smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN1CC[C@H](NC(=O)c2ccn(C)c2CC)[C@H]1CC ZINC001087726575 805780937 /nfs/dbraw/zinc/78/09/37/805780937.db2.gz KXFSRGKKZSKTPY-GOEBONIOSA-N 0 3 289.423 2.356 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)C[C@@H](C=C)CC)C2)CC1 ZINC001280389259 805917800 /nfs/dbraw/zinc/91/78/00/805917800.db2.gz AOEIZPFQRVTWND-HNNXBMFYSA-N 0 3 274.408 2.146 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccccc3)C[C@@H]2C1 ZINC001088173345 805964680 /nfs/dbraw/zinc/96/46/80/805964680.db2.gz KNAOPBOMCKLQTP-JQHSSLGASA-N 0 3 296.414 2.204 20 30 CEEDHN C=C1CCC(C(=O)N[C@@]2(CO)CCCN(C(C)C)C2)CC1 ZINC001271980541 806174044 /nfs/dbraw/zinc/17/40/44/806174044.db2.gz BANJVHROHHJZTA-KRWDZBQOSA-N 0 3 294.439 2.084 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)COCCCC ZINC001272016371 806277084 /nfs/dbraw/zinc/27/70/84/806277084.db2.gz QVQVBQMQFXOSDO-LSDHHAIUSA-N 0 3 280.412 2.054 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)ccn2C)[C@H]1C ZINC001088535152 806356936 /nfs/dbraw/zinc/35/69/36/806356936.db2.gz FVDUYEKILWDDEP-KGLIPLIRSA-N 0 3 275.396 2.102 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)[C@@](C)(F)CCCC ZINC001272049696 806381609 /nfs/dbraw/zinc/38/16/09/806381609.db2.gz SEHLCDQBDRLDDH-AWEZNQCLSA-N 0 3 258.381 2.481 20 30 CEEDHN CC/C(C)=C/C(=O)NCCNCc1ccc(C#N)s1 ZINC001126753404 806523267 /nfs/dbraw/zinc/52/32/67/806523267.db2.gz ZFOUEXOXIMESIA-DHZHZOJOSA-N 0 3 277.393 2.182 20 30 CEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)CCC)[C@H](OC)C1 ZINC001212055165 806524839 /nfs/dbraw/zinc/52/48/39/806524839.db2.gz BBYMVWMJSPVYDV-RRFJBIMHSA-N 0 3 282.428 2.204 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CCC3(F)F)[C@@H]2C1 ZINC001075929609 806572102 /nfs/dbraw/zinc/57/21/02/806572102.db2.gz ZRWQRECLNKFUGW-YNEHKIRRSA-N 0 3 284.350 2.141 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C2(C3CC3)CCC2)[C@H]1C ZINC001088775667 806714359 /nfs/dbraw/zinc/71/43/59/806714359.db2.gz HJMVQGWWSCZJBP-HIFRSBDPSA-N 0 3 274.408 2.169 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@]2(C)C=CCC2)[C@H]1C ZINC001088799917 806729478 /nfs/dbraw/zinc/72/94/78/806729478.db2.gz MAUXBUKDRMPNHB-IJEWVQPXSA-N 0 3 262.397 2.498 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2coc(C(F)F)c2)[C@H]1C ZINC001088820924 806769745 /nfs/dbraw/zinc/76/97/45/806769745.db2.gz SDWOTIWTEWQMNZ-PWSUYJOCSA-N 0 3 296.317 2.433 20 30 CEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H](F)C(C)C)C2)C1 ZINC001040339718 806790680 /nfs/dbraw/zinc/79/06/80/806790680.db2.gz CYKNNWLUEWVVHP-NVXWUHKLSA-N 0 3 294.414 2.318 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(F)c(C)c2)[C@H]1C ZINC001088830924 806795092 /nfs/dbraw/zinc/79/50/92/806795092.db2.gz LSJDEGQPFXVDFV-CJNGLKHVSA-N 0 3 288.366 2.350 20 30 CEEDHN N#CC(C(=O)CCn1ccc2ccccc21)C(=O)NC1CC1 ZINC000129208037 806960586 /nfs/dbraw/zinc/96/05/86/806960586.db2.gz VGFSWOUMLGPHAE-CQSZACIVSA-N 0 3 295.342 2.019 20 30 CEEDHN C=CCN(C)CCNC(=O)C/C=C/Cc1ccccc1 ZINC001266285226 802370828 /nfs/dbraw/zinc/37/08/28/802370828.db2.gz QYXQAYFJHRXMSY-BQYQJAHWSA-N 0 3 272.392 2.409 20 30 CEEDHN C=CCC[C@@H](C)N1CC[C@H](NC(=O)c2cncs2)C1 ZINC001266304866 802419399 /nfs/dbraw/zinc/41/93/99/802419399.db2.gz GUBLEJWSTIBFRC-NEPJUHHUSA-N 0 3 279.409 2.302 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1ccc2c(c1)CCO2 ZINC001167234224 802594582 /nfs/dbraw/zinc/59/45/82/802594582.db2.gz WYXGMBLUXVVKJY-UHFFFAOYSA-N 0 3 294.782 2.084 20 30 CEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001039179164 802660870 /nfs/dbraw/zinc/66/08/70/802660870.db2.gz YUBMYYUXLZRWDL-ZIAGYGMSSA-N 0 3 280.387 2.071 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC001041719882 802698696 /nfs/dbraw/zinc/69/86/96/802698696.db2.gz IOKJFWKLYJQNFH-WBVHZDCISA-N 0 3 276.424 2.226 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)C1(C)CCCC1 ZINC001266566893 802722239 /nfs/dbraw/zinc/72/22/39/802722239.db2.gz OJCNDFPBTYQNHY-UHFFFAOYSA-N 0 3 264.413 2.418 20 30 CEEDHN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](NCc2ccns2)C1 ZINC001266614443 802778546 /nfs/dbraw/zinc/77/85/46/802778546.db2.gz FIMCCLPRBQRPQJ-JHJVBQTASA-N 0 3 293.436 2.482 20 30 CEEDHN C=C(C)CN(CCNC(=O)CCc1cscn1)C1CC1 ZINC001266622011 802789664 /nfs/dbraw/zinc/78/96/64/802789664.db2.gz OJLFAPIUDREVLE-UHFFFAOYSA-N 0 3 293.436 2.232 20 30 CEEDHN CC#CCN[C@@H]1CN(C(=O)C2CCC2)C[C@H]1c1ccccc1 ZINC001211514954 802873337 /nfs/dbraw/zinc/87/33/37/802873337.db2.gz HFICDTLMBWHSDI-ZWKOTPCHSA-N 0 3 296.414 2.394 20 30 CEEDHN C=CCN(CCN1CC[C@@H](O)[C@H](C)C1)C(=O)OC(C)(C)C ZINC001207198213 802890581 /nfs/dbraw/zinc/89/05/81/802890581.db2.gz APOGCSVITFPBLM-ZIAGYGMSSA-N 0 3 298.427 2.112 20 30 CEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H](C)CCC ZINC001266837226 802933740 /nfs/dbraw/zinc/93/37/40/802933740.db2.gz LGGHGEDUUWKCQS-GJZGRUSLSA-N 0 3 264.413 2.417 20 30 CEEDHN CC[C@H](NCc1nc(C#N)cs1)[C@@H]1CCCOC1 ZINC000723952194 802973439 /nfs/dbraw/zinc/97/34/39/802973439.db2.gz BIRSKIYFSPFGJJ-PWSUYJOCSA-N 0 3 265.382 2.310 20 30 CEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)CC2CCC2)C1 ZINC001266893139 802973831 /nfs/dbraw/zinc/97/38/31/802973831.db2.gz PWJPGEQKXSKJCB-HOCLYGCPSA-N 0 3 276.424 2.417 20 30 CEEDHN N#Cc1cc(CNCCNC(=O)C=C2CCC2)ccc1F ZINC001125561913 803060206 /nfs/dbraw/zinc/06/02/06/803060206.db2.gz VONFGHCBIWRURF-UHFFFAOYSA-N 0 3 287.338 2.013 20 30 CEEDHN C=C[C@H](CC(=O)N(C)CCNCCF)c1ccccc1 ZINC001267105411 803132936 /nfs/dbraw/zinc/13/29/36/803132936.db2.gz FCYAMCDSVUZUHA-CQSZACIVSA-N 0 3 278.371 2.364 20 30 CEEDHN C=C(C)CCC(=O)NCC[C@H](C)N[C@@H](C)c1cnccn1 ZINC001267132265 803152698 /nfs/dbraw/zinc/15/26/98/803152698.db2.gz XWFSUYQOQIJMAK-KBPBESRZSA-N 0 3 290.411 2.378 20 30 CEEDHN C=CCN1CC=C(CCNC(=O)CCOCC(C)C)CC1 ZINC001159419724 813379525 /nfs/dbraw/zinc/37/95/25/813379525.db2.gz HHCSGEUARJFXSN-UHFFFAOYSA-N 0 3 294.439 2.374 20 30 CEEDHN C#CCCN(C)CCNC(=O)C1CCCCCC1 ZINC001267188683 803209694 /nfs/dbraw/zinc/20/96/94/803209694.db2.gz QVTJHHXNAZCTPV-UHFFFAOYSA-N 0 3 250.386 2.028 20 30 CEEDHN C#CCCN(C)CCNC(=O)CO[C@@H]1CCCC[C@H]1CC ZINC001267194180 803217316 /nfs/dbraw/zinc/21/73/16/803217316.db2.gz JZBZGHFUUYRHMI-HZPDHXFCSA-N 0 3 294.439 2.043 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)C[C@H]1Cc2ccccc2O1 ZINC001267198444 803223400 /nfs/dbraw/zinc/22/34/00/803223400.db2.gz PTGVTQQOVCMEHZ-OAHLLOKOSA-N 0 3 288.391 2.004 20 30 CEEDHN C=CCN(C)CCNC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001267209424 803233492 /nfs/dbraw/zinc/23/34/92/803233492.db2.gz YVQPWPLIOSENPV-UHFFFAOYSA-N 0 3 276.167 2.169 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NCCN(C)C[C@@H]1CC[C@H](C)O1 ZINC001267210468 803235204 /nfs/dbraw/zinc/23/52/04/803235204.db2.gz HRQWLRYUNWYZFR-KBPBESRZSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCN(C)CCNC(=O)c1cnc2ccccc2c1 ZINC001267218828 803241776 /nfs/dbraw/zinc/24/17/76/803241776.db2.gz GIABYTIMYDHOMN-UHFFFAOYSA-N 0 3 269.348 2.082 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)C1(c2ccccc2)CC1 ZINC001267228976 803257681 /nfs/dbraw/zinc/25/76/81/803257681.db2.gz CCXLNDMTFMKINC-UHFFFAOYSA-N 0 3 272.392 2.342 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1c(C)cccc1F ZINC001267232695 803264306 /nfs/dbraw/zinc/26/43/06/803264306.db2.gz BTMGJOZUBOGAIG-UHFFFAOYSA-N 0 3 264.344 2.372 20 30 CEEDHN C=CCN(CC)CCNC(=O)C[C@H]1CC=CCC1 ZINC001267247800 803289261 /nfs/dbraw/zinc/28/92/61/803289261.db2.gz WCXXBPBCKQFFGO-AWEZNQCLSA-N 0 3 250.386 2.357 20 30 CEEDHN C=CCCC(=O)NC[C@@H]1CCN(Cc2cccnc2C)C1 ZINC001267288191 803334425 /nfs/dbraw/zinc/33/44/25/803334425.db2.gz OMQWZNPAFCUKSB-HNNXBMFYSA-N 0 3 287.407 2.294 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001267296144 803341446 /nfs/dbraw/zinc/34/14/46/803341446.db2.gz HNKHYHCMVYAWNC-KBPBESRZSA-N 0 3 264.413 2.130 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001267310169 803354083 /nfs/dbraw/zinc/35/40/83/803354083.db2.gz RNEPIFUFOOVFSB-FUHWJXTLSA-N 0 3 298.430 2.327 20 30 CEEDHN C=CCN(CCNC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001267321674 803364396 /nfs/dbraw/zinc/36/43/96/803364396.db2.gz JKRPFTNJJJXJMW-UHFFFAOYSA-N 0 3 267.760 2.048 20 30 CEEDHN C=CCN[C@@H](CNC(=O)c1c[nH]c(C#N)c1)c1ccccc1 ZINC001267356613 803404375 /nfs/dbraw/zinc/40/43/75/803404375.db2.gz GJNHNGFLFRHBTD-INIZCTEOSA-N 0 3 294.358 2.133 20 30 CEEDHN C#CCNCCN(C)C(=O)c1ccc(C(F)F)cc1F ZINC001267446211 803467623 /nfs/dbraw/zinc/46/76/23/803467623.db2.gz OAJKLCIEVDCXQK-UHFFFAOYSA-N 0 3 284.281 2.058 20 30 CEEDHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc[nH]c1)C2 ZINC001140705887 803472224 /nfs/dbraw/zinc/47/22/24/803472224.db2.gz CBTVQTRQQXDDIH-JKSUJKDBSA-N 0 3 276.380 2.341 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccccc3)[C@@H]2C1 ZINC001075498143 803507555 /nfs/dbraw/zinc/50/75/55/803507555.db2.gz WUFGSRNPYYOHHD-LSDHHAIUSA-N 0 3 256.349 2.019 20 30 CEEDHN C#Cc1ccc(C(=O)N(CCC)[C@@H]2CCN(CC)C2)nc1 ZINC001267548445 803540442 /nfs/dbraw/zinc/54/04/42/803540442.db2.gz GBVLFUWHLMWQGO-OAHLLOKOSA-N 0 3 285.391 2.009 20 30 CEEDHN C=C1CCC(C(=O)N2CC[C@@H](CN(C)CCF)C2)CC1 ZINC001267590263 803576309 /nfs/dbraw/zinc/57/63/09/803576309.db2.gz VDWOAGZKTKCAJK-AWEZNQCLSA-N 0 3 282.403 2.483 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001267615948 803620424 /nfs/dbraw/zinc/62/04/24/803620424.db2.gz XMHLAAFEMYWDPD-ZIAGYGMSSA-N 0 3 264.413 2.273 20 30 CEEDHN C#CCCN1CC(CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001267688577 803658021 /nfs/dbraw/zinc/65/80/21/803658021.db2.gz OGRDBRKSWXSKMU-CYBMUJFWSA-N 0 3 264.413 2.130 20 30 CEEDHN C#CCCN1CC(CNC(=O)C2(CC#C)CCCCC2)C1 ZINC001267701670 803664931 /nfs/dbraw/zinc/66/49/31/803664931.db2.gz YEHXZBWGZAZQKB-UHFFFAOYSA-N 0 3 286.419 2.032 20 30 CEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CCC1 ZINC001267707103 803668598 /nfs/dbraw/zinc/66/85/98/803668598.db2.gz LVHXNHFMPJHXCS-GJZGRUSLSA-N 0 3 262.397 2.428 20 30 CEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)/C(C)=C/CC)C1 ZINC001267760668 803715822 /nfs/dbraw/zinc/71/58/22/803715822.db2.gz WYUPVFIJVGALHQ-KEQVLUGWSA-N 0 3 280.412 2.078 20 30 CEEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(CCCO)C2)CCCC1 ZINC001267779404 803730081 /nfs/dbraw/zinc/73/00/81/803730081.db2.gz QOXDAFDRSUOZNH-HNNXBMFYSA-N 0 3 294.439 2.038 20 30 CEEDHN C=C(C)C[NH2+]C[C@@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001267848302 803771956 /nfs/dbraw/zinc/77/19/56/803771956.db2.gz DZDRPGIKWPHTBY-QGZVFWFLSA-N 0 3 288.391 2.456 20 30 CEEDHN C#CCNCc1ccc(CNC(=O)Cc2occc2C)cc1 ZINC001267939203 803832033 /nfs/dbraw/zinc/83/20/33/803832033.db2.gz RLPJOGAHEJPPET-UHFFFAOYSA-N 0 3 296.370 2.170 20 30 CEEDHN C=C1CC(C)(C(=O)NC[C@@H](C)CNCc2cc(C)no2)C1 ZINC001268002181 803906858 /nfs/dbraw/zinc/90/68/58/803906858.db2.gz QTMVFTRAIPRMHT-LBPRGKRZSA-N 0 3 291.395 2.181 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CNCc2cnc(C)o2)C1 ZINC001026992020 803931763 /nfs/dbraw/zinc/93/17/63/803931763.db2.gz FKUYFQXCDOSBFR-ZDUSSCGKSA-N 0 3 291.395 2.133 20 30 CEEDHN COc1cc(CNCC2SCCS2)ccc1C#N ZINC000692821233 803958130 /nfs/dbraw/zinc/95/81/30/803958130.db2.gz YLVPJBCMULGTHK-UHFFFAOYSA-N 0 3 280.418 2.463 20 30 CEEDHN CC(=O)N1CCC[C@@H](N(C)Cc2ccc(F)c(C#N)c2)C1 ZINC001027255109 803995868 /nfs/dbraw/zinc/99/58/68/803995868.db2.gz AHADYRUFJRFWGE-OAHLLOKOSA-N 0 3 289.354 2.140 20 30 CEEDHN C=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001027307774 804032050 /nfs/dbraw/zinc/03/20/50/804032050.db2.gz YIBZBXIZDRUNSX-ZDUSSCGKSA-N 0 3 274.364 2.115 20 30 CEEDHN C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001027307774 804032056 /nfs/dbraw/zinc/03/20/56/804032056.db2.gz YIBZBXIZDRUNSX-ZDUSSCGKSA-N 0 3 274.364 2.115 20 30 CEEDHN C[C@H](C#N)C(=O)N1CCC[C@H](N(C)Cc2ccsc2)C1 ZINC001027330551 804040575 /nfs/dbraw/zinc/04/05/75/804040575.db2.gz SGJWTEVRDBNQPJ-OCCSQVGLSA-N 0 3 291.420 2.331 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2oc(C)cc2C)C1 ZINC001027355126 804049198 /nfs/dbraw/zinc/04/91/98/804049198.db2.gz QBNRKSAMCFQDPA-CQSZACIVSA-N 0 3 274.364 2.066 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(C)c(C)o2)C1 ZINC001027368187 804052961 /nfs/dbraw/zinc/05/29/61/804052961.db2.gz LNADCTCAMLWXCJ-AWEZNQCLSA-N 0 3 274.364 2.066 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CC(C)(C)C2CC2)C1 ZINC001027400234 804061663 /nfs/dbraw/zinc/06/16/63/804061663.db2.gz ODMKQWBXLWSPKY-OAHLLOKOSA-N 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C=CCN1CCCC[C@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001034211109 809553618 /nfs/dbraw/zinc/55/36/18/809553618.db2.gz XTEYQSJPOXYNGL-JYJNAYRXSA-N 0 3 294.439 2.204 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001034301174 809573560 /nfs/dbraw/zinc/57/35/60/809573560.db2.gz GNTIXLMWOVGERF-UXLLHSPISA-N 0 3 292.423 2.102 20 30 CEEDHN C#CCCN1CCCC[C@H](NC(=O)c2c(C)cncc2C)C1 ZINC001034307142 809575131 /nfs/dbraw/zinc/57/51/31/809575131.db2.gz KGRQDPRZAFRPTF-INIZCTEOSA-N 0 3 299.418 2.306 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001034409828 809600163 /nfs/dbraw/zinc/60/01/63/809600163.db2.gz VEIIWJALRJSCQF-QLFBSQMISA-N 0 3 280.412 2.101 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccc(C)nc2)C1 ZINC001034527698 809624858 /nfs/dbraw/zinc/62/48/58/809624858.db2.gz LDLQMFBTDSCKGS-INIZCTEOSA-N 0 3 287.407 2.089 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]1C)CC2 ZINC001035640724 809799486 /nfs/dbraw/zinc/79/94/86/809799486.db2.gz DAKYARFMRZQVCE-KBPBESRZSA-N 0 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C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1ccco1)C2 ZINC001096000843 811548911 /nfs/dbraw/zinc/54/89/11/811548911.db2.gz FRIFACNXTZDSOA-KBXIAJHMSA-N 0 3 286.375 2.128 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)Cc2ccsc2)cc1 ZINC001122953340 815458297 /nfs/dbraw/zinc/45/82/97/815458297.db2.gz OFPWIXZCOFGWIM-UHFFFAOYSA-N 0 3 299.399 2.068 20 30 CEEDHN Cc1cc(C#N)cnc1N1CCCc2ccc(CN)nc21 ZINC001169592387 811579788 /nfs/dbraw/zinc/57/97/88/811579788.db2.gz QBHCOMPEBMHJMW-UHFFFAOYSA-N 0 3 279.347 2.200 20 30 CEEDHN Cc1c(C#N)ccnc1N1CCCc2ccc(CN)nc21 ZINC001169583309 811588705 /nfs/dbraw/zinc/58/87/05/811588705.db2.gz BFEXMRPLADXMDD-UHFFFAOYSA-N 0 3 279.347 2.200 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001045456795 811614477 /nfs/dbraw/zinc/61/44/77/811614477.db2.gz DSFRIGDDJAQAAD-CABCVRRESA-N 0 3 294.439 2.204 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2Cc3ccccc32)CC1 ZINC001045540866 811624099 /nfs/dbraw/zinc/62/40/99/811624099.db2.gz IHVVICDXJMTBOD-QGZVFWFLSA-N 0 3 296.414 2.320 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2ccc(OC)cc2)CC1 ZINC001045628177 811633660 /nfs/dbraw/zinc/63/36/60/811633660.db2.gz UXHNDHUBJRLNKK-UHFFFAOYSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)c2ccccc2C)C1 ZINC001046114563 811688876 /nfs/dbraw/zinc/68/88/76/811688876.db2.gz LALXWUDUNGXPOI-INIZCTEOSA-N 0 3 258.365 2.375 20 30 CEEDHN CC1(C)CC(=O)C=C(Nc2cnc3c(c2)CNCC3)C1 ZINC001169951527 811723625 /nfs/dbraw/zinc/72/36/25/811723625.db2.gz KTESQFQYUSCGMR-UHFFFAOYSA-N 0 3 271.364 2.412 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2cc(C)cs2)C1 ZINC001046300209 811731301 /nfs/dbraw/zinc/73/13/01/811731301.db2.gz VSDBKMHSFZCVRW-HNNXBMFYSA-N 0 3 276.405 2.274 20 30 CEEDHN C=CCCN1CC[C@@](C)(NC(=O)c2scnc2CC)C1 ZINC001046361633 811742514 /nfs/dbraw/zinc/74/25/14/811742514.db2.gz HLNYGKRVCNVBNQ-OAHLLOKOSA-N 0 3 293.436 2.476 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)c2ccn3ccccc23)C1 ZINC001046476438 811761344 /nfs/dbraw/zinc/76/13/44/811761344.db2.gz YHMUNTIWSUFPHN-QGZVFWFLSA-N 0 3 283.375 2.320 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001046505287 811765219 /nfs/dbraw/zinc/76/52/19/811765219.db2.gz FJMIDHKEABWCJZ-CUSZFKRNSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC001046681589 811797904 /nfs/dbraw/zinc/79/79/04/811797904.db2.gz PTMSLDFOVADILD-FAJBIJEISA-N 0 3 296.414 2.339 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)c2ccc(OC)c(C)c2)C1 ZINC001046702852 811801155 /nfs/dbraw/zinc/80/11/55/811801155.db2.gz VDLXAWWKGJWHML-KRWDZBQOSA-N 0 3 288.391 2.384 20 30 CEEDHN C=C(C)CCN1CC[C@@](C)(NC(=O)c2nccs2)C1 ZINC001046724944 811806500 /nfs/dbraw/zinc/80/65/00/811806500.db2.gz SHAQSKFHKHFBSV-CQSZACIVSA-N 0 3 279.409 2.304 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001046827213 811824550 /nfs/dbraw/zinc/82/45/50/811824550.db2.gz NARJKIPLQGRJPH-IBGZPJMESA-N 0 3 296.414 2.393 20 30 CEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C1CCC1)C2 ZINC001109138170 811828747 /nfs/dbraw/zinc/82/87/47/811828747.db2.gz BKYAPZZAETVCLG-PMPSAXMXSA-N 0 3 290.407 2.021 20 30 CEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](C)OC ZINC001109343314 811863191 /nfs/dbraw/zinc/86/31/91/811863191.db2.gz SQCSJQVPSHJSIZ-XGUBFFRZSA-N 0 3 294.439 2.345 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cccnc1)C2 ZINC001109493423 811896810 /nfs/dbraw/zinc/89/68/10/811896810.db2.gz BBLIVJIOYNMECV-IKGGRYGDSA-N 0 3 299.418 2.312 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC)CCC1)C2 ZINC001109628133 811918774 /nfs/dbraw/zinc/91/87/74/811918774.db2.gz BYWBCTRCIHXDOP-ILXRZTDVSA-N 0 3 274.408 2.312 20 30 CEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC001112620065 812021992 /nfs/dbraw/zinc/02/19/92/812021992.db2.gz ZWYIVHLHPHYPTD-HZPDHXFCSA-N 0 3 294.439 2.445 20 30 CEEDHN CCCCCCCN1CCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC001112710484 812048565 /nfs/dbraw/zinc/04/85/65/812048565.db2.gz BZFLFNCAJOIDMS-UHFFFAOYSA-N 0 3 292.427 2.446 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCC[C@H](C)C3)C[C@@H]2C1 ZINC001049016869 812059470 /nfs/dbraw/zinc/05/94/70/812059470.db2.gz VHPJKDLLSSDELB-VVLHAWIVSA-N 0 3 288.435 2.226 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C3(C)CCCCC3)C[C@@H]2C1 ZINC001049028002 812060413 /nfs/dbraw/zinc/06/04/13/812060413.db2.gz SCOPCXLKLQJOKR-IYBDPMFKSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@]3(C)CC=C(C)CC3)C[C@@H]2C1 ZINC001049227768 812088289 /nfs/dbraw/zinc/08/82/89/812088289.db2.gz MODOFUFPQBDRGS-SOLBZPMBSA-N 0 3 286.419 2.146 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)c3ccccc3C)C[C@@H]2C1 ZINC001049228514 812088375 /nfs/dbraw/zinc/08/83/75/812088375.db2.gz FZJFNYLQBKJCQH-YESZJQIVSA-N 0 3 296.414 2.122 20 30 CEEDHN CC(C)OC(=O)CC[C@@H](C)N1CCC(C#N)CC1 ZINC001172750593 815502772 /nfs/dbraw/zinc/50/27/72/815502772.db2.gz QQESGPNTULDYMN-GFCCVEGCSA-N 0 3 252.358 2.342 20 30 CEEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC1CCCC1 ZINC001049305001 812112434 /nfs/dbraw/zinc/11/24/34/812112434.db2.gz UTPQCWRHLJIYCX-CVEARBPZSA-N 0 3 274.408 2.265 20 30 CEEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)on1 ZINC001049307617 812114491 /nfs/dbraw/zinc/11/44/91/812114491.db2.gz HWEAWGBGZCNUKE-GJZGRUSLSA-N 0 3 289.379 2.238 20 30 CEEDHN C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C ZINC001049321935 812117273 /nfs/dbraw/zinc/11/72/73/812117273.db2.gz KJXJQOHMHUJPED-CABCVRRESA-N 0 3 286.375 2.290 20 30 CEEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)/C=C(\C)C1CC1 ZINC001049338962 812124295 /nfs/dbraw/zinc/12/42/95/812124295.db2.gz LIMAVFXGHFKHRK-ZTMCPOQVSA-N 0 3 272.392 2.041 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnccc1C ZINC001049395604 812136114 /nfs/dbraw/zinc/13/61/14/812136114.db2.gz JRWDNAKXCZWYHP-JKSUJKDBSA-N 0 3 285.391 2.255 20 30 CEEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C1CCCC1 ZINC001123337892 815505373 /nfs/dbraw/zinc/50/53/73/815505373.db2.gz VUSNPBLQRSNSOF-SECBINFHSA-N 0 3 251.717 2.440 20 30 CEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCC2)C1 ZINC001086570452 812142624 /nfs/dbraw/zinc/14/26/24/812142624.db2.gz ZIKYEHDRRZMOTO-ZWKOTPCHSA-N 0 3 296.414 2.394 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(F)cn1 ZINC001049434485 812146239 /nfs/dbraw/zinc/14/62/39/812146239.db2.gz QKWZVEOCXNFWFF-GJZGRUSLSA-N 0 3 289.354 2.086 20 30 CEEDHN C#CCCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(F)CCCC1 ZINC001049560502 812168214 /nfs/dbraw/zinc/16/82/14/812168214.db2.gz DKKISGQHRGEOEA-GJZGRUSLSA-N 0 3 292.398 2.357 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1csc(C)n1 ZINC001049674126 812186250 /nfs/dbraw/zinc/18/62/50/812186250.db2.gz SUCLFUYKOMZCFZ-ZIAGYGMSSA-N 0 3 291.420 2.316 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(CC)CC1 ZINC001049705156 812195525 /nfs/dbraw/zinc/19/55/25/812195525.db2.gz SEBXJLPYEQMZNX-KBPBESRZSA-N 0 3 262.397 2.428 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC12CC2 ZINC001049755541 812205771 /nfs/dbraw/zinc/20/57/71/812205771.db2.gz QCLLTCCDZSCKSY-HZSPNIEDSA-N 0 3 260.381 2.038 20 30 CEEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001049782960 812209007 /nfs/dbraw/zinc/20/90/07/812209007.db2.gz SGDWJKGQWYDXLX-HZMVEIRTSA-N 0 3 286.419 2.121 20 30 CEEDHN COc1cc(O)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001139141285 812221735 /nfs/dbraw/zinc/22/17/35/812221735.db2.gz UJXCDOIRSUCZDY-CQSZACIVSA-N 0 3 291.372 2.175 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)Cc3cccs3)[C@@H]2C1 ZINC001049956421 812241222 /nfs/dbraw/zinc/24/12/22/812241222.db2.gz VKUNTUNSMNIIDT-DZGCQCFKSA-N 0 3 290.432 2.399 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1)C2 ZINC001096799299 812277643 /nfs/dbraw/zinc/27/76/43/812277643.db2.gz WJSCDWUYKFFVHO-MCIONIFRSA-N 0 3 260.337 2.191 20 30 CEEDHN CN1CC(CNc2ncc(C#N)c3oc(C(C)(C)C)nc32)C1 ZINC001170252945 812371896 /nfs/dbraw/zinc/37/18/96/812371896.db2.gz VERCPGZWQWSIRL-UHFFFAOYSA-N 0 3 299.378 2.365 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)c(C)n1)C2 ZINC001097551844 812374622 /nfs/dbraw/zinc/37/46/22/812374622.db2.gz UNLDGOSLESKWEH-OIISXLGYSA-N 0 3 297.402 2.057 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1C(C)C)C2 ZINC001097686845 812401893 /nfs/dbraw/zinc/40/18/93/812401893.db2.gz GDBBAVMTJFRLGN-BMFZPTHFSA-N 0 3 299.418 2.497 20 30 CEEDHN C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1[O-] ZINC001113866100 812417265 /nfs/dbraw/zinc/41/72/65/812417265.db2.gz AFHYDAUYXPMBAH-FOLVSLTJSA-N 0 3 286.375 2.018 20 30 CEEDHN C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1[O-] ZINC001113866100 812417270 /nfs/dbraw/zinc/41/72/70/812417270.db2.gz AFHYDAUYXPMBAH-FOLVSLTJSA-N 0 3 286.375 2.018 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC001052692696 812447420 /nfs/dbraw/zinc/44/74/20/812447420.db2.gz KMEJLSYRVMMVEQ-HLLBOEOZSA-N 0 3 274.408 2.171 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(CC#CC)CC2)C1 ZINC001052692714 812448303 /nfs/dbraw/zinc/44/83/03/812448303.db2.gz KSWAHHLEOLKVPI-HNNXBMFYSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC001052692699 812448508 /nfs/dbraw/zinc/44/85/08/812448508.db2.gz KMEJLSYRVMMVEQ-ZOBUZTSGSA-N 0 3 274.408 2.171 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)C2CC3(CC3)C2)CC1 ZINC001052699856 812450041 /nfs/dbraw/zinc/45/00/41/812450041.db2.gz DBMVTPFNKKEFDW-HNNXBMFYSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)Cc2ccccc2C)CC1 ZINC001052926023 812475910 /nfs/dbraw/zinc/47/59/10/812475910.db2.gz XYKNDDDDVOLJQI-KRWDZBQOSA-N 0 3 284.403 2.141 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC2)C1 ZINC001053058807 812487274 /nfs/dbraw/zinc/48/72/74/812487274.db2.gz ORCJOJVYTYQERG-CVEARBPZSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC2)C1 ZINC001053058809 812487362 /nfs/dbraw/zinc/48/73/62/812487362.db2.gz ORCJOJVYTYQERG-HZPDHXFCSA-N 0 3 274.408 2.123 20 30 CEEDHN CC#CCNCCNC(=O)c1cc(Cl)sc1Cl ZINC001129443133 812493778 /nfs/dbraw/zinc/49/37/78/812493778.db2.gz ILZWZAJRQCQTQY-UHFFFAOYSA-N 0 3 291.203 2.398 20 30 CEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C1CC=CC1)C2 ZINC001054107571 812537620 /nfs/dbraw/zinc/53/76/20/812537620.db2.gz CPDBOULNCOQFIF-GOSISDBHSA-N 0 3 286.419 2.290 20 30 CEEDHN C[C@H](C#N)C(=O)N1CCC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001054100416 812537734 /nfs/dbraw/zinc/53/77/34/812537734.db2.gz ZUZKNVLCKSGJGS-LXJUILQBSA-N 0 3 295.814 2.213 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cc[nH]c1CC)C2 ZINC001054127230 812542593 /nfs/dbraw/zinc/54/25/93/812542593.db2.gz YELLBSFNPCMEGV-SFHVURJKSA-N 0 3 299.418 2.138 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC13CCC3)C2 ZINC001054205697 812550148 /nfs/dbraw/zinc/55/01/48/812550148.db2.gz VTKZVUIWVNYKNZ-NVXWUHKLSA-N 0 3 286.419 2.124 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)C23CCC(CC2)C3)cc1 ZINC001130291618 812554533 /nfs/dbraw/zinc/55/45/33/812554533.db2.gz MYEXOWSTZLYCNY-UHFFFAOYSA-N 0 3 297.402 2.344 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001131160583 812644666 /nfs/dbraw/zinc/64/46/66/812644666.db2.gz VPTMDTMGXAJUPC-IAGOWNOFSA-N 0 3 284.403 2.299 20 30 CEEDHN C[C@@H](N)c1ccn(C(F)(F)c2cc(Cl)ncc2C#N)n1 ZINC001158349363 812669555 /nfs/dbraw/zinc/66/95/55/812669555.db2.gz ARSWDRKLFVQBGF-SSDOTTSWSA-N 0 3 297.696 2.420 20 30 CEEDHN CC1(CC(=O)NCCNCc2ccc(C#N)s2)CC1 ZINC001131475195 812677179 /nfs/dbraw/zinc/67/71/79/812677179.db2.gz GXPLQQLLWFUGFJ-UHFFFAOYSA-N 0 3 277.393 2.016 20 30 CEEDHN C=CCCC(=O)N1C[C@H](C)O[C@]2(CCN(CC(=C)C)C2)C1 ZINC001131645178 812700072 /nfs/dbraw/zinc/70/00/72/812700072.db2.gz CBRAHSNUXRIDAM-RDJZCZTQSA-N 0 3 292.423 2.221 20 30 CEEDHN C[C@]1(C(=O)NCCNCc2ccc(C#N)cc2)C[C@H]2C[C@H]2C1 ZINC001131708282 812708528 /nfs/dbraw/zinc/70/85/28/812708528.db2.gz GRURRIOGBKGRAG-VQFNDLOPSA-N 0 3 297.402 2.200 20 30 CEEDHN C=CCOC(=O)N1CCC(CN[C@@H](CC)CC#N)CC1 ZINC001255164292 812724530 /nfs/dbraw/zinc/72/45/30/812724530.db2.gz LDYWQELURKJACH-AWEZNQCLSA-N 0 3 279.384 2.303 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)CCOCC(C)C)CC[C@@H]1C ZINC001131824318 812733343 /nfs/dbraw/zinc/73/33/43/812733343.db2.gz AAOFJPPEQCHCSR-GJZGRUSLSA-N 0 3 282.428 2.204 20 30 CEEDHN C#C[C@H](CC)NCc1ccc(C(=O)NC2CC2)cc1 ZINC000809686398 812735428 /nfs/dbraw/zinc/73/54/28/812735428.db2.gz QWHKCKUNHZDBCQ-CQSZACIVSA-N 0 3 256.349 2.080 20 30 CEEDHN C=CCCC(=O)N[C@H]1CC[C@@H](C)N(CC(=C)C)C1 ZINC001131894956 812749102 /nfs/dbraw/zinc/74/91/02/812749102.db2.gz DOHIRCQHQNONLE-KGLIPLIRSA-N 0 3 250.386 2.498 20 30 CEEDHN C=CCCC(=O)N[C@@H]1CC[C@@H](C)N(CCOC(C)C)C1 ZINC001131895846 812752958 /nfs/dbraw/zinc/75/29/58/812752958.db2.gz MHMOTBLVHCNVNS-HUUCEWRRSA-N 0 3 282.428 2.347 20 30 CEEDHN C=CCCC(=O)N[C@H]1CC[C@H](C)N(CCOC(C)C)C1 ZINC001131895844 812753748 /nfs/dbraw/zinc/75/37/48/812753748.db2.gz MHMOTBLVHCNVNS-GJZGRUSLSA-N 0 3 282.428 2.347 20 30 CEEDHN C=CCCC(=O)N[C@H]1CC[C@H](C)N(CCOCC2CC2)C1 ZINC001131896825 812754308 /nfs/dbraw/zinc/75/43/08/812754308.db2.gz WBJOEYFSNRBIEP-HOCLYGCPSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)COC(C)(C)C)CC[C@H]1C ZINC001131977196 812764607 /nfs/dbraw/zinc/76/46/07/812764607.db2.gz UJTRSLSKAMMODQ-ZIAGYGMSSA-N 0 3 282.428 2.347 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3coc(C)n3)[C@@H]2C1 ZINC001050031450 812774587 /nfs/dbraw/zinc/77/45/87/812774587.db2.gz YDDDYEKOBLBUBA-DZGCQCFKSA-N 0 3 289.379 2.096 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C2(CC)CC2)CC[C@H]1C ZINC001132283137 812814762 /nfs/dbraw/zinc/81/47/62/812814762.db2.gz SKYPGWGFDXSQPQ-KGLIPLIRSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)C(F)F)CC[C@H]1C ZINC001132288788 812823005 /nfs/dbraw/zinc/82/30/05/812823005.db2.gz WUADVSKTHZXQCV-NEPJUHHUSA-N 0 3 286.366 2.270 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)C3(C4CC4)CCC3)C2)CC1 ZINC001050608093 812842204 /nfs/dbraw/zinc/84/22/04/812842204.db2.gz KDKXYYVLPIYJQS-UHFFFAOYSA-N 0 3 286.419 2.124 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@@H]3CCCC[C@@H]3C)C2)CC1 ZINC001050638663 812847461 /nfs/dbraw/zinc/84/74/61/812847461.db2.gz VOOMVLQXGBRZAN-JKSUJKDBSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)C(C)C)C2)CC1 ZINC001050687206 812850613 /nfs/dbraw/zinc/85/06/13/812850613.db2.gz ODZFZHUQEZYYHI-OAHLLOKOSA-N 0 3 276.424 2.226 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)c2cc(Cl)c[nH]2)CC1 ZINC001052195678 812945391 /nfs/dbraw/zinc/94/53/91/812945391.db2.gz NPWUTDTVMUHDQF-CYBMUJFWSA-N 0 3 293.798 2.276 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)c2csnc2C)CC1 ZINC001052310042 812969258 /nfs/dbraw/zinc/96/92/58/812969258.db2.gz AFRQSMYVLJIZEV-CYBMUJFWSA-N 0 3 291.420 2.059 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)c2coc(C)c2)CC1 ZINC001052336096 812977141 /nfs/dbraw/zinc/97/71/41/812977141.db2.gz JYTNDTWNJHXJIB-HNNXBMFYSA-N 0 3 274.364 2.196 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H]2CCC2(C)C)CC1 ZINC001052640282 813018107 /nfs/dbraw/zinc/01/81/07/813018107.db2.gz GHSZLKVRWSFPMG-HUUCEWRRSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2coc(C(F)F)c2)CC1 ZINC001052659138 813023007 /nfs/dbraw/zinc/02/30/07/813023007.db2.gz GXXOBIDKERLQKM-GFCCVEGCSA-N 0 3 296.317 2.435 20 30 CEEDHN CCC[C@@H]1C[C@H]1C(=O)NCCNCc1cccc(C#N)c1 ZINC001133528207 813103044 /nfs/dbraw/zinc/10/30/44/813103044.db2.gz CEKZVQYOBNKVBG-HZPDHXFCSA-N 0 3 285.391 2.200 20 30 CEEDHN C[C@@H](C#N)OCCN(C)CCOCc1ccccc1 ZINC000384315740 813118729 /nfs/dbraw/zinc/11/87/29/813118729.db2.gz UZYMYVLMHKPWBA-AWEZNQCLSA-N 0 3 262.353 2.064 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1C[C@H](C)O[C@H]1C ZINC000384939246 813126440 /nfs/dbraw/zinc/12/64/40/813126440.db2.gz QQZJGEBCSRICDO-KCQAQPDRSA-N 0 3 259.349 2.354 20 30 CEEDHN C#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1ocnc1C ZINC001134205162 813227863 /nfs/dbraw/zinc/22/78/63/813227863.db2.gz HBXHPXVQZSAOJF-STQMWFEESA-N 0 3 291.395 2.159 20 30 CEEDHN CC#CCNCCNC(=O)c1ccc(C)c2ccccc12 ZINC001134404960 813262766 /nfs/dbraw/zinc/26/27/66/813262766.db2.gz OJNZWMFVZDWYOU-UHFFFAOYSA-N 0 3 280.371 2.491 20 30 CEEDHN C=C(C)CN1CC[C@@]2(CCCN2C[C@@H]2CCC=CO2)C1=O ZINC001273442580 813340655 /nfs/dbraw/zinc/34/06/55/813340655.db2.gz BDMFCGAHFYDHOQ-RDJZCZTQSA-N 0 3 290.407 2.322 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CC2CCC2)CC[C@@H]1C ZINC001071398136 813391094 /nfs/dbraw/zinc/39/10/94/813391094.db2.gz AEWFODYQRUGHNL-GXTWGEPZSA-N 0 3 250.386 2.332 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccnn2CC)CC[C@@H]1C ZINC001071457291 813412268 /nfs/dbraw/zinc/41/22/68/813412268.db2.gz HSWIELLBMYKYJX-KBPBESRZSA-N 0 3 290.411 2.062 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@H]1CC[C@H](C)N(CC)C1 ZINC001071568755 813438973 /nfs/dbraw/zinc/43/89/73/813438973.db2.gz SCQRGHHDMQAUSP-KBPBESRZSA-N 0 3 275.396 2.277 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)c2onc(C)c2C)CC[C@@H]1C ZINC001071597612 813445535 /nfs/dbraw/zinc/44/55/35/813445535.db2.gz LTSAUSHWGYRMRM-FZMZJTMJSA-N 0 3 291.395 2.450 20 30 CEEDHN C=CCN1C[C@H](NC(=O)Cc2cncc(C)c2)CC[C@@H]1C ZINC001071712968 813468289 /nfs/dbraw/zinc/46/82/89/813468289.db2.gz WPYQLJZSHFNBBW-GOEBONIOSA-N 0 3 287.407 2.088 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)c2cccc3n[nH]cc32)CC[C@H]1C ZINC001071728372 813471725 /nfs/dbraw/zinc/47/17/25/813471725.db2.gz LSPVENCAVZAUGN-OLZOCXBDSA-N 0 3 298.390 2.332 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)[nH]c2C)CC[C@H]1C ZINC001071854737 813498855 /nfs/dbraw/zinc/49/88/55/813498855.db2.gz FKLFEHOOHFGDFJ-UKRRQHHQSA-N 0 3 287.407 2.238 20 30 CEEDHN C=CCCN1C[C@H](NC(=O)c2oncc2C)CC[C@@H]1C ZINC001071960750 813518713 /nfs/dbraw/zinc/51/87/13/813518713.db2.gz HYEUDZRCFMZIFK-QWHCGFSZSA-N 0 3 277.368 2.142 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C[C@H]3CCC[C@@H]3C)C2)C1 ZINC001072769148 813653359 /nfs/dbraw/zinc/65/33/59/813653359.db2.gz WAKQHYFABJUWLV-JKSUJKDBSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@H]1CC[C@@H](C)O1 ZINC000398096706 813656722 /nfs/dbraw/zinc/65/67/22/813656722.db2.gz FSONBAXKECRLMK-HIFRSBDPSA-N 0 3 259.349 2.356 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3CC[C@H]4C[C@H]4C3)C2)C1 ZINC001072879819 813680809 /nfs/dbraw/zinc/68/08/09/813680809.db2.gz ZKMYRGBFNSGVNX-ZNMIVQPWSA-N 0 3 274.408 2.143 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@]3(C)CCC[C@H]3C)C2)C1 ZINC001072958402 813701762 /nfs/dbraw/zinc/70/17/62/813701762.db2.gz AYHPXILVJHIURN-NVXWUHKLSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)C3CCCC3)C2)C1 ZINC001073118209 813727519 /nfs/dbraw/zinc/72/75/19/813727519.db2.gz JVEAQDWGJVXHDM-OAHLLOKOSA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(Cl)cn3)C2)C1 ZINC001073139594 813730376 /nfs/dbraw/zinc/73/03/76/813730376.db2.gz MHWYTFQPFXNZOC-UHFFFAOYSA-N 0 3 291.782 2.069 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C(C)(C)C(C)(F)F)C2)C1 ZINC001073153724 813732221 /nfs/dbraw/zinc/73/22/21/813732221.db2.gz GXSDNVQVZKMMGP-UHFFFAOYSA-N 0 3 286.366 2.388 20 30 CEEDHN N#Cc1cccc(Cl)c1CN1CC(N2CCCC2)C1 ZINC001143726082 813867675 /nfs/dbraw/zinc/86/76/75/813867675.db2.gz FGQMHLYULDISRI-UHFFFAOYSA-N 0 3 275.783 2.492 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c([nH]1)CCC3)C2 ZINC001098200946 813913415 /nfs/dbraw/zinc/91/34/15/813913415.db2.gz RCEDUJAYCOXZCK-UNEWFSDZSA-N 0 3 299.418 2.415 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cncc(CC)c2)C1 ZINC001098944137 813964861 /nfs/dbraw/zinc/96/48/61/813964861.db2.gz AYBCLEOWHPNWFU-WMZOPIPTSA-N 0 3 299.418 2.414 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CC3(CC3)C2)C1 ZINC001099022040 813978178 /nfs/dbraw/zinc/97/81/78/813978178.db2.gz APPOWKWYFPSLBQ-YOEHRIQHSA-N 0 3 274.408 2.333 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001099072897 813985492 /nfs/dbraw/zinc/98/54/92/813985492.db2.gz GWNKYQNEMMHDJQ-MPTYRVRUSA-N 0 3 274.408 2.189 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CC(C)C)CC2(CCOCC2)C1 ZINC001099562150 814012664 /nfs/dbraw/zinc/01/26/64/814012664.db2.gz PEQNASWNLGFMMO-OAHLLOKOSA-N 0 3 294.439 2.206 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)CCCCC(C)C)[C@H](O)C1 ZINC001100048983 814055858 /nfs/dbraw/zinc/05/58/58/814055858.db2.gz VJSFXTWKSSHEQD-JKSUJKDBSA-N 0 3 296.455 2.330 20 30 CEEDHN Cc1cnc(CN[C@@H](C)Cc2cccc(C#N)c2)cn1 ZINC001171175222 814056420 /nfs/dbraw/zinc/05/64/20/814056420.db2.gz IWJIBFUXRDNSKH-LBPRGKRZSA-N 0 3 266.348 2.378 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)Nc1ccc(CN)nc1 ZINC001171192601 814086102 /nfs/dbraw/zinc/08/61/02/814086102.db2.gz PAFZUIUZKWNVFR-GFCCVEGCSA-N 0 3 266.348 2.455 20 30 CEEDHN CC#CCNCCNC(=O)c1cccc2ccsc21 ZINC001146661013 814302744 /nfs/dbraw/zinc/30/27/44/814302744.db2.gz ODSDAOYGRWDKJH-UHFFFAOYSA-N 0 3 272.373 2.244 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C(F)=C(C)C)C[C@]2(C)C1 ZINC001091590477 814309272 /nfs/dbraw/zinc/30/92/72/814309272.db2.gz SGLXFRZTOQOJDD-CJNGLKHVSA-N 0 3 278.371 2.053 20 30 CEEDHN C#CCCCC(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001101916666 814338140 /nfs/dbraw/zinc/33/81/40/814338140.db2.gz JKWQWDPRUWTJCE-RTIZMKJZSA-N 0 3 282.815 2.227 20 30 CEEDHN C=CCCC(=O)N1CC2(C1)CCN(Cc1cnccc1C)C2 ZINC001147158485 814393340 /nfs/dbraw/zinc/39/33/40/814393340.db2.gz COYKDKUMLAOWHU-UHFFFAOYSA-N 0 3 299.418 2.391 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C=C(CC)CC)C2)C1 ZINC001147341033 814423100 /nfs/dbraw/zinc/42/31/00/814423100.db2.gz WIAPVMRNHPPEAF-UHFFFAOYSA-N 0 3 274.408 2.290 20 30 CEEDHN COc1cc(CN2CCN(C)C(C)(C)C2)ccc1C#N ZINC000234981984 814515981 /nfs/dbraw/zinc/51/59/81/814515981.db2.gz OXEXHPNXVDUXJT-UHFFFAOYSA-N 0 3 273.380 2.093 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](CC)CCC)C2)C1 ZINC001148496032 814574414 /nfs/dbraw/zinc/57/44/14/814574414.db2.gz FKMZYRIGTTYCHX-HNNXBMFYSA-N 0 3 276.424 2.370 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCC(F)F)C1 ZINC001111810738 814612909 /nfs/dbraw/zinc/61/29/09/814612909.db2.gz NXVMYEWTXTYMTR-WFASDCNBSA-N 0 3 284.350 2.026 20 30 CEEDHN CCCCCCCCCC(=O)NCCN[C@@H](CC)C(N)=O ZINC001148820069 814617799 /nfs/dbraw/zinc/61/77/99/814617799.db2.gz CFQHYEUHULANOD-AWEZNQCLSA-N 0 3 299.459 2.097 20 30 CEEDHN C=CCCCC(=O)N[C@]12CCC[C@H]1CN(CC#CC)C2 ZINC001111859888 814621440 /nfs/dbraw/zinc/62/14/40/814621440.db2.gz GEFOSZWKMIDMNI-RDJZCZTQSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3CC34CC4)C2)CC1 ZINC001086945064 814652575 /nfs/dbraw/zinc/65/25/75/814652575.db2.gz QJAQSUOMIDHRQC-LSDHHAIUSA-N 0 3 286.419 2.123 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)C(C)(C)C)C[C@]2(C)C1 ZINC001091787106 814671915 /nfs/dbraw/zinc/67/19/15/814671915.db2.gz QYWXMQSEEUHPRC-CPUCHLNUSA-N 0 3 276.424 2.082 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc(C)[nH]c3C)C[C@]2(C)C1 ZINC001092052320 814687964 /nfs/dbraw/zinc/68/79/64/814687964.db2.gz HXPPXQADCVJMEH-QAPCUYQASA-N 0 3 299.418 2.049 20 30 CEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H](C)CCCC)C1 ZINC001149646621 814719967 /nfs/dbraw/zinc/71/99/67/814719967.db2.gz NWLHLPDPTMOWIF-HOTGVXAUSA-N 0 3 294.439 2.043 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCN2CCF)C1 ZINC001036788373 814908864 /nfs/dbraw/zinc/90/88/64/814908864.db2.gz ALVCXMWNXPFTQZ-QWHCGFSZSA-N 0 3 268.376 2.091 20 30 CEEDHN Cn1cc2c(n1)CCN(C1CCC(CC#N)CC1)C2 ZINC001173337858 815682239 /nfs/dbraw/zinc/68/22/39/815682239.db2.gz UQENQJOVRPWIRX-UHFFFAOYSA-N 0 3 258.369 2.251 20 30 CEEDHN CCOC(=O)[C@@H]1CCCN1C1CCC(CC#N)CC1 ZINC001173338085 815682796 /nfs/dbraw/zinc/68/27/96/815682796.db2.gz WTVRMOGLGVRNDR-RUXDESIVSA-N 0 3 264.369 2.486 20 30 CEEDHN CCCCN(CCC#N)[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173761971 815814224 /nfs/dbraw/zinc/81/42/24/815814224.db2.gz XNHXVIKCENDNKH-ZIAGYGMSSA-N 0 3 276.388 2.173 20 30 CEEDHN C=CCc1cccc(C[N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c1[O-] ZINC001138628226 815848620 /nfs/dbraw/zinc/84/86/20/815848620.db2.gz QSGIMOIHXKREHM-GOEBONIOSA-N 0 3 272.392 2.257 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c1[O-] ZINC001138628226 815848628 /nfs/dbraw/zinc/84/86/28/815848628.db2.gz QSGIMOIHXKREHM-GOEBONIOSA-N 0 3 272.392 2.257 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)c1[O-] ZINC001138625968 815850189 /nfs/dbraw/zinc/85/01/89/815850189.db2.gz YVBJEQOQOSLTQZ-HUUCEWRRSA-N 0 3 279.355 2.416 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c1[O-] ZINC001138625968 815850198 /nfs/dbraw/zinc/85/01/98/815850198.db2.gz YVBJEQOQOSLTQZ-HUUCEWRRSA-N 0 3 279.355 2.416 20 30 CEEDHN Cc1nc(C#N)cnc1Nc1ccccc1CN(C)C ZINC001173930376 815862476 /nfs/dbraw/zinc/86/24/76/815862476.db2.gz UXFSFIMMCSXMHL-UHFFFAOYSA-N 0 3 267.336 2.462 20 30 CEEDHN C=CCN(C)Cc1ccccc1N1CCC(O)CC1 ZINC001138762361 815890046 /nfs/dbraw/zinc/89/00/46/815890046.db2.gz SIYXJYKDVGIVAS-UHFFFAOYSA-N 0 3 260.381 2.266 20 30 CEEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)[C@H]2CCCO2)CC1 ZINC001161184859 815993705 /nfs/dbraw/zinc/99/37/05/815993705.db2.gz LVVWTPZBAMFEBV-GOEBONIOSA-N 0 3 292.423 2.126 20 30 CEEDHN Cc1ccc(CN2CCC3(CCC(=O)N3)CC2)cc1C#N ZINC001139727433 816096417 /nfs/dbraw/zinc/09/64/17/816096417.db2.gz QQLKYDOLOWWQQP-UHFFFAOYSA-N 0 3 283.375 2.111 20 30 CEEDHN Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3C)cc1C#N ZINC001139725222 816096831 /nfs/dbraw/zinc/09/68/31/816096831.db2.gz HOABNFDRFWYMPD-HZPDHXFCSA-N 0 3 283.375 2.062 20 30 CEEDHN C=CCn1cc(CN2CCCC[C@@H](C(=O)OCC)C2)cn1 ZINC001139770982 816111661 /nfs/dbraw/zinc/11/16/61/816111661.db2.gz JJKNQMMVAYXERB-OAHLLOKOSA-N 0 3 291.395 2.234 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)Oc1ccccc1 ZINC001175164142 816149739 /nfs/dbraw/zinc/14/97/39/816149739.db2.gz DMMGEWQVDADPAM-CYBMUJFWSA-N 0 3 296.798 2.302 20 30 CEEDHN Cn1cnc(N=C2CCN(Cc3ccccc3)CC2)c1C#N ZINC001175505382 816217226 /nfs/dbraw/zinc/21/72/26/816217226.db2.gz OBDIQCWNTUOZLA-UHFFFAOYSA-N 0 3 293.374 2.493 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(COC)cc1 ZINC001175754124 816278606 /nfs/dbraw/zinc/27/86/06/816278606.db2.gz UEWZDMBBTGGWKW-UHFFFAOYSA-N 0 3 296.798 2.295 20 30 CEEDHN CC(C)C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001178135163 816692503 /nfs/dbraw/zinc/69/25/03/816692503.db2.gz UYZFWDITJHRLBJ-RDJZCZTQSA-N 0 3 284.403 2.273 20 30 CEEDHN C#CCCCC(=O)N1CC[C@H](NCc2cncs2)[C@@H]1C ZINC001178581831 816762418 /nfs/dbraw/zinc/76/24/18/816762418.db2.gz BZCTWLWVMFVESA-JSGCOSHPSA-N 0 3 291.420 2.026 20 30 CEEDHN O=C1C=C2CN(Cc3ccc4nccn4c3)CCC2S1 ZINC001143023309 816773826 /nfs/dbraw/zinc/77/38/26/816773826.db2.gz YAJLUKDIDOZOJH-ZDUSSCGKSA-N 0 3 285.372 2.108 20 30 CEEDHN C=CCCC(=O)NC[C@H]1CN(CC=C(C)C)CCCO1 ZINC001149362384 816853603 /nfs/dbraw/zinc/85/36/03/816853603.db2.gz QGYLSHAIQFWXES-HNNXBMFYSA-N 0 3 280.412 2.126 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000336350526 365561450 /nfs/dbraw/zinc/56/14/50/365561450.db2.gz QWVODOWZSIPPAA-DZGCQCFKSA-N 0 3 277.412 2.387 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(CCc2ccccc2)CC1 ZINC000121521594 365579604 /nfs/dbraw/zinc/57/96/04/365579604.db2.gz BTDLJXYRJVKIQD-GOSISDBHSA-N 0 3 288.435 2.174 20 30 CEEDHN N#Cc1cc(NCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000127801071 187333737 /nfs/dbraw/zinc/33/37/37/187333737.db2.gz OWUBPLDVHGTMCC-UHFFFAOYSA-N 0 3 274.324 2.364 20 30 CEEDHN C[C@@H]1C[C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])CCN1C ZINC000124838140 187157184 /nfs/dbraw/zinc/15/71/84/187157184.db2.gz OQHRNDRMGCDIME-ZYHUDNBSSA-N 0 3 274.324 2.361 20 30 CEEDHN C=CCCOCCNC(=O)NCCN1CCCC[C@@H]1CC ZINC000124205657 365646491 /nfs/dbraw/zinc/64/64/91/365646491.db2.gz LLFXCNCLSVUQDO-HNNXBMFYSA-N 0 3 297.443 2.143 20 30 CEEDHN CC[C@H]1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000125604756 365681269 /nfs/dbraw/zinc/68/12/69/365681269.db2.gz GEWOASJFBFZDTD-KBPBESRZSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC(CC3CC3)C2)CC1 ZINC000621456523 349606637 /nfs/dbraw/zinc/60/66/37/349606637.db2.gz KLKLGXAIRCFWHM-UHFFFAOYSA-N 0 3 277.412 2.078 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H]2C(F)F)cc1 ZINC000601603739 346858325 /nfs/dbraw/zinc/85/83/25/346858325.db2.gz MGBBELDPYISDNB-OLZOCXBDSA-N 0 3 289.285 2.107 20 30 CEEDHN COc1cc(CN(C)C)ccc1NC(=O)C(C)(C)C#N ZINC000601620223 346862925 /nfs/dbraw/zinc/86/29/25/346862925.db2.gz IDLZSQCYEAOZBZ-UHFFFAOYSA-N 0 3 275.352 2.245 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000337968486 214335599 /nfs/dbraw/zinc/33/55/99/214335599.db2.gz FKAQFPXNMXHRFT-LRDDRELGSA-N 0 3 285.391 2.325 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)C2(C#N)CC3(CC3)C2)C1 ZINC000601667794 346873628 /nfs/dbraw/zinc/87/36/28/346873628.db2.gz WUKYDTIYPGMKHW-LBPRGKRZSA-N 0 3 275.396 2.059 20 30 CEEDHN CC(C#N)C(=O)N1CCC2(CCSCC2)CC1 ZINC000601737869 346889322 /nfs/dbraw/zinc/88/93/22/346889322.db2.gz FKKMYEVKGHRKPH-NSHDSACASA-N 0 3 252.383 2.282 20 30 CEEDHN C=CCN(C(=O)c1cccc2c1CCNC2)C1CC1 ZINC000124386095 539192553 /nfs/dbraw/zinc/19/25/53/539192553.db2.gz PYNBPQPSVJZHLV-UHFFFAOYSA-N 0 3 256.349 2.123 20 30 CEEDHN C=CCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000080621640 344017337 /nfs/dbraw/zinc/01/73/37/344017337.db2.gz OSKFCCBIEPHUET-OAHLLOKOSA-N 0 3 273.380 2.088 20 30 CEEDHN CC(C)N1C[C@H](NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1=O ZINC000329682709 539246628 /nfs/dbraw/zinc/24/66/28/539246628.db2.gz SPBREYADBNQUOK-YIYPIFLZSA-N 0 3 295.427 2.214 20 30 CEEDHN Cc1nccn1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353384155 282209512 /nfs/dbraw/zinc/20/95/12/282209512.db2.gz KKYCVZHGCNMZAT-MRXNPFEDSA-N 0 3 266.348 2.340 20 30 CEEDHN CC(C)(O)C(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000601882710 346921577 /nfs/dbraw/zinc/92/15/77/346921577.db2.gz KQOGSXKKNIISTP-AWEZNQCLSA-N 0 3 288.391 2.425 20 30 CEEDHN CN(C)[C@H](CNC(=O)C1(C#N)CCCC1)Cc1ccccc1 ZINC000041949290 362052834 /nfs/dbraw/zinc/05/28/34/362052834.db2.gz OZNAAVBDZOWMHA-INIZCTEOSA-N 0 3 299.418 2.359 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000126382840 187236223 /nfs/dbraw/zinc/23/62/23/187236223.db2.gz IBRVOCOHULAPMC-LSDHHAIUSA-N 0 3 299.418 2.075 20 30 CEEDHN C#CCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000021903483 343378185 /nfs/dbraw/zinc/37/81/85/343378185.db2.gz KOTVHAGRBVRLIH-UHFFFAOYSA-N 0 3 256.349 2.036 20 30 CEEDHN C[C@H](CNC(=O)CCc1ccc(C#N)cc1)N1CCCC1 ZINC000042507315 343452053 /nfs/dbraw/zinc/45/20/53/343452053.db2.gz VFRCDIRPNMSXOO-CQSZACIVSA-N 0 3 285.391 2.091 20 30 CEEDHN N#CC1(C[C@H](O)CN2CC3(C2)CCCCC3)CCOCC1 ZINC000601957455 346943225 /nfs/dbraw/zinc/94/32/25/346943225.db2.gz JTMZRCZEJLWJDS-HNNXBMFYSA-N 0 3 292.423 2.324 20 30 CEEDHN CCCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1CC1 ZINC000046092988 343492675 /nfs/dbraw/zinc/49/26/75/343492675.db2.gz NJHNARKEDFSUFR-HNNXBMFYSA-N 0 3 265.401 2.305 20 30 CEEDHN N#Cc1cc2c(nc1N[C@@H]1CCN(C3CC3)C1)CCC2 ZINC000044417345 343471295 /nfs/dbraw/zinc/47/12/95/343471295.db2.gz QFOCHDWHUQGWHY-CYBMUJFWSA-N 0 3 268.364 2.091 20 30 CEEDHN C#CCN1CCC(C(=O)NCCCc2ccccc2)CC1 ZINC000050024846 343541247 /nfs/dbraw/zinc/54/12/47/343541247.db2.gz VJSDTHSWCWBUCJ-UHFFFAOYSA-N 0 3 284.403 2.081 20 30 CEEDHN N#Cc1ccc(CNC[C@H](O)Cc2cccc(F)c2)s1 ZINC000295029003 199308159 /nfs/dbraw/zinc/30/81/59/199308159.db2.gz DAJWLPFUDNCNHP-CYBMUJFWSA-N 0 3 290.363 2.452 20 30 CEEDHN C[C@@H](N(C)Cc1ccc(C#N)cc1F)C(C)(C)O ZINC000295056738 199323157 /nfs/dbraw/zinc/32/31/57/199323157.db2.gz BOSRBDDEUUABBJ-SNVBAGLBSA-N 0 3 250.317 2.289 20 30 CEEDHN C[C@H](NCCOc1ccccc1C#N)c1cn[nH]c1 ZINC000273920344 192364019 /nfs/dbraw/zinc/36/40/19/192364019.db2.gz BJBBPPTXEPIOEA-NSHDSACASA-N 0 3 256.309 2.011 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc(C)ccc2F)CC1 ZINC000067706464 343742246 /nfs/dbraw/zinc/74/22/46/343742246.db2.gz YVZZHEDSLYZRED-UHFFFAOYSA-N 0 3 274.339 2.418 20 30 CEEDHN C=CCOc1ccc(C(=O)NCCN(C)C2CC2)cc1 ZINC000066924191 343725713 /nfs/dbraw/zinc/72/57/13/343725713.db2.gz FCIIBBGBZYJUMZ-UHFFFAOYSA-N 0 3 274.364 2.075 20 30 CEEDHN CC(C)N1CCCN(C(=O)NCC#Cc2ccccc2)CC1 ZINC000069762595 343790887 /nfs/dbraw/zinc/79/08/87/343790887.db2.gz NFQNSYWSVYRIMT-UHFFFAOYSA-N 0 3 299.418 2.164 20 30 CEEDHN CC1(C#N)CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000602146129 346982051 /nfs/dbraw/zinc/98/20/51/346982051.db2.gz VHFMLBHQXWSPJK-CQSZACIVSA-N 0 3 275.396 2.156 20 30 CEEDHN C[C@@H]1C[C@H](Nc2cnc(C#N)cn2)CN1Cc1ccccc1 ZINC000126981769 187275119 /nfs/dbraw/zinc/27/51/19/187275119.db2.gz VMAKUJQFWLSTIU-HIFRSBDPSA-N 0 3 293.374 2.423 20 30 CEEDHN C[C@@H](CNC(=O)CCc1ccc(C#N)cc1)N(C)C1CC1 ZINC000075577862 343858059 /nfs/dbraw/zinc/85/80/59/343858059.db2.gz LVLMEJXBWVOIBZ-ZDUSSCGKSA-N 0 3 285.391 2.090 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1CCC(OC)CC1 ZINC000077248126 343914194 /nfs/dbraw/zinc/91/41/94/343914194.db2.gz WKGSGIAKRPYAKU-UHFFFAOYSA-N 0 3 290.363 2.056 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)NCC#Cc1ccccc1 ZINC000077741922 343931251 /nfs/dbraw/zinc/93/12/51/343931251.db2.gz STKJHXZAQDWUAM-MRXNPFEDSA-N 0 3 299.418 2.212 20 30 CEEDHN C=CCOc1ccc(C(=O)NC[C@@H]2CCCN2C)cc1 ZINC000049095962 362337581 /nfs/dbraw/zinc/33/75/81/362337581.db2.gz UDXFIOZWWQUEMH-AWEZNQCLSA-N 0 3 274.364 2.075 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(CC(=O)N(CC)CC)CC1 ZINC000091507207 344166494 /nfs/dbraw/zinc/16/64/94/344166494.db2.gz GCYUASGIMURRAD-MRXNPFEDSA-N 0 3 295.471 2.217 20 30 CEEDHN C=CCCC[C@@H](C)N1CCC(O)(C(=O)OCC)CC1 ZINC000091589562 344167679 /nfs/dbraw/zinc/16/76/79/344167679.db2.gz OBFHXNKBJUJFLP-CYBMUJFWSA-N 0 3 269.385 2.121 20 30 CEEDHN C[C@H](O)C[C@H]1CCCN1Cc1cc(C#N)cs1 ZINC000093483203 344225472 /nfs/dbraw/zinc/22/54/72/344225472.db2.gz WQGHXENUGWUFLF-CMPLNLGQSA-N 0 3 250.367 2.355 20 30 CEEDHN CCN(C[C@H](C)CCC#N)[C@@H](C)CS(=O)(=O)CC ZINC000602467400 347045165 /nfs/dbraw/zinc/04/51/65/347045165.db2.gz GIKLOCOTXPNORC-OLZOCXBDSA-N 0 3 274.430 2.071 20 30 CEEDHN N#Cc1ccc(CN2CCN(c3ccncc3)CC2)cc1 ZINC000161286256 344463778 /nfs/dbraw/zinc/46/37/78/344463778.db2.gz NPRZHSYDTJNMNW-UHFFFAOYSA-N 0 3 278.359 2.275 20 30 CEEDHN C[C@H](CCC#N)CN(C)CC(=O)NCc1ccccc1 ZINC000602478938 347052433 /nfs/dbraw/zinc/05/24/33/347052433.db2.gz VLVVWUNTPHKXAF-CQSZACIVSA-N 0 3 273.380 2.174 20 30 CEEDHN N#CCc1ccc(OC[C@@H](O)CNCc2ccccc2)cc1 ZINC000225884209 344548155 /nfs/dbraw/zinc/54/81/55/344548155.db2.gz VKJPIAKQKWVKCD-KRWDZBQOSA-N 0 3 296.370 2.282 20 30 CEEDHN CN(Cc1ccco1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000347995533 530007807 /nfs/dbraw/zinc/00/78/07/530007807.db2.gz RJEVMFYAUHTYST-OAHLLOKOSA-N 0 3 293.326 2.492 20 30 CEEDHN N#Cc1cccc(CNCCCOCC(F)(F)F)n1 ZINC000602507231 347061101 /nfs/dbraw/zinc/06/11/01/347061101.db2.gz DNMYNSLPIJDRFF-UHFFFAOYSA-N 0 3 273.258 2.012 20 30 CEEDHN C[C@H](CNC(=O)c1sccc1C#N)N1CCC(C)CC1 ZINC000052050508 362463290 /nfs/dbraw/zinc/46/32/90/362463290.db2.gz DCSCGTOQWDNPLU-GFCCVEGCSA-N 0 3 291.420 2.470 20 30 CEEDHN N#CCc1cccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000264469822 344657316 /nfs/dbraw/zinc/65/73/16/344657316.db2.gz GEYIGLMFYMJIID-QGZVFWFLSA-N 0 3 297.402 2.453 20 30 CEEDHN CCc1nc(C#N)cc(NCCN2CCCCCC2)n1 ZINC000308280325 344726860 /nfs/dbraw/zinc/72/68/60/344726860.db2.gz XFORVTXFWWFRLC-UHFFFAOYSA-N 0 3 273.384 2.199 20 30 CEEDHN Cc1ccccc1OC[C@H](O)CNCc1cccc(C#N)c1 ZINC000314761321 344746293 /nfs/dbraw/zinc/74/62/93/344746293.db2.gz VMNWGYCTIGIWEM-QGZVFWFLSA-N 0 3 296.370 2.396 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC1(Cc2ccccc2)CC1 ZINC000297626656 344696359 /nfs/dbraw/zinc/69/63/59/344696359.db2.gz XYUVMMXQOSSQNZ-UHFFFAOYSA-N 0 3 299.418 2.016 20 30 CEEDHN CN1CC=C(CNC(=O)CC2(O)CCCCC2)CC1 ZINC000329179718 530047244 /nfs/dbraw/zinc/04/72/44/530047244.db2.gz DCOVLYXVQOELPD-UHFFFAOYSA-N 0 3 266.385 2.290 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCO[C@]3(CCSC3)C2)n1 ZINC000602566640 347081044 /nfs/dbraw/zinc/08/10/44/347081044.db2.gz AELCEZVPLRCFBY-SWLSCSKDSA-N 0 3 289.404 2.098 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@@H](c2ccsc2)C[C@@H]1C ZINC000364763494 344812228 /nfs/dbraw/zinc/81/22/28/344812228.db2.gz ZRBOFUZDYSUJIB-OBJOEFQTSA-N 0 3 276.405 2.064 20 30 CEEDHN CCO[C@@H](CCNCc1cccc(C#N)n1)C(C)C ZINC000602571435 347082728 /nfs/dbraw/zinc/08/27/28/347082728.db2.gz VYAMDZQYXUWIQB-HNNXBMFYSA-N 0 3 261.369 2.494 20 30 CEEDHN C#C[C@@H](CC)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000491147280 344909658 /nfs/dbraw/zinc/90/96/58/344909658.db2.gz QWCSLTKPNFDGMM-ZDUSSCGKSA-N 0 3 289.379 2.160 20 30 CEEDHN C[C@@H]1SCCN(C[C@H](O)c2ccc(C#N)cc2)[C@H]1C ZINC000127299459 187294985 /nfs/dbraw/zinc/29/49/85/187294985.db2.gz UIMIGYGOKPVADW-HUBLWGQQSA-N 0 3 276.405 2.417 20 30 CEEDHN C[C@H](C#N)CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000584746284 344982587 /nfs/dbraw/zinc/98/25/87/344982587.db2.gz FRCLTWXGNBVZMC-CYBMUJFWSA-N 0 3 268.364 2.276 20 30 CEEDHN CC[C@H](CC#N)NC1CCN(c2ccccn2)CC1 ZINC000054183532 362517593 /nfs/dbraw/zinc/51/75/93/362517593.db2.gz UNVJQOKUGJNKLO-CYBMUJFWSA-N 0 3 258.369 2.332 20 30 CEEDHN N#CCCCCCC(=O)NC1CCN(C2CC2)CC1 ZINC000588267453 345043984 /nfs/dbraw/zinc/04/39/84/345043984.db2.gz RTAUALGPMGEIQZ-UHFFFAOYSA-N 0 3 263.385 2.203 20 30 CEEDHN N#C[C@H]1CCC[C@H]1NCCc1ccc2c(c1)OCCO2 ZINC000054823695 362539017 /nfs/dbraw/zinc/53/90/17/362539017.db2.gz SGFVPKOKZCBGGM-ZIAGYGMSSA-N 0 3 272.348 2.282 20 30 CEEDHN CCCC(=O)NC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000590154161 345118016 /nfs/dbraw/zinc/11/80/16/345118016.db2.gz KCNVRRWUVSQCRA-TZMCWYRMSA-N 0 3 263.385 2.059 20 30 CEEDHN N#C[C@H]1CC[C@H](N2CCc3ccc(O)cc3CC2)C1 ZINC000590165353 345119123 /nfs/dbraw/zinc/11/91/23/345119123.db2.gz QBTIBVJECYBLCH-WFASDCNBSA-N 0 3 256.349 2.485 20 30 CEEDHN N#Cc1cccc(N[C@@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000590689594 345161046 /nfs/dbraw/zinc/16/10/46/345161046.db2.gz ANOWLTJKNVRIFZ-CYBMUJFWSA-N 0 3 286.335 2.363 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC1(C#N)CC1 ZINC000590327453 345129559 /nfs/dbraw/zinc/12/95/59/345129559.db2.gz JOGDGJFPHUAARE-ZBFHGGJFSA-N 0 3 297.402 2.317 20 30 CEEDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000590536895 345144510 /nfs/dbraw/zinc/14/45/10/345144510.db2.gz DJCGXDBZVIPBGV-CQSZACIVSA-N 0 3 289.354 2.254 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(c2nc(N)n[nH]2)CC1 ZINC000590598809 345149541 /nfs/dbraw/zinc/14/95/41/345149541.db2.gz BLMCAILPIBYACP-NSHDSACASA-N 0 3 296.378 2.030 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC(c2nc(N)n[nH]2)CC1 ZINC000590600157 345149999 /nfs/dbraw/zinc/14/99/99/345149999.db2.gz LLLNXHADFRJICG-LLVKDONJSA-N 0 3 296.378 2.030 20 30 CEEDHN C[C@]1(C#N)CCCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000591310331 345239288 /nfs/dbraw/zinc/23/92/88/345239288.db2.gz LPWGCBXIOHEMNL-QGZVFWFLSA-N 0 3 298.390 2.490 20 30 CEEDHN CC(C)C[C@@H](C#N)NC(=O)CCN1CCc2ccccc2C1 ZINC000591317434 345239766 /nfs/dbraw/zinc/23/97/66/345239766.db2.gz UBXOFFUNMJWDEE-KRWDZBQOSA-N 0 3 299.418 2.489 20 30 CEEDHN C=C(C)[C@H](CO)N1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000591477341 345260493 /nfs/dbraw/zinc/26/04/93/345260493.db2.gz DIJRSGVOIQPAEX-RDBSUJKOSA-N 0 3 283.412 2.223 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCCCCc1ccccc1 ZINC000591593106 345267537 /nfs/dbraw/zinc/26/75/37/345267537.db2.gz PLIIBEASOXRUNG-OAHLLOKOSA-N 0 3 273.380 2.147 20 30 CEEDHN Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](N)CCCC#N)CC2 ZINC000591613268 345269588 /nfs/dbraw/zinc/26/95/88/345269588.db2.gz MIITWTVVQXKVBT-CABCVRRESA-N 0 3 271.364 2.120 20 30 CEEDHN N#CCCNC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000591728314 345276193 /nfs/dbraw/zinc/27/61/93/345276193.db2.gz KNOMYLXEEKPCPQ-NSHDSACASA-N 0 3 265.307 2.294 20 30 CEEDHN CC(C)(C)N1CC[C@H](N[C@@H]2CCC[C@@H](C#N)C2)C1=O ZINC000592391621 345349093 /nfs/dbraw/zinc/34/90/93/345349093.db2.gz MQINZMVKMJVBLI-UPJWGTAASA-N 0 3 263.385 2.058 20 30 CEEDHN N#Cc1cnccc1CN1CCc2ccccc2[C@H]1CN ZINC000592494992 345360320 /nfs/dbraw/zinc/36/03/20/345360320.db2.gz KFPPKYLRHILYGA-QGZVFWFLSA-N 0 3 278.359 2.011 20 30 CEEDHN C[C@@H]1CC[C@@H](N(C)Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592513971 345363248 /nfs/dbraw/zinc/36/32/48/345363248.db2.gz MSKLGXIKGAYWJT-BXUZGUMPSA-N 0 3 269.352 2.221 20 30 CEEDHN Cc1ccc2cc(CN3CC[C@@](O)(CC#N)C3)ccc2n1 ZINC000592522778 345365682 /nfs/dbraw/zinc/36/56/82/345365682.db2.gz RUSBNUNEBKOXJP-KRWDZBQOSA-N 0 3 281.359 2.394 20 30 CEEDHN N#Cc1ccc(OCCN2CCC(C3(O)CC3)CC2)cc1 ZINC000593050389 345428395 /nfs/dbraw/zinc/42/83/95/345428395.db2.gz JCGLEIVYGZNULN-UHFFFAOYSA-N 0 3 286.375 2.174 20 30 CEEDHN CCCN(C(=O)c1ccc(C#N)cc1)[C@H]1CCN(C)C1 ZINC000592830923 345401856 /nfs/dbraw/zinc/40/18/56/345401856.db2.gz IFFPLSRLYQTOHS-HNNXBMFYSA-N 0 3 271.364 2.115 20 30 CEEDHN CCCN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CCN(C)C1 ZINC000592832207 345401925 /nfs/dbraw/zinc/40/19/25/345401925.db2.gz SZNRIPSVLZRZJQ-QGZVFWFLSA-N 0 3 299.418 2.434 20 30 CEEDHN CCC(C#N)C(=O)N1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000593558107 345507496 /nfs/dbraw/zinc/50/74/96/345507496.db2.gz IICIHIROLWPSQK-NWDGAFQWSA-N 0 3 280.368 2.259 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](CC(=O)OC)c1cccs1 ZINC000593397544 345476478 /nfs/dbraw/zinc/47/64/78/345476478.db2.gz XOSOCQQEAKVBJJ-VHSXEESVSA-N 0 3 280.349 2.018 20 30 CEEDHN CC[C@@H](C#N)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000593422510 345482057 /nfs/dbraw/zinc/48/20/57/345482057.db2.gz NIHAZIRDEHHHQO-ZFWWWQNUSA-N 0 3 273.380 2.264 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)NCC1(C#N)CCCC1 ZINC000593427045 345483614 /nfs/dbraw/zinc/48/36/14/345483614.db2.gz GHFNIBDEOJRLOD-UHFFFAOYSA-N 0 3 292.427 2.054 20 30 CEEDHN N#Cc1ccc(CNCCC2(CO)CCC2)s1 ZINC000593692456 345521688 /nfs/dbraw/zinc/52/16/88/345521688.db2.gz AFIJRWZUKFDLHX-UHFFFAOYSA-N 0 3 250.367 2.262 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)NCC1(C#N)CCCC1 ZINC000593782420 345537653 /nfs/dbraw/zinc/53/76/53/345537653.db2.gz MAJRIKZKDMBTPX-ZDUSSCGKSA-N 0 3 263.385 2.061 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)CCCCC#N)C1 ZINC000594044312 345572330 /nfs/dbraw/zinc/57/23/30/345572330.db2.gz OMMNCKAPSLVJEY-CYBMUJFWSA-N 0 3 251.374 2.011 20 30 CEEDHN CC(C)OC(=O)C[C@H](NCc1ccnc(C#N)c1)C(C)C ZINC000594047815 345573050 /nfs/dbraw/zinc/57/30/50/345573050.db2.gz ZTXZDCKSJMGVPJ-HNNXBMFYSA-N 0 3 289.379 2.409 20 30 CEEDHN N#Cc1csc(CN[C@H](C2CC2)C2CCOCC2)n1 ZINC000593667513 345518638 /nfs/dbraw/zinc/51/86/38/345518638.db2.gz XBSRXOFDTUZWPJ-CQSZACIVSA-N 0 3 277.393 2.310 20 30 CEEDHN N#Cc1cccc(CC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594194925 345595967 /nfs/dbraw/zinc/59/59/67/345595967.db2.gz AOIHCWGFBFBDQE-SJORKVTESA-N 0 3 297.402 2.234 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000594300499 345610132 /nfs/dbraw/zinc/61/01/32/345610132.db2.gz ABXKADVKHOZGPW-CPUCHLNUSA-N 0 3 299.418 2.336 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCN(C)C1CC1 ZINC000594343511 345614586 /nfs/dbraw/zinc/61/45/86/345614586.db2.gz PNZWRFLIVIYTML-AWEZNQCLSA-N 0 3 299.418 2.289 20 30 CEEDHN Cc1ccc([C@H](NC(=O)C(C)C#N)C(F)(F)F)o1 ZINC000594405129 345622486 /nfs/dbraw/zinc/62/24/86/345622486.db2.gz YTMVLLFCGKKBPV-RCOVLWMOSA-N 0 3 260.215 2.467 20 30 CEEDHN Cc1ccc(CNC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594425029 345625749 /nfs/dbraw/zinc/62/57/49/345625749.db2.gz JDSBFWTWIYAGFI-AWEZNQCLSA-N 0 3 259.353 2.023 20 30 CEEDHN C[C@@H]1CCC[C@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594425921 345625997 /nfs/dbraw/zinc/62/59/97/345625997.db2.gz BPEFCIKUCZOXAE-AGIUHOORSA-N 0 3 251.374 2.093 20 30 CEEDHN CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594426826 345626313 /nfs/dbraw/zinc/62/63/13/345626313.db2.gz FPETYCPYUNNEDO-HZSPNIEDSA-N 0 3 265.401 2.483 20 30 CEEDHN C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594427299 345626327 /nfs/dbraw/zinc/62/63/27/345626327.db2.gz IFCFAHBUDRIMLR-MCIONIFRSA-N 0 3 265.401 2.435 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000594426898 345626494 /nfs/dbraw/zinc/62/64/94/345626494.db2.gz HPOOTZMSNLQRFR-IAGOWNOFSA-N 0 3 299.418 2.489 20 30 CEEDHN CCCN(CC1CC1)C(=O)[C@H](N)CCCCC#N ZINC000594427606 345627256 /nfs/dbraw/zinc/62/72/56/345627256.db2.gz VHBIAHAKJWLROP-CYBMUJFWSA-N 0 3 251.374 2.046 20 30 CEEDHN CC1(C)CCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594428209 345627513 /nfs/dbraw/zinc/62/75/13/345627513.db2.gz KHCZHPLSKIYKOF-LBPRGKRZSA-N 0 3 251.374 2.046 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCc1ccc(Cl)s1 ZINC000594430037 345627642 /nfs/dbraw/zinc/62/76/42/345627642.db2.gz ZIOGKQHVEHLFKW-LLVKDONJSA-N 0 3 299.827 2.471 20 30 CEEDHN CCC(CC)(CC)NC(=O)[C@H](N)CCCCC#N ZINC000594434406 345629450 /nfs/dbraw/zinc/62/94/50/345629450.db2.gz ZBGCFONWQWAHAK-GFCCVEGCSA-N 0 3 253.390 2.483 20 30 CEEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1nc2ccccc2[nH]1 ZINC000594441043 345631062 /nfs/dbraw/zinc/63/10/62/345631062.db2.gz LMNROIOQKMQYIU-VXGBXAGGSA-N 0 3 299.378 2.151 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccccn1 ZINC000594441139 345631126 /nfs/dbraw/zinc/63/11/26/345631126.db2.gz NNUWGQZLNXKPBZ-UKRRQHHQSA-N 0 3 286.379 2.156 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1C1CCC1 ZINC000594439851 345631272 /nfs/dbraw/zinc/63/12/72/345631272.db2.gz RMVGEFWRLZVREP-KBPBESRZSA-N 0 3 263.385 2.189 20 30 CEEDHN Cc1ccc(O)c(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594442769 345631931 /nfs/dbraw/zinc/63/19/31/345631931.db2.gz UOOFKHHNRIQHRZ-LLVKDONJSA-N 0 3 261.325 2.050 20 30 CEEDHN CC[C@@H]1C[C@H](C)CN1C(=O)[C@H](N)CCCCC#N ZINC000594444110 345632163 /nfs/dbraw/zinc/63/21/63/345632163.db2.gz KRTIBQNYOJKURU-YNEHKIRRSA-N 0 3 251.374 2.045 20 30 CEEDHN CCC1(CC)[C@H](NC(=O)[C@H](N)CCCCC#N)C[C@@H]1OC ZINC000594445779 345632565 /nfs/dbraw/zinc/63/25/65/345632565.db2.gz LVVOCGMUEMZLQH-MCIONIFRSA-N 0 3 295.427 2.108 20 30 CEEDHN CCCC1(CNC(=O)[C@H](N)CCCCC#N)CCC1 ZINC000594445201 345632571 /nfs/dbraw/zinc/63/25/71/345632571.db2.gz BOSVASQUZUGZAW-CYBMUJFWSA-N 0 3 265.401 2.484 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N(CC1CC1)CC1CC1 ZINC000594445017 345632719 /nfs/dbraw/zinc/63/27/19/345632719.db2.gz NTNNEWIKIOVMHJ-CQSZACIVSA-N 0 3 263.385 2.046 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000594447644 345633254 /nfs/dbraw/zinc/63/32/54/345633254.db2.gz USKHIVJWTNLBIF-RHSMWYFYSA-N 0 3 299.418 2.319 20 30 CEEDHN CC[C@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594447881 345633276 /nfs/dbraw/zinc/63/32/76/345633276.db2.gz WXOWTNYKFYCDFX-KBPBESRZSA-N 0 3 265.401 2.436 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@H]1CC12CCSCC2 ZINC000594450253 345633987 /nfs/dbraw/zinc/63/39/87/345633987.db2.gz VRXKKMTZMTXDJF-CHWSQXEVSA-N 0 3 295.452 2.047 20 30 CEEDHN CC(C)OC1CCC(NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594451723 345634644 /nfs/dbraw/zinc/63/46/44/345634644.db2.gz CBTQUKOPXALDGG-NRXISQOPSA-N 0 3 295.427 2.250 20 30 CEEDHN N#Cc1cccc(N[C@H]2CCCN3CCCC[C@H]23)n1 ZINC000594600579 345657154 /nfs/dbraw/zinc/65/71/54/345657154.db2.gz MGLCKEKGPAGJSK-UONOGXRCSA-N 0 3 256.353 2.382 20 30 CEEDHN CN1C[C@H](NCc2ccc(C(C)(C)C#N)cc2)CCC1=O ZINC000594511375 345640846 /nfs/dbraw/zinc/64/08/46/345640846.db2.gz HOQYVZGRRUNZRG-OAHLLOKOSA-N 0 3 285.391 2.198 20 30 CEEDHN C=CCCSCCNC(=O)NCCN1CCCCC1 ZINC000594687850 345672022 /nfs/dbraw/zinc/67/20/22/345672022.db2.gz UTBDDXVVDPPPCO-UHFFFAOYSA-N 0 3 285.457 2.081 20 30 CEEDHN Cc1cc(CN2C[C@@H](C)C[C@H](CO)C2)ccc1C#N ZINC000335557383 212263913 /nfs/dbraw/zinc/26/39/13/212263913.db2.gz VHACCBNAAQTKCF-WFASDCNBSA-N 0 3 258.365 2.317 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC(c2ccco2)CC1 ZINC000595255595 345749725 /nfs/dbraw/zinc/74/97/25/345749725.db2.gz GCNHDYAPBUXVNP-CYBMUJFWSA-N 0 3 275.352 2.007 20 30 CEEDHN C=CCCSCCNC(=O)NC[C@@H](N)c1ccccc1 ZINC000595267344 345751970 /nfs/dbraw/zinc/75/19/70/345751970.db2.gz ICXOKWKENVTKMS-CQSZACIVSA-N 0 3 293.436 2.295 20 30 CEEDHN N#CC1(c2ccc(CN[C@H](CO)CC(F)F)cc2)CC1 ZINC000594936602 345708665 /nfs/dbraw/zinc/70/86/65/345708665.db2.gz FQVAXRODMCSPLB-ZDUSSCGKSA-N 0 3 280.318 2.347 20 30 CEEDHN CCCn1cc(CNCCc2ccc(C#N)cc2)cn1 ZINC000594956597 345715719 /nfs/dbraw/zinc/71/57/19/345715719.db2.gz XBKYMCGGSQDSLY-UHFFFAOYSA-N 0 3 268.364 2.497 20 30 CEEDHN COCCCn1nccc1CNCCc1ccc(C#N)cc1 ZINC000594955636 345715726 /nfs/dbraw/zinc/71/57/26/345715726.db2.gz QMKNOCXWBNVRLF-UHFFFAOYSA-N 0 3 298.390 2.124 20 30 CEEDHN C[S@](=O)[C@@H]1CCC[C@@H](NCc2cc(C#N)cs2)C1 ZINC000594961083 345717404 /nfs/dbraw/zinc/71/74/04/345717404.db2.gz LEDPGKRJKHJHKR-BVRBVLIYSA-N 0 3 282.434 2.399 20 30 CEEDHN C[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000594962411 345718095 /nfs/dbraw/zinc/71/80/95/345718095.db2.gz RHZFFUDZNSKILA-PCJJGOFDSA-N 0 3 282.434 2.399 20 30 CEEDHN C=CCCn1cc(CN[C@H]2CC[C@@H](CC#N)C2)nn1 ZINC000594961614 345718107 /nfs/dbraw/zinc/71/81/07/345718107.db2.gz XLNACJMNBBJPAY-STQMWFEESA-N 0 3 259.357 2.026 20 30 CEEDHN N#C[C@H](c1ccccc1)N1CCC(CN2CCOCC2)CC1 ZINC000595298212 345757572 /nfs/dbraw/zinc/75/75/72/345757572.db2.gz QGAVWUBMEBVMJB-GOSISDBHSA-N 0 3 299.418 2.295 20 30 CEEDHN COc1cc(CNCCO[C@@H]2CC2(F)F)ccc1C#N ZINC000594971352 345719638 /nfs/dbraw/zinc/71/96/38/345719638.db2.gz GGBZKELSHCEWTL-CYBMUJFWSA-N 0 3 282.290 2.081 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NCc1ccc(C#N)o1 ZINC000594978919 345720766 /nfs/dbraw/zinc/72/07/66/345720766.db2.gz DBVSHOXOWKFEPD-CYBMUJFWSA-N 0 3 261.369 2.361 20 30 CEEDHN C[C@@]1(CNCc2cnc3ccc(C#N)cn23)CC1(F)F ZINC000594984373 345721459 /nfs/dbraw/zinc/72/14/59/345721459.db2.gz HOBWEVBOCHNDMS-ZDUSSCGKSA-N 0 3 276.290 2.341 20 30 CEEDHN Cn1cc(C[C@H]2CCC[C@H]2NCc2ccc(C#N)o2)cn1 ZINC000594981381 345721464 /nfs/dbraw/zinc/72/14/64/345721464.db2.gz YLWRFTIEAGFWKP-CZUORRHYSA-N 0 3 284.363 2.386 20 30 CEEDHN N#Cc1ccc(CNC[C@H](CO)CC2CC2)cc1F ZINC000594982834 345721524 /nfs/dbraw/zinc/72/15/24/345721524.db2.gz IROZNIIEJQBHEZ-CYBMUJFWSA-N 0 3 262.328 2.196 20 30 CEEDHN CC(C)(CNCc1cc(C#N)cs1)[C@@]1(O)CCCOC1 ZINC000594997570 345724178 /nfs/dbraw/zinc/72/41/78/345724178.db2.gz ZSCLBHHSEZABNY-OAHLLOKOSA-N 0 3 294.420 2.277 20 30 CEEDHN C[C@@H](Cn1cncn1)N[C@H](CCC#N)c1ccccc1 ZINC000595023252 345729607 /nfs/dbraw/zinc/72/96/07/345729607.db2.gz UIGFFUUIFJSDTB-DZGCQCFKSA-N 0 3 269.352 2.301 20 30 CEEDHN CCCCN(C)CCNC(=O)N1CCC[C@H](CC#N)C1 ZINC000595546894 345809475 /nfs/dbraw/zinc/80/94/75/345809475.db2.gz KMUYOVRQRUQRCZ-CQSZACIVSA-N 0 3 280.416 2.054 20 30 CEEDHN N#CC[C@]1(O)CCN(CC[C@@H]2CCc3ccccc32)C1 ZINC000595556300 345812502 /nfs/dbraw/zinc/81/25/02/345812502.db2.gz BSKPDLVUBZFENV-RDJZCZTQSA-N 0 3 270.376 2.457 20 30 CEEDHN COCCCOCCN(C)CCc1ccc(C#N)cc1 ZINC000595421963 345778385 /nfs/dbraw/zinc/77/83/85/345778385.db2.gz LPRREOFJKDANMP-UHFFFAOYSA-N 0 3 276.380 2.086 20 30 CEEDHN N#Cc1cc(CN(CCOCCO)C2CCC2)ccc1F ZINC000595598485 345822154 /nfs/dbraw/zinc/82/21/54/345822154.db2.gz FAGGENUNZQULKK-UHFFFAOYSA-N 0 3 292.354 2.061 20 30 CEEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@H](C)N1C ZINC000595505124 345798428 /nfs/dbraw/zinc/79/84/28/345798428.db2.gz NDDBAMGMNWFYTE-OKILXGFUSA-N 0 3 257.381 2.125 20 30 CEEDHN C=CCCSCCNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000595515679 345802010 /nfs/dbraw/zinc/80/20/10/345802010.db2.gz NDHNJFAGLAKUGE-AWEZNQCLSA-N 0 3 297.468 2.079 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC[C@H](CC#N)C1 ZINC000595665009 345841965 /nfs/dbraw/zinc/84/19/65/345841965.db2.gz RPELVWITJLAZPA-KGLIPLIRSA-N 0 3 292.427 2.194 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000595664323 345842165 /nfs/dbraw/zinc/84/21/65/345842165.db2.gz OJFFDACQFZBQPX-ZDUSSCGKSA-N 0 3 292.427 2.194 20 30 CEEDHN C[C@@]12COC[C@]1(C)CN(CCOc1cccc(C#N)c1)C2 ZINC000595689189 345848976 /nfs/dbraw/zinc/84/89/76/345848976.db2.gz NHLGPHAIDHQVMS-CALCHBBNSA-N 0 3 286.375 2.295 20 30 CEEDHN N#CC[C@H]1CCCN(CCO[C@H]2CCCCO2)C1 ZINC000595620787 345829874 /nfs/dbraw/zinc/82/98/74/345829874.db2.gz QTNFLXQTNHWLPK-KGLIPLIRSA-N 0 3 252.358 2.155 20 30 CEEDHN C=CCN(Cc1ccc(C(=O)OC)cc1)[C@@H](C)COC ZINC000595645817 345837262 /nfs/dbraw/zinc/83/72/62/345837262.db2.gz HVTILJMFTKBTOX-ZDUSSCGKSA-N 0 3 277.364 2.496 20 30 CEEDHN C=CC[C@H]1CCCN([C@@H](C(=O)OC)C2(OC)CCC2)C1 ZINC000595658385 345840417 /nfs/dbraw/zinc/84/04/17/345840417.db2.gz IDVQCXKTIRCKGU-KBPBESRZSA-N 0 3 281.396 2.385 20 30 CEEDHN C=CC[C@@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000595658033 345840468 /nfs/dbraw/zinc/84/04/68/345840468.db2.gz FCPCGTXQMIDSKV-OAHLLOKOSA-N 0 3 297.402 2.463 20 30 CEEDHN C=CC[C@H]1CCCN(CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000595661376 345841099 /nfs/dbraw/zinc/84/10/99/345841099.db2.gz ZUASNSDSQWGLIS-GJZGRUSLSA-N 0 3 277.412 2.283 20 30 CEEDHN Cc1cc(CN2CC[C@H]3COC[C@H]3C2)ccc1C#N ZINC000595827400 345887442 /nfs/dbraw/zinc/88/74/42/345887442.db2.gz OWZSSHMUHLROAH-JKSUJKDBSA-N 0 3 256.349 2.335 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CC[C@H](CN2CCCC2=O)C1 ZINC000595828513 345887515 /nfs/dbraw/zinc/88/75/15/345887515.db2.gz KYXCCYLQWBOVMT-INIZCTEOSA-N 0 3 297.402 2.311 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC000595835034 345891583 /nfs/dbraw/zinc/89/15/83/345891583.db2.gz UISGTVYWOMAOMN-HIFRSBDPSA-N 0 3 272.348 2.035 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@H](C2CCC2)C1 ZINC000595838230 345893553 /nfs/dbraw/zinc/89/35/53/345893553.db2.gz UBLNCURFGPMNBP-ZFWWWQNUSA-N 0 3 277.412 2.259 20 30 CEEDHN Cc1cc(CN2C[C@@H](C)[C@@](C)(CO)C2)ccc1C#N ZINC000595861359 345900274 /nfs/dbraw/zinc/90/02/74/345900274.db2.gz UGHRPNWXZTZXPG-CZUORRHYSA-N 0 3 258.365 2.317 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595878843 345904619 /nfs/dbraw/zinc/90/46/19/345904619.db2.gz VOAZUEZAZOFEAP-MLGOLLRUSA-N 0 3 274.364 2.017 20 30 CEEDHN CC1(C)CN(C(=O)[C@H](N)CCCC#N)[C@H]1c1ccncc1 ZINC000595948957 345917478 /nfs/dbraw/zinc/91/74/78/345917478.db2.gz UKQKMAQQSHNDDT-KGLIPLIRSA-N 0 3 286.379 2.012 20 30 CEEDHN CC1(C)C[C@]1(NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000595991625 345921046 /nfs/dbraw/zinc/92/10/46/345921046.db2.gz DZTTWLKUZVBBDF-YOEHRIQHSA-N 0 3 285.391 2.449 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)Nc1c(C#N)cnn1C ZINC000596183756 345963386 /nfs/dbraw/zinc/96/33/86/345963386.db2.gz AEAHAKXTIUPQOV-CYBMUJFWSA-N 0 3 283.379 2.224 20 30 CEEDHN CCN1CCN(CCNc2cc(Cl)ccc2C#N)CC1 ZINC000596073984 345933447 /nfs/dbraw/zinc/93/34/47/345933447.db2.gz PFSSDSKQTZIPAD-UHFFFAOYSA-N 0 3 292.814 2.261 20 30 CEEDHN C[N@H+](CCN=c1[n-]c(C#N)c(Cl)s1)C1CCCC1 ZINC000596113782 345942609 /nfs/dbraw/zinc/94/26/09/345942609.db2.gz YSKNVMUPLHTYRT-UHFFFAOYSA-N 0 3 284.816 2.376 20 30 CEEDHN C[N@@H+](CCN=c1[n-]c(C#N)c(Cl)s1)C1CCCC1 ZINC000596113782 345942611 /nfs/dbraw/zinc/94/26/11/345942611.db2.gz YSKNVMUPLHTYRT-UHFFFAOYSA-N 0 3 284.816 2.376 20 30 CEEDHN Cc1ccc(C#N)nc1N1CC[C@H](N2CCCCC2)C1 ZINC000596119236 345943913 /nfs/dbraw/zinc/94/39/13/345943913.db2.gz AZGUDHWDSRVNTH-HNNXBMFYSA-N 0 3 270.380 2.326 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccc3nccnc32)CC1 ZINC000273263708 192093343 /nfs/dbraw/zinc/09/33/43/192093343.db2.gz LCHOZPBXCZOQHB-UHFFFAOYSA-N 0 3 296.374 2.010 20 30 CEEDHN CN(C[C@@H]1CCCN1C)c1nc2ncccc2cc1C#N ZINC000596278519 345989468 /nfs/dbraw/zinc/98/94/68/345989468.db2.gz OENQNKZAQUHDAP-AWEZNQCLSA-N 0 3 281.363 2.032 20 30 CEEDHN Cc1cc(N[C@H](C)CN2CCC(C)CC2)c(C#N)cn1 ZINC000596488855 346036590 /nfs/dbraw/zinc/03/65/90/346036590.db2.gz SLFXOPDPWZTLMX-CQSZACIVSA-N 0 3 272.396 2.216 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000596679379 346076226 /nfs/dbraw/zinc/07/62/26/346076226.db2.gz JYJQQEZRWKKLCQ-GFCCVEGCSA-N 0 3 280.416 2.050 20 30 CEEDHN C=CCCSCCNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000596715352 346078985 /nfs/dbraw/zinc/07/89/85/346078985.db2.gz DSDONNTXRBPLLF-AWEZNQCLSA-N 0 3 299.484 2.420 20 30 CEEDHN C[C@@H](CC#N)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000596789559 346090625 /nfs/dbraw/zinc/09/06/25/346090625.db2.gz UJCIGOYSXRWFJK-GOEBONIOSA-N 0 3 285.391 2.317 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)N(C)CC(C)(C)C#N ZINC000596844152 346095671 /nfs/dbraw/zinc/09/56/71/346095671.db2.gz JKBPMRUOXJOSDZ-CQSZACIVSA-N 0 3 294.443 2.298 20 30 CEEDHN Cn1ncc2c1CC(C)(C)CN(CCCSCC#N)C2 ZINC000596599724 346063050 /nfs/dbraw/zinc/06/30/50/346063050.db2.gz XEYIBUKWRSEZOH-UHFFFAOYSA-N 0 3 292.452 2.451 20 30 CEEDHN Cn1ncc2c1CC(C)(C)CN([C@H]1CC[C@H](C#N)C1)C2 ZINC000596599281 346063371 /nfs/dbraw/zinc/06/33/71/346063371.db2.gz SGLNMDKCWMCKLM-JSGCOSHPSA-N 0 3 272.396 2.497 20 30 CEEDHN N#CCc1ccc(CN[C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597154959 346136699 /nfs/dbraw/zinc/13/66/99/346136699.db2.gz PXCIZZQXPQJJDZ-JKSUJKDBSA-N 0 3 256.349 2.410 20 30 CEEDHN C[C@@H](CC#N)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000597206231 346148288 /nfs/dbraw/zinc/14/82/88/346148288.db2.gz MXDGQZRXANHDDS-KBPBESRZSA-N 0 3 273.380 2.173 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000597524504 346198454 /nfs/dbraw/zinc/19/84/54/346198454.db2.gz ZCZACSWXTRRMJI-IPYPFGDCSA-N 0 3 273.380 2.344 20 30 CEEDHN CN1CC[C@]2(C1)CCCN(C(=O)c1cccc(CC#N)c1)C2 ZINC000597714865 346220733 /nfs/dbraw/zinc/22/07/33/346220733.db2.gz KMJJDFCOKUYIGT-SFHVURJKSA-N 0 3 297.402 2.311 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000597878417 346243822 /nfs/dbraw/zinc/24/38/22/346243822.db2.gz RHPPHOHTRUGCPW-RYUDHWBXSA-N 0 3 291.782 2.442 20 30 CEEDHN CCN(C(=O)Cc1cccc(C#N)c1)[C@@H]1CCN(CC)C1 ZINC000598041293 346274185 /nfs/dbraw/zinc/27/41/85/346274185.db2.gz SMKSVANBNHKJCJ-MRXNPFEDSA-N 0 3 285.391 2.043 20 30 CEEDHN CC(C#N)C(=O)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000598139292 346299853 /nfs/dbraw/zinc/29/98/53/346299853.db2.gz MIAYBGPYGDBVJH-DGCLKSJQSA-N 0 3 274.320 2.119 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)[C@@H](C#N)CCc2ccccc2)C1 ZINC000598342411 346332009 /nfs/dbraw/zinc/33/20/09/346332009.db2.gz MUNLOUWWWCFSLI-IAGOWNOFSA-N 0 3 299.418 2.359 20 30 CEEDHN CO[C@@]1(C)C[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000598459119 346360240 /nfs/dbraw/zinc/36/02/40/346360240.db2.gz PLDVITQJCHDVQE-FMKPAKJESA-N 0 3 272.348 2.053 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCc2ccccc2-n2ccnc21 ZINC000598576494 346377100 /nfs/dbraw/zinc/37/71/00/346377100.db2.gz UPXINFQOPMYTTR-AAEUAGOBSA-N 0 3 280.331 2.135 20 30 CEEDHN CN(CCN(C)c1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598589502 346378627 /nfs/dbraw/zinc/37/86/27/346378627.db2.gz SFXMNDULJYMABU-INIZCTEOSA-N 0 3 289.423 2.355 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCSC(C)(C)C1 ZINC000598593840 346380244 /nfs/dbraw/zinc/38/02/44/346380244.db2.gz XDJHFFQDSYVKEM-NSHDSACASA-N 0 3 256.415 2.115 20 30 CEEDHN COc1ccc2c(c1)CCN(C[C@@H](O)CC(C)(C)C#N)C2 ZINC000598627582 346387788 /nfs/dbraw/zinc/38/77/88/346387788.db2.gz CWYUIOIOYKFYQQ-HNNXBMFYSA-N 0 3 288.391 2.354 20 30 CEEDHN CCOc1ccc(CNC[C@H](O)CC(C)(C)C#N)cc1 ZINC000598702315 346403948 /nfs/dbraw/zinc/40/39/48/346403948.db2.gz SHLKTSABBYVNAJ-CQSZACIVSA-N 0 3 276.380 2.476 20 30 CEEDHN C[C@@H]1Oc2ccccc2[C@@H]1NC[C@H](O)CC(C)(C)C#N ZINC000598726812 346409964 /nfs/dbraw/zinc/40/99/64/346409964.db2.gz CAVGGMYHDGWORT-YWPYICTPSA-N 0 3 274.364 2.399 20 30 CEEDHN CC(=O)Nc1ccccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598721626 346408036 /nfs/dbraw/zinc/40/80/36/346408036.db2.gz WFDBPLOLKPLHCU-AWEZNQCLSA-N 0 3 289.379 2.035 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CC[C@H](C)[C@H](CO)C1 ZINC000598647938 346392309 /nfs/dbraw/zinc/39/23/09/346392309.db2.gz QJGQCQNFSVGRDP-LRDDRELGSA-N 0 3 258.365 2.317 20 30 CEEDHN Cc1cc(C)c(CNC[C@@H](O)CC(C)(C)C#N)cn1 ZINC000598727309 346410449 /nfs/dbraw/zinc/41/04/49/346410449.db2.gz GLKXTYOJUJENCU-AWEZNQCLSA-N 0 3 261.369 2.089 20 30 CEEDHN C=C(C)CN(CC)C[C@H](O)COc1ccccc1C#N ZINC000599256546 346484319 /nfs/dbraw/zinc/48/43/19/346484319.db2.gz CPUGUVKCYZAEHG-HNNXBMFYSA-N 0 3 274.364 2.196 20 30 CEEDHN CC(C)n1cc([C@@H](C)NC[C@@H](O)CC2(C#N)CC2)cn1 ZINC000599361390 346507244 /nfs/dbraw/zinc/50/72/44/346507244.db2.gz DPWXRTUZJPGVEY-OCCSQVGLSA-N 0 3 276.384 2.169 20 30 CEEDHN Cc1ccc(CN(C)C[C@H]2CCC[C@H]2O)cc1C#N ZINC000599340739 346501737 /nfs/dbraw/zinc/50/17/37/346501737.db2.gz ZTFIVTWRPVCQPT-GDBMZVCRSA-N 0 3 258.365 2.460 20 30 CEEDHN COC(=O)C1(CN2CCc3c(CC#N)cccc3C2)CC1 ZINC000599677901 346562276 /nfs/dbraw/zinc/56/22/76/346562276.db2.gz MEPUXHCBCZHEMA-UHFFFAOYSA-N 0 3 284.359 2.064 20 30 CEEDHN C=CCOCCN1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599583208 346542407 /nfs/dbraw/zinc/54/24/07/346542407.db2.gz QMNOVYDEMZDQEF-UONOGXRCSA-N 0 3 283.412 2.489 20 30 CEEDHN N#Cc1ccc(CN2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000599636400 346550365 /nfs/dbraw/zinc/55/03/65/346550365.db2.gz OJFXFBCREXOGHO-JKSUJKDBSA-N 0 3 256.349 2.153 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](C/C=C/C)C1 ZINC000599693252 346569637 /nfs/dbraw/zinc/56/96/37/346569637.db2.gz YQFTVMSKUIJKBH-HHAVJRIZSA-N 0 3 293.411 2.065 20 30 CEEDHN C=CC[C@H]1CCN(Cc2cc(C(=O)OC)n(C)c2)C1 ZINC000600186048 346617915 /nfs/dbraw/zinc/61/79/15/346617915.db2.gz NTFYTIJENZJAGW-LBPRGKRZSA-N 0 3 262.353 2.210 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC2(C1)CCCO2 ZINC000600315231 346634097 /nfs/dbraw/zinc/63/40/97/346634097.db2.gz ZFWUMIIHRRAOCA-OAHLLOKOSA-N 0 3 284.359 2.150 20 30 CEEDHN Cc1noc([C@H]2CCCN(CCC(C)(C)C#N)C2)n1 ZINC000336802919 365837962 /nfs/dbraw/zinc/83/79/62/365837962.db2.gz WJYKJQVJONIOGB-LBPRGKRZSA-N 0 3 262.357 2.497 20 30 CEEDHN Cc1ccc(-c2ccc(NCCN(C)C)nc2)cc1C#N ZINC000600795499 346692232 /nfs/dbraw/zinc/69/22/32/346692232.db2.gz YNJBBZNKWJJBIZ-UHFFFAOYSA-N 0 3 280.375 2.324 20 30 CEEDHN Cc1cc(C#N)cc(N(C)[C@H]2CCN(C)[C@H](C)C2)n1 ZINC000601118237 346757593 /nfs/dbraw/zinc/75/75/93/346757593.db2.gz ASLSDJRMDAHCIP-OCCSQVGLSA-N 0 3 258.369 2.181 20 30 CEEDHN CC(C)(C)OC(=O)COCCNCc1ccc(C#N)s1 ZINC000601145462 346769001 /nfs/dbraw/zinc/76/90/01/346769001.db2.gz WKKKCBZHZYKFMB-UHFFFAOYSA-N 0 3 296.392 2.068 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601170361 346776697 /nfs/dbraw/zinc/77/66/97/346776697.db2.gz PJDPZJTURZELCU-CQSZACIVSA-N 0 3 289.423 2.451 20 30 CEEDHN C[C@H](CNc1cc(C#N)nc(C2CC2)n1)N1CCCC[C@@H]1C ZINC000601103851 346753440 /nfs/dbraw/zinc/75/34/40/346753440.db2.gz JQZQOUSWESIVSS-QWHCGFSZSA-N 0 3 299.422 2.322 20 30 CEEDHN C=CCSCCNCc1cncc(OC)c1C ZINC000601105655 346753909 /nfs/dbraw/zinc/75/39/09/346753909.db2.gz KSIVXAJGYIAKDT-UHFFFAOYSA-N 0 3 252.383 2.407 20 30 CEEDHN N#CC1CCC(N[C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000602617049 347105291 /nfs/dbraw/zinc/10/52/91/347105291.db2.gz NMQDNKQNZQAHSQ-UZANAETPSA-N 0 3 275.327 2.024 20 30 CEEDHN CCC[C@]1(CO)CCCN1Cc1cccc(C#N)n1 ZINC000602634206 347114438 /nfs/dbraw/zinc/11/44/38/347114438.db2.gz QDUOAXAPKSWAPZ-OAHLLOKOSA-N 0 3 259.353 2.080 20 30 CEEDHN CCOC(=O)C1(C)CC(NCc2cccc(C#N)c2)C1 ZINC000601263543 346805727 /nfs/dbraw/zinc/80/57/27/346805727.db2.gz LWUHPNDYQATXRY-UHFFFAOYSA-N 0 3 272.348 2.380 20 30 CEEDHN C=C(C)CCNCc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602674154 347136271 /nfs/dbraw/zinc/13/62/71/347136271.db2.gz FQKRPXFHJKRFEM-UHFFFAOYSA-N 0 3 279.384 2.431 20 30 CEEDHN CC(C)(C)c1nnc(C[NH2+]C2CCC(C#N)CC2)[n-]1 ZINC000602689347 347148057 /nfs/dbraw/zinc/14/80/57/347148057.db2.gz CPSIEPFUUYJINI-UHFFFAOYSA-N 0 3 261.373 2.274 20 30 CEEDHN CC(C)(C)c1nnc(CNC2CCC(C#N)CC2)[nH]1 ZINC000602689347 347148060 /nfs/dbraw/zinc/14/80/60/347148060.db2.gz CPSIEPFUUYJINI-UHFFFAOYSA-N 0 3 261.373 2.274 20 30 CEEDHN N#CC1CCC(CNCc2cc3c(cn2)OCCO3)CC1 ZINC000602657211 347126468 /nfs/dbraw/zinc/12/64/68/347126468.db2.gz PTVILWQOVCYHLW-UHFFFAOYSA-N 0 3 287.363 2.272 20 30 CEEDHN COc1ccc(CNC[C@H](C)CCC#N)c(OC)n1 ZINC000602667587 347132344 /nfs/dbraw/zinc/13/23/44/347132344.db2.gz PZNZCBVZQUEDEV-LLVKDONJSA-N 0 3 263.341 2.128 20 30 CEEDHN C[C@@H]1OCC[C@H]1CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000602793764 347200793 /nfs/dbraw/zinc/20/07/93/347200793.db2.gz KQRBRMVABUKZTA-SZMVWBNQSA-N 0 3 299.418 2.294 20 30 CEEDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1cccc(C#N)c1 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349206590 /nfs/dbraw/zinc/20/65/90/349206590.db2.gz WYZSEDNWNRWGGM-AWEZNQCLSA-N 0 3 266.385 2.198 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)NC[C@@H]2CCCN2CC)C1 ZINC000623395243 350007727 /nfs/dbraw/zinc/00/77/27/350007727.db2.gz DETRJKFFUTYNIQ-KBPBESRZSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)NCCN2CCC(C)CC2)C1 ZINC000623461288 350025694 /nfs/dbraw/zinc/02/56/94/350025694.db2.gz FWWIWURGFWEWJT-OAHLLOKOSA-N 0 3 279.428 2.326 20 30 CEEDHN C=CCc1cc(CN(CC)CCCO)cc(OC)c1O ZINC000271213288 191004526 /nfs/dbraw/zinc/00/45/26/191004526.db2.gz VROKRALGKMTSGT-UHFFFAOYSA-N 0 3 279.380 2.334 20 30 CEEDHN C=CC(C)(C)CCNC(=O)NCCN(CC)C1CC1 ZINC000623573768 350055285 /nfs/dbraw/zinc/05/52/85/350055285.db2.gz VJGXCARMUANOPN-UHFFFAOYSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CC[C@@H](C)NC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000623623340 350067851 /nfs/dbraw/zinc/06/78/51/350067851.db2.gz JAIJQKUQXSWXBQ-TZMCWYRMSA-N 0 3 265.401 2.267 20 30 CEEDHN C=CCN1CCC(NC(=O)CSCC(F)(F)F)CC1 ZINC000090554054 180002391 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C=CCNC(=O)CN[C@@H](CC)c1ccc(OC)cc1 ZINC000124149102 187124640 /nfs/dbraw/zinc/12/46/40/187124640.db2.gz WIULAYYDAXXNLX-AWEZNQCLSA-N 0 3 262.353 2.038 20 30 CEEDHN CC(C)(C)OCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292049665 198145737 /nfs/dbraw/zinc/14/57/37/198145737.db2.gz BCTUKEATCYAEDZ-CQSZACIVSA-N 0 3 289.379 2.221 20 30 CEEDHN COCCCCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292292570 198233983 /nfs/dbraw/zinc/23/39/83/198233983.db2.gz UIJYGTBDWHZOHE-OAHLLOKOSA-N 0 3 289.379 2.223 20 30 CEEDHN C#CCSCCNCc1cc(OC)cc(OC)c1 ZINC000152923275 188053169 /nfs/dbraw/zinc/05/31/69/188053169.db2.gz JSSOVVKJIYNDAT-UHFFFAOYSA-N 0 3 265.378 2.160 20 30 CEEDHN C[C@H](NC(=O)N[C@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000073812354 363252056 /nfs/dbraw/zinc/25/20/56/363252056.db2.gz OYBJCMFFNFXESB-WFASDCNBSA-N 0 3 286.379 2.013 20 30 CEEDHN C=CCc1cc(CN(C)[C@H]2CCOC2)cc(OC)c1O ZINC000132076485 366115931 /nfs/dbraw/zinc/11/59/31/366115931.db2.gz FAVCEIYRADLBNL-AWEZNQCLSA-N 0 3 277.364 2.350 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000338120637 366199340 /nfs/dbraw/zinc/19/93/40/366199340.db2.gz TYRIUYHGVSJGJK-NSHDSACASA-N 0 3 271.364 2.079 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000338129072 366203639 /nfs/dbraw/zinc/20/36/39/366203639.db2.gz BBFDBQJKRYDUIG-ZBEGNZNMSA-N 0 3 283.375 2.079 20 30 CEEDHN C=CCCN(CCO)Cc1cc(OC)ccc1OC ZINC000133051670 366191385 /nfs/dbraw/zinc/19/13/85/366191385.db2.gz XXLFVHOFKWTZEO-UHFFFAOYSA-N 0 3 265.353 2.074 20 30 CEEDHN N#CC1(C(=O)N2CC[C@@H](N3CCCCC3)C2)CCCC1 ZINC000110250451 283042338 /nfs/dbraw/zinc/04/23/38/283042338.db2.gz FOKQUFLNYHPBIY-CQSZACIVSA-N 0 3 275.396 2.157 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC2(C1)CCCCC2 ZINC000331709617 283051686 /nfs/dbraw/zinc/05/16/86/283051686.db2.gz YAOZOEWICWHWPJ-ZDUSSCGKSA-N 0 3 263.385 2.190 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000171715034 188755938 /nfs/dbraw/zinc/75/59/38/188755938.db2.gz GNRBPLLGZLPNGQ-UHFFFAOYSA-N 0 3 298.308 2.484 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN[C@@H](CCO)c2ccccc2)cc1 ZINC000271776513 191318296 /nfs/dbraw/zinc/31/82/96/191318296.db2.gz OOHANYHHUBDHLH-ROUUACIJSA-N 0 3 296.370 2.305 20 30 CEEDHN C=CCOc1ccccc1C(=O)NCC1=CCN(C)CC1 ZINC000271893311 191395942 /nfs/dbraw/zinc/39/59/42/191395942.db2.gz OUZALCDWLXZIEB-UHFFFAOYSA-N 0 3 286.375 2.243 20 30 CEEDHN N#Cc1ccc(CNC2(CO)CC2)c(C(F)(F)F)c1 ZINC000356434406 283144825 /nfs/dbraw/zinc/14/48/25/283144825.db2.gz WQOPRMLMPIZIAS-UHFFFAOYSA-N 0 3 270.254 2.192 20 30 CEEDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000338297723 366281263 /nfs/dbraw/zinc/28/12/63/366281263.db2.gz QYLQYVYRMWBBBS-MNOVXSKESA-N 0 3 278.327 2.375 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CCC[C@H]2CCC[C@@H]21)C1CC1 ZINC000075768675 363487839 /nfs/dbraw/zinc/48/78/39/363487839.db2.gz PXSYTIIVHMOMBY-IVMMDQJWSA-N 0 3 275.396 2.059 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](NCCNC(=O)c1ccco1)CC2 ZINC000353277638 283198064 /nfs/dbraw/zinc/19/80/64/283198064.db2.gz PGXIJXBLKOWNSU-OAHLLOKOSA-N 0 3 295.342 2.158 20 30 CEEDHN C=CCOCCNCc1ccc(O)c(OCC)c1 ZINC000302312544 538865883 /nfs/dbraw/zinc/86/58/83/538865883.db2.gz CXNCFKVJIYUGPP-UHFFFAOYSA-N 0 3 251.326 2.083 20 30 CEEDHN NC(=O)C[C@H](NCC#Cc1ccccc1)C1CCCCC1 ZINC000192179184 283294022 /nfs/dbraw/zinc/29/40/22/283294022.db2.gz PUWAOOGRNUUKJF-KRWDZBQOSA-N 0 3 284.403 2.452 20 30 CEEDHN Cc1cc(CN(CCOCCO)C(C)C)ccc1C#N ZINC000338592361 366430740 /nfs/dbraw/zinc/43/07/40/366430740.db2.gz DRPPDGRBQPNWNC-UHFFFAOYSA-N 0 3 276.380 2.086 20 30 CEEDHN Cc1ccc(N2CC[C@]3(C2)CCCN(C)C3)nc1C#N ZINC000338749112 366500795 /nfs/dbraw/zinc/50/07/95/366500795.db2.gz NCAMDASLSQDKOH-MRXNPFEDSA-N 0 3 270.380 2.184 20 30 CEEDHN CN(C)Cc1cccc(CNC[C@H](C#N)CCC#N)c1 ZINC000578640141 366526205 /nfs/dbraw/zinc/52/62/05/366526205.db2.gz OMHHAGSYELKDRJ-INIZCTEOSA-N 0 3 270.380 2.281 20 30 CEEDHN C=CCC[C@H](NCCC1CS(=O)(=O)C1)c1ccco1 ZINC000671762013 540505198 /nfs/dbraw/zinc/50/51/98/540505198.db2.gz QUWJXWGGBKJOQG-ZDUSSCGKSA-N 0 3 283.393 2.311 20 30 CEEDHN CC[C@@H](CNc1nccc(C#N)c1Cl)N1CCCC1 ZINC000341559265 216014127 /nfs/dbraw/zinc/01/41/27/216014127.db2.gz FLBYJJAQQNTCND-LBPRGKRZSA-N 0 3 278.787 2.315 20 30 CEEDHN C=C[C@](C)(O)C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000668032289 540557179 /nfs/dbraw/zinc/55/71/79/540557179.db2.gz ZAQBHFTXKRMSAB-KRWDZBQOSA-N 0 3 290.407 2.034 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCN(CC(F)F)C2)c(F)c1 ZINC000418138104 237317258 /nfs/dbraw/zinc/31/72/58/237317258.db2.gz SFCAJVHTOOKWCK-GFCCVEGCSA-N 0 3 283.297 2.126 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCN(CC(F)F)C2)s1 ZINC000418142414 237321517 /nfs/dbraw/zinc/32/15/17/237321517.db2.gz YCOLTYGSSSYMMJ-SECBINFHSA-N 0 3 271.336 2.049 20 30 CEEDHN C=CCOCCN[C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000672607852 540629064 /nfs/dbraw/zinc/62/90/64/540629064.db2.gz KVDZIYSTSZVWJF-ZDUSSCGKSA-N 0 3 272.352 2.121 20 30 CEEDHN C=C(C)CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000578955873 366570285 /nfs/dbraw/zinc/57/02/85/366570285.db2.gz DYRLELOLSUKLHD-INIZCTEOSA-N 0 3 287.407 2.376 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNc1cc(C#N)ccn1 ZINC000579037363 366585302 /nfs/dbraw/zinc/58/53/02/366585302.db2.gz BDFDCZYPEFNWGN-CYBMUJFWSA-N 0 3 258.369 2.486 20 30 CEEDHN C[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)N(C)C1CC1 ZINC000151237659 366632550 /nfs/dbraw/zinc/63/25/50/366632550.db2.gz IOAMSMUAGYPWTM-VIFPVBQESA-N 0 3 293.317 2.049 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCO[C@@]3(CCSC3)C2)o1 ZINC000151334657 366640088 /nfs/dbraw/zinc/64/00/88/366640088.db2.gz GCWATWBKMPJJAL-FZMZJTMJSA-N 0 3 278.377 2.296 20 30 CEEDHN N#Cc1ccc(NC(=O)N2CCC(N3CC=CC3)CC2)cc1 ZINC000151436700 366645073 /nfs/dbraw/zinc/64/50/73/366645073.db2.gz QHFQAYMGUVZZRC-UHFFFAOYSA-N 0 3 296.374 2.426 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](C)[C@H]1C ZINC000177910392 189078655 /nfs/dbraw/zinc/07/86/55/189078655.db2.gz NUPGJHPGSIRDPQ-MCIONIFRSA-N 0 3 250.386 2.306 20 30 CEEDHN C#CCCCN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178057362 189088237 /nfs/dbraw/zinc/08/82/37/189088237.db2.gz RTFYACKVXFEVDP-LLVKDONJSA-N 0 3 283.368 2.293 20 30 CEEDHN C=CCOc1ccccc1CNCCc1nncn1CC ZINC000674717951 540770729 /nfs/dbraw/zinc/77/07/29/540770729.db2.gz VUGNBTXFMXOMAJ-UHFFFAOYSA-N 0 3 286.379 2.195 20 30 CEEDHN C=CCC[C@H](NCC(=O)NC(=O)NCC)c1ccccc1 ZINC000180044886 189234228 /nfs/dbraw/zinc/23/42/28/189234228.db2.gz SACAIHFENIASKM-AWEZNQCLSA-N 0 3 289.379 2.129 20 30 CEEDHN COCC#CCN(C)CCCOc1ccccc1C ZINC000677477623 541018354 /nfs/dbraw/zinc/01/83/54/541018354.db2.gz OOQPKFAJQVJMAH-UHFFFAOYSA-N 0 3 261.365 2.346 20 30 CEEDHN COCC#CCN1CC[C@@H](COCc2ccccc2)C1 ZINC000677819906 541046996 /nfs/dbraw/zinc/04/69/96/541046996.db2.gz CZVGYFCYKIKYAW-QGZVFWFLSA-N 0 3 273.376 2.175 20 30 CEEDHN COCC#CCN(C)CCCOc1ccc(F)cc1 ZINC000677816752 541045773 /nfs/dbraw/zinc/04/57/73/541045773.db2.gz BGNJUVOJWWEKDJ-UHFFFAOYSA-N 0 3 265.328 2.176 20 30 CEEDHN C=CCNC(=O)CN[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181162761 189289742 /nfs/dbraw/zinc/28/97/42/189289742.db2.gz SKTJAPVRTDZVMQ-BLLLJJGKSA-N 0 3 258.365 2.120 20 30 CEEDHN C[C@H](NCCN1CCOC(C)(C)C1)c1cccc(C#N)c1 ZINC000181701928 189304793 /nfs/dbraw/zinc/30/47/93/189304793.db2.gz XJKJXXPAIHGWQD-AWEZNQCLSA-N 0 3 287.407 2.320 20 30 CEEDHN Cc1cnn(CCN[C@H](C)c2cccc(C#N)c2)c1 ZINC000181989908 189311881 /nfs/dbraw/zinc/31/18/81/189311881.db2.gz LODFKTHQAYRQFN-CYBMUJFWSA-N 0 3 254.337 2.414 20 30 CEEDHN C=CCCCCCNC(=O)N(C)CCN(C)C1CC1 ZINC000580723374 366780149 /nfs/dbraw/zinc/78/01/49/366780149.db2.gz XRZKMHFZUSXFAP-UHFFFAOYSA-N 0 3 267.417 2.468 20 30 CEEDHN CC(C)(C)[C@H]1NC(=O)CC[C@@H]1NCc1ccc(C#N)cc1 ZINC000353118094 219900364 /nfs/dbraw/zinc/90/03/64/219900364.db2.gz KWOYYQNASJCHEB-HOCLYGCPSA-N 0 3 285.391 2.341 20 30 CEEDHN CC(C)OCCNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000184166813 189378442 /nfs/dbraw/zinc/37/84/42/189378442.db2.gz LXXWIMYBPFRSQS-UHFFFAOYSA-N 0 3 298.390 2.473 20 30 CEEDHN C=C(CC)CN1CCC(c2nnc3n2CCC3)CC1 ZINC000678623823 541160363 /nfs/dbraw/zinc/16/03/63/541160363.db2.gz NGXFPZYSEUBWOY-UHFFFAOYSA-N 0 3 260.385 2.370 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN([C@@H]2CCOC2)CC1 ZINC000678718636 541166470 /nfs/dbraw/zinc/16/64/70/541166470.db2.gz JBIYQMMFYQNUCH-HUUCEWRRSA-N 0 3 252.402 2.138 20 30 CEEDHN CC[C@@H](NCC#CCOC)c1ccc2c(c1)OCCO2 ZINC000678756502 541169008 /nfs/dbraw/zinc/16/90/08/541169008.db2.gz HYNDIBKOCTXHAH-CQSZACIVSA-N 0 3 275.348 2.148 20 30 CEEDHN COCC#CCN[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000678779774 541172613 /nfs/dbraw/zinc/17/26/13/541172613.db2.gz RNVLWUHJSGIKPV-AWEZNQCLSA-N 0 3 269.348 2.173 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)c1cc(C#N)cs1 ZINC000084187784 363802121 /nfs/dbraw/zinc/80/21/21/363802121.db2.gz ANWBHNTYIJDYBU-UHFFFAOYSA-N 0 3 277.393 2.034 20 30 CEEDHN COc1ccc(CN[C@@H](C)[C@H]2CCCO2)cc1C#N ZINC000087822802 363870917 /nfs/dbraw/zinc/87/09/17/363870917.db2.gz RMOWVJZMPHVTPC-SMDDNHRTSA-N 0 3 260.337 2.224 20 30 CEEDHN CN(CCOCC1CC1)CCOc1ccccc1C#N ZINC000088077804 363875868 /nfs/dbraw/zinc/87/58/68/363875868.db2.gz KOFIHWQDTWWETR-UHFFFAOYSA-N 0 3 274.364 2.295 20 30 CEEDHN C[C@H]1C[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])CCN1C ZINC000090795177 364064355 /nfs/dbraw/zinc/06/43/55/364064355.db2.gz YHYOBUDGHRUUNC-CMPLNLGQSA-N 0 3 274.324 2.361 20 30 CEEDHN C[C@H]1CCN(CCCOc2cccc(C#N)c2)C[C@@H]1O ZINC000093344259 364168045 /nfs/dbraw/zinc/16/80/45/364168045.db2.gz KSTOCENJMBZYSS-BBRMVZONSA-N 0 3 274.364 2.030 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000334989936 364316569 /nfs/dbraw/zinc/31/65/69/364316569.db2.gz HGIYCQQFDRORKS-INIZCTEOSA-N 0 3 296.374 2.345 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158538680 366858387 /nfs/dbraw/zinc/85/83/87/366858387.db2.gz DCYBYFZVZDKCIU-MRXNPFEDSA-N 0 3 278.396 2.343 20 30 CEEDHN C=CCOc1ccc(CNCC(C)(C)O)cc1OC ZINC000111385553 364732255 /nfs/dbraw/zinc/73/22/55/364732255.db2.gz HVRFMAFVWLHQFY-UHFFFAOYSA-N 0 3 265.353 2.121 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000335600712 364811974 /nfs/dbraw/zinc/81/19/74/364811974.db2.gz PHHLVPRXQMRAON-CZUORRHYSA-N 0 3 275.396 2.013 20 30 CEEDHN C#CCOc1ccc(CNC[C@H](O)Cc2ccccc2)cc1 ZINC000113337555 364889237 /nfs/dbraw/zinc/88/92/37/364889237.db2.gz DLRPBFQGCSHUPI-GOSISDBHSA-N 0 3 295.382 2.392 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000335583523 212294663 /nfs/dbraw/zinc/29/46/63/212294663.db2.gz GWJLDYHVKKQWRY-HNNXBMFYSA-N 0 3 285.391 2.421 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000118963417 365191576 /nfs/dbraw/zinc/19/15/76/365191576.db2.gz IEAHBMAYQHIESI-INIZCTEOSA-N 0 3 281.363 2.062 20 30 CEEDHN CN(c1cccc(F)c1C#N)[C@@H]1CCN(C2CC2)C1 ZINC000335968998 365233367 /nfs/dbraw/zinc/23/33/67/365233367.db2.gz DXGANYSUDXRABV-GFCCVEGCSA-N 0 3 259.328 2.370 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)Nc2cccc(C#N)c2)CCN1C ZINC000336026746 365309546 /nfs/dbraw/zinc/30/95/46/365309546.db2.gz ZRXPVNPPNXSJFN-BXUZGUMPSA-N 0 3 272.352 2.162 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C(C)C)C1CCC1 ZINC000119785984 365325626 /nfs/dbraw/zinc/32/56/26/365325626.db2.gz DGUIFHGVGUKOHB-UHFFFAOYSA-N 0 3 250.386 2.450 20 30 CEEDHN C=CCN(C)C(=O)Nc1ccccc1CCN(C)C ZINC000275683938 193103723 /nfs/dbraw/zinc/10/37/23/193103723.db2.gz QKRYTBGBXQJNMX-UHFFFAOYSA-N 0 3 261.369 2.440 20 30 CEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C#N)s2)C1 ZINC000336109406 365419549 /nfs/dbraw/zinc/41/95/49/365419549.db2.gz XEANARBTHDJLHE-AAEUAGOBSA-N 0 3 289.404 2.176 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000120328387 365407779 /nfs/dbraw/zinc/40/77/79/365407779.db2.gz LVNWDUQAFBDTDT-KBPBESRZSA-N 0 3 288.391 2.262 20 30 CEEDHN C[C@@H](N[C@@H]1CNCCC1(F)F)c1ccc(C#N)c(F)c1 ZINC000335566428 212275863 /nfs/dbraw/zinc/27/58/63/212275863.db2.gz ANJNFCJBUWSVGJ-NOZJJQNGSA-N 0 3 283.297 2.345 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)C[C@H]1CCCOC1 ZINC000120908884 365493580 /nfs/dbraw/zinc/49/35/80/365493580.db2.gz FYKJRZAXVMVBTI-CQSZACIVSA-N 0 3 274.364 2.425 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@@H]1CCCCN1 ZINC000159677086 366938745 /nfs/dbraw/zinc/93/87/45/366938745.db2.gz SNZOVELWBOBSMH-AWEZNQCLSA-N 0 3 274.364 2.010 20 30 CEEDHN N#Cc1cnn2cc(CNCCc3cccc(F)c3)cnc12 ZINC000572382767 299363255 /nfs/dbraw/zinc/36/32/55/299363255.db2.gz DXTXELQPJZWHFA-UHFFFAOYSA-N 0 3 295.321 2.072 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000680998261 541486031 /nfs/dbraw/zinc/48/60/31/541486031.db2.gz ZNBDLZYTKTZGCO-OCCSQVGLSA-N 0 3 250.386 2.189 20 30 CEEDHN C[C@H](NC[C@H](O)CN(C)CCC#N)c1ccc(Cl)cc1 ZINC000583689056 367084194 /nfs/dbraw/zinc/08/41/94/367084194.db2.gz QISWAJMSRWNYHI-WFASDCNBSA-N 0 3 295.814 2.197 20 30 CEEDHN N#Cc1cnn2cc(CN3C[C@@H](C4CC4)[C@H]3C3CC3)cnc12 ZINC000584530094 367169012 /nfs/dbraw/zinc/16/90/12/367169012.db2.gz LEZPHQUTOPVRFK-JKSUJKDBSA-N 0 3 293.374 2.221 20 30 CEEDHN C=CCSCCNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000594227037 367206151 /nfs/dbraw/zinc/20/61/51/367206151.db2.gz RGZGYJCMXLKIGL-UHFFFAOYSA-N 0 3 299.484 2.421 20 30 CEEDHN N#Cc1cccc(OC2CCN(CCn3ccnc3)CC2)c1 ZINC000162941668 367206434 /nfs/dbraw/zinc/20/64/34/367206434.db2.gz JNGDGWQIHFQGDO-UHFFFAOYSA-N 0 3 296.374 2.298 20 30 CEEDHN C=CC[C@H](CO)CNCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000341258860 367250907 /nfs/dbraw/zinc/25/09/07/367250907.db2.gz LHXMOMQOHPIIRJ-STQMWFEESA-N 0 3 291.391 2.293 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000341367237 367307337 /nfs/dbraw/zinc/30/73/37/367307337.db2.gz HFKCEOKYVCYWHZ-MELADBBJSA-N 0 3 267.417 2.323 20 30 CEEDHN C=CCN(CC=C)[C@H](CNc1nccc(CO)n1)C(C)C ZINC000341388077 367314780 /nfs/dbraw/zinc/31/47/80/367314780.db2.gz UWDORKCFOOQIBH-OAHLLOKOSA-N 0 3 290.411 2.079 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000342407349 367406778 /nfs/dbraw/zinc/40/67/78/367406778.db2.gz LYONBQBMZNSTDW-UMVBOHGHSA-N 0 3 263.385 2.011 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000342437525 367409540 /nfs/dbraw/zinc/40/95/40/367409540.db2.gz NJPMLUABKOGPAY-ZMSDIMECSA-N 0 3 294.439 2.300 20 30 CEEDHN COCCN1CCC(Nc2ncc(C#N)cc2Cl)CC1 ZINC000171068975 367469875 /nfs/dbraw/zinc/46/98/75/367469875.db2.gz IPNCEYLJEWEKOT-UHFFFAOYSA-N 0 3 294.786 2.129 20 30 CEEDHN COCCN(CCCCCO)Cc1ccc(C#N)cc1 ZINC000171146839 367489535 /nfs/dbraw/zinc/48/95/35/367489535.db2.gz DYOONQIBPHEZAP-UHFFFAOYSA-N 0 3 276.380 2.169 20 30 CEEDHN CS[C@@H]1CN(c2nccc(C#N)c2Cl)C[C@@H]1N(C)C ZINC000342702976 367490937 /nfs/dbraw/zinc/49/09/37/367490937.db2.gz OPQAOOYTRFOLBA-WDEREUQCSA-N 0 3 296.827 2.088 20 30 CEEDHN CS[C@H]1CN(Cc2ccc(F)cc2C#N)C[C@@H]1N(C)C ZINC000342572026 367428707 /nfs/dbraw/zinc/42/87/07/367428707.db2.gz GBATXUJBAAWUED-GJZGRUSLSA-N 0 3 293.411 2.175 20 30 CEEDHN CN(C)Cc1ccc(C(=O)NCCCCC#N)cc1 ZINC000171500377 367556624 /nfs/dbraw/zinc/55/66/24/367556624.db2.gz ZNXOONTUNDNTAY-UHFFFAOYSA-N 0 3 259.353 2.172 20 30 CEEDHN C=CCCN(C)Cc1cc(=O)n2c(C)cccc2n1 ZINC000342726854 367501160 /nfs/dbraw/zinc/50/11/60/367501160.db2.gz ABJWOHHNYIESKQ-UHFFFAOYSA-N 0 3 257.337 2.011 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C/c2ccccc2C#N)CC1 ZINC000171721368 367602371 /nfs/dbraw/zinc/60/23/71/367602371.db2.gz LRSRHLYGVPMTBD-BQYQJAHWSA-N 0 3 295.386 2.338 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cccc(CC#N)c1 ZINC000172234694 367701658 /nfs/dbraw/zinc/70/16/58/367701658.db2.gz JSIUYAAGVMSDIC-OAHLLOKOSA-N 0 3 285.391 2.166 20 30 CEEDHN CCOC[C@H](O)CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000172190228 367693785 /nfs/dbraw/zinc/69/37/85/367693785.db2.gz SFQGZBGLCLNSBR-XJKSGUPXSA-N 0 3 276.380 2.339 20 30 CEEDHN C=CCSCCNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000245967174 370894564 /nfs/dbraw/zinc/89/45/64/370894564.db2.gz NOBMTSLRVURAKX-KBPBESRZSA-N 0 3 297.468 2.031 20 30 CEEDHN C=CCC[C@H](O)CN(C)C[C@H]1COc2ccccc2O1 ZINC000245977927 370896506 /nfs/dbraw/zinc/89/65/06/370896506.db2.gz CKJRLGNRSWRWPX-KBPBESRZSA-N 0 3 277.364 2.085 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CCSCC)CC1 ZINC000173198968 367883691 /nfs/dbraw/zinc/88/36/91/367883691.db2.gz BVZUNCXLLACTCH-ZDUSSCGKSA-N 0 3 299.484 2.468 20 30 CEEDHN Cc1ccoc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000343576089 367894319 /nfs/dbraw/zinc/89/43/19/367894319.db2.gz BBRLSTULBNOMHB-OAHLLOKOSA-N 0 3 293.326 2.458 20 30 CEEDHN C=CCC(CC=C)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000343674843 367948142 /nfs/dbraw/zinc/94/81/42/367948142.db2.gz NWQDYXOSQUCQET-OAHLLOKOSA-N 0 3 262.397 2.450 20 30 CEEDHN CS[C@H]1CN(Cc2cccc(C#N)c2F)C[C@H]1N(C)C ZINC000343675374 367948535 /nfs/dbraw/zinc/94/85/35/367948535.db2.gz SQMFELYKIZYTAY-KGLIPLIRSA-N 0 3 293.411 2.175 20 30 CEEDHN C=CCN(CCN1CCNC1=O)CC1CCCCC1 ZINC000343860179 368044620 /nfs/dbraw/zinc/04/46/20/368044620.db2.gz MCHKOEOHJGHBKD-UHFFFAOYSA-N 0 3 265.401 2.080 20 30 CEEDHN C#CCOc1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc1 ZINC000174644318 368052550 /nfs/dbraw/zinc/05/25/50/368052550.db2.gz MHEAGIOEXFGCKP-JKSUJKDBSA-N 0 3 298.386 2.007 20 30 CEEDHN CC(=O)C[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000343876271 368053056 /nfs/dbraw/zinc/05/30/56/368053056.db2.gz VJXQHSUSMDKPDL-SWLSCSKDSA-N 0 3 272.348 2.243 20 30 CEEDHN C[C@@H](CNCc1ccc(C#N)o1)N1CCC(C)CC1 ZINC000174320774 368011295 /nfs/dbraw/zinc/01/12/95/368011295.db2.gz FQMFAZKIIPUWLH-ZDUSSCGKSA-N 0 3 261.369 2.361 20 30 CEEDHN COc1ccc(CNC[C@H](O)CC(C)(C)C)cc1C#N ZINC000174406345 368019593 /nfs/dbraw/zinc/01/95/93/368019593.db2.gz PLMXXJHPFWKHBR-CQSZACIVSA-N 0 3 276.380 2.454 20 30 CEEDHN C=CCN1CCC(NC(=O)NCc2ccc(C)o2)CC1 ZINC000633039199 368032571 /nfs/dbraw/zinc/03/25/71/368032571.db2.gz BGURUEDEBPBINT-UHFFFAOYSA-N 0 3 277.368 2.038 20 30 CEEDHN CCC(CC)N(CC)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000344034503 368104128 /nfs/dbraw/zinc/10/41/28/368104128.db2.gz RNCRCBSWMSGCMN-OAHLLOKOSA-N 0 3 265.401 2.305 20 30 CEEDHN C[C@H](NC[C@H]1CN(C2CC2)CCO1)c1ccc(C#N)cc1 ZINC000344301226 368118160 /nfs/dbraw/zinc/11/81/60/368118160.db2.gz RMVOCUGSVAUCOU-GUYCJALGSA-N 0 3 285.391 2.072 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](CC(N)=O)C1 ZINC000175258078 368118798 /nfs/dbraw/zinc/11/87/98/368118798.db2.gz FEWLXGIARDVRLZ-TZMCWYRMSA-N 0 3 271.364 2.207 20 30 CEEDHN COc1ccc(C2(CNC(=O)C(C)C#N)CCC2)cc1 ZINC000345703226 368379304 /nfs/dbraw/zinc/37/93/04/368379304.db2.gz XOOBNFRPVLGSNN-LBPRGKRZSA-N 0 3 272.348 2.393 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000180897768 368400962 /nfs/dbraw/zinc/40/09/62/368400962.db2.gz QRAVKYLCCITPKX-STQMWFEESA-N 0 3 253.390 2.125 20 30 CEEDHN C[C@@H](CNC(=O)Cc1ccc(C#N)cc1)N1CCCC[C@@H]1C ZINC000345882668 368468259 /nfs/dbraw/zinc/46/82/59/368468259.db2.gz XPPCFNZPOVCLNB-GJZGRUSLSA-N 0 3 299.418 2.480 20 30 CEEDHN COCCOC[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346128261 368551712 /nfs/dbraw/zinc/55/17/12/368551712.db2.gz JWCWOCYNXSKOMD-VXGBXAGGSA-N 0 3 280.343 2.399 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)NC[C@H](C)C#N)N(C)C)cc1 ZINC000182615682 368571842 /nfs/dbraw/zinc/57/18/42/368571842.db2.gz VMSMZACSDIADBX-HIFRSBDPSA-N 0 3 288.395 2.057 20 30 CEEDHN CC(=O)NC1CCC(N(C)Cc2ccc(C#N)o2)CC1 ZINC000346262820 368612118 /nfs/dbraw/zinc/61/21/18/368612118.db2.gz CHRYMHWBPFTEON-UHFFFAOYSA-N 0 3 275.352 2.030 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)o1 ZINC000246179703 370923206 /nfs/dbraw/zinc/92/32/06/370923206.db2.gz SHPFTWHDOATYQN-MGPQQGTHSA-N 0 3 258.321 2.198 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc(OC)c(O)cc1Cl ZINC000639044250 370924773 /nfs/dbraw/zinc/92/47/73/370924773.db2.gz ILWMONPBCXREJD-JTQLQIEISA-N 0 3 271.744 2.081 20 30 CEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)C2(C#N)CCCCC2)C1 ZINC000246174503 370921001 /nfs/dbraw/zinc/92/10/01/370921001.db2.gz BMOZFXVTFUADNQ-GJZGRUSLSA-N 0 3 289.423 2.403 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000448783622 261089771 /nfs/dbraw/zinc/08/97/71/261089771.db2.gz UOQIDWCIWGLOLX-STQMWFEESA-N 0 3 252.402 2.435 20 30 CEEDHN C=CCC[C@@H](NCc1nnnn1-c1ccccc1)C1CC1 ZINC000346728871 368787577 /nfs/dbraw/zinc/78/75/77/368787577.db2.gz BPYOFLGCCCHPJU-OAHLLOKOSA-N 0 3 283.379 2.497 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@@H]1CCCOC1 ZINC000348143662 368918632 /nfs/dbraw/zinc/91/86/32/368918632.db2.gz PZXPNDPHJAOISV-GXTWGEPZSA-N 0 3 274.364 2.472 20 30 CEEDHN CCCN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348193105 368943933 /nfs/dbraw/zinc/94/39/33/368943933.db2.gz KMOMVOAESZDQPM-CQSZACIVSA-N 0 3 255.321 2.109 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000186686207 369019434 /nfs/dbraw/zinc/01/94/34/369019434.db2.gz NVPBIZYXDZISHA-DGCLKSJQSA-N 0 3 264.325 2.491 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2coc(C)c2)CC1 ZINC000186688683 369019932 /nfs/dbraw/zinc/01/99/32/369019932.db2.gz ISGHUELTOSITHL-UHFFFAOYSA-N 0 3 262.353 2.358 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000186699699 369022586 /nfs/dbraw/zinc/02/25/86/369022586.db2.gz QCBNMCDZXAPHKC-AAEUAGOBSA-N 0 3 265.353 2.291 20 30 CEEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc(OC)ncc1F ZINC000348374555 369022659 /nfs/dbraw/zinc/02/26/59/369022659.db2.gz JPDPRLPQPKFBPC-QWRGUYRKSA-N 0 3 268.332 2.065 20 30 CEEDHN CCS[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)N(C)CCC#N ZINC000348463322 369053612 /nfs/dbraw/zinc/05/36/12/369053612.db2.gz AJXVBKLYMNTDRN-RWMBFGLXSA-N 0 3 283.441 2.011 20 30 CEEDHN N#CC(C(=O)c1cc(=O)[nH]c(C2CC2)c1)c1ccccn1 ZINC000187475192 369166559 /nfs/dbraw/zinc/16/65/59/369166559.db2.gz KKCJGMSWPAHUCH-LBPRGKRZSA-N 0 3 279.299 2.137 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCC=C(C)C)CC1 ZINC000188681756 369394301 /nfs/dbraw/zinc/39/43/01/369394301.db2.gz WFLCCPQMWOMVHP-UHFFFAOYSA-N 0 3 265.401 2.292 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(C#N)cc1 ZINC000330880669 203346179 /nfs/dbraw/zinc/34/61/79/203346179.db2.gz BOEQKBVMKYHDCE-CHWSQXEVSA-N 0 3 271.364 2.047 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@H]2C=CCCC2)CC1 ZINC000189277375 369488345 /nfs/dbraw/zinc/48/83/45/369488345.db2.gz RIDNFPHXENAZJM-AWEZNQCLSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCCN(C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000276338082 193292244 /nfs/dbraw/zinc/29/22/44/193292244.db2.gz FTXGSFXCWUANPF-MRXNPFEDSA-N 0 3 289.423 2.377 20 30 CEEDHN C=CCCN(C)CC(=O)N1CCc2sccc2C1 ZINC000276452136 193335820 /nfs/dbraw/zinc/33/58/20/193335820.db2.gz PQMFXUXDPIRLBF-UHFFFAOYSA-N 0 3 264.394 2.141 20 30 CEEDHN C=CCC[C@H](O)CN1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000351472113 369636767 /nfs/dbraw/zinc/63/67/67/369636767.db2.gz OFEXAICSTOGNRM-JYJNAYRXSA-N 0 3 282.428 2.035 20 30 CEEDHN C=CC[C@@H](CO)NCc1cnc(-c2ccccn2)s1 ZINC000351602280 369644223 /nfs/dbraw/zinc/64/42/23/369644223.db2.gz IBGASYBWXXWFRC-NSHDSACASA-N 0 3 275.377 2.232 20 30 CEEDHN C=CCN1CC[C@H](N(CC)[C@H]2CCOC(C)(C)C2)C1=O ZINC000351920330 369656080 /nfs/dbraw/zinc/65/60/80/369656080.db2.gz ZRXFPQHXBKGHSO-KBPBESRZSA-N 0 3 280.412 2.053 20 30 CEEDHN C#CCOc1ccc(CN[C@@H](C)[C@H](C)C(=O)OCC)cc1 ZINC000190958032 369663496 /nfs/dbraw/zinc/66/34/96/369663496.db2.gz KUCRFAHFWHRBPK-KBPBESRZSA-N 0 3 289.375 2.376 20 30 CEEDHN C#CCOc1ccc(CN[C@@H](C)[C@@H](C)C(=O)OCC)cc1 ZINC000190958048 369664068 /nfs/dbraw/zinc/66/40/68/369664068.db2.gz KUCRFAHFWHRBPK-KGLIPLIRSA-N 0 3 289.375 2.376 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCSC[C@@H](C)C1 ZINC000190449285 369625158 /nfs/dbraw/zinc/62/51/58/369625158.db2.gz LZKSZLXGUARGDW-KBPBESRZSA-N 0 3 282.453 2.260 20 30 CEEDHN C=CCc1cc(CNC[C@@H](C)OC)cc(OC)c1O ZINC000191151479 369685650 /nfs/dbraw/zinc/68/56/50/369685650.db2.gz LFKBJKMSZWYHFS-LLVKDONJSA-N 0 3 265.353 2.254 20 30 CEEDHN COc1cccc(O[C@H](C)CNCc2cc(C#N)n(C)c2)c1 ZINC000191218012 369692084 /nfs/dbraw/zinc/69/20/84/369692084.db2.gz WQBXMVONKCFIRN-CYBMUJFWSA-N 0 3 299.374 2.462 20 30 CEEDHN C(#Cc1ccccc1)CN1CCC(CN2CCOCC2)CC1 ZINC000191946637 369755942 /nfs/dbraw/zinc/75/59/42/369755942.db2.gz BTRMDWWSXSVZFL-UHFFFAOYSA-N 0 3 298.430 2.082 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@]1(CO)CC(C)C ZINC000191641269 369729031 /nfs/dbraw/zinc/72/90/31/369729031.db2.gz HWACYLGLLISQDH-KRWDZBQOSA-N 0 3 294.439 2.060 20 30 CEEDHN CCCCCCCCN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000192643210 369838477 /nfs/dbraw/zinc/83/84/77/369838477.db2.gz CHMAPHAZMUPIRA-HNNXBMFYSA-N 0 3 281.400 2.021 20 30 CEEDHN N#Cc1cc(CN[C@H](CO)C2CCCC2)ccc1F ZINC000352703742 369846439 /nfs/dbraw/zinc/84/64/39/369846439.db2.gz CIEZLZBVFCWATP-OAHLLOKOSA-N 0 3 262.328 2.338 20 30 CEEDHN C#CCOc1ccccc1CNCCOCC1CC1 ZINC000224535753 370280209 /nfs/dbraw/zinc/28/02/09/370280209.db2.gz GPIZYVPZLHEYHM-UHFFFAOYSA-N 0 3 259.349 2.215 20 30 CEEDHN C[C@@H](Cn1cccn1)NCc1ccc(F)c(C#N)c1 ZINC000229749978 370431320 /nfs/dbraw/zinc/43/13/20/370431320.db2.gz GLNLTVAWZWNWPR-NSHDSACASA-N 0 3 258.300 2.072 20 30 CEEDHN CO[C@@]1(C)CCCN(CCOc2ccccc2C#N)C1 ZINC000230265075 370449258 /nfs/dbraw/zinc/44/92/58/370449258.db2.gz ZKNDPNNGRAZLRG-INIZCTEOSA-N 0 3 274.364 2.438 20 30 CEEDHN COc1cc(CN2CCC[C@](C)(O)CC2)ccc1C#N ZINC000230352653 370453901 /nfs/dbraw/zinc/45/39/01/370453901.db2.gz CRMCBUJQMDZSTI-INIZCTEOSA-N 0 3 274.364 2.304 20 30 CEEDHN N#CC[C@@H](CC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000355116233 370508940 /nfs/dbraw/zinc/50/89/40/370508940.db2.gz RXPHJTGWQIFZRA-JKSUJKDBSA-N 0 3 297.402 2.427 20 30 CEEDHN C#CCSCCNCc1ccc(O)c(OCC)c1 ZINC000231936602 370498464 /nfs/dbraw/zinc/49/84/64/370498464.db2.gz YGFZNXSBZROSRE-UHFFFAOYSA-N 0 3 265.378 2.247 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H]1CCO[C@H]1C1CC1 ZINC000234851501 370545639 /nfs/dbraw/zinc/54/56/39/370545639.db2.gz BKWRYPSIRRJHQR-HOCLYGCPSA-N 0 3 272.348 2.224 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000234850471 370546215 /nfs/dbraw/zinc/54/62/15/370546215.db2.gz BKWRYPSIRRJHQR-ZBFHGGJFSA-N 0 3 272.348 2.224 20 30 CEEDHN COc1cc(CNCCc2ccco2)ccc1C#N ZINC000234911618 370550026 /nfs/dbraw/zinc/55/00/26/370550026.db2.gz ASJVHQMNGVPMJM-UHFFFAOYSA-N 0 3 256.305 2.492 20 30 CEEDHN COc1cc(CN[C@@H](C)[C@@H]2CCCO2)ccc1C#N ZINC000234937046 370551111 /nfs/dbraw/zinc/55/11/11/370551111.db2.gz WDSUPYNERFBJHX-FZMZJTMJSA-N 0 3 260.337 2.224 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000355480670 370569720 /nfs/dbraw/zinc/56/97/20/370569720.db2.gz QMBVUBITLROTPH-IUODEOHRSA-N 0 3 265.401 2.163 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCO[C@H]2C2CC2)c1F ZINC000236278029 370586607 /nfs/dbraw/zinc/58/66/07/370586607.db2.gz HSTQMHOCWFJYQM-ZFWWWQNUSA-N 0 3 260.312 2.354 20 30 CEEDHN CCCN1CCC[C@@H]1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000358320344 371011656 /nfs/dbraw/zinc/01/16/56/371011656.db2.gz ZVCODWZOISYTDC-CQSZACIVSA-N 0 3 292.427 2.196 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](Cc2ccccc2)C1 ZINC000247112608 371066247 /nfs/dbraw/zinc/06/62/47/371066247.db2.gz YMNMXKYOPLDLLU-WBVHZDCISA-N 0 3 299.418 2.312 20 30 CEEDHN CC#CCNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000358473254 371080230 /nfs/dbraw/zinc/08/02/30/371080230.db2.gz FTZOSWFXFGOAID-MRXNPFEDSA-N 0 3 287.407 2.174 20 30 CEEDHN C=CCC[C@H](O)CN(C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000247324183 371093974 /nfs/dbraw/zinc/09/39/74/371093974.db2.gz ITVOQORASDRMFD-STQMWFEESA-N 0 3 286.416 2.159 20 30 CEEDHN CC(C)[C@H](CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000358572545 371123406 /nfs/dbraw/zinc/12/34/06/371123406.db2.gz QIHMFVONLWACSL-YGRLFVJLSA-N 0 3 250.317 2.365 20 30 CEEDHN COC(=O)[C@H](C)CN(C)[C@H](C)c1ccc(C#N)cc1 ZINC000265528919 284249962 /nfs/dbraw/zinc/24/99/62/284249962.db2.gz PKCQSOVNUIDDQZ-VXGBXAGGSA-N 0 3 260.337 2.360 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](C)CC1 ZINC000249823382 371365796 /nfs/dbraw/zinc/36/57/96/371365796.db2.gz IDAYPKDFDMDNLZ-ZIAGYGMSSA-N 0 3 265.401 2.117 20 30 CEEDHN N#Cc1cc(Cl)ccc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252553512 371456379 /nfs/dbraw/zinc/45/63/79/371456379.db2.gz REKNSLYJMNEARQ-KBPBESRZSA-N 0 3 291.782 2.487 20 30 CEEDHN CC#CCN1CCC(Cc2nc(C(C)C)n[nH]2)CC1 ZINC000639716325 371516752 /nfs/dbraw/zinc/51/67/52/371516752.db2.gz LOSSISUAIURJES-UHFFFAOYSA-N 0 3 260.385 2.206 20 30 CEEDHN OCC1([C@H](NCC#Cc2ccccc2)[C@@H]2CCCO2)CCC1 ZINC000639765250 371553330 /nfs/dbraw/zinc/55/33/30/371553330.db2.gz HJUGQIVCYPANHZ-ZWKOTPCHSA-N 0 3 299.414 2.338 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@@]1(O)CCN(CC=C)C1 ZINC000639963204 371700250 /nfs/dbraw/zinc/70/02/50/371700250.db2.gz VBPHLFKEFMGTML-GOSISDBHSA-N 0 3 286.419 2.297 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1cccc(C#N)c1 ZINC000265161825 372015340 /nfs/dbraw/zinc/01/53/40/372015340.db2.gz FWLVMDYAUYFTBS-AWEZNQCLSA-N 0 3 286.379 2.364 20 30 CEEDHN COc1ccc([C@H](C)N[C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000264829203 372006265 /nfs/dbraw/zinc/00/62/65/372006265.db2.gz CQCHYCMOWBEMDQ-QWHCGFSZSA-N 0 3 289.379 2.106 20 30 CEEDHN CS[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@@H]1N(C)C ZINC000361864590 372106574 /nfs/dbraw/zinc/10/65/74/372106574.db2.gz BNAPGOGIXZCFFA-LSDHHAIUSA-N 0 3 293.411 2.175 20 30 CEEDHN CC[C@H](C)[C@@H](O)CNCc1ccc(C#N)cc1F ZINC000344218880 217104251 /nfs/dbraw/zinc/10/42/51/217104251.db2.gz LALZBEBEZNIAGL-HZMBPMFUSA-N 0 3 250.317 2.194 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000267628026 372078414 /nfs/dbraw/zinc/07/84/14/372078414.db2.gz LSDHJSZCTSBRKE-YPMHNXCESA-N 0 3 288.351 2.243 20 30 CEEDHN N#Cc1ccc(CNCCCN2CCCCC2=O)c(F)c1 ZINC000344279206 217130613 /nfs/dbraw/zinc/13/06/13/217130613.db2.gz ZQXVYKZPAPRLSR-UHFFFAOYSA-N 0 3 289.354 2.190 20 30 CEEDHN C=CCCCCn1cc([C@@H](N)C2CCOCC2)nn1 ZINC000640938989 372184533 /nfs/dbraw/zinc/18/45/33/372184533.db2.gz IECFOJFWUMRWDZ-AWEZNQCLSA-N 0 3 264.373 2.061 20 30 CEEDHN C=CCCCCCn1cc([C@H](N)C2CCOCC2)nn1 ZINC000641045181 372251823 /nfs/dbraw/zinc/25/18/23/372251823.db2.gz MNPKAGOZBIRJIV-OAHLLOKOSA-N 0 3 278.400 2.451 20 30 CEEDHN C[C@@H]1CN(CCCCNc2cccc(C#N)n2)C[C@@H](C)O1 ZINC000269038507 372321015 /nfs/dbraw/zinc/32/10/15/372321015.db2.gz LOBTZCQQFMUVLD-ZIAGYGMSSA-N 0 3 288.395 2.255 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000269246147 372396893 /nfs/dbraw/zinc/39/68/93/372396893.db2.gz ZNNOKEKIYUKSSU-LBPRGKRZSA-N 0 3 274.364 2.252 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)CCN(C)c1ccncc1 ZINC000683883649 541876282 /nfs/dbraw/zinc/87/62/82/541876282.db2.gz GSYPBSRZQWGVJW-CQSZACIVSA-N 0 3 273.380 2.475 20 30 CEEDHN CCN(CCC(=O)OC)Cc1ccc(C#N)c(C)c1 ZINC000362909799 372568128 /nfs/dbraw/zinc/56/81/28/372568128.db2.gz ZGUDBXSKHQIRGP-UHFFFAOYSA-N 0 3 260.337 2.252 20 30 CEEDHN Cc1cc(CN2CCN(C(C)C)CC2)ccc1C#N ZINC000362952317 372586526 /nfs/dbraw/zinc/58/65/26/372586526.db2.gz QUAHYQUTBCPUDL-UHFFFAOYSA-N 0 3 257.381 2.393 20 30 CEEDHN COC(=O)[C@H](C)CN(C)Cc1ccc(C#N)c(C)c1 ZINC000362956709 372588218 /nfs/dbraw/zinc/58/82/18/372588218.db2.gz BZYWFVQSCYVGMO-GFCCVEGCSA-N 0 3 260.337 2.108 20 30 CEEDHN CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000344453957 217196282 /nfs/dbraw/zinc/19/62/82/217196282.db2.gz BVKJXEZVMLUQRA-GWCFXTLKSA-N 0 3 298.433 2.065 20 30 CEEDHN C#CCSCCNCc1cnc([C@@H]2CCCO2)s1 ZINC000270060711 372651793 /nfs/dbraw/zinc/65/17/93/372651793.db2.gz GKJAJZVGRBPKTF-LBPRGKRZSA-N 0 3 282.434 2.451 20 30 CEEDHN C=CCC[C@@H](CO)NCc1c[nH]nc1C(C)(C)C ZINC000641760879 372697928 /nfs/dbraw/zinc/69/79/28/372697928.db2.gz YRICRHOBVBRMBJ-LBPRGKRZSA-N 0 3 251.374 2.124 20 30 CEEDHN CC#CC[C@H](CO)NCc1cc(C)ccc1OC(F)F ZINC000641767716 372707330 /nfs/dbraw/zinc/70/73/30/372707330.db2.gz PRZRUARFKPDFJS-CYBMUJFWSA-N 0 3 283.318 2.460 20 30 CEEDHN CC#CC[C@H](CO)NCc1cn(CC)nc1-c1ccccc1 ZINC000641768211 372708731 /nfs/dbraw/zinc/70/87/31/372708731.db2.gz SJFQYJSFGRDNHY-QGZVFWFLSA-N 0 3 297.402 2.434 20 30 CEEDHN C=CCOc1ccc(CN[C@H](CO)CC#CC)cc1OC ZINC000641768912 372709212 /nfs/dbraw/zinc/70/92/12/372709212.db2.gz LOIOYFMKSHBUFI-HNNXBMFYSA-N 0 3 289.375 2.124 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc(OCCC)cc1 ZINC000641768600 372709273 /nfs/dbraw/zinc/70/92/73/372709273.db2.gz DCVNNSYRPBPUJQ-HNNXBMFYSA-N 0 3 261.365 2.339 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc(OC(F)F)cc1 ZINC000641768717 372709368 /nfs/dbraw/zinc/70/93/68/372709368.db2.gz GMPDOPUMTBJRAM-GFCCVEGCSA-N 0 3 269.291 2.152 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cccc(OC(F)(F)F)c1 ZINC000641768523 372710363 /nfs/dbraw/zinc/71/03/63/372710363.db2.gz BIVYJXZBNRAZTR-LBPRGKRZSA-N 0 3 287.281 2.449 20 30 CEEDHN C#CCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000270473516 372802679 /nfs/dbraw/zinc/80/26/79/372802679.db2.gz BWAOXNAECNUYPO-UHFFFAOYSA-N 0 3 254.333 2.425 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000365387655 372844940 /nfs/dbraw/zinc/84/49/40/372844940.db2.gz UBBLDVFPEYTLBJ-ZBFHGGJFSA-N 0 3 272.348 2.224 20 30 CEEDHN C#CCOc1ccc(CN2CCC23CCOCC3)cc1 ZINC000365826935 372946938 /nfs/dbraw/zinc/94/69/38/372946938.db2.gz FVJLXULOQRVRJH-UHFFFAOYSA-N 0 3 271.360 2.454 20 30 CEEDHN CCN(CC#CCOC)CCOc1ccccc1C ZINC000643254752 373000028 /nfs/dbraw/zinc/00/00/28/373000028.db2.gz DEMFQVQTMRFHBU-UHFFFAOYSA-N 0 3 261.365 2.346 20 30 CEEDHN C#CCCCN[C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000271064708 373101712 /nfs/dbraw/zinc/10/17/12/373101712.db2.gz UFWPQSBPZPLLEJ-AWEZNQCLSA-N 0 3 264.756 2.044 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCCC12CCC2 ZINC000366782464 373122871 /nfs/dbraw/zinc/12/28/71/373122871.db2.gz WKESQPBRZMTNHI-UHFFFAOYSA-N 0 3 250.386 2.430 20 30 CEEDHN CC(C)C(=O)NCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271927204 373217864 /nfs/dbraw/zinc/21/78/64/373217864.db2.gz JMWDVELSBZZIMP-LLVKDONJSA-N 0 3 277.343 2.120 20 30 CEEDHN N#CCCCOc1cccc(CN2C[C@@H](O)C3(CC3)C2)c1 ZINC000368800479 373262994 /nfs/dbraw/zinc/26/29/94/373262994.db2.gz OTDAZQKWSDEUKZ-MRXNPFEDSA-N 0 3 286.375 2.326 20 30 CEEDHN C[C@@H](O)[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000272621898 373587724 /nfs/dbraw/zinc/58/77/24/373587724.db2.gz UWCAADVOJYBGGT-OCCSQVGLSA-N 0 3 263.768 2.394 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H](Cc1ccccc1)C1CC1 ZINC000272901882 373702060 /nfs/dbraw/zinc/70/20/60/373702060.db2.gz VDMHBFYYDRITEE-MRXNPFEDSA-N 0 3 293.432 2.198 20 30 CEEDHN C#CCN(CCC(=O)N1CCc2sccc2C1)C1CC1 ZINC000274116428 373815817 /nfs/dbraw/zinc/81/58/17/373815817.db2.gz GGHFKHKSHAWSBA-UHFFFAOYSA-N 0 3 288.416 2.121 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NCCOc2ncccc2F)C1 ZINC000274179219 373834373 /nfs/dbraw/zinc/83/43/73/373834373.db2.gz DZMYWPOIFLMNTE-NEPJUHHUSA-N 0 3 263.316 2.271 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CCC[C@H]2C2CCC2)c1 ZINC000371534353 373914174 /nfs/dbraw/zinc/91/41/74/373914174.db2.gz CUSDTTYIBJRBFP-KRWDZBQOSA-N 0 3 297.402 2.439 20 30 CEEDHN C=CCN1CCC(Nc2nccn3nc(C)cc23)CC1 ZINC000274801573 374054558 /nfs/dbraw/zinc/05/45/58/374054558.db2.gz KJYQTYSVXCZCFX-UHFFFAOYSA-N 0 3 271.368 2.100 20 30 CEEDHN CC[C@H]1[C@@H](C)CCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000274962148 374110357 /nfs/dbraw/zinc/11/03/57/374110357.db2.gz JABBQZOKLOMQSE-BBRMVZONSA-N 0 3 285.391 2.295 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000645526296 374093954 /nfs/dbraw/zinc/09/39/54/374093954.db2.gz HYRPBJGYEDZAOL-CYBMUJFWSA-N 0 3 267.417 2.324 20 30 CEEDHN C=C(C)CCNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000645528275 374094557 /nfs/dbraw/zinc/09/45/57/374094557.db2.gz NRYNNKWQQYVLEO-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN C[C@@H](NCc1cc(C#N)n(C)c1)[C@@H](O)c1cccc(F)c1 ZINC000276656592 374253247 /nfs/dbraw/zinc/25/32/47/374253247.db2.gz VFBXJNOIZUBWKG-BDJLRTHQSA-N 0 3 287.338 2.248 20 30 CEEDHN Cn1cc(CN[C@H](CCO)c2ccccc2)cc1C#N ZINC000276974410 374365911 /nfs/dbraw/zinc/36/59/11/374365911.db2.gz QQKWIMCIOYSKJR-MRXNPFEDSA-N 0 3 269.348 2.110 20 30 CEEDHN Cc1ccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1C#N ZINC000374117582 374490993 /nfs/dbraw/zinc/49/09/93/374490993.db2.gz COBLTCORVWJYIK-NVXWUHKLSA-N 0 3 297.402 2.423 20 30 CEEDHN N#Cc1ccc(F)c(CN2CCC[C@@H](c3nc[nH]n3)C2)c1 ZINC000374053433 374476883 /nfs/dbraw/zinc/47/68/83/374476883.db2.gz JDESZQKJSVDOQP-GFCCVEGCSA-N 0 3 285.326 2.195 20 30 CEEDHN Cc1ccc(C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)cc1C#N ZINC000374204034 374510495 /nfs/dbraw/zinc/51/04/95/374510495.db2.gz GWSIBOGQKZPHPX-BBRMVZONSA-N 0 3 283.375 2.033 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000374396082 374563224 /nfs/dbraw/zinc/56/32/24/374563224.db2.gz WYFLEPJVLYYWPC-JYJNAYRXSA-N 0 3 294.439 2.158 20 30 CEEDHN C#CCN[C@@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374807798 374631515 /nfs/dbraw/zinc/63/15/15/374631515.db2.gz CRIDBOYIEYQXQF-HIFRSBDPSA-N 0 3 282.309 2.462 20 30 CEEDHN CC[C@@H](N[C@@H]1CCCCNC1=O)c1ccc(C#N)cc1 ZINC000278347281 374787643 /nfs/dbraw/zinc/78/76/43/374787643.db2.gz YNOKKIWVQNNYPZ-HUUCEWRRSA-N 0 3 271.364 2.268 20 30 CEEDHN C#CCCCN1CCC[C@H](Oc2ncccc2F)C1 ZINC000278348984 374789471 /nfs/dbraw/zinc/78/94/71/374789471.db2.gz CXCBQOKUBPJXDN-ZDUSSCGKSA-N 0 3 262.328 2.477 20 30 CEEDHN C=CCCCNC(=O)NCCN(C)Cc1ccccc1 ZINC000280231522 375137128 /nfs/dbraw/zinc/13/71/28/375137128.db2.gz XSNQKURUQRTOBY-UHFFFAOYSA-N 0 3 275.396 2.384 20 30 CEEDHN C=CCOc1ccc(CNCC2([S@@](C)=O)CC2)cc1 ZINC000380211588 375161941 /nfs/dbraw/zinc/16/19/41/375161941.db2.gz OTJBQWKTIKMVKQ-LJQANCHMSA-N 0 3 279.405 2.252 20 30 CEEDHN CC[C@H]1[C@@H](CO)CCN1Cc1cn2ccccc2c1C#N ZINC000385796493 375243922 /nfs/dbraw/zinc/24/39/22/375243922.db2.gz OHFHIILDLVQVFF-CJNGLKHVSA-N 0 3 283.375 2.404 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)c1cc(C#N)oc1C ZINC000280678361 375282598 /nfs/dbraw/zinc/28/25/98/375282598.db2.gz QJNYIWHKNMAFID-LBPRGKRZSA-N 0 3 275.352 2.064 20 30 CEEDHN C#CCCCN[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280722850 375296674 /nfs/dbraw/zinc/29/66/74/375296674.db2.gz FYPJCZWIPHHGGQ-ZBFHGGJFSA-N 0 3 293.432 2.472 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1cc(C#N)ncn1 ZINC000389937824 375309512 /nfs/dbraw/zinc/30/95/12/375309512.db2.gz NQWLFNBOIRUIKY-XJKSGUPXSA-N 0 3 293.374 2.281 20 30 CEEDHN C#C[C@@H](CC)NCC(C)(C)NC(=O)OC(C)(C)C ZINC000390768056 375312576 /nfs/dbraw/zinc/31/25/76/375312576.db2.gz JHXGAKYJYAALGC-NSHDSACASA-N 0 3 254.374 2.291 20 30 CEEDHN C=CCOc1cccc(CN2C[C@H](O)C(C)(C)C2)c1 ZINC000280599304 375257378 /nfs/dbraw/zinc/25/73/78/375257378.db2.gz YAUIAELZXNERGS-HNNXBMFYSA-N 0 3 261.365 2.454 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1nccnc1C ZINC000280933006 375346595 /nfs/dbraw/zinc/34/65/95/375346595.db2.gz VKGOOBVUEYSEPU-IPYPFGDCSA-N 0 3 261.369 2.417 20 30 CEEDHN C[C@H](NCC1([S@@](C)=O)CC1)c1ccc(C#N)c(F)c1 ZINC000282171011 375420888 /nfs/dbraw/zinc/42/08/88/375420888.db2.gz DZUPGIZTLPKOTN-APBUJDDRSA-N 0 3 280.368 2.259 20 30 CEEDHN CC[C@H](N[C@@H](C)C(=O)NCCF)c1ccc(C#N)cc1 ZINC000282664788 375544025 /nfs/dbraw/zinc/54/40/25/375544025.db2.gz ITAYROIYHJVDAF-FZMZJTMJSA-N 0 3 277.343 2.073 20 30 CEEDHN C[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1cccc(C#N)c1 ZINC000284168256 375821723 /nfs/dbraw/zinc/82/17/23/375821723.db2.gz QOBGVFAPRKNVQW-OCCSQVGLSA-N 0 3 292.404 2.034 20 30 CEEDHN CCCN(CCN1CCCC1)c1ccnc(C#N)c1 ZINC000286293667 375902737 /nfs/dbraw/zinc/90/27/37/375902737.db2.gz IZASSZLJSVXWTO-UHFFFAOYSA-N 0 3 258.369 2.265 20 30 CEEDHN C=CCCO[C@H](C)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000261640527 190042204 /nfs/dbraw/zinc/04/22/04/190042204.db2.gz CBNVZQUZLAEMCE-LLVKDONJSA-N 0 3 292.354 2.391 20 30 CEEDHN Cc1cc(C#N)nc(N(CCN(C)C)Cc2ccccc2)n1 ZINC000287977202 376354169 /nfs/dbraw/zinc/35/41/69/376354169.db2.gz URGNVVPIWHOHHV-UHFFFAOYSA-N 0 3 295.390 2.225 20 30 CEEDHN CC[C@@H](CN(C)CCOCc1ccc(C#N)cc1)OC ZINC000419288612 376429353 /nfs/dbraw/zinc/42/93/53/376429353.db2.gz XFNNAIXDECRXGF-INIZCTEOSA-N 0 3 276.380 2.432 20 30 CEEDHN C[C@@H]1[C@H](C)CN(CC(=O)NCc2cccc(C#N)c2)[C@H]1C ZINC000419370030 376445943 /nfs/dbraw/zinc/44/59/43/376445943.db2.gz IXLGDLBYGQUZBN-MCIONIFRSA-N 0 3 285.391 2.151 20 30 CEEDHN COCCCCN(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000419382193 376450249 /nfs/dbraw/zinc/45/02/49/376450249.db2.gz DJOXECQPSPKCLW-UHFFFAOYSA-N 0 3 295.427 2.030 20 30 CEEDHN CN(C)C[C@@H]1CCCN1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000263920626 190085139 /nfs/dbraw/zinc/08/51/39/190085139.db2.gz OORGABATROYRAI-SCOAYWHSSA-N 0 3 283.375 2.124 20 30 CEEDHN N#Cc1cc(NC[C@H](c2cccs2)N2CCCC2)ncn1 ZINC000558520715 376616517 /nfs/dbraw/zinc/61/65/17/376616517.db2.gz XLGILSUSJRRHFM-CYBMUJFWSA-N 0 3 299.403 2.081 20 30 CEEDHN C=C(C)CN1CCC(Nc2cncc(-n3cccn3)n2)CC1 ZINC000264507805 190114482 /nfs/dbraw/zinc/11/44/82/190114482.db2.gz SADAMLZHVIQTEG-UHFFFAOYSA-N 0 3 298.394 2.115 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)Nc1ccc(CC#N)cc1 ZINC000421058604 376792250 /nfs/dbraw/zinc/79/22/50/376792250.db2.gz IFUURGISLFAMAK-OAHLLOKOSA-N 0 3 286.379 2.311 20 30 CEEDHN O=C(Cn1ncc2ccccc21)N[C@@H]1CCN(C2CC2)C1 ZINC000328638786 376870021 /nfs/dbraw/zinc/87/00/21/376870021.db2.gz BSQODUORSKNRQC-CYBMUJFWSA-N 0 3 284.363 2.230 20 30 CEEDHN Cc1ccc(N(C)C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)nn1 ZINC000328718348 376885606 /nfs/dbraw/zinc/88/56/06/376885606.db2.gz FTZFMAYXYKEYDC-GOEBONIOSA-N 0 3 299.422 2.378 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H](C)CC(=O)N2)CCN1C ZINC000328831410 376906388 /nfs/dbraw/zinc/90/63/88/376906388.db2.gz KICKOAKABQDPTB-USZNOCQGSA-N 0 3 267.373 2.181 20 30 CEEDHN COc1cc(CN[C@H](C)c2cnccc2N)ccc1C#N ZINC000423120133 377014296 /nfs/dbraw/zinc/01/42/96/377014296.db2.gz FQUUGNYKKMLGRJ-LLVKDONJSA-N 0 3 282.347 2.225 20 30 CEEDHN C=CCOCCCC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000291015815 377033431 /nfs/dbraw/zinc/03/34/31/377033431.db2.gz DSWVETJISVBHBH-UHFFFAOYSA-N 0 3 290.363 2.090 20 30 CEEDHN C#CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000290969075 377007154 /nfs/dbraw/zinc/00/71/54/377007154.db2.gz IJZXXSOQSXMKLD-DOTOQJQBSA-N 0 3 299.418 2.172 20 30 CEEDHN N#Cc1cnn2cc(CN3CCC[C@@H]4CCC[C@@H]43)cnc12 ZINC000563154866 377108503 /nfs/dbraw/zinc/10/85/03/377108503.db2.gz YPWVYIXXDQWBTD-ZFWWWQNUSA-N 0 3 281.363 2.365 20 30 CEEDHN C#CCN(C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000291286118 377157688 /nfs/dbraw/zinc/15/76/88/377157688.db2.gz NZHWJMDHVZFAIC-QGZVFWFLSA-N 0 3 299.418 2.407 20 30 CEEDHN N#Cc1cc(F)ccc1CN[C@H]1CCC[C@@H]1CCO ZINC000330547878 377180059 /nfs/dbraw/zinc/18/00/59/377180059.db2.gz ATRYNZOELQXAMC-ABAIWWIYSA-N 0 3 262.328 2.338 20 30 CEEDHN CCN1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C#N ZINC000264821273 190136883 /nfs/dbraw/zinc/13/68/83/190136883.db2.gz XTLMVXNNSBBYPF-GFCCVEGCSA-N 0 3 289.339 2.148 20 30 CEEDHN CN1C[C@@H]2CCCN(C(=O)[C@]3(C#N)CC34CCCC4)[C@@H]2C1 ZINC000425067109 377329077 /nfs/dbraw/zinc/32/90/77/377329077.db2.gz QRPPFVZMFCDPCS-JJRVBVJISA-N 0 3 287.407 2.013 20 30 CEEDHN CC(C)N1CC[C@H](Nc2ncc3c(c2C#N)CCC3)C1 ZINC000563805935 377295413 /nfs/dbraw/zinc/29/54/13/377295413.db2.gz OKWYNADLECNLKW-ZDUSSCGKSA-N 0 3 270.380 2.337 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(Oc2ncccc2C)CC1 ZINC000685578826 542161468 /nfs/dbraw/zinc/16/14/68/542161468.db2.gz GPTQHMGAGZNWTB-OAHLLOKOSA-N 0 3 276.380 2.170 20 30 CEEDHN C[C@@H]1CCN(CC(=O)NCc2cccc(C#N)c2)[C@H](C)C1 ZINC000425525581 377363815 /nfs/dbraw/zinc/36/38/15/377363815.db2.gz UQWPMBHCBOEHIY-ZIAGYGMSSA-N 0 3 285.391 2.295 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)CCN1CCO[C@@H](C)C1 ZINC000425529883 377364742 /nfs/dbraw/zinc/36/47/42/377364742.db2.gz CWSMJPJPTJPLHJ-LSDHHAIUSA-N 0 3 287.407 2.272 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)CCN1CCOC[C@H]1C ZINC000425529162 377365231 /nfs/dbraw/zinc/36/52/31/377365231.db2.gz ASWUTIQGIOGXKQ-HUUCEWRRSA-N 0 3 287.407 2.272 20 30 CEEDHN COc1cc(CN2CCC[C@@H]2C(C)(C)O)ccc1C#N ZINC000331280664 377357749 /nfs/dbraw/zinc/35/77/49/377357749.db2.gz QKIADJJSUCNTEB-OAHLLOKOSA-N 0 3 274.364 2.302 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(Oc2ncccc2C)CC1 ZINC000685578825 542162045 /nfs/dbraw/zinc/16/20/45/542162045.db2.gz GPTQHMGAGZNWTB-HNNXBMFYSA-N 0 3 276.380 2.170 20 30 CEEDHN COC(=O)[C@]1(c2ccccc2)CCN(CCCC#N)C1 ZINC000428788120 377501388 /nfs/dbraw/zinc/50/13/88/377501388.db2.gz WBGDOTHGUMIHLG-MRXNPFEDSA-N 0 3 272.348 2.107 20 30 CEEDHN CC(C)(CCC#N)CN1CCC(O)(C(F)F)CC1 ZINC000428461465 377493535 /nfs/dbraw/zinc/49/35/35/377493535.db2.gz OWBRKLVVARSOLS-UHFFFAOYSA-N 0 3 260.328 2.408 20 30 CEEDHN C=CCN(CCc1ccccc1)CCN1CCCOCC1 ZINC000429690919 377519706 /nfs/dbraw/zinc/51/97/06/377519706.db2.gz ANECYFXMTFKSEC-UHFFFAOYSA-N 0 3 288.435 2.439 20 30 CEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccccc1C ZINC000429708494 377519794 /nfs/dbraw/zinc/51/97/94/377519794.db2.gz KIPXAVXNIRLLTE-UHFFFAOYSA-N 0 3 289.423 2.373 20 30 CEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccc(C)cc1 ZINC000429712733 377520211 /nfs/dbraw/zinc/52/02/11/377520211.db2.gz BXLGWXUGAPLPOI-UHFFFAOYSA-N 0 3 289.423 2.373 20 30 CEEDHN C[C@@H](CCC#N)N1CCC[C@H](N2CCCC2=O)CC1 ZINC000565049745 377544098 /nfs/dbraw/zinc/54/40/98/377544098.db2.gz SFXVPQXDHXZVIM-KBPBESRZSA-N 0 3 263.385 2.156 20 30 CEEDHN C=CCCN1CCN(CCOc2ccccc2)CC1 ZINC000265814372 190209630 /nfs/dbraw/zinc/20/96/30/190209630.db2.gz MQXIFUVVMBAKQV-UHFFFAOYSA-N 0 3 260.381 2.259 20 30 CEEDHN Cc1nc([C@H]2CCN(Cc3ccc(C#N)s3)C2)n[nH]1 ZINC000565723838 377691147 /nfs/dbraw/zinc/69/11/47/377691147.db2.gz IGRRHMPEEWBOCF-JTQLQIEISA-N 0 3 273.365 2.036 20 30 CEEDHN Cc1n[nH]c([C@H]2CCN(Cc3ccc(C#N)s3)C2)n1 ZINC000565723838 377691156 /nfs/dbraw/zinc/69/11/56/377691156.db2.gz IGRRHMPEEWBOCF-JTQLQIEISA-N 0 3 273.365 2.036 20 30 CEEDHN Cc1nnc([C@H]2CCN(Cc3ccc(C#N)s3)C2)[nH]1 ZINC000565723838 377691163 /nfs/dbraw/zinc/69/11/63/377691163.db2.gz IGRRHMPEEWBOCF-JTQLQIEISA-N 0 3 273.365 2.036 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCc1cccnc1 ZINC000433128399 377779486 /nfs/dbraw/zinc/77/94/86/377779486.db2.gz LNRKDLMFENUYCP-INIZCTEOSA-N 0 3 279.343 2.470 20 30 CEEDHN N#C[C@@H](CCc1ccccc1)C(=O)NCCN1CCCCC1 ZINC000433235626 377781480 /nfs/dbraw/zinc/78/14/80/377781480.db2.gz WTICGVVOLDLRFX-QGZVFWFLSA-N 0 3 299.418 2.361 20 30 CEEDHN CC(C)(C#N)CCN(CCO)[C@H]1CCCSC1 ZINC000433186135 377781809 /nfs/dbraw/zinc/78/18/09/377781809.db2.gz HQFXMHLPROYPAA-LBPRGKRZSA-N 0 3 256.415 2.116 20 30 CEEDHN Cn1cc(CN2CC3(CCOCC3)[C@@H]2C2CC2)cc1C#N ZINC000293775931 377752671 /nfs/dbraw/zinc/75/26/71/377752671.db2.gz YXUKUDAMDOAXKF-INIZCTEOSA-N 0 3 285.391 2.288 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)c1ccccc1CN(C)C ZINC000433298040 377784447 /nfs/dbraw/zinc/78/44/47/377784447.db2.gz NJUWKHZXUDQSIM-CYBMUJFWSA-N 0 3 273.380 2.370 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)c1ccn(C)n1 ZINC000436308330 377821990 /nfs/dbraw/zinc/82/19/90/377821990.db2.gz MLQRQALNZADQOK-GUTXKFCHSA-N 0 3 263.385 2.442 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCCn1cccc1 ZINC000433380946 377792260 /nfs/dbraw/zinc/79/22/60/377792260.db2.gz GOHPTVVVXNBDMP-MRXNPFEDSA-N 0 3 281.359 2.377 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000434439362 377797095 /nfs/dbraw/zinc/79/70/95/377797095.db2.gz PIZUBIWVSOWRBV-MCIONIFRSA-N 0 3 277.412 2.400 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1sccc1Cl ZINC000294038504 377880908 /nfs/dbraw/zinc/88/09/08/377880908.db2.gz SFXMUMFTYUKEON-UHFFFAOYSA-N 0 3 270.785 2.086 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CC)N(CC)CC ZINC000437520015 377848044 /nfs/dbraw/zinc/84/80/44/377848044.db2.gz BABHNOPPKHHQJI-ZNMIVQPWSA-N 0 3 282.428 2.204 20 30 CEEDHN C[C@H](N(C)CC(=O)NCc1ccc(C#N)cc1)C1(C)CC1 ZINC000437527943 377849355 /nfs/dbraw/zinc/84/93/55/377849355.db2.gz MZDZLIPSJCVDSF-ZDUSSCGKSA-N 0 3 285.391 2.295 20 30 CEEDHN C=CCOCCN(Cc1ccccc1)CC(C)(C)O ZINC000294708264 378014294 /nfs/dbraw/zinc/01/42/94/378014294.db2.gz UZHGETGWFROPLC-UHFFFAOYSA-N 0 3 263.381 2.462 20 30 CEEDHN CC(=O)NCCCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000442675248 377979690 /nfs/dbraw/zinc/97/96/90/377979690.db2.gz GAGHKURPQAKAOY-LBPRGKRZSA-N 0 3 259.353 2.077 20 30 CEEDHN CS(=O)(=O)Cc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442793314 377995964 /nfs/dbraw/zinc/99/59/64/377995964.db2.gz OGCIPZJOOIXJRO-SWLSCSKDSA-N 0 3 292.404 2.013 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(-n3cncn3)c2)C1 ZINC000442800174 377998681 /nfs/dbraw/zinc/99/86/81/377998681.db2.gz YZSOYJLHEBUZJN-TZMCWYRMSA-N 0 3 267.336 2.049 20 30 CEEDHN Cn1cc(CN[C@@H]2CC[C@@H](C#N)C2)c(C(F)(F)F)n1 ZINC000442821573 378004628 /nfs/dbraw/zinc/00/46/28/378004628.db2.gz BPZKBUANZJPLGT-PSASIEDQSA-N 0 3 272.274 2.221 20 30 CEEDHN C=CC[C@H]1N(CC(=O)NCCOCC)CCCC1(C)C ZINC000444785637 378079612 /nfs/dbraw/zinc/07/96/12/378079612.db2.gz YVWMQVRTOLOZGA-CQSZACIVSA-N 0 3 282.428 2.206 20 30 CEEDHN NC(=O)[C@H]1CCCC[C@H]1NCC#Cc1ccccc1Cl ZINC000445780333 378083259 /nfs/dbraw/zinc/08/32/59/378083259.db2.gz HHPWTLDDTVEFTR-DZGCQCFKSA-N 0 3 290.794 2.325 20 30 CEEDHN CN(CC#Cc1ccc(F)cc1)[C@H]1CCN(C2CC2)C1 ZINC000447044183 378088055 /nfs/dbraw/zinc/08/80/55/378088055.db2.gz IWHNMMCJUSWJPE-KRWDZBQOSA-N 0 3 272.367 2.346 20 30 CEEDHN N#CCC[C@@H](C#N)CN[C@H](CCO)C1CCCCC1 ZINC000574691641 335040171 /nfs/dbraw/zinc/04/01/71/335040171.db2.gz KIAFIAAZHVZEDI-DZGCQCFKSA-N 0 3 263.385 2.351 20 30 CEEDHN CCCCN1CCCC[C@@H]1CNC(=O)[C@]1(C#N)C[C@@H]1C ZINC000448842618 378189421 /nfs/dbraw/zinc/18/94/21/378189421.db2.gz DVCBPXPOGFGBKQ-LZWOXQAQSA-N 0 3 277.412 2.307 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN[C@H](CO)[C@H]1CCCO1 ZINC000447908729 378156558 /nfs/dbraw/zinc/15/65/58/378156558.db2.gz VIYHMOSOYINVDS-HZPDHXFCSA-N 0 3 288.391 2.117 20 30 CEEDHN C=CCC[C@H](CO)NCc1c[nH]c(-c2ccccc2)n1 ZINC000449700624 378221934 /nfs/dbraw/zinc/22/19/34/378221934.db2.gz UQUKCGMGDJZVOM-CQSZACIVSA-N 0 3 271.364 2.493 20 30 CEEDHN C=CCC[C@H](CO)NCc1cnc(-c2ccccc2)[nH]1 ZINC000449700624 378221939 /nfs/dbraw/zinc/22/19/39/378221939.db2.gz UQUKCGMGDJZVOM-CQSZACIVSA-N 0 3 271.364 2.493 20 30 CEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@]2(C#N)C[C@H]2C)C1 ZINC000448772441 378184305 /nfs/dbraw/zinc/18/43/05/378184305.db2.gz DPHNEDDGOXBETN-DEICHXMPSA-N 0 3 297.402 2.488 20 30 CEEDHN C[C@H]1[C@H](Nc2nccc(C#N)n2)CCN1Cc1ccccc1 ZINC000295747009 378287082 /nfs/dbraw/zinc/28/70/82/378287082.db2.gz ZDYBSKTZZVTRQR-XJKSGUPXSA-N 0 3 293.374 2.423 20 30 CEEDHN C=C[C@H](C)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000450095395 378290825 /nfs/dbraw/zinc/29/08/25/378290825.db2.gz AGKFKVBUTLGNRH-JSGCOSHPSA-N 0 3 250.386 2.474 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000450383026 378385369 /nfs/dbraw/zinc/38/53/69/378385369.db2.gz YRVKMNBNCDRJBR-IINYFYTJSA-N 0 3 286.335 2.361 20 30 CEEDHN CC#CCCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000450477817 378439522 /nfs/dbraw/zinc/43/95/22/378439522.db2.gz YFQGOUOLCYABIZ-OAHLLOKOSA-N 0 3 262.397 2.313 20 30 CEEDHN C[C@@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C ZINC000298404187 378717794 /nfs/dbraw/zinc/71/77/94/378717794.db2.gz RWXWPUPYXCXHFS-VIFPVBQESA-N 0 3 280.759 2.283 20 30 CEEDHN C[C@@](O)(CNCc1cccc(C#N)c1)c1ccco1 ZINC000266187430 190238942 /nfs/dbraw/zinc/23/89/42/190238942.db2.gz XENYPLQZCNJHJK-OAHLLOKOSA-N 0 3 256.305 2.149 20 30 CEEDHN COc1ccc(CNC[C@@H](O)Cc2ccccc2)cc1C#N ZINC000266221507 190241033 /nfs/dbraw/zinc/24/10/33/190241033.db2.gz RLPHFEMLBXHRKG-KRWDZBQOSA-N 0 3 296.370 2.260 20 30 CEEDHN C[C@H](NC[C@]1(C)CCC(=O)N1)c1ccc(C#N)cc1F ZINC000453436643 378903951 /nfs/dbraw/zinc/90/39/51/378903951.db2.gz URZHEXFOQKJIBP-BONVTDFDSA-N 0 3 275.327 2.017 20 30 CEEDHN N#Cc1ccc(CNCC[C@H](O)c2ccccc2)o1 ZINC000289467567 197361946 /nfs/dbraw/zinc/36/19/46/197361946.db2.gz PAXWXVNLHGHGNS-HNNXBMFYSA-N 0 3 256.305 2.365 20 30 CEEDHN C[C@@H]1C[C@H](N[C@H]2CC[C@@H](C#N)C2)C(=O)N1c1ccccc1 ZINC000514677642 379136729 /nfs/dbraw/zinc/13/67/29/379136729.db2.gz XRMVHFHIQVJKGN-NYTXWWLZSA-N 0 3 283.375 2.462 20 30 CEEDHN COc1cc(CN[C@H]2C[C@H](OC)C2(C)C)ccc1C#N ZINC000300656817 379179533 /nfs/dbraw/zinc/17/95/33/379179533.db2.gz VAYJKCCXOMGJQK-GJZGRUSLSA-N 0 3 274.364 2.470 20 30 CEEDHN CC[C@H](NCC(=O)NCC1CC1)c1ccc(C#N)cc1 ZINC000278808103 194163556 /nfs/dbraw/zinc/16/35/56/194163556.db2.gz RVAFAWQQBHHERY-HNNXBMFYSA-N 0 3 271.364 2.125 20 30 CEEDHN C=CCCCCN1CCN(c2cc(C#N)ccn2)CC1 ZINC000521784290 379544531 /nfs/dbraw/zinc/54/45/31/379544531.db2.gz PHQULDQWXWUCHY-UHFFFAOYSA-N 0 3 270.380 2.432 20 30 CEEDHN C[C@]1(CO)CCC[C@H]1NCc1cc(C#N)cs1 ZINC000304612016 379586037 /nfs/dbraw/zinc/58/60/37/379586037.db2.gz FLEFJMHJQDMMIL-CHWSQXEVSA-N 0 3 250.367 2.260 20 30 CEEDHN COC(=O)CC1(NCc2ccc(C#N)s2)CCC1 ZINC000347665296 218313048 /nfs/dbraw/zinc/31/30/48/218313048.db2.gz QXOFCJFEWFDIGJ-UHFFFAOYSA-N 0 3 264.350 2.195 20 30 CEEDHN C#CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000267339303 190322460 /nfs/dbraw/zinc/32/24/60/190322460.db2.gz GMYSHTWILHMOTR-WBVHZDCISA-N 0 3 299.418 2.220 20 30 CEEDHN N#Cc1cccc(CNCCNc2ccccn2)c1 ZINC000347835509 218371476 /nfs/dbraw/zinc/37/14/76/218371476.db2.gz SABBZVCYRQQMEG-UHFFFAOYSA-N 0 3 252.321 2.155 20 30 CEEDHN CC#CCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000483424801 380081273 /nfs/dbraw/zinc/08/12/73/380081273.db2.gz GDBAYZGUAVHFPD-UHFFFAOYSA-N 0 3 277.412 2.060 20 30 CEEDHN C#CCOc1ccccc1CN[C@H]1CN(C2CC2)C[C@H]1C ZINC000268111974 190377980 /nfs/dbraw/zinc/37/79/80/190377980.db2.gz IUESYVXAVDHMTH-PBHICJAKSA-N 0 3 284.403 2.271 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1cccc(C#N)c1 ZINC000268129894 190379544 /nfs/dbraw/zinc/37/95/44/190379544.db2.gz PFPKWJSHOKOGDR-IAQYHMDHSA-N 0 3 284.363 2.162 20 30 CEEDHN CN(C)Cc1cccc(C(=O)Nc2cc(CC#N)ccn2)c1 ZINC000532181089 380210704 /nfs/dbraw/zinc/21/07/04/380210704.db2.gz NRIXIDCLWLOSKS-UHFFFAOYSA-N 0 3 294.358 2.462 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N1CCCC[C@@H]1CN(C)C)OCC ZINC000533706411 380217667 /nfs/dbraw/zinc/21/76/67/380217667.db2.gz TYOVTTBNPPXQQJ-HUUCEWRRSA-N 0 3 282.428 2.300 20 30 CEEDHN C#CCN[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000491327458 380305553 /nfs/dbraw/zinc/30/55/53/380305553.db2.gz VNDCMIAGPJOATP-UONOGXRCSA-N 0 3 282.309 2.240 20 30 CEEDHN CC#CC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000279112837 194289855 /nfs/dbraw/zinc/28/98/55/194289855.db2.gz CEAPCPYOMZWCEO-UHFFFAOYSA-N 0 3 288.416 2.240 20 30 CEEDHN C[C@@H]1CN(C(=O)C2(C#N)CCCC2)CCN(C2CC2)C1 ZINC000334545129 380567496 /nfs/dbraw/zinc/56/74/96/380567496.db2.gz YYLMWWHTWBJBDN-ZDUSSCGKSA-N 0 3 275.396 2.013 20 30 CEEDHN CC(C)C[C@]1(CO)CCCN1Cc1ccc(C#N)cn1 ZINC000551059340 380636392 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C=CCc1cc(CN(C)CC2CC(O)C2)cc(OC)c1O ZINC000191168651 542339563 /nfs/dbraw/zinc/33/95/63/542339563.db2.gz MAASGDDKJQAJMI-UHFFFAOYSA-N 0 3 291.391 2.332 20 30 CEEDHN C[C@H](NCCN1CC=CCC1)c1cccc(C#N)c1 ZINC000280908798 195025461 /nfs/dbraw/zinc/02/54/61/195025461.db2.gz GJAFBHZVXUELIO-AWEZNQCLSA-N 0 3 255.365 2.471 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc(C#N)s1 ZINC000335299843 208137679 /nfs/dbraw/zinc/13/76/79/208137679.db2.gz CFMBHCNRHPIELU-NSHDSACASA-N 0 3 277.393 2.034 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc(C#N)s1 ZINC000335299842 208138906 /nfs/dbraw/zinc/13/89/06/208138906.db2.gz CFMBHCNRHPIELU-LLVKDONJSA-N 0 3 277.393 2.034 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H](C(=O)N3CCCC3)C2)s1 ZINC000335324554 208191656 /nfs/dbraw/zinc/19/16/56/208191656.db2.gz YOWRUSJICMJDJW-GFCCVEGCSA-N 0 3 289.404 2.064 20 30 CEEDHN COCCOCCN(C)[C@@H](C)c1ccc(C#N)cc1 ZINC000267456303 285091890 /nfs/dbraw/zinc/09/18/90/285091890.db2.gz PBIJHDRLSMVVHN-ZDUSSCGKSA-N 0 3 262.353 2.214 20 30 CEEDHN CC(C#N)C(=O)N(C)CCCc1nc2ccccc2[nH]1 ZINC000347037775 533107899 /nfs/dbraw/zinc/10/78/99/533107899.db2.gz OECQJOGBVAKHMO-NSHDSACASA-N 0 3 270.336 2.114 20 30 CEEDHN CC(C#N)C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000347137647 533114015 /nfs/dbraw/zinc/11/40/15/533114015.db2.gz PQQUPPSVOZKUMP-VIFPVBQESA-N 0 3 265.382 2.259 20 30 CEEDHN CCC[C@@]1(CO)CCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000288648105 197136439 /nfs/dbraw/zinc/13/64/39/197136439.db2.gz AZEAANNQQFKBLH-DLBZAZTESA-N 0 3 288.391 2.076 20 30 CEEDHN C=CCN(CCOC)CC(C)(C)NC(=O)OC(C)(C)C ZINC000497123592 260010114 /nfs/dbraw/zinc/01/01/14/260010114.db2.gz DCMFFYKQWVGVPX-UHFFFAOYSA-N 0 3 286.416 2.424 20 30 CEEDHN COC[C@@H](NCc1ccc(C#N)c(OC)c1)C1CC1 ZINC000281578039 195295663 /nfs/dbraw/zinc/29/56/63/195295663.db2.gz DAORHDJDEMBCNK-CQSZACIVSA-N 0 3 260.337 2.081 20 30 CEEDHN CCOC(CCNCc1ccc(C#N)c(OC)c1)OCC ZINC000281681574 195334444 /nfs/dbraw/zinc/33/44/44/195334444.db2.gz MHQTUJYNXZUMJG-UHFFFAOYSA-N 0 3 292.379 2.446 20 30 CEEDHN C[C@@H]1CN(C)[C@@H](C)CN1CCCC1(C#N)CCOCC1 ZINC000337197113 262431803 /nfs/dbraw/zinc/43/18/03/262431803.db2.gz YDGVCZTULGNTQG-LSDHHAIUSA-N 0 3 279.428 2.111 20 30 CEEDHN C[C@H]1CSCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000226394429 394470747 /nfs/dbraw/zinc/47/07/47/394470747.db2.gz XYJCKULYCXAVRH-SMDDNHRTSA-N 0 3 262.378 2.029 20 30 CEEDHN C[C@@H]1CCCN(CCNc2ncc(C#N)cc2F)C1 ZINC000413062147 394477320 /nfs/dbraw/zinc/47/73/20/394477320.db2.gz QRWVEMWFBSUCAB-LLVKDONJSA-N 0 3 262.332 2.236 20 30 CEEDHN Cc1cc(NCCN(C)C2CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413064703 394477401 /nfs/dbraw/zinc/47/74/01/394477401.db2.gz BIBIFNMUJBKMOU-UHFFFAOYSA-N 0 3 274.324 2.281 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)CNC[C@@H]1CCCO1 ZINC000236658699 394486418 /nfs/dbraw/zinc/48/64/18/394486418.db2.gz HIZONCAQBBNEIS-ZDUSSCGKSA-N 0 3 294.420 2.031 20 30 CEEDHN CC(C)N1CCCN(c2ncc(C#N)cc2F)CC1 ZINC000413120154 394486471 /nfs/dbraw/zinc/48/64/71/394486471.db2.gz PVSITWQUOJFZEH-UHFFFAOYSA-N 0 3 262.332 2.013 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000355646354 394487057 /nfs/dbraw/zinc/48/70/57/394487057.db2.gz WBYFSMRKZCVXPN-GBJTYRQASA-N 0 3 294.439 2.203 20 30 CEEDHN C=CCN1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413127629 394488277 /nfs/dbraw/zinc/48/82/77/394488277.db2.gz MRNCYWNIDXWPDS-UHFFFAOYSA-N 0 3 280.303 2.191 20 30 CEEDHN CC(C#N)C(=O)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000355670803 394495992 /nfs/dbraw/zinc/49/59/92/394495992.db2.gz GLWKUQVLEGACHY-DZGCQCFKSA-N 0 3 272.348 2.006 20 30 CEEDHN CN1CC[C@@H]2[C@H](CCCN2c2ncc(C#N)cc2F)C1 ZINC000413192373 394501376 /nfs/dbraw/zinc/50/13/76/394501376.db2.gz IOZWBILIBWHMGY-TZMCWYRMSA-N 0 3 274.343 2.013 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)C1(C#N)CCCCC1 ZINC000044385482 394505966 /nfs/dbraw/zinc/50/59/66/394505966.db2.gz MWDYTXKUZNDJNC-ZDUSSCGKSA-N 0 3 263.385 2.061 20 30 CEEDHN N#CCCCCN1CCC(O)(C(F)(F)F)CC1 ZINC000305688301 394509122 /nfs/dbraw/zinc/50/91/22/394509122.db2.gz QPKQPMIYINCIBV-UHFFFAOYSA-N 0 3 250.264 2.069 20 30 CEEDHN C[C@@H](NC(=O)NCCOC1CCCC1)C1=CCN(C)CC1 ZINC000329505580 394567980 /nfs/dbraw/zinc/56/79/80/394567980.db2.gz LIONSDDYJCBSBZ-CYBMUJFWSA-N 0 3 295.427 2.100 20 30 CEEDHN COc1ccc(CC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)nc1 ZINC000329521445 394569492 /nfs/dbraw/zinc/56/94/92/394569492.db2.gz FSRGQKHKCYUNRY-WCQYABFASA-N 0 3 289.379 2.214 20 30 CEEDHN O=C(NC1CCN(C2CC2)CC1)c1snnc1C1CC1 ZINC000329771057 394584504 /nfs/dbraw/zinc/58/45/04/394584504.db2.gz GOBVGTVPZGETIR-UHFFFAOYSA-N 0 3 292.408 2.347 20 30 CEEDHN CCC1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000048907994 394536702 /nfs/dbraw/zinc/53/67/02/394536702.db2.gz CPYAKCKDAZQACF-MRXNPFEDSA-N 0 3 288.391 2.420 20 30 CEEDHN C[C@H](C(=O)NC[C@](C)(O)C1CC1)N1CCCCCC1 ZINC000329939426 394595885 /nfs/dbraw/zinc/59/58/85/394595885.db2.gz FRODWLLCCLWJHS-DOMZBBRYSA-N 0 3 268.401 2.368 20 30 CEEDHN COc1cc(CNCCCC#N)cc(OC)c1OC ZINC000258998671 394599906 /nfs/dbraw/zinc/59/99/06/394599906.db2.gz YRDWASRAXNPLPD-UHFFFAOYSA-N 0 3 264.325 2.106 20 30 CEEDHN N#CC1(CCCN2CCC[C@@H]2C(N)=O)CCOCC1 ZINC000330378875 394602372 /nfs/dbraw/zinc/60/23/72/394602372.db2.gz GKFUXWBVCIBCIW-GFCCVEGCSA-N 0 3 265.357 2.087 20 30 CEEDHN CC[C@@H]1CC[C@H](C)N1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330640247 394623580 /nfs/dbraw/zinc/62/35/80/394623580.db2.gz CIYLJJIHXVPDRF-GZBFAFLISA-N 0 3 265.401 2.304 20 30 CEEDHN C[C@@H](CN[C@@H]1CCC[C@@H]1C#N)CN[C@H]1CCC[C@@H]1C#N ZINC000332329112 394636800 /nfs/dbraw/zinc/63/68/00/394636800.db2.gz PIWUXQJSZKXSOI-DGXTUMSLSA-N 0 3 274.412 2.186 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(C)CCCSC)CC1 ZINC000358986915 394736567 /nfs/dbraw/zinc/73/65/67/394736567.db2.gz VQQOAJXMSVVOIO-UHFFFAOYSA-N 0 3 299.484 2.421 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000335149452 394743960 /nfs/dbraw/zinc/74/39/60/394743960.db2.gz QTNYTBRCVYPWCW-AAEUAGOBSA-N 0 3 275.327 2.070 20 30 CEEDHN CCOC[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000267041363 394672249 /nfs/dbraw/zinc/67/22/49/394672249.db2.gz DGFPRPJCCRALSU-OAHLLOKOSA-N 0 3 274.364 2.447 20 30 CEEDHN C=C1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000334493569 394691037 /nfs/dbraw/zinc/69/10/37/394691037.db2.gz IGDMBGBWEFICDL-UHFFFAOYSA-N 0 3 292.423 2.200 20 30 CEEDHN N#CCCn1cc(CN2CC[C@H](O)C2)c(-c2ccccc2)n1 ZINC000271071058 394746382 /nfs/dbraw/zinc/74/63/82/394746382.db2.gz FFEQAKBYOVJKCE-INIZCTEOSA-N 0 3 296.374 2.030 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000359533099 394760637 /nfs/dbraw/zinc/76/06/37/394760637.db2.gz WQGJRJYIVVMBRZ-OSMZGAPFSA-N 0 3 292.766 2.034 20 30 CEEDHN CN(CCC#N)C(=O)CCNC1(c2ccccc2)CC1 ZINC000271773675 394764114 /nfs/dbraw/zinc/76/41/14/394764114.db2.gz DMLBQVKZOLDGFA-UHFFFAOYSA-N 0 3 271.364 2.027 20 30 CEEDHN CN(C[C@H](O)c1ccc(C#N)cc1)C[C@H]1CCCC[C@@H]1O ZINC000272462001 394773554 /nfs/dbraw/zinc/77/35/54/394773554.db2.gz DPDXRMCVFUCTKT-IKGGRYGDSA-N 0 3 288.391 2.075 20 30 CEEDHN C[C@H](N[C@H]1CNCCC1(F)F)c1ccc(C#N)cc1 ZINC000335568934 394776031 /nfs/dbraw/zinc/77/60/31/394776031.db2.gz OWHBCOZIZOXAHP-GWCFXTLKSA-N 0 3 265.307 2.206 20 30 CEEDHN C=CCC1(C(=O)N[C@@H](C)C2=CCN(C)CC2)CCC1 ZINC000359886732 394779143 /nfs/dbraw/zinc/77/91/43/394779143.db2.gz MYICANFYKPBTSI-ZDUSSCGKSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2CCCN(C)[C@H]2C)CCC1 ZINC000359889044 394779148 /nfs/dbraw/zinc/77/91/48/394779148.db2.gz WWUKPPBZZRGPAE-STQMWFEESA-N 0 3 250.386 2.332 20 30 CEEDHN CN(C)C1CN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000273372957 394787443 /nfs/dbraw/zinc/78/74/43/394787443.db2.gz XTSJCYYVCJWOCU-UHFFFAOYSA-N 0 3 269.270 2.327 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000335738695 394795273 /nfs/dbraw/zinc/79/52/73/394795273.db2.gz VZQOFVYIPTXGLR-NEPJUHHUSA-N 0 3 250.342 2.144 20 30 CEEDHN C=C(C)CN(C)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000360755077 394806311 /nfs/dbraw/zinc/80/63/11/394806311.db2.gz KYATUMWKUZLPIV-UHFFFAOYSA-N 0 3 290.411 2.017 20 30 CEEDHN N#CCCCCN1CCC(c2nnc3n2CCCC3)CC1 ZINC000360773934 394807435 /nfs/dbraw/zinc/80/74/35/394807435.db2.gz VGSFUDMSJDKJLI-UHFFFAOYSA-N 0 3 287.411 2.488 20 30 CEEDHN C=CC[C@H](CO)CNCc1cc(C(=O)OC)ccc1Cl ZINC000360994684 394811197 /nfs/dbraw/zinc/81/11/97/394811197.db2.gz FKCZYRCRORAQDM-NSHDSACASA-N 0 3 297.782 2.401 20 30 CEEDHN N#C[C@@H]1CC[C@@H](Nc2cccc(CN3CC[C@@H](O)C3)c2)C1 ZINC000361081611 394814990 /nfs/dbraw/zinc/81/49/90/394814990.db2.gz MWGWLXCCBOHKGO-KBRIMQKVSA-N 0 3 285.391 2.357 20 30 CEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(C#N)s1 ZINC000362921676 394870509 /nfs/dbraw/zinc/87/05/09/394870509.db2.gz HWJRNOLDQTYNTN-RYUDHWBXSA-N 0 3 291.420 2.470 20 30 CEEDHN CN1CC[C@@H]2CN(c3cccc(Cl)c3C#N)C[C@@H]21 ZINC000336272934 394838780 /nfs/dbraw/zinc/83/87/80/394838780.db2.gz LFYZHBMPXUJPGF-YGRLFVJLSA-N 0 3 261.756 2.352 20 30 CEEDHN C=C[C@H](C)NC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000362381568 394859137 /nfs/dbraw/zinc/85/91/37/394859137.db2.gz ZIBRDWWXYDGQSL-AVGNSLFASA-N 0 3 253.390 2.123 20 30 CEEDHN C=CCN1CCC(N[C@H](C)c2cc(C)n(C)n2)CC1 ZINC000282221340 394913960 /nfs/dbraw/zinc/91/39/60/394913960.db2.gz OXKYDFUMTORCRA-CYBMUJFWSA-N 0 3 262.401 2.030 20 30 CEEDHN C=CCCc1ccccc1NC(=O)NCCNCCOC ZINC000415679252 394954781 /nfs/dbraw/zinc/95/47/81/394954781.db2.gz XYDXQIYOMLGZOI-UHFFFAOYSA-N 0 3 291.395 2.163 20 30 CEEDHN C[C@@H](C#N)CN(C(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC000338374874 394917427 /nfs/dbraw/zinc/91/74/27/394917427.db2.gz RAWAXKWOEONVPX-KBPBESRZSA-N 0 3 277.412 2.402 20 30 CEEDHN C=CCNC(=O)CN[C@@H](CCCOC)c1ccc(F)cc1 ZINC000282371602 394918275 /nfs/dbraw/zinc/91/82/75/394918275.db2.gz QHTPDBGMZIDXDS-HNNXBMFYSA-N 0 3 294.370 2.185 20 30 CEEDHN C=CCOCCN1CCN(CC2CCCCC2)CC1 ZINC000338933787 394933547 /nfs/dbraw/zinc/93/35/47/394933547.db2.gz NNNCBOCHAQYUMO-UHFFFAOYSA-N 0 3 266.429 2.387 20 30 CEEDHN COCCCOC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000339005558 394936055 /nfs/dbraw/zinc/93/60/55/394936055.db2.gz UWXCOQGBEFXRQF-UONOGXRCSA-N 0 3 266.385 2.196 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N(CCN(C)C)CC(C)C)OCC ZINC000339344684 394956410 /nfs/dbraw/zinc/95/64/10/394956410.db2.gz RZFZUZBIVBOFPG-OAHLLOKOSA-N 0 3 284.444 2.404 20 30 CEEDHN C=CCCCCNCc1cnc(-c2cnn(C)c2)nc1 ZINC000366353431 394943687 /nfs/dbraw/zinc/94/36/87/394943687.db2.gz ZVWGALZGAAAHCJ-UHFFFAOYSA-N 0 3 271.368 2.323 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)C1 ZINC000339192024 394950293 /nfs/dbraw/zinc/95/02/93/394950293.db2.gz IAYQNSRDRBZECM-WYUUTHIRSA-N 0 3 276.302 2.171 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(F)c(C#N)c1 ZINC000285914098 394983820 /nfs/dbraw/zinc/98/38/20/394983820.db2.gz KYNYNYZEWOHEAM-CQSZACIVSA-N 0 3 289.354 2.302 20 30 CEEDHN CC#CCCN1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000155327498 395027372 /nfs/dbraw/zinc/02/73/72/395027372.db2.gz MLVUOVUXBJHNOI-CQSZACIVSA-N 0 3 264.413 2.273 20 30 CEEDHN CN1CCC(Nc2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000286075965 395009109 /nfs/dbraw/zinc/00/91/09/395009109.db2.gz JKNDRAJXEQHTKP-UHFFFAOYSA-N 0 3 289.770 2.365 20 30 CEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ncccc1C#N ZINC000286250295 395018374 /nfs/dbraw/zinc/01/83/74/395018374.db2.gz FYUJLTGEUMDADF-GXTWGEPZSA-N 0 3 256.353 2.016 20 30 CEEDHN C=CCOc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000153946817 395020595 /nfs/dbraw/zinc/02/05/95/395020595.db2.gz MKBGKBQCOFWGCV-HNNXBMFYSA-N 0 3 288.391 2.418 20 30 CEEDHN C=CCCOCCCCC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000342866976 395025233 /nfs/dbraw/zinc/02/52/33/395025233.db2.gz NIDRUNIBUCJSHH-GJZGRUSLSA-N 0 3 282.428 2.348 20 30 CEEDHN C=C(C)[C@@H](CC(=O)NCCN1CCC[C@@H](C)C1)OCC ZINC000339421003 394958832 /nfs/dbraw/zinc/95/88/32/394958832.db2.gz CPFKEOGKZAJKKZ-HUUCEWRRSA-N 0 3 282.428 2.206 20 30 CEEDHN C#CCN(CCn1ccnc1C)Cc1ccccc1 ZINC000285607937 394961282 /nfs/dbraw/zinc/96/12/82/394961282.db2.gz JPTGUDSYBSSKQD-UHFFFAOYSA-N 0 3 253.349 2.327 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000339530962 394963561 /nfs/dbraw/zinc/96/35/61/394963561.db2.gz PTMRULIJVSCKCO-CHWSQXEVSA-N 0 3 282.347 2.268 20 30 CEEDHN CCN(CC#Cc1ccccc1Cl)[C@@H](C)CO ZINC000339627765 394965285 /nfs/dbraw/zinc/96/52/85/394965285.db2.gz XVXFCFDPPNNUNY-LBPRGKRZSA-N 0 3 251.757 2.394 20 30 CEEDHN Cc1cc(NC[C@@H](c2cccs2)N(C)C)c(C#N)cn1 ZINC000425205474 395052426 /nfs/dbraw/zinc/05/24/26/395052426.db2.gz WIGGTMBHWSPYEI-AWEZNQCLSA-N 0 3 286.404 2.460 20 30 CEEDHN Cc1cc(NC[C@H](c2ccccc2)N(C)C)c(C#N)cn1 ZINC000425203565 395052458 /nfs/dbraw/zinc/05/24/58/395052458.db2.gz RKMHDOYTKXSEOL-QGZVFWFLSA-N 0 3 280.375 2.398 20 30 CEEDHN C[C@H]1CN2CCC[C@H]2CN1c1ncc2c(c1C#N)CCC2 ZINC000425233147 395053441 /nfs/dbraw/zinc/05/34/41/395053441.db2.gz VRSGMJJBADUMSR-JSGCOSHPSA-N 0 3 282.391 2.115 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000344324736 395053870 /nfs/dbraw/zinc/05/38/70/395053870.db2.gz HGIOHINLZDCUPO-MBNYWOFBSA-N 0 3 265.401 2.123 20 30 CEEDHN C=CCOc1ccc(CNC(=O)N[C@@H](C)CN(C)C)cc1 ZINC000288432754 395060070 /nfs/dbraw/zinc/06/00/70/395060070.db2.gz MTROKOFIHLITDP-ZDUSSCGKSA-N 0 3 291.395 2.001 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000374265606 395077522 /nfs/dbraw/zinc/07/75/22/395077522.db2.gz NUWCYTUGVYMDBN-MAUKXSAKSA-N 0 3 299.418 2.220 20 30 CEEDHN C#Cc1ccc(CN2CCN(C3CCOCC3)C[C@@H]2C)cc1 ZINC000289815256 395088040 /nfs/dbraw/zinc/08/80/40/395088040.db2.gz SYSHEEZMLLZEDS-INIZCTEOSA-N 0 3 298.430 2.353 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc(Br)c(C)c1 ZINC000289802767 395088150 /nfs/dbraw/zinc/08/81/50/395088150.db2.gz KZEGXHUULFSFAC-NSHDSACASA-N 0 3 270.170 2.394 20 30 CEEDHN C=CCC[C@H](O)CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289848034 395089172 /nfs/dbraw/zinc/08/91/72/395089172.db2.gz KNDFBKRRZLOWAC-STQMWFEESA-N 0 3 269.776 2.110 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](n2cncn2)C1 ZINC000375332095 395091567 /nfs/dbraw/zinc/09/15/67/395091567.db2.gz KEDZVYLBPWANGW-DOMZBBRYSA-N 0 3 267.336 2.158 20 30 CEEDHN COc1cc(CNC(=O)C(C)C#N)c2ccccc2n1 ZINC000346233774 395092018 /nfs/dbraw/zinc/09/20/18/395092018.db2.gz WZSIEBDFEQDZCJ-JTQLQIEISA-N 0 3 269.304 2.019 20 30 CEEDHN N#CCC1(CNC(=O)CCN2CCc3ccccc3C2)CC1 ZINC000416225082 395033546 /nfs/dbraw/zinc/03/35/46/395033546.db2.gz KHQVSTSQYUOCNS-UHFFFAOYSA-N 0 3 297.402 2.245 20 30 CEEDHN CN(C)[C@@H](CC(=O)N[C@]1(C#N)CC1(C)C)c1ccccc1 ZINC000416235365 395035438 /nfs/dbraw/zinc/03/54/38/395035438.db2.gz SZLJMBSCFFSSJV-YOEHRIQHSA-N 0 3 285.391 2.488 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](CC)N(C)C ZINC000287222637 395036462 /nfs/dbraw/zinc/03/64/62/395036462.db2.gz ITQYMCXFUCCHAG-CVEARBPZSA-N 0 3 272.392 2.077 20 30 CEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000346448517 395099516 /nfs/dbraw/zinc/09/95/16/395099516.db2.gz TXBBYLYYRBBTDA-DYEKYZERSA-N 0 3 291.420 2.407 20 30 CEEDHN CCC[C@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346440069 395099662 /nfs/dbraw/zinc/09/96/62/395099662.db2.gz WLNBZHWWEQDYCM-KBPBESRZSA-N 0 3 277.412 2.449 20 30 CEEDHN C#CCC(C)(C)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000376407105 395119178 /nfs/dbraw/zinc/11/91/78/395119178.db2.gz KSPGCFWZZVZXKD-KBPBESRZSA-N 0 3 262.397 2.121 20 30 CEEDHN CC[C@@H](C)[C@@H](C)N(CC(=O)NC1(C#N)CCC1)C1CC1 ZINC000346861822 395110706 /nfs/dbraw/zinc/11/07/06/395110706.db2.gz YRBGYGCJUUZFFF-CHWSQXEVSA-N 0 3 277.412 2.448 20 30 CEEDHN C[C@H]1C[C@H](Nc2c(C#N)cccc2C#N)CCN1C ZINC000436386622 395112911 /nfs/dbraw/zinc/11/29/11/395112911.db2.gz JFDIDCSQHWZMPC-SMDDNHRTSA-N 0 3 254.337 2.325 20 30 CEEDHN C[C@H]1CN(Cc2cccc(F)c2C#N)[C@@H](C)CN1C ZINC000428299422 395145602 /nfs/dbraw/zinc/14/56/02/395145602.db2.gz FGUNQETWVQWZPZ-RYUDHWBXSA-N 0 3 261.344 2.222 20 30 CEEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H](C)OC ZINC000182096612 395232216 /nfs/dbraw/zinc/23/22/16/395232216.db2.gz XSPSHOBMMGFDGL-ZDUSSCGKSA-N 0 3 262.353 2.042 20 30 CEEDHN C=CCCCCCNC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000520249510 395242785 /nfs/dbraw/zinc/24/27/85/395242785.db2.gz XKJZVTVSHDVBHW-INIZCTEOSA-N 0 3 279.428 2.470 20 30 CEEDHN C=C(C)CN(C)C(=O)NCCN1CCCC[C@@H]1CC ZINC000181114918 395210906 /nfs/dbraw/zinc/21/09/06/395210906.db2.gz FOQHBQZMRSQFPK-AWEZNQCLSA-N 0 3 267.417 2.468 20 30 CEEDHN C=C[C@](C)(O)CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000352947822 395280912 /nfs/dbraw/zinc/28/09/12/395280912.db2.gz DEILEHIUNRIVIX-KRWDZBQOSA-N 0 3 294.439 2.038 20 30 CEEDHN Cc1cc(C#N)ccc1CN(C)CCn1cccn1 ZINC000186228216 395286870 /nfs/dbraw/zinc/28/68/70/395286870.db2.gz CGUBVMRLJFBWFR-UHFFFAOYSA-N 0 3 254.337 2.195 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528766784 395294340 /nfs/dbraw/zinc/29/43/40/395294340.db2.gz SHVDVJPWFPQRQG-YMEQNVIZSA-N 0 3 274.364 2.468 20 30 CEEDHN CC[C@H]1CN(CCN[C@@H]2CCc3ccc(C#N)cc32)CCO1 ZINC000353597674 395302999 /nfs/dbraw/zinc/30/29/99/395302999.db2.gz QSVVNGYXPPUZFH-FUHWJXTLSA-N 0 3 299.418 2.246 20 30 CEEDHN C[S@@](=O)C1(CN[C@H]2CCc3ccc(C#N)cc32)CCC1 ZINC000353669227 395306004 /nfs/dbraw/zinc/30/60/04/395306004.db2.gz TYJQPVJJXCUKQV-MGPUTAFESA-N 0 3 288.416 2.436 20 30 CEEDHN CC[C@@H]1CN(C(=O)C(C)C#N)CCN1Cc1ccccc1 ZINC000354202300 395320884 /nfs/dbraw/zinc/32/08/84/395320884.db2.gz FVRSZDPHUHVJAD-GDBMZVCRSA-N 0 3 285.391 2.269 20 30 CEEDHN C=C[C@H](CO)NCc1cccc(OC(F)(F)F)c1 ZINC000352465362 395257072 /nfs/dbraw/zinc/25/70/72/395257072.db2.gz ISKXIISIEMWKEP-SNVBAGLBSA-N 0 3 261.243 2.222 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc(OCC(F)(F)F)cc1 ZINC000352465039 395257186 /nfs/dbraw/zinc/25/71/86/395257186.db2.gz BWCGAKWJIROSCN-NSHDSACASA-N 0 3 275.270 2.264 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccnc(CCC)c2)CC1 ZINC000354276116 395323545 /nfs/dbraw/zinc/32/35/45/395323545.db2.gz APXPIRVEJJTTFD-UHFFFAOYSA-N 0 3 287.407 2.414 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000183841036 395265396 /nfs/dbraw/zinc/26/53/96/395265396.db2.gz NUKKRHUIUAOIMB-KBPBESRZSA-N 0 3 265.401 2.305 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc2c(c1)nc(C1CC1)n2C ZINC000412332466 395355200 /nfs/dbraw/zinc/35/52/00/395355200.db2.gz PLATYBOIRPZQBL-JTQLQIEISA-N 0 3 282.347 2.227 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)CS1 ZINC000412593033 395361593 /nfs/dbraw/zinc/36/15/93/395361593.db2.gz LFBUQTHFRPDMED-UGFHNGPFSA-N 0 3 299.399 2.251 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC(C)(C)CC)CC1 ZINC000192386281 395382125 /nfs/dbraw/zinc/38/21/25/395382125.db2.gz ADNKQNIEHZXRPE-UHFFFAOYSA-N 0 3 267.417 2.372 20 30 CEEDHN C=C(C)COCCNC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000354456250 395332541 /nfs/dbraw/zinc/33/25/41/395332541.db2.gz DQJCVLCWDNONES-CABCVRRESA-N 0 3 297.443 2.141 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1scnc1C ZINC000411642120 395333362 /nfs/dbraw/zinc/33/33/62/395333362.db2.gz GSZSMCOQVKLXES-UHFFFAOYSA-N 0 3 253.415 2.391 20 30 CEEDHN C=CCN(C)CCN(CC)[C@@H](C)c1csnn1 ZINC000411649321 395334508 /nfs/dbraw/zinc/33/45/08/395334508.db2.gz RIYKLJMGFPXBHB-NSHDSACASA-N 0 3 254.403 2.039 20 30 CEEDHN CCNC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000411751562 395337421 /nfs/dbraw/zinc/33/74/21/395337421.db2.gz BFOCUAYGKQWEGK-AWEZNQCLSA-N 0 3 259.353 2.147 20 30 CEEDHN COC[C@@]1(CO)CCN(CCC2(C#N)CCCCC2)C1 ZINC000411804464 395338869 /nfs/dbraw/zinc/33/88/69/395338869.db2.gz RCFDXKZKLMYEGI-INIZCTEOSA-N 0 3 280.412 2.181 20 30 CEEDHN CC#CCN(C)CCC(=O)Nc1ccccc1OCC ZINC000411773152 395339563 /nfs/dbraw/zinc/33/95/63/395339563.db2.gz SJMBDZWPQRNQPT-UHFFFAOYSA-N 0 3 274.364 2.369 20 30 CEEDHN C[C@H](CC#N)N(C)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000412169709 395350600 /nfs/dbraw/zinc/35/06/00/395350600.db2.gz CLCBNKXGVGDDDK-NDBYEHHHSA-N 0 3 251.374 2.008 20 30 CEEDHN CCN1CCC(N(C)C(=O)Cc2cccc(C#N)c2)CC1 ZINC000530674543 395456958 /nfs/dbraw/zinc/45/69/58/395456958.db2.gz BYOBVSCPIYRDHR-UHFFFAOYSA-N 0 3 285.391 2.043 20 30 CEEDHN Cc1cc(CNCCN2CCOC(C)(C)C2)ccc1C#N ZINC000443988511 395409568 /nfs/dbraw/zinc/40/95/68/395409568.db2.gz OTUKJNVOVATPPD-UHFFFAOYSA-N 0 3 287.407 2.067 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000355414784 395442439 /nfs/dbraw/zinc/44/24/39/395442439.db2.gz WUSUUFNHBOOGGY-OKILXGFUSA-N 0 3 285.391 2.389 20 30 CEEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cnccc1N ZINC000567895630 395540124 /nfs/dbraw/zinc/54/01/24/395540124.db2.gz SGBCLSIKINJBBY-GFCCVEGCSA-N 0 3 266.348 2.411 20 30 CEEDHN 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XWAJVUHEGKFYOT-WCQYABFASA-N 0 3 250.342 2.068 20 30 CEEDHN C=CCCC1(CNC(=O)CNC2CC2)CCCC1 ZINC000659334673 415523225 /nfs/dbraw/zinc/52/32/25/415523225.db2.gz ORXPMOHQWNHJLT-UHFFFAOYSA-N 0 3 250.386 2.381 20 30 CEEDHN C=CCN(C(=O)C[C@@H](N)c1ccccc1)[C@@H](C)COC ZINC000659339742 415528788 /nfs/dbraw/zinc/52/87/88/415528788.db2.gz LLUQRRGFEZCHOT-DZGCQCFKSA-N 0 3 276.380 2.126 20 30 CEEDHN C=CCOCCN1CC[C@H](N(C)c2ccccc2)C1 ZINC000662016186 415571285 /nfs/dbraw/zinc/57/12/85/415571285.db2.gz BEPGJZFOUIULEK-INIZCTEOSA-N 0 3 260.381 2.400 20 30 CEEDHN Fc1ccc(C#CCN2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000662035015 415585802 /nfs/dbraw/zinc/58/58/02/415585802.db2.gz QIIUBNYXLMOKNG-HUUCEWRRSA-N 0 3 259.324 2.146 20 30 CEEDHN COCC#CCN[C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000665272211 415664171 /nfs/dbraw/zinc/66/41/71/415664171.db2.gz OUPGUJPSRAWUKH-OLZOCXBDSA-N 0 3 253.386 2.208 20 30 CEEDHN CC(C)CN1CCO[C@@H](CNCc2ccc(C#N)cc2)C1 ZINC000071122075 176034984 /nfs/dbraw/zinc/03/49/84/176034984.db2.gz VUHAFFMMOSIPIU-KRWDZBQOSA-N 0 3 287.407 2.005 20 30 CEEDHN C=CCN(C(=O)NC[C@@H]1CCN1C(C)(C)C)[C@H](C)COC ZINC000665354809 415704459 /nfs/dbraw/zinc/70/44/59/415704459.db2.gz AXQBFVYOWVIADY-KGLIPLIRSA-N 0 3 297.443 2.092 20 30 CEEDHN C=CCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000078802568 177390345 /nfs/dbraw/zinc/39/03/45/177390345.db2.gz ZVCJQUDIRDHBQK-UHFFFAOYSA-N 0 3 267.417 2.326 20 30 CEEDHN Cc1cccc2c(CCNC(=O)C(C)C#N)c[nH]c21 ZINC000346446756 225800739 /nfs/dbraw/zinc/80/07/39/225800739.db2.gz QGSWTLTXIMWSGU-LLVKDONJSA-N 0 3 255.321 2.295 20 30 CEEDHN CC(C#N)C(=O)NCc1ccccc1OCC(F)(F)F ZINC000347084186 226043205 /nfs/dbraw/zinc/04/32/05/226043205.db2.gz YVWCBOCCCUYTAB-SECBINFHSA-N 0 3 286.253 2.404 20 30 CEEDHN Cc1ccc2ncc(CN[C@@H]3CC[C@H](C#N)C3)n2c1 ZINC000335286049 226229355 /nfs/dbraw/zinc/22/93/55/226229355.db2.gz NGPJJJWEVCMXMM-QWHCGFSZSA-N 0 3 254.337 2.425 20 30 CEEDHN N#CCCCN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000352563745 227069679 /nfs/dbraw/zinc/06/96/79/227069679.db2.gz SXEZLXURABYTTB-NSHDSACASA-N 0 3 291.317 2.071 20 30 CEEDHN [O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+]CC1CCCCC1 ZINC000330202039 228064540 /nfs/dbraw/zinc/06/45/40/228064540.db2.gz YTLSNMUBJOTDFT-CYBMUJFWSA-N 0 3 276.384 2.282 20 30 CEEDHN CN(C)C1(CNC(=O)[C@]2(C#N)CC23CCCC3)CCC1 ZINC000333760430 228212789 /nfs/dbraw/zinc/21/27/89/228212789.db2.gz ZONIFWHXZMZPQN-MRXNPFEDSA-N 0 3 275.396 2.061 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)c2ccncn2)c1 ZINC000352314871 228219768 /nfs/dbraw/zinc/21/97/68/228219768.db2.gz SAVBSAOEEOQHEN-GFCCVEGCSA-N 0 3 252.277 2.031 20 30 CEEDHN C=CCCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000665945232 419485487 /nfs/dbraw/zinc/48/54/87/419485487.db2.gz GMCVLOPHHFRXOB-AWEZNQCLSA-N 0 3 265.401 2.222 20 30 CEEDHN C=C[C@](C)(O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000667012417 419516263 /nfs/dbraw/zinc/51/62/63/419516263.db2.gz DAOICTFJCDRBRY-KRWDZBQOSA-N 0 3 294.439 2.038 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc(CN)c1 ZINC000667734384 419784791 /nfs/dbraw/zinc/78/47/91/419784791.db2.gz WVPFHQPHHGCKDH-KGLIPLIRSA-N 0 3 275.352 2.000 20 30 CEEDHN C#CCN[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000179045156 260273202 /nfs/dbraw/zinc/27/32/02/260273202.db2.gz QLDIJSYVVPSPJX-VXGBXAGGSA-N 0 3 252.358 2.045 20 30 CEEDHN N#CC1(c2ccccc2)CC(NCCSCCCO)C1 ZINC000126753527 260357640 /nfs/dbraw/zinc/35/76/40/260357640.db2.gz ZHWLBOXXNIJBSR-UHFFFAOYSA-N 0 3 290.432 2.316 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(CC)CCC2)CC1 ZINC000176015390 261260084 /nfs/dbraw/zinc/26/00/84/261260084.db2.gz LYAGBODQHSUDIR-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN C[C@H]1CC[C@@H](C(N)=O)CN1CC#Cc1ccc(Cl)cc1 ZINC000177118728 261332707 /nfs/dbraw/zinc/33/27/07/261332707.db2.gz SATJPIULOZOLEZ-GXTWGEPZSA-N 0 3 290.794 2.277 20 30 CEEDHN CCC[C@@H]1CN(CC#N)CCN1Cc1ccccc1 ZINC000180270317 261850846 /nfs/dbraw/zinc/85/08/46/261850846.db2.gz KZILIEBTIGMBOO-MRXNPFEDSA-N 0 3 257.381 2.496 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000497272640 262129858 /nfs/dbraw/zinc/12/98/58/262129858.db2.gz SGMFCFDCSTWJDR-UTUOFQBUSA-N 0 3 295.383 2.050 20 30 CEEDHN C=CCCC(=O)N1C[C@H](N)[C@H](c2ccc(F)cc2)C1 ZINC000364177967 262180533 /nfs/dbraw/zinc/18/05/33/262180533.db2.gz BXKBFYKHLXBZKG-KBPBESRZSA-N 0 3 262.328 2.045 20 30 CEEDHN CC[C@H](C)CN(C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000111254627 262258049 /nfs/dbraw/zinc/25/80/49/262258049.db2.gz KOZLKFNIGIIZCZ-YDHLFZDLSA-N 0 3 267.417 2.407 20 30 CEEDHN C=CC1CCN(Cc2cc(=O)n3c(C)cccc3n2)CC1 ZINC000111259708 262259089 /nfs/dbraw/zinc/25/90/89/262259089.db2.gz SRIWHRNGLWMWAH-UHFFFAOYSA-N 0 3 283.375 2.401 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC12CCCC2 ZINC000364867100 262263446 /nfs/dbraw/zinc/26/34/46/262263446.db2.gz XWXNYBRCNQPTKA-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN N#CC(C(=O)c1cn2c(n1)CCC2)c1nc2ccccc2[nH]1 ZINC000521434147 262336151 /nfs/dbraw/zinc/33/61/51/262336151.db2.gz DEKUHGUILOWCGU-JTQLQIEISA-N 0 3 291.314 2.196 20 30 CEEDHN C=CCNC(=O)CNC1CC(C)(c2ccc(F)cc2)C1 ZINC000365231418 262352837 /nfs/dbraw/zinc/35/28/37/262352837.db2.gz ZISXMVRIHONNAM-UHFFFAOYSA-N 0 3 276.355 2.138 20 30 CEEDHN N#CCCCCN1CCC[C@](O)(C(F)(F)F)C1 ZINC000336689527 262379866 /nfs/dbraw/zinc/37/98/66/262379866.db2.gz HRMSIEGRPYJSGV-SNVBAGLBSA-N 0 3 250.264 2.069 20 30 CEEDHN COc1ccc(C2CC(NC(=O)C(C)C#N)C2)cc1F ZINC000337635636 262464133 /nfs/dbraw/zinc/46/41/33/262464133.db2.gz FNGRZOLCRCLMSJ-OIKLOGQESA-N 0 3 276.311 2.356 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000339206292 262617212 /nfs/dbraw/zinc/61/72/12/262617212.db2.gz SCHQPGOMOZFRQD-HNNXBMFYSA-N 0 3 294.439 2.302 20 30 CEEDHN CN1CC[C@H](NC(=O)NCCCC#N)[C@H]1c1ccccc1 ZINC000273512889 263017558 /nfs/dbraw/zinc/01/75/58/263017558.db2.gz IWPGBYUGICJZFK-LSDHHAIUSA-N 0 3 286.379 2.035 20 30 CEEDHN N#CCc1ccc(NC(=O)C23CCCN2CCC3)cc1 ZINC000278650787 263049326 /nfs/dbraw/zinc/04/93/26/263049326.db2.gz WCCWUKNYIJEUDT-UHFFFAOYSA-N 0 3 269.348 2.320 20 30 CEEDHN CC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279173393 263053287 /nfs/dbraw/zinc/05/32/87/263053287.db2.gz DDADLQWSYSKYQT-FZMZJTMJSA-N 0 3 255.321 2.155 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC=CCC2)cc1 ZINC000280455405 263061865 /nfs/dbraw/zinc/06/18/65/263061865.db2.gz NZBRROFXBNNQNM-HZPDHXFCSA-N 0 3 279.343 2.465 20 30 CEEDHN CO[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000280579735 263063126 /nfs/dbraw/zinc/06/31/26/263063126.db2.gz VZKJKNMEKMDNKV-HOTGVXAUSA-N 0 3 299.374 2.028 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CC(F)(F)C2)cc1 ZINC000281238438 263067585 /nfs/dbraw/zinc/06/75/85/263067585.db2.gz OYTSLIYDLGCRFC-GFCCVEGCSA-N 0 3 289.285 2.154 20 30 CEEDHN C[C@@H]1CN(CCCC(C)(C)C#N)C[C@]2(CCOC2)O1 ZINC000366591198 263067597 /nfs/dbraw/zinc/06/75/97/263067597.db2.gz NDSULGRAWPBGIH-HIFRSBDPSA-N 0 3 266.385 2.196 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NCCCN1CCc2ccccc2C1 ZINC000285022247 263089394 /nfs/dbraw/zinc/08/93/94/263089394.db2.gz DTUGGHDRJRWUSS-GOSISDBHSA-N 0 3 299.418 2.491 20 30 CEEDHN C[C@H](NCCCC#N)c1ccccc1-n1ccnn1 ZINC000285992468 263096837 /nfs/dbraw/zinc/09/68/37/263096837.db2.gz HCWHSFCIVKBEPR-LBPRGKRZSA-N 0 3 255.325 2.222 20 30 CEEDHN C[C@@H](CO)N(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000289393015 263109936 /nfs/dbraw/zinc/10/99/36/263109936.db2.gz FHSLHKRVYAEITR-AWEZNQCLSA-N 0 3 298.390 2.276 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC(Nc3cccnn3)CC2)C1 ZINC000292976836 263136857 /nfs/dbraw/zinc/13/68/57/263136857.db2.gz DYXBAJBMAROKEI-OCCSQVGLSA-N 0 3 271.368 2.045 20 30 CEEDHN CCc1ccc([C@@H](C#N)NC(=O)CN(CC)CC)cc1 ZINC000293291047 263139281 /nfs/dbraw/zinc/13/92/81/263139281.db2.gz IAERYACXLDSBTO-OAHLLOKOSA-N 0 3 273.380 2.272 20 30 CEEDHN C=CCOCCN(CC)Cc1ccc2c(c1)OCO2 ZINC000293461960 263141011 /nfs/dbraw/zinc/14/10/11/263141011.db2.gz LDVPDLWTZVFMRD-UHFFFAOYSA-N 0 3 263.337 2.440 20 30 CEEDHN CC[C@H](O)CN(CCOCCC#N)Cc1ccccc1 ZINC000293777878 263149799 /nfs/dbraw/zinc/14/97/99/263149799.db2.gz LLZGUWOXDYNADU-INIZCTEOSA-N 0 3 276.380 2.190 20 30 CEEDHN C[C@H](NCCOCCC#N)c1ccc([S@@](C)=O)cc1 ZINC000294483059 263162527 /nfs/dbraw/zinc/16/25/27/263162527.db2.gz HIBPVZSWHGHOCJ-HXPMCKFVSA-N 0 3 280.393 2.005 20 30 CEEDHN Cc1ccc([C@@H](C)NCCOCCC#N)cc1[N+](=O)[O-] ZINC000294577560 263163859 /nfs/dbraw/zinc/16/38/59/263163859.db2.gz MMKVEYMRKYYQCI-GFCCVEGCSA-N 0 3 277.324 2.484 20 30 CEEDHN C[C@H](NCCOCCC#N)c1ccccc1[N+](=O)[O-] ZINC000294637588 263165392 /nfs/dbraw/zinc/16/53/92/263165392.db2.gz PQOVZWNCTVSHTN-NSHDSACASA-N 0 3 263.297 2.176 20 30 CEEDHN CC/C=C/CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000296005241 263184816 /nfs/dbraw/zinc/18/48/16/263184816.db2.gz SGDFMQSLRBCTFF-BWPKMQGJSA-N 0 3 267.332 2.323 20 30 CEEDHN CCN(CCC#N)C(=O)CNC(C)(C)c1ccccc1 ZINC000299636584 263249753 /nfs/dbraw/zinc/24/97/53/263249753.db2.gz RRSROUGLOKKYBR-UHFFFAOYSA-N 0 3 273.380 2.273 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@](CC)(CO)C1 ZINC000187543077 263262472 /nfs/dbraw/zinc/26/24/72/263262472.db2.gz RGSVIRXMXWTAAC-RDJZCZTQSA-N 0 3 296.455 2.284 20 30 CEEDHN C#CCNC(=O)[C@@H](C)NCC1(c2ccccc2)CCCC1 ZINC000119713593 263275295 /nfs/dbraw/zinc/27/52/95/263275295.db2.gz MLEVWRRALZNNPR-OAHLLOKOSA-N 0 3 284.403 2.226 20 30 CEEDHN C=CCn1c(C)nnc1SCCN1CCCCC1 ZINC000041361447 263286014 /nfs/dbraw/zinc/28/60/14/263286014.db2.gz IFUIXRDWEAIHKI-UHFFFAOYSA-N 0 3 266.414 2.351 20 30 CEEDHN Cc1csc(NC(=O)C(C#N)c2cc(C)nc(C)n2)n1 ZINC000340760840 263305043 /nfs/dbraw/zinc/30/50/43/263305043.db2.gz NTAOZOPFLLUXDX-SNVBAGLBSA-N 0 3 287.348 2.104 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(c2cccnn2)CC1 ZINC000340956128 263313759 /nfs/dbraw/zinc/31/37/59/263313759.db2.gz UPHCQBQMXDSGHS-CQSZACIVSA-N 0 3 260.385 2.343 20 30 CEEDHN COc1cc([C@H](C)NCCCC#N)ccc1OCCO ZINC000341593172 263343740 /nfs/dbraw/zinc/34/37/40/263343740.db2.gz YYSVIJAHYAZKBK-LBPRGKRZSA-N 0 3 278.352 2.021 20 30 CEEDHN C=CC[C@H](CO)CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000341871097 263360667 /nfs/dbraw/zinc/36/06/67/263360667.db2.gz COWKNDWOZZAKSY-STQMWFEESA-N 0 3 251.374 2.299 20 30 CEEDHN CC(C#N)C(=O)N1CCC(CCCn2ccnc2)CC1 ZINC000341900917 263367400 /nfs/dbraw/zinc/36/74/00/263367400.db2.gz LMTKHKNATIKEPQ-ZDUSSCGKSA-N 0 3 274.368 2.062 20 30 CEEDHN C=CCCN(C)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000342432718 263433666 /nfs/dbraw/zinc/43/36/66/263433666.db2.gz DQDSYRILYYCYCA-ZIAGYGMSSA-N 0 3 267.417 2.467 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)NC1CCN(C2CC2)CC1 ZINC000334445543 263633418 /nfs/dbraw/zinc/63/34/18/263633418.db2.gz JLLKSCCEPFWGAW-CQSZACIVSA-N 0 3 277.412 2.363 20 30 CEEDHN CO[C@H](C)c1nc(C)c(C(=O)N[C@@H](C)CN(C)C)s1 ZINC000330677224 264014898 /nfs/dbraw/zinc/01/48/98/264014898.db2.gz KYGDXYYXYJKCOQ-WCBMZHEXSA-N 0 3 285.413 2.414 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(C(=O)OC)c(C)o1 ZINC000425349152 264023408 /nfs/dbraw/zinc/02/34/08/264023408.db2.gz FYUVBSCWPKPDEX-FZMZJTMJSA-N 0 3 279.336 2.055 20 30 CEEDHN CN(Cc1ccccc1C(C)(C)C#N)[C@]1(CO)CCOC1 ZINC000330804009 264042606 /nfs/dbraw/zinc/04/26/06/264042606.db2.gz KNBFNEOKCNZPMP-KRWDZBQOSA-N 0 3 288.391 2.071 20 30 CEEDHN Cc1cc(CN2CCC[C@@H](n3ccnn3)C2)ccc1C#N ZINC000425354658 264127069 /nfs/dbraw/zinc/12/70/69/264127069.db2.gz SEGCBYBUGWGPCD-MRXNPFEDSA-N 0 3 281.363 2.295 20 30 CEEDHN C=CC[C@@H]1N([C@@H](C)C(=O)NC(=O)NCC)CCCC1(C)C ZINC000331281967 264172427 /nfs/dbraw/zinc/17/24/27/264172427.db2.gz CTEOOVXQPFHTQR-STQMWFEESA-N 0 3 295.427 2.492 20 30 CEEDHN O=C(NC[C@@H]1CCCCN1CCO)c1cccc(Cl)c1 ZINC000331334576 264192558 /nfs/dbraw/zinc/19/25/58/264192558.db2.gz PVDWAKNJPPKNAW-AWEZNQCLSA-N 0 3 296.798 2.491 20 30 CEEDHN C[C@@H](CO)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331337994 264194679 /nfs/dbraw/zinc/19/46/79/264194679.db2.gz JHAZPNMQCSHNRP-ZDUSSCGKSA-N 0 3 276.380 2.358 20 30 CEEDHN Cc1ccc(C)c(C(=O)NC[C@H]2CCCCN2CCO)c1 ZINC000331343398 264196303 /nfs/dbraw/zinc/19/63/03/264196303.db2.gz UHNDGCYCGCATAI-OAHLLOKOSA-N 0 3 290.407 2.455 20 30 CEEDHN Cc1cc(C)c(NC(=O)NC[C@@H](C)N(C)C)c(C)n1 ZINC000331347668 264205692 /nfs/dbraw/zinc/20/56/92/264205692.db2.gz WUIXJCJZTQXNEW-LLVKDONJSA-N 0 3 264.373 2.283 20 30 CEEDHN C[C@@]1(O)CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC000280269477 264441667 /nfs/dbraw/zinc/44/16/67/264441667.db2.gz YHAVCOYAKXIAAC-MRXNPFEDSA-N 0 3 261.340 2.414 20 30 CEEDHN C=CCN1CCC(Nc2nccnc2C(F)F)CC1 ZINC000289022256 264699306 /nfs/dbraw/zinc/69/93/06/264699306.db2.gz YBTDYIISEGCOLQ-UHFFFAOYSA-N 0 3 268.311 2.477 20 30 CEEDHN C=C[C@@H](CO)N[C@H](C)c1cc(OC)c(OC)cc1C ZINC000289936031 264746436 /nfs/dbraw/zinc/74/64/36/264746436.db2.gz VTZLDYBJMZUWDW-NEPJUHHUSA-N 0 3 265.353 2.210 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C/c1ccc(F)c(F)c1 ZINC000294085319 265006692 /nfs/dbraw/zinc/00/66/92/265006692.db2.gz XDMJSEAYNDXDNL-SOFGYWHQSA-N 0 3 292.329 2.049 20 30 CEEDHN N#CC1(NC(=O)CN2CCC[C@H]2C2CCCC2)CCC1 ZINC000525885728 265031881 /nfs/dbraw/zinc/03/18/81/265031881.db2.gz LLOPPHYVAIOBAK-AWEZNQCLSA-N 0 3 275.396 2.203 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000356578302 266140566 /nfs/dbraw/zinc/14/05/66/266140566.db2.gz CYYREQSHAAHHMG-KWCYVHTRSA-N 0 3 258.321 2.183 20 30 CEEDHN C=CCCC1(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)CC1 ZINC000356731083 266166386 /nfs/dbraw/zinc/16/63/86/266166386.db2.gz JTASWTKSDDNRKO-CHWSQXEVSA-N 0 3 250.386 2.332 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H](C)C1CCC1 ZINC000357037405 266236686 /nfs/dbraw/zinc/23/66/86/266236686.db2.gz MCHSBKRPOUPLKC-WFASDCNBSA-N 0 3 265.401 2.161 20 30 CEEDHN C=CCN(C(=O)N[C@@H](C)CN1CCC[C@H](C)C1)C1CC1 ZINC000357572421 266328311 /nfs/dbraw/zinc/32/83/11/266328311.db2.gz NNNFDRZYCCMRDF-KBPBESRZSA-N 0 3 279.428 2.467 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1C(C)C ZINC000357665014 266342218 /nfs/dbraw/zinc/34/22/18/266342218.db2.gz QYMOIOOOZAGYPN-KGLIPLIRSA-N 0 3 265.401 2.115 20 30 CEEDHN C=CC[C@@H](C)NC(=O)NCC1(SC)CCN(C)CC1 ZINC000357790378 266363000 /nfs/dbraw/zinc/36/30/00/266363000.db2.gz FATREICCUIIZIO-GFCCVEGCSA-N 0 3 285.457 2.078 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000357917694 266384851 /nfs/dbraw/zinc/38/48/51/266384851.db2.gz QVUDNORVZJKEFX-XBFCOCLRSA-N 0 3 258.321 2.040 20 30 CEEDHN Cc1cc(C)cc(NC(=O)C(C#N)c2ccncn2)c1 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/nfs/dbraw/zinc/08/73/91/277087391.db2.gz XQBKQHQEOPYJTM-HNNXBMFYSA-N 0 3 274.343 2.014 20 30 CEEDHN CSCC[C@@H](CO)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353270757 278131075 /nfs/dbraw/zinc/13/10/75/278131075.db2.gz WWPAHACSMMSOFS-DZGCQCFKSA-N 0 3 276.405 2.249 20 30 CEEDHN C[C@@H](CN1CCCC1=O)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353258713 278251946 /nfs/dbraw/zinc/25/19/46/278251946.db2.gz RLJXDIDRJAFDLS-LRDDRELGSA-N 0 3 283.375 2.146 20 30 CEEDHN C[C@@H](CN1CCOCC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358571139 278265321 /nfs/dbraw/zinc/26/53/21/278265321.db2.gz ODXGLLHBHBWHGA-STQMWFEESA-N 0 3 291.370 2.069 20 30 CEEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)C2(C#N)CCCC2)C[C@@H](C)C1 ZINC000346231200 279007035 /nfs/dbraw/zinc/00/70/35/279007035.db2.gz NOPWMZKWJLGNPH-RRFJBIMHSA-N 0 3 289.423 2.259 20 30 CEEDHN C[C@H](CN[C@@H]1CCC[C@H]1C#N)CN[C@@H]1CCC[C@@H]1C#N ZINC000332329120 279349563 /nfs/dbraw/zinc/34/95/63/279349563.db2.gz PIWUXQJSZKXSOI-YIDVYQOGSA-N 0 3 274.412 2.186 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)[C@H](CO)C(C)(C)C ZINC000134436041 280021849 /nfs/dbraw/zinc/02/18/49/280021849.db2.gz USFJABATWASYSU-OAHLLOKOSA-N 0 3 276.380 2.406 20 30 CEEDHN CC(C)[C@H]1CCCCN1CC(=O)N(CCC#N)CCC#N ZINC000117349558 280366461 /nfs/dbraw/zinc/36/64/61/280366461.db2.gz UYCVTHNLSPBYTH-OAHLLOKOSA-N 0 3 290.411 2.153 20 30 CEEDHN Cc1ccc2ncc(C#N)c(NCC3(N(C)C)CC3)c2c1 ZINC000419006902 280766600 /nfs/dbraw/zinc/76/66/00/280766600.db2.gz IYQKHDNMRGXWDB-UHFFFAOYSA-N 0 3 280.375 2.343 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000348631072 281283631 /nfs/dbraw/zinc/28/36/31/281283631.db2.gz YJJBIFCGQGYEKX-DOTOQJQBSA-N 0 3 287.407 2.215 20 30 CEEDHN CC(C(=O)N1CC(=O)Nc2ccc(C#N)cc21)C(F)(F)F ZINC000334804533 289258890 /nfs/dbraw/zinc/25/88/90/289258890.db2.gz BODFRSBRSXUUFJ-SSDOTTSWSA-N 0 3 297.236 2.042 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]([C@H](C)O)C1 ZINC000305751918 289273695 /nfs/dbraw/zinc/27/36/95/289273695.db2.gz ZZFNBAKXZJCTNW-GXTWGEPZSA-N 0 3 274.364 2.160 20 30 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280.375 2.398 20 30 CEEDHN C=CCCCN1CCN(CCOC)[C@H](CCC)C1 ZINC000347612772 527199426 /nfs/dbraw/zinc/19/94/26/527199426.db2.gz YWQVTOXMFZZGJV-OAHLLOKOSA-N 0 3 254.418 2.385 20 30 CEEDHN N#Cc1cnn2cc(CN(CC3CC3)CC3CC3)cnc12 ZINC000567895690 313917238 /nfs/dbraw/zinc/91/72/38/313917238.db2.gz UJXYCSNDCJQEMC-UHFFFAOYSA-N 0 3 281.363 2.223 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CC[C@H](CC3CC3)C2)c1 ZINC000570181067 314030363 /nfs/dbraw/zinc/03/03/63/314030363.db2.gz SRRODPYWPYDQSX-QGZVFWFLSA-N 0 3 297.402 2.296 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)nc1 ZINC000570341329 314035185 /nfs/dbraw/zinc/03/51/85/314035185.db2.gz GDHYGBKXDRAJNY-OAGGEKHMSA-N 0 3 271.364 2.079 20 30 CEEDHN CN1CC=C(CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000577349662 314365917 /nfs/dbraw/zinc/36/59/17/314365917.db2.gz PKEREJLQDLVOQW-DLBZAZTESA-N 0 3 295.386 2.040 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc(Br)cc1C ZINC000289898860 327978479 /nfs/dbraw/zinc/97/84/79/327978479.db2.gz QXLWMPYYUZCSSB-LBPRGKRZSA-N 0 3 270.170 2.394 20 30 CEEDHN N#C[C@@H]1N(CCN2CCCCC2)CCC[C@]12CCCCO2 ZINC000366101300 327986510 /nfs/dbraw/zinc/98/65/10/327986510.db2.gz ZYVJSIJQWWKYQE-DLBZAZTESA-N 0 3 291.439 2.400 20 30 CEEDHN C=C(Cl)CNC1CC(NC(=O)OC(C)(C)C)C1 ZINC000160995492 328115821 /nfs/dbraw/zinc/11/58/21/328115821.db2.gz VUJRMBFIFOTSJR-UHFFFAOYSA-N 0 3 260.765 2.384 20 30 CEEDHN C=CC[C@H](CO)NCc1cccc2c1OC(F)(F)O2 ZINC000414427071 328167979 /nfs/dbraw/zinc/16/79/79/328167979.db2.gz DTBSNMRZSVVGML-SNVBAGLBSA-N 0 3 271.263 2.035 20 30 CEEDHN C=CCC[C@@H](N[C@@H](CCO)COC)c1ccco1 ZINC000286094003 328249285 /nfs/dbraw/zinc/24/92/85/328249285.db2.gz MXKNAGNERJOYJK-QWHCGFSZSA-N 0 3 253.342 2.274 20 30 CEEDHN CC1(C)C[C@]1(C#N)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000292517013 328271155 /nfs/dbraw/zinc/27/11/55/328271155.db2.gz QGPPTXCAGSEGEU-PBFPGSCMSA-N 0 3 298.342 2.099 20 30 CEEDHN CC[C@@H](C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)N(C)C ZINC000298809923 328297570 /nfs/dbraw/zinc/29/75/70/328297570.db2.gz FVOWQSQDYDCGFS-STQMWFEESA-N 0 3 279.771 2.361 20 30 CEEDHN CN1C[C@H](N[C@H]2CCCCc3cc(C#N)ccc32)CC1=O ZINC000583700954 322563081 /nfs/dbraw/zinc/56/30/81/322563081.db2.gz HDCHEHXGWNYLJL-ZBFHGGJFSA-N 0 3 283.375 2.146 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cnc(-c2ccncc2)s1 ZINC000341270404 328405997 /nfs/dbraw/zinc/40/59/97/328405997.db2.gz LTDINPDTJSPGCO-GFCCVEGCSA-N 0 3 289.404 2.479 20 30 CEEDHN C#CCN(C)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000292555712 328538770 /nfs/dbraw/zinc/53/87/70/328538770.db2.gz UHJOSWLHZNFIAI-CQSZACIVSA-N 0 3 293.436 2.406 20 30 CEEDHN Cc1nc(NC[C@@H]2N(C)CCCC2(C)C)ccc1C#N ZINC000584148680 327049570 /nfs/dbraw/zinc/04/95/70/327049570.db2.gz TYEQESLSQNKNLY-AWEZNQCLSA-N 0 3 272.396 2.216 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000566681430 327439662 /nfs/dbraw/zinc/43/96/62/327439662.db2.gz TTZYCPHVWMMNFK-UONOGXRCSA-N 0 3 298.390 2.023 20 30 CEEDHN CN(C)Cc1ccccc1NC(=O)c1c[nH]c(C#N)c1 ZINC000562278594 327462423 /nfs/dbraw/zinc/46/24/23/327462423.db2.gz JHPWDQGRYJFIAE-UHFFFAOYSA-N 0 3 268.320 2.200 20 30 CEEDHN C[C@@]1(NCC(=O)NC2(C#N)CCC2)CCCc2ccccc21 ZINC000527377020 328687633 /nfs/dbraw/zinc/68/76/33/328687633.db2.gz MXWAOVIGGAGADC-QGZVFWFLSA-N 0 3 297.402 2.390 20 30 CEEDHN C=C[C@H](C)N[C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000358318099 328881977 /nfs/dbraw/zinc/88/19/77/328881977.db2.gz LUMVTCAQKXGWES-WDEREUQCSA-N 0 3 283.393 2.324 20 30 CEEDHN C#CCOc1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000378322056 329046009 /nfs/dbraw/zinc/04/60/09/329046009.db2.gz CIPXASUKHBLMOE-IAGOWNOFSA-N 0 3 271.360 2.356 20 30 CEEDHN C#CC[C@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000378443975 329050264 /nfs/dbraw/zinc/05/02/64/329050264.db2.gz LBWWQXRXJYBYNS-KSZLIROESA-N 0 3 284.403 2.204 20 30 CEEDHN C[C@@H](CNC(=O)NCCCCC#N)N1CCC[C@@H](C)C1 ZINC000171422190 329075548 /nfs/dbraw/zinc/07/55/48/329075548.db2.gz CHUULUBFGIHHJE-KGLIPLIRSA-N 0 3 280.416 2.100 20 30 CEEDHN C[C@@H](CNC(=O)NCCCCC#N)N1CCC[C@H](C)C1 ZINC000171422195 329075624 /nfs/dbraw/zinc/07/56/24/329075624.db2.gz CHUULUBFGIHHJE-KBPBESRZSA-N 0 3 280.416 2.100 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ncc(C)s2)CC1 ZINC000171680392 329078255 /nfs/dbraw/zinc/07/82/55/329078255.db2.gz OJHFKGYGJXOLJE-UHFFFAOYSA-N 0 3 280.397 2.223 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CC2CC2)CC1 ZINC000171870861 329080413 /nfs/dbraw/zinc/08/04/13/329080413.db2.gz JZQJWRFMIRBOBZ-LBPRGKRZSA-N 0 3 265.401 2.125 20 30 CEEDHN CC#CCCCC(=O)NCCN1CCCCCC1 ZINC000185095161 329268035 /nfs/dbraw/zinc/26/80/35/329268035.db2.gz OMQNWRAVONVGBL-UHFFFAOYSA-N 0 3 250.386 2.172 20 30 CEEDHN CC#CCCCC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000185896739 329334770 /nfs/dbraw/zinc/33/47/70/329334770.db2.gz BIIGKXDACNQXNY-LSDHHAIUSA-N 0 3 262.397 2.123 20 30 CEEDHN C=CCCCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000583183690 329348478 /nfs/dbraw/zinc/34/84/78/329348478.db2.gz CUQKEGWXYOINOU-CQSZACIVSA-N 0 3 265.401 2.222 20 30 CEEDHN CC(C)CN(CCCCC(C)(C)C#N)CC(N)=O ZINC000232581626 329388621 /nfs/dbraw/zinc/38/86/21/329388621.db2.gz DZMJTROSIHVOMR-UHFFFAOYSA-N 0 3 253.390 2.150 20 30 CEEDHN C=CCCOCC[NH2+]Cc1cccc(OC)c1[O-] ZINC000120884145 329551445 /nfs/dbraw/zinc/55/14/45/329551445.db2.gz ZNBBRWUZMBPEJM-UHFFFAOYSA-N 0 3 251.326 2.083 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@H](N)CCCC ZINC000236775434 329690589 /nfs/dbraw/zinc/69/05/89/329690589.db2.gz MFROZXAIWVCQCR-CQSZACIVSA-N 0 3 276.380 2.385 20 30 CEEDHN C=CCOc1ccccc1CNC1CCN(OC)CC1 ZINC000421394311 329820980 /nfs/dbraw/zinc/82/09/80/329820980.db2.gz GCMRITUVEKKFSH-UHFFFAOYSA-N 0 3 276.380 2.367 20 30 CEEDHN C=CC[C@H](CO)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000320276582 329950564 /nfs/dbraw/zinc/95/05/64/329950564.db2.gz NGRIMBBKCCTZEV-SMDDNHRTSA-N 0 3 277.364 2.045 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000421772385 330074862 /nfs/dbraw/zinc/07/48/62/330074862.db2.gz ZEEJDXNSRPCBSM-MJBXVCDLSA-N 0 3 262.397 2.189 20 30 CEEDHN CCCc1[nH]ccc1C(=O)C(C#N)c1ccncn1 ZINC000422121020 330125596 /nfs/dbraw/zinc/12/55/96/330125596.db2.gz NSTFOZLKMJMPHD-NSHDSACASA-N 0 3 254.293 2.247 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)NC[C@H](N)c1ccccc1CC ZINC000423990354 330217504 /nfs/dbraw/zinc/21/75/04/330217504.db2.gz ZEGYIENCWXNRAZ-BBRMVZONSA-N 0 3 290.407 2.346 20 30 CEEDHN CCN(Cc1cccs1)C(=O)[C@@H](N)CCCC#N ZINC000424064929 330219181 /nfs/dbraw/zinc/21/91/81/330219181.db2.gz KPPGHEQEDUNNQQ-LBPRGKRZSA-N 0 3 265.382 2.118 20 30 CEEDHN C[C@@H](CCc1ccccc1)NC(=O)[C@@H](N)CCCC#N ZINC000424073710 330220457 /nfs/dbraw/zinc/22/04/57/330220457.db2.gz FYZPAGMPWWYJFE-ZFWWWQNUSA-N 0 3 273.380 2.145 20 30 CEEDHN CCCOc1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000424075963 330220886 /nfs/dbraw/zinc/22/08/86/330220886.db2.gz KPWXNXIZXVKMTN-LBPRGKRZSA-N 0 3 275.352 2.435 20 30 CEEDHN COc1c(Cl)cccc1NC(=O)[C@H](N)CCCC#N ZINC000424082274 330223884 /nfs/dbraw/zinc/22/38/84/330223884.db2.gz LGEHDYQUZCFAHU-SNVBAGLBSA-N 0 3 281.743 2.308 20 30 CEEDHN C[C@@H](c1cccs1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424092071 330225351 /nfs/dbraw/zinc/22/53/51/330225351.db2.gz PHWRKECXJNZVQP-QWRGUYRKSA-N 0 3 265.382 2.289 20 30 CEEDHN Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H](N)CCCC#N ZINC000424107256 330234592 /nfs/dbraw/zinc/23/45/92/330234592.db2.gz YZYRMIUOQIOKJL-LSDHHAIUSA-N 0 3 271.364 2.120 20 30 CEEDHN CC(C)(C)C[C@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424110548 330237386 /nfs/dbraw/zinc/23/73/86/330237386.db2.gz DHKJDUOCBMPFBM-CHWSQXEVSA-N 0 3 265.401 2.435 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000424119637 330247502 /nfs/dbraw/zinc/24/75/02/330247502.db2.gz FYRGIBRXYSGHDV-OAHLLOKOSA-N 0 3 287.363 2.435 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000424122078 330253784 /nfs/dbraw/zinc/25/37/84/330253784.db2.gz IWMUPJNSWRJAEW-CVEARBPZSA-N 0 3 285.391 2.145 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000424122081 330253861 /nfs/dbraw/zinc/25/38/61/330253861.db2.gz IWMUPJNSWRJAEW-HZPDHXFCSA-N 0 3 285.391 2.145 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1CCNC(=O)[C@H](N)CCCC#N ZINC000424134025 330266543 /nfs/dbraw/zinc/26/65/43/330266543.db2.gz HLBCNTHVUXRINU-MGPQQGTHSA-N 0 3 265.401 2.340 20 30 CEEDHN C[C@@H]1c2ccccc2CCN1C(=O)[C@@H](N)CCCC#N ZINC000424137662 330274814 /nfs/dbraw/zinc/27/48/14/330274814.db2.gz MDLMNGRMYVHIEW-DOMZBBRYSA-N 0 3 271.364 2.153 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NC[C@@H](n2cccn2)C(F)(F)F)C1 ZINC000527935435 330297854 /nfs/dbraw/zinc/29/78/54/330297854.db2.gz VPCBPPYOMJOTIQ-GMTAPVOTSA-N 0 3 272.274 2.268 20 30 CEEDHN CCn1c2ccc(C)cc2nc1NC(=O)[C@H](N)CCCC#N ZINC000424163495 330308044 /nfs/dbraw/zinc/30/80/44/330308044.db2.gz ADLCNYAPAYSNST-GFCCVEGCSA-N 0 3 299.378 2.324 20 30 CEEDHN Cc1nn(-c2ccccc2)cc1NC(=O)[C@H](N)CCCC#N ZINC000424165637 330309291 /nfs/dbraw/zinc/30/92/91/330309291.db2.gz FCUAWSDLZMTXLK-CQSZACIVSA-N 0 3 297.362 2.140 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1cn2cc(C)ccc2n1 ZINC000424172052 330311821 /nfs/dbraw/zinc/31/18/21/330311821.db2.gz NEUVDSOXFSTLDD-ZFWWWQNUSA-N 0 3 271.364 2.323 20 30 CEEDHN C=CCn1cc(CNC[C@@H]2C[C@H]2c2ccccc2)nn1 ZINC000424170089 330312117 /nfs/dbraw/zinc/31/21/17/330312117.db2.gz JAOSPEXTWBUBMB-HOCLYGCPSA-N 0 3 268.364 2.357 20 30 CEEDHN Cn1cc(NC(=O)[C@@H](N)CCCC#N)c(-c2ccccc2)n1 ZINC000424178521 330318244 /nfs/dbraw/zinc/31/82/44/330318244.db2.gz WVQZAEVZVXCWOV-ZDUSSCGKSA-N 0 3 297.362 2.047 20 30 CEEDHN CCC(C)(C)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424179026 330318479 /nfs/dbraw/zinc/31/84/79/330318479.db2.gz YAOHOAUJNVHHAP-STQMWFEESA-N 0 3 265.401 2.435 20 30 CEEDHN Cn1cc(CN[C@@H]2CC[C@H](C#N)C2)c(C(F)F)n1 ZINC000424199343 330326243 /nfs/dbraw/zinc/32/62/43/330326243.db2.gz KQCABDOOMSOEDW-WCBMZHEXSA-N 0 3 254.284 2.140 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2cnn(CC(F)(F)F)c2)C1 ZINC000424204277 330327528 /nfs/dbraw/zinc/32/75/28/330327528.db2.gz VHAXXOZAPHNXJH-GXSJLCMTSA-N 0 3 272.274 2.227 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(C(=O)OC)co1 ZINC000424299600 330336871 /nfs/dbraw/zinc/33/68/71/330336871.db2.gz VSAQDHHTRWFBBS-MDZLAQPJSA-N 0 3 279.336 2.308 20 30 CEEDHN N#CCC[C@H](C#N)CNC[C@H](CO)C1CCCCC1 ZINC000514790044 330464951 /nfs/dbraw/zinc/46/49/51/330464951.db2.gz HZOUTZFLQBLKDP-UKRRQHHQSA-N 0 3 263.385 2.208 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2CC[C@H](C)C2)CC1 ZINC000428584480 330528193 /nfs/dbraw/zinc/52/81/93/330528193.db2.gz CUTQFSXMIVFCII-ZFWWWQNUSA-N 0 3 279.428 2.467 20 30 CEEDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000429794916 330555065 /nfs/dbraw/zinc/55/50/65/330555065.db2.gz XYBHRPKYCVXKCU-CABCVRRESA-N 0 3 290.794 2.196 20 30 CEEDHN N#C[C@@H](c1ccccc1)N1CCN(CC[C@H]2CCOC2)CC1 ZINC000437582441 330703813 /nfs/dbraw/zinc/70/38/13/330703813.db2.gz QQADVGGUQOYWAH-WMZOPIPTSA-N 0 3 299.418 2.295 20 30 CEEDHN CCOC(=O)c1csc(CCN[C@H]2CC[C@@H](C#N)C2)n1 ZINC000442862037 330788056 /nfs/dbraw/zinc/78/80/56/330788056.db2.gz VDQXIQLTHATIRB-MNOVXSKESA-N 0 3 293.392 2.144 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc2c(cc1OC)OCO2 ZINC000449548717 330935768 /nfs/dbraw/zinc/93/57/68/330935768.db2.gz PZDOTIAGAOGLJY-OLZOCXBDSA-N 0 3 291.347 2.247 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cc(C(=O)OC)c(CC)o1 ZINC000449700018 330944868 /nfs/dbraw/zinc/94/48/68/330944868.db2.gz RZNBGZHWGWYGGP-NSHDSACASA-N 0 3 281.352 2.045 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451362637 331025862 /nfs/dbraw/zinc/02/58/62/331025862.db2.gz RBZUBGJCDZRBBP-HPFXQQBRSA-N 0 3 286.419 2.331 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(=O)OC)c(F)c1 ZINC000451605399 331036277 /nfs/dbraw/zinc/03/62/77/331036277.db2.gz KCFZQGDFZHHQQB-KGLIPLIRSA-N 0 3 279.311 2.045 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc2c(c1)OC(F)(F)O2 ZINC000451616097 331037116 /nfs/dbraw/zinc/03/71/16/331037116.db2.gz YOLZLTMTNPEASL-MNOVXSKESA-N 0 3 283.274 2.441 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000451678963 331038720 /nfs/dbraw/zinc/03/87/20/331038720.db2.gz XZKBDNSFAJVMRG-MAZHCROVSA-N 0 3 292.423 2.099 20 30 CEEDHN CN(CC(C)(C)CO)C(=O)C(C#N)CCc1ccccc1 ZINC000452910480 331080300 /nfs/dbraw/zinc/08/03/00/331080300.db2.gz AGFPLVQTPZETHT-OAHLLOKOSA-N 0 3 288.391 2.236 20 30 CEEDHN C=CC(C)(C)CNC(=O)NCCN1CCCC[C@@H]1C ZINC000454307832 331143923 /nfs/dbraw/zinc/14/39/23/331143923.db2.gz WGZONYNWCQWTCW-ZDUSSCGKSA-N 0 3 267.417 2.372 20 30 CEEDHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000454612342 331149805 /nfs/dbraw/zinc/14/98/05/331149805.db2.gz SCPZKBHRUSJJFO-SOUVJXGZSA-N 0 3 294.443 2.344 20 30 CEEDHN C=C(CC)CNC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000454641563 331150296 /nfs/dbraw/zinc/15/02/96/331150296.db2.gz LKMNCVKNQVZNPY-KGLIPLIRSA-N 0 3 267.417 2.372 20 30 CEEDHN C=C(CC)CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000455517216 331171464 /nfs/dbraw/zinc/17/14/64/331171464.db2.gz DQTVJRYHCRXXQA-UHFFFAOYSA-N 0 3 297.443 2.141 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H](O)C1CCC1 ZINC000456849019 331207414 /nfs/dbraw/zinc/20/74/14/331207414.db2.gz APASSSMQNBVYEU-CVEARBPZSA-N 0 3 286.375 2.036 20 30 CEEDHN C=CCn1cccc1C(=O)NCCN1CCCC1(C)C ZINC000457051295 331211000 /nfs/dbraw/zinc/21/10/00/331211000.db2.gz HPOMNXQTPUXIBG-UHFFFAOYSA-N 0 3 275.396 2.278 20 30 CEEDHN C=CC[C@H](C)NC(=O)C1CN(C2CCCCC2)C1 ZINC000457579456 331227684 /nfs/dbraw/zinc/22/76/84/331227684.db2.gz RTEHQPJOHDOWCU-LBPRGKRZSA-N 0 3 250.386 2.332 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1CC ZINC000457621769 331229285 /nfs/dbraw/zinc/22/92/85/331229285.db2.gz VFGTYQGXDFKJMP-ARFHVFGLSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](F)C1)C(C)C ZINC000457744592 331233011 /nfs/dbraw/zinc/23/30/11/331233011.db2.gz KQUAUAUXFCCDQR-HUUCEWRRSA-N 0 3 297.418 2.438 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)NCC(C)(C)CC#N ZINC000458384698 331250465 /nfs/dbraw/zinc/25/04/65/331250465.db2.gz URDCJUODGGOMBS-ZDUSSCGKSA-N 0 3 280.416 2.100 20 30 CEEDHN C=CCCCCNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458651782 331255734 /nfs/dbraw/zinc/25/57/34/331255734.db2.gz AIPPNBOBQUTZSC-AWEZNQCLSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCCCCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458662905 331256382 /nfs/dbraw/zinc/25/63/82/331256382.db2.gz HDDMNQWCPJEKPT-AWEZNQCLSA-N 0 3 279.428 2.468 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000458968160 331263471 /nfs/dbraw/zinc/26/34/71/331263471.db2.gz AGLDEPYNRQZLCS-KBPBESRZSA-N 0 3 280.416 2.050 20 30 CEEDHN Cc1[nH]nc2ncc(CNCC(C)(C)CC#N)cc12 ZINC000459705210 331295174 /nfs/dbraw/zinc/29/51/74/331295174.db2.gz XWABTBJPDAFJBX-UHFFFAOYSA-N 0 3 257.341 2.296 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@H](C)Cc2cccc(F)c2)C1=O ZINC000459769735 331299783 /nfs/dbraw/zinc/29/97/83/331299783.db2.gz RWONBIFIHDRAMA-CJNGLKHVSA-N 0 3 290.382 2.475 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000489051098 332039605 /nfs/dbraw/zinc/03/96/05/332039605.db2.gz XELUDOVOSKBJLA-OLZOCXBDSA-N 0 3 273.380 2.029 20 30 CEEDHN C=C[C@@H]1CCCCN1C[C@H](O)COCc1ccco1 ZINC000489444769 332053104 /nfs/dbraw/zinc/05/31/04/332053104.db2.gz DHVYUMVWYZWJCZ-KGLIPLIRSA-N 0 3 265.353 2.198 20 30 CEEDHN C#CCN(CC)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000490555746 332091628 /nfs/dbraw/zinc/09/16/28/332091628.db2.gz JYJSFIWXNPBDSV-NVXWUHKLSA-N 0 3 299.418 2.487 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](C(C)C)C(F)(F)F)CC1 ZINC000490740266 332110810 /nfs/dbraw/zinc/11/08/10/332110810.db2.gz NMAVSXYFTLHZMY-LBPRGKRZSA-N 0 3 290.329 2.035 20 30 CEEDHN C#C[C@@H](NC(=O)NCc1ccc(CN(C)C)cc1)C(C)C ZINC000490950932 332132643 /nfs/dbraw/zinc/13/26/43/332132643.db2.gz VCWNVZVCHUAGMS-MRXNPFEDSA-N 0 3 287.407 2.205 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc2ncsc2c1 ZINC000491046647 332143098 /nfs/dbraw/zinc/14/30/98/332143098.db2.gz QXRJMRPSRCNXMF-MNOVXSKESA-N 0 3 287.388 2.085 20 30 CEEDHN C#C[C@@H](NC(=O)/C=C\CN(C)C)c1ccc(Cl)cc1F ZINC000491221521 332169034 /nfs/dbraw/zinc/16/90/34/332169034.db2.gz XKROSIORUPQSPZ-GEXIGZQTSA-N 0 3 294.757 2.387 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C(C)=C\C(C)(C)C ZINC000491268174 332178005 /nfs/dbraw/zinc/17/80/05/332178005.db2.gz YCIOXYCOEHVYRU-SEYXRHQNSA-N 0 3 250.386 2.050 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000491295869 332184018 /nfs/dbraw/zinc/18/40/18/332184018.db2.gz JKNGDPUCOVULLU-LBPRGKRZSA-N 0 3 291.222 2.032 20 30 CEEDHN C#C[C@@H](CC)N[C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000491404162 332205368 /nfs/dbraw/zinc/20/53/68/332205368.db2.gz AJZNYMVVZJYDTM-STQMWFEESA-N 0 3 274.364 2.414 20 30 CEEDHN C#C[C@H](C)N(C)C[C@H](O)COc1ccccc1Cl ZINC000491453400 332214464 /nfs/dbraw/zinc/21/44/64/332214464.db2.gz QXPKFPAYPFKJDB-RYUDHWBXSA-N 0 3 267.756 2.033 20 30 CEEDHN CC(C#N)C(=O)NCCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000491462878 332216212 /nfs/dbraw/zinc/21/62/12/332216212.db2.gz JQTJEBFXDBTMAL-LLVKDONJSA-N 0 3 295.383 2.052 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(CCC)CC(C)C ZINC000491505908 332224939 /nfs/dbraw/zinc/22/49/39/332224939.db2.gz NNEKCJDNVNEMIL-UHFFFAOYSA-N 0 3 267.417 2.019 20 30 CEEDHN C#CCN(C)CCCNC(=O)O[C@H](C)CC(C)C ZINC000491544045 332234143 /nfs/dbraw/zinc/23/41/43/332234143.db2.gz JUCNPYNQXCQJQT-CYBMUJFWSA-N 0 3 254.374 2.102 20 30 CEEDHN C#CCN1CCC(C(=O)NC2(C3CCC3)CCC2)CC1 ZINC000491620832 332246510 /nfs/dbraw/zinc/24/65/10/332246510.db2.gz FCAKBMINIJLPDL-UHFFFAOYSA-N 0 3 274.408 2.171 20 30 CEEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000491639069 332259425 /nfs/dbraw/zinc/25/94/25/332259425.db2.gz XVXZCUZLISIVAP-CYBMUJFWSA-N 0 3 273.380 2.035 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(CC)CCCCC1 ZINC000491646268 332263830 /nfs/dbraw/zinc/26/38/30/332263830.db2.gz SJMJHUCCLKDMCC-UHFFFAOYSA-N 0 3 264.413 2.418 20 30 CEEDHN C#C[C@@H](C)N(C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000491662141 332271820 /nfs/dbraw/zinc/27/18/20/332271820.db2.gz LOJGSBGJCZSSTQ-BXUZGUMPSA-N 0 3 251.757 2.197 20 30 CEEDHN C#C[C@@H](CC)NCc1ccc2c(c1)sc(=O)n2C ZINC000491683042 332285661 /nfs/dbraw/zinc/28/56/61/332285661.db2.gz WAGVZBCQFRUUHE-NSHDSACASA-N 0 3 260.362 2.101 20 30 CEEDHN C#C[C@@H](NC(=O)[C@H]1CCCN1CCC)c1ccc(F)cc1 ZINC000491688363 332286185 /nfs/dbraw/zinc/28/61/85/332286185.db2.gz AXLMXWGPRWJVDO-HZPDHXFCSA-N 0 3 288.366 2.491 20 30 CEEDHN C#C[C@@H](C)N(C)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000491731743 332313356 /nfs/dbraw/zinc/31/33/56/332313356.db2.gz BBHPVRYTEBEPLD-OLZOCXBDSA-N 0 3 275.348 2.080 20 30 CEEDHN C#C[C@@H](C)N(C)Cc1ccc(COCCOC)cc1 ZINC000491809450 332362344 /nfs/dbraw/zinc/36/23/44/332362344.db2.gz GNACGDKLZUBORO-CQSZACIVSA-N 0 3 261.365 2.303 20 30 CEEDHN C#C[C@H](CC)N[C@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000491810064 332362814 /nfs/dbraw/zinc/36/28/14/332362814.db2.gz ZSVFVPBAIMYUFM-CHWSQXEVSA-N 0 3 274.364 2.414 20 30 CEEDHN Cc1nc(NC(=O)/C=C/CN(C)C)sc1SCC#N ZINC000491882755 332373529 /nfs/dbraw/zinc/37/35/29/332373529.db2.gz JLIAPLWSESSUDO-SNAWJCMRSA-N 0 3 296.421 2.124 20 30 CEEDHN C[C@H](CCNC(=O)OC(C)(C)C)NC[C@H](C#N)CCC#N ZINC000496265103 332544315 /nfs/dbraw/zinc/54/43/15/332544315.db2.gz QHADFJCLHTYXBF-OLZOCXBDSA-N 0 3 294.399 2.323 20 30 CEEDHN C=CCC[C@@H](O)CN(C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000177507915 333060052 /nfs/dbraw/zinc/06/00/52/333060052.db2.gz ITVOQORASDRMFD-QWHCGFSZSA-N 0 3 286.416 2.159 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc2c(c1)CCC2 ZINC000516848828 333084183 /nfs/dbraw/zinc/08/41/83/333084183.db2.gz RUMSEKQIPAFTGM-CVEARBPZSA-N 0 3 286.375 2.047 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C)[C@H](OC)C1 ZINC000189368908 333191334 /nfs/dbraw/zinc/19/13/34/333191334.db2.gz SQMOLJSFSARZIS-SOUVJXGZSA-N 0 3 282.428 2.156 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCSC[C@H](C)C1 ZINC000190423465 333206756 /nfs/dbraw/zinc/20/67/56/333206756.db2.gz BNILZOPLVHZMIY-CYBMUJFWSA-N 0 3 270.442 2.096 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](CC)c1ccc(C)cc1 ZINC000192586444 333236546 /nfs/dbraw/zinc/23/65/46/333236546.db2.gz OCQPTXWGNIPHJL-DZGCQCFKSA-N 0 3 258.365 2.174 20 30 CEEDHN C#CCN(C(=O)C1CCN(C2CC2)CC1)C1CCCC1 ZINC000192709371 333238009 /nfs/dbraw/zinc/23/80/09/333238009.db2.gz NHRADUNRGGMWDU-UHFFFAOYSA-N 0 3 274.408 2.265 20 30 CEEDHN C#CCCCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000229557874 333306185 /nfs/dbraw/zinc/30/61/85/333306185.db2.gz QSWPVQDTXRQJNB-ZDUSSCGKSA-N 0 3 281.352 2.047 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2[C@H](C)[C@@H]2C2CC2)CC1 ZINC000528451360 333438849 /nfs/dbraw/zinc/43/88/49/333438849.db2.gz XOWBHTFXWRCPBK-KCPJHIHWSA-N 0 3 262.397 2.045 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000135010947 334112126 /nfs/dbraw/zinc/11/21/26/334112126.db2.gz GCAOLTOUMPPBCS-UKRRQHHQSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000135089874 334115001 /nfs/dbraw/zinc/11/50/01/334115001.db2.gz RDTXIOMNWNOIGF-VNHYZAJKSA-N 0 3 250.386 2.284 20 30 CEEDHN COC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000548755985 334169966 /nfs/dbraw/zinc/16/99/66/334169966.db2.gz XMHLXGROLGRBNL-HZPDHXFCSA-N 0 3 299.374 2.028 20 30 CEEDHN CC(C#N)C(=O)NC(C)(C)COCc1ccccc1 ZINC000337529205 334237970 /nfs/dbraw/zinc/23/79/70/334237970.db2.gz CVVXHJKNVWCUGQ-GFCCVEGCSA-N 0 3 260.337 2.258 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCS[C@@H](C)CC1 ZINC000248950192 334322518 /nfs/dbraw/zinc/32/25/18/334322518.db2.gz AZGMBBZCMDMVKF-UONOGXRCSA-N 0 3 282.453 2.403 20 30 CEEDHN N#CCC1(CNC[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000564864323 334525052 /nfs/dbraw/zinc/52/50/52/334525052.db2.gz NJRDZQRPOBYQFQ-AWEZNQCLSA-N 0 3 262.328 2.013 20 30 CEEDHN C=CCN(C(=O)[C@@H](C)NC)c1nc2c(s1)CCCC2 ZINC000565489994 334568537 /nfs/dbraw/zinc/56/85/37/334568537.db2.gz DHSONEFQXDTOBV-SNVBAGLBSA-N 0 3 279.409 2.149 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)Nc1cccc2c1CCNC2 ZINC000566100467 334622367 /nfs/dbraw/zinc/62/23/67/334622367.db2.gz ZOKDZNRSNNCTSR-LBPRGKRZSA-N 0 3 274.364 2.252 20 30 CEEDHN C[C@H](CCC#N)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000568637577 334834063 /nfs/dbraw/zinc/83/40/63/334834063.db2.gz RVRZHSYHJNFNMB-CYBMUJFWSA-N 0 3 287.411 2.486 20 30 CEEDHN CCOC(=O)CCN(C)Cc1ccc(CC#N)cc1 ZINC000343520330 335206641 /nfs/dbraw/zinc/20/66/41/335206641.db2.gz DSUHAXKUENYTHW-UHFFFAOYSA-N 0 3 260.337 2.138 20 30 CEEDHN C[C@H](O)C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000343532315 335207383 /nfs/dbraw/zinc/20/73/83/335207383.db2.gz PPSUBMTUIXOJOT-ZDUSSCGKSA-N 0 3 258.365 2.345 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)N1CCC(CC#N)CC1 ZINC000577433909 335351933 /nfs/dbraw/zinc/35/19/33/335351933.db2.gz BTRRCRIWXWVWEL-HNNXBMFYSA-N 0 3 292.427 2.196 20 30 CEEDHN C=C[C@@H](CC(=O)N1CCCNCC1)c1ccccc1 ZINC000580835452 335973175 /nfs/dbraw/zinc/97/31/75/335973175.db2.gz HFRIJVIQRXZJNK-AWEZNQCLSA-N 0 3 258.365 2.168 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)C(C#N)CCc2ccccc2)CO1 ZINC000581609976 336111986 /nfs/dbraw/zinc/11/19/86/336111986.db2.gz VWOIRDRTLNLMKE-YUELXQCFSA-N 0 3 272.348 2.053 20 30 CEEDHN C=CCn1c(CC)nnc1N1CCN(C2CCCC2)CC1 ZINC000581654670 336118679 /nfs/dbraw/zinc/11/86/79/336118679.db2.gz OEAPUDRKIDHSLD-UHFFFAOYSA-N 0 3 289.427 2.091 20 30 CEEDHN CC#CCCN1CCC(C(=O)Nc2cccnc2)CC1 ZINC000373423147 500583398 /nfs/dbraw/zinc/58/33/98/500583398.db2.gz RVFSRVHUBCDEEP-UHFFFAOYSA-N 0 3 271.364 2.146 20 30 CEEDHN N#CCc1ccc(NC(=O)N2CCCNCC2)c(Cl)c1 ZINC000334876387 534723748 /nfs/dbraw/zinc/72/37/48/534723748.db2.gz XRJZTAQNDLDLAJ-UHFFFAOYSA-N 0 3 292.770 2.233 20 30 CEEDHN COC(=O)[C@@H]1CN(Cc2ccc(C#N)cc2)CC1(C)C ZINC000366688668 523748451 /nfs/dbraw/zinc/74/84/51/523748451.db2.gz XIQXCZINTNOIKW-AWEZNQCLSA-N 0 3 272.348 2.189 20 30 CEEDHN Cc1ccc(C(=O)N2CC[C@]3(CCN(C)C3)C2)cc1C#N ZINC000366557404 526131663 /nfs/dbraw/zinc/13/16/63/526131663.db2.gz IPSWIIULAHQKPP-KRWDZBQOSA-N 0 3 283.375 2.035 20 30 CEEDHN C=C(C)CN(C)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000352131286 526486845 /nfs/dbraw/zinc/48/68/45/526486845.db2.gz AYDZVQDDTUHJSJ-KBPBESRZSA-N 0 3 267.417 2.467 20 30 CEEDHN N#CC(C(=O)c1cccc2c1OCCO2)c1ccccn1 ZINC000067798256 526509276 /nfs/dbraw/zinc/50/92/76/526509276.db2.gz IWJXRVJMXRYVCS-LBPRGKRZSA-N 0 3 280.283 2.343 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CSC[C@H]2C)CC1 ZINC000344829248 526596283 /nfs/dbraw/zinc/59/62/83/526596283.db2.gz NNDJHHZHHBXOPG-OCCSQVGLSA-N 0 3 297.468 2.078 20 30 CEEDHN C=CCOCCCN(C)C[C@@H]1COc2ccccc2O1 ZINC000347958890 526745242 /nfs/dbraw/zinc/74/52/42/526745242.db2.gz CZRVOJXJMVNIBM-CQSZACIVSA-N 0 3 277.364 2.351 20 30 CEEDHN C=CCOCCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000347976058 526755519 /nfs/dbraw/zinc/75/55/19/526755519.db2.gz XYAOHKGHSLRTMO-UHFFFAOYSA-N 0 3 299.418 2.269 20 30 CEEDHN C=CCOCCCN1CCN(c2cccc(O)c2)CC1 ZINC000347960260 526757298 /nfs/dbraw/zinc/75/72/98/526757298.db2.gz FOWNAPPMIUPVET-UHFFFAOYSA-N 0 3 276.380 2.107 20 30 CEEDHN C=CC1CCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000336491363 526962300 /nfs/dbraw/zinc/96/23/00/526962300.db2.gz VBWQEEODZRYXRN-CHWSQXEVSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CC[C@@H](CO)CN[C@@H](c1ccccc1)c1cncnc1 ZINC000349771760 527082278 /nfs/dbraw/zinc/08/22/78/527082278.db2.gz ABLHUXIKMPBEFH-PBHICJAKSA-N 0 3 283.375 2.340 20 30 CEEDHN C#CCOc1ccc(CN[C@H](C)[C@H]2CCCO2)cc1 ZINC000113321114 527106072 /nfs/dbraw/zinc/10/60/72/527106072.db2.gz GEFNLMFVPUQOKE-CZUORRHYSA-N 0 3 259.349 2.356 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000347637655 527152176 /nfs/dbraw/zinc/15/21/76/527152176.db2.gz UHVNYURPCDHPRX-KGLIPLIRSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000347285428 527397449 /nfs/dbraw/zinc/39/74/49/527397449.db2.gz DIILMRFZJAFVNO-HIFRSBDPSA-N 0 3 280.412 2.101 20 30 CEEDHN C=CCN(CC=C)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000106341325 527619989 /nfs/dbraw/zinc/61/99/89/527619989.db2.gz SMRCNHNUPUTKNX-UHFFFAOYSA-N 0 3 277.412 2.411 20 30 CEEDHN CCO[C@@H](CCNC(=O)C(C)C#N)C1CCCC1 ZINC000352285936 527727858 /nfs/dbraw/zinc/72/78/58/527727858.db2.gz ODRASZQGDQESCA-YPMHNXCESA-N 0 3 252.358 2.248 20 30 CEEDHN CCN1CCC(N(C)c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000096523235 528974428 /nfs/dbraw/zinc/97/44/28/528974428.db2.gz CEFWTUREEKQHCR-UHFFFAOYSA-N 0 3 288.351 2.387 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)N[C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000329213888 529059638 /nfs/dbraw/zinc/05/96/38/529059638.db2.gz KETVCWFTABXTJT-DGAVXFQQSA-N 0 3 297.443 2.034 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)[C@@](C)(C#N)CC ZINC000352824281 529201134 /nfs/dbraw/zinc/20/11/34/529201134.db2.gz MJSFDRGMQJPOGT-DZGCQCFKSA-N 0 3 265.401 2.307 20 30 CEEDHN CCS[C@H]1CCC[C@H]1NCC(=O)N(CC)CCC#N ZINC000348472459 529231791 /nfs/dbraw/zinc/23/17/91/529231791.db2.gz YBQFWXWYVVJZCX-OLZOCXBDSA-N 0 3 283.441 2.012 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC2CC=CC2)CC1 ZINC000120594464 538857606 /nfs/dbraw/zinc/85/76/06/538857606.db2.gz GXZLGVZSXRRYLH-UHFFFAOYSA-N 0 3 263.385 2.045 20 30 CEEDHN C#Cc1cccc(NC(=S)NCCN2CCCC2)c1 ZINC000726444702 574426497 /nfs/dbraw/zinc/42/64/97/574426497.db2.gz YZIOOXZNMGLGKL-UHFFFAOYSA-N 0 3 273.405 2.050 20 30 CEEDHN C#Cc1cccc(NC(=S)NC[C@@H]2CCN(C3CC3)C2)c1 ZINC000726464642 574426724 /nfs/dbraw/zinc/42/67/24/574426724.db2.gz FXNOIPHZYKISNU-AWEZNQCLSA-N 0 3 299.443 2.439 20 30 CEEDHN C=CCSc1ccccc1NC(=O)CN[C@@H](CC)CO ZINC000727057747 574445207 /nfs/dbraw/zinc/44/52/07/574445207.db2.gz HBKJLZBPFUKKDP-LBPRGKRZSA-N 0 3 294.420 2.264 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)CCCC(C)(C)C ZINC000729070824 574477883 /nfs/dbraw/zinc/47/78/83/574477883.db2.gz ZCOKIGDZPUGUSP-LLVKDONJSA-N 0 3 250.342 2.214 20 30 CEEDHN C=CCN1CCC(NC(=O)CSCCCC)CC1 ZINC000729976935 574497595 /nfs/dbraw/zinc/49/75/95/574497595.db2.gz DRZPGJIBRIWMKV-UHFFFAOYSA-N 0 3 270.442 2.286 20 30 CEEDHN C#CCOCCN[C@@H](C)c1cc(F)ccc1OC ZINC000753767213 575341129 /nfs/dbraw/zinc/34/11/29/575341129.db2.gz JPFUOVQBCPYNGC-NSHDSACASA-N 0 3 251.301 2.135 20 30 CEEDHN N#CCOc1ccc(CN2CCC[C@H](CCO)C2)cc1 ZINC000733613433 574682939 /nfs/dbraw/zinc/68/29/39/574682939.db2.gz VJTDDPRWRIKLPS-CQSZACIVSA-N 0 3 274.364 2.183 20 30 CEEDHN C=C(Br)CNC(=O)[C@H](CC)N(CC)CC ZINC000735878756 574770193 /nfs/dbraw/zinc/77/01/93/574770193.db2.gz YRZXLDLTKIZXCF-JTQLQIEISA-N 0 3 277.206 2.132 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCOC2)c1 ZINC000740529468 574957978 /nfs/dbraw/zinc/95/79/78/574957978.db2.gz PUMQLFSJJFYRBW-GXTWGEPZSA-N 0 3 286.331 2.069 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CCC(C2CCCC2)CC1 ZINC000743855954 575111481 /nfs/dbraw/zinc/11/14/81/575111481.db2.gz DCQIONRMQXHNOL-CYBMUJFWSA-N 0 3 262.397 2.027 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000744032553 575112453 /nfs/dbraw/zinc/11/24/53/575112453.db2.gz GRXZGCDRQOMOLG-SIIHOXLZSA-N 0 3 296.370 2.124 20 30 CEEDHN Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)Nc2ccccn2)o1 ZINC000744039016 575112643 /nfs/dbraw/zinc/11/26/43/575112643.db2.gz HABMIZATSNMACR-NWDGAFQWSA-N 0 3 297.314 2.434 20 30 CEEDHN N#Cc1cccnc1N1CCCN(c2ccncc2)CC1 ZINC000746430598 575155983 /nfs/dbraw/zinc/15/59/83/575155983.db2.gz KGIHCZFVIAPUQP-UHFFFAOYSA-N 0 3 279.347 2.065 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2occc2Cl)C1 ZINC000970376028 612996015 /nfs/dbraw/zinc/99/60/15/612996015.db2.gz JTZIHYVHXWNWCZ-SNVBAGLBSA-N 0 3 280.755 2.006 20 30 CEEDHN C=CCCOCC[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823899146 607930482 /nfs/dbraw/zinc/93/04/82/607930482.db2.gz NMBANBGUHPBNRX-LBPRGKRZSA-N 0 3 287.367 2.110 20 30 CEEDHN C=CCCOCC[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823899146 607930483 /nfs/dbraw/zinc/93/04/83/607930483.db2.gz NMBANBGUHPBNRX-LBPRGKRZSA-N 0 3 287.367 2.110 20 30 CEEDHN C#CCCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823841010 608513708 /nfs/dbraw/zinc/51/37/08/608513708.db2.gz HNCDUDBQUKCWJW-OAHLLOKOSA-N 0 3 281.363 2.247 20 30 CEEDHN C#CCCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823841010 608513709 /nfs/dbraw/zinc/51/37/09/608513709.db2.gz HNCDUDBQUKCWJW-OAHLLOKOSA-N 0 3 281.363 2.247 20 30 CEEDHN C[C@@H](C#N)C(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC000980848478 617289358 /nfs/dbraw/zinc/28/93/58/617289358.db2.gz YHPQLPSHDSDKEE-AWEZNQCLSA-N 0 3 275.396 2.181 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C2(C)CCC(C)CC2)C1 ZINC000970832269 612960317 /nfs/dbraw/zinc/96/03/17/612960317.db2.gz BFQGBHVBSHCFDU-NPCAHTBFSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)CC(C)(C)c2ccccc2)C1 ZINC000970799385 612960374 /nfs/dbraw/zinc/96/03/74/612960374.db2.gz BCDSIBQTEIOLPG-MRXNPFEDSA-N 0 3 284.403 2.178 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2C)C1 ZINC000970170120 612961260 /nfs/dbraw/zinc/96/12/60/612961260.db2.gz WHJBURZNKXVQRD-JKSUJKDBSA-N 0 3 284.403 2.312 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000969559311 612965237 /nfs/dbraw/zinc/96/52/37/612965237.db2.gz AOHIWUHHSFIIAZ-CQSZACIVSA-N 0 3 295.386 2.222 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2csc3ccccc23)C1 ZINC000969503476 612967984 /nfs/dbraw/zinc/96/79/84/612967984.db2.gz AIGFBBBFKVSXQP-GFCCVEGCSA-N 0 3 284.384 2.339 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000969710477 612993921 /nfs/dbraw/zinc/99/39/21/612993921.db2.gz UNRQSZPKGGGXOE-PNBKFKSVSA-N 0 3 286.419 2.049 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC000970199383 612994439 /nfs/dbraw/zinc/99/44/39/612994439.db2.gz SYSXVZCSXTWPNM-FPCVCCKLSA-N 0 3 288.435 2.273 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCCC23CC3)C1 ZINC000969953233 612996417 /nfs/dbraw/zinc/99/64/17/612996417.db2.gz JQHCDFOFZOFRGY-ZFWWWQNUSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2c[nH]c3ccccc23)C1 ZINC000970080839 612997144 /nfs/dbraw/zinc/99/71/44/612997144.db2.gz YZPCHWCCDJSRRJ-ZDUSSCGKSA-N 0 3 295.386 2.241 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000981906554 613003800 /nfs/dbraw/zinc/00/38/00/613003800.db2.gz PYMAQZYTAJWGIQ-OAHLLOKOSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2c(C)coc2C)C1 ZINC000965991651 613013614 /nfs/dbraw/zinc/01/36/14/613013614.db2.gz VJJJNHUEPQOXHV-DOMZBBRYSA-N 0 3 288.391 2.360 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)CC2CCCC2)C(C)(C)C1 ZINC000972772710 613031365 /nfs/dbraw/zinc/03/13/65/613031365.db2.gz CYRBPYMDEQTODB-OAHLLOKOSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC000974724604 613031960 /nfs/dbraw/zinc/03/19/60/613031960.db2.gz VKPQXSJTQBXTQJ-UKRRQHHQSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C(C)(C)C1 ZINC000974860398 613032024 /nfs/dbraw/zinc/03/20/24/613032024.db2.gz DHAZOFUEOGRKRQ-BASYENTBSA-N 0 3 288.435 2.273 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C(C)(C)C1 ZINC000977327114 613032124 /nfs/dbraw/zinc/03/21/24/613032124.db2.gz NDAZDACAHQBHHQ-ARFHVFGLSA-N 0 3 288.435 2.273 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C(C2CC2)C2CC2)C(C)(C)C1 ZINC000977465357 613036947 /nfs/dbraw/zinc/03/69/47/613036947.db2.gz SUYISINBRACTBL-HNNXBMFYSA-N 0 3 288.435 2.273 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cocc2C)C(C)(C)C1 ZINC000974918482 613038966 /nfs/dbraw/zinc/03/89/66/613038966.db2.gz HOJANNFJQDFUAG-AWEZNQCLSA-N 0 3 274.364 2.052 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc(C)co2)CC1 ZINC000948697498 613162658 /nfs/dbraw/zinc/16/26/58/613162658.db2.gz NHDGXDZEOODONG-CQSZACIVSA-N 0 3 274.364 2.148 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccsc2)CC1 ZINC000948156403 613163287 /nfs/dbraw/zinc/16/32/87/613163287.db2.gz WUUYDJWSGUBABG-CQSZACIVSA-N 0 3 276.405 2.308 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc(F)cc2)CC1 ZINC000948146431 613163370 /nfs/dbraw/zinc/16/33/70/613163370.db2.gz YJCBUPROXKNJHC-MRXNPFEDSA-N 0 3 288.366 2.385 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H](C)C2CN(CC=C(C)C)C2)nc1 ZINC000970763220 613182677 /nfs/dbraw/zinc/18/26/77/613182677.db2.gz JSXJMMSFFZYTQN-AWEZNQCLSA-N 0 3 297.402 2.079 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H](C)C2CN(CC=C(C)C)C2)cn1 ZINC000970752498 613188002 /nfs/dbraw/zinc/18/80/02/613188002.db2.gz ANCAKGDJPBJVJU-CQSZACIVSA-N 0 3 297.402 2.079 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H](C)C2CN(CCCF)C2)cc1 ZINC000970257383 613188529 /nfs/dbraw/zinc/18/85/29/613188529.db2.gz WPGIKTCFGWOCTJ-CYBMUJFWSA-N 0 3 288.366 2.078 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C(F)=C2CCCC2)[C@@H](C)C1 ZINC000941953555 613222876 /nfs/dbraw/zinc/22/28/76/613222876.db2.gz YTXWYPJTDWDGKZ-GXTWGEPZSA-N 0 3 278.371 2.244 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C2CCC(F)(F)CC2)[C@H](C)C1 ZINC000942975737 613224173 /nfs/dbraw/zinc/22/41/73/613224173.db2.gz DEJWEIHWRQPEKF-TZMCWYRMSA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)CC2CC(F)(F)C2)C[C@H]1C ZINC000947458981 613225133 /nfs/dbraw/zinc/22/51/33/613225133.db2.gz JYLQNFTYPJSNTP-DGCLKSJQSA-N 0 3 284.350 2.024 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000944656401 613226628 /nfs/dbraw/zinc/22/66/28/613226628.db2.gz UIIICMVHDLLTKW-FUHWJXTLSA-N 0 3 298.430 2.306 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3ccccn3c2)C[C@@H]1C ZINC000947770717 613233739 /nfs/dbraw/zinc/23/37/39/613233739.db2.gz BPQOQGNPLAPGEJ-GOEBONIOSA-N 0 3 295.386 2.155 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(CF)cc2)C[C@H]1C ZINC000948078767 613235557 /nfs/dbraw/zinc/23/55/57/613235557.db2.gz NQIHCDDHLSRRDD-CZUORRHYSA-N 0 3 288.366 2.372 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(F)c(F)c2)C[C@H]1C ZINC000947386460 613235936 /nfs/dbraw/zinc/23/59/36/613235936.db2.gz INKSOXBIOYWYIQ-DGCLKSJQSA-N 0 3 292.329 2.181 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C)c2)C[C@@H]1C ZINC000947020821 613237027 /nfs/dbraw/zinc/23/70/27/613237027.db2.gz GJGGFMDNHQONIA-GOEBONIOSA-N 0 3 270.376 2.211 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccnc(CCC)c2)[C@H](C)C1 ZINC000942148696 613238531 /nfs/dbraw/zinc/23/85/31/613238531.db2.gz WWEWEVQUIYENMQ-RHSMWYFYSA-N 0 3 299.418 2.108 20 30 CEEDHN C=C(C)CCN1CCCN(C(=O)C2(F)CCOCC2)CC1 ZINC000981299109 613251184 /nfs/dbraw/zinc/25/11/84/613251184.db2.gz WSFBFRABXOGJEL-UHFFFAOYSA-N 0 3 298.402 2.006 20 30 CEEDHN C=C(C)CCN1CCCN(C(=O)C(C)(C)F)CC1 ZINC000980607957 613251458 /nfs/dbraw/zinc/25/14/58/613251458.db2.gz GDHAOSFFQRZHSQ-UHFFFAOYSA-N 0 3 256.365 2.235 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2CC3(CCC3)C2)[C@H](C)C1 ZINC000942560191 613257880 /nfs/dbraw/zinc/25/78/80/613257880.db2.gz MIGKHVOUSJPICV-HIFRSBDPSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cc(F)ccc2C)C[C@@H]1C ZINC000947579983 613266983 /nfs/dbraw/zinc/26/69/83/613266983.db2.gz HOHOYGMTRSNEIU-ZFWWWQNUSA-N 0 3 288.366 2.350 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cc[nH]c2CCC)C[C@H]1C ZINC000947638642 613267854 /nfs/dbraw/zinc/26/78/54/613267854.db2.gz GHZXLNVHTSMSPS-KGLIPLIRSA-N 0 3 287.407 2.183 20 30 CEEDHN C#CCN1C[C@]2(C)CN(C(=O)c3cc(C)[nH]c3C)C[C@]2(C)C1 ZINC000982590980 613293663 /nfs/dbraw/zinc/29/36/63/613293663.db2.gz OIWFMKNMWCBNQP-HDICACEKSA-N 0 3 299.418 2.049 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC000970962602 613299009 /nfs/dbraw/zinc/29/90/09/613299009.db2.gz XMXVJORSZGSZKU-LMSAACSQSA-N 0 3 288.435 2.291 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccnc2C)C1 ZINC000970349400 613300513 /nfs/dbraw/zinc/30/05/13/613300513.db2.gz YJGJJQTUKDXOEC-GFCCVEGCSA-N 0 3 273.380 2.016 20 30 CEEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2CC(C)C2)C1 ZINC000969478170 613301738 /nfs/dbraw/zinc/30/17/38/613301738.db2.gz AIBDRDRIQILZRU-CPCZMJQVSA-N 0 3 250.386 2.045 20 30 CEEDHN C=C(C)CN1CCCN(C(=O)Cc2cnccc2C)CC1 ZINC000981362394 613308849 /nfs/dbraw/zinc/30/88/49/613308849.db2.gz OGPDAKBYWZBZCL-UHFFFAOYSA-N 0 3 287.407 2.043 20 30 CEEDHN C=C(C)CN1CCCN(C(=O)C[C@H]2CC[C@@H](C)O2)CC1 ZINC000981875894 613308974 /nfs/dbraw/zinc/30/89/74/613308974.db2.gz DWFAXIYHZMILNL-HUUCEWRRSA-N 0 3 280.412 2.054 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)C2CC2)C(C)(C)C1 ZINC000973002245 613337842 /nfs/dbraw/zinc/33/78/42/613337842.db2.gz KFGACHMACRBQEP-GXTWGEPZSA-N 0 3 264.413 2.435 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccn(C)c2C)C(C)(C)C1 ZINC000975021920 613342158 /nfs/dbraw/zinc/34/21/58/613342158.db2.gz WLYKCZVBXVLHIP-HNNXBMFYSA-N 0 3 289.423 2.350 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2cncc(C)c2)C(C)(C)C1 ZINC000972993486 613342535 /nfs/dbraw/zinc/34/25/35/613342535.db2.gz XNDXQTUJIXJNOG-HNNXBMFYSA-N 0 3 287.407 2.406 20 30 CEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CC)C[C@@H]2C1 ZINC000979441050 613381652 /nfs/dbraw/zinc/38/16/52/613381652.db2.gz GEBDEFYJVAKMII-YNEHKIRRSA-N 0 3 270.804 2.366 20 30 CEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C3CC3)C[C@@H]2C1 ZINC000979476152 613381703 /nfs/dbraw/zinc/38/17/03/613381703.db2.gz BQHXHHNWPWNIBF-MJBXVCDLSA-N 0 3 282.815 2.366 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(C[C@@H](C)OC)CC2(C)C)C1 ZINC000975032438 613398569 /nfs/dbraw/zinc/39/85/69/613398569.db2.gz 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/nfs/dbraw/zinc/84/17/80/613841780.db2.gz JBHVKCDCLCHMSI-ZSHCYNCHSA-N 0 3 270.376 2.149 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(C)C)nc1 ZINC000960292368 613841923 /nfs/dbraw/zinc/84/19/23/613841923.db2.gz WIXPKRQFNSNNHD-FOLVSLTJSA-N 0 3 285.391 2.051 20 30 CEEDHN C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000980909885 613872153 /nfs/dbraw/zinc/87/21/53/613872153.db2.gz ACZKUWOJBOLRSL-QWHCGFSZSA-N 0 3 274.364 2.209 20 30 CEEDHN CC(=O)N[C@@H]1CCC[C@H](NCc2ccccc2C#N)C1 ZINC000980828904 613991149 /nfs/dbraw/zinc/99/11/49/613991149.db2.gz FRJWNXLLOYJZFX-JKSUJKDBSA-N 0 3 271.364 2.095 20 30 CEEDHN CCc1ccccc1CN1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000980847544 615687518 /nfs/dbraw/zinc/68/75/18/615687518.db2.gz FEPCLKZDNKMXPE-OAHLLOKOSA-N 0 3 299.418 2.443 20 30 CEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccnc1 ZINC001024292856 625506092 /nfs/dbraw/zinc/50/60/92/625506092.db2.gz LBQMRHLQRZLSMS-HNNXBMFYSA-N 0 3 273.380 2.242 20 30 CEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1CCCC1 ZINC001024298681 625509375 /nfs/dbraw/zinc/50/93/75/625509375.db2.gz COTFJDBIEGJISS-OAHLLOKOSA-N 0 3 262.397 2.171 20 30 CEEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)NCCCOC(C)C ZINC000892464674 625535979 /nfs/dbraw/zinc/53/59/79/625535979.db2.gz IPTAYRDHUFHCRP-CYBMUJFWSA-N 0 3 294.395 2.229 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCCOCC1 ZINC001024417042 625549507 /nfs/dbraw/zinc/54/95/07/625549507.db2.gz PHZCQFMSJDKMHC-JKSUJKDBSA-N 0 3 294.439 2.350 20 30 CEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(CC)ccn1 ZINC001024457997 625563870 /nfs/dbraw/zinc/56/38/70/625563870.db2.gz XDUNSAADTPQFES-MRXNPFEDSA-N 0 3 299.418 2.252 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(C)C)C1 ZINC001020850256 622901776 /nfs/dbraw/zinc/90/17/76/622901776.db2.gz AXQSROSSAZLVSH-FDYHWXHSSA-N 0 3 270.804 2.268 20 30 CEEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)C(C)(C)F)C1 ZINC001021500211 623235458 /nfs/dbraw/zinc/23/54/58/623235458.db2.gz UEKGLKHMBDANDK-KGLIPLIRSA-N 0 3 280.387 2.071 20 30 CEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC(C)(C)C)C1 ZINC001021511351 623241047 /nfs/dbraw/zinc/24/10/47/623241047.db2.gz ODJJCJSZDGWLFJ-HUUCEWRRSA-N 0 3 276.424 2.369 20 30 CEEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ccoc2)C1 ZINC001021520017 623246697 /nfs/dbraw/zinc/24/66/97/623246697.db2.gz TWLNDWVPTFSYAV-ZBFHGGJFSA-N 0 3 286.375 2.229 20 30 CEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C(\C)C2CC2)C1 ZINC001021528833 623253695 /nfs/dbraw/zinc/25/36/95/623253695.db2.gz IHQHEOGTHSVXMA-WJUDILCISA-N 0 3 286.419 2.289 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)/C=C\C2CC2)C1 ZINC001021551365 623279082 /nfs/dbraw/zinc/27/90/82/623279082.db2.gz RAAVIXPCEWWSFS-MGSINWNPSA-N 0 3 286.419 2.289 20 30 CEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000970924016 623324980 /nfs/dbraw/zinc/32/49/80/623324980.db2.gz LGZHIFNDRCVCEF-MRXNPFEDSA-N 0 3 283.375 2.001 20 30 CEEDHN COC(=O)C[C@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000177197846 625644597 /nfs/dbraw/zinc/64/45/97/625644597.db2.gz OMZNVJBDVNSIEV-UWVGGRQHSA-N 0 3 286.287 2.203 20 30 CEEDHN C#Cc1ccc(NC(=O)[C@@H]2CCCN2CCC)cc1 ZINC000891314534 623411777 /nfs/dbraw/zinc/41/17/77/623411777.db2.gz RKSXVNCAYOWEHP-HNNXBMFYSA-N 0 3 256.349 2.481 20 30 CEEDHN C[C@@H](C#N)C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC000971208945 623488619 /nfs/dbraw/zinc/48/86/19/623488619.db2.gz AZIDBGYEWKZJDN-WFASDCNBSA-N 0 3 289.354 2.018 20 30 CEEDHN CCN(CC)c1ccc(/C=[NH+]\CCCNC(C)=O)c([O-])c1 ZINC000255282763 623506512 /nfs/dbraw/zinc/50/65/12/623506512.db2.gz ZVMDXLVNGPUCOU-ATVHPVEESA-N 0 3 291.395 2.184 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001021814224 623517990 /nfs/dbraw/zinc/51/79/90/623517990.db2.gz SMJPUDAYTLWMBO-RWMBFGLXSA-N 0 3 268.788 2.332 20 30 CEEDHN C#CCC1(NCC(=O)Nc2cc(F)cc(F)c2)CCC1 ZINC000933301013 623625624 /nfs/dbraw/zinc/62/56/24/623625624.db2.gz IMPXTENTADPJAP-UHFFFAOYSA-N 0 3 278.302 2.439 20 30 CEEDHN C#CCC1(NCc2cc(C(=O)OC)oc2C)CCC1 ZINC000933302735 623630667 /nfs/dbraw/zinc/63/06/67/623630667.db2.gz WJJNZSFDBUZHSE-UHFFFAOYSA-N 0 3 261.321 2.410 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@H](C)CO2)c1 ZINC000892496066 625669434 /nfs/dbraw/zinc/66/94/34/625669434.db2.gz VKGNCVTXFYHXQS-MRVWCRGKSA-N 0 3 286.331 2.067 20 30 CEEDHN CO[C@@H]1CCOC[C@H]1NCc1ccccc1C(C)(C)C#N ZINC000934042084 624172186 /nfs/dbraw/zinc/17/21/86/624172186.db2.gz RFYUFGYVEFYBDI-HZPDHXFCSA-N 0 3 288.391 2.381 20 30 CEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cocc1C ZINC001024604511 625707481 /nfs/dbraw/zinc/70/74/81/625707481.db2.gz MXNXKSVYGQUADK-AWEZNQCLSA-N 0 3 274.364 2.196 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001022576660 624259359 /nfs/dbraw/zinc/25/93/59/624259359.db2.gz RUDKJCWWMXNARX-PNWMVKDVSA-N 0 3 268.788 2.022 20 30 CEEDHN Cc1cccc(CNC[C@H](O)c2ccc(C#N)cc2)n1 ZINC000051575938 624451255 /nfs/dbraw/zinc/45/12/55/624451255.db2.gz OVYIRSBPHRLXCV-INIZCTEOSA-N 0 3 267.332 2.085 20 30 CEEDHN C=CC[C@@H]1CCN1[C@H](C)C(=O)N1CCC(C)CC1 ZINC000934470156 624517356 /nfs/dbraw/zinc/51/73/56/624517356.db2.gz BKODZFOCGDUDCP-ZIAGYGMSSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CC[C@H]1CCN1C[C@H](O)COc1ccccc1F ZINC000934472398 624520731 /nfs/dbraw/zinc/52/07/31/624520731.db2.gz NHURBNONHHGMLT-STQMWFEESA-N 0 3 265.328 2.216 20 30 CEEDHN CSCC(C)(C)NCC(=O)Nc1cccc(C#N)c1 ZINC000934676164 624701403 /nfs/dbraw/zinc/70/14/03/624701403.db2.gz SZKJHEUYDRPBFH-UHFFFAOYSA-N 0 3 277.393 2.228 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ncoc2C2CC2)C1 ZINC001022932685 624763005 /nfs/dbraw/zinc/76/30/05/624763005.db2.gz BELAGTJYAWDVRV-PHIMTYICSA-N 0 3 295.770 2.155 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001023507553 625028075 /nfs/dbraw/zinc/02/80/75/625028075.db2.gz UVBQJQNHTWEHBJ-WCXIOVBPSA-N 0 3 288.435 2.274 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001023577451 625048082 /nfs/dbraw/zinc/04/80/82/625048082.db2.gz ULTLFQGPBUUTRZ-JFIYKMOQSA-N 0 3 288.435 2.418 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2csc(Cl)c2)C1 ZINC001023632494 625085698 /nfs/dbraw/zinc/08/56/98/625085698.db2.gz MACRWTCPBLQPRQ-NSHDSACASA-N 0 3 296.823 2.477 20 30 CEEDHN C=CCN1CCC[C@@H](CNC(=O)c2csc(Cl)n2)C1 ZINC001023689418 625123858 /nfs/dbraw/zinc/12/38/58/625123858.db2.gz GRIVPNDJKGYCKV-JTQLQIEISA-N 0 3 299.827 2.424 20 30 CEEDHN C=CCN1CCC(Nc2cccc([C@@H](C)O)n2)CC1 ZINC000892396183 625207354 /nfs/dbraw/zinc/20/73/54/625207354.db2.gz FYPXQNSCBHMKCT-GFCCVEGCSA-N 0 3 261.369 2.197 20 30 CEEDHN C#C[C@@H](NC(=O)N(CCC)[C@H]1CCN(C)C1)c1ccccc1 ZINC000820585243 634460417 /nfs/dbraw/zinc/46/04/17/634460417.db2.gz WBYXLFQCZDHILR-DLBZAZTESA-N 0 3 299.418 2.487 20 30 CEEDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2)[C@H]1OC ZINC000892521258 625892778 /nfs/dbraw/zinc/89/27/78/625892778.db2.gz OGCKVTPTMDQRPH-RAEVTNRLSA-N 0 3 274.364 2.401 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000820630717 634482658 /nfs/dbraw/zinc/48/26/58/634482658.db2.gz QRIGPRNHSTWBBF-AWEZNQCLSA-N 0 3 277.412 2.058 20 30 CEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccoc2C)C1 ZINC001025337035 627640734 /nfs/dbraw/zinc/64/07/34/627640734.db2.gz MYUHTDGKDGFOAB-JSGCOSHPSA-N 0 3 274.364 2.052 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C)n2)C1 ZINC001025343973 627647060 /nfs/dbraw/zinc/64/70/60/627647060.db2.gz LWRWAUWWVLRDHG-HZPDHXFCSA-N 0 3 299.418 2.244 20 30 CEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C)nc2)C1 ZINC001025344630 627648078 /nfs/dbraw/zinc/64/80/78/627648078.db2.gz RCUFSJJBNSWZCI-RDJZCZTQSA-N 0 3 299.418 2.244 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2oc(C)cc2C)C1 ZINC001025372129 627660797 /nfs/dbraw/zinc/66/07/97/627660797.db2.gz NATSFAVABZHPAF-HUUCEWRRSA-N 0 3 288.391 2.360 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cncc(C)c2)C1 ZINC001025373474 627663313 /nfs/dbraw/zinc/66/33/13/627663313.db2.gz BJIXAVSRXFYSJX-HZPDHXFCSA-N 0 3 299.418 2.244 20 30 CEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2CC(F)(F)C2)C1 ZINC001025376037 627664196 /nfs/dbraw/zinc/66/41/96/627664196.db2.gz UPGJHDSITZDCKB-OLZOCXBDSA-N 0 3 298.377 2.272 20 30 CEEDHN C=CC(C)(C)CCCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000892694335 627673692 /nfs/dbraw/zinc/67/36/92/627673692.db2.gz GVAURHZKBXRESB-QWHCGFSZSA-N 0 3 267.417 2.371 20 30 CEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001025431744 627690306 /nfs/dbraw/zinc/69/03/06/627690306.db2.gz BUJAUXMJXMXPKY-ZFWWWQNUSA-N 0 3 299.418 2.356 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccn2CC=C)C1 ZINC001025437879 627696065 /nfs/dbraw/zinc/69/60/65/627696065.db2.gz BTWALKGXSUOTSI-JKSUJKDBSA-N 0 3 299.418 2.138 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C)c(C)n2)C1 ZINC001025484831 627719246 /nfs/dbraw/zinc/71/92/46/627719246.db2.gz JXBMGLXAFVVRNI-JKSUJKDBSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2occc2CC)C1 ZINC001025527884 627735206 /nfs/dbraw/zinc/73/52/06/627735206.db2.gz NBAFWVSDNXMYOI-DZGCQCFKSA-N 0 3 288.391 2.306 20 30 CEEDHN C#CC[N@H+](C)CCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000328212079 627867029 /nfs/dbraw/zinc/86/70/29/627867029.db2.gz WTZNIDSXTRRMLV-UHFFFAOYSA-N 0 3 296.370 2.230 20 30 CEEDHN C#CC[N@@H+](C)CCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000328212079 627867034 /nfs/dbraw/zinc/86/70/34/627867034.db2.gz WTZNIDSXTRRMLV-UHFFFAOYSA-N 0 3 296.370 2.230 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[C@@H]1C ZINC001025802017 627887129 /nfs/dbraw/zinc/88/71/29/627887129.db2.gz KANQYWQLNQJQMP-OJKRMQCYSA-N 0 3 262.397 2.045 20 30 CEEDHN C=C[C@@H](C(=O)N1CC[C@H](NCCF)C1)c1ccccc1 ZINC001019805127 627915265 /nfs/dbraw/zinc/91/52/65/627915265.db2.gz UDKNCOZCVYQEAP-LSDHHAIUSA-N 0 3 276.355 2.116 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccnn2C(C)C)C1 ZINC001020195187 627945100 /nfs/dbraw/zinc/94/51/00/627945100.db2.gz WPUXMKKNIVPISS-HAQNSBGRSA-N 0 3 296.802 2.067 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001026127871 628044205 /nfs/dbraw/zinc/04/42/05/628044205.db2.gz JDRXYUPSDZKUBF-SUJAAXHWSA-N 0 3 274.408 2.045 20 30 CEEDHN C(#Cc1ccccc1)CNC[C@@H]1COC2(CCCC2)O1 ZINC000893289875 628252351 /nfs/dbraw/zinc/25/23/51/628252351.db2.gz FKUCZDFORJCFDJ-MRXNPFEDSA-N 0 3 271.360 2.313 20 30 CEEDHN COc1cccc(NC(=O)C(C#N)C(=O)Cc2ccoc2)c1 ZINC000123598242 628387177 /nfs/dbraw/zinc/38/71/77/628387177.db2.gz MFSNPYKYWQTFLV-CQSZACIVSA-N 0 3 298.298 2.178 20 30 CEEDHN CC(C)C(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001026690380 628481570 /nfs/dbraw/zinc/48/15/70/628481570.db2.gz DCAOIOOPDMZGFN-CQSZACIVSA-N 0 3 285.391 2.152 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001008620183 628538623 /nfs/dbraw/zinc/53/86/23/628538623.db2.gz HBZVRPQCEBYPDI-AWEZNQCLSA-N 0 3 295.386 2.385 20 30 CEEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2cc(C)no2)C1 ZINC001006720629 628630401 /nfs/dbraw/zinc/63/04/01/628630401.db2.gz IBURHDZWWHUGPP-ZDUSSCGKSA-N 0 3 277.368 2.143 20 30 CEEDHN C[C@@H]1C[C@@H](CNCc2ccccc2C#N)CN1C(=O)C1CC1 ZINC000980271284 628770534 /nfs/dbraw/zinc/77/05/34/628770534.db2.gz ACTROVLJQSAFKX-KGLIPLIRSA-N 0 3 297.402 2.295 20 30 CEEDHN CC[C@]1(CO)CCCN1Cc1csc(C#N)c1 ZINC000893906764 629038024 /nfs/dbraw/zinc/03/80/24/629038024.db2.gz ARGNUWZYAQCUPE-CYBMUJFWSA-N 0 3 250.367 2.357 20 30 CEEDHN C#C[C@H](NCc1cccc(C(=O)N(C)C)c1)C(C)C ZINC000894387143 629419690 /nfs/dbraw/zinc/41/96/90/629419690.db2.gz IQFONRVBIMDYLA-HNNXBMFYSA-N 0 3 258.365 2.136 20 30 CEEDHN Cc1csc([C@H]2CCN(CCO[C@@H](C)C#N)C2)n1 ZINC000880010574 629447065 /nfs/dbraw/zinc/44/70/65/629447065.db2.gz BACJDNIAKKPTPW-RYUDHWBXSA-N 0 3 265.382 2.170 20 30 CEEDHN COc1ccc([C@@H](NCC(=O)NCCC#N)C(C)C)cc1 ZINC000795143274 629456823 /nfs/dbraw/zinc/45/68/23/629456823.db2.gz YGZWZSOULOAURQ-INIZCTEOSA-N 0 3 289.379 2.012 20 30 CEEDHN COC(=O)[C@H](CNCC#Cc1ccccc1)CC(C)C ZINC000894536950 629525132 /nfs/dbraw/zinc/52/51/32/629525132.db2.gz MFDFNSZQEYFBKQ-INIZCTEOSA-N 0 3 273.376 2.463 20 30 CEEDHN CN(C)CC#CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000894875876 629709863 /nfs/dbraw/zinc/70/98/63/629709863.db2.gz IUZMMONVBUTOMF-UHFFFAOYSA-N 0 3 284.319 2.120 20 30 CEEDHN CC[C@@H](C)CON=C1CCN(CCC(=O)OC)CC1 ZINC000793147173 629782256 /nfs/dbraw/zinc/78/22/56/629782256.db2.gz ZXOHKTCPMBDBCU-GFCCVEGCSA-N 0 3 270.373 2.064 20 30 CEEDHN C#CCCN[C@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000796500317 629922166 /nfs/dbraw/zinc/92/21/66/629922166.db2.gz PTKHBPDFVBPWHV-OAHLLOKOSA-N 0 3 263.312 2.217 20 30 CEEDHN C#CCC(C)(C)C(=O)NC[C@@H]1CCCCN1CC ZINC000185523551 629929428 /nfs/dbraw/zinc/92/94/28/629929428.db2.gz NITDLOSBLNHXHC-ZDUSSCGKSA-N 0 3 250.386 2.027 20 30 CEEDHN C[C@@H]1C[C@@H](c2ccccc2)N(CC(=O)NCCC#N)C1 ZINC000796621685 629948003 /nfs/dbraw/zinc/94/80/03/629948003.db2.gz USRICXYVQNFSKX-HIFRSBDPSA-N 0 3 271.364 2.099 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000796632080 629948975 /nfs/dbraw/zinc/94/89/75/629948975.db2.gz VYDZBWRIJRCLPW-CABCVRRESA-N 0 3 297.358 2.307 20 30 CEEDHN C=CCCCN(CC)CN1CC[C@H](CCOC)C1=O ZINC000902669998 634776663 /nfs/dbraw/zinc/77/66/63/634776663.db2.gz WMQKZCSQZGLOBH-CQSZACIVSA-N 0 3 268.401 2.117 20 30 CEEDHN C=CCCCN(CC)CN1C[C@@H]([C@H]2CCCO2)CC1=O ZINC000902669685 634776949 /nfs/dbraw/zinc/77/69/49/634776949.db2.gz QCVDOCRVNAGVLM-LSDHHAIUSA-N 0 3 280.412 2.260 20 30 CEEDHN C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895157309 629974310 /nfs/dbraw/zinc/97/43/10/629974310.db2.gz AFDZDGVHCVNIML-QMTHXVAHSA-N 0 3 298.333 2.256 20 30 CEEDHN O=C1[C@H]([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CCCN1[O-] ZINC000895161459 629978752 /nfs/dbraw/zinc/97/87/52/629978752.db2.gz RNYYXBZTAHSIGJ-OWCLPIDISA-N 0 3 288.391 2.368 20 30 CEEDHN C[C@@H](C[NH2+][C@@H]1CCCN([O-])C1=O)c1cccc(Cl)c1 ZINC000895162407 629982305 /nfs/dbraw/zinc/98/23/05/629982305.db2.gz YVSXHNAWCDGUPO-GXFFZTMASA-N 0 3 282.771 2.413 20 30 CEEDHN C=CCCC(C)(C)NCc1nc(Br)nn1C ZINC000895349847 630129713 /nfs/dbraw/zinc/12/97/13/630129713.db2.gz JQVZVCAOHJAERY-UHFFFAOYSA-N 0 3 287.205 2.412 20 30 CEEDHN C#CC1(O)CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000895382427 630152863 /nfs/dbraw/zinc/15/28/63/630152863.db2.gz FWGZZRZIKKEXFV-UHFFFAOYSA-N 0 3 285.387 2.360 20 30 CEEDHN C#CCCN(CCOC)C[C@@H]1C[C@@]1(C)Br ZINC000895471151 630209201 /nfs/dbraw/zinc/20/92/01/630209201.db2.gz JTWXFKQYPSQDTM-NWDGAFQWSA-N 0 3 274.202 2.132 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1 ZINC000797549066 630286663 /nfs/dbraw/zinc/28/66/63/630286663.db2.gz ULROASXSJGAETM-REBRKWNGSA-N 0 3 284.359 2.270 20 30 CEEDHN C#CC[C@@H](CCOC)NCc1ccc(OCC)o1 ZINC000895668522 630298998 /nfs/dbraw/zinc/29/89/98/630298998.db2.gz LEUAESAOSWXQIV-LBPRGKRZSA-N 0 3 251.326 2.196 20 30 CEEDHN C#CCC1(O)CCN(Cc2ccc(C)cc2OC)CC1 ZINC000895670825 630299787 /nfs/dbraw/zinc/29/97/87/630299787.db2.gz WFMQZSYYEPTTLO-UHFFFAOYSA-N 0 3 273.376 2.354 20 30 CEEDHN C[C@H]1[C@H](Nc2cc(Br)cnc2C#N)CCN1C ZINC000895736311 630326572 /nfs/dbraw/zinc/32/65/72/630326572.db2.gz KHHLKWHJKMWUOI-WCBMZHEXSA-N 0 3 295.184 2.220 20 30 CEEDHN N#Cc1ccc2ncc(CN3CC[C@@H]([C@@H]4CCCO4)C3)n2c1 ZINC000895843958 630367940 /nfs/dbraw/zinc/36/79/40/630367940.db2.gz KLZHJRFDYIFRLJ-ZBFHGGJFSA-N 0 3 296.374 2.207 20 30 CEEDHN N#Cc1cccc(CNC[C@H]2CC[C@@H](C(F)(F)F)O2)n1 ZINC000896280647 630518142 /nfs/dbraw/zinc/51/81/42/630518142.db2.gz PYLKLSFDTZLFFX-NEPJUHHUSA-N 0 3 285.269 2.153 20 30 CEEDHN C[C@@H](N[C@@H](C)Cc1cnccn1)c1cc(C#N)ccn1 ZINC000902779163 634824671 /nfs/dbraw/zinc/82/46/71/634824671.db2.gz POOWGWNWQHYJRV-NWDGAFQWSA-N 0 3 267.336 2.025 20 30 CEEDHN C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1cc(C#N)ccn1 ZINC000902783084 634827304 /nfs/dbraw/zinc/82/73/04/634827304.db2.gz WINJTYQEHBWBCY-ZYHUDNBSSA-N 0 3 298.312 2.240 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000798287868 630851743 /nfs/dbraw/zinc/85/17/43/630851743.db2.gz MHOBLJKEGQBESR-BFHYXJOUSA-N 0 3 288.322 2.163 20 30 CEEDHN C=C1CCC(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000896980261 630852954 /nfs/dbraw/zinc/85/29/54/630852954.db2.gz WHTLBPLMDIRCOL-INIZCTEOSA-N 0 3 292.423 2.102 20 30 CEEDHN C=CCCN1CCN(Cc2cccc(OC)c2)CC1 ZINC000798957916 630956388 /nfs/dbraw/zinc/95/63/88/630956388.db2.gz JMKFQIHUICPCCE-UHFFFAOYSA-N 0 3 260.381 2.389 20 30 CEEDHN CC#CCN(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000897169650 630972611 /nfs/dbraw/zinc/97/26/11/630972611.db2.gz RONVCJXLIDAUPV-UHFFFAOYSA-N 0 3 272.392 2.103 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NC[C@@H](O)c2c(F)cccc2F)C1 ZINC000799719958 631069936 /nfs/dbraw/zinc/06/99/36/631069936.db2.gz FJPCOKVEWMMSGB-GIPNMCIBSA-N 0 3 266.291 2.280 20 30 CEEDHN CCCCCCCC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000799743778 631074276 /nfs/dbraw/zinc/07/42/76/631074276.db2.gz AXAYMPJNENCAGS-UHFFFAOYSA-N 0 3 297.487 2.489 20 30 CEEDHN CCCCCCCS(=O)(=O)NCCN1CCC[C@@H]1C ZINC000799814678 631081522 /nfs/dbraw/zinc/08/15/22/631081522.db2.gz PGXMNBPVMINXAP-AWEZNQCLSA-N 0 3 290.473 2.361 20 30 CEEDHN CC#CC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000801191864 631232693 /nfs/dbraw/zinc/23/26/93/631232693.db2.gz FTIOGLDCEZQOQM-INIZCTEOSA-N 0 3 270.376 2.133 20 30 CEEDHN N#Cc1ccc2ncc(CNC3([C@H]4CCCCO4)CC3)n2c1 ZINC000897386755 631268930 /nfs/dbraw/zinc/26/89/30/631268930.db2.gz GJXMMSHJPZSSOS-OAHLLOKOSA-N 0 3 296.374 2.397 20 30 CEEDHN Cc1occc1CNCCNc1ccc(C#N)cn1 ZINC000897396704 631282446 /nfs/dbraw/zinc/28/24/46/631282446.db2.gz OJVRFEVSKRMKCP-UHFFFAOYSA-N 0 3 256.309 2.056 20 30 CEEDHN Cc1nn(C(C)C)cc1CNCCNc1ccc(C#N)cn1 ZINC000897396787 631282538 /nfs/dbraw/zinc/28/25/38/631282538.db2.gz RGRVYEOMZJTLFG-UHFFFAOYSA-N 0 3 298.394 2.241 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC(OC2CCCC2)CC1 ZINC000801914817 631352349 /nfs/dbraw/zinc/35/23/49/631352349.db2.gz GRYNJQUIRTXYJB-ZDUSSCGKSA-N 0 3 266.385 2.339 20 30 CEEDHN CC(C)CCOC1CCN(CCO[C@H](C)C#N)CC1 ZINC000801915034 631353315 /nfs/dbraw/zinc/35/33/15/631353315.db2.gz NGFAOKMTSSIKQQ-CQSZACIVSA-N 0 3 268.401 2.442 20 30 CEEDHN COc1ccccc1C(C)(C)NCCO[C@@H](C)C#N ZINC000801932406 631358761 /nfs/dbraw/zinc/35/87/61/631358761.db2.gz LSOCOZSTPMFNFR-LBPRGKRZSA-N 0 3 262.353 2.449 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CC2CCCCC2)C1 ZINC000987969577 631473902 /nfs/dbraw/zinc/47/39/02/631473902.db2.gz JTYWYJKFMZSMAU-ZFWWWQNUSA-N 0 3 262.397 2.169 20 30 CEEDHN C=CCCC(=O)COC(=O)CC[C@@H]1CCCCN1C ZINC000803855683 631618183 /nfs/dbraw/zinc/61/81/83/631618183.db2.gz JCGQQBADZPSPDS-ZDUSSCGKSA-N 0 3 267.369 2.329 20 30 CEEDHN C=CCN1CCN(CN2CC[C@H](C(C)(C)C)C2)C1=O ZINC000840045903 631681503 /nfs/dbraw/zinc/68/15/03/631681503.db2.gz JPTYIUTYSFKMHL-ZDUSSCGKSA-N 0 3 265.401 2.236 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc3scnc32)C1 ZINC000988839671 631699974 /nfs/dbraw/zinc/69/99/74/631699974.db2.gz UZFCZJYSJUCPEO-RYUDHWBXSA-N 0 3 299.399 2.122 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC000988857417 631702471 /nfs/dbraw/zinc/70/24/71/631702471.db2.gz WXBGTXNQKHKTJU-UKRRQHHQSA-N 0 3 299.418 2.205 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(F)ccc2CC)C1 ZINC000989096151 631723125 /nfs/dbraw/zinc/72/31/25/631723125.db2.gz VXBWHIZMCLQPGJ-SWLSCSKDSA-N 0 3 288.366 2.214 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cn(C)c3ccccc23)C1 ZINC000989135032 631732612 /nfs/dbraw/zinc/73/26/12/631732612.db2.gz BUZVYHKCVDLTLM-KBPBESRZSA-N 0 3 295.386 2.004 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2cccc(C3CC3)c2)C1 ZINC000989231414 631752985 /nfs/dbraw/zinc/75/29/85/631752985.db2.gz RPAUNHPGUCJFSQ-KBXCAEBGSA-N 0 3 296.414 2.319 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)CCN1C ZINC000925311066 631770349 /nfs/dbraw/zinc/77/03/49/631770349.db2.gz CJAHPGVZEVBOEA-NOZJJQNGSA-N 0 3 292.770 2.426 20 30 CEEDHN C=CCc1cc(CN2CC[C@H]2COC)c(O)c(OC)c1 ZINC000840083453 631806772 /nfs/dbraw/zinc/80/67/72/631806772.db2.gz OXQNVKCKVOCODG-AWEZNQCLSA-N 0 3 277.364 2.350 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)c(C)c2)C1 ZINC000989404939 631816992 /nfs/dbraw/zinc/81/69/92/631816992.db2.gz HWEDDKQMSWKDSD-TZMCWYRMSA-N 0 3 290.794 2.474 20 30 CEEDHN C=C1CCC(C(=O)N2C[C@H](NCCF)C[C@@H]2C)CC1 ZINC000989409115 631818577 /nfs/dbraw/zinc/81/85/77/631818577.db2.gz WXCONCIOTTZQPK-GXTWGEPZSA-N 0 3 268.376 2.281 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000925319338 631883173 /nfs/dbraw/zinc/88/31/73/631883173.db2.gz RSZCJWDJVNGDDN-GOEBONIOSA-N 0 3 287.407 2.477 20 30 CEEDHN N#C[C@H]1CC[C@H](N[C@H]2c3ccccc3OC[C@H]2CO)C1 ZINC000897948205 631987351 /nfs/dbraw/zinc/98/73/51/631987351.db2.gz ZQPSQCQWTNYIFB-RSUWNVLCSA-N 0 3 272.348 2.010 20 30 CEEDHN C[C@H]1CCCN1CCNC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000898038356 632031955 /nfs/dbraw/zinc/03/19/55/632031955.db2.gz KRZKLYWMONEOGB-GIOUXUJVSA-N 0 3 289.423 2.307 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H](C)C2CCCC2)CC1 ZINC000989456848 632096435 /nfs/dbraw/zinc/09/64/35/632096435.db2.gz GEYYXSPLUJPJQI-OAHLLOKOSA-N 0 3 276.424 2.370 20 30 CEEDHN C#Cc1ccc(CNCc2ccc(C(=O)NC)cc2)cc1 ZINC000809605089 632108210 /nfs/dbraw/zinc/10/82/10/632108210.db2.gz ZYGUELSNJHNDHF-UHFFFAOYSA-N 0 3 278.355 2.317 20 30 CEEDHN CC1(C)OCC(N[C@H]2CCc3ccc(C#N)cc32)CO1 ZINC000810236720 632196479 /nfs/dbraw/zinc/19/64/79/632196479.db2.gz LVWVIBXPARYCFC-HNNXBMFYSA-N 0 3 272.348 2.287 20 30 CEEDHN N#CC(C(=O)CCCCC(N)=O)c1ccc2ccccc2n1 ZINC000810520766 632221466 /nfs/dbraw/zinc/22/14/66/632221466.db2.gz IWFIWIALHGKDNF-CYBMUJFWSA-N 0 3 295.342 2.457 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2sc(C)cc2C)C1 ZINC000989737601 632234132 /nfs/dbraw/zinc/23/41/32/632234132.db2.gz ZRLRVVOETNVVMB-JSGCOSHPSA-N 0 3 290.432 2.120 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2sc(C)cc2C)C1 ZINC000989737603 632234860 /nfs/dbraw/zinc/23/48/60/632234860.db2.gz ZRLRVVOETNVVMB-TZMCWYRMSA-N 0 3 290.432 2.120 20 30 CEEDHN C#CCCN1CCCN(C(=O)c2cccc3c2CCC3)CC1 ZINC000989775389 632241226 /nfs/dbraw/zinc/24/12/26/632241226.db2.gz VBANOFJJMZESHC-UHFFFAOYSA-N 0 3 296.414 2.347 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)Cc3ccsc3)CCC[C@@H]12 ZINC000989927478 632283962 /nfs/dbraw/zinc/28/39/62/632283962.db2.gz AECOEJRLMRQKOF-GDBMZVCRSA-N 0 3 288.416 2.037 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H]3CC=CCC3)CCC[C@H]12 ZINC000989945705 632286318 /nfs/dbraw/zinc/28/63/18/632286318.db2.gz PPQAYMZHFWXUMT-SOLBZPMBSA-N 0 3 286.419 2.479 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)CC3CCC3)CCC[C@H]12 ZINC000990135576 632318736 /nfs/dbraw/zinc/31/87/36/632318736.db2.gz NOWBBHIMBHVNAY-DOTOQJQBSA-N 0 3 274.408 2.313 20 30 CEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3ocnc3C)CCC[C@@H]12 ZINC000990134399 632318838 /nfs/dbraw/zinc/31/88/38/632318838.db2.gz KOMCGCIJFPUJCV-CZUORRHYSA-N 0 3 289.379 2.286 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)C3CC(C)C3)CCC[C@@H]12 ZINC000990176020 632324199 /nfs/dbraw/zinc/32/41/99/632324199.db2.gz MCRVMFASFYDHGG-MNSOJDNVSA-N 0 3 262.397 2.332 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)n3cccc3)CCC[C@H]12 ZINC000990238297 632329500 /nfs/dbraw/zinc/32/95/00/632329500.db2.gz RGNNNNZCWQCEJW-HLLBOEOZSA-N 0 3 287.407 2.348 20 30 CEEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1cnn(C)n1)C(C)C ZINC000924642739 632383143 /nfs/dbraw/zinc/38/31/43/632383143.db2.gz JEACZBGIHBZSLU-GDBMZVCRSA-N 0 3 291.443 2.164 20 30 CEEDHN N#CCN1CCC(NCc2ccnc(Cl)c2Cl)CC1 ZINC000811478574 632389593 /nfs/dbraw/zinc/38/95/93/632389593.db2.gz MIANSXYTRDCZSU-UHFFFAOYSA-N 0 3 299.205 2.466 20 30 CEEDHN C=CCCC[C@@H](C)N1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000924651867 632395807 /nfs/dbraw/zinc/39/58/07/632395807.db2.gz YJPFOPSWWODXAG-KGLIPLIRSA-N 0 3 293.411 2.138 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C(C)=C3CCC3)CCC[C@H]12 ZINC000990638721 632409667 /nfs/dbraw/zinc/40/96/67/632409667.db2.gz OEKYLGBZHRHZDT-DOTOQJQBSA-N 0 3 272.392 2.233 20 30 CEEDHN C#CC[C@H]1CCCN(CN2C(=O)C(C)(C)[C@@H]2C2CC2)C1 ZINC000842629197 632482240 /nfs/dbraw/zinc/48/22/40/632482240.db2.gz LDSRPWQHQAKQNN-ZFWWWQNUSA-N 0 3 274.408 2.326 20 30 CEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCCC#N ZINC000813059800 632612590 /nfs/dbraw/zinc/61/25/90/632612590.db2.gz IFYIIVHCJJUJSI-LBPRGKRZSA-N 0 3 299.330 2.427 20 30 CEEDHN C=CCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813109359 632626201 /nfs/dbraw/zinc/62/62/01/632626201.db2.gz JCIWGYCFASVJHD-JTQLQIEISA-N 0 3 295.291 2.082 20 30 CEEDHN C=CCOc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113913 632628565 /nfs/dbraw/zinc/62/85/65/632628565.db2.gz WARDYBFWTUVRJG-JTQLQIEISA-N 0 3 265.265 2.073 20 30 CEEDHN Cc1noc(C)c1[C@H](C)NCCNc1ccc(C#N)cn1 ZINC000927168355 632700578 /nfs/dbraw/zinc/70/05/78/632700578.db2.gz RWACXTDQQXBNGZ-JTQLQIEISA-N 0 3 285.351 2.321 20 30 CEEDHN CC1/C(=C/c2cnn(C3CCC3)c2)C(=O)c2ncnn21 ZINC000899381731 632822389 /nfs/dbraw/zinc/82/23/89/632822389.db2.gz SCTWCEYGONMJJT-IWKZGAEBSA-N 0 3 269.308 2.041 20 30 CEEDHN C=CCOCCN(Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000815007881 632949408 /nfs/dbraw/zinc/94/94/08/632949408.db2.gz ZRIPDOQHXNQQHK-UHFFFAOYSA-N 0 3 288.391 2.213 20 30 CEEDHN C#CCNC(=O)CN1CC[C@H](c2ccccc2)C1(C)C ZINC000817296701 633622988 /nfs/dbraw/zinc/62/29/88/633622988.db2.gz JXLXKLLZPWAHRZ-OAHLLOKOSA-N 0 3 270.376 2.004 20 30 CEEDHN CC[C@@H](O)CNN=C1CCCCc2ccc(N)cc21 ZINC000817329165 633629389 /nfs/dbraw/zinc/62/93/89/633629389.db2.gz SSNVWIYZOCOGLG-CYBMUJFWSA-N 0 3 261.369 2.060 20 30 CEEDHN CC[C@H](C#N)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900472618 633735799 /nfs/dbraw/zinc/73/57/99/633735799.db2.gz WHLRPPKLYBKVTR-GFCCVEGCSA-N 0 3 270.336 2.323 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC000818599408 633956196 /nfs/dbraw/zinc/95/61/96/633956196.db2.gz OZCALUTZDCHWHR-CQSZACIVSA-N 0 3 290.382 2.076 20 30 CEEDHN C[C@H](N[C@H](CO)CC1CCC1)c1cc(C#N)ccn1 ZINC000902976863 634916702 /nfs/dbraw/zinc/91/67/02/634916702.db2.gz VTFBRUHZZUXDRP-FZMZJTMJSA-N 0 3 259.353 2.155 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cn(CCC)nn1 ZINC000902979681 634917451 /nfs/dbraw/zinc/91/74/51/634917451.db2.gz VEQXBWKAPNFEKJ-IPYPFGDCSA-N 0 3 278.400 2.320 20 30 CEEDHN CC[C@H](N[C@H](C)C(=O)NCCF)c1cccc(C#N)c1 ZINC000902981101 634918157 /nfs/dbraw/zinc/91/81/57/634918157.db2.gz HRVUENKJADRTLZ-RISCZKNCSA-N 0 3 277.343 2.073 20 30 CEEDHN CC[C@H](N[C@@H]1COC[C@@H]1OC)c1cccc(C#N)c1 ZINC000903016673 634926353 /nfs/dbraw/zinc/92/63/53/634926353.db2.gz GZPBOUBMKXHUBP-ZNMIVQPWSA-N 0 3 260.337 2.013 20 30 CEEDHN C[C@H](N[C@H](CO)C1CCCC1)c1cc(C#N)ccn1 ZINC000902997185 634930383 /nfs/dbraw/zinc/93/03/83/634930383.db2.gz RLUGEMMZAUGYSY-XHDPSFHLSA-N 0 3 259.353 2.155 20 30 CEEDHN COc1ccc(C[C@@H](C)NCC2(C#N)CCC2)cn1 ZINC000903035955 634941135 /nfs/dbraw/zinc/94/11/35/634941135.db2.gz XMOJTPAEAUDNND-GFCCVEGCSA-N 0 3 259.353 2.305 20 30 CEEDHN CC(C)CC[C@@H](CO)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903063241 634951947 /nfs/dbraw/zinc/95/19/47/634951947.db2.gz ASXACRRFHHPIJB-JSGCOSHPSA-N 0 3 261.369 2.401 20 30 CEEDHN C[C@H](CC#N)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000822613879 634954255 /nfs/dbraw/zinc/95/42/55/634954255.db2.gz UYFHTMTVLZLGMW-OAHLLOKOSA-N 0 3 287.407 2.169 20 30 CEEDHN COC[C@@H](NCC1(C#N)CCCC1)C1CCOCC1 ZINC000903109547 634973221 /nfs/dbraw/zinc/97/32/21/634973221.db2.gz QZECXCFQBYAISI-CQSZACIVSA-N 0 3 266.385 2.102 20 30 CEEDHN CO[C@]1(CN[C@@H](C)c2cc(C#N)ccn2)CCSC1 ZINC000903316116 635063296 /nfs/dbraw/zinc/06/32/96/635063296.db2.gz MWVFTVWODWXFAW-FZMZJTMJSA-N 0 3 277.393 2.126 20 30 CEEDHN N#CCCC[C@@H](N)c1nc(-c2ccn3cncc3c2)no1 ZINC000823162811 635083013 /nfs/dbraw/zinc/08/30/13/635083013.db2.gz AZRFPQDGAJJKNK-GFCCVEGCSA-N 0 3 282.307 2.078 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000823650140 635241942 /nfs/dbraw/zinc/24/19/42/635241942.db2.gz QVDXDNMMQQXVTN-JKSUJKDBSA-N 0 3 291.439 2.210 20 30 CEEDHN C=CCSCC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823936964 635308135 /nfs/dbraw/zinc/30/81/35/635308135.db2.gz BJHGUYLKOSRUGG-LLVKDONJSA-N 0 3 289.408 2.437 20 30 CEEDHN C=CCSCC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823936964 635308140 /nfs/dbraw/zinc/30/81/40/635308140.db2.gz BJHGUYLKOSRUGG-LLVKDONJSA-N 0 3 289.408 2.437 20 30 CEEDHN CC1/C(=C\c2c(Cl)nc(Cl)n2C)C(=O)c2ncnn21 ZINC000905079306 635796690 /nfs/dbraw/zinc/79/66/90/635796690.db2.gz ANNOBLMKUMAYHM-TZIUJERQSA-N 0 3 298.133 2.159 20 30 CEEDHN COCCOc1ccccc1/C=C1/C(=O)c2ncnn2C1C ZINC000905081205 635797275 /nfs/dbraw/zinc/79/72/75/635797275.db2.gz PVYGKKKHIHWKAO-GJSJWPQCSA-N 0 3 299.330 2.144 20 30 CEEDHN CC[C@@H](C#N)Oc1cccc(CNC[C@](C)(O)C(F)F)c1 ZINC000905118539 635824969 /nfs/dbraw/zinc/82/49/69/635824969.db2.gz WSUUUESBZWEQKE-WFASDCNBSA-N 0 3 298.333 2.473 20 30 CEEDHN CC[C@@H](C#N)Oc1cccc(CNC[C@@](C)(O)C(F)F)c1 ZINC000905118537 635825193 /nfs/dbraw/zinc/82/51/93/635825193.db2.gz WSUUUESBZWEQKE-SWLSCSKDSA-N 0 3 298.333 2.473 20 30 CEEDHN CCCCCCCC(=O)NCCCN1CCN(C)CC1 ZINC000826806600 635851157 /nfs/dbraw/zinc/85/11/57/635851157.db2.gz LGHBEIJOIKMOLX-UHFFFAOYSA-N 0 3 283.460 2.101 20 30 CEEDHN CC(C)C#CC(=O)N(CCN(C)C)C1CCCCC1 ZINC000827260394 636272878 /nfs/dbraw/zinc/27/28/78/636272878.db2.gz NIJCHJREGARELG-UHFFFAOYSA-N 0 3 264.413 2.369 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CNCc1cc(C#N)ccc1F ZINC000905519492 636318285 /nfs/dbraw/zinc/31/82/85/636318285.db2.gz VFGHBXBTOYFZDR-ZDUSSCGKSA-N 0 3 275.327 2.088 20 30 CEEDHN CC(C)C#CC(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000827555169 636352120 /nfs/dbraw/zinc/35/21/20/636352120.db2.gz PCGKGGFOAAXRRT-UHFFFAOYSA-N 0 3 264.413 2.225 20 30 CEEDHN C#C[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000827571273 636357402 /nfs/dbraw/zinc/35/74/02/636357402.db2.gz YESWEUSYFUJMEE-HNNXBMFYSA-N 0 3 288.347 2.421 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCc1cccc2c1OCC2 ZINC000905618091 636360005 /nfs/dbraw/zinc/36/00/05/636360005.db2.gz UNOGDBAEWOXSAH-CQSZACIVSA-N 0 3 274.364 2.012 20 30 CEEDHN C#Cc1cccc(NC(=S)N[C@H]2CCN(C)[C@@H]2C)c1 ZINC000905650954 636363854 /nfs/dbraw/zinc/36/38/54/636363854.db2.gz UADLUCIWEPBNSW-RISCZKNCSA-N 0 3 273.405 2.047 20 30 CEEDHN N#CC1(C[C@@H](O)CN2CC(Cc3ccco3)C2)CCC1 ZINC000905965169 636539190 /nfs/dbraw/zinc/53/91/90/636539190.db2.gz KBIOKVSXVUKQFR-CQSZACIVSA-N 0 3 274.364 2.199 20 30 CEEDHN N#Cc1cc(-c2cnn3c2CNCC3)ccc1C1CC1 ZINC000906200753 636646259 /nfs/dbraw/zinc/64/62/59/636646259.db2.gz VLANCCCWIUBPGA-UHFFFAOYSA-N 0 3 264.332 2.402 20 30 CEEDHN C=CCN1CCC(NC(=O)c2c(C)cc(C)nc2C)CC1 ZINC000906592017 636790365 /nfs/dbraw/zinc/79/03/65/636790365.db2.gz JGQTWSZAUHHSSS-UHFFFAOYSA-N 0 3 287.407 2.387 20 30 CEEDHN Cc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc(C)c1C#N ZINC000906970925 636905321 /nfs/dbraw/zinc/90/53/21/636905321.db2.gz GSTWENCJLXHBQA-CXAGYDPISA-N 0 3 297.402 2.388 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1cc(C)no1 ZINC000876503292 650293081 /nfs/dbraw/zinc/29/30/81/650293081.db2.gz FLUSPMSTFJKJBV-WDEREUQCSA-N 0 3 283.759 2.116 20 30 CEEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)N[C@H](C)CC)C1 ZINC000829774874 636928367 /nfs/dbraw/zinc/92/83/67/636928367.db2.gz VQPQJGDLYIUJBB-MGPQQGTHSA-N 0 3 250.386 2.025 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000876555099 650323955 /nfs/dbraw/zinc/32/39/55/650323955.db2.gz LYGSMOYAHIRMPY-RKDXNWHRSA-N 0 3 284.709 2.257 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@]1(C)CCC[C@@H]1CC ZINC000908437989 637344785 /nfs/dbraw/zinc/34/47/85/637344785.db2.gz WKKSSVURAQIIRU-GOEBONIOSA-N 0 3 264.413 2.274 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc2c(s1)CCC2 ZINC000876565399 650333558 /nfs/dbraw/zinc/33/35/58/650333558.db2.gz ICLHPQRZOIEYGC-ZETCQYMHSA-N 0 3 271.773 2.040 20 30 CEEDHN CC(C)C#CC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000831733883 637421959 /nfs/dbraw/zinc/42/19/59/637421959.db2.gz UTWDOTFWLRDWLM-OAHLLOKOSA-N 0 3 272.392 2.283 20 30 CEEDHN Cc1ccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)cc1C#N ZINC000831798524 637438858 /nfs/dbraw/zinc/43/88/58/637438858.db2.gz NQAHTBCJNMIGPQ-ZIAGYGMSSA-N 0 3 285.391 2.356 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCc2cc(OC)ccc21 ZINC000876570696 650335808 /nfs/dbraw/zinc/33/58/08/650335808.db2.gz LZBTWVBKRZEWLP-CYBMUJFWSA-N 0 3 294.782 2.444 20 30 CEEDHN CC(C)C#CC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000832319925 637544596 /nfs/dbraw/zinc/54/45/96/637544596.db2.gz NAJMCQZUHSLZHU-RHSMWYFYSA-N 0 3 272.392 2.453 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(F)cc1OC ZINC000876590452 650348046 /nfs/dbraw/zinc/34/80/46/650348046.db2.gz UZIQRCJPVGBBID-VIFPVBQESA-N 0 3 272.707 2.243 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(F)cc1OC ZINC000876590451 650348212 /nfs/dbraw/zinc/34/82/12/650348212.db2.gz UZIQRCJPVGBBID-SECBINFHSA-N 0 3 272.707 2.243 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000876593968 650350758 /nfs/dbraw/zinc/35/07/58/650350758.db2.gz OHBJDXCTIJLYCF-DRZSPHRISA-N 0 3 288.819 2.168 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc(CC)c(C)s1 ZINC000876603872 650355724 /nfs/dbraw/zinc/35/57/24/650355724.db2.gz CYZLYVWLOPJZEY-QMMMGPOBSA-N 0 3 273.789 2.422 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCc1ccc(OC)cc1 ZINC000876609335 650357820 /nfs/dbraw/zinc/35/78/20/650357820.db2.gz RBDAIOUKCJIBSM-AWEZNQCLSA-N 0 3 296.798 2.214 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(SC)cc1 ZINC000876616049 650360716 /nfs/dbraw/zinc/36/07/16/650360716.db2.gz QBIACXNENDWUCZ-LBPRGKRZSA-N 0 3 284.812 2.495 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2c1cccc2C ZINC000876629205 650366561 /nfs/dbraw/zinc/36/65/61/650366561.db2.gz DKGWCSMMXVHWIR-LBPRGKRZSA-N 0 3 264.756 2.354 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(CCC)C[C@H]1CCCCO1 ZINC000876649220 650374775 /nfs/dbraw/zinc/37/47/75/650374775.db2.gz PBJFPEMZZDVBQQ-OLZOCXBDSA-N 0 3 288.819 2.264 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCc1ccccc1OC ZINC000876648227 650374827 /nfs/dbraw/zinc/37/48/27/650374827.db2.gz NVZYCPGKHHZVNL-CYBMUJFWSA-N 0 3 296.798 2.166 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC)C[C@@H]1CCCCO1 ZINC000876649221 650374951 /nfs/dbraw/zinc/37/49/51/650374951.db2.gz PBJFPEMZZDVBQQ-QWHCGFSZSA-N 0 3 288.819 2.264 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cnc(Cl)cc1C ZINC000876655735 650379147 /nfs/dbraw/zinc/37/91/47/650379147.db2.gz SVJUZPNIJHHZJP-MRVPVSSYSA-N 0 3 274.151 2.452 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N1CCCN(CC)C[C@H]1C ZINC000910279709 637973551 /nfs/dbraw/zinc/97/35/51/637973551.db2.gz LJMKGKJWXVIOAD-ZBFHGGJFSA-N 0 3 282.428 2.158 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CSc2ccccc21 ZINC000876659248 650384003 /nfs/dbraw/zinc/38/40/03/650384003.db2.gz RRZJIHSLBDQUQX-MNOVXSKESA-N 0 3 282.796 2.420 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000835056593 638042061 /nfs/dbraw/zinc/04/20/61/638042061.db2.gz LNTQNUVWGWRIKD-ZNMIVQPWSA-N 0 3 299.374 2.200 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC000876672937 650392638 /nfs/dbraw/zinc/39/26/38/650392638.db2.gz SKDXKQJZRZBRCA-MXWKQRLJSA-N 0 3 276.833 2.247 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)c1nc(C)cs1 ZINC000876674159 650393718 /nfs/dbraw/zinc/39/37/18/650393718.db2.gz BPYCBMVQGZKSJC-VIFPVBQESA-N 0 3 273.789 2.274 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@H](OC)C1(CC)CC ZINC000876703276 650406502 /nfs/dbraw/zinc/40/65/02/650406502.db2.gz JXQDTRQSQDXZNJ-SRVKXCTJSA-N 0 3 288.819 2.166 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc(C(C)(C)C)ns1 ZINC000876707274 650407203 /nfs/dbraw/zinc/40/72/03/650407203.db2.gz ZWKINTNJFLUQOW-SSDOTTSWSA-N 0 3 288.804 2.244 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(SC)cn1 ZINC000876733302 650412882 /nfs/dbraw/zinc/41/28/82/650412882.db2.gz UWWKULLMZZLXBN-SECBINFHSA-N 0 3 271.773 2.212 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCN(C)c1ccccc1 ZINC000876758627 650422511 /nfs/dbraw/zinc/42/25/11/650422511.db2.gz GIPWOMCJSXIKLB-CQSZACIVSA-N 0 3 295.814 2.051 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCN(C)c2ccccc21 ZINC000876769093 650426440 /nfs/dbraw/zinc/42/64/40/650426440.db2.gz NXFTUCDCCYLIPG-GFCCVEGCSA-N 0 3 293.798 2.329 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000876776854 650428130 /nfs/dbraw/zinc/42/81/30/650428130.db2.gz HNNLJNRVKOFKCV-DTWKUNHWSA-N 0 3 273.789 2.099 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCOc1cccc(C)c1 ZINC000912077501 638550423 /nfs/dbraw/zinc/55/04/23/638550423.db2.gz DRKDMIBOXCFYJL-HNNXBMFYSA-N 0 3 276.380 2.174 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N(C)CCOc1ccccc1F ZINC000912143078 638581799 /nfs/dbraw/zinc/58/17/99/638581799.db2.gz IVZRAQIMAHUCNI-AWEZNQCLSA-N 0 3 294.370 2.347 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000836320386 638599359 /nfs/dbraw/zinc/59/93/59/638599359.db2.gz ZHHOGDLOAXDDJM-KBPBESRZSA-N 0 3 279.428 2.065 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(F)c(NC(C)=O)c1 ZINC000912217573 638613618 /nfs/dbraw/zinc/61/36/18/638613618.db2.gz FUBPFBMXVJMTIX-CYBMUJFWSA-N 0 3 293.342 2.406 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000912225865 638615762 /nfs/dbraw/zinc/61/57/62/638615762.db2.gz MYUQELSBVNDGQQ-JKSUJKDBSA-N 0 3 288.391 2.270 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCCCCCCC1 ZINC000836491494 638648931 /nfs/dbraw/zinc/64/89/31/638648931.db2.gz UQHXNBSXCZXWHX-UHFFFAOYSA-N 0 3 279.428 2.307 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC(C)(C(C)C)CC1 ZINC000836490118 638649156 /nfs/dbraw/zinc/64/91/56/638649156.db2.gz IERMFBHEOKBZJY-UHFFFAOYSA-N 0 3 293.455 2.409 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](CC)CC[C@@H]1C ZINC000836491495 638649442 /nfs/dbraw/zinc/64/94/42/638649442.db2.gz URCFWWPDCVJPRR-LSDHHAIUSA-N 0 3 279.428 2.162 20 30 CEEDHN CCc1ccc(C#CC(=O)N[C@]2(C)CN3CCC2CC3)cc1 ZINC000912374705 638673636 /nfs/dbraw/zinc/67/36/36/638673636.db2.gz QMXUMBNSFWHNHZ-LJQANCHMSA-N 0 3 296.414 2.201 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1COC ZINC000912405012 638680954 /nfs/dbraw/zinc/68/09/54/638680954.db2.gz YEYDBWKORHSOEE-CYBMUJFWSA-N 0 3 262.353 2.455 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)c1ccncc1 ZINC000876849925 650458163 /nfs/dbraw/zinc/45/81/63/650458163.db2.gz CATZOLQHOLMQKP-ZYHUDNBSSA-N 0 3 267.760 2.071 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2c(cccc2OC)C1 ZINC000876885929 650474053 /nfs/dbraw/zinc/47/40/53/650474053.db2.gz RWBWKVDGOLRIHI-ZDUSSCGKSA-N 0 3 294.782 2.050 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000876898650 650477896 /nfs/dbraw/zinc/47/78/96/650477896.db2.gz ORSXCTWDNYZNFX-ZDUSSCGKSA-N 0 3 296.802 2.084 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000876899708 650478026 /nfs/dbraw/zinc/47/80/26/650478026.db2.gz OVVZBAVFXMOBQF-NEPJUHHUSA-N 0 3 298.745 2.235 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1c(C)noc1C1CC1 ZINC000876905346 650480478 /nfs/dbraw/zinc/48/04/78/650480478.db2.gz GGNRHRFQPBJDOR-SECBINFHSA-N 0 3 269.732 2.269 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C)C(C)(C)C1 ZINC000876908336 650481559 /nfs/dbraw/zinc/48/15/59/650481559.db2.gz MBXGFRRSSWZRND-KOLCDFICSA-N 0 3 258.793 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/nfs/dbraw/zinc/55/70/18/646557018.db2.gz NQAYVENTCBXOCL-JTQLQIEISA-N 0 3 297.236 2.130 20 30 CEEDHN CO[C@H](CN[C@H]1CCC[C@@H](C#N)C1)C(F)(F)F ZINC000774292840 646829074 /nfs/dbraw/zinc/82/90/74/646829074.db2.gz MLUGKLBDYJDDCV-KXUCPTDWSA-N 0 3 250.264 2.236 20 30 CEEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1ccccc1)[C@H]1CCCO1 ZINC000775351151 646944931 /nfs/dbraw/zinc/94/49/31/646944931.db2.gz RWHFEVVNJQMXGE-VNQPRFMTSA-N 0 3 286.375 2.174 20 30 CEEDHN C=CCC[C@H](NCC(=O)NCCC#N)c1ccccc1 ZINC000775462951 646957347 /nfs/dbraw/zinc/95/73/47/646957347.db2.gz GRIHSJDSZJISBY-HNNXBMFYSA-N 0 3 271.364 2.313 20 30 CEEDHN C=C(C)CCN(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000775602401 646971716 /nfs/dbraw/zinc/97/17/16/646971716.db2.gz XCOTUPVJFKWUMJ-JTQLQIEISA-N 0 3 264.291 2.048 20 30 CEEDHN C=CCNC(=O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000776957400 647099236 /nfs/dbraw/zinc/09/92/36/647099236.db2.gz CZRNSNRKHUSINE-UHFFFAOYSA-N 0 3 296.370 2.451 20 30 CEEDHN CN(C)CCN(Cc1ccccc1)C(=O)c1coc(C#N)c1 ZINC000865040683 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647408633 /nfs/dbraw/zinc/40/86/33/647408633.db2.gz OIQHKCDOSCQZLG-CQSZACIVSA-N 0 3 261.369 2.245 20 30 CEEDHN Cn1cc(CCNCc2nc(C#N)cs2)c2cccnc21 ZINC000865812003 647474146 /nfs/dbraw/zinc/47/41/46/647474146.db2.gz GXTOBXXEPPSKRF-UHFFFAOYSA-N 0 3 297.387 2.234 20 30 CEEDHN C[C@@H](NC(=O)Cc1ccccc1CC#N)C1=CCN(C)CC1 ZINC000781183944 647505504 /nfs/dbraw/zinc/50/55/04/647505504.db2.gz PYTWPMAJXAKIJX-CQSZACIVSA-N 0 3 297.402 2.062 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC2(CNC(=O)O2)CC1 ZINC000781992345 647577528 /nfs/dbraw/zinc/57/75/28/647577528.db2.gz JBKPWERBWVLYEC-GFCCVEGCSA-N 0 3 285.347 2.194 20 30 CEEDHN C[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cccc(C#N)c1[O-] ZINC000866285266 647717422 /nfs/dbraw/zinc/71/74/22/647717422.db2.gz LPQHTYDGDYQINX-GXFFZTMASA-N 0 3 282.347 2.195 20 30 CEEDHN C#C[C@H](NC[C@@H](O)Cc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000805750710 647751379 /nfs/dbraw/zinc/75/13/79/647751379.db2.gz SIUIDMWLCMIGDK-JYJNAYRXSA-N 0 3 293.794 2.014 20 30 CEEDHN C=CCOc1ccccc1CN1C[C@H]2C[C@@]2(CO)C1 ZINC000783733119 647754062 /nfs/dbraw/zinc/75/40/62/647754062.db2.gz HBBHTPZNTBGEGP-ZBFHGGJFSA-N 0 3 259.349 2.066 20 30 CEEDHN C[C@H](CC#N)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000783938807 647778644 /nfs/dbraw/zinc/77/86/44/647778644.db2.gz YQXCJKBWUBKMQI-VXGBXAGGSA-N 0 3 267.373 2.135 20 30 CEEDHN CC(C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786532011 648024630 /nfs/dbraw/zinc/02/46/30/648024630.db2.gz XXAUQEZZKQJEAM-LBPRGKRZSA-N 0 3 278.739 2.321 20 30 CEEDHN CCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786536142 648025134 /nfs/dbraw/zinc/02/51/34/648025134.db2.gz YABWRQHWVXXHGP-LBPRGKRZSA-N 0 3 278.739 2.465 20 30 CEEDHN CC(C)[C@@H](F)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787074150 648070895 /nfs/dbraw/zinc/07/08/95/648070895.db2.gz XKVKDRUOTFKMOG-UONOGXRCSA-N 0 3 290.338 2.348 20 30 CEEDHN C/C(C=Nn1cnnc1)=C/c1cccc([N+](=O)[O-])c1 ZINC000787144683 648079525 /nfs/dbraw/zinc/07/95/25/648079525.db2.gz LEDSPSIWNAMJES-LOGOEPJFSA-N 0 3 257.253 2.124 20 30 CEEDHN C#CCOc1ccc(CNCc2cccn(CC)c2=O)cc1 ZINC000788524487 648198774 /nfs/dbraw/zinc/19/87/74/648198774.db2.gz QPIPWYHIZUFYIK-UHFFFAOYSA-N 0 3 296.370 2.170 20 30 CEEDHN COC(=O)CCN1CCC(=NOC2CCCCC2)CC1 ZINC000788726922 648218778 /nfs/dbraw/zinc/21/87/78/648218778.db2.gz XGXKHCPJWQKJOA-UHFFFAOYSA-N 0 3 282.384 2.351 20 30 CEEDHN C#CCCCN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000788779089 648222812 /nfs/dbraw/zinc/22/28/12/648222812.db2.gz UOOAIZWGQFYDFV-CQSZACIVSA-N 0 3 258.300 2.036 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)c2ccc3c(C#N)c[nH]c3c2)CCN1 ZINC000869331784 648417640 /nfs/dbraw/zinc/41/76/40/648417640.db2.gz YEJSJAIASWXXTN-MRXNPFEDSA-N 0 3 296.374 2.110 20 30 CEEDHN N#Cc1cc(C(=O)NC[C@H]2CCN2C2CCCCC2)co1 ZINC000869397714 648443099 /nfs/dbraw/zinc/44/30/99/648443099.db2.gz FEBIZDJVLULFSU-CQSZACIVSA-N 0 3 287.363 2.288 20 30 CEEDHN C#CCN1CCC(C(=O)NCc2csc(C)c2C)CC1 ZINC000870295876 648763147 /nfs/dbraw/zinc/76/31/47/648763147.db2.gz SRIUDHFIOSIBJU-UHFFFAOYSA-N 0 3 290.432 2.326 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H]1CCN(C2CCC2)C1=O ZINC000871885870 649207103 /nfs/dbraw/zinc/20/71/03/649207103.db2.gz SYGBLTYUQCHPHT-FUHWJXTLSA-N 0 3 296.414 2.364 20 30 CEEDHN C=CCN1CC[C@H](N2CCC[C@@H](OC3CCC3)CC2)C1=O ZINC000872281681 649343120 /nfs/dbraw/zinc/34/31/20/649343120.db2.gz XRJKROPJUXXIRD-CVEARBPZSA-N 0 3 292.423 2.197 20 30 CEEDHN N#Cc1c(F)cccc1CNC1CCC2(CC1)OCCO2 ZINC000873013646 649530907 /nfs/dbraw/zinc/53/09/07/649530907.db2.gz FAWRDGHWKJMOIO-UHFFFAOYSA-N 0 3 290.338 2.473 20 30 CEEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000878942125 651214516 /nfs/dbraw/zinc/21/45/16/651214516.db2.gz XHNOPCPZTYAJSL-CQSZACIVSA-N 0 3 282.428 2.158 20 30 CEEDHN C=C(Cl)CN1CCN[C@H](c2ccc(OC)cc2)C1 ZINC000879522477 651315592 /nfs/dbraw/zinc/31/55/92/651315592.db2.gz YCAXFRDPDDNXLN-AWEZNQCLSA-N 0 3 266.772 2.394 20 30 CEEDHN C=CCCCCCN1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879938568 651363201 /nfs/dbraw/zinc/36/32/01/651363201.db2.gz DJYBEYATXOAHHI-KGLIPLIRSA-N 0 3 271.426 2.099 20 30 CEEDHN C#CCOCCN1CCN([C@H](C)c2ccccc2)CC1 ZINC000880249507 651409817 /nfs/dbraw/zinc/40/98/17/651409817.db2.gz DVGYJZPCQFFEMJ-MRXNPFEDSA-N 0 3 272.392 2.015 20 30 CEEDHN C=CCCC[C@@H](NCCS(=O)(=O)NC)c1ccccc1 ZINC000880390368 651434540 /nfs/dbraw/zinc/43/45/40/651434540.db2.gz QCGJJHAHNPNCLA-OAHLLOKOSA-N 0 3 296.436 2.223 20 30 CEEDHN CC(C)(C#N)CCCCN1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880523250 651454962 /nfs/dbraw/zinc/45/49/62/651454962.db2.gz GICMRFPPUMAILD-KGLIPLIRSA-N 0 3 277.412 2.307 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1ccc2ccccc2n1 ZINC000883110555 652365798 /nfs/dbraw/zinc/36/57/98/652365798.db2.gz DLDBHCUNHZAFFD-UHFFFAOYSA-N 0 3 296.374 2.311 20 30 CEEDHN C#CC[C@H](CO)NCc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000883123872 652369373 /nfs/dbraw/zinc/36/93/73/652369373.db2.gz NPTGVBDYPVNMAJ-UKRRQHHQSA-N 0 3 291.391 2.346 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc(OC)c(COCC)c1 ZINC000883157102 652382886 /nfs/dbraw/zinc/38/28/86/652382886.db2.gz MSPNXLASBKUGPR-INIZCTEOSA-N 0 3 291.391 2.096 20 30 CEEDHN C#Cc1ccc(CN[C@H]2CCCC23OCCO3)cc1 ZINC000883177775 652390122 /nfs/dbraw/zinc/39/01/22/652390122.db2.gz IMBBSCVTPTYBLS-HNNXBMFYSA-N 0 3 257.333 2.053 20 30 CEEDHN C#CC1(NCc2cnc3c(c2)c(C)nn3C)CCCC1 ZINC000883362497 652444703 /nfs/dbraw/zinc/44/47/03/652444703.db2.gz FCQMZSQZYVRDFH-UHFFFAOYSA-N 0 3 268.364 2.312 20 30 CEEDHN CC(C)[C@@H]1CCCCN1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884140374 652724747 /nfs/dbraw/zinc/72/47/47/652724747.db2.gz RNSFPDAAADIGNE-GWUWNPHMSA-N 0 3 289.423 2.163 20 30 CEEDHN CC(C)[C@H](C)N(C(=O)C1CC2(C1)CNC[C@@H]2C#N)C1CC1 ZINC000884307824 652789858 /nfs/dbraw/zinc/78/98/58/652789858.db2.gz WDLYPPSDCDIOBD-PEUXKQIOSA-N 0 3 289.423 2.161 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N(C(=O)C2CC3(C2)CNC[C@H]3C#N)C1 ZINC000884410954 652839490 /nfs/dbraw/zinc/83/94/90/652839490.db2.gz XVXZVJZSZAEERY-RXKGYNAASA-N 0 3 289.423 2.163 20 30 CEEDHN C=CCOc1ccccc1CNCC[S@@](=O)CC ZINC000134734171 652870196 /nfs/dbraw/zinc/87/01/96/652870196.db2.gz KIQKIGHLVGHTGS-GOSISDBHSA-N 0 3 267.394 2.110 20 30 CEEDHN COc1cc(C#N)nc(N2CCN(C3CCCC3)CC2)c1 ZINC001165028455 721856884 /nfs/dbraw/zinc/85/68/84/721856884.db2.gz MHHJFTZMEDCFJC-UHFFFAOYSA-N 0 3 286.379 2.026 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cnn(CCC)c2)[C@H]1CC ZINC001087745760 805784383 /nfs/dbraw/zinc/78/43/83/805784383.db2.gz OGGRNEMAFQFSOC-LSDHHAIUSA-N 0 3 290.411 2.062 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3[nH]cnc32)[C@H]1CC ZINC001087771196 805790982 /nfs/dbraw/zinc/79/09/82/805790982.db2.gz RXHRHKNMSSHDQF-DZGCQCFKSA-N 0 3 298.390 2.332 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ncccc2F)[C@H]1CC ZINC001087774219 805791061 /nfs/dbraw/zinc/79/10/61/805791061.db2.gz FBYINALRXRNROY-UONOGXRCSA-N 0 3 291.370 2.380 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]nc2C2CC2)[C@H]1CC ZINC001087782315 805792374 /nfs/dbraw/zinc/79/23/74/805792374.db2.gz KNSKFIIKZZCFSL-UONOGXRCSA-N 0 3 288.395 2.056 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029422739 805799350 /nfs/dbraw/zinc/79/93/50/805799350.db2.gz XRESBJZOYDGIQF-OKILXGFUSA-N 0 3 262.397 2.284 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc(C)cs3)C[C@@H]2C1 ZINC001087958622 805864223 /nfs/dbraw/zinc/86/42/23/805864223.db2.gz XNSFDUMYFHBEJV-KGLIPLIRSA-N 0 3 288.416 2.084 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)C(C)(C)C)C[C@@H]2C1 ZINC001088013173 805881620 /nfs/dbraw/zinc/88/16/20/805881620.db2.gz SYRYOLLCVBIACU-KFWWJZLASA-N 0 3 276.424 2.082 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C3(F)CCCC3)C[C@@H]2C1 ZINC001088020420 805882697 /nfs/dbraw/zinc/88/26/97/805882697.db2.gz KHYRGQXUXZTBLZ-CABCVRRESA-N 0 3 292.398 2.072 20 30 CEEDHN C=CCOCCN1CCC(NC(=O)CC(C)(C)C=C)CC1 ZINC001227562501 805949984 /nfs/dbraw/zinc/94/99/84/805949984.db2.gz UGAWJZPNVRWTBT-UHFFFAOYSA-N 0 3 294.439 2.372 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc4occc4[nH]3)[C@@H]2C1 ZINC001075845953 805969676 /nfs/dbraw/zinc/96/96/76/805969676.db2.gz TVVSVZCJBJFHBN-SWLSCSKDSA-N 0 3 299.374 2.483 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC[C@H]3[C@@H](CCN3CCF)C2)C1 ZINC001036815563 814927587 /nfs/dbraw/zinc/92/75/87/814927587.db2.gz GYHFMMPFEYIJIA-KBPBESRZSA-N 0 3 280.387 2.235 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)[C@H]1CCC[C@H](F)C1 ZINC001272014024 806268230 /nfs/dbraw/zinc/26/82/30/806268230.db2.gz VUFPWKMYSRKFRI-STQMWFEESA-N 0 3 256.365 2.091 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)C1([C@@H]2CCCCO2)CCC1 ZINC001272061321 806401410 /nfs/dbraw/zinc/40/14/10/806401410.db2.gz QNWVSCXDVGEZGS-HNNXBMFYSA-N 0 3 294.439 2.302 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001272074818 806418450 /nfs/dbraw/zinc/41/84/50/806418450.db2.gz DSGBWCLQDYNFDM-CVEARBPZSA-N 0 3 294.439 2.300 20 30 CEEDHN CC(C)N1CC[C@@H](Oc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC001229188698 806455473 /nfs/dbraw/zinc/45/54/73/806455473.db2.gz LAADMKUGZCAOFF-GFCCVEGCSA-N 0 3 275.308 2.328 20 30 CEEDHN CC/C(C)=C/C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001126752567 806518033 /nfs/dbraw/zinc/51/80/33/806518033.db2.gz PWKHSIJRTSUSIT-XYOKQWHBSA-N 0 3 289.354 2.259 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC001272125395 806557590 /nfs/dbraw/zinc/55/75/90/806557590.db2.gz BTGRGBRDNXUINP-CABCVRRESA-N 0 3 282.428 2.158 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H](C)C1CC1 ZINC001272178119 806569635 /nfs/dbraw/zinc/56/96/35/806569635.db2.gz CPUKWXXRIRFOLN-ZDUSSCGKSA-N 0 3 252.402 2.389 20 30 CEEDHN CCN(CC)Cc1cncc(NC(=N)c2nccs2)c1 ZINC001168280776 806592679 /nfs/dbraw/zinc/59/26/79/806592679.db2.gz PRCOJJOKCHLXAP-UHFFFAOYSA-N 0 3 289.408 2.417 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCC34CC4)[C@@H]2C1 ZINC001075943625 806631256 /nfs/dbraw/zinc/63/12/56/806631256.db2.gz ZDFCWDALINJUGZ-RRFJBIMHSA-N 0 3 274.408 2.285 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)[C@H]1C ZINC001088701939 806665856 /nfs/dbraw/zinc/66/58/56/806665856.db2.gz RXMWAYOJRSGZDS-OCCSQVGLSA-N 0 3 298.390 2.250 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc43)[C@@H]2C1 ZINC001076196101 806824342 /nfs/dbraw/zinc/82/43/42/806824342.db2.gz ZDRFFYICUCKJTL-USXIJHARSA-N 0 3 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CEEDHN C#CCN1CC[C@@H](CNC(=O)c2cccc(F)c2Cl)C1 ZINC001028831225 805287531 /nfs/dbraw/zinc/28/75/31/805287531.db2.gz NXAVLJOENUWNKY-NSHDSACASA-N 0 3 294.757 2.164 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc(Cl)cs2)C1 ZINC001028846699 805306674 /nfs/dbraw/zinc/30/66/74/805306674.db2.gz ROKLZPZKULSYEP-JTQLQIEISA-N 0 3 282.796 2.086 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc(C)c(CC)o2)C1 ZINC001028924788 805361237 /nfs/dbraw/zinc/36/12/37/805361237.db2.gz HGZJCYYYMBEPKH-AWEZNQCLSA-N 0 3 288.391 2.225 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2oc3ccccc3c2C)C1 ZINC001028972440 805395116 /nfs/dbraw/zinc/39/51/16/805395116.db2.gz KWSUQOQLHLOTKI-CQSZACIVSA-N 0 3 296.370 2.426 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2oc3ccccc3c2C)C1 ZINC001028972439 805395340 /nfs/dbraw/zinc/39/53/40/805395340.db2.gz KWSUQOQLHLOTKI-AWEZNQCLSA-N 0 3 296.370 2.426 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001029000084 805421060 /nfs/dbraw/zinc/42/10/60/805421060.db2.gz XSSQOQXOXJHACV-CQSZACIVSA-N 0 3 282.387 2.249 20 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C=CCN[C@@H]1CN(C(=O)C2(C)CC2)CC[C@H]1C(F)(F)F ZINC000998266500 808734015 /nfs/dbraw/zinc/73/40/15/808734015.db2.gz KNEWQNTWSPROKK-GHMZBOCLSA-N 0 3 290.329 2.342 20 30 CEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccc(CC)n1 ZINC001272831970 808816549 /nfs/dbraw/zinc/81/65/49/808816549.db2.gz XAENSKOPCKUIDM-GFCCVEGCSA-N 0 3 295.814 2.495 20 30 CEEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1cncc(C)c1)CC2 ZINC001272839329 808824699 /nfs/dbraw/zinc/82/46/99/808824699.db2.gz SOACFNRMJGYAAG-INIZCTEOSA-N 0 3 299.418 2.294 20 30 CEEDHN C=C[C@H](COC)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC001116620330 808849525 /nfs/dbraw/zinc/84/95/25/808849525.db2.gz IXLOTEHYEJDLJZ-GXTWGEPZSA-N 0 3 290.363 2.495 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C)nc1 ZINC001032785038 808867282 /nfs/dbraw/zinc/86/72/82/808867282.db2.gz TWRXQWSIYAXKTH-IRXDYDNUSA-N 0 3 299.418 2.184 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C)s1 ZINC001032801923 808898911 /nfs/dbraw/zinc/89/89/11/808898911.db2.gz LVGQRVSHMYIDKX-KBPBESRZSA-N 0 3 290.432 2.460 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cocn2)C12CCC2 ZINC001078579118 808921647 /nfs/dbraw/zinc/92/16/47/808921647.db2.gz UWAONCRVXYCUAF-NWDGAFQWSA-N 0 3 295.770 2.058 20 30 CEEDHN CC(=O)N1CCC2(C1)CCN(Cc1cccc(C#N)c1)CC2 ZINC001040560950 809051762 /nfs/dbraw/zinc/05/17/62/809051762.db2.gz STWCRXXZNGJNTF-UHFFFAOYSA-N 0 3 297.402 2.393 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001032841744 809058466 /nfs/dbraw/zinc/05/84/66/809058466.db2.gz KMBVYTDMFPRRNE-BZUAXINKSA-N 0 3 288.435 2.417 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CCNCc1ccn(C)n1 ZINC001273001142 809074368 /nfs/dbraw/zinc/07/43/68/809074368.db2.gz APSINYWQHJQYSH-XJKSGUPXSA-N 0 3 292.427 2.007 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2oc(C)cc2C)C1 ZINC001032982571 809132404 /nfs/dbraw/zinc/13/24/04/809132404.db2.gz LYHOJJDJDCQUAF-CQSZACIVSA-N 0 3 274.364 2.066 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)C2CC2)C1 ZINC001032981937 809134656 /nfs/dbraw/zinc/13/46/56/809134656.db2.gz 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/nfs/dbraw/zinc/30/05/91/809300591.db2.gz SSJZXIARXHQODM-AWEZNQCLSA-N 0 3 289.423 2.310 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033450398 809307016 /nfs/dbraw/zinc/30/70/16/809307016.db2.gz XCUGPLSJLPVFPG-CQSZACIVSA-N 0 3 295.386 2.338 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnn(CCC)c2)C1 ZINC001033469617 809311711 /nfs/dbraw/zinc/31/17/11/809311711.db2.gz HUYONWCDPSREGC-HNNXBMFYSA-N 0 3 290.411 2.016 20 30 CEEDHN C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(CC=C(C)C)C2)cn1 ZINC001033597242 809350260 /nfs/dbraw/zinc/35/02/60/809350260.db2.gz QESBIKVIFNSHCL-QGZVFWFLSA-N 0 3 297.402 2.175 20 30 CEEDHN C#Cc1ccccc1CC(=O)N(C)[C@H]1CCN(CC(=C)C)C1 ZINC001033616849 809362178 /nfs/dbraw/zinc/36/21/78/809362178.db2.gz MSJQYANHVHSKOF-SFHVURJKSA-N 0 3 296.414 2.319 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2n[nH]c3ccccc32)C1 ZINC001033632633 809367268 /nfs/dbraw/zinc/36/72/68/809367268.db2.gz CAPVRXUCRJXZSN-CYBMUJFWSA-N 0 3 298.390 2.285 20 30 CEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2sc(C)nc2C)C1 ZINC001033641296 809370400 /nfs/dbraw/zinc/37/04/00/809370400.db2.gz AGNBRHKHKRWBIA-ZDUSSCGKSA-N 0 3 293.436 2.482 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)C2CCOCC2)C1 ZINC001033723961 809394789 /nfs/dbraw/zinc/39/47/89/809394789.db2.gz RCEGDKHLIMOQEH-HOCLYGCPSA-N 0 3 294.439 2.158 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(Cl)[nH]2)C1 ZINC001033946742 809457603 /nfs/dbraw/zinc/45/76/03/809457603.db2.gz IHAHYOFTUAUTON-LBPRGKRZSA-N 0 3 293.798 2.228 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001033968949 809466436 /nfs/dbraw/zinc/46/64/36/809466436.db2.gz RTLDLLSBRXTPCA-RBSFLKMASA-N 0 3 280.412 2.053 20 30 CEEDHN COC(=O)[C@H]1CN(Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000701858602 809471296 /nfs/dbraw/zinc/47/12/96/809471296.db2.gz OGFUNNFBWJEIAC-WFASDCNBSA-N 0 3 272.348 2.108 20 30 CEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccoc2C)C1 ZINC001034091545 809509163 /nfs/dbraw/zinc/50/91/63/809509163.db2.gz PNOCDNKFBSEDRA-AWEZNQCLSA-N 0 3 274.364 2.196 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001034222392 809557930 /nfs/dbraw/zinc/55/79/30/809557930.db2.gz DKCDQVIUESALHL-CYBMUJFWSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccncc2CC)C1 ZINC001034281651 809570371 /nfs/dbraw/zinc/57/03/71/809570371.db2.gz DZKAPCGIAMUOTF-OAHLLOKOSA-N 0 3 287.407 2.414 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001034322806 809580495 /nfs/dbraw/zinc/58/04/95/809580495.db2.gz DPZJAAFLILWYPR-IJEWVQPXSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccn(C)c2C)C1 ZINC001034386604 809595732 /nfs/dbraw/zinc/59/57/32/809595732.db2.gz RMRFIEQWIISEDP-AWEZNQCLSA-N 0 3 275.396 2.104 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccn(C)c2CC)C1 ZINC001034395773 809600275 /nfs/dbraw/zinc/60/02/75/809600275.db2.gz CGHWDMIGBDJIDH-CQSZACIVSA-N 0 3 289.423 2.358 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001034416851 809604325 /nfs/dbraw/zinc/60/43/25/809604325.db2.gz LKUTXNUUNNGOCG-ZIAGYGMSSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001034443187 809608556 /nfs/dbraw/zinc/60/85/56/809608556.db2.gz WKUSATRVVQCXPH-JYJNAYRXSA-N 0 3 292.423 2.124 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@]2(C)CCCOC2)C1 ZINC001034468986 809615632 /nfs/dbraw/zinc/61/56/32/809615632.db2.gz UKWQYZGDACPAID-RDJZCZTQSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)c2cccnc2)C1 ZINC001034490923 809616778 /nfs/dbraw/zinc/61/67/78/809616778.db2.gz NYAPLCWTRSKBNK-ZBFHGGJFSA-N 0 3 287.407 2.342 20 30 CEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C#CC1CC1)C2 ZINC001121076899 815309106 /nfs/dbraw/zinc/30/91/06/815309106.db2.gz HHLHEMCLJCULOO-UHFFFAOYSA-N 0 3 292.810 2.169 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccoc1C)CC2 ZINC001035645742 809801131 /nfs/dbraw/zinc/80/11/31/809801131.db2.gz KNGLLMOYCFOBHQ-UHFFFAOYSA-N 0 3 286.375 2.149 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ocnc1C)CC2 ZINC001035677690 809801871 /nfs/dbraw/zinc/80/18/71/809801871.db2.gz QOCCCVCPDFVWMN-UHFFFAOYSA-N 0 3 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C=C(C)CN1CC[C@@H]2CN(C(=O)c3[nH]c(C)cc3C)[C@@H]2C1 ZINC001084457115 810469528 /nfs/dbraw/zinc/46/95/28/810469528.db2.gz DEGRSISFLNCOKB-HUUCEWRRSA-N 0 3 287.407 2.354 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc[nH]c2C2CC2)CC1 ZINC001016797925 810470208 /nfs/dbraw/zinc/47/02/08/810470208.db2.gz HFQWFMRLDGVGEZ-OAHLLOKOSA-N 0 3 297.402 2.110 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C3CCC(=C)CC3)[C@@H]2C1 ZINC001084634101 810489833 /nfs/dbraw/zinc/48/98/33/810489833.db2.gz BQKCJZUKRSSVBG-IAGOWNOFSA-N 0 3 286.419 2.289 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3csc(C)c3)[C@@H]2C1 ZINC001084721668 810506531 /nfs/dbraw/zinc/50/65/31/810506531.db2.gz DEPPUDQNOJCXDW-UKRRQHHQSA-N 0 3 288.416 2.226 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCOC1 ZINC001017431425 810521064 /nfs/dbraw/zinc/52/10/64/810521064.db2.gz DBTQAUIATDZBKN-OAGGEKHMSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)C(C)C)C[C@@H]21 ZINC001085048067 810574023 /nfs/dbraw/zinc/57/40/23/810574023.db2.gz 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C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001038146752 810798295 /nfs/dbraw/zinc/79/82/95/810798295.db2.gz SRKGBBQTWDIMLN-BYNSBNAKSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2cc[nH]c2n1 ZINC001085655939 810865729 /nfs/dbraw/zinc/86/57/29/810865729.db2.gz CHKQMPKROUYATR-AWEZNQCLSA-N 0 3 298.390 2.285 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1[nH]c(C)cc1C ZINC001085675911 810871981 /nfs/dbraw/zinc/87/19/81/810871981.db2.gz CIYFGDCXEJSMCI-CQSZACIVSA-N 0 3 275.396 2.354 20 30 CEEDHN C#Cc1cncc(C(=O)NC[C@@H]2CCN2CCC(C)(C)C)c1 ZINC001038685585 810892030 /nfs/dbraw/zinc/89/20/30/810892030.db2.gz VOVZSZLPYQUJLT-INIZCTEOSA-N 0 3 299.418 2.303 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cccc(OC)c1C ZINC001038748678 810905035 /nfs/dbraw/zinc/90/50/35/810905035.db2.gz VJTRKFPZATYSTD-CQSZACIVSA-N 0 3 288.391 2.384 20 30 CEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)/C=C/C2CC2)C1 ZINC001039196116 810997399 /nfs/dbraw/zinc/99/73/99/810997399.db2.gz RPRXYRNZPYTQGB-AFYXXPPBSA-N 0 3 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C[C@H]1CCN(CC(=O)N(CCC#N)CCC#N)C[C@H](C)C1 ZINC000127485394 365748907 /nfs/dbraw/zinc/74/89/07/365748907.db2.gz YKDBUFNXZZDPPT-LSDHHAIUSA-N 0 3 290.411 2.010 20 30 CEEDHN C=CCOc1ccccc1CN1CCO[C@H](CN(C)C)C1 ZINC000128163131 365778055 /nfs/dbraw/zinc/77/80/55/365778055.db2.gz KUISTWFNPSQEOP-MRXNPFEDSA-N 0 3 290.407 2.014 20 30 CEEDHN C=CC[C@H](CO)NCc1cn(-c2cccc(F)c2)nc1C ZINC000414426656 539331306 /nfs/dbraw/zinc/33/13/06/539331306.db2.gz CRBIOBJWECFBDJ-OAHLLOKOSA-N 0 3 289.354 2.346 20 30 CEEDHN N#CCCCN1CCN(CCc2ccccc2)CC1 ZINC000055379139 343603196 /nfs/dbraw/zinc/60/31/96/343603196.db2.gz UVMFXKLGDLQDPJ-UHFFFAOYSA-N 0 3 257.381 2.150 20 30 CEEDHN CN1CC[C@@H]2CN(C(=O)c3ccc(C(C)(C)C#N)cc3)C[C@@H]21 ZINC000334675380 529797353 /nfs/dbraw/zinc/79/73/53/529797353.db2.gz LQTANQHHAZXIJA-ZBFHGGJFSA-N 0 3 297.402 2.264 20 30 CEEDHN C=CCOc1ccc(C(=O)NCCN2CCCCC2)cc1 ZINC000060665449 343662029 /nfs/dbraw/zinc/66/20/29/343662029.db2.gz ZTOQAOPLRPSLAI-UHFFFAOYSA-N 0 3 288.391 2.467 20 30 CEEDHN 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N#Cc1cccc(CN2CCC[C@H]([C@H]3CCOC3)C2)n1 ZINC000602483416 347055492 /nfs/dbraw/zinc/05/54/92/347055492.db2.gz GYYFDXCLRGIFFL-KBPBESRZSA-N 0 3 271.364 2.202 20 30 CEEDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1cccc(C#N)n1 ZINC000602507469 347060993 /nfs/dbraw/zinc/06/09/93/347060993.db2.gz JRSTZZLGEMUXKI-GOEBONIOSA-N 0 3 287.363 2.165 20 30 CEEDHN CN(C)[C@@H](CNCc1cccc(C#N)n1)Cc1ccccc1 ZINC000602502186 347059542 /nfs/dbraw/zinc/05/95/42/347059542.db2.gz FKSSFNUCBDEDKL-GOSISDBHSA-N 0 3 294.402 2.216 20 30 CEEDHN CN(C)Cc1ccccc1CNC(=O)CC(C)(C)C#N ZINC000278789208 344672307 /nfs/dbraw/zinc/67/23/07/344672307.db2.gz MNEJABZFCNSURG-UHFFFAOYSA-N 0 3 273.380 2.304 20 30 CEEDHN Cc1cc(CN)cc(NC(=O)C2(C#N)CC3(CC3)C2)c1 ZINC000602514695 347063790 /nfs/dbraw/zinc/06/37/90/347063790.db2.gz LMUDEMNLLFDUPE-UHFFFAOYSA-N 0 3 269.348 2.476 20 30 CEEDHN C[C@H](CC(=O)N(C)C)N[C@@H](C)c1cccc(C#N)c1 ZINC000312089178 344737266 /nfs/dbraw/zinc/73/72/66/344737266.db2.gz YGRZVWBSBVALPT-NEPJUHHUSA-N 0 3 259.353 2.076 20 30 CEEDHN N#Cc1ccc(OCCN2CCC[C@H](CO)CC2)cc1 ZINC000292986704 344690189 /nfs/dbraw/zinc/69/01/89/344690189.db2.gz BVDZNKPTQHPKMP-HNNXBMFYSA-N 0 3 274.364 2.031 20 30 CEEDHN C#CCCNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000367003189 344814765 /nfs/dbraw/zinc/81/47/65/344814765.db2.gz DHEXZIGCXDJDCD-SFHVURJKSA-N 0 3 299.418 2.221 20 30 CEEDHN CC(C)CC[C@@H](N)C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602574463 347084018 /nfs/dbraw/zinc/08/40/18/347084018.db2.gz VQANDTRDDIHGAZ-QGZVFWFLSA-N 0 3 299.418 2.401 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC(CCO)CC1 ZINC000401011758 344864826 /nfs/dbraw/zinc/86/48/26/344864826.db2.gz MSSKCZHPMRTQNQ-UHFFFAOYSA-N 0 3 258.365 2.461 20 30 CEEDHN C[C@H]1CN(CCCNC(=O)CCCCCC#N)CCCO1 ZINC000588721518 345053278 /nfs/dbraw/zinc/05/32/78/345053278.db2.gz GYKDNKXCVAFDAD-HNNXBMFYSA-N 0 3 295.427 2.078 20 30 CEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)CCCCCC#N)C1 ZINC000588756558 345054197 /nfs/dbraw/zinc/05/41/97/345054197.db2.gz XXLLKJQFJCASNB-HUUCEWRRSA-N 0 3 277.412 2.403 20 30 CEEDHN COC[C@@H]1CCCN(Cc2ccnc(C#N)c2)CC1 ZINC000590765606 345176917 /nfs/dbraw/zinc/17/69/17/345176917.db2.gz IOCQWMPMGIHQGJ-CYBMUJFWSA-N 0 3 259.353 2.202 20 30 CEEDHN CC(C)(CC#N)CNCc1ccc(S(C)(=O)=O)cc1 ZINC000590970656 345208057 /nfs/dbraw/zinc/20/80/57/345208057.db2.gz ZUMZLTSREZPUTL-UHFFFAOYSA-N 0 3 280.393 2.120 20 30 CEEDHN CO[C@@](C)([C@H](C)NCc1ccnc(C#N)c1)C1CC1 ZINC000591048561 345214183 /nfs/dbraw/zinc/21/41/83/345214183.db2.gz JSVUFQQVTMWOFT-NHYWBVRUSA-N 0 3 259.353 2.246 20 30 CEEDHN Cc1cc(C#N)ccc1CN(C[C@@H]1CCC(=O)N1)C(C)C ZINC000591056114 345215259 /nfs/dbraw/zinc/21/52/59/345215259.db2.gz HIRQXVMWIDXJNV-INIZCTEOSA-N 0 3 285.391 2.356 20 30 CEEDHN C[C@@H](Cc1cccc(O)c1)NC[C@H](C#N)CCC#N ZINC000591756658 345277174 /nfs/dbraw/zinc/27/71/74/345277174.db2.gz NHKUNAPTACQSKH-JSGCOSHPSA-N 0 3 257.337 2.356 20 30 CEEDHN N#Cc1cccc([N+](=O)[O-])c1N[C@H]1CCN(CC2CC2)C1 ZINC000591819913 345284466 /nfs/dbraw/zinc/28/44/66/345284466.db2.gz VTPNGZBTDQKUIW-ZDUSSCGKSA-N 0 3 286.335 2.363 20 30 CEEDHN CN(C)C1(CNC(=O)N2CCC(CCC#N)CC2)CCC1 ZINC000591971749 345307852 /nfs/dbraw/zinc/30/78/52/345307852.db2.gz LCTGTMHYELBTMR-UHFFFAOYSA-N 0 3 292.427 2.196 20 30 CEEDHN C=C(C)CN1CCC(NCc2nccs2)CC1 ZINC000592290942 345342520 /nfs/dbraw/zinc/34/25/20/345342520.db2.gz KCKIOSKKCBLPDB-UHFFFAOYSA-N 0 3 251.399 2.273 20 30 CEEDHN N#CC[C@@]1(O)CCN(Cc2cccc3cc[nH]c32)C1 ZINC000592521926 345365164 /nfs/dbraw/zinc/36/51/64/345365164.db2.gz DWOYHIABCKGSGK-OAHLLOKOSA-N 0 3 255.321 2.018 20 30 CEEDHN C[C@H](Cc1ccccc1)CN1CC[C@](O)(CC#N)C1 ZINC000592522563 345365446 /nfs/dbraw/zinc/36/54/46/345365446.db2.gz OQYSTTBVIPZDPR-GDBMZVCRSA-N 0 3 258.365 2.216 20 30 CEEDHN Cc1ccccc1C1(NCCC(=O)N(C)CCC#N)CC1 ZINC000592139818 345328215 /nfs/dbraw/zinc/32/82/15/345328215.db2.gz IPQKXDVKQHDCSE-UHFFFAOYSA-N 0 3 285.391 2.336 20 30 CEEDHN N#CC[C@@]1(O)CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000592150354 345330157 /nfs/dbraw/zinc/33/01/57/345330157.db2.gz DXTCEYXAZRKSGY-MRXNPFEDSA-N 0 3 256.349 2.026 20 30 CEEDHN CC(C#N)C(=O)NCC[C@H]1CSc2ccccc2O1 ZINC000592826183 345400450 /nfs/dbraw/zinc/40/04/50/345400450.db2.gz NJKLMAZSBJTOIK-QWRGUYRKSA-N 0 3 276.361 2.206 20 30 CEEDHN CC[C@@H](C#N)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000593495306 345498362 /nfs/dbraw/zinc/49/83/62/345498362.db2.gz WQYNMQNRBRYUEG-HOTGVXAUSA-N 0 3 285.391 2.269 20 30 CEEDHN CCC(C#N)C(=O)N=c1cc(C2CCCCC2)[nH][nH]1 ZINC000593509113 345501010 /nfs/dbraw/zinc/50/10/10/345501010.db2.gz SQGHVBQSJISIAU-SNVBAGLBSA-N 0 3 260.341 2.368 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC2(C#N)CCCC2)CC1 ZINC000593339584 345469069 /nfs/dbraw/zinc/46/90/69/345469069.db2.gz PXABPLAGOBKKJY-UHFFFAOYSA-N 0 3 290.411 2.020 20 30 CEEDHN C[C@@H](NC(=O)NCC1(C#N)CCCC1)C1=CCN(C)CC1 ZINC000593388993 345475306 /nfs/dbraw/zinc/47/53/06/345475306.db2.gz PIQPWOIQLVJOII-CYBMUJFWSA-N 0 3 290.411 2.020 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)NCC2(C#N)CCCC2)C1 ZINC000593431773 345484669 /nfs/dbraw/zinc/48/46/69/345484669.db2.gz UFCBAASNQMUBAD-AWEZNQCLSA-N 0 3 292.427 2.194 20 30 CEEDHN C[C@@H](N[C@H](CO)CCF)c1ccc(C#N)cc1F ZINC000593718371 345526693 /nfs/dbraw/zinc/52/66/93/345526693.db2.gz FUIBRSYBRDZYHO-KOLCDFICSA-N 0 3 254.280 2.068 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)CCCCC#N)CCN1C ZINC000593984387 345560450 /nfs/dbraw/zinc/56/04/50/345560450.db2.gz WIAMRQNEDZOUSC-CHWSQXEVSA-N 0 3 251.374 2.011 20 30 CEEDHN CN1CCC2(CCCN2C(=O)CCCCC#N)CC1 ZINC000594007597 345565034 /nfs/dbraw/zinc/56/50/34/345565034.db2.gz SVJHGXBSSLYUJF-UHFFFAOYSA-N 0 3 263.385 2.157 20 30 CEEDHN CCOC(=O)C[C@](C)(NC(=O)C(C#N)CC)C(C)C ZINC000593615412 345513943 /nfs/dbraw/zinc/51/39/43/345513943.db2.gz BMMDHTZWSWROCP-FZMZJTMJSA-N 0 3 268.357 2.020 20 30 CEEDHN CCCN(C(=O)C(C#N)CC)[C@@H](CC)C(=O)OCC ZINC000593650901 345516600 /nfs/dbraw/zinc/51/66/00/345516600.db2.gz IAMSLGMMMFHBRM-RYUDHWBXSA-N 0 3 268.357 2.116 20 30 CEEDHN N#Cc1cccc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000594201087 345597862 /nfs/dbraw/zinc/59/78/62/345597862.db2.gz NHNWBRNBXYGZOQ-HZPDHXFCSA-N 0 3 283.375 2.305 20 30 CEEDHN CN(C)[C@H](CNC(=O)CCCCC#N)Cc1ccccc1 ZINC000594227807 345601135 /nfs/dbraw/zinc/60/11/35/345601135.db2.gz YJYDTTOUKHILDE-INIZCTEOSA-N 0 3 287.407 2.359 20 30 CEEDHN CCNC(=O)[C@@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594493401 345637508 /nfs/dbraw/zinc/63/75/08/345637508.db2.gz LITKUTWGZPMMTM-GFCCVEGCSA-N 0 3 273.380 2.102 20 30 CEEDHN COc1ccc(NC(=O)[C@H](N)CCCCC#N)c(OC)c1 ZINC000594424358 345625301 /nfs/dbraw/zinc/62/53/01/345625301.db2.gz BNRJIVVSXMSVNP-GFCCVEGCSA-N 0 3 291.351 2.054 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000594426164 345625968 /nfs/dbraw/zinc/62/59/68/345625968.db2.gz PQDXVPZMNVPWIU-GHMZBOCLSA-N 0 3 291.317 2.199 20 30 CEEDHN COc1ccccc1NC(=O)[C@H](N)CCCCC#N ZINC000594426261 345626616 /nfs/dbraw/zinc/62/66/16/345626616.db2.gz ODSSSJJCICGDCF-LLVKDONJSA-N 0 3 261.325 2.045 20 30 CEEDHN COc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594427919 345627245 /nfs/dbraw/zinc/62/72/45/345627245.db2.gz XSTJUFQTZWHILC-CYBMUJFWSA-N 0 3 261.325 2.045 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCc1cc2ccccc2o1 ZINC000594427632 345627249 /nfs/dbraw/zinc/62/72/49/345627249.db2.gz IXDALAHXZRHZIT-AWEZNQCLSA-N 0 3 285.347 2.460 20 30 CEEDHN CCCN(CC(F)(F)F)C(=O)[C@H](N)CCCCC#N ZINC000594429348 345627732 /nfs/dbraw/zinc/62/77/32/345627732.db2.gz SXKLAGMPDHEULJ-SNVBAGLBSA-N 0 3 279.306 2.199 20 30 CEEDHN C[C@@H]1CCCC[C@H]1OCCNC(=O)[C@@H](N)CCCCC#N ZINC000594430170 345628800 /nfs/dbraw/zinc/62/88/00/345628800.db2.gz ZRJQZWZEHMGYQY-QLFBSQMISA-N 0 3 295.427 2.109 20 30 CEEDHN CC[C@@]1(C)CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594433750 345629074 /nfs/dbraw/zinc/62/90/74/345629074.db2.gz RYZJMHYKXLMQBI-JSGCOSHPSA-N 0 3 251.374 2.046 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000594433748 345629254 /nfs/dbraw/zinc/62/92/54/345629254.db2.gz RXOILIADJCOCIJ-PMPSAXMXSA-N 0 3 285.391 2.145 20 30 CEEDHN Cc1cc(C)cc(CCNC(=O)[C@H](N)CCCCC#N)c1 ZINC000594433762 345629280 /nfs/dbraw/zinc/62/92/80/345629280.db2.gz SGKMLNYRCBWJGJ-MRXNPFEDSA-N 0 3 287.407 2.373 20 30 CEEDHN CC[C@]1(C)CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594433752 345629465 /nfs/dbraw/zinc/62/94/65/345629465.db2.gz RYZJMHYKXLMQBI-TZMCWYRMSA-N 0 3 251.374 2.046 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CSc2ccccc21 ZINC000594434797 345630105 /nfs/dbraw/zinc/63/01/05/345630105.db2.gz TWMZBVSSKALFLE-CHWSQXEVSA-N 0 3 289.404 2.361 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCCc2ccccc2C1 ZINC000594434780 345630135 /nfs/dbraw/zinc/63/01/35/345630135.db2.gz SXLZOCQIHNBEQZ-MRXNPFEDSA-N 0 3 285.391 2.373 20 30 CEEDHN Cc1cc(F)ccc1CCNC(=O)[C@@H](N)CCCCC#N ZINC000594445722 345632914 /nfs/dbraw/zinc/63/29/14/345632914.db2.gz KOFHFOIIOYAMQN-HNNXBMFYSA-N 0 3 291.370 2.204 20 30 CEEDHN Cc1cc(N[C@@H]2CCCN3CCCC[C@@H]23)c(C#N)cn1 ZINC000594604363 345658494 /nfs/dbraw/zinc/65/84/94/345658494.db2.gz YPVCCHRHRBMWSS-ZBFHGGJFSA-N 0 3 270.380 2.112 20 30 CEEDHN N#Cc1cccc(-n2cc(CNC3CCCC3)nn2)c1 ZINC000594651827 345667112 /nfs/dbraw/zinc/66/71/12/345667112.db2.gz LLHRGVBFXPKSSK-UHFFFAOYSA-N 0 3 267.336 2.171 20 30 CEEDHN CN1CC=C(CNc2cccc(-n3cccn3)c2C#N)CC1 ZINC000594570220 345649400 /nfs/dbraw/zinc/64/94/00/345649400.db2.gz FLXBZFYUUKWGLB-UHFFFAOYSA-N 0 3 293.374 2.418 20 30 CEEDHN C=CCCSCCN[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000594708628 345675771 /nfs/dbraw/zinc/67/57/71/345675771.db2.gz AJVUTGCDLDBREZ-AWEZNQCLSA-N 0 3 296.411 2.121 20 30 CEEDHN CC[C@H](Cn1cncn1)NCC1(C#N)CCCCC1 ZINC000595092064 345741346 /nfs/dbraw/zinc/74/13/46/345741346.db2.gz VWQWCRBIIKVYFU-CYBMUJFWSA-N 0 3 261.373 2.120 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@H](C2CCCCC2)C1 ZINC000595255921 345749356 /nfs/dbraw/zinc/74/93/56/345749356.db2.gz FTPGZIBAJPJOIC-LSDHHAIUSA-N 0 3 277.412 2.436 20 30 CEEDHN COc1cc(C)c(C)cc1NC(=O)[C@@H](N)CCCC#N ZINC000595255662 345749410 /nfs/dbraw/zinc/74/94/10/345749410.db2.gz IBRNQJBGLNMBMR-LBPRGKRZSA-N 0 3 275.352 2.272 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCc2ccccc21 ZINC000595256848 345749662 /nfs/dbraw/zinc/74/96/62/345749662.db2.gz VGJBMLNFNIIAIC-HUUCEWRRSA-N 0 3 271.364 2.201 20 30 CEEDHN CC(C)N1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595290382 345755275 /nfs/dbraw/zinc/75/52/75/345755275.db2.gz ABMXKRNWKGCMAS-UHFFFAOYSA-N 0 3 257.381 2.127 20 30 CEEDHN Cn1ncc(C(F)(F)F)c1CNCCCCC#N ZINC000594923455 345703836 /nfs/dbraw/zinc/70/38/36/345703836.db2.gz YFROHQJCZQOOEH-UHFFFAOYSA-N 0 3 260.263 2.222 20 30 CEEDHN Cn1ncc(C2CCC2)c1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000594946618 345713578 /nfs/dbraw/zinc/71/35/78/345713578.db2.gz QXQAOLBZLKUEKN-DGCLKSJQSA-N 0 3 258.369 2.469 20 30 CEEDHN C[C@H](NCCc1ccc(C#N)cc1)c1nccn1C ZINC000595055207 345735616 /nfs/dbraw/zinc/73/56/16/345735616.db2.gz AUWFMTKEMQTGNW-LBPRGKRZSA-N 0 3 254.337 2.185 20 30 CEEDHN N#Cc1ccc(CN(CCOCCO)C2CCC2)cc1F ZINC000595593864 345820572 /nfs/dbraw/zinc/82/05/72/345820572.db2.gz AUQKCIRADMHFPD-UHFFFAOYSA-N 0 3 292.354 2.061 20 30 CEEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)[C@@H](C)CN1C ZINC000595407547 345775606 /nfs/dbraw/zinc/77/56/06/345775606.db2.gz IXLJMPDVAURHCV-KGLIPLIRSA-N 0 3 257.381 2.125 20 30 CEEDHN CCCCCN(CCc1ccc(C#N)cc1)CC(N)=O ZINC000595430487 345780769 /nfs/dbraw/zinc/78/07/69/345780769.db2.gz NMOLHJYYGOQZDT-UHFFFAOYSA-N 0 3 273.380 2.078 20 30 CEEDHN CC(C)[C@H]1CN(CCc2ccc(C#N)cc2)CCN1C ZINC000595460437 345788756 /nfs/dbraw/zinc/78/87/56/345788756.db2.gz HJHKFOOKCDBPBE-QGZVFWFLSA-N 0 3 271.408 2.373 20 30 CEEDHN CC(C)(C)N1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)C1 ZINC000595700317 345853357 /nfs/dbraw/zinc/85/33/57/345853357.db2.gz YWCFQGCQQCTKBQ-CYBMUJFWSA-N 0 3 292.427 2.194 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)C1 ZINC000595706242 345855330 /nfs/dbraw/zinc/85/53/30/345855330.db2.gz XWBHRYLRKDURHE-KBPBESRZSA-N 0 3 292.427 2.194 20 30 CEEDHN CN(CCC#N)C(=O)CCN1CCC(c2ccco2)CC1 ZINC000595616190 345828531 /nfs/dbraw/zinc/82/85/31/345828531.db2.gz QGBWJABHLDBKJM-UHFFFAOYSA-N 0 3 289.379 2.221 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)NCC(C)(C)CCC#N ZINC000595626975 345832016 /nfs/dbraw/zinc/83/20/16/345832016.db2.gz TUTAMMNQULONSX-CYBMUJFWSA-N 0 3 294.443 2.488 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@H]2COC[C@@H]2C1 ZINC000595828418 345887412 /nfs/dbraw/zinc/88/74/12/345887412.db2.gz DOVNGQCVOQVCSS-GJZGRUSLSA-N 0 3 272.348 2.035 20 30 CEEDHN N#Cc1cc(CN2CC[C@@H]3COC[C@@H]3C2)ccc1F ZINC000595830716 345888468 /nfs/dbraw/zinc/88/84/68/345888468.db2.gz LGWYKQBTARLBAY-OCCSQVGLSA-N 0 3 260.312 2.166 20 30 CEEDHN C[C@H](CCN1CC[C@@](C)(C#N)C1)N1CC[C@@](C)(C#N)C1 ZINC000595841992 345895708 /nfs/dbraw/zinc/89/57/08/345895708.db2.gz XMMFYELABDVAFG-PMPSAXMXSA-N 0 3 274.412 2.236 20 30 CEEDHN Cn1cc(C[C@H]2CCC[C@H]2NCC2(C#N)CC2)cn1 ZINC000595768728 345872013 /nfs/dbraw/zinc/87/20/13/345872013.db2.gz GQUVIILWPXDRQL-ZIAGYGMSSA-N 0 3 258.369 2.025 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)C[C@@H]1CC1(C)C ZINC000595911975 345912005 /nfs/dbraw/zinc/91/20/05/345912005.db2.gz IAHORDKSRFZCIK-SWLSCSKDSA-N 0 3 265.401 2.019 20 30 CEEDHN C[C@H]1CN(C)CC[C@H]1N(C)c1nc(C#N)c(Cl)s1 ZINC000596153304 345953903 /nfs/dbraw/zinc/95/39/03/345953903.db2.gz XQAWTDRBEJDVQO-WCBMZHEXSA-N 0 3 284.816 2.445 20 30 CEEDHN N#Cc1c(Cl)cccc1NCCCN1CCC(O)CC1 ZINC000596085252 345936161 /nfs/dbraw/zinc/93/61/61/345936161.db2.gz KXFINSNKXCSORA-UHFFFAOYSA-N 0 3 293.798 2.470 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)c1nc(C#N)c(Cl)s1 ZINC000596128442 345946451 /nfs/dbraw/zinc/94/64/51/345946451.db2.gz HYHONKTXYNPDGL-VIFPVBQESA-N 0 3 284.816 2.446 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)c1nc2ncccc2cc1C#N ZINC000596130170 345946462 /nfs/dbraw/zinc/94/64/62/345946462.db2.gz WEBBRXGXYCZYQN-CYBMUJFWSA-N 0 3 295.390 2.279 20 30 CEEDHN CCN1CCN(c2cc(C)c([N+](=O)[O-])c(C#N)c2)[C@@H](C)C1 ZINC000596231647 345975560 /nfs/dbraw/zinc/97/55/60/345975560.db2.gz REKAORZUCVBMQI-LBPRGKRZSA-N 0 3 288.351 2.305 20 30 CEEDHN Cc1cc(N2C[C@@H](C)N(C)[C@@H](C)C2)cc(C#N)c1[N+](=O)[O-] ZINC000596248314 345980154 /nfs/dbraw/zinc/98/01/54/345980154.db2.gz XETDBTVYNLLPEM-TXEJJXNPSA-N 0 3 288.351 2.304 20 30 CEEDHN CC(C)N1CC[C@H](N(C)c2nc3ncccc3cc2C#N)C1 ZINC000596266599 345985721 /nfs/dbraw/zinc/98/57/21/345985721.db2.gz 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/nfs/dbraw/zinc/24/68/56/346246856.db2.gz XGIYOCLXBBTLOE-INIZCTEOSA-N 0 3 285.391 2.091 20 30 CEEDHN CN(CCC(=O)N1CCC[C@@H](CC#N)C1)c1ccncc1 ZINC000597905573 346249866 /nfs/dbraw/zinc/24/98/66/346249866.db2.gz GELKNYZTSVYKRT-AWEZNQCLSA-N 0 3 286.379 2.060 20 30 CEEDHN CCN(C(=O)c1cc(C#N)ccc1Cl)[C@@H]1CCN(C)C1 ZINC000597943888 346255585 /nfs/dbraw/zinc/25/55/85/346255585.db2.gz AIQLFGGUPAMMJH-GFCCVEGCSA-N 0 3 291.782 2.378 20 30 CEEDHN CCN(C(=O)[C@@H](C#N)CCc1ccccc1)[C@H]1CCN(C)C1 ZINC000597946972 346256126 /nfs/dbraw/zinc/25/61/26/346256126.db2.gz UIXBZGIIBPPNQP-SJORKVTESA-N 0 3 299.418 2.312 20 30 CEEDHN COc1ccc(-c2cc(CNC(=O)C(C)C#N)on2)cc1 ZINC000598180343 346301666 /nfs/dbraw/zinc/30/16/66/346301666.db2.gz YQAPXOIWZICCNT-JTQLQIEISA-N 0 3 285.303 2.126 20 30 CEEDHN CC[C@H](C#N)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000598194314 346302528 /nfs/dbraw/zinc/30/25/28/346302528.db2.gz FHVVDFBOSONOQS-SJORKVTESA-N 0 3 299.418 2.312 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)C1(C#N)CC(C)C1 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Cc1n[nH]c(C)c1[C@@H]1CCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598601101 346381945 /nfs/dbraw/zinc/38/19/45/346381945.db2.gz ZDWFIEFOEQITDK-KBPBESRZSA-N 0 3 290.411 2.464 20 30 CEEDHN C=C[C@H](C)NCc1c(C)[nH]c(C(=O)OCC)c1C ZINC000598969763 346439095 /nfs/dbraw/zinc/43/90/95/346439095.db2.gz WOQQTEHKNDIDQR-VIFPVBQESA-N 0 3 250.342 2.472 20 30 CEEDHN COc1ccc(C#N)cc1N[C@H]1CCN(C)[C@@H](C)C1 ZINC000602592760 347091417 /nfs/dbraw/zinc/09/14/17/347091417.db2.gz SYDCQZHRMYALEK-AAEUAGOBSA-N 0 3 259.353 2.461 20 30 CEEDHN N#Cc1csc(CNC[C@@H]2CCCN2CC(F)F)c1 ZINC000598986440 346441953 /nfs/dbraw/zinc/44/19/53/346441953.db2.gz ADOCXRWNNDXWSJ-NSHDSACASA-N 0 3 285.363 2.439 20 30 CEEDHN CC(C)(C#N)c1ccc(CNC[C@H](O)[C@H]2CCCO2)cc1 ZINC000598989842 346442687 /nfs/dbraw/zinc/44/26/87/346442687.db2.gz CIULSGMJTAFTJJ-JKSUJKDBSA-N 0 3 288.391 2.117 20 30 CEEDHN CCc1cnccc1[C@@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC000599360987 346506948 /nfs/dbraw/zinc/50/69/48/346506948.db2.gz DEDKXRKPAXWJGU-TZMCWYRMSA-N 0 3 273.380 2.349 20 30 CEEDHN Cc1ccc(CN2CC[C@@H](O)C(C)(C)C2)cc1C#N ZINC000599382287 346510802 /nfs/dbraw/zinc/51/08/02/346510802.db2.gz KXTBUOCXQPRWRF-OAHLLOKOSA-N 0 3 258.365 2.460 20 30 CEEDHN CCNC(=O)[C@@H](NCc1ccc(C)c(C#N)c1)C(C)C ZINC000599427221 346516984 /nfs/dbraw/zinc/51/69/84/346516984.db2.gz HWHMHSZXNCQUHU-HNNXBMFYSA-N 0 3 273.380 2.117 20 30 CEEDHN CCO[C@@H](CN1CCN(c2ccccc2C#N)CC1)C1CC1 ZINC000599282232 346490715 /nfs/dbraw/zinc/49/07/15/346490715.db2.gz PSSJHGUAGYDOJP-SFHVURJKSA-N 0 3 299.418 2.495 20 30 CEEDHN COC(=O)[C@H]1CN(CCCCC#N)Cc2ccccc21 ZINC000599669393 346559083 /nfs/dbraw/zinc/55/90/83/346559083.db2.gz OYIMQJRATWRYBO-HNNXBMFYSA-N 0 3 272.348 2.453 20 30 CEEDHN Cc1ccc(CN2CC[C@H](C)[C@H](CO)C2)cc1C#N ZINC000599491003 346528446 /nfs/dbraw/zinc/52/84/46/346528446.db2.gz PHTAVLIRMBOFKQ-BBRMVZONSA-N 0 3 258.365 2.317 20 30 CEEDHN CO[C@H](CN1CCC(C)(C#N)CC1)C1CCOCC1 ZINC000602609859 347101220 /nfs/dbraw/zinc/10/12/20/347101220.db2.gz XTBZEVVUZOVXKR-CQSZACIVSA-N 0 3 266.385 2.054 20 30 CEEDHN CCN(C(=O)c1ccc(C#N)s1)C1CCN(C)CC1 ZINC000599986464 346589754 /nfs/dbraw/zinc/58/97/54/346589754.db2.gz UEDJFSYNOMDKRS-UHFFFAOYSA-N 0 3 277.393 2.176 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000600232679 346627615 /nfs/dbraw/zinc/62/76/15/346627615.db2.gz LOSUADFYKITLDQ-MKPLZMMCSA-N 0 3 298.264 2.197 20 30 CEEDHN C[C@H](CC#N)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000600230634 346627762 /nfs/dbraw/zinc/62/77/62/346627762.db2.gz XJRVJTNHYNOTIX-OCCSQVGLSA-N 0 3 263.385 2.059 20 30 CEEDHN CC[C@](C)(N)c1cn(-c2ccc(Cl)cc2C#N)nn1 ZINC000600975761 346724250 /nfs/dbraw/zinc/72/42/50/346724250.db2.gz JQBZHZKBGVJEGQ-ZDUSSCGKSA-N 0 3 275.743 2.376 20 30 CEEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1nc2ccccc2[nH]1 ZINC000600719897 346677675 /nfs/dbraw/zinc/67/76/75/346677675.db2.gz XGAQHKDSRWRGAL-NEPJUHHUSA-N 0 3 284.363 2.268 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CNc3ccccc3C2)o1 ZINC000600770154 346686957 /nfs/dbraw/zinc/68/69/57/346686957.db2.gz VVXABQKQWHYKJO-GFCCVEGCSA-N 0 3 253.305 2.278 20 30 CEEDHN N#Cc1ccc(N2CCN(CCc3cccs3)CC2)cn1 ZINC000267356259 136604355 /nfs/dbraw/zinc/60/43/55/136604355.db2.gz HJASFYCMVCGBBS-UHFFFAOYSA-N 0 3 298.415 2.379 20 30 CEEDHN N#C[C@H]1CC[C@H](n2cc(CCN3CCCCC3)nn2)C1 ZINC000600812790 346694967 /nfs/dbraw/zinc/69/49/67/346694967.db2.gz FXAXUJGTIRMHOI-ZFWWWQNUSA-N 0 3 273.384 2.171 20 30 CEEDHN N#Cc1cccc(N2CCN(C3CCCCC3)CC2)n1 ZINC000268844184 136608285 /nfs/dbraw/zinc/60/82/85/136608285.db2.gz PEMWZRYKEFPILF-UHFFFAOYSA-N 0 3 270.380 2.408 20 30 CEEDHN C[C@H]1C[C@H](Nc2ncc(C#N)c3ccsc32)CCN1C ZINC000601119824 346758489 /nfs/dbraw/zinc/75/84/89/346758489.db2.gz WVPJGUYGSKXPGL-CMPLNLGQSA-N 0 3 286.404 2.484 20 30 CEEDHN N#CCc1ccccc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000601126418 346761518 /nfs/dbraw/zinc/76/15/18/346761518.db2.gz YIEBXVTTWHTBHU-INIZCTEOSA-N 0 3 297.402 2.453 20 30 CEEDHN C=CCOc1ccccc1CNCC[C@@H](C)[S@](C)=O ZINC000129381762 365852171 /nfs/dbraw/zinc/85/21/71/365852171.db2.gz ZELMYKOOLQZANB-BFUOFWGJSA-N 0 3 281.421 2.498 20 30 CEEDHN CCN1CCC(Nc2ncc(C#N)c3ccsc32)CC1 ZINC000601101741 346753194 /nfs/dbraw/zinc/75/31/94/346753194.db2.gz XLJRDBRPUAIJHQ-UHFFFAOYSA-N 0 3 286.404 2.486 20 30 CEEDHN Cc1ccc(C#N)c(Nc2cnn(C3CCN(C)CC3)c2)n1 ZINC000601225577 346794833 /nfs/dbraw/zinc/79/48/33/346794833.db2.gz GVKGYTDRGSYZMV-UHFFFAOYSA-N 0 3 296.378 2.469 20 30 CEEDHN N#Cc1cccc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)n1 ZINC000602671703 347135242 /nfs/dbraw/zinc/13/52/42/347135242.db2.gz UHUIFOVLWNRUAK-ZWKOTPCHSA-N 0 3 293.370 2.209 20 30 CEEDHN Cc1ncsc1CCNCc1cccc(C#N)n1 ZINC000602677340 347139422 /nfs/dbraw/zinc/13/94/22/347139422.db2.gz XUVGYCBURYFWLA-UHFFFAOYSA-N 0 3 258.350 2.051 20 30 CEEDHN COCC1CCC(NCc2cccc(C#N)n2)CC1 ZINC000602688505 347147846 /nfs/dbraw/zinc/14/78/46/347147846.db2.gz BLSLGHQMLCYDEZ-UHFFFAOYSA-N 0 3 259.353 2.248 20 30 CEEDHN C[C@H](CCC#N)CN[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000602689425 347148420 /nfs/dbraw/zinc/14/84/20/347148420.db2.gz HNBBJXMCLMKBED-DOMZBBRYSA-N 0 3 289.354 2.460 20 30 CEEDHN C[C@@H](CCC#N)CNCC(=O)Nc1cccc(F)c1 ZINC000602665409 347131560 /nfs/dbraw/zinc/13/15/60/347131560.db2.gz IWVHNIUPBHBQPX-NSHDSACASA-N 0 3 263.316 2.294 20 30 CEEDHN N#CCC1(CN2CCC(CN3CCCCC3=O)CC2)CC1 ZINC000602792501 347199942 /nfs/dbraw/zinc/19/99/42/347199942.db2.gz AFIUUMBKSLQNBJ-UHFFFAOYSA-N 0 3 289.423 2.405 20 30 CEEDHN COc1ccc([C@@H](CCO)NCC2(CC#N)CC2)cc1 ZINC000602797970 347202828 /nfs/dbraw/zinc/20/28/28/347202828.db2.gz DTHHRQMUBDQYQE-OAHLLOKOSA-N 0 3 274.364 2.402 20 30 CEEDHN COc1ccc([C@H](CCO)NCC2(CC#N)CC2)cc1 ZINC000602797968 347203240 /nfs/dbraw/zinc/20/32/40/347203240.db2.gz DTHHRQMUBDQYQE-HNNXBMFYSA-N 0 3 274.364 2.402 20 30 CEEDHN Cc1ccsc1[C@@H](CO)NCC1(CC#N)CC1 ZINC000602809613 347208395 /nfs/dbraw/zinc/20/83/95/347208395.db2.gz AKWRGVREAYZAFF-LLVKDONJSA-N 0 3 250.367 2.373 20 30 CEEDHN C[C@H](Cc1ccccc1)CN1CCN(CCC#N)CC1 ZINC000602748082 347183544 /nfs/dbraw/zinc/18/35/44/347183544.db2.gz KDYPNVLXAKRJDC-MRXNPFEDSA-N 0 3 271.408 2.396 20 30 CEEDHN CCOC(=O)CC1CCN(CC2(CC#N)CC2)CC1 ZINC000602763278 347187630 /nfs/dbraw/zinc/18/76/30/347187630.db2.gz QICPJFZZAPALTL-UHFFFAOYSA-N 0 3 264.369 2.345 20 30 CEEDHN N#CCC1(CN2CCC(CC(=O)N3CCCC3)CC2)CC1 ZINC000602764794 347188417 /nfs/dbraw/zinc/18/84/17/347188417.db2.gz XSXUWBRPDFNBKI-UHFFFAOYSA-N 0 3 289.423 2.405 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](C)C[C@H]1CO ZINC000602932508 347251519 /nfs/dbraw/zinc/25/15/19/347251519.db2.gz ZAGQAKPESKZJAX-WBMJQRKESA-N 0 3 258.365 2.460 20 30 CEEDHN N#Cc1cnccc1CN1CCCN(c2ccncc2)CC1 ZINC000602847782 347223521 /nfs/dbraw/zinc/22/35/21/347223521.db2.gz KNMKGMGTRMBXQP-UHFFFAOYSA-N 0 3 293.374 2.061 20 30 CEEDHN CCN1CCCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000603083000 347284393 /nfs/dbraw/zinc/28/43/93/347284393.db2.gz WDRPIHCTYHYBQZ-UHFFFAOYSA-N 0 3 290.342 2.257 20 30 CEEDHN N#Cc1ccccc1Cn1cc(CCN2CCCCC2)nn1 ZINC000603171481 347301588 /nfs/dbraw/zinc/30/15/88/347301588.db2.gz AUMGSZLZFUNQRF-UHFFFAOYSA-N 0 3 295.390 2.226 20 30 CEEDHN CO[C@H]1CN(CCC2(C#N)CCCCC2)[C@](C)(CO)C1 ZINC000602961810 347257491 /nfs/dbraw/zinc/25/74/91/347257491.db2.gz DLLQUHJDUPVGQT-CABCVRRESA-N 0 3 280.412 2.322 20 30 CEEDHN CC(C)(C)[C@@H](N)c1cn(Cc2cc(F)ccc2C#N)nn1 ZINC000603219948 347312728 /nfs/dbraw/zinc/31/27/28/347312728.db2.gz LFFGUNGZAJWKQA-AWEZNQCLSA-N 0 3 287.342 2.383 20 30 CEEDHN CCC[C@@H](N)c1cn(CCCC2(C#N)CCOCC2)nn1 ZINC000603232136 347317402 /nfs/dbraw/zinc/31/74/02/347317402.db2.gz DQIADNWZLQTRQI-CYBMUJFWSA-N 0 3 291.399 2.179 20 30 CEEDHN N#Cc1ccccc1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000603847971 347391876 /nfs/dbraw/zinc/39/18/76/347391876.db2.gz ICFQAGKVTCQHSX-GOSISDBHSA-N 0 3 299.418 2.245 20 30 CEEDHN CN(CCCC#N)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000603873646 347394210 /nfs/dbraw/zinc/39/42/10/347394210.db2.gz QWHRODUWFORRNR-UHFFFAOYSA-N 0 3 271.364 2.314 20 30 CEEDHN CC(C)C[C@H](C#N)NC(=O)[C@H](C)N1CCCCCC1 ZINC000609847908 347652363 /nfs/dbraw/zinc/65/23/63/347652363.db2.gz NAWAOUNQERBYQW-UONOGXRCSA-N 0 3 265.401 2.305 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000609843616 347652562 /nfs/dbraw/zinc/65/25/62/347652562.db2.gz NSUOZKGHQZPDMN-CMPLNLGQSA-N 0 3 272.304 2.238 20 30 CEEDHN CC(C)[C@H](NCc1cc(C#N)cs1)C(=O)N1CCCC1 ZINC000610488799 347684657 /nfs/dbraw/zinc/68/46/57/347684657.db2.gz ZIRRVLAHMKJRNG-AWEZNQCLSA-N 0 3 291.420 2.356 20 30 CEEDHN CC[C@H]1CN(C)c2ccccc2CN1C(=O)C(C)C#N ZINC000610672777 347700209 /nfs/dbraw/zinc/70/02/09/347700209.db2.gz FEJRJCBANVBTQZ-JSGCOSHPSA-N 0 3 271.364 2.403 20 30 CEEDHN CO[C@@H](CNC(=O)C(C)C#N)c1ccccc1Cl ZINC000610791593 347715690 /nfs/dbraw/zinc/71/56/90/347715690.db2.gz COPOFCKLASARLE-SKDRFNHKSA-N 0 3 266.728 2.303 20 30 CEEDHN N#Cc1cc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)ccn1 ZINC000610998298 347731164 /nfs/dbraw/zinc/73/11/64/347731164.db2.gz JZFFUKPHRGFZNQ-HUUCEWRRSA-N 0 3 271.364 2.202 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612137706 347848209 /nfs/dbraw/zinc/84/82/09/347848209.db2.gz RFMNVQDNDMYUBB-HOCLYGCPSA-N 0 3 292.427 2.196 20 30 CEEDHN C[C@H]1CCC[C@]1(O)CNCc1cc(C#N)cs1 ZINC000336885838 365932190 /nfs/dbraw/zinc/93/21/90/365932190.db2.gz BAPPTTPUUNXCFR-GWCFXTLKSA-N 0 3 250.367 2.260 20 30 CEEDHN N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000613422836 348043469 /nfs/dbraw/zinc/04/34/69/348043469.db2.gz DOHMAHXBCKZYAS-CYBMUJFWSA-N 0 3 286.335 2.363 20 30 CEEDHN CNC(=O)CCN(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614164676 348152902 /nfs/dbraw/zinc/15/29/02/348152902.db2.gz PIASWESUPRWYLK-UHFFFAOYSA-N 0 3 273.380 2.056 20 30 CEEDHN Cc1cc(C#N)ccc1CN1C[C@@H](C)N(C)C[C@@H]1C ZINC000614403105 348193656 /nfs/dbraw/zinc/19/36/56/348193656.db2.gz DHPXECUWAIOIHC-KGLIPLIRSA-N 0 3 257.381 2.391 20 30 CEEDHN CCS(=O)(=O)CCCN[C@H](C)c1ccc(C#N)cc1 ZINC000086973833 179371585 /nfs/dbraw/zinc/37/15/85/179371585.db2.gz SFYBMSFNCAZFIJ-GFCCVEGCSA-N 0 3 280.393 2.034 20 30 CEEDHN CC[C@@](C)(O)CNC1CC(C#N)(c2ccccc2)C1 ZINC000087011880 179379255 /nfs/dbraw/zinc/37/92/55/179379255.db2.gz AOCLTGZCGCLXCS-HWOWSKLDSA-N 0 3 258.365 2.361 20 30 CEEDHN CC[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)NCC#N ZINC000066497057 362870271 /nfs/dbraw/zinc/87/02/71/362870271.db2.gz JMBXLFNOGUUQHK-JKSUJKDBSA-N 0 3 285.391 2.284 20 30 CEEDHN C#CCN1CCC(C(=O)NCC2CCC(C)CC2)CC1 ZINC000066922200 362893107 /nfs/dbraw/zinc/89/31/07/362893107.db2.gz BYVBUMNIHDELAQ-UHFFFAOYSA-N 0 3 276.424 2.274 20 30 CEEDHN CCN(C)CCNc1ncc(Cl)c(C)c1C#N ZINC000273377980 192131884 /nfs/dbraw/zinc/13/18/84/192131884.db2.gz SNVVNRVRFTXGNO-UHFFFAOYSA-N 0 3 252.749 2.279 20 30 CEEDHN CC(C)(C)OCCCCN1CCN(CCC#N)CC1 ZINC000616111876 348442547 /nfs/dbraw/zinc/44/25/47/348442547.db2.gz RWRISJYZBBEVLU-UHFFFAOYSA-N 0 3 267.417 2.113 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000617779218 348789319 /nfs/dbraw/zinc/78/93/19/348789319.db2.gz XGCZNYAYIBDGOW-ZIAGYGMSSA-N 0 3 250.386 2.143 20 30 CEEDHN Cc1cc(C#N)ccc1CN(C)[C@@H](CO)COC(C)C ZINC000617897712 348814118 /nfs/dbraw/zinc/81/41/18/348814118.db2.gz XPDVCVQWLFLSPF-INIZCTEOSA-N 0 3 276.380 2.084 20 30 CEEDHN C[C@H]1[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)CCCN1C ZINC000357472657 233077612 /nfs/dbraw/zinc/07/76/12/233077612.db2.gz KDBCMWVGSDCCCK-GWCFXTLKSA-N 0 3 274.324 2.361 20 30 CEEDHN C=CCC1(NC(=O)[C@@H](CC)N(CC)CC)CCOCC1 ZINC000618248061 348906060 /nfs/dbraw/zinc/90/60/60/348906060.db2.gz SQCUUVQPYDUTLA-CQSZACIVSA-N 0 3 282.428 2.348 20 30 CEEDHN COCC[C@]1(NCc2ccc(C#N)cc2C)CCOC1 ZINC000618550991 348973758 /nfs/dbraw/zinc/97/37/58/348973758.db2.gz IZQKDTSYFIEPQQ-INIZCTEOSA-N 0 3 274.364 2.152 20 30 CEEDHN N#Cc1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000359941766 233170397 /nfs/dbraw/zinc/17/03/97/233170397.db2.gz OIISUTRVNSCZOX-HNNXBMFYSA-N 0 3 284.363 2.260 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000618990852 349089368 /nfs/dbraw/zinc/08/93/68/349089368.db2.gz QJCOPTGHKPFOEQ-GJZGRUSLSA-N 0 3 282.428 2.204 20 30 CEEDHN C[C@@H]1CN(Cc2cn3ccccc3c2C#N)C[C@H](C)N1C ZINC000339618311 215271468 /nfs/dbraw/zinc/27/14/68/215271468.db2.gz HNRYJETWAPUDJH-OKILXGFUSA-N 0 3 282.391 2.335 20 30 CEEDHN C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(C(C)(C)C#N)cc1 ZINC000619655479 349210913 /nfs/dbraw/zinc/21/09/13/349210913.db2.gz GXJPOYPHDYKECP-SWLSCSKDSA-N 0 3 285.391 2.102 20 30 CEEDHN C[C@@H](C#N)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000619675198 349215780 /nfs/dbraw/zinc/21/57/80/349215780.db2.gz UFYHEUYERSRZMW-AWEZNQCLSA-N 0 3 277.412 2.309 20 30 CEEDHN CC[C@H](C(=O)NCc1ccc(C#N)c(Cl)c1)N(C)C ZINC000619780230 349235031 /nfs/dbraw/zinc/23/50/31/349235031.db2.gz HSKUVHITKZXMEP-CYBMUJFWSA-N 0 3 279.771 2.168 20 30 CEEDHN CCN1CCN(CCCC2(C#N)CCOCC2)C[C@@H]1C ZINC000619621008 349205726 /nfs/dbraw/zinc/20/57/26/349205726.db2.gz GQTLCJJVYTZDQC-HNNXBMFYSA-N 0 3 279.428 2.113 20 30 CEEDHN C#CCOc1ccc(CN2CCC(O)(CC)CC2)cc1 ZINC000271208868 191002003 /nfs/dbraw/zinc/00/20/03/191002003.db2.gz SVERJCFPXSKMBV-UHFFFAOYSA-N 0 3 273.376 2.436 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1snc(Cl)c1C#N ZINC000271294819 191057143 /nfs/dbraw/zinc/05/71/43/191057143.db2.gz FLJPXAKIXGDFQI-PSASIEDQSA-N 0 3 284.816 2.445 20 30 CEEDHN CC[C@H](C)N1CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000130456055 365959420 /nfs/dbraw/zinc/95/94/20/365959420.db2.gz WKELZHNBCLGRGA-AWEZNQCLSA-N 0 3 287.407 2.483 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000624784108 350361416 /nfs/dbraw/zinc/36/14/16/350361416.db2.gz GJZZZGNEOILLFR-AWEZNQCLSA-N 0 3 265.401 2.221 20 30 CEEDHN CCN(CCC(=O)OC)Cc1cc(C#N)cs1 ZINC000092380247 180372188 /nfs/dbraw/zinc/37/21/88/180372188.db2.gz JJJJCGHVPDXRPX-UHFFFAOYSA-N 0 3 252.339 2.005 20 30 CEEDHN CC(C)[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)N(C)C ZINC000106904819 186148753 /nfs/dbraw/zinc/14/87/53/186148753.db2.gz YXIPTOCCJLFPAJ-IUODEOHRSA-N 0 3 273.380 2.322 20 30 CEEDHN C=CCc1cc(CN2CCC[C@@H]2CO)cc(OC)c1O ZINC000092470824 180392887 /nfs/dbraw/zinc/39/28/87/180392887.db2.gz YAWXIIJKRGWUDU-CQSZACIVSA-N 0 3 277.364 2.086 20 30 CEEDHN CCN(Cc1ccc(C#N)cc1OC(F)F)C[C@@H](C)O ZINC000352223409 219368724 /nfs/dbraw/zinc/36/87/24/219368724.db2.gz VVVWQIBBKYOVKW-SNVBAGLBSA-N 0 3 284.306 2.362 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000625699668 350549090 /nfs/dbraw/zinc/54/90/90/350549090.db2.gz CGCKQHRWZYYZDT-PMPSAXMXSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)NCCc2ccc(F)cc2)C1 ZINC000625699733 350549212 /nfs/dbraw/zinc/54/92/12/350549212.db2.gz GJRLLQKLEININM-HNNXBMFYSA-N 0 3 290.382 2.382 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)NCc2ccccc2)C1 ZINC000625704541 350551894 /nfs/dbraw/zinc/55/18/94/350551894.db2.gz VAFMZFUZUSWIAK-OAHLLOKOSA-N 0 3 258.365 2.201 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000110250504 186288518 /nfs/dbraw/zinc/28/85/18/186288518.db2.gz KQJSILTUNICRET-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCN(CCC(=O)N(C)CCC#N)Cc1ccccc1 ZINC000130968874 366009393 /nfs/dbraw/zinc/00/93/93/366009393.db2.gz WPVIQWSGUBKNBC-UHFFFAOYSA-N 0 3 285.391 2.437 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000627078349 350827707 /nfs/dbraw/zinc/82/77/07/350827707.db2.gz NMWFQRDPDZDPRA-HIFRSBDPSA-N 0 3 273.380 2.294 20 30 CEEDHN CN1CCC2(CCCN2C(=O)c2cscc2C#N)CC1 ZINC000334543351 282735781 /nfs/dbraw/zinc/73/57/81/282735781.db2.gz GQEGTSMBHXCFHG-UHFFFAOYSA-N 0 3 289.404 2.320 20 30 CEEDHN C=CCOCCCNCc1cnc2ccccc2n1 ZINC000628339178 351067723 /nfs/dbraw/zinc/06/77/23/351067723.db2.gz HEWYWSFPYLLJQY-UHFFFAOYSA-N 0 3 257.337 2.312 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)c1ccc(C#N)c(Cl)n1 ZINC000291374683 198003531 /nfs/dbraw/zinc/00/35/31/198003531.db2.gz AUZKGUHIVJTJGW-UHFFFAOYSA-N 0 3 294.786 2.019 20 30 CEEDHN C=CCN1CC[C@H](N[C@H]2C[C@@H](OCC)C2(CC)CC)C1=O ZINC000337182890 366057953 /nfs/dbraw/zinc/05/79/53/366057953.db2.gz BMKUHYLLJWWOQZ-SOUVJXGZSA-N 0 3 294.439 2.347 20 30 CEEDHN N#Cc1ccc(CNC[C@@H]2CSCCS2)cc1 ZINC000122374062 187029099 /nfs/dbraw/zinc/02/90/99/187029099.db2.gz ABJQRAQJJHQJCZ-CYBMUJFWSA-N 0 3 264.419 2.496 20 30 CEEDHN C#CCN1CCC(C(=O)NCc2ccccc2CC)CC1 ZINC000122599061 187040895 /nfs/dbraw/zinc/04/08/95/187040895.db2.gz MCLYFMNCJHBAEK-UHFFFAOYSA-N 0 3 284.403 2.210 20 30 CEEDHN CO[C@@]1(CN[C@H](C)c2ccc(C#N)cc2)CCOC1 ZINC000122839601 187054713 /nfs/dbraw/zinc/05/47/13/187054713.db2.gz KUMKGATWZZEFFV-IUODEOHRSA-N 0 3 260.337 2.014 20 30 CEEDHN C[C@H](NCc1ccc(C#N)o1)[C@H](O)Cc1ccccc1 ZINC000123244424 187080210 /nfs/dbraw/zinc/08/02/10/187080210.db2.gz ADXVMLCVBBFFJG-BLLLJJGKSA-N 0 3 270.332 2.233 20 30 CEEDHN CCCCOCCNCc1cnc2ccc(C#N)cn12 ZINC000123498608 187095636 /nfs/dbraw/zinc/09/56/36/187095636.db2.gz IUOQQEKQPGBJIY-UHFFFAOYSA-N 0 3 272.352 2.112 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2cccc(C)n2)CC1 ZINC000123630312 187101537 /nfs/dbraw/zinc/10/15/37/187101537.db2.gz DTHNOHMGKJKPLA-UHFFFAOYSA-N 0 3 274.368 2.162 20 30 CEEDHN CC(C)N(CCOc1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000291948636 198113977 /nfs/dbraw/zinc/11/39/77/198113977.db2.gz UMUAAMOJPNEOBQ-OAHLLOKOSA-N 0 3 274.364 2.436 20 30 CEEDHN C=CCCOCCN[C@H](COC)Cc1ccccc1 ZINC000271570632 191217800 /nfs/dbraw/zinc/21/78/00/191217800.db2.gz VTHYWBLEPCQGGL-INIZCTEOSA-N 0 3 263.381 2.426 20 30 CEEDHN CCCCCN(CCCC1(C#N)CCOCC1)CC(N)=O ZINC000337217061 366083999 /nfs/dbraw/zinc/08/39/99/366083999.db2.gz ZXDHKZLYQPTKNW-UHFFFAOYSA-N 0 3 295.427 2.064 20 30 CEEDHN N#Cc1ccc(O[C@@H]2CCN(CCCCF)C2)nc1 ZINC000292158119 198185310 /nfs/dbraw/zinc/18/53/10/198185310.db2.gz KSIIGXRUJGNVQC-CYBMUJFWSA-N 0 3 263.316 2.156 20 30 CEEDHN COc1ccc(CN2CCC[C@@H]2C[C@H](C)O)cc1C#N ZINC000152906221 188052323 /nfs/dbraw/zinc/05/23/23/188052323.db2.gz CMGLANKWYWVGFP-SWLSCSKDSA-N 0 3 274.364 2.302 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)[C@@H](N)CCC ZINC000155689970 188221444 /nfs/dbraw/zinc/22/14/44/188221444.db2.gz FWHKZIAWJHEMHB-HNNXBMFYSA-N 0 3 260.381 2.371 20 30 CEEDHN C[C@@H]1C[C@H](N(C)CC#N)CCN1Cc1ccccc1 ZINC000156977856 188290572 /nfs/dbraw/zinc/29/05/72/188290572.db2.gz HYPXRSXOKYLWPU-GDBMZVCRSA-N 0 3 257.381 2.495 20 30 CEEDHN CNc1ccc(C#N)cc1NC(=O)CC1CCN(C)CC1 ZINC000292677247 198372120 /nfs/dbraw/zinc/37/21/20/198372120.db2.gz BLHJHFCGLRFIPB-UHFFFAOYSA-N 0 3 286.379 2.270 20 30 CEEDHN C[C@@H](NC(=O)C1CCN(C)CC1)c1cccc(C#N)c1 ZINC000074218139 363310015 /nfs/dbraw/zinc/31/00/15/363310015.db2.gz IDNBRBPGMMQBGT-GFCCVEGCSA-N 0 3 271.364 2.077 20 30 CEEDHN C[C@@H](O)CN1CCN(CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000337416226 366148703 /nfs/dbraw/zinc/14/87/03/366148703.db2.gz NTMXMVZWIWLFPD-LSDHHAIUSA-N 0 3 281.444 2.093 20 30 CEEDHN N#CC1(c2ccccc2)CC(NC[C@@H]2CCCO2)C1 ZINC000086036242 283049322 /nfs/dbraw/zinc/04/93/22/283049322.db2.gz DTMYOAZWYARBKG-PCKAHOCUSA-N 0 3 256.349 2.379 20 30 CEEDHN Cc1csc(=O)n1CCNC1(c2cccc(C#N)c2)CC1 ZINC000271766520 191313503 /nfs/dbraw/zinc/31/35/03/191313503.db2.gz JASDCOZSKPVYKW-UHFFFAOYSA-N 0 3 299.399 2.369 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2ccccc2OC)CC1 ZINC000171726831 188756137 /nfs/dbraw/zinc/75/61/37/188756137.db2.gz UAVSGHVYLUTOPQ-UHFFFAOYSA-N 0 3 288.391 2.004 20 30 CEEDHN C=CCCOCC(=O)Nc1ccccc1CCN(C)C ZINC000682114777 540071434 /nfs/dbraw/zinc/07/14/34/540071434.db2.gz GGHDDABHHKHIDQ-UHFFFAOYSA-N 0 3 276.380 2.322 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000683527736 540197647 /nfs/dbraw/zinc/19/76/47/540197647.db2.gz FDAWBTPCMZVGSA-QGZVFWFLSA-N 0 3 289.419 2.241 20 30 CEEDHN N#Cc1ccc(CN2CCN([C@H]3CCSC3)CC2)cc1 ZINC000365877685 283140787 /nfs/dbraw/zinc/14/07/87/283140787.db2.gz XSBYAKMGBSHXNE-INIZCTEOSA-N 0 3 287.432 2.181 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000352830227 283147947 /nfs/dbraw/zinc/14/79/47/283147947.db2.gz CFSTYYRZYPQSIK-NSHDSACASA-N 0 3 270.254 2.456 20 30 CEEDHN C=CCOCCNCc1ccnn1-c1ccccc1 ZINC000684110572 540225551 /nfs/dbraw/zinc/22/55/51/540225551.db2.gz YDWUDADSCXZNSC-UHFFFAOYSA-N 0 3 257.337 2.165 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000133648402 366243293 /nfs/dbraw/zinc/24/32/93/366243293.db2.gz YZWHZKFUEATXHO-RDJZCZTQSA-N 0 3 297.402 2.423 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1C ZINC000076116372 363523491 /nfs/dbraw/zinc/52/34/91/363523491.db2.gz NIDCRUFKSFQOEP-LBPRGKRZSA-N 0 3 260.337 2.430 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(C(N)=O)cc1)CC2 ZINC000353277706 283197021 /nfs/dbraw/zinc/19/70/21/283197021.db2.gz VHVIOMNWECKJJH-KRWDZBQOSA-N 0 3 291.354 2.434 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@@H]1C1CCCCC1 ZINC000076749163 363543694 /nfs/dbraw/zinc/54/36/94/363543694.db2.gz PEAGFYPHFAMTLS-CQSZACIVSA-N 0 3 293.411 2.043 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CNCCC1(F)F)CC2 ZINC000335365109 283199406 /nfs/dbraw/zinc/19/94/06/283199406.db2.gz YEANPJOHAFEZEE-KGLIPLIRSA-N 0 3 277.318 2.132 20 30 CEEDHN N#Cc1cnn2cc(CNC[C@H]3CCCC3(F)F)cnc12 ZINC000575803400 366360333 /nfs/dbraw/zinc/36/03/33/366360333.db2.gz LYYGKDMJXMPGEQ-GFCCVEGCSA-N 0 3 291.305 2.126 20 30 CEEDHN C=CCOc1ccccc1CN(C)CC1CC(O)C1 ZINC000443851515 538847313 /nfs/dbraw/zinc/84/73/13/538847313.db2.gz IGDOAVNKJTYVNN-UHFFFAOYSA-N 0 3 261.365 2.454 20 30 CEEDHN CN(C)CCNC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000141631713 538893679 /nfs/dbraw/zinc/89/36/79/538893679.db2.gz HASVEQXCGAYQDI-UHFFFAOYSA-N 0 3 292.382 2.378 20 30 CEEDHN N#Cc1cnnc(N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000307104512 540335474 /nfs/dbraw/zinc/33/54/74/540335474.db2.gz GGCXGDASTMSXQL-HNNXBMFYSA-N 0 3 279.347 2.035 20 30 CEEDHN CCC[C@H](C)[C@@H](CO)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000577757403 366393917 /nfs/dbraw/zinc/39/39/17/366393917.db2.gz WRDBRDOQABILCD-SMDDNHRTSA-N 0 3 291.351 2.353 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@@H](C)N(C)[C@H](C)C1 ZINC000135269376 366420147 /nfs/dbraw/zinc/42/01/47/366420147.db2.gz DLRJDHWSRXCUCH-CHWSQXEVSA-N 0 3 273.380 2.091 20 30 CEEDHN C=CCOCCCC(=O)NC1CCN(CC(=C)C)CC1 ZINC000080080056 363643054 /nfs/dbraw/zinc/64/30/54/363643054.db2.gz CYTVSQUGIHDLHF-UHFFFAOYSA-N 0 3 280.412 2.126 20 30 CEEDHN COCC#CCN[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000672576838 540628140 /nfs/dbraw/zinc/62/81/40/540628140.db2.gz WWUPKZFWJDVCNZ-ZDUSSCGKSA-N 0 3 277.364 2.313 20 30 CEEDHN Cc1c(C#N)c(N(C)CCN(C)C)nc2ccccc12 ZINC000297376120 200168649 /nfs/dbraw/zinc/16/86/49/200168649.db2.gz DBFNEVYNXKKWJK-UHFFFAOYSA-N 0 3 268.364 2.413 20 30 CEEDHN N#CCCOCCN1CCC[C@H](c2nccs2)C1 ZINC000338946996 366583446 /nfs/dbraw/zinc/58/34/46/366583446.db2.gz CPQBHVRBHIXBNQ-LBPRGKRZSA-N 0 3 265.382 2.253 20 30 CEEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1CCCNC1=O ZINC000579088688 366591030 /nfs/dbraw/zinc/59/10/30/366591030.db2.gz JKCVGXHRQCTZDY-BBWFWOEESA-N 0 3 297.402 2.284 20 30 CEEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)CN1C1CC1 ZINC000151157223 366625199 /nfs/dbraw/zinc/62/51/99/366625199.db2.gz BCJBCRQCVSQUJA-SMDDNHRTSA-N 0 3 273.355 2.412 20 30 CEEDHN CC(C)[C@H](CO)[C@@H](NCc1ccc(C#N)cn1)C(C)C ZINC000579137458 366600805 /nfs/dbraw/zinc/60/08/05/366600805.db2.gz CQJJQFIQELRLSC-HOTGVXAUSA-N 0 3 275.396 2.332 20 30 CEEDHN CC(C)[C@@H](CO)[C@@H](NCc1ccc(C#N)cn1)C(C)C ZINC000579137457 366600836 /nfs/dbraw/zinc/60/08/36/366600836.db2.gz CQJJQFIQELRLSC-CVEARBPZSA-N 0 3 275.396 2.332 20 30 CEEDHN CCN1CCC(NC(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000298125003 200339698 /nfs/dbraw/zinc/33/96/98/200339698.db2.gz DPMJQNXUBAOBPQ-BQYQJAHWSA-N 0 3 283.375 2.172 20 30 CEEDHN CC(C)[C@H](CNCc1ccc(C#N)s1)N1CCOCC1 ZINC000176943990 189015958 /nfs/dbraw/zinc/01/59/58/189015958.db2.gz HOYZRORQRRHDMY-HNNXBMFYSA-N 0 3 293.436 2.066 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)/C=C/c2ccccc2C#N)CN1C1CC1 ZINC000177088412 189028262 /nfs/dbraw/zinc/02/82/62/189028262.db2.gz FRVMDUUPDQXLAS-MVQLRYDASA-N 0 3 295.386 2.313 20 30 CEEDHN C=CCNC(=O)CN1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000177540497 189056035 /nfs/dbraw/zinc/05/60/35/189056035.db2.gz PIEHLLYDAANMQM-DZGCQCFKSA-N 0 3 258.365 2.167 20 30 CEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc(C#N)cc2)C1 ZINC000178527034 189124354 /nfs/dbraw/zinc/12/43/54/189124354.db2.gz FASIZGLZCHGMEL-SJORKVTESA-N 0 3 297.402 2.043 20 30 CEEDHN C#CCOc1ccc([C@H](C)NCC2(C)OCCO2)cc1 ZINC000179575758 189203610 /nfs/dbraw/zinc/20/36/10/189203610.db2.gz UFUYZYZEKBMRJK-ZDUSSCGKSA-N 0 3 275.348 2.112 20 30 CEEDHN COCC#CCN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000677479488 541018359 /nfs/dbraw/zinc/01/83/59/541018359.db2.gz MORTWZWWIYJCMC-UHFFFAOYSA-N 0 3 283.375 2.392 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnco1)C(C)C ZINC000677549641 541024119 /nfs/dbraw/zinc/02/41/19/541024119.db2.gz VJFICNSCRSPNEV-ZDUSSCGKSA-N 0 3 277.368 2.103 20 30 CEEDHN COc1ccc(CC[C@H](C)NC[C@H](C)C#N)cc1O ZINC000579788124 366701451 /nfs/dbraw/zinc/70/14/51/366701451.db2.gz DDKKJLPVQRPQFD-NEPJUHHUSA-N 0 3 262.353 2.471 20 30 CEEDHN CN(C)[C@H]1CCOc2c(Nc3cc(C#N)ncn3)cccc21 ZINC000579909022 366719033 /nfs/dbraw/zinc/71/90/33/366719033.db2.gz GERSBOFWYPQREY-AWEZNQCLSA-N 0 3 295.346 2.477 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ncccc3F)C2)cc1 ZINC000153976421 366747853 /nfs/dbraw/zinc/74/78/53/366747853.db2.gz NIYHSZGWPKXLLQ-OAHLLOKOSA-N 0 3 296.349 2.461 20 30 CEEDHN C=CCNC(=O)CN[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000183032317 189343314 /nfs/dbraw/zinc/34/33/14/189343314.db2.gz DNHXMLZROVDVAD-MEDUHNTESA-N 0 3 276.355 2.341 20 30 CEEDHN C=CCN1CCC(N[C@@H](CC)c2nccn2C)CC1 ZINC000182869481 189338161 /nfs/dbraw/zinc/33/81/61/189338161.db2.gz MJGQEGAKKDQLEC-AWEZNQCLSA-N 0 3 262.401 2.111 20 30 CEEDHN C=CCC[C@@H](O)CN[C@@H](C[S@@](C)=O)c1ccccc1 ZINC000183194225 189349866 /nfs/dbraw/zinc/34/98/66/189349866.db2.gz IHRMTTXCWMVWEX-ZRGWGRIASA-N 0 3 281.421 2.023 20 30 CEEDHN C=CCNC(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000155707175 366820977 /nfs/dbraw/zinc/82/09/77/366820977.db2.gz OLXXLVSMHBDLAX-SECBINFHSA-N 0 3 269.226 2.010 20 30 CEEDHN Cc1cc(C)c(C#N)c(N(C)CCN(C)C2CC2)n1 ZINC000184785012 189395270 /nfs/dbraw/zinc/39/52/70/189395270.db2.gz IKHKAPYGLUIPFX-UHFFFAOYSA-N 0 3 258.369 2.101 20 30 CEEDHN COCC#CCN[C@@H](C)c1ccccc1-n1cccn1 ZINC000678769902 541170096 /nfs/dbraw/zinc/17/00/96/541170096.db2.gz DVMFMHGXPJQFRJ-AWEZNQCLSA-N 0 3 269.348 2.173 20 30 CEEDHN O=C(NCCN1CCCCC1)N[C@@H]1CCOC2(CCC2)C1 ZINC000330181195 283705407 /nfs/dbraw/zinc/70/54/07/283705407.db2.gz NVVDTSUDPRXFBP-CQSZACIVSA-N 0 3 295.427 2.078 20 30 CEEDHN C=CCOCCNCc1cnc2ccc(Cl)cn12 ZINC000679486475 541279764 /nfs/dbraw/zinc/27/97/64/541279764.db2.gz NKAHBCYTDOBOPB-UHFFFAOYSA-N 0 3 265.744 2.280 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@H](c2nncn2C(C)C)C1 ZINC000093201659 364151911 /nfs/dbraw/zinc/15/19/11/364151911.db2.gz UYEDTNRULYVRGY-LSDHHAIUSA-N 0 3 292.427 2.366 20 30 CEEDHN CN(C)CCSCCOc1ccccc1C#N ZINC000095020404 364324219 /nfs/dbraw/zinc/32/42/19/364324219.db2.gz OQACBICQSGXHSO-UHFFFAOYSA-N 0 3 250.367 2.232 20 30 CEEDHN CCN1CCC[C@H]1CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094591569 364280232 /nfs/dbraw/zinc/28/02/32/364280232.db2.gz XXFYJOJWHFMIJZ-ZDUSSCGKSA-N 0 3 274.324 2.363 20 30 CEEDHN CC1(C)CCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000094802910 364296555 /nfs/dbraw/zinc/29/65/55/364296555.db2.gz FIPKAXUGUXPVQY-CQSZACIVSA-N 0 3 274.364 2.030 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000334989937 364317036 /nfs/dbraw/zinc/31/70/36/364317036.db2.gz HGIYCQQFDRORKS-MRXNPFEDSA-N 0 3 296.374 2.345 20 30 CEEDHN C=C(C)CCN[C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000275199681 192957095 /nfs/dbraw/zinc/95/70/95/192957095.db2.gz QDRBORFREIPMBC-JTQLQIEISA-N 0 3 276.344 2.108 20 30 CEEDHN C=C(C)CC[NH2+][C@H](c1nc(-c2nc[n-]n2)no1)C(C)C ZINC000275199681 192957098 /nfs/dbraw/zinc/95/70/98/192957098.db2.gz QDRBORFREIPMBC-JTQLQIEISA-N 0 3 276.344 2.108 20 30 CEEDHN CCN(CC1CC1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000157902557 366849027 /nfs/dbraw/zinc/84/90/27/366849027.db2.gz HUYPVCURJFELRR-ZDUSSCGKSA-N 0 3 277.412 2.449 20 30 CEEDHN CC(C)CN(C(=O)c1ccc(C#N)o1)C1CCN(C)CC1 ZINC000340307292 366842202 /nfs/dbraw/zinc/84/22/02/366842202.db2.gz UGGNFRFIZZYTKV-UHFFFAOYSA-N 0 3 289.379 2.344 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CC(C)(C)C[C@@H]1C ZINC000335188201 364599342 /nfs/dbraw/zinc/59/93/42/364599342.db2.gz FLLZFSRPYQDTDB-NWDGAFQWSA-N 0 3 263.385 2.058 20 30 CEEDHN C[C@@H]1CCN(C)CCN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000335228472 364657139 /nfs/dbraw/zinc/65/71/39/364657139.db2.gz KIBXTEBCPLABCZ-CQSZACIVSA-N 0 3 297.402 2.142 20 30 CEEDHN CC(C)(C#N)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1 ZINC000109303504 364717616 /nfs/dbraw/zinc/71/76/16/364717616.db2.gz PCTCYAIXJZJDLI-CYBMUJFWSA-N 0 3 277.412 2.449 20 30 CEEDHN N#Cc1ccccc1CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000335835424 365049438 /nfs/dbraw/zinc/04/94/38/365049438.db2.gz JXZQNAULUQRFEY-HOTGVXAUSA-N 0 3 256.349 2.417 20 30 CEEDHN C[C@@H]1[C@@H](C)N(Cc2cc(C#N)ccc2F)CCN1C ZINC000335571476 212282605 /nfs/dbraw/zinc/28/26/05/212282605.db2.gz CTQMMLGCLUXSCF-VXGBXAGGSA-N 0 3 261.344 2.222 20 30 CEEDHN C=CCCC[C@H](C)NCc1ccc(S(N)(=O)=O)s1 ZINC000638837431 370787517 /nfs/dbraw/zinc/78/75/17/370787517.db2.gz TUKZNTBMUZIEIJ-JTQLQIEISA-N 0 3 288.438 2.230 20 30 CEEDHN C[C@H](NC1CCN(C)CC1)c1ccc(C#N)cc1F ZINC000335982166 365250744 /nfs/dbraw/zinc/25/07/44/365250744.db2.gz RIIWKOKCPLQEPZ-NSHDSACASA-N 0 3 261.344 2.442 20 30 CEEDHN C=C[C@H](C)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000119365754 365262372 /nfs/dbraw/zinc/26/23/72/365262372.db2.gz AGOYHFOZKOMPLG-WDEREUQCSA-N 0 3 253.367 2.315 20 30 CEEDHN CCc1cccc2c1OCC[C@H]2NC(=O)C(C)C#N ZINC000336001168 365274233 /nfs/dbraw/zinc/27/42/33/365274233.db2.gz SYZCKYZBHJQDIC-GXFFZTMASA-N 0 3 258.321 2.348 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000120328234 365407807 /nfs/dbraw/zinc/40/78/07/365407807.db2.gz LVNWDUQAFBDTDT-KGLIPLIRSA-N 0 3 288.391 2.262 20 30 CEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cscc1C#N ZINC000336114299 365427575 /nfs/dbraw/zinc/42/75/75/365427575.db2.gz DRIRXKALEYDHRA-WCQYABFASA-N 0 3 289.404 2.319 20 30 CEEDHN C[C@H](N[C@@H]1CNCCC1(F)F)c1ccc(C#N)c(F)c1 ZINC000335566432 212275375 /nfs/dbraw/zinc/27/53/75/212275375.db2.gz ANJNFCJBUWSVGJ-TVQRCGJNSA-N 0 3 283.297 2.345 20 30 CEEDHN N#CC(C(=O)NC[C@H]1CCCO1)c1nccc2ccccc21 ZINC000582394039 366904742 /nfs/dbraw/zinc/90/47/42/366904742.db2.gz FQELBIOIYFICNA-UKRRQHHQSA-N 0 3 295.342 2.137 20 30 CEEDHN CC1(C)CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000582786772 366957212 /nfs/dbraw/zinc/95/72/12/366957212.db2.gz DPBYADMOSYYRMZ-UHFFFAOYSA-N 0 3 269.352 2.223 20 30 CEEDHN C=CCCCCNC(=O)N1CCN(c2ccncc2)CC1 ZINC000681162920 541514326 /nfs/dbraw/zinc/51/43/26/541514326.db2.gz HXNBGXIGHVIEPP-UHFFFAOYSA-N 0 3 288.395 2.270 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCCCO1)C(C)C ZINC000161191528 367066809 /nfs/dbraw/zinc/06/68/09/367066809.db2.gz OEDQTEQSHZWQCG-CVEARBPZSA-N 0 3 294.439 2.370 20 30 CEEDHN COC(CN(Cc1ccc(C#N)cc1)C(C)C)OC ZINC000160723775 367029844 /nfs/dbraw/zinc/02/98/44/367029844.db2.gz PHZFDHSMZOJGDM-UHFFFAOYSA-N 0 3 262.353 2.388 20 30 CEEDHN C[C@@H]1C[C@H](Nc2nc3ccccn3c2C#N)CN1C1CC1 ZINC000583967054 367122261 /nfs/dbraw/zinc/12/22/61/367122261.db2.gz JMLBTIWBDUDEFQ-NEPJUHHUSA-N 0 3 281.363 2.243 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000583996344 367126312 /nfs/dbraw/zinc/12/63/12/367126312.db2.gz OXBXIWMPNOGKPS-FVQBIDKESA-N 0 3 294.439 2.156 20 30 CEEDHN COc1ccc(CC[C@H](C)NC(=O)C(C)C#N)cc1 ZINC000357823712 370830990 /nfs/dbraw/zinc/83/09/90/370830990.db2.gz UJASKYIWLXEUIP-NEPJUHHUSA-N 0 3 260.337 2.292 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)N(C)CC(C)(C)C#N ZINC000590931402 367199585 /nfs/dbraw/zinc/19/95/85/367199585.db2.gz SUOVLVQLLFODSA-CYBMUJFWSA-N 0 3 280.416 2.052 20 30 CEEDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(C#N)s2)C1 ZINC000597923210 367209422 /nfs/dbraw/zinc/20/94/22/367209422.db2.gz MZCCMYJWHCVWKU-SNVBAGLBSA-N 0 3 277.393 2.222 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CC=CC2)cc1 ZINC000619298078 367235840 /nfs/dbraw/zinc/23/58/40/367235840.db2.gz LSWPSBALWINGNQ-AWEZNQCLSA-N 0 3 265.316 2.075 20 30 CEEDHN C=CC[C@H](CO)CNCc1cnc([C@H]2CCCO2)s1 ZINC000341267577 367256711 /nfs/dbraw/zinc/25/67/11/367256711.db2.gz JJVBCSDKERZRSC-WCQYABFASA-N 0 3 282.409 2.269 20 30 CEEDHN C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000631468329 367337922 /nfs/dbraw/zinc/33/79/22/367337922.db2.gz JVSKJBBZMAQGJA-STQMWFEESA-N 0 3 250.386 2.284 20 30 CEEDHN CN(C)CCNc1cccc(Br)c1C#N ZINC000164978679 367299731 /nfs/dbraw/zinc/29/97/31/367299731.db2.gz XETHHGDSNJJMQZ-UHFFFAOYSA-N 0 3 268.158 2.294 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNc1nccc(CO)n1)C(C)C ZINC000341388070 367314912 /nfs/dbraw/zinc/31/49/12/367314912.db2.gz UWDORKCFOOQIBH-HNNXBMFYSA-N 0 3 290.411 2.079 20 30 CEEDHN C=CC[C@@H](CO)CNCc1nccn1Cc1ccccc1 ZINC000341394272 367318760 /nfs/dbraw/zinc/31/87/60/367318760.db2.gz YKKPEDDRTFQJLY-MRXNPFEDSA-N 0 3 285.391 2.206 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)Nc2ccc(C#N)cc2)CCCN1C ZINC000342359382 367402136 /nfs/dbraw/zinc/40/21/36/367402136.db2.gz PXAYXFZQYDAHNO-BXUZGUMPSA-N 0 3 272.352 2.162 20 30 CEEDHN C=CC[C@H](C)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000342531345 367418768 /nfs/dbraw/zinc/41/87/68/367418768.db2.gz SYOOFXIRYPAEHG-UONOGXRCSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)[C@@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000342705177 367491644 /nfs/dbraw/zinc/49/16/44/367491644.db2.gz ZXTYHTZFCLUBHN-UHOFOFEASA-N 0 3 288.391 2.079 20 30 CEEDHN C[C@H](CCc1ccccc1)CN1CCN(CC#N)CC1 ZINC000342725075 367501677 /nfs/dbraw/zinc/50/16/77/367501677.db2.gz DAGWLKGEHOYCLR-MRXNPFEDSA-N 0 3 271.408 2.396 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C3CC3)on2)CC1 ZINC000171729242 367603659 /nfs/dbraw/zinc/60/36/59/367603659.db2.gz CMVIWJNVKKVVRA-UHFFFAOYSA-N 0 3 289.379 2.322 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)nc2)CC1 ZINC000171725432 367603773 /nfs/dbraw/zinc/60/37/73/367603773.db2.gz SQUHSCJPTQZYMH-UHFFFAOYSA-N 0 3 279.771 2.115 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c[nH]nc1C)C(C)C ZINC000171856057 367628732 /nfs/dbraw/zinc/62/87/32/367628732.db2.gz HHRHVWWHBBYPGY-HNNXBMFYSA-N 0 3 290.411 2.147 20 30 CEEDHN CC1(C)CCCN(CCNc2cc(C#N)ccn2)C1 ZINC000343088761 367665063 /nfs/dbraw/zinc/66/50/63/367665063.db2.gz BHNGNJLIMIAQDV-UHFFFAOYSA-N 0 3 258.369 2.487 20 30 CEEDHN C#CCNC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000172149600 367682979 /nfs/dbraw/zinc/68/29/79/367682979.db2.gz DEEMWERHJUCFCW-UHFFFAOYSA-N 0 3 257.333 2.450 20 30 CEEDHN Cc1cc(C)cc(NC(=O)C(C#N)c2ccncn2)c1 ZINC000358042973 370882752 /nfs/dbraw/zinc/88/27/52/370882752.db2.gz DFUMRAQNSOCFRW-ZDUSSCGKSA-N 0 3 266.304 2.339 20 30 CEEDHN COC(=O)C[C@H]1CCCN1Cc1ccc(CC#N)cc1 ZINC000343413041 367800686 /nfs/dbraw/zinc/80/06/86/367800686.db2.gz HBAHATCOJAVPJG-OAHLLOKOSA-N 0 3 272.348 2.280 20 30 CEEDHN CCC1(O)CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000343529630 367866169 /nfs/dbraw/zinc/86/61/69/367866169.db2.gz AMMIKCOQWFXFLI-UHFFFAOYSA-N 0 3 258.365 2.490 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(CC#N)C1CCCC1 ZINC000343662520 367943939 /nfs/dbraw/zinc/94/39/39/367943939.db2.gz RGAYCPGPYMJKEL-BETUJISGSA-N 0 3 263.385 2.154 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C2CC2)C1 ZINC000344022890 368102772 /nfs/dbraw/zinc/10/27/72/368102772.db2.gz HHJDNVBEQXUQKM-XNRPHZJLSA-N 0 3 277.412 2.161 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N(C)C[C@H]1CC=CCC1 ZINC000344067485 368105320 /nfs/dbraw/zinc/10/53/20/368105320.db2.gz PNKUCXIPXNUDPH-KGLIPLIRSA-N 0 3 263.385 2.035 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)C[C@H]1CC=CCC1 ZINC000344072312 368105394 /nfs/dbraw/zinc/10/53/94/368105394.db2.gz SKKLKSWKQDUOGZ-HNNXBMFYSA-N 0 3 262.397 2.475 20 30 CEEDHN COc1ncccc1NC(=O)C(C#N)c1nc(C)cs1 ZINC000179456988 368340483 /nfs/dbraw/zinc/34/04/83/368340483.db2.gz VYVZCEMIBYUKGK-VIFPVBQESA-N 0 3 288.332 2.101 20 30 CEEDHN C[C@@H](NCCC(=O)N(C)CCC#N)c1ccccc1 ZINC000181375388 368449178 /nfs/dbraw/zinc/44/91/78/368449178.db2.gz QPVNPABCAIVCRT-CYBMUJFWSA-N 0 3 259.353 2.099 20 30 CEEDHN CCN1C[C@H](C)N(Cc2ccccc2C#N)C[C@H]1C ZINC000346169506 368574716 /nfs/dbraw/zinc/57/47/16/368574716.db2.gz QRIQBPZSUODCJN-KGLIPLIRSA-N 0 3 257.381 2.473 20 30 CEEDHN C=C[C@@H](C)N[C@@H](C)c1ccccc1OCC(=O)OC ZINC000346546834 368712635 /nfs/dbraw/zinc/71/26/35/368712635.db2.gz AJTHGJYIPMVSKF-NEPJUHHUSA-N 0 3 263.337 2.464 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)NC1CC1 ZINC000346654683 368754556 /nfs/dbraw/zinc/75/45/56/368754556.db2.gz NRHXUHYVGDKOMP-NSHDSACASA-N 0 3 264.394 2.403 20 30 CEEDHN C#CCC(C)(C)C(=O)NCCN(C)Cc1ccccc1 ZINC000185253759 368776527 /nfs/dbraw/zinc/77/65/27/368776527.db2.gz MUQSTUVXAKGTMA-UHFFFAOYSA-N 0 3 272.392 2.284 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H](C)CC(=C)C)CC1 ZINC000185487969 368813553 /nfs/dbraw/zinc/81/35/53/368813553.db2.gz WGRAVVBFTHRTLY-ZDUSSCGKSA-N 0 3 250.386 2.355 20 30 CEEDHN C=CCOCCCN1C[C@H]2CCCCN2C[C@H]1C ZINC000348039436 368868840 /nfs/dbraw/zinc/86/88/40/368868840.db2.gz DCYBLRVYAKOFKO-HUUCEWRRSA-N 0 3 252.402 2.138 20 30 CEEDHN C#CCSCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000186070448 368914929 /nfs/dbraw/zinc/91/49/29/368914929.db2.gz IAFIXSDNSFOPPT-LLVKDONJSA-N 0 3 265.378 2.418 20 30 CEEDHN C=C(C)CN(CCN1CCOCC1)Cc1ccccc1 ZINC000348237538 368962981 /nfs/dbraw/zinc/96/29/81/368962981.db2.gz NIRQSSBCJQMRPG-UHFFFAOYSA-N 0 3 274.408 2.397 20 30 CEEDHN C=C(C)CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348442908 369047746 /nfs/dbraw/zinc/04/77/46/369047746.db2.gz MBAULVCSMIRRAC-HNNXBMFYSA-N 0 3 267.332 2.275 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(OC)cc1F ZINC000186689521 369020803 /nfs/dbraw/zinc/02/08/03/369020803.db2.gz MFZDBWSPDJOIIT-MNOVXSKESA-N 0 3 253.317 2.422 20 30 CEEDHN C=CCNC(=O)CN[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000348530324 369072684 /nfs/dbraw/zinc/07/26/84/369072684.db2.gz LPQONJNKWSZOIK-HOTGVXAUSA-N 0 3 288.391 2.016 20 30 CEEDHN CC[C@@]1(CO)CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000187572079 369181760 /nfs/dbraw/zinc/18/17/60/369181760.db2.gz NIQDIDCFVCDNRN-DLBZAZTESA-N 0 3 288.391 2.076 20 30 CEEDHN C=CCCCN(C)C(=O)[C@@H]1CCN1C1CCCC1 ZINC000635582640 369230848 /nfs/dbraw/zinc/23/08/48/369230848.db2.gz AVAGISHZPBBDMH-AWEZNQCLSA-N 0 3 250.386 2.428 20 30 CEEDHN CCCN(CC(=O)NCc1cccc(C#N)c1)CC1CC1 ZINC000349143223 369250301 /nfs/dbraw/zinc/25/03/01/369250301.db2.gz LHHJVUPCCQAVJV-UHFFFAOYSA-N 0 3 285.391 2.296 20 30 CEEDHN COCCOc1ccccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000349814689 369407566 /nfs/dbraw/zinc/40/75/66/369407566.db2.gz VPYRUOWHBMNDLV-HIFRSBDPSA-N 0 3 274.364 2.494 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2ccc3c(c2)OCCO3)C1 ZINC000349814971 369408242 /nfs/dbraw/zinc/40/82/42/369408242.db2.gz YANQYXNJCVLXBQ-WCQYABFASA-N 0 3 258.321 2.240 20 30 CEEDHN C=CCCN(C)C(=O)NCCN(C)Cc1ccccc1 ZINC000276155964 193229060 /nfs/dbraw/zinc/22/90/60/193229060.db2.gz QRSTUKFEMSUYPX-UHFFFAOYSA-N 0 3 275.396 2.336 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)CCc2ccc(C#N)cc2)CCN1C ZINC000330902784 203372692 /nfs/dbraw/zinc/37/26/92/203372692.db2.gz LHDFBZVMLAGBOL-XJKSGUPXSA-N 0 3 285.391 2.090 20 30 CEEDHN C=CCCN(C)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000276456485 193338776 /nfs/dbraw/zinc/33/87/76/193338776.db2.gz QFKLULSVHUSQET-GFCCVEGCSA-N 0 3 264.344 2.338 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc(OC)c(OC)cc1C ZINC000351599215 369642048 /nfs/dbraw/zinc/64/20/48/369642048.db2.gz CTKQOCBTYUXBNM-ZDUSSCGKSA-N 0 3 265.353 2.039 20 30 CEEDHN CCOCCC1(CNC(=O)C(C)C#N)CCCC1 ZINC000351661723 369646979 /nfs/dbraw/zinc/64/69/79/369646979.db2.gz LYOMELMPRYTIDL-LBPRGKRZSA-N 0 3 252.358 2.249 20 30 CEEDHN C=CCCN(C)[C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000276443149 193332789 /nfs/dbraw/zinc/33/27/89/193332789.db2.gz OSFAMYPGQZLVFF-LLVKDONJSA-N 0 3 293.342 2.370 20 30 CEEDHN Cn1cc(CNC[C@@](C)(O)c2ccc(F)cc2)cc1C#N ZINC000191493843 369717583 /nfs/dbraw/zinc/71/75/83/369717583.db2.gz XEVBKNILUZTPCG-MRXNPFEDSA-N 0 3 287.338 2.033 20 30 CEEDHN C=CCN(CCOC)CCc1ccccc1C(=O)OC ZINC000191103176 369678804 /nfs/dbraw/zinc/67/88/04/369678804.db2.gz FKFHUOKNJYZJAD-UHFFFAOYSA-N 0 3 277.364 2.150 20 30 CEEDHN COc1cccc(OCCCNCc2cc(C#N)n(C)c2)c1 ZINC000191142565 369683783 /nfs/dbraw/zinc/68/37/83/369683783.db2.gz UMCJPTBWHJUEIL-UHFFFAOYSA-N 0 3 299.374 2.464 20 30 CEEDHN COCCC[C@H](Cc1ccccc1)NC(=O)C(C)C#N ZINC000352355549 369687396 /nfs/dbraw/zinc/68/73/96/369687396.db2.gz IGJBUIVRUIIFPC-UKRRQHHQSA-N 0 3 274.364 2.300 20 30 CEEDHN C[C@H]1CC(O)C[C@H](C)N1CCOc1cccc(C#N)c1 ZINC000191284823 369698335 /nfs/dbraw/zinc/69/83/35/369698335.db2.gz LDFMXJNAUPVAMD-STQMWFEESA-N 0 3 274.364 2.171 20 30 CEEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000191889627 369750166 /nfs/dbraw/zinc/75/01/66/369750166.db2.gz BOGRACMWICYHSO-OAHLLOKOSA-N 0 3 284.359 2.476 20 30 CEEDHN C[C@@H]1C[C@H](CN2CCN(c3ccccc3C#N)CC2)CCO1 ZINC000352700511 369844386 /nfs/dbraw/zinc/84/43/86/369844386.db2.gz QPYQQRIXSPCGPK-HZPDHXFCSA-N 0 3 299.418 2.495 20 30 CEEDHN CC(C)[C@@H](CNCc1nc(C#N)cs1)N1CCCC1 ZINC000352837457 369904872 /nfs/dbraw/zinc/90/48/72/369904872.db2.gz ARAIPYLUHZZVNA-CYBMUJFWSA-N 0 3 278.425 2.225 20 30 CEEDHN Cn1cc(CNCC2(C(N)=O)CCCC2)cc1C#N ZINC000331086872 203529871 /nfs/dbraw/zinc/52/98/71/203529871.db2.gz DKYHPEUMHPHDIT-UHFFFAOYSA-N 0 3 260.341 2.082 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]nc2C(C)C)CC1 ZINC000193557713 369955067 /nfs/dbraw/zinc/95/50/67/369955067.db2.gz JRFXYKNALDLPNV-UHFFFAOYSA-N 0 3 290.411 2.303 20 30 CEEDHN COc1ccc(CN2CC[C@@H](O)C23CCCC3)cc1C#N ZINC000353995951 370169837 /nfs/dbraw/zinc/16/98/37/370169837.db2.gz MKTIPQKWGMGFIZ-MRXNPFEDSA-N 0 3 286.375 2.446 20 30 CEEDHN C[C@@H]1CN(CCN(C)Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000195305080 370124798 /nfs/dbraw/zinc/12/47/98/370124798.db2.gz MCGTUOMEXZNZBL-GASCZTMLSA-N 0 3 287.407 2.099 20 30 CEEDHN COc1ccc(CNC[C@@H](O)c2ccsc2)cc1C#N ZINC000230664867 370463634 /nfs/dbraw/zinc/46/36/34/370463634.db2.gz KYEMXYYNBILTSA-CQSZACIVSA-N 0 3 288.372 2.452 20 30 CEEDHN C=CC(C)(C)CCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000638454776 370542810 /nfs/dbraw/zinc/54/28/10/370542810.db2.gz KBOKSOLPAMTEIQ-GDZNZVCISA-N 0 3 294.439 2.237 20 30 CEEDHN COc1cc(CN[C@H]2C[C@@H](OC)C2(C)C)ccc1C#N ZINC000234829833 370543991 /nfs/dbraw/zinc/54/39/91/370543991.db2.gz VAYJKCCXOMGJQK-LSDHHAIUSA-N 0 3 274.364 2.470 20 30 CEEDHN CCOC(C)(C)CNCc1ccc(C#N)c(OC)c1 ZINC000233730586 370522022 /nfs/dbraw/zinc/52/20/22/370522022.db2.gz UAKCBCWWVWTPOV-UHFFFAOYSA-N 0 3 262.353 2.472 20 30 CEEDHN C=C[C@H](C)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000358310365 371007196 /nfs/dbraw/zinc/00/71/96/371007196.db2.gz XUKXSJPJNSEFNS-WDEREUQCSA-N 0 3 268.382 2.283 20 30 CEEDHN C=C[C@@H](C)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000358310362 371007508 /nfs/dbraw/zinc/00/75/08/371007508.db2.gz XUKXSJPJNSEFNS-GHMZBOCLSA-N 0 3 268.382 2.283 20 30 CEEDHN C=CCOc1ccc(CN[C@@H]2CCCNC(=O)C2)cc1 ZINC000639158226 371032195 /nfs/dbraw/zinc/03/21/95/371032195.db2.gz ZANHGLBJJIYMIA-CQSZACIVSA-N 0 3 274.364 2.010 20 30 CEEDHN C=C(CC)CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000358503674 371094436 /nfs/dbraw/zinc/09/44/36/371094436.db2.gz DLMVLMYDTXOVHA-ZDUSSCGKSA-N 0 3 260.385 2.370 20 30 CEEDHN C[C@H]1CCN(C)CCN1C(=O)NCC(C)(C)CCC#N ZINC000358745899 371201339 /nfs/dbraw/zinc/20/13/39/371201339.db2.gz XSXMPLQVQBHWCD-ZDUSSCGKSA-N 0 3 280.416 2.052 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000358816167 371233568 /nfs/dbraw/zinc/23/35/68/371233568.db2.gz RWSWKSCSYFYLIN-IRXDYDNUSA-N 0 3 299.418 2.492 20 30 CEEDHN C[C@H](C(=O)NCc1ccc(C#N)cc1)N1[C@H](C)CC[C@H]1C ZINC000249754516 371360078 /nfs/dbraw/zinc/36/00/78/371360078.db2.gz SWDHWJSXCVRGTP-MGPQQGTHSA-N 0 3 285.391 2.436 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2[C@@H](C)C2(F)F)CC1 ZINC000359321853 371428009 /nfs/dbraw/zinc/42/80/09/371428009.db2.gz VYXQOPOCLOYGFJ-PWSUYJOCSA-N 0 3 272.339 2.044 20 30 CEEDHN CC#CCN1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639793576 371573300 /nfs/dbraw/zinc/57/33/00/371573300.db2.gz VLCIWXCZUSNIOG-CQSZACIVSA-N 0 3 251.333 2.442 20 30 CEEDHN Fc1ccc(C#CCN2CCC[C@@H](n3ccnn3)CC2)cc1 ZINC000639819217 371594886 /nfs/dbraw/zinc/59/48/86/371594886.db2.gz WXLMRMSSKRILDQ-QGZVFWFLSA-N 0 3 298.365 2.496 20 30 CEEDHN CC#CCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000361445038 371850683 /nfs/dbraw/zinc/85/06/83/371850683.db2.gz ATFBWTRPPOYDPP-KRWDZBQOSA-N 0 3 299.418 2.364 20 30 CEEDHN CN(CCOCc1ccc(C#N)cc1)CCOCC1CC1 ZINC000344063596 217031825 /nfs/dbraw/zinc/03/18/25/217031825.db2.gz DKELCQORIUGVKN-UHFFFAOYSA-N 0 3 288.391 2.433 20 30 CEEDHN CCN(CC(=O)N[C@](C)(C#N)C1CC1)CC(C)(C)C ZINC000361529473 371900763 /nfs/dbraw/zinc/90/07/63/371900763.db2.gz TVOKFTMQLYKGAP-OAHLLOKOSA-N 0 3 265.401 2.163 20 30 CEEDHN CCN(CCC#N)C(=O)CN(CC1CC1)CC1CCC1 ZINC000361566343 371928611 /nfs/dbraw/zinc/92/86/11/371928611.db2.gz PWNATNJQPJEPIL-UHFFFAOYSA-N 0 3 277.412 2.261 20 30 CEEDHN CC#CCCCC(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000361623995 371984080 /nfs/dbraw/zinc/98/40/80/371984080.db2.gz PFXDUFRDFCDCMR-GJZGRUSLSA-N 0 3 294.464 2.218 20 30 CEEDHN C[C@H](O)C1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000264736993 372003245 /nfs/dbraw/zinc/00/32/45/372003245.db2.gz RCAIKYAKUAWKEU-ZDUSSCGKSA-N 0 3 274.364 2.182 20 30 CEEDHN CN(Cc1ccc(OCC#N)cc1)C[C@@H]1CCCO1 ZINC000264535466 371998515 /nfs/dbraw/zinc/99/85/15/371998515.db2.gz GCZXFHYOXJCFBT-HNNXBMFYSA-N 0 3 260.337 2.200 20 30 CEEDHN CC[C@H](C#N)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000263820840 371950576 /nfs/dbraw/zinc/95/05/76/371950576.db2.gz QCBZJXMHYRNXNE-JKSUJKDBSA-N 0 3 285.391 2.317 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ncc(C#N)cc1Cl ZINC000267539707 372074860 /nfs/dbraw/zinc/07/48/60/372074860.db2.gz BZWORVWGLADRJY-GWCFXTLKSA-N 0 3 278.787 2.383 20 30 CEEDHN C=CCC[C@H](O)CN1CCCN(c2ccccc2C#N)CC1 ZINC000268584218 372142975 /nfs/dbraw/zinc/14/29/75/372142975.db2.gz UKXLHSIFUYQEBD-KRWDZBQOSA-N 0 3 299.418 2.397 20 30 CEEDHN C=CCC[C@H](O)CN(C)Cc1cc(OC)cc(OC)c1 ZINC000268524287 372124980 /nfs/dbraw/zinc/12/49/80/372124980.db2.gz GREQRIKMPYSUIY-AWEZNQCLSA-N 0 3 279.380 2.463 20 30 CEEDHN CC[C@@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)N(C)C ZINC000268738032 372202928 /nfs/dbraw/zinc/20/29/28/372202928.db2.gz OORBAHAFRNIGBI-RISCZKNCSA-N 0 3 259.353 2.076 20 30 CEEDHN CSCC[C@@H](CO)N[C@@H](C)c1cccc(C#N)c1 ZINC000344305756 217143623 /nfs/dbraw/zinc/14/36/23/217143623.db2.gz VVCUEEBCBOYZBH-FZMZJTMJSA-N 0 3 264.394 2.323 20 30 CEEDHN C=CCCC(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC000269106823 372343980 /nfs/dbraw/zinc/34/39/80/372343980.db2.gz QKEZMYUPGZVKGX-UHFFFAOYSA-N 0 3 276.380 2.249 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC[C@H]2COCC[C@@H]21 ZINC000362453911 372369822 /nfs/dbraw/zinc/36/98/22/372369822.db2.gz XXOUOPNHQBOEGU-HOTGVXAUSA-N 0 3 286.375 2.438 20 30 CEEDHN CCN(CC)CC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000269642581 372515410 /nfs/dbraw/zinc/51/54/10/372515410.db2.gz XAZSJIHCQBUOLL-UHFFFAOYSA-N 0 3 271.364 2.005 20 30 CEEDHN CN(CC#Cc1ccc(F)cc1)C[C@H]1CCC[C@H]1O ZINC000270227681 372708806 /nfs/dbraw/zinc/70/88/06/372708806.db2.gz ZQWYPVXLJODCGS-GDBMZVCRSA-N 0 3 261.340 2.270 20 30 CEEDHN C#CCOc1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1 ZINC000270550782 372839598 /nfs/dbraw/zinc/83/95/98/372839598.db2.gz MDSKGAGNRRQIBV-CYBMUJFWSA-N 0 3 287.281 2.102 20 30 CEEDHN C=CCCCC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000365853465 372949286 /nfs/dbraw/zinc/94/92/86/372949286.db2.gz COUNGMWCCFYCKZ-CQSZACIVSA-N 0 3 280.412 2.054 20 30 CEEDHN CN1CCN(Cc2ccc(F)c(C#N)c2)C(C)(C)C1 ZINC000270996712 373056899 /nfs/dbraw/zinc/05/68/99/373056899.db2.gz FMIFYBKHKPWIJN-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)C[C@H]1CCC[C@@H]1O ZINC000271039963 373086060 /nfs/dbraw/zinc/08/60/60/373086060.db2.gz MRUUWUMRXGQQSN-HIFRSBDPSA-N 0 3 274.364 2.160 20 30 CEEDHN C#CCCN1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC000366888608 373126388 /nfs/dbraw/zinc/12/63/88/373126388.db2.gz ZHCVCZDCZMXAGZ-MRXNPFEDSA-N 0 3 268.360 2.458 20 30 CEEDHN Cn1cc(CN2CC[C@H](c3nc(C4CC4)no3)C2)cc1C#N ZINC000344843034 217329954 /nfs/dbraw/zinc/32/99/54/217329954.db2.gz GJTYCJHQZKOLNY-ZDUSSCGKSA-N 0 3 297.362 2.147 20 30 CEEDHN CC(C)[C@@H](O)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271930976 373223640 /nfs/dbraw/zinc/22/36/40/373223640.db2.gz IIZAEUYIANJYNT-HZMBPMFUSA-N 0 3 250.317 2.365 20 30 CEEDHN C=CCCCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000368812917 373264380 /nfs/dbraw/zinc/26/43/80/373264380.db2.gz AMRCBKAJEQEQAA-HUUCEWRRSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CCNC(=O)CN[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000272078129 373296067 /nfs/dbraw/zinc/29/60/67/373296067.db2.gz KVNDIIDOOGDIPW-MRXNPFEDSA-N 0 3 276.355 2.477 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC[C@H](n2cccn2)C1 ZINC000368874594 373281085 /nfs/dbraw/zinc/28/10/85/373281085.db2.gz HGJQQVRPYKZJKZ-INIZCTEOSA-N 0 3 296.374 2.471 20 30 CEEDHN COc1ccc(CN[C@H]2CCc3nc(C)cn3C2)cc1C#N ZINC000369690420 373490471 /nfs/dbraw/zinc/49/04/71/373490471.db2.gz SWIOIBPUGDAXRO-HNNXBMFYSA-N 0 3 296.374 2.176 20 30 CEEDHN C=CCOCCN[C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000644543483 373521638 /nfs/dbraw/zinc/52/16/38/373521638.db2.gz APUKCGUHTMAVIN-CYBMUJFWSA-N 0 3 276.380 2.242 20 30 CEEDHN C=CCOCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000272567741 373555928 /nfs/dbraw/zinc/55/59/28/373555928.db2.gz OPIYDPSONTUVMD-LLVKDONJSA-N 0 3 250.298 2.448 20 30 CEEDHN C=CCc1cc(CN2CC[C@H]([C@H](C)O)C2)cc(OC)c1O ZINC000272580551 373562291 /nfs/dbraw/zinc/56/22/91/373562291.db2.gz XZASKMJIOZWCDN-WFASDCNBSA-N 0 3 291.391 2.332 20 30 CEEDHN N#Cc1ccc(N2CCC[C@@H](NCc3cc[nH]c3)C2=O)cc1 ZINC000272604437 373577529 /nfs/dbraw/zinc/57/75/29/373577529.db2.gz SSKVFUYEQMEGTR-MRXNPFEDSA-N 0 3 294.358 2.172 20 30 CEEDHN C=CCOc1cccc(CNC[C@H](COC)OC)c1 ZINC000272698681 373621693 /nfs/dbraw/zinc/62/16/93/373621693.db2.gz RIIULVKGTVNJLY-OAHLLOKOSA-N 0 3 265.353 2.002 20 30 CEEDHN C=CCN(CC=C)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272858485 373683108 /nfs/dbraw/zinc/68/31/08/373683108.db2.gz IAYROFVMWWZCTR-ZDUSSCGKSA-N 0 3 263.385 2.020 20 30 CEEDHN Cc1ccnc(N2CCC[C@@H]3CN(C)CC[C@@H]32)c1C#N ZINC000273409223 373755391 /nfs/dbraw/zinc/75/53/91/373755391.db2.gz XJSJIDCRSYQTSE-HIFRSBDPSA-N 0 3 270.380 2.182 20 30 CEEDHN C=CCCCCNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000274529061 373952954 /nfs/dbraw/zinc/95/29/54/373952954.db2.gz CXXKHQVVCVOYHY-ZDUSSCGKSA-N 0 3 265.401 2.292 20 30 CEEDHN C=CCCCCNCc1c(C)nn(C)c1N1CCOCC1 ZINC000274583000 373971921 /nfs/dbraw/zinc/97/19/21/373971921.db2.gz LLXBNOPDBKYURF-UHFFFAOYSA-N 0 3 292.427 2.011 20 30 CEEDHN C=C(C)CCN(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000274801282 374054168 /nfs/dbraw/zinc/05/41/68/374054168.db2.gz RFCKMXWZRPCDHS-GFCCVEGCSA-N 0 3 282.409 2.293 20 30 CEEDHN C=CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000275189136 374180892 /nfs/dbraw/zinc/18/08/92/374180892.db2.gz CMDYUTICMLIQBG-HNNXBMFYSA-N 0 3 273.380 2.088 20 30 CEEDHN CC(C)[C@@H](CO)NCc1cc(C#N)ccc1Br ZINC000276977882 374367249 /nfs/dbraw/zinc/36/72/49/374367249.db2.gz XXHAQONGLFIRCL-CYBMUJFWSA-N 0 3 297.196 2.427 20 30 CEEDHN Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)ccn1 ZINC000684161336 541934491 /nfs/dbraw/zinc/93/44/91/541934491.db2.gz PRRWWFQLQFHZSY-ZDUSSCGKSA-N 0 3 295.346 2.198 20 30 CEEDHN C[C@H](C#N)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000374590117 374606905 /nfs/dbraw/zinc/60/69/05/374606905.db2.gz AWWXZYZKGHBVBM-HUUCEWRRSA-N 0 3 257.381 2.495 20 30 CEEDHN CCN1CC[C@@H](N(C)C(=O)c2ccc(C#N)o2)C[C@@H]1C ZINC000334227635 206221268 /nfs/dbraw/zinc/22/12/68/206221268.db2.gz FQTJQAKLAGVZIH-NWDGAFQWSA-N 0 3 275.352 2.096 20 30 CEEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)CCCO1 ZINC000375600275 374664024 /nfs/dbraw/zinc/66/40/24/374664024.db2.gz XMEDVGQGAUPOJM-CQSZACIVSA-N 0 3 266.385 2.198 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC2(CCC2)CC1 ZINC000375739271 374673965 /nfs/dbraw/zinc/67/39/65/374673965.db2.gz ZIPBQEIKZGGMAD-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@@H]1OCC[C@@]12CN(CC(C)(C)CCC#N)CCO2 ZINC000377274126 374829252 /nfs/dbraw/zinc/82/92/52/374829252.db2.gz WBFWZAFYSNFUAA-DZGCQCFKSA-N 0 3 266.385 2.196 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2COc3ccccc3[C@H]2O)c1 ZINC000377402171 374850027 /nfs/dbraw/zinc/85/00/27/374850027.db2.gz JQVHTJGYRUXEFR-NVXWUHKLSA-N 0 3 280.327 2.142 20 30 CEEDHN C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cccc(C#N)c1 ZINC000378448253 375103787 /nfs/dbraw/zinc/10/37/87/375103787.db2.gz CNMPECQNFMUJNX-KOZAUXTDSA-N 0 3 283.375 2.218 20 30 CEEDHN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc(C#N)c(OC)c1 ZINC000385651018 375238590 /nfs/dbraw/zinc/23/85/90/375238590.db2.gz LASXPXYMPGXAAD-HUUCEWRRSA-N 0 3 274.364 2.160 20 30 CEEDHN C#C[C@H](NC[C@@H](O)COc1ccccc1Cl)C(C)C ZINC000387630211 375279694 /nfs/dbraw/zinc/27/96/94/375279694.db2.gz HUZBPTCPPFEFDL-OCCSQVGLSA-N 0 3 281.783 2.327 20 30 CEEDHN COc1cc(CN[C@@H](C)[C@H](OC)C2CC2)ccc1C#N ZINC000388336065 375289370 /nfs/dbraw/zinc/28/93/70/375289370.db2.gz HKMBMRWAMMUHQL-ZBEGNZNMSA-N 0 3 274.364 2.470 20 30 CEEDHN CC[C@H](O)CCCNCc1ccc(C#N)c(OC)c1 ZINC000398460587 375351335 /nfs/dbraw/zinc/35/13/35/375351335.db2.gz ITTLDURHXHVXNA-AWEZNQCLSA-N 0 3 262.353 2.208 20 30 CEEDHN Cc1cc(N[C@H]2CCN(Cc3ccccc3)C2)c(C#N)cn1 ZINC000399732447 375365830 /nfs/dbraw/zinc/36/58/30/375365830.db2.gz MKLKJXDVTOGQQV-KRWDZBQOSA-N 0 3 292.386 2.370 20 30 CEEDHN C=CCN1CC[C@H](N[C@H](C)c2ccc(C)cc2)C1=O ZINC000281230987 375366214 /nfs/dbraw/zinc/36/62/14/375366214.db2.gz OYZFJEVXXJLILC-HIFRSBDPSA-N 0 3 258.365 2.433 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ncc(Cl)n1C ZINC000281448945 375379158 /nfs/dbraw/zinc/37/91/58/375379158.db2.gz ACETVIOLGZLNFW-GXFFZTMASA-N 0 3 269.776 2.144 20 30 CEEDHN Cc1cc(C#N)cc(N[C@H]2C[C@H](C)N(C3CC3)C2)n1 ZINC000408228015 375433881 /nfs/dbraw/zinc/43/38/81/375433881.db2.gz VHPRQQURMMZSFZ-AAEUAGOBSA-N 0 3 256.353 2.299 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc2n(n1)CCC2 ZINC000414123896 375798018 /nfs/dbraw/zinc/79/80/18/375798018.db2.gz BSWLNQIIRGFTDE-IOASZLSFSA-N 0 3 275.396 2.461 20 30 CEEDHN N#Cc1ccc(CNC[C@H](CO)c2ccc(F)cc2)o1 ZINC000414531752 375840013 /nfs/dbraw/zinc/84/00/13/375840013.db2.gz SFRCOSTZIKWEPF-GFCCVEGCSA-N 0 3 274.295 2.156 20 30 CEEDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc(C#N)cs1 ZINC000287007248 376128251 /nfs/dbraw/zinc/12/82/51/376128251.db2.gz HRBSFUAXQMZBFC-WCQYABFASA-N 0 3 289.404 2.319 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N[C@H]1CNCCC1(F)F ZINC000417993922 376224897 /nfs/dbraw/zinc/22/48/97/376224897.db2.gz YGMGGLLAVRCCSL-MNOVXSKESA-N 0 3 275.343 2.028 20 30 CEEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000263642034 190071687 /nfs/dbraw/zinc/07/16/87/190071687.db2.gz CRPHHTQVMNVCKE-HNNXBMFYSA-N 0 3 258.365 2.343 20 30 CEEDHN C[C@@H](NCCSCCCO)c1ccc(C#N)c(F)c1 ZINC000305811916 376500606 /nfs/dbraw/zinc/50/06/06/376500606.db2.gz JJNYHGTZOCWQMJ-LLVKDONJSA-N 0 3 282.384 2.464 20 30 CEEDHN COc1ccc(CNCCc2cccnc2OC)cc1C#N ZINC000289810416 376511929 /nfs/dbraw/zinc/51/19/29/376511929.db2.gz NAGMXZQRLNDWCC-UHFFFAOYSA-N 0 3 297.358 2.303 20 30 CEEDHN CN(C)C[C@@H]1CCCN1C(=O)/C=C/c1ccccc1C#N ZINC000263914754 190085207 /nfs/dbraw/zinc/08/52/07/190085207.db2.gz LOYHCWHUJPRZKB-SCOAYWHSSA-N 0 3 283.375 2.124 20 30 CEEDHN CN(C)C[C@H]1CCCN1C(=O)/C=C/c1ccccc1C#N ZINC000263914755 190085211 /nfs/dbraw/zinc/08/52/11/190085211.db2.gz LOYHCWHUJPRZKB-ZNFPLGDCSA-N 0 3 283.375 2.124 20 30 CEEDHN C=CCN(C(=O)CNC1CC1)c1nc2c(s1)CCCC2 ZINC000557042542 376534273 /nfs/dbraw/zinc/53/42/73/376534273.db2.gz UAFNWKXHPCVLCN-UHFFFAOYSA-N 0 3 291.420 2.293 20 30 CEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C(F)(F)F ZINC000264273165 190100781 /nfs/dbraw/zinc/10/07/81/190100781.db2.gz SIHRAUFYGZJHOX-UHFFFAOYSA-N 0 3 299.296 2.011 20 30 CEEDHN CC(C)(C#N)CCCN1CC[C@](O)(C(F)(F)F)C1 ZINC000310559865 376626486 /nfs/dbraw/zinc/62/64/86/376626486.db2.gz ZLQWFTJARMGUEX-LLVKDONJSA-N 0 3 264.291 2.315 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000684898430 542085940 /nfs/dbraw/zinc/08/59/40/542085940.db2.gz DDJTUAKWJUDJMR-ZIAGYGMSSA-N 0 3 265.401 2.125 20 30 CEEDHN CC(=O)N[C@@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000420958922 376747696 /nfs/dbraw/zinc/74/76/96/376747696.db2.gz PTNNJRURKGELPF-CQSZACIVSA-N 0 3 263.385 2.061 20 30 CEEDHN C=CCN1CC[C@@H](N2CC[C@@H](C3CCCC3)C2)C1=O ZINC000420965960 376751122 /nfs/dbraw/zinc/75/11/22/376751122.db2.gz UCGMOAMLFKDNKD-HUUCEWRRSA-N 0 3 262.397 2.285 20 30 CEEDHN CCC#C[C@H](C)N(C)CCn1cc(Br)cn1 ZINC000685060323 542115522 /nfs/dbraw/zinc/11/55/22/542115522.db2.gz JQRSFTYBQBRVTA-NSHDSACASA-N 0 3 284.201 2.379 20 30 CEEDHN CC(C)N(Cc1cnc2ccc(C#N)cn12)[C@@H]1CCOC1 ZINC000562281839 376857872 /nfs/dbraw/zinc/85/78/72/376857872.db2.gz WLQIZGUPOYMQBG-CQSZACIVSA-N 0 3 284.363 2.205 20 30 CEEDHN CCN(CCNC(=O)c1cn2c(n1)CCCC2)C1CC1 ZINC000328653257 376871761 /nfs/dbraw/zinc/87/17/61/376871761.db2.gz CDWJPHJCQNAHRE-UHFFFAOYSA-N 0 3 276.384 2.008 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC000328764431 376893221 /nfs/dbraw/zinc/89/32/21/376893221.db2.gz AFNHVGOQDDYZQG-NWDGAFQWSA-N 0 3 267.373 2.184 20 30 CEEDHN C=CCOc1ccc(OC[C@@H](O)CN(C)C2CC2)cc1 ZINC000290829321 376945561 /nfs/dbraw/zinc/94/55/61/376945561.db2.gz UKYGMCHCLJOCNK-AWEZNQCLSA-N 0 3 277.364 2.085 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC000329362828 376953723 /nfs/dbraw/zinc/95/37/23/376953723.db2.gz IZGAIEWTVZEUFU-KGLIPLIRSA-N 0 3 290.411 2.134 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CC23CC3)cc1 ZINC000562775097 376997711 /nfs/dbraw/zinc/99/77/11/376997711.db2.gz WUKCWPHSKMOKKA-CABCVRRESA-N 0 3 279.343 2.157 20 30 CEEDHN Cc1nc(NC[C@H](C)N(C)C)c(Cl)cc1C#N ZINC000290950015 376998558 /nfs/dbraw/zinc/99/85/58/376998558.db2.gz LVNDHVOLCKWCAL-QMMMGPOBSA-N 0 3 252.749 2.277 20 30 CEEDHN C#C[C@H](NCc1cc(C(=O)OC)c(C)n1C)C(C)(C)C ZINC000291051884 377050522 /nfs/dbraw/zinc/05/05/22/377050522.db2.gz NGXMIULREDTSLK-AWEZNQCLSA-N 0 3 276.380 2.258 20 30 CEEDHN C#CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000290969079 377006672 /nfs/dbraw/zinc/00/66/72/377006672.db2.gz IJZXXSOQSXMKLD-NVXWUHKLSA-N 0 3 299.418 2.172 20 30 CEEDHN COCc1ncsc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000330467699 377148869 /nfs/dbraw/zinc/14/88/69/377148869.db2.gz JKXLGAINVOFYES-VHSXEESVSA-N 0 3 283.397 2.077 20 30 CEEDHN C[C@@H](C(=O)NCCc1cccc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000330538624 377175960 /nfs/dbraw/zinc/17/59/60/377175960.db2.gz QOXLZOGAOULLHZ-ZNMIVQPWSA-N 0 3 299.418 2.478 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)c2ccc(C#N)cc2)C1 ZINC000330978264 377222774 /nfs/dbraw/zinc/22/27/74/377222774.db2.gz OVNQLYQCIHUQIS-UHFFFAOYSA-N 0 3 285.391 2.410 20 30 CEEDHN C#CCN(C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000292459347 377247650 /nfs/dbraw/zinc/24/76/50/377247650.db2.gz PACMXYAWDYQKSN-INIZCTEOSA-N 0 3 287.407 2.126 20 30 CEEDHN CC(=O)N[C@@H](C)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000331096946 377279828 /nfs/dbraw/zinc/27/98/28/377279828.db2.gz AUWJSSWRTJOZOS-ZDUSSCGKSA-N 0 3 285.391 2.295 20 30 CEEDHN C[C@H](NCCn1cccn1)c1ccc(C#N)c(F)c1 ZINC000346140797 217813451 /nfs/dbraw/zinc/81/34/51/217813451.db2.gz WCJAJYXDYVSOBO-NSHDSACASA-N 0 3 258.300 2.245 20 30 CEEDHN C#CCCOc1ccc(CN[C@H](C)Cn2ccnc2)cc1 ZINC000264943806 190146447 /nfs/dbraw/zinc/14/64/47/190146447.db2.gz HRNGHNGCUAWBLH-OAHLLOKOSA-N 0 3 283.375 2.464 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H](C1CC1)C(C)(C)CO ZINC000293005856 377390253 /nfs/dbraw/zinc/39/02/53/377390253.db2.gz JKGOTQMJSXITLQ-MRXNPFEDSA-N 0 3 288.391 2.454 20 30 CEEDHN C=CCC(C)(C)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000564736172 377443569 /nfs/dbraw/zinc/44/35/69/377443569.db2.gz JLWYHHVJKCZPEV-QWHCGFSZSA-N 0 3 250.386 2.284 20 30 CEEDHN C=C(CC)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428771190 377502031 /nfs/dbraw/zinc/50/20/31/377502031.db2.gz HLIOUKNSTKUKKB-CQSZACIVSA-N 0 3 257.337 2.373 20 30 CEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)Nc1ccccc1 ZINC000429723430 377519125 /nfs/dbraw/zinc/51/91/25/377519125.db2.gz UYZOEIFQZAFMLP-OAHLLOKOSA-N 0 3 289.423 2.453 20 30 CEEDHN CCc1nn(C)c(CC)c1CNCC1(CC#N)CC1 ZINC000430050662 377524205 /nfs/dbraw/zinc/52/42/05/377524205.db2.gz BTORNMUEXFOUJE-UHFFFAOYSA-N 0 3 260.385 2.328 20 30 CEEDHN Cc1noc([C@@H]2CCN(Cc3ccc(C#N)cc3)C2)n1 ZINC000332085541 377515708 /nfs/dbraw/zinc/51/57/08/377515708.db2.gz QRDQVMZUVQJPFL-CQSZACIVSA-N 0 3 268.320 2.239 20 30 CEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C(C)(F)F ZINC000293361657 377535456 /nfs/dbraw/zinc/53/54/56/377535456.db2.gz UQTCEVPUXUQNNJ-UHFFFAOYSA-N 0 3 295.333 2.104 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000332327738 377568689 /nfs/dbraw/zinc/56/86/89/377568689.db2.gz MNVUFPWRYRBRPZ-AWEZNQCLSA-N 0 3 267.336 2.056 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000431513072 377647015 /nfs/dbraw/zinc/64/70/15/377647015.db2.gz JNZRRTAAYBWUSN-ZBFHGGJFSA-N 0 3 286.375 2.396 20 30 CEEDHN CCN(C[C@@H]1CCCN1CC)C(=O)C1(C#N)CC(C)C1 ZINC000565616954 377682026 /nfs/dbraw/zinc/68/20/26/377682026.db2.gz IOLQHVIDKYVWGO-BBBYJDLNSA-N 0 3 277.412 2.259 20 30 CEEDHN CC(C)(CCC#N)CN1CC[C@H](Nc2ncccn2)C1 ZINC000566248137 377749140 /nfs/dbraw/zinc/74/91/40/377749140.db2.gz PDAYTBGWVJDOEI-ZDUSSCGKSA-N 0 3 273.384 2.293 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCCCO1 ZINC000433307220 377786856 /nfs/dbraw/zinc/78/68/56/377786856.db2.gz UXXSXJSQVQDKMK-CVEARBPZSA-N 0 3 286.375 2.444 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)c1ccccc1CN(C)C ZINC000433372441 377792224 /nfs/dbraw/zinc/79/22/24/377792224.db2.gz DOEJSOFOXWHQME-ZDUSSCGKSA-N 0 3 259.353 2.170 20 30 CEEDHN C=CCOc1ccc(CN(C)CC2(CO)CC2)cc1 ZINC000438331012 377896504 /nfs/dbraw/zinc/89/65/04/377896504.db2.gz MOPBSGCQSGHRBJ-UHFFFAOYSA-N 0 3 261.365 2.456 20 30 CEEDHN COC(=O)CCC(C)(C)NCc1ccc(C#N)c(OC)c1 ZINC000442834151 378006512 /nfs/dbraw/zinc/00/65/12/378006512.db2.gz AJGSBFRGBKMRPM-UHFFFAOYSA-N 0 3 290.363 2.388 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)NCC1CCC(C#N)CC1 ZINC000442178725 377963189 /nfs/dbraw/zinc/96/31/89/377963189.db2.gz WSUBNQSDBSTRML-YMAMQOFZSA-N 0 3 292.427 2.100 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2CN2CCOCC2)C1 ZINC000442655518 377976410 /nfs/dbraw/zinc/97/64/10/377976410.db2.gz SUVOZKMCUNCXRV-MAUKXSAKSA-N 0 3 299.418 2.301 20 30 CEEDHN C#CCN(Cc1ccccc1)CC1(C(=O)OC)CC1 ZINC000294911451 378027773 /nfs/dbraw/zinc/02/77/73/378027773.db2.gz BMYNGLUNDDRZDM-UHFFFAOYSA-N 0 3 257.333 2.075 20 30 CEEDHN C[C@@H]1CCN(CCCCC(C)(C)C#N)[C@H](C(N)=O)C1 ZINC000444666473 378078320 /nfs/dbraw/zinc/07/83/20/378078320.db2.gz BARLBLULVKOMRK-OLZOCXBDSA-N 0 3 265.401 2.292 20 30 CEEDHN C=CC[C@H]1N(CC(=O)NC2CCOCC2)CCCC1(C)C ZINC000444775812 378080232 /nfs/dbraw/zinc/08/02/32/378080232.db2.gz APRXNDQNTYAYBH-OAHLLOKOSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CC[C@@H]1N(CC(=O)NC[C@@H]2CCCO2)CCCC1(C)C ZINC000444794312 378081458 /nfs/dbraw/zinc/08/14/58/378081458.db2.gz VBMYISANASHUQY-GJZGRUSLSA-N 0 3 294.439 2.348 20 30 CEEDHN CC(C)[C@H]1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000446731666 378086537 /nfs/dbraw/zinc/08/65/37/378086537.db2.gz KDTCCEAQPXBTCH-ZFWWWQNUSA-N 0 3 265.401 2.019 20 30 CEEDHN CC(C)[C@@H]1CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000446727018 378086701 /nfs/dbraw/zinc/08/67/01/378086701.db2.gz TUGKMCVDECIFLW-SQWLQELKSA-N 0 3 279.428 2.407 20 30 CEEDHN CN(CC#Cc1ccc(F)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000447044184 378088112 /nfs/dbraw/zinc/08/81/12/378088112.db2.gz IWHNMMCJUSWJPE-QGZVFWFLSA-N 0 3 272.367 2.346 20 30 CEEDHN CC1(C#N)CCC(NCc2nnnn2-c2ccccc2)CC1 ZINC000449103593 378197439 /nfs/dbraw/zinc/19/74/39/378197439.db2.gz QZHAKKXKYFJPRJ-UHFFFAOYSA-N 0 3 296.378 2.224 20 30 CEEDHN C=CCOc1ccccc1CNCC[C@](C)(O)COC ZINC000449383348 378208381 /nfs/dbraw/zinc/20/83/81/378208381.db2.gz GRTIWJCNMVAAOZ-INIZCTEOSA-N 0 3 279.380 2.129 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)c(OC)c1C ZINC000449520412 378215022 /nfs/dbraw/zinc/21/50/22/378215022.db2.gz PJCOZUJVPNSKSO-KGLIPLIRSA-N 0 3 277.364 2.445 20 30 CEEDHN C=C(CC)CNCc1ccccc1OCC(=O)N(C)C ZINC000449730659 378224722 /nfs/dbraw/zinc/22/47/22/378224722.db2.gz FWMOZWFGLSBRQF-UHFFFAOYSA-N 0 3 276.380 2.209 20 30 CEEDHN CC[C@](C)(CO)NC(=O)C(C#N)CCc1ccccc1 ZINC000450406686 378400894 /nfs/dbraw/zinc/40/08/94/378400894.db2.gz RYJZUNLIRVWUQN-GDBMZVCRSA-N 0 3 274.364 2.036 20 30 CEEDHN CC[C@@H](C)N1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000296054787 378404423 /nfs/dbraw/zinc/40/44/23/378404423.db2.gz QRNXJSNNFXUXKG-CYBMUJFWSA-N 0 3 283.379 2.126 20 30 CEEDHN CC[C@@H](N[C@H]1CCCCNC1=O)c1ccc(C#N)cc1 ZINC000278347276 193935506 /nfs/dbraw/zinc/93/55/06/193935506.db2.gz YNOKKIWVQNNYPZ-CABCVRRESA-N 0 3 271.364 2.268 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000450383022 378385804 /nfs/dbraw/zinc/38/58/04/378385804.db2.gz YRVKMNBNCDRJBR-HZMBPMFUSA-N 0 3 286.335 2.361 20 30 CEEDHN C#Cc1ccc(CNC(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000296681468 378616189 /nfs/dbraw/zinc/61/61/89/378616189.db2.gz PRONPLHDVJIMBR-CQSZACIVSA-N 0 3 297.402 2.118 20 30 CEEDHN C#Cc1ccc(CNC(=O)N(C)CC2(N(C)C)CCC2)cc1 ZINC000297034981 378662900 /nfs/dbraw/zinc/66/29/00/378662900.db2.gz WXODLTGYFPTEOV-UHFFFAOYSA-N 0 3 299.418 2.294 20 30 CEEDHN CNC(=O)C(C)(C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000346651386 217975432 /nfs/dbraw/zinc/97/54/32/217975432.db2.gz SJXPCWHWRBUXOX-JTQLQIEISA-N 0 3 277.343 2.120 20 30 CEEDHN C[C@@H]1CCC(C)(C)N1CC(=O)NCc1cccc(C#N)c1 ZINC000452000006 378726210 /nfs/dbraw/zinc/72/62/10/378726210.db2.gz BDVVQFSXNHQUIO-CYBMUJFWSA-N 0 3 285.391 2.437 20 30 CEEDHN C=CCN1CCC(Nc2cncc(Cl)n2)CC1 ZINC000266183036 190238095 /nfs/dbraw/zinc/23/80/95/190238095.db2.gz AYGNSPNOGVOGPH-UHFFFAOYSA-N 0 3 252.749 2.192 20 30 CEEDHN C=CCN(CC[C@@H]1CCNC1=O)Cc1cccs1 ZINC000514610895 379131599 /nfs/dbraw/zinc/13/15/99/379131599.db2.gz CLCYKFYNTWFGGV-LBPRGKRZSA-N 0 3 264.394 2.262 20 30 CEEDHN CSCCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000266541123 190265486 /nfs/dbraw/zinc/26/54/86/190265486.db2.gz PSASFBQBLWXHPE-UHFFFAOYSA-N 0 3 289.448 2.429 20 30 CEEDHN CC(C)CC[C@](C)(O)CNCc1ccc(C#N)o1 ZINC000304288859 379546990 /nfs/dbraw/zinc/54/69/90/379546990.db2.gz IXKLAWZENIIYRA-AWEZNQCLSA-N 0 3 250.342 2.428 20 30 CEEDHN C[C@H](CNc1cnc(C#N)cn1)N1CCCC[C@H]1C ZINC000355331443 220267210 /nfs/dbraw/zinc/26/72/10/220267210.db2.gz FOKWXNABHHESBP-VXGBXAGGSA-N 0 3 259.357 2.023 20 30 CEEDHN CC(C)N(Cc1ccc(C#N)cc1F)C[C@H](C)O ZINC000304006886 379511325 /nfs/dbraw/zinc/51/13/25/379511325.db2.gz TUVXAHYUPBLVNL-NSHDSACASA-N 0 3 250.317 2.289 20 30 CEEDHN C=CCNC(=O)CN1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000266924695 190291206 /nfs/dbraw/zinc/29/12/06/190291206.db2.gz JQGDYCRMANRKLC-ZBFHGGJFSA-N 0 3 272.392 2.242 20 30 CEEDHN C[C@H]1CCN(CCNC(=O)Nc2ccc(C#N)cc2)C1 ZINC000524771133 379636215 /nfs/dbraw/zinc/63/62/15/379636215.db2.gz CCHNHRGLYRLTRP-LBPRGKRZSA-N 0 3 272.352 2.022 20 30 CEEDHN CN(C)[C@]1(CNc2ccc(Cl)c(C#N)n2)CCSC1 ZINC000267040231 190298793 /nfs/dbraw/zinc/29/87/93/190298793.db2.gz CLGRBRKMZUBCRU-ZDUSSCGKSA-N 0 3 296.827 2.456 20 30 CEEDHN CCC(CC)(CC(=O)OC)NCc1ccc(C#N)o1 ZINC000267218657 190312706 /nfs/dbraw/zinc/31/27/06/190312706.db2.gz CPRASBXKTXQNHG-UHFFFAOYSA-N 0 3 264.325 2.363 20 30 CEEDHN CCC(CC)(CO)CNCc1cnc2ccc(C#N)cn12 ZINC000305273347 379700409 /nfs/dbraw/zinc/70/04/09/379700409.db2.gz ZHECLCQIIOUEEM-UHFFFAOYSA-N 0 3 286.379 2.094 20 30 CEEDHN C#CCN(CC)Cc1ccc(OCc2nccn2C)cc1 ZINC000267287530 190318256 /nfs/dbraw/zinc/31/82/56/190318256.db2.gz JKCZWNNVIICHEB-UHFFFAOYSA-N 0 3 283.375 2.454 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2[C@H](C3CC3)[C@@H]2C)CC1 ZINC000528451363 379975492 /nfs/dbraw/zinc/97/54/92/379975492.db2.gz XOWBHTFXWRCPBK-TUKIKUTGSA-N 0 3 262.397 2.045 20 30 CEEDHN C=C(CC)CN1CCC(Cc2nc(CCOC)no2)CC1 ZINC000528623106 380034513 /nfs/dbraw/zinc/03/45/13/380034513.db2.gz DKCKLQIPRKINSR-UHFFFAOYSA-N 0 3 293.411 2.479 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)C(C#N)(CC)CC ZINC000528518825 380001690 /nfs/dbraw/zinc/00/16/90/380001690.db2.gz IKJUWGXJRAFXCG-CYBMUJFWSA-N 0 3 265.401 2.307 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1cccc(F)c1C#N ZINC000267721510 190350173 /nfs/dbraw/zinc/35/01/73/190350173.db2.gz TUAGVCPAENSSCQ-BXUZGUMPSA-N 0 3 261.344 2.474 20 30 CEEDHN COCCC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000528576675 380021538 /nfs/dbraw/zinc/02/15/38/380021538.db2.gz XHNGZBKTVWJDTL-KRWDZBQOSA-N 0 3 288.391 2.340 20 30 CEEDHN C=CCN1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000528715577 380061101 /nfs/dbraw/zinc/06/11/01/380061101.db2.gz LSGGEEROPNBYPP-UHFFFAOYSA-N 0 3 291.395 2.404 20 30 CEEDHN C=CCOc1ccc(CNCC2(C(=O)OC)CC2)cc1 ZINC000486913572 380082736 /nfs/dbraw/zinc/08/27/36/380082736.db2.gz XIJAAQMTWRIIRZ-UHFFFAOYSA-N 0 3 275.348 2.294 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(CCOC)[C@@H]1CCC[C@@H]1C ZINC000487995530 380091105 /nfs/dbraw/zinc/09/11/05/380091105.db2.gz AUCISIWMELBODP-JKSUJKDBSA-N 0 3 294.439 2.324 20 30 CEEDHN N#CC(C(=O)[C@@H]1C[C@H]1c1ccsc1)C(=O)N1CCCC1 ZINC000528917437 380135297 /nfs/dbraw/zinc/13/52/97/380135297.db2.gz UEFYPQFUAQZHGZ-YNEHKIRRSA-N 0 3 288.372 2.183 20 30 CEEDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ccc(Cl)c(C#N)n1 ZINC000268183060 190384242 /nfs/dbraw/zinc/38/42/42/190384242.db2.gz UBZKKIUPSGVVNW-GXFFZTMASA-N 0 3 278.787 2.383 20 30 CEEDHN C[C@H]1C[C@H]1N1CCN(c2cnccc2C#N)C[C@@H](C)C1 ZINC000488737893 380124659 /nfs/dbraw/zinc/12/46/59/380124659.db2.gz SHJXUFYHVPYARY-KCQAQPDRSA-N 0 3 270.380 2.120 20 30 CEEDHN CC(C#N)C(=O)N1CCC(Oc2cccc(F)c2)CC1 ZINC000529624039 380181244 /nfs/dbraw/zinc/18/12/44/380181244.db2.gz VXARSJDLVJFRTM-LLVKDONJSA-N 0 3 276.311 2.355 20 30 CEEDHN N#CC1(C(=O)NC[C@@H]2CCN2C2CCCC2)CCCC1 ZINC000530027194 380193061 /nfs/dbraw/zinc/19/30/61/380193061.db2.gz OLFOYNUMHWPKBE-AWEZNQCLSA-N 0 3 275.396 2.203 20 30 CEEDHN CCN1CCCC[C@@H]1C(=O)N1CCC(CC#N)CC1 ZINC000334164660 380247161 /nfs/dbraw/zinc/24/71/61/380247161.db2.gz AAOJMDXLZDAZNY-CQSZACIVSA-N 0 3 263.385 2.013 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@]2(CCCOC2)C1 ZINC000531342778 380207842 /nfs/dbraw/zinc/20/78/42/380207842.db2.gz UJLJBHUXKVIAFA-QGZVFWFLSA-N 0 3 294.439 2.304 20 30 CEEDHN CC(C)(O)CN(Cc1ccccc1C#N)C1CCOCC1 ZINC000531416075 380208860 /nfs/dbraw/zinc/20/88/60/380208860.db2.gz IPFNLUCLDPUGAA-UHFFFAOYSA-N 0 3 288.391 2.310 20 30 CEEDHN Cn1nnc2cc(CN3CCC(CC#N)CC3)ccc21 ZINC000542854025 380319468 /nfs/dbraw/zinc/31/94/68/380319468.db2.gz NFFVBBUKCAVBPY-UHFFFAOYSA-N 0 3 269.352 2.094 20 30 CEEDHN C#C[C@@H](NC(=O)/C=C/CN(C)C)c1ccc(Cl)cc1 ZINC000491474179 380323495 /nfs/dbraw/zinc/32/34/95/380323495.db2.gz KPPVLFRHKLTQHP-VBROQKIQSA-N 0 3 276.767 2.248 20 30 CEEDHN C#C[C@@H](NC[C@@H](O)COc1ccc(SC)cc1)C(C)C ZINC000491640653 380340525 /nfs/dbraw/zinc/34/05/25/380340525.db2.gz YRDJZSYPHYIERA-CZUORRHYSA-N 0 3 293.432 2.396 20 30 CEEDHN CN(C)C/C=C/C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000493560277 269684695 /nfs/dbraw/zinc/68/46/95/269684695.db2.gz SJOJMJNZEBVWLM-RRGWEWPQSA-N 0 3 283.375 2.170 20 30 CEEDHN C[C@@H]1C[C@H](C)N1CCC(=O)Nc1ccccc1C#N ZINC000548752540 380557033 /nfs/dbraw/zinc/55/70/33/380557033.db2.gz CHXMQQOMEWAHRR-TXEJJXNPSA-N 0 3 257.337 2.370 20 30 CEEDHN CC1(C)SC[C@H]1NCc1cnc2ccc(C#N)cn12 ZINC000549268217 380597285 /nfs/dbraw/zinc/59/72/85/380597285.db2.gz MQEYWYQXVHUILE-GFCCVEGCSA-N 0 3 272.377 2.190 20 30 CEEDHN C[C@H](C#N)CNC(=O)Nc1ccccc1CCN(C)C ZINC000556027787 380864793 /nfs/dbraw/zinc/86/47/93/380864793.db2.gz IJGMSRHSFODYJN-GFCCVEGCSA-N 0 3 274.368 2.072 20 30 CEEDHN CCc1ccc([C@H](C#N)NC(=O)/C=C\CN(C)C)cc1 ZINC000493634159 381100355 /nfs/dbraw/zinc/10/03/55/381100355.db2.gz RVMIKHCJIXDKJX-YVACAVLKSA-N 0 3 271.364 2.048 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000494256304 381156207 /nfs/dbraw/zinc/15/62/07/381156207.db2.gz IHGWDBAOXHQXKD-ZJIFWQFVSA-N 0 3 294.439 2.204 20 30 CEEDHN C#CCCN1CCCC[C@@H]1COC(=O)NCCC ZINC000495708910 381181558 /nfs/dbraw/zinc/18/15/58/381181558.db2.gz XVICKBPWXQPEEN-CYBMUJFWSA-N 0 3 252.358 2.000 20 30 CEEDHN CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)C(C)C#N ZINC000495764288 381183257 /nfs/dbraw/zinc/18/32/57/381183257.db2.gz PTMFWPKGNMDERY-STQMWFEESA-N 0 3 295.383 2.053 20 30 CEEDHN C#CCCN(C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000495971075 381192813 /nfs/dbraw/zinc/19/28/13/381192813.db2.gz RGQOCCOKMZEHBB-UHFFFAOYSA-N 0 3 266.385 2.389 20 30 CEEDHN CN(C)C(=O)O[C@@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000496490214 381215674 /nfs/dbraw/zinc/21/56/74/381215674.db2.gz KTFPFUAQGAYGEO-CYBMUJFWSA-N 0 3 281.400 2.479 20 30 CEEDHN Cc1cc(C#N)nc(NC[C@H](c2ccccc2)N(C)C)n1 ZINC000280988016 195059594 /nfs/dbraw/zinc/05/95/94/195059594.db2.gz OBRLEEFFXORPFG-OAHLLOKOSA-N 0 3 281.363 2.372 20 30 CEEDHN CCN1C[C@H](C)N(Cc2cnc3ccc(C#N)cn23)C[C@H]1C ZINC000353801317 220336051 /nfs/dbraw/zinc/33/60/51/220336051.db2.gz DYOGRMNWLHHQAZ-KGLIPLIRSA-N 0 3 297.406 2.120 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](F)C2)cc1 ZINC000574818358 335050121 /nfs/dbraw/zinc/05/01/21/335050121.db2.gz PWQSLPPAWGEODO-HUUCEWRRSA-N 0 3 285.322 2.201 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000336099469 533113133 /nfs/dbraw/zinc/11/31/33/533113133.db2.gz FBAYJSJBSXTWQT-GWCFXTLKSA-N 0 3 260.362 2.293 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000347753535 533237085 /nfs/dbraw/zinc/23/70/85/533237085.db2.gz LPOBYDGZYQSIJH-DTWKUNHWSA-N 0 3 288.282 2.213 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC[C@@H](CCO)CC1 ZINC000421011771 394461372 /nfs/dbraw/zinc/46/13/72/394461372.db2.gz HKKHZXTWSMXPHD-OAHLLOKOSA-N 0 3 288.391 2.422 20 30 CEEDHN Cc1ccc([C@@H](CNc2ccc(C#N)nn2)N2CCCC2)o1 ZINC000301991656 394470263 /nfs/dbraw/zinc/47/02/63/394470263.db2.gz MTPPARWVEXFJON-CQSZACIVSA-N 0 3 297.362 2.499 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000355646355 394486944 /nfs/dbraw/zinc/48/69/44/394486944.db2.gz WBYFSMRKZCVXPN-XQLPTFJDSA-N 0 3 294.439 2.203 20 30 CEEDHN COc1cc(C[NH2+]CCCCC#N)c([N+](=O)[O-])cc1[O-] ZINC000237138959 394490739 /nfs/dbraw/zinc/49/07/39/394490739.db2.gz OGWBLXKFPOABOX-UHFFFAOYSA-N 0 3 279.296 2.092 20 30 CEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)NCCN(C)CC ZINC000413187595 394499892 /nfs/dbraw/zinc/49/98/92/394499892.db2.gz RVFOFKMEVIYMTI-INIZCTEOSA-N 0 3 289.423 2.425 20 30 CEEDHN C[C@H]1C[C@@H](Nc2ncc(C#N)cc2F)CN1C1CC1 ZINC000413188512 394501355 /nfs/dbraw/zinc/50/13/55/394501355.db2.gz UWKHDVHBTNTVFL-GXSJLCMTSA-N 0 3 260.316 2.129 20 30 CEEDHN N#Cc1ccc(CNCCc2cccc(C(N)=O)c2)c(F)c1 ZINC000355704080 394508665 /nfs/dbraw/zinc/50/86/65/394508665.db2.gz WDIXANOFDXQYIG-UHFFFAOYSA-N 0 3 297.333 2.129 20 30 CEEDHN Cn1ccc(CCNC(=O)[C@H]2CCCN2C2CCCC2)n1 ZINC000329442135 394563980 /nfs/dbraw/zinc/56/39/80/394563980.db2.gz BNCWUGPRLFVWAY-OAHLLOKOSA-N 0 3 290.411 2.326 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)C[C@H]2CCCC(=O)N2)CCN1C ZINC000329549366 394571895 /nfs/dbraw/zinc/57/18/95/394571895.db2.gz IZFTVBNEIWUPML-IJLUTSLNSA-N 0 3 267.373 2.325 20 30 CEEDHN C[C@@H](NC(=O)CSc1nncs1)C1=CCN(C)CC1 ZINC000329707345 394581025 /nfs/dbraw/zinc/58/10/25/394581025.db2.gz LOBASPHXMDJVFU-SECBINFHSA-N 0 3 298.437 2.237 20 30 CEEDHN N#Cc1ccc2ncc(CN3CCC[C@@H](CCO)CC3)n2c1 ZINC000421398235 394523536 /nfs/dbraw/zinc/52/35/36/394523536.db2.gz NYAGJBTWZUCKAK-CQSZACIVSA-N 0 3 298.390 2.190 20 30 CEEDHN C=C[C@H](CO)NCc1cc(C)c(Br)s1 ZINC000308762084 394530706 /nfs/dbraw/zinc/53/07/06/394530706.db2.gz YJZKBIUKDNPRCB-MRVPVSSYSA-N 0 3 276.199 2.456 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CCc2c[nH]nc2C1)N1[C@H](C)CC[C@@H]1C ZINC000329867475 394590036 /nfs/dbraw/zinc/59/00/36/394590036.db2.gz WBBPUCXHEJOWPD-GFQSEFKGSA-N 0 3 290.411 2.485 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccc(O)c(OCC)c1 ZINC000320293645 394545778 /nfs/dbraw/zinc/54/57/78/394545778.db2.gz RDVHSKSTLNZDJW-CYBMUJFWSA-N 0 3 265.353 2.208 20 30 CEEDHN C[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)N1[C@H](C)CC[C@@H]1C ZINC000413589501 394592316 /nfs/dbraw/zinc/59/23/16/394592316.db2.gz XJOWYYKYLGCMBM-RNJOBUHISA-N 0 3 265.401 2.302 20 30 CEEDHN C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@@H](C2CC2)C1 ZINC000328918853 394557068 /nfs/dbraw/zinc/55/70/68/394557068.db2.gz BKTBRQUOAJVURG-MWLCHTKSSA-N 0 3 265.357 2.140 20 30 CEEDHN C[C@H](NCC1(CC(N)=O)CC1)c1ccc(C#N)cc1F ZINC000421874799 394623755 /nfs/dbraw/zinc/62/37/55/394623755.db2.gz IMKCEYPJERSQSL-JTQLQIEISA-N 0 3 275.327 2.004 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N(CC(=O)NC2(C#N)CCC2)C1 ZINC000334258458 394668833 /nfs/dbraw/zinc/66/88/33/394668833.db2.gz OYDUAXHKDFFQSI-OLZOCXBDSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000359059534 394738972 /nfs/dbraw/zinc/73/89/72/394738972.db2.gz FFPSEDPYKMVGDH-ZIAGYGMSSA-N 0 3 280.412 2.101 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000335149457 394743877 /nfs/dbraw/zinc/74/38/77/394743877.db2.gz QTNYTBRCVYPWCW-DGCLKSJQSA-N 0 3 275.327 2.070 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000334303811 394673538 /nfs/dbraw/zinc/67/35/38/394673538.db2.gz BVOPHSVKKKGLHD-CHWSQXEVSA-N 0 3 285.347 2.023 20 30 CEEDHN C[C@H](C1CCC1)N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000357010821 394681376 /nfs/dbraw/zinc/68/13/76/394681376.db2.gz MRRXTTZMPGMTDJ-CYBMUJFWSA-N 0 3 285.391 2.295 20 30 CEEDHN CC(C)(C#N)CC(=O)N1CCN(C2CCCCC2)CC1 ZINC000334451023 394686853 /nfs/dbraw/zinc/68/68/53/394686853.db2.gz UNANGFIHEMUJCJ-UHFFFAOYSA-N 0 3 277.412 2.403 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000335315753 394758554 /nfs/dbraw/zinc/75/85/54/394758554.db2.gz WHYRQBCIXZEVHB-UKRRQHHQSA-N 0 3 250.386 2.143 20 30 CEEDHN COc1ccccc1[C@@H](C)NCCC(=O)N(C)CCC#N ZINC000271732792 394762161 /nfs/dbraw/zinc/76/21/61/394762161.db2.gz UNWQREMTMMLSMV-CYBMUJFWSA-N 0 3 289.379 2.108 20 30 CEEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(C#N)[nH]1 ZINC000271907598 394765409 /nfs/dbraw/zinc/76/54/09/394765409.db2.gz HVYTWOGARPNVBE-ZDUSSCGKSA-N 0 3 296.374 2.137 20 30 CEEDHN Fc1ccc(C#CCN2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000335424530 394765699 /nfs/dbraw/zinc/76/56/99/394765699.db2.gz RWWLWBKJPMXDAK-ZBFHGGJFSA-N 0 3 259.324 2.288 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NCCN(C)CCCC ZINC000359688806 394772502 /nfs/dbraw/zinc/77/25/02/394772502.db2.gz PHRCLBIJEOHJJV-ZDUSSCGKSA-N 0 3 255.406 2.372 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CCCO)CC1 ZINC000360086359 394789186 /nfs/dbraw/zinc/78/91/86/394789186.db2.gz CJTYGKSVVFACHZ-OAHLLOKOSA-N 0 3 296.455 2.284 20 30 CEEDHN CC(C)CN1CCCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000363378650 394876860 /nfs/dbraw/zinc/87/68/60/394876860.db2.gz BQXINSFIUBNDDF-UHFFFAOYSA-N 0 3 285.391 2.362 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N1CCN(C)CC[C@H]1C ZINC000336161939 394830711 /nfs/dbraw/zinc/83/07/11/394830711.db2.gz QNTIVRPKLHSEJC-GFCCVEGCSA-N 0 3 286.379 2.425 20 30 CEEDHN CCO[C@H]1COCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000362030787 394842292 /nfs/dbraw/zinc/84/22/92/394842292.db2.gz YFCLCPLSVZKKAL-CVEARBPZSA-N 0 3 293.794 2.475 20 30 CEEDHN CCO[C@@H]1COCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000362026931 394842593 /nfs/dbraw/zinc/84/25/93/394842593.db2.gz NQWQXUXEADBDMH-HZPDHXFCSA-N 0 3 293.794 2.475 20 30 CEEDHN COc1ccc(CNC(=O)C(C)C#N)cc1Cl ZINC000362163156 394846541 /nfs/dbraw/zinc/84/65/41/394846541.db2.gz OEVITHYWCVFFQU-MRVPVSSYSA-N 0 3 252.701 2.124 20 30 CEEDHN CCC[C@H](C#N)N(C)C(=O)C1CCN(C2CC2)CC1 ZINC000362406788 394860248 /nfs/dbraw/zinc/86/02/48/394860248.db2.gz ZSVRGXATSFCZSX-CQSZACIVSA-N 0 3 263.385 2.011 20 30 CEEDHN C=CCNC(=O)CN1CCC2(CCCCC2)CC1 ZINC000362433578 394861224 /nfs/dbraw/zinc/86/12/24/394861224.db2.gz PDRZKYBVLFCUNE-UHFFFAOYSA-N 0 3 250.386 2.335 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)N[C@@H]1CCN(C(C)C)C1=O ZINC000285213145 394954209 /nfs/dbraw/zinc/95/42/09/394954209.db2.gz UJDQYLFRPSUXDN-IAGOWNOFSA-N 0 3 284.403 2.220 20 30 CEEDHN C=CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000285213034 394954506 /nfs/dbraw/zinc/95/45/06/394954506.db2.gz WULHSEUMWAOWAT-GXTWGEPZSA-N 0 3 261.369 2.163 20 30 CEEDHN C[C@H](NCC1([S@](C)=O)CC1)c1ccc(OCC#N)cc1 ZINC000282518538 394919963 /nfs/dbraw/zinc/91/99/63/394919963.db2.gz ZLWMEWFORQKYDO-YUNKPMOVSA-N 0 3 292.404 2.151 20 30 CEEDHN C=CCNC(=O)CN[C@@H](C)Cc1cccc(Cl)c1 ZINC000282683204 394922548 /nfs/dbraw/zinc/92/25/48/394922548.db2.gz OQTNNCWEFBVAAB-NSHDSACASA-N 0 3 266.772 2.163 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000338672477 394925698 /nfs/dbraw/zinc/92/56/98/394925698.db2.gz DBPJIMBCBKYOCL-HUUCEWRRSA-N 0 3 280.412 2.054 20 30 CEEDHN CC#CC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000283328135 394932720 /nfs/dbraw/zinc/93/27/20/394932720.db2.gz WJLJIFOFLBPMIZ-UHFFFAOYSA-N 0 3 285.391 2.170 20 30 CEEDHN C=CCN1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283922089 394939226 /nfs/dbraw/zinc/93/92/26/394939226.db2.gz XBMPFOJLXDUDPB-UHFFFAOYSA-N 0 3 276.340 2.239 20 30 CEEDHN CC[C@@H](CO)N(CCOCCC#N)Cc1ccccc1 ZINC000339085852 394942134 /nfs/dbraw/zinc/94/21/34/394942134.db2.gz YDXJCYWBOAEDCH-INIZCTEOSA-N 0 3 276.380 2.190 20 30 CEEDHN CCCCCCCN1CC[C@@H](CS(C)(=O)=O)C1 ZINC000366557055 394948608 /nfs/dbraw/zinc/94/86/08/394948608.db2.gz OGDXDNFMGXLMRE-CYBMUJFWSA-N 0 3 261.431 2.323 20 30 CEEDHN C#CCOc1ccc(CN2CCC3(CCO3)CC2)cc1 ZINC000367093867 394956958 /nfs/dbraw/zinc/95/69/58/394956958.db2.gz VPQPATCKIGZOMB-UHFFFAOYSA-N 0 3 271.360 2.454 20 30 CEEDHN CC#CCCN1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000155327398 395027459 /nfs/dbraw/zinc/02/74/59/395027459.db2.gz MLVUOVUXBJHNOI-AWEZNQCLSA-N 0 3 264.413 2.273 20 30 CEEDHN C=CCC[C@@H](NCCCC(=O)NC)c1ccco1 ZINC000286015387 395001018 /nfs/dbraw/zinc/00/10/18/395001018.db2.gz JKPVKCLZQMZOHH-GFCCVEGCSA-N 0 3 250.342 2.403 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(C)CC1 ZINC000286785552 395028405 /nfs/dbraw/zinc/02/84/05/395028405.db2.gz URIDWUOGAFEASX-KRWDZBQOSA-N 0 3 299.418 2.014 20 30 CEEDHN COc1ccc(C[C@@H](C)CNC(=O)C(C)C#N)cc1OC ZINC000343046844 395030408 /nfs/dbraw/zinc/03/04/08/395030408.db2.gz KLVFINKYFQPTFT-VXGBXAGGSA-N 0 3 290.363 2.158 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000155734645 395029036 /nfs/dbraw/zinc/02/90/36/395029036.db2.gz VCMUBLUEZCCCKY-IRXDYDNUSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCC[C@H](NC[C@H](O)c1cnn(C)c1)c1ccco1 ZINC000286073682 395008394 /nfs/dbraw/zinc/00/83/94/395008394.db2.gz LZQOHIXZEZSUHI-KBPBESRZSA-N 0 3 275.352 2.344 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000286213118 395017263 /nfs/dbraw/zinc/01/72/63/395017263.db2.gz YJSACLHEQQZLOB-RVKKMQEKSA-N 0 3 299.418 2.414 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)C(C)(C)C#N)CN1Cc1ccccc1 ZINC000134945915 394960652 /nfs/dbraw/zinc/96/06/52/394960652.db2.gz DXJYVDXQIJLVSR-DZGCQCFKSA-N 0 3 285.391 2.315 20 30 CEEDHN C=C(C)[C@H](CC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)OCC ZINC000339440807 394961463 /nfs/dbraw/zinc/96/14/63/394961463.db2.gz JIUDFARXCILTSQ-IPYPFGDCSA-N 0 3 280.412 2.099 20 30 CEEDHN C=CCCOCCNC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000339777283 394970460 /nfs/dbraw/zinc/97/04/60/394970460.db2.gz SEVLMWGMNCVVCC-CABCVRRESA-N 0 3 297.443 2.141 20 30 CEEDHN CC[C@@H]1CCCCCN1CC(=O)N(CC)CCC#N ZINC000150740678 394974165 /nfs/dbraw/zinc/97/41/65/394974165.db2.gz KUZZVRWACGUZAZ-CQSZACIVSA-N 0 3 265.401 2.403 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCC[C@@H]2OC)CC1 ZINC000339999752 394976512 /nfs/dbraw/zinc/97/65/12/394976512.db2.gz QNRBDIUFCNYART-HOTGVXAUSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)CN[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000372804844 395047393 /nfs/dbraw/zinc/04/73/93/395047393.db2.gz GESGRUOOPVCDOP-ZFWWWQNUSA-N 0 3 262.328 2.263 20 30 CEEDHN C#CCCCC(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000372939847 395050110 /nfs/dbraw/zinc/05/01/10/395050110.db2.gz IQHHEFRBWFGIGX-HZPDHXFCSA-N 0 3 270.376 2.004 20 30 CEEDHN Cc1cc(NC[C@@H](C)N2CCC[C@@H](C)C2)c(C#N)cn1 ZINC000425202970 395051955 /nfs/dbraw/zinc/05/19/55/395051955.db2.gz DLSBTLHFPDQSLS-TZMCWYRMSA-N 0 3 272.396 2.216 20 30 CEEDHN C=CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000288330281 395057220 /nfs/dbraw/zinc/05/72/20/395057220.db2.gz ZOXYFZYCDGIJGR-HOCLYGCPSA-N 0 3 287.407 2.477 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCCN(CCC)CC1 ZINC000373322445 395058572 /nfs/dbraw/zinc/05/85/72/395058572.db2.gz VOYPOKDBFZLYOI-HZPDHXFCSA-N 0 3 294.439 2.302 20 30 CEEDHN CN1C[C@@H]2CCCN(C(=O)NCC(C)(C)CCC#N)[C@@H]2C1 ZINC000425764543 395067454 /nfs/dbraw/zinc/06/74/54/395067454.db2.gz AAKBAPWKAUJKOD-UONOGXRCSA-N 0 3 292.427 2.052 20 30 CEEDHN C=CCOc1cccc(CN(CCOC)CCN(C)C)c1 ZINC000289379058 395076960 /nfs/dbraw/zinc/07/69/60/395076960.db2.gz CEOZNTBORLIGET-UHFFFAOYSA-N 0 3 292.423 2.261 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000345804533 395078318 /nfs/dbraw/zinc/07/83/18/395078318.db2.gz AXVUUEAOYUFKDK-VGWMRTNUSA-N 0 3 294.439 2.204 20 30 CEEDHN N#CC1(c2ccccn2)CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000374296622 395079725 /nfs/dbraw/zinc/07/97/25/395079725.db2.gz WZCFQQWGUDYGDJ-GJZGRUSLSA-N 0 3 285.391 2.242 20 30 CEEDHN C#Cc1ccc(CN2CCC(Cn3cncn3)CC2)cc1 ZINC000289721644 395084823 /nfs/dbraw/zinc/08/48/23/395084823.db2.gz OLGMJGOFDDKNLL-UHFFFAOYSA-N 0 3 280.375 2.172 20 30 CEEDHN C=C[C@@H](CO)N[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000289759175 395086689 /nfs/dbraw/zinc/08/66/89/395086689.db2.gz LOWNDRFDQMOJGB-QWHCGFSZSA-N 0 3 265.353 2.291 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000346128077 395087764 /nfs/dbraw/zinc/08/77/64/395087764.db2.gz ITRSCEQJYYKCNQ-RRFJBIMHSA-N 0 3 280.412 2.053 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](C)Cc1ccccc1SC ZINC000289811198 395088504 /nfs/dbraw/zinc/08/85/04/395088504.db2.gz ONRNZHYKYZBZGW-AAEUAGOBSA-N 0 3 251.395 2.476 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCCC(C)(C)CC1 ZINC000346268052 395092778 /nfs/dbraw/zinc/09/27/78/395092778.db2.gz CNHOQEBYIBRHPL-CYBMUJFWSA-N 0 3 277.412 2.449 20 30 CEEDHN C[C@H]1[C@@H](Nc2c(C#N)cnc3ccccc32)CCCN1C ZINC000343601070 395042438 /nfs/dbraw/zinc/04/24/38/395042438.db2.gz PQUHXKUUSHNDAM-WFASDCNBSA-N 0 3 280.375 2.423 20 30 CEEDHN C#CCN(CC)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000287729503 395045697 /nfs/dbraw/zinc/04/56/97/395045697.db2.gz BSZNXYHQVQFSFL-GDBMZVCRSA-N 0 3 287.407 2.343 20 30 CEEDHN CC(C)[C@@](C)(CO)NC(=O)C(C#N)CCc1ccccc1 ZINC000427391056 395109161 /nfs/dbraw/zinc/10/91/61/395109161.db2.gz OKQVAYKDBKPJDE-NVXWUHKLSA-N 0 3 288.391 2.282 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)c2cccc(CC#N)c2)CN1C1CC1 ZINC000177168488 395145931 /nfs/dbraw/zinc/14/59/31/395145931.db2.gz XJINKWZBCYWRPH-WFASDCNBSA-N 0 3 283.375 2.108 20 30 CEEDHN C=CCN1CCC(N[C@@H](CC)c2ccn(C)n2)CC1 ZINC000349462010 395168253 /nfs/dbraw/zinc/16/82/53/395168253.db2.gz QXTATWWENKIBQS-AWEZNQCLSA-N 0 3 262.401 2.111 20 30 CEEDHN CCCN(CC(=O)NCc1cccc(C#N)c1)C(C)C ZINC000516087034 395178132 /nfs/dbraw/zinc/17/81/32/395178132.db2.gz ZJJFMRMEWHOIET-UHFFFAOYSA-N 0 3 273.380 2.295 20 30 CEEDHN C=CCCCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000418038059 395179035 /nfs/dbraw/zinc/17/90/35/395179035.db2.gz ROXMUYAETZFTQF-JKSUJKDBSA-N 0 3 287.407 2.479 20 30 CEEDHN N#CCCn1cc(CN[C@@H]2CCOC2)c(-c2ccccc2)n1 ZINC000181991711 395228738 /nfs/dbraw/zinc/22/87/38/395228738.db2.gz VCNBMCHJONTOMB-MRXNPFEDSA-N 0 3 296.374 2.342 20 30 CEEDHN C#C[C@@H](NCc1ccc2c(c1)NC(=O)CO2)C(C)(C)C ZINC000293855111 395253404 /nfs/dbraw/zinc/25/34/04/395253404.db2.gz HYVNMVIRDTTXMZ-CQSZACIVSA-N 0 3 272.348 2.155 20 30 CEEDHN CCc1ccc(C#CC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000293459848 395236108 /nfs/dbraw/zinc/23/61/08/395236108.db2.gz LDLQPCJXTASPEY-MSOLQXFVSA-N 0 3 296.414 2.153 20 30 CEEDHN C=C(C)CCN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000351855513 395238365 /nfs/dbraw/zinc/23/83/65/395238365.db2.gz GJNOERDKQAPQMV-OLZOCXBDSA-N 0 3 259.415 2.240 20 30 CEEDHN C#CCNC(=O)CCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000293544385 395239528 /nfs/dbraw/zinc/23/95/28/395239528.db2.gz KORDFRJGAWSSKV-AWEZNQCLSA-N 0 3 276.405 2.271 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000351877747 395239843 /nfs/dbraw/zinc/23/98/43/395239843.db2.gz GYHNAGMPYUZURN-UWVGGRQHSA-N 0 3 270.292 2.073 20 30 CEEDHN Cc1nc(N2CC[C@H](N3CCCCC3)C2)ccc1C#N ZINC000292039403 395183743 /nfs/dbraw/zinc/18/37/43/395183743.db2.gz VDZMFNZJDYROQI-HNNXBMFYSA-N 0 3 270.380 2.326 20 30 CEEDHN Cc1nc(N[C@H]2CN(C3CC3)C[C@H]2C)ccc1C#N ZINC000292100595 395186439 /nfs/dbraw/zinc/18/64/39/395186439.db2.gz ZHILMXPZYAKTNF-YGRLFVJLSA-N 0 3 256.353 2.156 20 30 CEEDHN Cc1cc(C)c(C#N)c(N2CC[C@@]3(CCN(C)C3)C2)n1 ZINC000292307551 395192041 /nfs/dbraw/zinc/19/20/41/395192041.db2.gz OAIZOMYIEUIZQT-MRXNPFEDSA-N 0 3 270.380 2.102 20 30 CEEDHN C=C(C)CCN1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000352412131 395251605 /nfs/dbraw/zinc/25/16/05/395251605.db2.gz CCWHDZHRWXMFKM-MRXNPFEDSA-N 0 3 282.428 2.348 20 30 CEEDHN C[C@@H](CNC(=O)NCCCCC#N)N1CCCC[C@H]1C ZINC000351353894 395207302 /nfs/dbraw/zinc/20/73/02/395207302.db2.gz UZUWDGUUFNGMKH-KGLIPLIRSA-N 0 3 280.416 2.242 20 30 CEEDHN Cc1ccnc(N2CCN(C3CC3)C[C@H](C)C2)c1C#N ZINC000295046314 395284003 /nfs/dbraw/zinc/28/40/03/395284003.db2.gz XOIJMXDKXQNPBH-LBPRGKRZSA-N 0 3 270.380 2.182 20 30 CEEDHN C[C@H](CCC#N)N1CCC(Cc2nccn2C)CC1 ZINC000411246849 395325365 /nfs/dbraw/zinc/32/53/65/395325365.db2.gz OOPOTQOAPJETRG-CYBMUJFWSA-N 0 3 260.385 2.367 20 30 CEEDHN C=CCC[C@@H](O)CN(CC(=O)N1CCCCCC1)C(C)C ZINC000353239445 395290694 /nfs/dbraw/zinc/29/06/94/395290694.db2.gz WLQDWYMZPQKXSR-MRXNPFEDSA-N 0 3 296.455 2.427 20 30 CEEDHN CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000188474815 395316161 /nfs/dbraw/zinc/31/61/61/395316161.db2.gz UWYCQNPBLQSJMU-QWHCGFSZSA-N 0 3 289.379 2.106 20 30 CEEDHN C=CCN(CCc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000411194020 395321329 /nfs/dbraw/zinc/32/13/29/395321329.db2.gz PAGQHBQFXSEJQE-KRWDZBQOSA-N 0 3 288.435 2.438 20 30 CEEDHN N#CC1(CCN2CCC(C(N)=O)CC2)CCCCC1 ZINC000411149065 395322156 /nfs/dbraw/zinc/32/21/56/395322156.db2.gz PAGPNQZYCAJFSO-UHFFFAOYSA-N 0 3 263.385 2.048 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(C)c(CC)s1 ZINC000293879647 395254949 /nfs/dbraw/zinc/25/49/49/395254949.db2.gz CLZKFJRYLFPWCM-UHFFFAOYSA-N 0 3 278.421 2.304 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(Cl)cc1OC ZINC000293896729 395256612 /nfs/dbraw/zinc/25/66/12/395256612.db2.gz DUNCLRRUWRQLFC-UHFFFAOYSA-N 0 3 294.782 2.034 20 30 CEEDHN CC[C@H](CC#N)NC(=O)c1ccccc1OCCN(C)C ZINC000183800550 395262333 /nfs/dbraw/zinc/26/23/33/395262333.db2.gz FTQMTUMHBIWCFV-CYBMUJFWSA-N 0 3 289.379 2.049 20 30 CEEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1CC(=O)NCc1ccc(C#N)cc1 ZINC000419373133 395266247 /nfs/dbraw/zinc/26/62/47/395266247.db2.gz NORLWWVYCBNOEN-HZSPNIEDSA-N 0 3 285.391 2.151 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@]1(C)CCCO ZINC000352869179 395272927 /nfs/dbraw/zinc/27/29/27/395272927.db2.gz OCDBHOWKLBBGKI-INIZCTEOSA-N 0 3 282.428 2.038 20 30 CEEDHN Cc1nc2cc(CNC(=O)C(C)C#N)ccc2n1C1CC1 ZINC000412331366 395354632 /nfs/dbraw/zinc/35/46/32/395354632.db2.gz NPTIEGGALFGISX-SNVBAGLBSA-N 0 3 282.347 2.456 20 30 CEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412567336 395361296 /nfs/dbraw/zinc/36/12/96/395361296.db2.gz CNZHTQWBEDZMPO-BMIGLBTASA-N 0 3 275.327 2.376 20 30 CEEDHN CN(C)c1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000189579252 395329851 /nfs/dbraw/zinc/32/98/51/395329851.db2.gz IKORHKPIBGOJDM-UHFFFAOYSA-N 0 3 268.364 2.253 20 30 CEEDHN C=C[C@](C)(O)CC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000354432133 395331497 /nfs/dbraw/zinc/33/14/97/395331497.db2.gz NLCBAHGZYINILF-DQPZFDDXSA-N 0 3 294.439 2.036 20 30 CEEDHN COc1cc(CN2CCN(C)C[C@H]2C(C)C)ccc1C#N ZINC000442846839 395396409 /nfs/dbraw/zinc/39/64/09/395396409.db2.gz KKGCBUXFICSGLH-INIZCTEOSA-N 0 3 287.407 2.339 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000411783136 395338640 /nfs/dbraw/zinc/33/86/40/395338640.db2.gz FJTFMBPAMIRCNM-FZKCQIBNSA-N 0 3 292.423 2.101 20 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2.161 20 30 CEEDHN COc1ccc(CN2CC[C@@H](OC)[C@@H](C)C2)cc1C#N ZINC000449511783 395552123 /nfs/dbraw/zinc/55/21/23/395552123.db2.gz YYMKNQIFCVUFEF-SWLSCSKDSA-N 0 3 274.364 2.424 20 30 CEEDHN COC[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000449772384 395560658 /nfs/dbraw/zinc/56/06/58/395560658.db2.gz GYXHWERTYXJPQR-AWEZNQCLSA-N 0 3 298.390 2.454 20 30 CEEDHN N#CC1(C(=O)N2CCCN(CC3CCC3)CC2)CCCC1 ZINC000568775139 395570831 /nfs/dbraw/zinc/57/08/31/395570831.db2.gz WQZODNXWHFDYSI-UHFFFAOYSA-N 0 3 289.423 2.405 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCN(C2CC2)C[C@H](C)C1 ZINC000451077042 395582978 /nfs/dbraw/zinc/58/29/78/395582978.db2.gz ABOJEKVEAZQLCK-CQSZACIVSA-N 0 3 299.418 2.483 20 30 CEEDHN CC1(C)[C@H](NC[C@H](C#N)CCC#N)[C@@H]2CCCO[C@@H]21 ZINC000572802418 395587533 /nfs/dbraw/zinc/58/75/33/395587533.db2.gz XDUGPJOMFCQOFK-FQUUOJAGSA-N 0 3 261.369 2.223 20 30 CEEDHN CO[C@H]1CCN(CCOc2cccc(C#N)c2)C[C@H]1C ZINC000451553315 395622584 /nfs/dbraw/zinc/62/25/84/395622584.db2.gz YJGGQTWSTKVKPA-CJNGLKHVSA-N 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C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccnc2)CC1 ZINC000106034111 261320572 /nfs/dbraw/zinc/32/05/72/261320572.db2.gz QYHNPVARIYKMHN-IAGOWNOFSA-N 0 3 299.418 2.342 20 30 CEEDHN C#C[C@@H](C)N(C)Cc1ccc(-n2cncn2)c(C)c1 ZINC000491253397 261390553 /nfs/dbraw/zinc/39/05/53/261390553.db2.gz NMHNHEHLQGAHRM-CYBMUJFWSA-N 0 3 254.337 2.029 20 30 CEEDHN CCN(CCC#N)C(=O)CN1C[C@@H]2CCCCC[C@H]21 ZINC000363926392 262036318 /nfs/dbraw/zinc/03/63/18/262036318.db2.gz WBGDNMBBSCKINE-UONOGXRCSA-N 0 3 263.385 2.013 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C\C1CC1 ZINC000491944566 262159848 /nfs/dbraw/zinc/15/98/48/262159848.db2.gz DCHNARNBDDXRQL-KTKRTIGZSA-N 0 3 297.402 2.415 20 30 CEEDHN C[C@H](CNC(=O)C1(C#N)CCC1)N(C)Cc1ccccc1 ZINC000120806436 262234765 /nfs/dbraw/zinc/23/47/65/262234765.db2.gz APWMFBUEYKMWLB-CQSZACIVSA-N 0 3 285.391 2.317 20 30 CEEDHN C=CC[C@@H](CC)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000354780484 262284539 /nfs/dbraw/zinc/28/45/39/262284539.db2.gz GXABKSWCVQZPFR-ZIAGYGMSSA-N 0 3 257.337 2.029 20 30 CEEDHN C=CCNC(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000365279224 262357410 /nfs/dbraw/zinc/35/74/10/262357410.db2.gz OQVMEJATDXYMOY-DGCLKSJQSA-N 0 3 279.409 2.226 20 30 CEEDHN C=CCCN1CCN(c2ccccc2OCCOC)CC1 ZINC000338567353 262545375 /nfs/dbraw/zinc/54/53/75/262545375.db2.gz MOGYLKFCJMPBMX-UHFFFAOYSA-N 0 3 290.407 2.410 20 30 CEEDHN COCCOCCN(C)CCC1(C#N)CCCCC1 ZINC000411739978 262705847 /nfs/dbraw/zinc/70/58/47/262705847.db2.gz XQVAIQVBROMXAE-UHFFFAOYSA-N 0 3 268.401 2.445 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](CCCO)C2)cc1F ZINC000452120149 263038376 /nfs/dbraw/zinc/03/83/76/263038376.db2.gz LROKINHSYHLFBW-LBPRGKRZSA-N 0 3 262.328 2.292 20 30 CEEDHN N#CCc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000278010927 263045072 /nfs/dbraw/zinc/04/50/72/263045072.db2.gz SKUFFDZAGLOZBY-KRWDZBQOSA-N 0 3 297.402 2.499 20 30 CEEDHN CN(Cc1cn(CCC#N)nc1-c1ccncc1)C1CC1 ZINC000279430790 263055282 /nfs/dbraw/zinc/05/52/82/263055282.db2.gz QHZFOCHYNGHBAN-UHFFFAOYSA-N 0 3 281.363 2.453 20 30 CEEDHN C=CCSCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280019159 263058621 /nfs/dbraw/zinc/05/86/21/263058621.db2.gz MKVFDQBHQRBQTR-OAHLLOKOSA-N 0 3 299.399 2.276 20 30 CEEDHN C[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000280522289 263062631 /nfs/dbraw/zinc/06/26/31/263062631.db2.gz RWYUHRROAPDWIP-ZENOOKHLSA-N 0 3 281.359 2.355 20 30 CEEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H]1C ZINC000280621440 263063500 /nfs/dbraw/zinc/06/35/00/263063500.db2.gz YEZDDFZNSYQISM-XJKCOSOUSA-N 0 3 281.359 2.497 20 30 CEEDHN C=CCN1CC[C@H](N(C)CCCC(C)(C)C#N)C1=O ZINC000281354324 263068224 /nfs/dbraw/zinc/06/82/24/263068224.db2.gz NHUZHRJJQCLSMA-ZDUSSCGKSA-N 0 3 263.385 2.035 20 30 CEEDHN C[C@H](NCCCC#N)c1ccc(C(=O)N(C)C)cc1 ZINC000292096717 263128440 /nfs/dbraw/zinc/12/84/40/263128440.db2.gz JFTLBTNEXITXHW-LBPRGKRZSA-N 0 3 259.353 2.343 20 30 CEEDHN COc1ccc(CN(C)CCOCCC#N)cc1C ZINC000293117241 263138285 /nfs/dbraw/zinc/13/82/85/263138285.db2.gz OZCOUKMGXPYHPH-UHFFFAOYSA-N 0 3 262.353 2.366 20 30 CEEDHN C[C@H](NCCOCCC#N)[C@@H]1OCCc2sccc21 ZINC000293719415 263147821 /nfs/dbraw/zinc/14/78/21/263147821.db2.gz YJYYTZDXWNQWNA-FZMZJTMJSA-N 0 3 280.393 2.270 20 30 CEEDHN C[C@H](C#N)N(C)C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000294482657 263162729 /nfs/dbraw/zinc/16/27/29/263162729.db2.gz XIIBAPBQNKPDAF-GDBMZVCRSA-N 0 3 285.391 2.269 20 30 CEEDHN N#C[C@H](c1ccccc1)N1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000298077094 263214558 /nfs/dbraw/zinc/21/45/58/263214558.db2.gz IBKBUGSNMCQCKC-KURKYZTESA-N 0 3 299.418 2.172 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCCOCC)C(C)C ZINC000298684225 263224095 /nfs/dbraw/zinc/22/40/95/263224095.db2.gz ZOEPOKQODZXIGY-HNNXBMFYSA-N 0 3 297.443 2.021 20 30 CEEDHN N#CCN(CC#N)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000299644855 263250768 /nfs/dbraw/zinc/25/07/68/263250768.db2.gz ISAHYQSXSHLBLE-UHFFFAOYSA-N 0 3 296.374 2.162 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCC[C@@H]2F)cc1 ZINC000340818334 263307219 /nfs/dbraw/zinc/30/72/19/263307219.db2.gz GZURIYFKUUXTOD-ILXRZTDVSA-N 0 3 285.322 2.247 20 30 CEEDHN C=CCOCCNCc1cn(C)nc1-c1cccs1 ZINC000366721472 263323848 /nfs/dbraw/zinc/32/38/48/263323848.db2.gz LBKAQZLTEXPTSA-UHFFFAOYSA-N 0 3 277.393 2.441 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000341166175 263324989 /nfs/dbraw/zinc/32/49/89/263324989.db2.gz KBFVEXCKYLRXBU-HUUCEWRRSA-N 0 3 280.412 2.054 20 30 CEEDHN COc1ccc([C@H](C)NCCC(=O)N(C)CCC#N)cc1 ZINC000341230158 263328339 /nfs/dbraw/zinc/32/83/39/263328339.db2.gz RDYDXFKOSRHUJG-ZDUSSCGKSA-N 0 3 289.379 2.108 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cn2cc(Cl)ccc2n1 ZINC000341374340 263334891 /nfs/dbraw/zinc/33/48/91/263334891.db2.gz OKAQWOBPHDHQJH-LLVKDONJSA-N 0 3 279.771 2.262 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000341431128 263338220 /nfs/dbraw/zinc/33/82/20/263338220.db2.gz KEORMFYBNACRAH-CQSZACIVSA-N 0 3 297.443 2.093 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N1CCCN(C(C)C)CC1 ZINC000341440038 263338334 /nfs/dbraw/zinc/33/83/34/263338334.db2.gz OUXUIDMRCLPWAY-CQSZACIVSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N1CCN(C)CC[C@@H]1C ZINC000341507950 263339832 /nfs/dbraw/zinc/33/98/32/263339832.db2.gz HOCBSPPOAHVHKB-QWHCGFSZSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000341871812 263360602 /nfs/dbraw/zinc/36/06/02/263360602.db2.gz DDZLAWFBNKAKLY-RBSFLKMASA-N 0 3 282.428 2.347 20 30 CEEDHN COCC1(C#N)CCN(CC[C@H]2CCCCO2)CC1 ZINC000342001267 263375386 /nfs/dbraw/zinc/37/53/86/263375386.db2.gz WFQYUJWDHQBMNV-CQSZACIVSA-N 0 3 266.385 2.198 20 30 CEEDHN C=C1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000342110442 263389065 /nfs/dbraw/zinc/38/90/65/263389065.db2.gz WYHBFVGROAKZRK-MCIONIFRSA-N 0 3 250.386 2.426 20 30 CEEDHN Cc1csc(C2(NC(=O)C(C)C#N)CCCC2)n1 ZINC000334305094 263571624 /nfs/dbraw/zinc/57/16/24/263571624.db2.gz GKKPBIIZWGNFNA-SECBINFHSA-N 0 3 263.366 2.497 20 30 CEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C1(C#N)CCCC1 ZINC000334333660 263596546 /nfs/dbraw/zinc/59/65/46/263596546.db2.gz VDDQNBUAWACDNV-ZIAGYGMSSA-N 0 3 275.396 2.156 20 30 CEEDHN C=CC1CCN([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000330703850 264018693 /nfs/dbraw/zinc/01/86/93/264018693.db2.gz QHSZSEJUQSFKLQ-JSGCOSHPSA-N 0 3 293.411 2.047 20 30 CEEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1nccnc1N ZINC000330768310 264033273 /nfs/dbraw/zinc/03/32/73/264033273.db2.gz XXBJBFGONHQNTF-GFCCVEGCSA-N 0 3 291.399 2.018 20 30 CEEDHN COC(=O)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000425353653 264125793 /nfs/dbraw/zinc/12/57/93/264125793.db2.gz MACLRYHHXOUIQE-GXTWGEPZSA-N 0 3 258.321 2.255 20 30 CEEDHN CC1(C)CN(C(=O)C(C#N)CCc2ccccc2)CCO1 ZINC000331183444 264156047 /nfs/dbraw/zinc/15/60/47/264156047.db2.gz HZUYDZONPNTGIW-OAHLLOKOSA-N 0 3 286.375 2.396 20 30 CEEDHN C=CC[C@@H]1N([C@H](C)C(=O)NC(=O)NCC)CCCC1(C)C ZINC000331281966 264172214 /nfs/dbraw/zinc/17/22/14/264172214.db2.gz CTEOOVXQPFHTQR-OLZOCXBDSA-N 0 3 295.427 2.492 20 30 CEEDHN COCCN1CC[C@@H](NC(=O)Nc2ccc(C)s2)C1 ZINC000331281219 264172371 /nfs/dbraw/zinc/17/23/71/264172371.db2.gz FVCUWTDKWLLPFF-LLVKDONJSA-N 0 3 283.397 2.103 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CCCC(C)(C)[C@@H]1CC=C ZINC000331311311 264186547 /nfs/dbraw/zinc/18/65/47/264186547.db2.gz ZQEQRFWWDPVYME-ZDUSSCGKSA-N 0 3 293.411 2.269 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000426007015 264304229 /nfs/dbraw/zinc/30/42/29/264304229.db2.gz YZSFDKPEJOYOSJ-NFAWXSAZSA-N 0 3 277.412 2.219 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000519294665 265387613 /nfs/dbraw/zinc/38/76/13/265387613.db2.gz VZLXROQSMYGAHU-GWCFXTLKSA-N 0 3 285.326 2.393 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000356165694 266061047 /nfs/dbraw/zinc/06/10/47/266061047.db2.gz MDOZVLWNNCXUHE-MNOVXSKESA-N 0 3 286.310 2.348 20 30 CEEDHN C=CCCC1(C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000356281250 266086760 /nfs/dbraw/zinc/08/67/60/266086760.db2.gz NXUMBKQEJMKLFK-OAHLLOKOSA-N 0 3 282.453 2.286 20 30 CEEDHN C=CCCC1(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000356355043 266100393 /nfs/dbraw/zinc/10/03/93/266100393.db2.gz NASUAQCRYWQWLE-JSGCOSHPSA-N 0 3 262.397 2.332 20 30 CEEDHN C=CCCC1(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000356355045 266100421 /nfs/dbraw/zinc/10/04/21/266100421.db2.gz NASUAQCRYWQWLE-TZMCWYRMSA-N 0 3 262.397 2.332 20 30 CEEDHN C=C[C@](C)(O)CC(=O)N(CCC)CCN1CCCCCC1 ZINC000356640621 266153318 /nfs/dbraw/zinc/15/33/18/266153318.db2.gz IAYUZMRJOUERJW-KRWDZBQOSA-N 0 3 296.455 2.428 20 30 CEEDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)C(C)C#N ZINC000356749355 266168719 /nfs/dbraw/zinc/16/87/19/266168719.db2.gz OUONTUGVIMXWOW-CWSCBRNRSA-N 0 3 264.300 2.178 20 30 CEEDHN C=CCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000357047576 266238045 /nfs/dbraw/zinc/23/80/45/266238045.db2.gz JULREDNUXLIPGN-IRXDYDNUSA-N 0 3 299.418 2.336 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)N(CC)CCC#N ZINC000357553941 266321279 /nfs/dbraw/zinc/32/12/79/266321279.db2.gz QIMMUMNEVVASSF-CHWSQXEVSA-N 0 3 251.374 2.011 20 30 CEEDHN C=CCN(C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)C1CC1 ZINC000357572422 266327487 /nfs/dbraw/zinc/32/74/87/266327487.db2.gz NNNFDRZYCCMRDF-KGLIPLIRSA-N 0 3 279.428 2.467 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2ccnc(N(C)C)c2)nc(C)n1 ZINC000357806283 266368948 /nfs/dbraw/zinc/36/89/48/266368948.db2.gz YPSUAMHCCAGRKK-ZDUSSCGKSA-N 0 3 295.346 2.045 20 30 CEEDHN COc1ccc(OC)c([C@@H](C)NC(=O)C(C)C#N)c1 ZINC000357845692 266375277 /nfs/dbraw/zinc/37/52/77/266375277.db2.gz ZHJRVOJWQJINQJ-NXEZZACHSA-N 0 3 262.309 2.041 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(CC)(CC)CC1 ZINC000362586889 267011957 /nfs/dbraw/zinc/01/19/57/267011957.db2.gz ICYSHCQLZZTFJP-CYBMUJFWSA-N 0 3 295.427 2.289 20 30 CEEDHN C[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)[C@@H](C)[C@H]1C ZINC000399689634 267048095 /nfs/dbraw/zinc/04/80/95/267048095.db2.gz UKRYEKCJJMMNLT-AGIUHOORSA-N 0 3 271.364 2.473 20 30 CEEDHN C[C@@H]1C[C@H](Nc2nccc(C#N)n2)CN1Cc1ccccc1 ZINC000398151598 267092579 /nfs/dbraw/zinc/09/25/79/267092579.db2.gz PLDQVTVNWALGRG-CJNGLKHVSA-N 0 3 293.374 2.423 20 30 CEEDHN CC[C@H](CC#N)NC1CCN(c2nnc(C)s2)CC1 ZINC000368133605 267146602 /nfs/dbraw/zinc/14/66/02/267146602.db2.gz GMQOASHSOGOPJZ-LLVKDONJSA-N 0 3 279.413 2.097 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2cccc(C#N)c2)[C@@H]1n1cccn1 ZINC000521470318 267150695 /nfs/dbraw/zinc/15/06/95/267150695.db2.gz KOGPROMHEDJFSD-ZACQAIPSSA-N 0 3 296.374 2.263 20 30 CEEDHN CC[C@H]1CN(CC)CCN1Cc1ccc(C#N)c(OC)c1 ZINC000449567110 267231043 /nfs/dbraw/zinc/23/10/43/267231043.db2.gz UEKHXHBHCCVMCD-INIZCTEOSA-N 0 3 287.407 2.483 20 30 CEEDHN C#CCOc1ccc(CN2CC[C@](O)(C3CC3)C2)cc1 ZINC000369676147 267260121 /nfs/dbraw/zinc/26/01/21/267260121.db2.gz MKKJJKHNVSFZOB-QGZVFWFLSA-N 0 3 271.360 2.045 20 30 CEEDHN C=C(C)CN1CCC(C(=O)Nc2cccnc2)CC1 ZINC000370591185 267329551 /nfs/dbraw/zinc/32/95/51/267329551.db2.gz XQDXWXIMXNAUPM-UHFFFAOYSA-N 0 3 259.353 2.308 20 30 CEEDHN CN1CC=C(CNc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425251351 267332559 /nfs/dbraw/zinc/33/25/59/267332559.db2.gz XNVZNJLXZMUTMR-UHFFFAOYSA-N 0 3 272.308 2.140 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(c2cccc(OC)c2)CC1 ZINC000121106333 267564447 /nfs/dbraw/zinc/56/44/47/267564447.db2.gz PFRFRZKFWJCFMV-MRXNPFEDSA-N 0 3 290.407 2.144 20 30 CEEDHN C[C@H](C#N)Oc1ccc(CN2CC([C@@H]3CCOC3)C2)cc1 ZINC000376021476 267931474 /nfs/dbraw/zinc/93/14/74/267931474.db2.gz MJFLGSGRKKRSTM-UKRRQHHQSA-N 0 3 286.375 2.446 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@H]([C@H](C)O)C1 ZINC000305871748 268010171 /nfs/dbraw/zinc/01/01/71/268010171.db2.gz OVBITABWPVGQKW-KBPBESRZSA-N 0 3 261.365 2.454 20 30 CEEDHN Cc1ccc2ncc(C#N)c(N3CCN[C@@H](C)C3)c2c1 ZINC000420239385 268048617 /nfs/dbraw/zinc/04/86/17/268048617.db2.gz ORFBMSZTSLPGBP-LBPRGKRZSA-N 0 3 266.348 2.213 20 30 CEEDHN CS[C@H]1CN(Cc2cccc(F)c2C#N)C[C@H]1N(C)C ZINC000428308285 271256107 /nfs/dbraw/zinc/25/61/07/271256107.db2.gz ZLJAENJPPNAZDY-CABCVRRESA-N 0 3 293.411 2.175 20 30 CEEDHN C[C@@H]1CN(c2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000376211419 274362447 /nfs/dbraw/zinc/36/24/47/274362447.db2.gz OWBOREOPKKRRCX-QAPCUYQASA-N 0 3 298.434 2.020 20 30 CEEDHN C[C@@H]1C[C@H](C)CN1Cc1cnc2ccc(C#N)cn12 ZINC000334832007 274398574 /nfs/dbraw/zinc/39/85/74/274398574.db2.gz OYNALSRAZOPJLE-NWDGAFQWSA-N 0 3 254.337 2.436 20 30 CEEDHN C=CCOc1cccc(CN[C@H]2CCC[C@H]2C(=O)NC)c1 ZINC000345836571 275432857 /nfs/dbraw/zinc/43/28/57/275432857.db2.gz DDGJPCVOOVGJQZ-CVEARBPZSA-N 0 3 288.391 2.256 20 30 CEEDHN CC1(C)C[C@@]1(C#N)NC(=O)C1CN(C2CCCCC2)C1 ZINC000333967751 276144910 /nfs/dbraw/zinc/14/49/10/276144910.db2.gz SHNRVQGJWGJIJI-INIZCTEOSA-N 0 3 275.396 2.059 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](C(C)(C)C)C1 ZINC000344205064 276350461 /nfs/dbraw/zinc/35/04/61/276350461.db2.gz HFYCGPGZDMDVBK-KBPBESRZSA-N 0 3 279.428 2.363 20 30 CEEDHN CCNC(=O)[C@@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360837388 276418724 /nfs/dbraw/zinc/41/87/24/276418724.db2.gz PQKWHQCMMPNCQI-WBMJQRKESA-N 0 3 285.391 2.440 20 30 CEEDHN C=C(Br)CNCC(CC)(CC)C(=O)OC ZINC000159653551 276854858 /nfs/dbraw/zinc/85/48/58/276854858.db2.gz SKBAISXUZZRJLH-UHFFFAOYSA-N 0 3 278.190 2.464 20 30 CEEDHN C=C1CCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000335836284 276877785 /nfs/dbraw/zinc/87/77/85/276877785.db2.gz HAUTZLDRFATKOE-AWEZNQCLSA-N 0 3 250.386 2.430 20 30 CEEDHN CN1CCC[C@]2(CCN(c3c(C#N)cccc3C#N)C2)C1 ZINC000338747323 277087058 /nfs/dbraw/zinc/08/70/58/277087058.db2.gz UKPRATJDOYLGOA-KRWDZBQOSA-N 0 3 280.375 2.352 20 30 CEEDHN CC(C)(C#N)CCN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000347072514 277121047 /nfs/dbraw/zinc/12/10/47/277121047.db2.gz FGZAXMLPCWWGGY-OAHLLOKOSA-N 0 3 266.385 2.196 20 30 CEEDHN C=C[C@H](C)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000119365513 277910676 /nfs/dbraw/zinc/91/06/76/277910676.db2.gz AGOYHFOZKOMPLG-QWRGUYRKSA-N 0 3 253.367 2.315 20 30 CEEDHN CSC[C@@H](CCO)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353258223 278134078 /nfs/dbraw/zinc/13/40/78/278134078.db2.gz QQUGHUPTARTTRP-UKRRQHHQSA-N 0 3 276.405 2.249 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)N1CCCCCC1 ZINC000331608776 278154588 /nfs/dbraw/zinc/15/45/88/278154588.db2.gz VTJHXBUBFAFGLX-HZSPNIEDSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C1CC1)c1cccc(C#N)c1 ZINC000367372738 278270371 /nfs/dbraw/zinc/27/03/71/278270371.db2.gz ABHDNCIPQSDJBL-UXEPBGEESA-N 0 3 283.375 2.266 20 30 CEEDHN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000329664727 279482900 /nfs/dbraw/zinc/48/29/00/279482900.db2.gz PPUITNBVTYOIFM-KKUMJFAQSA-N 0 3 290.411 2.153 20 30 CEEDHN CN(CCN1CCCC1)Cc1ccc(F)cc1C#N ZINC000089899310 279703543 /nfs/dbraw/zinc/70/35/43/279703543.db2.gz KYXUGDMCHZLICV-UHFFFAOYSA-N 0 3 261.344 2.225 20 30 CEEDHN N#Cc1ccc(CNCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000135174687 280038748 /nfs/dbraw/zinc/03/87/48/280038748.db2.gz ZWVMZFXJPWNMJC-UHFFFAOYSA-N 0 3 271.276 2.392 20 30 CEEDHN CC[C@H]1CN(CCC(C)(C)C#N)C[C@@]2(CCOC2)O1 ZINC000347210759 288286879 /nfs/dbraw/zinc/28/68/79/288286879.db2.gz QEVNMSNRAXQVKG-DZGCQCFKSA-N 0 3 266.385 2.196 20 30 CEEDHN C[C@H](C(=O)N[C@@]1(C#N)CC1(C)C)N1CCCCCC1 ZINC000335183848 289368285 /nfs/dbraw/zinc/36/82/85/289368285.db2.gz QQQUPPSLTNMKCB-IUODEOHRSA-N 0 3 263.385 2.059 20 30 CEEDHN COC[C@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)C(C)C ZINC000543453554 298309400 /nfs/dbraw/zinc/30/94/00/298309400.db2.gz OMZIWZZOPSPJLS-WFASDCNBSA-N 0 3 289.379 2.146 20 30 CEEDHN N#Cc1c(NCCN2CCCC2)cccc1-n1cccn1 ZINC000566479008 298992937 /nfs/dbraw/zinc/99/29/37/298992937.db2.gz PMBJDYMXXBKTMM-UHFFFAOYSA-N 0 3 281.363 2.252 20 30 CEEDHN C[C@@H](NCC1([S@@](C)=O)CC1)c1ccc(OCC#N)cc1 ZINC000282518534 327683663 /nfs/dbraw/zinc/68/36/63/327683663.db2.gz ZLWMEWFORQKYDO-MPBGBICISA-N 0 3 292.404 2.151 20 30 CEEDHN CC(C)(C)OC(=O)CCNCc1cc(C#N)cs1 ZINC000177705301 312723641 /nfs/dbraw/zinc/72/36/41/312723641.db2.gz XYGNRCADTSLZDF-UHFFFAOYSA-N 0 3 266.366 2.441 20 30 CEEDHN CSc1ccc(OC[C@@H](O)CNCCCC#N)cc1 ZINC000563013125 327756525 /nfs/dbraw/zinc/75/65/25/327756525.db2.gz FYAZLGNTQMVCRJ-LBPRGKRZSA-N 0 3 280.393 2.042 20 30 CEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Cc2cccc(C#N)c2)C1 ZINC000533194605 313364306 /nfs/dbraw/zinc/36/43/06/313364306.db2.gz XGAQUYFLKCJTFG-SJORKVTESA-N 0 3 297.402 2.043 20 30 CEEDHN CN1CCC2(CCCN2C(=O)Nc2cccc(C#N)n2)CC1 ZINC000569218734 313988758 /nfs/dbraw/zinc/98/87/58/313988758.db2.gz HDVKEWKEHFBBTA-UHFFFAOYSA-N 0 3 299.378 2.045 20 30 CEEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000575123910 314207176 /nfs/dbraw/zinc/20/71/76/314207176.db2.gz AQLWZULFRHMSCT-FRRDWIJNSA-N 0 3 283.379 2.467 20 30 CEEDHN N#Cc1c2c(cnc1NCCN1CCCCCC1)CCC2 ZINC000578317278 314467602 /nfs/dbraw/zinc/46/76/02/314467602.db2.gz QBKXQYUMNXUCBP-UHFFFAOYSA-N 0 3 284.407 2.152 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N1CC[C@@H](N2CCCCC2)C1)OCC ZINC000339360195 328007819 /nfs/dbraw/zinc/00/78/19/328007819.db2.gz DWPKVZJHZKTSLD-HZPDHXFCSA-N 0 3 294.439 2.445 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000531614168 328019327 /nfs/dbraw/zinc/01/93/27/328019327.db2.gz MIOANPRDNSDAMI-NWDGAFQWSA-N 0 3 281.318 2.357 20 30 CEEDHN CN(Cc1ccccc1)[C@H](CNCCC#N)C1CC1 ZINC000571159369 328089288 /nfs/dbraw/zinc/08/92/88/328089288.db2.gz IRKBAEWZRHCHFN-MRXNPFEDSA-N 0 3 257.381 2.400 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(CC)C2CC2)CC1 ZINC000171607279 329077997 /nfs/dbraw/zinc/07/79/97/329077997.db2.gz HWGRFNJWQGOTLF-UHFFFAOYSA-N 0 3 265.401 2.221 20 30 CEEDHN N#CCC1CCN(C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000571537993 328133132 /nfs/dbraw/zinc/13/31/32/328133132.db2.gz NXRVUMCWFFNXPU-HNNXBMFYSA-N 0 3 286.379 2.022 20 30 CEEDHN CCn1ccnc1[C@H]1OCC[C@@H]1N[C@@H]1CCC[C@H](C#N)C1 ZINC000278415395 328225678 /nfs/dbraw/zinc/22/56/78/328225678.db2.gz QRKNLRUOKKHZFU-XGUBFFRZSA-N 0 3 288.395 2.405 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1nccn1C)C1CC1 ZINC000280948301 328237303 /nfs/dbraw/zinc/23/73/03/328237303.db2.gz XCKOUMDHQCCFIN-KKUMJFAQSA-N 0 3 275.396 2.442 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000321058047 329246051 /nfs/dbraw/zinc/24/60/51/329246051.db2.gz XOXBBFRQXCJXRD-LBPRGKRZSA-N 0 3 250.298 2.012 20 30 CEEDHN C=CCOc1ccc(CN2CCN(CC)CC2)cc1 ZINC000112129067 328386484 /nfs/dbraw/zinc/38/64/84/328386484.db2.gz TVARGUYLEIEWDW-UHFFFAOYSA-N 0 3 260.381 2.389 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000341258859 328405199 /nfs/dbraw/zinc/40/51/99/328405199.db2.gz LHXMOMQOHPIIRJ-QWHCGFSZSA-N 0 3 291.391 2.293 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N1CCCC[C@H]1CN(C)C)OCC ZINC000533706412 326913200 /nfs/dbraw/zinc/91/32/00/326913200.db2.gz TYOVTTBNPPXQQJ-LSDHHAIUSA-N 0 3 282.428 2.300 20 30 CEEDHN C=CCCCNCCS(=O)(=O)c1ccc(F)cc1 ZINC000569333071 326992278 /nfs/dbraw/zinc/99/22/78/326992278.db2.gz PTWFBUJZLAZFDB-UHFFFAOYSA-N 0 3 271.357 2.155 20 30 CEEDHN CC[C@H]1CN(C)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000557919398 327035144 /nfs/dbraw/zinc/03/51/44/327035144.db2.gz FENJEMJJKYNCPG-SJORKVTESA-N 0 3 299.418 2.312 20 30 CEEDHN Cn1ncc2ccc(CN[C@H]3CC[C@@H](C#N)C3)cc21 ZINC000565864670 327037732 /nfs/dbraw/zinc/03/77/32/327037732.db2.gz TUOXLUVDZODOAQ-RISCZKNCSA-N 0 3 254.337 2.355 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNc1cccc(C#N)n1 ZINC000584152633 327050995 /nfs/dbraw/zinc/05/09/95/327050995.db2.gz RRFWVQGUFODOLC-CYBMUJFWSA-N 0 3 258.369 2.486 20 30 CEEDHN CCN(CCNC(=O)Nc1ccc(CC#N)cc1)C1CC1 ZINC000102068240 327225492 /nfs/dbraw/zinc/22/54/92/327225492.db2.gz URHMHRRLIKSAHE-UHFFFAOYSA-N 0 3 286.379 2.358 20 30 CEEDHN CN(CCC#N)C(=O)CCN(Cc1cccs1)C1CC1 ZINC000049024116 327281281 /nfs/dbraw/zinc/28/12/81/327281281.db2.gz XMFDXHRFZCZSFQ-UHFFFAOYSA-N 0 3 291.420 2.475 20 30 CEEDHN CCS[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000560410594 327305217 /nfs/dbraw/zinc/30/52/17/327305217.db2.gz ZHQPCOUDYSXNSQ-YNEHKIRRSA-N 0 3 295.452 2.201 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1coc2ccccc21 ZINC000294110347 327390049 /nfs/dbraw/zinc/39/00/49/327390049.db2.gz ZBAXGGHPZKEFAH-UHFFFAOYSA-N 0 3 270.332 2.118 20 30 CEEDHN C=CCN1CC[C@@H](N[C@H](C)c2ccc3n[nH]cc3c2)C1=O ZINC000507245572 332800128 /nfs/dbraw/zinc/80/01/28/332800128.db2.gz BRTVLRSEWSSAAC-IAQYHMDHSA-N 0 3 284.363 2.000 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000375127385 329001264 /nfs/dbraw/zinc/00/12/64/329001264.db2.gz RPPHJAVMIWFLHG-MJBXVCDLSA-N 0 3 250.386 2.141 20 30 CEEDHN Cc1nc(CO[C@@H]2CCN(CCCC#N)C2)cs1 ZINC000375391118 329003213 /nfs/dbraw/zinc/00/32/13/329003213.db2.gz INDXAEBLDXVGOF-CYBMUJFWSA-N 0 3 265.382 2.346 20 30 CEEDHN C#CCN1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000377511053 329017397 /nfs/dbraw/zinc/01/73/97/329017397.db2.gz IIDHWOXNZFPMNN-UONOGXRCSA-N 0 3 278.396 2.484 20 30 CEEDHN CC(C)(C)N1CC[C@](F)(C(=O)N(CCC#N)CC2CC2)C1 ZINC000378023422 329037286 /nfs/dbraw/zinc/03/72/86/329037286.db2.gz FMOFOMBQSDDQIR-MRXNPFEDSA-N 0 3 295.402 2.351 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@](C)(c2ccccc2)C1 ZINC000378126462 329040727 /nfs/dbraw/zinc/04/07/27/329040727.db2.gz MJPHYZOCJIQCPR-QAPCUYQASA-N 0 3 299.418 2.411 20 30 CEEDHN C#CCCN1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000378322453 329046015 /nfs/dbraw/zinc/04/60/15/329046015.db2.gz FORITOJWOWBCHM-UHFFFAOYSA-N 0 3 284.403 2.177 20 30 CEEDHN N#CCCCN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000178046195 329191951 /nfs/dbraw/zinc/19/19/51/329191951.db2.gz MDLZTEVRPQPDDW-HNNXBMFYSA-N 0 3 285.391 2.432 20 30 CEEDHN C=C(C)CN(C)CCOc1cccc(C(=O)OC)c1 ZINC000181265912 329228633 /nfs/dbraw/zinc/22/86/33/329228633.db2.gz WRYAJXFZBKQMTH-UHFFFAOYSA-N 0 3 263.337 2.360 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCO[C@@H](CCC)C2)CC1 ZINC000183676747 329249486 /nfs/dbraw/zinc/24/94/86/329249486.db2.gz ZNPPEQMTDREPAU-ZBFHGGJFSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(Oc2cnccn2)cc1 ZINC000184272597 329258418 /nfs/dbraw/zinc/25/84/18/329258418.db2.gz LJEKGPOJALXQSI-CQSZACIVSA-N 0 3 285.347 2.296 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CCC1 ZINC000189185888 329376736 /nfs/dbraw/zinc/37/67/36/329376736.db2.gz FRIDXAYOWKVZFY-QWHCGFSZSA-N 0 3 262.397 2.474 20 30 CEEDHN C=CCN1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000120642523 329551208 /nfs/dbraw/zinc/55/12/08/329551208.db2.gz FVEAUTYGXNUPSH-UHFFFAOYSA-N 0 3 259.353 2.227 20 30 CEEDHN C=C[C@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000128256112 329606558 /nfs/dbraw/zinc/60/65/58/329606558.db2.gz TTZWXMQOPZWWTK-ZFWWWQNUSA-N 0 3 275.396 2.471 20 30 CEEDHN C=CCC1(C(=O)N(C)CC2(N(C)C)CCC2)CCOCC1 ZINC000424808097 329616885 /nfs/dbraw/zinc/61/68/85/329616885.db2.gz TVGGMPBHHFYQOF-UHFFFAOYSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCC[C@H](O)CNC1(C(=O)NCCC)CCCCC1 ZINC000133096990 329650494 /nfs/dbraw/zinc/65/04/94/329650494.db2.gz MKVQGPQUFZBVAM-AWEZNQCLSA-N 0 3 282.428 2.132 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000248826305 329900015 /nfs/dbraw/zinc/90/00/15/329900015.db2.gz GIDZEGVJNIRNPV-ILXRZTDVSA-N 0 3 283.375 2.464 20 30 CEEDHN C=CCOc1ccc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc1 ZINC000262837864 330034901 /nfs/dbraw/zinc/03/49/01/330034901.db2.gz WODSBTOWTYUJDX-QWHCGFSZSA-N 0 3 274.364 2.074 20 30 CEEDHN C=CCOc1ccccc1CN[C@H](C)C[C@@H]1COCCN1 ZINC000422909389 330159642 /nfs/dbraw/zinc/15/96/42/330159642.db2.gz NXZBQQDBURHMET-GDBMZVCRSA-N 0 3 290.407 2.108 20 30 CEEDHN N#CCc1ccc(CN(CCO)[C@@H]2CCCSC2)cc1 ZINC000433200112 330209655 /nfs/dbraw/zinc/20/96/55/330209655.db2.gz GFDQCUBDFPQOOI-MRXNPFEDSA-N 0 3 290.432 2.443 20 30 CEEDHN C=CCOc1cccc(CNC[C@@H]2CCCC(=O)N2)c1 ZINC000433200530 330212468 /nfs/dbraw/zinc/21/24/68/330212468.db2.gz IHTNTULTIMLKIU-AWEZNQCLSA-N 0 3 274.364 2.010 20 30 CEEDHN Cc1ccsc1CN(C)C(=O)[C@H](N)CCCC#N ZINC000424058884 330218684 /nfs/dbraw/zinc/21/86/84/330218684.db2.gz ARNMDBMIVNMVLD-LLVKDONJSA-N 0 3 265.382 2.036 20 30 CEEDHN Cc1ccc(SCCNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424064966 330219054 /nfs/dbraw/zinc/21/90/54/330219054.db2.gz KWLANVGCWVJNKF-AWEZNQCLSA-N 0 3 291.420 2.225 20 30 CEEDHN CN(C(=O)[C@@H](N)CCCC#N)[C@H]1CCc2ccccc21 ZINC000424070728 330219884 /nfs/dbraw/zinc/21/98/84/330219884.db2.gz STFASWWKVXSLHV-GJZGRUSLSA-N 0 3 271.364 2.153 20 30 CEEDHN CC[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(OC)cc1 ZINC000424070414 330219916 /nfs/dbraw/zinc/21/99/16/330219916.db2.gz XPOBZOSQLZCKBW-GJZGRUSLSA-N 0 3 289.379 2.284 20 30 CEEDHN CC[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(OC)cc1 ZINC000424070413 330219943 /nfs/dbraw/zinc/21/99/43/330219943.db2.gz XPOBZOSQLZCKBW-CABCVRRESA-N 0 3 289.379 2.284 20 30 CEEDHN CCc1ccc(CN(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000424075552 330220826 /nfs/dbraw/zinc/22/08/26/330220826.db2.gz JPKJMXMTNZKJNR-OAHLLOKOSA-N 0 3 273.380 2.229 20 30 CEEDHN Cc1cc2cc(NC(=O)[C@H](N)CCCC#N)ccc2[nH]1 ZINC000424076955 330221019 /nfs/dbraw/zinc/22/10/19/330221019.db2.gz AHSJHVZIXWQPQN-CYBMUJFWSA-N 0 3 270.336 2.436 20 30 CEEDHN CC(C)(CNC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424092100 330225336 /nfs/dbraw/zinc/22/53/36/330225336.db2.gz PMECHUHUQOKNTK-CQSZACIVSA-N 0 3 273.380 2.102 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000424091140 330225361 /nfs/dbraw/zinc/22/53/61/330225361.db2.gz NKLYNMKRAAYIDC-CVEARBPZSA-N 0 3 285.391 2.099 20 30 CEEDHN CN(CCCCc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000424092543 330226007 /nfs/dbraw/zinc/22/60/07/330226007.db2.gz HQNUOOVTLHEBDV-MRXNPFEDSA-N 0 3 287.407 2.489 20 30 CEEDHN CCN(CCc1cccs1)C(=O)[C@@H](N)CCCC#N ZINC000424093270 330226368 /nfs/dbraw/zinc/22/63/68/330226368.db2.gz IZKWAHOGCAJRAT-ZDUSSCGKSA-N 0 3 279.409 2.160 20 30 CEEDHN C[C@@H]1CCC[C@H](N(C)C(=O)[C@H](N)CCCC#N)C1 ZINC000424102483 330233625 /nfs/dbraw/zinc/23/36/25/330233625.db2.gz QTFPPSNZCKYJAP-FRRDWIJNSA-N 0 3 251.374 2.045 20 30 CEEDHN Cc1ccccc1C1(CNC(=O)[C@H](N)CCCC#N)CC1 ZINC000424112424 330240658 /nfs/dbraw/zinc/24/06/58/330240658.db2.gz JQIPDXCUSGZQEC-OAHLLOKOSA-N 0 3 285.391 2.164 20 30 CEEDHN COc1ccccc1C(C)(C)NC(=O)[C@H](N)CCCC#N ZINC000424113274 330241881 /nfs/dbraw/zinc/24/18/81/330241881.db2.gz MXICAIXCPPHRBJ-CYBMUJFWSA-N 0 3 289.379 2.068 20 30 CEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)C(C)(C)c1ccccc1 ZINC000424115512 330243437 /nfs/dbraw/zinc/24/34/37/330243437.db2.gz VKPHTLOVAGVPAA-DZGCQCFKSA-N 0 3 287.407 2.490 20 30 CEEDHN CN(C(=O)[C@H](N)CCCC#N)C1CCC(C)(C)CC1 ZINC000424115680 330243471 /nfs/dbraw/zinc/24/34/71/330243471.db2.gz AWJLCGMBKBWWOG-CYBMUJFWSA-N 0 3 265.401 2.435 20 30 CEEDHN CCS[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000424117644 330243751 /nfs/dbraw/zinc/24/37/51/330243751.db2.gz BPEDBBDONLKGDG-JHJVBQTASA-N 0 3 283.441 2.188 20 30 CEEDHN CC(C)(C)CCCCNC(=O)[C@H](N)CCCC#N ZINC000424120410 330248526 /nfs/dbraw/zinc/24/85/26/330248526.db2.gz DUZNPXSOMKQHMV-GFCCVEGCSA-N 0 3 253.390 2.340 20 30 CEEDHN CCOCCC1(CNC(=O)[C@H](N)CCCC#N)CCCC1 ZINC000424121008 330251097 /nfs/dbraw/zinc/25/10/97/330251097.db2.gz HDLBLRBEPUDHEV-CQSZACIVSA-N 0 3 295.427 2.111 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCc2c(Cl)cccc2C1 ZINC000424134138 330266627 /nfs/dbraw/zinc/26/66/27/330266627.db2.gz HMDQNODKGKWHLY-CQSZACIVSA-N 0 3 291.782 2.246 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCC2CC=CC2)CC1 ZINC000527730566 330277869 /nfs/dbraw/zinc/27/78/69/330277869.db2.gz QFOCJMRCOUQYTA-UHFFFAOYSA-N 0 3 277.412 2.292 20 30 CEEDHN C[C@H](CNC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1F ZINC000424142594 330284926 /nfs/dbraw/zinc/28/49/26/330284926.db2.gz PWLMYLLAEIOLFB-YGRLFVJLSA-N 0 3 295.333 2.206 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1nccn1CC(F)(F)F ZINC000424171307 330311070 /nfs/dbraw/zinc/31/10/70/330311070.db2.gz KLBCGTPKQQGQAG-QWRGUYRKSA-N 0 3 289.301 2.126 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1cn2ccccc2n1 ZINC000424169835 330312147 /nfs/dbraw/zinc/31/21/47/330312147.db2.gz IFZKLDXDXGJHFN-JSGCOSHPSA-N 0 3 257.337 2.015 20 30 CEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(F)c1F ZINC000424172995 330313392 /nfs/dbraw/zinc/31/33/92/330313392.db2.gz MLJJRPLKSZKBSA-SKDRFNHKSA-N 0 3 281.306 2.163 20 30 CEEDHN Cc1c(NC(=O)[C@H](N)CCCC#N)cnn1-c1ccccc1 ZINC000424173194 330313722 /nfs/dbraw/zinc/31/37/22/330313722.db2.gz NVALHHYJVPVMOB-CQSZACIVSA-N 0 3 297.362 2.140 20 30 CEEDHN Cc1ccc(C)c(CN(C)C(=O)[C@H](N)CCCC#N)c1 ZINC000424177898 330317808 /nfs/dbraw/zinc/31/78/08/330317808.db2.gz VHPSITLSEOANBO-OAHLLOKOSA-N 0 3 273.380 2.283 20 30 CEEDHN C[C@@H]1CC[C@@]2(CCN(C(=O)[C@@H](N)CCCC#N)C2)C1 ZINC000424182842 330319926 /nfs/dbraw/zinc/31/99/26/330319926.db2.gz AKZSMQOFMQNXRL-VNHYZAJKSA-N 0 3 263.385 2.046 20 30 CEEDHN COc1cc(C)c(CN[C@@H]2CC[C@H](C#N)C2)c(C)n1 ZINC000424187660 330321184 /nfs/dbraw/zinc/32/11/84/330321184.db2.gz BAZBRVMHZUAZPC-QWHCGFSZSA-N 0 3 259.353 2.489 20 30 CEEDHN CC(C)N(CC1CCC1)C(=O)[C@@H](N)CCCC#N ZINC000424193068 330324167 /nfs/dbraw/zinc/32/41/67/330324167.db2.gz UWZMZXFDKARANV-ZDUSSCGKSA-N 0 3 251.374 2.045 20 30 CEEDHN Cn1cc(CN[C@@H]2CC[C@H](C#N)C2)c(-c2ccncc2)n1 ZINC000424202187 330326990 /nfs/dbraw/zinc/32/69/90/330326990.db2.gz SLALZCOZAFKEQW-SWLSCSKDSA-N 0 3 281.363 2.264 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000424212492 330328679 /nfs/dbraw/zinc/32/86/79/330328679.db2.gz PJZZSTAGYCUPPI-TUUVXOQKSA-N 0 3 288.391 2.030 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](CO)CC(F)F)cc1 ZINC000428648966 330528807 /nfs/dbraw/zinc/52/88/07/330528807.db2.gz KNGLQYJONFVYFR-GFCCVEGCSA-N 0 3 271.307 2.357 20 30 CEEDHN CN(C)CCN(C)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000440246754 330746773 /nfs/dbraw/zinc/74/67/73/330746773.db2.gz TYAORUNZBVSPEK-HNNXBMFYSA-N 0 3 288.395 2.234 20 30 CEEDHN CCS(=O)(=O)c1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442881129 330790264 /nfs/dbraw/zinc/79/02/64/330790264.db2.gz YXZGJVBSHQNHPN-JSGCOSHPSA-N 0 3 292.404 2.262 20 30 CEEDHN C=C(C)CCNCc1ccccc1OCC(=O)N(C)C ZINC000449474399 330928698 /nfs/dbraw/zinc/92/86/98/330928698.db2.gz JQGIVCRXMZBKHK-UHFFFAOYSA-N 0 3 276.380 2.209 20 30 CEEDHN CO[C@@H](Cc1ccccc1)CN1CCC(C#N)CC1 ZINC000450321138 330972509 /nfs/dbraw/zinc/97/25/09/330972509.db2.gz YZOOAAAEVBGUTB-INIZCTEOSA-N 0 3 258.365 2.480 20 30 CEEDHN CN(CCN1CCC(F)(C#N)CC1)Cc1ccccc1 ZINC000450973454 331009395 /nfs/dbraw/zinc/00/93/95/331009395.db2.gz KCZDKGCHPHVEKH-UHFFFAOYSA-N 0 3 275.371 2.446 20 30 CEEDHN C=CCOCCCN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451283236 331023020 /nfs/dbraw/zinc/02/30/20/331023020.db2.gz NCLXWADZWQMLDI-SJORKVTESA-N 0 3 293.382 2.379 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000451500363 331031735 /nfs/dbraw/zinc/03/17/35/331031735.db2.gz OWQXFOOQMXVICS-CABCVRRESA-N 0 3 294.439 2.369 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCCOc1ccccc1F ZINC000451595217 331035458 /nfs/dbraw/zinc/03/54/58/331035458.db2.gz CTFMZYNKMKEKLQ-OLZOCXBDSA-N 0 3 251.301 2.138 20 30 CEEDHN C=CCNC(=O)CN(CCCC)[C@@H]1CCCC[C@H]1OC ZINC000451647555 331037798 /nfs/dbraw/zinc/03/77/98/331037798.db2.gz BGIGUIVQCMKENY-HUUCEWRRSA-N 0 3 282.428 2.348 20 30 CEEDHN C=CCCCCCN1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452003849 331049995 /nfs/dbraw/zinc/04/99/95/331049995.db2.gz ADFXZMJJFPAWCK-AWEZNQCLSA-N 0 3 267.417 2.468 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CCN(C2CC2)C[C@H](C)C1)OCC ZINC000452173580 331057198 /nfs/dbraw/zinc/05/71/98/331057198.db2.gz NJUOBXZTLIIVJL-HOCLYGCPSA-N 0 3 294.439 2.300 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1COc1ccccc1 ZINC000452555484 331068596 /nfs/dbraw/zinc/06/85/96/331068596.db2.gz YMYUTJUVIXBWNA-OLZOCXBDSA-N 0 3 258.321 2.216 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC(CF)CF ZINC000452739914 331074826 /nfs/dbraw/zinc/07/48/26/331074826.db2.gz DIFJUZKCJZRDTP-GFCCVEGCSA-N 0 3 266.291 2.183 20 30 CEEDHN C=C(C)COCCN[C@@H]1COc2ccc(OC)cc2C1 ZINC000453137940 331093181 /nfs/dbraw/zinc/09/31/81/331093181.db2.gz DGPHYXQKJPCUMJ-AWEZNQCLSA-N 0 3 277.364 2.181 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)Nc1ccnn1CCN(C)C ZINC000455656235 331174898 /nfs/dbraw/zinc/17/48/98/331174898.db2.gz KGKOJTSYTKGZLQ-CYBMUJFWSA-N 0 3 293.415 2.311 20 30 CEEDHN C=CCSCCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458096536 331242707 /nfs/dbraw/zinc/24/27/07/331242707.db2.gz RKQDQFPNEMSKCI-ZDUSSCGKSA-N 0 3 297.468 2.031 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](SC)C2)CC1 ZINC000458325299 331248755 /nfs/dbraw/zinc/24/87/55/331248755.db2.gz SGVRWTNCROSEDS-AWEZNQCLSA-N 0 3 297.468 2.174 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000458994736 331265252 /nfs/dbraw/zinc/26/52/52/331265252.db2.gz ZNTQKOSRCBGLBV-CYBMUJFWSA-N 0 3 267.417 2.182 20 30 CEEDHN C=C(C)CCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000459014372 331266541 /nfs/dbraw/zinc/26/65/41/331266541.db2.gz ZVZHNRVMUKNGLM-ZDUSSCGKSA-N 0 3 267.417 2.324 20 30 CEEDHN C=C(CC)CNC(=O)N(CCC)CCN1CCCC1 ZINC000459107255 331270547 /nfs/dbraw/zinc/27/05/47/331270547.db2.gz XSJVLJJBGWAENS-UHFFFAOYSA-N 0 3 267.417 2.470 20 30 CEEDHN C=C(C)CN(CCc1cncn1C)Cc1ccc(CO)o1 ZINC000459460664 331282608 /nfs/dbraw/zinc/28/26/08/331282608.db2.gz IVXJJOZLDZGTCC-UHFFFAOYSA-N 0 3 289.379 2.126 20 30 CEEDHN C=CCCCS(=O)(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000489293804 332045657 /nfs/dbraw/zinc/04/56/57/332045657.db2.gz OPEPPRBMTZYTAT-OKILXGFUSA-N 0 3 288.457 2.135 20 30 CEEDHN CC(C#N)C(=O)N(C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000489427158 332051400 /nfs/dbraw/zinc/05/14/00/332051400.db2.gz OKDLYWCKBLMJEA-RDBSUJKOSA-N 0 3 274.364 2.159 20 30 CEEDHN C#CCN(C(=O)CN(CC)CC)C1CCCCC1 ZINC000490589261 332093651 /nfs/dbraw/zinc/09/36/51/332093651.db2.gz APKNTOMLYJHETC-UHFFFAOYSA-N 0 3 250.386 2.123 20 30 CEEDHN C#CCN1CCC(C(=O)NC(C)(C)CCC)CC1 ZINC000490594475 332093965 /nfs/dbraw/zinc/09/39/65/332093965.db2.gz PIWVKVHTTNKLBR-UHFFFAOYSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CCN1CCC[C@H](C(=O)NCCCCCC)C1 ZINC000490604986 332095086 /nfs/dbraw/zinc/09/50/86/332095086.db2.gz OWQXVRXZHSORMK-AWEZNQCLSA-N 0 3 250.386 2.028 20 30 CEEDHN C#CCN(C(=O)N[C@H]1CCN(C)[C@@H](C)C1)C1CCCC1 ZINC000490802781 332116669 /nfs/dbraw/zinc/11/66/69/332116669.db2.gz FNTXBGHKDIALQA-KBPBESRZSA-N 0 3 277.412 2.057 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@H](c1ccccc1C)C1CC1 ZINC000490924219 332129921 /nfs/dbraw/zinc/12/99/21/332129921.db2.gz OGLOIDXYIUERDP-CJNGLKHVSA-N 0 3 270.376 2.174 20 30 CEEDHN C#CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000491096528 332149274 /nfs/dbraw/zinc/14/92/74/332149274.db2.gz UBMFGTDEOQDPKG-INIZCTEOSA-N 0 3 297.402 2.068 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C(/C)c1ccccc1 ZINC000491230399 332170352 /nfs/dbraw/zinc/17/03/52/332170352.db2.gz MUNPYTAYOCYLDP-PFONDFGASA-N 0 3 270.376 2.161 20 30 CEEDHN C#CCN(C)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000491232238 332171333 /nfs/dbraw/zinc/17/13/33/332171333.db2.gz ZPRXGODXFVGAEZ-INIZCTEOSA-N 0 3 287.407 2.344 20 30 CEEDHN C#C[C@H](NC(=O)[C@H](CC)N(CC)CC)C(C)(C)C ZINC000491241729 332172762 /nfs/dbraw/zinc/17/27/62/332172762.db2.gz LJFQZNRPNJATKT-STQMWFEESA-N 0 3 252.402 2.271 20 30 CEEDHN C#CCN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000491266950 332177673 /nfs/dbraw/zinc/17/76/73/332177673.db2.gz RHWIMCZXDZWRFJ-OKILXGFUSA-N 0 3 278.396 2.199 20 30 CEEDHN C#CCN(CC)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000491373240 332199441 /nfs/dbraw/zinc/19/94/41/332199441.db2.gz MGAYNOMDONSKOW-HNNXBMFYSA-N 0 3 279.428 2.162 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(C(F)(F)F)CCCC1 ZINC000491475190 332218613 /nfs/dbraw/zinc/21/86/13/332218613.db2.gz UPTMHEWLOCIUID-UHFFFAOYSA-N 0 3 290.329 2.180 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCC[C@H]1CC ZINC000491507550 332225511 /nfs/dbraw/zinc/22/55/11/332225511.db2.gz VVXAYWADSMSPGA-HUUCEWRRSA-N 0 3 264.413 2.274 20 30 CEEDHN C#C[C@H](NC(=O)N1CCC[C@H]1CN1CCCCC1)C(C)C ZINC000491536504 332231796 /nfs/dbraw/zinc/23/17/96/332231796.db2.gz KAXBAYMEYMMWTK-HOTGVXAUSA-N 0 3 291.439 2.304 20 30 CEEDHN C#C[C@H](NC(=O)CN(CC)CC)c1ccc(Cl)cc1 ZINC000491634073 332255634 /nfs/dbraw/zinc/25/56/34/332255634.db2.gz QJMZJCQIJIEJHI-AWEZNQCLSA-N 0 3 278.783 2.472 20 30 CEEDHN C#CC(C)(C)N(C)CCC(=O)N(C)c1ccccc1 ZINC000491658825 332269712 /nfs/dbraw/zinc/26/97/12/332269712.db2.gz HYIWIGRLTLSVDM-UHFFFAOYSA-N 0 3 258.365 2.383 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@H]2CC3CCC2CC3)CC1 ZINC000491670889 332278068 /nfs/dbraw/zinc/27/80/68/332278068.db2.gz PQFSKCVEIXUYMY-VMBOVVBDSA-N 0 3 288.435 2.274 20 30 CEEDHN C#CCN1CCC(C(=O)NC2CCC(C(F)F)CC2)CC1 ZINC000491734203 332315041 /nfs/dbraw/zinc/31/50/41/332315041.db2.gz DTHCOXRXVATSTG-UHFFFAOYSA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCN(CCn1cc(Cl)cn1)C1CCCC1 ZINC000491748571 332325641 /nfs/dbraw/zinc/32/56/41/332325641.db2.gz XXOACKWYCCBTGC-UHFFFAOYSA-N 0 3 251.761 2.414 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H]1c1ccccc1 ZINC000491774342 332340523 /nfs/dbraw/zinc/34/05/23/332340523.db2.gz UDQZXLFBSMDPDR-MRXNPFEDSA-N 0 3 285.391 2.098 20 30 CEEDHN C#C[C@@H](NCCC(=O)Nc1ccc(N(C)C)cc1)C(C)C ZINC000491778889 332343907 /nfs/dbraw/zinc/34/39/07/332343907.db2.gz YVVZWPPZVOUWRW-MRXNPFEDSA-N 0 3 287.407 2.329 20 30 CEEDHN C#CCN1CCC(C(=O)NCC2CCCCCC2)CC1 ZINC000491789858 332351837 /nfs/dbraw/zinc/35/18/37/332351837.db2.gz ZRDHWCBUEXYNSV-UHFFFAOYSA-N 0 3 276.424 2.418 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000575757402 335112763 /nfs/dbraw/zinc/11/27/63/335112763.db2.gz ZCELIXYXEGEGBG-CQSZACIVSA-N 0 3 296.374 2.074 20 30 CEEDHN CCN(CCC#N)C(=O)CN(C)[C@@H]1CCCC[C@H]1C ZINC000249736481 334339684 /nfs/dbraw/zinc/33/96/84/334339684.db2.gz WECNDBYACDMMJK-ZIAGYGMSSA-N 0 3 265.401 2.259 20 30 CEEDHN CC(C)(C)OC(=O)[C@H]1CCN(CCCSCC#N)C1 ZINC000178513634 333074355 /nfs/dbraw/zinc/07/43/55/333074355.db2.gz XMJNIBBNXILLCM-LBPRGKRZSA-N 0 3 284.425 2.297 20 30 CEEDHN C#C[C@H](NC[C@H](O)COCc1ccccc1Cl)C(C)C ZINC000312156529 333077617 /nfs/dbraw/zinc/07/76/17/333077617.db2.gz HRCTXKLWHLLWPF-HOCLYGCPSA-N 0 3 295.810 2.465 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](CC)c1ccc(C)cc1 ZINC000192586462 333236667 /nfs/dbraw/zinc/23/66/67/333236667.db2.gz OCQPTXWGNIPHJL-HIFRSBDPSA-N 0 3 258.365 2.174 20 30 CEEDHN C[C@@H](CN1CCCC1=O)NC1CC(C#N)(c2ccccc2)C1 ZINC000315624955 333382648 /nfs/dbraw/zinc/38/26/48/333382648.db2.gz JZBPDFJDQKETHA-NXVRBGIVSA-N 0 3 297.402 2.211 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cocc2C)CC1 ZINC000528449736 333438767 /nfs/dbraw/zinc/43/87/67/333438767.db2.gz PVJDALNIRKEZFO-UHFFFAOYSA-N 0 3 262.353 2.358 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CC)SC)CC1 ZINC000129953138 333801229 /nfs/dbraw/zinc/80/12/29/333801229.db2.gz KIFIXXFYIAOGLL-CYBMUJFWSA-N 0 3 270.442 2.285 20 30 CEEDHN C=CCN1CCC(Nc2cncc(OC(C)C)n2)CC1 ZINC000548116320 334140749 /nfs/dbraw/zinc/14/07/49/334140749.db2.gz DSZLUPJZNPUOEW-UHFFFAOYSA-N 0 3 276.384 2.326 20 30 CEEDHN N#CC1CCC(CN[C@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000550934003 334234324 /nfs/dbraw/zinc/23/43/24/334234324.db2.gz QNCMMGYKPSWFDI-PIMMBPRGSA-N 0 3 296.378 2.209 20 30 CEEDHN C[C@H]1CCN(CC#Cc2ccc(Cl)cc2)[C@H]1CO ZINC000248973500 334323499 /nfs/dbraw/zinc/32/34/99/334323499.db2.gz TWXZWPORNZSOEK-WFASDCNBSA-N 0 3 263.768 2.394 20 30 CEEDHN N#CC1(C(=O)Nc2ccc3c(c2)CNCC3)CCCC1 ZINC000568776608 334840583 /nfs/dbraw/zinc/84/05/83/334840583.db2.gz UQSCXJMZJGSSBM-UHFFFAOYSA-N 0 3 269.348 2.355 20 30 CEEDHN N#CCc1ccc(CN2CCN(C3CCC3)CC2)cc1 ZINC000343549700 335209325 /nfs/dbraw/zinc/20/93/25/335209325.db2.gz KSVQHPYNJUSOEM-UHFFFAOYSA-N 0 3 269.392 2.423 20 30 CEEDHN COc1ccc(NC(=O)[C@H](N)CCCC#N)c2cccnc12 ZINC000577875161 335415724 /nfs/dbraw/zinc/41/57/24/335415724.db2.gz QMGLTBLJZHJWOO-GFCCVEGCSA-N 0 3 298.346 2.203 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](CC)[C@@H]1CCCO1 ZINC000182362305 335813433 /nfs/dbraw/zinc/81/34/33/335813433.db2.gz DJRRWFHNLJJGIN-KKUMJFAQSA-N 0 3 280.412 2.123 20 30 CEEDHN CCC(CC)Nc1ccncc1NC(=O)CSCC#N ZINC000581694276 336128910 /nfs/dbraw/zinc/12/89/10/336128910.db2.gz KTRVZLWOIDIKLO-UHFFFAOYSA-N 0 3 292.408 2.299 20 30 CEEDHN COC(=O)c1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000348903910 534265430 /nfs/dbraw/zinc/26/54/30/534265430.db2.gz IQGSFRPXOBIUOP-BXUZGUMPSA-N 0 3 258.321 2.255 20 30 CEEDHN C=CCC[C@H](O)CN[C@H](CO)c1sccc1C ZINC000494657008 517327559 /nfs/dbraw/zinc/32/75/59/517327559.db2.gz RIELQZXWTDTHKM-NWDGAFQWSA-N 0 3 255.383 2.007 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000347037874 534283591 /nfs/dbraw/zinc/28/35/91/534283591.db2.gz ONSGYPUKQUXIDU-HONMWMINSA-N 0 3 276.311 2.322 20 30 CEEDHN N#Cc1cccc(C2(NCCC3(O)CCC3)CC2)c1 ZINC000411469423 534802708 /nfs/dbraw/zinc/80/27/08/534802708.db2.gz LUOUFXQNQNTEGB-UHFFFAOYSA-N 0 3 256.349 2.442 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)C(F)(F)F)CC1 ZINC000344394538 526437165 /nfs/dbraw/zinc/43/71/65/526437165.db2.gz GWJGGGGZYSXTOX-NSHDSACASA-N 0 3 293.333 2.277 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2csc(=O)[nH]2)CC1 ZINC000329989429 526576467 /nfs/dbraw/zinc/57/64/67/526576467.db2.gz VGRAMDZIBWMDBV-UHFFFAOYSA-N 0 3 281.381 2.194 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2nc(CC)oc2C)CC1 ZINC000352268649 526602989 /nfs/dbraw/zinc/60/29/89/526602989.db2.gz AEPSYLVIIZCXRY-UHFFFAOYSA-N 0 3 291.395 2.316 20 30 CEEDHN C=CCOCCCC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344737767 526738532 /nfs/dbraw/zinc/73/85/32/526738532.db2.gz YPGTWPBDJFAJMR-AWEZNQCLSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCOCCCC(=O)NCCN1CCCC(C)(C)C1 ZINC000347416461 526738937 /nfs/dbraw/zinc/73/89/37/526738937.db2.gz CDWQZPKPGBGZQQ-UHFFFAOYSA-N 0 3 282.428 2.207 20 30 CEEDHN C=C(CNC(=O)N[C@H]1CCCN(C)[C@H]1C)c1ccccc1 ZINC000355074339 526875336 /nfs/dbraw/zinc/87/53/36/526875336.db2.gz CELXAHQURFLPQD-HOCLYGCPSA-N 0 3 287.407 2.482 20 30 CEEDHN C=CCOc1ccccc1CN1CCC[C@H](OCCO)C1 ZINC000353519375 526931200 /nfs/dbraw/zinc/93/12/00/526931200.db2.gz NCKOLIOHRJDIQF-INIZCTEOSA-N 0 3 291.391 2.225 20 30 CEEDHN C=CCOc1ccccc1CN[C@H]1CN(C)C[C@H]1C ZINC000344370817 526952264 /nfs/dbraw/zinc/95/22/64/526952264.db2.gz NONNSPPEDNKIAI-HIFRSBDPSA-N 0 3 260.381 2.291 20 30 CEEDHN C=CC1CCN(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)CC1 ZINC000344241166 526968350 /nfs/dbraw/zinc/96/83/50/526968350.db2.gz WBZSZNWKANQKDJ-TZMCWYRMSA-N 0 3 265.401 2.077 20 30 CEEDHN C=CCC(C)(C)CNC(=O)CC1CCN(C)CC1 ZINC000352544492 527000804 /nfs/dbraw/zinc/00/08/04/527000804.db2.gz BEIAHJFFDHXAER-UHFFFAOYSA-N 0 3 252.402 2.437 20 30 CEEDHN C=CCC1(C(=O)NCCCN2CCCO[C@@H](C)C2)CCC1 ZINC000347187980 527051275 /nfs/dbraw/zinc/05/12/75/527051275.db2.gz FXKYXKDOZHSIFT-HNNXBMFYSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CCn1c(C(C)C)nnc1N1CCCN(CC)CC1 ZINC000350753039 527291747 /nfs/dbraw/zinc/29/17/47/527291747.db2.gz VRAPIPNONWQVBL-UHFFFAOYSA-N 0 3 277.416 2.120 20 30 CEEDHN C=C[C@@H](CO)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000353574587 527443704 /nfs/dbraw/zinc/44/37/04/527443704.db2.gz XKDFTGNXOGQFDH-HOCLYGCPSA-N 0 3 256.349 2.462 20 30 CEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1nc(C#N)cs1 ZINC000356108037 527899337 /nfs/dbraw/zinc/89/93/37/527899337.db2.gz IINQSYITDZLVRG-OLZOCXBDSA-N 0 3 276.409 2.073 20 30 CEEDHN CC(C)c1ccccc1OCCNC(=O)C(C)C#N ZINC000347104325 528204502 /nfs/dbraw/zinc/20/45/02/528204502.db2.gz JQKRHCONXOTKQE-GFCCVEGCSA-N 0 3 260.337 2.465 20 30 CEEDHN CC[C@@H]1CCCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000347034978 529298729 /nfs/dbraw/zinc/29/87/29/529298729.db2.gz PNOSQDDQKDCFCB-CYBMUJFWSA-N 0 3 263.385 2.061 20 30 CEEDHN C=CC1CCN(C(=S)NC[C@@H]2CCCN2CC)CC1 ZINC000731943410 574606722 /nfs/dbraw/zinc/60/67/22/574606722.db2.gz YCKNZYPBYVQKTI-AWEZNQCLSA-N 0 3 281.469 2.243 20 30 CEEDHN C=CCN(C(=O)NCCN(C)CCCC)C(C)C ZINC000732889063 574634554 /nfs/dbraw/zinc/63/45/54/574634554.db2.gz IPLOAIBJIRCSEB-UHFFFAOYSA-N 0 3 255.406 2.324 20 30 CEEDHN N#CC(C(=O)NC1CCCCC1)C(=O)C1CCSCC1 ZINC000733053580 574640512 /nfs/dbraw/zinc/64/05/12/574640512.db2.gz OFTONYWKLDSTPS-CYBMUJFWSA-N 0 3 294.420 2.287 20 30 CEEDHN N#CCOc1ccc(CN2CCC[C@@H](CCO)C2)cc1 ZINC000733613432 574683116 /nfs/dbraw/zinc/68/31/16/574683116.db2.gz VJTDDPRWRIKLPS-AWEZNQCLSA-N 0 3 274.364 2.183 20 30 CEEDHN Cc1ccccc1C[C@H]1CCCN1CC(=O)NCCC#N ZINC000734150235 574701411 /nfs/dbraw/zinc/70/14/11/574701411.db2.gz SXKBROUHRCFTMU-MRXNPFEDSA-N 0 3 285.391 2.032 20 30 CEEDHN C=CC[C@H](NC(=O)NC[C@H]1CCCN1C)c1ccncc1 ZINC000734663138 574724345 /nfs/dbraw/zinc/72/43/45/574724345.db2.gz HNBVXYFDWUNNBQ-CABCVRRESA-N 0 3 288.395 2.092 20 30 CEEDHN CCCCCCN(C)CC(=O)N[C@](C)(C#N)CC ZINC000735653474 574763960 /nfs/dbraw/zinc/76/39/60/574763960.db2.gz OXWIAZAZDVZPMV-AWEZNQCLSA-N 0 3 253.390 2.307 20 30 CEEDHN C#Cc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)cn1 ZINC000737958966 574848648 /nfs/dbraw/zinc/84/86/48/574848648.db2.gz IPQHMIMHRHDEQW-UHFFFAOYSA-N 0 3 297.402 2.153 20 30 CEEDHN COCCON=C1CCCC[C@H]1N1CCCCC1 ZINC000748790815 575195940 /nfs/dbraw/zinc/19/59/40/575195940.db2.gz ADJMJPZVAWZIHL-CQSZACIVSA-N 0 3 254.374 2.434 20 30 CEEDHN CC(=NNCC(F)F)c1cccc(OCCN(C)C)c1 ZINC000740617451 574961654 /nfs/dbraw/zinc/96/16/54/574961654.db2.gz VKHFSPQUEYEFJX-UHFFFAOYSA-N 0 3 285.338 2.206 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C\c2cccs2)CC1 ZINC000740737937 574967194 /nfs/dbraw/zinc/96/71/94/574967194.db2.gz NTSZJRRTWZEMRV-SREVYHEPSA-N 0 3 288.416 2.365 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000740942882 574971509 /nfs/dbraw/zinc/97/15/09/574971509.db2.gz BTJXVEKIACHLAI-XVKPBYJWSA-N 0 3 287.146 2.303 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1NC(=S)NN=C1CCN(C)[C@H](C)C1 ZINC000741457519 574987510 /nfs/dbraw/zinc/98/75/10/574987510.db2.gz VZSNCBOKPJJTNK-BZPMIXESSA-N 0 3 296.484 2.499 20 30 CEEDHN COc1ccc(CCNN=C2CCN(C)[C@H](C)C2)cc1 ZINC000741460596 574987861 /nfs/dbraw/zinc/98/78/61/574987861.db2.gz OJMVVBDKECMQKH-CYBMUJFWSA-N 0 3 275.396 2.297 20 30 CEEDHN Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)NC2CCCC2)o1 ZINC000744037937 575112354 /nfs/dbraw/zinc/11/23/54/575112354.db2.gz JOKXXDYPYDJTTJ-WCQYABFASA-N 0 3 288.347 2.459 20 30 CEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1Cc2ccccc21 ZINC000744038991 575112652 /nfs/dbraw/zinc/11/26/52/575112652.db2.gz GBQXAXXOKYSIRA-KBPBESRZSA-N 0 3 291.310 2.069 20 30 CEEDHN CCCC(C)=CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000747021276 575166307 /nfs/dbraw/zinc/16/63/07/575166307.db2.gz NIOFCIIWIUJISK-UCQJPZFISA-N 0 3 271.320 2.475 20 30 CEEDHN COC(=O)N(C)CC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000747198636 575168497 /nfs/dbraw/zinc/16/84/97/575168497.db2.gz IVWUBKGNTYXQIO-VIFPVBQESA-N 0 3 295.364 2.141 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@H](CN(C)C)C(C)C ZINC000747889070 575176367 /nfs/dbraw/zinc/17/63/67/575176367.db2.gz UCTRTJKMWWVQMU-OAHLLOKOSA-N 0 3 273.380 2.183 20 30 CEEDHN C[C@@H](Cc1cnccn1)NCc1cc(C#N)cs1 ZINC000748099533 575178340 /nfs/dbraw/zinc/17/83/40/575178340.db2.gz WZLRRRAWHNMVSN-JTQLQIEISA-N 0 3 258.350 2.131 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)NCCN1CCC[C@H]1C ZINC000749149938 575206994 /nfs/dbraw/zinc/20/69/94/575206994.db2.gz FDJYMJLVFBWYMP-CYBMUJFWSA-N 0 3 271.364 2.081 20 30 CEEDHN C#C[C@H](CC)NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000753130617 575320353 /nfs/dbraw/zinc/32/03/53/575320353.db2.gz NSZNZDZSDRKVCO-HZPDHXFCSA-N 0 3 287.407 2.309 20 30 CEEDHN C=CCOCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823925386 609166962 /nfs/dbraw/zinc/16/69/62/609166962.db2.gz JLMDRHLKWUBZBE-HNNXBMFYSA-N 0 3 299.378 2.036 20 30 CEEDHN C=CCOCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823925386 609166964 /nfs/dbraw/zinc/16/69/64/609166964.db2.gz JLMDRHLKWUBZBE-HNNXBMFYSA-N 0 3 299.378 2.036 20 30 CEEDHN C=C(C)C[N@@H+](C)Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000823878187 609371144 /nfs/dbraw/zinc/37/11/44/609371144.db2.gz STIDOFRPBAYIKK-UHFFFAOYSA-N 0 3 282.351 2.127 20 30 CEEDHN C=C(C)C[N@H+](C)Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000823878187 609371146 /nfs/dbraw/zinc/37/11/46/609371146.db2.gz STIDOFRPBAYIKK-UHFFFAOYSA-N 0 3 282.351 2.127 20 30 CEEDHN C=C(C)C[N@@H+](C)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000823878187 609371147 /nfs/dbraw/zinc/37/11/47/609371147.db2.gz STIDOFRPBAYIKK-UHFFFAOYSA-N 0 3 282.351 2.127 20 30 CEEDHN C=C(C)C[N@H+](C)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000823878187 609371150 /nfs/dbraw/zinc/37/11/50/609371150.db2.gz STIDOFRPBAYIKK-UHFFFAOYSA-N 0 3 282.351 2.127 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC000970569519 612961427 /nfs/dbraw/zinc/96/14/27/612961427.db2.gz BCPGPZJOHQTCOS-CRAIPNDOSA-N 0 3 296.414 2.005 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000970235059 612962994 /nfs/dbraw/zinc/96/29/94/612962994.db2.gz IUSOJKZBUJCENS-NUJGCVRESA-N 0 3 282.387 2.004 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)o2)C1 ZINC000970042738 612964987 /nfs/dbraw/zinc/96/49/87/612964987.db2.gz MEOAVIHBTUYEFN-OAHLLOKOSA-N 0 3 294.354 2.384 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(CCCC)cc2)C1 ZINC000969255743 612965467 /nfs/dbraw/zinc/96/54/67/612965467.db2.gz OCPVCADMUVFSLK-QGZVFWFLSA-N 0 3 284.403 2.467 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)C2CCCCCC2)C1 ZINC000969384385 612993984 /nfs/dbraw/zinc/99/39/84/612993984.db2.gz GOXKRFALDCLDEV-CQSZACIVSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC000970214174 612994138 /nfs/dbraw/zinc/99/41/38/612994138.db2.gz 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ZINC001025986367 627992855 /nfs/dbraw/zinc/99/28/55/627992855.db2.gz GDAIRPXRLFNUCY-SEBNEYGDSA-N 0 3 262.397 2.045 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2CC(OCC)C2)C1 ZINC001008264152 628261308 /nfs/dbraw/zinc/26/13/08/628261308.db2.gz MODGFUNIWTXTPI-PCKAHOCUSA-N 0 3 294.439 2.348 20 30 CEEDHN N#CC(C(=O)Cc1ccoc1)C(=O)Nc1ccccc1 ZINC000123610195 628385667 /nfs/dbraw/zinc/38/56/67/628385667.db2.gz HLQPRGILRBRYFB-ZDUSSCGKSA-N 0 3 268.272 2.170 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001008620184 628538776 /nfs/dbraw/zinc/53/87/76/628538776.db2.gz HBZVRPQCEBYPDI-CQSZACIVSA-N 0 3 295.386 2.385 20 30 CEEDHN C#CCNC(=O)CN(Cc1ccccc1)[C@H](C)CC ZINC000066864725 628580221 /nfs/dbraw/zinc/58/02/21/628580221.db2.gz XIUIERQJYRUYNY-CQSZACIVSA-N 0 3 258.365 2.037 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](NCc1cc(N)ccn1)CC2 ZINC000925765442 628751387 /nfs/dbraw/zinc/75/13/87/628751387.db2.gz BLNQVWLWWUVUAR-MRXNPFEDSA-N 0 3 264.332 2.313 20 30 CEEDHN COC(=O)CCC(C)(C)NCc1csc(C#N)c1 ZINC000893598387 628774956 /nfs/dbraw/zinc/77/49/56/628774956.db2.gz AURMLDROHLGJHV-UHFFFAOYSA-N 0 3 266.366 2.441 20 30 CEEDHN C(#Cc1ccccc1)CNCCc1cn2c(n1)SCC2 ZINC000893643448 628881085 /nfs/dbraw/zinc/88/10/85/628881085.db2.gz SMUFXJXBLLLOFL-UHFFFAOYSA-N 0 3 283.400 2.173 20 30 CEEDHN C=CCN(CCC(=O)N(C)OC)Cc1ccc(OC)cc1 ZINC000788011818 629220539 /nfs/dbraw/zinc/22/05/39/629220539.db2.gz FGKXRLAMRGAMJT-UHFFFAOYSA-N 0 3 292.379 2.093 20 30 CEEDHN CC(CCc1ccc(F)cc1F)=Nn1cnnc1 ZINC000794856330 629336699 /nfs/dbraw/zinc/33/66/99/629336699.db2.gz HZAOWKIAXQEEFI-UHFFFAOYSA-N 0 3 250.252 2.413 20 30 CEEDHN C#CCOc1ccc(NC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC000108453041 629412688 /nfs/dbraw/zinc/41/26/88/629412688.db2.gz YVLPTPDNPNMGIZ-HNNXBMFYSA-N 0 3 274.364 2.223 20 30 CEEDHN C(#Cc1ccccc1)CNCCO[C@H]1CCCCO1 ZINC000894560524 629527843 /nfs/dbraw/zinc/52/78/43/629527843.db2.gz DTWILFUPSQGENX-INIZCTEOSA-N 0 3 259.349 2.171 20 30 CEEDHN Cc1nc([C@H]2CCN(Cc3csc(C#N)c3)C2)n[nH]1 ZINC000894932575 629756011 /nfs/dbraw/zinc/75/60/11/629756011.db2.gz LXCWZWVAKCTFOQ-NSHDSACASA-N 0 3 273.365 2.036 20 30 CEEDHN Cc1n[nH]c([C@H]2CCN(Cc3csc(C#N)c3)C2)n1 ZINC000894932575 629756013 /nfs/dbraw/zinc/75/60/13/629756013.db2.gz LXCWZWVAKCTFOQ-NSHDSACASA-N 0 3 273.365 2.036 20 30 CEEDHN Cc1nnc([C@H]2CCN(Cc3csc(C#N)c3)C2)[nH]1 ZINC000894932575 629756015 /nfs/dbraw/zinc/75/60/15/629756015.db2.gz LXCWZWVAKCTFOQ-NSHDSACASA-N 0 3 273.365 2.036 20 30 CEEDHN C#CCCCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000192155473 629881543 /nfs/dbraw/zinc/88/15/43/629881543.db2.gz POHIWUXRLKOAGQ-UHFFFAOYSA-N 0 3 262.397 2.267 20 30 CEEDHN C=CCCCN(CC)CN1C[C@H]([C@H]2CCCO2)CC1=O ZINC000902669684 634776566 /nfs/dbraw/zinc/77/65/66/634776566.db2.gz QCVDOCRVNAGVLM-HUUCEWRRSA-N 0 3 280.412 2.260 20 30 CEEDHN CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN([O-])C2=O)C1 ZINC000895158087 629975410 /nfs/dbraw/zinc/97/54/10/629975410.db2.gz HVLXBAYZSQBMFJ-UPJWGTAASA-N 0 3 254.374 2.171 20 30 CEEDHN CC1(C)CCC[C@H](C[NH2+][C@H]2CCCN([O-])C2=O)C1 ZINC000895161448 629980435 /nfs/dbraw/zinc/98/04/35/629980435.db2.gz GRSUKZJLQAAYLA-RYUDHWBXSA-N 0 3 254.374 2.173 20 30 CEEDHN CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895162065 629981061 /nfs/dbraw/zinc/98/10/61/629981061.db2.gz WBEHVTFHNXLZSY-HUUCEWRRSA-N 0 3 276.380 2.368 20 30 CEEDHN CC[C@H](C[NH2+][C@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000895162569 629982274 /nfs/dbraw/zinc/98/22/74/629982274.db2.gz MRROHJSVDKJDNY-OCCSQVGLSA-N 0 3 262.353 2.150 20 30 CEEDHN CC1(C)CCC(C[NH2+][C@@H]2CCCN([O-])C2=O)CC1 ZINC000895163039 629983421 /nfs/dbraw/zinc/98/34/21/629983421.db2.gz PWIXTHVNPABDPL-GFCCVEGCSA-N 0 3 254.374 2.173 20 30 CEEDHN C=CCCNCc1sc(N2CCOCC2)nc1Cl ZINC000895242263 630057578 /nfs/dbraw/zinc/05/75/78/630057578.db2.gz AMSMDSUJQVYOIY-UHFFFAOYSA-N 0 3 287.816 2.299 20 30 CEEDHN C#CC1(O)CCN(Cc2ccc(OCC)cc2C)CC1 ZINC000895385435 630158201 /nfs/dbraw/zinc/15/82/01/630158201.db2.gz BNRMCJLRKJSTBY-UHFFFAOYSA-N 0 3 273.376 2.354 20 30 CEEDHN COC[C@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000895623781 630277522 /nfs/dbraw/zinc/27/75/22/630277522.db2.gz WSGCTVYCMXTYAV-WVSHTKLVSA-N 0 3 265.744 2.121 20 30 CEEDHN C#C[C@@H]1CCCCN1C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000895627622 630278802 /nfs/dbraw/zinc/27/88/02/630278802.db2.gz MYHBXEIAZNAIQY-KGLIPLIRSA-N 0 3 277.412 2.057 20 30 CEEDHN CN1CC[C@@H]1CNc1ccc2cc(C#N)ccc2n1 ZINC000895770318 630339244 /nfs/dbraw/zinc/33/92/44/630339244.db2.gz LXPPRGXHANSDGR-CYBMUJFWSA-N 0 3 252.321 2.222 20 30 CEEDHN COC(=O)C[C@@](C)(NCc1csc(C#N)c1)C1CC1 ZINC000895785859 630344538 /nfs/dbraw/zinc/34/45/38/630344538.db2.gz JJKIUJSKLIRDAK-CQSZACIVSA-N 0 3 278.377 2.441 20 30 CEEDHN COc1nccc(CN[C@H]2Cc3ccc(C#N)cc3C2)c1F ZINC000895861712 630372483 /nfs/dbraw/zinc/37/24/83/630372483.db2.gz RPEMPYNRBDYSGV-HNNXBMFYSA-N 0 3 297.333 2.358 20 30 CEEDHN COc1ccc([C@H](NC(C)C)C(=O)N[C@H](C)CC#N)cc1 ZINC000895982363 630428291 /nfs/dbraw/zinc/42/82/91/630428291.db2.gz JTGGDDYDKCOQFX-DOMZBBRYSA-N 0 3 289.379 2.153 20 30 CEEDHN C=CCCCC[C@@H](C)N[C@H]1CS(=O)(=O)C1(C)C ZINC000895983523 630428953 /nfs/dbraw/zinc/42/89/53/630428953.db2.gz OGBGDNZFHVRVOS-NEPJUHHUSA-N 0 3 259.415 2.287 20 30 CEEDHN N#Cc1cccc(CNCCc2nc3c(s2)CCC3)n1 ZINC000896842283 630687541 /nfs/dbraw/zinc/68/75/41/630687541.db2.gz RJXNSHWLFPUGTC-UHFFFAOYSA-N 0 3 284.388 2.231 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC001007006002 630700335 /nfs/dbraw/zinc/70/03/35/630700335.db2.gz ASMZSGVYDDEOPA-ZDUSSCGKSA-N 0 3 277.368 2.062 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2oc(C)nc2C)C1 ZINC001007006000 630700363 /nfs/dbraw/zinc/70/03/63/630700363.db2.gz ASMZSGVYDDEOPA-CYBMUJFWSA-N 0 3 277.368 2.062 20 30 CEEDHN C#CCN(C[C@H](CCOC)NC(=O)OC(C)(C)C)C(C)C ZINC000897170802 630973150 /nfs/dbraw/zinc/97/31/50/630973150.db2.gz ILFGTNGCALITLP-AWEZNQCLSA-N 0 3 298.427 2.260 20 30 CEEDHN Cc1ccccc1CCC(=O)C(C#N)C(=O)NC(C)C ZINC000103639286 631022760 /nfs/dbraw/zinc/02/27/60/631022760.db2.gz PKUHDEHIINDITK-CQSZACIVSA-N 0 3 272.348 2.161 20 30 CEEDHN Cc1ccc(C(=O)NCCN2CCCC[C@H]2C)cc1C#N ZINC000799560483 631044698 /nfs/dbraw/zinc/04/46/98/631044698.db2.gz JBINRXIAKOHJLK-CQSZACIVSA-N 0 3 285.391 2.471 20 30 CEEDHN CC#CCCNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897336128 631137089 /nfs/dbraw/zinc/13/70/89/631137089.db2.gz QARYVAJOKKYNBD-MRXNPFEDSA-N 0 3 288.391 2.264 20 30 CEEDHN CC(C)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@H]1C ZINC000985997515 631199632 /nfs/dbraw/zinc/19/96/32/631199632.db2.gz OETJGVHAAUXXHM-RISCZKNCSA-N 0 3 291.420 2.355 20 30 CEEDHN Cc1cccc(OCCN(C)CCO[C@H](C)C#N)c1 ZINC000801911885 631351093 /nfs/dbraw/zinc/35/10/93/631351093.db2.gz VPJDBTAUZCXJCD-CQSZACIVSA-N 0 3 262.353 2.234 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC[C@@H](Nc2ccccc2)C1 ZINC000801933512 631360843 /nfs/dbraw/zinc/36/08/43/631360843.db2.gz BTIBQRSVDBIATI-GOEBONIOSA-N 0 3 273.380 2.492 20 30 CEEDHN COC(=O)[C@H](C)[C@H](NCCO[C@H](C)C#N)c1ccccc1 ZINC000801934864 631361176 /nfs/dbraw/zinc/36/11/76/631361176.db2.gz SFRLUWFHQVOVIK-NFAWXSAZSA-N 0 3 290.363 2.055 20 30 CEEDHN C#CCSCC(=O)Nc1cccc(CN(C)C)c1 ZINC000888138568 631383829 /nfs/dbraw/zinc/38/38/29/631383829.db2.gz ULHBFGAHECJZAY-UHFFFAOYSA-N 0 3 262.378 2.053 20 30 CEEDHN C=CC[C@H](CO)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000321460043 631402165 /nfs/dbraw/zinc/40/21/65/631402165.db2.gz OXWDLKXCWGJAMK-LLVKDONJSA-N 0 3 270.716 2.275 20 30 CEEDHN C=CCN1CCN(CN(CC)C[C@@H](C)CC)C1=O ZINC000840027098 631640296 /nfs/dbraw/zinc/64/02/96/631640296.db2.gz VAARMMTZVZSSTC-ZDUSSCGKSA-N 0 3 253.390 2.236 20 30 CEEDHN C=CCN1CCN(CN2CC[C@@]3(CC[C@@H](C)C3)C2)C1=O ZINC000840041696 631672037 /nfs/dbraw/zinc/67/20/37/631672037.db2.gz DNNXTHLHZISGKW-GDBMZVCRSA-N 0 3 277.412 2.380 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(C)C)nc2)C1 ZINC000988961547 631710907 /nfs/dbraw/zinc/71/09/07/631710907.db2.gz PACOXJMGEMJRTF-DZGCQCFKSA-N 0 3 285.391 2.031 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2ccccc2CC)C1 ZINC000989033725 631717736 /nfs/dbraw/zinc/71/77/36/631717736.db2.gz KJLCIFVRGSAIDH-WMLDXEAASA-N 0 3 284.403 2.004 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(Cl)ccc2F)C1 ZINC000989137531 631733399 /nfs/dbraw/zinc/73/33/99/631733399.db2.gz LLNUQIFKKNBQON-PWSUYJOCSA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000989274357 631766012 /nfs/dbraw/zinc/76/60/12/631766012.db2.gz RMSAFBGWYUCTAJ-FZMZJTMJSA-N 0 3 299.349 2.133 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3ncccc3s2)C1 ZINC000989295968 631768943 /nfs/dbraw/zinc/76/89/43/631768943.db2.gz BKPHLSBWZACWIN-VXGBXAGGSA-N 0 3 299.399 2.122 20 30 CEEDHN C=CCN1CCC(NC(=O)N(CC(C)(C)C)OC)CC1 ZINC000806747248 631770713 /nfs/dbraw/zinc/77/07/13/631770713.db2.gz SIZZAMFMBCEIDW-UHFFFAOYSA-N 0 3 283.416 2.256 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897581247 631797344 /nfs/dbraw/zinc/79/73/44/631797344.db2.gz KVKHJVFUJXWVJN-CZUORRHYSA-N 0 3 288.391 2.214 20 30 CEEDHN C=CCCCCCCNC(=O)N1CCCN(C)CC1 ZINC000807572473 631852309 /nfs/dbraw/zinc/85/23/09/631852309.db2.gz JJGQAGRIDQMSDS-UHFFFAOYSA-N 0 3 267.417 2.470 20 30 CEEDHN C#CCCCCCCN1CC(c2cc(C(=O)OC)n[nH]2)C1 ZINC000898004225 631998426 /nfs/dbraw/zinc/99/84/26/631998426.db2.gz BBMYVKVTSMIVLF-UHFFFAOYSA-N 0 3 289.379 2.179 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC000809571701 632102778 /nfs/dbraw/zinc/10/27/78/632102778.db2.gz AHOZEQLHAWWQRI-QGZVFWFLSA-N 0 3 282.387 2.255 20 30 CEEDHN C#C[C@@H](C)NCc1c[nH]nc1-c1cccc(OC)c1 ZINC000809683592 632126679 /nfs/dbraw/zinc/12/66/79/632126679.db2.gz HGUPCZADVXIRCE-LLVKDONJSA-N 0 3 255.321 2.197 20 30 CEEDHN C#C[C@@H](NCc1ccc(C(=O)NC2CC2)cc1)C(C)C ZINC000809685150 632127004 /nfs/dbraw/zinc/12/70/04/632127004.db2.gz BNHNICOIRNELKY-MRXNPFEDSA-N 0 3 270.376 2.326 20 30 CEEDHN C#C[C@@H](NCc1cccc(NS(C)(=O)=O)c1)C(C)(C)C ZINC000809781746 632145383 /nfs/dbraw/zinc/14/53/83/632145383.db2.gz ZSLWVNBSOQQZEC-CQSZACIVSA-N 0 3 294.420 2.196 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(F)cc(Cl)c2)C1 ZINC000989475604 632181369 /nfs/dbraw/zinc/18/13/69/632181369.db2.gz AVNJUSHOLWDPGE-QMTHXVAHSA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCc2cc(C)cc(C)c2)C1 ZINC000989649307 632218286 /nfs/dbraw/zinc/21/82/86/632218286.db2.gz DTAKVFNYOJXTNP-AEFFLSMTSA-N 0 3 298.430 2.448 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2cccn2CC)CC1 ZINC000989677662 632222615 /nfs/dbraw/zinc/22/26/15/632222615.db2.gz YGLYRMMHVDCTLN-UHFFFAOYSA-N 0 3 275.396 2.232 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)cc2)C1 ZINC000989703316 632226727 /nfs/dbraw/zinc/22/67/27/632226727.db2.gz JZTILDAYERMYAK-BXUZGUMPSA-N 0 3 276.767 2.166 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(C)cc(C)c2)C1 ZINC000989721663 632231011 /nfs/dbraw/zinc/23/10/11/632231011.db2.gz DMWNMUQPIFUBRI-ZBFHGGJFSA-N 0 3 270.376 2.129 20 30 CEEDHN C#CCCN1CCCN(C(=O)Cc2ccc(C)s2)CC1 ZINC000989732255 632231628 /nfs/dbraw/zinc/23/16/28/632231628.db2.gz JDMUDATXZLZMGT-UHFFFAOYSA-N 0 3 290.432 2.157 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C)c(C)c2)C1 ZINC000989753138 632239102 /nfs/dbraw/zinc/23/91/02/632239102.db2.gz RZHRUVCSXGFQQU-HOCLYGCPSA-N 0 3 270.376 2.129 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccco3)CCC[C@@H]12 ZINC000989916518 632278797 /nfs/dbraw/zinc/27/87/97/632278797.db2.gz VGLKSYMAJDYSCP-UKRRQHHQSA-N 0 3 260.337 2.192 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccccc3O)CCC[C@H]12 ZINC000989960997 632290685 /nfs/dbraw/zinc/29/06/85/632290685.db2.gz PTQBRDHURGSWNZ-WMZOPIPTSA-N 0 3 298.386 2.142 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3cc[nH]c3C)CCC[C@H]12 ZINC000990178152 632325082 /nfs/dbraw/zinc/32/50/82/632325082.db2.gz VUHRXUQACSQUTF-DOTOQJQBSA-N 0 3 285.391 2.073 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)n3cccc3)CCC[C@@H]12 ZINC000990238295 632329702 /nfs/dbraw/zinc/32/97/02/632329702.db2.gz RGNNNNZCWQCEJW-BFYDXBDKSA-N 0 3 287.407 2.348 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)sn3)CCC[C@H]12 ZINC000990415459 632350430 /nfs/dbraw/zinc/35/04/30/632350430.db2.gz HCAZCQGYGMTXMS-DZGCQCFKSA-N 0 3 291.420 2.364 20 30 CEEDHN CC[C@@H](O)CNN=C1CCCC[C@@H]1N1CCCCC1 ZINC000811656150 632416421 /nfs/dbraw/zinc/41/64/21/632416421.db2.gz GBJUXCWZEJHOGW-HIFRSBDPSA-N 0 3 267.417 2.131 20 30 CEEDHN C#CCN(C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000812045765 632479148 /nfs/dbraw/zinc/47/91/48/632479148.db2.gz QCNITCDBIHPAAL-KRWDZBQOSA-N 0 3 299.418 2.488 20 30 CEEDHN C=C1CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000898693688 632582076 /nfs/dbraw/zinc/58/20/76/632582076.db2.gz ZCBZONHNAIHFIG-OAHLLOKOSA-N 0 3 288.366 2.436 20 30 CEEDHN CO[C@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813218763 632651132 /nfs/dbraw/zinc/65/11/32/632651132.db2.gz ZCSROBPRULANMP-VXNVDRBHSA-N 0 3 272.226 2.312 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NOC[C@@H](C)CC)CC1 ZINC000813632202 632719026 /nfs/dbraw/zinc/71/90/26/632719026.db2.gz YEEIKCGKHKJICH-ZDUSSCGKSA-N 0 3 283.416 2.304 20 30 CEEDHN CC[C@H](C(=O)NCc1ccc(SC)c(C#N)c1)N(C)C ZINC000899376117 632809325 /nfs/dbraw/zinc/80/93/25/632809325.db2.gz GZMAWMGDZBFLHY-CYBMUJFWSA-N 0 3 291.420 2.237 20 30 CEEDHN CC1/C(=C\c2ccc3c(c2)C[C@@H](C)O3)C(=O)c2ncnn21 ZINC000899379937 632821834 /nfs/dbraw/zinc/82/18/34/632821834.db2.gz DIKWQVQLDOREQP-WBLIOYGOSA-N 0 3 281.315 2.442 20 30 CEEDHN CC[C@@H](C#N)OC(=O)C1CCCN(c2ccccc2)C1=O ZINC000814611270 632869506 /nfs/dbraw/zinc/86/95/06/632869506.db2.gz JSMBXPPEUVUMBU-UONOGXRCSA-N 0 3 286.331 2.275 20 30 CEEDHN Cc1sccc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000814885770 632914094 /nfs/dbraw/zinc/91/40/94/632914094.db2.gz JOAUNNDQIBFBPR-RYUDHWBXSA-N 0 3 262.382 2.250 20 30 CEEDHN CCN(CC)CCNC(=O)/C=C\C(=O)c1ccc(C)cc1 ZINC000899905497 633090896 /nfs/dbraw/zinc/09/08/96/633090896.db2.gz VMJMBVGUEYGVPR-KHPPLWFESA-N 0 3 288.391 2.192 20 30 CEEDHN CN(CCC#N)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900357404 633681938 /nfs/dbraw/zinc/68/19/38/633681938.db2.gz VLXMQZLHJTYULP-UHFFFAOYSA-N 0 3 270.336 2.276 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2c(C)[nH]nc2Cl)CC1 ZINC000900600600 633778765 /nfs/dbraw/zinc/77/87/65/633778765.db2.gz ZDGWBQSQQKKFFF-UHFFFAOYSA-N 0 3 296.802 2.142 20 30 CEEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CNCCC2(F)F)cc1 ZINC000817980405 633823726 /nfs/dbraw/zinc/82/37/26/633823726.db2.gz LCLWMYWDUGMPNV-SWLSCSKDSA-N 0 3 294.345 2.346 20 30 CEEDHN CC(C)CC1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000818160629 633875531 /nfs/dbraw/zinc/87/55/31/633875531.db2.gz MKPKPZBPJNEKFW-AWEZNQCLSA-N 0 3 265.401 2.292 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000818611905 633959606 /nfs/dbraw/zinc/95/96/06/633959606.db2.gz HVDUXSDOXQYBDF-LSDHHAIUSA-N 0 3 264.413 2.274 20 30 CEEDHN CCCCCC[C@H](C)NN=C1CCN(CCO)CC1 ZINC000819808977 634268508 /nfs/dbraw/zinc/26/85/08/634268508.db2.gz XZFCNFCAOXCYMZ-AWEZNQCLSA-N 0 3 269.433 2.379 20 30 CEEDHN C#CCN(C)CCCNC(=O)C/C=C/Cc1ccccc1 ZINC000823188763 635092461 /nfs/dbraw/zinc/09/24/61/635092461.db2.gz XEBVCCXONYPSQV-BQYQJAHWSA-N 0 3 284.403 2.247 20 30 CEEDHN CC(C)N1CCC[C@@H]1C(=O)NCc1ccc(CC#N)cc1 ZINC000823441557 635178199 /nfs/dbraw/zinc/17/81/99/635178199.db2.gz CGYLGTTUICAISG-MRXNPFEDSA-N 0 3 285.391 2.242 20 30 CEEDHN COC(=O)C1(C#N)CCN(CC2(SC)CCC2)CC1 ZINC000824872625 635517160 /nfs/dbraw/zinc/51/71/60/635517160.db2.gz VGAYQNSPVPFVMX-UHFFFAOYSA-N 0 3 282.409 2.051 20 30 CEEDHN CCCn1nc(C)c(/C=C2\C(=O)c3ncnn3C2C)c1C ZINC000905084993 635799403 /nfs/dbraw/zinc/79/94/03/635799403.db2.gz KYWGRHVQMXEKTI-NUBYWOLOSA-N 0 3 285.351 2.342 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C(/C)c2ccco2)CC1 ZINC000826656246 635803691 /nfs/dbraw/zinc/80/36/91/635803691.db2.gz JVVGUDSLPYFVFV-SEYXRHQNSA-N 0 3 274.364 2.450 20 30 CEEDHN C[C@](O)(CNCc1ccc(C#N)c(Cl)c1)C(F)F ZINC000905255167 636176203 /nfs/dbraw/zinc/17/62/03/636176203.db2.gz QEDYNVRPVOPSFT-LBPRGKRZSA-N 0 3 274.698 2.317 20 30 CEEDHN Cc1cc(C(=O)NCCN2CCCC2)cc(C)c1C#N ZINC000905385321 636242906 /nfs/dbraw/zinc/24/29/06/636242906.db2.gz RBEOGYCRMWMNRQ-UHFFFAOYSA-N 0 3 271.364 2.001 20 30 CEEDHN N#CC1(C[C@@H](O)CNCc2nccc3c2CCCC3)CC1 ZINC000905517755 636317358 /nfs/dbraw/zinc/31/73/58/636317358.db2.gz UXUNHJXDALXRNN-CQSZACIVSA-N 0 3 285.391 2.105 20 30 CEEDHN C#C[C@H](NCc1c(C2CCC2)cnn1C)C1CCOCC1 ZINC000827554481 636351737 /nfs/dbraw/zinc/35/17/37/636351737.db2.gz FKPVBDCULBCXSJ-INIZCTEOSA-N 0 3 287.407 2.206 20 30 CEEDHN C#Cc1cccc(NC(=S)N[C@@H]2CCN(C)[C@H]2C)c1 ZINC000905650955 636363074 /nfs/dbraw/zinc/36/30/74/636363074.db2.gz UADLUCIWEPBNSW-SMDDNHRTSA-N 0 3 273.405 2.047 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@@H]2CCOc3c(F)cccc32)CC1 ZINC000905644745 636379277 /nfs/dbraw/zinc/37/92/77/636379277.db2.gz RTXOFLFGJBCHGO-SMDDNHRTSA-N 0 3 290.338 2.294 20 30 CEEDHN C#CCC[N@@H+](CCOC)Cc1ccc(OCC)cc1[O-] ZINC000827823450 636434641 /nfs/dbraw/zinc/43/46/41/636434641.db2.gz PFAIXLVPSZNXRQ-UHFFFAOYSA-N 0 3 277.364 2.263 20 30 CEEDHN C#CCC[N@H+](CCOC)Cc1ccc(OCC)cc1[O-] ZINC000827823450 636434644 /nfs/dbraw/zinc/43/46/44/636434644.db2.gz PFAIXLVPSZNXRQ-UHFFFAOYSA-N 0 3 277.364 2.263 20 30 CEEDHN CC(C)[C@H](N)c1cn(CC2CCC(C#N)CC2)nn1 ZINC000905817060 636485288 /nfs/dbraw/zinc/48/52/88/636485288.db2.gz XMJPHJSRCIEMMQ-YIZWMMSDSA-N 0 3 261.373 2.264 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)COCC1CCCCC1 ZINC000905858403 636492436 /nfs/dbraw/zinc/49/24/36/636492436.db2.gz JQXMSGGUSKOGIC-KBPBESRZSA-N 0 3 282.428 2.252 20 30 CEEDHN C#C[C@@H](NCCc1ncc(C)cc1C)[C@@H]1CCCO1 ZINC000828307162 636566083 /nfs/dbraw/zinc/56/60/83/636566083.db2.gz LLFDFAFZFPZFDA-ZBFHGGJFSA-N 0 3 258.365 2.011 20 30 CEEDHN CN(CCN1CCCC1)C(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000906558129 636773793 /nfs/dbraw/zinc/77/37/93/636773793.db2.gz DSBSDGIPDNTPDO-DQPZFDDXSA-N 0 3 289.423 2.261 20 30 CEEDHN C#CC[C@H]1CCCN(CC(=O)N2CCCCCC2)C1 ZINC000829768496 636925650 /nfs/dbraw/zinc/92/56/50/636925650.db2.gz DWADZCWMIOKDRJ-HNNXBMFYSA-N 0 3 262.397 2.124 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000876555096 650323677 /nfs/dbraw/zinc/32/36/77/650323677.db2.gz LYGSMOYAHIRMPY-BDAKNGLRSA-N 0 3 284.709 2.257 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(Br)n1 ZINC000831687839 637409934 /nfs/dbraw/zinc/40/99/34/637409934.db2.gz WYNIOKVUBZXNBP-MNOVXSKESA-N 0 3 283.169 2.277 20 30 CEEDHN C=CCN(C)C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000831808365 637440132 /nfs/dbraw/zinc/44/01/32/637440132.db2.gz IDHDXNHOYZKJQR-LLVKDONJSA-N 0 3 267.760 2.078 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(NC(C)=O)c1C ZINC000876576679 650341137 /nfs/dbraw/zinc/34/11/37/650341137.db2.gz JRASCMJTYNBATR-NSHDSACASA-N 0 3 295.770 2.362 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(COCC)cc1 ZINC000876588884 650347948 /nfs/dbraw/zinc/34/79/48/650347948.db2.gz GWQALIOVJKLBNK-AWEZNQCLSA-N 0 3 296.798 2.309 20 30 CEEDHN CCOC(=O)CN(CC(C)C)C[C@@H](C)CCC#N ZINC000876609595 650357956 /nfs/dbraw/zinc/35/79/56/650357956.db2.gz PIJOCXBBIVMFCX-ZDUSSCGKSA-N 0 3 254.374 2.447 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)cc1OC ZINC000876609105 650358167 /nfs/dbraw/zinc/35/81/67/650358167.db2.gz IHYYYHCQJWTTFR-JTQLQIEISA-N 0 3 268.744 2.412 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCc2ccccc2C1 ZINC000876650459 650376126 /nfs/dbraw/zinc/37/61/26/650376126.db2.gz TYONNLQUKFRNKV-CQSZACIVSA-N 0 3 278.783 2.431 20 30 CEEDHN CCN1CCCN(C(=O)c2cccc(CC#N)c2)[C@@H](C)C1 ZINC000910288500 637980045 /nfs/dbraw/zinc/98/00/45/637980045.db2.gz LHWJNDPARGPGHE-AWEZNQCLSA-N 0 3 285.391 2.309 20 30 CEEDHN Brc1c[nH]c(C=NNCCN2CCCCC2)c1 ZINC000834941942 637995405 /nfs/dbraw/zinc/99/54/05/637995405.db2.gz GZYIYOMMSZDIGP-UHFFFAOYSA-N 0 3 299.216 2.187 20 30 CEEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000835063135 638044793 /nfs/dbraw/zinc/04/47/93/638044793.db2.gz HMPJHTYEYHILPG-QWHCGFSZSA-N 0 3 274.320 2.149 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1C(C)C ZINC000876666051 650388541 /nfs/dbraw/zinc/38/85/41/650388541.db2.gz DFUCFWOPFKMAJG-NWDGAFQWSA-N 0 3 258.793 2.493 20 30 CEEDHN C[C@@H](O)C1CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876679699 650395934 /nfs/dbraw/zinc/39/59/34/650395934.db2.gz IVMBHDFUNHHLBB-CYBMUJFWSA-N 0 3 287.407 2.217 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000876686912 650398975 /nfs/dbraw/zinc/39/89/75/650398975.db2.gz BXMDWLYDIWFKCH-SDDRHHMPSA-N 0 3 288.844 2.343 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000876698676 650404719 /nfs/dbraw/zinc/40/47/19/650404719.db2.gz LSMUHINAUWKNOS-MISXGVKJSA-N 0 3 288.819 2.118 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCS[C@@H](C(C)C)C1 ZINC000876698493 650404912 /nfs/dbraw/zinc/40/49/12/650404912.db2.gz JVRGVYNFKYLRIU-WDEREUQCSA-N 0 3 276.833 2.056 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1N(C)C ZINC000876718757 650409746 /nfs/dbraw/zinc/40/97/46/650409746.db2.gz STVWFHVQBXABIF-SNVBAGLBSA-N 0 3 267.760 2.161 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1nc2ccccc2[nH]1 ZINC000911884383 638454221 /nfs/dbraw/zinc/45/42/21/638454221.db2.gz YFTHDXXMYQLWJR-SNVBAGLBSA-N 0 3 258.325 2.185 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2nccs2)CCCC1 ZINC000876769960 650426375 /nfs/dbraw/zinc/42/63/75/650426375.db2.gz FBAQRZWOPBTHCA-SNVBAGLBSA-N 0 3 299.827 2.499 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1nc(C2CC2)cs1 ZINC000876775797 650428180 /nfs/dbraw/zinc/42/81/80/650428180.db2.gz GURJXPSEHSJAGP-SECBINFHSA-N 0 3 285.800 2.107 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1nc2c(s1)CCC2 ZINC000912122504 638565162 /nfs/dbraw/zinc/56/51/62/638565162.db2.gz PLZCOOMOGRTGKN-VIFPVBQESA-N 0 3 265.382 2.254 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(Cl)nc1 ZINC000912203721 638605342 /nfs/dbraw/zinc/60/53/42/638605342.db2.gz BSQWXZWJXQKUPS-NSHDSACASA-N 0 3 267.760 2.035 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000912276817 638638924 /nfs/dbraw/zinc/63/89/24/638638924.db2.gz PGLQWJFOKKKCFJ-OAHLLOKOSA-N 0 3 284.363 2.494 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)CC(C)(C)C ZINC000836490953 638649108 /nfs/dbraw/zinc/64/91/08/638649108.db2.gz COLHFNLOQVOHPW-ZDUSSCGKSA-N 0 3 267.417 2.065 20 30 CEEDHN CC(C)(C(=O)N1CC[C@@](C)(C#N)C1)N1CCCCC1 ZINC000912706814 638996245 /nfs/dbraw/zinc/99/62/45/638996245.db2.gz AOHAHZVXWIEBSR-HNNXBMFYSA-N 0 3 263.385 2.013 20 30 CEEDHN N#Cc1cccc(CNC[C@H]2COc3ccccc3C2)n1 ZINC000876876344 650468674 /nfs/dbraw/zinc/46/86/74/650468674.db2.gz OMZCMCKLBQPFCE-ZDUSSCGKSA-N 0 3 279.343 2.294 20 30 CEEDHN C=CCC(F)(F)C(=O)NCCN1CCCC1(C)C ZINC000837175476 639095134 /nfs/dbraw/zinc/09/51/34/639095134.db2.gz SFRHOLZYQNNHJF-UHFFFAOYSA-N 0 3 260.328 2.188 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2ccsc2C1 ZINC000876881458 650471183 /nfs/dbraw/zinc/47/11/83/650471183.db2.gz GPZWGRQWQFJUCQ-JTQLQIEISA-N 0 3 270.785 2.103 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)c1ccc(OC)cc1OC ZINC000876886243 650474085 /nfs/dbraw/zinc/47/40/85/650474085.db2.gz WOWINGCTLIPFFZ-NSHDSACASA-N 0 3 298.770 2.137 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCO[C@@H](CC(C)C)C1 ZINC000876895153 650477115 /nfs/dbraw/zinc/47/71/15/650477115.db2.gz ZUCFKEKVHZAPJB-AVGNSLFASA-N 0 3 288.819 2.166 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1Cc2ccccc2OC[C@@H]1C ZINC000876906467 650480603 /nfs/dbraw/zinc/48/06/03/650480603.db2.gz ZXVZINMIXAYYRY-WCQYABFASA-N 0 3 294.782 2.266 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC1CCC1)C(C)C ZINC000876910456 650482477 /nfs/dbraw/zinc/48/24/77/650482477.db2.gz CDHAXANOXOHJHF-GFCCVEGCSA-N 0 3 258.793 2.493 20 30 CEEDHN C#CCCCCCCN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000876805665 639381257 /nfs/dbraw/zinc/38/12/57/639381257.db2.gz DVDXCKUWQQRGBY-CVEARBPZSA-N 0 3 265.397 2.450 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](COC)CC(C)(C)C ZINC000876953663 650504564 /nfs/dbraw/zinc/50/45/64/650504564.db2.gz XBOUAUYTENPURH-MNOVXSKESA-N 0 3 276.808 2.024 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](COC)CC(C)(C)C ZINC000876953664 650504597 /nfs/dbraw/zinc/50/45/97/650504597.db2.gz XBOUAUYTENPURH-QWRGUYRKSA-N 0 3 276.808 2.024 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)[C@H](N)CC(=C)Cl)C1 ZINC000876962491 650509084 /nfs/dbraw/zinc/50/90/84/650509084.db2.gz QQHCAGWFRSCTSV-NWDGAFQWSA-N 0 3 256.777 2.271 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCC)c(C)n1 ZINC000876976060 650515421 /nfs/dbraw/zinc/51/54/21/650515421.db2.gz MOPOIDJZSDTIKN-SNVBAGLBSA-N 0 3 283.759 2.197 20 30 CEEDHN CC(C)(C)OC(=O)NC[C@@H]1CCN(CCCC#N)C1 ZINC000170648003 639667054 /nfs/dbraw/zinc/66/70/54/639667054.db2.gz NDBCVVUQEHWNGT-LBPRGKRZSA-N 0 3 267.373 2.137 20 30 CEEDHN CCC(=NN(C)C[C@H](C)O)c1ccc(N(C)C)cc1 ZINC000841651239 639820989 /nfs/dbraw/zinc/82/09/89/639820989.db2.gz NRTJLXHXMJSZGN-LBPRGKRZSA-N 0 3 263.385 2.179 20 30 CEEDHN C[C@H](O)CN(C)N=Cc1ccc(N2CCCCC2)cc1 ZINC000841653765 639823931 /nfs/dbraw/zinc/82/39/31/639823931.db2.gz IUXXUWHAJUFKSU-AWEZNQCLSA-N 0 3 275.396 2.323 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@H]3CCC3(C)C)CCC[C@H]12 ZINC000992112162 639963107 /nfs/dbraw/zinc/96/31/07/639963107.db2.gz AQXHWMXWJDLTBG-JKIFEVAISA-N 0 3 274.408 2.169 20 30 CEEDHN Cc1ncccc1OC[C@H]1CCCN1CCO[C@H](C)C#N ZINC000842173151 639972772 /nfs/dbraw/zinc/97/27/72/639972772.db2.gz LAJWGXACXFPTNQ-UKRRQHHQSA-N 0 3 289.379 2.162 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3c[nH]cc3C)CCC[C@@H]12 ZINC000992477802 640111495 /nfs/dbraw/zinc/11/14/95/640111495.db2.gz NMVUCLZPZLJXML-GDBMZVCRSA-N 0 3 273.380 2.236 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000877061071 650554446 /nfs/dbraw/zinc/55/44/46/650554446.db2.gz XOKWLCOWNQDLHA-LSCVPOLPSA-N 0 3 256.777 2.009 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)CCC[C@H]12 ZINC000992551524 640172902 /nfs/dbraw/zinc/17/29/02/640172902.db2.gz SJXXIZKZYJOEAL-RZDRJOIRSA-N 0 3 298.430 2.025 20 30 CEEDHN CC[C@@H](C)OCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000152299828 640202866 /nfs/dbraw/zinc/20/28/66/640202866.db2.gz YRJOZAFAUZPGMA-OCCSQVGLSA-N 0 3 288.347 2.458 20 30 CEEDHN C[C@@H]1C[C@H](NCc2cc(C#N)cnc2Cl)CN1C1CC1 ZINC000877093237 650568983 /nfs/dbraw/zinc/56/89/83/650568983.db2.gz GRYRNCFMZGQBGH-MFKMUULPSA-N 0 3 290.798 2.321 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCc2ccc(Cl)cc21 ZINC000877093047 650569142 /nfs/dbraw/zinc/56/91/42/650569142.db2.gz NEPRESPEDGMIRC-UONOGXRCSA-N 0 3 291.782 2.465 20 30 CEEDHN C#CCN(C(=O)N[C@@H](CC)C(C)C)C1CCN(C)CC1 ZINC000914370713 640331725 /nfs/dbraw/zinc/33/17/25/640331725.db2.gz XVKSMDXLOHVHER-HNNXBMFYSA-N 0 3 279.428 2.160 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(F)c2)[C@H]1C ZINC000992985728 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C=C1CCC(C(=O)N[C@@H]2CCCN(CCOC)[C@H]2C)CC1 ZINC000993744727 640673515 /nfs/dbraw/zinc/67/35/15/640673515.db2.gz RBPHITQALXHDGC-GOEBONIOSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ocnc2CC)[C@@H]1C ZINC000993776917 640678930 /nfs/dbraw/zinc/67/89/30/640678930.db2.gz YBJWEBGEJUCJHC-GXTWGEPZSA-N 0 3 291.395 2.396 20 30 CEEDHN CN(C[C@H](O)c1cccc(C#N)c1)C[C@@H]1CCC(C)(C)O1 ZINC000844372381 640697277 /nfs/dbraw/zinc/69/72/77/640697277.db2.gz XVXCCONMXFDCIT-HOTGVXAUSA-N 0 3 288.391 2.481 20 30 CEEDHN CCCCOc1ccc(C(C)=NNC(=N)N)cc1OC ZINC000915959569 640708633 /nfs/dbraw/zinc/70/86/33/640708633.db2.gz RCEJVPSKCVANML-UHFFFAOYSA-N 0 3 278.356 2.081 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2[nH]cnc2CC)[C@H]1C ZINC000994299156 640808044 /nfs/dbraw/zinc/80/80/44/640808044.db2.gz TYIFWSKRPQFTQX-TZMCWYRMSA-N 0 3 290.411 2.131 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)CCCc1ccc(C)cc1 ZINC000916921239 640829604 /nfs/dbraw/zinc/82/96/04/640829604.db2.gz QZMJQPFEBMHWSV-HNNXBMFYSA-N 0 3 284.359 2.329 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCC2CC=CC2)CC1 ZINC000917141550 640857907 /nfs/dbraw/zinc/85/79/07/640857907.db2.gz CVQILJOAAALQPE-UHFFFAOYSA-N 0 3 277.412 2.292 20 30 CEEDHN Cn1ncc2cc(CN3CCC(CC#N)CC3)cnc21 ZINC000877191182 650618151 /nfs/dbraw/zinc/61/81/51/650618151.db2.gz JYMJPGABHNWCGX-UHFFFAOYSA-N 0 3 269.352 2.094 20 30 CEEDHN CCN1CCC[C@H](NC(=S)Nc2ccccc2C#N)C1 ZINC000918723360 640986634 /nfs/dbraw/zinc/98/66/34/640986634.db2.gz PMMNMHORZFKUNU-ZDUSSCGKSA-N 0 3 288.420 2.329 20 30 CEEDHN C=C(C)CONC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000845604043 641012542 /nfs/dbraw/zinc/01/25/42/641012542.db2.gz UNDXSODWWQPTDU-CQSZACIVSA-N 0 3 291.395 2.314 20 30 CEEDHN C=C[C@@H](C)ONC(=O)N(CCN(C)C)C1CCCC1 ZINC000845628085 641026941 /nfs/dbraw/zinc/02/69/41/641026941.db2.gz AVKVHCDWDWLXNA-GFCCVEGCSA-N 0 3 269.389 2.008 20 30 CEEDHN C#C[C@H]1CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000847026976 641533146 /nfs/dbraw/zinc/53/31/46/641533146.db2.gz RFCGJIGSZCBTPI-AWEZNQCLSA-N 0 3 284.359 2.291 20 30 CEEDHN C#CCC(C)(C)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000847254646 641617686 /nfs/dbraw/zinc/61/76/86/641617686.db2.gz GVMLPOUSSHFZDS-UONOGXRCSA-N 0 3 262.397 2.169 20 30 CEEDHN C[C@]1(CCNC(=O)[C@H](N)CCCCC#N)C[C@]1(F)Cl ZINC000848431198 641993702 /nfs/dbraw/zinc/99/37/02/641993702.db2.gz MOWMCCRJBKWGLU-KGYLQXTDSA-N 0 3 289.782 2.219 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC000848459668 642003643 /nfs/dbraw/zinc/00/36/43/642003643.db2.gz SDFDMPOSUKLLKD-ZDUSSCGKSA-N 0 3 297.362 2.426 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000185995338 642054973 /nfs/dbraw/zinc/05/49/73/642054973.db2.gz KLKVUFOYVWCSMG-RDJZCZTQSA-N 0 3 299.418 2.453 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccccc2)CC1 ZINC000996891046 642152666 /nfs/dbraw/zinc/15/26/66/642152666.db2.gz KKHWGSTYUKLMNQ-CQSZACIVSA-N 0 3 270.376 2.150 20 30 CEEDHN C#C[C@@H]1CCCN(Cc2ccccc2NC(C)=O)C1 ZINC000848923442 642195378 /nfs/dbraw/zinc/19/53/78/642195378.db2.gz FCDYEEAMWUWTPR-CQSZACIVSA-N 0 3 256.349 2.490 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cccn2CC=C)CC1 ZINC000997145461 642212158 /nfs/dbraw/zinc/21/21/58/642212158.db2.gz XTTHZQWNADTJBP-OAHLLOKOSA-N 0 3 299.418 2.138 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cccc(C)c2)CC1 ZINC000997464508 642264051 /nfs/dbraw/zinc/26/40/51/642264051.db2.gz QFWGVHJXNCMPQH-HNNXBMFYSA-N 0 3 284.403 2.459 20 30 CEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccncc2C)CC1 ZINC000997588033 642310364 /nfs/dbraw/zinc/31/03/64/642310364.db2.gz UHPGPMGYOCXTHC-HNNXBMFYSA-N 0 3 299.418 2.244 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)C2CCC(F)CC2)CC1 ZINC000997733844 642319664 /nfs/dbraw/zinc/31/96/64/642319664.db2.gz DOYISBGCAVZESE-JEYLPNPQSA-N 0 3 294.414 2.365 20 30 CEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2cccnc2)CC1 ZINC000997894353 642330635 /nfs/dbraw/zinc/33/06/35/642330635.db2.gz MOGQOHYEPQEIRQ-KRWDZBQOSA-N 0 3 299.418 2.422 20 30 CEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2[nH]ccc2C)CC1 ZINC000997997628 642354400 /nfs/dbraw/zinc/35/44/00/642354400.db2.gz GRZGRBUWTQHZHS-OAHLLOKOSA-N 0 3 287.407 2.273 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2CC=CC2)C1 ZINC000998564354 642418088 /nfs/dbraw/zinc/41/80/88/642418088.db2.gz JKMMCTSMTLMWDA-UHFFFAOYSA-N 0 3 268.788 2.284 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccc(F)cn2)C1 ZINC000998669491 642427816 /nfs/dbraw/zinc/42/78/16/642427816.db2.gz PULDSZLXICUMCA-UHFFFAOYSA-N 0 3 297.761 2.166 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccns2)C1 ZINC000998852715 642439382 /nfs/dbraw/zinc/43/93/82/642439382.db2.gz ZYLDYQVLHZVUIU-UHFFFAOYSA-N 0 3 285.800 2.088 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC000999437193 642488418 /nfs/dbraw/zinc/48/84/18/642488418.db2.gz MMDNOYXEMMCWCR-IKWCTNDRSA-N 0 3 270.804 2.364 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000999542200 642496383 /nfs/dbraw/zinc/49/63/83/642496383.db2.gz WTUKCJNYIAOXBJ-CLRIEMFWSA-N 0 3 282.815 2.364 20 30 CEEDHN CC#CCN1CCC(C2(NC(=O)c3cc[nH]c3C)CC2)CC1 ZINC001000112932 642533987 /nfs/dbraw/zinc/53/39/87/642533987.db2.gz HXOCQXJWQUNZHK-UHFFFAOYSA-N 0 3 299.418 2.321 20 30 CEEDHN C=CCCn1cc(CN[C@H]2CC[C@H](SC)C2)nn1 ZINC000850163201 642599703 /nfs/dbraw/zinc/59/97/03/642599703.db2.gz YAFWUURNIJLICE-AAEUAGOBSA-N 0 3 266.414 2.228 20 30 CEEDHN C#C[C@H](NCc1cc(C(=O)OC)c(C)[nH]1)C(C)(C)C ZINC000877532495 650772193 /nfs/dbraw/zinc/77/21/93/650772193.db2.gz HIQDXJZBEKQPOF-ZDUSSCGKSA-N 0 3 262.353 2.247 20 30 CEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2c2ccncc2)CC1 ZINC001000702076 642640734 /nfs/dbraw/zinc/64/07/34/642640734.db2.gz PKRIXBMFCZNFDY-DLBZAZTESA-N 0 3 297.402 2.119 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2cc(C)c(C)cn2)CC1 ZINC001000986772 642676487 /nfs/dbraw/zinc/67/64/87/642676487.db2.gz VLTYUZFLXLYSCH-UHFFFAOYSA-N 0 3 285.391 2.246 20 30 CEEDHN CC(C)[C@@](C)(CO)NCc1cc(C#N)cnc1Cl ZINC000877538779 650775782 /nfs/dbraw/zinc/77/57/82/650775782.db2.gz DPIBQDYKJMEJAW-CYBMUJFWSA-N 0 3 267.760 2.103 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2ccccc2C)CC1 ZINC001001158353 642691936 /nfs/dbraw/zinc/69/19/36/642691936.db2.gz WHZIUKHZMWLVQZ-UHFFFAOYSA-N 0 3 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CEEDHN C[C@@H](Cc1ccco1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000850781988 642785106 /nfs/dbraw/zinc/78/51/06/642785106.db2.gz HYAIYEVHGQBAEM-WCQYABFASA-N 0 3 297.314 2.201 20 30 CEEDHN C=CCN1CCC(NC(=O)c2sc(Cl)nc2C)CC1 ZINC001002920958 642866079 /nfs/dbraw/zinc/86/60/79/642866079.db2.gz LFRDFDZPZGOPJC-UHFFFAOYSA-N 0 3 299.827 2.485 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(Cl)c(C)nn1C ZINC000922091007 642874900 /nfs/dbraw/zinc/87/49/00/642874900.db2.gz ZWFUBCOZZNITRZ-FZMZJTMJSA-N 0 3 283.803 2.453 20 30 CEEDHN CC[C@H](NCc1csc(C#N)c1)[C@H](O)C(F)F ZINC000922152291 642908646 /nfs/dbraw/zinc/90/86/46/642908646.db2.gz BLYSQVSSLDGKHX-UWVGGRQHSA-N 0 3 260.309 2.114 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)[nH]2)CC1 ZINC001003578652 642958052 /nfs/dbraw/zinc/95/80/52/642958052.db2.gz IETJBZSTTBCGNM-UHFFFAOYSA-N 0 3 267.760 2.048 20 30 CEEDHN N#Cc1ccc(Br)c(CNC[C@H]2C[C@@H](O)C2)c1 ZINC000922296599 643006580 /nfs/dbraw/zinc/00/65/80/643006580.db2.gz RUHSWCFAKHRWDG-KLPPZKSPSA-N 0 3 295.180 2.181 20 30 CEEDHN C#CCOCCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000851721624 643125765 /nfs/dbraw/zinc/12/57/65/643125765.db2.gz OBTKIUPNIYEFIT-AWEZNQCLSA-N 0 3 279.405 2.379 20 30 CEEDHN C#CCOCCN(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000851726240 643128585 /nfs/dbraw/zinc/12/85/85/643128585.db2.gz MPTMRYARRLPEKK-UHFFFAOYSA-N 0 3 299.317 2.378 20 30 CEEDHN C#CCN(C[C@@H](COC)OC)[C@@H]1CCc2ccccc21 ZINC000851736252 643135143 /nfs/dbraw/zinc/13/51/43/643135143.db2.gz OIYFMGGCXNHPTH-DOTOQJQBSA-N 0 3 273.376 2.271 20 30 CEEDHN C#CCOCCN(C)[C@@H](C)c1sc(C)nc1C ZINC000851761861 643148016 /nfs/dbraw/zinc/14/80/16/643148016.db2.gz BYUSYVCDXKNOFN-NSHDSACASA-N 0 3 252.383 2.403 20 30 CEEDHN C#CCCN1CCN(C[C@@H](OC)C2CCCCC2)CC1 ZINC000851873425 643203372 /nfs/dbraw/zinc/20/33/72/643203372.db2.gz XYQZZJLWWRXAGV-QGZVFWFLSA-N 0 3 278.440 2.223 20 30 CEEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)N1CCC(C)CC1 ZINC000852098133 643300342 /nfs/dbraw/zinc/30/03/42/643300342.db2.gz GAAKUJNAOGYYAH-HIFRSBDPSA-N 0 3 250.386 2.025 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000852097897 643300445 /nfs/dbraw/zinc/30/04/45/643300445.db2.gz ZXJGEGZNBQVHAT-DSJMHWKBSA-N 0 3 264.413 2.319 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCCC[C@@H]1CC=C ZINC000852357846 643407129 /nfs/dbraw/zinc/40/71/29/643407129.db2.gz IWCAUJSYPFTOCM-HOTGVXAUSA-N 0 3 291.439 2.376 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)C1CCC(F)CC1 ZINC000852360032 643407939 /nfs/dbraw/zinc/40/79/39/643407939.db2.gz SMBNDTICCJCIQY-WLYUNCDWSA-N 0 3 297.418 2.158 20 30 CEEDHN C#CCCN(C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000852450425 643430287 /nfs/dbraw/zinc/43/02/87/643430287.db2.gz MDQZVQHETDKSHX-UHFFFAOYSA-N 0 3 278.396 2.484 20 30 CEEDHN C#C[C@H](NC[C@@H](O)c1cc(F)ccc1F)C1CCOCC1 ZINC000853115800 643664267 /nfs/dbraw/zinc/66/42/67/643664267.db2.gz LVCFGWZJDADLQQ-JKSUJKDBSA-N 0 3 295.329 2.016 20 30 CEEDHN CC(C)N(Cc1ccc(F)cc1)C[C@H](O)CC#N ZINC000929379725 643667409 /nfs/dbraw/zinc/66/74/09/643667409.db2.gz SVGHZACFSYBMOZ-CQSZACIVSA-N 0 3 250.317 2.311 20 30 CEEDHN CC(C)(NCc1cccc(C#N)n1)[C@@H]1CCCCO1 ZINC000877702282 650859366 /nfs/dbraw/zinc/85/93/66/650859366.db2.gz OKLIPDZMVGNVCM-AWEZNQCLSA-N 0 3 259.353 2.391 20 30 CEEDHN CN(C)c1ncc(CN(C)CCc2cccc(C#N)c2)cn1 ZINC000877704633 650860738 /nfs/dbraw/zinc/86/07/38/650860738.db2.gz SAOWSUFOESPQCT-UHFFFAOYSA-N 0 3 295.390 2.089 20 30 CEEDHN Cc1n[nH]cc1CN(C)CCc1cccc(C#N)c1 ZINC000877704790 650861630 /nfs/dbraw/zinc/86/16/30/650861630.db2.gz VXPOZBAQHWZVGX-UHFFFAOYSA-N 0 3 254.337 2.264 20 30 CEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cn(CC)cn2)CC1 ZINC001006297162 643806777 /nfs/dbraw/zinc/80/67/77/643806777.db2.gz NXOOPJHEEDGGOI-UHFFFAOYSA-N 0 3 290.411 2.016 20 30 CEEDHN C=CC[C@@H]1CCCN(CN2C[C@@H](C)[C@H](C)C2=O)C1 ZINC000853537326 643807681 /nfs/dbraw/zinc/80/76/81/643807681.db2.gz VDYJCAJGGVSZOW-HZSPNIEDSA-N 0 3 250.386 2.346 20 30 CEEDHN C#C[C@H](CC)NC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000854071072 643976921 /nfs/dbraw/zinc/97/69/21/643976921.db2.gz WCCOSQRSRNUORZ-CQSZACIVSA-N 0 3 291.395 2.073 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)C1CC1 ZINC000838799673 644015730 /nfs/dbraw/zinc/01/57/30/644015730.db2.gz VCXKBAIAVNKMKV-INIZCTEOSA-N 0 3 261.365 2.454 20 30 CEEDHN CC(C)C#CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000854483801 644067877 /nfs/dbraw/zinc/06/78/77/644067877.db2.gz JBIWNRWYPBAZAU-WBVHZDCISA-N 0 3 284.403 2.425 20 30 CEEDHN C#C[C@@](C)(CC)NC(=O)c1cccc(CN(C)C)c1 ZINC000854698114 644135369 /nfs/dbraw/zinc/13/53/69/644135369.db2.gz RQTOKGHGYDTQNJ-INIZCTEOSA-N 0 3 258.365 2.280 20 30 CEEDHN COc1cnc(F)c(CN[C@@H]2Cc3ccc(C#N)cc3C2)c1 ZINC000877767084 650903206 /nfs/dbraw/zinc/90/32/06/650903206.db2.gz VLESGWMWZMUINP-OAHLLOKOSA-N 0 3 297.333 2.358 20 30 CEEDHN CC[C@H](C[C@H](C)O)NCc1cc(C#N)cnc1Cl ZINC000877779151 650907381 /nfs/dbraw/zinc/90/73/81/650907381.db2.gz ZNEAMWFPMYZRAL-JOYOIKCWSA-N 0 3 267.760 2.246 20 30 CEEDHN Cc1ccsc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753936924 644297153 /nfs/dbraw/zinc/29/71/53/644297153.db2.gz XDJSPFDBHCGCMU-PHIMTYICSA-N 0 3 262.382 2.250 20 30 CEEDHN C#CCN1CCC(C(=O)NCc2ccc3occc3c2)CC1 ZINC000855386444 644327116 /nfs/dbraw/zinc/32/71/16/644327116.db2.gz XJMHPSKOQHIKMP-UHFFFAOYSA-N 0 3 296.370 2.394 20 30 CEEDHN CCCCCCN(C)CC(=O)N([C@H](C)C#N)C1CC1 ZINC000855583702 644399290 /nfs/dbraw/zinc/39/92/90/644399290.db2.gz HHWXFUQDUQXJBD-CYBMUJFWSA-N 0 3 265.401 2.402 20 30 CEEDHN C=CCc1cc(OC)cc(CN2CCCOCC2)c1O ZINC000754719610 644419002 /nfs/dbraw/zinc/41/90/02/644419002.db2.gz FSYOVYIIQINYAI-UHFFFAOYSA-N 0 3 277.364 2.352 20 30 CEEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccc(C#N)cc1 ZINC000755893514 644576635 /nfs/dbraw/zinc/57/66/35/644576635.db2.gz VGRFWNDEYLBVND-NSHDSACASA-N 0 3 254.337 2.440 20 30 CEEDHN C#CC[C@H](NC(=O)CN(C)CCC)c1ccccc1 ZINC000757618292 644826258 /nfs/dbraw/zinc/82/62/58/644826258.db2.gz VVROXGINOQABGO-HNNXBMFYSA-N 0 3 258.365 2.209 20 30 CEEDHN C#CCCN1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858047175 645053291 /nfs/dbraw/zinc/05/32/91/645053291.db2.gz JANYALQRNXEPNP-HNNXBMFYSA-N 0 3 256.349 2.435 20 30 CEEDHN C#CCCCCCN1CCN(Cc2cscn2)CC1 ZINC000878032733 650979161 /nfs/dbraw/zinc/97/91/61/650979161.db2.gz SDGWIBCUAHOZIP-UHFFFAOYSA-N 0 3 277.437 2.454 20 30 CEEDHN C#CC[C@H](COC)NCc1ccc2c(c1)OC(F)(F)O2 ZINC000858334248 645122196 /nfs/dbraw/zinc/12/21/96/645122196.db2.gz KJNJIXYXUZVJFD-LLVKDONJSA-N 0 3 283.274 2.136 20 30 CEEDHN C#CC[C@@H](COC)NCc1ccc(OCC=C)c(OC)c1 ZINC000858335655 645123062 /nfs/dbraw/zinc/12/30/62/645123062.db2.gz BTRHLGXXDMDJTF-HNNXBMFYSA-N 0 3 289.375 2.388 20 30 CEEDHN C#CC[C@@H](COC)NCc1ccc(OCC(F)F)cc1 ZINC000858335452 645123360 /nfs/dbraw/zinc/12/33/60/645123360.db2.gz VHOCRSKGEKFWJA-ZDUSSCGKSA-N 0 3 283.318 2.458 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc[nH]2)CC1 ZINC000760313961 645136931 /nfs/dbraw/zinc/13/69/31/645136931.db2.gz RCRWEDVVNAHVAH-CYBMUJFWSA-N 0 3 290.411 2.415 20 30 CEEDHN N#CC(C(=O)c1ccc(-n2cccc2)nc1)c1ccncn1 ZINC000760357102 645147077 /nfs/dbraw/zinc/14/70/77/645147077.db2.gz KEHFEIZSZZRFDT-CYBMUJFWSA-N 0 3 289.298 2.152 20 30 CEEDHN C=CC[C@@H](C)[C@H](C)NC(c1ccnn1C)c1ccnn1C ZINC000858581335 645209981 /nfs/dbraw/zinc/20/99/81/645209981.db2.gz IZULMCQKRNAMDW-OLZOCXBDSA-N 0 3 287.411 2.433 20 30 CEEDHN C#CCNC(=O)CN(Cc1ccccc1)C(C)(C)C ZINC000761886034 645334128 /nfs/dbraw/zinc/33/41/28/645334128.db2.gz KGIHQAXNQXYODW-UHFFFAOYSA-N 0 3 258.365 2.037 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000764760413 645686557 /nfs/dbraw/zinc/68/65/57/645686557.db2.gz WWCNGXPBBRAIDZ-BWACUDIHSA-N 0 3 295.342 2.176 20 30 CEEDHN N#CCc1cccc2c1CCN(CC[C@@H]1CCOC1=O)C2 ZINC000860107013 645701575 /nfs/dbraw/zinc/70/15/75/645701575.db2.gz XNSNYMLYHFFBMJ-CQSZACIVSA-N 0 3 284.359 2.064 20 30 CEEDHN CCC[C@H](OCC)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000860465609 645799056 /nfs/dbraw/zinc/79/90/56/645799056.db2.gz KZSDRXZVXFJPSZ-JSGCOSHPSA-N 0 3 275.352 2.475 20 30 CEEDHN Cc1ccccc1C[C@H](C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000860473235 645800204 /nfs/dbraw/zinc/80/02/04/645800204.db2.gz KCYTVRFYEHHCPR-WFASDCNBSA-N 0 3 284.359 2.161 20 30 CEEDHN C=CC[C@H](C)N1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000878263768 651048265 /nfs/dbraw/zinc/04/82/65/651048265.db2.gz UQOPMLYAQWTRCG-NWDGAFQWSA-N 0 3 253.415 2.060 20 30 CEEDHN C=CC[C@@H](C(=O)OC)N1CCCC[C@H](SC)C1 ZINC000878287224 651053683 /nfs/dbraw/zinc/05/36/83/651053683.db2.gz RQLQLECSTRYZTC-RYUDHWBXSA-N 0 3 257.399 2.322 20 30 CEEDHN C#CCCCN(C)CC(=O)N(C)C1CCCCC1 ZINC000766895476 645934255 /nfs/dbraw/zinc/93/42/55/645934255.db2.gz NIHPJHJLCAEQFT-UHFFFAOYSA-N 0 3 250.386 2.123 20 30 CEEDHN C=CCCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768448652 646123871 /nfs/dbraw/zinc/12/38/71/646123871.db2.gz UWVUKBOARXUANO-CQSZACIVSA-N 0 3 263.337 2.216 20 30 CEEDHN C=CCCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768448652 646123874 /nfs/dbraw/zinc/12/38/74/646123874.db2.gz UWVUKBOARXUANO-CQSZACIVSA-N 0 3 263.337 2.216 20 30 CEEDHN CCN(C(=O)C#Cc1cccs1)C1CCN(C)CC1 ZINC000861890290 646292628 /nfs/dbraw/zinc/29/26/28/646292628.db2.gz GADBPZDUCLWKDH-UHFFFAOYSA-N 0 3 276.405 2.042 20 30 CEEDHN C#Cc1ccccc1CC(=O)N(CC)C1CCN(C)CC1 ZINC000861890006 646292911 /nfs/dbraw/zinc/29/29/11/646292911.db2.gz BRWIZXUFJGJDQA-UHFFFAOYSA-N 0 3 284.403 2.153 20 30 CEEDHN C#CC[C@@H]1CCN(Cc2cc(C(=O)OCC)c(C)[nH]2)C1 ZINC000862447034 646463865 /nfs/dbraw/zinc/46/38/65/646463865.db2.gz HCKQQGOCSVDDLR-CYBMUJFWSA-N 0 3 274.364 2.345 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1CC=C(C(=O)OCC)C1 ZINC000862487081 646476347 /nfs/dbraw/zinc/47/63/47/646476347.db2.gz LMAULGCYDWEXPQ-MRXNPFEDSA-N 0 3 299.370 2.440 20 30 CEEDHN c1cc2ncnc(N=NC3CN4C[C@@H]3CCC4)c2s1 ZINC000863103187 646635791 /nfs/dbraw/zinc/63/57/91/646635791.db2.gz OGBCTPWVIRIFNF-VIFPVBQESA-N 0 3 273.365 2.185 20 30 CEEDHN CCn1nc(C)c(C=NNc2ccnc(C)c2)c1C ZINC000863159424 646657817 /nfs/dbraw/zinc/65/78/17/646657817.db2.gz QOHQKSRCZHRZBK-UHFFFAOYSA-N 0 3 257.341 2.091 20 30 CEEDHN N#Cc1cc(Cl)ccc1CN[C@@H](CCO)C1CC1 ZINC000775669733 646978697 /nfs/dbraw/zinc/97/86/97/646978697.db2.gz ICMRRIVTRHAKPZ-AWEZNQCLSA-N 0 3 264.756 2.462 20 30 CEEDHN C[C@H](CC#N)N(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775677818 646979895 /nfs/dbraw/zinc/97/98/95/646979895.db2.gz RJTBCCOQHQBHHA-OAHLLOKOSA-N 0 3 286.423 2.172 20 30 CEEDHN C#C[C@@H](NCCc1ccc(F)c(F)c1)[C@@H]1CCCO1 ZINC000775806514 646995225 /nfs/dbraw/zinc/99/52/25/646995225.db2.gz MEIFPNIGDDMRGW-CABCVRRESA-N 0 3 265.303 2.278 20 30 CEEDHN CC[S@@](=O)CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000776739963 647086994 /nfs/dbraw/zinc/08/69/94/647086994.db2.gz XREKECLNJZGIAN-MLCYQJTMSA-N 0 3 268.357 2.117 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2cccnc2Cl)CC1 ZINC000865194292 647202687 /nfs/dbraw/zinc/20/26/87/647202687.db2.gz TZQUYBKYMKZTLE-UHFFFAOYSA-N 0 3 293.798 2.044 20 30 CEEDHN C[C@H](CNC(=O)c1cccc(F)c1C#N)N1CCCCC1 ZINC000778544893 647241036 /nfs/dbraw/zinc/24/10/36/647241036.db2.gz ZTFVPFMWXDLMFW-GFCCVEGCSA-N 0 3 289.354 2.302 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCN1CCOC1=O ZINC000782188329 647598315 /nfs/dbraw/zinc/59/83/15/647598315.db2.gz BWBSVRBHSCBBLZ-LBPRGKRZSA-N 0 3 273.336 2.003 20 30 CEEDHN CN(CCO)c1ccc(C=NNCCC(C)(C)C)cc1 ZINC000782907006 647662680 /nfs/dbraw/zinc/66/26/80/647662680.db2.gz HWPKKFVVNQLPRP-UHFFFAOYSA-N 0 3 277.412 2.475 20 30 CEEDHN C#CC[C@H](OC(=O)C1CCN(C2CC2)CC1)C1CC1 ZINC000788190527 648161635 /nfs/dbraw/zinc/16/16/35/648161635.db2.gz YJCHNKBXRPVKDS-HNNXBMFYSA-N 0 3 261.365 2.206 20 30 CEEDHN CCC(=NN[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000788441077 648184934 /nfs/dbraw/zinc/18/49/34/648184934.db2.gz HNGWWWMLEMKDNO-ZDUSSCGKSA-N 0 3 261.369 2.245 20 30 CEEDHN CN(C)c1ccc(C=NNCCc2ccccn2)cc1 ZINC000789105485 648260166 /nfs/dbraw/zinc/26/01/66/648260166.db2.gz RTDXXCAKNMBXIW-UHFFFAOYSA-N 0 3 268.364 2.314 20 30 CEEDHN C=CC[C@H](CO)C[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872053369 649255867 /nfs/dbraw/zinc/25/58/67/649255867.db2.gz JFHXEAFXVIOQNM-QWRGUYRKSA-N 0 3 253.317 2.367 20 30 CEEDHN N#Cc1ccc([C@H](O)CN[C@@H]2CCCC[C@@H]2F)cc1 ZINC000872218988 649320402 /nfs/dbraw/zinc/32/04/02/649320402.db2.gz PTKRKAABJXCBOX-RRFJBIMHSA-N 0 3 262.328 2.462 20 30 CEEDHN C[C@@H]1C(N=Nc2nncc3ccccc32)CCN1C ZINC000872327173 649358356 /nfs/dbraw/zinc/35/83/56/649358356.db2.gz JVAJTRHSJCTCEY-SNVBAGLBSA-N 0 3 255.325 2.122 20 30 CEEDHN FC(F)(F)C(F)(F)C=NNCCN1CCCCC1 ZINC000872343599 649361042 /nfs/dbraw/zinc/36/10/42/649361042.db2.gz HXYZUWOMSZKSJA-UHFFFAOYSA-N 0 3 273.249 2.245 20 30 CEEDHN C=CCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874827292 649843670 /nfs/dbraw/zinc/84/36/70/649843670.db2.gz QOYHLUIRNGKDQG-STQMWFEESA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000878751260 651178953 /nfs/dbraw/zinc/17/89/53/651178953.db2.gz WAMHXXYXAZYMOG-ZFWWWQNUSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCCCN1Cc2cccnc2N2C[C@H](OC)C[C@H]2C1 ZINC000879274267 651274603 /nfs/dbraw/zinc/27/46/03/651274603.db2.gz XVJATTMYHBJSBG-JKSUJKDBSA-N 0 3 287.407 2.457 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](O)[C@@H]3CCCC[C@H]32)o1 ZINC000879418804 651300644 /nfs/dbraw/zinc/30/06/44/651300644.db2.gz KMDITFPHQIECTH-KFWWJZLASA-N 0 3 260.337 2.277 20 30 CEEDHN CN(CCc1cccc(C#N)c1)C[C@H]1COC(C)(C)O1 ZINC000879432580 651302438 /nfs/dbraw/zinc/30/24/38/651302438.db2.gz MNOYOAZDUWRNAY-HNNXBMFYSA-N 0 3 274.364 2.184 20 30 CEEDHN CN(CCc1cccc(C#N)c1)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000879432381 651302558 /nfs/dbraw/zinc/30/25/58/651302558.db2.gz JFHXZUGZZSNIKK-INIZCTEOSA-N 0 3 299.374 2.016 20 30 CEEDHN CCOC(CN(C)CCc1cccc(C#N)c1)OCC ZINC000879432843 651303344 /nfs/dbraw/zinc/30/33/44/651303344.db2.gz JFNABQMEVNWBLR-UHFFFAOYSA-N 0 3 276.380 2.432 20 30 CEEDHN C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653035 651336135 /nfs/dbraw/zinc/33/61/35/651336135.db2.gz KRRYMXPSRDPPKS-ZDUSSCGKSA-N 0 3 276.380 2.467 20 30 CEEDHN C[C@H](C#N)OCCN[C@@H](C)c1cc2cnccc2o1 ZINC000879714891 651343272 /nfs/dbraw/zinc/34/32/72/651343272.db2.gz KPHSNUHTFXPITF-MNOVXSKESA-N 0 3 259.309 2.407 20 30 CEEDHN Cc1nccnc1[C@@H](C)NCCCSCC#N ZINC000880106900 651384241 /nfs/dbraw/zinc/38/42/41/651384241.db2.gz OUUGTGRNPVEZFD-SNVBAGLBSA-N 0 3 250.371 2.083 20 30 CEEDHN C[C@@]1(c2ccccc2)CCCN1CC(=O)NCCC#N ZINC000880371430 651430771 /nfs/dbraw/zinc/43/07/71/651430771.db2.gz HWBANMOPPNLRMN-INIZCTEOSA-N 0 3 271.364 2.027 20 30 CEEDHN C#CCC1(O)CCN(CCCC(=O)c2ccccc2)CC1 ZINC000880483447 651448664 /nfs/dbraw/zinc/44/86/64/651448664.db2.gz CXZFIKFMMHALMD-UHFFFAOYSA-N 0 3 285.387 2.500 20 30 CEEDHN N#CCCOCCN[C@H](Cn1ccnc1)c1ccccc1 ZINC000880569800 651462009 /nfs/dbraw/zinc/46/20/09/651462009.db2.gz PDGVMJIAGJWXQO-MRXNPFEDSA-N 0 3 284.363 2.144 20 30 CEEDHN COC[C@H](NCc1cc(C#N)ccc1F)[C@@H]1CCCOC1 ZINC000883204954 652399834 /nfs/dbraw/zinc/39/98/34/652399834.db2.gz LTPUXTVIAJMGIZ-CJNGLKHVSA-N 0 3 292.354 2.229 20 30 CEEDHN C=C/C=C/CCNC(=O)NC1CCN(CC=C)CC1 ZINC000883343162 652437076 /nfs/dbraw/zinc/43/70/76/652437076.db2.gz BPOOQCPAEJBWDA-AATRIKPKSA-N 0 3 263.385 2.068 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cnc(C2CC2)s1 ZINC000883400177 652456806 /nfs/dbraw/zinc/45/68/06/652456806.db2.gz GHUCHCVYIJRYOZ-NSHDSACASA-N 0 3 252.383 2.437 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cc(OC)ccc1OC ZINC000883401688 652457268 /nfs/dbraw/zinc/45/72/68/652457268.db2.gz UWQUUWFXGWDQER-ZDUSSCGKSA-N 0 3 265.353 2.121 20 30 CEEDHN C=C(Br)CN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000132742146 652551807 /nfs/dbraw/zinc/55/18/07/652551807.db2.gz OEWFEZMIADIDEV-DCAQKATOSA-N 0 3 272.186 2.442 20 30 CEEDHN C[C@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccccc1 ZINC000884043960 652654069 /nfs/dbraw/zinc/65/40/69/652654069.db2.gz PRTYLPQLNQLKKN-BUTPEJBISA-N 0 3 283.375 2.003 20 30 CEEDHN CCCCC[C@H](C)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884047453 652658546 /nfs/dbraw/zinc/65/85/46/652658546.db2.gz VAGACOWKXMBVSW-PGOFDVKTSA-N 0 3 277.412 2.211 20 30 CEEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc3c(c1)CCC3)C2 ZINC000884049873 652662227 /nfs/dbraw/zinc/66/22/27/652662227.db2.gz IGBBKSKXSZNXRZ-CSLYMUCUSA-N 0 3 295.386 2.253 20 30 CEEDHN C[C@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)C1CCCCC1 ZINC000884068424 652693981 /nfs/dbraw/zinc/69/39/81/652693981.db2.gz PLMBKZBCSXQLPN-IDSHBHDBSA-N 0 3 289.423 2.211 20 30 CEEDHN Cc1cc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)ccc1F ZINC000884069203 652694053 /nfs/dbraw/zinc/69/40/53/652694053.db2.gz UXNROXQIBIVJIW-BGMSHATGSA-N 0 3 287.338 2.212 20 30 CEEDHN Cc1cccc(N(C)C(=O)C2CC3(C2)CNC[C@H]3C#N)c1 ZINC000884070079 652695082 /nfs/dbraw/zinc/69/50/82/652695082.db2.gz YDEVAAAEWZLNAW-XOYHFGRZSA-N 0 3 283.375 2.097 20 30 CEEDHN Cc1ccc(CNC(=O)C2CC3(C2)CNC[C@H]3C#N)c(C)c1 ZINC000884074787 652695973 /nfs/dbraw/zinc/69/59/73/652695973.db2.gz BDUVWSRACYEHGE-UPTPFMHGSA-N 0 3 297.402 2.059 20 30 CEEDHN Cc1c(F)cccc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884071546 652696088 /nfs/dbraw/zinc/69/60/88/652696088.db2.gz XXKBNLBKUWFSLH-BGMSHATGSA-N 0 3 287.338 2.212 20 30 CEEDHN Cc1ccc(N(C)C(=O)C2CC3(C2)CNC[C@H]3C#N)cc1C ZINC000884097932 652707626 /nfs/dbraw/zinc/70/76/26/652707626.db2.gz VBZPRUNBSJXIFW-SWKXRBFHSA-N 0 3 297.402 2.406 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2c(C)onc2CC)CC1 ZINC001006392691 653058525 /nfs/dbraw/zinc/05/85/25/653058525.db2.gz JJGPKOOTDUUMSH-UHFFFAOYSA-N 0 3 291.395 2.268 20 30 CEEDHN CCN(CC)c1ccc(/C=[NH+]/CCC(=O)OC)c([O-])c1 ZINC000126779696 805613133 /nfs/dbraw/zinc/61/31/33/805613133.db2.gz KZUVJRISJYBNPQ-LFIBNONCSA-N 0 3 278.352 2.220 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)CC2CCC2)[C@H]1CC ZINC001087530772 805682132 /nfs/dbraw/zinc/68/21/32/805682132.db2.gz RKLCUAPJJWPDDA-LSDHHAIUSA-N 0 3 262.397 2.169 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc(CC)ccn2)[C@H]1CC ZINC001087583453 805756230 /nfs/dbraw/zinc/75/62/30/805756230.db2.gz IKVJZYSGBNUYSN-GOEBONIOSA-N 0 3 287.407 2.413 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccn(C)c2C)[C@H]1CC ZINC001087716339 805779504 /nfs/dbraw/zinc/77/95/04/805779504.db2.gz GNAVNAPLILFURY-LSDHHAIUSA-N 0 3 275.396 2.102 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@@H](CC)OC ZINC001029421670 805799257 /nfs/dbraw/zinc/79/92/57/805799257.db2.gz HYXUFDLGRHOWDV-QLFBSQMISA-N 0 3 294.439 2.299 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cnco2)C1 ZINC001088356373 806149388 /nfs/dbraw/zinc/14/93/88/806149388.db2.gz YAXYQQQNNJBNLZ-GFCCVEGCSA-N 0 3 297.786 2.402 20 30 CEEDHN CC/C(C)=C\C(=O)NCCNCc1ccc(C#N)s1 ZINC001126753411 806523317 /nfs/dbraw/zinc/52/33/17/806523317.db2.gz ZFOUEXOXIMESIA-FLIBITNWSA-N 0 3 277.393 2.182 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(F)c(C)c1 ZINC001272097487 806536343 /nfs/dbraw/zinc/53/63/43/806536343.db2.gz BJJFZGYYSRZWKH-UHFFFAOYSA-N 0 3 276.355 2.161 20 30 CEEDHN CC(C)C#CC(=O)NCCNCc1cc2ccccc2o1 ZINC001126827838 806707179 /nfs/dbraw/zinc/70/71/79/806707179.db2.gz CUVHFOQFYHHJTR-UHFFFAOYSA-N 0 3 284.359 2.298 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2Cc3ccccc32)[C@H]1C ZINC001088829085 806791035 /nfs/dbraw/zinc/79/10/35/806791035.db2.gz COADMZDXGAKDAK-WQVCFCJDSA-N 0 3 270.376 2.091 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccnc(C)c3)[C@@H]2C1 ZINC001076381481 806844291 /nfs/dbraw/zinc/84/42/91/806844291.db2.gz GANFQWNLEDMJIB-JKSUJKDBSA-N 0 3 285.391 2.112 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1nc(C)n2ccccc12 ZINC001038511801 806910114 /nfs/dbraw/zinc/91/01/14/806910114.db2.gz RJGLCVRPABBISE-CQSZACIVSA-N 0 3 298.390 2.023 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCC)C2)CCOCC1 ZINC001266249468 802318067 /nfs/dbraw/zinc/31/80/67/802318067.db2.gz ZDCQHYKCTAGYOI-HNNXBMFYSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CCN(C)CCNC(=O)c1sccc1Cl ZINC001266277195 802350606 /nfs/dbraw/zinc/35/06/06/802350606.db2.gz RKRJTQWWTVRMJJ-UHFFFAOYSA-N 0 3 258.774 2.249 20 30 CEEDHN C=CCN(C)CCNC(=O)C(C)(C)CC(F)(F)F ZINC001266344904 802468078 /nfs/dbraw/zinc/46/80/78/802468078.db2.gz QAZFIUPMEJLHOB-UHFFFAOYSA-N 0 3 266.307 2.199 20 30 CEEDHN C#CCCN(C)CCNC(=O)CCc1c[nH]c2ccccc12 ZINC001266357423 802484404 /nfs/dbraw/zinc/48/44/04/802484404.db2.gz XQVICSBMXJVVET-UHFFFAOYSA-N 0 3 297.402 2.172 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc3[nH]cnc32)C1 ZINC001034453065 809611956 /nfs/dbraw/zinc/61/19/56/809611956.db2.gz JOOUYFWECZBIAF-ZDUSSCGKSA-N 0 3 298.390 2.333 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OCC ZINC001266478969 802623403 /nfs/dbraw/zinc/62/34/03/802623403.db2.gz YCNFRJVMDZESHG-SOUVJXGZSA-N 0 3 280.412 2.053 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCC(C)(C)C3)C2)C1 ZINC001041638031 802631671 /nfs/dbraw/zinc/63/16/71/802631671.db2.gz HDHJQSLSJWXYGQ-CRAIPNDOSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001266549612 802704472 /nfs/dbraw/zinc/70/44/72/802704472.db2.gz YZLSEXYMYLKTKG-CVEARBPZSA-N 0 3 284.403 2.252 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001266559974 802717058 /nfs/dbraw/zinc/71/70/58/802717058.db2.gz VTLZTKQKULGYNY-KBPBESRZSA-N 0 3 264.413 2.273 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)c1occ2c1CCC2 ZINC001266566964 802722515 /nfs/dbraw/zinc/72/25/15/802722515.db2.gz QQKNWBBZOQWRGS-UHFFFAOYSA-N 0 3 288.391 2.233 20 30 CEEDHN CC#CCN[C@H]1CCN(C(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001266569872 802725705 /nfs/dbraw/zinc/72/57/05/802725705.db2.gz PAHDRNSWENZLDE-NNGSBXSVSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCN(CCNC(=O)C[C@@H]1CCC(C)(C)CO1)C1CC1 ZINC001266602570 802759178 /nfs/dbraw/zinc/75/91/78/802759178.db2.gz KNWPYWDKWQOTBM-HNNXBMFYSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cocc2C)C1 ZINC001021649882 802775255 /nfs/dbraw/zinc/77/52/55/802775255.db2.gz UUQULJYQMQDNTB-HOCLYGCPSA-N 0 3 286.375 2.148 20 30 CEEDHN C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001039335013 802824466 /nfs/dbraw/zinc/82/44/66/802824466.db2.gz NOWKTOMSODMOIC-CABCVRRESA-N 0 3 298.386 2.094 20 30 CEEDHN C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001039335013 802824469 /nfs/dbraw/zinc/82/44/69/802824469.db2.gz NOWKTOMSODMOIC-CABCVRRESA-N 0 3 298.386 2.094 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001266752736 802879554 /nfs/dbraw/zinc/87/95/54/802879554.db2.gz WARBMWIOPSIXHO-KBPBESRZSA-N 0 3 298.377 2.273 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnccc1C ZINC001038138439 802939170 /nfs/dbraw/zinc/93/91/70/802939170.db2.gz UHMWZVFAWJNZBU-AWEZNQCLSA-N 0 3 273.380 2.160 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C/C=C(\C)C=C)C1 ZINC001266896063 802976133 /nfs/dbraw/zinc/97/61/33/802976133.db2.gz WPFQKUQTZOKFET-MMJTVPDGSA-N 0 3 274.408 2.359 20 30 CEEDHN C=CCCC(=O)NC[C@H](C)NCc1scnc1C ZINC001266924882 803000885 /nfs/dbraw/zinc/00/08/85/803000885.db2.gz JMIJIHLPAGCBQU-JTQLQIEISA-N 0 3 267.398 2.012 20 30 CEEDHN C[C@@H](CNC(=O)C#CC(C)(C)C)NCc1cccc(F)c1 ZINC001266937967 803011121 /nfs/dbraw/zinc/01/11/21/803011121.db2.gz RCVUTWIZDGGYGK-ZDUSSCGKSA-N 0 3 290.382 2.470 20 30 CEEDHN C=CCCCC(=O)NC[C@@H](C)NCc1cc(C)ns1 ZINC001266968856 803029717 /nfs/dbraw/zinc/02/97/17/803029717.db2.gz ZNZYVQHCADIHSQ-GFCCVEGCSA-N 0 3 281.425 2.402 20 30 CEEDHN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(C)ncn1 ZINC001133884336 813168811 /nfs/dbraw/zinc/16/88/11/813168811.db2.gz NWTWFRYQJMMWJU-JSGCOSHPSA-N 0 3 290.411 2.124 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1ccnn1[C@H](C)CC ZINC001267196836 803220773 /nfs/dbraw/zinc/22/07/73/803220773.db2.gz BVRTUDHYLHMELU-CYBMUJFWSA-N 0 3 278.400 2.092 20 30 CEEDHN C=CCN(C)CCNC(=O)c1sc(C)nc1CC(C)C ZINC001267205780 803230187 /nfs/dbraw/zinc/23/01/87/803230187.db2.gz ZDBWZXOCIZQQEN-UHFFFAOYSA-N 0 3 295.452 2.498 20 30 CEEDHN C#CCCN(C)CCNC(=O)C1(c2ccccc2C)CC1 ZINC001267233697 803263829 /nfs/dbraw/zinc/26/38/29/803263829.db2.gz SENNOGGCGRMRJG-UHFFFAOYSA-N 0 3 284.403 2.098 20 30 CEEDHN C=CCN(CC)CCNC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001267252247 803294822 /nfs/dbraw/zinc/29/48/22/803294822.db2.gz IAGNOPHDBCKLEW-GVDBMIGSSA-N 0 3 284.403 2.196 20 30 CEEDHN C=CCN(CC)CCNC(=O)[C@H]1C[C@]1(C)C(C)C ZINC001267253527 803296077 /nfs/dbraw/zinc/29/60/77/803296077.db2.gz NTSHAWLFRXCMIH-UKRRQHHQSA-N 0 3 252.402 2.293 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@@](C)(C=C)CC ZINC001267274289 803321016 /nfs/dbraw/zinc/32/10/16/803321016.db2.gz NLWXDMJBQUAMMQ-ZBFHGGJFSA-N 0 3 262.397 2.193 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccc(C)o1 ZINC001267278895 803324057 /nfs/dbraw/zinc/32/40/57/803324057.db2.gz STTCYYUWJZNUOB-UONOGXRCSA-N 0 3 276.380 2.458 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)CC2(c3ccccc3)CC2)C1 ZINC001267294212 803338560 /nfs/dbraw/zinc/33/85/60/803338560.db2.gz FCKXWJPMFWWWMV-MRXNPFEDSA-N 0 3 296.414 2.180 20 30 CEEDHN CC#CCCCC(=O)NC[C@H]1CCN(C[C@H](F)CC)C1 ZINC001267300998 803344809 /nfs/dbraw/zinc/34/48/09/803344809.db2.gz WJNBFMRLHYRFDR-HUUCEWRRSA-N 0 3 282.403 2.366 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001267310554 803354832 /nfs/dbraw/zinc/35/48/32/803354832.db2.gz XXGQHOHCZHLABB-KGLIPLIRSA-N 0 3 288.366 2.001 20 30 CEEDHN C#CCCCC(=O)N(C)CCNCc1ccc(C)c(F)c1 ZINC001267367322 803414554 /nfs/dbraw/zinc/41/45/54/803414554.db2.gz SVSCXJUKSGKHRN-UHFFFAOYSA-N 0 3 290.382 2.486 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccnn1C(C)C ZINC001038289094 803423145 /nfs/dbraw/zinc/42/31/45/803423145.db2.gz CGBWTUCWMJVFMC-CQSZACIVSA-N 0 3 290.411 2.234 20 30 CEEDHN C=CCN1CCC2(CC1)CN(C(=O)/C(C)=C\C)C[C@H](C)O2 ZINC001098582829 803453223 /nfs/dbraw/zinc/45/32/23/803453223.db2.gz CBANDOGZBBCEJY-XXUROBRHSA-N 0 3 292.423 2.221 20 30 CEEDHN C#CCNCCN(C)C(=O)c1ccccc1C1(C)CC1 ZINC001267426809 803464230 /nfs/dbraw/zinc/46/42/30/803464230.db2.gz ATQBZZCVCLQCSF-UHFFFAOYSA-N 0 3 270.376 2.033 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C[C@H](C)OC)C1 ZINC001267449731 803470354 /nfs/dbraw/zinc/47/03/54/803470354.db2.gz FFIOPKDKTGAYQV-GJZGRUSLSA-N 0 3 282.428 2.300 20 30 CEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)C3CCCC3)C(C)(C)[C@H]21 ZINC001087268782 803490028 /nfs/dbraw/zinc/49/00/28/803490028.db2.gz WTMZFMKUDLMOJL-PMPSAXMXSA-N 0 3 288.435 2.415 20 30 CEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccco1 ZINC001087269641 803491987 /nfs/dbraw/zinc/49/19/87/803491987.db2.gz MRMBVOVIQHSTKC-VHDGCEQUSA-N 0 3 286.375 2.132 20 30 CEEDHN CC#CCNCCN(C)C(=O)C(C)(C)c1ccccc1 ZINC001267466185 803493457 /nfs/dbraw/zinc/49/34/57/803493457.db2.gz LLRANBDQUHZPFU-UHFFFAOYSA-N 0 3 272.392 2.036 20 30 CEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccc[nH]3)C(C)(C)[C@@H]21 ZINC001087272236 803495023 /nfs/dbraw/zinc/49/50/23/803495023.db2.gz 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/nfs/dbraw/zinc/56/54/45/803565445.db2.gz WRNQAWVIKLTYBG-UHFFFAOYSA-N 0 3 263.304 2.059 20 30 CEEDHN N#Cc1cc([N+](=O)[O-])ccc1-n1nc(CN)c2ccccc21 ZINC001167698421 803573299 /nfs/dbraw/zinc/57/32/99/803573299.db2.gz WHGZJSXGRKDTOY-UHFFFAOYSA-N 0 3 293.286 2.264 20 30 CEEDHN CC(C)C#CC(=O)NCC1CN(C[C@@H]2CCC(F)(F)C2)C1 ZINC001267680258 803655122 /nfs/dbraw/zinc/65/51/22/803655122.db2.gz HOJACUYXQKFBGF-CYBMUJFWSA-N 0 3 298.377 2.129 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CC=CCC3)[C@@H]2C1 ZINC001075538513 803662363 /nfs/dbraw/zinc/66/23/63/803662363.db2.gz XDKBHHANPHRYKF-QLFBSQMISA-N 0 3 260.381 2.061 20 30 CEEDHN C#CCCN[C@@H]1CN(C(=O)[C@@H](C)CC)C[C@H]1C(F)(F)F ZINC001112048943 803690020 /nfs/dbraw/zinc/69/00/20/803690020.db2.gz RZIXCZUKUOLEEW-QJPTWQEYSA-N 0 3 290.329 2.035 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)CC2(C(F)(F)F)CC2)C1 ZINC001267744813 803699796 /nfs/dbraw/zinc/69/97/96/803699796.db2.gz ZVOKCAKBPNIEPZ-LLVKDONJSA-N 0 3 290.329 2.486 20 30 CEEDHN 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C#CC[C@@H](COC)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000716818743 815151378 /nfs/dbraw/zinc/15/13/78/815151378.db2.gz KLFTWUSYYUOURX-LBPRGKRZSA-N 0 3 283.755 2.182 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)[C@H](C)CCCC)[C@H](OC)C1 ZINC001212211319 807862558 /nfs/dbraw/zinc/86/25/58/807862558.db2.gz OYWILYGYYJOVSS-RBSFLKMASA-N 0 3 282.428 2.204 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2CC2(C)C)CC(C)(C)C1 ZINC001089361907 807900446 /nfs/dbraw/zinc/90/04/46/807900446.db2.gz ADTGPAVJVPSNNG-KBPBESRZSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CC2(C)C)CC(C)(C)C1 ZINC001089361913 807900532 /nfs/dbraw/zinc/90/05/32/807900532.db2.gz ADTGPAVJVPSNNG-ZIAGYGMSSA-N 0 3 276.424 2.273 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCN2CC2CCC2)cc1 ZINC001038581583 807960875 /nfs/dbraw/zinc/96/08/75/807960875.db2.gz LDAWMUFXHJLYJU-KRWDZBQOSA-N 0 3 282.387 2.272 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)CC(C)(C)C1 ZINC001089439589 807976868 /nfs/dbraw/zinc/97/68/68/807976868.db2.gz GTJMBGHMFKUKAO-IIDMSEBBSA-N 0 3 288.435 2.417 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)CCn1ccc2ccccc21 ZINC000130656230 808011682 /nfs/dbraw/zinc/01/16/82/808011682.db2.gz BGQNRCCRLVIGQC-AWEZNQCLSA-N 0 3 297.358 2.265 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001089683250 808096029 /nfs/dbraw/zinc/09/60/29/808096029.db2.gz PJCUIWLXXZYTGK-MJBXVCDLSA-N 0 3 264.413 2.435 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2nc(Cl)cs2)C1 ZINC001031922700 808203068 /nfs/dbraw/zinc/20/30/68/808203068.db2.gz IKWODSQWKDOKMO-UHFFFAOYSA-N 0 3 285.800 2.034 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CC ZINC001032286409 808389661 /nfs/dbraw/zinc/38/96/61/808389661.db2.gz CYXPFNGYOOLGHF-RDBSUJKOSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(CC)CC ZINC001032289308 808391810 /nfs/dbraw/zinc/39/18/10/808391810.db2.gz WPGZZBWWJDBCIE-KBPBESRZSA-N 0 3 250.386 2.284 20 30 CEEDHN C#CCCCCC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000690291736 808409402 /nfs/dbraw/zinc/40/94/02/808409402.db2.gz GUPWWBQEJUSFHG-ZDUSSCGKSA-N 0 3 250.386 2.169 20 30 CEEDHN CCCCCCCCOC(=O)N1CCOC2(CNC2)C1 ZINC001239328606 808577205 /nfs/dbraw/zinc/57/72/05/808577205.db2.gz JPDCYYRBCMKRSO-UHFFFAOYSA-N 0 3 284.400 2.158 20 30 CEEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1cc(C)ccn1)CC2 ZINC001272784627 808664753 /nfs/dbraw/zinc/66/47/53/808664753.db2.gz WPENOCXGIOJQHZ-INIZCTEOSA-N 0 3 299.418 2.294 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1cncc(C)c1 ZINC001032511923 808669300 /nfs/dbraw/zinc/66/93/00/808669300.db2.gz HGPRUWUKQUVIMZ-IRXDYDNUSA-N 0 3 299.418 2.184 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)c1CC ZINC001032627206 808741984 /nfs/dbraw/zinc/74/19/84/808741984.db2.gz RVYKIUIHTLYAHN-KBPBESRZSA-N 0 3 287.407 2.062 20 30 CEEDHN C#Cc1ccccc1CC(=O)N1C[C@@H]2C[C@H]1CN2CC(C)C ZINC001032753770 808832159 /nfs/dbraw/zinc/83/21/59/808832159.db2.gz LUBRJUQSTXUYGX-ROUUACIJSA-N 0 3 296.414 2.152 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)CCC2CCCC2)[C@@H](O)C1 ZINC001099644035 808954059 /nfs/dbraw/zinc/95/40/59/808954059.db2.gz DGQJWBRDCJBNGY-HOTGVXAUSA-N 0 3 294.439 2.084 20 30 CEEDHN C=C(Cl)C(C)(C)C(=O)NCCNC[C@@H](F)CC ZINC001128189889 808990470 /nfs/dbraw/zinc/99/04/70/808990470.db2.gz FIRCVAMDHGSAHS-JTQLQIEISA-N 0 3 264.772 2.219 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@H]2CCCCO2)C1 ZINC001032991865 809140855 /nfs/dbraw/zinc/14/08/55/809140855.db2.gz HVAMKSYLYCMAQX-HUUCEWRRSA-N 0 3 280.412 2.054 20 30 CEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2onc(C)c2C)C1 ZINC001033179628 809211550 /nfs/dbraw/zinc/21/15/50/809211550.db2.gz YFAKBGLDUXTFCE-ZDUSSCGKSA-N 0 3 277.368 2.014 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2cccc(CC)c2)C1 ZINC001033210904 809236114 /nfs/dbraw/zinc/23/61/14/809236114.db2.gz XXQRRZYIQLCCJX-GOSISDBHSA-N 0 3 298.430 2.348 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cnc3ccccn23)C1 ZINC001033208622 809237169 /nfs/dbraw/zinc/23/71/69/809237169.db2.gz SWYYJIOWDKQGTG-CQSZACIVSA-N 0 3 298.390 2.057 20 30 CEEDHN CC[C@@H](C)c1ccccc1OCC(=O)C(C#N)C(=O)NC ZINC000133467134 809251486 /nfs/dbraw/zinc/25/14/86/809251486.db2.gz JMNDFWABRJGOLM-YPMHNXCESA-N 0 3 288.347 2.034 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccn3ccnc3c2)C1 ZINC001033264023 809251928 /nfs/dbraw/zinc/25/19/28/809251928.db2.gz QNLVZOOERDVUQF-OAHLLOKOSA-N 0 3 298.390 2.057 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001033394964 809288898 /nfs/dbraw/zinc/28/88/98/809288898.db2.gz CMAAKLULYRMOPR-ZOBUZTSGSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccsc2)C1 ZINC001033409839 809292931 /nfs/dbraw/zinc/29/29/31/809292931.db2.gz MFXCPRUHHPFSEW-DZGCQCFKSA-N 0 3 290.432 2.408 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2occc2C)C1 ZINC001033404873 809298950 /nfs/dbraw/zinc/29/89/50/809298950.db2.gz HYOBCXOHIPLNHI-CQSZACIVSA-N 0 3 276.380 2.239 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CC23CCC3)C1 ZINC001033462597 809310554 /nfs/dbraw/zinc/31/05/54/809310554.db2.gz XYEVLHUKOMVNBI-KGLIPLIRSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2ncoc2C2CC2)C1 ZINC001033556842 809339792 /nfs/dbraw/zinc/33/97/92/809339792.db2.gz FHDXLYGSSLYCCV-CYBMUJFWSA-N 0 3 289.379 2.274 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C2CCCC2)C1 ZINC001033728515 809395707 /nfs/dbraw/zinc/39/57/07/809395707.db2.gz TWYUZPBFUQRSQF-OAHLLOKOSA-N 0 3 262.397 2.123 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(F)nc2)C1 ZINC001033774431 809409461 /nfs/dbraw/zinc/40/94/61/809409461.db2.gz JLKQSDMCJSQUOJ-AWEZNQCLSA-N 0 3 291.370 2.333 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc[nH]c2C)C1 ZINC001033797877 809420732 /nfs/dbraw/zinc/42/07/32/809420732.db2.gz HNCCYOLFSSHSIP-AWEZNQCLSA-N 0 3 275.396 2.436 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CCC2(C)C)C1 ZINC001033925109 809451367 /nfs/dbraw/zinc/45/13/67/809451367.db2.gz IFFPNKZTYWSVGI-LSDHHAIUSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc[nH]c2C2CC2)C1 ZINC001033934463 809456697 /nfs/dbraw/zinc/45/66/97/809456697.db2.gz UJAYJNMYMCSKNX-HNNXBMFYSA-N 0 3 299.418 2.452 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033949216 809460125 /nfs/dbraw/zinc/46/01/25/809460125.db2.gz FDWFUMUVUJYMJT-OWCLPIDISA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccn2CC)C1 ZINC001034044618 809486719 /nfs/dbraw/zinc/48/67/19/809486719.db2.gz LMEXWVKAGIUCHT-OAHLLOKOSA-N 0 3 287.407 2.068 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2cccs2)C1 ZINC001034074846 809501492 /nfs/dbraw/zinc/50/14/92/809501492.db2.gz ZVXQQJUPDLODFV-CYBMUJFWSA-N 0 3 278.421 2.447 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H](O)C1 ZINC001090187468 809507250 /nfs/dbraw/zinc/50/72/50/809507250.db2.gz XDZFOLWJUXCIIK-JKSUJKDBSA-N 0 3 292.423 2.004 20 30 CEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cncc(CC)c2)C1 ZINC001034310219 809575401 /nfs/dbraw/zinc/57/54/01/809575401.db2.gz UQFMLXLAHQMQDL-QGZVFWFLSA-N 0 3 299.418 2.252 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2nocc2C)C1 ZINC001034477153 809614270 /nfs/dbraw/zinc/61/42/70/809614270.db2.gz MANKXDNVXURGGI-ZDUSSCGKSA-N 0 3 277.368 2.143 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(CC)on2)C1 ZINC001034492756 809616688 /nfs/dbraw/zinc/61/66/88/809616688.db2.gz CFOAEEBREIPTQT-CYBMUJFWSA-N 0 3 291.395 2.397 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2CCCC[C@H]2OC)CC1 ZINC001045651686 809761405 /nfs/dbraw/zinc/76/14/05/809761405.db2.gz VHOCCOMGAGSORL-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1CCC2(CN(CCOC)C2)CC1 ZINC001035785779 809814191 /nfs/dbraw/zinc/81/41/91/809814191.db2.gz YRGBIWFICGUKMD-INIZCTEOSA-N 0 3 294.439 2.160 20 30 CEEDHN CCC(=O)N1CC[C@H](NCc2ccccc2C#N)[C@@H](C)C1 ZINC001035872095 809828986 /nfs/dbraw/zinc/82/89/86/809828986.db2.gz CTQVCZNAAWOSPN-BBRMVZONSA-N 0 3 285.391 2.295 20 30 CEEDHN C=CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001035929020 809838187 /nfs/dbraw/zinc/83/81/87/809838187.db2.gz MRRCNIHRPXOXRA-TZMCWYRMSA-N 0 3 274.364 2.018 20 30 CEEDHN N#Cc1ccc(CN2C[C@@H]3CSC[C@@H]3C2)cc1F ZINC000711565074 810083371 /nfs/dbraw/zinc/08/33/71/810083371.db2.gz HMGHLAMODYHHQL-BETUJISGSA-N 0 3 262.353 2.492 20 30 CEEDHN C=CCn1c(C(F)F)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001121601219 815346600 /nfs/dbraw/zinc/34/66/00/815346600.db2.gz YBQFWUCQSPDWNE-MNOVXSKESA-N 0 3 299.369 2.321 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001079530373 810215843 /nfs/dbraw/zinc/21/58/43/810215843.db2.gz HZOMUXWODWTVMW-QMIVOQANSA-N 0 3 262.397 2.045 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001080178384 810253698 /nfs/dbraw/zinc/25/36/98/810253698.db2.gz GGZOQZUFTRZJBV-LYYZXLFJSA-N 0 3 276.424 2.435 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC001015138597 810262470 /nfs/dbraw/zinc/26/24/70/810262470.db2.gz ZWXWZJGTSOEERU-CQSZACIVSA-N 0 3 295.386 2.006 20 30 CEEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001080328474 810269414 /nfs/dbraw/zinc/26/94/14/810269414.db2.gz OBKQUZCDEBWLLY-NXEZZACHSA-N 0 3 299.827 2.423 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC001080350468 810273178 /nfs/dbraw/zinc/27/31/78/810273178.db2.gz LUBKIBYYYBDPCK-IAQYHMDHSA-N 0 3 294.345 2.130 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001015305672 810277082 /nfs/dbraw/zinc/27/70/82/810277082.db2.gz IFGUXPWBKJLSEQ-OAHLLOKOSA-N 0 3 274.408 2.171 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC001080522085 810289331 /nfs/dbraw/zinc/28/93/31/810289331.db2.gz ZQBDTQHORYLSPE-IAQYHMDHSA-N 0 3 275.396 2.258 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccncc2Cl)C1 ZINC001080500002 810291230 /nfs/dbraw/zinc/29/12/30/810291230.db2.gz ZXUZHDDCFWYQIV-BXUZGUMPSA-N 0 3 293.798 2.361 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001015594456 810310228 /nfs/dbraw/zinc/31/02/28/810310228.db2.gz VKASYAGMTLYDIG-JKSUJKDBSA-N 0 3 299.418 2.268 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2c(F)ccc(F)c2F)C1 ZINC001015635064 810321683 /nfs/dbraw/zinc/32/16/83/810321683.db2.gz UERBCXSSHPEOJX-SNVBAGLBSA-N 0 3 298.308 2.484 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001015670028 810329671 /nfs/dbraw/zinc/32/96/71/810329671.db2.gz IFCHCZFJCRIJET-HZSPNIEDSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(C[C@@H]3CCCCO3)C2)C1 ZINC001015676710 810330948 /nfs/dbraw/zinc/33/09/48/810330948.db2.gz OICIFOVTVLYNQZ-GJZGRUSLSA-N 0 3 292.423 2.102 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](C)C(C)C)C[C@H]1c1ccccc1 ZINC001081190632 810333602 /nfs/dbraw/zinc/33/36/02/810333602.db2.gz MFZGKNPIFMMINN-RYQLBKOJSA-N 0 3 298.430 2.496 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CC=CCC2)[C@H](OC)C1 ZINC001081350962 810338483 /nfs/dbraw/zinc/33/84/83/810338483.db2.gz ZGORICNJOZAOTJ-ARFHVFGLSA-N 0 3 292.423 2.124 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)C[C@@H]2C=CCCC2)[C@H](OC)C1 ZINC001081847097 810351374 /nfs/dbraw/zinc/35/13/74/810351374.db2.gz TZRZIZYCCPWHMQ-BZUAXINKSA-N 0 3 292.423 2.124 20 30 CEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)COCC ZINC001098881257 810389745 /nfs/dbraw/zinc/38/97/45/810389745.db2.gz XPNHWGJBGRFSHL-AWEZNQCLSA-N 0 3 282.428 2.206 20 30 CEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)CC3(C)CC3)[C@H]2C1 ZINC001083146739 810423541 /nfs/dbraw/zinc/42/35/41/810423541.db2.gz BAGKCTQSSXTXSL-LSDHHAIUSA-N 0 3 292.423 2.054 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cncc3ccccc32)C1 ZINC001016328236 810424192 /nfs/dbraw/zinc/42/41/92/810424192.db2.gz BEYHFCDIEHNZEQ-HNNXBMFYSA-N 0 3 293.370 2.062 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001016367217 810429059 /nfs/dbraw/zinc/42/90/59/810429059.db2.gz BDOIZJZRAPMECI-GJZGRUSLSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C(C)=C3CCCC3)[C@@H]2C1 ZINC001084270585 810458110 /nfs/dbraw/zinc/45/81/10/810458110.db2.gz MCAJANNVDYJRAW-IAGOWNOFSA-N 0 3 286.419 2.433 20 30 CEEDHN CC(C)(NC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1F ZINC001119387394 810461136 /nfs/dbraw/zinc/46/11/36/810461136.db2.gz ORWKJQMFZRDCHX-ZDUSSCGKSA-N 0 3 295.333 2.337 20 30 CEEDHN CN1CCC[C@@H]2CN(C(=O)Nc3cccc(C#N)c3)C[C@@H]21 ZINC001202786875 810461214 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ZINC001119524295 810502102 /nfs/dbraw/zinc/50/21/02/810502102.db2.gz JNTMOICEXGJLLG-WFASDCNBSA-N 0 3 262.397 2.332 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C(C)(C)C(C)(F)F)[C@@H]2C1 ZINC001084800248 810522218 /nfs/dbraw/zinc/52/22/18/810522218.db2.gz ZSYLJSWOCRAZNS-CHWSQXEVSA-N 0 3 298.377 2.224 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccnc1 ZINC001017477428 810525267 /nfs/dbraw/zinc/52/52/67/810525267.db2.gz FOQXFZNSHREXNZ-CALCHBBNSA-N 0 3 299.418 2.266 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCCO1 ZINC001098926885 810540451 /nfs/dbraw/zinc/54/04/51/810540451.db2.gz GDCDCQNZEPSXHE-GJZGRUSLSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[C@@H](C)O1 ZINC001017888220 810566540 /nfs/dbraw/zinc/56/65/40/810566540.db2.gz JGSBOSIZINJYBU-LVQVYYBASA-N 0 3 292.423 2.195 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)OCC ZINC001231025133 810576107 /nfs/dbraw/zinc/57/61/07/810576107.db2.gz HWTLJIGATWBOQW-LSDHHAIUSA-N 0 3 282.428 2.300 20 30 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C#CCCN1CC[C@](C)(NC(=O)C2CCC(F)CC2)C1 ZINC001046595805 811781873 /nfs/dbraw/zinc/78/18/73/811781873.db2.gz ADRMDDIFDUFWSI-XUJLQICISA-N 0 3 280.387 2.119 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001046604699 811783110 /nfs/dbraw/zinc/78/31/10/811783110.db2.gz MQJMXLNKJNQKSZ-RHSMWYFYSA-N 0 3 276.424 2.417 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001046644993 811791724 /nfs/dbraw/zinc/79/17/24/811791724.db2.gz SAKSONCQPYXEMP-INIZCTEOSA-N 0 3 288.395 2.057 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)C2CCC(F)(F)CC2)C1 ZINC001046652470 811793507 /nfs/dbraw/zinc/79/35/07/811793507.db2.gz LFTRDSHFWQYZGA-OAHLLOKOSA-N 0 3 298.377 2.416 20 30 CEEDHN COC(=O)[C@H]1CCC[C@@H](NCC2(C#N)CCCC2)C1 ZINC001172585889 815477117 /nfs/dbraw/zinc/47/71/17/815477117.db2.gz IDOKZPXVVKGBPL-QWHCGFSZSA-N 0 3 264.369 2.392 20 30 CEEDHN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCCC ZINC001109043256 811813990 /nfs/dbraw/zinc/81/39/90/811813990.db2.gz OQHCBUNTAGYIFE-PMPSAXMXSA-N 0 3 294.439 2.491 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cn3ccccc3n2)C1 ZINC001046820705 811824531 /nfs/dbraw/zinc/82/45/31/811824531.db2.gz MLQSRCOAGWSWFK-KRWDZBQOSA-N 0 3 298.390 2.105 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2cccc3c2CCC3)C1 ZINC001046868649 811832184 /nfs/dbraw/zinc/83/21/84/811832184.db2.gz YDPXYNWRETUHOK-IBGZPJMESA-N 0 3 296.414 2.393 20 30 CEEDHN CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC#Cc1ccccc1)C2 ZINC001046998280 811847404 /nfs/dbraw/zinc/84/74/04/811847404.db2.gz JKYAPUGRHZJGJU-KSZLIROESA-N 0 3 282.387 2.027 20 30 CEEDHN C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](C)OC ZINC001109351121 811863278 /nfs/dbraw/zinc/86/32/78/811863278.db2.gz OHABHCKSKZVYFP-KBXIAJHMSA-N 0 3 280.412 2.099 20 30 CEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)CC3CC3)C2)CC1 ZINC001047216115 811869551 /nfs/dbraw/zinc/86/95/51/811869551.db2.gz PAUFXNUYGLOWMH-KRWDZBQOSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C)C2)CC1 ZINC001047251926 811873429 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C=C(C)CCC(=O)N1CCN(C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001112901925 812105811 /nfs/dbraw/zinc/10/58/11/812105811.db2.gz BFOKTUGJVZSWBY-JKSUJKDBSA-N 0 3 294.439 2.302 20 30 CEEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CCCC1 ZINC001049305004 812112893 /nfs/dbraw/zinc/11/28/93/812112893.db2.gz UTPQCWRHLJIYCX-JKSUJKDBSA-N 0 3 274.408 2.265 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccoc1 ZINC001049318107 812115195 /nfs/dbraw/zinc/11/51/95/812115195.db2.gz IYPPHYDMNJHHEZ-ZIAGYGMSSA-N 0 3 260.337 2.145 20 30 CEEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC(F)(F)F ZINC001049360979 812129536 /nfs/dbraw/zinc/12/95/36/812129536.db2.gz PTDAZEKPRLRSQB-RYUDHWBXSA-N 0 3 288.313 2.027 20 30 CEEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ocnc1C ZINC001049398128 812137229 /nfs/dbraw/zinc/13/72/29/812137229.db2.gz SNGOADUKQBNKIE-UONOGXRCSA-N 0 3 289.379 2.238 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001049404060 812138505 /nfs/dbraw/zinc/13/85/05/812138505.db2.gz 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/nfs/dbraw/zinc/17/07/43/812170743.db2.gz AQVWLYMGYHGRSF-KCYZZUKISA-N 0 3 274.408 2.428 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](F)C(C)C ZINC001049656834 812183409 /nfs/dbraw/zinc/18/34/09/812183409.db2.gz ZRJMPJJLNQIDRE-MJBXVCDLSA-N 0 3 268.376 2.232 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(C)CCCOC1 ZINC001049817809 812215051 /nfs/dbraw/zinc/21/50/51/812215051.db2.gz OBHSTWGKRZOOSP-BFYDXBDKSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H](C)CC)[C@@H]2C1 ZINC001049979624 812246521 /nfs/dbraw/zinc/24/65/21/812246521.db2.gz QQXXYNIQKHTUGF-MELADBBJSA-N 0 3 250.386 2.141 20 30 CEEDHN CC[C@@H]1C[C@H](NC(=N)c2ccc(Cl)cn2)CCO1 ZINC001170169935 812321671 /nfs/dbraw/zinc/32/16/71/812321671.db2.gz PPWKVFROTDBVTK-GHMZBOCLSA-N 0 3 267.760 2.398 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@H]1CN(CC=C(C)C)CCCO1 ZINC001150084747 815526220 /nfs/dbraw/zinc/52/62/20/815526220.db2.gz GPFVFIPVSLPGDW-HNNXBMFYSA-N 0 3 294.439 2.372 20 30 CEEDHN Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)N[O-])CC2 ZINC001172834798 815530295 /nfs/dbraw/zinc/53/02/95/815530295.db2.gz GMEXITYXCCAIEH-HOTGVXAUSA-N 0 3 290.407 2.362 20 30 CEEDHN CC[C@H](C)[C@H]([NH2+][C@@H]1CCc2ccc(C)cc2C1)C(=O)N[O-] ZINC001172838231 815530365 /nfs/dbraw/zinc/53/03/65/815530365.db2.gz NKWBTCLAFJOVCM-MAZHCROVSA-N 0 3 290.407 2.362 20 30 CEEDHN C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCOC)CC1 ZINC001097789450 812436711 /nfs/dbraw/zinc/43/67/11/812436711.db2.gz QNXAGJULTRPMKV-OAGGEKHMSA-N 0 3 292.423 2.101 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001052692522 812447628 /nfs/dbraw/zinc/44/76/28/812447628.db2.gz FSSNLJDQAFNSOW-BZUAXINKSA-N 0 3 276.424 2.417 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001052782025 812458530 /nfs/dbraw/zinc/45/85/30/812458530.db2.gz WMGWICZMIIVMNZ-OWCLPIDISA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(C)cc2)CC1 ZINC001052891523 812472092 /nfs/dbraw/zinc/47/20/92/812472092.db2.gz 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ZINC001132240897 812814197 /nfs/dbraw/zinc/81/41/97/812814197.db2.gz OMTUGMIIIIDIMX-HOTGVXAUSA-N 0 3 294.439 2.186 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)CC3CCC3)C2)CC1 ZINC001050473980 812829106 /nfs/dbraw/zinc/82/91/06/812829106.db2.gz DWZNFQDTKCXZJU-UHFFFAOYSA-N 0 3 274.408 2.124 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CCC2CCOCC2)CC[C@@H]1C ZINC001132335461 812830358 /nfs/dbraw/zinc/83/03/58/812830358.db2.gz OXRDYTCZUMDPFU-GOEBONIOSA-N 0 3 294.439 2.348 20 30 CEEDHN CCCCCC[C@@H](CC)C(=O)NCCNCC#CCOC ZINC001132328070 812830593 /nfs/dbraw/zinc/83/05/93/812830593.db2.gz BACCSDJJYGZJDS-MRXNPFEDSA-N 0 3 296.455 2.339 20 30 CEEDHN CC[C@@H](F)CN1CCC2(CN(C(=O)C#CC3CC3)C2)CC1 ZINC001050515965 812834577 /nfs/dbraw/zinc/83/45/77/812834577.db2.gz WLUZNICVKCYKDY-OAHLLOKOSA-N 0 3 292.398 2.072 20 30 CEEDHN CC[C@H](F)CN1CCC2(CN(C(=O)C#CC3CC3)C2)CC1 ZINC001050515964 812835145 /nfs/dbraw/zinc/83/51/45/812835145.db2.gz WLUZNICVKCYKDY-HNNXBMFYSA-N 0 3 292.398 2.072 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@H]3CCC[C@@H]3CC)C2)CC1 ZINC001050651211 812848563 /nfs/dbraw/zinc/84/85/63/812848563.db2.gz JTQPGACWROZXFA-HOTGVXAUSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C3(CF)CCC3)C2)CC1 ZINC001050669397 812850341 /nfs/dbraw/zinc/85/03/41/812850341.db2.gz AWJNHBKMAXCXKA-UHFFFAOYSA-N 0 3 292.398 2.074 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CCO)C2)CCCC1 ZINC001132546675 812882476 /nfs/dbraw/zinc/88/24/76/812882476.db2.gz PPFYQHBYHZGVHR-HUUCEWRRSA-N 0 3 294.439 2.084 20 30 CEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1scnc1C ZINC001132568731 812893273 /nfs/dbraw/zinc/89/32/73/812893273.db2.gz CWVIDCCZGBGWSP-GHMZBOCLSA-N 0 3 281.425 2.116 20 30 CEEDHN CC1(C)CC[C@H]1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001132636101 812908725 /nfs/dbraw/zinc/90/87/25/812908725.db2.gz NZEJWYGXUNZZKZ-HNNXBMFYSA-N 0 3 285.391 2.200 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)NCCNCc1cnc(C)s1 ZINC001132650511 812918606 /nfs/dbraw/zinc/91/86/06/812918606.db2.gz KMLGLDBAHDRSPZ-LLVKDONJSA-N 0 3 281.425 2.260 20 30 CEEDHN CC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001052125586 812926879 /nfs/dbraw/zinc/92/68/79/812926879.db2.gz WJKXNDYCCSVFMU-MRXNPFEDSA-N 0 3 271.364 2.049 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)Cc2ccc(C)o2)CC1 ZINC001052312864 812970611 /nfs/dbraw/zinc/97/06/11/812970611.db2.gz CXKWGVZIIDYYPO-OAHLLOKOSA-N 0 3 288.391 2.125 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001052433107 812993148 /nfs/dbraw/zinc/99/31/48/812993148.db2.gz OAUXQCUNDAKHFR-STQMWFEESA-N 0 3 284.350 2.026 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001052433013 812993584 /nfs/dbraw/zinc/99/35/84/812993584.db2.gz OAUXQCUNDAKHFR-CHWSQXEVSA-N 0 3 284.350 2.026 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)[C@H](C)C2CCC2)CC1 ZINC001052485754 812997687 /nfs/dbraw/zinc/99/76/87/812997687.db2.gz CSPJCNXXOYNDBG-ZBFHGGJFSA-N 0 3 276.424 2.417 20 30 CEEDHN C=CCCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001133154050 812998850 /nfs/dbraw/zinc/99/88/50/812998850.db2.gz ALNTUBJQQIBUNZ-UHFFFAOYSA-N 0 3 291.351 2.157 20 30 CEEDHN C=CCCCC(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001133154356 812999000 /nfs/dbraw/zinc/99/90/00/812999000.db2.gz GYAUODDYXWZZHC-UHFFFAOYSA-N 0 3 289.354 2.259 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@H]2CCCC23CC3)CC1 ZINC001052491792 812999273 /nfs/dbraw/zinc/99/92/73/812999273.db2.gz KLLRIPUEBNTPMW-LSDHHAIUSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001052632823 813017590 /nfs/dbraw/zinc/01/75/90/813017590.db2.gz JKBLKAVCTUKFOU-LSDHHAIUSA-N 0 3 276.424 2.417 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001052644664 813020734 /nfs/dbraw/zinc/02/07/34/813020734.db2.gz AFPODEVXXBPUNP-FXUDXRNXSA-N 0 3 274.408 2.027 20 30 CEEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccnc(C#N)n1 ZINC001170680114 813034449 /nfs/dbraw/zinc/03/44/49/813034449.db2.gz XNQREEGCRJLSKF-NSHDSACASA-N 0 3 290.330 2.221 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)NCCNCc1cnc(C)s1 ZINC001133378599 813042176 /nfs/dbraw/zinc/04/21/76/813042176.db2.gz 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/nfs/dbraw/zinc/59/81/23/815598123.db2.gz ZCKFROBWNZDHGN-JKSUJKDBSA-N 0 3 294.439 2.372 20 30 CEEDHN C#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ocnc1C ZINC001134205160 813227776 /nfs/dbraw/zinc/22/77/76/813227776.db2.gz HBXHPXVQZSAOJF-OLZOCXBDSA-N 0 3 291.395 2.159 20 30 CEEDHN Cc1ncc(CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)C)o1 ZINC001134317420 813250328 /nfs/dbraw/zinc/25/03/28/813250328.db2.gz JCRQYTYJJPHUNL-QWHCGFSZSA-N 0 3 291.395 2.015 20 30 CEEDHN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NCc1cnns1 ZINC001134476522 813280059 /nfs/dbraw/zinc/28/00/59/813280059.db2.gz TVXWRRGUCIZVLU-NWDGAFQWSA-N 0 3 296.440 2.267 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H](C)Cc1ccccc1Cl ZINC001134563621 813289202 /nfs/dbraw/zinc/28/92/02/813289202.db2.gz OIBQYLDXRXWRLW-ZDUSSCGKSA-N 0 3 292.810 2.248 20 30 CEEDHN CC#CCNCCNC(=O)CC[C@@H](C)c1ccccc1 ZINC001134809850 813331295 /nfs/dbraw/zinc/33/12/95/813331295.db2.gz ZYMQJNNKWRSWCC-OAHLLOKOSA-N 0 3 272.392 2.299 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccncc2)CC[C@@H]1C ZINC001071312183 813360305 /nfs/dbraw/zinc/36/03/05/813360305.db2.gz HFOCVZOKNMYBKJ-DZGCQCFKSA-N 0 3 273.380 2.240 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)C2CC=CC2)CC[C@H]1C ZINC001071403756 813395121 /nfs/dbraw/zinc/39/51/21/813395121.db2.gz CRQSOLNWVUHYNZ-HIFRSBDPSA-N 0 3 262.397 2.498 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc[nH]c2C)CC[C@@H]1C ZINC001071410908 813397373 /nfs/dbraw/zinc/39/73/73/813397373.db2.gz IHPOBSAZKSHQAV-JSGCOSHPSA-N 0 3 275.396 2.482 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccc(C)o2)CC[C@H]1C ZINC001071439132 813406345 /nfs/dbraw/zinc/40/63/45/813406345.db2.gz XKEHMOBLEAZZQK-HIFRSBDPSA-N 0 3 288.391 2.123 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2[nH]ccc2C2CC2)CC[C@H]1C ZINC001071561677 813438018 /nfs/dbraw/zinc/43/80/18/813438018.db2.gz SSXUZACUCXLWDE-UKRRQHHQSA-N 0 3 299.418 2.498 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2(C)CCC2)CC[C@@H]1C ZINC001071742589 813473418 /nfs/dbraw/zinc/47/34/18/813473418.db2.gz QZGJAYIXLWEGJN-UONOGXRCSA-N 0 3 262.397 2.169 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2csc(=O)[nH]2)CC[C@@H]1C ZINC001071752954 813475876 /nfs/dbraw/zinc/47/58/76/813475876.db2.gz MEODBIPMCQSBAS-WDEREUQCSA-N 0 3 295.408 2.008 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)c2cnoc2CC)CC[C@@H]1C ZINC001071865898 813501763 /nfs/dbraw/zinc/50/17/63/813501763.db2.gz OBRVPQYHAJAUIC-STQMWFEESA-N 0 3 291.395 2.396 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)/C=C/C2CC2)C1 ZINC001100217378 813502841 /nfs/dbraw/zinc/50/28/41/813502841.db2.gz LWDQXVGAUUEAKQ-SNAWJCMRSA-N 0 3 268.788 2.190 20 30 CEEDHN CC(C)[C@H]1C[C@H]1C(=O)NCCNCc1cccc(C#N)c1 ZINC001136062232 813593894 /nfs/dbraw/zinc/59/38/94/813593894.db2.gz XRLDHKARVLYXFE-HZPDHXFCSA-N 0 3 285.391 2.056 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@H](C)c3ccncc3)C2)C1 ZINC001072849381 813673500 /nfs/dbraw/zinc/67/35/00/813673500.db2.gz CILUKTOKHIOGCG-HNNXBMFYSA-N 0 3 299.418 2.296 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)CC3CC(F)(F)C3)C2)C1 ZINC001072864503 813676517 /nfs/dbraw/zinc/67/65/17/813676517.db2.gz HUZPLWOWPDUOFK-UHFFFAOYSA-N 0 3 284.350 2.142 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3cc[nH]c3C3CC3)C2)C1 ZINC001072921899 813690853 /nfs/dbraw/zinc/69/08/53/813690853.db2.gz VLEAAZHPEJAUIR-UHFFFAOYSA-N 0 3 285.391 2.226 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(F)cc3F)C2)C1 ZINC001073398630 813749979 /nfs/dbraw/zinc/74/99/79/813749979.db2.gz VQXZWEYZBKSPPK-UHFFFAOYSA-N 0 3 292.329 2.299 20 30 CEEDHN CCN1C[C@@H]2C[C@H]1CN2Cc1c(Cl)cccc1C#N ZINC001143734345 813866834 /nfs/dbraw/zinc/86/68/34/813866834.db2.gz KRVPOFNJIBLMOS-STQMWFEESA-N 0 3 275.783 2.490 20 30 CEEDHN C=CCOc1ccccc1CNCCN(C)C(=O)OC ZINC000689512126 813923563 /nfs/dbraw/zinc/92/35/63/813923563.db2.gz KSLOXHVEAPXHAH-UHFFFAOYSA-N 0 3 278.352 2.039 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)C(C)(C)F)C1 ZINC001098691674 813937197 /nfs/dbraw/zinc/93/71/97/813937197.db2.gz NVFVRRCKLLTQMD-WFASDCNBSA-N 0 3 268.376 2.281 20 30 CEEDHN CCCCCN1CCN(Cc2ccc(C#N)cn2)CC1 ZINC001144160563 813970494 /nfs/dbraw/zinc/97/04/94/813970494.db2.gz LWBXNJNJCOBIPB-UHFFFAOYSA-N 0 3 272.396 2.261 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@]1(C)CCOC1 ZINC001099281860 813996949 /nfs/dbraw/zinc/99/69/49/813996949.db2.gz ZZZLEIUAGHJNKJ-WMLDXEAASA-N 0 3 294.439 2.206 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)NC(=N)c1ccc(F)cn1 ZINC001171184188 814071497 /nfs/dbraw/zinc/07/14/97/814071497.db2.gz LIHVVGWOVUOKPY-LLVKDONJSA-N 0 3 282.322 2.429 20 30 CEEDHN COCCn1cnc(CN[C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171193804 814093979 /nfs/dbraw/zinc/09/39/79/814093979.db2.gz CGTSBXDEOJBFDC-CQSZACIVSA-N 0 3 298.390 2.122 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@H](C(=O)OC)CC2)cc1 ZINC001144581079 814114563 /nfs/dbraw/zinc/11/45/63/814114563.db2.gz NKARZXQTMWNHBB-INIZCTEOSA-N 0 3 271.360 2.443 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)n1c2c(sc1=N)CNCC2 ZINC001171223267 814187638 /nfs/dbraw/zinc/18/76/38/814187638.db2.gz LSIIRMXIHYKWOX-LLVKDONJSA-N 0 3 298.415 2.350 20 30 CEEDHN Cc1cc(CC#N)ccc1NC(=N)c1ccc(C(N)=O)cc1 ZINC001171258618 814238721 /nfs/dbraw/zinc/23/87/21/814238721.db2.gz HIDLSGDSAZZCRV-UHFFFAOYSA-N 0 3 292.342 2.197 20 30 CEEDHN CCC(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001101659287 814288085 /nfs/dbraw/zinc/28/80/85/814288085.db2.gz GJWWMQBZHIRHRC-NVXWUHKLSA-N 0 3 284.403 2.132 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C(F)=C3CCCC3)C[C@]2(C)C1 ZINC001091595241 814314620 /nfs/dbraw/zinc/31/46/20/814314620.db2.gz NPPKKFNBOFUESC-PBHICJAKSA-N 0 3 290.382 2.198 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(CCF)C[C@H]1C ZINC001102219384 814367382 /nfs/dbraw/zinc/36/73/82/814367382.db2.gz FGPJISBFAWTCOR-CHWSQXEVSA-N 0 3 270.392 2.242 20 30 CEEDHN C=CCCC(=O)N1CC2(C1)CCN(Cc1ncccc1C)C2 ZINC001147159630 814393131 /nfs/dbraw/zinc/39/31/31/814393131.db2.gz TUFSKMUGAUBEDJ-UHFFFAOYSA-N 0 3 299.418 2.391 20 30 CEEDHN C#CCNCCNC(=O)C[C@H](c1ccccc1)C(C)C ZINC001147429079 814436688 /nfs/dbraw/zinc/43/66/88/814436688.db2.gz OJYUSISKXDYSEC-INIZCTEOSA-N 0 3 272.392 2.155 20 30 CEEDHN C#CCCCCCC(=O)N1CC2(C1)CCN(CC=C)C2 ZINC001148053974 814521023 /nfs/dbraw/zinc/52/10/23/814521023.db2.gz XDDOKOZWQIZCAH-UHFFFAOYSA-N 0 3 274.408 2.290 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C/C=C(/C)C=C)C2)C1 ZINC001148080223 814526462 /nfs/dbraw/zinc/52/64/62/814526462.db2.gz RMZHDHLSEJSYRB-NSIKDUERSA-N 0 3 260.381 2.229 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CCN(CC#CC)C2 ZINC001148128982 814528617 /nfs/dbraw/zinc/52/86/17/814528617.db2.gz CMQGGDODYGXKQW-OAHLLOKOSA-N 0 3 274.408 2.146 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)/C=C(/C)C2CC2)C1 ZINC001111627067 814590841 /nfs/dbraw/zinc/59/08/41/814590841.db2.gz FJXSJWURLRJAFQ-BJEBXGQRSA-N 0 3 286.419 2.337 20 30 CEEDHN CCCCC[C@@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000691560845 814594704 /nfs/dbraw/zinc/59/47/04/814594704.db2.gz MSFPJXUVPPYBPE-CHWSQXEVSA-N 0 3 253.390 2.483 20 30 CEEDHN CC#CCNCCNC(=O)CCCCCCCC ZINC001148721887 814606091 /nfs/dbraw/zinc/60/60/91/814606091.db2.gz PQUNWZBKMOXGSZ-UHFFFAOYSA-N 0 3 252.402 2.466 20 30 CEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)CC)C2)CC1 ZINC001086894611 814643100 /nfs/dbraw/zinc/64/31/00/814643100.db2.gz QZEDEWZLKVKGSJ-CQSZACIVSA-N 0 3 262.397 2.123 20 30 CEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3ccc[nH]3)C2)CC1 ZINC001086902996 814647082 /nfs/dbraw/zinc/64/70/82/814647082.db2.gz UMBBLKSFGKIERH-HNNXBMFYSA-N 0 3 299.418 2.355 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CC(C)C ZINC001115090878 814680146 /nfs/dbraw/zinc/68/01/46/814680146.db2.gz FIRNLIJSVNSMJI-BYNSBNAKSA-N 0 3 264.413 2.291 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CC(F)(F)F ZINC001115129894 814683019 /nfs/dbraw/zinc/68/30/19/814683019.db2.gz GXOBOTFGLRFEQJ-WYUUTHIRSA-N 0 3 290.329 2.197 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C(C)(C)C(C)(F)F)C[C@]2(C)C1 ZINC001092233990 814696584 /nfs/dbraw/zinc/69/65/84/814696584.db2.gz XBOJSCQLTQHHIG-DOMZBBRYSA-N 0 3 298.377 2.081 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2cc(C)cc(F)c2)[C@H](C)C1 ZINC001092991450 814762534 /nfs/dbraw/zinc/76/25/34/814762534.db2.gz GSPWIEOFLVVNQE-UKRRQHHQSA-N 0 3 288.366 2.065 20 30 CEEDHN C=CC[NH+](CC=C)[C@H](C[N-]c1nc(C)no1)C(C)C ZINC001116728961 814878024 /nfs/dbraw/zinc/87/80/24/814878024.db2.gz DOGZHZLNBXTPOH-CYBMUJFWSA-N 0 3 264.373 2.489 20 30 CEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(C)C)CC1 ZINC001093358556 814915035 /nfs/dbraw/zinc/91/50/35/814915035.db2.gz DVGWHFZXXOAPRN-INIZCTEOSA-N 0 3 288.435 2.369 20 30 CEEDHN N#CCC1CCC(NCC(=O)c2cccnc2)CC1 ZINC001173329868 815677983 /nfs/dbraw/zinc/67/79/83/815677983.db2.gz KXOFKZYQPAVPKM-UHFFFAOYSA-N 0 3 257.337 2.326 20 30 CEEDHN N#CCC1CCC(N2CCC(=O)[C@H](F)CC2)CC1 ZINC001173332301 815679350 /nfs/dbraw/zinc/67/93/50/815679350.db2.gz YZHCTXWFIJMIDO-WXRRBKDZSA-N 0 3 252.333 2.462 20 30 CEEDHN N#CCC1CCC(N2CCN(c3ccncn3)CC2)CC1 ZINC001173337594 815682366 /nfs/dbraw/zinc/68/23/66/815682366.db2.gz PQBMKPGLEHACAV-UHFFFAOYSA-N 0 3 285.395 2.071 20 30 CEEDHN C[C@@H]1CN(C2CN(C3CCC(CC#N)CC3)C2)C[C@H](C)O1 ZINC001173339387 815682532 /nfs/dbraw/zinc/68/25/32/815682532.db2.gz GGIDQLVBWDLSCA-PJPHBNEVSA-N 0 3 291.439 2.252 20 30 CEEDHN C[C@@]1(O)CCCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC001139525201 816038502 /nfs/dbraw/zinc/03/85/02/816038502.db2.gz DZWHMZJUXNTEHO-OAHLLOKOSA-N 0 3 262.328 2.434 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@H](OC)C1CCCC1 ZINC001174803748 816092314 /nfs/dbraw/zinc/09/23/14/816092314.db2.gz CJIVCJSTVVXVKF-CYBMUJFWSA-N 0 3 288.819 2.040 20 30 CEEDHN Cc1ccc(CN2CC[C@](C)(O)[C@@H](C)C2)cc1C#N ZINC001139722653 816095577 /nfs/dbraw/zinc/09/55/77/816095577.db2.gz DUHYDAXXORBWNL-BBRMVZONSA-N 0 3 258.365 2.460 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)C(C)(C)c1nccs1 ZINC001139869367 816131276 /nfs/dbraw/zinc/13/12/76/816131276.db2.gz HIOWWFGBRIRGEA-UHFFFAOYSA-N 0 3 295.452 2.387 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)c1ccoc1CC ZINC001139869550 816131644 /nfs/dbraw/zinc/13/16/44/816131644.db2.gz KWWARIJHUSRKEL-UHFFFAOYSA-N 0 3 264.369 2.422 20 30 CEEDHN C=CCN1CCN(Cc2ccccc2-n2ccnc2C)CC1 ZINC001140026378 816169000 /nfs/dbraw/zinc/16/90/00/816169000.db2.gz XRKIMNYADJQUHQ-UHFFFAOYSA-N 0 3 296.418 2.484 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)CCc1cncc(C)c1 ZINC001176092503 816340221 /nfs/dbraw/zinc/34/02/21/816340221.db2.gz MYHCKTKOURZVFW-INIZCTEOSA-N 0 3 287.407 2.089 20 30 CEEDHN C[C@H](CC(F)(F)F)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000838790118 816552197 /nfs/dbraw/zinc/55/21/97/816552197.db2.gz DLMQZPXFSGZMSF-RKDXNWHRSA-N 0 3 299.252 2.317 20 30 CEEDHN CSc1nc(CN(C)C2CCOCC2)ccc1C#N ZINC001141929097 816599630 /nfs/dbraw/zinc/59/96/30/816599630.db2.gz LTCICMFDELBBII-UHFFFAOYSA-N 0 3 277.393 2.286 20 30 CEEDHN Cc1ncc(NC(=O)C(C#N)Cc2cccs2)nc1C ZINC001177904263 816639537 /nfs/dbraw/zinc/63/95/37/816639537.db2.gz NZJYWXTYKDYDHC-LLVKDONJSA-N 0 3 286.360 2.476 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000121343183 365556282 /nfs/dbraw/zinc/55/62/82/365556282.db2.gz YZZFPYBRXBLYNB-UKRRQHHQSA-N 0 3 290.382 2.381 20 30 CEEDHN C=CCN(CCC(=O)N(C)C)Cc1ccc(OC)cc1 ZINC000298749516 260161783 /nfs/dbraw/zinc/16/17/83/260161783.db2.gz JNZJSLSVVCBNNM-UHFFFAOYSA-N 0 3 276.380 2.162 20 30 CEEDHN COC(=O)[C@@]1(C)CN(Cc2cc(C#N)cs2)C[C@@H]1C ZINC000337545050 214147998 /nfs/dbraw/zinc/14/79/98/214147998.db2.gz NLIFWHWCAWIIIS-HZMBPMFUSA-N 0 3 278.377 2.251 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(Cc2cccc(C)c2)CC1 ZINC000033918159 361785915 /nfs/dbraw/zinc/78/59/15/361785915.db2.gz BMMBQGGAUSWYAB-SFHVURJKSA-N 0 3 288.435 2.440 20 30 CEEDHN CN1CCC2(CCCN2C(=O)c2ccc(C#N)s2)CC1 ZINC000336528500 365601808 /nfs/dbraw/zinc/60/18/08/365601808.db2.gz STARNQSCHUWVMV-UHFFFAOYSA-N 0 3 289.404 2.320 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(O)cc2)CC1 ZINC000124890429 187159986 /nfs/dbraw/zinc/15/99/86/187159986.db2.gz FIJMBOFETFVPBW-VMPITWQZSA-N 0 3 286.375 2.172 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCCN(c3ccccn3)C2)o1 ZINC000121714570 365606706 /nfs/dbraw/zinc/60/67/06/365606706.db2.gz VCGRRJCECKNVTD-CYBMUJFWSA-N 0 3 282.347 2.305 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccnc1 ZINC000122676051 365630974 /nfs/dbraw/zinc/63/09/74/365630974.db2.gz MUNWORXNUYXYDT-GFCCVEGCSA-N 0 3 276.299 2.458 20 30 CEEDHN N#Cc1cccnc1N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000122910448 365632640 /nfs/dbraw/zinc/63/26/40/365632640.db2.gz WRNNPLSNAIFYMO-OAHLLOKOSA-N 0 3 282.391 2.432 20 30 CEEDHN C=CCNC(=O)NC[C@H]1CCCN1CCc1ccccc1 ZINC000079940387 343994571 /nfs/dbraw/zinc/99/45/71/343994571.db2.gz IGVDMORNEFKPEY-MRXNPFEDSA-N 0 3 287.407 2.179 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N(CC(=O)N(CCC#N)CCC#N)C1 ZINC000125125037 365666575 /nfs/dbraw/zinc/66/65/75/365666575.db2.gz DNWSENKWEHGPQF-CABCVRRESA-N 0 3 290.411 2.153 20 30 CEEDHN CC[C@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000125413318 365675341 /nfs/dbraw/zinc/67/53/41/365675341.db2.gz DYQRISLGRRQCSQ-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(C#N)cc1)CC2 ZINC000118398658 282126882 /nfs/dbraw/zinc/12/68/82/282126882.db2.gz IIKMJRYHMVIIPX-IAQYHMDHSA-N 0 3 281.363 2.124 20 30 CEEDHN CC[C@@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000125531576 365678653 /nfs/dbraw/zinc/67/86/53/365678653.db2.gz KZMHXWVXWVJTGP-CZUORRHYSA-N 0 3 283.375 2.395 20 30 CEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C1(C#N)CC2(CC2)C1 ZINC000601576249 346853320 /nfs/dbraw/zinc/85/33/20/346853320.db2.gz UGCPCAHDNWVTRP-ZIAGYGMSSA-N 0 3 287.407 2.156 20 30 CEEDHN C=CCCCN1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621384393 349590468 /nfs/dbraw/zinc/59/04/68/349590468.db2.gz FUGLAPRUZFGMNH-UHFFFAOYSA-N 0 3 291.370 2.013 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000125419793 187183834 /nfs/dbraw/zinc/18/38/34/187183834.db2.gz VQRBWUURDQKYAB-CQSZACIVSA-N 0 3 271.364 2.033 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000337835301 214279183 /nfs/dbraw/zinc/27/91/83/214279183.db2.gz UGDMQMJDVCJWQB-SWLSCSKDSA-N 0 3 271.364 2.079 20 30 CEEDHN CN(C(=O)C1(c2cccc(C#N)c2)CC1)[C@H]1CCCN(C)C1 ZINC000336590443 365687379 /nfs/dbraw/zinc/68/73/79/365687379.db2.gz RYQATSGWCQDSPL-INIZCTEOSA-N 0 3 297.402 2.142 20 30 CEEDHN C=CCNC(=O)CN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000269653180 190528744 /nfs/dbraw/zinc/52/87/44/190528744.db2.gz IIISVPWHQLXKMY-OAHLLOKOSA-N 0 3 262.328 2.169 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)C1(C#N)CC2(CC2)C1 ZINC000601671173 346875145 /nfs/dbraw/zinc/87/51/45/346875145.db2.gz IVAKEDSRDZIDSV-CQSZACIVSA-N 0 3 289.423 2.307 20 30 CEEDHN C=CCOc1ccc(CN(CC(N)=O)C2CCCC2)cc1 ZINC000130074136 539174976 /nfs/dbraw/zinc/17/49/76/539174976.db2.gz FMHFSOIRYMJWKV-UHFFFAOYSA-N 0 3 288.391 2.481 20 30 CEEDHN COC(=O)CCN(Cc1ccc(C#N)s1)C(C)C ZINC000125904714 187204352 /nfs/dbraw/zinc/20/43/52/187204352.db2.gz QMVADWGDMCDRSF-UHFFFAOYSA-N 0 3 266.366 2.393 20 30 CEEDHN C=CCc1cc(CNC2([C@H](C)O)CC2)cc(OC)c1O ZINC000668697924 539239873 /nfs/dbraw/zinc/23/98/73/539239873.db2.gz PAOYBSLFVJNIKA-NSHDSACASA-N 0 3 277.364 2.132 20 30 CEEDHN C=CCOc1ccc(CNC2([C@@H](C)O)CC2)cc1OC ZINC000668697297 539239985 /nfs/dbraw/zinc/23/99/85/539239985.db2.gz ZQQZQAFVTVPPKH-GFCCVEGCSA-N 0 3 277.364 2.263 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1CCN(c2ccncc2)CC1 ZINC000134911602 539283858 /nfs/dbraw/zinc/28/38/58/539283858.db2.gz IKTNEJPZWPHYCV-MRXNPFEDSA-N 0 3 273.380 2.333 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@H](c1ccccc1)C(C)C ZINC000042509991 362100798 /nfs/dbraw/zinc/10/07/98/362100798.db2.gz YHJUABAZXVEVPV-HIFRSBDPSA-N 0 3 258.365 2.111 20 30 CEEDHN COCCCN(CCOC)Cc1cccc(C#N)c1 ZINC000042256353 362075244 /nfs/dbraw/zinc/07/52/44/362075244.db2.gz RRPXHJVMITZPJC-UHFFFAOYSA-N 0 3 262.353 2.043 20 30 CEEDHN C#Cc1cccc(NC(=O)CC2CCN(C)CC2)c1 ZINC000273158039 192060765 /nfs/dbraw/zinc/06/07/65/192060765.db2.gz BFZSMTDNZSHQCI-UHFFFAOYSA-N 0 3 256.349 2.338 20 30 CEEDHN C=CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000042925867 362129732 /nfs/dbraw/zinc/12/97/32/362129732.db2.gz HSUHTVACXWNSID-UHFFFAOYSA-N 0 3 273.380 2.090 20 30 CEEDHN CC1(C)CN(C[C@H](O)CC2(C#N)CCOCC2)[C@@H]1C1CC1 ZINC000601955741 346942215 /nfs/dbraw/zinc/94/22/15/346942215.db2.gz BLIANEOJBDMQEH-HUUCEWRRSA-N 0 3 292.423 2.178 20 30 CEEDHN C[C@@H](CNC(=O)c1cccc(C#N)c1)N1CCC[C@@H](C)C1 ZINC000046952890 343508085 /nfs/dbraw/zinc/50/80/85/343508085.db2.gz DONNMJRWLQYCMV-KGLIPLIRSA-N 0 3 285.391 2.408 20 30 CEEDHN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CCCC#N)C1 ZINC000051053958 343548202 /nfs/dbraw/zinc/54/82/02/343548202.db2.gz WRQZJOGDEJHRKM-ZIAGYGMSSA-N 0 3 265.401 2.307 20 30 CEEDHN C=CCNC(=O)CN1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000051765995 343553232 /nfs/dbraw/zinc/55/32/32/343553232.db2.gz FWDMKWUHZASFHX-MJBXVCDLSA-N 0 3 250.386 2.189 20 30 CEEDHN CN1CCN(Cc2nc(C#N)cs2)C2(CCCCC2)C1 ZINC000356133318 529775329 /nfs/dbraw/zinc/77/53/29/529775329.db2.gz WKSYFMZHVOPKGM-UHFFFAOYSA-N 0 3 290.436 2.465 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)NC(C)(C)C ZINC000128533543 365793412 /nfs/dbraw/zinc/79/34/12/365793412.db2.gz CMRUMLKCTFMMAX-SNVBAGLBSA-N 0 3 270.336 2.095 20 30 CEEDHN C#CCNC(=O)CCNCc1ccc(C(C)(C)C)cc1 ZINC000064615777 343692256 /nfs/dbraw/zinc/69/22/56/343692256.db2.gz SQWQWQWWOMOMQS-UHFFFAOYSA-N 0 3 272.392 2.213 20 30 CEEDHN C[C@@H](N[C@@H]1CCCS(=O)(=O)CC1)c1ccc(C#N)cc1 ZINC000601995543 346952624 /nfs/dbraw/zinc/95/26/24/346952624.db2.gz DPKIHQRVZCOETK-IUODEOHRSA-N 0 3 292.404 2.176 20 30 CEEDHN C=CCOc1ccc(C(=O)NC[C@H](C)N2CCCC2)cc1 ZINC000063732952 343682108 /nfs/dbraw/zinc/68/21/08/343682108.db2.gz YTRMEGVDSYKTPT-AWEZNQCLSA-N 0 3 288.391 2.466 20 30 CEEDHN CC(=O)N1CCC[C@@H](CNCc2cccc(F)c2C#N)C1 ZINC000602015867 346959919 /nfs/dbraw/zinc/95/99/19/346959919.db2.gz JGMQIQXOIZMWIV-ZDUSSCGKSA-N 0 3 289.354 2.045 20 30 CEEDHN C=CCOc1ccc(CN[C@@H]2CC(=O)N(C)C2)cc1Cl ZINC000066991724 343728428 /nfs/dbraw/zinc/72/84/28/343728428.db2.gz BVOGAEIBGHMZCX-GFCCVEGCSA-N 0 3 294.782 2.225 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000069316641 343785441 /nfs/dbraw/zinc/78/54/41/343785441.db2.gz DDWGBFXVOLRKBN-GOEBONIOSA-N 0 3 290.407 2.387 20 30 CEEDHN CN(CCCCCO)Cc1ccc(C#N)c(F)c1 ZINC000404165632 529882190 /nfs/dbraw/zinc/88/21/90/529882190.db2.gz SIURBCVXUVSJIS-UHFFFAOYSA-N 0 3 250.317 2.292 20 30 CEEDHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)NCC#N)cc1 ZINC000075886707 343871134 /nfs/dbraw/zinc/87/11/34/343871134.db2.gz SPRXJRZUIHHFCA-HOTGVXAUSA-N 0 3 285.391 2.203 20 30 CEEDHN CC[C@@H](CO)N1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000075956165 343873543 /nfs/dbraw/zinc/87/35/43/343873543.db2.gz OTUPGTHCBGKSPU-PBHICJAKSA-N 0 3 287.407 2.008 20 30 CEEDHN CC(=O)c1ccc(C#N)c(N2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000273181446 192067647 /nfs/dbraw/zinc/06/76/47/192067647.db2.gz BBUKYYNXNGZVDD-CVEARBPZSA-N 0 3 283.375 2.434 20 30 CEEDHN CN(Cc1ccccc1)[C@H]1CCN(CCCC#N)C1 ZINC000081533850 344056354 /nfs/dbraw/zinc/05/63/54/344056354.db2.gz NYFKRZWWQXTZGK-INIZCTEOSA-N 0 3 257.381 2.496 20 30 CEEDHN CCN(CCC#N)C(=O)c1cccc(CN(C)C)c1 ZINC000084409015 344084291 /nfs/dbraw/zinc/08/42/91/344084291.db2.gz DLQJFGBKQAZKGC-UHFFFAOYSA-N 0 3 259.353 2.124 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN([C@H](CC)CO)CC1 ZINC000091512621 344166541 /nfs/dbraw/zinc/16/65/41/344166541.db2.gz SBGGHIVIISMNLR-HUUCEWRRSA-N 0 3 254.418 2.120 20 30 CEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)NCC ZINC000602447828 347036725 /nfs/dbraw/zinc/03/67/25/347036725.db2.gz BBPDPZMZYBFABO-GFCCVEGCSA-N 0 3 291.351 2.107 20 30 CEEDHN C=CCOc1ccccc1CN1CCC[C@H](CC(N)=O)C1 ZINC000093808798 344229927 /nfs/dbraw/zinc/22/99/27/344229927.db2.gz SWRQPWUDKSELAK-CQSZACIVSA-N 0 3 288.391 2.339 20 30 CEEDHN C=CCOc1ccccc1CN1CCC[C@@H](CC(N)=O)C1 ZINC000093808799 344230042 /nfs/dbraw/zinc/23/00/42/344230042.db2.gz SWRQPWUDKSELAK-AWEZNQCLSA-N 0 3 288.391 2.339 20 30 CEEDHN C=CCOc1ccc(CN(CCO)CC2CC2)cc1OC ZINC000092506061 344192578 /nfs/dbraw/zinc/19/25/78/344192578.db2.gz XQFGKYWMAZSHAM-UHFFFAOYSA-N 0 3 291.391 2.464 20 30 CEEDHN N#Cc1cccc(CN2CCc3ccc(O)cc3CC2)n1 ZINC000602452705 347039627 /nfs/dbraw/zinc/03/96/27/347039627.db2.gz FTGBNCOGYDANMF-UHFFFAOYSA-N 0 3 279.343 2.260 20 30 CEEDHN Cc1ccnc(N2CCN(C[C@@H](C)CCC#N)CC2)c1 ZINC000602454110 347039770 /nfs/dbraw/zinc/03/97/70/347039770.db2.gz OPVSJJZFCSWQIE-HNNXBMFYSA-N 0 3 272.396 2.452 20 30 CEEDHN COc1ccnc(N2CCN(C[C@@H](C)CCC#N)CC2)c1 ZINC000602460660 347041924 /nfs/dbraw/zinc/04/19/24/347041924.db2.gz AKDVTXKEZRCLKF-AWEZNQCLSA-N 0 3 288.395 2.152 20 30 CEEDHN C[C@H](CCC#N)CN(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000602476312 347050950 /nfs/dbraw/zinc/05/09/50/347050950.db2.gz MTIMRNHGMGYETO-MGPQQGTHSA-N 0 3 286.441 2.214 20 30 CEEDHN CC(C)C[C@H](C)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000163066665 344469335 /nfs/dbraw/zinc/46/93/35/344469335.db2.gz AUGITXPEPNINJM-ZDUSSCGKSA-N 0 3 294.420 2.356 20 30 CEEDHN C=C(C)COCCNC[C@H](O)COc1ccc(Cl)cc1 ZINC000163838434 344471201 /nfs/dbraw/zinc/47/12/01/344471201.db2.gz GPHWILBCKSODGU-AWEZNQCLSA-N 0 3 299.798 2.262 20 30 CEEDHN CCC(C#N)(CC)C(=O)NCc1ccc2c(c1)CNC2 ZINC000602487678 347057010 /nfs/dbraw/zinc/05/70/10/347057010.db2.gz NNZJJJXCOLBOEI-UHFFFAOYSA-N 0 3 271.364 2.236 20 30 CEEDHN C=C(C)COCCNCc1ccc(C(=O)OC)c(F)c1 ZINC000234651446 344586242 /nfs/dbraw/zinc/58/62/42/344586242.db2.gz GFOACKLDSCDWNJ-UHFFFAOYSA-N 0 3 281.327 2.295 20 30 CEEDHN CC(C)C[C@@H](CNCc1cccc(C#N)n1)N(C)C ZINC000602509205 347061670 /nfs/dbraw/zinc/06/16/70/347061670.db2.gz DQOIAYLKRUAUNJ-HNNXBMFYSA-N 0 3 260.385 2.019 20 30 CEEDHN C#CC[C@H](N[C@@H]1CCN(CCOC)C1)c1ccccc1 ZINC000273207140 192074451 /nfs/dbraw/zinc/07/44/51/192074451.db2.gz SHRRVDHQWVDLFD-SJORKVTESA-N 0 3 272.392 2.061 20 30 CEEDHN C[C@H](CC(=O)N(C)C)N[C@H](C)c1cccc(C#N)c1 ZINC000312089181 344737405 /nfs/dbraw/zinc/73/74/05/344737405.db2.gz YGRZVWBSBVALPT-VXGBXAGGSA-N 0 3 259.353 2.076 20 30 CEEDHN CCN1CCCN(c2nccc(C)c2C#N)[C@H](C)C1 ZINC000320596454 344752182 /nfs/dbraw/zinc/75/21/82/344752182.db2.gz WNIXAFKUSAVYTE-CYBMUJFWSA-N 0 3 258.369 2.182 20 30 CEEDHN CCN1CCN(Cc2ccc(C#N)c(OC)c2)C[C@H]1C ZINC000300196404 344698892 /nfs/dbraw/zinc/69/88/92/344698892.db2.gz ILKMEZLWXVMCCX-CYBMUJFWSA-N 0 3 273.380 2.093 20 30 CEEDHN CCC(CC)(CCO)CNCc1cccc(C#N)n1 ZINC000602561526 347078460 /nfs/dbraw/zinc/07/84/60/347078460.db2.gz SAYWWPRARCEMAR-UHFFFAOYSA-N 0 3 261.369 2.232 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000390795141 344837757 /nfs/dbraw/zinc/83/77/57/344837757.db2.gz ZNWNJEVLGPKROA-BMFZPTHFSA-N 0 3 285.391 2.315 20 30 CEEDHN Cc1nc(CCNCc2cccc(C#N)n2)sc1C ZINC000602575324 347084844 /nfs/dbraw/zinc/08/48/44/347084844.db2.gz GYFQVOGDZAPNBB-UHFFFAOYSA-N 0 3 272.377 2.359 20 30 CEEDHN C#CC(C)(C)N(C)CCCn1c2ccccc2[nH]c1=O ZINC000491165021 344909692 /nfs/dbraw/zinc/90/96/92/344909692.db2.gz HTTYXBIBEVKYHD-UHFFFAOYSA-N 0 3 271.364 2.476 20 30 CEEDHN COc1ccc(CN(C)C)cc1NC(=O)CCCC#N ZINC000584873574 344995106 /nfs/dbraw/zinc/99/51/06/344995106.db2.gz XUFMGPFLCXPFEC-UHFFFAOYSA-N 0 3 275.352 2.389 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)CCCCCC#N ZINC000588368445 345047597 /nfs/dbraw/zinc/04/75/97/345047597.db2.gz PJCFLTOXHZZRHT-CQSZACIVSA-N 0 3 265.401 2.261 20 30 CEEDHN N#C[C@@H]1CCC[C@@H]1NCCc1ccc2c(c1)OCCO2 ZINC000054823698 362539082 /nfs/dbraw/zinc/53/90/82/362539082.db2.gz SGFVPKOKZCBGGM-KBPBESRZSA-N 0 3 272.348 2.282 20 30 CEEDHN CN(C)CCN(C(=O)CC1(C#N)CC1)C1CCCC1 ZINC000590245750 345123085 /nfs/dbraw/zinc/12/30/85/345123085.db2.gz VWZKQWNOVBCGDL-UHFFFAOYSA-N 0 3 263.385 2.013 20 30 CEEDHN CN(Cc1ccccc1)[C@@H]1CCN(CCOCCC#N)C1 ZINC000590161196 345118576 /nfs/dbraw/zinc/11/85/76/345118576.db2.gz HNVBRPMJCKRMOH-QGZVFWFLSA-N 0 3 287.407 2.123 20 30 CEEDHN CN1C[C@H]2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)[C@H]2C1 ZINC000590046688 345111404 /nfs/dbraw/zinc/11/14/04/345111404.db2.gz MKWBAVNETYWPIR-ZBFHGGJFSA-N 0 3 297.402 2.264 20 30 CEEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)CC2(C#N)CC2)C1 ZINC000590282095 345124546 /nfs/dbraw/zinc/12/45/46/345124546.db2.gz VGZYGXIKULHUSB-INIZCTEOSA-N 0 3 297.402 2.413 20 30 CEEDHN N#Cc1cscc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000590346096 345130643 /nfs/dbraw/zinc/13/06/43/345130643.db2.gz HWUKYFBVAFPNDH-ZDUSSCGKSA-N 0 3 289.404 2.366 20 30 CEEDHN CN(C)C[C@H](NC(=O)CC1(C#N)CC1)c1ccc(F)cc1 ZINC000590380616 345132442 /nfs/dbraw/zinc/13/24/42/345132442.db2.gz WVFWFSIYZRDCRI-AWEZNQCLSA-N 0 3 289.354 2.238 20 30 CEEDHN CC[C@@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)N(C)C ZINC000591185592 345229373 /nfs/dbraw/zinc/22/93/73/345229373.db2.gz UIXLDRMKTINBSW-ZFWWWQNUSA-N 0 3 265.401 2.305 20 30 CEEDHN C[C@]1(C#N)CCCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000591359656 345244443 /nfs/dbraw/zinc/24/44/43/345244443.db2.gz BEKNIXRXVGXMQF-GOEBONIOSA-N 0 3 286.379 2.022 20 30 CEEDHN N#C[C@]1(F)CCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000590956981 345204918 /nfs/dbraw/zinc/20/49/18/345204918.db2.gz DMNZVNHHDKETGF-HZPDHXFCSA-N 0 3 273.355 2.198 20 30 CEEDHN N#CC1(CCCN2CCC[C@@H]3COC[C@@H]32)CCOCC1 ZINC000590971780 345207803 /nfs/dbraw/zinc/20/78/03/345207803.db2.gz LLNVWQCZUCFZMI-CABCVRRESA-N 0 3 278.396 2.198 20 30 CEEDHN N#Cc1cc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)ccn1 ZINC000590972639 345208398 /nfs/dbraw/zinc/20/83/98/345208398.db2.gz JVXDNPLYXXWRIG-DLBZAZTESA-N 0 3 285.391 2.326 20 30 CEEDHN CC(C)N(Cc1ccc(C(C)(C)C#N)cc1)C[C@H](O)CO ZINC000591479465 345261384 /nfs/dbraw/zinc/26/13/84/345261384.db2.gz QDSWMARKCIJOMV-INIZCTEOSA-N 0 3 290.407 2.051 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)CCCCCC#N ZINC000591525507 345263098 /nfs/dbraw/zinc/26/30/98/345263098.db2.gz ILJFVDZKPVLZKR-CYBMUJFWSA-N 0 3 251.374 2.013 20 30 CEEDHN CC[C@H](NCc1ccncc1C#N)C1CCOCC1 ZINC000592096696 345321296 /nfs/dbraw/zinc/32/12/96/345321296.db2.gz CCBMGLMHMLFCHF-HNNXBMFYSA-N 0 3 259.353 2.248 20 30 CEEDHN C[C@H]1c2ccc(F)cc2CCN1C(=O)[C@@H](N)CCCC#N ZINC000591616928 345270318 /nfs/dbraw/zinc/27/03/18/345270318.db2.gz YAJFYFHCNOVTSG-NHYWBVRUSA-N 0 3 289.354 2.293 20 30 CEEDHN N#Cc1cnn2cc(CN3CC[C@H](c4ccco4)C3)cnc12 ZINC000592501076 345360927 /nfs/dbraw/zinc/36/09/27/345360927.db2.gz LTEKVMPWKJMCRH-ZDUSSCGKSA-N 0 3 293.330 2.183 20 30 CEEDHN COc1ccc([C@H](C)CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592522481 345365418 /nfs/dbraw/zinc/36/54/18/345365418.db2.gz NPVUVRBLOAOWML-CJNGLKHVSA-N 0 3 274.364 2.149 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1C1CCC1 ZINC000592569747 345370115 /nfs/dbraw/zinc/37/01/15/345370115.db2.gz CRSIMVJXOPDHCU-ZIAGYGMSSA-N 0 3 263.385 2.189 20 30 CEEDHN N#CC[C@]1(O)CCN(CCCCOc2ccccc2)C1 ZINC000592151811 345330872 /nfs/dbraw/zinc/33/08/72/345330872.db2.gz ROBTWTQQJLTMEG-INIZCTEOSA-N 0 3 274.364 2.196 20 30 CEEDHN CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000592997672 345420510 /nfs/dbraw/zinc/42/05/10/345420510.db2.gz HGDHWNPLHFFRCV-ZDUSSCGKSA-N 0 3 289.335 2.325 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000593022601 345424902 /nfs/dbraw/zinc/42/49/02/345424902.db2.gz ICCKMKGDLJXFQA-OLZOCXBDSA-N 0 3 273.384 2.485 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592827944 345401173 /nfs/dbraw/zinc/40/11/73/345401173.db2.gz IXGVVTRFRZBSJM-CZUORRHYSA-N 0 3 286.375 2.336 20 30 CEEDHN CCC(C#N)C(=O)N[C@@](CC)(C(=O)OC)c1ccccc1 ZINC000593455214 345489980 /nfs/dbraw/zinc/48/99/80/345489980.db2.gz APRJIXFDLJBYCD-MLGOLLRUSA-N 0 3 288.347 2.131 20 30 CEEDHN CCN(CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000057757711 362595422 /nfs/dbraw/zinc/59/54/22/362595422.db2.gz FHGLOUBCRAYVMH-AWEZNQCLSA-N 0 3 255.321 2.109 20 30 CEEDHN N#CCCCOc1cccc(CN[C@H](CO)CCF)c1 ZINC000593690349 345521556 /nfs/dbraw/zinc/52/15/56/345521556.db2.gz XZMVTMJLROHHTR-AWEZNQCLSA-N 0 3 280.343 2.179 20 30 CEEDHN CCC(C#N)C(=O)N1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000593746821 345532187 /nfs/dbraw/zinc/53/21/87/345532187.db2.gz GFBFSCNQDXQRAF-UPJWGTAASA-N 0 3 294.395 2.362 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@](C)(c2cccc(F)c2)C1 ZINC000593760908 345533602 /nfs/dbraw/zinc/53/36/02/345533602.db2.gz FNFRDEBARYJWAC-ABAIWWIYSA-N 0 3 260.312 2.475 20 30 CEEDHN COCCN(Cc1ccc(C#N)cn1)C1CCCC1 ZINC000593947409 345554871 /nfs/dbraw/zinc/55/48/71/345554871.db2.gz KIGQZJDAXDXQKM-UHFFFAOYSA-N 0 3 259.353 2.344 20 30 CEEDHN CC(C)(C#N)CCN1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000593992912 345561292 /nfs/dbraw/zinc/56/12/92/345561292.db2.gz GQNBPGHNCNNDHE-CYBMUJFWSA-N 0 3 277.412 2.163 20 30 CEEDHN CN1CCN(Cc2ccnc(C#N)c2)CC12CCCCC2 ZINC000593998309 345563388 /nfs/dbraw/zinc/56/33/88/345563388.db2.gz WZQJWDZALVDBGU-UHFFFAOYSA-N 0 3 284.407 2.404 20 30 CEEDHN N#CCc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000594194975 345596810 /nfs/dbraw/zinc/59/68/10/345596810.db2.gz BTAOTPLBVFAYJF-SJORKVTESA-N 0 3 297.402 2.499 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594282928 345608244 /nfs/dbraw/zinc/60/82/44/345608244.db2.gz CCLXPVHWODWVJS-ZIAGYGMSSA-N 0 3 292.427 2.194 20 30 CEEDHN COc1ccccc1CN(C)C(=O)[C@@H](N)CCCCC#N ZINC000594425710 345625559 /nfs/dbraw/zinc/62/55/59/345625559.db2.gz LXKLHIXNVGKNSH-AWEZNQCLSA-N 0 3 289.379 2.065 20 30 CEEDHN Cc1c(F)cccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594426353 345626301 /nfs/dbraw/zinc/62/63/01/345626301.db2.gz CIEFYTXKUYHOLP-LBPRGKRZSA-N 0 3 263.316 2.484 20 30 CEEDHN Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)c(F)c1 ZINC000594427900 345627482 /nfs/dbraw/zinc/62/74/82/345627482.db2.gz WYOIXCJNNTWZMT-LBPRGKRZSA-N 0 3 263.316 2.484 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCC1CCCCC1 ZINC000594430041 345627823 /nfs/dbraw/zinc/62/78/23/345627823.db2.gz XMZRWMFKOIHVBE-AWEZNQCLSA-N 0 3 265.401 2.484 20 30 CEEDHN CC(C)N(CC1CC1)C(=O)[C@@H](N)CCCCC#N ZINC000594429143 345628011 /nfs/dbraw/zinc/62/80/11/345628011.db2.gz RAGDJVOOEXSITD-ZDUSSCGKSA-N 0 3 251.374 2.045 20 30 CEEDHN CC(C)[C@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC000594429108 345628143 /nfs/dbraw/zinc/62/81/43/345628143.db2.gz QVJWLTGPSMGQMX-CHWSQXEVSA-N 0 3 251.374 2.045 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000594430360 345628403 /nfs/dbraw/zinc/62/84/03/345628403.db2.gz ZYNYRGTWXVMTNB-SOUVJXGZSA-N 0 3 271.364 2.070 20 30 CEEDHN CC(C)C[C@@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594433510 345629244 /nfs/dbraw/zinc/62/92/44/345629244.db2.gz FZKSERNPGZRELI-KBPBESRZSA-N 0 3 265.401 2.292 20 30 CEEDHN C[C@H]1CN(C(=O)[C@H](N)CCCCC#N)c2ccccc2O1 ZINC000594433127 345629260 /nfs/dbraw/zinc/62/92/60/345629260.db2.gz CBESNTWFKYXDIU-QWHCGFSZSA-N 0 3 287.363 2.212 20 30 CEEDHN CC(C)N(C(=O)[C@H](N)CCCCC#N)C1CCC1 ZINC000594434143 345629375 /nfs/dbraw/zinc/62/93/75/345629375.db2.gz WTJUFPUZPUCWJP-CYBMUJFWSA-N 0 3 251.374 2.187 20 30 CEEDHN CCC[C@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594433773 345629422 /nfs/dbraw/zinc/62/94/22/345629422.db2.gz SJBUUQGGJJETPY-KBPBESRZSA-N 0 3 265.401 2.436 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CC12CCCCC2 ZINC000594435902 345629974 /nfs/dbraw/zinc/62/99/74/345629974.db2.gz GFFHBJFFCKUVSY-OLZOCXBDSA-N 0 3 263.385 2.237 20 30 CEEDHN CCc1nc([C@@H](C)NC(=O)[C@@H](N)CCCCC#N)cs1 ZINC000594437037 345630828 /nfs/dbraw/zinc/63/08/28/345630828.db2.gz HPDXAROKPRRNDR-MNOVXSKESA-N 0 3 294.424 2.294 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1C1CCC1 ZINC000594439854 345631597 /nfs/dbraw/zinc/63/15/97/345631597.db2.gz RMVGEFWRLZVREP-ZIAGYGMSSA-N 0 3 263.385 2.189 20 30 CEEDHN C[C@@H]1C[C@H](C)CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594443724 345632132 /nfs/dbraw/zinc/63/21/32/345632132.db2.gz SMPDHIPGKFKZSF-MCIONIFRSA-N 0 3 265.401 2.292 20 30 CEEDHN C[C@H](N(C)C(=O)[C@@H](N)CCCCC#N)C1(C)CC1 ZINC000594445630 345632544 /nfs/dbraw/zinc/63/25/44/345632544.db2.gz JIPWESSBTGFGRI-RYUDHWBXSA-N 0 3 251.374 2.045 20 30 CEEDHN C[C@@H]1CC[C@H](C)N(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594447016 345632924 /nfs/dbraw/zinc/63/29/24/345632924.db2.gz RRWATMPTIOSJOK-AGIUHOORSA-N 0 3 251.374 2.045 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@H]1CC2CCC1CC2 ZINC000594449285 345633855 /nfs/dbraw/zinc/63/38/55/345633855.db2.gz FBWOPGSUAFLJQW-NEXFUWMNSA-N 0 3 277.412 2.340 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000594450078 345634185 /nfs/dbraw/zinc/63/41/85/345634185.db2.gz SZATVOTUKZYHCA-LZWOXQAQSA-N 0 3 289.354 2.151 20 30 CEEDHN COCC[C@H]1CCCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594457320 345635418 /nfs/dbraw/zinc/63/54/18/345635418.db2.gz YFEKBAYHGDNSOB-CABCVRRESA-N 0 3 295.427 2.063 20 30 CEEDHN CN(C)CCN(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606912 345659736 /nfs/dbraw/zinc/65/97/36/345659736.db2.gz NSMWDAJMFHHSDB-UHFFFAOYSA-N 0 3 259.397 2.481 20 30 CEEDHN CC[C@@H](NCc1cnc2c(C#N)cnn2c1)[C@@H]1CCCCO1 ZINC000594611047 345661164 /nfs/dbraw/zinc/66/11/64/345661164.db2.gz LGGDAOQNNMZUDY-CABCVRRESA-N 0 3 299.378 2.038 20 30 CEEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)C(=O)N(C)C ZINC000594504725 345639630 /nfs/dbraw/zinc/63/96/30/345639630.db2.gz UTBXNRXIKBXKKH-LBPRGKRZSA-N 0 3 273.380 2.054 20 30 CEEDHN CC[C@@H](C)CCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000594710933 345676448 /nfs/dbraw/zinc/67/64/48/345676448.db2.gz JVCZFIKHKITWHL-RISCZKNCSA-N 0 3 259.353 2.110 20 30 CEEDHN N#C[C@H](c1ccccc1)N1CC[C@H](N2CCCC2)C1 ZINC000595308076 345759258 /nfs/dbraw/zinc/75/92/58/345759258.db2.gz YUDJLGCMEHTLSA-JKSUJKDBSA-N 0 3 255.365 2.421 20 30 CEEDHN N#Cc1ccc(NC(=O)N2CC[C@@H](F)[C@H](N)C2)c(Cl)c1 ZINC000595243353 345747148 /nfs/dbraw/zinc/74/71/48/345747148.db2.gz YYDVMNHDZIKKSE-GHMZBOCLSA-N 0 3 296.733 2.115 20 30 CEEDHN CCOc1ccc(NC(=O)[C@@H](N)CCCCC#N)nc1C ZINC000595258640 345750287 /nfs/dbraw/zinc/75/02/87/345750287.db2.gz DVDKXSOERMMDID-LBPRGKRZSA-N 0 3 290.367 2.139 20 30 CEEDHN CO[C@H](CN(C)Cc1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000595289925 345755251 /nfs/dbraw/zinc/75/52/51/345755251.db2.gz RLEHHMNPMGIWQG-HZPDHXFCSA-N 0 3 274.364 2.042 20 30 CEEDHN C=CCSCCNCc1ccnn1CC1CC1 ZINC000594921705 345702608 /nfs/dbraw/zinc/70/26/08/345702608.db2.gz RMIJKPIVJJIFKV-UHFFFAOYSA-N 0 3 251.399 2.302 20 30 CEEDHN Cc1ncc(CN[C@@H]2CCc3cc(C#N)ccc32)n1C ZINC000594939531 345710615 /nfs/dbraw/zinc/71/06/15/345710615.db2.gz SBAXJKZQJSYZKN-MRXNPFEDSA-N 0 3 266.348 2.377 20 30 CEEDHN C[C@H](C[S@@](C)=O)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594943804 345712257 /nfs/dbraw/zinc/71/22/57/345712257.db2.gz QDKAUOQNWCEXFJ-CWTRNNRKSA-N 0 3 276.405 2.098 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNCc1cnc2ccc(C#N)cn12 ZINC000594959348 345716510 /nfs/dbraw/zinc/71/65/10/345716510.db2.gz CLPZWSBRGPJQJJ-AWEZNQCLSA-N 0 3 297.406 2.168 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595034265 345731575 /nfs/dbraw/zinc/73/15/75/345731575.db2.gz UASTZDHFAXDQQR-MNOVXSKESA-N 0 3 280.324 2.191 20 30 CEEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)[C@@H]1CCOC1 ZINC000595059635 345736488 /nfs/dbraw/zinc/73/64/88/345736488.db2.gz HCRAANXMKRFPPY-DJSGYFEHSA-N 0 3 292.354 2.399 20 30 CEEDHN 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293.411 2.043 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H]3COC[C@H]3C2)cc1F ZINC000595830920 345889763 /nfs/dbraw/zinc/88/97/63/345889763.db2.gz MYQUHYXFIWLUGK-UONOGXRCSA-N 0 3 260.312 2.166 20 30 CEEDHN CC(C)(C#N)c1ccc(CN2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000595759512 345869365 /nfs/dbraw/zinc/86/93/65/345869365.db2.gz WBNUPHQNXWSCCT-DOTOQJQBSA-N 0 3 270.376 2.444 20 30 CEEDHN C=CCN(CC(=O)N[C@](C)(C#N)C(C)C)C(C)(C)C ZINC000595764302 345870157 /nfs/dbraw/zinc/87/01/57/345870157.db2.gz ZMVPCDVLZGHKFN-OAHLLOKOSA-N 0 3 265.401 2.327 20 30 CEEDHN Cn1cc(C[C@@H]2CCC[C@H]2NCC2(C#N)CC2)cn1 ZINC000595768727 345871800 /nfs/dbraw/zinc/87/18/00/345871800.db2.gz GQUVIILWPXDRQL-UONOGXRCSA-N 0 3 258.369 2.025 20 30 CEEDHN CC[NH+](CC)CCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596055366 345929030 /nfs/dbraw/zinc/92/90/30/345929030.db2.gz GRXGVFHWIMWLPN-UHFFFAOYSA-N 0 3 272.805 2.234 20 30 CEEDHN N#Cc1cnnc(NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000596054334 345929043 /nfs/dbraw/zinc/92/90/43/345929043.db2.gz RDJGKTVLQHDLSG-ZDUSSCGKSA-N 0 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0 3 293.374 2.176 20 30 CEEDHN Cn1ncc(C#N)c1NC[C@@H]1CCCN1Cc1ccccc1 ZINC000596129922 345946312 /nfs/dbraw/zinc/94/63/12/345946312.db2.gz SLIZBXDZXSNKMI-INIZCTEOSA-N 0 3 295.390 2.368 20 30 CEEDHN Cc1ccc(C#N)nc1N1CC[C@]2(C1)CCCN(C)C2 ZINC000596243973 345978655 /nfs/dbraw/zinc/97/86/55/345978655.db2.gz MXQUTXUCXOQNON-MRXNPFEDSA-N 0 3 270.380 2.184 20 30 CEEDHN CN(CCNC(=O)CC1(C#N)CCCCC1)C1CC1 ZINC000596923839 346106130 /nfs/dbraw/zinc/10/61/30/346106130.db2.gz WRWTXJYPSNRVBY-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000596789558 346090447 /nfs/dbraw/zinc/09/04/47/346090447.db2.gz UJCIGOYSXRWFJK-GDBMZVCRSA-N 0 3 285.391 2.317 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)Nc2cccc(CC#N)c2)C1 ZINC000596926811 346106712 /nfs/dbraw/zinc/10/67/12/346106712.db2.gz YZACPIFXWKMVBP-OAHLLOKOSA-N 0 3 286.379 2.358 20 30 CEEDHN COCC1(NCc2cnc3ccc(C#N)cn23)CCCC1 ZINC000597178420 346141803 /nfs/dbraw/zinc/14/18/03/346141803.db2.gz SWLKBJYWIZRNKJ-UHFFFAOYSA-N 0 3 284.363 2.255 20 30 CEEDHN C[C@@]1(O)CCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597026571 346116875 /nfs/dbraw/zinc/11/68/75/346116875.db2.gz OOHQMVLXJWZQKM-OAHLLOKOSA-N 0 3 256.349 2.198 20 30 CEEDHN C[C@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CC[C@H]1O ZINC000597091375 346128223 /nfs/dbraw/zinc/12/82/23/346128223.db2.gz DKAJZHVEGBEJLE-XJKSGUPXSA-N 0 3 270.376 2.444 20 30 CEEDHN C=CC[C@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000597189214 346144383 /nfs/dbraw/zinc/14/43/83/346144383.db2.gz ZXKQRBLZVYIQQX-ZDUSSCGKSA-N 0 3 281.363 2.389 20 30 CEEDHN COc1cc(CN2C[C@H](C)C(O)[C@@H](C)C2)ccc1C#N ZINC000597203952 346148089 /nfs/dbraw/zinc/14/80/89/346148089.db2.gz AWDZNARQVGAMMA-RYUDHWBXSA-N 0 3 274.364 2.016 20 30 CEEDHN C[C@@H](CC#N)C(=O)N(CCN(C)C)C1CCCCC1 ZINC000597209169 346149197 /nfs/dbraw/zinc/14/91/97/346149197.db2.gz QABXZXJMMOERDB-ZDUSSCGKSA-N 0 3 265.401 2.259 20 30 CEEDHN CC1(C)C[C@@]1(C)NCc1cnc2ccc(C#N)cn12 ZINC000597229647 346155499 /nfs/dbraw/zinc/15/54/99/346155499.db2.gz HPPJIONPROMXOY-OAHLLOKOSA-N 0 3 254.337 2.484 20 30 CEEDHN C[C@H](CC#N)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000597389479 346179983 /nfs/dbraw/zinc/17/99/83/346179983.db2.gz JRRIBIJDJLILFW-GDBMZVCRSA-N 0 3 285.391 2.269 20 30 CEEDHN C[C@@H](C(=O)NCCc1ccc(C#N)cc1)N1CCCCCC1 ZINC000597890633 346246143 /nfs/dbraw/zinc/24/61/43/346246143.db2.gz GGDMHKDCYBXEFN-HNNXBMFYSA-N 0 3 299.418 2.481 20 30 CEEDHN CC[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)N(CC)CC ZINC000597910300 346251048 /nfs/dbraw/zinc/25/10/48/346251048.db2.gz YMMNPFQNIZGTDL-KBPBESRZSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCCSCCNC(=O)[C@H]1CCCN1CCC ZINC000597972479 346260764 /nfs/dbraw/zinc/26/07/64/346260764.db2.gz SPPDPCWFBQWKGM-CYBMUJFWSA-N 0 3 270.442 2.286 20 30 CEEDHN C[C@@H]1CCN(CC(=O)NC(C)(C)c2cccc(C#N)c2)C1 ZINC000597954741 346257888 /nfs/dbraw/zinc/25/78/88/346257888.db2.gz KQPGXHBZAHQSJA-CYBMUJFWSA-N 0 3 285.391 2.251 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1(CO)CC1 ZINC000598035923 346272709 /nfs/dbraw/zinc/27/27/09/346272709.db2.gz 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/nfs/dbraw/zinc/35/22/76/346352276.db2.gz VHGGSOVZCKNOMC-ZBFHGGJFSA-N 0 3 277.412 2.259 20 30 CEEDHN N#C[C@H]1CCC[C@@H]1NC1CCN(c2ccccn2)CC1 ZINC000061892055 362697640 /nfs/dbraw/zinc/69/76/40/362697640.db2.gz YRRDXCPWNOVEEI-HIFRSBDPSA-N 0 3 270.380 2.332 20 30 CEEDHN CCN(C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)[C@H](C)C#N ZINC000598356694 346336758 /nfs/dbraw/zinc/33/67/58/346336758.db2.gz VGLACTNCEBQMDT-XQHKEYJVSA-N 0 3 251.374 2.008 20 30 CEEDHN CC[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)C[C@H](C)N1 ZINC000598531064 346371399 /nfs/dbraw/zinc/37/13/99/346371399.db2.gz FKXUZEDXJGYXEW-UONOGXRCSA-N 0 3 277.412 2.449 20 30 CEEDHN Cc1cc([C@H]2CCCN2C[C@H](O)CC(C)(C)C#N)on1 ZINC000598585999 346377416 /nfs/dbraw/zinc/37/74/16/346377416.db2.gz NAFLFLZOZTZAMI-CHWSQXEVSA-N 0 3 277.368 2.421 20 30 CEEDHN Cn1cncc1[C@H]1CCCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598589178 346378702 /nfs/dbraw/zinc/37/87/02/346378702.db2.gz DVOPHFRDKPZPMR-UONOGXRCSA-N 0 3 290.411 2.248 20 30 CEEDHN CN(CCOCc1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598593847 346380414 /nfs/dbraw/zinc/38/04/14/346380414.db2.gz XFAFFTCNJAYEJN-MRXNPFEDSA-N 0 3 290.407 2.436 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN[C@@H](CCO)c1ccccc1 ZINC000598603714 346382664 /nfs/dbraw/zinc/38/26/64/346382664.db2.gz ZDHWRWRLXXELGT-GJZGRUSLSA-N 0 3 276.380 2.000 20 30 CEEDHN Cn1cc([C@H]2CCCCN2C[C@@H](O)CC(C)(C)C#N)cn1 ZINC000598613472 346384138 /nfs/dbraw/zinc/38/41/38/346384138.db2.gz ICJCUXGTNPSEHA-LSDHHAIUSA-N 0 3 290.411 2.248 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@@H](c2cccnc2)C1 ZINC000598624688 346387141 /nfs/dbraw/zinc/38/71/41/346387141.db2.gz LIDHBCBQCFBMEY-CABCVRRESA-N 0 3 273.380 2.172 20 30 CEEDHN C[C@@H]1COC2(CCCC2)CN1C[C@H](O)CC(C)(C)C#N ZINC000598626798 346387842 /nfs/dbraw/zinc/38/78/42/346387842.db2.gz ACTRSYQIBYKUPZ-ZIAGYGMSSA-N 0 3 280.412 2.321 20 30 CEEDHN CC(=O)Nc1ccc(CNC[C@H](O)CC(C)(C)C#N)cc1 ZINC000598714919 346406081 /nfs/dbraw/zinc/40/60/81/346406081.db2.gz KMGMOOJGTDCZLE-OAHLLOKOSA-N 0 3 289.379 2.035 20 30 CEEDHN CC(=O)N1CC[C@@H](NCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000598649588 346393015 /nfs/dbraw/zinc/39/30/15/346393015.db2.gz PLAAHTUWIXPCPF-MRXNPFEDSA-N 0 3 285.391 2.198 20 30 CEEDHN CCCCn1cc(CNC[C@H](O)CC(C)(C)C#N)c(C)n1 ZINC000598725243 346409275 /nfs/dbraw/zinc/40/92/75/346409275.db2.gz WLNOIWUUEDPSMB-OAHLLOKOSA-N 0 3 292.427 2.382 20 30 CEEDHN Cc1ccc(CNC[C@H](O)CC(C)(C)C#N)nc1C ZINC000598727483 346410228 /nfs/dbraw/zinc/41/02/28/346410228.db2.gz ISMUDZDFKJXDIN-CQSZACIVSA-N 0 3 261.369 2.089 20 30 CEEDHN C[C@H](O)[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1F ZINC000598729844 346410957 /nfs/dbraw/zinc/41/09/57/346410957.db2.gz NSHJFAWUAUIIES-YWPYICTPSA-N 0 3 294.370 2.138 20 30 CEEDHN COC(=O)CC1(NCc2ccc(C)c(C#N)c2)CCC1 ZINC000599352415 346504852 /nfs/dbraw/zinc/50/48/52/346504852.db2.gz AMOHIDATNMBXPI-UHFFFAOYSA-N 0 3 272.348 2.442 20 30 CEEDHN Cn1cc([C@H](NC[C@H](O)CC2(C#N)CC2)C(C)(C)C)cn1 ZINC000599355349 346505651 /nfs/dbraw/zinc/50/56/51/346505651.db2.gz ZCPXXBMBYPJIPT-KGLIPLIRSA-N 0 3 290.411 2.152 20 30 CEEDHN COCC[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccco1 ZINC000599358888 346506052 /nfs/dbraw/zinc/50/60/52/346506052.db2.gz IENKHTGFPZFNJU-STQMWFEESA-N 0 3 278.352 2.002 20 30 CEEDHN Cc1ccc(CN(C)[C@H](C)CN2CCOCC2)cc1C#N ZINC000599395425 346512989 /nfs/dbraw/zinc/51/29/89/346512989.db2.gz JSIPBQHUSWISIV-OAHLLOKOSA-N 0 3 287.407 2.019 20 30 CEEDHN Cc1ccc(CN(C[C@@H]2CCC(=O)N2)C(C)C)cc1C#N ZINC000599436370 346519358 /nfs/dbraw/zinc/51/93/58/346519358.db2.gz JNLWUVVMYYCUFV-INIZCTEOSA-N 0 3 285.391 2.356 20 30 CEEDHN Cc1occc1CN(C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599270816 346488602 /nfs/dbraw/zinc/48/86/02/346488602.db2.gz QUAUGWWVNCGJMU-HNNXBMFYSA-N 0 3 292.379 2.091 20 30 CEEDHN CC(C)[C@H](O)CN1CCc2c(CC#N)cccc2C1 ZINC000599677324 346562311 /nfs/dbraw/zinc/56/23/11/346562311.db2.gz FBEZMARINBCRJP-MRXNPFEDSA-N 0 3 258.365 2.128 20 30 CEEDHN N#CCc1cccc2c1CCN(CCC1(O)CCC1)C2 ZINC000599677450 346562620 /nfs/dbraw/zinc/56/26/20/346562620.db2.gz HGRQTWKLXPEWKJ-UHFFFAOYSA-N 0 3 270.376 2.416 20 30 CEEDHN N#Cc1cccc(CNC[C@H](O)CCc2ccccc2)n1 ZINC000602609091 347100456 /nfs/dbraw/zinc/10/04/56/347100456.db2.gz RFJKGSAFSTXHML-QGZVFWFLSA-N 0 3 281.359 2.037 20 30 CEEDHN CC(=O)NC[C@H]1CCCCN1CCCC(C)(C)C#N ZINC000599705528 346572970 /nfs/dbraw/zinc/57/29/70/346572970.db2.gz WXERIVYTXABFCY-CQSZACIVSA-N 0 3 265.401 2.307 20 30 CEEDHN CCC(C#N)C(=O)N[C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000600288759 346631132 /nfs/dbraw/zinc/63/11/32/346631132.db2.gz XKNKRZMZKPECDD-XHDPSFHLSA-N 0 3 280.368 2.164 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC2(C1)CCCO2 ZINC000600315230 346634092 /nfs/dbraw/zinc/63/40/92/346634092.db2.gz ZFWUMIIHRRAOCA-HNNXBMFYSA-N 0 3 284.359 2.150 20 30 CEEDHN N#CC1(C[C@@H](O)CNCc2ccccc2Cl)CC1 ZINC000600715499 346676576 /nfs/dbraw/zinc/67/65/76/346676576.db2.gz ZDQUAYHPNUWHCK-GFCCVEGCSA-N 0 3 264.756 2.484 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@H]2CCc3ccc(F)cc32)CC1 ZINC000600719662 346677754 /nfs/dbraw/zinc/67/77/54/346677754.db2.gz DQSVHOITRNIDKD-HIFRSBDPSA-N 0 3 274.339 2.457 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@H]2CCc3c2cccc3F)CC1 ZINC000600721752 346678434 /nfs/dbraw/zinc/67/84/34/346678434.db2.gz WWUWDGLLQFPANP-ABAIWWIYSA-N 0 3 274.339 2.457 20 30 CEEDHN N#Cc1ccc(-c2ccc([C@@H]3CNCCO3)cc2)c(CO)c1 ZINC000600780361 346689365 /nfs/dbraw/zinc/68/93/65/346689365.db2.gz LMFKZSPIIPFKIB-SFHVURJKSA-N 0 3 294.354 2.378 20 30 CEEDHN N#Cc1c(F)cccc1-c1ccc(N2CCNCC2)nc1 ZINC000600788905 346690905 /nfs/dbraw/zinc/69/09/05/346690905.db2.gz BMFYLJXJEGFZBG-UHFFFAOYSA-N 0 3 282.322 2.169 20 30 CEEDHN N#CCc1ccccc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000601123574 346759844 /nfs/dbraw/zinc/75/98/44/346759844.db2.gz FCWKWVMDKWJTJA-INIZCTEOSA-N 0 3 297.402 2.453 20 30 CEEDHN N#CC1(C(=O)N2CCC[C@H](N3CCCC3)C2)CC2(CC2)C1 ZINC000601124204 346761015 /nfs/dbraw/zinc/76/10/15/346761015.db2.gz OXIXRRCJFLCAGX-AWEZNQCLSA-N 0 3 287.407 2.157 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ncc(C#N)c2ccsc21 ZINC000601129651 346763211 /nfs/dbraw/zinc/76/32/11/346763211.db2.gz VQIGTYLLGJYGMR-HZMBPMFUSA-N 0 3 298.415 2.484 20 30 CEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C1(C#N)CC2(CC2)C1 ZINC000601011007 346731610 /nfs/dbraw/zinc/73/16/10/346731610.db2.gz MFHZJZXASCXLOM-UONOGXRCSA-N 0 3 289.423 2.307 20 30 CEEDHN CCN1CCC(N(C)c2cc(C#N)nc(C3CC3)n2)CC1 ZINC000601103080 346753223 /nfs/dbraw/zinc/75/32/23/346753223.db2.gz NFVVZGVFFIOQFM-UHFFFAOYSA-N 0 3 285.395 2.146 20 30 CEEDHN C=CCSCCNCc1c2c(nn1C)CCCC2 ZINC000601105127 346753842 /nfs/dbraw/zinc/75/38/42/346753842.db2.gz ALPYVIANUGKVKA-UHFFFAOYSA-N 0 3 265.426 2.308 20 30 CEEDHN C=CCc1cc(CN2CCC[C@](C)(O)C2)cc(OC)c1O ZINC000129462803 365860384 /nfs/dbraw/zinc/86/03/84/365860384.db2.gz CURGVROZLHWFBM-KRWDZBQOSA-N 0 3 291.391 2.476 20 30 CEEDHN C[C@H](CCC#N)CN1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000602643887 347119983 /nfs/dbraw/zinc/11/99/83/347119983.db2.gz OCIBIIKLPNLPJK-BARDWOONSA-N 0 3 266.385 2.195 20 30 CEEDHN CC(C)[C@@H](CO)[C@H](NCc1cccc(C#N)n1)C(C)C ZINC000602684671 347144583 /nfs/dbraw/zinc/14/45/83/347144583.db2.gz IKZYITPUUZYJOU-HZPDHXFCSA-N 0 3 275.396 2.332 20 30 CEEDHN CO[C@@H](CNCc1cccc(C#N)n1)C1CCCC1 ZINC000602718909 347169104 /nfs/dbraw/zinc/16/91/04/347169104.db2.gz SWYSADBFACCHCD-HNNXBMFYSA-N 0 3 259.353 2.248 20 30 CEEDHN COC[C@@H](CC(C)(C)C)NCc1cccc(C#N)n1 ZINC000602703768 347158354 /nfs/dbraw/zinc/15/83/54/347158354.db2.gz AJWXLCOZFASMSM-CQSZACIVSA-N 0 3 261.369 2.494 20 30 CEEDHN CC[C@H](NCc1cccc(C#N)n1)[C@H]1CCCCO1 ZINC000602706121 347161181 /nfs/dbraw/zinc/16/11/81/347161181.db2.gz AUXJKPNAGUIWQZ-LSDHHAIUSA-N 0 3 259.353 2.391 20 30 CEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1ccc(C#N)[nH]1 ZINC000295602287 199583196 /nfs/dbraw/zinc/58/31/96/199583196.db2.gz XEJFEMRRLUDVBL-AWEZNQCLSA-N 0 3 288.395 2.127 20 30 CEEDHN N#Cc1ccc(CN2CCC(NCc3ncc[nH]3)CC2)cc1 ZINC000602732166 347176286 /nfs/dbraw/zinc/17/62/86/347176286.db2.gz PFLHXWKHAVIUQA-UHFFFAOYSA-N 0 3 295.390 2.036 20 30 CEEDHN Cc1cc(CN2CC[C@@H](C)C[C@H]2CO)ccc1C#N ZINC000602932392 347251136 /nfs/dbraw/zinc/25/11/36/347251136.db2.gz WNMXSPZKVNDOOD-WBMJQRKESA-N 0 3 258.365 2.460 20 30 CEEDHN CC(C)N(CC#Cc1ccc(Cl)cc1)CCO ZINC000085861818 179190927 /nfs/dbraw/zinc/19/09/27/179190927.db2.gz QSEHOZHFVBDHIA-UHFFFAOYSA-N 0 3 251.757 2.394 20 30 CEEDHN CN1CCN(C[C@H](C#N)CCC#N)C[C@H]1C(C)(C)C ZINC000602873559 347233897 /nfs/dbraw/zinc/23/38/97/347233897.db2.gz KZCLECZZRJCNRN-KBPBESRZSA-N 0 3 262.401 2.092 20 30 CEEDHN CCN1[C@H](C)CN(CCOc2cccc(C#N)c2)C[C@@H]1C ZINC000602873725 347234177 /nfs/dbraw/zinc/23/41/77/347234177.db2.gz JSIOKAYEUBQBDM-GASCZTMLSA-N 0 3 287.407 2.352 20 30 CEEDHN CCN(C#N)CCNC(C)(C)c1cccc(C#N)c1 ZINC000602879016 347236031 /nfs/dbraw/zinc/23/60/31/347236031.db2.gz FBQIAPOAYFSGGG-UHFFFAOYSA-N 0 3 256.353 2.186 20 30 CEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccnc(C#N)c1 ZINC000603129881 347292690 /nfs/dbraw/zinc/29/26/90/347292690.db2.gz QFGSRGVOLZQESE-CABCVRRESA-N 0 3 299.378 2.044 20 30 CEEDHN CCN(CCC#N)C(=O)CN(C)C[C@@H](C)C(C)(C)C ZINC000603057086 347278268 /nfs/dbraw/zinc/27/82/68/347278268.db2.gz ZYMCGVKFNOCHTC-CYBMUJFWSA-N 0 3 267.417 2.363 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)Nc2cc(F)cc(C#N)c2)CCN1C ZINC000603079426 347282617 /nfs/dbraw/zinc/28/26/17/347282617.db2.gz TUQNBTWYNOKALY-GXFFZTMASA-N 0 3 290.342 2.302 20 30 CEEDHN CCN1CCN(c2ccc(C#N)cc2COC)C[C@H]1C ZINC000603326482 347338831 /nfs/dbraw/zinc/33/88/31/347338831.db2.gz NGZPDLABNQIVGM-CYBMUJFWSA-N 0 3 273.380 2.235 20 30 CEEDHN CCC[C@@H](N)c1cn([C@@H](C#N)c2ccccc2)nn1 ZINC000603220224 347312710 /nfs/dbraw/zinc/31/27/10/347312710.db2.gz FTRCOXWRXFJCQW-OCCSQVGLSA-N 0 3 255.325 2.191 20 30 CEEDHN CC[C@](C)(N)c1cn([C@H](C)c2cccc(C#N)c2)nn1 ZINC000603236347 347318592 /nfs/dbraw/zinc/31/85/92/347318592.db2.gz UGOOJAYPQJOZFI-ABAIWWIYSA-N 0 3 269.352 2.343 20 30 CEEDHN N#Cc1ccccc1CSCCNCc1cn[nH]c1 ZINC000604549799 347421316 /nfs/dbraw/zinc/42/13/16/347421316.db2.gz PSFHGPJUFXQZIE-UHFFFAOYSA-N 0 3 272.377 2.304 20 30 CEEDHN C[C@@H](N[C@H]1C[C@H](O)C1(C)C)c1ccc(OCC#N)cc1 ZINC000129624880 365879744 /nfs/dbraw/zinc/87/97/44/365879744.db2.gz VZUJXSMWZDFLOW-UGFHNGPFSA-N 0 3 274.364 2.399 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)c1ccc(CN(C)C)cc1 ZINC000129730404 365890641 /nfs/dbraw/zinc/89/06/41/365890641.db2.gz KKLXOBLRPJKJLR-ZDUSSCGKSA-N 0 3 273.380 2.370 20 30 CEEDHN C=CCCS(=O)(=O)NCCCN(C)Cc1ccccc1 ZINC000129796017 365895504 /nfs/dbraw/zinc/89/55/04/365895504.db2.gz SFMWTDLVTYGPPC-UHFFFAOYSA-N 0 3 296.436 2.004 20 30 CEEDHN C[C@@H]1C[C@H](C)N(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000610133332 347661890 /nfs/dbraw/zinc/66/18/90/347661890.db2.gz GCXFTSHLRBEKIL-KGLIPLIRSA-N 0 3 277.412 2.402 20 30 CEEDHN CN(C)C[C@@H]1CCCCN1C(=O)c1cccc(CC#N)c1 ZINC000609175266 347629981 /nfs/dbraw/zinc/62/99/81/347629981.db2.gz KFJMRMJHALGEER-INIZCTEOSA-N 0 3 285.391 2.309 20 30 CEEDHN COc1ccc(C)cc1CNC1CCN(CC#N)CC1 ZINC000609335081 347635548 /nfs/dbraw/zinc/63/55/48/347635548.db2.gz SPLXAIRNDBLGFD-UHFFFAOYSA-N 0 3 273.380 2.081 20 30 CEEDHN N#C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000609416142 347639153 /nfs/dbraw/zinc/63/91/53/347639153.db2.gz MXPOZZDEDPCRBG-KRWDZBQOSA-N 0 3 297.402 2.317 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000609843407 347652280 /nfs/dbraw/zinc/65/22/80/347652280.db2.gz COHXJTNDZZOCQT-AAEUAGOBSA-N 0 3 286.331 2.281 20 30 CEEDHN COc1cc(CNC(=O)C(C)C#N)ccc1OC(F)F ZINC000609920643 347655726 /nfs/dbraw/zinc/65/57/26/347655726.db2.gz XEJAKQQAUUSQSQ-MRVPVSSYSA-N 0 3 284.262 2.072 20 30 CEEDHN COC[C@@H]1CCCN1CCOc1ccccc1C#N ZINC000610605150 347695602 /nfs/dbraw/zinc/69/56/02/347695602.db2.gz NPVRJQDYKAUFNT-AWEZNQCLSA-N 0 3 260.337 2.048 20 30 CEEDHN COC[C@@H]1CCCN1CCOc1ccc(C#N)cc1OC ZINC000610605140 347695630 /nfs/dbraw/zinc/69/56/30/347695630.db2.gz MNRMXLOHULOTQK-AWEZNQCLSA-N 0 3 290.363 2.056 20 30 CEEDHN C=CCSCCNC(=O)N[C@@H](CC)CN1CCCC1 ZINC000610720105 347706418 /nfs/dbraw/zinc/70/64/18/347706418.db2.gz QYFGKBDGLXCEEF-ZDUSSCGKSA-N 0 3 285.457 2.079 20 30 CEEDHN N#CCN1CCC(NCc2cnc(C3CC3)s2)CC1 ZINC000610770670 347713280 /nfs/dbraw/zinc/71/32/80/347713280.db2.gz TVIIDMBJUBKGCT-UHFFFAOYSA-N 0 3 276.409 2.098 20 30 CEEDHN COc1ccc([C@@H](C)NC2CCN(CC#N)CC2)c(F)c1 ZINC000610813015 347716021 /nfs/dbraw/zinc/71/60/21/347716021.db2.gz VHIGGDUYTGPJBN-GFCCVEGCSA-N 0 3 291.370 2.473 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000611394663 347773512 /nfs/dbraw/zinc/77/35/12/347773512.db2.gz VSPWWHOXQQQQHU-PBHICJAKSA-N 0 3 295.386 2.289 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC(=O)N(C2CC2)C1 ZINC000611394666 347773603 /nfs/dbraw/zinc/77/36/03/347773603.db2.gz VSPWWHOXQQQQHU-YOEHRIQHSA-N 0 3 295.386 2.289 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc(C#N)cc1C ZINC000610970657 347725962 /nfs/dbraw/zinc/72/59/62/347725962.db2.gz FJIISNDJOXWUCT-HNNXBMFYSA-N 0 3 285.391 2.471 20 30 CEEDHN N#Cc1cc(CN2CCC[C@@]3(CCCOC3)C2)ccn1 ZINC000610993701 347728934 /nfs/dbraw/zinc/72/89/34/347728934.db2.gz CGIGPZCJASUSBF-MRXNPFEDSA-N 0 3 271.364 2.346 20 30 CEEDHN Cc1ncc([C@@H](C)NC2CCN(CC#N)CC2)s1 ZINC000611184015 347749415 /nfs/dbraw/zinc/74/94/15/347749415.db2.gz DFEJCJSDUXASNB-SNVBAGLBSA-N 0 3 264.398 2.090 20 30 CEEDHN CN(CCOc1cccc(C#N)c1)CC1=CCCOC1 ZINC000611268863 347761114 /nfs/dbraw/zinc/76/11/14/347761114.db2.gz FYLCOKPNSAYSSX-UHFFFAOYSA-N 0 3 272.348 2.216 20 30 CEEDHN CC(C)C[C@@H]1CCCN1CC(=O)N(CCC#N)CCC#N ZINC000130210021 365932131 /nfs/dbraw/zinc/93/21/31/365932131.db2.gz MTTZRJBLYVMHIN-HNNXBMFYSA-N 0 3 290.411 2.153 20 30 CEEDHN COC[C@H](NCc1cc(C#N)ccc1F)C1CCOCC1 ZINC000615087195 348279305 /nfs/dbraw/zinc/27/93/05/348279305.db2.gz MDPPKLNTYSGMIR-INIZCTEOSA-N 0 3 292.354 2.229 20 30 CEEDHN CC(C)OCC[C@H](O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000615973418 348422414 /nfs/dbraw/zinc/42/24/14/348422414.db2.gz JSAYKFDVDXXASN-BBRMVZONSA-N 0 3 276.380 2.385 20 30 CEEDHN CC(C)C1(NCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000339516342 215224897 /nfs/dbraw/zinc/22/48/97/215224897.db2.gz HYYOGDGGZHFCJT-UHFFFAOYSA-N 0 3 257.337 2.275 20 30 CEEDHN C=CCC1(NC(=O)CN2[C@H](C)CC[C@H]2C)CCOCC1 ZINC000618248053 348906155 /nfs/dbraw/zinc/90/61/55/348906155.db2.gz SJFSYHMJIUUOGD-ZIAGYGMSSA-N 0 3 280.412 2.101 20 30 CEEDHN CNc1cc2c(nn1)CCN(CCCCC(C)(C)C#N)C2 ZINC000618279976 348917407 /nfs/dbraw/zinc/91/74/07/348917407.db2.gz MFMBYKGMFBKRDQ-UHFFFAOYSA-N 0 3 287.411 2.018 20 30 CEEDHN C[C@@H]1CN(CCC(=O)Nc2sccc2C#N)[C@@H]1C ZINC000339563941 215245740 /nfs/dbraw/zinc/24/57/40/215245740.db2.gz NQYKLZIOPMGXTI-NXEZZACHSA-N 0 3 263.366 2.289 20 30 CEEDHN CC#CCCCC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000618984975 349085729 /nfs/dbraw/zinc/08/57/29/349085729.db2.gz BAUDSFKHCQUJTP-OAHLLOKOSA-N 0 3 264.413 2.417 20 30 CEEDHN N#Cc1cccc(OCCN[C@H](CO)c2ccsc2)c1 ZINC000352033987 219296298 /nfs/dbraw/zinc/29/62/98/219296298.db2.gz XKMOWDHTGXSCOQ-OAHLLOKOSA-N 0 3 288.372 2.322 20 30 CEEDHN C[S@@](=O)C1(CN[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000619674046 349215281 /nfs/dbraw/zinc/21/52/81/349215281.db2.gz VXHQLRNJFVOJAF-MGPUTAFESA-N 0 3 288.416 2.436 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000619673133 349215415 /nfs/dbraw/zinc/21/54/15/349215415.db2.gz YJJHGJLJFLMEGG-UMVBOHGHSA-N 0 3 275.396 2.202 20 30 CEEDHN CC1=CCCN(C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000619554181 349198588 /nfs/dbraw/zinc/19/85/88/349198588.db2.gz GAUUEXRUIHFPPA-MRXNPFEDSA-N 0 3 286.375 2.144 20 30 CEEDHN Cc1cc(CN2C[C@@H](C)N(C)[C@H](C)C2)ccc1C#N ZINC000339630909 215278718 /nfs/dbraw/zinc/27/87/18/215278718.db2.gz YLWMKKQZMZKKCX-ZIAGYGMSSA-N 0 3 257.381 2.391 20 30 CEEDHN C=CCCOCC(=O)Nc1cc(CN(C)C)ccc1OC ZINC000620237125 349326430 /nfs/dbraw/zinc/32/64/30/349326430.db2.gz VYMIQWYLVFZDRX-UHFFFAOYSA-N 0 3 292.379 2.288 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000623462388 350026256 /nfs/dbraw/zinc/02/62/56/350026256.db2.gz IPANCWRUGWTABA-HUUCEWRRSA-N 0 3 279.428 2.326 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000623726982 350094054 /nfs/dbraw/zinc/09/40/54/350094054.db2.gz IJOQJQLQUDUWPS-MJBXVCDLSA-N 0 3 265.401 2.077 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)C1 ZINC000624336459 350264302 /nfs/dbraw/zinc/26/43/02/350264302.db2.gz RPWIVWOFQGANQJ-KGLIPLIRSA-N 0 3 279.428 2.467 20 30 CEEDHN CC[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000091929550 180288596 /nfs/dbraw/zinc/28/85/96/180288596.db2.gz UEOZKSJGWNTVGB-GFCCVEGCSA-N 0 3 254.337 2.438 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@H]2CCCN2C)C1 ZINC000624577682 350318174 /nfs/dbraw/zinc/31/81/74/350318174.db2.gz ODGVRKKTMQUBJY-ZIAGYGMSSA-N 0 3 265.401 2.078 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C[C@@H]2C=CCC2)CC1 ZINC000106039065 186099390 /nfs/dbraw/zinc/09/93/90/186099390.db2.gz ZXORRCYFVDHABV-CQSZACIVSA-N 0 3 262.397 2.499 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cccc(C#N)c2)CC1 ZINC000106039247 186099478 /nfs/dbraw/zinc/09/94/78/186099478.db2.gz PRKRKEFOOWUWOC-UHFFFAOYSA-N 0 3 283.375 2.329 20 30 CEEDHN C=C(C)CN1CCC(NCc2cscn2)CC1 ZINC000106245159 186104923 /nfs/dbraw/zinc/10/49/23/186104923.db2.gz PTNJRNLWANCSCE-UHFFFAOYSA-N 0 3 251.399 2.273 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1=COCCC1)C(C)C ZINC000107779942 186190581 /nfs/dbraw/zinc/19/05/81/186190581.db2.gz HSYKTNMITJLTST-INIZCTEOSA-N 0 3 292.423 2.496 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)NCCC(C)(C)C)C1 ZINC000625699885 350549394 /nfs/dbraw/zinc/54/93/94/350549394.db2.gz DKMKYGDPDRFCGV-CYBMUJFWSA-N 0 3 252.402 2.437 20 30 CEEDHN C=CC[C@H]1CCN(Cc2cc(=O)n3cccc(C)c3n2)C1 ZINC000625702472 350550712 /nfs/dbraw/zinc/55/07/12/350550712.db2.gz GNZDHGFLAUFVHS-AWEZNQCLSA-N 0 3 283.375 2.401 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)N(C)Cc2ccco2)C1 ZINC000625705032 350551783 /nfs/dbraw/zinc/55/17/83/350551783.db2.gz WRYIYEGCPSWXHF-CYBMUJFWSA-N 0 3 262.353 2.136 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2cccc(N)c2C)CC1 ZINC000625920206 350602625 /nfs/dbraw/zinc/60/26/25/350602625.db2.gz TYFYYBNLGDYKNX-UHFFFAOYSA-N 0 3 288.395 2.349 20 30 CEEDHN N#Cc1cccc(OCCN2CCC(n3cccn3)CC2)c1 ZINC000109006752 186239940 /nfs/dbraw/zinc/23/99/40/186239940.db2.gz AMTUHJWMWZFXMM-UHFFFAOYSA-N 0 3 296.374 2.471 20 30 CEEDHN C=CCNC(=O)CN(C)C[C@@H](C)C1CCCCC1 ZINC000625986385 350621048 /nfs/dbraw/zinc/62/10/48/350621048.db2.gz HAUVBHIJPGQOOA-CYBMUJFWSA-N 0 3 252.402 2.437 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000110250429 186289115 /nfs/dbraw/zinc/28/91/15/186289115.db2.gz UKNXZWMCIZUUOX-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@H](O)CN(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000130741778 365985796 /nfs/dbraw/zinc/98/57/96/365985796.db2.gz CNMPYQUCYFICQB-AWEZNQCLSA-N 0 3 298.390 2.276 20 30 CEEDHN C=CCOc1c(Cl)cc(CN(C)CCO)cc1OC ZINC000628118802 350967881 /nfs/dbraw/zinc/96/78/81/350967881.db2.gz LHBBUCCXMGCGLE-UHFFFAOYSA-N 0 3 285.771 2.338 20 30 CEEDHN N#Cc1ccc(CNC[C@@H]2COC3(CCCC3)O2)cc1 ZINC000271427264 191131256 /nfs/dbraw/zinc/13/12/56/191131256.db2.gz NKOIHMNKWDSNIX-OAHLLOKOSA-N 0 3 272.348 2.334 20 30 CEEDHN C=CCN(CC(=O)NC[C@@H]1CCCO1)CC1CCCCC1 ZINC000070015765 363020490 /nfs/dbraw/zinc/02/04/90/363020490.db2.gz QAWQJWYTMBSTAP-INIZCTEOSA-N 0 3 294.439 2.350 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)Cc1ccc(C#N)cc1 ZINC000070159123 363039791 /nfs/dbraw/zinc/03/97/91/363039791.db2.gz JOAROXYOPLIFRW-INIZCTEOSA-N 0 3 287.407 2.193 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@@H]1C)C(C)C ZINC000249047146 539816090 /nfs/dbraw/zinc/81/60/90/539816090.db2.gz HDVMGNXTOURKAW-RRFJBIMHSA-N 0 3 264.413 2.457 20 30 CEEDHN C=CCN1CC[C@@H](N2CC[C@@H](C)C3(CCC3)C2)C1=O ZINC000337170781 366049309 /nfs/dbraw/zinc/04/93/09/366049309.db2.gz DERSPFKTVRJZNO-ZIAGYGMSSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCN1CC[C@H](N[C@H](C)c2ccccc2C)C1=O ZINC000337190291 366064788 /nfs/dbraw/zinc/06/47/88/366064788.db2.gz SKEAAYRGGLYYPG-HIFRSBDPSA-N 0 3 258.365 2.433 20 30 CEEDHN C#C[C@@H](C)NCc1ccc(OC)c(OC(F)F)c1 ZINC000123112198 187072059 /nfs/dbraw/zinc/07/20/59/187072059.db2.gz MHPXMHYREVAGIO-SECBINFHSA-N 0 3 255.264 2.408 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)cc2)CCN1C ZINC000122924351 187059806 /nfs/dbraw/zinc/05/98/06/187059806.db2.gz KIHUUBWBEUUXMO-WFASDCNBSA-N 0 3 271.364 2.113 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(C(F)F)CCC2)CC1 ZINC000630943216 351896311 /nfs/dbraw/zinc/89/63/11/351896311.db2.gz OGDRHSXLYIGCGA-UHFFFAOYSA-N 0 3 272.339 2.188 20 30 CEEDHN C=CC[C@H](CO)CNCc1ccncc1Br ZINC000631107909 351966016 /nfs/dbraw/zinc/96/60/16/351966016.db2.gz PVHGYQKNGBPRMV-JTQLQIEISA-N 0 3 285.185 2.118 20 30 CEEDHN Cc1nc(N(C)[C@@H]2CCN(C)[C@@H](C)C2)ccc1C#N ZINC000292003524 198131910 /nfs/dbraw/zinc/13/19/10/198131910.db2.gz RMDMEVLBBOOGCO-SMDDNHRTSA-N 0 3 258.369 2.181 20 30 CEEDHN N#Cc1ccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)s1 ZINC000336455858 213323718 /nfs/dbraw/zinc/32/37/18/213323718.db2.gz RFTXMIDZGTVHOX-GFCCVEGCSA-N 0 3 289.404 2.320 20 30 CEEDHN C#CCOc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000152954321 188055035 /nfs/dbraw/zinc/05/50/35/188055035.db2.gz CTWVYUYNQUMPQK-OAGGEKHMSA-N 0 3 257.333 2.108 20 30 CEEDHN C#CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000154860862 188166650 /nfs/dbraw/zinc/16/66/50/188166650.db2.gz BTNCMZAHRYYTPC-WBVHZDCISA-N 0 3 299.418 2.314 20 30 CEEDHN CC#CCCN1CCC(NC(=O)c2ccccc2)CC1 ZINC000155059335 188179705 /nfs/dbraw/zinc/17/97/05/188179705.db2.gz SGFQGERXLPOWHY-UHFFFAOYSA-N 0 3 270.376 2.294 20 30 CEEDHN CC#CCCN1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000156645330 188275011 /nfs/dbraw/zinc/27/50/11/188275011.db2.gz HKTRXZRNHVFEEK-HNNXBMFYSA-N 0 3 285.391 2.454 20 30 CEEDHN C[C@H]1CCN(Cc2cnc3c(C#N)cnn3c2)CC1(C)C ZINC000569457382 299203642 /nfs/dbraw/zinc/20/36/42/299203642.db2.gz YVEDHGMOCQOYPK-LBPRGKRZSA-N 0 3 283.379 2.469 20 30 CEEDHN C=CCN1CC[C@@H](N(C)CCC2CCCC2)C1=O ZINC000337230157 366092516 /nfs/dbraw/zinc/09/25/16/366092516.db2.gz SQBATEFMSRRFLW-CQSZACIVSA-N 0 3 250.386 2.285 20 30 CEEDHN CN1CCC(C(=O)N[C@H](C#N)c2ccccc2Cl)CC1 ZINC000073647814 363237331 /nfs/dbraw/zinc/23/73/31/363237331.db2.gz FEAWMLSUAPAXAW-CQSZACIVSA-N 0 3 291.782 2.363 20 30 CEEDHN Cn1cc(CN[C@@H]2CCC[C@H]2OC(F)F)cc1C#N ZINC000337282235 366123379 /nfs/dbraw/zinc/12/33/79/366123379.db2.gz IEDJEXDTKJPMSO-VXGBXAGGSA-N 0 3 269.295 2.147 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2Cn2cncn2)C1 ZINC000337812809 366176278 /nfs/dbraw/zinc/17/62/78/366176278.db2.gz MESMWUHRCCLLIP-CJNGLKHVSA-N 0 3 281.363 2.108 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)c2cccnc2)CC1 ZINC000174667299 188912650 /nfs/dbraw/zinc/91/26/50/188912650.db2.gz PUXSHRIBZQIQEI-AWEZNQCLSA-N 0 3 287.407 2.342 20 30 CEEDHN C=CCCCN(C)CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000076736787 363544708 /nfs/dbraw/zinc/54/47/08/363544708.db2.gz ZYFRVSVKNQVFCV-KGLIPLIRSA-N 0 3 295.427 2.289 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@H](SC)C1 ZINC000134558962 366339569 /nfs/dbraw/zinc/33/95/69/366339569.db2.gz STXCYEHHDIXBMF-KBPBESRZSA-N 0 3 297.468 2.212 20 30 CEEDHN C=CC[C@@H](CO)NCc1c[nH]nc1-c1cccs1 ZINC000320321323 538772998 /nfs/dbraw/zinc/77/29/98/538772998.db2.gz XHMYSQAWGVEQCF-NSHDSACASA-N 0 3 263.366 2.165 20 30 CEEDHN N#Cc1ccc(C(=O)N2CCC[C@@H]2CN2CCCC2)s1 ZINC000336305183 213144692 /nfs/dbraw/zinc/14/46/92/213144692.db2.gz YXVLBUXDOYJDRE-GFCCVEGCSA-N 0 3 289.404 2.320 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)cc1 ZINC000079323875 363589130 /nfs/dbraw/zinc/58/91/30/363589130.db2.gz BZTLKXSKKXOMCS-QWHCGFSZSA-N 0 3 289.379 2.046 20 30 CEEDHN C[C@@H]1CSC[C@@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000577734700 366388984 /nfs/dbraw/zinc/38/89/84/366388984.db2.gz GKCLLQPRWMFPCF-SKDRFNHKSA-N 0 3 277.349 2.308 20 30 CEEDHN COC[C@H]1CCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000135077210 366392179 /nfs/dbraw/zinc/39/21/79/366392179.db2.gz JAALRAFRSORCRW-AWEZNQCLSA-N 0 3 274.364 2.425 20 30 CEEDHN C[C@@H](NC(=O)NC[C@H](C)C#N)[C@@H](c1ccccc1)N(C)C ZINC000577944849 366419118 /nfs/dbraw/zinc/41/91/18/366419118.db2.gz UNXPHABBNPJHTE-NFAWXSAZSA-N 0 3 288.395 2.137 20 30 CEEDHN Cc1cc(NC(=O)C(C#N)c2nc3ccccc3s2)no1 ZINC000338625991 366445309 /nfs/dbraw/zinc/44/53/09/366445309.db2.gz LOPOBENGYHJVIL-VIFPVBQESA-N 0 3 298.327 2.261 20 30 CEEDHN C[C@@H](CNC[C@@H](C#N)CCC#N)N1CCC(C)CC1 ZINC000578316338 366475916 /nfs/dbraw/zinc/47/59/16/366475916.db2.gz XEUFXEQYRQTBIV-LSDHHAIUSA-N 0 3 262.401 2.140 20 30 CEEDHN Cc1cnc(CCN[C@@H]2CCc3ccc(C#N)cc32)nc1 ZINC000571250020 299301598 /nfs/dbraw/zinc/30/15/98/299301598.db2.gz SWDHMFGWHBYBCN-MRXNPFEDSA-N 0 3 278.359 2.476 20 30 CEEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000150890490 366602632 /nfs/dbraw/zinc/60/26/32/366602632.db2.gz GWDHMNGPANGUSZ-LBPRGKRZSA-N 0 3 281.400 2.041 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNCc1cncn1C)C(C)C ZINC000150951103 366608127 /nfs/dbraw/zinc/60/81/27/366608127.db2.gz QMRWUNOUCWMWDQ-INIZCTEOSA-N 0 3 276.428 2.208 20 30 CEEDHN CC[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)N(C)C ZINC000298245117 200369488 /nfs/dbraw/zinc/36/94/88/200369488.db2.gz MIEHGHLIEUWRDI-INIZCTEOSA-N 0 3 285.391 2.389 20 30 CEEDHN C=CCc1cc(CNC2(CO)CCC2)cc(OC)c1O ZINC000178637218 189133025 /nfs/dbraw/zinc/13/30/25/189133025.db2.gz YFSWQPOERWDAOM-UHFFFAOYSA-N 0 3 277.364 2.134 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC23CCC3)CC1 ZINC000675326310 540829190 /nfs/dbraw/zinc/82/91/90/540829190.db2.gz FEECFTCIOALENC-CQSZACIVSA-N 0 3 262.397 2.333 20 30 CEEDHN CC#CCN[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000180016103 189232710 /nfs/dbraw/zinc/23/27/10/189232710.db2.gz 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541071309 /nfs/dbraw/zinc/07/13/09/541071309.db2.gz CXKGRZSKCAWAEP-IAGOWNOFSA-N 0 3 286.419 2.231 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)c1cscc1C#N ZINC000340167556 366788433 /nfs/dbraw/zinc/78/84/33/366788433.db2.gz YJYKLWJWUDSEIL-LBPRGKRZSA-N 0 3 277.393 2.224 20 30 CEEDHN C=CCC[C@H](O)CNC(C)(C)C(=O)NCC1CCCCC1 ZINC000155256662 366813402 /nfs/dbraw/zinc/81/34/02/366813402.db2.gz WDKPKNZKRGEKOG-HNNXBMFYSA-N 0 3 296.455 2.378 20 30 CEEDHN CCCCN(C)CCNC(=O)c1cscc1C#N ZINC000340235063 366813910 /nfs/dbraw/zinc/81/39/10/366813910.db2.gz CTUCEFPCOOAYAV-UHFFFAOYSA-N 0 3 265.382 2.081 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C/c2ncccc2C)CC1 ZINC000183549063 189361965 /nfs/dbraw/zinc/36/19/65/189361965.db2.gz IXCYNFLEOUEOKN-VOTSOKGWSA-N 0 3 285.391 2.170 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc(OC)c(OCC)c(OC)c1 ZINC000184273169 189381046 /nfs/dbraw/zinc/38/10/46/189381046.db2.gz NWULFXIVCYGKQO-ZDUSSCGKSA-N 0 3 295.379 2.129 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(OC(F)F)cc1 ZINC000184283657 189381934 /nfs/dbraw/zinc/38/19/34/189381934.db2.gz BEQYEBWWPPQACO-NSHDSACASA-N 0 3 257.280 2.315 20 30 CEEDHN CN(C)CCN(Cc1cccc(F)c1)c1ccc(C#N)nn1 ZINC000301985762 201288205 /nfs/dbraw/zinc/28/82/05/201288205.db2.gz ZAUPUZRZKTXPKY-UHFFFAOYSA-N 0 3 299.353 2.056 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000678761412 541169614 /nfs/dbraw/zinc/16/96/14/541169614.db2.gz DVLIUWMZXMOWQF-CJNGLKHVSA-N 0 3 288.391 2.401 20 30 CEEDHN COc1ccc(CNCCc2ccccn2)cc1C#N ZINC000087822329 363871023 /nfs/dbraw/zinc/87/10/23/363871023.db2.gz CXFGVCXVIQFHCA-UHFFFAOYSA-N 0 3 267.332 2.294 20 30 CEEDHN C=CCCN1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000679831728 541321514 /nfs/dbraw/zinc/32/15/14/541321514.db2.gz XTXUVOGPHDGBBM-HNNXBMFYSA-N 0 3 294.420 2.469 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(C(C)=O)c(C)c2)CC1 ZINC000089413070 363962333 /nfs/dbraw/zinc/96/23/33/363962333.db2.gz VHRLOTHHLQATDW-UHFFFAOYSA-N 0 3 298.386 2.481 20 30 CEEDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)CCN1C ZINC000090795227 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ZINC000157902710 366851055 /nfs/dbraw/zinc/85/10/55/366851055.db2.gz HUYPVCURJFELRR-CYBMUJFWSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000097506338 364507007 /nfs/dbraw/zinc/50/70/07/364507007.db2.gz ZIKFMRHFNXIJRA-MRXNPFEDSA-N 0 3 293.407 2.469 20 30 CEEDHN C[C@H]1COCCN1C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000582100675 366861167 /nfs/dbraw/zinc/86/11/67/366861167.db2.gz LSESUOSFSJWWDF-HNNXBMFYSA-N 0 3 299.418 2.243 20 30 CEEDHN CC(C#N)C(=O)NC(C)(C)c1ccc(F)c(F)c1 ZINC000335200708 364614159 /nfs/dbraw/zinc/61/41/59/364614159.db2.gz KFVKXKTWZYDPHP-MRVPVSSYSA-N 0 3 252.264 2.476 20 30 CEEDHN Cc1cc(CN)cc(NC(=O)N2CCC(C#N)CC2)c1 ZINC000335530096 364798637 /nfs/dbraw/zinc/79/86/37/364798637.db2.gz DMBPSUWIWCHDLL-UHFFFAOYSA-N 0 3 272.352 2.221 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@@H]1CCCCN1CC ZINC000111883887 364765584 /nfs/dbraw/zinc/76/55/84/364765584.db2.gz BITWJIZWOUWXDQ-AWEZNQCLSA-N 0 3 265.401 2.244 20 30 CEEDHN Cc1ccc(NC(=O)CSCC#N)c(CN(C)C)c1 ZINC000113911474 364917661 /nfs/dbraw/zinc/91/76/61/364917661.db2.gz YWMWNHJDVQDAKW-UHFFFAOYSA-N 0 3 277.393 2.252 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N2CC[C@]3(CCN(C)C3)C2)c1 ZINC000335574841 212286422 /nfs/dbraw/zinc/28/64/22/212286422.db2.gz JWVHOXUFFXHCFF-KRWDZBQOSA-N 0 3 298.390 2.426 20 30 CEEDHN CC(C)[C@H](O)CNCc1cccc(OCCCC#N)c1 ZINC000116349835 365051639 /nfs/dbraw/zinc/05/16/39/365051639.db2.gz RWVXYQCPBGZUAP-MRXNPFEDSA-N 0 3 276.380 2.476 20 30 CEEDHN C=CCCCN1CCN(c2cc(OC)ccn2)CC1 ZINC000117879529 365130071 /nfs/dbraw/zinc/13/00/71/365130071.db2.gz AIYFRBVLOQWGSA-UHFFFAOYSA-N 0 3 261.369 2.178 20 30 CEEDHN Cc1cnn(CCN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000118398418 365154449 /nfs/dbraw/zinc/15/44/49/365154449.db2.gz RUVBXWTXMVCHBO-ZDUSSCGKSA-N 0 3 254.337 2.414 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)[C@]1(COC)CCCCN1 ZINC000638866759 370807372 /nfs/dbraw/zinc/80/73/72/370807372.db2.gz URDGWVGPPAPRMX-MRXNPFEDSA-N 0 3 282.428 2.254 20 30 CEEDHN C#CCN(CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275537357 193070572 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367282836 /nfs/dbraw/zinc/28/28/36/367282836.db2.gz YAFBIMSXKVEVCY-CYBMUJFWSA-N 0 3 277.364 2.122 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N(C)CC1(N(C)C)CCC1 ZINC000341434274 367335883 /nfs/dbraw/zinc/33/58/83/367335883.db2.gz POQPQSDIGQCZEV-CYBMUJFWSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000341367239 367306874 /nfs/dbraw/zinc/30/68/74/367306874.db2.gz HFKCEOKYVCYWHZ-RDBSUJKOSA-N 0 3 267.417 2.323 20 30 CEEDHN C[C@H]1[C@H](NC(=O)Nc2ccc(C#N)cc2)CCCN1C ZINC000342359387 367402894 /nfs/dbraw/zinc/40/28/94/367402894.db2.gz PXAYXFZQYDAHNO-SMDDNHRTSA-N 0 3 272.352 2.162 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000342400859 367406761 /nfs/dbraw/zinc/40/67/61/367406761.db2.gz LANTXBWJZPXGPJ-RBSFLKMASA-N 0 3 280.412 2.053 20 30 CEEDHN C=CC[C@@H](C)NC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000342481005 367413518 /nfs/dbraw/zinc/41/35/18/367413518.db2.gz OZYVMHRFADRUOH-CYBMUJFWSA-N 0 3 297.443 2.140 20 30 CEEDHN CO[C@@H]1CCCN(CCOc2ccccc2C#N)C1 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CCCN1CCC[C@@H]1CNC(=O)c1cccc(C#N)c1C ZINC000343621326 367921359 /nfs/dbraw/zinc/92/13/59/367921359.db2.gz HPIZIZGYYFOYTQ-OAHLLOKOSA-N 0 3 285.391 2.471 20 30 CEEDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCC1(C#N)CC1 ZINC000331955691 284003166 /nfs/dbraw/zinc/00/31/66/284003166.db2.gz KPQHMIXESWQCGD-WCQYABFASA-N 0 3 250.342 2.002 20 30 CEEDHN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(C)C#N ZINC000344050311 368104460 /nfs/dbraw/zinc/10/44/60/368104460.db2.gz PYCLCPIDEWHYBJ-LLVKDONJSA-N 0 3 298.346 2.232 20 30 CEEDHN C=C1CC(C)(C(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000633260615 368153433 /nfs/dbraw/zinc/15/34/33/368153433.db2.gz UQTRARJURLIEAO-ZDUSSCGKSA-N 0 3 262.397 2.285 20 30 CEEDHN C=C1CC(C)(C(=O)N(C)CCN2CCCCC2)C1 ZINC000633581812 368305524 /nfs/dbraw/zinc/30/55/24/368305524.db2.gz GGSZAUPLQVCJSE-UHFFFAOYSA-N 0 3 250.386 2.287 20 30 CEEDHN CCC(CC)[C@H](NCC(=O)NCC#N)c1ccccc1 ZINC000179790939 368352043 /nfs/dbraw/zinc/35/20/43/368352043.db2.gz JXAJFWSAGACQPV-INIZCTEOSA-N 0 3 273.380 2.393 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N(CCN(C)C)CC(C)C ZINC000345762162 368409606 /nfs/dbraw/zinc/40/96/06/368409606.db2.gz HTVWOJCJZSOLRU-CQSZACIVSA-N 0 3 270.417 2.014 20 30 CEEDHN C[C@@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(C#N)cc1 ZINC000281299718 296119640 /nfs/dbraw/zinc/11/96/40/296119640.db2.gz YOAARNZYVLEHLJ-GFCCVEGCSA-N 0 3 292.404 2.176 20 30 CEEDHN CN(CC1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182663169 368576340 /nfs/dbraw/zinc/57/63/40/368576340.db2.gz DOWKZRRXASTJPV-INIZCTEOSA-N 0 3 283.375 2.395 20 30 CEEDHN CCN1C[C@H](C)N(CCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000346174688 368577344 /nfs/dbraw/zinc/57/73/44/368577344.db2.gz HIAQNENNDFUWKJ-GJZGRUSLSA-N 0 3 287.407 2.352 20 30 CEEDHN CCN1C[C@H](C)N(CCOc2cccc(C#N)c2)C[C@@H]1C ZINC000346179565 368580106 /nfs/dbraw/zinc/58/01/06/368580106.db2.gz XPJZBKWTJOHCHB-GJZGRUSLSA-N 0 3 287.407 2.352 20 30 CEEDHN CCCN(CC(=O)N(CC)CCC#N)CC(C)C ZINC000346593690 368727772 /nfs/dbraw/zinc/72/77/72/368727772.db2.gz OZHPZNRSSNCNQF-UHFFFAOYSA-N 0 3 253.390 2.117 20 30 CEEDHN C=CCCCN[C@H](C)c1nnnn1-c1ccccc1 ZINC000184835954 368722548 /nfs/dbraw/zinc/72/25/48/368722548.db2.gz SYYQMSXLLAUMPO-GFCCVEGCSA-N 0 3 257.341 2.279 20 30 CEEDHN C[C@@H](CN1CCC[C@H](C)C1)NCc1ccc(C#N)o1 ZINC000246203247 370926570 /nfs/dbraw/zinc/92/65/70/370926570.db2.gz OUHLHAIAPJUFDV-STQMWFEESA-N 0 3 261.369 2.361 20 30 CEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)C2(C#N)CCCCC2)C1 ZINC000246174507 370921649 /nfs/dbraw/zinc/92/16/49/370921649.db2.gz BMOZFXVTFUADNQ-LSDHHAIUSA-N 0 3 289.423 2.403 20 30 CEEDHN C[C@H](C#N)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000347897847 368822579 /nfs/dbraw/zinc/82/25/79/368822579.db2.gz KBUSNSOSCOOPPR-GDBMZVCRSA-N 0 3 285.391 2.269 20 30 CEEDHN CC(C)N1CCC[C@@H](NC(=O)CCc2ccc(C#N)cc2)C1 ZINC000347968030 368841908 /nfs/dbraw/zinc/84/19/08/368841908.db2.gz WKTUHSGVTRKNMC-QGZVFWFLSA-N 0 3 299.418 2.480 20 30 CEEDHN C=CCC[C@H](NCc1nnnn1-c1ccccc1)C1CC1 ZINC000346728868 368787948 /nfs/dbraw/zinc/78/79/48/368787948.db2.gz BPYOFLGCCCHPJU-HNNXBMFYSA-N 0 3 283.379 2.497 20 30 CEEDHN C=CCOCCCN(C)Cc1ccc(C(=O)OC)cc1 ZINC000348050493 368875194 /nfs/dbraw/zinc/87/51/94/368875194.db2.gz KBKOCSANXGJZAE-UHFFFAOYSA-N 0 3 277.364 2.498 20 30 CEEDHN CN(Cc1ccc[nH]1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348275431 368980233 /nfs/dbraw/zinc/98/02/33/368980233.db2.gz LYBXSIKTYFYMJQ-HNNXBMFYSA-N 0 3 292.342 2.227 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000186281833 368951068 /nfs/dbraw/zinc/95/10/68/368951068.db2.gz FTFWUBAKUYKRTA-DOTOQJQBSA-N 0 3 299.418 2.273 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000186377789 368965359 /nfs/dbraw/zinc/96/53/59/368965359.db2.gz FYLYNGBSTLSKHL-GFCCVEGCSA-N 0 3 288.391 2.224 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000186691806 369020720 /nfs/dbraw/zinc/02/07/20/369020720.db2.gz GEJGBDVBDUJJLQ-RISCZKNCSA-N 0 3 292.379 2.241 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(F)cc1N(C)C ZINC000186714004 369026350 /nfs/dbraw/zinc/02/63/50/369026350.db2.gz PQJMQTIZAVFATR-WCQYABFASA-N 0 3 266.360 2.479 20 30 CEEDHN C[S@](=O)C1(CN[C@@H]2CCc3ccc(C#N)cc32)CCC1 ZINC000353669228 291452181 /nfs/dbraw/zinc/45/21/81/291452181.db2.gz TYJQPVJJXCUKQV-QRWLVFNGSA-N 0 3 288.416 2.436 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC(F)(F)F)cc1 ZINC000348299551 368991188 /nfs/dbraw/zinc/99/11/88/368991188.db2.gz YFFAFJVCZCFNJY-LBPRGKRZSA-N 0 3 295.264 2.309 20 30 CEEDHN CCS[C@@H]1CCC[C@@H]1NCC(=O)N(CC)CCC#N ZINC000348472460 369056148 /nfs/dbraw/zinc/05/61/48/369056148.db2.gz YBQFWXWYVVJZCX-QWHCGFSZSA-N 0 3 283.441 2.012 20 30 CEEDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(C#N)n(C)c1 ZINC000348676710 369118391 /nfs/dbraw/zinc/11/83/91/369118391.db2.gz SGZLLYDWNCSRGR-UHFFFAOYSA-N 0 3 298.346 2.479 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000276043225 193196738 /nfs/dbraw/zinc/19/67/38/193196738.db2.gz WOQMUJPLSZRUEJ-SWLSCSKDSA-N 0 3 250.386 2.355 20 30 CEEDHN COc1cc(CN(C)[C@H]2CCCOC2)ccc1C#N ZINC000348740877 369137826 /nfs/dbraw/zinc/13/78/26/369137826.db2.gz PTIXEFFBIXPKTL-AWEZNQCLSA-N 0 3 260.337 2.178 20 30 CEEDHN C=CCN1CCC(N[C@@H](C)c2nccnc2C)CC1 ZINC000187977100 369268111 /nfs/dbraw/zinc/26/81/11/369268111.db2.gz JFALKCNMNNIJAW-ZDUSSCGKSA-N 0 3 260.385 2.086 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H](C)OC)C(C)C ZINC000276080074 193207284 /nfs/dbraw/zinc/20/72/84/193207284.db2.gz UKXFKXTVOIVDCW-GJZGRUSLSA-N 0 3 297.443 2.019 20 30 CEEDHN C=CCOc1cccc(CNCC2(C(=O)OC)CC2)c1 ZINC000188690883 369395999 /nfs/dbraw/zinc/39/59/99/369395999.db2.gz MSWFMJZYUGUTRI-UHFFFAOYSA-N 0 3 275.348 2.294 20 30 CEEDHN COc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1OC ZINC000349827060 369413629 /nfs/dbraw/zinc/41/36/29/369413629.db2.gz GLSIGIOXPKZLHK-WCQYABFASA-N 0 3 260.337 2.486 20 30 CEEDHN C#CCN(C(=O)NCCN(C)C1CC1)C1CCCCC1 ZINC000490651063 261176857 /nfs/dbraw/zinc/17/68/57/261176857.db2.gz PRWKMTLMHJYXNJ-UHFFFAOYSA-N 0 3 277.412 2.058 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C#N)cc1 ZINC000330880670 203346714 /nfs/dbraw/zinc/34/67/14/203346714.db2.gz BOEQKBVMKYHDCE-STQMWFEESA-N 0 3 271.364 2.047 20 30 CEEDHN C=CCc1cc(CN[C@@H]2C[C@H](O)C2(C)C)cc(OC)c1O ZINC000189335285 369499662 /nfs/dbraw/zinc/49/96/62/369499662.db2.gz QUURRTGWYHMFHX-CABCVRRESA-N 0 3 291.391 2.378 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](COC)C1 ZINC000246598993 370982798 /nfs/dbraw/zinc/98/27/98/370982798.db2.gz AINQELSICLMHFX-HUUCEWRRSA-N 0 3 282.428 2.158 20 30 CEEDHN CN(CC#Cc1cccc(Cl)c1)CC1(O)CCOCC1 ZINC000189765722 369566856 /nfs/dbraw/zinc/56/68/56/369566856.db2.gz UTHRTMOHWMFNHW-UHFFFAOYSA-N 0 3 293.794 2.165 20 30 CEEDHN C[C@H]1CCN(CC#Cc2cccc(Cl)c2)[C@@H]1CO ZINC000190381608 369618547 /nfs/dbraw/zinc/61/85/47/369618547.db2.gz KBZCUCCBBIMQDU-SWLSCSKDSA-N 0 3 263.768 2.394 20 30 CEEDHN Cn1cc(CNCCSC(F)(F)F)cc1C#N ZINC000190804927 369653585 /nfs/dbraw/zinc/65/35/85/369653585.db2.gz PHVVVLCPGVVCPP-UHFFFAOYSA-N 0 3 263.288 2.239 20 30 CEEDHN Cn1cc(CNCCOc2cccc(F)c2)cc1C#N ZINC000190832447 369654762 /nfs/dbraw/zinc/65/47/62/369654762.db2.gz NVKHVYJTKLSIGA-UHFFFAOYSA-N 0 3 273.311 2.204 20 30 CEEDHN C=CCCN(C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000276443157 193333129 /nfs/dbraw/zinc/33/31/29/193333129.db2.gz OSFAMYPGQZLVFF-NSHDSACASA-N 0 3 293.342 2.370 20 30 CEEDHN Cc1noc(C)c1[C@@H](C)CNCc1cc(C#N)n(C)c1 ZINC000191467392 369716429 /nfs/dbraw/zinc/71/64/29/369716429.db2.gz IQJUBZWFZFLDCY-JTQLQIEISA-N 0 3 272.352 2.395 20 30 CEEDHN C=CCN(CCOC)C[C@@H](O)CCc1ccccc1 ZINC000191093686 369677590 /nfs/dbraw/zinc/67/75/90/369677590.db2.gz LITPQSUIZRUNOH-INIZCTEOSA-N 0 3 263.381 2.115 20 30 CEEDHN COc1cc(C#N)ccc1CN1[C@H](C)CC(O)C[C@H]1C ZINC000191139846 369684167 /nfs/dbraw/zinc/68/41/67/369684167.db2.gz SIIPBAWHWHPNBX-VXGBXAGGSA-N 0 3 274.364 2.301 20 30 CEEDHN C#CCN(C)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000191178580 369688032 /nfs/dbraw/zinc/68/80/32/369688032.db2.gz ZPIOQQXDLTZUKA-UHFFFAOYSA-N 0 3 284.403 2.380 20 30 CEEDHN C[C@@H]1CN(C2CCN(CC#Cc3ccccc3)CC2)CCO1 ZINC000191957556 369757217 /nfs/dbraw/zinc/75/72/17/369757217.db2.gz CFYOBQQXKLBLJW-QGZVFWFLSA-N 0 3 298.430 2.223 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)N[C@@H](CC)CN2CCCC2)C1 ZINC000636921959 369768455 /nfs/dbraw/zinc/76/84/55/369768455.db2.gz OUHMTRPJHXXFCA-CABCVRRESA-N 0 3 279.428 2.468 20 30 CEEDHN COC(=O)[C@H]1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000193504493 369949284 /nfs/dbraw/zinc/94/92/84/369949284.db2.gz KADMTLQKANFMFU-VHSXEESVSA-N 0 3 264.350 2.051 20 30 CEEDHN CN(C)CCOC1CCN(c2cccc(F)c2C#N)CC1 ZINC000352938327 369953039 /nfs/dbraw/zinc/95/30/39/369953039.db2.gz HIMRICYIUPTRQQ-UHFFFAOYSA-N 0 3 291.370 2.244 20 30 CEEDHN CSC1(CNCc2cnc3ccc(C#N)cn23)CC1 ZINC000193656594 369968156 /nfs/dbraw/zinc/96/81/56/369968156.db2.gz AANNNHHCWFMWKP-UHFFFAOYSA-N 0 3 272.377 2.191 20 30 CEEDHN C=C(C)CN(CCn1ccnc1C)Cc1ccc(CO)o1 ZINC000352892769 369937207 /nfs/dbraw/zinc/93/72/07/369937207.db2.gz KUJMGGCLWOGZQK-UHFFFAOYSA-N 0 3 289.379 2.355 20 30 CEEDHN N#Cc1ncn(CCNCc2cc3ccccc3s2)n1 ZINC000353036731 369995243 /nfs/dbraw/zinc/99/52/43/369995243.db2.gz HUCNZPAPRAIHEV-UHFFFAOYSA-N 0 3 283.360 2.154 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)CCc2ccc(C#N)cc2)C1 ZINC000194645360 370060972 /nfs/dbraw/zinc/06/09/72/370060972.db2.gz IHRFYYNXPMROEK-MRXNPFEDSA-N 0 3 285.391 2.091 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2Cc3c(cccc3C)N2)CC1 ZINC000638103010 370302799 /nfs/dbraw/zinc/30/27/99/370302799.db2.gz XWHLQOYYLXQHGV-KRWDZBQOSA-N 0 3 299.418 2.098 20 30 CEEDHN CC(C)n1cccc1C(=O)C(C#N)c1ccncn1 ZINC000354457195 370373072 /nfs/dbraw/zinc/37/30/72/370373072.db2.gz ABPZZNSMFJLYEY-NSHDSACASA-N 0 3 254.293 2.349 20 30 CEEDHN C[C@]1(O)CCCN(CCOc2ccc(C#N)cc2)CC1 ZINC000230352442 370453611 /nfs/dbraw/zinc/45/36/11/370453611.db2.gz MBLUWUBWPYXGNH-INIZCTEOSA-N 0 3 274.364 2.174 20 30 CEEDHN COC[C@@H]1CCCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000234721551 370540141 /nfs/dbraw/zinc/54/01/41/370540141.db2.gz BEOGWKXQACBDNT-CQSZACIVSA-N 0 3 274.364 2.425 20 30 CEEDHN C=CCCC1(C(=O)N2CCO[C@@H]3CCN(CC)C[C@@H]32)CC1 ZINC000355335495 370554590 /nfs/dbraw/zinc/55/45/90/370554590.db2.gz CXMHBSJMYDRPBI-LSDHHAIUSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000638471840 370555552 /nfs/dbraw/zinc/55/55/52/370555552.db2.gz LYLBOKDAKNKLHV-GFCCVEGCSA-N 0 3 256.349 2.328 20 30 CEEDHN C=CCN1CCC(NC(=O)COC2CCC(C)CC2)CC1 ZINC000355661189 370610367 /nfs/dbraw/zinc/61/03/67/370610367.db2.gz NXRTZPUYOHFSKM-UHFFFAOYSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(OC)ns1 ZINC000639145419 371020576 /nfs/dbraw/zinc/02/05/76/371020576.db2.gz KYSVOZXNIPIWIF-GWCFXTLKSA-N 0 3 268.382 2.223 20 30 CEEDHN C=C(CC)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000358621339 371142449 /nfs/dbraw/zinc/14/24/49/371142449.db2.gz VBTHSBXVQFRHQS-LBPRGKRZSA-N 0 3 276.340 2.442 20 30 CEEDHN Cc1noc(CCN[C@@H](C)c2ccc(C#N)cc2F)n1 ZINC000358572498 371123951 /nfs/dbraw/zinc/12/39/51/371123951.db2.gz QCBNTDYTXGITMM-VIFPVBQESA-N 0 3 274.299 2.282 20 30 CEEDHN C=C[C@@H](C)N[C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000358750589 371204450 /nfs/dbraw/zinc/20/44/50/371204450.db2.gz MLVZKGWRGDLRSX-VXGBXAGGSA-N 0 3 282.409 2.176 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000248533757 371206988 /nfs/dbraw/zinc/20/69/88/371206988.db2.gz ZFTLDNGZZQWOKA-SRBZOADZSA-N 0 3 267.394 2.012 20 30 CEEDHN CC1(CN2CCC(Oc3ccc(C#N)cc3)CC2)COC1 ZINC000360747966 371534019 /nfs/dbraw/zinc/53/40/19/371534019.db2.gz UKQFALCHOKDPTI-UHFFFAOYSA-N 0 3 286.375 2.438 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639790682 371571575 /nfs/dbraw/zinc/57/15/75/371571575.db2.gz DGRJNMANTVIILJ-HOCLYGCPSA-N 0 3 283.375 2.356 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC3(CCSCC3)CC2)C1=O ZINC000639983506 371711433 /nfs/dbraw/zinc/71/14/33/371711433.db2.gz VUKQQHMRDSLLHW-CQSZACIVSA-N 0 3 294.464 2.383 20 30 CEEDHN CN(Cc1ccc(C#N)cc1F)[C@H]1CCN(C2CC2)C1 ZINC000353327120 220028431 /nfs/dbraw/zinc/02/84/31/220028431.db2.gz DCKYJFGOAGGCOD-HNNXBMFYSA-N 0 3 273.355 2.366 20 30 CEEDHN C=CCN(C(=O)N(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000361351082 371800404 /nfs/dbraw/zinc/80/04/04/371800404.db2.gz CUKAWXHJSAAQNS-MRXNPFEDSA-N 0 3 287.407 2.431 20 30 CEEDHN CC#CCCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000361525503 371898934 /nfs/dbraw/zinc/89/89/34/371898934.db2.gz NEWSXGRXNVLGEN-NVXWUHKLSA-N 0 3 299.418 2.362 20 30 CEEDHN CC#CCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000361578813 371943852 /nfs/dbraw/zinc/94/38/52/371943852.db2.gz AGVYIVMWKUGPJV-DOTOQJQBSA-N 0 3 299.418 2.220 20 30 CEEDHN C[C@H](O)CN1CCN(c2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000266461091 372047849 /nfs/dbraw/zinc/04/78/49/372047849.db2.gz YRTLUDJZKXDCHY-NEPJUHHUSA-N 0 3 293.798 2.103 20 30 CEEDHN C#CCCN1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000268678192 372178988 /nfs/dbraw/zinc/17/89/88/372178988.db2.gz CZMZOPSVMUZWTE-CQSZACIVSA-N 0 3 271.364 2.064 20 30 CEEDHN COCCOC[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000344304967 217143140 /nfs/dbraw/zinc/14/31/40/217143140.db2.gz ORCBTWMSWTWZEC-OLZOCXBDSA-N 0 3 262.353 2.260 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCSC(CC)(CC)C1 ZINC000362244234 372283000 /nfs/dbraw/zinc/28/30/00/372283000.db2.gz ACMSLZDHEZWRKR-LBPRGKRZSA-N 0 3 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C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000426066824 377393157 /nfs/dbraw/zinc/39/31/57/377393157.db2.gz MPENKOLZBOADHF-MELADBBJSA-N 0 3 265.401 2.219 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)NCC1(N(C)C)CCC1 ZINC000426235046 377396360 /nfs/dbraw/zinc/39/63/60/377396360.db2.gz FKWDUUAXTQQXMJ-ZDUSSCGKSA-N 0 3 265.401 2.221 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000425473546 377350701 /nfs/dbraw/zinc/35/07/01/377350701.db2.gz JDTVKEZUQKMOQU-AGGWBTHJSA-N 0 3 277.412 2.125 20 30 CEEDHN CC#CCN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000293204302 377469436 /nfs/dbraw/zinc/46/94/36/377469436.db2.gz QYFGIORHYSCOSX-UHFFFAOYSA-N 0 3 289.335 2.187 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2CC[C@H](C)C2)CC1 ZINC000428584475 377495507 /nfs/dbraw/zinc/49/55/07/377495507.db2.gz CUTQFSXMIVFCII-DZGCQCFKSA-N 0 3 279.428 2.467 20 30 CEEDHN CC[C@@H]1CCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000564989638 377521926 /nfs/dbraw/zinc/52/19/26/377521926.db2.gz VMIXSIKLWZOMNF-CQSZACIVSA-N 0 3 269.352 2.365 20 30 CEEDHN C[C@@H]1CC[C@H](N(C)CC(=O)NCc2cccc(C#N)c2)C1 ZINC000429575993 377516446 /nfs/dbraw/zinc/51/64/46/377516446.db2.gz FMMUERJWZFUAMM-CJNGLKHVSA-N 0 3 285.391 2.295 20 30 CEEDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(C#N)cc1F)CC2 ZINC000332651382 377654952 /nfs/dbraw/zinc/65/49/52/377654952.db2.gz NIOSLAJKYVGNRR-ZWNOBZJWSA-N 0 3 299.353 2.263 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000333537340 377777369 /nfs/dbraw/zinc/77/73/69/377777369.db2.gz KIZKXKOQKWQCAI-IFIJOSMWSA-N 0 3 287.407 2.059 20 30 CEEDHN Cc1ccsc1CCNCc1cnc2c(C#N)cnn2c1 ZINC000566241550 377747933 /nfs/dbraw/zinc/74/79/33/377747933.db2.gz DYVMXJOHBUBJNU-UHFFFAOYSA-N 0 3 297.387 2.303 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)c1nccn1C ZINC000436296325 377822865 /nfs/dbraw/zinc/82/28/65/377822865.db2.gz RHAODVDLJUGBCA-IHRRRGAJSA-N 0 3 263.385 2.442 20 30 CEEDHN Cn1cc(NC(=O)C(C#N)CCc2ccccc2)ccc1=O ZINC000433309888 377787721 /nfs/dbraw/zinc/78/77/21/377787721.db2.gz FAMVLZZIJJQYDK-CQSZACIVSA-N 0 3 295.342 2.096 20 30 CEEDHN CC[C@H](C)[C@H](O)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433380832 377791962 /nfs/dbraw/zinc/79/19/62/377791962.db2.gz FTVCSXWAIDZZRR-CWRNSKLLSA-N 0 3 288.391 2.282 20 30 CEEDHN C=CC(C)(C)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000294515159 377993140 /nfs/dbraw/zinc/99/31/40/377993140.db2.gz GIZOUACNGFQGEW-UHFFFAOYSA-N 0 3 250.386 2.355 20 30 CEEDHN C#CCCCCN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294573733 377997734 /nfs/dbraw/zinc/99/77/34/377997734.db2.gz CBRVYSYNDBTRPE-AWEZNQCLSA-N 0 3 272.327 2.426 20 30 CEEDHN C[C@H](NCC1([S@@](C)=O)CC1)c1ccc(C#N)cc1F ZINC000442802516 377999212 /nfs/dbraw/zinc/99/92/12/377999212.db2.gz PWKFIZNYQGCKMQ-APBUJDDRSA-N 0 3 280.368 2.259 20 30 CEEDHN C=CCOc1ccc(CN(C)[C@H](CC)CO)cc1OC ZINC000295126053 378042752 /nfs/dbraw/zinc/04/27/52/378042752.db2.gz NXBIRULOQKSJRL-CQSZACIVSA-N 0 3 279.380 2.463 20 30 CEEDHN C[C@H]1CN(CC(C)(C)O)CCN1CCCCC(C)(C)C#N ZINC000444686664 378079085 /nfs/dbraw/zinc/07/90/85/378079085.db2.gz XSUNJBNJQNEESD-HNNXBMFYSA-N 0 3 295.471 2.483 20 30 CEEDHN C=CC[C@H]1N(CC(=O)N2CCC2)CCCC1(C)C ZINC000444789082 378081371 /nfs/dbraw/zinc/08/13/71/378081371.db2.gz ZEXWVKFPJCFZNU-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CC1CCN(C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000445866071 378082713 /nfs/dbraw/zinc/08/27/13/378082713.db2.gz JRMMIPSCDRQPKF-UHFFFAOYSA-N 0 3 265.401 2.078 20 30 CEEDHN Cc1ccc(C#N)c(N2CCN(C3CC3)C[C@@H](C)C2)n1 ZINC000294885816 378026228 /nfs/dbraw/zinc/02/62/28/378026228.db2.gz GLWFIQZOLMABLH-GFCCVEGCSA-N 0 3 270.380 2.182 20 30 CEEDHN CC(C)COC[C@@H](O)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346196780 217836799 /nfs/dbraw/zinc/83/67/99/217836799.db2.gz QOCIUECQKMNJBP-WFASDCNBSA-N 0 3 294.370 2.381 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000448889957 378190099 /nfs/dbraw/zinc/19/00/99/378190099.db2.gz FCNFPIBHRJNDBS-OAGGEKHMSA-N 0 3 292.423 2.054 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cn(C)nc1C(F)F ZINC000449547271 378216381 /nfs/dbraw/zinc/21/63/81/378216381.db2.gz HIQAZWPZVKMSEX-MNOVXSKESA-N 0 3 271.311 2.181 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)cc(C)n1 ZINC000449548489 378216780 /nfs/dbraw/zinc/21/67/80/378216780.db2.gz NVYDSDHUEFBVRU-CABCVRRESA-N 0 3 262.353 2.222 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cc(-c2ccccc2)n[nH]1 ZINC000449700703 378221420 /nfs/dbraw/zinc/22/14/20/378221420.db2.gz URUJLKUXWIJRHY-AWEZNQCLSA-N 0 3 271.364 2.493 20 30 CEEDHN C=CCC[C@H](CO)NCc1cnn(-c2ccc(F)cc2)c1 ZINC000449696008 378221572 /nfs/dbraw/zinc/22/15/72/378221572.db2.gz GVCVNIBQMFXGFS-OAHLLOKOSA-N 0 3 289.354 2.428 20 30 CEEDHN C[C@H](CO)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC000295643085 378248092 /nfs/dbraw/zinc/24/80/92/378248092.db2.gz CHLGLCHGMGFFGS-NEPJUHHUSA-N 0 3 251.757 2.298 20 30 CEEDHN C[C@@H](O)CCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000450355603 378373855 /nfs/dbraw/zinc/37/38/55/378373855.db2.gz RSJRBAPCBMSAIY-CYBMUJFWSA-N 0 3 274.364 2.172 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1cccs1 ZINC000296960826 378660493 /nfs/dbraw/zinc/66/04/93/378660493.db2.gz QVATZTXSXUYZOW-CYBMUJFWSA-N 0 3 293.436 2.406 20 30 CEEDHN N#Cc1ccnc(N2CCN(CC3CCCC3)CC2)c1 ZINC000298573304 378771375 /nfs/dbraw/zinc/77/13/75/378771375.db2.gz GKJOHXYGIOFDDZ-UHFFFAOYSA-N 0 3 270.380 2.265 20 30 CEEDHN C#CCC(CC#C)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000278511950 194021540 /nfs/dbraw/zinc/02/15/40/194021540.db2.gz APMGNWLKUITHKV-UHFFFAOYSA-N 0 3 288.435 2.230 20 30 CEEDHN CC[C@@H](N[C@H](C)C(=O)N(C)CC)c1ccc(C#N)cc1 ZINC000278677887 194099430 /nfs/dbraw/zinc/09/94/30/194099430.db2.gz JPQJEZKNKRURQY-IUODEOHRSA-N 0 3 273.380 2.466 20 30 CEEDHN CN(Cc1cccc(C#N)c1F)[C@@H]1CCCC[C@H]1O ZINC000300291729 379158443 /nfs/dbraw/zinc/15/84/43/379158443.db2.gz RVLOOQNUWGMJSL-ZIAGYGMSSA-N 0 3 262.328 2.433 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@H](O)CO[C@@H](C)COC ZINC000278792963 194157663 /nfs/dbraw/zinc/15/76/63/194157663.db2.gz XXNIMGUUATUCNC-RDJZCZTQSA-N 0 3 293.407 2.087 20 30 CEEDHN C[C@@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C[C@H]1C ZINC000347577489 218280469 /nfs/dbraw/zinc/28/04/69/218280469.db2.gz GGXODOOFEQJUJX-ZIAGYGMSSA-N 0 3 285.391 2.152 20 30 CEEDHN CC(=O)c1cc(NC(=O)[C@H](N)CCCC#N)ccc1C ZINC000520428405 379469109 /nfs/dbraw/zinc/46/91/09/379469109.db2.gz TXPHIWLQAJHTRI-CQSZACIVSA-N 0 3 273.336 2.157 20 30 CEEDHN C=CCC[C@H](CO)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000456771189 379548242 /nfs/dbraw/zinc/54/82/42/379548242.db2.gz UMMLFIGGJBFWLA-GDBMZVCRSA-N 0 3 294.439 2.227 20 30 CEEDHN COc1ccc(CNCc2ccn(C)c2)cc1C#N ZINC000267139143 190306141 /nfs/dbraw/zinc/30/61/41/190306141.db2.gz XJGXKDVQRQTAJS-UHFFFAOYSA-N 0 3 255.321 2.195 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2ccccc2C#N)[C@@H](C)C1 ZINC000347707067 218330864 /nfs/dbraw/zinc/33/08/64/218330864.db2.gz PIMBDPICVDUSHW-OKILXGFUSA-N 0 3 257.381 2.473 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)NCC(C)(C)CCC#N)C1 ZINC000479349279 380078504 /nfs/dbraw/zinc/07/85/04/380078504.db2.gz TUSAWKJUEGZLRK-CQSZACIVSA-N 0 3 294.443 2.347 20 30 CEEDHN COC[C@]1(N[C@H]2CC[C@@H](C#N)C2)COc2ccccc2C1 ZINC000529669910 380183497 /nfs/dbraw/zinc/18/34/97/380183497.db2.gz WWPFKFNGHYVEJN-KMFMINBZSA-N 0 3 286.375 2.289 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)Cc1cccc(C#N)c1 ZINC000530913466 380206309 /nfs/dbraw/zinc/20/63/09/380206309.db2.gz KSKOMCNIPUEWFC-GJZGRUSLSA-N 0 3 299.418 2.480 20 30 CEEDHN COc1ccc2c(c1)CCCN(C(=O)C(C)C#N)C2 ZINC000530575351 380202944 /nfs/dbraw/zinc/20/29/44/380202944.db2.gz ZSHBLFHUUIUDHI-NSHDSACASA-N 0 3 258.321 2.130 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532127268 380211241 /nfs/dbraw/zinc/21/12/41/380211241.db2.gz OZHRCPLXTWQZIE-RYUDHWBXSA-N 0 3 280.368 2.116 20 30 CEEDHN C[C@@H](CNC(=O)C1(C#N)CC(C)C1)N1CCCC[C@@H]1C ZINC000532323374 380212923 /nfs/dbraw/zinc/21/29/23/380212923.db2.gz XVOSZKJQOLSRQS-WJEHIRDRSA-N 0 3 277.412 2.305 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](COC)C(C)C ZINC000542520677 380306934 /nfs/dbraw/zinc/30/69/34/380306934.db2.gz DULRPQUJNUYPGT-ZIAGYGMSSA-N 0 3 270.417 2.060 20 30 CEEDHN C[C@H]1CN(C(=O)Cc2cccc(C#N)c2)CCN(C2CC2)C1 ZINC000556361681 380896626 /nfs/dbraw/zinc/89/66/26/380896626.db2.gz JZGHBJAJJXQKEP-CQSZACIVSA-N 0 3 297.402 2.043 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)NCCN1CCC[C@H](C)C1 ZINC000494661964 381160974 /nfs/dbraw/zinc/16/09/74/381160974.db2.gz QODVZVRJNUFDLR-LSDHHAIUSA-N 0 3 279.428 2.468 20 30 CEEDHN N#Cc1cccc(CN2CCCC[C@@H]2C2(O)CC2)c1 ZINC000334795777 207089170 /nfs/dbraw/zinc/08/91/70/207089170.db2.gz HNRIHFADVRATJN-OAHLLOKOSA-N 0 3 256.349 2.438 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC000495418559 381173175 /nfs/dbraw/zinc/17/31/75/381173175.db2.gz MSQLITVAJZNBDP-MNOVXSKESA-N 0 3 297.399 2.202 20 30 CEEDHN C=CCOCCN1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495791712 381186200 /nfs/dbraw/zinc/18/62/00/381186200.db2.gz FJZAAVLJPZVMKU-INIZCTEOSA-N 0 3 298.427 2.426 20 30 CEEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000495793642 381186230 /nfs/dbraw/zinc/18/62/30/381186230.db2.gz JUJVPJRCKAGSDB-CHWSQXEVSA-N 0 3 284.400 2.034 20 30 CEEDHN C=CCN(CCOC)C[C@H](C)NC(=O)OC(C)(C)C ZINC000496088529 381197175 /nfs/dbraw/zinc/19/71/75/381197175.db2.gz SJJDUWYUZGZTBY-LBPRGKRZSA-N 0 3 272.389 2.034 20 30 CEEDHN CC(C#N)C(=O)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000496122860 381199548 /nfs/dbraw/zinc/19/95/48/381199548.db2.gz UCKFYPWFGXDERV-NSHDSACASA-N 0 3 295.383 2.004 20 30 CEEDHN C=C(CN(C)C)C(=O)Nc1ccc(NC(=O)OC)c(F)c1 ZINC000496483707 381215631 /nfs/dbraw/zinc/21/56/31/381215631.db2.gz ZTDRXRAXAFDCTM-UHFFFAOYSA-N 0 3 295.314 2.060 20 30 CEEDHN C=CCOc1ccc(CN(C)CC2CC(O)C2)cc1OC ZINC000191157728 542340287 /nfs/dbraw/zinc/34/02/87/542340287.db2.gz GKAGZXTUJISENZ-UHFFFAOYSA-N 0 3 291.391 2.463 20 30 CEEDHN CCOC1CC2(C1)CCN(Cc1cc(C#N)n(C)c1)C2 ZINC000289181486 197255689 /nfs/dbraw/zinc/25/56/89/197255689.db2.gz AHSRLVUJJJGOJL-UHFFFAOYSA-N 0 3 273.380 2.288 20 30 CEEDHN COc1ccc(CN2CC[C@H](CO)C[C@@H]2C)cc1C#N ZINC000289025638 197216455 /nfs/dbraw/zinc/21/64/55/197216455.db2.gz OEYHSCKFRGVGFL-JSGCOSHPSA-N 0 3 274.364 2.160 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccc(F)cc1Cl ZINC000347102805 533113489 /nfs/dbraw/zinc/11/34/89/533113489.db2.gz IMEZQWCKCRAWNG-QMMMGPOBSA-N 0 3 254.692 2.297 20 30 CEEDHN CCC[C@@]1(CO)CCN(CCOc2cccc(C#N)c2)C1 ZINC000288889706 197186516 /nfs/dbraw/zinc/18/65/16/197186516.db2.gz RRSQWTCYOQQVPV-QGZVFWFLSA-N 0 3 288.391 2.422 20 30 CEEDHN CO[C@@H]1CN(CCOc2ccc(C#N)cc2)CC[C@@H]1C ZINC000221136650 260003457 /nfs/dbraw/zinc/00/34/57/260003457.db2.gz LGVCIPRUTAUWEH-XJKSGUPXSA-N 0 3 274.364 2.294 20 30 CEEDHN C=C(C)CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000187856614 260061534 /nfs/dbraw/zinc/06/15/34/260061534.db2.gz UTRGGBRBXLDQBS-LSDHHAIUSA-N 0 3 273.380 2.307 20 30 CEEDHN C[C@@H]1CN(CCCCNc2ccnc(C#N)c2)C[C@@H](C)O1 ZINC000283750178 195912306 /nfs/dbraw/zinc/91/23/06/195912306.db2.gz KUVUADOHDMOZSO-ZIAGYGMSSA-N 0 3 288.395 2.255 20 30 CEEDHN CO[C@H]1c2ccccc2C[C@H]1NCc1cc(C#N)n(C)c1 ZINC000414491715 533316923 /nfs/dbraw/zinc/31/69/23/533316923.db2.gz CZTXNKQPVKVYHM-SJORKVTESA-N 0 3 281.359 2.299 20 30 CEEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)C2(C#N)CC(C)C2)C[C@@H](C)C1 ZINC000575111111 335066555 /nfs/dbraw/zinc/06/65/55/335066555.db2.gz BDXQZZQRYJUFHJ-WHJSIAKGSA-N 0 3 289.423 2.115 20 30 CEEDHN CCCN(C)CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000355631548 394482329 /nfs/dbraw/zinc/48/23/29/394482329.db2.gz BWSDXWKVLFAATA-CYBMUJFWSA-N 0 3 279.771 2.363 20 30 CEEDHN CC(C)[C@H](C)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000030148477 394484610 /nfs/dbraw/zinc/48/46/10/394484610.db2.gz DYEOKMNRHKOUAH-LBPRGKRZSA-N 0 3 259.353 2.473 20 30 CEEDHN C=CCCS(=O)(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000236759445 394487463 /nfs/dbraw/zinc/48/74/63/394487463.db2.gz DQZQMWLICKUDIG-OAHLLOKOSA-N 0 3 296.436 2.305 20 30 CEEDHN C[C@H](O)[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000305184936 394498727 /nfs/dbraw/zinc/49/87/27/394498727.db2.gz PBZGLAUBZNZFNE-ZFWWWQNUSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@@H]1N(CC(=O)NC[C@H]2CCCO2)CCC12CCOCC2 ZINC000329650293 394579338 /nfs/dbraw/zinc/57/93/38/394579338.db2.gz CEDFJVPZCSPZPZ-UONOGXRCSA-N 0 3 296.411 2.013 20 30 CEEDHN CCCN1CCC[C@H]1CNc1ncc(C#N)cc1F ZINC000413289190 394518561 /nfs/dbraw/zinc/51/85/61/394518561.db2.gz GIMCYMGFMDHVOW-LBPRGKRZSA-N 0 3 262.332 2.379 20 30 CEEDHN CC(C)(CN1CCCC1)Nc1ncc(C#N)cc1F ZINC000413309031 394522648 /nfs/dbraw/zinc/52/26/48/394522648.db2.gz ANSLHRIRCFOFQG-UHFFFAOYSA-N 0 3 262.332 2.379 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](C)[C@@H]1C ZINC000248347793 394538336 /nfs/dbraw/zinc/53/83/36/394538336.db2.gz NUPGJHPGSIRDPQ-RDBSUJKOSA-N 0 3 250.386 2.306 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC(CF)C1 ZINC000413928793 394660625 /nfs/dbraw/zinc/66/06/25/394660625.db2.gz DTOGPXBQSHANFQ-AWEZNQCLSA-N 0 3 260.312 2.187 20 30 CEEDHN C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2C#N)CCN1C ZINC000266200760 394660799 /nfs/dbraw/zinc/66/07/99/394660799.db2.gz DKSACMBGPOTQOP-AAEUAGOBSA-N 0 3 288.351 2.385 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)[C@@]2(C#N)CC23CCCC3)CN1C1CC1 ZINC000333606605 394649095 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394946314 /nfs/dbraw/zinc/94/63/14/394946314.db2.gz ZDWZSUQMXLTCCJ-GJZGRUSLSA-N 0 3 288.391 2.124 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC2(CCOCC2)CC1 ZINC000284889736 394951531 /nfs/dbraw/zinc/95/15/31/394951531.db2.gz WHSFBXDACGTDSY-UHFFFAOYSA-N 0 3 292.423 2.080 20 30 CEEDHN CC#CCN1CCC(C(=O)Nc2ncccc2C)CC1 ZINC000369620185 395000701 /nfs/dbraw/zinc/00/07/01/395000701.db2.gz DXWMSUJNYOLJOJ-UHFFFAOYSA-N 0 3 271.364 2.064 20 30 CEEDHN C=C(C)CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000286036105 395004684 /nfs/dbraw/zinc/00/46/84/395004684.db2.gz QPRPCIICQUMHCJ-IBGZPJMESA-N 0 3 299.462 2.455 20 30 CEEDHN C=CCCOCCCCC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000342982862 395028837 /nfs/dbraw/zinc/02/88/37/395028837.db2.gz ZRAVOFVUBJBFKA-ZBFHGGJFSA-N 0 3 294.439 2.348 20 30 CEEDHN Cc1cc(C#N)nc(NC[C@@H](C)N2CCC[C@H](C)C2)n1 ZINC000286080400 395009062 /nfs/dbraw/zinc/00/90/62/395009062.db2.gz JRUJABKHFVTWHH-WCQYABFASA-N 0 3 273.384 2.189 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2ccnc(OC(F)F)c2)C1 ZINC000342805444 395022518 /nfs/dbraw/zinc/02/25/18/395022518.db2.gz GYQMYXMBWSZLQN-GXSJLCMTSA-N 0 3 267.279 2.465 20 30 CEEDHN C=CCC[C@@H](NC[C@H]1CN(C)CCN1C)c1ccco1 ZINC000285500012 394957880 /nfs/dbraw/zinc/95/78/80/394957880.db2.gz AESMXWBWLVUMHY-LSDHHAIUSA-N 0 3 277.412 2.122 20 30 CEEDHN CC#CCN(C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000339765714 394971139 /nfs/dbraw/zinc/97/11/39/394971139.db2.gz ISPPXUBHPJMCJJ-OAHLLOKOSA-N 0 3 270.376 2.104 20 30 CEEDHN C=CCC[C@H](O)CN1CCOC[C@@H]1CC1CCC1 ZINC000339768089 394971257 /nfs/dbraw/zinc/97/12/57/394971257.db2.gz OTJSCVUCSVKPRX-GJZGRUSLSA-N 0 3 253.386 2.205 20 30 CEEDHN C=CCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000285864091 394974461 /nfs/dbraw/zinc/97/44/61/394974461.db2.gz IQDNNIWWOQWNNQ-GOSISDBHSA-N 0 3 285.435 2.065 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000339927759 394974562 /nfs/dbraw/zinc/97/45/62/394974562.db2.gz CGFCYZYMUPICEZ-UKRRQHHQSA-N 0 3 272.348 2.354 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC[C@H]2OC)CC1 ZINC000339999753 394976736 /nfs/dbraw/zinc/97/67/36/394976736.db2.gz QNRBDIUFCNYART-HZPDHXFCSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(CNC(=O)[C@H](C(C)C)N(C)C)c1ccccc1 ZINC000288004094 395051191 /nfs/dbraw/zinc/05/11/91/395051191.db2.gz BYIOTIKFQAZKTO-HNNXBMFYSA-N 0 3 260.381 2.402 20 30 CEEDHN Cc1cc(NC[C@H](C)N2CCCC[C@H]2C)c(C#N)cn1 ZINC000425207991 395051895 /nfs/dbraw/zinc/05/18/95/395051895.db2.gz NWJCUKNDNWRIDX-KGLIPLIRSA-N 0 3 272.396 2.358 20 30 CEEDHN C[C@@H](CC#N)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000373035522 395052795 /nfs/dbraw/zinc/05/27/95/395052795.db2.gz MZWWBLAUAQBPNH-JSGCOSHPSA-N 0 3 263.385 2.202 20 30 CEEDHN C[C@H]1CN2CCC[C@@H]2CN1c1ncc2c(c1C#N)CCC2 ZINC000425233146 395053138 /nfs/dbraw/zinc/05/31/38/395053138.db2.gz VRSGMJJBADUMSR-GXTWGEPZSA-N 0 3 282.391 2.115 20 30 CEEDHN C#CCCOc1ccc(CN2CC[C@](O)(C3CC3)C2)cc1 ZINC000373326628 395058535 /nfs/dbraw/zinc/05/85/35/395058535.db2.gz DHNNSRGASULXMU-GOSISDBHSA-N 0 3 285.387 2.436 20 30 CEEDHN C=C(C)CNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000161193202 395063515 /nfs/dbraw/zinc/06/35/15/395063515.db2.gz JKGZXAXKIBBNLS-HNNXBMFYSA-N 0 3 275.396 2.035 20 30 CEEDHN CC#CCCN1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000288939264 395067807 /nfs/dbraw/zinc/06/78/07/395067807.db2.gz WQQHOCPEUQFQLZ-QGZVFWFLSA-N 0 3 275.367 2.466 20 30 CEEDHN CO[C@H](CNC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000345609548 395070938 /nfs/dbraw/zinc/07/09/38/395070938.db2.gz IQSILLYQFVOPEH-BXKDBHETSA-N 0 3 266.728 2.303 20 30 CEEDHN C#C[C@H](C)NCc1c[nH]nc1-c1ccc(OC)cc1 ZINC000289316204 395075055 /nfs/dbraw/zinc/07/50/55/395075055.db2.gz FHJHSQZHMSZLAD-NSHDSACASA-N 0 3 255.321 2.197 20 30 CEEDHN C=CCC[C@H](O)CN1CCC=C(c2cccnc2)C1 ZINC000289449422 395077855 /nfs/dbraw/zinc/07/78/55/395077855.db2.gz XGHCMGISIMYUER-INIZCTEOSA-N 0 3 258.365 2.498 20 30 CEEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000289627837 395081915 /nfs/dbraw/zinc/08/19/15/395081915.db2.gz FAQFKNJXBNCEQT-KOLCDFICSA-N 0 3 287.306 2.494 20 30 CEEDHN CC(C#N)C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000345961122 395083506 /nfs/dbraw/zinc/08/35/06/395083506.db2.gz RWTWBACZYCMXER-VIFPVBQESA-N 0 3 265.382 2.259 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)CN(C)C1CC1 ZINC000289715540 395084399 /nfs/dbraw/zinc/08/43/99/395084399.db2.gz GNDXGOVFIAKKQT-SFHVURJKSA-N 0 3 299.418 2.001 20 30 CEEDHN C#Cc1ccc(CN2CC[C@H](C(=O)OC)[C@H](C)C2)cc1 ZINC000289819267 395087925 /nfs/dbraw/zinc/08/79/25/395087925.db2.gz TZLABDSVLGTMGO-CJNGLKHVSA-N 0 3 271.360 2.299 20 30 CEEDHN C=C[C@H](CO)N[C@@H](C)Cc1ccccc1SC ZINC000289811207 395088264 /nfs/dbraw/zinc/08/82/64/395088264.db2.gz ONRNZHYKYZBZGW-WCQYABFASA-N 0 3 251.395 2.476 20 30 CEEDHN C=CCC[C@H](O)CN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346209892 395091035 /nfs/dbraw/zinc/09/10/35/395091035.db2.gz OEKRYHGVRGRWAP-STQMWFEESA-N 0 3 277.368 2.063 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000289936040 395091775 /nfs/dbraw/zinc/09/17/75/395091775.db2.gz VTZLDYBJMZUWDW-RYUDHWBXSA-N 0 3 265.353 2.210 20 30 CEEDHN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)C(C)C#N ZINC000346288735 395093790 /nfs/dbraw/zinc/09/37/90/395093790.db2.gz UPUONCRZWGVFTG-ZDUSSCGKSA-N 0 3 287.363 2.250 20 30 CEEDHN COc1cccc(F)c1[C@H](C)NC(=O)C(C)C#N ZINC000346326172 395095301 /nfs/dbraw/zinc/09/53/01/395095301.db2.gz ITCIGVBCDNZGBJ-IUCAKERBSA-N 0 3 250.273 2.171 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000343448029 395039049 /nfs/dbraw/zinc/03/90/49/395039049.db2.gz UKUAJQSYYHPEEE-SMDDNHRTSA-N 0 3 265.328 2.348 20 30 CEEDHN C=CCCC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372437960 395041137 /nfs/dbraw/zinc/04/11/37/395041137.db2.gz DSWMYMWKLIZFTF-HOCLYGCPSA-N 0 3 273.380 2.157 20 30 CEEDHN COc1ccc([C@H](C)CCNC(=O)C(C)C#N)cc1 ZINC000346442218 395099253 /nfs/dbraw/zinc/09/92/53/395099253.db2.gz ZWRMNEJGJXHURY-VXGBXAGGSA-N 0 3 260.337 2.465 20 30 CEEDHN OC[C@@H]1CCCCN(CC#Cc2ccc(F)cc2)C1 ZINC000372769766 395045841 /nfs/dbraw/zinc/04/58/41/395045841.db2.gz ZYTLTOODTLGODT-OAHLLOKOSA-N 0 3 261.340 2.272 20 30 CEEDHN C=CCCCN(C)CC(=O)NCc1cccc(C#N)c1 ZINC000346969349 395114931 /nfs/dbraw/zinc/11/49/31/395114931.db2.gz WMJOWTAFPRYDLF-UHFFFAOYSA-N 0 3 271.364 2.072 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000376407046 395119272 /nfs/dbraw/zinc/11/92/72/395119272.db2.gz KWTSDKMOHBLRPL-KLHDSHLOSA-N 0 3 292.423 2.053 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000376407045 395119745 /nfs/dbraw/zinc/11/97/45/395119745.db2.gz KWTSDKMOHBLRPL-CAOSSQGBSA-N 0 3 292.423 2.053 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCN(C)C[C@H]1C(C)C ZINC000436489104 395121770 /nfs/dbraw/zinc/12/17/70/395121770.db2.gz XFGVFCBYSDWUOH-INIZCTEOSA-N 0 3 287.407 2.339 20 30 CEEDHN COC(=O)CCCN(Cc1ccccc1)C(=O)C(C)C#N ZINC000427572917 395122639 /nfs/dbraw/zinc/12/26/39/395122639.db2.gz IDVNGBPCXPNXBT-CYBMUJFWSA-N 0 3 288.347 2.128 20 30 CEEDHN C=CCOCCCN1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000348051660 395133988 /nfs/dbraw/zinc/13/39/88/395133988.db2.gz LTUQSYYVAHXRNK-VXGBXAGGSA-N 0 3 281.318 2.357 20 30 CEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C#N)o1 ZINC000429813501 395158658 /nfs/dbraw/zinc/15/86/58/395158658.db2.gz WLHYJTQEVPGTAP-XQQFMLRXSA-N 0 3 289.379 2.247 20 30 CEEDHN C[C@@H](CNC(=O)c1ccc(C#N)o1)N1CCC[C@@H](C)C1 ZINC000429829215 395158960 /nfs/dbraw/zinc/15/89/60/395158960.db2.gz HENTUYPQDISCAW-NEPJUHHUSA-N 0 3 275.352 2.001 20 30 CEEDHN Cc1ccc2ncc(C#N)c(NCCN(C)C)c2c1 ZINC000291691874 395155379 /nfs/dbraw/zinc/15/53/79/395155379.db2.gz SMGINVHEXLZEGR-UHFFFAOYSA-N 0 3 254.337 2.388 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N(C)CCN1CCCC1 ZINC000431702326 395169298 /nfs/dbraw/zinc/16/92/98/395169298.db2.gz MLCFAZUQONUETO-UHFFFAOYSA-N 0 3 286.379 2.426 20 30 CEEDHN C#CCNC(=O)CCN1CC=C(c2ccc(F)cc2)CC1 ZINC000293347617 395229948 /nfs/dbraw/zinc/22/99/48/395229948.db2.gz DKTFIKROAQBJTE-UHFFFAOYSA-N 0 3 286.350 2.054 20 30 CEEDHN Cc1ccccc1[C@H]([C@H](C)Nc1ccnc(C#N)n1)N(C)C ZINC000516785828 395184041 /nfs/dbraw/zinc/18/40/41/395184041.db2.gz XLYAESLXHGWILR-GUYCJALGSA-N 0 3 295.390 2.182 20 30 CEEDHN C=C(C)CCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292093479 395185179 /nfs/dbraw/zinc/18/51/79/395185179.db2.gz FSPHMCNAPRQDCM-CQSZACIVSA-N 0 3 257.337 2.373 20 30 CEEDHN C=CCCCN1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000293029388 395216867 /nfs/dbraw/zinc/21/68/67/395216867.db2.gz RJHQQWRORYUDRV-INIZCTEOSA-N 0 3 272.392 2.386 20 30 CEEDHN CN(C)CCN(C(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000433247071 395219930 /nfs/dbraw/zinc/21/99/30/395219930.db2.gz ONAUSCOUZLGZFW-UHFFFAOYSA-N 0 3 283.331 2.360 20 30 CEEDHN C=CCN(CC1CCCCC1)C[C@](C)(O)C(C)=O ZINC000411253106 395324665 /nfs/dbraw/zinc/32/46/65/395324665.db2.gz CSWNFAIDWQZFGN-HNNXBMFYSA-N 0 3 253.386 2.395 20 30 CEEDHN COCc1ccc(NC2CCN(C)CC2)cc1C#N ZINC000527763473 395280486 /nfs/dbraw/zinc/28/04/86/395280486.db2.gz LOVQTEZRBIHXEZ-UHFFFAOYSA-N 0 3 259.353 2.211 20 30 CEEDHN COCCCOCCN(C)Cc1ccc(C#N)cc1C ZINC000186317330 395288767 /nfs/dbraw/zinc/28/87/67/395288767.db2.gz KBDRFIIBJQLZTP-UHFFFAOYSA-N 0 3 276.380 2.352 20 30 CEEDHN CC1(N2CCOCC2)CCN(Cc2ccc(C#N)cc2)CC1 ZINC000528727641 395294028 /nfs/dbraw/zinc/29/40/28/395294028.db2.gz GVRYDWXAPJYHCI-UHFFFAOYSA-N 0 3 299.418 2.245 20 30 CEEDHN CCCN(CC(C)C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000411195605 395321290 /nfs/dbraw/zinc/32/12/90/395321290.db2.gz AAUBWKQGOQXXEW-OAHLLOKOSA-N 0 3 273.380 2.453 20 30 CEEDHN CC[C@H](CC#N)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000183841054 395265009 /nfs/dbraw/zinc/26/50/09/395265009.db2.gz NUKKRHUIUAOIMB-KGLIPLIRSA-N 0 3 265.401 2.305 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000355087407 395358008 /nfs/dbraw/zinc/35/80/08/395358008.db2.gz MIUROZTWJAICHM-UGFHNGPFSA-N 0 3 271.364 2.253 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412571757 395361004 /nfs/dbraw/zinc/36/10/04/395361004.db2.gz JUEJEXBRSVKYGX-DOMZBBRYSA-N 0 3 292.354 2.417 20 30 CEEDHN C(#Cc1ccccc1)CN1CCC[C@H](C2OCCO2)C1 ZINC000191988432 395368768 /nfs/dbraw/zinc/36/87/68/395368768.db2.gz AUGVVGCVCBOLCC-INIZCTEOSA-N 0 3 271.360 2.123 20 30 CEEDHN C=CCN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000192150161 395374445 /nfs/dbraw/zinc/37/44/45/395374445.db2.gz RCRDVFLNBPKPBH-GXTWGEPZSA-N 0 3 264.756 2.387 20 30 CEEDHN C#CCCCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000192175260 395375907 /nfs/dbraw/zinc/37/59/07/395375907.db2.gz JHFXGARWXMTUDK-WBVHZDCISA-N 0 3 284.403 2.427 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1nccc(OC)c1OC ZINC000411645157 395333397 /nfs/dbraw/zinc/33/33/97/395333397.db2.gz KPVVWOMSSNQLLI-UHFFFAOYSA-N 0 3 293.411 2.039 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1cncc(F)c1 ZINC000411644787 395334534 /nfs/dbraw/zinc/33/45/34/395334534.db2.gz RSZIRSAAXDSSTA-UHFFFAOYSA-N 0 3 251.349 2.160 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1cccnc1OC ZINC000411652153 395335683 /nfs/dbraw/zinc/33/56/83/395335683.db2.gz WODDUAUNMSBXNW-UHFFFAOYSA-N 0 3 263.385 2.030 20 30 CEEDHN CC(C)N(Cc1ccc(CC#N)cc1)C[C@@H]1CCC(=O)N1 ZINC000412077442 395346868 /nfs/dbraw/zinc/34/68/68/395346868.db2.gz LLDIXLVHWAHJOA-INIZCTEOSA-N 0 3 285.391 2.242 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)[C@H](C)CN1CCOCC1 ZINC000298056243 395351316 /nfs/dbraw/zinc/35/13/16/395351316.db2.gz IGSSQVIXYFVNBN-MRXNPFEDSA-N 0 3 299.418 2.267 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)Cc1cccc(C#N)c1 ZINC000531390175 395458834 /nfs/dbraw/zinc/45/88/34/395458834.db2.gz GHZVABURSGCQCY-MRXNPFEDSA-N 0 3 285.391 2.091 20 30 CEEDHN C[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)c(C#N)n2)CCN1C ZINC000443520185 395401048 /nfs/dbraw/zinc/40/10/48/395401048.db2.gz YVUXKQULIISSTJ-NXEZZACHSA-N 0 3 298.312 2.289 20 30 CEEDHN C=CCCCCCN1CCC[C@H]1C(=O)NC1CC1 ZINC000193346890 395406817 /nfs/dbraw/zinc/40/68/17/395406817.db2.gz QDQYMAHFCVWCBN-AWEZNQCLSA-N 0 3 250.386 2.476 20 30 CEEDHN CC1(C)CCCN(CCNc2cnccc2C#N)C1 ZINC000443958614 395406991 /nfs/dbraw/zinc/40/69/91/395406991.db2.gz GWIMHVJDVLPHSY-UHFFFAOYSA-N 0 3 258.369 2.487 20 30 CEEDHN Cc1cc(CNCCNC(=O)c2cccs2)ccc1C#N ZINC000443970721 395408050 /nfs/dbraw/zinc/40/80/50/395408050.db2.gz SFFPGNOWGKZBLU-UHFFFAOYSA-N 0 3 299.399 2.448 20 30 CEEDHN Cc1cc(CNCCNC(=O)C(C)(C)C)ccc1C#N ZINC000443973279 395408397 /nfs/dbraw/zinc/40/83/97/395408397.db2.gz YVJVYYQCYZCHHD-UHFFFAOYSA-N 0 3 273.380 2.119 20 30 CEEDHN CC[C@@H]1[C@H](C)CCN1Cc1cnc2c(C#N)cnn2c1 ZINC000567888793 395539684 /nfs/dbraw/zinc/53/96/84/395539684.db2.gz RLFDFIWZCPCUSS-BXUZGUMPSA-N 0 3 269.352 2.221 20 30 CEEDHN N#CCC[C@@H](C#N)CN[C@@H]1CCN(C2CCCC2)C1 ZINC000568382250 395556903 /nfs/dbraw/zinc/55/69/03/395556903.db2.gz UQLNRDNMUVPLLA-UONOGXRCSA-N 0 3 260.385 2.036 20 30 CEEDHN CO[C@H]1C[C@@H](N(C)Cc2cc(C#N)n(C)c2)C12CCC2 ZINC000449630110 395557568 /nfs/dbraw/zinc/55/75/68/395557568.db2.gz HAYUJOIRXWCBFP-CABCVRRESA-N 0 3 273.380 2.286 20 30 CEEDHN C=CCOc1cccc(CN(CCO)[C@@H]2CCO[C@H]2C)c1 ZINC000449675606 395560354 /nfs/dbraw/zinc/56/03/54/395560354.db2.gz AULLFQXNQVHDLU-WMLDXEAASA-N 0 3 291.391 2.223 20 30 CEEDHN C=C(C)CN1CCC(NC[C@H](C#N)CCC#N)CC1 ZINC000568741506 395569049 /nfs/dbraw/zinc/56/90/49/395569049.db2.gz VYVZSFPVDVTLQM-AWEZNQCLSA-N 0 3 260.385 2.060 20 30 CEEDHN CC[C@@H](CSC)N(C)Cc1cc(C#N)n(C)c1 ZINC000569156041 395573841 /nfs/dbraw/zinc/57/38/41/395573841.db2.gz PLLWWCFKQLLREQ-LBPRGKRZSA-N 0 3 251.399 2.470 20 30 CEEDHN CCOC[C@@H]1CCCCN1Cc1cc(C#N)n(C)c1 ZINC000459673204 395666578 /nfs/dbraw/zinc/66/65/78/395666578.db2.gz JEIUOVGIMJGXHD-AWEZNQCLSA-N 0 3 261.369 2.288 20 30 CEEDHN N#Cc1ccc(OCCN2C[C@@H]3C[C@H]2CS3)cc1 ZINC000459796729 395666785 /nfs/dbraw/zinc/66/67/85/395666785.db2.gz QKZPGQHEFUWIBI-JSGCOSHPSA-N 0 3 260.362 2.127 20 30 CEEDHN CC(C)[C@@H]1CN(Cc2ccccc2C#N)CCN1C ZINC000487942675 395667601 /nfs/dbraw/zinc/66/76/01/395667601.db2.gz FTAALDWKALFIGI-INIZCTEOSA-N 0 3 257.381 2.330 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)/C=C/c2cccc(C#N)c2)CCN1C ZINC000491937874 395670849 /nfs/dbraw/zinc/67/08/49/395670849.db2.gz KKLKROSZLQNJRR-BLRPHBDSSA-N 0 3 283.375 2.170 20 30 CEEDHN CC1=CCN(CCNC(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000493771544 395673929 /nfs/dbraw/zinc/67/39/29/395673929.db2.gz NBVJDAHXDOQRQY-VOTSOKGWSA-N 0 3 295.386 2.340 20 30 CEEDHN C=CCN1CCC(Nc2cc(=O)[nH]c3cccnc23)CC1 ZINC000647867356 395765383 /nfs/dbraw/zinc/76/53/83/395765383.db2.gz FZPFPLXMOIHULO-UHFFFAOYSA-N 0 3 284.363 2.398 20 30 CEEDHN CC#CCCCC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000648997523 396037721 /nfs/dbraw/zinc/03/77/21/396037721.db2.gz RGUQZEXIPIAEHX-CQSZACIVSA-N 0 3 250.386 2.123 20 30 CEEDHN C=C(C)[C@@H](CO)N(C)C[C@@H]1CN(CC)c2ccccc2O1 ZINC000649233052 396097673 /nfs/dbraw/zinc/09/76/73/396097673.db2.gz JJJKTXJLFBWEBS-GDBMZVCRSA-N 0 3 290.407 2.143 20 30 CEEDHN C=C(C)[C@H](CO)N1CCc2cc(OC)c(OC)cc2CC1 ZINC000649255751 396103805 /nfs/dbraw/zinc/10/38/05/396103805.db2.gz JXYYHHFOMVEKMZ-HNNXBMFYSA-N 0 3 291.391 2.041 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCCO[C@@H](c2ccccc2)C1 ZINC000649287110 396113888 /nfs/dbraw/zinc/11/38/88/396113888.db2.gz FURPWSUDULHNHU-HZPDHXFCSA-N 0 3 261.365 2.387 20 30 CEEDHN CC#CCN1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000646072967 396284098 /nfs/dbraw/zinc/28/40/98/396284098.db2.gz MEZGIVPGFXREJF-IAGOWNOFSA-N 0 3 257.377 2.468 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccccc1 ZINC000078542172 400243814 /nfs/dbraw/zinc/24/38/14/400243814.db2.gz HBDOTIQMALFQJX-QGZVFWFLSA-N 0 3 296.370 2.430 20 30 CEEDHN CCN1CCC(NC(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000359927272 155172079 /nfs/dbraw/zinc/17/20/79/155172079.db2.gz XEBWWTUBLULWRB-CYBMUJFWSA-N 0 3 285.391 2.262 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ncccc2SC)CC1 ZINC000651273222 401307514 /nfs/dbraw/zinc/30/75/14/401307514.db2.gz GKESPXTTZXLLAW-UHFFFAOYSA-N 0 3 291.420 2.184 20 30 CEEDHN C=CCC[C@H](CO)NCc1cc(F)c(OC)cc1OC ZINC000651824097 401399693 /nfs/dbraw/zinc/39/96/93/401399693.db2.gz GNKXTCMELHVVMI-GFCCVEGCSA-N 0 3 283.343 2.260 20 30 CEEDHN C=CCOc1ccc(CN(C)[C@@H](C)CCO)cc1OC ZINC000652045700 401440624 /nfs/dbraw/zinc/44/06/24/401440624.db2.gz DHJQHPOLUBFMTP-ZDUSSCGKSA-N 0 3 279.380 2.463 20 30 CEEDHN COC[C@@H](C)CN(C)Cc1cc(C#N)ccc1F ZINC000310951903 289279406 /nfs/dbraw/zinc/27/94/06/289279406.db2.gz MJNRCIASCZHFMF-NSHDSACASA-N 0 3 250.317 2.412 20 30 CEEDHN CC[C@]1(CO)CCCN1Cc1ccc(C#N)cc1F ZINC000189670700 153101945 /nfs/dbraw/zinc/10/19/45/153101945.db2.gz UOGWDMVTFYCYPL-OAHLLOKOSA-N 0 3 262.328 2.434 20 30 CEEDHN C[C@@H](N[C@@H](CO)C1CCOCC1)c1ccc(C#N)cc1F ZINC000360837066 155383895 /nfs/dbraw/zinc/38/38/95/155383895.db2.gz VETWICXKVZPQPK-BZNIZROVSA-N 0 3 292.354 2.135 20 30 CEEDHN COc1cc(CN(C)CCc2cnccn2)ccc1C#N ZINC000282484034 154161883 /nfs/dbraw/zinc/16/18/83/154161883.db2.gz XBEMTZLEPCIMBU-UHFFFAOYSA-N 0 3 282.347 2.031 20 30 CEEDHN Cn1cc(CNCCCC(=O)OC(C)(C)C)cc1C#N ZINC000359749054 155125603 /nfs/dbraw/zinc/12/56/03/155125603.db2.gz SUZGQCSKOQRTHH-UHFFFAOYSA-N 0 3 277.368 2.108 20 30 CEEDHN COc1cc(CN2CCCC[C@H](CO)C2)ccc1C#N ZINC000367037930 156117615 /nfs/dbraw/zinc/11/76/15/156117615.db2.gz WEKJSTTWEPVRTF-AWEZNQCLSA-N 0 3 274.364 2.161 20 30 CEEDHN N#Cc1cc(CN2CCCC[C@H]2C(=N)NO)ccc1F ZINC000376084671 157182354 /nfs/dbraw/zinc/18/23/54/157182354.db2.gz UGTCDOJJSZXBHL-ZDUSSCGKSA-N 0 3 276.315 2.008 20 30 CEEDHN CSCC[C@@H](CO)N[C@@H](C)c1ccc(C#N)cc1 ZINC000344299594 286670322 /nfs/dbraw/zinc/67/03/22/286670322.db2.gz OWDBLDZPIHFDKQ-FZMZJTMJSA-N 0 3 264.394 2.323 20 30 CEEDHN C[C@@H](N[C@@H](C)Cn1cccn1)c1cccc(C#N)c1 ZINC000037320036 287049548 /nfs/dbraw/zinc/04/95/48/287049548.db2.gz HTJLCCBHDDGHAT-QWHCGFSZSA-N 0 3 254.337 2.494 20 30 CEEDHN COC(=O)C[C@H]1CCCN1Cc1cccc(C#N)c1 ZINC000179135258 165270003 /nfs/dbraw/zinc/27/00/03/165270003.db2.gz ITMMRMMAQTZRII-CQSZACIVSA-N 0 3 258.321 2.086 20 30 CEEDHN C[C@@H](C1CC1)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000035207507 172051825 /nfs/dbraw/zinc/05/18/25/172051825.db2.gz GZKJAAXFIWBBDL-NSHDSACASA-N 0 3 257.337 2.227 20 30 CEEDHN C=C1CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662827031 414763066 /nfs/dbraw/zinc/76/30/66/414763066.db2.gz FCQZUTBQHGLJAR-OAHLLOKOSA-N 0 3 256.349 2.400 20 30 CEEDHN C=CCCn1cc(CNC[C@@H]2CCCO[C@@H]2C(C)C)nn1 ZINC000657388220 414904548 /nfs/dbraw/zinc/90/45/48/414904548.db2.gz AFLGCMKFNNFWJQ-GOEBONIOSA-N 0 3 292.427 2.395 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000660858279 415011735 /nfs/dbraw/zinc/01/17/35/415011735.db2.gz HAWJOQPTTFLAEP-RRFJBIMHSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCCn1cc(CNC[C@H]2CCO[C@@H](C(C)C)C2)nn1 ZINC000657482156 414965186 /nfs/dbraw/zinc/96/51/86/414965186.db2.gz RQLWEDIGCZVBCN-GOEBONIOSA-N 0 3 292.427 2.395 20 30 CEEDHN C=CCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000661028493 415070538 /nfs/dbraw/zinc/07/05/38/415070538.db2.gz NNBHULZEXWVXJX-GOEBONIOSA-N 0 3 287.407 2.382 20 30 CEEDHN CCC#C[C@H](C)N1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000653707603 415080331 /nfs/dbraw/zinc/08/03/31/415080331.db2.gz IDOLRJWCZDNQEB-JSGCOSHPSA-N 0 3 262.397 2.025 20 30 CEEDHN C=CCOCCCNCc1cccc2c1OCCO2 ZINC000657658362 415040441 /nfs/dbraw/zinc/04/04/41/415040441.db2.gz UHOQKJFOQMCRIS-UHFFFAOYSA-N 0 3 263.337 2.140 20 30 CEEDHN C=CCNC(=O)CN[C@@H](C)Cc1ccc2c(c1)CCCC2 ZINC000657952661 415139481 /nfs/dbraw/zinc/13/94/81/415139481.db2.gz JAJLYWVFZIGSIP-AWEZNQCLSA-N 0 3 286.419 2.388 20 30 CEEDHN CN1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000044537682 175200242 /nfs/dbraw/zinc/20/02/42/175200242.db2.gz JRNBQFGQENOACN-NSHDSACASA-N 0 3 274.324 2.220 20 30 CEEDHN C=CC[C@@H]1CCCN(CC(=O)NCCOCCCC)C1 ZINC000661378705 415230346 /nfs/dbraw/zinc/23/03/46/415230346.db2.gz KTPCXBAAHIWQAP-OAHLLOKOSA-N 0 3 282.428 2.207 20 30 CEEDHN C=C[C@H](CO)N[C@H](CC)c1cc(OC)c(OC)c(OC)c1 ZINC000658334629 415323295 /nfs/dbraw/zinc/32/32/95/415323295.db2.gz PEZJCXNQRRCBSM-CHWSQXEVSA-N 0 3 295.379 2.300 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@](O)(C2CC2)C1 ZINC000661631162 415372693 /nfs/dbraw/zinc/37/26/93/415372693.db2.gz DTJQCSWZEUUDMQ-PBHICJAKSA-N 0 3 294.439 2.036 20 30 CEEDHN C=C(C)CCNC(=O)N[C@H](CC)CN1CCCC1 ZINC000655680174 415381524 /nfs/dbraw/zinc/38/15/24/415381524.db2.gz JBECBSIXGIEOTN-CYBMUJFWSA-N 0 3 253.390 2.126 20 30 CEEDHN C=CCN(C(=O)Nc1cccc(CN)c1)[C@@H](C)COC ZINC000659017826 415388220 /nfs/dbraw/zinc/38/82/20/415388220.db2.gz ITLHLAQHAMHOAN-LBPRGKRZSA-N 0 3 277.368 2.200 20 30 CEEDHN C=CC[C@@H](CO)NCc1cn(-c2ccccc2F)nc1C ZINC000655760832 415440187 /nfs/dbraw/zinc/44/01/87/415440187.db2.gz YXFYJOYBCWTBHW-AWEZNQCLSA-N 0 3 289.354 2.346 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000664957500 415536262 /nfs/dbraw/zinc/53/62/62/415536262.db2.gz PUQOASVWEGPQEE-ZDUSSCGKSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCC1(NC(=O)N[C@@H](CN)C(F)(F)F)CCCCC1 ZINC000655930863 415554076 /nfs/dbraw/zinc/55/40/76/415554076.db2.gz DLQCZWXCKFXSCM-JTQLQIEISA-N 0 3 293.333 2.454 20 30 CEEDHN C=CCC[C@@H](O)CN1CC2(CCCC2)OC[C@@H]1C ZINC000661982594 415556458 /nfs/dbraw/zinc/55/64/58/415556458.db2.gz QCASMVAPBLJCFW-UONOGXRCSA-N 0 3 253.386 2.347 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC[C@H](C)C1 ZINC000662077654 415612175 /nfs/dbraw/zinc/61/21/75/415612175.db2.gz FDFFAVFIGJIRHA-AEGPPILISA-N 0 3 262.397 2.428 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N[C@@H](C)CC ZINC000662080706 415615461 /nfs/dbraw/zinc/61/54/61/415615461.db2.gz QEJVTQVJSGDGQR-RFQIPJPRSA-N 0 3 250.386 2.473 20 30 CEEDHN CN(C)[C@@H](CNc1nccnc1C#N)c1ccccc1 ZINC000072082086 176313224 /nfs/dbraw/zinc/31/32/24/176313224.db2.gz FQHSTBMURUAXJE-AWEZNQCLSA-N 0 3 267.336 2.063 20 30 CEEDHN C=CCOCCCNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000662664897 415924285 /nfs/dbraw/zinc/92/42/85/415924285.db2.gz WLWSNYKBHORGPO-HIFRSBDPSA-N 0 3 276.380 2.031 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc[nH]1)C(C)C ZINC000078397469 177337037 /nfs/dbraw/zinc/33/70/37/177337037.db2.gz BMIFNXVDVQRTOM-OAHLLOKOSA-N 0 3 275.396 2.443 20 30 CEEDHN CN1CC[C@H](CNc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000078835789 177396131 /nfs/dbraw/zinc/39/61/31/177396131.db2.gz ZJJZYRAFBHOLHP-SECBINFHSA-N 0 3 284.285 2.336 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000334602188 225079530 /nfs/dbraw/zinc/07/95/30/225079530.db2.gz QYELNNMRAFHDAO-HZGVNTEJSA-N 0 3 268.238 2.367 20 30 CEEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C(C)C#N ZINC000344744759 225149499 /nfs/dbraw/zinc/14/94/99/225149499.db2.gz XTLJAFAYNWJHKE-ZJUUUORDSA-N 0 3 262.357 2.283 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)Nc2cccc(CC#N)c2)CCN1C ZINC000334982631 225384582 /nfs/dbraw/zinc/38/45/82/225384582.db2.gz QNZVLSUREYAMHJ-WFASDCNBSA-N 0 3 286.379 2.357 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC(C#N)CC1 ZINC000335719624 287389555 /nfs/dbraw/zinc/38/95/55/287389555.db2.gz FVNKCQCVLWOYEK-ZIAGYGMSSA-N 0 3 292.427 2.194 20 30 CEEDHN CC(C#N)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000347040369 226024490 /nfs/dbraw/zinc/02/44/90/226024490.db2.gz QZSLLUHTYQATER-SNVBAGLBSA-N 0 3 280.249 2.333 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)C2CC2)CC1 ZINC000171737592 335076614 /nfs/dbraw/zinc/07/66/14/335076614.db2.gz VYFJQGCPHPICBG-LBPRGKRZSA-N 0 3 265.401 2.077 20 30 CEEDHN CN(C)Cc1cccc(CNC(=O)C2(C#N)CCCC2)c1 ZINC000033085075 228026314 /nfs/dbraw/zinc/02/63/14/228026314.db2.gz DYGYPYOMNLNNAD-UHFFFAOYSA-N 0 3 285.391 2.448 20 30 CEEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CC1(C)C ZINC000331912820 228137972 /nfs/dbraw/zinc/13/79/72/228137972.db2.gz UKKYOYBVNKNLJN-CABCVRRESA-N 0 3 281.359 2.497 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000335921710 228165726 /nfs/dbraw/zinc/16/57/26/228165726.db2.gz QQYMVBMQSXWRFI-MNOVXSKESA-N 0 3 278.739 2.479 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H](OCc2ccccc2F)C1 ZINC000352155173 228188647 /nfs/dbraw/zinc/18/86/47/228188647.db2.gz CQRCZOCUXVXLHL-TZMCWYRMSA-N 0 3 290.338 2.493 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(CCC)C1 ZINC000666923124 419477608 /nfs/dbraw/zinc/47/76/08/419477608.db2.gz FBRUFWHYXDDWGL-ZIAGYGMSSA-N 0 3 265.401 2.221 20 30 CEEDHN CC[C@@H](N[C@@H]1CCN(C(C)=O)C1)c1ccc(C#N)cc1 ZINC000447583458 260065054 /nfs/dbraw/zinc/06/50/54/260065054.db2.gz BMVSPCBMEMYJTD-HZPDHXFCSA-N 0 3 271.364 2.220 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC2(CC2)c2ccccc21 ZINC000297573220 260129104 /nfs/dbraw/zinc/12/91/04/260129104.db2.gz SUYXLERSCLRBGJ-UHFFFAOYSA-N 0 3 297.402 2.203 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCc3cc(C)ccc32)CC1 ZINC000299263349 260178767 /nfs/dbraw/zinc/17/87/67/260178767.db2.gz DIJJYCJQUYKBPS-GOSISDBHSA-N 0 3 296.414 2.444 20 30 CEEDHN C=CCCC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000102324125 261212603 /nfs/dbraw/zinc/21/26/03/261212603.db2.gz UBJTYWHMEYJWRZ-HNNXBMFYSA-N 0 3 260.381 2.242 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000248915087 261217200 /nfs/dbraw/zinc/21/72/00/261217200.db2.gz JTOUSCVGAUAJAE-TYNCELHUSA-N 0 3 250.386 2.330 20 30 CEEDHN CC(C)(C#N)c1ccccc1CNC(C)(C)CC(N)=O ZINC000186258770 262086375 /nfs/dbraw/zinc/08/63/75/262086375.db2.gz KATCOURRYKQWIJ-UHFFFAOYSA-N 0 3 273.380 2.231 20 30 CEEDHN C#CCCN1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000496486141 262347339 /nfs/dbraw/zinc/34/73/39/262347339.db2.gz LYJWFOYOBYFKPC-OAHLLOKOSA-N 0 3 266.385 2.246 20 30 CEEDHN O=C1C[C@@H]([C@H]2CCCCN2CC#Cc2ccccc2)CN1 ZINC000365270994 262356842 /nfs/dbraw/zinc/35/68/42/262356842.db2.gz GJCXUDFKPNWSSM-IAGOWNOFSA-N 0 3 282.387 2.029 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CCCC12CCCC2)C1CC1 ZINC000365312674 262359288 /nfs/dbraw/zinc/35/92/88/262359288.db2.gz IBOGEQNPGAQESI-OAHLLOKOSA-N 0 3 275.396 2.203 20 30 CEEDHN C#CCCN1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC000365402132 262364372 /nfs/dbraw/zinc/36/43/72/262364372.db2.gz CQLXASIMZKJQIK-UONOGXRCSA-N 0 3 278.396 2.341 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(C2CCCCC2)CC1 ZINC000163249077 262394359 /nfs/dbraw/zinc/39/43/59/262394359.db2.gz HMJDTFMYXVOPKJ-INIZCTEOSA-N 0 3 266.429 2.264 20 30 CEEDHN COc1cccc([C@@H](C)NCCC(=O)N(C)CCC#N)c1 ZINC000271701170 262998215 /nfs/dbraw/zinc/99/82/15/262998215.db2.gz SQFDGVJGJIQYJR-CYBMUJFWSA-N 0 3 289.379 2.108 20 30 CEEDHN Cc1ccccc1[C@H](CN1CCOCC1)NCCCC#N ZINC000273300169 263015031 /nfs/dbraw/zinc/01/50/31/263015031.db2.gz URLIMCWBMJCFII-KRWDZBQOSA-N 0 3 287.407 2.262 20 30 CEEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1cn[nH]c1 ZINC000274050486 263021175 /nfs/dbraw/zinc/02/11/75/263021175.db2.gz OBSZKFKZIHTLAK-NSHDSACASA-N 0 3 286.335 2.020 20 30 CEEDHN CN(C)C1(CN(C)C(=O)c2ccc(CC#N)cc2)CCC1 ZINC000275732564 263034239 /nfs/dbraw/zinc/03/42/39/263034239.db2.gz KJBJDYOPRTYRKE-UHFFFAOYSA-N 0 3 285.391 2.309 20 30 CEEDHN C=CCOc1ccccc1CN1CCNC[C@@](C)(F)C1 ZINC000414766573 263041225 /nfs/dbraw/zinc/04/12/25/263041225.db2.gz HWYCEGYUZQZQAP-MRXNPFEDSA-N 0 3 278.371 2.385 20 30 CEEDHN CC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279173391 263053348 /nfs/dbraw/zinc/05/33/48/263053348.db2.gz DDADLQWSYSKYQT-BXUZGUMPSA-N 0 3 255.321 2.155 20 30 CEEDHN CN(CC1CC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279288108 263054369 /nfs/dbraw/zinc/05/43/69/263054369.db2.gz KTZSTRKBMOORFO-HNNXBMFYSA-N 0 3 267.332 2.109 20 30 CEEDHN CC1(C)SC[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000283561887 263083254 /nfs/dbraw/zinc/08/32/54/263083254.db2.gz IXGZCAVJKBBFBS-ZIAGYGMSSA-N 0 3 299.399 2.251 20 30 CEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc(CC#N)c1 ZINC000288487732 263104503 /nfs/dbraw/zinc/10/45/03/263104503.db2.gz RHRPYNOUSAHHKQ-WMLDXEAASA-N 0 3 297.402 2.451 20 30 CEEDHN C#Cc1ccc(CN[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000366679604 263120505 /nfs/dbraw/zinc/12/05/05/263120505.db2.gz NQGXZLIKGWDGBQ-ROUUACIJSA-N 0 3 263.340 2.416 20 30 CEEDHN CCCN(CC#N)C(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291367909 263121628 /nfs/dbraw/zinc/12/16/28/263121628.db2.gz ADYXZDMAFMRVGW-KGLIPLIRSA-N 0 3 286.331 2.053 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)CCCC#N)C(C)C ZINC000292334299 263131168 /nfs/dbraw/zinc/13/11/68/263131168.db2.gz AZOUWSMSCQZIQP-OAHLLOKOSA-N 0 3 277.412 2.495 20 30 CEEDHN N#CCCCCN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000293613459 263144246 /nfs/dbraw/zinc/14/42/46/263144246.db2.gz GRUVGTRTEJLFFE-CYBMUJFWSA-N 0 3 273.315 2.317 20 30 CEEDHN N#CCCOCCN[C@@H](CCCO)c1ccccc1 ZINC000293710142 263147767 /nfs/dbraw/zinc/14/77/67/263147767.db2.gz DOSIYVDDVHICPY-HNNXBMFYSA-N 0 3 262.353 2.020 20 30 CEEDHN C#CCCCN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296612525 263194234 /nfs/dbraw/zinc/19/42/34/263194234.db2.gz GQLCYMFPNUSKQZ-UHFFFAOYSA-N 0 3 256.349 2.163 20 30 CEEDHN C[C@H](CCC#N)N(C)CCn1cc(Br)cn1 ZINC000298646882 263223626 /nfs/dbraw/zinc/22/36/26/263223626.db2.gz XDTISGLKUZVJGY-SNVBAGLBSA-N 0 3 285.189 2.270 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cc(Cl)c2c(c1)OCCO2 ZINC000341285229 263330029 /nfs/dbraw/zinc/33/00/29/263330029.db2.gz XJRBSQGKTMTLMM-LLVKDONJSA-N 0 3 297.782 2.385 20 30 CEEDHN C=CCC(C)(C)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000341913059 263366007 /nfs/dbraw/zinc/36/60/07/263366007.db2.gz WVHDZSWHXKYJSP-CQSZACIVSA-N 0 3 270.442 2.142 20 30 CEEDHN CCOC(=O)CCCCCN1CCC(C#N)(COC)CC1 ZINC000342016658 263378480 /nfs/dbraw/zinc/37/84/80/263378480.db2.gz LUGYNPANEXADAC-UHFFFAOYSA-N 0 3 296.411 2.362 20 30 CEEDHN CC#CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000342818720 263525710 /nfs/dbraw/zinc/52/57/10/263525710.db2.gz REZIWQKZZFMORZ-MRXNPFEDSA-N 0 3 298.430 2.469 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC(c2ncc[nH]2)CC1 ZINC000330943675 264083932 /nfs/dbraw/zinc/08/39/32/264083932.db2.gz HWSLMXYQOKKKIU-UHFFFAOYSA-N 0 3 290.411 2.014 20 30 CEEDHN CCO[C@H](C)c1ncc(C(=O)NC[C@@H]2CCN(C)C2)s1 ZINC000330919231 264093021 /nfs/dbraw/zinc/09/30/21/264093021.db2.gz NZXWNODGZOLGRX-MNOVXSKESA-N 0 3 297.424 2.497 20 30 CEEDHN Cc1ccc(C(=O)NC[C@H]2CCCCN2CCO)cc1F ZINC000331303648 264200427 /nfs/dbraw/zinc/20/04/27/264200427.db2.gz FPJCIWVYZNOHDR-CQSZACIVSA-N 0 3 294.370 2.286 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@@H](C(=O)NCCC)C2)cc1 ZINC000289470798 264723890 /nfs/dbraw/zinc/72/38/90/264723890.db2.gz ZADLCJZTOCNHRU-QGZVFWFLSA-N 0 3 284.403 2.406 20 30 CEEDHN CCc1ccc(C#CC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000293459853 264944723 /nfs/dbraw/zinc/94/47/23/264944723.db2.gz LDLQPCJXTASPEY-ROUUACIJSA-N 0 3 296.414 2.153 20 30 CEEDHN C#CCNC(=O)CCN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000293482398 264964143 /nfs/dbraw/zinc/96/41/43/264964143.db2.gz MLRCJEPXDYJISP-NSHDSACASA-N 0 3 280.318 2.097 20 30 CEEDHN C=CCOc1ccc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)cc1 ZINC000343498942 265044804 /nfs/dbraw/zinc/04/48/04/265044804.db2.gz HNVDLQWZBOMTHD-CJNGLKHVSA-N 0 3 288.391 2.464 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000356165696 266061679 /nfs/dbraw/zinc/06/16/79/266061679.db2.gz MDOZVLWNNCXUHE-QWRGUYRKSA-N 0 3 286.310 2.348 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](C)C2(CCC2)C1 ZINC000357021392 266233358 /nfs/dbraw/zinc/23/33/58/266233358.db2.gz HHRAXZNGBIAVMU-KBPBESRZSA-N 0 3 277.412 2.259 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H](C)C1CCC1 ZINC000357029612 266234824 /nfs/dbraw/zinc/23/48/24/266234824.db2.gz DGPSDRFPZAJGON-OLZOCXBDSA-N 0 3 265.401 2.115 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H](C)C1CCC1 ZINC000357037389 266237575 /nfs/dbraw/zinc/23/75/75/266237575.db2.gz MCHSBKRPOUPLKC-DOMZBBRYSA-N 0 3 265.401 2.161 20 30 CEEDHN C=CCN(C(=O)NC[C@H](C)N1CCC[C@H](C)C1)C1CC1 ZINC000357574430 266327781 /nfs/dbraw/zinc/32/77/81/266327781.db2.gz UYIQXTGIVUONJQ-KBPBESRZSA-N 0 3 279.428 2.467 20 30 CEEDHN CC[C@@H](NC(=O)C(C#N)CCc1ccccc1)C(C)(C)O ZINC000358647434 266486689 /nfs/dbraw/zinc/48/66/89/266486689.db2.gz HOAWTVQDSHFXIR-HUUCEWRRSA-N 0 3 288.391 2.425 20 30 CEEDHN OC[C@@H](NCC#Cc1ccccc1Cl)C1CCOCC1 ZINC000359876292 266650039 /nfs/dbraw/zinc/65/00/39/266650039.db2.gz NDWRYJIJMDZTEA-MRXNPFEDSA-N 0 3 293.794 2.069 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C#N)ccc1OC ZINC000451682220 266829666 /nfs/dbraw/zinc/82/96/66/266829666.db2.gz OEHYJHWKMRXVQP-CABCVRRESA-N 0 3 272.348 2.390 20 30 CEEDHN CCCCOCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428773623 267010541 /nfs/dbraw/zinc/01/05/41/267010541.db2.gz RQVBFYJVIMNFQZ-OAHLLOKOSA-N 0 3 289.379 2.223 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC2CCC1CC2 ZINC000362619034 267024861 /nfs/dbraw/zinc/02/48/61/267024861.db2.gz BDVZPJMQUMQFNT-UHFFFAOYSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C[C@@H](C)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000362708194 267037534 /nfs/dbraw/zinc/03/75/34/267037534.db2.gz UGXAVRILXNSLNY-UKRRQHHQSA-N 0 3 275.396 2.033 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@H]1CCCCC ZINC000362948669 267066062 /nfs/dbraw/zinc/06/60/62/267066062.db2.gz JTWVFLQKXIIHTK-CYBMUJFWSA-N 0 3 281.400 2.043 20 30 CEEDHN C=CCCC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000363197969 267079363 /nfs/dbraw/zinc/07/93/63/267079363.db2.gz XLXAXLIPLYFDLZ-UHFFFAOYSA-N 0 3 287.407 2.171 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(-n3ccnc3)nc2)C1 ZINC000368640999 267193803 /nfs/dbraw/zinc/19/38/03/267193803.db2.gz BYKPQEMQVURKRX-DZGCQCFKSA-N 0 3 281.363 2.439 20 30 CEEDHN CC[C@H](NCc1ccc(C#N)c(C)c1)[C@H](O)C(F)F ZINC000449424435 267222119 /nfs/dbraw/zinc/22/21/19/267222119.db2.gz PVMDEVKLVCUMSQ-STQMWFEESA-N 0 3 268.307 2.361 20 30 CEEDHN CC[C@H]1CN(CCNCc2ccc(C#N)c(C)c2)CCO1 ZINC000487175592 267229914 /nfs/dbraw/zinc/22/99/14/267229914.db2.gz VQWPTXDXEJXUOW-KRWDZBQOSA-N 0 3 287.407 2.067 20 30 CEEDHN CN(C)C1CN(c2nc3c(cc2C#N)CCCC3(C)C)C1 ZINC000428136977 267278562 /nfs/dbraw/zinc/27/85/62/267278562.db2.gz WEWGISBYFJSULH-UHFFFAOYSA-N 0 3 284.407 2.317 20 30 CEEDHN C#CCCN1CCC(C(=O)Nc2ncccc2C)CC1 ZINC000371195673 267368748 /nfs/dbraw/zinc/36/87/48/267368748.db2.gz OHOSRESKXYIOPK-UHFFFAOYSA-N 0 3 271.364 2.064 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC2(CCC2)CC1 ZINC000375739270 267896379 /nfs/dbraw/zinc/89/63/79/267896379.db2.gz ZIPBQEIKZGGMAD-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN Cc1cc(CNC2(CO)CCSCC2)ccc1C#N ZINC000459727338 267996404 /nfs/dbraw/zinc/99/64/04/267996404.db2.gz MQMPIYLMRMRNLP-UHFFFAOYSA-N 0 3 276.405 2.214 20 30 CEEDHN CCO[C@@H]1C[C@@H](O)C12CCN(CCC(C)(C)C#N)CC2 ZINC000305804589 268000981 /nfs/dbraw/zinc/00/09/81/268000981.db2.gz YRJPJLUEEUIHQR-ZIAGYGMSSA-N 0 3 280.412 2.178 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC3(Cc4ccccc4C3)C2)C1=O ZINC000376751427 268013660 /nfs/dbraw/zinc/01/36/60/268013660.db2.gz ONODEFHBHRHTNZ-QGZVFWFLSA-N 0 3 296.414 2.264 20 30 CEEDHN C=CCN1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000377169080 268052320 /nfs/dbraw/zinc/05/23/20/268052320.db2.gz TXWKLBQLYYVDEO-CYBMUJFWSA-N 0 3 250.386 2.333 20 30 CEEDHN N#Cc1ccc(CNC[C@H]2CCN2C2CCCC2)o1 ZINC000527811959 268233464 /nfs/dbraw/zinc/23/34/64/268233464.db2.gz ZJCYXHRBNOPDDW-CYBMUJFWSA-N 0 3 259.353 2.258 20 30 CEEDHN N#Cc1ccc([C@H](NC[C@@H]2CC[C@H]3C[C@H]3C2)C(N)=O)cc1 ZINC000530126169 268263423 /nfs/dbraw/zinc/26/34/23/268263423.db2.gz PQZOFNJAPHTVAG-BVUBDWEXSA-N 0 3 283.375 2.110 20 30 CEEDHN N#Cc1cscc1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530023931 268320387 /nfs/dbraw/zinc/32/03/87/268320387.db2.gz YMQOEIWDBPRQIQ-CYBMUJFWSA-N 0 3 289.404 2.366 20 30 CEEDHN CC(C)(CN1CCCC1)NC(=O)c1sccc1C#N ZINC000457056392 269603217 /nfs/dbraw/zinc/60/32/17/269603217.db2.gz UAIQFINLWXVKSA-UHFFFAOYSA-N 0 3 277.393 2.224 20 30 CEEDHN C[C@@H]1CN(C)CCN1CC#Cc1cccc(Cl)c1 ZINC000334853427 274333007 /nfs/dbraw/zinc/33/30/07/274333007.db2.gz HASAZFKJMLSMSA-CYBMUJFWSA-N 0 3 262.784 2.327 20 30 CEEDHN C[C@@H]1CN(c2nccnc2C#N)CCN1CC1CCCC1 ZINC000155639936 274370353 /nfs/dbraw/zinc/37/03/53/274370353.db2.gz IYAWIABVFKFBIF-CYBMUJFWSA-N 0 3 285.395 2.049 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000330260333 276369782 /nfs/dbraw/zinc/36/97/82/276369782.db2.gz OFQBCOXXSBUWCQ-ZIAGYGMSSA-N 0 3 295.427 2.076 20 30 CEEDHN C=CCCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000344441989 276884064 /nfs/dbraw/zinc/88/40/64/276884064.db2.gz BKIGLPATKXYUSH-UHFFFAOYSA-N 0 3 280.412 2.104 20 30 CEEDHN CN1CCN(CC#Cc2ccc(F)cc2)C(C)(C)C1 ZINC000270998812 277104136 /nfs/dbraw/zinc/10/41/36/277104136.db2.gz FWSXJOFUQYCLQQ-UHFFFAOYSA-N 0 3 260.356 2.203 20 30 CEEDHN C[C@@H]1OCC[C@@]1(C)NCC(=O)NC(=O)NC1CCCCC1 ZINC000330200258 278057919 /nfs/dbraw/zinc/05/79/19/278057919.db2.gz ACJJQBKFVOPBLW-XHDPSFHLSA-N 0 3 297.399 2.347 20 30 CEEDHN C[C@@H](Nc1cnc(C#N)cn1)[C@H](c1ccccc1)N(C)C ZINC000280657366 278390233 /nfs/dbraw/zinc/39/02/33/278390233.db2.gz AYWOGVULBCLBLK-MLGOLLRUSA-N 0 3 281.363 2.452 20 30 CEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(C#N)cc1 ZINC000287225069 279087734 /nfs/dbraw/zinc/08/77/34/279087734.db2.gz QKUGDJWVJPFYTF-CJNGLKHVSA-N 0 3 283.375 2.257 20 30 CEEDHN CCN(CCC#N)C(=O)CN1C[C@@H](C)CC(C)(C)C1 ZINC000344050555 279172741 /nfs/dbraw/zinc/17/27/41/279172741.db2.gz HOUZNBBLHSYFSW-ZDUSSCGKSA-N 0 3 265.401 2.117 20 30 CEEDHN C[C@H](CCN[C@@H]1CCC[C@@H]1C#N)N[C@@H]1CCC[C@H]1C#N ZINC000332269431 279267076 /nfs/dbraw/zinc/26/70/76/279267076.db2.gz CDVRPFNUGRWVQX-IBEHDNSVSA-N 0 3 274.412 2.329 20 30 CEEDHN CC[C@H](N[C@@H]1COC[C@@H]1OC)c1ccc(C#N)cc1 ZINC000414191814 280962908 /nfs/dbraw/zinc/96/29/08/280962908.db2.gz VGMLINIDJRLRBR-ZNMIVQPWSA-N 0 3 260.337 2.013 20 30 CEEDHN CN(C)[C@@H]1CCCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000112830781 289290663 /nfs/dbraw/zinc/29/06/63/289290663.db2.gz CEWCYDQAQFGCRZ-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(C#N)cc1 ZINC000368494166 290041249 /nfs/dbraw/zinc/04/12/49/290041249.db2.gz DSKYMTUDNOVAQV-KCTSRDHCSA-N 0 3 283.375 2.266 20 30 CEEDHN CCO[C@@H]1C[C@@H]1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000577175780 314348982 /nfs/dbraw/zinc/34/89/82/314348982.db2.gz IDIRAEAQDUNOJG-JKSUJKDBSA-N 0 3 296.374 2.226 20 30 CEEDHN Cc1cc(CN[C@@H]2CC(=O)N3CCCC[C@@H]23)ccc1C#N ZINC000578526172 314490471 /nfs/dbraw/zinc/49/04/71/314490471.db2.gz XPPYZKKMNGHPQC-CVEARBPZSA-N 0 3 283.375 2.110 20 30 CEEDHN CC[C@@H](CC(F)(F)F)N[C@@H](C)C(=O)N(C)CCC#N ZINC000354562450 327904738 /nfs/dbraw/zinc/90/47/38/327904738.db2.gz HWPLTKXNCGKEOG-UWVGGRQHSA-N 0 3 279.306 2.068 20 30 CEEDHN CC[C@H](CC(F)(F)F)N[C@H](C)C(=O)N(C)CCC#N ZINC000354562448 327904754 /nfs/dbraw/zinc/90/47/54/327904754.db2.gz HWPLTKXNCGKEOG-NXEZZACHSA-N 0 3 279.306 2.068 20 30 CEEDHN CC[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(C)cc1 ZINC000571294355 328100173 /nfs/dbraw/zinc/10/01/73/328100173.db2.gz INNXUNBHTDAHMO-IAGOWNOFSA-N 0 3 289.423 2.242 20 30 CEEDHN C[C@H]1OCC[C@@H]1N(CCO)CCC1(C#N)CCCCC1 ZINC000411664254 328098244 /nfs/dbraw/zinc/09/82/44/328098244.db2.gz QPVXKLNTSHCDOP-CABCVRRESA-N 0 3 280.412 2.322 20 30 CEEDHN C=CCC[C@H](O)CN1CCOC2(CCCCC2)C1 ZINC000177547648 329185576 /nfs/dbraw/zinc/18/55/76/329185576.db2.gz GSLXHPUMUYHRFB-AWEZNQCLSA-N 0 3 253.386 2.349 20 30 CEEDHN COC(=O)COC[C@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000295895021 328287754 /nfs/dbraw/zinc/28/77/54/328287754.db2.gz YULROXRDVBJJJB-DZGCQCFKSA-N 0 3 290.363 2.199 20 30 CEEDHN COc1cc(CN[C@H](C)[C@H](OC)C2CC2)ccc1C#N ZINC000388336063 321884674 /nfs/dbraw/zinc/88/46/74/321884674.db2.gz HKMBMRWAMMUHQL-BZNIZROVSA-N 0 3 274.364 2.470 20 30 CEEDHN CC(C(=O)Nc1cc(CC#N)ccn1)C(F)(F)F ZINC000531928559 328319271 /nfs/dbraw/zinc/31/92/71/328319271.db2.gz MGUIUMYPPHJJAD-ZETCQYMHSA-N 0 3 257.215 2.285 20 30 CEEDHN CC1(C)[C@H](O)C[C@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000580343378 322312826 /nfs/dbraw/zinc/31/28/26/322312826.db2.gz NGPGBFDNWVVHRZ-CHWSQXEVSA-N 0 3 296.317 2.409 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ncc2c(c1C#N)CCC2 ZINC000580829651 322347023 /nfs/dbraw/zinc/34/70/23/322347023.db2.gz MSPFSCFBFQLDHK-ZBEGNZNMSA-N 0 3 282.391 2.337 20 30 CEEDHN CN1CCN(Cc2ccc(C#N)cn2)C2(CCCCC2)C1 ZINC000581465301 322398090 /nfs/dbraw/zinc/39/80/90/322398090.db2.gz OYZWILDRSSHKHO-UHFFFAOYSA-N 0 3 284.407 2.404 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415976747 328431920 /nfs/dbraw/zinc/43/19/20/328431920.db2.gz RIBYGZXMNAKZED-NSHDSACASA-N 0 3 290.342 2.285 20 30 CEEDHN C#Cc1ccc(CNCC2(S(C)(=O)=O)CCCC2)cc1 ZINC000289547717 328527105 /nfs/dbraw/zinc/52/71/05/328527105.db2.gz IIWNSGBTCMNPNM-UHFFFAOYSA-N 0 3 291.416 2.115 20 30 CEEDHN C=C[C@@H](CO)NCc1cccc(OCC(F)(F)F)c1 ZINC000289983738 328528252 /nfs/dbraw/zinc/52/82/52/328528252.db2.gz WZEFYYDWCBJDSM-NSHDSACASA-N 0 3 275.270 2.264 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C2CCCC2)C1 ZINC000557667243 327019686 /nfs/dbraw/zinc/01/96/86/327019686.db2.gz LGYYPFXXXREEKD-DZGCQCFKSA-N 0 3 289.423 2.449 20 30 CEEDHN CC(C#N)C(=O)N(C)CCCOCc1ccccc1 ZINC000343977371 327037292 /nfs/dbraw/zinc/03/72/92/327037292.db2.gz RNEDYYQFLSZPRX-ZDUSSCGKSA-N 0 3 260.337 2.211 20 30 CEEDHN CC(C)[C@H](NC[C@H](C#N)CCC#N)C1(CO)CCC1 ZINC000576754965 327039462 /nfs/dbraw/zinc/03/94/62/327039462.db2.gz ACDODMJXTVEMPE-KBPBESRZSA-N 0 3 263.385 2.207 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000248636549 327507578 /nfs/dbraw/zinc/50/75/78/327507578.db2.gz YEPRLZWQAQLRIL-SQWLQELKSA-N 0 3 276.424 2.273 20 30 CEEDHN CC(C)(CCC#N)CN[C@H](C(N)=O)c1ccc(F)cc1 ZINC000352250429 328746988 /nfs/dbraw/zinc/74/69/88/328746988.db2.gz NOEUVBYFIGSBLJ-ZDUSSCGKSA-N 0 3 277.343 2.272 20 30 CEEDHN CC(C)[C@@H](O)CNCc1cccc(OCCCC#N)c1 ZINC000116349839 328936188 /nfs/dbraw/zinc/93/61/88/328936188.db2.gz RWVXYQCPBGZUAP-INIZCTEOSA-N 0 3 276.380 2.476 20 30 CEEDHN C#CCCN1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000378410021 329049438 /nfs/dbraw/zinc/04/94/38/329049438.db2.gz FQIGHKOOGQDURN-OAHLLOKOSA-N 0 3 274.408 2.124 20 30 CEEDHN Cc1cc(C(=O)NC2CCN(CCCC#N)CC2)c(C)o1 ZINC000170776391 329068089 /nfs/dbraw/zinc/06/80/89/329068089.db2.gz JLTJBUNDJKSECC-UHFFFAOYSA-N 0 3 289.379 2.394 20 30 CEEDHN C=CCn1cc(CNC2CCC3(CCOCC3)CC2)nn1 ZINC000582661644 329120779 /nfs/dbraw/zinc/12/07/79/329120779.db2.gz ZXZJMSIIASBTPE-UHFFFAOYSA-N 0 3 290.411 2.293 20 30 CEEDHN CCCCCN(CCCC(C)(C)C#N)CC(N)=O ZINC000183028011 329246239 /nfs/dbraw/zinc/24/62/39/329246239.db2.gz VVAGZZNNSAJHMH-UHFFFAOYSA-N 0 3 253.390 2.294 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC000183676707 329249495 /nfs/dbraw/zinc/24/94/95/329249495.db2.gz BEIZHOWKRPWOIS-STQMWFEESA-N 0 3 252.402 2.435 20 30 CEEDHN C=C(C)CN(CCc1cn[nH]c1)Cc1ccc(CO)o1 ZINC000459472507 329258794 /nfs/dbraw/zinc/25/87/94/329258794.db2.gz VVDSRKSNQAPFPJ-UHFFFAOYSA-N 0 3 275.352 2.116 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)NCCN1CCC(C)CC1 ZINC000185137375 329266406 /nfs/dbraw/zinc/26/64/06/329266406.db2.gz BMYJYHCHNMPVPB-CQSZACIVSA-N 0 3 252.402 2.437 20 30 CEEDHN CC#CCCCC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000185296844 329270364 /nfs/dbraw/zinc/27/03/64/329270364.db2.gz MLRBDHZIJUAJFL-OAHLLOKOSA-N 0 3 264.413 2.417 20 30 CEEDHN C#C[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000185361790 329271171 /nfs/dbraw/zinc/27/11/71/329271171.db2.gz VNIPYAWKKLZANK-DZGCQCFKSA-N 0 3 288.366 2.176 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000582849183 329279583 /nfs/dbraw/zinc/27/95/83/329279583.db2.gz RGSWARNFQRAOSA-RHSMWYFYSA-N 0 3 296.455 2.404 20 30 CEEDHN C=CCn1c(SC[C@H]2CCN(C)C2)nnc1C1CC1 ZINC000187662105 329360246 /nfs/dbraw/zinc/36/02/46/329360246.db2.gz KFLBLJDPTNOCRZ-NSHDSACASA-N 0 3 278.425 2.385 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C)[C@H]2CC)CC1 ZINC000188042055 329363794 /nfs/dbraw/zinc/36/37/94/329363794.db2.gz QAMCSSIYNSJVSE-UKRRQHHQSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCN(CC=C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418552216 329533596 /nfs/dbraw/zinc/53/35/96/329533596.db2.gz KGFBEWFAIDWQAZ-UHFFFAOYSA-N 0 3 271.364 2.173 20 30 CEEDHN C=CC[C@H](C)NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418641301 329537996 /nfs/dbraw/zinc/53/79/96/329537996.db2.gz RYKPLBKCWCQHMD-WFASDCNBSA-N 0 3 273.380 2.137 20 30 CEEDHN C=CCc1cc(CN[C@H]2C[C@@H]2OCC)cc(OC)c1O ZINC000580419458 330128725 /nfs/dbraw/zinc/12/87/25/330128725.db2.gz GASVXAZFXYMQAQ-KBPBESRZSA-N 0 3 277.364 2.396 20 30 CEEDHN N#CCc1ccc(CN(CCO)[C@H]2CCCSC2)cc1 ZINC000433200111 330209825 /nfs/dbraw/zinc/20/98/25/330209825.db2.gz GFDQCUBDFPQOOI-INIZCTEOSA-N 0 3 290.432 2.443 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000424071165 330220096 /nfs/dbraw/zinc/22/00/96/330220096.db2.gz UJHYVCVEVYBNJI-JKSUJKDBSA-N 0 3 285.391 2.241 20 30 CEEDHN CN(Cc1c(F)cccc1Cl)C(=O)[C@H](N)CCCC#N ZINC000424074336 330220427 /nfs/dbraw/zinc/22/04/27/330220427.db2.gz HAOTVNFUAXNSNR-CYBMUJFWSA-N 0 3 297.761 2.459 20 30 CEEDHN CSc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424075586 330220786 /nfs/dbraw/zinc/22/07/86/330220786.db2.gz JTQLEQBCZMIBHQ-GFCCVEGCSA-N 0 3 263.366 2.368 20 30 CEEDHN CCOc1cc(C)ccc1NC(=O)[C@H](N)CCCC#N ZINC000424096562 330227599 /nfs/dbraw/zinc/22/75/99/330227599.db2.gz YHGDJQGHPOYZJQ-GFCCVEGCSA-N 0 3 275.352 2.353 20 30 CEEDHN C[C@H](CNC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1 ZINC000424101192 330233409 /nfs/dbraw/zinc/23/34/09/330233409.db2.gz JDWCVQIFTKEADM-RISCZKNCSA-N 0 3 277.343 2.067 20 30 CEEDHN CCOc1cc(NC(=O)[C@H](N)CCCC#N)ccc1OC ZINC000424104505 330233873 /nfs/dbraw/zinc/23/38/73/330233873.db2.gz UMUKHCDBWNWMLC-GFCCVEGCSA-N 0 3 291.351 2.054 20 30 CEEDHN CC(C)(C)c1cnc(NC(=O)[C@@H](N)CCCC#N)s1 ZINC000424111408 330239676 /nfs/dbraw/zinc/23/96/76/330239676.db2.gz GJYMBBYGPBDEGR-VIFPVBQESA-N 0 3 280.397 2.400 20 30 CEEDHN C[C@@H](CN(C)C(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424114812 330242961 /nfs/dbraw/zinc/24/29/61/330242961.db2.gz SEJDEWRFXLLXJU-ZFWWWQNUSA-N 0 3 273.380 2.270 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccccc1OCC1CC1 ZINC000424130640 330261588 /nfs/dbraw/zinc/26/15/88/330261588.db2.gz UCIZOHBQJQLOOO-CYBMUJFWSA-N 0 3 287.363 2.435 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCc2ccccc21 ZINC000328048898 330290497 /nfs/dbraw/zinc/29/04/97/330290497.db2.gz YWHJHTRLPLCZTM-QGZVFWFLSA-N 0 3 284.403 2.178 20 30 CEEDHN CC(C)(C)c1csc(CNC(=O)[C@H](N)CCCC#N)n1 ZINC000424159416 330306199 /nfs/dbraw/zinc/30/61/99/330306199.db2.gz SQNMGYAYJWFSJC-SNVBAGLBSA-N 0 3 294.424 2.078 20 30 CEEDHN CCO[C@@H]1C[C@H](NC(=O)[C@@H](N)CCCC#N)C1(CC)CC ZINC000424159707 330306250 /nfs/dbraw/zinc/30/62/50/330306250.db2.gz VMLLPJOGQNEALH-MELADBBJSA-N 0 3 295.427 2.108 20 30 CEEDHN C=CCn1cc(CN[C@H]2CCc3ccccc3C2)nn1 ZINC000424167950 330309867 /nfs/dbraw/zinc/30/98/67/330309867.db2.gz DVXFAFDYYSWMCA-HNNXBMFYSA-N 0 3 268.364 2.111 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000424177508 330317633 /nfs/dbraw/zinc/31/76/33/330317633.db2.gz UFXAWHDDZIIBAH-FZMZJTMJSA-N 0 3 280.299 2.415 20 30 CEEDHN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)[C@H](N)CCCC#N ZINC000424191512 330323894 /nfs/dbraw/zinc/32/38/94/330323894.db2.gz RIEDXBMMVCKACA-ZJUUUORDSA-N 0 3 291.317 2.197 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1cc2n(n1)CCC2 ZINC000424293309 330335360 /nfs/dbraw/zinc/33/53/60/330335360.db2.gz IHNSOLXNBWCNAY-XUJVJEKNSA-N 0 3 261.369 2.071 20 30 CEEDHN C=CCn1cc(CN[C@H](C)Cc2ccc(OC)cc2)nn1 ZINC000424299659 330336834 /nfs/dbraw/zinc/33/68/34/330336834.db2.gz VVHOHTHOKVIIOQ-CYBMUJFWSA-N 0 3 286.379 2.194 20 30 CEEDHN COCC1(C#N)CCN(CCN2CCc3ccccc32)CC1 ZINC000428976630 330535920 /nfs/dbraw/zinc/53/59/20/330535920.db2.gz LOHKXAIEMHWTOL-UHFFFAOYSA-N 0 3 299.418 2.301 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)NCC1(CC#N)CC1 ZINC000430688330 330570621 /nfs/dbraw/zinc/57/06/21/330570621.db2.gz WRUNPRYODWHFMG-KBPBESRZSA-N 0 3 292.427 2.242 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000433373833 330627379 /nfs/dbraw/zinc/62/73/79/330627379.db2.gz HNNYXMZCNQMZGF-LSDHHAIUSA-N 0 3 273.380 2.488 20 30 CEEDHN CCS(=O)(=O)c1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442881134 330790261 /nfs/dbraw/zinc/79/02/61/330790261.db2.gz YXZGJVBSHQNHPN-TZMCWYRMSA-N 0 3 292.404 2.262 20 30 CEEDHN C=CC(C)(C)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000448937054 330888877 /nfs/dbraw/zinc/88/88/77/330888877.db2.gz OSCRRFHWEUGXPD-UHFFFAOYSA-N 0 3 282.428 2.204 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1CCO ZINC000451053829 331013650 /nfs/dbraw/zinc/01/36/50/331013650.db2.gz FTALWKOSFIPWHR-CVEARBPZSA-N 0 3 286.375 2.132 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000451292437 331023508 /nfs/dbraw/zinc/02/35/08/331023508.db2.gz DFONVSZRPUMBRM-GFCCVEGCSA-N 0 3 252.402 2.435 20 30 CEEDHN CC[C@@H]1CN(CC)CCN1CCCSCC#N ZINC000451728993 331040473 /nfs/dbraw/zinc/04/04/73/331040473.db2.gz IHNXJYYRFFWZEN-CYBMUJFWSA-N 0 3 255.431 2.049 20 30 CEEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC#Cc1ccc(F)cc1 ZINC000451782716 331041892 /nfs/dbraw/zinc/04/18/92/331041892.db2.gz LBGFRJXUWCYRHE-CVEARBPZSA-N 0 3 289.350 2.499 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@]2(CCOC2)C1 ZINC000451898897 331046628 /nfs/dbraw/zinc/04/66/28/331046628.db2.gz JUEOYTKFFLMNDE-WBVHZDCISA-N 0 3 292.423 2.078 20 30 CEEDHN C=CCCCCCN1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000452003850 331050075 /nfs/dbraw/zinc/05/00/75/331050075.db2.gz ADFXZMJJFPAWCK-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1[C@H](C)CCC1(C)C ZINC000452007646 331050231 /nfs/dbraw/zinc/05/02/31/331050231.db2.gz RBOTUMYNRWPLHF-CYBMUJFWSA-N 0 3 250.386 2.450 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H]1CCC[C@H]1OCC ZINC000452020010 331050700 /nfs/dbraw/zinc/05/07/00/331050700.db2.gz MUMJMGXFMHUEFI-RBSFLKMASA-N 0 3 280.412 2.123 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1cccc(C)c1 ZINC000452097593 331054137 /nfs/dbraw/zinc/05/41/37/331054137.db2.gz YOKFHWBXAHXKSQ-QWHCGFSZSA-N 0 3 289.379 2.046 20 30 CEEDHN C=CC(C)(C)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000452188646 331057540 /nfs/dbraw/zinc/05/75/40/331057540.db2.gz CSEYMNPKKBASBW-HNNXBMFYSA-N 0 3 288.391 2.404 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(C(=O)OC)co1 ZINC000453334578 331118176 /nfs/dbraw/zinc/11/81/76/331118176.db2.gz FAUWXIHXNGEJDQ-RTXFEEFZSA-N 0 3 279.336 2.450 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000453354340 331121373 /nfs/dbraw/zinc/12/13/73/331121373.db2.gz KXSQTAFCFBLFCZ-UHTWSYAYSA-N 0 3 261.321 2.409 20 30 CEEDHN C=C(CC)CNC(=O)NCCN1CCCC[C@H]1C ZINC000454326819 331144174 /nfs/dbraw/zinc/14/41/74/331144174.db2.gz SRDPGQBJKQAESA-CYBMUJFWSA-N 0 3 253.390 2.126 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2CF)CC1 ZINC000454461471 331146712 /nfs/dbraw/zinc/14/67/12/331146712.db2.gz JLMOVFBADDNGGG-CQSZACIVSA-N 0 3 283.391 2.170 20 30 CEEDHN CC#CCN(C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000457925210 331237714 /nfs/dbraw/zinc/23/77/14/331237714.db2.gz JUSAGJTZDZFKGK-NVXWUHKLSA-N 0 3 299.418 2.487 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC000458332860 331249108 /nfs/dbraw/zinc/24/91/08/331249108.db2.gz KKJBRNSVGJXEAE-GDBMZVCRSA-N 0 3 279.428 2.371 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)N(C)CC(C)(C)C#N ZINC000458341335 331249474 /nfs/dbraw/zinc/24/94/74/331249474.db2.gz LTKTVRUVGVFATA-OKILXGFUSA-N 0 3 294.443 2.440 20 30 CEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)N(C)C[C@H](C)C#N ZINC000458936253 331263215 /nfs/dbraw/zinc/26/32/15/331263215.db2.gz MXJDXWXXQACVCQ-CABCVRRESA-N 0 3 294.443 2.298 20 30 CEEDHN C[C@H](CC[S@](C)=O)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000164635581 331271156 /nfs/dbraw/zinc/27/11/56/331271156.db2.gz PHMZGKPYXFNXKT-MTJIALIYSA-N 0 3 294.420 2.397 20 30 CEEDHN N#C[C@@H]1CCC[C@@H]1NC/C=C\CN[C@@H]1CCC[C@@H]1C#N ZINC000459480889 331284165 /nfs/dbraw/zinc/28/41/65/331284165.db2.gz PTLPQFLTETVCLK-UYRVCGCOSA-N 0 3 272.396 2.106 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2(CC)CC2)CC1 ZINC000487247770 331960877 /nfs/dbraw/zinc/96/08/77/331960877.db2.gz VOBAXIGIFYKUHM-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000488977532 332036458 /nfs/dbraw/zinc/03/64/58/332036458.db2.gz MFTXFNVPCTUWBW-CQSZACIVSA-N 0 3 275.396 2.088 20 30 CEEDHN C=CCCCS(=O)(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000489134494 332042174 /nfs/dbraw/zinc/04/21/74/332042174.db2.gz UYJUZAFOYYAFIE-KGLIPLIRSA-N 0 3 288.457 2.135 20 30 CEEDHN C#CCN1CCC(C(=O)NCCC2=CCCCC2)CC1 ZINC000490574889 332092838 /nfs/dbraw/zinc/09/28/38/332092838.db2.gz DKCLSYAJWCTWTN-UHFFFAOYSA-N 0 3 274.408 2.338 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc3c2ccn3C)CC1 ZINC000490605619 332095080 /nfs/dbraw/zinc/09/50/80/332095080.db2.gz SATWRMXRWJCWQC-UHFFFAOYSA-N 0 3 295.386 2.462 20 30 CEEDHN C#C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)C(C)C ZINC000490638544 332099202 /nfs/dbraw/zinc/09/92/02/332099202.db2.gz XTQXNDNDDKHSCY-CRWXNKLISA-N 0 3 250.386 2.022 20 30 CEEDHN C#CCN(CC)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000490780267 332115259 /nfs/dbraw/zinc/11/52/59/332115259.db2.gz INTIXXYYAQHEKA-UHFFFAOYSA-N 0 3 289.379 2.114 20 30 CEEDHN C#CCNC(=O)CCN[C@@H]1CCc2cc(Cl)ccc21 ZINC000491125038 332153215 /nfs/dbraw/zinc/15/32/15/332153215.db2.gz AQQSCBXAGVNPIQ-CQSZACIVSA-N 0 3 276.767 2.056 20 30 CEEDHN C#CCNC(=O)C1CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000491153677 332157418 /nfs/dbraw/zinc/15/74/18/332157418.db2.gz CBDHZOCZGZGTLG-UHFFFAOYSA-N 0 3 284.403 2.265 20 30 CEEDHN C#C[C@H](CCC)NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000491240543 332172084 /nfs/dbraw/zinc/17/20/84/332172084.db2.gz AOJHPPRWJYQERB-RFQIPJPRSA-N 0 3 250.386 2.166 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000491349300 332194513 /nfs/dbraw/zinc/19/45/13/332194513.db2.gz HVQPGBLLCLGVEY-QGZVFWFLSA-N 0 3 297.402 2.145 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000491452550 332214106 /nfs/dbraw/zinc/21/41/06/332214106.db2.gz LPPQVMJJEHGUQP-RDJZCZTQSA-N 0 3 291.439 2.163 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](CC)[C@H]2CC2(C)C)CC1 ZINC000491638074 332258613 /nfs/dbraw/zinc/25/86/13/332258613.db2.gz XWBJZTXNOQVWGS-HUUCEWRRSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC(C)(C2CC2)CC1 ZINC000491656003 332267955 /nfs/dbraw/zinc/26/79/55/332267955.db2.gz HIZOCSHZPXWDFM-UHFFFAOYSA-N 0 3 291.439 2.163 20 30 CEEDHN C#C[C@H](C)N(C)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000491660090 332270629 /nfs/dbraw/zinc/27/06/29/332270629.db2.gz NFKFTLACJZNAFA-LESCRADOSA-N 0 3 287.403 2.395 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1CC12CCCCC2 ZINC000491666761 332275084 /nfs/dbraw/zinc/27/50/84/332275084.db2.gz QQMHWKJOEXQSGL-CQSZACIVSA-N 0 3 262.397 2.028 20 30 CEEDHN C#CCN(C[C@H](O)CN(C)C1CC1)[C@@H]1CCc2ccccc21 ZINC000491689156 332286619 /nfs/dbraw/zinc/28/66/19/332286619.db2.gz GVMCMMFURVHGPC-IEBWSBKVSA-N 0 3 298.430 2.064 20 30 CEEDHN C#C[C@H](NC(=O)[C@H]1CCCN1CCC)C(C)(C)C ZINC000491789498 332351712 /nfs/dbraw/zinc/35/17/12/332351712.db2.gz VBZWPXPTIRZCQD-OLZOCXBDSA-N 0 3 250.386 2.025 20 30 CEEDHN C#CCNC(=O)CCN(C)Cc1ccc(F)c(Cl)c1 ZINC000491790270 332352419 /nfs/dbraw/zinc/35/24/19/332352419.db2.gz YDUPHDWTGZQYNN-UHFFFAOYSA-N 0 3 282.746 2.050 20 30 CEEDHN C#Cc1cccc(N(CC)C(=O)/C=C\CN(C)C)c1 ZINC000491906324 332374531 /nfs/dbraw/zinc/37/45/31/332374531.db2.gz PBWZXFZZQIKWJU-FLIBITNWSA-N 0 3 256.349 2.139 20 30 CEEDHN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)C(C)C#N ZINC000491917280 332375172 /nfs/dbraw/zinc/37/51/72/332375172.db2.gz BQWAMNJROWQBLA-NSHDSACASA-N 0 3 297.399 2.346 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C\c2cccc(O)c2)CC1 ZINC000492732530 332411227 /nfs/dbraw/zinc/41/12/27/332411227.db2.gz FNPZARDNWYOCPA-FPLPWBNLSA-N 0 3 298.386 2.009 20 30 CEEDHN CCOC(=O)N(C)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000495650167 332525932 /nfs/dbraw/zinc/52/59/32/332525932.db2.gz GUIHHSQXDWTDMT-TZMCWYRMSA-N 0 3 279.384 2.231 20 30 CEEDHN C[C@H]1C[C@@H](NCCC#N)CCN1C(=O)OC(C)(C)C ZINC000496964929 332565769 /nfs/dbraw/zinc/56/57/69/332565769.db2.gz UXYBXHJLOJJHHE-RYUDHWBXSA-N 0 3 267.373 2.278 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@@H](C)C1(C)CC1 ZINC000177248396 333056057 /nfs/dbraw/zinc/05/60/57/333056057.db2.gz JUWJRFRZRYQDTD-STQMWFEESA-N 0 3 265.401 2.115 20 30 CEEDHN C#C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1)C(C)C ZINC000311287816 333066684 /nfs/dbraw/zinc/06/66/84/333066684.db2.gz NFBHJQNIRBDFHY-HIFRSBDPSA-N 0 3 281.783 2.327 20 30 CEEDHN C=CCC[C@H](C)NCc1cc(=O)n2ccccc2n1 ZINC000521055201 333110735 /nfs/dbraw/zinc/11/07/35/333110735.db2.gz ZNNQOQSIJHWALB-LBPRGKRZSA-N 0 3 257.337 2.139 20 30 CEEDHN C=CCCCCCN1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000192822140 333239738 /nfs/dbraw/zinc/23/97/38/333239738.db2.gz AVCNVEGGYWQJFI-LSDHHAIUSA-N 0 3 254.418 2.120 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc3c(c2)CCCO3)CC1 ZINC000195412285 333252497 /nfs/dbraw/zinc/25/24/97/333252497.db2.gz SJIBMXOSQKXUIP-UHFFFAOYSA-N 0 3 298.386 2.295 20 30 CEEDHN C=CCCOCCNCc1c(C)nc2ccccn21 ZINC000229879561 333310471 /nfs/dbraw/zinc/31/04/71/333310471.db2.gz HAVCRLUVQXTHCP-UHFFFAOYSA-N 0 3 259.353 2.325 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CCC)OCC)CC1 ZINC000528449591 333438856 /nfs/dbraw/zinc/43/88/56/333438856.db2.gz OFTGWEDRNIMCNR-OAHLLOKOSA-N 0 3 282.428 2.348 20 30 CEEDHN C=C(C)COCCNC(=O)c1ccc(CN(C)C)cc1 ZINC000126082933 333590411 /nfs/dbraw/zinc/59/04/11/333590411.db2.gz OHKOCUNNKVMAQY-UHFFFAOYSA-N 0 3 276.380 2.071 20 30 CEEDHN C=C(C)COCCNCc1cnc2c(C)cccn12 ZINC000134507512 334092558 /nfs/dbraw/zinc/09/25/58/334092558.db2.gz MRFHRHJGJHCZKG-UHFFFAOYSA-N 0 3 259.353 2.325 20 30 CEEDHN CC(C)(CCC#N)CNCc1nnc2ccccn21 ZINC000135130320 334117121 /nfs/dbraw/zinc/11/71/21/334117121.db2.gz GIMOFOARQFGJMD-UHFFFAOYSA-N 0 3 257.341 2.149 20 30 CEEDHN CN(C(=O)[C@@H]1CCN(Cc2ccccc2)C1)C1(C#N)CCC1 ZINC000576954122 335269075 /nfs/dbraw/zinc/26/90/75/335269075.db2.gz GCJNLWYZEXDCSZ-MRXNPFEDSA-N 0 3 297.402 2.413 20 30 CEEDHN C=CCCCCCNC(=O)C12CCCN1CCC2 ZINC000581201695 336024139 /nfs/dbraw/zinc/02/41/39/336024139.db2.gz OJMYIYNKOYCHII-UHFFFAOYSA-N 0 3 250.386 2.477 20 30 CEEDHN C=C(C)Cn1c(CC)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000581411484 336071810 /nfs/dbraw/zinc/07/18/10/336071810.db2.gz RSCNHQRBCFZSHM-AWEZNQCLSA-N 0 3 291.443 2.337 20 30 CEEDHN C[C@H](NC([O-])=[NH+][C@H]1CCn2ccnc2C1)C1CCCC1 ZINC000330201918 534280159 /nfs/dbraw/zinc/28/01/59/534280159.db2.gz YOWSVVGFMSKXTP-AAEUAGOBSA-N 0 3 276.384 2.280 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000347755949 534283919 /nfs/dbraw/zinc/28/39/19/534283919.db2.gz QQKVRXUOTJKYIO-NEPJUHHUSA-N 0 3 268.320 2.209 20 30 CEEDHN C[C@H]1CSCCN1CCOc1ccc(C#N)cc1 ZINC000070219803 524755790 /nfs/dbraw/zinc/75/57/90/524755790.db2.gz PWOMPJLTGBWNRV-LBPRGKRZSA-N 0 3 262.378 2.374 20 30 CEEDHN CC(C)(C)N1CCCN(C(=O)C2(C#N)CCC2)CC1 ZINC000335991576 526286584 /nfs/dbraw/zinc/28/65/84/526286584.db2.gz LEFCFYZXECGNTK-UHFFFAOYSA-N 0 3 263.385 2.013 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)C[C@H]2C)CC1 ZINC000336013506 526589422 /nfs/dbraw/zinc/58/94/22/526589422.db2.gz ITDZEEZIGIUQAJ-ZIAGYGMSSA-N 0 3 279.428 2.467 20 30 CEEDHN C#CCCN1C[C@H](C(=O)OC)C[C@H](c2ccccc2)C1 ZINC000366881266 526730395 /nfs/dbraw/zinc/73/03/95/526730395.db2.gz PLPMPOOYMHQHGR-JKSUJKDBSA-N 0 3 271.360 2.288 20 30 CEEDHN CC(C)(NCC(=O)NC1(C#N)CCC1)c1cccs1 ZINC000347173419 527289863 /nfs/dbraw/zinc/28/98/63/527289863.db2.gz SVDUAZZLYZQNQL-UHFFFAOYSA-N 0 3 277.393 2.135 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000346426182 527397333 /nfs/dbraw/zinc/39/73/33/527397333.db2.gz YGSIBYYJSCBUIG-LSDHHAIUSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCC[C@H](NC[C@@H](O)COCC)c1ccco1 ZINC000353519008 527484124 /nfs/dbraw/zinc/48/41/24/527484124.db2.gz LUTSVVBBBRCPOS-OLZOCXBDSA-N 0 3 253.342 2.274 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000336185669 527485090 /nfs/dbraw/zinc/48/50/90/527485090.db2.gz ZHFKKWMUYUJEKQ-CVEARBPZSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccnc(OC)c1 ZINC000347640228 527495451 /nfs/dbraw/zinc/49/54/51/527495451.db2.gz LGPBWEWURJLTHB-AAEUAGOBSA-N 0 3 250.342 2.068 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)C[C@@H]1CCOC1)C(C)C ZINC000351980497 527648631 /nfs/dbraw/zinc/64/86/31/527648631.db2.gz CVOSNCRDEQWPDA-JKSUJKDBSA-N 0 3 294.439 2.228 20 30 CEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)C(C)C#N ZINC000347074386 528133376 /nfs/dbraw/zinc/13/33/76/528133376.db2.gz RBNAXKAICPJACU-GFCCVEGCSA-N 0 3 255.321 2.457 20 30 CEEDHN CC(C)N(Cc1ccc(F)c(C#N)c1)C[C@@H]1CCC(=O)N1 ZINC000412063696 528939423 /nfs/dbraw/zinc/93/94/23/528939423.db2.gz CACAKBFDGJFBKO-AWEZNQCLSA-N 0 3 289.354 2.186 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)c2ccc3nsnc3c2)C1 ZINC000329249621 529047119 /nfs/dbraw/zinc/04/71/19/529047119.db2.gz XFDKGVLVKMNMIP-LLVKDONJSA-N 0 3 290.392 2.480 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000354851137 529351143 /nfs/dbraw/zinc/35/11/43/529351143.db2.gz OZHZKPKPQMCGJM-UKRRQHHQSA-N 0 3 265.401 2.307 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccccc1F ZINC000726858880 574431211 /nfs/dbraw/zinc/43/12/11/574431211.db2.gz XIEKLJOSACXGSN-WCQYABFASA-N 0 3 288.322 2.330 20 30 CEEDHN N#CCCCCNCc1cn(-c2ccccc2)nn1 ZINC000729679147 574490439 /nfs/dbraw/zinc/49/04/39/574490439.db2.gz FBHDIBDDFQJRJK-UHFFFAOYSA-N 0 3 255.325 2.051 20 30 CEEDHN C#CCOCCN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000753768769 574515763 /nfs/dbraw/zinc/51/57/63/574515763.db2.gz MXJLOFXUUNNZIQ-CQSZACIVSA-N 0 3 283.375 2.481 20 30 CEEDHN C[C@H](CC#N)NCCCN(C)C(=O)OC(C)(C)C ZINC000731484419 574596793 /nfs/dbraw/zinc/59/67/93/574596793.db2.gz LBHZOGQKJUEVDF-LLVKDONJSA-N 0 3 255.362 2.135 20 30 CEEDHN C=C(CN(C)C)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000764604567 574599935 /nfs/dbraw/zinc/59/99/35/574599935.db2.gz NPUULWBUEMRDDF-ZIAGYGMSSA-N 0 3 260.381 2.413 20 30 CEEDHN CN(C(=O)/C=C/c1ccccc1C#N)[C@H]1CCN(C2CC2)C1 ZINC000732034285 574610409 /nfs/dbraw/zinc/61/04/09/574610409.db2.gz FPYMXSIQWKLMLD-NADMHLTPSA-N 0 3 295.386 2.267 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](CC=C)c2ccncc2)CC1 ZINC000734233839 574706384 /nfs/dbraw/zinc/70/63/84/574706384.db2.gz ACIWISRQNUAFGV-QGZVFWFLSA-N 0 3 297.402 2.160 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCn3cccn3)nc21 ZINC000735792181 574766809 /nfs/dbraw/zinc/76/68/09/574766809.db2.gz IZZWUVRHXOWJAD-GFCCVEGCSA-N 0 3 293.330 2.334 20 30 CEEDHN CC(C#N)C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000736675265 574794280 /nfs/dbraw/zinc/79/42/80/574794280.db2.gz YJCBPERFUNLTSR-ABAIWWIYSA-N 0 3 290.338 2.257 20 30 CEEDHN CCCCCCCN1CCCC[C@@H]1CNS(C)(=O)=O ZINC000740874757 574970611 /nfs/dbraw/zinc/97/06/11/574970611.db2.gz GRCTUGZYHSCACN-CQSZACIVSA-N 0 3 290.473 2.361 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccccc2C#N)CCN1C ZINC000741722221 574995416 /nfs/dbraw/zinc/99/54/16/574995416.db2.gz DUHNTAVMCMQRSX-CBDHMYSDSA-N 0 3 283.375 2.170 20 30 CEEDHN N#Cc1ccc(CNCCN2CCc3ccccc32)o1 ZINC000742368739 575017379 /nfs/dbraw/zinc/01/73/79/575017379.db2.gz ICMBVOZXSCXMIB-UHFFFAOYSA-N 0 3 267.332 2.304 20 30 CEEDHN C#CCCN1CCC(NC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC000743493157 575105341 /nfs/dbraw/zinc/10/53/41/575105341.db2.gz IDMINYFYXXGEFQ-GJZGRUSLSA-N 0 3 276.424 2.417 20 30 CEEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CC1)c1cccc(Cl)c1 ZINC000744030580 575112307 /nfs/dbraw/zinc/11/23/07/575112307.db2.gz IBLHJSPWLHIHMB-RNCFNFMXSA-N 0 3 290.750 2.431 20 30 CEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C=CC1CC1 ZINC000744033750 575112500 /nfs/dbraw/zinc/11/25/00/575112500.db2.gz WRMNSNUERHLAQB-LAUAKBEESA-N 0 3 284.315 2.309 20 30 CEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1Cc2ccccc21 ZINC000744038992 575112739 /nfs/dbraw/zinc/11/27/39/575112739.db2.gz GBQXAXXOKYSIRA-KGLIPLIRSA-N 0 3 291.310 2.069 20 30 CEEDHN C/C=C\C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000744463479 575121840 /nfs/dbraw/zinc/12/18/40/575121840.db2.gz GLDNNGRZZUZUAP-XQRVVYSFSA-N 0 3 271.364 2.025 20 30 CEEDHN C[C@@H]1CCN(CCNC(=S)Nc2ccccc2C#N)C1 ZINC000745181333 575134716 /nfs/dbraw/zinc/13/47/16/575134716.db2.gz QTDQAPXNLFCLJF-GFCCVEGCSA-N 0 3 288.420 2.186 20 30 CEEDHN C#CCNC(=O)CN(CCC)[C@@H]1CCc2ccccc21 ZINC000746145817 575149713 /nfs/dbraw/zinc/14/97/13/575149713.db2.gz RBZBQLALJUFSJZ-MRXNPFEDSA-N 0 3 270.376 2.135 20 30 CEEDHN COc1cc(C(C)=NNC(=N)N)ccc1SC(F)F ZINC000746485322 575157128 /nfs/dbraw/zinc/15/71/28/575157128.db2.gz UNKPABARVYNSMI-UHFFFAOYSA-N 0 3 288.323 2.217 20 30 CEEDHN CCCC(C)=CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000747021272 575166290 /nfs/dbraw/zinc/16/62/90/575166290.db2.gz NIOFCIIWIUJISK-LMMOQWNQSA-N 0 3 271.320 2.475 20 30 CEEDHN CC[C@](C)(CC(=O)OC)NCc1cc(C#N)cs1 ZINC000748246141 575181036 /nfs/dbraw/zinc/18/10/36/575181036.db2.gz JXQOBSSXXXXFPQ-CYBMUJFWSA-N 0 3 266.366 2.441 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)[C@H](O)c1c(F)cccc1Cl ZINC000748385771 575185199 /nfs/dbraw/zinc/18/51/99/575185199.db2.gz IERARVVGSMNTJZ-RWYTXXIDSA-N 0 3 284.718 2.177 20 30 CEEDHN N#Cc1cccnc1NCCNc1ccnc2ccccc21 ZINC000749274540 575211640 /nfs/dbraw/zinc/21/16/40/575211640.db2.gz QENZKVMVNOECSN-UHFFFAOYSA-N 0 3 289.342 2.447 20 30 CEEDHN C#CCCN1CCC(NC(=O)CCC2CCC2)CC1 ZINC000749397205 575218117 /nfs/dbraw/zinc/21/81/17/575218117.db2.gz NDMNJPJOWIQFLT-UHFFFAOYSA-N 0 3 262.397 2.171 20 30 CEEDHN C#Cc1cccc(NC(=O)[C@@H]2CCCN2CCC)c1 ZINC000749565153 575225999 /nfs/dbraw/zinc/22/59/99/575225999.db2.gz LYGCEULETMLHRR-HNNXBMFYSA-N 0 3 256.349 2.481 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2(C)CCC2)C1 ZINC000967748677 613015398 /nfs/dbraw/zinc/01/53/98/613015398.db2.gz ONTVZQVHAISPGA-ZIAGYGMSSA-N 0 3 262.397 2.027 20 30 CEEDHN C=CCCC[N@@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819739696 606973540 /nfs/dbraw/zinc/97/35/40/606973540.db2.gz DLPDTRMYZXHQKO-UHFFFAOYSA-N 0 3 275.331 2.404 20 30 CEEDHN C=CCCC[N@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819739696 606973542 /nfs/dbraw/zinc/97/35/42/606973542.db2.gz DLPDTRMYZXHQKO-UHFFFAOYSA-N 0 3 275.331 2.404 20 30 CEEDHN C=C(CC)C[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823878172 608486521 /nfs/dbraw/zinc/48/65/21/608486521.db2.gz SBDICDNEOBFILB-NSHDSACASA-N 0 3 257.341 2.484 20 30 CEEDHN C=C(CC)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823878172 608486522 /nfs/dbraw/zinc/48/65/22/608486522.db2.gz SBDICDNEOBFILB-NSHDSACASA-N 0 3 257.341 2.484 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@H]2CCCc3ccccc32)C1 ZINC000970542440 612961423 /nfs/dbraw/zinc/96/14/23/612961423.db2.gz PCUJRFRZSNDRBC-IAGOWNOFSA-N 0 3 296.414 2.320 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(Cl)s2)C1 ZINC000970839562 612997605 /nfs/dbraw/zinc/99/76/05/612997605.db2.gz ABXUSTWXXLWMAG-JTQLQIEISA-N 0 3 296.823 2.475 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2occc2C(C)C)C1 ZINC000970321277 612998454 /nfs/dbraw/zinc/99/84/54/612998454.db2.gz YFLKTQXTMXSZHD-ZDUSSCGKSA-N 0 3 288.391 2.476 20 30 CEEDHN C#CCCN1CCCN(C(=O)CCc2ccccc2C)CC1 ZINC000982024760 613002650 /nfs/dbraw/zinc/00/26/50/613002650.db2.gz SLXFZILYNOIMJJ-UHFFFAOYSA-N 0 3 298.430 2.485 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC000964654064 613014384 /nfs/dbraw/zinc/01/43/84/613014384.db2.gz DHZSWLPDRMDXLS-CJNGLKHVSA-N 0 3 288.366 2.289 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cccn2CC=C)C1 ZINC000966692243 613015565 /nfs/dbraw/zinc/01/55/65/613015565.db2.gz HXRPDUQSYVBKAQ-HZPDHXFCSA-N 0 3 299.418 2.138 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC000967470878 613022569 /nfs/dbraw/zinc/02/25/69/613022569.db2.gz VBGVJHQEDRUSPF-HOCLYGCPSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc[nH]c2CC)C1 ZINC000965990034 613023254 /nfs/dbraw/zinc/02/32/54/613023254.db2.gz LZEPDGQKYCPDMD-BBRMVZONSA-N 0 3 287.407 2.041 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC000967470876 613024038 /nfs/dbraw/zinc/02/40/38/613024038.db2.gz VBGVJHQEDRUSPF-GOEBONIOSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ncc(C)cc2C)C1 ZINC000967420484 613025240 /nfs/dbraw/zinc/02/52/40/613025240.db2.gz 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625731813 /nfs/dbraw/zinc/73/18/13/625731813.db2.gz OPLOMOXJRZIDTG-MRXNPFEDSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CCN1CCCC[C@H]1CNC(=O)c1c[nH]c2cccnc12 ZINC001024757981 625796476 /nfs/dbraw/zinc/79/64/76/625796476.db2.gz LNPIAAWJRXBSDV-ZDUSSCGKSA-N 0 3 298.390 2.333 20 30 CEEDHN COc1ccccc1[C@@H](O)CNCc1cc(C#N)cs1 ZINC000177689091 625824183 /nfs/dbraw/zinc/82/41/83/625824183.db2.gz JAIKMRHFMILERI-AWEZNQCLSA-N 0 3 288.372 2.452 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1ccc(C)c(Cl)c1 ZINC000820688656 634504392 /nfs/dbraw/zinc/50/43/92/634504392.db2.gz XPIKDFHCKFDPTH-UHFFFAOYSA-N 0 3 292.810 2.262 20 30 CEEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC ZINC001025179474 627370443 /nfs/dbraw/zinc/37/04/43/627370443.db2.gz MMMATRQXDHLDDL-CABCVRRESA-N 0 3 262.397 2.265 20 30 CEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1ccc[nH]1 ZINC001025302982 627398590 /nfs/dbraw/zinc/39/85/90/627398590.db2.gz ZVTBEBIXWGTKIL-IAGOWNOFSA-N 0 3 299.418 2.036 20 30 CEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccoc2)C1 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C#Cc1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC000821010141 634601530 /nfs/dbraw/zinc/60/15/30/634601530.db2.gz OPLDFOPNNFEVCC-INIZCTEOSA-N 0 3 270.376 2.157 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(F)s2)C1 ZINC001025634735 627838960 /nfs/dbraw/zinc/83/89/60/627838960.db2.gz KQTKQBQUOBRPGB-VXGBXAGGSA-N 0 3 294.395 2.351 20 30 CEEDHN C#CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc([O-])cc(F)c2)C1 ZINC000926864746 627854174 /nfs/dbraw/zinc/85/41/74/627854174.db2.gz CVCDTGFAPAFRID-SWLSCSKDSA-N 0 3 276.355 2.280 20 30 CEEDHN C=CC[C@H](C)NCc1cn(Cc2ccccc2)nn1 ZINC000892949663 627886963 /nfs/dbraw/zinc/88/69/63/627886963.db2.gz AZZLIXCCVBFWLH-ZDUSSCGKSA-N 0 3 256.353 2.381 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(C3CC3)cc2)C1 ZINC001019804010 627915471 /nfs/dbraw/zinc/91/54/71/627915471.db2.gz YILGBWOWNBICDM-INIZCTEOSA-N 0 3 268.360 2.001 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001025921770 627966676 /nfs/dbraw/zinc/96/66/76/627966676.db2.gz 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MOHPEHGEOVOVRA-UHFFFAOYSA-N 0 3 265.353 2.425 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc2c(c1)COC(C)(C)O2 ZINC000895094112 629889641 /nfs/dbraw/zinc/88/96/41/629889641.db2.gz ACNYGXJAUDNTLM-OAHLLOKOSA-N 0 3 289.375 2.196 20 30 CEEDHN N#CC[C@@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000796638166 629951976 /nfs/dbraw/zinc/95/19/76/629951976.db2.gz YWTYXBBFRBSFSX-ZFWWWQNUSA-N 0 3 295.342 2.061 20 30 CEEDHN Cc1noc(C)c1C(C)(C)NCCO[C@@H](C)C#N ZINC000796672352 629964067 /nfs/dbraw/zinc/96/40/67/629964067.db2.gz MXZWJZBILKJBJF-VIFPVBQESA-N 0 3 251.330 2.045 20 30 CEEDHN CC(C)(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CCCN([O-])C2=O)C12CCC2 ZINC000895157644 629973407 /nfs/dbraw/zinc/97/34/07/629973407.db2.gz DJQIKIOJARHHPP-YNEHKIRRSA-N 0 3 296.411 2.083 20 30 CEEDHN O=C1[C@@H]([NH2+]C2CCC(=C3CCC3)CC2)CCCN1[O-] ZINC000895158373 629975900 /nfs/dbraw/zinc/97/59/00/629975900.db2.gz ZGMMIUHGAUPBLA-AWEZNQCLSA-N 0 3 264.369 2.379 20 30 CEEDHN C[C@@H](CCc1cccc(F)c1)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895161851 629980676 /nfs/dbraw/zinc/98/06/76/629980676.db2.gz IBCJWJKKGKSSEL-FZMZJTMJSA-N 0 3 280.343 2.117 20 30 CEEDHN C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895162292 629982328 /nfs/dbraw/zinc/98/23/28/629982328.db2.gz YEEWYGGASBPTDJ-BXUZGUMPSA-N 0 3 280.343 2.117 20 30 CEEDHN O=C1[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CCCN1[O-] ZINC000895162534 629982826 /nfs/dbraw/zinc/98/28/26/629982826.db2.gz MITNHUSASXOPCE-UXUKBGGZSA-N 0 3 278.327 2.042 20 30 CEEDHN Cn1c(=O)ccc2c1CCC[C@@H]2NCC#Cc1ccccc1 ZINC000895187587 630020650 /nfs/dbraw/zinc/02/06/50/630020650.db2.gz UEDDCPWJAQGFFD-KRWDZBQOSA-N 0 3 292.382 2.404 20 30 CEEDHN C#CC[C@H]1CCN(Cc2c3c(nn2C)CCSC3)C1 ZINC000895388879 630159672 /nfs/dbraw/zinc/15/96/72/630159672.db2.gz BQCXYFALDPNBJJ-LBPRGKRZSA-N 0 3 275.421 2.055 20 30 CEEDHN C#C[C@H](NCc1ccnn1C1CCC1)C1CCOCC1 ZINC000895435102 630183789 /nfs/dbraw/zinc/18/37/89/630183789.db2.gz GRIGUYDWVNCVNA-INIZCTEOSA-N 0 3 273.380 2.126 20 30 CEEDHN CC(C)(CNCC#Cc1ccccc1)[C@]1(O)CCCOC1 ZINC000895443417 630186650 /nfs/dbraw/zinc/18/66/50/630186650.db2.gz WTFBRIZFIDQIPQ-SFHVURJKSA-N 0 3 287.403 2.195 20 30 CEEDHN C[C@@H](NC[C@@H](O)c1ccccc1)c1cc(C#N)ccn1 ZINC000902723072 634794397 /nfs/dbraw/zinc/79/43/97/634794397.db2.gz LBULTFZSBMOMJV-MLGOLLRUSA-N 0 3 267.332 2.337 20 30 CEEDHN C=C1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000895627885 630279655 /nfs/dbraw/zinc/27/96/55/630279655.db2.gz RZKGHYWBNLEWAU-CYBMUJFWSA-N 0 3 265.401 2.221 20 30 CEEDHN C#CCC1(O)CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000895675118 630295462 /nfs/dbraw/zinc/29/54/62/630295462.db2.gz MUESXXUTHHUBAX-UHFFFAOYSA-N 0 3 295.386 2.427 20 30 CEEDHN C#CC1(NCc2cc(C(=O)OC)c(C)[nH]2)CCCC1 ZINC000895677950 630297154 /nfs/dbraw/zinc/29/71/54/630297154.db2.gz VSTUDGQVHZGVAA-UHFFFAOYSA-N 0 3 260.337 2.145 20 30 CEEDHN C#CCC1(O)CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000895670954 630300318 /nfs/dbraw/zinc/30/03/18/630300318.db2.gz YLQYLJWCUHQMJE-UHFFFAOYSA-N 0 3 285.347 2.020 20 30 CEEDHN CC[C@@H](N[C@@H]1CCCCNC1=O)c1cccc(C#N)c1 ZINC000902738604 634802926 /nfs/dbraw/zinc/80/29/26/634802926.db2.gz FKVBVWSEKVSDJM-HUUCEWRRSA-N 0 3 271.364 2.268 20 30 CEEDHN CC[C@H](N[C@H]1CCCCNC1=O)c1cccc(C#N)c1 ZINC000902738601 634803397 /nfs/dbraw/zinc/80/33/97/634803397.db2.gz FKVBVWSEKVSDJM-GJZGRUSLSA-N 0 3 271.364 2.268 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1N[C@H]1CCN(C)[C@H]1C ZINC000895735368 630325431 /nfs/dbraw/zinc/32/54/31/630325431.db2.gz FBGNNYNSLHVIKL-HZMBPMFUSA-N 0 3 257.337 2.265 20 30 CEEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1cn(C)nn1)C(C)C ZINC000902742232 634805221 /nfs/dbraw/zinc/80/52/21/634805221.db2.gz MACCDJYEIMZZSU-HOCLYGCPSA-N 0 3 291.443 2.164 20 30 CEEDHN COC(=O)[C@]12C[C@H]1C[C@H](NCc1csc(C#N)c1)C2 ZINC000895830510 630369170 /nfs/dbraw/zinc/36/91/70/630369170.db2.gz CXRMZSOKYGITRW-SUNKGSAMSA-N 0 3 276.361 2.051 20 30 CEEDHN C#Cc1ccc(CN[C@@]23CCC[C@]2(OC)OCC3)cc1 ZINC000896411325 630557224 /nfs/dbraw/zinc/55/72/24/630557224.db2.gz CTHDTXRZIZJIPP-SJORKVTESA-N 0 3 271.360 2.443 20 30 CEEDHN C=CCCCN(CC)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000896618122 630613537 /nfs/dbraw/zinc/61/35/37/630613537.db2.gz MMJSKKMXKZOMBZ-STQMWFEESA-N 0 3 253.390 2.077 20 30 CEEDHN CN1CCC2(CCN2c2nc(C#N)c(Cl)s2)CC1 ZINC000897133898 630951876 /nfs/dbraw/zinc/95/18/76/630951876.db2.gz RLAGWUXZCWIISF-UHFFFAOYSA-N 0 3 282.800 2.343 20 30 CEEDHN O=C1C=C(NNc2cccc3cnccc32)C2CCCN12 ZINC000799478496 631030581 /nfs/dbraw/zinc/03/05/81/631030581.db2.gz HLSCNVYSLRSWTN-HNNXBMFYSA-N 0 3 280.331 2.397 20 30 CEEDHN N#C[C@@H]1CC[C@H](NC[C@H](O)c2c(F)cccc2F)C1 ZINC000799719959 631069484 /nfs/dbraw/zinc/06/94/84/631069484.db2.gz FJPCOKVEWMMSGB-NRUUGDAUSA-N 0 3 266.291 2.280 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NC[C@H](O)c2c(F)cccc2F)C1 ZINC000799719956 631070051 /nfs/dbraw/zinc/07/00/51/631070051.db2.gz FJPCOKVEWMMSGB-BREBYQMCSA-N 0 3 266.291 2.280 20 30 CEEDHN C#CCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000800408615 631120627 /nfs/dbraw/zinc/12/06/27/631120627.db2.gz ZBEQOXJNCHGCMP-UHFFFAOYSA-N 0 3 253.349 2.352 20 30 CEEDHN CCC1(CC)CNC(=O)[C@@H]1N[C@H](C)CC(C)(C)C#N ZINC000897341868 631146023 /nfs/dbraw/zinc/14/60/23/631146023.db2.gz NEZMBZICLKHJIA-NEPJUHHUSA-N 0 3 265.401 2.209 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c([O-])cccc1OC ZINC000797878548 631180885 /nfs/dbraw/zinc/18/08/85/631180885.db2.gz ZDDJPVWMSSPSOK-WBMJQRKESA-N 0 3 277.364 2.472 20 30 CEEDHN C[C@H](CCC#N)CNC1(c2ncccn2)CCOCC1 ZINC000897360955 631187190 /nfs/dbraw/zinc/18/71/90/631187190.db2.gz VKUCIEIPSWKOHT-CYBMUJFWSA-N 0 3 274.368 2.012 20 30 CEEDHN COc1ccc([C@H](NC(C)C)C(=O)NCCCC#N)cc1 ZINC000897368002 631208148 /nfs/dbraw/zinc/20/81/48/631208148.db2.gz LOJRXMAYUYVMHR-HNNXBMFYSA-N 0 3 289.379 2.154 20 30 CEEDHN C[C@@H](C#N)OCCN(C)CCOc1ccccc1F ZINC000801911110 631347252 /nfs/dbraw/zinc/34/72/52/631347252.db2.gz FSHSAEDGVNLLDX-LBPRGKRZSA-N 0 3 266.316 2.065 20 30 CEEDHN C[C@H](C#N)OCCN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000801917562 631353141 /nfs/dbraw/zinc/35/31/41/631353141.db2.gz HLVTUJDDCFLJQO-OCCSQVGLSA-N 0 3 288.347 2.481 20 30 CEEDHN C[C@H](C#N)OCCN(C)C[C@@H](C)c1nccs1 ZINC000801940193 631365162 /nfs/dbraw/zinc/36/51/62/631365162.db2.gz YTURWMAYRWWBID-GHMZBOCLSA-N 0 3 253.371 2.107 20 30 CEEDHN C[C@@H](C#N)OCCN1CC2(CCCC2)OC(C)(C)C1 ZINC000801946407 631368068 /nfs/dbraw/zinc/36/80/68/631368068.db2.gz IDSHGMDESFACGG-ZDUSSCGKSA-N 0 3 266.385 2.339 20 30 CEEDHN C[C@H](NC[C@H]1CSCCS1)c1cc(C#N)ccn1 ZINC000902839456 634854649 /nfs/dbraw/zinc/85/46/49/634854649.db2.gz RJSOXPMDRBSLJW-JQWIXIFHSA-N 0 3 279.434 2.452 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CC(C)(C)C2CC2)C1 ZINC000988783353 631693817 /nfs/dbraw/zinc/69/38/17/631693817.db2.gz QDKJBTHEQRVTOU-JSGCOSHPSA-N 0 3 262.397 2.025 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2cccc(C3CC3)c2)C1 ZINC000989231417 631752850 /nfs/dbraw/zinc/75/28/50/631752850.db2.gz RPAUNHPGUCJFSQ-RDTXWAMCSA-N 0 3 296.414 2.319 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2cc(C)ccc2C)C1 ZINC000989394807 631807669 /nfs/dbraw/zinc/80/76/69/631807669.db2.gz CDWZKQVEVBKQKS-NVXWUHKLSA-N 0 3 284.403 2.058 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C)c(Cl)c2)C1 ZINC000989397274 631809296 /nfs/dbraw/zinc/80/92/96/631809296.db2.gz JGUAPJJATPLPGM-GXTWGEPZSA-N 0 3 290.794 2.474 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2cccc(Cl)c2)C1 ZINC000989408561 631817700 /nfs/dbraw/zinc/81/77/00/631817700.db2.gz QHPZSPYCCWPSGH-WFASDCNBSA-N 0 3 290.794 2.095 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C(C)C)cn2)C1 ZINC000989450812 632039596 /nfs/dbraw/zinc/03/95/96/632039596.db2.gz QALAGCPKRBWDNH-ZFWWWQNUSA-N 0 3 285.391 2.031 20 30 CEEDHN C=CCC[C@@H](CC)[NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898156363 632074387 /nfs/dbraw/zinc/07/43/87/632074387.db2.gz DTQRBKZNCMPCKR-OLZOCXBDSA-N 0 3 276.384 2.095 20 30 CEEDHN C#CCN1CCC(C(=O)NC2(C(F)F)CCCC2)CC1 ZINC000809368842 632083747 /nfs/dbraw/zinc/08/37/47/632083747.db2.gz QDHDOFCXCHSKDR-UHFFFAOYSA-N 0 3 284.350 2.026 20 30 CEEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H](O)CC#N ZINC000809571686 632102721 /nfs/dbraw/zinc/10/27/21/632102721.db2.gz ACBMHRMXJXTEFI-OAHLLOKOSA-N 0 3 257.337 2.045 20 30 CEEDHN C#Cc1ccc(CN(C)CCOCCOCC)cc1 ZINC000809650621 632121307 /nfs/dbraw/zinc/12/13/07/632121307.db2.gz GUCNYAUFFWZHLS-UHFFFAOYSA-N 0 3 261.365 2.153 20 30 CEEDHN C#C[C@@H](C)NCc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000809683681 632126822 /nfs/dbraw/zinc/12/68/22/632126822.db2.gz KFFDVOULNAJWIU-SNVBAGLBSA-N 0 3 287.315 2.339 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C=C)cc2)C1 ZINC000989473837 632182480 /nfs/dbraw/zinc/18/24/80/632182480.db2.gz PUHLKRMSZGJYKL-CJNGLKHVSA-N 0 3 268.360 2.155 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccsc2Cl)C1 ZINC000989524103 632197432 /nfs/dbraw/zinc/19/74/32/632197432.db2.gz VCSBIKOREASQGM-ZJUUUORDSA-N 0 3 282.796 2.227 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000989543662 632201107 /nfs/dbraw/zinc/20/11/07/632201107.db2.gz WVJKTKLFHKNTSH-UHFFFAOYSA-N 0 3 288.391 2.419 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3c(C)cccn3c2)C1 ZINC000989672319 632222673 /nfs/dbraw/zinc/22/26/73/632222673.db2.gz ISQJGCWZOUVSHU-GOEBONIOSA-N 0 3 295.386 2.074 20 30 CEEDHN CNC(=O)C(C#N)C(=O)CCCc1ccccc1Cl ZINC000810534161 632223569 /nfs/dbraw/zinc/22/35/69/632223569.db2.gz IESBMFJTNJKSEA-LLVKDONJSA-N 0 3 278.739 2.118 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C)c(C)c2)C1 ZINC000989753139 632238721 /nfs/dbraw/zinc/23/87/21/632238721.db2.gz RZHRUVCSXGFQQU-ZBFHGGJFSA-N 0 3 270.376 2.129 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000989755517 632239893 /nfs/dbraw/zinc/23/98/93/632239893.db2.gz NKSXVCFUFAJDPP-KBXCAEBGSA-N 0 3 296.414 2.391 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC000989842940 632252706 /nfs/dbraw/zinc/25/27/06/632252706.db2.gz YIBOCHBVYQIFST-LHVTWPBJSA-N 0 3 288.435 2.415 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)C3CCCC3)CCC[C@H]12 ZINC000989904113 632274008 /nfs/dbraw/zinc/27/40/08/632274008.db2.gz YHYMDAVHQJJIDX-DOTOQJQBSA-N 0 3 274.408 2.313 20 30 CEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cc(C)on3)CCC[C@H]12 ZINC000989921942 632280164 /nfs/dbraw/zinc/28/01/64/632280164.db2.gz LKQHQHZZLFELKY-HOCLYGCPSA-N 0 3 289.379 2.286 20 30 CEEDHN C=CC[N@@H+]1CC[C@@]2(NC(=O)c3ccccc3[O-])CCC[C@H]12 ZINC000989960436 632291010 /nfs/dbraw/zinc/29/10/10/632291010.db2.gz IMYGVADQHPEHJA-RDJZCZTQSA-N 0 3 286.375 2.305 20 30 CEEDHN C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccccc3[O-])CCC[C@H]12 ZINC000989960436 632291015 /nfs/dbraw/zinc/29/10/15/632291015.db2.gz IMYGVADQHPEHJA-RDJZCZTQSA-N 0 3 286.375 2.305 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001007068986 632313973 /nfs/dbraw/zinc/31/39/73/632313973.db2.gz GQDJHBVRFVVWOD-MRXNPFEDSA-N 0 3 274.408 2.481 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2ccc3cccnc3n2)C1 ZINC001014508679 632319703 /nfs/dbraw/zinc/31/97/03/632319703.db2.gz NMGVHERLJJEKBX-CQSZACIVSA-N 0 3 296.374 2.010 20 30 CEEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1cnn(C)n1)C(C)C ZINC000924642836 632383030 /nfs/dbraw/zinc/38/30/30/632383030.db2.gz JEACZBGIHBZSLU-ZBFHGGJFSA-N 0 3 291.443 2.164 20 30 CEEDHN C[C@@H](NCCO[C@@H]1CCOC1)c1ccc(C#N)c(F)c1 ZINC000927081219 632449166 /nfs/dbraw/zinc/44/91/66/632449166.db2.gz QHSNFZBJSSBQMZ-BXUZGUMPSA-N 0 3 278.327 2.153 20 30 CEEDHN C#CCCCCC(=O)N(CCCOC)C1CCN(C)CC1 ZINC000811945904 632469164 /nfs/dbraw/zinc/46/91/64/632469164.db2.gz KKKDOTMEVOSYOX-UHFFFAOYSA-N 0 3 294.439 2.139 20 30 CEEDHN Cc1cc(N[C@H](C)c2ccc(C#N)cc2)nc(N)n1 ZINC000042099872 632633387 /nfs/dbraw/zinc/63/33/87/632633387.db2.gz DLPDLGOZVXZAPS-SNVBAGLBSA-N 0 3 253.309 2.412 20 30 CEEDHN C=CCOCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813214539 632649390 /nfs/dbraw/zinc/64/93/90/632649390.db2.gz ZHKKQZWJIZYMAA-SNVBAGLBSA-N 0 3 284.237 2.479 20 30 CEEDHN C=CCC(F)(F)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000815018130 632950228 /nfs/dbraw/zinc/95/02/28/632950228.db2.gz HHNYKUCBHPWUSB-RYUDHWBXSA-N 0 3 274.355 2.434 20 30 CEEDHN COc1ccc(CN[C@H](C)c2cnccc2N)cc1C#N ZINC000817916344 633775081 /nfs/dbraw/zinc/77/50/81/633775081.db2.gz WXHLWIMYYWIWTF-LLVKDONJSA-N 0 3 282.347 2.225 20 30 CEEDHN Cc1ccc(N(C)C(=O)[C@@H](N)CCCC#N)cc1C ZINC000818084770 633857342 /nfs/dbraw/zinc/85/73/42/633857342.db2.gz IIUICQBVBNKVPH-AWEZNQCLSA-N 0 3 259.353 2.287 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1cc2ccccc2o1 ZINC000818602910 633955969 /nfs/dbraw/zinc/95/59/69/633955969.db2.gz JIZKRIJXOHJMHD-UHFFFAOYSA-N 0 3 284.359 2.047 20 30 CEEDHN Cc1cc(NN=Cc2cnn(CC3CCC3)c2)ccn1 ZINC000901268414 634028588 /nfs/dbraw/zinc/02/85/88/634028588.db2.gz ZVHGPMVDFMNQOJ-UHFFFAOYSA-N 0 3 269.352 2.255 20 30 CEEDHN N#CCC1(CNC[C@H](O)c2cc(F)ccc2F)CC1 ZINC000819281484 634127076 /nfs/dbraw/zinc/12/70/76/634127076.db2.gz VCHVOKWTSOWNAM-ZDUSSCGKSA-N 0 3 266.291 2.282 20 30 CEEDHN CCN1CCN(c2ccc(NCCC#N)cc2)CC1 ZINC000819396074 634169057 /nfs/dbraw/zinc/16/90/57/634169057.db2.gz XNRQIITXODGIHT-UHFFFAOYSA-N 0 3 258.369 2.154 20 30 CEEDHN C[C@@H](N[C@@H](CO)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902806345 634830757 /nfs/dbraw/zinc/83/07/57/634830757.db2.gz KIGSYQNKWVUCHQ-CZUORRHYSA-N 0 3 281.359 2.207 20 30 CEEDHN COc1cc(C#N)ccc1OC(=O)[C@H]1CCN(C)[C@@H](C)C1 ZINC000822241780 634875316 /nfs/dbraw/zinc/87/53/16/634875316.db2.gz KDUSBEPCILMCDO-AAEUAGOBSA-N 0 3 288.347 2.203 20 30 CEEDHN CC(C)[C@H](O)C1(CN[C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902896538 634885164 /nfs/dbraw/zinc/88/51/64/634885164.db2.gz LACNVYOBZOFMKP-DOMZBBRYSA-N 0 3 273.380 2.401 20 30 CEEDHN C#CCN(C(=O)Nc1ccc(C#N)cc1)C1CCN(C)CC1 ZINC000902985468 634919497 /nfs/dbraw/zinc/91/94/97/634919497.db2.gz JGRPYDWVKRWDGJ-UHFFFAOYSA-N 0 3 296.374 2.120 20 30 CEEDHN CC[C@@H](N[C@@H]1COC[C@@H]1OC)c1cccc(C#N)c1 ZINC000903016672 634926601 /nfs/dbraw/zinc/92/66/01/634926601.db2.gz GZPBOUBMKXHUBP-KFWWJZLASA-N 0 3 260.337 2.013 20 30 CEEDHN C[C@@H](NC[C@H]1CCCC[C@@H]1O)c1cc(C#N)ccn1 ZINC000903011339 634937390 /nfs/dbraw/zinc/93/73/90/634937390.db2.gz XJFQOELTRLQCQN-KYOSRNDESA-N 0 3 259.353 2.155 20 30 CEEDHN C[C@H](N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1cc(C#N)ccn1 ZINC000903069907 634965784 /nfs/dbraw/zinc/96/57/84/634965784.db2.gz LTGIOGOBMZHVJF-TVEHIPJCSA-N 0 3 259.353 2.416 20 30 CEEDHN CCOC(=O)NC1CCC(NCC(C)(C)C#N)CC1 ZINC000903101313 634969988 /nfs/dbraw/zinc/96/99/88/634969988.db2.gz DKYJBSNXCIUIBJ-UHFFFAOYSA-N 0 3 267.373 2.183 20 30 CEEDHN COC1([C@@H](C)NCC2(C#N)CCCC2)CCOCC1 ZINC000903109832 634973314 /nfs/dbraw/zinc/97/33/14/634973314.db2.gz WNAVGUZTVAVSQE-CYBMUJFWSA-N 0 3 266.385 2.244 20 30 CEEDHN COCC[C@H]1CCC[C@@H]1NCc1nc(C#N)cs1 ZINC000903262908 635034959 /nfs/dbraw/zinc/03/49/59/635034959.db2.gz JCKUYHLIWRFTIA-PWSUYJOCSA-N 0 3 265.382 2.310 20 30 CEEDHN CCCN(C(=O)c1cc(C#N)ccc1C)[C@H]1CCN(C)C1 ZINC000823498862 635198913 /nfs/dbraw/zinc/19/89/13/635198913.db2.gz CAFDMTXMMCUDOC-HNNXBMFYSA-N 0 3 285.391 2.423 20 30 CEEDHN COC(=O)C1(C#N)CCN(C[C@@H]2CC=CCC2)CC1 ZINC000824867356 635515869 /nfs/dbraw/zinc/51/58/69/635515869.db2.gz NJRAQROMEFMXHE-CYBMUJFWSA-N 0 3 262.353 2.121 20 30 CEEDHN C=CCCc1noc(-c2ccc3c(c2)CC[C@@H](N)C(=O)N3)n1 ZINC000904732845 635716188 /nfs/dbraw/zinc/71/61/88/635716188.db2.gz FPPZMOROZFXBTC-GFCCVEGCSA-N 0 3 298.346 2.067 20 30 CEEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H]2CCN2C)c([O-])c1 ZINC000905003905 635774658 /nfs/dbraw/zinc/77/46/58/635774658.db2.gz XYFGHVPUJNLWOU-QJISPJEISA-N 0 3 275.396 2.361 20 30 CEEDHN C#C[C@H]1CCCN(Cc2ccnn2-c2ccncc2)C1 ZINC000826535400 635777514 /nfs/dbraw/zinc/77/75/14/635777514.db2.gz VXKNEUDMIWHBKY-AWEZNQCLSA-N 0 3 266.348 2.113 20 30 CEEDHN C#CC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000826633638 635797806 /nfs/dbraw/zinc/79/78/06/635797806.db2.gz SZCFBMMRFSNJMZ-MRXNPFEDSA-N 0 3 289.423 2.058 20 30 CEEDHN C#CC[C@H](NC[C@@](C)(O)C(F)F)c1ccccc1 ZINC000905192288 635859133 /nfs/dbraw/zinc/85/91/33/635859133.db2.gz YOHQFTHPUIXQPN-GXTWGEPZSA-N 0 3 253.292 2.357 20 30 CEEDHN N#Cc1ccc(F)c(CNC[C@H](O)CC(F)(F)F)c1 ZINC000905518876 636316783 /nfs/dbraw/zinc/31/67/83/636316783.db2.gz PIECVWJWUFELSS-SNVBAGLBSA-N 0 3 276.233 2.100 20 30 CEEDHN C#Cc1cnc(N2CCN(CCC(C)(C)C)CC2)nc1 ZINC000827437861 636319955 /nfs/dbraw/zinc/31/99/55/636319955.db2.gz DIQFMWOABDEHPS-UHFFFAOYSA-N 0 3 272.396 2.016 20 30 CEEDHN CCCCCCC[C@@H](C)CNC(=O)C[C@H]1CNCCO1 ZINC000827498568 636336093 /nfs/dbraw/zinc/33/60/93/636336093.db2.gz PUFKBRLZEWGXLC-CABCVRRESA-N 0 3 284.444 2.478 20 30 CEEDHN C#C[C@H](NCc1ccccc1N(C)C)C1CCOCC1 ZINC000827569816 636357385 /nfs/dbraw/zinc/35/73/85/636357385.db2.gz GSVHGIWNLZVCLB-INIZCTEOSA-N 0 3 272.392 2.271 20 30 CEEDHN C=CCCCCN(CCS(C)(=O)=O)C(C)(C)C ZINC000828091851 636505177 /nfs/dbraw/zinc/50/51/77/636505177.db2.gz ZAPMOSMHBJOGIE-UHFFFAOYSA-N 0 3 261.431 2.488 20 30 CEEDHN Cc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc(C)c1C#N ZINC000906970926 636905433 /nfs/dbraw/zinc/90/54/33/636905433.db2.gz GSTWENCJLXHBQA-DYVFJYSZSA-N 0 3 297.402 2.388 20 30 CEEDHN C#CC[C@H]1CCCN(CC(=O)NCCCCC)C1 ZINC000829769694 636925917 /nfs/dbraw/zinc/92/59/17/636925917.db2.gz ZSMIEMJJNPSKDJ-AWEZNQCLSA-N 0 3 250.386 2.028 20 30 CEEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)NCCC(C)C)C1 ZINC000829775028 636927994 /nfs/dbraw/zinc/92/79/94/636927994.db2.gz XKIMWYLJBPYGCJ-LSDHHAIUSA-N 0 3 264.413 2.273 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)NCc2ccc(F)cc2)C1 ZINC000829788611 636929959 /nfs/dbraw/zinc/92/99/59/636929959.db2.gz BLHUKKUBWTUKLJ-OAHLLOKOSA-N 0 3 288.366 2.177 20 30 CEEDHN C#CCN1CCC(C(=O)NCC2CCC(=C)CC2)CC1 ZINC000831002293 637215247 /nfs/dbraw/zinc/21/52/47/637215247.db2.gz WMSNFPXAWIGWFB-UHFFFAOYSA-N 0 3 274.408 2.194 20 30 CEEDHN CN1CCN(C(=O)CC(C)(C)C#N)CC12CCCCC2 ZINC000908570382 637413636 /nfs/dbraw/zinc/41/36/36/637413636.db2.gz ABDSLYUDSPYLQO-UHFFFAOYSA-N 0 3 277.412 2.403 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCOc1ccc(C)cc1 ZINC000876569365 650334497 /nfs/dbraw/zinc/33/44/97/650334497.db2.gz RUCIQNHABBJNIN-AWEZNQCLSA-N 0 3 296.798 2.302 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccnn1CCC(C)C ZINC000876569746 650335768 /nfs/dbraw/zinc/33/57/68/650335768.db2.gz KKJPICOTVLKYRT-LLVKDONJSA-N 0 3 284.791 2.338 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000876588087 650347571 /nfs/dbraw/zinc/34/75/71/650347571.db2.gz SZPGBWNIJSXTQS-LLVKDONJSA-N 0 3 286.709 2.324 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(OCCOC)c1 ZINC000876594844 650350554 /nfs/dbraw/zinc/35/05/54/650350554.db2.gz WNHPUFVLEAHWGT-ZDUSSCGKSA-N 0 3 298.770 2.120 20 30 CEEDHN C=CC(C)(C)CCCNC(=O)CCN1CCN(CC)CC1 ZINC000832721886 637652967 /nfs/dbraw/zinc/65/29/67/637652967.db2.gz QZDVYYNAFMAQQY-UHFFFAOYSA-N 0 3 295.471 2.123 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(CC(C)C)nn1C ZINC000876630352 650367544 /nfs/dbraw/zinc/36/75/44/650367544.db2.gz XPZYMQPBFKARTK-LLVKDONJSA-N 0 3 284.791 2.027 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccc(CC)cc1 ZINC000876632833 650368335 /nfs/dbraw/zinc/36/83/35/650368335.db2.gz YBWWTNXIWNIQQB-AWEZNQCLSA-N 0 3 280.799 2.378 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000876639249 650370949 /nfs/dbraw/zinc/37/09/49/650370949.db2.gz SILOZAHYURFFPC-GFCCVEGCSA-N 0 3 280.755 2.420 20 30 CEEDHN CCN1CCCN(C(=O)c2cc(C#N)oc2C)[C@H](C)C1 ZINC000910272237 637967666 /nfs/dbraw/zinc/96/76/66/637967666.db2.gz DKLKXPHFLIQHTC-LLVKDONJSA-N 0 3 275.352 2.016 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000876663554 650385495 /nfs/dbraw/zinc/38/54/95/650385495.db2.gz XYFVIQNDECCAGH-PKZYVASSSA-N 0 3 258.793 2.397 20 30 CEEDHN CC1(C)OCC[C@@H]1NN=C1CCc2cc(N)ccc21 ZINC000835021345 638026715 /nfs/dbraw/zinc/02/67/15/638026715.db2.gz NOQBXLCKYSIPEB-AWEZNQCLSA-N 0 3 259.353 2.076 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1cccc(F)c1F ZINC000876663494 650385823 /nfs/dbraw/zinc/38/58/23/650385823.db2.gz WMAGTWNHQHZKFH-NSHDSACASA-N 0 3 288.725 2.093 20 30 CEEDHN CC(C)(C)C(=O)CCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000835058468 638043789 /nfs/dbraw/zinc/04/37/89/638043789.db2.gz OQFMEQTVRSDOIN-LBPRGKRZSA-N 0 3 292.379 2.103 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000876673284 650393550 /nfs/dbraw/zinc/39/35/50/650393550.db2.gz VYAGKRLJDRSWIP-DOMZBBRYSA-N 0 3 292.810 2.378 20 30 CEEDHN CC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000835340361 638200808 /nfs/dbraw/zinc/20/08/08/638200808.db2.gz MYPRDMHQJWUQLS-KFWWJZLASA-N 0 3 284.359 2.400 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC[C@H](OCC)C(C)C ZINC000876699759 650404782 /nfs/dbraw/zinc/40/47/82/650404782.db2.gz HWPOTBREOSHVAS-NEPJUHHUSA-N 0 3 276.808 2.024 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCCO[C@H]1C(C)C ZINC000876701901 650405634 /nfs/dbraw/zinc/40/56/34/650405634.db2.gz ZTANAOUWHQJQPA-AGIUHOORSA-N 0 3 288.819 2.024 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)N(C)c1ccccc1 ZINC000876723342 650410171 /nfs/dbraw/zinc/41/01/71/650410171.db2.gz UAUPKJLWMQILEK-JSGCOSHPSA-N 0 3 295.814 2.097 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cc(C)no1 ZINC000911643728 638334852 /nfs/dbraw/zinc/33/48/52/638334852.db2.gz XDPVHIBKHYXMPJ-QWHCGFSZSA-N 0 3 277.368 2.330 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCN(C)c1ccccc1 ZINC000876758626 650422711 /nfs/dbraw/zinc/42/27/11/650422711.db2.gz GIPWOMCJSXIKLB-AWEZNQCLSA-N 0 3 295.814 2.051 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@H]3CCCC34CC4)CCC[C@H]12 ZINC000991355540 638435264 /nfs/dbraw/zinc/43/52/64/638435264.db2.gz BRYUXBVTBUJEFE-RVKKMQEKSA-N 0 3 286.419 2.313 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000836320385 638599526 /nfs/dbraw/zinc/59/95/26/638599526.db2.gz ZHHOGDLOAXDDJM-FICVDOATSA-N 0 3 279.428 2.065 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(Cl)nc1 ZINC000912203720 638605737 /nfs/dbraw/zinc/60/57/37/638605737.db2.gz BSQWXZWJXQKUPS-LLVKDONJSA-N 0 3 267.760 2.035 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1cccc(F)c1 ZINC000912237310 638611154 /nfs/dbraw/zinc/61/11/54/638611154.db2.gz YETSWBRAVLBZGK-ZDUSSCGKSA-N 0 3 250.317 2.126 20 30 CEEDHN Cc1cc(C(=O)N[C@@]2(C)CN3CCC2CC3)cc(C)c1C#N ZINC000912374153 638672571 /nfs/dbraw/zinc/67/25/71/638672571.db2.gz KXXJYFHUYCEYSS-SFHVURJKSA-N 0 3 297.402 2.389 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cc(C)on1 ZINC000912467318 638694476 /nfs/dbraw/zinc/69/44/76/638694476.db2.gz LZRRQCZYZISHID-TZMCWYRMSA-N 0 3 277.368 2.330 20 30 CEEDHN C=C(CN(C)C)C(=O)N(OC)[C@@H](C)c1csc(C)n1 ZINC000836804169 638711495 /nfs/dbraw/zinc/71/14/95/638711495.db2.gz WZHWPGLIEIAPBD-JTQLQIEISA-N 0 3 283.397 2.020 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc2c(c1)CCCN2 ZINC000876861377 650463115 /nfs/dbraw/zinc/46/31/15/650463115.db2.gz XGMYLLRGJNTFRU-CYBMUJFWSA-N 0 3 293.798 2.131 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(O)c1C ZINC000876874287 650467984 /nfs/dbraw/zinc/46/79/84/650467984.db2.gz CYRMAVTUDQBDOE-SNVBAGLBSA-N 0 3 268.744 2.417 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)c1cccnc1 ZINC000876876813 650468821 /nfs/dbraw/zinc/46/88/21/650468821.db2.gz VHFAYXAQISMKQZ-JQWIXIFHSA-N 0 3 267.760 2.071 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cc(C)cc(OC)c1 ZINC000876883257 650472245 /nfs/dbraw/zinc/47/22/45/650472245.db2.gz CRKSDVCZFFGKPW-ZDUSSCGKSA-N 0 3 282.771 2.090 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)Cc3ccccc3)CCC[C@@H]12 ZINC000991420060 639153264 /nfs/dbraw/zinc/15/32/64/639153264.db2.gz ZMHCSTUQYITVTO-MJGOQNOKSA-N 0 3 296.414 2.366 20 30 CEEDHN CN(C)[C@@H](CNC(=O)C#CC(C)(C)C)c1ccccc1 ZINC000837309406 639180499 /nfs/dbraw/zinc/18/04/99/639180499.db2.gz MIGSLJIFVVHJJU-HNNXBMFYSA-N 0 3 272.392 2.455 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1c(C)[nH]nc1C(F)F ZINC000876902458 650479696 /nfs/dbraw/zinc/47/96/96/650479696.db2.gz CRBBLSPNOGQNPF-LURJTMIESA-N 0 3 278.690 2.064 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(C2CC2)CCC1 ZINC000876903886 650479845 /nfs/dbraw/zinc/47/98/45/650479845.db2.gz ZTLLSCYJSFWKRP-LLVKDONJSA-N 0 3 256.777 2.153 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000876907334 650481629 /nfs/dbraw/zinc/48/16/29/650481629.db2.gz AXMKXGJPAIVVRY-ZDUSSCGKSA-N 0 3 296.798 2.138 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C#CC1CC1 ZINC000837531265 639269212 /nfs/dbraw/zinc/26/92/12/639269212.db2.gz FKBREKDMTKWNQV-YOEHRIQHSA-N 0 3 282.387 2.037 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccccc1 ZINC000876543721 639289509 /nfs/dbraw/zinc/28/95/09/639289509.db2.gz HEEDSYWZRUYQPE-ZYHUDNBSSA-N 0 3 252.745 2.334 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000876550134 639296185 /nfs/dbraw/zinc/29/61/85/639296185.db2.gz PXGVDPZBYOOTHT-PDEGPIFNSA-N 0 3 258.793 2.397 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CC12CCSCC2 ZINC000876926659 650488507 /nfs/dbraw/zinc/48/85/07/650488507.db2.gz BYHOUZIHTDGMNB-GHMZBOCLSA-N 0 3 288.844 2.106 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC2(CCC2)C[C@H]1C ZINC000876939014 650496363 /nfs/dbraw/zinc/49/63/63/650496363.db2.gz SHGRFRXIMXJDNJ-GHMZBOCLSA-N 0 3 256.777 2.247 20 30 CEEDHN C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)C[C@H](C)S1 ZINC000226669678 639562423 /nfs/dbraw/zinc/56/24/23/639562423.db2.gz CUNLTQUEZQYYPV-TYNCELHUSA-N 0 3 276.405 2.417 20 30 CEEDHN C[C@@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877118615 639570070 /nfs/dbraw/zinc/57/00/70/639570070.db2.gz HZVVBZFRMQXVQO-SKDRFNHKSA-N 0 3 265.744 2.264 20 30 CEEDHN CC(C)(C)C#CC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000876969579 650511819 /nfs/dbraw/zinc/51/18/19/650511819.db2.gz UEEBXTISSIIYBU-OAHLLOKOSA-N 0 3 286.375 2.336 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCc2ccc(OC)cc21 ZINC000876973343 650513651 /nfs/dbraw/zinc/51/36/51/650513651.db2.gz DZENXSMVHTVLEL-ZDUSSCGKSA-N 0 3 294.782 2.444 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](OC)C1CCCCC1 ZINC000876975285 650514888 /nfs/dbraw/zinc/51/48/88/650514888.db2.gz FISATCVKIFIPSO-OLZOCXBDSA-N 0 3 288.819 2.168 20 30 CEEDHN COCC[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000876995365 650523912 /nfs/dbraw/zinc/52/39/12/650523912.db2.gz SKPDKJQKMUUIEE-VIFPVBQESA-N 0 3 253.733 2.121 20 30 CEEDHN CC(C)(C)OC(=O)N1CC[C@H](CN2CCC(C#N)CC2)C1 ZINC000172766885 639799635 /nfs/dbraw/zinc/79/96/35/639799635.db2.gz HHVCOQSMSSFTSO-CQSZACIVSA-N 0 3 293.411 2.479 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)c3ccn(CC)c3C)CCC[C@@H]12 ZINC000992123057 639966278 /nfs/dbraw/zinc/96/62/78/639966278.db2.gz CGQASIKAFLJFJC-SJLPKXTDSA-N 0 3 299.418 2.176 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)c3ccn(CC)c3C)CCC[C@H]12 ZINC000992123054 639966411 /nfs/dbraw/zinc/96/64/11/639966411.db2.gz CGQASIKAFLJFJC-FUHWJXTLSA-N 0 3 299.418 2.176 20 30 CEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3conc3C)CCC[C@@H]12 ZINC000992165203 639979094 /nfs/dbraw/zinc/97/90/94/639979094.db2.gz ZTGQKICUVNMEQW-GDBMZVCRSA-N 0 3 289.379 2.286 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)C3CC4(CC4)C3)CCC[C@H]12 ZINC000992179698 639981922 /nfs/dbraw/zinc/98/19/22/639981922.db2.gz QHXHARNDQOZMLA-YOEHRIQHSA-N 0 3 274.408 2.476 20 30 CEEDHN CCC(=NN(CC)CCO)c1ccc(N(C)C)cc1 ZINC000842538825 639986764 /nfs/dbraw/zinc/98/67/64/639986764.db2.gz MZQSOPFFKMXFBF-UHFFFAOYSA-N 0 3 263.385 2.181 20 30 CEEDHN C#CCNC(=O)CN(CC)[C@H](CC)Cc1ccccc1 ZINC000759417718 640038380 /nfs/dbraw/zinc/03/83/80/640038380.db2.gz HJXZJHXUNPYOHR-MRXNPFEDSA-N 0 3 272.392 2.079 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CCC(=O)C3)nc21 ZINC000842723541 640159794 /nfs/dbraw/zinc/15/97/94/640159794.db2.gz ZGHFMDVQYSOPNB-JQWIXIFHSA-N 0 3 281.315 2.417 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1ccc(F)cc1F ZINC000152371571 640215636 /nfs/dbraw/zinc/21/56/36/640215636.db2.gz XFALWLAEFMMDKN-LBPRGKRZSA-N 0 3 294.301 2.131 20 30 CEEDHN CCCC(=O)NCC(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842942032 640225577 /nfs/dbraw/zinc/22/55/77/640225577.db2.gz LYSFBJWETQESKN-JTQLQIEISA-N 0 3 291.376 2.113 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccccn2)[C@H]1C ZINC000992948553 640379182 /nfs/dbraw/zinc/37/91/82/640379182.db2.gz ITANBVKGUDKGDT-ZIAGYGMSSA-N 0 3 273.380 2.240 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CC[C@H]3SCCS[C@H]23)n1 ZINC000877129030 650586410 /nfs/dbraw/zinc/58/64/10/650586410.db2.gz HGPAZLMGAKNWMD-MGPQQGTHSA-N 0 3 291.445 2.422 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001015565100 640465341 /nfs/dbraw/zinc/46/53/41/640465341.db2.gz YOLZMQGETYPVDQ-AWEZNQCLSA-N 0 3 262.397 2.333 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001015565101 640465482 /nfs/dbraw/zinc/46/54/82/640465482.db2.gz YOLZMQGETYPVDQ-CQSZACIVSA-N 0 3 262.397 2.333 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cc(C)on2)[C@@H]1C ZINC000993148210 640483986 /nfs/dbraw/zinc/48/39/86/640483986.db2.gz BEZJJLGVRNJXAO-ZFWWWQNUSA-N 0 3 291.395 2.071 20 30 CEEDHN CN1CCc2cc(C=NOC[C@H]3CCOC3)ccc21 ZINC000788032760 640487890 /nfs/dbraw/zinc/48/78/90/640487890.db2.gz DADUVDDRSAAVJY-ZDUSSCGKSA-N 0 3 260.337 2.066 20 30 CEEDHN N=C(N)NN=C1CCSc2ccc(Cl)cc21 ZINC000915050684 640504126 /nfs/dbraw/zinc/50/41/26/640504126.db2.gz FHMVTRFIEDILNA-UHFFFAOYSA-N 0 3 254.746 2.023 20 30 CEEDHN CC(=NNC(=N)N)c1ccc2c3c(cccc31)CC2 ZINC000915050649 640504774 /nfs/dbraw/zinc/50/47/74/640504774.db2.gz DIMSRTOHJLOWHC-UHFFFAOYSA-N 0 3 252.321 2.145 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2ocnc2C)[C@@H]1C ZINC000993189263 640527390 /nfs/dbraw/zinc/52/73/90/640527390.db2.gz WYWLZPVUQWYRLP-STQMWFEESA-N 0 3 277.368 2.142 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc[nH]c2C)[C@@H]1C ZINC000993219947 640561473 /nfs/dbraw/zinc/56/14/73/640561473.db2.gz UGARTXWBCQPHMR-ZFWWWQNUSA-N 0 3 275.396 2.482 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2ccc(C)o2)[C@@H]1C ZINC000993234781 640565631 /nfs/dbraw/zinc/56/56/31/640565631.db2.gz NGUJPUNWKBWBQC-HOCLYGCPSA-N 0 3 288.391 2.123 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccoc2CC)[C@@H]1C ZINC000993271209 640570936 /nfs/dbraw/zinc/57/09/36/640570936.db2.gz WKZFIQJRYWCZEQ-DZGCQCFKSA-N 0 3 288.391 2.448 20 30 CEEDHN COc1cccc([C@H](C)C(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000193613961 640572886 /nfs/dbraw/zinc/57/28/86/640572886.db2.gz KGWINVBQRFPPEO-FZMZJTMJSA-N 0 3 288.347 2.032 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001015644410 640590068 /nfs/dbraw/zinc/59/00/68/640590068.db2.gz QKVMSEUIPLPMJT-INIZCTEOSA-N 0 3 272.392 2.304 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C2CC(C)(C)C2)[C@@H]1C ZINC000993327897 640608431 /nfs/dbraw/zinc/60/84/31/640608431.db2.gz LVLFIAGYRMQEPB-DZGCQCFKSA-N 0 3 276.424 2.415 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C)cc(C)n2)[C@@H]1C ZINC000993496371 640650454 /nfs/dbraw/zinc/65/04/54/640650454.db2.gz ACPQTWXZPNNDNF-HOTGVXAUSA-N 0 3 299.418 2.304 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C2(C3CC3)CC2)[C@H]1C ZINC000993487661 640651688 /nfs/dbraw/zinc/65/16/88/640651688.db2.gz MGTYESQCHHIRJL-HIFRSBDPSA-N 0 3 274.408 2.169 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H]1C ZINC000993717880 640669908 /nfs/dbraw/zinc/66/99/08/640669908.db2.gz JEFTWIPIFDXPGU-DZGCQCFKSA-N 0 3 276.424 2.415 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ocnc2CC)[C@H]1C ZINC000993776923 640678254 /nfs/dbraw/zinc/67/82/54/640678254.db2.gz YBJWEBGEJUCJHC-TZMCWYRMSA-N 0 3 291.395 2.396 20 30 CEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2occc2C)[C@@H]1C ZINC000993788095 640679192 /nfs/dbraw/zinc/67/91/92/640679192.db2.gz JJMPBNSKTRZISE-UONOGXRCSA-N 0 3 276.380 2.286 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001015692301 640688213 /nfs/dbraw/zinc/68/82/13/640688213.db2.gz FYECKWDEPIAGMK-OLZOCXBDSA-N 0 3 276.405 2.065 20 30 CEEDHN CCCCNN=Cc1ccc(N2CCOCC2)cc1 ZINC000915966345 640710391 /nfs/dbraw/zinc/71/03/91/640710391.db2.gz QZOYKWKSBJCODD-UHFFFAOYSA-N 0 3 261.369 2.247 20 30 CEEDHN CCCNN=C(C)c1ccc(N2CCOCC2)cc1 ZINC000915965650 640714659 /nfs/dbraw/zinc/71/46/59/640714659.db2.gz MXKJUWUTKRJUTD-UHFFFAOYSA-N 0 3 261.369 2.247 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN(CC(=C)C)[C@H]2C)cn1 ZINC000994244209 640727365 /nfs/dbraw/zinc/72/73/65/640727365.db2.gz CEDFDWLBFBJKPK-YOEHRIQHSA-N 0 3 297.402 2.222 20 30 CEEDHN C#CCCCCCCN1CCCC2(C1)OCCO2 ZINC000877170274 650608236 /nfs/dbraw/zinc/60/82/36/650608236.db2.gz LPTMUQDPGVPTET-UHFFFAOYSA-N 0 3 251.370 2.409 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)Cc1c(F)cccc1Cl ZINC000916917234 640828703 /nfs/dbraw/zinc/82/87/03/640828703.db2.gz BLOXQVIXCXRFJM-SNVBAGLBSA-N 0 3 294.713 2.033 20 30 CEEDHN CCCCSCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000917044895 640840620 /nfs/dbraw/zinc/84/06/20/640840620.db2.gz OSTWLIMVAXASCN-LBPRGKRZSA-N 0 3 282.409 2.287 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)O[C@@H](C)CN1CCCC1 ZINC000845663825 641041617 /nfs/dbraw/zinc/04/16/17/641041617.db2.gz MRIZDQZXKZAZKJ-JTQLQIEISA-N 0 3 262.309 2.101 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC)c(COC)c1 ZINC000877220567 650630319 /nfs/dbraw/zinc/63/03/19/650630319.db2.gz HRPFFNMMVDBGGP-LBPRGKRZSA-N 0 3 298.770 2.250 20 30 CEEDHN C#CCSCCNCc1cc(F)c(OC)cc1OC ZINC000845942984 641134130 /nfs/dbraw/zinc/13/41/30/641134130.db2.gz ZQUVLLGIYQHIMS-UHFFFAOYSA-N 0 3 283.368 2.299 20 30 CEEDHN Cc1cnccc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846005939 641150091 /nfs/dbraw/zinc/15/00/91/641150091.db2.gz DPIKALBAESDFNC-QGZVFWFLSA-N 0 3 281.359 2.427 20 30 CEEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)c(C)o1 ZINC000126421555 650636327 /nfs/dbraw/zinc/63/63/27/650636327.db2.gz REYOIJYYSGODIC-GFCCVEGCSA-N 0 3 283.287 2.253 20 30 CEEDHN C#CCOc1ccccc1CNC[C@H](O)c1ccco1 ZINC000238054814 641428122 /nfs/dbraw/zinc/42/81/22/641428122.db2.gz WYMXBMDZPUDFFB-AWEZNQCLSA-N 0 3 271.316 2.115 20 30 CEEDHN C#C[C@@H]1CCCN([C@H](C)C(=O)N(CC)CC(=C)C)C1 ZINC000847021817 641526482 /nfs/dbraw/zinc/52/64/82/641526482.db2.gz BNGGYGURQVFIIN-HUUCEWRRSA-N 0 3 262.397 2.145 20 30 CEEDHN C#C[C@@H]1CCCN(C(=O)NCCN(C)Cc2ccccc2)C1 ZINC000847296208 641626243 /nfs/dbraw/zinc/62/62/43/641626243.db2.gz YAJWCUMDEWZUOW-MRXNPFEDSA-N 0 3 299.418 2.173 20 30 CEEDHN C#C[C@H]1CCCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000847363857 641645496 /nfs/dbraw/zinc/64/54/96/641645496.db2.gz YWIMCMQQGWFAAM-LSDHHAIUSA-N 0 3 291.439 2.162 20 30 CEEDHN C#C[C@@H]1CCCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000847363856 641646253 /nfs/dbraw/zinc/64/62/53/641646253.db2.gz YWIMCMQQGWFAAM-HUUCEWRRSA-N 0 3 291.439 2.162 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)OC[C@@H](C)N1CCCCC1 ZINC000847962936 641853499 /nfs/dbraw/zinc/85/34/99/641853499.db2.gz LECFRWFTXHKJPA-LLVKDONJSA-N 0 3 276.336 2.491 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1C[C@H](NCCF)C(C)(C)C1 ZINC000996139285 642091215 /nfs/dbraw/zinc/09/12/15/642091215.db2.gz XAQYFGITFJJEQG-LBPRGKRZSA-N 0 3 270.392 2.385 20 30 CEEDHN CC[C@H](C#N)OC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000848778339 642140346 /nfs/dbraw/zinc/14/03/46/642140346.db2.gz XLEYPVVXEPJTLT-LSDHHAIUSA-N 0 3 272.348 2.354 20 30 CEEDHN C#CCOc1ccccc1CN(C[C@H](C)O)C1CC1 ZINC000848928891 642199240 /nfs/dbraw/zinc/19/92/40/642199240.db2.gz QCXYKYWIDKAGAG-ZDUSSCGKSA-N 0 3 259.349 2.044 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cccc(CC)n2)CC1 ZINC000997143290 642213023 /nfs/dbraw/zinc/21/30/23/642213023.db2.gz GAOYCDCILGPAFH-CQSZACIVSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H]2CC=CCC2)CC1 ZINC000997479473 642278225 /nfs/dbraw/zinc/27/82/25/642278225.db2.gz KBBVHKSIJKWECN-HOCLYGCPSA-N 0 3 274.408 2.193 20 30 CEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2[nH]ccc2C)CC1 ZINC000997997626 642354467 /nfs/dbraw/zinc/35/44/67/642354467.db2.gz GRZGRBUWTQHZHS-HNNXBMFYSA-N 0 3 287.407 2.273 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC001016073710 642354870 /nfs/dbraw/zinc/35/48/70/642354870.db2.gz DAZRCTYUOGJOGU-OAHLLOKOSA-N 0 3 297.402 2.477 20 30 CEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccsn2)CC1 ZINC000998047639 642359896 /nfs/dbraw/zinc/35/98/96/642359896.db2.gz RFWRXBRXLXDDNL-ZDUSSCGKSA-N 0 3 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C#CC[C@H](CCOC)NCc1ccc(F)cc1F ZINC000858331480 645121378 /nfs/dbraw/zinc/12/13/78/645121378.db2.gz CYZITBZVDUIUDY-CYBMUJFWSA-N 0 3 253.292 2.483 20 30 CEEDHN C#CC[C@@H](COC)NCc1ccc(N(C)C)c(F)c1 ZINC000858335409 645123184 /nfs/dbraw/zinc/12/31/84/645123184.db2.gz TWROQQCVNXEEMU-ZDUSSCGKSA-N 0 3 264.344 2.020 20 30 CEEDHN C#CC[C@H](COC)NCc1cc(OC)c(OC)cc1C ZINC000858335194 645123535 /nfs/dbraw/zinc/12/35/35/645123535.db2.gz NLRXIMWVJPJRPC-CQSZACIVSA-N 0 3 277.364 2.140 20 30 CEEDHN C#CC[C@@H](COC)NCc1ccc(Oc2cnccn2)cc1 ZINC000858335252 645123570 /nfs/dbraw/zinc/12/35/70/645123570.db2.gz QUPGGFCHCJNYRX-HNNXBMFYSA-N 0 3 297.358 2.397 20 30 CEEDHN N#CC(C(=O)c1ccnc(Cl)c1)c1ccncn1 ZINC000760351124 645145215 /nfs/dbraw/zinc/14/52/15/645145215.db2.gz CNJLPGIVQJRBHG-SECBINFHSA-N 0 3 258.668 2.015 20 30 CEEDHN C=CC[C@H](CO)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761216862 645258218 /nfs/dbraw/zinc/25/82/18/645258218.db2.gz ZFPJCRCKMSVKTI-JTQLQIEISA-N 0 3 285.771 2.328 20 30 CEEDHN C#CCCOC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000858970814 645307492 /nfs/dbraw/zinc/30/74/92/645307492.db2.gz RRGDJRYABZFFIQ-CQSZACIVSA-N 0 3 274.364 2.256 20 30 CEEDHN Cc1ccc(CN2CC[C@@H](CN3CCOC3=O)C2)cc1C#N ZINC000859319777 645457246 /nfs/dbraw/zinc/45/72/46/645457246.db2.gz SYESWYOFURGHEU-OAHLLOKOSA-N 0 3 299.374 2.141 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@]23CCOC3)c1 ZINC000764762104 645686872 /nfs/dbraw/zinc/68/68/72/645686872.db2.gz RAYCBYHQEZMTAB-CKEIUWERSA-N 0 3 298.342 2.069 20 30 CEEDHN C=CCNC(=S)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000764932289 645711929 /nfs/dbraw/zinc/71/19/29/645711929.db2.gz RBSWGJRNRMDYIO-HIFRSBDPSA-N 0 3 289.448 2.157 20 30 CEEDHN C#CCN(Cc1ccc(F)cc1)C1CCN(C(C)=O)CC1 ZINC000769145618 646216100 /nfs/dbraw/zinc/21/61/00/646216100.db2.gz KBHULLDUNRMDKV-UHFFFAOYSA-N 0 3 288.366 2.272 20 30 CEEDHN Cc1c(C#N)cccc1NC(=S)NC1CCN(C)CC1 ZINC000769795178 646316428 /nfs/dbraw/zinc/31/64/28/646316428.db2.gz MFQGZEVZJKSVOX-UHFFFAOYSA-N 0 3 288.420 2.247 20 30 CEEDHN N#Cc1ccc(C(=O)NC[C@H]2CCN2C2CCCCC2)o1 ZINC000862630531 646532095 /nfs/dbraw/zinc/53/20/95/646532095.db2.gz ZCTIVWPQEUFNLL-CYBMUJFWSA-N 0 3 287.363 2.288 20 30 CEEDHN CCCCCCCCCCN1CC[C@H](S(N)(=O)=O)C1 ZINC000772224050 646607639 /nfs/dbraw/zinc/60/76/39/646607639.db2.gz YQEVALIFEVYORM-AWEZNQCLSA-N 0 3 290.473 2.490 20 30 CEEDHN CN(CCc1cccc(C#N)c1)C(=O)[C@H]1CCCCN1C ZINC000863435466 646723670 /nfs/dbraw/zinc/72/36/70/646723670.db2.gz QHTAQWMLBBKCFN-MRXNPFEDSA-N 0 3 285.391 2.043 20 30 CEEDHN C[C@H](CC(C)(C)C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000773971745 646791366 /nfs/dbraw/zinc/79/13/66/646791366.db2.gz XPGUGCFYJPBEHF-VXGBXAGGSA-N 0 3 264.369 2.390 20 30 CEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)CN(C)C1CCC1 ZINC000863861646 646837740 /nfs/dbraw/zinc/83/77/40/646837740.db2.gz HNJDLHMTXHCDFK-UHFFFAOYSA-N 0 3 288.366 2.272 20 30 CEEDHN CCC(CC)CNN=C1CCN(CCCC(=O)OC)CC1 ZINC000774479542 646851699 /nfs/dbraw/zinc/85/16/99/646851699.db2.gz YXDIZKCTNXOZKQ-UHFFFAOYSA-N 0 3 297.443 2.417 20 30 CEEDHN Cc1cc(CN2CCC(C3OCCO3)CC2)ccc1C#N ZINC000774876560 646906010 /nfs/dbraw/zinc/90/60/10/646906010.db2.gz PJZQBYUAUFAXIA-UHFFFAOYSA-N 0 3 286.375 2.452 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1ccc(C)o1 ZINC000775230905 646931500 /nfs/dbraw/zinc/93/15/00/646931500.db2.gz APPXJVGKQLNLHU-CYBMUJFWSA-N 0 3 276.336 2.146 20 30 CEEDHN C#CC[C@@H](NCC1(CS(C)(=O)=O)CC1)c1ccccc1 ZINC000775402758 646950405 /nfs/dbraw/zinc/95/04/05/646950405.db2.gz CMIGDKLZZZDWSN-OAHLLOKOSA-N 0 3 291.416 2.165 20 30 CEEDHN C=CCC[C@@H](NCC(=O)NCCC#N)c1ccccc1 ZINC000775462953 646957072 /nfs/dbraw/zinc/95/70/72/646957072.db2.gz GRIHSJDSZJISBY-OAHLLOKOSA-N 0 3 271.364 2.313 20 30 CEEDHN CC[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccccc1[O-] ZINC000775502838 646960532 /nfs/dbraw/zinc/96/05/32/646960532.db2.gz WKDGXFNTHWTWPR-HNNXBMFYSA-N 0 3 273.380 2.421 20 30 CEEDHN C#C[C@H](NCCC(=O)Nc1ccccc1C)[C@@H]1CCCO1 ZINC000775789223 646992661 /nfs/dbraw/zinc/99/26/61/646992661.db2.gz LGULULRWCCBVRT-HOCLYGCPSA-N 0 3 286.375 2.094 20 30 CEEDHN C#CC[C@H](CCOC)NCc1cc2c(cc[nH]c2=O)o1 ZINC000865646059 647403599 /nfs/dbraw/zinc/40/35/99/647403599.db2.gz FEDPARBFCXIXBC-LLVKDONJSA-N 0 3 274.320 2.051 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)c2coc(C#N)c2)C1 ZINC000867841659 647975632 /nfs/dbraw/zinc/97/56/32/647975632.db2.gz KYXFJYJGTMKQGI-UHFFFAOYSA-N 0 3 275.352 2.003 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1cncc(C(F)F)c1 ZINC000868051123 648035429 /nfs/dbraw/zinc/03/54/29/648035429.db2.gz HYCSEAFPUNIYME-NSHDSACASA-N 0 3 282.294 2.369 20 30 CEEDHN Cc1sccc1CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000786933362 648058437 /nfs/dbraw/zinc/05/84/37/648058437.db2.gz CGMGKJNVISHYET-GFCCVEGCSA-N 0 3 299.355 2.342 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)c1coc(C#N)c1 ZINC000868285790 648089479 /nfs/dbraw/zinc/08/94/79/648089479.db2.gz KRTMWVVEODKTLK-UHFFFAOYSA-N 0 3 289.379 2.489 20 30 CEEDHN C#CCCCN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000788779088 648222591 /nfs/dbraw/zinc/22/25/91/648222591.db2.gz UOOAIZWGQFYDFV-AWEZNQCLSA-N 0 3 258.300 2.036 20 30 CEEDHN C#C[C@@H](C)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000805886987 648290308 /nfs/dbraw/zinc/29/03/08/648290308.db2.gz OMFQMHBSWXQZNH-CYBMUJFWSA-N 0 3 257.333 2.461 20 30 CEEDHN CCc1cncc(C(=O)C(C#N)C(=O)Nc2ccccn2)c1 ZINC000789406218 648297967 /nfs/dbraw/zinc/29/79/67/648297967.db2.gz WIBVBUDVRGFCRR-CYBMUJFWSA-N 0 3 294.314 2.000 20 30 CEEDHN N#CC(C(=O)C[C@H]1COC(=O)C1)c1nccc2ccccc21 ZINC000792105491 648608799 /nfs/dbraw/zinc/60/87/99/648608799.db2.gz MJNPDRWAUNODEN-RISCZKNCSA-N 0 3 294.310 2.364 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000792390663 648643555 /nfs/dbraw/zinc/64/35/55/648643555.db2.gz TWYXLQNBSNFWQI-AWEZNQCLSA-N 0 3 280.343 2.001 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC3OCCCO3)nc21 ZINC000793153383 648712692 /nfs/dbraw/zinc/71/26/92/648712692.db2.gz DJDJAQJBHGAEOK-LLVKDONJSA-N 0 3 299.330 2.201 20 30 CEEDHN Cc1cccc2nc(C(C#N)C(=O)CC3OCCCO3)[nH]c21 ZINC000793153383 648712694 /nfs/dbraw/zinc/71/26/94/648712694.db2.gz DJDJAQJBHGAEOK-LLVKDONJSA-N 0 3 299.330 2.201 20 30 CEEDHN C[C@@H]1C(N=Nc2ccnc3ccccc23)CCN1C ZINC000872350424 649362702 /nfs/dbraw/zinc/36/27/02/649362702.db2.gz RXCZLFZPNCTKTB-LLVKDONJSA-N 0 3 254.337 2.149 20 30 CEEDHN COc1ccc(Cn2cc(CNCCCCC#N)nn2)cc1 ZINC000873043043 649540673 /nfs/dbraw/zinc/54/06/73/649540673.db2.gz TVNJPWVNVDIABG-UHFFFAOYSA-N 0 3 299.378 2.118 20 30 CEEDHN C#C[C@H]1CC[C@H](NCc2cn(C(C)(C)C)nn2)CC1 ZINC000873198405 649585448 /nfs/dbraw/zinc/58/54/48/649585448.db2.gz IRECJPXWOLRXAD-JOCQHMNTSA-N 0 3 260.385 2.315 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)CCOCC1 ZINC000874825797 649843053 /nfs/dbraw/zinc/84/30/53/649843053.db2.gz RBEABODAKCWYBS-HUUCEWRRSA-N 0 3 292.423 2.054 20 30 CEEDHN CC1(C#N)CCN(C[C@@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000878389735 651083917 /nfs/dbraw/zinc/08/39/17/651083917.db2.gz RQQGXGWMFYVMPH-JKSUJKDBSA-N 0 3 288.391 2.097 20 30 CEEDHN C#CCCCCCN1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000878558418 651130376 /nfs/dbraw/zinc/13/03/76/651130376.db2.gz HIPUIIFNCOVBPB-CQSZACIVSA-N 0 3 271.426 2.079 20 30 CEEDHN C#CCCCCCN1CCN(c2cccc(C#N)n2)CC1 ZINC000878433415 651095197 /nfs/dbraw/zinc/09/51/97/651095197.db2.gz BQCTTWIVZAFJNG-UHFFFAOYSA-N 0 3 282.391 2.269 20 30 CEEDHN C[C@@H]1CN(C[C@@H]2CCC3(CCC3)O2)C[C@H](C)N1CC#N ZINC000878771387 651182441 /nfs/dbraw/zinc/18/24/41/651182441.db2.gz JYIZSBPVTWIRKF-ZNMIVQPWSA-N 0 3 277.412 2.006 20 30 CEEDHN C[C@H]1CN(CCSC(C)(C)C)C[C@H](C)N1CC#N ZINC000878773036 651183067 /nfs/dbraw/zinc/18/30/67/651183067.db2.gz VHLPQOGUVQUUFO-STQMWFEESA-N 0 3 269.458 2.436 20 30 CEEDHN CN(C[C@@H](O)c1cccc(C#N)c1)C[C@@H]1CC(C)(C)CO1 ZINC000878800787 651187999 /nfs/dbraw/zinc/18/79/99/651187999.db2.gz GITIYDKEEPCLCP-JKSUJKDBSA-N 0 3 288.391 2.339 20 30 CEEDHN C[C@H](C#N)OCCN1CCC(c2ccc(F)cn2)CC1 ZINC000879004493 651226933 /nfs/dbraw/zinc/22/69/33/651226933.db2.gz CKODSDKBSMJWFF-GFCCVEGCSA-N 0 3 277.343 2.329 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC([C@@H](F)C(N)=O)CC1 ZINC000879045065 651234071 /nfs/dbraw/zinc/23/40/71/651234071.db2.gz GSNVNKOLGXNXCC-IAQYHMDHSA-N 0 3 289.354 2.155 20 30 CEEDHN C=CC(C)(C)CC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000879170331 651254715 /nfs/dbraw/zinc/25/47/15/651254715.db2.gz YMLYRTLJNGJQSA-ZDUSSCGKSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CC(C)(C)CC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000879170329 651254842 /nfs/dbraw/zinc/25/48/42/651254842.db2.gz YMLYRTLJNGJQSA-CYBMUJFWSA-N 0 3 250.386 2.284 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)o1 ZINC000879418806 651300558 /nfs/dbraw/zinc/30/05/58/651300558.db2.gz KMDITFPHQIECTH-KKUMJFAQSA-N 0 3 260.337 2.277 20 30 CEEDHN C=CC(C)(C)CC(=O)NCCN1CC=C(C)CC1 ZINC000879483167 651309778 /nfs/dbraw/zinc/30/97/78/651309778.db2.gz DQUHEMFYGKPNBE-UHFFFAOYSA-N 0 3 250.386 2.357 20 30 CEEDHN C#CCCCN1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879691125 651340020 /nfs/dbraw/zinc/34/00/20/651340020.db2.gz OYMRPCOUONZDHC-HNNXBMFYSA-N 0 3 255.365 2.279 20 30 CEEDHN C=CCN1CC[C@@H](N2CC[C@@]3(CCc4ccccc43)C2)C1=O ZINC000879996985 651371166 /nfs/dbraw/zinc/37/11/66/651371166.db2.gz LKQSKQRSZAUADO-MJGOQNOKSA-N 0 3 296.414 2.363 20 30 CEEDHN CO[C@@]1(C(F)(F)F)CCN(CCCSCC#N)C1 ZINC000880302353 651420130 /nfs/dbraw/zinc/42/01/30/651420130.db2.gz FLLXNSBGCKXNRY-JTQLQIEISA-N 0 3 282.331 2.286 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](CF)C1 ZINC000880235260 651405499 /nfs/dbraw/zinc/40/54/99/651405499.db2.gz NEIXQLXYQUYEKK-KGLIPLIRSA-N 0 3 268.376 2.257 20 30 CEEDHN CC(C)(C#N)CCCCN1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880523251 651455161 /nfs/dbraw/zinc/45/51/61/651455161.db2.gz GICMRFPPUMAILD-UONOGXRCSA-N 0 3 277.412 2.307 20 30 CEEDHN CCC[C@H](N)c1cn(Cc2ccc(OCC#N)cc2)nn1 ZINC000881284825 651663127 /nfs/dbraw/zinc/66/31/27/651663127.db2.gz AYSQAZNVRDCIJF-AWEZNQCLSA-N 0 3 285.351 2.029 20 30 CEEDHN CCN1CC[C@H]1CNc1c(C#N)cnc2ccc(OC)cc21 ZINC000882958729 652288961 /nfs/dbraw/zinc/28/89/61/652288961.db2.gz IXGAMINYPATQNA-ZDUSSCGKSA-N 0 3 296.374 2.043 20 30 CEEDHN C#CC[C@@H](CO)NCc1cc(-c2ccncc2)ccc1OC ZINC000883124285 652370340 /nfs/dbraw/zinc/37/03/40/652370340.db2.gz CHIDAVVIIFQXRD-KRWDZBQOSA-N 0 3 296.370 2.231 20 30 CEEDHN COC[C@H](NCc1ccc(C#N)cc1F)[C@@H]1CCCOC1 ZINC000883187203 652393710 /nfs/dbraw/zinc/39/37/10/652393710.db2.gz IZZWTPLKQGEGMP-ZBFHGGJFSA-N 0 3 292.354 2.229 20 30 CEEDHN C#CC1(NCc2c3c(nn2C)CCCC3)CCCC1 ZINC000883362064 652443978 /nfs/dbraw/zinc/44/39/78/652443978.db2.gz SYCBYQANACEOCN-UHFFFAOYSA-N 0 3 257.381 2.335 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CC(=O)N(CC3CC3)C1)CC2 ZINC000883395712 652454703 /nfs/dbraw/zinc/45/47/03/652454703.db2.gz AQNPQITYTDRSOD-WBVHZDCISA-N 0 3 295.386 2.146 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cc(OC)c(OC)cc1F ZINC000883399387 652455897 /nfs/dbraw/zinc/45/58/97/652455897.db2.gz LGESOXIWAIGMLH-GFCCVEGCSA-N 0 3 283.343 2.260 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cccc2c1OCCCO2 ZINC000883401692 652457129 /nfs/dbraw/zinc/45/71/29/652457129.db2.gz UZGICGVQNSILNZ-AWEZNQCLSA-N 0 3 277.364 2.265 20 30 CEEDHN C[C@H](C#N)Oc1ccc(CN(C)[C@@H]2CCOC2)cc1 ZINC000132077833 652493322 /nfs/dbraw/zinc/49/33/22/652493322.db2.gz JOWLTKVCRPUDQK-TZMCWYRMSA-N 0 3 260.337 2.198 20 30 CEEDHN Cc1cccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c1C ZINC000884044584 652655587 /nfs/dbraw/zinc/65/55/87/652655587.db2.gz NUOXTRAWCDIISS-UUCFBXCCSA-N 0 3 283.375 2.381 20 30 CEEDHN CCN(C(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccccc1C ZINC000884047962 652659419 /nfs/dbraw/zinc/65/94/19/652659419.db2.gz SHTGOZPGQWVUMO-CSLYMUCUSA-N 0 3 297.402 2.487 20 30 CEEDHN CCC(CC)CN(CC)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884086820 652701714 /nfs/dbraw/zinc/70/17/14/652701714.db2.gz IYIJENKGGBAQEU-CKDBGZEDSA-N 0 3 291.439 2.410 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)[C@@H](N)CC1CC1 ZINC000884105498 652710286 /nfs/dbraw/zinc/71/02/86/652710286.db2.gz QMCVYNZPCAWGMS-INIZCTEOSA-N 0 3 272.392 2.371 20 30 CEEDHN CCc1ccccc1CNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884149712 652730196 /nfs/dbraw/zinc/73/01/96/652730196.db2.gz SZJGCPXHEFWSEI-PQUAAJSLSA-N 0 3 297.402 2.005 20 30 CEEDHN Cc1cc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cs1 ZINC000884464522 652864238 /nfs/dbraw/zinc/86/42/38/652864238.db2.gz RTIQGTLMGYEFKT-IQLKVPPVSA-N 0 3 275.377 2.134 20 30 CEEDHN N#Cc1ccccc1CNCCCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001167998395 805621790 /nfs/dbraw/zinc/62/17/90/805621790.db2.gz OBETYLYNJWOSGS-DLBZAZTESA-N 0 3 297.402 2.200 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C[C@H]2CCCCO2)[C@H]1CC ZINC001087537611 805712945 /nfs/dbraw/zinc/71/29/45/805712945.db2.gz MRWFVSUKYKQVDX-QLFBSQMISA-N 0 3 280.412 2.101 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@H]1CCN(CC=C)[C@@H]1CC ZINC001087601664 805758883 /nfs/dbraw/zinc/75/88/83/805758883.db2.gz DXJMREPZSKCGHG-LSDHHAIUSA-N 0 3 287.407 2.443 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)Cc2occc2C)[C@H]1CC ZINC001087718428 805778913 /nfs/dbraw/zinc/77/89/13/805778913.db2.gz NMNPWFYRDBXSNC-LSDHHAIUSA-N 0 3 288.391 2.123 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C(F)=C(C)C)C[C@@H]2C1 ZINC001087932458 805858231 /nfs/dbraw/zinc/85/82/31/805858231.db2.gz ZXHJSJNEPZETRJ-KGLIPLIRSA-N 0 3 278.371 2.053 20 30 CEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2ncc[nH]2)C1 ZINC001088310854 806107673 /nfs/dbraw/zinc/10/76/73/806107673.db2.gz GUBOOJFVCSYSHZ-LBPRGKRZSA-N 0 3 296.802 2.137 20 30 CEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cnco2)C1 ZINC001088356374 806149814 /nfs/dbraw/zinc/14/98/14/806149814.db2.gz YAXYQQQNNJBNLZ-LBPRGKRZSA-N 0 3 297.786 2.402 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2occc2C)[C@H]1C ZINC001088844501 806266650 /nfs/dbraw/zinc/26/66/50/806266650.db2.gz TWWCGORYWGVXRW-KGLIPLIRSA-N 0 3 276.380 2.286 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)SC ZINC001272015013 806274701 /nfs/dbraw/zinc/27/47/01/806274701.db2.gz FXABGGFFRPXLLL-RRFJBIMHSA-N 0 3 294.464 2.217 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C=C3CCC3)C2)C1 ZINC001040151392 806275553 /nfs/dbraw/zinc/27/55/53/806275553.db2.gz BHCLWWLCGVKLOV-QGZVFWFLSA-N 0 3 272.392 2.044 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccsc2C)[C@H]1C ZINC001088559360 806407510 /nfs/dbraw/zinc/40/75/10/806407510.db2.gz KDVHIHPHAKHITK-RISCZKNCSA-N 0 3 276.405 2.272 20 30 CEEDHN COC(=O)C1(C#N)CCN(C2CCC(C)CC2)CC1 ZINC001168225147 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ZINC001033751438 809400775 /nfs/dbraw/zinc/40/07/75/809400775.db2.gz IRFDTDUHNMHSMG-AWEZNQCLSA-N 0 3 274.364 2.148 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033949212 809459985 /nfs/dbraw/zinc/45/99/85/809459985.db2.gz FDWFUMUVUJYMJT-BZUAXINKSA-N 0 3 276.424 2.369 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2c[nH]cc2C)C1 ZINC001034040211 809485413 /nfs/dbraw/zinc/48/54/13/809485413.db2.gz QIEVUWCUVLZEKN-AWEZNQCLSA-N 0 3 275.396 2.436 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(C)nc2C)C1 ZINC001034048329 809487755 /nfs/dbraw/zinc/48/77/55/809487755.db2.gz GGTJANDPLBGNFE-INIZCTEOSA-N 0 3 299.418 2.258 20 30 CEEDHN C#CCCN1CCCC[C@H](NC(=O)c2occc2C)C1 ZINC001034105620 809515197 /nfs/dbraw/zinc/51/51/97/809515197.db2.gz UVXUZTXZAVIPME-AWEZNQCLSA-N 0 3 274.364 2.196 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2(F)CCOCC2)C1 ZINC001034234284 809556339 /nfs/dbraw/zinc/55/63/39/809556339.db2.gz KHFWGGMKLRLKNV-AWEZNQCLSA-N 0 3 298.402 2.052 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001034389021 809596518 /nfs/dbraw/zinc/59/65/18/809596518.db2.gz MGIPTAZIBYYXBG-AWEZNQCLSA-N 0 3 262.397 2.499 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2(C)CCOCC2)C1 ZINC001034445044 809606098 /nfs/dbraw/zinc/60/60/98/809606098.db2.gz PHLACRSYUVSJAO-OAHLLOKOSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(OC)cc2)C1 ZINC001034503490 809620994 /nfs/dbraw/zinc/62/09/94/809620994.db2.gz NNWJUAGQUHQWDK-HNNXBMFYSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(OC)cc2)C1 ZINC001034503492 809621099 /nfs/dbraw/zinc/62/10/99/809621099.db2.gz NNWJUAGQUHQWDK-OAHLLOKOSA-N 0 3 288.391 2.466 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001045606948 809710010 /nfs/dbraw/zinc/71/00/10/809710010.db2.gz OPHFJVGFJBVTQI-CABCVRRESA-N 0 3 276.424 2.273 20 30 CEEDHN CC(=O)N1CCC2(CCN(CC#Cc3ccccc3)C2)CC1 ZINC001035144097 809748844 /nfs/dbraw/zinc/74/88/44/809748844.db2.gz STIMZNWJIJPZIY-UHFFFAOYSA-N 0 3 296.414 2.373 20 30 CEEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CCN(C2CCC2)C1=O ZINC000708974462 809938762 /nfs/dbraw/zinc/93/87/62/809938762.db2.gz WBGNHQCRBFNMQG-YPMHNXCESA-N 0 3 263.385 2.058 20 30 CEEDHN N#CCCN(C1CCCC1)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172174822 815330551 /nfs/dbraw/zinc/33/05/51/815330551.db2.gz BDSFJMGHPJDMCC-GJZGRUSLSA-N 0 3 275.396 2.298 20 30 CEEDHN N#Cc1csc(CN[C@H](C2CCC2)[C@@H]2CCOC2)n1 ZINC000711859390 810100711 /nfs/dbraw/zinc/10/07/11/810100711.db2.gz WHLBMAKTDFJKBD-BXUZGUMPSA-N 0 3 277.393 2.310 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2C=CC=CC=C2)C1 ZINC001079781569 810233297 /nfs/dbraw/zinc/23/32/97/810233297.db2.gz UGUUWIPWUOQUTR-GDBMZVCRSA-N 0 3 272.392 2.297 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc3cccnc32)C1 ZINC001080057628 810244591 /nfs/dbraw/zinc/24/45/91/810244591.db2.gz OPMIRNCIUHUVTB-CZUORRHYSA-N 0 3 295.386 2.471 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001080084427 810246972 /nfs/dbraw/zinc/24/69/72/810246972.db2.gz YZJDACYQYURMLB-IAQYHMDHSA-N 0 3 288.391 2.278 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2ncccc2CC)C1 ZINC001015024854 810253847 /nfs/dbraw/zinc/25/38/47/810253847.db2.gz DMGYYBBUHCWQMA-CQSZACIVSA-N 0 3 273.380 2.024 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2nc(Cl)sc2C)C1 ZINC001015222947 810268224 /nfs/dbraw/zinc/26/82/24/810268224.db2.gz MBGBPZYUNNTCLI-SNVBAGLBSA-N 0 3 299.827 2.485 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3cccnc32)C1 ZINC001080344817 810272670 /nfs/dbraw/zinc/27/26/70/810272670.db2.gz OTARUSQCBGPRJG-FVQBIDKESA-N 0 3 299.418 2.124 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2c(C)onc2C2CC2)C1 ZINC001015311597 810279782 /nfs/dbraw/zinc/27/97/82/810279782.db2.gz SJCYCSRYZNOLSI-ZDUSSCGKSA-N 0 3 289.379 2.241 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001015400313 810285659 /nfs/dbraw/zinc/28/56/59/810285659.db2.gz WBBJLULONAWSRC-STQMWFEESA-N 0 3 284.350 2.026 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001080490405 810287076 /nfs/dbraw/zinc/28/70/76/810287076.db2.gz RYJMWFVBPOQLJH-RHSMWYFYSA-N 0 3 282.387 2.403 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001080513641 810288564 /nfs/dbraw/zinc/28/85/64/810288564.db2.gz MVWGNAFJFLPJSP-ZTFGCOKTSA-N 0 3 298.430 2.414 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001080513640 810289390 /nfs/dbraw/zinc/28/93/90/810289390.db2.gz MVWGNAFJFLPJSP-FHLIZLRMSA-N 0 3 298.430 2.414 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001080720125 810305198 /nfs/dbraw/zinc/30/51/98/810305198.db2.gz IUQVZLCVHQBLMD-ZIAGYGMSSA-N 0 3 280.387 2.119 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001015584491 810308510 /nfs/dbraw/zinc/30/85/10/810308510.db2.gz LERQRBXBXJWKCF-CYBMUJFWSA-N 0 3 275.396 2.347 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001015621626 810316677 /nfs/dbraw/zinc/31/66/77/810316677.db2.gz HVVYBHHYTBBKAE-CYBMUJFWSA-N 0 3 273.380 2.272 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001015634472 810320602 /nfs/dbraw/zinc/32/06/02/810320602.db2.gz PFWUUJQARLIMCU-ZBFHGGJFSA-N 0 3 270.376 2.093 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC001015653079 810325224 /nfs/dbraw/zinc/32/52/24/810325224.db2.gz KBPQIKVBUNXMMK-KRWDZBQOSA-N 0 3 284.403 2.060 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC001081018713 810328562 /nfs/dbraw/zinc/32/85/62/810328562.db2.gz KOZPCWFUDPAKCP-BXUZGUMPSA-N 0 3 299.374 2.372 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001016012929 810387190 /nfs/dbraw/zinc/38/71/90/810387190.db2.gz IWKKUJHQVDEYQQ-WBVHZDCISA-N 0 3 284.403 2.312 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2ccccc2F)C1 ZINC001016161369 810406077 /nfs/dbraw/zinc/40/60/77/810406077.db2.gz UIYAMDZNNVJJJU-CQSZACIVSA-N 0 3 276.355 2.135 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001016299211 810421269 /nfs/dbraw/zinc/42/12/69/810421269.db2.gz XELNLGIRZRSNNL-BBRMVZONSA-N 0 3 288.366 2.143 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)n1ncc2c1CCNC2 ZINC001172316356 815369465 /nfs/dbraw/zinc/36/94/65/815369465.db2.gz RXKOFEKRZXTGDW-LBPRGKRZSA-N 0 3 266.348 2.204 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cccc(C)c2)CC1 ZINC001016489675 810445809 /nfs/dbraw/zinc/44/58/09/810445809.db2.gz NNLYIKXKWSHDQF-MRXNPFEDSA-N 0 3 282.387 2.213 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(Cl)o2)CC1 ZINC001016510325 810446244 /nfs/dbraw/zinc/44/62/44/810446244.db2.gz SQDACJBMMNIILS-LBPRGKRZSA-N 0 3 292.766 2.151 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)Cc3cccc(C)c3)[C@@H]2C1 ZINC001084625286 810489123 /nfs/dbraw/zinc/48/91/23/810489123.db2.gz ZHZWOOBTOMQGFW-QZTJIDSGSA-N 0 3 296.414 2.094 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)C(C)C)[C@@H]2C1 ZINC001084698112 810502594 /nfs/dbraw/zinc/50/25/94/810502594.db2.gz JUUCGLXLUNKCGP-RRFJBIMHSA-N 0 3 264.413 2.387 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H](C)CO1 ZINC001017751155 810548711 /nfs/dbraw/zinc/54/87/11/810548711.db2.gz CBHXNCLXSBXQAX-JONQDZQNSA-N 0 3 292.423 2.053 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@@H]1C ZINC001018106177 810587385 /nfs/dbraw/zinc/58/73/85/810587385.db2.gz OYTSQTNYZDCOEM-LVQVYYBASA-N 0 3 292.423 2.053 20 30 CEEDHN C=CCCC(=O)NC[C@H]1CCC(C)(C)CN1CCOC ZINC001098965965 810614079 /nfs/dbraw/zinc/61/40/79/810614079.db2.gz FAIAPFSRDWGNLI-CQSZACIVSA-N 0 3 282.428 2.206 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc(C)ccc2C2CC2)C1 ZINC001019188442 810684282 /nfs/dbraw/zinc/68/42/82/810684282.db2.gz QVMZLKDPRWLRFN-HNNXBMFYSA-N 0 3 282.387 2.310 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@H](NCc2ncccc2C)C1 ZINC001019237866 810689462 /nfs/dbraw/zinc/68/94/62/810689462.db2.gz AVUGCVNROWRGLT-AWEZNQCLSA-N 0 3 287.407 2.293 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)/C=C/Cl ZINC001122179826 815390553 /nfs/dbraw/zinc/39/05/53/815390553.db2.gz GXXYFEHGQLDGMH-WTSVBCDHSA-N 0 3 251.157 2.104 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@H](CC)Cc2ccccc2)C1 ZINC001019454468 810712233 /nfs/dbraw/zinc/71/22/33/810712233.db2.gz ZESCWVYJXMYHIW-SJORKVTESA-N 0 3 284.403 2.079 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)CCc2cc(C)cc(C)c2)C1 ZINC001019612268 810724186 /nfs/dbraw/zinc/72/41/86/810724186.db2.gz CIECLTSVWOEBKQ-KRWDZBQOSA-N 0 3 284.403 2.060 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2c(Cl)cccc2Cl)C1 ZINC001019700637 810732089 /nfs/dbraw/zinc/73/20/89/810732089.db2.gz LHZXLDYZZWEGQK-JTQLQIEISA-N 0 3 297.185 2.431 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccsc2C(F)F)C1 ZINC001019716219 810733647 /nfs/dbraw/zinc/73/36/47/810733647.db2.gz PEHGHIOTXAYTNK-VIFPVBQESA-N 0 3 284.331 2.123 20 30 CEEDHN C=CCn1cccc1C(=O)NC[C@H]1CCN1CCC(=C)C ZINC001038346647 810827259 /nfs/dbraw/zinc/82/72/59/810827259.db2.gz YVWJOXVPRZRLTI-OAHLLOKOSA-N 0 3 287.407 2.444 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)ccn1C ZINC001085568548 810832285 /nfs/dbraw/zinc/83/22/85/810832285.db2.gz LAWQOOVRWLRZIU-AWEZNQCLSA-N 0 3 275.396 2.056 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc2cccn2cn1 ZINC001038394534 810833355 /nfs/dbraw/zinc/83/33/55/810833355.db2.gz SXUSMBKSJVUFLA-HNNXBMFYSA-N 0 3 298.390 2.105 20 30 CEEDHN C=CCOc1ccc(C(=O)NC[C@@H]2CCN2CCC)cc1 ZINC001038427900 810838084 /nfs/dbraw/zinc/83/80/84/810838084.db2.gz NEBOQHSYMBENHH-HNNXBMFYSA-N 0 3 288.391 2.466 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCN2CC(C)C)cc1 ZINC001038583150 810868755 /nfs/dbraw/zinc/86/87/55/810868755.db2.gz SRHGQGVTUGMWSL-MRXNPFEDSA-N 0 3 270.376 2.128 20 30 CEEDHN C[C@@H]1COC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000829430966 810870349 /nfs/dbraw/zinc/87/03/49/810870349.db2.gz FGEBPGTWDSDMBQ-NOZJJQNGSA-N 0 3 250.729 2.336 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc2n[nH]cc2c1 ZINC001038641544 810877013 /nfs/dbraw/zinc/87/70/13/810877013.db2.gz XVVUNMWYBJIBDQ-HNNXBMFYSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCC(C)(C)C1CCOCC1 ZINC001122354950 815404382 /nfs/dbraw/zinc/40/43/82/815404382.db2.gz QKTQCAYNJVWXAP-CQSZACIVSA-N 0 3 282.428 2.239 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccncc1CC ZINC001085684280 810878948 /nfs/dbraw/zinc/87/89/48/810878948.db2.gz OBDCDSLKBHMOQS-OAHLLOKOSA-N 0 3 287.407 2.366 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001038715589 810895730 /nfs/dbraw/zinc/89/57/30/810895730.db2.gz GRJGDKCIWIVTFK-QLFBSQMISA-N 0 3 264.413 2.435 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cn(C(C)C)cn1 ZINC001085740823 810897420 /nfs/dbraw/zinc/89/74/20/810897420.db2.gz BWFVFGDLFSUNNP-AWEZNQCLSA-N 0 3 290.411 2.186 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc2[nH]ncc21 ZINC001085756072 810902896 /nfs/dbraw/zinc/90/28/96/810902896.db2.gz ZKCLBJMUUJIVFL-CYBMUJFWSA-N 0 3 298.390 2.285 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c[nH]c2cccnc12 ZINC001038919600 810947700 /nfs/dbraw/zinc/94/77/00/810947700.db2.gz FUYCKEGVYOPZAW-ZDUSSCGKSA-N 0 3 298.390 2.333 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ncccc1F ZINC001085894241 810959614 /nfs/dbraw/zinc/95/96/14/810959614.db2.gz UQRMYXPOOMVTBG-ZDUSSCGKSA-N 0 3 291.370 2.333 20 30 CEEDHN C#CCNCCN(CC)C(=O)c1sc(C2CC2)nc1C ZINC001273373833 810970899 /nfs/dbraw/zinc/97/08/99/810970899.db2.gz FQHWHKYMTGKTMP-UHFFFAOYSA-N 0 3 291.420 2.014 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc(OC)c1 ZINC001085942680 810978230 /nfs/dbraw/zinc/97/82/30/810978230.db2.gz NTFSVAXORGQSNW-HNNXBMFYSA-N 0 3 288.391 2.418 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]ccc1C ZINC001039368795 811019486 /nfs/dbraw/zinc/01/94/86/811019486.db2.gz IZWZJMNXMOGFIP-CABCVRRESA-N 0 3 285.391 2.025 20 30 CEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccccn1 ZINC001039416305 811024093 /nfs/dbraw/zinc/02/40/93/811024093.db2.gz SUUYQVGWFBZSQG-SJORKVTESA-N 0 3 299.418 2.266 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2[nH]ccc2C)C1 ZINC001086074374 811024968 /nfs/dbraw/zinc/02/49/68/811024968.db2.gz PGCWTBWQUUVIND-TXEJJXNPSA-N 0 3 281.787 2.174 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H](F)C2)C1 ZINC001086179235 811053441 /nfs/dbraw/zinc/05/34/41/811053441.db2.gz GOVDHNKDFAIATF-LPWJVIDDSA-N 0 3 288.794 2.362 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC001040052481 811080623 /nfs/dbraw/zinc/08/06/23/811080623.db2.gz ICKWFYKOUWIFOP-KRWDZBQOSA-N 0 3 274.408 2.290 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC001040046417 811080778 /nfs/dbraw/zinc/08/07/78/811080778.db2.gz PADCSCHYTMGYPC-KRWDZBQOSA-N 0 3 276.424 2.370 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001122511221 815419928 /nfs/dbraw/zinc/41/99/28/815419928.db2.gz IWENXIJEIULDFF-NSHDSACASA-N 0 3 283.715 2.312 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001086332678 811105267 /nfs/dbraw/zinc/10/52/67/811105267.db2.gz OKMZYIXTDDUADF-WZNRFSEPSA-N 0 3 282.815 2.269 20 30 CEEDHN N#CC(C(=O)Cc1ccc(C2CCC2)cc1)C(=O)NC1CC1 ZINC001122542059 815424214 /nfs/dbraw/zinc/42/42/14/815424214.db2.gz GZWWRIFBZBBMTH-MRXNPFEDSA-N 0 3 296.370 2.484 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)C3=CCCC3)C2)C1 ZINC001041203151 811152582 /nfs/dbraw/zinc/15/25/82/811152582.db2.gz 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CC#CCN1C[C@@H]2CN(C(=O)c3cc(C)cc(C)c3)C[C@@H]2C1 ZINC001049188526 812085474 /nfs/dbraw/zinc/08/54/74/812085474.db2.gz CAKTWHNKUXSKDE-HDICACEKSA-N 0 3 296.414 2.331 20 30 CEEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1C=CCC1 ZINC001049312524 812115953 /nfs/dbraw/zinc/11/59/53/812115953.db2.gz FBTZEUXXMLYOCC-OWCLPIDISA-N 0 3 272.392 2.041 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1CC=CC1 ZINC001049396908 812137287 /nfs/dbraw/zinc/13/72/87/812137287.db2.gz QFUUZRIHWWVJLO-CABCVRRESA-N 0 3 260.381 2.204 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ncccc1C ZINC001049407197 812139627 /nfs/dbraw/zinc/13/96/27/812139627.db2.gz PSTTYJXPYJIMAM-HUUCEWRRSA-N 0 3 285.391 2.255 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cncc(F)c1 ZINC001049419975 812144002 /nfs/dbraw/zinc/14/40/02/812144002.db2.gz QIACGBBICNKFFG-GJZGRUSLSA-N 0 3 289.354 2.086 20 30 CEEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccccn1 ZINC001123337921 815505762 /nfs/dbraw/zinc/50/57/62/815505762.db2.gz VXJGOXGLBJYCFU-ZDUSSCGKSA-N 0 3 268.320 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282.771 2.097 20 30 CEEDHN CN1CC(CNc2nc3ccccc3cc2CC#N)C1 ZINC001170252571 812370844 /nfs/dbraw/zinc/37/08/44/812370844.db2.gz AXQJDYPYUGDZAC-UHFFFAOYSA-N 0 3 266.348 2.274 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)c(C)cn1)C2 ZINC001097570194 812377205 /nfs/dbraw/zinc/37/72/05/812377205.db2.gz DIMZQQXAUDTXFG-INMHGKMJSA-N 0 3 297.402 2.057 20 30 CEEDHN C=CC(=NCOC)N[C@H]1CCc2ccc(OC)cc2C1 ZINC001170409287 812408435 /nfs/dbraw/zinc/40/84/35/812408435.db2.gz KGTRMRGRUFQTTN-AWEZNQCLSA-N 0 3 274.364 2.331 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@@H](C)OC)C1 ZINC001097806065 812434508 /nfs/dbraw/zinc/43/45/08/812434508.db2.gz VSBDREGSKASYSY-TUVASFSCSA-N 0 3 292.423 2.099 20 30 CEEDHN C(#Cc1ccccc1)CNc1ccc2c(c1)COC21CNC1 ZINC001170429714 812450422 /nfs/dbraw/zinc/45/04/22/812450422.db2.gz UCOISUXNUUAVOA-UHFFFAOYSA-N 0 3 290.366 2.479 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001052729019 812451976 /nfs/dbraw/zinc/45/19/76/812451976.db2.gz 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/nfs/dbraw/zinc/54/92/50/812549250.db2.gz WNXFRICFDJPQHL-MRXNPFEDSA-N 0 3 292.398 2.074 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cc(C)[nH]c1C)C2 ZINC001054202906 812550167 /nfs/dbraw/zinc/55/01/67/812550167.db2.gz CRBQVYOKXWSVNF-GOSISDBHSA-N 0 3 299.418 2.193 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](C(F)(F)F)[C@H]2CO)C1 ZINC001254661548 812567133 /nfs/dbraw/zinc/56/71/33/812567133.db2.gz VJFYSNWZMDHAGM-WRWGMCAJSA-N 0 3 276.302 2.314 20 30 CEEDHN CC#CCNCCNC(=O)c1cc2cscc2s1 ZINC001131482716 812679219 /nfs/dbraw/zinc/67/92/19/812679219.db2.gz UVYNCMAAHAKUCV-UHFFFAOYSA-N 0 3 278.402 2.306 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)C[C@@H]2C[C@H]2C2CC2)cc1 ZINC001131525868 812686092 /nfs/dbraw/zinc/68/60/92/812686092.db2.gz OKCCIDHSISMTEL-IRXDYDNUSA-N 0 3 297.402 2.200 20 30 CEEDHN C#CCOc1ccc(CN2CCN(CC)C[C@@H]2C)cc1 ZINC000809697705 812734280 /nfs/dbraw/zinc/73/42/80/812734280.db2.gz MWXUSSNBCIXWTK-HNNXBMFYSA-N 0 3 272.392 2.225 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)NCCNCc1ccsc1 ZINC001131870256 812744568 /nfs/dbraw/zinc/74/45/68/812744568.db2.gz PGRJIFAGWFDEIB-HNNXBMFYSA-N 0 3 296.436 2.183 20 30 CEEDHN C=CCCC(=O)N[C@H]1CC[C@H](C)N(CC(=C)C)C1 ZINC001131894955 812750033 /nfs/dbraw/zinc/75/00/33/812750033.db2.gz DOHIRCQHQNONLE-KBPBESRZSA-N 0 3 250.386 2.498 20 30 CEEDHN C=CCCC(=O)N[C@H]1CC[C@@H](C)N(CCOC(C)C)C1 ZINC001131895843 812753607 /nfs/dbraw/zinc/75/36/07/812753607.db2.gz MHMOTBLVHCNVNS-CABCVRRESA-N 0 3 282.428 2.347 20 30 CEEDHN C#CCCN1C[C@@H]2CCCN(C(=O)[C@H](CC)SC)[C@@H]2C1 ZINC001050024470 812772028 /nfs/dbraw/zinc/77/20/28/812772028.db2.gz HFJQYBFNDNHLAB-ZNMIVQPWSA-N 0 3 294.464 2.074 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H](C)C(F)(F)F)[C@@H]2C1 ZINC001050114996 812784952 /nfs/dbraw/zinc/78/49/52/812784952.db2.gz IJLQTDRKLDRPRD-SDDRHHMPSA-N 0 3 290.329 2.294 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H](C)c3cccnc3)[C@@H]2C1 ZINC001050184604 812792192 /nfs/dbraw/zinc/79/21/92/812792192.db2.gz MWFVCLJHUPMDAL-HYVNUMGLSA-N 0 3 299.418 2.294 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)CCc2ccon2)CC[C@@H]1C ZINC001132181979 812797046 /nfs/dbraw/zinc/79/70/46/812797046.db2.gz CEEBPIJMXBKTAS-DZGCQCFKSA-N 0 3 291.395 2.152 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CC(F)(F)C(F)F)CC[C@@H]1C ZINC001132309938 812826766 /nfs/dbraw/zinc/82/67/66/812826766.db2.gz GSIFTYDATMACQQ-VHSXEESVSA-N 0 3 296.308 2.432 20 30 CEEDHN C=CC(C)(C)C(=O)NCCNCc1ccc(F)cc1 ZINC001132391268 812841705 /nfs/dbraw/zinc/84/17/05/812841705.db2.gz GFCOBENYJCUGAH-UHFFFAOYSA-N 0 3 264.344 2.244 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C3(C)CC=CC3)C2)CC1 ZINC001050646885 812847359 /nfs/dbraw/zinc/84/73/59/812847359.db2.gz NUIMZQZNSRMLJJ-UHFFFAOYSA-N 0 3 286.419 2.290 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1cnc(C)s1 ZINC001132650513 812919146 /nfs/dbraw/zinc/91/91/46/812919146.db2.gz KMLGLDBAHDRSPZ-NSHDSACASA-N 0 3 281.425 2.260 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)C2CCCC2)CC1 ZINC001052144089 812934827 /nfs/dbraw/zinc/93/48/27/812934827.db2.gz GMKNAUJJAXFBGJ-OAHLLOKOSA-N 0 3 262.397 2.171 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H]2CC2(C)C)CC1 ZINC001052317402 812967246 /nfs/dbraw/zinc/96/72/46/812967246.db2.gz IMYCBSPEJGXZFF-ZIAGYGMSSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)[C@]2(C)CC=CCC2)CC1 ZINC001052410069 812988269 /nfs/dbraw/zinc/98/82/69/812988269.db2.gz BGHPFXPSBAOGNZ-NVXWUHKLSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC001052582418 813009064 /nfs/dbraw/zinc/00/90/64/813009064.db2.gz ASWYGEROYIBFCY-VVLHAWIVSA-N 0 3 288.435 2.417 20 30 CEEDHN C=C1CCC(C(=O)NCCNC[C@@H](F)CC)CC1 ZINC001133365387 813039538 /nfs/dbraw/zinc/03/95/38/813039538.db2.gz OJWQYRIIPFEKHN-ZDUSSCGKSA-N 0 3 256.365 2.187 20 30 CEEDHN C=CCC1(C(=O)NCCNC/C=C\Cl)CCC1 ZINC001133397957 813045531 /nfs/dbraw/zinc/04/55/31/813045531.db2.gz WTCDRGPGCFBKKF-YWEYNIOJSA-N 0 3 256.777 2.191 20 30 CEEDHN C#CCCCC(=O)NCC1CC(NCc2ncccc2C)C1 ZINC001100283262 813111848 /nfs/dbraw/zinc/11/18/48/813111848.db2.gz HUOPSCJYOKDZKJ-UHFFFAOYSA-N 0 3 299.418 2.178 20 30 CEEDHN C#CCN(C)[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173067598 815577303 /nfs/dbraw/zinc/57/73/03/815577303.db2.gz XXTNKCVAPQZBMH-CHWSQXEVSA-N 0 3 266.385 2.339 20 30 CEEDHN CC#CCNCCNC(=O)[C@H](c1ccccc1)C(C)C ZINC001134416879 813268248 /nfs/dbraw/zinc/26/82/48/813268248.db2.gz MPWAFILJQLLMJR-INIZCTEOSA-N 0 3 272.392 2.155 20 30 CEEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1nccn1C ZINC001134469457 813276898 /nfs/dbraw/zinc/27/68/98/813276898.db2.gz CKAGSWVFPKLGJV-KBPBESRZSA-N 0 3 292.427 2.149 20 30 CEEDHN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1cnns1 ZINC001134476524 813279749 /nfs/dbraw/zinc/27/97/49/813279749.db2.gz TVXWRRGUCIZVLU-VXGBXAGGSA-N 0 3 296.440 2.267 20 30 CEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)/C(C)=C/C)C[C@H](C)O2 ZINC001071152200 813327448 /nfs/dbraw/zinc/32/74/48/813327448.db2.gz UBIWYAFITVYWKI-ALIHALAESA-N 0 3 292.423 2.221 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)C2CCC2)CC[C@@H]1C ZINC001071303399 813356944 /nfs/dbraw/zinc/35/69/44/813356944.db2.gz XOLMXHAZRRMKCO-JSGCOSHPSA-N 0 3 250.386 2.332 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C)n2C)CC[C@@H]1C ZINC001071345250 813371647 /nfs/dbraw/zinc/37/16/47/813371647.db2.gz PNHNWCQYCQVPQN-LSDHHAIUSA-N 0 3 289.423 2.492 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2occc2C)CC[C@H]1C ZINC001071352175 813374268 /nfs/dbraw/zinc/37/42/68/813374268.db2.gz NSFQBEDAABSRNW-KGLIPLIRSA-N 0 3 274.364 2.194 20 30 CEEDHN C=CCCN1C[C@H](NC(=O)c2oc(C)nc2C)CC[C@H]1C ZINC001071407365 813394193 /nfs/dbraw/zinc/39/41/93/813394193.db2.gz ZRXVMAKKRJKPMQ-BXUZGUMPSA-N 0 3 291.395 2.450 20 30 CEEDHN C=CCN1C[C@H](NC(=O)Cc2ccncc2C)CC[C@H]1C ZINC001071508903 813425682 /nfs/dbraw/zinc/42/56/82/813425682.db2.gz VABFEKUVKXKGNP-GDBMZVCRSA-N 0 3 287.407 2.088 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc[nH]c2)CC[C@@H]1C ZINC001071526856 813430403 /nfs/dbraw/zinc/43/04/03/813430403.db2.gz VHWKPWUHZBSLFK-JSGCOSHPSA-N 0 3 261.369 2.174 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)c2ccn3cncc3c2)CC[C@@H]1C ZINC001071652894 813460943 /nfs/dbraw/zinc/46/09/43/813460943.db2.gz QCMMFOLLMOJUET-ZFWWWQNUSA-N 0 3 298.390 2.103 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(Cl)[nH]2)CC[C@@H]1C ZINC001071804264 813486222 /nfs/dbraw/zinc/48/62/22/813486222.db2.gz ZIDBWZFMBLLENU-NWDGAFQWSA-N 0 3 293.798 2.274 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)CC2=CCOCC2)CC[C@H]1C ZINC001071806778 813488029 /nfs/dbraw/zinc/48/80/29/813488029.db2.gz IQIKMDQXTJFKMD-ZBFHGGJFSA-N 0 3 292.423 2.268 20 30 CEEDHN CC[C@H](C)[C@@H](C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001135858933 813548558 /nfs/dbraw/zinc/54/85/58/813548558.db2.gz GXDDLWAGWCNANJ-UONOGXRCSA-N 0 3 287.407 2.446 20 30 CEEDHN CC(C)[C@]1(C)C[C@H]1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001136094115 813614072 /nfs/dbraw/zinc/61/40/72/813614072.db2.gz HCVHPDFHOBQLLT-WMZOPIPTSA-N 0 3 299.418 2.446 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CC34CCCC4)C2)C1 ZINC001073101483 813725352 /nfs/dbraw/zinc/72/53/52/813725352.db2.gz NWZXHMVYAYCRKT-CQSZACIVSA-N 0 3 274.408 2.287 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC=CCC2)C1 ZINC001098725875 813939831 /nfs/dbraw/zinc/93/98/31/813939831.db2.gz SCGOYLGACJWRJU-RYRKJORJSA-N 0 3 286.419 2.337 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccoc2)C1 ZINC001098728116 813940860 /nfs/dbraw/zinc/94/08/60/813940860.db2.gz UKNYSPHGKKTEGF-HOCLYGCPSA-N 0 3 274.364 2.440 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(F)nc2)C1 ZINC001090960633 813941712 /nfs/dbraw/zinc/94/17/12/813941712.db2.gz QIEKAVFIDXDJDM-UHFFFAOYSA-N 0 3 297.761 2.071 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC2(C)C)C1 ZINC001098788469 813949658 /nfs/dbraw/zinc/94/96/58/813949658.db2.gz UBHDFVHHIVGAGG-ZENOOKHLSA-N 0 3 262.397 2.189 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C2CCC2)C1 ZINC001098897483 813962664 /nfs/dbraw/zinc/96/26/64/813962664.db2.gz FURLTTLPSNONHU-HFTRVMKXSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001098951815 813964603 /nfs/dbraw/zinc/96/46/03/813964603.db2.gz ZENPUKKUYMIHJK-OVWQWFNUSA-N 0 3 286.419 2.027 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cocc2C)C1 ZINC001098976713 813969426 /nfs/dbraw/zinc/96/94/26/813969426.db2.gz SOMJRRABHWAKNL-BBRMVZONSA-N 0 3 274.364 2.358 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC23CCC3)C1 ZINC001099056516 813982601 /nfs/dbraw/zinc/98/26/01/813982601.db2.gz YBHNNQNBOFXPDX-ZQIUZPCESA-N 0 3 274.408 2.333 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2c[nH]cc2C)C1 ZINC001099157870 813991546 /nfs/dbraw/zinc/99/15/46/813991546.db2.gz NQADTIDOSVTYFT-BBRMVZONSA-N 0 3 273.380 2.093 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C(CC)(CC)CC)[C@@H](O)C1 ZINC001100051702 814057456 /nfs/dbraw/zinc/05/74/56/814057456.db2.gz ZAJIAOOUXZAZKI-GJZGRUSLSA-N 0 3 296.455 2.330 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C2(CC)CCCC2)[C@@H](O)C1 ZINC001100055629 814057682 /nfs/dbraw/zinc/05/76/82/814057682.db2.gz GLPUCGHWRZLBNX-GJZGRUSLSA-N 0 3 294.439 2.084 20 30 CEEDHN C=CCCC(=O)NCC1CC(NCc2ncccc2C)C1 ZINC001100170279 814067306 /nfs/dbraw/zinc/06/73/06/814067306.db2.gz HDAVKIIWLDMCMG-UHFFFAOYSA-N 0 3 287.407 2.341 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)COC(C)(C)C)C1 ZINC001100261867 814087028 /nfs/dbraw/zinc/08/70/28/814087028.db2.gz UROKEACUSGMXGV-UHFFFAOYSA-N 0 3 288.819 2.038 20 30 CEEDHN CC#CCNCCNC(=O)c1ccsc1C(F)F ZINC001149378016 814100060 /nfs/dbraw/zinc/10/00/60/814100060.db2.gz UOTYFBFMDLDBPR-UHFFFAOYSA-N 0 3 272.320 2.028 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@](C)(F)CCCC)C[C@]2(C)C1 ZINC001101283061 814242320 /nfs/dbraw/zinc/24/23/20/814242320.db2.gz QOUOTFYELBJULN-HYVNUMGLSA-N 0 3 294.414 2.318 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@@H]3C=CCC3)C[C@]2(C)C1 ZINC001091468198 814249102 /nfs/dbraw/zinc/24/91/02/814249102.db2.gz JHPPDMIHPSYYQE-NUJGCVRESA-N 0 3 286.419 2.146 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)CCCC3CC3)C[C@]2(C)C1 ZINC001101334728 814249389 /nfs/dbraw/zinc/24/93/89/814249389.db2.gz VIDBCZYCUHVOMD-AEFFLSMTSA-N 0 3 288.435 2.370 20 30 CEEDHN CC[C@@H](F)CN1C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C1 ZINC001101955175 814348774 /nfs/dbraw/zinc/34/87/74/814348774.db2.gz VWRQFMFQMGQOQS-RBSFLKMASA-N 0 3 296.430 2.468 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@H](OCC)C(C)C)C2)C1 ZINC001147716764 814486864 /nfs/dbraw/zinc/48/68/64/814486864.db2.gz LYFPEVACTSDIFB-HNNXBMFYSA-N 0 3 294.439 2.158 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)[C@H](C)C=C)C2)C1 ZINC001148137942 814527653 /nfs/dbraw/zinc/52/76/53/814527653.db2.gz JIUGIQZATBIMJK-KGLIPLIRSA-N 0 3 262.397 2.165 20 30 CEEDHN CCCCCCCCC(=O)NCCNCc1ccnn1C ZINC001148728125 814607275 /nfs/dbraw/zinc/60/72/75/814607275.db2.gz WVDGNQYQRGYYSZ-UHFFFAOYSA-N 0 3 294.443 2.377 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CCC)OCC)C1 ZINC001111847156 814620354 /nfs/dbraw/zinc/62/03/54/814620354.db2.gz KQHDRXVRXWAMEM-UXLLHSPISA-N 0 3 294.439 2.348 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@]3(C)C=CCC3)C[C@]2(C)C1 ZINC001091918355 814676131 /nfs/dbraw/zinc/67/61/31/814676131.db2.gz KGJTZSQSBJWHCZ-NJAFHUGGSA-N 0 3 286.419 2.146 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cocc3C)C[C@]2(C)C1 ZINC001091926604 814677267 /nfs/dbraw/zinc/67/72/67/814677267.db2.gz GSAFSYFSDAXFTG-PBHICJAKSA-N 0 3 286.375 2.005 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C3(CC)CCC3)C[C@]2(C)C1 ZINC001091934605 814681153 /nfs/dbraw/zinc/68/11/53/814681153.db2.gz HTMGNTOBDXCCSF-WBVHZDCISA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCC1(C(=O)N[C@@H]2[C@H]3CN(CC=C)C[C@H]32)CCCCC1 ZINC001115327050 814694297 /nfs/dbraw/zinc/69/42/97/814694297.db2.gz YXARCTNLDNPJBE-ZSHCYNCHSA-N 0 3 286.419 2.193 20 30 CEEDHN C[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1CNC(=O)C1CC1 ZINC001092415285 814706177 /nfs/dbraw/zinc/70/61/77/814706177.db2.gz WLDXRMDCZXWWHA-CRAIPNDOSA-N 0 3 296.414 2.132 20 30 CEEDHN CS[C@@H]1CC[C@H](N(C)CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC001116150559 814838028 /nfs/dbraw/zinc/83/80/28/814838028.db2.gz RBMSWYZUZBNWQV-GUTXKFCHSA-N 0 3 295.452 2.011 20 30 CEEDHN CCOC(=O)c1c(CN)ncn1C1CCC(C)(C#N)CC1 ZINC001173587164 815754502 /nfs/dbraw/zinc/75/45/02/815754502.db2.gz PPJWOFYWWXOMHX-UHFFFAOYSA-N 0 3 290.367 2.163 20 30 CEEDHN C#CCOc1ccc(CN(CC)CCOC)cc1OC ZINC001138340759 815771351 /nfs/dbraw/zinc/77/13/51/815771351.db2.gz BGEJEJGOBUQGIC-UHFFFAOYSA-N 0 3 277.364 2.176 20 30 CEEDHN C#CCOc1ccc(CN2CCCC[C@@H](O)C2)cc1OC ZINC001138344097 815771677 /nfs/dbraw/zinc/77/16/77/815771677.db2.gz XGLHISCDPMZCGJ-OAHLLOKOSA-N 0 3 289.375 2.054 20 30 CEEDHN C#CCOc1ccc(CN2CC[C@H](C(C)=O)C2)cc1 ZINC001138560506 815829414 /nfs/dbraw/zinc/82/94/14/815829414.db2.gz XVEDFBWCJHLBQZ-HNNXBMFYSA-N 0 3 257.333 2.110 20 30 CEEDHN COC(=O)[C@H]1CCCN(Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139701689 816088337 /nfs/dbraw/zinc/08/83/37/816088337.db2.gz NXJKFBMWSFOJRV-ZDUSSCGKSA-N 0 3 297.358 2.425 20 30 CEEDHN Cc1ccc(CN2CCC3SC(=O)C=C3C2)nc1 ZINC001139839861 816125347 /nfs/dbraw/zinc/12/53/47/816125347.db2.gz WSUULWCQHPASNJ-ZDUSSCGKSA-N 0 3 260.362 2.164 20 30 CEEDHN C[C@]1(O)CCCCN(Cc2ccc(C#N)cc2F)C1 ZINC001140135969 816197924 /nfs/dbraw/zinc/19/79/24/816197924.db2.gz ATJZYKHCRDMCMN-HNNXBMFYSA-N 0 3 262.328 2.434 20 30 CEEDHN CCN1CCN(c2ccc(CN3CC[C@H](C#N)C3)cc2)CC1 ZINC001140306450 816227306 /nfs/dbraw/zinc/22/73/06/816227306.db2.gz SELILXPGZIABDB-QGZVFWFLSA-N 0 3 298.434 2.174 20 30 CEEDHN CCCCCN1CCN(Cc2ccc(C#N)nc2)CC1 ZINC001140543158 816282425 /nfs/dbraw/zinc/28/24/25/816282425.db2.gz LCUJQGYBOKFDDZ-UHFFFAOYSA-N 0 3 272.396 2.261 20 30 CEEDHN CN(CCc1cccnc1)Cc1ccc(C#N)nc1 ZINC001140544630 816283149 /nfs/dbraw/zinc/28/31/49/816283149.db2.gz WUOZMYCTUPAGHP-UHFFFAOYSA-N 0 3 252.321 2.023 20 30 CEEDHN CCN1CCN(Cc2cc(F)c(C#N)c(F)c2)[C@H](C)C1 ZINC001140755371 816346609 /nfs/dbraw/zinc/34/66/09/816346609.db2.gz CHPNDZHJGWZIHW-LLVKDONJSA-N 0 3 279.334 2.362 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1scnc1Cl ZINC001176221667 816368092 /nfs/dbraw/zinc/36/80/92/816368092.db2.gz MVBCWIOZQHXCTM-UHFFFAOYSA-N 0 3 294.207 2.259 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)CCCCCOCC ZINC001177237802 816535520 /nfs/dbraw/zinc/53/55/20/816535520.db2.gz KIUYABXKFIDFJZ-UHFFFAOYSA-N 0 3 290.835 2.432 20 30 CEEDHN CCn1ccc(CNCCc2ccc(C#N)cc2)n1 ZINC001203113867 816587468 /nfs/dbraw/zinc/58/74/68/816587468.db2.gz UKPQPKLYNPBVEO-UHFFFAOYSA-N 0 3 254.337 2.107 20 30 CEEDHN CC(C)(C)c1nc[nH]c1CN1CCC2SC(=O)C=C2C1 ZINC001142217520 816641644 /nfs/dbraw/zinc/64/16/44/816641644.db2.gz JMEGOQXKCBCGCD-GFCCVEGCSA-N 0 3 291.420 2.481 20 30 CEEDHN C[C@@H](C#N)C(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001178351660 816723752 /nfs/dbraw/zinc/72/37/52/816723752.db2.gz UXDAIMVDTBZQPE-GUBZILKMSA-N 0 3 290.194 2.044 20 30 CEEDHN C=CC(C)(C)CC(=O)N1CC[C@H](NCCF)[C@@H]1C ZINC001178795737 816793941 /nfs/dbraw/zinc/79/39/41/816793941.db2.gz WNIZKLGLEQNVSA-RYUDHWBXSA-N 0 3 256.365 2.137 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)/C=C(/C)CC)C1 ZINC001149688106 816888548 /nfs/dbraw/zinc/88/85/48/816888548.db2.gz SVYXHPICEMLDGA-MZLJFPOFSA-N 0 3 280.412 2.126 20 30 CEEDHN CC[C@@H]1CCCCN1CCNc1cnc(C#N)cn1 ZINC000124613239 187145960 /nfs/dbraw/zinc/14/59/60/187145960.db2.gz SLPSDRVQJZNDHF-CYBMUJFWSA-N 0 3 259.357 2.025 20 30 CEEDHN CC[C@H]1CCCCN1CCNc1cnc(C#N)cn1 ZINC000124613406 187146015 /nfs/dbraw/zinc/14/60/15/187146015.db2.gz SLPSDRVQJZNDHF-ZDUSSCGKSA-N 0 3 259.357 2.025 20 30 CEEDHN N#CC1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCC1 ZINC000121408770 365564162 /nfs/dbraw/zinc/56/41/62/365564162.db2.gz OHCLLWNGKMFODX-MRXNPFEDSA-N 0 3 297.402 2.461 20 30 CEEDHN CC(C)(C#N)C(=O)NC[C@@H]1CCCN1CCc1ccccc1 ZINC000079604187 343985809 /nfs/dbraw/zinc/98/58/09/343985809.db2.gz VQPDUTDHJJKHHJ-INIZCTEOSA-N 0 3 299.418 2.359 20 30 CEEDHN CC1(C)CCCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000336585001 365678819 /nfs/dbraw/zinc/67/88/19/365678819.db2.gz IBRFSYHKFUKGDU-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN C[C@H]1CN(C(=O)c2ccccc2CC#N)CCN(C2CC2)C1 ZINC000601601209 346857772 /nfs/dbraw/zinc/85/77/72/346857772.db2.gz IQKPXLUGNIQKDM-CQSZACIVSA-N 0 3 297.402 2.309 20 30 CEEDHN CN1CCC[C@@]2(CCN(C(=O)C3(C#N)CC4(CC4)C3)C2)C1 ZINC000601606779 346859073 /nfs/dbraw/zinc/85/90/73/346859073.db2.gz LFXIQVCFJLIDGT-MRXNPFEDSA-N 0 3 287.407 2.015 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000337835302 214280310 /nfs/dbraw/zinc/28/03/10/214280310.db2.gz UGDMQMJDVCJWQB-WFASDCNBSA-N 0 3 271.364 2.079 20 30 CEEDHN CC(C)CN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000037108532 361896568 /nfs/dbraw/zinc/89/65/68/361896568.db2.gz FLEPYOUGYVJSBR-GFCCVEGCSA-N 0 3 259.353 2.473 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)C(C#N)CCc2ccccc2)[C@@H](C)O1 ZINC000601772397 346894760 /nfs/dbraw/zinc/89/47/60/346894760.db2.gz UCIUSMUJUBSCBX-VDERGJSUSA-N 0 3 286.375 2.441 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000329623517 539244551 /nfs/dbraw/zinc/24/45/51/539244551.db2.gz HMDWZMCZXOKOMU-BFHYXJOUSA-N 0 3 278.400 2.057 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](C)C1 ZINC000042244938 362073632 /nfs/dbraw/zinc/07/36/32/362073632.db2.gz YFGWVISKEDANRC-KGLIPLIRSA-N 0 3 250.386 2.307 20 30 CEEDHN N#CCCCCN1CCN(Cc2ccccc2)CC1 ZINC000042306874 362081004 /nfs/dbraw/zinc/08/10/04/362081004.db2.gz ZZPBYWIAAXDITJ-UHFFFAOYSA-N 0 3 257.381 2.498 20 30 CEEDHN CNC(=O)[C@H](CC(C)C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037161679 343425544 /nfs/dbraw/zinc/42/55/44/343425544.db2.gz QDBVRPZPPPXGBT-WFASDCNBSA-N 0 3 273.380 2.370 20 30 CEEDHN O=C(CNC1CC1)Nc1ncc(Br)s1 ZINC000037477063 343427783 /nfs/dbraw/zinc/42/77/83/343427783.db2.gz XOHCLKYYSUOCOS-UHFFFAOYSA-N 0 3 276.159 2.246 20 30 CEEDHN C=C(C)CN(CC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046444533 343499371 /nfs/dbraw/zinc/49/93/71/343499371.db2.gz IUEDEFIZDJLEHB-CQSZACIVSA-N 0 3 294.351 2.233 20 30 CEEDHN Cn1cc(CN[C@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000336699985 365766084 /nfs/dbraw/zinc/76/60/84/365766084.db2.gz DMJXLDLJOGJRQD-KRWDZBQOSA-N 0 3 294.402 2.261 20 30 CEEDHN C=CCOc1ccc(C(=O)NC[C@H](C)N(C)C2CC2)cc1 ZINC000057711023 343635725 /nfs/dbraw/zinc/63/57/25/343635725.db2.gz NNCKBAXHCWCHLB-ZDUSSCGKSA-N 0 3 288.391 2.464 20 30 CEEDHN C[C@H](CCCO)CNCc1cccc(F)c1C#N ZINC000602023594 346963219 /nfs/dbraw/zinc/96/32/19/346963219.db2.gz JUEULSRKZVXGRL-LLVKDONJSA-N 0 3 250.317 2.196 20 30 CEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC#N ZINC000072850674 343813866 /nfs/dbraw/zinc/81/38/66/343813866.db2.gz MKXOERONBOBXEK-UHFFFAOYSA-N 0 3 291.424 2.108 20 30 CEEDHN CC(C)N1CCC(N(C)C(=O)C#Cc2ccccc2)CC1 ZINC000081128557 344040182 /nfs/dbraw/zinc/04/01/82/344040182.db2.gz BOVUKKIXIPCLJK-UHFFFAOYSA-N 0 3 284.403 2.369 20 30 CEEDHN CC(C)N1CCCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000075693293 343863162 /nfs/dbraw/zinc/86/31/62/343863162.db2.gz MROLNWPVCVNQDD-UHFFFAOYSA-N 0 3 277.412 2.403 20 30 CEEDHN CCC1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000048334897 362256241 /nfs/dbraw/zinc/25/62/41/362256241.db2.gz MKTSRIVXNPNMJH-INIZCTEOSA-N 0 3 288.391 2.420 20 30 CEEDHN N#Cc1cccc(OCCCN2CCN(C3CC3)CC2)c1 ZINC000048993456 362320539 /nfs/dbraw/zinc/32/05/39/362320539.db2.gz SBPUKWDJTUZKNM-UHFFFAOYSA-N 0 3 285.391 2.107 20 30 CEEDHN O=C(C#Cc1ccccc1)N1CC[C@H](N2CCCCC2)C1 ZINC000081688980 344062155 /nfs/dbraw/zinc/06/21/55/344062155.db2.gz MOJIYMNIDLTETR-KRWDZBQOSA-N 0 3 282.387 2.125 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccc(CC)c2O)CC1 ZINC000081779804 344064445 /nfs/dbraw/zinc/06/44/45/344064445.db2.gz UGRUKWKVCDSXHR-UHFFFAOYSA-N 0 3 288.391 2.335 20 30 CEEDHN CCC(C#N)(CC)C(=O)NC[C@@H](N)c1ccccc1 ZINC000602429644 347029409 /nfs/dbraw/zinc/02/94/09/347029409.db2.gz QYTWWPSBJNWQDX-CYBMUJFWSA-N 0 3 259.353 2.133 20 30 CEEDHN Cc1noc([C@H]2CCCN(C[C@@H](C)CCC#N)C2)n1 ZINC000602444985 347035873 /nfs/dbraw/zinc/03/58/73/347035873.db2.gz KUKFXFVOCHIQRN-AAEUAGOBSA-N 0 3 262.357 2.497 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)CC1CCCC1 ZINC000049492015 362367827 /nfs/dbraw/zinc/36/78/27/362367827.db2.gz MMMVFCCRGMBWIG-OAHLLOKOSA-N 0 3 265.401 2.163 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)C2CC2)CC1 ZINC000106341121 344257725 /nfs/dbraw/zinc/25/77/25/344257725.db2.gz HDBQATDBANGDJI-CYBMUJFWSA-N 0 3 279.428 2.467 20 30 CEEDHN CC[C@@H]1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000125604519 344319731 /nfs/dbraw/zinc/31/97/31/344319731.db2.gz GEWOASJFBFZDTD-UONOGXRCSA-N 0 3 277.412 2.449 20 30 CEEDHN CN(Cc1ccccc1)C[C@@H](O)COc1cccc(C#N)c1 ZINC000122103380 344305468 /nfs/dbraw/zinc/30/54/68/344305468.db2.gz ZATAIXCWAWUQBX-QGZVFWFLSA-N 0 3 296.370 2.430 20 30 CEEDHN Cc1cc(C)c(C#N)c(N[C@H]2CCN(C)[C@@H](C)C2)n1 ZINC000227497524 344553611 /nfs/dbraw/zinc/55/36/11/344553611.db2.gz DXYASIUEJIMANK-STQMWFEESA-N 0 3 258.369 2.465 20 30 CEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccnc1 ZINC000602501407 347058536 /nfs/dbraw/zinc/05/85/36/347058536.db2.gz DPFUSVBOXLSUPJ-ZDUSSCGKSA-N 0 3 259.353 2.270 20 30 CEEDHN CN(Cc1cccc(C#N)c1F)C1(CCO)CCOCC1 ZINC000355019398 529993172 /nfs/dbraw/zinc/99/31/72/529993172.db2.gz ZBLQGQZYIFBIJR-UHFFFAOYSA-N 0 3 292.354 2.061 20 30 CEEDHN CN(CCNCc1cccc(C#N)n1)c1ccccc1 ZINC000602510312 347062021 /nfs/dbraw/zinc/06/20/21/347062021.db2.gz LWLNZCNLOLQAME-UHFFFAOYSA-N 0 3 266.348 2.179 20 30 CEEDHN C[C@@H](NC[C@H](O)COc1ccccc1C#N)c1cccnc1 ZINC000314533178 344745851 /nfs/dbraw/zinc/74/58/51/344745851.db2.gz HPPBGIMJBCQCKJ-CJNGLKHVSA-N 0 3 297.358 2.044 20 30 CEEDHN CC1(NC(=O)[C@H](N)CCCC#N)CCC(F)(F)CC1 ZINC000602535107 347069356 /nfs/dbraw/zinc/06/93/56/347069356.db2.gz NCCBNCJMYNNKAN-SNVBAGLBSA-N 0 3 273.327 2.092 20 30 CEEDHN COc1ccc(CCNCc2cccc(C#N)n2)c(OC)c1 ZINC000602526470 347066739 /nfs/dbraw/zinc/06/67/39/347066739.db2.gz XCZQWJREXSIDDH-UHFFFAOYSA-N 0 3 297.358 2.303 20 30 CEEDHN CC[C@@H]1CCCCN1CCNCc1cccc(C#N)n1 ZINC000602546027 347071610 /nfs/dbraw/zinc/07/16/10/347071610.db2.gz BBDCFGQRQYMLOM-MRXNPFEDSA-N 0 3 272.396 2.307 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398151560 344854232 /nfs/dbraw/zinc/85/42/32/344854232.db2.gz GWCXAEAJTVDCHZ-BMFZPTHFSA-N 0 3 285.391 2.315 20 30 CEEDHN CCN(C(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1 ZINC000424062630 344896840 /nfs/dbraw/zinc/89/68/40/344896840.db2.gz HIDOHWYBEZRYFR-ZDUSSCGKSA-N 0 3 263.316 2.200 20 30 CEEDHN C[C@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)N1CCCC1 ZINC000521779353 344928367 /nfs/dbraw/zinc/92/83/67/344928367.db2.gz YARMYUORQJNVLA-CJNGLKHVSA-N 0 3 275.396 2.061 20 30 CEEDHN N#Cc1ccc(N2CCC(NCc3ccno3)CC2)cc1 ZINC000584781353 344986142 /nfs/dbraw/zinc/98/61/42/344986142.db2.gz LPTCWKYYTQDWMQ-UHFFFAOYSA-N 0 3 282.347 2.305 20 30 CEEDHN CN1CC[C@H](NCc2ccnc(C#N)c2)[C@H]1c1ccccc1 ZINC000589267239 345074470 /nfs/dbraw/zinc/07/44/70/345074470.db2.gz GTLGIJUURLONTD-ZWKOTPCHSA-N 0 3 292.386 2.488 20 30 CEEDHN CN(C)Cc1cccc(CNC(=O)CC2(C#N)CC2)c1 ZINC000590138378 345116904 /nfs/dbraw/zinc/11/69/04/345116904.db2.gz DVIMUKVVYTYZEL-UHFFFAOYSA-N 0 3 271.364 2.058 20 30 CEEDHN C[C@H](CNC(=O)CC1(C#N)CC1)N1CCCC[C@@H]1C ZINC000590153875 345117910 /nfs/dbraw/zinc/11/79/10/345117910.db2.gz OVUWYUGBCVLBEZ-QWHCGFSZSA-N 0 3 263.385 2.059 20 30 CEEDHN CN(C(=O)CCCCCC#N)[C@H]1CN2CCC1CC2 ZINC000589837254 345100892 /nfs/dbraw/zinc/10/08/92/345100892.db2.gz RIZDOMJESKKTLS-AWEZNQCLSA-N 0 3 263.385 2.013 20 30 CEEDHN CN(C)CCN(C(=O)CC1(C#N)CC1)C1CCCCC1 ZINC000590240213 345122625 /nfs/dbraw/zinc/12/26/25/345122625.db2.gz YUFVJSLPAFTVPA-UHFFFAOYSA-N 0 3 277.412 2.403 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCC1=CCCOC1 ZINC000589919942 345105195 /nfs/dbraw/zinc/10/51/95/345105195.db2.gz DERZMUZADUEUGJ-MRXNPFEDSA-N 0 3 284.359 2.222 20 30 CEEDHN CN1C[C@H]2[C@@H](CCN2Cc2ccc(C#N)cc2Cl)C1 ZINC000590010805 345110012 /nfs/dbraw/zinc/11/00/12/345110012.db2.gz WAYXTQZNPDKOFZ-ZFWWWQNUSA-N 0 3 275.783 2.348 20 30 CEEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccc(O)cc3)C2)nc1 ZINC000590053146 345111187 /nfs/dbraw/zinc/11/11/87/345111187.db2.gz MSSAZZDBMIYKSO-INIZCTEOSA-N 0 3 295.342 2.312 20 30 CEEDHN CCO[C@@H]1COC[C@H]1NCc1ccc(C(C)(C)C#N)cc1 ZINC000590763590 345176581 /nfs/dbraw/zinc/17/65/81/345176581.db2.gz JYIUFJDALYVONL-HZPDHXFCSA-N 0 3 288.391 2.381 20 30 CEEDHN CC[C@](C)(C#N)NC(=O)C1CN(C2CCCCC2)C1 ZINC000590904405 345197218 /nfs/dbraw/zinc/19/72/18/345197218.db2.gz XROOGGLEBPOYOG-OAHLLOKOSA-N 0 3 263.385 2.059 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](C2CCC2)C1 ZINC000591062086 345215432 /nfs/dbraw/zinc/21/54/32/345215432.db2.gz VBGVWCDFHPHRPJ-DZGCQCFKSA-N 0 3 277.412 2.117 20 30 CEEDHN C=CCN1CCC(NC(=O)COc2ccccc2C)CC1 ZINC000592070413 345318584 /nfs/dbraw/zinc/31/85/84/345318584.db2.gz NIWJAPLYHFHMMT-UHFFFAOYSA-N 0 3 288.391 2.140 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC(C2CCCC2)CC1 ZINC000591621070 345270057 /nfs/dbraw/zinc/27/00/57/345270057.db2.gz LQBNEOYHJVJZIP-OAHLLOKOSA-N 0 3 277.412 2.436 20 30 CEEDHN N#CCC1(CNC[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000591764387 345278422 /nfs/dbraw/zinc/27/84/22/345278422.db2.gz HMRJKOITMQVAND-CYBMUJFWSA-N 0 3 294.782 2.363 20 30 CEEDHN C=CCSCCNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000591936859 345303400 /nfs/dbraw/zinc/30/34/00/345303400.db2.gz OVAZQTUWHOLZHS-CYBMUJFWSA-N 0 3 285.457 2.031 20 30 CEEDHN CC(C)(C)N1CC[C@H](N[C@H]2CCC[C@@H](C#N)C2)C1=O ZINC000592391619 345348596 /nfs/dbraw/zinc/34/85/96/345348596.db2.gz MQINZMVKMJVBLI-AGIUHOORSA-N 0 3 263.385 2.058 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592499677 345360848 /nfs/dbraw/zinc/36/08/48/345360848.db2.gz ABXPQXVXSVCASD-VXGBXAGGSA-N 0 3 269.352 2.221 20 30 CEEDHN C[C@@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000592500563 345361067 /nfs/dbraw/zinc/36/10/67/345361067.db2.gz WTWCFHWBVSNEJP-GFCCVEGCSA-N 0 3 269.352 2.223 20 30 CEEDHN N#CC[C@]1(O)CCN(Cc2ccc(C3CC3)cc2)C1 ZINC000592526416 345367586 /nfs/dbraw/zinc/36/75/86/345367586.db2.gz YNOFNZFJBYIWRC-INIZCTEOSA-N 0 3 256.349 2.414 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C#N)CC)C(C)C ZINC000593464063 345491980 /nfs/dbraw/zinc/49/19/80/345491980.db2.gz ICCYOZYCHYKUED-HUUCEWRRSA-N 0 3 277.412 2.351 20 30 CEEDHN CCN(CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000057757714 362594358 /nfs/dbraw/zinc/59/43/58/362594358.db2.gz FHGLOUBCRAYVMH-CQSZACIVSA-N 0 3 255.321 2.109 20 30 CEEDHN CC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000057757692 362595428 /nfs/dbraw/zinc/59/54/28/362595428.db2.gz CKXUEYNKUWAIMI-INIZCTEOSA-N 0 3 281.359 2.499 20 30 CEEDHN CN(CCN1CCCCC1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000593516071 345501923 /nfs/dbraw/zinc/50/19/23/345501923.db2.gz LQOBVGZMWDMLMS-UHFFFAOYSA-N 0 3 288.351 2.389 20 30 CEEDHN CCC(C#N)C(=O)N(CC(=O)OC(C)(C)C)C(C)C ZINC000593570323 345507822 /nfs/dbraw/zinc/50/78/22/345507822.db2.gz CKCDJEFTPSAURK-NSHDSACASA-N 0 3 268.357 2.115 20 30 CEEDHN CCN(CCNC(=O)N1Cc2cccc(C#N)c2C1)C1CC1 ZINC000593338852 345468430 /nfs/dbraw/zinc/46/84/30/345468430.db2.gz QLRDJKSTCONDPP-UHFFFAOYSA-N 0 3 298.390 2.068 20 30 CEEDHN CC[C@@H](C#N)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000593390940 345475764 /nfs/dbraw/zinc/47/57/64/345475764.db2.gz HYPAQSUDXRACPG-HOCLYGCPSA-N 0 3 285.391 2.489 20 30 CEEDHN CC[C@H](C#N)C(=O)N(CCN(C)C)c1ccccc1 ZINC000593439527 345486704 /nfs/dbraw/zinc/48/67/04/345486704.db2.gz IHPNIIFMDIDHQX-CYBMUJFWSA-N 0 3 259.353 2.131 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](CO)CCF ZINC000593718667 345526681 /nfs/dbraw/zinc/52/66/81/345526681.db2.gz OEBFYPXXDASGEU-UKRRQHHQSA-N 0 3 262.328 2.246 20 30 CEEDHN CCN1C[C@@H](CN[C@H](C)c2ccc(C#N)cc2F)CC1=O ZINC000593720253 345527365 /nfs/dbraw/zinc/52/73/65/345527365.db2.gz AHXLXDZBGOMSFN-DGCLKSJQSA-N 0 3 289.354 2.216 20 30 CEEDHN CC(C#N)C(=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593786251 345538125 /nfs/dbraw/zinc/53/81/25/345538125.db2.gz JSSBTUYHBGFXMD-ZETCQYMHSA-N 0 3 264.222 2.039 20 30 CEEDHN CCC(C#N)=C([O-])N=c1cc(C2C(C)(C)C2(C)C)[nH][nH]1 ZINC000593898886 345550014 /nfs/dbraw/zinc/55/00/14/345550014.db2.gz QDFYMBWNUHBGTA-SECBINFHSA-N 0 3 274.368 2.469 20 30 CEEDHN CCC(C#N)C(=O)N=c1cc(C2C(C)(C)C2(C)C)[nH][nH]1 ZINC000593898886 345550017 /nfs/dbraw/zinc/55/00/17/345550017.db2.gz QDFYMBWNUHBGTA-SECBINFHSA-N 0 3 274.368 2.469 20 30 CEEDHN CCOC(=O)CCN(Cc1ccc(C#N)cn1)CC1CC1 ZINC000593953072 345555132 /nfs/dbraw/zinc/55/51/32/345555132.db2.gz XBDWXCRPVRIBRG-UHFFFAOYSA-N 0 3 287.363 2.118 20 30 CEEDHN CC(C)OC[C@@H](O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032070 345569935 /nfs/dbraw/zinc/56/99/35/345569935.db2.gz CHISPCOWAFDWRW-INIZCTEOSA-N 0 3 288.391 2.313 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC(C)(C)CN(C)C ZINC000594040438 345571545 /nfs/dbraw/zinc/57/15/45/345571545.db2.gz FZIBZQWXUMIZDV-ZDUSSCGKSA-N 0 3 287.407 2.193 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](C(=O)OC)c1ccc(F)c(C)c1 ZINC000593613856 345513146 /nfs/dbraw/zinc/51/31/46/345513146.db2.gz VIQZJAKCPQQVIP-GXFFZTMASA-N 0 3 292.310 2.014 20 30 CEEDHN Cc1cc(C#N)cnc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594195296 345597010 /nfs/dbraw/zinc/59/70/10/345597010.db2.gz DZWQAXNVDUXLBU-GJZGRUSLSA-N 0 3 298.390 2.008 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594215439 345599019 /nfs/dbraw/zinc/59/90/19/345599019.db2.gz LMJJTEXHTJJXEY-RHSMWYFYSA-N 0 3 299.418 2.337 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)CCCCC#N ZINC000594234149 345601588 /nfs/dbraw/zinc/60/15/88/345601588.db2.gz IDPXZJFLBWADDH-ZDUSSCGKSA-N 0 3 251.374 2.061 20 30 CEEDHN C[C@@H]1CN(CCCCNC(=O)CCCCC#N)C[C@H](C)O1 ZINC000594317190 345612104 /nfs/dbraw/zinc/61/21/04/345612104.db2.gz YOOLWIVXXIBWQM-GASCZTMLSA-N 0 3 295.427 2.076 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC1(N(C)C)CCC1 ZINC000594346304 345614504 /nfs/dbraw/zinc/61/45/04/345614504.db2.gz YNVOMAJBFICOBT-CQSZACIVSA-N 0 3 299.418 2.337 20 30 CEEDHN CN1CCC[C@@]2(CCN(C(=O)CCCCC#N)C2)C1 ZINC000594367532 345617612 /nfs/dbraw/zinc/61/76/12/345617612.db2.gz PGHBBTMMDLWUBW-OAHLLOKOSA-N 0 3 263.385 2.015 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(F)cc1F ZINC000594424338 345625134 /nfs/dbraw/zinc/62/51/34/345625134.db2.gz AXINKVPXSCSTPH-LLVKDONJSA-N 0 3 267.279 2.315 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594427006 345626416 /nfs/dbraw/zinc/62/64/16/345626416.db2.gz SDFPIYRPAPJFAC-UPJWGTAASA-N 0 3 251.374 2.093 20 30 CEEDHN C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594427302 345626558 /nfs/dbraw/zinc/62/65/58/345626558.db2.gz IFCFAHBUDRIMLR-RDBSUJKOSA-N 0 3 265.401 2.435 20 30 CEEDHN CCN(C(=O)[C@H](N)CCCCC#N)C1CCCC1 ZINC000594429392 345627994 /nfs/dbraw/zinc/62/79/94/345627994.db2.gz SWLPKTHBOMTKAG-CYBMUJFWSA-N 0 3 251.374 2.189 20 30 CEEDHN C[C@H](N(C)C(=O)[C@@H](N)CCCCC#N)C(C)(C)C ZINC000594430009 345628118 /nfs/dbraw/zinc/62/81/18/345628118.db2.gz ZAXGSHIDOQVOEK-RYUDHWBXSA-N 0 3 253.390 2.291 20 30 CEEDHN C[C@]1(c2ccccc2)C[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594433043 345629211 /nfs/dbraw/zinc/62/92/11/345629211.db2.gz JXZVWOFFEMYZFQ-HLLBOEOZSA-N 0 3 285.391 2.244 20 30 CEEDHN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594433875 345629390 /nfs/dbraw/zinc/62/93/90/345629390.db2.gz IOALBAOJZARAAE-DAXOMENPSA-N 0 3 285.391 2.447 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1Cc2cc(F)c(F)cc2C1 ZINC000594452518 345634986 /nfs/dbraw/zinc/63/49/86/345634986.db2.gz NZSBEBOMFVOJNE-CQSZACIVSA-N 0 3 293.317 2.218 20 30 CEEDHN CC(C)N(CC1CCC1)C(=O)[C@H](N)CCCCC#N ZINC000594455743 345635506 /nfs/dbraw/zinc/63/55/06/345635506.db2.gz CIRQJHAJRITLDV-CQSZACIVSA-N 0 3 265.401 2.435 20 30 CEEDHN N#Cc1cccc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)n1 ZINC000594130889 345589327 /nfs/dbraw/zinc/58/93/27/345589327.db2.gz LWDYUOVWRFPMSD-KBPBESRZSA-N 0 3 299.378 2.092 20 30 CEEDHN N#Cc1ccc(-n2cc(CNC3CCCC3)nn2)cc1 ZINC000594652602 345667132 /nfs/dbraw/zinc/66/71/32/345667132.db2.gz UJTVNAVUMMXYNP-UHFFFAOYSA-N 0 3 267.336 2.171 20 30 CEEDHN N#CC[C@@H]1CC[C@H](NCc2cc3n(n2)CCCC3)C1 ZINC000594508679 345640059 /nfs/dbraw/zinc/64/00/59/345640059.db2.gz ULGPHSNPKLYBMB-STQMWFEESA-N 0 3 258.369 2.391 20 30 CEEDHN N#Cc1ncccc1N[C@H]1CCCN2CCCC[C@H]12 ZINC000594596712 345655237 /nfs/dbraw/zinc/65/52/37/345655237.db2.gz BJMWJXPEVSUIOG-DZGCQCFKSA-N 0 3 256.353 2.382 20 30 CEEDHN CNCc1cccc(NC(=O)N2CC[C@](C)(C#N)C2)c1 ZINC000595237115 345746564 /nfs/dbraw/zinc/74/65/64/345746564.db2.gz XGYGHMYDKIKEQK-OAHLLOKOSA-N 0 3 272.352 2.173 20 30 CEEDHN Cc1cc(F)ccc1C[C@@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000595256100 345749789 /nfs/dbraw/zinc/74/97/89/345749789.db2.gz LKYGCVVRXPEZOA-DOMZBBRYSA-N 0 3 291.370 2.203 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NC1CCC2(CC2(F)F)CC1 ZINC000595258001 345750141 /nfs/dbraw/zinc/75/01/41/345750141.db2.gz HGZDKSRMJWBEAT-AKJDGMEZSA-N 0 3 285.338 2.092 20 30 CEEDHN CCCNC(=O)C1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595286233 345753946 /nfs/dbraw/zinc/75/39/46/345753946.db2.gz AGNQJVNGVZAWNN-UHFFFAOYSA-N 0 3 299.418 2.339 20 30 CEEDHN COCCOC[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594929587 345706313 /nfs/dbraw/zinc/70/63/13/345706313.db2.gz KRIRIXWSLUIHNF-CQSZACIVSA-N 0 3 288.391 2.383 20 30 CEEDHN CC[C@@H]1C[C@@H](NCc2ccc(C#N)c(OC)c2)CO1 ZINC000594940424 345710822 /nfs/dbraw/zinc/71/08/22/345710822.db2.gz CCEMLHQMTSNOFQ-ZIAGYGMSSA-N 0 3 260.337 2.224 20 30 CEEDHN C[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000594963406 345717995 /nfs/dbraw/zinc/71/79/95/345717995.db2.gz VBUCGKZMDRXTTA-JZKQVHKSSA-N 0 3 294.395 2.477 20 30 CEEDHN N#Cc1ccc(CNCCO[C@@H]2CC2(F)F)cc1F ZINC000594971685 345720391 /nfs/dbraw/zinc/72/03/91/345720391.db2.gz OUPZYDPJGGRDBD-GFCCVEGCSA-N 0 3 270.254 2.211 20 30 CEEDHN C[C@@H](c1ccccc1)[C@@H](O)CNCc1ccc(C#N)o1 ZINC000595001656 345724050 /nfs/dbraw/zinc/72/40/50/345724050.db2.gz UWURAODIFFMDBI-LRDDRELGSA-N 0 3 270.332 2.405 20 30 CEEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595029522 345730962 /nfs/dbraw/zinc/73/09/62/345730962.db2.gz YYXOEUGWSHKBTM-NEPJUHHUSA-N 0 3 294.351 2.439 20 30 CEEDHN N#Cc1ccc(CCN[C@H]2CCn3ccnc32)cc1 ZINC000595056084 345735918 /nfs/dbraw/zinc/73/59/18/345735918.db2.gz QJZXFZNZDBZJRI-AWEZNQCLSA-N 0 3 252.321 2.032 20 30 CEEDHN COC[C@H](CCN[C@@H](C)c1ccc(C#N)cc1F)OC ZINC000595059954 345736543 /nfs/dbraw/zinc/73/65/43/345736543.db2.gz JGHCPRYSAYDWFE-AAEUAGOBSA-N 0 3 280.343 2.399 20 30 CEEDHN COC[C@H](CCN[C@H](C)c1ccc(C#N)cc1F)OC ZINC000595059957 345736788 /nfs/dbraw/zinc/73/67/88/345736788.db2.gz JGHCPRYSAYDWFE-YPMHNXCESA-N 0 3 280.343 2.399 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)NCC2(C#N)CCCCC2)CCN1C ZINC000595551704 345810850 /nfs/dbraw/zinc/81/08/50/345810850.db2.gz KEAWLEMOPSEETA-UONOGXRCSA-N 0 3 292.427 2.242 20 30 CEEDHN CN(C)C1(CNC(=O)NCC2(C#N)CCCCC2)CCC1 ZINC000595591598 345819821 /nfs/dbraw/zinc/81/98/21/345819821.db2.gz WULZQSRZWPSVED-UHFFFAOYSA-N 0 3 292.427 2.244 20 30 CEEDHN CCn1cc(CN(C)CCc2ccc(C#N)cc2)cn1 ZINC000595323279 345762117 /nfs/dbraw/zinc/76/21/17/345762117.db2.gz MAAJELHEEIIBEV-UHFFFAOYSA-N 0 3 268.364 2.449 20 30 CEEDHN N#Cc1ccc(CCN2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000595352866 345767124 /nfs/dbraw/zinc/76/71/24/345767124.db2.gz PTQRNNAXSVYSDU-JKSUJKDBSA-N 0 3 288.416 2.307 20 30 CEEDHN C=CCCSCCNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000595456356 345787647 /nfs/dbraw/zinc/78/76/47/345787647.db2.gz VKELIPOOFUELCE-CQSZACIVSA-N 0 3 299.484 2.327 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](Cn2ccnn2)C1 ZINC000595604819 345824064 /nfs/dbraw/zinc/82/40/64/345824064.db2.gz DLXDDWZMLJJQJQ-DZGCQCFKSA-N 0 3 281.363 2.233 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000595662296 345841588 /nfs/dbraw/zinc/84/15/88/345841588.db2.gz HNAGTTHHTSQTKO-CZUORRHYSA-N 0 3 292.427 2.194 20 30 CEEDHN C=CCCSCCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000595663291 345842332 /nfs/dbraw/zinc/84/23/32/345842332.db2.gz LITCOAHOIZHWHU-CYBMUJFWSA-N 0 3 299.484 2.468 20 30 CEEDHN COc1ccc(CN2C[C@H](C)C(O)[C@@H](C)C2)cc1C#N ZINC000595743773 345863918 /nfs/dbraw/zinc/86/39/18/345863918.db2.gz QSXNZPBILXBSAU-RYUDHWBXSA-N 0 3 274.364 2.016 20 30 CEEDHN C=CC[C@@H]1CCCN([C@H](C(=O)OC)C2(OC)CCC2)C1 ZINC000595658388 345840131 /nfs/dbraw/zinc/84/01/31/345840131.db2.gz IDVQCXKTIRCKGU-ZIAGYGMSSA-N 0 3 281.396 2.385 20 30 CEEDHN CC(C)CC1(NCC(=O)NCc2cccc(C#N)c2)CC1 ZINC000595830977 345889230 /nfs/dbraw/zinc/88/92/30/345889230.db2.gz ISIICLCNLIQCAD-UHFFFAOYSA-N 0 3 285.391 2.343 20 30 CEEDHN CC1CCC(O)(CNCc2cnc3ccc(C#N)cn23)CC1 ZINC000596058296 345930318 /nfs/dbraw/zinc/93/03/18/345930318.db2.gz IJPKSICVPJYVOU-UHFFFAOYSA-N 0 3 298.390 2.237 20 30 CEEDHN N#Cc1cc(N[C@H]2CCN(C3CC3)C2)c2ccccc2n1 ZINC000596087674 345936617 /nfs/dbraw/zinc/93/66/17/345936617.db2.gz JYMAYILRLAAHBS-LBPRGKRZSA-N 0 3 278.359 2.177 20 30 CEEDHN C[N@H+](CCCCN=c1[n-]c(C#N)c(Cl)s1)C1CC1 ZINC000596261032 345984062 /nfs/dbraw/zinc/98/40/62/345984062.db2.gz PCYTVFGJPGERMC-UHFFFAOYSA-N 0 3 284.816 2.376 20 30 CEEDHN C[N@@H+](CCCCN=c1[n-]c(C#N)c(Cl)s1)C1CC1 ZINC000596261032 345984064 /nfs/dbraw/zinc/98/40/64/345984064.db2.gz PCYTVFGJPGERMC-UHFFFAOYSA-N 0 3 284.816 2.376 20 30 CEEDHN C[C@H](CC#N)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000596626221 346067498 /nfs/dbraw/zinc/06/74/98/346067498.db2.gz ITFACHQTQQBQIM-CQSZACIVSA-N 0 3 285.391 2.317 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000596730145 346081850 /nfs/dbraw/zinc/08/18/50/346081850.db2.gz SUOUSKDAJABVOE-ZBFHGGJFSA-N 0 3 285.391 2.489 20 30 CEEDHN C[C@H](CC#N)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000596751858 346084413 /nfs/dbraw/zinc/08/44/13/346084413.db2.gz DXSBXNUDGDWUBU-CQSZACIVSA-N 0 3 299.418 2.489 20 30 CEEDHN CC[C@@H](CNC(=O)[C@@H](C)CC#N)N1CCc2ccccc2C1 ZINC000596779248 346089444 /nfs/dbraw/zinc/08/94/44/346089444.db2.gz VEDZDDODCKPTNU-YOEHRIQHSA-N 0 3 299.418 2.489 20 30 CEEDHN C[C@@H](CC#N)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000596793549 346090861 /nfs/dbraw/zinc/09/08/61/346090861.db2.gz IMXMCYGOQLKQRT-ZDUSSCGKSA-N 0 3 295.452 2.014 20 30 CEEDHN N#CC1(c2ccc(CN(CC(N)=O)C3CCCC3)cc2)CC1 ZINC000596980259 346111901 /nfs/dbraw/zinc/11/19/01/346111901.db2.gz YDVSNXBHVCOKCZ-UHFFFAOYSA-N 0 3 297.402 2.472 20 30 CEEDHN CCN1CCC(n2nccc2NC(=O)[C@H](C)CC#N)CC1 ZINC000597095497 346127969 /nfs/dbraw/zinc/12/79/69/346127969.db2.gz XLUSKOKQHXPKOO-GFCCVEGCSA-N 0 3 289.383 2.028 20 30 CEEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@@H](O)C1CC1 ZINC000597126930 346131512 /nfs/dbraw/zinc/13/15/12/346131512.db2.gz DLTDJANWFHSGBJ-MRXNPFEDSA-N 0 3 270.376 2.444 20 30 CEEDHN COC(=O)[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597153509 346136622 /nfs/dbraw/zinc/13/66/22/346136622.db2.gz DUGNJRMLNILJAW-CZUORRHYSA-N 0 3 298.386 2.483 20 30 CEEDHN CN(C(=O)CC1(C#N)CCCCC1)[C@H]1CN2CCC1CC2 ZINC000597207563 346148933 /nfs/dbraw/zinc/14/89/33/346148933.db2.gz DXQKJLMKVWNXSV-HNNXBMFYSA-N 0 3 289.423 2.403 20 30 CEEDHN C[C@@H](CC#N)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000597245079 346160624 /nfs/dbraw/zinc/16/06/24/346160624.db2.gz FRDJOCUWZSFCBT-GOEBONIOSA-N 0 3 285.391 2.317 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000597524509 346198588 /nfs/dbraw/zinc/19/85/88/346198588.db2.gz ZCZACSWXTRRMJI-VNHYZAJKSA-N 0 3 273.380 2.344 20 30 CEEDHN CN1CC[C@]2(CCN(C(=O)CC3(C#N)CCCCC3)C2)C1 ZINC000597686844 346215311 /nfs/dbraw/zinc/21/53/11/346215311.db2.gz MBWCQONLXRVTIY-KRWDZBQOSA-N 0 3 289.423 2.405 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cccc(F)c1C#N ZINC000597859072 346239267 /nfs/dbraw/zinc/23/92/67/346239267.db2.gz RLLBEWWQDOLOFQ-LLVKDONJSA-N 0 3 289.354 2.300 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cscc1C#N ZINC000597859921 346240532 /nfs/dbraw/zinc/24/05/32/346240532.db2.gz IBGSMMXKAZKELM-LLVKDONJSA-N 0 3 277.393 2.222 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H](CC#N)C1 ZINC000597910004 346251132 /nfs/dbraw/zinc/25/11/32/346251132.db2.gz SZMBJARRAGKGOS-HZSPNIEDSA-N 0 3 263.385 2.011 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)N1CCC[C@H](CC#N)C1 ZINC000597911676 346251431 /nfs/dbraw/zinc/25/14/31/346251431.db2.gz OKEXRXWIJZYCKI-ZIAGYGMSSA-N 0 3 263.385 2.013 20 30 CEEDHN CCN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CCN(C)C1 ZINC000597947442 346256011 /nfs/dbraw/zinc/25/60/11/346256011.db2.gz YHLPZSLQRKZHCR-MRXNPFEDSA-N 0 3 285.391 2.043 20 30 CEEDHN CCN(C(=O)c1cccc(C#N)c1)[C@H]1CCN(CC)C1 ZINC000598041903 346274318 /nfs/dbraw/zinc/27/43/18/346274318.db2.gz OPGPFFGPZWFKHT-HNNXBMFYSA-N 0 3 271.364 2.115 20 30 CEEDHN C[C@H](C#N)N(C(=O)[C@@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000598135033 346297121 /nfs/dbraw/zinc/29/71/21/346297121.db2.gz NPBJHZAOOHSSTN-GDBMZVCRSA-N 0 3 297.402 2.412 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1C[C@H](O)C12CCC2 ZINC000598304858 346322575 /nfs/dbraw/zinc/32/25/75/346322575.db2.gz JLHAPTXKIUNWNI-XHSDSOJGSA-N 0 3 298.386 2.179 20 30 CEEDHN C[C@@H]1CN(CCOc2cccc(C#N)c2)CCCO1 ZINC000061918380 362698656 /nfs/dbraw/zinc/69/86/56/362698656.db2.gz ZOQPRWMDNFSNLT-CYBMUJFWSA-N 0 3 260.337 2.048 20 30 CEEDHN CN(CCCn1ccnc1)Cc1cccc(C#N)c1 ZINC000061948158 362700108 /nfs/dbraw/zinc/70/01/08/362700108.db2.gz XSJCTWBCJBMANM-UHFFFAOYSA-N 0 3 254.337 2.277 20 30 CEEDHN CCN(C(=O)[C@@H]1CCN(Cc2ccccc2)C1)[C@@H](C)C#N ZINC000598362567 346339625 /nfs/dbraw/zinc/33/96/25/346339625.db2.gz GQRSGHBWOUDOBI-GOEBONIOSA-N 0 3 285.391 2.269 20 30 CEEDHN COc1ccc2c(c1)CN(C[C@H](O)CC(C)(C)C#N)CC2 ZINC000598587911 346378524 /nfs/dbraw/zinc/37/85/24/346378524.db2.gz VTHKARMDTVJDJF-OAHLLOKOSA-N 0 3 288.391 2.354 20 30 CEEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1cncc(F)c1 ZINC000598604006 346382871 /nfs/dbraw/zinc/38/28/71/346382871.db2.gz NMKPENROPUZFJD-GXFFZTMASA-N 0 3 265.332 2.172 20 30 CEEDHN C[C@@H](CN(C)C[C@H](O)CC(C)(C)C#N)c1nccs1 ZINC000598612664 346384155 /nfs/dbraw/zinc/38/41/55/346384155.db2.gz QXHCAVZKUFLXTG-NWDGAFQWSA-N 0 3 281.425 2.479 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@H](Oc2ccccc2)C1 ZINC000598624413 346386828 /nfs/dbraw/zinc/38/68/28/346386828.db2.gz GYYPRNQIBJETMF-ZBFHGGJFSA-N 0 3 288.391 2.440 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCOC(C2CC2)(C2CC2)C1 ZINC000598627920 346387610 /nfs/dbraw/zinc/38/76/10/346387610.db2.gz JIBQHCXNMMMQGG-HNNXBMFYSA-N 0 3 292.423 2.178 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(F)cc1 ZINC000598705026 346404322 /nfs/dbraw/zinc/40/43/22/346404322.db2.gz WWSNDHIZPIUSFL-CYBMUJFWSA-N 0 3 250.317 2.216 20 30 CEEDHN Cc1ccc2nc(CNC[C@H](O)CC(C)(C)C#N)cn2c1 ZINC000598720711 346408067 /nfs/dbraw/zinc/40/80/67/346408067.db2.gz PZXXQONFTRCQHD-CQSZACIVSA-N 0 3 286.379 2.033 20 30 CEEDHN N#Cc1ccsc1C(=O)NCCN1CCCCCC1 ZINC000128939141 365812125 /nfs/dbraw/zinc/81/21/25/365812125.db2.gz HMILOCPSFLVGPD-UHFFFAOYSA-N 0 3 277.393 2.226 20 30 CEEDHN Cc1ccc(CN2CCC[C@@H](CO)[C@@H]2C)cc1C#N ZINC000599437257 346520476 /nfs/dbraw/zinc/52/04/76/346520476.db2.gz QMUCUROCRVHTDG-ZFWWWQNUSA-N 0 3 258.365 2.460 20 30 CEEDHN N#CCc1cccc2c1CCN([C@H]1CCCOC1)C2 ZINC000599677541 346562061 /nfs/dbraw/zinc/56/20/61/346562061.db2.gz LGJOWSWCXXQWSW-HNNXBMFYSA-N 0 3 256.349 2.290 20 30 CEEDHN C=CCC1(NCc2cnc(C(=O)OC)cn2)CCCC1 ZINC000599468820 346524697 /nfs/dbraw/zinc/52/46/97/346524697.db2.gz QEDBZRJVPDVGES-UHFFFAOYSA-N 0 3 275.352 2.242 20 30 CEEDHN Cc1ccc(CN[C@@H]2C[C@H](O)C23CCC3)cc1C#N ZINC000599466524 346525196 /nfs/dbraw/zinc/52/51/96/346525196.db2.gz BOKBXNSXKRSCEL-CABCVRRESA-N 0 3 256.349 2.260 20 30 CEEDHN C=CC[C@H]1CCCC[C@H]1NCc1cnc(C(=O)OC)cn1 ZINC000599470613 346526003 /nfs/dbraw/zinc/52/60/03/346526003.db2.gz UKVZLGAPUZDLPI-GXTWGEPZSA-N 0 3 289.379 2.488 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCCC(F)(F)CC1 ZINC000599552489 346536350 /nfs/dbraw/zinc/53/63/50/346536350.db2.gz GZDQITUANPTBHP-LLVKDONJSA-N 0 3 260.328 2.408 20 30 CEEDHN CCN(C(=O)Cc1ccc(C#N)cc1)C1CCN(C)CC1 ZINC000599986112 346589433 /nfs/dbraw/zinc/58/94/33/346589433.db2.gz OHAGDUGIEDNALJ-UHFFFAOYSA-N 0 3 285.391 2.043 20 30 CEEDHN Cc1nc(C)c(CNCCc2ccc(C#N)cc2)o1 ZINC000600179349 346616394 /nfs/dbraw/zinc/61/63/94/346616394.db2.gz SVLDIICVRIXSLQ-UHFFFAOYSA-N 0 3 255.321 2.495 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000600220200 346626241 /nfs/dbraw/zinc/62/62/41/346626241.db2.gz OIJYDVNADOIDLA-KFWWJZLASA-N 0 3 254.333 2.237 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@H]2COc3ccc(Cl)cc32)CC1 ZINC000600731288 346680261 /nfs/dbraw/zinc/68/02/61/346680261.db2.gz QPVXACKETMFGOZ-AAEUAGOBSA-N 0 3 292.766 2.418 20 30 CEEDHN CCN(Cc1ccoc1)C(=O)[C@H](N)CCCCC#N ZINC000600757212 346685182 /nfs/dbraw/zinc/68/51/82/346685182.db2.gz QRZDGAXYBSFPHV-CYBMUJFWSA-N 0 3 263.341 2.039 20 30 CEEDHN N#Cc1ccc(-c2ccc(N3CCNCC3)cc2)c(CO)c1 ZINC000600779504 346688551 /nfs/dbraw/zinc/68/85/51/346688551.db2.gz BBXCLVCGGOLELE-UHFFFAOYSA-N 0 3 293.370 2.127 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ncc(C#N)c2ccsc21 ZINC000601129654 346763188 /nfs/dbraw/zinc/76/31/88/346763188.db2.gz VQIGTYLLGJYGMR-YGRLFVJLSA-N 0 3 298.415 2.484 20 30 CEEDHN CN(C)C1(CNc2ncc(C#N)c3ccsc32)CC1 ZINC000601174425 346777761 /nfs/dbraw/zinc/77/77/61/346777761.db2.gz CBEUZKVTOJRZSB-UHFFFAOYSA-N 0 3 272.377 2.096 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccccc2CC#N)CC1 ZINC000601040423 346737864 /nfs/dbraw/zinc/73/78/64/346737864.db2.gz NAYMEKDKOBJJOU-UHFFFAOYSA-N 0 3 283.375 2.133 20 30 CEEDHN Cc1ccc(CN2CC[C@H](Nc3cncc(C#N)n3)C2)cc1 ZINC000601251259 346802675 /nfs/dbraw/zinc/80/26/75/346802675.db2.gz YTPBYMSKFMYVSI-HNNXBMFYSA-N 0 3 293.374 2.343 20 30 CEEDHN C[C@H](CC1(C#N)CCOCC1)NCC1(CC#N)CC1 ZINC000602642776 347119916 /nfs/dbraw/zinc/11/99/16/347119916.db2.gz NEYIUEUIMDXXLN-CYBMUJFWSA-N 0 3 261.369 2.369 20 30 CEEDHN N#Cc1cccc(CNC[C@H]2CCC(F)(F)C2)n1 ZINC000602643995 347120251 /nfs/dbraw/zinc/12/02/51/347120251.db2.gz UGSRFRLJLJSUOB-JTQLQIEISA-N 0 3 251.280 2.478 20 30 CEEDHN C=CC(C)(C)CNCc1cc(C(=O)OCC)no1 ZINC000602675340 347136852 /nfs/dbraw/zinc/13/68/52/347136852.db2.gz MXJIXBQPVXDCDV-UHFFFAOYSA-N 0 3 252.314 2.153 20 30 CEEDHN C[C@H](CCC#N)CN1CCCC[C@H]1CCS(C)(=O)=O ZINC000602674756 347137212 /nfs/dbraw/zinc/13/72/12/347137212.db2.gz YTLJMBFIDYIDDZ-KGLIPLIRSA-N 0 3 286.441 2.215 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)n1 ZINC000602676491 347137941 /nfs/dbraw/zinc/13/79/41/347137941.db2.gz QUKNTVUIDGRVGN-OAGGEKHMSA-N 0 3 271.364 2.079 20 30 CEEDHN C[C@H](CCC#N)CN[C@H](c1nccn1C)C(C)(C)CO ZINC000602678514 347140081 /nfs/dbraw/zinc/14/00/81/347140081.db2.gz DQGKMQUDXJUUMB-CHWSQXEVSA-N 0 3 278.400 2.009 20 30 CEEDHN CC1(C)C[C@@H](CNCc2cccc(C#N)n2)CCO1 ZINC000602689735 347149396 /nfs/dbraw/zinc/14/93/96/347149396.db2.gz YIWDJPQWMSBTLV-LBPRGKRZSA-N 0 3 259.353 2.248 20 30 CEEDHN C[C@H](CCC#N)CN[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000602716725 347167703 /nfs/dbraw/zinc/16/77/03/347167703.db2.gz XZXCVCDXJHGVMS-IUODEOHRSA-N 0 3 292.404 2.186 20 30 CEEDHN CC(C)(C)[C@H]1CCN(CC2(CC#N)CC2)C[C@H]1O ZINC000602802237 347204748 /nfs/dbraw/zinc/20/47/48/347204748.db2.gz PGHFGALMZVVOEP-QWHCGFSZSA-N 0 3 250.386 2.409 20 30 CEEDHN CC(C)N(C)C(=O)C1CCN(CC2(CC#N)CC2)CC1 ZINC000602761260 347187603 /nfs/dbraw/zinc/18/76/03/347187603.db2.gz AYOCERFADPUMII-UHFFFAOYSA-N 0 3 277.412 2.259 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H](n3ccnn3)CC2)cc1 ZINC000602887591 347239363 /nfs/dbraw/zinc/23/93/63/347239363.db2.gz HZRMSSKTHAJSPL-INIZCTEOSA-N 0 3 281.363 2.377 20 30 CEEDHN N#Cc1ccc(C2CCN([C@H]3CCCOC3)CC2)nc1 ZINC000602906413 347243792 /nfs/dbraw/zinc/24/37/92/347243792.db2.gz HVWWSTSIOUHBKK-HNNXBMFYSA-N 0 3 271.364 2.312 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908309 347244198 /nfs/dbraw/zinc/24/41/98/347244198.db2.gz CLVKJZCKTANNFW-MRXNPFEDSA-N 0 3 285.391 2.460 20 30 CEEDHN COCc1cc(C#N)ccc1NCC1=CCN(C)CC1 ZINC000603331084 347340309 /nfs/dbraw/zinc/34/03/09/347340309.db2.gz QYGKAMAOWHNKGP-UHFFFAOYSA-N 0 3 271.364 2.378 20 30 CEEDHN N#Cc1cc(Cn2cc(CNC3CCCC3)nn2)ccc1F ZINC000603198866 347306168 /nfs/dbraw/zinc/30/61/68/347306168.db2.gz HBQCAXWVDHSXLU-UHFFFAOYSA-N 0 3 299.353 2.369 20 30 CEEDHN CCC[C@@H](N)c1cn(Cc2ccc(C)c(C#N)c2)nn1 ZINC000603224273 347313889 /nfs/dbraw/zinc/31/38/89/347313889.db2.gz QMAYAOOMCIBHAL-CQSZACIVSA-N 0 3 269.352 2.306 20 30 CEEDHN CCC[C@H](N)c1cn(Cc2ccc(CC#N)cc2)nn1 ZINC000603222827 347314214 /nfs/dbraw/zinc/31/42/14/347314214.db2.gz OKIXTDYMVSYSPK-AWEZNQCLSA-N 0 3 269.352 2.192 20 30 CEEDHN N#Cc1cccc(Cn2cc(CNC3CCCC3)nn2)c1F ZINC000603236058 347318624 /nfs/dbraw/zinc/31/86/24/347318624.db2.gz MIUORQJAQGPXQJ-UHFFFAOYSA-N 0 3 299.353 2.369 20 30 CEEDHN C[C@H]1C[C@H](N2CCCC2)CN1Cc1nc(C#N)cs1 ZINC000356322089 370658247 /nfs/dbraw/zinc/65/82/47/370658247.db2.gz QPVLWMKKLSIKSR-AAEUAGOBSA-N 0 3 276.409 2.073 20 30 CEEDHN CN(CC(=O)N(CCC#N)Cc1ccco1)CC(C)(C)C ZINC000608886389 347623114 /nfs/dbraw/zinc/62/31/14/347623114.db2.gz HPKIBYCBPFKAHN-UHFFFAOYSA-N 0 3 291.395 2.500 20 30 CEEDHN C[C@@H]1C[C@H](C)CN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000610133333 347661986 /nfs/dbraw/zinc/66/19/86/347661986.db2.gz GCXFTSHLRBEKIL-UONOGXRCSA-N 0 3 277.412 2.402 20 30 CEEDHN N#CCN1CCC(NCc2cc(F)c(F)c(F)c2)CC1 ZINC000609334852 347635595 /nfs/dbraw/zinc/63/55/95/347635595.db2.gz JQAPJMWAHOXYIQ-UHFFFAOYSA-N 0 3 283.297 2.181 20 30 CEEDHN C[C@@](CO)(NCCOc1ccccc1C#N)c1ccccc1 ZINC000609483928 347640340 /nfs/dbraw/zinc/64/03/40/347640340.db2.gz SHOOQDWUOYBRGK-SFHVURJKSA-N 0 3 296.370 2.434 20 30 CEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CCN(C)C1 ZINC000609574016 347644093 /nfs/dbraw/zinc/64/40/93/347644093.db2.gz GKUHDXSPWNHBBR-CYBMUJFWSA-N 0 3 287.363 2.236 20 30 CEEDHN COC(=O)[C@@H]1CC12CCN(Cc1ccc(C#N)cc1)CC2 ZINC000609614453 347646433 /nfs/dbraw/zinc/64/64/33/347646433.db2.gz NUWRLRCBODUDSS-HNNXBMFYSA-N 0 3 284.359 2.333 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H](CC)SC)CC1 ZINC000129952911 365910741 /nfs/dbraw/zinc/91/07/41/365910741.db2.gz KIFIXXFYIAOGLL-ZDUSSCGKSA-N 0 3 270.442 2.285 20 30 CEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000610429999 347681362 /nfs/dbraw/zinc/68/13/62/347681362.db2.gz BMOTWXBRLDDBIS-GXSJLCMTSA-N 0 3 274.324 2.160 20 30 CEEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000610430000 347681458 /nfs/dbraw/zinc/68/14/58/347681458.db2.gz BMOTWXBRLDDBIS-KOLCDFICSA-N 0 3 274.324 2.160 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCN(CC3CC3)C2)s1 ZINC000610511407 347687257 /nfs/dbraw/zinc/68/72/57/347687257.db2.gz QBTWBTDTEWERAQ-GFCCVEGCSA-N 0 3 261.394 2.194 20 30 CEEDHN C[C@@H](Cn1cncn1)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611392430 347772678 /nfs/dbraw/zinc/77/26/78/347772678.db2.gz RBCLJHHOGVCHDT-LRDDRELGSA-N 0 3 281.363 2.205 20 30 CEEDHN Cc1ccc(C#N)nc1NCCN1CCC[C@@H](C)C1 ZINC000611399515 347774175 /nfs/dbraw/zinc/77/41/75/347774175.db2.gz VWECTPJIOUICGK-GFCCVEGCSA-N 0 3 258.369 2.406 20 30 CEEDHN C[C@@H](NCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000611438128 347779502 /nfs/dbraw/zinc/77/95/02/347779502.db2.gz PPPVQDWUJQTFTE-QLFBSQMISA-N 0 3 287.407 2.318 20 30 CEEDHN CC1=CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000611127304 347742472 /nfs/dbraw/zinc/74/24/72/347742472.db2.gz YHGGPHZLDLNBSX-INIZCTEOSA-N 0 3 286.375 2.144 20 30 CEEDHN COC1CCN(CCN[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000611438656 347780241 /nfs/dbraw/zinc/78/02/41/347780241.db2.gz VULUOPJAEHXKJE-AWEZNQCLSA-N 0 3 287.407 2.320 20 30 CEEDHN COCC1(N(C)CCOc2cccc(C#N)c2)CC1 ZINC000611178789 347748375 /nfs/dbraw/zinc/74/83/75/347748375.db2.gz NTYGSPZAGSZCGQ-UHFFFAOYSA-N 0 3 260.337 2.048 20 30 CEEDHN N#Cc1cccc(NC(=O)CCN2CC[C@H](C(F)F)C2)c1 ZINC000611179697 347748637 /nfs/dbraw/zinc/74/86/37/347748637.db2.gz HUNIFMAPUVNUSS-LBPRGKRZSA-N 0 3 293.317 2.474 20 30 CEEDHN CC(C)(C)CN(CCO)Cc1cnc2ccc(C#N)cn12 ZINC000611269593 347761049 /nfs/dbraw/zinc/76/10/49/347761049.db2.gz QFTATRIMNZLTSS-UHFFFAOYSA-N 0 3 286.379 2.046 20 30 CEEDHN CCO[C@@H]1COCC[C@@H]1N[C@H]1CCc2ccc(C#N)cc21 ZINC000568569665 299145658 /nfs/dbraw/zinc/14/56/58/299145658.db2.gz YPDQIQXXBLPOSH-YESZJQIVSA-N 0 3 286.375 2.329 20 30 CEEDHN N#C[C@H](c1ccccc1)N1CCN(C[C@@H]2CCCOC2)CC1 ZINC000336854472 365927758 /nfs/dbraw/zinc/92/77/58/365927758.db2.gz DZPRVMVPUPSTAE-FUHWJXTLSA-N 0 3 299.418 2.295 20 30 CEEDHN CN(C)CCOc1ccc(CNCC(C)(C)C#N)cc1 ZINC000612584875 347904568 /nfs/dbraw/zinc/90/45/68/347904568.db2.gz FZUHILJVXSHGAS-UHFFFAOYSA-N 0 3 275.396 2.266 20 30 CEEDHN C=CCNC(=O)CN1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000613415418 348042327 /nfs/dbraw/zinc/04/23/27/348042327.db2.gz FWDMKWUHZASFHX-IHRRRGAJSA-N 0 3 250.386 2.189 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2cnn(CC(F)(F)F)c2)C1 ZINC000613661019 348085899 /nfs/dbraw/zinc/08/58/99/348085899.db2.gz VHAXXOZAPHNXJH-MWLCHTKSSA-N 0 3 272.274 2.227 20 30 CEEDHN CCOC(=O)C1(CNCc2ccc(C#N)cc2F)CC1 ZINC000351932629 219252819 /nfs/dbraw/zinc/25/28/19/219252819.db2.gz VVJZGJJDCTVDRH-UHFFFAOYSA-N 0 3 276.311 2.130 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](N2CCCC2=O)C1 ZINC000614400663 348193947 /nfs/dbraw/zinc/19/39/47/348193947.db2.gz BQAXRDFTSPASMZ-QGZVFWFLSA-N 0 3 297.402 2.454 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000614963197 348261233 /nfs/dbraw/zinc/26/12/33/348261233.db2.gz QJEGBAPMCHMDLS-JLSDUUJJSA-N 0 3 299.418 2.150 20 30 CEEDHN CCOC(=O)C1(CNCc2ccc(C#N)s2)CC1 ZINC000351947117 219258317 /nfs/dbraw/zinc/25/83/17/219258317.db2.gz MSEODRMZRQVKLA-UHFFFAOYSA-N 0 3 264.350 2.053 20 30 CEEDHN CC(C)OCC[C@@H](O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000615973439 348422287 /nfs/dbraw/zinc/42/22/87/348422287.db2.gz JSAYKFDVDXXASN-XJKSGUPXSA-N 0 3 276.380 2.385 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NCc2ccc3c(c2)C(=O)NCC3)C1 ZINC000618575599 348980574 /nfs/dbraw/zinc/98/05/74/348980574.db2.gz SKBXYCWDYGBVRF-SWLSCSKDSA-N 0 3 283.375 2.144 20 30 CEEDHN C[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)[C@@H]1C ZINC000339563007 215245420 /nfs/dbraw/zinc/24/54/20/215245420.db2.gz QCJZZRZPOBUXIV-VXGBXAGGSA-N 0 3 257.337 2.227 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)Nc1cncc(C#N)n1 ZINC000401398353 233181822 /nfs/dbraw/zinc/18/18/22/233181822.db2.gz QRHRBMASJCMVHH-CYBMUJFWSA-N 0 3 281.363 2.281 20 30 CEEDHN N#Cc1cncc(NC2CCN(Cc3ccccc3)CC2)n1 ZINC000401322319 233182927 /nfs/dbraw/zinc/18/29/27/233182927.db2.gz IDWQHHQAPJSPLF-UHFFFAOYSA-N 0 3 293.374 2.425 20 30 CEEDHN Cc1cc(CN2CCN(C[C@H](C)CCC#N)CC2)no1 ZINC000618887283 349059625 /nfs/dbraw/zinc/05/96/25/349059625.db2.gz RYZMCQCVDZACKC-CYBMUJFWSA-N 0 3 276.384 2.041 20 30 CEEDHN C[C@@H](CCC#N)CN1CCN(Cc2ccncc2)CC1 ZINC000618888032 349059921 /nfs/dbraw/zinc/05/99/21/349059921.db2.gz QBTJVKFEYXDSTC-HNNXBMFYSA-N 0 3 272.396 2.139 20 30 CEEDHN N#Cc1ccc(CN2CCN(C3CCCC3)CC2)nc1 ZINC000618903917 349063706 /nfs/dbraw/zinc/06/37/06/349063706.db2.gz KFMKFKBCGPJCBQ-UHFFFAOYSA-N 0 3 270.380 2.013 20 30 CEEDHN CC(C)(C)[C@H]1CN(CCCSCC#N)CCO1 ZINC000619179445 349134794 /nfs/dbraw/zinc/13/47/94/349134794.db2.gz CPHSSUOBGLICMH-GFCCVEGCSA-N 0 3 256.415 2.380 20 30 CEEDHN CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000619417546 349174909 /nfs/dbraw/zinc/17/49/09/349174909.db2.gz RXNUPQITVIXXIZ-CQSZACIVSA-N 0 3 267.332 2.109 20 30 CEEDHN C=C[C@H](N[C@H](CN1CCCC1)c1ccccc1)C(=O)OC ZINC000619700281 349221469 /nfs/dbraw/zinc/22/14/69/349221469.db2.gz RENPTNNPFXUPNA-JKSUJKDBSA-N 0 3 288.391 2.141 20 30 CEEDHN CCn1cc(CN(C)CCCC2(C#N)CCOCC2)cn1 ZINC000619620461 349205749 /nfs/dbraw/zinc/20/57/49/349205749.db2.gz SKQHXRLNVFQXMU-UHFFFAOYSA-N 0 3 290.411 2.435 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)NC[C@@H]2CCCN2CC)C1 ZINC000623395244 350008108 /nfs/dbraw/zinc/00/81/08/350008108.db2.gz DETRJKFFUTYNIQ-KGLIPLIRSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000623598249 350060723 /nfs/dbraw/zinc/06/07/23/350060723.db2.gz WPXGDDGIPGUSCW-GJZGRUSLSA-N 0 3 279.428 2.468 20 30 CEEDHN C=C[C@@H](C)NC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000623747509 350101040 /nfs/dbraw/zinc/10/10/40/350101040.db2.gz YYYXPEIZIFJBCV-TZMCWYRMSA-N 0 3 265.401 2.267 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000624323954 350260450 /nfs/dbraw/zinc/26/04/50/350260450.db2.gz DFIASSSUQMGKQB-UONOGXRCSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)N[C@H]2CCN(CCC)C2)C1 ZINC000624381234 350275564 /nfs/dbraw/zinc/27/55/64/350275564.db2.gz IDRBTZPWANMVQB-KBPBESRZSA-N 0 3 265.401 2.078 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)CC1CCCC1 ZINC000069227792 362957520 /nfs/dbraw/zinc/95/75/20/362957520.db2.gz OWXPXHQXZMAXBW-ZDUSSCGKSA-N 0 3 265.401 2.117 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)NCc2cccc(OC)c2)C1 ZINC000625702832 350550525 /nfs/dbraw/zinc/55/05/25/350550525.db2.gz XGIXYPMACIQGRN-CQSZACIVSA-N 0 3 288.391 2.209 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)N2CCC[C@H](C)C2)C1 ZINC000625703103 350550798 /nfs/dbraw/zinc/55/07/98/350550798.db2.gz YJYCAQWCLDIVGU-KBPBESRZSA-N 0 3 250.386 2.143 20 30 CEEDHN CCCO[C@H]1CCCN(CC(=O)N(CC)CCC#N)CC1 ZINC000108396028 186215349 /nfs/dbraw/zinc/21/53/49/186215349.db2.gz XDYQJOWPLFEPSW-HNNXBMFYSA-N 0 3 295.427 2.030 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000625895913 350595008 /nfs/dbraw/zinc/59/50/08/350595008.db2.gz JPXNFNBCEQTXCQ-LBPRGKRZSA-N 0 3 286.379 2.157 20 30 CEEDHN C=CCOCCN[C@H](c1ccc(OC)nc1)C1CC1 ZINC000626181218 350679709 /nfs/dbraw/zinc/67/97/09/350679709.db2.gz YTPQZDOEQUAUBJ-HNNXBMFYSA-N 0 3 262.353 2.334 20 30 CEEDHN C=CCOCCCC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000628545667 351135897 /nfs/dbraw/zinc/13/58/97/351135897.db2.gz YWNTWRKZEUVQNO-MRXNPFEDSA-N 0 3 294.439 2.492 20 30 CEEDHN N#Cc1ccc(CN2CCC(NCC(F)F)CC2)cc1 ZINC000291430242 198020089 /nfs/dbraw/zinc/02/00/89/198020089.db2.gz JEELHVNFQDUCNS-UHFFFAOYSA-N 0 3 279.334 2.377 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@H]2CC[C@H](SCC)C2)C1=O ZINC000337190398 366065197 /nfs/dbraw/zinc/06/51/97/366065197.db2.gz RULHRJDCILUDHI-IHRRRGAJSA-N 0 3 282.453 2.379 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@@H]2CC[C@H](SCC)C2)C1=O ZINC000337190401 366065305 /nfs/dbraw/zinc/06/53/05/366065305.db2.gz RULHRJDCILUDHI-RDBSUJKOSA-N 0 3 282.453 2.379 20 30 CEEDHN C=CCN1CC[C@H](N2CC[C@]3(CC[C@H](C)C3)C2)C1=O ZINC000337207877 366077515 /nfs/dbraw/zinc/07/75/15/366077515.db2.gz PLTHGGVCLFKAKB-DZKIICNBSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCSCCN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000122872399 187056941 /nfs/dbraw/zinc/05/69/41/187056941.db2.gz AYOSRJOJRRTBQQ-CYBMUJFWSA-N 0 3 299.461 2.358 20 30 CEEDHN Cn1cc(CN[C@H]2CCN(c3ccccc3F)C2)cc1C#N ZINC000291758370 198082536 /nfs/dbraw/zinc/08/25/36/198082536.db2.gz RDYQZEVYUKHRAQ-AWEZNQCLSA-N 0 3 298.365 2.404 20 30 CEEDHN C[C@H]1CCCCN1CCNCc1cnc2ccc(C#N)cn12 ZINC000123304071 187084037 /nfs/dbraw/zinc/08/40/37/187084037.db2.gz OYBVEDGJWFXZBW-AWEZNQCLSA-N 0 3 297.406 2.170 20 30 CEEDHN C=CCN1CCC(NC(=O)c2[nH]cnc2C(C)(C)C)CC1 ZINC000630941238 351895473 /nfs/dbraw/zinc/89/54/73/351895473.db2.gz BSGHULFLPWFBLG-UHFFFAOYSA-N 0 3 290.411 2.087 20 30 CEEDHN C=C1CC(C)(C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000631139777 351983350 /nfs/dbraw/zinc/98/33/50/351983350.db2.gz PZSVDBMVZSOQBA-CQSZACIVSA-N 0 3 262.397 2.430 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cccc(NC(C)=O)c1 ZINC000631153863 351989667 /nfs/dbraw/zinc/98/96/67/351989667.db2.gz LWPRVQKRNRPCMN-HNNXBMFYSA-N 0 3 262.353 2.062 20 30 CEEDHN CC(C#N)C(=O)NCc1cc(Br)cs1 ZINC000070600123 363100537 /nfs/dbraw/zinc/10/05/37/363100537.db2.gz AEQUVAZKVSYMCW-ZCFIWIBFSA-N 0 3 273.155 2.286 20 30 CEEDHN C=CCCC(C)(C)CNCc1cn(C[C@H]2CCOC2)nn1 ZINC000631217850 352021676 /nfs/dbraw/zinc/02/16/76/352021676.db2.gz FSMDNUGCEQZEMJ-CQSZACIVSA-N 0 3 292.427 2.397 20 30 CEEDHN C=CC[C@@H](CO)N[C@H]1CCc2c1c(F)ccc2F ZINC000273495062 192175302 /nfs/dbraw/zinc/17/53/02/192175302.db2.gz XNSIIWXVQGSLPW-ZANVPECISA-N 0 3 253.292 2.479 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000152949150 188054742 /nfs/dbraw/zinc/05/47/42/188054742.db2.gz SARRSXTVKPPTLP-OCCSQVGLSA-N 0 3 262.397 2.496 20 30 CEEDHN CC#CCCN1CCN(CCc2ccccc2)CC1 ZINC000155043852 188178345 /nfs/dbraw/zinc/17/83/45/188178345.db2.gz FCGKVPYNORAZCO-UHFFFAOYSA-N 0 3 256.393 2.260 20 30 CEEDHN CC#CCCN1CCC(NC(=O)c2ccsc2)CC1 ZINC000155216123 188191597 /nfs/dbraw/zinc/19/15/97/188191597.db2.gz YFVHWQSVUUFEKK-UHFFFAOYSA-N 0 3 276.405 2.356 20 30 CEEDHN CC#CCCN1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000156645460 188274877 /nfs/dbraw/zinc/27/48/77/188274877.db2.gz HKTRXZRNHVFEEK-OAHLLOKOSA-N 0 3 285.391 2.454 20 30 CEEDHN CC#CCN1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000157711938 188334694 /nfs/dbraw/zinc/33/46/94/188334694.db2.gz JRSVKXYJQHLGEO-UHFFFAOYSA-N 0 3 288.366 2.177 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC1(C)C ZINC000158846251 188397604 /nfs/dbraw/zinc/39/76/04/188397604.db2.gz XAIICPKCYRUURL-MRXNPFEDSA-N 0 3 299.418 2.495 20 30 CEEDHN CN(c1ccc(NC(=O)CC#N)cc1)C1CCN(C)CC1 ZINC000132337429 366136497 /nfs/dbraw/zinc/13/64/97/366136497.db2.gz ZYCAICUGVVAQPH-UHFFFAOYSA-N 0 3 286.379 2.069 20 30 CEEDHN C=CCCN1CCN(CCCOCC(F)(F)F)CC1 ZINC000132610998 366158317 /nfs/dbraw/zinc/15/83/17/366158317.db2.gz JCBZKSHGHYLYTO-UHFFFAOYSA-N 0 3 280.334 2.149 20 30 CEEDHN C=CCCc1ccccc1NC(=O)[C@H]1CN2CCN1CCC2 ZINC000337533100 366158608 /nfs/dbraw/zinc/15/86/08/366158608.db2.gz FHJTXQQEBPPEAW-QGZVFWFLSA-N 0 3 299.418 2.134 20 30 CEEDHN C=CCOCC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000337720826 366170424 /nfs/dbraw/zinc/17/04/24/366170424.db2.gz JVKNXNHVEAKHKK-UHFFFAOYSA-N 0 3 294.439 2.352 20 30 CEEDHN C=CCn1c(C(C)C)nnc1N1CCN(CC2CC2)CC1 ZINC000337817543 366175434 /nfs/dbraw/zinc/17/54/34/366175434.db2.gz PJJURQLXRRDCIF-UHFFFAOYSA-N 0 3 289.427 2.120 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000338129070 366204093 /nfs/dbraw/zinc/20/40/93/366204093.db2.gz BBFDBQJKRYDUIG-BZNIZROVSA-N 0 3 283.375 2.079 20 30 CEEDHN Cc1nnc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c(C#N)c1C ZINC000133540660 366234259 /nfs/dbraw/zinc/23/42/59/366234259.db2.gz ABCBANYYEBPUHQ-JOYOIKCWSA-N 0 3 271.368 2.002 20 30 CEEDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000075022999 363436444 /nfs/dbraw/zinc/43/64/44/363436444.db2.gz IIYUCPUWQHSXDM-NFAWXSAZSA-N 0 3 265.401 2.161 20 30 CEEDHN N#CCSCCCN1CCN(c2ccc(O)cc2)CC1 ZINC000074980852 363429704 /nfs/dbraw/zinc/42/97/04/363429704.db2.gz NIBWPKSWCSKPRL-UHFFFAOYSA-N 0 3 291.420 2.161 20 30 CEEDHN CC(C)[C@H](C)N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000573491172 314161457 /nfs/dbraw/zinc/16/14/57/314161457.db2.gz APKPUBWNBIZPEO-NSHDSACASA-N 0 3 257.341 2.077 20 30 CEEDHN C[C@@H]1CN(C(C)(C)CNCc2ccc(C#N)o2)C[C@@H](C)O1 ZINC000174252828 188889040 /nfs/dbraw/zinc/88/90/40/188889040.db2.gz MWFQXGGYOULQIG-CHWSQXEVSA-N 0 3 291.395 2.129 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC000668370070 538894075 /nfs/dbraw/zinc/89/40/75/538894075.db2.gz MNSBKCDRXALBEX-ZDUSSCGKSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ncn3ccc(C)cc23)CC1 ZINC000668370462 538894215 /nfs/dbraw/zinc/89/42/15/538894215.db2.gz YAMPNZUZPPYAKM-UHFFFAOYSA-N 0 3 298.390 2.023 20 30 CEEDHN C=CCN1CC[C@H](N(C)C[C@H](C)C(C)(C)C)C1=O ZINC000670270956 540263893 /nfs/dbraw/zinc/26/38/93/540263893.db2.gz PFDPDCRDUCNUHP-STQMWFEESA-N 0 3 252.402 2.387 20 30 CEEDHN Cc1csc(C(C#N)C(=O)c2cnc3n2CCCC3)n1 ZINC000578030598 366434132 /nfs/dbraw/zinc/43/41/32/366434132.db2.gz ZVBUJWWJEBCFOB-JTQLQIEISA-N 0 3 286.360 2.474 20 30 CEEDHN Cc1cc(NC(=O)C(C#N)c2nc3ccccc3s2)no1 ZINC000338625989 366445184 /nfs/dbraw/zinc/44/51/84/366445184.db2.gz LOPOBENGYHJVIL-SECBINFHSA-N 0 3 298.327 2.261 20 30 CEEDHN CC#CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000135930269 366483877 /nfs/dbraw/zinc/48/38/77/366483877.db2.gz KKGCIKLEQLHCGQ-MRXNPFEDSA-N 0 3 299.418 2.316 20 30 CEEDHN C[C@@H](O)[C@@H](C)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000578618740 366520239 /nfs/dbraw/zinc/52/02/39/366520239.db2.gz PIABSOSDJHLUHO-GHMZBOCLSA-N 0 3 271.282 2.416 20 30 CEEDHN CN(C)[C@H]1CCCN(C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000151051137 366615503 /nfs/dbraw/zinc/61/55/03/366615503.db2.gz AFXSECQPJWXQAE-NSHDSACASA-N 0 3 293.317 2.003 20 30 CEEDHN CC(C)[C@@H](NCc1ccc(C#N)cn1)[C@@H](CO)C(C)C ZINC000579137460 366601201 /nfs/dbraw/zinc/60/12/01/366601201.db2.gz CQJJQFIQELRLSC-JKSUJKDBSA-N 0 3 275.396 2.332 20 30 CEEDHN CCN(CC)C(=O)C[C@@H](C)NCc1cccc(C#N)c1 ZINC000151391700 366642415 /nfs/dbraw/zinc/64/24/15/366642415.db2.gz ZLSNEISABVVHQW-CYBMUJFWSA-N 0 3 273.380 2.295 20 30 CEEDHN CC[C@H](C(=O)NC1(c2cccc(C#N)c2)CC1)N(C)C ZINC000298160914 200348232 /nfs/dbraw/zinc/34/82/32/200348232.db2.gz DPPWOYVMKNAHPH-CQSZACIVSA-N 0 3 271.364 2.004 20 30 CEEDHN COc1ccc([C@H](O)CNCc2ccc(C#N)s2)cc1 ZINC000176945240 189016527 /nfs/dbraw/zinc/01/65/27/189016527.db2.gz CGKCVMKPWKFBPG-OAHLLOKOSA-N 0 3 288.372 2.452 20 30 CEEDHN C[C@H]1C[C@H](N(C)C(=O)c2cc(C#N)cs2)CCN1C 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540983660 /nfs/dbraw/zinc/98/36/60/540983660.db2.gz CARUFFBICXWFKV-HNNXBMFYSA-N 0 3 251.370 2.060 20 30 CEEDHN CCC#C[C@H](C)N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000677047703 540975920 /nfs/dbraw/zinc/97/59/20/540975920.db2.gz GJZFAGQGHPGZHM-GJZGRUSLSA-N 0 3 264.413 2.273 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000677479915 541018825 /nfs/dbraw/zinc/01/88/25/541018825.db2.gz QZPKMIPLMUYLDN-INIZCTEOSA-N 0 3 294.439 2.084 20 30 CEEDHN CC#CCN(Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C ZINC000579914082 366719197 /nfs/dbraw/zinc/71/91/97/366719197.db2.gz NZAJSQSYNCYZNH-RDJZCZTQSA-N 0 3 273.376 2.052 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](C)[C@H](CO)SC)cc1 ZINC000152420575 366695446 /nfs/dbraw/zinc/69/54/46/366695446.db2.gz ABUNLNDGZMNXOE-WFASDCNBSA-N 0 3 281.421 2.453 20 30 CEEDHN C=CCOc1ccccc1CN[C@H](C)[C@@H](CO)SC ZINC000152469981 366699257 /nfs/dbraw/zinc/69/92/57/366699257.db2.gz SOONCEQLASSMIK-IUODEOHRSA-N 0 3 281.421 2.453 20 30 CEEDHN N#Cc1cccc(OCCN2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000153109612 366729694 /nfs/dbraw/zinc/72/96/94/366729694.db2.gz XQHUWHRLPSXQAE-NVXWUHKLSA-N 0 3 286.375 2.438 20 30 CEEDHN Cc1oc(NC(=O)CN[C@H]2CCC2(C)C)c(C#N)c1C ZINC000580213177 366769275 /nfs/dbraw/zinc/76/92/75/366769275.db2.gz IXNQRWIXPAHQIA-LBPRGKRZSA-N 0 3 275.352 2.485 20 30 CEEDHN CN(C)[C@H](CNc1ccc(C#N)nn1)c1ccc(F)cc1 ZINC000301818951 201216666 /nfs/dbraw/zinc/21/66/66/201216666.db2.gz AIKPHTQZCIIJLL-CQSZACIVSA-N 0 3 285.326 2.202 20 30 CEEDHN C[C@H](CNc1ccc(C#N)nn1)N1CCc2ccccc2C1 ZINC000301869717 201242605 /nfs/dbraw/zinc/24/26/05/201242605.db2.gz CPIOYVLFPLYSDU-CYBMUJFWSA-N 0 3 293.374 2.207 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)c1cccc(C#N)c1 ZINC000027742752 361659123 /nfs/dbraw/zinc/65/91/23/361659123.db2.gz PISFEKNXVGZKLM-CYBMUJFWSA-N 0 3 271.364 2.162 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000678894974 541189341 /nfs/dbraw/zinc/18/93/41/541189341.db2.gz JGNHRKXKGXZRBM-YOEHRIQHSA-N 0 3 289.375 2.436 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N[C@H]1CCCN(C)C1 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ZINC000335702919 364856495 /nfs/dbraw/zinc/85/64/95/364856495.db2.gz BGKUHNHGJHIKTK-GJZGRUSLSA-N 0 3 273.380 2.145 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000335600713 364811558 /nfs/dbraw/zinc/81/15/58/364811558.db2.gz PHHLVPRXQMRAON-XJKSGUPXSA-N 0 3 275.396 2.013 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)N1CCC(C#N)CC1 ZINC000113406736 364893089 /nfs/dbraw/zinc/89/30/89/364893089.db2.gz OCSWJLLANSCDGY-HNNXBMFYSA-N 0 3 292.427 2.196 20 30 CEEDHN CC1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CCCC1 ZINC000115599870 365019072 /nfs/dbraw/zinc/01/90/72/365019072.db2.gz RXKRARVYTPQDIU-AWEZNQCLSA-N 0 3 271.364 2.255 20 30 CEEDHN N#Cc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1Cl ZINC000335878950 365105414 /nfs/dbraw/zinc/10/54/14/365105414.db2.gz AVBITPRFLPYGTC-LBPRGKRZSA-N 0 3 289.766 2.178 20 30 CEEDHN CN(C)C1(CNC(=O)/C=C/c2cccc(C#N)c2)CCC1 ZINC000275695089 193106344 /nfs/dbraw/zinc/10/63/44/193106344.db2.gz BCKSZXFJLDUCFQ-BQYQJAHWSA-N 0 3 283.375 2.172 20 30 CEEDHN C[C@@H](C(=O)NCc1cccc(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000120633951 365452089 /nfs/dbraw/zinc/45/20/89/365452089.db2.gz XZTAJLXDIWOCMU-MCIONIFRSA-N 0 3 285.391 2.436 20 30 CEEDHN Cn1cc(CN2CCC3(CCOCC3)CC2)cc1C#N ZINC000336167905 365504637 /nfs/dbraw/zinc/50/46/37/365504637.db2.gz OTVSCGPNTZIQQH-UHFFFAOYSA-N 0 3 273.380 2.289 20 30 CEEDHN COc1ccc(C#N)cc1CN(C[C@@H](C)O)C(C)C ZINC000160071304 366969862 /nfs/dbraw/zinc/96/98/62/366969862.db2.gz GFJSPLQDAKYEKM-GFCCVEGCSA-N 0 3 262.353 2.158 20 30 CEEDHN C[C@]1(CCCO)CCCN1Cc1ccc(C#N)cn1 ZINC000583031802 366992106 /nfs/dbraw/zinc/99/21/06/366992106.db2.gz DAMYRTBWUHASNT-OAHLLOKOSA-N 0 3 259.353 2.080 20 30 CEEDHN CC(C)N1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000160771104 367033055 /nfs/dbraw/zinc/03/30/55/367033055.db2.gz XAJVOKWNDBRIOO-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000161430061 367086442 /nfs/dbraw/zinc/08/64/42/367086442.db2.gz VOVIRRSQRUZQJO-AWEZNQCLSA-N 0 3 285.391 2.471 20 30 CEEDHN C=C(C)CN(C)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000245538912 370834854 /nfs/dbraw/zinc/83/48/54/370834854.db2.gz ZHXUUYQHPXEEGX-KGLIPLIRSA-N 0 3 267.417 2.324 20 30 CEEDHN CN(CCC#N)C(=O)CCN1CCS[C@@H]2CCCC[C@H]21 ZINC000245546871 370836566 /nfs/dbraw/zinc/83/65/66/370836566.db2.gz WUADVAQEEJQJSR-ZIAGYGMSSA-N 0 3 295.452 2.109 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)N(CC)C[C@@H](C)C#N ZINC000357530307 370821818 /nfs/dbraw/zinc/82/18/18/370821818.db2.gz PNEXRFXDXKJCHC-BFHYXJOUSA-N 0 3 265.401 2.257 20 30 CEEDHN Cc1ccc2ncc(C#N)c(NCCN3CCCC3)c2c1 ZINC000584445672 367157549 /nfs/dbraw/zinc/15/75/49/367157549.db2.gz KEGJJENQSMSSNG-UHFFFAOYSA-N 0 3 280.375 2.345 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@H]1CCCOC1 ZINC000245483894 370826887 /nfs/dbraw/zinc/82/68/87/370826887.db2.gz GHXWSKNUTMAUHK-HUUCEWRRSA-N 0 3 282.428 2.158 20 30 CEEDHN CC(C#N)C(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000357786529 370829457 /nfs/dbraw/zinc/82/94/57/370829457.db2.gz FTOSAXLPNUYSFF-GFCCVEGCSA-N 0 3 290.338 2.150 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)NCC(C)(C)CCC#N ZINC000588622957 367194401 /nfs/dbraw/zinc/19/44/01/367194401.db2.gz CRKKYOCDBZNDBX-AWEZNQCLSA-N 0 3 294.443 2.490 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000628733773 367245975 /nfs/dbraw/zinc/24/59/75/367245975.db2.gz WVPWWIDEZSNWNP-PXAZEXFGSA-N 0 3 298.342 2.173 20 30 CEEDHN Cc1cc(CN[C@@H](CO)C[C@H](O)C(C)(C)C)ccc1C#N ZINC000341253093 367247749 /nfs/dbraw/zinc/24/77/49/367247749.db2.gz JHYFMQJKDUHQSW-CVEARBPZSA-N 0 3 290.407 2.114 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000341367364 367306814 /nfs/dbraw/zinc/30/68/14/367306814.db2.gz HPUQPBGSBADSEJ-QLFBSQMISA-N 0 3 279.428 2.467 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C)(OC)CC1 ZINC000342157100 367388542 /nfs/dbraw/zinc/38/85/42/367388542.db2.gz QZFMAIIISDPSOG-CQSZACIVSA-N 0 3 282.428 2.300 20 30 CEEDHN CCc1ccc(CN(C)CCC(=O)N(C)CCC#N)cc1 ZINC000342553756 367420254 /nfs/dbraw/zinc/42/02/54/367420254.db2.gz QWCXPGISZJZQIF-UHFFFAOYSA-N 0 3 287.407 2.443 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(CCN(C)C)C(C)C ZINC000341498374 367358805 /nfs/dbraw/zinc/35/88/05/367358805.db2.gz CNAGTPVRELEQFP-ZDUSSCGKSA-N 0 3 255.406 2.323 20 30 CEEDHN CC(=O)N(C)C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000342663370 367473828 /nfs/dbraw/zinc/47/38/28/367473828.db2.gz MMDARFVNOSZGMO-UHFFFAOYSA-N 0 3 285.391 2.195 20 30 CEEDHN CN(CCNC(=O)NCCCCC#N)Cc1ccccc1 ZINC000170878202 367439235 /nfs/dbraw/zinc/43/92/35/367439235.db2.gz VRQRKMTUSRBMAN-UHFFFAOYSA-N 0 3 288.395 2.111 20 30 CEEDHN N#CCCCCN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000171033725 367465604 /nfs/dbraw/zinc/46/56/04/367465604.db2.gz SXNINHNELAZXES-HNNXBMFYSA-N 0 3 271.364 2.243 20 30 CEEDHN C=CCCN(C)CC(=O)NC(=O)Nc1ccc(C)c(C)c1 ZINC000342754706 367516926 /nfs/dbraw/zinc/51/69/26/367516926.db2.gz BDNIKCHPUAMPAR-UHFFFAOYSA-N 0 3 289.379 2.459 20 30 CEEDHN CC[C@H](C)N[C@@H](CNc1nc(C)cc(C#N)n1)c1ccco1 ZINC000343246875 367723866 /nfs/dbraw/zinc/72/38/66/367723866.db2.gz GCNDRFAIMMGFOR-FZMZJTMJSA-N 0 3 299.378 2.213 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638985731 370888091 /nfs/dbraw/zinc/88/80/91/370888091.db2.gz NDPJVRZKEWKWEF-CYBMUJFWSA-N 0 3 288.395 2.032 20 30 CEEDHN C=C(C)[C@@H](CC(=O)NCCN1CC=C(C)CC1)OCC ZINC000358074966 370893808 /nfs/dbraw/zinc/89/38/08/370893808.db2.gz SIINECZCGMDUDE-OAHLLOKOSA-N 0 3 280.412 2.126 20 30 CEEDHN C[C@@H]1[C@H](Nc2c(C#N)nnc3ccccc32)CCCN1C ZINC000343476925 367837597 /nfs/dbraw/zinc/83/75/97/367837597.db2.gz WYJAWAANDTYJIJ-DGCLKSJQSA-N 0 3 281.363 2.396 20 30 CEEDHN CCc1nnc(N[C@@H]2CCCN(C)[C@@H]2C)c(C#N)c1CC ZINC000343477841 367837899 /nfs/dbraw/zinc/83/78/99/367837899.db2.gz OWWJOVPJDCQXHW-IAQYHMDHSA-N 0 3 287.411 2.368 20 30 CEEDHN C[C@@H]1[C@@H](Nc2c(C#N)cnc3ccccc32)CCCN1C ZINC000343601063 367910168 /nfs/dbraw/zinc/91/01/68/367910168.db2.gz PQUHXKUUSHNDAM-DOMZBBRYSA-N 0 3 280.375 2.423 20 30 CEEDHN C[C@@H](NCCc1cccc(C#N)c1)c1ccnn1C ZINC000343605268 367911425 /nfs/dbraw/zinc/91/14/25/367911425.db2.gz OJBCXMSADATBDA-GFCCVEGCSA-N 0 3 254.337 2.185 20 30 CEEDHN CCCn1cc(CNCCOc2ccc(C#N)cc2)cn1 ZINC000174562162 368040026 /nfs/dbraw/zinc/04/00/26/368040026.db2.gz IRGXIRSOPQDVKA-UHFFFAOYSA-N 0 3 284.363 2.333 20 30 CEEDHN CC#CCCCC(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000343854331 368041715 /nfs/dbraw/zinc/04/17/15/368041715.db2.gz JCINWCGRRNLWRY-IYBDPMFKSA-N 0 3 294.439 2.186 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@](C)(CC)C1 ZINC000344225767 368114992 /nfs/dbraw/zinc/11/49/92/368114992.db2.gz FEHJBXSIKACPLR-UKRRQHHQSA-N 0 3 265.401 2.117 20 30 CEEDHN CNC(=O)CC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000175035525 368092494 /nfs/dbraw/zinc/09/24/94/368092494.db2.gz HAGVYYUTHLFJNQ-ZDUSSCGKSA-N 0 3 285.391 2.467 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000175747309 368171583 /nfs/dbraw/zinc/17/15/83/368171583.db2.gz HWKGGPVRBSDOLY-HNNXBMFYSA-N 0 3 296.374 2.345 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000180897817 368400767 /nfs/dbraw/zinc/40/07/67/368400767.db2.gz QRAVKYLCCITPKX-CHWSQXEVSA-N 0 3 253.390 2.125 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)[C@H](C)N1CCCCCC1 ZINC000183940977 368659853 /nfs/dbraw/zinc/65/98/53/368659853.db2.gz SYHYQPKLMBDEMC-STQMWFEESA-N 0 3 251.374 2.059 20 30 CEEDHN COc1ccc(CN2CCN(C)C[C@@H]2C(C)C)cc1C#N ZINC000184740959 368717264 /nfs/dbraw/zinc/71/72/64/368717264.db2.gz UTQYXVSYWAWHPT-MRXNPFEDSA-N 0 3 287.407 2.339 20 30 CEEDHN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)C(C)C#N ZINC000346446726 368678620 /nfs/dbraw/zinc/67/86/20/368678620.db2.gz QEMRFNZCBANZJO-XEGUGMAKSA-N 0 3 258.321 2.001 20 30 CEEDHN CCOC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000185034208 368738269 /nfs/dbraw/zinc/73/82/69/368738269.db2.gz BQYQIQOURYKMQX-SWLSCSKDSA-N 0 3 287.363 2.440 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](COCC)C1 ZINC000246255441 370937345 /nfs/dbraw/zinc/93/73/45/370937345.db2.gz UCVNXEMUGQTBQR-LSDHHAIUSA-N 0 3 282.428 2.158 20 30 CEEDHN CCC[C@H]1CCCCN1CC(=O)N(CC)CCC#N ZINC000185878556 368880034 /nfs/dbraw/zinc/88/00/34/368880034.db2.gz KFMXARHQTWPPFC-AWEZNQCLSA-N 0 3 265.401 2.403 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cscn2)cc1 ZINC000348192682 368943064 /nfs/dbraw/zinc/94/30/64/368943064.db2.gz IXYFPZCSGUACEN-ZDUSSCGKSA-N 0 3 296.355 2.013 20 30 CEEDHN C[C@H](NC(C)(C)c1cccs1)C(=O)N(C)CCC#N ZINC000348316958 368999409 /nfs/dbraw/zinc/99/94/09/368999409.db2.gz JEOQMXYPOHKVRW-NSHDSACASA-N 0 3 279.409 2.333 20 30 CEEDHN C=CCCOCCNCc1ccc2nccnc2c1 ZINC000634973791 369005684 /nfs/dbraw/zinc/00/56/84/369005684.db2.gz KWVOBPCBWBNORW-UHFFFAOYSA-N 0 3 257.337 2.312 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000348530323 369072074 /nfs/dbraw/zinc/07/20/74/369072074.db2.gz LPQONJNKWSZOIK-CVEARBPZSA-N 0 3 288.391 2.016 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@H](O)CSC ZINC000187815909 369230021 /nfs/dbraw/zinc/23/00/21/369230021.db2.gz ZWGJIURNMIKPNL-AWEZNQCLSA-N 0 3 251.395 2.399 20 30 CEEDHN COCCOc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000349806760 369405757 /nfs/dbraw/zinc/40/57/57/369405757.db2.gz ZJQHIQGHMMEXOP-GJZGRUSLSA-N 0 3 274.364 2.494 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(CC(N)=O)CC1 ZINC000188984325 369437878 /nfs/dbraw/zinc/43/78/78/369437878.db2.gz FMJBPDDHRJPNRQ-LBPRGKRZSA-N 0 3 271.364 2.207 20 30 CEEDHN C#CCCOc1ccc(CN[C@H]2C[C@@H](O)C2(C)C)cc1 ZINC000189339644 369500020 /nfs/dbraw/zinc/50/00/20/369500020.db2.gz AJQHTJNHOOWJCU-JKSUJKDBSA-N 0 3 273.376 2.338 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(N2CCNC2=O)CC1 ZINC000189342080 369501332 /nfs/dbraw/zinc/50/13/32/369501332.db2.gz KPZTWFNPRACWOI-ZDUSSCGKSA-N 0 3 298.390 2.109 20 30 CEEDHN C=CCN(CCOC)Cc1ccc2nccnc2c1 ZINC000639099888 370976151 /nfs/dbraw/zinc/97/61/51/370976151.db2.gz LHLNEEXMWYIINK-UHFFFAOYSA-N 0 3 257.337 2.264 20 30 CEEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(NC(N)=O)cc1 ZINC000189587320 369543458 /nfs/dbraw/zinc/54/34/58/369543458.db2.gz FFIXPZUYSOKZJY-NSHDSACASA-N 0 3 297.362 2.238 20 30 CEEDHN C=CC[C@H](CO)NCc1cnc(C2CCC2)s1 ZINC000351591829 369642522 /nfs/dbraw/zinc/64/25/22/369642522.db2.gz HSMABRMCPNJJOK-LLVKDONJSA-N 0 3 252.383 2.437 20 30 CEEDHN C=CCC[C@H](O)CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000351958793 369657623 /nfs/dbraw/zinc/65/76/23/369657623.db2.gz OITHGHJIGMAZQS-IHRRRGAJSA-N 0 3 253.386 2.203 20 30 CEEDHN CN(CC#Cc1ccc(Cl)cc1)C1(CO)CCOCC1 ZINC000191014570 369668127 /nfs/dbraw/zinc/66/81/27/369668127.db2.gz FAMKZGWCRPVTJR-UHFFFAOYSA-N 0 3 293.794 2.165 20 30 CEEDHN COC(=O)C1(CNCc2cc(C#N)n(C)c2)CCCCC1 ZINC000191476423 369716736 /nfs/dbraw/zinc/71/67/36/369716736.db2.gz QRODBBBKAJLANX-UHFFFAOYSA-N 0 3 289.379 2.110 20 30 CEEDHN C=CCN(CCOC)C[C@@H](O)COc1ccc(C)cc1C ZINC000191133648 369682428 /nfs/dbraw/zinc/68/24/28/369682428.db2.gz ZVXJECXJEOPNDJ-MRXNPFEDSA-N 0 3 293.407 2.178 20 30 CEEDHN C=CCCN(C)[C@@H](C)C(=O)NCc1cccc(OC)c1 ZINC000276466990 193343221 /nfs/dbraw/zinc/34/32/21/193343221.db2.gz RFKSFTHAJOAOLE-ZDUSSCGKSA-N 0 3 276.380 2.208 20 30 CEEDHN C=CCCN(C)C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000276468886 193344460 /nfs/dbraw/zinc/34/44/60/193344460.db2.gz RKZNXOPZZZPRTC-OAHLLOKOSA-N 0 3 277.364 2.137 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000193123516 369895559 /nfs/dbraw/zinc/89/55/59/369895559.db2.gz INJXCDXMVRXDCX-MJBXVCDLSA-N 0 3 250.386 2.448 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000193123534 369895595 /nfs/dbraw/zinc/89/55/95/369895595.db2.gz INJXCDXMVRXDCX-IHRRRGAJSA-N 0 3 250.386 2.448 20 30 CEEDHN CC(C)[C@H](CNCc1nc(C#N)cs1)N1CCCC1 ZINC000352837458 369905098 /nfs/dbraw/zinc/90/50/98/369905098.db2.gz ARAIPYLUHZZVNA-ZDUSSCGKSA-N 0 3 278.425 2.225 20 30 CEEDHN C=C(C)CN(C)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637662744 370027947 /nfs/dbraw/zinc/02/79/47/370027947.db2.gz ZKRSSPKPSZQMLZ-UHFFFAOYSA-N 0 3 291.399 2.190 20 30 CEEDHN N#Cc1ccc(CNC2CCN(CC(F)F)CC2)s1 ZINC000343931099 216981931 /nfs/dbraw/zinc/98/19/31/216981931.db2.gz YQWBGBLSOPPEKQ-UHFFFAOYSA-N 0 3 285.363 2.439 20 30 CEEDHN C=CC(C)(C)CCNC(=O)C1(N)Cc2ccccc2C1 ZINC000638454276 370543268 /nfs/dbraw/zinc/54/32/68/370543268.db2.gz FXJFMALWIYBNHR-UHFFFAOYSA-N 0 3 272.392 2.201 20 30 CEEDHN CC[C@H](C)N1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000233982784 370527176 /nfs/dbraw/zinc/52/71/76/370527176.db2.gz QRPGSGLRTDMWDY-AWEZNQCLSA-N 0 3 287.407 2.483 20 30 CEEDHN CN(C)C[C@H]1CCCN1c1nccc(C#N)c1Cl ZINC000234246951 370531672 /nfs/dbraw/zinc/53/16/72/370531672.db2.gz RQCQSSZYUSXFQF-LLVKDONJSA-N 0 3 264.760 2.137 20 30 CEEDHN N#Cc1ccc(N2CCC[C@H](NCC3CC3)C2=O)cc1 ZINC000355790547 370614427 /nfs/dbraw/zinc/61/44/27/370614427.db2.gz ZPTGTLYPWCTVQD-HNNXBMFYSA-N 0 3 269.348 2.053 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](CC(C)C)C1 ZINC000247353166 371097528 /nfs/dbraw/zinc/09/75/28/371097528.db2.gz HBWCDJJBIPKLCB-KGLIPLIRSA-N 0 3 252.402 2.435 20 30 CEEDHN C=CCN(CCOC)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000358446716 371069416 /nfs/dbraw/zinc/06/94/16/371069416.db2.gz OWNZFMCCBHCGSA-GJZGRUSLSA-N 0 3 297.443 2.093 20 30 CEEDHN C[C@@H](NCCc1cnccn1)c1ccc(C#N)cc1F ZINC000358558625 371117279 /nfs/dbraw/zinc/11/72/79/371117279.db2.gz CRUHPTBFQTZJGZ-LLVKDONJSA-N 0 3 270.311 2.381 20 30 CEEDHN C[C@H](NCCn1ccnc1)c1ccc(C#N)cc1F ZINC000358568368 371120935 /nfs/dbraw/zinc/12/09/35/371120935.db2.gz KUKFMKMXPGJMAU-NSHDSACASA-N 0 3 258.300 2.245 20 30 CEEDHN C[C@H](NC[C@@H]1CCCN1C)c1ccc(C#N)cc1F ZINC000358569995 371122650 /nfs/dbraw/zinc/12/26/50/371122650.db2.gz MZUOLHGVBOFWIM-AAEUAGOBSA-N 0 3 261.344 2.442 20 30 CEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCC(C)(C)CCC#N ZINC000358678336 371169202 /nfs/dbraw/zinc/16/92/02/371169202.db2.gz DQQROZQYFZTQIM-UONOGXRCSA-N 0 3 294.443 2.298 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC(C)(C)CCC#N ZINC000358678330 371169545 /nfs/dbraw/zinc/16/95/45/371169545.db2.gz DQQROZQYFZTQIM-KGLIPLIRSA-N 0 3 294.443 2.298 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000248830192 371251390 /nfs/dbraw/zinc/25/13/90/371251390.db2.gz HDLWQAALWWRNMK-WXYCVUISSA-N 0 3 256.349 2.317 20 30 CEEDHN CN(Cc1ccc(C#N)c(F)c1)C[C@@H]1CCC[C@H]1O ZINC000248837668 371254302 /nfs/dbraw/zinc/25/43/02/371254302.db2.gz KJLUNGVQAYGMLH-DZGCQCFKSA-N 0 3 262.328 2.290 20 30 CEEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C(=O)NCc1ccccc1 ZINC000248858470 371256895 /nfs/dbraw/zinc/25/68/95/371256895.db2.gz PMUDWNNJOZXUEM-NUEKZKHPSA-N 0 3 285.391 2.363 20 30 CEEDHN C[C@@H]1CCCCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000331997699 204374892 /nfs/dbraw/zinc/37/48/92/204374892.db2.gz OGAYQYNXPGHWRS-CQSZACIVSA-N 0 3 285.391 2.296 20 30 CEEDHN C=CCN(Cc1ccc2oc(=O)n(C)c2c1)[C@@H](C)COC ZINC000639784213 371565834 /nfs/dbraw/zinc/56/58/34/371565834.db2.gz AMWFNYHTFLUISK-LBPRGKRZSA-N 0 3 290.363 2.154 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000255563961 371593873 /nfs/dbraw/zinc/59/38/73/371593873.db2.gz WQRRJDHQWKRXDN-RBSFLKMASA-N 0 3 252.402 2.136 20 30 CEEDHN Cn1nccc1CN[C@H]1CCCN(c2ccccc2C#N)C1 ZINC000361405253 371830772 /nfs/dbraw/zinc/83/07/72/371830772.db2.gz NFEGMPMKDPDQGU-HNNXBMFYSA-N 0 3 295.390 2.050 20 30 CEEDHN C=CCN(CC=C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000361449967 371852913 /nfs/dbraw/zinc/85/29/13/371852913.db2.gz ROODMFIUUFSABC-MRXNPFEDSA-N 0 3 279.343 2.441 20 30 CEEDHN CCN(CC(=O)N(CC)C[C@@H](C)C#N)CC1CCC1 ZINC000361482666 371868257 /nfs/dbraw/zinc/86/82/57/371868257.db2.gz YJQTVJYCGYRKGR-ZDUSSCGKSA-N 0 3 265.401 2.117 20 30 CEEDHN CCN(CC(=O)NCc1cccc(C#N)c1)CC1CCC1 ZINC000361481728 371868919 /nfs/dbraw/zinc/86/89/19/371868919.db2.gz QCQZNWYTNRCQQC-UHFFFAOYSA-N 0 3 285.391 2.296 20 30 CEEDHN CN(CCOCc1ccc(C#N)cc1)C[C@@H](O)C(C)(C)C ZINC000344122156 217061515 /nfs/dbraw/zinc/06/15/15/217061515.db2.gz PUTDNCOUDGKTGF-MRXNPFEDSA-N 0 3 290.407 2.414 20 30 CEEDHN CNC(=O)C[C@@H](NCCCSCC#N)c1ccccc1 ZINC000361637107 371992847 /nfs/dbraw/zinc/99/28/47/371992847.db2.gz JLVCLUIANVBOPK-CQSZACIVSA-N 0 3 291.420 2.100 20 30 CEEDHN CCOC(=O)CCN(C)Cc1ccc(C#N)c(F)c1 ZINC000361699682 372030096 /nfs/dbraw/zinc/03/00/96/372030096.db2.gz CHHYPMDJQURXAO-UHFFFAOYSA-N 0 3 264.300 2.082 20 30 CEEDHN CS[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1N(C)C ZINC000361864589 372105909 /nfs/dbraw/zinc/10/59/09/372105909.db2.gz 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XFJYTKGRXGXTHM-OAHLLOKOSA-N 0 3 283.375 2.045 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccccc1OC(C)C ZINC000641768545 372709381 /nfs/dbraw/zinc/70/93/81/372709381.db2.gz BYYRGDPHTVDCGK-OAHLLOKOSA-N 0 3 261.365 2.338 20 30 CEEDHN CCCN(CC)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000270780061 372948358 /nfs/dbraw/zinc/94/83/58/372948358.db2.gz OKXRMDLUMFBKAO-LBPRGKRZSA-N 0 3 277.393 2.457 20 30 CEEDHN COCCN(CCn1ccnc1C)Cc1ccc(C#N)cc1 ZINC000270794578 372955891 /nfs/dbraw/zinc/95/58/91/372955891.db2.gz DAMONEXGCKDEOT-UHFFFAOYSA-N 0 3 298.390 2.212 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ncccc2CC)CC1 ZINC000270880854 372996468 /nfs/dbraw/zinc/99/64/68/372996468.db2.gz CTCZAPMPRNLJQB-UHFFFAOYSA-N 0 3 287.407 2.414 20 30 CEEDHN CS[C@H]1CN(c2ccc(C#N)cc2)C[C@H]1N(C)C ZINC000271135481 373135905 /nfs/dbraw/zinc/13/59/05/373135905.db2.gz WNEIYLWOGBKNDI-KGLIPLIRSA-N 0 3 261.394 2.040 20 30 CEEDHN C#Cc1cccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000272236071 373375110 /nfs/dbraw/zinc/37/51/10/373375110.db2.gz FNKIPQVZSVWDKI-GOEBONIOSA-N 0 3 283.375 2.226 20 30 CEEDHN COc1cc(CN2CC[C@H]([C@@H]3CCOC3)C2)ccc1C#N ZINC000369112494 373337231 /nfs/dbraw/zinc/33/72/31/373337231.db2.gz LZDKCUHLLOPIPJ-JKSUJKDBSA-N 0 3 286.375 2.425 20 30 CEEDHN N#Cc1cccc(CN2CCCC[C@@H]2Cn2ccnn2)c1 ZINC000369378921 373402051 /nfs/dbraw/zinc/40/20/51/373402051.db2.gz JBUFNNRAZBECMR-MRXNPFEDSA-N 0 3 281.363 2.204 20 30 CEEDHN CC(C)[C@H](O)CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272396530 373463226 /nfs/dbraw/zinc/46/32/26/373463226.db2.gz ZXIDFOIGTGZQQP-MRXNPFEDSA-N 0 3 298.390 2.065 20 30 CEEDHN COCC[C@H](COC)N[C@@H](C)c1ccc(C#N)cc1F ZINC000353625818 220201423 /nfs/dbraw/zinc/20/14/23/220201423.db2.gz HBEJRHGNPXPTJO-WCQYABFASA-N 0 3 280.343 2.399 20 30 CEEDHN C#CCCOc1ccc(CN2CC[C@H]([C@H](C)O)C2)cc1 ZINC000272492131 373513219 /nfs/dbraw/zinc/51/32/19/373513219.db2.gz DXLXBCHOTCXTCJ-HOCLYGCPSA-N 0 3 273.376 2.291 20 30 CEEDHN Cc1ccc(CN2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000370120285 373585015 /nfs/dbraw/zinc/58/50/15/373585015.db2.gz HJALGINMMDLQHB-UHFFFAOYSA-N 0 3 281.363 2.295 20 30 CEEDHN N#Cc1cc(CN2CCCC[C@H](CO)C2)ccc1F ZINC000370426364 373654643 /nfs/dbraw/zinc/65/46/43/373654643.db2.gz XNZSYISPQWCUQM-ZDUSSCGKSA-N 0 3 262.328 2.292 20 30 CEEDHN CCO[C@@H]1C[C@H](NCc2cccc(C#N)c2)[C@]12CCCO2 ZINC000272673416 373608249 /nfs/dbraw/zinc/60/82/49/373608249.db2.gz LBZKFNBLPSJWDP-GVDBMIGSSA-N 0 3 286.375 2.374 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H](C)c1ccc(C)s1 ZINC000272832637 373673893 /nfs/dbraw/zinc/67/38/93/373673893.db2.gz IGYJHMOXKBHZJJ-LLVKDONJSA-N 0 3 273.423 2.308 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H](C)[C@H](C)c1ccccc1 ZINC000272838964 373675863 /nfs/dbraw/zinc/67/58/63/373675863.db2.gz JIFBMHVPYUSAKA-KBPBESRZSA-N 0 3 281.421 2.369 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H](C)[C@@H](C)c1ccccc1 ZINC000272838973 373675877 /nfs/dbraw/zinc/67/58/77/373675877.db2.gz JIFBMHVPYUSAKA-ZIAGYGMSSA-N 0 3 281.421 2.369 20 30 CEEDHN C#CCN(CCC(=O)Nc1cccc(F)c1)C1CC1 ZINC000274022369 373783497 /nfs/dbraw/zinc/78/34/97/373783497.db2.gz CGHBSFPLIOBAAC-UHFFFAOYSA-N 0 3 260.312 2.252 20 30 CEEDHN C[C@@]1(NCC(=O)Nc2ccc(C#N)cc2)CCO[C@H]1C1CC1 ZINC000371715378 373957149 /nfs/dbraw/zinc/95/71/49/373957149.db2.gz JWYFJPBBTVVFEQ-DLBZAZTESA-N 0 3 299.374 2.044 20 30 CEEDHN C=CCN(C(C)=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000371590495 373929484 /nfs/dbraw/zinc/92/94/84/373929484.db2.gz NTIHAWCCDUOXHQ-MRXNPFEDSA-N 0 3 258.365 2.295 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000645232463 373935710 /nfs/dbraw/zinc/93/57/10/373935710.db2.gz AJBXPMOVSFZKQN-KCQAQPDRSA-N 0 3 277.412 2.125 20 30 CEEDHN C=CCc1cc(CNCCC(C)(C)O)cc(OC)c1O ZINC000274772369 374044742 /nfs/dbraw/zinc/04/47/42/374044742.db2.gz SCTLCQXIATXECY-UHFFFAOYSA-N 0 3 279.380 2.380 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2ccn(C)c2)CC1 ZINC000277031643 374383377 /nfs/dbraw/zinc/38/33/77/374383377.db2.gz JMNHMNWLDQBZIF-SNAWJCMRSA-N 0 3 287.407 2.195 20 30 CEEDHN N#Cc1ccc(NC[C@@H]2CCCCN2C2CC2)nc1 ZINC000277467413 374531812 /nfs/dbraw/zinc/53/18/12/374531812.db2.gz POQAHXNZGIVFOK-AWEZNQCLSA-N 0 3 256.353 2.382 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@H](O)CCOCC ZINC000277626764 374584043 /nfs/dbraw/zinc/58/40/43/374584043.db2.gz ZOPVAEVZLOCXBL-MRXNPFEDSA-N 0 3 263.381 2.462 20 30 CEEDHN C#CC[C@H](NC(=O)N1CCN2CCC1CC2)c1ccccc1 ZINC000375219663 374646678 /nfs/dbraw/zinc/64/66/78/374646678.db2.gz ABIBDQRAHRVLBR-KRWDZBQOSA-N 0 3 297.402 2.241 20 30 CEEDHN CC#CCN(C[C@@H](O)COc1ccccc1)C(C)C ZINC000277848683 374665177 /nfs/dbraw/zinc/66/51/77/374665177.db2.gz SOCNWBUCNQXGNK-OAHLLOKOSA-N 0 3 261.365 2.160 20 30 CEEDHN CN(C)C/C=C/C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000378355111 375082171 /nfs/dbraw/zinc/08/21/71/375082171.db2.gz MYJMAMROCQYIKO-ONEGZZNKSA-N 0 3 295.386 2.292 20 30 CEEDHN C[C@H](N[C@@H]1CCN(c2ccn(C)n2)C1)c1cccc(C#N)c1 ZINC000378480226 375110902 /nfs/dbraw/zinc/11/09/02/375110902.db2.gz YQRGBTMOVTZOCN-XJKSGUPXSA-N 0 3 295.390 2.221 20 30 CEEDHN Cc1cc(C#N)nc(N[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000280674724 375281205 /nfs/dbraw/zinc/28/12/05/375281205.db2.gz CVJCZLRBTHEKCS-HNNXBMFYSA-N 0 3 293.374 2.343 20 30 CEEDHN CC(C)(C#N)CCCCN1CCSC[C@H]1CO ZINC000388612725 375293287 /nfs/dbraw/zinc/29/32/87/375293287.db2.gz MNBVXSDRQINTAS-GFCCVEGCSA-N 0 3 256.415 2.116 20 30 CEEDHN CC(C)N1CC[C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000389234731 375300003 /nfs/dbraw/zinc/30/00/03/375300003.db2.gz JJRSBLNZIUKUJM-GFCCVEGCSA-N 0 3 274.324 2.361 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc2c1OCO2 ZINC000280747133 375306919 /nfs/dbraw/zinc/30/69/19/375306919.db2.gz XOBKVKFZUSYABM-UKRRQHHQSA-N 0 3 275.348 2.486 20 30 CEEDHN CC[C@H]1[C@@H](CO)CCN1Cc1cccc(C#N)c1F ZINC000386329465 375258029 /nfs/dbraw/zinc/25/80/29/375258029.db2.gz VEXSIFHMKMSCAO-KGLIPLIRSA-N 0 3 262.328 2.290 20 30 CEEDHN C[C@H](Nc1cnc(C#N)cn1)[C@H](c1ccccc1)N(C)C ZINC000280657364 375273660 /nfs/dbraw/zinc/27/36/60/375273660.db2.gz AYWOGVULBCLBLK-BLLLJJGKSA-N 0 3 281.363 2.452 20 30 CEEDHN CNC(=O)[C@@]1(C)CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000281294132 375369249 /nfs/dbraw/zinc/36/92/49/375369249.db2.gz WUVMIZDLNWPNKD-INIZCTEOSA-N 0 3 290.794 2.150 20 30 CEEDHN CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]1C#N)N1CCCCC1 ZINC000408339192 375457831 /nfs/dbraw/zinc/45/78/31/375457831.db2.gz OKPRVLGTPQAAQE-RBSFLKMASA-N 0 3 277.412 2.305 20 30 CEEDHN COc1cc(CN2CCN(C)CC2(C)C)ccc1C#N ZINC000282214182 375430970 /nfs/dbraw/zinc/43/09/70/375430970.db2.gz HNKRLPYHMYJENC-UHFFFAOYSA-N 0 3 273.380 2.093 20 30 CEEDHN C=CCCOCCNCc1cnc(C(C)(C)C)nc1 ZINC000284185800 375824737 /nfs/dbraw/zinc/82/47/37/375824737.db2.gz ATAWQKNDDHNWKM-UHFFFAOYSA-N 0 3 263.385 2.456 20 30 CEEDHN Cc1nsc(N(C)C[C@H]2CCCN(C)C2)c1C#N ZINC000287386437 376221249 /nfs/dbraw/zinc/22/12/49/376221249.db2.gz RLGJIXYBITUXJY-NSHDSACASA-N 0 3 264.398 2.101 20 30 CEEDHN CNC(=O)CC[C@@H]1CCCCN1Cc1ccc(C#N)o1 ZINC000289605703 376416287 /nfs/dbraw/zinc/41/62/87/376416287.db2.gz LALNNOYSZKKTBE-LBPRGKRZSA-N 0 3 275.352 2.032 20 30 CEEDHN CN(C)C1(CNc2ncc(C#N)cc2Cl)CC1 ZINC000419003766 376377892 /nfs/dbraw/zinc/37/78/92/376377892.db2.gz DEQYGJZJCDIITD-UHFFFAOYSA-N 0 3 250.733 2.113 20 30 CEEDHN C=C(C)COc1cc(CN(C)[C@@H](C)CO)ccc1OC ZINC000289409330 376392732 /nfs/dbraw/zinc/39/27/32/376392732.db2.gz HOTMXZVOQRWEFX-ZDUSSCGKSA-N 0 3 279.380 2.463 20 30 CEEDHN C[C@H]1CN(CCC2(C#N)CCCCC2)[C@@H](C)CN1CCO ZINC000419339265 376446016 /nfs/dbraw/zinc/44/60/16/376446016.db2.gz LUFNLIBUULMPNI-HOTGVXAUSA-N 0 3 293.455 2.237 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000264188153 190094630 /nfs/dbraw/zinc/09/46/30/190094630.db2.gz DNVGCEOQMVIYRE-BQYQJAHWSA-N 0 3 297.402 2.372 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCN1C ZINC000264292071 190102136 /nfs/dbraw/zinc/10/21/36/190102136.db2.gz ZEOYWRKOKUKPHF-ZDUSSCGKSA-N 0 3 272.352 2.082 20 30 CEEDHN N#Cc1ccc(OCCN2CC[C@H](O)CC23CCC3)cc1 ZINC000557672667 376576749 /nfs/dbraw/zinc/57/67/49/376576749.db2.gz OKCAHIANQUGION-HNNXBMFYSA-N 0 3 286.375 2.316 20 30 CEEDHN C=CCN(CC=C)C(=O)NC1CCN(CC=C)CC1 ZINC000264373973 190105874 /nfs/dbraw/zinc/10/58/74/190105874.db2.gz RUEZYNOXAHUXFZ-UHFFFAOYSA-N 0 3 263.385 2.020 20 30 CEEDHN COc1cc(CN(C)CCN(C)C2CC2)ccc1C#N ZINC000290308827 376727641 /nfs/dbraw/zinc/72/76/41/376727641.db2.gz BZRPWQYCPMTBJI-UHFFFAOYSA-N 0 3 273.380 2.093 20 30 CEEDHN COc1cc(CN2CCC[C@H]([C@H](C)O)C2)ccc1C#N ZINC000559783521 376693051 /nfs/dbraw/zinc/69/30/51/376693051.db2.gz YAFGZXPIJMGVQP-WFASDCNBSA-N 0 3 274.364 2.160 20 30 CEEDHN CN(C)[C@@H]1CCN(C(=O)Nc2nccn2-c2ccccc2)C1 ZINC000328737361 376888788 /nfs/dbraw/zinc/88/87/88/376888788.db2.gz KEBHKKKYTCHITE-CQSZACIVSA-N 0 3 299.378 2.054 20 30 CEEDHN CN(C[C@@H](O)COc1cc(Cl)cc(C#N)c1)C1CC1 ZINC000290792157 376928206 /nfs/dbraw/zinc/92/82/06/376928206.db2.gz ONYCVJKDXUZNGZ-CYBMUJFWSA-N 0 3 280.755 2.046 20 30 CEEDHN CC(C)[C@H](C(=O)N[C@H]1CNC(=O)C1)N1CCCCC1 ZINC000329308034 376941663 /nfs/dbraw/zinc/94/16/63/376941663.db2.gz ZLCLSVZVGUESDK-DGCLKSJQSA-N 0 3 267.373 2.182 20 30 CEEDHN C[C@H](NC(=O)[C@H](C)OC[C@@H]1CCCO1)C1=CCN(C)CC1 ZINC000329349099 376950982 /nfs/dbraw/zinc/95/09/82/376950982.db2.gz SMFRVZUJOUWYCT-YDHLFZDLSA-N 0 3 296.411 2.177 20 30 CEEDHN Cc1cccc2c1CC[C@H]2NC(=O)[C@@H](N)CCCC#N ZINC000562965928 377038666 /nfs/dbraw/zinc/03/86/66/377038666.db2.gz NBNJNLPHPJLDNX-LSDHHAIUSA-N 0 3 271.364 2.120 20 30 CEEDHN CC[C@@H](C)CN(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000264717637 190131220 /nfs/dbraw/zinc/13/12/20/190131220.db2.gz MKOKQTOMNJGIGX-CYBMUJFWSA-N 0 3 273.380 2.152 20 30 CEEDHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccc(C#N)cn1 ZINC000563357608 377183109 /nfs/dbraw/zinc/18/31/09/377183109.db2.gz WQRMHEWIAWFCQZ-ZBFHGGJFSA-N 0 3 287.363 2.165 20 30 CEEDHN C[C@@H]1CN(c2cccnc2C#N)CCN(C2CCC2)C1 ZINC000292329350 377239590 /nfs/dbraw/zinc/23/95/90/377239590.db2.gz PIUZBHFRVKLTIB-ZDUSSCGKSA-N 0 3 270.380 2.264 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1cccc(Cl)c1 ZINC000264842034 190138227 /nfs/dbraw/zinc/13/82/27/190138227.db2.gz GZJPPWJQZHUCIG-NSHDSACASA-N 0 3 264.756 2.130 20 30 CEEDHN CC#CCN1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291710433 377206340 /nfs/dbraw/zinc/20/63/40/377206340.db2.gz INUYAYKXICSLOL-KRWDZBQOSA-N 0 3 257.377 2.327 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(Cl)cc1 ZINC000264870435 190140616 /nfs/dbraw/zinc/14/06/16/190140616.db2.gz OPLNNHKWCGALSM-LLVKDONJSA-N 0 3 264.756 2.130 20 30 CEEDHN N#CC1(NC(=O)CN2CC[C@@H](C3CCCC3)C2)CCC1 ZINC000563854208 377305571 /nfs/dbraw/zinc/30/55/71/377305571.db2.gz XVPSVRZESTVLPM-CQSZACIVSA-N 0 3 275.396 2.061 20 30 CEEDHN CC(C)[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CCCO1 ZINC000292964582 377371620 /nfs/dbraw/zinc/37/16/20/377371620.db2.gz GDGNVRUIKSIUOA-SJORKVTESA-N 0 3 288.391 2.339 20 30 CEEDHN C=C(CNC(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1ccccc1 ZINC000425790295 377380916 /nfs/dbraw/zinc/38/09/16/377380916.db2.gz ZITWJDIPHNUMMC-DLBZAZTESA-N 0 3 299.418 2.435 20 30 CEEDHN CC(C)[C@@H]1CN(C)CCN1CC#Cc1ccccc1 ZINC000425470770 377350860 /nfs/dbraw/zinc/35/08/60/377350860.db2.gz GQAQOJINSJRCJR-KRWDZBQOSA-N 0 3 256.393 2.310 20 30 CEEDHN COC(=O)[C@@H]1CC12CCN(Cc1cccc(C#N)c1)CC2 ZINC000265061048 190155196 /nfs/dbraw/zinc/15/51/96/190155196.db2.gz NBIBQEHXJBDILO-HNNXBMFYSA-N 0 3 284.359 2.333 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCN(C(C)C)CC1 ZINC000428224886 377489140 /nfs/dbraw/zinc/48/91/40/377489140.db2.gz DGEHBNBGEKDFFO-MRXNPFEDSA-N 0 3 295.471 2.216 20 30 CEEDHN C=CCc1cc(CN2CC[C@@](O)(CC)C2)cc(OC)c1O ZINC000428451167 377493503 /nfs/dbraw/zinc/49/35/03/377493503.db2.gz YVVHFNWSOCWZGW-KRWDZBQOSA-N 0 3 291.391 2.476 20 30 CEEDHN C=CCN(C)CCN(CC)[C@H](C)c1nc(C2CC2)no1 ZINC000429709038 377519868 /nfs/dbraw/zinc/51/98/68/377519868.db2.gz OMHKSVPWVVKHFI-GFCCVEGCSA-N 0 3 278.400 2.448 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC(C)=C[C@H](C)C1 ZINC000430266117 377528807 /nfs/dbraw/zinc/52/88/07/377528807.db2.gz XFDOGGIZPAENHA-ZFWWWQNUSA-N 0 3 262.397 2.474 20 30 CEEDHN C[C@@H](C(=O)NCC1(CC#N)CC1)N1CCCCCC1 ZINC000431154201 377608260 /nfs/dbraw/zinc/60/82/60/377608260.db2.gz UOTFZFYWIGHRDM-ZDUSSCGKSA-N 0 3 263.385 2.061 20 30 CEEDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(C#N)cc1F)CC2 ZINC000332651379 377654252 /nfs/dbraw/zinc/65/42/52/377654252.db2.gz NIOSLAJKYVGNRR-MFKMUULPSA-N 0 3 299.353 2.263 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000432098946 377712956 /nfs/dbraw/zinc/71/29/56/377712956.db2.gz OMZYUYPUQZWWIB-GXTWGEPZSA-N 0 3 279.428 2.371 20 30 CEEDHN C[C@H]1CN(CCCNc2c(C#N)cccc2C#N)CCCO1 ZINC000436377517 377824062 /nfs/dbraw/zinc/82/40/62/377824062.db2.gz NGAAXZYDWBDEFB-AWEZNQCLSA-N 0 3 298.390 2.343 20 30 CEEDHN COC[C@H](NCc1ccc(CC#N)cc1)[C@H]1CCCO1 ZINC000434789647 377800690 /nfs/dbraw/zinc/80/06/90/377800690.db2.gz YZPPFAVIKQJIJT-JKSUJKDBSA-N 0 3 274.364 2.036 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCCSC ZINC000439481410 377927149 /nfs/dbraw/zinc/92/71/49/377927149.db2.gz ZBXWUUOPMSTDKI-ZDUSSCGKSA-N 0 3 272.458 2.484 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCCSC ZINC000439481409 377927212 /nfs/dbraw/zinc/92/72/12/377927212.db2.gz ZBXWUUOPMSTDKI-CYBMUJFWSA-N 0 3 272.458 2.484 20 30 CEEDHN CS[C@H]1CCN(CCOc2ccc(C#N)cc2)C1 ZINC000294177749 377928518 /nfs/dbraw/zinc/92/85/18/377928518.db2.gz DDPURONKDNRBKV-AWEZNQCLSA-N 0 3 262.378 2.374 20 30 CEEDHN CC(C)N(C)c1ccccc1CNC(=O)C(C)C#N ZINC000438467440 377901593 /nfs/dbraw/zinc/90/15/93/377901593.db2.gz SKOYPKBDNSBCTD-LBPRGKRZSA-N 0 3 259.353 2.307 20 30 CEEDHN Cc1cc(C)c(C#N)c(N(C)C[C@H]2CCCN(C)C2)n1 ZINC000265971530 190219804 /nfs/dbraw/zinc/21/98/04/190219804.db2.gz KXLWYDXQINFOOM-AWEZNQCLSA-N 0 3 272.396 2.348 20 30 CEEDHN CCN1C[C@@H](C)N(CCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000346174695 217827561 /nfs/dbraw/zinc/82/75/61/217827561.db2.gz HIAQNENNDFUWKJ-LSDHHAIUSA-N 0 3 287.407 2.352 20 30 CEEDHN C#Cc1ccccc1CC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000295243403 378068674 /nfs/dbraw/zinc/06/86/74/378068674.db2.gz DEIZZRPLQHVNPZ-HNNXBMFYSA-N 0 3 296.414 2.153 20 30 CEEDHN C=CC[C@@H]1N(C(=O)C(C)S(C)(=O)=O)CCCC1(C)C ZINC000443872294 378074044 /nfs/dbraw/zinc/07/40/44/378074044.db2.gz ZQNAWLIIJBJWSI-NEPJUHHUSA-N 0 3 287.425 2.013 20 30 CEEDHN C#CCN(Cc1ccccc1)C[C@H]1CCNC(=O)CC1 ZINC000295337963 378111808 /nfs/dbraw/zinc/11/18/08/378111808.db2.gz PQKZTYPWSNQLGH-MRXNPFEDSA-N 0 3 270.376 2.038 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc2c(c1)OCCCCO2 ZINC000449235023 378199252 /nfs/dbraw/zinc/19/92/52/378199252.db2.gz DTHNGRZWYKPNON-CQSZACIVSA-N 0 3 277.364 2.265 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cnn(-c2ccc(OC)cc2)c1 ZINC000449517325 378215046 /nfs/dbraw/zinc/21/50/46/378215046.db2.gz FHVMHLUQLBEUCK-SJORKVTESA-N 0 3 299.374 2.314 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc2c(c(OC)c1)OCO2 ZINC000449548692 378216513 /nfs/dbraw/zinc/21/65/13/378216513.db2.gz PTJPUKYUKJVRLD-OLZOCXBDSA-N 0 3 291.347 2.247 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)NCCCCC#N ZINC000447969671 378166433 /nfs/dbraw/zinc/16/64/33/378166433.db2.gz YEVOKPSZSRKZDU-CYBMUJFWSA-N 0 3 280.416 2.100 20 30 CEEDHN C=CCn1c(C2CC2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000295956059 378368213 /nfs/dbraw/zinc/36/82/13/378368213.db2.gz MOTZMIPLLSEFHP-CYBMUJFWSA-N 0 3 289.427 2.262 20 30 CEEDHN C[C@@H]1[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])CCCN1C ZINC000450433221 378415482 /nfs/dbraw/zinc/41/54/82/378415482.db2.gz DLPSMODADGXQOZ-ZYHUDNBSSA-N 0 3 274.324 2.361 20 30 CEEDHN CC[C@@H](CNc1nnc(C)c(C)c1C#N)N1CCCC1 ZINC000298486048 378742523 /nfs/dbraw/zinc/74/25/23/378742523.db2.gz WGFDQFABDSYWQX-ZDUSSCGKSA-N 0 3 273.384 2.251 20 30 CEEDHN CCN(CC(=O)NCc1ccc(C#N)cc1)C1CCCC1 ZINC000298709936 378809056 /nfs/dbraw/zinc/80/90/56/378809056.db2.gz AESVZOSCPXDWHF-UHFFFAOYSA-N 0 3 285.391 2.439 20 30 CEEDHN Cc1nnc(N[C@@H](C)CN2CCC[C@@H](C)C2)c(C#N)c1C ZINC000299105844 378901292 /nfs/dbraw/zinc/90/12/92/378901292.db2.gz VZLJKHNGIBAZSX-NEPJUHHUSA-N 0 3 287.411 2.497 20 30 CEEDHN C#CCN(CC)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000299169148 378923788 /nfs/dbraw/zinc/92/37/88/378923788.db2.gz QTSABWRTYJKQBE-SJLPKXTDSA-N 0 3 287.403 2.397 20 30 CEEDHN CC(C)[C@H]1CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000299232396 378938354 /nfs/dbraw/zinc/93/83/54/378938354.db2.gz QHNUREJZXJQHNH-MRXNPFEDSA-N 0 3 285.391 2.295 20 30 CEEDHN C=CCn1nnnc1SCCN(C)Cc1ccccc1 ZINC000278607759 194067281 /nfs/dbraw/zinc/06/72/81/194067281.db2.gz RLNHSIAXJGJFFD-UHFFFAOYSA-N 0 3 289.408 2.083 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)cc2OC)C[C@H]1C ZINC000347298138 218181306 /nfs/dbraw/zinc/18/13/06/218181306.db2.gz ZLMGTWDBPGOCNP-ZIAGYGMSSA-N 0 3 287.407 2.481 20 30 CEEDHN CC#CCN1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000497109501 379052029 /nfs/dbraw/zinc/05/20/29/379052029.db2.gz DIPCSLUICLYMSJ-UONOGXRCSA-N 0 3 278.396 2.199 20 30 CEEDHN C#Cc1ccc(CN2CCC(CC(=O)NC)CC2)cc1 ZINC000278892937 194199727 /nfs/dbraw/zinc/19/97/27/194199727.db2.gz HZSOTGOZWUVAJM-UHFFFAOYSA-N 0 3 270.376 2.016 20 30 CEEDHN N#Cc1cccc(NC(=O)N2CCC[C@H]2CN2CCCC2)n1 ZINC000518767382 379404066 /nfs/dbraw/zinc/40/40/66/379404066.db2.gz KFPOQVJIAHVBHL-AWEZNQCLSA-N 0 3 299.378 2.045 20 30 CEEDHN Cc1ccc(NCCN2CCC[C@@H](C)C2)nc1C#N ZINC000302622031 379409576 /nfs/dbraw/zinc/40/95/76/379409576.db2.gz HCSADCHOVHMUAW-GFCCVEGCSA-N 0 3 258.369 2.406 20 30 CEEDHN CC(C)(C)N1CCCN(C(=O)NCCCCC#N)CC1 ZINC000520479576 379476375 /nfs/dbraw/zinc/47/63/75/379476375.db2.gz OFDOLJMMLYTUFU-UHFFFAOYSA-N 0 3 280.416 2.196 20 30 CEEDHN N#CC1(C(=O)NCCN2CCCCCC2)CCCCC1 ZINC000303053921 379485446 /nfs/dbraw/zinc/48/54/46/379485446.db2.gz VSWJAWBSPBIOBP-UHFFFAOYSA-N 0 3 277.412 2.453 20 30 CEEDHN CN(Cc1ccccc1)C[C@H](O)COc1ccccc1C#N ZINC000303045889 379486006 /nfs/dbraw/zinc/48/60/06/379486006.db2.gz GZLWDRFYXJVHSI-KRWDZBQOSA-N 0 3 296.370 2.430 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000347711903 218330470 /nfs/dbraw/zinc/33/04/70/218330470.db2.gz ZLYLCKUPVWEBJI-OKILXGFUSA-N 0 3 257.381 2.473 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)CCc1ccc(C#N)cc1 ZINC000347774141 218352138 /nfs/dbraw/zinc/35/21/38/218352138.db2.gz IPTNQDUSTQMKBA-QGZVFWFLSA-N 0 3 299.418 2.481 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1CCCN(C(C)C)CC1 ZINC000528398226 379956817 /nfs/dbraw/zinc/95/68/17/379956817.db2.gz YMZLWOIOYPSQJQ-UHFFFAOYSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCN1CC[C@H](N(C)CC2CC(C)(C)C2)C1=O ZINC000528494654 379988281 /nfs/dbraw/zinc/98/82/81/379988281.db2.gz KHUNPQZHORNJST-ZDUSSCGKSA-N 0 3 250.386 2.141 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCN1CCCC[C@@H]1CC ZINC000469399796 380070968 /nfs/dbraw/zinc/07/09/68/380070968.db2.gz LXGQPVQPROCFJU-ARFHVFGLSA-N 0 3 294.439 2.348 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1Cc2c1cccc2Cl ZINC000528919963 380135261 /nfs/dbraw/zinc/13/52/61/380135261.db2.gz NWINDSGEKGHXMH-NEPJUHHUSA-N 0 3 290.750 2.213 20 30 CEEDHN CCc1nnc(N[C@@H]2CCN(C(C)C)C2)c(C#N)c1CC ZINC000268192516 190384934 /nfs/dbraw/zinc/38/49/34/190384934.db2.gz WLZCKGRDBFFTBG-GFCCVEGCSA-N 0 3 287.411 2.368 20 30 CEEDHN C=CCCCC(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000530889781 380204970 /nfs/dbraw/zinc/20/49/70/380204970.db2.gz SSVLOCMTUIKBPC-UHFFFAOYSA-N 0 3 288.395 2.128 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000529429898 380174491 /nfs/dbraw/zinc/17/44/91/380174491.db2.gz YSQWKVOBNQRJFV-OAHLLOKOSA-N 0 3 277.412 2.261 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2nccnc2C#N)CN1Cc1ccccc1 ZINC000268212203 190386779 /nfs/dbraw/zinc/38/67/79/190386779.db2.gz ZUAKVDHXAPCJAX-UKRRQHHQSA-N 0 3 293.374 2.423 20 30 CEEDHN C[C@H](CNC(=O)Cc1cccc(C#N)c1)N1CCCC[C@@H]1C ZINC000530909679 380206286 /nfs/dbraw/zinc/20/62/86/380206286.db2.gz DFTYIJBVDNDDNR-LSDHHAIUSA-N 0 3 299.418 2.480 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000530335473 380200268 /nfs/dbraw/zinc/20/02/68/380200268.db2.gz VYVRZRVKLXVNLT-MCIONIFRSA-N 0 3 275.396 2.059 20 30 CEEDHN CC(C)NC(=O)C(C#N)c1nccc2ccccc21 ZINC000334266627 380262939 /nfs/dbraw/zinc/26/29/39/380262939.db2.gz NTYHSGUGPBBQFR-ZDUSSCGKSA-N 0 3 253.305 2.367 20 30 CEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C1(C#N)CC(C)C1 ZINC000532064954 380209899 /nfs/dbraw/zinc/20/98/99/380209899.db2.gz MOZRILBLNXSMFT-ILTLLKDXSA-N 0 3 277.412 2.163 20 30 CEEDHN C=CCC(CC=C)C(=O)NC[C@H](C)N1CCCC1 ZINC000532343632 380214785 /nfs/dbraw/zinc/21/47/85/380214785.db2.gz HGWWAVOZONNVJF-ZDUSSCGKSA-N 0 3 250.386 2.355 20 30 CEEDHN CC(C#N)C(=O)N1CCC(N(C)c2ccccc2)CC1 ZINC000334141556 380241403 /nfs/dbraw/zinc/24/14/03/380241403.db2.gz KXLAPNNLPAIVBS-CYBMUJFWSA-N 0 3 271.364 2.273 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)N1CCC(CC#N)CC1 ZINC000541981803 380293399 /nfs/dbraw/zinc/29/33/99/380293399.db2.gz UVLLMQJUYIDGAC-AWEZNQCLSA-N 0 3 263.385 2.013 20 30 CEEDHN C#CC(C)(C)N(C)C[C@H](O)COc1ccccc1C ZINC000279328327 194386940 /nfs/dbraw/zinc/38/69/40/194386940.db2.gz SXZUSXIYAOQYEH-AWEZNQCLSA-N 0 3 261.365 2.078 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000494591105 381159623 /nfs/dbraw/zinc/15/96/23/381159623.db2.gz UPMFWAXEQFQYEN-CHWSQXEVSA-N 0 3 252.358 2.258 20 30 CEEDHN C=CCCC[C@H](C)N1CCN2C(=O)OCC[C@H]2C1 ZINC000494591108 381160170 /nfs/dbraw/zinc/16/01/70/381160170.db2.gz UPMFWAXEQFQYEN-STQMWFEESA-N 0 3 252.358 2.258 20 30 CEEDHN C=CCN(C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000495509936 381175364 /nfs/dbraw/zinc/17/53/64/381175364.db2.gz FSDCEMITROWIAV-GFCCVEGCSA-N 0 3 254.374 2.408 20 30 CEEDHN C=CCOCCCN1CCCC[C@@H]1COC(=O)N(C)C ZINC000495749785 381184208 /nfs/dbraw/zinc/18/42/08/381184208.db2.gz NKOAHBMMYIYOFH-CQSZACIVSA-N 0 3 284.400 2.132 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495913641 381190166 /nfs/dbraw/zinc/19/01/66/381190166.db2.gz WSLXNUCJVFMVPQ-GRYCIOLGSA-N 0 3 295.383 2.050 20 30 CEEDHN C[C@@H](C#N)CNCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000496133405 381199742 /nfs/dbraw/zinc/19/97/42/381199742.db2.gz LYTLUHUEODAGHC-NSHDSACASA-N 0 3 267.373 2.041 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496641818 381220946 /nfs/dbraw/zinc/22/09/46/381220946.db2.gz GCVPPMPHESPXMX-CYBMUJFWSA-N 0 3 266.385 2.246 20 30 CEEDHN C[C@H]1C[C@@H](C=Nn2cnnc2)CCN1C(=O)OC(C)(C)C ZINC000497027428 381238314 /nfs/dbraw/zinc/23/83/14/381238314.db2.gz SCGWKMUSLYJHII-RYUDHWBXSA-N 0 3 293.371 2.148 20 30 CEEDHN C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)[C@H](C)CN1 ZINC000334835552 207160003 /nfs/dbraw/zinc/16/00/03/207160003.db2.gz LXSUQVNKEPUVDK-NXEZZACHSA-N 0 3 292.770 2.426 20 30 CEEDHN Cc1cc(C#N)cc(N2C(=O)NC(CC(F)(F)F)C2=O)c1 ZINC000334835352 207159319 /nfs/dbraw/zinc/15/93/19/207159319.db2.gz GFZBSBLLHXRLHK-JTQLQIEISA-N 0 3 297.236 2.244 20 30 CEEDHN N#Cc1cscc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000335316173 208174466 /nfs/dbraw/zinc/17/44/66/208174466.db2.gz FYCWZXKBFDPFSX-CYBMUJFWSA-N 0 3 289.404 2.320 20 30 CEEDHN C[C@@H](NCCC1(O)CCOCC1)c1ccc(C#N)c(F)c1 ZINC000353879521 220385124 /nfs/dbraw/zinc/38/51/24/220385124.db2.gz OMJKNMXJXPADJD-GFCCVEGCSA-N 0 3 292.354 2.280 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1CC(=O)c1ccco1 ZINC000344342084 533110707 /nfs/dbraw/zinc/11/07/07/533110707.db2.gz WHAUHNRIKILCSF-WDEREUQCSA-N 0 3 260.293 2.003 20 30 CEEDHN CC(C#N)C(=O)N1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000336576820 533111245 /nfs/dbraw/zinc/11/12/45/533111245.db2.gz QMPKGESHQIMEHH-RYUDHWBXSA-N 0 3 275.327 2.022 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000347119403 533118445 /nfs/dbraw/zinc/11/84/45/533118445.db2.gz WXDQUUQZKCDCKH-SWLSCSKDSA-N 0 3 265.316 2.447 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000335956375 533118498 /nfs/dbraw/zinc/11/84/98/533118498.db2.gz LZTZIZXKOLKOKI-CABZTGNLSA-N 0 3 262.284 2.315 20 30 CEEDHN OCC[C@@H]1CCC[C@H]1NCC#Cc1ccc(F)cc1 ZINC000279177689 285264310 /nfs/dbraw/zinc/26/43/10/285264310.db2.gz CORMJWHJHSZERT-GOEBONIOSA-N 0 3 261.340 2.318 20 30 CEEDHN C=CCOc1cccc(NC[C@H](O)CN(C)C2CC2)c1 ZINC000574870769 335053677 /nfs/dbraw/zinc/05/36/77/335053677.db2.gz QVALMOCZJGPNCZ-HNNXBMFYSA-N 0 3 276.380 2.118 20 30 CEEDHN CC[C@@H]1[C@H](C)CCN1CC(=O)NC1(C#N)CCCCC1 ZINC000185622584 262306641 /nfs/dbraw/zinc/30/66/41/262306641.db2.gz XZFFFLMHSFZXNB-ZIAGYGMSSA-N 0 3 277.412 2.449 20 30 CEEDHN CC[C@H](N[C@@H]1CCN(C(C)=O)C1)c1ccc(C#N)cc1 ZINC000447583454 260065488 /nfs/dbraw/zinc/06/54/88/260065488.db2.gz BMVSPCBMEMYJTD-CVEARBPZSA-N 0 3 271.364 2.220 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412039258 533496109 /nfs/dbraw/zinc/49/61/09/533496109.db2.gz HWQDMBXYKMOVJD-IMJJTQAJSA-N 0 3 286.375 2.160 20 30 CEEDHN CSCC[C@@](C)(C#N)NC(=O)C1CCN(C2CC2)CC1 ZINC000344672466 533622612 /nfs/dbraw/zinc/62/26/12/533622612.db2.gz MZJPGTKRTOMWLB-HNNXBMFYSA-N 0 3 295.452 2.012 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@@]1(C)CCCCN1 ZINC000237766125 131056183 /nfs/dbraw/zinc/05/61/83/131056183.db2.gz OZEDTEHCUSOWMO-QGZVFWFLSA-N 0 3 288.391 2.400 20 30 CEEDHN CC[C@@H](C)CN1CCN(c2ncccc2C#N)CC1 ZINC000088491355 135054649 /nfs/dbraw/zinc/05/46/49/135054649.db2.gz VYEJGWZLKSNSTL-CYBMUJFWSA-N 0 3 258.369 2.121 20 30 CEEDHN CC[C@H](C)CN1CCN(c2ncccc2C#N)CC1 ZINC000088491356 135054885 /nfs/dbraw/zinc/05/48/85/135054885.db2.gz VYEJGWZLKSNSTL-ZDUSSCGKSA-N 0 3 258.369 2.121 20 30 CEEDHN C=C(C)CN1CCC(Nc2nccn(C3CC3)c2=O)CC1 ZINC000302015411 394471285 /nfs/dbraw/zinc/47/12/85/394471285.db2.gz BYTHAJRUHNOCFC-UHFFFAOYSA-N 0 3 288.395 2.031 20 30 CEEDHN N#Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CCCC3)C2)c1 ZINC000302222479 394475175 /nfs/dbraw/zinc/47/51/75/394475175.db2.gz SWYKNKMAVKETGP-CYBMUJFWSA-N 0 3 286.335 2.141 20 30 CEEDHN Cc1cc(N[C@@H]2CCN(C3CC3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413075542 394478926 /nfs/dbraw/zinc/47/89/26/394478926.db2.gz PTICVSOMMVSGOP-GFCCVEGCSA-N 0 3 286.335 2.424 20 30 CEEDHN CCC(C)(C)CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000232877089 394481064 /nfs/dbraw/zinc/48/10/64/394481064.db2.gz NKZPNEXQVSHDJP-UHFFFAOYSA-N 0 3 294.420 2.358 20 30 CEEDHN CO[C@H]1CN(CCCCC(C)(C)C#N)C[C@@H]1OC ZINC000234871013 394482831 /nfs/dbraw/zinc/48/28/31/394482831.db2.gz RICPWMBXSWOZMX-STQMWFEESA-N 0 3 254.374 2.052 20 30 CEEDHN COc1cc(OC)c(OC)cc1CNCCCCC#N ZINC000237308388 394490860 /nfs/dbraw/zinc/49/08/60/394490860.db2.gz NRGGTYFDGQDXCJ-UHFFFAOYSA-N 0 3 278.352 2.496 20 30 CEEDHN C[C@H](O)[C@@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000305156464 394496059 /nfs/dbraw/zinc/49/60/59/394496059.db2.gz CPUVSOKMBMZCKT-DZGCQCFKSA-N 0 3 274.364 2.030 20 30 CEEDHN CN1CC[C@H]2[C@@H](CCCN2c2ncc(C#N)cc2F)C1 ZINC000413192368 394501250 /nfs/dbraw/zinc/50/12/50/394501250.db2.gz IOZWBILIBWHMGY-JSGCOSHPSA-N 0 3 274.343 2.013 20 30 CEEDHN C[C@@H](F)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000356702127 394591062 /nfs/dbraw/zinc/59/10/62/394591062.db2.gz HXJXUKMAUURUDD-RISCZKNCSA-N 0 3 273.311 2.105 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000248703693 394545585 /nfs/dbraw/zinc/54/55/85/394545585.db2.gz ANPAPXVZQDNWGC-IIAWOOMASA-N 0 3 298.390 2.249 20 30 CEEDHN C[C@H]1c2ccccc2CCN1CCC(=O)N(C)CCC#N ZINC000092796377 394663240 /nfs/dbraw/zinc/66/32/40/394663240.db2.gz APLSUAORESHKIO-AWEZNQCLSA-N 0 3 285.391 2.368 20 30 CEEDHN C[C@@H](CNC(=O)c1csc(=O)[nH]1)N1CCC(C)CC1 ZINC000329951663 394597048 /nfs/dbraw/zinc/59/70/48/394597048.db2.gz MYCOOEAYGBVTTG-JTQLQIEISA-N 0 3 283.397 2.274 20 30 CEEDHN Cc1coc(C)c1C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000330469970 394613749 /nfs/dbraw/zinc/61/37/49/394613749.db2.gz LYCAVVVLMVXIAR-AWEZNQCLSA-N 0 3 294.395 2.294 20 30 CEEDHN CCCNC(=O)NC(=O)CN(C)C1CCC(CC)CC1 ZINC000330618315 394622431 /nfs/dbraw/zinc/62/24/31/394622431.db2.gz XPZOCQNMEDXQGL-UHFFFAOYSA-N 0 3 283.416 2.327 20 30 CEEDHN CC[C@@H]1CC[C@H](C)N1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000330640245 394623253 /nfs/dbraw/zinc/62/32/53/394623253.db2.gz CIYLJJIHXVPDRF-GUTXKFCHSA-N 0 3 265.401 2.304 20 30 CEEDHN CCCc1nc(C)c(CNC(=N)Nc2ccccn2)o1 ZINC000262715921 394624159 /nfs/dbraw/zinc/62/41/59/394624159.db2.gz RRQVGNTXONUERI-UHFFFAOYSA-N 0 3 273.340 2.257 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(CC#N)cc1 ZINC000270337183 394730760 /nfs/dbraw/zinc/73/07/60/394730760.db2.gz PDGIIRHAGZONDW-BBRMVZONSA-N 0 3 285.391 2.165 20 30 CEEDHN C=CCCCC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000359182751 394743952 /nfs/dbraw/zinc/74/39/52/394743952.db2.gz CHGVPFSRWNTUBT-AWEZNQCLSA-N 0 3 250.386 2.430 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000334343985 394676429 /nfs/dbraw/zinc/67/64/29/394676429.db2.gz RWFFSBOIQVTACF-QWHCGFSZSA-N 0 3 286.379 2.085 20 30 CEEDHN CCNC(NCc1c([O-])ccc2c1CCCC2)=[NH+]CC ZINC000267379708 394677519 /nfs/dbraw/zinc/67/75/19/394677519.db2.gz ASMSNRNNOUCXIQ-UHFFFAOYSA-N 0 3 275.396 2.346 20 30 CEEDHN CC(C#N)C(=O)NC1CCC2(CCOCC2)CC1 ZINC000334491924 394689658 /nfs/dbraw/zinc/68/96/58/394689658.db2.gz HMGDKVOKCPEIFE-LLVKDONJSA-N 0 3 250.342 2.002 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000334594691 394699321 /nfs/dbraw/zinc/69/93/21/394699321.db2.gz HNFLLUFPUIHJMF-INIZCTEOSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCOc1ccc(CN2C[C@H](C)C[C@H](O)C2)cc1 ZINC000414526853 394746507 /nfs/dbraw/zinc/74/65/07/394746507.db2.gz PTVMFSOBFARMRU-HIFRSBDPSA-N 0 3 261.365 2.454 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)c2ccc(CC#N)cc2)C1 ZINC000270190252 394728222 /nfs/dbraw/zinc/72/82/22/394728222.db2.gz AEPAQMCQFUILSZ-CQSZACIVSA-N 0 3 285.391 2.214 20 30 CEEDHN CC(C#N)C(=O)NCc1cc(F)c(Cl)cc1F ZINC000335244218 394752969 /nfs/dbraw/zinc/75/29/69/394752969.db2.gz YKMISAHWFCZFQY-LURJTMIESA-N 0 3 258.655 2.394 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CCN1C ZINC000335292551 394756979 /nfs/dbraw/zinc/75/69/79/394756979.db2.gz DNHVFCYNCNDOSD-CJNGLKHVSA-N 0 3 297.402 2.189 20 30 CEEDHN CNC(=O)C[C@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000271495663 394758197 /nfs/dbraw/zinc/75/81/97/394758197.db2.gz LFOWDAIFUVRDBA-GXTWGEPZSA-N 0 3 259.353 2.146 20 30 CEEDHN C=CCC[C@@H](O)CN[C@@H](CO)c1ccc(CC)cc1 ZINC000359630949 394766010 /nfs/dbraw/zinc/76/60/10/394766010.db2.gz YPXVFEGHOVRICZ-CVEARBPZSA-N 0 3 263.381 2.199 20 30 CEEDHN CN(C[C@H](O)c1ccc(C#N)cc1)C[C@@H]1CCCC[C@H]1O ZINC000272461994 394773657 /nfs/dbraw/zinc/77/36/57/394773657.db2.gz DPDXRMCVFUCTKT-BBWFWOEESA-N 0 3 288.391 2.075 20 30 CEEDHN C[C@H](C#N)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000360086690 394789147 /nfs/dbraw/zinc/78/91/47/394789147.db2.gz ZNIRIAPPTQMXBT-GFCCVEGCSA-N 0 3 293.798 2.390 20 30 CEEDHN C=CCOc1ccc(CN(C)C[C@@H](C)C(=O)OC)cc1 ZINC000120996608 394789631 /nfs/dbraw/zinc/78/96/31/394789631.db2.gz KIEKKQZDWFWCHM-CYBMUJFWSA-N 0 3 277.364 2.492 20 30 CEEDHN C#CCN(C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)C1CC1 ZINC000274121258 394791899 /nfs/dbraw/zinc/79/18/99/394791899.db2.gz MYCZSVCIQROTKV-IRXDYDNUSA-N 0 3 297.402 2.239 20 30 CEEDHN CCC[C@H]1CN(CCCSCC#N)CCN1CCOC ZINC000121761794 394804522 /nfs/dbraw/zinc/80/45/22/394804522.db2.gz GBOOBAFZNNHTHB-HNNXBMFYSA-N 0 3 299.484 2.066 20 30 CEEDHN C=CCC(CC=C)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000360872506 394809450 /nfs/dbraw/zinc/80/94/50/394809450.db2.gz MQAMDRKGAFTSCT-MRXNPFEDSA-N 0 3 292.423 2.124 20 30 CEEDHN CC1(C)CCCN(C(=O)C2CCN(C3CC3)CC2)[C@H]1C#N ZINC000335929711 394812236 /nfs/dbraw/zinc/81/22/36/394812236.db2.gz AXXTWRQJHGZPFA-HNNXBMFYSA-N 0 3 289.423 2.402 20 30 CEEDHN C[C@H](C(=O)N1CCC(F)(C#N)CC1)N1[C@H](C)CC[C@@H]1C ZINC000359367393 394749774 /nfs/dbraw/zinc/74/97/74/394749774.db2.gz ZQIHIYBWTRJLII-FRRDWIJNSA-N 0 3 281.375 2.102 20 30 CEEDHN N#Cc1ccc2ncc(CN(C[C@@H]3CCOC3)C3CC3)n2c1 ZINC000129954415 394877754 /nfs/dbraw/zinc/87/77/54/394877754.db2.gz OUHWPBVCZJCQDE-AWEZNQCLSA-N 0 3 296.374 2.207 20 30 CEEDHN CC(C)N1CCCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000336246971 394836488 /nfs/dbraw/zinc/83/64/88/394836488.db2.gz MSONOMDFNAHAGF-QGZVFWFLSA-N 0 3 289.423 2.403 20 30 CEEDHN C[C@H]1CCN(C)CCN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000336284495 394839623 /nfs/dbraw/zinc/83/96/23/394839623.db2.gz PLYCZODXNPNNHX-AWEZNQCLSA-N 0 3 297.402 2.142 20 30 CEEDHN C=C(C)CCN1[C@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000338361681 394917362 /nfs/dbraw/zinc/91/73/62/394917362.db2.gz RWCDJEIWWUECEM-RFGFWPKPSA-N 0 3 267.369 2.136 20 30 CEEDHN CCCCN1CCCC[C@@H]1CNC(=O)C(C)(C)C#N ZINC000338421937 394919407 /nfs/dbraw/zinc/91/94/07/394919407.db2.gz IYVUJUQNYCFPBK-CYBMUJFWSA-N 0 3 265.401 2.307 20 30 CEEDHN C=CCCCN(C)Cc1ccnn1CCCOC ZINC000282747464 394924050 /nfs/dbraw/zinc/92/40/50/394924050.db2.gz GOGHAAGSZOCSGE-UHFFFAOYSA-N 0 3 251.374 2.318 20 30 CEEDHN C=C(C)Cn1c(C)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000283434894 394933843 /nfs/dbraw/zinc/93/38/43/394933843.db2.gz YNCONPSLHFAJKZ-OAHLLOKOSA-N 0 3 289.427 2.227 20 30 CEEDHN N#CCCOCCN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000338961281 394934605 /nfs/dbraw/zinc/93/46/05/394934605.db2.gz LESWLJIMSARKRI-AWEZNQCLSA-N 0 3 288.347 2.482 20 30 CEEDHN N#CCCOCCN1CCS[C@H]2CCCC[C@@H]21 ZINC000339014561 394936470 /nfs/dbraw/zinc/93/64/70/394936470.db2.gz CSIYRAATCJTBKT-STQMWFEESA-N 0 3 254.399 2.277 20 30 CEEDHN CCCCN(CC(=O)N(CC)CCC#N)C1CC1 ZINC000339092662 394941969 /nfs/dbraw/zinc/94/19/69/394941969.db2.gz YTRMDEJLBIJNHG-UHFFFAOYSA-N 0 3 251.374 2.013 20 30 CEEDHN C=CCOCCN1CCC[C@](CO)(c2ccccc2)C1 ZINC000339165116 394947518 /nfs/dbraw/zinc/94/75/18/394947518.db2.gz QHOKYTGODAPBMU-KRWDZBQOSA-N 0 3 275.392 2.215 20 30 CEEDHN CCOC(=O)C(C)(C)C1CCN(CCOCCC#N)CC1 ZINC000339189860 394949416 /nfs/dbraw/zinc/94/94/16/394949416.db2.gz ULTDSHQXHIKXNR-UHFFFAOYSA-N 0 3 296.411 2.218 20 30 CEEDHN N#CCCOCCN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000339204760 394951429 /nfs/dbraw/zinc/95/14/29/394951429.db2.gz OWBPYYBBEPTUMZ-QGZVFWFLSA-N 0 3 286.375 2.386 20 30 CEEDHN C=CCCOCCNC(=O)Nc1cccc(CNC)c1 ZINC000415940683 394983976 /nfs/dbraw/zinc/98/39/76/394983976.db2.gz FLCGXVGMXBDDTA-UHFFFAOYSA-N 0 3 277.368 2.120 20 30 CEEDHN C=CCC[C@@H](NCC[C@H](O)COC)c1ccco1 ZINC000286018017 395000681 /nfs/dbraw/zinc/00/06/81/395000681.db2.gz INOYSWRNZNLHQZ-QWHCGFSZSA-N 0 3 253.342 2.274 20 30 CEEDHN C#CC(C)(C)N(C)C[C@@H](O)COc1ccccc1Cl ZINC000286291437 395018860 /nfs/dbraw/zinc/01/88/60/395018860.db2.gz VBAUAUQPZVCYOB-GFCCVEGCSA-N 0 3 281.783 2.423 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000342853951 395024318 /nfs/dbraw/zinc/02/43/18/395024318.db2.gz PEYKYNYJEXLHSJ-YPMHNXCESA-N 0 3 250.386 2.188 20 30 CEEDHN CCN1CCN(CC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000286574617 395024932 /nfs/dbraw/zinc/02/49/32/395024932.db2.gz PVMSFUOJTKCIFH-AWEZNQCLSA-N 0 3 260.356 2.203 20 30 CEEDHN N#Cc1ccncc1N1CCN(C2CCCC2)CC1 ZINC000135604348 394967051 /nfs/dbraw/zinc/96/70/51/394967051.db2.gz YXUCQCMIMVYXCK-UHFFFAOYSA-N 0 3 256.353 2.018 20 30 CEEDHN CC(C#N)C(=O)N(CCCO)Cc1cccc(Cl)c1 ZINC000339834067 394972843 /nfs/dbraw/zinc/97/28/43/394972843.db2.gz LNWFTOXVSNFFKZ-LLVKDONJSA-N 0 3 280.755 2.211 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H]1CCCN1C1CCOCC1 ZINC000150958256 394975458 /nfs/dbraw/zinc/97/54/58/394975458.db2.gz RWDLKUZQMQRSDF-OAHLLOKOSA-N 0 3 280.412 2.054 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC[C@@H]2OC)CC1 ZINC000339999751 394976686 /nfs/dbraw/zinc/97/66/86/394976686.db2.gz QNRBDIUFCNYART-CVEARBPZSA-N 0 3 294.439 2.348 20 30 CEEDHN CC#CCCN1CCCC[C@@H]1Cn1nc(C)nc1C ZINC000375848628 395100146 /nfs/dbraw/zinc/10/01/46/395100146.db2.gz LEVGKTQCGOVMGA-OAHLLOKOSA-N 0 3 260.385 2.163 20 30 CEEDHN C#CCOc1ccc(CNCC2=CCCOC2)cc1 ZINC000288434222 395060887 /nfs/dbraw/zinc/06/08/87/395060887.db2.gz LDZBAGUCZPRNMA-UHFFFAOYSA-N 0 3 257.333 2.135 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)[C@@H]1CCCC[C@H]1O ZINC000426199741 395074681 /nfs/dbraw/zinc/07/46/81/395074681.db2.gz SVDSBTRHISBUPH-HUUCEWRRSA-N 0 3 274.364 2.302 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000374187989 395076468 /nfs/dbraw/zinc/07/64/68/395076468.db2.gz MYVJVMFHGMVYHA-OAHLLOKOSA-N 0 3 294.439 2.492 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H]2CCC[C@@H]21 ZINC000426475309 395076675 /nfs/dbraw/zinc/07/66/75/395076675.db2.gz XWFHYYLTHFOZMN-KBPBESRZSA-N 0 3 250.386 2.285 20 30 CEEDHN CC(C#N)C(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000345795109 395077243 /nfs/dbraw/zinc/07/72/43/395077243.db2.gz VJRKVRPTDXSGSX-JTQLQIEISA-N 0 3 293.754 2.335 20 30 CEEDHN CC#CCN1CCC[C@@H]1[C@H](O)c1ccc(OC)cc1 ZINC000374424923 395082660 /nfs/dbraw/zinc/08/26/60/395082660.db2.gz XVOOCJAQDXALNF-HZPDHXFCSA-N 0 3 259.349 2.216 20 30 CEEDHN C=CCOCCCC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346195544 395090943 /nfs/dbraw/zinc/09/09/43/395090943.db2.gz QCNZUXXKWCTMRP-BZUAXINKSA-N 0 3 294.439 2.158 20 30 CEEDHN C[C@H](CN(C)C)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000346225317 395091776 /nfs/dbraw/zinc/09/17/76/395091776.db2.gz OECDTPOWUMLJRP-HIFRSBDPSA-N 0 3 273.380 2.140 20 30 CEEDHN CC(C#N)C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000346301365 395094692 /nfs/dbraw/zinc/09/46/92/395094692.db2.gz PRTZYJODDPSHRT-DGCLKSJQSA-N 0 3 250.342 2.096 20 30 CEEDHN CC[C@@](C)(NC(=O)C(C)C#N)c1nc(C)cs1 ZINC000346360776 395096547 /nfs/dbraw/zinc/09/65/47/395096547.db2.gz BVCHYIXQHGZANZ-QPUJVOFHSA-N 0 3 251.355 2.353 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCN1C ZINC000286902882 395031091 /nfs/dbraw/zinc/03/10/91/395031091.db2.gz FKHNQNCFVNHUIS-IRXDYDNUSA-N 0 3 299.418 2.014 20 30 CEEDHN CN(C)[C@@H](CC(=O)N1CC(C)(C#N)C1)c1ccccc1 ZINC000416220392 395033813 /nfs/dbraw/zinc/03/38/13/395033813.db2.gz ABPISDCJDLOKLC-AWEZNQCLSA-N 0 3 271.364 2.051 20 30 CEEDHN C#CCC(CC#C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000287333768 395038232 /nfs/dbraw/zinc/03/82/32/395038232.db2.gz FYSOHFRPPXXBNJ-INIZCTEOSA-N 0 3 296.414 2.286 20 30 CEEDHN C#Cc1ccc(CN[C@@H]2C[C@@H](OCC)[C@]23CCCO3)cc1 ZINC000290537069 395107513 /nfs/dbraw/zinc/10/75/13/395107513.db2.gz YNNLBBHYBVKLBS-KURKYZTESA-N 0 3 285.387 2.484 20 30 CEEDHN CCN(CC(=O)NC1(C#N)CCC1)C1CCCCC1 ZINC000346830681 395109575 /nfs/dbraw/zinc/10/95/75/395109575.db2.gz HMNQLAUOIREUIH-UHFFFAOYSA-N 0 3 263.385 2.203 20 30 CEEDHN COC(=O)N1CCC[C@@H]([C@H](C)NCc2ccc(C#N)o2)C1 ZINC000495536728 395150300 /nfs/dbraw/zinc/15/03/00/395150300.db2.gz BWTWSSYNKIUTSS-NWDGAFQWSA-N 0 3 291.351 2.108 20 30 CEEDHN C=CCOc1ccc(CN(CC)C[C@H](C)O)cc1OC ZINC000348713123 395150282 /nfs/dbraw/zinc/15/02/82/395150282.db2.gz JVQLMPCGFBRSJS-ZDUSSCGKSA-N 0 3 279.380 2.463 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@H](C)[C@H](O)C2)c1 ZINC000349359277 395166139 /nfs/dbraw/zinc/16/61/39/395166139.db2.gz ZKZMMFQRIWSKHT-XJKSGUPXSA-N 0 3 261.365 2.454 20 30 CEEDHN C[C@@H](CS(=O)(=O)c1ccccc1)NCCCCC#N ZINC000183269305 395254199 /nfs/dbraw/zinc/25/41/99/395254199.db2.gz LBIBCCYKMXWIRX-ZDUSSCGKSA-N 0 3 280.393 2.132 20 30 CEEDHN CN(C)C1(CNc2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000419010758 395246509 /nfs/dbraw/zinc/24/65/09/395246509.db2.gz QRBRVSMVOQWWPF-UHFFFAOYSA-N 0 3 289.770 2.365 20 30 CEEDHN C=CCN(Cc1cccs1)C[C@H](O)CN(C)C1CC1 ZINC000351388480 395213963 /nfs/dbraw/zinc/21/39/63/395213963.db2.gz RLJNLJWCFPUALC-CQSZACIVSA-N 0 3 280.437 2.191 20 30 CEEDHN CC1(C)OC[C@@H]2C[C@@]21NCc1ccc(C#N)c(F)c1 ZINC000527766303 395280468 /nfs/dbraw/zinc/28/04/68/395280468.db2.gz YYBPXMMNGPXFIZ-SWLSCSKDSA-N 0 3 260.312 2.354 20 30 CEEDHN COc1cc(CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)ccc1C#N ZINC000527803671 395281835 /nfs/dbraw/zinc/28/18/35/395281835.db2.gz IAYGDWJXLWCCQU-YRORDHRNSA-N 0 3 274.364 2.468 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](CCC(N)=O)C1 ZINC000186201024 395286758 /nfs/dbraw/zinc/28/67/58/395286758.db2.gz HXYFUXKQQCVFGB-CQSZACIVSA-N 0 3 285.391 2.344 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(Cc2ccccc2)CC1 ZINC000293856314 395254850 /nfs/dbraw/zinc/25/48/50/395254850.db2.gz AUDIQZUEQVINHA-UHFFFAOYSA-N 0 3 284.403 2.081 20 30 CEEDHN C=CCSCCNCc1ccc2c(c1)oc(=O)n2C ZINC000352449194 395255504 /nfs/dbraw/zinc/25/55/04/395255504.db2.gz LQIYNSLFILMGHY-UHFFFAOYSA-N 0 3 278.377 2.140 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(Cl)c(OC)c1 ZINC000293899189 395256450 /nfs/dbraw/zinc/25/64/50/395256450.db2.gz DZTMSNVLZMFDAR-UHFFFAOYSA-N 0 3 294.782 2.034 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000293910614 395257702 /nfs/dbraw/zinc/25/77/02/395257702.db2.gz GBKBACPJEFZYKF-AWEZNQCLSA-N 0 3 290.382 2.076 20 30 CEEDHN C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(OCC#N)cc1 ZINC000183570024 395259691 /nfs/dbraw/zinc/25/96/91/395259691.db2.gz KKWPHQUEQITEDW-VNHYZAJKSA-N 0 3 272.348 2.177 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C[C@@H]2C[C@H]2C)CC1 ZINC000354254450 395323787 /nfs/dbraw/zinc/32/37/87/395323787.db2.gz KPIUMLQCCBBCMN-OLZOCXBDSA-N 0 3 250.386 2.189 20 30 CEEDHN CNC(=O)C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442867296 395397500 /nfs/dbraw/zinc/39/75/00/395397500.db2.gz NUFNTQUVMQLAAR-YUELXQCFSA-N 0 3 271.364 2.146 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000412380433 395357227 /nfs/dbraw/zinc/35/72/27/395357227.db2.gz QZRATJRYNNOPBN-QMIVOQANSA-N 0 3 280.412 2.098 20 30 CEEDHN CCN1CC[C@@H](NC(=O)c2cccc(SCC#N)c2)C1 ZINC000412834041 395367707 /nfs/dbraw/zinc/36/77/07/395367707.db2.gz FZPYSFJGOWGPPJ-CYBMUJFWSA-N 0 3 289.404 2.126 20 30 CEEDHN CN(CC#Cc1ccccc1)CCCn1ccnc1 ZINC000192136904 395373293 /nfs/dbraw/zinc/37/32/93/395373293.db2.gz KDERNKGTXOWQJY-UHFFFAOYSA-N 0 3 253.349 2.257 20 30 CEEDHN CN(CCN1CCCC1)C(=O)NCC1CCC(C#N)CC1 ZINC000442716233 395392481 /nfs/dbraw/zinc/39/24/81/395392481.db2.gz BRTLZXQZPTZHSG-UHFFFAOYSA-N 0 3 292.427 2.054 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCCn2c3ccccc3[nH]c2=O)C1 ZINC000442856801 395396339 /nfs/dbraw/zinc/39/63/39/395396339.db2.gz ZHGLXSDLSLAFLN-NWDGAFQWSA-N 0 3 270.336 2.024 20 30 CEEDHN COC1(CO)CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411644702 395333746 /nfs/dbraw/zinc/33/37/46/395333746.db2.gz RLAMTBHIZYLPQZ-UHFFFAOYSA-N 0 3 280.412 2.324 20 30 CEEDHN CCCN(CCN1CCCC1)C[C@@H](C#N)CCC#N ZINC000411720411 395337596 /nfs/dbraw/zinc/33/75/96/395337596.db2.gz PSSSYJALRINMMR-OAHLLOKOSA-N 0 3 262.401 2.238 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000411777081 395339689 /nfs/dbraw/zinc/33/96/89/395339689.db2.gz ZTZLSWIKHOXPGN-OLZOCXBDSA-N 0 3 265.401 2.292 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435044444 395346296 /nfs/dbraw/zinc/34/62/96/395346296.db2.gz UTPOIKNBKLUNDP-INIZCTEOSA-N 0 3 297.402 2.190 20 30 CEEDHN Cc1cc(CNCC[C@H](C)[S@@](C)=O)ccc1C#N ZINC000443984774 395408580 /nfs/dbraw/zinc/40/85/80/395408580.db2.gz SWCICABKZYZUGZ-KPZWWZAWSA-N 0 3 264.394 2.113 20 30 CEEDHN CC[C@H]1CCCCN1CCNC[C@@H](C#N)CCC#N ZINC000567891820 395539653 /nfs/dbraw/zinc/53/96/53/395539653.db2.gz UZPMFNRMGGLYTG-CABCVRRESA-N 0 3 262.401 2.284 20 30 CEEDHN CN1CC[C@H](NCc2ccc(C#N)cn2)[C@@H]1c1ccccc1 ZINC000566017866 395495813 /nfs/dbraw/zinc/49/58/13/395495813.db2.gz MWQQCSDZHDGYAN-ROUUACIJSA-N 0 3 292.386 2.488 20 30 CEEDHN CC(C)CSCCNCc1cnc2c(C#N)cnn2c1 ZINC000573847330 395621136 /nfs/dbraw/zinc/62/11/36/395621136.db2.gz MMVIXSBYFPRWHO-UHFFFAOYSA-N 0 3 289.408 2.080 20 30 CEEDHN CO[C@H]1C[C@H](N(C)Cc2cc(C#N)n(C)c2)C12CCC2 ZINC000449630115 395557873 /nfs/dbraw/zinc/55/78/73/395557873.db2.gz HAYUJOIRXWCBFP-GJZGRUSLSA-N 0 3 273.380 2.286 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000450383028 395571462 /nfs/dbraw/zinc/57/14/62/395571462.db2.gz YRVKMNBNCDRJBR-YGRLFVJLSA-N 0 3 286.335 2.361 20 30 CEEDHN Cc1cc(C#N)cc(N2CCN(C3CC3)C[C@@H](C)C2)n1 ZINC000450549048 395572481 /nfs/dbraw/zinc/57/24/81/395572481.db2.gz UYCLRAJFHGOILD-GFCCVEGCSA-N 0 3 270.380 2.182 20 30 CEEDHN CC(C)(C#N)CCCCN1CCC(N2CN=NC2=O)CC1 ZINC000572131580 395585628 /nfs/dbraw/zinc/58/56/28/395585628.db2.gz HRBUSHOPVPXYGQ-UHFFFAOYSA-N 0 3 291.399 2.341 20 30 CEEDHN CO[C@H]1CCN(CCOc2ccccc2C#N)C[C@@H]1C ZINC000451547292 395622474 /nfs/dbraw/zinc/62/24/74/395622474.db2.gz QPEHCWPFKMZZAD-ZFWWWQNUSA-N 0 3 274.364 2.294 20 30 CEEDHN CC/C=C\CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000452606958 395626821 /nfs/dbraw/zinc/62/68/21/395626821.db2.gz SGDFMQSLRBCTFF-ABCZVMIZSA-N 0 3 267.332 2.323 20 30 CEEDHN C[C@@H](C(=O)NC(C)(C)CN(C)C)c1cccc(C#N)c1 ZINC000457242028 395635445 /nfs/dbraw/zinc/63/54/45/395635445.db2.gz PAADYJUYQMOLMI-GFCCVEGCSA-N 0 3 273.380 2.118 20 30 CEEDHN CC1CCN(CCNc2ncc3c(c2C#N)CCC3)CC1 ZINC000575384308 395662582 /nfs/dbraw/zinc/66/25/82/395662582.db2.gz VISUEIZLCJWPMF-UHFFFAOYSA-N 0 3 284.407 2.008 20 30 CEEDHN Cc1cc(CN2CCN(C)[C@H](C)[C@@H]2C)ccc1C#N ZINC000488157934 395668225 /nfs/dbraw/zinc/66/82/25/395668225.db2.gz FHWXPJVUOLCPAM-KGLIPLIRSA-N 0 3 257.381 2.391 20 30 CEEDHN C#CCN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000491438991 395669579 /nfs/dbraw/zinc/66/95/79/395669579.db2.gz HJSDVUFOPZKDKN-ZBFHGGJFSA-N 0 3 287.407 2.261 20 30 CEEDHN C#CCN(CCCc1cncn1C)Cc1ccccc1 ZINC000491475338 395669943 /nfs/dbraw/zinc/66/99/43/395669943.db2.gz VUYBTCIOSSGCDV-UHFFFAOYSA-N 0 3 267.376 2.488 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000491545694 395670021 /nfs/dbraw/zinc/67/00/21/395670021.db2.gz JBALQPNPRZECGM-ZNFPLGDCSA-N 0 3 283.375 2.172 20 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CEEDHN C=CCC(CC=C)C(=O)N1CCOC[C@H]1[C@H]1CCCN1C ZINC000646445181 396347338 /nfs/dbraw/zinc/34/73/38/396347338.db2.gz QDLVHWUVLQXTJF-CVEARBPZSA-N 0 3 292.423 2.076 20 30 CEEDHN CN(CCC(=O)NC1CCCC1)Cc1cccc(C#N)c1 ZINC000060467914 400239755 /nfs/dbraw/zinc/23/97/55/400239755.db2.gz ARXSIFHVMDMNLX-UHFFFAOYSA-N 0 3 285.391 2.439 20 30 CEEDHN COC[C@H]1CCCCN1CCOc1ccc(C#N)cc1 ZINC000307778949 400340235 /nfs/dbraw/zinc/34/02/35/400340235.db2.gz XVFQXICPKWIKCX-OAHLLOKOSA-N 0 3 274.364 2.438 20 30 CEEDHN CC(C#N)C(=O)N1CC(c2nc3ccccc3s2)C1 ZINC000336367626 400355436 /nfs/dbraw/zinc/35/54/36/400355436.db2.gz ZLLROPOZNMIREB-SECBINFHSA-N 0 3 271.345 2.382 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)[C@H](C)c2cccc(C#N)c2)C1 ZINC000360020971 155190994 /nfs/dbraw/zinc/19/09/94/155190994.db2.gz BDCDIYZLSXRVRR-CZUORRHYSA-N 0 3 285.391 2.262 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(C)CCN1CCCCC1 ZINC000651133962 401275922 /nfs/dbraw/zinc/27/59/22/401275922.db2.gz LEBWNIIMFKPWKI-UHFFFAOYSA-N 0 3 267.417 2.326 20 30 CEEDHN C=CC[C@H]1CC[C@H](NCc2nnc3n2CCCC3)C1 ZINC000651950225 401423117 /nfs/dbraw/zinc/42/31/17/401423117.db2.gz LRQNKDVQVUPDDO-STQMWFEESA-N 0 3 260.385 2.449 20 30 CEEDHN C=CCOc1ccccc1CNC[C@H]1CC(=O)N(CC)C1 ZINC000652001318 401431114 /nfs/dbraw/zinc/43/11/14/401431114.db2.gz RGSHQZJBVTVFOG-CQSZACIVSA-N 0 3 288.391 2.209 20 30 CEEDHN C=CCOc1cccc(CN[C@H](CO)CCF)c1 ZINC000652015096 401432075 /nfs/dbraw/zinc/43/20/75/401432075.db2.gz UHITXIBKENXEAC-ZDUSSCGKSA-N 0 3 253.317 2.062 20 30 CEEDHN C=CCOc1ccccc1CNCC[C@]1(O)CCCOC1 ZINC000652040010 401439128 /nfs/dbraw/zinc/43/91/28/401439128.db2.gz UYJOTIUPHFVNII-QGZVFWFLSA-N 0 3 291.391 2.273 20 30 CEEDHN C[C@@H](C(=O)N(C)CC1CCN(C)CC1)c1cccc(C#N)c1 ZINC000360156580 155229860 /nfs/dbraw/zinc/22/98/60/155229860.db2.gz QOWUIZRHTZWBAN-CQSZACIVSA-N 0 3 299.418 2.462 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000360228482 155248973 /nfs/dbraw/zinc/24/89/73/155248973.db2.gz SVQIYKZIGBGRLS-RYUDHWBXSA-N 0 3 289.379 2.452 20 30 CEEDHN C[C@H](C(=O)NCC1=CCN(C)CC1)c1cccc(C#N)c1 ZINC000360767931 155366860 /nfs/dbraw/zinc/36/68/60/155366860.db2.gz YODYMZQVATWEHO-ZDUSSCGKSA-N 0 3 283.375 2.040 20 30 CEEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc2c(c1)OCO2 ZINC000189583318 153101315 /nfs/dbraw/zinc/10/13/15/153101315.db2.gz GAUYZPKKFGNXCQ-NSHDSACASA-N 0 3 283.331 2.476 20 30 CEEDHN C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(C#N)cc1 ZINC000363575458 156033475 /nfs/dbraw/zinc/03/34/75/156033475.db2.gz CRMKCLUUGVPEKJ-XJKSGUPXSA-N 0 3 295.390 2.221 20 30 CEEDHN CC(C)[C@@]1(CO)CCN(Cc2ccccc2C#N)C1 ZINC000368102082 156284733 /nfs/dbraw/zinc/28/47/33/156284733.db2.gz WWKQILRKRFSRJZ-INIZCTEOSA-N 0 3 258.365 2.399 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CCCO[C@@H]3CCC[C@@H]32)cc1 ZINC000368451570 156346743 /nfs/dbraw/zinc/34/67/43/156346743.db2.gz TUGHFMSVSUWBSU-GVDBMIGSSA-N 0 3 286.375 2.235 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@H]3CCCc4cn[nH]c43)n2c1 ZINC000375267514 157068552 /nfs/dbraw/zinc/06/85/52/157068552.db2.gz KBWPSTWEOVEXAC-AWEZNQCLSA-N 0 3 292.346 2.096 20 30 CEEDHN N#Cc1ccc(OCCN2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000376057440 157181797 /nfs/dbraw/zinc/18/17/97/157181797.db2.gz ZBFCDJUDBVDSEH-GOEBONIOSA-N 0 3 272.348 2.048 20 30 CEEDHN C[C@@H](C#N)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000345798392 286736933 /nfs/dbraw/zinc/73/69/33/286736933.db2.gz NCMJFTIPQYRZHW-ZFWWWQNUSA-N 0 3 271.364 2.099 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCCN(C2CC2)CC1 ZINC000179657293 165288700 /nfs/dbraw/zinc/28/87/00/165288700.db2.gz TYTJSMAMZNLBPJ-UHFFFAOYSA-N 0 3 285.391 2.237 20 30 CEEDHN C[C@@H](NCc1cccc(C#N)c1)C(C)(C)n1cncn1 ZINC000284321443 196029860 /nfs/dbraw/zinc/02/98/60/196029860.db2.gz ZVOTVHQOTGTEHX-GFCCVEGCSA-N 0 3 269.352 2.063 20 30 CEEDHN N#Cc1cccc(CNC[C@H]2COc3ccccc3O2)c1 ZINC000020137766 171025037 /nfs/dbraw/zinc/02/50/37/171025037.db2.gz TXIYOXVVIGOYRP-HNNXBMFYSA-N 0 3 280.327 2.488 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)c1cc(C#N)ccc1Cl ZINC000285033545 196182602 /nfs/dbraw/zinc/18/26/02/196182602.db2.gz PDKIVGUTEHIKQA-GFCCVEGCSA-N 0 3 291.782 2.426 20 30 CEEDHN CC(C)C(=O)NCCN[C@H](C)c1ccc(OCC#N)cc1 ZINC000037219897 173037853 /nfs/dbraw/zinc/03/78/53/173037853.db2.gz RVGNVCDBJLLSCD-CYBMUJFWSA-N 0 3 289.379 2.012 20 30 CEEDHN COC1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000037266331 173075872 /nfs/dbraw/zinc/07/58/72/173075872.db2.gz ITZTVUYTKUGGST-UHFFFAOYSA-N 0 3 274.364 2.438 20 30 CEEDHN C[C@H](Cn1ccnc1)N[C@H](C)c1cccc(C#N)c1 ZINC000037320413 173121246 /nfs/dbraw/zinc/12/12/46/173121246.db2.gz KABJXLYUWGWMOG-CHWSQXEVSA-N 0 3 254.337 2.494 20 30 CEEDHN CO[C@H](C)CN(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000285749821 196386985 /nfs/dbraw/zinc/38/69/85/196386985.db2.gz QVBUUEKHXUVCKW-CYBMUJFWSA-N 0 3 298.390 2.425 20 30 CEEDHN CC(C)COC[C@@H](O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000037502427 173238987 /nfs/dbraw/zinc/23/89/87/173238987.db2.gz RZJNHGSQJAXUJK-BBRMVZONSA-N 0 3 276.380 2.242 20 30 CEEDHN C=CCCn1cc(CNCCC[C@H]2CCCCO2)nn1 ZINC000657436280 414936807 /nfs/dbraw/zinc/93/68/07/414936807.db2.gz VJFVDUQTTPUVFB-OAHLLOKOSA-N 0 3 278.400 2.293 20 30 CEEDHN C=CCOc1ccc(CNC[C@H](OC)[C@H]2CCOC2)cc1 ZINC000657543396 414995348 /nfs/dbraw/zinc/99/53/48/414995348.db2.gz LLBSOGOKTCIMLA-RDJZCZTQSA-N 0 3 291.391 2.393 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000660858277 415010185 /nfs/dbraw/zinc/01/01/85/415010185.db2.gz HAWJOQPTTFLAEP-KFWWJZLASA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCC1(NC(=O)N[C@H]2CCCN(C)C2)CCCC1 ZINC000663775023 415045094 /nfs/dbraw/zinc/04/50/94/415045094.db2.gz SHDKCBQFMKYDIK-ZDUSSCGKSA-N 0 3 265.401 2.269 20 30 CEEDHN C=CCN(C[C@@H](O)CC1CCCC1)[C@H](C)COC ZINC000661240931 415150642 /nfs/dbraw/zinc/15/06/42/415150642.db2.gz TXHOPCSKKAVPNG-HIFRSBDPSA-N 0 3 255.402 2.451 20 30 CEEDHN C=CCN(CCO[C@H]1CCCCO1)[C@@H](C)COC ZINC000661240848 415152584 /nfs/dbraw/zinc/15/25/84/415152584.db2.gz SHWUICOEHXZWLB-KBPBESRZSA-N 0 3 257.374 2.053 20 30 CEEDHN C=CCN(C[C@H](O)COc1ccccc1C)[C@H](C)COC ZINC000661246280 415157442 /nfs/dbraw/zinc/15/74/42/415157442.db2.gz HYWDUKAGDBXLRX-CVEARBPZSA-N 0 3 293.407 2.258 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccon1 ZINC000661119256 415103256 /nfs/dbraw/zinc/10/32/56/415103256.db2.gz QVYHPYTZNQFUHA-NEPJUHHUSA-N 0 3 263.341 2.338 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H](C)Cn1cncn1 ZINC000657877726 415111059 /nfs/dbraw/zinc/11/10/59/415111059.db2.gz CNRFZZZYZRLGQI-ZDUSSCGKSA-N 0 3 272.352 2.021 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCN(C3CC3)C2)c(F)c1 ZINC000044722886 175237582 /nfs/dbraw/zinc/23/75/82/175237582.db2.gz XCJYYPXBCAMGCA-CYBMUJFWSA-N 0 3 259.328 2.024 20 30 CEEDHN CC(C#N)C(=O)NCc1cccc(Br)c1 ZINC000044824196 175259378 /nfs/dbraw/zinc/25/93/78/175259378.db2.gz NSFQGIFAFGLPGT-QMMMGPOBSA-N 0 3 267.126 2.225 20 30 CEEDHN C=CC[C@H](CO)CN[C@H](C)c1cn2ccccc2n1 ZINC000655737126 415422499 /nfs/dbraw/zinc/42/24/99/415422499.db2.gz VTZZRKKIPVKUJS-OLZOCXBDSA-N 0 3 259.353 2.170 20 30 CEEDHN C=CCN(C(=O)Nc1ccccc1CNC)[C@@H](C)COC ZINC000659020043 415389870 /nfs/dbraw/zinc/38/98/70/415389870.db2.gz SLCKHEYVTJYTNC-ZDUSSCGKSA-N 0 3 291.395 2.461 20 30 CEEDHN COCC#CCN[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661837443 415491609 /nfs/dbraw/zinc/49/16/09/415491609.db2.gz BOESAOFHLJVVQZ-UONOGXRCSA-N 0 3 265.397 2.352 20 30 CEEDHN C=CCN(CC(=O)N1CCO[C@H]2CCCC[C@H]21)C(C)(C)C ZINC000661755102 415445657 /nfs/dbraw/zinc/44/56/57/415445657.db2.gz KAECACKBAUCOPB-CABCVRRESA-N 0 3 294.439 2.443 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(CC=C)C(C)(C)C ZINC000661754778 415446433 /nfs/dbraw/zinc/44/64/33/415446433.db2.gz ANAZIICFUNKOKH-UHFFFAOYSA-N 0 3 250.386 2.474 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1NCC1(C)C ZINC000659329152 415520020 /nfs/dbraw/zinc/52/00/20/415520020.db2.gz LWLUEVJRXDTOSQ-AGIUHOORSA-N 0 3 250.386 2.236 20 30 CEEDHN C=C(C)CCNC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000665021080 415552657 /nfs/dbraw/zinc/55/26/57/415552657.db2.gz SGENSZKVSBFSIR-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@H](C2CCC2)C1 ZINC000662041093 415593273 /nfs/dbraw/zinc/59/32/73/415593273.db2.gz XZWQRRQXEBEUOY-GXTWGEPZSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCC1(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)CCCC1 ZINC000659501122 415598569 /nfs/dbraw/zinc/59/85/69/415598569.db2.gz JXZDILFOEAJIRE-CHWSQXEVSA-N 0 3 283.391 2.204 20 30 CEEDHN CC(C)CN1CCO[C@H](CNCc2ccc(C#N)cc2)C1 ZINC000071122072 176035238 /nfs/dbraw/zinc/03/52/38/176035238.db2.gz VUHAFFMMOSIPIU-QGZVFWFLSA-N 0 3 287.407 2.005 20 30 CEEDHN CCC#C[C@H](C)N1CCC(O[C@H]2CCOC2)CC1 ZINC000656860544 415891031 /nfs/dbraw/zinc/89/10/31/415891031.db2.gz JKFUACHRHKHDBK-ZFWWWQNUSA-N 0 3 251.370 2.058 20 30 CEEDHN N#CCOc1ccc(CN2CCCC[C@@H]2CCO)cc1 ZINC000077012505 177147500 /nfs/dbraw/zinc/14/75/00/177147500.db2.gz KPCHNYKVQDEENM-OAHLLOKOSA-N 0 3 274.364 2.326 20 30 CEEDHN C=CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000078360118 177335498 /nfs/dbraw/zinc/33/54/98/177335498.db2.gz JRPXCXAIJWEPAZ-HNNXBMFYSA-N 0 3 273.380 2.309 20 30 CEEDHN CN(C)[C@@H]1CCCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000334608429 225106622 /nfs/dbraw/zinc/10/66/22/225106622.db2.gz UQNXWUYOAVUVJM-YMAMQOFZSA-N 0 3 292.427 2.052 20 30 CEEDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000334867052 225341521 /nfs/dbraw/zinc/34/15/21/225341521.db2.gz RFYHKSACLXXCRN-VHSXEESVSA-N 0 3 292.770 2.426 20 30 CEEDHN CN(C)Cc1ccc(C(=O)N(C)CC(C)(C)C#N)cc1 ZINC000353216568 228070907 /nfs/dbraw/zinc/07/09/07/228070907.db2.gz WAZBRJKUFGSNIC-UHFFFAOYSA-N 0 3 273.380 2.370 20 30 CEEDHN Cc1cccc(NCCNC(=O)[C@@H]2CCCN2C2CC2)n1 ZINC000330230393 228073901 /nfs/dbraw/zinc/07/39/01/228073901.db2.gz QODAJKRPBCWRRF-AWEZNQCLSA-N 0 3 288.395 2.385 20 30 CEEDHN Cc1nc(C(C)(C)NC(=O)C2CCN(C3CC3)CC2)no1 ZINC000330273113 228087801 /nfs/dbraw/zinc/08/78/01/228087801.db2.gz YSBYAFNNIPUNNS-UHFFFAOYSA-N 0 3 292.383 2.444 20 30 CEEDHN COc1cc2c(cc1Cl)CN(C(=O)C(C)C#N)CC2 ZINC000335989320 228175583 /nfs/dbraw/zinc/17/55/83/228175583.db2.gz WEOWBGMAGPWPFH-VIFPVBQESA-N 0 3 278.739 2.393 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000352155172 228188473 /nfs/dbraw/zinc/18/84/73/228188473.db2.gz CQRCZOCUXVXLHL-OCCSQVGLSA-N 0 3 290.338 2.493 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000333585751 228205641 /nfs/dbraw/zinc/20/56/41/228205641.db2.gz OKLPAEVRSJPUAA-SMDDNHRTSA-N 0 3 284.363 2.146 20 30 CEEDHN C=CCCNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000665942551 419485499 /nfs/dbraw/zinc/48/54/99/419485499.db2.gz GVRIYRYEPJUMOB-OAHLLOKOSA-N 0 3 291.395 2.173 20 30 CEEDHN C=C(C)CN(CC)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000667795591 419807123 /nfs/dbraw/zinc/80/71/23/419807123.db2.gz HZJXZCPXYCDAQR-UHFFFAOYSA-N 0 3 274.368 2.157 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCCCOC)C(C)C ZINC000298614676 260159424 /nfs/dbraw/zinc/15/94/24/260159424.db2.gz KDDKLXZTPPYUHO-OAHLLOKOSA-N 0 3 297.443 2.021 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1C[C@H](C)C[C@H](C)C1 ZINC000408017322 260172044 /nfs/dbraw/zinc/17/20/44/260172044.db2.gz MCKGKIXMOMTALC-CTASWTNQSA-N 0 3 279.428 2.407 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(N(C)C)c(C)c2)CC1 ZINC000299133730 260173481 /nfs/dbraw/zinc/17/34/81/260173481.db2.gz FVFAZZSCZKXVOM-UHFFFAOYSA-N 0 3 299.418 2.345 20 30 CEEDHN C=CCCCCN1CCC(NS(=O)(=O)CCC)CC1 ZINC000517853413 260311544 /nfs/dbraw/zinc/31/15/44/260311544.db2.gz WBXYQMJFBVNLIU-UHFFFAOYSA-N 0 3 288.457 2.137 20 30 CEEDHN CC#CCN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000157504528 260845623 /nfs/dbraw/zinc/84/56/23/260845623.db2.gz ICODIJZQNFSVBQ-AWEZNQCLSA-N 0 3 256.349 2.360 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(C#N)CC23CCCC3)CCN1C ZINC000449983780 261062572 /nfs/dbraw/zinc/06/25/72/261062572.db2.gz DECBMLGEDAGNHW-JKIFEVAISA-N 0 3 289.423 2.402 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000448889958 261121294 /nfs/dbraw/zinc/12/12/94/261121294.db2.gz FCNFPIBHRJNDBS-XHSDSOJGSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCC1 ZINC000249654894 261256547 /nfs/dbraw/zinc/25/65/47/261256547.db2.gz VCKVVGXVWMGMCQ-KGLIPLIRSA-N 0 3 262.397 2.428 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(CC1CC1)C1CCC1 ZINC000361575633 261345995 /nfs/dbraw/zinc/34/59/95/261345995.db2.gz CGRAUGNXGCCFBS-UHFFFAOYSA-N 0 3 262.397 2.452 20 30 CEEDHN C[C@H](NCCC(=O)N(C)CCC#N)c1cccs1 ZINC000182553812 261943535 /nfs/dbraw/zinc/94/35/35/261943535.db2.gz SVWXFXNVWIBEDS-NSHDSACASA-N 0 3 265.382 2.161 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NCC(=O)NCCc2ccccc2)C1 ZINC000193089648 262216194 /nfs/dbraw/zinc/21/61/94/262216194.db2.gz ARAQUOLDGFDSRG-HZPDHXFCSA-N 0 3 285.391 2.017 20 30 CEEDHN C=CCOc1ccc(CNC[C@](C)(O)CSC)cc1 ZINC000120619608 262220204 /nfs/dbraw/zinc/22/02/04/262220204.db2.gz NTIYAFLICHAPGT-HNNXBMFYSA-N 0 3 281.421 2.455 20 30 CEEDHN C[C@H]1CCNC(=O)[C@H]1NCc1ccccc1C(C)(C)C#N ZINC000193637457 262225103 /nfs/dbraw/zinc/22/51/03/262225103.db2.gz HXLQRHOBQNOGAN-WFASDCNBSA-N 0 3 285.391 2.102 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H]1C1CCC1 ZINC000365111469 262279024 /nfs/dbraw/zinc/27/90/24/262279024.db2.gz WGKAKAWIFLMNRA-GDBMZVCRSA-N 0 3 277.412 2.305 20 30 CEEDHN N#CCCCCN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000306104686 262279064 /nfs/dbraw/zinc/27/90/64/262279064.db2.gz ROPUHWYMHWTHNF-NSHDSACASA-N 0 3 264.291 2.460 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC1(N(C)C)CCC1 ZINC000186955229 262331063 /nfs/dbraw/zinc/33/10/63/262331063.db2.gz VVYQZXNTPUUJKC-HNNXBMFYSA-N 0 3 295.471 2.216 20 30 CEEDHN C=CCNC(=O)CN1CCC2(C1)CCC(C)CC2 ZINC000365258106 262355699 /nfs/dbraw/zinc/35/56/99/262355699.db2.gz BMSXFMXKVZRMAX-UHFFFAOYSA-N 0 3 250.386 2.191 20 30 CEEDHN C=C(C)CNC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000488561737 262361890 /nfs/dbraw/zinc/36/18/90/262361890.db2.gz GVVOHRFAOOEUHY-STQMWFEESA-N 0 3 253.390 2.125 20 30 CEEDHN CC(C)(C)OC(=O)N1CC[C@H](NCC2(CC#N)CC2)C1 ZINC000497040543 262363315 /nfs/dbraw/zinc/36/33/15/262363315.db2.gz RDVJNFDCEFANAO-LBPRGKRZSA-N 0 3 279.384 2.279 20 30 CEEDHN C[C@H]1CN(CC(C)(C)CCC#N)C[C@@]2(CCOC2)O1 ZINC000373491962 262370289 /nfs/dbraw/zinc/37/02/89/262370289.db2.gz AAHPPNCVOYTOOF-DZGCQCFKSA-N 0 3 266.385 2.196 20 30 CEEDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C1(C#N)CCCC1 ZINC000365638119 262376867 /nfs/dbraw/zinc/37/68/67/262376867.db2.gz XKZOGCHJKVVEIX-KGLIPLIRSA-N 0 3 275.396 2.156 20 30 CEEDHN Cc1nsc(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1C#N ZINC000488751289 262388823 /nfs/dbraw/zinc/38/88/23/262388823.db2.gz MTIRRLJDMXTVKR-COPLHBTASA-N 0 3 290.436 2.490 20 30 CEEDHN C[C@H](CCC#N)N(C)C[C@H](O)COCc1ccccc1 ZINC000276265964 263035493 /nfs/dbraw/zinc/03/54/93/263035493.db2.gz BWMBIIMZBZSDNB-ZBFHGGJFSA-N 0 3 276.380 2.188 20 30 CEEDHN Cn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CCC[C@@H](C#N)C1 ZINC000278443934 263047960 /nfs/dbraw/zinc/04/79/60/263047960.db2.gz WODJSVXHUQCLAO-QPSCCSFWSA-N 0 3 288.395 2.312 20 30 CEEDHN C[C@@H]1C[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280840191 263064583 /nfs/dbraw/zinc/06/45/83/263064583.db2.gz OZOCNAFUAIVWOX-DFBGVHRSSA-N 0 3 267.332 2.013 20 30 CEEDHN Cn1cc2c(n1)CCC[C@@H]2N[C@H]1CCC[C@H](C#N)C1 ZINC000282582372 263077565 /nfs/dbraw/zinc/07/75/65/263077565.db2.gz ZSWLFGPXSQMWKS-OBJOEFQTSA-N 0 3 258.369 2.469 20 30 CEEDHN C=CCC[C@H](O)CN1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340192390 263087404 /nfs/dbraw/zinc/08/74/04/263087404.db2.gz NVRITHMOYGJCIC-TUAOUCFPSA-N 0 3 281.318 2.091 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NCCCN1CCc2ccccc2C1 ZINC000285022250 263089423 /nfs/dbraw/zinc/08/94/23/263089423.db2.gz DTUGGHDRJRWUSS-SFHVURJKSA-N 0 3 299.418 2.491 20 30 CEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(CC#N)cc1 ZINC000285729946 263095439 /nfs/dbraw/zinc/09/54/39/263095439.db2.gz IVNYJRBEDBVBJY-RHSMWYFYSA-N 0 3 297.402 2.451 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000285857344 263096069 /nfs/dbraw/zinc/09/60/69/263096069.db2.gz XJZOZJOTVBRLSR-KRWDZBQOSA-N 0 3 299.418 2.142 20 30 CEEDHN CCOc1cccc(/C=N/[C@@H](C)CN(C)C)c1O ZINC000286667647 263099102 /nfs/dbraw/zinc/09/91/02/263099102.db2.gz YQCQYJXMJGNGCA-ZRRZQRFHSA-N 0 3 250.342 2.160 20 30 CEEDHN CC(C)(C#N)CCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292120213 263128790 /nfs/dbraw/zinc/12/87/90/263128790.db2.gz HZRSAWSEAZARIO-CQSZACIVSA-N 0 3 284.363 2.346 20 30 CEEDHN CCN(CCOCCC#N)Cc1ccc(OC)cc1 ZINC000293636050 263145286 /nfs/dbraw/zinc/14/52/86/263145286.db2.gz XECFHAKUVSSMDQ-UHFFFAOYSA-N 0 3 262.353 2.447 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](N[C@H](CC(N)=O)c2ccccc2)C1 ZINC000293704111 263147522 /nfs/dbraw/zinc/14/75/22/263147522.db2.gz RYAQDQHPLFDCKB-BPLDGKMQSA-N 0 3 271.364 2.275 20 30 CEEDHN CN(C[C@H](O)Cc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC000293726423 263148045 /nfs/dbraw/zinc/14/80/45/263148045.db2.gz YVVUYOCPSOVPIE-HRCADAONSA-N 0 3 258.365 2.214 20 30 CEEDHN CN1CCC[C@@]2(CCN(C(=O)c3cccc(CC#N)c3)C2)C1 ZINC000294166251 263157132 /nfs/dbraw/zinc/15/71/32/263157132.db2.gz OFRXFPYDOBNWCB-GOSISDBHSA-N 0 3 297.402 2.311 20 30 CEEDHN C[C@H](C#N)N(C)C(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000294482664 263162641 /nfs/dbraw/zinc/16/26/41/263162641.db2.gz XIIBAPBQNKPDAF-ZBFHGGJFSA-N 0 3 285.391 2.269 20 30 CEEDHN C[C@@H](NCCOCCC#N)c1ccccc1[N+](=O)[O-] ZINC000294637584 263165405 /nfs/dbraw/zinc/16/54/05/263165405.db2.gz PQOVZWNCTVSHTN-LLVKDONJSA-N 0 3 263.297 2.176 20 30 CEEDHN C[C@@H](CCC#N)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000298046928 263214019 /nfs/dbraw/zinc/21/40/19/263214019.db2.gz DSYNAMOZBGDNJO-GXTWGEPZSA-N 0 3 270.336 2.099 20 30 CEEDHN C=CCCC[C@H](C)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000340902017 263308698 /nfs/dbraw/zinc/30/86/98/263308698.db2.gz SOOIWJYELXXNBU-STQMWFEESA-N 0 3 259.415 2.098 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000341488434 263339444 /nfs/dbraw/zinc/33/94/44/263339444.db2.gz IDUYFTVBCVATRZ-OCCSQVGLSA-N 0 3 265.401 2.219 20 30 CEEDHN COCC1(C#N)CCN(CCCCn2ccnc2C)CC1 ZINC000341982061 263369647 /nfs/dbraw/zinc/36/96/47/263369647.db2.gz CWIUSQDYLIPWQM-UHFFFAOYSA-N 0 3 290.411 2.224 20 30 CEEDHN COCC1(C#N)CCN(C[C@@H](O)CC2CCCC2)CC1 ZINC000341989380 263381151 /nfs/dbraw/zinc/38/11/51/263381151.db2.gz JXAFOFZTSPWNAN-HNNXBMFYSA-N 0 3 280.412 2.180 20 30 CEEDHN C=CC1CCN([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000330703851 264018451 /nfs/dbraw/zinc/01/84/51/264018451.db2.gz QHSZSEJUQSFKLQ-OCCSQVGLSA-N 0 3 293.411 2.047 20 30 CEEDHN C=CCN(CC1CCCCC1)C(=O)C(C)S(C)(=O)=O ZINC000330748962 264028875 /nfs/dbraw/zinc/02/88/75/264028875.db2.gz VWRQNPKMGBBNEV-GFCCVEGCSA-N 0 3 287.425 2.014 20 30 CEEDHN C[C@H]1COCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000330940869 264083385 /nfs/dbraw/zinc/08/33/85/264083385.db2.gz CQGPCLXHTIAZPJ-ZFWWWQNUSA-N 0 3 272.348 2.006 20 30 CEEDHN COc1cccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1OC ZINC000330915426 264092480 /nfs/dbraw/zinc/09/24/80/264092480.db2.gz UFVZNRXHUBKIRB-VXGBXAGGSA-N 0 3 292.379 2.491 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(C#N)CC2)cc1 ZINC000331020559 264098139 /nfs/dbraw/zinc/09/81/39/264098139.db2.gz XNFXHUSULQYHSB-INIZCTEOSA-N 0 3 292.342 2.003 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)c2cc[nH]c(=O)c2)C1 ZINC000330988573 264104666 /nfs/dbraw/zinc/10/46/66/264104666.db2.gz RQCGIYRWVPYIES-UHFFFAOYSA-N 0 3 277.368 2.214 20 30 CEEDHN C=CCn1cc(CNC[C@H](C)Cc2ccccc2)nn1 ZINC000425354776 264127293 /nfs/dbraw/zinc/12/72/93/264127293.db2.gz NUAZAXZHGZZVTH-CQSZACIVSA-N 0 3 270.380 2.433 20 30 CEEDHN C=CCn1cc(CNC[C@@H](C)Cc2ccccc2)nn1 ZINC000425354774 264127406 /nfs/dbraw/zinc/12/74/06/264127406.db2.gz NUAZAXZHGZZVTH-AWEZNQCLSA-N 0 3 270.380 2.433 20 30 CEEDHN Cc1nc(C(=O)NCCN2CCC(C)CC2)c(C)o1 ZINC000331211862 264163260 /nfs/dbraw/zinc/16/32/60/264163260.db2.gz ZFSSXQUDVJWNKP-UHFFFAOYSA-N 0 3 265.357 2.328 20 30 CEEDHN COc1ccc(O)cc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000331297526 264198660 /nfs/dbraw/zinc/19/86/60/264198660.db2.gz SQBDQXDJNPYGJT-NSHDSACASA-N 0 3 290.363 2.356 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)NCc1cscn1 ZINC000331307346 264200848 /nfs/dbraw/zinc/20/08/48/264200848.db2.gz FJAMCBOMGBZFMQ-LBPRGKRZSA-N 0 3 296.440 2.267 20 30 CEEDHN CC(C)(CNC(=O)N[C@@H]1CC[C@H](C#N)C1)N1CCCCC1 ZINC000425411511 264293400 /nfs/dbraw/zinc/29/34/00/264293400.db2.gz YFSVIFYIRLVHLJ-UONOGXRCSA-N 0 3 292.427 2.242 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000424935301 264384633 /nfs/dbraw/zinc/38/46/33/264384633.db2.gz XRETUTHUIKMFIE-JYJNAYRXSA-N 0 3 294.439 2.204 20 30 CEEDHN C#CCN(C)CCCNC(=O)C(C)(C)c1ccc(F)cc1 ZINC000293925166 264989623 /nfs/dbraw/zinc/98/96/23/264989623.db2.gz HKFWKDYULOJNBK-UHFFFAOYSA-N 0 3 290.382 2.175 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(SC)cc1 ZINC000294070200 265005573 /nfs/dbraw/zinc/00/55/73/265005573.db2.gz KQDBGCZAOTUKNC-GFCCVEGCSA-N 0 3 276.405 2.199 20 30 CEEDHN C=CCCC1(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)CC1 ZINC000356532712 266131506 /nfs/dbraw/zinc/13/15/06/266131506.db2.gz LUUFDUXJNILJRC-STQMWFEESA-N 0 3 282.453 2.237 20 30 CEEDHN COC[C@@H](NC(=O)C(C)C#N)c1cccc(Cl)c1 ZINC000356607316 266147341 /nfs/dbraw/zinc/14/73/41/266147341.db2.gz XKETWPJKBSVJEM-BXKDBHETSA-N 0 3 266.728 2.303 20 30 CEEDHN C=CCCC1(C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000356948745 266216833 /nfs/dbraw/zinc/21/68/33/266216833.db2.gz HFJBQJXENRZHSU-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN CC#CCN(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000357558404 266325444 /nfs/dbraw/zinc/32/54/44/266325444.db2.gz MDGIXUJYFBOMEF-UHFFFAOYSA-N 0 3 270.376 2.246 20 30 CEEDHN CC(C#N)C(=O)NCc1cccc(OC(F)F)c1 ZINC000357791587 266362552 /nfs/dbraw/zinc/36/25/52/266362552.db2.gz AUBXCBGHFRJOIQ-QMMMGPOBSA-N 0 3 254.236 2.064 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(OC(F)F)cc1 ZINC000357805528 266368146 /nfs/dbraw/zinc/36/81/46/266368146.db2.gz AZDYTSZTLBXCJB-QMMMGPOBSA-N 0 3 254.236 2.064 20 30 CEEDHN C=CCOCC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000357885195 266382890 /nfs/dbraw/zinc/38/28/90/266382890.db2.gz ZNFQOSGPYYBNJK-PBHICJAKSA-N 0 3 290.407 2.305 20 30 CEEDHN Cc1ccc(OC(F)F)c(CNC(=O)C(C)C#N)c1 ZINC000362558448 267007238 /nfs/dbraw/zinc/00/72/38/267007238.db2.gz SLEAGYNRNMIYHX-SECBINFHSA-N 0 3 268.263 2.372 20 30 CEEDHN C#Cc1ccc(CN[C@@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000367657000 267107199 /nfs/dbraw/zinc/10/71/99/267107199.db2.gz FUPJDDNKPWNNAB-AEFFLSMTSA-N 0 3 279.339 2.252 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc(C#N)c(OC)c1 ZINC000442837106 267130598 /nfs/dbraw/zinc/13/05/98/267130598.db2.gz PGYGTNUMGSPZPX-NWDGAFQWSA-N 0 3 290.363 2.244 20 30 CEEDHN CCO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(C#N)cc1 ZINC000451941477 267149156 /nfs/dbraw/zinc/14/91/56/267149156.db2.gz YWHULJLABGFHSJ-KCPJHIHWSA-N 0 3 260.337 2.013 20 30 CEEDHN C[C@@H](C#N)Oc1ccc(CN2CCOC[C@@H](C)C2)cc1 ZINC000370181212 267297514 /nfs/dbraw/zinc/29/75/14/267297514.db2.gz FUNRMYWARCQSBK-KBPBESRZSA-N 0 3 274.364 2.446 20 30 CEEDHN CC(C)(C#N)CCCN1CCN([C@@H]2CCSC2)CC1 ZINC000370406835 267316443 /nfs/dbraw/zinc/31/64/43/267316443.db2.gz PZMJBIQPYQFLAW-CQSZACIVSA-N 0 3 281.469 2.439 20 30 CEEDHN CN1CC[C@@H](Nc2cncc(C#N)n2)[C@H]1c1ccccc1 ZINC000420615867 267339511 /nfs/dbraw/zinc/33/95/11/267339511.db2.gz QRZAWQIJMTVTQO-GDBMZVCRSA-N 0 3 279.347 2.206 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCCOC(C)(C)C1 ZINC000370715204 267341080 /nfs/dbraw/zinc/34/10/80/267341080.db2.gz FPMYLOGDDFQSCL-AWEZNQCLSA-N 0 3 280.412 2.076 20 30 CEEDHN CN1CC[C@H](Nc2cc(C#N)ncn2)[C@H]1c1ccccc1 ZINC000516897625 267341633 /nfs/dbraw/zinc/34/16/33/267341633.db2.gz BMCUHWILBKXEIF-GOEBONIOSA-N 0 3 279.347 2.206 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@H]1CCCC[C@H]1O ZINC000305839358 268007391 /nfs/dbraw/zinc/00/73/91/268007391.db2.gz YKXOLSJFLNDZRF-ARFHVFGLSA-N 0 3 296.455 2.282 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@H](n3cncn3)C2)c1 ZINC000377278405 268062897 /nfs/dbraw/zinc/06/28/97/268062897.db2.gz PMTZZMGTSRTHTG-HNNXBMFYSA-N 0 3 284.363 2.290 20 30 CEEDHN Cc1ncccc1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000530243518 268089278 /nfs/dbraw/zinc/08/92/78/268089278.db2.gz SDPXMDHQIPQXEE-MRXNPFEDSA-N 0 3 267.332 2.085 20 30 CEEDHN N#Cc1cccc(OCCN2CCC[C@]3(CCOC3)C2)c1 ZINC000451909882 268285121 /nfs/dbraw/zinc/28/51/21/268285121.db2.gz XTJBQKKDWKISBB-KRWDZBQOSA-N 0 3 286.375 2.440 20 30 CEEDHN N#Cc1cnn2cc(CN3CCCC34CCC4)cnc12 ZINC000517567445 268317366 /nfs/dbraw/zinc/31/73/66/268317366.db2.gz OPTMADQJHCXBEB-UHFFFAOYSA-N 0 3 267.336 2.119 20 30 CEEDHN N#Cc1cccc(CNC[C@H](O)COc2ccccc2)c1 ZINC000037502503 270225268 /nfs/dbraw/zinc/22/52/68/270225268.db2.gz JNDZZXWZKZMDFN-INIZCTEOSA-N 0 3 282.343 2.088 20 30 CEEDHN CCN1CCC[C@@H]1CN(C)c1ncc2c(c1C#N)CCC2 ZINC000425228567 271141728 /nfs/dbraw/zinc/14/17/28/271141728.db2.gz KKAKGCJLRAFTIX-CQSZACIVSA-N 0 3 284.407 2.362 20 30 CEEDHN C[C@@H](CO)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC000295643087 274229012 /nfs/dbraw/zinc/22/90/12/274229012.db2.gz CHLGLCHGMGFFGS-RYUDHWBXSA-N 0 3 251.757 2.298 20 30 CEEDHN Cc1cc(N2CCN(CC(C)C)CC2)cc(C#N)n1 ZINC000308268814 274706668 /nfs/dbraw/zinc/70/66/68/274706668.db2.gz DPFSHOVMHJMHPI-UHFFFAOYSA-N 0 3 258.369 2.040 20 30 CEEDHN O[C@@H]1CC[C@H]2CN(CC#Cc3cccc(Cl)c3)C[C@H]12 ZINC000344099522 275054554 /nfs/dbraw/zinc/05/45/54/275054554.db2.gz YMDSEDHXDWYFHU-CWRNSKLLSA-N 0 3 275.779 2.394 20 30 CEEDHN C#CCCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000278920757 275379380 /nfs/dbraw/zinc/37/93/80/275379380.db2.gz RPMWDHVUYRUBDZ-UHFFFAOYSA-N 0 3 257.381 2.422 20 30 CEEDHN CCN1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000176978135 276193504 /nfs/dbraw/zinc/19/35/04/276193504.db2.gz YLMZZZLXUUQLGA-UHFFFAOYSA-N 0 3 262.784 2.329 20 30 CEEDHN CN1CC[C@H]2CCN(c3ccc(F)cc3C#N)[C@H]2C1 ZINC000272149769 277178309 /nfs/dbraw/zinc/17/83/09/277178309.db2.gz CZUZFCHOBBVPMT-NHYWBVRUSA-N 0 3 259.328 2.228 20 30 CEEDHN CC(C)(CCC#N)CN1CC[C@](O)(C(F)(F)F)C1 ZINC000093612316 277295483 /nfs/dbraw/zinc/29/54/83/277295483.db2.gz DUELKEQAMYIKEV-LLVKDONJSA-N 0 3 264.291 2.315 20 30 CEEDHN C[C@H](CN1CCCCCC1)NC(=O)c1ccc(C#N)o1 ZINC000347247098 278188426 /nfs/dbraw/zinc/18/84/26/278188426.db2.gz YCOVCRQSSVRNAJ-GFCCVEGCSA-N 0 3 275.352 2.146 20 30 CEEDHN CC[C@H](N[C@@H](C)C(=O)N(C)C)c1ccc(C#N)cc1 ZINC000278884727 288057458 /nfs/dbraw/zinc/05/74/58/288057458.db2.gz YDXWCVZKCJHBQU-FZMZJTMJSA-N 0 3 259.353 2.076 20 30 CEEDHN Cc1nc(N(C)[C@H]2CCN(C)C[C@H]2C)ccc1C#N ZINC000291839369 279088606 /nfs/dbraw/zinc/08/86/06/279088606.db2.gz GRNCZQFLQWSNEJ-RISCZKNCSA-N 0 3 258.369 2.038 20 30 CEEDHN C[C@@H]1[C@H](C)N(Cc2cn3ccccc3c2C#N)CCN1C ZINC000357013114 279104132 /nfs/dbraw/zinc/10/41/32/279104132.db2.gz ZUMIDSQDDCPZGE-KGLIPLIRSA-N 0 3 282.391 2.335 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C(C)C)C1CCC1 ZINC000077358952 279223403 /nfs/dbraw/zinc/22/34/03/279223403.db2.gz MWGVOWOGVNYXCZ-CYBMUJFWSA-N 0 3 265.401 2.257 20 30 CEEDHN C[C@](O)(CN[C@@H]1CCc2ccc(C#N)cc21)C(F)(F)F ZINC000353270766 280143618 /nfs/dbraw/zinc/14/36/18/280143618.db2.gz WXSRDTZJUNTDND-OLZOCXBDSA-N 0 3 284.281 2.448 20 30 CEEDHN C[C@@H]1CN(c2cnccc2C#N)CCN(C2CCC2)C1 ZINC000292222142 288272152 /nfs/dbraw/zinc/27/21/52/288272152.db2.gz ICUIBJXKSQHAKX-ZDUSSCGKSA-N 0 3 270.380 2.264 20 30 CEEDHN CC(C)(O)[C@@H]1CCCN1Cc1cc(C#N)cs1 ZINC000154451491 289145937 /nfs/dbraw/zinc/14/59/37/289145937.db2.gz GBOJZLHIRQGOQL-LBPRGKRZSA-N 0 3 250.367 2.355 20 30 CEEDHN COc1cc(C#N)ccc1CSCCN(C)C ZINC000155261960 289169656 /nfs/dbraw/zinc/16/96/56/289169656.db2.gz OKSGUBNCGWBMKB-UHFFFAOYSA-N 0 3 250.367 2.362 20 30 CEEDHN Cc1nc(N2CCN(C3CC3)C[C@H](C)C2)ccc1C#N ZINC000294979978 293297395 /nfs/dbraw/zinc/29/73/95/293297395.db2.gz PGAZUPKMPGODOH-LBPRGKRZSA-N 0 3 270.380 2.182 20 30 CEEDHN C[C@H](NCCN1CCO[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000538507758 298229879 /nfs/dbraw/zinc/22/98/79/298229879.db2.gz CCWFJHDBFIMGOY-OLZOCXBDSA-N 0 3 291.370 2.069 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358760830 328893709 /nfs/dbraw/zinc/89/37/09/328893709.db2.gz JTEVPONWOSZFQI-AWEZNQCLSA-N 0 3 262.328 2.069 20 30 CEEDHN CSCC[C@@H](C)N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000569605264 314003328 /nfs/dbraw/zinc/00/33/28/314003328.db2.gz JBNYZXZHYBIWOF-LLVKDONJSA-N 0 3 289.408 2.174 20 30 CEEDHN CN1CCC[C@H](CNC(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000569653153 314004938 /nfs/dbraw/zinc/00/49/38/314004938.db2.gz KIGLQDXMJYQLKX-LLVKDONJSA-N 0 3 290.342 2.161 20 30 CEEDHN N#Cc1nccc(NC[C@H](c2ccccc2)N2CCCC2)n1 ZINC000577626942 314397804 /nfs/dbraw/zinc/39/78/04/314397804.db2.gz ZFJLCALJYMYQBL-OAHLLOKOSA-N 0 3 293.374 2.019 20 30 CEEDHN C=CCOc1ccc(CNC(COC)COC)cc1 ZINC000388523107 327885341 /nfs/dbraw/zinc/88/53/41/327885341.db2.gz YEGQUEMXRWEYCY-UHFFFAOYSA-N 0 3 265.353 2.002 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000377755549 329028275 /nfs/dbraw/zinc/02/82/75/329028275.db2.gz HWXHCUVNHICPOA-WFASDCNBSA-N 0 3 283.391 2.207 20 30 CEEDHN COCCCOC1CCN([C@@H](C)CCC#N)CC1 ZINC000411284612 328082029 /nfs/dbraw/zinc/08/20/29/328082029.db2.gz OZIADDMFKFFSMA-ZDUSSCGKSA-N 0 3 254.374 2.196 20 30 CEEDHN C=CCOc1ccc(CN2CCN(C)C[C@H]2C)cc1 ZINC000353585425 328293339 /nfs/dbraw/zinc/29/33/39/328293339.db2.gz SKMFFFTZMVBWRP-CQSZACIVSA-N 0 3 260.381 2.387 20 30 CEEDHN CC[C@H](CC(F)(F)F)NCc1cnc2c(C#N)cnn2c1 ZINC000582486817 322476998 /nfs/dbraw/zinc/47/69/98/322476998.db2.gz STUOZXQJSJLDEG-LLVKDONJSA-N 0 3 297.284 2.422 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@H]1[C@@H](O)CC ZINC000304088114 328376158 /nfs/dbraw/zinc/37/61/58/328376158.db2.gz ABGDLUJAJKSAGK-GJZGRUSLSA-N 0 3 282.428 2.036 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@H]1[C@H](O)CC ZINC000304088116 328376185 /nfs/dbraw/zinc/37/61/85/328376185.db2.gz ABGDLUJAJKSAGK-LSDHHAIUSA-N 0 3 282.428 2.036 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@@H]1[C@@H](O)CC ZINC000304088113 328376190 /nfs/dbraw/zinc/37/61/90/328376190.db2.gz ABGDLUJAJKSAGK-CABCVRRESA-N 0 3 282.428 2.036 20 30 CEEDHN C#CC[C@@H](NC(=O)[C@H](CC)N(C)C)c1ccccc1 ZINC000298681044 326919650 /nfs/dbraw/zinc/91/96/50/326919650.db2.gz UQZFOAAMLNBCGI-CABCVRRESA-N 0 3 258.365 2.207 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCCN1CC=CCC1 ZINC000584181621 327061274 /nfs/dbraw/zinc/06/12/74/327061274.db2.gz CZHNRIKFNHUURZ-QGZVFWFLSA-N 0 3 297.402 2.137 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC[C@H]1Cc1ccccc1 ZINC000076872467 327131305 /nfs/dbraw/zinc/13/13/05/327131305.db2.gz CATCHMICLBTUPU-KRWDZBQOSA-N 0 3 299.418 2.456 20 30 CEEDHN CC(C)c1nc(CCNC(=O)C(C)C#N)cs1 ZINC000357874126 327202171 /nfs/dbraw/zinc/20/21/71/327202171.db2.gz FGLHCDFTKCODAR-SECBINFHSA-N 0 3 251.355 2.085 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](C)COCc1ccccc1 ZINC000347044399 327274561 /nfs/dbraw/zinc/27/45/61/327274561.db2.gz XUYOMBCYDPYKNX-QWHCGFSZSA-N 0 3 260.337 2.115 20 30 CEEDHN C[C@H](N[C@H]1CSC[C@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000560446570 327308829 /nfs/dbraw/zinc/30/88/29/327308829.db2.gz ZMDNHQXZMPPWBP-AGIUHOORSA-N 0 3 295.452 2.059 20 30 CEEDHN CCN(CCC#N)C(=O)CN(C)C1(C)CCCC1 ZINC000489858385 332070612 /nfs/dbraw/zinc/07/06/12/332070612.db2.gz KXUOBSXIIMMZSR-UHFFFAOYSA-N 0 3 251.374 2.013 20 30 CEEDHN C=CCSCCNC(=O)[C@@H](CC)N(CC)CC ZINC000357313916 328868907 /nfs/dbraw/zinc/86/89/07/328868907.db2.gz QLXIORMWPMMWNT-GFCCVEGCSA-N 0 3 258.431 2.142 20 30 CEEDHN CC#CCCNCc1cnc([C@@H]2CCCO2)s1 ZINC000360969742 328913499 /nfs/dbraw/zinc/91/34/99/328913499.db2.gz UYHYSPZWOHSFDV-LBPRGKRZSA-N 0 3 250.367 2.498 20 30 CEEDHN C=C(C)COCCNCc1cn(C)nc1C(F)F ZINC000360972462 328913885 /nfs/dbraw/zinc/91/38/85/328913885.db2.gz AGOIJWVWGWKCOA-UHFFFAOYSA-N 0 3 259.300 2.040 20 30 CEEDHN C=CCCCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](N)C1 ZINC000377358290 329012389 /nfs/dbraw/zinc/01/23/89/329012389.db2.gz MSRCLHQQMRNSHN-LSDHHAIUSA-N 0 3 276.355 2.435 20 30 CEEDHN C=C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000377916385 329034670 /nfs/dbraw/zinc/03/46/70/329034670.db2.gz LRQHUQNNQNBLRF-OAHLLOKOSA-N 0 3 268.376 2.378 20 30 CEEDHN C#CCCCCNC(=O)N1CCCN(CC(C)C)CC1 ZINC000378116306 329040321 /nfs/dbraw/zinc/04/03/21/329040321.db2.gz WDVNVVAMSOXRME-UHFFFAOYSA-N 0 3 279.428 2.163 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1Cc2ccccc2[C@@H]1O ZINC000172068767 329080530 /nfs/dbraw/zinc/08/05/30/329080530.db2.gz WALGMNMFDLMSPO-MJGOQNOKSA-N 0 3 293.366 2.447 20 30 CEEDHN C[C@H](CCC#N)N1CCC(C(=O)N2CCCC2)CC1 ZINC000582549257 329106068 /nfs/dbraw/zinc/10/60/68/329106068.db2.gz RYSXSMIXEKDRDA-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@H](C)C(C)C)CC1 ZINC000172390288 329135253 /nfs/dbraw/zinc/13/52/53/329135253.db2.gz YBTYKWLMHRYCGB-ZDUSSCGKSA-N 0 3 267.417 2.228 20 30 CEEDHN C=CCCCCCN(C)[C@H](C)C(=O)N1CCN(CC)CC1 ZINC000172654891 329136275 /nfs/dbraw/zinc/13/62/75/329136275.db2.gz UNJPADWYIBXLFY-MRXNPFEDSA-N 0 3 295.471 2.217 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)CC[C@H]2C)CC1 ZINC000173197295 329143476 /nfs/dbraw/zinc/14/34/76/329143476.db2.gz ZQKZAXIFJQELKN-ZIAGYGMSSA-N 0 3 279.428 2.467 20 30 CEEDHN C#CCCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174085687 329156802 /nfs/dbraw/zinc/15/68/02/329156802.db2.gz LDZNRUGSTWGDOO-KRWDZBQOSA-N 0 3 299.418 2.364 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@H]2C2CC2)CC1 ZINC000176015513 329173426 /nfs/dbraw/zinc/17/34/26/329173426.db2.gz MHXRBYAHWIVETJ-GJZGRUSLSA-N 0 3 262.397 2.189 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000181419370 329236498 /nfs/dbraw/zinc/23/64/98/329236498.db2.gz FLSOIRUILIFZLJ-CQSZACIVSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(OC)CCCCC2)CC1 ZINC000185506939 329326102 /nfs/dbraw/zinc/32/61/02/329326102.db2.gz DCOWFQGFWISQJX-UHFFFAOYSA-N 0 3 280.412 2.102 20 30 CEEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)N1CCCC[C@@H]1C ZINC000185809755 329329691 /nfs/dbraw/zinc/32/96/91/329329691.db2.gz WKKBFNXIQOQSBL-ZQDZILKHSA-N 0 3 277.412 2.448 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC000186239886 329340187 /nfs/dbraw/zinc/34/01/87/329340187.db2.gz CDEGBTVHVLMFPK-HOCLYGCPSA-N 0 3 264.413 2.435 20 30 CEEDHN CC[C@H](CN(CC)CC(=O)NCC#N)c1ccccc1 ZINC000186624235 329346722 /nfs/dbraw/zinc/34/67/22/329346722.db2.gz OGEIURPCYUXNLJ-CQSZACIVSA-N 0 3 273.380 2.142 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cc(OC)c(OC)c(OC)c1 ZINC000321461219 329358380 /nfs/dbraw/zinc/35/83/80/329358380.db2.gz PAEYNJWCMBTZMJ-ZDUSSCGKSA-N 0 3 295.379 2.129 20 30 CEEDHN C=C[C@@H](C)NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000128138934 329605142 /nfs/dbraw/zinc/60/51/42/329605142.db2.gz SRHJMJBLWYLICL-CYBMUJFWSA-N 0 3 291.395 2.001 20 30 CEEDHN C=CCC[C@H](O)CN[C@H](C[S@](C)=O)c1ccccc1 ZINC000248556311 329891946 /nfs/dbraw/zinc/89/19/46/329891946.db2.gz IHRMTTXCWMVWEX-KHYOSLBOSA-N 0 3 281.421 2.023 20 30 CEEDHN C=C(C)CN(CC)C(=O)CNC(CC)(CC)CC(=O)OC ZINC000268518862 330066157 /nfs/dbraw/zinc/06/61/57/330066157.db2.gz ZQPXIZLZMWXBTK-UHFFFAOYSA-N 0 3 298.427 2.123 20 30 CEEDHN C#CCCNC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000274796525 330107720 /nfs/dbraw/zinc/10/77/20/330107720.db2.gz MODAURVYYFDUMS-QGZVFWFLSA-N 0 3 299.418 2.220 20 30 CEEDHN C=C(CN[C@H](C1CC1)[C@H]1CNCCO1)c1ccccc1 ZINC000423025120 330165844 /nfs/dbraw/zinc/16/58/44/330165844.db2.gz KQUPECHIFASLCG-IAGOWNOFSA-N 0 3 272.392 2.056 20 30 CEEDHN CCN(C(=O)[C@H](N)CCCC#N)c1cccc(C)c1 ZINC000424076937 330221059 /nfs/dbraw/zinc/22/10/59/330221059.db2.gz AEYLDICERUHNFK-CQSZACIVSA-N 0 3 259.353 2.369 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCSc2ccccc21 ZINC000424077389 330221130 /nfs/dbraw/zinc/22/11/30/330221130.db2.gz NZSKQOOBUOKUAW-STQMWFEESA-N 0 3 289.404 2.361 20 30 CEEDHN CSc1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000424080657 330221889 /nfs/dbraw/zinc/22/18/89/330221889.db2.gz SYEUEHHZWKTSIS-JTQLQIEISA-N 0 3 263.366 2.368 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000424086104 330223577 /nfs/dbraw/zinc/22/35/77/330223577.db2.gz PZPKLFDFEIIAPJ-JTQLQIEISA-N 0 3 271.242 2.064 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCc1cccc2ccccc21 ZINC000424088279 330224151 /nfs/dbraw/zinc/22/41/51/330224151.db2.gz GSCBZVJQDHQPDJ-MRXNPFEDSA-N 0 3 281.359 2.477 20 30 CEEDHN Cc1nc(-c2cccc(NC(=O)[C@H](N)CCCC#N)c2)no1 ZINC000424088750 330224464 /nfs/dbraw/zinc/22/44/64/330224464.db2.gz HKEMPQJZOYGMBJ-CYBMUJFWSA-N 0 3 299.334 2.005 20 30 CEEDHN C[C@H](c1cccs1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424092067 330225466 /nfs/dbraw/zinc/22/54/66/330225466.db2.gz PHWRKECXJNZVQP-GHMZBOCLSA-N 0 3 265.382 2.289 20 30 CEEDHN Cc1ccccc1C[C@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424092753 330225985 /nfs/dbraw/zinc/22/59/85/330225985.db2.gz PQVSXLJCRLVPJK-ZFWWWQNUSA-N 0 3 273.380 2.063 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NC[C@H]1CCCc2ccccc21 ZINC000424095468 330226919 /nfs/dbraw/zinc/22/69/19/330226919.db2.gz WHKICXLKOGCFOO-GDBMZVCRSA-N 0 3 285.391 2.244 20 30 CEEDHN CCN(Cc1ccc(OC)cc1)C(=O)[C@H](N)CCCC#N ZINC000424095935 330226983 /nfs/dbraw/zinc/22/69/83/330226983.db2.gz XXJYNROXDLULOI-OAHLLOKOSA-N 0 3 289.379 2.065 20 30 CEEDHN CC(C)(C)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424115706 330243546 /nfs/dbraw/zinc/24/35/46/330243546.db2.gz VKZWRABULMYTIJ-RYUDHWBXSA-N 0 3 251.374 2.045 20 30 CEEDHN CCS[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000424117633 330243596 /nfs/dbraw/zinc/24/35/96/330243596.db2.gz BPEDBBDONLKGDG-FRRDWIJNSA-N 0 3 283.441 2.188 20 30 CEEDHN CCC(CC)c1cc(CNC(=O)[C@H](N)CCCC#N)on1 ZINC000424121079 330251006 /nfs/dbraw/zinc/25/10/06/330251006.db2.gz HYCIXGSCNFNJOD-CYBMUJFWSA-N 0 3 292.383 2.216 20 30 CEEDHN CC[C@@]1(C)CCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424123251 330255208 /nfs/dbraw/zinc/25/52/08/330255208.db2.gz KRHFPWHHQRUTFR-JSGCOSHPSA-N 0 3 251.374 2.046 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(-c2cncnc2)cc1 ZINC000424123255 330255339 /nfs/dbraw/zinc/25/53/39/330255339.db2.gz KRKSOCCKLXZWDY-OAHLLOKOSA-N 0 3 295.346 2.103 20 30 CEEDHN C[C@H](CNC(=O)[C@@H](N)CCCC#N)Sc1ccccc1 ZINC000424124206 330256783 /nfs/dbraw/zinc/25/67/83/330256783.db2.gz MBJFAYWVDVSQRE-OCCSQVGLSA-N 0 3 291.420 2.305 20 30 CEEDHN CC[C@H](C)[C@@H]1CCCCN1C(=O)[C@H](N)CCCC#N ZINC000424133280 330265393 /nfs/dbraw/zinc/26/53/93/330265393.db2.gz XHWSUISJOMUPPH-MJBXVCDLSA-N 0 3 265.401 2.435 20 30 CEEDHN C[C@H]1c2ccccc2CCN1C(=O)[C@@H](N)CCCC#N ZINC000424137684 330275060 /nfs/dbraw/zinc/27/50/60/330275060.db2.gz MDLMNGRMYVHIEW-WFASDCNBSA-N 0 3 271.364 2.153 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCCCn1ccc2ccccc21 ZINC000424138357 330276592 /nfs/dbraw/zinc/27/65/92/330276592.db2.gz QBOADEKQZZHWAR-OAHLLOKOSA-N 0 3 298.390 2.169 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000424161738 330307275 /nfs/dbraw/zinc/30/72/75/330307275.db2.gz WAEVZJPCRGCWFV-CYBMUJFWSA-N 0 3 283.335 2.036 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000424166926 330309452 /nfs/dbraw/zinc/30/94/52/330309452.db2.gz GXQFAPQNIFFLIN-RZBMREITSA-N 0 3 289.423 2.196 20 30 CEEDHN CSc1ccc(CCNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424172101 330311840 /nfs/dbraw/zinc/31/18/40/330311840.db2.gz MYKSTROQTYCDOJ-CQSZACIVSA-N 0 3 291.420 2.088 20 30 CEEDHN CCCc1csc(NC(=O)[C@@H](N)CCCC#N)n1 ZINC000424177321 330317592 /nfs/dbraw/zinc/31/75/92/330317592.db2.gz ZTZXZGOIMLGUBX-JTQLQIEISA-N 0 3 266.370 2.055 20 30 CEEDHN Cc1oc2ccccc2c1CNC(=O)[C@@H](N)CCCC#N ZINC000424177839 330317777 /nfs/dbraw/zinc/31/77/77/330317777.db2.gz VBLDHUJFEPNBNM-AWEZNQCLSA-N 0 3 285.347 2.379 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000424181203 330319265 /nfs/dbraw/zinc/31/92/65/330319265.db2.gz XFYPXJNWADFINI-MGPQQGTHSA-N 0 3 263.385 2.189 20 30 CEEDHN CCc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1F ZINC000424182656 330319997 /nfs/dbraw/zinc/31/99/97/330319997.db2.gz ULVOKLOGDGIDAD-ZDUSSCGKSA-N 0 3 263.316 2.348 20 30 CEEDHN CN(C)Cc1ccc(-c2noc([C@@H](N)CCCC#N)n2)cc1 ZINC000424338964 330343881 /nfs/dbraw/zinc/34/38/81/330343881.db2.gz PHCHZNGYQOWHRT-AWEZNQCLSA-N 0 3 299.378 2.492 20 30 CEEDHN CC(C)N(CC(=O)N[C@@](C)(C#N)C(C)C)CC1CC1 ZINC000533358363 330359504 /nfs/dbraw/zinc/35/95/04/330359504.db2.gz CTOUJWOSAUFKEP-HNNXBMFYSA-N 0 3 265.401 2.161 20 30 CEEDHN C=CC[C@H](CO)CNCc1cnc(C2CC2)s1 ZINC000537023715 330385610 /nfs/dbraw/zinc/38/56/10/330385610.db2.gz KLQUZAWJXPPSEY-JTQLQIEISA-N 0 3 252.383 2.295 20 30 CEEDHN C=CC[C@H](CO)CNCc1cnc(-c2ccccc2)nc1 ZINC000537025225 330386324 /nfs/dbraw/zinc/38/63/24/330386324.db2.gz NYICBXDOJNBATQ-AWEZNQCLSA-N 0 3 283.375 2.418 20 30 CEEDHN C=CCN(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000121146406 330395540 /nfs/dbraw/zinc/39/55/40/330395540.db2.gz NTCNYZDGYPVDDD-UHFFFAOYSA-N 0 3 266.297 2.100 20 30 CEEDHN CC(C)c1nnc(CCN[C@@H]2CC[C@@H](C#N)C2)s1 ZINC000426312648 330503721 /nfs/dbraw/zinc/50/37/21/330503721.db2.gz UDGILANMLZPSKK-GHMZBOCLSA-N 0 3 264.398 2.486 20 30 CEEDHN CCn1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1=O ZINC000433099215 330617177 /nfs/dbraw/zinc/61/71/77/330617177.db2.gz HRJNUZNYOAAXDC-TZMCWYRMSA-N 0 3 259.353 2.040 20 30 CEEDHN N#C[C@H]1CC[C@H](NCCCS(=O)(=O)c2ccccc2)C1 ZINC000442777530 330782251 /nfs/dbraw/zinc/78/22/51/330782251.db2.gz IYTYGSMEASNQTP-KBPBESRZSA-N 0 3 292.404 2.132 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449519061 330933098 /nfs/dbraw/zinc/93/30/98/330933098.db2.gz LBPABAHTKBUBSL-YPMHNXCESA-N 0 3 278.308 2.037 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451422038 331028830 /nfs/dbraw/zinc/02/88/30/331028830.db2.gz QZACXEAPFFMQSZ-BZUAXINKSA-N 0 3 294.439 2.036 20 30 CEEDHN C=C(C)CCNC(=O)c1ccccc1OCCN(C)C ZINC000452726733 331074412 /nfs/dbraw/zinc/07/44/12/331074412.db2.gz WCRSFWVHLOMAMT-UHFFFAOYSA-N 0 3 276.380 2.323 20 30 CEEDHN C[C@H](CC(C)(C)O)NC(=O)C(C#N)CCc1ccccc1 ZINC000456097326 331184187 /nfs/dbraw/zinc/18/41/87/331184187.db2.gz OPQHNPINXIICMA-HIFRSBDPSA-N 0 3 288.391 2.425 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000456142167 331185356 /nfs/dbraw/zinc/18/53/56/331185356.db2.gz DLQVRVVJKSSMNA-XHSDSOJGSA-N 0 3 284.359 2.219 20 30 CEEDHN C=CCC[C@H](CO)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000456771193 331202337 /nfs/dbraw/zinc/20/23/37/331202337.db2.gz UMMLFIGGJBFWLA-ZBFHGGJFSA-N 0 3 294.439 2.227 20 30 CEEDHN CC1(C)CCCN1CCNC(=O)C1(C#N)CCCC1 ZINC000457075797 331211554 /nfs/dbraw/zinc/21/15/54/331211554.db2.gz NEVWEDZVSCTIHN-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457100524 331212440 /nfs/dbraw/zinc/21/24/40/331212440.db2.gz WPJURFJANBLUDP-AWEZNQCLSA-N 0 3 275.396 2.229 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000457617189 331229211 /nfs/dbraw/zinc/22/92/11/331229211.db2.gz ZGWGJLMRQPTEKC-CAOSSQGBSA-N 0 3 294.439 2.299 20 30 CEEDHN C[C@@H](CNC(=O)N(C)CC(C)(C)C#N)N1CCC(C)CC1 ZINC000458059743 331241988 /nfs/dbraw/zinc/24/19/88/331241988.db2.gz BKECNUXPTRCSQO-AWEZNQCLSA-N 0 3 294.443 2.298 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC(CC)(CC)C2)CC1 ZINC000458345407 331249672 /nfs/dbraw/zinc/24/96/72/331249672.db2.gz VFTMSHAVWZWSFB-UHFFFAOYSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458744762 331258892 /nfs/dbraw/zinc/25/88/92/331258892.db2.gz WREZVABZLUCSBW-UONOGXRCSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000458811498 331260864 /nfs/dbraw/zinc/26/08/64/331260864.db2.gz ONTOCOKYMDVATF-KGLIPLIRSA-N 0 3 279.428 2.324 20 30 CEEDHN C=C(C)CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000458993019 331264909 /nfs/dbraw/zinc/26/49/09/331264909.db2.gz DZGQSCFCHADNMW-SOUVJXGZSA-N 0 3 279.428 2.324 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCC[C@H]2CC)CC1 ZINC000490575874 332093183 /nfs/dbraw/zinc/09/31/83/332093183.db2.gz ZDGHFUNDLHVFPN-ZBFHGGJFSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000490865555 332121832 /nfs/dbraw/zinc/12/18/32/332121832.db2.gz DNNMWPQKFCFKEU-ZDUSSCGKSA-N 0 3 264.369 2.093 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC(C)(C)C2)CC1 ZINC000490890850 332124907 /nfs/dbraw/zinc/12/49/07/332124907.db2.gz AEJYFTKRRZYELB-CQSZACIVSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCNC(=O)CCN(C)[C@@H](CC)c1ccccc1OC ZINC000491121232 332152201 /nfs/dbraw/zinc/15/22/01/332152201.db2.gz PJDVMVYZSJGQAR-HNNXBMFYSA-N 0 3 288.391 2.218 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000491303584 332185607 /nfs/dbraw/zinc/18/56/07/332185607.db2.gz BOZLUOVOMWJPBR-ZMSDIMECSA-N 0 3 299.418 2.313 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000491326327 332190405 /nfs/dbraw/zinc/19/04/05/332190405.db2.gz MBXKENFTALSLSE-LSDHHAIUSA-N 0 3 291.439 2.162 20 30 CEEDHN C#C[C@H](NCc1ccc(OCCOC)c(OC)c1)C(C)C ZINC000491348538 332194371 /nfs/dbraw/zinc/19/43/71/332194371.db2.gz DAFGEGJMAVGLGS-HNNXBMFYSA-N 0 3 291.391 2.468 20 30 CEEDHN C#CCN1CCC(C(=O)NCCC(C)(C)C2CC2)CC1 ZINC000491546691 332235443 /nfs/dbraw/zinc/23/54/43/332235443.db2.gz WUCRYUCXJWXXDI-UHFFFAOYSA-N 0 3 276.424 2.274 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)/C=C\CN(C)C ZINC000491646425 332263771 /nfs/dbraw/zinc/26/37/71/332263771.db2.gz UWOXRMOFSMGCNI-YVMONPNESA-N 0 3 264.394 2.381 20 30 CEEDHN C#C[C@@H](C)N(C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000491662156 332271806 /nfs/dbraw/zinc/27/18/06/332271806.db2.gz LOJGSBGJCZSSTQ-RISCZKNCSA-N 0 3 251.757 2.197 20 30 CEEDHN C#C[C@@H](C)N(C)Cc1ccc(OCc2nccn2C)cc1 ZINC000491672681 332279365 /nfs/dbraw/zinc/27/93/65/332279365.db2.gz UNAJFXOTPXMKTI-CQSZACIVSA-N 0 3 283.375 2.453 20 30 CEEDHN C#CCNC(=O)CCNCc1cccc(OCCCC)c1 ZINC000491677755 332282413 /nfs/dbraw/zinc/28/24/13/332282413.db2.gz ZMZAQFQOYSSFKH-UHFFFAOYSA-N 0 3 288.391 2.095 20 30 CEEDHN C#CCN(C(=O)NCCN1[C@@H](C)CCC[C@@H]1C)C1CC1 ZINC000491681937 332284977 /nfs/dbraw/zinc/28/49/77/332284977.db2.gz OZKGUVZEXBSJKY-KBPBESRZSA-N 0 3 277.412 2.057 20 30 CEEDHN C#CCNC(=O)CCNCCSc1ccc(Cl)cc1 ZINC000491708083 332300286 /nfs/dbraw/zinc/30/02/86/332300286.db2.gz GVMNCTYJFUPMNQ-UHFFFAOYSA-N 0 3 296.823 2.161 20 30 CEEDHN C#CCN1CCC(C(=O)NCC2CCC(F)(F)CC2)CC1 ZINC000491730589 332312496 /nfs/dbraw/zinc/31/24/96/332312496.db2.gz PDGVXZLSAFPPMA-UHFFFAOYSA-N 0 3 298.377 2.273 20 30 CEEDHN C#CCNC(=O)CCN[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000491734564 332315332 /nfs/dbraw/zinc/31/53/32/332315332.db2.gz SBCSFHFQZUGDHZ-OAHLLOKOSA-N 0 3 292.329 2.071 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000491757846 332330255 /nfs/dbraw/zinc/33/02/55/332330255.db2.gz GABHTPPZLFRZDN-HOCLYGCPSA-N 0 3 287.407 2.261 20 30 CEEDHN C#C[C@H](CC)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000491785840 332348566 /nfs/dbraw/zinc/34/85/66/332348566.db2.gz RXNZYIHHEPZXGM-CABCVRRESA-N 0 3 273.380 2.000 20 30 CEEDHN C#C[C@@H](CC)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000491821145 332370676 /nfs/dbraw/zinc/37/06/76/332370676.db2.gz ZSKKUKXRIPSTEB-INIZCTEOSA-N 0 3 299.418 2.362 20 30 CEEDHN C=CCC[C@@H](O)CN[C@H](CO)c1sccc1C ZINC000494657010 332481929 /nfs/dbraw/zinc/48/19/29/332481929.db2.gz RIELQZXWTDTHKM-VXGBXAGGSA-N 0 3 255.383 2.007 20 30 CEEDHN C[C@@H]1C[C@H](C=Nn2cnnc2)CCN1C(=O)OC(C)(C)C ZINC000497027429 332567936 /nfs/dbraw/zinc/56/79/36/332567936.db2.gz SCGWKMUSLYJHII-VXGBXAGGSA-N 0 3 293.371 2.148 20 30 CEEDHN N#CCC[C@@H](C#N)CNCCc1ccc(-n2cccn2)cc1 ZINC000575856631 335124094 /nfs/dbraw/zinc/12/40/94/335124094.db2.gz NXPWYOPFCRRVNV-INIZCTEOSA-N 0 3 293.374 2.448 20 30 CEEDHN C#CCN(CCCCCS(=O)(=O)CC)C1CCCC1 ZINC000190683560 333209822 /nfs/dbraw/zinc/20/98/22/333209822.db2.gz LXBRWKINRLEVQO-UHFFFAOYSA-N 0 3 285.453 2.469 20 30 CEEDHN N#CCCOCCNC1(c2ccccc2)CCOCC1 ZINC000549527360 334196254 /nfs/dbraw/zinc/19/62/54/334196254.db2.gz MRGCSWSQQJQAQK-UHFFFAOYSA-N 0 3 274.364 2.212 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](C)C[C@H](C)C1 ZINC000246607763 334265112 /nfs/dbraw/zinc/26/51/12/334265112.db2.gz HPDIEOGAAWQYAA-QLFBSQMISA-N 0 3 279.428 2.363 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]2CCC[C@H]21 ZINC000247504595 334283058 /nfs/dbraw/zinc/28/30/58/334283058.db2.gz LZOTZXRBFBAKAI-LZWOXQAQSA-N 0 3 277.412 2.305 20 30 CEEDHN C=C(C)CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000249288878 334331409 /nfs/dbraw/zinc/33/14/09/334331409.db2.gz UTRGGBRBXLDQBS-CABCVRRESA-N 0 3 273.380 2.307 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000192510931 335270643 /nfs/dbraw/zinc/27/06/43/335270643.db2.gz SWCIPKDUMAQGLA-DOMZBBRYSA-N 0 3 258.365 2.418 20 30 CEEDHN Cc1ccc(-c2ncc[nH]2)cc1NC(=O)[C@H](N)CCCC#N ZINC000577175578 335315930 /nfs/dbraw/zinc/31/59/30/335315930.db2.gz CMPNFXXQQFGXJG-CYBMUJFWSA-N 0 3 297.362 2.345 20 30 CEEDHN C=CCCCN[C@@H](C)c1nnnn1-c1ccccc1 ZINC000184835938 335935860 /nfs/dbraw/zinc/93/58/60/335935860.db2.gz SYYQMSXLLAUMPO-LBPRGKRZSA-N 0 3 257.341 2.279 20 30 CEEDHN CC1CC(C#N)(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000581228895 336027849 /nfs/dbraw/zinc/02/78/49/336027849.db2.gz KYIQGWJAFPIBKP-UGWHAMFMSA-N 0 3 275.396 2.059 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1[C@@H]1CCCOC1 ZINC000581486223 336087502 /nfs/dbraw/zinc/08/75/02/336087502.db2.gz AIGXWMIPVQAZRS-CVEARBPZSA-N 0 3 294.439 2.302 20 30 CEEDHN C[C@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)CN1 ZINC000334867050 533862522 /nfs/dbraw/zinc/86/25/22/533862522.db2.gz RFYHKSACLXXCRN-UWVGGRQHSA-N 0 3 292.770 2.426 20 30 CEEDHN COc1cc(CN[C@H]2CC[C@@H](C#N)C2)ccc1C#N ZINC000353633461 533906156 /nfs/dbraw/zinc/90/61/56/533906156.db2.gz XUXLABUTOPBJPD-RISCZKNCSA-N 0 3 255.321 2.349 20 30 CEEDHN Cc1c([C@H]2OCC[C@H]2NCCC(C)(C)C#N)cnn1C ZINC000347217658 533959469 /nfs/dbraw/zinc/95/94/69/533959469.db2.gz AJKOJMGVOMVXNG-ZIAGYGMSSA-N 0 3 276.384 2.088 20 30 CEEDHN COc1ccc(F)cc1[C@H](C)NC(=O)C(C)C#N ZINC000347072321 533966803 /nfs/dbraw/zinc/96/68/03/533966803.db2.gz PXGTVIMJIWWTEC-IUCAKERBSA-N 0 3 250.273 2.171 20 30 CEEDHN C[C@@H]1C[C@H](Nc2cncc(C#N)n2)CN1Cc1ccccc1 ZINC000401185899 533971025 /nfs/dbraw/zinc/97/10/25/533971025.db2.gz FAIAWHHLMZANAK-HIFRSBDPSA-N 0 3 293.374 2.423 20 30 CEEDHN CC(C#N)C(=O)NCc1coc(-c2cccs2)n1 ZINC000347039827 534283779 /nfs/dbraw/zinc/28/37/79/534283779.db2.gz QLVNPBPSKUPUIW-MRVPVSSYSA-N 0 3 261.306 2.179 20 30 CEEDHN CC[C@@H](C)N1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000055066444 522122160 /nfs/dbraw/zinc/12/21/60/522122160.db2.gz CFEXDWNXYDVXGQ-OAHLLOKOSA-N 0 3 287.407 2.353 20 30 CEEDHN COC[C@H](C)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000364688793 522625294 /nfs/dbraw/zinc/62/52/94/522625294.db2.gz BVOJXFUHAVUAEF-LBPRGKRZSA-N 0 3 284.363 2.083 20 30 CEEDHN COC(=O)[C@]12CCC[C@H]1CN(Cc1ccc(C#N)cc1)C2 ZINC000363685744 524019850 /nfs/dbraw/zinc/01/98/50/524019850.db2.gz BUEZXFNDIMDRBU-RDJZCZTQSA-N 0 3 284.359 2.333 20 30 CEEDHN C=CCN1CCC(NC(=O)CO[C@H]2CCCC[C@@H]2C)CC1 ZINC000353838586 526421572 /nfs/dbraw/zinc/42/15/72/526421572.db2.gz WJYWMJWQEBOQMY-HOCLYGCPSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1CCC(NC(=O)c2nc(C(C)C)oc2C)CC1 ZINC000352269644 526448928 /nfs/dbraw/zinc/44/89/28/526448928.db2.gz UPDAWLVEDBGTNT-UHFFFAOYSA-N 0 3 291.395 2.487 20 30 CEEDHN C=CCNC(=O)CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000186377771 526571790 /nfs/dbraw/zinc/57/17/90/526571790.db2.gz FYLYNGBSTLSKHL-LBPRGKRZSA-N 0 3 288.391 2.224 20 30 CEEDHN C=C(CNC(=O)N1CCN[C@H](C)[C@@H]1C)c1ccccc1 ZINC000334928323 526867303 /nfs/dbraw/zinc/86/73/03/526867303.db2.gz IOJDLXGYEBQRGT-KGLIPLIRSA-N 0 3 273.380 2.092 20 30 CEEDHN C=CCCCCNC(=O)N(C)CCN1CCCC1 ZINC000353315694 527148082 /nfs/dbraw/zinc/14/80/82/527148082.db2.gz SRVVXVYXHQQVFJ-UHFFFAOYSA-N 0 3 253.390 2.080 20 30 CEEDHN C=CC[C@H](CO)CNCc1ccnn1-c1ccccc1C ZINC000354586202 527185888 /nfs/dbraw/zinc/18/58/88/527185888.db2.gz OWUDCCHNFCPAID-HNNXBMFYSA-N 0 3 285.391 2.455 20 30 CEEDHN C=CCC[C@@H](N[C@H]1CCN(C(C)=O)C1)c1ccco1 ZINC000353611698 527451024 /nfs/dbraw/zinc/45/10/24/527451024.db2.gz DWORWTFOEXHKPS-UONOGXRCSA-N 0 3 262.353 2.497 20 30 CEEDHN CCC1CCC(N(C)CC(=O)NC2(C#N)CCC2)CC1 ZINC000347071904 527840656 /nfs/dbraw/zinc/84/06/56/527840656.db2.gz IZFGIHPZJOWPPM-UHFFFAOYSA-N 0 3 277.412 2.449 20 30 CEEDHN CCN(CC#Cc1ccccc1Cl)C[C@H](C)O ZINC000352202397 527878912 /nfs/dbraw/zinc/87/89/12/527878912.db2.gz JPZNODHDGIDRPK-LBPRGKRZSA-N 0 3 251.757 2.394 20 30 CEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)C(C)C#N ZINC000347074388 528133172 /nfs/dbraw/zinc/13/31/72/528133172.db2.gz RBNAXKAICPJACU-LBPRGKRZSA-N 0 3 255.321 2.457 20 30 CEEDHN CC(C)c1nc([C@@H]2CCCN2C(=O)C(C)C#N)no1 ZINC000332404549 528307964 /nfs/dbraw/zinc/30/79/64/528307964.db2.gz XBZQSTFICWMAEH-UWVGGRQHSA-N 0 3 262.313 2.016 20 30 CEEDHN CC(C)[C@@H]1CCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000332458685 528704535 /nfs/dbraw/zinc/70/45/35/528704535.db2.gz IISUHKGTFMRVOV-HOTGVXAUSA-N 0 3 281.359 2.497 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H]1COCC1(C)C ZINC000313018135 536645794 /nfs/dbraw/zinc/64/57/94/536645794.db2.gz IYSFMUXTVGXWJH-CQSZACIVSA-N 0 3 260.337 2.081 20 30 CEEDHN C[C@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)N(C)C ZINC000726455367 574426522 /nfs/dbraw/zinc/42/65/22/574426522.db2.gz BCIKWAFXWODGQY-SECBINFHSA-N 0 3 296.827 2.448 20 30 CEEDHN C[C@@H](C#N)Oc1ccc(CN(C)CCn2cccn2)cc1 ZINC000125269888 649883146 /nfs/dbraw/zinc/88/31/46/649883146.db2.gz OYNKFNQEOJTCOJ-AWEZNQCLSA-N 0 3 284.363 2.306 20 30 CEEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)Cn2ccnc2)cc1 ZINC000728711887 574468708 /nfs/dbraw/zinc/46/87/08/574468708.db2.gz PYROOZHJXIWWHE-ZIAGYGMSSA-N 0 3 284.363 2.352 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)nc1 ZINC000728813145 574470930 /nfs/dbraw/zinc/47/09/30/574470930.db2.gz IOOWBACOVBFLGA-ZIAGYGMSSA-N 0 3 285.391 2.056 20 30 CEEDHN C=CCOc1cccc(CN[C@@H](C)CN2CCOCC2)c1 ZINC000731449747 574596070 /nfs/dbraw/zinc/59/60/70/574596070.db2.gz RVLICZLQXNATDR-HNNXBMFYSA-N 0 3 290.407 2.062 20 30 CEEDHN CN(C)CCOc1ccc(N(C)C(=O)C(C)(C)C#N)cc1 ZINC000732005494 574609999 /nfs/dbraw/zinc/60/99/99/574609999.db2.gz AEOHLSYJIBSCPZ-UHFFFAOYSA-N 0 3 289.379 2.140 20 30 CEEDHN CN(C(=O)/C=C/c1ccccc1C#N)[C@@H]1CCN(C2CC2)C1 ZINC000732034288 574610271 /nfs/dbraw/zinc/61/02/71/574610271.db2.gz FPYMXSIQWKLMLD-RCMYXZNBSA-N 0 3 295.386 2.267 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@H](C)C(C)(C)C)CC1 ZINC000734337273 574708697 /nfs/dbraw/zinc/70/86/97/574708697.db2.gz SSOXQXBEXRRXBF-ZDUSSCGKSA-N 0 3 264.413 2.130 20 30 CEEDHN C=CC[C@H](C)NC(=O)NC[C@@H](C)N1CCCCC1 ZINC000735187233 574746699 /nfs/dbraw/zinc/74/66/99/574746699.db2.gz MMIPHNHDLUMFOT-QWHCGFSZSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CC[N@H+](Cc1ccc(F)cc1-c1nnn[n-]1)C(C)C ZINC000735419664 574757523 /nfs/dbraw/zinc/75/75/23/574757523.db2.gz YTJRODIRTVJCLS-UHFFFAOYSA-N 0 3 275.331 2.402 20 30 CEEDHN C=CC[N@@H+](Cc1ccc(F)cc1-c1nnn[n-]1)C(C)C ZINC000735419664 574757525 /nfs/dbraw/zinc/75/75/25/574757525.db2.gz YTJRODIRTVJCLS-UHFFFAOYSA-N 0 3 275.331 2.402 20 30 CEEDHN C=CC[N@H+](Cc1ccc(F)cc1-c1nn[n-]n1)C(C)C ZINC000735419664 574757526 /nfs/dbraw/zinc/75/75/26/574757526.db2.gz YTJRODIRTVJCLS-UHFFFAOYSA-N 0 3 275.331 2.402 20 30 CEEDHN C=CC[N@@H+](Cc1ccc(F)cc1-c1nn[n-]n1)C(C)C ZINC000735419664 574757528 /nfs/dbraw/zinc/75/75/28/574757528.db2.gz YTJRODIRTVJCLS-UHFFFAOYSA-N 0 3 275.331 2.402 20 30 CEEDHN N#Cc1cccc(NC2CCN(C[C@@H]3CCCO3)CC2)n1 ZINC000736285057 574781091 /nfs/dbraw/zinc/78/10/91/574781091.db2.gz CUNZZLDYKVJTKA-HNNXBMFYSA-N 0 3 286.379 2.009 20 30 CEEDHN Cc1ccc([C@H](O)CNCc2cccc(C#N)c2)o1 ZINC000741261935 574980026 /nfs/dbraw/zinc/98/00/26/574980026.db2.gz SEFLHCJYRSPSJZ-CQSZACIVSA-N 0 3 256.305 2.283 20 30 CEEDHN CCCCCNC(=S)NN=C1CCN(CC)C[C@@H]1C ZINC000741454723 574987557 /nfs/dbraw/zinc/98/75/57/574987557.db2.gz HDHXNYYIZGQXTA-LBPRGKRZSA-N 0 3 284.473 2.358 20 30 CEEDHN N#Cc1ccc(CNC[C@H]2COc3ccccc3C2)o1 ZINC000742366576 575016954 /nfs/dbraw/zinc/01/69/54/575016954.db2.gz JTGQSBAJYHTSJP-LBPRGKRZSA-N 0 3 268.316 2.492 20 30 CEEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)COC)c1 ZINC000743476986 575104909 /nfs/dbraw/zinc/10/49/09/575104909.db2.gz ODDKHJJXSJZXNF-JSGCOSHPSA-N 0 3 262.353 2.492 20 30 CEEDHN N#CC(C(=O)C1=COCC1)c1nc2ccccc2[nH]1 ZINC000744010123 575112140 /nfs/dbraw/zinc/11/21/40/575112140.db2.gz DQAIBPRQGFWBHL-JTQLQIEISA-N 0 3 253.261 2.043 20 30 CEEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)C(=O)N2CCCC2)o1 ZINC000744024322 575112481 /nfs/dbraw/zinc/11/24/81/575112481.db2.gz RIHCUPWUYYZDNB-NEPJUHHUSA-N 0 3 274.320 2.023 20 30 CEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1Cc2ccccc21 ZINC000744038457 575112508 /nfs/dbraw/zinc/11/25/08/575112508.db2.gz VMISGEZWNPJIIW-CABCVRRESA-N 0 3 282.343 2.094 20 30 CEEDHN C=CCOc1ccccc1C(=O)NCCN1CCC[C@@H]1C ZINC000744346583 575119696 /nfs/dbraw/zinc/11/96/96/575119696.db2.gz ZSCNJDIVOPWSDX-AWEZNQCLSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCNC(=O)NC(=O)CN(C)C1CCCCCCC1 ZINC000748805658 575197081 /nfs/dbraw/zinc/19/70/81/575197081.db2.gz OUBAAWWZAWQBBS-UHFFFAOYSA-N 0 3 281.400 2.043 20 30 CEEDHN C=CCOc1ccc(CNCC2(C)OCCCO2)cc1 ZINC000752923879 575316442 /nfs/dbraw/zinc/31/64/42/575316442.db2.gz IMZIGRVESXGPHE-UHFFFAOYSA-N 0 3 277.364 2.494 20 30 CEEDHN C=C(C)C[N@@H+](CC)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823877622 607481685 /nfs/dbraw/zinc/48/16/85/607481685.db2.gz BUNQAAKTXLQVAD-UHFFFAOYSA-N 0 3 287.367 2.273 20 30 CEEDHN C=C(C)C[N@H+](CC)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823877622 607481686 /nfs/dbraw/zinc/48/16/86/607481686.db2.gz BUNQAAKTXLQVAD-UHFFFAOYSA-N 0 3 287.367 2.273 20 30 CEEDHN C=C(C)C[N@@H+](CC)Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823877622 607481687 /nfs/dbraw/zinc/48/16/87/607481687.db2.gz BUNQAAKTXLQVAD-UHFFFAOYSA-N 0 3 287.367 2.273 20 30 CEEDHN C=C(C)C[N@H+](CC)Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823877622 607481688 /nfs/dbraw/zinc/48/16/88/607481688.db2.gz BUNQAAKTXLQVAD-UHFFFAOYSA-N 0 3 287.367 2.273 20 30 CEEDHN C=CCCC[N@@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000819740072 607066936 /nfs/dbraw/zinc/06/69/36/607066936.db2.gz NODREBYYQPBYOM-UHFFFAOYSA-N 0 3 275.331 2.404 20 30 CEEDHN C=CCCC[N@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000819740072 607066937 /nfs/dbraw/zinc/06/69/37/607066937.db2.gz NODREBYYQPBYOM-UHFFFAOYSA-N 0 3 275.331 2.404 20 30 CEEDHN C=CCCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000819740072 607066939 /nfs/dbraw/zinc/06/69/39/607066939.db2.gz NODREBYYQPBYOM-UHFFFAOYSA-N 0 3 275.331 2.404 20 30 CEEDHN C=CCCC[N@H+](C)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000819740072 607066941 /nfs/dbraw/zinc/06/69/41/607066941.db2.gz NODREBYYQPBYOM-UHFFFAOYSA-N 0 3 275.331 2.404 20 30 CEEDHN C=C[C@H](C)[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823882743 608517640 /nfs/dbraw/zinc/51/76/40/608517640.db2.gz CVHYMPKJCZIYKT-HZMBPMFUSA-N 0 3 269.352 2.408 20 30 CEEDHN C=C[C@H](C)[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823882743 608517642 /nfs/dbraw/zinc/51/76/42/608517642.db2.gz CVHYMPKJCZIYKT-HZMBPMFUSA-N 0 3 269.352 2.408 20 30 CEEDHN C=C(CC)C[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823878437 608530244 /nfs/dbraw/zinc/53/02/44/608530244.db2.gz YWSRIEFXVHSWGA-UHFFFAOYSA-N 0 3 269.352 2.412 20 30 CEEDHN C=C(CC)C[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823878437 608530245 /nfs/dbraw/zinc/53/02/45/608530245.db2.gz YWSRIEFXVHSWGA-UHFFFAOYSA-N 0 3 269.352 2.412 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC000970518759 612960020 /nfs/dbraw/zinc/96/00/20/612960020.db2.gz WPNZNHKGJOWCFH-MRXNPFEDSA-N 0 3 284.403 2.096 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)CC2CC(c3ccccc3)C2)C1 ZINC000969140763 612960223 /nfs/dbraw/zinc/96/02/23/612960223.db2.gz 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/nfs/dbraw/zinc/00/31/59/613003159.db2.gz BSXVAGLZFXXJTI-UHFFFAOYSA-N 0 3 298.430 2.404 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC000967780602 613015423 /nfs/dbraw/zinc/01/54/23/613015423.db2.gz REKFUCKAGKKRDW-GDBMZVCRSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2)C1 ZINC000964654066 613015704 /nfs/dbraw/zinc/01/57/04/613015704.db2.gz DHZSWLPDRMDXLS-CZUORRHYSA-N 0 3 288.366 2.289 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC000968524697 613022521 /nfs/dbraw/zinc/02/25/21/613022521.db2.gz GMCVJEPALAOEJC-STQMWFEESA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC000975012714 613031811 /nfs/dbraw/zinc/03/18/11/613031811.db2.gz SIBUFQTYZVZZLC-RBSFLKMASA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)nc(C)c2)C(C)(C)C1 ZINC000974633633 613032330 /nfs/dbraw/zinc/03/23/30/613032330.db2.gz QZDAJFBPYFATFM-MRXNPFEDSA-N 0 3 299.418 2.162 20 30 CEEDHN 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C=CCN1CC[C@H](NC(=O)c2ccn(C(F)F)n2)C[C@H]1C ZINC000947351901 613792904 /nfs/dbraw/zinc/79/29/04/613792904.db2.gz GXLCJZASDXWTRF-MNOVXSKESA-N 0 3 298.337 2.047 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cn(C(C)C)cn2)[C@H](C)C1 ZINC000942528895 613794179 /nfs/dbraw/zinc/79/41/79/613794179.db2.gz ANTKCHTUUAOEAR-KGLIPLIRSA-N 0 3 290.411 2.090 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3cc[nH]c3c2)C[C@H]1C ZINC000947442203 613796570 /nfs/dbraw/zinc/79/65/70/613796570.db2.gz RCVJKAXYKURYGZ-OCCSQVGLSA-N 0 3 298.390 2.332 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cocc2C)C[C@@H]1C ZINC000947624482 613798394 /nfs/dbraw/zinc/79/83/94/613798394.db2.gz IODAZULSTJEXPV-STQMWFEESA-N 0 3 262.353 2.357 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2coc(C)c2)[C@@H](C)C1 ZINC000941996717 613798400 /nfs/dbraw/zinc/79/84/00/613798400.db2.gz MZPQJLQXWRNALZ-FZMZJTMJSA-N 0 3 262.353 2.214 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ncccc2C)[C@@H](C)C1 ZINC000941906878 613799994 /nfs/dbraw/zinc/79/99/94/613799994.db2.gz ITQIRXKAERJUBR-KBPBESRZSA-N 0 3 273.380 2.016 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2onc(C)c2C)C[C@@H]1C ZINC000947430622 613801516 /nfs/dbraw/zinc/80/15/16/613801516.db2.gz SATVALMPLFDBRF-GWCFXTLKSA-N 0 3 277.368 2.060 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ocnc2CC)C[C@@H]1C ZINC000947716322 613801589 /nfs/dbraw/zinc/80/15/89/613801589.db2.gz UOAHRVKTRWYTQG-RYUDHWBXSA-N 0 3 277.368 2.006 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ocnc2C2CC2)[C@@H](C)C1 ZINC000942840244 613801958 /nfs/dbraw/zinc/80/19/58/613801958.db2.gz VOYPAPCMOLNBGW-AAEUAGOBSA-N 0 3 289.379 2.178 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(c2ccccc2C)CC1 ZINC000963056379 613837293 /nfs/dbraw/zinc/83/72/93/613837293.db2.gz MLGCEUNGRWYWHJ-QLPKVWCKSA-N 0 3 296.414 2.259 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)c1cccs1 ZINC000961745232 613838688 /nfs/dbraw/zinc/83/86/88/613838688.db2.gz QPGRCMOCMVYURR-CIQGVGRVSA-N 0 3 276.405 2.084 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000959874766 613838952 /nfs/dbraw/zinc/83/89/52/613838952.db2.gz UCCHZNXBZVPLCE-KBXIAJHMSA-N 0 3 274.408 2.189 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C=C)cc1 ZINC000961855689 613841950 /nfs/dbraw/zinc/84/19/50/613841950.db2.gz BKJXSSGEFKVILB-ZSHCYNCHSA-N 0 3 268.360 2.176 20 30 CEEDHN CCC(=O)NC1CC(CNCc2cc(C#N)ccc2F)C1 ZINC000961435361 614837678 /nfs/dbraw/zinc/83/76/78/614837678.db2.gz MMCKTXMNWNBTDS-UHFFFAOYSA-N 0 3 289.354 2.092 20 30 CEEDHN CC[C@@H](F)C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000969603054 615506359 /nfs/dbraw/zinc/50/63/59/615506359.db2.gz MSRVLRBNNTWZFJ-ZWNOBZJWSA-N 0 3 295.383 2.058 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C)n1C ZINC001024319423 625514379 /nfs/dbraw/zinc/51/43/79/625514379.db2.gz ICJGPDINJOTRFF-OAHLLOKOSA-N 0 3 289.423 2.494 20 30 CEEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1c(C)noc1C ZINC001024324523 625518185 /nfs/dbraw/zinc/51/81/85/625518185.db2.gz YDDKECONGVOORH-CQSZACIVSA-N 0 3 291.395 2.452 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cncc(F)c1 ZINC001024388527 625539904 /nfs/dbraw/zinc/53/99/04/625539904.db2.gz KJSMVANDMPSIJW-OAHLLOKOSA-N 0 3 291.370 2.381 20 30 CEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCCOCC1 ZINC001024417039 625548707 /nfs/dbraw/zinc/54/87/07/625548707.db2.gz PHZCQFMSJDKMHC-CVEARBPZSA-N 0 3 294.439 2.350 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1[nH]ccc1C ZINC001024418838 625548914 /nfs/dbraw/zinc/54/89/14/625548914.db2.gz PKCTZELIWJRKLY-CQSZACIVSA-N 0 3 275.396 2.484 20 30 CEEDHN C=C(C)CNN=C(C)c1ccc(N2CCOCC2)cc1 ZINC000811651377 622622928 /nfs/dbraw/zinc/62/29/28/622622928.db2.gz UOIYEKNTESUUBH-UHFFFAOYSA-N 0 3 273.380 2.413 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001020719409 622850470 /nfs/dbraw/zinc/85/04/70/622850470.db2.gz IEOHXQQPGBGFIV-XDQVBPFNSA-N 0 3 282.815 2.412 20 30 CEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCC2CC2)C1 ZINC001021542321 623267898 /nfs/dbraw/zinc/26/78/98/623267898.db2.gz FUYNFYAJBJUUFE-HZPDHXFCSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)C(F)=C(C)C)C1 ZINC001021559424 623289064 /nfs/dbraw/zinc/28/90/64/623289064.db2.gz RCKFTEGAWKTMHJ-KGLIPLIRSA-N 0 3 278.371 2.196 20 30 CEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001024557369 625639126 /nfs/dbraw/zinc/63/91/26/625639126.db2.gz SNDHRKISZBTXMF-INIZCTEOSA-N 0 3 299.418 2.306 20 30 CEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2[nH]c(C)cc2C)C1 ZINC001021613729 623341283 /nfs/dbraw/zinc/34/12/83/623341283.db2.gz BGWQKHCDOZZWAS-HZPDHXFCSA-N 0 3 299.418 2.191 20 30 CEEDHN C=CC(C)(C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000891266339 623342584 /nfs/dbraw/zinc/34/25/84/623342584.db2.gz LLMWUJAFCNIZIV-CQSZACIVSA-N 0 3 256.365 2.280 20 30 CEEDHN N#CC(C(=O)CCF)C(=O)Nc1ccccc1Cl ZINC000892488931 625648776 /nfs/dbraw/zinc/64/87/76/625648776.db2.gz AKAXTGBSOQOPGJ-MRVPVSSYSA-N 0 3 268.675 2.347 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2nocc2C)C1 ZINC001021711659 623421329 /nfs/dbraw/zinc/42/13/29/623421329.db2.gz ZPUPKZZOUMSONH-ZIAGYGMSSA-N 0 3 289.379 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C#CCN1CC[C@@]2(NC(=O)CC3CCCC3)CCC[C@@H]12 ZINC000989922091 632279866 /nfs/dbraw/zinc/27/98/66/632279866.db2.gz NUKJCZVNWLYUSC-WBVHZDCISA-N 0 3 274.408 2.313 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(C)n3C)CCC[C@@H]12 ZINC000989935852 632285146 /nfs/dbraw/zinc/28/51/46/632285146.db2.gz MONFCZMWYRRGQW-WBVHZDCISA-N 0 3 287.407 2.246 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnccc3C)CCC[C@H]12 ZINC000990121638 632316284 /nfs/dbraw/zinc/31/62/84/632316284.db2.gz RAWOGMAVLWMPQL-RDJZCZTQSA-N 0 3 285.391 2.303 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)C3CC(F)(F)C3)CCC[C@@H]12 ZINC000990121578 632316768 /nfs/dbraw/zinc/31/67/68/632316768.db2.gz PVQDAEWNMRJUGL-OCCSQVGLSA-N 0 3 284.350 2.331 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)[C@H]3CC3(C)C)CCC[C@H]12 ZINC000990276111 632334076 /nfs/dbraw/zinc/33/40/76/632334076.db2.gz KOPKRXNFBZGFGL-KEYYUXOJSA-N 0 3 274.408 2.169 20 30 CEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3coc(C)n3)CCC[C@@H]12 ZINC000990378532 632342552 /nfs/dbraw/zinc/34/25/52/632342552.db2.gz 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/nfs/dbraw/zinc/31/98/56/650319856.db2.gz QDVXRWIGQDICLL-SNVBAGLBSA-N 0 3 284.743 2.112 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000876588751 650347137 /nfs/dbraw/zinc/34/71/37/650347137.db2.gz PATBLJKQNQHGMJ-CABZTGNLSA-N 0 3 297.742 2.242 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)CCO2 ZINC000876597540 650353224 /nfs/dbraw/zinc/35/32/24/650353224.db2.gz NZKXGSHKYOLIBT-NSHDSACASA-N 0 3 266.728 2.030 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(CCOC)C(CC)CC ZINC000876600973 650354952 /nfs/dbraw/zinc/35/49/52/650354952.db2.gz WIQSELAHHVBYEP-LBPRGKRZSA-N 0 3 276.808 2.120 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCOc1c(C)cccc1C ZINC000876605825 650356682 /nfs/dbraw/zinc/35/66/82/650356682.db2.gz ZPALTESVALVZNH-ZDUSSCGKSA-N 0 3 296.798 2.268 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)Cc1ccsc1 ZINC000876612661 650358814 /nfs/dbraw/zinc/35/88/14/650358814.db2.gz SKWUIXUDOHLHEY-ONGXEEELSA-N 0 3 272.801 2.265 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cnc(C(C)(C)C)nc1 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C#CCN(C)CCCNC(=O)N[C@@H](C)CCC(C)C ZINC000836203787 638572799 /nfs/dbraw/zinc/57/27/99/638572799.db2.gz UAFGSQSKVKQDHJ-AWEZNQCLSA-N 0 3 267.417 2.065 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000836300459 638593919 /nfs/dbraw/zinc/59/39/19/638593919.db2.gz QOZODSXLFIKIOH-QLFBSQMISA-N 0 3 279.428 2.065 20 30 CEEDHN CN1CCN(c2ccnc(C#N)c2)[C@H](Cc2ccccc2)C1 ZINC000912238140 638611052 /nfs/dbraw/zinc/61/10/52/638611052.db2.gz VMAJHBQNIPDQEE-GOSISDBHSA-N 0 3 292.386 2.316 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000836488098 638648365 /nfs/dbraw/zinc/64/83/65/638648365.db2.gz LIEPSJNKPJOEHB-CABCVRRESA-N 0 3 279.428 2.067 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CCCC1(C)C ZINC000836491513 638648873 /nfs/dbraw/zinc/64/88/73/638648873.db2.gz VTZRFDFDOXQLPM-CQSZACIVSA-N 0 3 279.428 2.067 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(OCCOC)c1 ZINC000912418472 638688074 /nfs/dbraw/zinc/68/80/74/638688074.db2.gz HDSXMPGMAFWZLJ-OAHLLOKOSA-N 0 3 292.379 2.334 20 30 CEEDHN C#Cc1cccc(CNC(=O)[C@H]2CCCCN2CC)c1 ZINC000837106690 639055207 /nfs/dbraw/zinc/05/52/07/639055207.db2.gz RWXFSANLLUXPAD-MRXNPFEDSA-N 0 3 270.376 2.159 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccncc1)C1CC1 ZINC000876873832 650467952 /nfs/dbraw/zinc/46/79/52/650467952.db2.gz RNBGHIXTANUIFX-CYBMUJFWSA-N 0 3 279.771 2.043 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)[C@@H](C)c1cccnc1 ZINC000876884131 650473089 /nfs/dbraw/zinc/47/30/89/650473089.db2.gz IXLNEXSUFMNTJX-WCQYABFASA-N 0 3 281.787 2.461 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](OCC)c1ccccc1 ZINC000876901291 650478684 /nfs/dbraw/zinc/47/86/84/650478684.db2.gz BTOSNFSTYDVQAE-UONOGXRCSA-N 0 3 296.798 2.350 20 30 CEEDHN C[C@@H]1CN(CCCCNC(=O)C#CC(C)(C)C)C[C@H](C)O1 ZINC000837460340 639238993 /nfs/dbraw/zinc/23/89/93/639238993.db2.gz YLNOXYZMFRTWKD-GASCZTMLSA-N 0 3 294.439 2.042 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000876905435 650480664 /nfs/dbraw/zinc/48/06/64/650480664.db2.gz HMWMWKRSMJLLCM-JKOKRWQUSA-N 0 3 270.804 2.495 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H](CCOC)C1 ZINC000876907219 650481420 /nfs/dbraw/zinc/48/14/20/650481420.db2.gz CKHFANWBWLPJGZ-QWHCGFSZSA-N 0 3 288.819 2.122 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000876907329 650481512 /nfs/dbraw/zinc/48/15/12/650481512.db2.gz AXMKXGJPAIVVRY-CYBMUJFWSA-N 0 3 296.798 2.138 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc2c(s1)CCCC2 ZINC000876550611 639297253 /nfs/dbraw/zinc/29/72/53/639297253.db2.gz INJMEMSIXWBTDH-QMMMGPOBSA-N 0 3 285.800 2.430 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)C1CCC(C)CC1 ZINC000876560992 639300504 /nfs/dbraw/zinc/30/05/04/639300504.db2.gz ILYJSCOHPCEIBP-QEWOUOOISA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1cc2ccccc2[nH]1 ZINC000876941207 650496991 /nfs/dbraw/zinc/49/69/91/650496991.db2.gz BDACTDGEBKWWIR-ZDUSSCGKSA-N 0 3 291.782 2.297 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)OCCN(C)Cc1ccccc1 ZINC000838001697 639473156 /nfs/dbraw/zinc/47/31/56/639473156.db2.gz IQZWONHAGGLGNL-CVEARBPZSA-N 0 3 289.375 2.253 20 30 CEEDHN CC(C)(C)OC(=O)NC[C@H]1CCN(CCCC#N)C1 ZINC000170648004 639667111 /nfs/dbraw/zinc/66/71/11/639667111.db2.gz NDBCVVUQEHWNGT-GFCCVEGCSA-N 0 3 267.373 2.137 20 30 CEEDHN Cc1cc(N(C)C)ccc1C=NNCC(C)(C)CO ZINC000841637378 639805243 /nfs/dbraw/zinc/80/52/43/639805243.db2.gz RWABZERAZQSWFA-UHFFFAOYSA-N 0 3 263.385 2.003 20 30 CEEDHN C#CCCCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000174125443 639901342 /nfs/dbraw/zinc/90/13/42/639901342.db2.gz GSUKRSMPYSRNNK-HNNXBMFYSA-N 0 3 287.407 2.220 20 30 CEEDHN CCCCCCCCCN(C)C(=O)NC[C@H]1CNCCO1 ZINC000842012435 639918746 /nfs/dbraw/zinc/91/87/46/639918746.db2.gz WTRFEDWDSNNOAE-OAHLLOKOSA-N 0 3 299.459 2.367 20 30 CEEDHN N#CC1(CONC(=N)COc2ccccc2F)CCC1 ZINC000842042210 639929542 /nfs/dbraw/zinc/92/95/42/639929542.db2.gz QUIFDUADCBNKIS-UHFFFAOYSA-N 0 3 277.299 2.397 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3cccc(C)c3)CCC[C@H]12 ZINC000992154146 639976316 /nfs/dbraw/zinc/97/63/16/639976316.db2.gz PCOIJTSUEROMJW-HKUYNNGSSA-N 0 3 296.414 2.284 20 30 CEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3conc3C)CCC[C@@H]12 ZINC000992165206 639978985 /nfs/dbraw/zinc/97/89/85/639978985.db2.gz ZTGQKICUVNMEQW-ZBFHGGJFSA-N 0 3 289.379 2.286 20 30 CEEDHN C#CCN(C(=O)NCC1CCCCC1)C1CCN(C)CC1 ZINC000913838756 640130231 /nfs/dbraw/zinc/13/02/31/640130231.db2.gz XDUUAYACENYWIL-UHFFFAOYSA-N 0 3 291.439 2.306 20 30 CEEDHN C#CCN(C(=O)NCCCC(C)C)C1CCN(C)CC1 ZINC000914065733 640209185 /nfs/dbraw/zinc/20/91/85/640209185.db2.gz DJQXHEIODRAXBO-UHFFFAOYSA-N 0 3 279.428 2.162 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)C2CCC2)[C@@H]1C ZINC000992939829 640376316 /nfs/dbraw/zinc/37/63/16/640376316.db2.gz FPRKJOIWOKGLQI-JSGCOSHPSA-N 0 3 250.386 2.332 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2COC[C@@H]2C2CC2)c(F)c1 ZINC000914436558 640407717 /nfs/dbraw/zinc/40/77/17/640407717.db2.gz XXPBBYPSNDVFQC-UKRRQHHQSA-N 0 3 260.312 2.212 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2occc2C)[C@@H]1C ZINC000993040988 640411025 /nfs/dbraw/zinc/41/10/25/640411025.db2.gz SBHDPPXUJPGCAV-UONOGXRCSA-N 0 3 274.364 2.194 20 30 CEEDHN C#CC[C@@H]1CCCN(Cc2cnc(N(C)C)s2)C1 ZINC000843423811 640424638 /nfs/dbraw/zinc/42/46/38/640424638.db2.gz KFOIIJOGEMLUAE-GFCCVEGCSA-N 0 3 263.410 2.444 20 30 CEEDHN CS[C@H](C)CNCc1cc(C#N)cnc1Cl ZINC000877110765 650577525 /nfs/dbraw/zinc/57/75/25/650577525.db2.gz BAJWHCYYGPEHFO-MRVPVSSYSA-N 0 3 255.774 2.448 20 30 CEEDHN C=C[C@H](C)NC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000843441052 640431864 /nfs/dbraw/zinc/43/18/64/640431864.db2.gz QYIHCCUUBMFIPF-KWQFWETISA-N 0 3 267.760 2.124 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC000993175124 640506943 /nfs/dbraw/zinc/50/69/43/640506943.db2.gz YSNGBFMJOXKBNX-OCCSQVGLSA-N 0 3 286.379 2.045 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ocnc2C)[C@H]1C ZINC000993189260 640527518 /nfs/dbraw/zinc/52/75/18/640527518.db2.gz WYWLZPVUQWYRLP-CHWSQXEVSA-N 0 3 277.368 2.142 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccn(C)c2)[C@@H]1C ZINC000993195347 640538808 /nfs/dbraw/zinc/53/88/08/640538808.db2.gz FVNKHOMKCAQHAQ-DZGCQCFKSA-N 0 3 275.396 2.184 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2[nH]ccc2C)[C@@H]1C ZINC000993300909 640575734 /nfs/dbraw/zinc/57/57/34/640575734.db2.gz YFXJXAATGJREBP-UONOGXRCSA-N 0 3 275.396 2.482 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC000993313897 640590226 /nfs/dbraw/zinc/59/02/26/640590226.db2.gz OOZAFGRAWAHIHS-GDBMZVCRSA-N 0 3 274.408 2.479 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2onc(C)c2C)[C@H]1C ZINC000993474473 640647649 /nfs/dbraw/zinc/64/76/49/640647649.db2.gz ZBRPUKBEYKBHRW-ZIAGYGMSSA-N 0 3 291.395 2.450 20 30 CEEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccccc2)[C@@H]1C ZINC000993497850 640650353 /nfs/dbraw/zinc/65/03/53/640650353.db2.gz LESCSDFINGALBD-HOCLYGCPSA-N 0 3 272.392 2.384 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C)cc(C)n2)[C@H]1C ZINC000993496368 640650514 /nfs/dbraw/zinc/65/05/14/640650514.db2.gz ACPQTWXZPNNDNF-CVEARBPZSA-N 0 3 299.418 2.304 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001015670799 640650987 /nfs/dbraw/zinc/65/09/87/640650987.db2.gz PXMJYDVPYUWIAS-ZIAGYGMSSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc[nH]c2C2CC2)[C@@H]1C ZINC000993707611 640668355 /nfs/dbraw/zinc/66/83/55/640668355.db2.gz BBJOLLJKKSVTNH-XJKSGUPXSA-N 0 3 299.418 2.498 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1C ZINC000993702499 640670804 /nfs/dbraw/zinc/67/08/04/640670804.db2.gz JYDBNUDIZUOWPM-RBZJEDDUSA-N 0 3 274.408 2.025 20 30 CEEDHN C#Cc1cncc(C(=O)N[C@@H]2CCCN(CC(=C)C)[C@H]2C)c1 ZINC000993772951 640676843 /nfs/dbraw/zinc/67/68/43/640676843.db2.gz PITAIWZNJJINBC-WMLDXEAASA-N 0 3 297.402 2.222 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C2CC3(CC3)C2)[C@@H]1C ZINC000993815598 640679612 /nfs/dbraw/zinc/67/96/12/640679612.db2.gz JOXQVZIEFDREOK-ZFWWWQNUSA-N 0 3 274.408 2.169 20 30 CEEDHN C=CCN1CCC[C@H](NC(=O)Cc2cccnc2C)[C@@H]1C ZINC000993825846 640681222 /nfs/dbraw/zinc/68/12/22/640681222.db2.gz FBJMNMFXJUWVAP-HOCLYGCPSA-N 0 3 287.407 2.088 20 30 CEEDHN COc1ccc(C2CCN(CCO[C@H](C)C#N)CC2)nc1 ZINC000844352549 640688579 /nfs/dbraw/zinc/68/85/79/640688579.db2.gz ZZMXHNCUCVAPEA-CYBMUJFWSA-N 0 3 289.379 2.198 20 30 CEEDHN CN(C[C@H](O)c1ccccc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365850 640694122 /nfs/dbraw/zinc/69/41/22/640694122.db2.gz FPCFQQNYXDBQCZ-ZWKOTPCHSA-N 0 3 296.370 2.257 20 30 CEEDHN CN(C[C@H](O)c1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844365849 640694183 /nfs/dbraw/zinc/69/41/83/640694183.db2.gz FPCFQQNYXDBQCZ-ROUUACIJSA-N 0 3 296.370 2.257 20 30 CEEDHN C=CCNC(=S)N(CCc1ccccc1)CCN(C)C ZINC000916016884 640719293 /nfs/dbraw/zinc/71/92/93/640719293.db2.gz VLOVGPYURXGDTJ-UHFFFAOYSA-N 0 3 291.464 2.153 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)COC1CCCC1 ZINC000916874624 640826573 /nfs/dbraw/zinc/82/65/73/640826573.db2.gz GKENPDDNYTYPKI-CQSZACIVSA-N 0 3 294.395 2.351 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001015755186 640832905 /nfs/dbraw/zinc/83/29/05/640832905.db2.gz KTRNTQHVFJIVFP-MSOLQXFVSA-N 0 3 296.414 2.005 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C(C)(C)OC)CC1 ZINC000917098569 640849056 /nfs/dbraw/zinc/84/90/56/640849056.db2.gz ZDWHNQBMTVPGIF-ZDUSSCGKSA-N 0 3 297.443 2.140 20 30 CEEDHN C#CCN(CC)C[C@H](O)COc1c(C)ccc(C)c1C ZINC000920094559 641113738 /nfs/dbraw/zinc/11/37/38/641113738.db2.gz FVIUIHUFNIXDAK-INIZCTEOSA-N 0 3 275.392 2.307 20 30 CEEDHN N=C(N)NN=C1CCCOc2c(Cl)c(Cl)ccc21 ZINC000921139031 641229107 /nfs/dbraw/zinc/22/91/07/641229107.db2.gz DXXWDYLJMNUEBD-UHFFFAOYSA-N 0 3 287.150 2.353 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)Cc1ccc(F)cc1 ZINC000921130966 641229118 /nfs/dbraw/zinc/22/91/18/641229118.db2.gz DXTCWSFYORQZTH-RISCZKNCSA-N 0 3 290.338 2.238 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccccc1O ZINC000877255613 650644424 /nfs/dbraw/zinc/64/44/24/650644424.db2.gz FNGBHNGJLIOXHR-KOLCDFICSA-N 0 3 268.744 2.039 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cc2cnccc2o1 ZINC000877269188 650647945 /nfs/dbraw/zinc/64/79/45/650647945.db2.gz AZDAVLIGPRSCCJ-MWLCHTKSSA-N 0 3 293.754 2.475 20 30 CEEDHN CCCCCCCCN1CC[C@H](S(=O)(=O)NCC)C1 ZINC000179454623 641351334 /nfs/dbraw/zinc/35/13/34/641351334.db2.gz WZFMEDBTXWAGGB-AWEZNQCLSA-N 0 3 290.473 2.361 20 30 CEEDHN CCN1C[C@@H](CN[C@H](C)c2cccc(C#N)c2)OC1=O ZINC000846844529 641450919 /nfs/dbraw/zinc/45/09/19/641450919.db2.gz NXWIOMFYWVBHQU-BXUZGUMPSA-N 0 3 273.336 2.050 20 30 CEEDHN N#Cc1ccc(CN2CCCCC[C@@H]2CO)s1 ZINC000847013702 641520960 /nfs/dbraw/zinc/52/09/60/641520960.db2.gz GKAHKNRKFIHIGH-LLVKDONJSA-N 0 3 250.367 2.357 20 30 CEEDHN C#C[C@@H]1CCCN(C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000847020408 641525976 /nfs/dbraw/zinc/52/59/76/641525976.db2.gz BJOMFMUOAJNBGW-ZBFHGGJFSA-N 0 3 284.359 2.357 20 30 CEEDHN C#C[C@@H]1CCCN(C[C@H](O)c2cc(OC)ccc2OC)C1 ZINC000847038786 641541820 /nfs/dbraw/zinc/54/18/20/641541820.db2.gz YUGFLCASXKXRCK-CJNGLKHVSA-N 0 3 289.375 2.082 20 30 CEEDHN C[C@@H](C#N)CNCC1(CNC(=O)OC(C)(C)C)CCC1 ZINC000877321866 650675348 /nfs/dbraw/zinc/67/53/48/650675348.db2.gz VGKFEDLQQFEWDY-LBPRGKRZSA-N 0 3 281.400 2.431 20 30 CEEDHN CC(C)COCCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000069953087 641619981 /nfs/dbraw/zinc/61/99/81/641619981.db2.gz GKRISTDHRSPAQF-CQSZACIVSA-N 0 3 294.395 2.207 20 30 CEEDHN C=CCN1CCC(NC(=O)/C(C)=C/c2ccncc2)CC1 ZINC000847452524 641668146 /nfs/dbraw/zinc/66/81/46/641668146.db2.gz UCDUPLVFRALFPI-BUHFOSPRSA-N 0 3 285.391 2.252 20 30 CEEDHN C[C@@H]1CN(Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)C1CC1 ZINC000941706678 641738781 /nfs/dbraw/zinc/73/87/81/641738781.db2.gz ADJBUODJQGZNCV-DYVFJYSZSA-N 0 3 297.402 2.295 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(F)ccc1N(C)C ZINC000877385387 650696982 /nfs/dbraw/zinc/69/69/82/650696982.db2.gz OGVKYJPHMGLTDI-SNVBAGLBSA-N 0 3 285.750 2.300 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000185995356 642055006 /nfs/dbraw/zinc/05/50/06/642055006.db2.gz KLKVUFOYVWCSMG-NVXWUHKLSA-N 0 3 299.418 2.453 20 30 CEEDHN N#Cc1cnc(Cl)c(CN[C@H]2CCC[C@@H]2CCO)c1 ZINC000877442504 650723612 /nfs/dbraw/zinc/72/36/12/650723612.db2.gz LENVSSOMTXEYFI-YPMHNXCESA-N 0 3 279.771 2.247 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)C2CCCCC2)CC1 ZINC000996891371 642152468 /nfs/dbraw/zinc/15/24/68/642152468.db2.gz SXCKLKKHDHWVOH-CQSZACIVSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(C)nc(C)c2)CC1 ZINC000997114019 642199842 /nfs/dbraw/zinc/19/98/42/642199842.db2.gz BGOPKDYISSRYIO-OAHLLOKOSA-N 0 3 299.418 2.162 20 30 CEEDHN N#C[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)C1CCCC1 ZINC000921547930 642227296 /nfs/dbraw/zinc/22/72/96/642227296.db2.gz SNQQPPGWONXZAP-GJZGRUSLSA-N 0 3 275.396 2.059 20 30 CEEDHN N#Cc1cc(CN[C@@H]2CCN(CC(F)(F)F)C2)cs1 ZINC000921630541 642288568 /nfs/dbraw/zinc/28/85/68/642288568.db2.gz SOHSZTRPFJZIOD-SNVBAGLBSA-N 0 3 289.326 2.346 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC000997740682 642320978 /nfs/dbraw/zinc/32/09/78/642320978.db2.gz CJAQGAQEHKRJGP-YXJHDRRASA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cnccc2C)CC1 ZINC000997978913 642351221 /nfs/dbraw/zinc/35/12/21/642351221.db2.gz TXORYXOLODESNZ-INIZCTEOSA-N 0 3 299.418 2.340 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC001016073709 642354840 /nfs/dbraw/zinc/35/48/40/642354840.db2.gz DAZRCTYUOGJOGU-HNNXBMFYSA-N 0 3 297.402 2.477 20 30 CEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CC2(F)F)CC1 ZINC000998000715 642354886 /nfs/dbraw/zinc/35/48/86/642354886.db2.gz OZRAHRVQRHBQNH-ZIAGYGMSSA-N 0 3 298.377 2.368 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)CC2CC2)CC[C@H]1C(F)(F)F ZINC000998213648 642373917 /nfs/dbraw/zinc/37/39/17/642373917.db2.gz CQENLDZOQBZLJO-VXGBXAGGSA-N 0 3 290.329 2.342 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cnccc2C)C1 ZINC000998579369 642420740 /nfs/dbraw/zinc/42/07/40/642420740.db2.gz WDBJGCHJOBVBIN-UHFFFAOYSA-N 0 3 293.798 2.335 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001016142105 642478580 /nfs/dbraw/zinc/47/85/80/642478580.db2.gz RORXDYVOCNURNF-RUXDESIVSA-N 0 3 298.377 2.272 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccnc(C)c2)C1 ZINC000999573841 642498067 /nfs/dbraw/zinc/49/80/67/642498067.db2.gz RTAXMLGWYKHKOV-UHFFFAOYSA-N 0 3 293.798 2.335 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C(C)(C)C)C1 ZINC000999725254 642507339 /nfs/dbraw/zinc/50/73/39/642507339.db2.gz GZEDNGFUAPVPER-UHFFFAOYSA-N 0 3 258.793 2.364 20 30 CEEDHN CO[C@H](C)CN(C)Cc1cc(C#N)ccc1N(C)C ZINC000877523203 650765059 /nfs/dbraw/zinc/76/50/59/650765059.db2.gz JDFIKJGWCKXMMS-GFCCVEGCSA-N 0 3 261.369 2.091 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3CC=CCC3)CC2)CC1 ZINC001000074643 642533427 /nfs/dbraw/zinc/53/34/27/642533427.db2.gz GXPVRQOORZPNAQ-OAHLLOKOSA-N 0 3 286.419 2.337 20 30 CEEDHN CC#CCN1CCC(C2(NC(=O)c3[nH]ccc3C)CC2)CC1 ZINC001000144151 642540194 /nfs/dbraw/zinc/54/01/94/642540194.db2.gz USNGROBBTQLIET-UHFFFAOYSA-N 0 3 299.418 2.321 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3CCC3(C)C)CC2)CC1 ZINC001000249928 642571939 /nfs/dbraw/zinc/57/19/39/642571939.db2.gz UFOINKWOALKILL-HNNXBMFYSA-N 0 3 288.435 2.417 20 30 CEEDHN CS(=O)(=O)[C@H]1CCC[C@@H](NCc2csc(C#N)c2)C1 ZINC000921769226 642600417 /nfs/dbraw/zinc/60/04/17/642600417.db2.gz BXYSGAGZUQBWTM-YPMHNXCESA-N 0 3 298.433 2.065 20 30 CEEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001000758977 642649929 /nfs/dbraw/zinc/64/99/29/642649929.db2.gz KFQMZHLWULGSDU-ZDUSSCGKSA-N 0 3 284.350 2.356 20 30 CEEDHN C#C[C@@H](NCc1cc(C)c(C(=O)OC)[nH]1)C(C)(C)C ZINC000877535101 650773784 /nfs/dbraw/zinc/77/37/84/650773784.db2.gz USOAAJMFYFPMTN-GFCCVEGCSA-N 0 3 262.353 2.247 20 30 CEEDHN C#Cc1ccc(CNCC[S@@](=O)CC(F)(F)F)cc1 ZINC000850349270 642676285 /nfs/dbraw/zinc/67/62/85/642676285.db2.gz DXPUMSVKGQTPAP-LJQANCHMSA-N 0 3 289.322 2.069 20 30 CEEDHN C=CCC1(NCc2ncc(CN(C)C)s2)CCOCC1 ZINC000850367814 642684271 /nfs/dbraw/zinc/68/42/71/642684271.db2.gz FLFOUXVRPOUPAO-UHFFFAOYSA-N 0 3 295.452 2.420 20 30 CEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2Cc3ccccc32)CC1 ZINC001001104668 642685429 /nfs/dbraw/zinc/68/54/29/642685429.db2.gz HJNOIYNOBRNWOZ-QGZVFWFLSA-N 0 3 282.387 2.261 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2sccc2OC)CC1 ZINC001001392090 642719380 /nfs/dbraw/zinc/71/93/80/642719380.db2.gz AGZIAUDQQBUNIS-UHFFFAOYSA-N 0 3 292.404 2.305 20 30 CEEDHN C#CCN1CCC(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001001433588 642722186 /nfs/dbraw/zinc/72/21/86/642722186.db2.gz IHWNBSZXEVJDIS-HYVNUMGLSA-N 0 3 286.419 2.050 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2cc(C)sc2C)CC1 ZINC001001597814 642730265 /nfs/dbraw/zinc/73/02/65/642730265.db2.gz HJYIMMNJWNILLL-UHFFFAOYSA-N 0 3 290.432 2.440 20 30 CEEDHN CC#CCN1CCC(CNC(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC001002006441 642751296 /nfs/dbraw/zinc/75/12/96/642751296.db2.gz UBRDOZUTCIPYSS-WBVHZDCISA-N 0 3 276.424 2.274 20 30 CEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCCF ZINC000850760138 642776847 /nfs/dbraw/zinc/77/68/47/642776847.db2.gz WHDUGEYUANZOPG-JTQLQIEISA-N 0 3 278.283 2.092 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1OC(=O)C1CCN(C)C1=O ZINC000851141567 642933464 /nfs/dbraw/zinc/93/34/64/642933464.db2.gz BFLNNLFRDCOSQV-FRRDWIJNSA-N 0 3 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296.411 2.273 20 30 CEEDHN C#C[C@@H]([NH2+]Cc1c(C)cccc1[O-])C1CCOCC1 ZINC000877636872 650827718 /nfs/dbraw/zinc/82/77/18/650827718.db2.gz CPRJDCNHCUBMLK-OAHLLOKOSA-N 0 3 259.349 2.219 20 30 CEEDHN C#CCN(C(=O)N[C@H]1C[C@]1(C)C(C)C)C1CCN(C)CC1 ZINC000922850434 643295734 /nfs/dbraw/zinc/29/57/34/643295734.db2.gz OYUNXNDXTCHRNK-DOTOQJQBSA-N 0 3 291.439 2.160 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)NCc1ccc(C)c(F)c1 ZINC000852097085 643299633 /nfs/dbraw/zinc/29/96/33/643299633.db2.gz KYKRJQONCKNMOQ-MRXNPFEDSA-N 0 3 276.355 2.142 20 30 CEEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1 ZINC000852098422 643300505 /nfs/dbraw/zinc/30/05/05/643300505.db2.gz MOLKXZFRRIWSPU-BBRMVZONSA-N 0 3 258.365 2.083 20 30 CEEDHN C#C[C@@](C)(CC)NCC(=O)NC1CCC(C)CC1 ZINC000852098084 643301182 /nfs/dbraw/zinc/30/11/82/643301182.db2.gz FDMZUVTXKKHKCP-PIMMBPRGSA-N 0 3 250.386 2.073 20 30 CEEDHN C#C[C@@](C)(CC)NCC(=O)NCc1ccc(C)cc1 ZINC000852098826 643301532 /nfs/dbraw/zinc/30/15/32/643301532.db2.gz XGHXEUDTCGMQAE-INIZCTEOSA-N 0 3 258.365 2.003 20 30 CEEDHN C#C[C@@H](NCc1cnc(Cl)c(F)c1)C1CCOCC1 ZINC000877638281 650828711 /nfs/dbraw/zinc/82/87/11/650828711.db2.gz VUCISSZKMBFKRZ-CYBMUJFWSA-N 0 3 282.746 2.392 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)NCc1ccccc1C ZINC000852098937 643302381 /nfs/dbraw/zinc/30/23/81/643302381.db2.gz ZPUGLDQFLTWBIN-MRXNPFEDSA-N 0 3 258.365 2.003 20 30 CEEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1cccc(OC)c1 ZINC000852099917 643303768 /nfs/dbraw/zinc/30/37/68/643303768.db2.gz RMSWLXGGIPTPMT-GUYCJALGSA-N 0 3 288.391 2.091 20 30 CEEDHN C[C@@H]1CCN(Cc2cc(C#N)ccc2N(C)C)C[C@@H]1CO ZINC000877645977 650832161 /nfs/dbraw/zinc/83/21/61/650832161.db2.gz CLASTELMHUMPRI-CZUORRHYSA-N 0 3 287.407 2.075 20 30 CEEDHN C#CC1CCN(Cc2cnc3ccccc3n2)CC1 ZINC000852205706 643349863 /nfs/dbraw/zinc/34/98/63/643349863.db2.gz RSZASCONSNCSOQ-UHFFFAOYSA-N 0 3 251.333 2.475 20 30 CEEDHN C#CCN(CCO[C@H]1CCOC1)[C@H]1CCc2ccccc21 ZINC000929334488 643378538 /nfs/dbraw/zinc/37/85/38/643378538.db2.gz ORWSCSQEYYTNLZ-WMZOPIPTSA-N 0 3 285.387 2.415 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)C[C@@H]2C=CCC2)CC1 ZINC001005088087 643382368 /nfs/dbraw/zinc/38/23/68/643382368.db2.gz KPCVYIMDLPASSW-CQSZACIVSA-N 0 3 262.397 2.452 20 30 CEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(C)no2)CC1 ZINC001005101506 643386542 /nfs/dbraw/zinc/38/65/42/643386542.db2.gz XNWMTHUJSPOBBT-UHFFFAOYSA-N 0 3 277.368 2.096 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCCC[C@H]1CC=C ZINC000852357847 643406833 /nfs/dbraw/zinc/40/68/33/643406833.db2.gz IWCAUJSYPFTOCM-HZPDHXFCSA-N 0 3 291.439 2.376 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cc3occc3[nH]2)CC1 ZINC001005460777 643409219 /nfs/dbraw/zinc/40/92/19/643409219.db2.gz CWGQODWPFCDXOW-UHFFFAOYSA-N 0 3 287.363 2.483 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2ncc3ccccn32)CC1 ZINC001005709565 643432965 /nfs/dbraw/zinc/43/29/65/643432965.db2.gz ZLEMOJVHUQYSCT-UHFFFAOYSA-N 0 3 298.390 2.057 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001005855696 643497262 /nfs/dbraw/zinc/49/72/62/643497262.db2.gz DWHAGKPERGXNLX-WDNDVIMCSA-N 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275.352 2.274 20 30 CEEDHN Fc1cnccc1N=NC1CCCN2CCCC[C@H]12 ZINC000853403084 643764955 /nfs/dbraw/zinc/76/49/55/643764955.db2.gz QKBFVOOYXCWVDM-CQSZACIVSA-N 0 3 262.332 2.059 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCO[C@H](CC)C2)CC1 ZINC001006257805 643798000 /nfs/dbraw/zinc/79/80/00/643798000.db2.gz ILUBXLXFHFHJKG-GOEBONIOSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CC[C@H]1CCCN(CN2CCC(C)(C)C2=O)C1 ZINC000853536912 643805617 /nfs/dbraw/zinc/80/56/17/643805617.db2.gz KIBIKBSQXUVMHW-ZDUSSCGKSA-N 0 3 250.386 2.491 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)c2cccnc2)CC1 ZINC001006308037 643809462 /nfs/dbraw/zinc/80/94/62/643809462.db2.gz YNGDUVLUSXXNCY-AWEZNQCLSA-N 0 3 287.407 2.294 20 30 CEEDHN C#C[C@@H](CC)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000854074377 643978678 /nfs/dbraw/zinc/97/86/78/643978678.db2.gz OMVPCYZSJRRCBV-IRXDYDNUSA-N 0 3 299.418 2.314 20 30 CEEDHN N#CC(C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1nc2ccccc2[nH]1 ZINC000838783993 644021027 /nfs/dbraw/zinc/02/10/27/644021027.db2.gz MFDLGOCLBYKCES-IRCOFANPSA-N 0 3 293.326 2.354 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@]1(C)CC=C(C)CC1 ZINC000854664596 644123070 /nfs/dbraw/zinc/12/30/70/644123070.db2.gz YABXOLYJMJSRDN-MRXNPFEDSA-N 0 3 262.397 2.194 20 30 CEEDHN CS[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000103330080 644187103 /nfs/dbraw/zinc/18/71/03/644187103.db2.gz SHGXGRYEIKNSOJ-GXSJLCMTSA-N 0 3 262.334 2.085 20 30 CEEDHN CC(C)C#CC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000855032804 644236797 /nfs/dbraw/zinc/23/67/97/644236797.db2.gz VGIDWYKOVRRCCF-SFHVURJKSA-N 0 3 284.403 2.427 20 30 CEEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000855162957 644261816 /nfs/dbraw/zinc/26/18/16/644261816.db2.gz QHIGHBLBAXTVPP-GFCCVEGCSA-N 0 3 250.386 2.025 20 30 CEEDHN CCCCCCN(C)CC(=O)N([C@@H](C)C#N)C1CC1 ZINC000855583703 644398739 /nfs/dbraw/zinc/39/87/39/644398739.db2.gz HHWXFUQDUQXJBD-ZDUSSCGKSA-N 0 3 265.401 2.402 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(C)s1 ZINC000754671127 644412077 /nfs/dbraw/zinc/41/20/77/644412077.db2.gz ZCZQDMUBOGDBQG-MNOVXSKESA-N 0 3 295.408 2.107 20 30 CEEDHN C#CCCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000839685745 644773088 /nfs/dbraw/zinc/77/30/88/644773088.db2.gz XOYKACQGHRGWIU-UHFFFAOYSA-N 0 3 270.376 2.426 20 30 CEEDHN Cc1cccc(COCC(=O)C(C#N)c2ccncn2)c1 ZINC000857019074 644786303 /nfs/dbraw/zinc/78/63/03/644786303.db2.gz PYWHHUZURAFGPQ-AWEZNQCLSA-N 0 3 281.315 2.178 20 30 CEEDHN C#CCCN1CCc2nccc(Br)c2C1 ZINC000857915647 645009926 /nfs/dbraw/zinc/00/99/26/645009926.db2.gz ZBICOGODUJWXKO-UHFFFAOYSA-N 0 3 265.154 2.226 20 30 CEEDHN C#C[C@H](NC[C@@H](O)CCCCCC)[C@@H]1CCCO1 ZINC000759438682 645027062 /nfs/dbraw/zinc/02/70/62/645027062.db2.gz VBDUSLQGVNYYHN-KKUMJFAQSA-N 0 3 253.386 2.088 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858048098 645053149 /nfs/dbraw/zinc/05/31/49/645053149.db2.gz OXDOVDDXXIAJON-HOTGVXAUSA-N 0 3 288.391 2.349 20 30 CEEDHN CC[C@H](OC1CCCC1)C(=O)C(C#N)c1ccncn1 ZINC000760342972 645143311 /nfs/dbraw/zinc/14/33/11/645143311.db2.gz AQGYWEXQIULNIO-OCCSQVGLSA-N 0 3 273.336 2.391 20 30 CEEDHN C#CCCN1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000760818321 645197553 /nfs/dbraw/zinc/19/75/53/645197553.db2.gz AKBPPGKGNPIBPT-CQSZACIVSA-N 0 3 286.375 2.007 20 30 CEEDHN C=CC[C@@H](CO)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000761216866 645257652 /nfs/dbraw/zinc/25/76/52/645257652.db2.gz ZFPJCRCKMSVKTI-SNVBAGLBSA-N 0 3 285.771 2.328 20 30 CEEDHN N#CCc1cccc2c1CCN(c1ccnc(CO)c1)C2 ZINC000858845406 645268934 /nfs/dbraw/zinc/26/89/34/645268934.db2.gz JAYZMEBJKRIYOM-UHFFFAOYSA-N 0 3 279.343 2.203 20 30 CEEDHN C[C@H]1CC(N=Nc2nncc3ccccc32)CN1C ZINC000761792750 645316782 /nfs/dbraw/zinc/31/67/82/645316782.db2.gz GFYWISSZVLXYCX-JTQLQIEISA-N 0 3 255.325 2.122 20 30 CEEDHN C#CCCOC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000859097513 645361805 /nfs/dbraw/zinc/36/18/05/645361805.db2.gz NPEZRTAZZSRAKR-CQSZACIVSA-N 0 3 274.364 2.256 20 30 CEEDHN COCC#CCN1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000762927802 645481971 /nfs/dbraw/zinc/48/19/71/645481971.db2.gz 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GVTPOFVSCWHXDB-CQSZACIVSA-N 0 3 262.397 2.028 20 30 CEEDHN C=CC[C@@H](C(=O)OC)N1CCCC[C@@H](SC)C1 ZINC000878287222 651053287 /nfs/dbraw/zinc/05/32/87/651053287.db2.gz RQLQLECSTRYZTC-NEPJUHHUSA-N 0 3 257.399 2.322 20 30 CEEDHN CCCCCCCC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861710678 646253512 /nfs/dbraw/zinc/25/35/12/646253512.db2.gz QASOCGBUXVURKR-GJZGRUSLSA-N 0 3 282.428 2.014 20 30 CEEDHN CCCCCCCCC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861711067 646253535 /nfs/dbraw/zinc/25/35/35/646253535.db2.gz SCXPDTPLTLPQIU-JKSUJKDBSA-N 0 3 296.455 2.405 20 30 CEEDHN CO[C@@H]1CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000769447711 646267490 /nfs/dbraw/zinc/26/74/90/646267490.db2.gz WBNKINWERFGNEA-IUODEOHRSA-N 0 3 260.337 2.198 20 30 CEEDHN C#CCN(C)CCCNC(=O)CC1CCC(F)(F)CC1 ZINC000861837586 646277141 /nfs/dbraw/zinc/27/71/41/646277141.db2.gz FQDQTHUVDKUAAI-UHFFFAOYSA-N 0 3 286.366 2.273 20 30 CEEDHN C=C(C)[C@@H](CC(=O)OCCN1CCCCC1)OCC ZINC000770400868 646388420 /nfs/dbraw/zinc/38/84/20/646388420.db2.gz UPRAHLAUOKBUPE-CQSZACIVSA-N 0 3 269.385 2.387 20 30 CEEDHN C=CCN1CCC(NC(=O)C=C2CCSCC2)CC1 ZINC000771658278 646541753 /nfs/dbraw/zinc/54/17/53/646541753.db2.gz CSPMTYUASMUUOG-UHFFFAOYSA-N 0 3 280.437 2.206 20 30 CEEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2ccco2)cc1 ZINC000772640275 646653696 /nfs/dbraw/zinc/65/36/96/646653696.db2.gz KPTFRLLQFCGTSH-AWEZNQCLSA-N 0 3 298.298 2.178 20 30 CEEDHN C#CCCN1CCN(Cc2cc(C)cc(C)c2)CC1 ZINC000776595075 647077795 /nfs/dbraw/zinc/07/77/95/647077795.db2.gz BKAQTZGSUDFPPH-UHFFFAOYSA-N 0 3 256.393 2.444 20 30 CEEDHN CN(C)c1ccncc1C=NOCCC(F)(F)F ZINC000777455309 647136097 /nfs/dbraw/zinc/13/60/97/647136097.db2.gz FCBWOIOOTDFETQ-UHFFFAOYSA-N 0 3 261.247 2.451 20 30 CEEDHN C[C@@H](CNC(=O)c1cccc(F)c1C#N)N1CCCCC1 ZINC000778544895 647241214 /nfs/dbraw/zinc/24/12/14/647241214.db2.gz ZTFVPFMWXDLMFW-LBPRGKRZSA-N 0 3 289.354 2.302 20 30 CEEDHN C=CCC1(NCc2cn(C3CC3)cn2)CCOCC1 ZINC000865626362 647394237 /nfs/dbraw/zinc/39/42/37/647394237.db2.gz OFZQCUVAWQTYCQ-UHFFFAOYSA-N 0 3 261.369 2.433 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN[C@H]1COC2(CCC2)C1 ZINC000865625443 647394626 /nfs/dbraw/zinc/39/46/26/647394626.db2.gz MQCACJUPLKOOMU-OAHLLOKOSA-N 0 3 285.391 2.425 20 30 CEEDHN C#CC[C@H](CCOC)NCc1cnc(Cl)c(F)c1 ZINC000865646426 647404683 /nfs/dbraw/zinc/40/46/83/647404683.db2.gz PXSSVEJSOBVHIN-LLVKDONJSA-N 0 3 270.735 2.392 20 30 CEEDHN N#Cc1ccccc1N1CCC(NCc2cc[nH]n2)CC1 ZINC000865696453 647428608 /nfs/dbraw/zinc/42/86/08/647428608.db2.gz DOQRRCZOLIVNDC-UHFFFAOYSA-N 0 3 281.363 2.040 20 30 CEEDHN CN(C)CCN(C(=O)c1coc(C#N)c1)C1CCCCC1 ZINC000865709751 647433355 /nfs/dbraw/zinc/43/33/55/647433355.db2.gz RLKTVVUGBFBVTO-UHFFFAOYSA-N 0 3 289.379 2.488 20 30 CEEDHN CN1CCN(c2c(C#N)cccc2[N+](=O)[O-])CCC1(C)C ZINC000866112688 647615094 /nfs/dbraw/zinc/61/50/94/647615094.db2.gz JDABOIMMSGLMFW-UHFFFAOYSA-N 0 3 288.351 2.387 20 30 CEEDHN C[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cccc(C#N)c1[O-] ZINC000866285270 647717045 /nfs/dbraw/zinc/71/70/45/647717045.db2.gz LPQHTYDGDYQINX-ZWNOBZJWSA-N 0 3 282.347 2.195 20 30 CEEDHN COCC[C@H](C)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000866586629 647833445 /nfs/dbraw/zinc/83/34/45/647833445.db2.gz BUNXMOICLXFVRY-AWEZNQCLSA-N 0 3 273.380 2.105 20 30 CEEDHN C[C@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1cnccn1 ZINC000866615385 647842309 /nfs/dbraw/zinc/84/23/09/647842309.db2.gz PXTBNBVATQCVJD-XHDPSFHLSA-N 0 3 264.332 2.166 20 30 CEEDHN C[C@@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1nccn1C ZINC000866617671 647844356 /nfs/dbraw/zinc/84/43/56/647844356.db2.gz NHOHHAAAZZLMFW-ABAIWWIYSA-N 0 3 266.348 2.110 20 30 CEEDHN Cc1cc(N[C@H]2CCc3cc(C#N)ccc32)nc(N)n1 ZINC000784832374 647885476 /nfs/dbraw/zinc/88/54/76/647885476.db2.gz PEGWRMYTOOOALS-ZDUSSCGKSA-N 0 3 265.320 2.338 20 30 CEEDHN COC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000786311851 647999725 /nfs/dbraw/zinc/99/97/25/647999725.db2.gz MZVXHAKCRZJSEI-GFCCVEGCSA-N 0 3 274.320 2.149 20 30 CEEDHN C#CCCCOC(=O)CCN1CCc2ccccc2C1 ZINC000786819479 648048595 /nfs/dbraw/zinc/04/85/95/648048595.db2.gz 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261.369 2.245 20 30 CEEDHN C#C[C@H](CCC)NC(=O)CN(C)CCCCCC ZINC000791742824 648561681 /nfs/dbraw/zinc/56/16/81/648561681.db2.gz LUNPNFGPEVCGMZ-CQSZACIVSA-N 0 3 252.402 2.417 20 30 CEEDHN N#CC(C(=O)C[C@@H]1COC(=O)C1)c1nccc2ccccc21 ZINC000792105498 648608719 /nfs/dbraw/zinc/60/87/19/648608719.db2.gz MJNPDRWAUNODEN-SMDDNHRTSA-N 0 3 294.310 2.364 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(c2nnnn2C)CC1 ZINC000872095017 649271915 /nfs/dbraw/zinc/27/19/15/649271915.db2.gz QRSLQBJCCMWDKI-LBPRGKRZSA-N 0 3 296.378 2.022 20 30 CEEDHN C[C@H]1C(N=Nc2ncnc3sccc32)CCN1C ZINC000872338457 649359844 /nfs/dbraw/zinc/35/98/44/649359844.db2.gz QAVQGICMPDEJCX-QMMMGPOBSA-N 0 3 261.354 2.183 20 30 CEEDHN Cc1cccc([C@H](C)C(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000124085367 649391199 /nfs/dbraw/zinc/39/11/99/649391199.db2.gz YKKISXBXFORLTL-JSGCOSHPSA-N 0 3 272.348 2.332 20 30 CEEDHN C=C(Cl)CN(C)CC(C)(C)CN1CCOCC1 ZINC000124432154 649580515 /nfs/dbraw/zinc/58/05/15/649580515.db2.gz ZSVDXGZCOJVSAW-UHFFFAOYSA-N 0 3 260.809 2.029 20 30 CEEDHN C#C[C@H]1CC[C@H](NCc2cn(C)nc2Br)CC1 ZINC000873197942 649585963 /nfs/dbraw/zinc/58/59/63/649585963.db2.gz JHDMGXCGCKGOFD-UMSPYCQHSA-N 0 3 296.212 2.464 20 30 CEEDHN C=CCCN(C)Cc1cc(C(=O)OC)ccc1OC ZINC000878490684 651111911 /nfs/dbraw/zinc/11/19/11/651111911.db2.gz PQAXWQKSMCDDLX-UHFFFAOYSA-N 0 3 263.337 2.490 20 30 CEEDHN CN(Cc1ccc(C#N)o1)[C@@H](CO)Cc1ccccc1 ZINC000878884911 651203475 /nfs/dbraw/zinc/20/34/75/651203475.db2.gz OUPZVQAWYOWIEV-CQSZACIVSA-N 0 3 270.332 2.187 20 30 CEEDHN C#CCN(CCCCCn1cccn1)C1CSC1 ZINC000878913717 651208645 /nfs/dbraw/zinc/20/86/45/651208645.db2.gz DSSTXVDLVRZISV-UHFFFAOYSA-N 0 3 263.410 2.104 20 30 CEEDHN COC(=O)C[C@@](C)(NCC#Cc1ccccc1)C1CC1 ZINC000879441878 651304512 /nfs/dbraw/zinc/30/45/12/651304512.db2.gz IAWBXGIEZDKZNO-QGZVFWFLSA-N 0 3 271.360 2.360 20 30 CEEDHN C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647915 651334998 /nfs/dbraw/zinc/33/49/98/651334998.db2.gz QPGQRJAGPNKUIZ-CYBMUJFWSA-N 0 3 274.364 2.243 20 30 CEEDHN C[C@H](NCCOc1cccc(C#N)c1)c1ccnn1C ZINC000879684552 651339242 /nfs/dbraw/zinc/33/92/42/651339242.db2.gz JXBVMBOAKHBOFW-LBPRGKRZSA-N 0 3 270.336 2.021 20 30 CEEDHN C[C@]1(C2CCCCC2)CCN1CC(=O)NCCC#N ZINC000879788382 651351380 /nfs/dbraw/zinc/35/13/80/651351380.db2.gz YQIZXICPIBDLTI-OAHLLOKOSA-N 0 3 263.385 2.061 20 30 CEEDHN CC[C@@H](C)N1CCN(c2ccc(C)nc2C#N)CC1 ZINC000882427682 652066702 /nfs/dbraw/zinc/06/67/02/652066702.db2.gz AICHPYHBBRZXBB-CYBMUJFWSA-N 0 3 258.369 2.182 20 30 CEEDHN C=C(Br)CN[C@@](C)(CC)CC(=O)OC ZINC000130013811 652202824 /nfs/dbraw/zinc/20/28/24/652202824.db2.gz WZVHDUUNRRXMDW-JTQLQIEISA-N 0 3 264.163 2.216 20 30 CEEDHN C#CCCCCN[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000130768998 652330936 /nfs/dbraw/zinc/33/09/36/652330936.db2.gz XXMLDRDNQAAPMY-MRXNPFEDSA-N 0 3 270.376 2.399 20 30 CEEDHN C#CC[C@@H](CO)NCc1c(C)nc2scc(C3CC3)n12 ZINC000883124178 652369396 /nfs/dbraw/zinc/36/93/96/652369396.db2.gz ZJFCEIYINIQLDC-LBPRGKRZSA-N 0 3 289.404 2.055 20 30 CEEDHN C=CCC[C@@H](NCc1snnc1C)[C@H]1CCCO1 ZINC000883224809 652405572 /nfs/dbraw/zinc/40/55/72/652405572.db2.gz UBZUDBNEBYVTGC-VXGBXAGGSA-N 0 3 267.398 2.450 20 30 CEEDHN C#CC1(NCc2ccc(-n3cncn3)c(F)c2)CCCC1 ZINC000883362415 652443973 /nfs/dbraw/zinc/44/39/73/652443973.db2.gz CPCLSEMTSPEDDB-UHFFFAOYSA-N 0 3 284.338 2.442 20 30 CEEDHN C=C(C)C[C@H](CO)N[C@H](C)c1cc(C(=O)OC)co1 ZINC000883391341 652453172 /nfs/dbraw/zinc/45/31/72/652453172.db2.gz IKDGQQWDBOAVLF-ZYHUDNBSSA-N 0 3 267.325 2.044 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1ccc(-c2cc[nH]n2)o1 ZINC000883400414 652456480 /nfs/dbraw/zinc/45/64/80/652456480.db2.gz MCORZXAJCUMIGJ-NSHDSACASA-N 0 3 261.325 2.086 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)Cc2ccccc2F)CC1 ZINC001006363929 652586374 /nfs/dbraw/zinc/58/63/74/652586374.db2.gz MCGMWPKZIPDFIP-UHFFFAOYSA-N 0 3 290.382 2.477 20 30 CEEDHN Cc1ccc(C)c(NC(=O)C2CC3(C2)CNC[C@H]3C#N)c1 ZINC000884044122 652654074 /nfs/dbraw/zinc/65/40/74/652654074.db2.gz VKOSJWLNNVZTCC-XOYHFGRZSA-N 0 3 283.375 2.381 20 30 CEEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc3c(c1)CCC3)C2 ZINC000884049874 652662197 /nfs/dbraw/zinc/66/21/97/652662197.db2.gz IGBBKSKXSZNXRZ-SWKXRBFHSA-N 0 3 295.386 2.253 20 30 CEEDHN COc1ccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c(C)c1 ZINC000884071611 652695774 /nfs/dbraw/zinc/69/57/74/652695774.db2.gz ZZXMMDDBVXDKGE-JZLYGMAVSA-N 0 3 299.374 2.082 20 30 CEEDHN CC1(C)CCC(NC(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC000884140899 652725039 /nfs/dbraw/zinc/72/50/39/652725039.db2.gz IBSGJGRENMNDHA-UIORMTCPSA-N 0 3 289.423 2.211 20 30 CEEDHN CC1(C)CCCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884155057 652732193 /nfs/dbraw/zinc/73/21/93/652732193.db2.gz ULTXKOFDICGWMA-UUCFBXCCSA-N 0 3 289.423 2.164 20 30 CEEDHN C#CCN1CCC[C@@H](Nc2nc3ccccc3[nH]2)C1 ZINC000884613729 652944040 /nfs/dbraw/zinc/94/40/40/652944040.db2.gz URZVJXMDZCZLNE-GFCCVEGCSA-N 0 3 254.337 2.072 20 30 CEEDHN C=CCn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029338358 805683650 /nfs/dbraw/zinc/68/36/50/805683650.db2.gz ZWWZYEQHRMLQFJ-IYBDPMFKSA-N 0 3 299.418 2.373 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(CC)o2)[C@H]1CC ZINC001087627000 805764048 /nfs/dbraw/zinc/76/40/48/805764048.db2.gz FJZBMAKILQKRRL-LSDHHAIUSA-N 0 3 288.391 2.448 20 30 CEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)C2CCCCCC2)C1 ZINC001271133338 805775391 /nfs/dbraw/zinc/77/53/91/805775391.db2.gz YVBLIDLGUAPUHR-KRWDZBQOSA-N 0 3 294.439 2.086 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H]1CC ZINC001087737219 805782422 /nfs/dbraw/zinc/78/24/22/805782422.db2.gz KUBQBKAHAYIRRO-SWLSCSKDSA-N 0 3 288.395 2.056 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)[C@H]1CC ZINC001087758373 805787678 /nfs/dbraw/zinc/78/76/78/805787678.db2.gz QYRKQFQJDFTPRC-JONQDZQNSA-N 0 3 292.423 2.123 20 30 CEEDHN C#Cc1ccccc1CC(=O)N[C@H]1CCN(CC=C)[C@@H]1CC ZINC001087810882 805799116 /nfs/dbraw/zinc/79/91/16/805799116.db2.gz QPDUADVVQDGHTQ-ZWKOTPCHSA-N 0 3 296.414 2.366 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3sccc3C)C[C@@H]2C1 ZINC001087865637 805825764 /nfs/dbraw/zinc/82/57/64/805825764.db2.gz 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ZINC001027846209 804297846 /nfs/dbraw/zinc/29/78/46/804297846.db2.gz INTWGHVVVNHYKZ-GFCCVEGCSA-N 0 3 279.409 2.222 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc[nH]c1CC ZINC001027864070 804304636 /nfs/dbraw/zinc/30/46/36/804304636.db2.gz VMNIAMJLAJYTET-ZDUSSCGKSA-N 0 3 275.396 2.347 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001027862741 804306638 /nfs/dbraw/zinc/30/66/38/804306638.db2.gz VOWPMCZDEJZWRB-ZDUSSCGKSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001006768865 804387450 /nfs/dbraw/zinc/38/74/50/804387450.db2.gz XVMODMYPEFIERL-ZDUSSCGKSA-N 0 3 274.364 2.163 20 30 CEEDHN C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001006768865 804387460 /nfs/dbraw/zinc/38/74/60/804387460.db2.gz XVMODMYPEFIERL-ZDUSSCGKSA-N 0 3 274.364 2.163 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cncc(CC)c1 ZINC001028030019 804402999 /nfs/dbraw/zinc/40/29/99/804402999.db2.gz QDDNCJAHIZZMLD-INIZCTEOSA-N 0 3 287.407 2.414 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(F)ccc1C ZINC001028053315 804414611 /nfs/dbraw/zinc/41/46/11/804414611.db2.gz CYSRJMOPAFVJQD-OAHLLOKOSA-N 0 3 288.366 2.352 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1CC=C(C)C ZINC001028147374 804495303 /nfs/dbraw/zinc/49/53/03/804495303.db2.gz WDJHKOWWCTVMMF-XHSDSOJGSA-N 0 3 292.423 2.124 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](NCCF)C(C)C ZINC001268216886 804549234 /nfs/dbraw/zinc/54/92/34/804549234.db2.gz PBUYZLCYZPFUSH-OCCSQVGLSA-N 0 3 258.381 2.289 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)C1CCC(=C)CC1 ZINC001268246858 804571664 /nfs/dbraw/zinc/57/16/64/804571664.db2.gz FUXWMVAHVPNKCL-UHFFFAOYSA-N 0 3 250.386 2.309 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1cnc2ccccc2c1 ZINC001268249799 804572382 /nfs/dbraw/zinc/57/23/82/804572382.db2.gz DIQBUSAOZNPMCU-UHFFFAOYSA-N 0 3 283.375 2.425 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)[C@H](CCC)C(C)C ZINC001268254361 804576390 /nfs/dbraw/zinc/57/63/90/804576390.db2.gz YYQPFVLZOCVXTB-OAHLLOKOSA-N 0 3 266.429 2.472 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(F)cc1F ZINC001028294393 804698487 /nfs/dbraw/zinc/69/84/87/804698487.db2.gz AQADBRWAKYTMEG-CYBMUJFWSA-N 0 3 292.329 2.182 20 30 CEEDHN CCCCCCCN1C[C@@H](NC(=O)CC)[C@H](OC)C1 ZINC001211741117 804703894 /nfs/dbraw/zinc/70/38/94/804703894.db2.gz JBXFQEVGRIRDMD-ZIAGYGMSSA-N 0 3 270.417 2.182 20 30 CEEDHN CC#CCNCCN(CC)C(=O)C[C@@H]1CCCC1(F)F ZINC001268473527 804720071 /nfs/dbraw/zinc/72/00/71/804720071.db2.gz IIAPZEUPRKNRAC-ZDUSSCGKSA-N 0 3 286.366 2.273 20 30 CEEDHN C#CCNCCN(CC)C(=O)Cc1ccc2c(c1)CCCC2 ZINC001268497196 804767566 /nfs/dbraw/zinc/76/75/66/804767566.db2.gz HAXQKZADBCBPTD-UHFFFAOYSA-N 0 3 298.430 2.179 20 30 CEEDHN C[C@H](C#N)C(=O)NC/C=C/CNCc1ccc(Cl)s1 ZINC001268518204 804799867 /nfs/dbraw/zinc/79/98/67/804799867.db2.gz GHKNDJVEORIIII-VMZHVLLKSA-N 0 3 297.811 2.323 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)C2=CCCCCC2)C1 ZINC001028499610 804808869 /nfs/dbraw/zinc/80/88/69/804808869.db2.gz JBEOYRZCBKUYDN-OAHLLOKOSA-N 0 3 274.408 2.338 20 30 CEEDHN N#CCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000426430487 804823817 /nfs/dbraw/zinc/82/38/17/804823817.db2.gz AAWYXAIHXJYRMN-HNNXBMFYSA-N 0 3 286.379 2.036 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001028552818 804836925 /nfs/dbraw/zinc/83/69/25/804836925.db2.gz SXXZYQPDWLHVSG-WCXIOVBPSA-N 0 3 286.419 2.050 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cccc(F)c2C)C1 ZINC001028558401 804837335 /nfs/dbraw/zinc/83/73/35/804837335.db2.gz NDECSFNQQBQJCJ-AWEZNQCLSA-N 0 3 288.366 2.209 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2cccc(Cl)c2C)C1 ZINC001028556685 804837660 /nfs/dbraw/zinc/83/76/60/804837660.db2.gz GEXXAKCDILPGNT-CYBMUJFWSA-N 0 3 290.794 2.333 20 30 CEEDHN CC#CCNC/C=C/CNC(=O)CCCC(C)C ZINC001268593723 804866229 /nfs/dbraw/zinc/86/62/29/804866229.db2.gz DDSAMHUZUMWQIW-VOTSOKGWSA-N 0 3 250.386 2.098 20 30 CEEDHN C#CCNC/C=C\CNC(=O)c1cc2cc(C)ccc2o1 ZINC001268630920 804897109 /nfs/dbraw/zinc/89/71/09/804897109.db2.gz SMVVGYLKXDRWFF-PLNGDYQASA-N 0 3 282.343 2.250 20 30 CEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CNCc1cncs1 ZINC001268687748 804928508 /nfs/dbraw/zinc/92/85/08/804928508.db2.gz DZMWSUOCDGRTCA-NSHDSACASA-N 0 3 281.425 2.340 20 30 CEEDHN C=CCN(C)C[C@H](C)NC(=O)C[C@@H](C)n1cccc1 ZINC001268753145 804959440 /nfs/dbraw/zinc/95/94/40/804959440.db2.gz RRZWDMFDDQPZNJ-UONOGXRCSA-N 0 3 263.385 2.062 20 30 CEEDHN C=CCC[NH2+]C[C@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC001269043333 805032388 /nfs/dbraw/zinc/03/23/88/805032388.db2.gz IAQXQQFBSXVXCP-AWEZNQCLSA-N 0 3 274.364 2.066 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2CCN(C[C@H](C)O)C2)CCCCC1 ZINC001269092354 805044488 /nfs/dbraw/zinc/04/44/88/805044488.db2.gz ZFMMHNYERVNNNV-GJZGRUSLSA-N 0 3 294.439 2.084 20 30 CEEDHN C=CCCCN1CC[C@@H]1CNC(=O)CCC(F)(F)F ZINC001269213787 805086014 /nfs/dbraw/zinc/08/60/14/805086014.db2.gz DXOLGOQHPZAJSI-LLVKDONJSA-N 0 3 278.318 2.486 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)CC(C)(C)C=C ZINC001269240091 805098275 /nfs/dbraw/zinc/09/82/75/805098275.db2.gz GYGGKPKBWKUBEC-ZDUSSCGKSA-N 0 3 250.386 2.355 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2c(C)cc(C)nc2C)C1 ZINC001028701111 805132619 /nfs/dbraw/zinc/13/26/19/805132619.db2.gz BCLQSXARXDELJV-MRXNPFEDSA-N 0 3 299.418 2.082 20 30 CEEDHN CC#CCNC1(CNC(=O)c2cc(F)ccc2CC)CC1 ZINC001269442253 805164566 /nfs/dbraw/zinc/16/45/66/805164566.db2.gz CPWZZMCUCNRSHC-UHFFFAOYSA-N 0 3 288.366 2.263 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2c(C)cc(F)cc2C)C1 ZINC001028732835 805186004 /nfs/dbraw/zinc/18/60/04/805186004.db2.gz OVVNTYGYQNASJW-CQSZACIVSA-N 0 3 288.366 2.127 20 30 CEEDHN CC#CCNC1(CNC(=O)c2cc3ccccc3o2)CC1 ZINC001269530319 805191212 /nfs/dbraw/zinc/19/12/12/805191212.db2.gz FYJGBVCTFUZNMZ-UHFFFAOYSA-N 0 3 282.343 2.308 20 30 CEEDHN C#CCCCC(=O)N1CCCC[C@H]1[C@H]1CCN(CC#C)C1 ZINC001269558267 805200489 /nfs/dbraw/zinc/20/04/89/805200489.db2.gz XLTXXPPRGHMVDU-IRXDYDNUSA-N 0 3 286.419 2.126 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccsc2C(F)F)C1 ZINC001028959092 805385071 /nfs/dbraw/zinc/38/50/71/805385071.db2.gz OOGCMZKLVHYNEZ-JTQLQIEISA-N 0 3 298.358 2.371 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccoc2C(C)C)C1 ZINC001029012479 805432136 /nfs/dbraw/zinc/43/21/36/805432136.db2.gz MBFADZXIJBGKCL-ZDUSSCGKSA-N 0 3 274.364 2.088 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001270631243 805501120 /nfs/dbraw/zinc/50/11/20/805501120.db2.gz BBOSDCMGEALETL-DOTOQJQBSA-N 0 3 288.366 2.301 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)C[C@@H](C)C2CC2)C1 ZINC001270666678 805514854 /nfs/dbraw/zinc/51/48/54/805514854.db2.gz YTVQJANDRGYLMZ-DOMZBBRYSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCOc1cccc(CN2C[C@@H]3C[C@H]2CN3C)c1 ZINC001231624817 807179181 /nfs/dbraw/zinc/17/91/81/807179181.db2.gz XGOSUIOQAOKCQN-GJZGRUSLSA-N 0 3 258.365 2.140 20 30 CEEDHN C[C@@H]1CC(N=Nc2ccnc3cccnc23)CN1C1CC1 ZINC001119363635 815099502 /nfs/dbraw/zinc/09/95/02/815099502.db2.gz RBWCFQKCUBVTKG-LLVKDONJSA-N 0 3 281.363 2.076 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCCCC1CC1 ZINC000716410789 815122628 /nfs/dbraw/zinc/12/26/28/815122628.db2.gz XORUDJCOZOHQCK-ZDUSSCGKSA-N 0 3 251.374 2.094 20 30 CEEDHN C#CC[C@H](COC)NC[C@H](O)c1ccccc1Cl ZINC000716838205 815152774 /nfs/dbraw/zinc/15/27/74/815152774.db2.gz JPCRQVBJHWNGJT-RISCZKNCSA-N 0 3 267.756 2.001 20 30 CEEDHN CC#CCNCCNC(=O)c1coc2ccc(CC)cc12 ZINC001127416889 807912944 /nfs/dbraw/zinc/91/29/44/807912944.db2.gz WKYACEAPHVUSDX-UHFFFAOYSA-N 0 3 284.359 2.338 20 30 CEEDHN C#Cc1ccc(NC(=O)CCN[C@H](C)c2cnn(C)c2)cc1 ZINC001119814042 815161703 /nfs/dbraw/zinc/16/17/03/815161703.db2.gz NGLNKMYWAMOXLH-CYBMUJFWSA-N 0 3 296.374 2.081 20 30 CEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC001089617515 808075892 /nfs/dbraw/zinc/07/58/92/808075892.db2.gz AJGFKHVTBYDKLD-LSDHHAIUSA-N 0 3 294.439 2.206 20 30 CEEDHN C#CCCN1CC(CNC(=O)c2ccc(CCC)cc2)C1 ZINC001031936689 808207985 /nfs/dbraw/zinc/20/79/85/808207985.db2.gz HIOXJRRDOIEGJT-UHFFFAOYSA-N 0 3 284.403 2.324 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2sc(CC)nc2C)C1 ZINC001032049295 808263197 /nfs/dbraw/zinc/26/31/97/808263197.db2.gz ADAQJRQORQSTTD-UHFFFAOYSA-N 0 3 293.436 2.252 20 30 CEEDHN C#CCCN1CC(CNC(=O)C23CCC(CC2)CC3)C1 ZINC001032200023 808327435 /nfs/dbraw/zinc/32/74/35/808327435.db2.gz GWIJLKCZBMZXIJ-UHFFFAOYSA-N 0 3 274.408 2.028 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c(C)cncc1C ZINC001038521931 808666356 /nfs/dbraw/zinc/66/63/56/808666356.db2.gz ZOEOIXNHNYNMEJ-HNNXBMFYSA-N 0 3 287.407 2.469 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001032579472 808711407 /nfs/dbraw/zinc/71/14/07/808711407.db2.gz ARHAHCXQFAXNNT-OTJKEOIZSA-N 0 3 274.408 2.284 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(C)c1 ZINC001032599993 808724089 /nfs/dbraw/zinc/72/40/89/808724089.db2.gz UDOBXDLWGDBTLA-IRXDYDNUSA-N 0 3 284.403 2.399 20 30 CEEDHN C#C[C@H](C)NC[C@H](O)COc1ccccc1C(F)(F)F ZINC001120583136 815241271 /nfs/dbraw/zinc/24/12/71/815241271.db2.gz MRPSDDGCKAWHDF-QWRGUYRKSA-N 0 3 287.281 2.056 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COc2ccccc21 ZINC001032815894 808947221 /nfs/dbraw/zinc/94/72/21/808947221.db2.gz SNGGTPJIOIXAJJ-OFQRWUPVSA-N 0 3 298.386 2.024 20 30 CEEDHN C#CCN1CC[C@@]2(CCCN2Cc2ccc(CC)cc2)C1=O ZINC001272971109 809030156 /nfs/dbraw/zinc/03/01/56/809030156.db2.gz FKLFGDIUGKIEOE-IBGZPJMESA-N 0 3 296.414 2.449 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccccc2C)C1 ZINC001032876063 809103411 /nfs/dbraw/zinc/10/34/11/809103411.db2.gz HHDSOEJHEOARKG-OAHLLOKOSA-N 0 3 270.376 2.165 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@@H]2CCCCO2)C1 ZINC001032991860 809141616 /nfs/dbraw/zinc/14/16/16/809141616.db2.gz HVAMKSYLYCMAQX-CABCVRRESA-N 0 3 280.412 2.054 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)C2=CCCCCC2)C1 ZINC001033032099 809152456 /nfs/dbraw/zinc/15/24/56/809152456.db2.gz FYCUVKOEVIOQCZ-INIZCTEOSA-N 0 3 274.408 2.433 20 30 CEEDHN C=C(C)CCN1CC[C@@H](N(C)C(=O)c2ccns2)C1 ZINC001033131467 809194917 /nfs/dbraw/zinc/19/49/17/809194917.db2.gz SCTZPFLCSYLBOR-GFCCVEGCSA-N 0 3 279.409 2.256 20 30 CEEDHN CC[C@H](C)c1ccccc1OCC(=O)C(C#N)C(=O)NC ZINC000133466936 809251311 /nfs/dbraw/zinc/25/13/11/809251311.db2.gz JMNDFWABRJGOLM-WCQYABFASA-N 0 3 288.347 2.034 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2coc(C(F)F)c2)C1 ZINC001033369063 809284633 /nfs/dbraw/zinc/28/46/33/809284633.db2.gz QYHNOJMVPPARBF-LBPRGKRZSA-N 0 3 296.317 2.387 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccccc2CC)C1 ZINC001033375146 809285568 /nfs/dbraw/zinc/28/55/68/809285568.db2.gz IYOJBAXTAHJVDL-INIZCTEOSA-N 0 3 284.403 2.419 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001033696864 809383433 /nfs/dbraw/zinc/38/34/33/809383433.db2.gz ZATFCIORBIBBJH-PHPOFCCKSA-N 0 3 288.435 2.387 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccccc2F)C1 ZINC001033731709 809398054 /nfs/dbraw/zinc/39/80/54/809398054.db2.gz DGFPHGPOBDZCPK-CQSZACIVSA-N 0 3 288.366 2.385 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccsc2)C1 ZINC001033753825 809406501 /nfs/dbraw/zinc/40/65/01/809406501.db2.gz ZAIAXSMUTPURDC-CQSZACIVSA-N 0 3 276.405 2.308 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccoc2Cl)C1 ZINC001033808992 809423193 /nfs/dbraw/zinc/42/31/93/809423193.db2.gz HPBSALMCIVJTOZ-GFCCVEGCSA-N 0 3 294.782 2.493 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2[nH]ccc2C)C1 ZINC001033820665 809428466 /nfs/dbraw/zinc/42/84/66/809428466.db2.gz MMIPBLIPYGFYEK-AWEZNQCLSA-N 0 3 275.396 2.436 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2OCC[C@H]2C(C)C)CC1 ZINC001005396541 809434562 /nfs/dbraw/zinc/43/45/62/809434562.db2.gz SZMSHUSAHDVHOW-HOTGVXAUSA-N 0 3 294.439 2.156 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)CC2=CCCCC2)[C@@H](O)C1 ZINC001090149549 809445949 /nfs/dbraw/zinc/44/59/49/809445949.db2.gz MIKPYKOJRJWRDG-CVEARBPZSA-N 0 3 292.423 2.004 20 30 CEEDHN CCC(=O)N[C@H]1CCCCN(Cc2ccc(C#N)cc2)C1 ZINC001034058043 809489498 /nfs/dbraw/zinc/48/94/98/809489498.db2.gz DGJXCHHCTKPBCQ-INIZCTEOSA-N 0 3 285.391 2.439 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2CCC2)C1 ZINC001034067732 809498159 /nfs/dbraw/zinc/49/81/59/809498159.db2.gz BVHJMASKADDACE-CQSZACIVSA-N 0 3 250.386 2.333 20 30 CEEDHN C#C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)C(C)(C)C ZINC000702255849 809523819 /nfs/dbraw/zinc/52/38/19/809523819.db2.gz KDJCMDMPONLYAQ-CRWXNKLISA-N 0 3 264.413 2.412 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001034214940 809552943 /nfs/dbraw/zinc/55/29/43/809552943.db2.gz RSZWWIHWPAOPIV-IXDOHACOSA-N 0 3 299.418 2.342 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001034307123 809575686 /nfs/dbraw/zinc/57/56/86/809575686.db2.gz SKWZFROFCIWWDE-GJZGRUSLSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001034343954 809585615 /nfs/dbraw/zinc/58/56/15/809585615.db2.gz ZUGKIBAFMABMMO-HZSPNIEDSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C1CCC(C(=O)N[C@H]2CCCCN(CCOC)C2)CC1 ZINC001034383050 809593836 /nfs/dbraw/zinc/59/38/36/809593836.db2.gz VOHKSFMKLZKHJS-INIZCTEOSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2cccnc2C)C1 ZINC001034393317 809598538 /nfs/dbraw/zinc/59/85/38/809598538.db2.gz CUAPZFVUFKTIGA-INIZCTEOSA-N 0 3 287.407 2.089 20 30 CEEDHN CCC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC001034837061 809704946 /nfs/dbraw/zinc/70/49/46/809704946.db2.gz SAGDFPYYSZJQHR-CQSZACIVSA-N 0 3 289.354 2.188 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCCCO1)CC2 ZINC001035689149 809803208 /nfs/dbraw/zinc/80/32/08/809803208.db2.gz XWEATXMWJWMCFM-OAHLLOKOSA-N 0 3 292.423 2.056 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1[nH]c(C)cc1C)CC2 ZINC001035732452 809808569 /nfs/dbraw/zinc/80/85/69/809808569.db2.gz CXIFHOXKORUFRJ-UHFFFAOYSA-N 0 3 299.418 2.193 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)C(C)(C)CC)CC2 ZINC001035778736 809818215 /nfs/dbraw/zinc/81/82/15/809818215.db2.gz HFXWMDCZQKADDO-UHFFFAOYSA-N 0 3 276.424 2.370 20 30 CEEDHN C[C@]1(C(F)(F)F)CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000709554503 809964584 /nfs/dbraw/zinc/96/45/84/809964584.db2.gz OMJTXEVZRDACGB-JQWIXIFHSA-N 0 3 291.317 2.199 20 30 CEEDHN CC(=O)N1CC[C@@H]2[C@H](CCN2Cc2ccc(C#N)s2)C1 ZINC001036611056 809966293 /nfs/dbraw/zinc/96/62/93/809966293.db2.gz YBWQNQXPSDLUHZ-IUODEOHRSA-N 0 3 289.404 2.062 20 30 CEEDHN N#Cc1ccc(F)c(CN2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000711558893 810082754 /nfs/dbraw/zinc/08/27/54/810082754.db2.gz JWYCZMLFMVHQBQ-BETUJISGSA-N 0 3 262.353 2.492 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001079906073 810236547 /nfs/dbraw/zinc/23/65/47/810236547.db2.gz WXKLCBCCSDRHJR-IUODEOHRSA-N 0 3 298.390 2.189 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001015082345 810259578 /nfs/dbraw/zinc/25/95/78/810259578.db2.gz BRHRNRVSXSXUSB-CYBMUJFWSA-N 0 3 298.390 2.252 20 30 CEEDHN N#Cc1ccc(CNCCCNC(=O)CCCF)c(F)c1 ZINC001164063680 810276727 /nfs/dbraw/zinc/27/67/27/810276727.db2.gz HIUWMDMAEMLMNF-UHFFFAOYSA-N 0 3 295.333 2.043 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001015305671 810277912 /nfs/dbraw/zinc/27/79/12/810277912.db2.gz IFGUXPWBKJLSEQ-HNNXBMFYSA-N 0 3 274.408 2.171 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001080480885 810285480 /nfs/dbraw/zinc/28/54/80/810285480.db2.gz HUDLSGBQZDFDGN-KBUPBQIOSA-N 0 3 288.391 2.396 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2cccc(F)c2F)C1 ZINC001080519271 810289492 /nfs/dbraw/zinc/28/94/92/810289492.db2.gz FVPWCVHHECUNST-BXUZGUMPSA-N 0 3 294.345 2.130 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001080504611 810289973 /nfs/dbraw/zinc/28/99/73/810289973.db2.gz OFDACVSKVBVFDV-CZUORRHYSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC001080767530 810306714 /nfs/dbraw/zinc/30/67/14/810306714.db2.gz JCALFHOUXQWWHQ-ZIAGYGMSSA-N 0 3 288.391 2.224 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001080826343 810313190 /nfs/dbraw/zinc/31/31/90/810313190.db2.gz DHAHDOOMEQYTEX-IUODEOHRSA-N 0 3 290.794 2.413 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc3cnccc32)C1 ZINC001080939865 810318169 /nfs/dbraw/zinc/31/81/69/810318169.db2.gz NECGFCXEKLDJID-CXAGYDPISA-N 0 3 295.386 2.471 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(C)nsc2C)C1 ZINC001081010141 810322093 /nfs/dbraw/zinc/32/20/93/810322093.db2.gz LUNVJIYRQZAKKN-ZWNOBZJWSA-N 0 3 293.436 2.386 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001015649398 810323757 /nfs/dbraw/zinc/32/37/57/810323757.db2.gz UPNNPTZAYQLXFA-AWEZNQCLSA-N 0 3 290.794 2.476 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)C=C(C)C)C[C@H]1c1ccccc1 ZINC001081082026 810330373 /nfs/dbraw/zinc/33/03/73/810330373.db2.gz ZFSMKSDQMRGSPA-DLBZAZTESA-N 0 3 282.387 2.170 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(C[C@H]3CCCCO3)C2)C1 ZINC001015676713 810331417 /nfs/dbraw/zinc/33/14/17/810331417.db2.gz OICIFOVTVLYNQZ-HUUCEWRRSA-N 0 3 292.423 2.102 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@@H](C(N)=O)c1ccccc1 ZINC001172304134 815363764 /nfs/dbraw/zinc/36/37/64/815363764.db2.gz HPHROXXKUNDIML-SUMWQHHRSA-N 0 3 293.370 2.305 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)C[C@@H]2CC=CCC2)[C@H](OC)C1 ZINC001082029511 810363171 /nfs/dbraw/zinc/36/31/71/810363171.db2.gz UJLBRWQBXZWVQJ-BZUAXINKSA-N 0 3 292.423 2.124 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001015901790 810369393 /nfs/dbraw/zinc/36/93/93/810369393.db2.gz AOACKOLJWYBWAD-HNNXBMFYSA-N 0 3 296.370 2.189 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)c2csc(C)c2)[C@H](OC)C1 ZINC001082240098 810371418 /nfs/dbraw/zinc/37/14/18/810371418.db2.gz LTLOORHIQIZYJJ-ZIAGYGMSSA-N 0 3 294.420 2.062 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001015951745 810377280 /nfs/dbraw/zinc/37/72/80/810377280.db2.gz SASDKHMJXNNDAI-UONOGXRCSA-N 0 3 262.397 2.333 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001016036904 810389793 /nfs/dbraw/zinc/38/97/93/810389793.db2.gz JUTNWBVBLVHCLO-GDBMZVCRSA-N 0 3 270.376 2.004 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cc(C)ccc2F)C1 ZINC001016043195 810390310 /nfs/dbraw/zinc/39/03/10/810390310.db2.gz XVZDBBOAUPBTOE-HNNXBMFYSA-N 0 3 290.382 2.443 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC001016092845 810399167 /nfs/dbraw/zinc/39/91/67/810399167.db2.gz MEYOUULUWRBMIP-OAHLLOKOSA-N 0 3 287.407 2.133 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 ZINC001121934123 815368384 /nfs/dbraw/zinc/36/83/84/815368384.db2.gz CHELXZOVMWOUCB-CQSZACIVSA-N 0 3 299.378 2.402 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc3cnccc32)C1 ZINC001016260822 810417338 /nfs/dbraw/zinc/41/73/38/810417338.db2.gz IDGCFSWQQCADNK-HNNXBMFYSA-N 0 3 293.370 2.062 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)n1ncc2c1CCNC2 ZINC001172316352 815368737 /nfs/dbraw/zinc/36/87/37/815368737.db2.gz RXKOFEKRZXTGDW-GFCCVEGCSA-N 0 3 266.348 2.204 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001016380088 810431412 /nfs/dbraw/zinc/43/14/12/810431412.db2.gz AXBFEOZWBCRRPB-OAHLLOKOSA-N 0 3 282.387 2.003 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)CC3CCCC3)[C@@H]2C1 ZINC001084162963 810441772 /nfs/dbraw/zinc/44/17/72/810441772.db2.gz BHIXUNRXBVWNFN-HZPDHXFCSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(F)cc2)CC1 ZINC001016471505 810442098 /nfs/dbraw/zinc/44/20/98/810442098.db2.gz RETKHOCTMUPGLM-HNNXBMFYSA-N 0 3 286.350 2.043 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCc3ccco3)[C@@H]2C1 ZINC001084182939 810442744 /nfs/dbraw/zinc/44/27/44/810442744.db2.gz OCRVXDYHGFYFSS-GDBMZVCRSA-N 0 3 288.391 2.321 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ccoc2C)CC1 ZINC001016499654 810445375 /nfs/dbraw/zinc/44/53/75/810445375.db2.gz QRZHGARSCZSNOA-OAHLLOKOSA-N 0 3 286.375 2.196 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2oc(C)cc2C)CC1 ZINC001016557294 810452181 /nfs/dbraw/zinc/45/21/81/810452181.db2.gz QQBOWEFJDIFSTB-AWEZNQCLSA-N 0 3 286.375 2.114 20 30 CEEDHN Cc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001084232283 810453745 /nfs/dbraw/zinc/45/37/45/810453745.db2.gz ZNBAXISLWATCMR-DJIMGWMZSA-N 0 3 297.402 2.187 20 30 CEEDHN CCCCCCCC[C@@H](N)C(=O)NCc1c[nH]cn1 ZINC001121953050 815370703 /nfs/dbraw/zinc/37/07/03/815370703.db2.gz QIBZXMZXVGZPPU-CYBMUJFWSA-N 0 3 266.389 2.104 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)N(C)Cc1cnccn1 ZINC001172319088 815370951 /nfs/dbraw/zinc/37/09/51/815370951.db2.gz KTZCRYGHXNPXNY-CYBMUJFWSA-N 0 3 266.348 2.411 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)Cc3ccc(C)cc3)[C@@H]2C1 ZINC001084496046 810474933 /nfs/dbraw/zinc/47/49/33/810474933.db2.gz RVOQNVJQDSZUGY-QZTJIDSGSA-N 0 3 296.414 2.094 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)[C@@H](F)C(C)C)[C@@H]2C1 ZINC001084587275 810482414 /nfs/dbraw/zinc/48/24/14/810482414.db2.gz VBBGPFSYJUJTSO-MCIONIFRSA-N 0 3 268.376 2.089 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC1 ZINC001017576146 810534742 /nfs/dbraw/zinc/53/47/42/810534742.db2.gz MPVDIZXIUAKGDT-OKILXGFUSA-N 0 3 262.397 2.428 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H](C)CO1 ZINC001017751157 810548803 /nfs/dbraw/zinc/54/88/03/810548803.db2.gz CBHXNCLXSBXQAX-LVQVYYBASA-N 0 3 292.423 2.053 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC3(F)F)C[C@@H]21 ZINC001084967857 810553658 /nfs/dbraw/zinc/55/36/58/810553658.db2.gz ANWMWTROAZHNED-AGIUHOORSA-N 0 3 284.350 2.141 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@]3(C)C=CCC3)C[C@@H]21 ZINC001085009873 810564607 /nfs/dbraw/zinc/56/46/07/810564607.db2.gz FCWDKSYYAYGMNU-VYDXJSESSA-N 0 3 274.408 2.452 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H](C)C(C)(F)F)C[C@@H]21 ZINC001085035019 810570267 /nfs/dbraw/zinc/57/02/67/810570267.db2.gz BWEAXVKEKSWHFJ-MJBXVCDLSA-N 0 3 298.377 2.224 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001122088501 815383996 /nfs/dbraw/zinc/38/39/96/815383996.db2.gz XBHZRPUYOJMQEV-CYBMUJFWSA-N 0 3 286.375 2.207 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cn(CCF)cn1 ZINC001172300079 815389276 /nfs/dbraw/zinc/38/92/76/815389276.db2.gz QOYAZFNVSDPZJG-ZDUSSCGKSA-N 0 3 286.354 2.445 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC001019358733 810703555 /nfs/dbraw/zinc/70/35/55/810703555.db2.gz OLHQVRMNZWOSFE-BBRMVZONSA-N 0 3 288.366 2.143 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC[C@H](NCc3cncc(C)c3)C2)C1 ZINC001019353310 810703755 /nfs/dbraw/zinc/70/37/55/810703755.db2.gz CKLKYDAHIJPVFL-INIZCTEOSA-N 0 3 299.418 2.437 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)/C=C\Cl ZINC001122179823 815390737 /nfs/dbraw/zinc/39/07/37/815390737.db2.gz GXXYFEHGQLDGMH-LGYSABEFSA-N 0 3 251.157 2.104 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001019691152 810729502 /nfs/dbraw/zinc/72/95/02/810729502.db2.gz PCUJRFRZSNDRBC-SJORKVTESA-N 0 3 296.414 2.320 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001019695792 810730774 /nfs/dbraw/zinc/73/07/74/810730774.db2.gz MXCSDNIUALZDGU-NSHDSACASA-N 0 3 297.185 2.431 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC001019705118 810732563 /nfs/dbraw/zinc/73/25/63/810732563.db2.gz BCPGPZJOHQTCOS-QAPCUYQASA-N 0 3 296.414 2.005 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc3c(s2)CCCC3)C1 ZINC001019736895 810735453 /nfs/dbraw/zinc/73/54/53/810735453.db2.gz MTAMRPHHFIDAQM-ZDUSSCGKSA-N 0 3 288.416 2.064 20 30 CEEDHN C=CCn1cccc1C(=O)NC[C@@H]1CCN1CCCC ZINC001038343858 810825778 /nfs/dbraw/zinc/82/57/78/810825778.db2.gz CANUGGNMQDLHAR-AWEZNQCLSA-N 0 3 275.396 2.278 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cnn2ccc(C)cc12 ZINC001038371399 810830039 /nfs/dbraw/zinc/83/00/39/810830039.db2.gz LJXDEUMMJBEBMS-CQSZACIVSA-N 0 3 298.390 2.023 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccnn1CC ZINC001085562992 810830055 /nfs/dbraw/zinc/83/00/55/810830055.db2.gz BRAGYGDHOUFGHM-AWEZNQCLSA-N 0 3 290.411 2.016 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cccc2nccn21 ZINC001038508471 810852152 /nfs/dbraw/zinc/85/21/52/810852152.db2.gz OATFCUMFQMUBCI-CQSZACIVSA-N 0 3 298.390 2.105 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1onc(C)c1C ZINC001085660778 810868417 /nfs/dbraw/zinc/86/84/17/810868417.db2.gz ICYNLOLWAVQKNR-AWEZNQCLSA-N 0 3 291.395 2.404 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc2c[nH]ccc-2n1 ZINC001085672536 810872174 /nfs/dbraw/zinc/87/21/74/810872174.db2.gz AEANKRJAXWVVCA-AWEZNQCLSA-N 0 3 298.390 2.285 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCC(C)(C)C1CCOCC1 ZINC001122354949 815404055 /nfs/dbraw/zinc/40/40/55/815404055.db2.gz QKTQCAYNJVWXAP-AWEZNQCLSA-N 0 3 282.428 2.239 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001038645684 810877739 /nfs/dbraw/zinc/87/77/39/810877739.db2.gz NCYWSPFUSULADT-GDBMZVCRSA-N 0 3 288.366 2.232 20 30 CEEDHN C=CCN1CC[C@@H]1CN(C)C(=O)c1[nH]nc2ccc(C)cc21 ZINC001085694797 810878277 /nfs/dbraw/zinc/87/82/77/810878277.db2.gz QCQIPJBDHXXAIG-CYBMUJFWSA-N 0 3 298.390 2.204 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccn2nccc12 ZINC001085696179 810879202 /nfs/dbraw/zinc/87/92/02/810879202.db2.gz CFMUMBVPIAHMNG-AWEZNQCLSA-N 0 3 298.390 2.057 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1cncs1 ZINC001122378201 815407170 /nfs/dbraw/zinc/40/71/70/815407170.db2.gz XXIYEDPBEMTCSM-ZJUUUORDSA-N 0 3 253.371 2.004 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CC(F)(F)CC[C@H]1C ZINC001122381703 815407325 /nfs/dbraw/zinc/40/73/25/815407325.db2.gz WPHUFTHVGTZYHH-MNOVXSKESA-N 0 3 260.328 2.316 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001085869883 810949942 /nfs/dbraw/zinc/94/99/42/810949942.db2.gz DYSSAGVBOWFDQR-PMPSAXMXSA-N 0 3 292.423 2.076 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccc(OC)c1 ZINC001038957960 810958133 /nfs/dbraw/zinc/95/81/33/810958133.db2.gz XCUMQBDSHBBRFI-AWEZNQCLSA-N 0 3 274.364 2.075 20 30 CEEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)C2CC2)C1 ZINC001039178480 810993536 /nfs/dbraw/zinc/99/35/36/810993536.db2.gz QUWJVVOJWLNNCM-JKSUJKDBSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)n1 ZINC001039334048 811011405 /nfs/dbraw/zinc/01/14/05/811011405.db2.gz YVQCLWHFWPFMGY-CVEARBPZSA-N 0 3 297.402 2.092 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CC ZINC001039336259 811013378 /nfs/dbraw/zinc/01/33/78/811013378.db2.gz XSLSYQSPMGFAJQ-ZNMIVQPWSA-N 0 3 262.397 2.121 20 30 CEEDHN C[C@H](C#N)CN[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724068582 811034341 /nfs/dbraw/zinc/03/43/41/811034341.db2.gz MBWHJNHEDRUVMZ-AGIUHOORSA-N 0 3 281.400 2.429 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc[nH]1 ZINC001039473486 811037205 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CEEDHN C=CCN1CCC(C)(NC(=O)c2oc(CC)nc2C)CC1 ZINC001045610759 811631289 /nfs/dbraw/zinc/63/12/89/811631289.db2.gz UUZCIWTZFGWYPY-UHFFFAOYSA-N 0 3 291.395 2.316 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccccc2)C1 ZINC001046108342 811687040 /nfs/dbraw/zinc/68/70/40/811687040.db2.gz VZQCSAANAMIPFF-INIZCTEOSA-N 0 3 258.365 2.457 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2CC2(C)C)C1 ZINC001046250027 811721910 /nfs/dbraw/zinc/72/19/10/811721910.db2.gz WGRZSIISFCPTBI-SWLSCSKDSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccncc2C)C1 ZINC001046301310 811731514 /nfs/dbraw/zinc/73/15/14/811731514.db2.gz QFOCNHKGNQRQGC-INIZCTEOSA-N 0 3 273.380 2.160 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2[nH]c(C)cc2C)C1 ZINC001046423563 811752096 /nfs/dbraw/zinc/75/20/96/811752096.db2.gz DKCALCLDERUDQW-INIZCTEOSA-N 0 3 275.396 2.402 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001046550115 811773405 /nfs/dbraw/zinc/77/34/05/811773405.db2.gz DDXJYTFPUIRKMR-PBHICJAKSA-N 0 3 276.424 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C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)c1ccco1 ZINC001115129896 814683332 /nfs/dbraw/zinc/68/33/32/814683332.db2.gz HBRQGWVYMFBYTJ-FOCJUVANSA-N 0 3 274.364 2.006 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)c1ccccc1 ZINC001115203357 814686249 /nfs/dbraw/zinc/68/62/49/814686249.db2.gz OYGWPYIPRIMVOJ-KBEGMRNHSA-N 0 3 284.403 2.413 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](C)c3ccccc3)C[C@]2(C)C1 ZINC001092212005 814697770 /nfs/dbraw/zinc/69/77/70/814697770.db2.gz YIVZUNLRHSTXTN-SUMDDJOVSA-N 0 3 296.414 2.204 20 30 CEEDHN C=CC[C@H](C)NCc1cn(C)nc1Br ZINC000712408684 814743739 /nfs/dbraw/zinc/74/37/39/814743739.db2.gz KYMNCZVCZWUEHR-QMMMGPOBSA-N 0 3 258.163 2.237 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2oc(CC)cc2C)[C@H](C)C1 ZINC001093132333 814872189 /nfs/dbraw/zinc/87/21/89/814872189.db2.gz RKICLCFJVFBWAR-ZIAGYGMSSA-N 0 3 288.391 2.081 20 30 CEEDHN CC/C=C(/C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001124343386 815610256 /nfs/dbraw/zinc/61/02/56/815610256.db2.gz 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343625307 /nfs/dbraw/zinc/62/53/07/343625307.db2.gz FMSGJJHTBVJXOQ-AWEZNQCLSA-N 0 3 295.386 2.081 20 30 CEEDHN C=CCOc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000057553882 343633036 /nfs/dbraw/zinc/63/30/36/343633036.db2.gz CYHSTKLLZLDYCM-AWEZNQCLSA-N 0 3 286.375 2.218 20 30 CEEDHN C=CCNC(=O)[C@H](C)N(C)C[C@H](C)c1ccccc1 ZINC000066854083 343723397 /nfs/dbraw/zinc/72/33/97/343723397.db2.gz RAAYMAFBLHSYSW-KBPBESRZSA-N 0 3 260.381 2.413 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000066894624 343724487 /nfs/dbraw/zinc/72/44/87/343724487.db2.gz CTUVWIVODJZSCU-AWEZNQCLSA-N 0 3 282.428 2.348 20 30 CEEDHN C=CCCSCCNC(=O)CN(C)CC(C)(C)C ZINC000602177791 346989103 /nfs/dbraw/zinc/98/91/03/346989103.db2.gz GBXQAFZQXNHEHN-UHFFFAOYSA-N 0 3 272.458 2.390 20 30 CEEDHN N#CC[C@H]1CCCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000602177011 346989369 /nfs/dbraw/zinc/98/93/69/346989369.db2.gz BPQHWVNYDYFGAT-UKRRQHHQSA-N 0 3 275.396 2.156 20 30 CEEDHN CC[C@@H](O)CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000075715136 343864170 /nfs/dbraw/zinc/86/41/70/343864170.db2.gz HLOHGXOQUIJPEW-CQSZACIVSA-N 0 3 274.364 2.172 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCCC2CC2)CC1 ZINC000076978729 343903970 /nfs/dbraw/zinc/90/39/70/343903970.db2.gz JRBUMBDWNBALHS-UHFFFAOYSA-N 0 3 265.401 2.126 20 30 CEEDHN C=CCN1CCC[C@H](C(=O)Nc2nc(C)cs2)C1 ZINC000077410015 343919952 /nfs/dbraw/zinc/91/99/52/343919952.db2.gz RTCNENUANHGPTJ-NSHDSACASA-N 0 3 265.382 2.288 20 30 CEEDHN CC(C)C[C@@H](CNC(=O)C#Cc1ccccc1)N(C)C ZINC000081724751 344062607 /nfs/dbraw/zinc/06/26/07/344062607.db2.gz PSOBORWOLBPRES-INIZCTEOSA-N 0 3 272.392 2.131 20 30 CEEDHN C[C@@H](CCC#N)CN1CCN(c2ccccn2)CC1 ZINC000602429197 347029532 /nfs/dbraw/zinc/02/95/32/347029532.db2.gz NISZSRMSVPUEGP-AWEZNQCLSA-N 0 3 258.369 2.143 20 30 CEEDHN C[C@H](CCC#N)CN1CCC[C@H]1C(=O)NCc1ccco1 ZINC000602440947 347033477 /nfs/dbraw/zinc/03/34/77/347033477.db2.gz KEHOIYHHJYBFCF-HIFRSBDPSA-N 0 3 289.379 2.300 20 30 CEEDHN CCOC(=O)C1CCC(N(CC)CCC#N)CC1 ZINC000092898982 344206199 /nfs/dbraw/zinc/20/61/99/344206199.db2.gz NKYRJXVZVNSUIE-UHFFFAOYSA-N 0 3 252.358 2.344 20 30 CEEDHN C=CC1CCN(Cc2ccc(C(=O)OC)n2C)CC1 ZINC000602470672 347045697 /nfs/dbraw/zinc/04/56/97/347045697.db2.gz BTNNDVVYEGCADN-UHFFFAOYSA-N 0 3 262.353 2.210 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCN(C(C)C)CC1 ZINC000165444221 344474415 /nfs/dbraw/zinc/47/44/15/344474415.db2.gz RNZWIWXPPAGWSZ-UHFFFAOYSA-N 0 3 257.381 2.393 20 30 CEEDHN C[C@H]1C[C@H](N(C)C(=O)c2cccc(CC#N)c2)CCN1C ZINC000172621667 344496368 /nfs/dbraw/zinc/49/63/68/344496368.db2.gz WHTCJBLUTCHSJB-XJKSGUPXSA-N 0 3 285.391 2.307 20 30 CEEDHN CN(CC(=O)Nc1nncs1)C(C1CC1)C1CC1 ZINC000050988784 362424600 /nfs/dbraw/zinc/42/46/00/362424600.db2.gz JTENQJCKQQVDIP-UHFFFAOYSA-N 0 3 266.370 2.247 20 30 CEEDHN C[C@@H](CCC#N)CNCc1nnc2n1CCCCC2 ZINC000602501597 347058602 /nfs/dbraw/zinc/05/86/02/347058602.db2.gz FHGUQIIAMKZIBS-LBPRGKRZSA-N 0 3 261.373 2.034 20 30 CEEDHN CC(C)CC[C@H](N)C(=O)N1Cc2cccc(C#N)c2C1 ZINC000602521678 347065366 /nfs/dbraw/zinc/06/53/66/347065366.db2.gz PSCFMNSJIJXRSQ-HNNXBMFYSA-N 0 3 271.364 2.164 20 30 CEEDHN C[C@@H](NC[C@@H](C)CCC#N)c1nnc2ccccn21 ZINC000602510887 347061978 /nfs/dbraw/zinc/06/19/78/347061978.db2.gz GPJUDTHBTYVNLT-NWDGAFQWSA-N 0 3 257.341 2.320 20 30 CEEDHN CN(C)C[C@H](Cc1ccccc1)NCc1cccc(C#N)n1 ZINC000602517967 347064753 /nfs/dbraw/zinc/06/47/53/347064753.db2.gz IKGCVYQFIUUAKT-SFHVURJKSA-N 0 3 294.402 2.216 20 30 CEEDHN C[C@@H]1CN(CCN(C)Cc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000313834115 344743546 /nfs/dbraw/zinc/74/35/46/344743546.db2.gz MCGTUOMEXZNZBL-HUUCEWRRSA-N 0 3 287.407 2.099 20 30 CEEDHN C[C@@H](NCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000313880099 344743961 /nfs/dbraw/zinc/74/39/61/344743961.db2.gz HHODTWWFHSZUMH-QLFBSQMISA-N 0 3 287.407 2.318 20 30 CEEDHN Cc1ccc(CNC[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000314800382 344746649 /nfs/dbraw/zinc/74/66/49/344746649.db2.gz WLTADUHCUTVFJH-QGZVFWFLSA-N 0 3 296.370 2.396 20 30 CEEDHN CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000602535864 347069645 /nfs/dbraw/zinc/06/96/45/347069645.db2.gz ZNYXEMGQKZDDIP-ILXRZTDVSA-N 0 3 285.391 2.316 20 30 CEEDHN N#Cc1ccc(CNC2CC(n3cccn3)C2)c(F)c1 ZINC000602538505 347070178 /nfs/dbraw/zinc/07/01/78/347070178.db2.gz MRIYTQNDLWDFSN-UHFFFAOYSA-N 0 3 270.311 2.387 20 30 CEEDHN N#CC1(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000336374307 344765342 /nfs/dbraw/zinc/76/53/42/344765342.db2.gz RPFRRPNYMYEDBN-DZGCQCFKSA-N 0 3 259.397 2.239 20 30 CEEDHN N#CC1(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000336374308 344765354 /nfs/dbraw/zinc/76/53/54/344765354.db2.gz RPFRRPNYMYEDBN-HIFRSBDPSA-N 0 3 259.397 2.239 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccc(OC)cc1OC ZINC000320694273 344752819 /nfs/dbraw/zinc/75/28/19/344752819.db2.gz FBYPKYUEMXVNNB-CYBMUJFWSA-N 0 3 265.353 2.121 20 30 CEEDHN CC1(C)[C@H](NCc2cccc(C#N)n2)[C@@H]2CCCO[C@@H]21 ZINC000602562010 347078434 /nfs/dbraw/zinc/07/84/34/347078434.db2.gz UTXITOOJYMTDNS-ZNMIVQPWSA-N 0 3 271.364 2.246 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000382672235 344826632 /nfs/dbraw/zinc/82/66/32/344826632.db2.gz XIGUHFNBGBXKPE-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCN(CC)C2)cc1 ZINC000412853919 344891005 /nfs/dbraw/zinc/89/10/05/344891005.db2.gz ZICFJLFPJBZMJB-CQSZACIVSA-N 0 3 274.364 2.075 20 30 CEEDHN C[C@H]1c2ccsc2CCN1C(=O)[C@@H](N)CCCC#N ZINC000424062618 344896828 /nfs/dbraw/zinc/89/68/28/344896828.db2.gz HFDPPKUGHXRSRP-JQWIXIFHSA-N 0 3 277.393 2.215 20 30 CEEDHN C[C@H](CNC(=O)CCCCCC#N)N(C)C1CC1 ZINC000588343392 345046471 /nfs/dbraw/zinc/04/64/71/345046471.db2.gz BRPOLFLJDMSEPA-GFCCVEGCSA-N 0 3 251.374 2.059 20 30 CEEDHN CC(C)N1CCCN(C(=O)CCCCCC#N)CC1 ZINC000588343465 345046602 /nfs/dbraw/zinc/04/66/02/345046602.db2.gz XKEWVLPAHMVWRC-UHFFFAOYSA-N 0 3 265.401 2.403 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)c2cccc(C#N)n2)c1 ZINC000589300730 345076054 /nfs/dbraw/zinc/07/60/54/345076054.db2.gz ZYJKVBCEOOHHTM-UHFFFAOYSA-N 0 3 280.331 2.267 20 30 CEEDHN C=CCN1CCC(Nc2nc(C#N)ccc2C)CC1 ZINC000589112593 345065942 /nfs/dbraw/zinc/06/59/42/345065942.db2.gz XGWMUPPHHLQREJ-UHFFFAOYSA-N 0 3 256.353 2.324 20 30 CEEDHN C[C@@H](CNC(=O)CC1(C#N)CC1)N1CCCC[C@@H]1C ZINC000590153876 345118021 /nfs/dbraw/zinc/11/80/21/345118021.db2.gz OVUWYUGBCVLBEZ-STQMWFEESA-N 0 3 263.385 2.059 20 30 CEEDHN CN(C(=O)CC1CCN(C)CC1)c1cccc(C#N)c1 ZINC000589833144 345100924 /nfs/dbraw/zinc/10/09/24/345100924.db2.gz BGYZPHLOKPYCGX-UHFFFAOYSA-N 0 3 271.364 2.253 20 30 CEEDHN CCN(C)C(=O)[C@@H](NCc1ccc(C#N)cc1C)C(C)C ZINC000590749686 345173884 /nfs/dbraw/zinc/17/38/84/345173884.db2.gz CZYMKJGEZJOCEN-INIZCTEOSA-N 0 3 287.407 2.459 20 30 CEEDHN CN(C)CCN(Cc1cccs1)C(=O)CC1(C#N)CC1 ZINC000590295797 345125613 /nfs/dbraw/zinc/12/56/13/345125613.db2.gz OLAHIYQFUPOHCO-UHFFFAOYSA-N 0 3 291.420 2.332 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(c2nc(N)n[nH]2)CC1 ZINC000590598808 345149325 /nfs/dbraw/zinc/14/93/25/345149325.db2.gz BLMCAILPIBYACP-LLVKDONJSA-N 0 3 296.378 2.030 20 30 CEEDHN N#C[C@@]1(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC12CCCC2 ZINC000590632623 345153863 /nfs/dbraw/zinc/15/38/63/345153863.db2.gz VCHAMORQTMLCGA-RHSMWYFYSA-N 0 3 287.407 2.061 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1cnccn1 ZINC000590864405 345191534 /nfs/dbraw/zinc/19/15/34/345191534.db2.gz FUPJXNQZOSKKPB-HIFRSBDPSA-N 0 3 294.358 2.426 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]2COC[C@@H]21 ZINC000590921794 345199834 /nfs/dbraw/zinc/19/98/34/345199834.db2.gz PRURTQOQZRGIEN-ZACQAIPSSA-N 0 3 298.386 2.396 20 30 CEEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@@H](C(F)F)C1 ZINC000591021467 345212786 /nfs/dbraw/zinc/21/27/86/345212786.db2.gz QAVANFXWAKXYER-GFCCVEGCSA-N 0 3 293.317 2.474 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@]2(C1)c1ccccc1NC2=O ZINC000591029788 345213477 /nfs/dbraw/zinc/21/34/77/345213477.db2.gz JZXMTXJBIRGSTJ-WBMJQRKESA-N 0 3 269.348 2.274 20 30 CEEDHN CO[C@](C)([C@H](C)NCc1ccnc(C#N)c1)C1CC1 ZINC000591048562 345214087 /nfs/dbraw/zinc/21/40/87/345214087.db2.gz JSVUFQQVTMWOFT-XHDPSFHLSA-N 0 3 259.353 2.246 20 30 CEEDHN Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](N)CCCC#N)CC2 ZINC000591613269 345269644 /nfs/dbraw/zinc/26/96/44/345269644.db2.gz MIITWTVVQXKVBT-GJZGRUSLSA-N 0 3 271.364 2.120 20 30 CEEDHN C[C@H]1c2ccc(F)cc2CCN1C(=O)[C@H](N)CCCC#N ZINC000591616929 345269973 /nfs/dbraw/zinc/26/99/73/345269973.db2.gz YAJFYFHCNOVTSG-XHDPSFHLSA-N 0 3 289.354 2.293 20 30 CEEDHN N#Cc1ccc(CNC[C@H](O)CC(F)(F)F)c(F)c1 ZINC000591733922 345276161 /nfs/dbraw/zinc/27/61/61/345276161.db2.gz MAGWBSZZVBJPKP-SNVBAGLBSA-N 0 3 276.233 2.100 20 30 CEEDHN Cc1ccccc1OC[C@@H](O)CNCC(C)(C)CC#N ZINC000591770146 345278916 /nfs/dbraw/zinc/27/89/16/345278916.db2.gz CGQRQKHKVCETLJ-AWEZNQCLSA-N 0 3 276.380 2.264 20 30 CEEDHN CC(C)(C)N1CC[C@H](N[C@H]2CCC[C@H](C#N)C2)C1=O ZINC000592391620 345348803 /nfs/dbraw/zinc/34/88/03/345348803.db2.gz MQINZMVKMJVBLI-AVGNSLFASA-N 0 3 263.385 2.058 20 30 CEEDHN CC(C)[C@@H](NCc1ccncc1C#N)C1(CO)CCC1 ZINC000592121782 345325037 /nfs/dbraw/zinc/32/50/37/345325037.db2.gz DBSYQYGRKHYMAR-OAHLLOKOSA-N 0 3 273.380 2.230 20 30 CEEDHN N#CC[C@]1(O)CCN(CCC2(C#N)CCCCC2)C1 ZINC000592152954 345330753 /nfs/dbraw/zinc/33/07/53/345330753.db2.gz GUUQJTHNROVDDH-HNNXBMFYSA-N 0 3 261.369 2.201 20 30 CEEDHN C[C@H](CCC#N)N1CCC(c2nnc3n2CCC3)CC1 ZINC000593005925 345422261 /nfs/dbraw/zinc/42/22/61/345422261.db2.gz ALYVQMJRODVVHT-GFCCVEGCSA-N 0 3 273.384 2.096 20 30 CEEDHN Cn1c(=O)ccc2c1CCC[C@H]2NCc1cc(C#N)cs1 ZINC000593694235 345523376 /nfs/dbraw/zinc/52/33/76/345523376.db2.gz KXQFOOOSZFCPJC-CQSZACIVSA-N 0 3 299.399 2.486 20 30 CEEDHN CCC(C#N)C(=O)N1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000593746822 345532172 /nfs/dbraw/zinc/53/21/72/345532172.db2.gz GFBFSCNQDXQRAF-XQQFMLRXSA-N 0 3 294.395 2.362 20 30 CEEDHN C[C@@H](C(=O)NCC1(C#N)CCCC1)N1CCCCCC1 ZINC000593780084 345536827 /nfs/dbraw/zinc/53/68/27/345536827.db2.gz VNMUBTLVBVMTAD-AWEZNQCLSA-N 0 3 277.412 2.451 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC1(CN(C)C)CCC1 ZINC000594017948 345568025 /nfs/dbraw/zinc/56/80/25/345568025.db2.gz XPEVGUIJUBPUGH-AWEZNQCLSA-N 0 3 299.418 2.337 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCCCC[C@H]1CO ZINC000594017143 345568032 /nfs/dbraw/zinc/56/80/32/345568032.db2.gz RYQYHEDBWZPSPG-HNNXBMFYSA-N 0 3 274.364 2.304 20 30 CEEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)C(=O)N(C)C ZINC000594498726 345639129 /nfs/dbraw/zinc/63/91/29/345639129.db2.gz UTBXNRXIKBXKKH-GFCCVEGCSA-N 0 3 273.380 2.054 20 30 CEEDHN CC(C)(CNC(=O)CCCCC#N)N1CCCCC1 ZINC000594211052 345599010 /nfs/dbraw/zinc/59/90/10/345599010.db2.gz FEUMFTNFFKQPDA-UHFFFAOYSA-N 0 3 265.401 2.451 20 30 CEEDHN C=CCSCCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594227287 345601025 /nfs/dbraw/zinc/60/10/25/345601025.db2.gz WNIAQHXCIFCKMP-KGLIPLIRSA-N 0 3 297.468 2.222 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000594300498 345610228 /nfs/dbraw/zinc/61/02/28/345610228.db2.gz ABXKADVKHOZGPW-CKEIUWERSA-N 0 3 299.418 2.336 20 30 CEEDHN CCNC(=O)[C@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594493402 345637795 /nfs/dbraw/zinc/63/77/95/345637795.db2.gz LITKUTWGZPMMTM-LBPRGKRZSA-N 0 3 273.380 2.102 20 30 CEEDHN CCN1CCCC[C@@H]1C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594404449 345621865 /nfs/dbraw/zinc/62/18/65/345621865.db2.gz GJYVXJKFTJCGQY-MRXNPFEDSA-N 0 3 283.375 2.275 20 30 CEEDHN C[C@@H](O)CN(C(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000594416970 345624223 /nfs/dbraw/zinc/62/42/23/345624223.db2.gz ZUPKHSQZPJPKQS-HIFRSBDPSA-N 0 3 286.375 2.131 20 30 CEEDHN Cc1ccccc1CN(C)C(=O)[C@@H](N)CCCCC#N ZINC000594425944 345625680 /nfs/dbraw/zinc/62/56/80/345625680.db2.gz NKCYKOJGEMKUSV-HNNXBMFYSA-N 0 3 273.380 2.365 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594427001 345626683 /nfs/dbraw/zinc/62/66/83/345626683.db2.gz SDFPIYRPAPJFAC-AGIUHOORSA-N 0 3 251.374 2.093 20 30 CEEDHN CCOc1ccccc1CNC(=O)[C@@H](N)CCCCC#N ZINC000594427142 345626696 /nfs/dbraw/zinc/62/66/96/345626696.db2.gz GKCKEHDLFJPNDC-AWEZNQCLSA-N 0 3 289.379 2.113 20 30 CEEDHN C[C@H](CNC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594427705 345627052 /nfs/dbraw/zinc/62/70/52/345627052.db2.gz VZAQUXLGBAVEHE-HIFRSBDPSA-N 0 3 273.380 2.318 20 30 CEEDHN COCc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594428081 345627150 /nfs/dbraw/zinc/62/71/50/345627150.db2.gz LBOSEZANYHJKQJ-AWEZNQCLSA-N 0 3 275.352 2.183 20 30 CEEDHN COc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594430127 345627631 /nfs/dbraw/zinc/62/76/31/345627631.db2.gz WFBSMLCWXHGMIT-DOMZBBRYSA-N 0 3 289.379 2.284 20 30 CEEDHN C[C@@H]1CC[C@H](NC(=O)[C@H](N)CCCCC#N)[C@@H](C)C1 ZINC000594434934 345629827 /nfs/dbraw/zinc/62/98/27/345629827.db2.gz WXTAYPWGSXQLSJ-RQJABVFESA-N 0 3 265.401 2.339 20 30 CEEDHN C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594435480 345630123 /nfs/dbraw/zinc/63/01/23/345630123.db2.gz FUAMYHRKPBJURV-HZSPNIEDSA-N 0 3 265.401 2.435 20 30 CEEDHN N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)cc1[O-] ZINC000594437953 345630363 /nfs/dbraw/zinc/63/03/63/345630363.db2.gz YBTJHBKZSBQPGD-SNVBAGLBSA-N 0 3 281.743 2.395 20 30 CEEDHN CCc1ccc(O)c(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594438800 345630620 /nfs/dbraw/zinc/63/06/20/345630620.db2.gz XEYFUZAVNLENGC-GFCCVEGCSA-N 0 3 275.352 2.304 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccncc1 ZINC000594437573 345630721 /nfs/dbraw/zinc/63/07/21/345630721.db2.gz CYBNKOWVIZUKRM-CABCVRRESA-N 0 3 286.379 2.156 20 30 CEEDHN Cc1csc(C(C)(C)NC(=O)[C@H](N)CCCCC#N)n1 ZINC000594441677 345631353 /nfs/dbraw/zinc/63/13/53/345631353.db2.gz URMHUFGGKLUYSW-LLVKDONJSA-N 0 3 294.424 2.214 20 30 CEEDHN COc1cc(C)c(NC(=O)[C@H](N)CCCCC#N)cc1F ZINC000594442048 345631537 /nfs/dbraw/zinc/63/15/37/345631537.db2.gz BFEPXNTUUWOZGM-GFCCVEGCSA-N 0 3 293.342 2.493 20 30 CEEDHN CC[C@@H](NC(=O)[C@H](N)CCCCC#N)c1c(C)noc1C ZINC000594442728 345632013 /nfs/dbraw/zinc/63/20/13/345632013.db2.gz INMMJJNHFJTOTO-CHWSQXEVSA-N 0 3 292.383 2.270 20 30 CEEDHN Cc1ccsc1CCNC(=O)[C@H](N)CCCCC#N ZINC000594444066 345632192 /nfs/dbraw/zinc/63/21/92/345632192.db2.gz XGHYYUPETRMRKX-GFCCVEGCSA-N 0 3 279.409 2.127 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(C(=O)OC)oc1C ZINC000594605728 345659250 /nfs/dbraw/zinc/65/92/50/345659250.db2.gz BVZDXYJCVFYJNS-DOMZBBRYSA-N 0 3 293.363 2.445 20 30 CEEDHN C=CCCNCc1c(OC)cc(OC)cc1OC ZINC000161733274 539478960 /nfs/dbraw/zinc/47/89/60/539478960.db2.gz FMFBBEZNGMWUOV-UHFFFAOYSA-N 0 3 251.326 2.378 20 30 CEEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)C(=O)NCCF ZINC000594524520 345643599 /nfs/dbraw/zinc/64/35/99/345643599.db2.gz QTIPJNBOBJFLJU-LBPRGKRZSA-N 0 3 291.370 2.052 20 30 CEEDHN CO[C@H](CN[C@H](C)c1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000594711097 345676667 /nfs/dbraw/zinc/67/66/67/345676667.db2.gz NFOACHOOZZPDSQ-DAXOMENPSA-N 0 3 274.364 2.260 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2cccnc2N2CCCC2)C1 ZINC000595072296 345739270 /nfs/dbraw/zinc/73/92/70/345739270.db2.gz RHXUTBNRXCSUFU-UKRRQHHQSA-N 0 3 270.380 2.464 20 30 CEEDHN N#CC1(CNC2CCN([C@H]3CCOC3)CC2)CCCCC1 ZINC000595089232 345740716 /nfs/dbraw/zinc/74/07/16/345740716.db2.gz FZIIPXUZQBPFOK-INIZCTEOSA-N 0 3 291.439 2.303 20 30 CEEDHN C[C@@H](NCC1(C#N)CCCCC1)C(C)(C)n1cncn1 ZINC000595091634 345741609 /nfs/dbraw/zinc/74/16/09/345741609.db2.gz SGNMWWVKSDDCKW-CYBMUJFWSA-N 0 3 275.400 2.465 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1cnc2c(F)cccc2c1 ZINC000595255147 345748786 /nfs/dbraw/zinc/74/87/86/345748786.db2.gz KXIMNNRWOIFJOY-ZDUSSCGKSA-N 0 3 286.310 2.334 20 30 CEEDHN C[C@@H]1CCN(C(=O)[C@@H](N)CCCCC#N)[C@H](C)C1 ZINC000595257255 345749765 /nfs/dbraw/zinc/74/97/65/345749765.db2.gz RVGBAZRTELYSTC-UPJWGTAASA-N 0 3 251.374 2.045 20 30 CEEDHN CO[C@H](CNCc1ccc(C#N)c(C)c1)[C@@H]1CCOC1 ZINC000594954397 345715125 /nfs/dbraw/zinc/71/51/25/345715125.db2.gz ZMRIXPKBNPQFCW-HZPDHXFCSA-N 0 3 274.364 2.008 20 30 CEEDHN C=CCCSCCNCc1cccc(C(N)=O)c1 ZINC000594960217 345717383 /nfs/dbraw/zinc/71/73/83/345717383.db2.gz NHMHDEUTNWPSMO-UHFFFAOYSA-N 0 3 264.394 2.184 20 30 CEEDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2ccccc2C#N)C1 ZINC000594966448 345719008 /nfs/dbraw/zinc/71/90/08/345719008.db2.gz RXAQHYHTFBKTFF-KBRIMQKVSA-N 0 3 288.391 2.214 20 30 CEEDHN Cn1cc(C[C@@H]2CCC[C@@H]2NCc2ccc(C#N)o2)cn1 ZINC000594981379 345721526 /nfs/dbraw/zinc/72/15/26/345721526.db2.gz YLWRFTIEAGFWKP-BBRMVZONSA-N 0 3 284.363 2.386 20 30 CEEDHN COC(=O)[C@@H]1C[C@H]1[C@H](C)NCC1(C#N)CCCCC1 ZINC000594985514 345722115 /nfs/dbraw/zinc/72/21/15/345722115.db2.gz WPZKUEMOTLFFMP-RWMBFGLXSA-N 0 3 264.369 2.248 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC/C=C/CO ZINC000595068499 345738603 /nfs/dbraw/zinc/73/86/03/345738603.db2.gz IFBYSQAWVHNXJK-CWDCEQMOSA-N 0 3 256.349 2.464 20 30 CEEDHN CC[C@H](C)N(CC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000595592406 345819770 /nfs/dbraw/zinc/81/97/70/345819770.db2.gz DQRGVNBVKPRJAI-JSGCOSHPSA-N 0 3 253.390 2.161 20 30 CEEDHN CO[C@@H](CNC1(c2cccc(C#N)c2)CC1)[C@@H]1CCOC1 ZINC000595419490 345777743 /nfs/dbraw/zinc/77/77/43/345777743.db2.gz YTANZZKSQKECCI-ZBFHGGJFSA-N 0 3 286.375 2.188 20 30 CEEDHN C=C(CC)CN[C@](C)(CC(=O)OC)c1ccncc1 ZINC000595482954 345793063 /nfs/dbraw/zinc/79/30/63/345793063.db2.gz AWNIZXWSZZKMIZ-OAHLLOKOSA-N 0 3 262.353 2.416 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)NCCCCC#N ZINC000595487253 345793700 /nfs/dbraw/zinc/79/37/00/345793700.db2.gz GQYSTRXVQNXKDN-AWEZNQCLSA-N 0 3 280.416 2.100 20 30 CEEDHN CC(C)(C)N1CC[C@@H](NC(=O)N2CCC[C@](C)(C#N)C2)C1 ZINC000595699690 345853821 /nfs/dbraw/zinc/85/38/21/345853821.db2.gz VQSJFSOAKYHLNH-CZUORRHYSA-N 0 3 292.427 2.194 20 30 CEEDHN C[C@@H](N[C@@H]1Cc2ccccc2[C@@H]1C)C(=O)N(C)CCC#N ZINC000595709729 345856841 /nfs/dbraw/zinc/85/68/41/345856841.db2.gz ZDBGQQSUCQVHQX-WOSRLPQWSA-N 0 3 285.391 2.065 20 30 CEEDHN COc1ccc2c(c1)OC[C@H](NCc1cccc(C#N)n1)C2 ZINC000602580645 347087807 /nfs/dbraw/zinc/08/78/07/347087807.db2.gz YANICBNOMILUOO-OAHLLOKOSA-N 0 3 295.342 2.055 20 30 CEEDHN N#CC[C@H]1CCCN(CCC(=O)Nc2cccnc2)C1 ZINC000595623377 345831240 /nfs/dbraw/zinc/83/12/40/345831240.db2.gz OJVSATGNLSOQES-CYBMUJFWSA-N 0 3 272.352 2.036 20 30 CEEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000595660500 345841241 /nfs/dbraw/zinc/84/12/41/345841241.db2.gz SPZWUPUTKJQSCD-QWHCGFSZSA-N 0 3 295.427 2.287 20 30 CEEDHN CO[C@@]1(CO)CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000595660170 345841253 /nfs/dbraw/zinc/84/12/53/345841253.db2.gz RRQYHGINRPOWLJ-BBRMVZONSA-N 0 3 274.364 2.093 20 30 CEEDHN N#Cc1cccc(CN2CC[C@@H](CN3CCCC3=O)C2)c1 ZINC000595827999 345887480 /nfs/dbraw/zinc/88/74/80/345887480.db2.gz GTOUWHNKCOTHEP-MRXNPFEDSA-N 0 3 283.375 2.003 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@@H]2COC[C@H]2C1 ZINC000595828419 345887610 /nfs/dbraw/zinc/88/76/10/345887610.db2.gz DOVNGQCVOQVCSS-HUUCEWRRSA-N 0 3 272.348 2.035 20 30 CEEDHN C[C@@]1(C#N)CCN(CCCCN2CC[C@@](C)(C#N)C2)C1 ZINC000595839698 345895051 /nfs/dbraw/zinc/89/50/51/345895051.db2.gz IGSWASVALQXPFM-HOTGVXAUSA-N 0 3 274.412 2.238 20 30 CEEDHN C=CCN(CC(=O)N[C@@](C)(C#N)C1CC1)C(C)(C)C ZINC000595762622 345870562 /nfs/dbraw/zinc/87/05/62/345870562.db2.gz CDGUCOSUDWWJOV-HNNXBMFYSA-N 0 3 263.385 2.081 20 30 CEEDHN C=CCOCCNC1(c2cccc(C#N)c2)CCOCC1 ZINC000595770630 345872692 /nfs/dbraw/zinc/87/26/92/345872692.db2.gz ZGTNKEULIDNCGR-UHFFFAOYSA-N 0 3 286.375 2.356 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000595783469 345876091 /nfs/dbraw/zinc/87/60/91/345876091.db2.gz OQDFBHDSQKZOMU-IOASZLSFSA-N 0 3 277.412 2.305 20 30 CEEDHN Cc1cc(C#N)ccc1CN[C@H]1C[C@H](O)C12CCC2 ZINC000595784349 345876261 /nfs/dbraw/zinc/87/62/61/345876261.db2.gz VAUQUJMZKFSWGD-GJZGRUSLSA-N 0 3 256.349 2.260 20 30 CEEDHN COc1ccc(NC(=O)[C@H](N)CCCCC#N)c(F)c1 ZINC000602580778 347088088 /nfs/dbraw/zinc/08/80/88/347088088.db2.gz GPFRBZWTFRCRPP-GFCCVEGCSA-N 0 3 279.315 2.184 20 30 CEEDHN CN(C)C(=O)N(C)[C@@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000595823151 345886501 /nfs/dbraw/zinc/88/65/01/345886501.db2.gz HDHIIMRAFYXBLJ-CQSZACIVSA-N 0 3 294.443 2.394 20 30 CEEDHN CC[C@@H]1CCC[C@H](C)N1CC(=O)N(CCC#N)CCC#N ZINC000595866553 345901088 /nfs/dbraw/zinc/90/10/88/345901088.db2.gz IVXFOOYHKRAIBF-LSDHHAIUSA-N 0 3 290.411 2.295 20 30 CEEDHN C[C@H]1C[C@H](Nc2c(C#N)cnn2C)CN1Cc1ccccc1 ZINC000596160778 345956391 /nfs/dbraw/zinc/95/63/91/345956391.db2.gz HEAKMLHACYALCC-BBRMVZONSA-N 0 3 295.390 2.367 20 30 CEEDHN CN(C)CCN(CC1CCCCC1)c1cc(C#N)cnn1 ZINC000596170041 345958649 /nfs/dbraw/zinc/95/86/49/345958649.db2.gz NGQIXEANHNMUOB-UHFFFAOYSA-N 0 3 287.411 2.297 20 30 CEEDHN CN(CCN1CCCC1)c1nc(C#N)c(Cl)s1 ZINC000596112298 345942692 /nfs/dbraw/zinc/94/26/92/345942692.db2.gz MQUVHEJZSQUPOM-UHFFFAOYSA-N 0 3 270.789 2.200 20 30 CEEDHN CCN1CCCN(c2ncc3c(c2C#N)CCC3)[C@@H](C)C1 ZINC000596268034 345986285 /nfs/dbraw/zinc/98/62/85/345986285.db2.gz CFWQUOFKBKUYMU-ZDUSSCGKSA-N 0 3 284.407 2.362 20 30 CEEDHN C[N@@H+]1CCC[C@@H](CCN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596272250 345987879 /nfs/dbraw/zinc/98/78/79/345987879.db2.gz VMLHQHIPNGJUFS-VIFPVBQESA-N 0 3 284.816 2.234 20 30 CEEDHN C[N@H+]1CCC[C@@H](CCN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596272250 345987882 /nfs/dbraw/zinc/98/78/82/345987882.db2.gz VMLHQHIPNGJUFS-VIFPVBQESA-N 0 3 284.816 2.234 20 30 CEEDHN Cc1cc(C#N)nc(N[C@@H](C)CN2CCC(C)CC2)n1 ZINC000596487546 346036715 /nfs/dbraw/zinc/03/67/15/346036715.db2.gz HEOZCSDIASDABZ-ZDUSSCGKSA-N 0 3 273.384 2.189 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)CC1(C#N)CCCCC1 ZINC000596674669 346075868 /nfs/dbraw/zinc/07/58/68/346075868.db2.gz SKGIXYZGVXCTDS-CQSZACIVSA-N 0 3 277.412 2.451 20 30 CEEDHN CN1CCC(NC(=O)CC2(C#N)CCCCC2)CC1 ZINC000596673858 346075935 /nfs/dbraw/zinc/07/59/35/346075935.db2.gz YPCKRFOLAOJPML-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)NCC1(C#N)CCCCC1 ZINC000596862478 346097952 /nfs/dbraw/zinc/09/79/52/346097952.db2.gz VOMJAMGFHBYINA-UHFFFAOYSA-N 0 3 294.443 2.442 20 30 CEEDHN CN1CC=C(CNC(=O)NCC2(C#N)CCCCC2)CC1 ZINC000596869509 346098896 /nfs/dbraw/zinc/09/88/96/346098896.db2.gz RMSHSYBQXDNTJX-UHFFFAOYSA-N 0 3 290.411 2.022 20 30 CEEDHN N#CC1(c2ccc(CN3CCC[C@@H](CO)C3)cc2)CC1 ZINC000596975028 346111421 /nfs/dbraw/zinc/11/14/21/346111421.db2.gz OJBFTSNSMVFNRW-OAHLLOKOSA-N 0 3 270.376 2.446 20 30 CEEDHN N#CCC1CCN(Cc2ccnn2-c2ccncc2)CC1 ZINC000597083748 346126156 /nfs/dbraw/zinc/12/61/56/346126156.db2.gz WHFYYOPVCLIWMU-UHFFFAOYSA-N 0 3 281.363 2.393 20 30 CEEDHN C[C@H](CC#N)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000597118091 346130761 /nfs/dbraw/zinc/13/07/61/346130761.db2.gz ZMCWXNNIDPYISP-KGLIPLIRSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)CCN1C ZINC000597294137 346168432 /nfs/dbraw/zinc/16/84/32/346168432.db2.gz LEKYTXMAQYRZKD-KOLCDFICSA-N 0 3 293.317 2.049 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)CC2(C#N)CCCCC2)CCN1C ZINC000597293791 346168565 /nfs/dbraw/zinc/16/85/65/346168565.db2.gz HVDCICGJXGCTRX-KGLIPLIRSA-N 0 3 277.412 2.449 20 30 CEEDHN N#CCC1CN(CCCc2ccc3c(c2)CCO3)C1 ZINC000597204167 346148273 /nfs/dbraw/zinc/14/82/73/346148273.db2.gz RUORBSPCWUWWAV-UHFFFAOYSA-N 0 3 256.349 2.400 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)CC3(C#N)CCCCC3)[C@@H]2C1 ZINC000597483373 346192179 /nfs/dbraw/zinc/19/21/79/346192179.db2.gz DQLNJCBTBGNMFT-LSDHHAIUSA-N 0 3 289.423 2.403 20 30 CEEDHN CN1C[C@H]2[C@@H](CCN2C(=O)CC2(C#N)CCCCC2)C1 ZINC000597689722 346215583 /nfs/dbraw/zinc/21/55/83/346215583.db2.gz QQCGRSXPJHZTOS-KBPBESRZSA-N 0 3 275.396 2.013 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1cccs1)C(C)(C)CO ZINC000597847256 346238317 /nfs/dbraw/zinc/23/83/17/346238317.db2.gz SJWSQDOJCLQKNP-GXSJLCMTSA-N 0 3 266.366 2.084 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H](CC#N)C1 ZINC000597910007 346251106 /nfs/dbraw/zinc/25/11/06/346251106.db2.gz SZMBJARRAGKGOS-MJBXVCDLSA-N 0 3 263.385 2.011 20 30 CEEDHN N#Cc1cccc(CNCCNC(=O)c2ccccc2F)c1 ZINC000060527259 362665152 /nfs/dbraw/zinc/66/51/52/362665152.db2.gz ZDWFXOSMDTWYQN-UHFFFAOYSA-N 0 3 297.333 2.217 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccnc2ccccc12 ZINC000597980925 346262708 /nfs/dbraw/zinc/26/27/08/346262708.db2.gz VIVUSIWVFPJDCA-NSHDSACASA-N 0 3 253.305 2.053 20 30 CEEDHN CCN(C(=O)CCCCCC#N)[C@H]1CCN(CC)C1 ZINC000598041468 346274441 /nfs/dbraw/zinc/27/44/41/346274441.db2.gz UPZABXVFIPBAOM-AWEZNQCLSA-N 0 3 265.401 2.403 20 30 CEEDHN CCN(C(=O)Cc1ccc(C#N)cc1)[C@@H]1CCN(CC)C1 ZINC000598043163 346275137 /nfs/dbraw/zinc/27/51/37/346275137.db2.gz RJHADUKQVCWADC-MRXNPFEDSA-N 0 3 285.391 2.043 20 30 CEEDHN C[C@H](C#N)N(C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)C1CC1 ZINC000598128897 346293898 /nfs/dbraw/zinc/29/38/98/346293898.db2.gz DEGISHAQLKFYBI-LPWJVIDDSA-N 0 3 263.385 2.151 20 30 CEEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(C)(C)C#N)C1 ZINC000598195626 346303146 /nfs/dbraw/zinc/30/31/46/346303146.db2.gz PUIPXHPBLRNBME-MRXNPFEDSA-N 0 3 299.418 2.312 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)CC(C)(C)C#N ZINC000598262055 346316064 /nfs/dbraw/zinc/31/60/64/346316064.db2.gz XMGDQEAQTJDBJP-ZDUSSCGKSA-N 0 3 265.401 2.163 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000061627115 362686145 /nfs/dbraw/zinc/68/61/45/362686145.db2.gz XLSSBLOOWHNWBX-MRVPVSSYSA-N 0 3 256.227 2.481 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCSC(C)(C)C1 ZINC000598593839 346380347 /nfs/dbraw/zinc/38/03/47/346380347.db2.gz XDJHFFQDSYVKEM-LLVKDONJSA-N 0 3 256.415 2.115 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@@H](Oc2ccccc2)C1 ZINC000598627505 346387730 /nfs/dbraw/zinc/38/77/30/346387730.db2.gz GYYPRNQIBJETMF-GOEBONIOSA-N 0 3 288.391 2.440 20 30 CEEDHN C[C@H]1CCN(Cc2cc(C#N)cs2)C[C@H]1CO ZINC000598676486 346398487 /nfs/dbraw/zinc/39/84/87/346398487.db2.gz ITIUMCAQUJJXHM-JQWIXIFHSA-N 0 3 250.367 2.070 20 30 CEEDHN COc1ccc(CN2CC[C@@H](C)[C@H](CO)C2)cc1C#N ZINC000598648031 346392000 /nfs/dbraw/zinc/39/20/00/346392000.db2.gz QYTHKHBVNKCXFD-DOMZBBRYSA-N 0 3 274.364 2.017 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@@H](C)[C@H](CO)C1 ZINC000598648071 346392874 /nfs/dbraw/zinc/39/28/74/346392874.db2.gz REDIAKFRXWUOLC-DOMZBBRYSA-N 0 3 274.364 2.017 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(C#N)c(F)c1 ZINC000598727816 346410266 /nfs/dbraw/zinc/41/02/66/346410266.db2.gz JKLUIGWXMVBRLV-ZDUSSCGKSA-N 0 3 275.327 2.088 20 30 CEEDHN C[C@H](NCCN(C)CC(F)F)c1ccc(C#N)cc1 ZINC000599088584 346458711 /nfs/dbraw/zinc/45/87/11/346458711.db2.gz HSMUVMSZLZKPCO-NSHDSACASA-N 0 3 267.323 2.406 20 30 CEEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccccc1C#N ZINC000599256548 346484240 /nfs/dbraw/zinc/48/42/40/346484240.db2.gz CPUGUVKCYZAEHG-OAHLLOKOSA-N 0 3 274.364 2.196 20 30 CEEDHN CC(=O)N1CC[C@@H](CN(C)Cc2ccc(C)c(C#N)c2)C1 ZINC000599340752 346502340 /nfs/dbraw/zinc/50/23/40/346502340.db2.gz ZZNRMKFACRABHX-INIZCTEOSA-N 0 3 285.391 2.167 20 30 CEEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000599349107 346504406 /nfs/dbraw/zinc/50/44/06/346504406.db2.gz DEPNECWRPNLWSL-SMDDNHRTSA-N 0 3 289.335 2.300 20 30 CEEDHN Cc1ccncc1[C@H](C)NC[C@@H](O)CC1(C#N)CC1 ZINC000599362482 346507818 /nfs/dbraw/zinc/50/78/18/346507818.db2.gz OBLNCFOWMRXTLJ-STQMWFEESA-N 0 3 259.353 2.095 20 30 CEEDHN CCO[C@H]1COCC[C@@H]1NCc1ccc(C)c(C#N)c1 ZINC000599372296 346509210 /nfs/dbraw/zinc/50/92/10/346509210.db2.gz YRIBMUIKDJPNOE-HOTGVXAUSA-N 0 3 274.364 2.150 20 30 CEEDHN CCN(Cc1ccoc1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599282075 346490488 /nfs/dbraw/zinc/49/04/88/346490488.db2.gz MYTAUMZSCURKDA-HNNXBMFYSA-N 0 3 292.379 2.173 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](CO)C[C@H]1C ZINC000599675466 346561352 /nfs/dbraw/zinc/56/13/52/346561352.db2.gz OJWFXQGKCHOHEK-UKRRQHHQSA-N 0 3 258.365 2.460 20 30 CEEDHN N#CCc1cccc2c1CCN(CCn1ccnc1)C2 ZINC000599676353 346561419 /nfs/dbraw/zinc/56/14/19/346561419.db2.gz BCJFUNHMTSBCPD-UHFFFAOYSA-N 0 3 266.348 2.007 20 30 CEEDHN C=C(C)[C@H](CO)N1CCc2c(CC#N)cccc2C1 ZINC000599677507 346562232 /nfs/dbraw/zinc/56/22/32/346562232.db2.gz KIYZSQMWTYTVAV-INIZCTEOSA-N 0 3 256.349 2.048 20 30 CEEDHN C=CCC[C@H](O)CN1CCc2c(CC#N)cccc2C1 ZINC000599679413 346563166 /nfs/dbraw/zinc/56/31/66/346563166.db2.gz RMRYGSGFBPRXIB-INIZCTEOSA-N 0 3 270.376 2.438 20 30 CEEDHN Cc1ccc(CN[C@H]2C[C@H](O)C23CCC3)cc1C#N ZINC000599466525 346524808 /nfs/dbraw/zinc/52/48/08/346524808.db2.gz BOKBXNSXKRSCEL-GJZGRUSLSA-N 0 3 256.349 2.260 20 30 CEEDHN C=CCOCCN1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599583206 346542091 /nfs/dbraw/zinc/54/20/91/346542091.db2.gz QMNOVYDEMZDQEF-KBPBESRZSA-N 0 3 283.412 2.489 20 30 CEEDHN N#Cc1ccccc1CN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599635058 346550500 /nfs/dbraw/zinc/55/05/00/346550500.db2.gz HYWXYTKMNWJJET-JKSUJKDBSA-N 0 3 256.349 2.153 20 30 CEEDHN Cc1ccc([C@H](C)CN2CCN(CC#N)CC2)cc1 ZINC000600117569 346601018 /nfs/dbraw/zinc/60/10/18/346601018.db2.gz UQSIETJYXLEFJX-OAHLLOKOSA-N 0 3 257.381 2.240 20 30 CEEDHN Cc1ncc(CNC2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000600134609 346603162 /nfs/dbraw/zinc/60/31/62/346603162.db2.gz HWRIAEDZGFUTGG-UHFFFAOYSA-N 0 3 297.362 2.008 20 30 CEEDHN C[C@]1(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]2C[C@H]2C1 ZINC000600614407 346662822 /nfs/dbraw/zinc/66/28/22/346662822.db2.gz PAZVLPXIJZVSDB-DLTWYDFYSA-N 0 3 283.375 2.110 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)C1(C#N)CC2(CC2)C1 ZINC000600996100 346728952 /nfs/dbraw/zinc/72/89/52/346728952.db2.gz SNHGKGMTFKSVEC-CYBMUJFWSA-N 0 3 275.396 2.061 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@H]2CCCc3occc32)CC1 ZINC000600720346 346677717 /nfs/dbraw/zinc/67/77/17/346677717.db2.gz YOKRLJRQGLVHKD-AAEUAGOBSA-N 0 3 260.337 2.301 20 30 CEEDHN N#CC1(C[C@H](O)CNCc2ccccc2N2CCCC2)CC1 ZINC000600719976 346677883 /nfs/dbraw/zinc/67/78/83/346677883.db2.gz MOSKCGRKXWYVKU-INIZCTEOSA-N 0 3 299.418 2.431 20 30 CEEDHN CCCCn1cc(CNC[C@H](O)CC2(C#N)CC2)c(C)n1 ZINC000600732607 346680601 /nfs/dbraw/zinc/68/06/01/346680601.db2.gz SMQNQPBFVVAFSW-OAHLLOKOSA-N 0 3 290.411 2.136 20 30 CEEDHN N#Cc1ccc(CN2CCc3ccccc3[C@@H]2CN)o1 ZINC000600769878 346687325 /nfs/dbraw/zinc/68/73/25/346687325.db2.gz UIBHINAVXLLTMU-INIZCTEOSA-N 0 3 267.332 2.209 20 30 CEEDHN COc1ccc(-c2ccc(NCCN(C)C)nc2)c(C#N)c1 ZINC000600791517 346691615 /nfs/dbraw/zinc/69/16/15/346691615.db2.gz QACTXYFBLAJCQZ-UHFFFAOYSA-N 0 3 296.374 2.024 20 30 CEEDHN N#Cc1c(F)cccc1N1CCc2nccc(N)c2C1 ZINC000600840785 346699531 /nfs/dbraw/zinc/69/95/31/346699531.db2.gz VIQDXTHCTDCGSU-UHFFFAOYSA-N 0 3 268.295 2.237 20 30 CEEDHN CN(C)CCN(Cc1ccco1)Cc1nc(C#N)cs1 ZINC000356301736 370649145 /nfs/dbraw/zinc/64/91/45/370649145.db2.gz KQDBSXXXZAREAE-UHFFFAOYSA-N 0 3 290.392 2.172 20 30 CEEDHN CN1CC[C@H]2[C@H](CCCN2c2cc(C#N)nc(C3CC3)n2)C1 ZINC000601132200 346764003 /nfs/dbraw/zinc/76/40/03/346764003.db2.gz XWHOBOFMLQPWAD-HIFRSBDPSA-N 0 3 297.406 2.146 20 30 CEEDHN N#Cc1cnc(N2CCN3CC[C@H]2C3)c2sccc21 ZINC000601170349 346776306 /nfs/dbraw/zinc/77/63/06/346776306.db2.gz OYWKFNXKJFDICT-NSHDSACASA-N 0 3 270.361 2.062 20 30 CEEDHN CC[C@@H](C)N1CCN(c2cc(C#N)nc(C3CC3)n2)CC1 ZINC000601171917 346777158 /nfs/dbraw/zinc/77/71/58/346777158.db2.gz ROHNPLDVLMYUTB-GFCCVEGCSA-N 0 3 285.395 2.146 20 30 CEEDHN CCOC(=O)C[C@](C)(NCc1cccc(C#N)n1)C(C)C ZINC000602621041 347107688 /nfs/dbraw/zinc/10/76/88/347107688.db2.gz OQDJVBUBBDDQTJ-INIZCTEOSA-N 0 3 289.379 2.411 20 30 CEEDHN C[C@@H](CCC#N)CN(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000602622447 347107880 /nfs/dbraw/zinc/10/78/80/347107880.db2.gz IGAWMCPLSCQIDV-RYUDHWBXSA-N 0 3 253.390 2.161 20 30 CEEDHN C[C@H](CCC#N)CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000602623374 347108570 /nfs/dbraw/zinc/10/85/70/347108570.db2.gz PEHHYUXZEGIYQF-CYBMUJFWSA-N 0 3 287.411 2.349 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNCc1cccc(C#N)n1 ZINC000602643510 347120112 /nfs/dbraw/zinc/12/01/12/347120112.db2.gz LVDJFWDRCFCPHI-OAHLLOKOSA-N 0 3 272.396 2.163 20 30 CEEDHN CC(C)[C@H](NCc1cccc(C#N)n1)C1(CO)CCC1 ZINC000602670123 347134635 /nfs/dbraw/zinc/13/46/35/347134635.db2.gz APQPQSAIPFRXPE-HNNXBMFYSA-N 0 3 273.380 2.230 20 30 CEEDHN N#Cc1cccc(CNC[C@]2(CO)C[C@H]2c2ccccc2)n1 ZINC000602671702 347135136 /nfs/dbraw/zinc/13/51/36/347135136.db2.gz UHUIFOVLWNRUAK-ROUUACIJSA-N 0 3 293.370 2.209 20 30 CEEDHN CO[C@H]1C[C@@H](NCc2cccc(C#N)n2)C12CCC2 ZINC000602686795 347146060 /nfs/dbraw/zinc/14/60/60/347146060.db2.gz DZKVHYWZCWKJGE-KGLIPLIRSA-N 0 3 257.337 2.000 20 30 CEEDHN C[C@H](CCC#N)CN1CC(CO)(c2ccccc2)C1 ZINC000602688457 347148291 /nfs/dbraw/zinc/14/82/91/347148291.db2.gz BHVPZUVKYVWZOA-CQSZACIVSA-N 0 3 258.365 2.172 20 30 CEEDHN C[C@H](CNCc1cccc(C#N)n1)C(=O)OC(C)(C)C ZINC000602705723 347160121 /nfs/dbraw/zinc/16/01/21/347160121.db2.gz OQLHUVKQSIQNIT-LLVKDONJSA-N 0 3 275.352 2.021 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCCN3CCCC[C@H]23)n1 ZINC000602706107 347160180 /nfs/dbraw/zinc/16/01/80/347160180.db2.gz ARJIJGHYZGTVRK-HZPDHXFCSA-N 0 3 270.380 2.060 20 30 CEEDHN CO[C@@H](CN1CCC[C@@H](CC#N)C1)C1CCOCC1 ZINC000602707356 347162124 /nfs/dbraw/zinc/16/21/24/347162124.db2.gz UFFGRRWUYXTVBK-ZFWWWQNUSA-N 0 3 266.385 2.054 20 30 CEEDHN CC(C)(C)O[C@H]1C[C@H](NCc2cccc(C#N)n2)C1 ZINC000602708262 347162326 /nfs/dbraw/zinc/16/23/26/347162326.db2.gz XUJXCVXOCNRKOU-HDJSIYSDSA-N 0 3 259.353 2.389 20 30 CEEDHN C[C@]1(CCNCc2cccc(C#N)n2)CC1(F)F ZINC000602708877 347163082 /nfs/dbraw/zinc/16/30/82/347163082.db2.gz DUPHGPVFOAISHU-LBPRGKRZSA-N 0 3 251.280 2.478 20 30 CEEDHN C[C@H](CCC#N)CNCc1c(C(F)(F)F)cnn1C ZINC000602721557 347170715 /nfs/dbraw/zinc/17/07/15/347170715.db2.gz UNRQCWSJUFRSGW-SECBINFHSA-N 0 3 274.290 2.468 20 30 CEEDHN CC1(C)CCC[C@@](CO)(NCc2cccc(C#N)n2)C1 ZINC000602723108 347171458 /nfs/dbraw/zinc/17/14/58/347171458.db2.gz LWWBLYJIIWIKPV-MRXNPFEDSA-N 0 3 273.380 2.374 20 30 CEEDHN C[C@@H](CCC#N)CN1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602728415 347174313 /nfs/dbraw/zinc/17/43/13/347174313.db2.gz LWJXUKZAIWZAQA-NUEKZKHPSA-N 0 3 274.364 2.050 20 30 CEEDHN C[C@@H](CCC#N)CNCc1c(Br)cnn1C ZINC000602735773 347179429 /nfs/dbraw/zinc/17/94/29/347179429.db2.gz XSGKDQITXDUZTH-VIFPVBQESA-N 0 3 285.189 2.212 20 30 CEEDHN CN(Cc1ccc(C#N)s1)[C@@H]1CN2CCC1CC2 ZINC000602750719 347184316 /nfs/dbraw/zinc/18/43/16/347184316.db2.gz AKVJTTOSTKJSLA-CQSZACIVSA-N 0 3 261.394 2.146 20 30 CEEDHN N#C[C@H]1CCC[C@]2(C1)NC(=N)Nc1nc3ccccc3n12 ZINC000602757246 347186077 /nfs/dbraw/zinc/18/60/77/347186077.db2.gz JITQXKHFAGYQKC-BONVTDFDSA-N 0 3 280.335 2.353 20 30 CEEDHN Cc1ccccc1CN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858024 347227355 /nfs/dbraw/zinc/22/73/55/347227355.db2.gz XSBGXDRBVVFUGJ-GASCZTMLSA-N 0 3 257.381 2.413 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@@H](n3ccnn3)CC2)c1 ZINC000602888199 347239316 /nfs/dbraw/zinc/23/93/16/347239316.db2.gz LQRXAMRMKOOEBR-MRXNPFEDSA-N 0 3 281.363 2.377 20 30 CEEDHN N#Cc1ccc(C2CCN(Cc3ccnc(N)c3)CC2)nc1 ZINC000602905830 347243698 /nfs/dbraw/zinc/24/36/98/347243698.db2.gz DZXIUXZILCHQFW-UHFFFAOYSA-N 0 3 293.374 2.140 20 30 CEEDHN CC(C)(C#N)CCN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987833 347267920 /nfs/dbraw/zinc/26/79/20/347267920.db2.gz SKJLMOJPJNNUBO-VHSXEESVSA-N 0 3 264.291 2.029 20 30 CEEDHN CC(C)(C)[C@H](N)c1cn([C@@H](C#N)c2ccccc2)nn1 ZINC000603219921 347312744 /nfs/dbraw/zinc/31/27/44/347312744.db2.gz CPTGRERHCZZAQG-UONOGXRCSA-N 0 3 269.352 2.437 20 30 CEEDHN CCC[C@@H](N)c1cn(Cc2ccc(OC)c(C#N)c2)nn1 ZINC000603228751 347316186 /nfs/dbraw/zinc/31/61/86/347316186.db2.gz GSNWMNHQTSHQKF-CYBMUJFWSA-N 0 3 285.351 2.007 20 30 CEEDHN CC[C@@](C)(N)c1cn([C@H](C)c2cccc(C#N)c2)nn1 ZINC000603236349 347318561 /nfs/dbraw/zinc/31/85/61/347318561.db2.gz UGOOJAYPQJOZFI-IAQYHMDHSA-N 0 3 269.352 2.343 20 30 CEEDHN CC(C)C[C@H](C#N)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000609847909 347652640 /nfs/dbraw/zinc/65/26/40/347652640.db2.gz NAWAOUNQERBYQW-ZIAGYGMSSA-N 0 3 265.401 2.305 20 30 CEEDHN CC(C)N(CC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000611290065 347763632 /nfs/dbraw/zinc/76/36/32/347763632.db2.gz JXAKZYRQJHLUKF-MRXNPFEDSA-N 0 3 257.381 2.495 20 30 CEEDHN CCNC(=O)[C@H](NCc1ccc(C#N)c(C)c1)C(C)C ZINC000339335667 215102127 /nfs/dbraw/zinc/10/21/27/215102127.db2.gz YYHADBDJCPFWSM-OAHLLOKOSA-N 0 3 273.380 2.117 20 30 CEEDHN CCNC(=O)[C@@H](NCc1ccc(C#N)c(C)c1)C(C)C ZINC000339335665 215102149 /nfs/dbraw/zinc/10/21/49/215102149.db2.gz YYHADBDJCPFWSM-HNNXBMFYSA-N 0 3 273.380 2.117 20 30 CEEDHN CCOC(=O)CCC1CCN(CCCC#N)CC1 ZINC000610997713 347731049 /nfs/dbraw/zinc/73/10/49/347731049.db2.gz BZTJMWMJDBFBRR-UHFFFAOYSA-N 0 3 252.358 2.345 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000611072205 347736001 /nfs/dbraw/zinc/73/60/01/347736001.db2.gz MCFYNKZEJBGVHU-GOSISDBHSA-N 0 3 299.418 2.003 20 30 CEEDHN C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccccc1C#N ZINC000611120975 347741627 /nfs/dbraw/zinc/74/16/27/347741627.db2.gz SAZDPRKEBASYAE-CXAGYDPISA-N 0 3 297.402 2.295 20 30 CEEDHN CCCN(CC#CCOC)Cc1ccc(C#N)cc1 ZINC000611140435 347743680 /nfs/dbraw/zinc/74/36/80/347743680.db2.gz KZZFASAHBHWEIP-UHFFFAOYSA-N 0 3 256.349 2.420 20 30 CEEDHN CCN(Cc1ccc(C#N)s1)C[C@H]1CCOC1 ZINC000611256660 347759593 /nfs/dbraw/zinc/75/95/93/347759593.db2.gz LRUBWURLKCWZBC-LLVKDONJSA-N 0 3 250.367 2.478 20 30 CEEDHN CCCCN(C)CCNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612137010 347848167 /nfs/dbraw/zinc/84/81/67/347848167.db2.gz XHYDOXDFGLUCGW-OAHLLOKOSA-N 0 3 280.416 2.054 20 30 CEEDHN CCN1CC[C@H]2OCCN(Cc3ccc(C#N)c(C)c3)[C@H]2C1 ZINC000339391919 215140387 /nfs/dbraw/zinc/14/03/87/215140387.db2.gz KQWWCLAAWHPGNI-ZWKOTPCHSA-N 0 3 299.418 2.162 20 30 CEEDHN N#CC1(NC(=O)CN2CC[C@H]3CCC[C@H]32)CCCCC1 ZINC000614600832 348220880 /nfs/dbraw/zinc/22/08/80/348220880.db2.gz MAOIDAQDJMQPFX-ZIAGYGMSSA-N 0 3 275.396 2.203 20 30 CEEDHN N#CCNC(=O)CN(CCc1ccccc1)C1CCCC1 ZINC000066496988 362868516 /nfs/dbraw/zinc/86/85/16/362868516.db2.gz LAEBBUVIVYCPFD-UHFFFAOYSA-N 0 3 285.391 2.113 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(CCO)C(C)(C)C1 ZINC000615447497 348329085 /nfs/dbraw/zinc/32/90/85/348329085.db2.gz GTSDPOKFMMKLLN-AWEZNQCLSA-N 0 3 287.407 2.008 20 30 CEEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(C)nc2)n1 ZINC000616177108 348452380 /nfs/dbraw/zinc/45/23/80/348452380.db2.gz STYWCVCBRAAAFT-LLVKDONJSA-N 0 3 272.333 2.401 20 30 CEEDHN CN(C)CCN(c1cccc(C#N)n1)C1CCCC1 ZINC000357623307 233111368 /nfs/dbraw/zinc/11/13/68/233111368.db2.gz HDAPNTCTTZXXRP-UHFFFAOYSA-N 0 3 258.369 2.264 20 30 CEEDHN Cc1cc(CNC[C@H](O)COc2ccccc2)ccc1C#N ZINC000618190723 348896506 /nfs/dbraw/zinc/89/65/06/348896506.db2.gz UBQDEUQBICAWGR-KRWDZBQOSA-N 0 3 296.370 2.396 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@H](CO)c2ccsc2)C1 ZINC000618578572 348981926 /nfs/dbraw/zinc/98/19/26/348981926.db2.gz HURWJUQNMFHHRN-KGYLQXTDSA-N 0 3 250.367 2.453 20 30 CEEDHN Cc1cc(CN2CCC(OCCCO)CC2)ccc1C#N ZINC000618594422 348990608 /nfs/dbraw/zinc/99/06/08/348990608.db2.gz OZEBUMZPCXILNP-UHFFFAOYSA-N 0 3 288.391 2.230 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC3(CC(F)C3)C2)cc1 ZINC000619385366 349166942 /nfs/dbraw/zinc/16/69/42/349166942.db2.gz IYXVBPSYTJARHL-AWEZNQCLSA-N 0 3 297.333 2.201 20 30 CEEDHN N#Cc1ccc(OCCN[C@H](CO)c2ccsc2)cc1 ZINC000352033153 219296880 /nfs/dbraw/zinc/29/68/80/219296880.db2.gz QUZYCQCDLSQLSW-OAHLLOKOSA-N 0 3 288.372 2.322 20 30 CEEDHN N#CCC1(CNCc2ccccc2-n2cncn2)CC1 ZINC000619530042 349193659 /nfs/dbraw/zinc/19/36/59/349193659.db2.gz DHNKTTBYBVVKAO-UHFFFAOYSA-N 0 3 267.336 2.051 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)CCN1CCCC1 ZINC000130461643 365958839 /nfs/dbraw/zinc/95/88/39/365958839.db2.gz SXHCMQJCKCMRQK-UHFFFAOYSA-N 0 3 273.380 2.094 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000623633597 350071498 /nfs/dbraw/zinc/07/14/98/350071498.db2.gz WYXGPSCEMVWYMA-CQSZACIVSA-N 0 3 279.428 2.372 20 30 CEEDHN C=C[C@@H](C)NC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000623747508 350100472 /nfs/dbraw/zinc/10/04/72/350100472.db2.gz 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283167324 /nfs/dbraw/zinc/16/73/24/283167324.db2.gz YIZIEACSELZWQQ-AWEZNQCLSA-N 0 3 256.353 2.018 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H]1COCCO1 ZINC000360648208 283192834 /nfs/dbraw/zinc/19/28/34/283192834.db2.gz QDDRIMPTNOZWFY-NVXWUHKLSA-N 0 3 286.375 2.331 20 30 CEEDHN C=CCCCN(C)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000076737438 363543531 /nfs/dbraw/zinc/54/35/31/363543531.db2.gz LYSWYVDWAMQWEL-CYBMUJFWSA-N 0 3 295.427 2.431 20 30 CEEDHN N#Cc1ccccc1N1CCN(CC[C@@H]2CCCO2)CC1 ZINC000189015976 283216365 /nfs/dbraw/zinc/21/63/65/283216365.db2.gz GFAGCOGDXNFYEB-INIZCTEOSA-N 0 3 285.391 2.249 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H](C)Cc2ccco2)CC1 ZINC000668370426 538893727 /nfs/dbraw/zinc/89/37/27/538893727.db2.gz XFUNKQBHZZIOJO-CYBMUJFWSA-N 0 3 276.380 2.225 20 30 CEEDHN C[C@@H](CCCO)CNCc1ccc(C#N)cc1F ZINC000294721901 199151492 /nfs/dbraw/zinc/15/14/92/199151492.db2.gz FNIWUOUJQIHUJA-NSHDSACASA-N 0 3 250.317 2.196 20 30 CEEDHN CCN1CCC(N(C)c2nccc(C)c2C#N)CC1 ZINC000135071133 366392946 /nfs/dbraw/zinc/39/29/46/366392946.db2.gz BFCVFRDHKGCZMN-UHFFFAOYSA-N 0 3 258.369 2.182 20 30 CEEDHN Cc1ccnc(N2CC[C@H](N3CCCCC3)C2)c1C#N ZINC000135077436 366393079 /nfs/dbraw/zinc/39/30/79/366393079.db2.gz YNPQZPQYBLKHOO-AWEZNQCLSA-N 0 3 270.380 2.326 20 30 CEEDHN N#Cc1ccc(CNC[C@@H]2CCN(CC(F)(F)F)C2)o1 ZINC000135151215 366402824 /nfs/dbraw/zinc/40/28/24/366402824.db2.gz DFBXCHOXTQZFNO-JTQLQIEISA-N 0 3 287.285 2.125 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H](O)C(F)(F)F ZINC000577900385 366414839 /nfs/dbraw/zinc/41/48/39/366414839.db2.gz RLAQBASVTLZLGT-OLZOCXBDSA-N 0 3 284.281 2.448 20 30 CEEDHN N#Cc1ccc(CNC[C@H](O)C2CC2)c(C(F)(F)F)c1 ZINC000352831337 219669268 /nfs/dbraw/zinc/66/92/68/219669268.db2.gz GMLZQNLMHWNHJX-ZDUSSCGKSA-N 0 3 284.281 2.438 20 30 CEEDHN C#CCCCC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000150730596 366593131 /nfs/dbraw/zinc/59/31/31/366593131.db2.gz VNCIKSXYMICDAF-UHFFFAOYSA-N 0 3 278.308 2.202 20 30 CEEDHN C[C@@H]1C[C@@H]1N1C[C@H](N[C@@H]2CCc3ccc(C#N)cc32)CC1=O ZINC000579652364 366677411 /nfs/dbraw/zinc/67/74/11/366677411.db2.gz ZQNRPHJTVKTVJW-PREXVCJDSA-N 0 3 295.386 2.144 20 30 CEEDHN CCCn1nccc1C1CCN(CCOCCC#N)CC1 ZINC000339153554 366679658 /nfs/dbraw/zinc/67/96/58/366679658.db2.gz AHPZTAJVRNLLJU-UHFFFAOYSA-N 0 3 290.411 2.403 20 30 CEEDHN CN(C)CCN(C(=O)c1cc(C#N)c[nH]1)c1ccccc1 ZINC000177781390 189069176 /nfs/dbraw/zinc/06/91/76/189069176.db2.gz DWXGULHCQCUGDQ-UHFFFAOYSA-N 0 3 282.347 2.095 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1CC(C)(C)c2ccccc21 ZINC000180036010 189233622 /nfs/dbraw/zinc/23/36/22/189233622.db2.gz FQJHOWRPWVRCAV-CQSZACIVSA-N 0 3 258.365 2.301 20 30 CEEDHN COc1cc(CN[C@@H]2C[C@H]2C(F)F)ccc1C#N ZINC000342236874 216272524 /nfs/dbraw/zinc/27/25/24/216272524.db2.gz RFAXXLXBRKGMIQ-GHMZBOCLSA-N 0 3 252.264 2.310 20 30 CEEDHN C=CCCOCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000677620070 541028909 /nfs/dbraw/zinc/02/89/09/541028909.db2.gz QEBSQYIGCZVYAZ-DOTOQJQBSA-N 0 3 288.391 2.141 20 30 CEEDHN COc1ccc(CN2[C@H](C)CCC[C@H]2CO)cc1C#N ZINC000181379825 189295205 /nfs/dbraw/zinc/29/52/05/189295205.db2.gz GHKQCRCDDTZBBX-DOMZBBRYSA-N 0 3 274.364 2.302 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1c[nH]c(C#N)c1 ZINC000181383962 189295591 /nfs/dbraw/zinc/29/55/91/189295591.db2.gz PSTPAYPZNLSVCE-CYBMUJFWSA-N 0 3 296.374 2.137 20 30 CEEDHN N#Cc1ccccc1N1CCN(C[C@H]2CCCC[C@H]2O)CC1 ZINC000579791344 366702533 /nfs/dbraw/zinc/70/25/33/366702533.db2.gz HXVVSTCDAHWSPK-SJLPKXTDSA-N 0 3 299.418 2.231 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000579917304 366720735 /nfs/dbraw/zinc/72/07/35/366720735.db2.gz MPAFBGSMBAFEED-WMLDXEAASA-N 0 3 289.423 2.451 20 30 CEEDHN N#Cc1ccccc1OCCN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000153130661 366731116 /nfs/dbraw/zinc/73/11/16/366731116.db2.gz WZLYSLDEYAMNPD-WBVHZDCISA-N 0 3 286.375 2.438 20 30 CEEDHN C[C@H]1[C@H](NC(=O)Nc2cccc(C#N)c2)CCCN1C ZINC000342348516 216319632 /nfs/dbraw/zinc/31/96/32/216319632.db2.gz VKPUWDHLFITENN-SMDDNHRTSA-N 0 3 272.352 2.162 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc(C)c2F)CC1 ZINC000182563042 189327602 /nfs/dbraw/zinc/32/76/02/189327602.db2.gz WCDDWRNTWPATNL-UHFFFAOYSA-N 0 3 274.339 2.418 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc2ccc(C#N)cn12 ZINC000580155330 366756687 /nfs/dbraw/zinc/75/66/87/366756687.db2.gz OWIVOEPCVGVLNV-CABCVRRESA-N 0 3 282.347 2.029 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(OCC(F)F)cc1 ZINC000184272394 189381535 /nfs/dbraw/zinc/38/15/35/189381535.db2.gz PXQTWKQIDKECAS-GFCCVEGCSA-N 0 3 271.307 2.357 20 30 CEEDHN CN(C)[C@@H](CNc1ccc(C#N)nn1)c1cccc(F)c1 ZINC000301853562 201233897 /nfs/dbraw/zinc/23/38/97/201233897.db2.gz XYFYDHLHNVUODJ-AWEZNQCLSA-N 0 3 285.326 2.202 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000678773083 541171195 /nfs/dbraw/zinc/17/11/95/541171195.db2.gz GFIZRFWGAJYEQP-DZGCQCFKSA-N 0 3 271.364 2.460 20 30 CEEDHN COC(=O)C[C@H]1CCCCN1CCC(C)(C)C#N ZINC000087594721 363860887 /nfs/dbraw/zinc/86/08/87/363860887.db2.gz ZLGFUHHXLJMHPF-GFCCVEGCSA-N 0 3 252.358 2.344 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@H](C(=O)OC)C2)cc1 ZINC000092643836 364093490 /nfs/dbraw/zinc/09/34/90/364093490.db2.gz UBBHKGPXQZMUER-HNNXBMFYSA-N 0 3 287.359 2.084 20 30 CEEDHN N#Cc1ccc2ncc(CN3C[C@H]4CCC[C@@H]4C3)n2c1 ZINC000093443145 364180215 /nfs/dbraw/zinc/18/02/15/364180215.db2.gz DLIWYXAQTNFMSU-ZIAGYGMSSA-N 0 3 266.348 2.438 20 30 CEEDHN CCOC[C@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000093839365 364232569 /nfs/dbraw/zinc/23/25/69/364232569.db2.gz UHUKAWUOPMHWSW-NSHDSACASA-N 0 3 250.367 2.478 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000335291716 364679242 /nfs/dbraw/zinc/67/92/42/364679242.db2.gz YSFLVNOJDCDTKY-BLLLJJGKSA-N 0 3 270.332 2.194 20 30 CEEDHN C[C@]1(C(=O)N2CCC(CCC#N)CC2)CCCCN1 ZINC000335420060 364711875 /nfs/dbraw/zinc/71/18/75/364711875.db2.gz WRDKQUVLAGAPFA-OAHLLOKOSA-N 0 3 263.385 2.061 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@H]1CCCCN1CC ZINC000111883884 364765983 /nfs/dbraw/zinc/76/59/83/364765983.db2.gz BITWJIZWOUWXDQ-CQSZACIVSA-N 0 3 265.401 2.244 20 30 CEEDHN CC(C)(C)C(=O)NC[C@H]1CCCN(CCCC#N)C1 ZINC000112699584 364830465 /nfs/dbraw/zinc/83/04/65/364830465.db2.gz YPEIHCSXAVIJDE-CYBMUJFWSA-N 0 3 265.401 2.164 20 30 CEEDHN N#Cc1csc(CN2CC[C@H](O)C23CCCC3)c1 ZINC000335713918 364873033 /nfs/dbraw/zinc/87/30/33/364873033.db2.gz HWOAJIZUEILJGE-ZDUSSCGKSA-N 0 3 262.378 2.499 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000335738697 364910170 /nfs/dbraw/zinc/91/01/70/364910170.db2.gz VZQOFVYIPTXGLR-RYUDHWBXSA-N 0 3 250.342 2.144 20 30 CEEDHN CN1CCC[C@@H](CNc2ncc(C#N)cc2Cl)C1 ZINC000114709847 364960088 /nfs/dbraw/zinc/96/00/88/364960088.db2.gz YEYDYKVITUXDPV-JTQLQIEISA-N 0 3 264.760 2.360 20 30 CEEDHN C[C@@H]1C[C@H](O)CN1Cc1ccccc1C(C)(C)C#N ZINC000335935269 365181951 /nfs/dbraw/zinc/18/19/51/365181951.db2.gz YHPXPWWPMYEDLW-OCCSQVGLSA-N 0 3 258.365 2.443 20 30 CEEDHN OCCN(CC#Cc1cccc(Cl)c1)C1CCOCC1 ZINC000275478474 193054527 /nfs/dbraw/zinc/05/45/27/193054527.db2.gz DOHXABQEFSNAHD-UHFFFAOYSA-N 0 3 293.794 2.165 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc(C)cc(F)c2)CC1 ZINC000120342198 365409930 /nfs/dbraw/zinc/40/99/30/365409930.db2.gz YCQGMYAKSSRWHB-UHFFFAOYSA-N 0 3 274.339 2.418 20 30 CEEDHN COCC1(O)CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000275770277 193124243 /nfs/dbraw/zinc/12/42/43/193124243.db2.gz YSJJGNKBJNNBRD-CYBMUJFWSA-N 0 3 274.364 2.093 20 30 CEEDHN C=CCCCN(C)Cc1cc(=O)n2ccsc2n1 ZINC000121071291 365519163 /nfs/dbraw/zinc/51/91/63/365519163.db2.gz TZKKJXUFYHMTRH-UHFFFAOYSA-N 0 3 263.366 2.154 20 30 CEEDHN COC[C@H]1CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000120961963 365504277 /nfs/dbraw/zinc/50/42/77/365504277.db2.gz VBMJTWUNHIWYHB-AWEZNQCLSA-N 0 3 274.364 2.425 20 30 CEEDHN CC(C)CN(CCN(C)C)C(=O)c1ccc(C#N)s1 ZINC000340536560 366927483 /nfs/dbraw/zinc/92/74/83/366927483.db2.gz RVOCXCOFNSTRNO-UHFFFAOYSA-N 0 3 279.409 2.280 20 30 CEEDHN C[C@H]1CCN(CCNC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000582640527 366937758 /nfs/dbraw/zinc/93/77/58/366937758.db2.gz LVMJOUVWXFOKGA-AWEZNQCLSA-N 0 3 297.402 2.048 20 30 CEEDHN CCC[C@H](C#N)NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000583858888 367106482 /nfs/dbraw/zinc/10/64/82/367106482.db2.gz YXADQIMGADVQSB-QNWHQSFQSA-N 0 3 251.374 2.056 20 30 CEEDHN C#CCN(C[C@@H](O)COCC)[C@H]1CCc2ccccc21 ZINC000245466650 370825255 /nfs/dbraw/zinc/82/52/55/370825255.db2.gz JKJJBIYSZQHDIS-WBVHZDCISA-N 0 3 273.376 2.007 20 30 CEEDHN CCN(CC)[C@H](CNC(=O)[C@@H](C)C#N)c1ccsc1 ZINC000357834061 370830246 /nfs/dbraw/zinc/83/02/46/370830246.db2.gz QHTNNGCGLFPWGO-WCQYABFASA-N 0 3 279.409 2.407 20 30 CEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000357834777 370830693 /nfs/dbraw/zinc/83/06/93/370830693.db2.gz SDCWDGRIYHLSSP-QWHCGFSZSA-N 0 3 291.420 2.236 20 30 CEEDHN C#CCN(C(=O)NC1CCN(C2CC2)CC1)C1CCCC1 ZINC000163045058 367215323 /nfs/dbraw/zinc/21/53/23/367215323.db2.gz AZRVDQCHJYMCRY-UHFFFAOYSA-N 0 3 289.423 2.201 20 30 CEEDHN C[C@@H]1CN(CCCC(C)(C)C#N)C[C@H](C)N1CC#N ZINC000602864972 367216911 /nfs/dbraw/zinc/21/69/11/367216911.db2.gz RIFWPIYVRCQLBH-OKILXGFUSA-N 0 3 262.401 2.235 20 30 CEEDHN C[C@@H]1CCC[C@H]1NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000163088981 367217684 /nfs/dbraw/zinc/21/76/84/367217684.db2.gz XKKKLSGGJKWZGH-IUODEOHRSA-N 0 3 292.404 2.110 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000163337054 367233248 /nfs/dbraw/zinc/23/32/48/367233248.db2.gz ZEOBPXDCIJCFDQ-UHFFFAOYSA-N 0 3 274.368 2.362 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N(C)CCN1CCCC1 ZINC000341464504 367345718 /nfs/dbraw/zinc/34/57/18/367345718.db2.gz LUKRYRQVAPTKJI-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000341367234 367307317 /nfs/dbraw/zinc/30/73/17/367307317.db2.gz HFKCEOKYVCYWHZ-IHRRRGAJSA-N 0 3 267.417 2.323 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(OC)c(OC)c1C ZINC000342137730 367386189 /nfs/dbraw/zinc/38/61/89/367386189.db2.gz AFDBKBMBXGAZSJ-ZDUSSCGKSA-N 0 3 265.353 2.039 20 30 CEEDHN C[C@@H]1CSC[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000342299765 367399920 /nfs/dbraw/zinc/39/99/20/367399920.db2.gz BTPTVSDNVWQIRR-UGFHNGPFSA-N 0 3 299.399 2.108 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000342395800 367405178 /nfs/dbraw/zinc/40/51/78/367405178.db2.gz ZKVRPIFXVBLBGN-KBPBESRZSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000342400861 367407031 /nfs/dbraw/zinc/40/70/31/367407031.db2.gz LANTXBWJZPXGPJ-RRFJBIMHSA-N 0 3 280.412 2.053 20 30 CEEDHN CN(C)C(=O)[C@H](NCCCCC#N)c1ccccc1 ZINC000171034550 367466146 /nfs/dbraw/zinc/46/61/46/367466146.db2.gz QRGMCBMMDNKJFF-CQSZACIVSA-N 0 3 259.353 2.099 20 30 CEEDHN Cn1nccc1CNCCSCc1ccccc1C#N ZINC000171381056 367530631 /nfs/dbraw/zinc/53/06/31/367530631.db2.gz FYWLYDDFPFLYBG-UHFFFAOYSA-N 0 3 286.404 2.315 20 30 CEEDHN CO[C@@H]1CCCC[C@@H]1NCc1cnc2ccc(C#N)cn12 ZINC000342736528 367507830 /nfs/dbraw/zinc/50/78/30/367507830.db2.gz XZXLFLCFXZDSSN-LSDHHAIUSA-N 0 3 284.363 2.253 20 30 CEEDHN C=CC[C@@H](CO)NCc1c[nH]nc1-c1ccsc1 ZINC000681981499 541615242 /nfs/dbraw/zinc/61/52/42/541615242.db2.gz MBRDPUUDXJRGJI-LBPRGKRZSA-N 0 3 263.366 2.165 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)/C=C/c1ccccc1C#N ZINC000172235864 367701686 /nfs/dbraw/zinc/70/16/86/367701686.db2.gz NQLUANUMPADLCU-FEAKQIBJSA-N 0 3 297.402 2.372 20 30 CEEDHN C=CCCC[C@H](C)NS(=O)(=O)CCCN1CCCC1 ZINC000632184098 367704604 /nfs/dbraw/zinc/70/46/04/367704604.db2.gz NJFUMFWRPSRZMM-AWEZNQCLSA-N 0 3 288.457 2.137 20 30 CEEDHN C[C@H]1[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CCCN1C ZINC000343441182 367818150 /nfs/dbraw/zinc/81/81/50/367818150.db2.gz CBHKTJYLPIIWOL-XJKSGUPXSA-N 0 3 297.402 2.189 20 30 CEEDHN C[C@@H]1[C@@H](Nc2c(C#N)nnc3ccccc32)CCCN1C ZINC000343476928 367837606 /nfs/dbraw/zinc/83/76/06/367837606.db2.gz WYJAWAANDTYJIJ-YPMHNXCESA-N 0 3 281.363 2.396 20 30 CEEDHN N#CCc1ccc(CN2CCC(N3CCCC3=O)CC2)cc1 ZINC000343505312 367849697 /nfs/dbraw/zinc/84/96/97/367849697.db2.gz DEEHKQQEZKNRQH-UHFFFAOYSA-N 0 3 297.402 2.339 20 30 CEEDHN C=CCN1CC[C@H](N(C)C[C@@H](C)CC2CCOCC2)C1=O ZINC000343626283 367926558 /nfs/dbraw/zinc/92/65/58/367926558.db2.gz SRSKMGBFSLEPFV-HOCLYGCPSA-N 0 3 294.439 2.158 20 30 CEEDHN Cc1ncccc1CNCCOc1ccc(C#N)cc1 ZINC000174562087 368040666 /nfs/dbraw/zinc/04/06/66/368040666.db2.gz NXMKNLWCEMQJBF-UHFFFAOYSA-N 0 3 267.332 2.430 20 30 CEEDHN N#Cc1ccc(OCCNCc2cnc3ccccn23)cc1 ZINC000174558133 368040781 /nfs/dbraw/zinc/04/07/81/368040781.db2.gz OOQVWMUJCZXPLU-UHFFFAOYSA-N 0 3 292.342 2.375 20 30 CEEDHN C[C@H](CN1CCC[C@H](C)C1)NCc1ccc(C#N)o1 ZINC000174301060 368007682 /nfs/dbraw/zinc/00/76/82/368007682.db2.gz OUHLHAIAPJUFDV-QWHCGFSZSA-N 0 3 261.369 2.361 20 30 CEEDHN CO[C@@H](C)CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000344153267 368111639 /nfs/dbraw/zinc/11/16/39/368111639.db2.gz KSYXHRKNVWECJJ-ZFWWWQNUSA-N 0 3 274.364 2.252 20 30 CEEDHN C=C(C)CNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000633174706 368091539 /nfs/dbraw/zinc/09/15/39/368091539.db2.gz AKCGKLRUJDMGMT-INIZCTEOSA-N 0 3 287.407 2.445 20 30 CEEDHN C=CC1CCN(C(=O)NC[C@@H]2CCCN2CC)CC1 ZINC000175393494 368133794 /nfs/dbraw/zinc/13/37/94/368133794.db2.gz ZAUOVICQGHCUKR-AWEZNQCLSA-N 0 3 265.401 2.078 20 30 CEEDHN CCN(CCOC)C(=O)C(C#N)CCc1ccccc1 ZINC000345419091 368268430 /nfs/dbraw/zinc/26/84/30/368268430.db2.gz YLTZBIDKKAZDMP-OAHLLOKOSA-N 0 3 274.364 2.254 20 30 CEEDHN N#Cc1ccc(C2=CCN(C[C@H]3C[C@@H](O)C3)CC2)cc1 ZINC000335496504 212176738 /nfs/dbraw/zinc/17/67/38/212176738.db2.gz SCXJVWFKCXDXQX-KDYLLFBJSA-N 0 3 268.360 2.418 20 30 CEEDHN CC(C)(C#N)CCN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000345731931 368392884 /nfs/dbraw/zinc/39/28/84/368392884.db2.gz IUAQZFAROQWJRG-ZJUUUORDSA-N 0 3 264.291 2.314 20 30 CEEDHN C=C(C)CN(C)Cc1ccc(OCC(=O)OC)cc1 ZINC000180732721 368393673 /nfs/dbraw/zinc/39/36/73/368393673.db2.gz MXYJKLCWVLTWCT-UHFFFAOYSA-N 0 3 263.337 2.246 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)NC[C@H]1CCCN(C)C1 ZINC000180902386 368401491 /nfs/dbraw/zinc/40/14/91/368401491.db2.gz GSLULNMULXAQDZ-UONOGXRCSA-N 0 3 267.417 2.372 20 30 CEEDHN C=C1CC(C)(C(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000634097662 368540477 /nfs/dbraw/zinc/54/04/77/368540477.db2.gz DFBSDJUPVJTKEZ-UHFFFAOYSA-N 0 3 288.395 2.445 20 30 CEEDHN CN(CC1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182663151 368576111 /nfs/dbraw/zinc/57/61/11/368576111.db2.gz DOWKZRRXASTJPV-MRXNPFEDSA-N 0 3 283.375 2.395 20 30 CEEDHN C=CCCC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346180426 368581229 /nfs/dbraw/zinc/58/12/29/368581229.db2.gz GWVNXOQEMCMHNT-BFHYXJOUSA-N 0 3 250.386 2.141 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000346433253 368673161 /nfs/dbraw/zinc/67/31/61/368673161.db2.gz MKBCLSKZNBWQHJ-MCIONIFRSA-N 0 3 277.412 2.305 20 30 CEEDHN CC[C@H]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000246218013 370929405 /nfs/dbraw/zinc/92/94/05/370929405.db2.gz KZMHXWVXWVJTGP-BBRMVZONSA-N 0 3 283.375 2.395 20 30 CEEDHN C=CCOCCCN1C[C@@H](CC)N(C(C)=O)C[C@H]1CC ZINC000348045328 368871162 /nfs/dbraw/zinc/87/11/62/368871162.db2.gz ICVXAOMJYCNKDF-HZPDHXFCSA-N 0 3 282.428 2.300 20 30 CEEDHN C=CCOCCCN1C[C@@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000348045329 368871237 /nfs/dbraw/zinc/87/12/37/368871237.db2.gz ICVXAOMJYCNKDF-JKSUJKDBSA-N 0 3 282.428 2.300 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CCCO[C@@H]1CC(C)C ZINC000186345931 368960404 /nfs/dbraw/zinc/96/04/04/368960404.db2.gz MDQZREOANZJHFK-HZPDHXFCSA-N 0 3 294.439 2.370 20 30 CEEDHN CCCCN(CCCO)Cc1cnc2ccc(C#N)cn12 ZINC000349386951 369317336 /nfs/dbraw/zinc/31/73/36/369317336.db2.gz SRXLQCRCPKSSBV-UHFFFAOYSA-N 0 3 286.379 2.190 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)c2cccc(F)c2C#N)CN1C1CC1 ZINC000190185220 369602318 /nfs/dbraw/zinc/60/23/18/369602318.db2.gz NVYFLTJGAISUSA-WDEREUQCSA-N 0 3 287.338 2.052 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000351640419 369645364 /nfs/dbraw/zinc/64/53/64/369645364.db2.gz HNFTXVYBUFTPNM-DZGCQCFKSA-N 0 3 265.401 2.163 20 30 CEEDHN C=CCCCCNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000351644222 369647223 /nfs/dbraw/zinc/64/72/23/369647223.db2.gz JTGLMZVHJJCFIN-GXTWGEPZSA-N 0 3 265.401 2.125 20 30 CEEDHN CCc1nc(CCNCc2cc(C#N)n(C)c2)cs1 ZINC000190927981 369662790 /nfs/dbraw/zinc/66/27/90/369662790.db2.gz LGURHBDDUUOELR-UHFFFAOYSA-N 0 3 274.393 2.248 20 30 CEEDHN Cn1cccc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000191002052 369667562 /nfs/dbraw/zinc/66/75/62/369667562.db2.gz YAJCNTUDGZWWKK-NSHDSACASA-N 0 3 276.299 2.458 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(Br)o1 ZINC000191593842 369724739 /nfs/dbraw/zinc/72/47/39/369724739.db2.gz RBCIYZVKYGBVAM-QMMMGPOBSA-N 0 3 260.131 2.069 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc3ccn(C)c32)CC1 ZINC000191587721 369724756 /nfs/dbraw/zinc/72/47/56/369724756.db2.gz LCQRGXOOPPELCH-UHFFFAOYSA-N 0 3 295.386 2.462 20 30 CEEDHN Cn1cc(CNCC[C@@](C)(O)c2ccccc2)cc1C#N ZINC000191618669 369726075 /nfs/dbraw/zinc/72/60/75/369726075.db2.gz QXHULRYYYVDLKD-QGZVFWFLSA-N 0 3 283.375 2.284 20 30 CEEDHN CCOC(=O)C[C@@](C)(NCc1cc(C#N)n(C)c1)C(C)C ZINC000191617035 369726970 /nfs/dbraw/zinc/72/69/70/369726970.db2.gz XZIGJPAMKILFMR-MRXNPFEDSA-N 0 3 291.395 2.354 20 30 CEEDHN C(#Cc1ccccc1)CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000192125278 369774918 /nfs/dbraw/zinc/77/49/18/369774918.db2.gz XIQBIRJYQVKZGO-QGZVFWFLSA-N 0 3 280.375 2.042 20 30 CEEDHN COC(=O)C(C)(C)CCNCc1cc(C#N)cs1 ZINC000352917814 369948949 /nfs/dbraw/zinc/94/89/49/369948949.db2.gz ZMXPORSMZRAUGP-UHFFFAOYSA-N 0 3 266.366 2.299 20 30 CEEDHN CC(C)(C)c1ccc(CNCCn2cnc(C#N)n2)cc1 ZINC000353048094 369999743 /nfs/dbraw/zinc/99/97/43/369999743.db2.gz PALHVVNSTAWPRS-UHFFFAOYSA-N 0 3 283.379 2.237 20 30 CEEDHN COc1cc2c(cc1CNCCCCC#N)OCO2 ZINC000353099428 370017087 /nfs/dbraw/zinc/01/70/87/370017087.db2.gz WVNQCUDYWCAPSO-UHFFFAOYSA-N 0 3 262.309 2.207 20 30 CEEDHN C[C@@H](C(=O)N(C)CC(C)(C)C#N)N1CCCCCC1 ZINC000353290283 370106880 /nfs/dbraw/zinc/10/68/80/370106880.db2.gz RDCWNYKXELSNQE-ZDUSSCGKSA-N 0 3 265.401 2.259 20 30 CEEDHN CCN(C[C@@H](O)c1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000218445516 370210314 /nfs/dbraw/zinc/21/03/14/370210314.db2.gz DVEOAITXCPQXID-JKSUJKDBSA-N 0 3 274.364 2.093 20 30 CEEDHN CS[C@H](CO)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000224670527 370281638 /nfs/dbraw/zinc/28/16/38/370281638.db2.gz 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373070020 /nfs/dbraw/zinc/07/00/20/373070020.db2.gz AAUAGJGWZZEGKF-UHFFFAOYSA-N 0 3 259.349 2.309 20 30 CEEDHN COCC[C@@](C)(O)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271916668 373214058 /nfs/dbraw/zinc/21/40/58/373214058.db2.gz CNMAVVVJKSNXFZ-XHDPSFHLSA-N 0 3 280.343 2.135 20 30 CEEDHN CN(C)C[C@H]1CCCN1c1snc(Cl)c1C#N ZINC000271303547 373187916 /nfs/dbraw/zinc/18/79/16/373187916.db2.gz HCXAZQCNJQZQKR-MRVPVSSYSA-N 0 3 270.789 2.199 20 30 CEEDHN CC#CCCN1CCCN(Cc2noc(C(C)C)n2)CC1 ZINC000368649331 373254812 /nfs/dbraw/zinc/25/48/12/373254812.db2.gz CVWYDWJFOHLGLS-UHFFFAOYSA-N 0 3 290.411 2.114 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H](C)CCc1ccccc1 ZINC000272800388 373661011 /nfs/dbraw/zinc/66/10/11/373661011.db2.gz BFSKWSXWYYSCLF-CQSZACIVSA-N 0 3 281.421 2.198 20 30 CEEDHN COC(=O)[C@@H](C)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000370743611 373735489 /nfs/dbraw/zinc/73/54/89/373735489.db2.gz XFBFQYJPUNLXPT-ZDUSSCGKSA-N 0 3 284.359 2.456 20 30 CEEDHN CC(C)(C#N)CCN1CCC[C@H](N2CCCCC2=O)C1 ZINC000371197908 373811466 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/nfs/dbraw/zinc/25/40/36/375254036.db2.gz BOTZCJZKJPRIOO-SMDDNHRTSA-N 0 3 279.336 2.137 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000280727464 375298416 /nfs/dbraw/zinc/29/84/16/375298416.db2.gz JNWGOCZPQSZRNK-GFCCVEGCSA-N 0 3 289.379 2.310 20 30 CEEDHN C[S@@](=O)C1(CNCc2ccc(C#N)s2)CCC1 ZINC000280740517 375303669 /nfs/dbraw/zinc/30/36/69/375303669.db2.gz WTASQDURWALIAZ-QGZVFWFLSA-N 0 3 268.407 2.011 20 30 CEEDHN Cc1ccc(OC[C@@H](O)CNCc2ccc(C#N)cc2)cc1 ZINC000386423660 375260263 /nfs/dbraw/zinc/26/02/63/375260263.db2.gz BMGFJJQCNJPDKW-KRWDZBQOSA-N 0 3 296.370 2.396 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000280645388 375271583 /nfs/dbraw/zinc/27/15/83/375271583.db2.gz JAUFFFYNVRXNQW-BLLLJJGKSA-N 0 3 277.364 2.472 20 30 CEEDHN COc1cc(CNC[C@@H]2CC[C@@H](C)O2)ccc1C#N ZINC000398118469 375346473 /nfs/dbraw/zinc/34/64/73/375346473.db2.gz FQWMERQBAJSCCI-RISCZKNCSA-N 0 3 260.337 2.224 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CCC[C@H]1C#N)N1CCCCCC1 ZINC000408335044 375456146 /nfs/dbraw/zinc/45/61/46/375456146.db2.gz SCXHFNGVMJAJEJ-HZSPNIEDSA-N 0 3 263.385 2.059 20 30 CEEDHN Cc1cc(C#N)cc(N[C@@H]2C[C@H](C)N(C3CC3)C2)n1 ZINC000408228018 375433395 /nfs/dbraw/zinc/43/33/95/375433395.db2.gz VHPRQQURMMZSFZ-WCQYABFASA-N 0 3 256.353 2.299 20 30 CEEDHN COc1cc(CN(C)C[C@@H]2CCC[C@@H]2O)ccc1C#N ZINC000282427117 375481327 /nfs/dbraw/zinc/48/13/27/375481327.db2.gz SXKZBJSIOQNJKA-GJZGRUSLSA-N 0 3 274.364 2.160 20 30 CEEDHN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4ccccc4C#N)[C@H]1[C@H]3C2 ZINC000286554536 375991008 /nfs/dbraw/zinc/99/10/08/375991008.db2.gz OSVYINHKXBSKPB-QUSNUVHPSA-N 0 3 268.360 2.413 20 30 CEEDHN C=C(C)CNC(=O)NC[C@@H](N)c1ccccc1CC ZINC000418648394 376317640 /nfs/dbraw/zinc/31/76/40/376317640.db2.gz HULWVHYELHOAMH-CQSZACIVSA-N 0 3 261.369 2.124 20 30 CEEDHN C=CCNC(=O)CN(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419324037 376441137 /nfs/dbraw/zinc/44/11/37/376441137.db2.gz JLQVPSKFMZMKJT-CHWSQXEVSA-N 0 3 252.402 2.435 20 30 CEEDHN C[C@H]1[C@@H](C)N(CC(=O)NC2(C#N)CCCCC2)C[C@H]1C ZINC000419388621 376450238 /nfs/dbraw/zinc/45/02/38/376450238.db2.gz GRERLDMRPROXQZ-MGPQQGTHSA-N 0 3 277.412 2.305 20 30 CEEDHN CC(C)[C@@H](O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305804099 376496952 /nfs/dbraw/zinc/49/69/52/376496952.db2.gz FSFQERCSPKBCGW-HZMBPMFUSA-N 0 3 250.317 2.365 20 30 CEEDHN CCCN(CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000264144489 190092848 /nfs/dbraw/zinc/09/28/48/190092848.db2.gz RFLRVPTWZAHYCK-UHFFFAOYSA-N 0 3 271.364 2.049 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000334338547 206390952 /nfs/dbraw/zinc/39/09/52/206390952.db2.gz YQMMNCUGVWVVIA-ZDUSSCGKSA-N 0 3 286.379 2.425 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CC(F)(F)F)CC1 ZINC000264459575 190111107 /nfs/dbraw/zinc/11/11/07/190111107.db2.gz FROQPOOKXYSJDJ-UHFFFAOYSA-N 0 3 264.291 2.096 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N(C)C[C@H]1CCCN1C ZINC000420820012 376722289 /nfs/dbraw/zinc/72/22/89/376722289.db2.gz GYUSZKIYQPSONF-UONOGXRCSA-N 0 3 267.417 2.467 20 30 CEEDHN CC(C#N)C(=O)NCCc1cccc(Br)c1 ZINC000314140373 376764320 /nfs/dbraw/zinc/76/43/20/376764320.db2.gz DNHHJOUQJBDEHY-SECBINFHSA-N 0 3 281.153 2.267 20 30 CEEDHN COc1cc(CN2CCC[C@]23CCOC3)ccc1C#N ZINC000313054393 376737868 /nfs/dbraw/zinc/73/78/68/376737868.db2.gz STFZJMGBZANPID-MRXNPFEDSA-N 0 3 272.348 2.322 20 30 CEEDHN Cc1c(C(=O)C(C#N)c2cc(C)nc(C)n2)ccn1C ZINC000684948503 542095580 /nfs/dbraw/zinc/09/55/80/542095580.db2.gz MYNBBGUAMRMSKW-ZDUSSCGKSA-N 0 3 268.320 2.230 20 30 CEEDHN C[C@@H]1CCC[C@]1(O)CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000329329318 376946872 /nfs/dbraw/zinc/94/68/72/376946872.db2.gz YJLDPRKICFNQIC-XPKDYRNWSA-N 0 3 280.412 2.368 20 30 CEEDHN C[C@@H](NC(=O)[C@@H]1CC(=O)N[C@H](C)C1)C1=CCN(C)CC1 ZINC000329667746 376985680 /nfs/dbraw/zinc/98/56/80/376985680.db2.gz LNGCFBORCWCECL-WZRBSPASSA-N 0 3 279.384 2.348 20 30 CEEDHN CCN1CCC(NC(=O)CSc2cccnn2)CC1 ZINC000329695389 376997693 /nfs/dbraw/zinc/99/76/93/376997693.db2.gz DALGVWAHFKDWGD-UHFFFAOYSA-N 0 3 280.397 2.010 20 30 CEEDHN N#Cc1ccc(CN(C[C@@H]2CCCNC2=O)C2CC2)cc1 ZINC000563098235 377093082 /nfs/dbraw/zinc/09/30/82/377093082.db2.gz OWVKHCMWQCMPOR-HNNXBMFYSA-N 0 3 283.375 2.049 20 30 CEEDHN C#CCOc1ccccc1NC(=O)CC1CCN(C)CC1 ZINC000291493488 377196960 /nfs/dbraw/zinc/19/69/60/377196960.db2.gz BLMDXUNBSSMJFZ-UHFFFAOYSA-N 0 3 286.375 2.369 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)NCC#Cc1ccccc1 ZINC000264783810 190134442 /nfs/dbraw/zinc/13/44/42/190134442.db2.gz YWMFTHCITMMFSY-KRWDZBQOSA-N 0 3 299.418 2.212 20 30 CEEDHN C#CCOc1ccccc1CN1CC[C@@H](n2cccn2)C1 ZINC000291345848 377184991 /nfs/dbraw/zinc/18/49/91/377184991.db2.gz WNCOAAOFDVPRRZ-MRXNPFEDSA-N 0 3 281.359 2.342 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCCc1cccc(C#N)c1 ZINC000331003775 377234364 /nfs/dbraw/zinc/23/43/64/377234364.db2.gz RVDYMWMMPADASB-OKILXGFUSA-N 0 3 285.391 2.090 20 30 CEEDHN CC#CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000292624816 377257444 /nfs/dbraw/zinc/25/74/44/377257444.db2.gz SDAQUSWOKPARRG-ZFWWWQNUSA-N 0 3 273.380 2.000 20 30 CEEDHN C#CCN(C)CCCNc1cc(C(F)(F)F)ccn1 ZINC000292659627 377260883 /nfs/dbraw/zinc/26/08/83/377260883.db2.gz CHLYEMQMPQGKRX-UHFFFAOYSA-N 0 3 271.286 2.467 20 30 CEEDHN CC(C)[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)N1CCCCC1 ZINC000424969453 377314421 /nfs/dbraw/zinc/31/44/21/377314421.db2.gz BIVMWFHTTPHSDA-ZNMIVQPWSA-N 0 3 277.412 2.305 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000424701875 377286146 /nfs/dbraw/zinc/28/61/46/377286146.db2.gz ISMXGAXPRLLRJD-CQSZACIVSA-N 0 3 270.442 2.142 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2CCCN(C(C)C)C2)CCOCC1 ZINC000424782935 377295935 /nfs/dbraw/zinc/29/59/35/377295935.db2.gz PIPHZXCNIBNNDW-HNNXBMFYSA-N 0 3 294.439 2.348 20 30 CEEDHN CCC(=O)N1CC[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000564258375 377366255 /nfs/dbraw/zinc/36/62/55/377366255.db2.gz DEDNNTLPHISVDV-GDBMZVCRSA-N 0 3 283.375 2.146 20 30 CEEDHN CN(CC#Cc1ccc(F)cc1)[C@@H]1CCCC[C@H]1O ZINC000426242834 377394742 /nfs/dbraw/zinc/39/47/42/377394742.db2.gz YJOHNCSYMRBZND-HZPDHXFCSA-N 0 3 261.340 2.413 20 30 CEEDHN C#CCNC(=O)CCN(C)[C@@H](C)c1sc(CC)nc1C ZINC000292913087 377347572 /nfs/dbraw/zinc/34/75/72/377347572.db2.gz XGENXLSMPPOICG-LBPRGKRZSA-N 0 3 293.436 2.146 20 30 CEEDHN C=C[C@@H](C)NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425473616 377350795 /nfs/dbraw/zinc/35/07/95/377350795.db2.gz XWVHBTURKFPYOD-HYVNUMGLSA-N 0 3 299.418 2.477 20 30 CEEDHN C#CCCOc1ccc(CNCCSCCCO)cc1 ZINC000264990899 190150034 /nfs/dbraw/zinc/15/00/34/190150034.db2.gz XDRPVXDXQSVQGR-UHFFFAOYSA-N 0 3 293.432 2.294 20 30 CEEDHN N#Cc1ccccc1OCCN1CCN(C2CCC2)CC1 ZINC000264991842 190150140 /nfs/dbraw/zinc/15/01/40/190150140.db2.gz NGVAIHHOPLGHLV-UHFFFAOYSA-N 0 3 285.391 2.107 20 30 CEEDHN CCN(CCN1CCCCCC1)C(=O)c1cc(C#N)c[nH]1 ZINC000331549260 377471550 /nfs/dbraw/zinc/47/15/50/377471550.db2.gz RMJSBKZLYJWWPV-UHFFFAOYSA-N 0 3 288.395 2.224 20 30 CEEDHN CC/C=C/CNC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000564860447 377481232 /nfs/dbraw/zinc/48/12/32/377481232.db2.gz RBVVKRZTDDENGS-NHZBNJEXSA-N 0 3 274.364 2.048 20 30 CEEDHN C#CCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000265017329 190152528 /nfs/dbraw/zinc/15/25/28/190152528.db2.gz AASQWYBTYLDUDJ-UHFFFAOYSA-N 0 3 270.332 2.248 20 30 CEEDHN C=CCOc1ccc(CN2C[C@H](O)C3(CC3)C2)cc1 ZINC000428382947 377492054 /nfs/dbraw/zinc/49/20/54/377492054.db2.gz TXVRIWSEWXHVPW-HNNXBMFYSA-N 0 3 259.349 2.208 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@@H]1C[C@H](OC)C1(CC)CC ZINC000429311325 377514738 /nfs/dbraw/zinc/51/47/38/377514738.db2.gz QUHVETWGTAHCEN-CABCVRRESA-N 0 3 294.439 2.370 20 30 CEEDHN Cc1ccnc([C@H]2CCN(CCOCCC#N)C2)c1 ZINC000565173602 377587920 /nfs/dbraw/zinc/58/79/20/377587920.db2.gz ODLAADMWUFSJQI-AWEZNQCLSA-N 0 3 259.353 2.110 20 30 CEEDHN C=CCNC(=O)CN1C[C@H](C)C[C@H]1c1ccccc1 ZINC000285464636 542215700 /nfs/dbraw/zinc/21/57/00/542215700.db2.gz AVVTUMOEVUUHJV-HIFRSBDPSA-N 0 3 258.365 2.372 20 30 CEEDHN CC[C@@H](O)[C@H](CC)NCc1ccc(C#N)c(OC)c1 ZINC000313174018 249388473 /nfs/dbraw/zinc/38/84/73/249388473.db2.gz YLPSIBNDJGWNBW-UONOGXRCSA-N 0 3 262.353 2.206 20 30 CEEDHN Cc1cc(N2CCN(C)CC2)ccc1NCCC#N ZINC000566121151 377728264 /nfs/dbraw/zinc/72/82/64/377728264.db2.gz YLSGPBJUZVZXDG-UHFFFAOYSA-N 0 3 258.369 2.072 20 30 CEEDHN CN(CCCN(C)C(=O)CCCC#N)Cc1ccncc1 ZINC000566014661 377711512 /nfs/dbraw/zinc/71/15/12/377711512.db2.gz OFUSEXAFRAIXSW-UHFFFAOYSA-N 0 3 288.395 2.056 20 30 CEEDHN N#CCCC[C@@H](NCCN1C(=O)CCC1=O)c1ccccc1 ZINC000433028473 377780266 /nfs/dbraw/zinc/78/02/66/377780266.db2.gz ORJQMKUFTTYJRR-OAHLLOKOSA-N 0 3 299.374 2.160 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCc1cccnc1 ZINC000433128402 377780343 /nfs/dbraw/zinc/78/03/43/377780343.db2.gz LNRKDLMFENUYCP-MRXNPFEDSA-N 0 3 279.343 2.470 20 30 CEEDHN CC(C)(C#N)CCN(CCO)[C@@H]1CCCSC1 ZINC000433186134 377781743 /nfs/dbraw/zinc/78/17/43/377781743.db2.gz HQFXMHLPROYPAA-GFCCVEGCSA-N 0 3 256.415 2.116 20 30 CEEDHN Cc1cccc(C)c1OC[C@@H](O)CN[C@@H]1CC[C@H](C#N)C1 ZINC000567262209 377815213 /nfs/dbraw/zinc/81/52/13/377815213.db2.gz GPEFWOUTFLFTNN-XHSDSOJGSA-N 0 3 288.391 2.325 20 30 CEEDHN Cc1cc(C)cc([C@H](C)NC[C@@H](O)CN(C)CCC#N)c1 ZINC000566969140 377789094 /nfs/dbraw/zinc/78/90/94/377789094.db2.gz WAQWXPKYODVMEV-DOTOQJQBSA-N 0 3 289.423 2.160 20 30 CEEDHN CN(C[C@@H]1CCOC1)C(=O)C(C#N)CCc1ccccc1 ZINC000433360648 377790959 /nfs/dbraw/zinc/79/09/59/377790959.db2.gz FFVCRTKPRPFDQI-HOTGVXAUSA-N 0 3 286.375 2.254 20 30 CEEDHN C[C@H](O)C[C@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433478952 377791289 /nfs/dbraw/zinc/79/12/89/377791289.db2.gz UMRRIPIZJXFPTC-DZKIICNBSA-N 0 3 288.391 2.282 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cnc2ccc(F)cc2c1 ZINC000294032361 377877354 /nfs/dbraw/zinc/87/73/54/377877354.db2.gz RRPXILKPFFJMTD-UHFFFAOYSA-N 0 3 299.349 2.059 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437466269 377843700 /nfs/dbraw/zinc/84/37/00/377843700.db2.gz ISCCRGJREXJLPC-SNVBAGLBSA-N 0 3 273.292 2.245 20 30 CEEDHN C#CCNC(=O)CCN(CC(=C)C)Cc1ccccc1 ZINC000294185496 377932169 /nfs/dbraw/zinc/93/21/69/377932169.db2.gz QQOBFYMHAWBRNN-UHFFFAOYSA-N 0 3 270.376 2.204 20 30 CEEDHN C[C@@H](CNC(=O)NCC1CCC(C#N)CC1)N(C)C1CC1 ZINC000441013378 377933080 /nfs/dbraw/zinc/93/30/80/377933080.db2.gz UJOQSUVOZGLPQC-HSBZDZAISA-N 0 3 292.427 2.098 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(C(F)(F)F)n[nH]1 ZINC000441371253 377939957 /nfs/dbraw/zinc/93/99/57/377939957.db2.gz SRLGGJNAGOAUCO-JOYOIKCWSA-N 0 3 289.301 2.499 20 30 CEEDHN C#CCN(C)CCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000294912541 378027371 /nfs/dbraw/zinc/02/73/71/378027371.db2.gz GGPSVNCCDQILGR-CQSZACIVSA-N 0 3 260.381 2.306 20 30 CEEDHN C=CCc1cc(CN(C)[C@@H](CC)CO)cc(OC)c1O ZINC000295126424 378043324 /nfs/dbraw/zinc/04/33/24/378043324.db2.gz NZJQMQLEYCKYSO-AWEZNQCLSA-N 0 3 279.380 2.332 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1CC(=O)c1ccccc1 ZINC000443838121 378074468 /nfs/dbraw/zinc/07/44/68/378074468.db2.gz FGPKOTHTNOFNRC-GXTWGEPZSA-N 0 3 270.332 2.410 20 30 CEEDHN C=CC[C@@H]1N(CC(=O)NC[C@H]2CCCO2)CCCC1(C)C ZINC000444794311 378081845 /nfs/dbraw/zinc/08/18/45/378081845.db2.gz VBMYISANASHUQY-CABCVRRESA-N 0 3 294.439 2.348 20 30 CEEDHN CCN(CCC#N)C(=O)CN[C@H](CC(F)(F)F)C(C)C ZINC000445882758 378083221 /nfs/dbraw/zinc/08/32/21/378083221.db2.gz AELWCYHGCMUJKL-LLVKDONJSA-N 0 3 293.333 2.315 20 30 CEEDHN CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@H](O)C(F)(F)F ZINC000447580219 378120567 /nfs/dbraw/zinc/12/05/67/378120567.db2.gz NOURRDDUNWLOEK-ZNSHCXBVSA-N 0 3 264.291 2.360 20 30 CEEDHN CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@@H](O)C(F)(F)F ZINC000447580217 378120620 /nfs/dbraw/zinc/12/06/20/378120620.db2.gz NOURRDDUNWLOEK-CHWFTXMASA-N 0 3 264.291 2.360 20 30 CEEDHN CCN(CC)[C@@H](CNc1nccc(C#N)n1)c1ccco1 ZINC000295533336 378200024 /nfs/dbraw/zinc/20/00/24/378200024.db2.gz NOTNDCUHHGACTQ-ZDUSSCGKSA-N 0 3 285.351 2.436 20 30 CEEDHN C[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)CCN(C2CC2)C1 ZINC000295439266 378159501 /nfs/dbraw/zinc/15/95/01/378159501.db2.gz VNNZVCUUTVOHFC-AWEZNQCLSA-N 0 3 297.402 2.043 20 30 CEEDHN C=CCCCNC(=O)NC[C@H]1CCCCN1CC ZINC000447954908 378164521 /nfs/dbraw/zinc/16/45/21/378164521.db2.gz NDEIZLCYYPJBJB-CYBMUJFWSA-N 0 3 253.390 2.126 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@@](CO)(COC)C2)c1 ZINC000449705969 378221746 /nfs/dbraw/zinc/22/17/46/378221746.db2.gz ZSSUSEQUDDVOFX-QGZVFWFLSA-N 0 3 291.391 2.082 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000449737904 378224884 /nfs/dbraw/zinc/22/48/84/378224884.db2.gz VROJEQNQSKVZJZ-ZBEGNZNMSA-N 0 3 273.355 2.270 20 30 CEEDHN C=CCC1(C(=O)NC[C@H]2CCCN2CCOC)CCCC1 ZINC000449845040 378236669 /nfs/dbraw/zinc/23/66/69/378236669.db2.gz YKXPEQLBCNNJMA-OAHLLOKOSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CCC1(C(=O)NC[C@H](O)CN2CCCCC2)CCCC1 ZINC000450235223 378320518 /nfs/dbraw/zinc/32/05/18/378320518.db2.gz WSTZDXPPWWJVMZ-HNNXBMFYSA-N 0 3 294.439 2.086 20 30 CEEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)COCCOC ZINC000296149764 378433487 /nfs/dbraw/zinc/43/34/87/378433487.db2.gz XURUZERZNUVFGY-QGZVFWFLSA-N 0 3 293.407 2.089 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000450579439 378484800 /nfs/dbraw/zinc/48/48/00/378484800.db2.gz MGFHHTJLLSYACI-STQMWFEESA-N 0 3 282.453 2.237 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1c2ccccc2C[C@@H]1C ZINC000297177621 378668592 /nfs/dbraw/zinc/66/85/92/378668592.db2.gz BDOMUADRYKQWRC-AWEZNQCLSA-N 0 3 285.391 2.102 20 30 CEEDHN CC[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000298511558 378751154 /nfs/dbraw/zinc/75/11/54/378751154.db2.gz MLEGWMODMMIWAV-AWEZNQCLSA-N 0 3 287.407 2.495 20 30 CEEDHN N#Cc1cccc(CN[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000346799797 218017221 /nfs/dbraw/zinc/01/72/21/218017221.db2.gz ZTBWKNMFGDJOBO-QGZVFWFLSA-N 0 3 284.334 2.391 20 30 CEEDHN C=CC[C@H](C)NCc1c(Br)cnn1C ZINC000278488618 194008353 /nfs/dbraw/zinc/00/83/53/194008353.db2.gz LTDMAKQENUGOOJ-QMMMGPOBSA-N 0 3 258.163 2.237 20 30 CEEDHN C#CCN(CC)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000299163135 378922995 /nfs/dbraw/zinc/92/29/95/378922995.db2.gz GLPQDEZPYMFDLI-QGZVFWFLSA-N 0 3 299.418 2.316 20 30 CEEDHN C=C(C)CCNC(=O)NCCN(C)Cc1ccccc1 ZINC000454389858 379005449 /nfs/dbraw/zinc/00/54/49/379005449.db2.gz SUGWYLRDFRSSDY-UHFFFAOYSA-N 0 3 275.396 2.384 20 30 CEEDHN CC[C@@H](C)N(CCO)Cc1ccc(C#N)c(F)c1 ZINC000347451773 218238655 /nfs/dbraw/zinc/23/86/55/218238655.db2.gz IBIUYXLEZGGCGB-LLVKDONJSA-N 0 3 250.317 2.290 20 30 CEEDHN C[C@@H]1CN2CCC[C@H]2CN1c1nccc(C#N)c1Cl ZINC000300265047 379158791 /nfs/dbraw/zinc/15/87/91/379158791.db2.gz HFQGXXBKKUYCCY-PWSUYJOCSA-N 0 3 276.771 2.280 20 30 CEEDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1cccc(C#N)c1 ZINC000278822794 194171927 /nfs/dbraw/zinc/17/19/27/194171927.db2.gz IRCBWSNGPFOABC-HNNXBMFYSA-N 0 3 299.418 2.243 20 30 CEEDHN C=CCN1CCC(Nc2ccc3nccnc3n2)CC1 ZINC000301269762 379239542 /nfs/dbraw/zinc/23/95/42/379239542.db2.gz XEYJBERHDRDUDD-UHFFFAOYSA-N 0 3 269.352 2.087 20 30 CEEDHN C[C@@H]1CCN(CCOCCC#N)C[C@H]1C(=O)OC(C)(C)C ZINC000516178678 379263516 /nfs/dbraw/zinc/26/35/16/379263516.db2.gz CEOFXUDRVVAECM-ZIAGYGMSSA-N 0 3 296.411 2.216 20 30 CEEDHN Cc1ccc(N(C)C[C@@H]2CCCN(C)C2)nc1C#N ZINC000302691342 379425337 /nfs/dbraw/zinc/42/53/37/379425337.db2.gz ZPPGBILLVBGXLJ-CYBMUJFWSA-N 0 3 258.369 2.040 20 30 CEEDHN C=CCOc1ccc(CNC[C@@H](O)COC(C)C)cc1 ZINC000520799209 379504973 /nfs/dbraw/zinc/50/49/73/379504973.db2.gz GXPXLRATARGJEB-OAHLLOKOSA-N 0 3 279.380 2.127 20 30 CEEDHN CCC[C@H](C(=O)NCc1ccc(C#N)c(F)c1)N(C)C ZINC000456833774 379564913 /nfs/dbraw/zinc/56/49/13/379564913.db2.gz ILJWTRHBUOZHNG-CQSZACIVSA-N 0 3 277.343 2.044 20 30 CEEDHN C[C@H]1CCCN(CCOc2ccccc2C#N)[C@@H]1CO ZINC000305202745 379683797 /nfs/dbraw/zinc/68/37/97/379683797.db2.gz WQQLAADNMIAYOF-DZGCQCFKSA-N 0 3 274.364 2.030 20 30 CEEDHN C=CCN(CCOCCOC)Cc1ccc(OC)cc1 ZINC000267464706 190332556 /nfs/dbraw/zinc/33/25/56/190332556.db2.gz URBLDJIRGJCBBH-UHFFFAOYSA-N 0 3 279.380 2.346 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnc(C)[nH]1)C(C)C ZINC000267848662 190358759 /nfs/dbraw/zinc/35/87/59/190358759.db2.gz DUPCNIPRFRDLCA-OAHLLOKOSA-N 0 3 290.411 2.147 20 30 CEEDHN CC(C)[C@H]1CN(Cc2ccccc2)CCN1CC#N ZINC000528609555 380030154 /nfs/dbraw/zinc/03/01/54/380030154.db2.gz QIQRDYHQSPDALO-MRXNPFEDSA-N 0 3 257.381 2.352 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(CCOC)[C@H]1CCC[C@H]1C ZINC000487995512 380089934 /nfs/dbraw/zinc/08/99/34/380089934.db2.gz AUCISIWMELBODP-CVEARBPZSA-N 0 3 294.439 2.324 20 30 CEEDHN COCCSCCCN1CCC(C)(C#N)CC1 ZINC000488307984 380093065 /nfs/dbraw/zinc/09/30/65/380093065.db2.gz BXGDPVGTEBLJGV-UHFFFAOYSA-N 0 3 256.415 2.382 20 30 CEEDHN CCC(C#N)(CC)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000528811417 380108069 /nfs/dbraw/zinc/10/80/69/380108069.db2.gz UUFBKENVVYBKRC-RYUDHWBXSA-N 0 3 263.385 2.058 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NCc1ccc(C#N)s1 ZINC000268153588 190381897 /nfs/dbraw/zinc/38/18/97/190381897.db2.gz XJGXQWCLRVQNGO-QMTHXVAHSA-N 0 3 261.394 2.192 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000529431692 380175603 /nfs/dbraw/zinc/17/56/03/380175603.db2.gz HAZKQDQMDSHCCQ-ZDUSSCGKSA-N 0 3 277.412 2.259 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C/c1ccccc1C#N ZINC000268286730 190392599 /nfs/dbraw/zinc/39/25/99/190392599.db2.gz YKYXAJJEVJXRFA-GNHYNBLFSA-N 0 3 295.386 2.170 20 30 CEEDHN C[C@H](C(=O)N1CCC(CC#N)CC1)N1[C@H](C)CC[C@H]1C ZINC000541048456 380267683 /nfs/dbraw/zinc/26/76/83/380267683.db2.gz XYCMGXYYWMDDGK-MGPQQGTHSA-N 0 3 277.412 2.400 20 30 CEEDHN C[C@H](CNC(=O)C1(C#N)CC(C)C1)N1CCC(C)CC1 ZINC000532319757 380212633 /nfs/dbraw/zinc/21/26/33/380212633.db2.gz FNDWJEGEGVIQMZ-NPCAHTBFSA-N 0 3 277.412 2.163 20 30 CEEDHN C=CCC(CC=C)C(=O)NC[C@@H](C)N1CCCC1 ZINC000532343631 380214769 /nfs/dbraw/zinc/21/47/69/380214769.db2.gz HGWWAVOZONNVJF-CYBMUJFWSA-N 0 3 250.386 2.355 20 30 CEEDHN C[C@H](Cc1ccsc1)NCc1cnc2c(C#N)cnn2c1 ZINC000550828810 380630795 /nfs/dbraw/zinc/63/07/95/380630795.db2.gz NYROWQCPYOMMSA-LLVKDONJSA-N 0 3 297.387 2.383 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cncc(CC)c2)CC1 ZINC000279330864 194387776 /nfs/dbraw/zinc/38/77/76/194387776.db2.gz YCVAIXLJFJPBDS-UHFFFAOYSA-N 0 3 287.407 2.414 20 30 CEEDHN CN1C(=O)C[C@@H](NCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000494208691 381154002 /nfs/dbraw/zinc/15/40/02/381154002.db2.gz MSWDHQPANFZMJT-UKRRQHHQSA-N 0 3 293.317 2.130 20 30 CEEDHN C[C@H](NCCC(=O)Nc1sccc1C#N)c1cn[nH]c1 ZINC000494661325 381162439 /nfs/dbraw/zinc/16/24/39/381162439.db2.gz LSXIANYORMUIBA-VIFPVBQESA-N 0 3 289.364 2.022 20 30 CEEDHN CCOC(=O)N1CCC[C@H]([C@@H](C)NCC2(C#N)CC2)C1 ZINC000495543757 381174915 /nfs/dbraw/zinc/17/49/15/381174915.db2.gz RUGQMGUZGUOUAF-OLZOCXBDSA-N 0 3 279.384 2.137 20 30 CEEDHN C=CCC[C@@H](O)CN1CCCC[C@@H]1COC(=O)NCCC ZINC000495642825 381179070 /nfs/dbraw/zinc/17/90/70/381179070.db2.gz UZHPOHTXGKOCQA-HUUCEWRRSA-N 0 3 298.427 2.304 20 30 CEEDHN C=CCC[C@H](O)CN1CCCC[C@H]1COC(=O)NC(C)C ZINC000495687797 381182229 /nfs/dbraw/zinc/18/22/29/381182229.db2.gz LWJXOCBYGCLYMP-GJZGRUSLSA-N 0 3 298.427 2.303 20 30 CEEDHN CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)C(C)C#N ZINC000495764286 381183344 /nfs/dbraw/zinc/18/33/44/381183344.db2.gz PTMFWPKGNMDERY-OLZOCXBDSA-N 0 3 295.383 2.053 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495913644 381190467 /nfs/dbraw/zinc/19/04/67/381190467.db2.gz WSLXNUCJVFMVPQ-WOPDTQHZSA-N 0 3 295.383 2.050 20 30 CEEDHN C=CCCN1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496306083 381206770 /nfs/dbraw/zinc/20/67/70/381206770.db2.gz LTSRXNCPVZQSJD-CYBMUJFWSA-N 0 3 284.400 2.178 20 30 CEEDHN C=CCCCCCN1CCN2C(=O)OCC[C@@H]2C1 ZINC000496760501 381225968 /nfs/dbraw/zinc/22/59/68/381225968.db2.gz UVUBFJJXRLUTQI-CYBMUJFWSA-N 0 3 252.358 2.259 20 30 CEEDHN Cc1cc(C#N)cc(N2C(=O)NC(CC(F)(F)F)C2=O)c1 ZINC000334835353 207158468 /nfs/dbraw/zinc/15/84/68/207158468.db2.gz GFZBSBLLHXRLHK-SNVBAGLBSA-N 0 3 297.236 2.244 20 30 CEEDHN C=CCCCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000574758303 335045192 /nfs/dbraw/zinc/04/51/92/335045192.db2.gz CBSDSCAPHCBPIK-UHFFFAOYSA-N 0 3 290.367 2.468 20 30 CEEDHN COc1cnccc1N1CCN(CCC(C)(C)C#N)CC1 ZINC000347068741 533134488 /nfs/dbraw/zinc/13/44/88/533134488.db2.gz BYOGGPYURZNWOV-UHFFFAOYSA-N 0 3 288.395 2.152 20 30 CEEDHN CN(C)C1(CN(C)C(=O)c2ccc(C#N)s2)CCC1 ZINC000354178867 220591879 /nfs/dbraw/zinc/59/18/79/220591879.db2.gz AJNQWGXAAHCERO-UHFFFAOYSA-N 0 3 277.393 2.176 20 30 CEEDHN COc1cc(CNCC2=CCCOC2)ccc1C#N ZINC000288434292 197077998 /nfs/dbraw/zinc/07/79/98/197077998.db2.gz LEVUJJBGBMMSPX-UHFFFAOYSA-N 0 3 258.321 2.003 20 30 CEEDHN OCC[C@H]1CCC[C@@H]1NCC#Cc1ccc(F)cc1 ZINC000279177694 285266521 /nfs/dbraw/zinc/26/65/21/285266521.db2.gz CORMJWHJHSZERT-ZBFHGGJFSA-N 0 3 261.340 2.318 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCCC2(CC2)C1 ZINC000186958088 260024563 /nfs/dbraw/zinc/02/45/63/260024563.db2.gz WTXOUEFIMMTREI-AWEZNQCLSA-N 0 3 262.397 2.452 20 30 CEEDHN CC[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CCCO1 ZINC000281564889 195290826 /nfs/dbraw/zinc/29/08/26/195290826.db2.gz YOMVAVVYDAHJSG-CVEARBPZSA-N 0 3 274.364 2.093 20 30 CEEDHN COc1ccc(CNC(=O)C(C)C#N)cc1OC(F)F ZINC000347060523 533639272 /nfs/dbraw/zinc/63/92/72/533639272.db2.gz CXDNQVNZCLOBOI-QMMMGPOBSA-N 0 3 284.262 2.072 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)Nc1cccc(CNC)c1 ZINC000237108001 131004705 /nfs/dbraw/zinc/00/47/05/131004705.db2.gz ZALBZCCHDKFFJD-LBPRGKRZSA-N 0 3 262.353 2.326 20 30 CEEDHN C=CCCC1(C(=O)N(C)CCN2CCCC2)CC1 ZINC000355668609 394495254 /nfs/dbraw/zinc/49/52/54/394495254.db2.gz BMIHMLSIYQPYFD-UHFFFAOYSA-N 0 3 250.386 2.287 20 30 CEEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000305775917 394511684 /nfs/dbraw/zinc/51/16/84/394511684.db2.gz OBBOSPVURRSGIZ-AAEUAGOBSA-N 0 3 263.337 2.393 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000329906606 394593051 /nfs/dbraw/zinc/59/30/51/394593051.db2.gz KFRFXVCMMLSBJS-BBWFWOEESA-N 0 3 293.370 2.499 20 30 CEEDHN CC(C)CN1CCCN(c2ncccc2C#N)CC1 ZINC000064632884 394572909 /nfs/dbraw/zinc/57/29/09/394572909.db2.gz GIWYJQXIIBZHPG-UHFFFAOYSA-N 0 3 258.369 2.121 20 30 CEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(C#N)c2)C1 ZINC000246535650 394517888 /nfs/dbraw/zinc/51/78/88/394517888.db2.gz GGUCIFDVQJTNIO-HOTGVXAUSA-N 0 3 283.375 2.115 20 30 CEEDHN C[C@H]1CN(c2nccnc2C#N)CCN1C[C@@H]1CC=CCC1 ZINC000246807685 394521671 /nfs/dbraw/zinc/52/16/71/394521671.db2.gz QYMJZNODXAHDEB-LSDHHAIUSA-N 0 3 297.406 2.215 20 30 CEEDHN CC(=O)N(C[C@@H]1CCCN1CCC(C)(C)C#N)C1CC1 ZINC000328624579 394553683 /nfs/dbraw/zinc/55/36/83/394553683.db2.gz CNRONAXFAISLMD-HNNXBMFYSA-N 0 3 277.412 2.402 20 30 CEEDHN CCn1cc([C@H]2OCCC[C@@H]2N[C@H]2CC[C@@H](C#N)C2)cn1 ZINC000328601988 394554175 /nfs/dbraw/zinc/55/41/75/394554175.db2.gz GLFZBEAASKSFEK-SYAUCNOPSA-N 0 3 288.395 2.405 20 30 CEEDHN C[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)N1[C@H](C)CC[C@@H]1C ZINC000413589505 394592321 /nfs/dbraw/zinc/59/23/21/394592321.db2.gz XJOWYYKYLGCMBM-XQHKEYJVSA-N 0 3 265.401 2.302 20 30 CEEDHN COCCN1CCC(NC(=O)NCC2CCCCC2)CC1 ZINC000330433420 394609288 /nfs/dbraw/zinc/60/92/88/394609288.db2.gz NQTUJTZYRKNSFR-UHFFFAOYSA-N 0 3 297.443 2.181 20 30 CEEDHN C[C@@H]1[C@H](C)OCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000330453412 394611663 /nfs/dbraw/zinc/61/16/63/394611663.db2.gz LIQUNSLMVVWSGQ-YCPHGPKFSA-N 0 3 286.375 2.395 20 30 CEEDHN CC(C#N)C(=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000334244966 394668146 /nfs/dbraw/zinc/66/81/46/394668146.db2.gz RKWZMUOKAJLDEL-STQMWFEESA-N 0 3 289.354 2.191 20 30 CEEDHN C[C@@H](C(=O)NCc1ccc(C#N)s1)N1[C@H](C)CC[C@H]1C ZINC000421921940 394639490 /nfs/dbraw/zinc/63/94/90/394639490.db2.gz QRAWMPVXWUGQDJ-UTUOFQBUSA-N 0 3 291.420 2.497 20 30 CEEDHN N#Cc1ccc(F)c(CN2CCN3CCCC[C@@H]3C2)c1 ZINC000093939096 394669873 /nfs/dbraw/zinc/66/98/73/394669873.db2.gz NDWQFNCNIYLNMU-OAHLLOKOSA-N 0 3 273.355 2.367 20 30 CEEDHN C=CCn1c(SC[C@@H](C)N(C)C)nnc1C1CC1 ZINC000358865683 394730345 /nfs/dbraw/zinc/73/03/45/394730345.db2.gz YRLUCYSUBUXCNH-SNVBAGLBSA-N 0 3 266.414 2.384 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000359059531 394739134 /nfs/dbraw/zinc/73/91/34/394739134.db2.gz FFPSEDPYKMVGDH-UONOGXRCSA-N 0 3 280.412 2.101 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(Br)c(F)c1 ZINC000335149474 394744061 /nfs/dbraw/zinc/74/40/61/394744061.db2.gz QOXHEIYEVKDABK-SSDOTTSWSA-N 0 3 285.116 2.364 20 30 CEEDHN N#CC1(C(=O)N2CCCN(CC3CCC3)CC2)CCC1 ZINC000334278294 394671403 /nfs/dbraw/zinc/67/14/03/394671403.db2.gz DVUZFNNWPQEUAF-UHFFFAOYSA-N 0 3 275.396 2.015 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1CCCC12CCN(C)CC2 ZINC000334512232 394694838 /nfs/dbraw/zinc/69/48/38/394694838.db2.gz PXGIOIADWZOCJK-UHFFFAOYSA-N 0 3 279.428 2.468 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000358309493 394717494 /nfs/dbraw/zinc/71/74/94/394717494.db2.gz LAIKLFVROBPTON-XVKPBYJWSA-N 0 3 287.146 2.303 20 30 CEEDHN CC(C)c1nc(C2CCN(C(=O)C(C)C#N)CC2)no1 ZINC000358504850 394723991 /nfs/dbraw/zinc/72/39/91/394723991.db2.gz IYGFZCUKDFSGRF-SNVBAGLBSA-N 0 3 276.340 2.059 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2Cc3ccccc32)CC1 ZINC000359408213 394752251 /nfs/dbraw/zinc/75/22/51/394752251.db2.gz KEDMCQYIOHRZPM-QGZVFWFLSA-N 0 3 284.403 2.483 20 30 CEEDHN CC(C)[C@@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000117347265 394758521 /nfs/dbraw/zinc/75/85/21/394758521.db2.gz VEIINSGTNURCEV-HOCLYGCPSA-N 0 3 277.412 2.305 20 30 CEEDHN C=CCC[C@H](O)CN[C@H](CO)c1ccc(CC)cc1 ZINC000359630952 394766131 /nfs/dbraw/zinc/76/61/31/394766131.db2.gz YPXVFEGHOVRICZ-JKSUJKDBSA-N 0 3 263.381 2.199 20 30 CEEDHN CN1CC[C@@H]2CCN(c3ccc(Cl)c(C#N)n3)[C@@H]2C1 ZINC000272168125 394767641 /nfs/dbraw/zinc/76/76/41/394767641.db2.gz HIFYIRITUKJOJP-ZWNOBZJWSA-N 0 3 276.771 2.137 20 30 CEEDHN CC[C@@H](C(=O)N(C[C@H](C)C#N)C1CC1)N(CC)CC ZINC000359688712 394772550 /nfs/dbraw/zinc/77/25/50/394772550.db2.gz ZRDHXHQNSAJGSX-OCCSQVGLSA-N 0 3 265.401 2.257 20 30 CEEDHN OC[C@H](NCC#Cc1cccc(Cl)c1)C1CCOCC1 ZINC000359874553 394779082 /nfs/dbraw/zinc/77/90/82/394779082.db2.gz LLBKMBZAUMVWDL-INIZCTEOSA-N 0 3 293.794 2.069 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)C12CCCN1CCC2 ZINC000335642397 394784504 /nfs/dbraw/zinc/78/45/04/394784504.db2.gz ZLEIAUZGXJZCSU-UHFFFAOYSA-N 0 3 269.348 2.434 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000360169684 394791989 /nfs/dbraw/zinc/79/19/89/394791989.db2.gz KERZXLLDHKFVQC-CQSZACIVSA-N 0 3 297.402 2.428 20 30 CEEDHN CC#CCCN1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC000360437885 394801321 /nfs/dbraw/zinc/80/13/21/394801321.db2.gz ORMWHURDWYSCJW-CABCVRRESA-N 0 3 250.386 2.121 20 30 CEEDHN C=C1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000335839418 394802971 /nfs/dbraw/zinc/80/29/71/394802971.db2.gz VRXXZDAREODLPT-UHFFFAOYSA-N 0 3 294.420 2.089 20 30 CEEDHN CN1CC[C@@H]2CN(c3cc(Cl)ccc3C#N)C[C@@H]21 ZINC000335217196 394749795 /nfs/dbraw/zinc/74/97/95/394749795.db2.gz VETLLFDEVWAQHL-RISCZKNCSA-N 0 3 261.756 2.352 20 30 CEEDHN CN1CC[C@]2(CCN(c3nccc(C#N)c3Cl)C2)C1 ZINC000336815618 394878961 /nfs/dbraw/zinc/87/89/61/394878961.db2.gz IHZLBIIJHHFAFA-AWEZNQCLSA-N 0 3 276.771 2.139 20 30 CEEDHN C#CCN(C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000363597829 394881154 /nfs/dbraw/zinc/88/11/54/394881154.db2.gz RTCXWFGGRSLNTM-UHFFFAOYSA-N 0 3 280.375 2.164 20 30 CEEDHN CC1CCN(CCNC(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000130414536 394887475 /nfs/dbraw/zinc/88/74/75/394887475.db2.gz LRNSJTDNKPAWAO-AATRIKPKSA-N 0 3 297.402 2.420 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@H]2C(F)F)CC1 ZINC000338118103 394906039 /nfs/dbraw/zinc/90/60/39/394906039.db2.gz MAYYLPUASBLVLT-NEPJUHHUSA-N 0 3 272.339 2.044 20 30 CEEDHN CN(CC(=O)NC1(C#N)CCCCC1)CC(C)(C)C ZINC000339251332 394954701 /nfs/dbraw/zinc/95/47/01/394954701.db2.gz RAROPTSBWLLXEY-UHFFFAOYSA-N 0 3 265.401 2.307 20 30 CEEDHN CN(C)c1noc([C@H]2CCCN(CCC(C)(C)C#N)C2)n1 ZINC000338310562 394913408 /nfs/dbraw/zinc/91/34/08/394913408.db2.gz BBTBDHFMCJGLQV-LBPRGKRZSA-N 0 3 291.399 2.255 20 30 CEEDHN N#CCCCN1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000338413532 394919104 /nfs/dbraw/zinc/91/91/04/394919104.db2.gz WAQNVUUGUIOQOC-UHFFFAOYSA-N 0 3 289.354 2.324 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CSC2(C)C)CC1 ZINC000338460889 394920211 /nfs/dbraw/zinc/92/02/11/394920211.db2.gz SJKDNTWKUNHXML-CYBMUJFWSA-N 0 3 297.468 2.220 20 30 CEEDHN CC(C)N(CCOCCC#N)CCc1nccs1 ZINC000339051957 394939096 /nfs/dbraw/zinc/93/90/96/394939096.db2.gz HGPAEOOTMUHILK-UHFFFAOYSA-N 0 3 267.398 2.326 20 30 CEEDHN C#CC[C@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC000283973110 394939296 /nfs/dbraw/zinc/93/92/96/394939296.db2.gz FJJGULUUCDHVFF-HOCLYGCPSA-N 0 3 291.416 2.165 20 30 CEEDHN CCC[C@@H]1CN([C@H]2CC[C@H](C#N)C2)CCN1CCOC ZINC000339059743 394939220 /nfs/dbraw/zinc/93/92/20/394939220.db2.gz IULGHIKJZMCTIF-HRCADAONSA-N 0 3 279.428 2.111 20 30 CEEDHN C#CCN(C[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000284077054 394940320 /nfs/dbraw/zinc/94/03/20/394940320.db2.gz LDGIRNSUDLYSOW-IBGZPJMESA-N 0 3 298.430 2.375 20 30 CEEDHN CCN(CCC#N)C(=O)CN1C[C@H]2CCCCCC[C@H]21 ZINC000366247532 394941109 /nfs/dbraw/zinc/94/11/09/394941109.db2.gz QFQQMAYODWBVPS-HUUCEWRRSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCOCCN1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000339094750 394942988 /nfs/dbraw/zinc/94/29/88/394942988.db2.gz OFXKOFKDIMKJSY-ZDUSSCGKSA-N 0 3 269.385 2.243 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)Nc1cccc(CNC)c1 ZINC000415935137 394983283 /nfs/dbraw/zinc/98/32/83/394983283.db2.gz SQQLYBGYEMTHDS-LBPRGKRZSA-N 0 3 260.341 2.220 20 30 CEEDHN CNCc1cccc(NC(=O)NCC2(CC#N)CC2)c1 ZINC000415953275 394986708 /nfs/dbraw/zinc/98/67/08/394986708.db2.gz FJFJJTDXDZVVNI-UHFFFAOYSA-N 0 3 272.352 2.221 20 30 CEEDHN Cc1ccc(C#N)c(N2C[C@H](N3CCCC3)C[C@H]2C)n1 ZINC000286276402 395018249 /nfs/dbraw/zinc/01/82/49/395018249.db2.gz HSIDKYIMTWQMFE-UKRRQHHQSA-N 0 3 270.380 2.325 20 30 CEEDHN C#CC(C)(C)N(C)C[C@H](O)COc1ccc(OCC)cc1 ZINC000286255396 395018535 /nfs/dbraw/zinc/01/85/35/395018535.db2.gz SKJOOBMIKGLUFL-AWEZNQCLSA-N 0 3 291.391 2.169 20 30 CEEDHN C#CCSCCN[C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000286267993 395018713 /nfs/dbraw/zinc/01/87/13/395018713.db2.gz VKECTIOOARKEET-NSHDSACASA-N 0 3 290.388 2.035 20 30 CEEDHN C=CCN1CCC(NC(=O)c2nc3c(s2)CCC3)CC1 ZINC000416150916 395023287 /nfs/dbraw/zinc/02/32/87/395023287.db2.gz MZAWNJMKTLQZAV-UHFFFAOYSA-N 0 3 291.420 2.012 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(C)[C@H]1CCN(C2CC2)C1)OCC ZINC000339372207 394957547 /nfs/dbraw/zinc/95/75/47/394957547.db2.gz XCNAYRNKHULGGT-GJZGRUSLSA-N 0 3 280.412 2.053 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21)OCC ZINC000339512519 394962781 /nfs/dbraw/zinc/96/27/81/394962781.db2.gz BAIOKRXCJOVWFF-OAGGEKHMSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@](CO)(C(C)C)C1 ZINC000339705168 394968421 /nfs/dbraw/zinc/96/84/21/394968421.db2.gz FPCNSZIWTDWMHN-KRWDZBQOSA-N 0 3 296.455 2.142 20 30 CEEDHN C#Cc1ccc(CNC[C@H]2CN3CCCC[C@H]3CO2)cc1 ZINC000368028287 394975570 /nfs/dbraw/zinc/97/55/70/394975570.db2.gz CMFMDSHPMHDACD-ROUUACIJSA-N 0 3 284.403 2.011 20 30 CEEDHN C=CCSCCNC(=O)N(CCN(C)C)CC(C)C ZINC000339992665 394976743 /nfs/dbraw/zinc/97/67/43/394976743.db2.gz YIEQWAVYDIXQJI-UHFFFAOYSA-N 0 3 287.473 2.135 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cscc2C#N)CC1 ZINC000339999993 394976809 /nfs/dbraw/zinc/97/68/09/394976809.db2.gz SVLQYTUBSRWIML-UHFFFAOYSA-N 0 3 289.404 2.390 20 30 CEEDHN Cc1cc(C)c(C#N)c(N2CCC[C@H]3CN(C)C[C@H]32)n1 ZINC000425288228 395056596 /nfs/dbraw/zinc/05/65/96/395056596.db2.gz UCXFXBRFUZNPQK-DZGCQCFKSA-N 0 3 270.380 2.101 20 30 CEEDHN COC(=O)C1CCN(CC(C)(C)CCC#N)CC1 ZINC000159241594 395057801 /nfs/dbraw/zinc/05/78/01/395057801.db2.gz ZSVPGVIAWCDFAJ-UHFFFAOYSA-N 0 3 252.358 2.201 20 30 CEEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@](O)(C3CC3)C2)cc1 ZINC000373322743 395058790 /nfs/dbraw/zinc/05/87/90/395058790.db2.gz JOORWPSKRGTPLB-SUMWQHHRSA-N 0 3 286.375 2.324 20 30 CEEDHN C[C@H]1[C@H](NC(=O)C2(C#N)CCC2)CCN1Cc1ccccc1 ZINC000288432459 395060179 /nfs/dbraw/zinc/06/01/79/395060179.db2.gz XYDJNORTVHQVSI-GOEBONIOSA-N 0 3 297.402 2.459 20 30 CEEDHN CC(C)[C@@H]1CN(C)CCN1Cc1ccc(F)cc1C#N ZINC000425490377 395060476 /nfs/dbraw/zinc/06/04/76/395060476.db2.gz YSQHWQSMACXVFJ-INIZCTEOSA-N 0 3 275.371 2.469 20 30 CEEDHN C[C@H]1CN(CCCSCC#N)C[C@@H](C2CC2)O1 ZINC000373431498 395060688 /nfs/dbraw/zinc/06/06/88/395060688.db2.gz LTKHVVVWDHHSMV-AAEUAGOBSA-N 0 3 254.399 2.133 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCN1CCCOCC1 ZINC000425534376 395061269 /nfs/dbraw/zinc/06/12/69/395061269.db2.gz LXTUAUZTBACELU-HNNXBMFYSA-N 0 3 287.407 2.273 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000345776854 395076526 /nfs/dbraw/zinc/07/65/26/395076526.db2.gz JZTHCPNMNIDXOO-SECBINFHSA-N 0 3 286.253 2.404 20 30 CEEDHN CC(C#N)C(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000345795121 395077575 /nfs/dbraw/zinc/07/75/75/395077575.db2.gz VJRKVRPTDXSGSX-SNVBAGLBSA-N 0 3 293.754 2.335 20 30 CEEDHN C=CCOc1ccc(CN[C@H]2CCC[C@@H]2C(=O)NC)cc1 ZINC000345822523 395079090 /nfs/dbraw/zinc/07/90/90/395079090.db2.gz VHNINSAFGHVUME-HOTGVXAUSA-N 0 3 288.391 2.256 20 30 CEEDHN CC(C)[C@@H](CNC(=O)C(C)C#N)Nc1ccccc1 ZINC000345855301 395080542 /nfs/dbraw/zinc/08/05/42/395080542.db2.gz WZXVBWRHXWXBCG-TZMCWYRMSA-N 0 3 259.353 2.399 20 30 CEEDHN C#C[C@@H](NCc1cnc2c(c1)c(C)nn2C)C(C)C ZINC000289630658 395081948 /nfs/dbraw/zinc/08/19/48/395081948.db2.gz WXJJUUFDFVXVAQ-CQSZACIVSA-N 0 3 256.353 2.024 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000289643052 395082523 /nfs/dbraw/zinc/08/25/23/395082523.db2.gz FUHUXBPJIPWTIO-ONGXEEELSA-N 0 3 257.280 2.486 20 30 CEEDHN C#CCCCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289747438 395085585 /nfs/dbraw/zinc/08/55/85/395085585.db2.gz IXOVTEASTRTSDN-HUUCEWRRSA-N 0 3 285.343 2.211 20 30 CEEDHN C=C[C@H](CO)N[C@H](C)Cc1ccccc1SC ZINC000289811203 395088380 /nfs/dbraw/zinc/08/83/80/395088380.db2.gz ONRNZHYKYZBZGW-DGCLKSJQSA-N 0 3 251.395 2.476 20 30 CEEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OC)c(COC)c1 ZINC000289857707 395089849 /nfs/dbraw/zinc/08/98/49/395089849.db2.gz QUMFJNGUPZIXIL-BXUZGUMPSA-N 0 3 265.353 2.039 20 30 CEEDHN C#Cc1ccc(CNCCC(=O)OC(C)(C)C)cc1 ZINC000290436815 395103005 /nfs/dbraw/zinc/10/30/05/395103005.db2.gz SBAFHQUSNVKWMM-UHFFFAOYSA-N 0 3 259.349 2.489 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)C[C@@](C)(O)C=C)C(C)C ZINC000290155395 395094995 /nfs/dbraw/zinc/09/49/95/395094995.db2.gz OBNLRSDEGMZMJC-WBVHZDCISA-N 0 3 294.439 2.128 20 30 CEEDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000346377712 395097658 /nfs/dbraw/zinc/09/76/58/395097658.db2.gz FASNULQULHYBDY-STQMWFEESA-N 0 3 265.401 2.305 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C(C)C)N(C)C ZINC000287326602 395038007 /nfs/dbraw/zinc/03/80/07/395038007.db2.gz OCIFGBMRCWFWFE-IAGOWNOFSA-N 0 3 286.419 2.323 20 30 CEEDHN C=C(CNC(=O)NC[C@H]1CCCN1C)c1ccccc1 ZINC000287574633 395043667 /nfs/dbraw/zinc/04/36/67/395043667.db2.gz QMZNEAIDRIWGTI-OAHLLOKOSA-N 0 3 273.380 2.093 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000376326015 395116144 /nfs/dbraw/zinc/11/61/44/395116144.db2.gz VGEWYVOFOITTSJ-NVXWUHKLSA-N 0 3 299.418 2.220 20 30 CEEDHN C#CCC(C)(C)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000376407109 395119797 /nfs/dbraw/zinc/11/97/97/395119797.db2.gz KSPGCFWZZVZXKD-KGLIPLIRSA-N 0 3 262.397 2.121 20 30 CEEDHN CO[C@@H](C)[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000427598849 395123864 /nfs/dbraw/zinc/12/38/64/395123864.db2.gz JKDGRCYQNHELOK-VNHYZAJKSA-N 0 3 274.364 2.299 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cccc(CC#N)c1 ZINC000172605145 395105222 /nfs/dbraw/zinc/10/52/22/395105222.db2.gz FMIMITYXGCDBKJ-CJNGLKHVSA-N 0 3 285.391 2.165 20 30 CEEDHN C[C@@H](C#N)Oc1ccc(CN2CC([C@@H]3CCOC3)C2)cc1 ZINC000376021474 395107847 /nfs/dbraw/zinc/10/78/47/395107847.db2.gz MJFLGSGRKKRSTM-DZGCQCFKSA-N 0 3 286.375 2.446 20 30 CEEDHN C[C@@H](CO)N(C)Cc1cccc(OCCCC#N)c1 ZINC000349297326 395163623 /nfs/dbraw/zinc/16/36/23/395163623.db2.gz NAEOJADNAHHONF-ZDUSSCGKSA-N 0 3 262.353 2.182 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@H](c2noc(CC)n2)C1 ZINC000378158331 395152481 /nfs/dbraw/zinc/15/24/81/395152481.db2.gz CYJCNWJDOIVHSN-STQMWFEESA-N 0 3 279.384 2.139 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@H](C)[C@H](O)C2)cc1 ZINC000349364936 395166873 /nfs/dbraw/zinc/16/68/73/395166873.db2.gz HGMCBRNDPVGAER-XJKSGUPXSA-N 0 3 261.365 2.454 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1C=C[C@H](CO)C1)CC2 ZINC000515492948 395175844 /nfs/dbraw/zinc/17/58/44/395175844.db2.gz DNLLAEDCYPCNGU-BJJXKVORSA-N 0 3 254.333 2.072 20 30 CEEDHN C=CC[C@@H](CO)CNCc1ccc([N+](=O)[O-])cc1C ZINC000350049000 395179805 /nfs/dbraw/zinc/17/98/05/395179805.db2.gz NUQOIMCUCKFVCF-GFCCVEGCSA-N 0 3 264.325 2.177 20 30 CEEDHN N#CCCn1cc(CN[C@H]2CCOC2)c(-c2ccccc2)n1 ZINC000181991728 395229229 /nfs/dbraw/zinc/22/92/29/395229229.db2.gz VCNBMCHJONTOMB-INIZCTEOSA-N 0 3 296.374 2.342 20 30 CEEDHN C=CCOCCN(C)CCOc1ccc(OC)cc1 ZINC000293406248 395232875 /nfs/dbraw/zinc/23/28/75/395232875.db2.gz HVXNAOVRNUUNCH-UHFFFAOYSA-N 0 3 265.353 2.208 20 30 CEEDHN C#CCNC(=O)CCN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000293456993 395235503 /nfs/dbraw/zinc/23/55/03/395235503.db2.gz KZMSCMKRCAJZRD-GFCCVEGCSA-N 0 3 278.783 2.472 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000352439878 395253654 /nfs/dbraw/zinc/25/36/54/395253654.db2.gz UWBNJPDLZKPFIC-RDJZCZTQSA-N 0 3 294.439 2.302 20 30 CEEDHN Cc1nc(N(C)CCN(C)C2CC2)c(Cl)cc1C#N ZINC000292691776 395203535 /nfs/dbraw/zinc/20/35/35/395203535.db2.gz ROZAKGZPNGYZEZ-UHFFFAOYSA-N 0 3 278.787 2.446 20 30 CEEDHN C[C@@H](O)[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000183205254 395252653 /nfs/dbraw/zinc/25/26/53/395252653.db2.gz DBKKXOQRPOHBCR-TZMCWYRMSA-N 0 3 263.768 2.394 20 30 CEEDHN C[C@@H](CNC[C@@H](C#N)CCC#N)N1CCC[C@@H](C)C1 ZINC000519772007 395222263 /nfs/dbraw/zinc/22/22/63/395222263.db2.gz RINXZYAKDRLLDA-QLFBSQMISA-N 0 3 262.401 2.140 20 30 CEEDHN COc1ccc(CCNCc2cc(C#N)cs2)cn1 ZINC000527793017 395281086 /nfs/dbraw/zinc/28/10/86/395281086.db2.gz HAVQQNXIUSAUEZ-UHFFFAOYSA-N 0 3 273.361 2.356 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000352946551 395281258 /nfs/dbraw/zinc/28/12/58/395281258.db2.gz JFICTMRHBRURPG-VXGBXAGGSA-N 0 3 281.318 2.093 20 30 CEEDHN C=CCN(CC1CCCCC1)[C@@H]1CCN(C)C1=O ZINC000411268096 395324936 /nfs/dbraw/zinc/32/49/36/395324936.db2.gz ZVMIVMDCDYQDHD-CQSZACIVSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000353004011 395283201 /nfs/dbraw/zinc/28/32/01/395283201.db2.gz BAVOJHYSNKKSNA-CORIIIEPSA-N 0 3 250.386 2.188 20 30 CEEDHN COCC[C@@H](COC)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353638616 395304533 /nfs/dbraw/zinc/30/45/33/395304533.db2.gz BEQRKTUEINWISG-HOCLYGCPSA-N 0 3 274.364 2.187 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@H](C)c1cccc(F)c1 ZINC000293882561 395256197 /nfs/dbraw/zinc/25/61/97/395256197.db2.gz CVIYZUKGZIUQOG-AWEZNQCLSA-N 0 3 290.382 2.391 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1c(C)cc(C)nc1Cl ZINC000293921125 395257492 /nfs/dbraw/zinc/25/74/92/395257492.db2.gz GWCHZMZSFYPWMO-UHFFFAOYSA-N 0 3 293.798 2.037 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1oc2ccccc2c1C ZINC000293905821 395257878 /nfs/dbraw/zinc/25/78/78/395257878.db2.gz FRGIGKZHJZSGNB-UHFFFAOYSA-N 0 3 284.359 2.426 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](SC)c1ccccc1 ZINC000293935764 395259236 /nfs/dbraw/zinc/25/92/36/395259236.db2.gz IJWBLNRHFBEFAN-OAHLLOKOSA-N 0 3 290.432 2.162 20 30 CEEDHN C(#Cc1ccccc1)CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000192021051 395369533 /nfs/dbraw/zinc/36/95/33/395369533.db2.gz YBJMXOOQZDYKPK-LJQANCHMSA-N 0 3 298.430 2.082 20 30 CEEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)C(=O)N1CCCC[C@H]1C ZINC000442786426 395394968 /nfs/dbraw/zinc/39/49/68/395394968.db2.gz ZIXAWMMJMQFNEC-ZOBORPQBSA-N 0 3 263.385 2.058 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000297187871 395335541 /nfs/dbraw/zinc/33/55/41/395335541.db2.gz BTMXLRXDGZFTFH-QGZVFWFLSA-N 0 3 299.418 2.270 20 30 CEEDHN OC[C@@H](NCC#Cc1ccc(Cl)cc1)[C@@H]1CCCOC1 ZINC000411996077 395345153 /nfs/dbraw/zinc/34/51/53/395345153.db2.gz RHMDQUAYLZEVLY-GDBMZVCRSA-N 0 3 293.794 2.069 20 30 CEEDHN N#Cc1ccc([C@@H](NCC23CCC(CC2)C3)C(N)=O)cc1 ZINC000533795300 395462722 /nfs/dbraw/zinc/46/27/22/395462722.db2.gz XRCMBSFCKHVABY-YAJUMTOWSA-N 0 3 283.375 2.255 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)CC(C)(C)OC ZINC000534309688 395463083 /nfs/dbraw/zinc/46/30/83/395463083.db2.gz OWCWRIVYSUHSCM-UHFFFAOYSA-N 0 3 262.353 2.424 20 30 CEEDHN C[C@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)[C@H]1C ZINC000566245739 395507577 /nfs/dbraw/zinc/50/75/77/395507577.db2.gz RCYADTCZGUVJKA-RYUDHWBXSA-N 0 3 269.352 2.221 20 30 CEEDHN CC[C@H](C)[C@H](CNCc1cnc2ccc(C#N)cn12)OC ZINC000449403643 395546735 /nfs/dbraw/zinc/54/67/35/395546735.db2.gz XGBPRBRAMZTWBU-WFASDCNBSA-N 0 3 286.379 2.357 20 30 CEEDHN N#Cc1ccc(NC(=O)CN[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000573779453 395617049 /nfs/dbraw/zinc/61/70/49/395617049.db2.gz IUSMJENTFHFJKR-VHDGCEQUSA-N 0 3 269.348 2.275 20 30 CEEDHN C=CCn1cccc1C(=O)N1CCCC[C@@H]1CN(C)C ZINC000568345563 395554899 /nfs/dbraw/zinc/55/48/99/395554899.db2.gz UKJGPVDZSIFQQQ-CQSZACIVSA-N 0 3 275.396 2.230 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@@H]1CCN(C2CCCC2)C1 ZINC000568382251 395556788 /nfs/dbraw/zinc/55/67/88/395556788.db2.gz UQLNRDNMUVPLLA-ZIAGYGMSSA-N 0 3 260.385 2.036 20 30 CEEDHN C[C@@]1(NC(=O)CCCC#N)CCN(Cc2ccccc2)C1 ZINC000568637855 395564078 /nfs/dbraw/zinc/56/40/78/395564078.db2.gz DOOUZNKRAZLBFV-QGZVFWFLSA-N 0 3 285.391 2.461 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000570688207 395583086 /nfs/dbraw/zinc/58/30/86/395583086.db2.gz XDRLOGHYVIMRAR-OUAUKWLOSA-N 0 3 264.291 2.171 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000571909978 395585078 /nfs/dbraw/zinc/58/50/78/395585078.db2.gz JVHNPUGQNZQWES-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)NC2(CN(C)C)CCC2)c1 ZINC000455950403 395632169 /nfs/dbraw/zinc/63/21/69/395632169.db2.gz GCGLBYBQMXRLAH-UHFFFAOYSA-N 0 3 286.379 2.473 20 30 CEEDHN N#Cc1ccccc1OCCN1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459727898 395666633 /nfs/dbraw/zinc/66/66/33/395666633.db2.gz RIKXDPXQKDYKRB-HZPDHXFCSA-N 0 3 298.386 2.438 20 30 CEEDHN Cc1cc(CN2CCC[C@H](CCC(N)=O)C2)ccc1C#N ZINC000487912741 395667645 /nfs/dbraw/zinc/66/76/45/395667645.db2.gz GXHUMNOPGLFJAF-CQSZACIVSA-N 0 3 285.391 2.344 20 30 CEEDHN Cc1cc(CN2CCN(C3CCOCC3)CC2)ccc1C#N ZINC000488468015 395668231 /nfs/dbraw/zinc/66/82/31/395668231.db2.gz XUNSTNCRLPSNSK-UHFFFAOYSA-N 0 3 299.418 2.163 20 30 CEEDHN C=CCC[C@@H](O)CN[C@H](c1cccnc1)C(C)(C)CO ZINC000647953210 395783139 /nfs/dbraw/zinc/78/31/39/395783139.db2.gz YAYUNKWSVPUEKS-HUUCEWRRSA-N 0 3 278.396 2.058 20 30 CEEDHN C=C(CC)CNCc1cccc(NS(C)(=O)=O)c1 ZINC000648840073 395997119 /nfs/dbraw/zinc/99/71/19/395997119.db2.gz QBPMYVDUUVKQRK-UHFFFAOYSA-N 0 3 268.382 2.114 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCCN(Cc2ccccc2C)CC1 ZINC000649235935 396098241 /nfs/dbraw/zinc/09/82/41/396098241.db2.gz CKBXXTGCOODQTC-GOSISDBHSA-N 0 3 288.435 2.440 20 30 CEEDHN N#Cc1ccc(NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000094591820 400245925 /nfs/dbraw/zinc/24/59/25/400245925.db2.gz URHIBLJXIHWOIF-UHFFFAOYSA-N 0 3 274.324 2.364 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000359911671 155165226 /nfs/dbraw/zinc/16/52/26/155165226.db2.gz MCYZJVXWWVDFIB-CJNGLKHVSA-N 0 3 285.391 2.262 20 30 CEEDHN C[C@@H](C(=O)N[C@H]1CCN(C2CC2)C1)c1cccc(C#N)c1 ZINC000360033272 155199689 /nfs/dbraw/zinc/19/96/89/155199689.db2.gz OQVOSLYFXWRXHV-DOMZBBRYSA-N 0 3 283.375 2.015 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)c1nc2c(cc1C#N)CCC2 ZINC000360335307 155274482 /nfs/dbraw/zinc/27/44/82/155274482.db2.gz MIZQGMODDJPKOE-CYBMUJFWSA-N 0 3 284.407 2.220 20 30 CEEDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc(F)c1C#N ZINC000189537717 153098942 /nfs/dbraw/zinc/09/89/42/153098942.db2.gz FHTFQTRGIAKAAC-VXGBXAGGSA-N 0 3 287.338 2.006 20 30 CEEDHN COc1ccccc1O[C@H](C)CNCc1cc(C#N)n(C)c1 ZINC000191225816 153165288 /nfs/dbraw/zinc/16/52/88/153165288.db2.gz ZCNZOZLVGIHAOC-CYBMUJFWSA-N 0 3 299.374 2.462 20 30 CEEDHN C[C@@H](N[C@H](CO)C1CCOCC1)c1ccc(C#N)cc1F ZINC000360837065 155383852 /nfs/dbraw/zinc/38/38/52/155383852.db2.gz VETWICXKVZPQPK-BDJLRTHQSA-N 0 3 292.354 2.135 20 30 CEEDHN COC[C@H](Cc1ccccc1)NCc1cc(C#N)n(C)c1 ZINC000359749405 155126292 /nfs/dbraw/zinc/12/62/92/155126292.db2.gz VTSOIWXBHXBYPU-INIZCTEOSA-N 0 3 283.375 2.244 20 30 CEEDHN CO[C@@H]1[C@H](C)[C@H](NCc2ccc(C#N)o2)C12CCC2 ZINC000368033421 156273565 /nfs/dbraw/zinc/27/35/65/156273565.db2.gz GGGUUCWGWWAHIR-DDTOSNHZSA-N 0 3 260.337 2.444 20 30 CEEDHN CN(C)CCSCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000371312276 156645481 /nfs/dbraw/zinc/64/54/81/156645481.db2.gz BETZWUGYDFXZMB-UHFFFAOYSA-N 0 3 288.376 2.403 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)N[C@]1(C)CCO[C@H]1C ZINC000329767229 287006318 /nfs/dbraw/zinc/00/63/18/287006318.db2.gz ZEWQPNYODDEFJU-SQWLQELKSA-N 0 3 297.443 2.322 20 30 CEEDHN Cn1cc(N2CCC[C@H](NCc3cccc(C#N)c3)C2)cn1 ZINC000174519541 165106737 /nfs/dbraw/zinc/10/67/37/165106737.db2.gz QVNJTRNOHGEXGG-INIZCTEOSA-N 0 3 295.390 2.050 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](C)c1ccccc1 ZINC000007016103 170262390 /nfs/dbraw/zinc/26/23/90/170262390.db2.gz BFKBBKXLVXEGOB-CJNGLKHVSA-N 0 3 273.380 2.392 20 30 CEEDHN C[C@H](N[C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(C#N)cc1 ZINC000284578718 196088765 /nfs/dbraw/zinc/08/87/65/196088765.db2.gz ZCQXELJEPDHWHT-APHBMKBZSA-N 0 3 290.407 2.367 20 30 CEEDHN CCNC(=O)C[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000284792276 196133277 /nfs/dbraw/zinc/13/32/77/196133277.db2.gz OBKXHVXVIJKVRO-MRXNPFEDSA-N 0 3 285.391 2.439 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@H](CC)[C@@H]1CCCCO1 ZINC000653880753 414772164 /nfs/dbraw/zinc/77/21/64/414772164.db2.gz QZAZZGMXJLPFIZ-CABCVRRESA-N 0 3 282.428 2.348 20 30 CEEDHN C=CCC1(NC(=O)[C@@H]2CNCCC2(F)F)CCCC1 ZINC000662888832 414790116 /nfs/dbraw/zinc/79/01/16/414790116.db2.gz NHBJLUROJNZKOQ-NSHDSACASA-N 0 3 272.339 2.236 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C[C@@H](CC)CC(F)F)C1=O ZINC000660464353 414835947 /nfs/dbraw/zinc/83/59/47/414835947.db2.gz ODWFZZSSFVLWLM-NWDGAFQWSA-N 0 3 274.355 2.387 20 30 CEEDHN C=CCCn1cc(CNCCC[C@@H]2CCCC[C@H]2O)nn1 ZINC000657402713 414915599 /nfs/dbraw/zinc/91/55/99/414915599.db2.gz JGVSLYXEPGTPGB-GOEBONIOSA-N 0 3 292.427 2.275 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC[C@@H](C)CC)CC1 ZINC000660704254 414940183 /nfs/dbraw/zinc/94/01/83/414940183.db2.gz AZFALIJBWHYUQO-ZDUSSCGKSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCCn1cc(CNC2CCC(COC)CC2)nn1 ZINC000657497595 414975079 /nfs/dbraw/zinc/97/50/79/414975079.db2.gz ZXIGBQKGOUOURA-UHFFFAOYSA-N 0 3 278.400 2.149 20 30 CEEDHN C=CCN(C(=O)N[C@@H](C)CN1CCCCC1)[C@H](C)COC ZINC000663640071 415002421 /nfs/dbraw/zinc/00/24/21/415002421.db2.gz BJLNHEUYLQAKKM-LSDHHAIUSA-N 0 3 297.443 2.093 20 30 CEEDHN C=CCN(CC=C)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654724232 415018740 /nfs/dbraw/zinc/01/87/40/415018740.db2.gz AIIKKNRDWHHSPQ-GJZGRUSLSA-N 0 3 277.412 2.387 20 30 CEEDHN C=CCCCNC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000661091231 415091328 /nfs/dbraw/zinc/09/13/28/415091328.db2.gz KXWCPQRCYBHBGV-AWEZNQCLSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCCn1cc(CN[C@@H](C(C)C)[C@@H](CO)C(C)C)nn1 ZINC000653747827 415091991 /nfs/dbraw/zinc/09/19/91/415091991.db2.gz MOOLTOHGEQUXAS-HOTGVXAUSA-N 0 3 294.443 2.233 20 30 CEEDHN C=CCN(C[C@@H](O)Cc1ccccc1)[C@@H](C)COC ZINC000661240699 415152257 /nfs/dbraw/zinc/15/22/57/415152257.db2.gz QFIOUAGKHPSHCY-HOCLYGCPSA-N 0 3 263.381 2.113 20 30 CEEDHN Cc1cc(C)c(C#N)c(NCCN2CCCCC2)n1 ZINC000044389430 175170805 /nfs/dbraw/zinc/17/08/05/175170805.db2.gz WGPZCTAYXVTTFI-UHFFFAOYSA-N 0 3 258.369 2.468 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000355087251 287298506 /nfs/dbraw/zinc/29/85/06/287298506.db2.gz MIUROZTWJAICHM-BYCMXARLSA-N 0 3 271.364 2.253 20 30 CEEDHN C=CC1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000661396127 415239326 /nfs/dbraw/zinc/23/93/26/415239326.db2.gz AYDKCBCTPVPXAA-AWEZNQCLSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCC(C2CCC2)CC1 ZINC000661375590 415231042 /nfs/dbraw/zinc/23/10/42/415231042.db2.gz AXPOZFGVRQAHJN-GFCCVEGCSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C[C@@H](CC(=O)N[C@@H](CN)C(F)(F)F)c1ccccc1 ZINC000655519472 415321114 /nfs/dbraw/zinc/32/11/14/415321114.db2.gz VEADXWUKAJKOIN-JQWIXIFHSA-N 0 3 286.297 2.352 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000664589377 415412625 /nfs/dbraw/zinc/41/26/25/415412625.db2.gz HWWWPCOPNYBYAY-KGLIPLIRSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCNC(=O)CN[C@H]1CCc2cc(C)cc(C)c21 ZINC000655747225 415428119 /nfs/dbraw/zinc/42/81/19/415428119.db2.gz CIJDZLGAZYTLJF-AWEZNQCLSA-N 0 3 258.365 2.183 20 30 CEEDHN C=C(CC)CNC(=O)N[C@@H](CC)CN1CCCC1 ZINC000655680173 415381731 /nfs/dbraw/zinc/38/17/31/415381731.db2.gz JAVHUTUBGGYXFT-ZDUSSCGKSA-N 0 3 253.390 2.126 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCC[C@H]1OC(F)F ZINC000575145027 335072605 /nfs/dbraw/zinc/07/26/05/335072605.db2.gz JNKYEZGDGXSOMT-VXGBXAGGSA-N 0 3 290.354 2.161 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCCn2ccnc21 ZINC000655764880 415444969 /nfs/dbraw/zinc/44/49/69/415444969.db2.gz UBUNQKOKKDQPME-MJBXVCDLSA-N 0 3 261.369 2.289 20 30 CEEDHN C=CCC[C@H](NC[C@@](C)(CO)OC)c1ccco1 ZINC000655799353 415476178 /nfs/dbraw/zinc/47/61/78/415476178.db2.gz OBIIJOYMBRZJEZ-JSGCOSHPSA-N 0 3 253.342 2.274 20 30 CEEDHN C=CCCC1(CNC(=O)CNC[C@@H]2CCCO2)CCCC1 ZINC000659334770 415524264 /nfs/dbraw/zinc/52/42/64/415524264.db2.gz QBWGKSBEPLZUAS-HNNXBMFYSA-N 0 3 294.439 2.398 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C(N)=O)c1ccccc1 ZINC000662086495 415617281 /nfs/dbraw/zinc/61/72/81/415617281.db2.gz UFMTXBRQNCKJQK-ZNMIVQPWSA-N 0 3 256.349 2.396 20 30 CEEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc2n1CCOC2 ZINC000656401369 415692378 /nfs/dbraw/zinc/69/23/78/415692378.db2.gz DBVHGOPBQGEJGW-STQMWFEESA-N 0 3 276.384 2.033 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC2(CC1)OCCc1ccccc12 ZINC000656570573 415770913 /nfs/dbraw/zinc/77/09/13/415770913.db2.gz GUCDDSHKEIOHRP-QGZVFWFLSA-N 0 3 287.403 2.487 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(C)C[C@H]1CC1(C)C ZINC000662348185 415794103 /nfs/dbraw/zinc/79/41/03/415794103.db2.gz OVTFRGPVDHRGEP-CYBMUJFWSA-N 0 3 252.402 2.389 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000656689361 415812155 /nfs/dbraw/zinc/81/21/55/415812155.db2.gz QCKSWXBQPCEZOO-MJBXVCDLSA-N 0 3 294.439 2.393 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000078331674 177333195 /nfs/dbraw/zinc/33/31/95/177333195.db2.gz GLVAKRNABSLJIQ-GASCZTMLSA-N 0 3 291.439 2.468 20 30 CEEDHN COc1cc(CN2CCN(C)[C@@H](C)[C@H]2C)ccc1C#N ZINC000442842633 225059824 /nfs/dbraw/zinc/05/98/24/225059824.db2.gz QTSDIXHVNBRUIF-QWHCGFSZSA-N 0 3 273.380 2.091 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000347119397 226031761 /nfs/dbraw/zinc/03/17/61/226031761.db2.gz WXDQUUQZKCDCKH-DOMZBBRYSA-N 0 3 265.316 2.447 20 30 CEEDHN CC(C#N)C(=O)NCc1cc(N(C)C)nc2ccccc12 ZINC000347191868 226055296 /nfs/dbraw/zinc/05/52/96/226055296.db2.gz IEKIQHKTJBPNRN-NSHDSACASA-N 0 3 282.347 2.077 20 30 CEEDHN Cn1nccc1-c1ccccc1CNCCCC#N ZINC000352856383 227341829 /nfs/dbraw/zinc/34/18/29/227341829.db2.gz GSTCMPYDLGGNFT-UHFFFAOYSA-N 0 3 254.337 2.480 20 30 CEEDHN Cc1cc(C)n(CC(=O)NC[C@H]2CCCCN2C2CC2)n1 ZINC000329969110 228001478 /nfs/dbraw/zinc/00/14/78/228001478.db2.gz WKBDMPRXEMCZEN-OAHLLOKOSA-N 0 3 290.411 2.473 20 30 CEEDHN C[C@H](C(=O)N[C@H]1CCn2ccnc2C1)N1CCCCCC1 ZINC000330291764 228101965 /nfs/dbraw/zinc/10/19/65/228101965.db2.gz CXVIZMKDUGIPET-KGLIPLIRSA-N 0 3 290.411 2.419 20 30 CEEDHN C[C@H](C(=O)NC1CCCC1)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000330150228 228050590 /nfs/dbraw/zinc/05/05/90/228050590.db2.gz VPFZZJUFGAKPJW-VXGBXAGGSA-N 0 3 291.399 2.272 20 30 CEEDHN N#CCc1ccc(CN2CCC[C@H](c3nnc[nH]3)C2)cc1 ZINC000332326177 228155821 /nfs/dbraw/zinc/15/58/21/228155821.db2.gz MHAWTIYHGOHQGX-HNNXBMFYSA-N 0 3 281.363 2.250 20 30 CEEDHN CC(C#N)C(=O)NCc1c(F)cc(F)c(F)c1F ZINC000336153486 228198415 /nfs/dbraw/zinc/19/84/15/228198415.db2.gz APQFBWWUFLUWQA-RXMQYKEDSA-N 0 3 260.190 2.019 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN1CC[C@@H](C2CCCC2)C1)C1CC1 ZINC000333762894 228212827 /nfs/dbraw/zinc/21/28/27/228212827.db2.gz CYMDHWKRBUKSGJ-PBHICJAKSA-N 0 3 289.423 2.307 20 30 CEEDHN N#CC(C(=O)Nc1nc2ccccc2s1)c1ccncn1 ZINC000352314665 228219543 /nfs/dbraw/zinc/21/95/43/228219543.db2.gz QZRVPWKYMIVQCB-SECBINFHSA-N 0 3 295.327 2.332 20 30 CEEDHN C=CCCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000665943661 419486105 /nfs/dbraw/zinc/48/61/05/419486105.db2.gz YWIFBZIQGJCNET-CYBMUJFWSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CCCNC(=O)Nc1ccccc1CCN(C)C ZINC000666839101 419444326 /nfs/dbraw/zinc/44/43/26/419444326.db2.gz MTRCIHYNDFNXLB-UHFFFAOYSA-N 0 3 261.369 2.488 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)CC1(O)CCOCC1 ZINC000298108151 260144336 /nfs/dbraw/zinc/14/43/36/260144336.db2.gz LVZUSEUELDLJQC-UHFFFAOYSA-N 0 3 286.375 2.088 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccccc2NC)CC1 ZINC000298147508 260145058 /nfs/dbraw/zinc/14/50/58/260145058.db2.gz OXJKNBLZBMDOSH-UHFFFAOYSA-N 0 3 273.380 2.109 20 30 CEEDHN C=CCOc1cccc(NC(=O)NC[C@H](C)N(C)C)c1 ZINC000299160087 260173474 /nfs/dbraw/zinc/17/34/74/260173474.db2.gz DVOOEWHAJDPDMX-LBPRGKRZSA-N 0 3 277.368 2.323 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CC1CCC1 ZINC000111298487 260267433 /nfs/dbraw/zinc/26/74/33/260267433.db2.gz UTLQIBHKWKVOQO-SWLSCSKDSA-N 0 3 265.401 2.161 20 30 CEEDHN CC[C@H](COC)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000517995583 260332782 /nfs/dbraw/zinc/33/27/82/260332782.db2.gz NCVGAFGIAYBCFV-MRXNPFEDSA-N 0 3 298.390 2.473 20 30 CEEDHN N#C[C@@H](c1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000154390936 260744703 /nfs/dbraw/zinc/74/47/03/260744703.db2.gz DVHREELYNRVBAP-KRWDZBQOSA-N 0 3 285.391 2.048 20 30 CEEDHN C=C(Br)CN1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000367573116 260946366 /nfs/dbraw/zinc/94/63/66/260946366.db2.gz QWMHAWPNCKCJQB-RYUDHWBXSA-N 0 3 273.218 2.454 20 30 CEEDHN CCN(CC)CC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000153493398 261079197 /nfs/dbraw/zinc/07/91/97/261079197.db2.gz RSHSDGDIYGFEQO-OAHLLOKOSA-N 0 3 273.380 2.489 20 30 CEEDHN C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000448734643 261090294 /nfs/dbraw/zinc/09/02/94/261090294.db2.gz IBOGLQOZYLATRB-LRDDRELGSA-N 0 3 287.363 2.115 20 30 CEEDHN C=CCCCCNC(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000368412981 261109870 /nfs/dbraw/zinc/10/98/70/261109870.db2.gz QXEOXSPREVFFKZ-UONOGXRCSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CCCCNC(=O)N1CCCC12CCN(C)CC2 ZINC000448375086 261133240 /nfs/dbraw/zinc/13/32/40/261133240.db2.gz LYRDXVDJHCAGHG-UHFFFAOYSA-N 0 3 265.401 2.222 20 30 CEEDHN CN(CCN1CCCC1)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000448903431 261150568 /nfs/dbraw/zinc/15/05/68/261150568.db2.gz HMKALGGKJOMPRU-MRXNPFEDSA-N 0 3 275.396 2.015 20 30 CEEDHN N#CC1(NC(=O)CN2C[C@@H]3CCCC[C@H]3C2)CCCCC1 ZINC000177578982 261363402 /nfs/dbraw/zinc/36/34/02/261363402.db2.gz WWFYJHJRQUKPQN-GJZGRUSLSA-N 0 3 289.423 2.451 20 30 CEEDHN C#CCN(C(=O)NC[C@H](C)N1CCCC[C@H]1C)C1CC1 ZINC000491231697 261381807 /nfs/dbraw/zinc/38/18/07/261381807.db2.gz VMYJPKRQTVKUAR-KGLIPLIRSA-N 0 3 277.412 2.057 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000491231232 261381843 /nfs/dbraw/zinc/38/18/43/261381843.db2.gz RISLRZFCNHTDJD-ZFWWWQNUSA-N 0 3 277.412 2.104 20 30 CEEDHN CC[C@@H](CO)NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000186521299 262096517 /nfs/dbraw/zinc/09/65/17/262096517.db2.gz QQLUCEQEZOQUBG-INIZCTEOSA-N 0 3 298.390 2.324 20 30 CEEDHN CN(Cc1ccccc1)C(=O)CN[C@@H]1CCC[C@H](C#N)C1 ZINC000192702409 262209093 /nfs/dbraw/zinc/20/90/93/262209093.db2.gz FLNDVGVIEZLOOS-JKSUJKDBSA-N 0 3 285.391 2.317 20 30 CEEDHN C=CCOc1ccccc1CNC[C@@](C)(O)CSC ZINC000120663549 262225407 /nfs/dbraw/zinc/22/54/07/262225407.db2.gz RJYONPGZHBQCLY-OAHLLOKOSA-N 0 3 281.421 2.455 20 30 CEEDHN COCCO[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000336731182 262385720 /nfs/dbraw/zinc/38/57/20/262385720.db2.gz QVWVIVNMEXLPOQ-CYBMUJFWSA-N 0 3 254.374 2.054 20 30 CEEDHN CC1CCN(C(=[NH2+])NCc2ccc([O-])c(F)c2)CC1 ZINC000267475310 262932862 /nfs/dbraw/zinc/93/28/62/262932862.db2.gz ZFDHVFHGGOFADO-UHFFFAOYSA-N 0 3 265.332 2.078 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(CC#N)cc3)[C@H]2C1 ZINC000272287830 263003253 /nfs/dbraw/zinc/00/32/53/263003253.db2.gz NRLVYFAKCKDPCG-HOCLYGCPSA-N 0 3 298.390 2.311 20 30 CEEDHN C[C@H]1CC(O)C[C@H](C)N1Cc1ccc(OCC#N)cc1 ZINC000277047509 263039540 /nfs/dbraw/zinc/03/95/40/263039540.db2.gz HRUPLZCKBOAZJR-STQMWFEESA-N 0 3 274.364 2.323 20 30 CEEDHN COCCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279274168 263054464 /nfs/dbraw/zinc/05/44/64/263054464.db2.gz JMQDPMQWLIGOIQ-INIZCTEOSA-N 0 3 299.374 2.173 20 30 CEEDHN N#C[C@H]1CC[C@@H](N2CCCN(c3nccs3)CC2)C1 ZINC000280724783 263063983 /nfs/dbraw/zinc/06/39/83/263063983.db2.gz CLJSIAINBPVSEL-QWHCGFSZSA-N 0 3 276.409 2.347 20 30 CEEDHN C[C@@H]1C[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280840193 263064574 /nfs/dbraw/zinc/06/45/74/263064574.db2.gz OZOCNAFUAIVWOX-KCPJHIHWSA-N 0 3 267.332 2.013 20 30 CEEDHN C[C@@H]1CN(CCCC(C)(C)C#N)C[C@@]2(CCOC2)O1 ZINC000366591200 263067641 /nfs/dbraw/zinc/06/76/41/263067641.db2.gz NDSULGRAWPBGIH-UKRRQHHQSA-N 0 3 266.385 2.196 20 30 CEEDHN C[C@H]1CN(CCCC(C)(C)C#N)C[C@]2(CCOC2)O1 ZINC000366591202 263067660 /nfs/dbraw/zinc/06/76/60/263067660.db2.gz NDSULGRAWPBGIH-ZFWWWQNUSA-N 0 3 266.385 2.196 20 30 CEEDHN CC(C)CN(CCN(C)C)C(=O)c1ccc(CC#N)cc1 ZINC000340169517 263082366 /nfs/dbraw/zinc/08/23/66/263082366.db2.gz RIRREVZEUTUKFC-UHFFFAOYSA-N 0 3 287.407 2.412 20 30 CEEDHN N#CCN(C[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000283969403 263085346 /nfs/dbraw/zinc/08/53/46/263085346.db2.gz FGHGBWOGHHVBRM-SFHVURJKSA-N 0 3 299.418 2.265 20 30 CEEDHN C=CCN(C)CCN(CC)C[C@@H](O)Cc1ccccc1 ZINC000340210157 263094520 /nfs/dbraw/zinc/09/45/20/263094520.db2.gz NIQXRVQZAIKEGG-KRWDZBQOSA-N 0 3 276.424 2.030 20 30 CEEDHN CCNc1nc(NCCCC#N)nc(NC(C)(C)C)n1 ZINC000287009093 263100672 /nfs/dbraw/zinc/10/06/72/263100672.db2.gz UWWBRKYDKBRKIO-UHFFFAOYSA-N 0 3 277.376 2.229 20 30 CEEDHN CN(C)C[C@@H](NC(=O)NCCCC#N)c1ccc(F)cc1 ZINC000288077745 263103450 /nfs/dbraw/zinc/10/34/50/263103450.db2.gz HAIYNRNKEAHWDL-CQSZACIVSA-N 0 3 292.358 2.031 20 30 CEEDHN CN(C)C[C@H](NC(=O)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000290357693 263116314 /nfs/dbraw/zinc/11/63/14/263116314.db2.gz GJLRGYDLWDXXHT-AWEZNQCLSA-N 0 3 291.370 2.484 20 30 CEEDHN CC#CCN(C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000293045696 263137463 /nfs/dbraw/zinc/13/74/63/263137463.db2.gz HLSMDZNNELZBBG-CQSZACIVSA-N 0 3 251.757 2.199 20 30 CEEDHN CN(CCn1cc(Br)cn1)[C@H]1CC[C@H](C#N)C1 ZINC000293725001 263147799 /nfs/dbraw/zinc/14/77/99/263147799.db2.gz YUQGYPVNDQBNMB-JQWIXIFHSA-N 0 3 297.200 2.270 20 30 CEEDHN C[C@@H](CCC#N)N1CC[C@](CO)(c2ccccc2)C1 ZINC000298065361 263214586 /nfs/dbraw/zinc/21/45/86/263214586.db2.gz GRSVVMXANHDXLR-HOCLYGCPSA-N 0 3 258.365 2.315 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@H](OCc2ccncc2)C1 ZINC000298524915 263221112 /nfs/dbraw/zinc/22/11/12/263221112.db2.gz LTFDDHNPSMMLDO-HIFRSBDPSA-N 0 3 259.353 2.365 20 30 CEEDHN C=CCOc1ccc(CN[C@H]2CNCCC2(F)F)cc1 ZINC000415007522 263222798 /nfs/dbraw/zinc/22/27/98/263222798.db2.gz UXKMXIZOGIFGPY-AWEZNQCLSA-N 0 3 282.334 2.338 20 30 CEEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000341871094 263360562 /nfs/dbraw/zinc/36/05/62/263360562.db2.gz COWKNDWOZZAKSY-QWHCGFSZSA-N 0 3 251.374 2.299 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000342739448 263472014 /nfs/dbraw/zinc/47/20/14/263472014.db2.gz KWTSDKMOHBLRPL-UGUYLWEFSA-N 0 3 292.423 2.053 20 30 CEEDHN CN(C)C1(CNC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000416307914 263690442 /nfs/dbraw/zinc/69/04/42/263690442.db2.gz NHBUYUQXVXVDPR-OAHLLOKOSA-N 0 3 285.391 2.284 20 30 CEEDHN CCc1nc(C(=O)NC2CCN(CC)CC2)co1 ZINC000330813817 264045311 /nfs/dbraw/zinc/04/53/11/264045311.db2.gz FNDYFZFUOIAMLB-UHFFFAOYSA-N 0 3 251.330 2.026 20 30 CEEDHN CC(C)[C@H](C(=O)NCC(C)(C)C#N)N1CCCCC1 ZINC000330844248 264066293 /nfs/dbraw/zinc/06/62/93/264066293.db2.gz XKVQVESVQPKCPY-CYBMUJFWSA-N 0 3 265.401 2.163 20 30 CEEDHN CC(C)N(C[C@H](C)O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000330943072 264083941 /nfs/dbraw/zinc/08/39/41/264083941.db2.gz DEINQOYXALLBAK-KKUMJFAQSA-N 0 3 299.459 2.112 20 30 CEEDHN CC[C@H](NC(=O)NC1CCN(CC)CC1)C1CCOCC1 ZINC000330949040 264085858 /nfs/dbraw/zinc/08/58/58/264085858.db2.gz CIRCXVVMYHIMGS-HNNXBMFYSA-N 0 3 297.443 2.180 20 30 CEEDHN Cc1ccccc1C(=O)NC[C@@H]1CCCCN1CCO ZINC000331301522 264199361 /nfs/dbraw/zinc/19/93/61/264199361.db2.gz DZURPXCXTNWLKU-AWEZNQCLSA-N 0 3 276.380 2.146 20 30 CEEDHN C=CCC1(C(=O)NCCN2CCCC2(C)C)CCOCC1 ZINC000424865498 264240422 /nfs/dbraw/zinc/24/04/22/264240422.db2.gz MSOSVCJGRDREBK-UHFFFAOYSA-N 0 3 294.439 2.350 20 30 CEEDHN C[C@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)N1CCCC[C@@H]1C ZINC000425406724 264284289 /nfs/dbraw/zinc/28/42/89/264284289.db2.gz PSQPZZQAGWMUNO-LJISPDSOSA-N 0 3 292.427 2.241 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1SCC ZINC000189488976 264302576 /nfs/dbraw/zinc/30/25/76/264302576.db2.gz WKKCBRGXQRXQJV-YNEHKIRRSA-N 0 3 270.442 2.331 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425447739 264325897 /nfs/dbraw/zinc/32/58/97/264325897.db2.gz SJYXEMDPSBSTML-LJISPDSOSA-N 0 3 292.427 2.241 20 30 CEEDHN CCc1ccc([C@H](CNc2cc(C#N)ncn2)N(C)C)cc1 ZINC000527129836 269987158 /nfs/dbraw/zinc/98/71/58/269987158.db2.gz DPIGJCBWQXNJNE-INIZCTEOSA-N 0 3 295.390 2.047 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000424930358 264382698 /nfs/dbraw/zinc/38/26/98/264382698.db2.gz FKKLQLIGWNZZIO-IMJJTQAJSA-N 0 3 292.423 2.101 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCO[C@@H]2CC)CC1 ZINC000345929823 265102229 /nfs/dbraw/zinc/10/22/29/265102229.db2.gz LNSIDIIBOIRXOS-HZPDHXFCSA-N 0 3 294.439 2.348 20 30 CEEDHN CCOC(=O)C1(C)CCC(NCC2(C#N)CC2)CC1 ZINC000518879657 265192907 /nfs/dbraw/zinc/19/29/07/265192907.db2.gz LHQNMHXYYVGIPA-UHFFFAOYSA-N 0 3 264.369 2.392 20 30 CEEDHN C=CCOc1ccc(C(=O)NC2CCN(CC)CC2)cc1 ZINC000357652199 266340481 /nfs/dbraw/zinc/34/04/81/266340481.db2.gz UTTLMPXQPUUYRB-UHFFFAOYSA-N 0 3 288.391 2.466 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000357785291 266361677 /nfs/dbraw/zinc/36/16/77/266361677.db2.gz BIPKYHIFVSJIIY-BONVTDFDSA-N 0 3 286.331 2.185 20 30 CEEDHN COc1ccc([C@H](OC)[C@H](C)NC(=O)C(C)C#N)cc1 ZINC000357982665 266394094 /nfs/dbraw/zinc/39/40/94/266394094.db2.gz RNBORFKHQPLXCS-UHIISALHSA-N 0 3 276.336 2.047 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000362803409 267048753 /nfs/dbraw/zinc/04/87/53/267048753.db2.gz ZFWOJLLAKVMYGL-WCVJEAGWSA-N 0 3 294.439 2.347 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@H]1c1cn(C)nc1C ZINC000362828365 267052600 /nfs/dbraw/zinc/05/26/00/267052600.db2.gz FQMGSCLVHLVWMS-HIFRSBDPSA-N 0 3 263.385 2.193 20 30 CEEDHN CCN(CC)C(=O)C[C@@H](C)NCc1ccc(C#N)s1 ZINC000421347291 267055675 /nfs/dbraw/zinc/05/56/75/267055675.db2.gz BXRLRGBBKXAEFC-LLVKDONJSA-N 0 3 279.409 2.356 20 30 CEEDHN C=CCCOCCNC(=O)c1ccccc1CN(C)C ZINC000362959724 267067147 /nfs/dbraw/zinc/06/71/47/267067147.db2.gz DASPVFZKYPGMCQ-UHFFFAOYSA-N 0 3 276.380 2.071 20 30 CEEDHN N#CCCCOc1cccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000367838555 267121066 /nfs/dbraw/zinc/12/10/66/267121066.db2.gz FVJDGLWDRRXDNF-FVQHAEBGSA-N 0 3 286.375 2.039 20 30 CEEDHN C=CCOCCNc1ccncc1-c1cccnc1 ZINC000367843975 267122158 /nfs/dbraw/zinc/12/21/58/267122158.db2.gz RKEFQBHGJGSRAW-UHFFFAOYSA-N 0 3 255.321 2.180 20 30 CEEDHN CCO[C@@H]1COCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000439446790 267149112 /nfs/dbraw/zinc/14/91/12/267149112.db2.gz XSXXSIHTSZFYLE-HUUCEWRRSA-N 0 3 294.782 2.495 20 30 CEEDHN C[C@H](CNC(=O)Cc1ccc(C#N)cc1)N1CCC(C)CC1 ZINC000194877832 267159596 /nfs/dbraw/zinc/15/95/96/267159596.db2.gz NNSYQILVAOTEQG-OAHLLOKOSA-N 0 3 299.418 2.337 20 30 CEEDHN CC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)F ZINC000452268661 267192702 /nfs/dbraw/zinc/19/27/02/267192702.db2.gz YJSBDGXKSCJXHT-QWHCGFSZSA-N 0 3 291.301 2.400 20 30 CEEDHN C=CCOc1ccc(CNC[C@H](O)COC)cc1Cl ZINC000117946781 267230738 /nfs/dbraw/zinc/23/07/38/267230738.db2.gz NEZJIIDISYBNLR-LBPRGKRZSA-N 0 3 285.771 2.002 20 30 CEEDHN CC[C@H]1CN(CC)CCN1Cc1ccc(OC)c(C#N)c1 ZINC000449567490 267231934 /nfs/dbraw/zinc/23/19/34/267231934.db2.gz WHMMNKTYPPGAOZ-INIZCTEOSA-N 0 3 287.407 2.483 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000369401073 267240659 /nfs/dbraw/zinc/24/06/59/267240659.db2.gz ZVLUITVYDUYWRR-VYDXJSESSA-N 0 3 284.403 2.077 20 30 CEEDHN CCCCCCCCN1CCCN(CC(=O)NC)CC1 ZINC000369582542 267252102 /nfs/dbraw/zinc/25/21/02/267252102.db2.gz BZXJXDIGJSJZIC-UHFFFAOYSA-N 0 3 283.460 2.101 20 30 CEEDHN C#CC[C@@H](C)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000369743436 267263487 /nfs/dbraw/zinc/26/34/87/267263487.db2.gz ZZBVYBKBQZKYTF-NVXWUHKLSA-N 0 3 299.418 2.362 20 30 CEEDHN CN(C(=O)/C=C/c1ccc(C#N)cc1)[C@@H]1CN2CCC1CC2 ZINC000491791599 267269042 /nfs/dbraw/zinc/26/90/42/267269042.db2.gz FZIMCBHEYNRCQZ-DKRLNXSXSA-N 0 3 295.386 2.124 20 30 CEEDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(C#N)o1 ZINC000429804639 267282373 /nfs/dbraw/zinc/28/23/73/267282373.db2.gz GQZLOYAEGAIQTD-AWEZNQCLSA-N 0 3 297.358 2.054 20 30 CEEDHN C#CCN(C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000370086752 267290235 /nfs/dbraw/zinc/29/02/35/267290235.db2.gz KNABNJVOHWKOCK-UHFFFAOYSA-N 0 3 286.423 2.442 20 30 CEEDHN C#CCCNC(=O)NC[C@@H]1CCCN1CCc1ccccc1 ZINC000370264661 267304961 /nfs/dbraw/zinc/30/49/61/267304961.db2.gz KFWVUVMSLPOWMZ-KRWDZBQOSA-N 0 3 299.418 2.016 20 30 CEEDHN C=C(Cl)CN1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000370687206 267340022 /nfs/dbraw/zinc/34/00/22/267340022.db2.gz CLIGRPFPQMKQOH-UHFFFAOYSA-N 0 3 285.863 2.229 20 30 CEEDHN N#CC1(CN[C@@H]2CCO[C@H](C(F)(F)F)C2)CCC1 ZINC000418141472 267363564 /nfs/dbraw/zinc/36/35/64/267363564.db2.gz LBRNUDNQGULTJR-ZJUUUORDSA-N 0 3 262.275 2.380 20 30 CEEDHN N#CC1(CN[C@H]2CCO[C@H](C(F)(F)F)C2)CCC1 ZINC000418141470 267363526 /nfs/dbraw/zinc/36/35/26/267363526.db2.gz LBRNUDNQGULTJR-UWVGGRQHSA-N 0 3 262.275 2.380 20 30 CEEDHN N#Cc1ccc(CC(=O)NCCN2CCCCCC2)cc1 ZINC000195181398 268056747 /nfs/dbraw/zinc/05/67/47/268056747.db2.gz PYKUSMBBFUSVEB-UHFFFAOYSA-N 0 3 285.391 2.093 20 30 CEEDHN N#Cc1cccc(OC2CCN(C[C@H]3C[C@@H](O)C3)CC2)c1 ZINC000420909976 268283609 /nfs/dbraw/zinc/28/36/09/268283609.db2.gz ZVVRLXUHQSYOOK-GASCZTMLSA-N 0 3 286.375 2.172 20 30 CEEDHN CC[C@H](C)N1CCN(c2cc(C)ncc2C#N)CC1 ZINC000399647024 270371416 /nfs/dbraw/zinc/37/14/16/270371416.db2.gz LSSSRBRVDOMUCX-ZDUSSCGKSA-N 0 3 258.369 2.182 20 30 CEEDHN C[C@H](c1ccccc1)[C@@H](NCc1ccc(C#N)cc1)C(N)=O ZINC000428825813 271295360 /nfs/dbraw/zinc/29/53/60/271295360.db2.gz BMCLDEOPQJSXLI-CXAGYDPISA-N 0 3 293.370 2.305 20 30 CEEDHN C#CCCCN1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000271082853 273477329 /nfs/dbraw/zinc/47/73/29/273477329.db2.gz YVJVSKSMAFBENB-UHFFFAOYSA-N 0 3 283.375 2.380 20 30 CEEDHN N#Cc1cccnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000104177540 274928540 /nfs/dbraw/zinc/92/85/40/274928540.db2.gz IHYJJGYXTNWZPC-CQSZACIVSA-N 0 3 256.353 2.018 20 30 CEEDHN C#CCC(C)(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000184914417 275378954 /nfs/dbraw/zinc/37/89/54/275378954.db2.gz YJQWNGIOQBHNAP-HNNXBMFYSA-N 0 3 272.392 2.455 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC(C)(C#N)CC1 ZINC000355967104 275584205 /nfs/dbraw/zinc/58/42/05/275584205.db2.gz VWDHDFHQNZJWAB-AWEZNQCLSA-N 0 3 294.443 2.298 20 30 CEEDHN CC[C@@H](N[C@@H](C)C(=O)N(C)CC)c1ccc(C#N)cc1 ZINC000278677891 276533277 /nfs/dbraw/zinc/53/32/77/276533277.db2.gz JPQJEZKNKRURQY-SWLSCSKDSA-N 0 3 273.380 2.466 20 30 CEEDHN CC(=O)NC[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000118394778 277036900 /nfs/dbraw/zinc/03/69/00/277036900.db2.gz NVIQLDZBENKEOU-CZUORRHYSA-N 0 3 285.391 2.467 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(C#N)cc3)[C@@H]2C1 ZINC000272160870 277174821 /nfs/dbraw/zinc/17/48/21/277174821.db2.gz ANILCUASTXAOGJ-DZGCQCFKSA-N 0 3 284.363 2.116 20 30 CEEDHN CC(C)(CCC#N)CN[C@@H](C(N)=O)c1ccccc1 ZINC000352262769 277295515 /nfs/dbraw/zinc/29/55/15/277295515.db2.gz KPNLSYHMAFCCPD-CYBMUJFWSA-N 0 3 259.353 2.133 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000186688303 277881148 /nfs/dbraw/zinc/88/11/48/277881148.db2.gz ZFTLDNGZZQWOKA-FNFWKMNBSA-N 0 3 267.394 2.012 20 30 CEEDHN C[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCC1 ZINC000360106017 278267867 /nfs/dbraw/zinc/26/78/67/278267867.db2.gz ZKSPMLBRZLFXPP-XHDPSFHLSA-N 0 3 271.364 2.253 20 30 CEEDHN CC1(C)CC[C@H]([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)C1 ZINC000330197149 278278896 /nfs/dbraw/zinc/27/88/96/278278896.db2.gz RJZWYZININRCBN-RYUDHWBXSA-N 0 3 276.384 2.280 20 30 CEEDHN C[C@@H]1CCC[C@@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000355687387 278503345 /nfs/dbraw/zinc/50/33/45/278503345.db2.gz XFBDYCWNZRDFJT-KCPJHIHWSA-N 0 3 271.364 2.110 20 30 CEEDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(C#N)cc1)CC2 ZINC000118398661 279141434 /nfs/dbraw/zinc/14/14/34/279141434.db2.gz IIKMJRYHMVIIPX-ABAIWWIYSA-N 0 3 281.363 2.124 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](C)CC1(C)C ZINC000347516205 279224368 /nfs/dbraw/zinc/22/43/68/279224368.db2.gz LJVJYOHLARXIGS-CHWSQXEVSA-N 0 3 265.401 2.115 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)C2(C#N)CCCCC2)CCCN1C ZINC000343447950 280103222 /nfs/dbraw/zinc/10/32/22/280103222.db2.gz PMCCDQFFSWVYIT-STQMWFEESA-N 0 3 263.385 2.059 20 30 CEEDHN COC[C@@H](NCc1cccc(C#N)c1F)C(C)C ZINC000230628009 280219035 /nfs/dbraw/zinc/21/90/35/280219035.db2.gz XWBNMLBVPAARCO-CYBMUJFWSA-N 0 3 250.317 2.458 20 30 CEEDHN CC[C@@H]1CCCCCN1CC(=O)NC1(C#N)CCC1 ZINC000347062968 280238207 /nfs/dbraw/zinc/23/82/07/280238207.db2.gz XORLGYNTWUZOGH-CYBMUJFWSA-N 0 3 263.385 2.203 20 30 CEEDHN Cc1cc(C#N)cc(NC[C@@H](c2ccccc2)N(C)C)n1 ZINC000339976984 280312900 /nfs/dbraw/zinc/31/29/00/280312900.db2.gz OYDHXVKTKWTQMJ-INIZCTEOSA-N 0 3 280.375 2.398 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)C1CCOCC1 ZINC000536594380 298199992 /nfs/dbraw/zinc/19/99/92/298199992.db2.gz CVVZEUPKHAYQMK-UHFFFAOYSA-N 0 3 260.337 2.178 20 30 CEEDHN C[C@@H](Cc1ccsc1)NCc1cnc2c(C#N)cnn2c1 ZINC000550828811 298450490 /nfs/dbraw/zinc/45/04/90/298450490.db2.gz NYROWQCPYOMMSA-NSHDSACASA-N 0 3 297.387 2.383 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H]([C@H]3CCOC3)C2)nc1 ZINC000570341524 314035028 /nfs/dbraw/zinc/03/50/28/314035028.db2.gz ITOKNHLWOTWEKS-CABCVRRESA-N 0 3 271.364 2.202 20 30 CEEDHN CN(C(=O)CN[C@H]1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000361432320 328925785 /nfs/dbraw/zinc/92/57/85/328925785.db2.gz LZXBKGKWLYFFQJ-KGLIPLIRSA-N 0 3 277.412 2.449 20 30 CEEDHN CC1(CCNCCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000576816697 314313156 /nfs/dbraw/zinc/31/31/56/314313156.db2.gz GDZZZESTBVQFBZ-UHFFFAOYSA-N 0 3 292.404 2.112 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NCc2cccnc2-n2cccn2)C1 ZINC000185819579 327846450 /nfs/dbraw/zinc/84/64/50/327846450.db2.gz BNUSVSPIYUTDEL-HIFRSBDPSA-N 0 3 281.363 2.439 20 30 CEEDHN CC[C@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(C)cc1 ZINC000571294357 328100199 /nfs/dbraw/zinc/10/01/99/328100199.db2.gz INNXUNBHTDAHMO-SJORKVTESA-N 0 3 289.423 2.242 20 30 CEEDHN C=CCN1CC[C@H](N(CC)C2CC(C)(C)C2)C1=O ZINC000412041182 328102137 /nfs/dbraw/zinc/10/21/37/328102137.db2.gz SLEXJNAEWCHAPJ-ZDUSSCGKSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCN1CCC(NC(=O)N(CCC)CCC)CC1 ZINC000171740710 329079911 /nfs/dbraw/zinc/07/99/11/329079911.db2.gz WJEPPKBOKVTOSQ-UHFFFAOYSA-N 0 3 267.417 2.468 20 30 CEEDHN CC[C@@H](C#N)NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000264146920 328157698 /nfs/dbraw/zinc/15/76/98/328157698.db2.gz GLGMSLOBBIESDO-HNNXBMFYSA-N 0 3 271.364 2.314 20 30 CEEDHN [O-]c1ccccc1/C=N/C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000268938789 328187180 /nfs/dbraw/zinc/18/71/80/328187180.db2.gz CZRKXKAOVBVNOK-YYXRTCSZSA-N 0 3 288.391 2.189 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H](C)C1(C)CC1 ZINC000177214547 329181979 /nfs/dbraw/zinc/18/19/79/329181979.db2.gz MHNAMIRGWMRODR-WFASDCNBSA-N 0 3 265.401 2.161 20 30 CEEDHN CC(C)(C#N)CC(=O)NCCCN1CCc2ccccc2C1 ZINC000278532958 328226440 /nfs/dbraw/zinc/22/64/40/328226440.db2.gz LRFXKWFEECRSSS-UHFFFAOYSA-N 0 3 299.418 2.491 20 30 CEEDHN Cc1ccc(CN(CCN(C)C)C(=O)CC(C)(C)C#N)o1 ZINC000278967020 328232280 /nfs/dbraw/zinc/23/22/80/328232280.db2.gz IPENDBKQSDJHQV-UHFFFAOYSA-N 0 3 291.395 2.418 20 30 CEEDHN N#CC1CCN(C(=O)C2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000289550072 328255145 /nfs/dbraw/zinc/25/51/45/328255145.db2.gz GDLYKFOZJRRIBO-CABCVRRESA-N 0 3 298.342 2.053 20 30 CEEDHN CN(C)C[C@H](NC(=O)CCCC#N)c1ccc(F)cc1 ZINC000291541478 328264908 /nfs/dbraw/zinc/26/49/08/328264908.db2.gz USSJLSISAOXZSW-AWEZNQCLSA-N 0 3 277.343 2.238 20 30 CEEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2OC(F)F)C[C@@H]1O ZINC000580343379 322312932 /nfs/dbraw/zinc/31/29/32/322312932.db2.gz NGPGBFDNWVVHRZ-OLZOCXBDSA-N 0 3 296.317 2.409 20 30 CEEDHN CC[C@@H]1CN(C)CCN1Cc1ccc(C#N)c(F)c1 ZINC000580886737 322351856 /nfs/dbraw/zinc/35/18/56/322351856.db2.gz XFOYZGLFIDILHG-CQSZACIVSA-N 0 3 261.344 2.223 20 30 CEEDHN CC[C@@H]1[C@@H](C)CCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000185676606 329328924 /nfs/dbraw/zinc/32/89/24/329328924.db2.gz YSBIXFBWRMEZAZ-MELADBBJSA-N 0 3 265.401 2.115 20 30 CEEDHN C=C[C@H](CO)N[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000289995499 328528387 /nfs/dbraw/zinc/52/83/87/328528387.db2.gz YSJIJEVKTAVHNU-YUELXQCFSA-N 0 3 261.365 2.369 20 30 CEEDHN COCC[C@]1(NCC#Cc2ccccc2Cl)CCOC1 ZINC000584033244 326866427 /nfs/dbraw/zinc/86/64/27/326866427.db2.gz VZGMFIWIYUYMEJ-INIZCTEOSA-N 0 3 293.794 2.477 20 30 CEEDHN COC(=O)C[C@H](NCC1(C#N)CC1)C1CCCCC1 ZINC000347965032 533708356 /nfs/dbraw/zinc/70/83/56/533708356.db2.gz QUGXQZHYSSAKNN-ZDUSSCGKSA-N 0 3 264.369 2.392 20 30 CEEDHN Cc1nn(C)c(C)c1CCCNC[C@H](C#N)CCC#N ZINC000557432262 327005359 /nfs/dbraw/zinc/00/53/59/327005359.db2.gz LBKWNMVVSIWEQF-AWEZNQCLSA-N 0 3 273.384 2.003 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cc(OC)c(OC)cc1F ZINC000583445327 327370866 /nfs/dbraw/zinc/37/08/66/327370866.db2.gz HRRVUBHVAYRHGX-LBPRGKRZSA-N 0 3 283.343 2.260 20 30 CEEDHN C=CCn1c(SCC[NH+]2C[C@@H](C)C[C@H](C)C2)n[n-]c1=O ZINC000565240754 327534464 /nfs/dbraw/zinc/53/44/64/327534464.db2.gz DBRPBIUSJJHZJF-RYUDHWBXSA-N 0 3 296.440 2.240 20 30 CEEDHN CC(C)(C)OC[C@@H](O)CN1CCC(CCC#N)CC1 ZINC000570042867 327565371 /nfs/dbraw/zinc/56/53/71/327565371.db2.gz OTMZTLHNLAEHBD-AWEZNQCLSA-N 0 3 268.401 2.178 20 30 CEEDHN C=CCCCC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000377979916 329036191 /nfs/dbraw/zinc/03/61/91/329036191.db2.gz VVTDAPQHCLWHGI-UHFFFAOYSA-N 0 3 280.412 2.056 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCCOCCCC)CC1 ZINC000171696116 329078453 /nfs/dbraw/zinc/07/84/53/329078453.db2.gz XMBRCEZAYGIZBP-UHFFFAOYSA-N 0 3 297.443 2.143 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](CC)C2)CC1 ZINC000171737623 329079705 /nfs/dbraw/zinc/07/97/05/329079705.db2.gz VWIVDARIEJFGSF-AWEZNQCLSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CCN1CCC(NC(=O)N(CCC)CC2CC2)CC1 ZINC000171740064 329079709 /nfs/dbraw/zinc/07/97/09/329079709.db2.gz SPFBALNULAKMJP-UHFFFAOYSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000172421546 329135117 /nfs/dbraw/zinc/13/51/17/329135117.db2.gz XZBVYNKIVQUEOR-HNNXBMFYSA-N 0 3 294.439 2.445 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1C[C@H](OCC)C1(CC)CC ZINC000178665697 329201936 /nfs/dbraw/zinc/20/19/36/329201936.db2.gz URYQXNOLLIOCCA-MJBXVCDLSA-N 0 3 282.428 2.251 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)CCCOC)CC1 ZINC000181696222 329235757 /nfs/dbraw/zinc/23/57/57/329235757.db2.gz KWLRLWMPIDOFRT-AWEZNQCLSA-N 0 3 282.428 2.206 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCO[C@@H](CC)C2)CC1 ZINC000183677888 329249438 /nfs/dbraw/zinc/24/94/38/329249438.db2.gz NGXORCAVMDYCJU-HOCLYGCPSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCC1(C(=O)N(C)CCN(C)C2CC2)CCC1 ZINC000190341377 329395251 /nfs/dbraw/zinc/39/52/51/329395251.db2.gz GTOYUYWWFUCKHE-UHFFFAOYSA-N 0 3 250.386 2.285 20 30 CEEDHN CN(C)C(=O)[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000419263150 329714721 /nfs/dbraw/zinc/71/47/21/329714721.db2.gz VBFOGIFNDPJZLK-CWRNSKLLSA-N 0 3 285.391 2.488 20 30 CEEDHN CC(C)(CC#N)CNC[C@H](O)COc1ccc(F)cc1 ZINC000572357093 330001134 /nfs/dbraw/zinc/00/11/34/330001134.db2.gz CNITXHSZMSDLSV-ZDUSSCGKSA-N 0 3 280.343 2.095 20 30 CEEDHN C=CCCCCCN(C)C(=O)[C@@H](N)CCSC ZINC000262702399 330027975 /nfs/dbraw/zinc/02/79/75/330027975.db2.gz JFBFNSMKYKINCA-LBPRGKRZSA-N 0 3 258.431 2.272 20 30 CEEDHN C=CCOc1ccc(C(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000421700688 330068734 /nfs/dbraw/zinc/06/87/34/330068734.db2.gz FUENAUCBWVXKTN-OAHLLOKOSA-N 0 3 288.391 2.418 20 30 CEEDHN C=CCOc1ccccc1C(=O)N(C)C[C@H]1CCCN1C ZINC000421701617 330068982 /nfs/dbraw/zinc/06/89/82/330068982.db2.gz HZKHGRCJVNYIMV-CQSZACIVSA-N 0 3 288.391 2.418 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000423178047 330175202 /nfs/dbraw/zinc/17/52/02/330175202.db2.gz FMWQTYAXDVBIEQ-ZFWWWQNUSA-N 0 3 288.391 2.256 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000424065398 330219017 /nfs/dbraw/zinc/21/90/17/330219017.db2.gz LFMMWXGAEQJSDF-NWDGAFQWSA-N 0 3 277.393 2.433 20 30 CEEDHN C[C@H](c1ccccc1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424064992 330219196 /nfs/dbraw/zinc/21/91/96/330219196.db2.gz KYKWKKOMRDXLAX-OCCSQVGLSA-N 0 3 259.353 2.227 20 30 CEEDHN CCCCN(CCCC)C(=O)[C@H](N)CCCC#N ZINC000424076441 330220820 /nfs/dbraw/zinc/22/08/20/330220820.db2.gz LUTPUPMIPDAUIH-CYBMUJFWSA-N 0 3 253.390 2.436 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(OC(F)F)c1 ZINC000424079546 330221652 /nfs/dbraw/zinc/22/16/52/330221652.db2.gz GKDYMOFCYXRPTB-NSHDSACASA-N 0 3 283.278 2.248 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000424084043 330222631 /nfs/dbraw/zinc/22/26/31/330222631.db2.gz YBPFUZDHZSMWMF-LLVKDONJSA-N 0 3 269.707 2.439 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccsc1 ZINC000424094002 330226358 /nfs/dbraw/zinc/22/63/58/330226358.db2.gz TUKBILBAVPOZFN-STQMWFEESA-N 0 3 277.393 2.433 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NC[C@H]1CCCc2ccccc21 ZINC000424095471 330226847 /nfs/dbraw/zinc/22/68/47/330226847.db2.gz WHKICXLKOGCFOO-ZBFHGGJFSA-N 0 3 285.391 2.244 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000424095469 330226870 /nfs/dbraw/zinc/22/68/70/330226870.db2.gz WHKICXLKOGCFOO-GOEBONIOSA-N 0 3 285.391 2.244 20 30 CEEDHN CCOc1cccc([C@@H](C)NC(=O)[C@H](N)CCCC#N)c1 ZINC000424096185 330227195 /nfs/dbraw/zinc/22/71/95/330227195.db2.gz BMQQSAIIOUQTCN-IUODEOHRSA-N 0 3 289.379 2.284 20 30 CEEDHN CCN(C(=O)[C@H](N)CCCC#N)c1cccc(OC)c1 ZINC000424096849 330227658 /nfs/dbraw/zinc/22/76/58/330227658.db2.gz PYLMUUCHIBQOIX-CQSZACIVSA-N 0 3 275.352 2.069 20 30 CEEDHN C[C@@H]1CCC[C@H](CCNC(=O)[C@H](N)CCCC#N)C1 ZINC000424121306 330249641 /nfs/dbraw/zinc/24/96/41/330249641.db2.gz FUKZRXIPKZNBIC-MGPQQGTHSA-N 0 3 265.401 2.340 20 30 CEEDHN CCOCCC1(CNC(=O)[C@@H](N)CCCC#N)CCCC1 ZINC000424120976 330250773 /nfs/dbraw/zinc/25/07/73/330250773.db2.gz HDLBLRBEPUDHEV-AWEZNQCLSA-N 0 3 295.427 2.111 20 30 CEEDHN CC(C)CC(C)(C)CNC(=O)[C@@H](N)CCCC#N ZINC000424149921 330296993 /nfs/dbraw/zinc/29/69/93/330296993.db2.gz HXZLILDLDZQWQW-LBPRGKRZSA-N 0 3 253.390 2.196 20 30 CEEDHN CCCOc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424186420 330320885 /nfs/dbraw/zinc/32/08/85/330320885.db2.gz HDPPBHKEFPBKAL-AWEZNQCLSA-N 0 3 275.352 2.435 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CC2(CCC2)c2ccccc21 ZINC000424191461 330323635 /nfs/dbraw/zinc/32/36/35/330323635.db2.gz RATRUSYWOMWWBX-AWEZNQCLSA-N 0 3 283.375 2.476 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000424212489 330328688 /nfs/dbraw/zinc/32/86/88/330328688.db2.gz PJZZSTAGYCUPPI-OEAJRASXSA-N 0 3 288.391 2.030 20 30 CEEDHN C[C@H](CCCO)NC(=O)C(C#N)CCc1ccccc1 ZINC000433386494 330350294 /nfs/dbraw/zinc/35/02/94/330350294.db2.gz OUYMJKBPOKNAOY-UKRRQHHQSA-N 0 3 274.364 2.036 20 30 CEEDHN C=CCN(CCOC)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424429720 330351804 /nfs/dbraw/zinc/35/18/04/330351804.db2.gz XTWOFWWAZLIPFK-UHFFFAOYSA-N 0 3 277.368 2.120 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1C[C@H](OC)C1(C)C ZINC000439623350 330741331 /nfs/dbraw/zinc/74/13/31/330741331.db2.gz GTOOQJZDRFSWJB-IHRRRGAJSA-N 0 3 282.428 2.203 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCCNC(=O)CC2CCCCC2)C1 ZINC000442869080 330788848 /nfs/dbraw/zinc/78/88/48/330788848.db2.gz HYMOBHCJYUKJNO-CABCVRRESA-N 0 3 277.412 2.355 20 30 CEEDHN CC1(C#N)CCC(N[C@H](C(N)=O)c2ccccc2)CC1 ZINC000449069860 330896883 /nfs/dbraw/zinc/89/68/83/330896883.db2.gz AFCMCXBMKADOJO-BBBYJDLNSA-N 0 3 271.364 2.275 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)[C@H](C)NC1CC1 ZINC000449110790 330899799 /nfs/dbraw/zinc/89/97/99/330899799.db2.gz GSYWNTNVJZZFQV-ZDUSSCGKSA-N 0 3 258.365 2.342 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](SC)C1 ZINC000451323595 331024416 /nfs/dbraw/zinc/02/44/16/331024416.db2.gz VMJDHVLHWCHTRZ-STQMWFEESA-N 0 3 270.442 2.237 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](C)CCCC(C)C ZINC000451601210 331035857 /nfs/dbraw/zinc/03/58/57/331035857.db2.gz UNTQYZCZPRKGND-KFWWJZLASA-N 0 3 282.428 2.251 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000451677752 331038576 /nfs/dbraw/zinc/03/85/76/331038576.db2.gz VOFPWVNYTRLKMT-FPCVCCKLSA-N 0 3 294.439 2.347 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC[S@@](=O)c1ccccc1 ZINC000451676193 331038584 /nfs/dbraw/zinc/03/85/84/331038584.db2.gz SBAKBYNIXGOMIX-ZRGWGRIASA-N 0 3 279.405 2.117 20 30 CEEDHN C=C(C)CN1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000451993019 331049735 /nfs/dbraw/zinc/04/97/35/331049735.db2.gz ISUQUZAXESQMCL-HUUCEWRRSA-N 0 3 259.349 2.451 20 30 CEEDHN Cc1cccc([C@H](C)NCC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000452067945 331052820 /nfs/dbraw/zinc/05/28/20/331052820.db2.gz BBEZZIUNLYQRPC-GUYCJALGSA-N 0 3 285.391 2.454 20 30 CEEDHN C[C@H]1C[C@]1(C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000452125781 331055259 /nfs/dbraw/zinc/05/52/59/331055259.db2.gz PTDAOAQKPJIQCF-GARXJVFOSA-N 0 3 297.402 2.315 20 30 CEEDHN C[C@H](CCO)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000452690854 331072394 /nfs/dbraw/zinc/07/23/94/331072394.db2.gz YVMCPYLDUQCJAW-GOEBONIOSA-N 0 3 288.391 2.284 20 30 CEEDHN C=CCC[C@H](N[C@H](C)CC(=O)NC)c1ccco1 ZINC000453354549 331121411 /nfs/dbraw/zinc/12/14/11/331121411.db2.gz HPWQQELIAZFCBS-NEPJUHHUSA-N 0 3 250.342 2.401 20 30 CEEDHN C=C(CC)CNC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000454641566 331150319 /nfs/dbraw/zinc/15/03/19/331150319.db2.gz LKMNCVKNQVZNPY-ZIAGYGMSSA-N 0 3 267.417 2.372 20 30 CEEDHN C=C(C)CCNC(=O)N(C)C[C@H]1CCCN1CC ZINC000455317173 331165889 /nfs/dbraw/zinc/16/58/89/331165889.db2.gz WKPJTEOKETVILF-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCC1(CNC(=O)NC[C@H](C)N(C)C)CCCC1 ZINC000455449218 331170207 /nfs/dbraw/zinc/17/02/07/331170207.db2.gz RRRXESMOZLFDPC-ZDUSSCGKSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H](C)C2CCC2)CC1 ZINC000457549283 331226685 /nfs/dbraw/zinc/22/66/85/331226685.db2.gz ZPXSNBDGXQUSMN-GFCCVEGCSA-N 0 3 250.386 2.189 20 30 CEEDHN C[C@@H](CNC(=O)NCC(C)(C)CC#N)N1CCC[C@H](C)C1 ZINC000457681867 331230991 /nfs/dbraw/zinc/23/09/91/331230991.db2.gz CWUGUZSABOUCAH-KBPBESRZSA-N 0 3 294.443 2.346 20 30 CEEDHN C=CCOCC(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000458186919 331244587 /nfs/dbraw/zinc/24/45/87/331244587.db2.gz AGIHWWPLUUAFNB-UHFFFAOYSA-N 0 3 292.379 2.077 20 30 CEEDHN C=CCCCCNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458651784 331255673 /nfs/dbraw/zinc/25/56/73/331255673.db2.gz AIPPNBOBQUTZSC-CQSZACIVSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N(C)CCN(C)C1CC1 ZINC000458812726 331261055 /nfs/dbraw/zinc/26/10/55/331261055.db2.gz RBXCABNQTHWRFF-UHFFFAOYSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCOc1ccc(CN2C[C@H](OC)[C@@H](OC)C2)cc1 ZINC000488550177 332016879 /nfs/dbraw/zinc/01/68/79/332016879.db2.gz WRULHVBMSWMFGO-HOTGVXAUSA-N 0 3 277.364 2.097 20 30 CEEDHN C=CCCCS(=O)(=O)N(C)[C@H]1CCN(CC)[C@@H](C)C1 ZINC000489507148 332057325 /nfs/dbraw/zinc/05/73/25/332057325.db2.gz IBILPBRQZIUBCG-KBPBESRZSA-N 0 3 288.457 2.087 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)C1(C)CCCC1 ZINC000489829602 332069685 /nfs/dbraw/zinc/06/96/85/332069685.db2.gz LGQPUOXIVXHMIN-ZDUSSCGKSA-N 0 3 265.401 2.259 20 30 CEEDHN C#CCN(CC#CC)C(=O)Nc1cccc(CN(C)C)c1 ZINC000490678249 332102947 /nfs/dbraw/zinc/10/29/47/332102947.db2.gz MSSAOLLGJDPFIJ-UHFFFAOYSA-N 0 3 283.375 2.239 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@@H](SC)C(C)(C)C)CC1 ZINC000490933610 332130366 /nfs/dbraw/zinc/13/03/66/332130366.db2.gz FEIJHFNGFUSUFS-CQSZACIVSA-N 0 3 296.480 2.226 20 30 CEEDHN C#CCN(CC1CCS(=O)(=O)CC1)C1CCCCC1 ZINC000491127980 332154597 /nfs/dbraw/zinc/15/45/97/332154597.db2.gz YPTQZEYSIZZEMY-UHFFFAOYSA-N 0 3 283.437 2.079 20 30 CEEDHN C#CCNC(=O)CCN1CCC(F)(c2ccccc2)CC1 ZINC000491165611 332159687 /nfs/dbraw/zinc/15/96/87/332159687.db2.gz MAUJQOPMRNZKPH-UHFFFAOYSA-N 0 3 288.366 2.087 20 30 CEEDHN C#CCNC(=O)C1CCN(c2ccnc3ccccc32)CC1 ZINC000491192845 332163276 /nfs/dbraw/zinc/16/32/76/332163276.db2.gz SNTNEZMIJJMEIA-UHFFFAOYSA-N 0 3 293.370 2.201 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCc1cc2ccccc2o1 ZINC000491231453 332170895 /nfs/dbraw/zinc/17/08/95/332170895.db2.gz UATYZMWMEAGJHX-UHFFFAOYSA-N 0 3 298.386 2.437 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@@H](C)c2ccccc21 ZINC000491340322 332193555 /nfs/dbraw/zinc/19/35/55/332193555.db2.gz XASBRDLWCLROJZ-CQSZACIVSA-N 0 3 285.391 2.275 20 30 CEEDHN C#CCNC(=O)CCNCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000491426504 332209134 /nfs/dbraw/zinc/20/91/34/332209134.db2.gz GKKZHFRSXGHXEI-UHFFFAOYSA-N 0 3 297.402 2.322 20 30 CEEDHN C#CCNC(=O)CCNCc1ccc(C(C)(F)F)cc1 ZINC000491441949 332212580 /nfs/dbraw/zinc/21/25/80/332212580.db2.gz YKSSZWKSIXSJAJ-UHFFFAOYSA-N 0 3 280.318 2.027 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000491464777 332217001 /nfs/dbraw/zinc/21/70/01/332217001.db2.gz SXZXEPHKUKUNPG-CABCVRRESA-N 0 3 279.428 2.160 20 30 CEEDHN C#C[C@H](N[C@H]1CCN(CCOC)C1)c1ccc(Cl)cc1 ZINC000491484409 332219696 /nfs/dbraw/zinc/21/96/96/332219696.db2.gz ITWRJAWLPSCKDF-HOTGVXAUSA-N 0 3 292.810 2.325 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000491513768 332226283 /nfs/dbraw/zinc/22/62/83/332226283.db2.gz DXTWHLRSRRDAAJ-CABCVRRESA-N 0 3 287.407 2.170 20 30 CEEDHN C#C[C@H](CC)NCc1ccc(OCc2noc(C)n2)cc1 ZINC000491538169 332232916 /nfs/dbraw/zinc/23/29/16/332232916.db2.gz XFORUJRELOMFGB-CQSZACIVSA-N 0 3 285.347 2.458 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H](CC(C)C)C1 ZINC000491615581 332242984 /nfs/dbraw/zinc/24/29/84/332242984.db2.gz FMOZIJQNPDJFSF-HNNXBMFYSA-N 0 3 279.428 2.019 20 30 CEEDHN C#CCN(C)CCCNC(=O)CC(C)(C)C(F)(F)F ZINC000491617663 332244512 /nfs/dbraw/zinc/24/45/12/332244512.db2.gz CETSFHCBKAWBIW-UHFFFAOYSA-N 0 3 278.318 2.036 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1c(C)oc2ccccc21 ZINC000491631545 332253797 /nfs/dbraw/zinc/25/37/97/332253797.db2.gz YLVBEDGKSJGRGL-UHFFFAOYSA-N 0 3 284.359 2.426 20 30 CEEDHN C#CCNN=C1CCN(Cc2ccccc2)C[C@H]1C ZINC000491634317 332255699 /nfs/dbraw/zinc/25/56/99/332255699.db2.gz SLTJGQXGXNKICM-CQSZACIVSA-N 0 3 255.365 2.107 20 30 CEEDHN C#CCN1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000491641122 332260862 /nfs/dbraw/zinc/26/08/62/332260862.db2.gz ZNWGDCOBIZVHFO-ZDUSSCGKSA-N 0 3 251.370 2.454 20 30 CEEDHN C#CCNC(=O)CCN[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000491658592 332269583 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526581459 /nfs/dbraw/zinc/58/14/59/526581459.db2.gz OGQNJZXCIKLRAC-UHFFFAOYSA-N 0 3 282.453 2.286 20 30 CEEDHN C=C(C)COCCNC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000354488023 526640713 /nfs/dbraw/zinc/64/07/13/526640713.db2.gz ZGGGPAMLWKNOMK-HUUCEWRRSA-N 0 3 297.443 2.141 20 30 CEEDHN C=C(C)COCCNCc1ccccc1C(=O)N(C)C ZINC000417931472 526654047 /nfs/dbraw/zinc/65/40/47/526654047.db2.gz LAPDSXXLARPHOD-UHFFFAOYSA-N 0 3 276.380 2.071 20 30 CEEDHN C=CCOCCCC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344720654 526732986 /nfs/dbraw/zinc/73/29/86/526732986.db2.gz ZRJFGDYJWZODKG-HNNXBMFYSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CC1CCN(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000336039574 526969576 /nfs/dbraw/zinc/96/95/76/526969576.db2.gz CXXFMHOXMYLXMA-DOMZBBRYSA-N 0 3 277.412 2.077 20 30 CEEDHN C#CCOc1ccc(CNC[C@H]2CCCCO2)cc1 ZINC000113328356 527105458 /nfs/dbraw/zinc/10/54/58/527105458.db2.gz JEHZIBAVEDMLCB-MRXNPFEDSA-N 0 3 259.349 2.357 20 30 CEEDHN C=CCCCCCN1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000367136561 527131798 /nfs/dbraw/zinc/13/17/98/527131798.db2.gz AWCCILGBUPFOJL-CQSZACIVSA-N 0 3 288.457 2.089 20 30 CEEDHN C=CCCCCNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000353336877 527147284 /nfs/dbraw/zinc/14/72/84/527147284.db2.gz OXWIPRBCGNEJOH-CQSZACIVSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCCCCNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000353308178 527149513 /nfs/dbraw/zinc/14/95/13/527149513.db2.gz AUUFOHVUYQJGOO-KGLIPLIRSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCCCNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000344565380 527224395 /nfs/dbraw/zinc/22/43/95/527224395.db2.gz PGRNKCDXOZZPJD-AWEZNQCLSA-N 0 3 250.386 2.476 20 30 CEEDHN C=CCn1c(C2CC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000350805338 527306126 /nfs/dbraw/zinc/30/61/26/527306126.db2.gz ZTSJTOFOLBMIEO-QWHCGFSZSA-N 0 3 289.427 2.260 20 30 CEEDHN C=CCC[C@@H](NC[C@H](O)COCC)c1ccco1 ZINC000353519010 527450076 /nfs/dbraw/zinc/45/00/76/527450076.db2.gz LUTSVVBBBRCPOS-QWHCGFSZSA-N 0 3 253.342 2.274 20 30 CEEDHN CCN1CCN(c2ccccc2CNCCCC#N)CC1 ZINC000344341340 527710898 /nfs/dbraw/zinc/71/08/98/527710898.db2.gz BWEYFBMGIHGTAV-UHFFFAOYSA-N 0 3 286.423 2.222 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)NCc1nc2cccnc2[nH]1 ZINC000330077024 528228101 /nfs/dbraw/zinc/22/81/01/528228101.db2.gz HGSPFPTYEVWQDC-LBPRGKRZSA-N 0 3 287.367 2.289 20 30 CEEDHN CCOc1cc(CCCNC(=O)C(C)C#N)ccc1OC ZINC000347107820 528257494 /nfs/dbraw/zinc/25/74/94/528257494.db2.gz KMKJCHAXEAIFRI-LBPRGKRZSA-N 0 3 290.363 2.302 20 30 CEEDHN CCN(CCC1CC1)CC(=O)N(CC)C[C@@H](C)C#N ZINC000355056404 528423912 /nfs/dbraw/zinc/42/39/12/528423912.db2.gz KHAFRHCFJZJFMU-ZDUSSCGKSA-N 0 3 265.401 2.117 20 30 CEEDHN CCN(CCOc1cccc(C#N)c1)C[C@@H]1CCCO1 ZINC000048954072 528573869 /nfs/dbraw/zinc/57/38/69/528573869.db2.gz IPRQYRKKVGYGKQ-INIZCTEOSA-N 0 3 274.364 2.438 20 30 CEEDHN CCOc1ccc2c(c1)CCN(C(=O)C(C)C#N)C2 ZINC000334640817 528617509 /nfs/dbraw/zinc/61/75/09/528617509.db2.gz HFSMFEMPBDLHOU-LLVKDONJSA-N 0 3 258.321 2.130 20 30 CEEDHN CC(C)N1CCC[C@@H](NC(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000333667043 529017458 /nfs/dbraw/zinc/01/74/58/529017458.db2.gz IBCAELSMLZZRLZ-PBHICJAKSA-N 0 3 289.423 2.449 20 30 CEEDHN CCN1CCN(Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000352700793 529149034 /nfs/dbraw/zinc/14/90/34/529149034.db2.gz UUNDDUBQEJSGHK-CQSZACIVSA-N 0 3 257.381 2.279 20 30 CEEDHN CC[C@H](CC#N)N[C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000354642598 529301337 /nfs/dbraw/zinc/30/13/37/529301337.db2.gz FBPXURVSMCSLIT-YVECIDJPSA-N 0 3 252.358 2.246 20 30 CEEDHN C#Cc1cccc(NC(=S)N[C@@H]2CCCN(C)C2)c1 ZINC000726473961 574426896 /nfs/dbraw/zinc/42/68/96/574426896.db2.gz XSTSXUZYZIXUHP-CQSZACIVSA-N 0 3 273.405 2.049 20 30 CEEDHN Cc1nccn1CCNCc1ccc(O[C@H](C)C#N)cc1 ZINC000728712061 574468790 /nfs/dbraw/zinc/46/87/90/574468790.db2.gz ULHVVXYVVPZDCL-CYBMUJFWSA-N 0 3 284.363 2.272 20 30 CEEDHN C#CCCN1CCC(NC(=O)Cc2ccc(C)cc2)CC1 ZINC000740737794 574478482 /nfs/dbraw/zinc/47/84/82/574478482.db2.gz XFBPICOECYDDOK-UHFFFAOYSA-N 0 3 284.403 2.141 20 30 CEEDHN C=CCNC(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000729581608 574489596 /nfs/dbraw/zinc/48/95/96/574489596.db2.gz ORSUGNAEXNFDTD-UHFFFAOYSA-N 0 3 261.369 2.076 20 30 CEEDHN C=C(CN(C)C)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000764537225 574598727 /nfs/dbraw/zinc/59/87/27/574598727.db2.gz AAMXWPYWCDQVBS-RDBSUJKOSA-N 0 3 250.386 2.284 20 30 CEEDHN CN(C(=O)/C=C\c1ccccc1C#N)[C@@H]1CN2CCC1CC2 ZINC000732160397 574614242 /nfs/dbraw/zinc/61/42/42/574614242.db2.gz PGTFRJCGJKMVHL-JTGQJZMRSA-N 0 3 295.386 2.124 20 30 CEEDHN C=CCN(C(=O)NC[C@H]1CCCCN1CC)C(C)C ZINC000732472031 574622097 /nfs/dbraw/zinc/62/20/97/574622097.db2.gz VQBBGTNRMDOWEQ-CQSZACIVSA-N 0 3 267.417 2.467 20 30 CEEDHN N#CC(C(=O)NC1CCCCC1)C(=O)C1CCSCC1 ZINC000733053581 574640489 /nfs/dbraw/zinc/64/04/89/574640489.db2.gz OFTONYWKLDSTPS-ZDUSSCGKSA-N 0 3 294.420 2.287 20 30 CEEDHN C=CC[C@@H](C)NC(=O)NC[C@H](C)N1CCCCC1 ZINC000735187231 574746733 /nfs/dbraw/zinc/74/67/33/574746733.db2.gz MMIPHNHDLUMFOT-OLZOCXBDSA-N 0 3 253.390 2.125 20 30 CEEDHN C#CCCN1CCC(NC(=O)CCC(C)C)CC1 ZINC000740737731 574967127 /nfs/dbraw/zinc/96/71/27/574967127.db2.gz USCAAXZUFSRUSD-UHFFFAOYSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@@]2(C)c2ccccc2)CC1 ZINC000741640407 574993072 /nfs/dbraw/zinc/99/30/72/574993072.db2.gz BNTROMCCWICZRO-HKUYNNGSSA-N 0 3 296.414 2.178 20 30 CEEDHN Cc1cc(N[C@@H](C)c2cccc(C#N)c2)nc(N)n1 ZINC000743459595 575104546 /nfs/dbraw/zinc/10/45/46/575104546.db2.gz GFZAWAWLZDMSAU-JTQLQIEISA-N 0 3 253.309 2.412 20 30 CEEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CC1)c1cccc(Cl)c1 ZINC000744030581 575112413 /nfs/dbraw/zinc/11/24/13/575112413.db2.gz IBLHJSPWLHIHMB-TVQRCGJNSA-N 0 3 290.750 2.431 20 30 CEEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1Cc2ccccc21 ZINC000744027307 575112422 /nfs/dbraw/zinc/11/24/22/575112422.db2.gz PNEABEUTTPHPEZ-CVEARBPZSA-N 0 3 296.370 2.484 20 30 CEEDHN Cc1cccc(CN(CC(=O)NCCC#N)CC(C)C)c1 ZINC000746154932 575150174 /nfs/dbraw/zinc/15/01/74/575150174.db2.gz XYKRQERHRFLPLY-UHFFFAOYSA-N 0 3 287.407 2.483 20 30 CEEDHN CCCNN=C(C)c1ccc(OCCN(C)C)cc1 ZINC000748132886 575178887 /nfs/dbraw/zinc/17/88/87/575178887.db2.gz GLLIVZYJMOUWHM-UHFFFAOYSA-N 0 3 263.385 2.351 20 30 CEEDHN C#CCN(CC)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000749155088 575207512 /nfs/dbraw/zinc/20/75/12/575207512.db2.gz LUIYQQRRUFDGFM-ZDUSSCGKSA-N 0 3 266.385 2.199 20 30 CEEDHN C#CCN1CCC[C@H]1C(=O)Nc1cc(CN(C)C)ccc1C ZINC000748761792 575194298 /nfs/dbraw/zinc/19/42/98/575194298.db2.gz SRYQDQXLYOASSX-KRWDZBQOSA-N 0 3 299.418 2.093 20 30 CEEDHN Cc1cccnc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000750683648 575271926 /nfs/dbraw/zinc/27/19/26/575271926.db2.gz HXWCDHPEYZEMPQ-CYBMUJFWSA-N 0 3 279.299 2.351 20 30 CEEDHN CCCCCCCCN(C)CCN1CCCS1(=O)=O ZINC000752083337 575304990 /nfs/dbraw/zinc/30/49/90/575304990.db2.gz LAPJOCMYMHFTOH-UHFFFAOYSA-N 0 3 290.473 2.314 20 30 CEEDHN C=C(CN(C)C)C(=O)N[C@H](COC)c1cccc(Cl)c1 ZINC000752924660 575316388 /nfs/dbraw/zinc/31/63/88/575316388.db2.gz CDTSVCSZPVQONQ-CQSZACIVSA-N 0 3 296.798 2.262 20 30 CEEDHN N=C(N)NN=Cc1cc(C(F)(F)F)ccc1Cl ZINC000753696688 575335771 /nfs/dbraw/zinc/33/57/71/575335771.db2.gz JNGGNKRTCKJCLN-UHFFFAOYSA-N 0 3 264.638 2.176 20 30 CEEDHN C#CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000823845681 608032499 /nfs/dbraw/zinc/03/24/99/608032499.db2.gz WPWBRWBKZAXFTG-UHFFFAOYSA-N 0 3 283.379 2.348 20 30 CEEDHN C#CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000823845681 608032500 /nfs/dbraw/zinc/03/25/00/608032500.db2.gz WPWBRWBKZAXFTG-UHFFFAOYSA-N 0 3 283.379 2.348 20 30 CEEDHN C#CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000823845681 608032501 /nfs/dbraw/zinc/03/25/01/608032501.db2.gz WPWBRWBKZAXFTG-UHFFFAOYSA-N 0 3 283.379 2.348 20 30 CEEDHN C#CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000823845681 608032502 /nfs/dbraw/zinc/03/25/02/608032502.db2.gz WPWBRWBKZAXFTG-UHFFFAOYSA-N 0 3 283.379 2.348 20 30 CEEDHN C=C[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823882880 609149181 /nfs/dbraw/zinc/14/91/81/609149181.db2.gz FGUPELULSRAMBZ-IUCAKERBSA-N 0 3 261.304 2.231 20 30 CEEDHN C=C[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823882880 609149182 /nfs/dbraw/zinc/14/91/82/609149182.db2.gz FGUPELULSRAMBZ-IUCAKERBSA-N 0 3 261.304 2.231 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)CC(C2CCC2)C2CCC2)C1 ZINC000969978243 612960210 /nfs/dbraw/zinc/96/02/10/612960210.db2.gz RPMSNEIEZGTEIM-MRXNPFEDSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](C)c2cccc(Cl)c2)C1 ZINC000970759170 612962418 /nfs/dbraw/zinc/96/24/18/612962418.db2.gz JEJQICIPOGEYRZ-SWLSCSKDSA-N 0 3 290.794 2.267 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc(C)c(CC)s2)C1 ZINC000970662521 612964691 /nfs/dbraw/zinc/96/46/91/612964691.db2.gz VRHBJWLZSSCPGQ-GFCCVEGCSA-N 0 3 276.405 2.056 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3o2)C1 ZINC000970141301 612965271 /nfs/dbraw/zinc/96/52/71/612965271.db2.gz ZQYOTIBJJZHQQB-CYBMUJFWSA-N 0 3 286.306 2.009 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C(F)F)cc2)C1 ZINC000970267881 612965504 /nfs/dbraw/zinc/96/55/04/612965504.db2.gz JZRCOCNCCUGICF-CYBMUJFWSA-N 0 3 278.302 2.062 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CCCC23CC3)C1 ZINC000969953232 612994521 /nfs/dbraw/zinc/99/45/21/612994521.db2.gz JQHCDFOFZOFRGY-UKRRQHHQSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(CC)cc2)C1 ZINC000970832434 612995173 /nfs/dbraw/zinc/99/51/73/612995173.db2.gz HSQYBWJKEYYCKT-CQSZACIVSA-N 0 3 284.403 2.322 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccnc(C3CC3)c2)C1 ZINC000970065602 612995596 /nfs/dbraw/zinc/99/55/96/612995596.db2.gz AUNNHPLOXCNEQH-CYBMUJFWSA-N 0 3 297.402 2.032 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC000970936284 612996964 /nfs/dbraw/zinc/99/69/64/612996964.db2.gz CYGVMAGYGWWRIZ-GIOUXUJVSA-N 0 3 288.435 2.273 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2c(C)cccc2C)C1 ZINC000970473365 612997156 /nfs/dbraw/zinc/99/71/56/612997156.db2.gz MWGSGPCUYVVBCY-HNNXBMFYSA-N 0 3 284.403 2.377 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc3ccccn3c2)C1 ZINC000970525437 612997541 /nfs/dbraw/zinc/99/75/41/612997541.db2.gz GGOVMZKZBMDCDZ-AWEZNQCLSA-N 0 3 295.386 2.013 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cccc(C)c2C)C1 ZINC000970829575 612997802 /nfs/dbraw/zinc/99/78/02/612997802.db2.gz LSDIYCSQIASXHT-HNNXBMFYSA-N 0 3 284.403 2.377 20 30 CEEDHN C#CCCN1CCCN(C(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC000981783508 613003029 /nfs/dbraw/zinc/00/30/29/613003029.db2.gz JUCIISZWSVKJDR-HZPDHXFCSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1CCCN(C(=O)Cc2cccc(CC)c2)CC1 ZINC000981472743 613003201 /nfs/dbraw/zinc/00/32/01/613003201.db2.gz QNXBBOYMOJUBQX-UHFFFAOYSA-N 0 3 298.430 2.349 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000981844103 613003489 /nfs/dbraw/zinc/00/34/89/613003489.db2.gz BLVFRMIYHRDWOO-JKSUJKDBSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC000981844101 613004618 /nfs/dbraw/zinc/00/46/18/613004618.db2.gz BLVFRMIYHRDWOO-HOTGVXAUSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000982112560 613004945 /nfs/dbraw/zinc/00/49/45/613004945.db2.gz YMZQGEADDMUJTE-MSOLQXFVSA-N 0 3 296.414 2.348 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H]2CCC[C@@H]2C(F)F)CC1 ZINC000981327854 613005060 /nfs/dbraw/zinc/00/50/60/613005060.db2.gz ZROFWSKZSSDMDE-KBPBESRZSA-N 0 3 298.377 2.225 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccccc2C)C1 ZINC000968636108 613013883 /nfs/dbraw/zinc/01/38/83/613013883.db2.gz VSLFGZKUTWAAQP-AEFFLSMTSA-N 0 3 298.430 2.387 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)C[C@H]2C=CCC2)CC1 ZINC000948173474 613162014 /nfs/dbraw/zinc/16/20/14/613162014.db2.gz NMELAIMHHQZIAP-JKSUJKDBSA-N 0 3 274.408 2.289 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)C[C@@H]2C=CCC2)CC1 ZINC000948173471 613178078 /nfs/dbraw/zinc/17/80/78/613178078.db2.gz NMELAIMHHQZIAP-CVEARBPZSA-N 0 3 274.408 2.289 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2[nH]c(C)cc2C)CC1 ZINC000948556083 613178929 /nfs/dbraw/zinc/17/89/29/613178929.db2.gz CNODLNKLFBQAOT-HNNXBMFYSA-N 0 3 287.407 2.191 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cncc(CC)c2)CC1 ZINC000948621660 613179468 /nfs/dbraw/zinc/17/94/68/613179468.db2.gz TZFDQNFEUNPCHX-KRWDZBQOSA-N 0 3 299.418 2.204 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(C)cc2)C[C@@H]1C ZINC000947520542 613226420 /nfs/dbraw/zinc/22/64/20/613226420.db2.gz PBDNKOTVFQXMTQ-DOTOQJQBSA-N 0 3 284.403 2.140 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2c[nH]c3ccccc23)C[C@H]1C ZINC000947511594 613231547 /nfs/dbraw/zinc/23/15/47/613231547.db2.gz PSRSLPHIJZQXCX-ZIAGYGMSSA-N 0 3 295.386 2.384 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc[nH]c2C2CCC2)[C@@H](C)C1 ZINC000942820849 613234236 /nfs/dbraw/zinc/23/42/36/613234236.db2.gz AQGGDCPSAKJMRI-XJKSGUPXSA-N 0 3 299.418 2.356 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(F)cc2C)C[C@H]1C ZINC000947951897 613235813 /nfs/dbraw/zinc/23/58/13/613235813.db2.gz FXSSYXLBXUGZFD-UKRRQHHQSA-N 0 3 288.366 2.350 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)[C@@H](C)C1 ZINC000943178385 613236270 /nfs/dbraw/zinc/23/62/70/613236270.db2.gz SOLTVWDFTYTFHC-XJKSGUPXSA-N 0 3 295.386 2.241 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(F)c2)C[C@@H]1C ZINC000947000539 613237312 /nfs/dbraw/zinc/23/73/12/613237312.db2.gz IIDNGVKNRCGYQG-SWLSCSKDSA-N 0 3 274.339 2.042 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2CC(C)(C)C2)C[C@H]1C ZINC000947271124 613258002 /nfs/dbraw/zinc/25/80/02/613258002.db2.gz CTADKMDWWIPBHI-OCCSQVGLSA-N 0 3 262.397 2.025 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cc(F)ccc2C)[C@H](C)C1 ZINC000942538425 613267296 /nfs/dbraw/zinc/26/72/96/613267296.db2.gz POCFLPWSQPBZRF-CJNGLKHVSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cc[nH]c2C2CCC2)[C@@H](C)C1 ZINC000942820846 613267991 /nfs/dbraw/zinc/26/79/91/613267991.db2.gz AQGGDCPSAKJMRI-BBRMVZONSA-N 0 3 299.418 2.356 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cc[nH]c2C(C)C)C[C@@H]1C ZINC000947638326 613268062 /nfs/dbraw/zinc/26/80/62/613268062.db2.gz CEKHKVAPGAWFIY-KBPBESRZSA-N 0 3 287.407 2.354 20 30 CEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@@]3(C)C=CCC3)C[C@]2(C)C1 ZINC000982452627 613293273 /nfs/dbraw/zinc/29/32/73/613293273.db2.gz SJCXNDJVOVVQIQ-OKZBNKHCSA-N 0 3 286.419 2.146 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC000969810340 613298843 /nfs/dbraw/zinc/29/88/43/613298843.db2.gz VGINFKVZIQEOJE-NEPJUHHUSA-N 0 3 286.366 2.434 20 30 CEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3ncoc3C)C2)C1 ZINC000981649054 613306262 /nfs/dbraw/zinc/30/62/62/613306262.db2.gz NSQIIUCWMITTGU-UHFFFAOYSA-N 0 3 289.379 2.097 20 30 CEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1n[nH]cc1F ZINC000969017395 613307311 /nfs/dbraw/zinc/30/73/11/613307311.db2.gz LFXOJNZISUVPPZ-LBPRGKRZSA-N 0 3 294.374 2.099 20 30 CEEDHN C=C(C)CN1CCCN(C(=O)CC2CCC2)CC1 ZINC000980901570 613308353 /nfs/dbraw/zinc/30/83/53/613308353.db2.gz VARSJKCETYXQOP-UHFFFAOYSA-N 0 3 250.386 2.287 20 30 CEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cc2cccnc2)C1 ZINC000965905455 613323667 /nfs/dbraw/zinc/32/36/67/613323667.db2.gz GYSYOLRFFWBCBG-ZBFHGGJFSA-N 0 3 287.407 2.027 20 30 CEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC000966228340 613324219 /nfs/dbraw/zinc/32/42/19/613324219.db2.gz AMRVFGQVUDGOTA-OCCSQVGLSA-N 0 3 261.369 2.031 20 30 CEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC000965974316 613325295 /nfs/dbraw/zinc/32/52/95/613325295.db2.gz KUROEDHCXFUREE-TZMCWYRMSA-N 0 3 275.396 2.339 20 30 CEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccn(C)c2)C1 ZINC000965900245 613326057 /nfs/dbraw/zinc/32/60/57/613326057.db2.gz KDSUHIPOLAFUJT-UKRRQHHQSA-N 0 3 275.396 2.041 20 30 CEEDHN C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC000941836168 613329808 /nfs/dbraw/zinc/32/98/08/613329808.db2.gz HNRAGTRNWIZZPH-DZGCQCFKSA-N 0 3 288.391 2.409 20 30 CEEDHN C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC000941836168 613329809 /nfs/dbraw/zinc/32/98/09/613329809.db2.gz HNRAGTRNWIZZPH-DZGCQCFKSA-N 0 3 288.391 2.409 20 30 CEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C2CCC2)C1 ZINC000964612001 613333240 /nfs/dbraw/zinc/33/32/40/613333240.db2.gz BBFCMRUXQXKENE-GXTWGEPZSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)CC2=CCOCC2)C1 ZINC000968178037 613333958 /nfs/dbraw/zinc/33/39/58/613333958.db2.gz RCRDULXWLLATBM-GOEBONIOSA-N 0 3 292.423 2.126 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cncs2)C(C)(C)C1 ZINC000974696654 613337760 /nfs/dbraw/zinc/33/77/60/613337760.db2.gz KRROQZQUMXPFJK-CYBMUJFWSA-N 0 3 293.436 2.088 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)C2CC(F)(F)C2)C(C)(C)C1 ZINC000973014275 613341135 /nfs/dbraw/zinc/34/11/35/613341135.db2.gz AYJRKAYYLXYUII-LBPRGKRZSA-N 0 3 286.366 2.434 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)C[C@H]2CCCCO2)C(C)(C)C1 ZINC000973025141 613341336 /nfs/dbraw/zinc/34/13/36/613341336.db2.gz NQYPBYNZFLOLSI-CABCVRRESA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2[nH]c(C)nc2C)C(C)(C)C1 ZINC000975044459 613342045 /nfs/dbraw/zinc/34/20/45/613342045.db2.gz AYLCHFQLYIJMSH-ZDUSSCGKSA-N 0 3 290.411 2.043 20 30 CEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(C)C)no1 ZINC000961934637 613345410 /nfs/dbraw/zinc/34/54/10/613345410.db2.gz QQOBRKJVDBWXAL-JYAVWHMHSA-N 0 3 289.379 2.034 20 30 CEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccon1 ZINC000960253906 613350493 /nfs/dbraw/zinc/35/04/93/613350493.db2.gz ZXZFHZGIPRWRDI-HZPDHXFCSA-N 0 3 297.358 2.236 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCC2(CC1)CN(C(C)C)CCO2 ZINC000949433199 613429837 /nfs/dbraw/zinc/42/98/37/613429837.db2.gz IFMJVFFOWPGDTL-UHFFFAOYSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(CC)CC[C@H]1C ZINC000966694741 613438051 /nfs/dbraw/zinc/43/80/51/613438051.db2.gz NWWPKTCGCWXPLQ-ZIAGYGMSSA-N 0 3 275.396 2.134 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2cc(C(F)F)n[nH]2)CC1 ZINC000981931316 613496702 /nfs/dbraw/zinc/49/67/02/613496702.db2.gz YDUPBMNXRGNUFJ-UHFFFAOYSA-N 0 3 298.337 2.071 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC000981899942 613497172 /nfs/dbraw/zinc/49/71/72/613497172.db2.gz MRKAEHOJAUYPPD-UHFFFAOYSA-N 0 3 281.787 2.392 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2ccn3ccnc3c2)CC1 ZINC000981609024 613497181 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CC#CCN1CC[C@@H](NC(=O)c2oc(C)cc2C)[C@@H](C)C1 ZINC000941933460 613589837 /nfs/dbraw/zinc/58/98/37/613589837.db2.gz AYJZLZRZPPUGJM-DZGCQCFKSA-N 0 3 288.391 2.360 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)C2(C)CC2)C(C)(C)C1 ZINC000940767035 613595262 /nfs/dbraw/zinc/59/52/62/613595262.db2.gz CMCZYRIEXKUDNP-ZDUSSCGKSA-N 0 3 262.397 2.027 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)co2)C[C@H]1C ZINC000947630068 613600935 /nfs/dbraw/zinc/60/09/35/613600935.db2.gz UJSUNGAHWDDVQH-KGLIPLIRSA-N 0 3 274.364 2.194 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)cc(C)n2)[C@@H](C)C1 ZINC000942207072 613601369 /nfs/dbraw/zinc/60/13/69/613601369.db2.gz JCAKIAZWQDGWLG-HOCLYGCPSA-N 0 3 299.418 2.162 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2cc[nH]c2C2CC2)C[C@@H]1C ZINC000947663207 613601579 /nfs/dbraw/zinc/60/15/79/613601579.db2.gz RPXLFNZFNXKUSG-ZFWWWQNUSA-N 0 3 299.418 2.498 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2ccoc2CC)C[C@H]1C ZINC000947266291 613604465 /nfs/dbraw/zinc/60/44/65/613604465.db2.gz RWAPAXNKZNUALB-KGLIPLIRSA-N 0 3 288.391 2.448 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2ccoc2C)[C@H](C)C1 ZINC000941789520 613604730 /nfs/dbraw/zinc/60/47/30/613604730.db2.gz KTGIGYVYZLAAHN-DOMZBBRYSA-N 0 3 274.364 2.052 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)Cc2ccc(F)cc2F)C1 ZINC000971577102 613613181 /nfs/dbraw/zinc/61/31/81/613613181.db2.gz WRFZZQXZBOMPOH-CQSZACIVSA-N 0 3 294.345 2.226 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)c2c(C)noc2C)C1 ZINC000972542093 613614814 /nfs/dbraw/zinc/61/48/14/613614814.db2.gz VMOMSSPIKIONBW-SMDDNHRTSA-N 0 3 291.395 2.114 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](F)Cc2ccccc2)C1 ZINC000980465078 613614884 /nfs/dbraw/zinc/61/48/84/613614884.db2.gz FPCJZYGPZILUPG-CVEARBPZSA-N 0 3 290.382 2.286 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H](F)c2ccccc2)C1 ZINC000972432853 613615161 /nfs/dbraw/zinc/61/51/61/613615161.db2.gz HOXSZQAFGGKPMG-CABCVRRESA-N 0 3 276.355 2.416 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC000971999640 613617049 /nfs/dbraw/zinc/61/70/49/613617049.db2.gz DEIXNFCWVQJMOS-HLPPOEQASA-N 0 3 262.397 2.141 20 30 CEEDHN CC#CCN1C[C@]2(C)CN(C(=O)c3cc[nH]c3C)C[C@]2(C)C1 ZINC000982252564 613617334 /nfs/dbraw/zinc/61/73/34/613617334.db2.gz SLMNUTWQFUCSCE-HDICACEKSA-N 0 3 299.418 2.130 20 30 CEEDHN CC#CCN1C[C@]2(C)CN(C(=O)C3CC(C)C3)C[C@]2(C)C1 ZINC000982253691 613617524 /nfs/dbraw/zinc/61/75/24/613617524.db2.gz PEENXBBCWPQDSQ-SAJCDORXSA-N 0 3 288.435 2.226 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@](C)(C=C)CC)C1 ZINC000972231373 613617548 /nfs/dbraw/zinc/61/75/48/613617548.db2.gz DXDIJJKPTMGYQF-UKRRQHHQSA-N 0 3 250.386 2.307 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2sc(C)nc2C)C1 ZINC000980348472 613625741 /nfs/dbraw/zinc/62/57/41/613625741.db2.gz AGWXFEPVXMDNBS-GFCCVEGCSA-N 0 3 279.409 2.092 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)C2(C)CC(F)(F)C2)C1 ZINC000972709385 613626619 /nfs/dbraw/zinc/62/66/19/613626619.db2.gz ZMSZLPOOUYEKBD-NSHDSACASA-N 0 3 272.339 2.141 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000970996679 613626964 /nfs/dbraw/zinc/62/69/64/613626964.db2.gz KNRGZPYMOWFMJI-AWEZNQCLSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)C2CCC(F)CC2)C1 ZINC000972249618 613627026 /nfs/dbraw/zinc/62/70/26/613627026.db2.gz QLSMKSFXUHXDDS-RUXDESIVSA-N 0 3 268.376 2.233 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@H](C)c2cccnc2)C1 ZINC000972477063 613628977 /nfs/dbraw/zinc/62/89/77/613628977.db2.gz HMNKMMFRUVETMK-HOCLYGCPSA-N 0 3 287.407 2.294 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC000972179565 613632254 /nfs/dbraw/zinc/63/22/54/613632254.db2.gz NWMSMSGATOTLDS-GOEBONIOSA-N 0 3 288.366 2.184 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(F)ccc2F)C1 ZINC000971681544 613635803 /nfs/dbraw/zinc/63/58/03/613635803.db2.gz DPXOVHFWNJCFKF-LBPRGKRZSA-N 0 3 280.318 2.297 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(OC)cs2)C1 ZINC000972062662 613636003 /nfs/dbraw/zinc/63/60/03/613636003.db2.gz DAFAUQNSFMLWDR-NSHDSACASA-N 0 3 280.393 2.089 20 30 CEEDHN C=CCN1CCC2(CC1)CN(C(=O)CC1(C)CC1)CCO2 ZINC000949141419 613676791 /nfs/dbraw/zinc/67/67/91/613676791.db2.gz AYRMGFIZKKGWNB-UHFFFAOYSA-N 0 3 292.423 2.056 20 30 CEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](C)C(C)C)CCO2 ZINC000949204767 613676935 /nfs/dbraw/zinc/67/69/35/613676935.db2.gz LWNCJXUZXURBNI-OAHLLOKOSA-N 0 3 294.439 2.158 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)C3(C)CC(=C)C3)C2)C1 ZINC000981997811 613677628 /nfs/dbraw/zinc/67/76/28/613677628.db2.gz JYJVIPVXUJJNRA-UHFFFAOYSA-N 0 3 274.408 2.453 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)[C@H](C)c3ccco3)C2)C1 ZINC000982008597 613679995 /nfs/dbraw/zinc/67/99/95/613679995.db2.gz JRRJEDCBUSPDDN-CQSZACIVSA-N 0 3 288.391 2.494 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)c3coc(C)c3)C2)C1 ZINC000981733270 613682412 /nfs/dbraw/zinc/68/24/12/613682412.db2.gz LFYPPNVDWSNCNV-UHFFFAOYSA-N 0 3 274.364 2.312 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)c3cnc(C)s3)C2)C1 ZINC000981658815 613682483 /nfs/dbraw/zinc/68/24/83/613682483.db2.gz VNMBBGHYRGKENJ-UHFFFAOYSA-N 0 3 291.420 2.176 20 30 CEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccoc1 ZINC000968753693 613684677 /nfs/dbraw/zinc/68/46/77/613684677.db2.gz QRWVSLNXJQRKGP-CQSZACIVSA-N 0 3 262.353 2.440 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC000941178307 613740279 /nfs/dbraw/zinc/74/02/79/613740279.db2.gz VXGAGMRQLQWPFH-GFCCVEGCSA-N 0 3 252.402 2.435 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2c[nH]nc2CCC)C[C@@H]1C ZINC000947480297 613748327 /nfs/dbraw/zinc/74/83/27/613748327.db2.gz XGUFIJIDESAKTK-QWHCGFSZSA-N 0 3 290.411 2.131 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3c[nH]nc32)C[C@@H]1C ZINC000947607049 613754287 /nfs/dbraw/zinc/75/42/87/613754287.db2.gz JGRUHAJKSINANN-GXTWGEPZSA-N 0 3 298.390 2.332 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2ncccc2C)C[C@@H]1C ZINC000947156734 613761504 /nfs/dbraw/zinc/76/15/04/613761504.db2.gz HVTADAYRUNWDKR-UONOGXRCSA-N 0 3 273.380 2.159 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2ncoc2C2CC2)[C@H](C)C1 ZINC000944014048 613762122 /nfs/dbraw/zinc/76/21/22/613762122.db2.gz CORGKKZAXWRGBH-DGCLKSJQSA-N 0 3 289.379 2.178 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(C)C)no2)[C@H](C)C1 ZINC000943301657 613786794 /nfs/dbraw/zinc/78/67/94/613786794.db2.gz BRZWJZXKHZJIGE-OLZOCXBDSA-N 0 3 291.395 2.424 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C3CC3)on2)[C@H](C)C1 ZINC000942542396 613788481 /nfs/dbraw/zinc/78/84/81/613788481.db2.gz DZEDUOHBJYKAKF-YPMHNXCESA-N 0 3 289.379 2.178 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc(CC)ccn2)[C@H](C)C1 ZINC000942075780 613788590 /nfs/dbraw/zinc/78/85/90/613788590.db2.gz HALVKHYJTFSOMK-HIFRSBDPSA-N 0 3 287.407 2.270 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cnccc2C)C[C@@H]1C ZINC000947156844 613796618 /nfs/dbraw/zinc/79/66/18/613796618.db2.gz JLDVECSLTVTZRD-KBPBESRZSA-N 0 3 273.380 2.159 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ncc(F)cc2F)C[C@@H]1C ZINC000947445734 613800459 /nfs/dbraw/zinc/80/04/59/613800459.db2.gz NVNKAWLQIRLGBF-JQWIXIFHSA-N 0 3 295.333 2.129 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ncoc2C2CC2)C[C@H]1C ZINC000947896258 613801140 /nfs/dbraw/zinc/80/11/40/613801140.db2.gz 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ZINC000960347369 613857017 /nfs/dbraw/zinc/85/70/17/613857017.db2.gz KXERZNKDOYCAKK-MRXNPFEDSA-N 0 3 271.364 2.001 20 30 CEEDHN CCC(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000970903817 614638500 /nfs/dbraw/zinc/63/85/00/614638500.db2.gz ILCYTJHGNKIWKQ-OAHLLOKOSA-N 0 3 271.364 2.001 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1CC=CC1 ZINC001024367878 625533223 /nfs/dbraw/zinc/53/32/23/625533223.db2.gz PBPJCYWCHRRBDR-OAHLLOKOSA-N 0 3 262.397 2.499 20 30 CEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001024475743 625572541 /nfs/dbraw/zinc/57/25/41/625572541.db2.gz WYJTWXPKNYRLBZ-HNNXBMFYSA-N 0 3 299.418 2.500 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001020428598 622577042 /nfs/dbraw/zinc/57/70/42/622577042.db2.gz JYTOMDLQDYGYDO-KYAIUCCOSA-N 0 3 282.815 2.412 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H](NCC(=C)Cl)C2)cc1 ZINC001020456399 622620671 /nfs/dbraw/zinc/62/06/71/622620671.db2.gz NZAZOCCWFDPVIR-SHTZXODSSA-N 0 3 288.778 2.271 20 30 CEEDHN 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/nfs/dbraw/zinc/41/57/92/630415792.db2.gz ZWVPIMBZMKTISV-ZDUSSCGKSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCC1(O)CCN([C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000896060251 630451667 /nfs/dbraw/zinc/45/16/67/630451667.db2.gz IGPLWRUVKZEKTB-UONOGXRCSA-N 0 3 299.386 2.023 20 30 CEEDHN CCO[C@@H](CNc1cc(C(C)=O)ccc1C#N)CN(C)C ZINC000896115134 630468377 /nfs/dbraw/zinc/46/83/77/630468377.db2.gz IOBNYFNIJFOLNS-HNNXBMFYSA-N 0 3 289.379 2.139 20 30 CEEDHN Cn1cc(CNC2CCC(C#N)CC2)c(Br)n1 ZINC000896282268 630518507 /nfs/dbraw/zinc/51/85/07/630518507.db2.gz QJNVCNOVCHTULU-UHFFFAOYSA-N 0 3 297.200 2.355 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cnc(Cl)c(F)c1 ZINC000883399518 630536703 /nfs/dbraw/zinc/53/67/03/630536703.db2.gz PCTTYAIQEPOCTJ-SNVBAGLBSA-N 0 3 258.724 2.291 20 30 CEEDHN C=CCCCN(CC)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000896618121 630613678 /nfs/dbraw/zinc/61/36/78/630613678.db2.gz MMJSKKMXKZOMBZ-QWHCGFSZSA-N 0 3 253.390 2.077 20 30 CEEDHN C=C1CCC(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000896899436 630772129 /nfs/dbraw/zinc/77/21/29/630772129.db2.gz RUXJWHKSUIEJNM-JSGCOSHPSA-N 0 3 262.397 2.474 20 30 CEEDHN C=C1CCC(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)CC1 ZINC000897237845 631008041 /nfs/dbraw/zinc/00/80/41/631008041.db2.gz QXKGYBFQWBRGLQ-KGLIPLIRSA-N 0 3 282.453 2.237 20 30 CEEDHN Cc1ccc(C(=O)N(C)[C@@H]2CN3CCC2CC3)cc1C#N ZINC000799628181 631052907 /nfs/dbraw/zinc/05/29/07/631052907.db2.gz YATJOCSQYNFFSO-MRXNPFEDSA-N 0 3 283.375 2.033 20 30 CEEDHN Cc1ccc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1C#N ZINC000799719697 631069645 /nfs/dbraw/zinc/06/96/45/631069645.db2.gz VGAAIQKZZLKSLX-CYBMUJFWSA-N 0 3 283.375 2.247 20 30 CEEDHN Cc1ccc(C(=O)N[C@@H]2CCCN(C(C)C)C2)cc1C#N ZINC000799721845 631070900 /nfs/dbraw/zinc/07/09/00/631070900.db2.gz YAKWNQQJUIDZEN-MRXNPFEDSA-N 0 3 285.391 2.469 20 30 CEEDHN CC#CC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000801148559 631226392 /nfs/dbraw/zinc/22/63/92/631226392.db2.gz IDRAFEPIPWEMAY-MRXNPFEDSA-N 0 3 270.376 2.353 20 30 CEEDHN COc1cccc(C)c1CNCCNc1ccc(C#N)cn1 ZINC000897396757 631282152 /nfs/dbraw/zinc/28/21/52/631282152.db2.gz QITMQZVFEMJELW-UHFFFAOYSA-N 0 3 296.374 2.472 20 30 CEEDHN C#CCCN1CCN(C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000801525966 631282565 /nfs/dbraw/zinc/28/25/65/631282565.db2.gz UTRGPYLYTXBTFK-MRXNPFEDSA-N 0 3 276.424 2.119 20 30 CEEDHN CCN(CCO[C@H](C)C#N)C[C@H]1COc2ccccc2O1 ZINC000801909753 631350223 /nfs/dbraw/zinc/35/02/23/631350223.db2.gz GMWMJGRRZBUOMS-KGLIPLIRSA-N 0 3 290.363 2.077 20 30 CEEDHN CCN(CCO[C@@H](C)C#N)Cc1ccc2c(c1)OCO2 ZINC000801914526 631353874 /nfs/dbraw/zinc/35/38/74/631353874.db2.gz JSFMXSHKWLTSQL-LBPRGKRZSA-N 0 3 276.336 2.166 20 30 CEEDHN C[C@H](C#N)OCCN1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000801927388 631358163 /nfs/dbraw/zinc/35/81/63/631358163.db2.gz OUCCBXLXLFLCQB-RDBSUJKOSA-N 0 3 278.352 2.096 20 30 CEEDHN N#CC(C(=O)Cc1ccc(Cl)s1)C(=O)N1CCCC1 ZINC000802037577 631376918 /nfs/dbraw/zinc/37/69/18/631376918.db2.gz LSKLJHTVVFIQEX-JTQLQIEISA-N 0 3 296.779 2.275 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc(Cl)c2C)C1 ZINC000988865925 631702314 /nfs/dbraw/zinc/70/23/14/631702314.db2.gz LWCVYRHBQAEFOT-YPMHNXCESA-N 0 3 290.794 2.474 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc(Cl)c2C)C1 ZINC000988865921 631702487 /nfs/dbraw/zinc/70/24/87/631702487.db2.gz LWCVYRHBQAEFOT-AAEUAGOBSA-N 0 3 290.794 2.474 20 30 CEEDHN C=CCN1CCN(CN2CC3(CCC3)C[C@H]2C)C1=O ZINC000840057417 631726646 /nfs/dbraw/zinc/72/66/46/631726646.db2.gz XHJRGNUELQIZLO-CYBMUJFWSA-N 0 3 263.385 2.132 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2cc3ccccc3o2)C1 ZINC000989276293 631765598 /nfs/dbraw/zinc/76/55/98/631765598.db2.gz XLDIGQIWYKQYBD-HIFRSBDPSA-N 0 3 296.370 2.188 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000989274366 631765870 /nfs/dbraw/zinc/76/58/70/631765870.db2.gz RMSAFBGWYUCTAJ-SMDDNHRTSA-N 0 3 299.349 2.133 20 30 CEEDHN C=CCc1cc(OC)cc(CN2CC[C@@H]2COC)c1O ZINC000840084510 631809678 /nfs/dbraw/zinc/80/96/78/631809678.db2.gz YLHYNNHHGLQROB-CQSZACIVSA-N 0 3 277.364 2.350 20 30 CEEDHN COC(=O)CC(C)(C)C[C@@H](C)NCc1nc(C#N)cs1 ZINC000897629587 631838148 /nfs/dbraw/zinc/83/81/48/631838148.db2.gz MFALZUUXUSOIGA-SNVBAGLBSA-N 0 3 295.408 2.472 20 30 CEEDHN C#C[C@H](CC)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000808296592 631946351 /nfs/dbraw/zinc/94/63/51/631946351.db2.gz RPPZOAFYXGZFHT-OIISXLGYSA-N 0 3 299.418 2.360 20 30 CEEDHN N#CC[C@@H](O)CN(Cc1ccc(F)cc1)CC1CC1 ZINC000809574016 632102269 /nfs/dbraw/zinc/10/22/69/632102269.db2.gz CPGMOGXFSMSCCZ-OAHLLOKOSA-N 0 3 262.328 2.312 20 30 CEEDHN N#CC[C@@H](O)CN(CCc1cccc(F)c1)C1CC1 ZINC000809574167 632102886 /nfs/dbraw/zinc/10/28/86/632102886.db2.gz FVNVHLAKYVZGCW-OAHLLOKOSA-N 0 3 262.328 2.107 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)c(F)c2)C1 ZINC000989475921 632181704 /nfs/dbraw/zinc/18/17/04/632181704.db2.gz GKUBAMILTXEMPJ-ZYHUDNBSSA-N 0 3 294.757 2.305 20 30 CEEDHN C[C@H](CC1CCOCC1)NCc1nc(C#N)cs1 ZINC000810148285 632187595 /nfs/dbraw/zinc/18/75/95/632187595.db2.gz XRPPLZUXODDLEQ-SNVBAGLBSA-N 0 3 265.382 2.310 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2ccc(Cl)cn2)CC1 ZINC000989522231 632198856 /nfs/dbraw/zinc/19/88/56/632198856.db2.gz SIOUULKHTQFGKP-UHFFFAOYSA-N 0 3 293.798 2.459 20 30 CEEDHN C#CCCN1CCCN(C(=O)c2cc(C)ccc2C)CC1 ZINC000989554063 632203872 /nfs/dbraw/zinc/20/38/72/632203872.db2.gz QJHKAUIGMPHION-UHFFFAOYSA-N 0 3 284.403 2.475 20 30 CEEDHN CN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCCN(C)C1 ZINC000929167173 632214730 /nfs/dbraw/zinc/21/47/30/632214730.db2.gz IKXIJILQGWCFKS-AWEZNQCLSA-N 0 3 272.352 2.116 20 30 CEEDHN CC(C)(C)N1CC[C@](F)(C(=O)C(C#N)c2ccccn2)C1 ZINC000810526757 632221853 /nfs/dbraw/zinc/22/18/53/632221853.db2.gz CXZVNFYRMKETAX-BLLLJJGKSA-N 0 3 289.354 2.470 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(C)c(C)c2)C1 ZINC000989762832 632236886 /nfs/dbraw/zinc/23/68/86/632236886.db2.gz NCYRTPLPSYBFFX-DOTOQJQBSA-N 0 3 284.403 2.058 20 30 CEEDHN C#Cc1ccccc1CC(=O)N(CCN(C)C)CC(C)C ZINC000810611943 632239686 /nfs/dbraw/zinc/23/96/86/632239686.db2.gz LJGMPRHFPYSIGI-UHFFFAOYSA-N 0 3 286.419 2.257 20 30 CEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@@](C)(C#N)C2)C1 ZINC000810673061 632255273 /nfs/dbraw/zinc/25/52/73/632255273.db2.gz SWEXNMLMQJOGLQ-HOTGVXAUSA-N 0 3 295.402 2.351 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccco3)CCC[C@H]12 ZINC000989916516 632278443 /nfs/dbraw/zinc/27/84/43/632278443.db2.gz VGLKSYMAJDYSCP-DZGCQCFKSA-N 0 3 260.337 2.192 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3cc[nH]c3CC)CCC[C@@H]12 ZINC000990491522 632369298 /nfs/dbraw/zinc/36/92/98/632369298.db2.gz DLNXJKYRLIXSKG-NVXWUHKLSA-N 0 3 287.407 2.490 20 30 CEEDHN CC[C@H](O)CNN=Cc1ccc(N2CCCCC2)cc1 ZINC000811654645 632415913 /nfs/dbraw/zinc/41/59/13/632415913.db2.gz ZZGIGNQBMYHLFQ-INIZCTEOSA-N 0 3 275.396 2.371 20 30 CEEDHN C#CC[C@H]1CCCN(CN2C(=O)C(C)(C)[C@H]2C2CC2)C1 ZINC000842629194 632482115 /nfs/dbraw/zinc/48/21/15/632482115.db2.gz LDSRPWQHQAKQNN-DZGCQCFKSA-N 0 3 274.408 2.326 20 30 CEEDHN CC(=NNCC(C)C)c1cccc(N2CCOCC2)c1 ZINC000812442952 632532568 /nfs/dbraw/zinc/53/25/68/632532568.db2.gz GVHRWNBYVIRQCD-UHFFFAOYSA-N 0 3 275.396 2.493 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCC#N)c1 ZINC000813060015 632612174 /nfs/dbraw/zinc/61/21/74/632612174.db2.gz NQYDKGANBUSGPG-CYBMUJFWSA-N 0 3 269.304 2.336 20 30 CEEDHN CC(COC(=O)c1ccccc1SCC#N)[N+](=O)[O-] ZINC000813111211 632627321 /nfs/dbraw/zinc/62/73/21/632627321.db2.gz CVSXDXQRBHRHHD-VIFPVBQESA-N 0 3 280.305 2.124 20 30 CEEDHN CC(C)N(CCC#N)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000813432475 632690864 /nfs/dbraw/zinc/69/08/64/632690864.db2.gz XXQCVGNQADJORS-HNNXBMFYSA-N 0 3 283.391 2.350 20 30 CEEDHN CC1/C(=C\c2ccc3c(c2)C[C@@H](C)O3)C(=O)c2ncnn21 ZINC000899379935 632821406 /nfs/dbraw/zinc/82/14/06/632821406.db2.gz DIKWQVQLDOREQP-UENQJWCGSA-N 0 3 281.315 2.442 20 30 CEEDHN CCCC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccnc1 ZINC000814885722 632914008 /nfs/dbraw/zinc/91/40/08/632914008.db2.gz IEVGXWLWNXDFLS-GJZGRUSLSA-N 0 3 285.395 2.446 20 30 CEEDHN C=CCC(F)(F)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000815018128 632950519 /nfs/dbraw/zinc/95/05/19/632950519.db2.gz HHNYKUCBHPWUSB-NEPJUHHUSA-N 0 3 274.355 2.434 20 30 CEEDHN C=CCC(F)(F)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000815508755 633027644 /nfs/dbraw/zinc/02/76/44/633027644.db2.gz HEFNLYQEYFTROL-LBPRGKRZSA-N 0 3 272.339 2.285 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc2cc(C)ccc2n1 ZINC000818593392 633954191 /nfs/dbraw/zinc/95/41/91/633954191.db2.gz XNCCIARQAMFDIV-UHFFFAOYSA-N 0 3 295.386 2.228 20 30 CEEDHN C=C(Br)CNC[C@@H](O)CCc1ccccc1 ZINC000818979704 634025829 /nfs/dbraw/zinc/02/58/29/634025829.db2.gz UXARWGHOHRIPCX-ZDUSSCGKSA-N 0 3 284.197 2.478 20 30 CEEDHN C[C@H](NC[C@H](O)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902794702 634836556 /nfs/dbraw/zinc/83/65/56/634836556.db2.gz YHQFQTRCOXFJDB-XJKSGUPXSA-N 0 3 281.359 2.207 20 30 CEEDHN C[C@@H](N[C@@H]1CCCc2cn[nH]c21)c1cc(C#N)ccn1 ZINC000902882085 634877252 /nfs/dbraw/zinc/87/72/52/634877252.db2.gz UCEUCADLARUZMO-ZWNOBZJWSA-N 0 3 267.336 2.405 20 30 CEEDHN C[C@@H](N[C@H](CO)C1CCCC1)c1cc(C#N)ccn1 ZINC000902997183 634930167 /nfs/dbraw/zinc/93/01/67/634930167.db2.gz RLUGEMMZAUGYSY-IAQYHMDHSA-N 0 3 259.353 2.155 20 30 CEEDHN C[C@H](N[C@@H]1CCC[C@H]([S@](C)=O)C1)c1cc(C#N)ccn1 ZINC000903048685 634954918 /nfs/dbraw/zinc/95/49/18/634954918.db2.gz RUGSWTVFZVOCEG-KSSIEVFVSA-N 0 3 291.420 2.294 20 30 CEEDHN C[C@H](NC[C@H](CO)CC1CC1)c1cc(C#N)ccn1 ZINC000903053739 634957049 /nfs/dbraw/zinc/95/70/49/634957049.db2.gz SLQBZGMGRBAKTQ-SMDDNHRTSA-N 0 3 259.353 2.012 20 30 CEEDHN C=CCC[C@H]([NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1)C1CC1 ZINC000903398832 635108711 /nfs/dbraw/zinc/10/87/11/635108711.db2.gz UHFAZXONRQZJOD-KBPBESRZSA-N 0 3 288.395 2.095 20 30 CEEDHN CN(Cc1ccnc(C#N)c1)C[C@](C)(O)c1ccccc1 ZINC000823604840 635226107 /nfs/dbraw/zinc/22/61/07/635226107.db2.gz FNWSCEPFAAHKTK-KRWDZBQOSA-N 0 3 281.359 2.293 20 30 CEEDHN C#C[C@H](C)NCc1cn(C)nc1-c1ccc(F)cc1 ZINC000824363378 635413507 /nfs/dbraw/zinc/41/35/07/635413507.db2.gz CKCBAOIDRDHBBY-NSHDSACASA-N 0 3 257.312 2.338 20 30 CEEDHN CCCCN(O)C(=O)c1cccc(CN(C)C)c1 ZINC000904209143 635500423 /nfs/dbraw/zinc/50/04/23/635500423.db2.gz VWLWGPPMGQGOGP-UHFFFAOYSA-N 0 3 250.342 2.380 20 30 CEEDHN CC(C)CN(CCN(C)C)C(=O)c1cc(C#N)ccc1F ZINC000826538334 635779016 /nfs/dbraw/zinc/77/90/16/635779016.db2.gz AGVLEVSQPZZFCB-UHFFFAOYSA-N 0 3 291.370 2.357 20 30 CEEDHN CC[C@@](O)(CNCc1cccc(C#N)c1)C(F)(F)F ZINC000905039097 635782528 /nfs/dbraw/zinc/78/25/28/635782528.db2.gz RKHLYQCEGPWGNU-GFCCVEGCSA-N 0 3 272.270 2.351 20 30 CEEDHN CC1/C(=C\c2cnc(C(C)(C)C)nc2)C(=O)c2ncnn21 ZINC000905087778 635801297 /nfs/dbraw/zinc/80/12/97/635801297.db2.gz ZMKCTBKZVYZZTP-WUFUFFIZSA-N 0 3 283.335 2.207 20 30 CEEDHN C=CCOc1ccccc1CNC[C@H](O)C1(O)CCCC1 ZINC000905104200 635816966 /nfs/dbraw/zinc/81/69/66/635816966.db2.gz NOMLMJAFEXOGOO-INIZCTEOSA-N 0 3 291.391 2.007 20 30 CEEDHN C[C@@H]1CC(NC(=O)[C@H]2CCCCN2C2CCCC2)=NO1 ZINC000827497631 636336199 /nfs/dbraw/zinc/33/61/99/636336199.db2.gz YCIARDNGCXUWKR-DGCLKSJQSA-N 0 3 279.384 2.022 20 30 CEEDHN C=CC[C@@H](NC[C@H](C)N(C)Cc1ccccc1)C(=O)OC ZINC000905759272 636445738 /nfs/dbraw/zinc/44/57/38/636445738.db2.gz KILKZCZDTNOEEL-GOEBONIOSA-N 0 3 290.407 2.214 20 30 CEEDHN CCC[C@@H](N)c1cn(CC2CCC(C#N)CC2)nn1 ZINC000905815570 636484537 /nfs/dbraw/zinc/48/45/37/636484537.db2.gz KSHKVWGICTZLSE-WXRRBKDZSA-N 0 3 261.373 2.408 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)NCCCCCC)C1 ZINC000829768852 636925451 /nfs/dbraw/zinc/92/54/51/636925451.db2.gz KXELHBBXWCJMEP-OAHLLOKOSA-N 0 3 264.413 2.418 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)N(C(C)C)C(C)C)C1 ZINC000829769062 636925838 /nfs/dbraw/zinc/92/58/38/636925838.db2.gz NQBQAJFZRYTOHM-OAHLLOKOSA-N 0 3 264.413 2.367 20 30 CEEDHN C#CC[C@H]1CCCN(CC(=O)NC2CCCCC2)C1 ZINC000829774333 636927047 /nfs/dbraw/zinc/92/70/47/636927047.db2.gz PCAUCXHLOHLGDI-AWEZNQCLSA-N 0 3 262.397 2.171 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)NC2CCC(C)CC2)C1 ZINC000829775142 636928196 /nfs/dbraw/zinc/92/81/96/636928196.db2.gz YIAKKVNQYSEEPY-HWOWSKLDSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)NCCc2ccccc2)C1 ZINC000829775042 636928353 /nfs/dbraw/zinc/92/83/53/636928353.db2.gz XMMYCLWWIMEAAX-WMZOPIPTSA-N 0 3 298.430 2.469 20 30 CEEDHN C#CC[C@H]1CCCN(Cc2cc(=O)n3cc(C)ccc3n2)C1 ZINC000829788648 636929828 /nfs/dbraw/zinc/92/98/28/636929828.db2.gz CGYGTXMSENWAMR-HNNXBMFYSA-N 0 3 295.386 2.238 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)ccc2F)CN1C1CC1 ZINC000829862834 636944812 /nfs/dbraw/zinc/94/48/12/636944812.db2.gz GZKIYFADKLCZRN-ZYHUDNBSSA-N 0 3 287.338 2.052 20 30 CEEDHN C#CC1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000830304947 637031518 /nfs/dbraw/zinc/03/15/18/637031518.db2.gz CQXLMGGKEPPDNA-ZIAGYGMSSA-N 0 3 262.397 2.121 20 30 CEEDHN C#CC1CCN([C@@H](C)C(=O)N[C@H](C)CCC)CC1 ZINC000830316076 637033590 /nfs/dbraw/zinc/03/35/90/637033590.db2.gz DAOQDHGXEPZDGY-OLZOCXBDSA-N 0 3 250.386 2.025 20 30 CEEDHN C#CC1CCN([C@@H](C)C(=O)NCCc2ccccc2C)CC1 ZINC000830316606 637034131 /nfs/dbraw/zinc/03/41/31/637034131.db2.gz ZPILTMNBQMAEHM-INIZCTEOSA-N 0 3 298.430 2.387 20 30 CEEDHN C#C[C@@H](C)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000907490388 637034626 /nfs/dbraw/zinc/03/46/26/637034626.db2.gz COLNSRLEUGUQNY-LLVKDONJSA-N 0 3 255.321 2.042 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000876545230 650316566 /nfs/dbraw/zinc/31/65/66/650316566.db2.gz JHMIIYVVMFEPPX-JTQLQIEISA-N 0 3 283.715 2.312 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccccc1C ZINC000876554642 650323828 /nfs/dbraw/zinc/32/38/28/650323828.db2.gz RBFQGYLDZOJTQN-ZDUSSCGKSA-N 0 3 266.772 2.423 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000876558094 650326427 /nfs/dbraw/zinc/32/64/27/650326427.db2.gz NZUGPIGSQMCCJW-MWLCHTKSSA-N 0 3 282.775 2.263 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN1CCCCCCCC1)C1CC1 ZINC000831926892 637462508 /nfs/dbraw/zinc/46/25/08/637462508.db2.gz YFRRVDKZFAWBIK-INIZCTEOSA-N 0 3 277.412 2.451 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccnc2F)CC1 ZINC000832104240 637498608 /nfs/dbraw/zinc/49/86/08/637498608.db2.gz DVXREHCWDLACMA-UHFFFAOYSA-N 0 3 292.358 2.383 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(C)c1 ZINC000876579895 650343254 /nfs/dbraw/zinc/34/32/54/650343254.db2.gz BMIPHHWTHUGPNQ-GFCCVEGCSA-N 0 3 252.745 2.081 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C(F)(F)F)CC1 ZINC000876578762 650343736 /nfs/dbraw/zinc/34/37/36/650343736.db2.gz ZQICLBLSBAUQIF-VIFPVBQESA-N 0 3 284.709 2.257 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC(C)C)C1CC1 ZINC000876599466 650354299 /nfs/dbraw/zinc/35/42/99/650354299.db2.gz BNZLBGSYVOFAKF-GFCCVEGCSA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCCC[C@H]1C ZINC000876618886 650362981 /nfs/dbraw/zinc/36/29/81/650362981.db2.gz IJKHFGKADSCXPW-USWWRNFRSA-N 0 3 258.793 2.399 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000876621341 650363701 /nfs/dbraw/zinc/36/37/01/650363701.db2.gz ZAJMVYLPTFIDRR-WOPDTQHZSA-N 0 3 256.777 2.247 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)OC)c(C)c1 ZINC000876648371 650374790 /nfs/dbraw/zinc/37/47/90/650374790.db2.gz ZKUNOQJIGNBPLX-GFCCVEGCSA-N 0 3 296.754 2.190 20 30 CEEDHN Nc1ccc2c(c1)CCCC2=NN[C@H]1CCCOC1 ZINC000834972227 638004757 /nfs/dbraw/zinc/00/47/57/638004757.db2.gz KKWXCSKVUHQJRQ-ZDUSSCGKSA-N 0 3 259.353 2.078 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000876666431 650388359 /nfs/dbraw/zinc/38/83/59/650388359.db2.gz RGOAIVNISNEJSF-SNVBAGLBSA-N 0 3 282.775 2.189 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(OCCF)c1 ZINC000876688921 650401169 /nfs/dbraw/zinc/40/11/69/650401169.db2.gz PNCSMVGLCAVYQG-GFCCVEGCSA-N 0 3 286.734 2.443 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCc1cccs1 ZINC000876686377 650399249 /nfs/dbraw/zinc/39/92/49/650399249.db2.gz WLKMIBXXCPZELR-NSHDSACASA-N 0 3 272.801 2.219 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)c1ccc(OC)c(F)c1 ZINC000876691789 650402461 /nfs/dbraw/zinc/40/24/61/650402461.db2.gz QCQFTUTTWMSMTB-LLVKDONJSA-N 0 3 286.734 2.267 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@H](OCC)C(C)C ZINC000876699761 650404772 /nfs/dbraw/zinc/40/47/72/650404772.db2.gz HWPOTBREOSHVAS-RYUDHWBXSA-N 0 3 276.808 2.024 20 30 CEEDHN CCCCCCCC[C@@H](N)C(=O)NC[C@H]1CCCO1 ZINC000911894242 638458653 /nfs/dbraw/zinc/45/86/53/638458653.db2.gz CZAIBAZSUGAEQT-ZIAGYGMSSA-N 0 3 270.417 2.360 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000911971428 638505362 /nfs/dbraw/zinc/50/53/62/638505362.db2.gz FSGMLIULSOEBBH-ZDUSSCGKSA-N 0 3 290.363 2.404 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)c1nccs1 ZINC000876771232 650426334 /nfs/dbraw/zinc/42/63/34/650426334.db2.gz VXFAPKTXMVKGHD-BDAKNGLRSA-N 0 3 273.789 2.180 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)c1nccs1 ZINC000876771237 650426454 /nfs/dbraw/zinc/42/64/54/650426454.db2.gz VXFAPKTXMVKGHD-RKDXNWHRSA-N 0 3 273.789 2.180 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(C(=O)NCC)c1 ZINC000912054061 638537770 /nfs/dbraw/zinc/53/77/70/638537770.db2.gz LQWNMOHUWBRUSY-AWEZNQCLSA-N 0 3 289.379 2.058 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000876788838 650432137 /nfs/dbraw/zinc/43/21/37/650432137.db2.gz RKTVTPWDAIBJJI-QWHCGFSZSA-N 0 3 279.771 2.215 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)C1CCCCC1 ZINC000836322865 638600641 /nfs/dbraw/zinc/60/06/41/638600641.db2.gz CHDBAXZEZONMIF-CQSZACIVSA-N 0 3 279.428 2.210 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccc(O)c(OC)c1 ZINC000912232240 638617041 /nfs/dbraw/zinc/61/70/41/638617041.db2.gz BJSNNHXXFNNDBM-ZDUSSCGKSA-N 0 3 292.379 2.043 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1CCCC[C@H]1C ZINC000836488817 638648075 /nfs/dbraw/zinc/64/80/75/638648075.db2.gz RKPWQRFOOMFFKB-CABCVRRESA-N 0 3 279.428 2.067 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCCC1=CCCCC1 ZINC000836486618 638648479 /nfs/dbraw/zinc/64/84/79/638648479.db2.gz HWGXQEXGGBEGPI-UHFFFAOYSA-N 0 3 277.412 2.131 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCC[C@H](C)CC1 ZINC000836490400 638649065 /nfs/dbraw/zinc/64/90/65/638649065.db2.gz YVQBVTPZNZAMTH-LSDHHAIUSA-N 0 3 279.428 2.210 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCCc1c(F)cccc1F ZINC000912406664 638681952 /nfs/dbraw/zinc/68/19/52/638681952.db2.gz OZAZVVWQERRATN-CQSZACIVSA-N 0 3 282.334 2.307 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1c(C)cccc1OC ZINC000876873552 650467480 /nfs/dbraw/zinc/46/74/80/650467480.db2.gz JQLYTANFQSTQRY-SNVBAGLBSA-N 0 3 268.744 2.412 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000876882618 650472284 /nfs/dbraw/zinc/47/22/84/650472284.db2.gz MSBUWMUEENJIND-GFCCVEGCSA-N 0 3 279.771 2.369 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)C[C@H](C)c1nccs1 ZINC000876884818 650472838 /nfs/dbraw/zinc/47/28/38/650472838.db2.gz KQUGTVCCYQJFMB-WCBMZHEXSA-N 0 3 287.816 2.175 20 30 CEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC000837359328 639201411 /nfs/dbraw/zinc/20/14/11/639201411.db2.gz BQQQPXCPUBZOGF-PBHICJAKSA-N 0 3 282.387 2.352 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccccc1 ZINC000876543619 639289382 /nfs/dbraw/zinc/28/93/82/639289382.db2.gz HEEDSYWZRUYQPE-JQWIXIFHSA-N 0 3 252.745 2.334 20 30 CEEDHN N#Cc1c(NC(=O)[C@@H]2CC[C@@H]3CCCCN32)n[nH]c1C1CC1 ZINC000913531286 639315052 /nfs/dbraw/zinc/31/50/52/639315052.db2.gz JQIZZZWOJOVEAW-AAEUAGOBSA-N 0 3 299.378 2.114 20 30 CEEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000156492974 639359175 /nfs/dbraw/zinc/35/91/75/639359175.db2.gz SJLIRPMTOSZQLD-NEPJUHHUSA-N 0 3 276.361 2.476 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](OC2CCC2)C1 ZINC000876953260 650503533 /nfs/dbraw/zinc/50/35/33/650503533.db2.gz LHDAMSCHDMWBHK-QWHCGFSZSA-N 0 3 286.803 2.016 20 30 CEEDHN COCCN(CCOC)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000158195893 639576440 /nfs/dbraw/zinc/57/64/40/639576440.db2.gz VMZOUAWEPVQICC-AWEZNQCLSA-N 0 3 292.379 2.072 20 30 CEEDHN CC(C)NC(=O)[C@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000228939276 639665282 /nfs/dbraw/zinc/66/52/82/639665282.db2.gz LBOLAFZROLEVPE-OLZOCXBDSA-N 0 3 289.379 2.153 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CCC[C@H](c2ccccc2)CC1 ZINC000171091811 639700051 /nfs/dbraw/zinc/70/00/51/639700051.db2.gz HXOOCLIDWRMTHV-RDJZCZTQSA-N 0 3 284.403 2.394 20 30 CEEDHN C=CCN1CCC(NC(=O)CSC(C)(C)C)CC1 ZINC000171727475 639728152 /nfs/dbraw/zinc/72/81/52/639728152.db2.gz PIAGKJVLQRFEQK-UHFFFAOYSA-N 0 3 270.442 2.285 20 30 CEEDHN N#CC(C(=O)C[C@H]1CCCc2ccccc21)C(=O)NC1CC1 ZINC000171776896 639729993 /nfs/dbraw/zinc/72/99/93/639729993.db2.gz WHCROILWGZJZAS-CZUORRHYSA-N 0 3 296.370 2.484 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC(C)(C)SC)CC1 ZINC000173200256 639844721 /nfs/dbraw/zinc/84/47/21/639844721.db2.gz RLORDMFTPSWESA-UHFFFAOYSA-N 0 3 285.457 2.078 20 30 CEEDHN C#CCSCCNCc1cnc2ccccc2n1 ZINC000231937316 639885884 /nfs/dbraw/zinc/88/58/84/639885884.db2.gz WDUBNMAFNWOYSQ-UHFFFAOYSA-N 0 3 257.362 2.086 20 30 CEEDHN C#CCCCN[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000174274225 639916011 /nfs/dbraw/zinc/91/60/11/639916011.db2.gz LVEHTSGYMDQKLR-HNNXBMFYSA-N 0 3 256.349 2.009 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC[C@H]1CC=CCC1 ZINC000877032247 650539100 /nfs/dbraw/zinc/53/91/00/650539100.db2.gz IFWOJFWTIZWYCL-NWDGAFQWSA-N 0 3 256.777 2.319 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3csc(C)n3)CCC[C@@H]12 ZINC000992137694 639971031 /nfs/dbraw/zinc/97/10/31/639971031.db2.gz OVTJYFGFYBAYGE-UKRRQHHQSA-N 0 3 291.420 2.364 20 30 CEEDHN CCN(CCO)N=C1CCCC[C@H]1N1CCCCC1 ZINC000842538856 639987315 /nfs/dbraw/zinc/98/73/15/639987315.db2.gz OECNQFDMJCDMDC-OAHLLOKOSA-N 0 3 267.417 2.085 20 30 CEEDHN C#CCN(C(=O)NC[C@H](c1ccccc1)N(C)C)C(C)C ZINC000913858584 640140146 /nfs/dbraw/zinc/14/01/46/640140146.db2.gz SHDUZGHUVJRMQJ-MRXNPFEDSA-N 0 3 287.407 2.343 20 30 CEEDHN C#CCN(C(=O)N[C@H](CC)C(C)C)C1CCN(C)CC1 ZINC000914370714 640331663 /nfs/dbraw/zinc/33/16/63/640331663.db2.gz XVKSMDXLOHVHER-OAHLLOKOSA-N 0 3 279.428 2.160 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)C(C)(F)F)[C@H]1C ZINC000992985632 640393481 /nfs/dbraw/zinc/39/34/81/640393481.db2.gz XKYBHXGGSBNSMG-GHMZBOCLSA-N 0 3 260.328 2.187 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC2CCOCC2)[C@@H]1C ZINC000993125246 640463800 /nfs/dbraw/zinc/46/38/00/640463800.db2.gz PCDJELFAICVXIX-GOEBONIOSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1CCC[C@H](NC(=O)CC2CCC2)[C@@H]1C ZINC000993137534 640475050 /nfs/dbraw/zinc/47/50/50/640475050.db2.gz KKPVXNVCEKVGJV-JSGCOSHPSA-N 0 3 250.386 2.332 20 30 CEEDHN CCC(CC)(CO)CNCc1cc(C#N)cnc1Cl ZINC000877121516 650581638 /nfs/dbraw/zinc/58/16/38/650581638.db2.gz QYAMEQOABVRHSI-UHFFFAOYSA-N 0 3 281.787 2.495 20 30 CEEDHN C#CC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000843698919 640501739 /nfs/dbraw/zinc/50/17/39/640501739.db2.gz FQOICSPCZQAELQ-INIZCTEOSA-N 0 3 280.387 2.071 20 30 CEEDHN Cc1cc(C=NNC(=N)N)c(C)n1C1CCCCC1 ZINC000915050913 640504649 /nfs/dbraw/zinc/50/46/49/640504649.db2.gz OEQGXYCFCAXZIB-UHFFFAOYSA-N 0 3 261.373 2.427 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CC[C@@H]3SCCS[C@@H]23)n1 ZINC000877129031 650586113 /nfs/dbraw/zinc/58/61/13/650586113.db2.gz HGPAZLMGAKNWMD-RDBSUJKOSA-N 0 3 291.445 2.422 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(F)cn2)[C@H]1C ZINC000993234086 640566171 /nfs/dbraw/zinc/56/61/71/640566171.db2.gz PTKINONWJFDVMA-OCCSQVGLSA-N 0 3 291.370 2.380 20 30 CEEDHN C#CC[C@H]1CCCN(C(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC000843999755 640574292 /nfs/dbraw/zinc/57/42/92/640574292.db2.gz QSALCMLGIUSJED-ZNMIVQPWSA-N 0 3 262.397 2.121 20 30 CEEDHN C#CC[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC000844002121 640574843 /nfs/dbraw/zinc/57/48/43/640574843.db2.gz UTSCFKDKRNQNMI-LSDHHAIUSA-N 0 3 262.397 2.123 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc3occc3[nH]2)[C@H]1C ZINC000993387166 640631398 /nfs/dbraw/zinc/63/13/98/640631398.db2.gz XLIGBIKHWBUTSR-CHWSQXEVSA-N 0 3 299.374 2.367 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001015655526 640632741 /nfs/dbraw/zinc/63/27/41/640632741.db2.gz RKYUATNNVIPJQD-OAHLLOKOSA-N 0 3 262.397 2.499 20 30 CEEDHN C=C(C)CONC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000844283937 640657613 /nfs/dbraw/zinc/65/76/13/640657613.db2.gz KFUFZVSAKRXGFV-CQSZACIVSA-N 0 3 277.368 2.096 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c(C)cncc2C)[C@@H]1C ZINC000993621204 640660111 /nfs/dbraw/zinc/66/01/11/640660111.db2.gz ZHJYIRZASZFTQV-JKSUJKDBSA-N 0 3 299.418 2.304 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ncc(C)cc2C)[C@H]1C ZINC000993626776 640664374 /nfs/dbraw/zinc/66/43/74/640664374.db2.gz WNGDTWHQADDPSW-HZPDHXFCSA-N 0 3 299.418 2.304 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2conc2CC)[C@H]1C ZINC000993778500 640679114 /nfs/dbraw/zinc/67/91/14/640679114.db2.gz CSMHVCNYHCAUOW-IUODEOHRSA-N 0 3 291.395 2.396 20 30 CEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCOC)cc1 ZINC000916914099 640830661 /nfs/dbraw/zinc/83/06/61/640830661.db2.gz VGRANJAZAHRMAX-CQSZACIVSA-N 0 3 288.347 2.323 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2c[nH]cc2C)[C@@H]1C ZINC000994424679 640833164 /nfs/dbraw/zinc/83/31/64/640833164.db2.gz FPKJBIVCSOCUCX-ZFWWWQNUSA-N 0 3 275.396 2.482 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccc[nH]2)[C@@H]1C ZINC000994441965 640834470 /nfs/dbraw/zinc/83/44/70/640834470.db2.gz NWVSXDANYXAVRZ-ZFWWWQNUSA-N 0 3 275.396 2.102 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CCC(C2CCCCC2)CC1 ZINC000917059408 640843672 /nfs/dbraw/zinc/84/36/72/640843672.db2.gz GSJVFEHCUFCMNU-CQSZACIVSA-N 0 3 276.424 2.417 20 30 CEEDHN C[C@H](COCC(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000845513377 640991371 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C[C@@H]1CN(C2CC2)CC1N=Nc1nc2ccccc2n1C ZINC000755889772 644576661 /nfs/dbraw/zinc/57/66/61/644576661.db2.gz ICQDTQCDOVDWJQ-LLVKDONJSA-N 0 3 283.379 2.455 20 30 CEEDHN CC[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2)O1 ZINC000757306314 644754540 /nfs/dbraw/zinc/75/45/40/644754540.db2.gz QPRVRLKXDMNXQM-HZSPNIEDSA-N 0 3 286.331 2.292 20 30 CEEDHN CC[C@@H]1CC[C@@H](C(=O)C(C#N)c2cc(C)nc(C)n2)O1 ZINC000757306576 644754619 /nfs/dbraw/zinc/75/46/19/644754619.db2.gz SFYOMRUDHXNWBO-BZPMIXESSA-N 0 3 273.336 2.227 20 30 CEEDHN C#C[C@@H](CC)NCc1ccc2c(c1)CCC(=O)N2C ZINC000809685976 644765573 /nfs/dbraw/zinc/76/55/73/644765573.db2.gz FGWOPGLTJORRBP-AWEZNQCLSA-N 0 3 256.349 2.097 20 30 CEEDHN C#C[C@@H](C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000839728163 644794326 /nfs/dbraw/zinc/79/43/26/644794326.db2.gz HUTXTZUIWVXOOP-CQSZACIVSA-N 0 3 270.376 2.424 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C(\C)c1cccs1 ZINC000857721558 644957301 /nfs/dbraw/zinc/95/73/01/644957301.db2.gz OIIMBOGGKSTWNJ-OUKQBFOZSA-N 0 3 276.405 2.223 20 30 CEEDHN C[C@@H](OCc1ccccc1)C(=O)C(C#N)c1ccncn1 ZINC000760335443 645141348 /nfs/dbraw/zinc/14/13/48/645141348.db2.gz UUYBNHDAINFZGV-OCCSQVGLSA-N 0 3 281.315 2.258 20 30 CEEDHN CC1=CCN(CCNC(=O)/C=C/c2ccccc2C#N)CC1 ZINC000762703055 645440329 /nfs/dbraw/zinc/44/03/29/645440329.db2.gz BVCYNMKZIIOWED-VOTSOKGWSA-N 0 3 295.386 2.340 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763653013 645563544 /nfs/dbraw/zinc/56/35/44/645563544.db2.gz VCSOWUJGFXAZLY-AWEZNQCLSA-N 0 3 270.332 2.086 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](c1cccc(C)c1)C(C)C ZINC000859849975 645632234 /nfs/dbraw/zinc/63/22/34/645632234.db2.gz REZGZNITDOPYLM-HOCLYGCPSA-N 0 3 272.392 2.420 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@@H](CC)c1cc(C)ccc1C ZINC000859935756 645659238 /nfs/dbraw/zinc/65/92/38/645659238.db2.gz XBZLLWYZAOLYTH-HOCLYGCPSA-N 0 3 272.392 2.482 20 30 CEEDHN CC1(C)[C@@]2(C)CC[C@]1(C(=O)C(C#N)c1ccccn1)OC2=O ZINC000860467233 645799106 /nfs/dbraw/zinc/79/91/06/645799106.db2.gz HDGITLIOAVNDLX-ZTFRIQLXSA-N 0 3 298.342 2.380 20 30 CEEDHN N#CCC[C@@H](C#N)CNC1CCC(O)(c2cccnc2)CC1 ZINC000769841782 646324967 /nfs/dbraw/zinc/32/49/67/646324967.db2.gz GHMBJAWOXNEDLT-OOHWJJMZSA-N 0 3 298.390 2.245 20 30 CEEDHN CCOC(=O)C1=CC[C@@H](NCc2cc(C#N)cs2)C1 ZINC000862488165 646478410 /nfs/dbraw/zinc/47/84/10/646478410.db2.gz CHAGRXNDFWPVRF-GFCCVEGCSA-N 0 3 276.361 2.361 20 30 CEEDHN C#Cc1cccc(N2C(=O)NC(CC(F)(F)F)C2=O)c1 ZINC000771838389 646557679 /nfs/dbraw/zinc/55/76/79/646557679.db2.gz BPCVSJRSOQOZHJ-SNVBAGLBSA-N 0 3 282.221 2.045 20 30 CEEDHN c1ccc2c(N=NC3CN4C[C@@H]3CCC4)ccnc2c1 ZINC000863091376 646633506 /nfs/dbraw/zinc/63/35/06/646633506.db2.gz SGBKGSKJXHTRRP-LBPRGKRZSA-N 0 3 266.348 2.150 20 30 CEEDHN Cc1cc(NN=Cc2ccnn2CC(C)C)ccn1 ZINC000863160865 646659832 /nfs/dbraw/zinc/65/98/32/646659832.db2.gz TWPUTCRDFCBZSB-UHFFFAOYSA-N 0 3 257.341 2.110 20 30 CEEDHN C#Cc1cncc(C(=O)N(CC(C)C)C2CCN(C)CC2)c1 ZINC000773953606 646789155 /nfs/dbraw/zinc/78/91/55/646789155.db2.gz QISIXMYCPHPJQI-UHFFFAOYSA-N 0 3 299.418 2.255 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@H]2CCCC23CC3)CC1 ZINC000863779357 646811943 /nfs/dbraw/zinc/81/19/43/646811943.db2.gz UQSCKBCRXVTJFZ-OAHLLOKOSA-N 0 3 274.408 2.028 20 30 CEEDHN C#Cc1ccc(C(=O)N2CCN(C)C(C)(C)CC2)cc1 ZINC000864062406 646878988 /nfs/dbraw/zinc/87/89/88/646878988.db2.gz HLPNBLCVHFOHSW-UHFFFAOYSA-N 0 3 270.376 2.224 20 30 CEEDHN C#CCNC(=O)CN[C@H](c1ccccc1C)C(C)C ZINC000775409361 646951757 /nfs/dbraw/zinc/95/17/57/646951757.db2.gz ZASYCXGEKTYGEY-INIZCTEOSA-N 0 3 258.365 2.031 20 30 CEEDHN CC1(CN[C@@H]2CCCc3cc(C#N)ccc32)OCCO1 ZINC000775423202 646952932 /nfs/dbraw/zinc/95/29/32/646952932.db2.gz OIXKBECYGFLHJG-OAHLLOKOSA-N 0 3 272.348 2.288 20 30 CEEDHN N#CC(C(=O)C[C@@H]1CCCCO1)C(=O)Nc1ccccc1 ZINC000120002437 646978188 /nfs/dbraw/zinc/97/81/88/646978188.db2.gz JNNYCNZKRNRLCT-KBPBESRZSA-N 0 3 286.331 2.293 20 30 CEEDHN C#CCNC(=O)CN(CC)C[C@H](CC)c1ccccc1 ZINC000775895311 647003525 /nfs/dbraw/zinc/00/35/25/647003525.db2.gz MAUCBSWELAEQEF-HNNXBMFYSA-N 0 3 272.392 2.252 20 30 CEEDHN C[C@@H](CNC(=O)c1sccc1CC#N)N1CCCC1 ZINC000865174874 647197862 /nfs/dbraw/zinc/19/78/62/647197862.db2.gz KBFGKMJFVUKXNU-NSHDSACASA-N 0 3 277.393 2.028 20 30 CEEDHN C#CCCCNCc1c(OC)cc(F)cc1OC ZINC000865477466 647314986 /nfs/dbraw/zinc/31/49/86/647314986.db2.gz DRILGUIIKPMYBQ-UHFFFAOYSA-N 0 3 251.301 2.346 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC=CO2)CC1 ZINC000780415054 647426175 /nfs/dbraw/zinc/42/61/75/647426175.db2.gz LOPGZMFFULETMG-OAHLLOKOSA-N 0 3 293.411 2.019 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)OCCN1CCCCC1 ZINC000782442610 647627268 /nfs/dbraw/zinc/62/72/68/647627268.db2.gz PTPACKCIIIZTHA-OAHLLOKOSA-N 0 3 269.385 2.244 20 30 CEEDHN C[C@H](C#N)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000785712382 647949935 /nfs/dbraw/zinc/94/99/35/647949935.db2.gz IKPDDFJHSGHVTH-GFCCVEGCSA-N 0 3 258.321 2.351 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)Cc1ccccc1F ZINC000121767390 647952210 /nfs/dbraw/zinc/95/22/10/647952210.db2.gz WNMFEDPAWFHAHA-AAEUAGOBSA-N 0 3 290.338 2.238 20 30 CEEDHN C#CCCCNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000868323072 648097260 /nfs/dbraw/zinc/09/72/60/648097260.db2.gz YJIAGRDUXUSJCD-QGZVFWFLSA-N 0 3 299.418 2.282 20 30 CEEDHN CCOC1CC(C(=O)C(C#N)C(=O)Nc2ccccc2)C1 ZINC000805852661 648141384 /nfs/dbraw/zinc/14/13/84/648141384.db2.gz AAHOMTCAWUHYDX-UBHUBRDASA-N 0 3 286.331 2.149 20 30 CEEDHN COCCNC(=O)C(C#N)C(=O)CCCCC(C)(C)C ZINC000805852799 648141861 /nfs/dbraw/zinc/14/18/61/648141861.db2.gz BTSLJVMAYYTVSQ-GFCCVEGCSA-N 0 3 282.384 2.064 20 30 CEEDHN CCC(CC)CNN=C1CCN(CCC(=O)OC)CC1 ZINC000788723615 648218767 /nfs/dbraw/zinc/21/87/67/648218767.db2.gz WFIQNNUKDJRSRE-UHFFFAOYSA-N 0 3 283.416 2.027 20 30 CEEDHN C#C[C@H](CCC)NC(=O)NCCN(C)Cc1ccccc1 ZINC000791017411 648472495 /nfs/dbraw/zinc/47/24/95/648472495.db2.gz NJBPHWSMWFHLNY-MRXNPFEDSA-N 0 3 287.407 2.220 20 30 CEEDHN CC[C@H](NC(C)=O)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000870224764 648734778 /nfs/dbraw/zinc/73/47/78/648734778.db2.gz KCXPEYAHOQMQBO-MNOVXSKESA-N 0 3 293.392 2.357 20 30 CEEDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccccc1CC#N ZINC000874821672 649839372 /nfs/dbraw/zinc/83/93/72/649839372.db2.gz SKFXDXFFMYXHCF-CVEARBPZSA-N 0 3 283.375 2.061 20 30 CEEDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(C#N)ccc1F ZINC000874826279 649842567 /nfs/dbraw/zinc/84/25/67/649842567.db2.gz NGPQAKMDVAMACD-CABCVRRESA-N 0 3 287.338 2.006 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)CCC1 ZINC000874830201 649844457 /nfs/dbraw/zinc/84/44/57/649844457.db2.gz QNESNYPNNXAWGA-ZIAGYGMSSA-N 0 3 262.397 2.428 20 30 CEEDHN C#CCOc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)cc1 ZINC000874835682 649847157 /nfs/dbraw/zinc/84/71/57/649847157.db2.gz AQYHJCLDTNKVSV-IAGOWNOFSA-N 0 3 298.386 2.007 20 30 CEEDHN C=CCN(CCOC)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000878503254 651114733 /nfs/dbraw/zinc/11/47/33/651114733.db2.gz QIBDHBWLGLYWOW-HNNXBMFYSA-N 0 3 283.412 2.097 20 30 CEEDHN N#Cc1cccc(CN(CC2CC2)[C@@H](C(N)=O)C2CC2)c1 ZINC000879486768 651310848 /nfs/dbraw/zinc/31/08/48/651310848.db2.gz QEZHHQZJIANKRT-MRXNPFEDSA-N 0 3 283.375 2.034 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648275 651335032 /nfs/dbraw/zinc/33/50/32/651335032.db2.gz HYJZGNGJVGBVTK-QWHCGFSZSA-N 0 3 289.379 2.051 20 30 CEEDHN C#CCOc1ccc(CN(C)C[C@H]2CCCO2)cc1 ZINC000128067270 651358633 /nfs/dbraw/zinc/35/86/33/651358633.db2.gz XYDKVLZWLLVYSB-MRXNPFEDSA-N 0 3 259.349 2.309 20 30 CEEDHN C=CCOCCN1CCN(CCCOC(C)(C)C)CC1 ZINC000880415404 651438137 /nfs/dbraw/zinc/43/81/37/651438137.db2.gz MYPKPZJIRHSOIS-UHFFFAOYSA-N 0 3 284.444 2.012 20 30 CEEDHN C=CCCn1cc(CN[C@H](CC)[C@@H]2CCCOC2)nn1 ZINC000880468818 651446235 /nfs/dbraw/zinc/44/62/35/651446235.db2.gz CCHNXLPVEOZRLK-UKRRQHHQSA-N 0 3 278.400 2.149 20 30 CEEDHN C#CCC1(O)CCN(CCOc2cccc(F)c2)CC1 ZINC000880478915 651447844 /nfs/dbraw/zinc/44/78/44/651447844.db2.gz NHYYOBUQXQJGMU-UHFFFAOYSA-N 0 3 277.339 2.055 20 30 CEEDHN Cc1nc(C#N)cc(N(C)CCCN(C)Cc2ccco2)n1 ZINC000882360923 652044540 /nfs/dbraw/zinc/04/45/40/652044540.db2.gz WBXFOMKFFZMZRP-UHFFFAOYSA-N 0 3 299.378 2.208 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccccc1OCC(F)(F)F ZINC000883123626 652369400 /nfs/dbraw/zinc/36/94/00/652369400.db2.gz FCSZLTTUAJNKLS-LBPRGKRZSA-N 0 3 287.281 2.102 20 30 CEEDHN C#CC[C@H](CO)NCc1ccc(OCC=C)c(Cl)c1 ZINC000883123571 652369530 /nfs/dbraw/zinc/36/95/30/652369530.db2.gz CEPNRJXTNFSVDB-CYBMUJFWSA-N 0 3 279.767 2.379 20 30 CEEDHN CC#CC[C@H](CO)NCc1c(C2CC2)nc2sccn12 ZINC000883156913 652382239 /nfs/dbraw/zinc/38/22/39/652382239.db2.gz FPMYPFQACITWCS-GFCCVEGCSA-N 0 3 289.404 2.137 20 30 CEEDHN C#Cc1ccc(CNC[C@@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000883368492 652446622 /nfs/dbraw/zinc/44/66/22/652446622.db2.gz RSDKMLRQDBTTLS-LLVKDONJSA-N 0 3 293.235 2.316 20 30 CEEDHN N#Cc1csc(CNC2CCC3(COC3)CC2)n1 ZINC000883389479 652451923 /nfs/dbraw/zinc/45/19/23/652451923.db2.gz RIGQPHPNMPEJIB-UHFFFAOYSA-N 0 3 263.366 2.064 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cn2cc(C)ccc2n1 ZINC000883400909 652456767 /nfs/dbraw/zinc/45/67/67/652456767.db2.gz XYVYBTJIGREUHH-ZDUSSCGKSA-N 0 3 259.353 2.059 20 30 CEEDHN C#CC1(NC(=O)NC[C@H]2CCN2C(C)(C)C)CCCC1 ZINC000883769703 652555740 /nfs/dbraw/zinc/55/57/40/652555740.db2.gz ZVXHSECMZRJDBQ-CYBMUJFWSA-N 0 3 277.412 2.104 20 30 CEEDHN C[C@H](c1ccccc1)N(C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884057939 652675117 /nfs/dbraw/zinc/67/51/17/652675117.db2.gz VWJASCQUMUBYDP-ZFRYHDOHSA-N 0 3 297.402 2.345 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)CC1 ZINC000884161875 652736862 /nfs/dbraw/zinc/73/68/62/652736862.db2.gz OSLXBSKEAJCEOY-UGQVUOCMSA-N 0 3 291.439 2.228 20 30 CEEDHN CCC(C)(C)[C@@H](C)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884400815 652834649 /nfs/dbraw/zinc/83/46/49/652834649.db2.gz VBMHJVVQKLXAPB-ZMDMRTEPSA-N 0 3 277.412 2.067 20 30 CEEDHN CCC(C)(C)CCNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884454461 652859117 /nfs/dbraw/zinc/85/91/17/652859117.db2.gz OVZJYMRJLWPCLM-MFOWVQHXSA-N 0 3 277.412 2.068 20 30 CEEDHN Cc1ccnc(N2CCN(C3CCCC3)CC2)c1C#N ZINC000135075126 721853650 /nfs/dbraw/zinc/85/36/50/721853650.db2.gz MYBZLPCLGQEPCP-UHFFFAOYSA-N 0 3 270.380 2.326 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@H](C)COC)CC2 ZINC001270863359 805622544 /nfs/dbraw/zinc/62/25/44/805622544.db2.gz GAVPYVFWOIUTKU-HNNXBMFYSA-N 0 3 294.439 2.160 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccncc2C)[C@H]1CC ZINC001087571958 805753841 /nfs/dbraw/zinc/75/38/41/805753841.db2.gz URJLCHFFOBYGJG-JKSUJKDBSA-N 0 3 287.407 2.088 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2occc2CC)[C@H]1CC ZINC001087714600 805777120 /nfs/dbraw/zinc/77/71/20/805777120.db2.gz VUINNPDTUZNHPZ-LSDHHAIUSA-N 0 3 288.391 2.448 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CC23CCC3)[C@H]1CC ZINC001087742704 805784173 /nfs/dbraw/zinc/78/41/73/805784173.db2.gz AUGLBCDXYRIPLV-MELADBBJSA-N 0 3 262.397 2.332 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)C3CCCCCC3)C[C@@H]2C1 ZINC001087907322 805848870 /nfs/dbraw/zinc/84/88/70/805848870.db2.gz ZNVJJCYAVBRHFQ-SJORKVTESA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)on2)C1 ZINC001098713144 805871185 /nfs/dbraw/zinc/87/11/85/805871185.db2.gz LEDKNNDUYNAXBG-BBRMVZONSA-N 0 3 289.379 2.143 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3C=CCCC3)C[C@@H]2C1 ZINC001088010347 805880004 /nfs/dbraw/zinc/88/00/04/805880004.db2.gz RHXGMFCWCOGGIS-ZACQAIPSSA-N 0 3 286.419 2.146 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](C)C(C)(C)C)C[C@@H]2C1 ZINC001088013174 805881812 /nfs/dbraw/zinc/88/18/12/805881812.db2.gz SYRYOLLCVBIACU-ZNMIVQPWSA-N 0 3 276.424 2.082 20 30 CEEDHN C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC(C)C)nc1 ZINC001029558741 805947418 /nfs/dbraw/zinc/94/74/18/805947418.db2.gz SLBACFREUXKEQH-IYBDPMFKSA-N 0 3 297.402 2.008 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc(C)ccc3C)C[C@@H]2C1 ZINC001088182417 805966433 /nfs/dbraw/zinc/96/64/33/805966433.db2.gz IXNDKXMGWWUXEA-SJORKVTESA-N 0 3 296.414 2.331 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccccc2C)[C@H]1C ZINC001088453012 806252202 /nfs/dbraw/zinc/25/22/02/806252202.db2.gz QCIXVGMWIARQEZ-ZBFHGGJFSA-N 0 3 270.376 2.211 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1ccc(OC)c(F)c1 ZINC001272040632 806364324 /nfs/dbraw/zinc/36/43/24/806364324.db2.gz CGGTUOAHPMIVLO-UHFFFAOYSA-N 0 3 280.343 2.024 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(F)c2C)[C@H]1C ZINC001088582706 806479531 /nfs/dbraw/zinc/47/95/31/806479531.db2.gz DWJKTZVPQWBQJK-CJNGLKHVSA-N 0 3 288.366 2.350 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)[C@@H](C)c1ccsc1 ZINC001272104575 806552847 /nfs/dbraw/zinc/55/28/47/806552847.db2.gz FITHQZJSGBFPBO-LBPRGKRZSA-N 0 3 266.410 2.428 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C(C)C)nc2)[C@H]1C ZINC001088622224 806569789 /nfs/dbraw/zinc/56/97/89/806569789.db2.gz MAUKEFREXCUKRA-PBHICJAKSA-N 0 3 299.418 2.421 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCC3(F)F)[C@@H]2C1 ZINC001075929608 806571627 /nfs/dbraw/zinc/57/16/27/806571627.db2.gz ZRWQRECLNKFUGW-RWMBFGLXSA-N 0 3 284.350 2.141 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CCCCC2(F)F)[C@H]1C ZINC001088770742 806713488 /nfs/dbraw/zinc/71/34/88/806713488.db2.gz BSRFOPZIJBBZRN-MCIONIFRSA-N 0 3 298.377 2.414 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccn(CC)c2C)[C@H]1C ZINC001088809434 806740946 /nfs/dbraw/zinc/74/09/46/806740946.db2.gz SJXBAOGBJZODKS-HIFRSBDPSA-N 0 3 275.396 2.195 20 30 CEEDHN C=CCCC(=O)N[C@H]1CCC[C@@H]1CNCc1cscn1 ZINC001272243610 806780206 /nfs/dbraw/zinc/78/02/06/806780206.db2.gz LPCYQRABBCOIPT-OCCSQVGLSA-N 0 3 293.436 2.484 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@H](F)C(C)C)C2)C1 ZINC001040339728 806790938 /nfs/dbraw/zinc/79/09/38/806790938.db2.gz CYKNNWLUEWVVHP-WBVHZDCISA-N 0 3 294.414 2.318 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC)[C@@H]2C1 ZINC001076264539 806830032 /nfs/dbraw/zinc/83/00/32/806830032.db2.gz FMQSJCQBQRMATB-LXTVHRRPSA-N 0 3 262.397 2.141 20 30 CEEDHN CN(CCNC(=O)C#CC1CC1)Cc1ccc2c(c1)CCC2 ZINC001266272782 802345492 /nfs/dbraw/zinc/34/54/92/802345492.db2.gz BRNFDETZABJMHN-UHFFFAOYSA-N 0 3 296.414 2.137 20 30 CEEDHN C=CCC[C@H](C)N1CC[C@H](NC(=O)c2cncs2)C1 ZINC001266304868 802418696 /nfs/dbraw/zinc/41/86/96/802418696.db2.gz GUBLEJWSTIBFRC-RYUDHWBXSA-N 0 3 279.409 2.302 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)C/C=C\Cc2ccccc2)C1 ZINC001266326186 802441191 /nfs/dbraw/zinc/44/11/91/802441191.db2.gz ZCVTYXRIMFBWGD-JTHGQSKGSA-N 0 3 296.414 2.389 20 30 CEEDHN CCCCCCCN1CC[C@@H](NC(=O)c2ccnnc2)C1 ZINC001266345478 802468772 /nfs/dbraw/zinc/46/87/72/802468772.db2.gz VBOYZDUDXFEGIS-OAHLLOKOSA-N 0 3 290.411 2.251 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001038173226 802481787 /nfs/dbraw/zinc/48/17/87/802481787.db2.gz KMVTUEYIMNCKLY-QWHCGFSZSA-N 0 3 250.386 2.189 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@@H](CC)C(C)(C)C)C[C@@H]2C1 ZINC001279409464 802610381 /nfs/dbraw/zinc/61/03/81/802610381.db2.gz BALBNVSVDQESHV-OWCLPIDISA-N 0 3 290.451 2.472 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)Cc2ccco2)C1 ZINC001034454359 809611421 /nfs/dbraw/zinc/61/14/21/809611421.db2.gz TYNQRRTVHXUGAW-AWEZNQCLSA-N 0 3 276.380 2.369 20 30 CEEDHN CN1CC[C@H](Nc2ccc(C#C[Si](C)(C)C)cn2)C1 ZINC001167270229 802620233 /nfs/dbraw/zinc/62/02/33/802620233.db2.gz OOTOEQCWXSLIKK-AWEZNQCLSA-N 0 3 273.456 2.427 20 30 CEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001266481636 802624610 /nfs/dbraw/zinc/62/46/10/802624610.db2.gz YZLDPZHCMGOZNL-TUVASFSCSA-N 0 3 275.396 2.176 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H](C)OC ZINC001266483765 802626206 /nfs/dbraw/zinc/62/62/06/802626206.db2.gz DHLCBRYZGHBDOZ-KFWWJZLASA-N 0 3 280.412 2.053 20 30 CEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CO[C@H](C)CC ZINC001266483947 802626256 /nfs/dbraw/zinc/62/62/56/802626256.db2.gz KSJXJQXSIMZKOX-OAGGEKHMSA-N 0 3 294.439 2.443 20 30 CEEDHN C=CCN(CCNC(=O)c1ccccc1F)C1CC1 ZINC001266581419 802741021 /nfs/dbraw/zinc/74/10/21/802741021.db2.gz AHZMQTWTXPGMOR-UHFFFAOYSA-N 0 3 262.328 2.206 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CC12CCC2 ZINC001167379495 802752778 /nfs/dbraw/zinc/75/27/78/802752778.db2.gz CZBBNWVDQNKSQI-LLVKDONJSA-N 0 3 256.777 2.025 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnc2cc[nH]c2c1 ZINC001038384848 807005204 /nfs/dbraw/zinc/00/52/04/807005204.db2.gz FDQAJALCYRLWAR-CQSZACIVSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C/C1CC1 ZINC001039351536 802844442 /nfs/dbraw/zinc/84/44/42/802844442.db2.gz LKLDRDKHCYATHJ-ZRJDUIELSA-N 0 3 260.381 2.204 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cncc3[nH]ccc32)C1 ZINC001046443512 811755655 /nfs/dbraw/zinc/75/56/55/811755655.db2.gz GFHLDXLNDWSIIA-KRWDZBQOSA-N 0 3 298.390 2.333 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)/C=C\c2ccco2)C1 ZINC001266737201 802872588 /nfs/dbraw/zinc/87/25/88/802872588.db2.gz MQUOIIWXJZRQJJ-WHLNPGIBSA-N 0 3 286.375 2.144 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)/C=C\c2ccco2)C1 ZINC001266737199 802872831 /nfs/dbraw/zinc/87/28/31/802872831.db2.gz MQUOIIWXJZRQJJ-CDNLZTBQSA-N 0 3 286.375 2.144 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N(C)CCNC[C@@H](F)CC ZINC001266827949 802928415 /nfs/dbraw/zinc/92/84/15/802928415.db2.gz HENPPERXDBSTMQ-JSGCOSHPSA-N 0 3 258.381 2.385 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnccc1C ZINC001038138440 802939081 /nfs/dbraw/zinc/93/90/81/802939081.db2.gz UHMWZVFAWJNZBU-CQSZACIVSA-N 0 3 273.380 2.160 20 30 CEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC=C ZINC001266886574 802970193 /nfs/dbraw/zinc/97/01/93/802970193.db2.gz NTKVXGULUVXWNR-CVEARBPZSA-N 0 3 274.408 2.431 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)CCCC)C1 ZINC001266894230 802974574 /nfs/dbraw/zinc/97/45/74/802974574.db2.gz YGCPNVWZFQRGPB-KGLIPLIRSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2(C)CCC2)C1 ZINC001266893748 802974763 /nfs/dbraw/zinc/97/47/63/802974763.db2.gz DINJZBGRGXDSDB-ZIAGYGMSSA-N 0 3 262.397 2.027 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccoc1C ZINC001038039539 803022092 /nfs/dbraw/zinc/02/20/92/803022092.db2.gz KYZUATACHDFELS-CYBMUJFWSA-N 0 3 262.353 2.358 20 30 CEEDHN C[C@H](c1ccccc1)N(C)CCNC(=O)C#CC1CC1 ZINC001267194809 803218856 /nfs/dbraw/zinc/21/88/56/803218856.db2.gz YSGBRNFNLLZMIF-CQSZACIVSA-N 0 3 270.376 2.209 20 30 CEEDHN C=CCN(C)CCNC(=O)[C@H](C)OCc1ccccc1C ZINC001267209347 803233827 /nfs/dbraw/zinc/23/38/27/803233827.db2.gz VAQIGHSQNABSDA-HNNXBMFYSA-N 0 3 290.407 2.134 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)C[C@@H](C)n1cccc1 ZINC001267226369 803254187 /nfs/dbraw/zinc/25/41/87/803254187.db2.gz HBPLYJCKRNKWDL-CQSZACIVSA-N 0 3 263.385 2.063 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](C)c1cccnc1 ZINC001267280478 803325763 /nfs/dbraw/zinc/32/57/63/803325763.db2.gz DTXILIVWHNSFMA-ZBFHGGJFSA-N 0 3 287.407 2.342 20 30 CEEDHN C=C(C)CN(CCNC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001267321791 803364678 /nfs/dbraw/zinc/36/46/78/803364678.db2.gz MZQVSCYRRLCLGA-OAHLLOKOSA-N 0 3 280.412 2.102 20 30 CEEDHN Cc1ccoc1C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001267347436 803396033 /nfs/dbraw/zinc/39/60/33/803396033.db2.gz XXTCEDCWZRNYJG-UHFFFAOYSA-N 0 3 297.358 2.322 20 30 CEEDHN C=C[C@@H](CC)CC(=O)N(C)CCNCc1cccnc1 ZINC001267416639 803461903 /nfs/dbraw/zinc/46/19/03/803461903.db2.gz UTOWXSKUJUGSQQ-AWEZNQCLSA-N 0 3 275.396 2.232 20 30 CEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)CC(C)(F)F ZINC001267425079 803463485 /nfs/dbraw/zinc/46/34/85/803463485.db2.gz MDFAQBPQKFXWIX-UHFFFAOYSA-N 0 3 295.333 2.152 20 30 CEEDHN CC#CCNCCN(C)C(=O)C1(c2ccc(C)cc2)CCC1 ZINC001267476378 803500241 /nfs/dbraw/zinc/50/02/41/803500241.db2.gz AUDDYFYZTWPZJK-UHFFFAOYSA-N 0 3 298.430 2.488 20 30 CEEDHN C=C(C)CCC(=O)N(CCC)[C@@H]1CCN(CCCO)C1 ZINC001267542531 803538320 /nfs/dbraw/zinc/53/83/20/803538320.db2.gz YNTSJVVCUJASFV-OAHLLOKOSA-N 0 3 282.428 2.038 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001038325752 803595310 /nfs/dbraw/zinc/59/53/10/803595310.db2.gz ZUPKWJKQOCBKKH-VXGBXAGGSA-N 0 3 272.339 2.188 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](CN(C)CCF)C1 ZINC001267681488 803655872 /nfs/dbraw/zinc/65/58/72/803655872.db2.gz AHCQNOYDBFGMPB-UKRRQHHQSA-N 0 3 270.392 2.339 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CC=CCC3)[C@@H]2C1 ZINC001075539895 803671491 /nfs/dbraw/zinc/67/14/91/803671491.db2.gz ZFFXNELTKNTPBD-HRCADAONSA-N 0 3 274.408 2.452 20 30 CEEDHN C=C(C)CCC(=O)N(C)[C@H]1CCN(CC(=C)C)C1 ZINC001267764711 803718801 /nfs/dbraw/zinc/71/88/01/803718801.db2.gz XXPUNCDGCSLDHK-AWEZNQCLSA-N 0 3 250.386 2.452 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@@H]2CCCOC2)C1 ZINC001267789965 803733689 /nfs/dbraw/zinc/73/36/89/803733689.db2.gz LIVFANQQTIDYEK-JKSUJKDBSA-N 0 3 294.439 2.302 20 30 CEEDHN C=C(C)C[NH2+]C[C@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001267848301 803771657 /nfs/dbraw/zinc/77/16/57/803771657.db2.gz DZDRPGIKWPHTBY-KRWDZBQOSA-N 0 3 288.391 2.456 20 30 CEEDHN CCC(=O)N1C[C@@H](NCC#Cc2ccccc2)C[C@@H]1C ZINC001283951748 803834064 /nfs/dbraw/zinc/83/40/64/803834064.db2.gz URQJHPHXQQNRIV-HOCLYGCPSA-N 0 3 270.376 2.027 20 30 CEEDHN C#CCCCCC(=O)NCCNCc1csc(C)c1 ZINC001125938850 803853418 /nfs/dbraw/zinc/85/34/18/803853418.db2.gz MJGCMOMXANNUNL-UHFFFAOYSA-N 0 3 278.421 2.456 20 30 CEEDHN C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001026999769 803935370 /nfs/dbraw/zinc/93/53/70/803935370.db2.gz ASLXCZVGBUJJSW-ZQIUZPCESA-N 0 3 297.402 2.152 20 30 CEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H](F)CC)C[C@@H](C)O2 ZINC001098623675 803970381 /nfs/dbraw/zinc/97/03/81/803970381.db2.gz NUHBLUJFYPCXOL-KGLIPLIRSA-N 0 3 298.402 2.002 20 30 CEEDHN CC(=O)N1CCC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001027255685 803998126 /nfs/dbraw/zinc/99/81/26/803998126.db2.gz LPMHPBLHSMFFIG-INIZCTEOSA-N 0 3 271.364 2.001 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001027261757 804001909 /nfs/dbraw/zinc/00/19/09/804001909.db2.gz HGQJPNIGMWNNFN-QGZVFWFLSA-N 0 3 297.402 2.391 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001027418328 804065435 /nfs/dbraw/zinc/06/54/35/804065435.db2.gz YBHIZWGLBROLHU-YYIAUSFCSA-N 0 3 286.419 2.145 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)c2cccs2)C1 ZINC001027571751 804130864 /nfs/dbraw/zinc/13/08/64/804130864.db2.gz GIORYEUVCJLZGH-KBPBESRZSA-N 0 3 290.432 2.408 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](CC)SC)CCC[C@H]12 ZINC001284049587 804141396 /nfs/dbraw/zinc/14/13/96/804141396.db2.gz DJXRCWVAULGTIQ-VNHYZAJKSA-N 0 3 282.453 2.427 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2ccsc2C)C1 ZINC001027604601 804148695 /nfs/dbraw/zinc/14/86/95/804148695.db2.gz RCEYRFKDZVHTEK-HNNXBMFYSA-N 0 3 290.432 2.155 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnn(CCC)c1 ZINC001038766488 804185127 /nfs/dbraw/zinc/18/51/27/804185127.db2.gz HGVJTWOAKALFAL-OAHLLOKOSA-N 0 3 290.411 2.063 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccn2C(C)C)C1 ZINC001027685669 804195409 /nfs/dbraw/zinc/19/54/09/804195409.db2.gz OSDGGPYOVFWLIV-HNNXBMFYSA-N 0 3 287.407 2.239 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cncc(C)c1 ZINC001027805008 804267931 /nfs/dbraw/zinc/26/79/31/804267931.db2.gz LPISAEGOVIZQTN-OAHLLOKOSA-N 0 3 273.380 2.160 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cncc(C)c1 ZINC001027805007 804268417 /nfs/dbraw/zinc/26/84/17/804268417.db2.gz LPISAEGOVIZQTN-HNNXBMFYSA-N 0 3 273.380 2.160 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001027857033 804300732 /nfs/dbraw/zinc/30/07/32/804300732.db2.gz AEDNFMKHBFHFTP-SRVKXCTJSA-N 0 3 272.339 2.044 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cnc2cc[nH]c2c1 ZINC001027962039 804365947 /nfs/dbraw/zinc/36/59/47/804365947.db2.gz KDGVZDSFOQQXNH-CQSZACIVSA-N 0 3 298.390 2.333 20 30 CEEDHN CC[C@@H](F)CNC[C@@H](C)N(C)C(=O)C#CC(C)(C)C ZINC001268063663 804369436 /nfs/dbraw/zinc/36/94/36/804369436.db2.gz OWVSYNFQXQLVHT-CHWSQXEVSA-N 0 3 270.392 2.221 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001027970820 804372028 /nfs/dbraw/zinc/37/20/28/804372028.db2.gz RTWRWYODMYMDPI-CQSZACIVSA-N 0 3 298.390 2.333 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001028052475 804415284 /nfs/dbraw/zinc/41/52/84/804415284.db2.gz IXQJUFYFUCVAST-ZDUSSCGKSA-N 0 3 289.379 2.016 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc2cccnn21 ZINC001028186323 804522272 /nfs/dbraw/zinc/52/22/72/804522272.db2.gz HUKVMZSUZNVXOI-HNNXBMFYSA-N 0 3 298.390 2.105 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1c(C)noc1C(F)F ZINC001268240935 804567962 /nfs/dbraw/zinc/56/79/62/804567962.db2.gz GQGLLPOFYGIPNC-UHFFFAOYSA-N 0 3 287.310 2.110 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001028233244 804593617 /nfs/dbraw/zinc/59/36/17/804593617.db2.gz ACJRAMCWBNYSIL-ZDUSSCGKSA-N 0 3 273.380 2.272 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCCN2CC=C(C)C)nc1 ZINC001028271170 804646368 /nfs/dbraw/zinc/64/63/68/804646368.db2.gz AOYUTKMPYCLTRA-MRXNPFEDSA-N 0 3 297.402 2.223 20 30 CEEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1C ZINC001268432188 804668275 /nfs/dbraw/zinc/66/82/75/804668275.db2.gz SFHVRIWPCVVEQU-BBRMVZONSA-N 0 3 285.391 2.152 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc(Cl)o2)C1 ZINC001028411167 804757675 /nfs/dbraw/zinc/75/76/75/804757675.db2.gz MGOVLKIPVCOVKI-NSHDSACASA-N 0 3 280.755 2.008 20 30 CEEDHN CC#CCNCCN(CC)C(=O)[C@H](F)Cc1ccccc1 ZINC001268499286 804768901 /nfs/dbraw/zinc/76/89/01/804768901.db2.gz ISWHFISQAPNOLA-MRXNPFEDSA-N 0 3 290.382 2.029 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccn(C)c2C)[C@H]1C ZINC001088842640 804826559 /nfs/dbraw/zinc/82/65/59/804826559.db2.gz RVJUDMJZEBYKDC-HIFRSBDPSA-N 0 3 275.396 2.102 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2sccc2Cl)C1 ZINC001028559021 804836597 /nfs/dbraw/zinc/83/65/97/804836597.db2.gz BFBXYCMLTJWKMT-SNVBAGLBSA-N 0 3 282.796 2.086 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2sc(C)cc2C)C1 ZINC001028569961 804841670 /nfs/dbraw/zinc/84/16/70/804841670.db2.gz WDNRBDKQYKEBED-CQSZACIVSA-N 0 3 290.432 2.440 20 30 CEEDHN C=C1CC(C)(C(=O)NC/C=C/CNC/C=C/Cl)C1 ZINC001268589727 804858223 /nfs/dbraw/zinc/85/82/23/804858223.db2.gz GXQYXAXYRSJQNP-VNKDHWASSA-N 0 3 268.788 2.357 20 30 CEEDHN CC#CCNC/C=C/CNC(=O)C[C@H](CC)C(C)C ZINC001268616661 804892188 /nfs/dbraw/zinc/89/21/88/804892188.db2.gz JMRLBDFTKKMIBP-HVHJFMEUSA-N 0 3 264.413 2.344 20 30 CEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccccc1 ZINC001268775191 804968340 /nfs/dbraw/zinc/96/83/40/804968340.db2.gz JZQLTURQJMOGTC-UHFFFAOYSA-N 0 3 266.772 2.491 20 30 CEEDHN 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C=CCN1CC[C@]2(CCCN(Cc3cnoc3)CC2)C1=O ZINC001272709018 808229307 /nfs/dbraw/zinc/22/93/07/808229307.db2.gz BSHDFZPJTUWEQK-MRXNPFEDSA-N 0 3 289.379 2.065 20 30 CEEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)CC2CC2)C1 ZINC001107682023 808495469 /nfs/dbraw/zinc/49/54/69/808495469.db2.gz PNIOTJOVBXYHNT-WMLDXEAASA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCCC(=O)NC[C@@]1(C)CN(C[C@H](C)CC)CCO1 ZINC001107802673 808533221 /nfs/dbraw/zinc/53/32/21/808533221.db2.gz WOFPWFISXUUBNK-ZBFHGGJFSA-N 0 3 282.428 2.206 20 30 CEEDHN N#Cc1ccc(F)c(-c2noc([C@@H]3CCNC[C@@H]3F)n2)c1 ZINC001205206252 808536689 /nfs/dbraw/zinc/53/66/89/808536689.db2.gz BELCAXHKMOCWKL-SKDRFNHKSA-N 0 3 290.273 2.162 20 30 CEEDHN CC(C)(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032396661 808571578 /nfs/dbraw/zinc/57/15/78/808571578.db2.gz BYPVWRBATOTPCJ-GJZGRUSLSA-N 0 3 274.408 2.121 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC1 ZINC001032557385 808697051 /nfs/dbraw/zinc/69/70/51/808697051.db2.gz ICNXVEGMTRCWGP-KBPBESRZSA-N 0 3 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ZINC001033742307 809400723 /nfs/dbraw/zinc/40/07/23/809400723.db2.gz JEUQOHAVNPZFNE-AWEZNQCLSA-N 0 3 274.364 2.148 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCCCO2)C1 ZINC001033792435 809420400 /nfs/dbraw/zinc/42/04/00/809420400.db2.gz PMHQYRZFOJARKL-GJZGRUSLSA-N 0 3 280.412 2.054 20 30 CEEDHN CCO[C@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000701709372 809450761 /nfs/dbraw/zinc/45/07/61/809450761.db2.gz PUBMYGBHQAXIBB-HNNXBMFYSA-N 0 3 260.337 2.048 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001033918925 809452254 /nfs/dbraw/zinc/45/22/54/809452254.db2.gz GVBBIPMHCFINMD-MJBXVCDLSA-N 0 3 250.386 2.141 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001033918924 809453282 /nfs/dbraw/zinc/45/32/82/809453282.db2.gz GVBBIPMHCFINMD-IHRRRGAJSA-N 0 3 250.386 2.141 20 30 CEEDHN C=C1CCC(C(=O)N(CC)[C@@H]2CCN(CCOC)C2)CC1 ZINC001033943716 809462256 /nfs/dbraw/zinc/46/22/56/809462256.db2.gz BFBABMQJJZYBAC-MRXNPFEDSA-N 0 3 294.439 2.302 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001033968946 809466473 /nfs/dbraw/zinc/46/64/73/809466473.db2.gz RTLDLLSBRXTPCA-QLFBSQMISA-N 0 3 280.412 2.053 20 30 CEEDHN CC(=O)N[C@@H]1CCCCN(Cc2ccc(C#N)cc2)C1 ZINC001034064025 809495028 /nfs/dbraw/zinc/49/50/28/809495028.db2.gz GTNJEVVJKNPYRZ-MRXNPFEDSA-N 0 3 271.364 2.049 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001034080852 809502124 /nfs/dbraw/zinc/50/21/24/809502124.db2.gz PPFMBWFUWJHEJR-OAHLLOKOSA-N 0 3 258.365 2.457 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C)n2C)C1 ZINC001034099370 809511592 /nfs/dbraw/zinc/51/15/92/809511592.db2.gz BVXXXSOVHLWTAJ-CQSZACIVSA-N 0 3 275.396 2.104 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001034101075 809512782 /nfs/dbraw/zinc/51/27/82/809512782.db2.gz HRDCDXZLKMMLCN-LSDHHAIUSA-N 0 3 262.397 2.499 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccncc2F)C1 ZINC001034137090 809527407 /nfs/dbraw/zinc/52/74/07/809527407.db2.gz AEABUGZFPBKGLE-ZDUSSCGKSA-N 0 3 291.370 2.381 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC001034185155 809544120 /nfs/dbraw/zinc/54/41/20/809544120.db2.gz UKQIUXVJHQSMGN-HZPDHXFCSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@@]1(C)CN(C[C@@H](C)CC)CCO1 ZINC001108119629 809546717 /nfs/dbraw/zinc/54/67/17/809546717.db2.gz RIEVCDVPSAEEAI-YOEHRIQHSA-N 0 3 296.455 2.452 20 30 CEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001034283921 809571216 /nfs/dbraw/zinc/57/12/16/809571216.db2.gz ZVKAMWQFDKRETP-INIZCTEOSA-N 0 3 299.418 2.306 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC001034288115 809572592 /nfs/dbraw/zinc/57/25/92/809572592.db2.gz FKLBLGGBYRECMS-ZDUSSCGKSA-N 0 3 298.390 2.333 20 30 CEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(C)co2)C1 ZINC001034352774 809587473 /nfs/dbraw/zinc/58/74/73/809587473.db2.gz SQFBUJSOZVYMCQ-AWEZNQCLSA-N 0 3 274.364 2.196 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)CC2CC(OCC)C2)C1 ZINC001034370557 809589196 /nfs/dbraw/zinc/58/91/96/809589196.db2.gz YEAZHZWSKAGHRJ-HWOWSKLDSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)c2cccnc2)C1 ZINC001034490920 809616626 /nfs/dbraw/zinc/61/66/26/809616626.db2.gz NYAPLCWTRSKBNK-GDBMZVCRSA-N 0 3 287.407 2.342 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2cccnc2)C1 ZINC001034490921 809616893 /nfs/dbraw/zinc/61/68/93/809616893.db2.gz NYAPLCWTRSKBNK-GOEBONIOSA-N 0 3 287.407 2.342 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2[nH]cnc2CC)C1 ZINC001034506840 809621493 /nfs/dbraw/zinc/62/14/93/809621493.db2.gz QIRBJTVNXWPNMB-CYBMUJFWSA-N 0 3 290.411 2.133 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C)SC)CC2 ZINC001035654745 809797078 /nfs/dbraw/zinc/79/70/78/809797078.db2.gz AVBJUWZAVVKBOP-ZDUSSCGKSA-N 0 3 282.453 2.238 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@@H](C)C1CC1)CC2 ZINC001035857486 809825997 /nfs/dbraw/zinc/82/59/97/809825997.db2.gz NKQAYCLIBHQOAY-OAHLLOKOSA-N 0 3 288.435 2.370 20 30 CEEDHN N#Cc1ccc2c(c1)CN([C@H]1CCN3C(=O)CC[C@@H]3C1)CC2 ZINC001172164691 815326564 /nfs/dbraw/zinc/32/65/64/815326564.db2.gz 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/nfs/dbraw/zinc/21/55/32/810215532.db2.gz WOMORGNYLBCAGG-MBNYWOFBSA-N 0 3 250.386 2.045 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC001079583630 810222342 /nfs/dbraw/zinc/22/23/42/810222342.db2.gz YNFVYFJSJBNPAG-QLFBSQMISA-N 0 3 275.396 2.062 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001079633452 810225757 /nfs/dbraw/zinc/22/57/57/810225757.db2.gz AMJPGVYMGLUAKW-ZYHUDNBSSA-N 0 3 280.755 2.006 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001080070236 810246401 /nfs/dbraw/zinc/24/64/01/810246401.db2.gz XLZLDIUKFUWPJT-CXAGYDPISA-N 0 3 295.386 2.471 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC001014986039 810249583 /nfs/dbraw/zinc/24/95/83/810249583.db2.gz ZISCGRUEAXNWQS-QGZVFWFLSA-N 0 3 284.403 2.005 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001080179362 810254572 /nfs/dbraw/zinc/25/45/72/810254572.db2.gz FSDVJPBILMSXNV-DRRXZNNHSA-N 0 3 288.435 2.273 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001015230878 810269496 /nfs/dbraw/zinc/26/94/96/810269496.db2.gz ZTXQRHVAGMEANW-LBPRGKRZSA-N 0 3 291.395 2.352 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccnc3ccncc32)C1 ZINC001015399965 810285585 /nfs/dbraw/zinc/28/55/85/810285585.db2.gz ZGGPYIYKMCGYTM-ZDUSSCGKSA-N 0 3 296.374 2.010 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001080490952 810287000 /nfs/dbraw/zinc/28/70/00/810287000.db2.gz OEDUWFCICJQTFN-HZPDHXFCSA-N 0 3 284.403 2.377 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(CC[C@@H](C)F)C2)cc1 ZINC001015479277 810293767 /nfs/dbraw/zinc/29/37/67/810293767.db2.gz AJMYBNWCQXNIHU-CJNGLKHVSA-N 0 3 288.366 2.220 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001015472034 810293959 /nfs/dbraw/zinc/29/39/59/810293959.db2.gz XEWZEMZDHGOISK-AWEZNQCLSA-N 0 3 299.349 2.134 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001015654961 810325917 /nfs/dbraw/zinc/32/59/17/810325917.db2.gz JKLZNEAIDDQFQI-ZDUSSCGKSA-N 0 3 290.794 2.476 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001015689244 810333220 /nfs/dbraw/zinc/33/32/20/810333220.db2.gz KGTOJXFFQQCVMO-GXTWGEPZSA-N 0 3 276.405 2.065 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC)C[C@H]1c1ccccc1 ZINC001081183152 810334281 /nfs/dbraw/zinc/33/42/81/810334281.db2.gz DSFZBNLBTDKCEE-NRSFXHEJSA-N 0 3 296.414 2.250 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)[C@H](OC)C1 ZINC001081936131 810355650 /nfs/dbraw/zinc/35/56/50/810355650.db2.gz NAQDKMPXOCFUMQ-KBUPBQIOSA-N 0 3 294.439 2.060 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001015831564 810363522 /nfs/dbraw/zinc/36/35/22/810363522.db2.gz CFUQAQZDJSVEGR-LBPRGKRZSA-N 0 3 293.436 2.394 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2(C)CC=CC2)[C@H](OC)C1 ZINC001082100580 810364169 /nfs/dbraw/zinc/36/41/69/810364169.db2.gz OPRCWHFNIUONPO-HUUCEWRRSA-N 0 3 292.423 2.124 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)[C@H](OC)C1 ZINC001082153662 810367546 /nfs/dbraw/zinc/36/75/46/810367546.db2.gz UHLXFVLZWMUYPR-KLHDSHLOSA-N 0 3 294.439 2.060 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)c2ccc(C)cc2)[C@H](OC)C1 ZINC001082340761 810375932 /nfs/dbraw/zinc/37/59/32/810375932.db2.gz FROKXOXIKLHTBD-HZPDHXFCSA-N 0 3 288.391 2.000 20 30 CEEDHN CCCCCCCC[C@H](N)C(=O)N[C@H](C)c1nncn1C ZINC001121909534 815365435 /nfs/dbraw/zinc/36/54/35/815365435.db2.gz UQMIAKQRNYAFMU-OLZOCXBDSA-N 0 3 295.431 2.070 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001016190263 810411702 /nfs/dbraw/zinc/41/17/02/810411702.db2.gz JLXAKZNECINKFK-KRWDZBQOSA-N 0 3 284.403 2.060 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C[C@@H]2C=CCC2)CC1 ZINC001016501280 810447048 /nfs/dbraw/zinc/44/70/48/810447048.db2.gz ZCWNVAJZDZYGOO-HZPDHXFCSA-N 0 3 286.419 2.337 20 30 CEEDHN Cc1cccc(CN2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)[C@@H]3C2)c1 ZINC001084233156 810453508 /nfs/dbraw/zinc/45/35/08/810453508.db2.gz VHQBZWYOKSNVLB-USXIJHARSA-N 0 3 297.402 2.187 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ncccc3C)[C@@H]2C1 ZINC001084265321 810455442 /nfs/dbraw/zinc/45/54/42/810455442.db2.gz VUOGQNBOOWQFCA-HUUCEWRRSA-N 0 3 285.391 2.112 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccsc2C)CC1 ZINC001016614105 810458358 /nfs/dbraw/zinc/45/83/58/810458358.db2.gz JKFFVLSMAVYWAA-CQSZACIVSA-N 0 3 288.416 2.274 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3=CCCC3)[C@@H]2C1 ZINC001084276663 810459491 /nfs/dbraw/zinc/45/94/91/810459491.db2.gz LEFPZWQQMQWUKN-HUUCEWRRSA-N 0 3 260.381 2.206 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C(C)(C)C(=C)Cl)[C@@H]2C1 ZINC001084372109 810465035 /nfs/dbraw/zinc/46/50/35/810465035.db2.gz GPGSADLRGAPOAW-ZIAGYGMSSA-N 0 3 294.826 2.321 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2occc2Cl)CC1 ZINC001016811055 810471932 /nfs/dbraw/zinc/47/19/32/810471932.db2.gz QEBUFUPTEVQKAW-LBPRGKRZSA-N 0 3 292.766 2.151 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1ccn(C2CCCC2)n1 ZINC001121971088 815372541 /nfs/dbraw/zinc/37/25/41/815372541.db2.gz KNDQWZZIHZQFQG-HNNXBMFYSA-N 0 3 290.411 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/nfs/dbraw/zinc/38/67/54/815386754.db2.gz BPNFQIPPGGSFMV-VXGBXAGGSA-N 0 3 279.409 2.143 20 30 CEEDHN N#CC(C(=O)CCC1CC1)C(=O)NCc1ccccc1 ZINC000115903292 810666591 /nfs/dbraw/zinc/66/65/91/810666591.db2.gz ZFGIOXAFQFCCLR-AWEZNQCLSA-N 0 3 270.332 2.202 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)CCc2ccc(C)cc2C)C1 ZINC001019208079 810685745 /nfs/dbraw/zinc/68/57/45/810685745.db2.gz BOVKEIZBMLXHMV-KRWDZBQOSA-N 0 3 284.403 2.060 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1c(C)nn(CC)c1C ZINC001122178452 815390149 /nfs/dbraw/zinc/39/01/49/815390149.db2.gz ICVBVBBFJQMPJY-OAHLLOKOSA-N 0 3 292.427 2.162 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)C1 ZINC001019437977 810710990 /nfs/dbraw/zinc/71/09/90/810710990.db2.gz BYLMECULKOSQMX-DLBZAZTESA-N 0 3 284.403 2.250 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2coc(C)c2)C1 ZINC001020104322 810767636 /nfs/dbraw/zinc/76/76/36/810767636.db2.gz OFVKSMQGPJXDAT-HAQNSBGRSA-N 0 3 268.744 2.191 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 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C=CCCN1CC[C@H]1CN(C)C(=O)c1c[nH]nc1C(C)C ZINC001085690388 810877441 /nfs/dbraw/zinc/87/74/41/810877441.db2.gz FHVYUKDLUAUIGN-ZDUSSCGKSA-N 0 3 290.411 2.256 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccn2cncc2c1 ZINC001085699882 810881137 /nfs/dbraw/zinc/88/11/37/810881137.db2.gz YBZADPYWPJRSKT-OAHLLOKOSA-N 0 3 298.390 2.057 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccn(C)c1C ZINC001038673566 810884843 /nfs/dbraw/zinc/88/48/43/810884843.db2.gz JIXNTNYMTSRIKF-AWEZNQCLSA-N 0 3 275.396 2.104 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(Cl)cn1C ZINC001085711945 810885890 /nfs/dbraw/zinc/88/58/90/810885890.db2.gz WMDZOMKVTBUOEE-CYBMUJFWSA-N 0 3 295.814 2.401 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001038723001 810899473 /nfs/dbraw/zinc/89/94/73/810899473.db2.gz VFXDQAQQWRGSOB-HZSPNIEDSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCC[C@H]1CCCN1C(=O)[C@H](N)CCSC ZINC001122374163 815406008 /nfs/dbraw/zinc/40/60/08/815406008.db2.gz JDMHVUNMMTYXRP-NWDGAFQWSA-N 0 3 256.415 2.024 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1nccc2[nH]ccc21 ZINC001085822428 810931668 /nfs/dbraw/zinc/93/16/68/810931668.db2.gz HNECMMRHIBQWDU-CYBMUJFWSA-N 0 3 298.390 2.285 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)n[nH]1 ZINC001085833109 810936768 /nfs/dbraw/zinc/93/67/68/810936768.db2.gz ATJGPWVUQRBRNG-ZDUSSCGKSA-N 0 3 290.411 2.256 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001038906841 810943348 /nfs/dbraw/zinc/94/33/48/810943348.db2.gz SLNCBAYTTVZKEK-CQSZACIVSA-N 0 3 287.407 2.274 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnn(CCC)c1 ZINC001085850306 810943604 /nfs/dbraw/zinc/94/36/04/810943604.db2.gz SZWGAFVWRWNQIQ-HNNXBMFYSA-N 0 3 290.411 2.016 20 30 CEEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC2)C1 ZINC001039178477 810996090 /nfs/dbraw/zinc/99/60/90/810996090.db2.gz QUWJVVOJWLNNCM-CVEARBPZSA-N 0 3 274.408 2.123 20 30 CEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccoc1 ZINC001039358672 811017981 /nfs/dbraw/zinc/01/79/81/811017981.db2.gz OJMVFHZOFVWUNT-CABCVRRESA-N 0 3 274.364 2.073 20 30 CEEDHN C=CCC[C@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC001122466123 815415185 /nfs/dbraw/zinc/41/51/85/815415185.db2.gz KGXBOYYNHCBZBC-UONOGXRCSA-N 0 3 263.385 2.355 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C(C)C ZINC001039429912 811028273 /nfs/dbraw/zinc/02/82/73/811028273.db2.gz HRRYFRJXJLFRFB-PMPSAXMXSA-N 0 3 294.439 2.299 20 30 CEEDHN C=CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1conc1C ZINC001039428370 811029181 /nfs/dbraw/zinc/02/91/81/811029181.db2.gz JLIJPAZDSBQWQQ-KGLIPLIRSA-N 0 3 289.379 2.238 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)c3ccoc3C)C2)C1 ZINC001040064775 811081396 /nfs/dbraw/zinc/08/13/96/811081396.db2.gz QKHAPUWXWMNCIL-KRWDZBQOSA-N 0 3 286.375 2.149 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H](C)SC)C2)C1 ZINC001040075723 811084185 /nfs/dbraw/zinc/08/41/85/811084185.db2.gz ZFDDHLGNXFOHRM-ZBFHGGJFSA-N 0 3 294.464 2.076 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001122511352 815420466 /nfs/dbraw/zinc/42/04/66/815420466.db2.gz 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ZINC001041646413 811181619 /nfs/dbraw/zinc/18/16/19/811181619.db2.gz QKMKYBGEVMNPJI-OAHLLOKOSA-N 0 3 292.766 2.104 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3c[nH]cc3C3CC3)C2)C1 ZINC001041766129 811193266 /nfs/dbraw/zinc/19/32/66/811193266.db2.gz ZVZDXPNXYMXKAD-SFHVURJKSA-N 0 3 297.402 2.063 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3ccoc3)C[C@H]21 ZINC001041938587 811218361 /nfs/dbraw/zinc/21/83/61/811218361.db2.gz LFUOEFJLFMVUIC-UKRRQHHQSA-N 0 3 274.364 2.392 20 30 CEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3ocnc3C)C[C@@H]21 ZINC001042001080 811229486 /nfs/dbraw/zinc/22/94/86/811229486.db2.gz SIXJCGACZFCVSG-KBPBESRZSA-N 0 3 289.379 2.096 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(CC)ccn3)C[C@@H]21 ZINC001042072516 811241837 /nfs/dbraw/zinc/24/18/37/811241837.db2.gz KXPYOJYYPZEKHZ-RDJZCZTQSA-N 0 3 299.418 2.366 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccncc3CC)C[C@@H]21 ZINC001042123766 811247508 /nfs/dbraw/zinc/24/75/08/811247508.db2.gz UZZOBOBQMPUESM-RDJZCZTQSA-N 0 3 299.418 2.366 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)c(C)n3)C[C@@H]21 ZINC001042155629 811249398 /nfs/dbraw/zinc/24/93/98/811249398.db2.gz CYTSRGULEZTFMJ-WBVHZDCISA-N 0 3 299.418 2.421 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccnc(C)c3)C[C@@H]21 ZINC001042277111 811264286 /nfs/dbraw/zinc/26/42/86/811264286.db2.gz MHBXHEIBVMRWBB-HOCLYGCPSA-N 0 3 285.391 2.112 20 30 CEEDHN CC(F)(F)C1(C(=O)C(C#N)c2ccncn2)CC1 ZINC001122655372 815434338 /nfs/dbraw/zinc/43/43/38/815434338.db2.gz KFQWWZYWWUCSRO-MRVPVSSYSA-N 0 3 251.236 2.088 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3c[nH]cc3C)C[C@H]21 ZINC001042354955 811272519 /nfs/dbraw/zinc/27/25/19/811272519.db2.gz UNJGXFYNMINMMO-DZGCQCFKSA-N 0 3 273.380 2.046 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)Cc2cccs2)cc1 ZINC001122661389 815435275 /nfs/dbraw/zinc/43/52/75/815435275.db2.gz HFWFXTWGYILNOW-UHFFFAOYSA-N 0 3 299.399 2.068 20 30 CEEDHN Cc1ccc(C(=O)NCCNCc2cccc(C#N)c2)s1 ZINC001122716100 815439120 /nfs/dbraw/zinc/43/91/20/815439120.db2.gz VUWWVLPCODOAHB-UHFFFAOYSA-N 0 3 299.399 2.448 20 30 CEEDHN [NH3+]Cc1cccc2c1cnn2-c1cccc(/C=N/[O-])c1 ZINC001169193516 811425945 /nfs/dbraw/zinc/42/59/45/811425945.db2.gz ZCRUWCIHLRYWFF-GIJQJNRQSA-N 0 3 266.304 2.292 20 30 CEEDHN C[C@@H](CCCC#N)NCc1cn(Cc2ccccn2)cn1 ZINC001172492914 815453460 /nfs/dbraw/zinc/45/34/60/815453460.db2.gz PXBAHEIPFDMLTB-AWEZNQCLSA-N 0 3 283.379 2.498 20 30 CEEDHN CCN(CC)C(=O)C[C@H](C)NC(=N)c1ccc(Cl)cn1 ZINC001169436042 811522283 /nfs/dbraw/zinc/52/22/83/811522283.db2.gz UXJZSICWGKDWFS-JTQLQIEISA-N 0 3 296.802 2.087 20 30 CEEDHN CCCCCCCC[C@@H](CC)NS(=O)(=O)CCN ZINC001172500879 815455915 /nfs/dbraw/zinc/45/59/15/815455915.db2.gz BXXQZWCFYRYBOB-CYBMUJFWSA-N 0 3 278.462 2.394 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCC[C@H]1CNCc1cncs1 ZINC001045152122 811578643 /nfs/dbraw/zinc/57/86/43/811578643.db2.gz ZYNDUZVFWDVVPL-LBPRGKRZSA-N 0 3 293.436 2.436 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2ccc(C)nc2)CC1 ZINC001045361316 811600252 /nfs/dbraw/zinc/60/02/52/811600252.db2.gz AHPFGYYIEOFLHC-UHFFFAOYSA-N 0 3 273.380 2.160 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)C2CC(C)C2)CC1 ZINC001045403913 811607081 /nfs/dbraw/zinc/60/70/81/811607081.db2.gz XALDEXWOKWIHFF-UHFFFAOYSA-N 0 3 262.397 2.027 20 30 CEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1ccc[nH]1)C2 ZINC001045913092 811662532 /nfs/dbraw/zinc/66/25/32/811662532.db2.gz AKRPVLKNMADPNQ-GOSISDBHSA-N 0 3 299.418 2.356 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ncccc2C)C1 ZINC001046213376 811710998 /nfs/dbraw/zinc/71/09/98/811710998.db2.gz HPXARXXGEKSFHQ-INIZCTEOSA-N 0 3 273.380 2.160 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccnn2C(F)F)C1 ZINC001046345748 811740441 /nfs/dbraw/zinc/74/04/41/811740441.db2.gz XYFYZTBNTGJUBV-AWEZNQCLSA-N 0 3 298.337 2.049 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001046417257 811753615 /nfs/dbraw/zinc/75/36/15/811753615.db2.gz JMIBEXPQKRJDFQ-DZGCQCFKSA-N 0 3 262.397 2.333 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001046419883 811753633 /nfs/dbraw/zinc/75/36/33/811753633.db2.gz BTLPUJLTUSMYBV-HOCLYGCPSA-N 0 3 274.408 2.171 20 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CEEDHN C=CCN1C[C@H](NC(=O)Cc2ccccc2)CC[C@@H]1C ZINC001071615788 813449964 /nfs/dbraw/zinc/44/99/64/813449964.db2.gz GTTWKTZQPAKKCC-GOEBONIOSA-N 0 3 272.392 2.384 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)Cc2cncc(C)c2)CC[C@@H]1C ZINC001071712969 813468785 /nfs/dbraw/zinc/46/87/85/813468785.db2.gz WPYQLJZSHFNBBW-HOCLYGCPSA-N 0 3 287.407 2.088 20 30 CEEDHN C=CCCN1C[C@H](NC(=O)c2conc2CC)CC[C@@H]1C ZINC001071806349 813486528 /nfs/dbraw/zinc/48/65/28/813486528.db2.gz AONSTQPQHAUFAU-QWHCGFSZSA-N 0 3 291.395 2.396 20 30 CEEDHN CC#CCNCCNC(=O)c1cccc(C(C)(C)C)c1 ZINC001135623984 813488784 /nfs/dbraw/zinc/48/87/84/813488784.db2.gz RLMPWCWJSGBOIB-UHFFFAOYSA-N 0 3 272.392 2.327 20 30 CEEDHN C=CCN1C[C@H](NC(=O)c2c[nH]c3cccnc32)CC[C@H]1C ZINC001071996635 813525686 /nfs/dbraw/zinc/52/56/86/813525686.db2.gz SUWORNIQGPMSAY-CHWSQXEVSA-N 0 3 298.390 2.332 20 30 CEEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CC[C@H](C)N(CC=C)C1 ZINC001072023928 813533283 /nfs/dbraw/zinc/53/32/83/813533283.db2.gz YPJKLSZRJIWRFD-MAUKXSAKSA-N 0 3 296.414 2.366 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CCC[C@@H]3C(F)F)C2)C1 ZINC001072811814 813663689 /nfs/dbraw/zinc/66/36/89/813663689.db2.gz HRBDODRVWBUHKF-STQMWFEESA-N 0 3 298.377 2.388 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)c3ccc(C)o3)C2)C1 ZINC001073042497 813717567 /nfs/dbraw/zinc/71/75/67/813717567.db2.gz AZMUHKKEQVAAFC-AWEZNQCLSA-N 0 3 288.391 2.412 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1coc(CCC)n1 ZINC001171071965 813804895 /nfs/dbraw/zinc/80/48/95/813804895.db2.gz OXLBZQOXALUTIN-UHFFFAOYSA-N 0 3 285.775 2.089 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1ccon1 ZINC001098988782 813971739 /nfs/dbraw/zinc/97/17/39/813971739.db2.gz QKISPCKBGJGYRU-CQSZACIVSA-N 0 3 291.395 2.010 20 30 CEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](O)C(C)C ZINC001099061411 813984101 /nfs/dbraw/zinc/98/41/01/813984101.db2.gz VJOMCUXDANWAIE-LSDHHAIUSA-N 0 3 296.455 2.186 20 30 CEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](O)C(C)C ZINC001099061410 813984536 /nfs/dbraw/zinc/98/45/36/813984536.db2.gz VJOMCUXDANWAIE-HUUCEWRRSA-N 0 3 296.455 2.186 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)/C(C)=C\C)C[C@H]1C(F)(F)F ZINC001099232900 813997488 /nfs/dbraw/zinc/99/74/88/813997488.db2.gz RRBQHFUEIFZUNM-XFDQCWFDSA-N 0 3 276.302 2.118 20 30 CEEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)CN1CCO ZINC001099251683 813997626 /nfs/dbraw/zinc/99/76/26/813997626.db2.gz NNFGLBJXTMFQMB-AWEZNQCLSA-N 0 3 296.455 2.188 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C[C@@H](C)C(C)C)C1 ZINC001149374666 814050761 /nfs/dbraw/zinc/05/07/61/814050761.db2.gz GKCUQHZEJNBZEF-HZPDHXFCSA-N 0 3 296.455 2.452 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)CC(C)C)[C@H](O)C1 ZINC001100068766 814059565 /nfs/dbraw/zinc/05/95/65/814059565.db2.gz ATTHLHCHQPTZJG-LSDHHAIUSA-N 0 3 296.455 2.186 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cnccn1 ZINC001171179906 814060346 /nfs/dbraw/zinc/06/03/46/814060346.db2.gz YRJWXIDLRGWBMM-LBPRGKRZSA-N 0 3 252.321 2.069 20 30 CEEDHN C=C(C)CCC(=O)NCC1CC(NCc2ccns2)C1 ZINC001100374261 814105557 /nfs/dbraw/zinc/10/55/57/814105557.db2.gz ZPQCSEXIHQHFRB-UHFFFAOYSA-N 0 3 293.436 2.484 20 30 CEEDHN N=C(Nc1ccnc(C2CC2)c1)c1ccc(C(N)=O)cc1 ZINC001171258508 814237981 /nfs/dbraw/zinc/23/79/81/814237981.db2.gz BBEANRLKNMNZEJ-UHFFFAOYSA-N 0 3 280.331 2.095 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)CCC(C)(C)C)C[C@]2(C)C1 ZINC001101396685 814255186 /nfs/dbraw/zinc/25/51/86/814255186.db2.gz FTGFMZASTFDWDG-PBHICJAKSA-N 0 3 276.424 2.226 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)CCC(C)C)C2)C1 ZINC001146980725 814355240 /nfs/dbraw/zinc/35/52/40/814355240.db2.gz GTYVZZXELYRHQR-UHFFFAOYSA-N 0 3 250.386 2.143 20 30 CEEDHN C=CCCC(=O)N1CC2(C1)CCN(Cc1cccnc1C)C2 ZINC001147166503 814394759 /nfs/dbraw/zinc/39/47/59/814394759.db2.gz XNOFTIDODUAVNN-UHFFFAOYSA-N 0 3 299.418 2.391 20 30 CEEDHN C=CCCCC(=O)NCC[C@@H]1CN(CCF)C[C@H]1C ZINC001103382742 814495561 /nfs/dbraw/zinc/49/55/61/814495561.db2.gz RMAUZWUGMOHBPF-ZIAGYGMSSA-N 0 3 270.392 2.386 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)c(O)c(C)c1 ZINC001148561694 814584078 /nfs/dbraw/zinc/58/40/78/814584078.db2.gz HUNMSSRXXNLUBB-HNNXBMFYSA-N 0 3 288.391 2.389 20 30 CEEDHN N#Cc1sccc1NC(=O)c1ccc(NC(=N)N)cc1 ZINC001148642185 814593619 /nfs/dbraw/zinc/59/36/19/814593619.db2.gz BKLQARGNEWLABV-UHFFFAOYSA-N 0 3 285.332 2.177 20 30 CEEDHN CC#CCNCCNC(=O)C[C@H]1CCCc2ccccc21 ZINC001148668953 814604875 /nfs/dbraw/zinc/60/48/75/814604875.db2.gz PTFGZZSIFTYBRL-MRXNPFEDSA-N 0 3 284.403 2.226 20 30 CEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](F)CC)C2)CC1 ZINC001086936040 814652726 /nfs/dbraw/zinc/65/27/26/814652726.db2.gz GXOIFPDYSIAFPZ-HUUCEWRRSA-N 0 3 294.414 2.461 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C3(C)CC=CC3)C[C@]2(C)C1 ZINC001091977873 814686390 /nfs/dbraw/zinc/68/63/90/814686390.db2.gz YEYMWXROVNIYGY-QAPCUYQASA-N 0 3 286.419 2.146 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(CC)cc3)C[C@]2(C)C1 ZINC001092244934 814697787 /nfs/dbraw/zinc/69/77/87/814697787.db2.gz RAIKGMVYSYTXEQ-MJGOQNOKSA-N 0 3 296.414 2.276 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2c[nH]c3ccccc23)[C@H](C)C1 ZINC001092790034 814728068 /nfs/dbraw/zinc/72/80/68/814728068.db2.gz COXGRKUWNYSRNU-ZIAGYGMSSA-N 0 3 295.386 2.099 20 30 CEEDHN C=CCOC1CCC(N2CCC[C@H]2C(=O)OC)CC1 ZINC001173315217 815688991 /nfs/dbraw/zinc/68/89/91/815688991.db2.gz JTRPCRICWTUXAA-RUXDESIVSA-N 0 3 267.369 2.138 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1O)C2 ZINC001095184481 815743327 /nfs/dbraw/zinc/74/33/27/815743327.db2.gz FAQIHTUOUPCXPI-SNPRPXQTSA-N 0 3 286.375 2.303 20 30 CEEDHN CC1(C#N)CCC(NCc2ccn(CCF)n2)CC1 ZINC001173591722 815755218 /nfs/dbraw/zinc/75/52/18/815755218.db2.gz QOIRDIYAQPJCAP-UHFFFAOYSA-N 0 3 264.348 2.415 20 30 CEEDHN C#CCOc1ccc(CN2CCCC[C@H]2CO)cc1OC ZINC001138342117 815772042 /nfs/dbraw/zinc/77/20/42/815772042.db2.gz ZDWKYUBMMHFYTR-HNNXBMFYSA-N 0 3 289.375 2.054 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@@]3(CCC(=O)O3)C2)cc1 ZINC001138560260 815830582 /nfs/dbraw/zinc/83/05/82/815830582.db2.gz OVDSLRZPRTVDEN-GOSISDBHSA-N 0 3 299.370 2.370 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H](CO)C2)c1[O-] ZINC001138623834 815846298 /nfs/dbraw/zinc/84/62/98/815846298.db2.gz JAICEMXMBYYIRD-CYBMUJFWSA-N 0 3 261.365 2.325 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H](CO)C2)c1[O-] ZINC001138623834 815846308 /nfs/dbraw/zinc/84/63/08/815846308.db2.gz JAICEMXMBYYIRD-CYBMUJFWSA-N 0 3 261.365 2.325 20 30 CEEDHN C=CCc1cccc(C[N@@H+](C)[C@H]2CCN(C)C2)c1[O-] ZINC001138627585 815848318 /nfs/dbraw/zinc/84/83/18/815848318.db2.gz AYVUGTGTYIXSQQ-HNNXBMFYSA-N 0 3 260.381 2.257 20 30 CEEDHN C=CCc1cccc(C[N@H+](C)[C@H]2CCN(C)C2)c1[O-] ZINC001138627585 815848325 /nfs/dbraw/zinc/84/83/25/815848325.db2.gz AYVUGTGTYIXSQQ-HNNXBMFYSA-N 0 3 260.381 2.257 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C#CC(C)C)C12CCC2 ZINC001202867558 815906745 /nfs/dbraw/zinc/90/67/45/815906745.db2.gz RTJQFQCLPAZVNZ-UONOGXRCSA-N 0 3 294.826 2.415 20 30 CEEDHN C=CCn1cc(CN2CCC[C@]3(CCOC3)C2)cn1 ZINC001139768922 816110797 /nfs/dbraw/zinc/11/07/97/816110797.db2.gz WNVLHUVHITXISJ-HNNXBMFYSA-N 0 3 261.369 2.072 20 30 CEEDHN Cc1ccc(CN2CCC3SC(=O)C=C3C2)cn1 ZINC001139930886 816143063 /nfs/dbraw/zinc/14/30/63/816143063.db2.gz HQLQCTCDRDLLED-CYBMUJFWSA-N 0 3 260.362 2.164 20 30 CEEDHN COC(=O)[C@H]1CCN(Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140110339 816192016 /nfs/dbraw/zinc/19/20/16/816192016.db2.gz JMPOPHVWOLOVFI-LBPRGKRZSA-N 0 3 283.331 2.034 20 30 CEEDHN C[C@@]1(O)CCCCN(Cc2ccc(C#N)cc2F)C1 ZINC001140135970 816198150 /nfs/dbraw/zinc/19/81/50/816198150.db2.gz ATJZYKHCRDMCMN-OAHLLOKOSA-N 0 3 262.328 2.434 20 30 CEEDHN CCN1C[C@@H]2C[C@H]1CN2Cc1cccc(C#N)c1Cl ZINC001140815016 816372952 /nfs/dbraw/zinc/37/29/52/816372952.db2.gz YJAGGMUFZIKGOJ-KBPBESRZSA-N 0 3 275.783 2.490 20 30 CEEDHN SC1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC001141039871 816455376 /nfs/dbraw/zinc/45/53/76/816455376.db2.gz HPJSNKLQTYAWED-UHFFFAOYSA-N 0 3 265.378 2.352 20 30 CEEDHN C#C[C@H](C)NC[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000123472327 816621958 /nfs/dbraw/zinc/62/19/58/816621958.db2.gz BQAHVBRBBOEYPR-GXSJLCMTSA-N 0 3 288.174 2.344 20 30 CEEDHN COc1ccnc(NC(=O)C(C#N)Cc2cccs2)c1 ZINC001177904276 816641157 /nfs/dbraw/zinc/64/11/57/816641157.db2.gz OAAKHDYCVLIZHH-SNVBAGLBSA-N 0 3 287.344 2.473 20 30 CEEDHN N#C[C@@H]1CCCN(Cc2cccc3nonc32)CC1 ZINC001203137920 816833279 /nfs/dbraw/zinc/83/32/79/816833279.db2.gz POIZHMBUAALWRC-LLVKDONJSA-N 0 3 256.309 2.348 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)/C=C(\C)C2CC2)C1 ZINC001149282481 816846187 /nfs/dbraw/zinc/84/61/87/816846187.db2.gz XVSFMALNRNCNLS-IDJPSDCMSA-N 0 3 292.423 2.126 20 30 CEEDHN C#CCNCCNC(=O)c1coc2ccc(Cl)cc21 ZINC001149412936 816861478 /nfs/dbraw/zinc/86/14/78/816861478.db2.gz ONRCVZHGNNPCEF-UHFFFAOYSA-N 0 3 276.723 2.039 20 30 CEEDHN C[C@H](NCC[C@H](O)C(F)F)c1ccc(C#N)cc1F ZINC000601299582 346815124 /nfs/dbraw/zinc/81/51/24/346815124.db2.gz RTYHRNSPUCLBHE-UFBFGSQYSA-N 0 3 272.270 2.364 20 30 CEEDHN N#CC(C(=O)c1cccnc1)c1nc2ccccc2[nH]1 ZINC000122662809 365630812 /nfs/dbraw/zinc/63/08/12/365630812.db2.gz UWDWAVHDVJGYOU-NSHDSACASA-N 0 3 262.272 2.448 20 30 CEEDHN CO[C@H](CNCc1ccc(C#N)cc1F)C(C)C ZINC000269427529 190493113 /nfs/dbraw/zinc/49/31/13/190493113.db2.gz OAURPEFMFRZFSW-CQSZACIVSA-N 0 3 250.317 2.458 20 30 CEEDHN CCn1ccnc1[C@@H]1CCCCN1C(=O)C(C)C#N ZINC000336550674 365633198 /nfs/dbraw/zinc/63/31/98/365633198.db2.gz KACXXYQZRFVJJW-RYUDHWBXSA-N 0 3 260.341 2.116 20 30 CEEDHN C#CCN(C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)C1CCCC1 ZINC000124298044 365648236 /nfs/dbraw/zinc/64/82/36/365648236.db2.gz PVIMIRIRKYSJIF-KGLIPLIRSA-N 0 3 289.423 2.199 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000125195903 187173890 /nfs/dbraw/zinc/17/38/90/187173890.db2.gz GYHVDRCFWBORFX-HIFRSBDPSA-N 0 3 285.391 2.421 20 30 CEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccccc1CC#N ZINC000601574540 346852460 /nfs/dbraw/zinc/85/24/60/346852460.db2.gz LFIVAWXXTRLYTC-GOEBONIOSA-N 0 3 297.402 2.451 20 30 CEEDHN CN1CCC[C@@]2(CCN(C(=O)c3ccccc3CC#N)C2)C1 ZINC000601609255 346860404 /nfs/dbraw/zinc/86/04/04/346860404.db2.gz VICDMFAZZQEHRU-GOSISDBHSA-N 0 3 297.402 2.311 20 30 CEEDHN CN(CC(=O)Nc1cccc(C#N)c1)C1CCCC1 ZINC000037022506 361887457 /nfs/dbraw/zinc/88/74/57/361887457.db2.gz XGBBSKCNDOTRSS-UHFFFAOYSA-N 0 3 257.337 2.371 20 30 CEEDHN C=CCNC(=O)c1ccc(NC(=O)[C@H](N)CCCC)cc1 ZINC000037769508 361934451 /nfs/dbraw/zinc/93/44/51/361934451.db2.gz QQFGGSJQRXNMHG-CQSZACIVSA-N 0 3 289.379 2.058 20 30 CEEDHN CN1CCC(n2cc(NC(=O)CC(C)(C)C#N)cn2)CC1 ZINC000601782666 346897146 /nfs/dbraw/zinc/89/71/46/346897146.db2.gz ZEHPGJBWQARGCF-UHFFFAOYSA-N 0 3 289.383 2.028 20 30 CEEDHN CCc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc(=O)[nH]1 ZINC000329231503 529503657 /nfs/dbraw/zinc/50/36/57/529503657.db2.gz FGCRPPDPLNTIPO-IINYFYTJSA-N 0 3 289.379 2.137 20 30 CEEDHN C=CCC[C@@H](CO)N[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000621763218 349695032 /nfs/dbraw/zinc/69/50/32/349695032.db2.gz UBEUNBHBCRITMV-HOCLYGCPSA-N 0 3 288.391 2.401 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000675156414 539229369 /nfs/dbraw/zinc/22/93/69/539229369.db2.gz HULJFDXBGKPCCU-HNNXBMFYSA-N 0 3 262.397 2.355 20 30 CEEDHN CC(C)C[C@H](CNC(=O)c1ccc(C#N)cc1)N(C)C ZINC000042584441 362105049 /nfs/dbraw/zinc/10/50/49/362105049.db2.gz YVZHPKKIAYMTFL-OAHLLOKOSA-N 0 3 273.380 2.264 20 30 CEEDHN C=CC[C@H](CO)NCc1ccccc1OC(F)F ZINC000320321309 539309341 /nfs/dbraw/zinc/30/93/41/539309341.db2.gz XHAKOLRWTVVZDK-LLVKDONJSA-N 0 3 257.280 2.315 20 30 CEEDHN C[C@H]1CN(c2nccnc2C#N)CCN1CCC(C)(C)C ZINC000155515035 136395566 /nfs/dbraw/zinc/39/55/66/136395566.db2.gz WMCXAWDHQCUGIQ-ZDUSSCGKSA-N 0 3 287.411 2.295 20 30 CEEDHN N#Cc1cc2c(nc1N[C@@H]1CCN(C3CC3)C1)CCCC2 ZINC000044679016 343476619 /nfs/dbraw/zinc/47/66/19/343476619.db2.gz NIIKSFQSBPXDOW-CQSZACIVSA-N 0 3 282.391 2.481 20 30 CEEDHN C#Cc1cccc(NC(=O)NC2CCN(CC)CC2)c1 ZINC000043985627 343468006 /nfs/dbraw/zinc/46/80/06/343468006.db2.gz QVIRAYPEEGFWCI-UHFFFAOYSA-N 0 3 271.364 2.274 20 30 CEEDHN COC(=O)C[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000048400653 343530141 /nfs/dbraw/zinc/53/01/41/343530141.db2.gz SZEOCDHFYFKSAY-OAHLLOKOSA-N 0 3 272.348 2.476 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(OCC)cc2)CC1 ZINC000050024134 343541232 /nfs/dbraw/zinc/54/12/32/343541232.db2.gz CQSGYBHZIIQIGP-UHFFFAOYSA-N 0 3 286.375 2.369 20 30 CEEDHN Cc1cccc(NC(=O)C2CCN(CCCC#N)CC2)n1 ZINC000053163469 343571784 /nfs/dbraw/zinc/57/17/84/343571784.db2.gz AUJVJVHCUTYVIV-UHFFFAOYSA-N 0 3 286.379 2.344 20 30 CEEDHN N#Cc1ccccc1OC[C@@H](O)CNCc1ccsc1 ZINC000063152697 343674808 /nfs/dbraw/zinc/67/48/08/343674808.db2.gz UKHTZEUOJQSSTO-AWEZNQCLSA-N 0 3 288.372 2.149 20 30 CEEDHN N#Cc1c(F)cccc1CNC[C@@H]1CCC[C@H](O)C1 ZINC000602010188 346957772 /nfs/dbraw/zinc/95/77/72/346957772.db2.gz FHHSJBJCYOESPE-YPMHNXCESA-N 0 3 262.328 2.338 20 30 CEEDHN CN(CCCN(C)CC1(C#N)CC1)Cc1ccco1 ZINC000353541504 529885451 /nfs/dbraw/zinc/88/54/51/529885451.db2.gz INKGSHDEFDQQNN-UHFFFAOYSA-N 0 3 261.369 2.337 20 30 CEEDHN N#Cc1ccc(N2CCCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000076199709 343885224 /nfs/dbraw/zinc/88/52/24/343885224.db2.gz KKAFAZGHHYSGNZ-KRWDZBQOSA-N 0 3 285.391 2.249 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)c1cc(C)c(OC)cc1C ZINC000273182250 192067869 /nfs/dbraw/zinc/06/78/69/192067869.db2.gz FITVKMQWRSVKMK-CYBMUJFWSA-N 0 3 276.380 2.265 20 30 CEEDHN C#CCOc1ccccc1CNC[C@H](C)C[C@@H](C)O ZINC000077427740 343920335 /nfs/dbraw/zinc/92/03/35/343920335.db2.gz IWSYRTBWLKOOOA-ZIAGYGMSSA-N 0 3 261.365 2.195 20 30 CEEDHN CN(CCOc1cccc(C#N)c1)C[C@H]1CCCO1 ZINC000048336383 362257411 /nfs/dbraw/zinc/25/74/11/362257411.db2.gz LRHFXCZJUOSVTO-OAHLLOKOSA-N 0 3 260.337 2.048 20 30 CEEDHN N#CCCCN1CCC(C(=O)Nc2nccs2)CC1 ZINC000078824787 343964906 /nfs/dbraw/zinc/96/49/06/343964906.db2.gz RTBXBJVZUQUQRI-UHFFFAOYSA-N 0 3 278.381 2.097 20 30 CEEDHN Cc1nnc(N2CC[C@H](N3CCCCC3)C2)c(C#N)c1C ZINC000110259019 282322813 /nfs/dbraw/zinc/32/28/13/282322813.db2.gz YJCNRGZXOVVXQA-AWEZNQCLSA-N 0 3 285.395 2.030 20 30 CEEDHN CN(C)CCn1cc(NCc2ccc(C#N)cc2F)cn1 ZINC000090184598 344138310 /nfs/dbraw/zinc/13/83/10/344138310.db2.gz QLHHAGCHAOHGEA-UHFFFAOYSA-N 0 3 287.342 2.068 20 30 CEEDHN CC#CCN[C@@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000090919551 344146750 /nfs/dbraw/zinc/14/67/50/344146750.db2.gz WSPKLINCZWHNLX-ZDUSSCGKSA-N 0 3 277.364 2.394 20 30 CEEDHN C=C[C@@H](C)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093136386 344214599 /nfs/dbraw/zinc/21/45/99/344214599.db2.gz HJYSKJMRPITOSZ-CYBMUJFWSA-N 0 3 288.395 2.172 20 30 CEEDHN CCCNC(=O)CN(CCC)C[C@H](C)CCC#N ZINC000602447991 347036270 /nfs/dbraw/zinc/03/62/70/347036270.db2.gz JNSCHJUHSBCJEB-CYBMUJFWSA-N 0 3 253.390 2.164 20 30 CEEDHN C[C@@H](CCC#N)CN1CCN(Cc2cscn2)CC1 ZINC000602449126 347037554 /nfs/dbraw/zinc/03/75/54/347037554.db2.gz NGWHLCBSQOJNPN-ZDUSSCGKSA-N 0 3 278.425 2.201 20 30 CEEDHN C[C@H](CCC#N)CN1CCN(c2cccc(O)c2)CC1 ZINC000602436969 347032505 /nfs/dbraw/zinc/03/25/05/347032505.db2.gz POMVTHIARLUYAY-CQSZACIVSA-N 0 3 273.380 2.454 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1snc(Cl)c1C#N ZINC000092668173 344199132 /nfs/dbraw/zinc/19/91/32/344199132.db2.gz FLJPXAKIXGDFQI-WPRPVWTQSA-N 0 3 284.816 2.445 20 30 CEEDHN C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)C1CCC1 ZINC000228590490 344561579 /nfs/dbraw/zinc/56/15/79/344561579.db2.gz BBCWLLYYQUTMGF-LBPRGKRZSA-N 0 3 292.404 2.110 20 30 CEEDHN N#Cc1cccc(CNC[C@@H](c2ccco2)N2CCCC2)n1 ZINC000602506905 347061198 /nfs/dbraw/zinc/06/11/98/347061198.db2.gz XSYAUZUTDKPVGA-INIZCTEOSA-N 0 3 296.374 2.473 20 30 CEEDHN C[C@@H](CNC(=O)c1sccc1C#N)N1CCC(C)CC1 ZINC000052050507 362463362 /nfs/dbraw/zinc/46/33/62/362463362.db2.gz DCSCGTOQWDNPLU-LBPRGKRZSA-N 0 3 291.420 2.470 20 30 CEEDHN OC[C@H](NCC#Cc1ccc(F)cc1)C1CCCC1 ZINC000289411856 344681900 /nfs/dbraw/zinc/68/19/00/344681900.db2.gz BCWGBKWEPAXOKJ-INIZCTEOSA-N 0 3 261.340 2.318 20 30 CEEDHN N#CC1CCC(N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000602534211 347069449 /nfs/dbraw/zinc/06/94/49/347069449.db2.gz HLHRURIPFDVYNH-XUJLQICISA-N 0 3 283.375 2.464 20 30 CEEDHN CC[C@@H]1CN(C)CCCN1C(=O)Cc1ccc(C#N)cc1 ZINC000300527178 344700489 /nfs/dbraw/zinc/70/04/89/344700489.db2.gz AYVNOKCOLZVRCJ-MRXNPFEDSA-N 0 3 285.391 2.043 20 30 CEEDHN CC1(C)CCC[C@@H]1CCNC(=O)[C@@H](N)CCCC#N ZINC000602525905 347067107 /nfs/dbraw/zinc/06/71/07/347067107.db2.gz TXHQJEGNZCCXEI-OLZOCXBDSA-N 0 3 265.401 2.340 20 30 CEEDHN C[C@](CO)(NCc1cccc(C#N)n1)C1CCCCC1 ZINC000602552155 347074144 /nfs/dbraw/zinc/07/41/44/347074144.db2.gz GFDDJXNUEKILND-MRXNPFEDSA-N 0 3 273.380 2.374 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCC1(C(F)(F)F)CCCC1 ZINC000602574181 347084225 /nfs/dbraw/zinc/08/42/25/347084225.db2.gz XZUBMMSMPORTLB-JTQLQIEISA-N 0 3 291.317 2.246 20 30 CEEDHN C[C@@H]1CN(CC#N)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000404420667 344879801 /nfs/dbraw/zinc/87/98/01/344879801.db2.gz IMGNKHUSGHTTAY-RBSFLKMASA-N 0 3 257.381 2.493 20 30 CEEDHN C#C[C@H](NC(=O)C[C@H](c1ccccc1)N(C)C)C(C)C ZINC000491339819 344911176 /nfs/dbraw/zinc/91/11/76/344911176.db2.gz SRZNXMFXIKRNAJ-JKSUJKDBSA-N 0 3 272.392 2.453 20 30 CEEDHN CCN1CCCN(C(=O)CCCCCC#N)CC1 ZINC000588753053 345053651 /nfs/dbraw/zinc/05/36/51/345053651.db2.gz ZNTNUKZZKMQXTF-UHFFFAOYSA-N 0 3 251.374 2.015 20 30 CEEDHN COC(=O)[C@H](C)N(C[C@@H](C)CCC#N)C1CCC1 ZINC000589823006 345099971 /nfs/dbraw/zinc/09/99/71/345099971.db2.gz UREYDJWVAHRYEO-RYUDHWBXSA-N 0 3 252.358 2.342 20 30 CEEDHN CC1(C)[C@H](NCc2ccnc(C#N)c2)[C@@H]2CCCO[C@@H]21 ZINC000590756437 345175185 /nfs/dbraw/zinc/17/51/85/345175185.db2.gz KPZAJUIVKBWRFB-ZNMIVQPWSA-N 0 3 271.364 2.246 20 30 CEEDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000590536894 345144324 /nfs/dbraw/zinc/14/43/24/345144324.db2.gz DJCGXDBZVIPBGV-AWEZNQCLSA-N 0 3 289.354 2.254 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cn[nH]c1 ZINC000591357568 345243621 /nfs/dbraw/zinc/24/36/21/345243621.db2.gz ONMXOTJGBZZTBM-OAHLLOKOSA-N 0 3 252.321 2.449 20 30 CEEDHN CO[C@@](C)([C@@H](C)NCc1ccnc(C#N)c1)C1CC1 ZINC000591048559 345214587 /nfs/dbraw/zinc/21/45/87/345214587.db2.gz JSVUFQQVTMWOFT-ABAIWWIYSA-N 0 3 259.353 2.246 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CC[C@@H](C3CCC3)C2)c1 ZINC000591061875 345214884 /nfs/dbraw/zinc/21/48/84/345214884.db2.gz MBLYPQYWJOSNLQ-QGZVFWFLSA-N 0 3 297.402 2.296 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C2CCC2)C1 ZINC000591063325 345215966 /nfs/dbraw/zinc/21/59/66/345215966.db2.gz PSPMEVKPJNGMOD-GXTWGEPZSA-N 0 3 275.396 2.059 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCSC2(CCCCC2)C1 ZINC000591617635 345270019 /nfs/dbraw/zinc/27/00/19/345270019.db2.gz GLCOAIWPXMOSFV-CYBMUJFWSA-N 0 3 295.452 2.286 20 30 CEEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)CO1 ZINC000592367097 345346288 /nfs/dbraw/zinc/34/62/88/345346288.db2.gz NWPSLECMHJAAJX-SKDRFNHKSA-N 0 3 250.729 2.479 20 30 CEEDHN C[C@@H]1SCC[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000592733997 345389015 /nfs/dbraw/zinc/38/90/15/345389015.db2.gz DKEUHIFENYOIES-TUKIKUTGSA-N 0 3 299.399 2.251 20 30 CEEDHN CC(C)(CN1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592521697 345364778 /nfs/dbraw/zinc/36/47/78/345364778.db2.gz ASUJQDJAZYGPEH-INIZCTEOSA-N 0 3 258.365 2.315 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000592135409 345327857 /nfs/dbraw/zinc/32/78/57/345327857.db2.gz KHSZUCDCEFJYBG-RDBSUJKOSA-N 0 3 283.412 2.223 20 30 CEEDHN CC(C)(C)OC(=O)C1(C)CCN(CCOCCC#N)CC1 ZINC000592159362 345332698 /nfs/dbraw/zinc/33/26/98/345332698.db2.gz NWLGLNJYWFBXOR-UHFFFAOYSA-N 0 3 296.411 2.360 20 30 CEEDHN C[C@@H]1CN(CCCSCC#N)C2(CCC2)CO1 ZINC000593090616 345436788 /nfs/dbraw/zinc/43/67/88/345436788.db2.gz BCMXTFBOAVBBHM-GFCCVEGCSA-N 0 3 254.399 2.277 20 30 CEEDHN C[C@@H](CCO)N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000593107026 345440526 /nfs/dbraw/zinc/44/05/26/345440526.db2.gz DRHODZVEZSLTDT-JTQLQIEISA-N 0 3 284.306 2.362 20 30 CEEDHN C[C@@H](CCO)N(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000593109156 345441009 /nfs/dbraw/zinc/44/10/09/345441009.db2.gz VGBJFECJSATPNT-ZDUSSCGKSA-N 0 3 298.390 2.161 20 30 CEEDHN CCC(C#N)C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 ZINC000593452248 345489430 /nfs/dbraw/zinc/48/94/30/345489430.db2.gz YQJRJMNRYVFWDQ-LBPRGKRZSA-N 0 3 299.330 2.254 20 30 CEEDHN CC(C(=O)N(C)c1ccc(C#N)nc1)C(F)(F)F ZINC000593273801 345460476 /nfs/dbraw/zinc/46/04/76/345460476.db2.gz OVDFSNIODWJUPE-SSDOTTSWSA-N 0 3 257.215 2.114 20 30 CEEDHN C[C@H](NC(=O)NCC1(C#N)CCCC1)C1=CCN(C)CC1 ZINC000593388994 345475177 /nfs/dbraw/zinc/47/51/77/345475177.db2.gz PIQPWOIQLVJOII-ZDUSSCGKSA-N 0 3 290.411 2.020 20 30 CEEDHN CCC(C#N)C(=O)N([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000593743304 345530698 /nfs/dbraw/zinc/53/06/98/345530698.db2.gz GNIDGHAAIIONJP-MNOVXSKESA-N 0 3 280.368 2.257 20 30 CEEDHN C[C@H]1COCCN1C1CCN(CCC(C)(C)C#N)CC1 ZINC000593988186 345561229 /nfs/dbraw/zinc/56/12/29/345561229.db2.gz HZOIYOZOJDLRAX-AWEZNQCLSA-N 0 3 279.428 2.111 20 30 CEEDHN CSC1(CNC(=O)CCCCC#N)CCN(C)CC1 ZINC000594031141 345569617 /nfs/dbraw/zinc/56/96/17/345569617.db2.gz WEDCDCTZBOWFLF-UHFFFAOYSA-N 0 3 283.441 2.014 20 30 CEEDHN N#Cc1ccc(CC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000594194942 345596376 /nfs/dbraw/zinc/59/63/76/345596376.db2.gz BHRNPLDXRSYSLS-DLBZAZTESA-N 0 3 297.402 2.234 20 30 CEEDHN CCC[C@@H](C#N)NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000594259931 345606180 /nfs/dbraw/zinc/60/61/80/345606180.db2.gz OGTKDZIXEJMHCV-CVEARBPZSA-N 0 3 285.391 2.317 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000594271009 345607183 /nfs/dbraw/zinc/60/71/83/345607183.db2.gz JCDCRWRSPNEPOK-WMLDXEAASA-N 0 3 299.418 2.289 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCc1ccc(Cl)cc1 ZINC000594424578 345625964 /nfs/dbraw/zinc/62/59/64/345625964.db2.gz GFQLSULRTJVNJT-AWEZNQCLSA-N 0 3 293.798 2.410 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCCc2ccccc21 ZINC000594426606 345626730 /nfs/dbraw/zinc/62/67/30/345626730.db2.gz PVQLNERSGQTEIC-AWEZNQCLSA-N 0 3 271.364 2.377 20 30 CEEDHN COc1ccc(NC(=O)[C@H](N)CCCCC#N)c(C)c1 ZINC000594428280 345627216 /nfs/dbraw/zinc/62/72/16/345627216.db2.gz MERQCPAWCHMACK-CYBMUJFWSA-N 0 3 275.352 2.353 20 30 CEEDHN Cc1ccccc1CCNC(=O)[C@H](N)CCCCC#N ZINC000594428322 345627298 /nfs/dbraw/zinc/62/72/98/345627298.db2.gz XZFOIEZTBBFTCQ-OAHLLOKOSA-N 0 3 273.380 2.065 20 30 CEEDHN Cc1ccccc1CCNC(=O)[C@@H](N)CCCCC#N ZINC000594428321 345627335 /nfs/dbraw/zinc/62/73/35/345627335.db2.gz XZFOIEZTBBFTCQ-HNNXBMFYSA-N 0 3 273.380 2.065 20 30 CEEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)C1CCCCC1 ZINC000594429494 345627776 /nfs/dbraw/zinc/62/77/76/345627776.db2.gz QNSGFTMPTXYGBX-TZMCWYRMSA-N 0 3 265.401 2.483 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000594430931 345628295 /nfs/dbraw/zinc/62/82/95/345628295.db2.gz DGWAIQRABGEWPO-OAHLLOKOSA-N 0 3 297.362 2.222 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000594433746 345629183 /nfs/dbraw/zinc/62/91/83/345629183.db2.gz RXOILIADJCOCIJ-JYJNAYRXSA-N 0 3 285.391 2.145 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000594433102 345629198 /nfs/dbraw/zinc/62/91/98/345629198.db2.gz LRMOWGJMZYWLTK-ILXRZTDVSA-N 0 3 277.412 2.483 20 30 CEEDHN CCc1cnc(CN(C)C(=O)[C@H](N)CCCCC#N)s1 ZINC000594440045 345631294 /nfs/dbraw/zinc/63/12/94/345631294.db2.gz YQYSANGZFPEOKF-GFCCVEGCSA-N 0 3 294.424 2.075 20 30 CEEDHN CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H](N)CCCCC#N ZINC000594444109 345631781 /nfs/dbraw/zinc/63/17/81/345631781.db2.gz KRTIBQNYOJKURU-XQQFMLRXSA-N 0 3 251.374 2.045 20 30 CEEDHN CC[C@@H]1CCC[C@@H](NC(=O)[C@H](N)CCCCC#N)C1 ZINC000594443438 345631916 /nfs/dbraw/zinc/63/19/16/345631916.db2.gz HNOIGYLSEZQLCE-MGPQQGTHSA-N 0 3 265.401 2.483 20 30 CEEDHN C[C@@H]1CC[C@@]2(CCN(C(=O)[C@H](N)CCCCC#N)C2)C1 ZINC000594443566 345631925 /nfs/dbraw/zinc/63/19/25/345631925.db2.gz ROFUYAFEFLXYKL-IIAWOOMASA-N 0 3 277.412 2.436 20 30 CEEDHN CC(C)[C@@H]1CCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594445065 345632790 /nfs/dbraw/zinc/63/27/90/345632790.db2.gz OQPGHROEGFKHIF-KGLIPLIRSA-N 0 3 265.401 2.435 20 30 CEEDHN C[C@H]1CC2(CCC2)CN1C(=O)[C@@H](N)CCCCC#N ZINC000594450340 345633754 /nfs/dbraw/zinc/63/37/54/345633754.db2.gz YTKAGTQGHUJCKL-STQMWFEESA-N 0 3 263.385 2.189 20 30 CEEDHN N#Cc1ccccc1-n1cc(CCN2CCCCC2)nn1 ZINC000594652166 345667136 /nfs/dbraw/zinc/66/71/36/345667136.db2.gz PFERDOGEYCPTRE-UHFFFAOYSA-N 0 3 281.363 2.167 20 30 CEEDHN C=CCOCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594505097 345639640 /nfs/dbraw/zinc/63/96/40/345639640.db2.gz OPCUIRWZUCQQGQ-ZDUSSCGKSA-N 0 3 262.309 2.374 20 30 CEEDHN CC(C)(C)[C@H](N)c1cn(-c2ccccc2C#N)nn1 ZINC000594652532 345667161 /nfs/dbraw/zinc/66/71/61/345667161.db2.gz SLZKHJYHMXKJBN-CYBMUJFWSA-N 0 3 255.325 2.185 20 30 CEEDHN CCC(C)(C)N1CCN(c2cccnc2C#N)CC1 ZINC000594591519 345653663 /nfs/dbraw/zinc/65/36/63/345653663.db2.gz NXDDYMRDDRRSRX-UHFFFAOYSA-N 0 3 258.369 2.264 20 30 CEEDHN C=C1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000594847989 345691180 /nfs/dbraw/zinc/69/11/80/345691180.db2.gz BSESQVOCECQCTB-QGZVFWFLSA-N 0 3 299.418 2.472 20 30 CEEDHN CC(C)NCC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000595250127 345747743 /nfs/dbraw/zinc/74/77/43/345747743.db2.gz LCYJORHIZGVAIG-UHFFFAOYSA-N 0 3 271.364 2.052 20 30 CEEDHN CCC(C)(C)[C@@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000595257112 345749719 /nfs/dbraw/zinc/74/97/19/345749719.db2.gz QIHPVULORIUYHC-NEPJUHHUSA-N 0 3 253.390 2.339 20 30 CEEDHN CC1(C)CCCN[C@@H]1C(=O)NCC1(C#N)CCCCC1 ZINC000595258721 345750088 /nfs/dbraw/zinc/75/00/88/345750088.db2.gz RRMLOHKTTVHJLC-CYBMUJFWSA-N 0 3 277.412 2.355 20 30 CEEDHN C[C@@H](CC[S@](C)=O)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594932205 345707362 /nfs/dbraw/zinc/70/73/62/345707362.db2.gz NLILKJSIQSKYLL-RBZFPXEDSA-N 0 3 290.432 2.488 20 30 CEEDHN CO[C@@H](CNCc1ccc(C#N)c(C)c1)[C@@H]1CCOC1 ZINC000594954392 345715330 /nfs/dbraw/zinc/71/53/30/345715330.db2.gz ZMRIXPKBNPQFCW-CVEARBPZSA-N 0 3 274.364 2.008 20 30 CEEDHN C=CCCSCCNCc1c[nH]c(C(=O)OC)c1 ZINC000594959931 345717071 /nfs/dbraw/zinc/71/70/71/345717071.db2.gz GKAPANLWQYGPIC-UHFFFAOYSA-N 0 3 268.382 2.200 20 30 CEEDHN C[S@](=O)[C@H]1CCC[C@H](NCc2cc(C#N)cs2)C1 ZINC000594961085 345717369 /nfs/dbraw/zinc/71/73/69/345717369.db2.gz LEDPGKRJKHJHKR-FNFWKMNBSA-N 0 3 282.434 2.399 20 30 CEEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)[C@H]1CCOC1 ZINC000595060621 345737348 /nfs/dbraw/zinc/73/73/48/345737348.db2.gz MZJLPEQLOHLSIQ-DETPVDSQSA-N 0 3 292.354 2.399 20 30 CEEDHN C=CCCSCCN[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000595060174 345737555 /nfs/dbraw/zinc/73/75/55/345737555.db2.gz TXNVKNIWHSMYES-STQMWFEESA-N 0 3 291.482 2.241 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595507441 345798610 /nfs/dbraw/zinc/79/86/10/345798610.db2.gz NIIMRCGJGMCOQH-ZBFHGGJFSA-N 0 3 292.427 2.196 20 30 CEEDHN Cc1cc(CN2C[C@@H](C)C(O)[C@H](C)C2)ccc1C#N ZINC000595734009 345862754 /nfs/dbraw/zinc/86/27/54/345862754.db2.gz SSAGNEMGITWVJW-CHWSQXEVSA-N 0 3 258.365 2.315 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H]3COC[C@H]3C2)cc1F ZINC000595830923 345889308 /nfs/dbraw/zinc/88/93/08/345889308.db2.gz MYQUHYXFIWLUGK-ZIAGYGMSSA-N 0 3 260.312 2.166 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@H]2COC[C@]2(C)C1 ZINC000595756252 345867241 /nfs/dbraw/zinc/86/72/41/345867241.db2.gz FSAXCTYJFNUVOQ-HOCLYGCPSA-N 0 3 272.348 2.035 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2C[C@@H](O)C23CCC3)c1F ZINC000595781506 345875515 /nfs/dbraw/zinc/87/55/15/345875515.db2.gz LKINOTHERWKAIK-CHWSQXEVSA-N 0 3 260.312 2.090 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595856756 345899731 /nfs/dbraw/zinc/89/97/31/345899731.db2.gz DQOTULAXYMFIFI-HUORLRHWSA-N 0 3 277.412 2.304 20 30 CEEDHN C=C[C@H](CO)NCCOc1ccc(OC(F)(F)F)cc1 ZINC000595863905 345901453 /nfs/dbraw/zinc/90/14/53/345901453.db2.gz KMOCDCAFNRTQLF-SNVBAGLBSA-N 0 3 291.269 2.101 20 30 CEEDHN CCOCCC1(CNCc2cccc(C#N)n2)CC1 ZINC000602582474 347088687 /nfs/dbraw/zinc/08/86/87/347088687.db2.gz MJDJRMHNKHRRAB-UHFFFAOYSA-N 0 3 259.353 2.250 20 30 CEEDHN C=CCCSCCNC(=O)c1cc2c(s1)CCNC2 ZINC000595939447 345915582 /nfs/dbraw/zinc/91/55/82/345915582.db2.gz JAQDGEULYPDFDW-UHFFFAOYSA-N 0 3 296.461 2.433 20 30 CEEDHN CCC1(CC)CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000595942912 345916658 /nfs/dbraw/zinc/91/66/58/345916658.db2.gz MWYLCFAYROAMMA-CYBMUJFWSA-N 0 3 265.401 2.436 20 30 CEEDHN CCN1CCCN(c2ncc(C#N)cc2F)[C@@H](C)C1 ZINC000596269226 345986544 /nfs/dbraw/zinc/98/65/44/345986544.db2.gz OZDCYNCJDJQXGY-NSHDSACASA-N 0 3 262.332 2.013 20 30 CEEDHN CCCN1CC[C@H](NC(=O)Nc2cc(C#N)ccc2C)C1 ZINC000596708542 346077615 /nfs/dbraw/zinc/07/76/15/346077615.db2.gz OQABWTDZLLWKOS-AWEZNQCLSA-N 0 3 286.379 2.473 20 30 CEEDHN N#CC1(c2ccc(CN3CCC(CO)CC3)cc2)CC1 ZINC000596982732 346111915 /nfs/dbraw/zinc/11/19/15/346111915.db2.gz HJZOWSOPKZENQI-UHFFFAOYSA-N 0 3 270.376 2.446 20 30 CEEDHN COC(=O)c1ccc(CNCC2(CC#N)CC2)cc1F ZINC000597116784 346130266 /nfs/dbraw/zinc/13/02/66/346130266.db2.gz HVJBEJYCRGJQPS-UHFFFAOYSA-N 0 3 276.311 2.396 20 30 CEEDHN N#Cc1ccc2ncc(CN3CC[C@H]4C[C@H]4C3)n2c1 ZINC000597223442 346154045 /nfs/dbraw/zinc/15/40/45/346154045.db2.gz OUXJLAMHQFZTOS-STQMWFEESA-N 0 3 252.321 2.048 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)CC3(C#N)CCCCC3)[C@H]2C1 ZINC000597483371 346192243 /nfs/dbraw/zinc/19/22/43/346192243.db2.gz DQLNJCBTBGNMFT-GJZGRUSLSA-N 0 3 289.423 2.403 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)C1(C#N)CCCCC1 ZINC000597858569 346239862 /nfs/dbraw/zinc/23/98/62/346239862.db2.gz NFGWVDSNTDQGKK-CYBMUJFWSA-N 0 3 277.412 2.449 20 30 CEEDHN CCN(CC)CC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000597948787 346256938 /nfs/dbraw/zinc/25/69/38/346256938.db2.gz NJMMFDWUBGITRM-UHFFFAOYSA-N 0 3 273.380 2.251 20 30 CEEDHN N#CCC1CN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000598023427 346268523 /nfs/dbraw/zinc/26/85/23/346268523.db2.gz YEKYNDRROYKXSM-OAHLLOKOSA-N 0 3 275.396 2.156 20 30 CEEDHN CN(C)Cc1c2ccccc2oc1C(=O)N1CC(CC#N)C1 ZINC000598030527 346269999 /nfs/dbraw/zinc/26/99/99/346269999.db2.gz DDYLKGGAFWOFDY-UHFFFAOYSA-N 0 3 297.358 2.480 20 30 CEEDHN CCN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CCN(CC)C1 ZINC000598042211 346274452 /nfs/dbraw/zinc/27/44/52/346274452.db2.gz WHRXSZUHNDQPKI-AWEZNQCLSA-N 0 3 289.354 2.254 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)CCc2ccc(C#N)cc2)C1 ZINC000598342299 346331922 /nfs/dbraw/zinc/33/19/22/346331922.db2.gz FVJGILMULGPBBW-MRXNPFEDSA-N 0 3 285.391 2.091 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)CCCCC#N ZINC000598262842 346316211 /nfs/dbraw/zinc/31/62/11/346316211.db2.gz MOPZOLKDDCDCSA-AWEZNQCLSA-N 0 3 265.401 2.307 20 30 CEEDHN C[C@@]1(C#N)CCN(C(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000598413251 346350042 /nfs/dbraw/zinc/35/00/42/346350042.db2.gz ZEPGORPROAVPSP-HOCLYGCPSA-N 0 3 275.396 2.156 20 30 CEEDHN C[C@@H](C(=O)N1CC[C@@](C)(C#N)C1)N1[C@H](C)CC[C@@H]1C ZINC000598414760 346350960 /nfs/dbraw/zinc/35/09/60/346350960.db2.gz FSXJRTAJRUEJRV-XFMPKHEZSA-N 0 3 263.385 2.010 20 30 CEEDHN CC(C#N)C(=O)NCc1cc(F)ccc1OC(F)F ZINC000598438256 346357068 /nfs/dbraw/zinc/35/70/68/346357068.db2.gz UBIGMGGVMQHSFT-ZETCQYMHSA-N 0 3 272.226 2.203 20 30 CEEDHN COc1cccc(CN(C)C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598586187 346377472 /nfs/dbraw/zinc/37/74/72/346377472.db2.gz FCKVBJQJWUABQF-AWEZNQCLSA-N 0 3 276.380 2.428 20 30 CEEDHN COc1ccc(CN(C)C[C@@H](O)CC(C)(C)C#N)cc1O ZINC000598594179 346380331 /nfs/dbraw/zinc/38/03/31/346380331.db2.gz ZSXVCQKPJOBQRR-ZDUSSCGKSA-N 0 3 292.379 2.133 20 30 CEEDHN CC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1c(C)nn(C)c1C ZINC000598612949 346384069 /nfs/dbraw/zinc/38/40/69/346384069.db2.gz SSNDSDLUCCOQPC-KBPBESRZSA-N 0 3 292.427 2.378 20 30 CEEDHN COc1cc(CN2CC[C@H](C)[C@@H](CO)C2)ccc1C#N ZINC000598678358 346399401 /nfs/dbraw/zinc/39/94/01/346399401.db2.gz WUBKRVQKNRLWDJ-SWLSCSKDSA-N 0 3 274.364 2.017 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1COCc2ccccc21 ZINC000598727196 346409693 /nfs/dbraw/zinc/40/96/93/346409693.db2.gz DQHFYQKMSMVJLJ-HIFRSBDPSA-N 0 3 274.364 2.148 20 30 CEEDHN COc1nc(C)cc(C)c1CNC[C@H](O)CC(C)(C)C#N ZINC000598718445 346407049 /nfs/dbraw/zinc/40/70/49/346407049.db2.gz BKHMXNCIIORGHQ-CYBMUJFWSA-N 0 3 291.395 2.097 20 30 CEEDHN CCc1ccnc(CNC[C@H](O)CC(C)(C)C#N)c1 ZINC000598723266 346408627 /nfs/dbraw/zinc/40/86/27/346408627.db2.gz FOYHWYJIQNJIIE-CQSZACIVSA-N 0 3 261.369 2.034 20 30 CEEDHN C=C(C)CNCc1cc(C(=O)OC)c2n1CCCC2 ZINC000598644190 346391612 /nfs/dbraw/zinc/39/16/12/346391612.db2.gz XJJVEZLGUHQTSH-UHFFFAOYSA-N 0 3 262.353 2.277 20 30 CEEDHN CC1CC(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000598777987 346417654 /nfs/dbraw/zinc/41/76/54/346417654.db2.gz DYZCGLOKDZVFOW-VDSRIPIWSA-N 0 3 281.359 2.403 20 30 CEEDHN N#CCCCCNC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000598983124 346442075 /nfs/dbraw/zinc/44/20/75/346442075.db2.gz BJUANJLDNCFILU-HNNXBMFYSA-N 0 3 292.427 2.386 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CO)Cc2ccccc2)cc1 ZINC000063218172 362761294 /nfs/dbraw/zinc/76/12/94/362761294.db2.gz KYJIAWURNFTZHK-QGZVFWFLSA-N 0 3 266.344 2.251 20 30 CEEDHN N#Cc1cccc(CN[C@H](CO)Cc2ccccc2)c1 ZINC000063218151 362761371 /nfs/dbraw/zinc/76/13/71/362761371.db2.gz UNKJEHRGNKXMQO-KRWDZBQOSA-N 0 3 266.344 2.251 20 30 CEEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccc2c(c1)OCO2 ZINC000599350509 346503847 /nfs/dbraw/zinc/50/38/47/346503847.db2.gz SVYFGDATBHORFV-WCQYABFASA-N 0 3 288.347 2.121 20 30 CEEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc(C#N)c1 ZINC000599348597 346503955 /nfs/dbraw/zinc/50/39/55/346503955.db2.gz HQAFYTFQVKHMGT-DOMZBBRYSA-N 0 3 269.348 2.264 20 30 CEEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccccc1[N+](=O)[O-] ZINC000599354622 346504910 /nfs/dbraw/zinc/50/49/10/346504910.db2.gz QTMLYEIBANBJPX-NEPJUHHUSA-N 0 3 289.335 2.300 20 30 CEEDHN C[C@]1(NCc2cccc(C#N)n2)CCO[C@@H]1C1CC1 ZINC000602607175 347098485 /nfs/dbraw/zinc/09/84/85/347098485.db2.gz HUOKUBFJUFVSRN-CABCVRRESA-N 0 3 257.337 2.000 20 30 CEEDHN CCCCN(C)CCNC(=O)C(C#N)(CC)CC ZINC000599454304 346524265 /nfs/dbraw/zinc/52/42/65/346524265.db2.gz KNCITJZVEJBXSV-UHFFFAOYSA-N 0 3 253.390 2.164 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@H]2CCc3c2cccc3O)CC1 ZINC000599432108 346518773 /nfs/dbraw/zinc/51/87/73/346518773.db2.gz HWXURSFSEKKSLQ-RISCZKNCSA-N 0 3 272.348 2.024 20 30 CEEDHN CNC(=O)CC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599303910 346494635 /nfs/dbraw/zinc/49/46/35/346494635.db2.gz HQFAZLFBUOJANI-UHFFFAOYSA-N 0 3 285.391 2.215 20 30 CEEDHN Cc1ccc(CN2CCN(C3CCOCC3)CC2)cc1C#N ZINC000599308283 346496657 /nfs/dbraw/zinc/49/66/57/346496657.db2.gz TVGLSVUEDIFBBF-UHFFFAOYSA-N 0 3 299.418 2.163 20 30 CEEDHN Cc1ccc(CN2CCC[C@@H]([C@H](C)O)C2)cc1C#N ZINC000599334981 346500478 /nfs/dbraw/zinc/50/04/78/346500478.db2.gz LOKFBXSKPLGAMZ-DZGCQCFKSA-N 0 3 258.365 2.460 20 30 CEEDHN Cc1ccc(CN2CCC(Cn3ccnn3)CC2)cc1C#N ZINC000599336553 346501630 /nfs/dbraw/zinc/50/16/30/346501630.db2.gz PNRMCDZNRHEIBJ-UHFFFAOYSA-N 0 3 295.390 2.370 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCC2(CC2)CC1 ZINC000599673630 346560587 /nfs/dbraw/zinc/56/05/87/346560587.db2.gz RVPZZRUJJTYHRY-OAHLLOKOSA-N 0 3 277.412 2.307 20 30 CEEDHN C/C=C\C[C@@H]1CCCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000599688572 346565891 /nfs/dbraw/zinc/56/58/91/346565891.db2.gz FERZFHKQKBXXAB-ZYOQUQOHSA-N 0 3 277.412 2.425 20 30 CEEDHN CC(C)[C@@H](O)CN1CCc2c(CC#N)cccc2C1 ZINC000599677322 346562731 /nfs/dbraw/zinc/56/27/31/346562731.db2.gz FBEZMARINBCRJP-INIZCTEOSA-N 0 3 258.365 2.128 20 30 CEEDHN COC(=O)CC1CCC(NCC2(C#N)CCC2)CC1 ZINC000600165946 346611165 /nfs/dbraw/zinc/61/11/65/346611165.db2.gz ZBKALLQFFIAJAD-UHFFFAOYSA-N 0 3 264.369 2.392 20 30 CEEDHN N#CCC[C@@H](C#N)CNC[C@@H]1CCN1C1CCCC1 ZINC000600614274 346662958 /nfs/dbraw/zinc/66/29/58/346662958.db2.gz RBAJZXILZHCCKZ-ZFWWWQNUSA-N 0 3 260.385 2.036 20 30 CEEDHN CCC(C#N)C(=O)N[C@@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000600288755 346631349 /nfs/dbraw/zinc/63/13/49/346631349.db2.gz XKNKRZMZKPECDD-ABAIWWIYSA-N 0 3 280.368 2.164 20 30 CEEDHN N#CC1(C[C@H](O)CNCc2cccc(Cl)c2)CC1 ZINC000600713150 346676153 /nfs/dbraw/zinc/67/61/53/346676153.db2.gz GCIDUTSQXGWLBO-ZDUSSCGKSA-N 0 3 264.756 2.484 20 30 CEEDHN CC[C@H]1CN(C)CCCN1c1ncc(C#N)cc1F ZINC000601189096 346781181 /nfs/dbraw/zinc/78/11/81/346781181.db2.gz OVNLKUBWWZKBMY-LBPRGKRZSA-N 0 3 262.332 2.013 20 30 CEEDHN CN1CC[C@@H]2CN(c3nc(C#N)c(Cl)s3)C[C@@H]2C1 ZINC000601185172 346780006 /nfs/dbraw/zinc/78/00/06/346780006.db2.gz PYPZIIGZHNTYSI-BDAKNGLRSA-N 0 3 282.800 2.056 20 30 CEEDHN C[C@H]1[C@H](N2CCCC2)CCN1Cc1nc(C#N)cs1 ZINC000356312943 370653987 /nfs/dbraw/zinc/65/39/87/370653987.db2.gz CTVCURTWNZFCNJ-WCQYABFASA-N 0 3 276.409 2.073 20 30 CEEDHN CCOC(=O)c1ccc(CNCC(C)(C)CC#N)[nH]1 ZINC000602691139 347149906 /nfs/dbraw/zinc/14/99/06/347149906.db2.gz 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/nfs/dbraw/zinc/18/08/12/186180812.db2.gz SYNXEDPRZNHVMK-HNNXBMFYSA-N 0 3 298.390 2.044 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@]1(CO)CCCC(C)(C)C1 ZINC000625831999 350580771 /nfs/dbraw/zinc/58/07/71/350580771.db2.gz DJPQHINSXUZIRL-QGZVFWFLSA-N 0 3 294.439 2.108 20 30 CEEDHN C=C(C)COc1cc(CN(C)C[C@H](C)O)ccc1OC ZINC000130806425 365994649 /nfs/dbraw/zinc/99/46/49/365994649.db2.gz LNVDTCBSZKRCPV-ZDUSSCGKSA-N 0 3 279.380 2.463 20 30 CEEDHN CC[C@H](C)CN(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000111255242 186379259 /nfs/dbraw/zinc/37/92/59/186379259.db2.gz GEKDELYFZGKYPX-JSGCOSHPSA-N 0 3 253.390 2.019 20 30 CEEDHN C[C@@H](O)[C@@H]1CCCCN1CCOc1ccc(C#N)cc1 ZINC000069876925 363010536 /nfs/dbraw/zinc/01/05/36/363010536.db2.gz PXQOAMJOXDAKAD-CJNGLKHVSA-N 0 3 274.364 2.172 20 30 CEEDHN C=CC(C)(C)CCN[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000629250892 351310027 /nfs/dbraw/zinc/31/00/27/351310027.db2.gz OOMUGXBKNCMOFX-AWEZNQCLSA-N 0 3 278.371 2.414 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000629415122 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ZINC000072736630 363164565 /nfs/dbraw/zinc/16/45/65/363164565.db2.gz QSKYRUOQPVZDKA-UHFFFAOYSA-N 0 3 295.433 2.298 20 30 CEEDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(C#N)cc1 ZINC000271644226 191257571 /nfs/dbraw/zinc/25/75/71/191257571.db2.gz HUHZZNPTQHPHSY-LLVKDONJSA-N 0 3 285.307 2.014 20 30 CEEDHN C#CCSCCNCc1cnn(C(C)(C)C)c1 ZINC000152924412 188053342 /nfs/dbraw/zinc/05/33/42/188053342.db2.gz FBUGXKKACIIJEV-UHFFFAOYSA-N 0 3 251.399 2.094 20 30 CEEDHN C#CCOc1ccc(CN[C@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000152954439 188054994 /nfs/dbraw/zinc/05/49/94/188054994.db2.gz CTWVYUYNQUMPQK-PMPSAXMXSA-N 0 3 257.333 2.108 20 30 CEEDHN CNC(=O)CCCN(C)CC#Cc1cccc(Cl)c1 ZINC000155121532 188184383 /nfs/dbraw/zinc/18/43/83/188184383.db2.gz RMCGRLGTURNJBM-UHFFFAOYSA-N 0 3 278.783 2.150 20 30 CEEDHN CCc1nccn1CC(=O)C(C#N)c1nc(C)cs1 ZINC000158548134 188381929 /nfs/dbraw/zinc/38/19/29/188381929.db2.gz UOPBNSLMNRXTBN-JTQLQIEISA-N 0 3 274.349 2.087 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@H](O)C12CCCC2 ZINC000292705986 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ZINC000342572760 367428809 /nfs/dbraw/zinc/42/88/09/367428809.db2.gz GBATXUJBAAWUED-HUUCEWRRSA-N 0 3 293.411 2.175 20 30 CEEDHN C=CCN1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000170917782 367449263 /nfs/dbraw/zinc/44/92/63/367449263.db2.gz XYGZOZCYKDMQNB-GFCCVEGCSA-N 0 3 254.374 2.361 20 30 CEEDHN CN(C)C(=O)[C@@H](NCCCCC#N)c1ccccc1 ZINC000171034553 367466055 /nfs/dbraw/zinc/46/60/55/367466055.db2.gz QRGMCBMMDNKJFF-AWEZNQCLSA-N 0 3 259.353 2.099 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(F)ccc2F)CC1 ZINC000171723883 367602487 /nfs/dbraw/zinc/60/24/87/367602487.db2.gz QTCDPEQUCIHKDZ-UHFFFAOYSA-N 0 3 280.318 2.345 20 30 CEEDHN CCC#C[C@H](C)N1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000681699416 541584100 /nfs/dbraw/zinc/58/41/00/541584100.db2.gz USZQGTVQWWOGJN-SUMWQHHRSA-N 0 3 268.360 2.384 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000682038999 541623604 /nfs/dbraw/zinc/62/36/04/541623604.db2.gz OLKXEYVOHWPDMS-RYUDHWBXSA-N 0 3 281.318 2.357 20 30 CEEDHN CC[C@@H](C)N[C@H](CNc1nc(C)cc(C#N)n1)c1ccco1 ZINC000343246872 367723262 /nfs/dbraw/zinc/72/32/62/367723262.db2.gz GCNDRFAIMMGFOR-BXUZGUMPSA-N 0 3 299.378 2.213 20 30 CEEDHN CN(Cc1ccc(C#N)s1)C[C@@H]1CCC[C@H]1O ZINC000245719604 370864069 /nfs/dbraw/zinc/86/40/69/370864069.db2.gz DFWIYGFAIPPLJG-GXFFZTMASA-N 0 3 250.367 2.213 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)cn2)CC1 ZINC000172515870 367767131 /nfs/dbraw/zinc/76/71/31/367767131.db2.gz XMQWJFORUOOTCR-UHFFFAOYSA-N 0 3 279.771 2.115 20 30 CEEDHN CN(C(=O)/C=C/c1ccccc1C#N)[C@@H]1CCCN(C)C1 ZINC000172750930 367813032 /nfs/dbraw/zinc/81/30/32/367813032.db2.gz XSGVVKQSHJKWTA-ZNFPLGDCSA-N 0 3 283.375 2.124 20 30 CEEDHN C[C@H]1[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CCCN1C ZINC000343438054 367814363 /nfs/dbraw/zinc/81/43/63/367814363.db2.gz LVAUIQIMPGUNHV-XJKSGUPXSA-N 0 3 297.402 2.454 20 30 CEEDHN C=C1CC(C)(C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000632686623 367878216 /nfs/dbraw/zinc/87/82/16/367878216.db2.gz GOSZPAJLRBRNJL-UHFFFAOYSA-N 0 3 250.386 2.285 20 30 CEEDHN CCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](C)C(C)C ZINC000343518727 367859783 /nfs/dbraw/zinc/85/97/83/367859783.db2.gz HBGDYBKAOVVPCP-SWLSCSKDSA-N 0 3 265.401 2.161 20 30 CEEDHN C=CC[C@H](CC)NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000343771307 367995397 /nfs/dbraw/zinc/99/53/97/367995397.db2.gz VERZFZSGKYVMAW-ZFWWWQNUSA-N 0 3 280.412 2.101 20 30 CEEDHN C#CCNC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000174616049 368047931 /nfs/dbraw/zinc/04/79/31/368047931.db2.gz VTEUJITWVZTXLN-QGZVFWFLSA-N 0 3 299.418 2.173 20 30 CEEDHN CN(C)CCOc1cccc(CNCc2ccc(C#N)o2)c1 ZINC000174277305 368006403 /nfs/dbraw/zinc/00/64/03/368006403.db2.gz HRVRFKMJVMEHIT-UHFFFAOYSA-N 0 3 299.374 2.381 20 30 CEEDHN CC(C)c1noc(CCCNCc2ccc(C#N)o2)n1 ZINC000174340851 368012432 /nfs/dbraw/zinc/01/24/32/368012432.db2.gz XRFGWJWCEMJUFQ-UHFFFAOYSA-N 0 3 274.324 2.380 20 30 CEEDHN COCc1ccc([C@H]2CCCN2C(=O)C(C)C#N)o1 ZINC000345180668 368183194 /nfs/dbraw/zinc/18/31/94/368183194.db2.gz SCNTUHMFUWJBDD-CMPLNLGQSA-N 0 3 262.309 2.249 20 30 CEEDHN COCCO[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000179365166 368336848 /nfs/dbraw/zinc/33/68/48/368336848.db2.gz QHHWJJYBZDQKGR-MRXNPFEDSA-N 0 3 274.364 2.186 20 30 CEEDHN C[C@@H](NCC1([S@@](C)=O)CC1)c1ccc(C#N)cc1 ZINC000282460399 296119902 /nfs/dbraw/zinc/11/99/02/296119902.db2.gz VOIKARYPJQTHMW-ADLMAVQZSA-N 0 3 262.378 2.120 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2cnn(CC3CC3)c2)nc(C)n1 ZINC000633899253 368454564 /nfs/dbraw/zinc/45/45/64/368454564.db2.gz FOYKIHPEVVMPMK-AWEZNQCLSA-N 0 3 295.346 2.190 20 30 CEEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1 ZINC000345873904 368464081 /nfs/dbraw/zinc/46/40/81/368464081.db2.gz JFLFPOCZRXLTIJ-GLQYFDAESA-N 0 3 271.364 2.124 20 30 CEEDHN CCN1C[C@@H](C)N(CCOc2ccc(C#N)cc2)C[C@H]1C ZINC000346174691 368577892 /nfs/dbraw/zinc/57/78/92/368577892.db2.gz HIAQNENNDFUWKJ-HUUCEWRRSA-N 0 3 287.407 2.352 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccncc2CC)CC1 ZINC000182538520 368567332 /nfs/dbraw/zinc/56/73/32/368567332.db2.gz XIYODWUVLOLXLY-UHFFFAOYSA-N 0 3 287.407 2.414 20 30 CEEDHN CC[C@H](N[C@H](C)C(=O)N(C)C)c1ccc(C#N)cc1 ZINC000572712220 299391675 /nfs/dbraw/zinc/39/16/75/299391675.db2.gz YDXWCVZKCJHBQU-RISCZKNCSA-N 0 3 259.353 2.076 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](C(C)(C)C)C1 ZINC000346599639 368729486 /nfs/dbraw/zinc/72/94/86/368729486.db2.gz GQPINSHPZHOTKX-OLZOCXBDSA-N 0 3 277.412 2.305 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CC)CC1 ZINC000358197417 370946707 /nfs/dbraw/zinc/94/67/07/370946707.db2.gz XHLYOEWJZWZPAG-LBPRGKRZSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H](C)C2)CC1 ZINC000185386432 368800947 /nfs/dbraw/zinc/80/09/47/368800947.db2.gz HIYPYFQGMMATFR-CQSZACIVSA-N 0 3 279.428 2.468 20 30 CEEDHN CCOC(=O)[C@@]1(COC)CCCN(CCC(C)(C)C#N)C1 ZINC000347189344 368802572 /nfs/dbraw/zinc/80/25/72/368802572.db2.gz CSEBGDHBUIZFGH-INIZCTEOSA-N 0 3 296.411 2.218 20 30 CEEDHN C=C(C)CN[C@@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000185645593 368835740 /nfs/dbraw/zinc/83/57/40/368835740.db2.gz BHRVCFRIEWXMDO-LBPRGKRZSA-N 0 3 263.337 2.465 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)Nc1ccc(C#N)cc1 ZINC000185979812 368899012 /nfs/dbraw/zinc/89/90/12/368899012.db2.gz VNTYVCDQISQLFF-UHFFFAOYSA-N 0 3 272.352 2.116 20 30 CEEDHN CCO[C@@H]1C[C@@](CO)(NCc2ccc(C#N)cc2)C1(C)C ZINC000186578574 368998649 /nfs/dbraw/zinc/99/86/49/368998649.db2.gz AWBVFDGNKDQRND-WBVHZDCISA-N 0 3 288.391 2.214 20 30 CEEDHN CCO[C@@H]1C[C@@](CO)(NCc2cc(C#N)cs2)C1(C)C ZINC000186579788 369000468 /nfs/dbraw/zinc/00/04/68/369000468.db2.gz SGVUIKBSWJFHJQ-HIFRSBDPSA-N 0 3 294.420 2.275 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000186699576 369022646 /nfs/dbraw/zinc/02/26/46/369022646.db2.gz IGRMEZBWMOTHSX-NHYWBVRUSA-N 0 3 262.353 2.233 20 30 CEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccon1 ZINC000348438038 369046142 /nfs/dbraw/zinc/04/61/42/369046142.db2.gz FATLSTNTKSAVAR-FZMZJTMJSA-N 0 3 294.314 2.106 20 30 CEEDHN CC(C)[C@H]1CN(C)CCN1CCOc1ccc(C#N)cc1 ZINC000348583150 369096161 /nfs/dbraw/zinc/09/61/61/369096161.db2.gz WSIJWNMCXJKBQD-QGZVFWFLSA-N 0 3 287.407 2.209 20 30 CEEDHN CN(C(=O)C1(c2ccc(C#N)cc2)CC1)[C@@H]1CCCN(C)C1 ZINC000187362211 369145378 /nfs/dbraw/zinc/14/53/78/369145378.db2.gz WNUYSAAYTPSUBU-MRXNPFEDSA-N 0 3 297.402 2.142 20 30 CEEDHN CC[C@@H]1CCCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000330711021 203143007 /nfs/dbraw/zinc/14/30/07/203143007.db2.gz XNASXSGVTLULTD-MRXNPFEDSA-N 0 3 285.391 2.439 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccn3cc(C)nc3c2)CC1 ZINC000635530703 369206839 /nfs/dbraw/zinc/20/68/39/369206839.db2.gz JNHVEKJIWFIMGG-UHFFFAOYSA-N 0 3 298.390 2.023 20 30 CEEDHN CCc1nn(C)c(CC)c1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000349814259 369408006 /nfs/dbraw/zinc/40/80/06/369408006.db2.gz SFOQXTWCXQSILO-VXGBXAGGSA-N 0 3 260.385 2.327 20 30 CEEDHN COc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(OC)c1 ZINC000349829962 369414833 /nfs/dbraw/zinc/41/48/33/369414833.db2.gz PTTMBYSXIDCUFF-YPMHNXCESA-N 0 3 260.337 2.486 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000349878274 369434708 /nfs/dbraw/zinc/43/47/08/369434708.db2.gz VQISWKRIMITNRW-UMVBOHGHSA-N 0 3 265.401 2.305 20 30 CEEDHN COC(=O)[C@H](C)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000189368339 369506114 /nfs/dbraw/zinc/50/61/14/369506114.db2.gz ZVEBKQZFXXCHFB-NEPJUHHUSA-N 0 3 260.337 2.360 20 30 CEEDHN C=CCN(C(=O)NC[C@H]1CCCN1CCC)C1CC1 ZINC000358268064 370984329 /nfs/dbraw/zinc/98/43/29/370984329.db2.gz BARBZEHOHZFXSY-CQSZACIVSA-N 0 3 265.401 2.221 20 30 CEEDHN COC[C@H](C)CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000189728973 369563473 /nfs/dbraw/zinc/56/34/73/369563473.db2.gz SEMVNNRJORZQGP-CYBMUJFWSA-N 0 3 291.370 2.102 20 30 CEEDHN C[C@@H]1CCN(CC#Cc2cccc(Cl)c2)[C@@H]1CO ZINC000190381592 369618488 /nfs/dbraw/zinc/61/84/88/369618488.db2.gz KBZCUCCBBIMQDU-IUODEOHRSA-N 0 3 263.768 2.394 20 30 CEEDHN CC#CCCN1CCC(Oc2ccc(F)nc2)CC1 ZINC000190488912 369629247 /nfs/dbraw/zinc/62/92/47/369629247.db2.gz MHQSDDLLBADERE-UHFFFAOYSA-N 0 3 262.328 2.477 20 30 CEEDHN C[C@H]1CCN(Cc2cc(C#N)n(C)c2)C[C@@H]1n1ccnc1 ZINC000191442963 369714215 /nfs/dbraw/zinc/71/42/15/369714215.db2.gz XTPJZKBDLXUSFF-BBRMVZONSA-N 0 3 283.379 2.176 20 30 CEEDHN C=C(CN[C@@H](Cc1ccccc1)C(N)=O)c1ccccc1 ZINC000352335279 369677654 /nfs/dbraw/zinc/67/76/54/369677654.db2.gz UCTZUSOFHRDSOX-KRWDZBQOSA-N 0 3 280.371 2.386 20 30 CEEDHN Cn1cc(CN2CCN(C3CCCCC3)CC2)cc1C#N ZINC000191212306 369690889 /nfs/dbraw/zinc/69/08/89/369690889.db2.gz BXESNMRFEQIEAP-UHFFFAOYSA-N 0 3 286.423 2.347 20 30 CEEDHN CCc1nccn1[C@H]1CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191343692 369703950 /nfs/dbraw/zinc/70/39/50/369703950.db2.gz LNVXQJVYVFPWLC-HNNXBMFYSA-N 0 3 297.406 2.493 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(Br)o1 ZINC000191593858 369724730 /nfs/dbraw/zinc/72/47/30/369724730.db2.gz RBCIYZVKYGBVAM-MRVPVSSYSA-N 0 3 260.131 2.069 20 30 CEEDHN C=CCCCN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352669975 369827611 /nfs/dbraw/zinc/82/76/11/369827611.db2.gz CPTMDHWWDZKUBX-QWRGUYRKSA-N 0 3 251.292 2.445 20 30 CEEDHN C=C(C)CCN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352671546 369828524 /nfs/dbraw/zinc/82/85/24/369828524.db2.gz JHYPSEXFHOSKHK-GHMZBOCLSA-N 0 3 251.292 2.445 20 30 CEEDHN CCN1CCN(Cc2cc(C#N)ccc2OC)[C@@H](C)C1 ZINC000352699031 369844300 /nfs/dbraw/zinc/84/43/00/369844300.db2.gz OACSFLYTKPIIEG-ZDUSSCGKSA-N 0 3 273.380 2.093 20 30 CEEDHN C[C@H](CNCc1nc(C#N)cs1)N1CCCC[C@@H]1C ZINC000352820910 369895317 /nfs/dbraw/zinc/89/53/17/369895317.db2.gz DYQJNJHKBUBKKQ-NWDGAFQWSA-N 0 3 278.425 2.367 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000637322117 369898975 /nfs/dbraw/zinc/89/89/75/369898975.db2.gz PKHMNMAJHSKSLM-AWEZNQCLSA-N 0 3 277.412 2.244 20 30 CEEDHN CCC1(CNCc2nc(C#N)cs2)CCOCC1 ZINC000352829403 369901034 /nfs/dbraw/zinc/90/10/34/369901034.db2.gz AZRBYMOMJLITOU-UHFFFAOYSA-N 0 3 265.382 2.311 20 30 CEEDHN COC(=O)CC1(NCCOc2ccc(C#N)cc2)CCC1 ZINC000353048308 369999827 /nfs/dbraw/zinc/99/98/27/369999827.db2.gz UKWYFTCOUXHMOB-UHFFFAOYSA-N 0 3 288.347 2.012 20 30 CEEDHN C=CCN(C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000637718704 370046393 /nfs/dbraw/zinc/04/63/93/370046393.db2.gz JGEQDBPXMLMSDP-INIZCTEOSA-N 0 3 287.407 2.397 20 30 CEEDHN CC(C)(C)[C@H]1NC(=O)CC[C@H]1NCc1cccc(C#N)c1 ZINC000353123768 370027621 /nfs/dbraw/zinc/02/76/21/370027621.db2.gz XNABWNSKHUTZLM-ZBFHGGJFSA-N 0 3 285.391 2.341 20 30 CEEDHN C[C@H]1CCCC[C@@H]1N(C)CC(=O)N(CCC#N)CCC#N ZINC000193959581 369995280 /nfs/dbraw/zinc/99/52/80/369995280.db2.gz KFCIAKDSGOMQKF-GJZGRUSLSA-N 0 3 290.411 2.153 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1C=C[C@@H](CO)C1)CC2 ZINC000353262043 370103027 /nfs/dbraw/zinc/10/30/27/370103027.db2.gz DNLLAEDCYPCNGU-XNRPHZJLSA-N 0 3 254.333 2.072 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H]1CCC[C@@]1(C)CO ZINC000331177121 203600797 /nfs/dbraw/zinc/60/07/97/203600797.db2.gz PXPRRNCXPFHOSU-HOTGVXAUSA-N 0 3 274.364 2.208 20 30 CEEDHN Cc1nsc(NC[C@H](C)N(C)C2CC2)c1C#N ZINC000219049855 370217672 /nfs/dbraw/zinc/21/76/72/370217672.db2.gz GVLOTFAJJZGGJJ-QMMMGPOBSA-N 0 3 250.371 2.218 20 30 CEEDHN C[C@H](CNC(=O)C[C@H](CC#N)c1ccccc1)N(C)C ZINC000354410907 370352234 /nfs/dbraw/zinc/35/22/34/370352234.db2.gz CHVQRTGUSSOBFL-HIFRSBDPSA-N 0 3 273.380 2.140 20 30 CEEDHN C[C@H](CNCc1ccc(C#N)cc1F)N(C)C1CC1 ZINC000227597067 370375063 /nfs/dbraw/zinc/37/50/63/370375063.db2.gz IRKHNZNRSBEQFK-LLVKDONJSA-N 0 3 261.344 2.270 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@](C)(O)CCC ZINC000226251252 370332133 /nfs/dbraw/zinc/33/21/33/370332133.db2.gz QUSBZFFSSFSZHD-INIZCTEOSA-N 0 3 261.365 2.339 20 30 CEEDHN COc1cc(CN2CCC[C@@](C)(O)CC2)ccc1C#N ZINC000230352648 370453807 /nfs/dbraw/zinc/45/38/07/370453807.db2.gz CRMCBUJQMDZSTI-MRXNPFEDSA-N 0 3 274.364 2.304 20 30 CEEDHN C=CCOc1ccccc1CN1C[C@H](O)[C@H](CC)C1 ZINC000355196459 370544837 /nfs/dbraw/zinc/54/48/37/370544837.db2.gz JURSPAPOIXZYKQ-HIFRSBDPSA-N 0 3 261.365 2.454 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@]1(C)CCO[C@H]1C ZINC000234850767 370545456 /nfs/dbraw/zinc/54/54/56/370545456.db2.gz GIFKCAFLYSZLBL-NHYWBVRUSA-N 0 3 260.337 2.224 20 30 CEEDHN COc1cc(CN[C@@H](CO)CC(C)C)ccc1C#N ZINC000234854103 370545926 /nfs/dbraw/zinc/54/59/26/370545926.db2.gz IXEUVGYISDYHSL-CQSZACIVSA-N 0 3 262.353 2.063 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000638473779 370557215 /nfs/dbraw/zinc/55/72/15/370557215.db2.gz DJZNCUHLELPWQT-GFCCVEGCSA-N 0 3 256.349 2.328 20 30 CEEDHN CC#CCCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000355160049 370528025 /nfs/dbraw/zinc/52/80/25/370528025.db2.gz IQLNOJOSARPEED-GDBMZVCRSA-N 0 3 287.407 2.390 20 30 CEEDHN C=CCCC1(C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000355634319 370608576 /nfs/dbraw/zinc/60/85/76/370608576.db2.gz KZOUOUKYCFLYND-LBPRGKRZSA-N 0 3 250.386 2.332 20 30 CEEDHN CC(C)[C@@H]1CCCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247217536 371078339 /nfs/dbraw/zinc/07/83/39/371078339.db2.gz VEIINSGTNURCEV-GOEBONIOSA-N 0 3 277.412 2.305 20 30 CEEDHN C=CCC[C@H](CO)NCc1cc(OC)c(O)cc1Cl ZINC000639239258 371134369 /nfs/dbraw/zinc/13/43/69/371134369.db2.gz SZVTUDAONVDOJW-LLVKDONJSA-N 0 3 285.771 2.471 20 30 CEEDHN CCS[C@@H]1CC[C@@H](N(C)CC(=O)N(CC)CCC#N)C1 ZINC000247691509 371135859 /nfs/dbraw/zinc/13/58/59/371135859.db2.gz VZMVEHMYWJAXCG-ZIAGYGMSSA-N 0 3 297.468 2.355 20 30 CEEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000358562599 371118414 /nfs/dbraw/zinc/11/84/14/371118414.db2.gz HLBDILPTGMIBFT-YVLXSGLVSA-N 0 3 289.354 2.263 20 30 CEEDHN COCCN1CC[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000358567391 371121439 /nfs/dbraw/zinc/12/14/39/371121439.db2.gz CLXGWKRZQPBGSX-GXTWGEPZSA-N 0 3 291.370 2.069 20 30 CEEDHN CN(C)CCN(C(=O)NCC(C)(C)C#N)C1CCCC1 ZINC000358629425 371144785 /nfs/dbraw/zinc/14/47/85/371144785.db2.gz UMGNGOHCMZHXFK-UHFFFAOYSA-N 0 3 280.416 2.052 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](OCCO)C1 ZINC000249257328 371307180 /nfs/dbraw/zinc/30/71/80/371307180.db2.gz GWTWMNQMGMYRMJ-CZUORRHYSA-N 0 3 274.364 2.093 20 30 CEEDHN CC[C@@H]1CCCN(CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000249731113 371356998 /nfs/dbraw/zinc/35/69/98/371356998.db2.gz TYUVUMMJPIGBMX-ZIAGYGMSSA-N 0 3 265.401 2.117 20 30 CEEDHN N#CCCCN1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000360614577 371521906 /nfs/dbraw/zinc/52/19/06/371521906.db2.gz SWEPCZMUVMILQF-UHFFFAOYSA-N 0 3 276.355 2.499 20 30 CEEDHN C=CC[C@@H]1CCCN([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000639798280 371578991 /nfs/dbraw/zinc/57/89/91/371578991.db2.gz BOTCSBQZUOAHCP-HIFRSBDPSA-N 0 3 262.397 2.428 20 30 CEEDHN C=CC[C@H]1CCCN([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000639798279 371579380 /nfs/dbraw/zinc/57/93/80/371579380.db2.gz BOTCSBQZUOAHCP-DZGCQCFKSA-N 0 3 262.397 2.428 20 30 CEEDHN CN(Cc1ccc(C#N)cc1F)[C@@H]1CCN(C2CC2)C1 ZINC000353327121 220028349 /nfs/dbraw/zinc/02/83/49/220028349.db2.gz DCKYJFGOAGGCOD-OAHLLOKOSA-N 0 3 273.355 2.366 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000640091733 371803285 /nfs/dbraw/zinc/80/32/85/371803285.db2.gz OQSSFGFOGBKNPU-JYJNAYRXSA-N 0 3 294.439 2.036 20 30 CEEDHN C=CCc1cc(CN[C@@H]2CO[C@@H](C)C2)cc(OC)c1O ZINC000574398828 335016313 /nfs/dbraw/zinc/01/63/13/335016313.db2.gz ODSYKFZZFABLMG-FZMZJTMJSA-N 0 3 277.364 2.396 20 30 CEEDHN CC#CCCCC(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000361623998 371984151 /nfs/dbraw/zinc/98/41/51/371984151.db2.gz PFXDUFRDFCDCMR-LSDHHAIUSA-N 0 3 294.464 2.218 20 30 CEEDHN C=CCCCC(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000361630669 371986824 /nfs/dbraw/zinc/98/68/24/371986824.db2.gz NNHOXDVLHSWNMW-ZIAGYGMSSA-N 0 3 282.453 2.381 20 30 CEEDHN CCN(CCC#N)C(=O)CN(CC1CC1)C1CCC1 ZINC000361585419 371949078 /nfs/dbraw/zinc/94/90/78/371949078.db2.gz PUGSZNCKXVDVLN-UHFFFAOYSA-N 0 3 263.385 2.013 20 30 CEEDHN N#Cc1cccc(N2CCN(CCc3ccccc3)CC2)n1 ZINC000265531098 372022835 /nfs/dbraw/zinc/02/28/35/372022835.db2.gz NPMBDOFNXTVBPQ-UHFFFAOYSA-N 0 3 292.386 2.318 20 30 CEEDHN COc1cccc([C@H](C)N[C@H](C)C(=O)N(C)CCC#N)c1 ZINC000264840588 372005736 /nfs/dbraw/zinc/00/57/36/372005736.db2.gz GTTSRURGVPNGQC-QWHCGFSZSA-N 0 3 289.379 2.106 20 30 CEEDHN N#Cc1ccc(CNCCCN2CCCCC2=O)s1 ZINC000344278237 217130461 /nfs/dbraw/zinc/13/04/61/217130461.db2.gz XQTYGPMAQPCLOX-UHFFFAOYSA-N 0 3 277.393 2.112 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1ccccc1OC(F)F ZINC000268791658 372224688 /nfs/dbraw/zinc/22/46/88/372224688.db2.gz GODPZQBARYFZMC-LLVKDONJSA-N 0 3 296.317 2.078 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000362288071 372299116 /nfs/dbraw/zinc/29/91/16/372299116.db2.gz PWOPBGBPHUJBSS-GDBMZVCRSA-N 0 3 283.375 2.033 20 30 CEEDHN C#CCOc1ccc([C@H](C)N[C@H](C)[C@H](CO)SC)cc1 ZINC000268987962 372308944 /nfs/dbraw/zinc/30/89/44/372308944.db2.gz GBYIAKRDSKYJEB-ZENOOKHLSA-N 0 3 293.432 2.462 20 30 CEEDHN C[C@@H]1[C@@H](NCc2ccc(C#N)cc2F)CCCN1C ZINC000344330693 217154139 /nfs/dbraw/zinc/15/41/39/217154139.db2.gz VRDZFFCXPIVMOZ-ABAIWWIYSA-N 0 3 261.344 2.270 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC[C@@H]2COCC[C@H]21 ZINC000362453912 372369296 /nfs/dbraw/zinc/36/92/96/372369296.db2.gz XXOUOPNHQBOEGU-HZPDHXFCSA-N 0 3 286.375 2.438 20 30 CEEDHN Cc1nccn1CCCNCc1ccc(C#N)cc1F ZINC000269428694 372448294 /nfs/dbraw/zinc/44/82/94/372448294.db2.gz OPVGNSXSSRSJRC-UHFFFAOYSA-N 0 3 272.327 2.382 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2scnc2CC)CC1 ZINC000269537469 372482672 /nfs/dbraw/zinc/48/26/72/372482672.db2.gz LSMJRQXPRCMICQ-UHFFFAOYSA-N 0 3 294.424 2.477 20 30 CEEDHN CC#CC[C@H](CO)NCc1cc2cc(OC)ccc2o1 ZINC000641767415 372705888 /nfs/dbraw/zinc/70/58/88/372705888.db2.gz KNANPIOLPHNDKF-CYBMUJFWSA-N 0 3 273.332 2.305 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc(OC)c(OC2CC2)c1 ZINC000641768068 372707275 /nfs/dbraw/zinc/70/72/75/372707275.db2.gz VOCNAPVXPUQUEB-AWEZNQCLSA-N 0 3 289.375 2.100 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc(Cl)c(OC)c1 ZINC000641768238 372708306 /nfs/dbraw/zinc/70/83/06/372708306.db2.gz YHZQVJIYZAUACC-LBPRGKRZSA-N 0 3 267.756 2.213 20 30 CEEDHN CC#CC[C@H](CO)NCc1cccc(OC(F)(F)F)c1 ZINC000641768522 372709393 /nfs/dbraw/zinc/70/93/93/372709393.db2.gz BIVYJXZBNRAZTR-GFCCVEGCSA-N 0 3 287.281 2.449 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc(OC)c(Cl)c1 ZINC000641768966 372709586 /nfs/dbraw/zinc/70/95/86/372709586.db2.gz MUSPQVZPWFTIGK-GFCCVEGCSA-N 0 3 267.756 2.213 20 30 CEEDHN C#CCN(CCn1ccnc1C)Cc1ccc(F)cc1 ZINC000270550343 372839050 /nfs/dbraw/zinc/83/90/50/372839050.db2.gz AYQUTRVSZPVSLK-UHFFFAOYSA-N 0 3 271.339 2.466 20 30 CEEDHN CN(CCC#N)C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000365426579 372856261 /nfs/dbraw/zinc/85/62/61/372856261.db2.gz WFLXYVSFWZHYNX-AWEZNQCLSA-N 0 3 263.385 2.156 20 30 CEEDHN C=CCc1cc(CNC(C)(C)[C@@H](C)O)cc(OC)c1O ZINC000270734240 372927900 /nfs/dbraw/zinc/92/79/00/372927900.db2.gz RWGKKAJKRSUMOJ-LLVKDONJSA-N 0 3 279.380 2.378 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)CCCN1C ZINC000353520797 220134543 /nfs/dbraw/zinc/13/45/43/220134543.db2.gz IJCKTZZFZTXFKZ-HZMBPMFUSA-N 0 3 290.342 2.302 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)c1ccc(C#N)s1 ZINC000344769437 217305888 /nfs/dbraw/zinc/30/58/88/217305888.db2.gz ATXSULKHCCGWPA-UHFFFAOYSA-N 0 3 265.382 2.032 20 30 CEEDHN N#Cc1cc(N2CCN3CCC2CC3)nc2ccccc12 ZINC000344808607 217317475 /nfs/dbraw/zinc/31/74/75/217317475.db2.gz IMUCEZVLDLRPHN-UHFFFAOYSA-N 0 3 278.359 2.391 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cnn3ccc(C)cc23)CC1 ZINC000271032703 373082317 /nfs/dbraw/zinc/08/23/17/373082317.db2.gz LGRIJYFPZRAIQT-UHFFFAOYSA-N 0 3 298.390 2.023 20 30 CEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cccc(C#N)c1 ZINC000271038968 373086563 /nfs/dbraw/zinc/08/65/63/373086563.db2.gz QPSMEOANWHPOEX-ZDUSSCGKSA-N 0 3 285.391 2.361 20 30 CEEDHN C#Cc1cccc(NC(=O)N2CC[C@H]3CCN(C)[C@H]3C2)c1 ZINC000367699792 373182501 /nfs/dbraw/zinc/18/25/01/373182501.db2.gz RTDGUAMEHRXFQH-ZBFHGGJFSA-N 0 3 283.375 2.226 20 30 CEEDHN CN(Cc1ccccc1)[C@H]1CCN(c2cnc(C#N)cn2)C1 ZINC000368366365 373235840 /nfs/dbraw/zinc/23/58/40/373235840.db2.gz BZKASFRRAWKBDE-INIZCTEOSA-N 0 3 293.374 2.059 20 30 CEEDHN C#CCCN1CCN(CCc2ccc(C)cc2)CC1 ZINC000271997944 373253723 /nfs/dbraw/zinc/25/37/23/373253723.db2.gz GNNPJJKYHZJXPL-UHFFFAOYSA-N 0 3 256.393 2.178 20 30 CEEDHN COc1cccc(CCNCc2ccc(C#N)s2)n1 ZINC000344951707 217365725 /nfs/dbraw/zinc/36/57/25/217365725.db2.gz GHAZAXXWJBPGGJ-UHFFFAOYSA-N 0 3 273.361 2.356 20 30 CEEDHN C#CCOc1ccc(CN(C)CCOCCCOC)cc1 ZINC000272336117 373436819 /nfs/dbraw/zinc/43/68/19/373436819.db2.gz GIRMBPWHWITURM-UHFFFAOYSA-N 0 3 291.391 2.184 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H]([C@H](C)O)C2)cc1OC ZINC000272477488 373507085 /nfs/dbraw/zinc/50/70/85/373507085.db2.gz BNDWWRCOOYQWDU-DZGCQCFKSA-N 0 3 291.391 2.463 20 30 CEEDHN C#CCCOc1ccc(CN2CC[C@@H]([C@@H](C)O)C2)cc1 ZINC000272492129 373514044 /nfs/dbraw/zinc/51/40/44/373514044.db2.gz DXLXBCHOTCXTCJ-GDBMZVCRSA-N 0 3 273.376 2.291 20 30 CEEDHN C[C@@H](NC(=O)/C=C/c1cccc(C#N)c1)C1=CCN(C)CC1 ZINC000272744207 373639349 /nfs/dbraw/zinc/63/93/49/373639349.db2.gz DEBICACUVBRPQJ-PSKZRQQASA-N 0 3 295.386 2.338 20 30 CEEDHN CC#CCCN1CCCN(c2ccc(C#N)cc2)CC1 ZINC000370392322 373647962 /nfs/dbraw/zinc/64/79/62/373647962.db2.gz XZYINRPYXFXNMI-UHFFFAOYSA-N 0 3 267.376 2.484 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H](CC)c1ccccc1 ZINC000272858088 373683765 /nfs/dbraw/zinc/68/37/65/373683765.db2.gz MEKLYOSYWFGILT-AWEZNQCLSA-N 0 3 267.394 2.328 20 30 CEEDHN CC(C)OCCN1CCC(Nc2cccnc2C#N)CC1 ZINC000274130459 373820303 /nfs/dbraw/zinc/82/03/03/373820303.db2.gz WDRJXIHMYKRSOB-UHFFFAOYSA-N 0 3 288.395 2.255 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000644941746 373793969 /nfs/dbraw/zinc/79/39/69/373793969.db2.gz CJZXMSSJIZUCNZ-AWEZNQCLSA-N 0 3 279.428 2.372 20 30 CEEDHN C=CCOCCN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000645114789 373860169 /nfs/dbraw/zinc/86/01/69/373860169.db2.gz FWHUQHOWFFZAFJ-OAHLLOKOSA-N 0 3 265.328 2.481 20 30 CEEDHN CC(C)(CCC#N)CN1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000371419157 373875657 /nfs/dbraw/zinc/87/56/57/373875657.db2.gz JSXPGHLYOLWNBY-CQSZACIVSA-N 0 3 277.412 2.307 20 30 CEEDHN C#C[C@H](NC(=O)[C@@H](CC)N(C)C)c1ccc(Cl)cc1 ZINC000491275003 261396745 /nfs/dbraw/zinc/39/67/45/261396745.db2.gz BWQPWKWTBPPRPW-UONOGXRCSA-N 0 3 278.783 2.471 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCCN(c3cccnn3)C2)s1 ZINC000371884890 373998354 /nfs/dbraw/zinc/99/83/54/373998354.db2.gz WLFICCGGQOINRI-GFCCVEGCSA-N 0 3 299.403 2.168 20 30 CEEDHN C=CCC[C@H](O)CN1CCCC[C@@H]1Cn1nc(C)nc1C ZINC000372019068 374022431 /nfs/dbraw/zinc/02/24/31/374022431.db2.gz QGSZSNOKPIVLGI-CVEARBPZSA-N 0 3 292.427 2.077 20 30 CEEDHN C=C(C)CCN[C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000274803569 374055395 /nfs/dbraw/zinc/05/53/95/374055395.db2.gz GGJIXOSYTIYPEC-GFCCVEGCSA-N 0 3 282.409 2.212 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCCC[C@@H](CO)C1 ZINC000372765066 374192669 /nfs/dbraw/zinc/19/26/69/374192669.db2.gz JLTMMVSITRFJPY-CQSZACIVSA-N 0 3 274.364 2.161 20 30 CEEDHN C=CCN(CC=C)[C@H](CNc1nnc(C)o1)C(C)C ZINC000275308795 374212451 /nfs/dbraw/zinc/21/24/51/374212451.db2.gz BTOJLSXSNYWZMT-CYBMUJFWSA-N 0 3 264.373 2.489 20 30 CEEDHN Cc1c2c(nc(SCCN(C)C)c1C#N)CCC2 ZINC000276750903 374288180 /nfs/dbraw/zinc/28/81/80/374288180.db2.gz CIUHTOJAHNOZOU-UHFFFAOYSA-N 0 3 261.394 2.404 20 30 CEEDHN Cn1ccnc1[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000373228034 374301326 /nfs/dbraw/zinc/30/13/26/374301326.db2.gz LJXAGSXSTZWDTP-GFCCVEGCSA-N 0 3 270.336 2.264 20 30 CEEDHN COc1cc(CN[C@H]2Cc3ccccc3[C@@H]2O)ccc1C#N ZINC000374148571 374501260 /nfs/dbraw/zinc/50/12/60/374501260.db2.gz ZCBKNNXKEJEURK-WMZOPIPTSA-N 0 3 294.354 2.315 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)C(F)F)CC1 ZINC000684262603 541958173 /nfs/dbraw/zinc/95/81/73/541958173.db2.gz INWNNJTXHVRAON-UHFFFAOYSA-N 0 3 289.370 2.370 20 30 CEEDHN C[C@H]1CN(CCCC2(C#N)CCOCC2)CCCO1 ZINC000375600274 374664344 /nfs/dbraw/zinc/66/43/44/374664344.db2.gz XMEDVGQGAUPOJM-AWEZNQCLSA-N 0 3 266.385 2.198 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@@](C)(O)CC2)cc1 ZINC000279744843 374974110 /nfs/dbraw/zinc/97/41/10/374974110.db2.gz XUBUUTSSFHEEQZ-QGZVFWFLSA-N 0 3 273.376 2.436 20 30 CEEDHN COc1ccc(CN[C@H](CO)CC2CCC2)cc1C#N ZINC000279781616 374983476 /nfs/dbraw/zinc/98/34/76/374983476.db2.gz LIHNCGROFTUYCT-HNNXBMFYSA-N 0 3 274.364 2.208 20 30 CEEDHN N#Cc1ccc(CN2CCCC[C@@H](CO)C2)s1 ZINC000378346045 375077886 /nfs/dbraw/zinc/07/78/86/375077886.db2.gz CFZMRHHBLRPQDO-LLVKDONJSA-N 0 3 250.367 2.214 20 30 CEEDHN CC[C@@H]1[C@@H](CO)CCN1CCOc1ccccc1C#N ZINC000385710333 375241086 /nfs/dbraw/zinc/24/10/86/375241086.db2.gz QUTDKPIYDOARDY-HUUCEWRRSA-N 0 3 274.364 2.030 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cn2ccccc2n1 ZINC000280734523 375302358 /nfs/dbraw/zinc/30/23/58/375302358.db2.gz WEIOEYUQFSOUPN-CZUORRHYSA-N 0 3 271.364 2.405 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1nc(C)ccc1[O-] ZINC000280604407 375259045 /nfs/dbraw/zinc/25/90/45/375259045.db2.gz JQAZJCJIRNHKKU-IUODEOHRSA-N 0 3 262.353 2.166 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cn(C(C)C)cn2)CC1 ZINC000281197424 375362278 /nfs/dbraw/zinc/36/22/78/375362278.db2.gz IWPXJPBGRNNUFA-UHFFFAOYSA-N 0 3 290.411 2.234 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](CC)CC(F)(F)F ZINC000402760515 375376209 /nfs/dbraw/zinc/37/62/09/375376209.db2.gz YHJSZUGHBPETOL-LLVKDONJSA-N 0 3 278.318 2.036 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](CC)CC(F)(F)F ZINC000402760516 375376319 /nfs/dbraw/zinc/37/63/19/375376319.db2.gz YHJSZUGHBPETOL-NSHDSACASA-N 0 3 278.318 2.036 20 30 CEEDHN C=CCC[C@@H](O)CN1CCCC[C@@H]1c1ccnn1C ZINC000281529451 375385327 /nfs/dbraw/zinc/38/53/27/375385327.db2.gz WAIISDISSBFOPG-UKRRQHHQSA-N 0 3 263.385 2.274 20 30 CEEDHN COc1cc(CN(C)[C@H](CO)C(C)(C)C)ccc1C#N ZINC000282175522 375419798 /nfs/dbraw/zinc/41/97/98/375419798.db2.gz FINUEXKAMASXEB-OAHLLOKOSA-N 0 3 276.380 2.406 20 30 CEEDHN N#Cc1ccnc(N2CCN(CC3CCCCC3)CC2)n1 ZINC000408454646 375485673 /nfs/dbraw/zinc/48/56/73/375485673.db2.gz WHDHMKWPPYNCHM-UHFFFAOYSA-N 0 3 285.395 2.051 20 30 CEEDHN COC(=O)[C@]1(C)CN(Cc2cccc(C#N)c2)C[C@H]1C ZINC000282685704 375549397 /nfs/dbraw/zinc/54/93/97/375549397.db2.gz JXPAEFAGDFVGDP-MLGOLLRUSA-N 0 3 272.348 2.189 20 30 CEEDHN CCN1CCN(Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000286281675 375897183 /nfs/dbraw/zinc/89/71/83/375897183.db2.gz BTSXCGYJCKOZTH-CYBMUJFWSA-N 0 3 273.380 2.093 20 30 CEEDHN CCCN(C)CC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416342740 376049073 /nfs/dbraw/zinc/04/90/73/376049073.db2.gz QBILVFPMMYPWOJ-INIZCTEOSA-N 0 3 285.391 2.394 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)C(C)(C)C#N)CCN1Cc1ccccc1 ZINC000288013432 376361184 /nfs/dbraw/zinc/36/11/84/376361184.db2.gz BYNQMILYQARJHB-HIFRSBDPSA-N 0 3 285.391 2.315 20 30 CEEDHN C[C@@H]1CN(CCO)[C@@H](C)CN1CCCCC(C)(C)C#N ZINC000419325727 376441790 /nfs/dbraw/zinc/44/17/90/376441790.db2.gz BGGMINAAFFNVJJ-CABCVRRESA-N 0 3 281.444 2.093 20 30 CEEDHN COCCCCN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000419386801 376449796 /nfs/dbraw/zinc/44/97/96/376449796.db2.gz IUSJNVSIYUZGDQ-CQSZACIVSA-N 0 3 295.427 2.076 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCC1(C#N)CCC1 ZINC000419454991 376452737 /nfs/dbraw/zinc/45/27/37/376452737.db2.gz NNWAFGCTAOHJQI-OKILXGFUSA-N 0 3 292.427 2.242 20 30 CEEDHN C=CCOc1cccc(NC(=O)CNCC2CC2)c1 ZINC000262661100 190060186 /nfs/dbraw/zinc/06/01/86/190060186.db2.gz ZTZVYWHZUFHWRY-UHFFFAOYSA-N 0 3 260.337 2.190 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCCC[C@H]1[C@H](C)O ZINC000305728643 376460666 /nfs/dbraw/zinc/46/06/66/376460666.db2.gz MNNOFLSATAOEAO-WFASDCNBSA-N 0 3 274.364 2.302 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1cc(C(=O)OC)oc1C ZINC000556812460 376496333 /nfs/dbraw/zinc/49/63/33/376496333.db2.gz HKQKEDDZZQGELI-UHFFFAOYSA-N 0 3 294.395 2.314 20 30 CEEDHN CN(Cc1cnc2ccc(C#N)cn12)C[C@H]1CCCC[C@@H]1O ZINC000305810181 376502107 /nfs/dbraw/zinc/50/21/07/376502107.db2.gz HSRBMZAKTWFKEJ-ZBFHGGJFSA-N 0 3 298.390 2.189 20 30 CEEDHN C[C@@H](NC[C@@H](O)COCC1CC1)c1ccc(C#N)cc1F ZINC000305815403 376503324 /nfs/dbraw/zinc/50/33/24/376503324.db2.gz LUWYOVBOIFGQQH-BXUZGUMPSA-N 0 3 292.354 2.135 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C[C@](C)(O)C=C)C(C)C ZINC000290155391 376662103 /nfs/dbraw/zinc/66/21/03/376662103.db2.gz OBNLRSDEGMZMJC-DOTOQJQBSA-N 0 3 294.439 2.128 20 30 CEEDHN Cc1nccn1CCCN(C)Cc1ccc(C#N)o1 ZINC000290393733 376760323 /nfs/dbraw/zinc/76/03/23/376760323.db2.gz IYLHOWGXGMWJOK-UHFFFAOYSA-N 0 3 258.325 2.178 20 30 CEEDHN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1CCOCCC#N ZINC000420922809 376737702 /nfs/dbraw/zinc/73/77/02/376737702.db2.gz GGSOVVDQBNRLAN-ZIAGYGMSSA-N 0 3 296.411 2.359 20 30 CEEDHN CN(C)[C@@H]1CCCN(C(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000264638972 190124483 /nfs/dbraw/zinc/12/44/83/190124483.db2.gz YXOSKHFGJCBDFU-ROJDOSBLSA-N 0 3 283.375 2.124 20 30 CEEDHN COC1([C@@H](C)NCc2ccc(F)c(C#N)c2)CCOCC1 ZINC000421023103 376788941 /nfs/dbraw/zinc/78/89/41/376788941.db2.gz AUYIJKYDUXIYII-GFCCVEGCSA-N 0 3 292.354 2.371 20 30 CEEDHN CN(CCOCCC#N)C1CC(OC(C)(C)C)C1 ZINC000421020081 376790587 /nfs/dbraw/zinc/79/05/87/376790587.db2.gz YUEBTPBEFXUMAJ-UHFFFAOYSA-N 0 3 254.374 2.195 20 30 CEEDHN C[C@H]1CN(CCC#N)CCN(Cc2ccccc2)C1 ZINC000324037909 376839757 /nfs/dbraw/zinc/83/97/57/376839757.db2.gz RHSNVSDAGUTHCC-HNNXBMFYSA-N 0 3 257.381 2.354 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2ncoc2C2CC2)CCN1C ZINC000328823028 376904212 /nfs/dbraw/zinc/90/42/12/376904212.db2.gz GLSAKUYVRNKMBU-KOLCDFICSA-N 0 3 263.341 2.339 20 30 CEEDHN Cc1cc(COCC(=O)N[C@@H](C)C2=CCN(C)CC2)on1 ZINC000328746168 376891787 /nfs/dbraw/zinc/89/17/87/376891787.db2.gz POUXRRQPGAUPSQ-LBPRGKRZSA-N 0 3 293.367 2.107 20 30 CEEDHN O=C(NC1CCN(C2CC2)CC1)[C@H]1CCCC(=O)N1 ZINC000328772715 376894309 /nfs/dbraw/zinc/89/43/09/376894309.db2.gz DKNRJFCXGKSIGZ-GFCCVEGCSA-N 0 3 265.357 2.079 20 30 CEEDHN C=CCCCCN1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000562529369 376921941 /nfs/dbraw/zinc/92/19/41/376921941.db2.gz XCZGHAYNSXZAGA-OAHLLOKOSA-N 0 3 280.412 2.056 20 30 CEEDHN COc1cc(CN[C@@H](C)c2cnccc2N)ccc1C#N ZINC000423120134 377015235 /nfs/dbraw/zinc/01/52/35/377015235.db2.gz FQUUGNYKKMLGRJ-NSHDSACASA-N 0 3 282.347 2.225 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3cccnc23)CN1C1CC1 ZINC000329872266 377024008 /nfs/dbraw/zinc/02/40/08/377024008.db2.gz CZCOJGGNFBNKJW-GHMZBOCLSA-N 0 3 284.363 2.493 20 30 CEEDHN CO[C@]1(CNC(=O)[C@H]2CCCN2C2CCCC2)CCOC1 ZINC000329664051 376984856 /nfs/dbraw/zinc/98/48/56/376984856.db2.gz PJXAHUVDSXDNPW-ZBFHGGJFSA-N 0 3 296.411 2.155 20 30 CEEDHN CCN1CCC[C@H](NC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)C1 ZINC000329667826 376985136 /nfs/dbraw/zinc/98/51/36/376985136.db2.gz LPNHJUMXSHPFJR-SRVKXCTJSA-N 0 3 267.373 2.182 20 30 CEEDHN C#Cc1ccccc1CC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000290955446 377001144 /nfs/dbraw/zinc/00/11/44/377001144.db2.gz BPQXISCVOKBXHL-HNNXBMFYSA-N 0 3 284.403 2.011 20 30 CEEDHN C#CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000290969085 377007490 /nfs/dbraw/zinc/00/74/90/377007490.db2.gz IJZXXSOQSXMKLD-WBVHZDCISA-N 0 3 299.418 2.172 20 30 CEEDHN N#Cc1cnn2cc(CN3CCC[C@H]4CCC[C@@H]43)cnc12 ZINC000563154863 377109017 /nfs/dbraw/zinc/10/90/17/377109017.db2.gz YPWVYIXXDQWBTD-HIFRSBDPSA-N 0 3 281.363 2.365 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000330591426 377195727 /nfs/dbraw/zinc/19/57/27/377195727.db2.gz QWNNPJOZEIMJGV-QWHCGFSZSA-N 0 3 281.400 2.047 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1cccc(C#N)c1 ZINC000330962447 377215090 /nfs/dbraw/zinc/21/50/90/377215090.db2.gz AJXQSWDZAGLLJB-BETUJISGSA-N 0 3 271.364 2.047 20 30 CEEDHN C[C@]1(CO)CCC[C@H]1NCc1cc(C#N)ccc1F ZINC000331007405 377236035 /nfs/dbraw/zinc/23/60/35/377236035.db2.gz MCHKIHCBIBTMCO-HUUCEWRRSA-N 0 3 262.328 2.338 20 30 CEEDHN C#CCN(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000292482771 377249448 /nfs/dbraw/zinc/24/94/48/377249448.db2.gz QEAXPPPQRSXVBI-MRXNPFEDSA-N 0 3 285.391 2.098 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425109898 377330249 /nfs/dbraw/zinc/33/02/49/377330249.db2.gz UNWNFYBIBYNXSH-ZWKOPEQDSA-N 0 3 278.739 2.134 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NC1CCN(CCCOC)CC1 ZINC000424646947 377280891 /nfs/dbraw/zinc/28/08/91/377280891.db2.gz QOSZSMUGCQTMGD-UHFFFAOYSA-N 0 3 282.428 2.206 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)CCCN1CCOCC1 ZINC000425534462 377367852 /nfs/dbraw/zinc/36/78/52/377367852.db2.gz MCKLSSIFUDNVBO-OAHLLOKOSA-N 0 3 287.407 2.273 20 30 CEEDHN CCOCC[C@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425536905 377369955 /nfs/dbraw/zinc/36/99/55/377369955.db2.gz POFJPGSKPHSYPX-CJNGLKHVSA-N 0 3 276.380 2.339 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425730219 377380685 /nfs/dbraw/zinc/38/06/85/377380685.db2.gz YJRXYZVFOIIZSA-QLFBSQMISA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@H](CO)[C@H]1C ZINC000425995390 377391340 /nfs/dbraw/zinc/39/13/40/377391340.db2.gz UYOAJYBFLAYYGE-UKRRQHHQSA-N 0 3 261.365 2.454 20 30 CEEDHN C#CCOc1ccccc1CNC[C@H](O)[C@@H](C)CC ZINC000264901688 190143274 /nfs/dbraw/zinc/14/32/74/190143274.db2.gz ZIPYCBQMUTVDDO-ZFWWWQNUSA-N 0 3 261.365 2.195 20 30 CEEDHN Cc1c([C@H]2OCC[C@@H]2NCc2cccc(C#N)c2)cnn1C ZINC000332047861 377503253 /nfs/dbraw/zinc/50/32/53/377503253.db2.gz WILYCESHTOEXFU-DLBZAZTESA-N 0 3 296.374 2.220 20 30 CEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)NC(C)(C)CC ZINC000429711688 377520093 /nfs/dbraw/zinc/52/00/93/377520093.db2.gz AEXPYTCFVPKGEK-CQSZACIVSA-N 0 3 283.460 2.119 20 30 CEEDHN N#CCC1(CNCc2ccc(N3CCCC3)nc2)CC1 ZINC000430038125 377524625 /nfs/dbraw/zinc/52/46/25/377524625.db2.gz VDIBPBIRDMONDC-UHFFFAOYSA-N 0 3 270.380 2.465 20 30 CEEDHN CN(CCCNC(=O)C1CCC1)Cc1ccc(CC#N)cc1 ZINC000429545937 377516941 /nfs/dbraw/zinc/51/69/41/377516941.db2.gz AIWHVSCDHWGNEW-UHFFFAOYSA-N 0 3 299.418 2.491 20 30 CEEDHN C=CCc1cc(CN2CC[C@H](O)C[C@@H]2C)cc(OC)c1O ZINC000430146946 377526409 /nfs/dbraw/zinc/52/64/09/377526409.db2.gz KEJWXZDVOLNQDU-WFASDCNBSA-N 0 3 291.391 2.475 20 30 CEEDHN CCC[C@@H](CNCc1ccc(C#N)c(OC)c1)OC ZINC000293538798 377615791 /nfs/dbraw/zinc/61/57/91/377615791.db2.gz ALHYKRSSMDGSJU-AWEZNQCLSA-N 0 3 262.353 2.472 20 30 CEEDHN C[C@@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000265801369 190208272 /nfs/dbraw/zinc/20/82/72/190208272.db2.gz BXSCHULKAOJPQP-KGLIPLIRSA-N 0 3 285.391 2.295 20 30 CEEDHN CN1CCN(CC#Cc2ccc(F)cc2)CC1(C)C ZINC000565824555 377700550 /nfs/dbraw/zinc/70/05/50/377700550.db2.gz KNYQZLYVYHZKCT-UHFFFAOYSA-N 0 3 260.356 2.203 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000432098947 377714192 /nfs/dbraw/zinc/71/41/92/377714192.db2.gz OMZYUYPUQZWWIB-JSGCOSHPSA-N 0 3 279.428 2.371 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000566134257 377734552 /nfs/dbraw/zinc/73/45/52/377734552.db2.gz GKKPXWICRQZENJ-QKPAOTATSA-N 0 3 279.343 2.155 20 30 CEEDHN CC(F)(F)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000567190799 377814004 /nfs/dbraw/zinc/81/40/04/377814004.db2.gz AXLDSJGLBJUXLS-LBPRGKRZSA-N 0 3 277.274 2.012 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000333593708 377795504 /nfs/dbraw/zinc/79/55/04/377795504.db2.gz TXRZVMZBSZSEIW-PBHICJAKSA-N 0 3 289.423 2.451 20 30 CEEDHN CC(C#N)C(=O)NCc1nccn1CCCc1ccccc1 ZINC000434377224 377798209 /nfs/dbraw/zinc/79/82/09/377798209.db2.gz LWHPFALQLGDFRN-AWEZNQCLSA-N 0 3 296.374 2.292 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCc1ccc(Cl)s1 ZINC000294032416 377878230 /nfs/dbraw/zinc/87/82/30/377878230.db2.gz RRXAHWJLYNFSGZ-UHFFFAOYSA-N 0 3 298.839 2.405 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000437464665 377843359 /nfs/dbraw/zinc/84/33/59/377843359.db2.gz CJVJFWWQACRYGR-ZDSQKVDBSA-N 0 3 264.275 2.487 20 30 CEEDHN COC[C@@]1(C)CCN(Cc2ccc(C#N)s2)C1 ZINC000294690569 378011181 /nfs/dbraw/zinc/01/11/81/378011181.db2.gz BTAODMJYRPFBJF-ZDUSSCGKSA-N 0 3 250.367 2.478 20 30 CEEDHN C#CCN(C)CCCN[C@H](C)c1cc(C(=O)OC)cs1 ZINC000294916841 378028057 /nfs/dbraw/zinc/02/80/57/378028057.db2.gz GPGZEPLIFQRFJI-GFCCVEGCSA-N 0 3 294.420 2.140 20 30 CEEDHN C#CCOc1ccc(CN[C@H](CC)[C@H](O)C(F)F)cc1 ZINC000295064146 378038097 /nfs/dbraw/zinc/03/80/97/378038097.db2.gz OPDWOCQJOZWKDA-KGLIPLIRSA-N 0 3 283.318 2.193 20 30 CEEDHN C#CCN(C)CCC[NH2+][C@H](CC)c1ccccc1[O-] ZINC000295105034 378041463 /nfs/dbraw/zinc/04/14/63/378041463.db2.gz WNXFEYXLLOOFAX-OAHLLOKOSA-N 0 3 260.381 2.388 20 30 CEEDHN CC(C)[C@@H]1CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000446727016 378086396 /nfs/dbraw/zinc/08/63/96/378086396.db2.gz TUGKMCVDECIFLW-IIAWOOMASA-N 0 3 279.428 2.407 20 30 CEEDHN C[C@H](N[C@@H]1CCOC1(C)C)C(=O)Nc1ccccc1C#N ZINC000295234027 378064146 /nfs/dbraw/zinc/06/41/46/378064146.db2.gz OPRAFXNYVFKGMA-SMDDNHRTSA-N 0 3 287.363 2.042 20 30 CEEDHN C=CC[C@H]1N(C(=O)C(C)S(C)(=O)=O)CCCC1(C)C ZINC000443872297 378074613 /nfs/dbraw/zinc/07/46/13/378074613.db2.gz ZQNAWLIIJBJWSI-VXGBXAGGSA-N 0 3 287.425 2.013 20 30 CEEDHN Cc1ccc2c(CCNC(=O)C(C)C#N)cn(C)c2c1 ZINC000444520391 378076853 /nfs/dbraw/zinc/07/68/53/378076853.db2.gz BHABYQVISOLPJG-GFCCVEGCSA-N 0 3 269.348 2.305 20 30 CEEDHN N#CCSCCCN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444717934 378078033 /nfs/dbraw/zinc/07/80/33/378078033.db2.gz JNAZTVDNOXSTCP-MNOVXSKESA-N 0 3 296.358 2.268 20 30 CEEDHN CC(C)[C@H]1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000444774349 378080790 /nfs/dbraw/zinc/08/07/90/378080790.db2.gz VXYKQOVVOZMYAQ-HOCLYGCPSA-N 0 3 279.428 2.409 20 30 CEEDHN CC(C)[C@@H](C(=O)NCC1CCC(C#N)CC1)N(C)C ZINC000442981245 378024681 /nfs/dbraw/zinc/02/46/81/378024681.db2.gz IUYPAQSJWFPNTD-RUXDESIVSA-N 0 3 265.401 2.019 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000295404975 378142401 /nfs/dbraw/zinc/14/24/01/378142401.db2.gz RXNNTKXUWGUMND-ZDUSSCGKSA-N 0 3 297.402 2.423 20 30 CEEDHN C=CCN(CCC(=O)Nc1ccc(C)cn1)C1CC1 ZINC000447310553 378102424 /nfs/dbraw/zinc/10/24/24/378102424.db2.gz YWDQOWIIBKLMAC-UHFFFAOYSA-N 0 3 259.353 2.369 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@]1(C#N)C[C@@H]1C)C(C)C ZINC000448977562 378195770 /nfs/dbraw/zinc/19/57/70/378195770.db2.gz YUIUIXRHCKDFIJ-UXLLHSPISA-N 0 3 289.423 2.351 20 30 CEEDHN C=C[C@@H](CO)NCc1cc2ccccc2c(OC)c1 ZINC000449330328 378203401 /nfs/dbraw/zinc/20/34/01/378203401.db2.gz SWKROSYXBBPEFB-AWEZNQCLSA-N 0 3 257.333 2.485 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN[C@@H](CO)[C@@H]1CCCO1 ZINC000447908728 378156833 /nfs/dbraw/zinc/15/68/33/378156833.db2.gz VIYHMOSOYINVDS-HOTGVXAUSA-N 0 3 288.391 2.117 20 30 CEEDHN C=CCC1(C(=O)NCCCN2CCC(O)CC2)CCCC1 ZINC000449934393 378246940 /nfs/dbraw/zinc/24/69/40/378246940.db2.gz JPTBONLGZICBCP-UHFFFAOYSA-N 0 3 294.439 2.086 20 30 CEEDHN C[C@@H](CO)[C@H](C)NCc1ccc(Cl)cc1C#N ZINC000295843504 378327165 /nfs/dbraw/zinc/32/71/65/378327165.db2.gz XBLMGORKGKHOPF-UWVGGRQHSA-N 0 3 252.745 2.318 20 30 CEEDHN C=CCNC(=O)CNc1ccnc2ccc(CCC)cc21 ZINC000450427608 378409913 /nfs/dbraw/zinc/40/99/13/378409913.db2.gz STDCAKNGGHHODU-UHFFFAOYSA-N 0 3 283.375 2.323 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000296324800 378491959 /nfs/dbraw/zinc/49/19/59/378491959.db2.gz QKRSPMAMSRJMSC-NUEKZKHPSA-N 0 3 286.375 2.470 20 30 CEEDHN N#Cc1ccc(CNC[C@H](CCO)c2ccccc2)o1 ZINC000266123201 190232576 /nfs/dbraw/zinc/23/25/76/190232576.db2.gz ANAKDAVSVSQZID-AWEZNQCLSA-N 0 3 270.332 2.407 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)[C@]2(C#N)CC23CCCC3)CCCN1C ZINC000450793207 378582919 /nfs/dbraw/zinc/58/29/19/378582919.db2.gz KZSGCEGAHGFJHC-DVOMOZLQSA-N 0 3 275.396 2.059 20 30 CEEDHN C#Cc1ccc(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000296681466 378616359 /nfs/dbraw/zinc/61/63/59/378616359.db2.gz PRONPLHDVJIMBR-AWEZNQCLSA-N 0 3 297.402 2.118 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCc2ccccc2[C@@H]1C ZINC000297022401 378661602 /nfs/dbraw/zinc/66/16/02/378661602.db2.gz VHHXCNCUZIETAU-HNNXBMFYSA-N 0 3 299.418 2.270 20 30 CEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)(F)F ZINC000452865092 378733211 /nfs/dbraw/zinc/73/32/11/378733211.db2.gz MFDKEBYKLYVZNP-GWCFXTLKSA-N 0 3 291.301 2.400 20 30 CEEDHN CC[C@@H](NCC(=O)NCC1CC1)c1ccc(C#N)cc1 ZINC000278810165 194164503 /nfs/dbraw/zinc/16/45/03/194164503.db2.gz RVAFAWQQBHHERY-OAHLLOKOSA-N 0 3 271.364 2.125 20 30 CEEDHN C[C@@H](CNc1nccnc1C#N)N(C)Cc1ccccc1 ZINC000301224595 379225374 /nfs/dbraw/zinc/22/53/74/379225374.db2.gz AYHGESMSNVMFNZ-ZDUSSCGKSA-N 0 3 281.363 2.281 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2CCC[C@H]3CCC[C@H]32)cc1 ZINC000266543022 190265572 /nfs/dbraw/zinc/26/55/72/190265572.db2.gz QTGCHMSEFMLMBH-IAGOWNOFSA-N 0 3 297.402 2.439 20 30 CEEDHN CC(=O)NCC[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000347632490 218298446 /nfs/dbraw/zinc/29/84/46/218298446.db2.gz CRUPGHOICWXGSI-OAHLLOKOSA-N 0 3 285.391 2.296 20 30 CEEDHN Cc1cc(C)c(C#N)c(NC[C@]2(N(C)C)CCSC2)n1 ZINC000267040428 190299044 /nfs/dbraw/zinc/29/90/44/190299044.db2.gz COFOFFBNQPZEQK-OAHLLOKOSA-N 0 3 290.436 2.419 20 30 CEEDHN C=CCCC(=O)N(CCN(C)C)Cc1ccco1 ZINC000268006281 190368971 /nfs/dbraw/zinc/36/89/71/190368971.db2.gz OIFQGAQXYIPJBX-UHFFFAOYSA-N 0 3 250.342 2.136 20 30 CEEDHN CN(C)Cc1ccccc1C(=O)N1CCC(F)(C#N)CC1 ZINC000487956732 380089953 /nfs/dbraw/zinc/08/99/53/380089953.db2.gz XTMWCOSYUFPRAF-UHFFFAOYSA-N 0 3 289.354 2.216 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000485955464 380081015 /nfs/dbraw/zinc/08/10/15/380081015.db2.gz VWIWMTJHGOQQES-RBSFLKMASA-N 0 3 282.428 2.060 20 30 CEEDHN CS[C@H]1CN(Cc2ccc(C#N)c(C)c2)C[C@@H]1N(C)C ZINC000488163251 380091967 /nfs/dbraw/zinc/09/19/67/380091967.db2.gz OPYMTENYFMHNEQ-HOTGVXAUSA-N 0 3 289.448 2.344 20 30 CEEDHN CC(C)(CCC#N)CN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000529672053 380183483 /nfs/dbraw/zinc/18/34/83/380183483.db2.gz AUAMVJQDUQYVOE-FHSNZYRGSA-N 0 3 268.426 2.302 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)C1 ZINC000333941741 380186486 /nfs/dbraw/zinc/18/64/86/380186486.db2.gz PGUSZXRMDXDRII-MMTVNHQJSA-N 0 3 283.375 2.288 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532127269 380210838 /nfs/dbraw/zinc/21/08/38/380210838.db2.gz OZHRCPLXTWQZIE-VXGBXAGGSA-N 0 3 280.368 2.116 20 30 CEEDHN Cc1csc(C(C#N)C(=O)Nc2nc(C)c(C)o2)n1 ZINC000536252690 380223979 /nfs/dbraw/zinc/22/39/79/380223979.db2.gz JZPNGLKWSRKMGX-SECBINFHSA-N 0 3 276.321 2.302 20 30 CEEDHN C#C[C@H](NC(=O)/C=C\CN(C)C)c1ccc(Cl)cc1 ZINC000491474178 380323856 /nfs/dbraw/zinc/32/38/56/380323856.db2.gz KPPVLFRHKLTQHP-GXMNPTEKSA-N 0 3 276.767 2.248 20 30 CEEDHN C=C(C)CN(CC)C(=O)CCN(C)c1ccncc1 ZINC000543716477 380338767 /nfs/dbraw/zinc/33/87/67/380338767.db2.gz PKILRZQORXGIGJ-UHFFFAOYSA-N 0 3 261.369 2.333 20 30 CEEDHN N#Cc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)o1 ZINC000334452064 380432456 /nfs/dbraw/zinc/43/24/56/380432456.db2.gz XKJWIWQDVXPVIO-UHFFFAOYSA-N 0 3 287.363 2.242 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@](C)(F)C2)CC1 ZINC000334504796 380500558 /nfs/dbraw/zinc/50/05/58/380500558.db2.gz JISFZBLQIWLGFZ-HNNXBMFYSA-N 0 3 283.391 2.170 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)c2cscc2C#N)CCN1C ZINC000334482948 380476166 /nfs/dbraw/zinc/47/61/66/380476166.db2.gz XLMJUALBCJHLDX-ZYHUDNBSSA-N 0 3 277.393 2.174 20 30 CEEDHN C[C@H](NC(=O)/C=C\c1cccc(C#N)c1)C1=CCN(C)CC1 ZINC000492405621 380542641 /nfs/dbraw/zinc/54/26/41/380542641.db2.gz DEBICACUVBRPQJ-AFNCTOJWSA-N 0 3 295.386 2.338 20 30 CEEDHN C=CC[C@@H](CO)CNCc1nc(CCC)cs1 ZINC000494193301 381153658 /nfs/dbraw/zinc/15/36/58/381153658.db2.gz YCSAPOVSRQYTGI-LLVKDONJSA-N 0 3 254.399 2.370 20 30 CEEDHN C#CCCCN(C)CCN(C)C(=O)OC(C)(C)C ZINC000494051583 381154414 /nfs/dbraw/zinc/15/44/14/381154414.db2.gz APPUCCYOBOZNAQ-UHFFFAOYSA-N 0 3 254.374 2.199 20 30 CEEDHN CC#CCN1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494957998 381163425 /nfs/dbraw/zinc/16/34/25/381163425.db2.gz WPGCNXUPVWEGRV-QWHCGFSZSA-N 0 3 266.385 2.245 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)CCN1C ZINC000334796342 207090274 /nfs/dbraw/zinc/09/02/74/207090274.db2.gz JFZJOHUEJXYDCW-GWCFXTLKSA-N 0 3 291.782 2.424 20 30 CEEDHN C=CCOCCN(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495790775 381185968 /nfs/dbraw/zinc/18/59/68/381185968.db2.gz AVJNCQVEHPQYIX-CYBMUJFWSA-N 0 3 284.400 2.130 20 30 CEEDHN CC(C)(C)OC(=O)N[C@H]1CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000496316367 381209283 /nfs/dbraw/zinc/20/92/83/381209283.db2.gz ZJVXNCHTQBMPIR-AVGNSLFASA-N 0 3 279.384 2.278 20 30 CEEDHN C#CCCN1CC[C@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495281171 381168997 /nfs/dbraw/zinc/16/89/97/381168997.db2.gz KAYWIUJVOIGUIX-KBPBESRZSA-N 0 3 296.411 2.014 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@@H](COC(N)=O)Cc2ccccc2)C1 ZINC000496679526 381223795 /nfs/dbraw/zinc/22/37/95/381223795.db2.gz MFUURWFTQFUATJ-QLFBSQMISA-N 0 3 287.363 2.389 20 30 CEEDHN C[C@H]1C[C@H](C=Nn2cnnc2)CCN1C(=O)OC(C)(C)C ZINC000497027427 381238368 /nfs/dbraw/zinc/23/83/68/381238368.db2.gz SCGWKMUSLYJHII-NWDGAFQWSA-N 0 3 293.371 2.148 20 30 CEEDHN COc1ccccc1[C@@H]1CCN(C(=O)C(C)C#N)C1 ZINC000336002438 532987781 /nfs/dbraw/zinc/98/77/81/532987781.db2.gz WXTVGLGSCJFGGL-VXGBXAGGSA-N 0 3 258.321 2.171 20 30 CEEDHN C[C@H](NCCC1(O)CCOCC1)c1ccc(C#N)cc1F ZINC000353871874 220379354 /nfs/dbraw/zinc/37/93/54/220379354.db2.gz UMHBSSLHYSSSCD-LBPRGKRZSA-N 0 3 292.354 2.280 20 30 CEEDHN CC(C#N)C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000347031634 533115557 /nfs/dbraw/zinc/11/55/57/533115557.db2.gz FELBLYPFKOJXBE-LBPRGKRZSA-N 0 3 294.358 2.137 20 30 CEEDHN C[C@@H]1[C@H](Nc2cnc(C#N)cn2)CCN1Cc1ccccc1 ZINC000288092226 197001982 /nfs/dbraw/zinc/00/19/82/197001982.db2.gz ADWPPGVLECZAEA-CZUORRHYSA-N 0 3 293.374 2.423 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000497272639 262129867 /nfs/dbraw/zinc/12/98/67/262129867.db2.gz SGMFCFDCSTWJDR-IJLUTSLNSA-N 0 3 295.383 2.050 20 30 CEEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)C2(C#N)CC(C)C2)C[C@@H](C)C1 ZINC000575111110 335066641 /nfs/dbraw/zinc/06/66/41/335066641.db2.gz BDXQZZQRYJUFHJ-IIQDSTNVSA-N 0 3 289.423 2.115 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC[C@H](CCO)CC1 ZINC000421011770 394461321 /nfs/dbraw/zinc/46/13/21/394461321.db2.gz HKKHZXTWSMXPHD-HNNXBMFYSA-N 0 3 288.391 2.422 20 30 CEEDHN C[C@H](NCCc1cccc(C#N)c1)c1cnccn1 ZINC000355675372 394497506 /nfs/dbraw/zinc/49/75/06/394497506.db2.gz RPXGUOABTWWHAF-LBPRGKRZSA-N 0 3 252.321 2.242 20 30 CEEDHN C[C@@H]1C[C@H](Nc2ncc(C#N)cc2F)CN1C1CC1 ZINC000413188513 394501157 /nfs/dbraw/zinc/50/11/57/394501157.db2.gz UWKHDVHBTNTVFL-KOLCDFICSA-N 0 3 260.316 2.129 20 30 CEEDHN CCN1CCC[C@@H]1CNc1nc2c(cc1C#N)CCC2 ZINC000044347050 394505651 /nfs/dbraw/zinc/50/56/51/394505651.db2.gz GVJHECCBRKIFSF-CQSZACIVSA-N 0 3 270.380 2.338 20 30 CEEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000305775920 394511698 /nfs/dbraw/zinc/51/16/98/394511698.db2.gz OBBOSPVURRSGIZ-YPMHNXCESA-N 0 3 263.337 2.393 20 30 CEEDHN CCC[C@]1(NC(=O)NC2CCN(C3CC3)CC2)CCOC1 ZINC000329427420 394563180 /nfs/dbraw/zinc/56/31/80/394563180.db2.gz HIGHNNWSBXICLO-INIZCTEOSA-N 0 3 295.427 2.076 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2snnc2C2CC2)CCN1C ZINC000329521896 394569997 /nfs/dbraw/zinc/56/99/97/394569997.db2.gz PCXCYTPNELVUSF-PSASIEDQSA-N 0 3 280.397 2.203 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCC(=O)N2)CCN1C ZINC000329549365 394571424 /nfs/dbraw/zinc/57/14/24/394571424.db2.gz IZFTVBNEIWUPML-GRYCIOLGSA-N 0 3 267.373 2.325 20 30 CEEDHN CN(C)CCN(C)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000356288320 394574460 /nfs/dbraw/zinc/57/44/60/394574460.db2.gz VIBMXKPRPGTVQB-OAHLLOKOSA-N 0 3 273.380 2.094 20 30 CEEDHN CCCCNC(=O)[C@H]1CC[C@H](C)N(CCCC#N)C1 ZINC000066473475 394576621 /nfs/dbraw/zinc/57/66/21/394576621.db2.gz QYXQNSCPTLPYGG-KBPBESRZSA-N 0 3 265.401 2.307 20 30 CEEDHN CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)CCS1 ZINC000329743189 394582800 /nfs/dbraw/zinc/58/28/00/394582800.db2.gz XBDXICJWBJIUFD-GHMZBOCLSA-N 0 3 294.424 2.008 20 30 CEEDHN CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)CCS1 ZINC000329743189 394582802 /nfs/dbraw/zinc/58/28/02/394582802.db2.gz XBDXICJWBJIUFD-GHMZBOCLSA-N 0 3 294.424 2.008 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)/C=C\c1cccc(C#N)c1 ZINC000255624511 394585447 /nfs/dbraw/zinc/58/54/47/394585447.db2.gz NHQQYIHMPPSMCA-XZVRFQMRSA-N 0 3 297.402 2.372 20 30 CEEDHN Cc1cc(C)c(C#N)c(N2CC[C@H](N3CCCC3)C2)n1 ZINC000071138543 394588032 /nfs/dbraw/zinc/58/80/32/394588032.db2.gz PGSCECUBLQJBRZ-AWEZNQCLSA-N 0 3 270.380 2.245 20 30 CEEDHN N#Cc1cccc(Cl)c1N1CCN2CCC[C@H]2C1 ZINC000247157898 394527245 /nfs/dbraw/zinc/52/72/45/394527245.db2.gz QITGMHZURRYLOB-LBPRGKRZSA-N 0 3 261.756 2.496 20 30 CEEDHN CC(C)(CN1CCCC1)NC(=O)c1cccc(C#N)c1 ZINC000308708222 394530760 /nfs/dbraw/zinc/53/07/60/394530760.db2.gz QIJCXSJNYISXSP-UHFFFAOYSA-N 0 3 271.364 2.162 20 30 CEEDHN C[C@H](CNC(=O)Cc1ccnn1C)N1CCC(C)CC1 ZINC000329886512 394592031 /nfs/dbraw/zinc/59/20/31/394592031.db2.gz WFDBHLWRLXJCJT-CYBMUJFWSA-N 0 3 278.400 2.040 20 30 CEEDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1csc(=O)[nH]1 ZINC000329954912 394597931 /nfs/dbraw/zinc/59/79/31/394597931.db2.gz 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BZWORVWGLADRJY-MFKMUULPSA-N 0 3 278.787 2.383 20 30 CEEDHN N#CCc1ccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1 ZINC000334437468 394685643 /nfs/dbraw/zinc/68/56/43/394685643.db2.gz IHEVJXLJFSEPMJ-QGZVFWFLSA-N 0 3 297.402 2.453 20 30 CEEDHN CCN(CCC#N)C(=O)c1ccc(CN(C)C)cc1 ZINC000267887102 394685800 /nfs/dbraw/zinc/68/58/00/394685800.db2.gz TYSBLPMOJQWBRC-UHFFFAOYSA-N 0 3 259.353 2.124 20 30 CEEDHN C[C@H]1C[C@@H](Nc2nc3c(cc2C#N)CCC3)CN1C1CC1 ZINC000267845018 394686014 /nfs/dbraw/zinc/68/60/14/394686014.db2.gz CILXSHGEWBPDRQ-SMDDNHRTSA-N 0 3 282.391 2.479 20 30 CEEDHN N#Cc1cc(F)c(N2CCN3CCC[C@@H]3C2)c(F)c1 ZINC000096474816 394693033 /nfs/dbraw/zinc/69/30/33/394693033.db2.gz YBSLACOTPHKSCJ-LLVKDONJSA-N 0 3 263.291 2.121 20 30 CEEDHN CC[C@H](C(=O)Nc1cc(C)n(CCC#N)n1)N(CC)CC ZINC000271062697 394746669 /nfs/dbraw/zinc/74/66/69/394746669.db2.gz LUFJESQCYKMXEC-CYBMUJFWSA-N 0 3 291.399 2.164 20 30 CEEDHN C=C(C)CCNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000334788579 394711082 /nfs/dbraw/zinc/71/10/82/394711082.db2.gz 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/nfs/dbraw/zinc/92/66/09/394926609.db2.gz HETFTBXABGXMRG-MRXNPFEDSA-N 0 3 296.374 2.095 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@@]23CCOC3)cc1 ZINC000367048874 394956285 /nfs/dbraw/zinc/95/62/85/394956285.db2.gz ZXZJHAVXOSNEPE-KRWDZBQOSA-N 0 3 271.360 2.454 20 30 CEEDHN C[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(C#N)cc1 ZINC000283935873 394939095 /nfs/dbraw/zinc/93/90/95/394939095.db2.gz CUZRBVRSZLLYTI-TZMCWYRMSA-N 0 3 292.404 2.034 20 30 CEEDHN CC[C@@H](NCCOCCC#N)c1c(C)noc1C ZINC000339085636 394941871 /nfs/dbraw/zinc/94/18/71/394941871.db2.gz SCMWXKLHPKIXQO-GFCCVEGCSA-N 0 3 251.330 2.262 20 30 CEEDHN C=CCOCCN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000339200028 394950777 /nfs/dbraw/zinc/95/07/77/394950777.db2.gz GBEIJYDTGWSRDH-KGLIPLIRSA-N 0 3 251.370 2.223 20 30 CEEDHN C[C@H](C#N)CN(C)C(=O)CCN1CCc2ccccc2C1 ZINC000416129534 395018436 /nfs/dbraw/zinc/01/84/36/395018436.db2.gz GVHBQCVRFSURNX-CQSZACIVSA-N 0 3 285.391 2.053 20 30 CEEDHN COc1ccc(CN2CCC[C@H](c3nnc[nH]3)C2)cc1C#N ZINC000370873138 395019524 /nfs/dbraw/zinc/01/95/24/395019524.db2.gz NVRBSGAAROTJRL-ZDUSSCGKSA-N 0 3 297.362 2.065 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2ccnc(OC(F)F)c2)C1 ZINC000342805445 395022759 /nfs/dbraw/zinc/02/27/59/395022759.db2.gz GYQMYXMBWSZLQN-KOLCDFICSA-N 0 3 267.279 2.465 20 30 CEEDHN C=CCCOCCCCC(=O)N1CCC[C@@H]1CN(C)C ZINC000342828450 395023281 /nfs/dbraw/zinc/02/32/81/395023281.db2.gz DHONGJRKBLPSFM-OAHLLOKOSA-N 0 3 282.428 2.302 20 30 CEEDHN C=C(C)[C@@H](CC(=O)NCCN1CCC(C)CC1)OCC ZINC000339420884 394958788 /nfs/dbraw/zinc/95/87/88/394958788.db2.gz HFWSXGHMPBGGIL-OAHLLOKOSA-N 0 3 282.428 2.206 20 30 CEEDHN C=C(C)[C@H](CC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)OCC ZINC000339440805 394960948 /nfs/dbraw/zinc/96/09/48/394960948.db2.gz JIUDFARXCILTSQ-GUTXKFCHSA-N 0 3 280.412 2.099 20 30 CEEDHN C#CCOc1ccc(CNCCC(C)(C)C(=O)OC)cc1 ZINC000285592231 394961309 /nfs/dbraw/zinc/96/13/09/394961309.db2.gz URBYRCROZXKPRU-UHFFFAOYSA-N 0 3 289.375 2.378 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000372833158 395047343 /nfs/dbraw/zinc/04/73/43/395047343.db2.gz YRKJHTLBAHSSPT-CYBMUJFWSA-N 0 3 266.385 2.341 20 30 CEEDHN CC#CCN1CCCN(c2ccc(OC)cc2)CC1 ZINC000159452124 395058317 /nfs/dbraw/zinc/05/83/17/395058317.db2.gz MULFPWQBKSDADS-UHFFFAOYSA-N 0 3 258.365 2.231 20 30 CEEDHN C=CCCCCCN1CCC[C@]2(CNC(=O)O2)C1 ZINC000373293374 395058876 /nfs/dbraw/zinc/05/88/76/395058876.db2.gz STNDLRRTFBLPRL-AWEZNQCLSA-N 0 3 252.358 2.307 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N(C)CC1CCCCC1 ZINC000345724104 395074344 /nfs/dbraw/zinc/07/43/44/395074344.db2.gz OJKDUHUBDZKFSU-CYBMUJFWSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H]1CCC[C@H]1C(=O)NC ZINC000345826849 395078980 /nfs/dbraw/zinc/07/89/80/395078980.db2.gz QNQAWIZAPFKFNE-HUUCEWRRSA-N 0 3 288.391 2.256 20 30 CEEDHN CC(C)c1ccc(OCCNC(=O)C(C)C#N)cc1 ZINC000345824021 395079064 /nfs/dbraw/zinc/07/90/64/395079064.db2.gz ZNXUGSMPRSJTFY-LBPRGKRZSA-N 0 3 260.337 2.465 20 30 CEEDHN N#Cc1ccc(C(=O)Nc2cccc3c2CNCC3)cc1 ZINC000167354470 395087984 /nfs/dbraw/zinc/08/79/84/395087984.db2.gz XBWFQQMVIFKTER-UHFFFAOYSA-N 0 3 277.327 2.456 20 30 CEEDHN C[C@@H](CN1CCCCC1)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000167495289 395088091 /nfs/dbraw/zinc/08/80/91/395088091.db2.gz BAIXYLDPJSNCDJ-NSHDSACASA-N 0 3 289.339 2.148 20 30 CEEDHN CC#CCCCC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346247734 395092591 /nfs/dbraw/zinc/09/25/91/395092591.db2.gz WEHCTRCRALRSRR-BZUAXINKSA-N 0 3 276.424 2.369 20 30 CEEDHN CC[C@]1(C)CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346314136 395094581 /nfs/dbraw/zinc/09/45/81/395094581.db2.gz YJKCASNDSZQSJF-DZGCQCFKSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CCCOCCCCC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000346330807 395095526 /nfs/dbraw/zinc/09/55/26/395095526.db2.gz SYECIZCWQHSMDL-QGZVFWFLSA-N 0 3 294.439 2.304 20 30 CEEDHN C=CCN1CCC(NC(=O)c2sccc2OC)CC1 ZINC000171716335 395097191 /nfs/dbraw/zinc/09/71/91/395097191.db2.gz XFWRPVPJVZSOED-UHFFFAOYSA-N 0 3 280.393 2.137 20 30 CEEDHN N#CCCCCN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000171715179 395097484 /nfs/dbraw/zinc/09/74/84/395097484.db2.gz USAIXYPHBFQGSE-OAHLLOKOSA-N 0 3 289.354 2.429 20 30 CEEDHN CC#CCCN1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000156556348 395032639 /nfs/dbraw/zinc/03/26/39/395032639.db2.gz CXNJNHYEOSKQFL-HNNXBMFYSA-N 0 3 285.391 2.454 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C3CC3)C2)CC1 ZINC000372310895 395039812 /nfs/dbraw/zinc/03/98/12/395039812.db2.gz GJPIMKUVKXTKKF-HNNXBMFYSA-N 0 3 291.439 2.468 20 30 CEEDHN Cc1ccc([C@H](C)NCC(=O)NC2(C#N)CCC2)cc1 ZINC000347005285 395116312 /nfs/dbraw/zinc/11/63/12/395116312.db2.gz DVXUSINMDSXJMZ-ZDUSSCGKSA-N 0 3 271.364 2.208 20 30 CEEDHN CC(C)[C@@H](CNC(=O)[C@H](C)C#N)N1CCc2ccccc2C1 ZINC000347034331 395117578 /nfs/dbraw/zinc/11/75/78/395117578.db2.gz IRQVGNIYUSAGOU-RHSMWYFYSA-N 0 3 299.418 2.345 20 30 CEEDHN Cc1ccc(NC(=O)[C@H]2CCCN(CCCC#N)C2)nc1 ZINC000174604228 395126083 /nfs/dbraw/zinc/12/60/83/395126083.db2.gz WJFXHCRMQCOWFZ-AWEZNQCLSA-N 0 3 286.379 2.344 20 30 CEEDHN CC(=O)NCCc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000346799915 395108693 /nfs/dbraw/zinc/10/86/93/395108693.db2.gz AOONVQHHUGWYLX-CYBMUJFWSA-N 0 3 273.380 2.320 20 30 CEEDHN C=CCOCCCN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000348183210 395137104 /nfs/dbraw/zinc/13/71/04/395137104.db2.gz SWAKFUVXYLLBTP-RYUDHWBXSA-N 0 3 281.318 2.214 20 30 CEEDHN CC(C)N(C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000292001172 395182054 /nfs/dbraw/zinc/18/20/54/395182054.db2.gz XJEWGCHCBQUKDR-HZPDHXFCSA-N 0 3 274.364 2.091 20 30 CEEDHN CCc1ccc(C#CC(=O)N(C)CCN(C)C2CC2)cc1 ZINC000293373197 395230715 /nfs/dbraw/zinc/23/07/15/395230715.db2.gz CQVOVNGXBBLRNC-UHFFFAOYSA-N 0 3 284.403 2.153 20 30 CEEDHN C=CCOCCN1CCC(NC(=O)c2ccsc2)CC1 ZINC000293445285 395234356 /nfs/dbraw/zinc/23/43/56/395234356.db2.gz KHEONBCDQQCPER-UHFFFAOYSA-N 0 3 294.420 2.145 20 30 CEEDHN Cc1ccc([C@H](C)NCCC(=O)N(C)CCC#N)cc1 ZINC000182346258 395240912 /nfs/dbraw/zinc/24/09/12/395240912.db2.gz NOWZDFCBZCZJGL-AWEZNQCLSA-N 0 3 273.380 2.408 20 30 CEEDHN C[C@H](CS(=O)(=O)c1ccccc1)NCCCCC#N ZINC000183269322 395254822 /nfs/dbraw/zinc/25/48/22/395254822.db2.gz LBIBCCYKMXWIRX-CYBMUJFWSA-N 0 3 280.393 2.132 20 30 CEEDHN N#Cc1cncc(NC[C@H]2CCN2C2CCCCC2)n1 ZINC000528119053 395285543 /nfs/dbraw/zinc/28/55/43/395285543.db2.gz TZESLGIXSXFLQV-CQSZACIVSA-N 0 3 271.368 2.167 20 30 CEEDHN COCCO[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000186314585 395289245 /nfs/dbraw/zinc/28/92/45/395289245.db2.gz CUJWLWRMUKBSGP-QGZVFWFLSA-N 0 3 288.391 2.494 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCCC[C@@H](C)C1 ZINC000187963768 395310104 /nfs/dbraw/zinc/31/01/04/395310104.db2.gz AGIZQHMIOJISBL-HIFRSBDPSA-N 0 3 265.401 2.163 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1sccc1SC ZINC000293856297 395255067 /nfs/dbraw/zinc/25/50/67/395255067.db2.gz ATWZHUFXRWPFED-UHFFFAOYSA-N 0 3 282.434 2.155 20 30 CEEDHN CC#CCCN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000352468224 395257153 /nfs/dbraw/zinc/25/71/53/395257153.db2.gz PSMBCVXGPRUOST-LBPRGKRZSA-N 0 3 290.329 2.180 20 30 CEEDHN C=C[C@H](CO)NCc1cccc(OCc2ccccn2)c1 ZINC000352478932 395258212 /nfs/dbraw/zinc/25/82/12/395258212.db2.gz BUMMHJLDDJCASB-OAHLLOKOSA-N 0 3 284.359 2.297 20 30 CEEDHN CCCC(=O)NC[C@@H]1CCCN([C@H](C)CCC#N)C1 ZINC000411227482 395323650 /nfs/dbraw/zinc/32/36/50/395323650.db2.gz PGIPGRIDBZSQTD-KGLIPLIRSA-N 0 3 265.401 2.307 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2C(N)=O)c(Cl)c1 ZINC000439430595 395265214 /nfs/dbraw/zinc/26/52/14/395265214.db2.gz MKHSWNRXTSBFNB-OCCSQVGLSA-N 0 3 291.782 2.345 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000412380434 395357846 /nfs/dbraw/zinc/35/78/46/395357846.db2.gz QZRATJRYNNOPBN-ZQNQSHIBSA-N 0 3 280.412 2.098 20 30 CEEDHN C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412567338 395361211 /nfs/dbraw/zinc/36/12/11/395361211.db2.gz CNZHTQWBEDZMPO-MEBBXXQBSA-N 0 3 275.327 2.376 20 30 CEEDHN COc1ccc(CNCc2cc(C#N)n(C)c2)cc1OC ZINC000189577648 395329703 /nfs/dbraw/zinc/32/97/03/395329703.db2.gz VHRBLXCALDTAMQ-UHFFFAOYSA-N 0 3 285.347 2.204 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)NCCN1CCCC[C@@H]1CC ZINC000354378886 395330128 /nfs/dbraw/zinc/33/01/28/395330128.db2.gz DFEDQZJONCSYSD-GJZGRUSLSA-N 0 3 282.428 2.348 20 30 CEEDHN Cc1cc(F)ccc1C(=O)C(C#N)c1ccncn1 ZINC000354458587 395334100 /nfs/dbraw/zinc/33/41/00/395334100.db2.gz BXHPPTBOGDUZSY-GFCCVEGCSA-N 0 3 255.252 2.414 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1nccn1C(C)C ZINC000411642253 395334206 /nfs/dbraw/zinc/33/42/06/395334206.db2.gz MOIQXDMZVOVSBB-UHFFFAOYSA-N 0 3 264.417 2.404 20 30 CEEDHN COc1cc(CNCCN2CC=C(C)CC2)ccc1C#N ZINC000440619285 395335654 /nfs/dbraw/zinc/33/56/54/395335654.db2.gz CAKVTQHRSFOHOU-UHFFFAOYSA-N 0 3 285.391 2.308 20 30 CEEDHN C[C@@H](CCC#N)N1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000411691181 395335888 /nfs/dbraw/zinc/33/58/88/395335888.db2.gz NBWZAWZHYNMCJG-NWDGAFQWSA-N 0 3 277.372 2.007 20 30 CEEDHN Cc1c(Cl)cnc(N(C)C[C@H]2CCCN2C)c1C#N ZINC000420637514 395397088 /nfs/dbraw/zinc/39/70/88/395397088.db2.gz OTWIBEPQSLUGPT-LLVKDONJSA-N 0 3 278.787 2.446 20 30 CEEDHN C=CCN(C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC000412232635 395351788 /nfs/dbraw/zinc/35/17/88/395351788.db2.gz SFBVORLDCUILTC-AVGNSLFASA-N 0 3 250.386 2.425 20 30 CEEDHN CC(C)(C)[C@@H]1CCCN1CC(=O)N(CCC#N)CCC#N ZINC000355347385 395417180 /nfs/dbraw/zinc/41/71/80/395417180.db2.gz VKQGLLIUYUEWAG-AWEZNQCLSA-N 0 3 290.411 2.153 20 30 CEEDHN C=CCc1cc(CN(C)C2CC(O)C2)cc(OC)c1O ZINC000355368321 395424294 /nfs/dbraw/zinc/42/42/94/395424294.db2.gz PUEDLHITBBHRKT-UHFFFAOYSA-N 0 3 277.364 2.084 20 30 CEEDHN CC(C)[C@@H]1CN(C)CCN1Cc1ccc(C#N)cc1F ZINC000355374358 395427565 /nfs/dbraw/zinc/42/75/65/395427565.db2.gz VWVDNODQBMGVIK-INIZCTEOSA-N 0 3 275.371 2.469 20 30 CEEDHN CCOC1CC(O)(CN[C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000447566411 395505525 /nfs/dbraw/zinc/50/55/25/395505525.db2.gz STNQZQYLRWONSM-WJFWJRBTSA-N 0 3 292.354 2.278 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000448699686 395531769 /nfs/dbraw/zinc/53/17/69/395531769.db2.gz VAPGATGZMCNIKO-NEPJUHHUSA-N 0 3 288.395 2.188 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C)cc(CN)c1 ZINC000567675908 395535007 /nfs/dbraw/zinc/53/50/07/395535007.db2.gz UFEYSXSODZGOJI-ZFWWWQNUSA-N 0 3 289.379 2.166 20 30 CEEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)nc1 ZINC000573503559 395610047 /nfs/dbraw/zinc/61/00/47/395610047.db2.gz OATHJANIBCPNAM-GVDBMIGSSA-N 0 3 285.391 2.469 20 30 CEEDHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1 ZINC000449515440 395552446 /nfs/dbraw/zinc/55/24/46/395552446.db2.gz ZEOJADPLEFIXOY-CABCVRRESA-N 0 3 272.348 2.380 20 30 CEEDHN CO[C@@H]([C@H](C)NCc1cnc2ccc(C#N)cn12)C1CC1 ZINC000449631184 395557811 /nfs/dbraw/zinc/55/78/11/395557811.db2.gz OIQXKWOQBKDEJW-ZBEGNZNMSA-N 0 3 284.363 2.109 20 30 CEEDHN C=CCn1cc(CN[C@@H](C)CCc2ccco2)nn1 ZINC000568500206 395562868 /nfs/dbraw/zinc/56/28/68/395562868.db2.gz REYOZRQUAZPTOB-LBPRGKRZSA-N 0 3 260.341 2.168 20 30 CEEDHN N#Cc1ccc(Cl)cc1NC[C@@H]1CCCN1CCCO ZINC000450593984 395573254 /nfs/dbraw/zinc/57/32/54/395573254.db2.gz JTZWVFPZMXDWET-AWEZNQCLSA-N 0 3 293.798 2.470 20 30 CEEDHN N#Cc1cnn2cc(CNCCCc3cccs3)cnc12 ZINC000569222099 395575320 /nfs/dbraw/zinc/57/53/20/395575320.db2.gz MOBXXLPRJHXNBA-UHFFFAOYSA-N 0 3 297.387 2.385 20 30 CEEDHN COCCN(C)CC[C@H](NCCC#N)c1ccccc1 ZINC000569332223 395577010 /nfs/dbraw/zinc/57/70/10/395577010.db2.gz HCIMNXRCWPNVTC-INIZCTEOSA-N 0 3 275.396 2.199 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](O)CC(F)(F)F)s1 ZINC000574393806 395629116 /nfs/dbraw/zinc/62/91/16/395629116.db2.gz XHCXAPDXEZUTDO-ZETCQYMHSA-N 0 3 264.272 2.023 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2cc(C#N)ccc2OC)[C@H](C)C1 ZINC000459487122 395666113 /nfs/dbraw/zinc/66/61/13/395666113.db2.gz VOKMIJCWEBTYEW-ZIAGYGMSSA-N 0 3 287.407 2.481 20 30 CEEDHN CC(C)[C@H]1CN(c2ccc(F)cc2C#N)CCN1C ZINC000487107742 395667107 /nfs/dbraw/zinc/66/71/07/395667107.db2.gz JOQDETYFPKXRIL-OAHLLOKOSA-N 0 3 261.344 2.474 20 30 CEEDHN C#CCN(CCOCC(F)(F)C(F)F)C1CC1 ZINC000491407514 395669382 /nfs/dbraw/zinc/66/93/82/395669382.db2.gz RKUCGUNNPSEIKJ-UHFFFAOYSA-N 0 3 253.239 2.001 20 30 CEEDHN CN(C)C1(CNC(=O)/C=C\c2cccc(C#N)c2)CCC1 ZINC000491956546 395670882 /nfs/dbraw/zinc/67/08/82/395670882.db2.gz BCKSZXFJLDUCFQ-FPLPWBNLSA-N 0 3 283.375 2.172 20 30 CEEDHN C=C(C)[C@@H](CO)N1CC=C(c2ccc(O)cc2)CC1 ZINC000649230907 396097177 /nfs/dbraw/zinc/09/71/77/396097177.db2.gz ZVJJZKSDRXPVIP-MRXNPFEDSA-N 0 3 259.349 2.418 20 30 CEEDHN C=C(C)[C@H](CO)N(C)C[C@H]1CN(CC)c2ccccc2O1 ZINC000649233054 396097825 /nfs/dbraw/zinc/09/78/25/396097825.db2.gz JJJKTXJLFBWEBS-HOCLYGCPSA-N 0 3 290.407 2.143 20 30 CEEDHN C=C(C)[C@@H](CO)N(C)Cc1ccc(OC)c(OC)c1 ZINC000649238066 396099157 /nfs/dbraw/zinc/09/91/57/396099157.db2.gz WNYREVUKOWULIP-CYBMUJFWSA-N 0 3 265.353 2.073 20 30 CEEDHN C=CCC[C@H](O)CN1C[C@@H](C)OC2(CCCC2)C1 ZINC000646134306 396300890 /nfs/dbraw/zinc/30/08/90/396300890.db2.gz WYCIEJROCGXVFD-KGLIPLIRSA-N 0 3 253.386 2.347 20 30 CEEDHN COC[C@H]1CCCCN1CCOc1cccc(C#N)c1 ZINC000307768121 400340407 /nfs/dbraw/zinc/34/04/07/400340407.db2.gz TURZYNXQIVKLPA-OAHLLOKOSA-N 0 3 274.364 2.438 20 30 CEEDHN C=CCCCCN1CCN(CCOC)CC1(C)C ZINC000649850837 400724898 /nfs/dbraw/zinc/72/48/98/400724898.db2.gz CBLOQWXAZABEGV-UHFFFAOYSA-N 0 3 254.418 2.385 20 30 CEEDHN CCN1CCC(NC(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000359927274 155170212 /nfs/dbraw/zinc/17/02/12/155170212.db2.gz XEBWWTUBLULWRB-ZDUSSCGKSA-N 0 3 285.391 2.262 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCCC(F)(F)C2)CC1 ZINC000650852829 401192676 /nfs/dbraw/zinc/19/26/76/401192676.db2.gz SOEIIMPLSYWQRW-UHFFFAOYSA-N 0 3 287.354 2.078 20 30 CEEDHN C[C@@H](C(=O)N[C@@H]1CCN(C2CC2)C1)c1cccc(C#N)c1 ZINC000360033273 155198818 /nfs/dbraw/zinc/19/88/18/155198818.db2.gz OQVOSLYFXWRXHV-IUODEOHRSA-N 0 3 283.375 2.015 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cnnn1-c1ccccc1 ZINC000651792724 401392502 /nfs/dbraw/zinc/39/25/02/401392502.db2.gz DAWUUKIKTIXXRW-YOEHRIQHSA-N 0 3 298.390 2.338 20 30 CEEDHN COC[C@H](C)CN(C)Cc1cc(C#N)ccc1F ZINC000310951901 289279221 /nfs/dbraw/zinc/27/92/21/289279221.db2.gz MJNRCIASCZHFMF-LLVKDONJSA-N 0 3 250.317 2.412 20 30 CEEDHN CCO[C@@H]1C[C@@](CO)(NCCC(C)(C)C#N)C1(C)C ZINC000347186143 286304035 /nfs/dbraw/zinc/30/40/35/286304035.db2.gz DABDFABFQHVYDV-DOMZBBRYSA-N 0 3 268.401 2.082 20 30 CEEDHN CN(Cc1ccc(C#N)c(F)c1)C[C@H]1CCC[C@@H]1O ZINC000192130651 153202154 /nfs/dbraw/zinc/20/21/54/153202154.db2.gz KJLUNGVQAYGMLH-HIFRSBDPSA-N 0 3 262.328 2.290 20 30 CEEDHN CN(Cc1ccc(C#N)c(F)c1)C[C@@H]1CCC[C@@H]1O ZINC000192130644 153204604 /nfs/dbraw/zinc/20/46/04/153204604.db2.gz KJLUNGVQAYGMLH-ZFWWWQNUSA-N 0 3 262.328 2.290 20 30 CEEDHN CO[C@@H]1CN(CCOc2cccc(C#N)c2)CC[C@@H]1C ZINC000221124044 153305719 /nfs/dbraw/zinc/30/57/19/153305719.db2.gz SJNBQNJWPHTHBG-XJKSGUPXSA-N 0 3 274.364 2.294 20 30 CEEDHN CCc1nnc(N[C@@H]2CCN(C)[C@@H](C)C2)c(C#N)c1CC ZINC000226702383 153337559 /nfs/dbraw/zinc/33/75/59/153337559.db2.gz QJBVPSQMFPPHKW-NWDGAFQWSA-N 0 3 287.411 2.368 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@H](CO)C[C@H]1C ZINC000344188469 154276888 /nfs/dbraw/zinc/27/68/88/154276888.db2.gz WFFICUAMQIJMFW-OCCSQVGLSA-N 0 3 274.364 2.160 20 30 CEEDHN C[C@@H]1CN2CCCC[C@H]2CN1C[C@H](O)c1ccc(C#N)cc1 ZINC000363634379 156036154 /nfs/dbraw/zinc/03/61/54/156036154.db2.gz CWJRLIYKFSGGNK-JLSDUUJJSA-N 0 3 299.418 2.150 20 30 CEEDHN COc1cc(CN[C@H]2CCc3nc(C)cn3C2)ccc1C#N ZINC000366929240 156103976 /nfs/dbraw/zinc/10/39/76/156103976.db2.gz HTLWOUIZDLRLAF-HNNXBMFYSA-N 0 3 296.374 2.176 20 30 CEEDHN Cc1cccnc1C1(CNCc2cc(C#N)n(C)c2)CC1 ZINC000368268623 156311004 /nfs/dbraw/zinc/31/10/04/156311004.db2.gz YNSPYXJBAOZXCE-UHFFFAOYSA-N 0 3 280.375 2.422 20 30 CEEDHN C[C@@H]1CC[C@H](N[C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000351291007 296735830 /nfs/dbraw/zinc/73/58/30/296735830.db2.gz QOPITJSLFAMPGO-AVRGHOLYSA-N 0 3 285.391 2.499 20 30 CEEDHN C[C@@H](NCC1([S@](C)=O)CC1)c1cccc(C#N)c1 ZINC000282473279 287019622 /nfs/dbraw/zinc/01/96/22/287019622.db2.gz WKQJQKDAARJUID-ZMZPIMSZSA-N 0 3 262.378 2.120 20 30 CEEDHN N#Cc1ccc(CN2CCC(c3ncc[nH]3)CC2)nc1 ZINC000559290049 298616017 /nfs/dbraw/zinc/61/60/17/298616017.db2.gz CSTCTSVDHQAVSW-UHFFFAOYSA-N 0 3 267.336 2.056 20 30 CEEDHN CN(C)CCN(C(=O)c1ccc(Cl)c(C#N)c1)C1CC1 ZINC000561532028 298674655 /nfs/dbraw/zinc/67/46/55/298674655.db2.gz DFLISRNJAMVSHO-UHFFFAOYSA-N 0 3 291.782 2.378 20 30 CEEDHN CCc1oc2ccccc2c1CNCCn1cnc(C#N)n1 ZINC000285457890 196290005 /nfs/dbraw/zinc/29/00/05/196290005.db2.gz JQCNGJWPACRDFI-UHFFFAOYSA-N 0 3 295.346 2.248 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662858600 414776357 /nfs/dbraw/zinc/77/63/57/414776357.db2.gz ZTEPECQGXLOQJS-ZDUSSCGKSA-N 0 3 262.397 2.476 20 30 CEEDHN C=C(C)[C@@H](CO)N1C[C@H](C)OC2(CCCCC2)C1 ZINC000653903759 414784812 /nfs/dbraw/zinc/78/48/12/414784812.db2.gz ISWAMFWBFAQVNK-UONOGXRCSA-N 0 3 253.386 2.347 20 30 CEEDHN C=C[C@@H]1CCCCN1CCN1C[C@H](C)O[C@@H](C)C1 ZINC000660429412 414815585 /nfs/dbraw/zinc/81/55/85/414815585.db2.gz LUCMQCZKGOBYFM-SOUVJXGZSA-N 0 3 252.402 2.136 20 30 CEEDHN C=CCCOCCNCc1cc(C(F)(F)F)nn1C ZINC000657418865 414923609 /nfs/dbraw/zinc/92/36/09/414923609.db2.gz NIHTUBMACMKEDQ-UHFFFAOYSA-N 0 3 277.290 2.121 20 30 CEEDHN C=CCOCCCNC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000660611389 414895948 /nfs/dbraw/zinc/89/59/48/414895948.db2.gz JBFVDLQTANSFJN-GASCZTMLSA-N 0 3 297.443 2.141 20 30 CEEDHN C=CCCn1cc(CNC[C@@H]2CC23CCSCC3)nn1 ZINC000657493544 414971034 /nfs/dbraw/zinc/97/10/34/414971034.db2.gz DPZXYPASUHSQRQ-ZDUSSCGKSA-N 0 3 292.452 2.477 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000660842532 415002502 /nfs/dbraw/zinc/00/25/02/415002502.db2.gz WVDMMAPTTMKIMY-YUELXQCFSA-N 0 3 275.396 2.116 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cscn2)CC1 ZINC000660708146 414944178 /nfs/dbraw/zinc/94/41/78/414944178.db2.gz VZXLHMLCMDIHNU-NSHDSACASA-N 0 3 294.424 2.154 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660717887 414945839 /nfs/dbraw/zinc/94/58/39/414945839.db2.gz MEXVHRLEYRDZIQ-MRXNPFEDSA-N 0 3 290.411 2.275 20 30 CEEDHN C=CCCn1cc(CN[C@@H](C(C)C)C2(CO)CCC2)nn1 ZINC000653705592 415079434 /nfs/dbraw/zinc/07/94/34/415079434.db2.gz AQKBHJJVCFKNDN-HNNXBMFYSA-N 0 3 292.427 2.131 20 30 CEEDHN C=CCC1(NCc2cccc(OC)n2)CCOCC1 ZINC000657632942 415031518 /nfs/dbraw/zinc/03/15/18/415031518.db2.gz DGBHRPPPHYEYPP-UHFFFAOYSA-N 0 3 262.353 2.305 20 30 CEEDHN C=CCOCCCNCc1cn(-c2ccncc2)nc1C ZINC000657657910 415037872 /nfs/dbraw/zinc/03/78/72/415037872.db2.gz FVQAZXNHCJOPRQ-UHFFFAOYSA-N 0 3 286.379 2.258 20 30 CEEDHN C=CCN(C[C@@H](O)Cc1ccc(F)cc1)[C@@H](C)COC ZINC000661239528 415151668 /nfs/dbraw/zinc/15/16/68/415151668.db2.gz HRVBMXFSWLPXGI-BBRMVZONSA-N 0 3 281.371 2.252 20 30 CEEDHN C=CCN(C[C@H](O)COc1cccc(C)c1)[C@H](C)COC ZINC000661247802 415157466 /nfs/dbraw/zinc/15/74/66/415157466.db2.gz REAGBENDXAFNOX-CVEARBPZSA-N 0 3 293.407 2.258 20 30 CEEDHN CC#CCCN1CCC(Oc2ncc(C)cn2)CC1 ZINC000653800237 415110306 /nfs/dbraw/zinc/11/03/06/415110306.db2.gz JDNJHYWXZQEPLJ-UHFFFAOYSA-N 0 3 259.353 2.042 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000664810256 415483199 /nfs/dbraw/zinc/48/31/99/415483199.db2.gz MVQDLBFZRXKIGR-QWHCGFSZSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1NCC1(C)C ZINC000659329153 415519169 /nfs/dbraw/zinc/51/91/69/415519169.db2.gz LWLUEVJRXDTOSQ-FRRDWIJNSA-N 0 3 250.386 2.236 20 30 CEEDHN C=CCN1CC[C@H](N2CCC[C@H]([C@H]3CCCCO3)C2)C1=O ZINC000661877181 415519517 /nfs/dbraw/zinc/51/95/17/415519517.db2.gz WQCKUANVMDQDQJ-HRCADAONSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCCC1(CNC(=O)COC2(C)CNC2)CCCC1 ZINC000659335167 415526699 /nfs/dbraw/zinc/52/66/99/415526699.db2.gz UXIDUIRPSDGKKH-UHFFFAOYSA-N 0 3 280.412 2.008 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@@H]1CCN(CCC)C1 ZINC000661950471 415534712 /nfs/dbraw/zinc/53/47/12/415534712.db2.gz AJSZWEMCROQYSV-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(CCC)C1 ZINC000661950365 415535927 /nfs/dbraw/zinc/53/59/27/415535927.db2.gz YCXHRPINFMGJBY-KFWWJZLASA-N 0 3 277.412 2.363 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665368390 415715524 /nfs/dbraw/zinc/71/55/24/415715524.db2.gz PKLXKRFTSOXZTR-CYBMUJFWSA-N 0 3 265.401 2.243 20 30 CEEDHN COc1cccc([C@@H](CNc2nccnc2C#N)N(C)C)c1 ZINC000072067659 176311954 /nfs/dbraw/zinc/31/19/54/176311954.db2.gz YCXFRRPMQAQREG-OAHLLOKOSA-N 0 3 297.362 2.072 20 30 CEEDHN CCC#C[C@H](C)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000656860541 415890760 /nfs/dbraw/zinc/89/07/60/415890760.db2.gz JKFUACHRHKHDBK-DZGCQCFKSA-N 0 3 251.370 2.058 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](OC)C1 ZINC000077279170 177248139 /nfs/dbraw/zinc/24/81/39/177248139.db2.gz SWCHKCPUCSFIJB-CQSZACIVSA-N 0 3 290.363 2.056 20 30 CEEDHN CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2)C1 ZINC000077457289 177271109 /nfs/dbraw/zinc/27/11/09/177271109.db2.gz NOZIAYXVXRFHND-LSDHHAIUSA-N 0 3 292.404 2.004 20 30 CEEDHN C[C@H](C(=O)N1CCC(C)CC1)N1CCC(CC#N)CC1 ZINC000336507415 227077827 /nfs/dbraw/zinc/07/78/27/227077827.db2.gz HPNNJZBBJQKLPG-CQSZACIVSA-N 0 3 277.412 2.259 20 30 CEEDHN O=C(NCCC1(O)CCC1)C1CCN(C2CC2)CC1 ZINC000329104540 227300020 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/nfs/dbraw/zinc/17/33/02/260173302.db2.gz FWKPXPAZRONHSQ-CYBMUJFWSA-N 0 3 290.432 2.141 20 30 CEEDHN Cc1csc(NC(=O)NC[C@@H]2CCCN(C)C2)c1C#N ZINC000516935440 260303200 /nfs/dbraw/zinc/30/32/00/260303200.db2.gz YNXPBBRPRSQXCI-NSHDSACASA-N 0 3 292.408 2.392 20 30 CEEDHN N#CCCN(CCN1CCCCC1)Cc1ccccn1 ZINC000081160216 260331585 /nfs/dbraw/zinc/33/15/85/260331585.db2.gz CSPPINATSQVBHQ-UHFFFAOYSA-N 0 3 272.396 2.283 20 30 CEEDHN CC#CCCO/N=C/c1ccc(N2CCOCC2)cc1 ZINC000154839356 261095280 /nfs/dbraw/zinc/09/52/80/261095280.db2.gz BNXUCRLGYMZEMF-SAPNQHFASA-N 0 3 272.348 2.287 20 30 CEEDHN C#C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C(C)C ZINC000490637786 261176082 /nfs/dbraw/zinc/17/60/82/261176082.db2.gz STLLLXGXZWQPHH-OAHLLOKOSA-N 0 3 258.365 2.136 20 30 CEEDHN C#CCN1CCC(C(=O)NC(C)(C)C(C)(C)C)CC1 ZINC000491220958 261376761 /nfs/dbraw/zinc/37/67/61/261376761.db2.gz RUJIFMJRAMHKKR-UHFFFAOYSA-N 0 3 264.413 2.273 20 30 CEEDHN C[C@@H](NCCc1cncn1C)c1ccc(C#N)cc1F ZINC000530354877 269842540 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262299214 /nfs/dbraw/zinc/29/92/14/262299214.db2.gz AIXMSKAAHBKQDD-INIZCTEOSA-N 0 3 272.348 2.252 20 30 CEEDHN COC[C@H]1CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000354046712 262358214 /nfs/dbraw/zinc/35/82/14/262358214.db2.gz FOAACXMRMDRGBD-HUUCEWRRSA-N 0 3 272.348 2.006 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000335143564 262366021 /nfs/dbraw/zinc/36/60/21/262366021.db2.gz XOWRSDMLNMDGES-DGCLKSJQSA-N 0 3 260.312 2.376 20 30 CEEDHN CC(C#N)C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000354084404 262374957 /nfs/dbraw/zinc/37/49/57/262374957.db2.gz VJVUHVPUOKCSPD-SNVBAGLBSA-N 0 3 268.320 2.147 20 30 CEEDHN C#CCOc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000163217898 262393687 /nfs/dbraw/zinc/39/36/87/262393687.db2.gz LIVWWQYGTIOGFI-MRXNPFEDSA-N 0 3 298.386 2.009 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)[C@H]1C[C@H]1c1ccccc1 ZINC000338780577 262560473 /nfs/dbraw/zinc/56/04/73/262560473.db2.gz ZBCLWMMSERTBFQ-YUELXQCFSA-N 0 3 258.365 2.070 20 30 CEEDHN CC(C)(C)NC(=[NH2+])NCc1c([O-])ccc2c1CCCC2 ZINC000267425463 262929847 /nfs/dbraw/zinc/92/98/47/262929847.db2.gz LHGRWJLYMZWGDS-UHFFFAOYSA-N 0 3 275.396 2.474 20 30 CEEDHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000271931173 263000428 /nfs/dbraw/zinc/00/04/28/263000428.db2.gz JODUJVJTPOOGMM-INIZCTEOSA-N 0 3 297.402 2.408 20 30 CEEDHN N#CCC[C@H](NC1CCN(C=O)CC1)c1ccccc1 ZINC000278722273 263050274 /nfs/dbraw/zinc/05/02/74/263050274.db2.gz MFYXJCGJYHLVOU-INIZCTEOSA-N 0 3 271.364 2.242 20 30 CEEDHN C[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279947802 263058260 /nfs/dbraw/zinc/05/82/60/263058260.db2.gz LYFLRHXCANJOMT-BBRMVZONSA-N 0 3 281.359 2.499 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCSC2)cc1 ZINC000280200373 263059650 /nfs/dbraw/zinc/05/96/50/263059650.db2.gz ZLPXNMHLFSINKE-GJZGRUSLSA-N 0 3 299.399 2.110 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC=CCC2)cc1 ZINC000280455400 263062009 /nfs/dbraw/zinc/06/20/09/263062009.db2.gz NZBRROFXBNNQNM-CVEARBPZSA-N 0 3 279.343 2.465 20 30 CEEDHN CCOCCN(CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280615658 263063471 /nfs/dbraw/zinc/06/34/71/263063471.db2.gz XXUKGDUYJYTBJR-MRXNPFEDSA-N 0 3 299.374 2.126 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC=C(F)C2)cc1 ZINC000281498755 263069503 /nfs/dbraw/zinc/06/95/03/263069503.db2.gz IAHLQETYRLLKPD-CQSZACIVSA-N 0 3 283.306 2.326 20 30 CEEDHN C#CCCN1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366600897 263069777 /nfs/dbraw/zinc/06/97/77/263069777.db2.gz PALRBOFQYBIGRB-KBPBESRZSA-N 0 3 278.396 2.341 20 30 CEEDHN Cn1cc2c(n1)CCC[C@@H]2N[C@@H]1CCC[C@H](C#N)C1 ZINC000282582374 263077673 /nfs/dbraw/zinc/07/76/73/263077673.db2.gz ZSWLFGPXSQMWKS-SCRDCRAPSA-N 0 3 258.369 2.469 20 30 CEEDHN CN(C(=O)c1ccc(CC#N)cc1)[C@H]1CCN(C2CC2)C1 ZINC000340147949 263078276 /nfs/dbraw/zinc/07/82/76/263078276.db2.gz NAGXKJQNKKBQRI-INIZCTEOSA-N 0 3 283.375 2.061 20 30 CEEDHN Cn1cc(CNCC2(CC#N)CC2)c(-c2cccnc2)n1 ZINC000366624435 263078906 /nfs/dbraw/zinc/07/89/06/263078906.db2.gz AWMWAKFEDJEQOB-UHFFFAOYSA-N 0 3 281.363 2.266 20 30 CEEDHN C#CCCNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000369543326 263086202 /nfs/dbraw/zinc/08/62/02/263086202.db2.gz DXQSFFYXDPMZMK-GXTWGEPZSA-N 0 3 291.420 2.063 20 30 CEEDHN CN(CCC#N)CCCN1CCN(c2ccccc2)CC1 ZINC000285360898 263092555 /nfs/dbraw/zinc/09/25/55/263092555.db2.gz ABXTXUGSAMCTFI-UHFFFAOYSA-N 0 3 286.423 2.044 20 30 CEEDHN N#CCCCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292069979 263127977 /nfs/dbraw/zinc/12/79/77/263127977.db2.gz CPOUGCDPCWHYAT-AWEZNQCLSA-N 0 3 270.336 2.100 20 30 CEEDHN C[C@H](c1ccccc1)[C@H](NCCC(C)(C)C#N)C(N)=O ZINC000292161015 263129189 /nfs/dbraw/zinc/12/91/89/263129189.db2.gz KYYVGCYKBHKWCA-OCCSQVGLSA-N 0 3 273.380 2.173 20 30 CEEDHN C[C@H]1[C@H](NC(=O)CCCC#N)CCN1Cc1ccccc1 ZINC000292431630 263132077 /nfs/dbraw/zinc/13/20/77/263132077.db2.gz USEYVKDNMCSMNL-GOEBONIOSA-N 0 3 285.391 2.459 20 30 CEEDHN COc1ccccc1[C@H]1CCN(CCOCCC#N)C1 ZINC000293139532 263138078 /nfs/dbraw/zinc/13/80/78/263138078.db2.gz QIQJNCOBYSKKJT-AWEZNQCLSA-N 0 3 274.364 2.415 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CC[C@@](CO)(c3ccccc3)C2)C1 ZINC000293621761 263144877 /nfs/dbraw/zinc/14/48/77/263144877.db2.gz QLZKFSBGLCSNQR-HYVNUMGLSA-N 0 3 270.376 2.315 20 30 CEEDHN CSc1ccc([C@@H](CNC(=O)CC#N)N(C)C)cc1 ZINC000295057957 263171465 /nfs/dbraw/zinc/17/14/65/263171465.db2.gz YERXSULMISRKNE-CYBMUJFWSA-N 0 3 277.393 2.041 20 30 CEEDHN C[C@@H]1CN(C(=O)c2cccc(CC#N)c2)CCN(C2CC2)C1 ZINC000295454470 263177630 /nfs/dbraw/zinc/17/76/30/263177630.db2.gz WWNGCVBSCRVTJX-AWEZNQCLSA-N 0 3 297.402 2.309 20 30 CEEDHN CC[C@H]1CCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000297945722 263212953 /nfs/dbraw/zinc/21/29/53/263212953.db2.gz ULEUVJRQUPTGMF-GJZGRUSLSA-N 0 3 267.332 2.251 20 30 CEEDHN CC(C)N1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000298374624 263218634 /nfs/dbraw/zinc/21/86/34/263218634.db2.gz ADMFBOVVBSESCT-UHFFFAOYSA-N 0 3 273.380 2.115 20 30 CEEDHN C[C@@H](CCC#N)N1CC[C@@H](OCc2ccncc2)C1 ZINC000298524912 263221102 /nfs/dbraw/zinc/22/11/02/263221102.db2.gz LTFDDHNPSMMLDO-DZGCQCFKSA-N 0 3 259.353 2.365 20 30 CEEDHN C=CCN(CC[C@@H]1CCOC1=O)Cc1cccc(C#N)c1 ZINC000120286181 263282783 /nfs/dbraw/zinc/28/27/83/263282783.db2.gz DRQHIRIDAIWBHF-MRXNPFEDSA-N 0 3 284.359 2.499 20 30 CEEDHN C=CC[C@H](CO)CNCc1cnc2ccc(Cl)cn12 ZINC000341275566 263329948 /nfs/dbraw/zinc/32/99/48/263329948.db2.gz PRPMKPWNOJRKCQ-NSHDSACASA-N 0 3 279.771 2.262 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000341461208 263336411 /nfs/dbraw/zinc/33/64/11/263336411.db2.gz ITZRQTAWZDONIZ-ZIAGYGMSSA-N 0 3 267.417 2.324 20 30 CEEDHN C=C(CC)CN[C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000341793653 263349520 /nfs/dbraw/zinc/34/95/20/263349520.db2.gz XZXBRTXADONKQD-LBPRGKRZSA-N 0 3 282.409 2.212 20 30 CEEDHN C=CC[C@H](CO)CN[C@H](C)c1cnn(C(C)C)c1 ZINC000341871088 263360524 /nfs/dbraw/zinc/36/05/24/263360524.db2.gz COWKNDWOZZAKSY-OLZOCXBDSA-N 0 3 251.374 2.299 20 30 CEEDHN COCC1(C#N)CCN(CC2(O)CCC(C)CC2)CC1 ZINC000342001368 263375209 /nfs/dbraw/zinc/37/52/09/263375209.db2.gz ZPZSRNFZYAVTNY-UHFFFAOYSA-N 0 3 280.412 2.180 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000342047610 263383315 /nfs/dbraw/zinc/38/33/15/263383315.db2.gz LNHPTOOCOMKAOR-CQSZACIVSA-N 0 3 282.428 2.158 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000342050719 263384069 /nfs/dbraw/zinc/38/40/69/263384069.db2.gz RBNRGKRJXFAZSI-UONOGXRCSA-N 0 3 252.402 2.389 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000342190569 263397693 /nfs/dbraw/zinc/39/76/93/263397693.db2.gz REQHEWZCJLKGTF-GXTWGEPZSA-N 0 3 265.401 2.077 20 30 CEEDHN Cc1c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)nnn1C(C)C ZINC000328924310 263903520 /nfs/dbraw/zinc/90/35/20/263903520.db2.gz VJXSBLGOQMSLOL-ZYHUDNBSSA-N 0 3 291.399 2.097 20 30 CEEDHN C[C@H](NC(=O)c1csc(=O)[n-]1)C(C)(C)C[NH+](C)C ZINC000331009191 264107210 /nfs/dbraw/zinc/10/72/10/264107210.db2.gz RGUAOENXRFPZBJ-QMMMGPOBSA-N 0 3 271.386 2.130 20 30 CEEDHN CCCC(=O)NC[C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000331275616 264170610 /nfs/dbraw/zinc/17/06/10/264170610.db2.gz 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YEZXLZUCSMFVDO-QQFBHYJXSA-N 0 3 256.349 2.137 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCCNC1=O ZINC000518908524 265209048 /nfs/dbraw/zinc/20/90/48/265209048.db2.gz FUOSDSCFCOGDDM-HOTGVXAUSA-N 0 3 283.375 2.194 20 30 CEEDHN CC#CCNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000367169577 266044215 /nfs/dbraw/zinc/04/42/15/266044215.db2.gz AWTDHAMKGOHKEM-GXTWGEPZSA-N 0 3 291.420 2.063 20 30 CEEDHN C=CCCC1(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000356355041 266100013 /nfs/dbraw/zinc/10/00/13/266100013.db2.gz NASUAQCRYWQWLE-GXTWGEPZSA-N 0 3 262.397 2.332 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](C)C2(CCC2)C1 ZINC000357029657 266235591 /nfs/dbraw/zinc/23/55/91/266235591.db2.gz WBCYPWIIMWOXNI-STQMWFEESA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCOc1ccc(CNC(=O)N[C@H](C)CN(C)C)cc1 ZINC000357157216 266256200 /nfs/dbraw/zinc/25/62/00/266256200.db2.gz MTROKOFIHLITDP-CYBMUJFWSA-N 0 3 291.395 2.001 20 30 CEEDHN C=CCN[C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000357406457 266292427 /nfs/dbraw/zinc/29/24/27/266292427.db2.gz WBYYNMPLKBKZLH-MRXNPFEDSA-N 0 3 260.381 2.144 20 30 CEEDHN C=CCN(C(=O)NCCN(C)CCCC)C1CC1 ZINC000357587402 266330870 /nfs/dbraw/zinc/33/08/70/266330870.db2.gz IQVIBQYJNMFWOA-UHFFFAOYSA-N 0 3 253.390 2.078 20 30 CEEDHN C[C@H](C#N)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000357796984 266364517 /nfs/dbraw/zinc/36/45/17/266364517.db2.gz QHCCYRLBOXZJMW-GFCCVEGCSA-N 0 3 291.420 2.236 20 30 CEEDHN C=C[C@@H](C)N[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000358294245 266449837 /nfs/dbraw/zinc/44/98/37/266449837.db2.gz JGZPNAXRDQZOEB-CHWSQXEVSA-N 0 3 294.420 2.452 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC000359960273 266662400 /nfs/dbraw/zinc/66/24/00/266662400.db2.gz QPICKBWBMWUSOE-GFCCVEGCSA-N 0 3 252.402 2.435 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC[C@@H](CC)O2)CC1 ZINC000362532317 267003517 /nfs/dbraw/zinc/00/35/17/267003517.db2.gz AFVWWEDBGYDFFR-HUUCEWRRSA-N 0 3 280.412 2.101 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000362621500 267024870 /nfs/dbraw/zinc/02/48/70/267024870.db2.gz HKXWQNSNNLLNAO-GOEBONIOSA-N 0 3 284.444 2.308 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](C(=O)NC)C(C)C)cc1 ZINC000362954430 267067483 /nfs/dbraw/zinc/06/74/83/267067483.db2.gz KTXYLHVMFHEMDJ-OAHLLOKOSA-N 0 3 276.380 2.112 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(CC1CC1)CC1CC1 ZINC000115564675 267099624 /nfs/dbraw/zinc/09/96/24/267099624.db2.gz PPXSTANKRLDLEY-INIZCTEOSA-N 0 3 277.412 2.163 20 30 CEEDHN CCO[C@@]1(C)C[C@H]1NCc1ccc(C#N)c(OC)c1 ZINC000527782828 267155460 /nfs/dbraw/zinc/15/54/60/267155460.db2.gz JQLIAEGQRPJQDG-CABCVRRESA-N 0 3 260.337 2.224 20 30 CEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000290155359 267175919 /nfs/dbraw/zinc/17/59/19/267175919.db2.gz QEZCPNDXUJKOHL-JOYOIKCWSA-N 0 3 295.264 2.308 20 30 CEEDHN C=CC[C@H](C)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000117025828 267199685 /nfs/dbraw/zinc/19/96/85/267199685.db2.gz UMOZENBOOYOXQG-GOEBONIOSA-N 0 3 289.423 2.423 20 30 CEEDHN CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)F ZINC000452268659 267219624 /nfs/dbraw/zinc/21/96/24/267219624.db2.gz YJSBDGXKSCJXHT-OLZOCXBDSA-N 0 3 291.301 2.400 20 30 CEEDHN CC[C@H]1CN(CCN[C@H](C)c2cccc(C#N)c2)CCO1 ZINC000494450878 267231962 /nfs/dbraw/zinc/23/19/62/267231962.db2.gz LNZMPYCXYLSHEI-PBHICJAKSA-N 0 3 287.407 2.320 20 30 CEEDHN C#CCOc1ccccc1CN1CC[C@](O)(C2CC2)C1 ZINC000369684964 267259971 /nfs/dbraw/zinc/25/99/71/267259971.db2.gz YXJCJEKGOSTTPZ-QGZVFWFLSA-N 0 3 271.360 2.045 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455770450 267279239 /nfs/dbraw/zinc/27/92/39/267279239.db2.gz XRJDNQRPFUGJBJ-UHFFFAOYSA-N 0 3 295.774 2.068 20 30 CEEDHN C[C@@H]1CN(CCC2CCN(CCC#N)CC2)C[C@@H](C)O1 ZINC000370206506 267298997 /nfs/dbraw/zinc/29/89/97/267298997.db2.gz BBQXIGCSDKUQRW-HUUCEWRRSA-N 0 3 279.428 2.111 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000493062446 267308206 /nfs/dbraw/zinc/30/82/06/267308206.db2.gz ZPPLUIQQEPHUHQ-ZNFPLGDCSA-N 0 3 283.375 2.124 20 30 CEEDHN CO[C@@H](CN(C)CCOCc1ccc(C#N)cc1)C1CC1 ZINC000425464218 267524838 /nfs/dbraw/zinc/52/48/38/267524838.db2.gz ZDLNYVUNOHKMQC-KRWDZBQOSA-N 0 3 288.391 2.432 20 30 CEEDHN C#CCCCC(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000372939845 267618452 /nfs/dbraw/zinc/61/84/52/267618452.db2.gz IQHHEFRBWFGIGX-CVEARBPZSA-N 0 3 270.376 2.004 20 30 CEEDHN C=C(Cl)CN1CCC(CCN2CCOCC2)CC1 ZINC000372954086 267619730 /nfs/dbraw/zinc/61/97/30/267619730.db2.gz WANIMJWQCZKPAV-UHFFFAOYSA-N 0 3 272.820 2.173 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000376739102 268013501 /nfs/dbraw/zinc/01/35/01/268013501.db2.gz WRQKYXJZUHFLPY-OAHLLOKOSA-N 0 3 285.391 2.266 20 30 CEEDHN Cn1ncc(C#N)c1NC[C@H]1CCN1C1CCCCC1 ZINC000528120023 268130670 /nfs/dbraw/zinc/13/06/70/268130670.db2.gz YRVLBMNMGHVNTI-CQSZACIVSA-N 0 3 273.384 2.111 20 30 CEEDHN N#Cc1cc(C(=O)NC[C@@H]2CCN2C2CCCCC2)ccn1 ZINC000529719303 268177994 /nfs/dbraw/zinc/17/79/94/268177994.db2.gz XCLFCPSAGOARII-INIZCTEOSA-N 0 3 298.390 2.090 20 30 CEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC12CCCC2 ZINC000528536720 268299861 /nfs/dbraw/zinc/29/98/61/268299861.db2.gz ZUOYRKJSVMQRBL-OAHLLOKOSA-N 0 3 286.375 2.316 20 30 CEEDHN C#CCN1CCC(C(=O)NC2(c3ccccc3)CC2)CC1 ZINC000264006239 275382013 /nfs/dbraw/zinc/38/20/13/275382013.db2.gz TWGZGKCUFDKWHX-UHFFFAOYSA-N 0 3 282.387 2.137 20 30 CEEDHN CC(C)N(C)C(=O)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000336382146 277533095 /nfs/dbraw/zinc/53/30/95/277533095.db2.gz LKMZLGXDHCDKHO-UKRRQHHQSA-N 0 3 277.412 2.257 20 30 CEEDHN C#CCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000264987637 277673958 /nfs/dbraw/zinc/67/39/58/277673958.db2.gz JYPQZPZMDATNBF-CYBMUJFWSA-N 0 3 291.420 2.208 20 30 CEEDHN C=CCN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000192150150 277872659 /nfs/dbraw/zinc/87/26/59/277872659.db2.gz RCRDVFLNBPKPBH-TZMCWYRMSA-N 0 3 264.756 2.387 20 30 CEEDHN CS[C@H](CO)[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353252738 278160343 /nfs/dbraw/zinc/16/03/43/278160343.db2.gz JREUVMZAKWINID-COLVAYQJSA-N 0 3 276.405 2.248 20 30 CEEDHN C[C@@H](O)CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352829448 278392068 /nfs/dbraw/zinc/39/20/68/278392068.db2.gz BIJJCNXZHITSJP-SECBINFHSA-N 0 3 272.270 2.438 20 30 CEEDHN C[C@H]1C[C@H](NCc2cc(C#N)cs2)CN1C1CC1 ZINC000151104103 280088472 /nfs/dbraw/zinc/08/84/72/280088472.db2.gz XNFZHIZHFAZVEL-JQWIXIFHSA-N 0 3 261.394 2.335 20 30 CEEDHN C[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1C#N ZINC000222145763 280211806 /nfs/dbraw/zinc/21/18/06/280211806.db2.gz MWDRPOGJDCNMSU-UKRRQHHQSA-N 0 3 274.364 2.172 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000245974654 280315840 /nfs/dbraw/zinc/31/58/40/280315840.db2.gz WSXSCEYWPVPLPH-UKRRQHHQSA-N 0 3 283.375 2.175 20 30 CEEDHN C[C@H](CNC(=O)N[C@H]1CCOC2(CCC2)C1)N(C)C1CC1 ZINC000330218209 289395223 /nfs/dbraw/zinc/39/52/23/289395223.db2.gz ONFXKQVDTYIQFB-OLZOCXBDSA-N 0 3 295.427 2.074 20 30 CEEDHN Cc1cnc(NC(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)o1 ZINC000329416345 292919722 /nfs/dbraw/zinc/91/97/22/292919722.db2.gz DCLBGTPIFHJIOD-CMPLNLGQSA-N 0 3 278.356 2.087 20 30 CEEDHN N#Cc1csc(CNCC2(O)Cc3ccccc3C2)c1 ZINC000531117371 298094518 /nfs/dbraw/zinc/09/45/18/298094518.db2.gz BHJKBQQGGUZXFL-UHFFFAOYSA-N 0 3 284.384 2.239 20 30 CEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2cccc(C#N)c2)C1 ZINC000533194602 313364327 /nfs/dbraw/zinc/36/43/27/313364327.db2.gz XGAQUYFLKCJTFG-DLBZAZTESA-N 0 3 297.402 2.043 20 30 CEEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ncccc1O ZINC000576073823 314238583 /nfs/dbraw/zinc/23/85/83/314238583.db2.gz OGARLRIFPJYREL-UHFFFAOYSA-N 0 3 297.358 2.307 20 30 CEEDHN N#CCCCNCc1cnn(Cc2ccccc2)c1 ZINC000273077439 327836877 /nfs/dbraw/zinc/83/68/77/327836877.db2.gz PWQOXDMGCLRFFV-UHFFFAOYSA-N 0 3 254.337 2.325 20 30 CEEDHN CS(=O)(=O)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185801098 327845276 /nfs/dbraw/zinc/84/52/76/327845276.db2.gz PNBJTTQEJDHQFH-KBPBESRZSA-N 0 3 292.404 2.262 20 30 CEEDHN CO[C@@H]1COC[C@H]1N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000577492480 314382873 /nfs/dbraw/zinc/38/28/73/314382873.db2.gz PZUCHJKPQFUWDH-BRWVUGGUSA-N 0 3 286.375 2.329 20 30 CEEDHN C=CCN1CC[C@H](NC(C)(C)c2cccs2)C1=O ZINC000337185658 327951012 /nfs/dbraw/zinc/95/10/12/327951012.db2.gz CSWNNILDOSMICN-NSHDSACASA-N 0 3 264.394 2.360 20 30 CEEDHN C=CCC[C@H](CO)NCc1cc2ccccc2[nH]c1=O ZINC000320323627 328003302 /nfs/dbraw/zinc/00/33/02/328003302.db2.gz XOAHXWHLLITMAC-CQSZACIVSA-N 0 3 272.348 2.357 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@]1(C)CCCO1)C(C)C ZINC000152066929 328055977 /nfs/dbraw/zinc/05/59/77/328055977.db2.gz NKLDBDGNEJMNFQ-WBVHZDCISA-N 0 3 294.439 2.370 20 30 CEEDHN N#CCCC1CCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000571287086 328097977 /nfs/dbraw/zinc/09/79/77/328097977.db2.gz VXLBPGUJAASRRF-MRXNPFEDSA-N 0 3 289.423 2.403 20 30 CEEDHN CC[C@H](C#N)NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000264146923 328157563 /nfs/dbraw/zinc/15/75/63/328157563.db2.gz GLGMSLOBBIESDO-OAHLLOKOSA-N 0 3 271.364 2.314 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)CC[C@@H]2C)CC1 ZINC000173197271 329143372 /nfs/dbraw/zinc/14/33/72/329143372.db2.gz ZQKZAXIFJQELKN-KGLIPLIRSA-N 0 3 279.428 2.467 20 30 CEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)/C=C/CN(C)C ZINC000273001424 328202743 /nfs/dbraw/zinc/20/27/43/328202743.db2.gz ONOZXZQGJHZTLD-LZGFCCKTSA-N 0 3 273.336 2.034 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](COC)CC1 ZINC000452077114 328217116 /nfs/dbraw/zinc/21/71/16/328217116.db2.gz FPIPJWBQNGPSEJ-HOTGVXAUSA-N 0 3 294.439 2.324 20 30 CEEDHN C[C@@H](CCO)N(CCOCCC#N)Cc1ccccc1 ZINC000293749583 328277356 /nfs/dbraw/zinc/27/73/56/328277356.db2.gz INYCHXQDTTXUCN-HNNXBMFYSA-N 0 3 276.380 2.190 20 30 CEEDHN C[C@H](CS(C)(=O)=O)N[C@H](CCCC#N)c1ccccc1 ZINC000340444229 328278227 /nfs/dbraw/zinc/27/82/27/328278227.db2.gz HCXOPLFDTVUJLH-UKRRQHHQSA-N 0 3 294.420 2.444 20 30 CEEDHN N#Cc1ccc(C2=CCN(CC[C@@H]3CCNC3=O)CC2)cc1 ZINC000581377736 322391865 /nfs/dbraw/zinc/39/18/65/322391865.db2.gz NHTSOJXXMAZWHR-KRWDZBQOSA-N 0 3 295.386 2.174 20 30 CEEDHN CN(C)CCN(C)c1cccc(C(F)F)c1C#N ZINC000582677793 322494654 /nfs/dbraw/zinc/49/46/54/322494654.db2.gz VSOSTDMUIZLDAE-UHFFFAOYSA-N 0 3 253.296 2.494 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(CCO)C1CCCCC1 ZINC000049855198 328380346 /nfs/dbraw/zinc/38/03/46/328380346.db2.gz BSCAQORFYIRQLC-UHFFFAOYSA-N 0 3 282.428 2.038 20 30 CEEDHN CSc1ccc([C@@H](CNC(=O)[C@@H](C)C#N)N(C)C)cc1 ZINC000341578533 328412368 /nfs/dbraw/zinc/41/23/68/328412368.db2.gz WHVRTIAFKOWESJ-SMDDNHRTSA-N 0 3 291.420 2.287 20 30 CEEDHN CSc1ccc([C@H](CNC(=O)[C@H](C)C#N)N(C)C)cc1 ZINC000341578532 328412385 /nfs/dbraw/zinc/41/23/85/328412385.db2.gz WHVRTIAFKOWESJ-RISCZKNCSA-N 0 3 291.420 2.287 20 30 CEEDHN CC(C)C[C@@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424081973 330223463 /nfs/dbraw/zinc/22/34/63/330223463.db2.gz AWANTHIJWUROFL-STQMWFEESA-N 0 3 251.374 2.045 20 30 CEEDHN COC(=O)C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000342764629 327028071 /nfs/dbraw/zinc/02/80/71/327028071.db2.gz JCMIQTYIQIPRIL-UHFFFAOYSA-N 0 3 272.348 2.138 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1csc(C)c1C ZINC000293905936 327179322 /nfs/dbraw/zinc/17/93/22/327179322.db2.gz FSFJOABSMDEFLT-UHFFFAOYSA-N 0 3 264.394 2.050 20 30 CEEDHN N#CCC[C@@H](C#N)CNCCCc1ccc(O)cc1 ZINC000584287124 327218634 /nfs/dbraw/zinc/21/86/34/327218634.db2.gz URBOACIQUDXJTQ-AWEZNQCLSA-N 0 3 257.337 2.358 20 30 CEEDHN N#CCCCN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152189308 327251280 /nfs/dbraw/zinc/25/12/80/327251280.db2.gz QVWMITMNKBSHHM-LBPRGKRZSA-N 0 3 259.357 2.165 20 30 CEEDHN N#CCCCN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152189308 327251281 /nfs/dbraw/zinc/25/12/81/327251281.db2.gz QVWMITMNKBSHHM-LBPRGKRZSA-N 0 3 259.357 2.165 20 30 CEEDHN COc1cc(OC)c(CNCCCCC#N)c(OC)c1 ZINC000237300632 327306323 /nfs/dbraw/zinc/30/63/23/327306323.db2.gz RELKICYCISIKBV-UHFFFAOYSA-N 0 3 278.352 2.496 20 30 CEEDHN C=C(Br)CNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000153540056 327347071 /nfs/dbraw/zinc/34/70/71/327347071.db2.gz AABHFTRUBMYFPC-PWSUYJOCSA-N 0 3 297.196 2.347 20 30 CEEDHN C=C1CCN(C(=O)C[C@@H](N)Cc2ccccc2)CC1 ZINC000565149685 327522365 /nfs/dbraw/zinc/52/23/65/327522365.db2.gz YOXLSYBDWJZAJG-HNNXBMFYSA-N 0 3 258.365 2.125 20 30 CEEDHN CC#CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000358478580 328885919 /nfs/dbraw/zinc/88/59/19/328885919.db2.gz LPDRRWNEBGQCRO-CYBMUJFWSA-N 0 3 291.420 2.208 20 30 CEEDHN CN(C)[C@@H]1CCCN(C(=O)NCC(C)(C)CCC#N)C1 ZINC000358745927 328893155 /nfs/dbraw/zinc/89/31/55/328893155.db2.gz XVGUQSPCARLIAY-CYBMUJFWSA-N 0 3 280.416 2.052 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2[C@H](C)C2(F)F)CC1 ZINC000359321852 328897045 /nfs/dbraw/zinc/89/70/45/328897045.db2.gz VYXQOPOCLOYGFJ-JQWIXIFHSA-N 0 3 272.339 2.044 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)NCC(C)(C)CCC#N)C[C@H]21 ZINC000377005765 329009132 /nfs/dbraw/zinc/00/91/32/329009132.db2.gz NDBPDYCSTBXVMO-ZIAGYGMSSA-N 0 3 292.427 2.052 20 30 CEEDHN C=CCCCC(=O)N1C[C@H](N)[C@H](c2ccc(F)cc2)C1 ZINC000377358286 329012538 /nfs/dbraw/zinc/01/25/38/329012538.db2.gz MSRCLHQQMRNSHN-GJZGRUSLSA-N 0 3 276.355 2.435 20 30 CEEDHN C=CCN1CCC(NC(=O)NC(C2CC2)C2CC2)CC1 ZINC000171707112 329078870 /nfs/dbraw/zinc/07/88/70/329078870.db2.gz QIJDFDPZDWVAAM-UHFFFAOYSA-N 0 3 277.412 2.125 20 30 CEEDHN N#CCNC(=O)CN[C@H](CC1CCC1)c1ccccc1 ZINC000181356186 329232313 /nfs/dbraw/zinc/23/23/13/329232313.db2.gz NTYCPKWTEMPPKD-OAHLLOKOSA-N 0 3 271.364 2.147 20 30 CEEDHN C=CCOc1ccc(CN[C@H](CO)CC=C)cc1OC ZINC000184271248 329258432 /nfs/dbraw/zinc/25/84/32/329258432.db2.gz BSVCFRSWVUZREA-AWEZNQCLSA-N 0 3 277.364 2.287 20 30 CEEDHN C=CC1CCN(Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185002270 329264513 /nfs/dbraw/zinc/26/45/13/329264513.db2.gz UKEMOBRMXGRUSH-UHFFFAOYSA-N 0 3 272.352 2.473 20 30 CEEDHN Cc1noc(CCCN2CCC(CCC#N)CC2)n1 ZINC000582902313 329283322 /nfs/dbraw/zinc/28/33/22/329283322.db2.gz JJOHZKLOABPZEK-UHFFFAOYSA-N 0 3 262.357 2.326 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000185737387 329331002 /nfs/dbraw/zinc/33/10/02/329331002.db2.gz WJBZLWAJGLLQAV-MJBXVCDLSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CC[C@H](C)N[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185929557 329332883 /nfs/dbraw/zinc/33/28/83/329332883.db2.gz MZTUMHDELSEXPW-GXFFZTMASA-N 0 3 266.772 2.291 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccc(OC)c(OC)c1OC ZINC000321411242 329353226 /nfs/dbraw/zinc/35/32/26/329353226.db2.gz JHYLMUPEBVLEOJ-CYBMUJFWSA-N 0 3 295.379 2.129 20 30 CEEDHN COC(=O)COc1ccc(CNCC(C)(C)CC#N)cc1 ZINC000459728941 329373663 /nfs/dbraw/zinc/37/36/63/329373663.db2.gz JQSVJQPDLFYFOJ-UHFFFAOYSA-N 0 3 290.363 2.268 20 30 CEEDHN C=CCN(CCOC)C(=O)Nc1cccc(CN(C)C)c1 ZINC000190386642 329395958 /nfs/dbraw/zinc/39/59/58/329395958.db2.gz XYWFWYDBVLHVFJ-UHFFFAOYSA-N 0 3 291.395 2.415 20 30 CEEDHN C=CC1CCN(CCCCCS(=O)(=O)CC)CC1 ZINC000190537716 329399127 /nfs/dbraw/zinc/39/91/27/329399127.db2.gz QPRQFSPQPLCYKI-UHFFFAOYSA-N 0 3 273.442 2.489 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000498137100 329424047 /nfs/dbraw/zinc/42/40/47/329424047.db2.gz OMAGKILKVKTLJF-INIZCTEOSA-N 0 3 289.423 2.377 20 30 CEEDHN C[C@@H]1C[C@H](N[C@@H]2CC[C@H](C#N)C2)C(=O)N1c1ccccc1 ZINC000514677635 329424509 /nfs/dbraw/zinc/42/45/09/329424509.db2.gz XRMVHFHIQVJKGN-CTASWTNQSA-N 0 3 283.375 2.462 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@H](N)c1ccccc1 ZINC000418427672 329531829 /nfs/dbraw/zinc/53/18/29/329531829.db2.gz LIQBKPWSZZKSCC-AWEZNQCLSA-N 0 3 259.353 2.070 20 30 CEEDHN C=CCNC(=O)[C@@H](C)NCC(C)(C)c1ccc(OC)cc1 ZINC000123966825 329565069 /nfs/dbraw/zinc/56/50/69/329565069.db2.gz UOLXYBJSAHSOMC-CYBMUJFWSA-N 0 3 290.407 2.253 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000248826309 329900022 /nfs/dbraw/zinc/90/00/22/329900022.db2.gz GIDZEGVJNIRNPV-KFWWJZLASA-N 0 3 283.375 2.464 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000248826318 329900039 /nfs/dbraw/zinc/90/00/39/329900039.db2.gz GIDZEGVJNIRNPV-RBSFLKMASA-N 0 3 283.375 2.464 20 30 CEEDHN CN(C)C(=O)[C@H](Cc1ccccc1)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000248927333 329902705 /nfs/dbraw/zinc/90/27/05/329902705.db2.gz XKABADNVRGXCNT-ZACQAIPSSA-N 0 3 299.418 2.358 20 30 CEEDHN COC(=O)[C@@H]1CCCCC[C@@H]1NC[C@H](C#N)CCC#N ZINC000162540923 330066177 /nfs/dbraw/zinc/06/61/77/330066177.db2.gz JONHUJZHCJLFRY-MJBXVCDLSA-N 0 3 277.368 2.141 20 30 CEEDHN CC[C@@H](O)CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000422083828 330120589 /nfs/dbraw/zinc/12/05/89/330120589.db2.gz JKUKLFSSRYDOGM-MRXNPFEDSA-N 0 3 298.390 2.324 20 30 CEEDHN CCN(C[C@@H]1CCN(CCCC#N)C1)CC(F)(F)F ZINC000081557291 330212736 /nfs/dbraw/zinc/21/27/36/330212736.db2.gz BJAABZKPBSSYPZ-LBPRGKRZSA-N 0 3 277.334 2.496 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2ccccc2)CCC1 ZINC000424059697 330218634 /nfs/dbraw/zinc/21/86/34/330218634.db2.gz BPODATZDZJJVAV-OAHLLOKOSA-N 0 3 285.391 2.246 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000424081266 330222191 /nfs/dbraw/zinc/22/21/91/330222191.db2.gz JNAFYAZVZREKDM-ZDUSSCGKSA-N 0 3 283.335 2.036 20 30 CEEDHN CCS[C@@H]1CC[C@H](N(C)CC(=O)NC2(C#N)CCC2)C1 ZINC000527135533 330225717 /nfs/dbraw/zinc/22/57/17/330225717.db2.gz IVLXCVQXGMSECL-QWHCGFSZSA-N 0 3 295.452 2.155 20 30 CEEDHN Cc1ccccc1CC(C)(C)NC(=O)[C@H](N)CCCC#N ZINC000424113267 330241872 /nfs/dbraw/zinc/24/18/72/330241872.db2.gz MVPWSVXCQQXOPT-OAHLLOKOSA-N 0 3 287.407 2.454 20 30 CEEDHN CC[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424115319 330243248 /nfs/dbraw/zinc/24/32/48/330243248.db2.gz ADRJNUXYVLPLIK-CVEARBPZSA-N 0 3 287.407 2.487 20 30 CEEDHN Cc1cccc(C(C)(C)CNC(=O)[C@H](N)CCCC#N)c1 ZINC000424115906 330243490 /nfs/dbraw/zinc/24/34/90/330243490.db2.gz WQYZZYWJRHORKQ-OAHLLOKOSA-N 0 3 287.407 2.410 20 30 CEEDHN CO[C@H](C)c1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424116661 330243718 /nfs/dbraw/zinc/24/37/18/330243718.db2.gz XSGFNTPTLNKDNE-RISCZKNCSA-N 0 3 275.352 2.354 20 30 CEEDHN CCC1(C)CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424117107 330243773 /nfs/dbraw/zinc/24/37/73/330243773.db2.gz YFQCTKJCHNIHAE-GFCCVEGCSA-N 0 3 251.374 2.046 20 30 CEEDHN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H](N)CCCC#N ZINC000424121014 330251089 /nfs/dbraw/zinc/25/10/89/330251089.db2.gz HTJWHAPYYCFQLN-KBMXLJTQSA-N 0 3 285.391 2.412 20 30 CEEDHN Cc1ccc(C[C@H](C)NC(=O)[C@@H](N)CCCC#N)s1 ZINC000424122896 330255052 /nfs/dbraw/zinc/25/50/52/330255052.db2.gz JYNHKUDWEQRSJS-GWCFXTLKSA-N 0 3 279.409 2.125 20 30 CEEDHN CC[C@@H]1CCCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424123531 330255722 /nfs/dbraw/zinc/25/57/22/330255722.db2.gz LBKWZKIFNYLXHM-CHWSQXEVSA-N 0 3 251.374 2.046 20 30 CEEDHN CCOC(=O)C1(C)CCC(NC[C@H](C)C#N)CC1 ZINC000527526609 330257461 /nfs/dbraw/zinc/25/74/61/330257461.db2.gz UWWCKFSANWOYBT-LKSINWNRSA-N 0 3 252.358 2.248 20 30 CEEDHN C[C@@]1(c2ccccc2)CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424133119 330265368 /nfs/dbraw/zinc/26/53/68/330265368.db2.gz YTLIFUIUVCIAOE-NVXWUHKLSA-N 0 3 285.391 2.198 20 30 CEEDHN C=CCc1cc(CNCC23CC(C2)CO3)cc(OC)c1O ZINC000527787994 330283371 /nfs/dbraw/zinc/28/33/71/330283371.db2.gz INCWBYWCYHPNRW-UHFFFAOYSA-N 0 3 289.375 2.398 20 30 CEEDHN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000424148114 330294920 /nfs/dbraw/zinc/29/49/20/330294920.db2.gz DUEWCRLNARBKJI-UPJWGTAASA-N 0 3 265.401 2.339 20 30 CEEDHN CCC[C@H](C)[C@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424163893 330308210 /nfs/dbraw/zinc/30/82/10/330308210.db2.gz AXGXADXBWIXKBP-MELADBBJSA-N 0 3 265.401 2.435 20 30 CEEDHN CCN(C(=O)[C@H](N)CCCC#N)[C@@H](C)c1cccnc1 ZINC000424165392 330309138 /nfs/dbraw/zinc/30/91/38/330309138.db2.gz BJOBIAMJMGFHKJ-GXTWGEPZSA-N 0 3 274.368 2.012 20 30 CEEDHN CCN(C)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cn1 ZINC000424197681 330325750 /nfs/dbraw/zinc/32/57/50/330325750.db2.gz OJJIILQURMJGKW-GXTWGEPZSA-N 0 3 258.369 2.320 20 30 CEEDHN C=CCn1cc(CN[C@H](C)CCCc2cccnc2)nn1 ZINC000424299930 330336846 /nfs/dbraw/zinc/33/68/46/330336846.db2.gz WHTBZUVYZMCURJ-CQSZACIVSA-N 0 3 285.395 2.360 20 30 CEEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(-n2cnnn2)cc1 ZINC000424330464 330342154 /nfs/dbraw/zinc/34/21/54/330342154.db2.gz QRLTUZRKMBUPCH-MBNYWOFBSA-N 0 3 282.351 2.005 20 30 CEEDHN Cc1cc(CN)cc(NC(=O)N2CCC(F)(C#N)CC2)c1 ZINC000424428639 330351757 /nfs/dbraw/zinc/35/17/57/330351757.db2.gz UPAFXINPEDKLNB-UHFFFAOYSA-N 0 3 290.342 2.313 20 30 CEEDHN C#CCN(C(=O)NC[C@H](C)N(C)C1CC1)C1CCCC1 ZINC000120520540 330389334 /nfs/dbraw/zinc/38/93/34/330389334.db2.gz DOOLLXKAECKATP-ZDUSSCGKSA-N 0 3 277.412 2.057 20 30 CEEDHN C#CCN(C(=O)NC[C@@H](C)N(C)C1CC1)C1CCCC1 ZINC000120520715 330389342 /nfs/dbraw/zinc/38/93/42/330389342.db2.gz DOOLLXKAECKATP-CYBMUJFWSA-N 0 3 277.412 2.057 20 30 CEEDHN CC(C)(C)n1cc(CNCC2CCC(C#N)CC2)nn1 ZINC000441330749 330765770 /nfs/dbraw/zinc/76/57/70/330765770.db2.gz GBMYDMCXOODTIA-UHFFFAOYSA-N 0 3 275.400 2.453 20 30 CEEDHN CCOC(=O)c1csc(CCN[C@@H]2CC[C@H](C#N)C2)n1 ZINC000442862044 330788096 /nfs/dbraw/zinc/78/80/96/330788096.db2.gz VDQXIQLTHATIRB-WDEREUQCSA-N 0 3 293.392 2.144 20 30 CEEDHN COC(=O)[C@](C)(CN[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000443067451 330793619 /nfs/dbraw/zinc/79/36/19/330793619.db2.gz LNNSQKBYAASDMJ-YSVLISHTSA-N 0 3 286.375 2.399 20 30 CEEDHN C=CCCCC(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000443664543 330805313 /nfs/dbraw/zinc/80/53/13/330805313.db2.gz DNCXNLAAGCZUKB-HUUCEWRRSA-N 0 3 282.428 2.348 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NCc2ccnc(-n3cccn3)c2)C1 ZINC000447546210 330869454 /nfs/dbraw/zinc/86/94/54/330869454.db2.gz ZZCFWRLOEBSJMZ-HIFRSBDPSA-N 0 3 281.363 2.439 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(OCCO)cc2)C1 ZINC000447572523 330870578 /nfs/dbraw/zinc/87/05/78/330870578.db2.gz CKKBWFUFUYBZBT-HUUCEWRRSA-N 0 3 274.364 2.230 20 30 CEEDHN C[C@@H]1C[C@]1(C#N)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000450894111 331005479 /nfs/dbraw/zinc/00/54/79/331005479.db2.gz DYSAZEYTOUKUIP-AHEZYBDSSA-N 0 3 297.402 2.173 20 30 CEEDHN C=CCN1CC[C@H](N(C)CC23CCC(CC2)C3)C1=O ZINC000450904074 331006100 /nfs/dbraw/zinc/00/61/00/331006100.db2.gz MKHNUIXLZLRRCN-BBBYJDLNSA-N 0 3 262.397 2.285 20 30 CEEDHN CC1(C#N)CN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000451374746 331026322 /nfs/dbraw/zinc/02/63/22/331026322.db2.gz KRBOFKLQUQVREK-AWEZNQCLSA-N 0 3 275.396 2.156 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000451596696 331035573 /nfs/dbraw/zinc/03/55/73/331035573.db2.gz GWSLHNXPRLDWRK-RYPNDVFKSA-N 0 3 280.412 2.098 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCCc2ccccc2CC1 ZINC000451734127 331040598 /nfs/dbraw/zinc/04/05/98/331040598.db2.gz BWPDAKKVFOTZTH-OAHLLOKOSA-N 0 3 299.418 2.238 20 30 CEEDHN C=CCCN1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451875577 331045756 /nfs/dbraw/zinc/04/57/56/331045756.db2.gz VOBPUAAKXVRGNW-NSHDSACASA-N 0 3 250.308 2.379 20 30 CEEDHN Cc1cccc([C@@H](C)N[C@H](C)C(=O)N(C)CCC#N)c1 ZINC000452088895 331053600 /nfs/dbraw/zinc/05/36/00/331053600.db2.gz PJWSWQIBUSTVJY-ZIAGYGMSSA-N 0 3 273.380 2.406 20 30 CEEDHN C=CC(C)(C)CNC(=O)C1CCN(C2CC2)CC1 ZINC000452772000 331075626 /nfs/dbraw/zinc/07/56/26/331075626.db2.gz CJUFXQDOUJPAJF-UHFFFAOYSA-N 0 3 250.386 2.189 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H](F)C1 ZINC000452798658 331078181 /nfs/dbraw/zinc/07/81/81/331078181.db2.gz QZCYMVUKCSXVSB-KGLIPLIRSA-N 0 3 260.312 2.329 20 30 CEEDHN C=C(CC)CNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000454482005 331147207 /nfs/dbraw/zinc/14/72/07/331147207.db2.gz DKBCWUNDVSSYDX-UHFFFAOYSA-N 0 3 297.443 2.141 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2C[C@H]2C(C)C)CC1 ZINC000454544485 331148514 /nfs/dbraw/zinc/14/85/14/331148514.db2.gz MPZYELOCWJNACD-ZFWWWQNUSA-N 0 3 279.428 2.228 20 30 CEEDHN C=C(C)CCNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000455306864 331165062 /nfs/dbraw/zinc/16/50/62/331165062.db2.gz HHYVYHLWRGJQLR-UHFFFAOYSA-N 0 3 297.443 2.141 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(CC#N)cc2)C1 ZINC000457099929 331212374 /nfs/dbraw/zinc/21/23/74/331212374.db2.gz WCEPTBNGLMZTDG-MRXNPFEDSA-N 0 3 285.391 2.307 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000457618997 331229125 /nfs/dbraw/zinc/22/91/25/331229125.db2.gz AITYYSFOVKYMAY-SJXGUFTOSA-N 0 3 292.423 2.099 20 30 CEEDHN C=C(C)CCNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000459014371 331266581 /nfs/dbraw/zinc/26/65/81/331266581.db2.gz ZVZHNRVMUKNGLM-CYBMUJFWSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCCCC[C@@H](C)N[C@H](CO)c1ccnn1C ZINC000459696536 331294895 /nfs/dbraw/zinc/29/48/95/331294895.db2.gz BHUQKRYATFKZEL-CHWSQXEVSA-N 0 3 251.374 2.178 20 30 CEEDHN C[S@](=O)c1ccc(CNCC(C)(C)CC#N)cc1 ZINC000459727575 331296086 /nfs/dbraw/zinc/29/60/86/331296086.db2.gz HGCSHEOYAOHSMD-SFHVURJKSA-N 0 3 264.394 2.453 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1C[C@@H](OC)C12CCC2 ZINC000459748068 331298083 /nfs/dbraw/zinc/29/80/83/331298083.db2.gz GGYJXUVIMQTGGI-SOUVJXGZSA-N 0 3 294.439 2.347 20 30 CEEDHN CC(C)(C#N)CCNC1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC000459780026 331300622 /nfs/dbraw/zinc/30/06/22/331300622.db2.gz QQYLXTMRBMIGLY-UHFFFAOYSA-N 0 3 289.423 2.196 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000489973371 332075137 /nfs/dbraw/zinc/07/51/37/332075137.db2.gz QXDWBTPXIIHSBY-ZDUSSCGKSA-N 0 3 273.380 2.054 20 30 CEEDHN C#C[C@@H](C)N(C)Cc1ccc(OCCOCCOC)cc1 ZINC000491073466 332147308 /nfs/dbraw/zinc/14/73/08/332147308.db2.gz ZNBKMPTUQSCCLO-OAHLLOKOSA-N 0 3 291.391 2.182 20 30 CEEDHN 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/nfs/dbraw/zinc/35/48/07/528354807.db2.gz SMFGEMYFZHXVGO-UHFFFAOYSA-N 0 3 287.354 2.258 20 30 CEEDHN CCN1CCC[C@H](NC(=O)c2ccc3nsnc3c2)C1 ZINC000329249622 529082362 /nfs/dbraw/zinc/08/23/62/529082362.db2.gz XFDKGVLVKMNMIP-NSHDSACASA-N 0 3 290.392 2.480 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCCCN2CCCC)nc1 ZINC000728865130 574472941 /nfs/dbraw/zinc/47/29/41/574472941.db2.gz YDBIVCBKYBNLEP-INIZCTEOSA-N 0 3 299.418 2.447 20 30 CEEDHN C=CCCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000729074368 574478129 /nfs/dbraw/zinc/47/81/29/574478129.db2.gz VJXWWMWIOMLFCT-LLVKDONJSA-N 0 3 295.285 2.437 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCc3ccc(C)cc32)CC1 ZINC000730191161 574507526 /nfs/dbraw/zinc/50/75/26/574507526.db2.gz JIZHTYNWDWVESC-SFHVURJKSA-N 0 3 296.414 2.444 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CCSC1 ZINC000762068365 574522938 /nfs/dbraw/zinc/52/29/38/574522938.db2.gz JPCWZGJKFFTBJM-ZYHUDNBSSA-N 0 3 274.345 2.087 20 30 CEEDHN C#Cc1cccc(N(C)C(=O)[C@H](C(C)C)N(C)C)c1 ZINC000732071380 574611628 /nfs/dbraw/zinc/61/16/28/574611628.db2.gz MALUXXWZTNCOTI-HNNXBMFYSA-N 0 3 258.365 2.217 20 30 CEEDHN CCCCCCN(C)CC(=O)N[C@H](C#N)C(C)C ZINC000735657499 574763743 /nfs/dbraw/zinc/76/37/43/574763743.db2.gz QHEJBJSFNJPIKR-CYBMUJFWSA-N 0 3 253.390 2.163 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000736671761 574794330 /nfs/dbraw/zinc/79/43/30/574794330.db2.gz GKFDCYZOJQXECA-NWDGAFQWSA-N 0 3 295.383 2.052 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H]3CCOC3)nc21 ZINC000740562885 574959324 /nfs/dbraw/zinc/95/93/24/574959324.db2.gz SQKUBLVVWQGOSG-VXGBXAGGSA-N 0 3 283.331 2.474 20 30 CEEDHN Cc1cccc2nc(C(C#N)C(=O)C[C@H]3CCOC3)[nH]c21 ZINC000740562885 574959325 /nfs/dbraw/zinc/95/93/25/574959325.db2.gz SQKUBLVVWQGOSG-VXGBXAGGSA-N 0 3 283.331 2.474 20 30 CEEDHN Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)N2CCCC2)o1 ZINC000744024323 575112382 /nfs/dbraw/zinc/11/23/82/575112382.db2.gz RIHCUPWUYYZDNB-NWDGAFQWSA-N 0 3 274.320 2.023 20 30 CEEDHN C=CCSCCNC(=O)NC[C@H](C)N1CCCCC1 ZINC000745280906 575135943 /nfs/dbraw/zinc/13/59/43/575135943.db2.gz BQLAXIUOMWEQPG-ZDUSSCGKSA-N 0 3 285.457 2.079 20 30 CEEDHN CCCN1CCC(NC(=O)C#Cc2ccccc2)CC1 ZINC000747199756 575168458 /nfs/dbraw/zinc/16/84/58/575168458.db2.gz BZBJHYPDOFDFEP-UHFFFAOYSA-N 0 3 270.376 2.029 20 30 CEEDHN C#CCCCCNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000749262154 575211316 /nfs/dbraw/zinc/21/13/16/575211316.db2.gz IZRNLPYCJMHLGT-OAHLLOKOSA-N 0 3 262.397 2.313 20 30 CEEDHN N#CC(C(=O)CCOCC1CC1)C(=O)Nc1ccccc1 ZINC000751827992 575298656 /nfs/dbraw/zinc/29/86/56/575298656.db2.gz ZENJZGHAEUJBDA-AWEZNQCLSA-N 0 3 286.331 2.151 20 30 CEEDHN C#CC[N@H+](Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000819701485 606784671 /nfs/dbraw/zinc/78/46/71/606784671.db2.gz JEISQYMYMYLUNF-UHFFFAOYSA-N 0 3 281.363 2.245 20 30 CEEDHN C#CC[N@@H+](Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000819701485 606784672 /nfs/dbraw/zinc/78/46/72/606784672.db2.gz JEISQYMYMYLUNF-UHFFFAOYSA-N 0 3 281.363 2.245 20 30 CEEDHN C#CC[N@H+](Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000819701485 606784674 /nfs/dbraw/zinc/78/46/74/606784674.db2.gz JEISQYMYMYLUNF-UHFFFAOYSA-N 0 3 281.363 2.245 20 30 CEEDHN C#CC[N@@H+](Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000819701485 606784675 /nfs/dbraw/zinc/78/46/75/606784675.db2.gz JEISQYMYMYLUNF-UHFFFAOYSA-N 0 3 281.363 2.245 20 30 CEEDHN C[C@@H]([NH2+]CCCCC#N)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824584481 609141236 /nfs/dbraw/zinc/14/12/36/609141236.db2.gz BLDWDJXQFVQHJT-SNVBAGLBSA-N 0 3 288.330 2.350 20 30 CEEDHN C[C@@H]([NH2+]CCCCC#N)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824584481 609141237 /nfs/dbraw/zinc/14/12/37/609141237.db2.gz BLDWDJXQFVQHJT-SNVBAGLBSA-N 0 3 288.330 2.350 20 30 CEEDHN C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823882876 609149139 /nfs/dbraw/zinc/14/91/39/609149139.db2.gz FGUPELULSRAMBZ-BDAKNGLRSA-N 0 3 261.304 2.231 20 30 CEEDHN C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823882876 609149141 /nfs/dbraw/zinc/14/91/41/609149141.db2.gz FGUPELULSRAMBZ-BDAKNGLRSA-N 0 3 261.304 2.231 20 30 CEEDHN C=C(C)C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823878162 609370638 /nfs/dbraw/zinc/37/06/38/609370638.db2.gz RLJFPBPJUNYEQP-UHFFFAOYSA-N 0 3 261.304 2.014 20 30 CEEDHN C=C(C)C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823878162 609370641 /nfs/dbraw/zinc/37/06/41/609370641.db2.gz RLJFPBPJUNYEQP-UHFFFAOYSA-N 0 3 261.304 2.014 20 30 CEEDHN C=C(C)C[N@@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823878162 609370644 /nfs/dbraw/zinc/37/06/44/609370644.db2.gz RLJFPBPJUNYEQP-UHFFFAOYSA-N 0 3 261.304 2.014 20 30 CEEDHN C=C(C)C[N@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823878162 609370647 /nfs/dbraw/zinc/37/06/47/609370647.db2.gz RLJFPBPJUNYEQP-UHFFFAOYSA-N 0 3 261.304 2.014 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC000969893930 612960806 /nfs/dbraw/zinc/96/08/06/612960806.db2.gz OLHQVRMNZWOSFE-CZUORRHYSA-N 0 3 288.366 2.143 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC000969066298 612961527 /nfs/dbraw/zinc/96/15/27/612961527.db2.gz QTWYEUKHAKMZMY-CQSZACIVSA-N 0 3 290.794 2.015 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)Cc2coc3ccc(C)cc23)C1 ZINC000968820270 612962158 /nfs/dbraw/zinc/96/21/58/612962158.db2.gz LCAVXFVWUJGCHW-OAHLLOKOSA-N 0 3 296.370 2.107 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC000970715338 612964529 /nfs/dbraw/zinc/96/45/29/612964529.db2.gz TXCUOMDEBMFNRD-OAHLLOKOSA-N 0 3 293.370 2.119 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(C)cc2C)C1 ZINC000970823584 612995003 /nfs/dbraw/zinc/99/50/03/612995003.db2.gz BAWCXIMNYZWCNR-OAHLLOKOSA-N 0 3 284.403 2.377 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC000970422935 612995045 /nfs/dbraw/zinc/99/50/45/612995045.db2.gz FNWDDJKTYSXIFI-CYBMUJFWSA-N 0 3 299.418 2.356 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cccc(F)c2F)C1 ZINC000970347405 612995532 /nfs/dbraw/zinc/99/55/32/612995532.db2.gz XJPVWYUHRODAQW-LLVKDONJSA-N 0 3 292.329 2.038 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cccc3[nH]ccc32)C1 ZINC000970469237 612997909 /nfs/dbraw/zinc/99/79/09/612997909.db2.gz AKZYYCAKFZASHS-ZDUSSCGKSA-N 0 3 295.386 2.241 20 30 CEEDHN C#CCCN1CCCN(C(=O)C[C@H](C)c2ccncc2)CC1 ZINC000981438410 613002970 /nfs/dbraw/zinc/00/29/70/613002970.db2.gz SOJZLWVXLHBHPO-INIZCTEOSA-N 0 3 299.418 2.133 20 30 CEEDHN C#CCCN1CCCN(C(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC000981821863 613003198 /nfs/dbraw/zinc/00/31/98/613003198.db2.gz SVNITUFCAXSWBT-AWEZNQCLSA-N 0 3 298.377 2.370 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC000968525686 613023947 /nfs/dbraw/zinc/02/39/47/613023947.db2.gz UJWIBQUODUBTGK-XJKSGUPXSA-N 0 3 288.435 2.273 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC000968369323 613024507 /nfs/dbraw/zinc/02/45/07/613024507.db2.gz ISMZYKLEBXLDPR-BLLLJJGKSA-N 0 3 287.407 2.095 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C2(C)CC=CC2)C(C)(C)C1 ZINC000975015847 613030868 /nfs/dbraw/zinc/03/08/68/613030868.db2.gz ZOVOSQLVUWXXOV-CQSZACIVSA-N 0 3 274.408 2.193 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC000974942400 613037999 /nfs/dbraw/zinc/03/79/99/613037999.db2.gz DRKLHBZFPALGPU-KGLIPLIRSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2ccccc2C)C(C)(C)C1 ZINC000972774821 613038679 /nfs/dbraw/zinc/03/86/79/613038679.db2.gz SKLNTZHYCSTPCN-INIZCTEOSA-N 0 3 284.403 2.459 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cncc(CC)c2)C(C)(C)C1 ZINC000974826334 613039259 /nfs/dbraw/zinc/03/92/59/613039259.db2.gz IRWIUCUOAZAZJI-INIZCTEOSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)Cc2cccs2)CC1 ZINC000948148847 613162054 /nfs/dbraw/zinc/16/20/54/613162054.db2.gz IZNDMRBLHVXGKR-CQSZACIVSA-N 0 3 290.432 2.237 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)Cc2ccccc2)CC1 ZINC000948556702 613162135 /nfs/dbraw/zinc/16/21/35/613162135.db2.gz WSPOHTCCWLMYDF-QGZVFWFLSA-N 0 3 284.403 2.175 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cccn2CC=C)CC1 ZINC000948439184 613163317 /nfs/dbraw/zinc/16/33/17/613163317.db2.gz JSCVNPCLGWBJLQ-MRXNPFEDSA-N 0 3 299.418 2.234 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000948180587 613179180 /nfs/dbraw/zinc/17/91/80/613179180.db2.gz CMUYTNYZRXJFCD-ZDUSSCGKSA-N 0 3 293.798 2.228 20 30 CEEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CN(CC=C)CC1(C)C ZINC000977526098 613207192 /nfs/dbraw/zinc/20/71/92/613207192.db2.gz GVCQUFBAFWYMCM-QGZVFWFLSA-N 0 3 296.414 2.223 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C2(C)CCCC2)C[C@H]1C ZINC000947588544 613223371 /nfs/dbraw/zinc/22/33/71/613223371.db2.gz DYLWTHULNCAJQI-ZIAGYGMSSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cccn2C(C)C)[C@H](C)C1 ZINC000944981205 613237799 /nfs/dbraw/zinc/23/77/99/613237799.db2.gz ZXPQIWFCPGYCMA-HUUCEWRRSA-N 0 3 287.407 2.142 20 30 CEEDHN C=C(C)CCN1CCCN(C(=O)c2ccoc2)CC1 ZINC000980704945 613255327 /nfs/dbraw/zinc/25/53/27/613255327.db2.gz ZGXAEGNKESGMHC-UHFFFAOYSA-N 0 3 262.353 2.394 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2CCCCC2)C[C@H]1C ZINC000946995721 613257534 /nfs/dbraw/zinc/25/75/34/613257534.db2.gz LUMHFECIWDTVDT-HIFRSBDPSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(F)c(C)c2)[C@@H](C)C1 ZINC000942583199 613269238 /nfs/dbraw/zinc/26/92/38/613269238.db2.gz CRACDQINJPYFJT-BBRMVZONSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C)c2C)[C@@H](C)C1 ZINC000944552579 613270086 /nfs/dbraw/zinc/27/00/86/613270086.db2.gz ITCAQKUZMRAQNA-YOEHRIQHSA-N 0 3 284.403 2.377 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C)c2)C[C@@H]1C ZINC000947020822 613270146 /nfs/dbraw/zinc/27/01/46/613270146.db2.gz GJGGFMDNHQONIA-HOCLYGCPSA-N 0 3 270.376 2.211 20 30 CEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H](C)C(C)C)C[C@]2(C)C1 ZINC000982612554 613293368 /nfs/dbraw/zinc/29/33/68/613293368.db2.gz WCCIFKAWYKPLQI-OIISXLGYSA-N 0 3 276.424 2.082 20 30 CEEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2Cc3ccccc3C2)C1 ZINC000970480581 613301794 /nfs/dbraw/zinc/30/17/94/613301794.db2.gz QLQUZHGEWQAGFX-AWEZNQCLSA-N 0 3 298.430 2.414 20 30 CEEDHN C=C(C)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(C)C)on1 ZINC000961366899 613345586 /nfs/dbraw/zinc/34/55/86/613345586.db2.gz VVFSUJWJPDQTCZ-JYAVWHMHSA-N 0 3 289.379 2.034 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCC2(CC1)CN(CCC)CCO2 ZINC000949433129 613429942 /nfs/dbraw/zinc/42/99/42/613429942.db2.gz CTIGDSCXCCXWRB-UHFFFAOYSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2cncc(F)c2)C1 ZINC000969587583 613436678 /nfs/dbraw/zinc/43/66/78/613436678.db2.gz UKCSCAYPEFNWKI-CQSZACIVSA-N 0 3 291.370 2.123 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2ncc3ccccn32)CC1 ZINC000981611502 613499104 /nfs/dbraw/zinc/49/91/04/613499104.db2.gz DMEIUECIHJCMTF-UHFFFAOYSA-N 0 3 298.390 2.058 20 30 CEEDHN C=CCCN1CCOC2(CCN(C(=O)C3(C)CC3)CC2)C1 ZINC000949373207 613513024 /nfs/dbraw/zinc/51/30/24/613513024.db2.gz NUZZNLMXGVNAKH-UHFFFAOYSA-N 0 3 292.423 2.056 20 30 CEEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2nccs2)C1 ZINC000968465377 613516479 /nfs/dbraw/zinc/51/64/79/613516479.db2.gz WIKDWORMMFEHIZ-NEPJUHHUSA-N 0 3 279.409 2.159 20 30 CEEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2ncccc2F)C1 ZINC000968472308 613518896 /nfs/dbraw/zinc/51/88/96/613518896.db2.gz SXPAHSHHUNIIFR-TZMCWYRMSA-N 0 3 291.370 2.237 20 30 CEEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2onc(C)c2C)C1 ZINC000966896225 613530950 /nfs/dbraw/zinc/53/09/50/613530950.db2.gz NJXJDKQQKWMZPF-FZMZJTMJSA-N 0 3 291.395 2.308 20 30 CEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000968997875 613545622 /nfs/dbraw/zinc/54/56/22/613545622.db2.gz GVXGQXSZXTUDQM-HZMVEIRTSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)c2cc(CC)on2)C(C)(C)C1 ZINC000977487536 613545841 /nfs/dbraw/zinc/54/58/41/613545841.db2.gz QVJJEMBVTPAJSL-CQSZACIVSA-N 0 3 291.395 2.253 20 30 CEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)C1CC=CC1 ZINC000968793929 613546038 /nfs/dbraw/zinc/54/60/38/613546038.db2.gz NVZJPOUOYMRMSL-INIZCTEOSA-N 0 3 274.408 2.337 20 30 CEEDHN C=CCCN1C[C@H](NC(=O)C(C)(F)F)C(C)(C)C1 ZINC000972736590 613553495 /nfs/dbraw/zinc/55/34/95/613553495.db2.gz BMPFPSATSKBJSM-JTQLQIEISA-N 0 3 260.328 2.044 20 30 CEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2ccncc2C)CC1 ZINC000948364373 613558084 /nfs/dbraw/zinc/55/80/84/613558084.db2.gz FBRSNSLNHHVTPS-MRXNPFEDSA-N 0 3 299.418 2.340 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)C2(C)CC=CC2)C[C@H]1C ZINC000947693836 613577162 /nfs/dbraw/zinc/57/71/62/613577162.db2.gz SCRFYWZRLRVZIS-HUUCEWRRSA-N 0 3 274.408 2.335 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)CC2CCC2)C(C)(C)C1 ZINC000940655223 613578123 /nfs/dbraw/zinc/57/81/23/613578123.db2.gz KALIHMNOQWRLJX-OAHLLOKOSA-N 0 3 276.424 2.417 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)C2CC(F)(F)C2)C[C@H]1C ZINC000947170858 613578421 /nfs/dbraw/zinc/57/84/21/613578421.db2.gz MWMDMEWALHGQKI-DGCLKSJQSA-N 0 3 284.350 2.024 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)c2[nH]c(C)cc2C)C[C@H]1C ZINC000947445351 613581803 /nfs/dbraw/zinc/58/18/03/613581803.db2.gz KTCBSZSLXFUDTQ-HUUCEWRRSA-N 0 3 287.407 2.238 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C)c(C)n2)C[C@H]1C ZINC000947551019 613583691 /nfs/dbraw/zinc/58/36/91/613583691.db2.gz DBFRDWUTOWZTOI-GDBMZVCRSA-N 0 3 299.418 2.304 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2ccccc2F)C[C@H]1C ZINC000947005934 613602632 /nfs/dbraw/zinc/60/26/32/613602632.db2.gz WUZIZZDRULLPEL-KGLIPLIRSA-N 0 3 288.366 2.432 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCC2CCC2)C1 ZINC000971295683 613611239 /nfs/dbraw/zinc/61/12/39/613611239.db2.gz TYXUWAWXUAVPSH-CQSZACIVSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc(C)c(CC)o2)C1 ZINC000972712592 613619756 /nfs/dbraw/zinc/61/97/56/613619756.db2.gz IPVJPVSBTQUOGY-CYBMUJFWSA-N 0 3 276.380 2.483 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(COC)cc2)C1 ZINC000980367659 613620547 /nfs/dbraw/zinc/62/05/47/613620547.db2.gz YEAYORPSYWYLGQ-MRXNPFEDSA-N 0 3 288.391 2.165 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc[nH]c2C(C)C)C1 ZINC000972145187 613620822 /nfs/dbraw/zinc/62/08/22/613620822.db2.gz WOCLKUNMDSXAOW-CYBMUJFWSA-N 0 3 275.396 2.470 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2csc(Cl)n2)C1 ZINC000972680482 613624169 /nfs/dbraw/zinc/62/41/69/613624169.db2.gz MCHQLRCTBTYPHI-SECBINFHSA-N 0 3 285.800 2.129 20 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30 CEEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)NCCCOC(C)C ZINC000892464676 625536465 /nfs/dbraw/zinc/53/64/65/625536465.db2.gz IPTAYRDHUFHCRP-ZDUSSCGKSA-N 0 3 294.395 2.229 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC001020419228 622573630 /nfs/dbraw/zinc/57/36/30/622573630.db2.gz BDCPSILXDUWMGS-JOCQHMNTSA-N 0 3 293.798 2.301 20 30 CEEDHN C=CC[C@H]1CCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000890553920 622594086 /nfs/dbraw/zinc/59/40/86/622594086.db2.gz FBBSQVVJRJGJOF-WFASDCNBSA-N 0 3 268.376 2.376 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](F)C2)C1 ZINC001020516910 622668683 /nfs/dbraw/zinc/66/86/83/622668683.db2.gz UJZIBWANKVBNBW-USZNOCQGSA-N 0 3 274.767 2.114 20 30 CEEDHN CN1CCc2cc(C=NNC[C@H]3CCSC3)ccc21 ZINC000811661785 622679883 /nfs/dbraw/zinc/67/98/83/622679883.db2.gz SNMGQFKDNRDTMD-CYBMUJFWSA-N 0 3 275.421 2.356 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccn(C)c2CC)C1 ZINC001020587744 622738049 /nfs/dbraw/zinc/73/80/49/622738049.db2.gz 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C#CCN1CCC[C@H]([C@H](C)NC(=O)c2coc(C)c2)C1 ZINC001025393898 627672498 /nfs/dbraw/zinc/67/24/98/627672498.db2.gz INSKXQHBNLBFCT-KBPBESRZSA-N 0 3 274.364 2.052 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001018856437 627677343 /nfs/dbraw/zinc/67/73/43/627677343.db2.gz FDHAQZNLJQTVLC-ULQDDVLXSA-N 0 3 282.387 2.004 20 30 CEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2[nH]ccc2C)C1 ZINC001025411211 627681959 /nfs/dbraw/zinc/68/19/59/627681959.db2.gz DHIJUBRAECCAKB-GJZGRUSLSA-N 0 3 287.407 2.177 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(CC)ccn2)C1 ZINC001025424847 627687700 /nfs/dbraw/zinc/68/77/00/627687700.db2.gz JBNDFWPADKSLLI-GOEBONIOSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(C)nc(C)c2)C1 ZINC001025432973 627692413 /nfs/dbraw/zinc/69/24/13/627692413.db2.gz WMKQHUVGFQNKNO-HOTGVXAUSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001025530205 627739241 /nfs/dbraw/zinc/73/92/41/627739241.db2.gz 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/nfs/dbraw/zinc/27/64/14/628276414.db2.gz YYMRHEXZEGOQAH-OFLPRAFFSA-N 0 3 286.375 2.085 20 30 CEEDHN Cc1cc(C#N)cc(C)c1CN1CC[C@@H](N2CCOC2=O)C1 ZINC000930967191 628322908 /nfs/dbraw/zinc/32/29/08/628322908.db2.gz UJENALDJFRUKHD-OAHLLOKOSA-N 0 3 299.374 2.202 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)Cc2ccoc2)c1 ZINC000123605579 628385767 /nfs/dbraw/zinc/38/57/67/628385767.db2.gz UBTIACSWBSGFEG-CQSZACIVSA-N 0 3 282.299 2.478 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccccc1OCc1cccnc1 ZINC000821207468 634655872 /nfs/dbraw/zinc/65/58/72/634655872.db2.gz SMRSJVKAVDTJPK-KRWDZBQOSA-N 0 3 296.370 2.134 20 30 CEEDHN COC(=O)c1c[nH]c(CNCCCC#N)c1C1CC1 ZINC000893513994 628667825 /nfs/dbraw/zinc/66/78/25/628667825.db2.gz IYFSRHZDIOMUCV-UHFFFAOYSA-N 0 3 261.325 2.072 20 30 CEEDHN CN1C[C@@H]2CCN(c3nc(C(C)(C)C)ccc3C#N)[C@@H]2C1 ZINC000893941712 629056673 /nfs/dbraw/zinc/05/66/73/629056673.db2.gz VTSRQJIEOUMGPR-UONOGXRCSA-N 0 3 284.407 2.391 20 30 CEEDHN COC(=O)[C@@H]1[C@@H](CN[C@H](C)c2ccc(C#N)cc2)C1(F)F 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CEEDHN CN1CC[C@@H]2CC[C@H](C1)N2c1nc(C#N)c(Cl)s1 ZINC000895192431 630023091 /nfs/dbraw/zinc/02/30/91/630023091.db2.gz IHFKEDPDWSEQMP-DTWKUNHWSA-N 0 3 282.800 2.341 20 30 CEEDHN C#C[C@H](NCc1cnc(F)c(C)c1)C1CCOCC1 ZINC000895436935 630189545 /nfs/dbraw/zinc/18/95/45/630189545.db2.gz VCQCPCOBVNRPER-AWEZNQCLSA-N 0 3 262.328 2.047 20 30 CEEDHN C#CC[C@H](CCOC)NCc1ccc(OCC)o1 ZINC000895668521 630298779 /nfs/dbraw/zinc/29/87/79/630298779.db2.gz LEUAESAOSWXQIV-GFCCVEGCSA-N 0 3 251.326 2.196 20 30 CEEDHN C#C[C@@H](NC(=O)N(C)[C@H]1CCCN(C)C1)c1ccccc1 ZINC000895686269 630301506 /nfs/dbraw/zinc/30/15/06/630301506.db2.gz BARLHZWIWVCHQY-JKSUJKDBSA-N 0 3 285.391 2.097 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1N[C@H]1CCN(C)[C@@H]1C ZINC000895735373 630325869 /nfs/dbraw/zinc/32/58/69/630325869.db2.gz FBGNNYNSLHVIKL-YGRLFVJLSA-N 0 3 257.337 2.265 20 30 CEEDHN C#CCC1(O)CCN(Cc2nccc3c2CCCC3)CC1 ZINC000896025390 630438327 /nfs/dbraw/zinc/43/83/27/630438327.db2.gz KVMYBWPBOWGXOP-UHFFFAOYSA-N 0 3 284.403 2.311 20 30 CEEDHN C#CC1(N[C@H]2CCC3(C[C@@H]2F)OCCO3)CCCC1 ZINC000896025721 630439267 /nfs/dbraw/zinc/43/92/67/630439267.db2.gz QEMQNZCXLOETHD-STQMWFEESA-N 0 3 267.344 2.156 20 30 CEEDHN C#C[C@H]1CC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCCN3C)CC1 ZINC000896325911 630528149 /nfs/dbraw/zinc/52/81/49/630528149.db2.gz ZYMWTVVLBGAQJZ-VGWMRTNUSA-N 0 3 289.423 2.057 20 30 CEEDHN N#Cc1cccc(CNC[C@@]2(c3ccccc3)C[C@@H](O)C2)n1 ZINC000896451493 630563846 /nfs/dbraw/zinc/56/38/46/630563846.db2.gz FKQUJXJIYZTYSE-IYARVYRRSA-N 0 3 293.370 2.136 20 30 CEEDHN C[C@H](Cc1cnccn1)N[C@H](C)c1cc(C#N)ccn1 ZINC000902779165 634824175 /nfs/dbraw/zinc/82/41/75/634824175.db2.gz POOWGWNWQHYJRV-VXGBXAGGSA-N 0 3 267.336 2.025 20 30 CEEDHN CC[C@H](C)[C@@](C)(O)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902802605 634828233 /nfs/dbraw/zinc/82/82/33/634828233.db2.gz PIACDHFRVTWWAK-HUBLWGQQSA-N 0 3 261.369 2.401 20 30 CEEDHN CC[C@H](C)[C@@](C)(O)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902802608 634829061 /nfs/dbraw/zinc/82/90/61/634829061.db2.gz 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/nfs/dbraw/zinc/06/83/58/631068358.db2.gz FRWWAQLGBBKIBO-ZOWXZIJZSA-N 0 3 256.353 2.444 20 30 CEEDHN CCCCCCCS(=O)(=O)NC1(CN(C)C)CCC1 ZINC000799821312 631082690 /nfs/dbraw/zinc/08/26/90/631082690.db2.gz PEXPLKFFDFQSOC-UHFFFAOYSA-N 0 3 290.473 2.361 20 30 CEEDHN CC#CC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000801160393 631227798 /nfs/dbraw/zinc/22/77/98/631227798.db2.gz CAKSQGMCZGGVJZ-DOMZBBRYSA-N 0 3 276.405 2.271 20 30 CEEDHN CCc1ccc(CNCCNc2ccc(C#N)cn2)o1 ZINC000897398442 631287215 /nfs/dbraw/zinc/28/72/15/631287215.db2.gz DYIHWEWXKMJLMH-UHFFFAOYSA-N 0 3 270.336 2.310 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000801917904 631352418 /nfs/dbraw/zinc/35/24/18/631352418.db2.gz BIQWBMWKOLBSCV-AWEZNQCLSA-N 0 3 299.374 2.330 20 30 CEEDHN C[C@H](C#N)OCCN1CCC(OC2CCCC2)CC1 ZINC000801914805 631353351 /nfs/dbraw/zinc/35/33/51/631353351.db2.gz GRYNJQUIRTXYJB-CYBMUJFWSA-N 0 3 266.385 2.339 20 30 CEEDHN Cc1cccc([C@H]2CCCN2CCO[C@H](C)C#N)n1 ZINC000801929747 631359454 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ZINC000806592734 631757672 /nfs/dbraw/zinc/75/76/72/631757672.db2.gz CSAUBPHXPHMCDT-CYBMUJFWSA-N 0 3 281.400 2.079 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc3ncccc32)C1 ZINC000989260895 631762074 /nfs/dbraw/zinc/76/20/74/631762074.db2.gz QCOPOGHGZQNGPS-ZIAGYGMSSA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCCCNC(=O)N(CCC)CCN1CCCCC1 ZINC000806877174 631785957 /nfs/dbraw/zinc/78/59/57/631785957.db2.gz PBYXYNLGPWBDHE-UHFFFAOYSA-N 0 3 279.428 2.307 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000989384294 631803933 /nfs/dbraw/zinc/80/39/33/631803933.db2.gz NKEADUKXOBWQQD-JQWIXIFHSA-N 0 3 294.757 2.305 20 30 CEEDHN O=C1C=COC2(CCN(Cc3cc(F)ccc3O)CC2)C1 ZINC000897602900 631810752 /nfs/dbraw/zinc/81/07/52/631810752.db2.gz ZHWVLUIYUMHTBA-UHFFFAOYSA-N 0 3 291.322 2.369 20 30 CEEDHN C[C@H](CC(C)(C)C#N)NCc1cnn(CCF)c1 ZINC000897731633 631906760 /nfs/dbraw/zinc/90/67/60/631906760.db2.gz CGKURRXBCRSLON-LLVKDONJSA-N 0 3 252.337 2.271 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3occc3s2)C1 ZINC000989443019 631931377 /nfs/dbraw/zinc/93/13/77/631931377.db2.gz MXMIAZTYZWTAOZ-GHMZBOCLSA-N 0 3 288.372 2.320 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(F)cc(Cl)c2)C1 ZINC000989475603 632181484 /nfs/dbraw/zinc/18/14/84/632181484.db2.gz AVNJUSHOLWDPGE-IINYFYTJSA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccn2C2CCCC2)C1 ZINC000989616631 632213068 /nfs/dbraw/zinc/21/30/68/632213068.db2.gz YIZYFAAQSPWTSO-CABCVRRESA-N 0 3 299.418 2.429 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC000989842937 632252701 /nfs/dbraw/zinc/25/27/01/632252701.db2.gz YIBOCHBVYQIFST-BULQSVBWSA-N 0 3 288.435 2.415 20 30 CEEDHN CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@@](C)(C#N)C2)C1 ZINC000810673063 632255378 /nfs/dbraw/zinc/25/53/78/632255378.db2.gz SWEXNMLMQJOGLQ-JKSUJKDBSA-N 0 3 295.402 2.351 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)C3CCCC3)CCC[C@H]12 ZINC000989904115 632273730 /nfs/dbraw/zinc/27/37/30/632273730.db2.gz YHYMDAVHQJJIDX-RDJZCZTQSA-N 0 3 274.408 2.313 20 30 CEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cc(C)on3)CCC[C@@H]12 ZINC000989921943 632279888 /nfs/dbraw/zinc/27/98/88/632279888.db2.gz LKQHQHZZLFELKY-ZBFHGGJFSA-N 0 3 289.379 2.286 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2ccc3cccnc3n2)C1 ZINC001014508674 632319573 /nfs/dbraw/zinc/31/95/73/632319573.db2.gz NMGVHERLJJEKBX-AWEZNQCLSA-N 0 3 296.374 2.010 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3cc[nH]c3C)CCC[C@@H]12 ZINC000990158817 632321972 /nfs/dbraw/zinc/32/19/72/632321972.db2.gz ACNPQIOKLBWKDV-GDBMZVCRSA-N 0 3 273.380 2.236 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CC3(C)C)CCC[C@@H]12 ZINC000990267031 632332085 /nfs/dbraw/zinc/33/20/85/632332085.db2.gz PAGABJFGZMQOFR-WOSRLPQWSA-N 0 3 262.397 2.332 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(F)cn3)CCC[C@H]12 ZINC000990325778 632335849 /nfs/dbraw/zinc/33/58/49/632335849.db2.gz HHYXBSSTVZFCRU-HOCLYGCPSA-N 0 3 289.354 2.134 20 30 CEEDHN C=CCN(CCc1ccco1)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925330049 632335884 /nfs/dbraw/zinc/33/58/84/632335884.db2.gz AWARTFVXJFKOHW-HIFRSBDPSA-N 0 3 291.395 2.112 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3c(C)ccn3C)CCC[C@H]12 ZINC000990438858 632356482 /nfs/dbraw/zinc/35/64/82/632356482.db2.gz SQQXPBNJBRVDMK-YJBOKZPZSA-N 0 3 299.418 2.084 20 30 CEEDHN CN(C)c1ncc(C=NNCCCc2ccccc2)n1C ZINC000811642131 632411813 /nfs/dbraw/zinc/41/18/13/632411813.db2.gz YTRJGAKKIMTHEW-UHFFFAOYSA-N 0 3 285.395 2.042 20 30 CEEDHN C=C(C)CNN=Cc1ccc(N(CC)CCO)cc1C ZINC000811652668 632414283 /nfs/dbraw/zinc/41/42/83/632414283.db2.gz SWFSEJRIZHCPHZ-UHFFFAOYSA-N 0 3 275.396 2.313 20 30 CEEDHN CC[C@@H](O)CNN=C(C)c1ccc(N(C)CC)cc1 ZINC000811655560 632416520 /nfs/dbraw/zinc/41/65/20/632416520.db2.gz QGTASOPKLZSIRN-OAHLLOKOSA-N 0 3 263.385 2.227 20 30 CEEDHN C=CCCNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000898662407 632573136 /nfs/dbraw/zinc/57/31/36/632573136.db2.gz QPKBXWOOOXOOBT-OAHLLOKOSA-N 0 3 276.380 2.427 20 30 CEEDHN C#CCOc1ccccc1CN(CC)[C@H]1CCOC1 ZINC000812780323 632576996 /nfs/dbraw/zinc/57/69/96/632576996.db2.gz AEOWMTOEMXQZOM-HNNXBMFYSA-N 0 3 259.349 2.309 20 30 CEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCCC#N)c1 ZINC000813089262 632618527 /nfs/dbraw/zinc/61/85/27/632618527.db2.gz QCWWHKCUCOTHCK-CQSZACIVSA-N 0 3 283.331 2.014 20 30 CEEDHN CCc1ccc(C#CC(=O)NCCN2CCCCC2)cc1 ZINC000814506706 632851291 /nfs/dbraw/zinc/85/12/91/632851291.db2.gz CUQUYUALXIEBMH-UHFFFAOYSA-N 0 3 284.403 2.203 20 30 CEEDHN CC(C)(CO)CNN=C1CC[C@H]2CNc3cccc1c32 ZINC000814922637 632928793 /nfs/dbraw/zinc/92/87/93/632928793.db2.gz QQBKZDPOBAAJLR-NSHDSACASA-N 0 3 273.380 2.302 20 30 CEEDHN N#CCCOCCN[C@@H](Cn1cccn1)c1ccccc1 ZINC000815071698 632954885 /nfs/dbraw/zinc/95/48/85/632954885.db2.gz QTGHCWROTGQKMK-INIZCTEOSA-N 0 3 284.363 2.144 20 30 CEEDHN CCc1ccc(C#CC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000815772648 633058961 /nfs/dbraw/zinc/05/89/61/633058961.db2.gz OBGXWCOLZAFQJO-PBHICJAKSA-N 0 3 296.414 2.342 20 30 CEEDHN C=CCCC[C@@H](N)c1nc(C2(N)CCCC2)no1 ZINC000900005887 633170524 /nfs/dbraw/zinc/17/05/24/633170524.db2.gz MZSBPJAMRSIHAO-SNVBAGLBSA-N 0 3 250.346 2.154 20 30 CEEDHN C=CC[C@H](NC(=O)[C@@H](CC)N(C)C)c1ccncc1 ZINC000840350858 633750316 /nfs/dbraw/zinc/75/03/16/633750316.db2.gz LUFHGHVRUNRKGX-UONOGXRCSA-N 0 3 261.369 2.155 20 30 CEEDHN C#CCOc1ccc([C@H](C)N[C@H]2CNCCC2(F)F)cc1 ZINC000817980406 633823373 /nfs/dbraw/zinc/82/33/73/633823373.db2.gz LCLWMYWDUGMPNV-WFASDCNBSA-N 0 3 294.345 2.346 20 30 CEEDHN N#Cc1csc(CN2CCC[C@@H](C3OCCO3)C2)c1 ZINC000179374322 633857835 /nfs/dbraw/zinc/85/78/35/633857835.db2.gz MMGSQKUEUYTTMT-GFCCVEGCSA-N 0 3 278.377 2.205 20 30 CEEDHN N#CCC1(CNC[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000819281455 634127136 /nfs/dbraw/zinc/12/71/36/634127136.db2.gz URMDGXWAFGGQLP-CYBMUJFWSA-N 0 3 266.291 2.282 20 30 CEEDHN CC(C)(CN[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CC1 ZINC000901641740 634223505 /nfs/dbraw/zinc/22/35/05/634223505.db2.gz BWZKRGBLZAZNOV-CQSZACIVSA-N 0 3 271.364 2.110 20 30 CEEDHN CCOC(CCN[C@@H](C)c1cc(C#N)ccn1)OCC ZINC000902971413 634923679 /nfs/dbraw/zinc/92/36/79/634923679.db2.gz XZNGGSPKMSIVDB-LBPRGKRZSA-N 0 3 277.368 2.393 20 30 CEEDHN CCC[C@H](C)[C@@H](CO)N[C@H](C)c1cc(C#N)ccn1 ZINC000903039634 634942324 /nfs/dbraw/zinc/94/23/24/634942324.db2.gz WFUVIFALACPZCX-YWPYICTPSA-N 0 3 261.369 2.401 20 30 CEEDHN CC(C)N1CCC[C@H]1C(=O)N1CCc2cc(C#N)ccc21 ZINC000822799283 634998969 /nfs/dbraw/zinc/99/89/69/634998969.db2.gz GDODCLKTGMFYTF-INIZCTEOSA-N 0 3 283.375 2.320 20 30 CEEDHN C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823888708 635301092 /nfs/dbraw/zinc/30/10/92/635301092.db2.gz UMSLMCFHCDKOQT-MNOVXSKESA-N 0 3 257.341 2.482 20 30 CEEDHN C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823888708 635301098 /nfs/dbraw/zinc/30/10/98/635301098.db2.gz UMSLMCFHCDKOQT-MNOVXSKESA-N 0 3 257.341 2.482 20 30 CEEDHN C#C[C@H](C)N(C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000825710652 635699897 /nfs/dbraw/zinc/69/98/97/635699897.db2.gz WQCLSUZGNSFWLJ-BBRMVZONSA-N 0 3 259.349 2.308 20 30 CEEDHN CC1/C(=C\c2ccc(N(C)C)cc2)C(=O)c2ncnn21 ZINC000905083115 635798357 /nfs/dbraw/zinc/79/83/57/635798357.db2.gz YYHANBCTWKNBLM-SEEODLKFSA-N 0 3 268.320 2.185 20 30 CEEDHN CCCn1nc(C)c(/C=C2\C(=O)c3ncnn3C2C)c1C ZINC000905084991 635799257 /nfs/dbraw/zinc/79/92/57/635799257.db2.gz KYWGRHVQMXEKTI-HKMIMPICSA-N 0 3 285.351 2.342 20 30 CEEDHN CCc1onc(C)c1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000905629706 636352663 /nfs/dbraw/zinc/35/26/63/636352663.db2.gz FUHLMHPXWNKKEY-OAHLLOKOSA-N 0 3 285.347 2.240 20 30 CEEDHN C#C[C@@H](NCc1c(C)nn(CCC)c1C)C1CCOCC1 ZINC000827565268 636354763 /nfs/dbraw/zinc/35/47/63/636354763.db2.gz KFCRHNFUWMZZKJ-QGZVFWFLSA-N 0 3 289.423 2.428 20 30 CEEDHN C#C[C@@H](NCc1cn(C)nc1C(C)(C)C)C1CCOCC1 ZINC000827566635 636356112 /nfs/dbraw/zinc/35/61/12/636356112.db2.gz XCQOTUKGPHOXBB-OAHLLOKOSA-N 0 3 289.423 2.236 20 30 CEEDHN COc1ccc(-c2cnc([C@H]3CCCN3)nc2)c(C#N)c1 ZINC000906175932 636637598 /nfs/dbraw/zinc/63/75/98/636637598.db2.gz DFFAGSKYHKMDIS-OAHLLOKOSA-N 0 3 280.331 2.448 20 30 CEEDHN C=CCC1(NCc2cn(CCC(C)=O)nn2)CCCC1 ZINC000906317034 636700636 /nfs/dbraw/zinc/70/06/36/636700636.db2.gz XIYSJNLECNHJEZ-UHFFFAOYSA-N 0 3 276.384 2.236 20 30 CEEDHN C#C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000828967363 636740360 /nfs/dbraw/zinc/74/03/60/636740360.db2.gz WSQWYBNUSWXUSS-KKUMJFAQSA-N 0 3 262.397 2.167 20 30 CEEDHN CC(C)N1CCC[C@@H](NC(=O)C#Cc2cccs2)C1 ZINC000829539272 636877471 /nfs/dbraw/zinc/87/74/71/636877471.db2.gz PMWSTEFKNVOGFU-CYBMUJFWSA-N 0 3 276.405 2.089 20 30 CEEDHN C#CCCCCNC(=O)C(C)(C)N1CCCCC1 ZINC000906970073 636904505 /nfs/dbraw/zinc/90/45/05/636904505.db2.gz BIQANHGIRUEAKD-UHFFFAOYSA-N 0 3 250.386 2.171 20 30 CEEDHN C#CC[C@H]1CCCN(Cc2ccc(C(=O)OC)o2)C1 ZINC000829773304 636926734 /nfs/dbraw/zinc/92/67/34/636926734.db2.gz CLYSRIMYYXAMQO-LBPRGKRZSA-N 0 3 261.321 2.302 20 30 CEEDHN C=C1CCC(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000830997902 637213637 /nfs/dbraw/zinc/21/36/37/637213637.db2.gz FVIFSGUIVYFEDJ-CQSZACIVSA-N 0 3 252.402 2.435 20 30 CEEDHN C#CCN(C)CCCNC(=O)CC(C)(C)CC(F)F ZINC000908435604 637342256 /nfs/dbraw/zinc/34/22/56/637342256.db2.gz AAASESWOKWZMIP-UHFFFAOYSA-N 0 3 274.355 2.129 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000876561651 650330140 /nfs/dbraw/zinc/33/01/40/650330140.db2.gz QJVRQSSGQKHYLL-UONOGXRCSA-N 0 3 278.783 2.130 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OC)cc1C ZINC000876580679 650344314 /nfs/dbraw/zinc/34/43/14/650344314.db2.gz QEXFQHATYKGXHF-LLVKDONJSA-N 0 3 268.744 2.412 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000876602716 650355522 /nfs/dbraw/zinc/35/55/22/650355522.db2.gz ULUKRSUICSAMDA-ZDUSSCGKSA-N 0 3 296.773 2.443 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc(CC)c(C)s1 ZINC000876603871 650355812 /nfs/dbraw/zinc/35/58/12/650355812.db2.gz CYZLYVWLOPJZEY-MRVPVSSYSA-N 0 3 273.789 2.422 20 30 CEEDHN CCCCCCCC(=O)NC[C@@H]1CCCCN1CCO ZINC000833565999 637736371 /nfs/dbraw/zinc/73/63/71/637736371.db2.gz OSNHORICSBJOQQ-HNNXBMFYSA-N 0 3 284.444 2.310 20 30 CEEDHN CCN(CCC(=O)OC)Cc1cc(C#N)ccc1N(C)C ZINC000876630551 650367641 /nfs/dbraw/zinc/36/76/41/650367641.db2.gz COWCAZLNWZXZBN-UHFFFAOYSA-N 0 3 289.379 2.009 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCc3cccc(O)c32)nc1 ZINC000834773888 637947161 /nfs/dbraw/zinc/94/71/61/637947161.db2.gz KJHFTSYVRHTXDJ-CQSZACIVSA-N 0 3 265.316 2.436 20 30 CEEDHN C=CCC1(C(=O)N2CCCN(CC)C[C@H]2C)CCOCC1 ZINC000910266419 637963063 /nfs/dbraw/zinc/96/30/63/637963063.db2.gz NIJSUVRKRHHWTE-OAHLLOKOSA-N 0 3 294.439 2.302 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](CC(C)C)C1 ZINC000876656641 650381019 /nfs/dbraw/zinc/38/10/19/650381019.db2.gz SMTOBRPUVIXWEP-VXGBXAGGSA-N 0 3 258.793 2.351 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@@H](N)CC(=C)Cl ZINC000876658426 650382495 /nfs/dbraw/zinc/38/24/95/650382495.db2.gz WCFOWQWBTTXZLE-ZDUSSCGKSA-N 0 3 294.782 2.338 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1cc(F)ccc1F ZINC000876658549 650382694 /nfs/dbraw/zinc/38/26/94/650382694.db2.gz YXGBIFOQVBNLAR-LBPRGKRZSA-N 0 3 288.725 2.093 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCN2 ZINC000911717294 638370132 /nfs/dbraw/zinc/37/01/32/638370132.db2.gz BQPHVNMXXBEOGA-ZDUSSCGKSA-N 0 3 259.353 2.277 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)c1nc(C)cs1 ZINC000876754826 650421347 /nfs/dbraw/zinc/42/13/47/650421347.db2.gz FUVYBVOKFJGVMW-UWVGGRQHSA-N 0 3 287.816 2.489 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OC)cc1OC ZINC000911951387 638484921 /nfs/dbraw/zinc/48/49/21/638484921.db2.gz KPLQGYDLSMMDAK-LBPRGKRZSA-N 0 3 278.352 2.326 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccc(F)cc1 ZINC000912029839 638517578 /nfs/dbraw/zinc/51/75/78/638517578.db2.gz QLUNNUJLCQQWKZ-AWEZNQCLSA-N 0 3 264.344 2.468 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCCc1ccccc1F ZINC000912067094 638530899 /nfs/dbraw/zinc/53/08/99/638530899.db2.gz ANNCCFGOKUZIAP-CQSZACIVSA-N 0 3 264.344 2.168 20 30 CEEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccnn1C ZINC000912270001 638622113 /nfs/dbraw/zinc/62/21/13/638622113.db2.gz JXPJRZVPMFTMRJ-GFCCVEGCSA-N 0 3 266.389 2.437 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2nccnc2c1 ZINC000912271948 638622702 /nfs/dbraw/zinc/62/27/02/638622702.db2.gz HUJCNECKBJXOGF-LBPRGKRZSA-N 0 3 270.336 2.252 20 30 CEEDHN CC(C)(C(=O)N1CCC[C@H](CC#N)C1)N1CCCCC1 ZINC000912297418 638634948 /nfs/dbraw/zinc/63/49/48/638634948.db2.gz PXHHIBWKASCVBY-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000836489347 638649639 /nfs/dbraw/zinc/64/96/39/638649639.db2.gz YLKYSGLRFPGYER-GJZGRUSLSA-N 0 3 279.428 2.162 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NC[C@H](O)c1ccccc1Cl ZINC000912369929 638670240 /nfs/dbraw/zinc/67/02/40/638670240.db2.gz TVRPYAKJXDWBBW-KBPBESRZSA-N 0 3 296.798 2.173 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C)c1O ZINC000876805134 650440596 /nfs/dbraw/zinc/44/05/96/650440596.db2.gz YWVYURZYVUJKTN-SECBINFHSA-N 0 3 254.717 2.109 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1c1cc(C)on1 ZINC000912467314 638694197 /nfs/dbraw/zinc/69/41/97/638694197.db2.gz LZRRQCZYZISHID-JSGCOSHPSA-N 0 3 277.368 2.330 20 30 CEEDHN CC[C@@H]1CN(C(=O)Cc2c(C)cc(C#N)cc2C)C[C@H](C)N1 ZINC000912730813 639006185 /nfs/dbraw/zinc/00/61/85/639006185.db2.gz AVWHCUHPWPTRJK-GOEBONIOSA-N 0 3 299.418 2.317 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2cc(F)ccc2C1 ZINC000876881476 650471586 /nfs/dbraw/zinc/47/15/86/650471586.db2.gz HIYZHZCINUETLO-ZDUSSCGKSA-N 0 3 282.746 2.180 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2c(cccc2OC)C1 ZINC000876885926 650473948 /nfs/dbraw/zinc/47/39/48/650473948.db2.gz RWBWKVDGOLRIHI-CYBMUJFWSA-N 0 3 294.782 2.050 20 30 CEEDHN CC#CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC000913100269 639201630 /nfs/dbraw/zinc/20/16/30/639201630.db2.gz QJKFFTSDHREVRT-HOCLYGCPSA-N 0 3 270.376 2.037 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1sccc1C ZINC000876903936 650479619 /nfs/dbraw/zinc/47/96/19/650479619.db2.gz PUCBWNTYUXUSGU-JTQLQIEISA-N 0 3 272.801 2.185 20 30 CEEDHN C#CCN1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000044756420 639360632 /nfs/dbraw/zinc/36/06/32/639360632.db2.gz QWWGMWAMRHJPNS-UHFFFAOYSA-N 0 3 280.371 2.296 20 30 CEEDHN C=C(C)CNC(=S)NC[C@H](c1ccccc1)N(C)C ZINC000057435199 639446835 /nfs/dbraw/zinc/44/68/35/639446835.db2.gz YBTMIGLLEDDCDT-CQSZACIVSA-N 0 3 277.437 2.330 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)c1ccc(OC)cc1 ZINC000876943455 650498251 /nfs/dbraw/zinc/49/82/51/650498251.db2.gz CPGCFPSZQYRUJL-GFCCVEGCSA-N 0 3 268.744 2.128 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C2CCC2)CC1 ZINC000876962967 650509102 /nfs/dbraw/zinc/50/91/02/650509102.db2.gz XLJKBDQKVVKGPU-ZDUSSCGKSA-N 0 3 270.804 2.495 20 30 CEEDHN C=CC[C@@H](Cc1ccccc1)NCc1cnn(C)n1 ZINC000840971912 639606142 /nfs/dbraw/zinc/60/61/42/639606142.db2.gz UVZNKPUYWVUXIU-AWEZNQCLSA-N 0 3 256.353 2.092 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)CCSC ZINC000171480804 639721677 /nfs/dbraw/zinc/72/16/77/639721677.db2.gz KPCBUZSTSNIFIM-LLVKDONJSA-N 0 3 270.398 2.145 20 30 CEEDHN C[C@H](O)CN(C)N=C/C=C\c1ccc(N(C)C)cc1 ZINC000841648276 639818707 /nfs/dbraw/zinc/81/87/07/639818707.db2.gz AVWXZCUCBXDPDE-TUZXDBCRSA-N 0 3 261.369 2.064 20 30 CEEDHN C[C@@H](O)CN(C)N=Cc1ccccc1N1CCCCC1 ZINC000841653388 639821896 /nfs/dbraw/zinc/82/18/96/639821896.db2.gz HWSDXHHXKWYDJV-CQSZACIVSA-N 0 3 275.396 2.323 20 30 CEEDHN CC[C@](C)(NCC(=O)NCCC#N)c1ccc(F)cc1 ZINC000879129777 651248007 /nfs/dbraw/zinc/24/80/07/651248007.db2.gz ZXVDTRMYWIXXRF-HNNXBMFYSA-N 0 3 277.343 2.070 20 30 CEEDHN C#CCSCCNCc1ccc(OC)cc1F ZINC000231946926 639887147 /nfs/dbraw/zinc/88/71/47/639887147.db2.gz CBQQRYPYMPKUTR-UHFFFAOYSA-N 0 3 253.342 2.290 20 30 CEEDHN C#CCCCN[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000174273327 639915673 /nfs/dbraw/zinc/91/56/73/639915673.db2.gz LILOWAUUKWMXHK-HNNXBMFYSA-N 0 3 274.339 2.148 20 30 CEEDHN CCCCCCCCCN(C)C(=O)NC[C@@H]1CNCCO1 ZINC000842012433 639919065 /nfs/dbraw/zinc/91/90/65/639919065.db2.gz WTRFEDWDSNNOAE-HNNXBMFYSA-N 0 3 299.459 2.367 20 30 CEEDHN C=CCOCCON=Cc1ccc(N2CCOCC2)cc1 ZINC000842017337 639919854 /nfs/dbraw/zinc/91/98/54/639919854.db2.gz LYDRMJXJXWZQEZ-UHFFFAOYSA-N 0 3 290.363 2.076 20 30 CEEDHN N#Cc1ccc(OCC[NH2+]Cc2ccccc2[O-])cc1 ZINC000174560558 639934665 /nfs/dbraw/zinc/93/46/65/639934665.db2.gz ZKJLUNIRBXAILI-UHFFFAOYSA-N 0 3 268.316 2.432 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)c3cc[nH]c3CCC)CCC[C@@H]12 ZINC000992129515 639969128 /nfs/dbraw/zinc/96/91/28/639969128.db2.gz MUWQVQYFGDGHPB-SJLPKXTDSA-N 0 3 299.418 2.327 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3c[nH]cc3C)CCC[C@H]12 ZINC000992477807 640111299 /nfs/dbraw/zinc/11/12/99/640111299.db2.gz NMVUCLZPZLJXML-HOCLYGCPSA-N 0 3 273.380 2.236 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CCC(=O)C3)nc21 ZINC000842723542 640159904 /nfs/dbraw/zinc/15/99/04/640159904.db2.gz ZGHFMDVQYSOPNB-PWSUYJOCSA-N 0 3 281.315 2.417 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877095594 650569516 /nfs/dbraw/zinc/56/95/16/650569516.db2.gz RMJMBUIEAWPBLG-IINYFYTJSA-N 0 3 290.798 2.179 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000877088765 650566866 /nfs/dbraw/zinc/56/68/66/650566866.db2.gz HGVKBHIUBIGXLH-GVXVVHGQSA-N 0 3 256.777 2.247 20 30 CEEDHN C#Cc1ccc(CN2CC[C@@H](Nc3ncccn3)C2)cc1 ZINC000843414396 640419241 /nfs/dbraw/zinc/41/92/41/640419241.db2.gz BUXSYTMCTCNLRW-MRXNPFEDSA-N 0 3 278.359 2.144 20 30 CEEDHN C=C[C@@H](C)NC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000843441051 640431747 /nfs/dbraw/zinc/43/17/47/640431747.db2.gz QYIHCCUUBMFIPF-KCJUWKMLSA-N 0 3 267.760 2.124 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCOc2cc(F)ccc2C1 ZINC000877118564 650580825 /nfs/dbraw/zinc/58/08/25/650580825.db2.gz GLEZUBORJURZSC-GFCCVEGCSA-N 0 3 298.745 2.017 20 30 CEEDHN C[C@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877118613 650580932 /nfs/dbraw/zinc/58/09/32/650580932.db2.gz HZVVBZFRMQXVQO-CABZTGNLSA-N 0 3 265.744 2.264 20 30 CEEDHN CC(CN1CCCCCC1)=NOC[C@@H]1CCOC1 ZINC000788034813 640502512 /nfs/dbraw/zinc/50/25/12/640502512.db2.gz VRYBENWRTXXSGJ-CQSZACIVSA-N 0 3 254.374 2.291 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000993175120 640506489 /nfs/dbraw/zinc/50/64/89/640506489.db2.gz YSNGBFMJOXKBNX-GXTWGEPZSA-N 0 3 286.379 2.045 20 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SMEWOHXWVPNSLB-WFASDCNBSA-N 0 3 290.411 2.131 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(F)c[nH]2)[C@H]1C ZINC000993606446 640659141 /nfs/dbraw/zinc/65/91/41/640659141.db2.gz RLSGYVWSNOFMDE-YPMHNXCESA-N 0 3 279.359 2.313 20 30 CEEDHN C=CCN1CCC[C@H](NC(=O)c2cccc3n[nH]cc32)[C@@H]1C ZINC000993658924 640667668 /nfs/dbraw/zinc/66/76/68/640667668.db2.gz IOSNZHIVIVOXMB-WFASDCNBSA-N 0 3 298.390 2.332 20 30 CEEDHN C[C@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1cccc(C#N)c1 ZINC000844314234 640673090 /nfs/dbraw/zinc/67/30/90/640673090.db2.gz YFMQNSWIYZUEII-XHDPSFHLSA-N 0 3 285.347 2.192 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001015692303 640688104 /nfs/dbraw/zinc/68/81/04/640688104.db2.gz FYECKWDEPIAGMK-STQMWFEESA-N 0 3 276.405 2.065 20 30 CEEDHN COc1ccc(C2CCN(CCO[C@@H](C)C#N)CC2)nc1 ZINC000844352550 640688621 /nfs/dbraw/zinc/68/86/21/640688621.db2.gz ZZMXHNCUCVAPEA-ZDUSSCGKSA-N 0 3 289.379 2.198 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)CCC(C)(F)F ZINC000916878432 640827377 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/nfs/dbraw/zinc/68/71/31/642687131.db2.gz HDVHZXYMBBIOTQ-UHFFFAOYSA-N 0 3 297.402 2.296 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2sccc2C)CC1 ZINC001001136949 642688025 /nfs/dbraw/zinc/68/80/25/642688025.db2.gz GLADWNNCJCXHFK-UHFFFAOYSA-N 0 3 276.405 2.132 20 30 CEEDHN C=CCOCCC[NH2+]Cc1c([O-])cccc1OC ZINC000850378077 642689839 /nfs/dbraw/zinc/68/98/39/642689839.db2.gz QUWSIGSGZSYNJP-UHFFFAOYSA-N 0 3 251.326 2.083 20 30 CEEDHN C=CC[NH+]1CCC(CNC(=O)c2ccccc2[O-])CC1 ZINC001001207966 642702449 /nfs/dbraw/zinc/70/24/49/642702449.db2.gz CXZUQHXACWGICV-UHFFFAOYSA-N 0 3 274.364 2.020 20 30 CEEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCCC[C@H]2OC)CC1 ZINC001001487735 642726353 /nfs/dbraw/zinc/72/63/53/642726353.db2.gz GTDOSUVGJHHFBK-JKSUJKDBSA-N 0 3 292.423 2.126 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2c(C)oc(C)c2C)CC1 ZINC001001610349 642730412 /nfs/dbraw/zinc/73/04/12/642730412.db2.gz YQDVQAZYOKGFSY-UHFFFAOYSA-N 0 3 288.391 2.280 20 30 CEEDHN CC#CCN1CCC(CNC(=O)c2ncc(C)cc2C)CC1 ZINC001001663681 642732718 /nfs/dbraw/zinc/73/27/18/642732718.db2.gz NFWFTTDRDMYAHL-UHFFFAOYSA-N 0 3 299.418 2.164 20 30 CEEDHN C#CCN1CCC(CNC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001001741222 642735835 /nfs/dbraw/zinc/73/58/35/642735835.db2.gz IGSFFAWNNGWOST-HNNXBMFYSA-N 0 3 276.424 2.274 20 30 CEEDHN C#CCN1CCC(CNC(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC001001810393 642738814 /nfs/dbraw/zinc/73/88/14/642738814.db2.gz ZESKMEACOIGQIA-HOTGVXAUSA-N 0 3 276.424 2.274 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2cc(F)cc(F)c2)CC1 ZINC001002102689 642754778 /nfs/dbraw/zinc/75/47/78/642754778.db2.gz OMNYMUNOBIYVJI-UHFFFAOYSA-N 0 3 292.329 2.040 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCF ZINC000850739659 642768750 /nfs/dbraw/zinc/76/87/50/642768750.db2.gz XIXAIKKLDBZYDD-JTQLQIEISA-N 0 3 259.284 2.499 20 30 CEEDHN CO[C@H](C(=O)C(C#N)c1cc(C)nc(C)n1)C1CCCC1 ZINC000850756194 642775524 /nfs/dbraw/zinc/77/55/24/642775524.db2.gz PPUQOVVGUVWTIS-CJNGLKHVSA-N 0 3 287.363 2.475 20 30 CEEDHN CO[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)Nc2ccccc2)C1 ZINC000850759371 642777010 /nfs/dbraw/zinc/77/70/10/642777010.db2.gz IDSUCEHKMOHTAD-MRVWCRGKSA-N 0 3 286.331 2.149 20 30 CEEDHN N#Cc1cc(CN[C@H](CO)Cc2ccc(F)cc2)cs1 ZINC000921949827 642804847 /nfs/dbraw/zinc/80/48/47/642804847.db2.gz UZZFFAZOBNFJCW-AWEZNQCLSA-N 0 3 290.363 2.452 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2CCC[C@@H]2C(F)F)CC1 ZINC001003011860 642890909 /nfs/dbraw/zinc/89/09/09/642890909.db2.gz SSRMHQGZEUNVBA-STQMWFEESA-N 0 3 286.366 2.434 20 30 CEEDHN C#CC[C@@H]1CCCN(Cc2cc(C)c(C(=O)OC)[nH]2)C1 ZINC000877606016 650811624 /nfs/dbraw/zinc/81/16/24/650811624.db2.gz ZQXCRCAXPCNQOS-CYBMUJFWSA-N 0 3 274.364 2.345 20 30 CEEDHN C#CCN(C[C@H](O)c1ccccn1)C1CCCCC1 ZINC000851737392 643136852 /nfs/dbraw/zinc/13/68/52/643136852.db2.gz BNCCYMQYUIYPMC-INIZCTEOSA-N 0 3 258.365 2.383 20 30 CEEDHN C#CCCN1CCN(C[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000851872477 643203628 /nfs/dbraw/zinc/20/36/28/643203628.db2.gz DQEFGCWLWQOFCA-MRXNPFEDSA-N 0 3 286.419 2.440 20 30 CEEDHN C#CCN(C)CC[C@@H]1Sc2ccccc2NC1=O ZINC000851978548 643250370 /nfs/dbraw/zinc/25/03/70/643250370.db2.gz NVHJQFDKAVQFAF-ZDUSSCGKSA-N 0 3 260.362 2.055 20 30 CEEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000852098098 643300423 /nfs/dbraw/zinc/30/04/23/643300423.db2.gz FNCYEGZTVITOMK-CXAGYDPISA-N 0 3 290.382 2.264 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)N[C@H]1CCOc2ccccc21 ZINC000852099354 643303324 /nfs/dbraw/zinc/30/33/24/643303324.db2.gz KLSQZDUGGOYPBE-WMLDXEAASA-N 0 3 286.375 2.018 20 30 CEEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000852100191 643304300 /nfs/dbraw/zinc/30/43/00/643304300.db2.gz UXHRDHFOMJYWNK-LRDDRELGSA-N 0 3 276.355 2.394 20 30 CEEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1F ZINC000852102890 643307486 /nfs/dbraw/zinc/30/74/86/643307486.db2.gz SKNSOLCGGLYRJO-BLLLJJGKSA-N 0 3 276.355 2.222 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)C2CC2)CC1 ZINC001005233636 643396329 /nfs/dbraw/zinc/39/63/29/643396329.db2.gz XKYPMUACJATXOO-LBPRGKRZSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2ccn3cncc3c2)CC1 ZINC001005665143 643429524 /nfs/dbraw/zinc/42/95/24/643429524.db2.gz SYWWUFRQNXCVID-UHFFFAOYSA-N 0 3 298.390 2.057 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)CC2CC(OCC)C2)CC1 ZINC001005872535 643521654 /nfs/dbraw/zinc/52/16/54/643521654.db2.gz BTLHXUNETWVDLH-UHFFFAOYSA-N 0 3 294.439 2.300 20 30 CEEDHN CCCCC[C@@H]1CCCCN1CC(=O)NCCC#N ZINC000852712866 643522384 /nfs/dbraw/zinc/52/23/84/643522384.db2.gz YCSZQPRNRFGSKJ-CQSZACIVSA-N 0 3 265.401 2.451 20 30 CEEDHN N#CCc1ccc(CN2CCC(N3CCOC3=O)CC2)cc1 ZINC000852720082 643522949 /nfs/dbraw/zinc/52/29/49/643522949.db2.gz VMLYYHBWMMBQPG-UHFFFAOYSA-N 0 3 299.374 2.169 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCC[C@H](OC)C2)CC1 ZINC001005901482 643542868 /nfs/dbraw/zinc/54/28/68/643542868.db2.gz LMHNMJGLIDACNC-HOCLYGCPSA-N 0 3 294.439 2.300 20 30 CEEDHN C#CCN(C(=O)NCC[C@@H](C)CC)C1CCN(C)CC1 ZINC000923229715 643611335 /nfs/dbraw/zinc/61/13/35/643611335.db2.gz ANRVSBMJWJJXBT-AWEZNQCLSA-N 0 3 279.428 2.162 20 30 CEEDHN C=CC(C)(C)CC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000923314913 643654437 /nfs/dbraw/zinc/65/44/37/643654437.db2.gz NMNLDBROBCMGMA-QWHCGFSZSA-N 0 3 250.386 2.284 20 30 CEEDHN COC(=O)c1cccc(N=NC2CN(C)C[C@@H]2C)c1C ZINC000853397735 643763478 /nfs/dbraw/zinc/76/34/78/643763478.db2.gz JEWLKBYCUFCWJL-JTQLQIEISA-N 0 3 275.352 2.131 20 30 CEEDHN C#Cc1cccnc1NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000853435734 643769261 /nfs/dbraw/zinc/76/92/61/643769261.db2.gz MOYHSCSBJBCOCJ-GJZGRUSLSA-N 0 3 287.407 2.364 20 30 CEEDHN C=CC[C@@H]1CCCN(CN2CCC(C)(C)C2=O)C1 ZINC000853536911 643805911 /nfs/dbraw/zinc/80/59/11/643805911.db2.gz KIBIKBSQXUVMHW-CYBMUJFWSA-N 0 3 250.386 2.491 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@@H](C(C)C)[C@H]1C(C)C ZINC000838622264 643980751 /nfs/dbraw/zinc/98/07/51/643980751.db2.gz SMYLPDQFECDKNS-JKSUJKDBSA-N 0 3 293.455 2.264 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc(C#N)ccc2F)C1 ZINC000854894189 644197765 /nfs/dbraw/zinc/19/77/65/644197765.db2.gz WJZKBJHYWONEPN-CYBMUJFWSA-N 0 3 289.354 2.252 20 30 CEEDHN N#Cc1ccc2c(c1)C[C@H](NCc1ccc(Cl)nn1)C2 ZINC000877766994 650903165 /nfs/dbraw/zinc/90/31/65/650903165.db2.gz RMHKMEAVVKPIBO-CQSZACIVSA-N 0 3 284.750 2.259 20 30 CEEDHN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1occc1C ZINC000753929752 644295310 /nfs/dbraw/zinc/29/53/10/644295310.db2.gz RUBWJWOMZOAZGY-VXGBXAGGSA-N 0 3 260.341 2.172 20 30 CEEDHN c1ccc2c(c1)OCCC2=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753937046 644297806 /nfs/dbraw/zinc/29/78/06/644297806.db2.gz VQHLRUNMGSABRF-KBPBESRZSA-N 0 3 284.363 2.033 20 30 CEEDHN C#CCNC(=O)CN[C@@H](CC(C)C)c1cccs1 ZINC000754295632 644354040 /nfs/dbraw/zinc/35/40/40/644354040.db2.gz HMEJOGRDRYLLOQ-LBPRGKRZSA-N 0 3 264.394 2.174 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ccnc(F)c2F)CC1 ZINC000856916853 644751863 /nfs/dbraw/zinc/75/18/63/644751863.db2.gz IVVCKCPGWZFRDR-UHFFFAOYSA-N 0 3 296.321 2.132 20 30 CEEDHN Cc1nnc(C)n1N=C1C[C@H](C)N(Cc2ccccc2)C1 ZINC000757563934 644818474 /nfs/dbraw/zinc/81/84/74/644818474.db2.gz PKSPPOMVGGKHEJ-LBPRGKRZSA-N 0 3 283.379 2.393 20 30 CEEDHN C=CCNC(=S)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000758273399 644911916 /nfs/dbraw/zinc/91/19/16/644911916.db2.gz MEURBJJRWXXCRJ-KGLIPLIRSA-N 0 3 275.421 2.082 20 30 CEEDHN C=CC[C@@H](C(=O)OC)N1CCN(CCC(C)(C)C)CC1 ZINC000877986706 650967876 /nfs/dbraw/zinc/96/78/76/650967876.db2.gz RWGYAAGHGLQUQC-AWEZNQCLSA-N 0 3 282.428 2.158 20 30 CEEDHN COCCN(CC[C@H](O)C(C)C)Cc1ccc(C#N)cc1 ZINC000878010270 650973936 /nfs/dbraw/zinc/97/39/36/650973936.db2.gz IHHATPAXEVMROV-KRWDZBQOSA-N 0 3 290.407 2.414 20 30 CEEDHN N#CC1CCN(C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000878016013 650974702 /nfs/dbraw/zinc/97/47/02/650974702.db2.gz ICPSONFKWVZYMA-HNNXBMFYSA-N 0 3 278.396 2.198 20 30 CEEDHN C#CC[C@H](COC)NCc1ccc(OC)c(COCC)c1 ZINC000858335691 645123440 /nfs/dbraw/zinc/12/34/40/645123440.db2.gz CVCDQLDYTFOONI-MRXNPFEDSA-N 0 3 291.391 2.360 20 30 CEEDHN C#CC[C@@H](COC)NCc1cccc(OC(F)F)c1 ZINC000858335808 645124316 /nfs/dbraw/zinc/12/43/16/645124316.db2.gz IKCUJSBOPRBCKC-LBPRGKRZSA-N 0 3 269.291 2.416 20 30 CEEDHN C[C@@H](OCc1ccccc1)C(=O)C(C#N)c1ccncn1 ZINC000760335445 645141052 /nfs/dbraw/zinc/14/10/52/645141052.db2.gz UUYBNHDAINFZGV-TZMCWYRMSA-N 0 3 281.315 2.258 20 30 CEEDHN N#CC(C(=O)c1ccnc(Cl)c1)c1ccncn1 ZINC000760351126 645145074 /nfs/dbraw/zinc/14/50/74/645145074.db2.gz CNJLPGIVQJRBHG-VIFPVBQESA-N 0 3 258.668 2.015 20 30 CEEDHN C#CCOCCN1CCC(Oc2cccc(F)c2)CC1 ZINC000859396822 645475382 /nfs/dbraw/zinc/47/53/82/645475382.db2.gz YAASVUSEVWJRSL-UHFFFAOYSA-N 0 3 277.339 2.319 20 30 CEEDHN C[C@@H](NC[C@@H]1CC2(CC2)C(=O)O1)c1cccc(C#N)c1 ZINC000763727746 645570852 /nfs/dbraw/zinc/57/08/52/645570852.db2.gz CGBNGIIZUIZBJS-RISCZKNCSA-N 0 3 270.332 2.305 20 30 CEEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccns1 ZINC000860059974 645686215 /nfs/dbraw/zinc/68/62/15/645686215.db2.gz RRIWJYILZIJBGD-NXEZZACHSA-N 0 3 253.371 2.094 20 30 CEEDHN CCCN(CCc1cccs1)CC(=O)NCCC#N ZINC000766939704 645939299 /nfs/dbraw/zinc/93/92/99/645939299.db2.gz PZLUUZCAPZTRIG-UHFFFAOYSA-N 0 3 279.409 2.032 20 30 CEEDHN C#CCC(C)(C)C(=O)NCCN1CCCC(C)(C)C1 ZINC000768110717 646084427 /nfs/dbraw/zinc/08/44/27/646084427.db2.gz TWFQIEZVYFFAIA-UHFFFAOYSA-N 0 3 264.413 2.274 20 30 CEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H](F)c1ccccc1 ZINC000769297329 646238513 /nfs/dbraw/zinc/23/85/13/646238513.db2.gz ZGEDVEYESOKZDO-KBPBESRZSA-N 0 3 288.322 2.465 20 30 CEEDHN CCCCCCCC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000861710677 646253101 /nfs/dbraw/zinc/25/31/01/646253101.db2.gz QASOCGBUXVURKR-CABCVRRESA-N 0 3 282.428 2.014 20 30 CEEDHN C[C@@H](CC(C)(C)C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000773971743 646791197 /nfs/dbraw/zinc/79/11/97/646791197.db2.gz XPGUGCFYJPBEHF-RYUDHWBXSA-N 0 3 264.369 2.390 20 30 CEEDHN CCC(CC)CNN=Cc1ccc(N(C)CCO)cc1 ZINC000774478834 646851733 /nfs/dbraw/zinc/85/17/33/646851733.db2.gz RSPLAYDJSWYYSC-UHFFFAOYSA-N 0 3 277.412 2.475 20 30 CEEDHN C=CC[C@@H](CO)CNCc1c(Cl)n(C)nc1C(C)C ZINC000774827094 646900394 /nfs/dbraw/zinc/90/03/94/646900394.db2.gz MWPNYSKRGKQWLL-LLVKDONJSA-N 0 3 285.819 2.471 20 30 CEEDHN C#C[C@H](NCc1cccc(OCC)c1O)[C@H]1CCCO1 ZINC000775339709 646941848 /nfs/dbraw/zinc/94/18/48/646941848.db2.gz CYDQVFLWILHFKT-UONOGXRCSA-N 0 3 275.348 2.061 20 30 CEEDHN C#C[C@H](NCc1cc(-n2ccnc2)cs1)[C@H]1CCCO1 ZINC000775340830 646942630 /nfs/dbraw/zinc/94/26/30/646942630.db2.gz IKSCXKVODIBARR-LSDHHAIUSA-N 0 3 287.388 2.204 20 30 CEEDHN CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1 ZINC000775379350 646946903 /nfs/dbraw/zinc/94/69/03/646946903.db2.gz QRIVPPCWNZBRTH-CABCVRRESA-N 0 3 292.404 2.004 20 30 CEEDHN N#CC(C(=O)C[C@H]1CCCCO1)C(=O)Nc1ccccc1 ZINC000120002720 646978118 /nfs/dbraw/zinc/97/81/18/646978118.db2.gz JNNYCNZKRNRLCT-KGLIPLIRSA-N 0 3 286.331 2.293 20 30 CEEDHN C#C[C@H](NCCOc1ccc(C)cc1)[C@@H]1CCCO1 ZINC000775790765 646993372 /nfs/dbraw/zinc/99/33/72/646993372.db2.gz ITYSYPXFIXIIBZ-HOTGVXAUSA-N 0 3 259.349 2.144 20 30 CEEDHN Cc1cc([C@H](NCC(=O)NCCC#N)C2CC2)ccc1F ZINC000776032303 647018092 /nfs/dbraw/zinc/01/80/92/647018092.db2.gz UTVBHNKMFBNIOA-MRXNPFEDSA-N 0 3 289.354 2.205 20 30 CEEDHN CN(C)[C@@H](CNC(=O)c1coc(C#N)c1)c1ccccc1 ZINC000864481468 647026961 /nfs/dbraw/zinc/02/69/61/647026961.db2.gz ZTFKHZJFMKEOLD-HNNXBMFYSA-N 0 3 283.331 2.184 20 30 CEEDHN CCCCCCCNCc1cn(C[C@@H]2CCOC2)nn1 ZINC000865404286 647277227 /nfs/dbraw/zinc/27/72/27/647277227.db2.gz IABHHPDKIZVUIM-AWEZNQCLSA-N 0 3 280.416 2.375 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(OC(F)F)cc1F ZINC000865527327 647342258 /nfs/dbraw/zinc/34/22/58/647342258.db2.gz JPCIECFCKVFKPU-JTQLQIEISA-N 0 3 275.270 2.454 20 30 CEEDHN Cc1nsc(N2CCN(C)C(C)(C)CC2)c1C#N ZINC000866113093 647614972 /nfs/dbraw/zinc/61/49/72/647614972.db2.gz UGRHEOMBZRSXTK-UHFFFAOYSA-N 0 3 264.398 2.244 20 30 CEEDHN C[C@@H]1C[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2)CCC1=O ZINC000783349063 647709330 /nfs/dbraw/zinc/70/93/30/647709330.db2.gz DRVXSMFSJVOJMC-BZPMIXESSA-N 0 3 298.342 2.339 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC(=O)[C@@H](C)C1 ZINC000783348004 647709424 /nfs/dbraw/zinc/70/94/24/647709424.db2.gz VCTYAUZFYYLNJD-YNEHKIRRSA-N 0 3 292.379 2.007 20 30 CEEDHN N#CC(C(=O)CC/C=C/c1ccccc1)C(=O)NC1CC1 ZINC000121737501 647939385 /nfs/dbraw/zinc/93/93/85/647939385.db2.gz KQJICMKXGBGAGF-LWUPOJRFSA-N 0 3 282.343 2.467 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)c1cccs1 ZINC000121765906 647952574 /nfs/dbraw/zinc/95/25/74/647952574.db2.gz DMGMKGVHJQSYML-UWVGGRQHSA-N 0 3 264.350 2.085 20 30 CEEDHN Cc1cncc([C@H]2CCCN2C(=O)[C@H](N)CCCC#N)c1 ZINC000868050220 648034360 /nfs/dbraw/zinc/03/43/60/648034360.db2.gz HADNECXJRCYQNM-HUUCEWRRSA-N 0 3 286.379 2.075 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCCCCCC1 ZINC000787145284 648079622 /nfs/dbraw/zinc/07/96/22/648079622.db2.gz PNLQZFZPYPPCNG-CYBMUJFWSA-N 0 3 263.385 2.203 20 30 CEEDHN CN(C)C1(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CCC1 ZINC000787842622 648145888 /nfs/dbraw/zinc/14/58/88/648145888.db2.gz IHZOLDAWCUBEEF-HNNXBMFYSA-N 0 3 283.375 2.146 20 30 CEEDHN C#CC(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000791119058 648482742 /nfs/dbraw/zinc/48/27/42/648482742.db2.gz IPJNPYOERFSDPO-UHFFFAOYSA-N 0 3 285.391 2.097 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)N[C@@H]1CCN(C2CCC2)C1=O ZINC000871885871 649206965 /nfs/dbraw/zinc/20/69/65/649206965.db2.gz SYGBLTYUQCHPHT-SJLPKXTDSA-N 0 3 296.414 2.364 20 30 CEEDHN CCCCSCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000123904518 649235040 /nfs/dbraw/zinc/23/50/40/649235040.db2.gz HCMPNLDXERBMJW-GFCCVEGCSA-N 0 3 282.409 2.241 20 30 CEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)C1CCC=CCC1 ZINC000873498494 649689605 /nfs/dbraw/zinc/68/96/05/649689605.db2.gz DMNMINFNONLXCV-ZDUSSCGKSA-N 0 3 283.331 2.475 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874826329 649842998 /nfs/dbraw/zinc/84/29/98/649842998.db2.gz VNXZHMQNOYAYST-OLZOCXBDSA-N 0 3 250.386 2.284 20 30 CEEDHN C=C/C=C\CCN1CCN(c2ccc(C#N)nc2)CC1 ZINC000878530104 651121949 /nfs/dbraw/zinc/12/19/49/651121949.db2.gz QEKKRYRKHBLAKP-ARJAWSKDSA-N 0 3 268.364 2.208 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C)c(Cl)n1 ZINC000878676788 651160957 /nfs/dbraw/zinc/16/09/57/651160957.db2.gz ZRMMAALUDQCNDF-NEPJUHHUSA-N 0 3 252.745 2.477 20 30 CEEDHN C=CCCN1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463050 651307020 /nfs/dbraw/zinc/30/70/20/651307020.db2.gz ORMWHNZFBXTOLD-UHFFFAOYSA-N 0 3 276.380 2.402 20 30 CEEDHN N#Cc1cccc(CN(CC2CC2)[C@H](C(N)=O)C2CC2)c1 ZINC000879486766 651310708 /nfs/dbraw/zinc/31/07/08/651310708.db2.gz QEZHHQZJIANKRT-INIZCTEOSA-N 0 3 283.375 2.034 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H]2CSC[C@@H]2C1 ZINC000879555221 651320612 /nfs/dbraw/zinc/32/06/12/651320612.db2.gz LURKUFGLONRVEU-KBPBESRZSA-N 0 3 282.453 2.096 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649678 651335411 /nfs/dbraw/zinc/33/54/11/651335411.db2.gz SJSBDRLFXDNIBB-MLGOLLRUSA-N 0 3 289.379 2.097 20 30 CEEDHN C[C@@H](C#N)OCCN1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000879995199 651370432 /nfs/dbraw/zinc/37/04/32/651370432.db2.gz AKBMRNGIDUQADY-WFASDCNBSA-N 0 3 278.327 2.207 20 30 CEEDHN C#CCCCN1C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C1 ZINC000880158073 651394295 /nfs/dbraw/zinc/39/42/95/651394295.db2.gz WVSPEHZIVNAUQU-GHMZBOCLSA-N 0 3 277.286 2.073 20 30 CEEDHN CC[C@@H](NCc1ccncc1C#N)[C@@H]1CCCOC1 ZINC000880470213 651446627 /nfs/dbraw/zinc/44/66/27/651446627.db2.gz MRSMHDXYFSHKNU-UKRRQHHQSA-N 0 3 259.353 2.248 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1CC=C[C@H]1CO ZINC000880488122 651449664 /nfs/dbraw/zinc/44/96/64/651449664.db2.gz XQQMJLDOGQKKRY-AWEZNQCLSA-N 0 3 256.349 2.220 20 30 CEEDHN CCN1CC[C@@H]1CNc1ccc(C#N)cc1COC ZINC000882958960 652290019 /nfs/dbraw/zinc/29/00/19/652290019.db2.gz PJZUAVKSTLSSMF-CQSZACIVSA-N 0 3 259.353 2.211 20 30 CEEDHN C=C(C)COCCNCc1ccc2oc(=O)oc2c1 ZINC000883045241 652345099 /nfs/dbraw/zinc/34/50/99/652345099.db2.gz RYHPGTCDPNXZRX-UHFFFAOYSA-N 0 3 263.293 2.068 20 30 CEEDHN COC[C@H](NCc1cccc(C#N)c1F)[C@@H]1CCCOC1 ZINC000883220832 652404757 /nfs/dbraw/zinc/40/47/57/652404757.db2.gz QFUTZWKBNAMBTC-CABCVRRESA-N 0 3 292.354 2.229 20 30 CEEDHN COc1ccc(C)cc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884047102 652657974 /nfs/dbraw/zinc/65/79/74/652657974.db2.gz FVHBGALRFPLPEO-UIORMTCPSA-N 0 3 299.374 2.082 20 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294.439 2.043 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ocnc2CC)[C@H]1CC ZINC001087718426 805779707 /nfs/dbraw/zinc/77/97/07/805779707.db2.gz NLVNRTKYAIGBKF-UONOGXRCSA-N 0 3 291.395 2.396 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)Cc2cccnc2C)[C@H]1CC ZINC001087724391 805779722 /nfs/dbraw/zinc/77/97/22/805779722.db2.gz MINBBPWNMCMRFP-JKSUJKDBSA-N 0 3 287.407 2.088 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC ZINC001029421578 805798580 /nfs/dbraw/zinc/79/85/80/805798580.db2.gz FNCCXYYVJIEWGI-BETUJISGSA-N 0 3 250.386 2.284 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccsc3)C[C@@H]2C1 ZINC001087878415 805835800 /nfs/dbraw/zinc/83/58/00/805835800.db2.gz WFUCMATUZSBVER-HIFRSBDPSA-N 0 3 288.416 2.165 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCN(CC#CC)C[C@H]2C1 ZINC001088066661 805890920 /nfs/dbraw/zinc/89/09/20/805890920.db2.gz UAERNMQDXUOTID-CABCVRRESA-N 0 3 274.408 2.002 20 30 CEEDHN Cc1coc(C)c1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001126586528 805967043 /nfs/dbraw/zinc/96/70/43/805967043.db2.gz 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/nfs/dbraw/zinc/42/62/01/806426201.db2.gz WYFIQYNCOAUJCH-CYBMUJFWSA-N 0 3 285.322 2.102 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cnccc2C)[C@H]1C ZINC001088631755 806573606 /nfs/dbraw/zinc/57/36/06/806573606.db2.gz DZXILTHIKYQQKM-ZBFHGGJFSA-N 0 3 287.407 2.088 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](F)C(C)C)[C@@H]2C1 ZINC001076146534 806817515 /nfs/dbraw/zinc/81/75/15/806817515.db2.gz WHNLLFGEKLZKLC-MJBXVCDLSA-N 0 3 268.376 2.089 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H](C)c3cccnc3)[C@@H]2C1 ZINC001076320755 806836881 /nfs/dbraw/zinc/83/68/81/806836881.db2.gz HVNXJNMQELPNHL-BHYGNILZSA-N 0 3 299.418 2.294 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3ccc(C)s3)[C@@H]2C1 ZINC001076602060 806862864 /nfs/dbraw/zinc/86/28/64/806862864.db2.gz UZAPRCRXLJSJNG-DZGCQCFKSA-N 0 3 290.432 2.318 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc(C)nc1C ZINC001039041031 802401790 /nfs/dbraw/zinc/40/17/90/802401790.db2.gz XRLPQPHMZRLRON-HNNXBMFYSA-N 0 3 287.407 2.469 20 30 CEEDHN C=CCC[C@@H](C)N1CC[C@@H](NC(=O)c2cncs2)C1 ZINC001266304869 802418003 /nfs/dbraw/zinc/41/80/03/802418003.db2.gz GUBLEJWSTIBFRC-VXGBXAGGSA-N 0 3 279.409 2.302 20 30 CEEDHN C=CC(C)(C)C(=O)NCCN(C)C[C@H]1CC(C)(C)CO1 ZINC001266309184 802424432 /nfs/dbraw/zinc/42/44/32/802424432.db2.gz PYKOQDNPOZMWFV-CYBMUJFWSA-N 0 3 282.428 2.062 20 30 CEEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2csnn2)C1 ZINC001266333608 802450572 /nfs/dbraw/zinc/45/05/72/802450572.db2.gz QNMCAZFWACZGCH-GFCCVEGCSA-N 0 3 294.424 2.089 20 30 CEEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC1 ZINC001098820563 808446984 /nfs/dbraw/zinc/44/69/84/808446984.db2.gz JASFMNCPROGIGI-OAHLLOKOSA-N 0 3 294.439 2.206 20 30 CEEDHN C=CCN(C)CCNC(=O)[C@]1(C)CC=C(C)CC1 ZINC001266360255 802487412 /nfs/dbraw/zinc/48/74/12/802487412.db2.gz UVZODNMWNKHXGN-OAHLLOKOSA-N 0 3 250.386 2.357 20 30 CEEDHN C#CCCN(C)CCNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001266365053 802493617 /nfs/dbraw/zinc/49/36/17/802493617.db2.gz LETMRRRDRSDFMZ-UHFFFAOYSA-N 0 3 276.424 2.274 20 30 CEEDHN COCC1CN(Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140112328 802607063 /nfs/dbraw/zinc/60/70/63/802607063.db2.gz SHCBGYFSTOFNTN-UHFFFAOYSA-N 0 3 255.321 2.118 20 30 CEEDHN CN1CC[C@H](Nc2ncc(C#N)c3ccsc32)C1 ZINC001167275763 802622824 /nfs/dbraw/zinc/62/28/24/802622824.db2.gz YCRKRWJRTXWQOE-JTQLQIEISA-N 0 3 258.350 2.284 20 30 CEEDHN C#CCCCC(=O)NC[C@H]1CCN(Cc2cncc(C)c2)C1 ZINC001266510864 802656640 /nfs/dbraw/zinc/65/66/40/802656640.db2.gz GWWZHTBIRSJMHJ-MRXNPFEDSA-N 0 3 299.418 2.132 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)CCCC[C@H](C)CC)C1 ZINC001266529404 802679677 /nfs/dbraw/zinc/67/96/77/802679677.db2.gz AXBIWQXKVMZDHS-CABCVRRESA-N 0 3 264.413 2.417 20 30 CEEDHN C#CCN(CCC)CCNC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001266575130 802729601 /nfs/dbraw/zinc/72/96/01/802729601.db2.gz CYVHQHSXAIUDOB-CVEARBPZSA-N 0 3 276.424 2.274 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC001266578941 802734068 /nfs/dbraw/zinc/73/40/68/802734068.db2.gz CUXXAGKIWXIWET-CVEARBPZSA-N 0 3 294.439 2.186 20 30 CEEDHN Cn1cc(CN2CC[C@@]3(C2)CCCCO3)cc1C#N ZINC001207103593 802774462 /nfs/dbraw/zinc/77/44/62/802774462.db2.gz YFCAPKKSXPDCKB-OAHLLOKOSA-N 0 3 259.353 2.042 20 30 CEEDHN C=CCCCC(=O)N[C@H]1C[C@@H](NCc2conc2C)C1 ZINC001266707932 802854002 /nfs/dbraw/zinc/85/40/02/802854002.db2.gz JDPRMSCYELQLJK-OKILXGFUSA-N 0 3 277.368 2.076 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)SC)C2 ZINC001108969599 811803823 /nfs/dbraw/zinc/80/38/23/811803823.db2.gz JHPVRVDTXGLWAJ-NDBYEHHHSA-N 0 3 268.426 2.036 20 30 CEEDHN C=CCN1CCC2(CC1)CN(C(=O)C(C)(C)F)C[C@H](C)O2 ZINC001098554531 802919100 /nfs/dbraw/zinc/91/91/00/802919100.db2.gz SIOAWSXXZUAFPK-ZDUSSCGKSA-N 0 3 298.402 2.002 20 30 CEEDHN CC#CCN[C@@H](C)CNC(=O)c1cccc(-n2cccc2)c1 ZINC001266956429 803019463 /nfs/dbraw/zinc/01/94/63/803019463.db2.gz PILJYXFIFKWERE-HNNXBMFYSA-N 0 3 295.386 2.209 20 30 CEEDHN C=CCCCC(=O)NC[C@H](C)NCc1cc(C)ns1 ZINC001266968858 803030036 /nfs/dbraw/zinc/03/00/36/803030036.db2.gz ZNZYVQHCADIHSQ-LBPRGKRZSA-N 0 3 281.425 2.402 20 30 CEEDHN CC#CCN[C@@H](C)CNC(=O)c1ccc(C2CC2)cc1 ZINC001266995121 803043960 /nfs/dbraw/zinc/04/39/60/803043960.db2.gz CAIKFPWFOVLRJZ-ZDUSSCGKSA-N 0 3 270.376 2.295 20 30 CEEDHN CC#CCN[C@H]1CCN(C(=O)c2cccc(Cl)c2C)C1 ZINC001267009764 803053933 /nfs/dbraw/zinc/05/39/33/803053933.db2.gz UNNYXSJWLCXABM-ZDUSSCGKSA-N 0 3 290.794 2.476 20 30 CEEDHN N#Cc1cccc(CNCCNC(=O)C2CC3(CCC3)C2)c1 ZINC001132587749 812901198 /nfs/dbraw/zinc/90/11/98/812901198.db2.gz SBXUBVADGQFGOQ-UHFFFAOYSA-N 0 3 297.402 2.344 20 30 CEEDHN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1snnc1C ZINC001133884164 813169618 /nfs/dbraw/zinc/16/96/18/813169618.db2.gz MBKWKUCSYWGVRV-MNOVXSKESA-N 0 3 296.440 2.186 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2(CCC)CC2)C1 ZINC001267112100 803137165 /nfs/dbraw/zinc/13/71/65/803137165.db2.gz WFNXKOQBCOLXIW-AWEZNQCLSA-N 0 3 262.397 2.123 20 30 CEEDHN CC#CCNCCNC(=O)[C@H](C)[C@@H](C)C(C)(C)C ZINC001135177991 813379171 /nfs/dbraw/zinc/37/91/71/813379171.db2.gz OJWHYASHEKWACN-CHWSQXEVSA-N 0 3 252.402 2.034 20 30 CEEDHN C=CCN1CC=C(CCNC(=O)CCSCC)CC1 ZINC001159419805 813379595 /nfs/dbraw/zinc/37/95/95/813379595.db2.gz KDHWVXVMBCTMMX-UHFFFAOYSA-N 0 3 282.453 2.454 20 30 CEEDHN C#CCN1CC[C@H]2CCN(C(=O)C(C)=C3CCCC3)C[C@@H]21 ZINC001042008145 803193803 /nfs/dbraw/zinc/19/38/03/803193803.db2.gz ZJECZFMIIBNYND-IRXDYDNUSA-N 0 3 286.419 2.433 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)C(F)=C(C)C)C[C@@H]21 ZINC001042014736 803200408 /nfs/dbraw/zinc/20/04/08/803200408.db2.gz XOTALLXBTCRPIU-STQMWFEESA-N 0 3 266.360 2.359 20 30 CEEDHN C#Cc1ccc(C(=O)NCCN(C)CC[C@H](C)F)cc1 ZINC001267210365 803235063 /nfs/dbraw/zinc/23/50/63/803235063.db2.gz GANAXOPLDFCWNN-ZDUSSCGKSA-N 0 3 276.355 2.078 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)CCOc1cccc(C)c1 ZINC001267230456 803258861 /nfs/dbraw/zinc/25/88/61/803258861.db2.gz OPIROFXKTSTVKM-UHFFFAOYSA-N 0 3 290.407 2.388 20 30 CEEDHN C=CCN(C)CCNC(=O)c1cc2cccc(F)c2o1 ZINC001267230862 803261304 /nfs/dbraw/zinc/26/13/04/803261304.db2.gz FPHHDOXQWJFPAA-UHFFFAOYSA-N 0 3 276.311 2.420 20 30 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C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccncc2C)C1 ZINC001033082984 809171412 /nfs/dbraw/zinc/17/14/12/809171412.db2.gz WNDYULDBLWXNGJ-INIZCTEOSA-N 0 3 287.407 2.041 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc3occc3[nH]2)C1 ZINC001033129778 809195258 /nfs/dbraw/zinc/19/52/58/809195258.db2.gz YRQODJYDKNKRDX-GFCCVEGCSA-N 0 3 287.363 2.483 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2coc(C(F)F)c2)C1 ZINC001033369058 809284956 /nfs/dbraw/zinc/28/49/56/809284956.db2.gz QYHNOJMVPPARBF-GFCCVEGCSA-N 0 3 296.317 2.387 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001033394951 809289408 /nfs/dbraw/zinc/28/94/08/809289408.db2.gz CMAAKLULYRMOPR-HLLBOEOZSA-N 0 3 274.408 2.123 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2CC3(CC3)C2)C1 ZINC001033404923 809298652 /nfs/dbraw/zinc/29/86/52/809298652.db2.gz GRTWAYBFTUZEAG-AWEZNQCLSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2ccsc2C)C1 ZINC001033479032 809313799 /nfs/dbraw/zinc/31/37/99/809313799.db2.gz HLKKAJWUZLSKDO-AWEZNQCLSA-N 0 3 278.421 2.318 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c(F)cccc2F)C1 ZINC001033612891 809353163 /nfs/dbraw/zinc/35/31/63/809353163.db2.gz HXIICRSIVSVJFD-GFCCVEGCSA-N 0 3 292.329 2.134 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2csc(C)n2)C1 ZINC001033642909 809369715 /nfs/dbraw/zinc/36/97/15/809369715.db2.gz UQQAYMGQJOFXKP-CQSZACIVSA-N 0 3 293.436 2.103 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc[nH]2)C1 ZINC001033746510 809402458 /nfs/dbraw/zinc/40/24/58/809402458.db2.gz CIRKMPXKDRNZBM-ZDUSSCGKSA-N 0 3 261.369 2.127 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(CC)n[nH]2)C1 ZINC001033753735 809407040 /nfs/dbraw/zinc/40/70/40/809407040.db2.gz OUXCPYIARCPLRT-CQSZACIVSA-N 0 3 290.411 2.085 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCCO[C@H]2C=C)CC1 ZINC001005406975 809438528 /nfs/dbraw/zinc/43/85/28/809438528.db2.gz UPOCNRHKOOUTRK-CVEARBPZSA-N 0 3 292.423 2.076 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2[nH]c(C)cc2C)C1 ZINC001033879667 809443309 /nfs/dbraw/zinc/44/33/09/809443309.db2.gz VPRZVYDERBLAPO-HNNXBMFYSA-N 0 3 287.407 2.191 20 30 CEEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2conc2C)C1 ZINC001033938630 809462275 /nfs/dbraw/zinc/46/22/75/809462275.db2.gz QOSAMRJVSBXCEJ-ZDUSSCGKSA-N 0 3 277.368 2.096 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001033971314 809467514 /nfs/dbraw/zinc/46/75/14/809467514.db2.gz IPOIUQRRVUFXTL-CABCVRRESA-N 0 3 274.408 2.123 20 30 CEEDHN COCCN1CCC(Nc2cc(C#N)cc(Cl)n2)CC1 ZINC001120889153 815291792 /nfs/dbraw/zinc/29/17/92/815291792.db2.gz HNDMTOQCPIZAOB-UHFFFAOYSA-N 0 3 294.786 2.129 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cn(CC)cn2)C1 ZINC001034018180 809478588 /nfs/dbraw/zinc/47/85/88/809478588.db2.gz XYGARJKROMWRSD-CQSZACIVSA-N 0 3 290.411 2.016 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001034101073 809513602 /nfs/dbraw/zinc/51/36/02/809513602.db2.gz HRDCDXZLKMMLCN-HUUCEWRRSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc3nccn32)C1 ZINC001034309385 809575750 /nfs/dbraw/zinc/57/57/50/809575750.db2.gz KDQMBQNOEMMHCZ-AWEZNQCLSA-N 0 3 298.390 2.105 20 30 CEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ncc(C)cc2C)C1 ZINC001034317246 809578503 /nfs/dbraw/zinc/57/85/03/809578503.db2.gz KAFPGGQOLVFNKM-INIZCTEOSA-N 0 3 299.418 2.306 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001034389022 809597462 /nfs/dbraw/zinc/59/74/62/809597462.db2.gz MGIPTAZIBYYXBG-CQSZACIVSA-N 0 3 262.397 2.499 20 30 CEEDHN C#CCNC1(CNC(=O)[C@@H]2CCCC[C@H]2C)CCC1 ZINC001273141051 809701922 /nfs/dbraw/zinc/70/19/22/809701922.db2.gz GZPKURGQUPSGAC-ZIAGYGMSSA-N 0 3 262.397 2.074 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cccn1CC)CC2 ZINC001035852489 809822082 /nfs/dbraw/zinc/82/20/82/809822082.db2.gz KJLHIHUKVZHGPA-UHFFFAOYSA-N 0 3 299.418 2.069 20 30 CEEDHN FC1(F)C[C@@H]1OCCNCC#Cc1ccccc1 ZINC000709173236 809933838 /nfs/dbraw/zinc/93/38/38/809933838.db2.gz ICYBQRZADJAZSH-ZDUSSCGKSA-N 0 3 251.276 2.052 20 30 CEEDHN CCCCN(CCC#N)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172179044 815331710 /nfs/dbraw/zinc/33/17/10/815331710.db2.gz QJVGFLVYEUCFCL-ZIAGYGMSSA-N 0 3 263.385 2.156 20 30 CEEDHN COC(=O)C1(C)CCC(NCc2ncc(C#N)s2)CC1 ZINC001168762594 810082589 /nfs/dbraw/zinc/08/25/89/810082589.db2.gz VGADYKWOPNBBOH-UHFFFAOYSA-N 0 3 293.392 2.226 20 30 CEEDHN C#CCNC1(CNC(=O)C2(CCCC)CC2)CCC1 ZINC001280502179 810091958 /nfs/dbraw/zinc/09/19/58/810091958.db2.gz FMHAXUZEUUYONH-UHFFFAOYSA-N 0 3 262.397 2.219 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C)c2)C1 ZINC001079382755 810205678 /nfs/dbraw/zinc/20/56/78/810205678.db2.gz LUWHTZQHCORUKH-GDBMZVCRSA-N 0 3 270.376 2.068 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001079848626 810236267 /nfs/dbraw/zinc/23/62/67/810236267.db2.gz DSGMYJCYMFIXBI-RHSMWYFYSA-N 0 3 299.418 2.278 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2nccc3occc32)C1 ZINC001080175085 810253851 /nfs/dbraw/zinc/25/38/51/810253851.db2.gz YELGTIZGGCALRT-TZMCWYRMSA-N 0 3 299.374 2.454 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001080497585 810283690 /nfs/dbraw/zinc/28/36/90/810283690.db2.gz BEQFVCZGDQQKDH-CZUORRHYSA-N 0 3 288.366 2.208 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001080475703 810285803 /nfs/dbraw/zinc/28/58/03/810285803.db2.gz ZPSJTPZFMJRCIX-XLNGHYISSA-N 0 3 299.418 2.198 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cncc(Cl)c2)C1 ZINC001080616007 810296711 /nfs/dbraw/zinc/29/67/11/810296711.db2.gz OCKIDMMNFYAENM-BXUZGUMPSA-N 0 3 293.798 2.361 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccccc2OC)C1 ZINC001080822685 810309419 /nfs/dbraw/zinc/30/94/19/810309419.db2.gz LQHVBTKNSAXXIP-UKRRQHHQSA-N 0 3 288.391 2.321 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC001015627706 810317466 /nfs/dbraw/zinc/31/74/66/810317466.db2.gz NHRWXSQVJFSSBD-GFCCVEGCSA-N 0 3 294.345 2.274 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2ccncc2Cl)C1 ZINC001015746430 810337868 /nfs/dbraw/zinc/33/78/68/810337868.db2.gz FWEGGCIFZWSLOO-NSHDSACASA-N 0 3 279.771 2.115 20 30 CEEDHN C=C(C)CN1CC([C@H](C)NC(=O)/C=C/c2ccc[nH]2)C1 ZINC001276368576 810388520 /nfs/dbraw/zinc/38/85/20/810388520.db2.gz KIJKHRCOTZJXHR-YBJDMEARSA-N 0 3 273.380 2.041 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)N(C)Cc1cncnc1 ZINC001172313243 815366617 /nfs/dbraw/zinc/36/66/17/815366617.db2.gz SHRFDJDXBFRZBW-ZDUSSCGKSA-N 0 3 266.348 2.411 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC001016076447 810396060 /nfs/dbraw/zinc/39/60/60/810396060.db2.gz HNUJJHKNKHBBLJ-OAHLLOKOSA-N 0 3 258.365 2.375 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001016316343 810423371 /nfs/dbraw/zinc/42/33/71/810423371.db2.gz MJPUNEDMLWDZSE-QGZVFWFLSA-N 0 3 282.387 2.391 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C3C(C)(C)C3(C)C)[C@@H]2C1 ZINC001084258961 810455370 /nfs/dbraw/zinc/45/53/70/810455370.db2.gz BOGRCJHIIQSFLK-ZIAGYGMSSA-N 0 3 288.435 2.225 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCCC2(C1)OCCO2 ZINC001172319959 815370556 /nfs/dbraw/zinc/37/05/56/815370556.db2.gz SLEGDXTUEYYNHN-CQSZACIVSA-N 0 3 286.375 2.328 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc[nH]c3CC)[C@@H]2C1 ZINC001084321514 810460546 /nfs/dbraw/zinc/46/05/46/810460546.db2.gz XUOOAMFGJRWQIL-CZUORRHYSA-N 0 3 287.407 2.300 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C(C)(C)C)CC1 ZINC001016942663 810478183 /nfs/dbraw/zinc/47/81/83/810478183.db2.gz IPVDTHQZEYGNNJ-ZDUSSCGKSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C2CCC=CCC2)CC1 ZINC001016978024 810481348 /nfs/dbraw/zinc/48/13/48/810481348.db2.gz FDQMISMAFMICLA-INIZCTEOSA-N 0 3 286.419 2.337 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(F)F ZINC001017523730 810529396 /nfs/dbraw/zinc/52/93/96/810529396.db2.gz SMZVBKOWWFGGCA-RNJOBUHISA-N 0 3 284.350 2.139 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)CC)C[C@@H]21 ZINC001084892121 810539003 /nfs/dbraw/zinc/53/90/03/810539003.db2.gz MGSDXGXUAVYSJT-MCIONIFRSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCN(CC=C(C)C)C[C@H]1O ZINC001099848605 810542953 /nfs/dbraw/zinc/54/29/53/810542953.db2.gz WYDCJYGJVGKUPD-HUUCEWRRSA-N 0 3 294.439 2.106 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc2c(c1)CCCN2 ZINC001122022253 815378361 /nfs/dbraw/zinc/37/83/61/815378361.db2.gz GBLYFHPTRJELFX-OAHLLOKOSA-N 0 3 287.407 2.345 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](F)C(C)C)C[C@@H]21 ZINC001085011764 810565677 /nfs/dbraw/zinc/56/56/77/810565677.db2.gz YOWDAACTRZLSDZ-HZSPNIEDSA-N 0 3 268.376 2.089 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N(C)c1ccccc1OC ZINC001122031727 815379741 /nfs/dbraw/zinc/37/97/41/815379741.db2.gz WYADVMSQTVGJFF-GFCCVEGCSA-N 0 3 262.353 2.342 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC001122042316 815380012 /nfs/dbraw/zinc/38/00/12/815380012.db2.gz VXJDLMNBSQFFNW-CYBMUJFWSA-N 0 3 291.351 2.203 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1coc(C)n1 ZINC001085180791 810625925 /nfs/dbraw/zinc/62/59/25/810625925.db2.gz USVXZCBWKZEQLV-VXGBXAGGSA-N 0 3 297.786 2.366 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@H](c2nc(C)cs2)C1 ZINC001122119646 815385723 /nfs/dbraw/zinc/38/57/23/815385723.db2.gz ONFNJJSMTFNUHZ-QWHCGFSZSA-N 0 3 293.436 2.451 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2coc3cc(C)c(C)cc23)C1 ZINC001019192711 810683718 /nfs/dbraw/zinc/68/37/18/810683718.db2.gz NZDPHCDFDDSPDK-AWEZNQCLSA-N 0 3 296.370 2.487 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC001019233021 810686632 /nfs/dbraw/zinc/68/66/32/810686632.db2.gz AOHIWUHHSFIIAZ-AWEZNQCLSA-N 0 3 295.386 2.222 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnco1 ZINC001085290028 810714127 /nfs/dbraw/zinc/71/41/27/810714127.db2.gz LDQHVDPSHOBZRQ-GHMZBOCLSA-N 0 3 283.759 2.058 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cccc3ccsc32)C1 ZINC001019608706 810723602 /nfs/dbraw/zinc/72/36/02/810723602.db2.gz SZUOMVJIQUBGRD-ZDUSSCGKSA-N 0 3 284.384 2.339 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC001019677198 810727913 /nfs/dbraw/zinc/72/79/13/810727913.db2.gz WPNZNHKGJOWCFH-INIZCTEOSA-N 0 3 284.403 2.096 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC001019739674 810735411 /nfs/dbraw/zinc/73/54/11/810735411.db2.gz DQHKNNWYIYMOMA-KRWDZBQOSA-N 0 3 296.414 2.322 20 30 CEEDHN Cc1nc(C)c(C#N)c(SC[C@H]2CCCN2C)n1 ZINC000826762619 810735483 /nfs/dbraw/zinc/73/54/83/810735483.db2.gz LECKXOTVRKYQMY-LLVKDONJSA-N 0 3 262.382 2.151 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001020077957 810766263 /nfs/dbraw/zinc/76/62/63/810766263.db2.gz OKGVMQHNFNXCSQ-JHJVBQTASA-N 0 3 281.787 2.038 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccncc1 ZINC001085456769 810767629 /nfs/dbraw/zinc/76/76/29/810767629.db2.gz SFYUIJASTLOXGY-HNNXBMFYSA-N 0 3 273.380 2.194 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C[C@@H](C)CC)C1 ZINC001276376027 810783904 /nfs/dbraw/zinc/78/39/04/810783904.db2.gz KDEYGGBIJWAGNX-QWHCGFSZSA-N 0 3 252.402 2.435 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001020277769 810786001 /nfs/dbraw/zinc/78/60/01/810786001.db2.gz SNRRBGBDDCPLAJ-GUBZILKMSA-N 0 3 278.730 2.021 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001020322519 810789877 /nfs/dbraw/zinc/78/98/77/810789877.db2.gz AGFBAFIHWXFJOC-NDKCEZKHSA-N 0 3 282.815 2.412 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001038147595 810799571 /nfs/dbraw/zinc/79/95/71/810799571.db2.gz WAXNLCSHOMEFRR-BYNSBNAKSA-N 0 3 262.397 2.189 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1nccn1CC ZINC001085570834 810833979 /nfs/dbraw/zinc/83/39/79/810833979.db2.gz RBVMNHBGLTUFJB-AWEZNQCLSA-N 0 3 290.411 2.016 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001038501773 810851070 /nfs/dbraw/zinc/85/10/70/810851070.db2.gz GRDGHQUMGFLVHF-BFHYXJOUSA-N 0 3 264.413 2.435 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC001038640831 810878060 /nfs/dbraw/zinc/87/80/60/810878060.db2.gz YEVAITXATBVIMC-HZPDHXFCSA-N 0 3 299.418 2.268 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cncc2[nH]ccc21 ZINC001085697181 810879783 /nfs/dbraw/zinc/87/97/83/810879783.db2.gz DTEXRFMIOUNEQE-CYBMUJFWSA-N 0 3 298.390 2.285 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCO2 ZINC001038735943 810903531 /nfs/dbraw/zinc/90/35/31/810903531.db2.gz RNVNVXYDPQORSF-OAHLLOKOSA-N 0 3 286.375 2.002 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001085787293 810914896 /nfs/dbraw/zinc/91/48/96/810914896.db2.gz LAMOOBATUXXSRZ-JKSUJKDBSA-N 0 3 299.418 2.220 20 30 CEEDHN C#Cc1cncc(C(=O)N(C)C[C@H]2CCN2CCCC)c1 ZINC001085809969 810924090 /nfs/dbraw/zinc/92/40/90/810924090.db2.gz RLLGJPRBXIYKBP-MRXNPFEDSA-N 0 3 285.391 2.009 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC12CC2 ZINC001085841984 810938584 /nfs/dbraw/zinc/93/85/84/810938584.db2.gz LJHJRUZZSVRQOD-UONOGXRCSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001038888864 810939339 /nfs/dbraw/zinc/93/93/39/810939339.db2.gz XOBGDPRNVMSLRG-ZIAGYGMSSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001038947547 810954393 /nfs/dbraw/zinc/95/43/93/810954393.db2.gz CUHZPKRLYJBYTK-HNNXBMFYSA-N 0 3 258.365 2.375 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnn(C(F)F)c1 ZINC001085894450 810958893 /nfs/dbraw/zinc/95/88/93/810958893.db2.gz BCKSTFBPEFCXMK-GFCCVEGCSA-N 0 3 298.337 2.001 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1C1CC1 ZINC001085904509 810964761 /nfs/dbraw/zinc/96/47/61/810964761.db2.gz GTUSOCRKADGUTQ-CYBMUJFWSA-N 0 3 288.395 2.010 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c[nH]cc1C ZINC001085969604 810988465 /nfs/dbraw/zinc/98/84/65/810988465.db2.gz GHIUCVWAWXDKJK-CYBMUJFWSA-N 0 3 261.369 2.046 20 30 CEEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001039185208 810994908 /nfs/dbraw/zinc/99/49/08/810994908.db2.gz DFOLZWRTNSYTSP-HZPDHXFCSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)/C(C)=C/C)C1 ZINC001039202624 810998697 /nfs/dbraw/zinc/99/86/97/810998697.db2.gz JULKQGRESXVJIE-ZGTFBXRNSA-N 0 3 274.408 2.289 20 30 CEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)/C(C)=C\C)C1 ZINC001039202618 810999240 /nfs/dbraw/zinc/99/92/40/810999240.db2.gz JULKQGRESXVJIE-BTOPGYKJSA-N 0 3 274.408 2.289 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCC1 ZINC001039322563 811008090 /nfs/dbraw/zinc/00/80/90/811008090.db2.gz WAIFKDVEYARCFM-CABCVRRESA-N 0 3 262.397 2.428 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)OC ZINC001039336598 811009384 /nfs/dbraw/zinc/00/93/84/811009384.db2.gz JMCFTJNIGUNSAX-QLFBSQMISA-N 0 3 280.412 2.053 20 30 CEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCOC1 ZINC001039355724 811016437 /nfs/dbraw/zinc/01/64/37/811016437.db2.gz BPXLYFZFHXJUSG-OAGGEKHMSA-N 0 3 292.423 2.054 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(C)C ZINC001039363314 811017672 /nfs/dbraw/zinc/01/76/72/811017672.db2.gz LXXHEMDJIYSLOM-ILXRZTDVSA-N 0 3 274.408 2.121 20 30 CEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1(C)CC1 ZINC001039406628 811023762 /nfs/dbraw/zinc/02/37/62/811023762.db2.gz BOQWNNNYRCPMGK-KGLIPLIRSA-N 0 3 262.397 2.428 20 30 CEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1occc1C ZINC001039433306 811030685 /nfs/dbraw/zinc/03/06/85/811030685.db2.gz DZGKDTWDHVBUOY-CABCVRRESA-N 0 3 288.391 2.382 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)C ZINC001039446639 811031578 /nfs/dbraw/zinc/03/15/78/811031578.db2.gz OJGBFXCPAFOCLU-OAGGEKHMSA-N 0 3 276.424 2.367 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C3=CCCC3)C2)C1 ZINC001040159336 811094415 /nfs/dbraw/zinc/09/44/15/811094415.db2.gz ZAVNHFWEKAHVBJ-QGZVFWFLSA-N 0 3 272.392 2.044 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C(C)(C)C=C)C2)C1 ZINC001040329914 811102034 /nfs/dbraw/zinc/10/20/34/811102034.db2.gz XRCGOVAZFAFMDK-QGZVFWFLSA-N 0 3 274.408 2.146 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)C1 ZINC001040383166 811110277 /nfs/dbraw/zinc/11/02/77/811110277.db2.gz GNLOPQBRUYQMDU-NUJGCVRESA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC001040428870 811112436 /nfs/dbraw/zinc/11/24/36/811112436.db2.gz GLIJGVDVWKAOFQ-WBVHZDCISA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)CCC3CC3)C2)CC1 ZINC001040645950 811120567 /nfs/dbraw/zinc/12/05/67/811120567.db2.gz ABJKFJVEEFFAEX-UHFFFAOYSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)Cc3ccccc3)C2)CC1 ZINC001040751374 811123916 /nfs/dbraw/zinc/12/39/16/811123916.db2.gz YNTZMBJMGLFPSW-UHFFFAOYSA-N 0 3 296.414 2.177 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)C3(C(C)C)CC3)C2)CC1 ZINC001040839123 811126699 /nfs/dbraw/zinc/12/66/99/811126699.db2.gz AVPYTLSOSOIWSD-UHFFFAOYSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)c3ccsc3)C2)C1 ZINC001041057745 811139769 /nfs/dbraw/zinc/13/97/69/811139769.db2.gz RORGQKJUPDUKMK-MRXNPFEDSA-N 0 3 288.416 2.309 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)c3cc[nH]c3CC)C2)C1 ZINC001041253746 811156353 /nfs/dbraw/zinc/15/63/53/811156353.db2.gz ZHPCUBXLRLVEDQ-GOSISDBHSA-N 0 3 299.418 2.138 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)C34CCC(CC3)C4)C2)C1 ZINC001041413643 811166257 /nfs/dbraw/zinc/16/62/57/811166257.db2.gz VRUINPUFGDUMNW-NXYGQSRBSA-N 0 3 286.419 2.124 20 30 CEEDHN CCC(=O)N1CC[C@H]2CCN(Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC001041865175 811200518 /nfs/dbraw/zinc/20/05/18/811200518.db2.gz HHVJQJRQCNYHEW-IAGOWNOFSA-N 0 3 297.402 2.391 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)c3ccccc3)C[C@@H]21 ZINC001041906715 811212363 /nfs/dbraw/zinc/21/23/63/811212363.db2.gz NJRFCBBKUIMPIO-RDJZCZTQSA-N 0 3 282.387 2.246 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3ccoc3)C[C@@H]21 ZINC001041938584 811219423 /nfs/dbraw/zinc/21/94/23/811219423.db2.gz LFUOEFJLFMVUIC-HIFRSBDPSA-N 0 3 274.364 2.392 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3c(C)ccn3C)C[C@H]21 ZINC001042031433 811234654 /nfs/dbraw/zinc/23/46/54/811234654.db2.gz GECKVVHPOXEZFT-HUUCEWRRSA-N 0 3 287.407 2.056 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccn(C)c3C)C[C@H]21 ZINC001042224766 811259219 /nfs/dbraw/zinc/25/92/19/811259219.db2.gz QSYDGORLQVRRPA-GOEBONIOSA-N 0 3 287.407 2.056 20 30 CEEDHN C#CCN1CC[C@H]2CCN(C(=O)Cc3ccccc3C)C[C@@H]21 ZINC001042346411 811271187 /nfs/dbraw/zinc/27/11/87/811271187.db2.gz UBOYXFHGCTZASC-WMZOPIPTSA-N 0 3 296.414 2.094 20 30 CEEDHN C[C@@H](N)c1ccn(-c2ccc(C#N)c3[nH]ccc32)n1 ZINC001169235372 811433997 /nfs/dbraw/zinc/43/39/97/811433997.db2.gz VMWDXYHVZZSVTM-SECBINFHSA-N 0 3 251.293 2.245 20 30 CEEDHN CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001169248055 811462071 /nfs/dbraw/zinc/46/20/71/811462071.db2.gz PEDZOHYFIQTIRT-CQSZACIVSA-N 0 3 288.391 2.294 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)N1CCc2sccc2C1 ZINC000384198509 811462753 /nfs/dbraw/zinc/46/27/53/811462753.db2.gz KKPCADLUZHENAF-OAHLLOKOSA-N 0 3 276.405 2.024 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001045562978 811627428 /nfs/dbraw/zinc/62/74/28/811627428.db2.gz WVLVKQGAGNOENC-CHWSQXEVSA-N 0 3 250.386 2.189 20 30 CEEDHN C#C[C@@](C)(CC)Nc1ccc2c(c1)COC21CNC1 ZINC001169700419 811631188 /nfs/dbraw/zinc/63/11/88/811631188.db2.gz NGUCNQCBYKLQJD-HNNXBMFYSA-N 0 3 256.349 2.229 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001045603505 811631829 /nfs/dbraw/zinc/63/18/29/811631829.db2.gz GEUATBWXILRPQA-ZIAGYGMSSA-N 0 3 264.413 2.435 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)CC)C2 ZINC001045901909 811659027 /nfs/dbraw/zinc/65/90/27/811659027.db2.gz QLVFRQQCQOGYQK-INIZCTEOSA-N 0 3 262.397 2.124 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001046229398 811715710 /nfs/dbraw/zinc/71/57/10/811715710.db2.gz PZGYUBXLBKHSDE-HWMZRRJGSA-N 0 3 274.408 2.027 20 30 CEEDHN CC1(C)CC(=O)C=C(Nc2ccc3c(n2)OCCNC3)C1 ZINC001169947070 811721849 /nfs/dbraw/zinc/72/18/49/811721849.db2.gz ULNFCIYWVMUQSY-UHFFFAOYSA-N 0 3 287.363 2.249 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cccc(CC)n2)C1 ZINC001046380336 811746857 /nfs/dbraw/zinc/74/68/57/811746857.db2.gz UASDQOVBFLRBDP-KRWDZBQOSA-N 0 3 287.407 2.414 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001046618507 811786846 /nfs/dbraw/zinc/78/68/46/811786846.db2.gz FXEKSYYGTQMJCX-GOSISDBHSA-N 0 3 299.418 2.423 20 30 CEEDHN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(/C)C1CC1)C2 ZINC001109002420 811808607 /nfs/dbraw/zinc/80/86/07/811808607.db2.gz KKQGAVQTFVGCEL-FDBVCPBRSA-N 0 3 260.381 2.250 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2cc(C)c(CC)o2)C1 ZINC001046765142 811811222 /nfs/dbraw/zinc/81/12/22/811811222.db2.gz OHMSYPRVUYDUDZ-KRWDZBQOSA-N 0 3 288.391 2.368 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(F)cc2C)C1 ZINC001046787859 811817338 /nfs/dbraw/zinc/81/73/38/811817338.db2.gz YICTWVYAGDGBFJ-QGZVFWFLSA-N 0 3 288.366 2.352 20 30 CEEDHN Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109080473 811819585 /nfs/dbraw/zinc/81/95/85/811819585.db2.gz VTJNROPLPAVGAS-SIXLDLHFSA-N 0 3 297.402 2.376 20 30 CEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=C)C)C2 ZINC001109353835 811863999 /nfs/dbraw/zinc/86/39/99/811863999.db2.gz ZKJOUHNLRYMPLU-PMPSAXMXSA-N 0 3 292.423 2.267 20 30 CEEDHN C=CC(C)(C)CC(=O)OC[C@@H]1CCN1C1CCOCC1 ZINC001123248580 815494006 /nfs/dbraw/zinc/49/40/06/815494006.db2.gz UMGHFWBICGOQTE-AWEZNQCLSA-N 0 3 281.396 2.385 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C)C2 ZINC001096400501 812009613 /nfs/dbraw/zinc/00/96/13/812009613.db2.gz GQHLVCLGHTZLPV-AGIUHOORSA-N 0 3 250.386 2.330 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCC[C@@H](C)C3)C[C@@H]2C1 ZINC001049016868 812058632 /nfs/dbraw/zinc/05/86/32/812058632.db2.gz VHPJKDLLSSDELB-VQHPVUNQSA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H]3C[C@H](C)C[C@H](C)C3)C[C@@H]2C1 ZINC001049240227 812089651 /nfs/dbraw/zinc/08/96/51/812089651.db2.gz ANNBZBSARKWWJT-JGAFCMAOSA-N 0 3 288.435 2.082 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C)o1 ZINC001049306035 812112926 /nfs/dbraw/zinc/11/29/26/812112926.db2.gz IFMMGUCRBXLRFB-UONOGXRCSA-N 0 3 274.364 2.453 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(F)nc1 ZINC001049382981 812133442 /nfs/dbraw/zinc/13/34/42/812133442.db2.gz PVFHGUAJQNOYNJ-UONOGXRCSA-N 0 3 289.354 2.086 20 30 CEEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc[nH]c1C ZINC001049409090 812139233 /nfs/dbraw/zinc/13/92/33/812139233.db2.gz YURLSRZEIZCRGD-CVEARBPZSA-N 0 3 285.391 2.025 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1=CCCC1 ZINC001049414038 812141989 /nfs/dbraw/zinc/14/19/89/812141989.db2.gz BDOOGJCBQHIQPL-JKSUJKDBSA-N 0 3 272.392 2.185 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cncc(F)c1 ZINC001049419974 812143189 /nfs/dbraw/zinc/14/31/89/812143189.db2.gz QIACGBBICNKFFG-CABCVRRESA-N 0 3 289.354 2.086 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1OCC[C@H]1CC ZINC001049524670 812158608 /nfs/dbraw/zinc/15/86/08/812158608.db2.gz AIFJLDSOBVMWMZ-FPCVCCKLSA-N 0 3 292.423 2.053 20 30 CEEDHN C=CCCCN1CCN(C(=O)c2ccc3cncn3c2)CC1 ZINC001113104537 812163697 /nfs/dbraw/zinc/16/36/97/812163697.db2.gz GLCRYPUPUNSFLL-UHFFFAOYSA-N 0 3 298.390 2.058 20 30 CEEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC1(C)CC1 ZINC001049602603 812172015 /nfs/dbraw/zinc/17/20/15/812172015.db2.gz NOHNDLYYKJAZBZ-CABCVRRESA-N 0 3 274.408 2.265 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C(F)(F)F ZINC001049638858 812176488 /nfs/dbraw/zinc/17/64/88/812176488.db2.gz GUAUGDXADWHRKR-QJPTWQEYSA-N 0 3 290.329 2.436 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C(F)(F)F ZINC001049638857 812176857 /nfs/dbraw/zinc/17/68/57/812176857.db2.gz GUAUGDXADWHRKR-IJLUTSLNSA-N 0 3 290.329 2.436 20 30 CEEDHN C#CCCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)co1 ZINC001049662989 812184537 /nfs/dbraw/zinc/18/45/37/812184537.db2.gz KSKBKMNXYRJDIA-GJZGRUSLSA-N 0 3 286.375 2.290 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1occc1C ZINC001049702820 812194460 /nfs/dbraw/zinc/19/44/60/812194460.db2.gz ONGADYAMHQHSGE-LSDHHAIUSA-N 0 3 288.391 2.382 20 30 CEEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)C1CC1 ZINC001049923585 812229684 /nfs/dbraw/zinc/22/96/84/812229684.db2.gz VLPOGIDZPPAAPI-CWRNSKLLSA-N 0 3 274.408 2.121 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC=CCC1)C2 ZINC001096794731 812277140 /nfs/dbraw/zinc/27/71/40/812277140.db2.gz WRNWSASBJWUJJA-FPCVCCKLSA-N 0 3 272.392 2.088 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NC1(COC)CCCCC1 ZINC001263162683 812372241 /nfs/dbraw/zinc/37/22/41/812372241.db2.gz RQROSXUMIYSWDS-ZDUSSCGKSA-N 0 3 268.401 2.136 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC=CCC1)C2 ZINC001097653051 812386185 /nfs/dbraw/zinc/38/61/85/812386185.db2.gz BFCZSIUVGYXVHH-VQHPVUNQSA-N 0 3 286.419 2.478 20 30 CEEDHN CCN(CCC#N)[C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172789933 815523416 /nfs/dbraw/zinc/52/34/16/815523416.db2.gz APHHPHDVFJYUGH-QWHCGFSZSA-N 0 3 252.358 2.344 20 30 CEEDHN C(#Cc1ccccc1)CNc1ccc2c(n1)CNCC2 ZINC001170425844 812437473 /nfs/dbraw/zinc/43/74/73/812437473.db2.gz HDBGBIBESGXSFP-UHFFFAOYSA-N 0 3 263.344 2.191 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2ccccc2CC)CC1 ZINC001052664333 812442882 /nfs/dbraw/zinc/44/28/82/812442882.db2.gz LJTXNBIPHXDWLA-INIZCTEOSA-N 0 3 284.403 2.467 20 30 CEEDHN C=CCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C)nc3C)C[C@H]21 ZINC001114005723 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C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)OCCCCCC ZINC001114282521 812490142 /nfs/dbraw/zinc/49/01/42/812490142.db2.gz AUHMHXYTXRVNLE-CAOSSQGBSA-N 0 3 294.439 2.204 20 30 CEEDHN C#C[C@@](C)(CC)NC[C@@](O)(CCCCCC)C(=O)OC ZINC001170450659 812496363 /nfs/dbraw/zinc/49/63/63/812496363.db2.gz CZTXJKMYUYWYMT-HOTGVXAUSA-N 0 3 283.412 2.252 20 30 CEEDHN C#CCNCCNC(=O)c1ccc(C(C)(C)CC)cc1 ZINC001130059010 812529818 /nfs/dbraw/zinc/52/98/18/812529818.db2.gz QBJIGGFNSGHGRY-UHFFFAOYSA-N 0 3 272.392 2.327 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)/C=C(\C)C1CC1)C2 ZINC001054092452 812534636 /nfs/dbraw/zinc/53/46/36/812534636.db2.gz KPGFOBWALQUSGD-NKAIQICCSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)C(C)(F)F)C2 ZINC001054199129 812548566 /nfs/dbraw/zinc/54/85/66/812548566.db2.gz NWFGKTLNBFICPJ-CJNGLKHVSA-N 0 3 298.377 2.225 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C1(CF)CC1)C2 ZINC001054196235 812549744 /nfs/dbraw/zinc/54/97/44/812549744.db2.gz WNXFRICFDJPQHL-INIZCTEOSA-N 0 3 292.398 2.074 20 30 CEEDHN Cc1ccc2ncc(CN3CCC4SC(=O)C=C4C3)n2c1 ZINC001137305965 812599321 /nfs/dbraw/zinc/59/93/21/812599321.db2.gz CFLABMOOHOBDMT-AWEZNQCLSA-N 0 3 299.399 2.417 20 30 CEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCCC)C[C@H](C)O2 ZINC001131629959 812697764 /nfs/dbraw/zinc/69/77/64/812697764.db2.gz ZWWVBOXBCVFGCY-RDJZCZTQSA-N 0 3 294.439 2.445 20 30 CEEDHN CC[C@H](CC#N)NCC[C@@H]1COc2ccccc2O1 ZINC001255162953 812721695 /nfs/dbraw/zinc/72/16/95/812721695.db2.gz AKAQRVYOQATYHB-CHWSQXEVSA-N 0 3 260.337 2.498 20 30 CEEDHN C=CCOCCN1C[C@H](NC(=O)C=C(C)C)CC[C@H]1C ZINC001131776864 812724419 /nfs/dbraw/zinc/72/44/19/812724419.db2.gz XONIZHDKDGRICR-HUUCEWRRSA-N 0 3 280.412 2.124 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)CCOC(C)C)CC[C@H]1C ZINC001131821578 812731570 /nfs/dbraw/zinc/73/15/70/812731570.db2.gz QVNBYYGFOWXSCR-HUUCEWRRSA-N 0 3 282.428 2.347 20 30 CEEDHN C=CCOCCN1C[C@H](NC(=O)CCCC)CC[C@@H]1C ZINC001131856802 812745049 /nfs/dbraw/zinc/74/50/49/812745049.db2.gz REMMFBFTUGCQAK-LSDHHAIUSA-N 0 3 282.428 2.348 20 30 CEEDHN C=CCOCCN1C[C@H](NC(=O)CC2CCC2)CC[C@@H]1C ZINC001131931115 812752872 /nfs/dbraw/zinc/75/28/72/812752872.db2.gz NHNCHGHESGUILX-GOEBONIOSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCOCCN1C[C@@H](NC(=O)CCC2CC2)CC[C@@H]1C ZINC001131923555 812756728 /nfs/dbraw/zinc/75/67/28/812756728.db2.gz RXLBFKYNWOKMCZ-HOCLYGCPSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132037899 812777310 /nfs/dbraw/zinc/77/73/10/812777310.db2.gz KPZPDXOBPDKFDI-CABCVRRESA-N 0 3 274.408 2.028 20 30 CEEDHN C=CCOCCN1C[C@@H](NC(=O)C2(C)CCC2)CC[C@H]1C ZINC001132225378 812804982 /nfs/dbraw/zinc/80/49/82/812804982.db2.gz VXHKHSIWEMFYHO-CABCVRRESA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCCCC(=O)N[C@H]1CC[C@@H](C)N(CC=C)C1 ZINC001132256013 812814635 /nfs/dbraw/zinc/81/46/35/812814635.db2.gz INGXMLBABLYIAY-KGLIPLIRSA-N 0 3 250.386 2.498 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)C(F)F)CC[C@@H]1C ZINC001132288789 812822720 /nfs/dbraw/zinc/82/27/20/812822720.db2.gz 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/nfs/dbraw/zinc/87/48/81/812874881.db2.gz MXCJWGANOKYWIJ-CVEARBPZSA-N 0 3 289.423 2.423 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CCc2cscn2)CC[C@H]1C ZINC001132549435 812887316 /nfs/dbraw/zinc/88/73/16/812887316.db2.gz QUCASRVPBOLFHH-CHWSQXEVSA-N 0 3 293.436 2.231 20 30 CEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1ccc(Cl)nc1 ZINC001132564745 812890898 /nfs/dbraw/zinc/89/08/98/812890898.db2.gz JYGPONPUJUBCCK-NWDGAFQWSA-N 0 3 295.814 2.399 20 30 CEEDHN CC#CCCCC(=O)NCCNCc1ccc(C#N)s1 ZINC001132591738 812903865 /nfs/dbraw/zinc/90/38/65/812903865.db2.gz VBTAYKMNADOOQZ-UHFFFAOYSA-N 0 3 289.404 2.019 20 30 CEEDHN CC1(C)CC[C@@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001132635448 812908361 /nfs/dbraw/zinc/90/83/61/812908361.db2.gz BDPNUTYVLZAUCK-CYBMUJFWSA-N 0 3 291.420 2.262 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1cccnc1C ZINC001132654129 812914701 /nfs/dbraw/zinc/91/47/01/812914701.db2.gz ZFUUVXQOEOXACK-ZDUSSCGKSA-N 0 3 275.396 2.198 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)CC2CCCC2)CC1 ZINC001052169342 812939815 /nfs/dbraw/zinc/93/98/15/812939815.db2.gz LRKGPOMHROQAEN-OAHLLOKOSA-N 0 3 262.397 2.171 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)c2occc2C)CC1 ZINC001052210361 812946697 /nfs/dbraw/zinc/94/66/97/812946697.db2.gz IEADXGZTVFTDFB-AWEZNQCLSA-N 0 3 274.364 2.196 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H](C)C2CCC2)CC1 ZINC001052485752 812997119 /nfs/dbraw/zinc/99/71/19/812997119.db2.gz CSPJCNXXOYNDBG-GOEBONIOSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)CC1 ZINC001052592138 813010170 /nfs/dbraw/zinc/01/01/70/813010170.db2.gz VOJQFXFRANXLJA-OAHLLOKOSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc[nH]c2C(C)C)CC1 ZINC001052645010 813020657 /nfs/dbraw/zinc/02/06/57/813020657.db2.gz FIVAQSXXRZUKOK-CQSZACIVSA-N 0 3 287.407 2.356 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2nc(Cl)cs2)CC1 ZINC001052657245 813022455 /nfs/dbraw/zinc/02/24/55/813022455.db2.gz STFQITSDMLKDQK-JTQLQIEISA-N 0 3 297.811 2.014 20 30 CEEDHN C#C[C@@](C)(CC)NC[C@@H](O)c1cc(OC)ccc1OC ZINC000384195403 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ZINC001071439314 813406682 /nfs/dbraw/zinc/40/66/82/813406682.db2.gz AJZHIGMBGWGVJO-ZBFHGGJFSA-N 0 3 287.407 2.169 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001071501168 813424210 /nfs/dbraw/zinc/42/42/10/813424210.db2.gz KKOOPQVGLNONAP-CJNGLKHVSA-N 0 3 274.408 2.479 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccn(C)c2C)CC[C@@H]1C ZINC001071811953 813487418 /nfs/dbraw/zinc/48/74/18/813487418.db2.gz QWEFYBAEARSUEU-DZGCQCFKSA-N 0 3 289.423 2.492 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C2CC3(CC3)C2)CC[C@H]1C ZINC001071817949 813490442 /nfs/dbraw/zinc/49/04/42/813490442.db2.gz JBJMSZQQOXJESM-HIFRSBDPSA-N 0 3 274.408 2.169 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2[nH]c(C)nc2C)CC[C@@H]1C ZINC001071831482 813493231 /nfs/dbraw/zinc/49/32/31/813493231.db2.gz HLCGSUGLNRYTIW-SMDDNHRTSA-N 0 3 290.411 2.185 20 30 CEEDHN CC(C)C[C@@H](C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001135868197 813544804 /nfs/dbraw/zinc/54/48/04/813544804.db2.gz MCFCNPPUNOJCOW-CQSZACIVSA-N 0 3 287.407 2.446 20 30 CEEDHN CC(C)C[C@H](C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001135873074 813552139 /nfs/dbraw/zinc/55/21/39/813552139.db2.gz YQARUDMKLGNTPL-AWEZNQCLSA-N 0 3 287.407 2.446 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3ccccc3F)C2)C1 ZINC001072405996 813584474 /nfs/dbraw/zinc/58/44/74/813584474.db2.gz QSQATKMGQSHSOX-UHFFFAOYSA-N 0 3 274.339 2.160 20 30 CEEDHN CC[C@@]1(C)C[C@H]1C(=O)NCCNCc1cccc(C#N)c1 ZINC001136088033 813604774 /nfs/dbraw/zinc/60/47/74/813604774.db2.gz RXUJSIKQUMMRHH-RDJZCZTQSA-N 0 3 285.391 2.200 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C(C)=C3CCCC3)C2)C1 ZINC001072607828 813622881 /nfs/dbraw/zinc/62/28/81/813622881.db2.gz LSPVYVFUQVVPAR-UHFFFAOYSA-N 0 3 286.419 2.435 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3cc(C)nc(C)c3)C2)C1 ZINC001072783036 813656866 /nfs/dbraw/zinc/65/68/66/813656866.db2.gz PYWQMZNJOCKJKH-UHFFFAOYSA-N 0 3 285.391 2.032 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)CC3CC(C)(C)C3)C2)C1 ZINC001072911289 813687979 /nfs/dbraw/zinc/68/79/79/813687979.db2.gz VDJWKXYCKUPGHM-UHFFFAOYSA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3cc(C(C)C)no3)C2)C1 ZINC001073035853 813715821 /nfs/dbraw/zinc/71/58/21/813715821.db2.gz WVAARHREKSSQLY-UHFFFAOYSA-N 0 3 289.379 2.132 20 30 CEEDHN C=CCOC(=O)[C@@H](N)CCCCNc1nccc(C)c1C ZINC001171068368 813798624 /nfs/dbraw/zinc/79/86/24/813798624.db2.gz XEDUCDGJGOYNKK-AWEZNQCLSA-N 0 3 291.395 2.337 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccco2)C1 ZINC001090895345 813880172 /nfs/dbraw/zinc/88/01/72/813880172.db2.gz ZWHDVFZKMZRKIR-UHFFFAOYSA-N 0 3 268.744 2.130 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1[C@H]3[C@@H]1[C@@H]1CC[C@H]3C1)C2 ZINC001098481885 813925610 /nfs/dbraw/zinc/92/56/10/813925610.db2.gz GAMUBGZVSVMKHV-ZFASMULZSA-N 0 3 298.430 2.023 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CC(C)C2)C1 ZINC001098783780 813950425 /nfs/dbraw/zinc/95/04/25/813950425.db2.gz QLIFLFRVZMKMNA-UJJWPFCGSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC2(F)F)C1 ZINC001098897386 813962678 /nfs/dbraw/zinc/96/26/78/813962678.db2.gz ZIHIQAVQWOPPBH-SCRDCRAPSA-N 0 3 284.350 2.188 20 30 CEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)COC ZINC001098961425 813968273 /nfs/dbraw/zinc/96/82/73/813968273.db2.gz XZRZUHYZDUEPHY-GJZGRUSLSA-N 0 3 296.455 2.452 20 30 CEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C#CC1CC1 ZINC001099065662 813983887 /nfs/dbraw/zinc/98/38/87/813983887.db2.gz WENVEKZHXZTETN-MRXNPFEDSA-N 0 3 286.419 2.030 20 30 CEEDHN C=CCCC(=O)N[C@@H]1CCN(CC2=CCCCC2)C[C@@H]1O ZINC001099726025 814029846 /nfs/dbraw/zinc/02/98/46/814029846.db2.gz CTFAUIAMDZZQNV-CVEARBPZSA-N 0 3 292.423 2.004 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)n1ncc2c1CCNC2 ZINC001171211471 814159540 /nfs/dbraw/zinc/15/95/40/814159540.db2.gz ZXFFTVMONBGANN-GFCCVEGCSA-N 0 3 266.348 2.204 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)CCn2cccc2)C1 ZINC001100786830 814188879 /nfs/dbraw/zinc/18/88/79/814188879.db2.gz BHGZOIJPVGNXNY-UHFFFAOYSA-N 0 3 295.814 2.115 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001091259747 814200035 /nfs/dbraw/zinc/20/00/35/814200035.db2.gz LZWQLLNDRFKXOO-UHFFFAOYSA-N 0 3 295.814 2.482 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cccn2CC)C1 ZINC001091366347 814220531 /nfs/dbraw/zinc/22/05/31/814220531.db2.gz QOBGYFIEIDUKQZ-UHFFFAOYSA-N 0 3 295.814 2.359 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C3CCCCC3)C[C@]2(C)C1 ZINC001091447324 814245177 /nfs/dbraw/zinc/24/51/77/814245177.db2.gz FUWIQMBDCBECKI-AEFFLSMTSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C3(CCC=C)CC3)C[C@]2(C)C1 ZINC001101354265 814251267 /nfs/dbraw/zinc/25/12/67/814251267.db2.gz YHOMVPRPSTVITD-WBVHZDCISA-N 0 3 286.419 2.146 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C(CC)CC)C1 ZINC001149220382 814273788 /nfs/dbraw/zinc/27/37/88/814273788.db2.gz CWTZFIWREDZPCY-HNNXBMFYSA-N 0 3 282.428 2.206 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)CCCCC)C2)C1 ZINC001147021569 814370267 /nfs/dbraw/zinc/37/02/67/814370267.db2.gz LFGJBJMQIIGWSQ-UHFFFAOYSA-N 0 3 262.397 2.124 20 30 CEEDHN CCCCCCCCC(=O)NCCNCc1cnn(C)c1 ZINC001148727706 814607372 /nfs/dbraw/zinc/60/73/72/814607372.db2.gz HKBYQEJIBLBFCE-UHFFFAOYSA-N 0 3 294.443 2.377 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C=C(C)C)C2)CC1 ZINC001086899296 814646333 /nfs/dbraw/zinc/64/63/33/814646333.db2.gz GMSYRPVDNIVCEJ-HNNXBMFYSA-N 0 3 274.408 2.289 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](C)SC)C2)CC1 ZINC001086904864 814647674 /nfs/dbraw/zinc/64/76/74/814647674.db2.gz OBOLXADUERZCKS-UONOGXRCSA-N 0 3 294.464 2.074 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC(C)(C)C ZINC001115003356 814672744 /nfs/dbraw/zinc/67/27/44/814672744.db2.gz NWYLKXRIWFLMBM-IMRBUKKESA-N 0 3 250.386 2.045 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2ccoc2C2CC2)[C@H](C)C1 ZINC001092912689 814732868 /nfs/dbraw/zinc/73/28/68/814732868.db2.gz VLDIJGNZFWZJNB-TZMCWYRMSA-N 0 3 286.375 2.088 20 30 CEEDHN C=CCO[C@H]1CCN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC001116541607 814862445 /nfs/dbraw/zinc/86/24/45/814862445.db2.gz JYZORZGQYZOEQF-HNNXBMFYSA-N 0 3 284.363 2.044 20 30 CEEDHN C#CCCOc1ccc(CN[C@@H](C=C)COC)cc1 ZINC001116643033 814872195 /nfs/dbraw/zinc/87/21/95/814872195.db2.gz HALWNMWMBPRDNX-HNNXBMFYSA-N 0 3 259.349 2.379 20 30 CEEDHN CCCCN1CCN(Cc2ccc(OC)cc2C#N)CC1 ZINC001137703249 815668125 /nfs/dbraw/zinc/66/81/25/815668125.db2.gz GRAZKFMRWSHQAF-UHFFFAOYSA-N 0 3 287.407 2.485 20 30 CEEDHN CCOC(=O)c1c(CN)ncn1C1CCC(CC#N)CC1 ZINC001173323860 815674093 /nfs/dbraw/zinc/67/40/93/815674093.db2.gz BOVRETGAJJRJOV-UHFFFAOYSA-N 0 3 290.367 2.163 20 30 CEEDHN C=CCOC1CCC(N(CC)[C@@H](C)C(=O)OC)CC1 ZINC001173325602 815676419 /nfs/dbraw/zinc/67/64/19/815676419.db2.gz NLFGPJLSZICNIQ-HSBZDZAISA-N 0 3 269.385 2.384 20 30 CEEDHN CC1(C#N)CCC(NCC(=O)c2cccnc2)CC1 ZINC001173588953 815754440 /nfs/dbraw/zinc/75/44/40/815754440.db2.gz SWGFBVWYNYZAJB-UHFFFAOYSA-N 0 3 257.337 2.326 20 30 CEEDHN CC1(C#N)CCC(N2CCN(c3ncccn3)CC2)CC1 ZINC001173592421 815755680 /nfs/dbraw/zinc/75/56/80/815755680.db2.gz NUPIGRUACZOYMP-UHFFFAOYSA-N 0 3 285.395 2.071 20 30 CEEDHN CCOC(=O)[C@@H]1CC12CCC(N[C@@H](C)CC#N)CC2 ZINC001173603174 815759956 /nfs/dbraw/zinc/75/99/56/815759956.db2.gz ATCNNRIEUKPOON-SDFYHXNISA-N 0 3 264.369 2.390 20 30 CEEDHN CCCn1ncc(CN2CCC3SC(=O)C=C3C2)c1C ZINC001138635156 815851339 /nfs/dbraw/zinc/85/13/39/815851339.db2.gz MCAUGVVMGPKWJJ-AWEZNQCLSA-N 0 3 291.420 2.376 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C#CC2CC2)C12CCC2 ZINC001202889044 815950812 /nfs/dbraw/zinc/95/08/12/815950812.db2.gz VNZYNYCFRASSQG-UONOGXRCSA-N 0 3 292.810 2.169 20 30 CEEDHN C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)CC[C@@H]1O ZINC001139526232 816037173 /nfs/dbraw/zinc/03/71/73/816037173.db2.gz XNKGDVORFMSRTO-ABAIWWIYSA-N 0 3 262.328 2.290 20 30 CEEDHN Cc1ccc(CN2CC[C@H]3[C@@H](CCC(=O)N3C)C2)cc1C#N ZINC001139727269 816096611 /nfs/dbraw/zinc/09/66/11/816096611.db2.gz LKMCDFYXTFORHD-RDJZCZTQSA-N 0 3 297.402 2.309 20 30 CEEDHN CCN(CCN1CCOCC1)Cc1ccc(C)c(C#N)c1 ZINC001139725950 816096734 /nfs/dbraw/zinc/09/67/34/816096734.db2.gz LBELUAJJBUXFOM-UHFFFAOYSA-N 0 3 287.407 2.021 20 30 CEEDHN Cc1ccc(CN2CCC3(CC(=O)N(C)C3)CC2)cc1C#N ZINC001139727601 816097290 /nfs/dbraw/zinc/09/72/90/816097290.db2.gz WNEWHRWCWNIUFQ-UHFFFAOYSA-N 0 3 297.402 2.311 20 30 CEEDHN COC(=O)CCN(Cc1ccc(C)c(C#N)c1)C1CC1 ZINC001139726884 816097461 /nfs/dbraw/zinc/09/74/61/816097461.db2.gz AECHRTMQBFJGRI-UHFFFAOYSA-N 0 3 272.348 2.394 20 30 CEEDHN C[C@@H]1CN(Cc2cc(F)cc(C#N)c2)CCC[C@H]1O ZINC001139873281 816132959 /nfs/dbraw/zinc/13/29/59/816132959.db2.gz ICQSLFQPQDKDNG-IAQYHMDHSA-N 0 3 262.328 2.290 20 30 CEEDHN C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001110181040 816140651 /nfs/dbraw/zinc/14/06/51/816140651.db2.gz OPNOWJGVRXWDFY-PMPSAXMXSA-N 0 3 292.423 2.267 20 30 CEEDHN CCN1CCN(c2ccc(-n3ccc(C#N)c3N)cc2)CC1 ZINC001175782813 816282851 /nfs/dbraw/zinc/28/28/51/816282851.db2.gz DZOSUWWFUMYNGV-UHFFFAOYSA-N 0 3 295.390 2.073 20 30 CEEDHN N#Cc1cccc(CN2CCN3CC[C@@H]3C2)c1Cl ZINC001140814849 816373104 /nfs/dbraw/zinc/37/31/04/816373104.db2.gz RVBUTTQPLSGXJS-CYBMUJFWSA-N 0 3 261.756 2.102 20 30 CEEDHN C#CCN(CCOc1ccc2c(c1)OCO2)C(C)C ZINC001176373619 816406088 /nfs/dbraw/zinc/40/60/88/816406088.db2.gz UVGXAVQVODPLLH-UHFFFAOYSA-N 0 3 261.321 2.138 20 30 CEEDHN SC1CCN(Cc2cccc3c2OCO3)CC1 ZINC001141958530 816604104 /nfs/dbraw/zinc/60/41/04/816604104.db2.gz KCLJMTGAZRAPIR-UHFFFAOYSA-N 0 3 251.351 2.310 20 30 CEEDHN Cc1c[nH]nc1NC(=O)C(C#N)Cc1cccs1 ZINC001177905143 816641001 /nfs/dbraw/zinc/64/10/01/816641001.db2.gz WDIBGFMUAOEKQG-SECBINFHSA-N 0 3 260.322 2.101 20 30 CEEDHN CC(=O)N1CC[C@H](NCC#Cc2ccccc2Cl)[C@@H]1C ZINC001177991630 816661854 /nfs/dbraw/zinc/66/18/54/816661854.db2.gz NZFBXEOYLDBABF-LRDDRELGSA-N 0 3 290.794 2.290 20 30 CEEDHN C=CCCC(=O)N1CC[C@H](NCc2cccnc2)[C@@H]1C ZINC001178320562 816726171 /nfs/dbraw/zinc/72/61/71/816726171.db2.gz YGHOVRSFVJNHDS-ZFWWWQNUSA-N 0 3 273.380 2.127 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)/C=C\C(C)(C)C)C1 ZINC001149410070 816861972 /nfs/dbraw/zinc/86/19/72/816861972.db2.gz XKCNVOUSJGZWCL-ZPIQOJFGSA-N 0 3 294.439 2.372 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](O)CCc2ccccc2)o1 ZINC000273053916 192032062 /nfs/dbraw/zinc/03/20/62/192032062.db2.gz CVPLQGCTPAEPGW-AWEZNQCLSA-N 0 3 270.332 2.235 20 30 CEEDHN N#Cc1cccc(CNC[C@@H](O)COCc2ccccc2)c1 ZINC000079720729 343988686 /nfs/dbraw/zinc/98/86/86/343988686.db2.gz USDGUWBOOZLTTQ-GOSISDBHSA-N 0 3 296.370 2.226 20 30 CEEDHN N#Cc1ccc(OCCN2CCCC[C@H]2CCO)cc1 ZINC000034652562 361793377 /nfs/dbraw/zinc/79/33/77/361793377.db2.gz WAEHRUBBIUYJSO-HNNXBMFYSA-N 0 3 274.364 2.174 20 30 CEEDHN CN(Cc1cc(C#N)cs1)[C@H]1CC[C@H](O)CC1 ZINC000336530188 365604002 /nfs/dbraw/zinc/60/40/02/365604002.db2.gz RWUORTDYJBPDKP-HAQNSBGRSA-N 0 3 250.367 2.355 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@H](c2cccc(C)c2)C1 ZINC000273074777 192037437 /nfs/dbraw/zinc/03/74/37/192037437.db2.gz JZCSXQZQJVMVHU-GDBMZVCRSA-N 0 3 272.392 2.475 20 30 CEEDHN C=C(C)COCCNCc1cnn(C(C)(C)C)c1 ZINC000125780991 365686220 /nfs/dbraw/zinc/68/62/20/365686220.db2.gz NGGOORJVJVNVTO-UHFFFAOYSA-N 0 3 251.374 2.320 20 30 CEEDHN Cc1nn(C)c(C)c1CCNCc1cc(C#N)cs1 ZINC000177683498 312722941 /nfs/dbraw/zinc/72/29/41/312722941.db2.gz DONNMOPCVBNYBF-UHFFFAOYSA-N 0 3 274.393 2.302 20 30 CEEDHN CN(C(=O)C1(c2cccc(C#N)c2)CC1)[C@@H]1CCCN(C)C1 ZINC000336590444 365686894 /nfs/dbraw/zinc/68/68/94/365686894.db2.gz RYQATSGWCQDSPL-MRXNPFEDSA-N 0 3 297.402 2.142 20 30 CEEDHN C[C@@H]1CN(C(=O)C2(C#N)CC3(CC3)C2)CCN(C2CC2)C1 ZINC000601605223 346859210 /nfs/dbraw/zinc/85/92/10/346859210.db2.gz XCIPIPCGHBUBOL-ZDUSSCGKSA-N 0 3 287.407 2.013 20 30 CEEDHN N#Cc1ccc(CNCCCOC(F)F)c(F)c1 ZINC000337844342 214283575 /nfs/dbraw/zinc/28/35/75/214283575.db2.gz HGQGYUYIVWGXKV-UHFFFAOYSA-N 0 3 258.243 2.416 20 30 CEEDHN CC[C@@H](C)[C@@H](C)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000158824434 529393754 /nfs/dbraw/zinc/39/37/54/529393754.db2.gz UZYFELSVOYSUPX-CHWSQXEVSA-N 0 3 294.420 2.356 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(OCC)cc1 ZINC000078347455 539168242 /nfs/dbraw/zinc/16/82/42/539168242.db2.gz LRXKEWGFWDEVGU-CHWSQXEVSA-N 0 3 276.380 2.427 20 30 CEEDHN N#Cc1ccc(OCCN2CCCSCC2)cc1 ZINC000042294798 362078615 /nfs/dbraw/zinc/07/86/15/362078615.db2.gz MIHVCQNVTSCNNB-UHFFFAOYSA-N 0 3 262.378 2.376 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCCC(C)(C)CC1 ZINC000127103831 365732663 /nfs/dbraw/zinc/73/26/63/365732663.db2.gz ZFTAIHTWBVJQIK-ZDUSSCGKSA-N 0 3 265.401 2.259 20 30 CEEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1C ZINC000047359188 362205821 /nfs/dbraw/zinc/20/58/21/362205821.db2.gz QHLNJAQHMUPSPM-SNVBAGLBSA-N 0 3 279.303 2.095 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN([C@@H](C)C1CC1)C1CC1 ZINC000047908340 362231163 /nfs/dbraw/zinc/23/11/63/362231163.db2.gz MBKABFISDFKGIT-LRDDRELGSA-N 0 3 277.412 2.304 20 30 CEEDHN N#CC1(C[C@@H](O)CN2CC(Cc3cccs3)C2)CC1 ZINC000601964832 346945315 /nfs/dbraw/zinc/94/53/15/346945315.db2.gz PYZXRLABZJECJC-CYBMUJFWSA-N 0 3 276.405 2.277 20 30 CEEDHN CN(CCNC(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000053348837 343573585 /nfs/dbraw/zinc/57/35/85/343573585.db2.gz ZIXQRZFLSZLKBD-UHFFFAOYSA-N 0 3 293.370 2.420 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCCC(F)(F)CC1 ZINC000601970683 346946189 /nfs/dbraw/zinc/94/61/89/346946189.db2.gz ONEGZXSGXITYIT-NSHDSACASA-N 0 3 273.327 2.045 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC(CC)CC1 ZINC000052279650 343559199 /nfs/dbraw/zinc/55/91/99/343559199.db2.gz DQHQMOQHIRQFKT-UHFFFAOYSA-N 0 3 250.386 2.309 20 30 CEEDHN C=C[C@H](C)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000128179020 365779221 /nfs/dbraw/zinc/77/92/21/365779221.db2.gz KASVBLQVEIVZPA-AWEZNQCLSA-N 0 3 287.407 2.309 20 30 CEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cccc(C#N)c1 ZINC000055401712 343602940 /nfs/dbraw/zinc/60/29/40/343602940.db2.gz RTWUJLANOKZKCQ-UONOGXRCSA-N 0 3 285.391 2.408 20 30 CEEDHN C[C@@H](N(C)Cc1ccc(F)c(C#N)c1)C(C)(C)O ZINC000295042193 199315324 /nfs/dbraw/zinc/31/53/24/199315324.db2.gz AMTGGNCEVBGUCD-SNVBAGLBSA-N 0 3 250.317 2.289 20 30 CEEDHN CN(CCNC(=O)C1(C#N)CCCC1)Cc1ccccc1 ZINC000056191977 343613637 /nfs/dbraw/zinc/61/36/37/343613637.db2.gz HZXQMGQNWUMQCH-UHFFFAOYSA-N 0 3 285.391 2.319 20 30 CEEDHN C[C@H](CNC(=O)N1CCC(C#N)CC1)N1CCCC[C@@H]1C ZINC000060989390 343664173 /nfs/dbraw/zinc/66/41/73/343664173.db2.gz DSLSBDQHPQMEIP-UONOGXRCSA-N 0 3 292.427 2.194 20 30 CEEDHN C=C[C@@H](CC(=O)NCCN(C)CCOC)c1ccccc1 ZINC000126914493 187269740 /nfs/dbraw/zinc/26/97/40/187269740.db2.gz WOAOAELXTCFATR-HNNXBMFYSA-N 0 3 290.407 2.041 20 30 CEEDHN CC(C)CN(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000065962672 343705299 /nfs/dbraw/zinc/70/52/99/343705299.db2.gz QBNIFOHXZLLCGT-UHFFFAOYSA-N 0 3 265.401 2.259 20 30 CEEDHN C[C@@H](CO)CCCNCc1cccc(F)c1C#N ZINC000602016106 346959797 /nfs/dbraw/zinc/95/97/97/346959797.db2.gz UVYKCXCJFCJSGE-LLVKDONJSA-N 0 3 250.317 2.196 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000066896490 343724600 /nfs/dbraw/zinc/72/46/00/343724600.db2.gz LFZFWMSVDSEPHV-CQSZACIVSA-N 0 3 290.407 2.346 20 30 CEEDHN CCCN1CC[C@@H](NCc2cccc(F)c2C#N)C1 ZINC000602018842 346961621 /nfs/dbraw/zinc/96/16/21/346961621.db2.gz AISNZJRFYHPGRL-CYBMUJFWSA-N 0 3 261.344 2.271 20 30 CEEDHN CN(CC(=O)N(CC#N)C1CCCC1)CC(C)(C)C ZINC000602103343 346974166 /nfs/dbraw/zinc/97/41/66/346974166.db2.gz OYRMUMPCFORUED-UHFFFAOYSA-N 0 3 265.401 2.259 20 30 CEEDHN CN(CCCNC(=O)C1CCC1)CCC(C)(C)C#N ZINC000347156678 529888430 /nfs/dbraw/zinc/88/84/30/529888430.db2.gz NPQXHJMCMMIAKM-UHFFFAOYSA-N 0 3 265.401 2.164 20 30 CEEDHN CN(CC(=O)N1CCC[C@@H](CC#N)C1)CC(C)(C)C ZINC000602177054 346989384 /nfs/dbraw/zinc/98/93/84/346989384.db2.gz CKFRTXFJJWZBAG-ZDUSSCGKSA-N 0 3 265.401 2.117 20 30 CEEDHN CN(CC(=O)N(C)[C@H]1CCC[C@H]1C#N)CC(C)(C)C ZINC000602193365 346991506 /nfs/dbraw/zinc/99/15/06/346991506.db2.gz AMDPPTHTEZFCGG-STQMWFEESA-N 0 3 265.401 2.115 20 30 CEEDHN CC[C@H](CO)N1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000075956166 343873733 /nfs/dbraw/zinc/87/37/33/343873733.db2.gz OTUPGTHCBGKSPU-RHSMWYFYSA-N 0 3 287.407 2.008 20 30 CEEDHN Cc1nnc(N2CCC[C@@H](N3CCCC3)C2)c(C#N)c1C ZINC000076836041 343899577 /nfs/dbraw/zinc/89/95/77/343899577.db2.gz NEMQGIULDCQUKB-CQSZACIVSA-N 0 3 285.395 2.030 20 30 CEEDHN CN(CCc1ccncc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000048260064 362251854 /nfs/dbraw/zinc/25/18/54/362251854.db2.gz NSJQAYYZCRKLRZ-KRWDZBQOSA-N 0 3 281.359 2.161 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@H](C)C[C@@H](C)O ZINC000077427738 343920390 /nfs/dbraw/zinc/92/03/90/343920390.db2.gz IWSYRTBWLKOOOA-UONOGXRCSA-N 0 3 261.365 2.195 20 30 CEEDHN N#Cc1cccc(CN2CCN(CC3CC3)CC2)c1 ZINC000048327199 362256233 /nfs/dbraw/zinc/25/62/33/362256233.db2.gz HVXSTXBHMHXKJF-UHFFFAOYSA-N 0 3 255.365 2.086 20 30 CEEDHN C[C@@H](CNC(=O)C1(C#N)CCCC1)N1CCC[C@@H](C)C1 ZINC000049094815 362337424 /nfs/dbraw/zinc/33/74/24/362337424.db2.gz BRMSQNHPUOYBMJ-KGLIPLIRSA-N 0 3 277.412 2.307 20 30 CEEDHN C=CCCC[C@H](C)N1CCN(c2nccc(OC)n2)CC1 ZINC000091510987 344166630 /nfs/dbraw/zinc/16/66/30/344166630.db2.gz OMQLDWZPTYNPKW-AWEZNQCLSA-N 0 3 290.411 2.352 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(c2nccn2C)CC1 ZINC000091632024 344169566 /nfs/dbraw/zinc/16/95/66/344169566.db2.gz KNLJNUBOOKBPMJ-CQSZACIVSA-N 0 3 262.401 2.287 20 30 CEEDHN C[C@@H](O)C[C@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000123725764 344311280 /nfs/dbraw/zinc/31/12/80/344311280.db2.gz GGXHEZVUXQHMOD-IUODEOHRSA-N 0 3 259.353 2.079 20 30 CEEDHN N#Cc1ccc(CN2CCN(c3ccncc3)CC2)c(F)c1 ZINC000125254730 344318867 /nfs/dbraw/zinc/31/88/67/344318867.db2.gz HGFWFOQAPGFCOP-UHFFFAOYSA-N 0 3 296.349 2.415 20 30 CEEDHN C=CCCN1CCN(Cc2ccccc2OC)CC1 ZINC000132788259 344365343 /nfs/dbraw/zinc/36/53/43/344365343.db2.gz WDVXPBDAFVEQTD-UHFFFAOYSA-N 0 3 260.381 2.389 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCCCC[C@@H]1CO ZINC000133520321 344369045 /nfs/dbraw/zinc/36/90/45/344369045.db2.gz GSWOBLHFANUBJV-OAHLLOKOSA-N 0 3 274.364 2.304 20 30 CEEDHN C=CCCOCC(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000138733040 344390824 /nfs/dbraw/zinc/39/08/24/344390824.db2.gz AGUHWRCMGWBDDW-UHFFFAOYSA-N 0 3 282.428 2.158 20 30 CEEDHN C=CCCCN(C)Cc1ccc(C(=O)OC)n1C ZINC000602474071 347048531 /nfs/dbraw/zinc/04/85/31/347048531.db2.gz PJVVTYGQXAJINR-UHFFFAOYSA-N 0 3 250.342 2.210 20 30 CEEDHN CCOC(=O)CCN(C)Cc1ccc(C#N)cc1C ZINC000166226554 344475905 /nfs/dbraw/zinc/47/59/05/344475905.db2.gz IPZXFZRYDJYJAJ-UHFFFAOYSA-N 0 3 260.337 2.252 20 30 CEEDHN Cn1cccc1CNCc1ccc(OCC#N)cc1 ZINC000172629746 344496517 /nfs/dbraw/zinc/49/65/17/344496517.db2.gz DOGGNMPEKCBPBO-UHFFFAOYSA-N 0 3 255.321 2.217 20 30 CEEDHN N#Cc1cccc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)n1 ZINC000602484157 347054803 /nfs/dbraw/zinc/05/48/03/347054803.db2.gz HWZMIWWYXXABMM-KBXCAEBGSA-N 0 3 296.418 2.402 20 30 CEEDHN N#Cc1cc(CN2CCCCC[C@@H]2CO)ccc1F ZINC000236505407 344596114 /nfs/dbraw/zinc/59/61/14/344596114.db2.gz WAGXNNBGHIWGPS-CQSZACIVSA-N 0 3 262.328 2.434 20 30 CEEDHN CCC[C@H]1CN(C[C@@H](C)CCC#N)CCN1CCOC ZINC000602487737 347056923 /nfs/dbraw/zinc/05/69/23/347056923.db2.gz YLUWISQOSKZQJS-HOTGVXAUSA-N 0 3 281.444 2.359 20 30 CEEDHN CCC(CC)(CO)NCc1ccc(C#N)cc1F ZINC000053070805 362481062 /nfs/dbraw/zinc/48/10/62/362481062.db2.gz RKVZIGUQYJCXGZ-UHFFFAOYSA-N 0 3 250.317 2.338 20 30 CEEDHN C#CCOc1ccccc1CNCCc1cccnc1OC ZINC000289417975 344681865 /nfs/dbraw/zinc/68/18/65/344681865.db2.gz BCOWRFAWBHPBRC-UHFFFAOYSA-N 0 3 296.370 2.435 20 30 CEEDHN COC(=O)[C@@H]1CN([C@H](C)c2cccc(C#N)c2)C[C@H]1C ZINC000280216546 344674100 /nfs/dbraw/zinc/67/41/00/344674100.db2.gz AAUVFDAPIDRZON-LALPHHSUSA-N 0 3 272.348 2.360 20 30 CEEDHN N#Cc1cccc(CN[C@H]2COc3ccccc3C2)n1 ZINC000602537087 347069426 /nfs/dbraw/zinc/06/94/26/347069426.db2.gz YUNOJAUSOFKWEW-OAHLLOKOSA-N 0 3 265.316 2.047 20 30 CEEDHN C#CCCOc1ccc(CN(C)CCN(C)C)cc1 ZINC000289668531 344682597 /nfs/dbraw/zinc/68/25/97/344682597.db2.gz DGOXDELULUXPEO-UHFFFAOYSA-N 0 3 260.381 2.082 20 30 CEEDHN C#C[C@@H](NCc1cnc2c(c1)c(C)nn2C)C(C)(C)C ZINC000290155155 344682997 /nfs/dbraw/zinc/68/29/97/344682997.db2.gz LKFGUZSVNVNHEQ-CQSZACIVSA-N 0 3 270.380 2.414 20 30 CEEDHN COc1cc(CN[C@H](C)CC2(C#N)CCOCC2)ccn1 ZINC000602540428 347070190 /nfs/dbraw/zinc/07/01/90/347070190.db2.gz PJCXDGVDTBJPTK-CYBMUJFWSA-N 0 3 289.379 2.279 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000340643931 344769352 /nfs/dbraw/zinc/76/93/52/344769352.db2.gz XQLMSTHXAOJNBO-JKSUJKDBSA-N 0 3 294.439 2.445 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccccn1)C1CCC1 ZINC000602542769 347070746 /nfs/dbraw/zinc/07/07/46/347070746.db2.gz XBUGGPSMINUFRG-ZFWWWQNUSA-N 0 3 286.379 2.060 20 30 CEEDHN CC(C)[C@@H]1OCCC[C@H]1CNCc1cccc(C#N)n1 ZINC000602563791 347079097 /nfs/dbraw/zinc/07/90/97/347079097.db2.gz NWTLMDAUEGLAID-BBRMVZONSA-N 0 3 273.380 2.494 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000390774173 344837817 /nfs/dbraw/zinc/83/78/17/344837817.db2.gz LVEXLZSQSPIEJO-UKRRQHHQSA-N 0 3 273.380 2.173 20 30 CEEDHN CC1CC(C#N)(C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000382659466 344826627 /nfs/dbraw/zinc/82/66/27/344826627.db2.gz SNZQWQMNHCMUCK-NPCAHTBFSA-N 0 3 275.396 2.013 20 30 CEEDHN N#CC[C@@H]1CCCN(C[C@H](O)COCc2ccccc2)C1 ZINC000397577775 344851659 /nfs/dbraw/zinc/85/16/59/344851659.db2.gz GOSJMFCDEAESFA-RDJZCZTQSA-N 0 3 288.391 2.190 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC2(CCC2)[C@@H]1C(C)C ZINC000491337565 344910905 /nfs/dbraw/zinc/91/09/05/344910905.db2.gz BDLBUSVGEJFCJB-HNNXBMFYSA-N 0 3 291.439 2.162 20 30 CEEDHN CN1CCC[C@H](CNc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000584287864 344956624 /nfs/dbraw/zinc/95/66/24/344956624.db2.gz SBEXVOYLABYPQX-LLVKDONJSA-N 0 3 274.324 2.220 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)CCCCCC#N ZINC000588295249 345045716 /nfs/dbraw/zinc/04/57/16/345045716.db2.gz QTUHOTBKAVVVAK-AWEZNQCLSA-N 0 3 265.401 2.451 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc(F)c(C#N)c1 ZINC000586782819 345021328 /nfs/dbraw/zinc/02/13/28/345021328.db2.gz BYKNXODOVMECIT-AWEZNQCLSA-N 0 3 289.354 2.302 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](NCCOC[C@@H]1CCOC1)CC2 ZINC000589339184 345078547 /nfs/dbraw/zinc/07/85/47/345078547.db2.gz VYUUUMHEXVNHJC-PBHICJAKSA-N 0 3 286.375 2.188 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](NCCOC[C@H]1CCOC1)CC2 ZINC000589339189 345078661 /nfs/dbraw/zinc/07/86/61/345078661.db2.gz VYUUUMHEXVNHJC-WMLDXEAASA-N 0 3 286.375 2.188 20 30 CEEDHN CC[C@@H](C)N1CCN(CCOc2ccccc2C#N)CC1 ZINC000055066455 362542824 /nfs/dbraw/zinc/54/28/24/362542824.db2.gz PESFIAVAAXBKPB-OAHLLOKOSA-N 0 3 287.407 2.353 20 30 CEEDHN N#CC1(CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000590153517 345118132 /nfs/dbraw/zinc/11/81/32/345118132.db2.gz HRUXPSXBRVTXSH-MRXNPFEDSA-N 0 3 297.402 2.461 20 30 CEEDHN N#CCCOCCN1CCCc2sccc2C1 ZINC000590160108 345118494 /nfs/dbraw/zinc/11/84/94/345118494.db2.gz JOZXXYYNXSOKDP-UHFFFAOYSA-N 0 3 250.367 2.427 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCc3ccc(O)cc3CC2)C1 ZINC000590165347 345119390 /nfs/dbraw/zinc/11/93/90/345119390.db2.gz QBTIBVJECYBLCH-IUODEOHRSA-N 0 3 256.349 2.485 20 30 CEEDHN Cc1nocc1CNC1CCN(c2ccc(C#N)cn2)CC1 ZINC000590183691 345119759 /nfs/dbraw/zinc/11/97/59/345119759.db2.gz BLBDGORAHXXXPO-UHFFFAOYSA-N 0 3 297.362 2.008 20 30 CEEDHN COC(=O)C[C@@](C)(NC[C@H](C)CCC#N)c1ccncc1 ZINC000589823073 345100082 /nfs/dbraw/zinc/10/00/82/345100082.db2.gz YPNXQFQRPMAKRY-CZUORRHYSA-N 0 3 289.379 2.389 20 30 CEEDHN CC[C@H](NC1COCCOC1)c1ccc(C#N)cc1 ZINC000589949608 345105924 /nfs/dbraw/zinc/10/59/24/345105924.db2.gz DEHPRNNCZRAFAH-HNNXBMFYSA-N 0 3 260.337 2.014 20 30 CEEDHN CN1CC[C@@]2(CCN(C(=O)CCCCCC#N)C2)C1 ZINC000590014385 345110192 /nfs/dbraw/zinc/11/01/92/345110192.db2.gz NSVOSKJRQRRKTE-OAHLLOKOSA-N 0 3 263.385 2.015 20 30 CEEDHN N#CCc1cccc(NC(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000590855343 345190155 /nfs/dbraw/zinc/19/01/55/345190155.db2.gz IYAVTLOJXADUCB-INIZCTEOSA-N 0 3 298.390 2.455 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000590858565 345190799 /nfs/dbraw/zinc/19/07/99/345190799.db2.gz KFRNKIINIYJACN-HNNXBMFYSA-N 0 3 298.390 2.473 20 30 CEEDHN CC[C@@H](CN1CCCC1)Nc1ncc(C#N)cc1F ZINC000591147303 345225285 /nfs/dbraw/zinc/22/52/85/345225285.db2.gz RUZKEOUSWODYSD-LBPRGKRZSA-N 0 3 262.332 2.379 20 30 CEEDHN Cc1c(Cl)cnc(N2C[C@@H](C)NC[C@@H]2C)c1C#N ZINC000591433931 345252365 /nfs/dbraw/zinc/25/23/65/345252365.db2.gz RARZOPBKVIZLCT-BDAKNGLRSA-N 0 3 264.760 2.102 20 30 CEEDHN N#Cc1ccccc1OCCN1CCCC[C@H]1C1(O)CC1 ZINC000590968925 345207029 /nfs/dbraw/zinc/20/70/29/345207029.db2.gz QBVSXWXAPPBKMB-INIZCTEOSA-N 0 3 286.375 2.316 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N(C1CC1)C1CCCCC1 ZINC000591596184 345268403 /nfs/dbraw/zinc/26/84/03/345268403.db2.gz NEPGTGSLMMTUGL-AWEZNQCLSA-N 0 3 263.385 2.331 20 30 CEEDHN C[C@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)CO1 ZINC000592367095 345346449 /nfs/dbraw/zinc/34/64/49/345346449.db2.gz NWPSLECMHJAAJX-CABZTGNLSA-N 0 3 250.729 2.479 20 30 CEEDHN C=CCOc1ccc(CN2C[C@@H](C)[C@H](C(=O)OC)C2)cc1 ZINC000592516719 345363891 /nfs/dbraw/zinc/36/38/91/345363891.db2.gz YMNHSHOFKPKZFI-CZUORRHYSA-N 0 3 289.375 2.492 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@H](C1CCC1)C1CCCC1 ZINC000592567721 345369537 /nfs/dbraw/zinc/36/95/37/345369537.db2.gz XJWVWGGAQTWSMG-CABCVRRESA-N 0 3 277.412 2.483 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N(C)CCC(C)(C)C ZINC000592145200 345328416 /nfs/dbraw/zinc/32/84/16/345328416.db2.gz MWACPEQYIKVONF-GFCCVEGCSA-N 0 3 265.401 2.305 20 30 CEEDHN N#CC[C@@]1(O)CCN(CCCCOc2ccccc2)C1 ZINC000592151814 345330744 /nfs/dbraw/zinc/33/07/44/345330744.db2.gz ROBTWTQQJLTMEG-MRXNPFEDSA-N 0 3 274.364 2.196 20 30 CEEDHN C[C@@H](CCC#N)N1CCC(c2nnc3n2CCC3)CC1 ZINC000593005926 345422293 /nfs/dbraw/zinc/42/22/93/345422293.db2.gz ALYVQMJRODVVHT-LBPRGKRZSA-N 0 3 273.384 2.096 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCc2ccccc2[C@@H](C)C1 ZINC000593095236 345437245 /nfs/dbraw/zinc/43/72/45/345437245.db2.gz MAYTZCTXFZOPGA-GJZGRUSLSA-N 0 3 299.418 2.409 20 30 CEEDHN CC[C@H](C#N)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000593450905 345489553 /nfs/dbraw/zinc/48/95/53/345489553.db2.gz GOYNQSKQRZLNOL-MRXNPFEDSA-N 0 3 287.407 2.435 20 30 CEEDHN CC[C@@H](C#N)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000593481818 345495242 /nfs/dbraw/zinc/49/52/42/345495242.db2.gz SEWSZDQZEAJZLO-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN CN(CCN1CCCCC1)c1cccc(C#N)c1[N+](=O)[O-] ZINC000593514436 345501618 /nfs/dbraw/zinc/50/16/18/345501618.db2.gz AJBJJXMFFDZGKF-UHFFFAOYSA-N 0 3 288.351 2.389 20 30 CEEDHN CC(C)CN(CCN(C)C)C(=O)NCC1(C#N)CCCC1 ZINC000593425501 345483003 /nfs/dbraw/zinc/48/30/03/345483003.db2.gz JJAMOXKQRDXFSM-UHFFFAOYSA-N 0 3 294.443 2.300 20 30 CEEDHN C[C@H](NCC[C@@]1(O)CCCOC1)c1ccc(C#N)c(F)c1 ZINC000593722753 345527798 /nfs/dbraw/zinc/52/77/98/345527798.db2.gz YNUAPDOGLBIVSQ-LRDDRELGSA-N 0 3 292.354 2.280 20 30 CEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000593852069 345545534 /nfs/dbraw/zinc/54/55/34/345545534.db2.gz VBHHRFCEKIDYCM-VXGBXAGGSA-N 0 3 280.368 2.259 20 30 CEEDHN C[C@@H](CNC(=O)CCCCC#N)N1CCCC[C@H]1C ZINC000593964048 345556874 /nfs/dbraw/zinc/55/68/74/345556874.db2.gz XLFVCZADBIWCKV-KGLIPLIRSA-N 0 3 265.401 2.449 20 30 CEEDHN CC1(C)CC[C@@H]1NCC(=O)NC1(C#N)CCCCC1 ZINC000594006017 345565030 /nfs/dbraw/zinc/56/50/30/345565030.db2.gz OVTHZCDFIXYBAF-LBPRGKRZSA-N 0 3 263.385 2.107 20 30 CEEDHN CCOC(=O)CCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594031436 345569301 /nfs/dbraw/zinc/56/93/01/345569301.db2.gz GIQFBGXZSQTCNP-UHFFFAOYSA-N 0 3 272.348 2.480 20 30 CEEDHN CC(C)(C#N)CC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594194971 345596210 /nfs/dbraw/zinc/59/62/10/345596210.db2.gz BSZVGNKVQZQCBE-STQMWFEESA-N 0 3 263.385 2.059 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594215440 345599049 /nfs/dbraw/zinc/59/90/49/345599049.db2.gz LMJJTEXHTJJXEY-WMLDXEAASA-N 0 3 299.418 2.337 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)CCCCC#N ZINC000594229979 345600943 /nfs/dbraw/zinc/60/09/43/345600943.db2.gz IMEFMQYNGMNODS-CYBMUJFWSA-N 0 3 251.374 2.061 20 30 CEEDHN CCn1c2ccccc2nc1NC(=O)[C@@H](N)CCCCC#N ZINC000594426465 345626530 /nfs/dbraw/zinc/62/65/30/345626530.db2.gz RLOWWAPFJAVNRJ-LBPRGKRZSA-N 0 3 299.378 2.406 20 30 CEEDHN CCOc1cccc(CNC(=O)[C@H](N)CCCCC#N)c1 ZINC000594428644 345627211 /nfs/dbraw/zinc/62/72/11/345627211.db2.gz NNNTWXFWODIELW-OAHLLOKOSA-N 0 3 289.379 2.113 20 30 CEEDHN CCN(Cc1ccccc1)C(=O)[C@H](N)CCCCC#N ZINC000594427918 345627291 /nfs/dbraw/zinc/62/72/91/345627291.db2.gz XQGKQWFALMENKE-OAHLLOKOSA-N 0 3 273.380 2.446 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1nc(C2CC2)cs1 ZINC000594427553 345627412 /nfs/dbraw/zinc/62/74/12/345627412.db2.gz IQFPFVCRVITJQZ-JTQLQIEISA-N 0 3 278.381 2.370 20 30 CEEDHN CC(C)C[C@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC000594430098 345628005 /nfs/dbraw/zinc/62/80/05/345628005.db2.gz YSBAEEBXRHSXOR-ZIAGYGMSSA-N 0 3 265.401 2.435 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H](N)CCCCC#N ZINC000594430678 345628650 /nfs/dbraw/zinc/62/86/50/345628650.db2.gz ARKJFVAQCGRBBW-MCIONIFRSA-N 0 3 265.401 2.340 20 30 CEEDHN COc1ccc(N(C)C(=O)[C@@H](N)CCCCC#N)cc1F ZINC000594433885 345629443 /nfs/dbraw/zinc/62/94/43/345629443.db2.gz ULJIYVSKHKYDBZ-ZDUSSCGKSA-N 0 3 293.342 2.208 20 30 CEEDHN C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@H](N)CCCCC#N ZINC000594435482 345629657 /nfs/dbraw/zinc/62/96/57/345629657.db2.gz FUAMYHRKPBJURV-MGPQQGTHSA-N 0 3 265.401 2.435 20 30 CEEDHN CCC1(CC)CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594434888 345629671 /nfs/dbraw/zinc/62/96/71/345629671.db2.gz VURXYUYMYQREJU-CYBMUJFWSA-N 0 3 265.401 2.436 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000594436468 345630077 /nfs/dbraw/zinc/63/00/77/345630077.db2.gz ITWZZXIBANQYAV-SOUVJXGZSA-N 0 3 289.354 2.209 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCc2ccsc2C1 ZINC000594438348 345630644 /nfs/dbraw/zinc/63/06/44/345630644.db2.gz UBOPBWLTJJMMEI-LBPRGKRZSA-N 0 3 277.393 2.044 20 30 CEEDHN COc1cc(C)c(NC(=O)[C@@H](N)CCCCC#N)cc1F ZINC000594442050 345631505 /nfs/dbraw/zinc/63/15/05/345631505.db2.gz BFEPXNTUUWOZGM-LBPRGKRZSA-N 0 3 293.342 2.493 20 30 CEEDHN Cc1cc(N(C)C)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594440282 345631544 /nfs/dbraw/zinc/63/15/44/345631544.db2.gz BKXAKPNVOLIOJF-CQSZACIVSA-N 0 3 288.395 2.411 20 30 CEEDHN CC(C)C[C@@H]1C[C@H](NC(=O)[C@@H](N)CCCCC#N)CCO1 ZINC000594444867 345632623 /nfs/dbraw/zinc/63/26/23/345632623.db2.gz DOFLTEOUMORDEN-KFWWJZLASA-N 0 3 295.427 2.108 20 30 CEEDHN CCCC1(CNC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594445684 345632863 /nfs/dbraw/zinc/63/28/63/345632863.db2.gz KACCCHGSIITKTJ-GFCCVEGCSA-N 0 3 251.374 2.094 20 30 CEEDHN COCC[C@@H]1CCCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594457322 345635470 /nfs/dbraw/zinc/63/54/70/345635470.db2.gz YFEKBAYHGDNSOB-GJZGRUSLSA-N 0 3 295.427 2.063 20 30 CEEDHN N#Cc1ccncc1N[C@H]1CCCN2CCCC[C@H]12 ZINC000594603921 345658066 /nfs/dbraw/zinc/65/80/66/345658066.db2.gz WLPBXXYVNKOQCG-DZGCQCFKSA-N 0 3 256.353 2.382 20 30 CEEDHN CC(C)(C)[C@H](N)c1cn(-c2cccc(C#N)c2)nn1 ZINC000594652287 345667068 /nfs/dbraw/zinc/66/70/68/345667068.db2.gz QSCNEFLBDUYFDJ-CYBMUJFWSA-N 0 3 255.325 2.185 20 30 CEEDHN C=CCC[C@@H](CO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594506038 345639544 /nfs/dbraw/zinc/63/95/44/345639544.db2.gz KFAQNFCJICOACC-FZMZJTMJSA-N 0 3 276.336 2.499 20 30 CEEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1)[C@H]1CCOC1 ZINC000594712918 345677133 /nfs/dbraw/zinc/67/71/33/345677133.db2.gz WUZWAERUKQQOPD-VBNZEHGJSA-N 0 3 274.364 2.260 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1C[C@H](O)C13CCC3)CC2 ZINC000595093027 345741431 /nfs/dbraw/zinc/74/14/31/345741431.db2.gz XVKONWWPOCLDAV-PMPSAXMXSA-N 0 3 268.360 2.439 20 30 CEEDHN N#Cc1ccc2c(c1)CN(C(=O)C1(N)CC3(CCC3)C1)C2 ZINC000595251876 345748569 /nfs/dbraw/zinc/74/85/69/345748569.db2.gz YXIHYBXQSXPYDL-UHFFFAOYSA-N 0 3 281.359 2.062 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC1CCC2(CC2(F)F)CC1 ZINC000595257978 345750256 /nfs/dbraw/zinc/75/02/56/345750256.db2.gz GDRFUIRZCOVYSU-LXVYMNJGSA-N 0 3 299.365 2.482 20 30 CEEDHN N#Cc1cccnc1N1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000595290213 345754937 /nfs/dbraw/zinc/75/49/37/345754937.db2.gz WTPWJNCAYWOLAS-RBVVOMGSSA-N 0 3 282.391 2.121 20 30 CEEDHN CCc1cccc2cc(CNCCn3cnc(C#N)n3)oc21 ZINC000594941456 345711001 /nfs/dbraw/zinc/71/10/01/345711001.db2.gz TZUBQEHQENUDSG-UHFFFAOYSA-N 0 3 295.346 2.248 20 30 CEEDHN COC[C@H](CN(Cc1ccc(C#N)cc1)C(C)C)OC ZINC000595297859 345757100 /nfs/dbraw/zinc/75/71/00/345757100.db2.gz ZWWQHPIWLOYIGK-INIZCTEOSA-N 0 3 276.380 2.430 20 30 CEEDHN CO[C@@]1(CNCc2ccc(C3(C#N)CC3)cc2)CCOC1 ZINC000594944481 345712863 /nfs/dbraw/zinc/71/28/63/345712863.db2.gz IXCPMYYWRIYMNS-QGZVFWFLSA-N 0 3 286.375 2.137 20 30 CEEDHN Cn1nc(C(F)(F)F)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000594948990 345714161 /nfs/dbraw/zinc/71/41/61/345714161.db2.gz DJWNMYKCTWDEFL-DTWKUNHWSA-N 0 3 272.274 2.221 20 30 CEEDHN CCc1ncc(CNCCc2ccc(C#N)cc2)cn1 ZINC000594955646 345715736 /nfs/dbraw/zinc/71/57/36/345715736.db2.gz QXAURUSLIURTIM-UHFFFAOYSA-N 0 3 266.348 2.243 20 30 CEEDHN C=CCCSCCNCc1ccc(C(=O)N(C)C)[nH]1 ZINC000594960568 345717108 /nfs/dbraw/zinc/71/71/08/345717108.db2.gz UANBHTCPFUTDTG-UHFFFAOYSA-N 0 3 281.425 2.115 20 30 CEEDHN N#Cc1ccc(CN[C@H]2C[C@@H](O)C23CCC3)c(F)c1 ZINC000594987263 345721958 /nfs/dbraw/zinc/72/19/58/345721958.db2.gz JUWHJZOMNZVRBG-UONOGXRCSA-N 0 3 260.312 2.090 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2C[C@H](O)C23CCC3)c(F)c1 ZINC000594987261 345721960 /nfs/dbraw/zinc/72/19/60/345721960.db2.gz JUWHJZOMNZVRBG-KGLIPLIRSA-N 0 3 260.312 2.090 20 30 CEEDHN Cc1cc([C@@H](C)NCCc2ccc(C#N)cc2)nn1C ZINC000595055913 345736144 /nfs/dbraw/zinc/73/61/44/345736144.db2.gz MPJWCBAMNCAOID-CYBMUJFWSA-N 0 3 268.364 2.494 20 30 CEEDHN C=CC[C@H]1CCCN(CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000595661375 345841573 /nfs/dbraw/zinc/84/15/73/345841573.db2.gz ZUASNSDSQWGLIS-CABCVRRESA-N 0 3 277.412 2.283 20 30 CEEDHN N#CC[C@@H]1CCCN(CCC(=O)N2CCCCC2)C1 ZINC000595612633 345827131 /nfs/dbraw/zinc/82/71/31/345827131.db2.gz YWIFTJCLQSSCQY-AWEZNQCLSA-N 0 3 263.385 2.015 20 30 CEEDHN C[C@]1(C2CC2)CN(CCCSCC#N)CCO1 ZINC000595617210 345828595 /nfs/dbraw/zinc/82/85/95/345828595.db2.gz GNEBULMSXZVJOF-CYBMUJFWSA-N 0 3 254.399 2.134 20 30 CEEDHN N#CC[C@@H]1CCCN(CCO[C@@H]2CCCCO2)C1 ZINC000595620788 345829799 /nfs/dbraw/zinc/82/97/99/345829799.db2.gz QTNFLXQTNHWLPK-UONOGXRCSA-N 0 3 252.358 2.155 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595739781 345863263 /nfs/dbraw/zinc/86/32/63/345863263.db2.gz JWFJJAZDLKWBCU-KCXAZCMYSA-N 0 3 283.375 2.220 20 30 CEEDHN CC[C@@H]([NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N)C1CC1 ZINC000595764808 345870326 /nfs/dbraw/zinc/87/03/26/345870326.db2.gz DCVOQEFQSUCNPH-CYBMUJFWSA-N 0 3 275.352 2.485 20 30 CEEDHN N#CCc1ccc(CN[C@H]2C[C@@H](O)C23CCC3)cc1 ZINC000595779382 345874675 /nfs/dbraw/zinc/87/46/75/345874675.db2.gz DKOCOWJWYJDLNR-LSDHHAIUSA-N 0 3 256.349 2.146 20 30 CEEDHN COC(=O)[C@@H]1CCN(CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000595818746 345885000 /nfs/dbraw/zinc/88/50/00/345885000.db2.gz IFBPFPZEIAZPBG-XJKSGUPXSA-N 0 3 286.375 2.232 20 30 CEEDHN COC(=O)[C@H]1C[C@@H](N(C)Cc2ccc(C#N)c(F)c2)C1 ZINC000595857404 345899664 /nfs/dbraw/zinc/89/96/64/345899664.db2.gz WQOLGWRHZYWLQM-BETUJISGSA-N 0 3 276.311 2.081 20 30 CEEDHN CC[C@@H]1CCC[C@H](C)N1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000595868063 345901136 /nfs/dbraw/zinc/90/11/36/345901136.db2.gz RKLLUSQQXNRLBH-BJJXKVORSA-N 0 3 277.412 2.448 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@H]1CC1(C)C ZINC000595912328 345912323 /nfs/dbraw/zinc/91/23/23/345912323.db2.gz JRZHIPAIIOGOCK-IOASZLSFSA-N 0 3 279.428 2.407 20 30 CEEDHN CCN(Cc1ccc(C)cc1)C(=O)[C@H](N)CCCC#N ZINC000595966520 345918523 /nfs/dbraw/zinc/91/85/23/345918523.db2.gz ISTFVWUWCPVFBU-OAHLLOKOSA-N 0 3 273.380 2.365 20 30 CEEDHN CCN1CCN(c2cc(C)c([N+](=O)[O-])c(C#N)c2)C[C@@H]1C ZINC000596173720 345959878 /nfs/dbraw/zinc/95/98/78/345959878.db2.gz ZFHKUJLTCQXHGP-LBPRGKRZSA-N 0 3 288.351 2.305 20 30 CEEDHN Cc1cc(N2C[C@H](C)N(C)C[C@H]2C)cc(C#N)c1[N+](=O)[O-] ZINC000596180415 345961984 /nfs/dbraw/zinc/96/19/84/345961984.db2.gz ZNCUFHHDPDCEPK-NWDGAFQWSA-N 0 3 288.351 2.304 20 30 CEEDHN N#Cc1cccc(Cl)c1NCCCN1CCC(O)CC1 ZINC000596084554 345935890 /nfs/dbraw/zinc/93/58/90/345935890.db2.gz BLDZPJZSKVFQSI-UHFFFAOYSA-N 0 3 293.798 2.470 20 30 CEEDHN CC(C)N1CCCC[C@@H]1CNc1n[nH]c(C2CC2)c1C#N ZINC000596272466 345987389 /nfs/dbraw/zinc/98/73/89/345987389.db2.gz QZAGPBBOQBRTMP-CYBMUJFWSA-N 0 3 287.411 2.255 20 30 CEEDHN CC(C)(C)N1CC[C@H](Nc2ncc(C#N)cc2[N+](=O)[O-])C1 ZINC000596337113 346002989 /nfs/dbraw/zinc/00/29/89/346002989.db2.gz UJOOBZGEHARDNY-NSHDSACASA-N 0 3 289.339 2.146 20 30 CEEDHN CCCN1CC[C@@H](Nc2nc3ncccc3cc2C#N)C1 ZINC000596516004 346043944 /nfs/dbraw/zinc/04/39/44/346043944.db2.gz BNGNXIBVZNMZBZ-CQSZACIVSA-N 0 3 281.363 2.398 20 30 CEEDHN C=CCCSCCNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000596717628 346079689 /nfs/dbraw/zinc/07/96/89/346079689.db2.gz NJLPWXWNAKMWJN-ZIAGYGMSSA-N 0 3 297.468 2.031 20 30 CEEDHN N#Cc1ccc(OCCN[C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597061596 346123078 /nfs/dbraw/zinc/12/30/78/346123078.db2.gz QJAXYIRKZHXYAE-GOEBONIOSA-N 0 3 272.348 2.094 20 30 CEEDHN N#CC1(c2ccc(CN3CC[C@@]4(O)C[C@H]4C3)cc2)CC1 ZINC000597209506 346149653 /nfs/dbraw/zinc/14/96/53/346149653.db2.gz CUYWDYYJJOXTMS-DOTOQJQBSA-N 0 3 268.360 2.198 20 30 CEEDHN C[C@@H](O)C1(NCc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597231800 346155734 /nfs/dbraw/zinc/15/57/34/346155734.db2.gz RHPJWBGCOQWRNH-GFCCVEGCSA-N 0 3 256.349 2.245 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)C(C)(C)CO ZINC000597575945 346202921 /nfs/dbraw/zinc/20/29/21/346202921.db2.gz AOVHDNANHIWRGH-WCQYABFASA-N 0 3 260.337 2.022 20 30 CEEDHN C[C@H](CC#N)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000597389482 346180155 /nfs/dbraw/zinc/18/01/55/346180155.db2.gz JRRIBIJDJLILFW-ZBFHGGJFSA-N 0 3 285.391 2.269 20 30 CEEDHN Cc1cc(NC(=O)[C@@H](C)CC#N)ccc1OCCN(C)C ZINC000597764785 346228348 /nfs/dbraw/zinc/22/83/48/346228348.db2.gz ODZPDVQQUVNPEG-LBPRGKRZSA-N 0 3 289.379 2.424 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1cccs1)C(C)(C)CO ZINC000597847259 346238127 /nfs/dbraw/zinc/23/81/27/346238127.db2.gz SJWSQDOJCLQKNP-MWLCHTKSSA-N 0 3 266.366 2.084 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cccc(CC#N)c1 ZINC000597859609 346239669 /nfs/dbraw/zinc/23/96/69/346239669.db2.gz WEXYFBDTSMUSOO-OAHLLOKOSA-N 0 3 285.391 2.355 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)C1(C#N)CCCCC1 ZINC000597858570 346239795 /nfs/dbraw/zinc/23/97/95/346239795.db2.gz NFGWVDSNTDQGKK-ZDUSSCGKSA-N 0 3 277.412 2.449 20 30 CEEDHN CCC(C#N)C(=O)N(CC)[C@H](C)C(=O)OC(C)(C)C ZINC000597873987 346243780 /nfs/dbraw/zinc/24/37/80/346243780.db2.gz KWFKWYQVGGUZNR-MNOVXSKESA-N 0 3 268.357 2.115 20 30 CEEDHN C[C@H](C(=O)NCCc1ccc(C#N)cc1)N1CCCCCC1 ZINC000597890634 346246201 /nfs/dbraw/zinc/24/62/01/346246201.db2.gz GGDMHKDCYBXEFN-OAHLLOKOSA-N 0 3 299.418 2.481 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)NCCc1ccc(C#N)cc1 ZINC000597894487 346247593 /nfs/dbraw/zinc/24/75/93/346247593.db2.gz XOJNTVIDOOFBLJ-KBPBESRZSA-N 0 3 285.391 2.090 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H](CC#N)C1 ZINC000597911675 346251707 /nfs/dbraw/zinc/25/17/07/346251707.db2.gz OKEXRXWIJZYCKI-UONOGXRCSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@H](C(=O)N1CCC[C@@H](CC#N)C1)N1CCCCCC1 ZINC000597914429 346252309 /nfs/dbraw/zinc/25/23/09/346252309.db2.gz VZNDVIQJJBEOFR-CABCVRRESA-N 0 3 277.412 2.403 20 30 CEEDHN CC[C@@H](C(=O)NC(C)(C)c1cccc(C#N)c1)N(C)C ZINC000597951417 346257363 /nfs/dbraw/zinc/25/73/63/346257363.db2.gz YDMDZRODYCEYPV-AWEZNQCLSA-N 0 3 273.380 2.250 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000598116583 346292054 /nfs/dbraw/zinc/29/20/54/346292054.db2.gz PSQWZIUNNVAERP-DTWKUNHWSA-N 0 3 298.268 2.319 20 30 CEEDHN C[C@]12COC[C@@H]1CN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000598225119 346310681 /nfs/dbraw/zinc/31/06/81/346310681.db2.gz LOTKAKNJNNAVCQ-RYRKJORJSA-N 0 3 298.386 2.254 20 30 CEEDHN C[C@H](N[C@H]1CNCCC1(F)F)c1ccc(C#N)c(F)c1 ZINC000335566433 212275190 /nfs/dbraw/zinc/27/51/90/212275190.db2.gz ANJNFCJBUWSVGJ-ZANVPECISA-N 0 3 283.297 2.345 20 30 CEEDHN C[C@@]1(C#N)CCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000598415402 346351544 /nfs/dbraw/zinc/35/15/44/346351544.db2.gz PRPXOLCURWUTDY-SFHVURJKSA-N 0 3 297.402 2.197 20 30 CEEDHN CC(C#N)C(=O)NCc1cc(F)ccc1OC(F)F ZINC000598438255 346357065 /nfs/dbraw/zinc/35/70/65/346357065.db2.gz UBIGMGGVMQHSFT-SSDOTTSWSA-N 0 3 272.226 2.203 20 30 CEEDHN C[C@H]1CN(CCCOc2ccc(C#N)cc2)CCCO1 ZINC000061918395 362699634 /nfs/dbraw/zinc/69/96/34/362699634.db2.gz HWDPGZOSMMFARU-AWEZNQCLSA-N 0 3 274.364 2.438 20 30 CEEDHN CCN(Cc1ccccn1)C[C@@H](O)CC(C)(C)C#N ZINC000598593406 346380024 /nfs/dbraw/zinc/38/00/24/346380024.db2.gz SPYBHUQKRKKXGD-AWEZNQCLSA-N 0 3 261.369 2.204 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000598596629 346381084 /nfs/dbraw/zinc/38/10/84/346381084.db2.gz QRERPKMYXMENNU-KBPBESRZSA-N 0 3 276.384 2.237 20 30 CEEDHN COc1cccc2c1CCN(C[C@H](O)CC(C)(C)C#N)C2 ZINC000598604508 346382921 /nfs/dbraw/zinc/38/29/21/346382921.db2.gz TWXYMSNVHMDHDW-CQSZACIVSA-N 0 3 288.391 2.354 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000598615777 346384509 /nfs/dbraw/zinc/38/45/09/346384509.db2.gz DZQRNTYBNIXHKU-KKUMJFAQSA-N 0 3 292.423 2.321 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000598616014 346384622 /nfs/dbraw/zinc/38/46/22/346384622.db2.gz JEKYJIZOCVKTIU-BFHYXJOUSA-N 0 3 280.412 2.177 20 30 CEEDHN CCn1cc(CN(C[C@H](O)CC(C)(C)C#N)C(C)C)cn1 ZINC000598623835 346387230 /nfs/dbraw/zinc/38/72/30/346387230.db2.gz STXRMPHLQWKFHQ-OAHLLOKOSA-N 0 3 292.427 2.414 20 30 CEEDHN Cc1nc(C)c(CNC[C@H](O)CC(C)(C)C#N)s1 ZINC000598722022 346408114 /nfs/dbraw/zinc/40/81/14/346408114.db2.gz YJZCQXJNECFMEY-LLVKDONJSA-N 0 3 267.398 2.150 20 30 CEEDHN COc1cccc(CNC[C@@H](O)CC(C)(C)C#N)c1C ZINC000598730310 346411039 /nfs/dbraw/zinc/41/10/39/346411039.db2.gz SSKRTMMSYMJVDH-AWEZNQCLSA-N 0 3 276.380 2.394 20 30 CEEDHN C=C[C@@H](C)NCc1c(C)[nH]c(C(=O)OCC)c1C ZINC000598969762 346439262 /nfs/dbraw/zinc/43/92/62/346439262.db2.gz WOQQTEHKNDIDQR-SECBINFHSA-N 0 3 250.342 2.472 20 30 CEEDHN C=CCC[C@@H](CO)NCc1c(C)[nH]c(C(=O)OCC)c1C ZINC000598978600 346441319 /nfs/dbraw/zinc/44/13/19/346441319.db2.gz OLUKFNIBJOSENJ-ZDUSSCGKSA-N 0 3 294.395 2.225 20 30 CEEDHN N#C[C@H]1CC[C@H](NC[C@@H]2Cc3ccccc3CO2)C1 ZINC000599060512 346454023 /nfs/dbraw/zinc/45/40/23/346454023.db2.gz XRKXZCZOHUCVGH-RCBQFDQVSA-N 0 3 256.349 2.410 20 30 CEEDHN CC1(C)C[C@@H](NCc2cccc(C#N)n2)C(C)(C)O1 ZINC000602599114 347094725 /nfs/dbraw/zinc/09/47/25/347094725.db2.gz DEWINICVUHNYFD-CYBMUJFWSA-N 0 3 259.353 2.389 20 30 CEEDHN COc1cccc([C@@H](C)NC[C@@H](O)CC2(C#N)CC2)c1 ZINC000599346733 346503432 /nfs/dbraw/zinc/50/34/32/346503432.db2.gz DGRSAQGSHGCRNL-OCCSQVGLSA-N 0 3 274.364 2.401 20 30 CEEDHN Cn1cc([C@@H](NC[C@H](O)CC2(C#N)CC2)C(C)(C)C)cn1 ZINC000599355351 346505491 /nfs/dbraw/zinc/50/54/91/346505491.db2.gz ZCPXXBMBYPJIPT-ZIAGYGMSSA-N 0 3 290.411 2.152 20 30 CEEDHN CC[C@H](NC[C@@H](O)CC1(C#N)CC1)c1c(C)nn(C)c1C ZINC000599358529 346506143 /nfs/dbraw/zinc/50/61/43/346506143.db2.gz DJPLBAOSFJFAKK-KBPBESRZSA-N 0 3 290.411 2.132 20 30 CEEDHN CC[C@H](NC[C@H](O)CC1(C#N)CC1)c1c(C)nn(C)c1C ZINC000599358530 346506269 /nfs/dbraw/zinc/50/62/69/346506269.db2.gz DJPLBAOSFJFAKK-KGLIPLIRSA-N 0 3 290.411 2.132 20 30 CEEDHN COCC[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccco1 ZINC000599358887 346506319 /nfs/dbraw/zinc/50/63/19/346506319.db2.gz IENKHTGFPZFNJU-QWHCGFSZSA-N 0 3 278.352 2.002 20 30 CEEDHN CCOC(=O)CCN(C)Cc1ccc(C)c(C#N)c1 ZINC000599278732 346489597 /nfs/dbraw/zinc/48/95/97/346489597.db2.gz FVMGPPBQEWMCCS-UHFFFAOYSA-N 0 3 260.337 2.252 20 30 CEEDHN Cc1ccc(CN2CCC([C@H](C)O)CC2)cc1C#N ZINC000599290826 346491442 /nfs/dbraw/zinc/49/14/42/346491442.db2.gz CRWGTCBDLMOSNT-ZDUSSCGKSA-N 0 3 258.365 2.460 20 30 CEEDHN COC(=O)[C@@H]1CN(Cc2ccc(C)c(C#N)c2)C[C@H]1C1CC1 ZINC000599452838 346523231 /nfs/dbraw/zinc/52/32/31/346523231.db2.gz CFTTZEQVJBFVNM-DLBZAZTESA-N 0 3 298.386 2.498 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000600220208 346626257 /nfs/dbraw/zinc/62/62/57/346626257.db2.gz OIJYDVNADOIDLA-SOUVJXGZSA-N 0 3 254.333 2.237 20 30 CEEDHN CC[C@@H](C#N)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000600228532 346627833 /nfs/dbraw/zinc/62/78/33/346627833.db2.gz DNTRMTFSHZKSOK-JSGCOSHPSA-N 0 3 263.385 2.059 20 30 CEEDHN CC1CCN(CCNC(=O)c2ccccc2CC#N)CC1 ZINC000600998510 346728582 /nfs/dbraw/zinc/72/85/82/346728582.db2.gz WPXZIQFFCKRKJT-UHFFFAOYSA-N 0 3 285.391 2.214 20 30 CEEDHN C[C@H](CNC(=O)C1(C#N)CC2(CC2)C1)N1CCCC[C@H]1C ZINC000600996555 346729059 /nfs/dbraw/zinc/72/90/59/346729059.db2.gz CDLZVQLFBUDMJD-ZIAGYGMSSA-N 0 3 289.423 2.449 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000600997672 346729154 /nfs/dbraw/zinc/72/91/54/346729154.db2.gz JOXJXEXHQCOVLF-ZDUSSCGKSA-N 0 3 275.396 2.061 20 30 CEEDHN N#CC1(C[C@H](O)CNCc2cnn(-c3ccccc3)c2)CC1 ZINC000600720376 346677946 /nfs/dbraw/zinc/67/79/46/346677946.db2.gz YTHAAYFFDZQKKQ-INIZCTEOSA-N 0 3 296.374 2.017 20 30 CEEDHN N#CC1(C[C@@H](O)CNCc2ccc3c(n2)CCCC3)CC1 ZINC000600734434 346680755 /nfs/dbraw/zinc/68/07/55/346680755.db2.gz PJKSWWWECXYMCM-OAHLLOKOSA-N 0 3 285.391 2.105 20 30 CEEDHN N#CC1(C[C@H](O)CNCC2(C#N)CCCCC2)CC1 ZINC000600759261 346685138 /nfs/dbraw/zinc/68/51/38/346685138.db2.gz ZSJCDTCNSYSXOY-ZDUSSCGKSA-N 0 3 261.369 2.105 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)c1cc(C#N)nc(C2CC2)n1 ZINC000601115711 346757095 /nfs/dbraw/zinc/75/70/95/346757095.db2.gz BCBPTVQPSGGFRC-GFCCVEGCSA-N 0 3 285.395 2.004 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601150147 346769721 /nfs/dbraw/zinc/76/97/21/346769721.db2.gz WSZQVPJXDDFTMW-ZDUSSCGKSA-N 0 3 275.396 2.061 20 30 CEEDHN CC[C@H]1CN(C)CCCN1c1nc2ncccc2cc1C#N ZINC000601187970 346781351 /nfs/dbraw/zinc/78/13/51/346781351.db2.gz AINNPZDIDCQIFF-HNNXBMFYSA-N 0 3 295.390 2.422 20 30 CEEDHN CCN1CCC[C@H]1CNc1ncc(C#N)c2ccsc21 ZINC000601100679 346752844 /nfs/dbraw/zinc/75/28/44/346752844.db2.gz ZEJPWHSIVIEBDR-LBPRGKRZSA-N 0 3 286.404 2.486 20 30 CEEDHN CC(C)n1ncc2c1C[C@@H](NCc1cccc(C#N)n1)CC2 ZINC000602631093 347112354 /nfs/dbraw/zinc/11/23/54/347112354.db2.gz DLXYDMOQFSGRIV-AWEZNQCLSA-N 0 3 295.390 2.378 20 30 CEEDHN C[C@H]1C[C@H](N(C)C(=O)C2(C#N)CC3(CC3)C2)CCN1C ZINC000601224599 346794985 /nfs/dbraw/zinc/79/49/85/346794985.db2.gz IDJCYWFQASVOJS-QWHCGFSZSA-N 0 3 275.396 2.011 20 30 CEEDHN COCC[C@@H](COC)N[C@@H](C)c1cccc(C#N)c1 ZINC000336818039 365863303 /nfs/dbraw/zinc/86/33/03/365863303.db2.gz SXZNQMCLMRKUGP-WFASDCNBSA-N 0 3 262.353 2.260 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc(C#N)n1 ZINC000602646600 347122239 /nfs/dbraw/zinc/12/22/39/347122239.db2.gz PSGZEYWVXCJGII-WFASDCNBSA-N 0 3 257.337 2.024 20 30 CEEDHN Cc1ccncc1N1CCN(C[C@@H](C)CCC#N)CC1 ZINC000602647799 347122914 /nfs/dbraw/zinc/12/29/14/347122914.db2.gz NPZMGTNBLFAFJX-AWEZNQCLSA-N 0 3 272.396 2.452 20 30 CEEDHN N#Cc1cccc(CNC2CCN(c3nccs3)CC2)n1 ZINC000602647824 347123163 /nfs/dbraw/zinc/12/31/63/347123163.db2.gz OFRFGAUKRLFNKQ-UHFFFAOYSA-N 0 3 299.403 2.168 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCO[C@@H](c3ccncc3)C2)n1 ZINC000602682583 347142537 /nfs/dbraw/zinc/14/25/37/347142537.db2.gz MMOLTVXTVBBJHK-RHSMWYFYSA-N 0 3 294.358 2.358 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCO[C@@H](c3ccccn3)C2)n1 ZINC000602683743 347143534 /nfs/dbraw/zinc/14/35/34/347143534.db2.gz LEOSEPDPAAMHCH-CXAGYDPISA-N 0 3 294.358 2.358 20 30 CEEDHN C=CCCCCCNCc1cc(C(=O)OC)no1 ZINC000602703813 347158280 /nfs/dbraw/zinc/15/82/80/347158280.db2.gz CCXIMLPXWOUXDR-UHFFFAOYSA-N 0 3 252.314 2.297 20 30 CEEDHN COc1ncc(CNCCc2ccc(C#N)cc2)s1 ZINC000602704090 347159406 /nfs/dbraw/zinc/15/94/06/347159406.db2.gz CLVYBFVERKUCDZ-UHFFFAOYSA-N 0 3 273.361 2.356 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCCN3CCCC[C@@H]23)n1 ZINC000602706104 347160090 /nfs/dbraw/zinc/16/00/90/347160090.db2.gz ARJIJGHYZGTVRK-CVEARBPZSA-N 0 3 270.380 2.060 20 30 CEEDHN CC[C@H](COCC1CC1)NCc1cccc(C#N)n1 ZINC000602709275 347163089 /nfs/dbraw/zinc/16/30/89/347163089.db2.gz RLEBDGOUCPLADQ-CYBMUJFWSA-N 0 3 259.353 2.248 20 30 CEEDHN CC1(C)CCC(O)(CNCc2cccc(C#N)n2)CC1 ZINC000602712210 347165649 /nfs/dbraw/zinc/16/56/49/347165649.db2.gz BTKVQKDMISNNKF-UHFFFAOYSA-N 0 3 273.380 2.374 20 30 CEEDHN C[C@@H](CCC#N)CN[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000602716728 347167597 /nfs/dbraw/zinc/16/75/97/347167597.db2.gz XZXCVCDXJHGVMS-WFASDCNBSA-N 0 3 292.404 2.186 20 30 CEEDHN CCCCNC(=O)[C@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602767894 347189636 /nfs/dbraw/zinc/18/96/36/347189636.db2.gz ZLBIOYIPTCPUJJ-AWEZNQCLSA-N 0 3 277.412 2.309 20 30 CEEDHN N#CCC1(CN[C@@]2(CO)CCc3ccccc32)CC1 ZINC000602797781 347202542 /nfs/dbraw/zinc/20/25/42/347202542.db2.gz OKRVCKNAXFCZFS-MRXNPFEDSA-N 0 3 256.349 2.104 20 30 CEEDHN N#CCC1(CN2CCC(OC[C@@H]3CCOC3)CC2)CC1 ZINC000602798685 347203807 /nfs/dbraw/zinc/20/38/07/347203807.db2.gz NUHZRVRXXGWBRI-CQSZACIVSA-N 0 3 278.396 2.198 20 30 CEEDHN C[C@@H]1CN(C[C@H]2CCC(F)(F)C2)C[C@@H](C)N1CC#N ZINC000602848967 347223265 /nfs/dbraw/zinc/22/32/65/347223265.db2.gz IXTUQFIXBKFXNK-UPJWGTAASA-N 0 3 271.355 2.340 20 30 CEEDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CCCC#N)C1 ZINC000064995282 362799728 /nfs/dbraw/zinc/79/97/28/362799728.db2.gz QYXQNSCPTLPYGG-ZIAGYGMSSA-N 0 3 265.401 2.307 20 30 CEEDHN CC#CCCN1CC[C@](COC)(C(=O)OC(C)(C)C)C1 ZINC000602960608 347257543 /nfs/dbraw/zinc/25/75/43/347257543.db2.gz GRMPZJFAQPZSHH-INIZCTEOSA-N 0 3 281.396 2.080 20 30 CEEDHN CCC[C@@H](N)c1cn(Cc2cc(C#N)ccc2F)nn1 ZINC000603195571 347304586 /nfs/dbraw/zinc/30/45/86/347304586.db2.gz WPUURVOZFCUERF-CYBMUJFWSA-N 0 3 273.315 2.137 20 30 CEEDHN CCC[C@@H](N)c1cn(CCOc2ccccc2C#N)nn1 ZINC000603210895 347309947 /nfs/dbraw/zinc/30/99/47/347309947.db2.gz HDTLPTFURHARQC-CYBMUJFWSA-N 0 3 285.351 2.029 20 30 CEEDHN N#Cc1cc(Cn2cc(CNC3CCCCC3)nn2)ccn1 ZINC000603222724 347314184 /nfs/dbraw/zinc/31/41/84/347314184.db2.gz MCGWFMDXXXWBPP-UHFFFAOYSA-N 0 3 296.378 2.015 20 30 CEEDHN CC(C)[C@H](N)c1cn([C@@H](C#N)c2ccccc2)nn1 ZINC000603222943 347314250 /nfs/dbraw/zinc/31/42/50/347314250.db2.gz WWIBZOQVAHLJMF-KBPBESRZSA-N 0 3 255.325 2.047 20 30 CEEDHN CCC[C@@H](N)c1cn(Cc2cc(C#N)ccc2OC)nn1 ZINC000603232839 347317852 /nfs/dbraw/zinc/31/78/52/347317852.db2.gz HDYOIPUUFWNYQN-CYBMUJFWSA-N 0 3 285.351 2.007 20 30 CEEDHN Cc1nc(NC[C@@H]2CSCCN2)c(Cl)cc1C#N ZINC000603419674 347365684 /nfs/dbraw/zinc/36/56/84/347365684.db2.gz PHXPXMBLGCUJCI-SNVBAGLBSA-N 0 3 282.800 2.032 20 30 CEEDHN CCN(CCC#N)C(=O)CN(C)[C@H](C)C(C)(C)C ZINC000603873311 347394253 /nfs/dbraw/zinc/39/42/53/347394253.db2.gz KVXSVAQQMDAYCQ-GFCCVEGCSA-N 0 3 253.390 2.115 20 30 CEEDHN N#CC1(NC(=O)c2ccc(CN3CCCC3)cc2)CC1 ZINC000609990718 347656926 /nfs/dbraw/zinc/65/69/26/347656926.db2.gz JVIBXPSSZHFOHV-UHFFFAOYSA-N 0 3 269.348 2.068 20 30 CEEDHN C[C@H](C#N)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000610348009 347674646 /nfs/dbraw/zinc/67/46/46/347674646.db2.gz KUMCQTRAUNIDAX-GDBMZVCRSA-N 0 3 285.391 2.489 20 30 CEEDHN CC(C#N)C(=O)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610605828 347696094 /nfs/dbraw/zinc/69/60/94/347696094.db2.gz WUPJKQHZCQXCPK-LYFYHCNISA-N 0 3 288.191 2.345 20 30 CEEDHN C=C(C)[C@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611383567 347771460 /nfs/dbraw/zinc/77/14/60/347771460.db2.gz YFZSMBASBBGSPB-GWCFXTLKSA-N 0 3 250.298 2.182 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCn1cccn1 ZINC000611393316 347772809 /nfs/dbraw/zinc/77/28/09/347772809.db2.gz DCVKKUPRWUBVGR-MRXNPFEDSA-N 0 3 266.348 2.422 20 30 CEEDHN Cn1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1=O ZINC000611396030 347773268 /nfs/dbraw/zinc/77/32/68/347773268.db2.gz DVGISSVOTMJSCO-UHFFFAOYSA-N 0 3 279.343 2.036 20 30 CEEDHN C[C@H](N[C@@H](C)[C@@H]1CN(C)CCO1)c1ccc(C#N)c(F)c1 ZINC000611465940 347782201 /nfs/dbraw/zinc/78/22/01/347782201.db2.gz UABBHQRUCTXQRL-MKBNYLNASA-N 0 3 291.370 2.067 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCN(CC3CC3)C2)c(F)c1 ZINC000610946889 347723786 /nfs/dbraw/zinc/72/37/86/347723786.db2.gz UFQCGUHJXHTYEN-HNNXBMFYSA-N 0 3 273.355 2.271 20 30 CEEDHN N#Cc1cc(CN2CC[C@H](C3CCOCC3)C2)ccn1 ZINC000611110067 347739719 /nfs/dbraw/zinc/73/97/19/347739719.db2.gz XKWROVGVPCBWFK-HNNXBMFYSA-N 0 3 271.364 2.202 20 30 CEEDHN N#Cc1cccc(OCCN2CCC3(CCOC3)CC2)c1 ZINC000611177700 347747916 /nfs/dbraw/zinc/74/79/16/347747916.db2.gz JSTATZQPGFZWMM-UHFFFAOYSA-N 0 3 286.375 2.440 20 30 CEEDHN C[C@H](CO)CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000611235407 347754874 /nfs/dbraw/zinc/75/48/74/347754874.db2.gz NCXIJKYZPFCOQU-ZDUSSCGKSA-N 0 3 274.364 2.030 20 30 CEEDHN N#Cc1ccccc1NC(=O)CCN1CC=CCC1 ZINC000611517391 347789545 /nfs/dbraw/zinc/78/95/45/347789545.db2.gz XKFJTTYGBSCLCT-UHFFFAOYSA-N 0 3 255.321 2.149 20 30 CEEDHN C=CCOCCNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000611543883 347793330 /nfs/dbraw/zinc/79/33/30/347793330.db2.gz FEMGACXWVWHCHA-ALCCZGGFSA-N 0 3 262.309 2.400 20 30 CEEDHN Cc1nc(C)n(C[C@@H]2CCCN2CCC(C)(C)C#N)n1 ZINC000363472626 260323592 /nfs/dbraw/zinc/32/35/92/260323592.db2.gz SCOLDNFDWPOLAG-AWEZNQCLSA-N 0 3 275.400 2.299 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CCCN(C)C[C@@H]1CC)OCC ZINC000614333014 348181148 /nfs/dbraw/zinc/18/11/48/348181148.db2.gz YIQJHQPEAFBSSM-GJZGRUSLSA-N 0 3 282.428 2.300 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H]([C@H](C)O)C1 ZINC000614403857 348194321 /nfs/dbraw/zinc/19/43/21/348194321.db2.gz SGMNFBQUYUZDMI-XJKSGUPXSA-N 0 3 258.365 2.460 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCN(C)[C@@H](C)[C@H]1C ZINC000614403274 348194724 /nfs/dbraw/zinc/19/47/24/348194724.db2.gz MZHUYJSYFGZFCU-UONOGXRCSA-N 0 3 257.381 2.391 20 30 CEEDHN C=CCC1(C(=O)NC[C@@H]2CCN2C(C)(C)C)CCOCC1 ZINC000617005927 348608527 /nfs/dbraw/zinc/60/85/27/348608527.db2.gz RGRRYWOFWJJGBS-AWEZNQCLSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CCOCC1 ZINC000617341617 348681902 /nfs/dbraw/zinc/68/19/02/348681902.db2.gz VEKXKIDUWZZQFP-AWEZNQCLSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCC1(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CCOCC1 ZINC000618248051 348906144 /nfs/dbraw/zinc/90/61/44/348906144.db2.gz SJFSYHMJIUUOGD-KBPBESRZSA-N 0 3 280.412 2.101 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](N2CCOCC2)[C@@H]1C ZINC000352005665 219286030 /nfs/dbraw/zinc/28/60/30/219286030.db2.gz GBNJGMPQRJGUFV-VKJFTORMSA-N 0 3 299.418 2.414 20 30 CEEDHN COCC[C@@]1(NCc2ccc(C#N)cc2Cl)CCOC1 ZINC000618551183 348973502 /nfs/dbraw/zinc/97/35/02/348973502.db2.gz ZRJKBZWPLFOUDG-OAHLLOKOSA-N 0 3 294.782 2.497 20 30 CEEDHN C[C@@H](Cn1cccn1)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618806051 349044681 /nfs/dbraw/zinc/04/46/81/349044681.db2.gz MZNUKPGUICAYSM-LRDDRELGSA-N 0 3 266.348 2.420 20 30 CEEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cnc2cnccn12 ZINC000618742030 349034414 /nfs/dbraw/zinc/03/44/14/349034414.db2.gz JKMOKTWEHIKSFF-INIZCTEOSA-N 0 3 289.342 2.378 20 30 CEEDHN C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000619281252 349150489 /nfs/dbraw/zinc/15/04/89/349150489.db2.gz MDXCZQMHSNLKGC-BLLLJJGKSA-N 0 3 281.359 2.403 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]1C)C(C)C ZINC000619663120 349213135 /nfs/dbraw/zinc/21/31/35/349213135.db2.gz SPBCUKLTKYZRAS-HUUCEWRRSA-N 0 3 279.428 2.489 20 30 CEEDHN CC(C)N1CC[C@H](Nc2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000619694890 349219451 /nfs/dbraw/zinc/21/94/51/349219451.db2.gz VECAJQLKXHXHCF-JTQLQIEISA-N 0 3 298.312 2.289 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)c1cc(C#N)oc1C ZINC000619551322 349197627 /nfs/dbraw/zinc/19/76/27/349197627.db2.gz MQIKHOPKKBCZBP-GFCCVEGCSA-N 0 3 275.352 2.064 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@H]1CCN(CCC)C1 ZINC000619901351 349250131 /nfs/dbraw/zinc/25/01/31/349250131.db2.gz QPLYJXKJQBTYRR-AWEZNQCLSA-N 0 3 250.386 2.355 20 30 CEEDHN C=CC(C)(C)CCNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000623725480 350094307 /nfs/dbraw/zinc/09/43/07/350094307.db2.gz ABNCXYIYPQWOQP-LBPRGKRZSA-N 0 3 267.417 2.371 20 30 CEEDHN C=C(C)[C@@H](CO)N1CC[C@]2(C1)OCc1ccccc12 ZINC000681168023 539756879 /nfs/dbraw/zinc/75/68/79/539756879.db2.gz AWBRTUIZBRQSRQ-HZPDHXFCSA-N 0 3 259.349 2.055 20 30 CEEDHN N#Cc1ccc(CN[C@H](CO)[C@H]2CCCOC2)c(Cl)c1 ZINC000411991024 233312313 /nfs/dbraw/zinc/31/23/13/233312313.db2.gz SGQNAZYKEDILGB-DZGCQCFKSA-N 0 3 294.782 2.089 20 30 CEEDHN C=C(CC)CNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000624178343 350220539 /nfs/dbraw/zinc/22/05/39/350220539.db2.gz BYZVQTAPUZXYBJ-CQSZACIVSA-N 0 3 265.401 2.269 20 30 CEEDHN Cn1nccc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000624443423 350286514 /nfs/dbraw/zinc/28/65/14/350286514.db2.gz OJXAHBYUIQDTAY-GFCCVEGCSA-N 0 3 276.299 2.458 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000624784109 350361563 /nfs/dbraw/zinc/36/15/63/350361563.db2.gz GJZZZGNEOILLFR-CQSZACIVSA-N 0 3 265.401 2.221 20 30 CEEDHN CC[C@H](C)N(C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625250167 350441582 /nfs/dbraw/zinc/44/15/82/350441582.db2.gz JIDZMTTXHPIXPV-ZDUSSCGKSA-N 0 3 284.359 2.016 20 30 CEEDHN COC[C@H]1CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000130473753 365960991 /nfs/dbraw/zinc/96/09/91/365960991.db2.gz SMHVYCLKIVQALC-ZDUSSCGKSA-N 0 3 260.337 2.035 20 30 CEEDHN CN1CCC[C@@H](CNC(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000108514812 186220495 /nfs/dbraw/zinc/22/04/95/186220495.db2.gz NQUXYIRZFGSMNV-NSHDSACASA-N 0 3 290.342 2.161 20 30 CEEDHN CCC#C[C@H](C)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000625991462 350622283 /nfs/dbraw/zinc/62/22/83/350622283.db2.gz VROIEAUEJVMUBN-LNSITVRQSA-N 0 3 260.337 2.009 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)CC(O)(CC)CC ZINC000626109589 350656226 /nfs/dbraw/zinc/65/62/26/350656226.db2.gz TXTXVFOWKHUVIN-AWEZNQCLSA-N 0 3 282.428 2.058 20 30 CEEDHN C=CCCCCN[C@H]1CCO[C@H]1c1nc(C)no1 ZINC000626143214 350666442 /nfs/dbraw/zinc/66/64/42/350666442.db2.gz IMWJAXQXNLJDDN-NWDGAFQWSA-N 0 3 251.330 2.154 20 30 CEEDHN C=CCOCCCC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000628976083 351230505 /nfs/dbraw/zinc/23/05/05/351230505.db2.gz SKLHNMVYMFHPCN-OAHLLOKOSA-N 0 3 280.412 2.102 20 30 CEEDHN C[C@@H]1CSCCN1CCOc1ccc(C#N)cc1 ZINC000070219802 363056982 /nfs/dbraw/zinc/05/69/82/363056982.db2.gz PWOMPJLTGBWNRV-GFCCVEGCSA-N 0 3 262.378 2.374 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC3(CCCC3)CC2)C1=O ZINC000337134915 366034430 /nfs/dbraw/zinc/03/44/30/366034430.db2.gz BOSIMICBEXPEPI-CQSZACIVSA-N 0 3 262.397 2.430 20 30 CEEDHN CN(CCC(C)(C)C#N)C[C@@H](O)COCc1ccccc1 ZINC000131572022 366066795 /nfs/dbraw/zinc/06/67/95/366066795.db2.gz RUGUXSAULVAAOK-MRXNPFEDSA-N 0 3 290.407 2.436 20 30 CEEDHN C=CCN1CC[C@H](N2CCSC(CC)(CC)C2)C1=O ZINC000337208073 366077925 /nfs/dbraw/zinc/07/79/25/366077925.db2.gz PVYNXLSMZWKBCZ-ZDUSSCGKSA-N 0 3 282.453 2.381 20 30 CEEDHN C=CCN1CC[C@@H](N2CC[C@H](C)C(C)(C)C2)C1=O ZINC000337214651 366082000 /nfs/dbraw/zinc/08/20/00/366082000.db2.gz XSPSIKURQYTRAV-QWHCGFSZSA-N 0 3 250.386 2.141 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000669694782 539945663 /nfs/dbraw/zinc/94/56/63/539945663.db2.gz MMEGRKKHXBCSCS-GOEBONIOSA-N 0 3 289.423 2.336 20 30 CEEDHN C#CCCOc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000152872314 188050226 /nfs/dbraw/zinc/05/02/26/188050226.db2.gz OPMZCZYPONUVJL-ZACQAIPSSA-N 0 3 271.360 2.498 20 30 CEEDHN C#CCSCCNCc1cc([N+](=O)[O-])ccc1OCC ZINC000152916543 188052635 /nfs/dbraw/zinc/05/26/35/188052635.db2.gz UFHFTXCQRLUWGB-UHFFFAOYSA-N 0 3 294.376 2.450 20 30 CEEDHN C#CCSCCNCc1nc2ccccc2n1C ZINC000152917286 188052688 /nfs/dbraw/zinc/05/26/88/188052688.db2.gz QGTZLEWTUKVYJQ-UHFFFAOYSA-N 0 3 259.378 2.029 20 30 CEEDHN C#CCSCCNCc1ccc(OC)c(OC)c1OC ZINC000152944606 188055288 /nfs/dbraw/zinc/05/52/88/188055288.db2.gz SEXBHLITCYZFIZ-UHFFFAOYSA-N 0 3 295.404 2.168 20 30 CEEDHN CN(C(=O)/C=C/c1cccc(C#N)c1)[C@H]1CCCN(C)C1 ZINC000153708657 188098449 /nfs/dbraw/zinc/09/84/49/188098449.db2.gz YCIXBLNMRYNROQ-FDMDGMSGSA-N 0 3 283.375 2.124 20 30 CEEDHN C=CCC[C@@H](NC(=O)C(C)S(C)(=O)=O)c1ccccc1 ZINC000154250212 188132076 /nfs/dbraw/zinc/13/20/76/188132076.db2.gz YVWNPIYFPZBEFF-TZMCWYRMSA-N 0 3 295.404 2.243 20 30 CEEDHN CC#CCCN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000155637307 188218511 /nfs/dbraw/zinc/21/85/11/188218511.db2.gz VPJZTHMDOOPSPQ-UHFFFAOYSA-N 0 3 299.462 2.149 20 30 CEEDHN CCN1CCCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000155377737 188202106 /nfs/dbraw/zinc/20/21/06/188202106.db2.gz HPJICLLQGJIJTL-UHFFFAOYSA-N 0 3 273.380 2.094 20 30 CEEDHN CN(CCCOc1cccc(C#N)c1)CCn1cccn1 ZINC000156340384 188256863 /nfs/dbraw/zinc/25/68/63/188256863.db2.gz RHXDXGGWPQGPSW-UHFFFAOYSA-N 0 3 284.363 2.156 20 30 CEEDHN CC#CCN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000157441542 188317743 /nfs/dbraw/zinc/31/77/43/188317743.db2.gz NOJQOASLOFFRRR-ZDUSSCGKSA-N 0 3 254.337 2.283 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@@H](O)C12CCCC2 ZINC000292705990 198382638 /nfs/dbraw/zinc/38/26/38/198382638.db2.gz LFUJAUIQFWZZKB-MRXNPFEDSA-N 0 3 286.375 2.446 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CCC(CF)CC2)cc1 ZINC000295219485 199408034 /nfs/dbraw/zinc/40/80/34/199408034.db2.gz XOTGALIRVMGWRJ-OAHLLOKOSA-N 0 3 262.328 2.273 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)C[C@@H]2CC)CC1 ZINC000074132441 363298434 /nfs/dbraw/zinc/29/84/34/363298434.db2.gz CZQGKZGWSRRPOT-HIFRSBDPSA-N 0 3 279.428 2.467 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(C)C2CCC2)CC1 ZINC000074129984 363298946 /nfs/dbraw/zinc/29/89/46/363298946.db2.gz DIHUSEQWEDLRLD-UHFFFAOYSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)C[C@@H]1CSCCN1 ZINC000132544574 366151389 /nfs/dbraw/zinc/15/13/89/366151389.db2.gz LUFWGKYIOLRXHR-OAHLLOKOSA-N 0 3 290.432 2.296 20 30 CEEDHN C=CCCc1ccccc1NC(=O)NCCN(C)C ZINC000337607896 366165812 /nfs/dbraw/zinc/16/58/12/366165812.db2.gz RFKJBHDPBOFNJQ-UHFFFAOYSA-N 0 3 261.369 2.488 20 30 CEEDHN C#CC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000271749478 191305111 /nfs/dbraw/zinc/30/51/11/191305111.db2.gz XFVHEJGVSHXLAO-AWEZNQCLSA-N 0 3 284.319 2.146 20 30 CEEDHN N#CC1(C(=O)N2CC[C@@H](N3CCCC3)C2)CCCCC1 ZINC000071138521 283042583 /nfs/dbraw/zinc/04/25/83/283042583.db2.gz SBOWNQSKCPGVFD-CQSZACIVSA-N 0 3 275.396 2.157 20 30 CEEDHN N#CCSCCCN1CCCC[C@H]1CN1CCCC1=O ZINC000074990693 363431095 /nfs/dbraw/zinc/43/10/95/363431095.db2.gz YPCZJWWRAAGDLD-AWEZNQCLSA-N 0 3 295.452 2.110 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)N(C)CC(C)(C)C#N ZINC000457709277 295902604 /nfs/dbraw/zinc/90/26/04/295902604.db2.gz MKYWMFYAVOPSCS-ZDUSSCGKSA-N 0 3 280.416 2.052 20 30 CEEDHN C[C@@H]1C[C@H](Nc2ncc3c(c2C#N)CCC3)CCN1C ZINC000570083850 299236917 /nfs/dbraw/zinc/23/69/17/299236917.db2.gz NOQZBJKKAPHQOP-DGCLKSJQSA-N 0 3 270.380 2.337 20 30 CEEDHN N#Cc1ccc(CNCCCCO)c(C(F)(F)F)c1 ZINC000352843667 283145239 /nfs/dbraw/zinc/14/52/39/283145239.db2.gz BOGWPKHUWJLVAG-UHFFFAOYSA-N 0 3 272.270 2.439 20 30 CEEDHN N#Cc1ccc(N2CCC(CN3CCOCC3)CC2)cc1 ZINC000298699742 283153226 /nfs/dbraw/zinc/15/32/26/283153226.db2.gz GPLNATPDMGBJCN-UHFFFAOYSA-N 0 3 285.391 2.107 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H](C)c2nc(C)cs2)CC1 ZINC000668368797 538893312 /nfs/dbraw/zinc/89/33/12/538893312.db2.gz HDTIIIWODAARLT-LBPRGKRZSA-N 0 3 293.436 2.322 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000668369805 538893807 /nfs/dbraw/zinc/89/38/07/538893807.db2.gz FNXJRJKQLHCXQC-WDNDVIMCSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCN(CC=C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000079293724 363587918 /nfs/dbraw/zinc/58/79/18/363587918.db2.gz GTUZUGJINDSOQE-CQSZACIVSA-N 0 3 265.401 2.244 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H](C)N1C ZINC000135270522 366419637 /nfs/dbraw/zinc/41/96/37/366419637.db2.gz UEAVIWFLHSFNSY-TXEJJXNPSA-N 0 3 261.344 2.222 20 30 CEEDHN CCN(Cc1cnc2c(C#N)cnn2c1)[C@@H](C)C(C)C ZINC000578359652 366483208 /nfs/dbraw/zinc/48/32/08/366483208.db2.gz PGKPHDLOIGMVQI-LBPRGKRZSA-N 0 3 271.368 2.467 20 30 CEEDHN CC[C@@H]1CN(C)CCN1CC#Cc1ccc(F)cc1 ZINC000578589401 366515692 /nfs/dbraw/zinc/51/56/92/366515692.db2.gz CGBYAFDMENIONN-MRXNPFEDSA-N 0 3 260.356 2.203 20 30 CEEDHN CC[C@H]1CCCN(CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000079964656 363635991 /nfs/dbraw/zinc/63/59/91/363635991.db2.gz TYUVUMMJPIGBMX-KBPBESRZSA-N 0 3 265.401 2.117 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1OC ZINC000278388320 540440558 /nfs/dbraw/zinc/44/05/58/540440558.db2.gz DQFUVEPUKUOAIN-RBSFLKMASA-N 0 3 280.412 2.123 20 30 CEEDHN CCC#C[C@H](C)N1CCC[C@H](CCNC(C)=O)C1 ZINC000672576566 540628344 /nfs/dbraw/zinc/62/83/44/540628344.db2.gz NMHVQHIFWNIDIA-DZGCQCFKSA-N 0 3 250.386 2.027 20 30 CEEDHN CN1CCN(Cc2nc(C#N)cs2)CC12CCCCC2 ZINC000579002307 366578843 /nfs/dbraw/zinc/57/88/43/366578843.db2.gz YKRSGVQEVFIOPK-UHFFFAOYSA-N 0 3 290.436 2.465 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000151091752 366619369 /nfs/dbraw/zinc/61/93/69/366619369.db2.gz VKPNKANYUWWTHV-LSDHHAIUSA-N 0 3 262.397 2.450 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNCc1nc(C#N)cs1 ZINC000352854086 219686759 /nfs/dbraw/zinc/68/67/59/219686759.db2.gz PSWHFHPSKBFJSP-RYUDHWBXSA-N 0 3 278.425 2.367 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cscc2C)CC1 ZINC000151228000 366632056 /nfs/dbraw/zinc/63/20/56/366632056.db2.gz NHCOIWNUBLZJMF-UHFFFAOYSA-N 0 3 262.378 2.340 20 30 CEEDHN CN(C(=O)/C=C/c1ccc(C#N)cc1)C1CCN(C)CC1 ZINC000298198658 200358432 /nfs/dbraw/zinc/35/84/32/200358432.db2.gz FLZJPMGREJCWHS-BQYQJAHWSA-N 0 3 283.375 2.124 20 30 CEEDHN C[C@H]1CCCN(CCNCc2ccc(C#N)s2)C1 ZINC000176948034 189016095 /nfs/dbraw/zinc/01/60/95/189016095.db2.gz DQYHAUVIVRESDW-LBPRGKRZSA-N 0 3 263.410 2.441 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)/C=C/c2cccc(C#N)c2)CN1C1CC1 ZINC000177044405 189024370 /nfs/dbraw/zinc/02/43/70/189024370.db2.gz RMQUWKUZEHRBQX-IZCBRDINSA-N 0 3 295.386 2.313 20 30 CEEDHN C[C@@H]1CN(CCCCNc2ccc(C#N)nc2)C[C@@H](C)O1 ZINC000151979950 366680861 /nfs/dbraw/zinc/68/08/61/366680861.db2.gz VRMGXIVOGRIBOK-ZIAGYGMSSA-N 0 3 288.395 2.255 20 30 CEEDHN CCN(CC)[C@H](CNc1ccnc(C#N)c1)c1ccco1 ZINC000341924615 216153871 /nfs/dbraw/zinc/15/38/71/216153871.db2.gz CUCTZCVKQOZDAT-OAHLLOKOSA-N 0 3 284.363 2.463 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000177539403 189055658 /nfs/dbraw/zinc/05/56/58/189055658.db2.gz FAWSYBIWXDAXEQ-IJEWVQPXSA-N 0 3 270.376 2.002 20 30 CEEDHN CCN(C)C(=O)CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000178194110 189096615 /nfs/dbraw/zinc/09/66/15/189096615.db2.gz MLNVHNBIKZFWGG-UHFFFAOYSA-N 0 3 285.391 2.391 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000675493121 540847046 /nfs/dbraw/zinc/84/70/46/540847046.db2.gz SEQQVCKKXLGHCB-CABCVRRESA-N 0 3 275.396 2.292 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)c1ccc2c(c1)CCC2 ZINC000180812734 189276860 /nfs/dbraw/zinc/27/68/60/189276860.db2.gz AQRWXLPMEWWXOJ-GFCCVEGCSA-N 0 3 258.365 2.128 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC2(CCOC2)CC1 ZINC000677720488 541037345 /nfs/dbraw/zinc/03/73/45/541037345.db2.gz YKMXZPRESRKNIY-HNNXBMFYSA-N 0 3 292.423 2.078 20 30 CEEDHN COCC#CCN1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000677818397 541046331 /nfs/dbraw/zinc/04/63/31/541046331.db2.gz LJSKKJCAOUKJIB-MRXNPFEDSA-N 0 3 261.340 2.482 20 30 CEEDHN N#Cc1ccc(CNC(=O)C2CCN(C3CC3)CC2)s1 ZINC000580061848 366743592 /nfs/dbraw/zinc/74/35/92/366743592.db2.gz DDCQKZMBUSNCJJ-UHFFFAOYSA-N 0 3 289.404 2.110 20 30 CEEDHN C=CCNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000153923536 366747183 /nfs/dbraw/zinc/74/71/83/366747183.db2.gz FQKOMECVXGFCRQ-UHFFFAOYSA-N 0 3 275.396 2.382 20 30 CEEDHN COc1ccc(CN2CC[C@H]([C@H]3CCOC3)C2)cc1C#N ZINC000340173360 366789886 /nfs/dbraw/zinc/78/98/86/366789886.db2.gz KZNHYJJTLPCEQU-GJZGRUSLSA-N 0 3 286.375 2.425 20 30 CEEDHN C=CCC[C@@H](O)CN[C@@H](C[S@](C)=O)c1ccccc1 ZINC000183194241 189350027 /nfs/dbraw/zinc/35/00/27/189350027.db2.gz IHRMTTXCWMVWEX-VCBZYWHSSA-N 0 3 281.421 2.023 20 30 CEEDHN C[C@H]1CN(c2nccnc2C#N)CCN1CC1CCCCC1 ZINC000155496514 366818375 /nfs/dbraw/zinc/81/83/75/366818375.db2.gz WVILISRAGZABTG-AWEZNQCLSA-N 0 3 299.422 2.439 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc(OC)c(OC)cc1SC ZINC000184272522 189381150 /nfs/dbraw/zinc/38/11/50/189381150.db2.gz SZJUHMICWFFIFX-LBPRGKRZSA-N 0 3 297.420 2.452 20 30 CEEDHN CN(C)[C@@H](CNc1ccc(C#N)nn1)c1cccs1 ZINC000301834892 201224456 /nfs/dbraw/zinc/22/44/56/201224456.db2.gz KTBQQUVTYDOEHS-NSHDSACASA-N 0 3 273.365 2.125 20 30 CEEDHN COCC#CCN[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000678775326 541171997 /nfs/dbraw/zinc/17/19/97/541171997.db2.gz XDBPHNJZKVEELR-HZPDHXFCSA-N 0 3 259.349 2.004 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccn(C(F)F)n2)CC1 ZINC000678837654 541181944 /nfs/dbraw/zinc/18/19/44/541181944.db2.gz COADTDSNCXZQNA-UHFFFAOYSA-N 0 3 298.337 2.049 20 30 CEEDHN COc1ccc(CN2CCCC[C@H]2CCO)cc1C#N ZINC000087832763 363872653 /nfs/dbraw/zinc/87/26/53/363872653.db2.gz LMDOWJJGVZQFFA-HNNXBMFYSA-N 0 3 274.364 2.304 20 30 CEEDHN C=CCN1CCC(NC(=O)c2scnc2C2CC2)CC1 ZINC000089819932 364006836 /nfs/dbraw/zinc/00/68/36/364006836.db2.gz GOSPXLPBJYOMLA-UHFFFAOYSA-N 0 3 291.420 2.401 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)CSC)CC1 ZINC000089266535 363952841 /nfs/dbraw/zinc/95/28/41/363952841.db2.gz DDXMEEHCTVJPBB-CYBMUJFWSA-N 0 3 299.484 2.468 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2c(C)noc2CC)CC1 ZINC000089412698 363963423 /nfs/dbraw/zinc/96/34/23/363963423.db2.gz IBYHKLQEOCAMEL-UHFFFAOYSA-N 0 3 292.383 2.317 20 30 CEEDHN C#CCOc1ccccc1CN1CCC[C@H](C(=O)OC)C1 ZINC000092643857 364091672 /nfs/dbraw/zinc/09/16/72/364091672.db2.gz YPBWBYYRXLKGDF-HNNXBMFYSA-N 0 3 287.359 2.084 20 30 CEEDHN N#Cc1csc(CN2CC[C@H](N3CCCC3)C2)c1 ZINC000092757302 364104219 /nfs/dbraw/zinc/10/42/19/364104219.db2.gz WOXSIPXRYYAIPB-ZDUSSCGKSA-N 0 3 261.394 2.290 20 30 CEEDHN N#Cc1ccc(OC2CCC(NCc3ncc[nH]3)CC2)nc1 ZINC000092854223 364113761 /nfs/dbraw/zinc/11/37/61/364113761.db2.gz CUODVPGSXXUCFM-UHFFFAOYSA-N 0 3 297.362 2.156 20 30 CEEDHN C=C[C@H](C)NCc1cnn2cc(Br)cnc12 ZINC000638751314 370725434 /nfs/dbraw/zinc/72/54/34/370725434.db2.gz YNIHFJMJKHDTRN-QMMMGPOBSA-N 0 3 281.157 2.156 20 30 CEEDHN CN(Cc1ccc(C#N)o1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000093609186 364202011 /nfs/dbraw/zinc/20/20/11/364202011.db2.gz PURKAYRZMIFJMQ-MJBXVCDLSA-N 0 3 260.337 2.397 20 30 CEEDHN CC[C@H](CCO)CNCc1ccc(C#N)cc1F ZINC000094954291 364314492 /nfs/dbraw/zinc/31/44/92/364314492.db2.gz WAOUFHTXLJPIGR-LLVKDONJSA-N 0 3 250.317 2.196 20 30 CEEDHN Fc1ccc(C#CCN2CCC(c3nc[nH]n3)CC2)cc1 ZINC000156706828 366836251 /nfs/dbraw/zinc/83/62/51/366836251.db2.gz IRWRCFGXOIANHB-UHFFFAOYSA-N 0 3 284.338 2.175 20 30 CEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(C#N)s1 ZINC000335122554 364507612 /nfs/dbraw/zinc/50/76/12/364507612.db2.gz KXCLSNYGTATPIZ-YPMHNXCESA-N 0 3 289.404 2.319 20 30 CEEDHN CC#CCN1C[C@@H](C(=O)NCCCC)CC[C@@H]1C ZINC000157792035 366849466 /nfs/dbraw/zinc/84/94/66/366849466.db2.gz CUGPMCUJCWOGLU-KBPBESRZSA-N 0 3 250.386 2.027 20 30 CEEDHN Cc1cc(CN2CC3(C2)CCOCC3)ccc1C#N ZINC000335155858 364551767 /nfs/dbraw/zinc/55/17/67/364551767.db2.gz SDZLGGLFFIFAOU-UHFFFAOYSA-N 0 3 256.349 2.479 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000335291719 364679525 /nfs/dbraw/zinc/67/95/25/364679525.db2.gz YSFLVNOJDCDTKY-WBMJQRKESA-N 0 3 270.332 2.194 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000335292083 364679665 /nfs/dbraw/zinc/67/96/65/364679665.db2.gz KRFMXRLLOZGYLC-GXTWGEPZSA-N 0 3 257.337 2.249 20 30 CEEDHN CC(C#N)C(=O)N1CCC(c2c[nH]c3ncccc32)CC1 ZINC000335323509 364685355 /nfs/dbraw/zinc/68/53/55/364685355.db2.gz CMHYHUHZPPGXSW-LLVKDONJSA-N 0 3 282.347 2.429 20 30 CEEDHN CC(C#N)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000335351078 364690774 /nfs/dbraw/zinc/69/07/74/364690774.db2.gz XTCBTQMMKZRKKN-LBPRGKRZSA-N 0 3 291.782 2.144 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCc3cccnc32)CC1 ZINC000192532993 189623837 /nfs/dbraw/zinc/62/38/37/189623837.db2.gz ZYNWSYUJVMORKO-MRXNPFEDSA-N 0 3 299.418 2.268 20 30 CEEDHN C[C@@H]1[C@H](CO)CCCN1Cc1ccc(C#N)s1 ZINC000335632218 212347308 /nfs/dbraw/zinc/34/73/08/212347308.db2.gz DMPLPGCRNFHWLC-MNOVXSKESA-N 0 3 250.367 2.213 20 30 CEEDHN CCCCN(C)CCNC(=O)c1ccc(C#N)cc1 ZINC000112309252 364789088 /nfs/dbraw/zinc/78/90/88/364789088.db2.gz MLIUEWYLEVPJJF-UHFFFAOYSA-N 0 3 259.353 2.020 20 30 CEEDHN N#Cc1ccccc1N1CCN(CC2CCOCC2)CC1 ZINC000112697474 364828707 /nfs/dbraw/zinc/82/87/07/364828707.db2.gz GAJMWWMEKTUUGO-UHFFFAOYSA-N 0 3 285.391 2.107 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC2(CNC(=O)N2C)CC1 ZINC000335600966 212313194 /nfs/dbraw/zinc/31/31/94/212313194.db2.gz DZWILAZJLWJSQG-CYBMUJFWSA-N 0 3 298.390 2.109 20 30 CEEDHN C[C@@]1(O)CCCN(Cc2cc(C#N)cs2)CC1 ZINC000335759559 364941729 /nfs/dbraw/zinc/94/17/29/364941729.db2.gz ZAFRDKAONYRDLJ-CYBMUJFWSA-N 0 3 250.367 2.357 20 30 CEEDHN C=C(C)CN(CC)CCc1nc2ccccc2c(=O)[nH]1 ZINC000114712444 364959001 /nfs/dbraw/zinc/95/90/01/364959001.db2.gz KBCUSJRIMWFAGS-UHFFFAOYSA-N 0 3 271.364 2.364 20 30 CEEDHN N#Cc1ccc(C(=O)N2CCC[C@H]2CN2CCCCC2)cn1 ZINC000115360551 365002343 /nfs/dbraw/zinc/00/23/43/365002343.db2.gz JWGWHGDPGCKNBX-INIZCTEOSA-N 0 3 298.390 2.044 20 30 CEEDHN Cn1cncc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000335810761 365014257 /nfs/dbraw/zinc/01/42/57/365014257.db2.gz JGFSPZODRKRWKV-INIZCTEOSA-N 0 3 266.348 2.459 20 30 CEEDHN C=CCN(C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000119401117 365268126 /nfs/dbraw/zinc/26/81/26/365268126.db2.gz ZFRNYKRFKGWYMZ-ZBFHGGJFSA-N 0 3 287.407 2.477 20 30 CEEDHN CC(C)=CCNC[C@H](O)COc1ccc(CC#N)cc1 ZINC000582236538 366882610 /nfs/dbraw/zinc/88/26/10/366882610.db2.gz AFGFDASWDCLPFA-HNNXBMFYSA-N 0 3 274.364 2.048 20 30 CEEDHN CCN(CCNC(=O)c1ccc(C#N)cc1C)C1CC1 ZINC000120020049 365362205 /nfs/dbraw/zinc/36/22/05/365362205.db2.gz MKTYRNCVMPGELD-UHFFFAOYSA-N 0 3 271.364 2.081 20 30 CEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C#N)s2)C1 ZINC000336109408 365420404 /nfs/dbraw/zinc/42/04/04/365420404.db2.gz XEANARBTHDJLHE-WCQYABFASA-N 0 3 289.404 2.176 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000120600135 365448171 /nfs/dbraw/zinc/44/81/71/365448171.db2.gz NAIGCVZYPFEXIM-MRXNPFEDSA-N 0 3 278.359 2.322 20 30 CEEDHN CC[C@@H](Cn1cncn1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000340462382 366893524 /nfs/dbraw/zinc/89/35/24/366893524.db2.gz MMGMWQSVWOZUTI-WFASDCNBSA-N 0 3 269.352 2.279 20 30 CEEDHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC1)c1cccc(C#N)c1 ZINC000367372736 299360576 /nfs/dbraw/zinc/36/05/76/299360576.db2.gz ABHDNCIPQSDJBL-CXMBCZLWSA-N 0 3 283.375 2.266 20 30 CEEDHN N#Cc1ccc(CN2CCCC[C@H]2CCO)s1 ZINC000159739873 366944864 /nfs/dbraw/zinc/94/48/64/366944864.db2.gz YZJRQSZXHWYFHL-NSHDSACASA-N 0 3 250.367 2.357 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000680998259 541485790 /nfs/dbraw/zinc/48/57/90/541485790.db2.gz ZNBDLZYTKTZGCO-GXTWGEPZSA-N 0 3 250.386 2.189 20 30 CEEDHN N#Cc1cnn2cc(CN3CC[C@@H](CC4CC4)C3)cnc12 ZINC000582905213 366974791 /nfs/dbraw/zinc/97/47/91/366974791.db2.gz HJRNMSMAJOOJLM-ZDUSSCGKSA-N 0 3 281.363 2.223 20 30 CEEDHN CC[C@H]1CN(C)CCN1Cc1ccc(C#N)cc1OC ZINC000583360169 367037282 /nfs/dbraw/zinc/03/72/82/367037282.db2.gz QPSWLSOJLUBOAC-HNNXBMFYSA-N 0 3 273.380 2.093 20 30 CEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000357804968 370829234 /nfs/dbraw/zinc/82/92/34/370829234.db2.gz WZDPGISIQIGNEF-ZBFHGGJFSA-N 0 3 285.391 2.317 20 30 CEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CCCCCC#N ZINC000588459422 367193120 /nfs/dbraw/zinc/19/31/20/367193120.db2.gz KHNXHJAGSSFTAU-UONOGXRCSA-N 0 3 265.401 2.259 20 30 CEEDHN C[C@@H](CO)[C@@H](C)NCc1ccc(C#N)cc1Cl ZINC000162821881 367194233 /nfs/dbraw/zinc/19/42/33/367194233.db2.gz BWOGLTDRMSORLM-VHSXEESVSA-N 0 3 252.745 2.318 20 30 CEEDHN C[C@@H]1CCC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000163088543 367217674 /nfs/dbraw/zinc/21/76/74/367217674.db2.gz LKMCXJHRAWTFRO-IUODEOHRSA-N 0 3 292.404 2.110 20 30 CEEDHN O[C@@H]1CC[C@H]2CCN(CC#Cc3ccc(F)cc3)[C@@H]12 ZINC000626139513 367241206 /nfs/dbraw/zinc/24/12/06/367241206.db2.gz OGQPUSQZLSSCRO-NUEKZKHPSA-N 0 3 259.324 2.022 20 30 CEEDHN C[C@H](CC[S@](C)=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000164639597 367291775 /nfs/dbraw/zinc/29/17/75/367291775.db2.gz UCSYKNGCUTXQGW-FTLABTOESA-N 0 3 264.394 2.366 20 30 CEEDHN C=CCCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000170682416 367397806 /nfs/dbraw/zinc/39/78/06/367397806.db2.gz WLGKZVDOTXAFJG-UHFFFAOYSA-N 0 3 285.391 2.415 20 30 CEEDHN COc1ccc(C[C@H](C)CN(C)C(=O)C(C)C#N)cc1 ZINC000342399697 367405679 /nfs/dbraw/zinc/40/56/79/367405679.db2.gz VLLRMTNMNKBROV-QWHCGFSZSA-N 0 3 274.364 2.492 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@H]1CCCCN1CC ZINC000342430710 367408285 /nfs/dbraw/zinc/40/82/85/367408285.db2.gz BRGAYTVSGNGQSY-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCCN(C)C(=O)NCCN1CCCC[C@H]1CC ZINC000342449487 367409637 /nfs/dbraw/zinc/40/96/37/367409637.db2.gz AJQPLVNWDFCITL-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN C=CC[C@@H](C)[C@H](C)[NH2+]Cc1nnc(C2CCOCC2)[n-]1 ZINC000631697108 367489646 /nfs/dbraw/zinc/48/96/46/367489646.db2.gz XGPZXLGPWBNSQM-NEPJUHHUSA-N 0 3 278.400 2.389 20 30 CEEDHN C=CC[C@@H](C)[C@H](C)NCc1nnc(C2CCOCC2)[nH]1 ZINC000631697108 367489650 /nfs/dbraw/zinc/48/96/50/367489650.db2.gz XGPZXLGPWBNSQM-NEPJUHHUSA-N 0 3 278.400 2.389 20 30 CEEDHN C=CCCOCCCCC(=O)NC1CCN(CC)CC1 ZINC000342601548 367444318 /nfs/dbraw/zinc/44/43/18/367444318.db2.gz FRMHCUIVBKPHQD-UHFFFAOYSA-N 0 3 282.428 2.350 20 30 CEEDHN CC/C=C/CCN1CCN(c2cccc(C#N)n2)CC1 ZINC000342629498 367458595 /nfs/dbraw/zinc/45/85/95/367458595.db2.gz HKCHTOUOMGYPME-ONEGZZNKSA-N 0 3 270.380 2.432 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000171729131 367603557 /nfs/dbraw/zinc/60/35/57/367603557.db2.gz HCBZZBXLPKIBOZ-UHFFFAOYSA-N 0 3 288.395 2.057 20 30 CEEDHN Cc1c(Cl)cnc(NCCN2CCC[C@H](C)C2)c1C#N ZINC000343541041 367873390 /nfs/dbraw/zinc/87/33/90/367873390.db2.gz XBLPZOGXCOKIKU-NSHDSACASA-N 0 3 292.814 2.481 20 30 CEEDHN C=CCN1CC[C@H](N(C)CCCc2ccc(C)nc2)C1=O ZINC000343608195 367912593 /nfs/dbraw/zinc/91/25/93/367912593.db2.gz UNKIBNYIJYJJRK-INIZCTEOSA-N 0 3 287.407 2.041 20 30 CEEDHN COC(=O)[C@]1(C)CCN(Cc2ccc(CC#N)cc2)C1 ZINC000343608331 367914757 /nfs/dbraw/zinc/91/47/57/367914757.db2.gz KNCSPAJBQHKKAD-MRXNPFEDSA-N 0 3 272.348 2.138 20 30 CEEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCCN2CCC)C1 ZINC000633054944 368036558 /nfs/dbraw/zinc/03/65/58/368036558.db2.gz YOZGOIBPRREXGU-ZDUSSCGKSA-N 0 3 250.386 2.333 20 30 CEEDHN CCN(CCC#N)C(=O)[C@H](C(C)C)N1CCCCC1 ZINC000344189764 368113113 /nfs/dbraw/zinc/11/31/13/368113113.db2.gz QITHUOMASVRZMA-AWEZNQCLSA-N 0 3 265.401 2.259 20 30 CEEDHN CCN1C[C@@H](C)N(c2ccc(C)c(C#N)n2)C[C@H]1C ZINC000345110961 368157157 /nfs/dbraw/zinc/15/71/57/368157157.db2.gz KCEXVNVCQYHKIY-CHWSQXEVSA-N 0 3 258.369 2.181 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)CCCN1C ZINC000345283125 368222010 /nfs/dbraw/zinc/22/20/10/368222010.db2.gz SOFNGZCBUMJNJN-QMTHXVAHSA-N 0 3 290.342 2.302 20 30 CEEDHN CN(CCC#N)C(=O)CCNC1(c2cccc(F)c2)CC1 ZINC000179702239 368348041 /nfs/dbraw/zinc/34/80/41/368348041.db2.gz MCPGAPMXHLBHAH-UHFFFAOYSA-N 0 3 289.354 2.167 20 30 CEEDHN C=CCOc1cccc(NC(=O)N2CCCN(C)CC2)c1 ZINC000180658167 368390633 /nfs/dbraw/zinc/39/06/33/368390633.db2.gz ICDXXDYVOSRAMS-UHFFFAOYSA-N 0 3 289.379 2.421 20 30 CEEDHN C[C@H](CCC1CC1)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000345734609 368395022 /nfs/dbraw/zinc/39/50/22/368395022.db2.gz AJQXORXHSSRTET-ABAIWWIYSA-N 0 3 271.364 2.253 20 30 CEEDHN CN1CCN(CCCSc2cccc(C#N)c2)CC1 ZINC000181322886 368444593 /nfs/dbraw/zinc/44/45/93/368444593.db2.gz YQIANFSLDBBJPN-UHFFFAOYSA-N 0 3 275.421 2.288 20 30 CEEDHN C[C@@H](NCC1([S@](C)=O)CC1)c1ccc(C#N)c(F)c1 ZINC000282171026 296119928 /nfs/dbraw/zinc/11/99/28/296119928.db2.gz DZUPGIZTLPKOTN-DGIBIBHMSA-N 0 3 280.368 2.259 20 30 CEEDHN CN(Cc1cc(F)ccc1C#N)[C@H]1CCN(C2CC2)C1 ZINC000345867995 368461511 /nfs/dbraw/zinc/46/15/11/368461511.db2.gz DZMSNRIDLBJVKE-INIZCTEOSA-N 0 3 273.355 2.366 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)c1cnn(CCN(C)C)c1 ZINC000633966107 368477141 /nfs/dbraw/zinc/47/71/41/368477141.db2.gz FSPCBEGVNDLNJD-UHFFFAOYSA-N 0 3 292.427 2.167 20 30 CEEDHN N#CCNC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182590928 368570743 /nfs/dbraw/zinc/57/07/43/368570743.db2.gz DHYLJOMBQVWBDT-OAHLLOKOSA-N 0 3 291.782 2.411 20 30 CEEDHN C[C@@H](NCCc1cnccn1)c1ccc(C#N)c(F)c1 ZINC000346156269 368566368 /nfs/dbraw/zinc/56/63/68/368566368.db2.gz GWWUAPWWQXOMAI-LLVKDONJSA-N 0 3 270.311 2.381 20 30 CEEDHN C[C@H]1C[C@H]1N1CCN(C(=O)CC(C)(C)C#N)C[C@@H](C)C1 ZINC000346260482 368609912 /nfs/dbraw/zinc/60/99/12/368609912.db2.gz LTYQBFFJGGRUTH-MELADBBJSA-N 0 3 277.412 2.115 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H](CCO)C(C)(C)C ZINC000183655576 368638554 /nfs/dbraw/zinc/63/85/54/368638554.db2.gz GJILXIXXDQJMKU-OAHLLOKOSA-N 0 3 276.380 2.454 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H]1C1CCC1 ZINC000246012796 370899695 /nfs/dbraw/zinc/89/96/95/370899695.db2.gz KXPDHRFNVXFASF-ZFWWWQNUSA-N 0 3 277.412 2.259 20 30 CEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000346448516 368679131 /nfs/dbraw/zinc/67/91/31/368679131.db2.gz TXBBYLYYRBBTDA-BZPMIXESSA-N 0 3 291.420 2.407 20 30 CEEDHN CC[C@H]1CCCCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000246210501 370928092 /nfs/dbraw/zinc/92/80/92/370928092.db2.gz OUENRQPUXUFGNM-GOEBONIOSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CCC[C@H](O)CN(C)[C@H]1CCCc2c1cnn2C ZINC000246277738 370939574 /nfs/dbraw/zinc/93/95/74/370939574.db2.gz NEURBSLRBQVUTC-JSGCOSHPSA-N 0 3 263.385 2.056 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCN1CCCC(C)(C)C1 ZINC000347415379 368808341 /nfs/dbraw/zinc/80/83/41/368808341.db2.gz BDCYDZZHLXJVAY-HUUCEWRRSA-N 0 3 294.439 2.206 20 30 CEEDHN CCN1C[C@@H](C)N(CC#Cc2ccccc2)[C@H](C)C1 ZINC000347693990 368816746 /nfs/dbraw/zinc/81/67/46/368816746.db2.gz SBEGBDLLXPQIDZ-HZPDHXFCSA-N 0 3 256.393 2.453 20 30 CEEDHN C#CCSCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000186070429 368914763 /nfs/dbraw/zinc/91/47/63/368914763.db2.gz IAFIXSDNSFOPPT-NSHDSACASA-N 0 3 265.378 2.418 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@H]1CCCOC1 ZINC000348143666 368918019 /nfs/dbraw/zinc/91/80/19/368918019.db2.gz PZXPNDPHJAOISV-OCCSQVGLSA-N 0 3 274.364 2.472 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000186673737 369017270 /nfs/dbraw/zinc/01/72/70/369017270.db2.gz ZMIQKWDWNRZBBU-MRXNPFEDSA-N 0 3 297.402 2.190 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000348535346 369075153 /nfs/dbraw/zinc/07/51/53/369075153.db2.gz XRFSOTKPYTWFOC-NFFDBFGFSA-N 0 3 288.391 2.220 20 30 CEEDHN CCS[C@@H]1CCC[C@H]1NCC(=O)N(CC)C[C@H](C)C#N ZINC000348463338 369053940 /nfs/dbraw/zinc/05/39/40/369053940.db2.gz ANFVBFHIURMCLF-MGPQQGTHSA-N 0 3 297.468 2.258 20 30 CEEDHN CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)CN(C)C ZINC000348883890 369190848 /nfs/dbraw/zinc/19/08/48/369190848.db2.gz WKSIQXXIHUNASH-LLVKDONJSA-N 0 3 290.367 2.029 20 30 CEEDHN COC(=O)c1coc(CNCCc2cccc(C#N)c2)c1 ZINC000343635949 216857861 /nfs/dbraw/zinc/85/78/61/216857861.db2.gz HPZFCTPPHGRXDA-UHFFFAOYSA-N 0 3 284.315 2.270 20 30 CEEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)CC(F)(F)F ZINC000188619082 369383095 /nfs/dbraw/zinc/38/30/95/369383095.db2.gz PGJNPHGHXAWEAN-GFCCVEGCSA-N 0 3 272.270 2.303 20 30 CEEDHN C=CCOc1cccc(CN(CCO)CCCOC)c1 ZINC000276099972 193213279 /nfs/dbraw/zinc/21/32/79/193213279.db2.gz YWVGCRBZHMSZNZ-UHFFFAOYSA-N 0 3 279.380 2.082 20 30 CEEDHN COc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1OC ZINC000349827061 369412945 /nfs/dbraw/zinc/41/29/45/369412945.db2.gz GLSIGIOXPKZLHK-YPMHNXCESA-N 0 3 260.337 2.486 20 30 CEEDHN COc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(OC)c1OC ZINC000349833529 369416153 /nfs/dbraw/zinc/41/61/53/369416153.db2.gz ZFGISBDCNUQDQE-AAEUAGOBSA-N 0 3 290.363 2.494 20 30 CEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C#N)cs2)C1 ZINC000246457513 370963541 /nfs/dbraw/zinc/96/35/41/370963541.db2.gz CEDDOOLANSLMCH-STQMWFEESA-N 0 3 289.404 2.176 20 30 CEEDHN C[C@H](CN(C)C)NC(=O)Nc1ccc(C#N)cc1Cl ZINC000350186885 369524322 /nfs/dbraw/zinc/52/43/22/369524322.db2.gz IFOBYZYLLIOOIH-SECBINFHSA-N 0 3 280.759 2.283 20 30 CEEDHN C[C@@H](NCC#CCN[C@H](C)c1cccnc1)c1cccnc1 ZINC000276344073 193294480 /nfs/dbraw/zinc/29/44/80/193294480.db2.gz URKAAIFZABEQOS-HZPDHXFCSA-N 0 3 294.402 2.481 20 30 CEEDHN C=CCCCCNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000351614392 369644070 /nfs/dbraw/zinc/64/40/70/369644070.db2.gz GVPMMBBFXYTMCM-OLZOCXBDSA-N 0 3 265.401 2.267 20 30 CEEDHN CN(CC#Cc1ccc(Cl)cc1)CCCCO ZINC000276437493 193330393 /nfs/dbraw/zinc/33/03/93/193330393.db2.gz TXRMJLOPUGHQJA-UHFFFAOYSA-N 0 3 251.757 2.396 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1cnn(C(C)C)c1C ZINC000191498507 369718401 /nfs/dbraw/zinc/71/84/01/369718401.db2.gz OJRXWGZQKQJZKD-DGCLKSJQSA-N 0 3 251.374 2.360 20 30 CEEDHN COc1ccc(O[C@@H](C)CNCc2cc(C#N)n(C)c2)cc1 ZINC000191224495 369691949 /nfs/dbraw/zinc/69/19/49/369691949.db2.gz CGWUSOXHYSAFGJ-ZDUSSCGKSA-N 0 3 299.374 2.462 20 30 CEEDHN Cn1cc(CN(CCO)[C@H]2CCc3ccccc32)cc1C#N ZINC000191360144 369705381 /nfs/dbraw/zinc/70/53/81/369705381.db2.gz MKWQFSLHVOKPFV-SFHVURJKSA-N 0 3 295.386 2.379 20 30 CEEDHN C=CCN1CCC(Nc2nnc(CC)c(CC)n2)CC1 ZINC000276534085 193371911 /nfs/dbraw/zinc/37/19/11/193371911.db2.gz WCTGCRPUIRHFLN-UHFFFAOYSA-N 0 3 275.400 2.059 20 30 CEEDHN COC1(CNCc2cc(C#N)n(C)c2)CCCCC1 ZINC000191615167 369726053 /nfs/dbraw/zinc/72/60/53/369726053.db2.gz DXYWJTBTPYQGQZ-UHFFFAOYSA-N 0 3 261.369 2.336 20 30 CEEDHN CO[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000352612100 369806316 /nfs/dbraw/zinc/80/63/16/369806316.db2.gz MRRPPBIWEMHTCH-MRXNPFEDSA-N 0 3 296.374 2.179 20 30 CEEDHN C=CCN1CCC(Nc2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000192575191 369829241 /nfs/dbraw/zinc/82/92/41/369829241.db2.gz SRMYXMWPIHOGBG-UHFFFAOYSA-N 0 3 293.371 2.182 20 30 CEEDHN C#CCCCC(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000192193696 369780009 /nfs/dbraw/zinc/78/00/09/369780009.db2.gz GGFDGUVNOYXVKZ-UHFFFAOYSA-N 0 3 274.364 2.369 20 30 CEEDHN C[C@@H]1C[C@@H](CN2CCN(c3ccccc3C#N)CC2)CCO1 ZINC000352700509 369843597 /nfs/dbraw/zinc/84/35/97/369843597.db2.gz QPYQQRIXSPCGPK-CVEARBPZSA-N 0 3 299.418 2.495 20 30 CEEDHN N#Cc1ccc(OC(=O)C2CCN(C3CC3)CC2)c(F)c1 ZINC000192740858 369848836 /nfs/dbraw/zinc/84/88/36/369848836.db2.gz MHUXVGXIOCXUGO-UHFFFAOYSA-N 0 3 288.322 2.477 20 30 CEEDHN CC(C)C[C@@H](CNCc1nc(C#N)cs1)N(C)C ZINC000352841343 369908199 /nfs/dbraw/zinc/90/81/99/369908199.db2.gz QFAIOQXQPXGIKO-LBPRGKRZSA-N 0 3 266.414 2.081 20 30 CEEDHN COc1ccc(CN[C@H](CO)C(C)(C)C)cc1C#N ZINC000193114501 369894579 /nfs/dbraw/zinc/89/45/79/369894579.db2.gz AGJMJOZZEUJWBW-CQSZACIVSA-N 0 3 262.353 2.063 20 30 CEEDHN C[C@@H](CNCc1nc(C#N)cs1)N1CCC(C)CC1 ZINC000352838397 369904446 /nfs/dbraw/zinc/90/44/46/369904446.db2.gz 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CEEDHN CC[C@H]1[C@@H](CO)CCN1Cc1ccc(F)c(C#N)c1 ZINC000386274393 375256698 /nfs/dbraw/zinc/25/66/98/375256698.db2.gz MVMGFZUBEXJZJL-DOMZBBRYSA-N 0 3 262.328 2.290 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(C(=O)OC)c(C)o1 ZINC000280826734 375334182 /nfs/dbraw/zinc/33/41/82/375334182.db2.gz WFFQGWLUZSGNNI-WFASDCNBSA-N 0 3 293.363 2.445 20 30 CEEDHN C[C@H]1C[C@H](Nc2ccnc(C#N)c2)CN1Cc1ccccc1 ZINC000398118873 375346349 /nfs/dbraw/zinc/34/63/49/375346349.db2.gz GOOONNMPFRHCMQ-KSSFIOAISA-N 0 3 292.386 2.450 20 30 CEEDHN C[C@H]1C[C@@H](Nc2cc(C#N)ncn2)CN1Cc1ccccc1 ZINC000398124762 375346598 /nfs/dbraw/zinc/34/65/98/375346598.db2.gz HWJJTCIRGWLWCP-XJKSGUPXSA-N 0 3 293.374 2.423 20 30 CEEDHN COc1cc(CNC[C@H]2CC[C@H](C)O2)ccc1C#N ZINC000398118478 375347214 /nfs/dbraw/zinc/34/72/14/375347214.db2.gz FQWMERQBAJSCCI-SMDDNHRTSA-N 0 3 260.337 2.224 20 30 CEEDHN C=CC[C@@H](CC)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000280988601 375348109 /nfs/dbraw/zinc/34/81/09/375348109.db2.gz IWGNYOJLJQLBRD-OLZOCXBDSA-N 0 3 250.317 2.296 20 30 CEEDHN Cc1ccc(C#N)c(N[C@H]2C[C@@H](C)N(C3CC3)C2)n1 ZINC000408106776 375411095 /nfs/dbraw/zinc/41/10/95/375411095.db2.gz ZLHGAWUQPJWMDZ-YPMHNXCESA-N 0 3 256.353 2.299 20 30 CEEDHN COc1cc(CN2CC[C@@H](C)[C@@H](OC)C2)ccc1C#N ZINC000282288976 375448717 /nfs/dbraw/zinc/44/87/17/375448717.db2.gz LPOOMUIGQTUJDL-WBMJQRKESA-N 0 3 274.364 2.424 20 30 CEEDHN C[C@@H](N[C@H]1CCC(=O)NC12CCC2)c1cccc(C#N)c1 ZINC000282943095 375620969 /nfs/dbraw/zinc/62/09/69/375620969.db2.gz ZXGQEHVGRIYXIR-DOMZBBRYSA-N 0 3 283.375 2.410 20 30 CEEDHN N#C[C@H]1CCC[C@H](N[C@H]2CCCC(F)(F)[C@@H]2O)C1 ZINC000414309323 375829604 /nfs/dbraw/zinc/82/96/04/375829604.db2.gz XQVZVECYMMVWIG-FIQHERPVSA-N 0 3 258.312 2.207 20 30 CEEDHN Cc1cc(C#N)nc(NCCN(C)Cc2ccccc2)n1 ZINC000286364956 375929000 /nfs/dbraw/zinc/92/90/00/375929000.db2.gz LUKZSVZUGFAESU-UHFFFAOYSA-N 0 3 281.363 2.201 20 30 CEEDHN CN1CCN(c2ccnc(C#N)c2)C[C@H]1Cc1ccccc1 ZINC000286835981 376080621 /nfs/dbraw/zinc/08/06/21/376080621.db2.gz YVGJZHSTYNLIDB-GOSISDBHSA-N 0 3 292.386 2.316 20 30 CEEDHN C=CCNC(=O)CN[C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417322643 376186995 /nfs/dbraw/zinc/18/69/95/376186995.db2.gz WGKYYFGKCJTYCS-SDDRHHMPSA-N 0 3 264.394 2.132 20 30 CEEDHN C=C(C)COc1cc(CN(C)[C@H](C)CO)ccc1OC ZINC000289409327 376393911 /nfs/dbraw/zinc/39/39/11/376393911.db2.gz HOTMXZVOQRWEFX-CYBMUJFWSA-N 0 3 279.380 2.463 20 30 CEEDHN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4ccc(C#N)o4)[C@H]1[C@H]3C2 ZINC000289678340 376443387 /nfs/dbraw/zinc/44/33/87/376443387.db2.gz NUYOLFKHBBLGMQ-ZOBYWKAUSA-N 0 3 258.321 2.006 20 30 CEEDHN C=CCOCCN1CCC[C@@H]1COc1cccnc1C ZINC000419388979 376449527 /nfs/dbraw/zinc/44/95/27/376449527.db2.gz KVCDRIBREVBBSS-OAHLLOKOSA-N 0 3 276.380 2.436 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@@](C)(N)CCC ZINC000262709247 190061478 /nfs/dbraw/zinc/06/14/78/190061478.db2.gz OTMAQAFZZOFYRS-INIZCTEOSA-N 0 3 276.380 2.385 20 30 CEEDHN C[C@@H](NC[C@H](O)COCC1CC1)c1ccc(C#N)cc1F ZINC000305815408 376503640 /nfs/dbraw/zinc/50/36/40/376503640.db2.gz LUWYOVBOIFGQQH-RISCZKNCSA-N 0 3 292.354 2.135 20 30 CEEDHN C=CCC1(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)CCC1 ZINC000556966609 376527008 /nfs/dbraw/zinc/52/70/08/376527008.db2.gz OIQMHQJVKKVBLB-UONOGXRCSA-N 0 3 262.397 2.428 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CSC(F)(F)F)CC1 ZINC000264468781 190111537 /nfs/dbraw/zinc/11/15/37/190111537.db2.gz IHFQPMGJZXHSLY-UHFFFAOYSA-N 0 3 296.358 2.396 20 30 CEEDHN C=CCN1CCC(NC(=O)NCc2ccsc2)CC1 ZINC000264435503 190109097 /nfs/dbraw/zinc/10/90/97/190109097.db2.gz VOABEYROCORVBJ-UHFFFAOYSA-N 0 3 279.409 2.198 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2c(C)noc2C)CC1 ZINC000264431231 190109648 /nfs/dbraw/zinc/10/96/48/190109648.db2.gz JOAYFVNLIMGLKI-UHFFFAOYSA-N 0 3 278.356 2.063 20 30 CEEDHN CCN(CCOc1ccccc1C#N)[C@@H]1CCOC1 ZINC000311445430 376670747 /nfs/dbraw/zinc/67/07/47/376670747.db2.gz HRXJAOGHWYVCLW-CQSZACIVSA-N 0 3 260.337 2.048 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC[C@@]12CCOC2 ZINC000312914114 376732935 /nfs/dbraw/zinc/73/29/35/376732935.db2.gz BTWHQZPVIPIQQH-INIZCTEOSA-N 0 3 272.348 2.192 20 30 CEEDHN C=CCN1CC[C@@H](N2CC[C@H](C3CCCC3)C2)C1=O ZINC000420965961 376751287 /nfs/dbraw/zinc/75/12/87/376751287.db2.gz UCGMOAMLFKDNKD-LSDHHAIUSA-N 0 3 262.397 2.285 20 30 CEEDHN CN(Cc1ccccc1)C1CN(c2ccncc2C#N)C1 ZINC000561418537 376807113 /nfs/dbraw/zinc/80/71/13/376807113.db2.gz UCHICZGLESXRKK-UHFFFAOYSA-N 0 3 278.359 2.274 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC000328780574 376897780 /nfs/dbraw/zinc/89/77/80/376897780.db2.gz GZVBXIXPLPQAEJ-NWDGAFQWSA-N 0 3 267.373 2.326 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC000328647206 376871500 /nfs/dbraw/zinc/87/15/00/376871500.db2.gz HUEZJRPIZSFLBO-GMXABZIVSA-N 0 3 279.384 2.182 20 30 CEEDHN C[C@@H]1CC(=O)N[C@H](C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000328692195 376879782 /nfs/dbraw/zinc/87/97/82/376879782.db2.gz JBUUIJORWPKMMM-GWCFXTLKSA-N 0 3 279.384 2.325 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3nncn3C3CC3)C2)C1 ZINC000328855383 376910431 /nfs/dbraw/zinc/91/04/31/376910431.db2.gz TWXUZHWCKBNYJP-UMVBOHGHSA-N 0 3 285.395 2.485 20 30 CEEDHN CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000328954059 376927057 /nfs/dbraw/zinc/92/70/57/376927057.db2.gz OJQNDZBUCKPNAP-IUODEOHRSA-N 0 3 290.411 2.486 20 30 CEEDHN CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000328954059 376927062 /nfs/dbraw/zinc/92/70/62/376927062.db2.gz OJQNDZBUCKPNAP-IUODEOHRSA-N 0 3 290.411 2.486 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC000329642875 376977705 /nfs/dbraw/zinc/97/77/05/376977705.db2.gz AFYPICKYCUJQOC-HNCHTBHHSA-N 0 3 279.384 2.181 20 30 CEEDHN CC(C)(CO)[C@H](NCc1ccccc1C#N)C1CC1 ZINC000291011873 377031048 /nfs/dbraw/zinc/03/10/48/377031048.db2.gz WXBMWUOMKXGNSJ-OAHLLOKOSA-N 0 3 258.365 2.445 20 30 CEEDHN Cc1nc(NC[C@@H](C)N(C)C)c(Cl)cc1C#N ZINC000290950012 376998762 /nfs/dbraw/zinc/99/87/62/376998762.db2.gz LVNDHVOLCKWCAL-MRVPVSSYSA-N 0 3 252.749 2.277 20 30 CEEDHN CCN1CCCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000264739425 190131890 /nfs/dbraw/zinc/13/18/90/190131890.db2.gz JIYYNZIXRHUDHD-CMDGGOBGSA-N 0 3 283.375 2.126 20 30 CEEDHN C=CCOc1cccc(CN2CCNC[C@H]2C(F)F)c1 ZINC000563134955 377102900 /nfs/dbraw/zinc/10/29/00/377102900.db2.gz ATWSEFFNCZVYJZ-AWEZNQCLSA-N 0 3 282.334 2.290 20 30 CEEDHN C#CCN(Cc1ccccc1)C(=O)CC1CCN(C)CC1 ZINC000291770073 377209589 /nfs/dbraw/zinc/20/95/89/377209589.db2.gz HGFGISOPOQBRJD-UHFFFAOYSA-N 0 3 284.403 2.380 20 30 CEEDHN CO[C@@H]1C[C@@H](NCc2ccc(C#N)cn2)C12CCC2 ZINC000563510451 377237845 /nfs/dbraw/zinc/23/78/45/377237845.db2.gz LZRQLUDEAIMALF-ZIAGYGMSSA-N 0 3 257.337 2.000 20 30 CEEDHN C=CCOCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000292720889 377264055 /nfs/dbraw/zinc/26/40/55/377264055.db2.gz ANVFRAPLLBZDFN-MRXNPFEDSA-N 0 3 260.381 2.178 20 30 CEEDHN C#CCN(C)CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000292869867 377322509 /nfs/dbraw/zinc/32/25/09/377322509.db2.gz SWEWFMBFPUKCNA-UHFFFAOYSA-N 0 3 282.731 2.010 20 30 CEEDHN COCCCN(C)CCNc1nc(C)c(C#N)cc1Cl ZINC000292814378 377296505 /nfs/dbraw/zinc/29/65/05/377296505.db2.gz ZGPQWRMRPGVBDH-UHFFFAOYSA-N 0 3 296.802 2.295 20 30 CEEDHN CCC(=O)N1CC[C@@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000564258379 377365401 /nfs/dbraw/zinc/36/54/01/377365401.db2.gz DEDNNTLPHISVDV-ZBFHGGJFSA-N 0 3 283.375 2.146 20 30 CEEDHN CC(C)(C#N)CCCN1CCC[C@H](n2ccnn2)C1 ZINC000425504802 377351958 /nfs/dbraw/zinc/35/19/58/377351958.db2.gz XIQZRAUPJWUTDU-ZDUSSCGKSA-N 0 3 261.373 2.245 20 30 CEEDHN C[C@@H]1CCCN(CCOc2cccc(C#N)c2)[C@H]1CO ZINC000331271422 377354491 /nfs/dbraw/zinc/35/44/91/377354491.db2.gz NEKHVBUPFOZRMP-CJNGLKHVSA-N 0 3 274.364 2.030 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(Oc2ccncc2C)CC1 ZINC000685579653 542163025 /nfs/dbraw/zinc/16/30/25/542163025.db2.gz BJGMWXUDEHBYOS-HNNXBMFYSA-N 0 3 276.380 2.170 20 30 CEEDHN CC(C)(CC#N)CNCc1cnc(N2CCCC2)nc1 ZINC000564543195 377405382 /nfs/dbraw/zinc/40/53/82/377405382.db2.gz YGIHVNYGBIFLNG-UHFFFAOYSA-N 0 3 273.384 2.106 20 30 CEEDHN C[C@H]1CC[C@H](N(C)CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000429562921 377517622 /nfs/dbraw/zinc/51/76/22/377517622.db2.gz AARARHZSAVQOIZ-BBRMVZONSA-N 0 3 285.391 2.295 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1nc(CC(C)C)no1 ZINC000429723903 377518927 /nfs/dbraw/zinc/51/89/27/377518927.db2.gz OBXVVOCEUQFXAO-UHFFFAOYSA-N 0 3 280.416 2.208 20 30 CEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCC1(CC#N)CC1 ZINC000430422607 377529975 /nfs/dbraw/zinc/52/99/75/377529975.db2.gz DGGYQBLJEUPDMY-KBPBESRZSA-N 0 3 292.427 2.100 20 30 CEEDHN C[C@@H](CN[C@@H]1CCC[C@@H]1C#N)CN[C@H]1CCC[C@H]1C#N ZINC000332329115 377569077 /nfs/dbraw/zinc/56/90/77/377569077.db2.gz PIWUXQJSZKXSOI-FRXHMLBDSA-N 0 3 274.412 2.186 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ncoc2CC)CC1 ZINC000265774481 190205958 /nfs/dbraw/zinc/20/59/58/190205958.db2.gz IRVWKOJWAUHCKF-UHFFFAOYSA-N 0 3 277.368 2.007 20 30 CEEDHN N#CCCC[C@H](NCCN1C(=O)CCC1=O)c1ccccc1 ZINC000433028472 377779897 /nfs/dbraw/zinc/77/98/97/377779897.db2.gz ORJQMKUFTTYJRR-HNNXBMFYSA-N 0 3 299.374 2.160 20 30 CEEDHN C=CCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000265862761 190213585 /nfs/dbraw/zinc/21/35/85/190213585.db2.gz XSKNXMOKEDJTJN-UHFFFAOYSA-N 0 3 255.365 2.252 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000433373831 377791032 /nfs/dbraw/zinc/79/10/32/377791032.db2.gz HNNYXMZCNQMZGF-GJZGRUSLSA-N 0 3 273.380 2.488 20 30 CEEDHN C=CCN(C1CC1)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000433886864 377793482 /nfs/dbraw/zinc/79/34/82/377793482.db2.gz FOODFQJXIFKIFT-UHFFFAOYSA-N 0 3 294.420 2.087 20 30 CEEDHN CS[C@@H]1CCN(CCOc2ccc(C#N)cc2)C1 ZINC000294177756 377930484 /nfs/dbraw/zinc/93/04/84/377930484.db2.gz DDPURONKDNRBKV-CQSZACIVSA-N 0 3 262.378 2.374 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)NCC2CCC(C#N)CC2)CCCN1C ZINC000440984891 377933630 /nfs/dbraw/zinc/93/36/30/377933630.db2.gz HCCMTTGIPKOGPV-URGYJCLVSA-N 0 3 292.427 2.098 20 30 CEEDHN CCS(=O)(=O)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442828726 378005253 /nfs/dbraw/zinc/00/52/53/378005253.db2.gz QLDNAPCKADFMJY-UONOGXRCSA-N 0 3 292.404 2.262 20 30 CEEDHN C=C[C@H]1CCCCN1[C@H]1CCCN(C(C)C)C1=O ZINC000447880225 378151821 /nfs/dbraw/zinc/15/18/21/378151821.db2.gz UJZUDTYDAUBBNG-KBPBESRZSA-N 0 3 250.386 2.426 20 30 CEEDHN C[C@H](CCS(C)(=O)=O)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346209268 217839013 /nfs/dbraw/zinc/83/90/13/217839013.db2.gz WZGUMIRJTGLPPG-MNOVXSKESA-N 0 3 298.383 2.171 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)[C@@]2(C#N)C[C@H]2C)N(C)C)cc1 ZINC000448809365 378185519 /nfs/dbraw/zinc/18/55/19/378185519.db2.gz FQTVYBKUGMDPHF-UKPHBRMFSA-N 0 3 285.391 2.264 20 30 CEEDHN C=CCC[C@@H](CO)NCc1c[nH]c(-c2ccccc2)n1 ZINC000449700622 378222512 /nfs/dbraw/zinc/22/25/12/378222512.db2.gz UQUKCGMGDJZVOM-AWEZNQCLSA-N 0 3 271.364 2.493 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cnc(-c2ccccc2)[nH]1 ZINC000449700622 378222516 /nfs/dbraw/zinc/22/25/16/378222516.db2.gz UQUKCGMGDJZVOM-AWEZNQCLSA-N 0 3 271.364 2.493 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(OC)ccc1OC ZINC000449519445 378215270 /nfs/dbraw/zinc/21/52/70/378215270.db2.gz MRQPYWQSDQFZEX-KGLIPLIRSA-N 0 3 263.337 2.137 20 30 CEEDHN C=CCCCNC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000447950463 378163004 /nfs/dbraw/zinc/16/30/04/378163004.db2.gz AGZSNRJSLAUFCT-UONOGXRCSA-N 0 3 267.417 2.372 20 30 CEEDHN C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000448603139 378175230 /nfs/dbraw/zinc/17/52/30/378175230.db2.gz DGCWNFXAIVVOTA-QGPMSJSTSA-N 0 3 297.402 2.489 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(C)c1 ZINC000296128866 378426495 /nfs/dbraw/zinc/42/64/95/378426495.db2.gz CLJUIDLGWVFYJH-UHFFFAOYSA-N 0 3 259.353 2.072 20 30 CEEDHN C=CCC[C@H](O)CN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296629936 378598160 /nfs/dbraw/zinc/59/81/60/378598160.db2.gz HRKZYQIQAUBPBD-INIZCTEOSA-N 0 3 288.391 2.077 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)CCCCCC=C ZINC000296907777 378657129 /nfs/dbraw/zinc/65/71/29/378657129.db2.gz NOHJIWJDDBFRSJ-UHFFFAOYSA-N 0 3 279.428 2.329 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)/C=C/c2ccccc2C#N)C1 ZINC000298498207 378746874 /nfs/dbraw/zinc/74/68/74/378746874.db2.gz MKRXBUVPUWMTSW-XVJNWHFHSA-N 0 3 297.402 2.420 20 30 CEEDHN CCC[C@H](C)N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000298439791 378726906 /nfs/dbraw/zinc/72/69/06/378726906.db2.gz BULFFPLODPLNKI-ZDUSSCGKSA-N 0 3 273.380 2.295 20 30 CEEDHN C#CC[C@H](NC(=O)[C@@H](CC)N(C)C)c1ccccc1 ZINC000298681050 378799999 /nfs/dbraw/zinc/79/99/99/378799999.db2.gz UQZFOAAMLNBCGI-LSDHHAIUSA-N 0 3 258.365 2.207 20 30 CEEDHN C#CCN(CC)C[C@H](O)COc1ccc(Cl)cc1 ZINC000299174343 378925314 /nfs/dbraw/zinc/92/53/14/378925314.db2.gz VOXRDWLEDFWTLM-ZDUSSCGKSA-N 0 3 267.756 2.035 20 30 CEEDHN N#Cc1ccc(CNCC2(CO)CC3(CCC3)C2)o1 ZINC000278731393 194128127 /nfs/dbraw/zinc/12/81/27/194128127.db2.gz ULEUHWMQIXAWPX-UHFFFAOYSA-N 0 3 260.337 2.184 20 30 CEEDHN C=CCN1CCC(NC(=O)NC(C)(C)C(C)C)CC1 ZINC000515702130 379235481 /nfs/dbraw/zinc/23/54/81/379235481.db2.gz WNYDSEQYNJAPGC-UHFFFAOYSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CCC[C@H](NCCNC(=O)c1ccn[nH]1)c1ccco1 ZINC000278906212 194205637 /nfs/dbraw/zinc/20/56/37/194205637.db2.gz JFBYPUYFWHORQP-LBPRGKRZSA-N 0 3 288.351 2.030 20 30 CEEDHN C[C@@]1(CNCc2cnc3ccc(C#N)cn23)CCCC[C@@H]1O ZINC000304647557 379588396 /nfs/dbraw/zinc/58/83/96/379588396.db2.gz PJIZRICTYPWDTG-RDJZCZTQSA-N 0 3 298.390 2.237 20 30 CEEDHN C[C@@]1(CNCc2cnc3ccc(C#N)cn23)CCCC[C@H]1O ZINC000304647560 379588748 /nfs/dbraw/zinc/58/87/48/379588748.db2.gz PJIZRICTYPWDTG-WBVHZDCISA-N 0 3 298.390 2.237 20 30 CEEDHN Cc1cc(NC(=O)C(C)C(F)(F)F)n(CCC#N)n1 ZINC000524681207 379626394 /nfs/dbraw/zinc/62/63/94/379626394.db2.gz XTOGPTOHDJPLMS-MRVPVSSYSA-N 0 3 274.246 2.242 20 30 CEEDHN CC(C)(C)OCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000525921327 379678888 /nfs/dbraw/zinc/67/88/88/379678888.db2.gz OEULPDLHKNDMFJ-OAHLLOKOSA-N 0 3 299.374 2.172 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000527298978 379745205 /nfs/dbraw/zinc/74/52/05/379745205.db2.gz AWPRSCRKPHPVAC-FMKPAKJESA-N 0 3 289.423 2.449 20 30 CEEDHN C[C@@H]1C[C@H](C)N(CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528385930 379955431 /nfs/dbraw/zinc/95/54/31/379955431.db2.gz FVLLZMFXXULFGJ-KGLIPLIRSA-N 0 3 296.370 2.016 20 30 CEEDHN C[C@H]1CN(c2nccnc2C#N)CCN1CC1CC(C)(C)C1 ZINC000528403916 379959296 /nfs/dbraw/zinc/95/92/96/379959296.db2.gz LTBYYMJPOWAETA-ZDUSSCGKSA-N 0 3 299.422 2.295 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)C(C#N)(CC)CC ZINC000528518829 380003159 /nfs/dbraw/zinc/00/31/59/380003159.db2.gz IKJUWGXJRAFXCG-ZDUSSCGKSA-N 0 3 265.401 2.307 20 30 CEEDHN Cc1cc(F)ccc1CN(C)CCC(=O)N(C)CCC#N ZINC000487977740 380089713 /nfs/dbraw/zinc/08/97/13/380089713.db2.gz BWPMODRSNKVWKR-UHFFFAOYSA-N 0 3 291.370 2.328 20 30 CEEDHN CC(C#N)C(=O)NCC1CCc2ccccc2CC1 ZINC000529611980 380180126 /nfs/dbraw/zinc/18/01/26/380180126.db2.gz UGEKGULTSWTJQB-GFCCVEGCSA-N 0 3 256.349 2.457 20 30 CEEDHN CC1(C)OC[C@@H]2C[C@@]21NC(=O)C(C#N)CCc1ccccc1 ZINC000529790777 380186560 /nfs/dbraw/zinc/18/65/60/380186560.db2.gz CKNZZQJCXXIOBQ-RLFYNMQTSA-N 0 3 298.386 2.443 20 30 CEEDHN C#Cc1cccc(N(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC000268390322 190399406 /nfs/dbraw/zinc/39/94/06/190399406.db2.gz MALUXXWZTNCOTI-OAHLLOKOSA-N 0 3 258.365 2.217 20 30 CEEDHN N#CCC1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000541022903 380266140 /nfs/dbraw/zinc/26/61/40/380266140.db2.gz IKGNPWBXPMQDNM-HNNXBMFYSA-N 0 3 292.354 2.191 20 30 CEEDHN C[C@@H]1CCN(CCNC(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000491957128 380398334 /nfs/dbraw/zinc/39/83/34/380398334.db2.gz RPMSGUIZTJLAKC-VBROQKIQSA-N 0 3 283.375 2.029 20 30 CEEDHN CC1CC(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000545940909 380398706 /nfs/dbraw/zinc/39/87/06/380398706.db2.gz PZGHRDFBHMXFOV-LDZOIKDWSA-N 0 3 283.375 2.442 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000493140573 380816176 /nfs/dbraw/zinc/81/61/76/380816176.db2.gz YUEVVELCQJORNR-NEPJUHHUSA-N 0 3 295.383 2.004 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@](C)(OC)C1 ZINC000279206550 194332805 /nfs/dbraw/zinc/33/28/05/194332805.db2.gz BINLBTIDYCCYIL-GDBMZVCRSA-N 0 3 280.412 2.076 20 30 CEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)/C=C/CN(C)C ZINC000493716488 381142353 /nfs/dbraw/zinc/14/23/53/381142353.db2.gz CDJCNEVLZQSFIF-RCLKMUNOSA-N 0 3 272.392 2.408 20 30 CEEDHN C[C@@H](NCCCN1CCOC1=O)c1ccc(C#N)cc1F ZINC000495282154 381167985 /nfs/dbraw/zinc/16/79/85/381167985.db2.gz RXAUXGHKPBYVKY-LLVKDONJSA-N 0 3 291.326 2.190 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000496621794 381221387 /nfs/dbraw/zinc/22/13/87/381221387.db2.gz HKEZUISJFMUACH-MNOVXSKESA-N 0 3 295.383 2.050 20 30 CEEDHN C=CCN(C)C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496906130 381232618 /nfs/dbraw/zinc/23/26/18/381232618.db2.gz BUIUOVSAASHOIH-CQSZACIVSA-N 0 3 298.427 2.112 20 30 CEEDHN C[C@H]1C[C@@H](NCc2cnc3ccc(C#N)cn23)CS1 ZINC000334852114 207187773 /nfs/dbraw/zinc/18/77/73/207187773.db2.gz HKILGXQKLJJFGF-CMPLNLGQSA-N 0 3 272.377 2.190 20 30 CEEDHN CSc1ccc(F)cc1CNC(=O)C(C)C#N ZINC000347205399 532970194 /nfs/dbraw/zinc/97/01/94/532970194.db2.gz DGLUPYDFHMTFKD-QMMMGPOBSA-N 0 3 252.314 2.323 20 30 CEEDHN CN(C)CC1(NC(=O)/C=C/c2ccccc2C#N)CCC1 ZINC000281073939 195093764 /nfs/dbraw/zinc/09/37/64/195093764.db2.gz NAUBUKRQNICQNU-CMDGGOBGSA-N 0 3 283.375 2.172 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000335337052 208221523 /nfs/dbraw/zinc/22/15/23/208221523.db2.gz XFFWPJGXAXYKCF-CQSZACIVSA-N 0 3 289.379 2.310 20 30 CEEDHN C[C@@H](NCCC1(O)CCOCC1)c1ccc(C#N)cc1F ZINC000353871873 220380107 /nfs/dbraw/zinc/38/01/07/220380107.db2.gz UMHBSSLHYSSSCD-GFCCVEGCSA-N 0 3 292.354 2.280 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000281316306 195193138 /nfs/dbraw/zinc/19/31/38/195193138.db2.gz OXMBLVVCDALERH-GFCCVEGCSA-N 0 3 275.352 2.062 20 30 CEEDHN C=CCN1CC[C@@H](N[C@H](C)c2ccccc2C)C1=O ZINC000337190292 262430366 /nfs/dbraw/zinc/43/03/66/262430366.db2.gz SKEAAYRGGLYYPG-UKRRQHHQSA-N 0 3 258.365 2.433 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000347035146 533236316 /nfs/dbraw/zinc/23/63/16/533236316.db2.gz KJLICXCKFTWJLD-NWDGAFQWSA-N 0 3 285.347 2.150 20 30 CEEDHN CC(C)(CCC#N)CN1CCN(c2cccc(C#N)n2)CC1 ZINC000355441330 394455570 /nfs/dbraw/zinc/45/55/70/394455570.db2.gz JMVAVYKKDWXNDC-UHFFFAOYSA-N 0 3 297.406 2.405 20 30 CEEDHN N#CCC1CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000039153817 394499284 /nfs/dbraw/zinc/49/92/84/394499284.db2.gz HWFQRZXFYPTATF-AWEZNQCLSA-N 0 3 272.348 2.452 20 30 CEEDHN Cc1cc(SCCN(C)C)c(C#N)cc1[N+](=O)[O-] ZINC000413185677 394500379 /nfs/dbraw/zinc/50/03/79/394500379.db2.gz NNPXXYTZTPXFFK-UHFFFAOYSA-N 0 3 265.338 2.429 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000329484005 394566579 /nfs/dbraw/zinc/56/65/79/394566579.db2.gz QGUFESJYXCBSTM-CZUORRHYSA-N 0 3 297.402 2.454 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2conc2C2CC2)CCN1C ZINC000329517013 394569903 /nfs/dbraw/zinc/56/99/03/394569903.db2.gz MYXZFYLROFDLSQ-KOLCDFICSA-N 0 3 263.341 2.339 20 30 CEEDHN CC1(NC(=O)N[C@@H]2CCc3[nH]cnc3C2)CCCC1 ZINC000329547591 394571530 /nfs/dbraw/zinc/57/15/30/394571530.db2.gz HMLAEDRUKVUNGZ-SNVBAGLBSA-N 0 3 262.357 2.103 20 30 CEEDHN CC1(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)CCCC1 ZINC000329547591 394571532 /nfs/dbraw/zinc/57/15/32/394571532.db2.gz HMLAEDRUKVUNGZ-SNVBAGLBSA-N 0 3 262.357 2.103 20 30 CEEDHN CC(C)O[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCN2C)C1(C)C ZINC000329632955 394578625 /nfs/dbraw/zinc/57/86/25/394578625.db2.gz SCSIGCCDXGHBJW-HZSPNIEDSA-N 0 3 297.443 2.176 20 30 CEEDHN C[C@H]1C[C@H]1N1CCN(c2ncc(C#N)cc2F)C[C@@H](C)C1 ZINC000413297585 394520455 /nfs/dbraw/zinc/52/04/55/394520455.db2.gz FIHOIDFSQJIBRS-SLEUVZQESA-N 0 3 288.370 2.259 20 30 CEEDHN C[C@H]1C[C@H](Nc2nc3c(cc2C#N)CCC3)CCN1C ZINC000090795379 394655923 /nfs/dbraw/zinc/65/59/23/394655923.db2.gz IVDNLKRFSDCVGE-SMDDNHRTSA-N 0 3 270.380 2.337 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000265947258 394657147 /nfs/dbraw/zinc/65/71/47/394657147.db2.gz KAIZFAGLNZMRKA-OMAIJTBJSA-N 0 3 297.402 2.370 20 30 CEEDHN COC(=O)c1ccc(CNCC(C)(C)CCC#N)o1 ZINC000266195148 394660568 /nfs/dbraw/zinc/66/05/68/394660568.db2.gz JOZRHKPIDPKFIK-UHFFFAOYSA-N 0 3 264.325 2.486 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)CCN1C ZINC000329940935 394596267 /nfs/dbraw/zinc/59/62/67/394596267.db2.gz BWHFMSAUKOVIBF-MFKMUULPSA-N 0 3 289.379 2.452 20 30 CEEDHN O=C(NC[C@H]1CCCCN1C1CC1)[C@H]1CCC(=O)N1 ZINC000329954314 394598111 /nfs/dbraw/zinc/59/81/11/394598111.db2.gz NUGDOPUNLQZTJE-VXGBXAGGSA-N 0 3 265.357 2.079 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCSCC1)N1[C@H](C)CC[C@@H]1C ZINC000413637161 394607765 /nfs/dbraw/zinc/60/77/65/394607765.db2.gz YGIBQUVEFZYHEA-XQQFMLRXSA-N 0 3 295.452 2.153 20 30 CEEDHN C=CCNC(=O)CN1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000076387627 394617015 /nfs/dbraw/zinc/61/70/15/394617015.db2.gz MRPDFHHJTSYRAN-CABCVRRESA-N 0 3 272.392 2.475 20 30 CEEDHN C[C@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000263730938 394630494 /nfs/dbraw/zinc/63/04/94/394630494.db2.gz PVEGKEBPXZHOTD-SWLSCSKDSA-N 0 3 269.348 2.005 20 30 CEEDHN COc1ccc2c(c1)C[C@H](N[C@@H]1CC[C@H](C#N)C1)CO2 ZINC000333465869 394646317 /nfs/dbraw/zinc/64/63/17/394646317.db2.gz HJTHCBPRITVAGV-YUTCNCBUSA-N 0 3 272.348 2.281 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(CC#N)cc2)CN1C1CC1 ZINC000270396949 394733078 /nfs/dbraw/zinc/73/30/78/394733078.db2.gz UKTDSBALFBLMRN-IUODEOHRSA-N 0 3 283.375 2.108 20 30 CEEDHN N#CCc1ccc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000270437024 394733762 /nfs/dbraw/zinc/73/37/62/394733762.db2.gz QESZSYSMNPNDSO-KRWDZBQOSA-N 0 3 297.402 2.453 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000358971683 394735671 /nfs/dbraw/zinc/73/56/71/394735671.db2.gz FKBWQZQSOXHHIK-VXGBXAGGSA-N 0 3 253.390 2.123 20 30 CEEDHN CC(C#N)C(=O)NCC(C)(C)Oc1cc(F)cc(F)c1 ZINC000359092445 394741289 /nfs/dbraw/zinc/74/12/89/394741289.db2.gz GLFGMPFMVSODMQ-SECBINFHSA-N 0 3 282.290 2.398 20 30 CEEDHN C=CCOc1cccc(CN2C[C@H](C)C[C@H](O)C2)c1 ZINC000414528315 394746144 /nfs/dbraw/zinc/74/61/44/394746144.db2.gz TVRTZXFVJJTQAY-HIFRSBDPSA-N 0 3 261.365 2.454 20 30 CEEDHN C[C@H](NCCc1cn(C)cn1)c1ccc(C#N)cc1F ZINC000414129882 394711240 /nfs/dbraw/zinc/71/12/40/394711240.db2.gz VYJRBYMTYPQFKA-NSHDSACASA-N 0 3 272.327 2.324 20 30 CEEDHN CN(CCN1CCCC1)C(=O)CCc1ccc(C#N)cc1 ZINC000103118730 394712421 /nfs/dbraw/zinc/71/24/21/394712421.db2.gz FKDBLWXAOHVBQP-UHFFFAOYSA-N 0 3 285.391 2.045 20 30 CEEDHN CO[C@@]1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CCOC1 ZINC000359416522 394752029 /nfs/dbraw/zinc/75/20/29/394752029.db2.gz IUOSPJYHYUNFPP-XHDPSFHLSA-N 0 3 278.327 2.153 20 30 CEEDHN C=CCOCC(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000359790177 394776585 /nfs/dbraw/zinc/77/65/85/394776585.db2.gz IYBSNMNFXICWON-UHFFFAOYSA-N 0 3 294.439 2.446 20 30 CEEDHN C[C@@H](CNC(=O)CCCC#N)N1CCCC[C@@H]1C ZINC000360015592 394784685 /nfs/dbraw/zinc/78/46/85/394784685.db2.gz JUNYEVGTSBIVLI-STQMWFEESA-N 0 3 251.374 2.059 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(c2cccc(OC)c2)CC1 ZINC000121106484 394791516 /nfs/dbraw/zinc/79/15/16/394791516.db2.gz PFRFRZKFWJCFMV-INIZCTEOSA-N 0 3 290.407 2.144 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1nccn1-c1ccccc1 ZINC000360259098 394795185 /nfs/dbraw/zinc/79/51/85/394795185.db2.gz YIHXEVOBPLGISJ-VXGBXAGGSA-N 0 3 268.320 2.209 20 30 CEEDHN C=CCCOCCNC(=O)NCC(C)(C)N1CCCCC1 ZINC000121659446 394801418 /nfs/dbraw/zinc/80/14/18/394801418.db2.gz HCELBZBOAYTDRI-UHFFFAOYSA-N 0 3 297.443 2.143 20 30 CEEDHN CC#CCCNCc1cn(-c2ccncc2)nc1C ZINC000360957281 394811255 /nfs/dbraw/zinc/81/12/55/394811255.db2.gz LDGFCYCJGIDJFJ-UHFFFAOYSA-N 0 3 254.337 2.079 20 30 CEEDHN CCCCO[C@@H]1C[C@@H](NC(=O)C(C)C#N)C1(C)C ZINC000361092409 394815582 /nfs/dbraw/zinc/81/55/82/394815582.db2.gz HYOQYUAJMVZWIQ-QJPTWQEYSA-N 0 3 252.358 2.246 20 30 CEEDHN CN1CC[C@H]2CCN(c3snc(Cl)c3C#N)C[C@@H]21 ZINC000364298883 394892712 /nfs/dbraw/zinc/89/27/12/394892712.db2.gz CLQRTAWEBWOXNC-WPRPVWTQSA-N 0 3 282.800 2.199 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CCCN(C2CC2)CC1)OCC ZINC000366814448 394953358 /nfs/dbraw/zinc/95/33/58/394953358.db2.gz LWXOHVDURLBZAH-HNNXBMFYSA-N 0 3 280.412 2.054 20 30 CEEDHN C[C@@H](C#N)CN(C(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC000338374878 394917900 /nfs/dbraw/zinc/91/79/00/394917900.db2.gz RAWAXKWOEONVPX-UONOGXRCSA-N 0 3 277.412 2.402 20 30 CEEDHN CC#CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000283064533 394928687 /nfs/dbraw/zinc/92/86/87/394928687.db2.gz CONMRHRAZOKXIE-HOCLYGCPSA-N 0 3 270.376 2.037 20 30 CEEDHN CCOC(=O)[C@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC000283252653 394931858 /nfs/dbraw/zinc/93/18/58/394931858.db2.gz VMPMEUOCGXNWEP-ZIAGYGMSSA-N 0 3 259.349 2.215 20 30 CEEDHN CN(CCCOc1ccccc1)CCOCCC#N ZINC000338892582 394932595 /nfs/dbraw/zinc/93/25/95/394932595.db2.gz PKWZFFGQRACSST-UHFFFAOYSA-N 0 3 262.353 2.318 20 30 CEEDHN N#CCCOCCN1CC[C@H](Nc2ccccc2)C1 ZINC000339031941 394937209 /nfs/dbraw/zinc/93/72/09/394937209.db2.gz TWUSGIAOLQEQMN-HNNXBMFYSA-N 0 3 259.353 2.103 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(C)CC1CCN(C)CC1)OCC ZINC000339345309 394956510 /nfs/dbraw/zinc/95/65/10/394956510.db2.gz GJHLDPZHFDMFPA-HNNXBMFYSA-N 0 3 282.428 2.158 20 30 CEEDHN COc1ccc([C@H](C)NCCOCCC#N)cc1F ZINC000339064081 394940898 /nfs/dbraw/zinc/94/08/98/394940898.db2.gz PKNBQQMOTFSMOE-NSHDSACASA-N 0 3 266.316 2.415 20 30 CEEDHN C=CCOCCN(Cc1ccccc1)[C@@H](CC)CO ZINC000339085336 394942119 /nfs/dbraw/zinc/94/21/19/394942119.db2.gz UMWQFQYQPZZSBV-INIZCTEOSA-N 0 3 263.381 2.462 20 30 CEEDHN C=CCOCCN1CCc2cccc(OC)c2CC1 ZINC000339133781 394944958 /nfs/dbraw/zinc/94/49/58/394944958.db2.gz PRBLGADTCVIRAQ-UHFFFAOYSA-N 0 3 261.365 2.298 20 30 CEEDHN N#Cc1cccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)c1 ZINC000133237336 394946885 /nfs/dbraw/zinc/94/68/85/394946885.db2.gz OIGDYMJDNWNPPH-INIZCTEOSA-N 0 3 299.374 2.140 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@](O)(C(F)(F)F)CC2)C1 ZINC000339193786 394950537 /nfs/dbraw/zinc/95/05/37/394950537.db2.gz KQZUUOUGVVNGQR-WOPDTQHZSA-N 0 3 276.302 2.458 20 30 CEEDHN C#CCCN(C)CCc1nc(-c2ccccc2)no1 ZINC000285977387 394993948 /nfs/dbraw/zinc/99/39/48/394993948.db2.gz NWEBEMQOMGNHEH-UHFFFAOYSA-N 0 3 255.321 2.234 20 30 CEEDHN C=CCC[C@H](NCC[C@H](O)COC)c1ccco1 ZINC000286018030 395000629 /nfs/dbraw/zinc/00/06/29/395000629.db2.gz INOYSWRNZNLHQZ-STQMWFEESA-N 0 3 253.342 2.274 20 30 CEEDHN CC#CCCN1CCC(C(=O)NCCCCC)CC1 ZINC000155099175 395026139 /nfs/dbraw/zinc/02/61/39/395026139.db2.gz LNSHFWTVMRAJJR-UHFFFAOYSA-N 0 3 264.413 2.418 20 30 CEEDHN Cc1nsc(N2CC[C@@H](N3CCCCC3)C2)c1C#N ZINC000286648820 395026318 /nfs/dbraw/zinc/02/63/18/395026318.db2.gz DNKJMIDPRORBMG-GFCCVEGCSA-N 0 3 276.409 2.388 20 30 CEEDHN C=CCCOCCNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000339888727 394973430 /nfs/dbraw/zinc/97/34/30/394973430.db2.gz DEYPLOGBOWUNIZ-HNNXBMFYSA-N 0 3 282.428 2.206 20 30 CEEDHN Cc1cc(NC[C@@H](c2ccccc2)N(C)C)c(C#N)cn1 ZINC000425203564 395051876 /nfs/dbraw/zinc/05/18/76/395051876.db2.gz RKMHDOYTKXSEOL-KRWDZBQOSA-N 0 3 280.375 2.398 20 30 CEEDHN C=CCCCCCN1CCc2nn(CC)c(=O)cc2C1 ZINC000373234565 395057867 /nfs/dbraw/zinc/05/78/67/395057867.db2.gz WLIPCNXEMRTXIK-UHFFFAOYSA-N 0 3 275.396 2.368 20 30 CEEDHN C=CCSCCNCc1cnc(C2OCCO2)s1 ZINC000290367008 395100982 /nfs/dbraw/zinc/10/09/82/395100982.db2.gz NCQPZCMEZLNFIC-UHFFFAOYSA-N 0 3 286.422 2.197 20 30 CEEDHN C#Cc1ccc(CN2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000289027972 395068091 /nfs/dbraw/zinc/06/80/91/395068091.db2.gz GTGLVWCPQZLVIO-UHFFFAOYSA-N 0 3 282.387 2.159 20 30 CEEDHN CC(C#N)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345655545 395071615 /nfs/dbraw/zinc/07/16/15/395071615.db2.gz JQTXULBJPXIGLF-TVQRCGJNSA-N 0 3 291.332 2.328 20 30 CEEDHN CC[C@H](NC(=O)C(C)C#N)c1ccc2c(c1)OCCO2 ZINC000345767181 395076439 /nfs/dbraw/zinc/07/64/39/395076439.db2.gz QHFKIQUHKSJWPT-PWSUYJOCSA-N 0 3 274.320 2.185 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCO[C@@H]2C(=C)C)CC1 ZINC000346000488 395084953 /nfs/dbraw/zinc/08/49/53/395084953.db2.gz OQCLZIZRVOOEJV-JKSUJKDBSA-N 0 3 292.423 2.124 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000289784853 395086236 /nfs/dbraw/zinc/08/62/36/395086236.db2.gz MWUKOTJXHMLXJR-JSGCOSHPSA-N 0 3 257.337 2.070 20 30 CEEDHN CCC1(C)CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 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C=C(C)CN1CCC(NC(=O)C2=C(C)OCCS2)CC1 ZINC000287539105 395043255 /nfs/dbraw/zinc/04/32/55/395043255.db2.gz JTJNPKSDNWKCAR-UHFFFAOYSA-N 0 3 296.436 2.138 20 30 CEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1cccnc1C#N ZINC000291164330 395122728 /nfs/dbraw/zinc/12/27/28/395122728.db2.gz QIHXJPHWHDVHJH-OLZOCXBDSA-N 0 3 256.353 2.016 20 30 CEEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ncon1 ZINC000346823090 395108144 /nfs/dbraw/zinc/10/81/44/395108144.db2.gz BSDWSPNKVDKFQO-AAEUAGOBSA-N 0 3 284.319 2.019 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ncon1 ZINC000346823093 395108669 /nfs/dbraw/zinc/10/86/69/395108669.db2.gz BSDWSPNKVDKFQO-YPMHNXCESA-N 0 3 284.319 2.019 20 30 CEEDHN CCCCCN(CC(=O)NC1(C#N)CCC1)C(C)C ZINC000346832841 395109741 /nfs/dbraw/zinc/10/97/41/395109741.db2.gz WLXKUKDHHKOKTC-UHFFFAOYSA-N 0 3 265.401 2.449 20 30 CEEDHN C[C@@H]1C[C@H]1N1CCN(Cc2ccc(C#N)o2)C[C@@H](C)C1 ZINC000430122905 395162286 /nfs/dbraw/zinc/16/22/86/395162286.db2.gz ISAKANPXUKAGII-XJKCOSOUSA-N 0 3 273.380 2.313 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H](C)[C@H](O)C2)cc1 ZINC000349364934 395167058 /nfs/dbraw/zinc/16/70/58/395167058.db2.gz HGMCBRNDPVGAER-CZUORRHYSA-N 0 3 261.365 2.454 20 30 CEEDHN CCN(C(=O)C(C)C#N)[C@H](COC)Cc1ccccc1 ZINC000349563275 395170988 /nfs/dbraw/zinc/17/09/88/395170988.db2.gz FZUPHKPFTPIHBY-HIFRSBDPSA-N 0 3 274.364 2.252 20 30 CEEDHN C[C@@H]1C[C@H](Nc2ncc3c(c2C#N)CCC3)CN1C1CC1 ZINC000515298678 395174580 /nfs/dbraw/zinc/17/45/80/395174580.db2.gz BMCBCXKEZVIUKA-YPMHNXCESA-N 0 3 282.391 2.479 20 30 CEEDHN C=C(C)CN(C)CCc1c(C)nc2sccn2c1=O ZINC000351759277 395232130 /nfs/dbraw/zinc/23/21/30/395232130.db2.gz RTRHJIFZIMGMOY-UHFFFAOYSA-N 0 3 277.393 2.115 20 30 CEEDHN C#CCNC(=O)CCN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000293482390 395235617 /nfs/dbraw/zinc/23/56/17/395235617.db2.gz MLRCJEPXDYJISP-LLVKDONJSA-N 0 3 280.318 2.097 20 30 CEEDHN Cc1c(Cl)cnc(NCC2(N(C)C)CC2)c1C#N ZINC000419012128 395246694 /nfs/dbraw/zinc/24/66/94/395246694.db2.gz VKGSDPDATCLYGO-UHFFFAOYSA-N 0 3 264.760 2.421 20 30 CEEDHN CO[C@](C)([C@@H](C)NCc1ccc(C#N)cn1)C1CC1 ZINC000519605502 395197927 /nfs/dbraw/zinc/19/79/27/395197927.db2.gz JOIAXKFKCQWUEU-IAQYHMDHSA-N 0 3 259.353 2.246 20 30 CEEDHN CN(C)[C@@H](CNC[C@@H](C#N)CCC#N)c1ccc(F)cc1 ZINC000519636987 395199782 /nfs/dbraw/zinc/19/97/82/395199782.db2.gz IMRIIKXRCDUHDZ-CJNGLKHVSA-N 0 3 288.370 2.462 20 30 CEEDHN Cn1cc(CN2CCOC[C@H](C3CCC3)C2)cc1C#N ZINC000292817879 395207208 /nfs/dbraw/zinc/20/72/08/395207208.db2.gz POSKJNQPXGQPBZ-OAHLLOKOSA-N 0 3 273.380 2.145 20 30 CEEDHN C#CCNC(=O)CCN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000292920999 395211056 /nfs/dbraw/zinc/21/10/56/395211056.db2.gz YBMNMMVWDPKUCE-UONOGXRCSA-N 0 3 274.364 2.192 20 30 CEEDHN COc1ccc(CCNCc2ccc(C#N)cc2F)cn1 ZINC000527792980 395280844 /nfs/dbraw/zinc/28/08/44/395280844.db2.gz FFQFIKHTEGZXIS-UHFFFAOYSA-N 0 3 285.322 2.433 20 30 CEEDHN N#Cc1cncc(NC[C@@H]2CCN2C2CCCCC2)n1 ZINC000528119048 395285511 /nfs/dbraw/zinc/28/55/11/395285511.db2.gz TZESLGIXSXFLQV-AWEZNQCLSA-N 0 3 271.368 2.167 20 30 CEEDHN COC(=O)[C@]1(C)CCN(Cc2ccc(C#N)cc2C)C1 ZINC000186257488 395288899 /nfs/dbraw/zinc/28/88/99/395288899.db2.gz CRZWQQTULIJMAT-MRXNPFEDSA-N 0 3 272.348 2.252 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCN(C2CC2)C[C@H](C)C1 ZINC000296741397 395326411 /nfs/dbraw/zinc/32/64/11/395326411.db2.gz OWLJLLWUFNYPAP-CQSZACIVSA-N 0 3 299.418 2.483 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](C)C(C)(C)C1 ZINC000354024117 395313017 /nfs/dbraw/zinc/31/30/17/395313017.db2.gz KROSWQLXJSZVNZ-QWHCGFSZSA-N 0 3 265.401 2.115 20 30 CEEDHN C#Cc1ccc(CNC(=O)[C@H](CC)N(CC)CC)cc1 ZINC000296448491 395320453 /nfs/dbraw/zinc/32/04/53/395320453.db2.gz OCPJNBIGGWEFKR-INIZCTEOSA-N 0 3 272.392 2.405 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000352502697 395260345 /nfs/dbraw/zinc/26/03/45/395260345.db2.gz XQRWWHZTNHYDQC-YQQAZPJKSA-N 0 3 296.455 2.452 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000352502698 395260651 /nfs/dbraw/zinc/26/06/51/395260651.db2.gz XQRWWHZTNHYDQC-ZMSDIMECSA-N 0 3 296.455 2.452 20 30 CEEDHN C=CCOCCN[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000294138423 395267355 /nfs/dbraw/zinc/26/73/55/395267355.db2.gz ODWNGTJJFYSPLE-QGZVFWFLSA-N 0 3 298.386 2.382 20 30 CEEDHN CC#CCN(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000298479713 395360888 /nfs/dbraw/zinc/36/08/88/395360888.db2.gz STZWHGNAJZUJEP-UHFFFAOYSA-N 0 3 289.766 2.495 20 30 CEEDHN C[C@@H]1[C@H](N[C@@H]2CC[C@H](C#N)C2)CC(=O)N1Cc1ccccc1 ZINC000442865730 395396344 /nfs/dbraw/zinc/39/63/44/395396344.db2.gz IYVAHDNPQKCREV-XLNGHYISSA-N 0 3 297.402 2.458 20 30 CEEDHN C=CCOCCCN1CCC(c2ccncn2)CC1 ZINC000411836761 395338709 /nfs/dbraw/zinc/33/87/09/395338709.db2.gz WRVODCPBJSNMSG-UHFFFAOYSA-N 0 3 261.369 2.249 20 30 CEEDHN OC[C@H](NCC#Cc1ccccc1Cl)[C@H]1CCCOC1 ZINC000411988980 395345241 /nfs/dbraw/zinc/34/52/41/395345241.db2.gz HHMLAOTZMDUFFX-HOCLYGCPSA-N 0 3 293.794 2.069 20 30 CEEDHN COc1cc(CN2CCN(C)CC[C@@H]2C)ccc1C#N ZINC000442887250 395397251 /nfs/dbraw/zinc/39/72/51/395397251.db2.gz XCOQCBGDKKGWTN-ZDUSSCGKSA-N 0 3 273.380 2.093 20 30 CEEDHN COc1cc(CN(CCCCO)C2CC2)ccc1C#N ZINC000442881643 395397289 /nfs/dbraw/zinc/39/72/89/395397289.db2.gz BJBDZXWIYGRRPS-UHFFFAOYSA-N 0 3 274.364 2.304 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)c(C#N)n2)CCN1C ZINC000443520189 395400663 /nfs/dbraw/zinc/40/06/63/395400663.db2.gz YVUXKQULIISSTJ-ZJUUUORDSA-N 0 3 298.312 2.289 20 30 CEEDHN CC[C@H](C)NC(=O)CCNCc1ccc(C#N)c(C)c1 ZINC000443955137 395406478 /nfs/dbraw/zinc/40/64/78/395406478.db2.gz CADPQNHESCLZKR-ZDUSSCGKSA-N 0 3 273.380 2.261 20 30 CEEDHN N#Cc1cccc(C(=O)NC[C@H]2CCN2C2CCCCC2)n1 ZINC000529716559 395436584 /nfs/dbraw/zinc/43/65/84/395436584.db2.gz NNGCRPWSWAFOOR-OAHLLOKOSA-N 0 3 298.390 2.090 20 30 CEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCCN(CC)C2)cc1 ZINC000194654902 395445260 /nfs/dbraw/zinc/44/52/60/395445260.db2.gz IXFDDUBGBAOTHB-OAHLLOKOSA-N 0 3 288.391 2.466 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000448593551 395521398 /nfs/dbraw/zinc/52/13/98/395521398.db2.gz BORXMZYAXDKVFV-UHFFFAOYSA-N 0 3 296.374 2.186 20 30 CEEDHN COc1ccc(C[C@H](C)CNCCC#N)cc1OC ZINC000569803416 395580729 /nfs/dbraw/zinc/58/07/29/395580729.db2.gz SXTNJECCGXHVAB-LBPRGKRZSA-N 0 3 262.353 2.386 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCN(C2CC2)C[C@@H](C)C1 ZINC000451077040 395583162 /nfs/dbraw/zinc/58/31/62/395583162.db2.gz ABOJEKVEAZQLCK-AWEZNQCLSA-N 0 3 299.418 2.483 20 30 CEEDHN C[C@H]1CCCN(CCNc2ncc3c(c2C#N)CCC3)C1 ZINC000574394485 395629119 /nfs/dbraw/zinc/62/91/19/395629119.db2.gz GIXYGVVCBNYXBS-ZDUSSCGKSA-N 0 3 284.407 2.008 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCCN(C)[C@@H]2C)c1 ZINC000455953079 395632100 /nfs/dbraw/zinc/63/21/00/395632100.db2.gz JRDMCLDKUBAQLY-IUODEOHRSA-N 0 3 286.379 2.471 20 30 CEEDHN N#Cc1ccccc1OCCN1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459727894 395666638 /nfs/dbraw/zinc/66/66/38/395666638.db2.gz RIKXDPXQKDYKRB-HOTGVXAUSA-N 0 3 298.386 2.438 20 30 CEEDHN CO[C@H]1C[C@H](NCC(=O)Nc2cccc(C#N)c2)C12CCC2 ZINC000459739192 395666688 /nfs/dbraw/zinc/66/66/88/395666688.db2.gz ATTLZUJLCQRXNU-GJZGRUSLSA-N 0 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ZINC000662857146 414776794 /nfs/dbraw/zinc/77/67/94/414776794.db2.gz FVQVTZBSFMKSLJ-MJBXVCDLSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCCNC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000660341871 414780735 /nfs/dbraw/zinc/78/07/35/414780735.db2.gz HAQVHAYENOEGCI-CHWSQXEVSA-N 0 3 253.390 2.125 20 30 CEEDHN C=C(C)[C@H](CO)N1C[C@H](C)OC2(CCCCC2)C1 ZINC000653903757 414783456 /nfs/dbraw/zinc/78/34/56/414783456.db2.gz ISWAMFWBFAQVNK-KBPBESRZSA-N 0 3 253.386 2.347 20 30 CEEDHN C=CCCn1cc(CNC[C@@H](C)N2CCC[C@H](C)C2)nn1 ZINC000657310560 414852969 /nfs/dbraw/zinc/85/29/69/414852969.db2.gz MWUPYOUDMOXDSG-LSDHHAIUSA-N 0 3 291.443 2.064 20 30 CEEDHN CCC#C[C@H](C)N[C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000660525771 414859204 /nfs/dbraw/zinc/85/92/04/414859204.db2.gz OTUUITVQQTULHU-DCAQKATOSA-N 0 3 251.292 2.326 20 30 CEEDHN C=CCCn1cc(CNC[C@]2(C)CCO[C@@H]2C2CC2)nn1 ZINC000657436630 414936186 /nfs/dbraw/zinc/93/61/86/414936186.db2.gz FDBYEQFKSJEVDA-CVEARBPZSA-N 0 3 290.411 2.149 20 30 CEEDHN C=CCCn1cc(CNCC(C)(C)CCOC)nn1 ZINC000657435489 414936968 /nfs/dbraw/zinc/93/69/68/414936968.db2.gz PSBULDORYHKMPF-UHFFFAOYSA-N 0 3 266.389 2.007 20 30 CEEDHN C=CCCn1cc(CNC[C@@H]2CCOC3(CCC3)C2)nn1 ZINC000657478829 414960053 /nfs/dbraw/zinc/96/00/53/414960053.db2.gz GBFMKXGVLIBVTO-CQSZACIVSA-N 0 3 290.411 2.293 20 30 CEEDHN C=CCOCCCNCc1c(C)nn(CC)c1C ZINC000657657737 415037639 /nfs/dbraw/zinc/03/76/39/415037639.db2.gz ALYBJYNZWIHVQH-UHFFFAOYSA-N 0 3 251.374 2.202 20 30 CEEDHN C=CCOCCCNCc1nc2c(s1)CCC2 ZINC000657658263 415038070 /nfs/dbraw/zinc/03/80/70/415038070.db2.gz QUDLUVIZCMHLGM-UHFFFAOYSA-N 0 3 252.383 2.314 20 30 CEEDHN C=CCOCCCNCc1nccn1CC(F)(F)F ZINC000657658203 415038668 /nfs/dbraw/zinc/03/86/68/415038668.db2.gz PHAJUVIQYWNGKX-UHFFFAOYSA-N 0 3 277.290 2.128 20 30 CEEDHN C=CCN(C[C@H](O)COc1ccccc1F)[C@@H](C)COC ZINC000661249055 415157654 /nfs/dbraw/zinc/15/76/54/415157654.db2.gz YNMMLYHWYANPIL-KBPBESRZSA-N 0 3 297.370 2.088 20 30 CEEDHN CC(C#N)C(=O)NCc1ccccc1Br ZINC000044824208 175259131 /nfs/dbraw/zinc/25/91/31/175259131.db2.gz NOSMNEIJCJKWDN-MRVPVSSYSA-N 0 3 267.126 2.225 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CSC)C(C)C ZINC000046049439 175390784 /nfs/dbraw/zinc/39/07/84/175390784.db2.gz JKJYFVBDWVHYSK-ZDUSSCGKSA-N 0 3 270.442 2.164 20 30 CEEDHN C=CCCCN(C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661400574 415241369 /nfs/dbraw/zinc/24/13/69/415241369.db2.gz QQIXLEMOWFVNBG-ZDUSSCGKSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCCCN(C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661400571 415243382 /nfs/dbraw/zinc/24/33/82/415243382.db2.gz QQIXLEMOWFVNBG-CYBMUJFWSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCOCCCN[C@H](C)c1cc2n(n1)CCCC2 ZINC000658207075 415256243 /nfs/dbraw/zinc/25/62/43/415256243.db2.gz SDANFOFIZZKTLK-CYBMUJFWSA-N 0 3 263.385 2.463 20 30 CEEDHN C=CCC[C@@H](NC[C@@]1(OCCO)CCOC1)c1ccco1 ZINC000658145222 415231952 /nfs/dbraw/zinc/23/19/52/415231952.db2.gz QHQNFRSFXHCERX-ZBFHGGJFSA-N 0 3 295.379 2.045 20 30 CEEDHN C=CCCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659042023 415396659 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415514252 /nfs/dbraw/zinc/51/42/52/415514252.db2.gz YCLWPEFLUPINDU-AWEZNQCLSA-N 0 3 298.390 2.027 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CSCCN1 ZINC000659329793 415519622 /nfs/dbraw/zinc/51/96/22/415519622.db2.gz RRGMXZCBPCLPHK-MGPQQGTHSA-N 0 3 282.453 2.333 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NC(C)(C)C ZINC000662080698 415614912 /nfs/dbraw/zinc/61/49/12/415614912.db2.gz LUXZXQHMHCWAET-RWMBFGLXSA-N 0 3 250.386 2.473 20 30 CEEDHN Cc1cccnc1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000071340096 176129703 /nfs/dbraw/zinc/12/97/03/176129703.db2.gz GIDCSNQIQWIWRU-INIZCTEOSA-N 0 3 267.332 2.085 20 30 CEEDHN C=CCCCN(C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000076738258 177078058 /nfs/dbraw/zinc/07/80/58/177078058.db2.gz LZCMKZSYAPEBAG-UHFFFAOYSA-N 0 3 296.436 2.335 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](OC)C1 ZINC000077279166 177248214 /nfs/dbraw/zinc/24/82/14/177248214.db2.gz SWCHKCPUCSFIJB-AWEZNQCLSA-N 0 3 290.363 2.056 20 30 CEEDHN COCCOc1ccc(CNCCCC#N)cc1OC ZINC000344359815 225042176 /nfs/dbraw/zinc/04/21/76/225042176.db2.gz QIOCUAWQBWQHQL-UHFFFAOYSA-N 0 3 278.352 2.114 20 30 CEEDHN COc1cc(CN2CCN(C)[C@H](C)[C@@H]2C)ccc1C#N ZINC000442842632 225060576 /nfs/dbraw/zinc/06/05/76/225060576.db2.gz QTSDIXHVNBRUIF-OLZOCXBDSA-N 0 3 273.380 2.091 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NCCN1CCCC(C)(C)C1 ZINC000355549653 287382707 /nfs/dbraw/zinc/38/27/07/287382707.db2.gz UWPICHSZMCOGID-HNNXBMFYSA-N 0 3 265.401 2.164 20 30 CEEDHN CC(C#N)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000347136163 226040518 /nfs/dbraw/zinc/04/05/18/226040518.db2.gz OKKAWKOFYZAOLD-LBPRGKRZSA-N 0 3 283.331 2.088 20 30 CEEDHN N#CC(C(=O)c1cc[nH]c1C1CC1)c1ccncn1 ZINC000347855067 226379311 /nfs/dbraw/zinc/37/93/11/226379311.db2.gz CDTPKAWNIIMURK-LLVKDONJSA-N 0 3 252.277 2.172 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](C)CC2)CC1 ZINC000171738562 335076701 /nfs/dbraw/zinc/07/67/01/335076701.db2.gz OSXJUWGVWWTUTE-CQSZACIVSA-N 0 3 279.428 2.468 20 30 CEEDHN CC(C#N)C(=O)N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000336561380 227118538 /nfs/dbraw/zinc/11/85/38/227118538.db2.gz ISIZEWZUYVMBRT-NEPJUHHUSA-N 0 3 277.393 2.113 20 30 CEEDHN CCn1ncnc1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC000330042294 228025062 /nfs/dbraw/zinc/02/50/62/228025062.db2.gz DNYUUVRWXVSMHA-GFCCVEGCSA-N 0 3 279.388 2.019 20 30 CEEDHN C=CCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000665947231 419487160 /nfs/dbraw/zinc/48/71/60/419487160.db2.gz GOJZMDIPCJEFLW-UHFFFAOYSA-N 0 3 279.428 2.470 20 30 CEEDHN C=CCCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000665947528 419488387 /nfs/dbraw/zinc/48/83/87/419488387.db2.gz PFOYTWVDKCPDNV-UHFFFAOYSA-N 0 3 293.386 2.475 20 30 CEEDHN N#CC1(C(=O)N2CCCN(C3CCCC3)CC2)CCC1 ZINC000334143485 260141094 /nfs/dbraw/zinc/14/10/94/260141094.db2.gz QYXWVONXAQFRBX-UHFFFAOYSA-N 0 3 275.396 2.157 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N(C)CCCc1ccccc1 ZINC000298788036 260162502 /nfs/dbraw/zinc/16/25/02/260162502.db2.gz XUPNGSBUZSPHDS-CQSZACIVSA-N 0 3 260.381 2.242 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](CC)c1ccccc1 ZINC000299339819 260182631 /nfs/dbraw/zinc/18/26/31/260182631.db2.gz ACHUWRKTZFCTKW-OCCSQVGLSA-N 0 3 289.379 2.128 20 30 CEEDHN CCOCCNCc1ccc(N(C)CCC#N)cc1 ZINC000069710015 260262479 /nfs/dbraw/zinc/26/24/79/260262479.db2.gz JPJVGPMAGPIGTN-UHFFFAOYSA-N 0 3 261.369 2.163 20 30 CEEDHN N#CCCCCN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444729734 261138529 /nfs/dbraw/zinc/13/85/29/261138529.db2.gz HLKIUNVAXDUCLE-WDEREUQCSA-N 0 3 264.291 2.315 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@H](C(C)(C)C)C1 ZINC000361552934 261332011 /nfs/dbraw/zinc/33/20/11/261332011.db2.gz NMBYTDQXZOXYDB-QWHCGFSZSA-N 0 3 252.402 2.435 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000460871582 261953407 /nfs/dbraw/zinc/95/34/07/261953407.db2.gz CYYREQSHAAHHMG-YUTCNCBUSA-N 0 3 258.321 2.183 20 30 CEEDHN CNC(=O)c1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185712776 262068052 /nfs/dbraw/zinc/06/80/52/262068052.db2.gz DRIDGTLYJAWNHH-IUODEOHRSA-N 0 3 271.364 2.218 20 30 CEEDHN C=C(CC)CNC[C@H](O)COc1cccc(C(C)=O)c1 ZINC000521030825 262193769 /nfs/dbraw/zinc/19/37/69/262193769.db2.gz CFYWAKCKOURVCF-HNNXBMFYSA-N 0 3 277.364 2.185 20 30 CEEDHN COc1ccccc1[C@@H](O)CN[C@@H]1CCC[C@H](C#N)C1 ZINC000192712330 262209588 /nfs/dbraw/zinc/20/95/88/262209588.db2.gz ZBPDWVDHTUXOJX-GUTXKFCHSA-N 0 3 274.364 2.401 20 30 CEEDHN N#CCN(C(=O)C1CCN(C2CC2)CC1)c1ccccc1 ZINC000195390844 262250160 /nfs/dbraw/zinc/25/01/60/262250160.db2.gz RUVSEUQAHGBOCO-UHFFFAOYSA-N 0 3 283.375 2.418 20 30 CEEDHN C=CCCCN(C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000365218613 262352100 /nfs/dbraw/zinc/35/21/00/262352100.db2.gz WYIYLOOFEXDFQZ-UHFFFAOYSA-N 0 3 294.439 2.446 20 30 CEEDHN C=CCNC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000365279229 262357481 /nfs/dbraw/zinc/35/74/81/262357481.db2.gz OQVMEJATDXYMOY-YPMHNXCESA-N 0 3 279.409 2.226 20 30 CEEDHN CC(C#N)C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000354084399 262374829 /nfs/dbraw/zinc/37/48/29/262374829.db2.gz VJVUHVPUOKCSPD-JTQLQIEISA-N 0 3 268.320 2.147 20 30 CEEDHN C[C@@H](CNC(=O)NCCCC#N)N(C)Cc1ccccc1 ZINC000273427999 263016844 /nfs/dbraw/zinc/01/68/44/263016844.db2.gz APCNXDWYQVLZQR-AWEZNQCLSA-N 0 3 288.395 2.110 20 30 CEEDHN C=CCCN(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000276481688 263036925 /nfs/dbraw/zinc/03/69/25/263036925.db2.gz SYIHKCZUOOVJFB-UHFFFAOYSA-N 0 3 263.385 2.179 20 30 CEEDHN N#CCC[C@@H](NC1CCN(C=O)CC1)c1ccccc1 ZINC000278722275 263050102 /nfs/dbraw/zinc/05/01/02/263050102.db2.gz MFYXJCGJYHLVOU-MRXNPFEDSA-N 0 3 271.364 2.242 20 30 CEEDHN CC1(C)C[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279412021 263055224 /nfs/dbraw/zinc/05/52/24/263055224.db2.gz CAQQFFLGFFKSBE-UONOGXRCSA-N 0 3 267.332 2.155 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCCC2)cc1 ZINC000280106911 263058919 /nfs/dbraw/zinc/05/89/19/263058919.db2.gz XPCKYMCUWHUBEN-OAHLLOKOSA-N 0 3 267.332 2.253 20 30 CEEDHN CO[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000280579752 263063106 /nfs/dbraw/zinc/06/31/06/263063106.db2.gz VZKJKNMEKMDNKV-JKSUJKDBSA-N 0 3 299.374 2.028 20 30 CEEDHN N#CCCCCN1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000280722777 263063891 /nfs/dbraw/zinc/06/38/91/263063891.db2.gz FXZOHZIFKYFXTI-MSOLQXFVSA-N 0 3 299.418 2.265 20 30 CEEDHN C=C[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000340097361 263069534 /nfs/dbraw/zinc/06/95/34/263069534.db2.gz LCNDVDSIXGDFCH-CFVMTHIKSA-N 0 3 273.380 2.306 20 30 CEEDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc(OCC#N)cc1 ZINC000283052202 263080616 /nfs/dbraw/zinc/08/06/16/263080616.db2.gz JAGMGNINUNILRX-OLZOCXBDSA-N 0 3 290.363 2.266 20 30 CEEDHN C[C@@H](NCCCC#N)c1ccccc1-n1ccnn1 ZINC000285992465 263096813 /nfs/dbraw/zinc/09/68/13/263096813.db2.gz HCWHSFCIVKBEPR-GFCCVEGCSA-N 0 3 255.325 2.222 20 30 CEEDHN C[C@@H](NCCCC#N)c1cccc(-n2ccnn2)c1 ZINC000287802964 263102749 /nfs/dbraw/zinc/10/27/49/263102749.db2.gz UHCBWPZWBANRCP-GFCCVEGCSA-N 0 3 255.325 2.222 20 30 CEEDHN C#C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)(C)C ZINC000288378678 263104003 /nfs/dbraw/zinc/10/40/03/263104003.db2.gz VIEPZZZSPJFXLI-HZPDHXFCSA-N 0 3 293.370 2.405 20 30 CEEDHN C#CCN(C)CCCCOc1c(OC)cccc1OC ZINC000289359664 263109439 /nfs/dbraw/zinc/10/94/39/263109439.db2.gz HDWASZMWSCHTMS-UHFFFAOYSA-N 0 3 277.364 2.428 20 30 CEEDHN CN1CC[C@H](NC[C@@H](C#N)CCC#N)[C@H]1c1ccccc1 ZINC000289351043 263109557 /nfs/dbraw/zinc/10/95/57/263109557.db2.gz HGZZUUGUGVVYNY-HYVNUMGLSA-N 0 3 282.391 2.465 20 30 CEEDHN N#CCCCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289389227 263109834 /nfs/dbraw/zinc/10/98/34/263109834.db2.gz NIUNKCOFOXYFKA-KGLIPLIRSA-N 0 3 286.331 2.101 20 30 CEEDHN C[C@@H](c1ccccc1)[C@@H](NCCC(C)(C)C#N)C(N)=O ZINC000292161013 263129066 /nfs/dbraw/zinc/12/90/66/263129066.db2.gz KYYVGCYKBHKWCA-GXTWGEPZSA-N 0 3 273.380 2.173 20 30 CEEDHN CC(C)(CO)[C@H](NCCOCCC#N)c1cccs1 ZINC000293468098 263141375 /nfs/dbraw/zinc/14/13/75/263141375.db2.gz DRMMEFCDMHPFKK-CYBMUJFWSA-N 0 3 282.409 2.328 20 30 CEEDHN C=CCN(CCC#N)C(=O)[C@H]1CCCN1C1CCCC1 ZINC000293683507 263146831 /nfs/dbraw/zinc/14/68/31/263146831.db2.gz HJBICHWKAWOPGK-OAHLLOKOSA-N 0 3 275.396 2.322 20 30 CEEDHN C=CC[C@H](CO)CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000340894751 263312789 /nfs/dbraw/zinc/31/27/89/263312789.db2.gz YLPXIXNWZMPISW-AWEZNQCLSA-N 0 3 291.395 2.054 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCCS2)CC1 ZINC000341058108 263320076 /nfs/dbraw/zinc/32/00/76/263320076.db2.gz XWZLNMBAPPEJMF-ZDUSSCGKSA-N 0 3 268.426 2.039 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](NCc1ccccc1)c1ccco1 ZINC000341124344 263323321 /nfs/dbraw/zinc/32/33/21/263323321.db2.gz VMSMXRXAFQMVKS-ZFWWWQNUSA-N 0 3 297.358 2.386 20 30 CEEDHN CC[C@@H](NC(=O)C(C)C#N)c1ccc(OC)c(OC)c1 ZINC000341350143 263332476 /nfs/dbraw/zinc/33/24/76/263332476.db2.gz BGSPSKGJHQFALV-CMPLNLGQSA-N 0 3 276.336 2.431 20 30 CEEDHN C=C[C@H](C)NC1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1 ZINC000341312971 263334168 /nfs/dbraw/zinc/33/41/68/263334168.db2.gz PAUAOZXGIFUQOY-LBPRGKRZSA-N 0 3 297.395 2.203 20 30 CEEDHN C=C(C)CCNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000454610447 263347274 /nfs/dbraw/zinc/34/72/74/263347274.db2.gz GQXVXZBFWBAAIN-ZDUSSCGKSA-N 0 3 253.390 2.126 20 30 CEEDHN C=CC[C@H](CO)CN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000341883496 263363322 /nfs/dbraw/zinc/36/33/22/263363322.db2.gz JEQCNZYNZXESOX-NHYWBVRUSA-N 0 3 285.334 2.427 20 30 CEEDHN C[C@H](C(=O)N[C@H]1CCCNC1=O)N1[C@H](C)CC[C@@H]1C ZINC000328666173 263835430 /nfs/dbraw/zinc/83/54/30/263835430.db2.gz CLBUMNXHMGOOGW-KXNHARMFSA-N 0 3 267.373 2.323 20 30 CEEDHN C#C[C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC000874859241 649856734 /nfs/dbraw/zinc/85/67/34/649856734.db2.gz JOUUTMKBIUNTIW-HDJSIYSDSA-N 0 3 264.413 2.273 20 30 CEEDHN CCn1nccc1NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000330694717 264004536 /nfs/dbraw/zinc/00/45/36/264004536.db2.gz TUQIWOXHSRZVBP-LBPRGKRZSA-N 0 3 279.388 2.103 20 30 CEEDHN COCCN1CCC(NC(=O)N[C@H]2CC[C@H](C)CC2)CC1 ZINC000330700580 264016928 /nfs/dbraw/zinc/01/69/28/264016928.db2.gz IKXFQEZEZKFSQG-HDJSIYSDSA-N 0 3 297.443 2.180 20 30 CEEDHN CC[C@H](C(=O)NC1(C#N)CCCCC1)N(CC)CC ZINC000330905718 264074115 /nfs/dbraw/zinc/07/41/15/264074115.db2.gz RYDJAKDJEAZXJL-CYBMUJFWSA-N 0 3 265.401 2.449 20 30 CEEDHN CC[C@@H](C)n1ncc(C(=O)NCCN(C)C)c1C ZINC000331083003 264117361 /nfs/dbraw/zinc/11/73/61/264117361.db2.gz OZRKMZDNXZBYHO-SNVBAGLBSA-N 0 3 252.362 2.029 20 30 CEEDHN C=CCn1cc(CNCCc2cccc(C)c2)nn1 ZINC000425358815 264140150 /nfs/dbraw/zinc/14/01/50/264140150.db2.gz UUEKQJXYNGMRMX-UHFFFAOYSA-N 0 3 256.353 2.105 20 30 CEEDHN CCCC(=O)NC[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000331275614 264170411 /nfs/dbraw/zinc/17/04/11/264170411.db2.gz XJJAMMQYEBOTTL-KKUMJFAQSA-N 0 3 277.412 2.307 20 30 CEEDHN C=CCc1cc(CN2CC[C@H](CO)[C@@H]2C)cc(OC)c1O ZINC000425961103 264227142 /nfs/dbraw/zinc/22/71/42/264227142.db2.gz ROTOHJDJMNZZBQ-SWLSCSKDSA-N 0 3 291.391 2.332 20 30 CEEDHN C=CCOc1ccc(CN(CCC)CCO)cc1OC ZINC000161217940 264280475 /nfs/dbraw/zinc/28/04/75/264280475.db2.gz KBPZGFZSUHQKRK-UHFFFAOYSA-N 0 3 279.380 2.464 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000293969467 264993044 /nfs/dbraw/zinc/99/30/44/264993044.db2.gz LYDGVBOHGYCAOD-KRWDZBQOSA-N 0 3 284.403 2.252 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000294068602 265005533 /nfs/dbraw/zinc/00/55/33/265005533.db2.gz VRLITTAGRIYOHF-UHFFFAOYSA-N 0 3 288.178 2.006 20 30 CEEDHN C=CCN(C(=O)N[C@@H](C)CN1CCCCC1)C1CC1 ZINC000357566884 266326575 /nfs/dbraw/zinc/32/65/75/266326575.db2.gz HDFKTCMILKRZLC-ZDUSSCGKSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCN(C(=O)NCCN1CCC(C)CC1)C1CC1 ZINC000357564611 266326998 /nfs/dbraw/zinc/32/69/98/266326998.db2.gz BSLDRGLTYJYZBG-UHFFFAOYSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CCN(C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1)C1CC1 ZINC000357574436 266327416 /nfs/dbraw/zinc/32/74/16/266327416.db2.gz UYIQXTGIVUONJQ-ZIAGYGMSSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cn3ccc(C)cc3n2)CC1 ZINC000357584619 266330933 /nfs/dbraw/zinc/33/09/33/266330933.db2.gz VSLLZXVZHPZAIZ-UHFFFAOYSA-N 0 3 298.390 2.023 20 30 CEEDHN COC(=O)C[C@@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000357601793 266333664 /nfs/dbraw/zinc/33/36/64/266333664.db2.gz RWTVRRNLICUPAS-BXKDBHETSA-N 0 3 294.738 2.220 20 30 CEEDHN CC(C#N)C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC000357965149 266390898 /nfs/dbraw/zinc/39/08/98/266390898.db2.gz PPYZIJRKGRPCHN-ZDUSSCGKSA-N 0 3 286.379 2.238 20 30 CEEDHN C=CCCS(=O)(=O)NC[C@@H](CC(C)C)N(CC)CC ZINC000360116663 266684343 /nfs/dbraw/zinc/68/43/43/266684343.db2.gz UQGXEJHYGVGSMN-CQSZACIVSA-N 0 3 290.473 2.238 20 30 CEEDHN CCCCN(C)CCNC(=O)NCc1ccc(C#N)s1 ZINC000420816314 267006166 /nfs/dbraw/zinc/00/61/66/267006166.db2.gz YIOQBTXKKNMOQF-UHFFFAOYSA-N 0 3 294.424 2.151 20 30 CEEDHN N#CCNC(=O)CN1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000362583656 267010663 /nfs/dbraw/zinc/01/06/63/267010663.db2.gz MFRLELCCOXLHKJ-BRWVUGGUSA-N 0 3 297.402 2.284 20 30 CEEDHN C=C[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000362708193 267037685 /nfs/dbraw/zinc/03/76/85/267037685.db2.gz UGXAVRILXNSLNY-HIFRSBDPSA-N 0 3 275.396 2.033 20 30 CEEDHN CCOC(=O)N1CC[C@H](NCc2ccc(C#N)c(C)c2)C1 ZINC000496013243 267125331 /nfs/dbraw/zinc/12/53/31/267125331.db2.gz XVICMHJCJODORE-HNNXBMFYSA-N 0 3 287.363 2.187 20 30 CEEDHN CCO[C@@H]1COCC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000439446791 267148893 /nfs/dbraw/zinc/14/88/93/267148893.db2.gz XSXXSIHTSZFYLE-LSDHHAIUSA-N 0 3 294.782 2.495 20 30 CEEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)[C@H](O)C(F)F ZINC000421379451 267222220 /nfs/dbraw/zinc/22/22/20/267222220.db2.gz IWUPGGIEGRDEPY-RYUDHWBXSA-N 0 3 272.270 2.192 20 30 CEEDHN CC[C@H](N[C@@H](C)CCS(C)(=O)=O)c1ccc(C#N)cc1 ZINC000447572963 267223172 /nfs/dbraw/zinc/22/31/72/267223172.db2.gz FIFASAUNZYUYNP-WFASDCNBSA-N 0 3 294.420 2.422 20 30 CEEDHN C[C@H]1CCOCCN1CCCC1(C#N)CCOCC1 ZINC000369191509 267225356 /nfs/dbraw/zinc/22/53/56/267225356.db2.gz ASAXQLJGZZITGK-AWEZNQCLSA-N 0 3 266.385 2.198 20 30 CEEDHN CC[C@H]1CN(CCN[C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000494463288 267232292 /nfs/dbraw/zinc/23/22/92/267232292.db2.gz FJIUOQYGMXGOKC-YOEHRIQHSA-N 0 3 287.407 2.320 20 30 CEEDHN C=CCNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000369858901 267271958 /nfs/dbraw/zinc/27/19/58/267271958.db2.gz ZBXAPKYCLLRQAZ-KRWDZBQOSA-N 0 3 287.407 2.384 20 30 CEEDHN CN(C)Cc1ccc(CNC(=O)c2ccc(C#N)o2)cc1 ZINC000431026989 267284165 /nfs/dbraw/zinc/28/41/65/267284165.db2.gz UEUIOMPJBCCTSP-UHFFFAOYSA-N 0 3 283.331 2.143 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)/C=C\c3ccc(C#N)cc3)[C@H]2C1 ZINC000492377017 267339634 /nfs/dbraw/zinc/33/96/34/267339634.db2.gz GONFQTVOSBFKND-SEDCNLEPSA-N 0 3 295.386 2.124 20 30 CEEDHN COC(=O)[C@H]1CCN(Cc2ccc(C#N)c(C)c2)[C@H]1C ZINC000489028717 267384846 /nfs/dbraw/zinc/38/48/46/267384846.db2.gz RENRJSQRZLLFBE-WFASDCNBSA-N 0 3 272.348 2.250 20 30 CEEDHN C[C@@H]1C[C@@H]1N1CCN(c2ncccc2C#N)C[C@@H](C)C1 ZINC000488719412 267780030 /nfs/dbraw/zinc/78/00/30/267780030.db2.gz YCLVYCXEXCBQNH-GUTXKFCHSA-N 0 3 270.380 2.120 20 30 CEEDHN C=CCN1CC[C@H](N2CCC(Cc3cccnc3)CC2)C1=O ZINC000375621414 267879348 /nfs/dbraw/zinc/87/93/48/267879348.db2.gz SLBUHBCOUFCTRB-KRWDZBQOSA-N 0 3 299.418 2.123 20 30 CEEDHN N#CCSCCCN1CCC(c2cnccn2)CC1 ZINC000376995619 268037630 /nfs/dbraw/zinc/03/76/30/268037630.db2.gz CUWGEOPHPSWWBE-UHFFFAOYSA-N 0 3 276.409 2.303 20 30 CEEDHN Cc1nn(CCN(C)Cc2ccccc2)cc1C#N ZINC000418975754 268092407 /nfs/dbraw/zinc/09/24/07/268092407.db2.gz TVADDTZVMRPWPN-UHFFFAOYSA-N 0 3 254.337 2.195 20 30 CEEDHN N#Cc1c(F)cccc1CN[C@H]1CCC[C@H]1CCO ZINC000428984700 268164196 /nfs/dbraw/zinc/16/41/96/268164196.db2.gz ILCKHXOYRVHUPJ-NHYWBVRUSA-N 0 3 262.328 2.338 20 30 CEEDHN CC[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)N(C)C ZINC000425120574 271125121 /nfs/dbraw/zinc/12/51/21/271125121.db2.gz AWAIVDMHTDRFDV-SWLSCSKDSA-N 0 3 273.380 2.418 20 30 CEEDHN CCN1CCC[C@@H]1CNc1c(C#N)cccc1[N+](=O)[O-] ZINC000425199547 271138746 /nfs/dbraw/zinc/13/87/46/271138746.db2.gz HTKFDSVZBQHBMA-GFCCVEGCSA-N 0 3 274.324 2.363 20 30 CEEDHN CCN1CCC[C@H]1CNc1c(C#N)cccc1[N+](=O)[O-] ZINC000425199548 271138955 /nfs/dbraw/zinc/13/89/55/271138955.db2.gz HTKFDSVZBQHBMA-LBPRGKRZSA-N 0 3 274.324 2.363 20 30 CEEDHN CO[C@H](C)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000182002633 274075492 /nfs/dbraw/zinc/07/54/92/274075492.db2.gz ZSXODAWLFRFIJH-OAHLLOKOSA-N 0 3 287.407 2.101 20 30 CEEDHN C[C@@H](Cn1ccnc1)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353390915 274233127 /nfs/dbraw/zinc/23/31/27/274233127.db2.gz VRTVCAPKKRWDJN-LRDDRELGSA-N 0 3 266.348 2.420 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000274803634 275386612 /nfs/dbraw/zinc/38/66/12/275386612.db2.gz NLGMQWDHYIPLAB-WMLDXEAASA-N 0 3 299.418 2.218 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)C(C)C)CC1 ZINC000171976384 335087369 /nfs/dbraw/zinc/08/73/69/335087369.db2.gz GBINWKQPAOOYKB-ZDUSSCGKSA-N 0 3 252.402 2.435 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@H](C)C[C@H](C)[C@H]1C ZINC000355784463 276008374 /nfs/dbraw/zinc/00/83/74/276008374.db2.gz PPCUNJTVMJBHGN-HLPPOEQASA-N 0 3 279.428 2.407 20 30 CEEDHN C#Cc1ccc(CN[C@@H](CC)[C@H](O)C(F)F)cc1 ZINC000294998758 276800522 /nfs/dbraw/zinc/80/05/22/276800522.db2.gz ICWCTFORZXMZHR-STQMWFEESA-N 0 3 253.292 2.162 20 30 CEEDHN CN1CCC(Nc2nccc(C#N)c2Cl)CC1 ZINC000234317964 277031897 /nfs/dbraw/zinc/03/18/97/277031897.db2.gz JGTBUQXZMFIRDZ-UHFFFAOYSA-N 0 3 250.733 2.113 20 30 CEEDHN COc1ccc2c(c1)OC[C@H](N[C@H]1CC[C@H](C#N)C1)C2 ZINC000333566180 277978301 /nfs/dbraw/zinc/97/83/01/277978301.db2.gz SKBXWJIYYJTIRC-FPMFFAJLSA-N 0 3 272.348 2.281 20 30 CEEDHN CSC[C@H](CCO)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353257572 278137236 /nfs/dbraw/zinc/13/72/36/278137236.db2.gz QQUGHUPTARTTRP-DZGCQCFKSA-N 0 3 276.405 2.249 20 30 CEEDHN C[C@H](NCC[C@H](C)[S@](C)=O)c1ccc(C#N)cc1 ZINC000252743224 278259868 /nfs/dbraw/zinc/25/98/68/278259868.db2.gz PAQCBJNXMAGFCN-PZROIBLQSA-N 0 3 264.394 2.366 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281289943 278309868 /nfs/dbraw/zinc/30/98/68/278309868.db2.gz JFQCEOFJBSOJFP-DFBGVHRSSA-N 0 3 285.347 2.050 20 30 CEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1c1ncc(C#N)cc1F ZINC000413298305 279088843 /nfs/dbraw/zinc/08/88/43/279088843.db2.gz SILLSEDHENMRNF-RISCZKNCSA-N 0 3 274.343 2.155 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](C)CC[C@@H]1C ZINC000072897065 279224727 /nfs/dbraw/zinc/22/47/27/279224727.db2.gz JUTLSCYJFKXCGC-MCIONIFRSA-N 0 3 265.401 2.115 20 30 CEEDHN C[C@H](CN(C)C)Nc1nc2cc(Cl)ccn2c1C#N ZINC000343801693 279280542 /nfs/dbraw/zinc/28/05/42/279280542.db2.gz GKMNRFINJASKRN-SECBINFHSA-N 0 3 277.759 2.221 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCC(C(=O)N3CCCCC3)CC2)C1 ZINC000335928958 279484385 /nfs/dbraw/zinc/48/43/85/279484385.db2.gz WYDYIAFRQOJMQI-GDBMZVCRSA-N 0 3 289.423 2.403 20 30 CEEDHN CC(C)(O)[C@@H]1CCCN1Cc1ccc(C#N)c(F)c1 ZINC000192121431 280179212 /nfs/dbraw/zinc/17/92/12/280179212.db2.gz ZLUPJDJPOVGBPF-AWEZNQCLSA-N 0 3 262.328 2.433 20 30 CEEDHN N#Cc1nccc(N[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000306406203 289275323 /nfs/dbraw/zinc/27/53/23/289275323.db2.gz WSJVGECTCDRZAM-CQSZACIVSA-N 0 3 279.347 2.035 20 30 CEEDHN C[C@H](CNC(=O)N[C@@]1(C)CCCOC1)N1CCC(C)CC1 ZINC000329150758 289395195 /nfs/dbraw/zinc/39/51/95/289395195.db2.gz RVTAVXFFRUDEGS-ZBFHGGJFSA-N 0 3 297.443 2.180 20 30 CEEDHN C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc(C#N)cc1 ZINC000378455618 290000244 /nfs/dbraw/zinc/00/02/44/290000244.db2.gz RQNWKDFZEFEFQV-KOZAUXTDSA-N 0 3 283.375 2.218 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000362931806 290219854 /nfs/dbraw/zinc/21/98/54/290219854.db2.gz LOQYECZNIRBJAT-OLMNPRSZSA-N 0 3 299.418 2.150 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CCCC12CCN(C)CC2 ZINC000335832264 294025641 /nfs/dbraw/zinc/02/56/41/294025641.db2.gz VLTFIMFCCXGRRO-UHFFFAOYSA-N 0 3 287.363 2.160 20 30 CEEDHN N#Cc1ccnc(C(=O)N2CCCC[C@@H](N3CCCC3)C2)c1 ZINC000287654756 294974719 /nfs/dbraw/zinc/97/47/19/294974719.db2.gz QPCCLCASCAZJMN-OAHLLOKOSA-N 0 3 298.390 2.044 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2ccco2)s1 ZINC000537317667 298209226 /nfs/dbraw/zinc/20/92/26/298209226.db2.gz JVDANPBTJDLJHQ-NSHDSACASA-N 0 3 276.361 2.154 20 30 CEEDHN N#Cc1ccc(CNC[C@H](O)COc2ccccc2)s1 ZINC000538313852 298226733 /nfs/dbraw/zinc/22/67/33/298226733.db2.gz UCWILBJDYCIDHL-LBPRGKRZSA-N 0 3 288.372 2.149 20 30 CEEDHN N#Cc1ccc(CN2CCNC[C@@H]2c2cccnc2)cc1 ZINC000261604758 303190493 /nfs/dbraw/zinc/19/04/93/303190493.db2.gz AYJQPLGWRGQXBL-QGZVFWFLSA-N 0 3 278.359 2.100 20 30 CEEDHN N#C[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C1CCCCC1 ZINC000332878701 327669711 /nfs/dbraw/zinc/66/97/11/327669711.db2.gz ZNRFPFVVWNMXLS-HZPDHXFCSA-N 0 3 289.423 2.449 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)OCC ZINC000339365262 328008485 /nfs/dbraw/zinc/00/84/85/328008485.db2.gz YPLIDOLLPBGXJU-KKUMJFAQSA-N 0 3 282.428 2.156 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)N[C@H](C)CN(C)C ZINC000353117987 328012555 /nfs/dbraw/zinc/01/25/55/328012555.db2.gz RXFXUEOXMOXRPY-CYBMUJFWSA-N 0 3 291.395 2.001 20 30 CEEDHN C=CCN1CCC(N[C@H](C)c2cncnc2C)CC1 ZINC000563417771 328063417 /nfs/dbraw/zinc/06/34/17/328063417.db2.gz LPFGJDWBFHMEKO-CYBMUJFWSA-N 0 3 260.385 2.086 20 30 CEEDHN C[C@H](C(=O)N(CCC#N)CC1CC1)N1[C@H](C)CC[C@@H]1C ZINC000412186553 328105516 /nfs/dbraw/zinc/10/55/16/328105516.db2.gz ZXQBGQCQPIJPMP-HZSPNIEDSA-N 0 3 277.412 2.400 20 30 CEEDHN N#CCC1CCN(C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000571537997 328133169 /nfs/dbraw/zinc/13/31/69/328133169.db2.gz NXRVUMCWFFNXPU-OAHLLOKOSA-N 0 3 286.379 2.022 20 30 CEEDHN CC(C)n1cc(C2=CCCN(C(=O)C(C)C#N)CC2)nn1 ZINC000572854856 328134794 /nfs/dbraw/zinc/13/47/94/328134794.db2.gz PGGWDZBLAWDJQW-GFCCVEGCSA-N 0 3 287.367 2.024 20 30 CEEDHN C=CC[C@@H](CO)NCc1cccc2c1OC(F)(F)O2 ZINC000414427070 328167895 /nfs/dbraw/zinc/16/78/95/328167895.db2.gz DTBSNMRZSVVGML-JTQLQIEISA-N 0 3 271.263 2.035 20 30 CEEDHN CC(C)(C#N)CCN[C@@H](CO)c1ccc(F)cc1 ZINC000273076924 328203640 /nfs/dbraw/zinc/20/36/40/328203640.db2.gz GNUTZGMBDDISTN-ZDUSSCGKSA-N 0 3 250.317 2.389 20 30 CEEDHN N#CCc1cccc(C(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000277554119 328221451 /nfs/dbraw/zinc/22/14/51/328221451.db2.gz OPMGWTKLMXTHMC-KRWDZBQOSA-N 0 3 297.402 2.499 20 30 CEEDHN N#CCCCCN1CCCN(c2ccccn2)CC1 ZINC000183829989 329253055 /nfs/dbraw/zinc/25/30/55/329253055.db2.gz XGPAPHNYBLHVEU-UHFFFAOYSA-N 0 3 258.369 2.288 20 30 CEEDHN C=CCOCC(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000340333665 328258763 /nfs/dbraw/zinc/25/87/63/328258763.db2.gz DRRQWONKWDHLES-UHFFFAOYSA-N 0 3 262.353 2.198 20 30 CEEDHN CN(C)c1cccc(CN(C)CCOCCC#N)c1 ZINC000293883340 328278398 /nfs/dbraw/zinc/27/83/98/328278398.db2.gz UHCGQQIZLQPXSV-UHFFFAOYSA-N 0 3 261.369 2.115 20 30 CEEDHN CC[C@H]1CN(C)CCN1Cc1ccc(C#N)c(F)c1 ZINC000580886734 322351680 /nfs/dbraw/zinc/35/16/80/322351680.db2.gz XFOYZGLFIDILHG-AWEZNQCLSA-N 0 3 261.344 2.223 20 30 CEEDHN CC(C)C[C@@H](CO)N(C)Cc1cc(C#N)cs1 ZINC000580919063 322354385 /nfs/dbraw/zinc/35/43/85/322354385.db2.gz NMEDWVHFRHYCMZ-LBPRGKRZSA-N 0 3 252.383 2.459 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)Cc1cccc(Cl)c1 ZINC000282683202 328511665 /nfs/dbraw/zinc/51/16/65/328511665.db2.gz OQTNNCWEFBVAAB-LLVKDONJSA-N 0 3 266.772 2.163 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000292564969 328537999 /nfs/dbraw/zinc/53/79/99/328537999.db2.gz UQCYENWIJLUKHM-STQMWFEESA-N 0 3 291.420 2.206 20 30 CEEDHN C=CCC[C@H](NC[C@H]1CC[C@@H](CO)O1)c1ccco1 ZINC000294358464 328548879 /nfs/dbraw/zinc/54/88/79/328548879.db2.gz QFNKNDACGAGCGM-RDBSUJKOSA-N 0 3 265.353 2.416 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNc1cccc(C#N)n1 ZINC000584152634 327051088 /nfs/dbraw/zinc/05/10/88/327051088.db2.gz RRFWVQGUFODOLC-ZDUSSCGKSA-N 0 3 258.369 2.486 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@H]1CCOC2(CCSCC2)C1 ZINC000584225084 327073397 /nfs/dbraw/zinc/07/33/97/327073397.db2.gz BLZVAGPWAXVJEE-KGLIPLIRSA-N 0 3 293.436 2.464 20 30 CEEDHN CCN(CC)CC(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000569522169 327191055 /nfs/dbraw/zinc/19/10/55/327191055.db2.gz CLZZLECPJQRLON-HNNXBMFYSA-N 0 3 265.401 2.307 20 30 CEEDHN CN(CCC(C)(C)C#N)[C@@H]1CCCN(c2cccnn2)C1 ZINC000119931086 327295625 /nfs/dbraw/zinc/29/56/25/327295625.db2.gz GZPIGMIBXHIGQS-CQSZACIVSA-N 0 3 287.411 2.317 20 30 CEEDHN Cc1cccc(OC[C@@H](O)CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000583377023 327332956 /nfs/dbraw/zinc/33/29/56/327332956.db2.gz UIMLVBSRKTUQJS-ZNMIVQPWSA-N 0 3 274.364 2.017 20 30 CEEDHN C#C[C@H](NCc1cc2c(c(OC)c1)OCO2)C(C)C ZINC000289614289 327537388 /nfs/dbraw/zinc/53/73/88/327537388.db2.gz VXYGDBNSVBTSOA-LBPRGKRZSA-N 0 3 261.321 2.171 20 30 CEEDHN C=CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1N(C)C ZINC000377690764 329024798 /nfs/dbraw/zinc/02/47/98/329024798.db2.gz ABEBEAPZLAIHEQ-HUUCEWRRSA-N 0 3 273.380 2.089 20 30 CEEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H](C)COC ZINC000582514302 329099454 /nfs/dbraw/zinc/09/94/54/329099454.db2.gz LCWYIUVUMSIBBD-CYBMUJFWSA-N 0 3 267.369 2.433 20 30 CEEDHN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)CC(=O)NCC#N ZINC000175432468 329168399 /nfs/dbraw/zinc/16/83/99/329168399.db2.gz IMHAMTFKOWRABE-VXGBXAGGSA-N 0 3 293.798 2.404 20 30 CEEDHN C#CCCCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000176667911 329177866 /nfs/dbraw/zinc/17/78/66/329177866.db2.gz UXFDDKJEOXRHOZ-WBVHZDCISA-N 0 3 299.418 2.362 20 30 CEEDHN N#CCCCN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177592457 329187847 /nfs/dbraw/zinc/18/78/47/329187847.db2.gz WVLHGGFDTOEJCU-OAHLLOKOSA-N 0 3 266.385 2.340 20 30 CEEDHN C#CCCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179183460 329205862 /nfs/dbraw/zinc/20/58/62/329205862.db2.gz UHTYNTJAORXZTQ-HOTGVXAUSA-N 0 3 285.391 2.144 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC000185330891 329270662 /nfs/dbraw/zinc/27/06/62/329270662.db2.gz QOQWCWFULFETBJ-UONOGXRCSA-N 0 3 250.386 2.045 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(-n3cncn3)cc2)C1 ZINC000185850312 329333318 /nfs/dbraw/zinc/33/33/18/329333318.db2.gz ACKLLWZYEGYWPF-CABCVRRESA-N 0 3 281.363 2.439 20 30 CEEDHN Cc1cc(N2CCN(CC(C)(C)CCC#N)CC2)n[nH]1 ZINC000189019349 329375086 /nfs/dbraw/zinc/37/50/86/329375086.db2.gz KCFOBDDCMDVTGS-UHFFFAOYSA-N 0 3 275.400 2.170 20 30 CEEDHN C=CCN(CCOC)C(=O)NCCN1CCCC[C@H]1CC ZINC000189123013 329377781 /nfs/dbraw/zinc/37/77/81/329377781.db2.gz QWVRHWJMICMREV-OAHLLOKOSA-N 0 3 297.443 2.095 20 30 CEEDHN C=C(C)CN(CC)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418555596 329533635 /nfs/dbraw/zinc/53/36/35/329533635.db2.gz POBJBQJCYRYVHH-UHFFFAOYSA-N 0 3 273.380 2.397 20 30 CEEDHN CC(C)(C#N)CCN1CCC(N2CCCCC2=O)CC1 ZINC000119739676 329548606 /nfs/dbraw/zinc/54/86/06/329548606.db2.gz OBGFWODNHTZBGN-UHFFFAOYSA-N 0 3 277.412 2.403 20 30 CEEDHN N#CC1(NC(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000572140231 329949290 /nfs/dbraw/zinc/94/92/90/329949290.db2.gz ZERSGKYRHPNLGS-UHFFFAOYSA-N 0 3 283.375 2.458 20 30 CEEDHN C#CC[C@H](NC[C@@H](O)COCC(C)C)c1ccccc1 ZINC000271703472 330082583 /nfs/dbraw/zinc/08/25/83/330082583.db2.gz NBKIQPSZWPPXOX-SJORKVTESA-N 0 3 275.392 2.374 20 30 CEEDHN C=CCS(=O)(=O)CC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000274736570 330107903 /nfs/dbraw/zinc/10/79/03/330107903.db2.gz DGKVFFHEKSEOTA-ZDUSSCGKSA-N 0 3 283.393 2.034 20 30 CEEDHN C=CCCN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000276425472 330113938 /nfs/dbraw/zinc/11/39/38/330113938.db2.gz MZNDYAVUSFFYMM-UHFFFAOYSA-N 0 3 289.423 2.219 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000422032928 330117760 /nfs/dbraw/zinc/11/77/60/330117760.db2.gz GSRJUSDEXNPIOZ-SJORKVTESA-N 0 3 299.418 2.312 20 30 CEEDHN C[C@@H]1CC[C@@H](O)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000422023169 330119514 /nfs/dbraw/zinc/11/95/14/330119514.db2.gz CTGWQBVQPARVMD-FVQBIDKESA-N 0 3 286.375 2.131 20 30 CEEDHN CSc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424065393 330219029 /nfs/dbraw/zinc/21/90/29/330219029.db2.gz LEQRKLIGGNQUHR-GFCCVEGCSA-N 0 3 263.366 2.368 20 30 CEEDHN CC[C@H](CNC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424064894 330219040 /nfs/dbraw/zinc/21/90/40/330219040.db2.gz KJBMFQBHFOSKFL-UKRRQHHQSA-N 0 3 273.380 2.318 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000424071161 330220007 /nfs/dbraw/zinc/22/00/07/330220007.db2.gz UJHYVCVEVYBNJI-HOTGVXAUSA-N 0 3 285.391 2.241 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(Cl)cc1F ZINC000424072060 330220177 /nfs/dbraw/zinc/22/01/77/330220177.db2.gz CCQZRYJAGVFLLB-JTQLQIEISA-N 0 3 269.707 2.439 20 30 CEEDHN CC(C)(C)C1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424111719 330240046 /nfs/dbraw/zinc/24/00/46/330240046.db2.gz HDILZGCPIHAJDT-CYBMUJFWSA-N 0 3 265.401 2.292 20 30 CEEDHN C[C@H](CCC(C)(C)C)NC(=O)[C@H](N)CCCC#N ZINC000424119741 330247619 /nfs/dbraw/zinc/24/76/19/330247619.db2.gz GEYPFBZVCAQFHM-VXGBXAGGSA-N 0 3 253.390 2.339 20 30 CEEDHN C[C@H](C[S@@](C)=O)N(C)CCCCC(C)(C)C#N ZINC000399951869 330249074 /nfs/dbraw/zinc/24/90/74/330249074.db2.gz IKCHHSJFOXSEIY-SJKOYZFVSA-N 0 3 258.431 2.405 20 30 CEEDHN Cc1nc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2o1 ZINC000424126321 330258903 /nfs/dbraw/zinc/25/89/03/330258903.db2.gz BJKMWTMBSWWBFK-NSHDSACASA-N 0 3 272.308 2.096 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NC1(Cc2ccccc2)CCC1 ZINC000424131124 330262041 /nfs/dbraw/zinc/26/20/41/330262041.db2.gz VTEKXESOWMQFIJ-HNNXBMFYSA-N 0 3 285.391 2.289 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000424131617 330263728 /nfs/dbraw/zinc/26/37/28/330263728.db2.gz JKBUGSJGYNQSII-OAHLLOKOSA-N 0 3 286.379 2.246 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1nc2ccsc2s1 ZINC000424135913 330270757 /nfs/dbraw/zinc/27/07/57/330270757.db2.gz ZZNDQUQQFLZIEZ-ZETCQYMHSA-N 0 3 280.378 2.317 20 30 CEEDHN Cc1cnc([C@H](NC(=O)[C@H](N)CCCC#N)C2CC2)s1 ZINC000424136764 330272611 /nfs/dbraw/zinc/27/26/11/330272611.db2.gz BFATYRULYAWLTQ-VXGBXAGGSA-N 0 3 292.408 2.040 20 30 CEEDHN CC(C)N(C)c1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424149660 330295812 /nfs/dbraw/zinc/29/58/12/330295812.db2.gz XBRCSDKOCIFHMM-HNNXBMFYSA-N 0 3 288.395 2.491 20 30 CEEDHN Cn1cc2ccc(CN[C@@H]3CC[C@@H](C#N)C3)cc2n1 ZINC000527963966 330300933 /nfs/dbraw/zinc/30/09/33/330300933.db2.gz SLNGQBGXCOZMIY-BXUZGUMPSA-N 0 3 254.337 2.355 20 30 CEEDHN CCCc1cnc(NC(=O)[C@H](N)CCCC#N)s1 ZINC000424184931 330320283 /nfs/dbraw/zinc/32/02/83/330320283.db2.gz YMTMTPJFOKEBBZ-SNVBAGLBSA-N 0 3 266.370 2.055 20 30 CEEDHN C=CCn1cc(CNC2CCC(CSC)CC2)nn1 ZINC000424299485 330336820 /nfs/dbraw/zinc/33/68/20/330336820.db2.gz VJOJHEWNPPYDRH-UHFFFAOYSA-N 0 3 280.441 2.476 20 30 CEEDHN C=CCC1(C(=O)NCCN2CCC(C)CC2)CCOCC1 ZINC000424587626 330391305 /nfs/dbraw/zinc/39/13/05/330391305.db2.gz ULTPAMYZGVJCOF-UHFFFAOYSA-N 0 3 294.439 2.207 20 30 CEEDHN C[C@@H](CC#N)N(C)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000431852876 330589620 /nfs/dbraw/zinc/58/96/20/330589620.db2.gz ZRGSZJJYOMNPOY-DZGCQCFKSA-N 0 3 273.380 2.440 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1C[C@@H](OC)C1(C)C ZINC000439623351 330741348 /nfs/dbraw/zinc/74/13/48/330741348.db2.gz GTOOQJZDRFSWJB-MELADBBJSA-N 0 3 282.428 2.203 20 30 CEEDHN COc1ccc([C@H](CCO)N[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442772150 330781757 /nfs/dbraw/zinc/78/17/57/330781757.db2.gz ALFUFXMECHYRJR-INWMFGNUSA-N 0 3 274.364 2.401 20 30 CEEDHN COC(=O)[C@](C)(CN[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000443067447 330793565 /nfs/dbraw/zinc/79/35/65/330793565.db2.gz LNNSQKBYAASDMJ-FRFSOERESA-N 0 3 286.375 2.399 20 30 CEEDHN C=CC[C@H](CO)CNCc1cnc(C(F)(F)F)s1 ZINC000443992972 330808716 /nfs/dbraw/zinc/80/87/16/330808716.db2.gz YZUYPVWMZVLTEC-QMMMGPOBSA-N 0 3 280.315 2.436 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cnc2ccc(C)cn12 ZINC000449700712 330944841 /nfs/dbraw/zinc/94/48/41/330944841.db2.gz URVXJDCMIYSOJT-ZDUSSCGKSA-N 0 3 259.353 2.059 20 30 CEEDHN CN(C)C(=O)C1(NCCC(C)(C)C#N)CCCCC1 ZINC000451417148 331028589 /nfs/dbraw/zinc/02/85/89/331028589.db2.gz YLFJQETWHIGONA-UHFFFAOYSA-N 0 3 265.401 2.307 20 30 CEEDHN COC[C@@H](CNC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000452759637 331075162 /nfs/dbraw/zinc/07/51/62/331075162.db2.gz UNQXDVSWGDYPPE-ZYHUDNBSSA-N 0 3 280.755 2.346 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452864453 331079675 /nfs/dbraw/zinc/07/96/75/331079675.db2.gz WKCFCVQUJNXGPU-WCQYABFASA-N 0 3 287.319 2.460 20 30 CEEDHN C[C@@H](CCCCO)NC(=O)C(C#N)CCc1ccccc1 ZINC000452986833 331082939 /nfs/dbraw/zinc/08/29/39/331082939.db2.gz MMYZYGUDTZCKCB-HOCLYGCPSA-N 0 3 288.391 2.426 20 30 CEEDHN C=CCNC(=O)C(C)S(=O)(=O)CC1(C)CCCCC1 ZINC000453040267 331084531 /nfs/dbraw/zinc/08/45/31/331084531.db2.gz JPKLRSZKVFKZDF-LBPRGKRZSA-N 0 3 287.425 2.062 20 30 CEEDHN C[C@@H](CC(C)(C)O)NC(=O)C(C#N)CCc1ccccc1 ZINC000456097325 331184167 /nfs/dbraw/zinc/18/41/67/331184167.db2.gz OPQHNPINXIICMA-DZGCQCFKSA-N 0 3 288.391 2.425 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000456112973 331184406 /nfs/dbraw/zinc/18/44/06/331184406.db2.gz VWMDVEIZHWUAQO-MCIONIFRSA-N 0 3 278.302 2.277 20 30 CEEDHN C=CCC1(NC(=O)NCCN(C)CCOC)CCCCC1 ZINC000458238224 331245884 /nfs/dbraw/zinc/24/58/84/331245884.db2.gz LYGYWNLJOKYNLV-UHFFFAOYSA-N 0 3 297.443 2.143 20 30 CEEDHN C=CCC(C)(C)CNC(=O)NC[C@@H]1CCCN1CC ZINC000458447949 331251508 /nfs/dbraw/zinc/25/15/08/331251508.db2.gz RYGKZGNYDPEUGC-ZDUSSCGKSA-N 0 3 267.417 2.372 20 30 CEEDHN CC#CCN(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000458572590 331253284 /nfs/dbraw/zinc/25/32/84/331253284.db2.gz HDVHFZUGBVPOFQ-HZPDHXFCSA-N 0 3 285.391 2.097 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)NCC(C)(C)CCC#N)C1 ZINC000458766581 331259457 /nfs/dbraw/zinc/25/94/57/331259457.db2.gz NCOKSDSFKVWVPG-AWEZNQCLSA-N 0 3 294.443 2.440 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N1CCN(C)CC[C@H]1C ZINC000458807027 331260359 /nfs/dbraw/zinc/26/03/59/331260359.db2.gz FFIQOCPEGBIHNV-CYBMUJFWSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000458811550 331260814 /nfs/dbraw/zinc/26/08/14/331260814.db2.gz OVYHZOXLDMHFSE-AWEZNQCLSA-N 0 3 279.428 2.467 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459003801 331265803 /nfs/dbraw/zinc/26/58/03/331265803.db2.gz GGTVMVMBVWVJPD-KKUMJFAQSA-N 0 3 292.427 2.052 20 30 CEEDHN CC#CCCN1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459558720 331287770 /nfs/dbraw/zinc/28/77/70/331287770.db2.gz JGOQMXLVVHMXTA-HNNXBMFYSA-N 0 3 251.370 2.454 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C1CC(C)(C)C1 ZINC000459749104 331298211 /nfs/dbraw/zinc/29/82/11/331298211.db2.gz YCFJVQCEMGRZBK-GFCCVEGCSA-N 0 3 265.401 2.115 20 30 CEEDHN C=CCCCCCN1CCN(Cc2cnn(C)c2)CC1 ZINC000487892852 331983256 /nfs/dbraw/zinc/98/32/56/331983256.db2.gz XVGSYEPOOJFORG-UHFFFAOYSA-N 0 3 276.428 2.284 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H]2CC)CC1 ZINC000488843397 332028857 /nfs/dbraw/zinc/02/88/57/332028857.db2.gz MDZKJYZYHVGZIQ-AWEZNQCLSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCCCS(=O)(=O)N(C)[C@@H]1CCN(CC)[C@H](C)C1 ZINC000489507152 332057328 /nfs/dbraw/zinc/05/73/28/332057328.db2.gz IBILPBRQZIUBCG-ZIAGYGMSSA-N 0 3 288.457 2.087 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCC[C@@H]2CC)CC1 ZINC000490575873 332093053 /nfs/dbraw/zinc/09/30/53/332093053.db2.gz ZDGHFUNDLHVFPN-HOCLYGCPSA-N 0 3 276.424 2.417 20 30 CEEDHN C#C[C@H](NC(=O)c1cccc(CN(C)C)c1)C(C)C ZINC000490637785 332098799 /nfs/dbraw/zinc/09/87/99/332098799.db2.gz STLLLXGXZWQPHH-HNNXBMFYSA-N 0 3 258.365 2.136 20 30 CEEDHN C#CCN1CCC(C(=O)NC(C)(C)c2ccc(C)nc2)CC1 ZINC000491015192 332139117 /nfs/dbraw/zinc/13/91/17/332139117.db2.gz WTLIDAXJGLIPKD-UHFFFAOYSA-N 0 3 299.418 2.087 20 30 CEEDHN C#C[C@H](CC)NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000491315222 332188560 /nfs/dbraw/zinc/18/85/60/332188560.db2.gz LURGCTQVGGCBLU-FVQBIDKESA-N 0 3 287.407 2.389 20 30 CEEDHN C#C[C@H](CC)NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000491315221 332188609 /nfs/dbraw/zinc/18/86/09/332188609.db2.gz LURGCTQVGGCBLU-BMFZPTHFSA-N 0 3 287.407 2.389 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCCCC(C)C ZINC000491463803 332215153 /nfs/dbraw/zinc/21/51/53/332215153.db2.gz OXJKECSXKLJHPS-UHFFFAOYSA-N 0 3 252.402 2.274 20 30 CEEDHN C#C[C@H](C)N(C)Cc1ccccc1N1CCO[C@H](C)C1 ZINC000491474771 332218474 /nfs/dbraw/zinc/21/84/74/332218474.db2.gz PVNMRYLJMVCKMF-LSDHHAIUSA-N 0 3 272.392 2.365 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](CC)OC1CCCCC1 ZINC000491516830 332227922 /nfs/dbraw/zinc/22/79/22/332227922.db2.gz VQAAXJYHLVWLBE-MRXNPFEDSA-N 0 3 294.439 2.186 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000491621691 332246867 /nfs/dbraw/zinc/24/68/67/332246867.db2.gz DGESKSVFUJIQTI-IRXDYDNUSA-N 0 3 299.418 2.212 20 30 CEEDHN C#C[C@@H](NC(=O)Cc1nc[nH]c1C)c1ccc(Cl)cc1 ZINC000491674538 332280306 /nfs/dbraw/zinc/28/03/06/332280306.db2.gz KLXWBUDLBYYTPQ-CYBMUJFWSA-N 0 3 287.750 2.405 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC[C@H](C2CCCC2)C1 ZINC000491796258 332354856 /nfs/dbraw/zinc/35/48/56/332354856.db2.gz YWPTYCLBOFYTIB-INIZCTEOSA-N 0 3 291.439 2.163 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](C)c1ccccc1F ZINC000491804006 332357960 /nfs/dbraw/zinc/35/79/60/332357960.db2.gz KDFHJGZXGHFRHR-CYBMUJFWSA-N 0 3 276.355 2.001 20 30 CEEDHN C#CCN(C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)C1CC1 ZINC000491812537 332364771 /nfs/dbraw/zinc/36/47/71/332364771.db2.gz NYICZCLPHDSEQZ-GUYCJALGSA-N 0 3 290.407 2.341 20 30 CEEDHN C=CCC1(CNC(=O)/C=C/CN(C)C)CCCC1 ZINC000493013195 332422519 /nfs/dbraw/zinc/42/25/19/332422519.db2.gz BCHGSLQIWNDYDK-BQYQJAHWSA-N 0 3 250.386 2.357 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C/c2cccnc2C)CC1 ZINC000493564191 332445254 /nfs/dbraw/zinc/44/52/54/332445254.db2.gz WZQXCYFWMRDNGS-BQYQJAHWSA-N 0 3 297.402 2.007 20 30 CEEDHN C#C[C@@H](NC[C@H](O)COCc1ccc(Cl)cc1)C(C)C ZINC000312157131 333077580 /nfs/dbraw/zinc/07/75/80/333077580.db2.gz ITUIOQDOVPIHRO-JKSUJKDBSA-N 0 3 295.810 2.465 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](c2cccnc2)C1 ZINC000516766535 333082184 /nfs/dbraw/zinc/08/21/84/333082184.db2.gz MQOXDVBAEOLPFJ-DOTOQJQBSA-N 0 3 299.418 2.460 20 30 CEEDHN CNC(=O)[C@@H](NCc1ccccc1C(C)(C)C#N)C(C)C ZINC000183680540 333121511 /nfs/dbraw/zinc/12/15/11/333121511.db2.gz ROLBWLGGWIHFSO-HNNXBMFYSA-N 0 3 287.407 2.348 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C/c2scnc2C)CC1 ZINC000188893358 333175373 /nfs/dbraw/zinc/17/53/73/333175373.db2.gz ZNXQQDLOFRZLFK-SNAWJCMRSA-N 0 3 291.420 2.231 20 30 CEEDHN C[C@@H](CNC(=O)[C@]1(C#N)CC12CCCC2)N1CCCC1 ZINC000521779358 333187453 /nfs/dbraw/zinc/18/74/53/333187453.db2.gz YARMYUORQJNVLA-XJKSGUPXSA-N 0 3 275.396 2.061 20 30 CEEDHN CCS[C@H]1CCCC[C@H]1NCC(=O)N(CC)CCC#N ZINC000190045369 333202632 /nfs/dbraw/zinc/20/26/32/333202632.db2.gz GWVGMXVRAVFBKT-KGLIPLIRSA-N 0 3 297.468 2.402 20 30 CEEDHN C=CC1CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000238009477 333382515 /nfs/dbraw/zinc/38/25/15/333382515.db2.gz XJFIWQLEGGTJBR-OAHLLOKOSA-N 0 3 258.365 2.154 20 30 CEEDHN C=CCOCCN1CCN(Cc2ccccc2)CC1 ZINC000338903827 335139710 /nfs/dbraw/zinc/13/97/10/335139710.db2.gz QTKTVQVWYGMNML-UHFFFAOYSA-N 0 3 260.381 2.007 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000529370340 333483703 /nfs/dbraw/zinc/48/37/03/333483703.db2.gz ZJBWYSKGDFHKKX-UONOGXRCSA-N 0 3 277.412 2.402 20 30 CEEDHN C#CCN1CCC(C(=O)NCCCC(C)(C)C)CC1 ZINC000126678737 333602656 /nfs/dbraw/zinc/60/26/56/333602656.db2.gz VQQRQYSAHPFDKX-UHFFFAOYSA-N 0 3 264.413 2.274 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCSCC1 ZINC000089983874 334354739 /nfs/dbraw/zinc/35/47/39/334354739.db2.gz LHUVPNKKDJVRJU-ZDUSSCGKSA-N 0 3 270.442 2.238 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC(OC[C@H]3CCOC3)CC2)C1 ZINC000555417816 334477726 /nfs/dbraw/zinc/47/77/26/334477726.db2.gz OYTQKBSDPMFPNM-ILXRZTDVSA-N 0 3 278.396 2.196 20 30 CEEDHN C=CCCCNCc1cc2c(cc1OCCOC)OCO2 ZINC000556091880 334495038 /nfs/dbraw/zinc/49/50/38/334495038.db2.gz MUOVKKXSUXHSBM-UHFFFAOYSA-N 0 3 293.363 2.496 20 30 CEEDHN CC(C)c1ccccc1OC[C@H](O)CNCCCC#N ZINC000564560741 334512033 /nfs/dbraw/zinc/51/20/33/334512033.db2.gz DVBGRZAIWWKVGF-CQSZACIVSA-N 0 3 276.380 2.443 20 30 CEEDHN N#CCCCNC[C@H](O)Cc1cccc(Cl)c1 ZINC000564873818 334525179 /nfs/dbraw/zinc/52/51/79/334525179.db2.gz TVVCUERVMWIQRK-CYBMUJFWSA-N 0 3 252.745 2.137 20 30 CEEDHN C=CC[C@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289672411 500580605 /nfs/dbraw/zinc/58/06/05/500580605.db2.gz ZDJHOFDIOTXYAX-FPMFFAJLSA-N 0 3 273.332 2.372 20 30 CEEDHN COc1ccccc1CN(C(=O)C(C)C#N)C1CC1 ZINC000347068231 534050015 /nfs/dbraw/zinc/05/00/15/534050015.db2.gz LKJHHMFICYADTN-NSHDSACASA-N 0 3 258.321 2.346 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000347091997 534282815 /nfs/dbraw/zinc/28/28/15/534282815.db2.gz TWDMKTGZUZQRIQ-UTUOFQBUSA-N 0 3 252.358 2.104 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1cnc(C#N)cn1 ZINC000274753463 525011706 /nfs/dbraw/zinc/01/17/06/525011706.db2.gz PUDKSFVGOZJJHU-CZUORRHYSA-N 0 3 293.374 2.281 20 30 CEEDHN CC#CCCCC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344711042 526298791 /nfs/dbraw/zinc/29/87/91/526298791.db2.gz NURWANIDGCHOTQ-CQSZACIVSA-N 0 3 264.413 2.417 20 30 CEEDHN C=CCN1CCC(NC(=O)CO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000353838584 526422874 /nfs/dbraw/zinc/42/28/74/526422874.db2.gz WJYWMJWQEBOQMY-GOEBONIOSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)CN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000353689372 526492836 /nfs/dbraw/zinc/49/28/36/526492836.db2.gz BLYHEWIPXFANPR-INIZCTEOSA-N 0 3 287.407 2.478 20 30 CEEDHN CC(C)(C)[C@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000404087206 526701413 /nfs/dbraw/zinc/70/14/13/526701413.db2.gz VCHFCKWJOFRCGN-ZDUSSCGKSA-N 0 3 250.317 2.194 20 30 CEEDHN C=CCOCCCN1CCC[C@H](c2nncn2CC)C1 ZINC000348044960 526753549 /nfs/dbraw/zinc/75/35/49/526753549.db2.gz IKTNGDCRTBDFBT-AWEZNQCLSA-N 0 3 278.400 2.070 20 30 CEEDHN CC(C)(CCC#N)CN[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000352270320 527000690 /nfs/dbraw/zinc/00/06/90/527000690.db2.gz FIGGTOKYBRWNQP-CQSZACIVSA-N 0 3 291.370 2.142 20 30 CEEDHN C=CCSCCNCc1ccccc1C(=O)N(C)C ZINC000417910450 527002696 /nfs/dbraw/zinc/00/26/96/527002696.db2.gz JUFDVCMGMAATRR-UHFFFAOYSA-N 0 3 278.421 2.397 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NCCN1CCC(C)CC1 ZINC000347630885 527044424 /nfs/dbraw/zinc/04/44/24/527044424.db2.gz IOZJCOWCQDJSCX-CQSZACIVSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CCCN(CCC)CC1 ZINC000366978948 527146935 /nfs/dbraw/zinc/14/69/35/527146935.db2.gz CYBRMHFSRBIYGP-AWEZNQCLSA-N 0 3 267.417 2.468 20 30 CEEDHN C=CCCCNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000418096817 527220386 /nfs/dbraw/zinc/22/03/86/527220386.db2.gz JGPIGIALLMHSGM-OAHLLOKOSA-N 0 3 273.380 2.139 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000417989938 527289132 /nfs/dbraw/zinc/28/91/32/527289132.db2.gz UCGLVEOCMYKGAG-YNEHKIRRSA-N 0 3 253.390 2.123 20 30 CEEDHN C=CCC[C@H](NC[C@@H](O)[C@@H]1CCOC1)c1ccco1 ZINC000353632176 527484381 /nfs/dbraw/zinc/48/43/81/527484381.db2.gz NUYCSDGWDKDEAK-HZSPNIEDSA-N 0 3 265.353 2.274 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)c(OC)c2)C[C@H]1C ZINC000442889468 527930569 /nfs/dbraw/zinc/93/05/69/527930569.db2.gz KKIVEDDHIPKVMK-ZIAGYGMSSA-N 0 3 287.407 2.481 20 30 CEEDHN CCCOc1ccc(CNC(=O)C(C)C#N)cc1OC ZINC000347076456 528682199 /nfs/dbraw/zinc/68/21/99/528682199.db2.gz SSBMJVCQPOLALW-LLVKDONJSA-N 0 3 276.336 2.260 20 30 CEEDHN CC(C)N(Cc1ccc(F)c(C#N)c1)C[C@H]1CCC(=O)N1 ZINC000412063699 528939952 /nfs/dbraw/zinc/93/99/52/528939952.db2.gz CACAKBFDGJFBKO-CQSZACIVSA-N 0 3 289.354 2.186 20 30 CEEDHN CC1(C)CCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2ccnc2C1 ZINC000330200171 528965543 /nfs/dbraw/zinc/96/55/43/528965543.db2.gz WKHMKUNCKQIXMB-NEPJUHHUSA-N 0 3 276.384 2.280 20 30 CEEDHN CC1(C)CC[C@H](NC(=O)N[C@H]2CCc3[nH]cnc3C2)C1 ZINC000329538143 529044264 /nfs/dbraw/zinc/04/42/64/529044264.db2.gz BWBXKPNVMWNVJZ-QWRGUYRKSA-N 0 3 276.384 2.349 20 30 CEEDHN CC1(C)CCc2ccccc2[C@H](NCC(=O)NCC#N)C1 ZINC000331398217 529056678 /nfs/dbraw/zinc/05/66/78/529056678.db2.gz GBXQPXYAIJPUOL-OAHLLOKOSA-N 0 3 285.391 2.320 20 30 CEEDHN CC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000127972232 535565525 /nfs/dbraw/zinc/56/55/25/535565525.db2.gz SFNFIXQSAHJFLA-GFCCVEGCSA-N 0 3 288.351 2.387 20 30 CEEDHN CCc1ccc([C@@H](C)C(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000727953917 574459020 /nfs/dbraw/zinc/45/90/20/574459020.db2.gz QZGXZSAGQNTHNK-ABAIWWIYSA-N 0 3 284.359 2.340 20 30 CEEDHN CCc1ccc([C@H](C)C(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000727953920 574459073 /nfs/dbraw/zinc/45/90/73/574459073.db2.gz QZGXZSAGQNTHNK-XHDPSFHLSA-N 0 3 284.359 2.340 20 30 CEEDHN C#Cc1ccc(C(=O)Nc2ccc(CN(C)C)cc2)nc1 ZINC000728858974 574472491 /nfs/dbraw/zinc/47/24/91/574472491.db2.gz GTDWTUWRVQNMJX-UHFFFAOYSA-N 0 3 279.343 2.377 20 30 CEEDHN CCOCCOCC(=O)C(C#N)c1ccc2ccccc2n1 ZINC000729890082 574494338 /nfs/dbraw/zinc/49/43/38/574494338.db2.gz JISBDZVVAZWGLI-AWEZNQCLSA-N 0 3 298.342 2.464 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H](C)Cc2ccco2)CC1 ZINC000730115416 574502225 /nfs/dbraw/zinc/50/22/25/574502225.db2.gz JTUKVUVRNYCXRO-CYBMUJFWSA-N 0 3 291.395 2.160 20 30 CEEDHN C=C(C)CNC(=S)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000730731928 574526893 /nfs/dbraw/zinc/52/68/93/574526893.db2.gz RWTVBZNOGBKVMK-STQMWFEESA-N 0 3 269.458 2.290 20 30 CEEDHN C=CCOc1ccc(CN[C@H](CO)C2CC2)cc1OC ZINC000734164129 574704432 /nfs/dbraw/zinc/70/44/32/574704432.db2.gz KQHIWYNCGDPHIX-CQSZACIVSA-N 0 3 277.364 2.121 20 30 CEEDHN CC(C)(C)[C@H]1CCCN(CC(=O)NCCC#N)CC1 ZINC000734837764 574732676 /nfs/dbraw/zinc/73/26/76/574732676.db2.gz SMWFHSDGMUHWSB-ZDUSSCGKSA-N 0 3 265.401 2.164 20 30 CEEDHN C=CCCC[N@@H+](C)CCOc1cccc(-c2nnn[n-]2)c1 ZINC000735412447 574755000 /nfs/dbraw/zinc/75/50/00/574755000.db2.gz BBQQFALUXXVUEB-UHFFFAOYSA-N 0 3 287.367 2.144 20 30 CEEDHN C=CCCC[N@H+](C)CCOc1cccc(-c2nnn[n-]2)c1 ZINC000735412447 574755002 /nfs/dbraw/zinc/75/50/02/574755002.db2.gz BBQQFALUXXVUEB-UHFFFAOYSA-N 0 3 287.367 2.144 20 30 CEEDHN C=CCCC[N@@H+](C)CCOc1cccc(-c2nn[n-]n2)c1 ZINC000735412447 574755005 /nfs/dbraw/zinc/75/50/05/574755005.db2.gz BBQQFALUXXVUEB-UHFFFAOYSA-N 0 3 287.367 2.144 20 30 CEEDHN C=CCCC[N@H+](C)CCOc1cccc(-c2nn[n-]n2)c1 ZINC000735412447 574755007 /nfs/dbraw/zinc/75/50/07/574755007.db2.gz BBQQFALUXXVUEB-UHFFFAOYSA-N 0 3 287.367 2.144 20 30 CEEDHN C=CCCCN(C)C(=S)NC[C@@H]1CCCN1CC ZINC000736450981 574789445 /nfs/dbraw/zinc/78/94/45/574789445.db2.gz YDHKCYDOVBQQGE-ZDUSSCGKSA-N 0 3 269.458 2.243 20 30 CEEDHN CC(CCc1ccccc1[N+](=O)[O-])=Nn1cnnc1 ZINC000741451313 574987483 /nfs/dbraw/zinc/98/74/83/574987483.db2.gz NBMJKGDBMHDPNH-UHFFFAOYSA-N 0 3 259.269 2.043 20 30 CEEDHN CC(=NNC(=N)N)c1ccc(SCC(F)F)cc1 ZINC000741758802 574996768 /nfs/dbraw/zinc/99/67/68/574996768.db2.gz CJHLVCHWYHQPPP-UHFFFAOYSA-N 0 3 272.324 2.251 20 30 CEEDHN CC(C)OC(=O)N1CCC(NCc2ccc(C#N)o2)CC1 ZINC000742370731 575017461 /nfs/dbraw/zinc/01/74/61/575017461.db2.gz LCAUVFHQDHCRKM-UHFFFAOYSA-N 0 3 291.351 2.250 20 30 CEEDHN N=C(N)NN=Cc1cc(Cl)ccc1OC1CCCC1 ZINC000743417682 575053016 /nfs/dbraw/zinc/05/30/16/575053016.db2.gz NDTJJXKCBCQUIN-UHFFFAOYSA-N 0 3 280.759 2.478 20 30 CEEDHN CNC(=O)C(C#N)C(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000744036276 575112490 /nfs/dbraw/zinc/11/24/90/575112490.db2.gz XSISOKLQSMZXBT-WCBMZHEXSA-N 0 3 298.264 2.264 20 30 CEEDHN C#CCOc1ccccc1CNCCN1CC[C@@H](C)C1 ZINC000744450477 575121642 /nfs/dbraw/zinc/12/16/42/575121642.db2.gz WJXPBNGSNZGEFI-OAHLLOKOSA-N 0 3 272.392 2.130 20 30 CEEDHN C/C=C/C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000744463478 575121837 /nfs/dbraw/zinc/12/18/37/575121837.db2.gz GLDNNGRZZUZUAP-GQCTYLIASA-N 0 3 271.364 2.025 20 30 CEEDHN C[C@@H]1CN(C)CC1N=Nc1ncnc2sccc21 ZINC000752162973 575306338 /nfs/dbraw/zinc/30/63/38/575306338.db2.gz KMRCDBIOHJIHEH-MRVPVSSYSA-N 0 3 261.354 2.041 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000752853611 575315687 /nfs/dbraw/zinc/31/56/87/575315687.db2.gz DOKJZHZAYXPLOJ-DLBZAZTESA-N 0 3 275.392 2.369 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H](C)C(C)(C)C)CC1 ZINC000981451731 613003457 /nfs/dbraw/zinc/00/34/57/613003457.db2.gz VWPOMOHBRSYSPY-CQSZACIVSA-N 0 3 264.413 2.226 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C2(c3ccc(C)cc3)CCC2)C1 ZINC000970834873 612960270 /nfs/dbraw/zinc/96/02/70/612960270.db2.gz CSDPATLYHZYOJL-QGZVFWFLSA-N 0 3 296.414 2.240 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2F)C1 ZINC000970277598 612960954 /nfs/dbraw/zinc/96/09/54/612960954.db2.gz HFLULOYRILZNRB-ZIAGYGMSSA-N 0 3 288.366 2.143 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)Cc2cc3ccccc3s2)C1 ZINC000969319195 612961603 /nfs/dbraw/zinc/96/16/03/612961603.db2.gz RPAARCOANUQNDZ-CQSZACIVSA-N 0 3 298.411 2.268 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc(CC)c(C)s2)C1 ZINC000970671536 612964912 /nfs/dbraw/zinc/96/49/12/612964912.db2.gz YQIMTXHAZASRHX-CYBMUJFWSA-N 0 3 276.405 2.056 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc3sccc3s2)C1 ZINC000969097454 612965241 /nfs/dbraw/zinc/96/52/41/612965241.db2.gz CRPNUBSNLWYOKA-SNVBAGLBSA-N 0 3 290.413 2.400 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc[nH]c2CCC)C1 ZINC000970310901 612995305 /nfs/dbraw/zinc/99/53/05/612995305.db2.gz RSNZHHZCCCSHJK-CYBMUJFWSA-N 0 3 287.407 2.041 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)C2CCCCCC2)C1 ZINC000969384384 612996352 /nfs/dbraw/zinc/99/63/52/612996352.db2.gz GOXKRFALDCLDEV-AWEZNQCLSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000969710478 612996586 /nfs/dbraw/zinc/99/65/86/612996586.db2.gz UNRQSZPKGGGXOE-QSJFSLAZSA-N 0 3 286.419 2.049 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC000970415079 612996773 /nfs/dbraw/zinc/99/67/73/612996773.db2.gz RNJWFYKGLAEODF-STQMWFEESA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(C)s2)C1 ZINC000969216753 612997404 /nfs/dbraw/zinc/99/74/04/612997404.db2.gz YBYCKXJKNTYDDM-LBPRGKRZSA-N 0 3 276.405 2.130 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC000983428207 613004985 /nfs/dbraw/zinc/00/49/85/613004985.db2.gz FVLRYECFIGYAKH-WBVHZDCISA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccoc2CC)C1 ZINC000965974227 613016239 /nfs/dbraw/zinc/01/62/39/613016239.db2.gz JOLKQUPSPCAXRN-UKRRQHHQSA-N 0 3 288.391 2.306 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967917311 613024077 /nfs/dbraw/zinc/02/40/77/613024077.db2.gz GIPLPTXZSOWJHY-DZGCQCFKSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)[C@@H](C)c2ccco2)C(C)(C)C1 ZINC000975033484 613037659 /nfs/dbraw/zinc/03/76/59/613037659.db2.gz DOFJASZHEFXTPB-ZFWWWQNUSA-N 0 3 288.391 2.233 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC000948427271 613162911 /nfs/dbraw/zinc/16/29/11/613162911.db2.gz CLPLWNHKDATYDL-UONOGXRCSA-N 0 3 298.377 2.368 20 30 CEEDHN C#Cc1ccc(C(=O)N2CCCN(CCC=C)CC2)cc1 ZINC000981733693 613168615 /nfs/dbraw/zinc/16/86/15/613168615.db2.gz ISXOTVGIMDNCTD-UHFFFAOYSA-N 0 3 282.387 2.392 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)C2CC(C)(C)C2)CC1 ZINC000948349533 613177947 /nfs/dbraw/zinc/17/79/47/613177947.db2.gz ORGNWENSHIJURM-HNNXBMFYSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@H](C)C2CCC2)CC1 ZINC000948541147 613178435 /nfs/dbraw/zinc/17/84/35/613178435.db2.gz CONGBKFYVBJNIB-ZBFHGGJFSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@]2(C)C=CCC2)CC1 ZINC000948695014 613179048 /nfs/dbraw/zinc/17/90/48/613179048.db2.gz WDHVETFCMXPQIM-DOTOQJQBSA-N 0 3 274.408 2.289 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc[nH]c2CC)CC1 ZINC000948348619 613179212 /nfs/dbraw/zinc/17/92/12/613179212.db2.gz FEORGAXEWQYRDE-AWEZNQCLSA-N 0 3 287.407 2.137 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C(C)=C2CCC2)C[C@H]1C ZINC000947299917 613221974 /nfs/dbraw/zinc/22/19/74/613221974.db2.gz DOGKRUHTCADJOK-IUODEOHRSA-N 0 3 260.381 2.089 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C23CCC(CC2)C3)C[C@@H]1C ZINC000947449450 613222898 /nfs/dbraw/zinc/22/28/98/613222898.db2.gz CVFGGOHTAQRUDL-UJEKJILKSA-N 0 3 274.408 2.169 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C2CCC(F)(F)CC2)C[C@@H]1C ZINC000947749549 613223577 /nfs/dbraw/zinc/22/35/77/613223577.db2.gz HPMZTIZLJHFYGR-GXTWGEPZSA-N 0 3 298.377 2.414 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccccc2CC)C[C@H]1C ZINC000947442241 613226559 /nfs/dbraw/zinc/22/65/59/613226559.db2.gz RTYRQDDWHSJFBD-CRAIPNDOSA-N 0 3 298.430 2.394 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)cc(F)c2)C[C@@H]1C ZINC000947736400 613232073 /nfs/dbraw/zinc/23/20/73/613232073.db2.gz WFZMFHWDQCPFDT-XJKSGUPXSA-N 0 3 288.366 2.350 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc[nH]c2C(C)C)C[C@@H]1C ZINC000947638328 613234482 /nfs/dbraw/zinc/23/44/82/613234482.db2.gz CEKHKVAPGAWFIY-UONOGXRCSA-N 0 3 287.407 2.354 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc[nH]c2CCC)C[C@H]1C ZINC000947638645 613234580 /nfs/dbraw/zinc/23/45/80/613234580.db2.gz GHZXLNVHTSMSPS-ZIAGYGMSSA-N 0 3 287.407 2.183 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3c(c2)CCC3)C[C@@H]1C ZINC000948015691 613236731 /nfs/dbraw/zinc/23/67/31/613236731.db2.gz GWWDSBABVVUDHO-KBXCAEBGSA-N 0 3 296.414 2.391 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2Cl)[C@@H](C)C1 ZINC000944265016 613237739 /nfs/dbraw/zinc/23/77/39/613237739.db2.gz RAILXOJCEBPHHM-SWLSCSKDSA-N 0 3 290.794 2.413 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C(C)=C2CCC2)C[C@@H]1C ZINC000947299919 613256266 /nfs/dbraw/zinc/25/62/66/613256266.db2.gz DOGKRUHTCADJOK-WFASDCNBSA-N 0 3 260.381 2.089 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2CCC(=C)CC2)[C@@H](C)C1 ZINC000942600540 613258186 /nfs/dbraw/zinc/25/81/86/613258186.db2.gz RCLMTIZUIVJNIU-HOCLYGCPSA-N 0 3 274.408 2.193 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)[C@H](C)C1 ZINC000944809629 613266906 /nfs/dbraw/zinc/26/69/06/613266906.db2.gz FKISDZPMDGYYFV-HIFRSBDPSA-N 0 3 295.386 2.241 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cc[nH]c2C(C)C)[C@@H](C)C1 ZINC000942571567 613267806 /nfs/dbraw/zinc/26/78/06/613267806.db2.gz DUTBNLDEORATJT-ZFWWWQNUSA-N 0 3 287.407 2.212 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cccc3[nH]ccc32)[C@H](C)C1 ZINC000942940332 613270950 /nfs/dbraw/zinc/27/09/50/613270950.db2.gz SLPJESICYMHSSC-CJNGLKHVSA-N 0 3 295.386 2.241 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cscc2C)[C@@H](C)C1 ZINC000941929987 613277285 /nfs/dbraw/zinc/27/72/85/613277285.db2.gz PSHHSWDIDUZYLD-FZMZJTMJSA-N 0 3 276.405 2.130 20 30 CEEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2CCC(OC)CC2)C1 ZINC000970348311 613301844 /nfs/dbraw/zinc/30/18/44/613301844.db2.gz LFHGRHYFLQFRJD-HLIUYOAVSA-N 0 3 294.439 2.204 20 30 CEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC000970450927 613302069 /nfs/dbraw/zinc/30/20/69/613302069.db2.gz VUOLWWMBFOXNKM-OUCADQQQSA-N 0 3 250.386 2.045 20 30 CEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C)[nH]c2C)C1 ZINC000970501325 613302738 /nfs/dbraw/zinc/30/27/38/613302738.db2.gz QHCJHPIXYPPWRB-LBPRGKRZSA-N 0 3 275.396 2.258 20 30 CEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1ccncn1 ZINC000969076102 613306828 /nfs/dbraw/zinc/30/68/28/613306828.db2.gz RPOMNRASKVYBRC-CQSZACIVSA-N 0 3 288.395 2.027 20 30 CEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C4CC4)cc3)[C@@H]2C1 ZINC000979097932 613310386 /nfs/dbraw/zinc/31/03/86/613310386.db2.gz BBLGFMWJAIAELA-NNZMDNLPSA-N 0 3 294.398 2.105 20 30 CEEDHN C=C(C)CN1CCCN(C(=O)c2cccc3cn[nH]c32)CC1 ZINC000981727905 613312720 /nfs/dbraw/zinc/31/27/20/613312720.db2.gz GXVBCCBUDAIKFC-UHFFFAOYSA-N 0 3 298.390 2.287 20 30 CEEDHN C=C(C)CN1CCCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000981727905 613312722 /nfs/dbraw/zinc/31/27/22/613312722.db2.gz GXVBCCBUDAIKFC-UHFFFAOYSA-N 0 3 298.390 2.287 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCCOCC2)C(C)(C)C1 ZINC000974526903 613338163 /nfs/dbraw/zinc/33/81/63/613338163.db2.gz UNFRTSDCRHMTKB-LSDHHAIUSA-N 0 3 294.439 2.206 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cncs2)C(C)(C)C1 ZINC000974696657 613341630 /nfs/dbraw/zinc/34/16/30/613341630.db2.gz KRROQZQUMXPFJK-ZDUSSCGKSA-N 0 3 293.436 2.088 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2cccnc2C)C(C)(C)C1 ZINC000974968522 613342095 /nfs/dbraw/zinc/34/20/95/613342095.db2.gz BOEOVLQKQPJRJP-HNNXBMFYSA-N 0 3 287.407 2.406 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@H]2CN(CC)CC2(C)C)C1 ZINC000975030395 613401799 /nfs/dbraw/zinc/40/17/99/613401799.db2.gz SCZMJFJDDQGSKE-LBPRGKRZSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C1CCC(C(=O)N[C@H](C)C2CN(C[C@@H](C)OC)C2)CC1 ZINC000970376842 613411511 /nfs/dbraw/zinc/41/15/11/613411511.db2.gz NWGVFYFUUNTVQH-ZIAGYGMSSA-N 0 3 294.439 2.204 20 30 CEEDHN C=CCCN1CCCN(C(=O)[C@]2(C)C=CCC2)CC1 ZINC000981775672 613496635 /nfs/dbraw/zinc/49/66/35/613496635.db2.gz WCZPTQLQVLSUCA-MRXNPFEDSA-N 0 3 262.397 2.453 20 30 CEEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)F)C1 ZINC000964624001 613514619 /nfs/dbraw/zinc/51/46/19/613514619.db2.gz NXWVLNDDLIOBTO-NEPJUHHUSA-N 0 3 256.365 2.137 20 30 CEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC000969049881 613544754 /nfs/dbraw/zinc/54/47/54/613544754.db2.gz PAXBUEODEHFBBX-HUUCEWRRSA-N 0 3 274.408 2.171 20 30 CEEDHN CC#CCN1CCC[C@H](N(C)C(=O)C=C2CCC2)CC1 ZINC000948290075 613559545 /nfs/dbraw/zinc/55/95/45/613559545.db2.gz GFQSJXMWUBYUDG-INIZCTEOSA-N 0 3 274.408 2.433 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)CC2CC(F)(F)C2)[C@H](C)C1 ZINC000942195620 613578317 /nfs/dbraw/zinc/57/83/17/613578317.db2.gz KAUUORZLJQUMLO-TZMCWYRMSA-N 0 3 298.377 2.272 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)C2CC3(CC3)C2)[C@H](C)C1 ZINC000942699760 613578403 /nfs/dbraw/zinc/57/84/03/613578403.db2.gz LXELGORXSZBTFY-UKRRQHHQSA-N 0 3 274.408 2.027 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)c2c[nH]cc2C2CC2)C[C@H]1C ZINC000947871867 613581782 /nfs/dbraw/zinc/58/17/82/613581782.db2.gz DSCHIZMSWXKHSU-UKRRQHHQSA-N 0 3 299.418 2.498 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(F)s2)C[C@H]1C ZINC000948087128 613584163 /nfs/dbraw/zinc/58/41/63/613584163.db2.gz XGINMSFGAGSKGT-VXGBXAGGSA-N 0 3 294.395 2.493 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)C(C)(C)C)C[C@@H]1C ZINC000947958606 613595628 /nfs/dbraw/zinc/59/56/28/613595628.db2.gz RLVHCMKQPHGSMS-STQMWFEESA-N 0 3 250.386 2.025 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)C2=CCCC2)C(C)(C)C1 ZINC000940671976 613596460 /nfs/dbraw/zinc/59/64/60/613596460.db2.gz DWDOJPYVMPSSGT-HNNXBMFYSA-N 0 3 274.408 2.337 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)C2CCCC2)[C@@H](C)C1 ZINC000941730276 613596826 /nfs/dbraw/zinc/59/68/26/613596826.db2.gz QTKUJHAYXFGHSZ-ZFWWWQNUSA-N 0 3 262.397 2.027 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2c(C)cncc2C)[C@@H](C)C1 ZINC000942486878 613600704 /nfs/dbraw/zinc/60/07/04/613600704.db2.gz PENGAORDCLJIFK-HOTGVXAUSA-N 0 3 299.418 2.162 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC000972671146 613616675 /nfs/dbraw/zinc/61/66/75/613616675.db2.gz OHNNESOHOOGJSZ-ZIAGYGMSSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(N(C)C)cc2)C1 ZINC000980263390 613621271 /nfs/dbraw/zinc/62/12/71/613621271.db2.gz AMASUEBFCMWTJW-MRXNPFEDSA-N 0 3 287.407 2.085 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccc(F)c2F)C1 ZINC000972195993 613621581 /nfs/dbraw/zinc/62/15/81/613621581.db2.gz ROOBZGXOBBAVHV-LLVKDONJSA-N 0 3 280.318 2.297 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccc(OC)c2F)C1 ZINC000972598230 613621812 /nfs/dbraw/zinc/62/18/12/613621812.db2.gz JVANIQQTTIFWSA-GFCCVEGCSA-N 0 3 292.354 2.167 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](C)c2ccco2)C1 ZINC000972318399 613631141 /nfs/dbraw/zinc/63/11/41/613631141.db2.gz VCLKALBAFAYESV-STQMWFEESA-N 0 3 262.353 2.102 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H](OC)C2CCCCC2)C1 ZINC000980587487 613631286 /nfs/dbraw/zinc/63/12/86/613631286.db2.gz OWXNKNHMMRLJOY-HOTGVXAUSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c(C)nsc2C)C1 ZINC000980503580 613635086 /nfs/dbraw/zinc/63/50/86/613635086.db2.gz NWGCQFBXNWQZCR-LBPRGKRZSA-N 0 3 279.409 2.092 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(C)c(CC)o2)C1 ZINC000972712593 613635113 /nfs/dbraw/zinc/63/51/13/613635113.db2.gz IPVJPVSBTQUOGY-ZDUSSCGKSA-N 0 3 276.380 2.483 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ncoc2C(C)C)C1 ZINC000972680364 613641131 /nfs/dbraw/zinc/64/11/31/613641131.db2.gz KHJJXZNICADNDD-LBPRGKRZSA-N 0 3 277.368 2.130 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2sccc2F)C1 ZINC000971469227 613641308 /nfs/dbraw/zinc/64/13/08/613641308.db2.gz ZUQCSUPLPZKPRT-JTQLQIEISA-N 0 3 268.357 2.220 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2oc(CCC)nc2C)C1 ZINC000972728621 613641373 /nfs/dbraw/zinc/64/13/73/613641373.db2.gz KQAYBFDTYSAFDZ-ZDUSSCGKSA-N 0 3 291.395 2.268 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)/C=C(/C)C3CC3)C2)C1 ZINC000981644115 613676781 /nfs/dbraw/zinc/67/67/81/613676781.db2.gz VHCFXCGOUXDVIN-UVTDQMKNSA-N 0 3 274.408 2.453 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3CC34CCC4)C2)C1 ZINC000982040404 613679242 /nfs/dbraw/zinc/67/92/42/613679242.db2.gz PWHASJZRGKVUEK-AWEZNQCLSA-N 0 3 274.408 2.287 20 30 CEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccco1 ZINC000968716310 613684715 /nfs/dbraw/zinc/68/47/15/613684715.db2.gz SAYJGJDZQBKURW-CYBMUJFWSA-N 0 3 262.353 2.440 20 30 CEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cccn1C ZINC000968756194 613684822 /nfs/dbraw/zinc/68/48/22/613684822.db2.gz OXOACOXUBDFDIJ-CQSZACIVSA-N 0 3 275.396 2.186 20 30 CEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1c[nH]nc1CC ZINC000968928591 613686312 /nfs/dbraw/zinc/68/63/12/613686312.db2.gz PIRIPANGFMIORJ-ZDUSSCGKSA-N 0 3 290.411 2.133 20 30 CEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1nccn1CC ZINC000968833522 613687441 /nfs/dbraw/zinc/68/74/41/613687441.db2.gz FGHHWNQAWIBWBN-AWEZNQCLSA-N 0 3 290.411 2.063 20 30 CEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1coc(C)n1 ZINC000968816498 613687602 /nfs/dbraw/zinc/68/76/02/613687602.db2.gz XJUSXELGFKVBEP-ZDUSSCGKSA-N 0 3 277.368 2.143 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2c(C)nsc2C)[C@H](C)C1 ZINC000945335302 613747311 /nfs/dbraw/zinc/74/73/11/613747311.db2.gz PYUGSOSASMLZNU-ZWNOBZJWSA-N 0 3 293.436 2.386 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2c(F)cncc2F)C[C@H]1C ZINC000947356667 613748638 /nfs/dbraw/zinc/74/86/38/613748638.db2.gz OWWLEMUNRNJKBM-GHMZBOCLSA-N 0 3 295.333 2.129 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc3cc[nH]c3n2)C[C@@H]1C ZINC000947412332 613753710 /nfs/dbraw/zinc/75/37/10/613753710.db2.gz OKAKRJOAAQAHEW-GXTWGEPZSA-N 0 3 298.390 2.332 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cncc(C)c2)[C@@H](C)C1 ZINC000941921763 613758190 /nfs/dbraw/zinc/75/81/90/613758190.db2.gz QWLRWBICCHOBPL-DZGCQCFKSA-N 0 3 273.380 2.016 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2csnc2C)[C@H](C)C1 ZINC000941970821 613760467 /nfs/dbraw/zinc/76/04/67/613760467.db2.gz JOALNJFUWRYJJR-ZWNOBZJWSA-N 0 3 279.409 2.078 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2onc(C)c2C)C[C@@H]1C ZINC000947430623 613763253 /nfs/dbraw/zinc/76/32/53/613763253.db2.gz SATVALMPLFDBRF-GXFFZTMASA-N 0 3 277.368 2.060 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C2CC=CC2)C(C)(C)C1 ZINC000940641486 613780417 /nfs/dbraw/zinc/78/04/17/613780417.db2.gz DOASDECRKWUOFW-AWEZNQCLSA-N 0 3 262.397 2.355 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C2CC(C)C2)C(C)(C)C1 ZINC000940665149 613780434 /nfs/dbraw/zinc/78/04/34/613780434.db2.gz RUWGFMNBVPYWKO-RUXDESIVSA-N 0 3 264.413 2.435 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)nsc2C)[C@H](C)C1 ZINC000945335301 613786024 /nfs/dbraw/zinc/78/60/24/613786024.db2.gz PYUGSOSASMLZNU-MFKMUULPSA-N 0 3 293.436 2.386 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]nc2C(C)C)[C@@H](C)C1 ZINC000942212519 613786701 /nfs/dbraw/zinc/78/67/01/613786701.db2.gz RJYSAQVANDRVFS-JSGCOSHPSA-N 0 3 290.411 2.159 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)n2C)C(C)(C)C1 ZINC000940566553 613789917 /nfs/dbraw/zinc/78/99/17/613789917.db2.gz POOJBOUFTQKZTC-HNNXBMFYSA-N 0 3 289.423 2.350 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3n[nH]cc3c2)C[C@@H]1C ZINC000947653314 613791446 /nfs/dbraw/zinc/79/14/46/613791446.db2.gz LQTGVISEAGQMIP-WFASDCNBSA-N 0 3 298.390 2.332 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccoc2C)[C@@H](C)C1 ZINC000941784633 613794540 /nfs/dbraw/zinc/79/45/40/613794540.db2.gz LYRRMJILVMCWLI-FZMZJTMJSA-N 0 3 262.353 2.214 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cnc(CC)s2)C[C@H]1C ZINC000948082550 613795180 /nfs/dbraw/zinc/79/51/80/613795180.db2.gz FFENQJIZDHQTFN-NEPJUHHUSA-N 0 3 293.436 2.474 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cncc(CC)c2)C[C@H]1C ZINC000947552052 613796212 /nfs/dbraw/zinc/79/62/12/613796212.db2.gz QYKKIOYJPXEZBY-CJNGLKHVSA-N 0 3 287.407 2.413 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2conc2C(C)C)[C@H](C)C1 ZINC000942124791 613798248 /nfs/dbraw/zinc/79/82/48/613798248.db2.gz ANKZAUZXOJWPLR-OCCSQVGLSA-N 0 3 291.395 2.424 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2conc2C2CC2)[C@@H](C)C1 ZINC000942607548 613798427 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C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1ccc[nH]1 ZINC000960333251 613871045 /nfs/dbraw/zinc/87/10/45/613871045.db2.gz GQVGWJCPRCULFN-SJLPKXTDSA-N 0 3 295.386 2.115 20 30 CEEDHN CCC(=O)N[C@@H]1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC000980832837 614874019 /nfs/dbraw/zinc/87/40/19/614874019.db2.gz IEXSRQYJWVHDFX-HZPDHXFCSA-N 0 3 285.391 2.485 20 30 CEEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1CC(C)C1 ZINC001024387235 625537797 /nfs/dbraw/zinc/53/77/97/625537797.db2.gz OITXSUMCAGYSPN-NRXISQOPSA-N 0 3 262.397 2.027 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1c(C)ccn1C ZINC001024401956 625546245 /nfs/dbraw/zinc/54/62/45/625546245.db2.gz LMVXVUHXUNARPN-OAHLLOKOSA-N 0 3 289.423 2.494 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001024423376 625551647 /nfs/dbraw/zinc/55/16/47/625551647.db2.gz FJQPTZHZYDFZDB-NEPJUHHUSA-N 0 3 272.339 2.188 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c(C)cncc2C)C1 ZINC001020390440 622550301 /nfs/dbraw/zinc/55/03/01/622550301.db2.gz LXKWHHHWOFIBNX-JOCQHMNTSA-N 0 3 293.798 2.301 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C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2cc(C)cc(C)c2)C1 ZINC000989403246 631814835 /nfs/dbraw/zinc/81/48/35/631814835.db2.gz UAJAVNKDBHQIFL-NVXWUHKLSA-N 0 3 284.403 2.058 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2cccc(Cl)c2)C1 ZINC000989408558 631818072 /nfs/dbraw/zinc/81/80/72/631818072.db2.gz QHPZSPYCCWPSGH-IUODEOHRSA-N 0 3 290.794 2.095 20 30 CEEDHN N#CC[C@@H](O)CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000809578877 632105034 /nfs/dbraw/zinc/10/50/34/632105034.db2.gz SZFXESWUXPOQKP-BMFZPTHFSA-N 0 3 274.364 2.018 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C)c(F)c2F)C1 ZINC000989468692 632177361 /nfs/dbraw/zinc/17/73/61/632177361.db2.gz FYDNEBKQWYPBHS-VXGBXAGGSA-N 0 3 292.329 2.099 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)C2CCC(F)(F)CC2)C1 ZINC000989484577 632184551 /nfs/dbraw/zinc/18/45/51/632184551.db2.gz FOQFYHBBYMEYBU-WCQYABFASA-N 0 3 284.350 2.024 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(CC)cc2)C1 ZINC000989491315 632187099 /nfs/dbraw/zinc/18/70/99/632187099.db2.gz 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/nfs/dbraw/zinc/23/54/57/632235457.db2.gz UIVWICCDIFSCCQ-XJKSGUPXSA-N 0 3 270.376 2.075 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C)c3c2CCC3)C1 ZINC000989838874 632250751 /nfs/dbraw/zinc/25/07/51/632250751.db2.gz QGFXFSBYCJSDQL-GJZGRUSLSA-N 0 3 296.414 2.310 20 30 CEEDHN C=C(Br)CNC1CCN(C(=O)CCC)CC1 ZINC000989858934 632256934 /nfs/dbraw/zinc/25/69/34/632256934.db2.gz ARCNQUQNMYPEBG-UHFFFAOYSA-N 0 3 289.217 2.276 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCc2ccc(C)s2)C1 ZINC000989863217 632257717 /nfs/dbraw/zinc/25/77/17/632257717.db2.gz DMHJQJKGUSUKDY-TZMCWYRMSA-N 0 3 290.432 2.201 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCc2ccc(C)s2)C1 ZINC000989863214 632257889 /nfs/dbraw/zinc/25/78/89/632257889.db2.gz DMHJQJKGUSUKDY-GXTWGEPZSA-N 0 3 290.432 2.201 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccncc3F)CCC[C@@H]12 ZINC000990097951 632313449 /nfs/dbraw/zinc/31/34/49/632313449.db2.gz WJSFLWXHOQYAFN-GDBMZVCRSA-N 0 3 289.354 2.134 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3oc(C)nc3C)CCC[C@H]12 ZINC000990107658 632314423 /nfs/dbraw/zinc/31/44/23/632314423.db2.gz LMSSMVAFUIXTAZ-BBRMVZONSA-N 0 3 289.379 2.204 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H]3CC3(C)C)CCC[C@H]12 ZINC000990276107 632333265 /nfs/dbraw/zinc/33/32/65/632333265.db2.gz KOPKRXNFBZGFGL-GRDNDAEWSA-N 0 3 274.408 2.169 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(F)cn3)CCC[C@@H]12 ZINC000990325775 632335932 /nfs/dbraw/zinc/33/59/32/632335932.db2.gz HHYXBSSTVZFCRU-GDBMZVCRSA-N 0 3 289.354 2.134 20 30 CEEDHN N#Cc1cc([O-])cc(C(=O)OCCC[NH+]2CCCCC2)c1 ZINC000811187187 632354971 /nfs/dbraw/zinc/35/49/71/632354971.db2.gz LXVHOINEZYYBTC-UHFFFAOYSA-N 0 3 288.347 2.297 20 30 CEEDHN C#CCN(C(=O)N[C@@H]1CC=CC[C@H]1C)C1CCN(C)CC1 ZINC000898877497 632623929 /nfs/dbraw/zinc/62/39/29/632623929.db2.gz KEOJFRDPFDABMG-GDBMZVCRSA-N 0 3 289.423 2.080 20 30 CEEDHN C=C1CCC(C(=O)N2CCN[C@@H](C(C)C)C2)CC1 ZINC000899021877 632681984 /nfs/dbraw/zinc/68/19/84/632681984.db2.gz SBVDYLFAKHSSBM-CQSZACIVSA-N 0 3 250.386 2.189 20 30 CEEDHN CC1/C(=C\c2cccc3c2OCC3)C(=O)c2ncnn21 ZINC000899382342 632816018 /nfs/dbraw/zinc/81/60/18/632816018.db2.gz ZKRLTLPVANTRFE-SZJBZFAYSA-N 0 3 267.288 2.054 20 30 CEEDHN CSc1ccc(CNC(=O)CN(C)C(C)C)cc1C#N ZINC000899378751 632820916 /nfs/dbraw/zinc/82/09/16/632820916.db2.gz LROAOOSAOIHRFL-UHFFFAOYSA-N 0 3 291.420 2.237 20 30 CEEDHN C[C@H]1C(=Nn2cnnc2)CCCN1Cc1ccccc1 ZINC000814683383 632879392 /nfs/dbraw/zinc/87/93/92/632879392.db2.gz XXORIMYRZYCCIB-ZDUSSCGKSA-N 0 3 269.352 2.167 20 30 CEEDHN c1cc2c(o1)CCCC2=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000814886120 632914140 /nfs/dbraw/zinc/91/41/40/632914140.db2.gz SCBACRJQEOHETL-BETUJISGSA-N 0 3 272.352 2.180 20 30 CEEDHN COc1cc(CN(CCOCCC#N)C2CC2)ccc1O ZINC000815077392 632955193 /nfs/dbraw/zinc/95/51/93/632955193.db2.gz LPBWZJXMVJTDDF-UHFFFAOYSA-N 0 3 290.363 2.295 20 30 CEEDHN C=CCC(F)(F)C(=O)N[C@H](CC)CN1CCCC1 ZINC000815631737 633041094 /nfs/dbraw/zinc/04/10/94/633041094.db2.gz PDRZVGSWXNOCPR-LLVKDONJSA-N 0 3 260.328 2.188 20 30 CEEDHN C=CCC(F)(F)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000816649684 633456624 /nfs/dbraw/zinc/45/66/24/633456624.db2.gz HKSJEVBVHBNRHB-NEPJUHHUSA-N 0 3 272.339 2.283 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C(\C)C(C)(C)C ZINC000818599156 633956091 /nfs/dbraw/zinc/95/60/91/633956091.db2.gz CFSCFLQVYAPRKQ-OUKQBFOZSA-N 0 3 250.386 2.050 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCCc1ccsc1 ZINC000818609017 633958813 /nfs/dbraw/zinc/95/88/13/633958813.db2.gz GLZCBOMEQGKGTG-UHFFFAOYSA-N 0 3 278.421 2.142 20 30 CEEDHN C#CCOc1ccccc1CNC[C@H](O)CC(F)(F)F ZINC000819071961 634059204 /nfs/dbraw/zinc/05/92/04/634059204.db2.gz GIZOGLOUWUZTPH-GFCCVEGCSA-N 0 3 287.281 2.102 20 30 CEEDHN N#CCC1(CNC[C@H](O)c2ccc(F)cc2F)CC1 ZINC000819281457 634126487 /nfs/dbraw/zinc/12/64/87/634126487.db2.gz URMDGXWAFGGQLP-ZDUSSCGKSA-N 0 3 266.291 2.282 20 30 CEEDHN OCCN1CCC(N=Nc2cccc(Cl)c2)CC1 ZINC000819801158 634267011 /nfs/dbraw/zinc/26/70/11/634267011.db2.gz BBXFPEVBESRVMZ-UHFFFAOYSA-N 0 3 267.760 2.196 20 30 CEEDHN OCCN1CCC(N=Nc2nccc3sccc32)CC1 ZINC000819806706 634268058 /nfs/dbraw/zinc/26/80/58/634268058.db2.gz YFDCPIIMSXMXCW-UHFFFAOYSA-N 0 3 290.392 2.152 20 30 CEEDHN OCCN1CCC(N=Nc2ccc(OC(F)F)cc2)CC1 ZINC000819807384 634268078 /nfs/dbraw/zinc/26/80/78/634268078.db2.gz QDGMDMBHALKIAU-UHFFFAOYSA-N 0 3 299.321 2.144 20 30 CEEDHN Cc1noc(C)c1CCN[C@@H](C)c1cc(C#N)ccn1 ZINC000902796694 634838362 /nfs/dbraw/zinc/83/83/62/634838362.db2.gz TYMABIOQNKSIEE-NSHDSACASA-N 0 3 270.336 2.451 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1C[C@@H](C)Cc2cc(OC)ccc21 ZINC000902926766 634900712 /nfs/dbraw/zinc/90/07/12/634900712.db2.gz NUJZQXNQXOBVFG-BLLLJJGKSA-N 0 3 288.391 2.210 20 30 CEEDHN C[C@H](N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1cc(C#N)ccn1 ZINC000903079011 634959755 /nfs/dbraw/zinc/95/97/55/634959755.db2.gz ZHVYXVVSALLNOQ-CBFZUXCHSA-N 0 3 269.348 2.027 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H]1CCO[C@]12CCOC2 ZINC000903091786 634974312 /nfs/dbraw/zinc/97/43/12/634974312.db2.gz ATIXQCZTGGYFQS-SJORKVTESA-N 0 3 289.375 2.289 20 30 CEEDHN N#CCCC[C@H](N)c1nc(-c2ccn3cncc3c2)no1 ZINC000823162812 635082851 /nfs/dbraw/zinc/08/28/51/635082851.db2.gz AZRFPQDGAJJKNK-LBPRGKRZSA-N 0 3 282.307 2.078 20 30 CEEDHN CCN(C(=O)c1cc(C#N)ccc1C)[C@H]1CCN(CC)C1 ZINC000825019377 635540459 /nfs/dbraw/zinc/54/04/59/635540459.db2.gz ZDQRGVRLYYQHAJ-HNNXBMFYSA-N 0 3 285.391 2.423 20 30 CEEDHN C#C[C@@H](CC)NCc1ccc(O[C@H]2CCOC2)cc1 ZINC000825878308 635725723 /nfs/dbraw/zinc/72/57/23/635725723.db2.gz IWGQRSKFGMKQBJ-HOCLYGCPSA-N 0 3 259.349 2.356 20 30 CEEDHN N#Cc1cscc1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000904931432 635766047 /nfs/dbraw/zinc/76/60/47/635766047.db2.gz LCFRGEVENNKHEX-HNNXBMFYSA-N 0 3 297.383 2.237 20 30 CEEDHN CCN(CC)c1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000826608750 635793974 /nfs/dbraw/zinc/79/39/74/635793974.db2.gz NQJFWVMUSCTPCU-OAHLLOKOSA-N 0 3 288.395 2.492 20 30 CEEDHN COc1ccc(/C=C2/C(=O)c3ncnn3C2C)c(OC)c1 ZINC000905079912 635796772 /nfs/dbraw/zinc/79/67/72/635796772.db2.gz HADGBEOODZFOQM-TZZQWBKVSA-N 0 3 285.303 2.136 20 30 CEEDHN COc1cc(/C=C2/C(=O)c3ncnn3C2C)cc(OC)c1 ZINC000905080566 635797665 /nfs/dbraw/zinc/79/76/65/635797665.db2.gz MPJCNERDMGUOLK-CVSYOPMASA-N 0 3 285.303 2.136 20 30 CEEDHN CC1/C(=C\c2ccc(N(C)C)c(F)c2)C(=O)c2ncnn21 ZINC000905082792 635798802 /nfs/dbraw/zinc/79/88/02/635798802.db2.gz XDNXYKCKZGRNGF-CAXXOGMASA-N 0 3 286.310 2.324 20 30 CEEDHN CC1/C(=C\c2ccc(C(F)(F)F)[nH]2)C(=O)c2ncnn21 ZINC000905087241 635801264 /nfs/dbraw/zinc/80/12/64/635801264.db2.gz WRTDDWWAAMURGO-VWOAIRDFSA-N 0 3 282.225 2.466 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(C#N)ccc2F)CC1 ZINC000826655849 635804051 /nfs/dbraw/zinc/80/40/51/635804051.db2.gz FVPFKOURKVGQPK-UHFFFAOYSA-N 0 3 287.338 2.078 20 30 CEEDHN C[C@H]1CC(NC(=O)[C@H]2CCCCN2C2CCCC2)=NO1 ZINC000827497633 636336285 /nfs/dbraw/zinc/33/62/85/636336285.db2.gz YCIARDNGCXUWKR-WCQYABFASA-N 0 3 279.384 2.022 20 30 CEEDHN C#C[C@@H](NCc1c(C2CCC2)cnn1C)C1CCOCC1 ZINC000827554482 636351988 /nfs/dbraw/zinc/35/19/88/636351988.db2.gz FKPVBDCULBCXSJ-MRXNPFEDSA-N 0 3 287.407 2.206 20 30 CEEDHN C#C[C@H](NCc1cnc2ccc(C)cn12)C1CCOCC1 ZINC000827566098 636356085 /nfs/dbraw/zinc/35/60/85/636356085.db2.gz SDJGPMLSTZGEAN-INIZCTEOSA-N 0 3 283.375 2.161 20 30 CEEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@@H]2C)c(OC)c1 ZINC000905975224 636544863 /nfs/dbraw/zinc/54/48/63/636544863.db2.gz PWCWPJQOTPODOG-DZGCQCFKSA-N 0 3 291.391 2.258 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(C3CC3)CCC2)CC1 ZINC000906594065 636802815 /nfs/dbraw/zinc/80/28/15/636802815.db2.gz WNGPZMNDKQIFCL-UHFFFAOYSA-N 0 3 262.397 2.333 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000876503291 650292967 /nfs/dbraw/zinc/29/29/67/650292967.db2.gz FLUSPMSTFJKJBV-QWRGUYRKSA-N 0 3 283.759 2.116 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000829768237 636925970 /nfs/dbraw/zinc/92/59/70/636925970.db2.gz AJQQXLYJGCMTBQ-BZUAXINKSA-N 0 3 276.424 2.226 20 30 CEEDHN C#CC[C@H]1CCCN(CCn2cnc3ccccc3c2=O)C1 ZINC000829804699 636933939 /nfs/dbraw/zinc/93/39/39/636933939.db2.gz KKPGKCFDYBHTBM-HNNXBMFYSA-N 0 3 295.386 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ZINC000876930301 650490607 /nfs/dbraw/zinc/49/06/07/650490607.db2.gz UZTJMLXZZXVWMV-JTQLQIEISA-N 0 3 270.764 2.181 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC2(CC2(F)F)CC1 ZINC000876945952 650499458 /nfs/dbraw/zinc/49/94/58/650499458.db2.gz LZQXDLQRBDTUOT-VIFPVBQESA-N 0 3 278.730 2.104 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccnn1C(C)(C)C ZINC000876976728 650515689 /nfs/dbraw/zinc/51/56/89/650515689.db2.gz RPZIOJKPCSHMJY-VIFPVBQESA-N 0 3 270.764 2.047 20 30 CEEDHN C[C@@H](NC1COC(C)(C)OC1)c1ccc(C#N)cc1 ZINC000230680489 639779459 /nfs/dbraw/zinc/77/94/59/639779459.db2.gz DPJUJHBDSIPEAC-LLVKDONJSA-N 0 3 260.337 2.360 20 30 CEEDHN C=CC[C@H](NC(=O)N1C[C@H](C)NC[C@H]1C)c1ccncc1 ZINC000841824732 639872487 /nfs/dbraw/zinc/87/24/87/639872487.db2.gz HFCUWYMQTCHTRS-GUTXKFCHSA-N 0 3 288.395 2.091 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C3CCC(F)CC3)CCC[C@@H]12 ZINC000992152863 639975279 /nfs/dbraw/zinc/97/52/79/639975279.db2.gz NTQGSQXYKUFDNC-OCUYMYNFSA-N 0 3 292.398 2.261 20 30 CEEDHN CC1(C)CCC(C)(NC(=O)[C@H](N)CCCC#N)CC1 ZINC000877034411 650540389 /nfs/dbraw/zinc/54/03/89/650540389.db2.gz HGFHKKRAXJLPOT-GFCCVEGCSA-N 0 3 265.401 2.483 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000842288168 639998828 /nfs/dbraw/zinc/99/88/28/639998828.db2.gz FPCOPKVHFWCFMY-VBQJREDUSA-N 0 3 284.359 2.414 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnoc3CC)CCC[C@@H]12 ZINC000992268275 640009188 /nfs/dbraw/zinc/00/91/88/640009188.db2.gz JFFKTJVFVCCSMI-ZBFHGGJFSA-N 0 3 289.379 2.150 20 30 CEEDHN CCC(=NN(C)[C@@H](C)CO)c1ccc(N(C)C)cc1 ZINC000842540666 640095189 /nfs/dbraw/zinc/09/51/89/640095189.db2.gz MAJGESQCSOZGOD-LBPRGKRZSA-N 0 3 263.385 2.179 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)c3cc(C)n(C)c3C)CCC[C@H]12 ZINC000992467977 640099234 /nfs/dbraw/zinc/09/92/34/640099234.db2.gz WIQLDNIUDFWCKZ-WMZOPIPTSA-N 0 3 299.418 2.002 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCC(=O)C1 ZINC000842676875 640146643 /nfs/dbraw/zinc/14/66/43/640146643.db2.gz PBLYJGDJRXAATO-JQWIXIFHSA-N 0 3 281.315 2.119 20 30 CEEDHN C#CCN(C(=O)NCc1cccc(C)c1)C1CCN(C)CC1 ZINC000914010159 640192292 /nfs/dbraw/zinc/19/22/92/640192292.db2.gz IPLQURMRGCSUHB-UHFFFAOYSA-N 0 3 299.418 2.234 20 30 CEEDHN CC[C@H](C)OCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000152305331 640202713 /nfs/dbraw/zinc/20/27/13/640202713.db2.gz GBUXXGVYYSMNCR-WCQYABFASA-N 0 3 274.320 2.149 20 30 CEEDHN CC[C@H](C)OCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000152299913 640202990 /nfs/dbraw/zinc/20/29/90/640202990.db2.gz YRJOZAFAUZPGMA-JSGCOSHPSA-N 0 3 288.347 2.458 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2cnc3cnccc3c2)C1 ZINC001015287378 640254491 /nfs/dbraw/zinc/25/44/91/640254491.db2.gz WEVZLGVYGNKUDD-OAHLLOKOSA-N 0 3 296.374 2.010 20 30 CEEDHN C=C1CCC(CNC(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000914315734 640310658 /nfs/dbraw/zinc/31/06/58/640310658.db2.gz YTSCAIGNBOTQMC-CQSZACIVSA-N 0 3 265.401 2.126 20 30 CEEDHN N#Cc1cnc(Cl)c(CN[C@H]2CC[C@H](CO)CC2)c1 ZINC000877094794 650569766 /nfs/dbraw/zinc/56/97/66/650569766.db2.gz SVWWCCUUSKIDGV-MJHDQNEOSA-N 0 3 279.771 2.247 20 30 CEEDHN C#CCN(C(=O)NCCN(C)Cc1ccccc1)C(C)C ZINC000914333362 640317452 /nfs/dbraw/zinc/31/74/52/640317452.db2.gz XIRWHWNOAGIDFV-UHFFFAOYSA-N 0 3 287.407 2.172 20 30 CEEDHN C=CCCc1noc([C@@H]2CNCc3ccccc32)n1 ZINC000843238789 640365309 /nfs/dbraw/zinc/36/53/09/640365309.db2.gz ZLXCWGMFNOOYMW-CYBMUJFWSA-N 0 3 255.321 2.423 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(F)c2)[C@@H]1C ZINC000992985730 640393923 /nfs/dbraw/zinc/39/39/23/640393923.db2.gz BZLFOMQDZOBJPP-XJKSGUPXSA-N 0 3 288.366 2.432 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C)n2C)[C@H]1C ZINC000993010379 640401492 /nfs/dbraw/zinc/40/14/92/640401492.db2.gz GAHWWJVTYRHSPV-HUUCEWRRSA-N 0 3 289.423 2.492 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccn2C)[C@H]1C ZINC000993059390 640420232 /nfs/dbraw/zinc/42/02/32/640420232.db2.gz CLUWERRBDOEVKX-ZIAGYGMSSA-N 0 3 275.396 2.184 20 30 CEEDHN C#CC1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000843426919 640426832 /nfs/dbraw/zinc/42/68/32/640426832.db2.gz NIRZZHATYLYNEP-UHFFFAOYSA-N 0 3 275.348 2.255 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)C2=COCCC2)[C@H]1C ZINC000993114831 640453281 /nfs/dbraw/zinc/45/32/81/640453281.db2.gz CDQQQFZYWFXFNJ-HIFRSBDPSA-N 0 3 278.396 2.226 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2=COCCC2)[C@H]1C ZINC000993114836 640453436 /nfs/dbraw/zinc/45/34/36/640453436.db2.gz CDQQQFZYWFXFNJ-UKRRQHHQSA-N 0 3 278.396 2.226 20 30 CEEDHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2cccc(C#N)n2)C1 ZINC000843612951 640478687 /nfs/dbraw/zinc/47/86/87/640478687.db2.gz RJJRIWKDLGIYOY-OAHLLOKOSA-N 0 3 290.342 2.104 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccn(C)c2)[C@H]1C ZINC000993195364 640539529 /nfs/dbraw/zinc/53/95/29/640539529.db2.gz FVNKHOMKCAQHAQ-UKRRQHHQSA-N 0 3 275.396 2.184 20 30 CEEDHN CC(C)N1CCCC[C@@H]1COC(=O)CSCC#N ZINC000837417478 640604983 /nfs/dbraw/zinc/60/49/83/640604983.db2.gz GIOZCUKNIVTRQB-GFCCVEGCSA-N 0 3 270.398 2.049 20 30 CEEDHN C=C[C@H](C)ONC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000844283789 640657406 /nfs/dbraw/zinc/65/74/06/640657406.db2.gz GONGBLSEBNJZAM-ZFWWWQNUSA-N 0 3 289.379 2.066 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cncc(CC)c2)[C@H]1C ZINC000993618885 640660498 /nfs/dbraw/zinc/66/04/98/640660498.db2.gz VSFVEESTWSPDKM-RHSMWYFYSA-N 0 3 299.418 2.250 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C)c(C)n2)[C@H]1C ZINC000993624040 640664554 /nfs/dbraw/zinc/66/45/54/640664554.db2.gz RAXOJUDOEPJFTN-HZPDHXFCSA-N 0 3 299.418 2.304 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc[nH]c2C2CC2)[C@H]1C ZINC000993707600 640668231 /nfs/dbraw/zinc/66/82/31/640668231.db2.gz BBJOLLJKKSVTNH-CJNGLKHVSA-N 0 3 299.418 2.498 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(Cl)[nH]2)[C@@H]1C ZINC000993767229 640675960 /nfs/dbraw/zinc/67/59/60/640675960.db2.gz XMMCREYUJWXNHX-NWDGAFQWSA-N 0 3 293.798 2.274 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2csc(C)n2)[C@H]1C ZINC000993734249 640676081 /nfs/dbraw/zinc/67/60/81/640676081.db2.gz SVXDWELIYCXMCX-YPMHNXCESA-N 0 3 291.420 2.058 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001015692300 640687770 /nfs/dbraw/zinc/68/77/70/640687770.db2.gz FYECKWDEPIAGMK-CHWSQXEVSA-N 0 3 276.405 2.065 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2oncc2C)[C@@H]1C ZINC000994160391 640696137 /nfs/dbraw/zinc/69/61/37/640696137.db2.gz NKBIXWPJEPQAON-STQMWFEESA-N 0 3 277.368 2.142 20 30 CEEDHN C=CCNC(=S)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000844593517 640779070 /nfs/dbraw/zinc/77/90/70/640779070.db2.gz GTAOTZJIUBEBKB-MRXNPFEDSA-N 0 3 289.448 2.301 20 30 CEEDHN C=CCN(Cc1cc(=O)n2ccccc2n1)C(C)C ZINC000917168561 640860028 /nfs/dbraw/zinc/86/00/28/640860028.db2.gz WBVAJGJZXLRGJN-UHFFFAOYSA-N 0 3 257.337 2.091 20 30 CEEDHN C=CCNC(=S)N1CCN(CCC(C)(C)C)CC1 ZINC000917600149 640904607 /nfs/dbraw/zinc/90/46/07/640904607.db2.gz KFBUPTOEAMDXNG-UHFFFAOYSA-N 0 3 269.458 2.101 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cnc(C)s1 ZINC000877193374 650619190 /nfs/dbraw/zinc/61/91/90/650619190.db2.gz BLWXAZHTDNRGNF-VXNVDRBHSA-N 0 3 273.789 2.099 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc(F)c1F ZINC000877202596 650624046 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C=CCN1CCC(N(C)C(=O)c2cnc3ccccn32)CC1 ZINC001005625641 643426076 /nfs/dbraw/zinc/42/60/76/643426076.db2.gz MEDUAUCOTNYLEN-UHFFFAOYSA-N 0 3 298.390 2.057 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2ccc(C)c(C)n2)CC1 ZINC001005719662 643434581 /nfs/dbraw/zinc/43/45/81/643434581.db2.gz UFWJGFXMYATBMS-UHFFFAOYSA-N 0 3 287.407 2.421 20 30 CEEDHN C[C@@H](C#N)OCCN1CC[C@@H](Oc2ccccc2)C1 ZINC000852680514 643508592 /nfs/dbraw/zinc/50/85/92/643508592.db2.gz AOLFYZMLAXZWHL-DZGCQCFKSA-N 0 3 260.337 2.068 20 30 CEEDHN N#Cc1ccc(CN[C@]23C[C@H]2COC32CCC2)s1 ZINC000923031444 643520980 /nfs/dbraw/zinc/52/09/80/643520980.db2.gz PQNBLLRNSHNSHO-IINYFYTJSA-N 0 3 260.362 2.421 20 30 CEEDHN C#CCCN(CCOC)Cc1ccccc1N(C)C ZINC000852751983 643535679 /nfs/dbraw/zinc/53/56/79/643535679.db2.gz QHZJQNAMSSHFMW-UHFFFAOYSA-N 0 3 260.381 2.224 20 30 CEEDHN CC[C@@]1(O)CCCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877691131 650852979 /nfs/dbraw/zinc/85/29/79/650852979.db2.gz JNQQQLNWGDSHDK-QGZVFWFLSA-N 0 3 287.407 2.361 20 30 CEEDHN 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CEEDHN C#CCN1CCC(C(=O)NCCCC2CCC2)CC1 ZINC000855801951 644490059 /nfs/dbraw/zinc/49/00/59/644490059.db2.gz CEIADKRFSHHCJF-UHFFFAOYSA-N 0 3 262.397 2.028 20 30 CEEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1cccc(C#N)c1 ZINC000755891737 644576308 /nfs/dbraw/zinc/57/63/08/644576308.db2.gz FFZMAIRBPVASJO-LLVKDONJSA-N 0 3 254.337 2.440 20 30 CEEDHN C#CCN1CCC(C(=O)NC2(CC(C)C)CC2)CC1 ZINC000856191299 644598246 /nfs/dbraw/zinc/59/82/46/644598246.db2.gz XUANLZCZBMUQOE-UHFFFAOYSA-N 0 3 262.397 2.027 20 30 CEEDHN C=C(C)[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)OCC ZINC000756516465 644658113 /nfs/dbraw/zinc/65/81/13/644658113.db2.gz IXDOCVJVAXGFNE-UKRRQHHQSA-N 0 3 292.379 2.125 20 30 CEEDHN C=CCNC(=S)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000757539438 644810341 /nfs/dbraw/zinc/81/03/41/644810341.db2.gz DIIYWRUNPASBSX-DZGCQCFKSA-N 0 3 289.448 2.300 20 30 CEEDHN CC(=O)[C@](C#N)(CCN(CCO)C(C)C)c1ccccc1 ZINC000877987296 650967565 /nfs/dbraw/zinc/96/75/65/650967565.db2.gz DFFBHMHQLHMZGR-QGZVFWFLSA-N 0 3 288.391 2.130 20 30 CEEDHN C=CC[C@H](C)N1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000877990041 650969122 /nfs/dbraw/zinc/96/91/22/650969122.db2.gz MJRMWFLYIWLKNV-LBPRGKRZSA-N 0 3 294.420 2.381 20 30 CEEDHN CCCCCCCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000858111808 645065259 /nfs/dbraw/zinc/06/52/59/645065259.db2.gz UAQPILZSSCYDKK-LSDHHAIUSA-N 0 3 297.443 2.119 20 30 CEEDHN C#CCOc1ccc([C@@H](C)N[C@@H](CO)CC(F)F)cc1 ZINC000760036210 645105114 /nfs/dbraw/zinc/10/51/14/645105114.db2.gz DGKLYVYEWYAKMJ-DGCLKSJQSA-N 0 3 283.318 2.365 20 30 CEEDHN C#CC[C@H](CCOC)NCc1ccncc1Cl ZINC000858334444 645122164 /nfs/dbraw/zinc/12/21/64/645122164.db2.gz NKVPHSMOZLZVNH-GFCCVEGCSA-N 0 3 252.745 2.253 20 30 CEEDHN C#CC[C@@H](COC)NCc1cncc(Br)c1C ZINC000858335066 645122731 /nfs/dbraw/zinc/12/27/31/645122731.db2.gz VFXFMEGKMGOOGD-LBPRGKRZSA-N 0 3 297.196 2.280 20 30 CEEDHN C[C@@H](NC(=O)C1(N(C)C)CCC1)c1ccc(C#N)cc1 ZINC000762974791 645485928 /nfs/dbraw/zinc/48/59/28/645485928.db2.gz QCBYPHIYOMXTNH-GFCCVEGCSA-N 0 3 271.364 2.220 20 30 CEEDHN O=[N+]([O-])c1ccccc1CC(=Nn1cnnc1)C1CC1 ZINC000763103330 645504961 /nfs/dbraw/zinc/50/49/61/645504961.db2.gz ASNJGIDZAFEPJY-UHFFFAOYSA-N 0 3 271.280 2.043 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@]34CCOC4)nc21 ZINC000764778306 645688543 /nfs/dbraw/zinc/68/85/43/645688543.db2.gz AZTNHBNBINZGKO-PEBVRCNWSA-N 0 3 295.342 2.474 20 30 CEEDHN N#CCc1cccc2c1CCN(CC[C@H]1CCOC1=O)C2 ZINC000860107002 645702343 /nfs/dbraw/zinc/70/23/43/645702343.db2.gz XNSNYMLYHFFBMJ-AWEZNQCLSA-N 0 3 284.359 2.064 20 30 CEEDHN Fc1nc(F)c(F)c(N=NC2CCN3CCC[C@@H]23)c1F ZINC000765562065 645785472 /nfs/dbraw/zinc/78/54/72/645785472.db2.gz GCJXNFJRBVQVPD-ZETCQYMHSA-N 0 3 288.248 2.274 20 30 CEEDHN CCN1C[C@H](C)N(C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1C ZINC000766255921 645865246 /nfs/dbraw/zinc/86/52/46/645865246.db2.gz ZGUJXFMIJQXILK-JKIFEVAISA-N 0 3 287.407 2.006 20 30 CEEDHN C#CCN(CC)CCOc1ccc(/C=C/C(=O)OC)cc1 ZINC000767326790 645976809 /nfs/dbraw/zinc/97/68/09/645976809.db2.gz ZCEBMNKIDNVFIB-DHZHZOJOSA-N 0 3 287.359 2.207 20 30 CEEDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)CCCCCC#N)C1 ZINC000861354634 646145796 /nfs/dbraw/zinc/14/57/96/646145796.db2.gz XTRPVFGLXXPWLU-DZGCQCFKSA-N 0 3 282.384 2.113 20 30 CEEDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(OCC#N)cc1 ZINC000768771687 646163520 /nfs/dbraw/zinc/16/35/20/646163520.db2.gz KNGCOWRQNJHJOA-UONOGXRCSA-N 0 3 273.380 2.113 20 30 CEEDHN C#CC[C@@H](COC)NCc1c(C)nn(C(C)(C)C)c1C ZINC000862548850 646494774 /nfs/dbraw/zinc/49/47/74/646494774.db2.gz OXPNYGJCPKHHHZ-AWEZNQCLSA-N 0 3 277.412 2.383 20 30 CEEDHN C#CC[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000862568205 646505931 /nfs/dbraw/zinc/50/59/31/646505931.db2.gz VCGDFZODOMAJEN-AWEZNQCLSA-N 0 3 270.376 2.234 20 30 CEEDHN CC(=NNc1ccnc(C)c1)c1cnc(C)nc1C ZINC000863159459 646657903 /nfs/dbraw/zinc/65/79/03/646657903.db2.gz SFFBYNXTWUJGBZ-UHFFFAOYSA-N 0 3 255.325 2.055 20 30 CEEDHN CC(=NNc1ccnc(C)c1)c1cc2n(n1)CCCC2 ZINC000863160341 646658064 /nfs/dbraw/zinc/65/80/64/646658064.db2.gz AFNYJVWKSMDBJP-UHFFFAOYSA-N 0 3 269.352 2.181 20 30 CEEDHN C#CC[C@@H](COC)NC[C@@H](O)c1ccc(F)cc1Cl ZINC000863589285 646763973 /nfs/dbraw/zinc/76/39/73/646763973.db2.gz LQJINFGZLBGBKL-SMDDNHRTSA-N 0 3 285.746 2.140 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCN2C(C)(C)C)cc1 ZINC000864069072 646882837 /nfs/dbraw/zinc/88/28/37/646882837.db2.gz XPUIJKKVXZAFBA-OAHLLOKOSA-N 0 3 270.376 2.271 20 30 CEEDHN Cc1ccc(CC(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000775228429 646931543 /nfs/dbraw/zinc/93/15/43/646931543.db2.gz VIWKCMNCKPGKJN-CQSZACIVSA-N 0 3 282.299 2.478 20 30 CEEDHN C#C[C@H](NCCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCCO1 ZINC000775789956 646992841 /nfs/dbraw/zinc/99/28/41/646992841.db2.gz FOVMYDHLGZYXEV-QXSJWSMHSA-N 0 3 265.397 2.352 20 30 CEEDHN C#C[C@H](NCCO[C@@H]1CCCC[C@H]1C)[C@H]1CCCO1 ZINC000775789955 646993004 /nfs/dbraw/zinc/99/30/04/646993004.db2.gz FOVMYDHLGZYXEV-QKPAOTATSA-N 0 3 265.397 2.352 20 30 CEEDHN C#C[C@@H](NCCN1CCCc2ccccc21)[C@H]1CCCO1 ZINC000775793837 646994106 /nfs/dbraw/zinc/99/41/06/646994106.db2.gz FTUNGWFGKOYAJV-SJLPKXTDSA-N 0 3 284.403 2.210 20 30 CEEDHN C#C[C@@H](NCc1cc(Cl)cc(OC)c1O)[C@@H]1CCCO1 ZINC000776002391 647015434 /nfs/dbraw/zinc/01/54/34/647015434.db2.gz SGKALNDYJLJXJK-OLZOCXBDSA-N 0 3 295.766 2.325 20 30 CEEDHN CN(C)[C@H](CNC(=O)c1coc(C#N)c1)c1ccccc1 ZINC000864481469 647026705 /nfs/dbraw/zinc/02/67/05/647026705.db2.gz ZTFKHZJFMKEOLD-OAHLLOKOSA-N 0 3 283.331 2.184 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)Cc1ccccc1CC#N ZINC000777046704 647106931 /nfs/dbraw/zinc/10/69/31/647106931.db2.gz DGEUDSSOJVQARP-UHFFFAOYSA-N 0 3 287.407 2.094 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)c2sccc2CC#N)C1 ZINC000864878729 647125602 /nfs/dbraw/zinc/12/56/02/647125602.db2.gz AMKJKWYCOHXDCP-LBPRGKRZSA-N 0 3 291.420 2.276 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN[C@H]1C[C@@H](O)C12CCC2 ZINC000865629668 647396310 /nfs/dbraw/zinc/39/63/10/647396310.db2.gz MCWXATSYJFEJAG-JKSUJKDBSA-N 0 3 285.391 2.017 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN[C@H]1C[C@H](O)C12CCC2 ZINC000865629666 647396538 /nfs/dbraw/zinc/39/65/38/647396538.db2.gz MCWXATSYJFEJAG-HOTGVXAUSA-N 0 3 285.391 2.017 20 30 CEEDHN N#Cc1ccc(CN[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c(F)c1 ZINC000865696474 647428343 /nfs/dbraw/zinc/42/83/43/647428343.db2.gz RJHGDKCSVOHVMV-UNPMEBSKSA-N 0 3 272.323 2.210 20 30 CEEDHN C=CCNC(=O)CN[C@H]1c2cc(F)ccc2CC[C@@H]1C ZINC000866327210 647738073 /nfs/dbraw/zinc/73/80/73/647738073.db2.gz XGDXRLFYSYANGJ-MEDUHNTESA-N 0 3 276.355 2.341 20 30 CEEDHN C[C@@H](CC#N)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000783938806 647779009 /nfs/dbraw/zinc/77/90/09/647779009.db2.gz YQXCJKBWUBKMQI-RYUDHWBXSA-N 0 3 267.373 2.135 20 30 CEEDHN C[C@H](C(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C1CC1 ZINC000787067959 648070347 /nfs/dbraw/zinc/07/03/47/648070347.db2.gz SXWCJTIFSQDPDU-SWLSCSKDSA-N 0 3 284.359 2.400 20 30 CEEDHN C#CCCCN(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789523315 648312649 /nfs/dbraw/zinc/31/26/49/648312649.db2.gz XTAVBZJAWGPDAR-INIZCTEOSA-N 0 3 270.376 2.133 20 30 CEEDHN Cc1cccc(Cl)c1CC(=O)C(C#N)C(=O)NC(C)C ZINC000790767972 648445769 /nfs/dbraw/zinc/44/57/69/648445769.db2.gz OZHOCORIUZGGNX-GFCCVEGCSA-N 0 3 292.766 2.424 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000791606685 648548170 /nfs/dbraw/zinc/54/81/70/648548170.db2.gz JVAUKTOFBOQELH-HZPDHXFCSA-N 0 3 284.403 2.231 20 30 CEEDHN CCCCCCCCCN1CC[C@H](S(N)(=O)=O)C1 ZINC000792265195 648631897 /nfs/dbraw/zinc/63/18/97/648631897.db2.gz JEAXCJGMOLJYOM-ZDUSSCGKSA-N 0 3 276.446 2.100 20 30 CEEDHN C=CCN(CCOC)Cc1ccc(OCC#N)cc1 ZINC000792407052 648644531 /nfs/dbraw/zinc/64/45/31/648644531.db2.gz NZSLSXKZSJTVLZ-UHFFFAOYSA-N 0 3 260.337 2.223 20 30 CEEDHN COC(=O)CCCN1CCC(=NN[C@@H](C)C(C)(C)C)CC1 ZINC000793115148 648709434 /nfs/dbraw/zinc/70/94/34/648709434.db2.gz KPWBOTWXWGOWFD-ZDUSSCGKSA-N 0 3 297.443 2.416 20 30 CEEDHN CC(CN1CCCCCC1)N=Nc1ncncc1F ZINC000793211002 648723371 /nfs/dbraw/zinc/72/33/71/648723371.db2.gz REEQJJCJSQITDV-UHFFFAOYSA-N 0 3 265.336 2.280 20 30 CEEDHN COc1ccc([C@H](C)C(C)=Nn2cnnc2)cc1OC ZINC000794448245 648868782 /nfs/dbraw/zinc/86/87/82/648868782.db2.gz MTHRCHBADVXERA-SNVBAGLBSA-N 0 3 274.324 2.323 20 30 CEEDHN CN1CCN(C(=O)c2ccccc2CC#N)CCC1(C)C ZINC000871151233 649012408 /nfs/dbraw/zinc/01/24/08/649012408.db2.gz XPMBHEYHEJPVPZ-UHFFFAOYSA-N 0 3 285.391 2.309 20 30 CEEDHN C[C@H](NC1CCN(CC#N)CC1)c1cc(O)ccc1F ZINC000872033490 649247917 /nfs/dbraw/zinc/24/79/17/649247917.db2.gz HZHUHOQWNHIHMK-NSHDSACASA-N 0 3 277.343 2.170 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(c2nnnn2C)CC1 ZINC000872095015 649272213 /nfs/dbraw/zinc/27/22/13/649272213.db2.gz QRSLQBJCCMWDKI-GFCCVEGCSA-N 0 3 296.378 2.022 20 30 CEEDHN N#Cc1ccc(F)c(CN[C@]23CCC[C@H]2OCC3)c1 ZINC000872310631 649353010 /nfs/dbraw/zinc/35/30/10/649353010.db2.gz HFSDJSRVOVLVBC-CABCVRRESA-N 0 3 260.312 2.499 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccn(CC)c2C)CC1 ZINC000874436407 649774523 /nfs/dbraw/zinc/77/45/23/649774523.db2.gz FOBUBYTVZAJUKG-UHFFFAOYSA-N 0 3 275.396 2.197 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874829535 649844093 /nfs/dbraw/zinc/84/40/93/649844093.db2.gz MAYBZILERJTJJQ-KCQAQPDRSA-N 0 3 250.386 2.284 20 30 CEEDHN C#CCCCCCN1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000878490101 651111233 /nfs/dbraw/zinc/11/12/33/651111233.db2.gz CJFVXUXZLKVMOF-ZNMIVQPWSA-N 0 3 263.381 2.454 20 30 CEEDHN N#Cc1ccc(N2CCN(CCCC3CC3)CC2)cn1 ZINC000878529053 651121750 /nfs/dbraw/zinc/12/17/50/651121750.db2.gz DSUVQBUPJXKQIR-UHFFFAOYSA-N 0 3 270.380 2.265 20 30 CEEDHN C[C@@H]1CN(C[C@@H]2CCCC(C)(C)O2)C[C@@H](C)N1CC#N ZINC000878771400 651182577 /nfs/dbraw/zinc/18/25/77/651182577.db2.gz KFHZOBJRFCALCP-KFWWJZLASA-N 0 3 279.428 2.252 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC([C@H](F)C(N)=O)CC1 ZINC000879045182 651234127 /nfs/dbraw/zinc/23/41/27/651234127.db2.gz WNTGNTVNVBWUQP-ABAIWWIYSA-N 0 3 289.354 2.155 20 30 CEEDHN C=C(C)CCN1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC000879366960 651292577 /nfs/dbraw/zinc/29/25/77/651292577.db2.gz BLYITYLPNOXWPK-NSHDSACASA-N 0 3 261.312 2.473 20 30 CEEDHN C=CCC[C@@H](O)CN1CCc2ccc(NC(C)=O)cc2C1 ZINC000880030007 651376801 /nfs/dbraw/zinc/37/68/01/651376801.db2.gz FMYHBRCHCVBLFT-QGZVFWFLSA-N 0 3 288.391 2.330 20 30 CEEDHN C=CCC[C@H](O)CN1CCc2cc(C(=O)OC)ccc2C1 ZINC000880349974 651427890 /nfs/dbraw/zinc/42/78/90/651427890.db2.gz LTWGJWQTVCQMDD-INIZCTEOSA-N 0 3 289.375 2.158 20 30 CEEDHN CC(C)(C)OC(=O)N1CCC[C@H](NCCC#N)CC1 ZINC000128919604 651657940 /nfs/dbraw/zinc/65/79/40/651657940.db2.gz JETSBRFPHVJNQQ-LBPRGKRZSA-N 0 3 267.373 2.279 20 30 CEEDHN C#CC[C@H](CO)NCc1cc(-c2ccncc2)ccc1OC ZINC000883124286 652370281 /nfs/dbraw/zinc/37/02/81/652370281.db2.gz CHIDAVVIIFQXRD-QGZVFWFLSA-N 0 3 296.370 2.231 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1c2c(nn1C)CCSC2 ZINC000883135401 652375378 /nfs/dbraw/zinc/37/53/78/652375378.db2.gz DKIYIDODWUCNPO-HIFRSBDPSA-N 0 3 293.436 2.033 20 30 CEEDHN COC[C@H](NCc1cc(C#N)ccc1F)[C@H]1CCCOC1 ZINC000883204953 652399800 /nfs/dbraw/zinc/39/98/00/652399800.db2.gz LTPUXTVIAJMGIZ-BBRMVZONSA-N 0 3 292.354 2.229 20 30 CEEDHN C=CCC[C@H](N[C@@H]1CCn2ccnc21)[C@@H]1CCCO1 ZINC000883226193 652406316 /nfs/dbraw/zinc/40/63/16/652406316.db2.gz UGIHRTYMJDQLNH-MJBXVCDLSA-N 0 3 261.369 2.431 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2ccnc(-c3ccccn3)n2)C1 ZINC000883294318 652426362 /nfs/dbraw/zinc/42/63/62/652426362.db2.gz WEWFIXDIXHVUPR-OLZOCXBDSA-N 0 3 279.347 2.320 20 30 CEEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1cn2ccccc2n1 ZINC000883391463 652452828 /nfs/dbraw/zinc/45/28/28/652452828.db2.gz LERRNPARHTWYBK-QWHCGFSZSA-N 0 3 259.353 2.312 20 30 CEEDHN Cc1ccc(C)c(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c1 ZINC000884044121 652654178 /nfs/dbraw/zinc/65/41/78/652654178.db2.gz VKOSJWLNNVZTCC-UUCFBXCCSA-N 0 3 283.375 2.381 20 30 CEEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc(Cl)cc1)C2 ZINC000884044445 652654396 /nfs/dbraw/zinc/65/43/96/652654396.db2.gz IRHMEBYLIDUGGU-LOIXOFCESA-N 0 3 289.766 2.418 20 30 CEEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc(F)cc1F)C2 ZINC000884046912 652657028 /nfs/dbraw/zinc/65/70/28/652657028.db2.gz XAYIQDRMMFIPSB-KGXJWFGYSA-N 0 3 291.301 2.043 20 30 CEEDHN CC(C)CCC[C@H](C)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884046377 652657396 /nfs/dbraw/zinc/65/73/96/652657396.db2.gz BPWAEEYNEVVWJK-UJEKJILKSA-N 0 3 291.439 2.457 20 30 CEEDHN Cc1cccc(C)c1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884048287 652659336 /nfs/dbraw/zinc/65/93/36/652659336.db2.gz GGVAWVSDCWEUKD-XOYHFGRZSA-N 0 3 283.375 2.381 20 30 CEEDHN C[C@H](CNC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccccc1 ZINC000884056474 652671102 /nfs/dbraw/zinc/67/11/02/652671102.db2.gz ZGJSOMXVIXLRHR-REUGXJQISA-N 0 3 297.402 2.046 20 30 CEEDHN Cc1cc(C#N)c(N2CCN(CC(C)C)CC2)nc1C ZINC001164653918 719332418 /nfs/dbraw/zinc/33/24/18/719332418.db2.gz IAEDPRVHMXXTEK-UHFFFAOYSA-N 0 3 272.396 2.348 20 30 CEEDHN N#CCc1cccc(N(C(=N)N)c2ccc(F)cc2)n1 ZINC001167991587 805591157 /nfs/dbraw/zinc/59/11/57/805591157.db2.gz JABSIZSXSWLWNB-UHFFFAOYSA-N 0 3 269.283 2.318 20 30 CEEDHN C=CCCCC(=O)N(C)[C@@H](C)CNCc1ccccn1 ZINC001271082647 805736210 /nfs/dbraw/zinc/73/62/10/805736210.db2.gz KVHQPVAKIDSHQK-AWEZNQCLSA-N 0 3 275.396 2.374 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)Cc2cccc(CC)c2)[C@H]1CC ZINC001087628758 805763841 /nfs/dbraw/zinc/76/38/41/805763841.db2.gz KUTFURLKGGWRAN-ZWKOTPCHSA-N 0 3 298.430 2.394 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)[C@H]2Cc3ccccc32)[C@H]1CC ZINC001087707046 805775787 /nfs/dbraw/zinc/77/57/87/805775787.db2.gz YNUVHSFCHXEHDE-OKZBNKHCSA-N 0 3 296.414 2.319 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2nc(C)oc2C)[C@H]1CC ZINC001087773029 805792147 /nfs/dbraw/zinc/79/21/47/805792147.db2.gz RFKGUORPECVZQT-UONOGXRCSA-N 0 3 291.395 2.450 20 30 CEEDHN C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC(C)C)c1 ZINC001029467063 805861549 /nfs/dbraw/zinc/86/15/49/805861549.db2.gz XQFYTSJYAHCLOE-CALCHBBNSA-N 0 3 297.402 2.008 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3CC=CCC3)C2)C1 ZINC001040062796 805888288 /nfs/dbraw/zinc/88/82/88/805888288.db2.gz GQPGKLXJHVHZSF-SJLPKXTDSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@H]3CC=CCC3)C[C@@H]2C1 ZINC001088067804 805893061 /nfs/dbraw/zinc/89/30/61/805893061.db2.gz LMCKEGZLOHTHQC-BBWFWOEESA-N 0 3 286.419 2.146 20 30 CEEDHN C=C(C)CN1CC[C@](O)(CNC(=O)CCCCC(C)C)C1 ZINC001271199339 805893833 /nfs/dbraw/zinc/89/38/33/805893833.db2.gz AFGKWXFWKPIWSG-KRWDZBQOSA-N 0 3 296.455 2.332 20 30 CEEDHN CCC(=O)N1CC[C@@H](CN(C)Cc2ccc(C#N)s2)C1 ZINC001029614523 805999632 /nfs/dbraw/zinc/99/96/32/805999632.db2.gz WQAVFTQNPAVPFP-LBPRGKRZSA-N 0 3 291.420 2.310 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C2CCCCC2)[C@H]1C ZINC001088451085 806248567 /nfs/dbraw/zinc/24/85/67/806248567.db2.gz UFGZJHQUFUZPHY-OCCSQVGLSA-N 0 3 250.386 2.332 20 30 CEEDHN C#CCCCCC(=O)N1CCC[C@H]2[C@H]1CCN2CC#CC ZINC001272017521 806280169 /nfs/dbraw/zinc/28/01/69/806280169.db2.gz YBVLBRSTTLFVND-DLBZAZTESA-N 0 3 286.419 2.269 20 30 CEEDHN COc1ccc2c(c1)C[C@H](NCc1cc(C#N)co1)C2 ZINC001168261045 806452375 /nfs/dbraw/zinc/45/23/75/806452375.db2.gz RJPJQQLLACJWBZ-CQSZACIVSA-N 0 3 268.316 2.417 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)[C@@H]1CCCC[C@H]1C ZINC001272092957 806507982 /nfs/dbraw/zinc/50/79/82/806507982.db2.gz LHWRTFGMBCVWRW-HUUCEWRRSA-N 0 3 264.413 2.226 20 30 CEEDHN CN1CC2(C1)CCN(C(=O)CC1(C#N)CCCCC1)CC2 ZINC001272127024 806557464 /nfs/dbraw/zinc/55/74/64/806557464.db2.gz AWOIMBJKGXRYEI-UHFFFAOYSA-N 0 3 289.423 2.405 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCC2(F)F)[C@H]1C ZINC001088650539 806580049 /nfs/dbraw/zinc/58/00/49/806580049.db2.gz XRVRZGRANBIJFX-UTUOFQBUSA-N 0 3 272.339 2.187 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCC34CC4)[C@@H]2C1 ZINC001075943626 806631209 /nfs/dbraw/zinc/63/12/09/806631209.db2.gz ZDFCWDALINJUGZ-SOUVJXGZSA-N 0 3 274.408 2.285 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3[nH]c(C)cc3C)[C@@H]2C1 ZINC001075951188 806680955 /nfs/dbraw/zinc/68/09/55/806680955.db2.gz OBGTUJXZWVDJBQ-LSDHHAIUSA-N 0 3 287.407 2.354 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H](C)c3ccco3)[C@@H]2C1 ZINC001076468435 806850733 /nfs/dbraw/zinc/85/07/33/806850733.db2.gz BJJBCAUDNCLLCV-QLFBSQMISA-N 0 3 288.391 2.492 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001038173224 802481741 /nfs/dbraw/zinc/48/17/41/802481741.db2.gz KMVTUEYIMNCKLY-CHWSQXEVSA-N 0 3 250.386 2.189 20 30 CEEDHN C#CCCCN1CCN(c2cccc(C#N)c2)CC1 ZINC001209269758 802492953 /nfs/dbraw/zinc/49/29/53/802492953.db2.gz PKACYUPMMNKEHR-UHFFFAOYSA-N 0 3 253.349 2.094 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3ccccc3CC)C2)C1 ZINC001041611560 802537959 /nfs/dbraw/zinc/53/79/59/802537959.db2.gz WLQSVDCXXSAYMG-LJQANCHMSA-N 0 3 296.414 2.420 20 30 CEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001266481634 802625703 /nfs/dbraw/zinc/62/57/03/802625703.db2.gz YZLDPZHCMGOZNL-BARDWOONSA-N 0 3 275.396 2.176 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3c(C)cccc3C)C2)C1 ZINC001041707598 802680489 /nfs/dbraw/zinc/68/04/89/802680489.db2.gz OGPYLGMJOBKLJO-LJQANCHMSA-N 0 3 296.414 2.475 20 30 CEEDHN C#CCN(CCC)CCNC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001266575132 802729081 /nfs/dbraw/zinc/72/90/81/802729081.db2.gz CYVHQHSXAIUDOB-HZPDHXFCSA-N 0 3 276.424 2.274 20 30 CEEDHN C=C(C)CN(CCNC(=O)C(C)(C)C(F)F)C1CC1 ZINC001266609395 802769546 /nfs/dbraw/zinc/76/95/46/802769546.db2.gz MDIJSSPDISKYSM-UHFFFAOYSA-N 0 3 274.355 2.434 20 30 CEEDHN C#CCCCC(=O)NC[C@@H]1CCCN(C[C@@H](F)CC)C1 ZINC001266746219 802876259 /nfs/dbraw/zinc/87/62/59/802876259.db2.gz DIHJKBOTUVPXFK-GJZGRUSLSA-N 0 3 282.403 2.366 20 30 CEEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)CCC(F)F ZINC001266776647 802894512 /nfs/dbraw/zinc/89/45/12/802894512.db2.gz GNDVJBDLYVGNHB-UHFFFAOYSA-N 0 3 295.333 2.152 20 30 CEEDHN C#CCNCCN(C)C(=O)CC/C=C\c1ccccc1 ZINC001266834437 802932327 /nfs/dbraw/zinc/93/23/27/802932327.db2.gz QQZMXZKHMMUMIU-XFFZJAGNSA-N 0 3 270.376 2.161 20 30 CEEDHN C#CCCN1CCCC[C@H]1CNC(=O)C(C)(C)C ZINC001266858603 802949289 /nfs/dbraw/zinc/94/92/89/802949289.db2.gz UGFISQZIMUMNNV-ZDUSSCGKSA-N 0 3 250.386 2.027 20 30 CEEDHN C=CCN1CCC2(CC1)CN(C(=O)CC(C)C)C[C@@H](C)O2 ZINC001098558281 803014426 /nfs/dbraw/zinc/01/44/26/803014426.db2.gz XCYOUZUEMUWIRX-OAHLLOKOSA-N 0 3 294.439 2.300 20 30 CEEDHN CC#CCN[C@@H](C)CNC(=O)CCCc1ccc(F)cc1 ZINC001266973308 803030591 /nfs/dbraw/zinc/03/05/91/803030591.db2.gz KCELUMUWMZTLQA-AWEZNQCLSA-N 0 3 290.382 2.266 20 30 CEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc(Cl)s2)C1 ZINC001267025829 803066263 /nfs/dbraw/zinc/06/62/63/803066263.db2.gz SESLUWDAUUJSFL-JTQLQIEISA-N 0 3 282.796 2.229 20 30 CEEDHN C=C(Cl)CNCC1(CCNC(=O)Cc2ccco2)CC1 ZINC001167501815 803072046 /nfs/dbraw/zinc/07/20/46/803072046.db2.gz KTJPNSQMESZPTF-UHFFFAOYSA-N 0 3 296.798 2.451 20 30 CEEDHN C#CCNCCN(C)C(=O)c1oc2ccccc2c1CC ZINC001267126531 803148728 /nfs/dbraw/zinc/14/87/28/803148728.db2.gz IIAVFHKKDGOKBK-UHFFFAOYSA-N 0 3 284.359 2.290 20 30 CEEDHN CN(CCNC(=O)C#CC(C)(C)C)CCc1ccccc1 ZINC001267194153 803217975 /nfs/dbraw/zinc/21/79/75/803217975.db2.gz JKIKUCAEDBAOST-UHFFFAOYSA-N 0 3 286.419 2.327 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccc(Cl)c2N)CC1 ZINC001136671195 813738114 /nfs/dbraw/zinc/73/81/14/813738114.db2.gz ZPUAVPPZAOHWIC-UHFFFAOYSA-N 0 3 293.798 2.302 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1c(F)cccc1F ZINC001267227295 803256063 /nfs/dbraw/zinc/25/60/63/803256063.db2.gz KRXHMPHWQFOKKE-UHFFFAOYSA-N 0 3 268.307 2.203 20 30 CEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)/C=C(\C)C1CC1 ZINC001267260269 803302828 /nfs/dbraw/zinc/30/28/28/803302828.db2.gz IOBMZHOQGIRYQO-GRNBYLDVSA-N 0 3 292.423 2.126 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@H](C)OCCC(C)C ZINC001267283125 803328727 /nfs/dbraw/zinc/32/87/27/803328727.db2.gz IJWWXNBECXWDCL-JKSUJKDBSA-N 0 3 294.439 2.042 20 30 CEEDHN C#CCN(CCC)CCNC(=O)C[C@H]1CCC[C@@H]1C ZINC001267314511 803358113 /nfs/dbraw/zinc/35/81/13/803358113.db2.gz QJKLQEXDDPQDEK-LSDHHAIUSA-N 0 3 264.413 2.274 20 30 CEEDHN C#CCN(CCC)CCNC(=O)c1cc(F)ccc1C ZINC001267316357 803361464 /nfs/dbraw/zinc/36/14/64/803361464.db2.gz MUEKJJJBVWJMMC-UHFFFAOYSA-N 0 3 276.355 2.209 20 30 CEEDHN C=CCN[C@H](CNC(=O)c1c[nH]c(C#N)c1)c1ccccc1 ZINC001267356617 803404323 /nfs/dbraw/zinc/40/43/23/803404323.db2.gz GJNHNGFLFRHBTD-MRXNPFEDSA-N 0 3 294.358 2.133 20 30 CEEDHN C=CC(C)(C)CC(=O)N(C)CCNC/C=C\Cl ZINC001267379074 803438871 /nfs/dbraw/zinc/43/88/71/803438871.db2.gz VPENUKSBDSZHOM-SREVYHEPSA-N 0 3 258.793 2.389 20 30 CEEDHN CC#CCNCCN(C)C(=O)[C@H](C)C(CC)CC ZINC001267395232 803457470 /nfs/dbraw/zinc/45/74/70/803457470.db2.gz PIALEGAUCBIWAD-CYBMUJFWSA-N 0 3 252.402 2.130 20 30 CEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C2=COCCC2)C1 ZINC001267449824 803470780 /nfs/dbraw/zinc/47/07/80/803470780.db2.gz GEOGYZMJVMIKHQ-INIZCTEOSA-N 0 3 290.407 2.017 20 30 CEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)CC3CC3)C(C)(C)[C@H]21 ZINC001087268933 803489734 /nfs/dbraw/zinc/48/97/34/803489734.db2.gz ZHAGLLVZEYRPNT-KBMXLJTQSA-N 0 3 274.408 2.025 20 30 CEEDHN C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC[C@H]1CNCCO1 ZINC001217896959 803490363 /nfs/dbraw/zinc/49/03/63/803490363.db2.gz MNGZFBQDPFRHAW-KBXIAJHMSA-N 0 3 253.386 2.372 20 30 CEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccco3)C(C)(C)[C@H]21 ZINC001087269640 803492199 /nfs/dbraw/zinc/49/21/99/803492199.db2.gz MRMBVOVIQHSTKC-SNPRPXQTSA-N 0 3 286.375 2.132 20 30 CEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)C3=CCCC3)C(C)(C)[C@H]21 ZINC001087278895 803501684 /nfs/dbraw/zinc/50/16/84/803501684.db2.gz OAFAOHXSZOULSO-PMPSAXMXSA-N 0 3 286.419 2.335 20 30 CEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)C=C3CCC3)C(C)(C)[C@H]21 ZINC001087279701 803501796 /nfs/dbraw/zinc/50/17/96/803501796.db2.gz CSTQLJFINBBKDI-PVAVHDDUSA-N 0 3 286.419 2.335 20 30 CEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3c[nH]cc3C)C(C)(C)[C@H]21 ZINC001087318294 803528192 /nfs/dbraw/zinc/52/81/92/803528192.db2.gz VCOOVNLKTQLGNH-BMFZPTHFSA-N 0 3 299.418 2.175 20 30 CEEDHN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCOCC1 ZINC001267704185 803666014 /nfs/dbraw/zinc/66/60/14/803666014.db2.gz IHYWILBRDDIADQ-HOTGVXAUSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 ZINC001267706408 803666712 /nfs/dbraw/zinc/66/67/12/803666712.db2.gz AQYCMIMSHKJRAV-SNPRPXQTSA-N 0 3 298.390 2.140 20 30 CEEDHN C=CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC[C@@H]1CCCO1 ZINC001267712478 803669662 /nfs/dbraw/zinc/66/96/62/803669662.db2.gz TYZROJNYGWRMFL-JYJNAYRXSA-N 0 3 292.423 2.197 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2CCN(CCCF)C2)CCC1 ZINC001267749128 803705006 /nfs/dbraw/zinc/70/50/06/803705006.db2.gz KVCJVCGJDPDFSN-CYBMUJFWSA-N 0 3 268.376 2.283 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)CCc2ccsc2)C1 ZINC001267769114 803721831 /nfs/dbraw/zinc/72/18/31/803721831.db2.gz XYYOADUIYCSPKP-OAHLLOKOSA-N 0 3 290.432 2.237 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)CCc2ccccc2C)C1 ZINC001267772197 803724706 /nfs/dbraw/zinc/72/47/06/803724706.db2.gz AXZJUMPGMJLWCE-SFHVURJKSA-N 0 3 298.430 2.484 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C[C@@H]2CCCOC2)C1 ZINC001267789963 803734202 /nfs/dbraw/zinc/73/42/02/803734202.db2.gz LIVFANQQTIDYEK-HOTGVXAUSA-N 0 3 294.439 2.302 20 30 CEEDHN OC[C@H]1CCCN1N=Cc1ccc(N2CCCC2)cc1 ZINC001117961363 814969599 /nfs/dbraw/zinc/96/95/99/814969599.db2.gz UIIIBTMEVWCUHZ-MRXNPFEDSA-N 0 3 273.380 2.077 20 30 CEEDHN CC(C)(C)SCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125078660 803980246 /nfs/dbraw/zinc/98/02/46/803980246.db2.gz RDCIORAHHOAWST-JTQLQIEISA-N 0 3 291.376 2.261 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001027503155 804094648 /nfs/dbraw/zinc/09/46/48/804094648.db2.gz KXEMVJZFQPFWCR-YVSFHVDLSA-N 0 3 288.435 2.369 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(F)ccc2C)C1 ZINC001027510941 804096250 /nfs/dbraw/zinc/09/62/50/804096250.db2.gz JLNVTWWYBLJAKW-OAHLLOKOSA-N 0 3 288.366 2.304 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001027545439 804116247 /nfs/dbraw/zinc/11/62/47/804116247.db2.gz BUZMRSCFEZCOSJ-UONOGXRCSA-N 0 3 298.377 2.368 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc3cc[nH]c32)C1 ZINC001027586105 804137325 /nfs/dbraw/zinc/13/73/25/804137325.db2.gz AXCQATAPNOHDOP-HNNXBMFYSA-N 0 3 295.386 2.338 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)Cc2ccco2)C1 ZINC001027609664 804151668 /nfs/dbraw/zinc/15/16/68/804151668.db2.gz ZZAIPKJQRMGEHM-CABCVRRESA-N 0 3 288.391 2.014 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)Cc2ccco2)C1 ZINC001027609666 804153271 /nfs/dbraw/zinc/15/32/71/804153271.db2.gz ZZAIPKJQRMGEHM-HUUCEWRRSA-N 0 3 288.391 2.014 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)COC3CCCC3)[C@@H]2C1 ZINC001075575007 804166014 /nfs/dbraw/zinc/16/60/14/804166014.db2.gz JHRMYMJDTZYWRW-GOEBONIOSA-N 0 3 292.423 2.054 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@H](C)c2ccco2)C1 ZINC001027649564 804177111 /nfs/dbraw/zinc/17/71/11/804177111.db2.gz OKFVCAWUDGPPFX-GJZGRUSLSA-N 0 3 288.391 2.329 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001027656123 804181130 /nfs/dbraw/zinc/18/11/30/804181130.db2.gz LAWLNPDLWHXCML-JYJNAYRXSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCc2cccs2)C1 ZINC001027675321 804192338 /nfs/dbraw/zinc/19/23/38/804192338.db2.gz UAWPRGLZBCWMEY-CQSZACIVSA-N 0 3 290.432 2.237 20 30 CEEDHN C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001027760625 804242656 /nfs/dbraw/zinc/24/26/56/804242656.db2.gz WGHKCMFQGAUSET-CYBMUJFWSA-N 0 3 274.364 2.163 20 30 CEEDHN C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001027760625 804242661 /nfs/dbraw/zinc/24/26/61/804242661.db2.gz WGHKCMFQGAUSET-CYBMUJFWSA-N 0 3 274.364 2.163 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CO[C@H](C)CC)CC2 ZINC001268043270 804249428 /nfs/dbraw/zinc/24/94/28/804249428.db2.gz GVZNLJYQQBPNME-OAHLLOKOSA-N 0 3 294.439 2.302 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001027891598 804323987 /nfs/dbraw/zinc/32/39/87/804323987.db2.gz BVDZXLDLSXIWPR-YESZJQIVSA-N 0 3 299.418 2.342 20 30 CEEDHN C=C(C)CCN1CCC[C@H]1CNC(=O)c1ccns1 ZINC001027914981 804338484 /nfs/dbraw/zinc/33/84/84/804338484.db2.gz ZWKCYYGKLBIRBG-LBPRGKRZSA-N 0 3 279.409 2.304 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c(C)[nH]nc1Cl ZINC001027925262 804345212 /nfs/dbraw/zinc/34/52/12/804345212.db2.gz QNZOIEVMRCIRSK-LLVKDONJSA-N 0 3 296.802 2.142 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccncc1CC ZINC001027982263 804378832 /nfs/dbraw/zinc/37/88/32/804378832.db2.gz 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/nfs/dbraw/zinc/16/62/48/809166248.db2.gz RZROAOYGLDIWCC-GUYCJALGSA-N 0 3 297.402 2.437 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(CC)ccn2)C1 ZINC001033103166 809179090 /nfs/dbraw/zinc/17/90/90/809179090.db2.gz NVYHTPROQPHVLF-HNNXBMFYSA-N 0 3 287.407 2.366 20 30 CEEDHN CC#CCNC1(CNC(=O)C=C(CC)CC)CCC1 ZINC001273062466 809192888 /nfs/dbraw/zinc/19/28/88/809192888.db2.gz WLFWNCPWBCEHCM-UHFFFAOYSA-N 0 3 262.397 2.385 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033198835 809231439 /nfs/dbraw/zinc/23/14/39/809231439.db2.gz YUAWBAVKYAIRDC-LSDHHAIUSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(C)c(F)c2)C1 ZINC001033242838 809246547 /nfs/dbraw/zinc/24/65/47/809246547.db2.gz NVMZXVBACPHCCO-HNNXBMFYSA-N 0 3 288.366 2.304 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cn(C(C)C)cn2)C1 ZINC001033297911 809262214 /nfs/dbraw/zinc/26/22/14/809262214.db2.gz VWASDEBCYMIWTD-CQSZACIVSA-N 0 3 290.411 2.186 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033433280 809298722 /nfs/dbraw/zinc/29/87/22/809298722.db2.gz MXMZXECXFIWWHF-BZUAXINKSA-N 0 3 276.424 2.225 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(C=C)cc2)C1 ZINC001033452983 809307997 /nfs/dbraw/zinc/30/79/97/809307997.db2.gz KPRVLTXTZYMCRN-KRWDZBQOSA-N 0 3 282.387 2.499 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001033488723 809316902 /nfs/dbraw/zinc/31/69/02/809316902.db2.gz YJOPILSGZDPPBT-HUUCEWRRSA-N 0 3 288.391 2.248 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(OC)cc2)C1 ZINC001033607624 809358367 /nfs/dbraw/zinc/35/83/67/809358367.db2.gz ZVJIROXOPPBDFZ-OAHLLOKOSA-N 0 3 288.391 2.418 20 30 CEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc(Cl)no2)C1 ZINC001033609840 809361195 /nfs/dbraw/zinc/36/11/95/809361195.db2.gz PHGVVEPJXASETQ-JTQLQIEISA-N 0 3 283.759 2.050 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc[nH]c2)C1 ZINC001033840254 809429745 /nfs/dbraw/zinc/42/97/45/809429745.db2.gz YXOMNBDCDXUDMP-AWEZNQCLSA-N 0 3 261.369 2.127 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001033858698 809436340 /nfs/dbraw/zinc/43/63/40/809436340.db2.gz ZDXRMTFIFGZWBK-UONOGXRCSA-N 0 3 298.377 2.368 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001034106080 809514047 /nfs/dbraw/zinc/51/40/47/809514047.db2.gz FNFNJLYGWHZMLZ-LBPRGKRZSA-N 0 3 281.787 2.438 20 30 CEEDHN C#C[C@H](NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)C(C)(C)C ZINC000702255857 809523355 /nfs/dbraw/zinc/52/33/55/809523355.db2.gz KDJCMDMPONLYAQ-XUXIUFHCSA-N 0 3 264.413 2.412 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnn(CC)c2)C1 ZINC001034135691 809528654 /nfs/dbraw/zinc/52/86/54/809528654.db2.gz DJGFOHDCNSISKJ-HNNXBMFYSA-N 0 3 290.411 2.063 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2c(C)ccn2C)C1 ZINC001034180939 809546669 /nfs/dbraw/zinc/54/66/69/809546669.db2.gz NBXONZWTQJDJEF-CQSZACIVSA-N 0 3 275.396 2.104 20 30 CEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc3occc3[nH]2)C1 ZINC001034230090 809557315 /nfs/dbraw/zinc/55/73/15/809557315.db2.gz BBHDDYITKVNLBC-CYBMUJFWSA-N 0 3 299.374 2.369 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@H]1CCCCN(CC=C)C1 ZINC001034247936 809560477 /nfs/dbraw/zinc/56/04/77/809560477.db2.gz UTIKJCKZVCHVRP-HNNXBMFYSA-N 0 3 287.407 2.444 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001034255869 809563059 /nfs/dbraw/zinc/56/30/59/809563059.db2.gz DYKRCRYVSMULCH-OAGGEKHMSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001034259623 809563455 /nfs/dbraw/zinc/56/34/55/809563455.db2.gz YFNNJQRMSSADEG-CQSZACIVSA-N 0 3 262.397 2.333 20 30 CEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(C)c(C)n2)C1 ZINC001034312278 809576486 /nfs/dbraw/zinc/57/64/86/809576486.db2.gz OSBYQTUAYNFZEI-MRXNPFEDSA-N 0 3 299.418 2.306 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001034380669 809593629 /nfs/dbraw/zinc/59/36/29/809593629.db2.gz TYBQLKOZFXADIA-NVXWUHKLSA-N 0 3 284.403 2.483 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001034409830 809600967 /nfs/dbraw/zinc/60/09/67/809600967.db2.gz VEIIWJALRJSCQF-RBSFLKMASA-N 0 3 280.412 2.101 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CCC2(CN(CCOC)C2)CC1 ZINC001035761835 809811383 /nfs/dbraw/zinc/81/13/83/809811383.db2.gz DIJXPZUPPQDIFB-UHFFFAOYSA-N 0 3 294.439 2.160 20 30 CEEDHN N#Cc1csc(CN[C@@H](C2CCC2)[C@H]2CCOC2)n1 ZINC000711859392 810100598 /nfs/dbraw/zinc/10/05/98/810100598.db2.gz WHLBMAKTDFJKBD-FZMZJTMJSA-N 0 3 277.393 2.310 20 30 CEEDHN C=CC1CCN(c2nnc([C@H]3CCCN(C)C3)n2C)CC1 ZINC001121525039 815341552 /nfs/dbraw/zinc/34/15/52/815341552.db2.gz SZNQGWAWLKHDLG-AWEZNQCLSA-N 0 3 289.427 2.027 20 30 CEEDHN C=CC(C)(C)C(=O)NCCCNCc1ncc(C)s1 ZINC001163953220 810231662 /nfs/dbraw/zinc/23/16/62/810231662.db2.gz LRVYSHFFMYWNTJ-UHFFFAOYSA-N 0 3 281.425 2.260 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001079818404 810233943 /nfs/dbraw/zinc/23/39/43/810233943.db2.gz KZWSKXKKJRBGLG-FRRDWIJNSA-N 0 3 286.366 2.434 20 30 CEEDHN Cc1cc(CN)nn1-c1nc(C(C)(C)C)ccc1C#N ZINC001163981932 810238080 /nfs/dbraw/zinc/23/80/80/810238080.db2.gz VHGDWIMABXGDQD-UHFFFAOYSA-N 0 3 269.352 2.204 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001080065103 810247433 /nfs/dbraw/zinc/24/74/33/810247433.db2.gz ADZNPMPXKCFOFY-TZMCWYRMSA-N 0 3 290.432 2.384 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2occc2Cl)C1 ZINC001080395962 810274365 /nfs/dbraw/zinc/27/43/65/810274365.db2.gz TZGUTSNBJKHWBG-ZYHUDNBSSA-N 0 3 280.755 2.006 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001080406274 810279267 /nfs/dbraw/zinc/27/92/67/810279267.db2.gz PZHIRJJVXXNZBE-DLTWYDFYSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001080442926 810282409 /nfs/dbraw/zinc/28/24/09/810282409.db2.gz STGKAKAYBFOZNU-CZUORRHYSA-N 0 3 299.418 2.356 20 30 CEEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001080539545 810290749 /nfs/dbraw/zinc/29/07/49/810290749.db2.gz LJBDLBOVMKJMQL-BXUZGUMPSA-N 0 3 289.379 2.178 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001015455715 810292813 /nfs/dbraw/zinc/29/28/13/810292813.db2.gz JEHNNRYWCHYFTJ-LBPRGKRZSA-N 0 3 287.388 2.057 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2cc3ccccc3nn2)C1 ZINC001015463048 810294738 /nfs/dbraw/zinc/29/47/38/810294738.db2.gz UPDWTMUDERMCOG-AWEZNQCLSA-N 0 3 296.374 2.010 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(OC)cs2)C1 ZINC001015494055 810296489 /nfs/dbraw/zinc/29/64/89/810296489.db2.gz WLNYVVGRJAAAKK-LLVKDONJSA-N 0 3 280.393 2.137 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CC=C(C)C)C[C@H]2C)nc1 ZINC001080808031 810308182 /nfs/dbraw/zinc/30/81/82/810308182.db2.gz FWBXEJIUEUDPSC-RHSMWYFYSA-N 0 3 297.402 2.079 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001081006930 810321834 /nfs/dbraw/zinc/32/18/34/810321834.db2.gz VEQPFIDAQMFDCP-NVDSNGLKSA-N 0 3 276.424 2.435 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001015650194 810323007 /nfs/dbraw/zinc/32/30/07/810323007.db2.gz MGUZFNSCRIPMGM-CQSZACIVSA-N 0 3 262.397 2.171 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001015652103 810324445 /nfs/dbraw/zinc/32/44/45/810324445.db2.gz VUIDDRVBUDOJBX-AWEZNQCLSA-N 0 3 290.794 2.476 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)/C=C\C2CC2)C[C@H]1c1ccccc1 ZINC001081101157 810330845 /nfs/dbraw/zinc/33/08/45/810330845.db2.gz NMXXGQQQMWCJFM-FWGLOVMOSA-N 0 3 294.398 2.170 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)CC2(C)CC2)C[C@H]1c1ccccc1 ZINC001081146820 810332637 /nfs/dbraw/zinc/33/26/37/810332637.db2.gz QRNSEPBRMAVFIE-DLBZAZTESA-N 0 3 296.414 2.394 20 30 CEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001015703408 810335689 /nfs/dbraw/zinc/33/56/89/810335689.db2.gz IBECQMUNEYRCMV-CYBMUJFWSA-N 0 3 289.379 2.322 20 30 CEEDHN CCCCCCCC[C@H](N)C(=O)N[C@@H](C)c1nncn1C ZINC001121909536 815365592 /nfs/dbraw/zinc/36/55/92/815365592.db2.gz UQMIAKQRNYAFMU-STQMWFEESA-N 0 3 295.431 2.070 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001016040848 810389896 /nfs/dbraw/zinc/38/98/96/810389896.db2.gz MCPMWYRFECZGDU-JYJNAYRXSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001016101056 810400585 /nfs/dbraw/zinc/40/05/85/810400585.db2.gz MTSPIVRYBAMFJR-MRXNPFEDSA-N 0 3 270.376 2.131 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001016320236 810423136 /nfs/dbraw/zinc/42/31/36/810423136.db2.gz LMAKCDHKMRYRJU-HZPDHXFCSA-N 0 3 284.403 2.312 20 30 CEEDHN C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccccc2[O-])CC1 ZINC001016516100 810448431 /nfs/dbraw/zinc/44/84/31/810448431.db2.gz PHZYWIKXDCLXPY-HNNXBMFYSA-N 0 3 286.375 2.163 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)/C=C\C3CC3)[C@@H]2C1 ZINC001084248338 810448449 /nfs/dbraw/zinc/44/84/49/810448449.db2.gz LUXSBXARGRGNJI-JBZXTQMFSA-N 0 3 260.381 2.061 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCc3ccoc3)[C@@H]2C1 ZINC001084269159 810457806 /nfs/dbraw/zinc/45/78/06/810457806.db2.gz LBVAAZSQOXWNFS-HZPDHXFCSA-N 0 3 288.391 2.321 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CCS[C@H](C)[C@@H]1C ZINC001121959572 815370669 /nfs/dbraw/zinc/37/06/69/815370669.db2.gz KMFIRFWRFWQHSY-TUAOUCFPSA-N 0 3 256.415 2.022 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2CCC2(F)F)CC1 ZINC001016682306 810461034 /nfs/dbraw/zinc/46/10/34/810461034.db2.gz OVDQCAKCSZKLBS-OLZOCXBDSA-N 0 3 296.361 2.026 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2[nH]c(C)cc2C)CC1 ZINC001016689485 810463016 /nfs/dbraw/zinc/46/30/16/810463016.db2.gz BWWYBZOKYLUPBK-HNNXBMFYSA-N 0 3 299.418 2.239 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC001016740587 810464221 /nfs/dbraw/zinc/46/42/21/810464221.db2.gz KRXGMZRRXKEHOD-JYJNAYRXSA-N 0 3 286.419 2.027 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C[C@H]2CC=CCC2)CC1 ZINC001016767890 810465780 /nfs/dbraw/zinc/46/57/80/810465780.db2.gz BSJFDFLWLTYXCU-JKSUJKDBSA-N 0 3 286.419 2.337 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@H]2CC=CCC2)CC1 ZINC001016767888 810466232 /nfs/dbraw/zinc/46/62/32/810466232.db2.gz BSJFDFLWLTYXCU-HOTGVXAUSA-N 0 3 286.419 2.337 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001016838177 810472730 /nfs/dbraw/zinc/47/27/30/810472730.db2.gz IQVVYMTYDPLXTF-KFWWJZLASA-N 0 3 274.408 2.027 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)C(F)(F)F)[C@@H]2C1 ZINC001084581826 810481232 /nfs/dbraw/zinc/48/12/32/810481232.db2.gz WLUXHUKGBKODHA-IJLUTSLNSA-N 0 3 290.329 2.294 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)OC ZINC001017406912 810519166 /nfs/dbraw/zinc/51/91/66/810519166.db2.gz XXZUXHFWVCREMW-QLFBSQMISA-N 0 3 280.412 2.053 20 30 CEEDHN C=C[C@H](CC)CC(=O)Nc1cnc2c(c1)CNCC2 ZINC001122009917 815376619 /nfs/dbraw/zinc/37/66/19/815376619.db2.gz HDAQUYWUFCDMTF-LLVKDONJSA-N 0 3 259.353 2.268 20 30 CEEDHN CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017536145 810530697 /nfs/dbraw/zinc/53/06/97/810530697.db2.gz QWQLTIALOTWYIS-IYBDPMFKSA-N 0 3 274.408 2.121 20 30 CEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)OCC ZINC001098927908 810543145 /nfs/dbraw/zinc/54/31/45/810543145.db2.gz QFRGQGTWUSCBKZ-HUUCEWRRSA-N 0 3 294.439 2.042 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccncc1 ZINC001017695535 810544570 /nfs/dbraw/zinc/54/45/70/810544570.db2.gz KLDVUTYWHGAADE-CALCHBBNSA-N 0 3 299.418 2.266 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)C1 ZINC001019321775 810699684 /nfs/dbraw/zinc/69/96/84/810699684.db2.gz QBXWXJGGIONJSR-DOMZBBRYSA-N 0 3 290.794 2.267 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCc1c(F)cc(F)cc1F ZINC001122180490 815390672 /nfs/dbraw/zinc/39/06/72/815390672.db2.gz AFIDIHCAZRLKMB-CYBMUJFWSA-N 0 3 299.296 2.131 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001019683430 810728066 /nfs/dbraw/zinc/72/80/66/810728066.db2.gz GLVKGNAFCOZXDC-KKUMJFAQSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc3ccccc3c2)C1 ZINC001019698622 810730716 /nfs/dbraw/zinc/73/07/16/810730716.db2.gz JKLZGWIWFZJEKY-KRWDZBQOSA-N 0 3 278.355 2.277 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCc1cc(F)ccc1OC ZINC001122215540 815393462 /nfs/dbraw/zinc/39/34/62/815393462.db2.gz ZFDZLPIKMQAHEN-AWEZNQCLSA-N 0 3 294.370 2.177 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)on1 ZINC001085473803 810778319 /nfs/dbraw/zinc/77/83/19/810778319.db2.gz OCQWAABSKFXBRZ-CYBMUJFWSA-N 0 3 277.368 2.096 20 30 CEEDHN C=C(C)CN1CC([C@H](C)NC(=O)C[C@H](C)CC)C1 ZINC001276376025 810783798 /nfs/dbraw/zinc/78/37/98/810783798.db2.gz KDEYGGBIJWAGNX-OLZOCXBDSA-N 0 3 252.402 2.435 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1C ZINC001085522963 810802827 /nfs/dbraw/zinc/80/28/27/810802827.db2.gz ALCFRGCCDWMMCG-CQSZACIVSA-N 0 3 290.411 2.139 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001085537466 810815561 /nfs/dbraw/zinc/81/55/61/810815561.db2.gz ZGOBHBNBVQFVRG-BYNSBNAKSA-N 0 3 262.397 2.141 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001038274084 810815645 /nfs/dbraw/zinc/81/56/45/810815645.db2.gz VQFQWTNZNVLZJS-FXUDXRNXSA-N 0 3 274.408 2.355 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001038408917 810836253 /nfs/dbraw/zinc/83/62/53/810836253.db2.gz KFKAALNQUWPRSA-KGLIPLIRSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnc2[nH]ccc2c1 ZINC001085655256 810866490 /nfs/dbraw/zinc/86/64/90/810866490.db2.gz LCPZKWCCZWGHSI-OAHLLOKOSA-N 0 3 298.390 2.237 20 30 CEEDHN C=C1CCC(C(=O)NC[C@H]2CCN2CCC)CC1 ZINC001038667868 810884601 /nfs/dbraw/zinc/88/46/01/810884601.db2.gz QDDBIVRNMBBXCL-CQSZACIVSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cnnc2ccccc21 ZINC001038748863 810905944 /nfs/dbraw/zinc/90/59/44/810905944.db2.gz IQIWMPVXBLKIAV-ZDUSSCGKSA-N 0 3 296.374 2.010 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc(OC)cc1 ZINC001038956621 810955445 /nfs/dbraw/zinc/95/54/45/810955445.db2.gz ODCXWZHVNAQXEF-HNNXBMFYSA-N 0 3 288.391 2.466 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(OC)cc1 ZINC001038956625 810956319 /nfs/dbraw/zinc/95/63/19/810956319.db2.gz ODCXWZHVNAQXEF-OAHLLOKOSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCc1ccc(OCC)cc1 ZINC001122439043 815411628 /nfs/dbraw/zinc/41/16/28/815411628.db2.gz HBKARCUUSIDXJI-INIZCTEOSA-N 0 3 290.407 2.428 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccoc2)C1 ZINC001086029080 811011216 /nfs/dbraw/zinc/01/12/16/811011216.db2.gz UOHPIJGXXMJOQI-KLPPZKSPSA-N 0 3 268.744 2.130 20 30 CEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)c3ccccn3)C2)C1 ZINC001040039072 811078399 /nfs/dbraw/zinc/07/83/99/811078399.db2.gz DNCHHOANOIGURF-GOSISDBHSA-N 0 3 297.402 2.033 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)/C=C(\C)C3CC3)C2)C1 ZINC001040094565 811086870 /nfs/dbraw/zinc/08/68/70/811086870.db2.gz XJWQAMKUSZJCGW-NKAIQICCSA-N 0 3 286.419 2.290 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001122511351 815420154 /nfs/dbraw/zinc/42/01/54/815420154.db2.gz MVLMDFLJGKKCQW-ULQDDVLXSA-N 0 3 299.418 2.160 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@H](F)CC)C2)C1 ZINC001040330674 811102302 /nfs/dbraw/zinc/10/23/02/811102302.db2.gz IDXVOLKNGAGPNN-ZBFHGGJFSA-N 0 3 280.387 2.072 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2CC(F)(F)C2)C1 ZINC001086335726 811107637 /nfs/dbraw/zinc/10/76/37/811107637.db2.gz AYJBBOBXWATASK-HOMQSWHASA-N 0 3 292.757 2.269 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)/C=C(\C)C3CC3)C2)CC1 ZINC001040620609 811120040 /nfs/dbraw/zinc/12/00/40/811120040.db2.gz FKIASHAKPYMZRP-FYWRMAATSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1 ZINC001040839133 811125516 /nfs/dbraw/zinc/12/55/16/811125516.db2.gz BIBJUNAJFJFNBQ-HZPDHXFCSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3cccs3)C2)C1 ZINC001041034668 811136461 /nfs/dbraw/zinc/13/64/61/811136461.db2.gz WOPYSJHIXAQJRW-INIZCTEOSA-N 0 3 288.416 2.309 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H](F)C2)C1 ZINC001086458173 811149685 /nfs/dbraw/zinc/14/96/85/811149685.db2.gz GOVDHNKDFAIATF-CYDGBPFRSA-N 0 3 288.794 2.362 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)C3(C4CC4)CC3)C2)C1 ZINC001041389148 811165012 /nfs/dbraw/zinc/16/50/12/811165012.db2.gz CSYCWZGJGZMWGT-KRWDZBQOSA-N 0 3 286.419 2.124 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)Cc3ccc(C)cc3)C2)C1 ZINC001041452367 811167373 /nfs/dbraw/zinc/16/73/73/811167373.db2.gz VFFCPUIKCBBENX-LJQANCHMSA-N 0 3 296.414 2.095 20 30 CEEDHN CCC[C@@H](CC)C(=O)NC[C@@H](C)N(CC)CC#CCOC ZINC001156046431 811182579 /nfs/dbraw/zinc/18/25/79/811182579.db2.gz NQYSMKRMEAANPQ-HZPDHXFCSA-N 0 3 296.455 2.289 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@H]3CC34CCC4)C2)C1 ZINC001041717437 811188296 /nfs/dbraw/zinc/18/82/96/811188296.db2.gz QSWWMQCGGGSEQJ-WBVHZDCISA-N 0 3 286.419 2.124 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3cccn3CC)C2)C1 ZINC001041835586 811195217 /nfs/dbraw/zinc/19/52/17/811195217.db2.gz UZPXSHFXLVTBFL-SFHVURJKSA-N 0 3 299.418 2.069 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3cscn3)C[C@@H]21 ZINC001041967023 811224895 /nfs/dbraw/zinc/22/48/95/811224895.db2.gz IHCGFONMIXJZHF-OCCSQVGLSA-N 0 3 291.420 2.256 20 30 CEEDHN C#Cc1ccc(C(=O)N2CC[C@H]3CCN(CC=C)[C@@H]3C2)cc1 ZINC001042178299 811252003 /nfs/dbraw/zinc/25/20/03/811252003.db2.gz DEMFEVGKJOGPSX-SJLPKXTDSA-N 0 3 294.398 2.390 20 30 CEEDHN C#CCN1CC[C@H]2CCN(C(=O)Cc3cccc(C)c3)C[C@H]21 ZINC001042212455 811256050 /nfs/dbraw/zinc/25/60/50/811256050.db2.gz DPVQVZRGEROSOU-ZWKOTPCHSA-N 0 3 296.414 2.094 20 30 CEEDHN C#CCN1CC[C@@H]2CCN(C(=O)CC3CC(C)(C)C3)C[C@H]21 ZINC001042203348 811257325 /nfs/dbraw/zinc/25/73/25/811257325.db2.gz MGIJAWZZXNRATP-HZPDHXFCSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(CF)CCC3)C[C@@H]21 ZINC001042240617 811260439 /nfs/dbraw/zinc/26/04/39/811260439.db2.gz MICMJSNBMBTMFW-KGLIPLIRSA-N 0 3 280.387 2.235 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)c3cc(C)[nH]c3C)C[C@H]21 ZINC001042249224 811264180 /nfs/dbraw/zinc/26/41/80/811264180.db2.gz HQWMLZMTJSCOQR-DOTOQJQBSA-N 0 3 299.418 2.191 20 30 CEEDHN N#CC(C(=O)CCc1nccs1)c1cccc(F)n1 ZINC001122714955 815437819 /nfs/dbraw/zinc/43/78/19/815437819.db2.gz RVTYGGKEGQEVME-VIFPVBQESA-N 0 3 275.308 2.486 20 30 CEEDHN CC(C)OCC[C@@H](C)NC(=N)c1ccc(F)cn1 ZINC001172448710 815440778 /nfs/dbraw/zinc/44/07/78/815440778.db2.gz NXUSIOPLTBMEQM-SNVBAGLBSA-N 0 3 253.321 2.130 20 30 CEEDHN C=CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001044477708 811498763 /nfs/dbraw/zinc/49/87/63/811498763.db2.gz GHSYPFUOMWTNDR-CHWSQXEVSA-N 0 3 274.364 2.161 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]13C[C@@H]1CCCC3)C2 ZINC001095984763 811504883 /nfs/dbraw/zinc/50/48/83/811504883.db2.gz QVANDKDHJPZHDL-IWSXDTNSSA-N 0 3 286.419 2.312 20 30 CEEDHN CC(C)Oc1cc(CN[C@@H](C)CCCC#N)ncn1 ZINC001172492987 815453314 /nfs/dbraw/zinc/45/33/14/815453314.db2.gz QLNMDKXYKYIPQE-LBPRGKRZSA-N 0 3 262.357 2.436 20 30 CEEDHN CCN(CC)C(=O)C[C@@H](C)NC(=N)c1ccc(Cl)cn1 ZINC001169436043 811522861 /nfs/dbraw/zinc/52/28/61/811522861.db2.gz UXJZSICWGKDWFS-SNVBAGLBSA-N 0 3 296.802 2.087 20 30 CEEDHN CC(C)C(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001044931393 811559404 /nfs/dbraw/zinc/55/94/04/811559404.db2.gz XWCDBNWPMBLUCF-LBPRGKRZSA-N 0 3 291.420 2.356 20 30 CEEDHN CCCNC(=O)[C@H]1CCCCN1[C@H](C)CCCC#N ZINC001172507659 815457289 /nfs/dbraw/zinc/45/72/89/815457289.db2.gz XVCAMOBWLDHHGM-ZIAGYGMSSA-N 0 3 265.401 2.449 20 30 CEEDHN COc1ccc(N2CCN([C@@H](C)CCCC#N)CC2)nc1 ZINC001172509832 815458760 /nfs/dbraw/zinc/45/87/60/815458760.db2.gz RGHFQWPVJBMZMS-AWEZNQCLSA-N 0 3 288.395 2.295 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2[nH]ccc2C)CC1 ZINC001045425044 811609743 /nfs/dbraw/zinc/60/97/43/811609743.db2.gz MEWDKMVFRXLCEV-UHFFFAOYSA-N 0 3 261.369 2.093 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2CC[C@@H](CC)O2)CC1 ZINC001045454062 811613333 /nfs/dbraw/zinc/61/33/33/811613333.db2.gz ZMKRDARMXPVAJW-KGLIPLIRSA-N 0 3 280.412 2.101 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001045459955 811614406 /nfs/dbraw/zinc/61/44/06/811614406.db2.gz LKKNFRCYLWEESN-ZDUSSCGKSA-N 0 3 298.377 2.416 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001045486826 811618005 /nfs/dbraw/zinc/61/80/05/811618005.db2.gz PNYWPXUBQQUGNQ-ARFHVFGLSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cc(C)co2)CC1 ZINC001045529309 811622565 /nfs/dbraw/zinc/62/25/65/811622565.db2.gz KTQIZLNCMAMIPR-UHFFFAOYSA-N 0 3 262.353 2.358 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2ccccc2OC)CC1 ZINC001045626632 811633870 /nfs/dbraw/zinc/63/38/70/811633870.db2.gz KZVUYHMBHAVKII-UHFFFAOYSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1 ZINC001045651338 811637059 /nfs/dbraw/zinc/63/70/59/811637059.db2.gz JQJQRUGFYORAHH-GUWHFVFCSA-N 0 3 288.435 2.435 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)CC)C2 ZINC001045920157 811665414 /nfs/dbraw/zinc/66/54/14/811665414.db2.gz ZWHYHQYPLHYADC-DOTOQJQBSA-N 0 3 276.424 2.370 20 30 CEEDHN C=C[C@@H](CO)Nc1nc(N2CCOCC2)cc2ccccc21 ZINC001169779580 811668463 /nfs/dbraw/zinc/66/84/63/811668463.db2.gz MOOUTHSKPQDDRL-AWEZNQCLSA-N 0 3 299.374 2.030 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccn(C(F)F)n2)C1 ZINC001046347237 811740137 /nfs/dbraw/zinc/74/01/37/811740137.db2.gz PIOWXDWTFRSIEC-CQSZACIVSA-N 0 3 298.337 2.049 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)C2C=CC=CC=C2)C1 ZINC001046348218 811740762 /nfs/dbraw/zinc/74/07/62/811740762.db2.gz IUPVNVVRJNWDLE-KRWDZBQOSA-N 0 3 272.392 2.442 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnoc1CC)C2 ZINC001096091409 811742488 /nfs/dbraw/zinc/74/24/88/811742488.db2.gz CYMXGICVGGJZRA-XBFCOCLRSA-N 0 3 289.379 2.148 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001046367639 811744294 /nfs/dbraw/zinc/74/42/94/811744294.db2.gz MNYWWAAMECZIHS-DGCLKSJQSA-N 0 3 272.339 2.188 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ncc3ccccn32)C1 ZINC001046482816 811761328 /nfs/dbraw/zinc/76/13/28/811761328.db2.gz MTDSGMNVOBITAU-KRWDZBQOSA-N 0 3 298.390 2.105 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001046505289 811765119 /nfs/dbraw/zinc/76/51/19/811765119.db2.gz FJMIDHKEABWCJZ-KYHPRHEASA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001046580500 811779111 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C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001046863895 811831237 /nfs/dbraw/zinc/83/12/37/811831237.db2.gz KCMPPBDFEQWBSP-FFZGVQJCSA-N 0 3 288.435 2.435 20 30 CEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)C2CC(C)C2)C1 ZINC001046927597 811839521 /nfs/dbraw/zinc/83/95/21/811839521.db2.gz ISRRSJQCQWLTMM-RUXDESIVSA-N 0 3 298.377 2.129 20 30 CEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C3CCC3)C2)CC1 ZINC001047215148 811869396 /nfs/dbraw/zinc/86/93/96/811869396.db2.gz IMDLSVLEYSLXKD-QGZVFWFLSA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](C)OC ZINC001109596626 811912481 /nfs/dbraw/zinc/91/24/81/811912481.db2.gz YPHCZKRZLNBBNZ-KBXIAJHMSA-N 0 3 294.439 2.345 20 30 CEEDHN C[C@H]1CN(C(=O)C2CC2)C[C@@H]1CNCc1ccccc1C#N ZINC001048086583 811935027 /nfs/dbraw/zinc/93/50/27/811935027.db2.gz ADFVATIRDDRFBV-GUYCJALGSA-N 0 3 297.402 2.152 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@H]3CCC[C@H]3C)C[C@@H]2C1 ZINC001048837490 812033651 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C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CC)C1 ZINC001053056015 812485565 /nfs/dbraw/zinc/48/55/65/812485565.db2.gz ALJAGNYTKBYWIL-LSDHHAIUSA-N 0 3 262.397 2.123 20 30 CEEDHN CC(=O)N1CCC[C@]2(CCN(Cc3cccc(C#N)c3)C2)C1 ZINC001054060614 812524856 /nfs/dbraw/zinc/52/48/56/812524856.db2.gz PGVVCEPZFVYCAW-GOSISDBHSA-N 0 3 297.402 2.393 20 30 CEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)SC)C2 ZINC001054087743 812534068 /nfs/dbraw/zinc/53/40/68/812534068.db2.gz KWBKTZPMGXFCNA-GDBMZVCRSA-N 0 3 294.464 2.076 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)SC)C2 ZINC001054087746 812534320 /nfs/dbraw/zinc/53/43/20/812534320.db2.gz KWBKTZPMGXFCNA-ZBFHGGJFSA-N 0 3 294.464 2.076 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC1(C)C)C2 ZINC001054118581 812541782 /nfs/dbraw/zinc/54/17/82/812541782.db2.gz LRZIPHGXIWJEPE-YJBOKZPZSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC13CCC3)C2 ZINC001054205698 812549728 /nfs/dbraw/zinc/54/97/28/812549728.db2.gz VTKZVUIWVNYKNZ-RDJZCZTQSA-N 0 3 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C#CCCN1C[C@H](NC(=O)C2(C(F)F)CC2)CC[C@@H]1C ZINC001132057142 812781425 /nfs/dbraw/zinc/78/14/25/812781425.db2.gz KFADDYWVRSPBNP-NWDGAFQWSA-N 0 3 284.350 2.024 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H]3Cc4ccccc43)[C@@H]2C1 ZINC001050129216 812786253 /nfs/dbraw/zinc/78/62/53/812786253.db2.gz FYMMUOWAAGFCIX-RYQLBKOJSA-N 0 3 296.414 2.435 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)c3cccc(C)c3)C2)CC1 ZINC001050421962 812821828 /nfs/dbraw/zinc/82/18/28/812821828.db2.gz QQOWWNPWLOHRGQ-UHFFFAOYSA-N 0 3 282.387 2.166 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001132302538 812822251 /nfs/dbraw/zinc/82/22/51/812822251.db2.gz TTXOJOWZGVMWKS-UHFFFAOYSA-N 0 3 285.391 2.366 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)c3ccc(Cl)o3)C2)CC1 ZINC001050431799 812822834 /nfs/dbraw/zinc/82/28/34/812822834.db2.gz DLQVHEGVRORSNZ-UHFFFAOYSA-N 0 3 292.766 2.104 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2(C(C)(F)F)CC2)CC[C@H]1C ZINC001132309880 812827221 /nfs/dbraw/zinc/82/72/21/812827221.db2.gz FQZGLJBDPGNLKT-CHWSQXEVSA-N 0 3 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/nfs/dbraw/zinc/04/86/04/816048604.db2.gz XQONOMQARPMSBU-UHFFFAOYSA-N 0 3 282.391 2.380 20 30 CEEDHN N#Cc1ccc(F)c(CN2CCC3SC(=O)C=C3C2)c1 ZINC001139646172 816072152 /nfs/dbraw/zinc/07/21/52/816072152.db2.gz KRQGHORFDXIMSJ-CQSZACIVSA-N 0 3 288.347 2.471 20 30 CEEDHN CCOC(=O)[C@H]1CCN(Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139703229 816090116 /nfs/dbraw/zinc/09/01/16/816090116.db2.gz MBQFGUSXKFZNSP-ZDUSSCGKSA-N 0 3 297.358 2.425 20 30 CEEDHN C=CCn1cc(CN2CC[C@H](c3ccncc3)C2)cn1 ZINC001139770338 816109913 /nfs/dbraw/zinc/10/99/13/816109913.db2.gz MXEZVKJZJZNSRR-INIZCTEOSA-N 0 3 268.364 2.454 20 30 CEEDHN C=CCCCCN(C)Cc1cnn(CCOC)c1 ZINC001139781843 816113202 /nfs/dbraw/zinc/11/32/02/816113202.db2.gz ODUNFZJLTLJFFP-UHFFFAOYSA-N 0 3 251.374 2.318 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001139869743 816130745 /nfs/dbraw/zinc/13/07/45/816130745.db2.gz RLISAESISOLDQQ-GFCCVEGCSA-N 0 3 292.427 2.096 20 30 CEEDHN O=C1C=C2CN(Cc3cc(O)ccc3F)CCC2S1 ZINC001140045659 816174678 /nfs/dbraw/zinc/17/46/78/816174678.db2.gz MPNLRYYFFQCYJH-CYBMUJFWSA-N 0 3 279.336 2.305 20 30 CEEDHN CN(CC(=O)NCCC#N)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000839171162 816566114 /nfs/dbraw/zinc/56/61/14/816566114.db2.gz ZTKAHZRBBKQBAJ-JKSUJKDBSA-N 0 3 285.391 2.284 20 30 CEEDHN CCN1CCN(Cc2ccc(C#N)c(SC)n2)C[C@H]1C ZINC001141948238 816602605 /nfs/dbraw/zinc/60/26/05/816602605.db2.gz RMXNAWHZQGORNJ-GFCCVEGCSA-N 0 3 290.436 2.201 20 30 CEEDHN C=CCOc1ccc(CNCCn2cncn2)cc1Cl ZINC001177774226 816611674 /nfs/dbraw/zinc/61/16/74/816611674.db2.gz CZKKFGBIFHMYSA-UHFFFAOYSA-N 0 3 292.770 2.286 20 30 CEEDHN C#C[C@H](CCC)NC[C@@H](O)c1c(F)cccc1F ZINC000229978356 816670422 /nfs/dbraw/zinc/67/04/22/816670422.db2.gz MAZLFDCWSQSGRH-ZWNOBZJWSA-N 0 3 253.292 2.390 20 30 CEEDHN CN(C)c1ccncc1NC(=O)C#Cc1ccccc1 ZINC001142857215 816739932 /nfs/dbraw/zinc/73/99/32/816739932.db2.gz KUSZGVWYSGTBMH-UHFFFAOYSA-N 0 3 265.316 2.138 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)/C=C(\C)C2CC2)C1 ZINC001149282484 816847215 /nfs/dbraw/zinc/84/72/15/816847215.db2.gz XVSFMALNRNCNLS-SCZPIIQISA-N 0 3 292.423 2.126 20 30 CEEDHN CC#CCNCCNC(=O)c1coc2ccc(Cl)cc21 ZINC001149405531 816861251 /nfs/dbraw/zinc/86/12/51/816861251.db2.gz QLTNBXPPRBLFNN-UHFFFAOYSA-N 0 3 290.750 2.429 20 30 CEEDHN C[C@H]1CN(C2CCN(Cc3ccccc3C#N)CC2)CCO1 ZINC000079496298 343981924 /nfs/dbraw/zinc/98/19/24/343981924.db2.gz FCUUGJHQNOIKOP-HNNXBMFYSA-N 0 3 299.418 2.243 20 30 CEEDHN C[C@H]1CCCCN1C[C@H](O)COc1ccccc1C#N ZINC000034673865 361793310 /nfs/dbraw/zinc/79/33/10/361793310.db2.gz MWDRPOGJDCNMSU-ZFWWWQNUSA-N 0 3 274.364 2.172 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC2(CCC2)C1 ZINC000123655307 365639403 /nfs/dbraw/zinc/63/94/03/365639403.db2.gz KUCRRCBPPBCDHH-CQSZACIVSA-N 0 3 262.397 2.452 20 30 CEEDHN CN(C)C1(CN(C)C(=O)C2(C#N)CC3(CC3)C2)CCC1 ZINC000601513855 346844925 /nfs/dbraw/zinc/84/49/25/346844925.db2.gz HCVWIHZQUNYOFO-UHFFFAOYSA-N 0 3 275.396 2.013 20 30 CEEDHN N#CCc1ccccc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000601534422 346846495 /nfs/dbraw/zinc/84/64/95/346846495.db2.gz QXUMMJMMZIPZBZ-MRXNPFEDSA-N 0 3 297.402 2.499 20 30 CEEDHN COc1cc(CN(C)C)ccc1NC(=O)CC1(C#N)CC1 ZINC000601622758 346863830 /nfs/dbraw/zinc/86/38/30/346863830.db2.gz ULLODSIPPZZMDJ-UHFFFAOYSA-N 0 3 287.363 2.389 20 30 CEEDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccccc2CC#N)C1 ZINC000601667357 346873678 /nfs/dbraw/zinc/87/36/78/346873678.db2.gz VUGHWTXOAOZNIQ-CQSZACIVSA-N 0 3 285.391 2.355 20 30 CEEDHN CN(C)C[C@H](NC(=O)CC#N)c1cccc(C(F)(F)F)c1 ZINC000601699682 346881963 /nfs/dbraw/zinc/88/19/63/346881963.db2.gz BIAVIKOHFVLMQZ-LBPRGKRZSA-N 0 3 299.296 2.338 20 30 CEEDHN CCC[C@@H](CCO)NC(=O)C(C#N)CCc1ccccc1 ZINC000601713306 346886330 /nfs/dbraw/zinc/88/63/30/346886330.db2.gz PAAGFBJHGAQSCJ-CVEARBPZSA-N 0 3 288.391 2.426 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000668451126 539177502 /nfs/dbraw/zinc/17/75/02/539177502.db2.gz MLTRSTFXZGBWTI-MRXNPFEDSA-N 0 3 298.390 2.365 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCN(CC2CCCCC2)CC1 ZINC000677047485 539183052 /nfs/dbraw/zinc/18/30/52/539183052.db2.gz BZJDWTYXJJNXJB-MRXNPFEDSA-N 0 3 266.429 2.121 20 30 CEEDHN C=C(C)[C@H](CO)N(C)Cc1cc(OC)c(OC)cc1C ZINC000677132687 539189120 /nfs/dbraw/zinc/18/91/20/539189120.db2.gz MXMJCGDSYAINLY-AWEZNQCLSA-N 0 3 279.380 2.381 20 30 CEEDHN CC[C@H](NC(=O)C(C)C#N)c1nc2ccccc2[nH]1 ZINC000347141994 529546090 /nfs/dbraw/zinc/54/60/90/529546090.db2.gz VKWPDSFQGIOILY-ZJUUUORDSA-N 0 3 256.309 2.290 20 30 CEEDHN COCCN(C)Cc1cccc(OCCCC#N)c1 ZINC000127126447 365734047 /nfs/dbraw/zinc/73/40/47/365734047.db2.gz CZDQAIATPPOCGQ-UHFFFAOYSA-N 0 3 262.353 2.447 20 30 CEEDHN CC[C@@H](C#N)C(=O)NCCCN(C)Cc1ccccc1 ZINC000044809907 343478005 /nfs/dbraw/zinc/47/80/05/343478005.db2.gz UTLUIVZVVKEFHH-HNNXBMFYSA-N 0 3 273.380 2.174 20 30 CEEDHN N#CC1(C[C@H](O)CN2CC(Cc3ccsc3)C2)CC1 ZINC000601957059 346942802 /nfs/dbraw/zinc/94/28/02/346942802.db2.gz DFGXILXQSVEDFL-AWEZNQCLSA-N 0 3 276.405 2.277 20 30 CEEDHN CC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000127972476 136387024 /nfs/dbraw/zinc/38/70/24/136387024.db2.gz SFNFIXQSAHJFLA-LBPRGKRZSA-N 0 3 288.351 2.387 20 30 CEEDHN N#Cc1cnc(NCC2CCN(c3ccncc3)CC2)cn1 ZINC000128989081 136387687 /nfs/dbraw/zinc/38/76/87/136387687.db2.gz KQFDWRPZPAOPSH-UHFFFAOYSA-N 0 3 294.362 2.072 20 30 CEEDHN CCC(CC)CN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000247275192 136389109 /nfs/dbraw/zinc/38/91/09/136389109.db2.gz YGQVVHKISWXXJQ-CYBMUJFWSA-N 0 3 287.411 2.295 20 30 CEEDHN C=CCOCCNCc1cccc(-n2cccn2)c1 ZINC000679487030 539321113 /nfs/dbraw/zinc/32/11/13/539321113.db2.gz WEKNUUKUTFHXKP-UHFFFAOYSA-N 0 3 257.337 2.165 20 30 CEEDHN C=CCOc1ccccc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000048128132 343526053 /nfs/dbraw/zinc/52/60/53/343526053.db2.gz ZGXIQDRHDRPYKP-CQSZACIVSA-N 0 3 288.391 2.466 20 30 CEEDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(CCCC#N)C1 ZINC000051053963 343548213 /nfs/dbraw/zinc/54/82/13/343548213.db2.gz WRQZJOGDEJHRKM-KBPBESRZSA-N 0 3 265.401 2.307 20 30 CEEDHN Cc1nnc(NC[C@@H](C)N2CCC[C@H](C)C2)c(C#N)c1C ZINC000052160078 343557099 /nfs/dbraw/zinc/55/70/99/343557099.db2.gz BSSINCKKDURYSJ-NWDGAFQWSA-N 0 3 287.411 2.497 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C)C[C@H](C)C1 ZINC000052869912 343567446 /nfs/dbraw/zinc/56/74/46/343567446.db2.gz DRPQJIBJBQKPMY-OKILXGFUSA-N 0 3 252.402 2.389 20 30 CEEDHN CN(C)C[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000057880485 343640158 /nfs/dbraw/zinc/64/01/58/343640158.db2.gz GYUWJSIHJMDHPG-CQSZACIVSA-N 0 3 272.352 2.116 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000057155381 343625208 /nfs/dbraw/zinc/62/52/08/343625208.db2.gz FMSGJJHTBVJXOQ-CQSZACIVSA-N 0 3 295.386 2.081 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000067704439 343742143 /nfs/dbraw/zinc/74/21/43/343742143.db2.gz QEYUVTMFFRCLFR-UHFFFAOYSA-N 0 3 278.302 2.249 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000066321045 343710930 /nfs/dbraw/zinc/71/09/30/343710930.db2.gz HRYCDSUYFKMEAQ-RBSFLKMASA-N 0 3 282.428 2.204 20 30 CEEDHN N#Cc1ccc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc1 ZINC000066945594 343725905 /nfs/dbraw/zinc/72/59/05/343725905.db2.gz SQTPNLPKVVNLNO-MRXNPFEDSA-N 0 3 283.375 2.259 20 30 CEEDHN C[C@H](CCCCO)NCc1cccc(F)c1C#N ZINC000602026489 346963425 /nfs/dbraw/zinc/96/34/25/346963425.db2.gz WXBWJPQIEXUUOP-LLVKDONJSA-N 0 3 250.317 2.338 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCc3ccccc3C2)CC1 ZINC000067130871 343730303 /nfs/dbraw/zinc/73/03/03/343730303.db2.gz JHBUTLVSOCBETR-GOSISDBHSA-N 0 3 296.414 2.005 20 30 CEEDHN CC(C)N1CCCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000068916453 343777055 /nfs/dbraw/zinc/77/70/55/343777055.db2.gz ARNQXKXARDNPCK-UHFFFAOYSA-N 0 3 288.351 2.387 20 30 CEEDHN CN(CC(=O)NC1(C#N)CCCCC1)CC1CCC1 ZINC000331487824 529831549 /nfs/dbraw/zinc/83/15/49/529831549.db2.gz XARSLGKCJRFUGR-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN C[C@H]1C[C@@H](Nc2cnc(C#N)cn2)CN1Cc1ccccc1 ZINC000126982470 187274568 /nfs/dbraw/zinc/27/45/68/187274568.db2.gz VMAKUJQFWLSTIU-DZGCQCFKSA-N 0 3 293.374 2.423 20 30 CEEDHN CN(CC(=O)NCc1ccc(CC#N)cc1)CC(C)(C)C ZINC000602164526 346985619 /nfs/dbraw/zinc/98/56/19/346985619.db2.gz AELISJYLFDBAKE-UHFFFAOYSA-N 0 3 287.407 2.347 20 30 CEEDHN N#Cc1nnc2ccccc2c1N1CC[C@H](N2CCCC2)C1 ZINC000077216029 343910979 /nfs/dbraw/zinc/91/09/79/343910979.db2.gz JEFVZBDYICDPLE-ZDUSSCGKSA-N 0 3 293.374 2.176 20 30 CEEDHN C[C@@H](C#N)CN(C)CCCCCN(C)C[C@H](C)C#N ZINC000077270088 343914479 /nfs/dbraw/zinc/91/44/79/343914479.db2.gz YHNJCMORBFIHRN-GASCZTMLSA-N 0 3 264.417 2.340 20 30 CEEDHN CC1CCN(CCNc2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000048336388 362257801 /nfs/dbraw/zinc/25/78/01/362257801.db2.gz TYCVWJZJIYOSEM-UHFFFAOYSA-N 0 3 289.339 2.005 20 30 CEEDHN Cc1cccc(OC[C@@H](O)CNCc2ccc(C#N)cc2)c1 ZINC000048367668 362261017 /nfs/dbraw/zinc/26/10/17/362261017.db2.gz CVTQHVFBLIRHMZ-KRWDZBQOSA-N 0 3 296.370 2.396 20 30 CEEDHN C=C(Cl)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000077790800 343933349 /nfs/dbraw/zinc/93/33/49/343933349.db2.gz NBIMXIJHNLFPQQ-CQSZACIVSA-N 0 3 293.798 2.313 20 30 CEEDHN COCCN(Cc1cccc(C#N)n1)C1CCCC1 ZINC000602443995 347035439 /nfs/dbraw/zinc/03/54/39/347035439.db2.gz IDQXCWBRNYMTRZ-UHFFFAOYSA-N 0 3 259.353 2.344 20 30 CEEDHN C=CCOc1ccc(CN2CCC[C@@H](CC(N)=O)C2)cc1 ZINC000093808434 344229653 /nfs/dbraw/zinc/22/96/53/344229653.db2.gz VMAYTMJRINJDOH-HNNXBMFYSA-N 0 3 288.391 2.339 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](CC)c1cccs1 ZINC000049530839 362371200 /nfs/dbraw/zinc/37/12/00/362371200.db2.gz ZFNOOOHXZWVLCE-MNOVXSKESA-N 0 3 252.383 2.480 20 30 CEEDHN C=CCCCN(C)C(=O)NC1CCN(CC)CC1 ZINC000151948934 344423483 /nfs/dbraw/zinc/42/34/83/344423483.db2.gz JHPTYOLYHVOBSZ-UHFFFAOYSA-N 0 3 253.390 2.078 20 30 CEEDHN CN1CCC[C@@H]1CNC(=O)c1cccc(SCC#N)c1 ZINC000176031003 344500205 /nfs/dbraw/zinc/50/02/05/344500205.db2.gz HVRMDWPCRZKRAI-CYBMUJFWSA-N 0 3 289.404 2.126 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCS[C@@H](C)CC2)CC1 ZINC000192251436 344516798 /nfs/dbraw/zinc/51/67/98/344516798.db2.gz GKUBWFOEKICDOM-ZDUSSCGKSA-N 0 3 297.468 2.174 20 30 CEEDHN N#Cc1ccc(CNCC2CCC(O)CC2)c(F)c1 ZINC000227763338 344556485 /nfs/dbraw/zinc/55/64/85/344556485.db2.gz GXDAMHNBHKSHEB-UHFFFAOYSA-N 0 3 262.328 2.338 20 30 CEEDHN C[C@H](CCC#N)CNc1cc(C(N)=O)ccc1CN(C)C ZINC000602496189 347057979 /nfs/dbraw/zinc/05/79/79/347057979.db2.gz BZBCDYAZCABBFS-GFCCVEGCSA-N 0 3 288.395 2.199 20 30 CEEDHN Cc1ccccc1C(=O)NC1CCN(CCCC#N)CC1 ZINC000052746727 362472874 /nfs/dbraw/zinc/47/28/74/362472874.db2.gz VIPVNTXFKHTUQO-UHFFFAOYSA-N 0 3 285.391 2.493 20 30 CEEDHN COc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cn1 ZINC000602509698 347061841 /nfs/dbraw/zinc/06/18/41/347061841.db2.gz IANRFHNRCMLRJW-CYBMUJFWSA-N 0 3 289.379 2.279 20 30 CEEDHN CC(C)C[C@H](CNCc1cccc(C#N)n1)N(C)C ZINC000602509211 347061852 /nfs/dbraw/zinc/06/18/52/347061852.db2.gz DQOIAYLKRUAUNJ-OAHLLOKOSA-N 0 3 260.385 2.019 20 30 CEEDHN CC[C@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000264873729 344657709 /nfs/dbraw/zinc/65/77/09/344657709.db2.gz PBODSTOVODHAAE-ZFWWWQNUSA-N 0 3 273.380 2.488 20 30 CEEDHN C[C@H](NCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000313880104 344743804 /nfs/dbraw/zinc/74/38/04/344743804.db2.gz HHODTWWFHSZUMH-ZNMIVQPWSA-N 0 3 287.407 2.318 20 30 CEEDHN Cc1ccccc1CNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000314822960 344746606 /nfs/dbraw/zinc/74/66/06/344746606.db2.gz ZMLXZBSGDPIWQW-QGZVFWFLSA-N 0 3 296.370 2.396 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC[C@H](CO)CC1 ZINC000292984843 344690298 /nfs/dbraw/zinc/69/02/98/344690298.db2.gz BOUHNMCSCSOLOS-AWEZNQCLSA-N 0 3 274.364 2.031 20 30 CEEDHN Cc1nn(C)c(C)c1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602524343 347066094 /nfs/dbraw/zinc/06/60/94/347066094.db2.gz CBHYUCOTLKSYRL-GFCCVEGCSA-N 0 3 290.411 2.226 20 30 CEEDHN COc1ccccc1[C@H](CO)NC[C@@H](C)CCC#N ZINC000602552048 347073802 /nfs/dbraw/zinc/07/38/02/347073802.db2.gz QSMGDSLRQRYYDC-JSGCOSHPSA-N 0 3 262.353 2.258 20 30 CEEDHN CC(C)[C@H]1OCCC[C@H]1CNCc1cccc(C#N)n1 ZINC000602563794 347078972 /nfs/dbraw/zinc/07/89/72/347078972.db2.gz NWTLMDAUEGLAID-XJKSGUPXSA-N 0 3 273.380 2.494 20 30 CEEDHN C[C@H](Cc1ccncc1)NCc1cccc(C#N)n1 ZINC000602564183 347079176 /nfs/dbraw/zinc/07/91/76/347079176.db2.gz QCZCNMGUTAGTSP-GFCCVEGCSA-N 0 3 252.321 2.069 20 30 CEEDHN CC[S@](=O)[C@H]1CCC[C@H](NCc2cccc(C#N)n2)C1 ZINC000602564359 347079943 /nfs/dbraw/zinc/07/99/43/347079943.db2.gz MGZBCODZQGBXQF-LCMPSIMXSA-N 0 3 291.420 2.123 20 30 CEEDHN Fc1ccc(C#CCN[C@H]2CCO[C@H]2C2CC2)cc1 ZINC000364781773 344812176 /nfs/dbraw/zinc/81/21/76/344812176.db2.gz HHZWXPIXPRMUIQ-HOTGVXAUSA-N 0 3 259.324 2.334 20 30 CEEDHN C#C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)c1ccc(F)cc1 ZINC000491621042 344912924 /nfs/dbraw/zinc/91/29/24/344912924.db2.gz GLQVFYDKYRILIM-IOASZLSFSA-N 0 3 288.366 2.489 20 30 CEEDHN C#C[C@H](NC(=O)C[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000491339817 344911066 /nfs/dbraw/zinc/91/10/66/344911066.db2.gz SRZNXMFXIKRNAJ-HOTGVXAUSA-N 0 3 272.392 2.453 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000602576993 347085432 /nfs/dbraw/zinc/08/54/32/347085432.db2.gz MRUJIEFLQVQLCM-BZUAXINKSA-N 0 3 285.391 2.460 20 30 CEEDHN C#C[C@H](CC)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000491784926 344914414 /nfs/dbraw/zinc/91/44/14/344914414.db2.gz RKMSUPPRPZLJIW-OAGGEKHMSA-N 0 3 285.391 2.143 20 30 CEEDHN COc1ccc([C@H](C)NC2CCN(CC#N)CC2)cc1O ZINC000589338947 345078508 /nfs/dbraw/zinc/07/85/08/345078508.db2.gz PVMBDPLNJVFWFQ-LBPRGKRZSA-N 0 3 289.379 2.039 20 30 CEEDHN N#CC1(CC(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000590253641 345123103 /nfs/dbraw/zinc/12/31/03/345123103.db2.gz FBBIUSGKNAJXHD-MRXNPFEDSA-N 0 3 297.402 2.461 20 30 CEEDHN CCCN(CCN1CCCCCC1)C(=O)NC[C@H](C)C#N ZINC000589646394 345092790 /nfs/dbraw/zinc/09/27/90/345092790.db2.gz ZIVNKMPPACUPMS-OAHLLOKOSA-N 0 3 294.443 2.444 20 30 CEEDHN N#CC1(CC(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000590212079 345122118 /nfs/dbraw/zinc/12/21/18/345122118.db2.gz RFFRWZCULHJCML-CQSZACIVSA-N 0 3 275.396 2.157 20 30 CEEDHN CN(C)C[C@@H]1CCCN1C(=O)CCCCCC#N ZINC000589835829 345100737 /nfs/dbraw/zinc/10/07/37/345100737.db2.gz NPEFGPQFUSFRNG-ZDUSSCGKSA-N 0 3 251.374 2.013 20 30 CEEDHN CC(C)N1CCC[C@H](NC(=O)CCCCCC#N)C1 ZINC000589847876 345102305 /nfs/dbraw/zinc/10/23/05/345102305.db2.gz VMSJXYUROFNXNB-AWEZNQCLSA-N 0 3 265.401 2.449 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CC[C@@](O)(C(F)(F)F)C2)o1 ZINC000589939049 345105262 /nfs/dbraw/zinc/10/52/62/345105262.db2.gz NEWLNBKEGCBGQD-KWQFWETISA-N 0 3 274.242 2.087 20 30 CEEDHN CCCN1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000589983783 345107555 /nfs/dbraw/zinc/10/75/55/345107555.db2.gz PFKOZIXKCPTVLG-UHFFFAOYSA-N 0 3 261.344 2.225 20 30 CEEDHN CCN1CCN(c2ccc(N[C@H](C)C#N)c(C)c2)CC1 ZINC000056170213 362557348 /nfs/dbraw/zinc/55/73/48/362557348.db2.gz XKMIHVZPZVFHIY-CQSZACIVSA-N 0 3 272.396 2.461 20 30 CEEDHN N#CCc1cccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000590855344 345190085 /nfs/dbraw/zinc/19/00/85/345190085.db2.gz IYAVTLOJXADUCB-MRXNPFEDSA-N 0 3 298.390 2.455 20 30 CEEDHN N#C[C@]1(F)CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000590743703 345173154 /nfs/dbraw/zinc/17/31/54/345173154.db2.gz YJSSUISJJNOUOD-GOEBONIOSA-N 0 3 293.386 2.248 20 30 CEEDHN COC(=O)[C@@H]1CCC[C@@H]1NCC#Cc1ccc(F)cc1 ZINC000590752491 345174060 /nfs/dbraw/zinc/17/40/60/345174060.db2.gz WURBOXFRVLAPMS-CABCVRRESA-N 0 3 275.323 2.109 20 30 CEEDHN CO[C@@H]1[C@H](C)[C@@H](NCc2ccnc(C#N)c2)C1(C)C ZINC000590756763 345175166 /nfs/dbraw/zinc/17/51/66/345175166.db2.gz MHMRAAJZOTVHTH-LERXQTSPSA-N 0 3 259.353 2.102 20 30 CEEDHN CCN1C[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)CC1=O ZINC000590779357 345180146 /nfs/dbraw/zinc/18/01/46/345180146.db2.gz YZVWNWGGSUJOJW-GOEBONIOSA-N 0 3 283.375 2.146 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC1(C#N)CC1 ZINC000590327451 345129613 /nfs/dbraw/zinc/12/96/13/345129613.db2.gz JOGDGJFPHUAARE-GOEBONIOSA-N 0 3 297.402 2.317 20 30 CEEDHN CC[C@H]1CN(C)CCCN1C(=O)CCc1ccc(C#N)cc1 ZINC000590345016 345130557 /nfs/dbraw/zinc/13/05/57/345130557.db2.gz IDAYOAJVWOSSEI-KRWDZBQOSA-N 0 3 299.418 2.434 20 30 CEEDHN N#Cc1ccc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)s1 ZINC000590381817 345132460 /nfs/dbraw/zinc/13/24/60/345132460.db2.gz ITKMUWZSEACZRT-LSDHHAIUSA-N 0 3 292.404 2.029 20 30 CEEDHN N#C[C@]1(C(=O)N[C@H]2CCN(CC3CC3)C2)CC12CCCC2 ZINC000590632625 345153958 /nfs/dbraw/zinc/15/39/58/345153958.db2.gz VCHAMORQTMLCGA-YOEHRIQHSA-N 0 3 287.407 2.061 20 30 CEEDHN CC(C)NC(=O)[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000591257237 345235262 /nfs/dbraw/zinc/23/52/62/345235262.db2.gz KAWKIIYWEUVYSD-BLLLJJGKSA-N 0 3 285.391 2.438 20 30 CEEDHN C[C@]1(C#N)CCCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000591310182 345238644 /nfs/dbraw/zinc/23/86/44/345238644.db2.gz BJYXRVQUHOXQBA-QGZVFWFLSA-N 0 3 298.390 2.490 20 30 CEEDHN C[C@@]1(C#N)CCCN(C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000591360303 345244281 /nfs/dbraw/zinc/24/42/81/345244281.db2.gz ITKRHYVVOFHOFS-KRWDZBQOSA-N 0 3 298.390 2.125 20 30 CEEDHN CO[C@H]1C[C@H](NCc2ccnc(C#N)c2)C12CCC2 ZINC000590971469 345207727 /nfs/dbraw/zinc/20/77/27/345207727.db2.gz ZOUAENKFWUMLMX-KBPBESRZSA-N 0 3 257.337 2.000 20 30 CEEDHN CCCN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@H]1CCN(C)C1 ZINC000592027916 345315856 /nfs/dbraw/zinc/31/58/56/345315856.db2.gz QPJVWHVZXYPWHV-KKUMJFAQSA-N 0 3 292.427 2.194 20 30 CEEDHN CCN(C(=O)[C@@H](N)CCCC#N)c1ccccc1C ZINC000591593104 345267597 /nfs/dbraw/zinc/26/75/97/345267597.db2.gz XYVXQIZFJWLRCX-ZDUSSCGKSA-N 0 3 259.353 2.369 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N(C1CC1)C1CCCCC1 ZINC000591596185 345268015 /nfs/dbraw/zinc/26/80/15/345268015.db2.gz NEPGTGSLMMTUGL-CQSZACIVSA-N 0 3 263.385 2.331 20 30 CEEDHN CCOCC[C@@H](O)CNCc1ccc(C#N)c(Cl)c1 ZINC000591765959 345279243 /nfs/dbraw/zinc/27/92/43/345279243.db2.gz VZWBSCZTLPVXSU-CYBMUJFWSA-N 0 3 282.771 2.089 20 30 CEEDHN CC[C@@H](C)C[C@@H](CO)NCc1cnc2ccc(C#N)cn12 ZINC000592374360 345346993 /nfs/dbraw/zinc/34/69/93/345346993.db2.gz BXJDYTHDTCOLBZ-OCCSQVGLSA-N 0 3 286.379 2.093 20 30 CEEDHN CC(C)(CC(F)(F)F)NCc1cnc2c(C#N)cnn2c1 ZINC000592509061 345362541 /nfs/dbraw/zinc/36/25/41/345362541.db2.gz HJYQXUBCEGOZGL-UHFFFAOYSA-N 0 3 297.284 2.422 20 30 CEEDHN C[C@@H]1CC[C@H](N(C)Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592513973 345363077 /nfs/dbraw/zinc/36/30/77/345363077.db2.gz MSKLGXIKGAYWJT-RISCZKNCSA-N 0 3 269.352 2.221 20 30 CEEDHN N#CC[C@]1(O)CCN(C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000592522317 345365332 /nfs/dbraw/zinc/36/53/32/345365332.db2.gz LTNHLQLNPAOGMQ-XHSDSOJGSA-N 0 3 256.349 2.141 20 30 CEEDHN C[C@@H](Cc1ccccc1)CN1CC[C@@](O)(CC#N)C1 ZINC000592522566 345365569 /nfs/dbraw/zinc/36/55/69/345365569.db2.gz OQYSTTBVIPZDPR-HOCLYGCPSA-N 0 3 258.365 2.216 20 30 CEEDHN C[C@H](CN1CC[C@@](O)(CC#N)C1)c1ccc(F)cc1 ZINC000592522015 345365586 /nfs/dbraw/zinc/36/55/86/345365586.db2.gz GQPDWRPFCJJIJU-DOMZBBRYSA-N 0 3 262.328 2.280 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@H](C1CCC1)C1CCCC1 ZINC000592567737 345369414 /nfs/dbraw/zinc/36/94/14/345369414.db2.gz XJWVWGGAQTWSMG-GJZGRUSLSA-N 0 3 277.412 2.483 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000593022600 345424359 /nfs/dbraw/zinc/42/43/59/345424359.db2.gz ICCKMKGDLJXFQA-CHWSQXEVSA-N 0 3 273.384 2.485 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC([C@H](C)CO)CC1 ZINC000593085013 345436255 /nfs/dbraw/zinc/43/62/55/345436255.db2.gz SUIXYUAINYTEFX-CYBMUJFWSA-N 0 3 288.391 2.407 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(CC#N)cc1 ZINC000592824457 345400584 /nfs/dbraw/zinc/40/05/84/345400584.db2.gz LECIICUIALWCBN-OKILXGFUSA-N 0 3 285.391 2.242 20 30 CEEDHN CCCN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCN(C)C1 ZINC000592830962 345401986 /nfs/dbraw/zinc/40/19/86/345401986.db2.gz JHFAVQHFOWAORF-MRXNPFEDSA-N 0 3 285.391 2.309 20 30 CEEDHN CCC(C#N)C(=O)N[C@](CC)(C(=O)OC)c1ccccc1 ZINC000593455216 345490129 /nfs/dbraw/zinc/49/01/29/345490129.db2.gz APRJIXFDLJBYCD-WBMJQRKESA-N 0 3 288.347 2.131 20 30 CEEDHN CCC(C#N)C(=O)N1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000593558109 345507082 /nfs/dbraw/zinc/50/70/82/345507082.db2.gz IICIHIROLWPSQK-VXGBXAGGSA-N 0 3 280.368 2.259 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](CC(=O)OC)c1cccs1 ZINC000593397542 345476565 /nfs/dbraw/zinc/47/65/65/345476565.db2.gz XOSOCQQEAKVBJJ-NXEZZACHSA-N 0 3 280.349 2.018 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(-c3nncnn3)cc2)C1 ZINC000593692955 345522456 /nfs/dbraw/zinc/52/24/56/345522456.db2.gz HSMRWWXWJWTNIJ-UKRRQHHQSA-N 0 3 294.362 2.106 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H](C3CCOCC3)C2)nc1 ZINC000593967861 345557329 /nfs/dbraw/zinc/55/73/29/345557329.db2.gz GOUSRJIOYJULBX-OAHLLOKOSA-N 0 3 271.364 2.202 20 30 CEEDHN COC[C@@H]1CCCCN(Cc2ccc(C#N)cn2)C1 ZINC000593974466 345558766 /nfs/dbraw/zinc/55/87/66/345558766.db2.gz ZUFPASBIWCXRCV-CQSZACIVSA-N 0 3 259.353 2.202 20 30 CEEDHN CN(C)Cc1cccc(CNC(=O)CCCCC#N)c1 ZINC000594220007 345599102 /nfs/dbraw/zinc/59/91/02/345599102.db2.gz MTQXINYWELHGCX-UHFFFAOYSA-N 0 3 273.380 2.448 20 30 CEEDHN CC(C)(CC#N)CNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594256799 345605877 /nfs/dbraw/zinc/60/58/77/345605877.db2.gz WLTXNYGMAGWVNA-KBPBESRZSA-N 0 3 292.427 2.242 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN(C)C1 ZINC000594285775 345608034 /nfs/dbraw/zinc/60/80/34/345608034.db2.gz CWDASOSLMZVIQF-WMLDXEAASA-N 0 3 299.418 2.195 20 30 CEEDHN CC(C)(CNC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594428804 345627572 /nfs/dbraw/zinc/62/75/72/345627572.db2.gz OVIDGPWVNGBNMX-HNNXBMFYSA-N 0 3 287.407 2.492 20 30 CEEDHN C[C@@H](N(C)C(=O)[C@H](N)CCCCC#N)C(C)(C)C ZINC000594430010 345627703 /nfs/dbraw/zinc/62/77/03/345627703.db2.gz ZAXGSHIDOQVOEK-VXGBXAGGSA-N 0 3 253.390 2.291 20 30 CEEDHN Cc1nc2cc(NC(=O)[C@@H](N)CCCCC#N)ccc2[nH]1 ZINC000594429099 345628069 /nfs/dbraw/zinc/62/80/69/345628069.db2.gz QTCCEMVWVDWOOY-LBPRGKRZSA-N 0 3 285.351 2.221 20 30 CEEDHN Cc1nc2ccc(NC(=O)[C@@H](N)CCCCC#N)cc2[nH]1 ZINC000594429099 345628072 /nfs/dbraw/zinc/62/80/72/345628072.db2.gz QTCCEMVWVDWOOY-LBPRGKRZSA-N 0 3 285.351 2.221 20 30 CEEDHN Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)c2n[nH]cc21 ZINC000594431157 345628827 /nfs/dbraw/zinc/62/88/27/345628827.db2.gz IQNQENBVHMOXKO-LBPRGKRZSA-N 0 3 285.351 2.221 20 30 CEEDHN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)CCCCC#N)C1(C)C ZINC000594434210 345629425 /nfs/dbraw/zinc/62/94/25/345629425.db2.gz XUNITJLJINQZGG-MELADBBJSA-N 0 3 295.427 2.060 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000594436014 345629647 /nfs/dbraw/zinc/62/96/47/345629647.db2.gz GQRCOTPVJWBDSI-CYBMUJFWSA-N 0 3 299.334 2.086 20 30 CEEDHN CN(C(=O)[C@H](N)CCCCC#N)C(C1CC1)C1CC1 ZINC000594439859 345631308 /nfs/dbraw/zinc/63/13/08/345631308.db2.gz RPSMLCXRWITCEW-CYBMUJFWSA-N 0 3 263.385 2.045 20 30 CEEDHN Cc1ccc(O)c(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594442770 345631791 /nfs/dbraw/zinc/63/17/91/345631791.db2.gz UOOFKHHNRIQHRZ-NSHDSACASA-N 0 3 261.325 2.050 20 30 CEEDHN C[C@@H]1C[C@H](C)CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594443725 345632179 /nfs/dbraw/zinc/63/21/79/345632179.db2.gz SMPDHIPGKFKZSF-MGPQQGTHSA-N 0 3 265.401 2.292 20 30 CEEDHN CC[C@@H]1CCC[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594446892 345632867 /nfs/dbraw/zinc/63/28/67/345632867.db2.gz YZYYXJFGWYDEAR-UPJWGTAASA-N 0 3 251.374 2.093 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)[C@H](N)CCCCC#N)C[C@@H](C)C1 ZINC000594447638 345633544 /nfs/dbraw/zinc/63/35/44/345633544.db2.gz UMERIUBDVRLZEF-ZOBORPQBSA-N 0 3 265.401 2.339 20 30 CEEDHN CC1CCC(NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594462334 345636129 /nfs/dbraw/zinc/63/61/29/345636129.db2.gz DEHPKBDFPMKSGU-WXRRBKDZSA-N 0 3 251.374 2.093 20 30 CEEDHN CCOC(=O)CCN(Cc1ccc(C#N)o1)C(C)C ZINC000594613144 345662225 /nfs/dbraw/zinc/66/22/25/345662225.db2.gz WKVHICONLLNYTP-UHFFFAOYSA-N 0 3 264.325 2.315 20 30 CEEDHN N#CCC1(Cn2cc(CNC3CCCCC3)nn2)CC1 ZINC000594650756 345666424 /nfs/dbraw/zinc/66/64/24/345666424.db2.gz CBKVJRCATVRMFQ-UHFFFAOYSA-N 0 3 273.384 2.394 20 30 CEEDHN CC(C)(C#N)c1ccc(CN[C@H]2C[C@@](C)(O)C2)cc1 ZINC000594509956 345640932 /nfs/dbraw/zinc/64/09/32/345640932.db2.gz ZIBPCQNTDLJSGU-FZNQNYSPSA-N 0 3 258.365 2.491 20 30 CEEDHN N#C[C@H]1CCC[C@H](N[C@H]2c3ccccc3C[C@@H]2O)C1 ZINC000594512931 345641653 /nfs/dbraw/zinc/64/16/53/345641653.db2.gz FOWXPBCKEJPSNW-MZGVZZPPSA-N 0 3 256.349 2.317 20 30 CEEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000594712915 345676782 /nfs/dbraw/zinc/67/67/82/345676782.db2.gz WUZWAERUKQQOPD-DAXOMENPSA-N 0 3 274.364 2.260 20 30 CEEDHN N#CCc1ccc(CNC(=O)C2(N)CC3(CCC3)C2)cc1 ZINC000595249003 345747799 /nfs/dbraw/zinc/74/77/99/345747799.db2.gz DSXKIXYAWPHEBP-UHFFFAOYSA-N 0 3 283.375 2.030 20 30 CEEDHN CC(C)CC1(NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000595259741 345750959 /nfs/dbraw/zinc/75/09/59/345750959.db2.gz NPZDBCKXSIAIDO-LBPRGKRZSA-N 0 3 251.374 2.093 20 30 CEEDHN C[C@@H](CC[S@@](C)=O)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594932206 345707585 /nfs/dbraw/zinc/70/75/85/345707585.db2.gz NLILKJSIQSKYLL-RNODOKPDSA-N 0 3 290.432 2.488 20 30 CEEDHN Cc1nc(CNCCc2cccc(C#N)c2)[nH]c1C ZINC000594935484 345708490 /nfs/dbraw/zinc/70/84/90/345708490.db2.gz FCGDRXHUQPOBKE-UHFFFAOYSA-N 0 3 254.337 2.231 20 30 CEEDHN C[S@](=O)[C@H]1CCC[C@@H](NCc2cc(C#N)cs2)C1 ZINC000594961089 345717242 /nfs/dbraw/zinc/71/72/42/345717242.db2.gz LEDPGKRJKHJHKR-YNKQFZHNSA-N 0 3 282.434 2.399 20 30 CEEDHN N#Cc1ccc(CNCC2(CC(N)=O)CCCCC2)o1 ZINC000594999552 345724078 /nfs/dbraw/zinc/72/40/78/345724078.db2.gz BKNSWZACTVIHMC-UHFFFAOYSA-N 0 3 275.352 2.067 20 30 CEEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1ccn(C)n1 ZINC000595055943 345735924 /nfs/dbraw/zinc/73/59/24/345735924.db2.gz MYFANGFREWGWMA-GFCCVEGCSA-N 0 3 254.337 2.185 20 30 CEEDHN N#Cc1ccc(CCN2CCS[C@H]3COCC[C@H]32)cc1 ZINC000595352863 345767077 /nfs/dbraw/zinc/76/70/77/345767077.db2.gz PTQRNNAXSVYSDU-CVEARBPZSA-N 0 3 288.416 2.307 20 30 CEEDHN N#Cc1ccc(O[C@H]2CCN(Cc3cccc(N)c3)C2)nc1 ZINC000595502208 345797196 /nfs/dbraw/zinc/79/71/96/345797196.db2.gz QSGATCMAALXUTD-INIZCTEOSA-N 0 3 294.358 2.189 20 30 CEEDHN COc1ccc(CN2C[C@]3(C)COC[C@]3(C)C2)cc1C#N ZINC000595690980 345850115 /nfs/dbraw/zinc/85/01/15/345850115.db2.gz WZFYAMAQMYPZOB-CALCHBBNSA-N 0 3 286.375 2.425 20 30 CEEDHN CCc1nn(C)c(OC)c1CNC[C@@H](C)CCC#N ZINC000602580788 347087710 /nfs/dbraw/zinc/08/77/10/347087710.db2.gz GWNSPMUJEYXYGY-NSHDSACASA-N 0 3 264.373 2.021 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](Cn2ccnn2)C1 ZINC000595609367 345825775 /nfs/dbraw/zinc/82/57/75/345825775.db2.gz YOJXCVRIXSSHJA-HIFRSBDPSA-N 0 3 281.363 2.233 20 30 CEEDHN N#CC[C@H]1CCCN(C[C@H](O)Cc2ccccc2)C1 ZINC000595619426 345829728 /nfs/dbraw/zinc/82/97/28/345829728.db2.gz ASUMBVFKUFAQST-HZPDHXFCSA-N 0 3 258.365 2.216 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000595647624 345837485 /nfs/dbraw/zinc/83/74/85/345837485.db2.gz DPLXQFXUFMHJNH-SOUVJXGZSA-N 0 3 292.427 2.098 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@@](O)(C2CC2)C1 ZINC000595751469 345866785 /nfs/dbraw/zinc/86/67/85/345866785.db2.gz QZBFJYVYFKMBGF-KRWDZBQOSA-N 0 3 286.375 2.304 20 30 CEEDHN Cc1cc(CN2C[C@@H]3COC[C@@]3(C)C2)ccc1C#N ZINC000595760116 345869794 /nfs/dbraw/zinc/86/97/94/345869794.db2.gz SCMNVURPUVWSFO-HZPDHXFCSA-N 0 3 256.349 2.335 20 30 CEEDHN N#Cc1cccc(C2(NCc3cnc[nH]3)CCOCC2)c1 ZINC000595769836 345871651 /nfs/dbraw/zinc/87/16/51/345871651.db2.gz TYZJNKWBYMCXCW-UHFFFAOYSA-N 0 3 282.347 2.077 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2C[C@H](O)C23CCC3)c1F ZINC000595781507 345875121 /nfs/dbraw/zinc/87/51/21/345875121.db2.gz LKINOTHERWKAIK-OLZOCXBDSA-N 0 3 260.312 2.090 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C(=O)OC)C1(OC)CCC1 ZINC000595845483 345897103 /nfs/dbraw/zinc/89/71/03/345897103.db2.gz OVTVAHINLWLNDW-HZSPNIEDSA-N 0 3 279.380 2.280 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595856757 345899401 /nfs/dbraw/zinc/89/94/01/345899401.db2.gz DQOTULAXYMFIFI-NQKGRLOXSA-N 0 3 277.412 2.304 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@H](C)[C@](C)(CO)C1 ZINC000595878842 345904902 /nfs/dbraw/zinc/90/49/02/345904902.db2.gz VOAZUEZAZOFEAP-LRDDRELGSA-N 0 3 274.364 2.017 20 30 CEEDHN N#CC1(c2ccc(CNCCOCCF)cc2)CC1 ZINC000596057884 345930121 /nfs/dbraw/zinc/93/01/21/345930121.db2.gz XUIFFEGHKWDFBZ-UHFFFAOYSA-N 0 3 262.328 2.317 20 30 CEEDHN C[C@H]1CN(c2cccc(C(F)F)c2C#N)CCN1 ZINC000596015695 345923705 /nfs/dbraw/zinc/92/37/05/345923705.db2.gz GNTVHMSPEYLSDH-VIFPVBQESA-N 0 3 251.280 2.294 20 30 CEEDHN N#Cc1c(C(F)F)cccc1N1CC[C@@H](F)[C@H](N)C1 ZINC000596023043 345924625 /nfs/dbraw/zinc/92/46/25/345924625.db2.gz SFXKTMVDFVAWRR-GHMZBOCLSA-N 0 3 269.270 2.371 20 30 CEEDHN C=CCN(CC=C)[C@H](CNc1c(C#N)cnn1C)C(C)C ZINC000596070975 345932886 /nfs/dbraw/zinc/93/28/86/345932886.db2.gz KFUPNZAXNGLVLB-OAHLLOKOSA-N 0 3 287.411 2.402 20 30 CEEDHN CN(CC1CN(C)C1)c1ccc2cc(C#N)ccc2n1 ZINC000596454836 346028096 /nfs/dbraw/zinc/02/80/96/346028096.db2.gz VLYKTNQWFPYICZ-UHFFFAOYSA-N 0 3 266.348 2.104 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000596658730 346074006 /nfs/dbraw/zinc/07/40/06/346074006.db2.gz MNOKKCWRAULWPH-OAHLLOKOSA-N 0 3 286.379 2.358 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2C)C1 ZINC000596708543 346077630 /nfs/dbraw/zinc/07/76/30/346077630.db2.gz OQABWTDZLLWKOS-CQSZACIVSA-N 0 3 286.379 2.473 20 30 CEEDHN C=CCCSCCNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000596717626 346079727 /nfs/dbraw/zinc/07/97/27/346079727.db2.gz NJLPWXWNAKMWJN-KGLIPLIRSA-N 0 3 297.468 2.031 20 30 CEEDHN C[C@H](CC#N)C(=O)NCCCN1CCc2ccccc2C1 ZINC000596775455 346089037 /nfs/dbraw/zinc/08/90/37/346089037.db2.gz BPGIWKSBJXFHPW-CQSZACIVSA-N 0 3 285.391 2.101 20 30 CEEDHN C=CCCSCCNCc1ccc(C(=O)OC)[nH]1 ZINC000597185774 346143971 /nfs/dbraw/zinc/14/39/71/346143971.db2.gz WVJYJQXLBOKPRD-UHFFFAOYSA-N 0 3 268.382 2.200 20 30 CEEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCOC1 ZINC000596995602 346113561 /nfs/dbraw/zinc/11/35/61/346113561.db2.gz KXHZTMCYLXBVQZ-HNNXBMFYSA-N 0 3 256.349 2.462 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CC[C@@H]1O ZINC000597091365 346128322 /nfs/dbraw/zinc/12/83/22/346128322.db2.gz DKAJZHVEGBEJLE-CJNGLKHVSA-N 0 3 270.376 2.444 20 30 CEEDHN CN(C)[C@@H]1CCCN(C(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC000597103758 346128356 /nfs/dbraw/zinc/12/83/56/346128356.db2.gz RGWFNBSXMOKZGY-LLVKDONJSA-N 0 3 293.317 2.003 20 30 CEEDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cccc(CC#N)c1 ZINC000874842545 649849018 /nfs/dbraw/zinc/84/90/18/649849018.db2.gz IREIQPKNWHOVEH-CVEARBPZSA-N 0 3 283.375 2.061 20 30 CEEDHN C[C@@H](CC#N)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000597314774 346170537 /nfs/dbraw/zinc/17/05/37/346170537.db2.gz XPLACPMNGHIGLE-HOCLYGCPSA-N 0 3 285.391 2.269 20 30 CEEDHN C[C@H](CC#N)C(=O)N(CCN(C)C)C1CCCCC1 ZINC000597209168 346149669 /nfs/dbraw/zinc/14/96/69/346149669.db2.gz QABXZXJMMOERDB-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN C[C@H](CC#N)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000597764493 346228294 /nfs/dbraw/zinc/22/82/94/346228294.db2.gz MMIPYXGITIBWPH-LLVKDONJSA-N 0 3 293.342 2.254 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597791401 346231220 /nfs/dbraw/zinc/23/12/20/346231220.db2.gz MUVSLFLIGPDZDZ-NSHDSACASA-N 0 3 293.317 2.003 20 30 CEEDHN CN1C[C@H]2CCN(C(=O)CC3(C#N)CCCCC3)[C@@H]2C1 ZINC000597689728 346215724 /nfs/dbraw/zinc/21/57/24/346215724.db2.gz QQCGRSXPJHZTOS-ZIAGYGMSSA-N 0 3 275.396 2.013 20 30 CEEDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cccc(C#N)c2)C1 ZINC000597924809 346254072 /nfs/dbraw/zinc/25/40/72/346254072.db2.gz LABFHWYNYPHGQL-CQSZACIVSA-N 0 3 271.364 2.161 20 30 CEEDHN CCN(C(=O)CCCCCC#N)[C@@H]1CCN(CC)C1 ZINC000598041470 346274005 /nfs/dbraw/zinc/27/40/05/346274005.db2.gz UPZABXVFIPBAOM-CQSZACIVSA-N 0 3 265.401 2.403 20 30 CEEDHN CCN(C(=O)Cc1ccc(C#N)cc1)[C@H]1CCN(CC)C1 ZINC000598043162 346275012 /nfs/dbraw/zinc/27/50/12/346275012.db2.gz RJHADUKQVCWADC-INIZCTEOSA-N 0 3 285.391 2.043 20 30 CEEDHN CCCN1CC[C@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 ZINC000598342219 346331684 /nfs/dbraw/zinc/33/16/84/346331684.db2.gz KSSXTCQVEONCGZ-PBHICJAKSA-N 0 3 299.418 2.337 20 30 CEEDHN CCCN1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000598341940 346332237 /nfs/dbraw/zinc/33/22/37/346332237.db2.gz IUVCVZZQNLDHSM-ZDUSSCGKSA-N 0 3 291.782 2.426 20 30 CEEDHN CC(C#N)C(=O)N1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC000598228678 346311002 /nfs/dbraw/zinc/31/10/02/346311002.db2.gz VSEBLYQZBXXVDQ-ZANVPECISA-N 0 3 280.274 2.024 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000598260761 346315701 /nfs/dbraw/zinc/31/57/01/346315701.db2.gz NEKCMMVXJIFLRR-GFCCVEGCSA-N 0 3 289.379 2.310 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000598261711 346316167 /nfs/dbraw/zinc/31/61/67/346316167.db2.gz UFFABSDHZCDWEI-ZFWWWQNUSA-N 0 3 265.401 2.163 20 30 CEEDHN CC(C#N)C(=O)NCc1ccccc1C(F)(F)F ZINC000061627105 362684970 /nfs/dbraw/zinc/68/49/70/362684970.db2.gz BOVJTJRVSWOFPP-MRVPVSSYSA-N 0 3 256.227 2.481 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1nccn1C ZINC000598464383 346360880 /nfs/dbraw/zinc/36/08/80/346360880.db2.gz JLVSABIGOAORQB-UKRRQHHQSA-N 0 3 296.374 2.370 20 30 CEEDHN CC(C)OC1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598587828 346378890 /nfs/dbraw/zinc/37/88/90/346378890.db2.gz DMQGDOZXTXZKDT-ZDUSSCGKSA-N 0 3 268.401 2.177 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCc2ccsc2C1 ZINC000598599410 346382028 /nfs/dbraw/zinc/38/20/28/346382028.db2.gz NJHXYGJZEQIQLC-LBPRGKRZSA-N 0 3 264.394 2.407 20 30 CEEDHN C[C@@H](c1ccccn1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598601099 346382282 /nfs/dbraw/zinc/38/22/82/346382282.db2.gz ZDOGNSVDANDIIE-STQMWFEESA-N 0 3 261.369 2.375 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCC=C(c2cccnc2)C1 ZINC000598616009 346384818 /nfs/dbraw/zinc/38/48/18/346384818.db2.gz IWCUTVWBRQICTC-INIZCTEOSA-N 0 3 285.391 2.471 20 30 CEEDHN CN(C)CCN(C(=O)CC1(C#N)CCCCC1)C1CC1 ZINC000598697630 346402455 /nfs/dbraw/zinc/40/24/55/346402455.db2.gz RFMFRUKMWBLLLN-UHFFFAOYSA-N 0 3 277.412 2.403 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CNCc1ccccc1F ZINC000598704491 346404235 /nfs/dbraw/zinc/40/42/35/346404235.db2.gz QGHRYCSMEPVXSG-LBPRGKRZSA-N 0 3 250.317 2.216 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(F)cc1 ZINC000598705027 346404525 /nfs/dbraw/zinc/40/45/25/346404525.db2.gz WWSNDHIZPIUSFL-ZDUSSCGKSA-N 0 3 250.317 2.216 20 30 CEEDHN Cn1c2cc(CN[C@@H]3CCC[C@H](C#N)C3)ccc2oc1=O ZINC000599085167 346457898 /nfs/dbraw/zinc/45/78/98/346457898.db2.gz VXLZNUOJVOBZDE-WCQYABFASA-N 0 3 285.347 2.303 20 30 CEEDHN N#Cc1ccc(NCCN2CC[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000599175989 346473355 /nfs/dbraw/zinc/47/33/55/346473355.db2.gz MQMRRXROXZHZKK-LLVKDONJSA-N 0 3 299.296 2.056 20 30 CEEDHN Cc1ccc(CN2CCC(C(=O)N(C)C)CC2)cc1C#N ZINC000599253375 346484303 /nfs/dbraw/zinc/48/43/03/346484303.db2.gz JNUUCSRTDYFORB-UHFFFAOYSA-N 0 3 285.391 2.167 20 30 CEEDHN C[C@H](NCCOC1CCOCC1)c1ccc(C#N)cc1 ZINC000599349900 346504102 /nfs/dbraw/zinc/50/41/02/346504102.db2.gz LRBMBLDBPLRVLD-ZDUSSCGKSA-N 0 3 274.364 2.404 20 30 CEEDHN C[C@@]1(NCc2cccc(C#N)n2)CCO[C@H]1C1CC1 ZINC000602607178 347098047 /nfs/dbraw/zinc/09/80/47/347098047.db2.gz HUOKUBFJUFVSRN-LSDHHAIUSA-N 0 3 257.337 2.000 20 30 CEEDHN CN(C(=O)C[C@@H]1NCc2ccccc21)[C@@H]1CCC[C@H]1C#N ZINC000602603441 347096640 /nfs/dbraw/zinc/09/66/40/347096640.db2.gz RXPMFNOCUUURBT-VBNZEHGJSA-N 0 3 283.375 2.372 20 30 CEEDHN Cc1ccc(CN2CC[C@@H](CN3CCOCC3)C2)cc1C#N ZINC000599300892 346494627 /nfs/dbraw/zinc/49/46/27/346494627.db2.gz YYANRKQRZUWKSE-KRWDZBQOSA-N 0 3 299.418 2.021 20 30 CEEDHN N#CC1(C[C@@H](O)CN2CC[C@H]2c2ccccc2)CC1 ZINC000599316643 346498145 /nfs/dbraw/zinc/49/81/45/346498145.db2.gz NQCVHMFAVOOZAR-CABCVRRESA-N 0 3 256.349 2.488 20 30 CEEDHN N#CC1(C[C@H](O)CN2CC[C@H]2c2ccccc2)CC1 ZINC000599316644 346498436 /nfs/dbraw/zinc/49/84/36/346498436.db2.gz NQCVHMFAVOOZAR-GJZGRUSLSA-N 0 3 256.349 2.488 20 30 CEEDHN N#Cc1cccc(CNC[C@@H](O)CCc2ccccc2)n1 ZINC000602609090 347100374 /nfs/dbraw/zinc/10/03/74/347100374.db2.gz RFJKGSAFSTXHML-KRWDZBQOSA-N 0 3 281.359 2.037 20 30 CEEDHN N#Cc1ccc(CCN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000599636559 346550369 /nfs/dbraw/zinc/55/03/69/346550369.db2.gz MNLDCJPXPZBFJU-GQIGUUNPSA-N 0 3 288.416 2.086 20 30 CEEDHN N#CCCn1cc(CN2C[C@@H]3C[C@@H]3C2)c(-c2ccncc2)n1 ZINC000600192304 346620098 /nfs/dbraw/zinc/62/00/98/346620098.db2.gz QBRYFFVKFDAMLT-GASCZTMLSA-N 0 3 293.374 2.310 20 30 CEEDHN CCN(C(=O)Cc1cccc(C#N)c1)C1CCN(C)CC1 ZINC000599985335 346589471 /nfs/dbraw/zinc/58/94/71/346589471.db2.gz CKBRMJOWPYZMSF-UHFFFAOYSA-N 0 3 285.391 2.043 20 30 CEEDHN N#Cc1ccc([C@@H](NC[C@@H]2CCCC23CC3)C(N)=O)cc1 ZINC000600614612 346662918 /nfs/dbraw/zinc/66/29/18/346662918.db2.gz KZTDAKMBXYNQDR-LSDHHAIUSA-N 0 3 283.375 2.255 20 30 CEEDHN CCC(O)(CC)CN(C)Cc1cnc2ccc(C#N)cn12 ZINC000600214958 346625441 /nfs/dbraw/zinc/62/54/41/346625441.db2.gz IOWIHLMSUCOPSQ-UHFFFAOYSA-N 0 3 286.379 2.189 20 30 CEEDHN C[C@@H](CNC(=O)C1(C#N)CC2(CC2)C1)N1CCC[C@H](C)C1 ZINC000600997874 346728856 /nfs/dbraw/zinc/72/88/56/346728856.db2.gz NQGLPYWNOGCXIW-KBPBESRZSA-N 0 3 289.423 2.307 20 30 CEEDHN CCOc1ccc(CNC[C@H](O)CC2(C#N)CC2)cc1 ZINC000600717114 346677205 /nfs/dbraw/zinc/67/72/05/346677205.db2.gz IJYKGLNKGJXJGI-CQSZACIVSA-N 0 3 274.364 2.230 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@H]2CCc3ccc(F)cc32)CC1 ZINC000600719664 346677589 /nfs/dbraw/zinc/67/75/89/346677589.db2.gz DQSVHOITRNIDKD-ZFWWWQNUSA-N 0 3 274.339 2.457 20 30 CEEDHN COc1ccc(C)cc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600719879 346677662 /nfs/dbraw/zinc/67/76/62/346677662.db2.gz VKXMVSMHNKJASU-AWEZNQCLSA-N 0 3 274.364 2.148 20 30 CEEDHN Cc1ccc(-c2cnn(CCN(C)C)c2)c(C#N)c1 ZINC000600774083 346688114 /nfs/dbraw/zinc/68/81/14/346688114.db2.gz BNNPGPHZCRWOIJ-UHFFFAOYSA-N 0 3 254.337 2.292 20 30 CEEDHN C[C@@H](CCC#N)CN1CCN(C(=O)C2CC2)CC1(C)C ZINC000602617448 347105731 /nfs/dbraw/zinc/10/57/31/347105731.db2.gz PFFNJYJLDKHXJD-ZDUSSCGKSA-N 0 3 277.412 2.259 20 30 CEEDHN Cc1ccc(CN2CC[C@@H](Nc3ccncc3C#N)C2)cc1 ZINC000601251153 346802617 /nfs/dbraw/zinc/80/26/17/346802617.db2.gz WZXJSWJGFZYMOF-QGZVFWFLSA-N 0 3 292.386 2.370 20 30 CEEDHN C[C@H](CCC#N)CN[C@H]1Cc2ccccc2N(C)C1=O ZINC000602705456 347160408 /nfs/dbraw/zinc/16/04/08/347160408.db2.gz GEELKJBXIYIUHJ-OCCSQVGLSA-N 0 3 271.364 2.104 20 30 CEEDHN COc1ccnc(CNC[C@H](C)CCC#N)c1F ZINC000602711071 347164733 /nfs/dbraw/zinc/16/47/33/347164733.db2.gz NRDMZLCLMHBXFQ-SNVBAGLBSA-N 0 3 251.305 2.259 20 30 CEEDHN C[C@@H]1OCC[C@H]1CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000602793763 347200555 /nfs/dbraw/zinc/20/05/55/347200555.db2.gz KQRBRMVABUKZTA-RYQLBKOJSA-N 0 3 299.418 2.294 20 30 CEEDHN C[C@@H](CCC#N)CN[C@@H]1Cc2ccccc2NC1=O ZINC000602726970 347173016 /nfs/dbraw/zinc/17/30/16/347173016.db2.gz UGZCFJFLODZWHW-SMDDNHRTSA-N 0 3 257.337 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CEEDHN COC(=O)C(C)(C)[C@@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000610825700 347716566 /nfs/dbraw/zinc/71/65/66/347716566.db2.gz WQCSIQNWEYPMMP-AAEUAGOBSA-N 0 3 288.347 2.203 20 30 CEEDHN COC(=O)C(C)(C)[C@@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000610825703 347716578 /nfs/dbraw/zinc/71/65/78/347716578.db2.gz WQCSIQNWEYPMMP-YPMHNXCESA-N 0 3 288.347 2.203 20 30 CEEDHN CN(C)CCn1cc(NCC(C)(C)CCC#N)cn1 ZINC000610270842 347667598 /nfs/dbraw/zinc/66/75/98/347667598.db2.gz BLMOBZMXPXEJRG-UHFFFAOYSA-N 0 3 263.389 2.187 20 30 CEEDHN C[C@@H](NCC(C)(C)CO)c1ccc(C#N)c(F)c1 ZINC000611465927 347781775 /nfs/dbraw/zinc/78/17/75/347781775.db2.gz NUGWLBXBIGOFMJ-SNVBAGLBSA-N 0 3 250.317 2.366 20 30 CEEDHN CN1C[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)CCC1=O ZINC000611393113 347772431 /nfs/dbraw/zinc/77/24/31/347772431.db2.gz JUYFARGOAIZWOS-GDBMZVCRSA-N 0 3 283.375 2.146 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCn1ccnc1 ZINC000611390283 347772526 /nfs/dbraw/zinc/77/25/26/347772526.db2.gz OKRPMRGVVXJTMI-INIZCTEOSA-N 0 3 266.348 2.422 20 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C=CCNC(=O)CN1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000613415416 348042242 /nfs/dbraw/zinc/04/22/42/348042242.db2.gz FWDMKWUHZASFHX-BFHYXJOUSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C[C@](C)(O)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000613838355 348113074 /nfs/dbraw/zinc/11/30/74/348113074.db2.gz AQDWWDGKSHMXQL-UNEWFSDZSA-N 0 3 290.407 2.039 20 30 CEEDHN C[S@](=O)c1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000613661439 348085837 /nfs/dbraw/zinc/08/58/37/348085837.db2.gz OAZJKZWYKAAONX-LXIYXOSZSA-N 0 3 262.378 2.206 20 30 CEEDHN C[C@H]1CN(CCCOc2cccc(C#N)c2)[C@@H](C)CN1C ZINC000351925654 219249186 /nfs/dbraw/zinc/24/91/86/219249186.db2.gz FFHGOIAVRMXSFD-GJZGRUSLSA-N 0 3 287.407 2.352 20 30 CEEDHN CN(Cc1ccnc(C#N)c1)CC1(O)CCCCCC1 ZINC000614597574 348220336 /nfs/dbraw/zinc/22/03/36/348220336.db2.gz XILIYMQZHSAFKG-UHFFFAOYSA-N 0 3 273.380 2.470 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@H](C)N(C)C[C@@H]1C ZINC000351944135 219259118 /nfs/dbraw/zinc/25/91/18/219259118.db2.gz JRVPDHVJYDGMTN-STQMWFEESA-N 0 3 273.380 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CEEDHN CCC#C[C@@H](C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618761702 349039244 /nfs/dbraw/zinc/03/92/44/349039244.db2.gz XQIYEDRCWCRDCN-GFCCVEGCSA-N 0 3 276.340 2.230 20 30 CEEDHN N#Cc1cncc(NC[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000401390363 233182903 /nfs/dbraw/zinc/18/29/03/233182903.db2.gz OOAOYBXAFNBIQR-HNNXBMFYSA-N 0 3 293.374 2.282 20 30 CEEDHN Cn1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000334204782 282645122 /nfs/dbraw/zinc/64/51/22/282645122.db2.gz WQGWRCBAHTYGJR-INIZCTEOSA-N 0 3 266.348 2.459 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCN(C)CC1 ZINC000620305857 349338236 /nfs/dbraw/zinc/33/82/36/349338236.db2.gz TWKNRTFTHQGAPG-GASCZTMLSA-N 0 3 262.397 2.428 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000623727351 350094082 /nfs/dbraw/zinc/09/40/82/350094082.db2.gz VOUVWZAVWHYDCE-OLZOCXBDSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)NCC2(N(C)C)CCC2)C1 ZINC000623916074 350141806 /nfs/dbraw/zinc/14/18/06/350141806.db2.gz BTGWKIRYDAWQBK-CYBMUJFWSA-N 0 3 265.401 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C=CCc1cc(CN2C[C@H](O)[C@H](CC)C2)cc(OC)c1O ZINC000271400290 191117542 /nfs/dbraw/zinc/11/75/42/191117542.db2.gz VNIDQQAJKGOFFR-HIFRSBDPSA-N 0 3 291.391 2.332 20 30 CEEDHN CN1CCC2(CCCN2C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000329557729 282728285 /nfs/dbraw/zinc/72/82/85/282728285.db2.gz BYZWKZTWIMGRHN-UONOGXRCSA-N 0 3 290.411 2.153 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000627078348 350827610 /nfs/dbraw/zinc/82/76/10/350827610.db2.gz NMWFQRDPDZDPRA-DZGCQCFKSA-N 0 3 273.380 2.294 20 30 CEEDHN CC#CCCCC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000628965055 351227559 /nfs/dbraw/zinc/22/75/59/351227559.db2.gz VCSAXKCEKAQOOD-OAHLLOKOSA-N 0 3 262.397 2.313 20 30 CEEDHN C=CCc1ccc(OC[C@@H](O)CNC/C=C\C)c(OC)c1 ZINC000629603704 351429487 /nfs/dbraw/zinc/42/94/87/351429487.db2.gz PBGAVDUEAKNTFW-VOKGJARPSA-N 0 3 291.391 2.329 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCCc2cccc(CN)c21 ZINC000629558595 351413480 /nfs/dbraw/zinc/41/34/80/351413480.db2.gz DDTMOGYJTRHCNN-UHFFFAOYSA-N 0 3 299.418 2.099 20 30 CEEDHN C=CCN1CC[C@H](N(C)C2CCC(C)CC2)C1=O ZINC000337133522 366033978 /nfs/dbraw/zinc/03/39/78/366033978.db2.gz MEFOTLMYJDYHKC-RUXDESIVSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCN1CC[C@H](N2CCC(CC)(CC)C2)C1=O ZINC000337171485 366050582 /nfs/dbraw/zinc/05/05/82/366050582.db2.gz FXANLEXGYNVAAY-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000630408198 351730487 /nfs/dbraw/zinc/73/04/87/351730487.db2.gz POWBFRDBOZHWJI-OAHLLOKOSA-N 0 3 273.380 2.055 20 30 CEEDHN C#C[C@H](C)NCc1ccc(OC)c(OC(F)F)c1 ZINC000123112018 187072394 /nfs/dbraw/zinc/07/23/94/187072394.db2.gz MHPXMHYREVAGIO-VIFPVBQESA-N 0 3 255.264 2.408 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2(c3ccccn3)CC2)CC1 ZINC000630944266 351896255 /nfs/dbraw/zinc/89/62/55/351896255.db2.gz WAYYOMLBXSMMDV-UHFFFAOYSA-N 0 3 299.418 2.270 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](CC(C)C)C1 ZINC000072492493 363139263 /nfs/dbraw/zinc/13/92/63/363139263.db2.gz BATCFWYQIOQIRY-HUUCEWRRSA-N 0 3 279.428 2.363 20 30 CEEDHN COCC(C)(C)N(C)Cc1ccc(C#N)cc1OC ZINC000292136770 198177246 /nfs/dbraw/zinc/17/72/46/198177246.db2.gz LXAXCKNEPMAMAX-UHFFFAOYSA-N 0 3 262.353 2.424 20 30 CEEDHN C=CCC[C@@H](O)CN(C)CCOCc1ccccc1 ZINC000152304286 188008626 /nfs/dbraw/zinc/00/86/26/188008626.db2.gz QEXMJAJUJDBYRZ-MRXNPFEDSA-N 0 3 263.381 2.462 20 30 CEEDHN CC(C)OCCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292384928 198267781 /nfs/dbraw/zinc/26/77/81/198267781.db2.gz ZJHFSEQJGTXIJF-OAHLLOKOSA-N 0 3 289.379 2.221 20 30 CEEDHN C=CCN(C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000154762265 188160836 /nfs/dbraw/zinc/16/08/36/188160836.db2.gz MMBHFMBHQSDCGR-UHFFFAOYSA-N 0 3 285.347 2.466 20 30 CEEDHN N#Cc1cccc(CN2CCC(Cn3ccnn3)CC2)c1 ZINC000155933410 188236483 /nfs/dbraw/zinc/23/64/83/188236483.db2.gz RMZGIPVKNGHNQX-UHFFFAOYSA-N 0 3 281.363 2.062 20 30 CEEDHN COC1(C)CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000271684667 191276525 /nfs/dbraw/zinc/27/65/25/191276525.db2.gz DCZBZENQDYIBTM-UHFFFAOYSA-N 0 3 274.364 2.438 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2oc(C)nc2C)CC1 ZINC000073436881 363218273 /nfs/dbraw/zinc/21/82/73/363218273.db2.gz YQUHRXPNIMKNLB-UHFFFAOYSA-N 0 3 277.368 2.062 20 30 CEEDHN CC(C)N1CCN(CCCN(C[C@@H](C)C#N)C2CC2)CC1 ZINC000337321323 366142017 /nfs/dbraw/zinc/14/20/17/366142017.db2.gz PXJGOAPOZBQUIO-INIZCTEOSA-N 0 3 292.471 2.027 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N(C)CC1CCCCC1 ZINC000074158685 363300999 /nfs/dbraw/zinc/30/09/99/363300999.db2.gz LTIWRLBWAOHYTD-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN CC(C)NC(=O)CCNC1(c2cccc(C#N)c2)CC1 ZINC000271737973 191298525 /nfs/dbraw/zinc/29/85/25/191298525.db2.gz BMBRBQWZJQTUPQ-UHFFFAOYSA-N 0 3 271.364 2.052 20 30 CEEDHN N#Cc1c(F)cccc1N1CC[C@H](N2CCCC2)C1 ZINC000072089565 283076275 /nfs/dbraw/zinc/07/62/75/283076275.db2.gz ZKRKQNBHBSKXOT-LBPRGKRZSA-N 0 3 259.328 2.372 20 30 CEEDHN CN1CC[C@@H]2CCN(c3cccc(F)c3C#N)[C@@H]2C1 ZINC000272182027 283079093 /nfs/dbraw/zinc/07/90/93/283079093.db2.gz KKDFHIDXJVMEGU-IAQYHMDHSA-N 0 3 259.328 2.228 20 30 CEEDHN CCCN(CC(=O)N(CCC#N)CCC#N)CC(C)C ZINC000346594255 283091401 /nfs/dbraw/zinc/09/14/01/283091401.db2.gz PVTDCOQZCFTWNW-UHFFFAOYSA-N 0 3 278.400 2.010 20 30 CEEDHN C=C(C)COCCNC[C@H](O)COc1ccccc1Cl ZINC000163838197 540226023 /nfs/dbraw/zinc/22/60/23/540226023.db2.gz KBARJJVPRBJYKH-ZDUSSCGKSA-N 0 3 299.798 2.262 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]2CCC[C@@H]21 ZINC000075768807 363488169 /nfs/dbraw/zinc/48/81/69/363488169.db2.gz XKOMXCSYCMFCAO-CABCVRRESA-N 0 3 262.397 2.452 20 30 CEEDHN CCN1CCC[C@H]1CNc1c(C#N)nnc2ccccc21 ZINC000076323990 363536553 /nfs/dbraw/zinc/53/65/53/363536553.db2.gz OMDHCMKBOGMZJL-LBPRGKRZSA-N 0 3 281.363 2.398 20 30 CEEDHN N#Cc1ccccc1CN[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000372304710 283214537 /nfs/dbraw/zinc/21/45/37/283214537.db2.gz IBTMEQAXRNMAEA-QZTJIDSGSA-N 0 3 299.418 2.291 20 30 CEEDHN N#Cc1ccnc(C(=O)N2CCCC[C@H](N3CCCC3)C2)c1 ZINC000287654750 283219629 /nfs/dbraw/zinc/21/96/29/283219629.db2.gz QPCCLCASCAZJMN-HNNXBMFYSA-N 0 3 298.390 2.044 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](C(=O)N(C)C)C1 ZINC000336282109 213121661 /nfs/dbraw/zinc/12/16/61/213121661.db2.gz ZTQMKAVZEXFQQP-SWLSCSKDSA-N 0 3 271.364 2.029 20 30 CEEDHN C[C@H]1CN(CCCOc2cccc(C#N)c2)C[C@H](C)N1C ZINC000135273263 366419730 /nfs/dbraw/zinc/41/97/30/366419730.db2.gz AUDDHNMITBYJGH-GJZGRUSLSA-N 0 3 287.407 2.352 20 30 CEEDHN COc1ccc(CN[C@@H](C)CC(C)(C)O)cc1C#N ZINC000294925280 199252430 /nfs/dbraw/zinc/25/24/30/199252430.db2.gz BEQXIXLSBPEJOO-NSHDSACASA-N 0 3 262.353 2.206 20 30 CEEDHN C=CCOCCN[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671760180 540504744 /nfs/dbraw/zinc/50/47/44/540504744.db2.gz YJPYVTBZIXGVTO-SNVBAGLBSA-N 0 3 262.309 2.387 20 30 CEEDHN C=CCCn1cc(CN2CCN(C)Cc3ccccc32)nn1 ZINC000668189514 540582356 /nfs/dbraw/zinc/58/23/56/540582356.db2.gz GVGBCFKPZSFFKS-UHFFFAOYSA-N 0 3 297.406 2.306 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCN(CC(F)F)C2)s1 ZINC000418142415 237319713 /nfs/dbraw/zinc/31/97/13/237319713.db2.gz YCOLTYGSSSYMMJ-VIFPVBQESA-N 0 3 271.336 2.049 20 30 CEEDHN C=CC[C@H](CO)CNCc1scnc1C1CC1 ZINC000487574871 540638286 /nfs/dbraw/zinc/63/82/86/540638286.db2.gz NLLXWNIUJXEXCO-JTQLQIEISA-N 0 3 252.383 2.295 20 30 CEEDHN CC[C@H](C)[C@H](C)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000147747473 366576034 /nfs/dbraw/zinc/57/60/34/366576034.db2.gz DLEDXHWJADMVMX-STQMWFEESA-N 0 3 294.420 2.356 20 30 CEEDHN N#Cc1ccc(CN2CCC(Nc3c[nH]cn3)CC2)cc1 ZINC000579218352 366610165 /nfs/dbraw/zinc/61/01/65/366610165.db2.gz GZAHVIADQGGDHQ-UHFFFAOYSA-N 0 3 281.363 2.358 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C#Cc2ccccc2)CC1 ZINC000081687387 363737417 /nfs/dbraw/zinc/73/74/17/363737417.db2.gz ZFPYDLFULBQNQZ-UHFFFAOYSA-N 0 3 282.387 2.195 20 30 CEEDHN C=CCN1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000177740274 189065996 /nfs/dbraw/zinc/06/59/96/189065996.db2.gz LMLFQVDGUREMDR-ZDUSSCGKSA-N 0 3 259.353 2.227 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2nc(C)sc2C)CC1 ZINC000178114890 189091806 /nfs/dbraw/zinc/09/18/06/189091806.db2.gz VEEHGDZOQSCFQK-UHFFFAOYSA-N 0 3 293.436 2.069 20 30 CEEDHN C=CCCOCC(=O)N(CCN(C)C)Cc1cccs1 ZINC000674537978 540761170 /nfs/dbraw/zinc/76/11/70/540761170.db2.gz LJMMHPYJXVMPDD-UHFFFAOYSA-N 0 3 296.436 2.231 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@H](CC)CN1CCCC1 ZINC000675196536 540815839 /nfs/dbraw/zinc/81/58/39/540815839.db2.gz BYTGNKWAZPVPNL-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN C=CCN1CCC(Nc2nc(C)ccc2C#N)CC1 ZINC000179780140 189219828 /nfs/dbraw/zinc/21/98/28/189219828.db2.gz REXYASSINZPOHT-UHFFFAOYSA-N 0 3 256.353 2.324 20 30 CEEDHN CCOC[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000180155004 189240240 /nfs/dbraw/zinc/24/02/40/189240240.db2.gz XGMFWKOEGMDHBH-LLVKDONJSA-N 0 3 250.367 2.478 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1CCCc2ccc(C)cc21 ZINC000180036615 189233631 /nfs/dbraw/zinc/23/36/31/189233631.db2.gz AQZIHQBZXFCDTM-OAHLLOKOSA-N 0 3 258.365 2.264 20 30 CEEDHN C=C(C)[C@H](CO)N(C)CCOc1ccccc1F ZINC000677476353 541017613 /nfs/dbraw/zinc/01/76/13/541017613.db2.gz NXOPCXAYKCFTNL-ZDUSSCGKSA-N 0 3 253.317 2.073 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)Nc2cccc(C#N)c2)CCCN1C ZINC000342348503 216319461 /nfs/dbraw/zinc/31/94/61/216319461.db2.gz VKPUWDHLFITENN-BXUZGUMPSA-N 0 3 272.352 2.162 20 30 CEEDHN C=CCN1CCC(N[C@H](CC)c2nccn2C)CC1 ZINC000182869501 189338107 /nfs/dbraw/zinc/33/81/07/189338107.db2.gz MJGQEGAKKDQLEC-CQSZACIVSA-N 0 3 262.401 2.111 20 30 CEEDHN C=CCOc1ccc(CN2CCC[C@H](CO)C2)cc1 ZINC000154621007 366781752 /nfs/dbraw/zinc/78/17/52/366781752.db2.gz IRKRFTAUFIDEIE-HNNXBMFYSA-N 0 3 261.365 2.456 20 30 CEEDHN C=CCN[C@H](CO)c1cccc(Br)c1 ZINC000183893122 189370264 /nfs/dbraw/zinc/37/02/64/189370264.db2.gz LFCKZIZQJWVHTF-LLVKDONJSA-N 0 3 256.143 2.258 20 30 CEEDHN C=CC[C@H](CO)NCc1cc(OC)c(OC)cc1SC ZINC000184272550 189381147 /nfs/dbraw/zinc/38/11/47/189381147.db2.gz SZJUHMICWFFIFX-GFCCVEGCSA-N 0 3 297.420 2.452 20 30 CEEDHN COCC#CCN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000678744177 541168217 /nfs/dbraw/zinc/16/82/17/541168217.db2.gz ZIVUBDHEDCRYDA-CYBMUJFWSA-N 0 3 277.364 2.313 20 30 CEEDHN COCC#CCN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000678745672 541168355 /nfs/dbraw/zinc/16/83/55/541168355.db2.gz RWXJVFQETURBIX-ZDUSSCGKSA-N 0 3 286.375 2.336 20 30 CEEDHN C=CCOCCNCc1cnc(-c2ccncc2)s1 ZINC000679486406 541279926 /nfs/dbraw/zinc/27/99/26/541279926.db2.gz UKNICCBBDFUBIM-UHFFFAOYSA-N 0 3 275.377 2.497 20 30 CEEDHN CN(CCC#N)C(=O)CCN1CCC(C(F)(F)F)CC1 ZINC000088420374 363895506 /nfs/dbraw/zinc/89/55/06/363895506.db2.gz ZIMFMNTUBJWSLD-UHFFFAOYSA-N 0 3 291.317 2.023 20 30 CEEDHN COC[C@H]1CCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000087833445 363872294 /nfs/dbraw/zinc/87/22/94/363872294.db2.gz XAPUFNZKSRGEMT-ZDUSSCGKSA-N 0 3 260.337 2.035 20 30 CEEDHN COc1ccc(CN2CCN(CC(C)C)CC2)cc1C#N ZINC000087833371 363872683 /nfs/dbraw/zinc/87/26/83/363872683.db2.gz IMKQUQPJSFSZES-UHFFFAOYSA-N 0 3 287.407 2.340 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(Oc2cc(C)ccn2)CC1 ZINC000679865708 541327997 /nfs/dbraw/zinc/32/79/97/541327997.db2.gz FPLYHHPLYPGDOQ-HNNXBMFYSA-N 0 3 276.380 2.170 20 30 CEEDHN N#Cc1ccc(NCCN2CCCOCC2)cc1Cl ZINC000188490214 189504341 /nfs/dbraw/zinc/50/43/41/189504341.db2.gz QNHHDOYGAYXVFN-UHFFFAOYSA-N 0 3 279.771 2.346 20 30 CEEDHN C=C(C)COCCNC[C@H](Cc1ccccc1)OC ZINC000638758172 370729470 /nfs/dbraw/zinc/72/94/70/370729470.db2.gz VILZXURWJYLTKX-INIZCTEOSA-N 0 3 263.381 2.426 20 30 CEEDHN CCN1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000334725344 364237716 /nfs/dbraw/zinc/23/77/16/364237716.db2.gz QAPBBSCXHNGTSM-DLBZAZTESA-N 0 3 297.402 2.216 20 30 CEEDHN C=CC[C@H](CO)CNCc1nc2ccccc2nc1C ZINC000638830343 370779541 /nfs/dbraw/zinc/77/95/41/370779541.db2.gz OVNSRKGXXGRHLR-ZDUSSCGKSA-N 0 3 271.364 2.212 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@H](CC)CCO ZINC000094949546 364314937 /nfs/dbraw/zinc/31/49/37/364314937.db2.gz RMWCKDBLJQHSGN-AWEZNQCLSA-N 0 3 261.365 2.197 20 30 CEEDHN C=C(C)CNC(=O)NCc1ccccc1OCCN(C)C ZINC000156445827 366834279 /nfs/dbraw/zinc/83/42/79/366834279.db2.gz PRYUGOHVOLUHSF-UHFFFAOYSA-N 0 3 291.395 2.002 20 30 CEEDHN CC(C)(C)OC(=O)[C@@H]1CCCN(CCCC#N)C1 ZINC000156661232 366835923 /nfs/dbraw/zinc/83/59/23/366835923.db2.gz GCIJKPJEBPPCDB-GFCCVEGCSA-N 0 3 252.358 2.344 20 30 CEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(C#N)s1 ZINC000335122552 364507643 /nfs/dbraw/zinc/50/76/43/364507643.db2.gz KXCLSNYGTATPIZ-DGCLKSJQSA-N 0 3 289.404 2.319 20 30 CEEDHN N#CCSCCCN1CCOC2(CCCC2)C1 ZINC000158219007 366854113 /nfs/dbraw/zinc/85/41/13/366854113.db2.gz VUSLYARDRCMWKN-UHFFFAOYSA-N 0 3 254.399 2.278 20 30 CEEDHN C=CC1CCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000111444821 364737776 /nfs/dbraw/zinc/73/77/76/364737776.db2.gz WUPXHTJDHFXQJW-UHFFFAOYSA-N 0 3 277.412 2.221 20 30 CEEDHN C=CC1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000111693133 364753330 /nfs/dbraw/zinc/75/33/30/364753330.db2.gz BHVYDARYLOOYNM-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN CCCCN(C)CCNC(=O)c1sccc1C#N ZINC000112309274 364789903 /nfs/dbraw/zinc/78/99/03/364789903.db2.gz QLZJIOAZDLGXOV-UHFFFAOYSA-N 0 3 265.382 2.081 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000335706379 364862467 /nfs/dbraw/zinc/86/24/67/364862467.db2.gz ZSYGEMUPRIVTFU-SWLSCSKDSA-N 0 3 284.359 2.356 20 30 CEEDHN CC(C)C[C@H](CNC(=O)c1sccc1C#N)N(C)C ZINC000114376588 364940676 /nfs/dbraw/zinc/94/06/76/364940676.db2.gz GRRUNUYVDQWPOA-GFCCVEGCSA-N 0 3 279.409 2.326 20 30 CEEDHN C=CC[C@H](C)NC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000116958686 365083218 /nfs/dbraw/zinc/08/32/18/365083218.db2.gz SQIMDQFSEGEUKG-IHRRRGAJSA-N 0 3 267.417 2.371 20 30 CEEDHN C[C@@H]1[C@@H](C)N(Cc2cn3ccccc3c2C#N)CCN1C ZINC000357013116 370803018 /nfs/dbraw/zinc/80/30/18/370803018.db2.gz ZUMIDSQDDCPZGE-ZIAGYGMSSA-N 0 3 282.391 2.335 20 30 CEEDHN CCc1cccc2c1OCC[C@@H]2NC(=O)C(C)C#N ZINC000336001167 365274374 /nfs/dbraw/zinc/27/43/74/365274374.db2.gz SYZCKYZBHJQDIC-GWCFXTLKSA-N 0 3 258.321 2.348 20 30 CEEDHN C=CCN(C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000119401240 365268706 /nfs/dbraw/zinc/26/87/06/365268706.db2.gz ZFRNYKRFKGWYMZ-HOCLYGCPSA-N 0 3 287.407 2.477 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)CC2CCCC2)CC1 ZINC000358813780 260685766 /nfs/dbraw/zinc/68/57/66/260685766.db2.gz FGQWTFJXXGTYHM-UHFFFAOYSA-N 0 3 279.428 2.468 20 30 CEEDHN CN(Cc1cnc2ccc(C#N)cn12)C[C@H]1CCCOC1 ZINC000119744774 365317937 /nfs/dbraw/zinc/31/79/37/365317937.db2.gz VWYUUOSRHQFIOG-CQSZACIVSA-N 0 3 284.363 2.064 20 30 CEEDHN C=C(C)CN[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000121019012 365512748 /nfs/dbraw/zinc/51/27/48/365512748.db2.gz KBPJBPPGYLGDOE-GFCCVEGCSA-N 0 3 282.409 2.164 20 30 CEEDHN C=CCCCN(C)CC(=O)NCc1cccc(OC)c1 ZINC000121082721 365520602 /nfs/dbraw/zinc/52/06/02/365520602.db2.gz POLFROZKWLAVGN-UHFFFAOYSA-N 0 3 276.380 2.209 20 30 CEEDHN C=CCCCN(C)CC(=O)NCc1cccc(COC)c1 ZINC000121091251 365521752 /nfs/dbraw/zinc/52/17/52/365521752.db2.gz SLUPGRCXHJYJKY-UHFFFAOYSA-N 0 3 290.407 2.347 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC[C@H]1C[C@H](C)O ZINC000159228830 366890809 /nfs/dbraw/zinc/89/08/09/366890809.db2.gz TZBCOKPONDVSSJ-WFASDCNBSA-N 0 3 274.364 2.302 20 30 CEEDHN COc1cc(C#N)ccc1CN(C[C@H](C)O)C(C)C ZINC000120902834 365491359 /nfs/dbraw/zinc/49/13/59/365491359.db2.gz HHHCSRFCISKDQI-LBPRGKRZSA-N 0 3 262.353 2.158 20 30 CEEDHN CCC#C[C@@H](C)N1CCOC2(CCOCC2)CC1 ZINC000681099700 541504608 /nfs/dbraw/zinc/50/46/08/541504608.db2.gz PQFRGDVHLIDSKR-CQSZACIVSA-N 0 3 251.370 2.060 20 30 CEEDHN CCC[C@H](C)N1CCN(c2cnccc2C#N)CC1 ZINC000583239935 367019432 /nfs/dbraw/zinc/01/94/32/367019432.db2.gz ZYGKWODJDCWXSA-ZDUSSCGKSA-N 0 3 258.369 2.264 20 30 CEEDHN CC[C@@H](C)CN(CC)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000160584107 367020070 /nfs/dbraw/zinc/02/00/70/367020070.db2.gz VTEZGYRTHSSMBA-DOMZBBRYSA-N 0 3 273.380 2.453 20 30 CEEDHN C=CCCC[C@@H](C)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000340883138 367072343 /nfs/dbraw/zinc/07/23/43/367072343.db2.gz NVVSWMOLDDVKKL-ZIAGYGMSSA-N 0 3 288.457 2.133 20 30 CEEDHN CN(C)Cc1ccccc1NC(=O)c1ccc(C#N)cn1 ZINC000583951763 367120865 /nfs/dbraw/zinc/12/08/65/367120865.db2.gz PNABOQLQMZRRTJ-UHFFFAOYSA-N 0 3 280.331 2.267 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2nc3ccccn3c2C#N)CN1C1CC1 ZINC000583967057 367122721 /nfs/dbraw/zinc/12/27/21/367122721.db2.gz JMLBTIWBDUDEFQ-VXGBXAGGSA-N 0 3 281.363 2.243 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@H]1CCCC[C@@H]1O ZINC000245546353 370836455 /nfs/dbraw/zinc/83/64/55/370836455.db2.gz MEESTWCCLQAWCH-XHSDSOJGSA-N 0 3 294.439 2.058 20 30 CEEDHN C=CC[C@H](CO)CNCc1nccn1Cc1ccccc1 ZINC000341394270 367318894 /nfs/dbraw/zinc/31/88/94/367318894.db2.gz YKKPEDDRTFQJLY-INIZCTEOSA-N 0 3 285.391 2.206 20 30 CEEDHN C[C@@H](CC#N)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000170707458 367400968 /nfs/dbraw/zinc/40/09/68/367400968.db2.gz SSZBFEQNCODDJK-NSHDSACASA-N 0 3 260.341 2.172 20 30 CEEDHN C=CCNC(=O)CN[C@]1(C)CCCc2ccccc21 ZINC000341710766 367373249 /nfs/dbraw/zinc/37/32/49/367373249.db2.gz WOPHMIWZWKOKOA-MRXNPFEDSA-N 0 3 258.365 2.130 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCCCCC#N)CC1 ZINC000171558931 367566933 /nfs/dbraw/zinc/56/69/33/367566933.db2.gz OJZCCTJUVZKGRK-UHFFFAOYSA-N 0 3 278.400 2.020 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000681465851 541552026 /nfs/dbraw/zinc/55/20/26/541552026.db2.gz LFPMTYQCJDOXFN-INIZCTEOSA-N 0 3 293.382 2.132 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000171871038 367631035 /nfs/dbraw/zinc/63/10/35/367631035.db2.gz ISGSZQVZPRRLGU-UHFFFAOYSA-N 0 3 286.375 2.269 20 30 CEEDHN N#CC1(CN2CCCN(Cc3ccccc3)CC2)CC1 ZINC000343244093 367722136 /nfs/dbraw/zinc/72/21/36/367722136.db2.gz BYMXURJVEFRWNN-UHFFFAOYSA-N 0 3 269.392 2.498 20 30 CEEDHN C=CC[C@@H](CO)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000343448024 367820780 /nfs/dbraw/zinc/82/07/80/367820780.db2.gz UKUAJQSYYHPEEE-FZMZJTMJSA-N 0 3 265.328 2.348 20 30 CEEDHN C[C@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1cccc(C#N)c1 ZINC000343605978 367911029 /nfs/dbraw/zinc/91/10/29/367911029.db2.gz LMKYQSSKSBIOQT-RRQGHBQHSA-N 0 3 285.391 2.072 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1cccc(CC#N)c1 ZINC000343609586 367914982 /nfs/dbraw/zinc/91/49/82/367914982.db2.gz NYQORAJCNKEKAH-INIZCTEOSA-N 0 3 285.391 2.357 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1cccc(C#N)c1C ZINC000343621325 367921973 /nfs/dbraw/zinc/92/19/73/367921973.db2.gz HPIZIZGYYFOYTQ-HNNXBMFYSA-N 0 3 285.391 2.471 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CCCN1CCC ZINC000343563036 367886440 /nfs/dbraw/zinc/88/64/40/367886440.db2.gz GADLWXPTKIZZAL-HOCLYGCPSA-N 0 3 282.428 2.206 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000633205687 368108174 /nfs/dbraw/zinc/10/81/74/368108174.db2.gz GFKPSEWOTOQAKB-INIZCTEOSA-N 0 3 262.397 2.287 20 30 CEEDHN C#CCN(CCCNC(C)=O)[C@H]1CCc2ccccc21 ZINC000175120400 368102290 /nfs/dbraw/zinc/10/22/90/368102290.db2.gz BJVXTSMXXTVRDS-KRWDZBQOSA-N 0 3 270.376 2.135 20 30 CEEDHN CC(C)N(Cc1ccc(C#N)cc1F)C[C@@H](C)O ZINC000304006885 201625468 /nfs/dbraw/zinc/62/54/68/201625468.db2.gz TUVXAHYUPBLVNL-LLVKDONJSA-N 0 3 250.317 2.289 20 30 CEEDHN C#CCOc1ccccc1CN1CC[C@H](O)C(C)(C)C1 ZINC000275983142 193180131 /nfs/dbraw/zinc/18/01/31/193180131.db2.gz MSYYCXZSIMDFCO-INIZCTEOSA-N 0 3 273.376 2.291 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000682360269 541652996 /nfs/dbraw/zinc/65/29/96/541652996.db2.gz SZDLCHMPADFHHS-HIFRSBDPSA-N 0 3 250.386 2.189 20 30 CEEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000346173863 368575448 /nfs/dbraw/zinc/57/54/48/368575448.db2.gz UROWTWLFGJJLHG-KBPBESRZSA-N 0 3 257.381 2.473 20 30 CEEDHN C[C@@H](NC[C@]1(CCO)CCOC1)c1ccc(C#N)c(F)c1 ZINC000346180099 368581081 /nfs/dbraw/zinc/58/10/81/368581081.db2.gz LSSHEWWEYRAXTK-WBMJQRKESA-N 0 3 292.354 2.137 20 30 CEEDHN Cc1noc([C@H]2CCN(CCOc3ccccc3C#N)C2)n1 ZINC000346242527 368604805 /nfs/dbraw/zinc/60/48/05/368604805.db2.gz OSGSAOZEYBQZQE-AWEZNQCLSA-N 0 3 298.346 2.118 20 30 CEEDHN C=CCC[C@@H](O)CN[C@H](c1nnc2ccccn21)C(C)C ZINC000347682413 368816773 /nfs/dbraw/zinc/81/67/73/368816773.db2.gz XRNUAJKAFUWITF-HIFRSBDPSA-N 0 3 288.395 2.343 20 30 CEEDHN COc1ccc(CN(C)[C@H](CO)CC(C)C)cc1C#N ZINC000185319897 368787243 /nfs/dbraw/zinc/78/72/43/368787243.db2.gz JWMHYMJRYHTFTL-HNNXBMFYSA-N 0 3 276.380 2.406 20 30 CEEDHN C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H](c1ccccc1)N(C)C ZINC000185942375 368890915 /nfs/dbraw/zinc/89/09/15/368890915.db2.gz MCOWVQXLGOMRCD-LRDDRELGSA-N 0 3 296.374 2.308 20 30 CEEDHN CC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348132888 368912508 /nfs/dbraw/zinc/91/25/08/368912508.db2.gz NGBNKMXKVADYTO-AWEZNQCLSA-N 0 3 269.348 2.403 20 30 CEEDHN CN(Cc1ccc[nH]1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348275433 368980455 /nfs/dbraw/zinc/98/04/55/368980455.db2.gz LYBXSIKTYFYMJQ-OAHLLOKOSA-N 0 3 292.342 2.227 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(OC)cc1OC ZINC000186714496 369026314 /nfs/dbraw/zinc/02/63/14/369026314.db2.gz AYXCECZRYCGYGL-RYUDHWBXSA-N 0 3 265.353 2.291 20 30 CEEDHN COc1ccc(CN2CCC(C)(CO)CC2)cc1C#N ZINC000186950235 369074443 /nfs/dbraw/zinc/07/44/43/369074443.db2.gz UNCICKDRFWYCRY-UHFFFAOYSA-N 0 3 274.364 2.161 20 30 CEEDHN CCS[C@@H]1CCC[C@H]1NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000348480979 369059180 /nfs/dbraw/zinc/05/91/80/369059180.db2.gz SJCRWXXMWGINDA-UMVBOHGHSA-N 0 3 295.452 2.059 20 30 CEEDHN N#Cc1ccc(CNC[C@H](CO)Cc2ccc(F)cc2)o1 ZINC000343665908 216867333 /nfs/dbraw/zinc/86/73/33/216867333.db2.gz KESQUYTVFDSWGG-CYBMUJFWSA-N 0 3 288.322 2.231 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC(N2CCNC2=O)CC1 ZINC000189342106 369501249 /nfs/dbraw/zinc/50/12/49/369501249.db2.gz KPZTWFNPRACWOI-CYBMUJFWSA-N 0 3 298.390 2.109 20 30 CEEDHN C=CCNC(=O)C(C)S(=O)(=O)C(CC)(CC)CC ZINC000350147750 369516671 /nfs/dbraw/zinc/51/66/71/369516671.db2.gz QIDTUMMADBUSND-LLVKDONJSA-N 0 3 275.414 2.061 20 30 CEEDHN CCN(CCC#N)C(=O)CN1C[C@H](C)CCC[C@H]1C ZINC000246583998 370981036 /nfs/dbraw/zinc/98/10/36/370981036.db2.gz FNUGISCJSHTXPS-ZIAGYGMSSA-N 0 3 265.401 2.259 20 30 CEEDHN COc1ccc(CCNC(=O)C(C)C#N)c(Cl)c1 ZINC000351545389 369639573 /nfs/dbraw/zinc/63/95/73/369639573.db2.gz PWYOFKSZKRVGHU-VIFPVBQESA-N 0 3 266.728 2.167 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@H]1c1cc(C)no1 ZINC000351650532 369647512 /nfs/dbraw/zinc/64/75/12/369647512.db2.gz WZAUYHWSTSZDIV-STQMWFEESA-N 0 3 250.342 2.447 20 30 CEEDHN C=C(C)CN(C)Cc1ccc(N(C)CCOC)nc1 ZINC000191458771 369715427 /nfs/dbraw/zinc/71/54/27/369715427.db2.gz MWLAFYNFOPQFKK-UHFFFAOYSA-N 0 3 263.385 2.172 20 30 CEEDHN Cc1noc(C)c1C[C@H](C)NCc1cc(C#N)n(C)c1 ZINC000191145639 369683339 /nfs/dbraw/zinc/68/33/39/369683339.db2.gz UDBVCHWJULBPSS-JTQLQIEISA-N 0 3 272.352 2.222 20 30 CEEDHN CC(C)CN(CCN(C)C)C(=O)c1ccc(F)c(C#N)c1 ZINC000352637742 369816173 /nfs/dbraw/zinc/81/61/73/369816173.db2.gz QRYQAEBIQKYQQY-UHFFFAOYSA-N 0 3 291.370 2.357 20 30 CEEDHN COc1cc(CNCCc2cc(C)no2)ccc1C#N ZINC000353090109 370014610 /nfs/dbraw/zinc/01/46/10/370014610.db2.gz UHCMRKOVPUSEBL-UHFFFAOYSA-N 0 3 271.320 2.196 20 30 CEEDHN C[C@@H](O)C1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000217832369 370201805 /nfs/dbraw/zinc/20/18/05/370201805.db2.gz YLBZSCAVZFIKHX-CQSZACIVSA-N 0 3 288.391 2.420 20 30 CEEDHN C[C@H](O)C1CCN(CCOc2ccccc2C#N)CC1 ZINC000225774698 370316286 /nfs/dbraw/zinc/31/62/86/370316286.db2.gz SJDCHDVXFDBQNB-ZDUSSCGKSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)N(C)C ZINC000354410916 370351351 /nfs/dbraw/zinc/35/13/51/370351351.db2.gz CHVQRTGUSSOBFL-UKRRQHHQSA-N 0 3 273.380 2.140 20 30 CEEDHN CC(C)[C@H](CCO)NCc1ccc(C#N)cc1F ZINC000227598175 370375015 /nfs/dbraw/zinc/37/50/15/370375015.db2.gz OJDGEZHFGUJRFL-AWEZNQCLSA-N 0 3 250.317 2.194 20 30 CEEDHN C=CCCOCCNCc1ccc(OC)c(OC)c1OC ZINC000229879479 370433653 /nfs/dbraw/zinc/43/36/53/370433653.db2.gz HYSLYSJZAZRVBC-UHFFFAOYSA-N 0 3 295.379 2.395 20 30 CEEDHN COc1cc(CNCCc2ccccn2)ccc1C#N ZINC000234911430 370549686 /nfs/dbraw/zinc/54/96/86/370549686.db2.gz ZURMFKUCCPMYEX-UHFFFAOYSA-N 0 3 267.332 2.294 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@]2(CCCOC2)C1 ZINC000355782686 370615419 /nfs/dbraw/zinc/61/54/19/370615419.db2.gz MPRMOUAQNVNXCF-KRWDZBQOSA-N 0 3 292.423 2.080 20 30 CEEDHN C[C@H](Cn1cccn1)NCc1ccc(C#N)c(F)c1 ZINC000358316077 371010520 /nfs/dbraw/zinc/01/05/20/371010520.db2.gz ZFMQDWNNSQITFF-LLVKDONJSA-N 0 3 258.300 2.072 20 30 CEEDHN C=CCN(CCOC)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000358446713 371069285 /nfs/dbraw/zinc/06/92/85/371069285.db2.gz OWNZFMCCBHCGSA-GASCZTMLSA-N 0 3 297.443 2.093 20 30 CEEDHN COc1ccc(CN2[C@H](C)C[C@@H](O)C[C@@H]2C)cc1C#N ZINC000248825559 371251084 /nfs/dbraw/zinc/25/10/84/371251084.db2.gz KBJDZSAQWQUFFL-JJLQDPRZSA-N 0 3 274.364 2.301 20 30 CEEDHN CN(C)CCc1ccccc1NC(=O)c1cnccc1C#N ZINC000359008679 371301297 /nfs/dbraw/zinc/30/12/97/371301297.db2.gz ZHZXXVVRKAVRBI-UHFFFAOYSA-N 0 3 294.358 2.310 20 30 CEEDHN C[C@@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccc(C#N)cc1 ZINC000359315502 371425352 /nfs/dbraw/zinc/42/53/52/371425352.db2.gz DRGBFIQPGONTOM-DOMZBBRYSA-N 0 3 298.390 2.155 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2[C@@H](C)C2(F)F)CC1 ZINC000359321854 371428042 /nfs/dbraw/zinc/42/80/42/371428042.db2.gz VYXQOPOCLOYGFJ-ZYHUDNBSSA-N 0 3 272.339 2.044 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2[C@H](C)C2(F)F)CC1 ZINC000359321850 371428046 /nfs/dbraw/zinc/42/80/46/371428046.db2.gz VYXQOPOCLOYGFJ-CMPLNLGQSA-N 0 3 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NBKIRGLWBCTBLN-LBPRGKRZSA-N 0 3 261.344 2.223 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000261640530 190042177 /nfs/dbraw/zinc/04/21/77/190042177.db2.gz CBNVZQUZLAEMCE-NSHDSACASA-N 0 3 292.354 2.391 20 30 CEEDHN CC(C)(CC#N)CNC(=O)NCc1ccc2c(c1)CNC2 ZINC000418292286 376268645 /nfs/dbraw/zinc/26/86/45/376268645.db2.gz OGCAQHNGGIYPRK-UHFFFAOYSA-N 0 3 286.379 2.029 20 30 CEEDHN N#Cc1ccc(F)c(CN[C@@H](CO)C2CCCC2)c1 ZINC000289641899 376428368 /nfs/dbraw/zinc/42/83/68/376428368.db2.gz UZEXTLQBQCGXHP-HNNXBMFYSA-N 0 3 262.328 2.338 20 30 CEEDHN C=CCCCCCN1C[C@H](C)N(CCO)C[C@@H]1C ZINC000419339696 376444886 /nfs/dbraw/zinc/44/48/86/376444886.db2.gz MLYFCSWHFQVRQY-GJZGRUSLSA-N 0 3 254.418 2.120 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419391261 376450180 /nfs/dbraw/zinc/45/01/80/376450180.db2.gz JKYQFZJCKMMAAW-IHRRRGAJSA-N 0 3 250.386 2.163 20 30 CEEDHN CN(Cc1cc(C#N)cs1)C[C@@H]1CCC[C@H]1O ZINC000305746693 376469112 /nfs/dbraw/zinc/46/91/12/376469112.db2.gz QVEXDYPGTRBQPS-WCQYABFASA-N 0 3 250.367 2.213 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc(F)c(F)cc2F)CC1 ZINC000264173063 190094043 /nfs/dbraw/zinc/09/40/43/190094043.db2.gz COSFXRDZUNUPNP-UHFFFAOYSA-N 0 3 296.292 2.388 20 30 CEEDHN Cc1cnn([C@@H]2CCN(CCOc3ccc(C#N)cc3)C2)c1 ZINC000290006535 376597504 /nfs/dbraw/zinc/59/75/04/376597504.db2.gz UDMNRVJMEQROIZ-MRXNPFEDSA-N 0 3 296.374 2.389 20 30 CEEDHN C=C1CCN(C[C@@H](O)COCc2ccccc2F)CC1 ZINC000264507986 190114883 /nfs/dbraw/zinc/11/48/83/190114883.db2.gz DURWZYUKBDDRQW-OAHLLOKOSA-N 0 3 279.355 2.355 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1nn(C)cc1Cl ZINC000420920751 376738303 /nfs/dbraw/zinc/73/83/03/376738303.db2.gz KASHRGDUKMERCH-UHFFFAOYSA-N 0 3 270.808 2.013 20 30 CEEDHN CC#CCN1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000421027629 376790089 /nfs/dbraw/zinc/79/00/89/376790089.db2.gz TWBQYLZHBZZERY-QWHCGFSZSA-N 0 3 251.370 2.309 20 30 CEEDHN C(#Cc1ccccc1)CN1CCC[C@H](N2CCOCC2)CC1 ZINC000685412750 542134153 /nfs/dbraw/zinc/13/41/53/542134153.db2.gz RKNGXRMGIXGMHA-IBGZPJMESA-N 0 3 298.430 2.225 20 30 CEEDHN C[C@@H](C#N)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000323941552 376836701 /nfs/dbraw/zinc/83/67/01/376836701.db2.gz UDFDWHRIQCHJAT-CABCVRRESA-N 0 3 285.391 2.127 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)CN1C1CC1 ZINC000328639113 376869056 /nfs/dbraw/zinc/86/90/56/376869056.db2.gz DMFHEHZUHNJFNF-JRPNMDOOSA-N 0 3 279.384 2.325 20 30 CEEDHN C[C@@H]1NC(=O)CC[C@H]1NC(=O)C1CCN(C2CC2)CC1 ZINC000328690734 376878978 /nfs/dbraw/zinc/87/89/78/376878978.db2.gz DOPDLVVAAJOGSM-GXFFZTMASA-N 0 3 279.384 2.325 20 30 CEEDHN Cc1noc(C2CCN([C@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000328740362 376889952 /nfs/dbraw/zinc/88/99/52/376889952.db2.gz IKKILZJVSXNOLJ-AAEUAGOBSA-N 0 3 260.341 2.250 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H](C)CC(=O)N2)CCN1C ZINC000328831409 376906691 /nfs/dbraw/zinc/90/66/91/376906691.db2.gz KICKOAKABQDPTB-QCNOEVLYSA-N 0 3 267.373 2.181 20 30 CEEDHN C=CCc1cc(OC)ccc1OC[C@@H](O)CN(C)C1CC1 ZINC000290771210 376916473 /nfs/dbraw/zinc/91/64/73/376916473.db2.gz LOUITLZMCIQEGS-HNNXBMFYSA-N 0 3 291.391 2.258 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000562525178 376918320 /nfs/dbraw/zinc/91/83/20/376918320.db2.gz IHWHYVOYENTEQQ-VXGBXAGGSA-N 0 3 275.308 2.255 20 30 CEEDHN CN(C[C@@H](O)COc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000290837369 376946995 /nfs/dbraw/zinc/94/69/95/376946995.db2.gz VLKDKLOBOPCPND-GFCCVEGCSA-N 0 3 280.755 2.046 20 30 CEEDHN Cc1nc(NCCN(C)C2CC2)c(Cl)cc1C#N ZINC000290989465 377017688 /nfs/dbraw/zinc/01/76/88/377017688.db2.gz RMDIBPZKRVNRGX-UHFFFAOYSA-N 0 3 264.760 2.421 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(F)cc1 ZINC000562735563 376989671 /nfs/dbraw/zinc/98/96/71/376989671.db2.gz GANKXZBGHSLUDJ-KGLIPLIRSA-N 0 3 278.327 2.087 20 30 CEEDHN CCN1CCCC[C@H]1CNc1nnc(C)c(C)c1C#N ZINC000264698100 190129661 /nfs/dbraw/zinc/12/96/61/190129661.db2.gz DNLFRMRNHYPGPR-ZDUSSCGKSA-N 0 3 273.384 2.251 20 30 CEEDHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)N1CCCC1 ZINC000563189147 377119286 /nfs/dbraw/zinc/11/92/86/377119286.db2.gz ZYGFZRRHOJWMMZ-XOKHGSTOSA-N 0 3 297.402 2.262 20 30 CEEDHN CCN(Cc1ccc(C#N)c(OC)c1)C[C@@H](C)OC ZINC000291137277 377087361 /nfs/dbraw/zinc/08/73/61/377087361.db2.gz XISYVXPANYTWEF-GFCCVEGCSA-N 0 3 262.353 2.424 20 30 CEEDHN C#CCSCCNCc1cc(F)ccc1OC ZINC000291324792 377173783 /nfs/dbraw/zinc/17/37/83/377173783.db2.gz ZFQAFQFFCJNWBW-UHFFFAOYSA-N 0 3 253.342 2.290 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1cc(C#N)ccc1F ZINC000330943973 377207672 /nfs/dbraw/zinc/20/76/72/377207672.db2.gz GAGPEIXITPGCDX-TXEJJXNPSA-N 0 3 289.354 2.186 20 30 CEEDHN C=CCSCCNCc1cnnn1Cc1ccccc1 ZINC000291878493 377214871 /nfs/dbraw/zinc/21/48/71/377214871.db2.gz GSSWULKXVZCDGO-UHFFFAOYSA-N 0 3 288.420 2.335 20 30 CEEDHN C[C@]1(CO)CCC[C@@H]1NCc1cc(C#N)ccc1F ZINC000331007406 377236064 /nfs/dbraw/zinc/23/60/64/377236064.db2.gz MCHKIHCBIBTMCO-LSDHHAIUSA-N 0 3 262.328 2.338 20 30 CEEDHN CC#CC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000292621392 377258544 /nfs/dbraw/zinc/25/85/44/377258544.db2.gz ONWIGHIZBGCAOM-INIZCTEOSA-N 0 3 288.391 2.216 20 30 CEEDHN CC[C@@H](C)n1ncc(C(=O)N[C@@H](C)CN(C)C)c1C ZINC000330685744 377199812 /nfs/dbraw/zinc/19/98/12/377199812.db2.gz UTRCAWVYPPEQCG-WDEREUQCSA-N 0 3 266.389 2.417 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424968743 377314625 /nfs/dbraw/zinc/31/46/25/377314625.db2.gz XQDJZSNEZUIILF-ARFHVFGLSA-N 0 3 292.342 2.049 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425057608 377328706 /nfs/dbraw/zinc/32/87/06/377328706.db2.gz MQSOWHRDYWQSDJ-LSDHHAIUSA-N 0 3 262.397 2.307 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@H](O)[C@H](C)CC ZINC000264901687 190143108 /nfs/dbraw/zinc/14/31/08/190143108.db2.gz ZIPYCBQMUTVDDO-UKRRQHHQSA-N 0 3 261.365 2.195 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000424759850 377292085 /nfs/dbraw/zinc/29/20/85/377292085.db2.gz WOGFDQBUSNSZFM-NEPJUHHUSA-N 0 3 270.442 2.093 20 30 CEEDHN C#CCOc1ccc(CN2CC[C@H](O)C[C@@H]2C)cc1 ZINC000292808435 377292597 /nfs/dbraw/zinc/29/25/97/377292597.db2.gz OKCZWDPXWRKSCK-ZFWWWQNUSA-N 0 3 259.349 2.044 20 30 CEEDHN C=CCN1CCC(NC(=O)c2oc(C(C)C)nc2C)CC1 ZINC000292938126 377361123 /nfs/dbraw/zinc/36/11/23/377361123.db2.gz XNXFVWIPPGQHBJ-UHFFFAOYSA-N 0 3 291.395 2.487 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000426066823 377393219 /nfs/dbraw/zinc/39/32/19/377393219.db2.gz MPENKOLZBOADHF-HZSPNIEDSA-N 0 3 265.401 2.219 20 30 CEEDHN C=CCN(C)Cc1ccc(OCC(=O)OCC)cc1 ZINC000428377067 377491570 /nfs/dbraw/zinc/49/15/70/377491570.db2.gz WUSDYVVCQOUWRN-UHFFFAOYSA-N 0 3 263.337 2.246 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1nc(-c2ccco2)no1 ZINC000429722817 377520067 /nfs/dbraw/zinc/52/00/67/377520067.db2.gz TWSIAGHXYXIWDS-UHFFFAOYSA-N 0 3 290.367 2.269 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@H]1C[C@H](OC)C1(CC)CC ZINC000429311326 377514028 /nfs/dbraw/zinc/51/40/28/377514028.db2.gz QUHVETWGTAHCEN-GJZGRUSLSA-N 0 3 294.439 2.370 20 30 CEEDHN CCC[C@H](C)[C@H](CO)NCc1cc(C#N)ccc1OC ZINC000565047419 377542537 /nfs/dbraw/zinc/54/25/37/377542537.db2.gz HLNRYNRUJYSLJK-WFASDCNBSA-N 0 3 276.380 2.454 20 30 CEEDHN C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)[C@H]1C ZINC000293409160 377555878 /nfs/dbraw/zinc/55/58/78/377555878.db2.gz MGQYATUFZRHVRF-NEPJUHHUSA-N 0 3 257.337 2.227 20 30 CEEDHN CN(CCNc1cccc(C#N)n1)Cc1ccccc1 ZINC000265561494 190190362 /nfs/dbraw/zinc/19/03/62/190190362.db2.gz SOJCZTWRQOHGPQ-UHFFFAOYSA-N 0 3 266.348 2.497 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](CC)c1ccc(F)cc1F ZINC000265666808 190198787 /nfs/dbraw/zinc/19/87/87/190198787.db2.gz UMRNWRSUWQQOQX-AWEZNQCLSA-N 0 3 280.318 2.145 20 30 CEEDHN C[C@@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000265801371 190207856 /nfs/dbraw/zinc/20/78/56/190207856.db2.gz BXSCHULKAOJPQP-ZIAGYGMSSA-N 0 3 285.391 2.295 20 30 CEEDHN C=CCN1CCC(Nc2nc3ccc(F)cc3n2C)CC1 ZINC000431412344 377639273 /nfs/dbraw/zinc/63/92/73/377639273.db2.gz FQULCXKFBFIFAL-UHFFFAOYSA-N 0 3 288.370 2.197 20 30 CEEDHN C=C(CC)CNC[C@H](O)COc1ccc(C(C)=O)cc1 ZINC000566120781 377728292 /nfs/dbraw/zinc/72/82/92/377728292.db2.gz WEJAUVJCTZKASZ-HNNXBMFYSA-N 0 3 277.364 2.185 20 30 CEEDHN CCN(C)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433038489 377779079 /nfs/dbraw/zinc/77/90/79/377779079.db2.gz HLKZLGYVHRGGAM-HNNXBMFYSA-N 0 3 273.380 2.489 20 30 CEEDHN C=CCOc1ccccc1CNC[C@H]1CCCC(=O)N1 ZINC000433191079 377782144 /nfs/dbraw/zinc/78/21/44/377782144.db2.gz UBVBRTPDQZKUBI-CQSZACIVSA-N 0 3 274.364 2.010 20 30 CEEDHN C[C@H]1CCN(CC(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000567178039 377810173 /nfs/dbraw/zinc/81/01/73/377810173.db2.gz UYSJKPQFYAQZKP-GOEBONIOSA-N 0 3 285.391 2.489 20 30 CEEDHN CN(Cc1cnccn1)C(=O)C(C#N)CCc1ccccc1 ZINC000433359051 377792493 /nfs/dbraw/zinc/79/24/93/377792493.db2.gz GPAHEUBPWHOTGK-HNNXBMFYSA-N 0 3 294.358 2.208 20 30 CEEDHN CCCOc1cccc(CCNC(=O)C(C)C#N)c1 ZINC000434362032 377797484 /nfs/dbraw/zinc/79/74/84/377797484.db2.gz KIMLHQAFCJUSJS-LBPRGKRZSA-N 0 3 260.337 2.294 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000434439364 377798961 /nfs/dbraw/zinc/79/89/61/377798961.db2.gz PIZUBIWVSOWRBV-MJBXVCDLSA-N 0 3 277.412 2.400 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000294425133 377987941 /nfs/dbraw/zinc/98/79/41/377987941.db2.gz DRGABLZXVOYYHA-NSHDSACASA-N 0 3 298.308 2.496 20 30 CEEDHN C=CCC[C@H](O)CN(C)Cc1ncc(C)c(OC)c1C ZINC000295151680 378044898 /nfs/dbraw/zinc/04/48/98/378044898.db2.gz MBQGBNCHDCJBDL-AWEZNQCLSA-N 0 3 278.396 2.466 20 30 CEEDHN COCCCOc1cc(C)ccc1CNC(=O)C(C)C#N ZINC000446504342 378085862 /nfs/dbraw/zinc/08/58/62/378085862.db2.gz KRYNBVLHVDXNME-CYBMUJFWSA-N 0 3 290.363 2.186 20 30 CEEDHN C=CCOc1ccc(CC(=O)NC[C@@H]2CCCN2C)cc1 ZINC000294885649 378026879 /nfs/dbraw/zinc/02/68/79/378026879.db2.gz FCUFUOWERWIJDF-HNNXBMFYSA-N 0 3 288.391 2.004 20 30 CEEDHN CCC1(CC)CCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000446721579 378086646 /nfs/dbraw/zinc/08/66/46/378086646.db2.gz VPMOGLBZZOGMLN-ZDUSSCGKSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@]1(C#N)C[C@H]1C)C(C)C ZINC000448977561 378196509 /nfs/dbraw/zinc/19/65/09/378196509.db2.gz YUIUIXRHCKDFIJ-INMHGKMJSA-N 0 3 289.423 2.351 20 30 CEEDHN CC1(C#N)CCC(N[C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000449246208 378199977 /nfs/dbraw/zinc/19/99/77/378199977.db2.gz CYNAOEDJKWEURR-BBBYJDLNSA-N 0 3 289.354 2.414 20 30 CEEDHN N#Cc1ccc(CN2CCC(NC(CF)CF)CC2)cc1 ZINC000449380748 378208031 /nfs/dbraw/zinc/20/80/31/378208031.db2.gz OSKQSPHBTRPWLG-UHFFFAOYSA-N 0 3 293.361 2.420 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnn(CC(C)C)c1 ZINC000449549591 378216503 /nfs/dbraw/zinc/21/65/03/378216503.db2.gz ZJSYMSQNLQFJSQ-CABCVRRESA-N 0 3 263.385 2.362 20 30 CEEDHN COC[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000449772391 378228582 /nfs/dbraw/zinc/22/85/82/378228582.db2.gz GYXHWERTYXJPQR-CQSZACIVSA-N 0 3 298.390 2.454 20 30 CEEDHN C[C@@H](NCc1cc(C#N)ccc1Br)[C@H](C)CO ZINC000295670231 378259335 /nfs/dbraw/zinc/25/93/35/378259335.db2.gz FZMCPLBQRNUAJX-NXEZZACHSA-N 0 3 297.196 2.427 20 30 CEEDHN C[C@H](CO)[C@H](C)NCc1cc(C#N)ccc1Br ZINC000295670236 378259360 /nfs/dbraw/zinc/25/93/60/378259360.db2.gz FZMCPLBQRNUAJX-ZJUUUORDSA-N 0 3 297.196 2.427 20 30 CEEDHN CCC[C@H](O)CNC(=O)C(C#N)CCc1ccccc1 ZINC000450175309 378317307 /nfs/dbraw/zinc/31/73/07/378317307.db2.gz FTZNHKROSUQTGZ-GJZGRUSLSA-N 0 3 274.364 2.036 20 30 CEEDHN C[C@@H]1C[C@]1(C#N)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000450106856 378295496 /nfs/dbraw/zinc/29/54/96/378295496.db2.gz POQQYMKHXJHTTB-AHEZYBDSSA-N 0 3 297.402 2.315 20 30 CEEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H]2COC[C@H]2O)cc1 ZINC000295982526 378380973 /nfs/dbraw/zinc/38/09/73/378380973.db2.gz OVWPDXQBDQJNLW-NILFDRSVSA-N 0 3 297.782 2.228 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(F)ncc1F ZINC000296965758 378660447 /nfs/dbraw/zinc/66/04/47/378660447.db2.gz UOJFBHAJGIUHAC-HZMBPMFUSA-N 0 3 268.307 2.431 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCc2cccc(C)c2C1 ZINC000296777691 378645164 /nfs/dbraw/zinc/64/51/64/378645164.db2.gz GULMEICPJXZZJR-UHFFFAOYSA-N 0 3 299.418 2.018 20 30 CEEDHN CN(C(=O)/C=C/c1ccc(C#N)cc1)[C@@H]1CCCN(C)C1 ZINC000266158028 190235622 /nfs/dbraw/zinc/23/56/22/190235622.db2.gz PYOOMDJKCMBVIV-ZNFPLGDCSA-N 0 3 283.375 2.124 20 30 CEEDHN COC[C@@](C)(O)CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000453268651 378849567 /nfs/dbraw/zinc/84/95/67/378849567.db2.gz ZULUXSQUCSRQKJ-ABAIWWIYSA-N 0 3 280.343 2.135 20 30 CEEDHN C[C@H](Cc1cnccn1)NCc1ccc(C#N)c(F)c1 ZINC000453391227 378883118 /nfs/dbraw/zinc/88/31/18/378883118.db2.gz SUAWEMXZHOMYJL-LLVKDONJSA-N 0 3 270.311 2.208 20 30 CEEDHN CN(CC(=O)NCc1ccc(C#N)cc1)C(C1CC1)C1CC1 ZINC000299474420 379011850 /nfs/dbraw/zinc/01/18/50/379011850.db2.gz UNHXICSUBBWUGW-UHFFFAOYSA-N 0 3 297.402 2.295 20 30 CEEDHN CN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCCC[C@H]1O ZINC000300454453 379174089 /nfs/dbraw/zinc/17/40/89/379174089.db2.gz PUBOSHSIUDHFMR-HUUCEWRRSA-N 0 3 262.328 2.433 20 30 CEEDHN N#Cc1cc(F)ccc1N1CCN(c2ccncc2)CC1 ZINC000301368380 379267977 /nfs/dbraw/zinc/26/79/77/379267977.db2.gz RHBNSNRGLDNVGV-UHFFFAOYSA-N 0 3 282.322 2.419 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)NCC#Cc2ccccc2)CCN1C ZINC000266694191 190275950 /nfs/dbraw/zinc/27/59/50/190275950.db2.gz UYUMULHDBZJTCZ-NVXWUHKLSA-N 0 3 299.418 2.162 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457101039 379668647 /nfs/dbraw/zinc/66/86/47/379668647.db2.gz XPOURZAGIMEFRD-HOCLYGCPSA-N 0 3 282.428 2.156 20 30 CEEDHN C[C@@H]1CCCN(CCOc2ccc(C#N)cc2)[C@@H]1CO ZINC000305185597 379676541 /nfs/dbraw/zinc/67/65/41/379676541.db2.gz PIYOMFQBYVHCDN-CZUORRHYSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@@H]1CCC(C)(C)N1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000331689881 296301435 /nfs/dbraw/zinc/30/14/35/296301435.db2.gz SKTHYDDYKDLLOT-IAQYHMDHSA-N 0 3 263.385 2.058 20 30 CEEDHN C=CCN1CCC(NC(=O)c2conc2C(C)C)CC1 ZINC000528451822 379974743 /nfs/dbraw/zinc/97/47/43/379974743.db2.gz ZNFIONQDMWZRFC-UHFFFAOYSA-N 0 3 277.368 2.178 20 30 CEEDHN C=CCCCCCN1CCN(C(C)(C)C(=O)OC)CC1 ZINC000488097306 380093258 /nfs/dbraw/zinc/09/32/58/380093258.db2.gz MZPZAHWOEVGFCV-UHFFFAOYSA-N 0 3 282.428 2.302 20 30 CEEDHN COCCOC[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000488446424 380094999 /nfs/dbraw/zinc/09/49/99/380094999.db2.gz KHRRBPJJBBZEFX-MRXNPFEDSA-N 0 3 288.391 2.352 20 30 CEEDHN CCC(C#N)(CC)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000529471371 380176610 /nfs/dbraw/zinc/17/66/10/380176610.db2.gz LTCPZEPTIZTTMK-ZDUSSCGKSA-N 0 3 265.401 2.257 20 30 CEEDHN COC[C@]1(N[C@H]2CC[C@H](C#N)C2)COc2ccccc2C1 ZINC000529669912 380183262 /nfs/dbraw/zinc/18/32/62/380183262.db2.gz WWPFKFNGHYVEJN-QRTARXTBSA-N 0 3 286.375 2.289 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000529681256 380184432 /nfs/dbraw/zinc/18/44/32/380184432.db2.gz WZHDUMJECLIZNJ-SZOBPAOMSA-N 0 3 260.724 2.254 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000529716481 380185354 /nfs/dbraw/zinc/18/53/54/380185354.db2.gz MDQGKOGQNFKTLE-XHSDSOJGSA-N 0 3 292.423 2.101 20 30 CEEDHN C[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)N1CCCC1 ZINC000538596260 380245940 /nfs/dbraw/zinc/24/59/40/380245940.db2.gz JMLDCVAYIWOGJJ-AWEZNQCLSA-N 0 3 297.402 2.456 20 30 CEEDHN C[C@@H](C(=O)N1CCC(CC#N)CC1)N1[C@H](C)CC[C@@H]1C ZINC000541048457 380267098 /nfs/dbraw/zinc/26/70/98/380267098.db2.gz XYCMGXYYWMDDGK-MJBXVCDLSA-N 0 3 277.412 2.400 20 30 CEEDHN CCc1nncn1CCN[C@@H](C)c1cccc(C#N)c1 ZINC000545264923 380375710 /nfs/dbraw/zinc/37/57/10/380375710.db2.gz OXAHXEZCZFEZSZ-LBPRGKRZSA-N 0 3 269.352 2.063 20 30 CEEDHN C[C@@H]1CCN(C)CCN1C(=O)/C=C\c1cccc(C#N)c1 ZINC000491848639 380359210 /nfs/dbraw/zinc/35/92/10/380359210.db2.gz RYQQBYIWQSGUOA-LMVHVUTASA-N 0 3 283.375 2.124 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C\c2ncccc2C)CC1 ZINC000492548298 380599972 /nfs/dbraw/zinc/59/99/72/380599972.db2.gz IXCYNFLEOUEOKN-SREVYHEPSA-N 0 3 285.391 2.170 20 30 CEEDHN CC(C#N)C(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000493074915 380787156 /nfs/dbraw/zinc/78/71/56/380787156.db2.gz SKFMAPHLFCBJIW-NSHDSACASA-N 0 3 295.383 2.004 20 30 CEEDHN CN(C)C/C=C\C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000493114647 380803941 /nfs/dbraw/zinc/80/39/41/380803941.db2.gz HOMBGCVZILLCEB-HYXAFXHYSA-N 0 3 275.327 2.190 20 30 CEEDHN CC(C#N)C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000494382536 381155479 /nfs/dbraw/zinc/15/54/79/381155479.db2.gz RWFIZUPGFQVPFO-WOPDTQHZSA-N 0 3 295.383 2.002 20 30 CEEDHN C#CCCCN1CCCN(C(=O)OCC(C)C)CC1 ZINC000494329193 381156462 /nfs/dbraw/zinc/15/64/62/381156462.db2.gz CDYCUXYNXDGIJJ-UHFFFAOYSA-N 0 3 266.385 2.200 20 30 CEEDHN C=CCOCCN1CCCC[C@@H]1COC(=O)N(C)CC ZINC000495591658 381176689 /nfs/dbraw/zinc/17/66/89/381176689.db2.gz GWULTNWIGHQBRV-CQSZACIVSA-N 0 3 284.400 2.132 20 30 CEEDHN C=CCOCCNCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000380450404 542338316 /nfs/dbraw/zinc/33/83/16/542338316.db2.gz PPGMSKFVLBLJCZ-GFCCVEGCSA-N 0 3 277.364 2.311 20 30 CEEDHN C#CCn1ccc(CN(CC)CCN2CCC(C)CC2)n1 ZINC000279758459 194556124 /nfs/dbraw/zinc/55/61/24/194556124.db2.gz RAIURVGCCBDRBW-UHFFFAOYSA-N 0 3 288.439 2.070 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000335009439 207458894 /nfs/dbraw/zinc/45/88/94/207458894.db2.gz VBYUYEMFYJQWHV-OAHLLOKOSA-N 0 3 286.379 2.425 20 30 CEEDHN CSc1ccc(F)cc1CNC(=O)C(C)C#N ZINC000347205398 532970954 /nfs/dbraw/zinc/97/09/54/532970954.db2.gz DGLUPYDFHMTFKD-MRVPVSSYSA-N 0 3 252.314 2.323 20 30 CEEDHN CCC[C@]1(CO)CCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000288648109 197136161 /nfs/dbraw/zinc/13/61/61/197136161.db2.gz AZEAANNQQFKBLH-IRXDYDNUSA-N 0 3 288.391 2.076 20 30 CEEDHN CCN(CCNC(=O)C1(C#N)CCCCC1)C1CC1 ZINC000227552719 260026023 /nfs/dbraw/zinc/02/60/23/260026023.db2.gz XYDKSTIGQGNVSJ-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCC(C)(C(C)C)CC1 ZINC000186194307 262312951 /nfs/dbraw/zinc/31/29/51/262312951.db2.gz CBHZMENQUXPYKA-CYBMUJFWSA-N 0 3 252.402 2.435 20 30 CEEDHN CC[C@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CCCO1 ZINC000281564894 195290646 /nfs/dbraw/zinc/29/06/46/195290646.db2.gz YOMVAVVYDAHJSG-HOTGVXAUSA-N 0 3 274.364 2.093 20 30 CEEDHN Cc1cc(NCCN2CCCC2)c(C#N)cc1[N+](=O)[O-] ZINC000413029727 394467500 /nfs/dbraw/zinc/46/75/00/394467500.db2.gz SULYPLQTFCSQRJ-UHFFFAOYSA-N 0 3 274.324 2.283 20 30 CEEDHN CN1CC[C@H]2[C@H](CCCN2c2ncc(C#N)cc2F)C1 ZINC000413192371 394500940 /nfs/dbraw/zinc/50/09/40/394500940.db2.gz IOZWBILIBWHMGY-OCCSQVGLSA-N 0 3 274.343 2.013 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000413227139 394508110 /nfs/dbraw/zinc/50/81/10/394508110.db2.gz APOLVEANCAZOJH-ZIAGYGMSSA-N 0 3 289.379 2.085 20 30 CEEDHN CC(C)(O)[C@@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000305734025 394511154 /nfs/dbraw/zinc/51/11/54/394511154.db2.gz LFQYGKXKPKPHFY-HNNXBMFYSA-N 0 3 261.340 2.413 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)NCc1noc(C2CC2)n1 ZINC000328994516 394559579 /nfs/dbraw/zinc/55/95/79/394559579.db2.gz UBZFCLUCAKKHFZ-LLVKDONJSA-N 0 3 278.356 2.278 20 30 CEEDHN O=C(N[C@@H]1CC12CCCCC2)N[C@@H]1CCc2[nH]cnc2C1 ZINC000329620307 394577210 /nfs/dbraw/zinc/57/72/10/394577210.db2.gz REFSAPIRRUIIOA-BXUZGUMPSA-N 0 3 288.395 2.493 20 30 CEEDHN O=C(N[C@@H]1CC12CCCCC2)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329620307 394577213 /nfs/dbraw/zinc/57/72/13/394577213.db2.gz REFSAPIRRUIIOA-BXUZGUMPSA-N 0 3 288.395 2.493 20 30 CEEDHN C[C@H](NC(=O)CC1(O)CCCC1)C1=CCN(C)CC1 ZINC000329714340 394580780 /nfs/dbraw/zinc/58/07/80/394580780.db2.gz SUTLRVKGFQZGGX-LBPRGKRZSA-N 0 3 266.385 2.289 20 30 CEEDHN CC(C)CN(CCN(C)C)C(=O)Cc1ccc(C#N)cc1 ZINC000070159205 394586022 /nfs/dbraw/zinc/58/60/22/394586022.db2.gz HCTRODDUENSQOR-UHFFFAOYSA-N 0 3 287.407 2.147 20 30 CEEDHN C=CCC[C@H](O)CN[C@@H](C[S@](C)=O)c1ccccc1 ZINC000248556305 394543015 /nfs/dbraw/zinc/54/30/15/394543015.db2.gz IHRMTTXCWMVWEX-DOXZYTNZSA-N 0 3 281.421 2.023 20 30 CEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(CC#N)cc2)C1 ZINC000330489951 394615662 /nfs/dbraw/zinc/61/56/62/394615662.db2.gz LHTTYAUJLCLSFW-CJNGLKHVSA-N 0 3 285.391 2.211 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000330608369 394620365 /nfs/dbraw/zinc/62/03/65/394620365.db2.gz LABZADZGRYIEPR-ZDUSSCGKSA-N 0 3 260.341 2.065 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000330640249 394623606 /nfs/dbraw/zinc/62/36/06/394623606.db2.gz CIYLJJIHXVPDRF-NFAWXSAZSA-N 0 3 265.401 2.304 20 30 CEEDHN COc1ccc(CN2CCC[C@H]([C@H](C)O)C2)cc1C#N ZINC000089931869 394651939 /nfs/dbraw/zinc/65/19/39/394651939.db2.gz DZZRXTZJYCDCHR-JSGCOSHPSA-N 0 3 274.364 2.160 20 30 CEEDHN CC(C#N)C(=O)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000334323207 394675053 /nfs/dbraw/zinc/67/50/53/394675053.db2.gz JKXGSCXDEXWZRO-LLVKDONJSA-N 0 3 298.321 2.056 20 30 CEEDHN C[C@H]1[C@H](C)N(Cc2cn3ccccc3c2C#N)CCN1C ZINC000357013113 394682582 /nfs/dbraw/zinc/68/25/82/394682582.db2.gz ZUMIDSQDDCPZGE-KBPBESRZSA-N 0 3 282.391 2.335 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(CC#N)cc2)[C@@H](C)CN1C ZINC000334414261 394683920 /nfs/dbraw/zinc/68/39/20/394683920.db2.gz MYVKCENWXKDTEE-KGLIPLIRSA-N 0 3 257.381 2.277 20 30 CEEDHN COCC[C@@H](C)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000268007817 394687581 /nfs/dbraw/zinc/68/75/81/394687581.db2.gz GDCDKTSAPFKNQH-OAHLLOKOSA-N 0 3 287.407 2.101 20 30 CEEDHN COc1ccc(CN[C@H]2CCCc3cn[nH]c32)cc1C#N ZINC000268856891 394701109 /nfs/dbraw/zinc/70/11/09/394701109.db2.gz RBWCICIKNRJVOH-AWEZNQCLSA-N 0 3 282.347 2.457 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN(CCO)C1CC1 ZINC000268990883 394706131 /nfs/dbraw/zinc/70/61/31/394706131.db2.gz RWESHFRFCABQFS-UHFFFAOYSA-N 0 3 258.365 2.444 20 30 CEEDHN C[C@H](C(=O)N1CCC(F)(C#N)CC1)N1CCCCCC1 ZINC000359349387 394748350 /nfs/dbraw/zinc/74/83/50/394748350.db2.gz LQZMHNUBQPRDMH-CYBMUJFWSA-N 0 3 281.375 2.105 20 30 CEEDHN CC(C)(C#N)CCN1CCCC[C@H]1CN1CCOCC1 ZINC000119650569 394770083 /nfs/dbraw/zinc/77/00/83/394770083.db2.gz FDWZOOSHVGIUIF-HNNXBMFYSA-N 0 3 279.428 2.113 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)NCC(C)(C)CCC#N ZINC000359757630 394773315 /nfs/dbraw/zinc/77/33/15/394773315.db2.gz NTTVUMRRFVHSOQ-CYBMUJFWSA-N 0 3 265.401 2.307 20 30 CEEDHN CC(C#N)C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1 ZINC000335688962 394788828 /nfs/dbraw/zinc/78/88/28/394788828.db2.gz SVYKREANUIBIDB-ZFWWWQNUSA-N 0 3 271.364 2.273 20 30 CEEDHN CC1CCC(N2CCN(C(=O)CCCC#N)CC2)CC1 ZINC000360206093 394793075 /nfs/dbraw/zinc/79/30/75/394793075.db2.gz YMIHTDVCRRZORL-UHFFFAOYSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCCC[C@@H](C)Sc1nnnn1CCN(C)C ZINC000360563140 394803027 /nfs/dbraw/zinc/80/30/27/394803027.db2.gz NQEWOWBQMWGDCW-LLVKDONJSA-N 0 3 269.418 2.072 20 30 CEEDHN Cc1cc(CCNC(=O)C(C)C#N)ccc1Cl ZINC000360621991 394803394 /nfs/dbraw/zinc/80/33/94/394803394.db2.gz RDSAEYRGPLCXKE-SNVBAGLBSA-N 0 3 250.729 2.467 20 30 CEEDHN CC(C#N)C(=O)N1CCSC[C@@H]1c1ccccc1 ZINC000335904141 394810070 /nfs/dbraw/zinc/81/00/70/394810070.db2.gz VYPJSUGPOSSJQJ-DGCLKSJQSA-N 0 3 260.362 2.463 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCC(CC(=O)N3CCCC3)CC2)C1 ZINC000335903311 394810205 /nfs/dbraw/zinc/81/02/05/394810205.db2.gz OQNKOTZTZWQZDH-HZPDHXFCSA-N 0 3 289.423 2.403 20 30 CEEDHN C=CCc1cc(CN2CC[C@@H](O)C2(C)C)cc(OC)c1O ZINC000361064697 394813627 /nfs/dbraw/zinc/81/36/27/394813627.db2.gz GAGKCIWWNUHCOL-OAHLLOKOSA-N 0 3 291.391 2.475 20 30 CEEDHN CC[C@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000125531814 394844269 /nfs/dbraw/zinc/84/42/69/394844269.db2.gz KZMHXWVXWVJTGP-XJKSGUPXSA-N 0 3 283.375 2.395 20 30 CEEDHN COc1cccc(C2=CCN(C(=O)C(C)C#N)C2)c1 ZINC000336381953 394849243 /nfs/dbraw/zinc/84/92/43/394849243.db2.gz KITPYNGZEMUYGH-NSHDSACASA-N 0 3 256.305 2.080 20 30 CEEDHN C[C@@]1(F)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000336408797 394852642 /nfs/dbraw/zinc/85/26/42/394852642.db2.gz CZFKTAYZBMPPKF-GDBMZVCRSA-N 0 3 285.322 2.201 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC000336408000 394852653 /nfs/dbraw/zinc/85/26/53/394852653.db2.gz SVNXHUVMJZVRCX-CHWSQXEVSA-N 0 3 297.468 2.172 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@](C)(CCC)C1 ZINC000362433633 394861606 /nfs/dbraw/zinc/86/16/06/394861606.db2.gz GLTGEFXKGUMQKW-BBRMVZONSA-N 0 3 295.427 2.289 20 30 CEEDHN C=CCN(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338589668 394924452 /nfs/dbraw/zinc/92/44/52/394924452.db2.gz AXIUZNKNEIZGDX-UHFFFAOYSA-N 0 3 254.337 2.418 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(C)n(C)n1 ZINC000282801366 394924672 /nfs/dbraw/zinc/92/46/72/394924672.db2.gz QTWAXKBVZSXJAI-YDHLFZDLSA-N 0 3 263.385 2.360 20 30 CEEDHN N#CCCOCCN1CC=C(c2ccc(O)cc2)CC1 ZINC000338890316 394932361 /nfs/dbraw/zinc/93/23/61/394932361.db2.gz OXSZQBJDRIYOEN-UHFFFAOYSA-N 0 3 272.348 2.412 20 30 CEEDHN N#CCCOCCN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000339090521 394941787 /nfs/dbraw/zinc/94/17/87/394941787.db2.gz JQYIJTOGUBRCST-KRWDZBQOSA-N 0 3 286.375 2.438 20 30 CEEDHN CC[C@@H]1CN(CCCCC#N)C[C@@]2(CCCOC2)O1 ZINC000366566471 394949371 /nfs/dbraw/zinc/94/93/71/394949371.db2.gz AELVHWZKCQQCPP-HUUCEWRRSA-N 0 3 266.385 2.340 20 30 CEEDHN C#CCN(CCC(=O)N1CCCc2ccccc21)C1CC1 ZINC000284843286 394949549 /nfs/dbraw/zinc/94/95/49/394949549.db2.gz CFRYTWDROKFHFU-UHFFFAOYSA-N 0 3 282.387 2.454 20 30 CEEDHN C=CCCC(=O)N1CCCN(CC2CCC2)CC1 ZINC000339198022 394950993 /nfs/dbraw/zinc/95/09/93/394950993.db2.gz HPEIVFCYHFSXNE-UHFFFAOYSA-N 0 3 250.386 2.287 20 30 CEEDHN C=CCCOCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284925984 394951392 /nfs/dbraw/zinc/95/13/92/394951392.db2.gz DGODSCFNSCFPLC-NSHDSACASA-N 0 3 279.340 2.420 20 30 CEEDHN C=CCNC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285000309 394952748 /nfs/dbraw/zinc/95/27/48/394952748.db2.gz HXQGZUKXMSOGQS-SFHVURJKSA-N 0 3 299.418 2.480 20 30 CEEDHN COC(=O)[C@]1(c2ccccc2)CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339210599 394952901 /nfs/dbraw/zinc/95/29/01/394952901.db2.gz NAWIMTBXGALTBQ-UWWQBHOKSA-N 0 3 298.386 2.495 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)c1cc(C#N)ccc1Cl ZINC000286066706 395007746 /nfs/dbraw/zinc/00/77/46/395007746.db2.gz MFEZWINWBWAJQV-UHFFFAOYSA-N 0 3 291.782 2.378 20 30 CEEDHN CC#CCNC(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000367169580 394958560 /nfs/dbraw/zinc/95/85/60/394958560.db2.gz AWTDHAMKGOHKEM-TZMCWYRMSA-N 0 3 291.420 2.063 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CCC[C@H]2CN(C)CC[C@H]21)OCC ZINC000339512524 394962951 /nfs/dbraw/zinc/96/29/51/394962951.db2.gz BAIOKRXCJOVWFF-XHSDSOJGSA-N 0 3 294.439 2.300 20 30 CEEDHN CC#CCCN1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000155115737 395026131 /nfs/dbraw/zinc/02/61/31/395026131.db2.gz UGERTQFZRSNTKP-HNNXBMFYSA-N 0 3 276.424 2.370 20 30 CEEDHN C=CCC[C@@H](O)CN1CCOC[C@H]1CC1CCC1 ZINC000339768090 394970700 /nfs/dbraw/zinc/97/07/00/394970700.db2.gz OTJSCVUCSVKPRX-HUUCEWRRSA-N 0 3 253.386 2.205 20 30 CEEDHN C=CCCOCCNC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000339772098 394971170 /nfs/dbraw/zinc/97/11/70/394971170.db2.gz MPYHCXDGYRYXGR-HUUCEWRRSA-N 0 3 297.443 2.141 20 30 CEEDHN C=CCCOCCNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000339887733 394973302 /nfs/dbraw/zinc/97/33/02/394973302.db2.gz UEOMQBVYRKATOQ-OAHLLOKOSA-N 0 3 280.412 2.102 20 30 CEEDHN C=CCCOCCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000339909071 394974638 /nfs/dbraw/zinc/97/46/38/394974638.db2.gz JVZRDDZPXIQGPF-UHFFFAOYSA-N 0 3 297.443 2.095 20 30 CEEDHN CN1CC[C@H](NCCCC#N)[C@@H]1c1ccc(F)cc1 ZINC000368056216 394977504 /nfs/dbraw/zinc/97/75/04/394977504.db2.gz JZFBXIVOAXKEIS-GJZGRUSLSA-N 0 3 261.344 2.464 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)CN(C)C ZINC000288003128 395051099 /nfs/dbraw/zinc/05/10/99/395051099.db2.gz LKXIBQOMIDMGFP-AWEZNQCLSA-N 0 3 275.396 2.334 20 30 CEEDHN CC(C)OC[C@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425529684 395061782 /nfs/dbraw/zinc/06/17/82/395061782.db2.gz CMDNOWAXZPGTJY-CZUORRHYSA-N 0 3 276.380 2.337 20 30 CEEDHN C[C@@H]1CN(CCCSCC#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374015692 395070221 /nfs/dbraw/zinc/07/02/21/395070221.db2.gz XBMIKXASPOWUAS-RBSFLKMASA-N 0 3 298.452 2.292 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC000345606935 395071102 /nfs/dbraw/zinc/07/11/02/395071102.db2.gz TYVNTTOXJZCZMT-QWHCGFSZSA-N 0 3 250.386 2.189 20 30 CEEDHN C#C[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])C(C)C ZINC000289359405 395075751 /nfs/dbraw/zinc/07/57/51/395075751.db2.gz KDFFWRDJMXNXPO-GFCCVEGCSA-N 0 3 263.337 2.157 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000345765896 395076324 /nfs/dbraw/zinc/07/63/24/395076324.db2.gz PMZMCLAKJXDNKS-CYBMUJFWSA-N 0 3 295.342 2.436 20 30 CEEDHN C=CCOCCCN1CCOC[C@@H]1[C@H]1CCC[C@@H]1OC ZINC000345794217 395077535 /nfs/dbraw/zinc/07/75/35/395077535.db2.gz RCBAMBUJSHMGNW-OAGGEKHMSA-N 0 3 283.412 2.095 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000289645468 395082857 /nfs/dbraw/zinc/08/28/57/395082857.db2.gz FYLUHNANQSSWSZ-STQMWFEESA-N 0 3 263.337 2.045 20 30 CEEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000289716980 395084942 /nfs/dbraw/zinc/08/49/42/395084942.db2.gz JKAAVNVTJDIWIT-KOLCDFICSA-N 0 3 257.280 2.486 20 30 CEEDHN N#C[C@H]1CCC[C@H](NCc2ccnc(-n3ccnc3)c2)C1 ZINC000375876425 395102516 /nfs/dbraw/zinc/10/25/16/395102516.db2.gz QKYRBQZXQPCHMY-ZFWWWQNUSA-N 0 3 281.363 2.439 20 30 CEEDHN C#Cc1ccc(CN2CC[C@@H](C(=O)OC)[C@H](C)C2)cc1 ZINC000289819271 395088479 /nfs/dbraw/zinc/08/84/79/395088479.db2.gz TZLABDSVLGTMGO-CZUORRHYSA-N 0 3 271.360 2.299 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCCC(C)(C)CC1 ZINC000346268053 395092579 /nfs/dbraw/zinc/09/25/79/395092579.db2.gz CNHOQEBYIBRHPL-ZDUSSCGKSA-N 0 3 277.412 2.449 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](CC)Cc2ccccc2)CC1 ZINC000170815821 395092900 /nfs/dbraw/zinc/09/29/00/395092900.db2.gz RURIBNKLBBHVSO-GOSISDBHSA-N 0 3 298.430 2.469 20 30 CEEDHN C#Cc1ccccc1CC(=O)NCCN1CCC[C@@H](C)C1 ZINC000290075379 395094089 /nfs/dbraw/zinc/09/40/89/395094089.db2.gz YOGRLJCRWHECDX-OAHLLOKOSA-N 0 3 284.403 2.059 20 30 CEEDHN Cc1ccccc1[C@@H]1CN(C(=O)C(C)C#N)[C@H](C)CO1 ZINC000346301226 395094487 /nfs/dbraw/zinc/09/44/87/395094487.db2.gz PJWBHZSDGDSMRP-GUTXKFCHSA-N 0 3 272.348 2.443 20 30 CEEDHN COCC[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000346298368 395094684 /nfs/dbraw/zinc/09/46/84/395094684.db2.gz IVWZPSUOTKERCG-UKRRQHHQSA-N 0 3 274.364 2.300 20 30 CEEDHN CC[C@@]1(C)CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346315292 395094733 /nfs/dbraw/zinc/09/47/33/395094733.db2.gz YJKCASNDSZQSJF-ZFWWWQNUSA-N 0 3 277.412 2.449 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000346376087 395097193 /nfs/dbraw/zinc/09/71/93/395097193.db2.gz CPZAVKRVYKXUEP-JTNHKYCSSA-N 0 3 276.311 2.274 20 30 CEEDHN C[C@H](C#N)CN(C)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000343151102 395033419 /nfs/dbraw/zinc/03/34/19/395033419.db2.gz GFVXYSWWCQNRED-UKRRQHHQSA-N 0 3 277.412 2.402 20 30 CEEDHN C=CCCCCNC(=O)N1CCCN(CCCOC)CC1 ZINC000372140244 395035555 /nfs/dbraw/zinc/03/55/55/395035555.db2.gz LWYUBIGRIGMDMQ-UHFFFAOYSA-N 0 3 297.443 2.097 20 30 CEEDHN N#CCC(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000372328955 395039460 /nfs/dbraw/zinc/03/94/60/395039460.db2.gz DQAVRYOLMZHILQ-UHFFFAOYSA-N 0 3 289.354 2.068 20 30 CEEDHN C=C(CNC(=O)NC[C@@H]1CCCN1CC)c1ccccc1 ZINC000287467021 395042480 /nfs/dbraw/zinc/04/24/80/395042480.db2.gz NQGABQKXSQAGEN-INIZCTEOSA-N 0 3 287.407 2.483 20 30 CEEDHN C=C[C@](C)(O)CC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000290693773 395114665 /nfs/dbraw/zinc/11/46/65/395114665.db2.gz IZUOVRBPAJXUJL-XYPHTWIQSA-N 0 3 290.407 2.121 20 30 CEEDHN CC(C)(C#N)CCN[C@H](CO)c1cccc(F)c1 ZINC000346969747 395114705 /nfs/dbraw/zinc/11/47/05/395114705.db2.gz QGPBRSMJFGAWBK-CYBMUJFWSA-N 0 3 250.317 2.389 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1c(C#N)cccc1C#N ZINC000436411556 395115413 /nfs/dbraw/zinc/11/54/13/395115413.db2.gz QGNWHPSEKREWFW-IAQYHMDHSA-N 0 3 266.348 2.325 20 30 CEEDHN C[C@@H](CNCc1ccc(C#N)o1)CNC(=O)OC(C)(C)C ZINC000494420311 395112348 /nfs/dbraw/zinc/11/23/48/395112348.db2.gz ZYQOMKUPJIGCHM-NSHDSACASA-N 0 3 293.367 2.402 20 30 CEEDHN C=CCc1cc(CN2CCC[C@H]2CCO)cc(OC)c1O ZINC000428456188 395148227 /nfs/dbraw/zinc/14/82/27/395148227.db2.gz KKAJPCLFEWTHFJ-HNNXBMFYSA-N 0 3 291.391 2.476 20 30 CEEDHN C=CCC[C@H](CCC)NCc1nnnn1CC1CC1 ZINC000349352239 395165829 /nfs/dbraw/zinc/16/58/29/395165829.db2.gz HAPAVHARYAGPPR-ZDUSSCGKSA-N 0 3 263.389 2.308 20 30 CEEDHN C[C@@H]1CCN(Cc2cnc3c(C#N)cnn3c2)[C@H](C)C1 ZINC000515649621 395176552 /nfs/dbraw/zinc/17/65/52/395176552.db2.gz IDBQUNKHYJQPCU-VXGBXAGGSA-N 0 3 269.352 2.221 20 30 CEEDHN C#CCNC(=O)CCN1CCc2sccc2[C@H]1CC ZINC000293355161 395231332 /nfs/dbraw/zinc/23/13/32/395231332.db2.gz DVTFVKZNWMLHFO-CYBMUJFWSA-N 0 3 276.405 2.197 20 30 CEEDHN C=CCOCCN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000293382066 395232549 /nfs/dbraw/zinc/23/25/49/395232549.db2.gz GJVMQLFAUKSJAI-AWEZNQCLSA-N 0 3 286.379 2.463 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1scnc1C(C)(C)C ZINC000293853585 395253510 /nfs/dbraw/zinc/25/35/10/395253510.db2.gz AOOLCOREQNWBBK-UHFFFAOYSA-N 0 3 293.436 2.126 20 30 CEEDHN CCc1ccc(C#CC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000293483647 395236127 /nfs/dbraw/zinc/23/61/27/395236127.db2.gz NHIYEIMQXRNPBI-HNNXBMFYSA-N 0 3 296.414 2.367 20 30 CEEDHN N#CC1CCN(C[C@@H](O)CCc2ccccc2)CC1 ZINC000182291258 395238841 /nfs/dbraw/zinc/23/88/41/395238841.db2.gz MSLWNWNNFAJPML-INIZCTEOSA-N 0 3 258.365 2.216 20 30 CEEDHN Cc1cc(NCC2(N(C)C)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000419011718 395246958 /nfs/dbraw/zinc/24/69/58/395246958.db2.gz TTWXYRAUBHFZSA-UHFFFAOYSA-N 0 3 274.324 2.281 20 30 CEEDHN C=CCN1CCC(NC(=O)c2oc(CCC)nc2C)CC1 ZINC000292983974 395211775 /nfs/dbraw/zinc/21/17/75/395211775.db2.gz DJURMOBRHYILSJ-UHFFFAOYSA-N 0 3 291.395 2.316 20 30 CEEDHN CCc1ccc(C#CC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1 ZINC000293102686 395218137 /nfs/dbraw/zinc/21/81/37/395218137.db2.gz GDERAZVHILOBHU-CRAIPNDOSA-N 0 3 298.430 2.399 20 30 CEEDHN N#Cc1ccc(C(=O)NC2CC(N3CCCCC3)C2)s1 ZINC000527267840 395277891 /nfs/dbraw/zinc/27/78/91/395277891.db2.gz PPMLLDCZYVQCHK-UHFFFAOYSA-N 0 3 289.404 2.366 20 30 CEEDHN N#Cc1ccncc1NC[C@@H]1CCN1C1CCCC1 ZINC000528209275 395287221 /nfs/dbraw/zinc/28/72/21/395287221.db2.gz MLUARYLCKJGZCV-AWEZNQCLSA-N 0 3 256.353 2.382 20 30 CEEDHN Cc1nnc(NC[C@@H]2CCN2C2CCCC2)c(C#N)c1C ZINC000528210880 395287595 /nfs/dbraw/zinc/28/75/95/395287595.db2.gz QNPXVKCMNQBFNL-AWEZNQCLSA-N 0 3 285.395 2.394 20 30 CEEDHN C#CCOc1ccccc1CN1CCC[C@H](O)CC1 ZINC000293872840 395254835 /nfs/dbraw/zinc/25/48/35/395254835.db2.gz CQOKGTNLYUGXGY-HNNXBMFYSA-N 0 3 259.349 2.045 20 30 CEEDHN C=CCOCCN(Cc1ccccc1)C[C@H](O)CC ZINC000293888857 395256693 /nfs/dbraw/zinc/25/66/93/395256693.db2.gz UVWSCDGSZAUKMG-MRXNPFEDSA-N 0 3 263.381 2.462 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000352502695 395260322 /nfs/dbraw/zinc/26/03/22/395260322.db2.gz XQRWWHZTNHYDQC-BFYDXBDKSA-N 0 3 296.455 2.452 20 30 CEEDHN CN(CCN1CCOCC1)CCC1(C#N)CCCCC1 ZINC000411224512 395323412 /nfs/dbraw/zinc/32/34/12/395323412.db2.gz LCRNXRLINWNBRC-UHFFFAOYSA-N 0 3 279.428 2.115 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc2cc(C)ccc2o1 ZINC000294038261 395264576 /nfs/dbraw/zinc/26/45/76/395264576.db2.gz SDPPQDHRDNKHQO-UHFFFAOYSA-N 0 3 284.359 2.426 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nc(C#N)cs1 ZINC000352888446 395273865 /nfs/dbraw/zinc/27/38/65/395273865.db2.gz GZHBBZCTJMZTJX-ZWNOBZJWSA-N 0 3 263.366 2.086 20 30 CEEDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(CC#N)cc1 ZINC000352889293 395274687 /nfs/dbraw/zinc/27/46/87/395274687.db2.gz XYYIWKNNYGWIPI-CRAIPNDOSA-N 0 3 299.418 2.048 20 30 CEEDHN COC[C@](C)(CC(=O)OC)NCCC1(C#N)CCCCC1 ZINC000411384720 395329089 /nfs/dbraw/zinc/32/90/89/395329089.db2.gz FULXLROUZAEQBU-HNNXBMFYSA-N 0 3 296.411 2.408 20 30 CEEDHN Cc1noc(C2(C)CCN([C@@H](C)CCC#N)CC2)n1 ZINC000411509757 395330677 /nfs/dbraw/zinc/33/06/77/395330677.db2.gz VKUBGRWSNRSPGH-NSHDSACASA-N 0 3 262.357 2.424 20 30 CEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000411638517 395333713 /nfs/dbraw/zinc/33/37/13/395333713.db2.gz HLOPBQJKEJZLLU-INIZCTEOSA-N 0 3 297.487 2.460 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1ccn(C(C)C)n1 ZINC000411642524 395334025 /nfs/dbraw/zinc/33/40/25/395334025.db2.gz NJYGQJFXVWZTOD-UHFFFAOYSA-N 0 3 264.417 2.404 20 30 CEEDHN Cc1cc(F)ccc1C(=O)C(C#N)c1ccncn1 ZINC000354458590 395334132 /nfs/dbraw/zinc/33/41/32/395334132.db2.gz BXHPPTBOGDUZSY-LBPRGKRZSA-N 0 3 255.252 2.414 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1occc1C(=O)OC ZINC000411642479 395334188 /nfs/dbraw/zinc/33/41/88/395334188.db2.gz NGNSDJUSXIMOOU-UHFFFAOYSA-N 0 3 280.368 2.006 20 30 CEEDHN C=CCN(C)CCN(CC)C[C@H](O)Cc1ccc(F)cc1 ZINC000411645005 395334713 /nfs/dbraw/zinc/33/47/13/395334713.db2.gz KISJJTNMPFAVAB-QGZVFWFLSA-N 0 3 294.414 2.169 20 30 CEEDHN N#CC1(CNC2(CO)C3CC4CC(C3)CC2C4)CCC1 ZINC000412001450 395344816 /nfs/dbraw/zinc/34/48/16/395344816.db2.gz GWRKDKPAGDIWLT-UHFFFAOYSA-N 0 3 274.408 2.457 20 30 CEEDHN N#Cc1csc(CN[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000531356316 395458379 /nfs/dbraw/zinc/45/83/79/395458379.db2.gz MIPIBGXUNBWEDR-SNVBAGLBSA-N 0 3 289.326 2.346 20 30 CEEDHN C=CC[C@@H](Cc1ccccc1)NC[C@@H](C)S(C)(=O)=O ZINC000573084079 395599445 /nfs/dbraw/zinc/59/94/45/395599445.db2.gz KTIQPVAFMNFVQN-HIFRSBDPSA-N 0 3 281.421 2.197 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000573167248 395601761 /nfs/dbraw/zinc/60/17/61/395601761.db2.gz QKMJIAJCJNZLKO-PMPSAXMXSA-N 0 3 283.375 2.069 20 30 CEEDHN C=CCCCCCNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000573695748 395615854 /nfs/dbraw/zinc/61/58/54/395615854.db2.gz HLPCEMDQHZVQIZ-INIZCTEOSA-N 0 3 294.439 2.492 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(F)cc(OC)c1 ZINC000449516761 395552570 /nfs/dbraw/zinc/55/25/70/395552570.db2.gz BWWDGZUQKUQIQQ-KGLIPLIRSA-N 0 3 251.301 2.267 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449518734 395552761 /nfs/dbraw/zinc/55/27/61/395552761.db2.gz KRUOYOFHJLWNQZ-GLQYFDAESA-N 0 3 295.404 2.084 20 30 CEEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1cccc(C#N)c1 ZINC000449576515 395555520 /nfs/dbraw/zinc/55/55/20/395555520.db2.gz ALQLQFCUBHUCQV-CABCVRRESA-N 0 3 272.348 2.380 20 30 CEEDHN CO[C@@H]1C[C@H](N(C)Cc2cc(C#N)n(C)c2)C12CCC2 ZINC000449630119 395557918 /nfs/dbraw/zinc/55/79/18/395557918.db2.gz HAYUJOIRXWCBFP-LSDHHAIUSA-N 0 3 273.380 2.286 20 30 CEEDHN CCC[C@H](C)[C@H](CO)NCc1ccc(C#N)cc1OC ZINC000568752204 395569911 /nfs/dbraw/zinc/56/99/11/395569911.db2.gz CKBJYBKNWQAYPJ-WFASDCNBSA-N 0 3 276.380 2.454 20 30 CEEDHN C=CCN(CCOC)Cc1cc2ccccc2n(C)c1=O ZINC000570939155 395583925 /nfs/dbraw/zinc/58/39/25/395583925.db2.gz DGNXCBLFGKGDOP-UHFFFAOYSA-N 0 3 286.375 2.173 20 30 CEEDHN CC[C@H](C(=O)NCc1ccc(C#N)c(F)c1)N(CC)CC ZINC000456845356 395634172 /nfs/dbraw/zinc/63/41/72/395634172.db2.gz UGKQARHNDOLVGI-OAHLLOKOSA-N 0 3 291.370 2.434 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N(C)[C@@H]1CCN(C(C)C)C1)OCC ZINC000457089829 395634680 /nfs/dbraw/zinc/63/46/80/395634680.db2.gz LMXHRFVVHAKASJ-HUUCEWRRSA-N 0 3 282.428 2.299 20 30 CEEDHN N#CC1(CNC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000574954785 395641879 /nfs/dbraw/zinc/64/18/79/395641879.db2.gz YNQWYYKKSWPPDZ-UHFFFAOYSA-N 0 3 283.375 2.316 20 30 CEEDHN CC[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000459790259 395666781 /nfs/dbraw/zinc/66/67/81/395666781.db2.gz GODCSNNTQOTAFT-DFBGVHRSSA-N 0 3 287.363 2.042 20 30 CEEDHN CC(C)[C@@H]1CN(c2cccc(F)c2C#N)CCN1C ZINC000487069289 395667071 /nfs/dbraw/zinc/66/70/71/395667071.db2.gz KBSYKNYMPXHHOZ-HNNXBMFYSA-N 0 3 261.344 2.474 20 30 CEEDHN Cc1cc(CN(C)CCc2cnccn2)ccc1C#N ZINC000488139572 395668214 /nfs/dbraw/zinc/66/82/14/395668214.db2.gz AOWUDBZEFPRPNC-UHFFFAOYSA-N 0 3 266.348 2.331 20 30 CEEDHN C[C@@H]1C[C@H]1N1CCN(c2ncccc2C#N)C[C@@H](C)C1 ZINC000488719414 395668358 /nfs/dbraw/zinc/66/83/58/395668358.db2.gz YCLVYCXEXCBQNH-GZBFAFLISA-N 0 3 270.380 2.120 20 30 CEEDHN CC(C)Oc1ccc(NC(=O)/C=C\CN(C)C)cc1C#N ZINC000492234698 395670966 /nfs/dbraw/zinc/67/09/66/395670966.db2.gz WLOVOQBWNRLLDF-WAYWQWQTSA-N 0 3 287.363 2.402 20 30 CEEDHN C=C(C)[C@H](CO)N(C)Cc1ccc(OC)c(OC)c1 ZINC000649238069 396099212 /nfs/dbraw/zinc/09/92/12/396099212.db2.gz WNYREVUKOWULIP-ZDUSSCGKSA-N 0 3 265.353 2.073 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(Oc2ccc(OC)cc2)CC1 ZINC000649249345 396102689 /nfs/dbraw/zinc/10/26/89/396102689.db2.gz RXYUMSMIEMJVDT-QGZVFWFLSA-N 0 3 291.391 2.475 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CC2(C[C@@H]1C)CCOCC2 ZINC000646102328 396293924 /nfs/dbraw/zinc/29/39/24/396293924.db2.gz VSLSDGKDIKTDJK-HNNXBMFYSA-N 0 3 292.423 2.078 20 30 CEEDHN C=CC[C@H](CO)NCc1cnn(-c2ccccc2C)c1 ZINC000647201524 396439117 /nfs/dbraw/zinc/43/91/17/396439117.db2.gz QYIPEMRHYOJNMR-OAHLLOKOSA-N 0 3 271.364 2.207 20 30 CEEDHN COC[C@@H]1CCCCN1CCOc1ccc(C#N)cc1 ZINC000307778948 400340448 /nfs/dbraw/zinc/34/04/48/400340448.db2.gz XVFQXICPKWIKCX-HNNXBMFYSA-N 0 3 274.364 2.438 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000347313779 400371061 /nfs/dbraw/zinc/37/10/61/400371061.db2.gz OIELKLDDIYUQFK-NVXWUHKLSA-N 0 3 294.439 2.348 20 30 CEEDHN COCCN1CCN(CC#Cc2ccccc2)C(C)(C)C1 ZINC000649850809 400725077 /nfs/dbraw/zinc/72/50/77/400725077.db2.gz BOOSLCPDZVQCIV-UHFFFAOYSA-N 0 3 286.419 2.081 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC000651273418 401307320 /nfs/dbraw/zinc/30/73/20/401307320.db2.gz MNHOZLQBHCGBBX-IJEWVQPXSA-N 0 3 274.408 2.355 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCC(=O)NC1 ZINC000360654771 155347729 /nfs/dbraw/zinc/34/77/29/155347729.db2.gz ACIWLPXGHLWTIY-HOCLYGCPSA-N 0 3 283.375 2.194 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@@H](CO)C[C@H]1C ZINC000344188471 154277135 /nfs/dbraw/zinc/27/71/35/154277135.db2.gz WFFICUAMQIJMFW-TZMCWYRMSA-N 0 3 274.364 2.160 20 30 CEEDHN C[C@@H](Cn1cccn1)NCc1ccc(C#N)c(F)c1 ZINC000358316078 154575449 /nfs/dbraw/zinc/57/54/49/154575449.db2.gz ZFMQDWNNSQITFF-NSHDSACASA-N 0 3 258.300 2.072 20 30 CEEDHN Cn1cc(CN[C@@H](CCO)c2ccccc2)cc1C#N ZINC000359737013 155124137 /nfs/dbraw/zinc/12/41/37/155124137.db2.gz QQKWIMCIOYSKJR-INIZCTEOSA-N 0 3 269.348 2.110 20 30 CEEDHN COc1cc(CN2CC[C@H](c3nccn3C)C2)ccc1C#N ZINC000368135028 156294231 /nfs/dbraw/zinc/29/42/31/156294231.db2.gz OBSDKFJDSURALN-HNNXBMFYSA-N 0 3 296.374 2.290 20 30 CEEDHN N#Cc1ccc(OCCCN2CC[C@@H](n3cccn3)C2)cc1 ZINC000368283165 156315519 /nfs/dbraw/zinc/31/55/19/156315519.db2.gz VZGUAAGIGOROMK-MRXNPFEDSA-N 0 3 296.374 2.471 20 30 CEEDHN CN(CCCOc1cccc(C#N)c1)C[C@H]1CCCO1 ZINC000048947850 162288292 /nfs/dbraw/zinc/28/82/92/162288292.db2.gz ZQGRVKIHKPMLKJ-MRXNPFEDSA-N 0 3 274.364 2.438 20 30 CEEDHN N#Cc1csc(CN[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000177697497 165206263 /nfs/dbraw/zinc/20/62/63/165206263.db2.gz LFLGIFQHYJVNGQ-ZDUSSCGKSA-N 0 3 299.403 2.168 20 30 CEEDHN N#Cc1cccc(OCCN[C@@H](CO)c2ccccc2)c1 ZINC000182931060 165377982 /nfs/dbraw/zinc/37/79/82/165377982.db2.gz CDOBJHIGVXWKAJ-KRWDZBQOSA-N 0 3 282.343 2.260 20 30 CEEDHN N#Cc1ccc(Cl)c(C(=O)NCCN2CCCCC2)c1 ZINC000285018786 196179010 /nfs/dbraw/zinc/17/90/10/196179010.db2.gz CXVBYNFVQBGYDH-UHFFFAOYSA-N 0 3 291.782 2.427 20 30 CEEDHN CCc1ccc([C@H](O)CNCc2cc(C#N)n(C)c2)cc1 ZINC000285564599 196327766 /nfs/dbraw/zinc/32/77/66/196327766.db2.gz NGXGKJFVADZVQX-QGZVFWFLSA-N 0 3 283.375 2.282 20 30 CEEDHN C[C@H](Cn1cccn1)N[C@@H](C)c1cccc(C#N)c1 ZINC000037320035 173119695 /nfs/dbraw/zinc/11/96/95/173119695.db2.gz HTJLCCBHDDGHAT-OLZOCXBDSA-N 0 3 254.337 2.494 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1N(C)CC(=O)NC1(C#N)CCC1 ZINC000347226171 287287890 /nfs/dbraw/zinc/28/78/90/287287890.db2.gz MGHWBZRFHFUGPO-OLZOCXBDSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCCOCCNCc1c(C2CCC2)cnn1C ZINC000657418529 414924272 /nfs/dbraw/zinc/92/42/72/414924272.db2.gz ISWKZYZZROZZGT-UHFFFAOYSA-N 0 3 263.385 2.370 20 30 CEEDHN C=CC[C@H](CO)NCc1cncc(Br)c1C ZINC000657435531 414935871 /nfs/dbraw/zinc/93/58/71/414935871.db2.gz PTDNUXYAVZDZNY-LLVKDONJSA-N 0 3 285.185 2.179 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000660704861 414941255 /nfs/dbraw/zinc/94/12/55/414941255.db2.gz WAKUAJUZUVUZRZ-HRCADAONSA-N 0 3 289.423 2.363 20 30 CEEDHN C=CCCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000660572809 414881537 /nfs/dbraw/zinc/88/15/37/414881537.db2.gz VGDDNPPTBQYPJP-HNNXBMFYSA-N 0 3 275.396 2.473 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)NCCN(CC)C2CC2)C1 ZINC000660586659 414887628 /nfs/dbraw/zinc/88/76/28/414887628.db2.gz IGVHJRKTXJEWDJ-CQSZACIVSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654309406 414897387 /nfs/dbraw/zinc/89/73/87/414897387.db2.gz ZJFMFIAXWBNZCQ-QLFBSQMISA-N 0 3 280.412 2.101 20 30 CEEDHN C=CCCn1cc(CNC[C@@H]2CCO[C@H](C(C)C)C2)nn1 ZINC000657482158 414964187 /nfs/dbraw/zinc/96/41/87/414964187.db2.gz RQLWEDIGCZVBCN-ZBFHGGJFSA-N 0 3 292.427 2.395 20 30 CEEDHN C=CCN(C[C@H](O)COc1ccc(F)cc1)[C@@H](C)COC ZINC000661245304 415155497 /nfs/dbraw/zinc/15/54/97/415155497.db2.gz AUJYEFGOTPOOOW-ZFWWWQNUSA-N 0 3 297.370 2.088 20 30 CEEDHN C=CCCCCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000655247849 415159043 /nfs/dbraw/zinc/15/90/43/415159043.db2.gz VUXNXZHJOUTZLB-CQSZACIVSA-N 0 3 250.386 2.476 20 30 CEEDHN CCOC[C@H](NCC(=O)Nc1sccc1C#N)C(C)C ZINC000286314170 196563299 /nfs/dbraw/zinc/56/32/99/196563299.db2.gz WHORKPIOGXERPX-LBPRGKRZSA-N 0 3 295.408 2.209 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(CC(C)C)C1CC1 ZINC000045751475 175383274 /nfs/dbraw/zinc/38/32/74/175383274.db2.gz IUNIOHIZFSOZLQ-UHFFFAOYSA-N 0 3 250.386 2.307 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000661420115 415253552 /nfs/dbraw/zinc/25/35/52/415253552.db2.gz SEZDSDKXVGQEQX-FPCVCCKLSA-N 0 3 291.439 2.467 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)NC[C@@H]2CCCN2CC)C1 ZINC000664212866 415227385 /nfs/dbraw/zinc/22/73/85/415227385.db2.gz LEBYLRCSCIFYBW-GJZGRUSLSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CC[C@H](C)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659034956 415395752 /nfs/dbraw/zinc/39/57/52/415395752.db2.gz RZPJUYJEIVJJDY-SWLSCSKDSA-N 0 3 289.379 2.434 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](CCF)C1 ZINC000661695474 415405993 /nfs/dbraw/zinc/40/59/93/415405993.db2.gz QADRTHIBRDQUNI-CQSZACIVSA-N 0 3 268.376 2.259 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000664589206 415413266 /nfs/dbraw/zinc/41/32/66/415413266.db2.gz HWWWPCOPNYBYAY-KBPBESRZSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCC1(NCC(=O)Nc2c(C)nn(C)c2C)CCCC1 ZINC000661848267 415497392 /nfs/dbraw/zinc/49/73/92/415497392.db2.gz DCFUFTJDAXMHBU-UHFFFAOYSA-N 0 3 290.411 2.454 20 30 CEEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccnc(OC)c1 ZINC000655774590 415456946 /nfs/dbraw/zinc/45/69/46/415456946.db2.gz XWAJVUHEGKFYOT-YPMHNXCESA-N 0 3 250.342 2.068 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC([C@@H]3CCCCO3)CC2)C1=O ZINC000661865262 415507796 /nfs/dbraw/zinc/50/77/96/415507796.db2.gz FUISUHQCRYVVQM-CVEARBPZSA-N 0 3 292.423 2.054 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC([C@@H]2CCCCO2)CC1 ZINC000661864911 415508739 /nfs/dbraw/zinc/50/87/39/415508739.db2.gz QJOWIFBMGWQRAM-CABCVRRESA-N 0 3 253.386 2.205 20 30 CEEDHN C=C(CNC(=O)N[C@@H]1CCN(CCC)C1)c1ccccc1 ZINC000664899194 415515146 /nfs/dbraw/zinc/51/51/46/415515146.db2.gz CSFLEBKDGJSJRL-MRXNPFEDSA-N 0 3 287.407 2.483 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCC(C)CC1 ZINC000662082911 415614935 /nfs/dbraw/zinc/61/49/35/415614935.db2.gz YJIXEQKNRFJNDX-GASCZTMLSA-N 0 3 262.397 2.428 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H]1CCN(CC(F)(F)F)C1=O ZINC000662083557 415615927 /nfs/dbraw/zinc/61/59/27/415615927.db2.gz FXMXOMVODLEUAE-TUAOUCFPSA-N 0 3 288.313 2.333 20 30 CEEDHN C=CCN(C(=O)N[C@H]1CCN(C(C)(C)C)C1)[C@@H](C)COC ZINC000665552756 415777152 /nfs/dbraw/zinc/77/71/52/415777152.db2.gz IEOBHIQPIVOCAD-KBPBESRZSA-N 0 3 297.443 2.092 20 30 CEEDHN C=CCCN[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000656680790 415809627 /nfs/dbraw/zinc/80/96/27/415809627.db2.gz UYKCQPLKOLJPDK-LBPRGKRZSA-N 0 3 286.297 2.268 20 30 CEEDHN C[C@H]1[C@H](NC(=O)Nc2ccc(CC#N)cc2)CCCN1C ZINC000344878031 225190673 /nfs/dbraw/zinc/19/06/73/225190673.db2.gz HJOXQTSVDFUROA-SWLSCSKDSA-N 0 3 286.379 2.357 20 30 CEEDHN C[C@H]1CN(C(=O)NCC(C)(C)C#N)CCN(C2CCC2)C1 ZINC000334903052 225358413 /nfs/dbraw/zinc/35/84/13/225358413.db2.gz FSSOCKACXQIXHA-CYBMUJFWSA-N 0 3 292.427 2.052 20 30 CEEDHN Cc1cccc(C)c1OC[C@@H](C)NC(=O)C(C)C#N ZINC000347070546 226013660 /nfs/dbraw/zinc/01/36/60/226013660.db2.gz OEXISCJEBHEIPV-QWHCGFSZSA-N 0 3 260.337 2.347 20 30 CEEDHN CN(C)CCN(CC1CCCCC1)C(=O)CSCC#N ZINC000347253756 226101507 /nfs/dbraw/zinc/10/15/07/226101507.db2.gz QQYPXFPEMHRUCF-UHFFFAOYSA-N 0 3 297.468 2.214 20 30 CEEDHN CC(C#N)C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000347029261 226019243 /nfs/dbraw/zinc/01/92/43/226019243.db2.gz AKVGUBCNJLYUMG-SECBINFHSA-N 0 3 259.284 2.125 20 30 CEEDHN CC(C#N)C(=O)NCCOc1ccc(Br)cc1 ZINC000347032473 226021419 /nfs/dbraw/zinc/02/14/19/226021419.db2.gz GESIWXQGFANWIN-SECBINFHSA-N 0 3 297.152 2.104 20 30 CEEDHN CCn1c(C)cc(C(=O)C(C#N)c2ccncn2)c1C ZINC000354466021 227004028 /nfs/dbraw/zinc/00/40/28/227004028.db2.gz JTWDLNKWAJXGNS-ZDUSSCGKSA-N 0 3 268.320 2.405 20 30 CEEDHN CC(C#N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000352729518 227192403 /nfs/dbraw/zinc/19/24/03/227192403.db2.gz OAFZMNYTZNUMCY-NSHDSACASA-N 0 3 275.308 2.193 20 30 CEEDHN Cc1nnsc1CNC(=O)C1CCN(C2CC2)CC1 ZINC000329103928 227297762 /nfs/dbraw/zinc/29/77/62/227297762.db2.gz GHTRKVGXTDSXII-UHFFFAOYSA-N 0 3 280.397 2.177 20 30 CEEDHN CC(C#N)C(=O)N1CCn2c(cc3ccccc32)C1 ZINC000336180578 228207273 /nfs/dbraw/zinc/20/72/73/228207273.db2.gz PSKKERBTBKQOFC-NSHDSACASA-N 0 3 253.305 2.143 20 30 CEEDHN C=CCOCCCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000666521799 419707115 /nfs/dbraw/zinc/70/71/15/419707115.db2.gz RHYSLFZDOCBPLF-UHFFFAOYSA-N 0 3 297.443 2.095 20 30 CEEDHN C#CCN(CC)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000299326578 260183001 /nfs/dbraw/zinc/18/30/01/260183001.db2.gz GIQZTOLTQJHQOS-MRXNPFEDSA-N 0 3 287.407 2.262 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CC[C@@H]2CC[C@@H](C)O2)CC1 ZINC000173161145 261157648 /nfs/dbraw/zinc/15/76/48/261157648.db2.gz QGKIVPDDQLGSEZ-ZBFHGGJFSA-N 0 3 294.439 2.491 20 30 CEEDHN C#CCN([C@@H]1CCN(CC=C)C1=O)C1CCCCC1 ZINC000490637834 261176676 /nfs/dbraw/zinc/17/66/76/261176676.db2.gz TXHSSUMLTHNIMX-OAHLLOKOSA-N 0 3 260.381 2.041 20 30 CEEDHN C#CCN(C(=O)CCN(C)c1ccncc1)C1CCCC1 ZINC000490934886 261251921 /nfs/dbraw/zinc/25/19/21/261251921.db2.gz LGAGJDWFSIEZOW-UHFFFAOYSA-N 0 3 285.391 2.312 20 30 CEEDHN C#C[C@@H](C)N(C)CCC(=O)N1CCCc2ccccc21 ZINC000491073106 261318887 /nfs/dbraw/zinc/31/88/87/261318887.db2.gz XTMORVDMZYMJOB-CQSZACIVSA-N 0 3 270.376 2.309 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](CC)c1ccccc1OCC ZINC000491122011 261337482 /nfs/dbraw/zinc/33/74/82/261337482.db2.gz SWVSHNADQQQBST-HNNXBMFYSA-N 0 3 288.391 2.266 20 30 CEEDHN Cc1ccccc1[C@@H](C)NCCNC(=O)C1N=CC=CC1=O ZINC000180879864 261877485 /nfs/dbraw/zinc/87/74/85/261877485.db2.gz XABWZRJWMDWRCJ-VLUKHXRESA-N 0 3 299.374 2.172 20 30 CEEDHN N#CCC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000184312164 262016912 /nfs/dbraw/zinc/01/69/12/262016912.db2.gz NWVJHQCFEISQJX-UHFFFAOYSA-N 0 3 289.404 2.130 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(Cn3cncn3)cc2)C1 ZINC000185771486 262069725 /nfs/dbraw/zinc/06/97/25/262069725.db2.gz FGQZKZNNBWLRMX-DLBZAZTESA-N 0 3 295.390 2.498 20 30 CEEDHN C=CCN1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC000497240201 262120517 /nfs/dbraw/zinc/12/05/17/262120517.db2.gz OIESRFSABVCVNU-CHWSQXEVSA-N 0 3 266.385 2.361 20 30 CEEDHN C[C@H](O)CN(Cc1ccccc1C(C)(C)C#N)[C@@H](C)CO ZINC000190845673 262186078 /nfs/dbraw/zinc/18/60/78/262186078.db2.gz UIASNBPJAWBBFU-KBPBESRZSA-N 0 3 290.407 2.051 20 30 CEEDHN N#CCCCCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364323861 262202052 /nfs/dbraw/zinc/20/20/52/262202052.db2.gz KNLUCCMWGCCVEX-GFCCVEGCSA-N 0 3 277.328 2.122 20 30 CEEDHN C[C@@H](CNC(=O)C1(C#N)CCC1)N(C)Cc1ccccc1 ZINC000120806276 262234646 /nfs/dbraw/zinc/23/46/46/262234646.db2.gz APWMFBUEYKMWLB-AWEZNQCLSA-N 0 3 285.391 2.317 20 30 CEEDHN C#CCCN1CCC(c2nnc3cc(C)ccn32)CC1 ZINC000364604319 262255113 /nfs/dbraw/zinc/25/51/13/262255113.db2.gz IRTICPFIVWSSQL-UHFFFAOYSA-N 0 3 268.364 2.240 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)CN(C)C(C)C ZINC000111030575 262259369 /nfs/dbraw/zinc/25/93/69/262259369.db2.gz JNFAKZCOMISDJD-UHFFFAOYSA-N 0 3 276.380 2.208 20 30 CEEDHN CN(C)C/C=C/C(=O)Nc1ccc(Cl)cc1CC#N ZINC000493197364 262265665 /nfs/dbraw/zinc/26/56/65/262265665.db2.gz YFDPRKALRHIZMC-ONEGZZNKSA-N 0 3 277.755 2.462 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)c1cccc(F)c1C#N ZINC000188221088 262285901 /nfs/dbraw/zinc/28/59/01/262285901.db2.gz ZKCYDRINMDTTEO-LBPRGKRZSA-N 0 3 289.354 2.302 20 30 CEEDHN C=CCOc1ccc(CN2C[C@@H](CC)[C@H](O)C2)cc1 ZINC000355181922 262352692 /nfs/dbraw/zinc/35/26/92/262352692.db2.gz CVLCREMHEJKBDS-GDBMZVCRSA-N 0 3 261.365 2.454 20 30 CEEDHN CCCCCCCCCN1CCC(S(N)(=O)=O)CC1 ZINC000365276905 262357532 /nfs/dbraw/zinc/35/75/32/262357532.db2.gz SCOUHWDZCBIBRV-UHFFFAOYSA-N 0 3 290.473 2.490 20 30 CEEDHN C=CCOc1ccccc1C(=O)NCCN1CC[C@@H](C)C1 ZINC000525805100 262367724 /nfs/dbraw/zinc/36/77/24/262367724.db2.gz OMGFVIGSVDVCIP-CQSZACIVSA-N 0 3 288.391 2.323 20 30 CEEDHN C=CC[C@@H](C)NC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000365647616 262410844 /nfs/dbraw/zinc/41/08/44/262410844.db2.gz QGPBJXZEPQIXAO-CQSZACIVSA-N 0 3 290.411 2.063 20 30 CEEDHN C=CCCCN1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366428430 262655811 /nfs/dbraw/zinc/65/58/11/262655811.db2.gz HTKABUQTPDZTHP-CYBMUJFWSA-N 0 3 259.415 2.242 20 30 CEEDHN C=CCOc1ccc(CN2C[C@H](O)C[C@H](C)C2)cc1OC ZINC000414528761 262983060 /nfs/dbraw/zinc/98/30/60/262983060.db2.gz UOGPEGUJTWPRFM-DZGCQCFKSA-N 0 3 291.391 2.463 20 30 CEEDHN C[C@H]1CCC[C@@H](CO)N1Cc1ccc(OCC#N)cc1 ZINC000272679531 263007987 /nfs/dbraw/zinc/00/79/87/263007987.db2.gz RPECIAVEYMAGLY-ZFWWWQNUSA-N 0 3 274.364 2.324 20 30 CEEDHN COCCN1CC[C@H](Nc2ccccc2O[C@@H](C)C#N)C1 ZINC000273135635 263013105 /nfs/dbraw/zinc/01/31/05/263013105.db2.gz CSFICWJHZMURPR-KBPBESRZSA-N 0 3 289.379 2.110 20 30 CEEDHN CC(C)(C)C[C@H]1CCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000452069978 263034214 /nfs/dbraw/zinc/03/42/14/263034214.db2.gz FNNKKLBDOWRPNO-CYBMUJFWSA-N 0 3 277.412 2.307 20 30 CEEDHN CC(C)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279710941 263056800 /nfs/dbraw/zinc/05/68/00/263056800.db2.gz LBJQAHVTNXKFRY-AWEZNQCLSA-N 0 3 255.321 2.107 20 30 CEEDHN CO/N=C/C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000283077359 263080949 /nfs/dbraw/zinc/08/09/49/263080949.db2.gz QCEMRSFAPHDTEM-LFIBNONCSA-N 0 3 275.352 2.243 20 30 CEEDHN C#C[C@@H](C)NCc1ccc(OC)c(OCCCC#N)c1 ZINC000289344973 263109369 /nfs/dbraw/zinc/10/93/69/263109369.db2.gz IIRPTJJJEVRVGC-CYBMUJFWSA-N 0 3 272.348 2.489 20 30 CEEDHN CC(C)(C#N)CCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292120211 263128574 /nfs/dbraw/zinc/12/85/74/263128574.db2.gz HZRSAWSEAZARIO-AWEZNQCLSA-N 0 3 284.363 2.346 20 30 CEEDHN CCN(CCOCCC#N)C[C@@H]1COc2ccccc2O1 ZINC000293579653 263143459 /nfs/dbraw/zinc/14/34/59/263143459.db2.gz SZSOMUZBHMHYTO-CQSZACIVSA-N 0 3 290.363 2.079 20 30 CEEDHN C=CCN(CCC#N)C(=O)[C@@H](CC)N(CC)CC ZINC000293675972 263146658 /nfs/dbraw/zinc/14/66/58/263146658.db2.gz GUADQTZSDRZDRW-CYBMUJFWSA-N 0 3 251.374 2.035 20 30 CEEDHN C[C@@H]1C[C@H](O)CN1Cc1cccc(OCCCC#N)c1 ZINC000471802664 263266081 /nfs/dbraw/zinc/26/60/81/263266081.db2.gz BYCGTZUQVORJPQ-HIFRSBDPSA-N 0 3 274.364 2.324 20 30 CEEDHN CC#CCN(C)C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000341091164 263321574 /nfs/dbraw/zinc/32/15/74/263321574.db2.gz RZJWMDWLJTTZLG-HNNXBMFYSA-N 0 3 262.397 2.265 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCCCCC#N ZINC000341127790 263322944 /nfs/dbraw/zinc/32/29/44/263322944.db2.gz YOSFQWXDFRSZAE-ZIAGYGMSSA-N 0 3 280.416 2.242 20 30 CEEDHN C=CC[C@@H](CO)CNCc1c(C)nn(CCC)c1C ZINC000341326548 263331323 /nfs/dbraw/zinc/33/13/23/263331323.db2.gz XIWHISBQBMMUJD-CQSZACIVSA-N 0 3 265.401 2.184 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NC[C@H]1CCCN1CC ZINC000341502200 263340016 /nfs/dbraw/zinc/34/00/16/263340016.db2.gz VLJJNTHODLIWOF-CHWSQXEVSA-N 0 3 253.390 2.125 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N1CC[C@H](N2CCCC2)C1)OCC ZINC000366737987 263342484 /nfs/dbraw/zinc/34/24/84/263342484.db2.gz GTLGFWFODIEDHD-LSDHHAIUSA-N 0 3 280.412 2.054 20 30 CEEDHN C=C(CC)CN[C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000341793652 263349799 /nfs/dbraw/zinc/34/97/99/263349799.db2.gz XZXBRTXADONKQD-GFCCVEGCSA-N 0 3 282.409 2.212 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@]2(C1)CCCOC2 ZINC000341985948 263381065 /nfs/dbraw/zinc/38/10/65/263381065.db2.gz YCNCGQXWQMLAOR-WBVHZDCISA-N 0 3 292.423 2.078 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000342103552 263387738 /nfs/dbraw/zinc/38/77/38/263387738.db2.gz MWGPBTCPQODWTR-TZMCWYRMSA-N 0 3 285.457 2.078 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000342177579 263393631 /nfs/dbraw/zinc/39/36/31/263393631.db2.gz IZKQEQRWDGACQJ-CQSZACIVSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCC[C@@H](O)CNC1(c2ccc3c(c2)OCO3)CC1 ZINC000342190103 263396694 /nfs/dbraw/zinc/39/66/94/263396694.db2.gz HMULTHDCOPSCAM-CYBMUJFWSA-N 0 3 275.348 2.321 20 30 CEEDHN CCNC(=O)N1CC[C@H](N[C@@H](CC)c2ccc(F)cn2)C1 ZINC000330697316 264006061 /nfs/dbraw/zinc/00/60/61/264006061.db2.gz FKNKSAHOZRBOFR-STQMWFEESA-N 0 3 294.374 2.270 20 30 CEEDHN CCCn1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000330779241 264036066 /nfs/dbraw/zinc/03/60/66/264036066.db2.gz CETBWADUPTXTSS-WCQYABFASA-N 0 3 264.373 2.080 20 30 CEEDHN CN(CC(=O)NC(=O)NC(C)(C)C)C[C@H]1CC=CCC1 ZINC000330846219 264066338 /nfs/dbraw/zinc/06/63/38/264066338.db2.gz OCPQORSKUAUZNH-LBPRGKRZSA-N 0 3 281.400 2.103 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)C[C@@H]1CC=CCC1 ZINC000330851324 264068158 /nfs/dbraw/zinc/06/81/58/264068158.db2.gz QBMAEQJWFIYVKE-ZBFHGGJFSA-N 0 3 277.412 2.329 20 30 CEEDHN COc1ccc(OC)c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000330894509 264077671 /nfs/dbraw/zinc/07/76/71/264077671.db2.gz FKQZMBLBFXLUOI-VXGBXAGGSA-N 0 3 292.379 2.491 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)c1cnn(C)c1SC ZINC000331095289 264120739 /nfs/dbraw/zinc/12/07/39/264120739.db2.gz LDADETUXUHLXDZ-NSHDSACASA-N 0 3 296.440 2.321 20 30 CEEDHN CC[C@H](C)n1ncc(NC(=O)N(C)CCN(C)C)c1C ZINC000331113156 264127729 /nfs/dbraw/zinc/12/77/29/264127729.db2.gz JFKAQFDTJGRJMJ-NSHDSACASA-N 0 3 281.404 2.201 20 30 CEEDHN CC(=O)N[C@@H](C)C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000331146295 264138122 /nfs/dbraw/zinc/13/81/22/264138122.db2.gz VYHFSBKGQLKUJW-AWEZNQCLSA-N 0 3 299.418 2.489 20 30 CEEDHN COCCCN1CCC(NC(=O)N[C@@H]2CC[C@H](C)C2)CC1 ZINC000331217836 264164966 /nfs/dbraw/zinc/16/49/66/264164966.db2.gz GREHQFYBXJEKOZ-DZGCQCFKSA-N 0 3 297.443 2.180 20 30 CEEDHN CO[C@H]1CCCC[C@@H]1NC(=O)NCCN1CCC[C@H](C)C1 ZINC000331267711 264168199 /nfs/dbraw/zinc/16/81/99/264168199.db2.gz JUIPVMFNVHSWMJ-KKUMJFAQSA-N 0 3 297.443 2.180 20 30 CEEDHN C[C@]1(O)CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000331315106 264187874 /nfs/dbraw/zinc/18/78/74/264187874.db2.gz IWXGJVGNMGXXEW-WBVHZDCISA-N 0 3 286.375 2.132 20 30 CEEDHN N#C[C@@H]1CCC[C@@H]1NCCCO[C@@H]1CCCCO1 ZINC000331340193 264194795 /nfs/dbraw/zinc/19/47/95/264194795.db2.gz JZSBCZFNIGOGER-MELADBBJSA-N 0 3 252.358 2.202 20 30 CEEDHN O=C(NC[C@@H]1CCCCN1CCO)C1=CCCCC1 ZINC000331289760 264196932 /nfs/dbraw/zinc/19/69/32/264196932.db2.gz AYXVJXSBEDOWHC-AWEZNQCLSA-N 0 3 266.385 2.290 20 30 CEEDHN Cc1ccccc1C(=O)NC[C@H]1CCCCN1CCO ZINC000331301523 264199216 /nfs/dbraw/zinc/19/92/16/264199216.db2.gz DZURPXCXTNWLKU-CQSZACIVSA-N 0 3 276.380 2.146 20 30 CEEDHN CC1(C)CCCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000126981644 264245200 /nfs/dbraw/zinc/24/52/00/264245200.db2.gz NQWARRAQTNOSQN-UHFFFAOYSA-N 0 3 290.411 2.154 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@](C)(O)C2)cc1OC ZINC000180192833 264392841 /nfs/dbraw/zinc/39/28/41/264392841.db2.gz HJSMUGYYWKYBTC-MRXNPFEDSA-N 0 3 277.364 2.217 20 30 CEEDHN C#CCCOc1ccc(CNCC2([S@@](C)=O)CC2)cc1 ZINC000282361579 264500614 /nfs/dbraw/zinc/50/06/14/264500614.db2.gz NJMLSJBSOXIOKW-HXUWFJFHSA-N 0 3 291.416 2.089 20 30 CEEDHN C=CCOc1ccc(CNC(=O)[C@@H](CC)N(C)C)cc1 ZINC000286143349 264576873 /nfs/dbraw/zinc/57/68/73/264576873.db2.gz ZNFRWHKBOIXBLI-OAHLLOKOSA-N 0 3 276.380 2.208 20 30 CEEDHN C#CCN(CC)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000287919864 264650221 /nfs/dbraw/zinc/65/02/21/264650221.db2.gz FDGZCCAOXSUQBY-WBVHZDCISA-N 0 3 299.418 2.314 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](OC)C(C)(C)C1 ZINC000296040979 265034426 /nfs/dbraw/zinc/03/44/26/265034426.db2.gz OBZMGOLLUSQHPS-CABCVRRESA-N 0 3 294.439 2.322 20 30 CEEDHN CC(C)N(C)C(=O)C1CCN([C@H](C)CCC#N)CC1 ZINC000519161884 265348698 /nfs/dbraw/zinc/34/86/98/265348698.db2.gz RDIWGLDJWTVDOL-CYBMUJFWSA-N 0 3 265.401 2.257 20 30 CEEDHN CN(C)c1ncc(CN(C)CCCC(C)(C)C#N)cn1 ZINC000356225402 266076455 /nfs/dbraw/zinc/07/64/55/266076455.db2.gz QPQDZQIXXYJGCG-UHFFFAOYSA-N 0 3 275.400 2.304 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc3c(c2)N(C)CC3)CC1 ZINC000356274623 266085246 /nfs/dbraw/zinc/08/52/46/266085246.db2.gz XOJLMQQLNAVHED-UHFFFAOYSA-N 0 3 299.418 2.059 20 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/nfs/dbraw/zinc/57/67/53/328576753.db2.gz QHNVIAKMBKSNAY-MELADBBJSA-N 0 3 282.428 2.251 20 30 CEEDHN CC[C@@H](NC[C@@H](C)S(C)(=O)=O)c1ccc(C#N)cc1 ZINC000584093115 326946830 /nfs/dbraw/zinc/94/68/30/326946830.db2.gz DQYOYIQSFQGNBF-BXUZGUMPSA-N 0 3 280.393 2.032 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cccc(F)c1 ZINC000584095008 326947353 /nfs/dbraw/zinc/94/73/53/326947353.db2.gz XSDYUTSMLRBUGX-KGLIPLIRSA-N 0 3 278.327 2.087 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1[C@@H](C)CCC1(C)C ZINC000452007647 331050159 /nfs/dbraw/zinc/05/01/59/331050159.db2.gz RBOTUMYNRWPLHF-ZDUSSCGKSA-N 0 3 250.386 2.450 20 30 CEEDHN Cn1ncc2ccc(CN[C@@H]3CC[C@H](C#N)C3)cc21 ZINC000565864671 327037585 /nfs/dbraw/zinc/03/75/85/327037585.db2.gz TUOXLUVDZODOAQ-SMDDNHRTSA-N 0 3 254.337 2.355 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1c(C)cc(C)cc1C ZINC000293850842 327165048 /nfs/dbraw/zinc/16/50/48/327165048.db2.gz ALHVCMPOEOBKOO-UHFFFAOYSA-N 0 3 272.392 2.297 20 30 CEEDHN N#CCC[C@H](C#N)CNCCCc1ccc(O)cc1 ZINC000584287125 327218664 /nfs/dbraw/zinc/21/86/64/327218664.db2.gz URBOACIQUDXJTQ-CQSZACIVSA-N 0 3 257.337 2.358 20 30 CEEDHN C[C@H]1CCN(CCNC(=O)[C@@H](C#N)CCc2ccccc2)C1 ZINC000560177715 327288559 /nfs/dbraw/zinc/28/85/59/327288559.db2.gz SHEICIZQWNYHFG-DOTOQJQBSA-N 0 3 299.418 2.217 20 30 CEEDHN C=C(C)CN1CCC2(C[C@H]2C(=O)N(C)C2CC2)CC1 ZINC000378467621 329052000 /nfs/dbraw/zinc/05/20/00/329052000.db2.gz UXLBMKDRNDWMOB-AWEZNQCLSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCN1CCC(NC(=O)NC(CC)CC)CC1 ZINC000171695664 329078730 /nfs/dbraw/zinc/07/87/30/329078730.db2.gz HUZZFNJSHISPLY-UHFFFAOYSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)C(C2CC2)C2CC2)CC1 ZINC000171739909 329079915 /nfs/dbraw/zinc/07/99/15/329079915.db2.gz UKBUASYRFCOOEU-UHFFFAOYSA-N 0 3 291.439 2.467 20 30 CEEDHN CCN(C[C@@H]1CCCN1CC)C(=O)[C@@](C)(C#N)CC ZINC000582625008 329119299 /nfs/dbraw/zinc/11/92/99/329119299.db2.gz CKSKPMFEUKHLAU-DZGCQCFKSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000172947639 329140939 /nfs/dbraw/zinc/14/09/39/329140939.db2.gz DNZISLYJWHYYLL-MELADBBJSA-N 0 3 262.397 2.163 20 30 CEEDHN C=CCOCCCC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000173031954 329142408 /nfs/dbraw/zinc/14/24/08/329142408.db2.gz SCUJLSSDVPRVKN-MRXNPFEDSA-N 0 3 294.439 2.446 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000179786755 329212093 /nfs/dbraw/zinc/21/20/93/329212093.db2.gz KCCVOQXUOYWNAR-GOEBONIOSA-N 0 3 294.439 2.491 20 30 CEEDHN C=C(C)CN(C)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000181415490 329236625 /nfs/dbraw/zinc/23/66/25/329236625.db2.gz ZHXUUYQHPXEEGX-ZIAGYGMSSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CC[C@H](CO)NCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000184280421 329258782 /nfs/dbraw/zinc/25/87/82/329258782.db2.gz KEZLPQXJJWRPSI-SMDDNHRTSA-N 0 3 277.364 2.045 20 30 CEEDHN C=C(C)CS(=O)(=O)N(CCN(CC)CC)CC(C)C ZINC000184379342 329259180 /nfs/dbraw/zinc/25/91/80/329259180.db2.gz BTGMQDBYJCPRFW-UHFFFAOYSA-N 0 3 290.473 2.192 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)NC1CCN(CCCOC)CC1 ZINC000185422857 329273500 /nfs/dbraw/zinc/27/35/00/329273500.db2.gz GHTORUCVRPAEKR-CQSZACIVSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000186300412 329341210 /nfs/dbraw/zinc/34/12/10/329341210.db2.gz UBHZYZFVKYWSDB-GJZGRUSLSA-N 0 3 282.428 2.348 20 30 CEEDHN N#CCCCN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186932617 329350211 /nfs/dbraw/zinc/35/02/11/329350211.db2.gz ZBSJHCAQONNLCE-UHFFFAOYSA-N 0 3 276.355 2.499 20 30 CEEDHN CC#CCN(C)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418363565 329351623 /nfs/dbraw/zinc/35/16/23/329351623.db2.gz WCORTMHMQHODQO-MRXNPFEDSA-N 0 3 287.407 2.475 20 30 CEEDHN CC(C)NC(=O)CN(C)CCCCC(C)(C)C#N ZINC000232642416 329388354 /nfs/dbraw/zinc/38/83/54/329388354.db2.gz ULIAKUINGLSDKY-UHFFFAOYSA-N 0 3 253.390 2.163 20 30 CEEDHN C#CCCCC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000192296159 329430985 /nfs/dbraw/zinc/43/09/85/329430985.db2.gz LBRUXJFRIXGFLX-OAHLLOKOSA-N 0 3 270.376 2.309 20 30 CEEDHN C=CCC[N@@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000276044576 330111760 /nfs/dbraw/zinc/11/17/60/330111760.db2.gz GMNZIWXEXRWJKB-UHFFFAOYSA-N 0 3 251.326 2.417 20 30 CEEDHN C=CCC[N@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000276044576 330111761 /nfs/dbraw/zinc/11/17/61/330111761.db2.gz GMNZIWXEXRWJKB-UHFFFAOYSA-N 0 3 251.326 2.417 20 30 CEEDHN CC#CC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000278379520 330119475 /nfs/dbraw/zinc/11/94/75/330119475.db2.gz MZLYCRNDOSJZFK-UHFFFAOYSA-N 0 3 258.365 2.037 20 30 CEEDHN C=CCN1CCC(N[C@@H](C)c2cc(C(=O)OC)co2)CC1 ZINC000278367487 330119544 /nfs/dbraw/zinc/11/95/44/330119544.db2.gz BXKBMIJDAGHPIE-LBPRGKRZSA-N 0 3 292.379 2.367 20 30 CEEDHN C[C@@H](c1ccccc1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424064990 330219142 /nfs/dbraw/zinc/21/91/42/330219142.db2.gz KYKWKKOMRDXLAX-GXTWGEPZSA-N 0 3 259.353 2.227 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000424072964 330220348 /nfs/dbraw/zinc/22/03/48/330220348.db2.gz DOQIPPQRPAYRDQ-MHCOZEDOSA-N 0 3 275.396 2.093 20 30 CEEDHN CCCCN(CCCC)C(=O)[C@@H](N)CCCC#N ZINC000424076442 330220739 /nfs/dbraw/zinc/22/07/39/330220739.db2.gz LUTPUPMIPDAUIH-ZDUSSCGKSA-N 0 3 253.390 2.436 20 30 CEEDHN CC(C)Oc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424076975 330220987 /nfs/dbraw/zinc/22/09/87/330220987.db2.gz AMDSAGDRLISDKZ-AWEZNQCLSA-N 0 3 275.352 2.433 20 30 CEEDHN CCOc1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000424080676 330221857 /nfs/dbraw/zinc/22/18/57/330221857.db2.gz TVNUYRMPJNZQKA-LLVKDONJSA-N 0 3 261.325 2.045 20 30 CEEDHN CCCOc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424099897 330232960 /nfs/dbraw/zinc/23/29/60/330232960.db2.gz NCBGUHZIVOSVHA-AWEZNQCLSA-N 0 3 275.352 2.435 20 30 CEEDHN CC(C)(C)C[C@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424110550 330237631 /nfs/dbraw/zinc/23/76/31/330237631.db2.gz DHKJDUOCBMPFBM-OLZOCXBDSA-N 0 3 265.401 2.435 20 30 CEEDHN CC[C@@](C)(NC(=O)[C@H](N)CCCC#N)c1nc(C)cs1 ZINC000424139698 330277365 /nfs/dbraw/zinc/27/73/65/330277365.db2.gz FEZQADJJWRZBIU-BXUZGUMPSA-N 0 3 294.424 2.214 20 30 CEEDHN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424144470 330289852 /nfs/dbraw/zinc/28/98/52/330289852.db2.gz SKROKWVRGXLCTM-BYCMXARLSA-N 0 3 271.364 2.057 20 30 CEEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H](N)CCCC#N ZINC000424148252 330295121 /nfs/dbraw/zinc/29/51/21/330295121.db2.gz ZRIKNWSHLPGZQK-XJFOESAGSA-N 0 3 263.385 2.187 20 30 CEEDHN N#C[C@@H]1CC[C@H](NC[C@@H](n2cccn2)C(F)(F)F)C1 ZINC000527935444 330297878 /nfs/dbraw/zinc/29/78/78/330297878.db2.gz VPCBPPYOMJOTIQ-OUAUKWLOSA-N 0 3 272.274 2.268 20 30 CEEDHN CCO[C@@H](CCNC(=O)[C@@H](N)CCCC#N)C1CCCC1 ZINC000424153199 330299832 /nfs/dbraw/zinc/29/98/32/330299832.db2.gz MPZSSTRIWOJHDT-GJZGRUSLSA-N 0 3 295.427 2.109 20 30 CEEDHN CCn1c2ccc(C)cc2nc1NC(=O)[C@@H](N)CCCC#N ZINC000424163499 330308062 /nfs/dbraw/zinc/30/80/62/330308062.db2.gz ADLCNYAPAYSNST-LBPRGKRZSA-N 0 3 299.378 2.324 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCN(C2CC2)c2ccccc21 ZINC000424169577 330312139 /nfs/dbraw/zinc/31/21/39/330312139.db2.gz HDLQCALUVIGNHE-AWEZNQCLSA-N 0 3 298.390 2.023 20 30 CEEDHN CC1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528345448 330321134 /nfs/dbraw/zinc/32/11/34/330321134.db2.gz QQVOQOSKVNAFRS-UHFFFAOYSA-N 0 3 296.370 2.018 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(F)cn1 ZINC000424295213 330335922 /nfs/dbraw/zinc/33/59/22/330335922.db2.gz MKWGEFFDFLNRNB-SUNKGSAMSA-N 0 3 250.317 2.462 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)Nc1cc(C)cc(CN)c1 ZINC000424422160 330351568 /nfs/dbraw/zinc/35/15/68/330351568.db2.gz DMGGZYNOKPMXCW-LBPRGKRZSA-N 0 3 260.341 2.268 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000424586874 330390798 /nfs/dbraw/zinc/39/07/98/330390798.db2.gz GAHDYSKKZJQJCJ-CYBMUJFWSA-N 0 3 252.402 2.437 20 30 CEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425842335 330496796 /nfs/dbraw/zinc/49/67/96/330496796.db2.gz JDXCNVHMCIWDBF-KCQAQPDRSA-N 0 3 292.427 2.050 20 30 CEEDHN COC(=O)COc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442852167 330786959 /nfs/dbraw/zinc/78/69/59/330786959.db2.gz FTHIUIRAVNJZIB-GXTWGEPZSA-N 0 3 288.347 2.020 20 30 CEEDHN COc1cc(OC)cc(OCCN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442853055 330787195 /nfs/dbraw/zinc/78/71/95/330787195.db2.gz TVSZCABWUCZOBW-QWHCGFSZSA-N 0 3 290.363 2.364 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(OC)c(OC)cc1C ZINC000449517098 330933063 /nfs/dbraw/zinc/93/30/63/330933063.db2.gz DRCCSFKBWBMWMD-KGLIPLIRSA-N 0 3 277.364 2.445 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc2cccc(C)n12 ZINC000449548416 330935657 /nfs/dbraw/zinc/93/56/57/330935657.db2.gz NERJASWSJBHXEI-CABCVRRESA-N 0 3 271.364 2.466 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cnc2cccc(C)n12 ZINC000449695756 330944267 /nfs/dbraw/zinc/94/42/67/330944267.db2.gz GGGWBLOHUOLVEZ-ZDUSSCGKSA-N 0 3 259.353 2.059 20 30 CEEDHN C=CCC1(C(=O)NC[C@@H](O)CN2CCCCC2)CCCC1 ZINC000450235224 330967847 /nfs/dbraw/zinc/96/78/47/330967847.db2.gz WSTZDXPPWWJVMZ-OAHLLOKOSA-N 0 3 294.439 2.086 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(CCCC)CCCC ZINC000451599175 331035724 /nfs/dbraw/zinc/03/57/24/331035724.db2.gz NOQKSSCDUAKKBI-CABCVRRESA-N 0 3 282.428 2.348 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC[S@](=O)c1ccccc1 ZINC000451676190 331038669 /nfs/dbraw/zinc/03/86/69/331038669.db2.gz SBAKBYNIXGOMIX-VCBZYWHSSA-N 0 3 279.405 2.117 20 30 CEEDHN Cc1ccc(CN(C)CCC(=O)N(C)CCC#N)cc1C ZINC000452040367 331051486 /nfs/dbraw/zinc/05/14/86/331051486.db2.gz GVDPQQKOERNPGC-UHFFFAOYSA-N 0 3 287.407 2.497 20 30 CEEDHN CC#CCCCC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452172903 331057080 /nfs/dbraw/zinc/05/70/80/331057080.db2.gz LLZDEZORAMJBJL-AWEZNQCLSA-N 0 3 262.397 2.123 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2CCCN(CCCO)C2)CCCC1 ZINC000452374923 331063487 /nfs/dbraw/zinc/06/34/87/331063487.db2.gz LNULYLUQSFMXEZ-HNNXBMFYSA-N 0 3 294.439 2.086 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](F)C1 ZINC000452798659 331078202 /nfs/dbraw/zinc/07/82/02/331078202.db2.gz QZCYMVUKCSXVSB-UONOGXRCSA-N 0 3 260.312 2.329 20 30 CEEDHN CC1CCN(CCNC(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000454310136 331143926 /nfs/dbraw/zinc/14/39/26/331143926.db2.gz FXKWPSSPASNIEJ-GJZGRUSLSA-N 0 3 292.427 2.100 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cccc(CN(C)C)c1 ZINC000454323736 331144076 /nfs/dbraw/zinc/14/40/76/331144076.db2.gz OLNXQBIDMTULRJ-CABCVRRESA-N 0 3 289.379 2.213 20 30 CEEDHN CC#CCNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000454729095 331152518 /nfs/dbraw/zinc/15/25/18/331152518.db2.gz GGAAKMYSKNSYSK-MRXNPFEDSA-N 0 3 299.418 2.173 20 30 CEEDHN C=C(CC)CNC(=O)N(C)C[C@H]1CCCN1CC ZINC000455515900 331171365 /nfs/dbraw/zinc/17/13/65/331171365.db2.gz BYZQYORMGGLPSR-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCN1CCC(NC(=O)C2=CC[C@H](C)CC2)CC1 ZINC000455493584 331171010 /nfs/dbraw/zinc/17/10/10/331171010.db2.gz YOFUADCZFWTSGC-ZDUSSCGKSA-N 0 3 262.397 2.499 20 30 CEEDHN C[C@H]1[C@H](NC(=O)Nc2cccc(CC#N)c2)CCCN1C ZINC000455904011 331180247 /nfs/dbraw/zinc/18/02/47/331180247.db2.gz JEPHAVPUHKMPSY-SWLSCSKDSA-N 0 3 286.379 2.357 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)Nc2cccc(CC#N)c2)C1 ZINC000455913194 331180781 /nfs/dbraw/zinc/18/07/81/331180781.db2.gz YRQZNNYZPUGGJS-OAHLLOKOSA-N 0 3 286.379 2.358 20 30 CEEDHN CC[C@H](NC(=O)C(C#N)CCc1ccccc1)[C@H](C)O ZINC000456275301 331188705 /nfs/dbraw/zinc/18/87/05/331188705.db2.gz XIMIAVYRQHRYOE-QEJZJMRPSA-N 0 3 274.364 2.035 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCCC1(CO)CC1 ZINC000456412583 331192271 /nfs/dbraw/zinc/19/22/71/331192271.db2.gz ZKHCUHHWULOCAU-HNNXBMFYSA-N 0 3 286.375 2.038 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000457335378 331219384 /nfs/dbraw/zinc/21/93/84/331219384.db2.gz ZIBHAGGBKWSIMP-OAGGEKHMSA-N 0 3 286.375 2.036 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NCCN1CCC[C@H](C)C1 ZINC000457458107 331223689 /nfs/dbraw/zinc/22/36/89/331223689.db2.gz PALXNVGCFHHNST-ARFHVFGLSA-N 0 3 294.439 2.206 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)N(C)CC(C)(C)C#N ZINC000457709275 331231978 /nfs/dbraw/zinc/23/19/78/331231978.db2.gz MKYWMFYAVOPSCS-CYBMUJFWSA-N 0 3 280.416 2.052 20 30 CEEDHN CCO[C@H]1C[C@@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000457866322 331236700 /nfs/dbraw/zinc/23/67/00/331236700.db2.gz AKXQWWSJLOGTGM-OAGGEKHMSA-N 0 3 286.375 2.443 20 30 CEEDHN Cc1cc(NC(=O)C(C)(C)C#N)ccc1OCCN(C)C ZINC000458195209 331244816 /nfs/dbraw/zinc/24/48/16/331244816.db2.gz LMWDQNGZMMLZHE-UHFFFAOYSA-N 0 3 289.379 2.424 20 30 CEEDHN C=CCCCC[C@@H](C)N[C@@H](CO)c1ccnn1C ZINC000459696537 331294887 /nfs/dbraw/zinc/29/48/87/331294887.db2.gz BHUQKRYATFKZEL-OLZOCXBDSA-N 0 3 251.374 2.178 20 30 CEEDHN COCCN(C)c1ccc(CNCC(C)(C)CC#N)cn1 ZINC000459726765 331296050 /nfs/dbraw/zinc/29/60/50/331296050.db2.gz FNLFWSLLQGOYST-UHFFFAOYSA-N 0 3 290.411 2.194 20 30 CEEDHN CC(C)(CC#N)CNCc1cnn(CC(F)F)c1 ZINC000459728851 331296284 /nfs/dbraw/zinc/29/62/84/331296284.db2.gz JGOLZSFEFFAKCG-UHFFFAOYSA-N 0 3 256.300 2.178 20 30 CEEDHN Cc1cc(C)n2c(CNCC(C)(C)CC#N)cnc2n1 ZINC000459735463 331296837 /nfs/dbraw/zinc/29/68/37/331296837.db2.gz SXSKWVOVTPGMQU-UHFFFAOYSA-N 0 3 271.368 2.376 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1C[C@@H](OC)C12CCC2 ZINC000459748065 331298024 /nfs/dbraw/zinc/29/80/24/331298024.db2.gz GGYJXUVIMQTGGI-RRFJBIMHSA-N 0 3 294.439 2.347 20 30 CEEDHN C=CCCCCCN1CCC(O)(C(=O)OCC)CC1 ZINC000488185897 331993072 /nfs/dbraw/zinc/99/30/72/331993072.db2.gz RCMFZCJYTQJEQX-UHFFFAOYSA-N 0 3 269.385 2.123 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000489051097 332039489 /nfs/dbraw/zinc/03/94/89/332039489.db2.gz XELUDOVOSKBJLA-CHWSQXEVSA-N 0 3 273.380 2.029 20 30 CEEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COCc1ccco1 ZINC000489444771 332053330 /nfs/dbraw/zinc/05/33/30/332053330.db2.gz DHVYUMVWYZWJCZ-ZIAGYGMSSA-N 0 3 265.353 2.198 20 30 CEEDHN C=CCCCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000490355681 332087371 /nfs/dbraw/zinc/08/73/71/332087371.db2.gz VZFWFUMKZMIECO-RBSFLKMASA-N 0 3 279.428 2.324 20 30 CEEDHN C#C[C@H](NC(=O)[C@H]1CCCCN1C(C)C)C(C)C ZINC000490635968 332098495 /nfs/dbraw/zinc/09/84/95/332098495.db2.gz KIWMHGFPEHMTMQ-UONOGXRCSA-N 0 3 250.386 2.023 20 30 CEEDHN C#CCN(CC#CC)C(=O)c1cccc(CN2CCCC2)c1 ZINC000490697264 332105579 /nfs/dbraw/zinc/10/55/79/332105579.db2.gz KABFZVDGECLZBB-UHFFFAOYSA-N 0 3 294.398 2.381 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccncc2CC)CC1 ZINC000490923451 332129614 /nfs/dbraw/zinc/12/96/14/332129614.db2.gz KNSKCOCSALOJOD-AWEZNQCLSA-N 0 3 299.418 2.166 20 30 CEEDHN C#C[C@H](NC(=O)C(=C)CN(C)C)c1ccc(Cl)cc1 ZINC000491393456 332203306 /nfs/dbraw/zinc/20/33/06/332203306.db2.gz HSIUUJNMKYULHS-AWEZNQCLSA-N 0 3 276.767 2.248 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(CC)c(CC)o1 ZINC000491495598 332222641 /nfs/dbraw/zinc/22/26/41/332222641.db2.gz JWYHELUVJWTUFD-UHFFFAOYSA-N 0 3 276.380 2.089 20 30 CEEDHN C#C[C@@H](CC)NCc1ccc(OCC(=O)OCC)cc1 ZINC000491631115 332253806 /nfs/dbraw/zinc/25/38/06/332253806.db2.gz PZECLYJPQBGMJG-AWEZNQCLSA-N 0 3 275.348 2.130 20 30 CEEDHN C#C[C@H](NCc1cccc(OCCOC)c1)C(C)C ZINC000491661827 332271580 /nfs/dbraw/zinc/27/15/80/332271580.db2.gz QBAARFKQQOJGGJ-INIZCTEOSA-N 0 3 261.365 2.459 20 30 CEEDHN C#C[C@H](C)N(C)CCCOc1ccc2c(c1)OCO2 ZINC000491663104 332272323 /nfs/dbraw/zinc/27/23/23/332272323.db2.gz OWSYDXVDJVXGNL-LBPRGKRZSA-N 0 3 261.321 2.138 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CCC[C@@H](c2ccccc2)C1 ZINC000491677621 332282365 /nfs/dbraw/zinc/28/23/65/332282365.db2.gz QYODIRWUCRXWKW-GOEBONIOSA-N 0 3 270.376 2.004 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000491697883 332293080 /nfs/dbraw/zinc/29/30/80/332293080.db2.gz ASZJKEKHUASBDO-OAHLLOKOSA-N 0 3 284.403 2.379 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H]1CC(C)C ZINC000491730237 332312227 /nfs/dbraw/zinc/31/22/27/332312227.db2.gz OWGJINXOHVXUSV-HNNXBMFYSA-N 0 3 279.428 2.162 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C\c1ccc2[nH]ccc2c1 ZINC000491750169 332326799 /nfs/dbraw/zinc/32/67/99/332326799.db2.gz VWTUBXDDFSCZBC-VURMDHGXSA-N 0 3 295.386 2.252 20 30 CEEDHN C#CCN(C[C@H](O)CCOCC)[C@H]1CCc2ccccc21 ZINC000491816846 332367420 /nfs/dbraw/zinc/36/74/20/332367420.db2.gz HYISULYCKMNBBN-AEFFLSMTSA-N 0 3 287.403 2.397 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C/c2cncc(C)c2)CC1 ZINC000492233698 332388520 /nfs/dbraw/zinc/38/85/20/332388520.db2.gz RTRJFYOGEWCLNE-AATRIKPKSA-N 0 3 297.402 2.007 20 30 CEEDHN C=CCOCCCC(=O)Nc1cccc2c1CCNC2 ZINC000575740603 335110691 /nfs/dbraw/zinc/11/06/91/335110691.db2.gz AFPRKKMEXRJZNP-UHFFFAOYSA-N 0 3 274.364 2.254 20 30 CEEDHN C[C@H](CNC(=O)C1(C#N)CCCC1)N1CCC[C@@H](C)C1 ZINC000249732855 334339665 /nfs/dbraw/zinc/33/96/65/334339665.db2.gz BRMSQNHPUOYBMJ-ZIAGYGMSSA-N 0 3 277.412 2.307 20 30 CEEDHN C=CC1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000177505748 333059864 /nfs/dbraw/zinc/05/98/64/333059864.db2.gz VDONODOLOCOSIH-UHFFFAOYSA-N 0 3 254.374 2.409 20 30 CEEDHN CC(C)(C)OC(=O)[C@@H]1CCN(CCCCC#N)C1 ZINC000178520069 333074644 /nfs/dbraw/zinc/07/46/44/333074644.db2.gz IPOSXWIURSDVNY-GFCCVEGCSA-N 0 3 252.358 2.344 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2SCC)CC1 ZINC000178103565 333067751 /nfs/dbraw/zinc/06/77/51/333067751.db2.gz KXTSYPACMKPGSW-GJZGRUSLSA-N 0 3 294.464 2.122 20 30 CEEDHN CC1(C)[C@@H](O)C[C@@H]1NCC#Cc1ccccc1Cl ZINC000521267021 333116706 /nfs/dbraw/zinc/11/67/06/333116706.db2.gz KCIHYFVNXRIJOT-KBPBESRZSA-N 0 3 263.768 2.441 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccc(Br)s1 ZINC000227770209 333288302 /nfs/dbraw/zinc/28/83/02/333288302.db2.gz KFFRLEFZSJSVEZ-ZETCQYMHSA-N 0 3 287.182 2.329 20 30 CEEDHN C=CCC(CC=C)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000128462613 333673998 /nfs/dbraw/zinc/67/39/98/333673998.db2.gz QMQFXOUHXDEKRB-UHFFFAOYSA-N 0 3 276.384 2.152 20 30 CEEDHN N#CC(C(=O)c1cccc([C@@H]2CCOC2)c1)c1ccncn1 ZINC000546859795 334051957 /nfs/dbraw/zinc/05/19/57/334051957.db2.gz UWLJHNIVYHWVCK-HUUCEWRRSA-N 0 3 293.326 2.471 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC2CC(C)(C)C2)CC1 ZINC000548031129 334135904 /nfs/dbraw/zinc/13/59/04/334135904.db2.gz LUJAOSQDFPGUPD-UHFFFAOYSA-N 0 3 279.428 2.372 20 30 CEEDHN CC[C@@H](C)CN(CC)[C@H](C)C(=O)N(C)CCC#N ZINC000245750072 334217206 /nfs/dbraw/zinc/21/72/06/334217206.db2.gz GNJBCGRPSJMQIM-CHWSQXEVSA-N 0 3 253.390 2.115 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]2CCC[C@H]21 ZINC000247504587 334282989 /nfs/dbraw/zinc/28/29/89/334282989.db2.gz LZOTZXRBFBAKAI-FMKPAKJESA-N 0 3 277.412 2.305 20 30 CEEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)nn1 ZINC000566095061 334621784 /nfs/dbraw/zinc/62/17/84/334621784.db2.gz BNPRNRUIZQLGJA-RBSFLKMASA-N 0 3 290.411 2.149 20 30 CEEDHN CCC(CC)Nc1ccncc1NC(=O)[C@H](C)C#N ZINC000567247908 334697571 /nfs/dbraw/zinc/69/75/71/334697571.db2.gz VJABGEQJYWXNKE-SNVBAGLBSA-N 0 3 260.341 2.202 20 30 CEEDHN CC[C@@H](CC#N)NCCCOc1ccc2c(c1)OCO2 ZINC000568778968 334840560 /nfs/dbraw/zinc/84/05/60/334840560.db2.gz JRTSQRJKSQNDMZ-LBPRGKRZSA-N 0 3 276.336 2.466 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H]1CCCC[C@H]1C ZINC000569308719 334866257 /nfs/dbraw/zinc/86/62/57/334866257.db2.gz ZZWVWAZROBOLPB-BARDWOONSA-N 0 3 280.412 2.005 20 30 CEEDHN C[C@@H](C#N)CN(C(=O)Nc1cccc2c1CCNC2)C1CC1 ZINC000577839961 335409371 /nfs/dbraw/zinc/40/93/71/335409371.db2.gz TXWPYHFGGIXYTQ-LBPRGKRZSA-N 0 3 298.390 2.488 20 30 CEEDHN C=C(C)CCNC(=O)Nc1cccc2c1CCNC2 ZINC000579569117 335806024 /nfs/dbraw/zinc/80/60/24/335806024.db2.gz KUFRGSMHJBFEHK-UHFFFAOYSA-N 0 3 259.353 2.420 20 30 CEEDHN C=CCSCCNC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000194628260 336034607 /nfs/dbraw/zinc/03/46/07/336034607.db2.gz QQHOGHXGLVBNPY-KGLIPLIRSA-N 0 3 299.484 2.325 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)C(C#N)CCc2ccccc2)CO1 ZINC000581609975 336112000 /nfs/dbraw/zinc/11/20/00/336112000.db2.gz VWOIRDRTLNLMKE-VHDGCEQUSA-N 0 3 272.348 2.053 20 30 CEEDHN C#C[C@@H](NCc1cnn(CC(F)(F)F)c1)C(C)C ZINC000385050183 336136519 /nfs/dbraw/zinc/13/65/19/336136519.db2.gz NLIPDOJKKULNIY-LLVKDONJSA-N 0 3 259.275 2.193 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)Cn2cc3ccccc3n2)CCN1C ZINC000330038206 533761993 /nfs/dbraw/zinc/76/19/93/533761993.db2.gz DUGVKSQIQQENHC-TZMCWYRMSA-N 0 3 286.379 2.476 20 30 CEEDHN Cc1c([C@@H]2OCC[C@H]2NCCC(C)(C)C#N)cnn1C ZINC000347217651 533950863 /nfs/dbraw/zinc/95/08/63/533950863.db2.gz AJKOJMGVOMVXNG-KGLIPLIRSA-N 0 3 276.384 2.088 20 30 CEEDHN COc1ccccc1C[C@H]1CCCN1C(=O)C(C)C#N ZINC000347036470 534124079 /nfs/dbraw/zinc/12/40/79/534124079.db2.gz MBYRCQKUKVNDHL-TZMCWYRMSA-N 0 3 272.348 2.388 20 30 CEEDHN N#Cc1csc(CNc2nc3ccc(F)cc3[nH]2)n1 ZINC000357719307 534829194 /nfs/dbraw/zinc/82/91/94/534829194.db2.gz YYUKMRAGDUTDJS-UHFFFAOYSA-N 0 3 273.296 2.064 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](COCC)C(C)C ZINC000348438887 526542935 /nfs/dbraw/zinc/54/29/35/526542935.db2.gz GXVAHNGOCHPEEQ-GJZGRUSLSA-N 0 3 284.444 2.450 20 30 CEEDHN C=CCCC1(C(=O)NC[C@@H]2CCCN2CC)CC1 ZINC000353812684 527089034 /nfs/dbraw/zinc/08/90/34/527089034.db2.gz FWFPXYIGMYVCBV-ZDUSSCGKSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCCCCNC(=O)N(C)CC1CCN(C)CC1 ZINC000351690775 527148011 /nfs/dbraw/zinc/14/80/11/527148011.db2.gz GKMVPNWIPUQKHI-UHFFFAOYSA-N 0 3 267.417 2.326 20 30 CEEDHN C=CCC[C@H](O)CN[C@@H](CCC)c1nnc2ccccn21 ZINC000347643335 527495343 /nfs/dbraw/zinc/49/53/43/527495343.db2.gz WFRHFSCBWSXYBP-KBPBESRZSA-N 0 3 288.395 2.487 20 30 CEEDHN CC(C)[C@H]1CCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000332458687 527803980 /nfs/dbraw/zinc/80/39/80/527803980.db2.gz IISUHKGTFMRVOV-HZPDHXFCSA-N 0 3 281.359 2.497 20 30 CEEDHN CC(C)[C@H]1CCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000332458690 527805167 /nfs/dbraw/zinc/80/51/67/527805167.db2.gz IISUHKGTFMRVOV-JKSUJKDBSA-N 0 3 281.359 2.497 20 30 CEEDHN CC(C)[C@@H](NCCCC(C)(C)C#N)c1nncn1C ZINC000352484512 528585339 /nfs/dbraw/zinc/58/53/39/528585339.db2.gz QHEJNQPWOAALFU-GFCCVEGCSA-N 0 3 263.389 2.432 20 30 CEEDHN CC(C)[C@@H]1CCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000332458682 528704661 /nfs/dbraw/zinc/70/46/61/528704661.db2.gz IISUHKGTFMRVOV-CVEARBPZSA-N 0 3 281.359 2.497 20 30 CEEDHN CC(C)N1CCC[C@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC000329985247 529020007 /nfs/dbraw/zinc/02/00/07/529020007.db2.gz QXPBAWBDLXXDDE-VIFPVBQESA-N 0 3 269.370 2.026 20 30 CEEDHN CCS[C@@H]1CCCC[C@H]1NCC(=O)NC1(C#N)CCC1 ZINC000347207953 529211595 /nfs/dbraw/zinc/21/15/95/529211595.db2.gz SRGRSLLUQARZBX-CHWSQXEVSA-N 0 3 295.452 2.203 20 30 CEEDHN C#Cc1cccc(NC(=S)N2CCCN(CC)CC2)c1 ZINC000726488692 574426822 /nfs/dbraw/zinc/42/68/22/574426822.db2.gz ZKHXNXRYTKBXGO-UHFFFAOYSA-N 0 3 287.432 2.392 20 30 CEEDHN CNC(=S)NN=C1CCCC[C@H]1N1C[C@H](C)C[C@H](C)C1 ZINC000751516286 574469990 /nfs/dbraw/zinc/46/99/90/574469990.db2.gz HHSPGCBFRBTGND-MBNYWOFBSA-N 0 3 296.484 2.357 20 30 CEEDHN C#Cc1ccc(C(=O)N2CCC[C@H]2CN2CCCCC2)cn1 ZINC000728866047 574473018 /nfs/dbraw/zinc/47/30/18/574473018.db2.gz WSFUTTLLBFPLOD-KRWDZBQOSA-N 0 3 297.402 2.153 20 30 CEEDHN CCO[C@H](C)C(=O)C(C#N)c1nc2ccccc2n1C ZINC000729067919 574477694 /nfs/dbraw/zinc/47/76/94/574477694.db2.gz TVXVWFLGPGPOKC-GHMZBOCLSA-N 0 3 271.320 2.175 20 30 CEEDHN CCCCCCCN1CCC(N(C)S(C)(=O)=O)CC1 ZINC000740876187 574483386 /nfs/dbraw/zinc/48/33/86/574483386.db2.gz QANMQVCYDRFOQN-UHFFFAOYSA-N 0 3 290.473 2.313 20 30 CEEDHN C[C@H]1CCN(CCNC(=S)Nc2ccccc2C#N)C1 ZINC000745181334 574487474 /nfs/dbraw/zinc/48/74/74/574487474.db2.gz QTDQAPXNLFCLJF-LBPRGKRZSA-N 0 3 288.420 2.186 20 30 CEEDHN N#CCCNC(=O)CN[C@H](c1ccccc1)C1CCC1 ZINC000729474910 574488572 /nfs/dbraw/zinc/48/85/72/574488572.db2.gz PVDXILHJEROKBN-MRXNPFEDSA-N 0 3 271.364 2.147 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)/C=C/CCC)CC1 ZINC000729976239 574497643 /nfs/dbraw/zinc/49/76/43/574497643.db2.gz YVBXKNVFRNGXQV-VOTSOKGWSA-N 0 3 250.386 2.499 20 30 CEEDHN N=C(N)N=NC1CCC[C@@H]1c1ccccc1Cl ZINC000758102477 574514451 /nfs/dbraw/zinc/51/44/51/574514451.db2.gz AAJDHIWQRGFVRX-SECBINFHSA-N 0 3 250.733 2.447 20 30 CEEDHN N=C(N)N=NC1CCC[C@H]1c1ccccc1Cl ZINC000758102503 574514492 /nfs/dbraw/zinc/51/44/92/574514492.db2.gz AAJDHIWQRGFVRX-VIFPVBQESA-N 0 3 250.733 2.447 20 30 CEEDHN CCN(CCN1CCOC1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000731103541 574589038 /nfs/dbraw/zinc/58/90/38/574589038.db2.gz AVPZBUVPSCBFKZ-ZDUSSCGKSA-N 0 3 287.363 2.393 20 30 CEEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000735205468 574747329 /nfs/dbraw/zinc/74/73/29/574747329.db2.gz CAXYOLDKEFHFNU-TZOMUSMUSA-N 0 3 257.293 2.085 20 30 CEEDHN CCN(CCOC)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000739842073 574934584 /nfs/dbraw/zinc/93/45/84/574934584.db2.gz ZJSMQZHHEFPNEY-UHFFFAOYSA-N 0 3 299.378 2.051 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H]3CCOC3)nc21 ZINC000740562582 574959205 /nfs/dbraw/zinc/95/92/05/574959205.db2.gz SQKUBLVVWQGOSG-NEPJUHHUSA-N 0 3 283.331 2.474 20 30 CEEDHN Cc1cccc2nc(C(C#N)C(=O)C[C@H]3CCOC3)[nH]c21 ZINC000740562582 574959206 /nfs/dbraw/zinc/95/92/06/574959206.db2.gz SQKUBLVVWQGOSG-NEPJUHHUSA-N 0 3 283.331 2.474 20 30 CEEDHN C#CCCN1CCC(NC(=O)C[C@H](C)C2CC2)CC1 ZINC000740737561 574967254 /nfs/dbraw/zinc/96/72/54/574967254.db2.gz QUALQVIEYJTYLJ-ZDUSSCGKSA-N 0 3 262.397 2.027 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccco1 ZINC000744023118 575112351 /nfs/dbraw/zinc/11/23/51/575112351.db2.gz VBAHSYWLYFFKFG-VXGBXAGGSA-N 0 3 276.336 2.398 20 30 CEEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1Cc2ccccc21 ZINC000744027309 575112409 /nfs/dbraw/zinc/11/24/09/575112409.db2.gz PNEABEUTTPHPEZ-HZPDHXFCSA-N 0 3 296.370 2.484 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccco1 ZINC000744023115 575112458 /nfs/dbraw/zinc/11/24/58/575112458.db2.gz VBAHSYWLYFFKFG-NWDGAFQWSA-N 0 3 276.336 2.398 20 30 CEEDHN N#CC(C(=O)C=CC1CC1)C(=O)Nc1ccccc1 ZINC000744027875 575112474 /nfs/dbraw/zinc/11/24/74/575112474.db2.gz BZXNVIKLBNYALF-XEHSLEBBSA-N 0 3 254.289 2.300 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](C)c1nc2ccccc2o1 ZINC000746641930 575161474 /nfs/dbraw/zinc/16/14/74/575161474.db2.gz DGQXCRHLVCSPTG-UWVGGRQHSA-N 0 3 257.293 2.207 20 30 CEEDHN CCN1CC[C@H](N(C)C(=O)C#Cc2ccccc2)C[C@@H]1C ZINC000747401359 575170157 /nfs/dbraw/zinc/17/01/57/575170157.db2.gz ISYJEPHPSMKLJT-RDJZCZTQSA-N 0 3 284.403 2.369 20 30 CEEDHN N#Cc1csc(CNCc2ccnc(-n3ccnc3)c2)c1 ZINC000748099485 575178309 /nfs/dbraw/zinc/17/83/09/575178309.db2.gz QLXPZCJXLDITMZ-UHFFFAOYSA-N 0 3 295.371 2.490 20 30 CEEDHN C=CCNC(=S)NN=C1CCCC[C@@H]1N1CCCCC1 ZINC000748782326 575195771 /nfs/dbraw/zinc/19/57/71/575195771.db2.gz NXAVJJWNHRBNQS-AWEZNQCLSA-N 0 3 294.468 2.421 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000751501739 575290673 /nfs/dbraw/zinc/29/06/73/575290673.db2.gz ZPDWBDPLDLRRGN-QFBILLFUSA-N 0 3 298.430 2.469 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000751501740 575290758 /nfs/dbraw/zinc/29/07/58/575290758.db2.gz ZPDWBDPLDLRRGN-VQIMIIECSA-N 0 3 298.430 2.469 20 30 CEEDHN COc1cccc(C(=O)C(C#N)C(=O)Nc2ccccc2)n1 ZINC000752161970 575306314 /nfs/dbraw/zinc/30/63/14/575306314.db2.gz YHBWEWAHSASPEZ-LBPRGKRZSA-N 0 3 295.298 2.051 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)C1CC(F)(F)C1 ZINC000753803074 575342959 /nfs/dbraw/zinc/34/29/59/575342959.db2.gz SWZBEZHQIHISAV-LLVKDONJSA-N 0 3 278.258 2.379 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)CCc2ccc(Cl)s2)C1 ZINC000970704817 612960493 /nfs/dbraw/zinc/96/04/93/612960493.db2.gz BJRYMBQORDSMDE-LLVKDONJSA-N 0 3 296.823 2.158 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2)C1 ZINC000970640934 612960774 /nfs/dbraw/zinc/96/07/74/612960774.db2.gz YJQZXTFVTLSXAJ-GDBMZVCRSA-N 0 3 270.376 2.004 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC000969425770 612961359 /nfs/dbraw/zinc/96/13/59/612961359.db2.gz FVXXQRBYWCLFBZ-FGTMMUONSA-N 0 3 296.414 2.079 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC000969142737 612965038 /nfs/dbraw/zinc/96/50/38/612965038.db2.gz DDIYQXDDXRHMRC-GFCCVEGCSA-N 0 3 299.349 2.053 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(CC(C)C)s2)C1 ZINC000968940066 612965433 /nfs/dbraw/zinc/96/54/33/612965433.db2.gz XQNSQEZIQIZDDS-CYBMUJFWSA-N 0 3 290.432 2.384 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(C)s2)C1 ZINC000969216752 612995231 /nfs/dbraw/zinc/99/52/31/612995231.db2.gz YBYCKXJKNTYDDM-GFCCVEGCSA-N 0 3 276.405 2.130 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(Cl)cc2)C1 ZINC000970783345 612995168 /nfs/dbraw/zinc/99/51/68/612995168.db2.gz ISHAVBSQZOHGGQ-GFCCVEGCSA-N 0 3 290.794 2.413 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)C2CCCCC2)C1 ZINC000969227884 612996455 /nfs/dbraw/zinc/99/64/55/612996455.db2.gz RIGJIJDHGJYAOT-ZDUSSCGKSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc(C)cs2)C1 ZINC000969627863 612997039 /nfs/dbraw/zinc/99/70/39/612997039.db2.gz IVVZVEATDIMWTK-LBPRGKRZSA-N 0 3 276.405 2.130 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccccc2CC)C1 ZINC000970346452 612997746 /nfs/dbraw/zinc/99/77/46/612997746.db2.gz PPQILGZOOWFNGQ-AWEZNQCLSA-N 0 3 284.403 2.322 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2sccc2C)C1 ZINC000969212767 612998633 /nfs/dbraw/zinc/99/86/33/612998633.db2.gz GXESYZUXVVDDIY-LBPRGKRZSA-N 0 3 276.405 2.130 20 30 CEEDHN C#CCCN1CCCN(C(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC000981226907 613002880 /nfs/dbraw/zinc/00/28/80/613002880.db2.gz NZAITOBALTWGGB-HZPDHXFCSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc[nH]c2CC)C1 ZINC000965990035 613014307 /nfs/dbraw/zinc/01/43/07/613014307.db2.gz LZEPDGQKYCPDMD-CJNGLKHVSA-N 0 3 287.407 2.041 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC000967081929 613023000 /nfs/dbraw/zinc/02/30/00/613023000.db2.gz DDAQVXXZYMAAIT-YOEHRIQHSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C)C1 ZINC000964777759 613023172 /nfs/dbraw/zinc/02/31/72/613023172.db2.gz XRIIHJRKLBYUPJ-RDJZCZTQSA-N 0 3 284.403 2.459 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965991707 613023890 /nfs/dbraw/zinc/02/38/90/613023890.db2.gz VUIBXMMOCZPDHF-DZGCQCFKSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C2C=CC=CC=C2)C1 ZINC000966460994 613024061 /nfs/dbraw/zinc/02/40/61/613024061.db2.gz WQHJIUMLIYCNDY-DOTOQJQBSA-N 0 3 284.403 2.135 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccoc2C)C1 ZINC000964933930 613025072 /nfs/dbraw/zinc/02/50/72/613025072.db2.gz JHJSTIGQOAKUNT-SWLSCSKDSA-N 0 3 274.364 2.052 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cc[nH]c2CC)C(C)(C)C1 ZINC000974549064 613032566 /nfs/dbraw/zinc/03/25/66/613032566.db2.gz VLFFJUVRNJYVLH-OAHLLOKOSA-N 0 3 287.407 2.041 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2ncccc2CC)C(C)(C)C1 ZINC000974753540 613039089 /nfs/dbraw/zinc/03/90/89/613039089.db2.gz KICYFRPHYATJLQ-HNNXBMFYSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2occc2CC)CC1 ZINC000948748253 613163915 /nfs/dbraw/zinc/16/39/15/613163915.db2.gz FPJHURRTEKOZKD-OAHLLOKOSA-N 0 3 288.391 2.402 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)CC2CC(F)(F)C2)CC1 ZINC000948561085 613177845 /nfs/dbraw/zinc/17/78/45/613177845.db2.gz JEKLBDWMTNNIII-AWEZNQCLSA-N 0 3 298.377 2.368 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)Cc2cccs2)CC1 ZINC000948148846 613177888 /nfs/dbraw/zinc/17/78/88/613177888.db2.gz IZNDMRBLHVXGKR-AWEZNQCLSA-N 0 3 290.432 2.237 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc(C)c(C)n2)CC1 ZINC000948621944 613179256 /nfs/dbraw/zinc/17/92/56/613179256.db2.gz YFBYQJNTEJVOFQ-INIZCTEOSA-N 0 3 299.418 2.258 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@H](C)C1 ZINC000942577749 613224842 /nfs/dbraw/zinc/22/48/42/613224842.db2.gz OPUSZKNAOZNJCG-UKRRQHHQSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cccc(CC)c2)C[C@@H]1C ZINC000947460495 613226664 /nfs/dbraw/zinc/22/66/64/613226664.db2.gz URAZIPGZRQGYRX-MAUKXSAKSA-N 0 3 298.430 2.394 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2c[nH]cc2C2CC2)C[C@H]1C ZINC000947877453 613231484 /nfs/dbraw/zinc/23/14/84/613231484.db2.gz CJZICGFGLJYOGK-TZMCWYRMSA-N 0 3 285.391 2.108 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cccn2C(C)C)C[C@H]1C ZINC000948048039 613237617 /nfs/dbraw/zinc/23/76/17/613237617.db2.gz OCZFAYXRBRCDTJ-HUUCEWRRSA-N 0 3 287.407 2.285 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2CC)C[C@H]1C ZINC000947666323 613237754 /nfs/dbraw/zinc/23/77/54/613237754.db2.gz DPJOJKQBLHKLGF-GDBMZVCRSA-N 0 3 284.403 2.465 20 30 CEEDHN C=C(C)CCN1CCCN(C(=O)c2conc2CC)CC1 ZINC000981902592 613255399 /nfs/dbraw/zinc/25/53/99/613255399.db2.gz XBHUZBPOUBFUGV-UHFFFAOYSA-N 0 3 291.395 2.351 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2Cc3ccccc3C2)C[C@H]1C ZINC000947741766 613258884 /nfs/dbraw/zinc/25/88/84/613258884.db2.gz SLGOIXQBHVRDHP-KDOFPFPSSA-N 0 3 296.414 2.004 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccsc2C)C[C@H]1C ZINC000947783420 613261166 /nfs/dbraw/zinc/26/11/66/613261166.db2.gz OMCLOCJTVAJFHA-DOMZBBRYSA-N 0 3 290.432 2.201 20 30 CEEDHN C=C(C)CCN1CCOC2(CCN(C(=O)CC)CC2)C1 ZINC000949263840 613263426 /nfs/dbraw/zinc/26/34/26/613263426.db2.gz XIUZZNWPDAGDFD-UHFFFAOYSA-N 0 3 280.412 2.056 20 30 CEEDHN C=C(C)CCN1CC[C@@H](C)[C@@H](NC(=O)C(F)F)C1 ZINC000964596770 613263565 /nfs/dbraw/zinc/26/35/65/613263565.db2.gz HOFZIZQHWRUNNH-MNOVXSKESA-N 0 3 260.328 2.044 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cc[nH]c2C2CCC2)C[C@H]1C ZINC000947725724 613267724 /nfs/dbraw/zinc/26/77/24/613267724.db2.gz CCBIYGGXRYPUEV-HIFRSBDPSA-N 0 3 299.418 2.498 20 30 CEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H](C)C3CCC3)C[C@]2(C)C1 ZINC000982304698 613293393 /nfs/dbraw/zinc/29/33/93/613293393.db2.gz KGHJOEDPTHTPEH-OLMNPRSZSA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@]3(C)C=CCC3)C[C@]2(C)C1 ZINC000982452625 613293693 /nfs/dbraw/zinc/29/36/93/613293693.db2.gz SJCXNDJVOVVQIQ-KURKYZTESA-N 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CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc[nH]c2C)C1 ZINC001021552864 623280257 /nfs/dbraw/zinc/28/02/57/623280257.db2.gz DPRQGHWHESXWGL-DOTOQJQBSA-N 0 3 299.418 2.273 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C2=CCCC2)C1 ZINC001021562364 623292121 /nfs/dbraw/zinc/29/21/21/623292121.db2.gz KKKRELGHNSUFJY-DLBZAZTESA-N 0 3 286.419 2.433 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001024561777 625644378 /nfs/dbraw/zinc/64/43/78/625644378.db2.gz YDFSPFDKSJVUHU-CYBMUJFWSA-N 0 3 279.359 2.314 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccccc2F)C1 ZINC001021778177 623487399 /nfs/dbraw/zinc/48/73/99/623487399.db2.gz CTIBZWOYDLNARV-PHIMTYICSA-N 0 3 282.746 2.429 20 30 CEEDHN CC(C)C[C@H]1CN(C)CCN1Cc1cncc(C#N)c1 ZINC000933256767 623563946 /nfs/dbraw/zinc/56/39/46/623563946.db2.gz PKXHBCISRFAVQA-INIZCTEOSA-N 0 3 272.396 2.115 20 30 CEEDHN C#CCC1(N[C@H](C)C(=O)N2CCc3ccccc32)CCC1 ZINC000933304271 623632634 /nfs/dbraw/zinc/63/26/34/623632634.db2.gz KEFOEOHDSIAPOF-CQSZACIVSA-N 0 3 282.387 2.500 20 30 CEEDHN C=C(C)CN(CC)C(=O)CNC1([C@@H]2CCCCO2)CC1 ZINC000933377152 623697587 /nfs/dbraw/zinc/69/75/87/623697587.db2.gz GEGPUUNPYLPJKG-AWEZNQCLSA-N 0 3 280.412 2.102 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2ccccc2)C1 ZINC001022298412 623933407 /nfs/dbraw/zinc/93/34/07/623933407.db2.gz ISLNYYGNYSRZBV-OKILXGFUSA-N 0 3 278.783 2.218 20 30 CEEDHN CC(C)CC[C@@H](O)CN1CCC2(CC1)CC(=O)C=CO2 ZINC000933646938 623944378 /nfs/dbraw/zinc/94/43/78/623944378.db2.gz RXSRPDKKDBYABP-OAHLLOKOSA-N 0 3 281.396 2.121 20 30 CEEDHN C=CC(C)(C)CNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000891936451 624119456 /nfs/dbraw/zinc/11/94/56/624119456.db2.gz SOHOTYNLVMMKPZ-OAHLLOKOSA-N 0 3 287.407 2.212 20 30 CEEDHN C[C@@H](O)C[C@@H]1CCCN1Cc1csc(C#N)c1 ZINC000892066931 624289922 /nfs/dbraw/zinc/28/99/22/624289922.db2.gz ZRDRSGOUTOFFQL-PWSUYJOCSA-N 0 3 250.367 2.355 20 30 CEEDHN C#CCNC(=O)CN[C@@](C)(CCC)c1ccccc1 ZINC000934183235 624297904 /nfs/dbraw/zinc/29/79/04/624297904.db2.gz MPSBIDFELVCOLN-INIZCTEOSA-N 0 3 258.365 2.041 20 30 CEEDHN CN(Cc1csc(C#N)c1)[C@@H](CO)C(C)(C)C ZINC000892180899 624384436 /nfs/dbraw/zinc/38/44/36/624384436.db2.gz VGSCZRNMMBLCTM-LBPRGKRZSA-N 0 3 252.383 2.459 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001022686600 624392903 /nfs/dbraw/zinc/39/29/03/624392903.db2.gz MHZWQUAXXOOMJT-TXEJJXNPSA-N 0 3 268.788 2.166 20 30 CEEDHN N#CC(C(=O)CCn1cccn1)c1nc2ccccc2[nH]1 ZINC000048790265 624575971 /nfs/dbraw/zinc/57/59/71/624575971.db2.gz YSYDDLITPSCGAI-LLVKDONJSA-N 0 3 279.303 2.026 20 30 CEEDHN Cc1ccccc1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC(C)C ZINC000158754424 624629378 /nfs/dbraw/zinc/62/93/78/624629378.db2.gz OVSVPOOGSNQGSY-RRFJBIMHSA-N 0 3 284.359 2.332 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001023230973 624968585 /nfs/dbraw/zinc/96/85/85/624968585.db2.gz ICSAMGARFXJQDZ-HOTGVXAUSA-N 0 3 274.408 2.194 20 30 CEEDHN C=CCN1CCC[C@H](CNC(=O)c2cc(C)sn2)C1 ZINC001023341333 624992696 /nfs/dbraw/zinc/99/26/96/624992696.db2.gz YDXYPLFLJGTMGV-GFCCVEGCSA-N 0 3 279.409 2.079 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(C(C)C)nc2)C1 ZINC001023415129 625009861 /nfs/dbraw/zinc/00/98/61/625009861.db2.gz IRWZRAMJHKWUMI-OAHLLOKOSA-N 0 3 299.418 2.280 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001023451618 625017983 /nfs/dbraw/zinc/01/79/83/625017983.db2.gz RIDNYGRVHYXPOJ-JKSUJKDBSA-N 0 3 288.435 2.418 20 30 CEEDHN C=CCN1CCC[C@H](CNC(=O)c2nccc3occc32)C1 ZINC001023503963 625026654 /nfs/dbraw/zinc/02/66/54/625026654.db2.gz XJDAJCCFPBKDHL-CYBMUJFWSA-N 0 3 299.374 2.456 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001023547114 625039341 /nfs/dbraw/zinc/03/93/41/625039341.db2.gz DEAWJORBGSHDRF-CABCVRRESA-N 0 3 276.424 2.274 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cccc3[nH]ccc32)C1 ZINC001023610105 625069214 /nfs/dbraw/zinc/06/92/14/625069214.db2.gz ZYEPGYPMDZOLQX-AWEZNQCLSA-N 0 3 295.386 2.243 20 30 CEEDHN C=CCN1CCC[C@H](CNC(=O)c2cc(C(C)C)no2)C1 ZINC001023631287 625083995 /nfs/dbraw/zinc/08/39/95/625083995.db2.gz UDDWETVPNSNWDI-CYBMUJFWSA-N 0 3 291.395 2.426 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001023644701 625093812 /nfs/dbraw/zinc/09/38/12/625093812.db2.gz QOMBOQCKJFYWEW-HYVNUMGLSA-N 0 3 288.435 2.274 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001023709312 625131143 /nfs/dbraw/zinc/13/11/43/625131143.db2.gz QTBABFBUBNHZJG-RYQLBKOJSA-N 0 3 296.414 2.252 20 30 CEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001024708838 625770287 /nfs/dbraw/zinc/77/02/87/625770287.db2.gz ZPELNXWBKAKBKQ-YESZJQIVSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CCC1 ZINC001025188211 627374060 /nfs/dbraw/zinc/37/40/60/627374060.db2.gz HUPRLDYKTFKWII-JKSUJKDBSA-N 0 3 274.408 2.265 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccsc2)C1 ZINC001025327612 627635860 /nfs/dbraw/zinc/63/58/60/627635860.db2.gz BWXOTYIICUEWOG-CHWSQXEVSA-N 0 3 276.405 2.212 20 30 CEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccoc2C)C1 ZINC001025332910 627638545 /nfs/dbraw/zinc/63/85/45/627638545.db2.gz WIJICKUBWNWZOL-HIFRSBDPSA-N 0 3 288.391 2.442 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc(CC)n2)C1 ZINC001025441399 627698548 /nfs/dbraw/zinc/69/85/48/627698548.db2.gz CXBIICPCDQFZAL-CABCVRRESA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CC3(CCC3)C2)C1 ZINC001025510874 627729312 /nfs/dbraw/zinc/72/93/12/627729312.db2.gz ZIAWFRATLVEWGS-LSDHHAIUSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN1CCC[C@H]([NH2+][C@@H](C)c2cc([O-])cc(F)c2)C1 ZINC000926864747 627854628 /nfs/dbraw/zinc/85/46/28/627854628.db2.gz CVCDTGFAPAFRID-WFASDCNBSA-N 0 3 276.355 2.280 20 30 CEEDHN C=CCCCN(CC)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000893019512 627947782 /nfs/dbraw/zinc/94/77/82/627947782.db2.gz UINBRCMFSUQREX-ZDUSSCGKSA-N 0 3 265.401 2.221 20 30 CEEDHN CCN1C[C@H](C)N(c2cc(C)cc(C#N)n2)C[C@H]1C ZINC000893050301 627966515 /nfs/dbraw/zinc/96/65/15/627966515.db2.gz IZACMGSYKWWIMZ-OLZOCXBDSA-N 0 3 258.369 2.181 20 30 CEEDHN C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001026206668 628077594 /nfs/dbraw/zinc/07/75/94/628077594.db2.gz KCRNETTWNMNLMO-NWANDNLSSA-N 0 3 286.375 2.018 20 30 CEEDHN CCOC(=O)C1(CNCC#Cc2ccccc2)CCC1 ZINC000893526750 628679174 /nfs/dbraw/zinc/67/91/74/628679174.db2.gz JQOAJHQSKNTMCJ-UHFFFAOYSA-N 0 3 271.360 2.361 20 30 CEEDHN C[C@H](c1ccccc1)N1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000980838655 628815502 /nfs/dbraw/zinc/81/55/02/628815502.db2.gz VENGMPSALFRFSX-LSDHHAIUSA-N 0 3 285.391 2.442 20 30 CEEDHN N#CCCc1ccc(N[C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000925824607 628894152 /nfs/dbraw/zinc/89/41/52/628894152.db2.gz ZHZBGIOLPVEEIT-IRXDYDNUSA-N 0 3 285.391 2.322 20 30 CEEDHN C[C@H]1CSC[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877516449 629176856 /nfs/dbraw/zinc/17/68/56/629176856.db2.gz AADDNRVVTLGHGT-KWQFWETISA-N 0 3 267.785 2.448 20 30 CEEDHN C=CCCC[C@H]1NC(=O)N(C[C@@H]2CCN2C(C)(C)C)C1=O ZINC000924978313 629316852 /nfs/dbraw/zinc/31/68/52/629316852.db2.gz GHHIUPYWAZGESJ-QWHCGFSZSA-N 0 3 293.411 2.136 20 30 CEEDHN C#C[C@@H](NCc1[nH]cc(C(=O)OC)c1C1CC1)C(C)C ZINC000894386918 629419933 /nfs/dbraw/zinc/41/99/33/629419933.db2.gz FWMQCSZLJMHDLH-CYBMUJFWSA-N 0 3 274.364 2.426 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](C)COC(C)=O)cc1 ZINC000894389159 629421989 /nfs/dbraw/zinc/42/19/89/629421989.db2.gz MUXBNJBIHGAGLN-LBPRGKRZSA-N 0 3 263.337 2.293 20 30 CEEDHN C[C@H]1[C@H](NC(=O)C(C)(C)c2ccc(C#N)cc2)CCN1C ZINC000928427377 629503202 /nfs/dbraw/zinc/50/32/02/629503202.db2.gz RNOOZWNLDJPUGD-SWLSCSKDSA-N 0 3 285.391 2.045 20 30 CEEDHN CC[C@@H]1[C@H](CO)CCN1Cc1csc(C#N)c1 ZINC000894688171 629591988 /nfs/dbraw/zinc/59/19/88/629591988.db2.gz NIOBUNNDJHXBJN-WCQYABFASA-N 0 3 250.367 2.213 20 30 CEEDHN C#Cc1cccc(CN[C@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000894776854 629628988 /nfs/dbraw/zinc/62/89/88/629628988.db2.gz XVVLYJKZGISBGV-HOTGVXAUSA-N 0 3 289.350 2.391 20 30 CEEDHN C#CCC1(C(=O)N[C@H]2CCN(C)[C@@H]2C)CCCCC1 ZINC000928444542 629680624 /nfs/dbraw/zinc/68/06/24/629680624.db2.gz UDDCNWHHSNOBGS-KGLIPLIRSA-N 0 3 262.397 2.169 20 30 CEEDHN COC(=O)c1c[nH]c(CN[C@@H]2CC[C@H](C#N)C2)c1C1CC1 ZINC000895010952 629794201 /nfs/dbraw/zinc/79/42/01/629794201.db2.gz YPSJXYXETZFYEB-CMPLNLGQSA-N 0 3 287.363 2.461 20 30 CEEDHN C[C@@H]1C[C@H](c2ccccc2)N(CC(=O)NCCC#N)C1 ZINC000796621686 629948166 /nfs/dbraw/zinc/94/81/66/629948166.db2.gz USRICXYVQNFSKX-UKRRQHHQSA-N 0 3 271.364 2.099 20 30 CEEDHN CCC[C@H]([NH2+][C@@H]1CCCN([O-])C1=O)[C@H]1CC1(C)C ZINC000895157253 629972989 /nfs/dbraw/zinc/97/29/89/629972989.db2.gz OBZHXIMNFCWBMW-GRYCIOLGSA-N 0 3 254.374 2.171 20 30 CEEDHN O=C1[C@@H]([NH2+]C2CCC(C3CCC3)CC2)CCCN1[O-] ZINC000895158078 629974870 /nfs/dbraw/zinc/97/48/70/629974870.db2.gz WHBRNJXHAFFDLK-RUXDESIVSA-N 0 3 266.385 2.315 20 30 CEEDHN C[C@H]([NH2+][C@@H]1CCCN([O-])C1=O)[C@@H]1C[C@H]1c1cccs1 ZINC000895158820 629974885 /nfs/dbraw/zinc/97/48/85/629974885.db2.gz OOLFAJLSVGGVLJ-NNYUYHANSA-N 0 3 280.393 2.210 20 30 CEEDHN CC[C@H](Cc1cccs1)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895160646 629978037 /nfs/dbraw/zinc/97/80/37/629978037.db2.gz NJVVFRWWZZOBEA-PWSUYJOCSA-N 0 3 268.382 2.039 20 30 CEEDHN O=C1[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)CCCN1[O-] ZINC000895160389 629978854 /nfs/dbraw/zinc/97/88/54/629978854.db2.gz MMXMWJWCTJRJNW-UDNWOFFPSA-N 0 3 280.290 2.077 20 30 CEEDHN CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895161904 629979815 /nfs/dbraw/zinc/97/98/15/629979815.db2.gz VNKPBWJQHGWCRT-CABCVRRESA-N 0 3 276.380 2.286 20 30 CEEDHN C#C[C@H](NCc1cnc2onc(C)c2c1)C1CCOCC1 ZINC000895331902 630119895 /nfs/dbraw/zinc/11/98/95/630119895.db2.gz BIOFAZMAKUNNRC-HNNXBMFYSA-N 0 3 285.347 2.049 20 30 CEEDHN C#CC[C@H]1CCN(Cc2cc(C(=O)OC)c(CC)[nH]2)C1 ZINC000895391357 630160426 /nfs/dbraw/zinc/16/04/26/630160426.db2.gz YBSUODVMGDQHEN-LBPRGKRZSA-N 0 3 274.364 2.209 20 30 CEEDHN Cc1ncoc1CN[C@H]1Cc2ccc(C#N)cc2C1 ZINC000895467891 630208459 /nfs/dbraw/zinc/20/84/59/630208459.db2.gz PJVMVTHZXMNCPF-AWEZNQCLSA-N 0 3 253.305 2.112 20 30 CEEDHN C#CC1(NCc2cccn(C(F)F)c2=O)CCCC1 ZINC000895676611 630296368 /nfs/dbraw/zinc/29/63/68/630296368.db2.gz AQUITEQVRGNJIV-UHFFFAOYSA-N 0 3 266.291 2.279 20 30 CEEDHN C#C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCCN2C)c1ccccc1 ZINC000895686811 630301420 /nfs/dbraw/zinc/30/14/20/630301420.db2.gz IWAAHAKXPOPJQJ-BBWFWOEESA-N 0 3 297.402 2.239 20 30 CEEDHN C[C@@H]1C[C@]2(CC[C@H](CNCC#Cc3ccccc3)O2)CO1 ZINC000896055697 630450307 /nfs/dbraw/zinc/45/03/07/630450307.db2.gz XKVZLUYDZIQYPC-KBAYOESNSA-N 0 3 285.387 2.354 20 30 CEEDHN C#Cc1ccc(CN2CC[C@@H](c3noc(C)n3)C2)cc1 ZINC000896233875 630505294 /nfs/dbraw/zinc/50/52/94/630505294.db2.gz YKQQUXYCDRLDHP-OAHLLOKOSA-N 0 3 267.332 2.349 20 30 CEEDHN CO[C@]12CCC[C@@]1(NCc1cc(C#N)cs1)CCO2 ZINC000896412796 630558105 /nfs/dbraw/zinc/55/81/05/630558105.db2.gz AEKJBDVTHMZPCK-KGLIPLIRSA-N 0 3 278.377 2.395 20 30 CEEDHN N#Cc1c(F)cccc1NC[C@H]1CCN1C1CCOCC1 ZINC000896517285 630587394 /nfs/dbraw/zinc/58/73/94/630587394.db2.gz WPBBLCUQIMOHFQ-CYBMUJFWSA-N 0 3 289.354 2.363 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000896898607 630770076 /nfs/dbraw/zinc/77/00/76/630770076.db2.gz KTFUOGDVXPNJMF-IUODEOHRSA-N 0 3 268.360 2.023 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cn(-c2ccccc2)nn1 ZINC000797878310 630771667 /nfs/dbraw/zinc/77/16/67/630771667.db2.gz SPFYXEZXRONSFK-WMLDXEAASA-N 0 3 298.390 2.338 20 30 CEEDHN C=CCN1CC[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000798396089 630864829 /nfs/dbraw/zinc/86/48/29/630864829.db2.gz SYDCMFDJTIXCIN-BBRMVZONSA-N 0 3 287.407 2.190 20 30 CEEDHN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000796629805 630872423 /nfs/dbraw/zinc/87/24/23/630872423.db2.gz ABBYXGRFVDHQKS-TURKWSHLSA-N 0 3 275.352 2.331 20 30 CEEDHN CCC(=NNCC(C)(C)CO)c1ccc(N(C)C)cc1 ZINC000799117868 630981333 /nfs/dbraw/zinc/98/13/33/630981333.db2.gz ZJCIHYBRTLPPJM-UHFFFAOYSA-N 0 3 277.412 2.475 20 30 CEEDHN CCCCCCCS(=O)(=O)NCCN1CC[C@H](C)C1 ZINC000799778719 631077166 /nfs/dbraw/zinc/07/71/66/631077166.db2.gz CQTDSOVOIMFOOJ-AWEZNQCLSA-N 0 3 290.473 2.218 20 30 CEEDHN C[C@@H]1C[C@H](C)[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2)O1 ZINC000800385571 631117342 /nfs/dbraw/zinc/11/73/42/631117342.db2.gz ZVRSVLFQEDSARD-FMVNMVDZSA-N 0 3 286.331 2.147 20 30 CEEDHN C#Cc1ccc(CN[C@@H]2C(=O)NCC2(CC)CC)cc1 ZINC000897343495 631147748 /nfs/dbraw/zinc/14/77/48/631147748.db2.gz UCWBEEDJPPBHJS-OAHLLOKOSA-N 0 3 270.376 2.062 20 30 CEEDHN CCN(CCO[C@@H](C)C#N)C[C@H]1COc2ccccc2O1 ZINC000801909748 631349281 /nfs/dbraw/zinc/34/92/81/631349281.db2.gz GMWMJGRRZBUOMS-KBPBESRZSA-N 0 3 290.363 2.077 20 30 CEEDHN Cc1ccccc1OCCN(C)CCO[C@H](C)C#N ZINC000801909447 631350019 /nfs/dbraw/zinc/35/00/19/631350019.db2.gz BYOIXKSXYSUUJG-CQSZACIVSA-N 0 3 262.353 2.234 20 30 CEEDHN COc1ccc(F)cc1[C@@H](C)NCCO[C@H](C)C#N ZINC000801937133 631362666 /nfs/dbraw/zinc/36/26/66/631362666.db2.gz FGPBHENFKFDOOO-GHMZBOCLSA-N 0 3 266.316 2.414 20 30 CEEDHN C[C@@H](C#N)OCCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000801939111 631364550 /nfs/dbraw/zinc/36/45/50/631364550.db2.gz MQTGDAMMUUQDFL-QWRGUYRKSA-N 0 3 263.297 2.174 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(Cl)cc2F)C1 ZINC000989139592 631734877 /nfs/dbraw/zinc/73/48/77/631734877.db2.gz WOZMBJZPKNESAJ-CMPLNLGQSA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cnc3ccsc3c2)C1 ZINC000989299098 631770494 /nfs/dbraw/zinc/77/04/94/631770494.db2.gz GRVJVQFTQFPKHK-AAEUAGOBSA-N 0 3 299.399 2.122 20 30 CEEDHN C#Cc1ccc(CN2CCC(N3CCCOC3=O)CC2)cc1 ZINC000897592792 631803023 /nfs/dbraw/zinc/80/30/23/631803023.db2.gz QMVACRVFBMOOHB-UHFFFAOYSA-N 0 3 298.386 2.475 20 30 CEEDHN CCO[C@H]1CCC[C@@H](NCc2nc(C#N)cs2)C1 ZINC000897627137 631835580 /nfs/dbraw/zinc/83/55/80/631835580.db2.gz ZVUWOBBHOMPCQP-PWSUYJOCSA-N 0 3 265.382 2.452 20 30 CEEDHN C=CCN1CCN(CN2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)C1=O ZINC000840114068 631865689 /nfs/dbraw/zinc/86/56/89/631865689.db2.gz DQNSHDSPODSEFA-AESZEHBQSA-N 0 3 287.407 2.012 20 30 CEEDHN N#CC[C@@H](O)CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000809578880 632105102 /nfs/dbraw/zinc/10/51/02/632105102.db2.gz SZFXESWUXPOQKP-NUEKZKHPSA-N 0 3 274.364 2.018 20 30 CEEDHN C#Cc1ccc(CNCc2ccc(OC)nc2)cc1 ZINC000809604810 632108592 /nfs/dbraw/zinc/10/85/92/632108592.db2.gz PPHXGLXJHXNGGX-UHFFFAOYSA-N 0 3 252.317 2.361 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3ccncc3c2)C1 ZINC000989648883 632218034 /nfs/dbraw/zinc/21/80/34/632218034.db2.gz AHRQVVTVWGEPAI-DYVFJYSZSA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC000989686292 632224628 /nfs/dbraw/zinc/22/46/28/632224628.db2.gz MVKQREMTFCKXKS-KSSFIOAISA-N 0 3 294.398 2.472 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc(C(F)F)c2)C1 ZINC000989695702 632224951 /nfs/dbraw/zinc/22/49/51/632224951.db2.gz CQVJKAHXQPIJKS-FZMZJTMJSA-N 0 3 292.329 2.450 20 30 CEEDHN CC(=O)N[C@@]12CCC[C@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC000989869437 632259553 /nfs/dbraw/zinc/25/95/53/632259553.db2.gz AZXCYWUSUWOBLG-IAGOWNOFSA-N 0 3 283.375 2.191 20 30 CEEDHN C=CCCCCCN(C)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925325812 632275273 /nfs/dbraw/zinc/27/52/73/632275273.db2.gz SMDBMUWMGXSCPR-KGLIPLIRSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)C(C)(C)F)CCC[C@H]12 ZINC000989901394 632276509 /nfs/dbraw/zinc/27/65/09/632276509.db2.gz YPYNQIVBTLAFTB-SMDDNHRTSA-N 0 3 254.349 2.034 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3ccsc3)CCC[C@@H]12 ZINC000989927482 632283861 /nfs/dbraw/zinc/28/38/61/632283861.db2.gz AECOEJRLMRQKOF-ZBFHGGJFSA-N 0 3 288.416 2.037 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(C)n3C)CCC[C@@H]12 ZINC000989935850 632285244 /nfs/dbraw/zinc/28/52/44/632285244.db2.gz MONFCZMWYRRGQW-NVXWUHKLSA-N 0 3 287.407 2.246 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ncoc3CC)CCC[C@H]12 ZINC000990058843 632307135 /nfs/dbraw/zinc/30/71/35/632307135.db2.gz WKOLBGIGQCXPSY-BBRMVZONSA-N 0 3 289.379 2.150 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(F)nc3)CCC[C@H]12 ZINC000990044323 632307592 /nfs/dbraw/zinc/30/75/92/632307592.db2.gz WOVUSHXEQDRPRN-XJKSGUPXSA-N 0 3 289.354 2.134 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)C3CC(F)(F)C3)CCC[C@H]12 ZINC000990121576 632317021 /nfs/dbraw/zinc/31/70/21/632317021.db2.gz PVQDAEWNMRJUGL-GXTWGEPZSA-N 0 3 284.350 2.331 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3csnc3C)CCC[C@H]12 ZINC000990291622 632334552 /nfs/dbraw/zinc/33/45/52/632334552.db2.gz ZZGVEOQULRXTRI-DZGCQCFKSA-N 0 3 291.420 2.364 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)C3CC(C)(C)C3)CCC[C@H]12 ZINC000990546373 632380493 /nfs/dbraw/zinc/38/04/93/632380493.db2.gz QZXJSUSWYXQNEQ-YOEHRIQHSA-N 0 3 274.408 2.169 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccncc3C)CCC[C@@H]12 ZINC000990548496 632381135 /nfs/dbraw/zinc/38/11/35/632381135.db2.gz WARSJAGUGAEFJJ-NVXWUHKLSA-N 0 3 285.391 2.303 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)C[C@@H](C)C(C)(C)C ZINC000873024289 632391674 /nfs/dbraw/zinc/39/16/74/632391674.db2.gz MVTGRVQPRNPTPY-CQSZACIVSA-N 0 3 281.444 2.265 20 30 CEEDHN CC(C)(C)c1ccc2[nH]cc(C=NNC(=N)N)c2c1 ZINC000811638217 632410855 /nfs/dbraw/zinc/41/08/55/632410855.db2.gz JYLAAQOKDROTHR-UHFFFAOYSA-N 0 3 257.341 2.282 20 30 CEEDHN CCOCCOCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000927086700 632454907 /nfs/dbraw/zinc/45/49/07/632454907.db2.gz HVFCHHFXFQROSD-LBPRGKRZSA-N 0 3 280.343 2.401 20 30 CEEDHN C=C1CN(C(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000898702943 632580003 /nfs/dbraw/zinc/58/00/03/632580003.db2.gz GNTQSXUJZMWLCM-HNNXBMFYSA-N 0 3 274.364 2.133 20 30 CEEDHN CC1/C(=C\c2cccc3c2OCC3)C(=O)c2ncnn21 ZINC000899382343 632815501 /nfs/dbraw/zinc/81/55/01/632815501.db2.gz ZKRLTLPVANTRFE-SZUMLMDFSA-N 0 3 267.288 2.054 20 30 CEEDHN C[C@@H](CNC(=O)c1cscc1C#N)N1CCCCC1 ZINC000814588766 632867945 /nfs/dbraw/zinc/86/79/45/632867945.db2.gz FSQJEFGDOIZQRU-NSHDSACASA-N 0 3 277.393 2.224 20 30 CEEDHN C=CCOCCN(C)Cc1ccc(OC)c(F)c1 ZINC000815010748 632949593 /nfs/dbraw/zinc/94/95/93/632949593.db2.gz YHBKNHHEFBHKMS-UHFFFAOYSA-N 0 3 253.317 2.469 20 30 CEEDHN C#CCN1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C ZINC000817294789 633622377 /nfs/dbraw/zinc/62/23/77/633622377.db2.gz TZMQQOPLMVWYPC-IHRRRGAJSA-N 0 3 280.412 2.491 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN[C@@H]2CCCC[C@H]2F)cc1 ZINC000819370104 634159486 /nfs/dbraw/zinc/15/94/86/634159486.db2.gz PTKRKAABJXCBOX-KFWWJZLASA-N 0 3 262.328 2.462 20 30 CEEDHN OCCN1CCC(N=Nc2cccc3ncccc23)CC1 ZINC000819806689 634268421 /nfs/dbraw/zinc/26/84/21/634268421.db2.gz XPWVHRUKDOJSJM-UHFFFAOYSA-N 0 3 284.363 2.091 20 30 CEEDHN C#CCN(C(=O)Nc1nc(C)cs1)C1CCN(C)CC1 ZINC000902986268 634919606 /nfs/dbraw/zinc/91/96/06/634919606.db2.gz UYKISTBNFNAGTM-UHFFFAOYSA-N 0 3 292.408 2.013 20 30 CEEDHN CCCCCCCN1CCC(NS(=O)(=O)CC)CC1 ZINC000903007319 634937000 /nfs/dbraw/zinc/93/70/00/634937000.db2.gz ZIRJNZQAGIRPES-UHFFFAOYSA-N 0 3 290.473 2.361 20 30 CEEDHN CCCn1cc([C@@H](C)NCCc2ccc(C#N)cc2)nn1 ZINC000903046823 634954115 /nfs/dbraw/zinc/95/41/15/634954115.db2.gz BIWJLCMOGCKQFD-CYBMUJFWSA-N 0 3 283.379 2.453 20 30 CEEDHN CC(C)N1CCC[C@@H]1C(=O)NCC1(C#N)CCCC1 ZINC000823852525 635290608 /nfs/dbraw/zinc/29/06/08/635290608.db2.gz URTCMJQFYNCHTP-CYBMUJFWSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@@H]([NH2+]CCC(C)(C)C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824585770 635457728 /nfs/dbraw/zinc/45/77/28/635457728.db2.gz SYRQUNPAJZUHGF-LLVKDONJSA-N 0 3 284.367 2.457 20 30 CEEDHN C[C@@H]([NH2+]CCC(C)(C)C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824585770 635457730 /nfs/dbraw/zinc/45/77/30/635457730.db2.gz SYRQUNPAJZUHGF-LLVKDONJSA-N 0 3 284.367 2.457 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(C)nc(Cl)c1 ZINC000824862081 635515312 /nfs/dbraw/zinc/51/53/12/635515312.db2.gz VMALBUAHQXOTQB-NEPJUHHUSA-N 0 3 252.745 2.477 20 30 CEEDHN COc1cc(C)c(/C=C2\C(=O)c3ncnn3C2C)cc1OC ZINC000905081477 635797536 /nfs/dbraw/zinc/79/75/36/635797536.db2.gz QYRNJPNKUPLMKO-GWHHBTOMSA-N 0 3 299.330 2.445 20 30 CEEDHN C#Cc1ccc(CNC[C@](O)(CC)C(F)(F)F)cc1 ZINC000905274778 636203070 /nfs/dbraw/zinc/20/30/70/636203070.db2.gz RVKLYSVTRIHRCU-CYBMUJFWSA-N 0 3 271.282 2.461 20 30 CEEDHN C[C@H]1CC(NC(=O)[C@@H]2CCCCN2C2CCCC2)=NO1 ZINC000827497629 636336504 /nfs/dbraw/zinc/33/65/04/636336504.db2.gz YCIARDNGCXUWKR-AAEUAGOBSA-N 0 3 279.384 2.022 20 30 CEEDHN C#C[C@@H](NCc1ccnn1CC(C)C)C1CCOCC1 ZINC000827555081 636351446 /nfs/dbraw/zinc/35/14/46/636351446.db2.gz NFXPFGWQCCVGOJ-MRXNPFEDSA-N 0 3 275.396 2.057 20 30 CEEDHN C#C[C@H](NCc1cc2cccnc2o1)C1CCOCC1 ZINC000827559225 636353643 /nfs/dbraw/zinc/35/36/43/636353643.db2.gz CUFQZJTVIVBQNK-HNNXBMFYSA-N 0 3 270.332 2.346 20 30 CEEDHN C#C[C@@H](NCc1ccc(OC)c(F)c1)C1CCOCC1 ZINC000827570149 636356990 /nfs/dbraw/zinc/35/69/90/636356990.db2.gz IRCHDVPGQYRTDA-OAHLLOKOSA-N 0 3 277.339 2.352 20 30 CEEDHN C#C[C@H](NCCc1c(F)cccc1F)[C@@H]1CCCO1 ZINC000828307676 636566660 /nfs/dbraw/zinc/56/66/60/636566660.db2.gz UXXNYMVKKVFZJL-GJZGRUSLSA-N 0 3 265.303 2.278 20 30 CEEDHN C[C@H](NCC(=O)NCCC#N)c1cccc(C2CC2)c1 ZINC000830184394 637002360 /nfs/dbraw/zinc/00/23/60/637002360.db2.gz CIZKRLDCFHRMIZ-LBPRGKRZSA-N 0 3 271.364 2.244 20 30 CEEDHN C#CC1CCN([C@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000830311827 637032147 /nfs/dbraw/zinc/03/21/47/637032147.db2.gz WNXFWZJXFRYDCN-OAHLLOKOSA-N 0 3 284.403 2.379 20 30 CEEDHN C#CC1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000830345695 637042886 /nfs/dbraw/zinc/04/28/86/637042886.db2.gz NOIFYJRORYEPOC-UHFFFAOYSA-N 0 3 267.266 2.249 20 30 CEEDHN C=CCN1CCC(NC(=O)OC2CCCC2)CC1 ZINC000830410303 637063420 /nfs/dbraw/zinc/06/34/20/637063420.db2.gz YMOADJAVTPIWKL-UHFFFAOYSA-N 0 3 252.358 2.306 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cncc(C(F)F)c2)CC1 ZINC000830756268 637149416 /nfs/dbraw/zinc/14/94/16/637149416.db2.gz CEQJUBMPIMTIAB-UHFFFAOYSA-N 0 3 293.317 2.303 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2ccccc2C1 ZINC000876544334 650315335 /nfs/dbraw/zinc/31/53/35/650315335.db2.gz RNJAWKJBLVWHJX-ZDUSSCGKSA-N 0 3 264.756 2.041 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(CCOC)Cc1ccccc1 ZINC000876553622 650322953 /nfs/dbraw/zinc/32/29/53/650322953.db2.gz WEWWDSGYTLRYFC-AWEZNQCLSA-N 0 3 296.798 2.132 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(Cl)cc1 ZINC000876549786 650320653 /nfs/dbraw/zinc/32/06/53/650320653.db2.gz VNDSYUCBHVGTRV-GFCCVEGCSA-N 0 3 287.190 2.469 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCCCc1ccccc1 ZINC000908436211 637343700 /nfs/dbraw/zinc/34/37/00/637343700.db2.gz DWBXHDOUEVXYOQ-UHFFFAOYSA-N 0 3 286.419 2.471 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000876594659 650350888 /nfs/dbraw/zinc/35/08/88/650350888.db2.gz TWLVPBCAWSFNEX-NSHDSACASA-N 0 3 297.742 2.023 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccccc1OCC ZINC000876644667 650372845 /nfs/dbraw/zinc/37/28/45/650372845.db2.gz DCQTXJPTSCJNRD-CYBMUJFWSA-N 0 3 296.798 2.214 20 30 CEEDHN COCCCN(C)Cc1cc(C#N)ccc1N(C)C ZINC000876644840 650373154 /nfs/dbraw/zinc/37/31/54/650373154.db2.gz JWVOKBWODAMKSS-UHFFFAOYSA-N 0 3 261.369 2.093 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCc1cccc(F)c1 ZINC000876652771 650377070 /nfs/dbraw/zinc/37/70/70/650377070.db2.gz SNHDLHFSWVICNC-ZDUSSCGKSA-N 0 3 284.762 2.344 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@H](N)CC(=C)Cl ZINC000876658425 650382418 /nfs/dbraw/zinc/38/24/18/650382418.db2.gz WCFOWQWBTTXZLE-CYBMUJFWSA-N 0 3 294.782 2.338 20 30 CEEDHN C=CCON=Cc1ccc(N(CC)CCO)cc1C ZINC000835015061 638022939 /nfs/dbraw/zinc/02/29/39/638022939.db2.gz DVPHACUWXDDFDY-UHFFFAOYSA-N 0 3 262.353 2.350 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC000876682436 650397285 /nfs/dbraw/zinc/39/72/85/650397285.db2.gz IDWFCIFRGNUTEZ-GXSJLCMTSA-N 0 3 298.745 2.410 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000876683900 650397729 /nfs/dbraw/zinc/39/77/29/650397729.db2.gz YRCUULUEFLVEFT-RDBSUJKOSA-N 0 3 278.783 2.204 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000876686913 650399264 /nfs/dbraw/zinc/39/92/64/650399264.db2.gz BXMDWLYDIWFKCH-SRVKXCTJSA-N 0 3 288.844 2.343 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(CCOCC)CCC1 ZINC000876701894 650405479 /nfs/dbraw/zinc/40/54/79/650405479.db2.gz FWPSKWWVGFBFNC-LBPRGKRZSA-N 0 3 288.819 2.169 20 30 CEEDHN C#CCO[C@@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000835456221 638263063 /nfs/dbraw/zinc/26/30/63/638263063.db2.gz SFPXVMMASWJXKW-ONGXEEELSA-N 0 3 296.248 2.315 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000876706308 650407028 /nfs/dbraw/zinc/40/70/28/650407028.db2.gz NRPFBFWGYUTNDO-LLVKDONJSA-N 0 3 298.818 2.417 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)c1ccncc1 ZINC000876762285 650423571 /nfs/dbraw/zinc/42/35/71/650423571.db2.gz FFMAWJRGDDIGFV-NEPJUHHUSA-N 0 3 267.760 2.119 20 30 CEEDHN CCC1(O)CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876764800 650424722 /nfs/dbraw/zinc/42/47/22/650424722.db2.gz RPRYCIGTRDOMPA-UHFFFAOYSA-N 0 3 287.407 2.361 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCc1ccccc1OC ZINC000912057523 638526501 /nfs/dbraw/zinc/52/65/01/638526501.db2.gz GYTGBVHXIINPQX-AWEZNQCLSA-N 0 3 276.380 2.038 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ncc(C)s1 ZINC000876776853 650428086 /nfs/dbraw/zinc/42/80/86/650428086.db2.gz HNNLJNRVKOFKCV-BDAKNGLRSA-N 0 3 273.789 2.099 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCc1cccs1 ZINC000912068897 638547353 /nfs/dbraw/zinc/54/73/53/638547353.db2.gz SAOWHBFFWDRHME-LBPRGKRZSA-N 0 3 252.383 2.090 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000912182500 638599675 /nfs/dbraw/zinc/59/96/75/638599675.db2.gz IKJQCANEPNMNOA-MRXNPFEDSA-N 0 3 298.390 2.172 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000836324906 638600532 /nfs/dbraw/zinc/60/05/32/638600532.db2.gz PUDMXIICFAJBCV-HZPDHXFCSA-N 0 3 291.439 2.210 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000836324902 638600690 /nfs/dbraw/zinc/60/06/90/638600690.db2.gz PUDMXIICFAJBCV-CVEARBPZSA-N 0 3 291.439 2.210 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCC1(C)CCCCC1 ZINC000836356503 638609385 /nfs/dbraw/zinc/60/93/85/638609385.db2.gz CHXONPDZCXBIDU-UHFFFAOYSA-N 0 3 279.428 2.211 20 30 CEEDHN CCCN1CC[C@H](NC(=O)[C@]2(C#N)CC3CCC2CC3)C1 ZINC000912684452 638758673 /nfs/dbraw/zinc/75/86/73/638758673.db2.gz WUACAERECDHDAZ-NDTCATRNSA-N 0 3 289.423 2.307 20 30 CEEDHN CC(C)(C)C#CC(=O)NC[C@H]1NCCc2ccccc21 ZINC000876846468 650457270 /nfs/dbraw/zinc/45/72/70/650457270.db2.gz RJYQENVSOUKPFY-OAHLLOKOSA-N 0 3 270.376 2.039 20 30 CEEDHN CC[C@@H]1CN(C(=O)c2cc(C)c(C#N)c(C)c2)C[C@H](C)N1 ZINC000912731007 639007933 /nfs/dbraw/zinc/00/79/33/639007933.db2.gz IPIBXKZGSDULGJ-DZGCQCFKSA-N 0 3 285.391 2.388 20 30 CEEDHN C#Cc1cccc(CNC(=O)[C@@H]2CCCN2CCC)c1 ZINC000837105329 639053569 /nfs/dbraw/zinc/05/35/69/639053569.db2.gz AWTDOXWBPJLMLX-INIZCTEOSA-N 0 3 270.376 2.159 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)c1cccnc1 ZINC000876876812 650468712 /nfs/dbraw/zinc/46/87/12/650468712.db2.gz VHFAYXAQISMKQZ-CMPLNLGQSA-N 0 3 267.760 2.071 20 30 CEEDHN Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912904209 639100673 /nfs/dbraw/zinc/10/06/73/639100673.db2.gz SEBIEZKDKWLVFQ-MRXNPFEDSA-N 0 3 297.402 2.024 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)Cc3ccccc3)CCC[C@H]12 ZINC000991420054 639152535 /nfs/dbraw/zinc/15/25/35/639152535.db2.gz ZMHCSTUQYITVTO-HKUYNNGSSA-N 0 3 296.414 2.366 20 30 CEEDHN CN(C)Cc1ccccc1CNC(=O)C#CC(C)(C)C ZINC000837318015 639182991 /nfs/dbraw/zinc/18/29/91/639182991.db2.gz OFOFMZCLIGRBTD-UHFFFAOYSA-N 0 3 272.392 2.414 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)CCc1nccs1 ZINC000876889645 650475670 /nfs/dbraw/zinc/47/56/70/650475670.db2.gz PTQHQMCZUHXBEH-JTQLQIEISA-N 0 3 287.816 2.004 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C#CC1CC1 ZINC000837513740 639261631 /nfs/dbraw/zinc/26/16/31/639261631.db2.gz DZJUAXJIBNGNJS-CQSZACIVSA-N 0 3 270.376 2.037 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)CC3CC(F)(F)C3)CCC[C@@H]12 ZINC000991448318 639262529 /nfs/dbraw/zinc/26/25/29/639262529.db2.gz QUSRNWVCTJGALR-HIFRSBDPSA-N 0 3 296.361 2.168 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)C1CCC(C)CC1 ZINC000876560991 639300668 /nfs/dbraw/zinc/30/06/68/639300668.db2.gz ILYJSCOHPCEIBP-NHNAUAITSA-N 0 3 258.793 2.493 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1coc(C#N)c1 ZINC000867233246 639324726 /nfs/dbraw/zinc/32/47/26/639324726.db2.gz PGDDTMPKPMLSHA-CYBMUJFWSA-N 0 3 297.358 2.402 20 30 CEEDHN C#CCCCC(=O)OCCN(C)Cc1ccccc1 ZINC000837669367 639335477 /nfs/dbraw/zinc/33/54/77/639335477.db2.gz CUPXOYRGOTUDSH-UHFFFAOYSA-N 0 3 259.349 2.465 20 30 CEEDHN C=CC[C@H](Cc1ccccc1)NCc1cnn(C)n1 ZINC000840971913 639605721 /nfs/dbraw/zinc/60/57/21/639605721.db2.gz UVZNKPUYWVUXIU-CQSZACIVSA-N 0 3 256.353 2.092 20 30 CEEDHN C=CCN1CCC(NC(=O)COC2CCCCC2)CC1 ZINC000171718002 639727214 /nfs/dbraw/zinc/72/72/14/639727214.db2.gz UGZPPTOJIAFYSE-UHFFFAOYSA-N 0 3 280.412 2.102 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(NC)cc1 ZINC000877019097 650532989 /nfs/dbraw/zinc/53/29/89/650532989.db2.gz GKIMMWNCDCALAQ-LLVKDONJSA-N 0 3 253.733 2.137 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000841900995 639902246 /nfs/dbraw/zinc/90/22/46/639902246.db2.gz DJKGJIXEOMSQAY-HLLBOEOZSA-N 0 3 299.418 2.013 20 30 CEEDHN C#CCNC(=O)CN(Cc1ccccc1)[C@H](C)C1CC1 ZINC000029842770 639967592 /nfs/dbraw/zinc/96/75/92/639967592.db2.gz XPVLVVABYOHCSF-CQSZACIVSA-N 0 3 270.376 2.037 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3csc(C)n3)CCC[C@@H]12 ZINC000992137692 639970648 /nfs/dbraw/zinc/97/06/48/639970648.db2.gz OVTJYFGFYBAYGE-HIFRSBDPSA-N 0 3 291.420 2.364 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)c3cc[nH]c3C(C)C)CCC[C@@H]12 ZINC000992149901 639974456 /nfs/dbraw/zinc/97/44/56/639974456.db2.gz OKAKSBSTOZIZLU-QAPCUYQASA-N 0 3 299.418 2.498 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)C3CCC(F)CC3)CCC[C@H]12 ZINC000992152862 639974839 /nfs/dbraw/zinc/97/48/39/639974839.db2.gz NTQGSQXYKUFDNC-NDTCATRNSA-N 0 3 292.398 2.261 20 30 CEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3conc3C)CCC[C@H]12 ZINC000992165204 639979021 /nfs/dbraw/zinc/97/90/21/639979021.db2.gz ZTGQKICUVNMEQW-GOEBONIOSA-N 0 3 289.379 2.286 20 30 CEEDHN C[C@H](NCc1cccc(C#N)n1)[C@H](O)c1ccc(F)cc1 ZINC000877035135 650541327 /nfs/dbraw/zinc/54/13/27/650541327.db2.gz UJBVPKNFFZJDTD-ZBEGNZNMSA-N 0 3 285.322 2.304 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccnc(C)c3)CCC[C@H]12 ZINC000992360549 640032990 /nfs/dbraw/zinc/03/29/90/640032990.db2.gz HGJKZXILLHNXMU-DOTOQJQBSA-N 0 3 285.391 2.303 20 30 CEEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2CCC[C@H](O)C2)c1 ZINC000877059444 650553504 /nfs/dbraw/zinc/55/35/04/650553504.db2.gz WASVBUMHCBCQGO-MFKMUULPSA-N 0 3 279.771 2.247 20 30 CEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C2(F)CC2)cc1 ZINC000842685695 640149640 /nfs/dbraw/zinc/14/96/40/640149640.db2.gz HIAADJKOTHLYGZ-GFCCVEGCSA-N 0 3 274.295 2.398 20 30 CEEDHN CCCc1ccc(CCCC(=O)C(C#N)C(=O)NC)cc1 ZINC000842687995 640150423 /nfs/dbraw/zinc/15/04/23/640150423.db2.gz GGDTWLURXMABEL-OAHLLOKOSA-N 0 3 286.375 2.417 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccccc2)[C@H]1C ZINC000992983407 640393470 /nfs/dbraw/zinc/39/34/70/640393470.db2.gz PIEHEANOBVNORJ-ZBFHGGJFSA-N 0 3 270.376 2.293 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2F)[C@@H]1C ZINC000992987698 640397115 /nfs/dbraw/zinc/39/71/15/640397115.db2.gz QJJSNWWQLIDMGW-XJKSGUPXSA-N 0 3 288.366 2.432 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C)no2)[C@@H]1C ZINC000993032431 640408871 /nfs/dbraw/zinc/40/88/71/640408871.db2.gz RJPAINSDUWSLIO-STQMWFEESA-N 0 3 277.368 2.142 20 30 CEEDHN N#Cc1cnn2cc(CN3CCC4(CCCC4)C3)cnc12 ZINC000843397718 640416335 /nfs/dbraw/zinc/41/63/35/640416335.db2.gz XWVMSNNFRIBLRW-UHFFFAOYSA-N 0 3 281.363 2.367 20 30 CEEDHN C#CC[C@@H]1CCCN(Cc2ccnn2CCCOC)C1 ZINC000843424277 640424283 /nfs/dbraw/zinc/42/42/83/640424283.db2.gz XQCOPLJHNPSQEJ-OAHLLOKOSA-N 0 3 275.396 2.155 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCCC12CC2 ZINC000877118122 650580982 /nfs/dbraw/zinc/58/09/82/650580982.db2.gz NGAMLXXRHRXQFP-QWRGUYRKSA-N 0 3 256.777 2.153 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnn(CC)c2)[C@@H]1C ZINC000993166939 640500171 /nfs/dbraw/zinc/50/01/71/640500171.db2.gz DFGKOSMGLIVASM-DZGCQCFKSA-N 0 3 290.411 2.062 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cccnc2)[C@@H]1C ZINC000993205933 640548146 /nfs/dbraw/zinc/54/81/46/640548146.db2.gz IKYLZURECJVQAP-GOEBONIOSA-N 0 3 287.407 2.169 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2ccc(C)o2)[C@@H]1C ZINC000993234776 640565713 /nfs/dbraw/zinc/56/57/13/640565713.db2.gz NGUJPUNWKBWBQC-GOEBONIOSA-N 0 3 288.391 2.123 20 30 CEEDHN C#C[C@H](NC(=O)[C@H](C(C)C)N(C)C)c1ccccc1 ZINC000843968058 640567421 /nfs/dbraw/zinc/56/74/21/640567421.db2.gz RWUCZUMKJJPSIK-GJZGRUSLSA-N 0 3 258.365 2.063 20 30 CEEDHN CCCCCCCC(=O)NC[C@H](C)N1CCN(CC)CC1 ZINC000915629814 640593349 /nfs/dbraw/zinc/59/33/49/640593349.db2.gz KEXPPHBHBKVXET-INIZCTEOSA-N 0 3 297.487 2.489 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2conc2C)[C@H]1C ZINC000993761936 640676122 /nfs/dbraw/zinc/67/61/22/640676122.db2.gz PLONCSLMPOAXHF-OCCSQVGLSA-N 0 3 277.368 2.142 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C2(C)CC(=C)C2)[C@H]1C ZINC000993795472 640681018 /nfs/dbraw/zinc/68/10/18/640681018.db2.gz XSDAUVOOXSQRJQ-CABCVRRESA-N 0 3 274.408 2.335 20 30 CEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2cccnc2C)[C@H]1C ZINC000993825833 640681768 /nfs/dbraw/zinc/68/17/68/640681768.db2.gz FBJMNMFXJUWVAP-GDBMZVCRSA-N 0 3 287.407 2.088 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)[nH]c2C)[C@H]1C ZINC000993901760 640685066 /nfs/dbraw/zinc/68/50/66/640685066.db2.gz KYYDZZWERPKSOO-GDBMZVCRSA-N 0 3 287.407 2.238 20 30 CEEDHN C=CCN1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](OCC)C1 ZINC000844409770 640712771 /nfs/dbraw/zinc/71/27/71/640712771.db2.gz PVXKFGBQGUAZIR-CHWSQXEVSA-N 0 3 284.400 2.034 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(Cl)no2)[C@H]1C ZINC000994266983 640794304 /nfs/dbraw/zinc/79/43/04/640794304.db2.gz WOMCYXMHMKSKOP-GHMZBOCLSA-N 0 3 297.786 2.487 20 30 CEEDHN C=CCN1CCC[C@H](NC(=O)c2c[nH]c3ncccc23)[C@H]1C ZINC000994453869 640841448 /nfs/dbraw/zinc/84/14/48/640841448.db2.gz RHTSLXUCDGDDAZ-DOMZBBRYSA-N 0 3 298.390 2.332 20 30 CEEDHN CCCCSCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000917509022 640892067 /nfs/dbraw/zinc/89/20/67/640892067.db2.gz IQRSHYVRRHITHL-LLVKDONJSA-N 0 3 291.376 2.262 20 30 CEEDHN C=CCN(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000154795802 640983548 /nfs/dbraw/zinc/98/35/48/640983548.db2.gz XNSXBJOBWRMOPQ-UHFFFAOYSA-N 0 3 264.344 2.280 20 30 CEEDHN C=C[C@@H](C)ONC(=O)N(CCC)CCN1CCCC1 ZINC000845616172 641020302 /nfs/dbraw/zinc/02/03/02/641020302.db2.gz HKOIHSJRZBVZJA-CYBMUJFWSA-N 0 3 269.389 2.010 20 30 CEEDHN C=C[C@@H](C)ONC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000845641550 641034841 /nfs/dbraw/zinc/03/48/41/641034841.db2.gz JTQOYQWWVFMXPA-UKRRQHHQSA-N 0 3 291.395 2.403 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OC)c(COC)c1 ZINC000877220566 650630245 /nfs/dbraw/zinc/63/02/45/650630245.db2.gz HRPFFNMMVDBGGP-GFCCVEGCSA-N 0 3 298.770 2.250 20 30 CEEDHN COC[C@H](CC(C)(C)C)NCc1ccc(C#N)cn1 ZINC000845959025 641138452 /nfs/dbraw/zinc/13/84/52/641138452.db2.gz JDOQSEAIHWMJLY-AWEZNQCLSA-N 0 3 261.369 2.494 20 30 CEEDHN C=C(C)CO[N-]C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000846538393 641329860 /nfs/dbraw/zinc/32/98/60/641329860.db2.gz WASMNMDEKUUYIA-ZDUSSCGKSA-N 0 3 266.385 2.265 20 30 CEEDHN C=C(C)CO[N-]C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000846538393 641329866 /nfs/dbraw/zinc/32/98/66/641329866.db2.gz WASMNMDEKUUYIA-ZDUSSCGKSA-N 0 3 266.385 2.265 20 30 CEEDHN C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)C[C@H](C)S1 ZINC000070383255 641661459 /nfs/dbraw/zinc/66/14/59/641661459.db2.gz CUNLTQUEZQYYPV-ZOWXZIJZSA-N 0 3 276.405 2.417 20 30 CEEDHN 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CEEDHN N#CCCCNCc1ccc(C(=O)N2CCCC2)cc1 ZINC000865525935 647340384 /nfs/dbraw/zinc/34/03/84/647340384.db2.gz JCOMSJVNVRITDJ-UHFFFAOYSA-N 0 3 271.364 2.316 20 30 CEEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccc2n[nH]cc2c1 ZINC000779812451 647360553 /nfs/dbraw/zinc/36/05/53/647360553.db2.gz SLLPSYMBSIOYQD-JTQLQIEISA-N 0 3 269.352 2.445 20 30 CEEDHN CC(C)CN(C(=O)c1coc(C#N)c1)C1CCN(C)CC1 ZINC000865810958 647473976 /nfs/dbraw/zinc/47/39/76/647473976.db2.gz WVOWDJXKQNXXEX-UHFFFAOYSA-N 0 3 289.379 2.344 20 30 CEEDHN CC1(C)CN(Cc2ccc(OCC#N)cc2)CC[C@@H]1O ZINC000782577310 647637428 /nfs/dbraw/zinc/63/74/28/647637428.db2.gz AGGJGVGQNAUOBM-HNNXBMFYSA-N 0 3 274.364 2.182 20 30 CEEDHN C[C@@H]1C[C@@H](C(=O)C(C#N)C(=O)Nc2ccccc2)CCC1=O ZINC000783349258 647709369 /nfs/dbraw/zinc/70/93/69/647709369.db2.gz DRVXSMFSJVOJMC-MBNYWOFBSA-N 0 3 298.342 2.339 20 30 CEEDHN C#CCOc1ccc(CN2CCOCC3(CC3)C2)cc1 ZINC000783598897 647735451 /nfs/dbraw/zinc/73/54/51/647735451.db2.gz DPZOEUDOOFWSKH-UHFFFAOYSA-N 0 3 271.360 2.311 20 30 CEEDHN C=CCOc1cccc(CN2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000783732708 647753333 /nfs/dbraw/zinc/75/33/33/647753333.db2.gz DXRYCRZCRQKSAU-GOEBONIOSA-N 0 3 259.349 2.066 20 30 CEEDHN C=CCOc1ccccc1CN1C[C@@H]2C[C@]2(CO)C1 ZINC000783733117 647754210 /nfs/dbraw/zinc/75/42/10/647754210.db2.gz HBBHTPZNTBGEGP-GOEBONIOSA-N 0 3 259.349 2.066 20 30 CEEDHN C[C@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1nccn1C ZINC000866617673 647844192 /nfs/dbraw/zinc/84/41/92/647844192.db2.gz NHOHHAAAZZLMFW-NHYWBVRUSA-N 0 3 266.348 2.110 20 30 CEEDHN C[C@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1nccn1C ZINC000866617674 647844265 /nfs/dbraw/zinc/84/42/65/647844265.db2.gz NHOHHAAAZZLMFW-XHDPSFHLSA-N 0 3 266.348 2.110 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)Cc1ccccc1F ZINC000121767735 647952688 /nfs/dbraw/zinc/95/26/88/647952688.db2.gz WNMFEDPAWFHAHA-YPMHNXCESA-N 0 3 290.338 2.238 20 30 CEEDHN C[C@H]1C[C@@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787074988 648070867 /nfs/dbraw/zinc/07/08/67/648070867.db2.gz UEKKYRQAPKDXIY-FPMFFAJLSA-N 0 3 270.332 2.010 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C\CCc1ccccc1 ZINC000868582031 648181607 /nfs/dbraw/zinc/18/16/07/648181607.db2.gz QIPKZZMRKNDCMN-JYRVWZFOSA-N 0 3 284.403 2.247 20 30 CEEDHN C1C[C@H](NN=C2CCCC[C@@H]2N2CCCCC2)CO1 ZINC000788440390 648184896 /nfs/dbraw/zinc/18/48/96/648184896.db2.gz SPDIWJWFUJJUTD-ZFWWWQNUSA-N 0 3 265.401 2.149 20 30 CEEDHN CC(=NN[C@@H](CO)c1ccccc1)c1ccc(N)cc1 ZINC000788462417 648190575 /nfs/dbraw/zinc/19/05/75/648190575.db2.gz XGNFJTDVJAZVIA-INIZCTEOSA-N 0 3 269.348 2.316 20 30 CEEDHN C[C@H]1CC(N=Nc2ccc3c(cc[nH]c3=O)c2)CN1C ZINC000789070728 648253961 /nfs/dbraw/zinc/25/39/61/648253961.db2.gz KLFVDFUHJSBGJS-JTQLQIEISA-N 0 3 270.336 2.020 20 30 CEEDHN CC(C)(CC#N)COC(=O)C1CCN(C2CC2)CC1 ZINC000805920749 648401701 /nfs/dbraw/zinc/40/17/01/648401701.db2.gz OABKVQVGTVVAME-UHFFFAOYSA-N 0 3 264.369 2.344 20 30 CEEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000871187601 649027292 /nfs/dbraw/zinc/02/72/92/649027292.db2.gz HALPFIKTZZWQPZ-KRWDZBQOSA-N 0 3 284.403 2.489 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)CCOCC1 ZINC000874825795 649842494 /nfs/dbraw/zinc/84/24/94/649842494.db2.gz RBEABODAKCWYBS-CABCVRRESA-N 0 3 292.423 2.054 20 30 CEEDHN CCc1ccc(C#CC(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cc1 ZINC000874826347 649842975 /nfs/dbraw/zinc/84/29/75/649842975.db2.gz NIQZVICJHSBNCM-MSOLQXFVSA-N 0 3 296.414 2.296 20 30 CEEDHN C#CCCCCCN1CCCN(CCC)C(=O)C1 ZINC000878495129 651112849 /nfs/dbraw/zinc/11/28/49/651112849.db2.gz NRPWGMMFGJJJNX-UHFFFAOYSA-N 0 3 250.386 2.124 20 30 CEEDHN Cn1ccnc1[C@@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000878518302 651119032 /nfs/dbraw/zinc/11/90/32/651119032.db2.gz KFDADAYTLZUARM-CYBMUJFWSA-N 0 3 258.369 2.293 20 30 CEEDHN C=CC[C@@H](C)N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000878524160 651120250 /nfs/dbraw/zinc/12/02/50/651120250.db2.gz NVFJBVIDBTZIIG-ZIAGYGMSSA-N 0 3 265.401 2.029 20 30 CEEDHN C#C[C@@](C)(CC)NCc1ccc2oc(=O)n(C)c2c1 ZINC000878660815 651155660 /nfs/dbraw/zinc/15/56/60/651155660.db2.gz NBPBCQBDMCENFQ-HNNXBMFYSA-N 0 3 258.321 2.023 20 30 CEEDHN C#CCCCCCN(C)Cc1ccc(C(=O)OC)cn1 ZINC000878755766 651179978 /nfs/dbraw/zinc/17/99/78/651179978.db2.gz LRLJJKDEFCARAH-UHFFFAOYSA-N 0 3 274.364 2.494 20 30 CEEDHN C[C@@H]1CN(CC[C@H](O)c2ccccc2)C[C@H](C)N1CC#N ZINC000878771890 651183011 /nfs/dbraw/zinc/18/30/11/651183011.db2.gz YVSLQERTPWASSC-UXLLHSPISA-N 0 3 287.407 2.028 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000878877041 651202323 /nfs/dbraw/zinc/20/23/23/651202323.db2.gz ATCWCLPZLQYGSC-HZPDHXFCSA-N 0 3 282.347 2.152 20 30 CEEDHN C#CCCCCCN[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000879021632 651229877 /nfs/dbraw/zinc/22/98/77/651229877.db2.gz VHTYOVUBGMDDSL-INIZCTEOSA-N 0 3 291.416 2.439 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC([C@@H](F)C(N)=O)CC1 ZINC000879045185 651234587 /nfs/dbraw/zinc/23/45/87/651234587.db2.gz WNTGNTVNVBWUQP-XHDPSFHLSA-N 0 3 289.354 2.155 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC(Cc2nccs2)CC1 ZINC000879208358 651260422 /nfs/dbraw/zinc/26/04/22/651260422.db2.gz UCZKFUISJIHZBL-LBPRGKRZSA-N 0 3 279.409 2.326 20 30 CEEDHN CCOC(=O)[C@@H]1CN(CCCCC#N)CCC1(F)F ZINC000879369946 651293184 /nfs/dbraw/zinc/29/31/84/651293184.db2.gz LRCFJQJMVCTQAG-NSHDSACASA-N 0 3 274.311 2.201 20 30 CEEDHN C#CCN1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC000879699685 651341325 /nfs/dbraw/zinc/34/13/25/651341325.db2.gz APQSFOLTKRJAJM-ZIAGYGMSSA-N 0 3 278.396 2.341 20 30 CEEDHN CC(C)CC(=O)N1CCCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000879761631 651348781 /nfs/dbraw/zinc/34/87/81/651348781.db2.gz OFCWBFWMKOLGMA-CABCVRRESA-N 0 3 277.412 2.259 20 30 CEEDHN C=CCC[C@@H](O)CN1CCc2cc(C(=O)OC)ccc2C1 ZINC000880349975 651427762 /nfs/dbraw/zinc/42/77/62/651427762.db2.gz LTWGJWQTVCQMDD-MRXNPFEDSA-N 0 3 289.375 2.158 20 30 CEEDHN C=C(CC)CN[C@]1(CO)CCc2c1cccc2OC ZINC000880384679 651434175 /nfs/dbraw/zinc/43/41/75/651434175.db2.gz SWUFMCVGUGOPDK-INIZCTEOSA-N 0 3 261.365 2.385 20 30 CEEDHN C=C(CC)CN[C@@]1(CO)CCc2c1cccc2OC ZINC000880384681 651434401 /nfs/dbraw/zinc/43/44/01/651434401.db2.gz SWUFMCVGUGOPDK-MRXNPFEDSA-N 0 3 261.365 2.385 20 30 CEEDHN C[C@@H](N)c1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000881359735 651697251 /nfs/dbraw/zinc/69/72/51/651697251.db2.gz SZNLNRYALKPOLE-LLVKDONJSA-N 0 3 269.352 2.147 20 30 CEEDHN C#CC[C@H]1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000888893380 651851886 /nfs/dbraw/zinc/85/18/86/651851886.db2.gz CBSCJFFIDDHKON-HOCLYGCPSA-N 0 3 289.423 2.058 20 30 CEEDHN CC[C@H](C)N1CCN(c2ccc(C)nc2C#N)CC1 ZINC000882427683 652066816 /nfs/dbraw/zinc/06/68/16/652066816.db2.gz AICHPYHBBRZXBB-ZDUSSCGKSA-N 0 3 258.369 2.182 20 30 CEEDHN C#Cc1ccc(CN[C@@H]2CCCC23OCCO3)cc1 ZINC000883177776 652390219 /nfs/dbraw/zinc/39/02/19/652390219.db2.gz IMBBSCVTPTYBLS-OAHLLOKOSA-N 0 3 257.333 2.053 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2ccnc(-c3ccccn3)n2)C1 ZINC000883294320 652426375 /nfs/dbraw/zinc/42/63/75/652426375.db2.gz WEWFIXDIXHVUPR-STQMWFEESA-N 0 3 279.347 2.320 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cc(F)c(OC)cc1OC ZINC000883399008 652456114 /nfs/dbraw/zinc/45/61/14/652456114.db2.gz ATJBLQNVVCPVRK-GFCCVEGCSA-N 0 3 283.343 2.260 20 30 CEEDHN C[C@@H]1Cc2ccccc2N1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884044160 652654157 /nfs/dbraw/zinc/65/41/57/652654157.db2.gz XCWMEQWAJWXXJE-JHSBQLIOSA-N 0 3 295.386 2.104 20 30 CEEDHN CCCC[C@@H](CC)CNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884043666 652654198 /nfs/dbraw/zinc/65/41/98/652654198.db2.gz FUDPJYFMPIOGBQ-GJEMEMOUSA-N 0 3 291.439 2.458 20 30 CEEDHN CCCCC[C@@H](C)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884047455 652658219 /nfs/dbraw/zinc/65/82/19/652658219.db2.gz VAGACOWKXMBVSW-RXFTYZNJSA-N 0 3 277.412 2.211 20 30 CEEDHN Cc1ccc(CN(C)C(=O)C2CC3(C2)CNC[C@H]3C#N)cc1 ZINC000884052677 652665170 /nfs/dbraw/zinc/66/51/70/652665170.db2.gz XKCKVKVNAAHZQJ-UPTPFMHGSA-N 0 3 297.402 2.093 20 30 CEEDHN Cc1ccc(N(C)C(=O)C2CC3(C2)CNC[C@H]3C#N)cc1 ZINC000884068594 652693477 /nfs/dbraw/zinc/69/34/77/652693477.db2.gz XHJCRVSOYLCGAA-XOYHFGRZSA-N 0 3 283.375 2.097 20 30 CEEDHN CCN(C(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccc(C)cc1 ZINC000884068753 652693774 /nfs/dbraw/zinc/69/37/74/652693774.db2.gz DLHRFBPWDSZUJI-SWKXRBFHSA-N 0 3 297.402 2.487 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)[C@H](N)CC1CC1 ZINC000884100362 652708210 /nfs/dbraw/zinc/70/82/10/652708210.db2.gz RVRPTRHEYKCZIG-OAHLLOKOSA-N 0 3 276.355 2.468 20 30 CEEDHN CCC1(C)CCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884118245 652715606 /nfs/dbraw/zinc/71/56/06/652715606.db2.gz ZPSRCRXBBLFYRK-UUCFBXCCSA-N 0 3 289.423 2.164 20 30 CEEDHN CC(C)[C@H]1CCCCN1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884140375 652724576 /nfs/dbraw/zinc/72/45/76/652724576.db2.gz RNSFPDAAADIGNE-GYMHETDLSA-N 0 3 289.423 2.163 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N(C(=O)C2CC3(C2)CNC[C@@H]3C#N)C1 ZINC000884143401 652726729 /nfs/dbraw/zinc/72/67/29/652726729.db2.gz HGVUMIWHBGTIAQ-GMILMZFISA-N 0 3 289.423 2.163 20 30 CEEDHN CC[C@H]1CCCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884145201 652727930 /nfs/dbraw/zinc/72/79/30/652727930.db2.gz FBXHHGZSNSNIOS-BOLLXYOYSA-N 0 3 289.423 2.164 20 30 CEEDHN CC(C)(C)CCCNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884150762 652731313 /nfs/dbraw/zinc/73/13/13/652731313.db2.gz VMVMLCQHUYREKB-MFOWVQHXSA-N 0 3 277.412 2.068 20 30 CEEDHN C#CCN1CCC(C)(CNC(=O)CCC2(C)CC2)CC1 ZINC001270919131 805688318 /nfs/dbraw/zinc/68/83/18/805688318.db2.gz HBVOZZOMUJVCAI-UHFFFAOYSA-N 0 3 276.424 2.418 20 30 CEEDHN C=CCN1CCC[C@](C)(CNC(=O)/C=C\c2ccc[nH]2)C1 ZINC001270959097 805700031 /nfs/dbraw/zinc/70/00/31/805700031.db2.gz SAZDKEQAJNYWDN-ZPUOCTKUSA-N 0 3 287.407 2.432 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1CC ZINC001087568460 805752176 /nfs/dbraw/zinc/75/21/76/805752176.db2.gz SAGZKHRGAIPSHD-JKSUJKDBSA-N 0 3 274.408 2.479 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccnn2CCC)[C@H]1CC ZINC001087587712 805757109 /nfs/dbraw/zinc/75/71/09/805757109.db2.gz DJPQEXBPBCXMCG-UONOGXRCSA-N 0 3 290.411 2.062 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)[C@H]1CC ZINC001087733448 805782158 /nfs/dbraw/zinc/78/21/58/805782158.db2.gz ALBCLRGWOXLMIE-LXTVHRRPSA-N 0 3 280.412 2.099 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2oncc2C)[C@H]1CC ZINC001087780870 805792029 /nfs/dbraw/zinc/79/20/29/805792029.db2.gz FEHIPWRGICELFN-QWHCGFSZSA-N 0 3 277.368 2.142 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(CC(=C)C)[C@@H]2CC)cn1 ZINC001087801480 805799382 /nfs/dbraw/zinc/79/93/82/805799382.db2.gz QSZATXWWCHSOMO-DLBZAZTESA-N 0 3 297.402 2.222 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]c3ncccc23)[C@H]1CC ZINC001087833728 805809493 /nfs/dbraw/zinc/80/94/93/805809493.db2.gz QUMSNXGQUHXHAS-LSDHHAIUSA-N 0 3 298.390 2.332 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccoc3C)C[C@@H]2C1 ZINC001087878601 805836413 /nfs/dbraw/zinc/83/64/13/805836413.db2.gz FXOYEMNWTWABPE-CABCVRRESA-N 0 3 286.375 2.005 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C(CC)CC)C[C@@H]2C1 ZINC001087890590 805841762 /nfs/dbraw/zinc/84/17/62/805841762.db2.gz ODZZMBYYRDFCCY-CVEARBPZSA-N 0 3 276.424 2.226 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H](C)C(C)(C)C)C[C@@H]2C1 ZINC001088013531 805880341 /nfs/dbraw/zinc/88/03/41/805880341.db2.gz IZRKZQKXCDHAIP-XHSDSOJGSA-N 0 3 290.451 2.472 20 30 CEEDHN C[C@@H]1C[C@H](NC(=N)c2ccc(Cl)cn2)CCO1 ZINC001168078675 806072078 /nfs/dbraw/zinc/07/20/78/806072078.db2.gz MUDLYYYHEVTUIB-PSASIEDQSA-N 0 3 253.733 2.008 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001271880174 806126950 /nfs/dbraw/zinc/12/69/50/806126950.db2.gz IASOWKURAAPXCO-OAGGEKHMSA-N 0 3 290.451 2.472 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)OCC(C)C ZINC001271969056 806168059 /nfs/dbraw/zinc/16/80/59/806168059.db2.gz AMBOUADLIOJMQA-AWEZNQCLSA-N 0 3 270.417 2.014 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccc(CC)n3)[C@@H]2C1 ZINC001075890162 806385610 /nfs/dbraw/zinc/38/56/10/806385610.db2.gz ROCDOOVDJRIUDS-WMLDXEAASA-N 0 3 299.418 2.366 20 30 CEEDHN CC(C)(O)[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000721871083 806398418 /nfs/dbraw/zinc/39/84/18/806398418.db2.gz BFHSISFEMFXLIU-CYBMUJFWSA-N 0 3 262.328 2.290 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)[C@H]1C ZINC001088589332 806489290 /nfs/dbraw/zinc/48/92/90/806489290.db2.gz WSWFBWLPWBGIFI-VYDXJSESSA-N 0 3 274.408 2.335 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CCC(F)(F)C2)[C@H]1C ZINC001088609230 806531940 /nfs/dbraw/zinc/53/19/40/806531940.db2.gz MWVWYEMEZODNIH-AGIUHOORSA-N 0 3 284.350 2.024 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(CC)n2)[C@H]1C ZINC001088625961 806573213 /nfs/dbraw/zinc/57/32/13/806573213.db2.gz NTVMMCFRAUTFMF-HIFRSBDPSA-N 0 3 287.407 2.413 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccnc(CCC)c2)[C@H]1C ZINC001088639140 806575359 /nfs/dbraw/zinc/57/53/59/806575359.db2.gz HDWBIOUFSZQDDL-PBHICJAKSA-N 0 3 299.418 2.250 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@H]1C ZINC001088663515 806585221 /nfs/dbraw/zinc/58/52/21/806585221.db2.gz GNJZAHMPKXHOJZ-OCCSQVGLSA-N 0 3 298.390 2.332 20 30 CEEDHN C[C@@H](NCCNC(=O)C#CC1CC1)c1ccc(F)c(F)c1 ZINC001126881404 806742427 /nfs/dbraw/zinc/74/24/27/806742427.db2.gz RWQFLDBRECURAL-LLVKDONJSA-N 0 3 292.329 2.145 20 30 CEEDHN C=CCCCO[C@@H]1C[C@@H]2[C@@H](OC(C)=O)C[C@H](C1)N2C ZINC001224511803 806792721 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C=CCN(C)[C@H](C)CNC(=O)C[C@H]1CCCC1(F)F ZINC001282450452 802443616 /nfs/dbraw/zinc/44/36/16/802443616.db2.gz PRBPIMYNBLYMNG-VXGBXAGGSA-N 0 3 274.355 2.434 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)C2(CC=C)CCCC2)C1 ZINC001266363094 802489852 /nfs/dbraw/zinc/48/98/52/802489852.db2.gz DCIIQKHKADTKAB-OAHLLOKOSA-N 0 3 274.408 2.337 20 30 CEEDHN C=CCN(C)CCNC(=O)[C@H](C)c1cccc(OC)c1 ZINC001266362397 802489923 /nfs/dbraw/zinc/48/99/23/802489923.db2.gz GYEUEGOENMLVKD-CYBMUJFWSA-N 0 3 276.380 2.033 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)Cc1ccc(C)s1 ZINC001266362734 802490171 /nfs/dbraw/zinc/49/01/71/802490171.db2.gz RVWWOJFMRYXSGL-UHFFFAOYSA-N 0 3 266.410 2.223 20 30 CEEDHN C=CCN(CC)CCNC(=O)c1nc(Cl)cs1 ZINC001266410701 802541400 /nfs/dbraw/zinc/54/14/00/802541400.db2.gz HDGZLTQBLNIJSC-UHFFFAOYSA-N 0 3 273.789 2.034 20 30 CEEDHN C=CCN(CC)CCNC(=O)c1ccc(F)c(OC)c1 ZINC001266417814 802548242 /nfs/dbraw/zinc/54/82/42/802548242.db2.gz IRBDNPSPJNZQPS-UHFFFAOYSA-N 0 3 280.343 2.072 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)CC(C)(C)C=C ZINC001266464511 802613289 /nfs/dbraw/zinc/61/32/89/802613289.db2.gz BQYCZQUQTIYJCM-CYBMUJFWSA-N 0 3 250.386 2.355 20 30 CEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)COC(C)C ZINC001266478185 802623838 /nfs/dbraw/zinc/62/38/38/802623838.db2.gz FMEFWTHXASCHMA-OAGGEKHMSA-N 0 3 294.439 2.441 20 30 CEEDHN C#CCN(CCC)CCNC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001266568537 802724325 /nfs/dbraw/zinc/72/43/25/802724325.db2.gz NXNRLKPDSDJBHY-HUUCEWRRSA-N 0 3 264.413 2.274 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)CC[C@@H]1CC[C@H](C)O1 ZINC001266578942 802734911 /nfs/dbraw/zinc/73/49/11/802734911.db2.gz CUXXAGKIWXIWET-HOTGVXAUSA-N 0 3 294.439 2.186 20 30 CEEDHN C=CCC(C)(C)C(=O)NCCCNCc1c(C)noc1C ZINC001167359856 802735704 /nfs/dbraw/zinc/73/57/04/802735704.db2.gz JMUDNPUPQBLQEY-UHFFFAOYSA-N 0 3 293.411 2.490 20 30 CEEDHN C=C(C)CN(CCNC(=O)c1cccc(C)n1)C1CC1 ZINC001266584306 802742971 /nfs/dbraw/zinc/74/29/71/802742971.db2.gz ZTORBKAYEXTYNX-UHFFFAOYSA-N 0 3 273.380 2.160 20 30 CEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccnc1 ZINC001039400822 802870921 /nfs/dbraw/zinc/87/09/21/802870921.db2.gz XZVKESZCHQQWAG-SJORKVTESA-N 0 3 299.418 2.266 20 30 CEEDHN C#Cc1ccc(C(=O)N(C)CCNC/C=C\Cl)cc1 ZINC001266797824 802905269 /nfs/dbraw/zinc/90/52/69/802905269.db2.gz GJIYFNIWEKZQAA-WTKPLQERSA-N 0 3 276.767 2.082 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)OCC1CC1 ZINC001279541340 803012953 /nfs/dbraw/zinc/01/29/53/803012953.db2.gz JEHVAZGGWXYUBD-VNQPRFMTSA-N 0 3 292.423 2.053 20 30 CEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCOC1 ZINC001039472091 803044392 /nfs/dbraw/zinc/04/43/92/803044392.db2.gz BEIADTIVSXEWKL-OAGGEKHMSA-N 0 3 292.423 2.054 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)/C=C(\C)C3CC3)C[C@@H]21 ZINC001041959520 803113410 /nfs/dbraw/zinc/11/34/10/803113410.db2.gz BQCBVBWQZPZYEP-KSUAYFRJSA-N 0 3 286.419 2.289 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)CCCC)C1 ZINC001267105274 803131902 /nfs/dbraw/zinc/13/19/02/803131902.db2.gz 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/nfs/dbraw/zinc/34/79/07/803347907.db2.gz ZXXAOUHMUAKNPZ-INIZCTEOSA-N 0 3 299.418 2.376 20 30 CEEDHN C#CCN(CCC)CCNC(=O)c1cccc(C)c1C ZINC001267319513 803363584 /nfs/dbraw/zinc/36/35/84/803363584.db2.gz JYUYZSSCURZTPN-UHFFFAOYSA-N 0 3 272.392 2.378 20 30 CEEDHN C=CCN(CCNC(=O)c1c2c[nH]nc2ccc1C)C1CC1 ZINC001267328149 803372708 /nfs/dbraw/zinc/37/27/08/803372708.db2.gz MDDZZIBARZSEJR-UHFFFAOYSA-N 0 3 298.390 2.252 20 30 CEEDHN C=CCN(CCNC(=O)[C@@H]1C[C@@]1(C)C(C)C)C1CC1 ZINC001267335423 803381158 /nfs/dbraw/zinc/38/11/58/803381158.db2.gz UVHBIXASFVNCOS-HOCLYGCPSA-N 0 3 264.413 2.435 20 30 CEEDHN C=CCCC(=O)N(C)CCNCc1ccc(OC)c(F)c1 ZINC001267353939 803402642 /nfs/dbraw/zinc/40/26/42/803402642.db2.gz XJNTZIYQTFMCKV-UHFFFAOYSA-N 0 3 294.370 2.349 20 30 CEEDHN CC#CCNCCN(C)C(=O)[C@H]1CCCc2ccccc21 ZINC001267389904 803455437 /nfs/dbraw/zinc/45/54/37/803455437.db2.gz APWPZYVSCOKGSX-KRWDZBQOSA-N 0 3 284.403 2.178 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C[C@H](C)OC)C1 ZINC001267449733 803470219 /nfs/dbraw/zinc/47/02/19/803470219.db2.gz FFIOPKDKTGAYQV-LSDHHAIUSA-N 0 3 282.428 2.300 20 30 CEEDHN C=CCC[N@H+]1CC[C@@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001267508010 803516312 /nfs/dbraw/zinc/51/63/12/803516312.db2.gz IRFJQDCFGGSDRF-CQSZACIVSA-N 0 3 288.391 2.410 20 30 CEEDHN C=CCC[N@@H+]1CC[C@@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001267508010 803516316 /nfs/dbraw/zinc/51/63/16/803516316.db2.gz IRFJQDCFGGSDRF-CQSZACIVSA-N 0 3 288.391 2.410 20 30 CEEDHN C=CCN[C@H](CNC(=O)COC(C)C)c1ccccc1 ZINC001267518075 803521474 /nfs/dbraw/zinc/52/14/74/803521474.db2.gz WVMOIVPJBAVPBV-OAHLLOKOSA-N 0 3 276.380 2.045 20 30 CEEDHN Cc1ccc(C#N)nc1-n1nc(CN)c2ccccc21 ZINC001167695301 803559961 /nfs/dbraw/zinc/55/99/61/803559961.db2.gz FWKVQRHXUPQVQY-UHFFFAOYSA-N 0 3 263.304 2.059 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)C3CC4(CC4)C3)C[C@@H]21 ZINC001042234742 803590247 /nfs/dbraw/zinc/59/02/47/803590247.db2.gz YCLHFGRRGUGYGB-ZFWWWQNUSA-N 0 3 274.408 2.285 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(C)o3)[C@@H]2C1 ZINC001075521703 803601504 /nfs/dbraw/zinc/60/15/04/803601504.db2.gz XYTYAMRNWCNFNS-UONOGXRCSA-N 0 3 274.364 2.310 20 30 CEEDHN C#CCCN1CC(CNC(=O)CC(C)(C)C(F)(F)F)C1 ZINC001267697416 803664271 /nfs/dbraw/zinc/66/42/71/803664271.db2.gz KGJCDDFLWRUETF-UHFFFAOYSA-N 0 3 290.329 2.036 20 30 CEEDHN C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC=C ZINC001267704656 803665454 /nfs/dbraw/zinc/66/54/54/803665454.db2.gz DHMAEFXGBNXHOB-HOTGVXAUSA-N 0 3 274.408 2.431 20 30 CEEDHN C=C[C@@](C)(O)CC(=O)N1C[C@@H]2C[C@H]1CN2CCCCCC ZINC001267705424 803666630 /nfs/dbraw/zinc/66/66/30/803666630.db2.gz ZVMXDRWMYFPGPX-YQQAZPJKSA-N 0 3 294.439 2.179 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)CCc2ccc(C)s2)C1 ZINC001267735487 803683767 /nfs/dbraw/zinc/68/37/67/803683767.db2.gz ANBGSVGUALMTCQ-AWEZNQCLSA-N 0 3 290.432 2.203 20 30 CEEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cncnc2)C1 ZINC001267740779 803694022 /nfs/dbraw/zinc/69/40/22/803694022.db2.gz UDWKPXDXJXWCIX-OAHLLOKOSA-N 0 3 290.411 2.251 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CC(C)(F)F)C1 ZINC001267771546 803723511 /nfs/dbraw/zinc/72/35/11/803723511.db2.gz IPMYSPRHQSUASV-NSHDSACASA-N 0 3 260.328 2.141 20 30 CEEDHN C=CCC(C)(C)C(=O)NC[C@H](CC)NCc1cnn(C)c1 ZINC001267822364 803756872 /nfs/dbraw/zinc/75/68/72/803756872.db2.gz XVXHCAHXTMGJMN-AWEZNQCLSA-N 0 3 292.427 2.007 20 30 CEEDHN C=CCCC(=O)N1C[C@H](NC/C=C/Cl)C[C@H]1C ZINC001283965573 803838350 /nfs/dbraw/zinc/83/83/50/803838350.db2.gz PSMYEZMERCNMNY-ONYUAGEFSA-N 0 3 256.777 2.284 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(C)nc3)[C@@H]2C1 ZINC001075558340 803929406 /nfs/dbraw/zinc/92/94/06/803929406.db2.gz HVERZFVOQOUJOD-JKSUJKDBSA-N 0 3 285.391 2.112 20 30 CEEDHN N#CC(C(=O)CCCc1cccs1)C(=O)N1CCCC1 ZINC000124489520 803945818 /nfs/dbraw/zinc/94/58/18/803945818.db2.gz QKLNABAPIXZYJO-ZDUSSCGKSA-N 0 3 290.388 2.402 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2C(C)(C)C2(C)C)C1 ZINC001027354290 804047011 /nfs/dbraw/zinc/04/70/11/804047011.db2.gz ZPJMQAJUFFXYIS-ZDUSSCGKSA-N 0 3 276.424 2.225 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2c(C)cccc2C)C1 ZINC001027431688 804073853 /nfs/dbraw/zinc/07/38/53/804073853.db2.gz SWOPHOWDKYWFSG-KRWDZBQOSA-N 0 3 298.430 2.402 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c(C)oc(C)c2C)C1 ZINC001027484536 804087931 /nfs/dbraw/zinc/08/79/31/804087931.db2.gz BZJILLNJRJBSPR-OAHLLOKOSA-N 0 3 288.391 2.374 20 30 CEEDHN C=CCCN1C[C@@H]2CCN(C(=O)c3scnc3C)[C@@H]2C1 ZINC001075575197 804167376 /nfs/dbraw/zinc/16/73/76/804167376.db2.gz QQHDKNBMZQDMEC-QWHCGFSZSA-N 0 3 291.420 2.174 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001027745989 804232717 /nfs/dbraw/zinc/23/27/17/804232717.db2.gz IWMRSCMHYMODLU-LSDHHAIUSA-N 0 3 262.397 2.499 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc2cc[nH]c2n1 ZINC001027949855 804358850 /nfs/dbraw/zinc/35/88/50/804358850.db2.gz FOZFFEMHYMGNEY-CQSZACIVSA-N 0 3 298.390 2.333 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cnc2ccccn12 ZINC001027982217 804379260 /nfs/dbraw/zinc/37/92/60/804379260.db2.gz SFJYXTVGWMYDHG-CQSZACIVSA-N 0 3 298.390 2.105 20 30 CEEDHN Cc1ccc(CN2CCCN(C(=O)[C@H](C)C#N)CC2)c(C)c1 ZINC000980849820 804386610 /nfs/dbraw/zinc/38/66/10/804386610.db2.gz OFWHEGFSWFWLCR-MRXNPFEDSA-N 0 3 299.418 2.497 20 30 CEEDHN CC[C@@H](C)CC(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001126307264 804424622 /nfs/dbraw/zinc/42/46/22/804424622.db2.gz QTLITSFKAPOMDK-GFCCVEGCSA-N 0 3 291.370 2.339 20 30 CEEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)C(C)(F)F ZINC001282086349 804489490 /nfs/dbraw/zinc/48/94/90/804489490.db2.gz NBHDHHUGCKFNEI-OLZOCXBDSA-N 0 3 294.345 2.176 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001028159486 804503686 /nfs/dbraw/zinc/50/36/86/804503686.db2.gz SPTAJEOPQBYMMR-ZDUSSCGKSA-N 0 3 288.395 2.057 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001028185120 804520520 /nfs/dbraw/zinc/52/05/20/804520520.db2.gz QMOPKTCUTFLIMC-NRSFXHEJSA-N 0 3 296.414 2.339 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1ccc2oc(C)nc2c1 ZINC001268241801 804567795 /nfs/dbraw/zinc/56/77/95/804567795.db2.gz XOVGQMOEOKWBML-UHFFFAOYSA-N 0 3 287.363 2.326 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1nc(C)oc1C ZINC001028217684 804569696 /nfs/dbraw/zinc/56/96/96/804569696.db2.gz XHKZQVRXHQZCNX-ZDUSSCGKSA-N 0 3 277.368 2.062 20 30 CEEDHN C=CCC(C)(C)C(=O)N(C)CCN(C)CCCF ZINC001268251518 804574945 /nfs/dbraw/zinc/57/49/45/804574945.db2.gz ZWTKWDJPKXSGLW-UHFFFAOYSA-N 0 3 258.381 2.339 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)[C@H](C)Cc1ccco1 ZINC001268253628 804576673 /nfs/dbraw/zinc/57/66/73/804576673.db2.gz WNXOAHNMVNQXMU-CYBMUJFWSA-N 0 3 264.369 2.034 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001028243196 804607096 /nfs/dbraw/zinc/60/70/96/804607096.db2.gz NKOFNILURFXLQW-CQSZACIVSA-N 0 3 287.407 2.274 20 30 CEEDHN C=CCCC(=O)N[C@H](C)CCN[C@H](C)c1cnc(C)cn1 ZINC001268351526 804625980 /nfs/dbraw/zinc/62/59/80/804625980.db2.gz VXYWDJLSDHUXME-TZMCWYRMSA-N 0 3 290.411 2.297 20 30 CEEDHN C=C(C)CCC(=O)N[C@H](C)CCNCc1ocnc1C ZINC001268370124 804637120 /nfs/dbraw/zinc/63/71/20/804637120.db2.gz IAQBUHREHKCOGF-GFCCVEGCSA-N 0 3 279.384 2.324 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccccc1OC ZINC001028277649 804656995 /nfs/dbraw/zinc/65/69/95/804656995.db2.gz ZQYCQOMOZPTLHY-AWEZNQCLSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(OC)c1 ZINC001028282361 804671793 /nfs/dbraw/zinc/67/17/93/804671793.db2.gz BKGKNTXFWPRNRF-CQSZACIVSA-N 0 3 274.364 2.075 20 30 CEEDHN C#CCNCCN(CC)C(=O)C/C=C\Cc1ccccc1 ZINC001268458461 804703045 /nfs/dbraw/zinc/70/30/45/804703045.db2.gz CENUGDLIAYYATC-HJWRWDBZSA-N 0 3 284.403 2.247 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001028317815 804712792 /nfs/dbraw/zinc/71/27/92/804712792.db2.gz KMQHCZSOZJPXGO-HNNXBMFYSA-N 0 3 262.397 2.499 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(Cl)o2)C1 ZINC001028411166 804755286 /nfs/dbraw/zinc/75/52/86/804755286.db2.gz MGOVLKIPVCOVKI-LLVKDONJSA-N 0 3 280.755 2.008 20 30 CEEDHN C#CCNCCN(CC)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001268500017 804769802 /nfs/dbraw/zinc/76/98/02/804769802.db2.gz SFPCDPYFRDUASW-JKSUJKDBSA-N 0 3 288.366 2.001 20 30 CEEDHN N#CCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000426410479 804816758 /nfs/dbraw/zinc/81/67/58/804816758.db2.gz JBAUASPMGIPRDQ-OAHLLOKOSA-N 0 3 286.379 2.036 20 30 CEEDHN C#CCNC/C=C/CNC(=O)[C@H]1CCCc2ccccc21 ZINC001268554235 804818439 /nfs/dbraw/zinc/81/84/39/804818439.db2.gz AWAWEBARYVFOCM-RTRPANQVSA-N 0 3 282.387 2.002 20 30 CEEDHN C=C1CC(C)(C(=O)NC/C=C/CNC/C=C\Cl)C1 ZINC001268589725 804858317 /nfs/dbraw/zinc/85/83/17/804858317.db2.gz GXQYXAXYRSJQNP-ICWBMWKASA-N 0 3 268.788 2.357 20 30 CEEDHN CC#CCNC/C=C/CNC(=O)c1ccc(C2CC2)nc1C ZINC001268593258 804864586 /nfs/dbraw/zinc/86/45/86/804864586.db2.gz SSUWBYKPMUTKOL-AATRIKPKSA-N 0 3 297.402 2.166 20 30 CEEDHN C#CCNC/C=C\CNC(=O)CC1(C=C)CCCCC1 ZINC001268602890 804889331 /nfs/dbraw/zinc/88/93/31/804889331.db2.gz OEOOHDHKXHDYOA-HJWRWDBZSA-N 0 3 274.408 2.408 20 30 CEEDHN C=CCCCC(=O)N[C@H](C)CNCc1cc(C)ns1 ZINC001268660777 804916209 /nfs/dbraw/zinc/91/62/09/804916209.db2.gz ZMXNTZNJKNPADU-GFCCVEGCSA-N 0 3 281.425 2.402 20 30 CEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)CC(C)(C)C ZINC001268721905 804943826 /nfs/dbraw/zinc/94/38/26/804943826.db2.gz IWWMKECDWAKRSX-CYBMUJFWSA-N 0 3 270.417 2.062 20 30 CEEDHN C[C@@H](CN(C)C[C@H]1CCCCO1)NC(=O)C#CC(C)(C)C ZINC001268730086 804948019 /nfs/dbraw/zinc/94/80/19/804948019.db2.gz LRDHDKGUOXPJOF-LSDHHAIUSA-N 0 3 294.439 2.042 20 30 CEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc(C(C)C)nn1CC ZINC001268735172 804951235 /nfs/dbraw/zinc/95/12/35/804951235.db2.gz HAGDRPRNTRFBQO-ZDUSSCGKSA-N 0 3 292.427 2.263 20 30 CEEDHN C#CCCCC(=O)N1C[C@@H](NC/C=C\Cl)C(C)(C)C1 ZINC001284276333 804964844 /nfs/dbraw/zinc/96/48/44/804964844.db2.gz DBDUQRHHRIGGMS-FNOHHLHBSA-N 0 3 282.815 2.369 20 30 CEEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1CC[C@H](F)C1 ZINC001268826956 804983075 /nfs/dbraw/zinc/98/30/75/804983075.db2.gz VNNDDLJMDXTBFU-RYUDHWBXSA-N 0 3 276.783 2.315 20 30 CEEDHN C#Cc1cncc(C(=O)NCC2CN(CC/C=C/CC)C2)c1 ZINC001268879221 804993473 /nfs/dbraw/zinc/99/34/73/804993473.db2.gz NLHSTDDUOBXXAW-AATRIKPKSA-N 0 3 297.402 2.081 20 30 CEEDHN C=C(C)CCC(=O)N[C@H](CNCc1cccnc1)C1CC1 ZINC001269076520 805041798 /nfs/dbraw/zinc/04/17/98/805041798.db2.gz WCXCPWLGWOBXPW-MRXNPFEDSA-N 0 3 287.407 2.422 20 30 CEEDHN CCCCCCCN1CC[C@@H]1CNC(=O)C1=COCCO1 ZINC001269195357 805074758 /nfs/dbraw/zinc/07/47/58/805074758.db2.gz NITCRAMCELNCPN-CQSZACIVSA-N 0 3 296.411 2.036 20 30 CEEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001269212125 805083817 /nfs/dbraw/zinc/08/38/17/805083817.db2.gz YFXATDZZDIHWKX-BXUZGUMPSA-N 0 3 290.411 2.185 20 30 CEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1coc(CC)n1 ZINC001269221712 805091406 /nfs/dbraw/zinc/09/14/06/805091406.db2.gz BXIQBKZXSGISDL-QWHCGFSZSA-N 0 3 291.395 2.396 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)C1(C(F)(F)F)CCC1 ZINC001269255106 805101954 /nfs/dbraw/zinc/10/19/54/805101954.db2.gz LOJOOVMVSMRCLF-NSHDSACASA-N 0 3 290.329 2.486 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1(CC)CCOCC1 ZINC001269326075 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805373797 /nfs/dbraw/zinc/37/37/97/805373797.db2.gz ZJLVSNGQSJBGSZ-JYJNAYRXSA-N 0 3 276.424 2.274 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)[C@@H](C)C(C)C)CC1 ZINC001270255858 805383279 /nfs/dbraw/zinc/38/32/79/805383279.db2.gz QGCKMKOBYIWSBJ-AWEZNQCLSA-N 0 3 264.413 2.273 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)CC2CCCC2)C1 ZINC001270528377 805460783 /nfs/dbraw/zinc/46/07/83/805460783.db2.gz DFOBYMWEUQOTTA-HNNXBMFYSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@H](C)c2ccncc2)C1 ZINC001270600256 805480733 /nfs/dbraw/zinc/48/07/33/805480733.db2.gz XCWHAPFJHDBUIJ-WMLDXEAASA-N 0 3 287.407 2.342 20 30 CEEDHN CC#CC(=O)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001270712603 805533984 /nfs/dbraw/zinc/53/39/84/805533984.db2.gz CMSHGORFUNXMLS-RYUDHWBXSA-N 0 3 288.313 2.027 20 30 CEEDHN CC[C@@H]1[C@@H](NC(=O)C2CC2)CCN1Cc1ccc(C#N)cc1 ZINC001087481901 805549024 /nfs/dbraw/zinc/54/90/24/805549024.db2.gz KGZLVJCSMCKFGR-DLBZAZTESA-N 0 3 297.402 2.437 20 30 CEEDHN C=CCCC(=O)N1C[C@@H](CNCc2cnc(C)o2)[C@H](C)C1 ZINC001105928961 807162309 /nfs/dbraw/zinc/16/23/09/807162309.db2.gz CACAAJZCSBYXDS-TZMCWYRMSA-N 0 3 291.395 2.133 20 30 CEEDHN CC(C)C[C@H](N)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC001119380927 815102119 /nfs/dbraw/zinc/10/21/19/815102119.db2.gz MURRDKILTWRDJQ-FZMZJTMJSA-N 0 3 259.353 2.109 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](F)C(C)C)C2 ZINC001045959611 807337010 /nfs/dbraw/zinc/33/70/10/807337010.db2.gz TWAFPMXUMKTSHF-RDJZCZTQSA-N 0 3 294.414 2.318 20 30 CEEDHN Cc1ccc(CN2CCC[C@H](O)[C@@H](C)C2)c(C#N)c1 ZINC001232961909 807344547 /nfs/dbraw/zinc/34/45/47/807344547.db2.gz JOMCSCUCSZXDHX-BBRMVZONSA-N 0 3 258.365 2.460 20 30 CEEDHN C=C(C)CCN1CC(NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001031050644 807621116 /nfs/dbraw/zinc/62/11/16/807621116.db2.gz RVYWKAXOXKSJOS-INIZCTEOSA-N 0 3 293.455 2.016 20 30 CEEDHN CC[C@H](C)[C@H]([NH2+][C@@H](C)Cc1cccc(F)c1)C(=O)N[O-] ZINC001168474872 807695275 /nfs/dbraw/zinc/69/52/75/807695275.db2.gz NUSKQRXLGSWATB-MJVIPROJSA-N 0 3 282.359 2.266 20 30 CEEDHN C#CCN(C(=O)N[C@@H]1CCC[C@H](F)C1)C1CCN(C)CC1 ZINC001119619137 815141033 /nfs/dbraw/zinc/14/10/33/815141033.db2.gz WSHLLKVYFPYXET-UONOGXRCSA-N 0 3 295.402 2.006 20 30 CEEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001123233485 807843638 /nfs/dbraw/zinc/84/36/38/807843638.db2.gz KIBYARYGGVPSQU-JLIMGVALSA-N 0 3 263.728 2.296 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CC=CCC2)cc1 ZINC001123382946 807890646 /nfs/dbraw/zinc/89/06/46/807890646.db2.gz ZJWGJLISKDCUDJ-MRXNPFEDSA-N 0 3 283.375 2.120 20 30 CEEDHN C=CCCCCC[NH2+]CCNC(=O)c1ccccc1[O-] ZINC001123782809 807964914 /nfs/dbraw/zinc/96/49/14/807964914.db2.gz QFZOMTNMZPKVDV-UHFFFAOYSA-N 0 3 276.380 2.458 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)co2)CC(C)(C)C1 ZINC001089467076 808003277 /nfs/dbraw/zinc/00/32/77/808003277.db2.gz PMRLEZLLRMPXHL-CQSZACIVSA-N 0 3 288.391 2.442 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2c(C)noc2CCC)C1 ZINC001031666464 808044905 /nfs/dbraw/zinc/04/49/05/808044905.db2.gz NLWNIVHCHMWEOD-UHFFFAOYSA-N 0 3 291.395 2.173 20 30 CEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001089609837 808072725 /nfs/dbraw/zinc/07/27/25/808072725.db2.gz MHPCXPGGCDIKEG-CQSZACIVSA-N 0 3 290.411 2.206 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2cc(F)ccc2F)C1 ZINC001031733438 808089262 /nfs/dbraw/zinc/08/92/62/808089262.db2.gz ZQXWDKKIDMZKNG-UHFFFAOYSA-N 0 3 280.318 2.203 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001089683249 808095976 /nfs/dbraw/zinc/09/59/76/808095976.db2.gz PJCUIWLXXZYTGK-MGPQQGTHSA-N 0 3 264.413 2.435 20 30 CEEDHN Cc1ccc(CCC(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000130906686 808156365 /nfs/dbraw/zinc/15/63/65/808156365.db2.gz NBENBPVMHWZDKG-CQSZACIVSA-N 0 3 272.348 2.161 20 30 CEEDHN C=CCCC(=O)NCCNCc1ccc(F)c(F)c1 ZINC001124631555 808232125 /nfs/dbraw/zinc/23/21/25/808232125.db2.gz KPHIAEQTLUXSQU-UHFFFAOYSA-N 0 3 268.307 2.137 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2csc(Cl)n2)C1 ZINC001032107180 808290047 /nfs/dbraw/zinc/29/00/47/808290047.db2.gz XHCKWLVIFRYRAD-UHFFFAOYSA-N 0 3 285.800 2.034 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)CCC(F)(F)F)cc1 ZINC001125227728 808346201 /nfs/dbraw/zinc/34/62/01/808346201.db2.gz YBLBYPTVTUESLD-UHFFFAOYSA-N 0 3 299.296 2.107 20 30 CEEDHN CCc1cc(C#N)ccc1CN1C[C@@H]2CCO[C@@H]2C1 ZINC001248751813 815220691 /nfs/dbraw/zinc/22/06/91/815220691.db2.gz LFKSNGCHUHXBBE-JKSUJKDBSA-N 0 3 256.349 2.341 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]c(C)cc1C ZINC001032479976 808635011 /nfs/dbraw/zinc/63/50/11/808635011.db2.gz NJNHOKSPUWTOFZ-GJZGRUSLSA-N 0 3 287.407 2.496 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CC1 ZINC001032609189 808729409 /nfs/dbraw/zinc/72/94/09/808729409.db2.gz LNPZOVZYFZMTGV-KBPBESRZSA-N 0 3 262.397 2.428 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccco1 ZINC001032694149 808788327 /nfs/dbraw/zinc/78/83/27/808788327.db2.gz IZNICCNFBFGZDI-KBPBESRZSA-N 0 3 274.364 2.073 20 30 CEEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2ccoc2)cc1 ZINC000131714884 808855397 /nfs/dbraw/zinc/85/53/97/808855397.db2.gz NMOROVLKOGYOBS-ZDUSSCGKSA-N 0 3 284.271 2.249 20 30 CEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1 ZINC001272914643 808858426 /nfs/dbraw/zinc/85/84/26/808858426.db2.gz GTUSFAIOZTTWDQ-HZPDHXFCSA-N 0 3 286.350 2.024 20 30 CEEDHN C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccccc2[O-])C12CCC2 ZINC001078560328 808917886 /nfs/dbraw/zinc/91/78/86/808917886.db2.gz DNDMNKDCDZASGD-HUUCEWRRSA-N 0 3 286.375 2.209 20 30 CEEDHN CCOC(=O)/C=C/CN[C@@H](C)c1ccc(C#N)cc1 ZINC000131015690 809062596 /nfs/dbraw/zinc/06/25/96/809062596.db2.gz RJGWZFGNKBIVLO-ITKZLYELSA-N 0 3 258.321 2.328 20 30 CEEDHN N#CCCN(C1CCCC1)[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172021163 815268837 /nfs/dbraw/zinc/26/88/37/815268837.db2.gz HJPOQKAIFIDFJJ-OAHLLOKOSA-N 0 3 275.396 2.298 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)C(F)=C2CCCC2)C1 ZINC001033010618 809144999 /nfs/dbraw/zinc/14/49/99/809144999.db2.gz SABKYBOKJGLXLY-AWEZNQCLSA-N 0 3 278.371 2.340 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2[nH]ccc2C2CC2)C1 ZINC001033144915 809200656 /nfs/dbraw/zinc/20/06/56/809200656.db2.gz CEFPKMLPJCZPCN-CQSZACIVSA-N 0 3 285.391 2.062 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(F)c(F)c2)C1 ZINC001033147460 809200706 /nfs/dbraw/zinc/20/07/06/809200706.db2.gz XQVLCPULBYGCSQ-CYBMUJFWSA-N 0 3 292.329 2.134 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cncc(CC)c2)C1 ZINC001033262856 809252055 /nfs/dbraw/zinc/25/20/55/809252055.db2.gz MKRJRPILRWQRPW-INIZCTEOSA-N 0 3 287.407 2.366 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ncc(C)cc2C)C1 ZINC001033282517 809257714 /nfs/dbraw/zinc/25/77/14/809257714.db2.gz OTWSIEWGQDJXKU-HNNXBMFYSA-N 0 3 287.407 2.421 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001033293432 809259390 /nfs/dbraw/zinc/25/93/90/809259390.db2.gz MAGLXFXGLKJESD-KGLIPLIRSA-N 0 3 298.377 2.368 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001033366761 809283093 /nfs/dbraw/zinc/28/30/93/809283093.db2.gz ZXIWZXBDOINMIH-HNNXBMFYSA-N 0 3 276.424 2.369 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(C)CC=CC2)C1 ZINC001033387733 809290896 /nfs/dbraw/zinc/29/08/96/809290896.db2.gz OWWXNRWZAACXSZ-AWEZNQCLSA-N 0 3 262.397 2.452 20 30 CEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2ocnc2C(F)F)C1 ZINC001033426621 809300082 /nfs/dbraw/zinc/30/00/82/809300082.db2.gz SZVFUMYXYFOQCF-SNVBAGLBSA-N 0 3 299.321 2.335 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(C)ccc2F)C1 ZINC001033458361 809308400 /nfs/dbraw/zinc/30/84/00/809308400.db2.gz YGHMEYGVMACLEQ-AWEZNQCLSA-N 0 3 288.366 2.304 20 30 CEEDHN C=C1CCC(C(=O)NC[C@@H]2CCCCN2C)CC1 ZINC001120810384 815278998 /nfs/dbraw/zinc/27/89/98/815278998.db2.gz RLTAJJPWBJANIL-AWEZNQCLSA-N 0 3 250.386 2.333 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)C2(F)CCCCC2)C1 ZINC001033560343 809340004 /nfs/dbraw/zinc/34/00/04/809340004.db2.gz ZFRUUVRVIGZOOA-AWEZNQCLSA-N 0 3 280.387 2.215 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccccc2)C1 ZINC001033599671 809352946 /nfs/dbraw/zinc/35/29/46/809352946.db2.gz RSJOKUKHYVXHOO-WBVHZDCISA-N 0 3 284.403 2.346 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(F)cc2F)C1 ZINC001033629444 809365389 /nfs/dbraw/zinc/36/53/89/809365389.db2.gz ZRKNAADXRUOGIY-ZDUSSCGKSA-N 0 3 292.329 2.134 20 30 CEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2c(C)noc2CC)C1 ZINC001033662881 809376345 /nfs/dbraw/zinc/37/63/45/809376345.db2.gz OEVRDTAAAYTNJA-ZDUSSCGKSA-N 0 3 291.395 2.268 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(CF)cc2)C1 ZINC001033694009 809382712 /nfs/dbraw/zinc/38/27/12/809382712.db2.gz GKQTVAJSOHHMRX-MRXNPFEDSA-N 0 3 288.366 2.326 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C)oc2C)C1 ZINC001033749578 809403412 /nfs/dbraw/zinc/40/34/12/809403412.db2.gz JDXNOJFMLJGUOD-HNNXBMFYSA-N 0 3 288.391 2.456 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C2=COCCC2)C1 ZINC001033777070 809416278 /nfs/dbraw/zinc/41/62/78/809416278.db2.gz SVNJOWZPCHYLNB-HNNXBMFYSA-N 0 3 278.396 2.180 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2[nH]ccc2C2CC2)C1 ZINC001033854926 809435022 /nfs/dbraw/zinc/43/50/22/809435022.db2.gz ZHQNTAKGYIFQPL-HNNXBMFYSA-N 0 3 299.418 2.452 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2csc(C)n2)C1 ZINC001033935833 809458474 /nfs/dbraw/zinc/45/84/74/809458474.db2.gz IOUYFZBZXXJNNT-CYBMUJFWSA-N 0 3 291.420 2.011 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCN(CC(=C)C)C1 ZINC001033953952 809461439 /nfs/dbraw/zinc/46/14/39/809461439.db2.gz JHDLIXQPLBYFMB-XHSDSOJGSA-N 0 3 292.423 2.076 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccn(C)c2C)C1 ZINC001033945742 809464530 /nfs/dbraw/zinc/46/45/30/809464530.db2.gz BAOFPBWSSHGBQE-HNNXBMFYSA-N 0 3 289.423 2.446 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2CCC2)C1 ZINC001034067731 809498121 /nfs/dbraw/zinc/49/81/21/809498121.db2.gz BVHJMASKADDACE-AWEZNQCLSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@]1(C)CN(C[C@@H](C)CC)CCO1 ZINC001108119628 809547568 /nfs/dbraw/zinc/54/75/68/809547568.db2.gz RIEVCDVPSAEEAI-WMLDXEAASA-N 0 3 296.455 2.452 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccccc2)C1 ZINC001034273589 809568902 /nfs/dbraw/zinc/56/89/02/809568902.db2.gz WFGWXMDBYJBGTI-MRXNPFEDSA-N 0 3 272.392 2.386 20 30 CEEDHN CC(=O)N[C@H]1CC[C@H](NCc2ccccc2C#N)CC1 ZINC001034571731 809630770 /nfs/dbraw/zinc/63/07/70/809630770.db2.gz FMXNFEWHXAQEIZ-WKILWMFISA-N 0 3 271.364 2.095 20 30 CEEDHN C=C(Br)CN[C@H]1CC[C@H](NC(=O)CC)CC1 ZINC001034573186 809631375 /nfs/dbraw/zinc/63/13/75/809631375.db2.gz JSJFXOGWVFCYBE-XYPYZODXSA-N 0 3 289.217 2.322 20 30 CEEDHN CC(C)C[C@](C)(C#N)Nc1ccc2c(n1)CCNC2 ZINC001162516253 809659165 /nfs/dbraw/zinc/65/91/65/809659165.db2.gz CNDHNYYCEVFFKD-OAHLLOKOSA-N 0 3 258.369 2.468 20 30 CEEDHN C[C@H](C#N)C(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001034884495 809715034 /nfs/dbraw/zinc/71/50/34/809715034.db2.gz HSNFWIXQGINGNP-TZMCWYRMSA-N 0 3 289.354 2.066 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)C(CC)CC)CC2 ZINC001035660115 809798148 /nfs/dbraw/zinc/79/81/48/809798148.db2.gz MNZDNKZVPPKZRT-UHFFFAOYSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)/C=C(\C)C1CC1)CC2 ZINC001035661591 809798597 /nfs/dbraw/zinc/79/85/97/809798597.db2.gz SEOSKMKNVIFEQJ-NTCAYCPXSA-N 0 3 286.419 2.290 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CC(F)(F)F)CC2 ZINC001035663480 809798886 /nfs/dbraw/zinc/79/88/86/809798886.db2.gz YOIRSDJOIIQDMG-UHFFFAOYSA-N 0 3 290.329 2.439 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)/C=C/C1CC1)CC2 ZINC001035674474 809800519 /nfs/dbraw/zinc/80/05/19/809800519.db2.gz UPACZZURAHGIPL-AATRIKPKSA-N 0 3 274.408 2.453 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cc[nH]c1CC)CC2 ZINC001035700636 809804316 /nfs/dbraw/zinc/80/43/16/809804316.db2.gz KRINFQZTXKSLIA-UHFFFAOYSA-N 0 3 299.418 2.138 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H](C)C(C)C)CC2 ZINC001035810461 809820691 /nfs/dbraw/zinc/82/06/91/809820691.db2.gz VIORRNPCYUMDEH-OAHLLOKOSA-N 0 3 276.424 2.226 20 30 CEEDHN CCC(=O)N1CC[C@@H]2[C@@H](CCN2Cc2ccccc2C#N)C1 ZINC001036609247 809963651 /nfs/dbraw/zinc/96/36/51/809963651.db2.gz XPUZPNVPRQHXJU-DLBZAZTESA-N 0 3 297.402 2.391 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001079368875 810206771 /nfs/dbraw/zinc/20/67/71/810206771.db2.gz XLDIUHPRMQRXFB-DGCLKSJQSA-N 0 3 276.405 2.130 20 30 CEEDHN C=C(C)CCN1C[C@@H](C)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001079477802 810213923 /nfs/dbraw/zinc/21/39/23/810213923.db2.gz ULUSSMUDORTJLC-DGCLKSJQSA-N 0 3 293.436 2.468 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001079759154 810231809 /nfs/dbraw/zinc/23/18/09/810231809.db2.gz VWPWOTNODYRKMD-INMHGKMJSA-N 0 3 274.408 2.193 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001079816993 810233886 /nfs/dbraw/zinc/23/38/86/810233886.db2.gz AZBHZEVGXIUNAH-GRYCIOLGSA-N 0 3 272.339 2.044 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001014906256 810243548 /nfs/dbraw/zinc/24/35/48/810243548.db2.gz SNPJYIAXQQQLPO-JSGCOSHPSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccncc2CC)C1 ZINC001080005187 810245056 /nfs/dbraw/zinc/24/50/56/810245056.db2.gz YUMXRRWGGLEYPZ-CZUORRHYSA-N 0 3 287.407 2.270 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001080176185 810253837 /nfs/dbraw/zinc/25/38/37/810253837.db2.gz JOWJUINVNRGSKY-OVYGPGRDSA-N 0 3 288.435 2.273 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001080431931 810281278 /nfs/dbraw/zinc/28/12/78/810281278.db2.gz VKKQQIZZWFKJFZ-YRGRVCCFSA-N 0 3 278.421 2.474 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001015369025 810283780 /nfs/dbraw/zinc/28/37/80/810283780.db2.gz OXYJOKPKCXJFNW-XUWVNRHRSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001015423142 810288218 /nfs/dbraw/zinc/28/82/18/810288218.db2.gz QEPHILIXKLETPV-HNNXBMFYSA-N 0 3 274.408 2.171 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccnc(C)c2)C1 ZINC001080645900 810298453 /nfs/dbraw/zinc/29/84/53/810298453.db2.gz BDXFAYVLVXPRJX-IUODEOHRSA-N 0 3 273.380 2.016 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001080754526 810305554 /nfs/dbraw/zinc/30/55/54/810305554.db2.gz OHIZZYKPNULRGX-VNHYZAJKSA-N 0 3 264.413 2.435 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001080746689 810306253 /nfs/dbraw/zinc/30/62/53/810306253.db2.gz BOGMIZGAGRQFMM-BXUZGUMPSA-N 0 3 262.397 2.045 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H](C)Oc1ccccc1 ZINC001121847934 815360719 /nfs/dbraw/zinc/36/07/19/815360719.db2.gz DNODPHFXVJLJGR-HIFRSBDPSA-N 0 3 276.380 2.254 20 30 CEEDHN CC#CCCCC(=O)NCCCNCc1ccc(F)cn1 ZINC001164262766 810334083 /nfs/dbraw/zinc/33/40/83/810334083.db2.gz LDYYULIYLNJLGU-UHFFFAOYSA-N 0 3 291.370 2.010 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)NCC(=O)c1cccnc1 ZINC001172301395 815361975 /nfs/dbraw/zinc/36/19/75/815361975.db2.gz OCFIOLBAOLRUGB-ZDUSSCGKSA-N 0 3 279.343 2.357 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001015739979 810341868 /nfs/dbraw/zinc/34/18/68/810341868.db2.gz LHPWBPKGVRTILP-MRXNPFEDSA-N 0 3 268.360 2.157 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001015747966 810345686 /nfs/dbraw/zinc/34/56/86/810345686.db2.gz IPGURLQQBQBCST-QGZVFWFLSA-N 0 3 284.403 2.168 20 30 CEEDHN CC(=O)N1CCC2(CN([C@@H](C)Cc3ccc(C#N)cc3)C2)C1 ZINC001172308239 815364741 /nfs/dbraw/zinc/36/47/41/815364741.db2.gz VMBSWXAUTKMGHC-AWEZNQCLSA-N 0 3 297.402 2.043 20 30 CEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2ncoc2C2CC2)C1 ZINC001015945633 810378033 /nfs/dbraw/zinc/37/80/33/810378033.db2.gz ISQLINQFNBSDGC-ZDUSSCGKSA-N 0 3 289.379 2.322 20 30 CEEDHN C#Cc1ccccc1CC(=O)N[C@H]1CCN(CC=C(C)C)C1 ZINC001016104872 810399380 /nfs/dbraw/zinc/39/93/80/810399380.db2.gz AKZDUJMRSVJVSO-SFHVURJKSA-N 0 3 296.414 2.367 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC001016287619 810420630 /nfs/dbraw/zinc/42/06/30/810420630.db2.gz STAJEAZBCBZBCA-INIZCTEOSA-N 0 3 297.402 2.408 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001016356500 810427568 /nfs/dbraw/zinc/42/75/68/810427568.db2.gz JFHSKXVFITUYSN-QGZVFWFLSA-N 0 3 282.387 2.391 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cccc(C)c3)[C@@H]2C1 ZINC001084167217 810432454 /nfs/dbraw/zinc/43/24/54/810432454.db2.gz FQNMCTRCDHYVHK-IAGOWNOFSA-N 0 3 282.387 2.165 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001016558806 810452242 /nfs/dbraw/zinc/45/22/42/810452242.db2.gz HGXPNQSDOIGDJD-XUWVNRHRSA-N 0 3 286.419 2.027 20 30 CEEDHN C[C@@H](C#N)C(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001084236614 810453677 /nfs/dbraw/zinc/45/36/77/810453677.db2.gz KZCSKOFGMFIAHV-NUEKZKHPSA-N 0 3 287.407 2.179 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2sccc2F)CC1 ZINC001016602033 810455504 /nfs/dbraw/zinc/45/55/04/810455504.db2.gz QRQNIWVCHWXHPL-GFCCVEGCSA-N 0 3 292.379 2.105 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cocc3C)[C@@H]2C1 ZINC001084584758 810483438 /nfs/dbraw/zinc/48/34/38/810483438.db2.gz DGYXRVODCAJSGZ-UKRRQHHQSA-N 0 3 274.364 2.310 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCC[C@@H]1SCC ZINC001121973084 815372809 /nfs/dbraw/zinc/37/28/09/815372809.db2.gz 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/nfs/dbraw/zinc/58/01/32/810580132.db2.gz DQGLHPNLVSEUTJ-MJBXVCDLSA-N 0 3 260.381 2.038 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC001018109615 810587267 /nfs/dbraw/zinc/58/72/67/810587267.db2.gz GQOLLMLVDVHRDD-XUWVNRHRSA-N 0 3 292.423 2.053 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N[C@H](CC)[C@H]1CCCCO1 ZINC001122053270 815381854 /nfs/dbraw/zinc/38/18/54/815381854.db2.gz ANFLBJQVRDKMGQ-BFHYXJOUSA-N 0 3 268.401 2.134 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C[C@H](C)C3CC3)C[C@@H]21 ZINC001085102802 810596681 /nfs/dbraw/zinc/59/66/81/810596681.db2.gz WXGWNDBWDZAOMT-UAGQMJEPSA-N 0 3 288.435 2.369 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(CC(C)C)s2)C1 ZINC001018978009 810668201 /nfs/dbraw/zinc/66/82/01/810668201.db2.gz XQNSQEZIQIZDDS-ZDUSSCGKSA-N 0 3 290.432 2.384 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc3cscc3s2)C1 ZINC001019160534 810681588 /nfs/dbraw/zinc/68/15/88/810681588.db2.gz CXKKFSWWSBBFDV-NSHDSACASA-N 0 3 290.413 2.400 20 30 CEEDHN 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C=CCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccns1)C2 ZINC001109353011 811864650 /nfs/dbraw/zinc/86/46/50/811864650.db2.gz FIBLPIVWPYHHPU-AGIUHOORSA-N 0 3 291.420 2.444 20 30 CEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C(C)(C)F)C2)CC1 ZINC001047218619 811870230 /nfs/dbraw/zinc/87/02/30/811870230.db2.gz DZNPPDDWBRUCHG-OAHLLOKOSA-N 0 3 294.414 2.318 20 30 CEEDHN CC1(C)C[C@@H]1C(=O)NCCCNCc1ccccc1C#N ZINC001156684316 811880525 /nfs/dbraw/zinc/88/05/25/811880525.db2.gz NCSJSTWBOWYAQJ-OAHLLOKOSA-N 0 3 285.391 2.200 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC1CC1)C2 ZINC001109630687 811918820 /nfs/dbraw/zinc/91/88/20/811918820.db2.gz PANPHAMYUMHPQU-PMPSAXMXSA-N 0 3 274.408 2.312 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)COC ZINC001109767692 811941718 /nfs/dbraw/zinc/94/17/18/811941718.db2.gz GSCTYXONMFKNGO-XGUBFFRZSA-N 0 3 294.439 2.345 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@H]2CN(C[C@@H](F)CC)C[C@H]2C1 ZINC001048982736 812048044 /nfs/dbraw/zinc/04/80/44/812048044.db2.gz 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/nfs/dbraw/zinc/12/00/14/812120014.db2.gz NISYPQPPJXGYHU-UHFFFAOYSA-N 0 3 298.321 2.186 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cscn1 ZINC001049358320 812129027 /nfs/dbraw/zinc/12/90/27/812129027.db2.gz AJHRYZDUGPTTPT-OLZOCXBDSA-N 0 3 277.393 2.008 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC1(C)C ZINC001049425020 812143573 /nfs/dbraw/zinc/14/35/73/812143573.db2.gz JZSPSKKGBRLMRX-QLFBSQMISA-N 0 3 274.408 2.121 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)/C=C/c1ccc[nH]1 ZINC001049440681 812146785 /nfs/dbraw/zinc/14/67/85/812146785.db2.gz UUCPEACNEATTFN-IBHATUTGSA-N 0 3 297.402 2.117 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC(OCC)C1 ZINC001049461278 812151479 /nfs/dbraw/zinc/15/14/79/812151479.db2.gz HOAOWAUSWHMOCG-QDIHITRGSA-N 0 3 292.423 2.053 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC2(CC2)C1 ZINC001049714205 812197885 /nfs/dbraw/zinc/19/78/85/812197885.db2.gz KBYJEGQRPBGMBB-HZPDHXFCSA-N 0 3 286.419 2.265 20 30 CEEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2ccco2)CC1 ZINC001113447652 812242367 /nfs/dbraw/zinc/24/23/67/812242367.db2.gz JKEUFOFFXDHLTO-AWEZNQCLSA-N 0 3 276.380 2.321 20 30 CEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)C[C@@H]3C=CCC3)[C@@H]2C1 ZINC001049967681 812244246 /nfs/dbraw/zinc/24/42/46/812244246.db2.gz KDJBJKGNAWRSSJ-IXDOHACOSA-N 0 3 286.419 2.289 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCCCO1)C2 ZINC001096940142 812301886 /nfs/dbraw/zinc/30/18/86/812301886.db2.gz SBWTWNYMBNBJHI-FPCVCCKLSA-N 0 3 292.423 2.243 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(CC)n1)C2 ZINC001096988156 812308276 /nfs/dbraw/zinc/30/82/76/812308276.db2.gz SAWYUVCNNYUMGA-BZPMIXESSA-N 0 3 289.379 2.148 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)Cc2cc(C)cc(C)c2)CC1 ZINC001052675722 812443942 /nfs/dbraw/zinc/44/39/42/812443942.db2.gz AEBQVMVFGXGIGN-SFHVURJKSA-N 0 3 298.430 2.450 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001052729020 812451545 /nfs/dbraw/zinc/45/15/45/812451545.db2.gz QKJSZWDLDVEDTF-OWCLPIDISA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2csc(C)c2)CC1 ZINC001052792249 812461044 /nfs/dbraw/zinc/46/10/44/812461044.db2.gz PBRINTIOMMNBQS-CQSZACIVSA-N 0 3 276.405 2.274 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H](C)c2ccccc2)CC1 ZINC001052874170 812470948 /nfs/dbraw/zinc/47/09/48/812470948.db2.gz XDCQVNIUDJIKHI-RDJZCZTQSA-N 0 3 284.403 2.394 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@H](C)c2ccccc2)CC1 ZINC001052881293 812471579 /nfs/dbraw/zinc/47/15/79/812471579.db2.gz XDCQVNIUDJIKHI-WBVHZDCISA-N 0 3 284.403 2.394 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC)C1 ZINC001053056010 812485272 /nfs/dbraw/zinc/48/52/72/812485272.db2.gz ALJAGNYTKBYWIL-CABCVRRESA-N 0 3 262.397 2.123 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001130187514 812541054 /nfs/dbraw/zinc/54/10/54/812541054.db2.gz WZFZSGTVTIHQAO-IAGOWNOFSA-N 0 3 284.403 2.299 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C)C(C)(F)F)C2 ZINC001054199128 812549504 /nfs/dbraw/zinc/54/95/04/812549504.db2.gz NWFGKTLNBFICPJ-BBRMVZONSA-N 0 3 298.377 2.225 20 30 CEEDHN CC(C)c1nc(CCN(C)[C@@H]2CC[C@@H](C#N)C2)no1 ZINC001254661265 812565607 /nfs/dbraw/zinc/56/56/07/812565607.db2.gz RDTLBRRJLGCBHR-VXGBXAGGSA-N 0 3 262.357 2.360 20 30 CEEDHN N#Cc1cccc(CNCCNC(=O)C2(F)CCCC2)c1 ZINC001130622497 812591264 /nfs/dbraw/zinc/59/12/64/812591264.db2.gz LWZHTIGBXPVIGQ-UHFFFAOYSA-N 0 3 289.354 2.046 20 30 CEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCCF)C1 ZINC001054683044 812639139 /nfs/dbraw/zinc/63/91/39/812639139.db2.gz ZGURKHOSRKZTNF-KOLCDFICSA-N 0 3 276.783 2.171 20 30 CEEDHN C[C@H](N)c1ccn(C(F)(F)c2nc(Cl)ccc2C#N)n1 ZINC001158349305 812668998 /nfs/dbraw/zinc/66/89/98/812668998.db2.gz ABNAQVPWYKHIKQ-ZETCQYMHSA-N 0 3 297.696 2.420 20 30 CEEDHN CC#CCNCCNC(=O)C[C@@H](CC)CCCC ZINC001131486302 812677690 /nfs/dbraw/zinc/67/76/90/812677690.db2.gz FGMWCWFHGOXWEY-AWEZNQCLSA-N 0 3 252.402 2.322 20 30 CEEDHN Cc1c(C#N)c(N[C@@H](C)[C@H]2CNCCO2)nc2ccccc12 ZINC001170572742 812694246 /nfs/dbraw/zinc/69/42/46/812694246.db2.gz RYWHFYXFHFYAES-BLLLJJGKSA-N 0 3 296.374 2.204 20 30 CEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC ZINC001098009018 812717105 /nfs/dbraw/zinc/71/71/05/812717105.db2.gz BCNRBBHCJOPBQU-LEOABGAYSA-N 0 3 292.423 2.099 20 30 CEEDHN C=CCOCCN1C[C@@H](NC(=O)CC(C)C)CC[C@@H]1C ZINC001131768779 812721176 /nfs/dbraw/zinc/72/11/76/812721176.db2.gz UEKWDYGHUQIMHI-GJZGRUSLSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CCOCC(C)C)CC[C@@H]1C ZINC001131824320 812732739 /nfs/dbraw/zinc/73/27/39/812732739.db2.gz AAOFJPPEQCHCSR-LSDHHAIUSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCOCCN1C[C@H](NC(=O)CCC2CC2)CC[C@H]1C ZINC001131923553 812757098 /nfs/dbraw/zinc/75/70/98/812757098.db2.gz RXLBFKYNWOKMCZ-GDBMZVCRSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)COCCCC)CC[C@H]1C ZINC001131926292 812759581 /nfs/dbraw/zinc/75/95/81/812759581.db2.gz ICFLOINUURNCLR-HUUCEWRRSA-N 0 3 282.428 2.348 20 30 CEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)CCC3CC3)[C@@H]2C1 ZINC001050002500 812768729 /nfs/dbraw/zinc/76/87/29/812768729.db2.gz RNCZAJBZGLLCJU-JKSUJKDBSA-N 0 3 274.408 2.123 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3[nH]ccc3C)[C@@H]2C1 ZINC001050036986 812774039 /nfs/dbraw/zinc/77/40/39/812774039.db2.gz UORYWSXEUHUSAL-UONOGXRCSA-N 0 3 273.380 2.046 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H](C)C(C)(F)F)[C@@H]2C1 ZINC001050144905 812788492 /nfs/dbraw/zinc/78/84/92/812788492.db2.gz RYFCNMIRILQUKL-FRRDWIJNSA-N 0 3 286.366 2.387 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)C2(COC)CCC2)CC[C@@H]1C ZINC001132187232 812797165 /nfs/dbraw/zinc/79/71/65/812797165.db2.gz KJIQOZOTSHPAOL-GJZGRUSLSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)N(CCOC)C1 ZINC001132240899 812813818 /nfs/dbraw/zinc/81/38/18/812813818.db2.gz OMTUGMIIIIDIMX-JKSUJKDBSA-N 0 3 294.439 2.186 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C2(C(C)(F)F)CC2)CC[C@H]1C ZINC001132309881 812827726 /nfs/dbraw/zinc/82/77/26/812827726.db2.gz FQZGLJBDPGNLKT-OLZOCXBDSA-N 0 3 298.377 2.414 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)CCC3CC3)C2)CC1 ZINC001050466027 812829429 /nfs/dbraw/zinc/82/94/29/812829429.db2.gz GTODYPYJZTXBMG-UHFFFAOYSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)C[C@H]3CCC[C@@H]3C)C2)CC1 ZINC001050532775 812836216 /nfs/dbraw/zinc/83/62/16/812836216.db2.gz XAIWUGXCDXAHAF-JKSUJKDBSA-N 0 3 288.435 2.370 20 30 CEEDHN C=CC(C)(C)C(=O)NCCNCc1cccc(F)c1 ZINC001132395814 812838937 /nfs/dbraw/zinc/83/89/37/812838937.db2.gz PWBVBCGCRKLWCN-UHFFFAOYSA-N 0 3 264.344 2.244 20 30 CEEDHN C#CCCCCCC(=O)NCCNCc1scnc1C ZINC001132398496 812839045 /nfs/dbraw/zinc/83/90/45/812839045.db2.gz BRWCWOSXDAZJTA-UHFFFAOYSA-N 0 3 293.436 2.241 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@H](C)C3CCCC3)C2)CC1 ZINC001050728646 812854228 /nfs/dbraw/zinc/85/42/28/812854228.db2.gz RBBQYDDDUIKATC-OAHLLOKOSA-N 0 3 288.435 2.370 20 30 CEEDHN Cc1cocc1C(=O)NCCNCc1ccc(C#N)s1 ZINC001132483476 812867457 /nfs/dbraw/zinc/86/74/57/812867457.db2.gz ZOQFCQWEGIKOBB-UHFFFAOYSA-N 0 3 289.360 2.041 20 30 CEEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1ccc(C)nc1C ZINC001132569288 812894503 /nfs/dbraw/zinc/89/45/03/812894503.db2.gz NWWHKZALLJMSMI-JSGCOSHPSA-N 0 3 289.423 2.362 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001052280099 812962554 /nfs/dbraw/zinc/96/25/54/812962554.db2.gz MEUOJSPOUSHIRX-CAOSSQGBSA-N 0 3 274.408 2.027 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)c2sccc2F)CC1 ZINC001052360408 812980392 /nfs/dbraw/zinc/98/03/92/812980392.db2.gz MYXNWRMKMKDQAN-LBPRGKRZSA-N 0 3 294.395 2.495 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2ccsc2C)CC1 ZINC001052370011 812983748 /nfs/dbraw/zinc/98/37/48/812983748.db2.gz XTCKIHRXABHMMG-ZDUSSCGKSA-N 0 3 276.405 2.274 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@]2(C)CC=CCC2)CC1 ZINC001052410068 812987930 /nfs/dbraw/zinc/98/79/30/812987930.db2.gz BGHPFXPSBAOGNZ-DOTOQJQBSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@H](C)C2CCC2)CC1 ZINC001052484716 812996464 /nfs/dbraw/zinc/99/64/64/812996464.db2.gz ROFJANJDODNDGD-HIFRSBDPSA-N 0 3 262.397 2.027 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H](C)C2CCC2)CC1 ZINC001052485751 812997458 /nfs/dbraw/zinc/99/74/58/812997458.db2.gz CSPJCNXXOYNDBG-GDBMZVCRSA-N 0 3 276.424 2.417 20 30 CEEDHN CCC(C)(C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001133167881 813004187 /nfs/dbraw/zinc/00/41/87/813004187.db2.gz WPXVNIWKOKRKNP-UHFFFAOYSA-N 0 3 273.380 2.200 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)[C@H]2CCC2(C)C)CC1 ZINC001052635808 813018752 /nfs/dbraw/zinc/01/87/52/813018752.db2.gz LVAAODBRFUULTA-ZIAGYGMSSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)C[C@H]2CCCC2(F)F)CC1 ZINC001052656604 813021637 /nfs/dbraw/zinc/02/16/37/813021637.db2.gz NWJBTDFRIDMPOT-ZIAGYGMSSA-N 0 3 298.377 2.416 20 30 CEEDHN C=C[C@](C)(CC)C(=O)NCCNCc1scnc1C ZINC001133378622 813041575 /nfs/dbraw/zinc/04/15/75/813041575.db2.gz ITDYICDURWEBPY-CQSZACIVSA-N 0 3 281.425 2.260 20 30 CEEDHN CC#CCNCCNC(=O)c1ccc(F)c2ccccc12 ZINC001134171422 813222717 /nfs/dbraw/zinc/22/27/17/813222717.db2.gz WJINMEZGRAZBPR-UHFFFAOYSA-N 0 3 284.334 2.322 20 30 CEEDHN CC#CCNCCNC(=O)CCc1cc(Cl)cs1 ZINC001134464014 813275270 /nfs/dbraw/zinc/27/52/70/813275270.db2.gz BHSZNBGEXAQPCC-UHFFFAOYSA-N 0 3 284.812 2.063 20 30 CEEDHN CC(C)[C@H](C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001134655781 813306937 /nfs/dbraw/zinc/30/69/37/813306937.db2.gz NITPWRCYHCRKFJ-ZDUSSCGKSA-N 0 3 273.380 2.056 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)Cc2cccs2)CC[C@@H]1C ZINC001071312253 813360529 /nfs/dbraw/zinc/36/05/29/813360529.db2.gz IAWSPCZPEWQEHC-UONOGXRCSA-N 0 3 290.432 2.283 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C)o2)CC[C@H]1C ZINC001071331364 813367606 /nfs/dbraw/zinc/36/76/06/813367606.db2.gz BOOZCEYKOSKWRO-OCCSQVGLSA-N 0 3 274.364 2.194 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(F)nc2)CC[C@@H]1C ZINC001071386363 813385731 /nfs/dbraw/zinc/38/57/31/813385731.db2.gz PDTUSAQLFMTGGK-GXTWGEPZSA-N 0 3 291.370 2.380 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)c2oc(C)nc2C)CC[C@@H]1C ZINC001071407366 813395313 /nfs/dbraw/zinc/39/53/13/813395313.db2.gz ZRXVMAKKRJKPMQ-FZMZJTMJSA-N 0 3 291.395 2.450 20 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OFNDYVLIFKWTSV-ZFWWWQNUSA-N 0 3 274.408 2.169 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cncc(CC)c2)CC[C@H]1C ZINC001071685492 813464088 /nfs/dbraw/zinc/46/40/88/813464088.db2.gz COWFJACOUXOQQW-RHSMWYFYSA-N 0 3 299.418 2.250 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C#C)cc2)CC[C@H]1C ZINC001071731453 813471377 /nfs/dbraw/zinc/47/13/77/813471377.db2.gz DPYFEXMGXHSHLQ-QAPCUYQASA-N 0 3 294.398 2.274 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)N(CC)C2)C1 ZINC001071803740 813486735 /nfs/dbraw/zinc/48/67/35/813486735.db2.gz QOVWNZMGIZHTTP-OLZOCXBDSA-N 0 3 250.386 2.332 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccco2)CC[C@@H]1C ZINC001071916441 813513535 /nfs/dbraw/zinc/51/35/35/813513535.db2.gz MADHBEYBYKJBPX-UONOGXRCSA-N 0 3 276.380 2.367 20 30 CEEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oncc1C)C2 ZINC001098140457 813582572 /nfs/dbraw/zinc/58/25/72/813582572.db2.gz LZFKECZYSCLIID-MCIONIFRSA-N 0 3 289.379 2.284 20 30 CEEDHN CC[C@@]1(C)C[C@@H]1C(=O)NCCNCc1cccc(C#N)c1 ZINC001136088034 813604731 /nfs/dbraw/zinc/60/47/31/813604731.db2.gz RXUJSIKQUMMRHH-WBVHZDCISA-N 0 3 285.391 2.200 20 30 CEEDHN C=CCn1cccc1C(=O)N1CC2(C1)CCN(CC=C)C2 ZINC001072817086 813665365 /nfs/dbraw/zinc/66/53/65/813665365.db2.gz OZPFMSVAQLCPTJ-UHFFFAOYSA-N 0 3 285.391 2.008 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC001072856080 813674172 /nfs/dbraw/zinc/67/41/72/813674172.db2.gz UTDUAHFHJYSABZ-ZDUSSCGKSA-N 0 3 264.413 2.389 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)C2)C1 ZINC001072875560 813678951 /nfs/dbraw/zinc/67/89/51/813678951.db2.gz SKYLWJBZCQWYJU-ILXRZTDVSA-N 0 3 274.408 2.143 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)COC3CCCCC3)C2)C1 ZINC001072885049 813682434 /nfs/dbraw/zinc/68/24/34/813682434.db2.gz WALGHINPUVZBNL-UHFFFAOYSA-N 0 3 292.423 2.056 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3ccn(CC)c3C)C2)C1 ZINC001072906115 813687824 /nfs/dbraw/zinc/68/78/24/813687824.db2.gz LCWHCJZKKOVLPH-UHFFFAOYSA-N 0 3 287.407 2.150 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(F)c(C)c3)C2)C1 ZINC001072929361 813692377 /nfs/dbraw/zinc/69/23/77/813692377.db2.gz GHPACBZYHABGNH-UHFFFAOYSA-N 0 3 288.366 2.468 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C3CCC(=C)CC3)C2)C1 ZINC001072946872 813699024 /nfs/dbraw/zinc/69/90/24/813699024.db2.gz RKBBMPNEZGAVNT-UHFFFAOYSA-N 0 3 274.408 2.453 20 30 CEEDHN C=CCCCC(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC001136499956 813710869 /nfs/dbraw/zinc/71/08/69/813710869.db2.gz WDXURCBLDOWHGW-UHFFFAOYSA-N 0 3 298.427 2.075 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3ccc4c(c3)COC4)C2)C1 ZINC001073051296 813717069 /nfs/dbraw/zinc/71/70/69/813717069.db2.gz XUYSRJCBDGNBSR-UHFFFAOYSA-N 0 3 298.386 2.051 20 30 CEEDHN COC(=O)c1ccc(C(=N)Nc2ccc3c(c2)CCO3)cc1 ZINC001170985792 813721810 /nfs/dbraw/zinc/72/18/10/813721810.db2.gz ZXIUVHRAKYAXEW-UHFFFAOYSA-N 0 3 296.326 2.445 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3C[C@]3(C)C(C)C)C2)C1 ZINC001073096020 813725660 /nfs/dbraw/zinc/72/56/60/813725660.db2.gz NIOWTEFXVVJOEG-NVXWUHKLSA-N 0 3 288.435 2.226 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3ncoc3C(C)C)C2)C1 ZINC001073107406 813727906 /nfs/dbraw/zinc/72/79/06/813727906.db2.gz MLCOJMKOHYYQNC-UHFFFAOYSA-N 0 3 289.379 2.132 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3c(F)cccc3F)C2)C1 ZINC001073148845 813731931 /nfs/dbraw/zinc/73/19/31/813731931.db2.gz KESKUKHWIBXCBX-UHFFFAOYSA-N 0 3 292.329 2.299 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@H](C)C3CC3)C2)C1 ZINC001073464022 813755698 /nfs/dbraw/zinc/75/56/98/813755698.db2.gz WNVAQOZRVFGICG-ZDUSSCGKSA-N 0 3 262.397 2.143 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2ccc(C)o2)C1 ZINC001100251343 813794366 /nfs/dbraw/zinc/79/43/66/813794366.db2.gz MFYBPNXSNJCSMS-UHFFFAOYSA-N 0 3 296.798 2.367 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cncc(F)c2)C1 ZINC001090976191 813953935 /nfs/dbraw/zinc/95/39/35/813953935.db2.gz UWXCMCHVKMOPMK-UHFFFAOYSA-N 0 3 297.761 2.071 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2[nH]c(C)cc2C)C1 ZINC001098903899 813963772 /nfs/dbraw/zinc/96/37/72/813963772.db2.gz MMJYDCIIXNJUHR-YJBOKZPZSA-N 0 3 299.418 2.239 20 30 CEEDHN C#CCCCC(=O)NC[C@@H]1CCC(C)(C)CN1CCOC ZINC001099043318 813980750 /nfs/dbraw/zinc/98/07/50/813980750.db2.gz NAAMGANLRLDGBS-HNNXBMFYSA-N 0 3 294.439 2.043 20 30 CEEDHN C=C(C(=O)NCCc1cnc2cc[nH]cc1-2)C(F)(F)F ZINC001144215102 813992064 /nfs/dbraw/zinc/99/20/64/813992064.db2.gz HTGJMOBMODGBPU-UHFFFAOYSA-N 0 3 283.253 2.340 20 30 CEEDHN C=C(C(=O)NCCc1c[nH]c2ccncc12)C(F)(F)F ZINC001144215102 813992070 /nfs/dbraw/zinc/99/20/70/813992070.db2.gz HTGJMOBMODGBPU-UHFFFAOYSA-N 0 3 283.253 2.340 20 30 CEEDHN C=C(Cc1ccccc1)C(=O)N[C@@]1(C)CCCN(C)C1 ZINC001144405262 814055880 /nfs/dbraw/zinc/05/58/80/814055880.db2.gz KKHBVDJBNRXSFA-KRWDZBQOSA-N 0 3 272.392 2.386 20 30 CEEDHN Cc1cnc(CN[C@H](C)Cc2cccc(C#N)c2)cn1 ZINC001171175220 814056533 /nfs/dbraw/zinc/05/65/33/814056533.db2.gz IWJIBFUXRDNSKH-GFCCVEGCSA-N 0 3 266.348 2.378 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cnccn1 ZINC001171179905 814059925 /nfs/dbraw/zinc/05/99/25/814059925.db2.gz YRJWXIDLRGWBMM-GFCCVEGCSA-N 0 3 252.321 2.069 20 30 CEEDHN C=CCCC(=O)NCC1CC(NCc2cncs2)C1 ZINC001100176717 814069533 /nfs/dbraw/zinc/06/95/33/814069533.db2.gz BCFXNXGFYYXYDH-UHFFFAOYSA-N 0 3 279.409 2.094 20 30 CEEDHN C#Cc1ccc(CN2CC[C@@H](Oc3cnccn3)C2)cc1 ZINC001144581486 814117029 /nfs/dbraw/zinc/11/70/29/814117029.db2.gz SROFCVDYTQUJKD-MRXNPFEDSA-N 0 3 279.343 2.111 20 30 CEEDHN C#Cc1ccc(CN2CCc3ncnc(OC)c3CC2)cc1 ZINC001144571697 814119300 /nfs/dbraw/zinc/11/93/00/814119300.db2.gz FLPUUWPDQRTBAM-UHFFFAOYSA-N 0 3 293.370 2.067 20 30 CEEDHN C#Cc1ccc(CN2CCC3(CCCNC3=O)CC2)cc1 ZINC001144576245 814120040 /nfs/dbraw/zinc/12/00/40/814120040.db2.gz GVCXOCYSDGTQJH-UHFFFAOYSA-N 0 3 282.387 2.160 20 30 CEEDHN C=CCCCC(=O)NCC1CC(NCc2cncs2)C1 ZINC001100623465 814160469 /nfs/dbraw/zinc/16/04/69/814160469.db2.gz PCJYWUHMLMNQMA-UHFFFAOYSA-N 0 3 293.436 2.484 20 30 CEEDHN COC(=O)C1CCN([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171209988 814161411 /nfs/dbraw/zinc/16/14/11/814161411.db2.gz OPVLNTDRKYKSQZ-ZDUSSCGKSA-N 0 3 286.375 2.374 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(C)co2)C1 ZINC001091194313 814172074 /nfs/dbraw/zinc/17/20/74/814172074.db2.gz PNQHLVOHVCJFQG-UHFFFAOYSA-N 0 3 282.771 2.439 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)n1c2c(sc1=N)CNCC2 ZINC001171223271 814187709 /nfs/dbraw/zinc/18/77/09/814187709.db2.gz LSIIRMXIHYKWOX-NSHDSACASA-N 0 3 298.415 2.350 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccccc3C)C[C@]2(C)C1 ZINC001091447498 814245902 /nfs/dbraw/zinc/24/59/02/814245902.db2.gz LOMJVZCXZRGVEG-QAPCUYQASA-N 0 3 282.387 2.022 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)CC(C)=C(C)C)C[C@]2(C)C1 ZINC001101326474 814248307 /nfs/dbraw/zinc/24/83/07/814248307.db2.gz VMZDJGLTBXDFED-WBVHZDCISA-N 0 3 274.408 2.146 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)CC(C)C)C[C@]2(C)C1 ZINC001101407202 814256053 /nfs/dbraw/zinc/25/60/53/814256053.db2.gz SPSVXDXEXQYRKR-UXLLHSPISA-N 0 3 276.424 2.082 20 30 CEEDHN C=CCN1CCC[C@H]1CNc1ncc(C)cc1OC ZINC001160953779 814281929 /nfs/dbraw/zinc/28/19/29/814281929.db2.gz JWEIGPANQIXEKN-ZDUSSCGKSA-N 0 3 261.369 2.461 20 30 CEEDHN CC#CCNCCNC(=O)[C@H](C)c1ccc(Cl)s1 ZINC001147161366 814393665 /nfs/dbraw/zinc/39/36/65/814393665.db2.gz MPMYVJRNBUCJGD-SNVBAGLBSA-N 0 3 284.812 2.234 20 30 CEEDHN CC#CCNCCNC(=O)CC(C)(C)CC(F)(F)F ZINC001149155105 814415797 /nfs/dbraw/zinc/41/57/97/814415797.db2.gz MZVHSOODZVCFST-UHFFFAOYSA-N 0 3 278.318 2.084 20 30 CEEDHN C#CCCCCC(=O)NCC[C@@H]1CN(CCF)C[C@H]1C ZINC001102883430 814438299 /nfs/dbraw/zinc/43/82/99/814438299.db2.gz QHHDXYKPTVGFDO-HUUCEWRRSA-N 0 3 282.403 2.224 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@@H](OCC)C(=C)C)C2)C1 ZINC001147647575 814474273 /nfs/dbraw/zinc/47/42/73/814474273.db2.gz WCFPIVJKNSLIBF-OAHLLOKOSA-N 0 3 292.423 2.078 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCC2CCC2)C1 ZINC001111691554 814596274 /nfs/dbraw/zinc/59/62/74/814596274.db2.gz SINPKNYRWXIGAH-RDJZCZTQSA-N 0 3 274.408 2.171 20 30 CEEDHN Cc1cc(NC(=O)[C@@H](N)CCCC#N)cnc1Cl ZINC000691598875 814597181 /nfs/dbraw/zinc/59/71/81/814597181.db2.gz KNBCZUGFQJEOKV-JTQLQIEISA-N 0 3 266.732 2.003 20 30 CEEDHN C#CCCCCCC(=O)N[C@]12CCC[C@H]1CN(CC#C)C2 ZINC001111830612 814616959 /nfs/dbraw/zinc/61/69/59/814616959.db2.gz MHHYUJWUEPVWSO-WMZOPIPTSA-N 0 3 286.419 2.174 20 30 CEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C(C)(C)F)C2)CC1 ZINC001086897524 814641475 /nfs/dbraw/zinc/64/14/75/814641475.db2.gz MGMQTQLGPHNVMA-CQSZACIVSA-N 0 3 294.414 2.461 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CC3CC3)C2)CC1 ZINC001086896878 814644765 /nfs/dbraw/zinc/64/47/65/814644765.db2.gz WQRCNUYNFVPNEI-CQSZACIVSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](C)SC)C2)CC1 ZINC001086904863 814647766 /nfs/dbraw/zinc/64/77/66/814647766.db2.gz OBOLXADUERZCKS-KGLIPLIRSA-N 0 3 294.464 2.074 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CN(CC#CC)C[C@@]2(C)C1 ZINC001091980440 814686212 /nfs/dbraw/zinc/68/62/12/814686212.db2.gz DFKOJFAKNMWQBA-NJAFHUGGSA-N 0 3 288.435 2.392 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)c3ccccc3)C[C@]2(C)C1 ZINC001092207010 814696821 /nfs/dbraw/zinc/69/68/21/814696821.db2.gz YIVZUNLRHSTXTN-WDYCEAGBSA-N 0 3 296.414 2.204 20 30 CEEDHN N#CCC1CCC(NC(=N)c2ccc(F)cn2)CC1 ZINC001173329516 815677145 /nfs/dbraw/zinc/67/71/45/815677145.db2.gz JIWUXUJQBCNIAC-UHFFFAOYSA-N 0 3 260.316 2.398 20 30 CEEDHN C[C@@]1(O)CCN(C2CCC(CC#N)CC2)C[C@@H]1F ZINC001173332268 815679410 /nfs/dbraw/zinc/67/94/10/815679410.db2.gz YJHNLEAGJYDFRG-CLRIEMFWSA-N 0 3 254.349 2.254 20 30 CEEDHN CC1(C#N)CCC(N2CCN(CCF)CC2)CC1 ZINC001173599186 815758474 /nfs/dbraw/zinc/75/84/74/815758474.db2.gz HZSNMAQSFPXZGT-UHFFFAOYSA-N 0 3 253.365 2.046 20 30 CEEDHN CCCCN(CCC#N)[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173761969 815815185 /nfs/dbraw/zinc/81/51/85/815815185.db2.gz XNHXVIKCENDNKH-UONOGXRCSA-N 0 3 276.388 2.173 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@](C)(CO)C2)c1[O-] ZINC001138625813 815847197 /nfs/dbraw/zinc/84/71/97/815847197.db2.gz UCKKKINAQCTKMX-INIZCTEOSA-N 0 3 261.365 2.325 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@](C)(CO)C2)c1[O-] ZINC001138625813 815847206 /nfs/dbraw/zinc/84/72/06/815847206.db2.gz UCKKKINAQCTKMX-INIZCTEOSA-N 0 3 261.365 2.325 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CCN(C)[C@H](C)C2)c1[O-] ZINC001138628399 815849061 /nfs/dbraw/zinc/84/90/61/815849061.db2.gz UFNLOBMVNZLSKH-CYBMUJFWSA-N 0 3 260.381 2.257 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CCN(C)[C@H](C)C2)c1[O-] ZINC001138628399 815849068 /nfs/dbraw/zinc/84/90/68/815849068.db2.gz UFNLOBMVNZLSKH-CYBMUJFWSA-N 0 3 260.381 2.257 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)CC2CC(F)(F)C2)C1 ZINC001276398034 815976191 /nfs/dbraw/zinc/97/61/91/815976191.db2.gz UFLSTDKHYDJQKF-LLVKDONJSA-N 0 3 286.366 2.434 20 30 CEEDHN C#C[C@H]1CCCN(Cc2cnc3cccnc3c2)C1 ZINC001139742662 816101587 /nfs/dbraw/zinc/10/15/87/816101587.db2.gz HKSYZBOIJTYJHN-ZDUSSCGKSA-N 0 3 251.333 2.475 20 30 CEEDHN C=CCn1cc(CN2CCC3(C[C@@H](F)CO3)CC2)cn1 ZINC001139770800 816112000 /nfs/dbraw/zinc/11/20/00/816112000.db2.gz BJPGZKBDXWLGFS-CQSZACIVSA-N 0 3 279.359 2.162 20 30 CEEDHN C=CCn1cc(CN2CC[C@@H](c3cccnc3)C2)cn1 ZINC001139770701 816112087 /nfs/dbraw/zinc/11/20/87/816112087.db2.gz XOTGFEUXVMCEMM-MRXNPFEDSA-N 0 3 268.364 2.454 20 30 CEEDHN C=CCn1cc(CN2CC[C@@H](N3CCCC3)[C@@H](F)C2)cn1 ZINC001139774602 816112131 /nfs/dbraw/zinc/11/21/31/816112131.db2.gz NWIWSVNOLOAQOO-JKSUJKDBSA-N 0 3 292.402 2.077 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)CC[C@@H]1CCCCO1 ZINC001139870007 816131176 /nfs/dbraw/zinc/13/11/76/816131176.db2.gz WDKQKGJPUOHQTQ-HNNXBMFYSA-N 0 3 282.428 2.302 20 30 CEEDHN C[C@H]1CN(Cc2ccc(C#N)cc2F)CCC[C@H]1O ZINC001140136271 816199202 /nfs/dbraw/zinc/19/92/02/816199202.db2.gz RUIUMBAWSFFUBB-XHDPSFHLSA-N 0 3 262.328 2.290 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)CCc1ccncc1C ZINC001175897510 816296186 /nfs/dbraw/zinc/29/61/86/816296186.db2.gz KIIQDBLZAJQXGV-INIZCTEOSA-N 0 3 287.407 2.089 20 30 CEEDHN N#Cc1ccc(Cl)c(CN2CC(N3CCCC3)C2)c1 ZINC001140601268 816298319 /nfs/dbraw/zinc/29/83/19/816298319.db2.gz KQSZSKWPQURXIM-UHFFFAOYSA-N 0 3 275.783 2.492 20 30 CEEDHN Cc1c(O)ccc(CN2CCC3SC(=O)C=C3C2)c1O ZINC001140744089 816339863 /nfs/dbraw/zinc/33/98/63/816339863.db2.gz LPSLOTMTCOPXHR-CYBMUJFWSA-N 0 3 291.372 2.180 20 30 CEEDHN Nc1cccc(F)c1CN1CCC2SC(=O)C=C2C1 ZINC001140873803 816393406 /nfs/dbraw/zinc/39/34/06/816393406.db2.gz SFEUYNMOLAWYTA-ZDUSSCGKSA-N 0 3 278.352 2.182 20 30 CEEDHN N#CCC1CCN(Cc2ccn3ccnc3c2)CC1 ZINC001141045934 816458445 /nfs/dbraw/zinc/45/84/45/816458445.db2.gz GHEWEUYDFPAVKL-UHFFFAOYSA-N 0 3 254.337 2.460 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)CCCn1cccc1 ZINC001176790394 816471376 /nfs/dbraw/zinc/47/13/76/816471376.db2.gz LSQLJERMTJEZOU-UHFFFAOYSA-N 0 3 283.803 2.117 20 30 CEEDHN CC(=O)N1CC[C@H](NCC#Cc2cccc(Cl)c2)[C@@H]1C ZINC001178012170 816657913 /nfs/dbraw/zinc/65/79/13/816657913.db2.gz DTRCDBTYRMMEAK-LRDDRELGSA-N 0 3 290.794 2.290 20 30 CEEDHN CC#CCNCCNC(=O)c1ccccc1C1CCC1 ZINC001149365198 816852845 /nfs/dbraw/zinc/85/28/45/816852845.db2.gz YEXHJIKFMLBTQM-UHFFFAOYSA-N 0 3 270.376 2.297 20 30 CEEDHN C=CCCOCC(=O)N(CCN(C)C)C1CCCCC1 ZINC000620856747 349445122 /nfs/dbraw/zinc/44/51/22/349445122.db2.gz OTKCAJZKQYYING-UHFFFAOYSA-N 0 3 282.428 2.302 20 30 CEEDHN Cc1ccc(C)c(OC[C@@H](O)CNCCCC#N)c1C ZINC000573318014 334927228 /nfs/dbraw/zinc/92/72/28/334927228.db2.gz CCFFAZWDKHSMQY-HNNXBMFYSA-N 0 3 276.380 2.245 20 30 CEEDHN Cn1nc2c(c1CN[C@@H]1CCC[C@@H](C#N)C1)CCCC2 ZINC000336344332 365560531 /nfs/dbraw/zinc/56/05/31/365560531.db2.gz DMHNECWHRGAGQK-CHWSQXEVSA-N 0 3 272.396 2.471 20 30 CEEDHN C=CCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000121412060 365566144 /nfs/dbraw/zinc/56/61/44/365566144.db2.gz PNPSLCNYOSEFDG-UHFFFAOYSA-N 0 3 293.323 2.050 20 30 CEEDHN N#Cc1cccc(OCCN2CCCC[C@H]2CCO)c1 ZINC000034674205 361793547 /nfs/dbraw/zinc/79/35/47/361793547.db2.gz NKRZJSRIKBUAKT-HNNXBMFYSA-N 0 3 274.364 2.174 20 30 CEEDHN CCc1nnc(NC[C@H]2CCCN(C)C2)c(C#N)c1CC ZINC000124948658 187162935 /nfs/dbraw/zinc/16/29/35/187162935.db2.gz JAFAQLQFHSIYCE-GFCCVEGCSA-N 0 3 287.411 2.227 20 30 CEEDHN C=CCSCCN[C@H](c1nccn1C)C1CC1 ZINC000122871032 365632811 /nfs/dbraw/zinc/63/28/11/365632811.db2.gz WFGDMXWFMMPJAE-LBPRGKRZSA-N 0 3 251.399 2.380 20 30 CEEDHN CCN(CCC#N)C(=O)CN1C[C@H](C)CCC[C@@H]1C ZINC000125194885 365667991 /nfs/dbraw/zinc/66/79/91/365667991.db2.gz FNUGISCJSHTXPS-KGLIPLIRSA-N 0 3 265.401 2.259 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000125432789 365675170 /nfs/dbraw/zinc/67/51/70/365675170.db2.gz MSRIIBPRXMPEKP-WWGRRREGSA-N 0 3 277.412 2.305 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000125416737 365675840 /nfs/dbraw/zinc/67/58/40/365675840.db2.gz HEYCXBYXGHBZFH-WDEREUQCSA-N 0 3 296.317 2.077 20 30 CEEDHN CC1CCN(CCNCc2cccc(C#N)c2)CC1 ZINC000040771210 361996938 /nfs/dbraw/zinc/99/69/38/361996938.db2.gz YCCCFVMSTKNEBN-UHFFFAOYSA-N 0 3 257.381 2.380 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000332365678 529446978 /nfs/dbraw/zinc/44/69/78/529446978.db2.gz KNATWNPOOCUCAM-GXTWGEPZSA-N 0 3 263.385 2.202 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000601774758 346895283 /nfs/dbraw/zinc/89/52/83/346895283.db2.gz DLDBHCKDCZDRCB-HNNXBMFYSA-N 0 3 289.383 2.028 20 30 CEEDHN C=CCC[C@@H](CO)N[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000621763217 349695373 /nfs/dbraw/zinc/69/53/73/349695373.db2.gz UBEUNBHBCRITMV-GOEBONIOSA-N 0 3 288.391 2.401 20 30 CEEDHN C[C@@H](O)C[C@@H]1CCCN1CCOc1ccccc1C#N ZINC000269863883 190561101 /nfs/dbraw/zinc/56/11/01/190561101.db2.gz WRYFCGPIDLZPMR-HIFRSBDPSA-N 0 3 274.364 2.172 20 30 CEEDHN C=CCC(CC=C)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000129101586 539256873 /nfs/dbraw/zinc/25/68/73/539256873.db2.gz DIUCRBTXWZCKBC-UHFFFAOYSA-N 0 3 276.384 2.152 20 30 CEEDHN C=CCOCCNCc1cncc(Br)c1 ZINC000308790784 539268920 /nfs/dbraw/zinc/26/89/20/539268920.db2.gz IEZOQHKZFJIDHQ-UHFFFAOYSA-N 0 3 271.158 2.136 20 30 CEEDHN C[C@@H]1CSC[C@H]1NCc1cnc2ccc(C#N)cn12 ZINC000336619110 365728384 /nfs/dbraw/zinc/72/83/84/365728384.db2.gz OOUAXGBAARSJCK-ZWNOBZJWSA-N 0 3 272.377 2.047 20 30 CEEDHN CCc1nc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)co1 ZINC000330078140 529705101 /nfs/dbraw/zinc/70/51/01/529705101.db2.gz HWKZXGOQHRXMOE-GXSJLCMTSA-N 0 3 263.341 2.024 20 30 CEEDHN C[C@@H](C1CC1)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000030971276 343406360 /nfs/dbraw/zinc/40/63/60/343406360.db2.gz BVHXZJPWUMRJTQ-LBPRGKRZSA-N 0 3 263.385 2.059 20 30 CEEDHN Cc1occc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000041562753 343441967 /nfs/dbraw/zinc/44/19/67/343441967.db2.gz MLXKUFKBZQOYHZ-LBPRGKRZSA-N 0 3 255.277 2.485 20 30 CEEDHN Cc1occc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000041562750 343441693 /nfs/dbraw/zinc/44/16/93/343441693.db2.gz MLXKUFKBZQOYHZ-GFCCVEGCSA-N 0 3 255.277 2.485 20 30 CEEDHN C[C@@H]1C[C@H](C)CCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000127485152 365749260 /nfs/dbraw/zinc/74/92/60/365749260.db2.gz YKDBUFNXZZDPPT-HUUCEWRRSA-N 0 3 290.411 2.010 20 30 CEEDHN C[C@@H](CNC(=O)c1cccc(C#N)c1)N1CCC[C@H](C)C1 ZINC000046952892 343507712 /nfs/dbraw/zinc/50/77/12/343507712.db2.gz DONNMJRWLQYCMV-KBPBESRZSA-N 0 3 285.391 2.408 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@@H]1Cc1ccc(OC)cc1 ZINC000052133391 343556297 /nfs/dbraw/zinc/55/62/97/343556297.db2.gz LOUGZLBFQHIMMW-OAHLLOKOSA-N 0 3 288.391 2.004 20 30 CEEDHN C[C@H](NC(=O)N[C@H]1CCCN(C)C1)c1ccc(C#N)cc1 ZINC000052548100 343563085 /nfs/dbraw/zinc/56/30/85/343563085.db2.gz JLAYDDMPNVWARU-WFASDCNBSA-N 0 3 286.379 2.013 20 30 CEEDHN C=CCOCCN[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000679576870 539328915 /nfs/dbraw/zinc/32/89/15/539328915.db2.gz WSANUNJTLMJOSQ-GFCCVEGCSA-N 0 3 274.364 2.425 20 30 CEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(C#N)cc1 ZINC000055400679 343602823 /nfs/dbraw/zinc/60/28/23/343602823.db2.gz PMDBOBGQENKNNT-ZIAGYGMSSA-N 0 3 285.391 2.408 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc3[nH]c(C)nc3c2)CC1 ZINC000057153070 343625187 /nfs/dbraw/zinc/62/51/87/343625187.db2.gz GFXZIWFKYQRIFN-UHFFFAOYSA-N 0 3 296.374 2.155 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc3nc(C)[nH]c3c2)CC1 ZINC000057153070 343625190 /nfs/dbraw/zinc/62/51/90/343625190.db2.gz GFXZIWFKYQRIFN-UHFFFAOYSA-N 0 3 296.374 2.155 20 30 CEEDHN CCCN1C[C@@H](CNCc2cccc(F)c2C#N)CC1=O ZINC000602020264 346962532 /nfs/dbraw/zinc/96/25/32/346962532.db2.gz OQTYEDGWFATIHV-GFCCVEGCSA-N 0 3 289.354 2.045 20 30 CEEDHN N#Cc1c(F)cccc1CN[C@H]1CCC[C@H](CO)C1 ZINC000602022109 346962774 /nfs/dbraw/zinc/96/27/74/346962774.db2.gz WNUMRJOSODQOML-AAEUAGOBSA-N 0 3 262.328 2.338 20 30 CEEDHN N#Cc1c(F)cccc1CN[C@H]1CC[C@@H](CO)CC1 ZINC000602015176 346959856 /nfs/dbraw/zinc/95/98/56/346959856.db2.gz YQZFXHSJSPNDPR-BJHJDKERSA-N 0 3 262.328 2.338 20 30 CEEDHN CCCN(CCC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000070926440 343797266 /nfs/dbraw/zinc/79/72/66/343797266.db2.gz QIBNHPLCEAGSMB-CQSZACIVSA-N 0 3 253.390 2.163 20 30 CEEDHN C#CCOc1ccc(CNC[C@@H](OC)C(C)C)cc1 ZINC000072924723 343814942 /nfs/dbraw/zinc/81/49/42/343814942.db2.gz DBFZJVDOTQOFJF-MRXNPFEDSA-N 0 3 261.365 2.459 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccon1)C(C)C ZINC000073640562 343831807 /nfs/dbraw/zinc/83/18/07/343831807.db2.gz SPNJFMFSMJSCIC-HNNXBMFYSA-N 0 3 291.395 2.032 20 30 CEEDHN CN(CCN(C)C1CC1)Cc1ccc(CC#N)cc1 ZINC000351969002 529903466 /nfs/dbraw/zinc/90/34/66/529903466.db2.gz NNXHKBWWDGHOLD-UHFFFAOYSA-N 0 3 257.381 2.279 20 30 CEEDHN CN(CCN1CCCC1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000347533047 529908444 /nfs/dbraw/zinc/90/84/44/529908444.db2.gz WPUUKYNEBBQWJC-UHFFFAOYSA-N 0 3 297.402 2.410 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H](N3CCCC3)C2)s1 ZINC000127061293 187279263 /nfs/dbraw/zinc/27/92/63/187279263.db2.gz SISBQPXYEHHWQC-GFCCVEGCSA-N 0 3 261.394 2.290 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000091510881 344166727 /nfs/dbraw/zinc/16/67/27/344166727.db2.gz LJUZFYBAWOTLLO-MRXNPFEDSA-N 0 3 295.471 2.217 20 30 CEEDHN N#Cc1cc(F)ccc1NC1CCN([C@H]2CCOC2)CC1 ZINC000089602682 344125998 /nfs/dbraw/zinc/12/59/98/344125998.db2.gz XEEOIRJXZWFDDG-HNNXBMFYSA-N 0 3 289.354 2.363 20 30 CEEDHN CCC(C#N)(CC)C(=O)NC[C@H](N)c1ccccc1 ZINC000602429645 347029220 /nfs/dbraw/zinc/02/92/20/347029220.db2.gz QYTWWPSBJNWQDX-ZDUSSCGKSA-N 0 3 259.353 2.133 20 30 CEEDHN CC(C)CN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000049442359 362362213 /nfs/dbraw/zinc/36/22/13/362362213.db2.gz JHQZJJLYCXCMCZ-ZDUSSCGKSA-N 0 3 265.401 2.305 20 30 CEEDHN C=C[C@H](C)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093136384 344214647 /nfs/dbraw/zinc/21/46/47/344214647.db2.gz HJYSKJMRPITOSZ-ZDUSSCGKSA-N 0 3 288.395 2.172 20 30 CEEDHN Cc1noc([C@@H]2CCCN(C[C@H](C)CCC#N)C2)n1 ZINC000602444986 347035494 /nfs/dbraw/zinc/03/54/94/347035494.db2.gz KUKFXFVOCHIQRN-DGCLKSJQSA-N 0 3 262.357 2.497 20 30 CEEDHN C=C(C)COc1cc(CN2CC[C@H](CO)C2)ccc1OC ZINC000092764964 344202967 /nfs/dbraw/zinc/20/29/67/344202967.db2.gz ILBKUAJHOKPCQT-HNNXBMFYSA-N 0 3 291.391 2.464 20 30 CEEDHN N#Cc1ccccc1OCCN1CCCCC[C@@H]1CO ZINC000133522951 344369103 /nfs/dbraw/zinc/36/91/03/344369103.db2.gz VUCVFPYKXWKKJC-OAHLLOKOSA-N 0 3 274.364 2.174 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000050024868 362390009 /nfs/dbraw/zinc/39/00/09/362390009.db2.gz VFQILNIJWSJTHJ-AWEZNQCLSA-N 0 3 270.376 2.209 20 30 CEEDHN CN(CCCC#N)CCN1CCN(c2ccccc2)CC1 ZINC000157722943 344447746 /nfs/dbraw/zinc/44/77/46/344447746.db2.gz WGCIJJURLLKEGQ-UHFFFAOYSA-N 0 3 286.423 2.044 20 30 CEEDHN C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)C1CCC1 ZINC000228590483 344561681 /nfs/dbraw/zinc/56/16/81/344561681.db2.gz BBCWLLYYQUTMGF-GFCCVEGCSA-N 0 3 292.404 2.110 20 30 CEEDHN N#Cc1cccc(CNCCc2ccc3c(c2)OCCO3)n1 ZINC000602503916 347059015 /nfs/dbraw/zinc/05/90/15/347059015.db2.gz ONINBWYIGQKJLY-UHFFFAOYSA-N 0 3 295.342 2.057 20 30 CEEDHN N#Cc1cccc(CNCCc2ccc3c(c2)OCO3)n1 ZINC000602505610 347060204 /nfs/dbraw/zinc/06/02/04/347060204.db2.gz ZRSPZIAMISQYIP-UHFFFAOYSA-N 0 3 281.315 2.014 20 30 CEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1CO ZINC000602520076 347065325 /nfs/dbraw/zinc/06/53/25/347065325.db2.gz CNWIBVMBDHDDPS-AWEZNQCLSA-N 0 3 288.391 2.367 20 30 CEEDHN CC(C)CC[C@H](N)C(=O)NCC1(C#N)CCCCC1 ZINC000602521254 347065542 /nfs/dbraw/zinc/06/55/42/347065542.db2.gz LNXIIVYXONHMND-ZDUSSCGKSA-N 0 3 265.401 2.340 20 30 CEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1CO ZINC000602520077 347065551 /nfs/dbraw/zinc/06/55/51/347065551.db2.gz CNWIBVMBDHDDPS-CQSZACIVSA-N 0 3 288.391 2.367 20 30 CEEDHN C[C@@H](CNCc1cccc(C#N)n1)N1CCCC[C@@H]1C ZINC000602514823 347063754 /nfs/dbraw/zinc/06/37/54/347063754.db2.gz MIAAYOAIFSKUJF-KBPBESRZSA-N 0 3 272.396 2.306 20 30 CEEDHN CC(C#N)C(=O)NCc1ccsc1Br ZINC000307403515 344722307 /nfs/dbraw/zinc/72/23/07/344722307.db2.gz DTHWFZWYXWHYDD-LURJTMIESA-N 0 3 273.155 2.286 20 30 CEEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCCC#N)C[C@H](C)C1(F)F ZINC000602533372 347068453 /nfs/dbraw/zinc/06/84/53/347068453.db2.gz MQXZKRHRZQKKLI-GRYCIOLGSA-N 0 3 287.354 2.147 20 30 CEEDHN CCN1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000320013276 344751084 /nfs/dbraw/zinc/75/10/84/344751084.db2.gz JEBMRIVHKYDGIZ-GFCCVEGCSA-N 0 3 288.351 2.387 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CC[C@H](O)C(C)(C)C1 ZINC000311332977 344733815 /nfs/dbraw/zinc/73/38/15/344733815.db2.gz DRKKQWYSRUHGSY-HNNXBMFYSA-N 0 3 258.365 2.460 20 30 CEEDHN C=CCC(F)(F)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000293764716 344692730 /nfs/dbraw/zinc/69/27/30/344692730.db2.gz KHEPTLVLWPSNBM-CQSZACIVSA-N 0 3 296.361 2.487 20 30 CEEDHN N#Cc1cccc(CNCCN2CCCc3ccccc32)n1 ZINC000602526797 347066971 /nfs/dbraw/zinc/06/69/71/347066971.db2.gz GHAPVKYDXPUGLN-UHFFFAOYSA-N 0 3 292.386 2.496 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000340643930 344769355 /nfs/dbraw/zinc/76/93/55/344769355.db2.gz XQLMSTHXAOJNBO-HZPDHXFCSA-N 0 3 294.439 2.445 20 30 CEEDHN CCn1cc(CN[C@@H](C)CC2(C#N)CCOCC2)cn1 ZINC000602558226 347075868 /nfs/dbraw/zinc/07/58/68/347075868.db2.gz UAHAMNGWCSGQDC-ZDUSSCGKSA-N 0 3 276.384 2.092 20 30 CEEDHN C=C(Br)CN1C[C@H]2CCC[C@@]2(C(=O)OC)C1 ZINC000364691294 344811717 /nfs/dbraw/zinc/81/17/17/344811717.db2.gz RWRCLJQHJMWPPZ-ZYHUDNBSSA-N 0 3 288.185 2.170 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCOC3(CCC3)C2)n1 ZINC000602571595 347083538 /nfs/dbraw/zinc/08/35/38/347083538.db2.gz WDZKDFDGWASJDB-LBPRGKRZSA-N 0 3 257.337 2.145 20 30 CEEDHN N#CC[C@@H]1CCCN(C[C@@H](O)COCc2ccccc2)C1 ZINC000397577772 344851577 /nfs/dbraw/zinc/85/15/77/344851577.db2.gz GOSJMFCDEAESFA-DOTOQJQBSA-N 0 3 288.391 2.190 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000405967671 344885632 /nfs/dbraw/zinc/88/56/32/344885632.db2.gz SHUGFQBZLZUPCB-WBVHZDCISA-N 0 3 285.391 2.317 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000405967663 344886146 /nfs/dbraw/zinc/88/61/46/344886146.db2.gz SHUGFQBZLZUPCB-NVXWUHKLSA-N 0 3 285.391 2.317 20 30 CEEDHN C=CC1CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000418640654 344894190 /nfs/dbraw/zinc/89/41/90/344894190.db2.gz RDGQWLHFCPWMMK-QGZVFWFLSA-N 0 3 299.418 2.481 20 30 CEEDHN C=CCCCCN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000584761241 344983806 /nfs/dbraw/zinc/98/38/06/344983806.db2.gz XDCAMLKONBNNLM-CQSZACIVSA-N 0 3 254.418 2.120 20 30 CEEDHN CCN1CCCC[C@@H]1C(=O)N1CCC(CCC#N)CC1 ZINC000584779991 344985517 /nfs/dbraw/zinc/98/55/17/344985517.db2.gz ACHTYCBCRCAJMQ-OAHLLOKOSA-N 0 3 277.412 2.403 20 30 CEEDHN Cc1ccc(C#N)c(N[C@H]2CCN(CC3CC3)C2)n1 ZINC000587973728 345031694 /nfs/dbraw/zinc/03/16/94/345031694.db2.gz ZBWDCUZYGBJGIR-AWEZNQCLSA-N 0 3 256.353 2.158 20 30 CEEDHN C[C@H](CO)N(Cc1ccnc(C#N)c1)C1CCCC1 ZINC000588204866 345042976 /nfs/dbraw/zinc/04/29/76/345042976.db2.gz FRTGEWXSZNEMQA-GFCCVEGCSA-N 0 3 259.353 2.079 20 30 CEEDHN CN(C)CC1(NC(=O)CCCCCC#N)CCC1 ZINC000588760297 345054237 /nfs/dbraw/zinc/05/42/37/345054237.db2.gz ZNGDUIZPTQGQDH-UHFFFAOYSA-N 0 3 251.374 2.061 20 30 CEEDHN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C[C@@H](C)CCC#N ZINC000589823168 345100246 /nfs/dbraw/zinc/10/02/46/345100246.db2.gz ZYELEWIPOWAUHD-FQUUOJAGSA-N 0 3 264.369 2.200 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CC[C@@](O)(C(F)(F)F)C2)o1 ZINC000589939048 345104985 /nfs/dbraw/zinc/10/49/85/345104985.db2.gz NEWLNBKEGCBGQD-KCJUWKMLSA-N 0 3 274.242 2.087 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CC1(C#N)CC1)C(C)C ZINC000590246568 345122996 /nfs/dbraw/zinc/12/29/96/345122996.db2.gz UYDBZVBBTYXKTQ-HNNXBMFYSA-N 0 3 289.423 2.495 20 30 CEEDHN COCC(COC)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000590779824 345180141 /nfs/dbraw/zinc/18/01/41/345180141.db2.gz IFFUYHHCSQVMMK-INIZCTEOSA-N 0 3 274.364 2.187 20 30 CEEDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1F ZINC000590657250 345155595 /nfs/dbraw/zinc/15/55/95/345155595.db2.gz IAWSHVFAFQQSRB-OCCSQVGLSA-N 0 3 276.311 2.129 20 30 CEEDHN CS(=O)(=O)c1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000590658803 345156278 /nfs/dbraw/zinc/15/62/78/345156278.db2.gz UZZHLKFHPDRGBT-TZMCWYRMSA-N 0 3 292.404 2.262 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)CCCCCC#N)C1 ZINC000590889435 345194997 /nfs/dbraw/zinc/19/49/97/345194997.db2.gz BPNKHUDPYUYCFF-CQSZACIVSA-N 0 3 265.401 2.402 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](O)CC(F)(F)F)c(F)c1 ZINC000591733921 345276059 /nfs/dbraw/zinc/27/60/59/345276059.db2.gz MAGWBSZZVBJPKP-JTQLQIEISA-N 0 3 276.233 2.100 20 30 CEEDHN COc1ccc2ncc(C#N)c(NCCN(C)C3CC3)c2c1 ZINC000591900520 345295416 /nfs/dbraw/zinc/29/54/16/345295416.db2.gz JNMPLNHDVQLZRX-UHFFFAOYSA-N 0 3 296.374 2.043 20 30 CEEDHN COc1ccc2ncc(C#N)c(N(C)CCN(C)C)c2c1 ZINC000591918546 345299989 /nfs/dbraw/zinc/29/99/89/345299989.db2.gz MQCWATBFPKZQKL-UHFFFAOYSA-N 0 3 284.363 2.113 20 30 CEEDHN Cc1cc(N2CC[C@@](O)(CC#N)C2)c2ccccc2n1 ZINC000591977307 345309499 /nfs/dbraw/zinc/30/94/99/345309499.db2.gz WGYVPAJATSYSSR-INIZCTEOSA-N 0 3 267.332 2.398 20 30 CEEDHN N#CC[C@@]1(O)CCN(Cc2ccnc3ccccc23)C1 ZINC000592523262 345366164 /nfs/dbraw/zinc/36/61/64/345366164.db2.gz XMKOIALWCXZCGH-MRXNPFEDSA-N 0 3 267.332 2.085 20 30 CEEDHN N#Cc1cnccc1CNC1(CO)C2CC3CC(C2)CC1C3 ZINC000592124976 345326617 /nfs/dbraw/zinc/32/66/17/345326617.db2.gz PDGPLYIDHHTYMS-UHFFFAOYSA-N 0 3 297.402 2.230 20 30 CEEDHN Cc1ccccc1OCCCN1CC[C@@](O)(CC#N)C1 ZINC000592150515 345330324 /nfs/dbraw/zinc/33/03/24/345330324.db2.gz FTCXLUYRMMPWFM-INIZCTEOSA-N 0 3 274.364 2.114 20 30 CEEDHN Cc1cc(CN2CC[C@@](O)(CC#N)C2)c2ccccc2n1 ZINC000592150513 345330439 /nfs/dbraw/zinc/33/04/39/345330439.db2.gz FOCNQHXDEXHGPP-KRWDZBQOSA-N 0 3 281.359 2.394 20 30 CEEDHN C[C@@H](CCC#N)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000593011751 345423213 /nfs/dbraw/zinc/42/32/13/345423213.db2.gz VBLZBGQUZGNMGY-QWHCGFSZSA-N 0 3 273.384 2.096 20 30 CEEDHN CN1CCN(CCCC#N)[C@H](Cc2ccccc2)C1 ZINC000593088428 345436140 /nfs/dbraw/zinc/43/61/40/345436140.db2.gz CMAKQSIJKIDHPJ-MRXNPFEDSA-N 0 3 257.381 2.149 20 30 CEEDHN C[C@H]1CN(CCCSCC#N)C2(CCC2)CO1 ZINC000593090621 345436965 /nfs/dbraw/zinc/43/69/65/345436965.db2.gz BCMXTFBOAVBBHM-LBPRGKRZSA-N 0 3 254.399 2.277 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592827943 345401153 /nfs/dbraw/zinc/40/11/53/345401153.db2.gz IXGVVTRFRZBSJM-CJNGLKHVSA-N 0 3 286.375 2.336 20 30 CEEDHN C[C@@H](CNC(=O)/C=C/c1ccccc1C#N)N(C)C1CC1 ZINC000057713580 362593968 /nfs/dbraw/zinc/59/39/68/362593968.db2.gz SNDPJBFLLYFORD-RSPDNQDQSA-N 0 3 283.375 2.170 20 30 CEEDHN CN(CCN1CCCCC1)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000593517389 345502028 /nfs/dbraw/zinc/50/20/28/345502028.db2.gz STXZOKYQBGJYDX-UHFFFAOYSA-N 0 3 288.351 2.389 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)NCC2(C#N)CCCC2)C1 ZINC000593304745 345464095 /nfs/dbraw/zinc/46/40/95/345464095.db2.gz FARKQGAYKZCJJM-AWEZNQCLSA-N 0 3 292.427 2.101 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)NCC1(C#N)CCCC1 ZINC000593342763 345468918 /nfs/dbraw/zinc/46/89/18/345468918.db2.gz YCMYBKZMXWUERV-CQSZACIVSA-N 0 3 292.427 2.244 20 30 CEEDHN N#Cc1cccc(CN[C@H](CCO)C2CCCCC2)n1 ZINC000602578656 347086419 /nfs/dbraw/zinc/08/64/19/347086419.db2.gz PBPLOMUGICPXKZ-MRXNPFEDSA-N 0 3 273.380 2.374 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000593419931 345481877 /nfs/dbraw/zinc/48/18/77/345481877.db2.gz WUYGBCLRYNVTBS-FMKPAKJESA-N 0 3 285.391 2.488 20 30 CEEDHN CC[C@@H](C#N)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000593427230 345483743 /nfs/dbraw/zinc/48/37/43/345483743.db2.gz RMIRYPQXAGNHOQ-ZDUSSCGKSA-N 0 3 277.368 2.028 20 30 CEEDHN N#C[C@H]1CCC[C@H](NCc2ccc(-c3nncnn3)cc2)C1 ZINC000593692956 345522062 /nfs/dbraw/zinc/52/20/62/345522062.db2.gz HSMRWWXWJWTNIJ-ZFWWWQNUSA-N 0 3 294.362 2.106 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](CO)CCF ZINC000593718665 345526310 /nfs/dbraw/zinc/52/63/10/345526310.db2.gz OEBFYPXXDASGEU-DZGCQCFKSA-N 0 3 262.328 2.246 20 30 CEEDHN C[C@@H](NCC[C@]1(O)CCCOC1)c1ccc(C#N)cc1F ZINC000593720991 345527075 /nfs/dbraw/zinc/52/70/75/345527075.db2.gz OMACLSGKGBHKBO-MLGOLLRUSA-N 0 3 292.354 2.280 20 30 CEEDHN CC[C@@H](C#N)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000593739860 345530118 /nfs/dbraw/zinc/53/01/18/345530118.db2.gz LIIZHBKQXDLRBU-ZDUSSCGKSA-N 0 3 279.409 2.188 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N(C)CCN1CCCCC1 ZINC000593883674 345548279 /nfs/dbraw/zinc/54/82/79/345548279.db2.gz RJONHGJHHOJEAS-UHFFFAOYSA-N 0 3 275.352 2.018 20 30 CEEDHN C[C@@H](CNC(=O)CCCCC#N)N1CCCC[C@@H]1C ZINC000593964047 345556894 /nfs/dbraw/zinc/55/68/94/345556894.db2.gz XLFVCZADBIWCKV-KBPBESRZSA-N 0 3 265.401 2.449 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)CCCCC#N ZINC000594012654 345565935 /nfs/dbraw/zinc/56/59/35/345565935.db2.gz IOTVZXJJGUTRCZ-CYBMUJFWSA-N 0 3 265.401 2.307 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)C[C@@H]1CCCN1C ZINC000594051667 345574082 /nfs/dbraw/zinc/57/40/82/345574082.db2.gz UZVYWROZCWXONO-PBHICJAKSA-N 0 3 299.418 2.289 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000119515411 232202328 /nfs/dbraw/zinc/20/23/28/232202328.db2.gz BQNVDOVXLNDLRB-CQSZACIVSA-N 0 3 271.364 2.033 20 30 CEEDHN C[C@@H](C[S@@](C)=O)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594502127 345639167 /nfs/dbraw/zinc/63/91/67/345639167.db2.gz XIDGXJDROZREPS-HXPMCKFVSA-N 0 3 278.421 2.344 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN2CCC1CC2 ZINC000594348874 345615160 /nfs/dbraw/zinc/61/51/60/345615160.db2.gz DBRQLRJRGLXZGM-CQSZACIVSA-N 0 3 297.402 2.043 20 30 CEEDHN CCC(C)(C)N1CCN(C(=O)CCCCC#N)CC1 ZINC000594390739 345620610 /nfs/dbraw/zinc/62/06/10/345620610.db2.gz ZZNIPXRALCRYAS-UHFFFAOYSA-N 0 3 265.401 2.403 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](Cc1ccccc1)c1ncco1 ZINC000594414656 345623865 /nfs/dbraw/zinc/62/38/65/345623865.db2.gz KIDVNKMVGZKDNC-YPMHNXCESA-N 0 3 269.304 2.234 20 30 CEEDHN COCCOCCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594496566 345638409 /nfs/dbraw/zinc/63/84/09/345638409.db2.gz OHNIRAKJBUVIRK-UHFFFAOYSA-N 0 3 276.380 2.240 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc(Cl)cc1 ZINC000594424412 345624970 /nfs/dbraw/zinc/62/49/70/345624970.db2.gz DGCLOJLCBPFGSW-ZDUSSCGKSA-N 0 3 279.771 2.367 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000594426167 345625495 /nfs/dbraw/zinc/62/54/95/345625495.db2.gz PQDXVPZMNVPWIU-WDEREUQCSA-N 0 3 291.317 2.199 20 30 CEEDHN COc1ccccc1[C@@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000594427071 345626578 /nfs/dbraw/zinc/62/65/78/345626578.db2.gz UIKNITBZGFNCFQ-OCCSQVGLSA-N 0 3 289.379 2.284 20 30 CEEDHN CCN(C(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594427126 345626655 /nfs/dbraw/zinc/62/66/55/345626655.db2.gz SXDODNLQGXPFTE-CQSZACIVSA-N 0 3 259.353 2.451 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCC1(c2ccccc2)CC1 ZINC000594426334 345626672 /nfs/dbraw/zinc/62/66/72/345626672.db2.gz CFFVUDODRBJADX-HNNXBMFYSA-N 0 3 285.391 2.246 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1nc2c(s1)CCCC2 ZINC000594427384 345626776 /nfs/dbraw/zinc/62/67/76/345626776.db2.gz UDSBKFQCVNHTTI-JTQLQIEISA-N 0 3 292.408 2.372 20 30 CEEDHN CC[C@@H]1CCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594428150 345627081 /nfs/dbraw/zinc/62/70/81/345627081.db2.gz ZTFKLGPZBCIESS-OLZOCXBDSA-N 0 3 251.374 2.189 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC1CC(c2ccccc2)C1 ZINC000594433148 345629172 /nfs/dbraw/zinc/62/91/72/345629172.db2.gz CKJYNZJXBPGFFD-UYSNPLJNSA-N 0 3 285.391 2.460 20 30 CEEDHN C[C@H]1CCCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594434092 345629240 /nfs/dbraw/zinc/62/92/40/345629240.db2.gz KNRRYYNJZYQYKD-QWHCGFSZSA-N 0 3 251.374 2.189 20 30 CEEDHN C[C@@H](CN(C)C(=O)[C@H](N)CCCCC#N)c1nccs1 ZINC000594436378 345629908 /nfs/dbraw/zinc/62/99/08/345629908.db2.gz HQKHWEMBVUSVJC-NWDGAFQWSA-N 0 3 294.424 2.116 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CC12CCCCC2 ZINC000594435900 345630068 /nfs/dbraw/zinc/63/00/68/345630068.db2.gz GFFHBJFFCKUVSY-CHWSQXEVSA-N 0 3 263.385 2.237 20 30 CEEDHN CCCc1cnc(NC(=O)[C@@H](N)CCCCC#N)s1 ZINC000594437487 345630498 /nfs/dbraw/zinc/63/04/98/345630498.db2.gz NSFWGSYBEKHLGD-NSHDSACASA-N 0 3 280.397 2.445 20 30 CEEDHN C[C@H]1CCN(C(=O)[C@@H](N)CCCCC#N)CC1(C)C ZINC000594442749 345631856 /nfs/dbraw/zinc/63/18/56/345631856.db2.gz JADBUFQILPHHBZ-STQMWFEESA-N 0 3 265.401 2.292 20 30 CEEDHN C[C@@H]1CCCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594443555 345632055 /nfs/dbraw/zinc/63/20/55/345632055.db2.gz RKXPAVWQPMOKRL-OLZOCXBDSA-N 0 3 251.374 2.046 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCOC1CCCCCC1 ZINC000594444468 345632638 /nfs/dbraw/zinc/63/26/38/345632638.db2.gz NEWHNACZPUEIKQ-OAHLLOKOSA-N 0 3 295.427 2.253 20 30 CEEDHN COc1c(C)cccc1CNC(=O)[C@H](N)CCCCC#N ZINC000594448696 345633310 /nfs/dbraw/zinc/63/33/10/345633310.db2.gz SRCBEESVEYIYMZ-CQSZACIVSA-N 0 3 289.379 2.031 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC[C@H]1CC12CCSCC2 ZINC000594450254 345633873 /nfs/dbraw/zinc/63/38/73/345633873.db2.gz VRXKKMTZMTXDJF-OLZOCXBDSA-N 0 3 295.452 2.047 20 30 CEEDHN CC(C)(C)[C@H](N)c1cn(CC2(C#N)CCCC2)nn1 ZINC000594656532 345667882 /nfs/dbraw/zinc/66/78/82/345667882.db2.gz XANVXMZOBOUZDY-GFCCVEGCSA-N 0 3 261.373 2.408 20 30 CEEDHN N#CCC1(Cn2cc(COc3ccccc3CN)nn2)CC1 ZINC000594652527 345667096 /nfs/dbraw/zinc/66/70/96/345667096.db2.gz SHSKBHSTHGDORI-UHFFFAOYSA-N 0 3 297.362 2.010 20 30 CEEDHN C=C(C)COc1cc(CNC[C@H](C)O)ccc1OC ZINC000057958581 362602009 /nfs/dbraw/zinc/60/20/09/362602009.db2.gz QQXVXHYWEPVHNJ-LBPRGKRZSA-N 0 3 265.353 2.121 20 30 CEEDHN Cc1ccc(N[C@H]2CCCN3CCCC[C@@H]23)nc1C#N ZINC000594600529 345656659 /nfs/dbraw/zinc/65/66/59/345656659.db2.gz LXKDECCYNRNKSR-ZFWWWQNUSA-N 0 3 270.380 2.112 20 30 CEEDHN C[C@@H]1C[C@H](NC2CCC(C)(C#N)CC2)c2ncnn21 ZINC000595074113 345740043 /nfs/dbraw/zinc/74/00/43/345740043.db2.gz TYVJMTJUWGLFJG-JJMZSNKZSA-N 0 3 259.357 2.346 20 30 CEEDHN N#C[C@@H](c1ccccc1)N1CC[C@H](N2CCCC2)C1 ZINC000595308074 345759403 /nfs/dbraw/zinc/75/94/03/345759403.db2.gz YUDJLGCMEHTLSA-HOTGVXAUSA-N 0 3 255.365 2.421 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000595249060 345747780 /nfs/dbraw/zinc/74/77/80/345747780.db2.gz FJRZEZPOXPWJMZ-NJZAAPMLSA-N 0 3 269.348 2.029 20 30 CEEDHN CNCc1ccccc1NC(=O)CC1(C#N)CCOCC1 ZINC000595253239 345748201 /nfs/dbraw/zinc/74/82/01/345748201.db2.gz HWOMUWSYDLYINU-UHFFFAOYSA-N 0 3 287.363 2.055 20 30 CEEDHN C=CCCSCCNC(=O)c1ccc2c(c1)CNC2 ZINC000595255590 345749565 /nfs/dbraw/zinc/74/95/65/345749565.db2.gz GBMPWGNRMLQOIM-UHFFFAOYSA-N 0 3 276.405 2.329 20 30 CEEDHN Cc1cc(F)ccc1C[C@@H](C)NC(=O)[C@H](N)CCCC#N ZINC000595256103 345749825 /nfs/dbraw/zinc/74/98/25/345749825.db2.gz LKYGCVVRXPEZOA-IUODEOHRSA-N 0 3 291.370 2.203 20 30 CEEDHN N#Cc1ccc(CCN2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000595309911 345760004 /nfs/dbraw/zinc/76/00/04/345760004.db2.gz AUYPGJDVTMARTB-KGLIPLIRSA-N 0 3 298.308 2.488 20 30 CEEDHN CC(C)N1CC[C@@H](NCc2ccc(C3(C#N)CC3)cc2)C1=O ZINC000594920192 345701750 /nfs/dbraw/zinc/70/17/50/345701750.db2.gz DQMYAHPKUPDNTM-MRXNPFEDSA-N 0 3 297.402 2.341 20 30 CEEDHN COC[C@H](NCc1cc(C#N)cs1)C1CCOCC1 ZINC000594956637 345715638 /nfs/dbraw/zinc/71/56/38/345715638.db2.gz KJHFNRONVSEHLO-AWEZNQCLSA-N 0 3 280.393 2.151 20 30 CEEDHN COc1cccc(CNCCc2ccc(C#N)cc2)n1 ZINC000594956074 345715680 /nfs/dbraw/zinc/71/56/80/345715680.db2.gz TVIQNUODEVHMHP-UHFFFAOYSA-N 0 3 267.332 2.294 20 30 CEEDHN C[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000594962410 345718102 /nfs/dbraw/zinc/71/81/02/345718102.db2.gz RHZFFUDZNSKILA-LNSDYSHSSA-N 0 3 282.434 2.399 20 30 CEEDHN N#Cc1csc(CNCCO[C@@H]2CC2(F)F)c1 ZINC000594970023 345719612 /nfs/dbraw/zinc/71/96/12/345719612.db2.gz CJBNQJMWIHMYRU-SNVBAGLBSA-N 0 3 258.293 2.134 20 30 CEEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)[C@H]1CCOC1 ZINC000595059636 345736757 /nfs/dbraw/zinc/73/67/57/345736757.db2.gz HCRAANXMKRFPPY-HZUKXOBISA-N 0 3 292.354 2.399 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595549943 345810130 /nfs/dbraw/zinc/81/01/30/345810130.db2.gz GERIZRRQVNOEDI-GJZGRUSLSA-N 0 3 292.427 2.196 20 30 CEEDHN CN1CCN(CCc2ccc(C#N)cc2)CC1(C)C ZINC000595469408 345790730 /nfs/dbraw/zinc/79/07/30/345790730.db2.gz HARSDQGFHLAXPZ-UHFFFAOYSA-N 0 3 257.381 2.127 20 30 CEEDHN N#Cc1ccc(CCN2CC[C@H](OC(F)F)C2)cc1 ZINC000595475967 345792091 /nfs/dbraw/zinc/79/20/91/345792091.db2.gz LBCFXYIMMQEVFE-ZDUSSCGKSA-N 0 3 266.291 2.414 20 30 CEEDHN C[C@@H](CNC(=O)N1CC[C@@](C)(C#N)C1)N1CCC[C@@H](C)C1 ZINC000595504688 345797488 /nfs/dbraw/zinc/79/74/88/345797488.db2.gz GUONQDITONJWHV-YCPHGPKFSA-N 0 3 292.427 2.052 20 30 CEEDHN CC[C@@H]1CN(C)CCN1CCc1ccc(C#N)cc1 ZINC000595504346 345797511 /nfs/dbraw/zinc/79/75/11/345797511.db2.gz CEVREMZCMJNLLN-MRXNPFEDSA-N 0 3 257.381 2.127 20 30 CEEDHN C[C@H](CO)[C@H]1CCCCN1CCOc1ccccc1C#N ZINC000595677605 345845911 /nfs/dbraw/zinc/84/59/11/345845911.db2.gz PJMMOMCIZZIMOO-GDBMZVCRSA-N 0 3 288.391 2.420 20 30 CEEDHN CN(Cc1ccccc1C(C)(C)C#N)C[C@H]1COCCO1 ZINC000595741306 345864261 /nfs/dbraw/zinc/86/42/61/345864261.db2.gz MHXSPBQDGUDLKY-HNNXBMFYSA-N 0 3 288.391 2.335 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)C1 ZINC000595706244 345855263 /nfs/dbraw/zinc/85/52/63/345855263.db2.gz XWBHRYLRKDURHE-KGLIPLIRSA-N 0 3 292.427 2.194 20 30 CEEDHN C=CCCSCCNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000595724508 345860300 /nfs/dbraw/zinc/86/03/00/345860300.db2.gz LVGAFZFMEDUIBC-UHFFFAOYSA-N 0 3 299.484 2.421 20 30 CEEDHN C[C@@]1(C2CC2)CN(CCCSCC#N)CCO1 ZINC000595617211 345828700 /nfs/dbraw/zinc/82/87/00/345828700.db2.gz GNEBULMSXZVJOF-ZDUSSCGKSA-N 0 3 254.399 2.134 20 30 CEEDHN N#Cc1sccc1N1CCN(CC2CCOCC2)CC1 ZINC000595630796 345832425 /nfs/dbraw/zinc/83/24/25/345832425.db2.gz KIIVBLHFWIZDCU-UHFFFAOYSA-N 0 3 291.420 2.168 20 30 CEEDHN CSC[C@H](O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595640191 345835077 /nfs/dbraw/zinc/83/50/77/345835077.db2.gz PENOURYALPCGKT-CYBMUJFWSA-N 0 3 264.394 2.107 20 30 CEEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000595659155 345840257 /nfs/dbraw/zinc/84/02/57/345840257.db2.gz LGLNZAZCDFAKPX-UONOGXRCSA-N 0 3 295.427 2.145 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000595840756 345895608 /nfs/dbraw/zinc/89/56/08/345895608.db2.gz DRNIQFPOAPFZMY-MELADBBJSA-N 0 3 293.411 2.040 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000595945555 345916711 /nfs/dbraw/zinc/91/67/11/345916711.db2.gz GKRXDCLYVOEFRP-HUUCEWRRSA-N 0 3 277.412 2.436 20 30 CEEDHN CC1(C)C[C@@]1(CNC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000595987836 345921249 /nfs/dbraw/zinc/92/12/49/345921249.db2.gz YSCFMMUUZJACIU-MAUKXSAKSA-N 0 3 299.418 2.492 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1nc2ncccc2cc1C#N ZINC000596162519 345956857 /nfs/dbraw/zinc/95/68/57/345956857.db2.gz LZOXSDDEWRPXSB-IAQYHMDHSA-N 0 3 293.374 2.396 20 30 CEEDHN CN(C)[C@@H](CNc1c(C#N)cnn1C)c1ccsc1 ZINC000596077650 345934507 /nfs/dbraw/zinc/93/45/07/345934507.db2.gz VTLRTEJQJOKCBD-LBPRGKRZSA-N 0 3 275.381 2.068 20 30 CEEDHN CN1CCC[C@H](CNc2nc3ncccc3cc2C#N)C1 ZINC000596118953 345943987 /nfs/dbraw/zinc/94/39/87/345943987.db2.gz HMYNLUQBGYPSQY-GFCCVEGCSA-N 0 3 281.363 2.255 20 30 CEEDHN CC(C)[C@@H]1CN(c2nc3ncccc3cc2C#N)CCN1C ZINC000596207276 345969155 /nfs/dbraw/zinc/96/91/55/345969155.db2.gz QJDLKMDYVMSHPM-HNNXBMFYSA-N 0 3 295.390 2.278 20 30 CEEDHN CC(C)(C)N1CC[C@H](Nc2ncc(C#N)cc2F)C1 ZINC000596335793 346002577 /nfs/dbraw/zinc/00/25/77/346002577.db2.gz IJISYDHGKUWVIY-NSHDSACASA-N 0 3 262.332 2.377 20 30 CEEDHN CCCN1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)C1 ZINC000596480747 346034167 /nfs/dbraw/zinc/03/41/67/346034167.db2.gz HRYPJJPZWLKKKD-AWEZNQCLSA-N 0 3 272.352 2.164 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)NCC1(C#N)CCCC1 ZINC000596644145 346070488 /nfs/dbraw/zinc/07/04/88/346070488.db2.gz XOMQJKKUONJFRQ-ZDUSSCGKSA-N 0 3 292.427 2.242 20 30 CEEDHN C[C@H](CC#N)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000596789113 346090394 /nfs/dbraw/zinc/09/03/94/346090394.db2.gz DKYRZQITATVMDG-OAHLLOKOSA-N 0 3 299.418 2.359 20 30 CEEDHN C[C@@H](CCC#N)N1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596597980 346062813 /nfs/dbraw/zinc/06/28/13/346062813.db2.gz HHFHYZOUYWINRE-LBPRGKRZSA-N 0 3 260.385 2.497 20 30 CEEDHN C[C@H](CC#N)C(=O)N(CCN(C)C)c1ccccc1 ZINC000596993922 346113224 /nfs/dbraw/zinc/11/32/24/346113224.db2.gz YLBSDHQRBVAETF-CYBMUJFWSA-N 0 3 259.353 2.131 20 30 CEEDHN C[C@@H](CC#N)C(=O)N(CCN(C)C)c1ccccc1 ZINC000596993923 346113472 /nfs/dbraw/zinc/11/34/72/346113472.db2.gz YLBSDHQRBVAETF-ZDUSSCGKSA-N 0 3 259.353 2.131 20 30 CEEDHN COC(=O)c1coc(CNCCc2ccc(C#N)cc2)c1 ZINC000597179552 346143130 /nfs/dbraw/zinc/14/31/30/346143130.db2.gz VPTSIRPQGXAOBK-UHFFFAOYSA-N 0 3 284.315 2.270 20 30 CEEDHN CN(C)C[C@@H]1CCCN1C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597092351 346127959 /nfs/dbraw/zinc/12/79/59/346127959.db2.gz LYEVCMMWZDXAOR-NSHDSACASA-N 0 3 293.317 2.003 20 30 CEEDHN CN(C)C[C@H]1CCCN1C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597092350 346128027 /nfs/dbraw/zinc/12/80/27/346128027.db2.gz LYEVCMMWZDXAOR-LLVKDONJSA-N 0 3 293.317 2.003 20 30 CEEDHN CC[C@](C)(NC(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000602585365 347089102 /nfs/dbraw/zinc/08/91/02/347089102.db2.gz GFYLRJMQVDZZDP-OCCSQVGLSA-N 0 3 251.374 2.093 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1Cc2c[nH]nc2C1 ZINC000597678661 346214452 /nfs/dbraw/zinc/21/44/52/346214452.db2.gz ARAINOWVCNTSQZ-CYBMUJFWSA-N 0 3 280.331 2.024 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)CC1(C#N)CCCCC1 ZINC000597521322 346197996 /nfs/dbraw/zinc/19/79/96/346197996.db2.gz BGCYHVNWMGHTEI-UHFFFAOYSA-N 0 3 277.412 2.403 20 30 CEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)[C@@H](C)CC#N ZINC000597708180 346219410 /nfs/dbraw/zinc/21/94/10/346219410.db2.gz YJSOZCVHGJAXTJ-KBPBESRZSA-N 0 3 265.401 2.163 20 30 CEEDHN CC1(C)C[C@@H](NC(=O)C(C#N)CCc2ccccc2)CO1 ZINC000597863737 346241665 /nfs/dbraw/zinc/24/16/65/346241665.db2.gz HTTZAINOXOSOFH-LSDHHAIUSA-N 0 3 286.375 2.443 20 30 CEEDHN C[C@@H](C(=O)NCCc1ccc(C#N)cc1)N1[C@H](C)CC[C@H]1C ZINC000597891565 346246621 /nfs/dbraw/zinc/24/66/21/346246621.db2.gz OIGXJFOXXUJNHK-KFWWJZLASA-N 0 3 299.418 2.478 20 30 CEEDHN CCN(C(=O)CCCCC#N)[C@@H]1CCN(CC)C1 ZINC000598041206 346274473 /nfs/dbraw/zinc/27/44/73/346274473.db2.gz RUUQYGOKDGWNKM-CYBMUJFWSA-N 0 3 251.374 2.013 20 30 CEEDHN N#Cc1ccccc1OCCN1CCCN(C2CC2)CC1 ZINC000061040748 362674773 /nfs/dbraw/zinc/67/47/73/362674773.db2.gz ZZWYIKIYXAEUKC-UHFFFAOYSA-N 0 3 285.391 2.107 20 30 CEEDHN C[C@@H](CC#N)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000598195966 346303354 /nfs/dbraw/zinc/30/33/54/346303354.db2.gz YBCQWWBHFOMTEH-DOTOQJQBSA-N 0 3 299.418 2.312 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000598260762 346315895 /nfs/dbraw/zinc/31/58/95/346315895.db2.gz NEKCMMVXJIFLRR-LBPRGKRZSA-N 0 3 289.379 2.310 20 30 CEEDHN CCC(C)(C)CCNC(=O)[C@H](N)CCCCC#N ZINC000602586794 347090121 /nfs/dbraw/zinc/09/01/21/347090121.db2.gz VSKUOYFFIBZKMH-GFCCVEGCSA-N 0 3 253.390 2.340 20 30 CEEDHN C[C@H](C(=O)N1CC[C@](C)(C#N)C1)N1[C@H](C)CC[C@@H]1C ZINC000598414758 346350679 /nfs/dbraw/zinc/35/06/79/346350679.db2.gz FSXJRTAJRUEJRV-QVHKTLOISA-N 0 3 263.385 2.010 20 30 CEEDHN C[C@H](C(=O)N1CC[C@@](C)(C#N)C1)N1[C@H](C)CC[C@@H]1C ZINC000598414757 346350740 /nfs/dbraw/zinc/35/07/40/346350740.db2.gz FSXJRTAJRUEJRV-COMQUAJESA-N 0 3 263.385 2.010 20 30 CEEDHN C[C@]1(C#N)CCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000598415401 346351345 /nfs/dbraw/zinc/35/13/45/346351345.db2.gz PRPXOLCURWUTDY-GOSISDBHSA-N 0 3 297.402 2.197 20 30 CEEDHN N#C[C@H]1CCC[C@H]1NC1CCN(c2ccccn2)CC1 ZINC000061892054 362697087 /nfs/dbraw/zinc/69/70/87/362697087.db2.gz YRRDXCPWNOVEEI-UKRRQHHQSA-N 0 3 270.380 2.332 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000598572358 346376558 /nfs/dbraw/zinc/37/65/58/346376558.db2.gz IIBQZIUBVXONNY-PWSUYJOCSA-N 0 3 280.368 2.020 20 30 CEEDHN CC(C)CO[C@H]1CCN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598591762 346379688 /nfs/dbraw/zinc/37/96/88/346379688.db2.gz BIFAEMCXRODLQX-KBPBESRZSA-N 0 3 268.401 2.034 20 30 CEEDHN C[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)CCC1(F)F ZINC000598615498 346384121 /nfs/dbraw/zinc/38/41/21/346384121.db2.gz BVSHFMHDAILCER-MNOVXSKESA-N 0 3 260.328 2.264 20 30 CEEDHN CCC(C)(C)N1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598621601 346385875 /nfs/dbraw/zinc/38/58/75/346385875.db2.gz AQHDBSVKKZWWEF-AWEZNQCLSA-N 0 3 281.444 2.093 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H](OC2CCC2)C1 ZINC000598624023 346386717 /nfs/dbraw/zinc/38/67/17/346386717.db2.gz VQGVYHJLMWIQBS-HIFRSBDPSA-N 0 3 280.412 2.321 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@H](c2cccnc2)C1 ZINC000598624689 346386754 /nfs/dbraw/zinc/38/67/54/346386754.db2.gz LIDHBCBQCFBMEY-GJZGRUSLSA-N 0 3 273.380 2.172 20 30 CEEDHN CC(=O)N1CC[C@H](NCCCC#N)c2ccccc21 ZINC000598678216 346399722 /nfs/dbraw/zinc/39/97/22/346399722.db2.gz OUWXHNKRIHSNHW-AWEZNQCLSA-N 0 3 257.337 2.378 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(Cl)o1 ZINC000598715971 346406500 /nfs/dbraw/zinc/40/65/00/346406500.db2.gz WTKTXSNOZBPXPN-SECBINFHSA-N 0 3 256.733 2.323 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc2c(c1)COC2 ZINC000598724168 346408562 /nfs/dbraw/zinc/40/85/62/346408562.db2.gz IZOMAKNWWPDDKE-HNNXBMFYSA-N 0 3 274.364 2.107 20 30 CEEDHN COC[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccccc1 ZINC000599348149 346503980 /nfs/dbraw/zinc/50/39/80/346503980.db2.gz CSWAJJYRDSFXFW-LSDHHAIUSA-N 0 3 274.364 2.018 20 30 CEEDHN Cc1ccncc1[C@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC000599362481 346507784 /nfs/dbraw/zinc/50/77/84/346507784.db2.gz OBLNCFOWMRXTLJ-QWHCGFSZSA-N 0 3 259.353 2.095 20 30 CEEDHN C[C@]1(CNCc2cccc(C#N)n2)CCO[C@@H]1C1CC1 ZINC000602612959 347102683 /nfs/dbraw/zinc/10/26/83/347102683.db2.gz VTWCUEDELNXYKC-HZPDHXFCSA-N 0 3 271.364 2.248 20 30 CEEDHN N#Cc1ccc(OCCN2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000599635969 346550512 /nfs/dbraw/zinc/55/05/12/346550512.db2.gz MZXORXSWAUPGRW-DOTOQJQBSA-N 0 3 286.375 2.031 20 30 CEEDHN COC(=O)C1C[C@@H](C)N(CCCSCC#N)[C@H](C)C1 ZINC000599689349 346566844 /nfs/dbraw/zinc/56/68/44/346566844.db2.gz PHUDQOUIVVVGCS-VXGBXAGGSA-N 0 3 284.425 2.295 20 30 CEEDHN N#CCC[C@@H](C#N)CNC[C@@H]1CCN1C1CCCCC1 ZINC000600607414 346661217 /nfs/dbraw/zinc/66/12/17/346661217.db2.gz YBPHTWSDTPKMSH-HOCLYGCPSA-N 0 3 274.412 2.427 20 30 CEEDHN COC[C@H](C)CN1CCc2c(CC#N)cccc2C1 ZINC000600213411 346624667 /nfs/dbraw/zinc/62/46/67/346624667.db2.gz VMKQHZLRDMWTMD-CYBMUJFWSA-N 0 3 258.365 2.393 20 30 CEEDHN N#C[C@@H]1CC[C@@H](n2cc(COc3ccccc3CN)nn2)C1 ZINC000600972685 346723630 /nfs/dbraw/zinc/72/36/30/346723630.db2.gz COBYYWVJOFMJPQ-IUODEOHRSA-N 0 3 297.362 2.181 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@H]2COc3c2cccc3Cl)CC1 ZINC000600731752 346680267 /nfs/dbraw/zinc/68/02/67/346680267.db2.gz UGOZMGBUSSKEOX-MFKMUULPSA-N 0 3 292.766 2.418 20 30 CEEDHN Cc1ccc2c(c1)nc(CNC[C@@H](O)CC1(C#N)CC1)n2C ZINC000600733367 346680562 /nfs/dbraw/zinc/68/05/62/346680562.db2.gz COSCXLPSEBSZGF-ZDUSSCGKSA-N 0 3 298.390 2.026 20 30 CEEDHN CCSc1cc(CNC[C@H](O)CC2(C#N)CC2)ccn1 ZINC000600732714 346680965 /nfs/dbraw/zinc/68/09/65/346680965.db2.gz DMUQDOKBUKJUJY-CYBMUJFWSA-N 0 3 291.420 2.338 20 30 CEEDHN N#Cc1ccc(-c2cccc([C@H]3CNCCO3)c2)c(CO)c1 ZINC000600781316 346689371 /nfs/dbraw/zinc/68/93/71/346689371.db2.gz XPKXRDOFEHFOBY-GOSISDBHSA-N 0 3 294.354 2.378 20 30 CEEDHN N#CC1(C(=O)N2CC[C@@H](N3CCCCC3)C2)CC2(CC2)C1 ZINC000601124916 346760830 /nfs/dbraw/zinc/76/08/30/346760830.db2.gz JSNOKLOFVTUNGH-CQSZACIVSA-N 0 3 287.407 2.157 20 30 CEEDHN N#CCCCOc1cccc(CN[C@H]2C[C@@H](CO)C2)c1 ZINC000601139546 346766260 /nfs/dbraw/zinc/76/62/60/346766260.db2.gz FGYXPAYZMKCAMP-GASCZTMLSA-N 0 3 274.364 2.230 20 30 CEEDHN CCCN(CCN(C)C)C(=O)c1ccccc1CC#N ZINC000601040627 346738090 /nfs/dbraw/zinc/73/80/90/346738090.db2.gz XZVXYTWTUCBGSA-UHFFFAOYSA-N 0 3 273.380 2.166 20 30 CEEDHN N#Cc1cccc(CNCCC[C@H]2CCCCO2)n1 ZINC000602618937 347106766 /nfs/dbraw/zinc/10/67/66/347106766.db2.gz UBIPMPZRUORSIS-OAHLLOKOSA-N 0 3 259.353 2.392 20 30 CEEDHN C[C@H](CCC#N)CN1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000602641872 347118883 /nfs/dbraw/zinc/11/88/83/347118883.db2.gz GCWLAMJALNZPSK-KFWWJZLASA-N 0 3 266.385 2.196 20 30 CEEDHN CCOC1(CNCc2cccc(C#N)n2)CCCC1 ZINC000602674079 347136330 /nfs/dbraw/zinc/13/63/30/347136330.db2.gz HEACEGDTNRGBTH-UHFFFAOYSA-N 0 3 259.353 2.392 20 30 CEEDHN C[C@H](CNCc1cccc(C#N)n1)c1ccccn1 ZINC000602707399 347161994 /nfs/dbraw/zinc/16/19/94/347161994.db2.gz VQYMOUPSMFFSPO-GFCCVEGCSA-N 0 3 252.321 2.242 20 30 CEEDHN COCCN(Cc1cccnc1)C[C@H](C)CCC#N ZINC000602654335 347125815 /nfs/dbraw/zinc/12/58/15/347125815.db2.gz AESVTVRGJCPKEN-CQSZACIVSA-N 0 3 261.369 2.470 20 30 CEEDHN N#Cc1cccc(CNCC2CCC(C#N)CC2)n1 ZINC000602656125 347126919 /nfs/dbraw/zinc/12/69/19/347126919.db2.gz MPVADFWILOMYGE-UHFFFAOYSA-N 0 3 254.337 2.373 20 30 CEEDHN CO[C@H](CNCc1ccc(C#N)c(Cl)c1)[C@@H]1CCOC1 ZINC000602659092 347127768 /nfs/dbraw/zinc/12/77/68/347127768.db2.gz NAPWJBHBTPBALD-UKRRQHHQSA-N 0 3 294.782 2.353 20 30 CEEDHN COCc1nc(CNC2CCC(C#N)CC2)cs1 ZINC000602667252 347132358 /nfs/dbraw/zinc/13/23/58/347132358.db2.gz PCDFVHWOXPYGIH-UHFFFAOYSA-N 0 3 265.382 2.461 20 30 CEEDHN CN1CCN(Cc2cccc(C#N)n2)c2ccccc2C1 ZINC000602668259 347133667 /nfs/dbraw/zinc/13/36/67/347133667.db2.gz DLASSIWMNQRRPO-UHFFFAOYSA-N 0 3 278.359 2.405 20 30 CEEDHN COCCCOC1CCN(CC2(CC#N)CC2)CC1 ZINC000602786754 347198233 /nfs/dbraw/zinc/19/82/33/347198233.db2.gz XNSNYEWGGUHZNX-UHFFFAOYSA-N 0 3 266.385 2.198 20 30 CEEDHN N#CCC1(CN[C@@H](CN2CCOCC2)c2ccccc2)CC1 ZINC000602803038 347205803 /nfs/dbraw/zinc/20/58/03/347205803.db2.gz VOXKPRNMYQFGAB-KRWDZBQOSA-N 0 3 299.418 2.343 20 30 CEEDHN N#Cc1cccc(C2(NCc3cc[nH]c(=O)c3)CC2)c1 ZINC000602803700 347206034 /nfs/dbraw/zinc/20/60/34/347206034.db2.gz CROJTTFXCSKMNW-UHFFFAOYSA-N 0 3 265.316 2.438 20 30 CEEDHN CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1cccc(C#N)n1 ZINC000602723768 347171353 /nfs/dbraw/zinc/17/13/53/347171353.db2.gz SUJXGQPEBBOBSV-HOCLYGCPSA-N 0 3 287.363 2.165 20 30 CEEDHN N#Cc1cccc(OCCN2CCC[C@H]2c2cn[nH]c2)c1 ZINC000602879433 347236316 /nfs/dbraw/zinc/23/63/16/347236316.db2.gz DMBBFKKINKBALO-INIZCTEOSA-N 0 3 282.347 2.497 20 30 CEEDHN Cc1nc(C2CCN(Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000065287285 362807376 /nfs/dbraw/zinc/80/73/76/362807376.db2.gz JZBORBSXOMPTSL-UHFFFAOYSA-N 0 3 281.363 2.364 20 30 CEEDHN Cc1n[nH]c(C2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000065287285 362807381 /nfs/dbraw/zinc/80/73/81/362807381.db2.gz JZBORBSXOMPTSL-UHFFFAOYSA-N 0 3 281.363 2.364 20 30 CEEDHN CC1(F)CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000602992402 347269164 /nfs/dbraw/zinc/26/91/64/347269164.db2.gz SAQRDIREHXXBNG-CQSZACIVSA-N 0 3 292.354 2.122 20 30 CEEDHN CCN(CCC#N)C(=O)CN(C)C[C@H](C)C(C)(C)C ZINC000603057087 347277987 /nfs/dbraw/zinc/27/79/87/347277987.db2.gz ZYMCGVKFNOCHTC-ZDUSSCGKSA-N 0 3 267.417 2.363 20 30 CEEDHN CN(C)CCNc1cccc(-n2cccc2)c1C#N ZINC000603266587 347325292 /nfs/dbraw/zinc/32/52/92/347325292.db2.gz DHMZOLBRTQZMMW-UHFFFAOYSA-N 0 3 254.337 2.322 20 30 CEEDHN CN1CCC(Nc2cc(C#N)c(Br)cn2)CC1 ZINC000603268613 347325570 /nfs/dbraw/zinc/32/55/70/347325570.db2.gz IJMXQSPDYHKUJV-UHFFFAOYSA-N 0 3 295.184 2.222 20 30 CEEDHN CC[C@H](N)c1cn(CCCOc2cccc(C#N)c2)nn1 ZINC000603242652 347320263 /nfs/dbraw/zinc/32/02/63/347320263.db2.gz OPJBXEJDLHXNTF-AWEZNQCLSA-N 0 3 285.351 2.029 20 30 CEEDHN N#CC1(Cn2cc(CNC3CCCCC3)nn2)CCC1 ZINC000603254933 347322781 /nfs/dbraw/zinc/32/27/81/347322781.db2.gz BJSCTKAAIRISFG-UHFFFAOYSA-N 0 3 273.384 2.394 20 30 CEEDHN COCc1cc(CNCC2CCC(C#N)CC2)no1 ZINC000603436357 347370203 /nfs/dbraw/zinc/37/02/03/347370203.db2.gz XRPARUBBBNIDAE-UHFFFAOYSA-N 0 3 263.341 2.241 20 30 CEEDHN CCN(C[C@@H]1COCCO1)[C@@H](C)c1ccc(C#N)cc1 ZINC000336824155 365880603 /nfs/dbraw/zinc/88/06/03/365880603.db2.gz SXKLGNUMFJNNGW-XJKSGUPXSA-N 0 3 274.364 2.357 20 30 CEEDHN Cc1nnc(N[C@H]2CN(C(C)C)C[C@@H]2C)c(C#N)c1C ZINC000129732063 365891050 /nfs/dbraw/zinc/89/10/50/365891050.db2.gz UOKAWGKEWHNOAR-HZMBPMFUSA-N 0 3 273.384 2.106 20 30 CEEDHN N#CCCCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609140471 347628044 /nfs/dbraw/zinc/62/80/44/347628044.db2.gz DEWNFZLPAYGVJW-UHFFFAOYSA-N 0 3 291.307 2.149 20 30 CEEDHN N#Cc1cccc(OCCN2CCC[C@H](n3ccnc3)C2)c1 ZINC000609157342 347629391 /nfs/dbraw/zinc/62/93/91/347629391.db2.gz DXSXBZMBGKPCIZ-INIZCTEOSA-N 0 3 296.374 2.471 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000609620091 347647310 /nfs/dbraw/zinc/64/73/10/347647310.db2.gz CGTGWNDSKOKPOS-QWRGUYRKSA-N 0 3 293.317 2.067 20 30 CEEDHN CC(C#N)C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000610445936 347682183 /nfs/dbraw/zinc/68/21/83/347682183.db2.gz KVZKAYNKSYBQHP-CABCVRRESA-N 0 3 285.391 2.269 20 30 CEEDHN CC[C@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)N(C)C ZINC000610810264 347716109 /nfs/dbraw/zinc/71/61/09/347716109.db2.gz LNCGLKFJFUWPDB-SMDDNHRTSA-N 0 3 259.353 2.076 20 30 CEEDHN COC(=O)C(C)(C)[C@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000610825701 347716570 /nfs/dbraw/zinc/71/65/70/347716570.db2.gz WQCSIQNWEYPMMP-DGCLKSJQSA-N 0 3 288.347 2.203 20 30 CEEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)[C@H]1CN(C)CCO1 ZINC000611394721 347773326 /nfs/dbraw/zinc/77/33/26/347773326.db2.gz YYDSDAHCUZNEPO-DOPJRALCSA-N 0 3 299.418 2.244 20 30 CEEDHN Cc1ccc(C#N)nc1NCCN1CCC(C)CC1 ZINC000611399233 347774064 /nfs/dbraw/zinc/77/40/64/347774064.db2.gz BVVNRKPMPLDQRQ-UHFFFAOYSA-N 0 3 258.369 2.406 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000611404467 347774580 /nfs/dbraw/zinc/77/45/80/347774580.db2.gz OOWAYLYGEMVPCC-WCQYABFASA-N 0 3 264.325 2.491 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000611404468 347775025 /nfs/dbraw/zinc/77/50/25/347775025.db2.gz OOWAYLYGEMVPCC-YPMHNXCESA-N 0 3 264.325 2.491 20 30 CEEDHN N#Cc1cccc(C2(NC[C@@H]3CNc4ccnn4C3)CC2)c1 ZINC000610972019 347726604 /nfs/dbraw/zinc/72/66/04/347726604.db2.gz MSAONGWDBCRNEX-AWEZNQCLSA-N 0 3 293.374 2.075 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCCN(c2ccccc2C#N)CC1 ZINC000611072314 347736223 /nfs/dbraw/zinc/73/62/23/347736223.db2.gz QIPTXKQYYBVQOE-QGZVFWFLSA-N 0 3 285.391 2.007 20 30 CEEDHN CCN1CCN(Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000611092068 347739143 /nfs/dbraw/zinc/73/91/43/347739143.db2.gz IARSVRORZWGZFJ-CQSZACIVSA-N 0 3 282.391 2.337 20 30 CEEDHN CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1ccccc1C#N ZINC000611120923 347741849 /nfs/dbraw/zinc/74/18/49/347741849.db2.gz JBQCEFPJUJDXFI-RHSMWYFYSA-N 0 3 285.391 2.295 20 30 CEEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@H](C(F)F)C2)cc1 ZINC000611180124 347748437 /nfs/dbraw/zinc/74/84/37/347748437.db2.gz SDPBWDCOIZGCTO-GFCCVEGCSA-N 0 3 293.317 2.474 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612366597 347874790 /nfs/dbraw/zinc/87/47/90/347874790.db2.gz SETXQBFXDNMEEZ-UMVBOHGHSA-N 0 3 263.385 2.011 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612366594 347874868 /nfs/dbraw/zinc/87/48/68/347874868.db2.gz SETXQBFXDNMEEZ-GUTXKFCHSA-N 0 3 263.385 2.011 20 30 CEEDHN C=C[C@H](O)C(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000612648968 347912449 /nfs/dbraw/zinc/91/24/49/347912449.db2.gz NSWOKHDSHOAYFW-HNNXBMFYSA-N 0 3 274.364 2.076 20 30 CEEDHN COC[C@@](C)(CCO)NCc1ccc(C(C)(C)C#N)cc1 ZINC000614171219 348154357 /nfs/dbraw/zinc/15/43/57/348154357.db2.gz GHZSQWUMEVWHBJ-QGZVFWFLSA-N 0 3 290.407 2.365 20 30 CEEDHN CC(=O)N1CC[C@H](NCc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000614205117 348157150 /nfs/dbraw/zinc/15/71/50/348157150.db2.gz XNESKOXMTJIAPS-ZBEGNZNMSA-N 0 3 289.354 2.044 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N1CCCN(C)C[C@@H]1CC)OCC ZINC000614333016 348181185 /nfs/dbraw/zinc/18/11/85/348181185.db2.gz YIQJHQPEAFBSSM-LSDHHAIUSA-N 0 3 282.428 2.300 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](n2cncn2)C1 ZINC000614963611 348261138 /nfs/dbraw/zinc/26/11/38/348261138.db2.gz JHZZPXIVUUTYOK-SWLSCSKDSA-N 0 3 267.336 2.158 20 30 CEEDHN CC(C)C[C@]1(CO)CCCN1Cc1ccnc(C#N)c1 ZINC000616136182 348445731 /nfs/dbraw/zinc/44/57/31/348445731.db2.gz YSEHMUYMQMMIQE-INIZCTEOSA-N 0 3 273.380 2.326 20 30 CEEDHN COc1cccc2c1OC[C@H](N[C@@H]1CC[C@H](C#N)C1)C2 ZINC000617583046 348744112 /nfs/dbraw/zinc/74/41/12/348744112.db2.gz NRDMJPODHKAXER-IACUBPJLSA-N 0 3 272.348 2.281 20 30 CEEDHN COCC[C@]1(NCc2ccc(C#N)cc2Cl)CCOC1 ZINC000618551181 348973311 /nfs/dbraw/zinc/97/33/11/348973311.db2.gz ZRJKBZWPLFOUDG-HNNXBMFYSA-N 0 3 294.782 2.497 20 30 CEEDHN CO[C@@H]1CC[C@@H]2OCCN(C[C@H](C)CCC#N)[C@H]2C1 ZINC000618887793 349059593 /nfs/dbraw/zinc/05/95/93/349059593.db2.gz IKBKKMRKECUAGB-KBXIAJHMSA-N 0 3 266.385 2.195 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCCOC2)cc1Cl ZINC000619755730 349233160 /nfs/dbraw/zinc/23/31/60/349233160.db2.gz QQJHGTDMZKQHMT-GFCCVEGCSA-N 0 3 250.729 2.480 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000623748858 350100428 /nfs/dbraw/zinc/10/04/28/350100428.db2.gz KWGBQFVSABNKJA-GUTXKFCHSA-N 0 3 277.412 2.077 20 30 CEEDHN C=CCc1cc(CN[C@H]2C[C@H](OC)C2)cc(OC)c1O ZINC000623807562 350114860 /nfs/dbraw/zinc/11/48/60/350114860.db2.gz JOFMZOQQVFJROQ-HDJSIYSDSA-N 0 3 277.364 2.396 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000623872838 350131705 /nfs/dbraw/zinc/13/17/05/350131705.db2.gz QAEZQBLRUZWMSK-UONOGXRCSA-N 0 3 277.412 2.244 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H](CC)CSC ZINC000091098989 180096560 /nfs/dbraw/zinc/09/65/60/180096560.db2.gz JZASUGKXLKPOSC-ZDUSSCGKSA-N 0 3 272.458 2.484 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)N[C@@H]2CCN(CCC)C2)C1 ZINC000624381236 350275545 /nfs/dbraw/zinc/27/55/45/350275545.db2.gz IDRBTZPWANMVQB-UONOGXRCSA-N 0 3 265.401 2.078 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000624782361 350360708 /nfs/dbraw/zinc/36/07/08/350360708.db2.gz ISYIMTRCFDPFID-CQSZACIVSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@H](O)CC1(O)CCC1 ZINC000625052059 350397780 /nfs/dbraw/zinc/39/77/80/350397780.db2.gz HLNMCPCHOJJOGZ-MRXNPFEDSA-N 0 3 275.392 2.341 20 30 CEEDHN C=C(C)CN(CC)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625063869 350400145 /nfs/dbraw/zinc/40/01/45/350400145.db2.gz YVWZYNMQDFBKMF-UHFFFAOYSA-N 0 3 296.370 2.184 20 30 CEEDHN CC(C)[C@@H](C(=O)N(C)Cc1ccc(C#N)cc1)N(C)C ZINC000106430491 186116483 /nfs/dbraw/zinc/11/64/83/186116483.db2.gz XTBBSEDSVXHWRL-HNNXBMFYSA-N 0 3 273.380 2.103 20 30 CEEDHN C#CCOc1ccccc1CN(CC)CCC(=O)OC ZINC000092380187 180371523 /nfs/dbraw/zinc/37/15/23/180371523.db2.gz AUPPNEAYJQNEBR-UHFFFAOYSA-N 0 3 275.348 2.084 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCCC2(CC2)CC1 ZINC000626113277 350658029 /nfs/dbraw/zinc/65/80/29/350658029.db2.gz LWADPBHODASIGS-UHFFFAOYSA-N 0 3 262.397 2.453 20 30 CEEDHN C[C@@H]1CSCCN1CCC(=O)Nc1ccccc1C#N ZINC000070219774 363057510 /nfs/dbraw/zinc/05/75/10/363057510.db2.gz PHEVWVXSGRKOAW-GFCCVEGCSA-N 0 3 289.404 2.324 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@@H]2C[C@@H](OCC)C23CCC3)C1=O ZINC000337146974 366040268 /nfs/dbraw/zinc/04/02/68/366040268.db2.gz GADTZVYNNQCXMA-RRFJBIMHSA-N 0 3 292.423 2.053 20 30 CEEDHN C=CCN1CC[C@H](N2CC[C@](C)(c3ccccc3)C2)C1=O ZINC000337184638 366060287 /nfs/dbraw/zinc/06/02/87/366060287.db2.gz NXVRBKOWOGPCQI-WMZOPIPTSA-N 0 3 284.403 2.437 20 30 CEEDHN C[C@H]1CN(CCCC2(C#N)CCOCC2)[C@@H](C)CN1C ZINC000337197111 366067739 /nfs/dbraw/zinc/06/77/39/366067739.db2.gz YDGVCZTULGNTQG-GJZGRUSLSA-N 0 3 279.428 2.111 20 30 CEEDHN N#Cc1cccc(NC(=O)[C@@H](C2CC2)N2CCCC2)c1 ZINC000122849870 187055555 /nfs/dbraw/zinc/05/55/55/187055555.db2.gz RACJTJOKVQVGCS-OAHLLOKOSA-N 0 3 269.348 2.371 20 30 CEEDHN CC(C)N(CCOc1ccc(C#N)cc1)[C@H]1CCOC1 ZINC000291948633 198114453 /nfs/dbraw/zinc/11/44/53/198114453.db2.gz UMUAAMOJPNEOBQ-HNNXBMFYSA-N 0 3 274.364 2.436 20 30 CEEDHN C=CCN(CCn1cnc2ccccc2c1=O)C1CC1 ZINC000271521999 191191313 /nfs/dbraw/zinc/19/13/13/191191313.db2.gz VVLMRRBBDLJYLY-UHFFFAOYSA-N 0 3 269.348 2.047 20 30 CEEDHN C#CCSCCNCc1cc2ccccc2[nH]c1=O ZINC000152931533 188053962 /nfs/dbraw/zinc/05/39/62/188053962.db2.gz HNWOPHMBOFVQLF-UHFFFAOYSA-N 0 3 272.373 2.396 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000153032594 188060506 /nfs/dbraw/zinc/06/05/06/188060506.db2.gz WVOBWEYDLVCMCG-FMKPAKJESA-N 0 3 257.333 2.108 20 30 CEEDHN CCCCCN(CCO)C[C@@H](O)c1ccc(C#N)cc1 ZINC000156367876 188258222 /nfs/dbraw/zinc/25/82/22/188258222.db2.gz FOYWUFJFLHICEF-MRXNPFEDSA-N 0 3 276.380 2.076 20 30 CEEDHN CC#CCN(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000157441700 188318228 /nfs/dbraw/zinc/31/82/28/188318228.db2.gz NOJQOASLOFFRRR-CYBMUJFWSA-N 0 3 254.337 2.283 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@](O)(C2CC2)C1 ZINC000336425114 213285184 /nfs/dbraw/zinc/28/51/84/213285184.db2.gz JXFXPXMACGTIPO-WBMJQRKESA-N 0 3 256.349 2.466 20 30 CEEDHN C[C@@H](NC(=O)N[C@@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000073812353 363251277 /nfs/dbraw/zinc/25/12/77/363251277.db2.gz OYBJCMFFNFXESB-IUODEOHRSA-N 0 3 286.379 2.013 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H]2OC(F)F)o1 ZINC000337307078 366136960 /nfs/dbraw/zinc/13/69/60/366136960.db2.gz SDGKJRJGMJKUHI-GHMZBOCLSA-N 0 3 256.252 2.401 20 30 CEEDHN COc1cc(C(=O)C(C#N)c2ccccn2)cc(C)n1 ZINC000337350280 366143142 /nfs/dbraw/zinc/14/31/42/366143142.db2.gz RVGCVCXGSGCYTN-LBPRGKRZSA-N 0 3 267.288 2.284 20 30 CEEDHN CCC[C@@H](C#N)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000074250927 363315054 /nfs/dbraw/zinc/31/50/54/363315054.db2.gz QEAKUTILRDFAGA-OLZOCXBDSA-N 0 3 251.374 2.059 20 30 CEEDHN C[C@H](O)CN1CCN(CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000337416223 366147824 /nfs/dbraw/zinc/14/78/24/366147824.db2.gz NTMXMVZWIWLFPD-CABCVRRESA-N 0 3 281.444 2.093 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2ccsc2)CC1 ZINC000132590203 366155297 /nfs/dbraw/zinc/15/52/97/366155297.db2.gz CNXLBKVPRFUCPL-UHFFFAOYSA-N 0 3 264.394 2.472 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000338129069 366204270 /nfs/dbraw/zinc/20/42/70/366204270.db2.gz BBFDBQJKRYDUIG-BDJLRTHQSA-N 0 3 283.375 2.079 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@](C)(CO)C1CCCCC1 ZINC000132996662 366185590 /nfs/dbraw/zinc/18/55/90/366185590.db2.gz JLZPAAVCAHSQLU-QGZVFWFLSA-N 0 3 296.455 2.332 20 30 CEEDHN C=CCC[C@@H](O)CNC1(C(=O)NCCC)CCCCC1 ZINC000133096793 366194460 /nfs/dbraw/zinc/19/44/60/366194460.db2.gz MKVQGPQUFZBVAM-CQSZACIVSA-N 0 3 282.428 2.132 20 30 CEEDHN N#CC1(c2ccccc2)CC(NC[C@H]2CCC[C@@H]2O)C1 ZINC000089164818 283049587 /nfs/dbraw/zinc/04/95/87/283049587.db2.gz GHNWJVZFWZDJPP-AKBUMOGYSA-N 0 3 270.376 2.361 20 30 CEEDHN C=CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074804377 363396416 /nfs/dbraw/zinc/39/64/16/363396416.db2.gz FZJKOIMVSBVRPE-INIZCTEOSA-N 0 3 287.407 2.478 20 30 CEEDHN COC[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)OC ZINC000272653533 191848380 /nfs/dbraw/zinc/84/83/80/191848380.db2.gz GBUMUOKZQUCHLF-GWCFXTLKSA-N 0 3 266.316 2.009 20 30 CEEDHN C[C@H](NC(=O)Nc1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000273016592 192020504 /nfs/dbraw/zinc/02/05/04/192020504.db2.gz WRRGVKMRBLUHOV-LBPRGKRZSA-N 0 3 284.363 2.330 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000352830226 283147583 /nfs/dbraw/zinc/14/75/83/283147583.db2.gz CFSTYYRZYPQSIK-LLVKDONJSA-N 0 3 270.254 2.456 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCC(=O)NC1 ZINC000360654770 283192757 /nfs/dbraw/zinc/19/27/57/283192757.db2.gz ACIWLPXGHLWTIY-GOEBONIOSA-N 0 3 283.375 2.194 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@H]1COCCO1 ZINC000360648207 283192791 /nfs/dbraw/zinc/19/27/91/283192791.db2.gz QDDRIMPTNOZWFY-DOTOQJQBSA-N 0 3 286.375 2.331 20 30 CEEDHN C=CCc1cc(CNC[C@H]2CCCO2)cc(OC)c1O ZINC000076274877 363532921 /nfs/dbraw/zinc/53/29/21/363532921.db2.gz WAXZZDKORKEJEP-CQSZACIVSA-N 0 3 277.364 2.398 20 30 CEEDHN N#Cc1cccc(CN2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c1 ZINC000363097284 283205917 /nfs/dbraw/zinc/20/59/17/283205917.db2.gz RGGKJPRBKVJGCU-XHSDSOJGSA-N 0 3 283.375 2.177 20 30 CEEDHN C=CCN(CC=C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000079293719 363588542 /nfs/dbraw/zinc/58/85/42/363588542.db2.gz GTUZUGJINDSOQE-AWEZNQCLSA-N 0 3 265.401 2.244 20 30 CEEDHN N#Cc1ccc(C(=O)N2CCCC[C@H](N3CCCC3)C2)o1 ZINC000336245966 213078129 /nfs/dbraw/zinc/07/81/29/213078129.db2.gz DTTGOJHHFOKDJL-ZDUSSCGKSA-N 0 3 287.363 2.242 20 30 CEEDHN N#Cc1ccc(CNCC2(CO)CCCC2)c(F)c1 ZINC000135090228 366394863 /nfs/dbraw/zinc/39/48/63/366394863.db2.gz ZEQCSKAFTUVCKS-UHFFFAOYSA-N 0 3 262.328 2.340 20 30 CEEDHN C=CCCN1CCC[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000338543706 366402338 /nfs/dbraw/zinc/40/23/38/366402338.db2.gz RJSOJSSINBCHNL-JKSUJKDBSA-N 0 3 298.386 2.212 20 30 CEEDHN OC1([C@@H]2CCCCN2CC#Cc2ccccc2)CC1 ZINC000579445296 366646300 /nfs/dbraw/zinc/64/63/00/366646300.db2.gz OZYZUKSBIBFIOW-INIZCTEOSA-N 0 3 255.361 2.418 20 30 CEEDHN CC(C)OCCN1CCC(NCc2ccc(C#N)o2)CC1 ZINC000176748880 189007384 /nfs/dbraw/zinc/00/73/84/189007384.db2.gz IRYYYHQITUSUGD-UHFFFAOYSA-N 0 3 291.395 2.130 20 30 CEEDHN C=CCN1CCC(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178216240 189099063 /nfs/dbraw/zinc/09/90/63/189099063.db2.gz PZTXUYWFXKSJII-UHFFFAOYSA-N 0 3 276.340 2.361 20 30 CEEDHN N#Cc1csc(CN[C@@H](CO)C2CCCC2)c1 ZINC000353078415 219851016 /nfs/dbraw/zinc/85/10/16/219851016.db2.gz HEUYUQJQILCNSN-ZDUSSCGKSA-N 0 3 250.367 2.260 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000675196535 540815716 /nfs/dbraw/zinc/81/57/16/540815716.db2.gz BYTGNKWAZPVPNL-AWEZNQCLSA-N 0 3 267.417 2.468 20 30 CEEDHN C=CCNC(=O)CN[C@@H](c1ccccc1C)C1CC1 ZINC000179898626 189226477 /nfs/dbraw/zinc/22/64/77/189226477.db2.gz XWGJNCMBYJBKHH-MRXNPFEDSA-N 0 3 258.365 2.338 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ccnc(C)c2)CC1 ZINC000179837615 189223008 /nfs/dbraw/zinc/22/30/08/189223008.db2.gz XLWFHZGENUQEKL-UHFFFAOYSA-N 0 3 274.368 2.162 20 30 CEEDHN C[C@H](O)CCN(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180170419 189241403 /nfs/dbraw/zinc/24/14/03/189241403.db2.gz SNILMMPAXCYVEQ-ZDUSSCGKSA-N 0 3 298.390 2.161 20 30 CEEDHN CC(=O)c1[nH]c(CCN(C)Cc2cccc(C#N)c2)nc1C ZINC000677475575 541017851 /nfs/dbraw/zinc/01/78/51/541017851.db2.gz CTORKGMQKPXRSB-UHFFFAOYSA-N 0 3 296.374 2.467 20 30 CEEDHN Cc1cc(CNC[C@H](CO)c2cccnc2)ccc1C#N ZINC000342278310 216288888 /nfs/dbraw/zinc/28/88/88/216288888.db2.gz CZWBBJIWARFMNX-QGZVFWFLSA-N 0 3 281.359 2.127 20 30 CEEDHN CC#CCN(Cc1ccccc1)C[C@@]1(O)CCO[C@@H]1C ZINC000579914083 366719115 /nfs/dbraw/zinc/71/91/15/366719115.db2.gz NZAJSQSYNCYZNH-WBVHZDCISA-N 0 3 273.376 2.052 20 30 CEEDHN CN(C)CCSc1ccc(C#N)cc1[N+](=O)[O-] ZINC000301585765 201081560 /nfs/dbraw/zinc/08/15/60/201081560.db2.gz BAJDHALYXMMUMS-UHFFFAOYSA-N 0 3 251.311 2.120 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(NC(=O)CCCCC)CC1 ZINC000678049673 541072866 /nfs/dbraw/zinc/07/28/66/541072866.db2.gz OKUQKTBLPVRZEW-OAHLLOKOSA-N 0 3 282.428 2.084 20 30 CEEDHN CC(C)NC(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000155713851 366821610 /nfs/dbraw/zinc/82/16/10/366821610.db2.gz HTLPLUYABJUEHC-VIFPVBQESA-N 0 3 271.242 2.232 20 30 CEEDHN N#Cc1cnn2cc(CNC[C@@H]3C[C@H]3C3CCC3)cnc12 ZINC000571800807 299328989 /nfs/dbraw/zinc/32/89/89/299328989.db2.gz LWRGPYGPQNRDOX-ZFWWWQNUSA-N 0 3 281.363 2.127 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)c1nccc(C#N)c1Cl ZINC000342410487 216343979 /nfs/dbraw/zinc/34/39/79/216343979.db2.gz SWBCRHVHWKWVHY-LLVKDONJSA-N 0 3 278.787 2.385 20 30 CEEDHN N#Cc1cccc(CN(CCC(N)=O)Cc2ccccc2)c1 ZINC000027548086 361654160 /nfs/dbraw/zinc/65/41/60/361654160.db2.gz MHHJUODTQOBGSO-UHFFFAOYSA-N 0 3 293.370 2.436 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000678779323 541172133 /nfs/dbraw/zinc/17/21/33/541172133.db2.gz BJOUHRPWJHGUMB-CJNGLKHVSA-N 0 3 271.364 2.460 20 30 CEEDHN N#Cc1csc(C(=O)N2CCC[C@H]2CN2CCCC2)c1 ZINC000084183161 363799926 /nfs/dbraw/zinc/79/99/26/363799926.db2.gz BCHPDNXNOKINJH-ZDUSSCGKSA-N 0 3 289.404 2.320 20 30 CEEDHN CC(C)C[C@H](CNC(=O)c1cc(C#N)cs1)N(C)C ZINC000084180249 363800127 /nfs/dbraw/zinc/80/01/27/363800127.db2.gz PZCQXPDVAJGLBL-GFCCVEGCSA-N 0 3 279.409 2.326 20 30 CEEDHN C=CCOCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000679494753 541281533 /nfs/dbraw/zinc/28/15/33/541281533.db2.gz ZYAQJCFNKFVWHX-UHFFFAOYSA-N 0 3 277.368 2.072 20 30 CEEDHN C=C(C)CN(C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000679359219 541264570 /nfs/dbraw/zinc/26/45/70/541264570.db2.gz LNMDBSDFUSVHOH-UHFFFAOYSA-N 0 3 268.382 2.066 20 30 CEEDHN CN(Cc1cccc(C#N)c1F)[C@H]1CC[C@H](O)CC1 ZINC000336352226 213201802 /nfs/dbraw/zinc/20/18/02/213201802.db2.gz VBIXCYLXNWCEHE-HDJSIYSDSA-N 0 3 262.328 2.433 20 30 CEEDHN C=C(C)COCCNC[C@@H](Cc1ccccc1)OC ZINC000638758173 370729500 /nfs/dbraw/zinc/72/95/00/370729500.db2.gz VILZXURWJYLTKX-MRXNPFEDSA-N 0 3 263.381 2.426 20 30 CEEDHN N#Cc1csc(CNC[C@@H]2CCCC[C@@H]2O)c1 ZINC000093492689 364193764 /nfs/dbraw/zinc/19/37/64/364193764.db2.gz GXVISKCJCVIOJE-AAEUAGOBSA-N 0 3 250.367 2.260 20 30 CEEDHN C#CCOc1ccccc1CN1CC[C@@](C)(C(=O)OC)C1 ZINC000093813870 364231483 /nfs/dbraw/zinc/23/14/83/364231483.db2.gz QHVOEDUMGUFBTE-QGZVFWFLSA-N 0 3 287.359 2.084 20 30 CEEDHN N#Cc1ccc(N[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000094591846 364281655 /nfs/dbraw/zinc/28/16/55/364281655.db2.gz RTQOPOBRLNAPLW-LBPRGKRZSA-N 0 3 272.308 2.115 20 30 CEEDHN C[C@@H]1CCC[C@H](N(C)CC(=O)N(CCC#N)CCC#N)C1 ZINC000097259071 364487895 /nfs/dbraw/zinc/48/78/95/364487895.db2.gz QJDCCUAUUKXZSA-CABCVRRESA-N 0 3 290.411 2.153 20 30 CEEDHN C=CCN(CC=C)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000098030134 364525056 /nfs/dbraw/zinc/52/50/56/364525056.db2.gz JISAJWGPJGEFPZ-LSDHHAIUSA-N 0 3 279.428 2.490 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ncoc1C)C(C)C ZINC000102487221 364596777 /nfs/dbraw/zinc/59/67/77/364596777.db2.gz ZOAINJZKRYKCSH-AWEZNQCLSA-N 0 3 291.395 2.411 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)NCC2CCC(C#N)CC2)CCN1C ZINC000335230631 364659254 /nfs/dbraw/zinc/65/92/54/364659254.db2.gz YRWWDRLXWBTZLF-XSCHDIRWSA-N 0 3 292.427 2.098 20 30 CEEDHN C[C@H]1[C@@H](CO)CCCN1Cc1ccc(C#N)s1 ZINC000335632220 212346206 /nfs/dbraw/zinc/34/62/06/212346206.db2.gz DMPLPGCRNFHWLC-WDEREUQCSA-N 0 3 250.367 2.213 20 30 CEEDHN COC[C@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000112985387 364863394 /nfs/dbraw/zinc/86/33/94/364863394.db2.gz PUSPCUYWPWRFHA-AWEZNQCLSA-N 0 3 274.364 2.295 20 30 CEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)NCC(C)(C)CC#N)C1 ZINC000335588835 364809427 /nfs/dbraw/zinc/80/94/27/364809427.db2.gz HBVTVNRJFINVRJ-KBPBESRZSA-N 0 3 292.427 2.052 20 30 CEEDHN C[C@H](O)C[C@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000342840769 216568987 /nfs/dbraw/zinc/56/89/87/216568987.db2.gz AFDCBFANWDYMFL-DZGCQCFKSA-N 0 3 298.390 2.331 20 30 CEEDHN C=CC[C@@H](CO)NCc1c[nH]nc1-c1ccc(C)cc1 ZINC000680484526 541418357 /nfs/dbraw/zinc/41/83/57/541418357.db2.gz LMQKTNIVZRQXJM-HNNXBMFYSA-N 0 3 271.364 2.412 20 30 CEEDHN C=CC1CCN(CCn2cnc3ccccc3c2=O)CC1 ZINC000117341030 365103462 /nfs/dbraw/zinc/10/34/62/365103462.db2.gz ICMJJUYUVOIJKS-UHFFFAOYSA-N 0 3 283.375 2.295 20 30 CEEDHN C=CCCCN1CCN(Cc2cn3ccccc3n2)CC1 ZINC000117871641 365128319 /nfs/dbraw/zinc/12/83/19/365128319.db2.gz KARURHFXKBLFGX-UHFFFAOYSA-N 0 3 284.407 2.418 20 30 CEEDHN C[C@@H]1CN(Cc2cccc(C#N)c2F)[C@H](C)CN1C ZINC000335951401 365209098 /nfs/dbraw/zinc/20/90/98/365209098.db2.gz VXBGHFAXWKDSST-VXGBXAGGSA-N 0 3 261.344 2.222 20 30 CEEDHN COc1cc(CN[C@@H](C)C(C)(C)OC)ccc1C#N ZINC000340397761 366871933 /nfs/dbraw/zinc/87/19/33/366871933.db2.gz VNEPAKUBPLAVNR-NSHDSACASA-N 0 3 262.353 2.470 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000336070003 365364917 /nfs/dbraw/zinc/36/49/17/365364917.db2.gz WYLRZDUBSYTXHU-HTQZYQBOSA-N 0 3 282.141 2.181 20 30 CEEDHN N#Cc1cccc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1 ZINC000336138049 365463349 /nfs/dbraw/zinc/46/33/49/365463349.db2.gz PRONGVTZIDPRLT-OAHLLOKOSA-N 0 3 283.375 2.305 20 30 CEEDHN N#Cc1csc(CN[C@H]2CCN(c3ccccn3)C2)c1 ZINC000120627539 365452757 /nfs/dbraw/zinc/45/27/57/365452757.db2.gz PCFPWFBKBUNBKO-ZDUSSCGKSA-N 0 3 284.388 2.383 20 30 CEEDHN C[C@@H](O)C[C@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000159248294 366893139 /nfs/dbraw/zinc/89/31/39/366893139.db2.gz SUWDGTOLKGYONB-BXUZGUMPSA-N 0 3 262.328 2.433 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CCc1ccc(C#N)cc1 ZINC000120796218 365477311 /nfs/dbraw/zinc/47/73/11/365477311.db2.gz YTNFMCGPWLECJU-PBHICJAKSA-N 0 3 299.418 2.289 20 30 CEEDHN C=CCCC[NH2+][C@H](c1nc(-c2nc[n-]n2)no1)C(C)C ZINC000120863354 365487251 /nfs/dbraw/zinc/48/72/51/365487251.db2.gz HOMSBTPSUVFPLQ-JTQLQIEISA-N 0 3 276.344 2.108 20 30 CEEDHN C=CCCCN[C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000120863354 365487254 /nfs/dbraw/zinc/48/72/54/365487254.db2.gz HOMSBTPSUVFPLQ-JTQLQIEISA-N 0 3 276.344 2.108 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)CCN1C ZINC000336164316 365499890 /nfs/dbraw/zinc/49/98/90/365499890.db2.gz ZPAZZEKBUJAMOF-ZWNOBZJWSA-N 0 3 290.342 2.302 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2CC[C@H](CC3CC3)C2)cc1 ZINC000582434072 366911473 /nfs/dbraw/zinc/91/14/73/366911473.db2.gz FUBRKXVXYGSIBK-QGZVFWFLSA-N 0 3 297.402 2.296 20 30 CEEDHN N#Cc1ccc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)o1 ZINC000159593084 366930119 /nfs/dbraw/zinc/93/01/19/366930119.db2.gz SHPFTWHDOATYQN-RDBSUJKOSA-N 0 3 258.321 2.198 20 30 CEEDHN Cc1ccc(C#N)c(NCCN2CCC[C@@H](C)C2)n1 ZINC000160607692 367022786 /nfs/dbraw/zinc/02/27/86/367022786.db2.gz ZQBFMIAKTFYGEY-GFCCVEGCSA-N 0 3 258.369 2.406 20 30 CEEDHN CN1CC[C@H](NC(=O)NCC2(C#N)CC2)[C@H]1c1ccccc1 ZINC000583299605 367027676 /nfs/dbraw/zinc/02/76/76/367027676.db2.gz FYSBBCJQAOYANC-LSDHHAIUSA-N 0 3 298.390 2.035 20 30 CEEDHN CCN(Cc1cnc2c(C#N)cnn2c1)CC(C)(C)C ZINC000583753104 367091922 /nfs/dbraw/zinc/09/19/22/367091922.db2.gz NWURZXXQUPMRPX-UHFFFAOYSA-N 0 3 271.368 2.469 20 30 CEEDHN C[C@@H](C#N)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000357834778 370831199 /nfs/dbraw/zinc/83/11/99/370831199.db2.gz SDCWDGRIYHLSSP-STQMWFEESA-N 0 3 291.420 2.236 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000357834229 370831240 /nfs/dbraw/zinc/83/12/40/370831240.db2.gz QPQMYZOJPZLBFW-MNOVXSKESA-N 0 3 285.347 2.372 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CCCCCC#N ZINC000588459423 367193095 /nfs/dbraw/zinc/19/30/95/367193095.db2.gz KHNXHJAGSSFTAU-ZIAGYGMSSA-N 0 3 265.401 2.259 20 30 CEEDHN CN(C(=O)CCCCCC#N)[C@H]1CCCN(C)C1 ZINC000588544032 367194781 /nfs/dbraw/zinc/19/47/81/367194781.db2.gz GWWQBASURJXLFQ-ZDUSSCGKSA-N 0 3 251.374 2.013 20 30 CEEDHN N#Cc1ccc(CNC[C@H](CO)CC2CCCC2)o1 ZINC000341471748 367348173 /nfs/dbraw/zinc/34/81/73/367348173.db2.gz UFILXKJVMSLHKG-CYBMUJFWSA-N 0 3 262.353 2.430 20 30 CEEDHN C=CC[C@@H](C)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000342531346 367418097 /nfs/dbraw/zinc/41/80/97/367418097.db2.gz SYOOFXIRYPAEHG-ZIAGYGMSSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CC[C@H](CC)NCc1c(C)nn(C)c1N1CCOCC1 ZINC000341501805 367360645 /nfs/dbraw/zinc/36/06/45/367360645.db2.gz XXUYSKSZUZBSQA-AWEZNQCLSA-N 0 3 292.427 2.009 20 30 CEEDHN CS[C@@H]1CN(Cc2ccc(F)cc2C#N)C[C@@H]1N(C)C ZINC000342572762 367428766 /nfs/dbraw/zinc/42/87/66/367428766.db2.gz GBATXUJBAAWUED-LSDHHAIUSA-N 0 3 293.411 2.175 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000342739446 367509677 /nfs/dbraw/zinc/50/96/77/367509677.db2.gz KWTSDKMOHBLRPL-FZKCQIBNSA-N 0 3 292.423 2.053 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccoc2C)CC1 ZINC000171741057 367606780 /nfs/dbraw/zinc/60/67/80/367606780.db2.gz NUUSGBQKEJFLBF-UHFFFAOYSA-N 0 3 291.395 2.380 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCCN1C1CCCC1 ZINC000343233138 367715828 /nfs/dbraw/zinc/71/58/28/367715828.db2.gz IGEVEXYPUJCQOD-ZFWWWQNUSA-N 0 3 277.412 2.402 20 30 CEEDHN CCN1CCC[C@H]1CNc1ncc(Cl)c(C)c1C#N ZINC000343431792 367811476 /nfs/dbraw/zinc/81/14/76/367811476.db2.gz HENBVEKNWFKNMP-NSHDSACASA-N 0 3 278.787 2.233 20 30 CEEDHN N#CCc1ccc(CNC2(C(N)=O)CCCCC2)cc1 ZINC000343422504 367804521 /nfs/dbraw/zinc/80/45/21/367804521.db2.gz OBSIHBZJLCPDQL-UHFFFAOYSA-N 0 3 271.364 2.030 20 30 CEEDHN C[C@H]1[C@@H](Nc2c(C#N)nnc3ccccc32)CCCN1C ZINC000343476921 367837640 /nfs/dbraw/zinc/83/76/40/367837640.db2.gz WYJAWAANDTYJIJ-AAEUAGOBSA-N 0 3 281.363 2.396 20 30 CEEDHN C[C@@H]1[C@@H](Nc2nc3c(cc2C#N)CCC3)CCCN1C ZINC000343592397 367905204 /nfs/dbraw/zinc/90/52/04/367905204.db2.gz KWZQSPLCRSGQOV-RISCZKNCSA-N 0 3 270.380 2.337 20 30 CEEDHN CC[C@@H](O)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000173666776 367932453 /nfs/dbraw/zinc/93/24/53/367932453.db2.gz IRSDZALAYKNERS-CQSZACIVSA-N 0 3 274.364 2.172 20 30 CEEDHN CS[C@@H]1CN(Cc2cccc(C#N)c2F)C[C@H]1N(C)C ZINC000343675376 367949055 /nfs/dbraw/zinc/94/90/55/367949055.db2.gz SQMFELYKIZYTAY-ZIAGYGMSSA-N 0 3 293.411 2.175 20 30 CEEDHN C=CCC(CC=C)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000343686772 367953457 /nfs/dbraw/zinc/95/34/57/367953457.db2.gz VIVAJMABZFHQKX-INIZCTEOSA-N 0 3 294.439 2.324 20 30 CEEDHN N#Cc1ccc(CNCCCNC(=O)c2cccs2)o1 ZINC000174388219 368018146 /nfs/dbraw/zinc/01/81/46/368018146.db2.gz CIRLOZBJQDSEAI-UHFFFAOYSA-N 0 3 289.360 2.122 20 30 CEEDHN C#CCN(CCCNC(C)=O)[C@@H]1CCc2ccccc21 ZINC000175120382 368102588 /nfs/dbraw/zinc/10/25/88/368102588.db2.gz BJVXTSMXXTVRDS-QGZVFWFLSA-N 0 3 270.376 2.135 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1C[C@@H](C)CC(C)(C)C1 ZINC000344085592 368107286 /nfs/dbraw/zinc/10/72/86/368107286.db2.gz SJYIBWXSMWFSIE-STQMWFEESA-N 0 3 265.401 2.115 20 30 CEEDHN N#Cc1ccc(CNC[C@H](CO)c2ccccc2)s1 ZINC000175049242 368092545 /nfs/dbraw/zinc/09/25/45/368092545.db2.gz YMHJRDFTSLSOFI-CYBMUJFWSA-N 0 3 272.373 2.485 20 30 CEEDHN C=CCCNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000633346620 368203321 /nfs/dbraw/zinc/20/33/21/368203321.db2.gz MUGHUYGVHXRHPY-INIZCTEOSA-N 0 3 287.407 2.445 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000180035264 368365194 /nfs/dbraw/zinc/36/51/94/368365194.db2.gz FUZKFAAALNHYOL-KGLIPLIRSA-N 0 3 280.412 2.006 20 30 CEEDHN COc1ccc(C2(CNC(=O)C(C)C#N)CCC2)cc1 ZINC000345703223 368380150 /nfs/dbraw/zinc/38/01/50/368380150.db2.gz XOOBNFRPVLGSNN-GFCCVEGCSA-N 0 3 272.348 2.393 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)NCc1ccco1 ZINC000180510278 368384412 /nfs/dbraw/zinc/38/44/12/368384412.db2.gz AQCYYQNPUFWDIC-LBPRGKRZSA-N 0 3 294.314 2.090 20 30 CEEDHN C#CCSCCN[C@@H](C)c1cnn(C(C)C)c1 ZINC000181101057 368420924 /nfs/dbraw/zinc/42/09/24/368420924.db2.gz QRRYGHDPNAGMDU-LBPRGKRZSA-N 0 3 251.399 2.481 20 30 CEEDHN C#CCSCCN[C@@H](C)c1cnc2cc(C)nn2c1C ZINC000181100742 368421590 /nfs/dbraw/zinc/42/15/90/368421590.db2.gz DZCQRCJDRZCFRT-LBPRGKRZSA-N 0 3 288.420 2.363 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)c1ccn(CCN(C)C)n1 ZINC000633966596 368477479 /nfs/dbraw/zinc/47/74/79/368477479.db2.gz QVGTUQRXKWKPFX-UHFFFAOYSA-N 0 3 292.427 2.167 20 30 CEEDHN C#CCNC(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000181665505 368480423 /nfs/dbraw/zinc/48/04/23/368480423.db2.gz MAOYDILERIVDAM-UHFFFAOYSA-N 0 3 272.270 2.481 20 30 CEEDHN CCCC[C@@H](NCC(=O)NCC#N)c1ccc(OC)cc1 ZINC000182151660 368529651 /nfs/dbraw/zinc/52/96/51/368529651.db2.gz XQBMIEQBIUTCNL-OAHLLOKOSA-N 0 3 289.379 2.156 20 30 CEEDHN C[C@H](NCCN1CCOC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000346148520 368562642 /nfs/dbraw/zinc/56/26/42/368562642.db2.gz WZALACCOWLMHNB-OLZOCXBDSA-N 0 3 291.370 2.069 20 30 CEEDHN CCOC(=O)C[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC000182637395 368573295 /nfs/dbraw/zinc/57/32/95/368573295.db2.gz AQOKMEWYATZOFD-LBPRGKRZSA-N 0 3 260.337 2.332 20 30 CEEDHN C[C@H](NC[C@]1(CCO)CCOC1)c1ccc(C#N)c(F)c1 ZINC000346180092 368580969 /nfs/dbraw/zinc/58/09/69/368580969.db2.gz LSSHEWWEYRAXTK-LRDDRELGSA-N 0 3 292.354 2.137 20 30 CEEDHN C[C@@H](NCCN1CCSCC1)c1ccc(C#N)cc1 ZINC000223666083 296125660 /nfs/dbraw/zinc/12/56/60/296125660.db2.gz ZFLDPQVDVXOPTK-CYBMUJFWSA-N 0 3 275.421 2.258 20 30 CEEDHN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)C(C)C#N ZINC000346446728 368678081 /nfs/dbraw/zinc/67/80/81/368678081.db2.gz QEMRFNZCBANZJO-YVLXSGLVSA-N 0 3 258.321 2.001 20 30 CEEDHN C=CCOCCCN1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000348035447 368867371 /nfs/dbraw/zinc/86/73/71/368867371.db2.gz OLLPCHCTXVJWIM-CQSZACIVSA-N 0 3 282.428 2.206 20 30 CEEDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000348165721 368930709 /nfs/dbraw/zinc/93/07/09/368930709.db2.gz YXWBXMFSBRBSFE-GXTWGEPZSA-N 0 3 291.782 2.216 20 30 CEEDHN C=CCc1cc(CN(C)[C@H]2CCC[C@@H]2O)cc(OC)c1O ZINC000348548648 369085150 /nfs/dbraw/zinc/08/51/50/369085150.db2.gz QWIRQPIWTDWTES-GJZGRUSLSA-N 0 3 291.391 2.475 20 30 CEEDHN C=CCCCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000448389293 261138939 /nfs/dbraw/zinc/13/89/39/261138939.db2.gz OLABFKXLACTKAX-UHFFFAOYSA-N 0 3 267.417 2.374 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@H](OCCOC)C2)c1 ZINC000188809032 369412512 /nfs/dbraw/zinc/41/25/12/369412512.db2.gz WRRUIUBVMDSRPT-KRWDZBQOSA-N 0 3 291.391 2.489 20 30 CEEDHN COc1cc(CN[C@H]2CC[C@@H](C#N)C2)cc(OC)c1OC ZINC000349831644 369415793 /nfs/dbraw/zinc/41/57/93/369415793.db2.gz UZGXQFKKGMSFKX-YPMHNXCESA-N 0 3 290.363 2.494 20 30 CEEDHN CC#CCCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000349956575 369463710 /nfs/dbraw/zinc/46/37/10/369463710.db2.gz WYFHQLGEMVQEEM-QGZVFWFLSA-N 0 3 299.418 2.221 20 30 CEEDHN C=CC[C@H](CO)NCc1cnn(Cc2ccc(F)cc2)c1 ZINC000189404378 369511194 /nfs/dbraw/zinc/51/11/94/369511194.db2.gz BRFWLTGBBGMYLF-MRXNPFEDSA-N 0 3 289.354 2.097 20 30 CEEDHN CCN(CCC#N)C(=O)CN1C[C@@H](C)CCC[C@H]1C ZINC000246583986 370981194 /nfs/dbraw/zinc/98/11/94/370981194.db2.gz FNUGISCJSHTXPS-UONOGXRCSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](COCC)C(C)C ZINC000276371775 193305045 /nfs/dbraw/zinc/30/50/45/193305045.db2.gz CCGMYEQRYWYNSO-CABCVRRESA-N 0 3 282.428 2.226 20 30 CEEDHN C[C@H](CCC#N)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000351614228 369643973 /nfs/dbraw/zinc/64/39/73/369643973.db2.gz FAXQYFKSEGJUIF-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCCCCNC(=O)NC1CCN(CCCOC)CC1 ZINC000351695413 369650039 /nfs/dbraw/zinc/65/00/39/369650039.db2.gz XKMXGGYWNJIWBH-UHFFFAOYSA-N 0 3 297.443 2.143 20 30 CEEDHN C=CCN(CCOC)CCOc1cccc(F)c1 ZINC000191127063 369681819 /nfs/dbraw/zinc/68/18/19/369681819.db2.gz KSYATSLKPUFRFH-UHFFFAOYSA-N 0 3 253.317 2.339 20 30 CEEDHN C=CCOCCCN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000352390116 369704646 /nfs/dbraw/zinc/70/46/46/369704646.db2.gz BJXREDHQSFGHHJ-ZDUSSCGKSA-N 0 3 269.776 2.376 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCCCN1CC ZINC000352392148 369706597 /nfs/dbraw/zinc/70/65/97/369706597.db2.gz RVOMLCXIPQWFGK-GOEBONIOSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCOc1ccc(CN2C[C@@H](C)[C@H](CO)C2)cc1OC ZINC000191725239 369737589 /nfs/dbraw/zinc/73/75/89/369737589.db2.gz YEMZZUSABIZHLL-HIFRSBDPSA-N 0 3 291.391 2.320 20 30 CEEDHN Cc1oc(NC(=O)CN[C@H]2CSC[C@H]2C)c(C#N)c1C ZINC000352819067 369894952 /nfs/dbraw/zinc/89/49/52/369894952.db2.gz WFSUXLLHDPERNB-PELKAZGASA-N 0 3 293.392 2.048 20 30 CEEDHN C=CC[C@@H](CO)NCc1cnc(-c2ccco2)s1 ZINC000193208939 369905910 /nfs/dbraw/zinc/90/59/10/369905910.db2.gz KDVMZUJRHFTIHB-JTQLQIEISA-N 0 3 264.350 2.430 20 30 CEEDHN C/C=C/C[C@H](CO)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353582529 370118152 /nfs/dbraw/zinc/11/81/52/370118152.db2.gz SDDMVZIKOBBHCS-PWFUPBTHSA-N 0 3 256.349 2.462 20 30 CEEDHN C=CCSCCNCc1cccc2c1OCO2 ZINC000222058136 370248627 /nfs/dbraw/zinc/24/86/27/370248627.db2.gz WLLOCWRYMLWYTK-UHFFFAOYSA-N 0 3 251.351 2.424 20 30 CEEDHN C=CCN(CC(F)(F)F)C(=O)[C@H](N)CCC(C)C ZINC000637947887 370190782 /nfs/dbraw/zinc/19/07/82/370190782.db2.gz CSBUSMDSLFTWOX-SNVBAGLBSA-N 0 3 266.307 2.327 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@]1(OC)CCOC1 ZINC000637960499 370200511 /nfs/dbraw/zinc/20/05/11/370200511.db2.gz PEQFZBSUIINZSF-KRWDZBQOSA-N 0 3 291.391 2.489 20 30 CEEDHN CCc1nnc(NCCN(CC)C2CC2)c(C#N)c1CC ZINC000229722445 370431404 /nfs/dbraw/zinc/43/14/04/370431404.db2.gz JHTLDLDNSRKIDX-UHFFFAOYSA-N 0 3 287.411 2.369 20 30 CEEDHN C=CCCOCCNCc1cc(OC)c(OC)cc1OC ZINC000229879490 370433775 /nfs/dbraw/zinc/43/37/75/370433775.db2.gz FGRWZUYXCKWICP-UHFFFAOYSA-N 0 3 295.379 2.395 20 30 CEEDHN C=CCCCCCNC(=O)[C@@]1(COC)CCCCN1 ZINC000638394843 370496062 /nfs/dbraw/zinc/49/60/62/370496062.db2.gz KTPKBLZEZORHCC-HNNXBMFYSA-N 0 3 268.401 2.008 20 30 CEEDHN COc1cc(CNC[C@]2(C)CCCO2)ccc1C#N ZINC000234924512 370549385 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371149846 /nfs/dbraw/zinc/14/98/46/371149846.db2.gz QJAZXWUTRFQEBA-MRVPVSSYSA-N 0 3 261.306 2.179 20 30 CEEDHN CC[C@H](NC(=O)C(C#N)CCc1ccccc1)C(C)(C)O ZINC000358647433 371153833 /nfs/dbraw/zinc/15/38/33/371153833.db2.gz HOAWTVQDSHFXIR-GJZGRUSLSA-N 0 3 288.391 2.425 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C)(COC)CC1 ZINC000358739121 371198533 /nfs/dbraw/zinc/19/85/33/371198533.db2.gz BFKZBHFMEMVAAM-HNNXBMFYSA-N 0 3 294.439 2.324 20 30 CEEDHN C#CCCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000248833216 371252971 /nfs/dbraw/zinc/25/29/71/371252971.db2.gz MLKGVVMXSVLERF-NVXWUHKLSA-N 0 3 270.376 2.352 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000639572117 371414242 /nfs/dbraw/zinc/41/42/42/371414242.db2.gz MVJDAWKNGOHLLO-NVXWUHKLSA-N 0 3 293.407 2.222 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C\c2cccc(C#N)c2)CC1 ZINC000255037101 371552230 /nfs/dbraw/zinc/55/22/30/371552230.db2.gz SURCZBGDCBDCPE-SREVYHEPSA-N 0 3 295.386 2.338 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H]2OC(F)F)o1 ZINC000337307084 213995594 /nfs/dbraw/zinc/99/55/94/213995594.db2.gz SDGKJRJGMJKUHI-MNOVXSKESA-N 0 3 256.252 2.401 20 30 CEEDHN CC#CCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000361332658 371789377 /nfs/dbraw/zinc/78/93/77/371789377.db2.gz URMJCXRGOJPZAP-KRWDZBQOSA-N 0 3 299.418 2.364 20 30 CEEDHN CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCC(C)(C)C1 ZINC000361466868 371861545 /nfs/dbraw/zinc/86/15/45/371861545.db2.gz FZOQVWVGQYNRHH-BBRMVZONSA-N 0 3 277.412 2.305 20 30 CEEDHN COCC1(C)CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000361587754 371953547 /nfs/dbraw/zinc/95/35/47/371953547.db2.gz PTQQRJXUKFEYEY-UHFFFAOYSA-N 0 3 261.369 2.145 20 30 CEEDHN CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000361756360 372057446 /nfs/dbraw/zinc/05/74/46/372057446.db2.gz UIWDJCXQUAJCIT-GJZGRUSLSA-N 0 3 287.363 2.044 20 30 CEEDHN CN(C(=O)C(C)(C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268505761 372121741 /nfs/dbraw/zinc/12/17/41/372121741.db2.gz CFKUMUOWKIOWGO-HNNXBMFYSA-N 0 3 285.391 2.269 20 30 CEEDHN CN(CC#Cc1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000361825820 372087347 /nfs/dbraw/zinc/08/73/47/372087347.db2.gz OROAKLFJCLQJQB-QGZVFWFLSA-N 0 3 254.377 2.207 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000683834967 541868614 /nfs/dbraw/zinc/86/86/14/541868614.db2.gz SIHORLPJEJZLIR-CABCVRRESA-N 0 3 277.412 2.221 20 30 CEEDHN C[C@H]1CCOCCN1CCC(=O)Nc1sccc1C#N ZINC000362041813 372182286 /nfs/dbraw/zinc/18/22/86/372182286.db2.gz AOLQCYVJBZZCBW-NSHDSACASA-N 0 3 293.392 2.059 20 30 CEEDHN C=C[C@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000362370298 372334287 /nfs/dbraw/zinc/33/42/87/372334287.db2.gz KJUIXBIKFYPSOO-GXTWGEPZSA-N 0 3 261.369 2.163 20 30 CEEDHN C[C@@H](NCCc1cnccn1)c1cccc(C#N)c1 ZINC000344329379 217153390 /nfs/dbraw/zinc/15/33/90/217153390.db2.gz MQLRSBPCVHKQHI-GFCCVEGCSA-N 0 3 252.321 2.242 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1C[C@H](C)[C@H](C)C1 ZINC000362429970 372359595 /nfs/dbraw/zinc/35/95/95/372359595.db2.gz KSHZNPSTNZSAFK-COMQUAJESA-N 0 3 265.401 2.017 20 30 CEEDHN C=CCc1cc(CN2CCCN(C)CC2)cc(OC)c1O ZINC000269359167 372428377 /nfs/dbraw/zinc/42/83/77/372428377.db2.gz OAJXZPDEBDRJOE-UHFFFAOYSA-N 0 3 290.407 2.267 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@H](OCC)C(=C)C)CC1 ZINC000270020339 372637203 /nfs/dbraw/zinc/63/72/03/372637203.db2.gz DLEMTLULHSZTPD-HNNXBMFYSA-N 0 3 280.412 2.124 20 30 CEEDHN CN(C)CCN(Cc1ccco1)c1cccc(C#N)n1 ZINC000270076369 372656057 /nfs/dbraw/zinc/65/60/57/372656057.db2.gz TXANQPYRGYDHSQ-UHFFFAOYSA-N 0 3 270.336 2.114 20 30 CEEDHN C=CCC[C@H](CO)NCc1c(C)cc(OC)nc1C ZINC000641760808 372697835 /nfs/dbraw/zinc/69/78/35/372697835.db2.gz WSNVNRPFUNPCGK-CYBMUJFWSA-N 0 3 264.369 2.124 20 30 CEEDHN CC#CC[C@H](CO)NCc1cc2ccccc2n1C ZINC000641766747 372705268 /nfs/dbraw/zinc/70/52/68/372705268.db2.gz BBKPOJCSJKBPNT-CQSZACIVSA-N 0 3 256.349 2.042 20 30 CEEDHN CC#CC[C@@H](CO)NCc1c[nH]nc1-c1ccc(C)cc1 ZINC000641769248 372709499 /nfs/dbraw/zinc/70/94/99/372709499.db2.gz RAVDEOFQYILSNC-INIZCTEOSA-N 0 3 283.375 2.249 20 30 CEEDHN C[C@]1(CO)CCC[C@@H]1NCc1ccc(C#N)s1 ZINC000344573866 217235971 /nfs/dbraw/zinc/23/59/71/217235971.db2.gz DCPGBYWWQJQXDK-QWHCGFSZSA-N 0 3 250.367 2.260 20 30 CEEDHN C[C@]1(CO)CCC[C@H]1NCc1ccc(C#N)s1 ZINC000344573863 217235995 /nfs/dbraw/zinc/23/59/95/217235995.db2.gz DCPGBYWWQJQXDK-CHWSQXEVSA-N 0 3 250.367 2.260 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](NCCn1ccnc1)CC2 ZINC000353430905 220078738 /nfs/dbraw/zinc/07/87/38/220078738.db2.gz XBEZKKWATTXZEL-HNNXBMFYSA-N 0 3 252.321 2.032 20 30 CEEDHN COc1cc(CN2CC[C@H](c3nc(C)no3)C2)ccc1C#N ZINC000344835504 217327100 /nfs/dbraw/zinc/32/71/00/217327100.db2.gz SZWWBFBHVGGXIG-AWEZNQCLSA-N 0 3 298.346 2.248 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000643391553 373106835 /nfs/dbraw/zinc/10/68/35/373106835.db2.gz ASANBJGYMSNNSD-ZWKOTPCHSA-N 0 3 289.419 2.241 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1[C@H]1CCCO1 ZINC000366950455 373131596 /nfs/dbraw/zinc/13/15/96/373131596.db2.gz FBSFTDPRBOQFIG-LSDHHAIUSA-N 0 3 280.412 2.054 20 30 CEEDHN COCCCN(C)CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271992622 373252348 /nfs/dbraw/zinc/25/23/48/373252348.db2.gz ZVIMACQVHUJPOR-ZDUSSCGKSA-N 0 3 293.386 2.316 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)[C@@H]1NCC1(C)C ZINC000643989407 373327485 /nfs/dbraw/zinc/32/74/85/373327485.db2.gz WEUCXHDYRMJLIX-AWEZNQCLSA-N 0 3 276.355 2.338 20 30 CEEDHN C=C(Cl)CN1CCC(N2CCN(CCC)CC2)CC1 ZINC000369150200 373346012 /nfs/dbraw/zinc/34/60/12/373346012.db2.gz VVPATGAAXIOVGO-UHFFFAOYSA-N 0 3 285.863 2.231 20 30 CEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Cc1ccc(C#N)cc1 ZINC000272193671 373351929 /nfs/dbraw/zinc/35/19/29/373351929.db2.gz OAVYADQGCQIKQQ-CQSZACIVSA-N 0 3 299.418 2.289 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H]1NCC1(C)C ZINC000644045518 373356791 /nfs/dbraw/zinc/35/67/91/373356791.db2.gz CQCKLBHQOMUMJU-LBPRGKRZSA-N 0 3 264.394 2.261 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000344982712 217377360 /nfs/dbraw/zinc/37/73/60/217377360.db2.gz RJPBDKXIBMZXPP-OCCSQVGLSA-N 0 3 286.379 2.471 20 30 CEEDHN C[C@H](CC(=O)N(C)C)NC1(c2cccc(C#N)c2)CC1 ZINC000272319913 373429548 /nfs/dbraw/zinc/42/95/48/373429548.db2.gz VUCXERDTEPXSCY-GFCCVEGCSA-N 0 3 271.364 2.004 20 30 CEEDHN COCC[C@H](COC)N[C@H](C)c1ccc(C#N)cc1F ZINC000353625816 220201716 /nfs/dbraw/zinc/20/17/16/220201716.db2.gz HBEJRHGNPXPTJO-DGCLKSJQSA-N 0 3 280.343 2.399 20 30 CEEDHN C=CCOCCN[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000272498381 373518462 /nfs/dbraw/zinc/51/84/62/373518462.db2.gz DKJFWFHAHBGDRA-ZDUSSCGKSA-N 0 3 290.363 2.496 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(c2ccc(C)cc2)CC1 ZINC000273434762 373756876 /nfs/dbraw/zinc/75/68/76/373756876.db2.gz BDMSFFTWMAFGIW-KRWDZBQOSA-N 0 3 274.408 2.444 20 30 CEEDHN C#CCN(CCC(=O)OCc1ccccc1)C1CC1 ZINC000274214426 373843411 /nfs/dbraw/zinc/84/34/11/373843411.db2.gz UFRJBLGRZDGINO-UHFFFAOYSA-N 0 3 257.333 2.218 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CCC3(CCCC3)C2)c1 ZINC000371784938 373976890 /nfs/dbraw/zinc/97/68/90/373976890.db2.gz GPTAREVUHRZHTE-UHFFFAOYSA-N 0 3 297.402 2.441 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000645490346 374081383 /nfs/dbraw/zinc/08/13/83/374081383.db2.gz HLEPWNGEPWEEES-ZIAGYGMSSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCS(=O)(=O)CCNC[C@H](C)Cc1ccccc1 ZINC000274803277 374054326 /nfs/dbraw/zinc/05/43/26/374054326.db2.gz BEBBCNCUYORBMQ-CQSZACIVSA-N 0 3 281.421 2.056 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC000274933372 374100665 /nfs/dbraw/zinc/10/06/65/374100665.db2.gz YHYAVLJYFOUFTP-STQMWFEESA-N 0 3 277.339 2.355 20 30 CEEDHN NC(=O)CCC1CCN(CC#Cc2ccccc2)CC1 ZINC000276887237 374335716 /nfs/dbraw/zinc/33/57/16/374335716.db2.gz BMQVMKJWNKVEQR-UHFFFAOYSA-N 0 3 270.376 2.016 20 30 CEEDHN C#CCC(CC#C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000277487369 374539639 /nfs/dbraw/zinc/53/96/39/374539639.db2.gz QXWADPBFVLBIFS-UHFFFAOYSA-N 0 3 298.386 2.228 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H]1CCOC[C@H]1C ZINC000277514969 374549255 /nfs/dbraw/zinc/54/92/55/374549255.db2.gz QIWPIPBYQFIMOP-BXUZGUMPSA-N 0 3 260.337 2.081 20 30 CEEDHN CC#CC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000277742983 374629947 /nfs/dbraw/zinc/62/99/47/374629947.db2.gz RBHDNQIRSGGCKI-INIZCTEOSA-N 0 3 270.376 2.271 20 30 CEEDHN CC#CC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000277742986 374630014 /nfs/dbraw/zinc/63/00/14/374630014.db2.gz RBHDNQIRSGGCKI-MRXNPFEDSA-N 0 3 270.376 2.271 20 30 CEEDHN C=CCCCN1CCC(c2nc(N(C)C)no2)CC1 ZINC000374873936 374633301 /nfs/dbraw/zinc/63/33/01/374633301.db2.gz JBNAQVZPSVTQMR-UHFFFAOYSA-N 0 3 264.373 2.281 20 30 CEEDHN C=CCCCNC(=O)NC1CCN(CC(=C)C)CC1 ZINC000279443333 374878658 /nfs/dbraw/zinc/87/86/58/374878658.db2.gz DCIDCQUKUGLHPW-UHFFFAOYSA-N 0 3 265.401 2.292 20 30 CEEDHN N#Cc1ccccc1N1CCC(CNCc2ncc[nH]2)CC1 ZINC000377890041 374976149 /nfs/dbraw/zinc/97/61/49/374976149.db2.gz ZPTSADJMKUAORS-UHFFFAOYSA-N 0 3 295.390 2.288 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1CCCCCC1 ZINC000385476968 375234658 /nfs/dbraw/zinc/23/46/58/375234658.db2.gz BFQLEDDHABDCGG-UHFFFAOYSA-N 0 3 250.386 2.028 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NCCN1CCCC[C@@H]1C ZINC000280478279 375214682 /nfs/dbraw/zinc/21/46/82/375214682.db2.gz ADPWCGHQXAYMGE-NSHDSACASA-N 0 3 275.352 2.064 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000280488311 375218817 /nfs/dbraw/zinc/21/88/17/375218817.db2.gz BHSWWLAEPUQELP-VXGBXAGGSA-N 0 3 289.379 2.310 20 30 CEEDHN CC1(C)CN(CCCOc2cccc(C#N)c2)C[C@H]1O ZINC000388139271 375283274 /nfs/dbraw/zinc/28/32/74/375283274.db2.gz CYWSXRSTMXAQPU-OAHLLOKOSA-N 0 3 274.364 2.030 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000280648904 375272317 /nfs/dbraw/zinc/27/23/17/375272317.db2.gz NZQFORZNYDZFEP-MEDUHNTESA-N 0 3 291.347 2.192 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000280812622 375330494 /nfs/dbraw/zinc/33/04/94/375330494.db2.gz TZHXFEGNERSINA-NWDGAFQWSA-N 0 3 289.379 2.310 20 30 CEEDHN CN(C)C1(CNc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000397955959 375345310 /nfs/dbraw/zinc/34/53/10/375345310.db2.gz BUDRAKHCASYSCB-UHFFFAOYSA-N 0 3 284.285 2.478 20 30 CEEDHN C=CC[C@H](CC)N[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000281377177 375374989 /nfs/dbraw/zinc/37/49/89/375374989.db2.gz YPXKDDFSEMIOGJ-KBPBESRZSA-N 0 3 264.344 2.166 20 30 CEEDHN COCCCOCCN(C)Cc1ccc(C#N)c(OC)c1 ZINC000282331028 375457606 /nfs/dbraw/zinc/45/76/06/375457606.db2.gz ODGCOJCIQPJGAZ-UHFFFAOYSA-N 0 3 292.379 2.052 20 30 CEEDHN CCNC(=O)C[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000283935671 375784959 /nfs/dbraw/zinc/78/49/59/375784959.db2.gz ABVMKUPQZDNQFF-INIZCTEOSA-N 0 3 285.391 2.439 20 30 CEEDHN CCNC(=O)C[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000283935675 375785027 /nfs/dbraw/zinc/78/50/27/375785027.db2.gz ABVMKUPQZDNQFF-MRXNPFEDSA-N 0 3 285.391 2.439 20 30 CEEDHN CCC#C[C@@H](C)N1CCN(c2ccncc2OC)CC1 ZINC000684629130 542049063 /nfs/dbraw/zinc/04/90/63/542049063.db2.gz ZINCJWFXGNIICR-CQSZACIVSA-N 0 3 273.380 2.014 20 30 CEEDHN CCN1CCN(Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000286621853 376015764 /nfs/dbraw/zinc/01/57/64/376015764.db2.gz SCXCNIYDVREIQS-LBPRGKRZSA-N 0 3 261.344 2.223 20 30 CEEDHN CC[C@H](CC#N)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415894614 376028836 /nfs/dbraw/zinc/02/88/36/376028836.db2.gz MPQKQYRQKRCXCJ-CYBMUJFWSA-N 0 3 272.352 2.146 20 30 CEEDHN C=CCNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415974754 376030550 /nfs/dbraw/zinc/03/05/50/376030550.db2.gz SCUYEGZEERPAFK-UHFFFAOYSA-N 0 3 273.258 2.472 20 30 CEEDHN C=CCN1CC[C@@H](N(C)CCCc2cnccc2C)C1=O ZINC000289531640 376397875 /nfs/dbraw/zinc/39/78/75/376397875.db2.gz FGGLAASUULWMSG-MRXNPFEDSA-N 0 3 287.407 2.041 20 30 CEEDHN C=CCN1CC[C@H](N(C)CCCc2cnccc2C)C1=O ZINC000289531637 376398064 /nfs/dbraw/zinc/39/80/64/376398064.db2.gz FGGLAASUULWMSG-INIZCTEOSA-N 0 3 287.407 2.041 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N(C)C[C@@H](C)c1ccccc1 ZINC000263888623 190083868 /nfs/dbraw/zinc/08/38/68/190083868.db2.gz RAAYMAFBLHSYSW-ZIAGYGMSSA-N 0 3 260.381 2.413 20 30 CEEDHN CC[C@H](CN1CCC(C#N)(c2ccccn2)CC1)OC ZINC000557259505 376546796 /nfs/dbraw/zinc/54/67/96/376546796.db2.gz ILMUGVGEENLKPA-CQSZACIVSA-N 0 3 273.380 2.364 20 30 CEEDHN COc1cc(CN(C)[C@H](CO)CC(C)C)ccc1C#N ZINC000290293266 376720668 /nfs/dbraw/zinc/72/06/68/376720668.db2.gz AOPWSCBFYAUVSH-HNNXBMFYSA-N 0 3 276.380 2.406 20 30 CEEDHN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1CCOCCC#N ZINC000420922805 376738502 /nfs/dbraw/zinc/73/85/02/376738502.db2.gz GGSOVVDQBNRLAN-KBPBESRZSA-N 0 3 296.411 2.359 20 30 CEEDHN C=CCOc1ccc(CN(C)C[C@H](O)C2CC2)cc1 ZINC000685461896 542143155 /nfs/dbraw/zinc/14/31/55/542143155.db2.gz XSZKIVUQQZEHOV-INIZCTEOSA-N 0 3 261.365 2.454 20 30 CEEDHN N#Cc1nccc(N2CCCN(Cc3ccccc3)CC2)n1 ZINC000324040347 376839963 /nfs/dbraw/zinc/83/99/63/376839963.db2.gz RZLKIZNHIMNPMZ-UHFFFAOYSA-N 0 3 293.374 2.061 20 30 CEEDHN C#CCN(C)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000328257324 376848010 /nfs/dbraw/zinc/84/80/10/376848010.db2.gz KLBHWZCCWWQOIE-UHFFFAOYSA-N 0 3 288.435 2.274 20 30 CEEDHN CC(=O)Nc1ccn([C@@H]2CCN(C[C@H]3CCCCO3)C2)n1 ZINC000328638855 376870275 /nfs/dbraw/zinc/87/02/75/376870275.db2.gz WPORQBPNXJMXLZ-ZIAGYGMSSA-N 0 3 292.383 2.307 20 30 CEEDHN CC1(C)CC(N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000562425539 376891108 /nfs/dbraw/zinc/89/11/08/376891108.db2.gz IZWKBNPJZVWIFW-INIZCTEOSA-N 0 3 297.402 2.437 20 30 CEEDHN O=C(N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CCCN1C1CCCC1 ZINC000328889531 376916316 /nfs/dbraw/zinc/91/63/16/376916316.db2.gz QXNBCILQVDETCQ-GUTXKFCHSA-N 0 3 278.396 2.287 20 30 CEEDHN C[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)c1nncn1C ZINC000328955081 376926987 /nfs/dbraw/zinc/92/69/87/376926987.db2.gz IRMISLLNWBNCJN-WCQYABFASA-N 0 3 291.399 2.240 20 30 CEEDHN Cc1ncsc1CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329319626 376943712 /nfs/dbraw/zinc/94/37/12/376943712.db2.gz TVOOBMJOZWFDSX-JTQLQIEISA-N 0 3 294.424 2.106 20 30 CEEDHN C[C@@H]1CCSCCN1C([O-])=[NH+][C@H]1CCc2nc[nH]c2C1 ZINC000329539305 376967030 /nfs/dbraw/zinc/96/70/30/376967030.db2.gz CKCBAJXYKUPZQP-MNOVXSKESA-N 0 3 294.424 2.008 20 30 CEEDHN C[C@@H]1CCSCCN1C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1 ZINC000329539305 376967039 /nfs/dbraw/zinc/96/70/39/376967039.db2.gz CKCBAJXYKUPZQP-MNOVXSKESA-N 0 3 294.424 2.008 20 30 CEEDHN N#Cc1ccc(NCCN2CC=CCC2)cc1[N+](=O)[O-] ZINC000290941571 376995154 /nfs/dbraw/zinc/99/51/54/376995154.db2.gz LMDCFWJIYDPUEQ-UHFFFAOYSA-N 0 3 272.308 2.140 20 30 CEEDHN COCCN1CCC[C@H]1CNC(=O)c1c(C)coc1C ZINC000330469290 377149546 /nfs/dbraw/zinc/14/95/46/377149546.db2.gz LEGGAWZCOMRVJI-ZDUSSCGKSA-N 0 3 280.368 2.312 20 30 CEEDHN C=CC[C@@H](C)NCc1cnnn1Cc1ccccc1 ZINC000291886756 377214652 /nfs/dbraw/zinc/21/46/52/377214652.db2.gz HKWCUKAKOQTADR-CYBMUJFWSA-N 0 3 256.353 2.381 20 30 CEEDHN Cn1cc(CN2CCCC[C@@H]2CC(N)=O)cc1C#N ZINC000331171509 377313048 /nfs/dbraw/zinc/31/30/48/377313048.db2.gz OBRJMEQJFGJRHR-GFCCVEGCSA-N 0 3 260.341 2.177 20 30 CEEDHN C#CCN(C)CCCNc1ncc(Cl)cc1F ZINC000292888737 377334588 /nfs/dbraw/zinc/33/45/88/377334588.db2.gz VNHCRGRJESLZHG-UHFFFAOYSA-N 0 3 255.724 2.241 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(C#N)cc1F ZINC000424179228 377273432 /nfs/dbraw/zinc/27/34/32/377273432.db2.gz XZGMFXNPDYEEHB-ZFWWWQNUSA-N 0 3 260.312 2.378 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC000424655084 377280903 /nfs/dbraw/zinc/28/09/03/377280903.db2.gz VUHKTOUMUVETQP-HOTGVXAUSA-N 0 3 294.439 2.204 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](C)CN(C)C ZINC000425765959 377381367 /nfs/dbraw/zinc/38/13/67/377381367.db2.gz CEFALTNCIDEAFQ-QWHCGFSZSA-N 0 3 288.395 2.211 20 30 CEEDHN C#CCOc1ccc(CN[C@H](C)Cn2cccn2)cc1 ZINC000264999436 190150607 /nfs/dbraw/zinc/15/06/07/190150607.db2.gz ZKIJJCZRTKCLBY-CQSZACIVSA-N 0 3 269.348 2.073 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H](O)[C@@H](C)C2)cc1 ZINC000428466220 377493212 /nfs/dbraw/zinc/49/32/12/377493212.db2.gz WKYCMMGVAJISNH-XJKSGUPXSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1ccc(C(=O)OC)s1 ZINC000429719365 377519279 /nfs/dbraw/zinc/51/92/79/377519279.db2.gz KPFUFOTYNAORRQ-UHFFFAOYSA-N 0 3 296.436 2.474 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1ccc(OC)nc1 ZINC000429719237 377519623 /nfs/dbraw/zinc/51/96/23/377519623.db2.gz OLFCEKYSTNWTIV-UHFFFAOYSA-N 0 3 263.385 2.030 20 30 CEEDHN C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)[C@@H]1C ZINC000293409173 377555862 /nfs/dbraw/zinc/55/58/62/377555862.db2.gz MGQYATUFZRHVRF-VXGBXAGGSA-N 0 3 257.337 2.227 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCC#Cc1ccccc1 ZINC000265217086 190166926 /nfs/dbraw/zinc/16/69/26/190166926.db2.gz KAXIDRYQRQYVKU-QGZVFWFLSA-N 0 3 299.418 2.021 20 30 CEEDHN C=CCNC(=O)CN1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000285464638 542215807 /nfs/dbraw/zinc/21/58/07/542215807.db2.gz AVVTUMOEVUUHJV-UKRRQHHQSA-N 0 3 258.365 2.372 20 30 CEEDHN CCn1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1=O ZINC000433099214 377779874 /nfs/dbraw/zinc/77/98/74/377779874.db2.gz HRJNUZNYOAAXDC-OCCSQVGLSA-N 0 3 259.353 2.040 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccn(C(F)F)n1 ZINC000435742041 377811302 /nfs/dbraw/zinc/81/13/02/377811302.db2.gz LNRHQPKSLHYDNF-CMPLNLGQSA-N 0 3 271.311 2.349 20 30 CEEDHN CC(C)[C@@H](C(=O)NCC1(CC#N)CC1)N1CCCCC1 ZINC000435956699 377814690 /nfs/dbraw/zinc/81/46/90/377814690.db2.gz JFSOBTFXLIZABJ-AWEZNQCLSA-N 0 3 277.412 2.307 20 30 CEEDHN COC[C@@H](NCc1ccc(CC#N)cc1)[C@@H]1CCCO1 ZINC000434789644 377800571 /nfs/dbraw/zinc/80/05/71/377800571.db2.gz YZPPFAVIKQJIJT-CVEARBPZSA-N 0 3 274.364 2.036 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@@H](C)c1ccccc1 ZINC000294028345 377875896 /nfs/dbraw/zinc/87/58/96/377875896.db2.gz RHFKGEXLMSSUSQ-OAHLLOKOSA-N 0 3 272.392 2.252 20 30 CEEDHN CC(C#N)C(=O)N(CCc1ccccn1)Cc1ccncc1 ZINC000438099357 377883840 /nfs/dbraw/zinc/88/38/40/377883840.db2.gz WGBVEKUTDWKOSE-AWEZNQCLSA-N 0 3 294.358 2.208 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1c(F)cccc1Cl ZINC000293951293 377843330 /nfs/dbraw/zinc/84/33/30/377843330.db2.gz KAZIEPCJOIRMNL-UHFFFAOYSA-N 0 3 296.773 2.093 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000437367766 377843598 /nfs/dbraw/zinc/84/35/98/377843598.db2.gz XRMZRGSBHSAJJH-CDOJRTKCSA-N 0 3 268.238 2.236 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](CC)N(CC)CC ZINC000437520013 377846900 /nfs/dbraw/zinc/84/69/00/377846900.db2.gz BABHNOPPKHHQJI-KKUMJFAQSA-N 0 3 282.428 2.204 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000437513672 377848108 /nfs/dbraw/zinc/84/81/08/377848108.db2.gz HPSWZLIYXLYPCL-LJIZCISZSA-N 0 3 294.439 2.345 20 30 CEEDHN C[C@@H](N(C)CC(=O)NCc1cccc(C#N)c1)C1(C)CC1 ZINC000437542231 377849539 /nfs/dbraw/zinc/84/95/39/377849539.db2.gz YKSOZDRTYUAWNT-CYBMUJFWSA-N 0 3 285.391 2.295 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)NCCN1CCCC[C@@H]1C ZINC000437603475 377854367 /nfs/dbraw/zinc/85/43/67/377854367.db2.gz OGJRFUGGXWBMQD-HOCLYGCPSA-N 0 3 282.428 2.206 20 30 CEEDHN CN1CCC[C@]2(CCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 ZINC000294177703 377928433 /nfs/dbraw/zinc/92/84/33/377928433.db2.gz OVBSMQFMCMMXRN-SFHVURJKSA-N 0 3 297.402 2.045 20 30 CEEDHN CC[C@H](CNC(=O)C(C)C#N)Oc1cccc(F)c1 ZINC000439895537 377928797 /nfs/dbraw/zinc/92/87/97/377928797.db2.gz ASGYJXOESILPLN-ZYHUDNBSSA-N 0 3 264.300 2.259 20 30 CEEDHN CC(=O)Nc1cccc(OCCN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442857404 378008470 /nfs/dbraw/zinc/00/84/70/378008470.db2.gz PNARUZOCTVHCND-KBPBESRZSA-N 0 3 287.363 2.306 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NC[C@H]2COc3ccccc3O2)C1 ZINC000442643136 377973947 /nfs/dbraw/zinc/97/39/47/377973947.db2.gz FTPISTOALVXICV-UPJWGTAASA-N 0 3 258.321 2.108 20 30 CEEDHN C#CCN(C)CCCN[C@@H](C)c1csc(C)n1 ZINC000294544573 377996225 /nfs/dbraw/zinc/99/62/25/377996225.db2.gz ATWQXGSXOLXPNA-NSHDSACASA-N 0 3 251.399 2.057 20 30 CEEDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000442818808 378003504 /nfs/dbraw/zinc/00/35/04/378003504.db2.gz IZWZLIMDGZQZOU-VNHYZAJKSA-N 0 3 296.374 2.067 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCCOc2ccc(Cl)cn2)C1 ZINC000442814154 378003657 /nfs/dbraw/zinc/00/36/57/378003657.db2.gz CLZSXTYVQJYJCK-ZYHUDNBSSA-N 0 3 265.744 2.396 20 30 CEEDHN C=C(C)COc1cc(CN[C@H]2C[C@@H](O)C2)ccc1OC ZINC000294936774 378029934 /nfs/dbraw/zinc/02/99/34/378029934.db2.gz UZBKECXPLVCPBR-OKILXGFUSA-N 0 3 277.364 2.263 20 30 CEEDHN C=CCN1CCC(NCc2ncc(C)s2)CC1 ZINC000295175461 378046588 /nfs/dbraw/zinc/04/65/88/378046588.db2.gz LZTNYPLRNNZALB-UHFFFAOYSA-N 0 3 251.399 2.192 20 30 CEEDHN C=CCCCN[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000447798216 378138021 /nfs/dbraw/zinc/13/80/21/378138021.db2.gz TXTUWWVUROAVHS-ZDUSSCGKSA-N 0 3 279.384 2.458 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000295288990 378086513 /nfs/dbraw/zinc/08/65/13/378086513.db2.gz DOKDXGURXXXFSY-STQMWFEESA-N 0 3 270.376 2.353 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccnn1C1CCCC1 ZINC000449699422 378222651 /nfs/dbraw/zinc/22/26/51/378222651.db2.gz QNLSBYVBKZEKML-CYBMUJFWSA-N 0 3 263.385 2.415 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cnn(-c2ccc(F)cc2)c1 ZINC000449520467 378215494 /nfs/dbraw/zinc/21/54/94/378215494.db2.gz PPRKKTPDAGGHOH-CVEARBPZSA-N 0 3 287.338 2.445 20 30 CEEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)C(=O)NCCc1ccccc1 ZINC000449580179 378216111 /nfs/dbraw/zinc/21/61/11/378216111.db2.gz NTKHPQZOQKBLSN-NUEKZKHPSA-N 0 3 285.391 2.016 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc([S@](C)=O)cc1 ZINC000449548966 378216472 /nfs/dbraw/zinc/21/64/72/378216472.db2.gz SOMIVFSROUHPHA-VCBZYWHSSA-N 0 3 279.405 2.247 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000449548869 378216566 /nfs/dbraw/zinc/21/65/66/378216566.db2.gz RLTIACYJUSEHQK-KGLIPLIRSA-N 0 3 262.309 2.418 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1nc2ccccc2n1C ZINC000449548481 378216720 /nfs/dbraw/zinc/21/67/20/378216720.db2.gz NTRMRVKDAQWPRL-HIFRSBDPSA-N 0 3 271.364 2.397 20 30 CEEDHN C[C@H]1C[C@@]1(C#N)C(=O)Nc1cccc(CN(C)C)c1 ZINC000448686904 378179390 /nfs/dbraw/zinc/17/93/90/378179390.db2.gz NOPAQPVCPWKBCU-NHYWBVRUSA-N 0 3 257.337 2.236 20 30 CEEDHN C=CCc1cc(CN2C[C@@H](C)C[C@H](O)C2)cc(OC)c1O ZINC000449764908 378228742 /nfs/dbraw/zinc/22/87/42/378228742.db2.gz FGYOTFJDSILLQJ-WFASDCNBSA-N 0 3 291.391 2.332 20 30 CEEDHN CC[C@@](C)(CO)NC(=O)C(C#N)CCc1ccccc1 ZINC000450406691 378399943 /nfs/dbraw/zinc/39/99/43/378399943.db2.gz RYJZUNLIRVWUQN-ZBFHGGJFSA-N 0 3 274.364 2.036 20 30 CEEDHN C=CCNC(=O)CNc1ccnc2ccc(OC(C)C)cc21 ZINC000450423632 378409127 /nfs/dbraw/zinc/40/91/27/378409127.db2.gz JDMASLMCKRVWMU-UHFFFAOYSA-N 0 3 299.374 2.158 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)CCCN1C ZINC000450793210 378582728 /nfs/dbraw/zinc/58/27/28/378582728.db2.gz KZSGCEGAHGFJHC-XJKCOSOUSA-N 0 3 275.396 2.059 20 30 CEEDHN CC(C)N(CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000298492401 378743744 /nfs/dbraw/zinc/74/37/44/378743744.db2.gz XZBIJTWZKGTJNY-UHFFFAOYSA-N 0 3 271.364 2.047 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC1CC1 ZINC000298513626 378753044 /nfs/dbraw/zinc/75/30/44/378753044.db2.gz SZXWQIIYGSDNSC-UHFFFAOYSA-N 0 3 285.391 2.249 20 30 CEEDHN Cc1nnc(NCCN2CCCC[C@@H]2C)c(C#N)c1C ZINC000298727206 378815550 /nfs/dbraw/zinc/81/55/50/378815550.db2.gz QSYBWEQYTNZDCW-NSHDSACASA-N 0 3 273.384 2.251 20 30 CEEDHN C=CCC[C@@H](NCCCNC(C)=O)c1ccco1 ZINC000278839266 194178188 /nfs/dbraw/zinc/17/81/88/194178188.db2.gz DDQZMASBIQPEGV-CYBMUJFWSA-N 0 3 250.342 2.403 20 30 CEEDHN C[C@@H]1CC[C@H](C)CN1CC(=O)NCc1ccc(C#N)cc1 ZINC000266527994 190264303 /nfs/dbraw/zinc/26/43/03/190264303.db2.gz FESOESUMEBWVHB-UONOGXRCSA-N 0 3 285.391 2.295 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1N(C)CCN(C)C1CC1 ZINC000302272092 379348376 /nfs/dbraw/zinc/34/83/76/379348376.db2.gz SCQCTZHCKJUNSX-UHFFFAOYSA-N 0 3 271.364 2.291 20 30 CEEDHN N#Cc1ccc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)o1 ZINC000289999679 183676508 /nfs/dbraw/zinc/67/65/08/183676508.db2.gz YAVAABHYRNWODO-DLBZAZTESA-N 0 3 282.343 2.407 20 30 CEEDHN C[C@H]1C[C@H](C)N(CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528385929 379954601 /nfs/dbraw/zinc/95/46/01/379954601.db2.gz FVLLZMFXXULFGJ-KBPBESRZSA-N 0 3 296.370 2.016 20 30 CEEDHN CC1(C)CCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528394753 379955988 /nfs/dbraw/zinc/95/59/88/379955988.db2.gz MBQNFGGUALLFQA-UHFFFAOYSA-N 0 3 296.370 2.018 20 30 CEEDHN C=CCOc1ccc(CN2C[C@H](O)C[C@H]2C)cc1OC ZINC000471810826 380072347 /nfs/dbraw/zinc/07/23/47/380072347.db2.gz PLCDDBQMKBHWNI-TZMCWYRMSA-N 0 3 277.364 2.215 20 30 CEEDHN Cc1ccc([C@H](C)NC(=O)C(C)C#N)cc1[N+](=O)[O-] ZINC000487974468 380090646 /nfs/dbraw/zinc/09/06/46/380090646.db2.gz ANBGYHUMVHZMNO-UWVGGRQHSA-N 0 3 261.281 2.240 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000486363672 380081385 /nfs/dbraw/zinc/08/13/85/380081385.db2.gz ZFWOJLLAKVMYGL-ZJIFWQFVSA-N 0 3 294.439 2.347 20 30 CEEDHN OC[C@@H]1CCC2(CCOCC2)CN1CC#Cc1ccccc1 ZINC000528646985 380039950 /nfs/dbraw/zinc/03/99/50/380039950.db2.gz ZFOAWHJYFKOJHN-SFHVURJKSA-N 0 3 299.414 2.292 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C/c1cccc(C#N)c1 ZINC000268137279 190379816 /nfs/dbraw/zinc/37/98/16/190379816.db2.gz CPTCZOODXPJUEU-KDQQEYKFSA-N 0 3 295.386 2.170 20 30 CEEDHN N#CC[C@]1(O)CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000529611680 380180099 /nfs/dbraw/zinc/18/00/99/380180099.db2.gz QEJBRAKGKYPRJL-HNNXBMFYSA-N 0 3 255.321 2.018 20 30 CEEDHN CC(C)(C#N)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000529721557 380184995 /nfs/dbraw/zinc/18/49/95/380184995.db2.gz YYWKWLXYMJGFRZ-CYBMUJFWSA-N 0 3 263.385 2.059 20 30 CEEDHN CCCCN(C)CCNC(=O)N1CCC(CC#N)CC1 ZINC000540996093 380265650 /nfs/dbraw/zinc/26/56/50/380265650.db2.gz XZODARCUXVIILC-UHFFFAOYSA-N 0 3 280.416 2.054 20 30 CEEDHN C=CCC[C@@H](O)CN(C)Cc1ccc2c(c1)OCCO2 ZINC000532378134 380214860 /nfs/dbraw/zinc/21/48/60/380214860.db2.gz HKZAIIZJAHPGIA-CQSZACIVSA-N 0 3 277.364 2.217 20 30 CEEDHN C=CCC[C@@H](O)CN[C@H](C)c1cnn(C(C)C)c1 ZINC000543505306 380327345 /nfs/dbraw/zinc/32/73/45/380327345.db2.gz PJMJNABNZUGUJV-TZMCWYRMSA-N 0 3 251.374 2.442 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000491347925 380307965 /nfs/dbraw/zinc/30/79/65/380307965.db2.gz AVHRFTYBPSZCHW-OFQRWUPVSA-N 0 3 287.407 2.341 20 30 CEEDHN C#C[C@@H](C)N(C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000491376042 380312365 /nfs/dbraw/zinc/31/23/65/380312365.db2.gz YJHGNXXYLMJPFM-LLVKDONJSA-N 0 3 254.374 2.243 20 30 CEEDHN C#C[C@H](CC)NCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000491737717 380347870 /nfs/dbraw/zinc/34/78/70/380347870.db2.gz FOIROEOCAOFEEP-CYBMUJFWSA-N 0 3 283.331 2.307 20 30 CEEDHN C=CCOc1ccc(CN2C[C@@H](O)C(C)(C)C2)cc1OC ZINC000279090596 194279644 /nfs/dbraw/zinc/27/96/44/194279644.db2.gz AHIVZVARAXXBGS-MRXNPFEDSA-N 0 3 291.391 2.463 20 30 CEEDHN C[C@H]1CCN(CCNC(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000491961882 380400033 /nfs/dbraw/zinc/40/00/33/380400033.db2.gz ZOCPZAYORMYVPE-AFNCTOJWSA-N 0 3 283.375 2.029 20 30 CEEDHN CN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CCN(C2CC2)C1 ZINC000334538133 380554325 /nfs/dbraw/zinc/55/43/25/380554325.db2.gz CKPRIAKRZGKOFP-AWEZNQCLSA-N 0 3 287.338 2.006 20 30 CEEDHN C[C@H]1C[C@H](C)N1CCC(=O)Nc1ccccc1C#N ZINC000548752539 380555890 /nfs/dbraw/zinc/55/58/90/380555890.db2.gz CHXMQQOMEWAHRR-RYUDHWBXSA-N 0 3 257.337 2.370 20 30 CEEDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccccc3C#N)[C@@H]2C1 ZINC000554730180 380791855 /nfs/dbraw/zinc/79/18/55/380791855.db2.gz NNNLKKBDGFMYBN-KSZLIROESA-N 0 3 297.402 2.295 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000493981398 381151647 /nfs/dbraw/zinc/15/16/47/381151647.db2.gz KVGRRLMCKORVJC-QWHCGFSZSA-N 0 3 266.385 2.245 20 30 CEEDHN C=CCC[C@H](O)CN(C)CCN(C)C(=O)OC(C)(C)C ZINC000494147616 381153085 /nfs/dbraw/zinc/15/30/85/381153085.db2.gz ATOONCTWWXHIHT-ZDUSSCGKSA-N 0 3 286.416 2.112 20 30 CEEDHN C[C@H](N[C@@]1(C)CCO[C@@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000494265573 381157492 /nfs/dbraw/zinc/15/74/92/381157492.db2.gz QHJXYALYNMDHNO-OZVIIMIRSA-N 0 3 287.363 2.042 20 30 CEEDHN C=CCOCCCN1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000495522796 381175656 /nfs/dbraw/zinc/17/56/56/381175656.db2.gz DBYZAZMHNKEFMP-ZDUSSCGKSA-N 0 3 284.400 2.178 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C ZINC000495691678 381181881 /nfs/dbraw/zinc/18/18/81/381181881.db2.gz CFHQLWRDFQGEST-VXGBXAGGSA-N 0 3 297.399 2.346 20 30 CEEDHN CN(C)C(=O)OC[C@@H]1CCCCN1CCCSCC#N ZINC000496073526 381196693 /nfs/dbraw/zinc/19/66/93/381196693.db2.gz WNKXYTLDMDLEEV-ZDUSSCGKSA-N 0 3 299.440 2.186 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC1)CC2 ZINC000574847951 299532282 /nfs/dbraw/zinc/53/22/82/299532282.db2.gz NFLYIYCFYOOQKM-NUJGCVRESA-N 0 3 295.386 2.192 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000280944334 195040569 /nfs/dbraw/zinc/04/05/69/195040569.db2.gz GMLPZHAOHNPNMX-CYBMUJFWSA-N 0 3 287.363 2.206 20 30 CEEDHN COC1([C@@H](C)NCC(=O)Nc2ccc(C#N)cc2)CCC1 ZINC000412030241 533015777 /nfs/dbraw/zinc/01/57/77/533015777.db2.gz ZJUUCIBHKOTIDB-GFCCVEGCSA-N 0 3 287.363 2.044 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000347735287 533113111 /nfs/dbraw/zinc/11/31/11/533113111.db2.gz ODYHTGLNJQHISY-DTWKUNHWSA-N 0 3 252.264 2.344 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000334602193 533118515 /nfs/dbraw/zinc/11/85/15/533118515.db2.gz QYELNNMRAFHDAO-RCOVLWMOSA-N 0 3 268.238 2.367 20 30 CEEDHN CC[C@@H]1CN(CCOc2ccc(C#N)cc2)CCCO1 ZINC000281437271 195240488 /nfs/dbraw/zinc/24/04/88/195240488.db2.gz PRVMGBZMGWLHAS-OAHLLOKOSA-N 0 3 274.364 2.438 20 30 CEEDHN CC(C)(C#N)CCCCN1CCC[C@]2(CNC(=O)O2)C1 ZINC000365190133 262283305 /nfs/dbraw/zinc/28/33/05/262283305.db2.gz BJEOSWXNUAYTTK-HNNXBMFYSA-N 0 3 279.384 2.281 20 30 CEEDHN C=CCN(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000187301088 260032608 /nfs/dbraw/zinc/03/26/08/260032608.db2.gz JNGNFRZQQPDHCY-CABCVRRESA-N 0 3 273.380 2.259 20 30 CEEDHN COc1cc(CNC[C@@H](O)Cc2ccccc2)ccc1C#N ZINC000281679751 195334460 /nfs/dbraw/zinc/33/44/60/195334460.db2.gz MEDRMYMCMXRQOR-KRWDZBQOSA-N 0 3 296.370 2.260 20 30 CEEDHN COc1cc(CN[C@H]2C[C@H](C)N(C3CC3)C2)ccc1C#N ZINC000281826642 195398293 /nfs/dbraw/zinc/39/82/93/195398293.db2.gz XIHJKJBTXAPPKY-WFASDCNBSA-N 0 3 285.391 2.282 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H](C)c1cccs1 ZINC000575086279 335063625 /nfs/dbraw/zinc/06/36/25/335063625.db2.gz OEWXGBZBRVWFQI-XQQFMLRXSA-N 0 3 294.420 2.249 20 30 CEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC1(C#N)CCC1 ZINC000331403577 533389966 /nfs/dbraw/zinc/38/99/66/533389966.db2.gz HSTZSGBYQDWDRF-ZDUSSCGKSA-N 0 3 292.427 2.052 20 30 CEEDHN Cn1cc(CN[C@@H]2CC(C)(C)OC2(C)C)cc1C#N ZINC000191568957 130255489 /nfs/dbraw/zinc/25/54/89/130255489.db2.gz UAUXWCNYJHWAAZ-CYBMUJFWSA-N 0 3 261.369 2.332 20 30 CEEDHN Cn1cc(CN[C@H]2CC(C)(C)OC2(C)C)cc1C#N ZINC000191568942 130255975 /nfs/dbraw/zinc/25/59/75/130255975.db2.gz UAUXWCNYJHWAAZ-ZDUSSCGKSA-N 0 3 261.369 2.332 20 30 CEEDHN CCN(CC)[C@H](CNc1nccnc1C#N)c1ccco1 ZINC000263782474 131330162 /nfs/dbraw/zinc/33/01/62/131330162.db2.gz IRRYXEHFFLETIQ-CYBMUJFWSA-N 0 3 285.351 2.436 20 30 CEEDHN CCC(CC)CN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000091936898 135074349 /nfs/dbraw/zinc/07/43/49/135074349.db2.gz YGQVVHKISWXXJQ-ZDUSSCGKSA-N 0 3 287.411 2.295 20 30 CEEDHN C=CCN1CCC(Nc2nc(C)nc(C)c2C)CC1 ZINC000301630257 394462739 /nfs/dbraw/zinc/46/27/39/394462739.db2.gz BCKVEPPWNIECNZ-UHFFFAOYSA-N 0 3 260.385 2.464 20 30 CEEDHN C[C@@H](O)[C@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000305156465 394496345 /nfs/dbraw/zinc/49/63/45/394496345.db2.gz CPUVSOKMBMZCKT-HIFRSBDPSA-N 0 3 274.364 2.030 20 30 CEEDHN CC[C@H](C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000421598378 394558876 /nfs/dbraw/zinc/55/88/76/394558876.db2.gz ZYFHWRLGIVWAFR-WFASDCNBSA-N 0 3 269.348 2.403 20 30 CEEDHN O=C(CCc1ncc[nH]1)N[C@H]1CCCc2cn[nH]c21 ZINC000329584918 394574900 /nfs/dbraw/zinc/57/49/00/394574900.db2.gz XXQUNWHWPYONCC-JTQLQIEISA-N 0 3 259.313 2.100 20 30 CEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(C#N)c2)C1 ZINC000246535663 394517999 /nfs/dbraw/zinc/51/79/99/394517999.db2.gz GGUCIFDVQJTNIO-JKSUJKDBSA-N 0 3 283.375 2.115 20 30 CEEDHN CC(C)(CCNCc1ccc(C#N)c(F)c1)S(C)(=O)=O ZINC000421389784 394522127 /nfs/dbraw/zinc/52/21/27/394522127.db2.gz YNCOWSZTQILKHI-UHFFFAOYSA-N 0 3 298.383 2.000 20 30 CEEDHN C=C(Br)CN[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000308672534 394530341 /nfs/dbraw/zinc/53/03/41/394530341.db2.gz VLYVAKDEVCNPDV-MNOVXSKESA-N 0 3 260.175 2.442 20 30 CEEDHN CC[C@H](NC(=O)NC[C@H]1CCCN1CC)C1CCOCC1 ZINC000329942069 394596983 /nfs/dbraw/zinc/59/69/83/394596983.db2.gz HAXPQIHYBKPPRR-CABCVRRESA-N 0 3 297.443 2.180 20 30 CEEDHN CCOC(=O)CC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000330429216 394609013 /nfs/dbraw/zinc/60/90/13/394609013.db2.gz LSHUGMVXYBJASK-UONOGXRCSA-N 0 3 264.369 2.344 20 30 CEEDHN CO[C@H]1C[C@@H](CO)N(Cc2ccccc2C(C)(C)C#N)C1 ZINC000330533373 394617849 /nfs/dbraw/zinc/61/78/49/394617849.db2.gz IDYRKQMSFGULAM-GJZGRUSLSA-N 0 3 288.391 2.069 20 30 CEEDHN C#CCCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000265095414 394645210 /nfs/dbraw/zinc/64/52/10/394645210.db2.gz VNELXAIKBMEUJP-KRWDZBQOSA-N 0 3 299.418 2.364 20 30 CEEDHN CN(C)Cc1ccc(NC(=O)C2(C#N)CCC2)cc1 ZINC000265450695 394649456 /nfs/dbraw/zinc/64/94/56/394649456.db2.gz OKGAKRYCRLXKRS-UHFFFAOYSA-N 0 3 257.337 2.381 20 30 CEEDHN CCOC(=O)c1ccc(C#N)c(SC[C@@H](C)N(C)C)n1 ZINC000358849482 394730419 /nfs/dbraw/zinc/73/04/19/394730419.db2.gz CWLCHOGPLXQLIM-SNVBAGLBSA-N 0 3 293.392 2.172 20 30 CEEDHN N#CCc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000270437025 394733974 /nfs/dbraw/zinc/73/39/74/394733974.db2.gz QESZSYSMNPNDSO-QGZVFWFLSA-N 0 3 297.402 2.453 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000359059528 394739070 /nfs/dbraw/zinc/73/90/70/394739070.db2.gz FFPSEDPYKMVGDH-KBPBESRZSA-N 0 3 280.412 2.101 20 30 CEEDHN C=CCCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000102230720 394709646 /nfs/dbraw/zinc/70/96/46/394709646.db2.gz VTCHUFCGTPERIH-UHFFFAOYSA-N 0 3 285.391 2.415 20 30 CEEDHN CC(C)N(CCC(=O)N(C)CCC#N)Cc1ccco1 ZINC000271479841 394758052 /nfs/dbraw/zinc/75/80/52/394758052.db2.gz DFUBYDHOQKWHJW-UHFFFAOYSA-N 0 3 277.368 2.252 20 30 CEEDHN C[C@H](NCCCC#N)c1ccc([S@](C)=O)cc1 ZINC000271776016 394764709 /nfs/dbraw/zinc/76/47/09/394764709.db2.gz FZEDNSCKQFTSOS-GTNSWQLSSA-N 0 3 250.367 2.378 20 30 CEEDHN OC[C@H](NCC#Cc1ccccc1Cl)C1CCOCC1 ZINC000359876291 394779198 /nfs/dbraw/zinc/77/91/98/394779198.db2.gz NDWRYJIJMDZTEA-INIZCTEOSA-N 0 3 293.794 2.069 20 30 CEEDHN CC(C#N)C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1 ZINC000335688960 394789036 /nfs/dbraw/zinc/78/90/36/394789036.db2.gz SVYKREANUIBIDB-HIFRSBDPSA-N 0 3 271.364 2.273 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1nccn1-c1ccccc1 ZINC000360259095 394795143 /nfs/dbraw/zinc/79/51/43/394795143.db2.gz YIHXEVOBPLGISJ-NEPJUHHUSA-N 0 3 268.320 2.209 20 30 CEEDHN CCC[C@@H]1CN(CCCCC#N)CCN1CCOC ZINC000121849085 394804799 /nfs/dbraw/zinc/80/47/99/394804799.db2.gz SVDMGNBTIZTGGP-OAHLLOKOSA-N 0 3 267.417 2.113 20 30 CEEDHN C=CCN(CCOC)C(=O)[C@H]1CCCN1C1CCCC1 ZINC000361091258 394815158 /nfs/dbraw/zinc/81/51/58/394815158.db2.gz MBQIYOSAGPITGN-OAHLLOKOSA-N 0 3 280.412 2.054 20 30 CEEDHN C[C@H]1CN(CC#Cc2ccc(F)cc2)[C@@H](C)CN1C ZINC000335975374 394816137 /nfs/dbraw/zinc/81/61/37/394816137.db2.gz SDQSBXVILBRPFO-KBPBESRZSA-N 0 3 260.356 2.202 20 30 CEEDHN Cc1cc(CN[C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)on1 ZINC000362033003 394842814 /nfs/dbraw/zinc/84/28/14/394842814.db2.gz RJKROCIXZKOPKS-BEAPCOKYSA-N 0 3 275.352 2.313 20 30 CEEDHN CC#CCCCC(=O)NCCN1CCCC[C@H]1C ZINC000362296203 394851683 /nfs/dbraw/zinc/85/16/83/394851683.db2.gz DDPGGAPKAIUZIO-CQSZACIVSA-N 0 3 250.386 2.171 20 30 CEEDHN C=C[C@H](C)NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000362380563 394858299 /nfs/dbraw/zinc/85/82/99/394858299.db2.gz QTMMVHYWVWTWRH-ZDUSSCGKSA-N 0 3 291.395 2.001 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@@H]2CCc3ccccc32)C1=O ZINC000281992218 394891719 /nfs/dbraw/zinc/89/17/19/394891719.db2.gz MWTUKYZMNVVNOK-CVEARBPZSA-N 0 3 270.376 2.393 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCC#Cc1ccccc1 ZINC000283252652 394931625 /nfs/dbraw/zinc/93/16/25/394931625.db2.gz VMPMEUOCGXNWEP-UONOGXRCSA-N 0 3 259.349 2.215 20 30 CEEDHN CCOc1ccc(CN(C)CCOCCC#N)cc1 ZINC000338895362 394932532 /nfs/dbraw/zinc/93/25/32/394932532.db2.gz PRALQXURAZAWTQ-UHFFFAOYSA-N 0 3 262.353 2.447 20 30 CEEDHN C=CCOCCN1CCCN(c2ccccc2C#N)CC1 ZINC000338900180 394932554 /nfs/dbraw/zinc/93/25/54/394932554.db2.gz BPEABVHDLXZFSV-UHFFFAOYSA-N 0 3 285.391 2.273 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)C1CCN(C2CC2)CC1 ZINC000338911840 394933393 /nfs/dbraw/zinc/93/33/93/394933393.db2.gz BCDITXIXTJMKBG-CYBMUJFWSA-N 0 3 250.386 2.332 20 30 CEEDHN CC(C)(C#N)CC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000366012767 394936187 /nfs/dbraw/zinc/93/61/87/394936187.db2.gz WRMYHKQWLPZVKE-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCOCCN[C@@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000339044098 394938611 /nfs/dbraw/zinc/93/86/11/394938611.db2.gz KUGBQWJDCMCKBY-UKRRQHHQSA-N 0 3 277.364 2.329 20 30 CEEDHN C=CCOCCNC1(c2ccc3c(c2)OCO3)CC1 ZINC000339074021 394940503 /nfs/dbraw/zinc/94/05/03/394940503.db2.gz GBHGUBGDBIXIQY-UHFFFAOYSA-N 0 3 261.321 2.197 20 30 CEEDHN CCN1CCc2c(cccc2NC(=O)CSCC#N)C1 ZINC000366421223 394944433 /nfs/dbraw/zinc/94/44/33/394944433.db2.gz DDDXPWWVGHILFO-UHFFFAOYSA-N 0 3 289.404 2.260 20 30 CEEDHN C[C@H]1[C@H](C(F)(F)F)CCN1CCOCCC#N ZINC000339141350 394945961 /nfs/dbraw/zinc/94/59/61/394945961.db2.gz SHSSYSIKWPWQOO-VHSXEESVSA-N 0 3 250.264 2.189 20 30 CEEDHN CC1(C)CN([C@@H]2CC[C@@H](C#N)C2)C[C@]2(CCCOC2)O1 ZINC000339150317 394946522 /nfs/dbraw/zinc/94/65/22/394946522.db2.gz VIJLPTJBBPDJMF-FMKPAKJESA-N 0 3 278.396 2.339 20 30 CEEDHN C#CC[C@@H](C)N[C@H]1CCCc2c1cnn2-c1ncccn1 ZINC000366523327 394947125 /nfs/dbraw/zinc/94/71/25/394947125.db2.gz TVUGKMNNDBIISD-OCCSQVGLSA-N 0 3 281.363 2.041 20 30 CEEDHN C=CC[C@H](C)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415970554 394988611 /nfs/dbraw/zinc/98/86/11/394988611.db2.gz IKDOUXJUYMMYAD-NSHDSACASA-N 0 3 275.352 2.255 20 30 CEEDHN C=CCCOCCCCC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000342982684 395028861 /nfs/dbraw/zinc/02/88/61/395028861.db2.gz YQIMVXSTUWYMIK-LSDHHAIUSA-N 0 3 294.439 2.491 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc(C(=O)OC)cs1 ZINC000286309518 395019269 /nfs/dbraw/zinc/01/92/69/395019269.db2.gz XKNIUKWBWUBITQ-ONGXEEELSA-N 0 3 269.366 2.122 20 30 CEEDHN C=C(C)[C@H](CC(=O)NCCN1CCC[C@H](C)C1)OCC ZINC000339421002 394958982 /nfs/dbraw/zinc/95/89/82/394958982.db2.gz CPFKEOGKZAJKKZ-GJZGRUSLSA-N 0 3 282.428 2.206 20 30 CEEDHN CCCC[C@H](C)N(CCCC)CC(=O)NCC#N ZINC000339647213 394966671 /nfs/dbraw/zinc/96/66/71/394966671.db2.gz LDEOBEZGSKPCFH-ZDUSSCGKSA-N 0 3 253.390 2.307 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CCc2cncs2)CC1 ZINC000340000386 394976484 /nfs/dbraw/zinc/97/64/84/394976484.db2.gz XKGVOABWGIWVKC-UHFFFAOYSA-N 0 3 293.436 2.232 20 30 CEEDHN C#CCN(CC)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000287919861 395048741 /nfs/dbraw/zinc/04/87/41/395048741.db2.gz FDGZCCAOXSUQBY-RDJZCZTQSA-N 0 3 299.418 2.314 20 30 CEEDHN C=CCOc1ccc(CC(=O)NCC2(N(C)C)CC2)cc1 ZINC000416305658 395051353 /nfs/dbraw/zinc/05/13/53/395051353.db2.gz BYDKDCONDDPCLD-UHFFFAOYSA-N 0 3 288.391 2.004 20 30 CEEDHN COc1ccc([C@@H](C)CCNC(=O)C(C)C#N)cc1 ZINC000346442217 395100213 /nfs/dbraw/zinc/10/02/13/395100213.db2.gz ZWRMNEJGJXHURY-RYUDHWBXSA-N 0 3 260.337 2.465 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000373186887 395055889 /nfs/dbraw/zinc/05/58/89/395055889.db2.gz RXQMNOZMMMHCDX-ZNMIVQPWSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC(F)C1)C(C)C ZINC000345479817 395067584 /nfs/dbraw/zinc/06/75/84/395067584.db2.gz NLWKVMWYGFCIPJ-CQSZACIVSA-N 0 3 283.391 2.048 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000426041015 395072283 /nfs/dbraw/zinc/07/22/83/395072283.db2.gz CDRGKHLKKMLCSW-MELADBBJSA-N 0 3 277.412 2.362 20 30 CEEDHN Cc1ccccc1CN1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC000345768194 395076546 /nfs/dbraw/zinc/07/65/46/395076546.db2.gz CLVDISRLVQPYJV-AWEZNQCLSA-N 0 3 285.391 2.235 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000374265605 395077814 /nfs/dbraw/zinc/07/78/14/395077814.db2.gz NUWCYTUGVYMDBN-CRAIPNDOSA-N 0 3 299.418 2.220 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2C[C@H]2C(F)F)cc1 ZINC000345858692 395080203 /nfs/dbraw/zinc/08/02/03/395080203.db2.gz GGXVUHACMGNBPJ-UPJWGTAASA-N 0 3 289.285 2.010 20 30 CEEDHN C=C[C@H](CO)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000289600338 395081244 /nfs/dbraw/zinc/08/12/44/395081244.db2.gz CODODHYXUJOXJQ-DGCLKSJQSA-N 0 3 250.298 2.182 20 30 CEEDHN CC#CCN1CCC[C@H]1[C@@H](O)c1ccc(OC)cc1 ZINC000374424922 395082577 /nfs/dbraw/zinc/08/25/77/395082577.db2.gz 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BVCHYIXQHGZANZ-PELKAZGASA-N 0 3 251.355 2.353 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCN1C ZINC000286902851 395031671 /nfs/dbraw/zinc/03/16/71/395031671.db2.gz FKHNQNCFVNHUIS-DLBZAZTESA-N 0 3 299.418 2.014 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](C2CCOCC2)C1 ZINC000372212041 395036744 /nfs/dbraw/zinc/03/67/44/395036744.db2.gz NZAVQJRLOXTFAD-MRXNPFEDSA-N 0 3 294.439 2.160 20 30 CEEDHN C=CCC[C@@H](CO)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416245612 395037014 /nfs/dbraw/zinc/03/70/14/395037014.db2.gz LAIOUQKXWPZCTK-JKSUJKDBSA-N 0 3 290.407 2.123 20 30 CEEDHN C[C@H]1[C@@H](Nc2nc3c(cc2C#N)CCC3)CCCN1C ZINC000343592387 395041928 /nfs/dbraw/zinc/04/19/28/395041928.db2.gz KWZQSPLCRSGQOV-FZMZJTMJSA-N 0 3 270.380 2.337 20 30 CEEDHN CC(C)[C@@H]1CN(C)CCN1Cc1ccc(F)c(C#N)c1 ZINC000436482115 395120496 /nfs/dbraw/zinc/12/04/96/395120496.db2.gz GTRJRWVVFJZKKC-INIZCTEOSA-N 0 3 275.371 2.469 20 30 CEEDHN CO[C@H](C)[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000427598847 395123381 /nfs/dbraw/zinc/12/33/81/395123381.db2.gz JKDGRCYQNHELOK-NFAWXSAZSA-N 0 3 274.364 2.299 20 30 CEEDHN C[C@H]1CCC[C@H](N(C)CC(=O)NC2(C#N)CCC2)C1 ZINC000346826006 395109704 /nfs/dbraw/zinc/10/97/04/395109704.db2.gz DFOXQRHQXGFRIP-STQMWFEESA-N 0 3 263.385 2.059 20 30 CEEDHN FC(F)(F)c1ccc(C#CCN[C@H]2CCOC2)cc1 ZINC000176501484 395139631 /nfs/dbraw/zinc/13/96/31/395139631.db2.gz BFSHPAAXBNIVJY-ZDUSSCGKSA-N 0 3 269.266 2.435 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@](C)(O)CC1 ZINC000348359852 395142642 /nfs/dbraw/zinc/14/26/42/395142642.db2.gz CKFCDPXMSKDXMT-GOEBONIOSA-N 0 3 282.428 2.036 20 30 CEEDHN CN(C)[C@@H](CNC(=O)c1ccc(C#N)o1)Cc1ccccc1 ZINC000429938328 395159508 /nfs/dbraw/zinc/15/95/08/395159508.db2.gz DEEZKXQZTOICRZ-CQSZACIVSA-N 0 3 297.358 2.054 20 30 CEEDHN C[C@H](CNC(=O)NCC1(CC#N)CC1)N1CCCC[C@H]1C ZINC000430166917 395161922 /nfs/dbraw/zinc/16/19/22/395161922.db2.gz RLQGJJMEBRBBLX-ZIAGYGMSSA-N 0 3 292.427 2.242 20 30 CEEDHN C=CCCCCNC(=O)NCCN1CCCCC1 ZINC000349059631 395157709 /nfs/dbraw/zinc/15/77/09/395157709.db2.gz YENQJDGMQHUPQW-UHFFFAOYSA-N 0 3 253.390 2.128 20 30 CEEDHN C=CCOc1ccccc1CNCCN1CCCOCC1 ZINC000349367532 395167334 /nfs/dbraw/zinc/16/73/34/395167334.db2.gz LSTNMXPGLMLINU-UHFFFAOYSA-N 0 3 290.407 2.063 20 30 CEEDHN C=CCC[C@H](O)CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000352431192 395253044 /nfs/dbraw/zinc/25/30/44/395253044.db2.gz JPWMPDKUGYWDLB-KKUMJFAQSA-N 0 3 265.397 2.347 20 30 CEEDHN C[C@H]1CCCN1C(=O)CCN(C)Cc1cccc(C#N)c1 ZINC000438840642 395230696 /nfs/dbraw/zinc/23/06/96/395230696.db2.gz NRGHLLHZSJCHLK-AWEZNQCLSA-N 0 3 285.391 2.391 20 30 CEEDHN C=CCN(CCc1c(C)nc2sccn2c1=O)C1CC1 ZINC000351734811 395231785 /nfs/dbraw/zinc/23/17/85/395231785.db2.gz JURVWUUZJOSUFJ-UHFFFAOYSA-N 0 3 289.404 2.257 20 30 CEEDHN C#CCNC(=O)CCN(C)[C@H](C)c1cccc(Cl)c1 ZINC000293632306 395245019 /nfs/dbraw/zinc/24/50/19/395245019.db2.gz WWSVRQJWOMYNCJ-GFCCVEGCSA-N 0 3 278.783 2.472 20 30 CEEDHN Cn1cc(CN2CCOC[C@@H](C3CCC3)C2)cc1C#N ZINC000292817875 395206835 /nfs/dbraw/zinc/20/68/35/395206835.db2.gz POSKJNQPXGQPBZ-HNNXBMFYSA-N 0 3 273.380 2.145 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@H](O)C12CCCC2 ZINC000433319608 395222759 /nfs/dbraw/zinc/22/27/59/395222759.db2.gz RQYBKWNDHQOKGZ-INIZCTEOSA-N 0 3 286.375 2.446 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@@H](O)C12CCCC2 ZINC000433319609 395223179 /nfs/dbraw/zinc/22/31/79/395223179.db2.gz RQYBKWNDHQOKGZ-MRXNPFEDSA-N 0 3 286.375 2.446 20 30 CEEDHN N#Cc1cccc(CN[C@]2(CO)COc3ccccc3C2)c1 ZINC000527768745 395281043 /nfs/dbraw/zinc/28/10/43/395281043.db2.gz RLZWNGCMBUVGMS-GOSISDBHSA-N 0 3 294.354 2.014 20 30 CEEDHN N#Cc1cccnc1NC[C@@H]1CCN1C1CCCC1 ZINC000528211736 395287431 /nfs/dbraw/zinc/28/74/31/395287431.db2.gz VLYSTWAZXJYICM-AWEZNQCLSA-N 0 3 256.353 2.382 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCSC2)CC1 ZINC000354285291 395325513 /nfs/dbraw/zinc/32/55/13/395325513.db2.gz VJNOQOBTCCCUEP-CYBMUJFWSA-N 0 3 282.453 2.286 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCN(C2CC2)C[C@@H](C)C1 ZINC000296741386 395326242 /nfs/dbraw/zinc/32/62/42/395326242.db2.gz OWLJLLWUFNYPAP-AWEZNQCLSA-N 0 3 299.418 2.483 20 30 CEEDHN CCCN(CCC)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000411168113 395321584 /nfs/dbraw/zinc/32/15/84/395321584.db2.gz PPHQWQOBFMHNBX-GFCCVEGCSA-N 0 3 251.374 2.059 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000293864130 395254824 /nfs/dbraw/zinc/25/48/24/395254824.db2.gz BJBOTPUMQVAYCZ-KBPBESRZSA-N 0 3 290.432 2.231 20 30 CEEDHN C[C@@H]1CN(Cc2nc(C#N)cs2)CCN(C2CCC2)C1 ZINC000419268904 395255488 /nfs/dbraw/zinc/25/54/88/395255488.db2.gz ARNGMCQFQQJAMF-GFCCVEGCSA-N 0 3 290.436 2.321 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1ccc2ccccc2c1 ZINC000293887598 395256176 /nfs/dbraw/zinc/25/61/76/395256176.db2.gz DFECZEPWRIDUAA-UHFFFAOYSA-N 0 3 294.398 2.454 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](c1ccccc1)C(C)C ZINC000294034283 395264555 /nfs/dbraw/zinc/26/45/55/395264555.db2.gz RSZGJEINTQNKKR-QGZVFWFLSA-N 0 3 286.419 2.498 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2C(N)=O)c(Cl)c1 ZINC000439430593 395265931 /nfs/dbraw/zinc/26/59/31/395265931.db2.gz MKHSWNRXTSBFNB-GXTWGEPZSA-N 0 3 291.782 2.345 20 30 CEEDHN CCC[C@@H]1CN([C@H](C)CCC#N)CCN1CCOC ZINC000411416571 395329077 /nfs/dbraw/zinc/32/90/77/395329077.db2.gz CULGMQFUQUPLON-HUUCEWRRSA-N 0 3 267.417 2.111 20 30 CEEDHN C=CCN(C)CCN(CC)CCc1cscn1 ZINC000411640064 395333679 /nfs/dbraw/zinc/33/36/79/395333679.db2.gz DQACCOIBOBHQNT-UHFFFAOYSA-N 0 3 253.415 2.125 20 30 CEEDHN CCOCCOCCN(C)Cc1ccc(C#N)cc1C ZINC000190264489 395338445 /nfs/dbraw/zinc/33/84/45/395338445.db2.gz ORISVTQUYZGTFW-UHFFFAOYSA-N 0 3 276.380 2.352 20 30 CEEDHN CC(C)(C)C[C@H]1CCN(CC(=O)NCC#N)C1(C)C ZINC000412031470 395345392 /nfs/dbraw/zinc/34/53/92/395345392.db2.gz FVXUJXWBYFKBFI-GFCCVEGCSA-N 0 3 265.401 2.163 20 30 CEEDHN C[C@H](CC#N)N(C)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000412169707 395350534 /nfs/dbraw/zinc/35/05/34/395350534.db2.gz CLCBNKXGVGDDDK-FVCCEPFGSA-N 0 3 251.374 2.008 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)Cc1cccc(C#N)c1 ZINC000531560788 395458897 /nfs/dbraw/zinc/45/88/97/395458897.db2.gz OXEHOBJAZRQFSS-INIZCTEOSA-N 0 3 287.407 2.193 20 30 CEEDHN CC(C)N(CC(=O)NCc1ccc(C#N)cc1)CC1CC1 ZINC000532660021 395460325 /nfs/dbraw/zinc/46/03/25/395460325.db2.gz YZYNUGDQCANCPM-UHFFFAOYSA-N 0 3 285.391 2.295 20 30 CEEDHN Cc1cc(CNCC[C@@H](C)[S@@](C)=O)ccc1C#N ZINC000443984776 395407856 /nfs/dbraw/zinc/40/78/56/395407856.db2.gz SWCICABKZYZUGZ-KZULUSFZSA-N 0 3 264.394 2.113 20 30 CEEDHN CSC[C@H](CCO)NCc1ccc(C#N)c(C)c1 ZINC000444000409 395410816 /nfs/dbraw/zinc/41/08/16/395410816.db2.gz DIHPCAXHPUWEQS-AWEZNQCLSA-N 0 3 264.394 2.070 20 30 CEEDHN CCN1CCCN(c2cccc(-n3cccn3)c2C#N)CC1 ZINC000566478978 395529272 /nfs/dbraw/zinc/52/92/72/395529272.db2.gz OXGCZCGIRIOQHY-UHFFFAOYSA-N 0 3 295.390 2.276 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000448705024 395532471 /nfs/dbraw/zinc/53/24/71/395532471.db2.gz RGJIEJGZZKMWCK-NWDGAFQWSA-N 0 3 288.395 2.045 20 30 CEEDHN Cc1cc(C)cc([C@H](C)NC[C@H](O)CN(C)CCC#N)c1 ZINC000566969142 395534544 /nfs/dbraw/zinc/53/45/44/395534544.db2.gz WAQWXPKYODVMEV-RDJZCZTQSA-N 0 3 289.423 2.160 20 30 CEEDHN N#Cc1cnn2cc(CNCC3(C(F)(F)F)CC3)cnc12 ZINC000567887490 395539476 /nfs/dbraw/zinc/53/94/76/395539476.db2.gz LUOZNNVDILHNQT-UHFFFAOYSA-N 0 3 295.268 2.033 20 30 CEEDHN COc1ccc(CN2CC[C@@H](OC)[C@H](C)C2)cc1C#N ZINC000449511782 395552177 /nfs/dbraw/zinc/55/21/77/395552177.db2.gz YYMKNQIFCVUFEF-IUODEOHRSA-N 0 3 274.364 2.424 20 30 CEEDHN COc1ccc(CN2CC[C@H](OC)[C@H](C)C2)cc1C#N ZINC000449511781 395552275 /nfs/dbraw/zinc/55/22/75/395552275.db2.gz YYMKNQIFCVUFEF-DOMZBBRYSA-N 0 3 274.364 2.424 20 30 CEEDHN CNC(=O)C[C@@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000449606094 395556840 /nfs/dbraw/zinc/55/68/40/395556840.db2.gz XRCZVTRXXDUBJM-SECBINFHSA-N 0 3 299.296 2.191 20 30 CEEDHN CO[C@@H]1C[C@@H](N(C)Cc2cc(C#N)n(C)c2)C12CCC2 ZINC000449630117 395557716 /nfs/dbraw/zinc/55/77/16/395557716.db2.gz HAYUJOIRXWCBFP-HUUCEWRRSA-N 0 3 273.380 2.286 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNc1nccc(C#N)n1)C(C)C ZINC000450246585 395570132 /nfs/dbraw/zinc/57/01/32/395570132.db2.gz RHSCSKKVFUNIOE-HNNXBMFYSA-N 0 3 285.395 2.459 20 30 CEEDHN C=CCCOCCCCC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000570408864 395582171 /nfs/dbraw/zinc/58/21/71/395582171.db2.gz LFZCSBGBMDTCJE-JKSUJKDBSA-N 0 3 294.439 2.445 20 30 CEEDHN CC(C#N)C(=O)N1CCC(F)(c2ccccn2)CC1 ZINC000570521312 395582335 /nfs/dbraw/zinc/58/23/35/395582335.db2.gz OIWKSQVPGOOPKW-LLVKDONJSA-N 0 3 261.300 2.028 20 30 CEEDHN CC1(C)[C@H](NC[C@H](C#N)CCC#N)[C@@H]2CCCO[C@H]21 ZINC000572802419 395587537 /nfs/dbraw/zinc/58/75/37/395587537.db2.gz XDUGPJOMFCQOFK-IGQOVBAYSA-N 0 3 261.369 2.223 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H]1C[C@@H](OC)C1(C)C ZINC000451510187 395622003 /nfs/dbraw/zinc/62/20/03/395622003.db2.gz VFTRKDDRVQRQLP-LSDHHAIUSA-N 0 3 274.364 2.470 20 30 CEEDHN CO[C@@H]1CCN(CCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000451552715 395622492 /nfs/dbraw/zinc/62/24/92/395622492.db2.gz XOXSXLGELDLZHN-XJKSGUPXSA-N 0 3 274.364 2.294 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@@H](OC)[C@@H](C)C1 ZINC000451574223 395623206 /nfs/dbraw/zinc/62/32/06/395623206.db2.gz RMWSFBXBAPSBTA-SWLSCSKDSA-N 0 3 274.364 2.424 20 30 CEEDHN N#Cc1ccc(CN2C[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1F ZINC000595636035 395666326 /nfs/dbraw/zinc/66/63/26/395666326.db2.gz QUHUJZAZRAXGBV-QLFBSQMISA-N 0 3 274.339 2.290 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2nccs2)cc1 ZINC000471745236 395666953 /nfs/dbraw/zinc/66/69/53/395666953.db2.gz AOHMYPNQTVDTJG-ZDUSSCGKSA-N 0 3 296.355 2.013 20 30 CEEDHN Cc1cc(CN2CCC[C@H](Cn3ccnn3)C2)ccc1C#N ZINC000488157125 395668196 /nfs/dbraw/zinc/66/81/96/395668196.db2.gz ZQPPBKLJKMBIRT-INIZCTEOSA-N 0 3 295.390 2.370 20 30 CEEDHN COCCN(Cc1ccc(C#N)c(C)c1)[C@H]1CCO[C@@H]1C ZINC000489433638 395668558 /nfs/dbraw/zinc/66/85/58/395668558.db2.gz KLMBJAMQDGSVSA-PBHICJAKSA-N 0 3 288.391 2.493 20 30 CEEDHN C=CC[C@@H](CO)NCc1cn(C)nc1-c1ccc(F)cc1 ZINC000648517442 395923463 /nfs/dbraw/zinc/92/34/63/395923463.db2.gz AMEIRXDCEHOANW-HNNXBMFYSA-N 0 3 289.354 2.253 20 30 CEEDHN CC(C)(C)CCNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000159590396 297429202 /nfs/dbraw/zinc/42/92/02/297429202.db2.gz VQGYMRJGCSCRHP-UHFFFAOYSA-N 0 3 294.420 2.358 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC2(C[C@@H]1C)CCOCC2 ZINC000646101758 396294306 /nfs/dbraw/zinc/29/43/06/396294306.db2.gz LMMLFFIUVRJZCM-HNNXBMFYSA-N 0 3 294.439 2.302 20 30 CEEDHN C[C@H]1[C@@H](Nc2ccc(C(F)(F)F)c(C#N)n2)CCCN1C ZINC000337021238 400359488 /nfs/dbraw/zinc/35/94/88/400359488.db2.gz RLFWYOJHTBFFSP-ONGXEEELSA-N 0 3 298.312 2.289 20 30 CEEDHN CC1CCN(CCNC(=O)c2cscc2C#N)CC1 ZINC000432713490 400576615 /nfs/dbraw/zinc/57/66/15/400576615.db2.gz JIPDILFIHLPNEE-UHFFFAOYSA-N 0 3 277.393 2.081 20 30 CEEDHN CCOC(=O)C[C@@H](C)N(C)Cc1ccc(C#N)c(F)c1 ZINC000192174632 153201394 /nfs/dbraw/zinc/20/13/94/153201394.db2.gz AWWXCQYDOIJYTC-LLVKDONJSA-N 0 3 278.327 2.471 20 30 CEEDHN CN(CCN1CCCC1)Cc1cccc(C#N)c1F ZINC000223540616 153317194 /nfs/dbraw/zinc/31/71/94/153317194.db2.gz YHZYVGBCCLJGBH-UHFFFAOYSA-N 0 3 261.344 2.225 20 30 CEEDHN CC(C)[C@H](CCO)NCc1cccc(C#N)c1F ZINC000227014727 153336603 /nfs/dbraw/zinc/33/66/03/153336603.db2.gz YEEBKLCLFIAVLV-ZDUSSCGKSA-N 0 3 250.317 2.194 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)CCCCCO ZINC000227063021 153336749 /nfs/dbraw/zinc/33/67/49/153336749.db2.gz JCKKYKSSKUITEL-UHFFFAOYSA-N 0 3 262.353 2.161 20 30 CEEDHN COc1cc(CNCc2cccc(CO)c2)ccc1C#N ZINC000227472359 153341521 /nfs/dbraw/zinc/34/15/21/153341521.db2.gz AXGQJJJJHSKSTP-UHFFFAOYSA-N 0 3 282.343 2.349 20 30 CEEDHN COc1ccc(CN[C@@H]2CCO[C@H]2C2CC2)cc1C#N ZINC000230316407 153389391 /nfs/dbraw/zinc/38/93/91/153389391.db2.gz GZLVZBZCEVCTHI-ZBFHGGJFSA-N 0 3 272.348 2.224 20 30 CEEDHN N#Cc1cccnc1N1CCC[C@@H](N2CCCCC2)C1 ZINC000363396392 156026546 /nfs/dbraw/zinc/02/65/46/156026546.db2.gz SADPDQNQAJUHHR-OAHLLOKOSA-N 0 3 270.380 2.408 20 30 CEEDHN Cn1cc(CN2CCC[C@@]3(CCCCO3)C2)cc1C#N ZINC000364818831 156069269 /nfs/dbraw/zinc/06/92/69/156069269.db2.gz WASVALRMOFKJQA-INIZCTEOSA-N 0 3 273.380 2.432 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3cccc(C#N)c3)[C@H]2C1 ZINC000374896479 157029130 /nfs/dbraw/zinc/02/91/30/157029130.db2.gz OIYZTYVWVIRSFY-WBXGCANISA-N 0 3 295.386 2.124 20 30 CEEDHN CC[C@@H]1CCC[C@@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000348156529 287078749 /nfs/dbraw/zinc/07/87/49/287078749.db2.gz DFMQHIZXRINCCU-SNPRPXQTSA-N 0 3 271.364 2.253 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](OCCO)C1 ZINC000246288164 287130932 /nfs/dbraw/zinc/13/09/32/287130932.db2.gz CWGGUAJMCAUGDM-XJKSGUPXSA-N 0 3 274.364 2.093 20 30 CEEDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NCc1ccc(C#N)cc1 ZINC000285473751 196295758 /nfs/dbraw/zinc/29/57/58/196295758.db2.gz KWOYYQNASJCHEB-GDBMZVCRSA-N 0 3 285.391 2.341 20 30 CEEDHN CC(C)C[C@@H](CNC(=O)c1ccc(F)c(C#N)c1)N(C)C ZINC000285564603 196328513 /nfs/dbraw/zinc/32/85/13/196328513.db2.gz NGXJZVFSNGTHRX-AWEZNQCLSA-N 0 3 291.370 2.403 20 30 CEEDHN COC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000037266327 173076192 /nfs/dbraw/zinc/07/61/92/173076192.db2.gz GDVZBKJOXQTXSX-UHFFFAOYSA-N 0 3 260.337 2.048 20 30 CEEDHN Cc1cc(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c(C#N)cn1 ZINC000425270014 414814402 /nfs/dbraw/zinc/81/44/02/414814402.db2.gz RZWASAFUTWOQET-WOSRLPQWSA-N 0 3 284.407 2.428 20 30 CEEDHN C=CCC1(C(=O)N(C)CCN2CCCCC2)CCOCC1 ZINC000652992979 414863593 /nfs/dbraw/zinc/86/35/93/414863593.db2.gz QXOLFUOKQUZAOA-UHFFFAOYSA-N 0 3 294.439 2.304 20 30 CEEDHN C=CCCn1cc(CN[C@@H]2CCOC3(CCCC3)C2)nn1 ZINC000657401964 414915543 /nfs/dbraw/zinc/91/55/43/414915543.db2.gz ZODYJKAETBAUOD-CQSZACIVSA-N 0 3 290.411 2.436 20 30 CEEDHN C=C(C)[C@H](CC(=O)N[C@H]1CCCN2CCCC[C@H]12)OCC ZINC000654313135 414900778 /nfs/dbraw/zinc/90/07/78/414900778.db2.gz VOULXGYKOKZIKR-XHSDSOJGSA-N 0 3 294.439 2.491 20 30 CEEDHN C=CCCOCCNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654509096 414955152 /nfs/dbraw/zinc/95/51/52/414955152.db2.gz QTGGFCYKVSFQKL-UHFFFAOYSA-N 0 3 297.443 2.095 20 30 CEEDHN C=CCCn1cc(CN2CCC[C@@H]2C2CCOCC2)nn1 ZINC000653609593 415052702 /nfs/dbraw/zinc/05/27/02/415052702.db2.gz VVKDTADGMHYRHW-MRXNPFEDSA-N 0 3 290.411 2.245 20 30 CEEDHN C=CCCn1cc(CN(CCC)CCN2CCCC2)nn1 ZINC000653672081 415071185 /nfs/dbraw/zinc/07/11/85/415071185.db2.gz AXSBNTZTVJVCEF-UHFFFAOYSA-N 0 3 291.443 2.162 20 30 CEEDHN C=CCN(CCO[C@@H]1CCCCO1)[C@H](C)COC ZINC000661240851 415150947 /nfs/dbraw/zinc/15/09/47/415150947.db2.gz SHWUICOEHXZWLB-ZIAGYGMSSA-N 0 3 257.374 2.053 20 30 CEEDHN C=CCOCCCN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000658206019 415256603 /nfs/dbraw/zinc/25/66/03/415256603.db2.gz KWKJQJYDCMRTRW-OAHLLOKOSA-N 0 3 290.342 2.216 20 30 CEEDHN C[C@@]12COC[C@@H]1CN(CC#Cc1ccc(F)cc1)C2 ZINC000661700013 415409199 /nfs/dbraw/zinc/40/91/99/415409199.db2.gz LXRWYKWFMXNYMA-GOEBONIOSA-N 0 3 259.324 2.146 20 30 CEEDHN C=CCN(C(=O)Nc1cccc(CNC)c1)[C@H](C)COC ZINC000659017679 415387893 /nfs/dbraw/zinc/38/78/93/415387893.db2.gz AGBPBOCVKKZRDH-CYBMUJFWSA-N 0 3 291.395 2.461 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CNCCC1(F)F ZINC000659329349 415518890 /nfs/dbraw/zinc/51/88/90/415518890.db2.gz MTDZAFZDBOGHEH-FRRDWIJNSA-N 0 3 286.366 2.482 20 30 CEEDHN C=CCC[C@@H](O)CN1CC2(CCCC2)OC[C@H]1C ZINC000661982596 415558030 /nfs/dbraw/zinc/55/80/30/415558030.db2.gz QCASMVAPBLJCFW-ZIAGYGMSSA-N 0 3 253.386 2.347 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N[C@@H](C)CC ZINC000662080714 415616014 /nfs/dbraw/zinc/61/60/14/415616014.db2.gz QEJVTQVJSGDGQR-XDQVBPFNSA-N 0 3 250.386 2.473 20 30 CEEDHN C=C[C@@H](C)NC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000656110625 415596333 /nfs/dbraw/zinc/59/63/33/415596333.db2.gz JRRDRLFOHHJFKD-GFCCVEGCSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCc1cc(CN(C[C@H](C)O)C2CC2)cc(OC)c1O ZINC000656277632 415671853 /nfs/dbraw/zinc/67/18/53/415671853.db2.gz CYRNHQJRUUEEEU-LBPRGKRZSA-N 0 3 291.391 2.475 20 30 CEEDHN C=CCN(C(=O)NC[C@H]1CCN1C(C)(C)C)C1CC1 ZINC000665361031 415708860 /nfs/dbraw/zinc/70/88/60/415708860.db2.gz HTCWGFKXCCALMF-CYBMUJFWSA-N 0 3 265.401 2.219 20 30 CEEDHN C=CCN(C(=O)N[C@H]1CCN(C(C)(C)C)C1)[C@H](C)COC ZINC000665552757 415778316 /nfs/dbraw/zinc/77/83/16/415778316.db2.gz IEOBHIQPIVOCAD-KGLIPLIRSA-N 0 3 297.443 2.092 20 30 CEEDHN C=CCCn1cc(CNc2cc(C)cc(C)n2)nn1 ZINC000656767763 415850258 /nfs/dbraw/zinc/85/02/58/415850258.db2.gz BMAWKOGKMATLFV-UHFFFAOYSA-N 0 3 257.341 2.478 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000078759504 177383359 /nfs/dbraw/zinc/38/33/59/177383359.db2.gz NKNYIFQBSROEIG-CYBMUJFWSA-N 0 3 252.402 2.437 20 30 CEEDHN CN(Cc1cnc2c(C#N)cnn2c1)C[C@@H]1CC=CCC1 ZINC000566798122 299022795 /nfs/dbraw/zinc/02/27/95/299022795.db2.gz WCRPZGIHVPFLBI-CYBMUJFWSA-N 0 3 281.363 2.389 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000566858605 299027443 /nfs/dbraw/zinc/02/74/43/299027443.db2.gz RYKOESJYSQRJDC-TZMCWYRMSA-N 0 3 289.335 2.107 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000348018689 226396571 /nfs/dbraw/zinc/39/65/71/226396571.db2.gz RUHNUIKPUMOFNX-FOGDFJRCSA-N 0 3 264.350 2.196 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000171741331 335076929 /nfs/dbraw/zinc/07/69/29/335076929.db2.gz QKRDYWFQVHHRFW-ZIAGYGMSSA-N 0 3 279.428 2.324 20 30 CEEDHN CCn1c(C)cc(C(=O)C(C#N)c2ccncn2)c1C ZINC000354466018 227003033 /nfs/dbraw/zinc/00/30/33/227003033.db2.gz JTWDLNKWAJXGNS-CYBMUJFWSA-N 0 3 268.320 2.405 20 30 CEEDHN CCn1ncnc1CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000330101015 228039537 /nfs/dbraw/zinc/03/95/37/228039537.db2.gz HXFWBBCEJRQPSB-ZDUSSCGKSA-N 0 3 291.399 2.162 20 30 CEEDHN Cc1nccc(NC(=O)NCC(C)(C)N2CCCCC2)n1 ZINC000330168070 228054618 /nfs/dbraw/zinc/05/46/18/228054618.db2.gz ZQMMADOQUBLJDC-UHFFFAOYSA-N 0 3 291.399 2.375 20 30 CEEDHN N#CC(C(=O)Nc1ccc(F)cc1F)c1ccncn1 ZINC000352327025 228220101 /nfs/dbraw/zinc/22/01/01/228220101.db2.gz SBMPHWAIPNQBLZ-SECBINFHSA-N 0 3 274.230 2.001 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](C)CCCC=C)CC1 ZINC000179793638 260070078 /nfs/dbraw/zinc/07/00/78/260070078.db2.gz KXKVDQSFLYEXOT-AWEZNQCLSA-N 0 3 262.397 2.193 20 30 CEEDHN C#CCOc1ccccc1CNCCC(=O)N[C@H](C)CC ZINC000037997173 260123382 /nfs/dbraw/zinc/12/33/82/260123382.db2.gz GEMQPUSEQAJIOQ-CQSZACIVSA-N 0 3 288.391 2.093 20 30 CEEDHN CCCCCCCC(=O)N1CCCN(CCN(C)C)CC1 ZINC000363380160 260148019 /nfs/dbraw/zinc/14/80/19/260148019.db2.gz FUTGBLRNHBQQAO-UHFFFAOYSA-N 0 3 297.487 2.443 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCc3cc(C)ccc32)CC1 ZINC000299263351 260178672 /nfs/dbraw/zinc/17/86/72/260178672.db2.gz DIJJYCJQUYKBPS-SFHVURJKSA-N 0 3 296.414 2.444 20 30 CEEDHN C#CCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000368003786 260256389 /nfs/dbraw/zinc/25/63/89/260256389.db2.gz ARKOPWDTXVRSJE-SJORKVTESA-N 0 3 297.402 2.068 20 30 CEEDHN CCN(CC#N)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000363439063 260259888 /nfs/dbraw/zinc/25/98/88/260259888.db2.gz ZHDIKBWLWOGNMD-UHFFFAOYSA-N 0 3 285.391 2.271 20 30 CEEDHN C[C@@H](CN1CCCCCC1)NC(=O)C1(C#N)CCC1 ZINC000408315336 260783887 /nfs/dbraw/zinc/78/38/87/260783887.db2.gz ZXRWGQLLGGKOMB-ZDUSSCGKSA-N 0 3 263.385 2.061 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccc(O)cc1)CC1CC1 ZINC000427881317 260871700 /nfs/dbraw/zinc/87/17/00/260871700.db2.gz YSZUQAWLVFRKFQ-LLVKDONJSA-N 0 3 258.321 2.290 20 30 CEEDHN C=CCCCNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000448390693 261140072 /nfs/dbraw/zinc/14/00/72/261140072.db2.gz UWZMOTHTQOCDGM-STQMWFEESA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCOc1ccc(CN2C[C@@H](O)C(C)(C)C2)cc1 ZINC000448371706 261133213 /nfs/dbraw/zinc/13/32/13/261133213.db2.gz FKEBBFTYIBTTSU-OAHLLOKOSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCCCNC(=O)N(CCN(C)C)CC(C)C ZINC000448390795 261140015 /nfs/dbraw/zinc/14/00/15/261140015.db2.gz SAZXEPWPHOKOKS-UHFFFAOYSA-N 0 3 255.406 2.182 20 30 CEEDHN C#CCN(CC#N)C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000491015349 261297120 /nfs/dbraw/zinc/29/71/20/261297120.db2.gz XWTJLRISZHREHD-UHFFFAOYSA-N 0 3 295.386 2.270 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccco2)CC1 ZINC000106255027 261323808 /nfs/dbraw/zinc/32/38/08/261323808.db2.gz DPASUSHZJOCBKL-UHFFFAOYSA-N 0 3 291.395 2.162 20 30 CEEDHN C#C[C@@H](NC(=O)C(=C)CN(C)C)c1ccc(Cl)cc1F ZINC000491775223 262034082 /nfs/dbraw/zinc/03/40/82/262034082.db2.gz XEIRGFFKJSLOFM-CQSZACIVSA-N 0 3 294.757 2.387 20 30 CEEDHN C=CCN1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000497240202 262121238 /nfs/dbraw/zinc/12/12/38/262121238.db2.gz OIESRFSABVCVNU-OLZOCXBDSA-N 0 3 266.385 2.361 20 30 CEEDHN C[C@@H](NCC1(C)OCCCO1)c1ccc(OCC#N)cc1 ZINC000190654027 262184586 /nfs/dbraw/zinc/18/45/86/262184586.db2.gz HEUWERSKGSCASB-CYBMUJFWSA-N 0 3 290.363 2.393 20 30 CEEDHN CN(CCC#N)c1ccc(CNCCOCC(F)F)cc1 ZINC000190898620 262186865 /nfs/dbraw/zinc/18/68/65/262186865.db2.gz OUMMHOBGZCWCFK-UHFFFAOYSA-N 0 3 297.349 2.408 20 30 CEEDHN C=CCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000038584913 262273520 /nfs/dbraw/zinc/27/35/20/262273520.db2.gz XSQQNCWHMJVNSA-UHFFFAOYSA-N 0 3 293.436 2.445 20 30 CEEDHN C=CC[C@H](CC)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000354780471 262284653 /nfs/dbraw/zinc/28/46/53/262284653.db2.gz GXABKSWCVQZPFR-UONOGXRCSA-N 0 3 257.337 2.029 20 30 CEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000410573773 262622172 /nfs/dbraw/zinc/62/21/72/262622172.db2.gz LLBOAYKAPYBGDE-KYJSFNMBSA-N 0 3 297.402 2.269 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000339530963 262651571 /nfs/dbraw/zinc/65/15/71/262651571.db2.gz PTMRULIJVSCKCO-OLZOCXBDSA-N 0 3 282.347 2.268 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@](C)(O)C(C)C)C(C)C ZINC000353312716 262681457 /nfs/dbraw/zinc/68/14/57/262681457.db2.gz KAEITBAZXDKZHO-WBVHZDCISA-N 0 3 296.455 2.208 20 30 CEEDHN C[C@H]1CCC[C@H](CO)N1Cc1ccc(OCC#N)cc1 ZINC000272679523 263008157 /nfs/dbraw/zinc/00/81/57/263008157.db2.gz RPECIAVEYMAGLY-DZGCQCFKSA-N 0 3 274.364 2.324 20 30 CEEDHN C[C@H]1CCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280256221 263060125 /nfs/dbraw/zinc/06/01/25/263060125.db2.gz CDVQIXQBYISGTD-SWLSCSKDSA-N 0 3 267.332 2.251 20 30 CEEDHN C=CC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280831100 263064634 /nfs/dbraw/zinc/06/46/34/263064634.db2.gz IOIJQLALJKTCHS-IUODEOHRSA-N 0 3 267.332 2.321 20 30 CEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCS1 ZINC000281033825 263065990 /nfs/dbraw/zinc/06/59/90/263065990.db2.gz WQXYLJLTCZADNZ-IUODEOHRSA-N 0 3 299.399 2.204 20 30 CEEDHN C#Cc1ccc(CN2CCC(NC(=O)C(C)C)CC2)cc1 ZINC000289190066 263108217 /nfs/dbraw/zinc/10/82/17/263108217.db2.gz UGDZMRMKZXCBBO-UHFFFAOYSA-N 0 3 284.403 2.405 20 30 CEEDHN C#C[C@@H](C)NCc1c[nH]nc1-c1ccc(OC)cc1 ZINC000289316203 263109008 /nfs/dbraw/zinc/10/90/08/263109008.db2.gz FHJHSQZHMSZLAD-LLVKDONJSA-N 0 3 255.321 2.197 20 30 CEEDHN CN(C)[C@H](CNC(=O)CCCC#N)c1ccccc1 ZINC000290939854 263119457 /nfs/dbraw/zinc/11/94/57/263119457.db2.gz KPTIITYHXDIXMM-CQSZACIVSA-N 0 3 259.353 2.099 20 30 CEEDHN CCN(C[C@H](C)OC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000291178259 263120707 /nfs/dbraw/zinc/12/07/07/263120707.db2.gz FHQKPICXFKSLGH-BBRMVZONSA-N 0 3 299.374 2.124 20 30 CEEDHN CCc1ccc([C@@H](C#N)NC(=O)CN(C)C(C)C)cc1 ZINC000293176648 263138523 /nfs/dbraw/zinc/13/85/23/263138523.db2.gz CWZDMVKBJKFWLS-OAHLLOKOSA-N 0 3 273.380 2.270 20 30 CEEDHN COC1CC(N(C)C(=O)C(C#N)CCc2ccccc2)C1 ZINC000340926732 263312707 /nfs/dbraw/zinc/31/27/07/263312707.db2.gz RJWDUIPELDQTEL-FHERZECASA-N 0 3 286.375 2.395 20 30 CEEDHN CC#CCN(C)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000341091166 263321925 /nfs/dbraw/zinc/32/19/25/263321925.db2.gz RZJWMDWLJTTZLG-OAHLLOKOSA-N 0 3 262.397 2.265 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H]1CCCN1CC ZINC000341502201 263339710 /nfs/dbraw/zinc/33/97/10/263339710.db2.gz VLJJNTHODLIWOF-OLZOCXBDSA-N 0 3 253.390 2.125 20 30 CEEDHN C=C(C)CCNC(=O)N[C@H](C)CN1CCCCC1 ZINC000454610439 263347187 /nfs/dbraw/zinc/34/71/87/263347187.db2.gz GQXVXZBFWBAAIN-CYBMUJFWSA-N 0 3 253.390 2.126 20 30 CEEDHN C=CC[C@H](CO)CN[C@@H](C)c1nc2ccccc2n1C ZINC000341891104 263364092 /nfs/dbraw/zinc/36/40/92/263364092.db2.gz UZYQHFWUVGVBDN-STQMWFEESA-N 0 3 273.380 2.409 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000342007260 263377069 /nfs/dbraw/zinc/37/70/69/263377069.db2.gz GSDVTAXJOSJEMC-GXTWGEPZSA-N 0 3 250.386 2.284 20 30 CEEDHN CC(C)CNC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000416401637 263708580 /nfs/dbraw/zinc/70/85/80/263708580.db2.gz UXFIVPFHCPSYML-SNVBAGLBSA-N 0 3 285.269 2.480 20 30 CEEDHN Cc1ccc(N(C)C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)nn1 ZINC000328718347 263839432 /nfs/dbraw/zinc/83/94/32/263839432.db2.gz FTZFMAYXYKEYDC-GDBMZVCRSA-N 0 3 299.422 2.378 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC000330681311 264002735 /nfs/dbraw/zinc/00/27/35/264002735.db2.gz ZUTGDCZMNQQFFU-LBPRGKRZSA-N 0 3 293.415 2.212 20 30 CEEDHN COC(C)(C)C[C@H](C)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000330764651 264032787 /nfs/dbraw/zinc/03/27/87/264032787.db2.gz JKEHLILXDUGFQM-QWHCGFSZSA-N 0 3 297.443 2.344 20 30 CEEDHN COc1ccc(OC)c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000330894508 264077451 /nfs/dbraw/zinc/07/74/51/264077451.db2.gz FKQZMBLBFXLUOI-NWDGAFQWSA-N 0 3 292.379 2.491 20 30 CEEDHN COC(=O)c1cccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000330899520 264079186 /nfs/dbraw/zinc/07/91/86/264079186.db2.gz JIAMGSFXTYYLCS-SMDDNHRTSA-N 0 3 290.363 2.261 20 30 CEEDHN C[C@@H]1COCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000330940867 264083546 /nfs/dbraw/zinc/08/35/46/264083546.db2.gz CQGPCLXHTIAZPJ-HIFRSBDPSA-N 0 3 272.348 2.006 20 30 CEEDHN COc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000330916989 264093103 /nfs/dbraw/zinc/09/31/03/264093103.db2.gz VVNLCIICMRKQHZ-WCQYABFASA-N 0 3 292.379 2.491 20 30 CEEDHN CCc1ocnc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000330926916 264095221 /nfs/dbraw/zinc/09/52/21/264095221.db2.gz JKMFUFZQOLPHOF-WDEREUQCSA-N 0 3 265.357 2.270 20 30 CEEDHN CCN1CCC(NC(=O)NC[C@@H](OC)C(C)(C)C)CC1 ZINC000330933834 264097341 /nfs/dbraw/zinc/09/73/41/264097341.db2.gz FSROFFZUMFEWSA-CYBMUJFWSA-N 0 3 285.432 2.035 20 30 CEEDHN CCC(=O)N[C@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000330982819 264103402 /nfs/dbraw/zinc/10/34/02/264103402.db2.gz HPBFCIGVJHZZBN-ZDUSSCGKSA-N 0 3 265.401 2.307 20 30 CEEDHN CCC(O)(CC)CCNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000331004938 264105796 /nfs/dbraw/zinc/10/57/96/264105796.db2.gz PFDOEHNWEHCCJO-ZIAGYGMSSA-N 0 3 299.459 2.114 20 30 CEEDHN CC1(C)[C@@H](O)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000331149334 264138464 /nfs/dbraw/zinc/13/84/64/264138464.db2.gz JAYQWHRTJIIAKS-CABCVRRESA-N 0 3 286.375 2.131 20 30 CEEDHN C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000331241186 264177233 /nfs/dbraw/zinc/17/72/33/264177233.db2.gz QBTMCTXPJSQVCT-JTQLQIEISA-N 0 3 292.379 2.360 20 30 CEEDHN C[C@]1(O)CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000331315105 264187940 /nfs/dbraw/zinc/18/79/40/264187940.db2.gz IWXGJVGNMGXXEW-RDJZCZTQSA-N 0 3 286.375 2.132 20 30 CEEDHN Cc1cc(C)cc(C(=O)NC[C@H]2CCCCN2CCO)c1 ZINC000331329434 264191307 /nfs/dbraw/zinc/19/13/07/264191307.db2.gz NZAPUJCWJMKQLL-MRXNPFEDSA-N 0 3 290.407 2.455 20 30 CEEDHN CO[C@@H](CN1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000425383742 264219705 /nfs/dbraw/zinc/21/97/05/264219705.db2.gz LLMMQKUJEZTQAY-SFHVURJKSA-N 0 3 299.418 2.101 20 30 CEEDHN C=CCCC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000070928267 264243548 /nfs/dbraw/zinc/24/35/48/264243548.db2.gz RJFAERJILASZRK-UHFFFAOYSA-N 0 3 273.380 2.380 20 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20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](CCCO)C2)s1 ZINC000449789853 268222846 /nfs/dbraw/zinc/22/28/46/268222846.db2.gz IPBAHOVTBJZHKQ-NSHDSACASA-N 0 3 250.367 2.214 20 30 CEEDHN N#Cc1ccc(CNCC[C@H](O)C(F)(F)F)cc1F ZINC000421355194 268233429 /nfs/dbraw/zinc/23/34/29/268233429.db2.gz ISJBSOLSSGMFRP-NSHDSACASA-N 0 3 276.233 2.100 20 30 CEEDHN N#Cc1ccc([C@@H](NC2CCC3(CC3)CC2)C(N)=O)cc1 ZINC000517550519 268262780 /nfs/dbraw/zinc/26/27/80/268262780.db2.gz ZBNYFCLZRMVQSA-OAHLLOKOSA-N 0 3 283.375 2.397 20 30 CEEDHN N#Cc1cccc(/C=C\C(=O)NC2CCN(C3CC3)CC2)c1 ZINC000491091347 268268073 /nfs/dbraw/zinc/26/80/73/268268073.db2.gz IBTBRUPHEDHWJU-DAXSKMNVSA-N 0 3 295.386 2.314 20 30 CEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCCC[C@H]1F ZINC000530233515 268297894 /nfs/dbraw/zinc/29/78/94/268297894.db2.gz QFCZHJOTRSPXNH-RRFJBIMHSA-N 0 3 292.354 2.168 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2C[C@@H]3OCCC[C@H]23)c(F)c1 ZINC000427700231 271237789 /nfs/dbraw/zinc/23/77/89/271237789.db2.gz YZKOGSBXXUOUMK-YUELXQCFSA-N 0 3 260.312 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/nfs/dbraw/zinc/00/91/11/329009111.db2.gz NDBPDYCSTBXVMO-UONOGXRCSA-N 0 3 292.427 2.052 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](C3CC3)C2)CC1 ZINC000377364504 329012669 /nfs/dbraw/zinc/01/26/69/329012669.db2.gz VHYLBRFOYAABOZ-HNNXBMFYSA-N 0 3 291.439 2.468 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)NCCCCC#N ZINC000172152958 329081866 /nfs/dbraw/zinc/08/18/66/329081866.db2.gz GMNWHNRMYKSSET-CQSZACIVSA-N 0 3 280.416 2.244 20 30 CEEDHN C=C(C)CN(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000181291517 329229899 /nfs/dbraw/zinc/22/98/99/329229899.db2.gz HYEJORMCJFXXCM-UHFFFAOYSA-N 0 3 280.324 2.490 20 30 CEEDHN CC#CCNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418356197 329251929 /nfs/dbraw/zinc/25/19/29/329251929.db2.gz PRRUISWRSCPHQZ-HNNXBMFYSA-N 0 3 273.380 2.132 20 30 CEEDHN CC(C)[C@@H]1C[C@@H](CNC[C@@H](C#N)CCC#N)CCO1 ZINC000582954301 329293454 /nfs/dbraw/zinc/29/34/54/329293454.db2.gz LZIGZTVOGYGNJC-ZNMIVQPWSA-N 0 3 263.385 2.471 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000583010244 329302147 /nfs/dbraw/zinc/30/21/47/329302147.db2.gz ZIUNWJMBWHICSD-CABCVRRESA-N 0 3 297.358 2.282 20 30 CEEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)C(=O)NCc1ccccc1 ZINC000185795318 329332057 /nfs/dbraw/zinc/33/20/57/329332057.db2.gz PMUDWNNJOZXUEM-KBMXLJTQSA-N 0 3 285.391 2.363 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(-n3cncn3)cc2)C1 ZINC000185850258 329333459 /nfs/dbraw/zinc/33/34/59/329333459.db2.gz ACKLLWZYEGYWPF-LSDHHAIUSA-N 0 3 281.363 2.439 20 30 CEEDHN CC(C)(C)N1C[C@H](N[C@H]2CCC[C@H](C#N)C2)CC1=O ZINC000185852887 329333571 /nfs/dbraw/zinc/33/35/71/329333571.db2.gz AWJUKZDBFJMIDI-RWMBFGLXSA-N 0 3 263.385 2.058 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000186300394 329341363 /nfs/dbraw/zinc/34/13/63/329341363.db2.gz UBHZYZFVKYWSDB-HUUCEWRRSA-N 0 3 282.428 2.348 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000187343716 329355482 /nfs/dbraw/zinc/35/54/82/329355482.db2.gz GHDSMCXXGFSOGH-BFYDXBDKSA-N 0 3 271.360 2.356 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000187343752 329355606 /nfs/dbraw/zinc/35/56/06/329355606.db2.gz GHDSMCXXGFSOGH-INMHGKMJSA-N 0 3 271.360 2.356 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CCC1 ZINC000189185835 329376754 /nfs/dbraw/zinc/37/67/54/329376754.db2.gz FRIDXAYOWKVZFY-OLZOCXBDSA-N 0 3 262.397 2.474 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccccc1SC ZINC000392826079 329388159 /nfs/dbraw/zinc/38/81/59/329388159.db2.gz LJWRPGRLHNTFES-UHFFFAOYSA-N 0 3 276.405 2.093 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCC1CCCC1 ZINC000392840995 329390927 /nfs/dbraw/zinc/39/09/27/329390927.db2.gz PFPLLVNTMLHKFV-UHFFFAOYSA-N 0 3 250.386 2.028 20 30 CEEDHN CCCN(CCCCC(C)(C)C#N)CC(=O)NC ZINC000233041858 329393054 /nfs/dbraw/zinc/39/30/54/329393054.db2.gz SEDFLHYJIOSSOC-UHFFFAOYSA-N 0 3 253.390 2.164 20 30 CEEDHN COC1([C@@H](C)NCC#Cc2ccc(F)cc2)CCOCC1 ZINC000421031993 329802634 /nfs/dbraw/zinc/80/26/34/329802634.db2.gz LBXZZSGSJUUJTE-CQSZACIVSA-N 0 3 291.366 2.351 20 30 CEEDHN N=C(NCCOC(F)(F)F)Nc1cc(F)ccc1F ZINC000262246553 330002658 /nfs/dbraw/zinc/00/26/58/330002658.db2.gz CJJUSSPJAGOBIC-UHFFFAOYSA-N 0 3 283.200 2.228 20 30 CEEDHN CC(C#N)C(=O)N1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000421927617 330109872 /nfs/dbraw/zinc/10/98/72/330109872.db2.gz SAPDQJXKFYTDON-GRYCIOLGSA-N 0 3 280.368 2.115 20 30 CEEDHN CC[C@@H](O)CNCc1ccc(OC)c(OCCCC#N)c1 ZINC000422084003 330120512 /nfs/dbraw/zinc/12/05/12/330120512.db2.gz JUJYULDBDVJJTB-CQSZACIVSA-N 0 3 292.379 2.238 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCc1ccccc1C(F)(F)F ZINC000424082935 330222454 /nfs/dbraw/zinc/22/24/54/330222454.db2.gz MCKRFQNVALTVSG-GFCCVEGCSA-N 0 3 299.296 2.343 20 30 CEEDHN C=CCC1(C(=O)NC[C@@H](N)c2ccccc2)CCOCC1 ZINC000424084589 330222695 /nfs/dbraw/zinc/22/26/95/330222695.db2.gz YSMULLIWNNMBPM-OAHLLOKOSA-N 0 3 288.391 2.176 20 30 CEEDHN CC(C)(NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424086201 330223559 /nfs/dbraw/zinc/22/35/59/330223559.db2.gz QEEDTAONBWNRJB-CYBMUJFWSA-N 0 3 259.353 2.059 20 30 CEEDHN CC(C)C[C@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424081971 330223615 /nfs/dbraw/zinc/22/36/15/330223615.db2.gz AWANTHIJWUROFL-OLZOCXBDSA-N 0 3 251.374 2.045 20 30 CEEDHN CCc1nc2cc(NC(=O)[C@H](N)CCCC#N)ccc2o1 ZINC000424090655 330224906 /nfs/dbraw/zinc/22/49/06/330224906.db2.gz MNWIQKCOPOWYIG-LLVKDONJSA-N 0 3 286.335 2.350 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000424094001 330226296 /nfs/dbraw/zinc/22/62/96/330226296.db2.gz TUKBILBAVPOZFN-QWHCGFSZSA-N 0 3 277.393 2.433 20 30 CEEDHN CCOc1cccc([C@H](C)NC(=O)[C@H](N)CCCC#N)c1 ZINC000424096187 330227261 /nfs/dbraw/zinc/22/72/61/330227261.db2.gz BMQQSAIIOUQTCN-SWLSCSKDSA-N 0 3 289.379 2.284 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)[C@H](N)CCCC#N ZINC000424097486 330227677 /nfs/dbraw/zinc/22/76/77/330227677.db2.gz FHEAJBHPUJNBBQ-OAHLLOKOSA-N 0 3 289.354 2.361 20 30 CEEDHN CC(C)CN(C(=O)[C@H](N)CCCC#N)C1CCCC1 ZINC000424098730 330230605 /nfs/dbraw/zinc/23/06/05/330230605.db2.gz UAVDWZLZIXTITI-CQSZACIVSA-N 0 3 265.401 2.435 20 30 CEEDHN CCCC1CCC(NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424101437 330233420 /nfs/dbraw/zinc/23/34/20/330233420.db2.gz JTMKKPKWLPPPIN-RUXDESIVSA-N 0 3 265.401 2.483 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCCc2cc(F)ccc21 ZINC000424106610 330234635 /nfs/dbraw/zinc/23/46/35/330234635.db2.gz XQEYHEPBVMZTQP-ZDUSSCGKSA-N 0 3 275.327 2.126 20 30 CEEDHN C=CCCC1(C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000527243177 330239998 /nfs/dbraw/zinc/23/99/98/330239998.db2.gz ZDJCQOUYVSXIOU-AWEZNQCLSA-N 0 3 262.397 2.430 20 30 CEEDHN Cc1ccccc1[C@@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424114337 330242950 /nfs/dbraw/zinc/24/29/50/330242950.db2.gz QMGVDUGKMANFEA-ZBFHGGJFSA-N 0 3 285.391 2.332 20 30 CEEDHN Cc1ccccc1C(C)(C)CNC(=O)[C@@H](N)CCCC#N ZINC000424115829 330243358 /nfs/dbraw/zinc/24/33/58/330243358.db2.gz WCZIUAVNKNACDD-HNNXBMFYSA-N 0 3 287.407 2.410 20 30 CEEDHN CCC1(C)CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424117109 330243728 /nfs/dbraw/zinc/24/37/28/330243728.db2.gz YFQCTKJCHNIHAE-LBPRGKRZSA-N 0 3 251.374 2.046 20 30 CEEDHN CCCC[C@@H](CCC)NC(=O)[C@H](N)CCCC#N ZINC000424120625 330249447 /nfs/dbraw/zinc/24/94/47/330249447.db2.gz HMEUFIHWOOFKDD-CHWSQXEVSA-N 0 3 253.390 2.483 20 30 CEEDHN CN(Cc1cc2ccccc2o1)C(=O)[C@H](N)CCCC#N ZINC000424123058 330255042 /nfs/dbraw/zinc/25/50/42/330255042.db2.gz JTRIJEJRYKFNKJ-CQSZACIVSA-N 0 3 285.347 2.412 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccccc1OCC(F)F ZINC000424124979 330257739 /nfs/dbraw/zinc/25/77/39/330257739.db2.gz PUQLHXHQKWVKOR-SNVBAGLBSA-N 0 3 297.305 2.290 20 30 CEEDHN Cc1cccc([C@H](C)CNC(=O)[C@H](N)CCCC#N)c1 ZINC000424125586 330258731 /nfs/dbraw/zinc/25/87/31/330258731.db2.gz OCZUNFXSAUMMNA-UKRRQHHQSA-N 0 3 273.380 2.236 20 30 CEEDHN CC[C@H]1CCCCCN1C(=O)[C@@H](N)CCCC#N ZINC000424126507 330258947 /nfs/dbraw/zinc/25/89/47/330258947.db2.gz OUOHRNBTXJEQEM-STQMWFEESA-N 0 3 251.374 2.189 20 30 CEEDHN CCCCO[C@@H]1C[C@H](NC(=O)[C@@H](N)CCCC#N)C1(C)C ZINC000424148361 330295107 /nfs/dbraw/zinc/29/51/07/330295107.db2.gz FGFXQSSLWLJDTR-MELADBBJSA-N 0 3 295.427 2.108 20 30 CEEDHN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000424176697 330315315 /nfs/dbraw/zinc/31/53/15/330315315.db2.gz SLXKVQLPTAUCJN-DAXOMENPSA-N 0 3 285.391 2.447 20 30 CEEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCC#N)[C@H]2CCCC[C@H]12 ZINC000424181007 330319132 /nfs/dbraw/zinc/31/91/32/330319132.db2.gz QJVWCGFUPPSXKX-SYQHCUMBSA-N 0 3 263.385 2.045 20 30 CEEDHN CC[C@@H](c1ccncc1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424185345 330320788 /nfs/dbraw/zinc/32/07/88/330320788.db2.gz ZGVAMZSIBUQTLM-KBPBESRZSA-N 0 3 274.368 2.012 20 30 CEEDHN CCC(=O)c1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424187394 330320875 /nfs/dbraw/zinc/32/08/75/330320875.db2.gz IPOZFUVLIJULBR-ZDUSSCGKSA-N 0 3 273.336 2.239 20 30 CEEDHN CC(C#N)C(=O)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000548642206 330322465 /nfs/dbraw/zinc/32/24/65/330322465.db2.gz AEQCFFSTNCSVDL-ZANVPECISA-N 0 3 280.274 2.024 20 30 CEEDHN C=CCOc1ccccc1CNCCC(=O)NCCC ZINC000044351545 330329322 /nfs/dbraw/zinc/32/93/22/330329322.db2.gz MSNDHSSKAYYWJQ-UHFFFAOYSA-N 0 3 276.380 2.257 20 30 CEEDHN C=CCn1cc(CN[C@@H]2CCc3c(cccc3OC)C2)nn1 ZINC000424289665 330334436 /nfs/dbraw/zinc/33/44/36/330334436.db2.gz AAUXLHMYNFBUNJ-CQSZACIVSA-N 0 3 298.390 2.120 20 30 CEEDHN N#C[C@H](CCc1ccccc1)C(=O)NCCN1CCCCC1 ZINC000433235625 330620855 /nfs/dbraw/zinc/62/08/55/330620855.db2.gz WTICGVVOLDLRFX-KRWDZBQOSA-N 0 3 299.418 2.361 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CO[C@@H](C)C1)C(C)C ZINC000439270282 330736119 /nfs/dbraw/zinc/73/61/19/330736119.db2.gz HPYFRKCHAQJUBS-HRCADAONSA-N 0 3 294.439 2.226 20 30 CEEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)C(=O)N1Cc2ccccc2C1 ZINC000442848842 330786651 /nfs/dbraw/zinc/78/66/51/330786651.db2.gz AXNGNENDPAQUGQ-WOSRLPQWSA-N 0 3 283.375 2.199 20 30 CEEDHN C=CCOc1ccc(CN2CCC(CO)(OC)CC2)cc1 ZINC000447063434 330860410 /nfs/dbraw/zinc/86/04/10/330860410.db2.gz MDBZONSRZLMSNS-UHFFFAOYSA-N 0 3 291.391 2.225 20 30 CEEDHN C=CCN(CCOC)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450835818 331001888 /nfs/dbraw/zinc/00/18/88/331001888.db2.gz HZPQXLCCWYEYFE-HOCLYGCPSA-N 0 3 263.381 2.285 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CF)CC1 ZINC000451389646 331026916 /nfs/dbraw/zinc/02/69/16/331026916.db2.gz VTONVBICQPCGLE-CYBMUJFWSA-N 0 3 270.392 2.481 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000451596697 331035613 /nfs/dbraw/zinc/03/56/13/331035613.db2.gz GWSLHNXPRLDWRK-ZQNQSHIBSA-N 0 3 280.412 2.098 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCCC[C@@H]1CC ZINC000451682121 331038941 /nfs/dbraw/zinc/03/89/41/331038941.db2.gz QCTWNMHFIIMIFH-ZNMIVQPWSA-N 0 3 280.412 2.101 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCCc2ccccc2CC1 ZINC000451707439 331039787 /nfs/dbraw/zinc/03/97/87/331039787.db2.gz GIUZVARKKMGXOX-UHFFFAOYSA-N 0 3 299.418 2.239 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@]2(CCOC2)C1 ZINC000451898895 331046603 /nfs/dbraw/zinc/04/66/03/331046603.db2.gz JUEOYTKFFLMNDE-RDJZCZTQSA-N 0 3 292.423 2.078 20 30 CEEDHN CCN(C(=O)C(C#N)CCc1ccccc1)C1COC1 ZINC000452979516 331082530 /nfs/dbraw/zinc/08/25/30/331082530.db2.gz UAMKSWGKUWCIGI-CQSZACIVSA-N 0 3 272.348 2.006 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCCc2nn(C)cc21 ZINC000453332429 331117854 /nfs/dbraw/zinc/11/78/54/331117854.db2.gz CIEQQOFXUHSSQE-YUELXQCFSA-N 0 3 261.369 2.121 20 30 CEEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(OC)ncc1F ZINC000453358433 331122053 /nfs/dbraw/zinc/12/20/53/331122053.db2.gz ODLPSXXLSQEVML-MNOVXSKESA-N 0 3 268.332 2.207 20 30 CEEDHN C=CC(C)(C)CNC(=O)NCCN(C)CCCC ZINC000454635751 331150263 /nfs/dbraw/zinc/15/02/63/331150263.db2.gz XSMHLRFXEYTURW-UHFFFAOYSA-N 0 3 255.406 2.230 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCCC(C)(F)F)CC1 ZINC000454462203 331146716 /nfs/dbraw/zinc/14/67/16/331146716.db2.gz KFCXCLQUDNSZSB-UHFFFAOYSA-N 0 3 289.370 2.371 20 30 CEEDHN C=C(CC)CNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000454640534 331150220 /nfs/dbraw/zinc/15/02/20/331150220.db2.gz KJJWPSOSIUAASY-AWEZNQCLSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(C)CC1CCN(C)CC1 ZINC000455362650 331167130 /nfs/dbraw/zinc/16/71/30/331167130.db2.gz GRBGWZUAMVKQCR-UHFFFAOYSA-N 0 3 267.417 2.182 20 30 CEEDHN C[C@H](N(C)C(=O)C(C#N)CCc1ccccc1)C(C)(C)O ZINC000456087537 331184096 /nfs/dbraw/zinc/18/40/96/331184096.db2.gz OEYGXVOZJMNAOF-ZFWWWQNUSA-N 0 3 288.391 2.377 20 30 CEEDHN CO[C@H](C)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000456130562 331185185 /nfs/dbraw/zinc/18/51/85/331185185.db2.gz COWWSGSERIDBKY-HIFRSBDPSA-N 0 3 274.364 2.300 20 30 CEEDHN C[C@@H]1CC[C@H](CNC(=O)C(C#N)CCc2ccccc2)O1 ZINC000457360971 331219974 /nfs/dbraw/zinc/21/99/74/331219974.db2.gz KJSSABQGFCXXPT-FVQBIDKESA-N 0 3 286.375 2.443 20 30 CEEDHN CN(C(=O)C1CN(C2CCCCC2)C1)C1(C#N)CCC1 ZINC000457483474 331224385 /nfs/dbraw/zinc/22/43/85/331224385.db2.gz UUDNMLWYBRMZAZ-UHFFFAOYSA-N 0 3 275.396 2.156 20 30 CEEDHN CC#CCN(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000457703370 331231745 /nfs/dbraw/zinc/23/17/45/331231745.db2.gz FKMLCSLFDAVEOZ-UHFFFAOYSA-N 0 3 299.418 2.100 20 30 CEEDHN CC[C@@H](C(=O)NCC(C)(C)CC#N)N(CC)CC ZINC000457990815 331239408 /nfs/dbraw/zinc/23/94/08/331239408.db2.gz HXRMRLAXLAVFHD-LBPRGKRZSA-N 0 3 253.390 2.163 20 30 CEEDHN CC(C)(CC#N)CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000457994180 331239799 /nfs/dbraw/zinc/23/97/99/331239799.db2.gz OBTNVQRBQXKEIT-CQSZACIVSA-N 0 3 277.412 2.449 20 30 CEEDHN CC(C)(CC#N)CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000457994176 331239841 /nfs/dbraw/zinc/23/98/41/331239841.db2.gz OBTNVQRBQXKEIT-AWEZNQCLSA-N 0 3 277.412 2.449 20 30 CEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)N(C)C[C@@H](C)C#N ZINC000458936255 331263118 /nfs/dbraw/zinc/26/31/18/331263118.db2.gz MXJDXWXXQACVCQ-GJZGRUSLSA-N 0 3 294.443 2.298 20 30 CEEDHN C=C(C)CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000458993017 331264933 /nfs/dbraw/zinc/26/49/33/331264933.db2.gz DZGQSCFCHADNMW-RRFJBIMHSA-N 0 3 279.428 2.324 20 30 CEEDHN COCCN(CCCCC#N)Cc1c(C)nn(C)c1C ZINC000459573061 331288668 /nfs/dbraw/zinc/28/86/68/331288668.db2.gz RGZDPVPMIXHWFH-UHFFFAOYSA-N 0 3 278.400 2.179 20 30 CEEDHN C[C@H]1[C@@H](CO)CCN1CC#Cc1cccc(Cl)c1 ZINC000488761092 332024501 /nfs/dbraw/zinc/02/45/01/332024501.db2.gz NIEOXYXBKSJKQM-GXTWGEPZSA-N 0 3 263.768 2.394 20 30 CEEDHN C=CCn1cccc1C(=O)N1CCCN(C(C)C)CC1 ZINC000488841458 332028622 /nfs/dbraw/zinc/02/86/22/332028622.db2.gz IXBNXIXWIQHMFH-UHFFFAOYSA-N 0 3 275.396 2.230 20 30 CEEDHN C=CCn1cccc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000489073601 332040580 /nfs/dbraw/zinc/04/05/80/332040580.db2.gz LTXJATKCHDGCST-OAHLLOKOSA-N 0 3 287.407 2.375 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1ccccc1OC(C)C ZINC000491166524 332160019 /nfs/dbraw/zinc/16/00/19/332160019.db2.gz SAKMFQXUNCUVCC-CQSZACIVSA-N 0 3 288.391 2.264 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1sc(CCC)nc1C ZINC000491348029 332193995 /nfs/dbraw/zinc/19/39/95/332193995.db2.gz BKNQMFSVIMEPKU-UHFFFAOYSA-N 0 3 293.436 2.089 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000491349299 332194553 /nfs/dbraw/zinc/19/45/53/332194553.db2.gz HVQPGBLLCLGVEY-KRWDZBQOSA-N 0 3 297.402 2.145 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000491427696 332209830 /nfs/dbraw/zinc/20/98/30/332209830.db2.gz LQJUXLIBENQPNO-WBVHZDCISA-N 0 3 296.414 2.394 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000491440557 332211939 /nfs/dbraw/zinc/21/19/39/332211939.db2.gz PLUGCYDSJMTMGC-NVXWUHKLSA-N 0 3 299.418 2.172 20 30 CEEDHN C#C[C@H](NC(=O)CCN1CCc2ccccc2C1)C(C)C ZINC000491440747 332212230 /nfs/dbraw/zinc/21/22/30/332212230.db2.gz RCWUSQOPAVCKMD-KRWDZBQOSA-N 0 3 284.403 2.209 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000491452551 332214028 /nfs/dbraw/zinc/21/40/28/332214028.db2.gz LPPQVMJJEHGUQP-WBVHZDCISA-N 0 3 291.439 2.163 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000491452548 332214148 /nfs/dbraw/zinc/21/41/48/332214148.db2.gz LPPQVMJJEHGUQP-DOTOQJQBSA-N 0 3 291.439 2.163 20 30 CEEDHN C#CC(C)(C)N(C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000491641043 332260605 /nfs/dbraw/zinc/26/06/05/332260605.db2.gz ZTHSXBRZKGOBJS-LLVKDONJSA-N 0 3 254.374 2.243 20 30 CEEDHN C#CCN(C)CCCNC(=S)N[C@@H](C)c1ccccc1 ZINC000491709509 332301731 /nfs/dbraw/zinc/30/17/31/332301731.db2.gz PCJPFBKBXYUXHN-AWEZNQCLSA-N 0 3 289.448 2.167 20 30 CEEDHN C#CCN1CCC(C(=O)NC2(CC)CCCC2)CC1 ZINC000491714169 332304796 /nfs/dbraw/zinc/30/47/96/332304796.db2.gz MCRXFZNACNQMDJ-UHFFFAOYSA-N 0 3 262.397 2.171 20 30 CEEDHN C#CCN(C)CCCN[C@@H](c1ccc(F)cn1)C(C)C ZINC000491804539 332358510 /nfs/dbraw/zinc/35/85/10/332358510.db2.gz LTQGOVZILHZOSY-MRXNPFEDSA-N 0 3 277.387 2.463 20 30 CEEDHN C#CCN(Cc1ccccc1)C(=O)NCCN(CC)C1CC1 ZINC000491805374 332358775 /nfs/dbraw/zinc/35/87/75/332358775.db2.gz OGJHUHAOHMSIHO-UHFFFAOYSA-N 0 3 299.418 2.316 20 30 CEEDHN C#C[C@@H](NC(=O)N1CCCN(C(C)(C)C)CC1)C(C)C ZINC000491817692 332368130 /nfs/dbraw/zinc/36/81/30/332368130.db2.gz OSFXPWQOOANFIC-CQSZACIVSA-N 0 3 279.428 2.160 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C/c2ccc(O)cc2)CC1 ZINC000492597037 332405054 /nfs/dbraw/zinc/40/50/54/332405054.db2.gz ZDDDJVXGGBMBEY-RMKNXTFCSA-N 0 3 298.386 2.009 20 30 CEEDHN C[C@@H](CCNC(=O)OC(C)(C)C)NC[C@@H](C#N)CCC#N ZINC000496265104 332544299 /nfs/dbraw/zinc/54/42/99/332544299.db2.gz QHADFJCLHTYXBF-QWHCGFSZSA-N 0 3 294.399 2.323 20 30 CEEDHN C[C@@H]1Cc2cc(C(=O)C(C#N)c3ccncn3)ccc2O1 ZINC000516980989 333088744 /nfs/dbraw/zinc/08/87/44/333088744.db2.gz FOMYAJXRUBLQBN-ZWNOBZJWSA-N 0 3 279.299 2.290 20 30 CEEDHN N#CC1(c2ccccc2)CC(NCCOCC(F)F)C1 ZINC000231689284 333328112 /nfs/dbraw/zinc/32/81/12/333328112.db2.gz LIEIDHFSUWCNEJ-UHFFFAOYSA-N 0 3 280.318 2.482 20 30 CEEDHN C[C@H](N[C@@H]1CCOC1(C)C)C(=O)NC1CCCC1 ZINC000328669258 333535993 /nfs/dbraw/zinc/53/59/93/333535993.db2.gz LXJWJSGQSSABMM-CMPLNLGQSA-N 0 3 254.374 2.431 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000125416964 333566536 /nfs/dbraw/zinc/56/65/36/333566536.db2.gz HEYCXBYXGHBZFH-GHMZBOCLSA-N 0 3 296.317 2.077 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC[C@H](CC(C)C)C1 ZINC000074994406 334022186 /nfs/dbraw/zinc/02/21/86/334022186.db2.gz XEUWLIQXZKOQGU-CQSZACIVSA-N 0 3 265.401 2.117 20 30 CEEDHN N#CC(C(=O)c1ccnc(OC2CCC2)c1)c1ccncn1 ZINC000546859307 334052018 /nfs/dbraw/zinc/05/20/18/334052018.db2.gz CFIGJKXANUPHBO-CYBMUJFWSA-N 0 3 294.314 2.293 20 30 CEEDHN CCCN(CC#Cc1ccccc1Cl)CCO ZINC000134987966 334110789 /nfs/dbraw/zinc/11/07/89/334110789.db2.gz LCNBUZHQDQNFFZ-UHFFFAOYSA-N 0 3 251.757 2.396 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](C)C[C@H]1C ZINC000077320831 334102316 /nfs/dbraw/zinc/10/23/16/334102316.db2.gz PCALYKSJUGLOFP-ZIAGYGMSSA-N 0 3 250.386 2.307 20 30 CEEDHN CNC(=O)[C@@H](C)CN(C)CC#Cc1ccccc1Cl ZINC000135120878 334116604 /nfs/dbraw/zinc/11/66/04/334116604.db2.gz GXGJYWDPOUHDJE-LBPRGKRZSA-N 0 3 278.783 2.005 20 30 CEEDHN CC1CC(C#N)(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000548076050 334138578 /nfs/dbraw/zinc/13/85/78/334138578.db2.gz NWRMAVJXKHLXLY-UYJPIKCFSA-N 0 3 277.412 2.163 20 30 CEEDHN CC(C)C[C@H]1CCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000245499571 334198076 /nfs/dbraw/zinc/19/80/76/334198076.db2.gz YJHKOQSEGUAZIT-GDBMZVCRSA-N 0 3 279.428 2.409 20 30 CEEDHN C=C(C)Cn1c(CC)nnc1N1CCN(CC(C)C)CC1 ZINC000549669664 334201430 /nfs/dbraw/zinc/20/14/30/334201430.db2.gz JOFTVYKGGZXQNM-UHFFFAOYSA-N 0 3 291.443 2.195 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000179650700 335505959 /nfs/dbraw/zinc/50/59/59/335505959.db2.gz WXRYODWISFZQDA-ZDUSSCGKSA-N 0 3 293.415 2.311 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H](C)C2)CC1 ZINC000185386450 335951235 /nfs/dbraw/zinc/95/12/35/335951235.db2.gz HIYPYFQGMMATFR-AWEZNQCLSA-N 0 3 279.428 2.468 20 30 CEEDHN C[C@@H](c1ccncc1)N1CCC(NCCC#N)CC1 ZINC000581066934 336002947 /nfs/dbraw/zinc/00/29/47/336002947.db2.gz NZDYFFARCCWTDZ-ZDUSSCGKSA-N 0 3 258.369 2.110 20 30 CEEDHN C=C(C)CN(CC)C(=O)C1CCN(C2CC2)CC1 ZINC000195326379 336051705 /nfs/dbraw/zinc/05/17/05/336051705.db2.gz CRCBOOAWDXEVMJ-UHFFFAOYSA-N 0 3 250.386 2.285 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC12CC2 ZINC000581484640 336087431 /nfs/dbraw/zinc/08/74/31/336087431.db2.gz VYVJNISWVLLDGZ-ZIAGYGMSSA-N 0 3 254.333 2.428 20 30 CEEDHN C=C(C)COc1cc(CNC[C@@H](C)O)ccc1OC ZINC000057958586 500571906 /nfs/dbraw/zinc/57/19/06/500571906.db2.gz QQXVXHYWEPVHNJ-GFCCVEGCSA-N 0 3 265.353 2.121 20 30 CEEDHN C[C@@H](CNc1cncc(C#N)n1)N(C)Cc1ccccc1 ZINC000401320398 534095995 /nfs/dbraw/zinc/09/59/95/534095995.db2.gz IUZPJYDTLDCLOK-ZDUSSCGKSA-N 0 3 281.363 2.281 20 30 CEEDHN CC(C#N)C(=O)N(C)CCCOc1ccc(F)cc1 ZINC000347035901 534282057 /nfs/dbraw/zinc/28/20/57/534282057.db2.gz LPNPTNNCXKOZLL-LLVKDONJSA-N 0 3 264.300 2.213 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000049507318 518281749 /nfs/dbraw/zinc/28/17/49/518281749.db2.gz ZVEPLUQRSVCUQV-WDEREUQCSA-N 0 3 264.394 2.153 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(OC(F)F)cc1 ZINC000184283678 519117687 /nfs/dbraw/zinc/11/76/87/519117687.db2.gz BEQYEBWWPPQACO-LLVKDONJSA-N 0 3 257.280 2.315 20 30 CEEDHN CC(C)N1CC[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000049281855 519687931 /nfs/dbraw/zinc/68/79/31/519687931.db2.gz LFPZFPLQDLMXIT-GFCCVEGCSA-N 0 3 274.324 2.361 20 30 CEEDHN N#CC(C(=O)c1ccccc1-n1cccn1)c1ccncn1 ZINC000354468802 534741268 /nfs/dbraw/zinc/74/12/68/534741268.db2.gz PQTKADYPNFCLEA-ZDUSSCGKSA-N 0 3 289.298 2.152 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)C(C)C#N ZINC000347031524 526343457 /nfs/dbraw/zinc/34/34/57/526343457.db2.gz DZZCQWOCSGCIQD-LBPRGKRZSA-N 0 3 253.305 2.233 20 30 CEEDHN N#Cc1ccc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)cc1 ZINC000364960207 526611774 /nfs/dbraw/zinc/61/17/74/526611774.db2.gz DHZKCIOSDKHVQU-INIZCTEOSA-N 0 3 296.374 2.227 20 30 CEEDHN C=CCOCC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000354697889 526688812 /nfs/dbraw/zinc/68/88/12/526688812.db2.gz DKCAWGHFSKIONG-UHFFFAOYSA-N 0 3 282.428 2.160 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000067504242 526709887 /nfs/dbraw/zinc/70/98/87/526709887.db2.gz KYHPUNXFQHMDRL-OAHLLOKOSA-N 0 3 279.343 2.414 20 30 CEEDHN C=CCOCCCC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000347301495 526738126 /nfs/dbraw/zinc/73/81/26/526738126.db2.gz AAVORDHZFUNPRL-OAHLLOKOSA-N 0 3 280.412 2.102 20 30 CEEDHN C=CCOCCCN1CCN(C2CCCC2)CC1 ZINC000347963478 526755620 /nfs/dbraw/zinc/75/56/20/526755620.db2.gz JSHKHZZEDMVHCQ-UHFFFAOYSA-N 0 3 252.402 2.139 20 30 CEEDHN C=C(CNC(=O)N1CCN(C)CC[C@@H]1C)c1ccccc1 ZINC000335979682 526868229 /nfs/dbraw/zinc/86/82/29/526868229.db2.gz ZNQPSKPIKCZIST-HNNXBMFYSA-N 0 3 287.407 2.435 20 30 CEEDHN C=C(CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000353637983 526875011 /nfs/dbraw/zinc/87/50/11/526875011.db2.gz MGIOBBWKXFIPIJ-HOCLYGCPSA-N 0 3 287.407 2.482 20 30 CEEDHN C=CCOc1cccc(CN2CCN(C)C[C@H]2C)c1 ZINC000353599261 526900817 /nfs/dbraw/zinc/90/08/17/526900817.db2.gz WUTMSYZQLIEESJ-CQSZACIVSA-N 0 3 260.381 2.387 20 30 CEEDHN C=CCC(C)(C)CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000352539782 527012183 /nfs/dbraw/zinc/01/21/83/527012183.db2.gz CPMXTQNFLMCHQR-HNNXBMFYSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCCC1(C(=O)NC[C@H]2CCCN2CC)CC1 ZINC000353812683 527090670 /nfs/dbraw/zinc/09/06/70/527090670.db2.gz FWFPXYIGMYVCBV-CYBMUJFWSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCCCCNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000353308185 527147030 /nfs/dbraw/zinc/14/70/30/527147030.db2.gz AUUFOHVUYQJGOO-ZIAGYGMSSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCCCCNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000353338971 527147424 /nfs/dbraw/zinc/14/74/24/527147424.db2.gz VMRRUORCHWKWOX-UONOGXRCSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000347285430 527380796 /nfs/dbraw/zinc/38/07/96/527380796.db2.gz DIILMRFZJAFVNO-ZFWWWQNUSA-N 0 3 280.412 2.101 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C[C@H]1CCOC1)C(C)C ZINC000351980494 527644656 /nfs/dbraw/zinc/64/46/56/527644656.db2.gz CVOSNCRDEQWPDA-CVEARBPZSA-N 0 3 294.439 2.228 20 30 CEEDHN CCOc1ccc(CNC(=O)C(C)C#N)cc1F ZINC000347132726 528450930 /nfs/dbraw/zinc/45/09/30/528450930.db2.gz JTLXPETWLZWJRI-VIFPVBQESA-N 0 3 250.273 2.000 20 30 CEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(C)C#N ZINC000344936534 528939776 /nfs/dbraw/zinc/93/97/76/528939776.db2.gz RMUBIQNMBLPXTM-GFCCVEGCSA-N 0 3 255.321 2.455 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C[C@H](C)[C@@H]2CCCO2)CC1 ZINC000668369875 538894023 /nfs/dbraw/zinc/89/40/23/538894023.db2.gz HLYWHJXGCZCSLP-HOCLYGCPSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCN(C(=O)NCCN(CC)C1CC1)C1CCCCC1 ZINC000726279968 574425423 /nfs/dbraw/zinc/42/54/23/574425423.db2.gz MUBYKGQSEYROAS-UHFFFAOYSA-N 0 3 291.439 2.448 20 30 CEEDHN C#Cc1cccc(NC(=S)NC[C@@H]2CCCN2C)c1 ZINC000726480223 574426727 /nfs/dbraw/zinc/42/67/27/574426727.db2.gz NMDGEKUMFNNBGD-AWEZNQCLSA-N 0 3 273.405 2.049 20 30 CEEDHN CNC(=S)NN=C1CCCC[C@@H]1N1C[C@H](C)C[C@H](C)C1 ZINC000751516288 574469973 /nfs/dbraw/zinc/46/99/73/574469973.db2.gz HHSPGCBFRBTGND-SCRDCRAPSA-N 0 3 296.484 2.357 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCCCN2CCCC)nc1 ZINC000728865131 574472948 /nfs/dbraw/zinc/47/29/48/574472948.db2.gz YDBIVCBKYBNLEP-MRXNPFEDSA-N 0 3 299.418 2.447 20 30 CEEDHN C#Cc1ccc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)nc1 ZINC000730787807 574576583 /nfs/dbraw/zinc/57/65/83/574576583.db2.gz WHIUGBRUZKECQM-KBPBESRZSA-N 0 3 285.391 2.056 20 30 CEEDHN COc1ccc([C@H]2CCCCC2N=NC(=N)N)cc1F ZINC000732710985 574626873 /nfs/dbraw/zinc/62/68/73/574626873.db2.gz VZRRISNFTXKSCT-SNVBAGLBSA-N 0 3 278.331 2.331 20 30 CEEDHN C=CC[C@H](NC(=O)N1CCCN(C)CC1)c1ccncc1 ZINC000734680482 574726862 /nfs/dbraw/zinc/72/68/62/574726862.db2.gz SZUOQOAOFUTPER-HNNXBMFYSA-N 0 3 288.395 2.046 20 30 CEEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000735205469 574747482 /nfs/dbraw/zinc/74/74/82/574747482.db2.gz CAXYOLDKEFHFNU-ZPMKCOPCSA-N 0 3 257.293 2.085 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000736673345 574794390 /nfs/dbraw/zinc/79/43/90/574794390.db2.gz JBFYDBHAGKCXKU-GXTWGEPZSA-N 0 3 288.347 2.059 20 30 CEEDHN CCCCCCCN(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000740889214 574970886 /nfs/dbraw/zinc/97/08/86/574970886.db2.gz ZTFFDFFSUSOQSU-ZDUSSCGKSA-N 0 3 261.431 2.323 20 30 CEEDHN N#CC(C(=O)C=CC1CC1)C(=O)Nc1ccccc1 ZINC000744027874 575112426 /nfs/dbraw/zinc/11/24/26/575112426.db2.gz BZXNVIKLBNYALF-MMQHEFTJSA-N 0 3 254.289 2.300 20 30 CEEDHN N#CC(C(=O)CCC(F)(F)F)C(=O)NCc1ccccc1 ZINC000744026885 575112430 /nfs/dbraw/zinc/11/24/30/575112430.db2.gz APKLETIUIYIAEA-LLVKDONJSA-N 0 3 298.264 2.354 20 30 CEEDHN COc1ccc(NC(=O)C(C#N)C(=O)C=CC2CC2)cc1 ZINC000744032992 575112435 /nfs/dbraw/zinc/11/24/35/575112435.db2.gz KYHMSPVROHCAFC-DFGFTWQDSA-N 0 3 284.315 2.309 20 30 CEEDHN CC#CCOC(=O)C1CCN(c2cccc(Cl)c2)C1=O ZINC000745431553 575138154 /nfs/dbraw/zinc/13/81/54/575138154.db2.gz DWKKLOVZBAVYKH-CYBMUJFWSA-N 0 3 291.734 2.259 20 30 CEEDHN C#CCNC(=O)CN(CCc1ccc(F)cc1)CC(C)C ZINC000746160534 575150259 /nfs/dbraw/zinc/15/02/59/575150259.db2.gz ZMLHRYWGESZKOF-UHFFFAOYSA-N 0 3 290.382 2.076 20 30 CEEDHN CCN1CC[C@H](N(C)C(=O)C#Cc2ccccc2)C[C@H]1C ZINC000747401361 575170119 /nfs/dbraw/zinc/17/01/19/575170119.db2.gz ISYJEPHPSMKLJT-WBVHZDCISA-N 0 3 284.403 2.369 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000747837277 575175785 /nfs/dbraw/zinc/17/57/85/575175785.db2.gz FURLQCRBLAHDMV-AEFFLSMTSA-N 0 3 298.430 2.387 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000751501736 575290795 /nfs/dbraw/zinc/29/07/95/575290795.db2.gz ZPDWBDPLDLRRGN-APWZRJJASA-N 0 3 298.430 2.469 20 30 CEEDHN C#CCNC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000753133247 575320286 /nfs/dbraw/zinc/32/02/86/575320286.db2.gz NOAYOKWZAKLWFI-UHFFFAOYSA-N 0 3 291.439 2.162 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C2\CC[C@@H](C)C2)CC1 ZINC000753627735 575332970 /nfs/dbraw/zinc/33/29/70/575332970.db2.gz VWZHKWQPLCDCCR-SXWSKBOKSA-N 0 3 274.408 2.337 20 30 CEEDHN O=[N+]([O-])c1ccccc1C[C@H]1CCCC1=Nn1cnnc1 ZINC000753691673 575335334 /nfs/dbraw/zinc/33/53/34/575335334.db2.gz LWRFEFRIGPPJQB-LLVKDONJSA-N 0 3 285.307 2.433 20 30 CEEDHN C[C@@H]1CCC(=CC(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000753800784 575343033 /nfs/dbraw/zinc/34/30/33/575343033.db2.gz FYVIUVDBOCIXBD-YURTZEIPSA-N 0 3 283.331 2.475 20 30 CEEDHN C=C(C)COCC[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819722169 606778177 /nfs/dbraw/zinc/77/81/77/606778177.db2.gz AJTXOIKZTCFCDP-LBPRGKRZSA-N 0 3 287.367 2.110 20 30 CEEDHN C=C(C)COCC[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819722169 606778178 /nfs/dbraw/zinc/77/81/78/606778178.db2.gz AJTXOIKZTCFCDP-LBPRGKRZSA-N 0 3 287.367 2.110 20 30 CEEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1CC1 ZINC000819745583 606888661 /nfs/dbraw/zinc/88/86/61/606888661.db2.gz KWZNPDRFOVVEDF-UHFFFAOYSA-N 0 3 269.352 2.265 20 30 CEEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1CC1 ZINC000819745583 606888662 /nfs/dbraw/zinc/88/86/62/606888662.db2.gz KWZNPDRFOVVEDF-UHFFFAOYSA-N 0 3 269.352 2.265 20 30 CEEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1CC1 ZINC000819745583 606888663 /nfs/dbraw/zinc/88/86/63/606888663.db2.gz KWZNPDRFOVVEDF-UHFFFAOYSA-N 0 3 269.352 2.265 20 30 CEEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1CC1 ZINC000819745583 606888664 /nfs/dbraw/zinc/88/86/64/606888664.db2.gz KWZNPDRFOVVEDF-UHFFFAOYSA-N 0 3 269.352 2.265 20 30 CEEDHN C=CCCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000823894003 608363912 /nfs/dbraw/zinc/36/39/12/608363912.db2.gz DMPHLWDZOIBYAT-UHFFFAOYSA-N 0 3 287.367 2.273 20 30 CEEDHN C=CCCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000823894003 608363914 /nfs/dbraw/zinc/36/39/14/608363914.db2.gz DMPHLWDZOIBYAT-UHFFFAOYSA-N 0 3 287.367 2.273 20 30 CEEDHN C=CC[C@@H]1CCN1[C@H](C)C(=O)N(CC)CC(=C)C ZINC000934471730 624518496 /nfs/dbraw/zinc/51/84/96/624518496.db2.gz LTZKIBOOEBDYKX-ZIAGYGMSSA-N 0 3 250.386 2.450 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C3CC3)s2)C1 ZINC000970478057 612965344 /nfs/dbraw/zinc/96/53/44/612965344.db2.gz GWLUEUNYHZBFPN-GFCCVEGCSA-N 0 3 274.389 2.063 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](C)c2cccc(Cl)c2)C1 ZINC000970759169 612963452 /nfs/dbraw/zinc/96/34/52/612963452.db2.gz JEJQICIPOGEYRZ-IUODEOHRSA-N 0 3 290.794 2.267 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CC23CCCC3)C1 ZINC000970699276 612994387 /nfs/dbraw/zinc/99/43/87/612994387.db2.gz GTTVQPNKIAOIHE-UKRRQHHQSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc(C)sc2C)C1 ZINC000970081371 612994781 /nfs/dbraw/zinc/99/47/81/612994781.db2.gz 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/nfs/dbraw/zinc/01/32/39/613013239.db2.gz WQHJIUMLIYCNDY-WBVHZDCISA-N 0 3 284.403 2.135 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC000968485331 613013558 /nfs/dbraw/zinc/01/35/58/613013558.db2.gz ZLDBVIJDUWUPTK-DYVFJYSZSA-N 0 3 299.418 2.356 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC000964938702 613015538 /nfs/dbraw/zinc/01/55/38/613015538.db2.gz UCQAUQRZRLNKSJ-MLGOLLRUSA-N 0 3 288.391 2.360 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC000966381455 613024545 /nfs/dbraw/zinc/02/45/45/613024545.db2.gz BTIOJTMYWPXCPZ-SUMWQHHRSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C2CCCCC2)C(C)(C)C1 ZINC000972763020 613031218 /nfs/dbraw/zinc/03/12/18/613031218.db2.gz IIFPJRWKKUTOCK-OAHLLOKOSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(F)cc2)C(C)(C)C1 ZINC000972737069 613033085 /nfs/dbraw/zinc/03/30/85/613033085.db2.gz KYFLBPWXSMMQIR-OAHLLOKOSA-N 0 3 288.366 2.289 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)[C@@H]2CCC2(C)C)C(C)(C)C1 ZINC000974942389 613037591 /nfs/dbraw/zinc/03/75/91/613037591.db2.gz DRKLHBZFPALGPU-KBPBESRZSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cccc(C)c2)C(C)(C)C1 ZINC000972779592 613038639 /nfs/dbraw/zinc/03/86/39/613038639.db2.gz FCUCZCDTFNRLFG-INIZCTEOSA-N 0 3 284.403 2.459 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@H](C)C2CCC2)CC1 ZINC000948541145 613161878 /nfs/dbraw/zinc/16/18/78/613161878.db2.gz CONGBKFYVBJNIB-GOEBONIOSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2sccc2F)CC1 ZINC000948348829 613163903 /nfs/dbraw/zinc/16/39/03/613163903.db2.gz HIIXKPBMMYAAKX-GFCCVEGCSA-N 0 3 294.395 2.447 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)Cc2ccccc2)CC1 ZINC000948556701 613177729 /nfs/dbraw/zinc/17/77/29/613177729.db2.gz WSPOHTCCWLMYDF-KRWDZBQOSA-N 0 3 284.403 2.175 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)C(C)(C)C2CC2)CC1 ZINC000948697525 613177801 /nfs/dbraw/zinc/17/78/01/613177801.db2.gz NZJAWYIHOQMCTD-HNNXBMFYSA-N 0 3 276.424 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613293834 /nfs/dbraw/zinc/29/38/34/613293834.db2.gz YNINXCYDANCPQW-UOVPBQLFSA-N 0 3 288.435 2.082 20 30 CEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCc3cccnc32)C1 ZINC000970336261 613302108 /nfs/dbraw/zinc/30/21/08/613302108.db2.gz RUMDPIKWSQFBGS-BBRMVZONSA-N 0 3 299.418 2.124 20 30 CEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc[nH]c2CC)C1 ZINC000969598274 613303011 /nfs/dbraw/zinc/30/30/11/613303011.db2.gz GZUKDBHLIXERQO-LBPRGKRZSA-N 0 3 275.396 2.203 20 30 CEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2coc(C)c2)C1 ZINC000969543119 613304098 /nfs/dbraw/zinc/30/40/98/613304098.db2.gz KJFICFPOYQBHEN-LBPRGKRZSA-N 0 3 262.353 2.214 20 30 CEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C2=COCCC2)C1 ZINC000965474375 613323849 /nfs/dbraw/zinc/32/38/49/613323849.db2.gz HJRJAOPXJAXFTM-HIFRSBDPSA-N 0 3 278.396 2.083 20 30 CEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)CC2CC2)C1 ZINC000964629080 613332511 /nfs/dbraw/zinc/33/25/11/613332511.db2.gz WUPRYTZSAJCXRH-JSGCOSHPSA-N 0 3 250.386 2.189 20 30 CEEDHN 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C=CCCN1CCCC[C@@H]1CNC(=O)c1ocnc1C ZINC001024377969 625539546 /nfs/dbraw/zinc/53/95/46/625539546.db2.gz FLAGAXFBSOHKFS-CYBMUJFWSA-N 0 3 277.368 2.143 20 30 CEEDHN C[C@@H](O)CNN=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000841640398 625546285 /nfs/dbraw/zinc/54/62/85/625546285.db2.gz JWXMAHGKRABJNZ-CXAGYDPISA-N 0 3 287.407 2.312 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001024453559 625561242 /nfs/dbraw/zinc/56/12/42/625561242.db2.gz KWWKWTLYUCKMEK-CQSZACIVSA-N 0 3 261.369 2.175 20 30 CEEDHN C[C@H]1COC[C@@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000932495684 622905306 /nfs/dbraw/zinc/90/53/06/622905306.db2.gz FQWOWDUBYCMGEY-CABZTGNLSA-N 0 3 282.290 2.284 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@]2(C)CC)C1 ZINC001020858554 622905443 /nfs/dbraw/zinc/90/54/43/622905443.db2.gz SYLCKRJBMYKMIQ-ZJQBRPOHSA-N 0 3 270.804 2.412 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccccc2OC)C1 ZINC001020965649 622949000 /nfs/dbraw/zinc/94/90/00/622949000.db2.gz VZGSSFIKBFGYLZ-HAQNSBGRSA-N 0 3 294.782 2.298 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccncc2)C1 ZINC001021498325 623233390 /nfs/dbraw/zinc/23/33/90/623233390.db2.gz IHKQSCGTWFVFKY-DLBZAZTESA-N 0 3 297.402 2.031 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccnc2)C1 ZINC001021498552 623233727 /nfs/dbraw/zinc/23/37/27/623233727.db2.gz AHJBBSLXFXKBRN-DLBZAZTESA-N 0 3 297.402 2.031 20 30 CEEDHN C=CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253979 623328142 /nfs/dbraw/zinc/32/81/42/623328142.db2.gz VJHQSSIVKCPFRR-MRXNPFEDSA-N 0 3 289.423 2.438 20 30 CEEDHN C#CCC1(NCc2ccc(OC)nn2)CCCCC1 ZINC000933266004 623570570 /nfs/dbraw/zinc/57/05/70/623570570.db2.gz NMKWQAAKPWBXFW-UHFFFAOYSA-N 0 3 259.353 2.301 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2=CCCC2)C1 ZINC001021959788 623597063 /nfs/dbraw/zinc/59/70/63/623597063.db2.gz OWPMYBLBJWJYMB-TXEJJXNPSA-N 0 3 254.761 2.086 20 30 CEEDHN N#Cc1cc(CN2CCN(CC3CC3)CC2)cs1 ZINC000891695792 623908560 /nfs/dbraw/zinc/90/85/60/623908560.db2.gz COLLXIUVFIJBAY-UHFFFAOYSA-N 0 3 261.394 2.147 20 30 CEEDHN O=C1C=COC2(CCN(C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC2)C1 ZINC000933644698 623942237 /nfs/dbraw/zinc/94/22/37/623942237.db2.gz TZEIMBUDZPDQSL-BPUTZDHNSA-N 0 3 291.391 2.282 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001022340878 623977229 /nfs/dbraw/zinc/97/72/29/623977229.db2.gz LTAGVDOYMUTNNG-BETUJISGSA-N 0 3 293.798 2.301 20 30 CEEDHN CC(C)(C)CN(CCO)Cc1csc(C#N)c1 ZINC000891949568 624134432 /nfs/dbraw/zinc/13/44/32/624134432.db2.gz VALJOVHZVBMJPX-UHFFFAOYSA-N 0 3 252.383 2.460 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC001022653215 624358021 /nfs/dbraw/zinc/35/80/21/624358021.db2.gz NGRNITQASUTJMB-TXEJJXNPSA-N 0 3 268.788 2.332 20 30 CEEDHN C#C[C@@H]1CCCCN1CC1CN(C(=O)OC(C)(C)C)C1 ZINC000934516408 624554860 /nfs/dbraw/zinc/55/48/60/624554860.db2.gz HDVBEBDVXBWCCH-CQSZACIVSA-N 0 3 278.396 2.341 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC001022779426 624580206 /nfs/dbraw/zinc/58/02/06/624580206.db2.gz LGLYZQXSAGXWBM-TXEJJXNPSA-N 0 3 281.787 2.234 20 30 CEEDHN C#C[C@H](C)NC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000820417495 634402859 /nfs/dbraw/zinc/40/28/59/634402859.db2.gz ZDEZMZHDVMOGGW-DOTOQJQBSA-N 0 3 299.418 2.314 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(C)C)C1 ZINC001022908769 624737045 /nfs/dbraw/zinc/73/70/45/624737045.db2.gz AXQSROSSAZLVSH-XQHKEYJVSA-N 0 3 270.804 2.268 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(CCC)on2)C1 ZINC001022920696 624746138 /nfs/dbraw/zinc/74/61/38/624746138.db2.gz LPDIATDKPIRUFY-PHIMTYICSA-N 0 3 297.786 2.230 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001022961744 624799227 /nfs/dbraw/zinc/79/92/27/624799227.db2.gz CCFIEINQHXESNE-TXEJJXNPSA-N 0 3 293.798 2.106 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(OC)cc2)C1 ZINC001023011805 624855903 /nfs/dbraw/zinc/85/59/03/624855903.db2.gz AWRJYAVHNLXPTB-BETUJISGSA-N 0 3 294.782 2.298 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H](CNC(=O)C3CC3)C2)cc1 ZINC001023191603 624957333 /nfs/dbraw/zinc/95/73/33/624957333.db2.gz IWNSIUHYJPKXPF-MRXNPFEDSA-N 0 3 297.402 2.296 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccoc2C)C1 ZINC001023221766 624966296 /nfs/dbraw/zinc/96/62/96/624966296.db2.gz QQTCMDUGJVQEKV-CQSZACIVSA-N 0 3 274.364 2.053 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(F)ccc2F)C1 ZINC001023417283 625009685 /nfs/dbraw/zinc/00/96/85/625009685.db2.gz KTGSHMVDQLXFRX-LBPRGKRZSA-N 0 3 292.329 2.040 20 30 CEEDHN C=CCC[C@@H](CO)N[C@H](C)c1cn2c(n1)CCCC2 ZINC000926546371 625025261 /nfs/dbraw/zinc/02/52/61/625025261.db2.gz ROHPMNIRGXAIEJ-OLZOCXBDSA-N 0 3 263.385 2.197 20 30 CEEDHN C=C[C@H](CO)NCc1cc(C)cc(Br)c1 ZINC000308931375 625047776 /nfs/dbraw/zinc/04/77/76/625047776.db2.gz JOMNATSHCMBJQN-GFCCVEGCSA-N 0 3 270.170 2.394 20 30 CEEDHN C=CCN1CCC[C@H](CNC(=O)c2nc(Cl)cs2)C1 ZINC001023555675 625043074 /nfs/dbraw/zinc/04/30/74/625043074.db2.gz ZXCHEDYXRWPJEJ-SNVBAGLBSA-N 0 3 299.827 2.424 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cccc(F)c2F)C1 ZINC001023561031 625043543 /nfs/dbraw/zinc/04/35/43/625043543.db2.gz WTHMBSYOQMEJKM-LBPRGKRZSA-N 0 3 292.329 2.040 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)C2CCC(F)CC2)C1 ZINC001023574779 625048309 /nfs/dbraw/zinc/04/83/09/625048309.db2.gz GXJSCKORJUEWNK-FHERZECASA-N 0 3 294.414 2.366 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2c(C)cccc2C)C1 ZINC001023613044 625070288 /nfs/dbraw/zinc/07/02/88/625070288.db2.gz FPHPGZIGINAXPA-MRXNPFEDSA-N 0 3 284.403 2.378 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc3ccccn3c2)C1 ZINC001023629099 625082023 /nfs/dbraw/zinc/08/20/23/625082023.db2.gz HRTNLPMMEQAVOV-OAHLLOKOSA-N 0 3 295.386 2.014 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001023717975 625134014 /nfs/dbraw/zinc/13/40/14/625134014.db2.gz NFGVUTICAZBQFR-HNNXBMFYSA-N 0 3 270.376 2.070 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cccc(C)c2C)C1 ZINC001023731452 625152869 /nfs/dbraw/zinc/15/28/69/625152869.db2.gz RVYAPOAKNFIURH-INIZCTEOSA-N 0 3 284.403 2.378 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(C)nc2C)C1 ZINC001023762212 625201922 /nfs/dbraw/zinc/20/19/22/625201922.db2.gz UDELOZZUMXAUDA-MRXNPFEDSA-N 0 3 299.418 2.164 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1CC(=C)C ZINC001024662050 625742651 /nfs/dbraw/zinc/74/26/51/625742651.db2.gz RLAMQTFYAIOESS-OAGGEKHMSA-N 0 3 292.423 2.124 20 30 CEEDHN C#C[C@@H](NC(=O)N(CC)[C@@H]1CCN(C)C1)c1ccccc1 ZINC000820583060 634456983 /nfs/dbraw/zinc/45/69/83/634456983.db2.gz DWQHEWMTBZDGFP-HZPDHXFCSA-N 0 3 285.391 2.097 20 30 CEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC ZINC001025192815 627375114 /nfs/dbraw/zinc/37/51/14/627375114.db2.gz RNFDRHZACMFVIA-GJZGRUSLSA-N 0 3 262.397 2.265 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C)n2)C1 ZINC001025343977 627647209 /nfs/dbraw/zinc/64/72/09/627647209.db2.gz LWRWAUWWVLRDHG-JKSUJKDBSA-N 0 3 299.418 2.244 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001007595123 627664856 /nfs/dbraw/zinc/66/48/56/627664856.db2.gz JSRVJCOJRRONDX-UKRRQHHQSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccoc2Cl)C1 ZINC001025403760 627678890 /nfs/dbraw/zinc/67/88/90/627678890.db2.gz JMVYMJGBAUJILL-VXGBXAGGSA-N 0 3 294.782 2.397 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C23CCC(CC2)C3)C1 ZINC001025458310 627704803 /nfs/dbraw/zinc/70/48/03/627704803.db2.gz IBYCVEZAORFBMB-CTMQZQKCSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(C)cc(C)n2)C1 ZINC001025462668 627708493 /nfs/dbraw/zinc/70/84/93/627708493.db2.gz IIOFDARXKHSEPA-HOTGVXAUSA-N 0 3 299.418 2.162 20 30 CEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001025516270 627730977 /nfs/dbraw/zinc/73/09/77/627730977.db2.gz QZFKFAMZMXWJAB-ALYAQQCSSA-N 0 3 288.435 2.273 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccnc2C)C1 ZINC001025525427 627733440 /nfs/dbraw/zinc/73/34/40/627733440.db2.gz ODPUGZMHXQHVJS-GDBMZVCRSA-N 0 3 299.418 2.244 20 30 CEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccnc(C)c2)C1 ZINC001025570450 627759773 /nfs/dbraw/zinc/75/97/73/627759773.db2.gz GXAMHYKHAICLHU-WBVHZDCISA-N 0 3 299.418 2.244 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892775635 627764256 /nfs/dbraw/zinc/76/42/56/627764256.db2.gz GTRWNTQXBARPHV-INIZCTEOSA-N 0 3 262.397 2.355 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(=C)CC2)CC1 ZINC000892851726 627811857 /nfs/dbraw/zinc/81/18/57/627811857.db2.gz PDGZIJFJPORMFD-UHFFFAOYSA-N 0 3 277.412 2.389 20 30 CEEDHN CC(C)(C)OC(=O)NCC1CC(NCC(C)(C)C#N)C1 ZINC000926873548 627878407 /nfs/dbraw/zinc/87/84/07/627878407.db2.gz GNQBUHZXLNNHAJ-UHFFFAOYSA-N 0 3 281.400 2.429 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCC[C@@H]1CC ZINC001025819663 627892637 /nfs/dbraw/zinc/89/26/37/627892637.db2.gz CMVBKXYENSOUSH-XGYYKPKNSA-N 0 3 276.424 2.435 20 30 CEEDHN C#CCCCNCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000893093314 627996710 /nfs/dbraw/zinc/99/67/10/627996710.db2.gz SGVGJWBSCJZCEM-UHFFFAOYSA-N 0 3 292.383 2.270 20 30 CEEDHN C#CCCCNCc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000893093705 627996803 /nfs/dbraw/zinc/99/68/03/627996803.db2.gz WTPFEBCNGQQZGA-UHFFFAOYSA-N 0 3 290.367 2.327 20 30 CEEDHN C(#Cc1ccccc1)CN[C@@H]1CCN(c2ccccn2)C1 ZINC000893229842 628157530 /nfs/dbraw/zinc/15/75/30/628157530.db2.gz KZVRKDOAPCTFLZ-QGZVFWFLSA-N 0 3 277.371 2.302 20 30 CEEDHN C=C1CCC(C(=O)OC[C@]2(C)C[C@@H](OC)CN2C)CC1 ZINC000893261976 628201726 /nfs/dbraw/zinc/20/17/26/628201726.db2.gz GGDSYIZPRYPVPS-ZBFHGGJFSA-N 0 3 281.396 2.385 20 30 CEEDHN C[C@@H](C#N)OCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000801914013 634660465 /nfs/dbraw/zinc/66/04/65/634660465.db2.gz QMZXJAKDUJJKFY-ZDUSSCGKSA-N 0 3 269.348 2.451 20 30 CEEDHN N#Cc1ccccc1CN[C@H]1CCC[C@@H](NC(=O)C2CC2)C1 ZINC000980843135 628814991 /nfs/dbraw/zinc/81/49/91/628814991.db2.gz AAHATTWAAIRSCN-DLBZAZTESA-N 0 3 297.402 2.485 20 30 CEEDHN Cc1cc(F)c(C#N)cc1NC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000932246350 628989151 /nfs/dbraw/zinc/98/91/51/628989151.db2.gz NZNMORHOBCIHTB-MFKMUULPSA-N 0 3 290.342 2.220 20 30 CEEDHN Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(OCC#N)cc1 ZINC000794811348 629325792 /nfs/dbraw/zinc/32/57/92/629325792.db2.gz PUAMTCMRUBKRPT-INIZCTEOSA-N 0 3 296.374 2.490 20 30 CEEDHN CC[C@@H](C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000048540769 629399281 /nfs/dbraw/zinc/39/92/81/629399281.db2.gz IMSSRHDVRVIYHU-DGCLKSJQSA-N 0 3 258.321 2.058 20 30 CEEDHN C=CC(C)(C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000894457711 629471291 /nfs/dbraw/zinc/47/12/91/629471291.db2.gz FBUZZBICKGGPAH-CYBMUJFWSA-N 0 3 265.401 2.267 20 30 CEEDHN C#CCC1(C(=O)N[C@H]2CCN(C)[C@H]2C)CCCCC1 ZINC000928444539 629680280 /nfs/dbraw/zinc/68/02/80/629680280.db2.gz UDDCNWHHSNOBGS-KBPBESRZSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CCN1CCC(C(=O)NCC[C@H](C)CCC)CC1 ZINC000881529127 629818576 /nfs/dbraw/zinc/81/85/76/629818576.db2.gz KYMDOXOOQALHRR-CQSZACIVSA-N 0 3 264.413 2.274 20 30 CEEDHN CCc1[nH]c(CN[C@@H]2CC[C@H](C#N)C2)cc1C(=O)OC ZINC000895053411 629825409 /nfs/dbraw/zinc/82/54/09/629825409.db2.gz IPNKARKRQGSLMA-WDEREUQCSA-N 0 3 275.352 2.146 20 30 CEEDHN C#CC[C@H]1CCCN(Cc2c3c(nn2C)CCSC3)C1 ZINC000895078980 629864190 /nfs/dbraw/zinc/86/41/90/629864190.db2.gz UMJDLRUEIKDWBX-ZDUSSCGKSA-N 0 3 289.448 2.445 20 30 CEEDHN C#CC1CCN(Cc2ccc3oc(=O)oc3c2)CC1 ZINC000895086268 629876861 /nfs/dbraw/zinc/87/68/61/629876861.db2.gz UOCMRAAYVMVIJX-UHFFFAOYSA-N 0 3 257.289 2.231 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc(CC(C)C)nc1 ZINC000895132853 629940294 /nfs/dbraw/zinc/94/02/94/629940294.db2.gz ZCMDMMMHQFNKMM-INIZCTEOSA-N 0 3 260.381 2.144 20 30 CEEDHN CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN([O-])C2=O)CC1 ZINC000895157279 629973437 /nfs/dbraw/zinc/97/34/37/629973437.db2.gz OSXZHPCMTVYIKN-JHJVBQTASA-N 0 3 254.374 2.315 20 30 CEEDHN C[C@H]1C[C@H]([NH2+][C@H]2CCCN([O-])C2=O)CC(C)(C)C1 ZINC000895157263 629973644 /nfs/dbraw/zinc/97/36/44/629973644.db2.gz OHKWUFKOTXXNGY-SRVKXCTJSA-N 0 3 254.374 2.171 20 30 CEEDHN Cc1ccc([C@@H](C)C[NH2+][C@@H]2CCCN([O-])C2=O)cc1 ZINC000895157729 629974421 /nfs/dbraw/zinc/97/44/21/629974421.db2.gz SISWJJYJIDGZGC-GXTWGEPZSA-N 0 3 262.353 2.068 20 30 CEEDHN O=C1[C@H]([NH2+][C@@H]2CCCCC23CCCC3)CCCN1[O-] ZINC000895158677 629974997 /nfs/dbraw/zinc/97/49/97/629974997.db2.gz MNUOTSLPUZAWCN-CHWSQXEVSA-N 0 3 266.385 2.459 20 30 CEEDHN CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN([O-])C2=O)C1 ZINC000895158083 629975165 /nfs/dbraw/zinc/97/51/65/629975165.db2.gz HVLXBAYZSQBMFJ-FRRDWIJNSA-N 0 3 254.374 2.171 20 30 CEEDHN C[C@@H](C[NH2+][C@H]1CCCN([O-])C1=O)C1CCCCC1 ZINC000895159089 629975741 /nfs/dbraw/zinc/97/57/41/629975741.db2.gz SGSFMZRSUWXEID-AAEUAGOBSA-N 0 3 254.374 2.173 20 30 CEEDHN O=C1[C@@H]([NH2+][C@@H]2CCCC23CCCC3)CCCN1[O-] ZINC000895159437 629976454 /nfs/dbraw/zinc/97/64/54/629976454.db2.gz VUVCILBDVBIDJV-NWDGAFQWSA-N 0 3 252.358 2.069 20 30 CEEDHN Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2CCCN([O-])C2=O)c1 ZINC000895160841 629978227 /nfs/dbraw/zinc/97/82/27/629978227.db2.gz PIRVUHGVAGEOAR-UKRRQHHQSA-N 0 3 276.380 2.286 20 30 CEEDHN O=C1[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)CCCN1[O-] ZINC000895160384 629978810 /nfs/dbraw/zinc/97/88/10/629978810.db2.gz MMXMWJWCTJRJNW-RTBKNWGFSA-N 0 3 280.290 2.077 20 30 CEEDHN CC(C)c1ccc(CC[NH2+][C@@H]2CCCN([O-])C2=O)cc1 ZINC000895162048 629980743 /nfs/dbraw/zinc/98/07/43/629980743.db2.gz VVPDJTKHXVMAOF-OAHLLOKOSA-N 0 3 276.380 2.322 20 30 CEEDHN C=CCC1(NCc2nccn2C2CC2)CCOCC1 ZINC000895366314 630142499 /nfs/dbraw/zinc/14/24/99/630142499.db2.gz KNQQKPUHKYYQPS-UHFFFAOYSA-N 0 3 261.369 2.433 20 30 CEEDHN C#CC[C@@H](CCOC)NCc1csc(C(=O)OC)c1 ZINC000895414314 630174177 /nfs/dbraw/zinc/17/41/77/630174177.db2.gz BMDNMBBGTDWWKS-LBPRGKRZSA-N 0 3 281.377 2.053 20 30 CEEDHN COc1ccc([C@H](O)CN[C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902736777 634802084 /nfs/dbraw/zinc/80/20/84/634802084.db2.gz XFBZONNMYZYBRU-SJKOYZFVSA-N 0 3 297.358 2.346 20 30 CEEDHN N#Cc1c2ccccc2[nH]c1C(=O)NCCN1CCCCC1 ZINC000895733179 630324069 /nfs/dbraw/zinc/32/40/69/630324069.db2.gz UQEAGAHEKPJKAS-UHFFFAOYSA-N 0 3 296.374 2.255 20 30 CEEDHN Cc1cc(C#N)cc(C)c1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000896440368 630566632 /nfs/dbraw/zinc/56/66/32/630566632.db2.gz BYMDKMSVIAXPAX-BBRMVZONSA-N 0 3 297.402 2.388 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C)c(C#N)c2)[C@H]1OC ZINC000896880999 630699614 /nfs/dbraw/zinc/69/96/14/630699614.db2.gz ZAVIIJMJBYNDPI-BZUAXINKSA-N 0 3 274.364 2.149 20 30 CEEDHN CC(C)(C)OC(=O)N1CC[C@@](C)(CNCCC#N)C1 ZINC000798954628 630955317 /nfs/dbraw/zinc/95/53/17/630955317.db2.gz YPMWRJKTPFVSQA-AWEZNQCLSA-N 0 3 267.373 2.137 20 30 CEEDHN CCCCCCCS(=O)(=O)NCCN(C)C(C)C ZINC000799815776 631081717 /nfs/dbraw/zinc/08/17/17/631081717.db2.gz YYDNZDXTMJAGQG-UHFFFAOYSA-N 0 3 278.462 2.216 20 30 CEEDHN C[C@H](C#N)OCCN(C)CCOc1ccccc1F ZINC000801911109 631351602 /nfs/dbraw/zinc/35/16/02/631351602.db2.gz FSHSAEDGVNLLDX-GFCCVEGCSA-N 0 3 266.316 2.065 20 30 CEEDHN C[C@H](C#N)OCCNC1(c2cccc(C#N)c2)CC1 ZINC000801938579 631363800 /nfs/dbraw/zinc/36/38/00/631363800.db2.gz HMNNTQQQHUWHAR-GFCCVEGCSA-N 0 3 255.321 2.066 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CC2=CCCCC2)C1 ZINC000988343372 631512436 /nfs/dbraw/zinc/51/24/36/631512436.db2.gz SWXNLOYAMIZWTE-HIFRSBDPSA-N 0 3 260.381 2.089 20 30 CEEDHN C#CC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000804128976 631638634 /nfs/dbraw/zinc/63/86/34/631638634.db2.gz WZOZDKYBEXDXFB-CQSZACIVSA-N 0 3 278.783 2.472 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2nccc3ccccc32)C1 ZINC000989374381 631799591 /nfs/dbraw/zinc/79/95/91/631799591.db2.gz MTLKZORFZZKAAW-UKRRQHHQSA-N 0 3 293.370 2.061 20 30 CEEDHN Cc1nsc(NCCN2CCC[C@@H]2C)c1C#N ZINC000807987854 631899044 /nfs/dbraw/zinc/89/90/44/631899044.db2.gz MJSCBNIXWJEFCA-VIFPVBQESA-N 0 3 250.371 2.219 20 30 CEEDHN C#Cc1ccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1 ZINC000897864168 631949587 /nfs/dbraw/zinc/94/95/87/631949587.db2.gz LXZSNSBBLHVUMW-CQSZACIVSA-N 0 3 282.387 2.224 20 30 CEEDHN CC#CCN(C)C(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000897861599 631970506 /nfs/dbraw/zinc/97/05/06/631970506.db2.gz KEFYLZUSALYAIH-INIZCTEOSA-N 0 3 288.391 2.216 20 30 CEEDHN C=CCCCC[C@@H](C)[NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898151485 632071244 /nfs/dbraw/zinc/07/12/44/632071244.db2.gz OWVCHRMSIXZIQY-KGLIPLIRSA-N 0 3 290.411 2.485 20 30 CEEDHN C[C@]1(c2ccccc2)CCCN(C[C@H](O)CC#N)C1 ZINC000809575263 632103726 /nfs/dbraw/zinc/10/37/26/632103726.db2.gz XENBTGHOSHFECK-CVEARBPZSA-N 0 3 258.365 2.315 20 30 CEEDHN C#C[C@H](C)NCc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000809683680 632127318 /nfs/dbraw/zinc/12/73/18/632127318.db2.gz KFFDVOULNAJWIU-JTQLQIEISA-N 0 3 287.315 2.339 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCc2ccccc2C)C1 ZINC000989486923 632183932 /nfs/dbraw/zinc/18/39/32/632183932.db2.gz WKUWZKPPXPNACR-WBVHZDCISA-N 0 3 284.403 2.140 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3c(c2)C=CCC3)C1 ZINC000989536711 632199930 /nfs/dbraw/zinc/19/99/30/632199930.db2.gz OIHOLNBKKIYJEN-KDOFPFPSSA-N 0 3 294.398 2.472 20 30 CEEDHN C#CCCN1CCCN(C(=O)c2ccc(C)cc2C)CC1 ZINC000989592336 632209565 /nfs/dbraw/zinc/20/95/65/632209565.db2.gz UNHMHWURQKQXKV-UHFFFAOYSA-N 0 3 284.403 2.475 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc3cnccc3c2)C1 ZINC000989651087 632218595 /nfs/dbraw/zinc/21/85/95/632218595.db2.gz ZUMCCNNEIVFYDC-SUMWQHHRSA-N 0 3 293.370 2.061 20 30 CEEDHN COCC1(C(=O)C(C#N)c2nc(C)cs2)CCOCC1 ZINC000810519572 632221662 /nfs/dbraw/zinc/22/16/62/632221662.db2.gz HDVWDVBXJIDLTG-NSHDSACASA-N 0 3 294.376 2.071 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC000989747300 632233448 /nfs/dbraw/zinc/23/34/48/632233448.db2.gz LEELPHZDYQTJMM-OFLPRAFFSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(C)c(C)s2)C1 ZINC000989765054 632237920 /nfs/dbraw/zinc/23/79/20/632237920.db2.gz CPVOVZLKUGBBSJ-AAEUAGOBSA-N 0 3 276.405 2.191 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3c(s2)CCC3)C1 ZINC000989754805 632238513 /nfs/dbraw/zinc/23/85/13/632238513.db2.gz AUJKWRMZIIILDW-AAEUAGOBSA-N 0 3 288.416 2.063 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C)c(C)c2)C1 ZINC000989753136 632238892 /nfs/dbraw/zinc/23/88/92/632238892.db2.gz RZHRUVCSXGFQQU-GDBMZVCRSA-N 0 3 270.376 2.129 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc3cnccc32)C1 ZINC000989796107 632244384 /nfs/dbraw/zinc/24/43/84/632244384.db2.gz HMFBXLYVGLAHJR-HIFRSBDPSA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CCc2ccc(C)s2)C1 ZINC000989863215 632258340 /nfs/dbraw/zinc/25/83/40/632258340.db2.gz DMHJQJKGUSUKDY-JSGCOSHPSA-N 0 3 290.432 2.201 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccccc3O)CCC[C@@H]12 ZINC000989960994 632290340 /nfs/dbraw/zinc/29/03/40/632290340.db2.gz PTQBRDHURGSWNZ-AEFFLSMTSA-N 0 3 298.386 2.142 20 30 CEEDHN C=C(C)CNN=Cc1ccc(N2CCOCC2)cc1 ZINC000811652035 632414367 /nfs/dbraw/zinc/41/43/67/632414367.db2.gz XMQVHLTUAGSJOT-UHFFFAOYSA-N 0 3 259.353 2.023 20 30 CEEDHN CC1/C(=C/c2cnn(C3CCC3)c2)C(=O)c2ncnn21 ZINC000899381734 632823021 /nfs/dbraw/zinc/82/30/21/632823021.db2.gz SCTWCEYGONMJJT-UKWOQQOSSA-N 0 3 269.308 2.041 20 30 CEEDHN CCCN(CCC)c1ccc(C=NNCCO)cc1 ZINC000814943644 632937264 /nfs/dbraw/zinc/93/72/64/632937264.db2.gz HSDDMPQXXOUSCA-UHFFFAOYSA-N 0 3 263.385 2.229 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CC[C@](O)(c3ccc(F)cc3)C2)C1 ZINC000815084330 632956580 /nfs/dbraw/zinc/95/65/80/632956580.db2.gz BLANQFSZIMCISQ-UHOFOFEASA-N 0 3 274.339 2.411 20 30 CEEDHN C=CCOCCN1CCC(c2nccc(C)n2)CC1 ZINC000815092153 632957119 /nfs/dbraw/zinc/95/71/19/632957119.db2.gz AWIKUXBUOIWQJP-UHFFFAOYSA-N 0 3 261.369 2.167 20 30 CEEDHN C=CCN1CCN(CN2CC[C@H](C3CCCC3)C2)C1=O ZINC000817371238 633643655 /nfs/dbraw/zinc/64/36/55/633643655.db2.gz SPXQVXFJGGMKMB-HNNXBMFYSA-N 0 3 277.412 2.380 20 30 CEEDHN C#CCCCCCCn1cc([C@H](N)C2CCOCC2)nn1 ZINC000900640863 633790887 /nfs/dbraw/zinc/79/08/87/633790887.db2.gz FAYWRHZOEHVVFA-MRXNPFEDSA-N 0 3 290.411 2.288 20 30 CEEDHN CC[C@@](C)(NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000818115653 633872425 /nfs/dbraw/zinc/87/24/25/633872425.db2.gz QEQOGLLZHXXDIJ-GDBMZVCRSA-N 0 3 273.380 2.449 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1ccnn1C ZINC000901220103 633995468 /nfs/dbraw/zinc/99/54/68/633995468.db2.gz JXJORNZXQJWVDV-CYBMUJFWSA-N 0 3 283.379 2.340 20 30 CEEDHN Cc1ncsc1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000819018078 634041932 /nfs/dbraw/zinc/04/19/32/634041932.db2.gz PIEKUXDZLNBPOL-CYBMUJFWSA-N 0 3 273.361 2.146 20 30 CEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)C(F)=C1CCC1 ZINC000819952319 634296667 /nfs/dbraw/zinc/29/66/67/634296667.db2.gz OZRPRMCRIAFLGF-SNVBAGLBSA-N 0 3 273.267 2.136 20 30 CEEDHN C[C@@H](NCCCN1CCCCC1=O)c1cc(C#N)ccn1 ZINC000902796686 634838576 /nfs/dbraw/zinc/83/85/76/634838576.db2.gz TUWVJZKSPRGTQU-CYBMUJFWSA-N 0 3 286.379 2.006 20 30 CEEDHN C[C@@H](NCCc1cscn1)c1cc(C#N)ccn1 ZINC000902844613 634856774 /nfs/dbraw/zinc/85/67/74/634856774.db2.gz LAXKXJHRFDFGJW-SNVBAGLBSA-N 0 3 258.350 2.303 20 30 CEEDHN C[C@H](C#N)OCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000801937799 634881359 /nfs/dbraw/zinc/88/13/59/634881359.db2.gz WMEPKKWYTSNVNL-GHMZBOCLSA-N 0 3 263.297 2.174 20 30 CEEDHN C[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)N1CCCCC1 ZINC000822663043 634967392 /nfs/dbraw/zinc/96/73/92/634967392.db2.gz KDEIUTUJPGEZOX-RHSMWYFYSA-N 0 3 289.423 2.451 20 30 CEEDHN COC[C@H](NCC1(C#N)CCCC1)C1CCOCC1 ZINC000903109546 634973415 /nfs/dbraw/zinc/97/34/15/634973415.db2.gz QZECXCFQBYAISI-AWEZNQCLSA-N 0 3 266.385 2.102 20 30 CEEDHN C[C@@H](NC1CC(CC(N)=O)C1)c1ccc(C#N)cc1F ZINC000903259016 635032741 /nfs/dbraw/zinc/03/27/41/635032741.db2.gz GVTJCWCZFKYTEL-OIKLOGQESA-N 0 3 275.327 2.002 20 30 CEEDHN C[C@H](NC1CCC(C)(C#N)CC1)c1nnnn1C1CC1 ZINC000824282353 635395835 /nfs/dbraw/zinc/39/58/35/635395835.db2.gz VCUUUXRDVXOZLZ-IFQILLTASA-N 0 3 274.372 2.131 20 30 CEEDHN C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585346 635457621 /nfs/dbraw/zinc/45/76/21/635457621.db2.gz QDLDDVPIBKHXDT-LLVKDONJSA-N 0 3 284.367 2.457 20 30 CEEDHN C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585346 635457622 /nfs/dbraw/zinc/45/76/22/635457622.db2.gz QDLDDVPIBKHXDT-LLVKDONJSA-N 0 3 284.367 2.457 20 30 CEEDHN C#CCN(CC)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000824627527 635465729 /nfs/dbraw/zinc/46/57/29/635465729.db2.gz PDXSBFZOQJVZFM-MRXNPFEDSA-N 0 3 259.349 2.309 20 30 CEEDHN C=CCC[C@H](CO)[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000825168408 635582779 /nfs/dbraw/zinc/58/27/79/635582779.db2.gz IQVARTPAIBDAKS-CYBMUJFWSA-N 0 3 265.353 2.208 20 30 CEEDHN C#Cc1cccc(CNCc2cc(C(=O)OC)c(C)n2C)c1 ZINC000825227550 635595237 /nfs/dbraw/zinc/59/52/37/635595237.db2.gz USSPTIGRWMYWQW-UHFFFAOYSA-N 0 3 296.370 2.391 20 30 CEEDHN COc1cc(/C=C2/C(=O)c3ncnn3C2C)cc(OC)c1 ZINC000905080570 635797600 /nfs/dbraw/zinc/79/76/00/635797600.db2.gz MPJCNERDMGUOLK-UWZPUTRXSA-N 0 3 285.303 2.136 20 30 CEEDHN C[C@@H](CC#N)C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000826986265 636178222 /nfs/dbraw/zinc/17/82/22/636178222.db2.gz RRNFVYPESXWHKU-JSGCOSHPSA-N 0 3 271.364 2.056 20 30 CEEDHN C[C@](O)(CN[C@@H]1CCc2cc(C#N)ccc21)C(F)F ZINC000905236034 636188999 /nfs/dbraw/zinc/18/89/99/636188999.db2.gz DEDJEAREKYBCDI-OCCSQVGLSA-N 0 3 266.291 2.151 20 30 CEEDHN C#C[C@H](NCc1ccnn1CC(C)C)C1CCOCC1 ZINC000827555080 636352132 /nfs/dbraw/zinc/35/21/32/636352132.db2.gz NFXPFGWQCCVGOJ-INIZCTEOSA-N 0 3 275.396 2.057 20 30 CEEDHN C#C[C@H](NCc1sccc1OC)C1CCOCC1 ZINC000827566226 636355611 /nfs/dbraw/zinc/35/56/11/636355611.db2.gz UENDXGIKURFJPP-LBPRGKRZSA-N 0 3 265.378 2.275 20 30 CEEDHN C#C[C@H](NCc1cc(OC)cc(OC)c1)C1CCOCC1 ZINC000827575728 636358466 /nfs/dbraw/zinc/35/84/66/636358466.db2.gz UDDCKQKAAFTZET-KRWDZBQOSA-N 0 3 289.375 2.222 20 30 CEEDHN C#Cc1cnc(N[C@H]2CCN(C)[C@@H]2c2ccccc2)nc1 ZINC000827821801 636433712 /nfs/dbraw/zinc/43/37/12/636433712.db2.gz WICMDUQQCAJQRE-JKSUJKDBSA-N 0 3 278.359 2.315 20 30 CEEDHN C#CCOCCNc1ccnc2ccc(CC)cc21 ZINC000827899464 636454977 /nfs/dbraw/zinc/45/49/77/636454977.db2.gz GDHQPIZOQJXHBM-UHFFFAOYSA-N 0 3 254.333 2.281 20 30 CEEDHN C#C[C@H](NCCc1ncc(C)cc1C)[C@@H]1CCCO1 ZINC000828307161 636566412 /nfs/dbraw/zinc/56/64/12/636566412.db2.gz LLFDFAFZFPZFDA-HOCLYGCPSA-N 0 3 258.365 2.011 20 30 CEEDHN C#C[C@H](NC[C@]1(C)CC1(Cl)Cl)[C@H]1CCCO1 ZINC000828952539 636733686 /nfs/dbraw/zinc/73/36/86/636733686.db2.gz AHSOIIOEASMRKN-AXFHLTTASA-N 0 3 262.180 2.341 20 30 CEEDHN C#C[C@H](NC[C@@H](Cc1ccccc1)OC)[C@H]1CCCO1 ZINC000828954450 636734749 /nfs/dbraw/zinc/73/47/49/636734749.db2.gz SYYCPHKGMXBSEQ-IXDOHACOSA-N 0 3 273.376 2.015 20 30 CEEDHN CCN1CCCN(C(=O)Cc2c(C)cc(C#N)cc2C)CC1 ZINC000906626185 636811711 /nfs/dbraw/zinc/81/17/11/636811711.db2.gz WFLLVBKDCXCJFX-UHFFFAOYSA-N 0 3 299.418 2.272 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)N(C)Cc2ccccc2)C1 ZINC000829768440 636925627 /nfs/dbraw/zinc/92/56/27/636925627.db2.gz CWYXIZHZZGADOP-MRXNPFEDSA-N 0 3 284.403 2.380 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)NCCc2ccccc2C)C1 ZINC000829773558 636927097 /nfs/dbraw/zinc/92/70/97/636927097.db2.gz FVLJSAXIMOJKOE-QGZVFWFLSA-N 0 3 298.430 2.389 20 30 CEEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)NC2CCCC2)C1 ZINC000829775191 636927652 /nfs/dbraw/zinc/92/76/52/636927652.db2.gz YYWUNJSUKWODLT-KGLIPLIRSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CC1CCN([C@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000830311232 637032648 /nfs/dbraw/zinc/03/26/48/637032648.db2.gz IJNJRGWWQSSBFL-OAHLLOKOSA-N 0 3 284.403 2.079 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1OCC ZINC000876548372 650317066 /nfs/dbraw/zinc/31/70/66/650317066.db2.gz FBEQYHYKZGBTTF-SNVBAGLBSA-N 0 3 268.744 2.494 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(F)cc1 ZINC000876557296 650325228 /nfs/dbraw/zinc/32/52/28/650325228.db2.gz WMNHVMYEVGKHNW-LBPRGKRZSA-N 0 3 270.735 2.254 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1cccc(Cl)c1 ZINC000876560106 650328605 /nfs/dbraw/zinc/32/86/05/650328605.db2.gz FSIIAAMDIGABJK-GFCCVEGCSA-N 0 3 287.190 2.469 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@H](C)CCCCC ZINC000831679368 637408268 /nfs/dbraw/zinc/40/82/68/637408268.db2.gz XFNAGJZITJBRDJ-MCIONIFRSA-N 0 3 268.401 2.005 20 30 CEEDHN COC(=O)C1(C#N)CCN(C[C@@H]2CCc3ccccc32)CC1 ZINC000831699849 637412765 /nfs/dbraw/zinc/41/27/65/637412765.db2.gz YDRDUWGDANGYNT-HNNXBMFYSA-N 0 3 298.386 2.495 20 30 CEEDHN COC(=O)C1(C#N)CCN(C[C@H]2CCc3ccccc32)CC1 ZINC000831699850 637412961 /nfs/dbraw/zinc/41/29/61/637412961.db2.gz YDRDUWGDANGYNT-OAHLLOKOSA-N 0 3 298.386 2.495 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)NCc1ccc(C)c(C#N)c1 ZINC000831798435 637437422 /nfs/dbraw/zinc/43/74/22/637437422.db2.gz MALNRJHVNKGHLR-MRXNPFEDSA-N 0 3 285.391 2.357 20 30 CEEDHN C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H]1CCN(C)[C@@H](C)C1 ZINC000908662135 637448978 /nfs/dbraw/zinc/44/89/78/637448978.db2.gz YSIIUTLXPYUEAJ-SOUVJXGZSA-N 0 3 292.423 2.243 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(c2ccccc2)CC1 ZINC000876571334 650337252 /nfs/dbraw/zinc/33/72/52/650337252.db2.gz JIYAQNVPIHWODQ-ZDUSSCGKSA-N 0 3 278.783 2.304 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(c2ccccc2)CC1 ZINC000876571333 650337332 /nfs/dbraw/zinc/33/73/32/650337332.db2.gz JIYAQNVPIHWODQ-CYBMUJFWSA-N 0 3 278.783 2.304 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)c1cccc(C)c1 ZINC000876579240 650342752 /nfs/dbraw/zinc/34/27/52/650342752.db2.gz OTVIJPTYYNIYDR-GFCCVEGCSA-N 0 3 252.745 2.428 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(COC)c1 ZINC000876591959 650348878 /nfs/dbraw/zinc/34/88/78/650348878.db2.gz MOKAJCFOMXZPCG-GFCCVEGCSA-N 0 3 268.744 2.241 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000876625977 650365457 /nfs/dbraw/zinc/36/54/57/650365457.db2.gz KXZIIMRIZXDNGC-JTQLQIEISA-N 0 3 270.764 2.047 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCc2sccc2C1 ZINC000876653163 650377204 /nfs/dbraw/zinc/37/72/04/650377204.db2.gz OUPJAROTHGWKQL-NSHDSACASA-N 0 3 284.812 2.493 20 30 CEEDHN CO[C@H](C=Nn1cnc2ccccc21)C1CCOCC1 ZINC000834932940 637992222 /nfs/dbraw/zinc/99/22/22/637992222.db2.gz IEODWABRFMQMGH-OAHLLOKOSA-N 0 3 273.336 2.312 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000876675424 650394032 /nfs/dbraw/zinc/39/40/32/650394032.db2.gz AOWUEACIZNDRAW-QJPTWQEYSA-N 0 3 288.819 2.118 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccsn3)CCC[C@H]12 ZINC000991301551 638239986 /nfs/dbraw/zinc/23/99/86/638239986.db2.gz QSVAEKJBTPXUPN-GXTWGEPZSA-N 0 3 277.393 2.056 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCS[C@H](C(C)C)C1 ZINC000876698491 650404767 /nfs/dbraw/zinc/40/47/67/650404767.db2.gz JVRGVYNFKYLRIU-MNOVXSKESA-N 0 3 276.833 2.056 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000911643729 638335471 /nfs/dbraw/zinc/33/54/71/638335471.db2.gz XDPVHIBKHYXMPJ-STQMWFEESA-N 0 3 277.368 2.330 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2c(c1)OCO2 ZINC000911884321 638454102 /nfs/dbraw/zinc/45/41/02/638454102.db2.gz WYAIJQWNGGGREV-NSHDSACASA-N 0 3 262.309 2.037 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000911906715 638474513 /nfs/dbraw/zinc/47/45/13/638474513.db2.gz KVOVGZBXNNQFIK-GFCCVEGCSA-N 0 3 263.297 2.217 20 30 CEEDHN C#C[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000912046886 638533757 /nfs/dbraw/zinc/53/37/57/638533757.db2.gz JIRQXYAVRLRCDA-AWEZNQCLSA-N 0 3 262.397 2.123 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1ccncc1 ZINC000876788839 650431938 /nfs/dbraw/zinc/43/19/38/650431938.db2.gz RKTVTPWDAIBJJI-STQMWFEESA-N 0 3 279.771 2.215 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)C[C@H](C)CC ZINC000836329921 638601169 /nfs/dbraw/zinc/60/11/69/638601169.db2.gz XKCGPRMLVXKHRO-KGLIPLIRSA-N 0 3 267.417 2.065 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C(=O)OC)ccc1F ZINC000912207163 638606386 /nfs/dbraw/zinc/60/63/86/638606386.db2.gz KPCLLAPPPSPVAI-LBPRGKRZSA-N 0 3 294.326 2.234 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(Cl)nc1 ZINC000912192612 638609579 /nfs/dbraw/zinc/60/95/79/638609579.db2.gz APIUGWHOQAQPKR-SNVBAGLBSA-N 0 3 253.733 2.357 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000912249452 638625457 /nfs/dbraw/zinc/62/54/57/638625457.db2.gz XWRYXUXXUWPPCV-CYBMUJFWSA-N 0 3 290.363 2.404 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC1CC(C(C)(C)C)C1 ZINC000836476970 638644799 /nfs/dbraw/zinc/64/47/99/638644799.db2.gz HVFSHDKTTARWRH-UHFFFAOYSA-N 0 3 279.428 2.065 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H](O)c1ccccc1Cl ZINC000912369934 638670608 /nfs/dbraw/zinc/67/06/08/638670608.db2.gz TVRPYAKJXDWBBW-ZIAGYGMSSA-N 0 3 296.798 2.173 20 30 CEEDHN N#CC[C@H](CC(=O)N1CC[C@H](N2CCC2)C1)c1ccccc1 ZINC000912907887 639068414 /nfs/dbraw/zinc/06/84/14/639068414.db2.gz KCOODHHAWIKNSY-SJORKVTESA-N 0 3 297.402 2.381 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000837328823 639188070 /nfs/dbraw/zinc/18/80/70/639188070.db2.gz HAUZUDJTFLUTKU-RRFJBIMHSA-N 0 3 279.428 2.065 20 30 CEEDHN CN(C)CCN(Cc1ccccn1)C(=O)C#CC(C)(C)C ZINC000837402691 639216200 /nfs/dbraw/zinc/21/62/00/639216200.db2.gz NLNWQOUBRKCQIH-UHFFFAOYSA-N 0 3 287.407 2.021 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000876905437 650480404 /nfs/dbraw/zinc/48/04/04/650480404.db2.gz HMWMWKRSMJLLCM-SCDSUCTJSA-N 0 3 270.804 2.495 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCNc1cccc(F)c1 ZINC000876907046 650481474 /nfs/dbraw/zinc/48/14/74/650481474.db2.gz AVSXEWVMRDVGLR-ZDUSSCGKSA-N 0 3 299.777 2.214 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc(Cl)cn1 ZINC000876906535 650481587 /nfs/dbraw/zinc/48/15/87/650481587.db2.gz BKBKGLMAHPYPGJ-WPRPVWTQSA-N 0 3 288.178 2.382 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)CC3CC(F)(F)C3)CCC[C@H]12 ZINC000991448316 639262726 /nfs/dbraw/zinc/26/27/26/639262726.db2.gz QUSRNWVCTJGALR-DZGCQCFKSA-N 0 3 296.361 2.168 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C#CC1CC1 ZINC000837531263 639269605 /nfs/dbraw/zinc/26/96/05/639269605.db2.gz FKBREKDMTKWNQV-WMLDXEAASA-N 0 3 282.387 2.037 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(CC1CCC1)C(C)C ZINC000876910457 650482800 /nfs/dbraw/zinc/48/28/00/650482800.db2.gz CDHAXANOXOHJHF-LBPRGKRZSA-N 0 3 258.793 2.493 20 30 CEEDHN CC[C@@H](SC)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000156480505 639357595 /nfs/dbraw/zinc/35/75/95/639357595.db2.gz WCSZKVXXJJZSKH-QWHCGFSZSA-N 0 3 290.388 2.153 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2ccccc2OC)CC1 ZINC000876936717 650494468 /nfs/dbraw/zinc/49/44/68/650494468.db2.gz LCKFMDSHUBRBRM-LBPRGKRZSA-N 0 3 294.782 2.270 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1cccc(OCC)c1 ZINC000876938997 650496365 /nfs/dbraw/zinc/49/63/65/650496365.db2.gz DCSJPZHAXIIKRR-AWEZNQCLSA-N 0 3 296.798 2.214 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2ccco2)CC1 ZINC000876959036 650506474 /nfs/dbraw/zinc/50/64/74/650506474.db2.gz OHKVSKUFNLOIPW-GFCCVEGCSA-N 0 3 282.771 2.456 20 30 CEEDHN C#C[C@@H](NCc1ccc(N(C)C)cc1C)[C@@H]1CCCO1 ZINC000840938677 639592878 /nfs/dbraw/zinc/59/28/78/639592878.db2.gz QBUWPTONQUEAFY-SJORKVTESA-N 0 3 272.392 2.331 20 30 CEEDHN CCCN(CCC)c1ccc(C=NNC2=NCCN2)cc1 ZINC000841661930 639828839 /nfs/dbraw/zinc/82/88/39/639828839.db2.gz PDLJSWJKROTFIY-UHFFFAOYSA-N 0 3 287.411 2.196 20 30 CEEDHN C#CC[C@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)c1ccccc1 ZINC000841865161 639891081 /nfs/dbraw/zinc/89/10/81/639891081.db2.gz MBGYRXIJZIZCGS-YCPHGPKFSA-N 0 3 285.391 2.143 20 30 CEEDHN COc1ccc(CNCc2cccc(CO)c2)cc1C#N ZINC000174359026 639923211 /nfs/dbraw/zinc/92/32/11/639923211.db2.gz ASPBDALHWKUTQP-UHFFFAOYSA-N 0 3 282.343 2.349 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C3CCC(F)CC3)CCC[C@H]12 ZINC000992152866 639975096 /nfs/dbraw/zinc/97/50/96/639975096.db2.gz NTQGSQXYKUFDNC-UMPYDWHISA-N 0 3 292.398 2.261 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CC)CCC[C@@H]12 ZINC000992241475 640001915 /nfs/dbraw/zinc/00/19/15/640001915.db2.gz POAOTDKLOUWJBB-KCYZZUKISA-N 0 3 274.408 2.169 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001015155229 640034098 /nfs/dbraw/zinc/03/40/98/640034098.db2.gz LMTRTNUJKPGAFL-CQSZACIVSA-N 0 3 293.370 2.062 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2cncc(F)c2)c1 ZINC000151597481 640045926 /nfs/dbraw/zinc/04/59/26/640045926.db2.gz YLNIFGOXOVQMLX-AWEZNQCLSA-N 0 3 297.289 2.490 20 30 CEEDHN CC(C)[C@H](CCO)NCc1cc(C#N)cnc1Cl ZINC000877064497 650555793 /nfs/dbraw/zinc/55/57/93/650555793.db2.gz UDTDDISGXFTDEX-LBPRGKRZSA-N 0 3 267.760 2.103 20 30 CEEDHN CC(C)(C)OC(=O)C(C)(C)C(=O)C(C#N)c1ccncn1 ZINC000842759708 640172276 /nfs/dbraw/zinc/17/22/76/640172276.db2.gz ZJZJEYLOZNQXIB-JTQLQIEISA-N 0 3 289.335 2.021 20 30 CEEDHN C[C@H](NC(=O)c1sccc1CC#N)C1=CCN(C)CC1 ZINC000867306044 640200620 /nfs/dbraw/zinc/20/06/20/640200620.db2.gz BZZZOAXBGPDDMN-NSHDSACASA-N 0 3 289.404 2.194 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877095597 650569701 /nfs/dbraw/zinc/56/97/01/650569701.db2.gz RMJMBUIEAWPBLG-YGRLFVJLSA-N 0 3 290.798 2.179 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccccc2)[C@@H]1C ZINC000992983406 640394504 /nfs/dbraw/zinc/39/45/04/640394504.db2.gz PIEHEANOBVNORJ-HOCLYGCPSA-N 0 3 270.376 2.293 20 30 CEEDHN N#Cc1cnn2cc(CN3CCCCCCC3)cnc12 ZINC000843391754 640414914 /nfs/dbraw/zinc/41/49/14/640414914.db2.gz YHLUIEKQTWDCRX-UHFFFAOYSA-N 0 3 269.352 2.367 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC2CCOCC2)[C@H]1C ZINC000993125245 640464003 /nfs/dbraw/zinc/46/40/03/640464003.db2.gz PCDJELFAICVXIX-GDBMZVCRSA-N 0 3 294.439 2.348 20 30 CEEDHN CC(=NNC(=N)N)c1ccc(N2CCCCC2)c(F)c1 ZINC000915051177 640505258 /nfs/dbraw/zinc/50/52/58/640505258.db2.gz WLPNMKLTSIYXHI-UHFFFAOYSA-N 0 3 277.347 2.023 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2ccc(C)o2)[C@H]1C ZINC000993234788 640565837 /nfs/dbraw/zinc/56/58/37/640565837.db2.gz NGUJPUNWKBWBQC-ZBFHGGJFSA-N 0 3 288.391 2.123 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2c(F)cc(F)cc2F)C1 ZINC001015638180 640573392 /nfs/dbraw/zinc/57/33/92/640573392.db2.gz ZPUAQRZZAYNBPP-NSHDSACASA-N 0 3 298.308 2.484 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1csc(C)c1C ZINC000877147448 650594797 /nfs/dbraw/zinc/59/47/97/650594797.db2.gz FJRUAYJOVUUCPA-NSHDSACASA-N 0 3 272.801 2.451 20 30 CEEDHN C=CCN1CCC[C@H](NC(=O)c2ccn3cncc3c2)[C@H]1C ZINC000993542342 640654870 /nfs/dbraw/zinc/65/48/70/640654870.db2.gz ZKYYDWUZBIZMIQ-CJNGLKHVSA-N 0 3 298.390 2.103 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC000993717889 640669627 /nfs/dbraw/zinc/66/96/27/640669627.db2.gz JEFTWIPIFDXPGU-UKRRQHHQSA-N 0 3 276.424 2.415 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2csc(=O)[nH]2)[C@H]1C ZINC000993696892 640670645 /nfs/dbraw/zinc/67/06/45/640670645.db2.gz VOOTZNKZHFUDIC-GHMZBOCLSA-N 0 3 295.408 2.008 20 30 CEEDHN C=C(Br)CN[C@H](CO)[C@@H](C)CCC ZINC000844376503 640698238 /nfs/dbraw/zinc/69/82/38/640698238.db2.gz CXGCUJVMFJGCAV-WCBMZHEXSA-N 0 3 250.180 2.282 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001015746560 640812621 /nfs/dbraw/zinc/81/26/21/640812621.db2.gz SFFZJQJEANFEJY-GFCCVEGCSA-N 0 3 294.757 2.307 20 30 CEEDHN CC(C)SCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000916895661 640828300 /nfs/dbraw/zinc/82/83/00/640828300.db2.gz ONHJZVGUGDHWFJ-LBPRGKRZSA-N 0 3 282.409 2.286 20 30 CEEDHN C#CCCCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000154860832 641003618 /nfs/dbraw/zinc/00/36/18/641003618.db2.gz MCQAUMLTSJWNEG-UHFFFAOYSA-N 0 3 277.412 2.060 20 30 CEEDHN Cc1cc(C(=O)OC[C@H]2CCN2C(C)(C)C)ncc1C#N ZINC000845730559 641061247 /nfs/dbraw/zinc/06/12/47/641061247.db2.gz ONOFLQQZXOTWII-CYBMUJFWSA-N 0 3 287.363 2.291 20 30 CEEDHN N#CC(C(=O)CCc1ccsc1)C(=O)Nc1ccccn1 ZINC000126401980 650630266 /nfs/dbraw/zinc/63/02/66/650630266.db2.gz ZNFFNQUSRMSCFT-GFCCVEGCSA-N 0 3 299.355 2.423 20 30 CEEDHN C#C[C@@H]1CCCN(CCOc2cccc(C(=O)OC)c2)C1 ZINC000847022227 641529102 /nfs/dbraw/zinc/52/91/02/641529102.db2.gz GFPNLTWSGDCLRK-CQSZACIVSA-N 0 3 287.359 2.197 20 30 CEEDHN C#C[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000847025265 641531733 /nfs/dbraw/zinc/53/17/33/641531733.db2.gz VOXSNXQIHMOXEQ-CYBMUJFWSA-N 0 3 274.320 2.319 20 30 CEEDHN CC(C)COCCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000069953088 641620677 /nfs/dbraw/zinc/62/06/77/641620677.db2.gz GKRISTDHRSPAQF-AWEZNQCLSA-N 0 3 294.395 2.207 20 30 CEEDHN CC(C)(C)C#CC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000848351748 641966851 /nfs/dbraw/zinc/96/68/51/641966851.db2.gz GVBQJCNCMVSCNV-UONOGXRCSA-N 0 3 262.397 2.169 20 30 CEEDHN CC(C)(C)C#CC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000848351746 641966967 /nfs/dbraw/zinc/96/69/67/641966967.db2.gz GVBQJCNCMVSCNV-KBPBESRZSA-N 0 3 262.397 2.169 20 30 CEEDHN Nc1nc(Cl)cc(N=NC2CCCN3CCCC[C@@H]23)n1 ZINC000848408098 641980661 /nfs/dbraw/zinc/98/06/61/641980661.db2.gz FLJXTVOARGXNHU-JTQLQIEISA-N 0 3 294.790 2.128 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC/C=C\c1ccccc1 ZINC000848431566 641994394 /nfs/dbraw/zinc/99/43/94/641994394.db2.gz YPXWJVAMQWKOMK-YYRKOSNBSA-N 0 3 271.364 2.227 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2coc(CC3CC3)n2)C1 ZINC001015918810 642078138 /nfs/dbraw/zinc/07/81/38/642078138.db2.gz 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288.435 2.422 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2sccc2F)[C@H]1CC ZINC001087562530 805747783 /nfs/dbraw/zinc/74/77/83/805747783.db2.gz DDFGUHNXSWBJSX-QWHCGFSZSA-N 0 3 294.395 2.493 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]cc2C)[C@H]1CC ZINC001087827470 805805624 /nfs/dbraw/zinc/80/56/24/805805624.db2.gz UKEVXIPDYCOPSA-UONOGXRCSA-N 0 3 261.369 2.092 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)C(F)=C3CCCC3)C[C@@H]2C1 ZINC001087933313 805858776 /nfs/dbraw/zinc/85/87/76/805858776.db2.gz JEKKLPAEKFSBNZ-CABCVRRESA-N 0 3 290.382 2.198 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@H]3CC=CCC3)C2)C1 ZINC001040062820 805889796 /nfs/dbraw/zinc/88/97/96/805889796.db2.gz GQPGKLXJHVHZSF-WMZOPIPTSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](C)C3CCCC3)C[C@@H]2C1 ZINC001088166411 805953909 /nfs/dbraw/zinc/95/39/09/805953909.db2.gz ZXTVKOVGOZNKGF-OIISXLGYSA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)[C@H](C)C(C)(C)C)C[C@@H]2C1 ZINC001271887922 806129142 /nfs/dbraw/zinc/12/91/42/806129142.db2.gz UVOBALKKAHBDNZ-YHUYYLMFSA-N 0 3 290.451 2.328 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(C)c(C)n1 ZINC001272068072 806410605 /nfs/dbraw/zinc/41/06/05/806410605.db2.gz UGUBIDJRPFVZTJ-UHFFFAOYSA-N 0 3 275.396 2.278 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001272092973 806508228 /nfs/dbraw/zinc/50/82/28/806508228.db2.gz LLRODLSBTGFNGU-MRXNPFEDSA-N 0 3 290.382 2.432 20 30 CEEDHN CC/C(C)=C/C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001126753269 806522501 /nfs/dbraw/zinc/52/25/01/806522501.db2.gz XOFTWFSKEITUJN-XYOKQWHBSA-N 0 3 289.354 2.259 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccn3c2CCCC3)[C@H]1C ZINC001088629665 806573649 /nfs/dbraw/zinc/57/36/49/806573649.db2.gz LBPYKTOZMHNSNF-HIFRSBDPSA-N 0 3 287.407 2.203 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)C2CCC2)[C@H]1C ZINC001088654838 806581569 /nfs/dbraw/zinc/58/15/69/806581569.db2.gz BAZVUPDQWNNQGN-GUTXKFCHSA-N 0 3 262.397 2.025 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)cc(C)n2)[C@H]1C ZINC001088689712 806613788 /nfs/dbraw/zinc/61/37/88/806613788.db2.gz DAJUUBLCZRXKNT-CABCVRRESA-N 0 3 287.407 2.467 20 30 CEEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)C(F)(F)F)CC1 ZINC001224075615 806658002 /nfs/dbraw/zinc/65/80/02/806658002.db2.gz PEDSBNUPPUOXBR-LLVKDONJSA-N 0 3 290.329 2.036 20 30 CEEDHN CC(C)C#CC(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001126827759 806706908 /nfs/dbraw/zinc/70/69/08/806706908.db2.gz BGFYRYKIROUAKE-UHFFFAOYSA-N 0 3 296.773 2.344 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3n[nH]cc32)[C@H]1C ZINC001088785475 806719863 /nfs/dbraw/zinc/71/98/63/806719863.db2.gz HJYKEXAQRBKWEP-DOMZBBRYSA-N 0 3 298.390 2.332 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(CCC)n[nH]2)[C@H]1C ZINC001088785180 806719071 /nfs/dbraw/zinc/71/90/71/806719071.db2.gz PPFFCMYTUCBJIK-OCCSQVGLSA-N 0 3 290.411 2.131 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3n[nH]cc3c2)[C@H]1C ZINC001088824472 806776303 /nfs/dbraw/zinc/77/63/03/806776303.db2.gz GWLBLWJOIXAOOO-DOMZBBRYSA-N 0 3 298.390 2.332 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C2CCC(=C)CC2)[C@H]1C ZINC001088835160 806868168 /nfs/dbraw/zinc/86/81/68/806868168.db2.gz HHHAPYVJFCJGLR-HIFRSBDPSA-N 0 3 262.397 2.498 20 30 CEEDHN C=C(C)CN1CCC(N2C(=O)CN([C@@H](C)CC)C2=O)CC1 ZINC000348383147 806964601 /nfs/dbraw/zinc/96/46/01/806964601.db2.gz AMDQSJAFHWBPFP-ZDUSSCGKSA-N 0 3 293.411 2.090 20 30 CEEDHN Cc1ccc(CCC(=O)C(C#N)C(=O)NC2CC2)c(C)c1 ZINC000129301369 806977733 /nfs/dbraw/zinc/97/77/33/806977733.db2.gz XBFVUTRYACBYMV-OAHLLOKOSA-N 0 3 284.359 2.224 20 30 CEEDHN CN1CCC(=Nc2sc3c(c2C#N)CCN(C)C3)CC1 ZINC001208717413 802402671 /nfs/dbraw/zinc/40/26/71/802402671.db2.gz DDIVLMQKJAKRHW-UHFFFAOYSA-N 0 3 288.420 2.239 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCN(CC=C(C)C)C1 ZINC001266333623 802450816 /nfs/dbraw/zinc/45/08/16/802450816.db2.gz QRHAGXXIDGVQTN-WBVHZDCISA-N 0 3 294.439 2.372 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(CC=C(C)C)C1 ZINC001266333840 802451080 /nfs/dbraw/zinc/45/10/80/802451080.db2.gz UYGWDLYYNIWTPX-CYBMUJFWSA-N 0 3 250.386 2.355 20 30 CEEDHN C#CCCN(C)CCNC(=O)C[C@@H](C)c1ccccc1 ZINC001266356630 802482520 /nfs/dbraw/zinc/48/25/20/802482520.db2.gz FJZBFRBTYCIHBL-OAHLLOKOSA-N 0 3 272.392 2.252 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCOc2ccccc2)C1 ZINC001266358922 802486671 /nfs/dbraw/zinc/48/66/71/802486671.db2.gz JJHAGDUTPVWFSP-OAHLLOKOSA-N 0 3 288.391 2.222 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)C2(C)CCCC2)C1 ZINC001266523737 802673539 /nfs/dbraw/zinc/67/35/39/802673539.db2.gz UFVFNZQDFLIERI-AWEZNQCLSA-N 0 3 262.397 2.028 20 30 CEEDHN C#CCNCCN(C)C(=O)C1(c2cccc(C)c2)CCC1 ZINC001266796555 802904220 /nfs/dbraw/zinc/90/42/20/802904220.db2.gz PIKROWOHVLWQHB-UHFFFAOYSA-N 0 3 284.403 2.098 20 30 CEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001266810078 802914493 /nfs/dbraw/zinc/91/44/93/802914493.db2.gz DSPJKZCNLYOORY-FVQHAEBGSA-N 0 3 297.402 2.152 20 30 CEEDHN CC#CCN[C@H](C)CNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001266939556 803011690 /nfs/dbraw/zinc/01/16/90/803011690.db2.gz KFDBVUXLJPCQOQ-CYBMUJFWSA-N 0 3 287.407 2.110 20 30 CEEDHN CC#CCN[C@H](C)CNC(=O)c1csc(Cl)c1 ZINC001266975149 803032277 /nfs/dbraw/zinc/03/22/77/803032277.db2.gz KSJSSAFBKVPHLD-SECBINFHSA-N 0 3 270.785 2.133 20 30 CEEDHN CC#CCN[C@H](C)CNC(=O)c1ccc(OC)cc1Cl ZINC001266979535 803033845 /nfs/dbraw/zinc/03/38/45/803033845.db2.gz IMUQIXQFKDVPFT-LLVKDONJSA-N 0 3 294.782 2.080 20 30 CEEDHN Cc1cncc(CN[C@H]2CCN(C(=O)C#CC(C)(C)C)C2)c1 ZINC001267010429 803054448 /nfs/dbraw/zinc/05/44/48/803054448.db2.gz WMXCRFQNWDGGJE-INIZCTEOSA-N 0 3 299.418 2.130 20 30 CEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C)oc2C)C1 ZINC001267099721 803124129 /nfs/dbraw/zinc/12/41/29/803124129.db2.gz CAZLHVWTEROUMZ-OAHLLOKOSA-N 0 3 288.391 2.456 20 30 CEEDHN CC(C)=C(F)C(=O)NCCNCc1cccc(C#N)c1 ZINC001125619677 803186835 /nfs/dbraw/zinc/18/68/35/803186835.db2.gz GGXQQQSYGMFIKV-UHFFFAOYSA-N 0 3 275.327 2.027 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001267205406 803231043 /nfs/dbraw/zinc/23/10/43/803231043.db2.gz YVPMSNNBTXNRAB-MELADBBJSA-N 0 3 250.386 2.047 20 30 CEEDHN SCCCNc1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001171004090 813738170 /nfs/dbraw/zinc/73/81/70/813738170.db2.gz PYMKDTZPBFTRKO-GFCCVEGCSA-N 0 3 278.425 2.018 20 30 CEEDHN C=CCN(C)CCNC(=O)c1cnn(CCC)c1C1CC1 ZINC001267224364 803251966 /nfs/dbraw/zinc/25/19/66/803251966.db2.gz AAUOKCOHZWLJIE-UHFFFAOYSA-N 0 3 290.411 2.018 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)[C@@H](C)C1CCCC1 ZINC001267225905 803253745 /nfs/dbraw/zinc/25/37/45/803253745.db2.gz HDCMJMBJFVQPFN-ZDUSSCGKSA-N 0 3 252.402 2.437 20 30 CEEDHN C=C[C@@H](C(=O)NCCN(C)C[C@@H](C)OC)c1ccccc1 ZINC001267230905 803261648 /nfs/dbraw/zinc/26/16/48/803261648.db2.gz HTVKHZMKUZOEQG-GDBMZVCRSA-N 0 3 290.407 2.039 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1(F)CCCC1 ZINC001267270815 803317857 /nfs/dbraw/zinc/31/78/57/803317857.db2.gz MLVKVXWQRMFDOX-ZDUSSCGKSA-N 0 3 268.376 2.425 20 30 CEEDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1cncc(C#N)c1 ZINC000721556239 803332289 /nfs/dbraw/zinc/33/22/89/803332289.db2.gz JXXRZEPENYVNTE-CZUORRHYSA-N 0 3 273.380 2.469 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001267310555 803354794 /nfs/dbraw/zinc/35/47/94/803354794.db2.gz XXGQHOHCZHLABB-UONOGXRCSA-N 0 3 288.366 2.001 20 30 CEEDHN C=C(C)CN[C@@H](CNC(=O)[C@H](C)COC)c1ccccc1 ZINC001267350708 803400072 /nfs/dbraw/zinc/40/00/72/803400072.db2.gz HDYKFPJSZJLZHD-ZBFHGGJFSA-N 0 3 290.407 2.292 20 30 CEEDHN C=CCN[C@H](CNC(=O)C#CC(C)C)c1ccccc1 ZINC001267356340 803403579 /nfs/dbraw/zinc/40/35/79/803403579.db2.gz DAKGBGCNRIODMA-MRXNPFEDSA-N 0 3 270.376 2.279 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccnn1C(F)F ZINC001038291601 803437635 /nfs/dbraw/zinc/43/76/35/803437635.db2.gz WVEWMKIFZLTOFZ-LLVKDONJSA-N 0 3 298.337 2.049 20 30 CEEDHN C=C(C)CN[C@@H](CNC(=O)CCOC)c1ccccc1 ZINC001267518110 803521407 /nfs/dbraw/zinc/52/14/07/803521407.db2.gz RYMOZGNOXPPSAF-HNNXBMFYSA-N 0 3 276.380 2.046 20 30 CEEDHN C#CCCN[C@@H](CNC(=O)c1oncc1C)c1ccccc1 ZINC001267524720 803525885 /nfs/dbraw/zinc/52/58/85/803525885.db2.gz FLCTVEBLRZGDLJ-HNNXBMFYSA-N 0 3 297.358 2.067 20 30 CEEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccn(C(C)C)c1C ZINC001283666614 803559588 /nfs/dbraw/zinc/55/95/88/803559588.db2.gz RXTUUZIDEJXYHD-CQSZACIVSA-N 0 3 289.423 2.451 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)Cc2ccccc2)C1 ZINC001267734535 803682972 /nfs/dbraw/zinc/68/29/72/803682972.db2.gz MYAPWGXNMQSNGQ-WBVHZDCISA-N 0 3 284.403 2.079 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccoc3)[C@@H]2C1 ZINC001075546297 803712705 /nfs/dbraw/zinc/71/27/05/803712705.db2.gz SBVDATVRTIQBGX-GXTWGEPZSA-N 0 3 260.337 2.002 20 30 CEEDHN C[C@@H](C#N)C(=O)N(C)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001267758195 803713952 /nfs/dbraw/zinc/71/39/52/803713952.db2.gz AJIIYMCWWONAKH-DZGCQCFKSA-N 0 3 275.396 2.179 20 30 CEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)/C(C)=C/CC)C1 ZINC001267760670 803715792 /nfs/dbraw/zinc/71/57/92/803715792.db2.gz WYUPVFIJVGALHQ-LULHVWEPSA-N 0 3 280.412 2.078 20 30 CEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)C2(C)CCCC2)C1 ZINC001267768921 803721406 /nfs/dbraw/zinc/72/14/06/803721406.db2.gz SVKRWGPNTFMZIK-OAHLLOKOSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H](C=C)CC)C1 ZINC001267770582 803722968 /nfs/dbraw/zinc/72/29/68/803722968.db2.gz NTDGPKGTFXZWJY-ZIAGYGMSSA-N 0 3 250.386 2.307 20 30 CEEDHN C=C(C)CCC(=O)N[C@@](C)(CNCCF)C1CC1 ZINC001267853829 803777923 /nfs/dbraw/zinc/77/79/23/803777923.db2.gz SEOLCSMQWXLZGS-AWEZNQCLSA-N 0 3 256.365 2.187 20 30 CEEDHN C#CCCCCC(=O)NCCNCc1sc(C)nc1C ZINC001125967294 803930164 /nfs/dbraw/zinc/93/01/64/803930164.db2.gz PSAIOIYURQQBIK-UHFFFAOYSA-N 0 3 293.436 2.159 20 30 CEEDHN C=C[C@@H](COC)NCCC(=O)Nc1ccc(Cl)cc1 ZINC001118091453 814984330 /nfs/dbraw/zinc/98/43/30/814984330.db2.gz XAYLWUHOWZQUPS-LBPRGKRZSA-N 0 3 282.771 2.459 20 30 CEEDHN C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001075565695 804056909 /nfs/dbraw/zinc/05/69/09/804056909.db2.gz VKYVYWLGWBUMMD-DZGCQCFKSA-N 0 3 286.375 2.115 20 30 CEEDHN C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001075565695 804056919 /nfs/dbraw/zinc/05/69/19/804056919.db2.gz VKYVYWLGWBUMMD-DZGCQCFKSA-N 0 3 286.375 2.115 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C)ccc2F)C1 ZINC001027593788 804143174 /nfs/dbraw/zinc/14/31/74/804143174.db2.gz QIKXAMRCIVZUFY-CQSZACIVSA-N 0 3 288.366 2.304 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2ccsc2C)C1 ZINC001027604604 804149214 /nfs/dbraw/zinc/14/92/14/804149214.db2.gz RCEYRFKDZVHTEK-OAHLLOKOSA-N 0 3 290.432 2.155 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2csc(C)c2)C1 ZINC001027617457 804158961 /nfs/dbraw/zinc/15/89/61/804158961.db2.gz RXMNOVOICPZIKC-CQSZACIVSA-N 0 3 276.405 2.226 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CC(C2CC2)C2CC2)C1 ZINC001027692075 804195364 /nfs/dbraw/zinc/19/53/64/804195364.db2.gz AHBLQXNTXZVCSJ-INIZCTEOSA-N 0 3 288.435 2.369 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001027927612 804346336 /nfs/dbraw/zinc/34/63/36/804346336.db2.gz VNSNXTRUASFIFE-CQSZACIVSA-N 0 3 285.391 2.110 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001027982439 804379292 /nfs/dbraw/zinc/37/92/92/804379292.db2.gz QTNCRTCEUNAGCS-HNNXBMFYSA-N 0 3 287.407 2.469 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC001028002039 804390078 /nfs/dbraw/zinc/39/00/78/804390078.db2.gz OGXQXNNENFOTSA-HNNXBMFYSA-N 0 3 299.418 2.423 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1nc(C)n2ccccc12 ZINC001028026007 804399486 /nfs/dbraw/zinc/39/94/86/804399486.db2.gz XUGAYRBXQHHRIZ-AWEZNQCLSA-N 0 3 298.390 2.023 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1coc(C(F)F)c1 ZINC001028098587 804454158 /nfs/dbraw/zinc/45/41/58/804454158.db2.gz BZRCYVMAIMMZPT-GFCCVEGCSA-N 0 3 296.317 2.435 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001028148323 804497243 /nfs/dbraw/zinc/49/72/43/804497243.db2.gz BMFFBWZDFKGEHI-YESZJQIVSA-N 0 3 299.418 2.342 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)c1occc1C(C)C ZINC001268246786 804570604 /nfs/dbraw/zinc/57/06/04/804570604.db2.gz ALTGXZDVOXADCN-UHFFFAOYSA-N 0 3 276.380 2.430 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)CCN2C ZINC001028249219 804613329 /nfs/dbraw/zinc/61/33/29/804613329.db2.gz QOERTOIDZYCSAB-INIZCTEOSA-N 0 3 299.418 2.059 20 30 CEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)CCNCc1cc(F)ccc1F ZINC001268348064 804623833 /nfs/dbraw/zinc/62/38/33/804623833.db2.gz FYAAWDCXOUTJNF-QWRGUYRKSA-N 0 3 295.333 2.109 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001028280784 804665585 /nfs/dbraw/zinc/66/55/85/804665585.db2.gz WDBADXJRAGEGFS-INIZCTEOSA-N 0 3 270.376 2.213 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc(N(C)C)c1 ZINC001028284206 804678238 /nfs/dbraw/zinc/67/82/38/804678238.db2.gz BEKRNBOOILVMPR-INIZCTEOSA-N 0 3 287.407 2.133 20 30 CEEDHN C[C@@H]1C[C@H](NCCC#N)CN(Cc2ccccc2)C1 ZINC000425988203 804732730 /nfs/dbraw/zinc/73/27/30/804732730.db2.gz FGKOJYLPDVVLJS-ZBFHGGJFSA-N 0 3 257.381 2.400 20 30 CEEDHN C#CCNCCN(CC)C(=O)C(C)(C)c1ccccc1 ZINC001268498705 804768740 /nfs/dbraw/zinc/76/87/40/804768740.db2.gz WPUOCLIPDOYCMQ-UHFFFAOYSA-N 0 3 272.392 2.036 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2csc(C)c2C)C1 ZINC001028565406 804840797 /nfs/dbraw/zinc/84/07/97/804840797.db2.gz BKYNILJQNBYFEX-AWEZNQCLSA-N 0 3 290.432 2.440 20 30 CEEDHN C#CCN1CCC(CNC(=O)C(C)(C)C(C)(F)F)CC1 ZINC001225292028 804857950 /nfs/dbraw/zinc/85/79/50/804857950.db2.gz LFORKYZHKKOUSZ-UHFFFAOYSA-N 0 3 286.366 2.129 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CNC/C=C\Cl ZINC001268703517 804934093 /nfs/dbraw/zinc/93/40/93/804934093.db2.gz NRQPKPLSBMKYTQ-ZFVKQSTNSA-N 0 3 258.793 2.436 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CNCc2ccccn2)C1 ZINC001268703674 804934132 /nfs/dbraw/zinc/93/41/32/804934132.db2.gz PQLYGQQTOKTOJG-ZDUSSCGKSA-N 0 3 273.380 2.032 20 30 CEEDHN C=CCN(C)C[C@@H](C)NC(=O)C[C@@H](C)n1cccc1 ZINC001268753146 804959229 /nfs/dbraw/zinc/95/92/29/804959229.db2.gz RRZWDMFDDQPZNJ-ZIAGYGMSSA-N 0 3 263.385 2.062 20 30 CEEDHN CN(CCCNCc1ccc(C#N)cc1F)C(=O)C1CC1 ZINC001268770957 804967373 /nfs/dbraw/zinc/96/73/73/804967373.db2.gz ALFZYTOBKFFDMW-UHFFFAOYSA-N 0 3 289.354 2.045 20 30 CEEDHN C=CC(C)(C)C(=O)N(C)CCCNCc1conc1CC ZINC001268813408 804979394 /nfs/dbraw/zinc/97/93/94/804979394.db2.gz VLJZFTNTUDCWAV-UHFFFAOYSA-N 0 3 293.411 2.387 20 30 CEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ocnc1CC ZINC001268842321 804986265 /nfs/dbraw/zinc/98/62/65/804986265.db2.gz FAUHUIYFQVYJHH-UHFFFAOYSA-N 0 3 285.775 2.041 20 30 CEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)COCCCC ZINC001268935286 805008183 /nfs/dbraw/zinc/00/81/83/805008183.db2.gz SGDQZNRXHWFYHO-JYJNAYRXSA-N 0 3 294.439 2.443 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)CCc2ccc(C)s2)C1 ZINC001269202776 805078124 /nfs/dbraw/zinc/07/81/24/805078124.db2.gz ANBGSVGUALMTCQ-CQSZACIVSA-N 0 3 290.432 2.203 20 30 CEEDHN CC#CCNC1(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001269456439 805169135 /nfs/dbraw/zinc/16/91/35/805169135.db2.gz UTOYBTPIFFUJKY-QDMKHBRRSA-N 0 3 274.408 2.074 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2csc(C)c2)C1 ZINC001028869849 805325646 /nfs/dbraw/zinc/32/56/46/805325646.db2.gz GYOVCYWHJROQBT-ZDUSSCGKSA-N 0 3 276.405 2.132 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cccc(Cl)c2)C1 ZINC001028948861 805378701 /nfs/dbraw/zinc/37/87/01/805378701.db2.gz VHJOFBJZYKJZES-ZDUSSCGKSA-N 0 3 290.794 2.415 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccnc2)[C@H]1CC ZINC001087481507 805547370 /nfs/dbraw/zinc/54/73/70/805547370.db2.gz PVCFPBCVCPBXLA-LSDHHAIUSA-N 0 3 273.380 2.240 20 30 CEEDHN CC(=O)NC[C@]12CCC[C@H]1N(CC#Cc1ccccc1)CC2 ZINC001094342883 815087397 /nfs/dbraw/zinc/08/73/97/815087397.db2.gz XRBXCKACMIQFIN-RTBURBONSA-N 0 3 296.414 2.419 20 30 CEEDHN CC#CCN1CCC2(CCN(C(=O)/C(C)=C\C)C2)CC1 ZINC001040658797 807195897 /nfs/dbraw/zinc/19/58/97/807195897.db2.gz QIKHJQOLDXNFNY-WCSRMQSCSA-N 0 3 274.408 2.290 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)[C@H]1C ZINC001088912474 807271960 /nfs/dbraw/zinc/27/19/60/807271960.db2.gz ZYXVKMOJLKCKHY-BEAPCOKYSA-N 0 3 262.397 2.188 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2csc(C)c2)[C@H]1C ZINC001088922177 807278009 /nfs/dbraw/zinc/27/80/09/807278009.db2.gz XALLRHJFRKEZEM-OCCSQVGLSA-N 0 3 276.405 2.272 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)C1CC1)C2 ZINC001045926536 807293631 /nfs/dbraw/zinc/29/36/31/807293631.db2.gz GGXYINFQKTZTOX-QAPCUYQASA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C(C2CC2)C2CC2)[C@H]1C ZINC001088968592 807298675 /nfs/dbraw/zinc/29/86/75/807298675.db2.gz DZQNZWZQEBDQJB-RISCZKNCSA-N 0 3 262.397 2.188 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccccc2OC)[C@H]1C ZINC001089025145 807316519 /nfs/dbraw/zinc/31/65/19/807316519.db2.gz QAAKXVYNSBQIAO-HIFRSBDPSA-N 0 3 288.391 2.003 20 30 CEEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCC(C)(C)CN1CCO ZINC001099093060 807326027 /nfs/dbraw/zinc/32/60/27/807326027.db2.gz LTDSPQDZHGCEDV-AWEZNQCLSA-N 0 3 296.455 2.188 20 30 CEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3oncc3C)CCC[C@H]12 ZINC000992366604 807486577 /nfs/dbraw/zinc/48/65/77/807486577.db2.gz GALXJNHWEASPSI-XJKSGUPXSA-N 0 3 289.379 2.286 20 30 CEEDHN CN1CC[C@@H](Oc2cnc3ccccc3c2C#N)C1 ZINC001234856663 807720222 /nfs/dbraw/zinc/72/02/22/807720222.db2.gz AMBKJIRRLOVHGS-LLVKDONJSA-N 0 3 253.305 2.189 20 30 CEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)CCc1ccco1 ZINC001272649850 807873688 /nfs/dbraw/zinc/87/36/88/807873688.db2.gz ZZBFPAYHCLWLPS-GFCCVEGCSA-N 0 3 284.787 2.449 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccncc2C)CC(C)(C)C1 ZINC001089370657 807943519 /nfs/dbraw/zinc/94/35/19/807943519.db2.gz SLGMFLCQXSKTSJ-OAHLLOKOSA-N 0 3 299.418 2.244 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CCC2(F)F)CC(C)(C)C1 ZINC001089416782 807962797 /nfs/dbraw/zinc/96/27/97/807962797.db2.gz PPQRYEPAIYUYGO-CHWSQXEVSA-N 0 3 298.377 2.272 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1 ZINC000130580441 807973078 /nfs/dbraw/zinc/97/30/78/807973078.db2.gz PVXCRLFFEIJYQI-TZMCWYRMSA-N 0 3 272.348 2.414 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)C3(CF)CCC3)C2)CC1 ZINC001040855428 808041129 /nfs/dbraw/zinc/04/11/29/808041129.db2.gz JLEDSIQBRPQRHK-UHFFFAOYSA-N 0 3 292.398 2.074 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001089683248 808096011 /nfs/dbraw/zinc/09/60/11/808096011.db2.gz PJCUIWLXXZYTGK-IHRRRGAJSA-N 0 3 264.413 2.435 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2cc3ncccc3o2)C1 ZINC001031854870 808172064 /nfs/dbraw/zinc/17/20/64/808172064.db2.gz SCUDGXXKRUJVHD-UHFFFAOYSA-N 0 3 285.347 2.066 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001032229837 808347049 /nfs/dbraw/zinc/34/70/49/808347049.db2.gz MZRQQRMZEFZICG-UHFFFAOYSA-N 0 3 290.411 2.010 20 30 CEEDHN Cc1cccc2c1CC[C@@H](N1CCN(CCC#N)CC1)C2 ZINC001171571439 815199240 /nfs/dbraw/zinc/19/92/40/815199240.db2.gz YENNWQKLPZSWKH-QGZVFWFLSA-N 0 3 283.419 2.384 20 30 CEEDHN CC(=O)N1CC[C@H]([C@@H](C)NCc2cc(F)ccc2C#N)C1 ZINC001047655249 808468667 /nfs/dbraw/zinc/46/86/67/808468667.db2.gz MABHYVBYNXNPDL-RISCZKNCSA-N 0 3 289.354 2.044 20 30 CEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1scnc1C ZINC001272787574 808665967 /nfs/dbraw/zinc/66/59/67/808665967.db2.gz HLTQAHXSSJURAS-CHWSQXEVSA-N 0 3 291.420 2.203 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c([nH]1)CCCC2 ZINC001032719057 808798816 /nfs/dbraw/zinc/79/88/16/808798816.db2.gz UFYMMJOMZWMMRG-GJZGRUSLSA-N 0 3 299.418 2.368 20 30 CEEDHN C=C(C)CCC(=O)NCCNCc1scnc1C ZINC001128404928 809044752 /nfs/dbraw/zinc/04/47/52/809044752.db2.gz JXLACOTUJXWSFQ-UHFFFAOYSA-N 0 3 267.398 2.014 20 30 CEEDHN N#Cc1ccc(C2(N[C@H]3CCN(C4CC4)C(=O)C3)CC2)cc1 ZINC001172008575 815262803 /nfs/dbraw/zinc/26/28/03/815262803.db2.gz JFNVAWVVZNAGLX-HNNXBMFYSA-N 0 3 295.386 2.290 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cscc2C)C1 ZINC001032988193 809135236 /nfs/dbraw/zinc/13/52/36/809135236.db2.gz WFWSZGPIZCCIAI-CYBMUJFWSA-N 0 3 276.405 2.226 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccncc2C)C1 ZINC001033082985 809171114 /nfs/dbraw/zinc/17/11/14/809171114.db2.gz WNDYULDBLWXNGJ-MRXNPFEDSA-N 0 3 287.407 2.041 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc3cc[nH]c3n2)C1 ZINC001033168187 809209744 /nfs/dbraw/zinc/20/97/44/809209744.db2.gz OGLPHTBOEBUBHY-AWEZNQCLSA-N 0 3 298.390 2.285 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@H]2C=CCCC2)C1 ZINC001033181883 809225662 /nfs/dbraw/zinc/22/56/62/809225662.db2.gz KFDCOZZOBIXJKM-HOTGVXAUSA-N 0 3 274.408 2.289 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001033330558 809271212 /nfs/dbraw/zinc/27/12/12/809271212.db2.gz XPWNIMDIZPGYBL-LSDHHAIUSA-N 0 3 262.397 2.452 20 30 CEEDHN C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1[O-])C2 ZINC001094864078 815280090 /nfs/dbraw/zinc/28/00/90/815280090.db2.gz FNDBTRLOLSUBMA-IHRRRGAJSA-N 0 3 286.375 2.161 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001033563859 809341437 /nfs/dbraw/zinc/34/14/37/809341437.db2.gz WESKGYPMWRKAQK-CABCVRRESA-N 0 3 274.408 2.123 20 30 CEEDHN C=CCN1CC[C@H](N(C)C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001033572873 809343064 /nfs/dbraw/zinc/34/30/64/809343064.db2.gz ZCRLBBOSKUTPOY-ZDUSSCGKSA-N 0 3 290.411 2.174 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccccc2)C1 ZINC001033599670 809354040 /nfs/dbraw/zinc/35/40/40/809354040.db2.gz RSJOKUKHYVXHOO-NVXWUHKLSA-N 0 3 284.403 2.346 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(C)ccc2C)C1 ZINC001033618748 809362982 /nfs/dbraw/zinc/36/29/82/809362982.db2.gz XKGFNBQJNJYJPX-INIZCTEOSA-N 0 3 284.403 2.473 20 30 CEEDHN CCC(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001044889051 809364775 /nfs/dbraw/zinc/36/47/75/809364775.db2.gz ORLXMLXDRVTHDV-NSHDSACASA-N 0 3 277.393 2.110 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc(OC)c2)C1 ZINC001033614544 809365765 /nfs/dbraw/zinc/36/57/65/809365765.db2.gz UMJCOROVIPWHCJ-HNNXBMFYSA-N 0 3 288.391 2.418 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccc(C)nc2)C1 ZINC001033660476 809376519 /nfs/dbraw/zinc/37/65/19/809376519.db2.gz HFZVVROEPMMUGO-INIZCTEOSA-N 0 3 287.407 2.041 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C)c(C)o2)C1 ZINC001033802894 809424790 /nfs/dbraw/zinc/42/47/90/809424790.db2.gz OMEZDMXGBVBEEJ-OAHLLOKOSA-N 0 3 288.391 2.456 20 30 CEEDHN C=CCN1CC[C@H](N(CC)C(=O)c2cccc3cn[nH]c32)C1 ZINC001033916240 809452159 /nfs/dbraw/zinc/45/21/59/809452159.db2.gz MRFURAUFYWJXFQ-AWEZNQCLSA-N 0 3 298.390 2.285 20 30 CEEDHN C=CCN1CC[C@H](N(CC)C(=O)c2cccc3c[nH]nc32)C1 ZINC001033916240 809452163 /nfs/dbraw/zinc/45/21/63/809452163.db2.gz MRFURAUFYWJXFQ-AWEZNQCLSA-N 0 3 298.390 2.285 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(C)n2C)C1 ZINC001034099369 809510840 /nfs/dbraw/zinc/51/08/40/809510840.db2.gz BVXXXSOVHLWTAJ-AWEZNQCLSA-N 0 3 275.396 2.104 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001034146608 809533019 /nfs/dbraw/zinc/53/30/19/809533019.db2.gz MHNVAUWJFGPTKC-OCCSQVGLSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001034261276 809565205 /nfs/dbraw/zinc/56/52/05/809565205.db2.gz UUEOSMGDEPXVJK-RYUDHWBXSA-N 0 3 272.339 2.188 20 30 CEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccncc2CC)C1 ZINC001034284425 809570801 /nfs/dbraw/zinc/57/08/01/809570801.db2.gz KJLIPAQUULHXLR-MRXNPFEDSA-N 0 3 299.418 2.252 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2c(C)cncc2C)C1 ZINC001034308028 809574876 /nfs/dbraw/zinc/57/48/76/809574876.db2.gz ROSRMNXHEBDMKU-HNNXBMFYSA-N 0 3 287.407 2.469 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2CCc3cccnc32)C1 ZINC001034365127 809592288 /nfs/dbraw/zinc/59/22/88/809592288.db2.gz PHRHENPXHDLFAZ-JKSUJKDBSA-N 0 3 299.418 2.268 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC001034376216 809593033 /nfs/dbraw/zinc/59/30/33/809593033.db2.gz KOEMZNMEXKARPV-CQSZACIVSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccn(C)c2CC)C1 ZINC001034395769 809600589 /nfs/dbraw/zinc/60/05/89/809600589.db2.gz CGHWDMIGBDJIDH-AWEZNQCLSA-N 0 3 289.423 2.358 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)c2cccnc2)C1 ZINC001034490922 809616615 /nfs/dbraw/zinc/61/66/15/809616615.db2.gz NYAPLCWTRSKBNK-HOCLYGCPSA-N 0 3 287.407 2.342 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCCN(CC(=C)C)C2)nc1 ZINC001034492313 809617187 /nfs/dbraw/zinc/61/71/87/809617187.db2.gz BYILKXSPIHVCDD-MRXNPFEDSA-N 0 3 297.402 2.223 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001045480107 809633176 /nfs/dbraw/zinc/63/31/76/809633176.db2.gz MNYQCRYCYOINGE-XHSDSOJGSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)C2CCC(OC)CC2)CC1 ZINC001045540942 809665358 /nfs/dbraw/zinc/66/53/58/809665358.db2.gz KCWQEHSRORUIRO-UHFFFAOYSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCC1(C(=O)NCCNCc2ccc(C)nc2C)CCC1 ZINC001129120855 809764280 /nfs/dbraw/zinc/76/42/80/809764280.db2.gz HCTJIPFCCIQVSX-UHFFFAOYSA-N 0 3 299.418 2.098 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccoc1)CC2 ZINC001035648164 809796636 /nfs/dbraw/zinc/79/66/36/809796636.db2.gz HMJYGDVKFWMGQE-UHFFFAOYSA-N 0 3 274.364 2.394 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@H]1CCCO1)CC2 ZINC001035656978 809798916 /nfs/dbraw/zinc/79/89/16/809798916.db2.gz YUQXALQCRXSUEW-OAHLLOKOSA-N 0 3 292.423 2.056 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C=C(C)C)CC2 ZINC001035643106 809799653 /nfs/dbraw/zinc/79/96/53/809799653.db2.gz YESNUYHGVOPXTP-UHFFFAOYSA-N 0 3 262.397 2.453 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]1C(C)C)CC2 ZINC001035830571 809821986 /nfs/dbraw/zinc/82/19/86/809821986.db2.gz RDSHQKZNWZZWIF-HZPDHXFCSA-N 0 3 288.435 2.226 20 30 CEEDHN C#CC1(O)CCN(CCSc2ccccc2)CC1 ZINC000708158784 809922555 /nfs/dbraw/zinc/92/25/55/809922555.db2.gz LJEXXNMRBFNQJJ-UHFFFAOYSA-N 0 3 261.390 2.239 20 30 CEEDHN C=CCOc1ccc(CN[C@@H]2CCC2(OC)OC)cc1 ZINC000711420704 810069852 /nfs/dbraw/zinc/06/98/52/810069852.db2.gz TWDMTTWYDDQTTC-OAHLLOKOSA-N 0 3 277.364 2.493 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001015024920 810253446 /nfs/dbraw/zinc/25/34/46/810253446.db2.gz DZWMZOQMHIDTLS-LBPRGKRZSA-N 0 3 254.349 2.035 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001015082347 810258737 /nfs/dbraw/zinc/25/87/37/810258737.db2.gz BRHRNRVSXSXUSB-ZDUSSCGKSA-N 0 3 298.390 2.252 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2cnc3cnccc3c2)C1 ZINC001015287377 810275342 /nfs/dbraw/zinc/27/53/42/810275342.db2.gz WEVZLGVYGNKUDD-HNNXBMFYSA-N 0 3 296.374 2.010 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001080500686 810290152 /nfs/dbraw/zinc/29/01/52/810290152.db2.gz BSXYKYAUZFUEFM-RDTXWAMCSA-N 0 3 298.430 2.414 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001080593077 810295140 /nfs/dbraw/zinc/29/51/40/810295140.db2.gz IBFDQHUHBCLTRX-FAAHXZRKSA-N 0 3 262.397 2.045 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001080754212 810305109 /nfs/dbraw/zinc/30/51/09/810305109.db2.gz CWKMMGWKSRPGEF-IJEWVQPXSA-N 0 3 276.424 2.273 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NC[C@H](C)Oc1ccccc1 ZINC001121847933 815360319 /nfs/dbraw/zinc/36/03/19/815360319.db2.gz DNODPHFXVJLJGR-DZGCQCFKSA-N 0 3 276.380 2.254 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2occc2CC)C1 ZINC001015663387 810327941 /nfs/dbraw/zinc/32/79/41/810327941.db2.gz HTQGORISZGWLKM-ZDUSSCGKSA-N 0 3 262.353 2.222 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1c1ccccc1 ZINC001081121179 810331127 /nfs/dbraw/zinc/33/11/27/810331127.db2.gz QDUMWRAVJKODFL-JKSUJKDBSA-N 0 3 282.387 2.004 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)NCCCNCc1conc1C ZINC001164346958 810357352 /nfs/dbraw/zinc/35/73/52/810357352.db2.gz ZAKQUNQFPHRIJB-GFCCVEGCSA-N 0 3 279.384 2.181 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@]2(C)C=CCC2)[C@H](OC)C1 ZINC001082035124 810362114 /nfs/dbraw/zinc/36/21/14/810362114.db2.gz VJRMYVRPXOQHPI-INMHGKMJSA-N 0 3 292.423 2.124 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)NCCCNCc1cnc(C)o1 ZINC001164360275 810362848 /nfs/dbraw/zinc/36/28/48/810362848.db2.gz HWLAJJCUQBUUTH-GFCCVEGCSA-N 0 3 279.384 2.181 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(C2CC2)CC1 ZINC001172307957 815364363 /nfs/dbraw/zinc/36/43/63/815364363.db2.gz IKGFOJAKQUAVTB-AWEZNQCLSA-N 0 3 269.392 2.269 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001016175796 810408892 /nfs/dbraw/zinc/40/88/92/810408892.db2.gz YEDSZXGQNXKMGC-SFHVURJKSA-N 0 3 296.414 2.393 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)c2ccccc2C)C1 ZINC001016412042 810435060 /nfs/dbraw/zinc/43/50/60/810435060.db2.gz NYRPDCGNCPSYJL-INIZCTEOSA-N 0 3 298.430 2.486 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cccc(F)c2)CC1 ZINC001016483138 810443371 /nfs/dbraw/zinc/44/33/71/810443371.db2.gz UQDJABWKMKFJMG-HNNXBMFYSA-N 0 3 286.350 2.043 20 30 CEEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3cc(C)no3)[C@@H]2C1 ZINC001084184348 810445218 /nfs/dbraw/zinc/44/52/18/810445218.db2.gz FFFNNYNFMDOYCS-ZIAGYGMSSA-N 0 3 289.379 2.096 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@]2(C)C=CCC2)CC1 ZINC001016770094 810467416 /nfs/dbraw/zinc/46/74/16/810467416.db2.gz DYSZNGFVEJRKPN-RDJZCZTQSA-N 0 3 286.419 2.337 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2CC23CCC3)CC1 ZINC001016859802 810474573 /nfs/dbraw/zinc/47/45/73/810474573.db2.gz NLIUUQPDVZHYPY-LSDHHAIUSA-N 0 3 286.419 2.171 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001016942399 810478325 /nfs/dbraw/zinc/47/83/25/810478325.db2.gz YBZGUDJFQPZZLP-BZUAXINKSA-N 0 3 288.435 2.417 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(CC)C[C@H]21 ZINC001084573820 810479560 /nfs/dbraw/zinc/47/95/60/810479560.db2.gz 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ZINC001122175903 815390182 /nfs/dbraw/zinc/39/01/82/815390182.db2.gz KEGCXFNZHZAAFU-OAHLLOKOSA-N 0 3 288.395 2.087 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(C(F)F)c(F)c2)C1 ZINC001019375936 810705316 /nfs/dbraw/zinc/70/53/16/810705316.db2.gz ZEIJQQOFYZDCRW-NSHDSACASA-N 0 3 296.292 2.201 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(OC)c(C3CC3)c2)C1 ZINC001019585976 810721031 /nfs/dbraw/zinc/72/10/31/810721031.db2.gz GMYRVMHEIVLKEL-HNNXBMFYSA-N 0 3 298.386 2.010 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC001019627292 810725464 /nfs/dbraw/zinc/72/54/64/810725464.db2.gz WLPVXIBTTXVGFP-ZFWWWQNUSA-N 0 3 296.370 2.360 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(C)c(C)c2Cl)C1 ZINC001019652831 810727303 /nfs/dbraw/zinc/72/73/03/810727303.db2.gz XRZHULWOZFKQRY-ZDUSSCGKSA-N 0 3 290.794 2.394 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc(F)c(F)cc2Cl)C1 ZINC001019732996 810735164 /nfs/dbraw/zinc/73/51/64/810735164.db2.gz ZNGURAUKVIQWRF-VIFPVBQESA-N 0 3 298.720 2.056 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccnc1 ZINC001085459876 810766918 /nfs/dbraw/zinc/76/69/18/810766918.db2.gz RTHKMJDFVKHUAL-OAHLLOKOSA-N 0 3 273.380 2.194 20 30 CEEDHN C=CCN1CCN([C@@H](C)CCO[C@@H](C)CC)CC1 ZINC001172340291 815396944 /nfs/dbraw/zinc/39/69/44/815396944.db2.gz JKSGJWZPTIIGNP-GJZGRUSLSA-N 0 3 254.418 2.384 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1CC=CC1 ZINC001085527413 810806707 /nfs/dbraw/zinc/80/67/07/810806707.db2.gz ZTGDWPWOBUUWCY-OAHLLOKOSA-N 0 3 262.397 2.452 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1 ZINC001085612428 810852093 /nfs/dbraw/zinc/85/20/93/810852093.db2.gz QYOPDRCBDTULPB-AWEZNQCLSA-N 0 3 261.369 2.127 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCN2CC(C)C)cc1 ZINC001038583149 810867525 /nfs/dbraw/zinc/86/75/25/810867525.db2.gz SRHGQGVTUGMWSL-INIZCTEOSA-N 0 3 270.376 2.128 20 30 CEEDHN C=C1CCC(C(=O)NC[C@@H]2CCN2C(C)C)CC1 ZINC001038665633 810882970 /nfs/dbraw/zinc/88/29/70/810882970.db2.gz FQFSCVRLNFOYOB-AWEZNQCLSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(OC)cc1C ZINC001038669141 810884675 /nfs/dbraw/zinc/88/46/75/810884675.db2.gz NJGGDMQIBCCRHE-AWEZNQCLSA-N 0 3 288.391 2.384 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc2nccn21 ZINC001085721179 810889995 /nfs/dbraw/zinc/88/99/95/810889995.db2.gz OPYBMSYVNREWCE-AWEZNQCLSA-N 0 3 298.390 2.057 20 30 CEEDHN C#Cc1cncc(C(=O)NC[C@H]2CCN2CCC(C)(C)C)c1 ZINC001038685586 810890105 /nfs/dbraw/zinc/89/01/05/810890105.db2.gz VOVZSZLPYQUJLT-MRXNPFEDSA-N 0 3 299.418 2.303 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCO[C@H]1CC ZINC001085734176 810894993 /nfs/dbraw/zinc/89/49/93/810894993.db2.gz ZYSTVKREWXBJLF-XHSDSOJGSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001038749661 810906093 /nfs/dbraw/zinc/90/60/93/810906093.db2.gz DPAXZTKKLDFKRJ-ZDUSSCGKSA-N 0 3 261.369 2.012 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cc2ccccn2c1 ZINC001038768364 810910367 /nfs/dbraw/zinc/91/03/67/810910367.db2.gz MVOKDMRJKYITPP-INIZCTEOSA-N 0 3 283.375 2.320 20 30 CEEDHN C#Cc1cncc(C(=O)N(C)C[C@H]2CCN2CC2CCC2)c1 ZINC001085810067 810925365 /nfs/dbraw/zinc/92/53/65/810925365.db2.gz TXVLJSWITHTZLA-QGZVFWFLSA-N 0 3 297.402 2.009 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccnc(C)c1 ZINC001085883989 810955128 /nfs/dbraw/zinc/95/51/28/810955128.db2.gz RKZFPJOWFNQVDN-OAHLLOKOSA-N 0 3 273.380 2.112 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c[nH]nc1C1CC1 ZINC001085904510 810964587 /nfs/dbraw/zinc/96/45/87/810964587.db2.gz GTUSOCRKADGUTQ-ZDUSSCGKSA-N 0 3 288.395 2.010 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccccc1N(C)C ZINC001039077844 810981934 /nfs/dbraw/zinc/98/19/34/810981934.db2.gz RCTLCWWIYSIVRF-CQSZACIVSA-N 0 3 287.407 2.133 20 30 CEEDHN CC[C@H](CC(F)(F)F)NC(=O)[C@H](N)CCCCC#N ZINC001122453888 815413032 /nfs/dbraw/zinc/41/30/32/815413032.db2.gz MLNGEGSEWVEAOF-NXEZZACHSA-N 0 3 279.306 2.245 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1 ZINC001039330380 811009966 /nfs/dbraw/zinc/00/99/66/811009966.db2.gz WWYUTQYUVTWHAY-CABCVRRESA-N 0 3 288.416 2.450 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc[nH]1 ZINC001039332531 811011198 /nfs/dbraw/zinc/01/11/98/811011198.db2.gz XCKSGGOHTOYIGK-KGLIPLIRSA-N 0 3 273.380 2.270 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(C)nc2)C1 ZINC001086030468 811012304 /nfs/dbraw/zinc/01/23/04/811012304.db2.gz DIBSOHZWLDKQTO-XBXGTLAGSA-N 0 3 293.798 2.241 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(C)C ZINC001039358423 811017488 /nfs/dbraw/zinc/01/74/88/811017488.db2.gz LXXHEMDJIYSLOM-QLFBSQMISA-N 0 3 274.408 2.121 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C ZINC001039418144 811025885 /nfs/dbraw/zinc/02/58/85/811025885.db2.gz RSZUYUQXDZWPBZ-APIJFGDWSA-N 0 3 262.397 2.284 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC001040035137 811077647 /nfs/dbraw/zinc/07/76/47/811077647.db2.gz FIYNSFDIVDTCMR-KRWDZBQOSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC001040058612 811081611 /nfs/dbraw/zinc/08/16/11/811081611.db2.gz 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C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)SC)C1 ZINC001111610096 814589133 /nfs/dbraw/zinc/58/91/33/814589133.db2.gz LINFWTNNAUIDNR-IPYPFGDCSA-N 0 3 282.453 2.285 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](C)CC)C2)CC1 ZINC001086905131 814647173 /nfs/dbraw/zinc/64/71/73/814647173.db2.gz UAFKPPONFBVJSO-GJZGRUSLSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](C)C3CC3)C2)CC1 ZINC001086913230 814649770 /nfs/dbraw/zinc/64/97/70/814649770.db2.gz KMDBTCPVVBMJIP-GJZGRUSLSA-N 0 3 288.435 2.369 20 30 CEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](F)CC)C2)CC1 ZINC001086936038 814653381 /nfs/dbraw/zinc/65/33/81/814653381.db2.gz GXOIFPDYSIAFPZ-CABCVRRESA-N 0 3 294.414 2.461 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C3(F)CCCC3)C[C@]2(C)C1 ZINC001091804911 814672301 /nfs/dbraw/zinc/67/23/01/814672301.db2.gz UZRIQMDZWMBKMV-ZBFHGGJFSA-N 0 3 292.398 2.072 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(C)(C)C(F)(F)F ZINC001115186015 814686584 /nfs/dbraw/zinc/68/65/84/814686584.db2.gz KKFLKDWAMULKHC-IAZYJMLFSA-N 0 3 290.329 2.197 20 30 CEEDHN C=C(Cl)CNC1(CNC(=O)[C@@H](C)C#N)CCCCC1 ZINC001115452370 814709233 /nfs/dbraw/zinc/70/92/33/814709233.db2.gz YOTXAIISOIEMQO-NSHDSACASA-N 0 3 283.803 2.307 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2cscc2Cl)[C@H](C)C1 ZINC001092704122 814726328 /nfs/dbraw/zinc/72/63/28/814726328.db2.gz IZUVTFRUIRSJEQ-GHMZBOCLSA-N 0 3 296.823 2.332 20 30 CEEDHN CN1CCN(C(=O)C2(C#N)CCCCC2)CCC1(C)C ZINC000712621426 814757214 /nfs/dbraw/zinc/75/72/14/814757214.db2.gz HDIYXRNLPHTJKG-UHFFFAOYSA-N 0 3 277.412 2.403 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2cccc3cc[nH]c32)[C@H](C)C1 ZINC001092989771 814761442 /nfs/dbraw/zinc/76/14/42/814761442.db2.gz QZCQIJGVRIXZOC-UKRRQHHQSA-N 0 3 295.386 2.099 20 30 CEEDHN C=CCOC1CCC(N2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001173321943 815674078 /nfs/dbraw/zinc/67/40/78/815674078.db2.gz SHAZLVBARHHHQM-ZMYVRHLSSA-N 0 3 251.370 2.363 20 30 CEEDHN Cc1nc2c(n1C1CCC(C)(C#N)CC1)CNCC2 ZINC001173597986 815756792 /nfs/dbraw/zinc/75/67/92/815756792.db2.gz LHKGWSOIMASLEW-UHFFFAOYSA-N 0 3 258.369 2.482 20 30 CEEDHN CC(=O)N1CCN(C2CCC(C)(C#N)CC2)[C@@H](C)C1 ZINC001173597984 815757479 /nfs/dbraw/zinc/75/74/79/815757479.db2.gz LCEWMQGBRIDLDQ-GRTSSRMGSA-N 0 3 263.385 2.011 20 30 CEEDHN CCOC(=O)C[C@H]1CC[C@@H](N(CC)CCC#N)C1 ZINC001173653637 815793263 /nfs/dbraw/zinc/79/32/63/815793263.db2.gz OZMDRTIBCHCAKQ-QWHCGFSZSA-N 0 3 252.358 2.344 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c1[O-] ZINC001138625718 815846869 /nfs/dbraw/zinc/84/68/69/815846869.db2.gz RXDZWPMRRJMIPB-WFASDCNBSA-N 0 3 261.365 2.466 20 30 CEEDHN C=CCc1cccc(C[N@H+]2[C@@H](C)CC[C@H]2CO)c1[O-] ZINC001138625718 815846878 /nfs/dbraw/zinc/84/68/78/815846878.db2.gz RXDZWPMRRJMIPB-WFASDCNBSA-N 0 3 261.365 2.466 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CCC[C@H](NC(C)=O)C2)c1[O-] ZINC001138629288 815848513 /nfs/dbraw/zinc/84/85/13/815848513.db2.gz TYBVRCMMXOUKNV-INIZCTEOSA-N 0 3 288.391 2.221 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)c1[O-] ZINC001138629288 815848516 /nfs/dbraw/zinc/84/85/16/815848516.db2.gz TYBVRCMMXOUKNV-INIZCTEOSA-N 0 3 288.391 2.221 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H](C)C(C)C)C1 ZINC001150394928 816076353 /nfs/dbraw/zinc/07/63/53/816076353.db2.gz NNEGSOONLLUZNV-LSDHHAIUSA-N 0 3 282.428 2.062 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)C[C@@H](C)n1cccc1 ZINC001139869769 816131041 /nfs/dbraw/zinc/13/10/41/816131041.db2.gz SOEZFRUXVPPJAH-OAHLLOKOSA-N 0 3 277.412 2.406 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CCCCS1 ZINC001139869291 816131447 /nfs/dbraw/zinc/13/14/47/816131447.db2.gz DOZFZQWYECJJBY-CYBMUJFWSA-N 0 3 270.442 2.238 20 30 CEEDHN C#CCN(C)Cc1c[nH]c2ncc(Br)cc12 ZINC001140459581 816258917 /nfs/dbraw/zinc/25/89/17/816258917.db2.gz GTLSKJLMQPXBSC-UHFFFAOYSA-N 0 3 278.153 2.390 20 30 CEEDHN N#Cc1ncc(Nc2ncc[nH]2)cc1C(F)(F)F ZINC001176081796 816336316 /nfs/dbraw/zinc/33/63/16/816336316.db2.gz FEPKKNYCDMZMSE-UHFFFAOYSA-N 0 3 253.187 2.439 20 30 CEEDHN C=CCN1CC[C@]2(CCCN(Cc3cnccc3C)C2)C1=O ZINC001141033182 816453180 /nfs/dbraw/zinc/45/31/80/816453180.db2.gz DTTLYIKUCHHVMQ-SFHVURJKSA-N 0 3 299.418 2.391 20 30 CEEDHN CCCN1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC001141166493 816493081 /nfs/dbraw/zinc/49/30/81/816493081.db2.gz RHDFXBPKYKYQFR-UHFFFAOYSA-N 0 3 261.344 2.225 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)CCc1c(C)c[nH]c1C ZINC001177593255 816588134 /nfs/dbraw/zinc/58/81/34/816588134.db2.gz UDMBEZMKGZVZME-HNNXBMFYSA-N 0 3 289.423 2.331 20 30 CEEDHN N#CC(Cc1cccs1)C(=O)Nc1ncnc2[nH]ccc21 ZINC001177904863 816641127 /nfs/dbraw/zinc/64/11/27/816641127.db2.gz SXMGDNSVBPEAAV-VIFPVBQESA-N 0 3 297.343 2.340 20 30 CEEDHN C[C@H](C#N)C(=O)NCCCCCCNCc1nccs1 ZINC001178050340 816664448 /nfs/dbraw/zinc/66/44/48/816664448.db2.gz PKXVDVYMMPGQJM-GFCCVEGCSA-N 0 3 294.424 2.069 20 30 CEEDHN C=CCCC(=O)N1CC[C@H](NCc2ccccn2)[C@@H]1C ZINC001178320216 816726338 /nfs/dbraw/zinc/72/63/38/816726338.db2.gz LKVUUJOIXDMZIW-ZFWWWQNUSA-N 0 3 273.380 2.127 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC(c2nc[nH]n2)CC1 ZINC000121178470 365532802 /nfs/dbraw/zinc/53/28/02/365532802.db2.gz FENSUNWXTWZTOX-UHFFFAOYSA-N 0 3 297.362 2.065 20 30 CEEDHN C=CCCOCCCCC(=O)N1CCN[C@H](C(C)C)C1 ZINC000621157098 349516122 /nfs/dbraw/zinc/51/61/22/349516122.db2.gz OFIRWWCXBABNCU-HNNXBMFYSA-N 0 3 282.428 2.206 20 30 CEEDHN CC(=O)N1CCCN(CCC2(C#N)CCCCC2)CC1 ZINC000336278395 365545687 /nfs/dbraw/zinc/54/56/87/365545687.db2.gz IZJDDUMVXLIMHX-UHFFFAOYSA-N 0 3 277.412 2.405 20 30 CEEDHN C=CCN(C)CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000121502469 365576573 /nfs/dbraw/zinc/57/65/73/365576573.db2.gz XDXSXHDOWDEQLU-UHFFFAOYSA-N 0 3 260.337 2.336 20 30 CEEDHN CN1CCC[C@@H](CNc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000124775821 187153398 /nfs/dbraw/zinc/15/33/98/187153398.db2.gz DYSGQSRCPGVASE-LBPRGKRZSA-N 0 3 274.324 2.220 20 30 CEEDHN CCc1nnc(N(C)C[C@H]2CCCN2C)c(C#N)c1CC ZINC000125005553 187165756 /nfs/dbraw/zinc/16/57/56/187165756.db2.gz NFOLYKQSUQBCRP-GFCCVEGCSA-N 0 3 287.411 2.003 20 30 CEEDHN C[C@H]1C[C@H](N(C)C(=O)C2(C#N)CCCC2)CCN1C ZINC000123888514 365642812 /nfs/dbraw/zinc/64/28/12/365642812.db2.gz SVKNDTKKMREHFG-QWHCGFSZSA-N 0 3 263.385 2.011 20 30 CEEDHN CN(C(=O)Nc1ccc2c(c1)CNCC2)[C@H]1CCC[C@@H]1C#N ZINC000601567675 346851892 /nfs/dbraw/zinc/85/18/92/346851892.db2.gz URXBSMULNSBRAG-CJNGLKHVSA-N 0 3 298.390 2.488 20 30 CEEDHN C[C@@H]1CN(C(=O)c2ccccc2CC#N)CCN(C2CC2)C1 ZINC000601601208 346857875 /nfs/dbraw/zinc/85/78/75/346857875.db2.gz IQKPXLUGNIQKDM-AWEZNQCLSA-N 0 3 297.402 2.309 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000125420015 187184350 /nfs/dbraw/zinc/18/43/50/187184350.db2.gz VQRBWUURDQKYAB-AWEZNQCLSA-N 0 3 271.364 2.033 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)C2(C#N)CC3(CC3)C2)C1 ZINC000601621713 346863119 /nfs/dbraw/zinc/86/31/19/346863119.db2.gz OLYHSCQESPEMOI-ZDUSSCGKSA-N 0 3 275.396 2.011 20 30 CEEDHN CCc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc(=O)[nH]1 ZINC000329231504 529503578 /nfs/dbraw/zinc/50/35/78/529503578.db2.gz FGCRPPDPLNTIPO-QMTHXVAHSA-N 0 3 289.379 2.137 20 30 CEEDHN C[C@H](C(=O)N(C)[C@H]1CCC[C@@H]1C#N)N1[C@H](C)CC[C@@H]1C ZINC000601807233 346903771 /nfs/dbraw/zinc/90/37/71/346903771.db2.gz IHHNWFAOPGPFPX-KHMAMNHCSA-N 0 3 277.412 2.398 20 30 CEEDHN Cc1cccc(CN2CC[C@@H](NC(=O)CCCC#N)C2)c1 ZINC000601851049 346916220 /nfs/dbraw/zinc/91/62/20/346916220.db2.gz RQIUWMGODQKKIY-MRXNPFEDSA-N 0 3 285.391 2.379 20 30 CEEDHN C=CCC[C@H](O)CN(CCC1CCCCC1)CC(N)=O ZINC000126316642 365706757 /nfs/dbraw/zinc/70/67/57/365706757.db2.gz UGBGXFBGJUCNFV-HNNXBMFYSA-N 0 3 282.428 2.071 20 30 CEEDHN Cc1ccccc1CN1CCCN(CCC#N)CC1 ZINC000042146234 343448578 /nfs/dbraw/zinc/44/85/78/343448578.db2.gz KGYJDSDQIQHNAX-UHFFFAOYSA-N 0 3 257.381 2.416 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN([C@@H](C)C1CC1)C1CC1 ZINC000047908338 362231083 /nfs/dbraw/zinc/23/10/83/362231083.db2.gz MBKABFISDFKGIT-BLLLJJGKSA-N 0 3 277.412 2.304 20 30 CEEDHN Cc1cc(C)c(C#N)c(NC[C@H]2CCCN(C)C2)n1 ZINC000044537943 343474093 /nfs/dbraw/zinc/47/40/93/343474093.db2.gz ALZRAMGSQCFUCQ-CYBMUJFWSA-N 0 3 258.369 2.324 20 30 CEEDHN N#Cc1csc(CNC[C@H]2CCCSC2)n1 ZINC000336673309 365753381 /nfs/dbraw/zinc/75/33/81/365753381.db2.gz JSIOKWPOSGTMFR-SECBINFHSA-N 0 3 253.396 2.248 20 30 CEEDHN CCOCCN1CCCN(c2ccc(C#N)cc2)CC1 ZINC000046086234 343491957 /nfs/dbraw/zinc/49/19/57/343491957.db2.gz QRASWFXIRWSUSS-UHFFFAOYSA-N 0 3 273.380 2.107 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc(F)c(F)c(F)c2)CC1 ZINC000127741691 365761192 /nfs/dbraw/zinc/76/11/92/365761192.db2.gz WJDGWVMNEPGWSS-UHFFFAOYSA-N 0 3 296.292 2.388 20 30 CEEDHN C=C(Br)CN1CCC[C@@H](N2CCCC2)C1 ZINC000057754487 343637009 /nfs/dbraw/zinc/63/70/09/343637009.db2.gz UUIZDEOGNUCXFL-GFCCVEGCSA-N 0 3 273.218 2.455 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NCc1cccc(F)c1C#N ZINC000602012217 346958346 /nfs/dbraw/zinc/95/83/46/346958346.db2.gz KSMXFYFWPKTPJW-BZNIZROVSA-N 0 3 273.355 2.270 20 30 CEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccoc1 ZINC000065930891 343704580 /nfs/dbraw/zinc/70/45/80/343704580.db2.gz PCWYTEOAOSPQCX-UHFFFAOYSA-N 0 3 297.358 2.355 20 30 CEEDHN CN(CCCN1CCCC1=O)Cc1ccc(C#N)cc1 ZINC000064140945 343686820 /nfs/dbraw/zinc/68/68/20/343686820.db2.gz KDTCMTLVMSFZJD-UHFFFAOYSA-N 0 3 271.364 2.003 20 30 CEEDHN COCC[C@@H](C)CNCc1cccc(F)c1C#N ZINC000602021436 346962735 /nfs/dbraw/zinc/96/27/35/346962735.db2.gz UJMJJROJOKPFFJ-LLVKDONJSA-N 0 3 250.317 2.460 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)NCCN(C)Cc1ccccc1 ZINC000066320828 343711046 /nfs/dbraw/zinc/71/10/46/343711046.db2.gz PHOYQOOLMJHQMC-HNNXBMFYSA-N 0 3 290.407 2.216 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000069316632 343785558 /nfs/dbraw/zinc/78/55/58/343785558.db2.gz DDWGBFXVOLRKBN-HOCLYGCPSA-N 0 3 290.407 2.387 20 30 CEEDHN Cc1n[nH]cc1CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000602174940 346988393 /nfs/dbraw/zinc/98/83/93/346988393.db2.gz YEFJNWUTVWDHPN-HNNXBMFYSA-N 0 3 296.374 2.449 20 30 CEEDHN Cc1ccc([C@H]2CCC[C@H]2N(C)CC(=O)NCC#N)cc1 ZINC000075886710 343871165 /nfs/dbraw/zinc/87/11/65/343871165.db2.gz SPRXJRZUIHHFCA-HZPDHXFCSA-N 0 3 285.391 2.203 20 30 CEEDHN C=CCOc1cccc(CN2CCC(CO)CC2)c1 ZINC000127061996 187279112 /nfs/dbraw/zinc/27/91/12/187279112.db2.gz QUXFVFBDCOXFMV-UHFFFAOYSA-N 0 3 261.365 2.456 20 30 CEEDHN C[C@@H](C#N)CN(C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000079121376 343973841 /nfs/dbraw/zinc/97/38/41/343973841.db2.gz SFFMCOMSPAFNSP-DZGCQCFKSA-N 0 3 288.395 2.090 20 30 CEEDHN C=CCN(C)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000127156385 187286247 /nfs/dbraw/zinc/28/62/47/187286247.db2.gz FJYDUTRTRMGZLA-AWEZNQCLSA-N 0 3 273.380 2.132 20 30 CEEDHN C[C@H](CCC#N)CN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000602451355 347038632 /nfs/dbraw/zinc/03/86/32/347038632.db2.gz GAVSRFZNBRFEFS-ZBFHGGJFSA-N 0 3 285.391 2.489 20 30 CEEDHN CCN(CC)C(=O)[C@@H]1CCCN1C[C@@H](C)CCC#N ZINC000602451734 347038834 /nfs/dbraw/zinc/03/88/34/347038834.db2.gz BQOVOIJLFHOGML-KBPBESRZSA-N 0 3 265.401 2.259 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC2(CCCC2)CC1 ZINC000158395794 344451465 /nfs/dbraw/zinc/45/14/65/344451465.db2.gz KVMMGYAOTUXTOB-UHFFFAOYSA-N 0 3 277.412 2.405 20 30 CEEDHN N#CCc1ccc(OC[C@H](O)CNCc2ccccc2)cc1 ZINC000225884231 344547886 /nfs/dbraw/zinc/54/78/86/344547886.db2.gz VKJPIAKQKWVKCD-QGZVFWFLSA-N 0 3 296.370 2.282 20 30 CEEDHN CC(=O)NC1CCN(CCCCC(C)(C)C#N)CC1 ZINC000232555823 344577960 /nfs/dbraw/zinc/57/79/60/344577960.db2.gz HIGPHMIXANDEAL-UHFFFAOYSA-N 0 3 265.401 2.307 20 30 CEEDHN N#CC1(C(=O)Nc2ccc3c(c2)CNCCO3)CC2(CC2)C1 ZINC000602491614 347057003 /nfs/dbraw/zinc/05/70/03/347057003.db2.gz QCCLUJOHDZGEHQ-UHFFFAOYSA-N 0 3 297.358 2.191 20 30 CEEDHN CC1(C)CC[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000312845538 344740342 /nfs/dbraw/zinc/74/03/42/344740342.db2.gz WVDLSXWORXOKCZ-AWEZNQCLSA-N 0 3 292.404 2.110 20 30 CEEDHN Cc1ccc(CNC[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000314800380 344746644 /nfs/dbraw/zinc/74/66/44/344746644.db2.gz WLTADUHCUTVFJH-KRWDZBQOSA-N 0 3 296.370 2.396 20 30 CEEDHN COc1ccc(CN2CCC[C@H](CO)CC2)cc1C#N ZINC000292991423 344690468 /nfs/dbraw/zinc/69/04/68/344690468.db2.gz CFPUCIKWESUWRN-ZDUSSCGKSA-N 0 3 274.364 2.161 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccnc(C3CC3)c2)CC1 ZINC000341045648 344769889 /nfs/dbraw/zinc/76/98/89/344769889.db2.gz MXVLWVJVYHBXGR-UHFFFAOYSA-N 0 3 285.391 2.339 20 30 CEEDHN CCCC(O)(CCC)CNCc1cccc(C#N)n1 ZINC000602552316 347073825 /nfs/dbraw/zinc/07/38/25/347073825.db2.gz OCXYGHXQAWZFDZ-UHFFFAOYSA-N 0 3 261.369 2.374 20 30 CEEDHN COc1ccccc1[C@H](CO)NC[C@H](C)CCC#N ZINC000602552050 347073966 /nfs/dbraw/zinc/07/39/66/347073966.db2.gz QSMGDSLRQRYYDC-OCCSQVGLSA-N 0 3 262.353 2.258 20 30 CEEDHN CC[S@](=O)[C@H]1CCC[C@@H](NCc2cccc(C#N)n2)C1 ZINC000602564360 347080422 /nfs/dbraw/zinc/08/04/22/347080422.db2.gz MGZBCODZQGBXQF-RAJNIJHNSA-N 0 3 291.420 2.123 20 30 CEEDHN Cc1noc(C)c1[C@@H](C)CNCc1cccc(C#N)n1 ZINC000602570789 347082406 /nfs/dbraw/zinc/08/24/06/347082406.db2.gz JSGZOUGVQYCJKJ-JTQLQIEISA-N 0 3 270.336 2.451 20 30 CEEDHN C=CCOc1ccccc1CNCCCn1cncn1 ZINC000381826839 344825125 /nfs/dbraw/zinc/82/51/25/344825125.db2.gz VZCAPMNDJYCLPE-UHFFFAOYSA-N 0 3 272.352 2.023 20 30 CEEDHN N#CCCCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000404177125 344878232 /nfs/dbraw/zinc/87/82/32/344878232.db2.gz HORSBGJLBQTFJG-ROUUACIJSA-N 0 3 299.418 2.265 20 30 CEEDHN C#C[C@H](CC)NCc1ccc(-n2cncn2)c(C)c1 ZINC000491622845 344912916 /nfs/dbraw/zinc/91/29/16/344912916.db2.gz JFVNMUIDZOPYQY-CQSZACIVSA-N 0 3 254.337 2.077 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000424062956 344896795 /nfs/dbraw/zinc/89/67/95/344896795.db2.gz WORYMLOEYPJEBR-ZDUSSCGKSA-N 0 3 284.319 2.301 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000579242545 344951647 /nfs/dbraw/zinc/95/16/47/344951647.db2.gz AAPSCSRFTDVKFV-DOMZBBRYSA-N 0 3 265.401 2.115 20 30 CEEDHN CN(CCc1ccc(Cl)cc1)C(=O)[C@@H](N)CCCC#N ZINC000584833483 344991182 /nfs/dbraw/zinc/99/11/82/344991182.db2.gz QKNHFLAWVNLGTR-AWEZNQCLSA-N 0 3 293.798 2.362 20 30 CEEDHN CNc1ccc(C#N)cc1NC(=O)C1CCN(C2CC2)CC1 ZINC000584855387 344994575 /nfs/dbraw/zinc/99/45/75/344994575.db2.gz ZRCDHYFIYJBQFZ-UHFFFAOYSA-N 0 3 298.390 2.413 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CCCCCC#N ZINC000588645991 345049217 /nfs/dbraw/zinc/04/92/17/345049217.db2.gz RVWBYLGVZCMCEW-OCCSQVGLSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@@H](C#N)CN[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000054179499 362517956 /nfs/dbraw/zinc/51/79/56/362517956.db2.gz JQBFVBNOPNFTMM-NWDGAFQWSA-N 0 3 260.337 2.486 20 30 CEEDHN CCn1nc(C)cc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000587988689 345032918 /nfs/dbraw/zinc/03/29/18/345032918.db2.gz GHQBBMVXDBXZTP-LBPRGKRZSA-N 0 3 283.335 2.108 20 30 CEEDHN N#Cc1csc(CN[C@@H]2CCc3cc(O)ccc3C2)n1 ZINC000589317389 345077332 /nfs/dbraw/zinc/07/73/32/345077332.db2.gz GIBGUKXABVPLGK-GFCCVEGCSA-N 0 3 285.372 2.367 20 30 CEEDHN Cc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)n[nH]1 ZINC000589341660 345078590 /nfs/dbraw/zinc/07/85/90/345078590.db2.gz DYXAOMCXBSVPJB-OAHLLOKOSA-N 0 3 252.321 2.367 20 30 CEEDHN CC(C)(C)[C@@H](O)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000588969660 345062890 /nfs/dbraw/zinc/06/28/90/345062890.db2.gz APSRSNFFQWITDA-HNNXBMFYSA-N 0 3 287.407 2.346 20 30 CEEDHN N#CC1(CC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000590152482 345117388 /nfs/dbraw/zinc/11/73/88/345117388.db2.gz HXXJJUQJKIBBAW-UHFFFAOYSA-N 0 3 297.402 2.245 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC(c3nnc4n3CCC4)CC2)C1 ZINC000590157746 345118715 /nfs/dbraw/zinc/11/87/15/345118715.db2.gz HOIWKORUXBKSTH-OCCSQVGLSA-N 0 3 285.395 2.096 20 30 CEEDHN O=C(Nc1nc[nH]n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000057155940 362572040 /nfs/dbraw/zinc/57/20/40/362572040.db2.gz QZAIAOIKJCSBRF-ZDUSSCGKSA-N 0 3 285.351 2.305 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)CC1(C#N)CC1 ZINC000590229077 345122439 /nfs/dbraw/zinc/12/24/39/345122439.db2.gz FSIMIJUFCFBKPY-STQMWFEESA-N 0 3 263.385 2.059 20 30 CEEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccc(O)cc3)C2)nc1 ZINC000590053147 345111255 /nfs/dbraw/zinc/11/12/55/345111255.db2.gz MSSAZZDBMIYKSO-MRXNPFEDSA-N 0 3 295.342 2.312 20 30 CEEDHN N#Cc1cscc1C(=O)NCCN1CCCCCC1 ZINC000590103228 345113850 /nfs/dbraw/zinc/11/38/50/345113850.db2.gz YQZIMVMQSITBCG-UHFFFAOYSA-N 0 3 277.393 2.226 20 30 CEEDHN CCO[C@H]1C[C@@H](NCc2ccnc(C#N)c2)C12CCC2 ZINC000590756279 345174898 /nfs/dbraw/zinc/17/48/98/345174898.db2.gz DXRRCOUTMSAQQW-CABCVRRESA-N 0 3 271.364 2.391 20 30 CEEDHN N#Cc1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccn1 ZINC000590756576 345175104 /nfs/dbraw/zinc/17/51/04/345175104.db2.gz ISUAPOAIKHTNGO-ZNMIVQPWSA-N 0 3 269.348 2.000 20 30 CEEDHN CO[C@@H]1C[C@H](N(C)Cc2ccnc(C#N)c2)C12CCC2 ZINC000590761983 345176870 /nfs/dbraw/zinc/17/68/70/345176870.db2.gz TVKCHYIVSYAJEX-LSDHHAIUSA-N 0 3 271.364 2.343 20 30 CEEDHN C[C@@H](NC(=O)CC1(C#N)CC1)[C@H](c1ccccc1)N(C)C ZINC000590329910 345129356 /nfs/dbraw/zinc/12/93/56/345129356.db2.gz ZXFHHLKALUQRLG-CZUORRHYSA-N 0 3 285.391 2.488 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)CC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000590392160 345132796 /nfs/dbraw/zinc/13/27/96/345132796.db2.gz BMPKIRWTRYFDIE-HOCLYGCPSA-N 0 3 297.402 2.459 20 30 CEEDHN CC(C)C[C@H](C#N)NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000591163610 345227148 /nfs/dbraw/zinc/22/71/48/345227148.db2.gz KZBOEBSTXJDCDA-XJFOESAGSA-N 0 3 265.401 2.302 20 30 CEEDHN CN1CC[C@H](NCc2ccncc2C#N)[C@@H]1c1ccccc1 ZINC000592119852 345324322 /nfs/dbraw/zinc/32/43/22/345324322.db2.gz AVRDOUMCAWDIHH-ROUUACIJSA-N 0 3 292.386 2.488 20 30 CEEDHN N#Cc1cnccc1CN1CCN(C2CCCCC2)CC1 ZINC000592075062 345319251 /nfs/dbraw/zinc/31/92/51/345319251.db2.gz SHBKYFWDNAXNGS-UHFFFAOYSA-N 0 3 284.407 2.404 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000591599712 345268092 /nfs/dbraw/zinc/26/80/92/345268092.db2.gz DYJDJJRAGZYGEY-DXGYCSDQSA-N 0 3 275.396 2.045 20 30 CEEDHN CC(C)NC(=O)[C@@H]1CCC[C@H](NC[C@H](C#N)CCC#N)C1 ZINC000591742747 345276750 /nfs/dbraw/zinc/27/67/50/345276750.db2.gz BJSJRFZDVMFKDR-ZNMIVQPWSA-N 0 3 290.411 2.103 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@@H]1CCc2cc(O)ccc2C1 ZINC000591763554 345278364 /nfs/dbraw/zinc/27/83/64/345278364.db2.gz DUJKWTXUOGVUSI-IUODEOHRSA-N 0 3 269.348 2.283 20 30 CEEDHN C[C@H]1SCC[C@H]1NCc1cnc2ccc(C#N)cn12 ZINC000592380944 345348548 /nfs/dbraw/zinc/34/85/48/345348548.db2.gz VGGXDWCRCOYHIE-ZWNOBZJWSA-N 0 3 272.377 2.190 20 30 CEEDHN Cc1cc(C)c(CN2CC[C@@](O)(CC#N)C2)cc1C ZINC000592523547 345366459 /nfs/dbraw/zinc/36/64/59/345366459.db2.gz OGVSRXBMDUIYJA-INIZCTEOSA-N 0 3 258.365 2.462 20 30 CEEDHN Cc1ccc(OCCCN2CC[C@@](O)(CC#N)C2)cc1C ZINC000592148320 345329958 /nfs/dbraw/zinc/32/99/58/345329958.db2.gz XNFLFDHOFFAAQL-KRWDZBQOSA-N 0 3 288.391 2.423 20 30 CEEDHN CCc1ccc(CCN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592150273 345330431 /nfs/dbraw/zinc/33/04/31/345330431.db2.gz DAKYATRGOXIMFC-INIZCTEOSA-N 0 3 258.365 2.142 20 30 CEEDHN CC(C#N)C(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592879080 345411086 /nfs/dbraw/zinc/41/10/86/345411086.db2.gz OLUWBVCCLZEFTC-LLVKDONJSA-N 0 3 280.368 2.116 20 30 CEEDHN COC[C@@H]1C[C@@H](O)CN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000593065272 345432315 /nfs/dbraw/zinc/43/23/15/345432315.db2.gz XLYLJCFRHVTVAA-JKSUJKDBSA-N 0 3 288.391 2.069 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)CCN1CCCCC1 ZINC000593112542 345441804 /nfs/dbraw/zinc/44/18/04/345441804.db2.gz OJYPYFMUZAXOON-UHFFFAOYSA-N 0 3 287.407 2.485 20 30 CEEDHN CC[C@@H](C#N)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000593411576 345479079 /nfs/dbraw/zinc/47/90/79/345479079.db2.gz QFGNCFFYVCQMEG-LBPRGKRZSA-N 0 3 275.352 2.115 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000593984484 345560404 /nfs/dbraw/zinc/56/04/04/345560404.db2.gz PWVPHWDVBCLYEU-YOEHRIQHSA-N 0 3 299.418 2.289 20 30 CEEDHN CSC[C@@H](O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033081 345570089 /nfs/dbraw/zinc/57/00/89/345570089.db2.gz HEKKIGUTWMGPKQ-AWEZNQCLSA-N 0 3 276.405 2.251 20 30 CEEDHN CCCN(C(=O)C(C#N)CC)[C@H](CC)C(=O)OCC ZINC000593650902 345516867 /nfs/dbraw/zinc/51/68/67/345516867.db2.gz IAMSLGMMMFHBRM-VXGBXAGGSA-N 0 3 268.357 2.116 20 30 CEEDHN N#CC1(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCCC1 ZINC000594197217 345596609 /nfs/dbraw/zinc/59/66/09/345596609.db2.gz BCNRSXACBLRWHT-KBPBESRZSA-N 0 3 275.396 2.203 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)CCCCC#N ZINC000594229982 345601011 /nfs/dbraw/zinc/60/10/11/345601011.db2.gz IMEFMQYNGMNODS-ZDUSSCGKSA-N 0 3 251.374 2.061 20 30 CEEDHN C[C@@H](CNC(=O)CCCCC#N)N1CCC(C)CC1 ZINC000594253426 345605338 /nfs/dbraw/zinc/60/53/38/345605338.db2.gz FRSBVCBJVVCJIX-AWEZNQCLSA-N 0 3 265.401 2.307 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1CN(C)C ZINC000594283261 345608570 /nfs/dbraw/zinc/60/85/70/345608570.db2.gz VOLHIWJVSSKCHT-RHSMWYFYSA-N 0 3 299.418 2.289 20 30 CEEDHN CCC(C)(C)N1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000594389447 345620003 /nfs/dbraw/zinc/62/00/03/345620003.db2.gz IHRRYJGQKWYYHT-UHFFFAOYSA-N 0 3 263.385 2.013 20 30 CEEDHN Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1F ZINC000594424402 345625260 /nfs/dbraw/zinc/62/52/60/345625260.db2.gz DAIORBHCJNDYKU-ZDUSSCGKSA-N 0 3 263.316 2.484 20 30 CEEDHN CC(C)CCN(C(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000594428711 345627164 /nfs/dbraw/zinc/62/71/64/345627164.db2.gz OTYIZZPRXBNSIJ-CQSZACIVSA-N 0 3 265.401 2.435 20 30 CEEDHN Cc1cc(CNC(=O)[C@H](N)CCCCC#N)ccc1F ZINC000594427799 345627178 /nfs/dbraw/zinc/62/71/78/345627178.db2.gz JNGBJXMJSGCVHT-CQSZACIVSA-N 0 3 277.343 2.162 20 30 CEEDHN COc1c(F)cc(NC(=O)[C@@H](N)CCCCC#N)cc1F ZINC000594428003 345627387 /nfs/dbraw/zinc/62/73/87/345627387.db2.gz KIWBSXJYCUYWBO-LBPRGKRZSA-N 0 3 297.305 2.323 20 30 CEEDHN Cc1ccc(NC(=O)[C@H](N)CCCCC#N)c(F)c1 ZINC000594427899 345627577 /nfs/dbraw/zinc/62/75/77/345627577.db2.gz WYOIXCJNNTWZMT-GFCCVEGCSA-N 0 3 263.316 2.484 20 30 CEEDHN COc1cc(C)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594429870 345627836 /nfs/dbraw/zinc/62/78/36/345627836.db2.gz XOCLEAYALTWIQO-LBPRGKRZSA-N 0 3 275.352 2.353 20 30 CEEDHN CCc1nc(NC(=O)[C@@H](N)CCCCC#N)sc1C ZINC000594430015 345627858 /nfs/dbraw/zinc/62/78/58/345627858.db2.gz ZFDCJANOEXDNGO-JTQLQIEISA-N 0 3 280.397 2.364 20 30 CEEDHN Cc1cnc(C(C)(C)NC(=O)[C@@H](N)CCCCC#N)s1 ZINC000594435892 345630081 /nfs/dbraw/zinc/63/00/81/345630081.db2.gz ARFCDNZFLHOAGI-NSHDSACASA-N 0 3 294.424 2.214 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCc2ccc(F)cc2C1 ZINC000594436339 345630170 /nfs/dbraw/zinc/63/01/70/345630170.db2.gz GWBPJQPKBPWFCN-OAHLLOKOSA-N 0 3 289.354 2.122 20 30 CEEDHN CC(C)c1csc(CNC(=O)[C@@H](N)CCCCC#N)n1 ZINC000594438737 345630541 /nfs/dbraw/zinc/63/05/41/345630541.db2.gz LCAWWKIFVREDFJ-NSHDSACASA-N 0 3 294.424 2.294 20 30 CEEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1nc2ccccc2[nH]1 ZINC000594441041 345631394 /nfs/dbraw/zinc/63/13/94/345631394.db2.gz LMNROIOQKMQYIU-NWDGAFQWSA-N 0 3 299.378 2.151 20 30 CEEDHN Cc1cc(F)ccc1CCNC(=O)[C@H](N)CCCCC#N ZINC000594445723 345632627 /nfs/dbraw/zinc/63/26/27/345632627.db2.gz KOFHFOIIOYAMQN-OAHLLOKOSA-N 0 3 291.370 2.204 20 30 CEEDHN Cc1cccc(C)c1CCNC(=O)[C@H](N)CCCCC#N ZINC000594446112 345632703 /nfs/dbraw/zinc/63/27/03/345632703.db2.gz QFQIPKGTVNXILT-MRXNPFEDSA-N 0 3 287.407 2.373 20 30 CEEDHN C[C@H]1CC(NC(=O)[C@@H](N)CCCCC#N)C[C@H](C)C1 ZINC000594447635 345633164 /nfs/dbraw/zinc/63/31/64/345633164.db2.gz UMERIUBDVRLZEF-BZPMIXESSA-N 0 3 265.401 2.339 20 30 CEEDHN CN(CCC(C)(C)C)C(=O)[C@@H](N)CCCCC#N ZINC000594449539 345633850 /nfs/dbraw/zinc/63/38/50/345633850.db2.gz JRJFFKCBHMMSQX-LBPRGKRZSA-N 0 3 253.390 2.292 20 30 CEEDHN CC1(C)CCCN[C@H]1C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594452146 345635071 /nfs/dbraw/zinc/63/50/71/345635071.db2.gz JXIDTRKABIXMHV-HNNXBMFYSA-N 0 3 283.375 2.179 20 30 CEEDHN CC(C)(C)[C@H](N)c1cn(-c2ccc(C#N)cc2)nn1 ZINC000594653003 345667569 /nfs/dbraw/zinc/66/75/69/345667569.db2.gz WNIHGSLQIMELHW-CYBMUJFWSA-N 0 3 255.325 2.185 20 30 CEEDHN Cc1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)nc1C#N ZINC000594600527 345656774 /nfs/dbraw/zinc/65/67/74/345656774.db2.gz LXKDECCYNRNKSR-HIFRSBDPSA-N 0 3 270.380 2.112 20 30 CEEDHN C=CCCSCCNC(=O)NCCN1CCCC[C@@H]1C ZINC000594684676 345671412 /nfs/dbraw/zinc/67/14/12/345671412.db2.gz GVHXBJKQJXBWQR-AWEZNQCLSA-N 0 3 299.484 2.469 20 30 CEEDHN CC1(C)CNCCN1C(=O)CC1(C#N)CCCCC1 ZINC000595254498 345748970 /nfs/dbraw/zinc/74/89/70/345748970.db2.gz YBJAXTHCDCXSCJ-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCC(F)(F)c1cccc(F)c1 ZINC000595255577 345749452 /nfs/dbraw/zinc/74/94/52/345749452.db2.gz FQPXXMRVQPVFHN-GFCCVEGCSA-N 0 3 299.296 2.055 20 30 CEEDHN C[C@H]1C[C@H](CNC(=O)[C@H](N)CCCC#N)C[C@@H](C)C1 ZINC000595257310 345749463 /nfs/dbraw/zinc/74/94/63/345749463.db2.gz UBDHTVCVOXXUEQ-ZOBORPQBSA-N 0 3 265.401 2.196 20 30 CEEDHN CC1(C)CN(C(=O)[C@@H](N)CCCC#N)CCc2ccccc21 ZINC000595255569 345749483 /nfs/dbraw/zinc/74/94/83/345749483.db2.gz FNNBBVZHNJTFPF-INIZCTEOSA-N 0 3 299.418 2.370 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCCC1CCC1 ZINC000595256380 345749614 /nfs/dbraw/zinc/74/96/14/345749614.db2.gz ONYMRRGOHBXUEX-ZDUSSCGKSA-N 0 3 251.374 2.094 20 30 CEEDHN CC(C)(NC(=O)[C@@H](N)CCCCC#N)c1cccc(C#N)c1 ZINC000595255663 345749648 /nfs/dbraw/zinc/74/96/48/345749648.db2.gz ICCOASYYLNWNGX-HNNXBMFYSA-N 0 3 298.390 2.321 20 30 CEEDHN N#CC1(CNC(=O)C2(N)Cc3ccccc3C2)CCCCC1 ZINC000595258450 345750377 /nfs/dbraw/zinc/75/03/77/345750377.db2.gz MJGRSAUDDUOHSL-UHFFFAOYSA-N 0 3 297.402 2.073 20 30 CEEDHN CC(C)CC1(NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000595259740 345750951 /nfs/dbraw/zinc/75/09/51/345750951.db2.gz NPZDBCKXSIAIDO-GFCCVEGCSA-N 0 3 251.374 2.093 20 30 CEEDHN C=CCCn1cc(CNCC2CCC(C#N)CC2)nn1 ZINC000594939029 345710105 /nfs/dbraw/zinc/71/01/05/345710105.db2.gz ZFHAJNWWZDCPHY-UHFFFAOYSA-N 0 3 273.384 2.274 20 30 CEEDHN COC[C@](C)(CCO)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594938502 345710259 /nfs/dbraw/zinc/71/02/59/345710259.db2.gz KZLCTTYHHBWPFU-INIZCTEOSA-N 0 3 288.391 2.119 20 30 CEEDHN CCNC(=O)[C@@H](NCc1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000594943496 345712019 /nfs/dbraw/zinc/71/20/19/345712019.db2.gz JSCRQBBOXJHPDD-INIZCTEOSA-N 0 3 299.418 2.492 20 30 CEEDHN COC(=O)[C@@H]1C[C@H]1[C@H](C)NC1(c2cccc(C#N)c2)CC1 ZINC000594960726 345717409 /nfs/dbraw/zinc/71/74/09/345717409.db2.gz WHXGORYYWIRTTD-TUKIKUTGSA-N 0 3 284.359 2.335 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@@H]3[C@@H]4CCC[C@@H]43)n2c1 ZINC000594985277 345722000 /nfs/dbraw/zinc/72/20/00/345722000.db2.gz VQWKZHQUDLDVKO-AGGWBTHJSA-N 0 3 252.321 2.094 20 30 CEEDHN C=CCCSCCNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000595552268 345810556 /nfs/dbraw/zinc/81/05/56/345810556.db2.gz RZSHYYUODDRJMR-GFCCVEGCSA-N 0 3 285.457 2.078 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)NCC2(C#N)CCCCC2)CCN1C ZINC000595551701 345810762 /nfs/dbraw/zinc/81/07/62/345810762.db2.gz KEAWLEMOPSEETA-KGLIPLIRSA-N 0 3 292.427 2.242 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)NCC2(C#N)CCCCC2)CCN1C ZINC000595551698 345811117 /nfs/dbraw/zinc/81/11/17/345811117.db2.gz KEAWLEMOPSEETA-KBPBESRZSA-N 0 3 292.427 2.242 20 30 CEEDHN CO[C@H](CN1CCN(CCC#N)CC1)C1CCCCC1 ZINC000595391717 345772723 /nfs/dbraw/zinc/77/27/23/345772723.db2.gz OIKWPVADEWTKET-MRXNPFEDSA-N 0 3 279.428 2.113 20 30 CEEDHN COc1ccc([C@@H](C)CN2CCN(CCC#N)CC2)cc1 ZINC000595393093 345773532 /nfs/dbraw/zinc/77/35/32/345773532.db2.gz WEJPSRGJEXWVDB-HNNXBMFYSA-N 0 3 287.407 2.330 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)N2CCC[C@H](CC#N)C2)C1 ZINC000595454460 345786792 /nfs/dbraw/zinc/78/67/92/345786792.db2.gz LGOLGZXDESHMHN-HUUCEWRRSA-N 0 3 292.427 2.054 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595598746 345822026 /nfs/dbraw/zinc/82/20/26/345822026.db2.gz VORXQRRCNJXRKK-CJNGLKHVSA-N 0 3 292.427 2.052 20 30 CEEDHN C[C@](CO)(NCCc1ccc(C#N)cc1)c1cccc(O)c1 ZINC000595497403 345796027 /nfs/dbraw/zinc/79/60/27/345796027.db2.gz OARBKZURPVVVNQ-GOSISDBHSA-N 0 3 296.370 2.304 20 30 CEEDHN C[C@H](CNC(=O)N1CC[C@@](C)(C#N)C1)N1CCC[C@@H](C)C1 ZINC000595504685 345797370 /nfs/dbraw/zinc/79/73/70/345797370.db2.gz GUONQDITONJWHV-FMKPAKJESA-N 0 3 292.427 2.052 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000595640832 345834879 /nfs/dbraw/zinc/83/48/79/345834879.db2.gz UXTUKIIHQSNEAI-IHRRRGAJSA-N 0 3 292.427 2.241 20 30 CEEDHN N#CC1(NC(=O)CN2CCC[C@@H](C3CCC3)C2)CCC1 ZINC000595837057 345893249 /nfs/dbraw/zinc/89/32/49/345893249.db2.gz OHVCNVMSDPOAJI-CQSZACIVSA-N 0 3 275.396 2.061 20 30 CEEDHN CCCN1CC[C@H](NC(=O)NCC2(C#N)CCCCC2)C1 ZINC000595798520 345878149 /nfs/dbraw/zinc/87/81/49/345878149.db2.gz DWCQDWWNSWPASR-AWEZNQCLSA-N 0 3 292.427 2.244 20 30 CEEDHN Cc1cc(CN2C[C@H](C)[C@](C)(CO)C2)ccc1C#N ZINC000595861357 345900374 /nfs/dbraw/zinc/90/03/74/345900374.db2.gz UGHRPNWXZTZXPG-BBRMVZONSA-N 0 3 258.365 2.317 20 30 CEEDHN N#CCSCCCN[C@H](CO)c1ccc(F)cc1F ZINC000595867122 345900881 /nfs/dbraw/zinc/90/08/81/345900881.db2.gz LMKLNBBPZXNWCW-CYBMUJFWSA-N 0 3 286.347 2.235 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@H]1CC1(C)C ZINC000595912330 345912212 /nfs/dbraw/zinc/91/22/12/345912212.db2.gz JRZHIPAIIOGOCK-XJKCOSOUSA-N 0 3 279.428 2.407 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1CC2CC1(C)C2 ZINC000595916935 345912641 /nfs/dbraw/zinc/91/26/41/345912641.db2.gz UYBKJOSORUKVRH-UHFFFAOYSA-N 0 3 272.348 2.430 20 30 CEEDHN CC1(C)CN(C(=O)[C@H](N)CCCC#N)[C@@H]1c1ccncc1 ZINC000595948967 345917533 /nfs/dbraw/zinc/91/75/33/345917533.db2.gz UKQKMAQQSHNDDT-ZIAGYGMSSA-N 0 3 286.379 2.012 20 30 CEEDHN Cc1ccc(C#N)nc1N(C)C[C@H]1CCCN(C)C1 ZINC000596128383 345946509 /nfs/dbraw/zinc/94/65/09/345946509.db2.gz GURVJQYEFFLBKQ-ZDUSSCGKSA-N 0 3 258.369 2.040 20 30 CEEDHN Cc1cc(NCC2(N(C)C)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596274283 345988312 /nfs/dbraw/zinc/98/83/12/345988312.db2.gz DLTOGOOCJWDOEE-UHFFFAOYSA-N 0 3 274.324 2.281 20 30 CEEDHN C=CCCSCCNC(=O)NC[C@H]1CCCN1CC ZINC000596388959 346013149 /nfs/dbraw/zinc/01/31/49/346013149.db2.gz NDNQOCLCWIHPBV-CYBMUJFWSA-N 0 3 285.457 2.079 20 30 CEEDHN Cc1cc(C#N)cc(NC[C@H]2CCN2Cc2ccccc2)n1 ZINC000596558895 346054660 /nfs/dbraw/zinc/05/46/60/346054660.db2.gz UKFDLBAQQZXSJQ-QGZVFWFLSA-N 0 3 292.386 2.370 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)[C@H](C)C(C)(C)O ZINC000295122433 199357099 /nfs/dbraw/zinc/35/70/99/199357099.db2.gz IZMSDYJSWQXNDX-LLVKDONJSA-N 0 3 262.353 2.158 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)NCC1(C#N)CCCC1 ZINC000596644144 346070421 /nfs/dbraw/zinc/07/04/21/346070421.db2.gz XOMQJKKUONJFRQ-CYBMUJFWSA-N 0 3 292.427 2.242 20 30 CEEDHN CCN(C(=O)NCC1(C#N)CCCC1)[C@H]1CCN(CC)C1 ZINC000596644214 346070467 /nfs/dbraw/zinc/07/04/67/346070467.db2.gz ZOIOVMQCHMMSRR-AWEZNQCLSA-N 0 3 292.427 2.196 20 30 CEEDHN CCN(C(=O)Nc1ccc(F)cc1C#N)[C@H]1CCN(C)C1 ZINC000596784078 346089995 /nfs/dbraw/zinc/08/99/95/346089995.db2.gz ONONNFDZYZBFJX-ZDUSSCGKSA-N 0 3 290.342 2.255 20 30 CEEDHN C[C@@H](CC#N)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000596837148 346095357 /nfs/dbraw/zinc/09/53/57/346095357.db2.gz MELCYERORYZMCV-LBPRGKRZSA-N 0 3 275.352 2.115 20 30 CEEDHN CCN(C(=O)Nc1cccc(CC#N)c1)[C@H]1CCN(C)C1 ZINC000596929401 346107455 /nfs/dbraw/zinc/10/74/55/346107455.db2.gz ORMUTFRHFWJNIL-HNNXBMFYSA-N 0 3 286.379 2.311 20 30 CEEDHN C=CCCSCCNCc1ccc(C(=O)OC)o1 ZINC000597184183 346143249 /nfs/dbraw/zinc/14/32/49/346143249.db2.gz HZZZAOSWHGVFDT-UHFFFAOYSA-N 0 3 269.366 2.465 20 30 CEEDHN CCN1CCC(n2nccc2NC(=O)[C@@H](C)CC#N)CC1 ZINC000597095498 346128013 /nfs/dbraw/zinc/12/80/13/346128013.db2.gz XLUSKOKQHXPKOO-LBPRGKRZSA-N 0 3 289.383 2.028 20 30 CEEDHN CCN(CCNC(=O)c1cc(F)c(C#N)c(F)c1)C1CC1 ZINC000597128013 346132148 /nfs/dbraw/zinc/13/21/48/346132148.db2.gz UXRBCEYPESQSJR-UHFFFAOYSA-N 0 3 293.317 2.051 20 30 CEEDHN N#CC1(c2ccc(CN3CC(CCO)C3)cc2)CC1 ZINC000597146060 346135037 /nfs/dbraw/zinc/13/50/37/346135037.db2.gz NFCIXDBMEWKNQL-UHFFFAOYSA-N 0 3 256.349 2.056 20 30 CEEDHN COc1cc(CN2C[C@@H]3COC[C@@]3(C)C2)ccc1C#N ZINC000597210506 346149563 /nfs/dbraw/zinc/14/95/63/346149563.db2.gz HSWDLBBMNHCBHR-GDBMZVCRSA-N 0 3 272.348 2.035 20 30 CEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000597604395 346206574 /nfs/dbraw/zinc/20/65/74/346206574.db2.gz MPEBPFRLHSMXNI-XJFOESAGSA-N 0 3 264.369 2.078 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000597453303 346187936 /nfs/dbraw/zinc/18/79/36/346187936.db2.gz RDUOBNDISVCYMH-VHDGCEQUSA-N 0 3 271.364 2.098 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)CCCCC#N ZINC000597861724 346241080 /nfs/dbraw/zinc/24/10/80/346241080.db2.gz WDJSKPOWNWRBJD-GFCCVEGCSA-N 0 3 251.374 2.059 20 30 CEEDHN CC(C)(F)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598200068 346304212 /nfs/dbraw/zinc/30/42/12/346304212.db2.gz XCHNAMRQMMFOQY-AWEZNQCLSA-N 0 3 287.338 2.495 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000598343846 346331810 /nfs/dbraw/zinc/33/18/10/346331810.db2.gz WMIBDHDKLBKIRT-GFCCVEGCSA-N 0 3 291.782 2.426 20 30 CEEDHN CCN(C(=O)[C@H](C)N1CCCCCC1)[C@@H](C)C#N ZINC000598359868 346338030 /nfs/dbraw/zinc/33/80/30/346338030.db2.gz NKGPLELADMZUDI-STQMWFEESA-N 0 3 251.374 2.011 20 30 CEEDHN CC[C@@H]1CN(C(=O)[C@@H](C#N)CCc2ccccc2)C[C@H](C)N1 ZINC000598531039 346371368 /nfs/dbraw/zinc/37/13/68/346371368.db2.gz DPTQQDYHQPKXHV-USXIJHARSA-N 0 3 299.418 2.358 20 30 CEEDHN CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@H](C)N1 ZINC000598532476 346371834 /nfs/dbraw/zinc/37/18/34/346371834.db2.gz ZZZXAQOUJAFHBK-NKKGCODLSA-N 0 3 297.402 2.261 20 30 CEEDHN CN1CCN(C[C@@H](O)CC(C)(C)C#N)Cc2ccccc21 ZINC000598589827 346378288 /nfs/dbraw/zinc/37/82/88/346378288.db2.gz MDUALKMGTUAFMR-HNNXBMFYSA-N 0 3 287.407 2.239 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN[C@H](c1cccnc1)C1CC1 ZINC000598604783 346382512 /nfs/dbraw/zinc/38/25/12/346382512.db2.gz WWVDODTWPIHFCZ-CABCVRRESA-N 0 3 273.380 2.423 20 30 CEEDHN COc1ccccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598704415 346404212 /nfs/dbraw/zinc/40/42/12/346404212.db2.gz ORQFOKBVVACSNP-ZDUSSCGKSA-N 0 3 262.353 2.086 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1c(C)[nH]c(C(=O)OCC)c1C ZINC000598978684 346441105 /nfs/dbraw/zinc/44/11/05/346441105.db2.gz QORUVJWXMZSNPC-KGLIPLIRSA-N 0 3 292.379 2.241 20 30 CEEDHN C[C@H](NC(=O)NC[C@@H]1CCCN1C)c1cccc(C#N)c1 ZINC000598999283 346444017 /nfs/dbraw/zinc/44/40/17/346444017.db2.gz PGLMNCPUSFSOBK-WFASDCNBSA-N 0 3 286.379 2.013 20 30 CEEDHN CCC(C#N)(CC)C(=O)NCCN1CCCC[C@H]1C ZINC000599072884 346455912 /nfs/dbraw/zinc/45/59/12/346455912.db2.gz LDBIZEVYALFXGX-CYBMUJFWSA-N 0 3 265.401 2.307 20 30 CEEDHN CN(Cc1cccs1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599258306 346485870 /nfs/dbraw/zinc/48/58/70/346485870.db2.gz XBQLTEYBUCPQGW-ZDUSSCGKSA-N 0 3 294.420 2.251 20 30 CEEDHN Cc1ccc(CN2C[C@H](C)N(C)C[C@@H]2C)cc1C#N ZINC000599340890 346502441 /nfs/dbraw/zinc/50/24/41/346502441.db2.gz AYGKVLVWTQLSEP-KBPBESRZSA-N 0 3 257.381 2.391 20 30 CEEDHN CC(C)(NC[C@H](O)CC1(O)CCC1)c1cccc(C#N)c1 ZINC000599462558 346524054 /nfs/dbraw/zinc/52/40/54/346524054.db2.gz RPUHGRQJRNXMQB-OAHLLOKOSA-N 0 3 288.391 2.049 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)CC1(O)CCC1 ZINC000599440713 346521538 /nfs/dbraw/zinc/52/15/38/346521538.db2.gz ZJWWSMYFKJHRIE-BBRMVZONSA-N 0 3 288.391 2.217 20 30 CEEDHN CCN1CCN(Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599340389 346501395 /nfs/dbraw/zinc/50/13/95/346501395.db2.gz VCGKMWTYSAFVQR-CQSZACIVSA-N 0 3 257.381 2.393 20 30 CEEDHN C=CCC[C@@H](O)CN1CCc2c(CC#N)cccc2C1 ZINC000599679414 346563633 /nfs/dbraw/zinc/56/36/33/346563633.db2.gz RMRYGSGFBPRXIB-MRXNPFEDSA-N 0 3 270.376 2.438 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599589526 346542938 /nfs/dbraw/zinc/54/29/38/346542938.db2.gz MPQKDDWYXMCLDI-MCIONIFRSA-N 0 3 283.412 2.223 20 30 CEEDHN N#Cc1ccc(CCN2CCC[C@@H]2c2ccc(=O)[nH]n2)cc1 ZINC000599638846 346551182 /nfs/dbraw/zinc/55/11/82/346551182.db2.gz VWDAIOBTENDXIY-MRXNPFEDSA-N 0 3 294.358 2.433 20 30 CEEDHN CCC(C#N)(CC)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000600084752 346595349 /nfs/dbraw/zinc/59/53/49/346595349.db2.gz FVQDZCJPLALECT-ZIAGYGMSSA-N 0 3 277.412 2.449 20 30 CEEDHN N#CCC[C@@H](C#N)CNC[C@H]1CCN1C1CCCC1 ZINC000600614271 346663056 /nfs/dbraw/zinc/66/30/56/346663056.db2.gz RBAJZXILZHCCKZ-DZGCQCFKSA-N 0 3 260.385 2.036 20 30 CEEDHN CN(CC1(C)COC1)C(=O)C(C#N)CCc1ccccc1 ZINC000600303051 346631769 /nfs/dbraw/zinc/63/17/69/346631769.db2.gz ABCVFXXMAGMZGO-HNNXBMFYSA-N 0 3 286.375 2.254 20 30 CEEDHN Cc1ccc(Cn2cc3c(n2)[C@@H](N)CCC3)cc1C#N ZINC000600947251 346714335 /nfs/dbraw/zinc/71/43/35/346714335.db2.gz BBBLGKBYRSRAGV-HNNXBMFYSA-N 0 3 266.348 2.448 20 30 CEEDHN N#CCc1ccccc1C(=O)NC1CCN(C2CC2)CC1 ZINC000600981307 346725543 /nfs/dbraw/zinc/72/55/43/346725543.db2.gz FXAHOXAGZWTSLH-UHFFFAOYSA-N 0 3 283.375 2.109 20 30 CEEDHN N#CC1(C[C@H](O)CNCc2cc(F)ccc2F)CC1 ZINC000600720398 346677965 /nfs/dbraw/zinc/67/79/65/346677965.db2.gz GVNRDBQJURHOSP-LBPRGKRZSA-N 0 3 266.291 2.109 20 30 CEEDHN COc1cc(C)ccc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600731850 346680166 /nfs/dbraw/zinc/68/01/66/346680166.db2.gz VRCRLCPSNZFWTJ-AWEZNQCLSA-N 0 3 274.364 2.148 20 30 CEEDHN C[C@@H]1Oc2ccccc2[C@@H]1NC[C@@H](O)CC1(C#N)CC1 ZINC000600741024 346682871 /nfs/dbraw/zinc/68/28/71/346682871.db2.gz METHLSQINUMEAZ-SLEUVZQESA-N 0 3 272.348 2.153 20 30 CEEDHN CN(C)Cc1ccc(F)c(-c2cnn(CC#N)c2)c1 ZINC000600791542 346691236 /nfs/dbraw/zinc/69/12/36/346691236.db2.gz RHPJTZUKZCOSDK-UHFFFAOYSA-N 0 3 258.300 2.274 20 30 CEEDHN Cc1cc(C#N)cc(N2CCCN(C(C)C)CC2)n1 ZINC000601111658 346756127 /nfs/dbraw/zinc/75/61/27/346756127.db2.gz WWDMLCPGQKQRAA-UHFFFAOYSA-N 0 3 258.369 2.182 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCO[C@H](C3CC3)C2)n1 ZINC000602617053 347105885 /nfs/dbraw/zinc/10/58/85/347105885.db2.gz NOTOTJSEAAKIHR-WFASDCNBSA-N 0 3 257.337 2.000 20 30 CEEDHN C#CCOc1ccccc1CN1CCC[C@@](C)(O)C1 ZINC000129526411 365866770 /nfs/dbraw/zinc/86/67/70/365866770.db2.gz BNZXWQNKRLVMTA-MRXNPFEDSA-N 0 3 259.349 2.045 20 30 CEEDHN CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CN2CCC1CC2 ZINC000601250737 346801976 /nfs/dbraw/zinc/80/19/76/346801976.db2.gz NTVCHWANONBOMW-OAHLLOKOSA-N 0 3 284.363 2.116 20 30 CEEDHN COC(=O)c1csc(CNCC2(CC#N)CC2)c1 ZINC000602643229 347119648 /nfs/dbraw/zinc/11/96/48/347119648.db2.gz OOCGEFWOSAETJU-UHFFFAOYSA-N 0 3 264.350 2.318 20 30 CEEDHN C[C@H](CCC#N)CN1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000602643888 347120129 /nfs/dbraw/zinc/12/01/29/347120129.db2.gz OCIBIIKLPNLPJK-CBBWQLFWSA-N 0 3 266.385 2.195 20 30 CEEDHN C[C@@H](CCC#N)CN1CC=C(c2ccnn2C)CC1 ZINC000602649433 347122980 /nfs/dbraw/zinc/12/29/80/347122980.db2.gz HVCBTDOJHAZJID-ZDUSSCGKSA-N 0 3 258.369 2.449 20 30 CEEDHN C[C@@H](CCC#N)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000602673453 347136253 /nfs/dbraw/zinc/13/62/53/347136253.db2.gz UTUPXFNDFHZISS-ZFWWWQNUSA-N 0 3 284.363 2.346 20 30 CEEDHN N#Cc1ccc(CNC2CC(n3cccn3)C2)cc1F ZINC000602682339 347142703 /nfs/dbraw/zinc/14/27/03/347142703.db2.gz QPAIWNQCQPZUEG-UHFFFAOYSA-N 0 3 270.311 2.387 20 30 CEEDHN COc1ccc(CNC2CCC(C#N)CC2)c(OC)n1 ZINC000602667595 347132049 /nfs/dbraw/zinc/13/20/49/347132049.db2.gz QHVOMEDQYDRYSH-UHFFFAOYSA-N 0 3 275.352 2.271 20 30 CEEDHN CCC[C@H](CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)OC ZINC000602670424 347134158 /nfs/dbraw/zinc/13/41/58/347134158.db2.gz CSFRATAFUYUOIB-HUUCEWRRSA-N 0 3 289.379 2.221 20 30 CEEDHN C[C@@H]1CN(C[C@H]2CCCN2CC2(CC#N)CC2)C[C@@H](C)O1 ZINC000602767812 347189748 /nfs/dbraw/zinc/18/97/48/347189748.db2.gz GQHFAOGLNBLQFO-BZUAXINKSA-N 0 3 291.439 2.254 20 30 CEEDHN CC(C)(C)OC(=O)[C@@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602777539 347194583 /nfs/dbraw/zinc/19/45/83/347194583.db2.gz FRGJXPNGPSBBSW-GFCCVEGCSA-N 0 3 264.369 2.344 20 30 CEEDHN COC(=O)[C@@]1(C)CN(Cc2ccccc2C#N)C[C@@H]1C ZINC000602728579 347174276 /nfs/dbraw/zinc/17/42/76/347174276.db2.gz BDSBMVZRGRLIBF-LRDDRELGSA-N 0 3 272.348 2.189 20 30 CEEDHN N#CCCN1CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000602748665 347184278 /nfs/dbraw/zinc/18/42/78/347184278.db2.gz PFEYAHIOACUTBB-DLBZAZTESA-N 0 3 269.392 2.321 20 30 CEEDHN N#CCC1(CN[C@@]2(CO)CCCc3ccccc32)CC1 ZINC000602823788 347214763 /nfs/dbraw/zinc/21/47/63/347214763.db2.gz DJSIZLDBMSVNEZ-QGZVFWFLSA-N 0 3 270.376 2.494 20 30 CEEDHN N#CCC1(CN2C[C@@H](O)C[C@H]2c2ccccc2)CC1 ZINC000602841887 347220661 /nfs/dbraw/zinc/22/06/61/347220661.db2.gz WRSBXYVMJSKEHI-GJZGRUSLSA-N 0 3 256.349 2.488 20 30 CEEDHN C[C@H]1OCC[C@@H]1CN1CCN(c2ccsc2C#N)CC1 ZINC000602883892 347237849 /nfs/dbraw/zinc/23/78/49/347237849.db2.gz NRIVGRWQMSOVNR-CHWSQXEVSA-N 0 3 291.420 2.167 20 30 CEEDHN COC(=O)C1(CN2CCC(c3ccc(C#N)cn3)CC2)CC1 ZINC000602905826 347243541 /nfs/dbraw/zinc/24/35/41/347243541.db2.gz DVFFPUVYBHGTJR-UHFFFAOYSA-N 0 3 299.374 2.086 20 30 CEEDHN C=CCOCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907729 347244090 /nfs/dbraw/zinc/24/40/90/347244090.db2.gz UGWULCKGUDGVGX-UHFFFAOYSA-N 0 3 271.364 2.335 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccsc2)CC1 ZINC000064989919 362799747 /nfs/dbraw/zinc/79/97/47/362799747.db2.gz SLCDBMGSLBCBHQ-UHFFFAOYSA-N 0 3 250.367 2.128 20 30 CEEDHN Cn1cc(CCN2CCC(c3ccc(C#N)cn3)CC2)cn1 ZINC000602909109 347244681 /nfs/dbraw/zinc/24/46/81/347244681.db2.gz YCADECKCOGAKQP-UHFFFAOYSA-N 0 3 295.390 2.109 20 30 CEEDHN CN(C)CC1(NC(=O)Nc2cc(F)cc(C#N)c2)CCC1 ZINC000603070642 347280881 /nfs/dbraw/zinc/28/08/81/347280881.db2.gz PPWQCEGKBLRDPK-UHFFFAOYSA-N 0 3 290.342 2.303 20 30 CEEDHN N#Cc1ccc(CNC[C@H]2CCCC[C@@H]2O)c(F)c1 ZINC000085986602 179212470 /nfs/dbraw/zinc/21/24/70/179212470.db2.gz VGTRHWOAVFOVOV-HIFRSBDPSA-N 0 3 262.328 2.338 20 30 CEEDHN Cc1ccc(Cn2cc([C@@H](N)C(C)C)nn2)cc1C#N ZINC000603223114 347314133 /nfs/dbraw/zinc/31/41/33/347314133.db2.gz LIDMZJMCBYYNAB-HNNXBMFYSA-N 0 3 269.352 2.162 20 30 CEEDHN CN(C)CCc1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000603249257 347321409 /nfs/dbraw/zinc/32/14/09/347321409.db2.gz GTXDSNXOAWEWNW-UHFFFAOYSA-N 0 3 297.406 2.232 20 30 CEEDHN CCC(C#N)C(=O)N=c1[nH]n(Cc2ccccc2)cc1C ZINC000603423254 347366187 /nfs/dbraw/zinc/36/61/87/347366187.db2.gz LPYLXZAVWARDNP-CQSZACIVSA-N 0 3 282.347 2.150 20 30 CEEDHN CC#CC[C@H](CO)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000603432678 347369380 /nfs/dbraw/zinc/36/93/80/347369380.db2.gz PLRJIXWBCRLPNZ-UZGISAJGSA-N 0 3 288.347 2.362 20 30 CEEDHN N#CCN1CCC(NCc2ccc(F)cc2F)CC1 ZINC000609334806 347635610 /nfs/dbraw/zinc/63/56/10/347635610.db2.gz IKIAHTRIYSPRNO-UHFFFAOYSA-N 0 3 265.307 2.042 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)c1cccc(CC#N)c1 ZINC000609851135 347653183 /nfs/dbraw/zinc/65/31/83/347653183.db2.gz GDVZUMHVIJCZBW-MRXNPFEDSA-N 0 3 285.391 2.357 20 30 CEEDHN C[C@@H](C#N)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000610348010 347674628 /nfs/dbraw/zinc/67/46/28/347674628.db2.gz KUMCQTRAUNIDAX-GOEBONIOSA-N 0 3 285.391 2.489 20 30 CEEDHN N#Cc1ccc(CN2CCCN([C@H]3CCCOC3)CC2)cc1 ZINC000610560042 347692347 /nfs/dbraw/zinc/69/23/47/347692347.db2.gz RPUGYNDWCPMDIU-SFHVURJKSA-N 0 3 299.418 2.245 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCCNC1=O ZINC000611390484 347772587 /nfs/dbraw/zinc/77/25/87/347772587.db2.gz DUJYBKNBSOCEGK-HOTGVXAUSA-N 0 3 283.375 2.194 20 30 CEEDHN Cc1ccc(C#N)nc1NCCN1CCC[C@H](C)C1 ZINC000611399516 347773967 /nfs/dbraw/zinc/77/39/67/347773967.db2.gz VWECTPJIOUICGK-LBPRGKRZSA-N 0 3 258.369 2.406 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC2(C1)CCCCC2 ZINC000129997639 365914477 /nfs/dbraw/zinc/91/44/77/365914477.db2.gz AQTOFUVPQVXQFV-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN C[C@@H](N[C@@H]1CCCN(C)C1)c1ccc(C#N)cc1F ZINC000611586599 347797332 /nfs/dbraw/zinc/79/73/32/347797332.db2.gz FOJCCPOHRUKKGM-DGCLKSJQSA-N 0 3 261.344 2.442 20 30 CEEDHN C[C@@H](C(=O)N1CCC[C@](C)(C#N)C1)N1CCCCCC1 ZINC000612364115 347874319 /nfs/dbraw/zinc/87/43/19/347874319.db2.gz CUJHCCJCUSAILY-GOEBONIOSA-N 0 3 277.412 2.403 20 30 CEEDHN Cc1cccc2c1ncc(C#N)c2N1CC(N(C)C)C1 ZINC000612448908 347887982 /nfs/dbraw/zinc/88/79/82/347887982.db2.gz YGTULORJHYXXOF-UHFFFAOYSA-N 0 3 266.348 2.165 20 30 CEEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCc1ccnc(C#N)c1 ZINC000613390215 348037848 /nfs/dbraw/zinc/03/78/48/348037848.db2.gz ZRUKUGJGOYYJOV-SUMWQHHRSA-N 0 3 281.359 2.207 20 30 CEEDHN CCN(C)C(=O)CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000614163951 348152906 /nfs/dbraw/zinc/15/29/06/348152906.db2.gz OQPROBQOSKPTTM-OAHLLOKOSA-N 0 3 271.364 2.004 20 30 CEEDHN N#CC1(NC(=O)CN2CC[C@@H]3CCC[C@H]32)CCCCC1 ZINC000614600831 348220825 /nfs/dbraw/zinc/22/08/25/348220825.db2.gz MAOIDAQDJMQPFX-UONOGXRCSA-N 0 3 275.396 2.203 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCSC[C@H]1CCO ZINC000614402594 348193491 /nfs/dbraw/zinc/19/34/91/348193491.db2.gz LGOZMVYQWGHGAW-OAHLLOKOSA-N 0 3 276.405 2.167 20 30 CEEDHN CC[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)NCC#N ZINC000066497055 362870672 /nfs/dbraw/zinc/87/06/72/362870672.db2.gz JMBXLFNOGUUQHK-HOTGVXAUSA-N 0 3 285.391 2.284 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@@H](C)N(C)C[C@@H]1C ZINC000351944133 219258399 /nfs/dbraw/zinc/25/83/99/219258399.db2.gz JRVPDHVJYDGMTN-OLZOCXBDSA-N 0 3 273.380 2.091 20 30 CEEDHN C[C@@H]1CN(Cc2cn3ccccc3c2C#N)[C@H](C)CN1C ZINC000351952773 219263170 /nfs/dbraw/zinc/26/31/70/219263170.db2.gz XOHFJSJEZFXDER-ZIAGYGMSSA-N 0 3 282.391 2.335 20 30 CEEDHN C=CC[C@H](CO)NCc1cc2c(cc1SC)OCCO2 ZINC000273361589 192126528 /nfs/dbraw/zinc/12/65/28/192126528.db2.gz CRFUKVZGDPTDJT-GFCCVEGCSA-N 0 3 295.404 2.206 20 30 CEEDHN CCN(C)C(=O)[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000616094731 348439987 /nfs/dbraw/zinc/43/99/87/348439987.db2.gz WFUSCFGUEXZSAO-LRDDRELGSA-N 0 3 285.391 2.392 20 30 CEEDHN C=CCN(C(=O)[C@@H](CC)N(CC)CC)[C@@H](C)COC ZINC000617580508 348742712 /nfs/dbraw/zinc/74/27/12/348742712.db2.gz ZOXJQESENCNYLV-UONOGXRCSA-N 0 3 270.417 2.156 20 30 CEEDHN CNC(=O)[C@H](CC(C)C)NCc1ccc(C#N)c(C)c1 ZINC000618195215 348899274 /nfs/dbraw/zinc/89/92/74/348899274.db2.gz HGAQFKJOLPKTHP-HNNXBMFYSA-N 0 3 273.380 2.117 20 30 CEEDHN C=CCC1(NC(=O)[C@H](C)N2CCCCCC2)CCOCC1 ZINC000618248192 348906190 /nfs/dbraw/zinc/90/61/90/348906190.db2.gz YJHIJEOULOVXPV-HNNXBMFYSA-N 0 3 294.439 2.492 20 30 CEEDHN N#CCN1CCC(NCc2scnc2C2CC2)CC1 ZINC000618723920 349029661 /nfs/dbraw/zinc/02/96/61/349029661.db2.gz URJJICSGZCRFLB-UHFFFAOYSA-N 0 3 276.409 2.098 20 30 CEEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1cn[nH]c1 ZINC000273968811 192382247 /nfs/dbraw/zinc/38/22/47/192382247.db2.gz GNOJRYOISYNHOG-LLVKDONJSA-N 0 3 256.309 2.011 20 30 CEEDHN CC(C)[C@H](C(=O)N[C@@H]1CCc2cc(C#N)ccc21)N(C)C ZINC000618890081 349060863 /nfs/dbraw/zinc/06/08/63/349060863.db2.gz AQDHWXCDOPGTEU-HZPDHXFCSA-N 0 3 285.391 2.248 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNc1cnccc1C#N ZINC000619158266 349130477 /nfs/dbraw/zinc/13/04/77/349130477.db2.gz JDBMSFPLQRTDFU-CQSZACIVSA-N 0 3 258.369 2.486 20 30 CEEDHN N#Cc1c2c(cnc1N[C@@H]1CCN(C3CC3)C1)CCC2 ZINC000568859587 299160379 /nfs/dbraw/zinc/16/03/79/299160379.db2.gz LHMJATOWLJNVPC-GFCCVEGCSA-N 0 3 268.364 2.091 20 30 CEEDHN CC[C@H]1CN(C)CCCN1C(=O)c1cccc(CC#N)c1 ZINC000619567170 349200314 /nfs/dbraw/zinc/20/03/14/349200314.db2.gz ZRFNOFFWKDPOEX-INIZCTEOSA-N 0 3 285.391 2.309 20 30 CEEDHN C=CCC[C@H](NC[C@@H]1COCCN1C)c1ccco1 ZINC000624176289 350219091 /nfs/dbraw/zinc/21/90/91/350219091.db2.gz HQQXMUPBZAGFGL-KGLIPLIRSA-N 0 3 264.369 2.207 20 30 CEEDHN C=CCN(CCc1ccccc1)C[C@H](O)CC1(O)CCC1 ZINC000625108711 350406699 /nfs/dbraw/zinc/40/66/99/350406699.db2.gz JJBZBJJCMSJTNA-QGZVFWFLSA-N 0 3 289.419 2.383 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(C)CCCC)CC1 ZINC000106275965 186106483 /nfs/dbraw/zinc/10/64/83/186106483.db2.gz YJHOBIJYPNTFTP-UHFFFAOYSA-N 0 3 267.417 2.468 20 30 CEEDHN CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)N(C)C ZINC000106904815 186148687 /nfs/dbraw/zinc/14/86/87/186148687.db2.gz YXIPTOCCJLFPAJ-WFASDCNBSA-N 0 3 273.380 2.322 20 30 CEEDHN CCN(CC(=O)Nc1ccc(C#N)cc1)CC1CC1 ZINC000069238158 362957538 /nfs/dbraw/zinc/95/75/38/362957538.db2.gz YVUHUHSMLAFYFL-UHFFFAOYSA-N 0 3 257.337 2.229 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)C1CC(OC)C1)C(C)C ZINC000625557863 350527158 /nfs/dbraw/zinc/52/71/58/350527158.db2.gz QLEQDUJLRFLSOB-UYSNPLJNSA-N 0 3 294.439 2.226 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)NCc2ccccc2F)C1 ZINC000625702515 350550934 /nfs/dbraw/zinc/55/09/34/350550934.db2.gz GRKSBTDWYZOKEY-CYBMUJFWSA-N 0 3 276.355 2.340 20 30 CEEDHN CCCCN(CC(=O)NCC#N)[C@@H](C)c1ccccc1 ZINC000108857326 186233629 /nfs/dbraw/zinc/23/36/29/186233629.db2.gz JWFKKIDYRJKRDA-AWEZNQCLSA-N 0 3 273.380 2.489 20 30 CEEDHN O=c1ccc([C@@H]2OCC[C@H]2NCC#Cc2ccccc2)c[nH]1 ZINC000625992150 350622590 /nfs/dbraw/zinc/62/25/90/350622590.db2.gz WASYWEGPLXPBNX-AEFFLSMTSA-N 0 3 294.354 2.259 20 30 CEEDHN C=CCOc1cccc(CN2C[C@@H](O)[C@@H](CC)C2)c1 ZINC000271398670 191116041 /nfs/dbraw/zinc/11/60/41/191116041.db2.gz VGVUPPMOUCMSMS-GOEBONIOSA-N 0 3 261.365 2.454 20 30 CEEDHN N#Cc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000110250434 186288894 /nfs/dbraw/zinc/28/88/94/186288894.db2.gz GUIFZULDLGBEFE-MRXNPFEDSA-N 0 3 283.375 2.259 20 30 CEEDHN C[C@@H]1[C@@H](Nc2ccc(C(F)(F)F)c(C#N)n2)CCCN1C ZINC000337021236 365989731 /nfs/dbraw/zinc/98/97/31/365989731.db2.gz RLFWYOJHTBFFSP-KOLCDFICSA-N 0 3 298.312 2.289 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1C[C@@H](C)C[C@H](C)C1 ZINC000069874652 363010862 /nfs/dbraw/zinc/01/08/62/363010862.db2.gz LGSJEUUKDMKTSG-KBPBESRZSA-N 0 3 250.386 2.165 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000413852899 233684413 /nfs/dbraw/zinc/68/44/13/233684413.db2.gz BHEYVPZZUFJARP-LSDHHAIUSA-N 0 3 285.391 2.118 20 30 CEEDHN C=C1CC(C)(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000630080586 351608030 /nfs/dbraw/zinc/60/80/30/351608030.db2.gz AMTBCINYEQQCDU-GFCCVEGCSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCN1CC[C@@H](N(C[C@H]2CCCO2)C2CCCC2)C1=O ZINC000337180514 366058482 /nfs/dbraw/zinc/05/84/82/366058482.db2.gz MCGMXCWJVNAFGI-HZPDHXFCSA-N 0 3 292.423 2.197 20 30 CEEDHN COc1ccc(CN[C@H](CO)Cc2ccccc2)cc1C#N ZINC000131551904 366064568 /nfs/dbraw/zinc/06/45/68/366064568.db2.gz LZVUQGBNKGUINM-KRWDZBQOSA-N 0 3 296.370 2.260 20 30 CEEDHN C=CCN1CC[C@@H](N2C[C@H](C)CC(C)(C)C2)C1=O ZINC000337205806 366074999 /nfs/dbraw/zinc/07/49/99/366074999.db2.gz LGKCJBSFUGESCE-CHWSQXEVSA-N 0 3 250.386 2.141 20 30 CEEDHN CC(C)CCOCCNCc1cnc2ccc(C#N)cn12 ZINC000123498308 187095383 /nfs/dbraw/zinc/09/53/83/187095383.db2.gz FBXVJEOTAQNKTL-UHFFFAOYSA-N 0 3 286.379 2.358 20 30 CEEDHN C=CC[C@H](CO)NCc1cc(OC)c(OC)cc1Cl ZINC000631110988 351968045 /nfs/dbraw/zinc/96/80/45/351968045.db2.gz LRZXXAUAKDPOFC-LLVKDONJSA-N 0 3 285.771 2.384 20 30 CEEDHN Cc1nc(N(C)[C@H]2CCN(C)[C@H](C)C2)ccc1C#N ZINC000292003522 198131251 /nfs/dbraw/zinc/13/12/51/198131251.db2.gz RMDMEVLBBOOGCO-RISCZKNCSA-N 0 3 258.369 2.181 20 30 CEEDHN C=CCC[C@H](O)CN(C)CCOCc1ccccc1 ZINC000152304375 188008953 /nfs/dbraw/zinc/00/89/53/188008953.db2.gz QEXMJAJUJDBYRZ-INIZCTEOSA-N 0 3 263.381 2.462 20 30 CEEDHN C=CCC[C@@H](NC(=O)C(C)S(C)(=O)=O)c1ccccc1 ZINC000154250102 188131885 /nfs/dbraw/zinc/13/18/85/188131885.db2.gz YVWNPIYFPZBEFF-GXTWGEPZSA-N 0 3 295.404 2.243 20 30 CEEDHN C#CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000154860777 188166602 /nfs/dbraw/zinc/16/66/02/188166602.db2.gz BTNCMZAHRYYTPC-DOTOQJQBSA-N 0 3 299.418 2.314 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C#N)cc2)CCN1C ZINC000336446702 213311907 /nfs/dbraw/zinc/31/19/07/213311907.db2.gz AILOSUUWLMLZTH-RISCZKNCSA-N 0 3 272.352 2.162 20 30 CEEDHN C=C(C)CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000156566552 188268824 /nfs/dbraw/zinc/26/88/24/188268824.db2.gz XCLXJEOETIBNLC-AWEZNQCLSA-N 0 3 261.369 2.165 20 30 CEEDHN CC#CCCN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000156778452 188280965 /nfs/dbraw/zinc/28/09/65/188280965.db2.gz KASFVHMFNRMFAG-ZDUSSCGKSA-N 0 3 258.369 2.206 20 30 CEEDHN C[C@@H](NC(=O)NC1CCN(C)CC1)c1cccc(C#N)c1 ZINC000073485403 363221766 /nfs/dbraw/zinc/22/17/66/363221766.db2.gz OARHEBBFZUOVCE-GFCCVEGCSA-N 0 3 286.379 2.013 20 30 CEEDHN C=CCN1CC[C@H](N(C)CCCCC2CCOCC2)C1=O ZINC000337228415 366090457 /nfs/dbraw/zinc/09/04/57/366090457.db2.gz QXWRAFMKWRDYKQ-INIZCTEOSA-N 0 3 294.439 2.302 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(C#N)s1 ZINC000336417357 213276460 /nfs/dbraw/zinc/27/64/60/213276460.db2.gz QHXXREAIMAFPPR-JQWIXIFHSA-N 0 3 277.393 2.032 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)N1CCCCCC1 ZINC000074222981 363310263 /nfs/dbraw/zinc/31/02/63/363310263.db2.gz XJTDLYYZGBBJPK-UONOGXRCSA-N 0 3 265.401 2.259 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)[C@@H](C)N1CCCCCC1 ZINC000074222983 363311030 /nfs/dbraw/zinc/31/10/30/363311030.db2.gz XJTDLYYZGBBJPK-ZIAGYGMSSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CC(C)(C)OC1(C)C ZINC000132568774 366154209 /nfs/dbraw/zinc/15/42/09/366154209.db2.gz WOIMHXUEPHYYHB-CYBMUJFWSA-N 0 3 280.412 2.123 20 30 CEEDHN CN1CCC[C@]2(CCN(C(=O)c3sccc3C#N)C2)C1 ZINC000336387664 213243823 /nfs/dbraw/zinc/24/38/23/213243823.db2.gz PZDDPTJHMRLOME-HNNXBMFYSA-N 0 3 289.404 2.178 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NCc2ccccc2Cn2cncn2)C1 ZINC000337826463 366176869 /nfs/dbraw/zinc/17/68/69/366176869.db2.gz WHSLTLJNEBCPPM-WMLDXEAASA-N 0 3 295.390 2.498 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCCC1)N1[C@H](C)CC[C@H]1C ZINC000338003167 366189908 /nfs/dbraw/zinc/18/99/08/366189908.db2.gz HENQWIPITZUJBM-JHJVBQTASA-N 0 3 263.385 2.200 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)NCCN1CCCC[C@@H]1C ZINC000338150159 366212927 /nfs/dbraw/zinc/21/29/27/366212927.db2.gz IXEJIHISLFMXOP-ZDUSSCGKSA-N 0 3 285.391 2.471 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2ccccc2N2CCOCC2)C1 ZINC000349822446 283067476 /nfs/dbraw/zinc/06/74/76/283067476.db2.gz PMHJMSIVAFMZFO-HOCLYGCPSA-N 0 3 285.391 2.305 20 30 CEEDHN C[C@H](NC[C@@]1(O)CCSC1)c1cccc(C#N)c1 ZINC000271852850 191369303 /nfs/dbraw/zinc/36/93/03/191369303.db2.gz IXAKZOFEUDADCQ-FZMZJTMJSA-N 0 3 262.378 2.077 20 30 CEEDHN N#Cc1ccc(CN2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)cc1 ZINC000377167896 283143995 /nfs/dbraw/zinc/14/39/95/283143995.db2.gz GNPMGYIVGJTKTG-PMPSAXMXSA-N 0 3 283.375 2.177 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C)(C)C1 ZINC000076013946 363507318 /nfs/dbraw/zinc/50/73/18/363507318.db2.gz DGJHLPCKXPHHDU-CYBMUJFWSA-N 0 3 250.386 2.307 20 30 CEEDHN C=CCCN1CCCN(c2nc(CC)ns2)CC1 ZINC000076184853 363528888 /nfs/dbraw/zinc/52/88/88/363528888.db2.gz DDEHBNXJEGEFNA-UHFFFAOYSA-N 0 3 266.414 2.189 20 30 CEEDHN C=CCCCN(C)Cc1cc(=O)n2ccccc2n1 ZINC000076734732 363544737 /nfs/dbraw/zinc/54/47/37/363544737.db2.gz MAKHJLORDYQQDX-UHFFFAOYSA-N 0 3 257.337 2.093 20 30 CEEDHN N#Cc1cccc(C#N)c1N1CCC[C@@H](N2CCCC2)C1 ZINC000302493577 283203207 /nfs/dbraw/zinc/20/32/07/283203207.db2.gz ZYVWANOVVBIMOW-MRXNPFEDSA-N 0 3 280.375 2.495 20 30 CEEDHN N#Cc1cccc(C#N)c1N1CC[C@H](N2CCCC2)C1 ZINC000302444192 283203302 /nfs/dbraw/zinc/20/33/02/283203302.db2.gz NRNHTFQHQSZZHJ-HNNXBMFYSA-N 0 3 266.348 2.104 20 30 CEEDHN C=C(C)CN(CC)C(=O)NC1CCN(C2CC2)CC1 ZINC000079067457 363573403 /nfs/dbraw/zinc/57/34/03/363573403.db2.gz ZCGFALSUHWFTRR-UHFFFAOYSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccc(OC)c2C)CC1 ZINC000668369102 538893712 /nfs/dbraw/zinc/89/37/12/538893712.db2.gz OOHSFVJIEAJNNA-UHFFFAOYSA-N 0 3 288.391 2.384 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2CC3(CC3)C2)CC1 ZINC000668370126 538894069 /nfs/dbraw/zinc/89/40/69/538894069.db2.gz OBLKPJBDOQNMKG-UHFFFAOYSA-N 0 3 262.397 2.333 20 30 CEEDHN C=C(C)[C@H](CO)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000685582039 540344787 /nfs/dbraw/zinc/34/47/87/540344787.db2.gz ZHBZWEJJFCHCFS-PMPSAXMXSA-N 0 3 296.361 2.237 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1N1CC[C@H](CN(C)C)C1 ZINC000338689581 366471124 /nfs/dbraw/zinc/47/11/24/366471124.db2.gz OCMZJYDGAGOKBC-CQSZACIVSA-N 0 3 271.364 2.149 20 30 CEEDHN C[C@H]1CCN(CC(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000571060265 299292689 /nfs/dbraw/zinc/29/26/89/299292689.db2.gz KFFSTINWGZTLLG-GUYCJALGSA-N 0 3 297.402 2.394 20 30 CEEDHN CC[C@H](C)[C@@H](C)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000147747167 366576745 /nfs/dbraw/zinc/57/67/45/366576745.db2.gz DLEDXHWJADMVMX-QWHCGFSZSA-N 0 3 294.420 2.356 20 30 CEEDHN Cn1cncc1CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000297938456 200306497 /nfs/dbraw/zinc/30/64/97/200306497.db2.gz UZCVYGLKLGSZKE-UHFFFAOYSA-N 0 3 280.375 2.499 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H](C)C1(C)CC1 ZINC000177234078 189038542 /nfs/dbraw/zinc/03/85/42/189038542.db2.gz YPKFIKBEGJLQKB-ZDUSSCGKSA-N 0 3 250.386 2.307 20 30 CEEDHN N#Cc1cccc(C2(NCCn3ccnc3)CC2)c1 ZINC000341975320 216173688 /nfs/dbraw/zinc/17/36/88/216173688.db2.gz SYWSNYOHSMCBCS-UHFFFAOYSA-N 0 3 252.321 2.034 20 30 CEEDHN C=CCCCN1CCN(Cc2cccc(O)c2)CC1 ZINC000177782006 189069106 /nfs/dbraw/zinc/06/91/06/189069106.db2.gz UIVPIKYBOLHWOA-UHFFFAOYSA-N 0 3 260.381 2.476 20 30 CEEDHN CC(C)CN(C(=O)c1cc(C#N)c[nH]1)C1CCN(C)CC1 ZINC000177852091 189074412 /nfs/dbraw/zinc/07/44/12/189074412.db2.gz IDIWCURIFBFZJQ-UHFFFAOYSA-N 0 3 288.395 2.079 20 30 CEEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCCCNC2=O)cc1 ZINC000177873834 189075716 /nfs/dbraw/zinc/07/57/16/189075716.db2.gz GQFWCZKLQRDVEA-XJKSGUPXSA-N 0 3 286.375 2.018 20 30 CEEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCCCNC2=O)cc1 ZINC000177873862 189076004 /nfs/dbraw/zinc/07/60/04/189076004.db2.gz GQFWCZKLQRDVEA-BBRMVZONSA-N 0 3 286.375 2.018 20 30 CEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(C#N)CCC1 ZINC000408192751 260593536 /nfs/dbraw/zinc/59/35/36/260593536.db2.gz OXDJTHBIACXUAT-MCIONIFRSA-N 0 3 277.412 2.163 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000180033585 189233781 /nfs/dbraw/zinc/23/37/81/189233781.db2.gz SQIYRUWUZSMGDZ-QWHCGFSZSA-N 0 3 276.380 2.079 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(CC)C[C@@H]1CCOC1 ZINC000677887128 541053168 /nfs/dbraw/zinc/05/31/68/541053168.db2.gz ZMZXTJLJFGUXIP-CABCVRRESA-N 0 3 282.428 2.158 20 30 CEEDHN CC(C)(C)[C@H](NC(=O)[C@@H](N)CCCC#N)C(F)(F)F ZINC000580768369 366779936 /nfs/dbraw/zinc/77/99/36/366779936.db2.gz RTEBHPMUFLSWRG-WPRPVWTQSA-N 0 3 279.306 2.101 20 30 CEEDHN COCC#CCN1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000678045236 541071571 /nfs/dbraw/zinc/07/15/71/541071571.db2.gz CXKGRZSKCAWAEP-IRXDYDNUSA-N 0 3 286.419 2.231 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(NC(=O)CCCCC)CC1 ZINC000678049672 541072788 /nfs/dbraw/zinc/07/27/88/541072788.db2.gz OKUQKTBLPVRZEW-HNNXBMFYSA-N 0 3 282.428 2.084 20 30 CEEDHN C[C@@H](CNc1ccc(C#N)nn1)N1CCc2ccccc2C1 ZINC000301869719 201241369 /nfs/dbraw/zinc/24/13/69/201241369.db2.gz CPIOYVLFPLYSDU-ZDUSSCGKSA-N 0 3 293.374 2.207 20 30 CEEDHN C=CCN(CC=C)CCC(=O)NC(=O)Nc1ccccc1 ZINC000025365743 361624131 /nfs/dbraw/zinc/62/41/31/361624131.db2.gz ACYXYOMVBKMARB-UHFFFAOYSA-N 0 3 287.363 2.399 20 30 CEEDHN C[C@@H]1CCC[C@@H](N(C)CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000026471980 361642036 /nfs/dbraw/zinc/64/20/36/361642036.db2.gz BWBGVXYUWRHMFC-XPKDYRNWSA-N 0 3 277.412 2.305 20 30 CEEDHN CCN1CCCN(c2cc(C#N)ccc2C(C)=O)CC1 ZINC000302031316 201309142 /nfs/dbraw/zinc/30/91/42/201309142.db2.gz CAQMLAAQWGNCHY-UHFFFAOYSA-N 0 3 271.364 2.293 20 30 CEEDHN COc1ccc(CNCCN2CCCCC2)cc1C#N ZINC000087824009 363870971 /nfs/dbraw/zinc/87/09/71/363870971.db2.gz FPZFTJRVIWADJX-UHFFFAOYSA-N 0 3 273.380 2.142 20 30 CEEDHN COCC#CCN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000679823670 541320478 /nfs/dbraw/zinc/32/04/78/541320478.db2.gz OJTJZPPZYHBWNX-CQSZACIVSA-N 0 3 283.375 2.481 20 30 CEEDHN C[C@@H]1C[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])CCN1C ZINC000090795176 364063279 /nfs/dbraw/zinc/06/32/79/364063279.db2.gz YHYOBUDGHRUUNC-ZYHUDNBSSA-N 0 3 274.324 2.361 20 30 CEEDHN C=CCc1cc(CN(C)CC[C@H](C)O)cc(OC)c1O ZINC000093481363 364189805 /nfs/dbraw/zinc/18/98/05/364189805.db2.gz MKNOTROMHPYTKD-LBPRGKRZSA-N 0 3 279.380 2.332 20 30 CEEDHN CO[C@@H]1CCN(Cc2ccc(C#N)s2)C[C@@H]1C ZINC000334738540 364252087 /nfs/dbraw/zinc/25/20/87/364252087.db2.gz NOGXXQYKEQAVKD-GXFFZTMASA-N 0 3 250.367 2.477 20 30 CEEDHN CC#CCCNCc1cc(OC)c(OC)cc1OC ZINC000158305029 366855513 /nfs/dbraw/zinc/85/55/13/366855513.db2.gz ZEDMZVGLLVJYRR-UHFFFAOYSA-N 0 3 263.337 2.215 20 30 CEEDHN C=C(C)CN(CC)C(=O)NC[C@H]1CCCCN1CC ZINC000111883903 364765532 /nfs/dbraw/zinc/76/55/32/364765532.db2.gz ZAIKEAHORANZPV-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN CCCCCN(CCO)CCOc1ccccc1C#N ZINC000112411557 364805941 /nfs/dbraw/zinc/80/59/41/364805941.db2.gz NFDRRLQUGNMNDS-UHFFFAOYSA-N 0 3 276.380 2.422 20 30 CEEDHN CC(=O)N(C)C1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000335749875 364927416 /nfs/dbraw/zinc/92/74/16/364927416.db2.gz FRGJXVWQLJXXTM-UHFFFAOYSA-N 0 3 285.391 2.309 20 30 CEEDHN N#Cc1ccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)cn1 ZINC000115360550 365002148 /nfs/dbraw/zinc/00/21/48/365002148.db2.gz JWGWHGDPGCKNBX-MRXNPFEDSA-N 0 3 298.390 2.044 20 30 CEEDHN N#Cc1ccc(C(=O)N2CCC[C@H](N3CCCCC3)C2)cn1 ZINC000115375311 365004121 /nfs/dbraw/zinc/00/41/21/365004121.db2.gz FUMWVQRMFWDYDN-INIZCTEOSA-N 0 3 298.390 2.044 20 30 CEEDHN C=CCSCCNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000245201327 370806072 /nfs/dbraw/zinc/80/60/72/370806072.db2.gz HIZPYRMRLSFJCR-FRRDWIJNSA-N 0 3 270.442 2.283 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000119300324 365250580 /nfs/dbraw/zinc/25/05/80/365250580.db2.gz LVSVYJWEKLNCPG-UONOGXRCSA-N 0 3 284.403 2.354 20 30 CEEDHN CN(C)CCn1ccc(NCC(C)(C)CCC#N)n1 ZINC000119736655 365318836 /nfs/dbraw/zinc/31/88/36/365318836.db2.gz OWVFFURCDQKBTB-UHFFFAOYSA-N 0 3 263.389 2.187 20 30 CEEDHN CN1CCO[C@H](CN(Cc2ccc(C#N)cc2)CC2CC2)C1 ZINC000275520246 193065310 /nfs/dbraw/zinc/06/53/10/193065310.db2.gz DBNYCAGTAZKHQK-SFHVURJKSA-N 0 3 299.418 2.101 20 30 CEEDHN CC(C)CO[C@H]1CCN(CCCSCC#N)C1 ZINC000119958537 365350468 /nfs/dbraw/zinc/35/04/68/365350468.db2.gz QSWDPCBZFPPSBF-ZDUSSCGKSA-N 0 3 256.415 2.380 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000120328548 365407761 /nfs/dbraw/zinc/40/77/61/365407761.db2.gz LVNWDUQAFBDTDT-ZIAGYGMSSA-N 0 3 288.391 2.262 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@@H](C(C)C)N(C)C ZINC000120117796 365373846 /nfs/dbraw/zinc/37/38/46/365373846.db2.gz WVIZNBQUMXYBHT-MRXNPFEDSA-N 0 3 290.407 2.454 20 30 CEEDHN CCCCCCCN1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120687919 365460246 /nfs/dbraw/zinc/46/02/46/365460246.db2.gz OLWUGDMEQGQERX-AWEZNQCLSA-N 0 3 288.457 2.113 20 30 CEEDHN C=CCCCN(C)CC(=O)N(C)Cc1ccco1 ZINC000121049704 365516319 /nfs/dbraw/zinc/51/63/19/365516319.db2.gz XMWDJGIIYJPHDD-UHFFFAOYSA-N 0 3 250.342 2.136 20 30 CEEDHN C=CCCOCCNCc1cccc([N+](=O)[O-])c1 ZINC000120860285 365486315 /nfs/dbraw/zinc/48/63/15/365486315.db2.gz LETAWHRJMCKSDP-UHFFFAOYSA-N 0 3 250.298 2.277 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC[C@@H]1c1ccc(COC)o1 ZINC000681039570 541491717 /nfs/dbraw/zinc/49/17/17/541491717.db2.gz MHQDQJAKWXLJGL-ZIAGYGMSSA-N 0 3 265.353 2.500 20 30 CEEDHN CC[C@H]1CN(C)CCN1Cc1cc(C#N)ccc1OC ZINC000572395897 299364687 /nfs/dbraw/zinc/36/46/87/299364687.db2.gz MPYNAYIGHOOKBF-HNNXBMFYSA-N 0 3 273.380 2.093 20 30 CEEDHN CCC[C@H](C#N)NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000583858889 367106310 /nfs/dbraw/zinc/10/63/10/367106310.db2.gz YXADQIMGADVQSB-YVECIDJPSA-N 0 3 251.374 2.056 20 30 CEEDHN C[C@@H]1C[C@@H](CO)CN(Cc2ccc(C#N)c(F)c2)C1 ZINC000335555280 212261387 /nfs/dbraw/zinc/26/13/87/212261387.db2.gz LREQWPYOSBRCOS-DGCLKSJQSA-N 0 3 262.328 2.148 20 30 CEEDHN CC(C#N)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000357895110 370833892 /nfs/dbraw/zinc/83/38/92/370833892.db2.gz QZUMUUDBINWBLP-JTQLQIEISA-N 0 3 287.294 2.299 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000245544926 370835916 /nfs/dbraw/zinc/83/59/16/370835916.db2.gz UYEDTNRULYVRGY-CABCVRRESA-N 0 3 292.427 2.366 20 30 CEEDHN CCN1C[C@H](C)N(c2ccc(C#N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000357452854 370818642 /nfs/dbraw/zinc/81/86/42/370818642.db2.gz JEHJRNKJJNAKRU-NEPJUHHUSA-N 0 3 288.351 2.385 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CCCCCC#N ZINC000588459421 367193236 /nfs/dbraw/zinc/19/32/36/367193236.db2.gz KHNXHJAGSSFTAU-KGLIPLIRSA-N 0 3 265.401 2.259 20 30 CEEDHN CN(C)C[C@H]1CCCCN1C(=O)CCCCCC#N ZINC000588624963 367194541 /nfs/dbraw/zinc/19/45/41/367194541.db2.gz UQQWNLKQKLNKIB-CQSZACIVSA-N 0 3 265.401 2.403 20 30 CEEDHN CCOC1CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000341247680 367244446 /nfs/dbraw/zinc/24/44/46/367244446.db2.gz SCRPLKIFCDXNQX-AWEZNQCLSA-N 0 3 272.348 2.006 20 30 CEEDHN CCCN(CCN(C)C)C(=O)c1ccc(F)c(C#N)c1 ZINC000341392039 367317944 /nfs/dbraw/zinc/31/79/44/367317944.db2.gz UWUVQZKEYIOTTC-UHFFFAOYSA-N 0 3 277.343 2.111 20 30 CEEDHN N#CCNC(=O)CN(Cc1ccccc1)C1CCCCC1 ZINC000342213165 367393606 /nfs/dbraw/zinc/39/36/06/367393606.db2.gz WLBMCDFFTNSJIJ-UHFFFAOYSA-N 0 3 285.391 2.461 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N(CCC)CCN1CCCC1 ZINC000342268775 367398204 /nfs/dbraw/zinc/39/82/04/367398204.db2.gz RTJVNAKBLHUOJX-HNNXBMFYSA-N 0 3 282.428 2.302 20 30 CEEDHN C[C@@H]1CSC[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000342299758 367399520 /nfs/dbraw/zinc/39/95/20/367399520.db2.gz BTPTVSDNVWQIRR-DFBGVHRSSA-N 0 3 299.399 2.108 20 30 CEEDHN CSc1ccc([C@H](CNC(=O)[C@@H](C)C#N)N(C)C)cc1 ZINC000341578531 367369134 /nfs/dbraw/zinc/36/91/34/367369134.db2.gz WHVRTIAFKOWESJ-FZMZJTMJSA-N 0 3 291.420 2.287 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC[C@@H]1CCCO1 ZINC000342611436 367450706 /nfs/dbraw/zinc/45/07/06/367450706.db2.gz XYDGKVPKRUHSIS-CABCVRRESA-N 0 3 282.428 2.300 20 30 CEEDHN C=CCCN(C)CC(=O)N(CC(F)(F)F)C(C)C ZINC000342728178 367503468 /nfs/dbraw/zinc/50/34/68/367503468.db2.gz DCGUVMVTMNINRB-UHFFFAOYSA-N 0 3 266.307 2.294 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(N(C)C)cc2)CC1 ZINC000171566314 367568227 /nfs/dbraw/zinc/56/82/27/367568227.db2.gz WPIQEAJMLNYUFE-UHFFFAOYSA-N 0 3 287.407 2.133 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(Cl)cn2C)CC1 ZINC000171722222 367602858 /nfs/dbraw/zinc/60/28/58/367602858.db2.gz WSCAGSWJMKLSBL-UHFFFAOYSA-N 0 3 281.787 2.059 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2ccccc2F)CC1 ZINC000171726193 367603966 /nfs/dbraw/zinc/60/39/66/367603966.db2.gz CJGKITNKNDQHQW-UHFFFAOYSA-N 0 3 276.355 2.135 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CC=CCC2)CC1 ZINC000171725990 367604209 /nfs/dbraw/zinc/60/42/09/367604209.db2.gz TWPHQXRMSYBFLD-AWEZNQCLSA-N 0 3 277.412 2.292 20 30 CEEDHN Cc1cc(C#N)cc(NCCN2CCCC(C)(C)C2)n1 ZINC000343093312 367667580 /nfs/dbraw/zinc/66/75/80/367667580.db2.gz HRXXJVQKRZTWFB-UHFFFAOYSA-N 0 3 272.396 2.218 20 30 CEEDHN CC[C@H](C)N[C@@H](CNc1nccnc1C#N)c1ccco1 ZINC000343279976 367740796 /nfs/dbraw/zinc/74/07/96/367740796.db2.gz YQNSGSMJRNCKHZ-AAEUAGOBSA-N 0 3 285.351 2.483 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(C#N)cc2)CCN1C ZINC000172618743 367789042 /nfs/dbraw/zinc/78/90/42/367789042.db2.gz JKOCCEWVUJGQFR-CJNGLKHVSA-N 0 3 285.391 2.042 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000358072555 370893478 /nfs/dbraw/zinc/89/34/78/370893478.db2.gz KEYWWSIRGPHXIZ-JFUSQASVSA-N 0 3 280.274 2.420 20 30 CEEDHN CN(CCn1cccn1)Cc1ccc(CC#N)cc1 ZINC000343518884 367859267 /nfs/dbraw/zinc/85/92/67/367859267.db2.gz BZBHASYFFHXHES-UHFFFAOYSA-N 0 3 254.337 2.081 20 30 CEEDHN C#Cc1cccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000174785260 368067281 /nfs/dbraw/zinc/06/72/81/368067281.db2.gz IENDSQVNLCLKDN-MRXNPFEDSA-N 0 3 281.359 2.146 20 30 CEEDHN C#Cc1cccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000174785252 368067534 /nfs/dbraw/zinc/06/75/34/368067534.db2.gz IENDSQVNLCLKDN-INIZCTEOSA-N 0 3 281.359 2.146 20 30 CEEDHN C[C@H](CNCc1ccc(C#N)o1)N1CCC(C)CC1 ZINC000174320790 368011112 /nfs/dbraw/zinc/01/11/12/368011112.db2.gz FQMFAZKIIPUWLH-CYBMUJFWSA-N 0 3 261.369 2.361 20 30 CEEDHN N#Cc1ccc(CNC2CCN(CC(F)(F)F)CC2)o1 ZINC000174329408 368012155 /nfs/dbraw/zinc/01/21/55/368012155.db2.gz BWLYXMJGWWTZHZ-UHFFFAOYSA-N 0 3 287.285 2.268 20 30 CEEDHN Cc1nccn1C[C@@H](C)CNCc1ccc(C#N)o1 ZINC000174350444 368014009 /nfs/dbraw/zinc/01/40/09/368014009.db2.gz OQDRCHGMNXGNHA-NSHDSACASA-N 0 3 258.325 2.082 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CCN(C)CC[C@H]1C ZINC000343812048 368017184 /nfs/dbraw/zinc/01/71/84/368017184.db2.gz KEYXMYRTTXTUJX-UONOGXRCSA-N 0 3 267.417 2.467 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@](C)(CC)C1 ZINC000344225765 368115527 /nfs/dbraw/zinc/11/55/27/368115527.db2.gz FEHJBXSIKACPLR-HIFRSBDPSA-N 0 3 265.401 2.117 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)C[C@H]1CC=CCC1 ZINC000344032487 368102306 /nfs/dbraw/zinc/10/23/06/368102306.db2.gz DOMCWJPNKGSIKO-GJZGRUSLSA-N 0 3 277.412 2.283 20 30 CEEDHN C[C@H](C(=O)N1CCC(C#N)CC1)N1CCCCCC1 ZINC000175792946 368176302 /nfs/dbraw/zinc/17/63/02/368176302.db2.gz SHDVHUJMGCRUET-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN C=CC1CCN([C@H]2CCCN(C(C)C)C2=O)CC1 ZINC000177718272 368280272 /nfs/dbraw/zinc/28/02/72/368280272.db2.gz FSGKJENMBOMJHZ-AWEZNQCLSA-N 0 3 250.386 2.284 20 30 CEEDHN C=C(C)COc1cccc(NC(=O)NCCN(C)C)c1 ZINC000180672053 368390908 /nfs/dbraw/zinc/39/09/08/368390908.db2.gz ICFKFBYAKZKCHY-UHFFFAOYSA-N 0 3 277.368 2.325 20 30 CEEDHN C[C@@H](C#N)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000345808109 368430311 /nfs/dbraw/zinc/43/03/11/368430311.db2.gz RTPFGRATSBWPSZ-ZDUSSCGKSA-N 0 3 265.401 2.117 20 30 CEEDHN C[C@@H](NCCNC(=O)c1ccco1)c1cccc(C#N)c1 ZINC000181428883 368454576 /nfs/dbraw/zinc/45/45/76/368454576.db2.gz BDCNVARAGCJRRJ-GFCCVEGCSA-N 0 3 283.331 2.232 20 30 CEEDHN CCC(=O)N1CC[C@@H](N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000181906655 368505719 /nfs/dbraw/zinc/50/57/19/368505719.db2.gz SPYMOMIVACWYQC-SWLSCSKDSA-N 0 3 271.364 2.220 20 30 CEEDHN CN(C)C(=O)CC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000182202623 368534344 /nfs/dbraw/zinc/53/43/44/368534344.db2.gz QNPIONCIKGSWDQ-UHFFFAOYSA-N 0 3 285.391 2.249 20 30 CEEDHN C=CCOc1ccc(C(=O)N2CCCN(CC)CC2)cc1 ZINC000346493469 368693912 /nfs/dbraw/zinc/69/39/12/368693912.db2.gz LDYSKSGPDBLVIC-UHFFFAOYSA-N 0 3 288.391 2.419 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC2CCCC2)CC1 ZINC000358165665 370933045 /nfs/dbraw/zinc/93/30/45/370933045.db2.gz KAPCPEOEJJVIJW-UHFFFAOYSA-N 0 3 265.401 2.269 20 30 CEEDHN C=C(C)[C@H](CC(=O)NC[C@H]1CCCCN1C1CC1)OCC ZINC000347309605 368806155 /nfs/dbraw/zinc/80/61/55/368806155.db2.gz DUOPAYZYGVVCRF-CVEARBPZSA-N 0 3 294.439 2.491 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000348027174 368863592 /nfs/dbraw/zinc/86/35/92/368863592.db2.gz BICBTYXTUBREQE-NWDGAFQWSA-N 0 3 268.320 2.209 20 30 CEEDHN CCC[C@H]1CCCCN1CC(=O)N(CCC#N)CCC#N ZINC000185874565 368877745 /nfs/dbraw/zinc/87/77/45/368877745.db2.gz KIFOFPNSALBFMQ-HNNXBMFYSA-N 0 3 290.411 2.297 20 30 CEEDHN C#C[C@H](C)NC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000186125689 368922694 /nfs/dbraw/zinc/92/26/94/368922694.db2.gz PZSLZZBFLKJCJV-HNNXBMFYSA-N 0 3 299.418 2.280 20 30 CEEDHN C[C@@H](NC(C)(C)c1cccs1)C(=O)N(C)CCC#N ZINC000348316956 368998816 /nfs/dbraw/zinc/99/88/16/368998816.db2.gz JEOQMXYPOHKVRW-LLVKDONJSA-N 0 3 279.409 2.333 20 30 CEEDHN CC#CCNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000186608173 369007335 /nfs/dbraw/zinc/00/73/35/369007335.db2.gz YLMPZVGOLUTVGA-UHFFFAOYSA-N 0 3 289.379 2.080 20 30 CEEDHN C[C@@H](NCCc1cnn(C)c1)c1ccc(C#N)cc1F ZINC000348371680 369023067 /nfs/dbraw/zinc/02/30/67/369023067.db2.gz GLJMDNZTQLSYRK-LLVKDONJSA-N 0 3 272.327 2.324 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000348530325 369072605 /nfs/dbraw/zinc/07/26/05/369072605.db2.gz LPQONJNKWSZOIK-HZPDHXFCSA-N 0 3 288.391 2.016 20 30 CEEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1cc(C#N)cs1 ZINC000348555013 369087247 /nfs/dbraw/zinc/08/72/47/369087247.db2.gz NBNONISYYGOMQP-WPTOEGHWSA-N 0 3 274.389 2.475 20 30 CEEDHN CCOC[C@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C(C)C ZINC000348476041 369057036 /nfs/dbraw/zinc/05/70/36/369057036.db2.gz FWMUQPRNEOZZEZ-YCPHGPKFSA-N 0 3 297.443 2.080 20 30 CEEDHN C[C@@H]1CCCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000187939148 369256609 /nfs/dbraw/zinc/25/66/09/369256609.db2.gz LTWVANNVXMJMDZ-CQSZACIVSA-N 0 3 277.412 2.451 20 30 CEEDHN C=CCCN(C)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000276084399 193209360 /nfs/dbraw/zinc/20/93/60/193209360.db2.gz BHNJWIXUGVNWAM-CQSZACIVSA-N 0 3 272.392 2.468 20 30 CEEDHN CN(C)C1(CNC(=O)/C=C/c2ccc(C#N)cc2)CCC1 ZINC000276093389 193211444 /nfs/dbraw/zinc/21/14/44/193211444.db2.gz YFYUSNFLFPNBNI-CMDGGOBGSA-N 0 3 283.375 2.172 20 30 CEEDHN COc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1OC ZINC000349827059 369413166 /nfs/dbraw/zinc/41/31/66/369413166.db2.gz GLSIGIOXPKZLHK-DGCLKSJQSA-N 0 3 260.337 2.486 20 30 CEEDHN CN(C)C1(CNC(=O)/C=C/c2ccccc2C#N)CCC1 ZINC000276109539 193216181 /nfs/dbraw/zinc/21/61/81/193216181.db2.gz ZZKXFVZJNVTLGE-CMDGGOBGSA-N 0 3 283.375 2.172 20 30 CEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc(C#N)cc2)C1 ZINC000246501324 370969345 /nfs/dbraw/zinc/96/93/45/370969345.db2.gz FASIZGLZCHGMEL-IRXDYDNUSA-N 0 3 297.402 2.043 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(CC)[C@H](C)C(C)C ZINC000246664177 370991144 /nfs/dbraw/zinc/99/11/44/370991144.db2.gz JDXQDMJGJDJUFC-ZIAGYGMSSA-N 0 3 267.417 2.361 20 30 CEEDHN C[C@@H]1CC[C@H](N[C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000351291015 369633208 /nfs/dbraw/zinc/63/32/08/369633208.db2.gz QOPITJSLFAMPGO-KNPMLCFXSA-N 0 3 285.391 2.499 20 30 CEEDHN C=CCCCCNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000351660996 369646758 /nfs/dbraw/zinc/64/67/58/369646758.db2.gz JBACOVUHRADVPO-STQMWFEESA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CCCC[C@H]1CCC(C)C ZINC000351680754 369648050 /nfs/dbraw/zinc/64/80/50/369648050.db2.gz SUGQLQILFJTRQC-AWEZNQCLSA-N 0 3 295.427 2.289 20 30 CEEDHN C[C@H](NCC(C)(C)OCCO)c1ccc(C#N)cc1F ZINC000352519395 369770240 /nfs/dbraw/zinc/77/02/40/369770240.db2.gz OHWHYMVFDWMSPF-NSHDSACASA-N 0 3 280.343 2.135 20 30 CEEDHN Cn1cc(CNCc2ccc(C3OCCO3)cc2)cc1C#N ZINC000276564499 193381589 /nfs/dbraw/zinc/38/15/89/193381589.db2.gz ABFCCJINVZRXQG-UHFFFAOYSA-N 0 3 297.358 2.232 20 30 CEEDHN C=C(CC)CN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352671592 369828352 /nfs/dbraw/zinc/82/83/52/369828352.db2.gz ODOCFDHARPZFQS-QWRGUYRKSA-N 0 3 251.292 2.445 20 30 CEEDHN C#CCCCC(=O)N(CCN(C)C)c1ccccc1 ZINC000192241073 369784260 /nfs/dbraw/zinc/78/42/60/369784260.db2.gz HINWUIUCQMVZGR-UHFFFAOYSA-N 0 3 258.365 2.385 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H](CO)C1CCCC1 ZINC000352704449 369847100 /nfs/dbraw/zinc/84/71/00/369847100.db2.gz FPMDWUSSCJLKAC-HNNXBMFYSA-N 0 3 274.364 2.208 20 30 CEEDHN CCCCN(C)CCNC(=O)c1ccc(F)c(C#N)c1 ZINC000352842645 369908859 /nfs/dbraw/zinc/90/88/59/369908859.db2.gz MLMJGUBEGCUPGP-UHFFFAOYSA-N 0 3 277.343 2.159 20 30 CEEDHN CN(C[C@@H](O)c1ccc(C#N)cc1)C[C@@H]1CCCCO1 ZINC000218412582 370210053 /nfs/dbraw/zinc/21/00/53/370210053.db2.gz PXCVXFNANKXTBQ-JKSUJKDBSA-N 0 3 274.364 2.093 20 30 CEEDHN C[C@H](CO)CCCNCc1ccc(C#N)cc1F ZINC000230158323 370443211 /nfs/dbraw/zinc/44/32/11/370443211.db2.gz PCMRPZUVOPRRDD-NSHDSACASA-N 0 3 250.317 2.196 20 30 CEEDHN CC(C)[C@@H](CCO)NCc1cc(C#N)ccc1F ZINC000231041276 370473859 /nfs/dbraw/zinc/47/38/59/370473859.db2.gz VOHQCBUPDNPUBB-CQSZACIVSA-N 0 3 250.317 2.194 20 30 CEEDHN COc1cc(CN[C@]2(C)CCCOC2)ccc1C#N ZINC000234958241 370552142 /nfs/dbraw/zinc/55/21/42/370552142.db2.gz QKUNKZCBFFPDQM-OAHLLOKOSA-N 0 3 260.337 2.226 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@H]1CCCN1CCC ZINC000358285910 370992813 /nfs/dbraw/zinc/99/28/13/370992813.db2.gz AYKLOIHIGCEANW-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN C#C[C@@H](C)NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000248609817 371222247 /nfs/dbraw/zinc/22/22/47/371222247.db2.gz WVEDWYICYPNTPT-CVEARBPZSA-N 0 3 299.418 2.314 20 30 CEEDHN CC#CCCCC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000248643742 371228882 /nfs/dbraw/zinc/22/88/82/371228882.db2.gz ZDFFNNYDQUWHOL-KBPBESRZSA-N 0 3 250.386 2.121 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCS[C@H](C)CC1 ZINC000248950195 371273367 /nfs/dbraw/zinc/27/33/67/371273367.db2.gz 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CEEDHN C=CCCCN(C)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418627273 376317577 /nfs/dbraw/zinc/31/75/77/376317577.db2.gz APOSOAYFUHXXKN-INIZCTEOSA-N 0 3 287.407 2.481 20 30 CEEDHN Cc1ncccc1OC[C@H]1CCCN1CCOCCC#N ZINC000419393303 376449179 /nfs/dbraw/zinc/44/91/79/376449179.db2.gz PUJVJKIXFBMYAF-OAHLLOKOSA-N 0 3 289.379 2.164 20 30 CEEDHN Cc1nnc(CCNCc2ccc(C#N)cc2F)s1 ZINC000289787579 376500872 /nfs/dbraw/zinc/50/08/72/376500872.db2.gz JYNKIUKCECCZAV-UHFFFAOYSA-N 0 3 276.340 2.190 20 30 CEEDHN CCN1CCN(C[C@H](C)CNc2ccc(C#N)cc2)CC1 ZINC000264013216 190088922 /nfs/dbraw/zinc/08/89/22/190088922.db2.gz LWKDUUZFMNFWBP-OAHLLOKOSA-N 0 3 286.423 2.244 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(C)c(Br)c1 ZINC000289852432 376530381 /nfs/dbraw/zinc/53/03/81/376530381.db2.gz NXTDJBWQPIIBCT-LLVKDONJSA-N 0 3 270.170 2.394 20 30 CEEDHN N#Cc1ccc(CNCCOC(F)(F)F)s1 ZINC000309575100 376595699 /nfs/dbraw/zinc/59/56/99/376595699.db2.gz OMLBQQCQGLXVSH-UHFFFAOYSA-N 0 3 250.245 2.246 20 30 CEEDHN C[C@H]1[C@@H](Nc2cc(C#N)ncn2)CCN1Cc1ccccc1 ZINC000309751694 376604489 /nfs/dbraw/zinc/60/44/89/376604489.db2.gz WAUDWBQHSQMOCO-BBRMVZONSA-N 0 3 293.374 2.423 20 30 CEEDHN C[C@H](CNc1cncc(C#N)n1)N1CCCC[C@@H]1C ZINC000420583519 376688682 /nfs/dbraw/zinc/68/86/82/376688682.db2.gz JEIFWILCZJYVRF-NWDGAFQWSA-N 0 3 259.357 2.023 20 30 CEEDHN C[C@H](CNc1cncc(C#N)n1)N1CCc2ccccc2C1 ZINC000420578974 376690110 /nfs/dbraw/zinc/69/01/10/376690110.db2.gz ADDAJTCFVKIUSV-CYBMUJFWSA-N 0 3 293.374 2.207 20 30 CEEDHN N#CC1CCN(Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000420906246 376733516 /nfs/dbraw/zinc/73/35/16/376733516.db2.gz SIFLVGRMEKHRQB-UHFFFAOYSA-N 0 3 299.418 2.254 20 30 CEEDHN CC#CCN1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420923043 376739163 /nfs/dbraw/zinc/73/91/63/376739163.db2.gz HARCGIODIGKNQK-CHWSQXEVSA-N 0 3 251.370 2.452 20 30 CEEDHN C=CCN1CC[C@H](N2CC[C@H](C3CCCC3)C2)C1=O ZINC000420965959 376752671 /nfs/dbraw/zinc/75/26/71/376752671.db2.gz UCGMOAMLFKDNKD-GJZGRUSLSA-N 0 3 262.397 2.285 20 30 CEEDHN Cc1c(C(=O)C(C#N)c2cc(C)nc(C)n2)ccn1C ZINC000684948502 542095706 /nfs/dbraw/zinc/09/57/06/542095706.db2.gz MYNBBGUAMRMSKW-CYBMUJFWSA-N 0 3 268.320 2.230 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccc(Br)cn1 ZINC000320219807 376821358 /nfs/dbraw/zinc/82/13/58/376821358.db2.gz GTAZMFGPSINYFY-LBPRGKRZSA-N 0 3 285.185 2.261 20 30 CEEDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1nccn2ccnc12 ZINC000328797845 376899596 /nfs/dbraw/zinc/89/95/96/376899596.db2.gz FOIRQKFYYGYIBC-LBPRGKRZSA-N 0 3 299.378 2.051 20 30 CEEDHN CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CC[C@@H](C#N)C1 ZINC000328612139 376861617 /nfs/dbraw/zinc/86/16/17/376861617.db2.gz PASJUZMXDGOORD-KBXIAJHMSA-N 0 3 288.395 2.405 20 30 CEEDHN C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)N(C)C1CC1 ZINC000328651633 376871665 /nfs/dbraw/zinc/87/16/65/376871665.db2.gz BOZMNRXSBPICBZ-NSHDSACASA-N 0 3 276.384 2.007 20 30 CEEDHN O=C(NC[C@H](O)C1CC1)[C@H]1CCCN1C1CCCC1 ZINC000328657866 376874721 /nfs/dbraw/zinc/87/47/21/376874721.db2.gz PWZHMFWFTOGOKP-KGLIPLIRSA-N 0 3 266.385 2.121 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@H](c3nc(C4CC4)no3)C2)C1 ZINC000328724253 376885337 /nfs/dbraw/zinc/88/53/37/376885337.db2.gz AVTOFZBBOQFQEW-RAIGVLPGSA-N 0 3 272.352 2.429 20 30 CEEDHN O=C(NCc1nc2cccnc2[nH]1)C1CCN(C2CC2)CC1 ZINC000328783688 376897074 /nfs/dbraw/zinc/89/70/74/376897074.db2.gz VJTWPQWZRFTTNV-UHFFFAOYSA-N 0 3 299.378 2.289 20 30 CEEDHN C=CCC[C@H](O)CN1CCC=C(c2ccccn2)C1 ZINC000562477383 376906523 /nfs/dbraw/zinc/90/65/23/376906523.db2.gz KAULYWIAEZLXQW-HNNXBMFYSA-N 0 3 258.365 2.498 20 30 CEEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cnccc1N ZINC000422995081 376913648 /nfs/dbraw/zinc/91/36/48/376913648.db2.gz XAGPJHFTZDQHSD-GFCCVEGCSA-N 0 3 282.347 2.095 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000328875653 376914344 /nfs/dbraw/zinc/91/43/44/376914344.db2.gz SFZDQLJZYIJTEO-OLZOCXBDSA-N 0 3 290.411 2.346 20 30 CEEDHN Cc1nnc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)n1C1CC1 ZINC000329403203 376960598 /nfs/dbraw/zinc/96/05/98/376960598.db2.gz CAASYVNOTOKUQO-PHIMTYICSA-N 0 3 291.399 2.251 20 30 CEEDHN C[C@H](CCO)C1(CNC[C@@H](C#N)CCC#N)CCC1 ZINC000563138801 377104589 /nfs/dbraw/zinc/10/45/89/377104589.db2.gz RMDOKQVDZPADNK-ZIAGYGMSSA-N 0 3 263.385 2.208 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](N2CCOCC2)C1 ZINC000563364478 377189155 /nfs/dbraw/zinc/18/91/55/377189155.db2.gz NKWRVMKRXGSYNO-YJBOKZPZSA-N 0 3 299.418 2.416 20 30 CEEDHN C=C(CNC(=O)N1CC[C@]2(CCN(C)C2)C1)c1ccccc1 ZINC000291831140 377212615 /nfs/dbraw/zinc/21/26/15/377212615.db2.gz GAGSYULXEWNKKI-SFHVURJKSA-N 0 3 299.418 2.437 20 30 CEEDHN C=CCOCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000292720884 377264466 /nfs/dbraw/zinc/26/44/66/377264466.db2.gz ANVFRAPLLBZDFN-INIZCTEOSA-N 0 3 260.381 2.178 20 30 CEEDHN COc1cc(F)ccc1NC(=O)NCC1=CCN(C)CC1 ZINC000330688528 377199558 /nfs/dbraw/zinc/19/95/58/377199558.db2.gz OMQNFZLZJASDCR-UHFFFAOYSA-N 0 3 293.342 2.422 20 30 CEEDHN CC(C)C[C@@H](CNC(=O)C(C)C#N)C(=O)OC(C)(C)C ZINC000424958934 377311555 /nfs/dbraw/zinc/31/15/55/377311555.db2.gz XSGQIVQGSAXLQC-NEPJUHHUSA-N 0 3 282.384 2.266 20 30 CEEDHN CC(C)[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)N1CCCCC1 ZINC000424969452 377315121 /nfs/dbraw/zinc/31/51/21/377315121.db2.gz BIVMWFHTTPHSDA-RRFJBIMHSA-N 0 3 277.412 2.305 20 30 CEEDHN C=CCC1(C(=O)N2CCCN(C(C)C)CC2)CCOCC1 ZINC000424638443 377278427 /nfs/dbraw/zinc/27/84/27/377278427.db2.gz KCKJPILNMIVKQZ-UHFFFAOYSA-N 0 3 294.439 2.302 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000424701873 377286450 /nfs/dbraw/zinc/28/64/50/377286450.db2.gz ISMXGAXPRLLRJD-AWEZNQCLSA-N 0 3 270.442 2.142 20 30 CEEDHN Clc1ccc(C#CCN2CC[C@H](c3nc[nH]n3)C2)cc1 ZINC000425556283 377371053 /nfs/dbraw/zinc/37/10/53/377371053.db2.gz ZZDYECIXYFYXGC-ZDUSSCGKSA-N 0 3 286.766 2.299 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425769936 377380984 /nfs/dbraw/zinc/38/09/84/377380984.db2.gz PRMJWRUWZDPQMS-UONOGXRCSA-N 0 3 279.428 2.324 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](CO)C2CCCCC2)o1 ZINC000293027196 377399108 /nfs/dbraw/zinc/39/91/08/377399108.db2.gz PLAPKUCVJMQIGD-ZDUSSCGKSA-N 0 3 262.353 2.430 20 30 CEEDHN CS[C@H]1CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000331352449 377395753 /nfs/dbraw/zinc/39/57/53/377395753.db2.gz ZJSLDGSNZCRVRJ-NSHDSACASA-N 0 3 295.433 2.386 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C)(OCC)CC1 ZINC000428722286 377499565 /nfs/dbraw/zinc/49/95/65/377499565.db2.gz PAPIHAJUINWCSI-HNNXBMFYSA-N 0 3 294.439 2.467 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000429578240 377517487 /nfs/dbraw/zinc/51/74/87/377517487.db2.gz MLJOEYYKCHRGKS-UMVBOHGHSA-N 0 3 265.401 2.161 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1nc(C)c(C)o1 ZINC000429712002 377520140 /nfs/dbraw/zinc/52/01/40/377520140.db2.gz QZTLJVHILJVLIZ-UHFFFAOYSA-N 0 3 251.374 2.231 20 30 CEEDHN COc1cc(CNCC2(CC#N)CC2)cc(OC)c1 ZINC000430079502 377525898 /nfs/dbraw/zinc/52/58/98/377525898.db2.gz RUJLBPRZNHVUIF-UHFFFAOYSA-N 0 3 260.337 2.487 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C1CCC1)C1CCC1 ZINC000429158360 377511011 /nfs/dbraw/zinc/51/10/11/377511011.db2.gz KCFYAHGIRHXPKN-CYBMUJFWSA-N 0 3 277.412 2.402 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](CSC)C1 ZINC000429299799 377515336 /nfs/dbraw/zinc/51/53/36/377515336.db2.gz YTLWXIGTNUPAGB-AWEZNQCLSA-N 0 3 284.469 2.486 20 30 CEEDHN C=CCCCCCN(C)C(=O)c1ccn(CCN(C)C)n1 ZINC000565190482 377598505 /nfs/dbraw/zinc/59/85/05/377598505.db2.gz QVMOSZBBWXXUAC-UHFFFAOYSA-N 0 3 292.427 2.263 20 30 CEEDHN C=CCn1c(SCC[NH+]2C[C@H](C)C[C@@H](C)C2)n[n-]c1=O ZINC000565240756 377621116 /nfs/dbraw/zinc/62/11/16/377621116.db2.gz DBRPBIUSJJHZJF-VXGBXAGGSA-N 0 3 296.440 2.240 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000332707077 377675610 /nfs/dbraw/zinc/67/56/10/377675610.db2.gz XFYPXJNWADFINI-IHRRRGAJSA-N 0 3 263.385 2.189 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000432095010 377712874 /nfs/dbraw/zinc/71/28/74/377712874.db2.gz ADYIASYDEQERJU-QWHCGFSZSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CC[C@@H](CO)CNCc1ccc(OC)cc1F ZINC000566682931 377765343 /nfs/dbraw/zinc/76/53/43/377765343.db2.gz VHWMRGCJRZZWAK-LLVKDONJSA-N 0 3 253.317 2.109 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccoc1C(=O)OC ZINC000437252304 377840034 /nfs/dbraw/zinc/84/00/34/377840034.db2.gz FDVMLJIZGKCNDD-YPMHNXCESA-N 0 3 279.336 2.137 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCC(F)F ZINC000433385023 377791367 /nfs/dbraw/zinc/79/13/67/377791367.db2.gz XIVVZKDAOZROKM-LLVKDONJSA-N 0 3 252.264 2.140 20 30 CEEDHN CN(C(=O)[C@@H](C#N)CCc1ccccc1)[C@@H]1CCCN(C)C1 ZINC000433365473 377792516 /nfs/dbraw/zinc/79/25/16/377792516.db2.gz PVYVKVVGBLNMTQ-IAGOWNOFSA-N 0 3 299.418 2.312 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000437822338 377868138 /nfs/dbraw/zinc/86/81/38/377868138.db2.gz OJSXHRNMOZNUSD-RDJZCZTQSA-N 0 3 296.455 2.452 20 30 CEEDHN Cc1nocc1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000293953837 377845280 /nfs/dbraw/zinc/84/52/80/377845280.db2.gz PGSPAOIVDDJJSP-UHFFFAOYSA-N 0 3 298.390 2.419 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@H](OCCOC)C2)cc1 ZINC000438546980 377907664 /nfs/dbraw/zinc/90/76/64/377907664.db2.gz POXMJGQZFFBIPG-KRWDZBQOSA-N 0 3 291.391 2.489 20 30 CEEDHN C#CCOc1ccc(CN[C@@H]2C[C@H](C)O[C@H]2C)cc1 ZINC000294685666 378009984 /nfs/dbraw/zinc/00/99/84/378009984.db2.gz AEQMIKLHZQLZLT-HEHGZKQESA-N 0 3 259.349 2.354 20 30 CEEDHN COc1ccc(OCCN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000442634679 377973245 /nfs/dbraw/zinc/97/32/45/377973245.db2.gz HIIDFNBKIYNXFV-STQMWFEESA-N 0 3 260.337 2.356 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)NCC1CCC(C#N)CC1 ZINC000442743189 377989202 /nfs/dbraw/zinc/98/92/02/377989202.db2.gz YOEFMYUAVVEPHO-UHFFFAOYSA-N 0 3 292.427 2.052 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCCCS(=O)(=O)c2ccccc2)C1 ZINC000442777532 377993961 /nfs/dbraw/zinc/99/39/61/377993961.db2.gz IYTYGSMEASNQTP-KGLIPLIRSA-N 0 3 292.404 2.132 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCCNC(=O)c2ccccc2Cl)C1 ZINC000442789216 377996393 /nfs/dbraw/zinc/99/63/93/377996393.db2.gz JQJHNDJGJZRTCB-NEPJUHHUSA-N 0 3 291.782 2.352 20 30 CEEDHN C#Cc1ccc(CN[C@@H](CC)[C@@H](O)C(F)F)cc1 ZINC000294998756 378034495 /nfs/dbraw/zinc/03/44/95/378034495.db2.gz ICWCTFORZXMZHR-QWHCGFSZSA-N 0 3 253.292 2.162 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](C(C)C)C1 ZINC000446731459 378086326 /nfs/dbraw/zinc/08/63/26/378086326.db2.gz IKVPWKWTWAZTQJ-AWEZNQCLSA-N 0 3 252.402 2.389 20 30 CEEDHN CSCc1cc(F)ccc1CNC(=O)C(C)C#N ZINC000446505827 378086374 /nfs/dbraw/zinc/08/63/74/378086374.db2.gz RBMWFMMCQZFTOG-VIFPVBQESA-N 0 3 266.341 2.465 20 30 CEEDHN C=CCc1cc(CN(C)[C@H](CC)CO)cc(OC)c1O ZINC000295126430 378043771 /nfs/dbraw/zinc/04/37/71/378043771.db2.gz NZJQMQLEYCKYSO-CQSZACIVSA-N 0 3 279.380 2.332 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1CC(=O)c1cccs1 ZINC000443676001 378070519 /nfs/dbraw/zinc/07/05/19/378070519.db2.gz TZOOWXIXOPJGHC-WDEREUQCSA-N 0 3 276.361 2.472 20 30 CEEDHN CCOC(=O)C1(O)CCN(CCCCC(C)(C)C#N)CC1 ZINC000444656129 378077778 /nfs/dbraw/zinc/07/77/78/378077778.db2.gz ZNZRTHSRTIHCKX-UHFFFAOYSA-N 0 3 296.411 2.096 20 30 CEEDHN Cc1cc(C)cc(CN(C)CCC(=O)N(C)CCC#N)c1 ZINC000444701221 378078803 /nfs/dbraw/zinc/07/88/03/378078803.db2.gz VYWSXUBWFOPGSN-UHFFFAOYSA-N 0 3 287.407 2.497 20 30 CEEDHN C=CC[C@@H]1N(CC(=O)NC2CC2)CCCC1(C)C ZINC000444781474 378080769 /nfs/dbraw/zinc/08/07/69/378080769.db2.gz PDBFAYWBPOBWKF-ZDUSSCGKSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cnn(-c2ccc(F)cc2)c1 ZINC000449696005 378222361 /nfs/dbraw/zinc/22/23/61/378222361.db2.gz GVCVNIBQMFXGFS-HNNXBMFYSA-N 0 3 289.354 2.428 20 30 CEEDHN C=CCOc1ccc(CN2C[C@@H](C)C[C@H](O)C2)cc1OC ZINC000449769205 378228055 /nfs/dbraw/zinc/22/80/55/378228055.db2.gz UOGPEGUJTWPRFM-ZFWWWQNUSA-N 0 3 291.391 2.463 20 30 CEEDHN COc1ccc(CN2CC[C@@H](CCCO)C2)cc1C#N ZINC000449794116 378234549 /nfs/dbraw/zinc/23/45/49/378234549.db2.gz ZTVQBGQWSMVRBK-CYBMUJFWSA-N 0 3 274.364 2.161 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC1(CO)CCCC1 ZINC000450400938 378395774 /nfs/dbraw/zinc/39/57/74/378395774.db2.gz HEQMUHNUSSLKNE-HNNXBMFYSA-N 0 3 286.375 2.180 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC2=CCCCC2)CC1 ZINC000296326715 378492955 /nfs/dbraw/zinc/49/29/55/378492955.db2.gz HDCWVLVZTABAEW-UHFFFAOYSA-N 0 3 277.412 2.436 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC)c1ccccc1 ZINC000296795985 378653180 /nfs/dbraw/zinc/65/31/80/378653180.db2.gz HULMIUZYNXGKKM-INIZCTEOSA-N 0 3 287.407 2.392 20 30 CEEDHN CC#CCN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000297170228 378668954 /nfs/dbraw/zinc/66/89/54/378668954.db2.gz ADFZFUXXVJYMDO-GOEBONIOSA-N 0 3 287.407 2.343 20 30 CEEDHN C#C[C@@H](NC(=O)N(CCN(C)C)Cc1ccco1)C(C)C ZINC000298013158 378691311 /nfs/dbraw/zinc/69/13/11/378691311.db2.gz PASAONGQSOPHJS-OAHLLOKOSA-N 0 3 291.395 2.011 20 30 CEEDHN COC[C@@](C)(O)CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453268654 378850169 /nfs/dbraw/zinc/85/01/69/378850169.db2.gz ZULUXSQUCSRQKJ-NHYWBVRUSA-N 0 3 280.343 2.135 20 30 CEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C/C1CC1 ZINC000266267716 190244730 /nfs/dbraw/zinc/24/47/30/190244730.db2.gz GGNCTTHDMDIXCR-CMDGGOBGSA-N 0 3 297.402 2.415 20 30 CEEDHN CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCN1CCCC1 ZINC000454355824 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N#Cc1ccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)o1 ZINC000334172399 394659989 /nfs/dbraw/zinc/65/99/89/394659989.db2.gz BGGDLCOIIWQMEE-CYBMUJFWSA-N 0 3 287.363 2.242 20 30 CEEDHN C[C@@H](NC(=O)C1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000266201015 394660546 /nfs/dbraw/zinc/66/05/46/394660546.db2.gz YYBXFNVXVWAMDX-GFCCVEGCSA-N 0 3 271.364 2.077 20 30 CEEDHN N#Cc1c(Cl)cccc1N1CCN2CCC[C@@H]2C1 ZINC000094460876 394671096 /nfs/dbraw/zinc/67/10/96/394671096.db2.gz SBXPOGYXJRJBEV-LLVKDONJSA-N 0 3 261.756 2.496 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)c2csc(=O)[nH]2)C1 ZINC000329929981 394596110 /nfs/dbraw/zinc/59/61/10/394596110.db2.gz OAMNPKZRZUCJPQ-UHFFFAOYSA-N 0 3 283.397 2.275 20 30 CEEDHN Cc1cnc(NC(=O)N2CCCN(C3CCCC3)CC2)o1 ZINC000330036524 394598992 /nfs/dbraw/zinc/59/89/92/394598992.db2.gz YIKVPSXGTXBJIZ-UHFFFAOYSA-N 0 3 292.383 2.479 20 30 CEEDHN CC[C@H](C(=O)N[C@H](CCC#N)c1ccccc1)N(C)C ZINC000413651268 394609852 /nfs/dbraw/zinc/60/98/52/394609852.db2.gz HOTZFSVJBFFWAC-HUUCEWRRSA-N 0 3 273.380 2.488 20 30 CEEDHN CC(C)N1C[C@H](NC(=O)c2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000330489950 394616019 /nfs/dbraw/zinc/61/60/19/394616019.db2.gz LHTTYAUJLCLSFW-BBRMVZONSA-N 0 3 285.391 2.211 20 30 CEEDHN CN(CCCSCC#N)[C@H](CO)c1ccccc1 ZINC000266765012 394668919 /nfs/dbraw/zinc/66/89/19/394668919.db2.gz UNCAPZFEGKUVGP-CQSZACIVSA-N 0 3 264.394 2.299 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000335089452 394736048 /nfs/dbraw/zinc/73/60/48/394736048.db2.gz FULNDQXDXWEPJH-OAHLLOKOSA-N 0 3 250.386 2.143 20 30 CEEDHN COCC[C@H](C)N1CCN(c2ccccc2C#N)CC1 ZINC000268016130 394687803 /nfs/dbraw/zinc/68/78/03/394687803.db2.gz UAQSOGPGVMSALC-AWEZNQCLSA-N 0 3 273.380 2.105 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000268168735 394689864 /nfs/dbraw/zinc/68/98/64/394689864.db2.gz QGTWEPGKVJIATR-QMTHXVAHSA-N 0 3 286.335 2.361 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CCC1 ZINC000359299840 394746390 /nfs/dbraw/zinc/74/63/90/394746390.db2.gz HHEWTBILTVZXFE-CHWSQXEVSA-N 0 3 250.386 2.332 20 30 CEEDHN C=C(CC)CN1CCC(N2CCO[C@H](C)C2)CC1 ZINC000358512395 394723622 /nfs/dbraw/zinc/72/36/22/394723622.db2.gz SEXBUFALUDZPEY-CQSZACIVSA-N 0 3 252.402 2.138 20 30 CEEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)s1 ZINC000335241586 394751885 /nfs/dbraw/zinc/75/18/85/394751885.db2.gz TUZFVHOFDKIBCG-SMDDNHRTSA-N 0 3 289.404 2.110 20 30 CEEDHN C#CC[C@H](NCCC(=O)N(C)CCC#N)c1ccccc1 ZINC000271734833 394762436 /nfs/dbraw/zinc/76/24/36/394762436.db2.gz TVSDZZFJDRTSFA-INIZCTEOSA-N 0 3 283.375 2.103 20 30 CEEDHN COCCOC1CCN(CCC(C)(C)C#N)CC1 ZINC000119663108 394770692 /nfs/dbraw/zinc/77/06/92/394770692.db2.gz HGJVUHRCNJSGTI-UHFFFAOYSA-N 0 3 254.374 2.054 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)NCC(C)(C)CCC#N ZINC000359757834 394773297 /nfs/dbraw/zinc/77/32/97/394773297.db2.gz NTTVUMRRFVHSOQ-ZDUSSCGKSA-N 0 3 265.401 2.307 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)CCCC#N ZINC000360176329 394792227 /nfs/dbraw/zinc/79/22/27/394792227.db2.gz VLFLVCLMDDEWPK-BETUJISGSA-N 0 3 251.374 2.059 20 30 CEEDHN C=CCN(CCOC)C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000361092514 394816049 /nfs/dbraw/zinc/81/60/49/394816049.db2.gz JXHBOUDZBOLBDU-OAHLLOKOSA-N 0 3 282.428 2.158 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC(C)(C#N)CC1 ZINC000335971752 394816100 /nfs/dbraw/zinc/81/61/00/394816100.db2.gz ISCSYQDZDWQRTD-BETUJISGSA-N 0 3 263.385 2.011 20 30 CEEDHN CCO[C@@H]1COCC[C@@H]1NCC#Cc1ccccc1Cl ZINC000362029375 394842677 /nfs/dbraw/zinc/84/26/77/394842677.db2.gz SMSVQOBBDAXJDB-JKSUJKDBSA-N 0 3 293.794 2.475 20 30 CEEDHN CCO[C@H]1COCC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000362030788 394842758 /nfs/dbraw/zinc/84/27/58/394842758.db2.gz YFCLCPLSVZKKAL-HOTGVXAUSA-N 0 3 293.794 2.475 20 30 CEEDHN CN1CCN(Cc2ccc(CC#N)cc2)C(C)(C)C1 ZINC000336358061 394847556 /nfs/dbraw/zinc/84/75/56/394847556.db2.gz VFHKUBKDDTXQMD-UHFFFAOYSA-N 0 3 257.381 2.279 20 30 CEEDHN Cc1ccccc1[C@@H](C)NCC(=O)N(CCC#N)CCC#N ZINC000126662325 394847946 /nfs/dbraw/zinc/84/79/46/394847946.db2.gz CQDMFKXLMWZDAB-OAHLLOKOSA-N 0 3 298.390 2.302 20 30 CEEDHN C[C@]1(F)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000336408805 394852493 /nfs/dbraw/zinc/85/24/93/394852493.db2.gz CZFKTAYZBMPPKF-ZBFHGGJFSA-N 0 3 285.322 2.201 20 30 CEEDHN C=C[C@@H](C)NC(=O)NCCN1CCCC[C@@H]1CC ZINC000362369482 394856448 /nfs/dbraw/zinc/85/64/48/394856448.db2.gz GOOWSJYNWCWFEZ-OLZOCXBDSA-N 0 3 253.390 2.125 20 30 CEEDHN CC(C#N)C(=O)NC1(C(N)=O)CCC(C)(C)CC1 ZINC000336445306 394856551 /nfs/dbraw/zinc/85/65/51/394856551.db2.gz YLCJJIDEPHGSLW-SECBINFHSA-N 0 3 251.330 2.137 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](C2CC2)C1 ZINC000362412731 394860208 /nfs/dbraw/zinc/86/02/08/394860208.db2.gz HSBKHPSXQIXQJI-CQSZACIVSA-N 0 3 250.386 2.143 20 30 CEEDHN C=CCN1CC[C@@H](N(C)[C@H]2CCc3ccccc32)C1=O ZINC000281992227 394891681 /nfs/dbraw/zinc/89/16/81/394891681.db2.gz MWTUKYZMNVVNOK-JKSUJKDBSA-N 0 3 270.376 2.393 20 30 CEEDHN C=CCCCCCN(C)[C@H]1CCN(CC=C)C1=O ZINC000282035550 394899987 /nfs/dbraw/zinc/89/99/87/394899987.db2.gz QMPAHIJAJZUXKW-AWEZNQCLSA-N 0 3 250.386 2.452 20 30 CEEDHN C=CCN1CC[C@@H](NC2(c3ccccc3)CCC2)C1=O ZINC000282132240 394910970 /nfs/dbraw/zinc/91/09/70/394910970.db2.gz YWRPJRDSIIKPCV-OAHLLOKOSA-N 0 3 270.376 2.442 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000282764146 394924006 /nfs/dbraw/zinc/92/40/06/394924006.db2.gz XBZLZHVQYVDRPC-OCCSQVGLSA-N 0 3 265.401 2.291 20 30 CEEDHN CC#CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000283066748 394928510 /nfs/dbraw/zinc/92/85/10/394928510.db2.gz XBNYWJZGANXOJS-ZDUSSCGKSA-N 0 3 264.756 2.082 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3nnc4n3CCC4)C2)C1 ZINC000338980244 394935108 /nfs/dbraw/zinc/93/51/08/394935108.db2.gz ISLSPFLZXBIABZ-MGPQQGTHSA-N 0 3 285.395 2.096 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)C1 ZINC000339047485 394938546 /nfs/dbraw/zinc/93/85/46/394938546.db2.gz QHVRPBOSULLDOW-VRKREXBASA-N 0 3 287.407 2.154 20 30 CEEDHN CC[C@@H](NCCOCCC#N)c1ccc2c(c1)OCCO2 ZINC000339072164 394940363 /nfs/dbraw/zinc/94/03/63/394940363.db2.gz TWWLEATXYHBJOE-CQSZACIVSA-N 0 3 290.363 2.429 20 30 CEEDHN C=CCC[C@H](NC[C@@]1(O)CCOC1)c1ccco1 ZINC000285961527 394992003 /nfs/dbraw/zinc/99/20/03/394992003.db2.gz FMUBJKPPKVXEQI-JSGCOSHPSA-N 0 3 251.326 2.028 20 30 CEEDHN C#CC(C)(C)N(C)CCC(=O)Nc1ccc(OC)cc1 ZINC000286286389 395018554 /nfs/dbraw/zinc/01/85/54/395018554.db2.gz UWUFASVKCIUVNE-UHFFFAOYSA-N 0 3 274.364 2.367 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCCC[C@@H](SC)C1 ZINC000134602478 394957961 /nfs/dbraw/zinc/95/79/61/394957961.db2.gz JFKAETNGKRXMKQ-CQSZACIVSA-N 0 3 282.453 2.405 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)C(C)(C)C#N)CN1Cc1ccccc1 ZINC000134945897 394960471 /nfs/dbraw/zinc/96/04/71/394960471.db2.gz DXJYVDXQIJLVSR-UKRRQHHQSA-N 0 3 285.391 2.315 20 30 CEEDHN C#CCN(Cc1ccccc1)C[C@@H](O)CC(F)(F)F ZINC000285641617 394961473 /nfs/dbraw/zinc/96/14/73/394961473.db2.gz LHVNRPFVOQJBDR-ZDUSSCGKSA-N 0 3 271.282 2.435 20 30 CEEDHN C=CCN(CC)Cc1cn(C)nc1-c1ccncc1 ZINC000367550208 394965303 /nfs/dbraw/zinc/96/53/03/394965303.db2.gz QHRGVFZXUMTCNE-UHFFFAOYSA-N 0 3 256.353 2.490 20 30 CEEDHN C=CCOCCCN1CCOC[C@H]1CC1CCC1 ZINC000339770649 394970737 /nfs/dbraw/zinc/97/07/37/394970737.db2.gz FEKLRVSYZGHYKL-OAHLLOKOSA-N 0 3 253.386 2.470 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000373241923 395057826 /nfs/dbraw/zinc/05/78/26/395057826.db2.gz GRCAVZHCPGGQAG-ZDUSSCGKSA-N 0 3 290.411 2.113 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)C2(C#N)CCC2)CCN1Cc1ccccc1 ZINC000288432462 395059690 /nfs/dbraw/zinc/05/96/90/395059690.db2.gz XYDJNORTVHQVSI-HOCLYGCPSA-N 0 3 297.402 2.459 20 30 CEEDHN C[C@H]1CN(CCCSCC#N)C[C@H](C2CC2)O1 ZINC000373431502 395060970 /nfs/dbraw/zinc/06/09/70/395060970.db2.gz LTKHVVVWDHHSMV-WCQYABFASA-N 0 3 254.399 2.133 20 30 CEEDHN Cc1cccc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1[O-] ZINC000373489024 395062035 /nfs/dbraw/zinc/06/20/35/395062035.db2.gz JCKPDGYFIDSBBQ-UHFFFAOYSA-N 0 3 297.362 2.001 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)[C@@H](N)CC(F)F ZINC000345720766 395074630 /nfs/dbraw/zinc/07/46/30/395074630.db2.gz USBPWBKKDLEJDZ-LBPRGKRZSA-N 0 3 286.297 2.323 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000289350730 395075508 /nfs/dbraw/zinc/07/55/08/395075508.db2.gz MYXSZHVKWDAAFE-MRXNPFEDSA-N 0 3 266.348 2.097 20 30 CEEDHN Cc1ccc([C@@H](CNC(=O)[C@@H](C)C#N)N2CCCC2)cc1 ZINC000345773631 395076431 /nfs/dbraw/zinc/07/64/31/395076431.db2.gz YTDPEFPRNMAZLC-GOEBONIOSA-N 0 3 285.391 2.408 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccncc1)Cc1cccnc1 ZINC000345770209 395076624 /nfs/dbraw/zinc/07/66/24/395076624.db2.gz TVFVXAQQSIFAGU-CYBMUJFWSA-N 0 3 280.331 2.165 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@H](C(=O)NCCC)C2)cc1 ZINC000289470787 395078389 /nfs/dbraw/zinc/07/83/89/395078389.db2.gz ZADLCJZTOCNHRU-KRWDZBQOSA-N 0 3 284.403 2.406 20 30 CEEDHN C#C[C@H](NCc1ccc(O[C@H](C)C(=O)OC)cc1)C(C)C ZINC000289518753 395079164 /nfs/dbraw/zinc/07/91/64/395079164.db2.gz PDQYAUVVCXIZGY-CJNGLKHVSA-N 0 3 289.375 2.374 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@@H](O)CN(C)C1CC1 ZINC000289710659 395084574 /nfs/dbraw/zinc/08/45/74/395084574.db2.gz GIHMEZKGLVBZIO-KRWDZBQOSA-N 0 3 274.408 2.130 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1C(=O)NCCN1CCCC[C@@H]1CC ZINC000346004852 395084635 /nfs/dbraw/zinc/08/46/35/395084635.db2.gz LXGQPVQPROCFJU-XHSDSOJGSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCC[C@@H](NCCCn1cc(CO)nn1)c1ccco1 ZINC000289710236 395084981 /nfs/dbraw/zinc/08/49/81/395084981.db2.gz IZWVDJRMTUOWQX-CQSZACIVSA-N 0 3 290.367 2.051 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CCN(C2CC2)CC1 ZINC000346281715 395093840 /nfs/dbraw/zinc/09/38/40/395093840.db2.gz LQYQECGSNUGMER-MRXNPFEDSA-N 0 3 297.402 2.066 20 30 CEEDHN C#CCCCCN[C@@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000372358977 395040742 /nfs/dbraw/zinc/04/07/42/395040742.db2.gz UAYZFDLKUZMATR-CQSZACIVSA-N 0 3 295.379 2.437 20 30 CEEDHN CC#CCCCC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372402685 395041218 /nfs/dbraw/zinc/04/12/18/395041218.db2.gz CJZBNAFQGGQTPS-WMZOPIPTSA-N 0 3 299.418 2.384 20 30 CEEDHN C#CCC(CC#C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000287589075 395043744 /nfs/dbraw/zinc/04/37/44/395043744.db2.gz HBTJOJNUVWXBQA-ROUUACIJSA-N 0 3 294.398 2.211 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000343771305 395044637 /nfs/dbraw/zinc/04/46/37/395044637.db2.gz VERZFZSGKYVMAW-UKRRQHHQSA-N 0 3 280.412 2.101 20 30 CEEDHN CC(C)[C@@H](CCO)NCc1cccc(F)c1C#N ZINC000428351405 395147161 /nfs/dbraw/zinc/14/71/61/395147161.db2.gz IBPXPYYGWPXPHR-CQSZACIVSA-N 0 3 250.317 2.194 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)NCC#Cc1ccccc1 ZINC000349120612 395158516 /nfs/dbraw/zinc/15/85/16/395158516.db2.gz UBYKUVYFUOTLJK-MRXNPFEDSA-N 0 3 270.376 2.029 20 30 CEEDHN CCN(CCNC(=O)Nc1ccc(F)cc1C#N)C1CC1 ZINC000177899619 395158718 /nfs/dbraw/zinc/15/87/18/395158718.db2.gz AOVRDJQTMUSJSH-UHFFFAOYSA-N 0 3 290.342 2.303 20 30 CEEDHN CCN(CCC#N)C(=O)CCN1CCc2ccccc2C1 ZINC000348914267 395154807 /nfs/dbraw/zinc/15/48/07/395154807.db2.gz UOQHAECJZQAKCT-UHFFFAOYSA-N 0 3 285.391 2.197 20 30 CEEDHN CN(C[C@@H](O)C(F)(F)F)CC(C)(C)CCC#N ZINC000349404160 395166912 /nfs/dbraw/zinc/16/69/12/395166912.db2.gz FKIMVMALGMAPDE-SECBINFHSA-N 0 3 252.280 2.171 20 30 CEEDHN C[NH+](C)[C@@H]1CCC[C@@H](/N=C/c2ccc(O)c([O-])c2O)C1 ZINC000178704576 395171922 /nfs/dbraw/zinc/17/19/22/395171922.db2.gz NOZIQSHSWRNAGT-RTJZQMKSSA-N 0 3 278.352 2.095 20 30 CEEDHN CC(C)[C@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)N(C)C ZINC000515356269 395174702 /nfs/dbraw/zinc/17/47/02/395174702.db2.gz VIHFJSKGCVUTTR-CQSZACIVSA-N 0 3 295.333 2.039 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@@H]3CCCSC3)n2c1 ZINC000515418293 395175776 /nfs/dbraw/zinc/17/57/76/395175776.db2.gz PCAOALWNQRDKQK-GFCCVEGCSA-N 0 3 272.377 2.191 20 30 CEEDHN CC(C)=CCCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000397764957 395225726 /nfs/dbraw/zinc/22/57/26/395225726.db2.gz YCLLAWCKHAOVIP-UHFFFAOYSA-N 0 3 292.404 2.278 20 30 CEEDHN C=C(C)CN1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000352447162 395254457 /nfs/dbraw/zinc/25/44/57/395254457.db2.gz BCFBTTAGPLWBKF-LLVKDONJSA-N 0 3 278.318 2.343 20 30 CEEDHN C#CCNC(=O)CCN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000292737715 395203440 /nfs/dbraw/zinc/20/34/40/395203440.db2.gz GZECXUACPZKTFG-KRWDZBQOSA-N 0 3 288.366 2.396 20 30 CEEDHN CCc1ccc(C#CC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000293102690 395218237 /nfs/dbraw/zinc/21/82/37/395218237.db2.gz GDERAZVHILOBHU-MAUKXSAKSA-N 0 3 298.430 2.399 20 30 CEEDHN COc1ccccc1[C@H](CNC(=O)C(C)C#N)OC(C)C ZINC000354312691 395326745 /nfs/dbraw/zinc/32/67/45/395326745.db2.gz PYJHLGRKXCYILZ-DOMZBBRYSA-N 0 3 290.363 2.437 20 30 CEEDHN C#CCN(C)CCCNC(=O)C(F)(F)c1ccc(C)cc1 ZINC000293953142 395259464 /nfs/dbraw/zinc/25/94/64/395259464.db2.gz KEYKRBIHUWGYND-UHFFFAOYSA-N 0 3 294.345 2.158 20 30 CEEDHN C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1ccc(CC#N)cc1 ZINC000352889300 395274598 /nfs/dbraw/zinc/27/45/98/395274598.db2.gz XYYIWKNNYGWIPI-QAPCUYQASA-N 0 3 299.418 2.048 20 30 CEEDHN CCCN(CCN1CCCC1=O)Cc1ccc(C#N)cc1 ZINC000298770022 395364976 /nfs/dbraw/zinc/36/49/76/395364976.db2.gz RVFBVTNWYAFYOB-UHFFFAOYSA-N 0 3 285.391 2.393 20 30 CEEDHN COc1cccc([C@@H]2C[C@H]2CNC(=O)C(C)C#N)c1 ZINC000412871279 395369308 /nfs/dbraw/zinc/36/93/08/395369308.db2.gz DRUAIQHBVCEUKZ-OSMZGAPFSA-N 0 3 258.321 2.075 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000435686687 395383740 /nfs/dbraw/zinc/38/37/40/395383740.db2.gz AKZBFSJKVAAHMN-RYUDHWBXSA-N 0 3 289.379 2.452 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1ccc(F)cn1 ZINC000411638986 395333616 /nfs/dbraw/zinc/33/36/16/395333616.db2.gz CPSDFVLIQMORJI-UHFFFAOYSA-N 0 3 251.349 2.160 20 30 CEEDHN COc1cc(CNCCc2cscn2)ccc1C#N ZINC000440609798 395335753 /nfs/dbraw/zinc/33/57/53/395335753.db2.gz HYPZIJQGQDAZOW-UHFFFAOYSA-N 0 3 273.361 2.356 20 30 CEEDHN CC#CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412230542 395352321 /nfs/dbraw/zinc/35/23/21/395352321.db2.gz LBFRTEPPDRVDER-UHFFFAOYSA-N 0 3 270.376 2.426 20 30 CEEDHN C[C@H]1CCN(CCNC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000533268115 395461435 /nfs/dbraw/zinc/46/14/35/395461435.db2.gz WICLEEIFUIUJRP-AWEZNQCLSA-N 0 3 297.402 2.048 20 30 CEEDHN COC(=O)c1cccc(CSCCN(C)C)c1C#N ZINC000533807551 395462440 /nfs/dbraw/zinc/46/24/40/395462440.db2.gz ZNAHJDCNQSOJJK-UHFFFAOYSA-N 0 3 278.377 2.140 20 30 CEEDHN Cc1nccn1CCNCc1ccc(C#N)c(C)c1 ZINC000443975473 395408133 /nfs/dbraw/zinc/40/81/33/395408133.db2.gz AHSUNWISKGIYBU-UHFFFAOYSA-N 0 3 254.337 2.161 20 30 CEEDHN Cc1cc(CNCCN2CCOCC2(C)C)ccc1C#N ZINC000443972853 395408244 /nfs/dbraw/zinc/40/82/44/395408244.db2.gz NUIHETHCTYQEEB-UHFFFAOYSA-N 0 3 287.407 2.067 20 30 CEEDHN CC1(C)CCCN(CCNCc2ccc(C#N)o2)C1 ZINC000444007323 395410512 /nfs/dbraw/zinc/41/05/12/395410512.db2.gz BBYOUMYBLCAHDY-UHFFFAOYSA-N 0 3 261.369 2.363 20 30 CEEDHN CC1(C#N)CCC([NH2+]Cc2nnc(C3CC3)[n-]2)CC1 ZINC000449408439 395546534 /nfs/dbraw/zinc/54/65/34/395546534.db2.gz NPAQQNYQIXLPPC-UHFFFAOYSA-N 0 3 259.357 2.244 20 30 CEEDHN CC1(C#N)CCC(NCc2nnc(C3CC3)[nH]2)CC1 ZINC000449408439 395546536 /nfs/dbraw/zinc/54/65/36/395546536.db2.gz NPAQQNYQIXLPPC-UHFFFAOYSA-N 0 3 259.357 2.244 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1cccc2ccncc21 ZINC000573447219 395609060 /nfs/dbraw/zinc/60/90/60/395609060.db2.gz CAPFTMSSVFXQJL-ZDUSSCGKSA-N 0 3 268.320 2.194 20 30 CEEDHN COCCN1CCC(Nc2cc(C)cc(C#N)c2)CC1 ZINC000449757280 395560455 /nfs/dbraw/zinc/56/04/55/395560455.db2.gz CYENNECPARNMLA-UHFFFAOYSA-N 0 3 273.380 2.389 20 30 CEEDHN CC[C@@H](CNc1ncc(C#N)cc1[N+](=O)[O-])N1CCCC1 ZINC000450257047 395570123 /nfs/dbraw/zinc/57/01/23/395570123.db2.gz JIZOOJLVEUNYDT-LBPRGKRZSA-N 0 3 289.339 2.148 20 30 CEEDHN CCN1CCC[C@H]1CN(C)c1cccc(C#N)c1[N+](=O)[O-] ZINC000450366015 395571190 /nfs/dbraw/zinc/57/11/90/395571190.db2.gz RBNLOMMBHRUVIN-ZDUSSCGKSA-N 0 3 288.351 2.387 20 30 CEEDHN Cc1ccc(N2CCN(C3CC3)C[C@@H](C)C2)nc1C#N ZINC000450549956 395572612 /nfs/dbraw/zinc/57/26/12/395572612.db2.gz WXBLXODNRYTHRD-GFCCVEGCSA-N 0 3 270.380 2.182 20 30 CEEDHN N#CCC[C@@H](C#N)CNCCCN1CCc2ccccc2C1 ZINC000572270594 395585988 /nfs/dbraw/zinc/58/59/88/395585988.db2.gz GMBSYRFKLCEFKB-INIZCTEOSA-N 0 3 296.418 2.468 20 30 CEEDHN N#Cc1ccccc1OCCN1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459727900 395666608 /nfs/dbraw/zinc/66/66/08/395666608.db2.gz RIKXDPXQKDYKRB-JKSUJKDBSA-N 0 3 298.386 2.438 20 30 CEEDHN CC(C)[C@H]1CN(c2ccc(Cl)c(C#N)n2)CCN1C ZINC000487093870 395667055 /nfs/dbraw/zinc/66/70/55/395667055.db2.gz JJKZHOZXNJAADF-CYBMUJFWSA-N 0 3 278.787 2.383 20 30 CEEDHN Cc1cc(CN2CCCC[C@@H]2CC(N)=O)ccc1C#N ZINC000487905263 395667692 /nfs/dbraw/zinc/66/76/92/395667692.db2.gz ASKFTZAIKYWSFN-OAHLLOKOSA-N 0 3 271.364 2.097 20 30 CEEDHN CC(C)[C@H]1CN(Cc2ccc(F)cc2C#N)CCN1C ZINC000488019280 395667836 /nfs/dbraw/zinc/66/78/36/395667836.db2.gz XAAMJNMAGMRGHT-MRXNPFEDSA-N 0 3 275.371 2.469 20 30 CEEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000489446026 395668432 /nfs/dbraw/zinc/66/84/32/395668432.db2.gz FYRBGBCKGMWXAP-JKSUJKDBSA-N 0 3 286.375 2.338 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C\c1ccc(C#N)cc1 ZINC000492142698 395670931 /nfs/dbraw/zinc/67/09/31/395670931.db2.gz DSYGTWFHFOJZBG-KWCDMATRSA-N 0 3 295.386 2.170 20 30 CEEDHN CC#CCN1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000649778902 396257033 /nfs/dbraw/zinc/25/70/33/396257033.db2.gz FKVNIMHIKMXFPZ-OCCSQVGLSA-N 0 3 273.380 2.471 20 30 CEEDHN C=CCOCCNCc1cn(C)nc1-c1ccc(C)o1 ZINC000647200009 396438183 /nfs/dbraw/zinc/43/81/83/396438183.db2.gz CESUPHZIKLPUNP-UHFFFAOYSA-N 0 3 275.352 2.281 20 30 CEEDHN C=CCOc1ccc(CN[C@H](CO)CCF)cc1 ZINC000652014445 401431464 /nfs/dbraw/zinc/43/14/64/401431464.db2.gz AJPKIYRZXIRZOS-ZDUSSCGKSA-N 0 3 253.317 2.062 20 30 CEEDHN C=CCOc1cccc(CN[C@@H](CO)CCF)c1 ZINC000652015095 401432022 /nfs/dbraw/zinc/43/20/22/401432022.db2.gz UHITXIBKENXEAC-CYBMUJFWSA-N 0 3 253.317 2.062 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1cccc(C#N)c1 ZINC000360337614 155275345 /nfs/dbraw/zinc/27/53/45/155275345.db2.gz WJIZNRRFQRZTBI-DVOMOZLQSA-N 0 3 297.402 2.403 20 30 CEEDHN COC[C@@H](CCO)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360647847 155344529 /nfs/dbraw/zinc/34/45/29/155344529.db2.gz OCFADNUSBWLAAS-NVXWUHKLSA-N 0 3 288.391 2.313 20 30 CEEDHN C[C@@H]1CC[C@H](CN[C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360676081 155349508 /nfs/dbraw/zinc/34/95/08/155349508.db2.gz MVZMAZQBLWWODU-ZLDLUXBVSA-N 0 3 271.364 2.110 20 30 CEEDHN N#Cc1c(F)cccc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000189093021 153080728 /nfs/dbraw/zinc/08/07/28/153080728.db2.gz UVSNSDXZNOAKAQ-GFCCVEGCSA-N 0 3 287.338 2.008 20 30 CEEDHN Cn1cc(CN2CC[C@]3(O)CCCC[C@@H]3C2)cc1C#N ZINC000191387855 153171433 /nfs/dbraw/zinc/17/14/33/153171433.db2.gz FVAFRDXOWLXBMO-GDBMZVCRSA-N 0 3 273.380 2.024 20 30 CEEDHN C[C@@H](N[C@H](C)C1(S(C)(=O)=O)CC1)c1cccc(C#N)c1 ZINC000348970488 154305397 /nfs/dbraw/zinc/30/53/97/154305397.db2.gz WOGYAEPOJATMEP-VXGBXAGGSA-N 0 3 292.404 2.175 20 30 CEEDHN Cn1cc(C[C@@H]2CCN(Cc3ccc(C#N)s3)C2)cn1 ZINC000367467415 156194693 /nfs/dbraw/zinc/19/46/93/156194693.db2.gz OHJMWXATYKWQNH-LBPRGKRZSA-N 0 3 286.404 2.418 20 30 CEEDHN N#Cc1cnccc1NC[C@H]1CCCN1Cc1ccccc1 ZINC000368375781 156330571 /nfs/dbraw/zinc/33/05/71/156330571.db2.gz XSYXVVRNURMKRW-QGZVFWFLSA-N 0 3 292.386 2.452 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000376167444 157192361 /nfs/dbraw/zinc/19/23/61/157192361.db2.gz QFPOXQZWUNYUKQ-GOEBONIOSA-N 0 3 298.390 2.425 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H]1CCCN(C)C1 ZINC000040672880 174371202 /nfs/dbraw/zinc/37/12/02/174371202.db2.gz YDFSTBIZKSNGHZ-OAHLLOKOSA-N 0 3 260.381 2.435 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662857774 414776569 /nfs/dbraw/zinc/77/65/69/414776569.db2.gz OYWZFQNRADYZKG-ZDUSSCGKSA-N 0 3 262.397 2.463 20 30 CEEDHN C=C[C@H](CC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccccc1 ZINC000662945301 414807369 /nfs/dbraw/zinc/80/73/69/414807369.db2.gz MHAVZWBZLFZXBD-BPLDGKMQSA-N 0 3 276.355 2.244 20 30 CEEDHN Cc1cc(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c(C#N)cn1 ZINC000425270013 414814372 /nfs/dbraw/zinc/81/43/72/414814372.db2.gz RZWASAFUTWOQET-HEHGZKQESA-N 0 3 284.407 2.428 20 30 CEEDHN C=CCCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000660633382 414909652 /nfs/dbraw/zinc/90/96/52/414909652.db2.gz AOVPXEVLGUYBJD-AWEZNQCLSA-N 0 3 275.396 2.382 20 30 CEEDHN C=CCCn1cc(CNCCC[C@H]2CCCC[C@H]2O)nn1 ZINC000657402711 414914613 /nfs/dbraw/zinc/91/46/13/414914613.db2.gz JGVSLYXEPGTPGB-GDBMZVCRSA-N 0 3 292.427 2.275 20 30 CEEDHN C=CC[C@@H](C)NC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000660681959 414934788 /nfs/dbraw/zinc/93/47/88/414934788.db2.gz YXISRNAEVMFKDG-ZIAGYGMSSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC2=CCCC2)CC1 ZINC000660704787 414940647 /nfs/dbraw/zinc/94/06/47/414940647.db2.gz PVCVDYDKCWMLJK-UHFFFAOYSA-N 0 3 263.385 2.046 20 30 CEEDHN C=CCCn1cc(CNCCN2[C@H](C)CCC[C@H]2C)nn1 ZINC000657353857 414878831 /nfs/dbraw/zinc/87/88/31/414878831.db2.gz ODTSDHOUVALWFE-HUUCEWRRSA-N 0 3 291.443 2.207 20 30 CEEDHN C=CCCn1cc(CNCCN2[C@@H](C)CCC[C@@H]2C)nn1 ZINC000657353856 414881183 /nfs/dbraw/zinc/88/11/83/414881183.db2.gz ODTSDHOUVALWFE-GJZGRUSLSA-N 0 3 291.443 2.207 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccoc2)CC1 ZINC000660597941 414891079 /nfs/dbraw/zinc/89/10/79/414891079.db2.gz TZKSJQZXXZTUJQ-UHFFFAOYSA-N 0 3 291.395 2.162 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000660847241 415003837 /nfs/dbraw/zinc/00/38/37/415003837.db2.gz OHMLXAWEKVWWHT-GJZGRUSLSA-N 0 3 279.428 2.326 20 30 CEEDHN C=CCCn1cc(CNC[C@H]2N(C)CCCC2(C)C)nn1 ZINC000657454962 414947502 /nfs/dbraw/zinc/94/75/02/414947502.db2.gz OMVRZYMVJUEIIA-OAHLLOKOSA-N 0 3 291.443 2.064 20 30 CEEDHN C=CCOCCCNCc1c(OC)cccc1OC ZINC000657658098 415038412 /nfs/dbraw/zinc/03/84/12/415038412.db2.gz MHFZDPNDLQZQHG-UHFFFAOYSA-N 0 3 265.353 2.386 20 30 CEEDHN C=CCN(C(=O)NC[C@H]1CCCCN1CC)[C@@H](C)COC ZINC000664073086 415152548 /nfs/dbraw/zinc/15/25/48/415152548.db2.gz AUNLLFPCJDCCSZ-LSDHHAIUSA-N 0 3 297.443 2.093 20 30 CEEDHN N#Cc1ccc(N[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000044411766 175171820 /nfs/dbraw/zinc/17/18/20/175171820.db2.gz VOHSBGMCDGIAQN-NSHDSACASA-N 0 3 272.308 2.115 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(Br)cc1 ZINC000044812222 175257964 /nfs/dbraw/zinc/25/79/64/175257964.db2.gz PQPWVGYNBSQRHO-QMMMGPOBSA-N 0 3 267.126 2.225 20 30 CEEDHN C=CC[C@H]1CCCN(CC(=O)N[C@H](C)C(C)C)C1 ZINC000661377268 415232189 /nfs/dbraw/zinc/23/21/89/415232189.db2.gz MHPKDGAVTZQYET-KGLIPLIRSA-N 0 3 252.402 2.435 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc(C(N)=O)cs1 ZINC000658235648 415267445 /nfs/dbraw/zinc/26/74/45/415267445.db2.gz QDMCMOPVOIMFRT-GHMZBOCLSA-N 0 3 279.409 2.467 20 30 CEEDHN C=CCN1CC[C@@H](N[C@@H]2Cc3ccccc3[C@@H]2C)C1=O ZINC000661517972 415312105 /nfs/dbraw/zinc/31/21/05/415312105.db2.gz ZPRKNYZQBNLKBH-APHBMKBZSA-N 0 3 270.376 2.091 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](CN)C(F)(F)F ZINC000659025249 415392987 /nfs/dbraw/zinc/39/29/87/415392987.db2.gz PHSSOBKKUCKRRY-MXWKQRLJSA-N 0 3 293.333 2.310 20 30 CEEDHN C=CCn1c(C)nnc1N1CCN(C(C)(C)CC)CC1 ZINC000655618225 415364921 /nfs/dbraw/zinc/36/49/21/415364921.db2.gz LKAWUIZPHHNLNS-UHFFFAOYSA-N 0 3 277.416 2.083 20 30 CEEDHN C=CCOc1ccc(CNC[C@@](C)(CO)OC)cc1Cl ZINC000655809125 415486609 /nfs/dbraw/zinc/48/66/09/415486609.db2.gz RADBBRPRBXRFJC-HNNXBMFYSA-N 0 3 299.798 2.392 20 30 CEEDHN C=CCC1(NCC(=O)Nc2c(C)n[nH]c2C)CCCC1 ZINC000661851299 415498873 /nfs/dbraw/zinc/49/88/73/415498873.db2.gz PPZWRDIAKKXSDB-UHFFFAOYSA-N 0 3 276.384 2.444 20 30 CEEDHN C=CCCN(C)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000661896266 415522301 /nfs/dbraw/zinc/52/23/01/415522301.db2.gz FXPQHLBTBHUUNN-AWEZNQCLSA-N 0 3 267.417 2.324 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(-n2nc(C)cc2C)cc1 ZINC000662167719 415666816 /nfs/dbraw/zinc/66/68/16/415666816.db2.gz GVGSMSLBHZJZLY-OAHLLOKOSA-N 0 3 271.364 2.126 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(C)C[C@@H]1CC1(C)C ZINC000662348189 415793383 /nfs/dbraw/zinc/79/33/83/415793383.db2.gz OVTFRGPVDHRGEP-ZDUSSCGKSA-N 0 3 252.402 2.389 20 30 CEEDHN C=CCCC1(CNC(=O)C[C@@H]2CNCCO2)CCCC1 ZINC000662621017 415907171 /nfs/dbraw/zinc/90/71/71/415907171.db2.gz SYDDOSPIQCMGHY-CQSZACIVSA-N 0 3 280.412 2.008 20 30 CEEDHN C=CC[C@@H](C)NC(=O)c1cc2c(s1)CCNC2 ZINC000662465766 415854796 /nfs/dbraw/zinc/85/47/96/415854796.db2.gz SAGDRYFOQRFVAR-SECBINFHSA-N 0 3 250.367 2.088 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccccc2F)CC1 ZINC000076966731 177136372 /nfs/dbraw/zinc/13/63/72/177136372.db2.gz CJEKXKHOVZETSU-UHFFFAOYSA-N 0 3 262.328 2.206 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000077553742 177280734 /nfs/dbraw/zinc/28/07/34/177280734.db2.gz DBXGLNVKYQPBHO-AWEZNQCLSA-N 0 3 267.417 2.468 20 30 CEEDHN CC(C#N)C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345655541 225575501 /nfs/dbraw/zinc/57/55/01/225575501.db2.gz JQTXULBJPXIGLF-NOZJJQNGSA-N 0 3 291.332 2.328 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)C2CC2)CC1 ZINC000171737594 335076610 /nfs/dbraw/zinc/07/66/10/335076610.db2.gz VYFJQGCPHPICBG-GFCCVEGCSA-N 0 3 265.401 2.077 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)C[C@@H](C)CC)CC1 ZINC000171907848 335084219 /nfs/dbraw/zinc/08/42/19/335084219.db2.gz CKVOTSGLRIUYRL-ZDUSSCGKSA-N 0 3 267.417 2.324 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCC(CC#N)CC1 ZINC000336593459 227145366 /nfs/dbraw/zinc/14/53/66/227145366.db2.gz PNTKVOHVLGIPJL-STQMWFEESA-N 0 3 263.385 2.011 20 30 CEEDHN Cc1cnn(CC(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)c1 ZINC000329049656 227273962 /nfs/dbraw/zinc/27/39/62/227273962.db2.gz WBTAQOBMPLHZGJ-JKSUJKDBSA-N 0 3 298.390 2.246 20 30 CEEDHN N#C[C@H]1CCC[C@@H]1NC1CCN(c2nccs2)CC1 ZINC000331918504 228139040 /nfs/dbraw/zinc/13/90/40/228139040.db2.gz LNHPDIPGEYHQNY-YPMHNXCESA-N 0 3 276.409 2.394 20 30 CEEDHN CC(C#N)C(=O)N1CCc2cccc(Br)c2C1 ZINC000336000666 228177143 /nfs/dbraw/zinc/17/71/43/228177143.db2.gz IHGPQESGQWSHQA-VIFPVBQESA-N 0 3 293.164 2.493 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000075676210 419416807 /nfs/dbraw/zinc/41/68/07/419416807.db2.gz WWVUWOTUQKLLAY-UHFFFAOYSA-N 0 3 262.328 2.206 20 30 CEEDHN C=CCN(C(=O)N[C@H](C)CN1CCC(C)CC1)C1CC1 ZINC000666757416 419418896 /nfs/dbraw/zinc/41/88/96/419418896.db2.gz UJDLKKAFXLKSPT-CQSZACIVSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCOc1ccccc1CNC[C@@H]1C[C@H](F)CN1 ZINC000666943543 419484650 /nfs/dbraw/zinc/48/46/50/419484650.db2.gz XLRRYGKXOONYBE-KBPBESRZSA-N 0 3 264.344 2.041 20 30 CEEDHN C=CCCNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000665942549 419486334 /nfs/dbraw/zinc/48/63/34/419486334.db2.gz GVRIYRYEPJUMOB-HNNXBMFYSA-N 0 3 291.395 2.173 20 30 CEEDHN C=C[C@](C)(O)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000666347125 419634918 /nfs/dbraw/zinc/63/49/18/419634918.db2.gz NQBCUIAUJHOADM-HIFRSBDPSA-N 0 3 296.436 2.184 20 30 CEEDHN C=CCCN(C)C(=O)Nc1cccc2c1CCNC2 ZINC000667746332 419790669 /nfs/dbraw/zinc/79/06/69/419790669.db2.gz IIIIIUTUXALNHO-UHFFFAOYSA-N 0 3 259.353 2.372 20 30 CEEDHN C#C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000187731544 260053633 /nfs/dbraw/zinc/05/36/33/260053633.db2.gz GGFJZUMVJJWAKO-UXLLHSPISA-N 0 3 299.418 2.360 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1COc2cccc(Cl)c21 ZINC000356628838 260060264 /nfs/dbraw/zinc/06/02/64/260060264.db2.gz YSKSNOPUNAYTQX-IONNQARKSA-N 0 3 250.685 2.049 20 30 CEEDHN C#CCOc1ccccc1CN[C@H](C)Cn1cccn1 ZINC000037154605 260071569 /nfs/dbraw/zinc/07/15/69/260071569.db2.gz ROGGEZGXNGKBDK-CQSZACIVSA-N 0 3 269.348 2.073 20 30 CEEDHN CN1CCCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000297736664 260133356 /nfs/dbraw/zinc/13/33/56/260133356.db2.gz CURWVUSQJMIRNI-UHFFFAOYSA-N 0 3 262.784 2.329 20 30 CEEDHN C[C@H](C[S@@](C)=O)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000168549853 260895496 /nfs/dbraw/zinc/89/54/96/260895496.db2.gz AETVRRUYMTUVDO-UFYHVXEKSA-N 0 3 280.393 2.007 20 30 CEEDHN CCN(CCc1ccccc1)[C@H](C)C(=O)N(C)CCC#N ZINC000154066531 261087440 /nfs/dbraw/zinc/08/74/40/261087440.db2.gz ANKPYHROOTTXOY-OAHLLOKOSA-N 0 3 287.407 2.312 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000491048883 261311561 /nfs/dbraw/zinc/31/15/61/261311561.db2.gz ZZJZOUNPYOOFED-IUODEOHRSA-N 0 3 276.355 2.250 20 30 CEEDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1ccc(C#N)cn1 ZINC000515308265 269847764 /nfs/dbraw/zinc/84/77/64/269847764.db2.gz IGMYMCXEZKDZPL-CZUORRHYSA-N 0 3 273.380 2.469 20 30 CEEDHN Cc1ccc(NC(=O)[C@@H]2CCCN(CCCC#N)C2)nc1 ZINC000174604217 261577942 /nfs/dbraw/zinc/57/79/42/261577942.db2.gz WJFXHCRMQCOWFZ-CQSZACIVSA-N 0 3 286.379 2.344 20 30 CEEDHN N#C[C@H]1CCC[C@H](N[C@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000192746125 262210288 /nfs/dbraw/zinc/21/02/88/262210288.db2.gz GIDZEGVJNIRNPV-KKUMJFAQSA-N 0 3 283.375 2.464 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@](C)(c2ccccc2)C1 ZINC000364396704 262227408 /nfs/dbraw/zinc/22/74/08/262227408.db2.gz CVYPGCJIZRTLBJ-YOEHRIQHSA-N 0 3 272.392 2.341 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H](C)CC2)CC1 ZINC000188919052 262316790 /nfs/dbraw/zinc/31/67/90/262316790.db2.gz FCAQBQPGIJYHPA-GDBMZVCRSA-N 0 3 276.424 2.417 20 30 CEEDHN C(#Cc1ccccc1)CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000365252234 262355385 /nfs/dbraw/zinc/35/53/85/262355385.db2.gz APJUFPADAVIIGD-DLBZAZTESA-N 0 3 255.361 2.397 20 30 CEEDHN C=CCN1CC[C@@H](N[C@H](CC(F)(F)F)C(C)C)C1=O ZINC000337199932 262432453 /nfs/dbraw/zinc/43/24/53/262432453.db2.gz DXZOPHSQUCIFML-GHMZBOCLSA-N 0 3 278.318 2.340 20 30 CEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](C)N(C)C ZINC000413584703 262772322 /nfs/dbraw/zinc/77/23/22/262772322.db2.gz CESFEORAYPUSRA-GOEBONIOSA-N 0 3 289.423 2.423 20 30 CEEDHN CC(C)(C#N)CCN(CCC(N)=O)Cc1ccccc1 ZINC000272022053 263001344 /nfs/dbraw/zinc/00/13/44/263001344.db2.gz MZOVRMZEHVOKAU-UHFFFAOYSA-N 0 3 273.380 2.304 20 30 CEEDHN Cn1cc(CNCCCC#N)c(-c2ccccc2)n1 ZINC000273055417 263011780 /nfs/dbraw/zinc/01/17/80/263011780.db2.gz LIFNMZYUEFHYIX-UHFFFAOYSA-N 0 3 254.337 2.480 20 30 CEEDHN C[C@@H](C#N)CN(C)C(=O)Nc1ccccc1CCN(C)C ZINC000275567582 263033650 /nfs/dbraw/zinc/03/36/50/263033650.db2.gz CDBIEDOQDBGMTM-ZDUSSCGKSA-N 0 3 288.395 2.414 20 30 CEEDHN CC(C)(C#N)CC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000278480323 263048157 /nfs/dbraw/zinc/04/81/57/263048157.db2.gz JXHXBKBNBQXNQQ-HNNXBMFYSA-N 0 3 285.391 2.317 20 30 CEEDHN C[C@@H]1CCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280256218 263059914 /nfs/dbraw/zinc/05/99/14/263059914.db2.gz CDVQIXQBYISGTD-IUODEOHRSA-N 0 3 267.332 2.251 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000285094347 263089935 /nfs/dbraw/zinc/08/99/35/263089935.db2.gz SVUICFCJCGULKM-ZBFHGGJFSA-N 0 3 273.380 2.345 20 30 CEEDHN N#CCCCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000291782741 263125522 /nfs/dbraw/zinc/12/55/22/263125522.db2.gz WZVRKGBUSQYLDM-MRXNPFEDSA-N 0 3 285.391 2.461 20 30 CEEDHN CN1CC[C@H](NC(=O)CCCC#N)[C@@H]1c1ccccc1 ZINC000291922886 263126668 /nfs/dbraw/zinc/12/66/68/263126668.db2.gz NOUCAGHDRWBNEO-HOCLYGCPSA-N 0 3 271.364 2.242 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)CCCC#N)CCN1Cc1ccccc1 ZINC000292431628 263132232 /nfs/dbraw/zinc/13/22/32/263132232.db2.gz USEYVKDNMCSMNL-GDBMZVCRSA-N 0 3 285.391 2.459 20 30 CEEDHN CN(C)CCN(Cc1ccccc1)C(=O)CCCC#N ZINC000292702065 263134045 /nfs/dbraw/zinc/13/40/45/263134045.db2.gz SCTJGSNLSOXCGA-UHFFFAOYSA-N 0 3 273.380 2.271 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](CCCC)ON=C(C)C ZINC000294066433 263155380 /nfs/dbraw/zinc/15/53/80/263155380.db2.gz VMLVFYKHRWNNOU-HNNXBMFYSA-N 0 3 295.427 2.029 20 30 CEEDHN N#CC1CCC(CNCc2cn3cccnc3n2)CC1 ZINC000298138796 263215631 /nfs/dbraw/zinc/21/56/31/263215631.db2.gz QOIYPQFPWVNHNH-UHFFFAOYSA-N 0 3 269.352 2.149 20 30 CEEDHN C[NH+](C)C1(C/N=C/c2ccc(O)c([O-])c2O)CCCCC1 ZINC000299281900 263237525 /nfs/dbraw/zinc/23/75/25/263237525.db2.gz WNSSBNDOOYZYGW-LICLKQGHSA-N 0 3 292.379 2.487 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](c2ccccc2)C1 ZINC000120153229 263281078 /nfs/dbraw/zinc/28/10/78/263281078.db2.gz SEEDHGGUOMNVBA-ZFWWWQNUSA-N 0 3 258.365 2.167 20 30 CEEDHN CC#CCN(C)C[C@H]1C[C@H](F)CN1Cc1nccs1 ZINC000341011777 263316231 /nfs/dbraw/zinc/31/62/31/263316231.db2.gz GUZUJDYWWHLEQA-QWHCGFSZSA-N 0 3 281.400 2.011 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000340974458 263317024 /nfs/dbraw/zinc/31/70/24/263317024.db2.gz QVGUOYSEZRESGH-LERXQTSPSA-N 0 3 291.782 2.361 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000341166177 263324849 /nfs/dbraw/zinc/32/48/49/263324849.db2.gz KBFVEXCKYLRXBU-LSDHHAIUSA-N 0 3 280.412 2.054 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000341488428 263339315 /nfs/dbraw/zinc/33/93/15/263339315.db2.gz IDUYFTVBCVATRZ-JSGCOSHPSA-N 0 3 265.401 2.219 20 30 CEEDHN COCC1(C#N)CCN(CCCO[C@@H]2CCCCO2)CC1 ZINC000341988204 263381135 /nfs/dbraw/zinc/38/11/35/263381135.db2.gz JPRBNEUYUDWAOH-OAHLLOKOSA-N 0 3 296.411 2.172 20 30 CEEDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCCCC#N ZINC000342099722 263386883 /nfs/dbraw/zinc/38/68/83/263386883.db2.gz KILKFNYEALVYIV-UKRRQHHQSA-N 0 3 274.364 2.300 20 30 CEEDHN C=CCCN(C)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000342432712 263433642 /nfs/dbraw/zinc/43/36/42/263433642.db2.gz DQDSYRILYYCYCA-KBPBESRZSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCC[C@H](CO)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416245607 263683668 /nfs/dbraw/zinc/68/36/68/263683668.db2.gz LAIOUQKXWPZCTK-CVEARBPZSA-N 0 3 290.407 2.123 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417322642 263800668 /nfs/dbraw/zinc/80/06/68/263800668.db2.gz WGKYYFGKCJTYCS-GRYCIOLGSA-N 0 3 264.394 2.132 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC000328780583 263870367 /nfs/dbraw/zinc/87/03/67/263870367.db2.gz GZVBXIXPLPQAEJ-VXGBXAGGSA-N 0 3 267.373 2.326 20 30 CEEDHN C[C@@H](O)C(C)(C)NC(=O)c1cccc(CN(C)C)c1 ZINC000330632772 264001200 /nfs/dbraw/zinc/00/12/00/264001200.db2.gz ISNDOBKDLHPFEA-LLVKDONJSA-N 0 3 264.369 2.212 20 30 CEEDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330944376 264084389 /nfs/dbraw/zinc/08/43/89/264084389.db2.gz IIYUCPUWQHSXDM-UMVBOHGHSA-N 0 3 265.401 2.161 20 30 CEEDHN COc1cccc(F)c1NC(=O)NCC1=CCN(C)CC1 ZINC000331123418 264131712 /nfs/dbraw/zinc/13/17/12/264131712.db2.gz NRXHBARDFJBOOO-UHFFFAOYSA-N 0 3 293.342 2.422 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)c1nc(C)oc1C ZINC000331155170 264141203 /nfs/dbraw/zinc/14/12/03/264141203.db2.gz DCJCAHHGIYWXPB-NSHDSACASA-N 0 3 251.330 2.080 20 30 CEEDHN C[C@@H]1COC[C@H](C)N1C(=O)C(C#N)CCc1ccccc1 ZINC000331212813 264163236 /nfs/dbraw/zinc/16/32/36/264163236.db2.gz KOOBGDMGTYAORV-LZWOXQAQSA-N 0 3 286.375 2.395 20 30 CEEDHN N#C[C@@H]1CCC[C@H]1NCCCO[C@H]1CCCCO1 ZINC000331340194 264194429 /nfs/dbraw/zinc/19/44/29/264194429.db2.gz JZSBCZFNIGOGER-MJBXVCDLSA-N 0 3 252.358 2.202 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)NCc1cccnc1 ZINC000331295806 264197675 /nfs/dbraw/zinc/19/76/75/264197675.db2.gz AALFMYLQQRMGEF-AWEZNQCLSA-N 0 3 290.411 2.206 20 30 CEEDHN CNC(=O)NC(=O)CNC1(c2ccccc2)CCCCC1 ZINC000331296442 264197786 /nfs/dbraw/zinc/19/77/86/264197786.db2.gz NDKLNNOVAPVYMS-UHFFFAOYSA-N 0 3 289.379 2.096 20 30 CEEDHN C=CCc1cc(CN2CC[C@@H](CO)[C@H]2C)cc(OC)c1O ZINC000425961101 264227556 /nfs/dbraw/zinc/22/75/56/264227556.db2.gz ROTOHJDJMNZZBQ-DOMZBBRYSA-N 0 3 291.391 2.332 20 30 CEEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(C(C)C)C2)CCOCC1 ZINC000424863213 264238500 /nfs/dbraw/zinc/23/85/00/264238500.db2.gz IHNQJBQUOUFOLQ-HNNXBMFYSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)C1 ZINC000250214898 264256137 /nfs/dbraw/zinc/25/61/37/264256137.db2.gz SEEDHGGUOMNVBA-DZGCQCFKSA-N 0 3 258.365 2.167 20 30 CEEDHN C=CCOc1ccc(C(=O)NC[C@H]2CCCN2CC)cc1 ZINC000074291167 264308754 /nfs/dbraw/zinc/30/87/54/264308754.db2.gz KIYHVVHCMBEVQT-OAHLLOKOSA-N 0 3 288.391 2.466 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCSCC1)N1CCCCCC1 ZINC000162407445 264321559 /nfs/dbraw/zinc/32/15/59/264321559.db2.gz CITVUFMMCQFVBZ-CYBMUJFWSA-N 0 3 295.452 2.156 20 30 CEEDHN C#CC[NH+]1CCC(C(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000129595780 264328037 /nfs/dbraw/zinc/32/80/37/264328037.db2.gz WXBFHFJNINQDBC-UHFFFAOYSA-N 0 3 292.766 2.329 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCC1(CC#N)CC1 ZINC000430688332 264358889 /nfs/dbraw/zinc/35/88/89/264358889.db2.gz WRUNPRYODWHFMG-ZIAGYGMSSA-N 0 3 292.427 2.242 20 30 CEEDHN CC(C#N)C(=O)NCCC(C)(C)C(=O)OC(C)(C)C ZINC000424941757 264385771 /nfs/dbraw/zinc/38/57/71/264385771.db2.gz JPNGCCCZKKRIJE-JTQLQIEISA-N 0 3 268.357 2.020 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](OC)C1CC1)C(C)C ZINC000280806162 264462438 /nfs/dbraw/zinc/46/24/38/264462438.db2.gz GQAVNOCRMWPIJI-HZPDHXFCSA-N 0 3 294.439 2.226 20 30 CEEDHN C=CCc1cc(CN2CCC[C@@H](O)CC2)cc(OC)c1O ZINC000294113941 265007624 /nfs/dbraw/zinc/00/76/24/265007624.db2.gz STUYCROTVIFTEN-OAHLLOKOSA-N 0 3 291.391 2.476 20 30 CEEDHN N#CC1(NC(=O)CN2CCC[C@@H]2C2CCCC2)CCC1 ZINC000525885729 265032092 /nfs/dbraw/zinc/03/20/92/265032092.db2.gz LLOPPHYVAIOBAK-CQSZACIVSA-N 0 3 275.396 2.203 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc(C#N)cs1 ZINC000352888445 265986158 /nfs/dbraw/zinc/98/61/58/265986158.db2.gz GZHBBZCTJMZTJX-MFKMUULPSA-N 0 3 263.366 2.086 20 30 CEEDHN CC#CCNC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000367169579 266044036 /nfs/dbraw/zinc/04/40/36/266044036.db2.gz AWTDHAMKGOHKEM-OCCSQVGLSA-N 0 3 291.420 2.063 20 30 CEEDHN C[C@@H]1c2ccccc2CN1CCC(=O)N(C)CCC#N ZINC000357010301 266231619 /nfs/dbraw/zinc/23/16/19/266231619.db2.gz WZNLLKPTDOLCKU-CYBMUJFWSA-N 0 3 271.364 2.325 20 30 CEEDHN C=C(C)CS(=O)(=O)NC[C@@H](CC(C)C)N(CC)CC ZINC000357432283 266294321 /nfs/dbraw/zinc/29/43/21/266294321.db2.gz DQKXBCRVQDBHPC-CQSZACIVSA-N 0 3 290.473 2.238 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000357820710 266372997 /nfs/dbraw/zinc/37/29/97/266372997.db2.gz IBJFKAPLJLTRFE-STQMWFEESA-N 0 3 275.352 2.082 20 30 CEEDHN CC(C#N)C(=O)NCCSCc1ccccc1F ZINC000357841332 266375138 /nfs/dbraw/zinc/37/51/38/266375138.db2.gz VWAGNFQHFQLTJN-JTQLQIEISA-N 0 3 266.341 2.335 20 30 CEEDHN N#CCCCN1CCC(C(=O)Nc2cccnc2)CC1 ZINC000363156809 267077195 /nfs/dbraw/zinc/07/71/95/267077195.db2.gz TZJNTEHZTDHNBK-UHFFFAOYSA-N 0 3 272.352 2.036 20 30 CEEDHN CCOC(=O)CC1(NCc2cc(C#N)n(C)c2)CCCC1 ZINC000435287879 267114685 /nfs/dbraw/zinc/11/46/85/267114685.db2.gz ILEJQLIDVQWXJD-UHFFFAOYSA-N 0 3 289.379 2.252 20 30 CEEDHN C#Cc1ccc(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000367954466 267130774 /nfs/dbraw/zinc/13/07/74/267130774.db2.gz BTBMBOGYNMHIOU-MSOLQXFVSA-N 0 3 299.414 2.468 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368339814 267164401 /nfs/dbraw/zinc/16/44/01/267164401.db2.gz 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/nfs/dbraw/zinc/36/97/65/267369765.db2.gz GWYJMWNQUJUYKQ-UHFFFAOYSA-N 0 3 257.381 2.001 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](OC)CC1 ZINC000374645119 267806143 /nfs/dbraw/zinc/80/61/43/267806143.db2.gz IHIKDNZLDYCZEN-GJZGRUSLSA-N 0 3 282.428 2.300 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)NCC(C)(C)CCC#N)[C@H]2C1 ZINC000377029776 268042340 /nfs/dbraw/zinc/04/23/40/268042340.db2.gz KABBMZNWZVNJEK-KBPBESRZSA-N 0 3 292.427 2.052 20 30 CEEDHN N#Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCCCC2)nc1 ZINC000529715852 268199910 /nfs/dbraw/zinc/19/99/10/268199910.db2.gz AGWVAHDVKJKRDH-HNNXBMFYSA-N 0 3 298.390 2.090 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)o1 ZINC000449471160 268219217 /nfs/dbraw/zinc/21/92/17/268219217.db2.gz OKZQPNQYDMQEAL-KFWWJZLASA-N 0 3 260.337 2.277 20 30 CEEDHN N#Cc1ccc(CNC2(CO)CCSCC2)c(F)c1 ZINC000459732847 268232372 /nfs/dbraw/zinc/23/23/72/268232372.db2.gz RVNNIMFOEIXBKO-UHFFFAOYSA-N 0 3 280.368 2.045 20 30 CEEDHN N#Cc1cccc(CC(=O)NC[C@H]2CCN2C2CCCC2)c1 ZINC000530027831 268276043 /nfs/dbraw/zinc/27/60/43/268276043.db2.gz ISGFOPQLPBVOSC-QGZVFWFLSA-N 0 3 297.402 2.234 20 30 CEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCCC2(CC2)C1 ZINC000528456708 268300689 /nfs/dbraw/zinc/30/06/89/268300689.db2.gz OFLFBNCBJYGDLG-OAHLLOKOSA-N 0 3 286.375 2.174 20 30 CEEDHN CCCN(CC)CC(=O)NC1(C#N)CCCCC1 ZINC000349026723 276250585 /nfs/dbraw/zinc/25/05/85/276250585.db2.gz KRTFWKQROFPWIL-UHFFFAOYSA-N 0 3 251.374 2.061 20 30 CEEDHN C[C@@H]1[C@H](Nc2ncc3c(c2C#N)CCC3)CCCN1C ZINC000425245031 271145599 /nfs/dbraw/zinc/14/55/99/271145599.db2.gz IIJXCGKKWNXLCU-IAQYHMDHSA-N 0 3 270.380 2.337 20 30 CEEDHN Cc1c2cc(C#N)ccc2sc1C(=O)NCCN(C)C ZINC000429921835 271348988 /nfs/dbraw/zinc/34/89/88/271348988.db2.gz IAGJNDTXCPFXAU-UHFFFAOYSA-N 0 3 287.388 2.373 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H]1c1ccccc1 ZINC000296933766 275380325 /nfs/dbraw/zinc/38/03/25/275380325.db2.gz PCYIWEZVELIXNQ-KRWDZBQOSA-N 0 3 299.418 2.488 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)C2(C#N)CCCCC2)CCCN1C ZINC000343447947 278083604 /nfs/dbraw/zinc/08/36/04/278083604.db2.gz PMCCDQFFSWVYIT-OLZOCXBDSA-N 0 3 263.385 2.059 20 30 CEEDHN CS[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1N(C)C ZINC000277090334 278153785 /nfs/dbraw/zinc/15/37/85/278153785.db2.gz YVMDEYJXYQOQPV-JKSUJKDBSA-N 0 3 274.433 2.016 20 30 CEEDHN C[C@@H](NCC(=O)Nc1nc2c(s1)CCC2)[C@H]1CCCO1 ZINC000329680043 278339774 /nfs/dbraw/zinc/33/97/74/278339774.db2.gz REIIIIPXVCIYDH-MWLCHTKSSA-N 0 3 295.408 2.377 20 30 CEEDHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)CC(C)(C)C#N ZINC000457806212 279122140 /nfs/dbraw/zinc/12/21/40/279122140.db2.gz LATNHMYCKWFNOR-CYBMUJFWSA-N 0 3 282.432 2.154 20 30 CEEDHN C[C@H](CCN[C@@H]1CCc2ccc(C#N)cc21)[S@](C)=O ZINC000353260714 279267856 /nfs/dbraw/zinc/26/78/56/279267856.db2.gz GACVPRZFUOHFPD-VWCVUJCZSA-N 0 3 276.405 2.292 20 30 CEEDHN CC(C)[C@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000117347268 280367090 /nfs/dbraw/zinc/36/70/90/280367090.db2.gz VEIINSGTNURCEV-ZBFHGGJFSA-N 0 3 277.412 2.305 20 30 CEEDHN CCc1ccc(C#CC(=O)N(C)C[C@@H]2CCCN(C)C2)cc1 ZINC000294529463 281390748 /nfs/dbraw/zinc/39/07/48/281390748.db2.gz ZTFRHRNCMVAXBF-GOSISDBHSA-N 0 3 298.430 2.401 20 30 CEEDHN COc1ccc(C#N)cc1CN(CCCCO)C1CC1 ZINC000152319930 289085564 /nfs/dbraw/zinc/08/55/64/289085564.db2.gz GDGSMBCZMWLLNY-UHFFFAOYSA-N 0 3 274.364 2.304 20 30 CEEDHN N#Cc1cccnc1N1CCC[C@H]1CN1CCCC1 ZINC000189081745 294973389 /nfs/dbraw/zinc/97/33/89/294973389.db2.gz BQHVZNAOSPQISA-AWEZNQCLSA-N 0 3 256.353 2.018 20 30 CEEDHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(C3CCCC3)C2)O1 ZINC000329292344 295014801 /nfs/dbraw/zinc/01/48/01/295014801.db2.gz REELXFKLGZVJJD-WCFLWFBJSA-N 0 3 295.383 2.043 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)CCN1C ZINC000542719121 298299123 /nfs/dbraw/zinc/29/91/23/298299123.db2.gz OXQZWXBZYBUZHN-MFKMUULPSA-N 0 3 291.782 2.424 20 30 CEEDHN C[C@@H](CNC(=O)c1ccc(Cl)c(C#N)c1)N(C)C1CC1 ZINC000544639022 298325862 /nfs/dbraw/zinc/32/58/62/298325862.db2.gz YTAQXECQROUXJC-JTQLQIEISA-N 0 3 291.782 2.424 20 30 CEEDHN CC(C)COC[C@H](O)CN[C@H](C)c1cccc(C#N)c1 ZINC000181976581 312802790 /nfs/dbraw/zinc/80/27/90/312802790.db2.gz WPBWZDQAHROJTD-CZUORRHYSA-N 0 3 276.380 2.242 20 30 CEEDHN N#CCCCNC[C@H](O)COc1ccc2ccccc2c1 ZINC000563013994 327757398 /nfs/dbraw/zinc/75/73/98/327757398.db2.gz OGWOLXVNLUQOJS-INIZCTEOSA-N 0 3 284.359 2.473 20 30 CEEDHN N#Cc1ccc2ncc(CNC3(C4CC4)CC3)n2c1 ZINC000551802508 313598478 /nfs/dbraw/zinc/59/84/78/313598478.db2.gz HLZWCOVCHQPZKM-UHFFFAOYSA-N 0 3 252.321 2.238 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CC(=O)N3CCCC[C@@H]13)CC2 ZINC000566885570 313873885 /nfs/dbraw/zinc/87/38/85/313873885.db2.gz XJHWHWKLHSXDOW-IKGGRYGDSA-N 0 3 295.386 2.289 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)Cc2cccc(C#N)c2)C1 ZINC000573922365 314183464 /nfs/dbraw/zinc/18/34/64/314183464.db2.gz BXKQIEMDECZPCJ-MRXNPFEDSA-N 0 3 285.391 2.042 20 30 CEEDHN COC(=O)CCC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000575968856 314227467 /nfs/dbraw/zinc/22/74/67/314227467.db2.gz AETDCMNZIXPFSN-UHFFFAOYSA-N 0 3 289.379 2.062 20 30 CEEDHN CC(=O)N1CC(N[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000577296115 314362164 /nfs/dbraw/zinc/36/21/64/314362164.db2.gz WYQOMBNAVBJEFZ-QGZVFWFLSA-N 0 3 283.375 2.146 20 30 CEEDHN N#Cc1cncc(NCC2CCN(c3ccncc3)CC2)n1 ZINC000577480827 314381048 /nfs/dbraw/zinc/38/10/48/314381048.db2.gz YDYVZUOQFFYEDK-UHFFFAOYSA-N 0 3 294.362 2.072 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cc(F)cc(OC)c1 ZINC000320273547 327982032 /nfs/dbraw/zinc/98/20/32/327982032.db2.gz MIFYADDGNLRAJX-ZDUSSCGKSA-N 0 3 253.317 2.251 20 30 CEEDHN C=CCOCCN1CCC(c2nnc3ccccn32)CC1 ZINC000338991860 327993952 /nfs/dbraw/zinc/99/39/52/327993952.db2.gz CQJKHZRYRYDRPR-UHFFFAOYSA-N 0 3 286.379 2.111 20 30 CEEDHN C=C(C)CCNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000458992224 329065027 /nfs/dbraw/zinc/06/50/27/329065027.db2.gz DHTFDBLPPVBPBB-OLZOCXBDSA-N 0 3 253.390 2.077 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@H](O)C1 ZINC000268971137 328187947 /nfs/dbraw/zinc/18/79/47/328187947.db2.gz LZQDJNJXKXSICJ-AWEZNQCLSA-N 0 3 258.365 2.444 20 30 CEEDHN CC[C@H](N[C@@H](C)CCC#N)c1cccc(S(N)(=O)=O)c1 ZINC000278632324 328228946 /nfs/dbraw/zinc/22/89/46/328228946.db2.gz OJLXFARMLUXLGG-FZMZJTMJSA-N 0 3 295.408 2.067 20 30 CEEDHN Cc1nnc(CCN[C@H]2CCC[C@H](C#N)C2)s1 ZINC000289861842 328256557 /nfs/dbraw/zinc/25/65/57/328256557.db2.gz QYSCALNUPSRYQX-QWRGUYRKSA-N 0 3 250.371 2.061 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC000185330910 329270539 /nfs/dbraw/zinc/27/05/39/329270539.db2.gz QOQWCWFULFETBJ-ZIAGYGMSSA-N 0 3 250.386 2.045 20 30 CEEDHN COC(=O)COC[C@@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000295895024 328287801 /nfs/dbraw/zinc/28/78/01/328287801.db2.gz YULROXRDVBJJJB-HIFRSBDPSA-N 0 3 290.363 2.199 20 30 CEEDHN CS[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1N(C)C ZINC000581258643 322382318 /nfs/dbraw/zinc/38/23/18/322382318.db2.gz GLUPDXVXAVPMIY-QWHCGFSZSA-N 0 3 281.450 2.097 20 30 CEEDHN C=CCC[C@@H](NC[C@@](C)(O)COC)c1ccco1 ZINC000556881199 326977600 /nfs/dbraw/zinc/97/76/00/326977600.db2.gz HRLLYBRHAUXMDB-TZMCWYRMSA-N 0 3 253.342 2.274 20 30 CEEDHN CC[C@@H]1CN(C)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000557919395 327035122 /nfs/dbraw/zinc/03/51/22/327035122.db2.gz FENJEMJJKYNCPG-DLBZAZTESA-N 0 3 299.418 2.312 20 30 CEEDHN C[C@H]1C[C@@H](O)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000558068453 327054646 /nfs/dbraw/zinc/05/46/46/327054646.db2.gz RWMBCUDCXNUWMV-IMJJTQAJSA-N 0 3 286.375 2.131 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](C)COCc1ccccc1 ZINC000347044400 327274489 /nfs/dbraw/zinc/27/44/89/327274489.db2.gz XUYOMBCYDPYKNX-STQMWFEESA-N 0 3 260.337 2.115 20 30 CEEDHN C=CCCCCN1CCC[C@H](NC(=O)N(C)C)C1 ZINC000560314875 327298082 /nfs/dbraw/zinc/29/80/82/327298082.db2.gz QLGIGVNJIXZJIQ-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN N#CCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000330854678 327369546 /nfs/dbraw/zinc/36/95/46/327369546.db2.gz SDXIWCFVNCUKEE-UHFFFAOYSA-N 0 3 257.337 2.500 20 30 CEEDHN C[C@]1(CNCc2nc(C#N)cs2)CCO[C@H]1C1CC1 ZINC000562078628 327447409 /nfs/dbraw/zinc/44/74/09/327447409.db2.gz QCVATSONQIZZNU-UONOGXRCSA-N 0 3 277.393 2.310 20 30 CEEDHN C#C[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000289537531 327530106 /nfs/dbraw/zinc/53/01/06/327530106.db2.gz QGZWZKPIHBFLRE-LBPRGKRZSA-N 0 3 262.309 2.351 20 30 CEEDHN CN(C(=O)CN[C@H]1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000361432319 328925820 /nfs/dbraw/zinc/92/58/20/328925820.db2.gz LZXBKGKWLYFFQJ-KBPBESRZSA-N 0 3 277.412 2.449 20 30 CEEDHN CC#CCCN1CCC(C(=O)Nc2cccc(C)n2)CC1 ZINC000375175008 329001326 /nfs/dbraw/zinc/00/13/26/329001326.db2.gz IVXNAZQDDPGAAY-UHFFFAOYSA-N 0 3 285.391 2.454 20 30 CEEDHN C=CCN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000377759122 329028339 /nfs/dbraw/zinc/02/83/39/329028339.db2.gz GTMCCVAHBJFMQT-OLZOCXBDSA-N 0 3 266.385 2.361 20 30 CEEDHN C#Cc1ccccc1CC(=O)N1CCCN(CCC)CC1 ZINC000377939804 329035337 /nfs/dbraw/zinc/03/53/37/329035337.db2.gz JVAQYTVOTZHGPK-UHFFFAOYSA-N 0 3 284.403 2.155 20 30 CEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)N(CCC#N)CC2CC2)C1 ZINC000378023421 329037319 /nfs/dbraw/zinc/03/73/19/329037319.db2.gz FMOFOMBQSDDQIR-INIZCTEOSA-N 0 3 295.402 2.351 20 30 CEEDHN C#CCOc1ccc(CN2CCC3(CCOC3=O)CC2)cc1 ZINC000378340643 329046667 /nfs/dbraw/zinc/04/66/67/329046667.db2.gz HYXAKHCHUAWJRZ-UHFFFAOYSA-N 0 3 299.370 2.228 20 30 CEEDHN CC[C@@H](CC#N)NC1CCN(C(=O)C(C)(C)C)CC1 ZINC000184084150 329255841 /nfs/dbraw/zinc/25/58/41/329255841.db2.gz DGYSUEBTLIPRSV-LBPRGKRZSA-N 0 3 265.401 2.305 20 30 CEEDHN CC(C)(C)N1CC[C@@H](N2CCC(CCC#N)CC2)C1=O ZINC000583142170 329321365 /nfs/dbraw/zinc/32/13/65/329321365.db2.gz FHYIKZOJFIYTTE-CQSZACIVSA-N 0 3 277.412 2.402 20 30 CEEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)C(=O)N1CCCCC1 ZINC000185815799 329329707 /nfs/dbraw/zinc/32/97/07/329329707.db2.gz ZFXAXOLPDSOBGE-MJBXVCDLSA-N 0 3 263.385 2.059 20 30 CEEDHN COC(=O)c1cc(CNCC(C)(C)CC#N)n(C)c1C ZINC000459731403 329374390 /nfs/dbraw/zinc/37/43/90/329374390.db2.gz NOSYAMMMPCALGJ-UHFFFAOYSA-N 0 3 277.368 2.150 20 30 CEEDHN C[C@H]1CN(CC(C)(C)CCC#N)CCN1CC(C)(C)O ZINC000188895084 329374410 /nfs/dbraw/zinc/37/44/10/329374410.db2.gz GXEOUBXXHXWBOV-AWEZNQCLSA-N 0 3 281.444 2.093 20 30 CEEDHN C=CCC1(C(=O)N2CCC[C@@H](N(C)C)C2)CCC1 ZINC000191102422 329407958 /nfs/dbraw/zinc/40/79/58/329407958.db2.gz AOYGMUWTLLOJAP-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCCC1(C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000421712091 330069405 /nfs/dbraw/zinc/06/94/05/330069405.db2.gz PXBGZUGPSDMDQE-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C(C)CN1CCC(c2nnc3n2CCCC3)CC1 ZINC000274965942 330108498 /nfs/dbraw/zinc/10/84/98/330108498.db2.gz JSAQIGFSNCPVOV-UHFFFAOYSA-N 0 3 260.385 2.370 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCSc2ccccc21 ZINC000424077387 330221040 /nfs/dbraw/zinc/22/10/40/330221040.db2.gz NZSKQOOBUOKUAW-OLZOCXBDSA-N 0 3 289.404 2.361 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000424081264 330222143 /nfs/dbraw/zinc/22/21/43/330222143.db2.gz JNAFYAZVZREKDM-CYBMUJFWSA-N 0 3 283.335 2.036 20 30 CEEDHN CCN(CCc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000424095200 330226682 /nfs/dbraw/zinc/22/66/82/330226682.db2.gz WPVYUUWZPLWMRC-OAHLLOKOSA-N 0 3 273.380 2.099 20 30 CEEDHN CC[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccs1 ZINC000424101462 330233422 /nfs/dbraw/zinc/23/34/22/330233422.db2.gz MYPNPFRFBOBDED-GHMZBOCLSA-N 0 3 265.382 2.337 20 30 CEEDHN C[C@@H]1Cc2ccccc2N(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424111253 330239520 /nfs/dbraw/zinc/23/95/20/330239520.db2.gz ACBBJPLUDAUBSP-OCCSQVGLSA-N 0 3 271.364 2.233 20 30 CEEDHN Cc1ccccc1C1(CNC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424112422 330240693 /nfs/dbraw/zinc/24/06/93/330240693.db2.gz JQIPDXCUSGZQEC-HNNXBMFYSA-N 0 3 285.391 2.164 20 30 CEEDHN COc1ccccc1C(C)(C)NC(=O)[C@@H](N)CCCC#N ZINC000424113275 330241851 /nfs/dbraw/zinc/24/18/51/330241851.db2.gz MXICAIXCPPHRBJ-ZDUSSCGKSA-N 0 3 289.379 2.068 20 30 CEEDHN CO[C@@H](C)c1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424116659 330243783 /nfs/dbraw/zinc/24/37/83/330243783.db2.gz XSGFNTPTLNKDNE-FZMZJTMJSA-N 0 3 275.352 2.354 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000424119774 330246709 /nfs/dbraw/zinc/24/67/09/330246709.db2.gz DCWUUPLEKDQSDM-CQSZACIVSA-N 0 3 285.347 2.165 20 30 CEEDHN CC(C)c1cnc(NC(=O)[C@@H](N)CCCC#N)s1 ZINC000424135800 330270863 /nfs/dbraw/zinc/27/08/63/330270863.db2.gz ZVXHENJXJQBRLZ-VIFPVBQESA-N 0 3 266.370 2.226 20 30 CEEDHN C=CCN1CCC(NCc2ccncc2Cl)CC1 ZINC000527657175 330273463 /nfs/dbraw/zinc/27/34/63/330273463.db2.gz OEMFIIQFTFQFGD-UHFFFAOYSA-N 0 3 265.788 2.475 20 30 CEEDHN C[C@H]1CCN(C(=O)[C@@H](N)CCCC#N)c2c(O)cccc21 ZINC000424185094 330320323 /nfs/dbraw/zinc/32/03/23/330320323.db2.gz FHRHLJVRVTZUCQ-AAEUAGOBSA-N 0 3 287.363 2.254 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCCc2sccc21 ZINC000424196180 330325101 /nfs/dbraw/zinc/32/51/01/330325101.db2.gz VBWREQNTEOXQMX-NEPJUHHUSA-N 0 3 277.393 2.263 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2ccc(-c3cc[nH]n3)o2)C1 ZINC000424207175 330327818 /nfs/dbraw/zinc/32/78/18/330327818.db2.gz XKVHYBAIJQOYTD-MNOVXSKESA-N 0 3 256.309 2.452 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cnc(-c2ccccc2)nc1 ZINC000537025226 330386278 /nfs/dbraw/zinc/38/62/78/330386278.db2.gz NYICBXDOJNBATQ-CQSZACIVSA-N 0 3 283.375 2.418 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000424586875 330390750 /nfs/dbraw/zinc/39/07/50/330390750.db2.gz GAHDYSKKZJQJCJ-ZDUSSCGKSA-N 0 3 252.402 2.437 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2CC23CCSCC3)CC1 ZINC000448922093 330888450 /nfs/dbraw/zinc/88/84/50/330888450.db2.gz PQOOXDRULUOHQR-CQSZACIVSA-N 0 3 294.464 2.286 20 30 CEEDHN C=CCC[C@H](CO)NCc1cnc2ccc(C)cn12 ZINC000449700709 330944796 /nfs/dbraw/zinc/94/47/96/330944796.db2.gz URVXJDCMIYSOJT-CYBMUJFWSA-N 0 3 259.353 2.059 20 30 CEEDHN CCC(CC)(CC(=O)OC)NCC1(C#N)CCC1 ZINC000450580656 330987858 /nfs/dbraw/zinc/98/78/58/330987858.db2.gz OHLVNKNRZOOLRH-UHFFFAOYSA-N 0 3 252.358 2.392 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000451597469 331035542 /nfs/dbraw/zinc/03/55/42/331035542.db2.gz ILZWHNWSOXTABI-LNSITVRQSA-N 0 3 292.354 2.394 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccccc1CC ZINC000451599044 331035652 /nfs/dbraw/zinc/03/56/52/331035652.db2.gz MVVVPDGHBVNKFB-CABCVRRESA-N 0 3 274.364 2.121 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(CC)c1ccccc1 ZINC000451674916 331038445 /nfs/dbraw/zinc/03/84/45/331038445.db2.gz OIKYMKFQYRXSMQ-CVEARBPZSA-N 0 3 288.391 2.363 20 30 CEEDHN Cc1cccc([C@@H](C)NCC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000452067942 331052680 /nfs/dbraw/zinc/05/26/80/331052680.db2.gz BBEZZIUNLYQRPC-DYVFJYSZSA-N 0 3 285.391 2.454 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452582698 331069653 /nfs/dbraw/zinc/06/96/53/331069653.db2.gz XPTJXITVLREYLV-RHSMWYFYSA-N 0 3 294.439 2.158 20 30 CEEDHN C[C@@H](CCO)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000452690856 331072399 /nfs/dbraw/zinc/07/23/99/331072399.db2.gz YVMCPYLDUQCJAW-ZBFHGGJFSA-N 0 3 288.391 2.284 20 30 CEEDHN C=CCC[C@@H](N[C@@H](C)CC(=O)NC)c1ccco1 ZINC000453354552 331121393 /nfs/dbraw/zinc/12/13/93/331121393.db2.gz HPWQQELIAZFCBS-NWDGAFQWSA-N 0 3 250.342 2.401 20 30 CEEDHN C=C(C)CNC(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000454843716 331154850 /nfs/dbraw/zinc/15/48/50/331154850.db2.gz VXYWRFIDYLITHW-AWEZNQCLSA-N 0 3 267.417 2.372 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000456042145 331183155 /nfs/dbraw/zinc/18/31/55/331183155.db2.gz CLNYYICZFXQKBS-MQYQWHSLSA-N 0 3 263.385 2.058 20 30 CEEDHN CC[C@@H](C(=O)N[C@H]1CC[C@@H](CC#N)C1)N(CC)CC ZINC000456053966 331183481 /nfs/dbraw/zinc/18/34/81/331183481.db2.gz UHKKGANGWBBWBK-IHRRRGAJSA-N 0 3 265.401 2.305 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000457618999 331229129 /nfs/dbraw/zinc/22/91/29/331229129.db2.gz AITYYSFOVKYMAY-WMHQRMGPSA-N 0 3 292.423 2.099 20 30 CEEDHN C[C@@H](C(=O)NCC(C)(C)CC#N)N1[C@H](C)CC[C@H]1C ZINC000457990474 331239299 /nfs/dbraw/zinc/23/92/99/331239299.db2.gz PKLQYAMKPZFPFG-UPJWGTAASA-N 0 3 265.401 2.304 20 30 CEEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ccn(C)n1 ZINC000458295970 331247577 /nfs/dbraw/zinc/24/75/77/331247577.db2.gz QOEFHLOJUXUPOV-ZFWWWQNUSA-N 0 3 296.374 2.370 20 30 CEEDHN CC#CCN(C)C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000458785083 331259804 /nfs/dbraw/zinc/25/98/04/331259804.db2.gz YPPMEKUBHNQHPG-ZIAGYGMSSA-N 0 3 291.395 2.374 20 30 CEEDHN CC(C)(CC#N)CNC(=O)NCCN1CCCC(C)(C)C1 ZINC000459241724 331272732 /nfs/dbraw/zinc/27/27/32/331272732.db2.gz RLQDORWYWDZQFB-UHFFFAOYSA-N 0 3 294.443 2.347 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)CC#N)CCN1C ZINC000459254899 331273352 /nfs/dbraw/zinc/27/33/52/331273352.db2.gz GLBZTDLPTTYZIC-OLZOCXBDSA-N 0 3 280.416 2.050 20 30 CEEDHN CON1CCC(N(C)CC#Cc2ccc(F)cc2)CC1 ZINC000459574310 331288624 /nfs/dbraw/zinc/28/86/24/331288624.db2.gz BGOLGLFPKWOPHL-UHFFFAOYSA-N 0 3 276.355 2.135 20 30 CEEDHN C=CCC[C@@H](CCC)N[C@@H](CO)c1ccnn1C ZINC000459701998 331295097 /nfs/dbraw/zinc/29/50/97/331295097.db2.gz FOLUPLFIQXFSCW-OLZOCXBDSA-N 0 3 251.374 2.178 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1C[C@@H](OC)C12CCC2 ZINC000459748058 331298035 /nfs/dbraw/zinc/29/80/35/331298035.db2.gz GGSGWIJQRIFTCR-SOUVJXGZSA-N 0 3 292.423 2.123 20 30 CEEDHN C=CCCCN1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488729127 332022136 /nfs/dbraw/zinc/02/21/36/332022136.db2.gz DIPTZGYMXQGVGK-AWEZNQCLSA-N 0 3 265.401 2.030 20 30 CEEDHN C=C[C@H]1CCCCN1C[C@@H](O)COCc1ccco1 ZINC000489444770 332053295 /nfs/dbraw/zinc/05/32/95/332053295.db2.gz DHVYUMVWYZWJCZ-UONOGXRCSA-N 0 3 265.353 2.198 20 30 CEEDHN C=CCCCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000490355981 332087250 /nfs/dbraw/zinc/08/72/50/332087250.db2.gz WSSZQTAGACBEJY-AWEZNQCLSA-N 0 3 279.428 2.468 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000490574271 332092714 /nfs/dbraw/zinc/09/27/14/332092714.db2.gz MVABBMADZLLNSB-DZGCQCFKSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN(CC#C)C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000490763766 332114153 /nfs/dbraw/zinc/11/41/53/332114153.db2.gz WBBYZMXCLWNMKA-UHFFFAOYSA-N 0 3 294.398 2.380 20 30 CEEDHN C#C[C@H](NCc1ccc2c(c1)nnn2C)C(C)(C)C ZINC000491277934 332179884 /nfs/dbraw/zinc/17/98/84/332179884.db2.gz QVKYYHBVQTYDKI-AWEZNQCLSA-N 0 3 256.353 2.106 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@H]2CCC[C@@H]2CC)CC1 ZINC000491296925 332184174 /nfs/dbraw/zinc/18/41/74/332184174.db2.gz NZYXSVPIXJCPPL-GOEBONIOSA-N 0 3 276.424 2.274 20 30 CEEDHN C#C[C@H](CC)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000491305303 332186198 /nfs/dbraw/zinc/18/61/98/332186198.db2.gz IELVMLBHMYJKTI-CQSZACIVSA-N 0 3 298.346 2.497 20 30 CEEDHN C#C[C@@H](NCc1ccc(S(C)(=O)=O)cc1)C(C)(C)C ZINC000491426817 332209433 /nfs/dbraw/zinc/20/94/33/332209433.db2.gz HTPCBFARRKNBFV-CQSZACIVSA-N 0 3 279.405 2.228 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1C[C@H]1c1ccc(C)cc1 ZINC000491453156 332214357 /nfs/dbraw/zinc/21/43/57/332214357.db2.gz PSCVVMVVELKHPT-DLBZAZTESA-N 0 3 299.418 2.105 20 30 CEEDHN C#C[C@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)C(C)(C)C ZINC000491473398 332217668 /nfs/dbraw/zinc/21/76/68/332217668.db2.gz CZILPIAIEIYHQA-AVGNSLFASA-N 0 3 250.386 2.023 20 30 CEEDHN C#CCN(C)CCCNC(=S)Nc1ccc(C)cc1 ZINC000491486757 332221228 /nfs/dbraw/zinc/22/12/28/332221228.db2.gz YASBPQNKCUNECY-UHFFFAOYSA-N 0 3 275.421 2.237 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cccc(F)c1SC ZINC000491506435 332225271 /nfs/dbraw/zinc/22/52/71/332225271.db2.gz PXLKSRCBLMFDQJ-UHFFFAOYSA-N 0 3 294.395 2.233 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000491514600 332226834 /nfs/dbraw/zinc/22/68/34/332226834.db2.gz JGBHJVQYFZVZED-HNNXBMFYSA-N 0 3 291.439 2.163 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)NC1CCN(CC(=C)C)CC1 ZINC000491525649 332230376 /nfs/dbraw/zinc/23/03/76/332230376.db2.gz UEIQSPQCDUBNLN-AWEZNQCLSA-N 0 3 277.412 2.128 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000491639370 332259595 /nfs/dbraw/zinc/25/95/95/332259595.db2.gz WTSKVLIDQKAADM-MELADBBJSA-N 0 3 291.395 2.372 20 30 CEEDHN C#CCNC(=O)CCN[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000491658590 332269498 /nfs/dbraw/zinc/26/94/98/332269498.db2.gz LZKOADAMTNLTOB-PXAZEXFGSA-N 0 3 288.366 2.178 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000491682880 332285684 /nfs/dbraw/zinc/28/56/84/332285684.db2.gz VJRSTLBEGGAXEG-WMLDXEAASA-N 0 3 299.418 2.174 20 30 CEEDHN C#C[C@@H](C)N(C)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000491694462 332290425 /nfs/dbraw/zinc/29/04/25/332290425.db2.gz LFSAVWUXTAAETG-GFCCVEGCSA-N 0 3 266.385 2.245 20 30 CEEDHN C#C[C@H](CC)NC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000491698160 332293120 /nfs/dbraw/zinc/29/31/20/332293120.db2.gz AWHQJBUSONMGTO-MJBXVCDLSA-N 0 3 291.395 2.420 20 30 CEEDHN C#CCN(C[C@H](O)c1ccc(F)cn1)C1CCCC1 ZINC000491715246 332305559 /nfs/dbraw/zinc/30/55/59/332305559.db2.gz IXXPOGKYVGQEQZ-HNNXBMFYSA-N 0 3 262.328 2.132 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc3c(cn2)CCCC3)CC1 ZINC000491734406 332315196 /nfs/dbraw/zinc/31/51/96/332315196.db2.gz BOHKQEFSBZAJCE-UHFFFAOYSA-N 0 3 297.402 2.244 20 30 CEEDHN C#C[C@H](CC)NCc1ccc(COCCOC)cc1 ZINC000491737343 332317271 /nfs/dbraw/zinc/31/72/71/332317271.db2.gz ODADGTIRSQOVEL-MRXNPFEDSA-N 0 3 261.365 2.351 20 30 CEEDHN C#CCN1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000491772305 332338579 /nfs/dbraw/zinc/33/85/79/332338579.db2.gz QIHXDPRQKSEJAA-CHWSQXEVSA-N 0 3 266.385 2.102 20 30 CEEDHN C#C[C@H](CC)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000491785843 332348586 /nfs/dbraw/zinc/34/85/86/332348586.db2.gz RXNZYIHHEPZXGM-HUUCEWRRSA-N 0 3 273.380 2.000 20 30 CEEDHN C#C[C@@H](CC)N[C@@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000491810073 332362805 /nfs/dbraw/zinc/36/28/05/332362805.db2.gz ZSVFVPBAIMYUFM-STQMWFEESA-N 0 3 274.364 2.414 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C\C(C)(C)C)CC1 ZINC000491896810 332374190 /nfs/dbraw/zinc/37/41/90/332374190.db2.gz WOVQJIUBIVFGHT-TWGQIWQCSA-N 0 3 250.386 2.355 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCSC[C@H](C)C2)CC1 ZINC000192331415 335104490 /nfs/dbraw/zinc/10/44/90/335104490.db2.gz FWPHHAIROYLVKL-CYBMUJFWSA-N 0 3 297.468 2.031 20 30 CEEDHN C#Cc1ccc(CN2CCC(OC(=O)N(C)C)CC2)cc1 ZINC000495751718 332529064 /nfs/dbraw/zinc/52/90/64/332529064.db2.gz BLQUHAGVLITRAD-UHFFFAOYSA-N 0 3 286.375 2.331 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]2SCC)CC1 ZINC000178103573 333067802 /nfs/dbraw/zinc/06/78/02/333067802.db2.gz KXTSYPACMKPGSW-HUUCEWRRSA-N 0 3 294.464 2.122 20 30 CEEDHN CC#CCCCC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000185498325 333142154 /nfs/dbraw/zinc/14/21/54/333142154.db2.gz GOSGJPWOTHOJIE-UHFFFAOYSA-N 0 3 287.407 2.165 20 30 CEEDHN C=CCCCCCNC(=O)NC1CCN(CCOC)CC1 ZINC000575878832 335127386 /nfs/dbraw/zinc/12/73/86/335127386.db2.gz ASQDQONOLTZWBM-UHFFFAOYSA-N 0 3 297.443 2.143 20 30 CEEDHN C=C[C@](C)(CC)C(=O)NCCN1CCC[C@H](C)C1 ZINC000190571561 333208529 /nfs/dbraw/zinc/20/85/29/333208529.db2.gz SDZSFHBBIKLTMP-DZGCQCFKSA-N 0 3 252.402 2.437 20 30 CEEDHN C[C@H](C#N)CNC[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195223223 333248232 /nfs/dbraw/zinc/24/82/32/333248232.db2.gz DFWRPRDBPPJOQA-IUODEOHRSA-N 0 3 281.400 2.383 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000546637434 334042812 /nfs/dbraw/zinc/04/28/12/334042812.db2.gz GKEWJCODZHXCDC-CHWSQXEVSA-N 0 3 295.345 2.339 20 30 CEEDHN C[C@H]1OCC[C@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000134238835 334085049 /nfs/dbraw/zinc/08/50/49/334085049.db2.gz QQLKHQGPSQVVEF-GOTCIRLWSA-N 0 3 256.349 2.377 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](CC2CC2)C1 ZINC000550422662 334222211 /nfs/dbraw/zinc/22/22/11/334222211.db2.gz OEIXVNKXEDLTPZ-OCCSQVGLSA-N 0 3 275.396 2.059 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@H](C)CCSC ZINC000247228716 334277776 /nfs/dbraw/zinc/27/77/76/334277776.db2.gz XLFPIKOSKSFYMT-QWHCGFSZSA-N 0 3 285.457 2.068 20 30 CEEDHN C=CCCCCCN1CCN(C[C@H](C)O)C[C@H]1C ZINC000249204365 334330001 /nfs/dbraw/zinc/33/00/01/334330001.db2.gz AVCNVEGGYWQJFI-CABCVRRESA-N 0 3 254.418 2.120 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@H]2CCC[C@@H]2C1 ZINC000153175315 334565719 /nfs/dbraw/zinc/56/57/19/334565719.db2.gz GNMHHHFPJMBLGB-RBSFLKMASA-N 0 3 289.423 2.449 20 30 CEEDHN Cc1cccc(OC[C@@H](O)CNCC(C)(C)CC#N)c1 ZINC000565475575 334566354 /nfs/dbraw/zinc/56/63/54/334566354.db2.gz AXJGITABFZTJLO-AWEZNQCLSA-N 0 3 276.380 2.264 20 30 CEEDHN C[C@@H]1CN(C[C@H]2CCCN2CCC(C)(C)C#N)C[C@H](C)O1 ZINC000342578571 335183322 /nfs/dbraw/zinc/18/33/22/335183322.db2.gz MXSGNKWXJXABFB-OWCLPIDISA-N 0 3 293.455 2.500 20 30 CEEDHN CCc1cccc(OC[C@@H](O)CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000577098958 335299726 /nfs/dbraw/zinc/29/97/26/335299726.db2.gz QAGGZROHXVYEOE-XHSDSOJGSA-N 0 3 288.391 2.271 20 30 CEEDHN N#CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CCCC1 ZINC000577228194 335326710 /nfs/dbraw/zinc/32/67/10/335326710.db2.gz FNWMYLYSSNFRRX-LSDHHAIUSA-N 0 3 283.375 2.024 20 30 CEEDHN C=CCNC(=O)CN[C@H](CCC)c1ccc(OC)cc1 ZINC000180032354 335542619 /nfs/dbraw/zinc/54/26/19/335542619.db2.gz PNUZIOSVAOURDJ-OAHLLOKOSA-N 0 3 276.380 2.428 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1cncc(Br)c1 ZINC000580962770 335990646 /nfs/dbraw/zinc/99/06/46/335990646.db2.gz IBLWNYJCQQUCMR-JOYOIKCWSA-N 0 3 285.185 2.432 20 30 CEEDHN C=C(C)CN(CCCC(=O)N(C)C)Cc1ccc(CO)o1 ZINC000581377891 336064485 /nfs/dbraw/zinc/06/44/85/336064485.db2.gz SDLQWEOPAHMRBS-UHFFFAOYSA-N 0 3 294.395 2.018 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](c1ccccc1Cl)N(C)C ZINC000347052623 534282358 /nfs/dbraw/zinc/28/23/58/534282358.db2.gz QNJDNPFTRLJRRB-MFKMUULPSA-N 0 3 279.771 2.219 20 30 CEEDHN C#CCC(C)(C)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000185488149 518240202 /nfs/dbraw/zinc/24/02/02/518240202.db2.gz VHFDPMGUMFAKEG-UHFFFAOYSA-N 0 3 262.397 2.193 20 30 CEEDHN C=CCCC[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000279841033 518702714 /nfs/dbraw/zinc/70/27/14/518702714.db2.gz OBNSQJBTWHHSSO-UHFFFAOYSA-N 0 3 251.326 2.465 20 30 CEEDHN C=CC[C@H](CO)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000184281135 519117971 /nfs/dbraw/zinc/11/79/71/519117971.db2.gz VTXJFYNVOGEFIF-LLVKDONJSA-N 0 3 283.755 2.138 20 30 CEEDHN CN(C)C[C@@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000061644163 521840309 /nfs/dbraw/zinc/84/03/09/521840309.db2.gz JLNNBWNWRVWLJO-AWEZNQCLSA-N 0 3 261.344 2.223 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)C[C@@H]2C)CC1 ZINC000336013503 526588852 /nfs/dbraw/zinc/58/88/52/526588852.db2.gz ITDZEEZIGIUQAJ-KBPBESRZSA-N 0 3 279.428 2.467 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccon2)CC1 ZINC000347799957 526592859 /nfs/dbraw/zinc/59/28/59/526592859.db2.gz BWSQPYWMFPCCPY-LBPRGKRZSA-N 0 3 292.383 2.075 20 30 CEEDHN C=CCOc1ccc(CNCCN2CCC2)cc1OC ZINC000344885918 526885574 /nfs/dbraw/zinc/88/55/74/526885574.db2.gz MNGAYWLZBONOKA-UHFFFAOYSA-N 0 3 276.380 2.055 20 30 CEEDHN C=CCSCCNC(=O)N(CCC)CCN1CCCC1 ZINC000352231738 526987389 /nfs/dbraw/zinc/98/73/89/526987389.db2.gz JOXKJOQDERXNMF-UHFFFAOYSA-N 0 3 299.484 2.423 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000344645130 527370442 /nfs/dbraw/zinc/37/04/42/527370442.db2.gz XFQWDRJEDRWJCK-KGLIPLIRSA-N 0 3 282.428 2.156 20 30 CEEDHN C=CCN(CC(F)(F)F)C(=O)c1ccc2c(c1)CNC2 ZINC000347664522 527588379 /nfs/dbraw/zinc/58/83/79/527588379.db2.gz HMJWPDPXCMYVEE-UHFFFAOYSA-N 0 3 284.281 2.480 20 30 CEEDHN C=C[C@H](CO)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000353574585 527594832 /nfs/dbraw/zinc/59/48/32/527594832.db2.gz XKDFTGNXOGQFDH-GDBMZVCRSA-N 0 3 256.349 2.462 20 30 CEEDHN C#Cc1ccc(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)nc1 ZINC000728861109 574472658 /nfs/dbraw/zinc/47/26/58/574472658.db2.gz KPWMZWBWJDFQLZ-CQSZACIVSA-N 0 3 299.418 2.303 20 30 CEEDHN C#Cc1ccc(C(=O)N2CCC[C@H]2CN2CCCCC2)nc1 ZINC000728865201 574472962 /nfs/dbraw/zinc/47/29/62/574472962.db2.gz ABVOEGJCYAHHAX-INIZCTEOSA-N 0 3 297.402 2.153 20 30 CEEDHN N#CCCNC(=O)CN[C@@H](c1ccccc1)C1CCC1 ZINC000729474909 574488632 /nfs/dbraw/zinc/48/86/32/574488632.db2.gz PVDXILHJEROKBN-INIZCTEOSA-N 0 3 271.364 2.147 20 30 CEEDHN CCN(CCN1CCOC1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000731103540 574589002 /nfs/dbraw/zinc/58/90/02/574589002.db2.gz AVPZBUVPSCBFKZ-CYBMUJFWSA-N 0 3 287.363 2.393 20 30 CEEDHN C=C(C)CNC(=S)N(C)[C@H]1CCN(CC)C[C@@H]1C ZINC000741488700 574600664 /nfs/dbraw/zinc/60/06/64/574600664.db2.gz MDLJCBWHWWZMHP-STQMWFEESA-N 0 3 269.458 2.099 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000732596062 574624304 /nfs/dbraw/zinc/62/43/04/574624304.db2.gz IWQCHMBXRICQRJ-BBRMVZONSA-N 0 3 296.370 2.193 20 30 CEEDHN CC(C)[C@H](c1ccccc1)N(C)CC(=O)NCCC#N ZINC000732984066 574638421 /nfs/dbraw/zinc/63/84/21/574638421.db2.gz QOKFUFLEJLXJJD-MRXNPFEDSA-N 0 3 273.380 2.345 20 30 CEEDHN C#CCCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000733341972 574665604 /nfs/dbraw/zinc/66/56/04/574665604.db2.gz ATEHQWLDEZFEEF-ZBFHGGJFSA-N 0 3 285.391 2.144 20 30 CEEDHN C=CCCC[N@@H+](C)CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000735412774 574755604 /nfs/dbraw/zinc/75/56/04/574755604.db2.gz KRLZFPMDYGQIDP-UHFFFAOYSA-N 0 3 287.367 2.144 20 30 CEEDHN C=CCCC[N@H+](C)CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000735412774 574755607 /nfs/dbraw/zinc/75/56/07/574755607.db2.gz KRLZFPMDYGQIDP-UHFFFAOYSA-N 0 3 287.367 2.144 20 30 CEEDHN C=CCCC[N@@H+](C)CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735412774 574755608 /nfs/dbraw/zinc/75/56/08/574755608.db2.gz KRLZFPMDYGQIDP-UHFFFAOYSA-N 0 3 287.367 2.144 20 30 CEEDHN C=CCCC[N@H+](C)CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735412774 574755612 /nfs/dbraw/zinc/75/56/12/574755612.db2.gz KRLZFPMDYGQIDP-UHFFFAOYSA-N 0 3 287.367 2.144 20 30 CEEDHN C=C(Cl)CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000736238414 574779545 /nfs/dbraw/zinc/77/95/45/574779545.db2.gz ICEUXPSHRAYQPK-CQSZACIVSA-N 0 3 293.798 2.162 20 30 CEEDHN CC(C#N)C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000740142412 574945116 /nfs/dbraw/zinc/94/51/16/574945116.db2.gz QRFHVQMVVGGSBB-VOMCLLRMSA-N 0 3 295.383 2.098 20 30 CEEDHN C#CCCN1CCC(NC(=O)Cc2ccc(CC)cc2)CC1 ZINC000743490915 575105178 /nfs/dbraw/zinc/10/51/78/575105178.db2.gz XDBCIAWCJGQGTD-UHFFFAOYSA-N 0 3 298.430 2.395 20 30 CEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C=CC1CC1 ZINC000744033748 575112420 /nfs/dbraw/zinc/11/24/20/575112420.db2.gz WRMNSNUERHLAQB-IDVQTMNDSA-N 0 3 284.315 2.309 20 30 CEEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)C(=O)Nc2ccccn2)o1 ZINC000744039018 575112857 /nfs/dbraw/zinc/11/28/57/575112857.db2.gz HABMIZATSNMACR-VXGBXAGGSA-N 0 3 297.314 2.434 20 30 CEEDHN CC(N=NC(=N)N)[C@@H](C)c1nc2ccccc2s1 ZINC000748777600 575195566 /nfs/dbraw/zinc/19/55/66/575195566.db2.gz CWXLQHAOYIDMJQ-SSDOTTSWSA-N 0 3 261.354 2.259 20 30 CEEDHN C#CCCN1CCC(NC(=O)Nc2nc(C)cs2)CC1 ZINC000751148593 575283421 /nfs/dbraw/zinc/28/34/21/575283421.db2.gz XWOCNLZXKBGDFT-UHFFFAOYSA-N 0 3 292.408 2.061 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C2\CC[C@H](C)C2)CC1 ZINC000753627731 575333025 /nfs/dbraw/zinc/33/30/25/575333025.db2.gz VWZHKWQPLCDCCR-MRPLLJTBSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccoc2Cl)C1 ZINC000969560599 612998007 /nfs/dbraw/zinc/99/80/07/612998007.db2.gz HTFYCSACPYGPNB-JTQLQIEISA-N 0 3 280.755 2.006 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)c1sccc1CC#N ZINC000875483990 649913240 /nfs/dbraw/zinc/91/32/40/649913240.db2.gz HKXMSPNNHPQANE-UHFFFAOYSA-N 0 3 279.409 2.226 20 30 CEEDHN C=CC[NH+](CC=C)CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819743115 606884934 /nfs/dbraw/zinc/88/49/34/606884934.db2.gz CTRRWFHFUGLECM-UHFFFAOYSA-N 0 3 299.378 2.310 20 30 CEEDHN N#CCCCC[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826381194 608531024 /nfs/dbraw/zinc/53/10/24/608531024.db2.gz AWOAQGHVRHSHIN-UHFFFAOYSA-N 0 3 282.351 2.139 20 30 CEEDHN N#CCCCC[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826381194 608531025 /nfs/dbraw/zinc/53/10/25/608531025.db2.gz AWOAQGHVRHSHIN-UHFFFAOYSA-N 0 3 282.351 2.139 20 30 CEEDHN C=C(C)C[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823877842 608533148 /nfs/dbraw/zinc/53/31/48/608533148.db2.gz HROHORUSVIPLEC-UHFFFAOYSA-N 0 3 255.325 2.022 20 30 CEEDHN C=C(C)C[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823877842 608533149 /nfs/dbraw/zinc/53/31/49/608533149.db2.gz HROHORUSVIPLEC-UHFFFAOYSA-N 0 3 255.325 2.022 20 30 CEEDHN C#CCCC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823840734 609145507 /nfs/dbraw/zinc/14/55/07/609145507.db2.gz CUSRADGAMKSFSQ-SNVBAGLBSA-N 0 3 273.315 2.070 20 30 CEEDHN C#CCCC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823840734 609145508 /nfs/dbraw/zinc/14/55/08/609145508.db2.gz CUSRADGAMKSFSQ-SNVBAGLBSA-N 0 3 273.315 2.070 20 30 CEEDHN C=C[C@H](C)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823882878 609149094 /nfs/dbraw/zinc/14/90/94/609149094.db2.gz FGUPELULSRAMBZ-DTWKUNHWSA-N 0 3 261.304 2.231 20 30 CEEDHN C=C[C@H](C)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823882878 609149095 /nfs/dbraw/zinc/14/90/95/609149095.db2.gz FGUPELULSRAMBZ-DTWKUNHWSA-N 0 3 261.304 2.231 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C2(C3CCCCC3)CC2)C1 ZINC000970577171 612960282 /nfs/dbraw/zinc/96/02/82/612960282.db2.gz OXMZCAAHIMCFLG-OAHLLOKOSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)CCc2cc(Cl)cs2)C1 ZINC000970119949 612960664 /nfs/dbraw/zinc/96/06/64/612960664.db2.gz CYHCWVJOQYIPBZ-GFCCVEGCSA-N 0 3 296.823 2.158 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](CC)c2ccc(F)cc2)C1 ZINC000970824224 612962464 /nfs/dbraw/zinc/96/24/64/612962464.db2.gz KSXZZPIBJYEJMH-CVEARBPZSA-N 0 3 288.366 2.143 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC000970831754 612962873 /nfs/dbraw/zinc/96/28/73/612962873.db2.gz ZECJJRFFCBMELV-KGLIPLIRSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc(C3CC3)[nH]c2C2CC2)C1 ZINC000969083803 612964759 /nfs/dbraw/zinc/96/47/59/612964759.db2.gz WWOSMOKWPOBJFO-CQSZACIVSA-N 0 3 297.402 2.207 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc(C)c(F)cc2Cl)C1 ZINC000970590356 612964904 /nfs/dbraw/zinc/96/49/04/612964904.db2.gz ZWOKQWFHKKJFCW-LLVKDONJSA-N 0 3 294.757 2.225 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc(C)c(C)cc2Cl)C1 ZINC000969573548 612964936 /nfs/dbraw/zinc/96/49/36/612964936.db2.gz MPKBWKYVCTZHRO-CYBMUJFWSA-N 0 3 290.794 2.394 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc3ccccc3s2)C1 ZINC000969226829 612965257 /nfs/dbraw/zinc/96/52/57/612965257.db2.gz DWICMELOYFEXJJ-CYBMUJFWSA-N 0 3 284.384 2.339 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC000968705156 612965709 /nfs/dbraw/zinc/96/57/09/612965709.db2.gz JUOHDAODJXFUNC-LLVKDONJSA-N 0 3 296.292 2.201 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(F)c3ccccc23)C1 ZINC000970052505 612965906 /nfs/dbraw/zinc/96/59/06/612965906.db2.gz NWEKXSHKKLAWFG-CYBMUJFWSA-N 0 3 296.345 2.416 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000970561966 612966255 /nfs/dbraw/zinc/96/62/55/612966255.db2.gz 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C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ncccc2CC)C1 ZINC000967081089 613025472 /nfs/dbraw/zinc/02/54/72/613025472.db2.gz ALCDIFGLLNSIBK-GOEBONIOSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)Cc2cccc(C)c2)C(C)(C)C1 ZINC000974999301 613031687 /nfs/dbraw/zinc/03/16/87/613031687.db2.gz VHXNUGLHHLWEEQ-QGZVFWFLSA-N 0 3 298.430 2.387 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)[C@]2(C)C=CCC2)C(C)(C)C1 ZINC000974960901 613032406 /nfs/dbraw/zinc/03/24/06/613032406.db2.gz NFQUDVNDJDNIDQ-RHSMWYFYSA-N 0 3 274.408 2.193 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2(C3CC3)CCC2)C(C)(C)C1 ZINC000974873714 613037121 /nfs/dbraw/zinc/03/71/21/613037121.db2.gz VVYUJKDESQZYGU-HNNXBMFYSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cccc(F)c2)C(C)(C)C1 ZINC000972774892 613038352 /nfs/dbraw/zinc/03/83/52/613038352.db2.gz UEDLYWAYOKEGBC-HNNXBMFYSA-N 0 3 288.366 2.289 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)C2CC(C)(C)C2)CC1 ZINC000948349534 613161201 /nfs/dbraw/zinc/16/12/01/613161201.db2.gz ORGNWENSHIJURM-OAHLLOKOSA-N 0 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20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2csc(C(C)C)n2)C1 ZINC000989562005 632205514 /nfs/dbraw/zinc/20/55/14/632205514.db2.gz LZWFCVUAJNKCCX-NEPJUHHUSA-N 0 3 291.420 2.092 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccn2C2CCCC2)C1 ZINC000989616632 632213254 /nfs/dbraw/zinc/21/32/54/632213254.db2.gz YIZYFAAQSPWTSO-GJZGRUSLSA-N 0 3 299.418 2.429 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCSC1 ZINC000810528859 632223091 /nfs/dbraw/zinc/22/30/91/632223091.db2.gz XJBGIDRPQWYDCY-NWDGAFQWSA-N 0 3 282.409 2.145 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCSC1 ZINC000810528858 632223675 /nfs/dbraw/zinc/22/36/75/632223675.db2.gz XJBGIDRPQWYDCY-NEPJUHHUSA-N 0 3 282.409 2.145 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(CC)c(CC)o2)C1 ZINC000989687425 632224443 /nfs/dbraw/zinc/22/44/43/632224443.db2.gz XSWNPBSLTJDCPU-GXTWGEPZSA-N 0 3 288.391 2.230 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)cc2)C1 ZINC000989703318 632227138 /nfs/dbraw/zinc/22/71/38/632227138.db2.gz 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/nfs/dbraw/zinc/26/33/87/632263387.db2.gz PVLZDMZZCFSKST-NWDGAFQWSA-N 0 3 291.420 2.092 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)Cc3cccs3)CCC[C@H]12 ZINC000989915302 632278846 /nfs/dbraw/zinc/27/88/46/632278846.db2.gz FWLNWMWRZZVIJB-GOEBONIOSA-N 0 3 288.416 2.037 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3c(C)ccn3C)CCC[C@@H]12 ZINC000990438856 632356347 /nfs/dbraw/zinc/35/63/47/632356347.db2.gz SQQXPBNJBRVDMK-QAPCUYQASA-N 0 3 299.418 2.084 20 30 CEEDHN Cc1noc(C)c1[C@@H](C)NCCNc1ccc(C#N)cn1 ZINC000927168357 632701043 /nfs/dbraw/zinc/70/10/43/632701043.db2.gz RWACXTDQQXBNGZ-SNVBAGLBSA-N 0 3 285.351 2.321 20 30 CEEDHN COCc1ccccc1/C=C(\C)C=Nn1cnnc1 ZINC000814212318 632812616 /nfs/dbraw/zinc/81/26/16/632812616.db2.gz NEYCOQNRYLRVBS-AXFGUZBISA-N 0 3 256.309 2.362 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC2(C#N)CC2)c1 ZINC000815907859 633077504 /nfs/dbraw/zinc/07/75/04/633077504.db2.gz MRJHWRBYIMHVHE-CYBMUJFWSA-N 0 3 281.315 2.336 20 30 CEEDHN C[C@@H](O)CC(C)(C)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902872549 634865842 /nfs/dbraw/zinc/86/58/42/634865842.db2.gz JIDKVMWFNSRDJJ-NEPJUHHUSA-N 0 3 261.369 2.401 20 30 CEEDHN CCCCCCCC(=O)N[C@H](CO)CN1CCCCC1 ZINC000816567045 633414197 /nfs/dbraw/zinc/41/41/97/633414197.db2.gz OVDIUECJGUDIGE-HNNXBMFYSA-N 0 3 284.444 2.310 20 30 CEEDHN O[C@@H]1CCC[C@H]1NN=C1CCCC[C@@H]1N1CCCCC1 ZINC000817334529 633632587 /nfs/dbraw/zinc/63/25/87/633632587.db2.gz KGCXEGOWXJDCJG-OWCLPIDISA-N 0 3 279.428 2.274 20 30 CEEDHN Cc1ccc([C@@H](O)CNCc2ccc(C#N)c(F)c2)o1 ZINC000817409046 633649425 /nfs/dbraw/zinc/64/94/25/633649425.db2.gz XCPOKSWUINYZTO-AWEZNQCLSA-N 0 3 274.295 2.422 20 30 CEEDHN N#CC1(NC(=O)c2ccc(NC3=NCCC3)cc2)CCC1 ZINC000900397295 633700508 /nfs/dbraw/zinc/70/05/08/633700508.db2.gz IBFIVVJAFJNEBK-UHFFFAOYSA-N 0 3 282.347 2.467 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C(/C)C(C)(C)C ZINC000818599157 633956799 /nfs/dbraw/zinc/95/67/99/633956799.db2.gz CFSCFLQVYAPRKQ-SEYXRHQNSA-N 0 3 250.386 2.050 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000819198403 634102619 /nfs/dbraw/zinc/10/26/19/634102619.db2.gz RKZOCOMILXLAAL-LPWJVIDDSA-N 0 3 281.450 2.399 20 30 CEEDHN CC[C@H](N[C@H](C)C(=O)N(C)CC)c1cccc(C#N)c1 ZINC000902971276 634923733 /nfs/dbraw/zinc/92/37/33/634923733.db2.gz VOVKFSZGYSAZQY-DOMZBBRYSA-N 0 3 273.380 2.466 20 30 CEEDHN CCC[C@H](C)[C@@H](CO)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903039633 634941699 /nfs/dbraw/zinc/94/16/99/634941699.db2.gz WFUVIFALACPZCX-SLEUVZQESA-N 0 3 261.369 2.401 20 30 CEEDHN CCC[C@H](C)[C@H](CO)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903039632 634941828 /nfs/dbraw/zinc/94/18/28/634941828.db2.gz WFUVIFALACPZCX-HUBLWGQQSA-N 0 3 261.369 2.401 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](Nc2ncccn2)C1 ZINC000903022634 634945123 /nfs/dbraw/zinc/94/51/23/634945123.db2.gz JXIPMRLTYVZPSG-MRXNPFEDSA-N 0 3 293.374 2.343 20 30 CEEDHN C=C[C@H](CO)N[C@@H]1C[C@@H](C)Cc2cc(OC)ccc21 ZINC000903055893 634948317 /nfs/dbraw/zinc/94/83/17/634948317.db2.gz DPOMIWJMVUHRGT-NORZTCDRSA-N 0 3 261.365 2.455 20 30 CEEDHN C[C@H](NC[C@H]1CCCN1CC(F)F)c1cc(C#N)ccn1 ZINC000903063762 634951911 /nfs/dbraw/zinc/95/19/11/634951911.db2.gz HYHJUKFCARGPOX-WCQYABFASA-N 0 3 294.349 2.333 20 30 CEEDHN C[C@H](C#N)OCCN1CCC(c2ccncc2)CC1 ZINC000801950873 634983960 /nfs/dbraw/zinc/98/39/60/634983960.db2.gz PKUOQZFXCYOVSD-CYBMUJFWSA-N 0 3 259.353 2.190 20 30 CEEDHN C[C@@H](C#N)OCCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000823618169 635233488 /nfs/dbraw/zinc/23/34/88/635233488.db2.gz ONDFSBKSPJYCOR-STQMWFEESA-N 0 3 257.337 2.480 20 30 CEEDHN C=C[C@H](CC)CC(=O)N[C@]1(C)CN2CCC1CC2 ZINC000824895496 635520331 /nfs/dbraw/zinc/52/03/31/635520331.db2.gz YCLCLRJLHMGQMO-IUODEOHRSA-N 0 3 250.386 2.189 20 30 CEEDHN COc1cc(C)c(/C=C2\C(=O)c3ncnn3C2C)cc1OC ZINC000905081479 635797498 /nfs/dbraw/zinc/79/74/98/635797498.db2.gz QYRNJPNKUPLMKO-OGGBREFQSA-N 0 3 299.330 2.445 20 30 CEEDHN C#CC[C@H](NC[C@](C)(O)C(F)F)c1ccccc1 ZINC000905192289 635859509 /nfs/dbraw/zinc/85/95/09/635859509.db2.gz YOHQFTHPUIXQPN-JSGCOSHPSA-N 0 3 253.292 2.357 20 30 CEEDHN C[C@@](O)(CNCc1ccc(C#N)c(Cl)c1)C(F)F ZINC000905255162 636176866 /nfs/dbraw/zinc/17/68/66/636176866.db2.gz QEDYNVRPVOPSFT-GFCCVEGCSA-N 0 3 274.698 2.317 20 30 CEEDHN Cc1ccc(CNC[C@H](O)c2ccccn2)cc1C#N ZINC000905581019 636340345 /nfs/dbraw/zinc/34/03/45/636340345.db2.gz RULYJNYXLLMXGR-INIZCTEOSA-N 0 3 267.332 2.085 20 30 CEEDHN C#C[C@H](NCc1cnc(C(C)(C)C)nc1)C1CCOCC1 ZINC000827560294 636353197 /nfs/dbraw/zinc/35/31/97/636353197.db2.gz ONGMPVNHLDKRAL-HNNXBMFYSA-N 0 3 287.407 2.292 20 30 CEEDHN C#C[C@@H](NCc1ccc(C#N)c(OC)c1)C1CCOCC1 ZINC000827559236 636353549 /nfs/dbraw/zinc/35/35/49/636353549.db2.gz DCZQPVKVWCQKDL-MRXNPFEDSA-N 0 3 284.359 2.085 20 30 CEEDHN C#C[C@H](NCc1ccc(OC)c(C#N)c1)C1CCOCC1 ZINC000827565482 636354322 /nfs/dbraw/zinc/35/43/22/636354322.db2.gz MJJFRNYTWMAYIJ-INIZCTEOSA-N 0 3 284.359 2.085 20 30 CEEDHN C#C[C@@H](NCc1c(CC)nn(C)c1CC)C1CCOCC1 ZINC000827565161 636354778 /nfs/dbraw/zinc/35/47/78/636354778.db2.gz JLIBCQKYTPAPDZ-OAHLLOKOSA-N 0 3 289.423 2.063 20 30 CEEDHN C#C[C@H](NCc1cn(C)nc1C(C)(C)C)C1CCOCC1 ZINC000827566634 636355759 /nfs/dbraw/zinc/35/57/59/636355759.db2.gz XCQOTUKGPHOXBB-HNNXBMFYSA-N 0 3 289.423 2.236 20 30 CEEDHN C#CCCN(CCOC)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000827823864 636434596 /nfs/dbraw/zinc/43/45/96/636434596.db2.gz WQJIOZZPBZDFCM-UHFFFAOYSA-N 0 3 287.363 2.450 20 30 CEEDHN C[C@H](NCC[S@](=O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000905906928 636518827 /nfs/dbraw/zinc/51/88/27/636518827.db2.gz UGAGBNSCKNJVBM-UGZDLDLSSA-N 0 3 290.310 2.477 20 30 CEEDHN Cc1cc(C#N)cc(C)c1CC(=O)NCCN1CCCCC1 ZINC000906170931 636632918 /nfs/dbraw/zinc/63/29/18/636632918.db2.gz OPDMWRMIXLEBFA-UHFFFAOYSA-N 0 3 299.418 2.320 20 30 CEEDHN C#CCN(CCCC1CCOCC1)C1CSC1 ZINC000878910106 651208093 /nfs/dbraw/zinc/20/80/93/651208093.db2.gz NXFNCSVWKKNGLX-UHFFFAOYSA-N 0 3 253.411 2.244 20 30 CEEDHN C#C[C@H]1CC[C@H](NC(=O)N(CCN(C)C)C(C)C)CC1 ZINC000876443984 650280532 /nfs/dbraw/zinc/28/05/32/650280532.db2.gz WBVNAACDIRBQAG-SHTZXODSSA-N 0 3 279.428 2.160 20 30 CEEDHN N#Cc1cnccc1COC(=O)C1CN(C2CCCCC2)C1 ZINC000829269051 636815013 /nfs/dbraw/zinc/81/50/13/636815013.db2.gz HSXYPWZJEQOYFR-UHFFFAOYSA-N 0 3 299.374 2.261 20 30 CEEDHN Cc1cc(C#N)cc(C)c1CC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000906796915 636856450 /nfs/dbraw/zinc/85/64/50/636856450.db2.gz DVLSFKQARLQQJK-MRXNPFEDSA-N 0 3 299.418 2.270 20 30 CEEDHN C[C@@H]1CCN(CCNC(=O)[C@@]2(C#N)CC3CCC2CC3)C1 ZINC000906873032 636873736 /nfs/dbraw/zinc/87/37/36/636873736.db2.gz ZWIBSIIPXVCBIQ-ARAOSMHQSA-N 0 3 289.423 2.164 20 30 CEEDHN C#CC[C@H]1CCCN([C@@H](CCC)C(=O)OCC)C1 ZINC000829784473 636928925 /nfs/dbraw/zinc/92/89/25/636928925.db2.gz KOYHFSNXVFCBHY-KBPBESRZSA-N 0 3 251.370 2.454 20 30 CEEDHN C#CC[C@H]1CCCN([C@H](CCCC)C(=O)OC)C1 ZINC000829785352 636929343 /nfs/dbraw/zinc/92/93/43/636929343.db2.gz USHIGMZZSIQFJP-UONOGXRCSA-N 0 3 251.370 2.454 20 30 CEEDHN C#CCCCN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000830739038 637141445 /nfs/dbraw/zinc/14/14/45/637141445.db2.gz JDXUQMWPRRNMCO-CVEARBPZSA-N 0 3 261.340 2.200 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(OC)ccc1OC ZINC000876547222 650317937 /nfs/dbraw/zinc/31/79/37/650317937.db2.gz LOSXUGMVSFSVQE-SNVBAGLBSA-N 0 3 284.743 2.112 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccccc1F ZINC000876554828 650324020 /nfs/dbraw/zinc/32/40/20/650324020.db2.gz UWTQQKZPXWQZLX-GFCCVEGCSA-N 0 3 270.735 2.254 20 30 CEEDHN C#CCCCCCCN(C)CC(=O)NC(C)(C)C ZINC000876548373 650318071 /nfs/dbraw/zinc/31/80/71/650318071.db2.gz FDBJQJBVAHXPLT-UHFFFAOYSA-N 0 3 252.402 2.417 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C1CC1)C1CCCC1 ZINC000876585258 650345377 /nfs/dbraw/zinc/34/53/77/650345377.db2.gz GBPKMJCOCOQMIV-LBPRGKRZSA-N 0 3 256.777 2.390 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc(OC)cc1 ZINC000876576876 650341222 /nfs/dbraw/zinc/34/12/22/650341222.db2.gz SWARTBCPKBSHHW-GWCFXTLKSA-N 0 3 282.771 2.342 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C)c(OC)c1 ZINC000876615633 650360420 /nfs/dbraw/zinc/36/04/20/650360420.db2.gz JPLQDOQPKMJNOY-LBPRGKRZSA-N 0 3 282.771 2.090 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1OCCOC ZINC000876620501 650363423 /nfs/dbraw/zinc/36/34/23/650363423.db2.gz NHCKFZVKJRTBSB-NSHDSACASA-N 0 3 298.770 2.120 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCOc2ccccc21 ZINC000876632556 650368295 /nfs/dbraw/zinc/36/82/95/650368295.db2.gz WFAGORYOELZLTJ-STQMWFEESA-N 0 3 294.782 2.486 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000876643315 650371804 /nfs/dbraw/zinc/37/18/04/650371804.db2.gz WWKNCNOYEUWPSS-GHMZBOCLSA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2c(C)cccc2C1 ZINC000876649175 650374744 /nfs/dbraw/zinc/37/47/44/650374744.db2.gz NZZRISNSBVMWFR-AWEZNQCLSA-N 0 3 278.783 2.350 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1c(C)cccc1C ZINC000876655486 650378458 /nfs/dbraw/zinc/37/84/58/650378458.db2.gz LUQJANPISWQJOM-CYBMUJFWSA-N 0 3 266.772 2.390 20 30 CEEDHN CCN1CCCN(C(=O)c2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000910279528 637973918 /nfs/dbraw/zinc/97/39/18/637973918.db2.gz ARNATGJMNKRCET-AWEZNQCLSA-N 0 3 285.391 2.423 20 30 CEEDHN CN(C)c1ccc(C=NN[C@H]2CCOC2(C)C)cc1 ZINC000835014315 638021744 /nfs/dbraw/zinc/02/17/44/638021744.db2.gz FXRMRGFGHNQRNW-AWEZNQCLSA-N 0 3 261.369 2.244 20 30 CEEDHN CC1(C)OCC[C@@H]1NN=C1CCCc2ccc(N)cc21 ZINC000835020331 638026525 /nfs/dbraw/zinc/02/65/25/638026525.db2.gz GZHHTEBCQISOLL-HNNXBMFYSA-N 0 3 273.380 2.466 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)CCSCC ZINC000876669283 650391070 /nfs/dbraw/zinc/39/10/70/650391070.db2.gz HJCJDWPSDMSGEP-ZJUUUORDSA-N 0 3 264.822 2.104 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2cccc(F)c2)CC1 ZINC000876676046 650395126 /nfs/dbraw/zinc/39/51/26/650395126.db2.gz JJIRFAZWCQGBCD-GFCCVEGCSA-N 0 3 282.746 2.401 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000876686911 650398790 /nfs/dbraw/zinc/39/87/90/650398790.db2.gz BXMDWLYDIWFKCH-QJPTWQEYSA-N 0 3 288.844 2.343 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC(CC)(CC)SC ZINC000876690869 650401577 /nfs/dbraw/zinc/40/15/77/650401577.db2.gz TZTFSECZTJGZQN-JTQLQIEISA-N 0 3 278.849 2.494 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)c1c(C)nn(C)c1C ZINC000876690181 650401943 /nfs/dbraw/zinc/40/19/43/650401943.db2.gz GTMFEAFUKLSQLZ-RYUDHWBXSA-N 0 3 298.818 2.074 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C[C@H]3C=CCCC3)CCC[C@H]12 ZINC000991326777 638290708 /nfs/dbraw/zinc/29/07/08/638290708.db2.gz DCHAJUTUIYQJJW-XYJFISCASA-N 0 3 286.419 2.479 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc2c1CCN2 ZINC000911861249 638434203 /nfs/dbraw/zinc/43/42/03/638434203.db2.gz GEYPSWBSQKMBID-LBPRGKRZSA-N 0 3 259.353 2.277 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2nccs2)CCCC1 ZINC000876769959 650426136 /nfs/dbraw/zinc/42/61/36/650426136.db2.gz FBAQRZWOPBTHCA-JTQLQIEISA-N 0 3 299.827 2.499 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCOc1ccc(C)cc1 ZINC000912001850 638514560 /nfs/dbraw/zinc/51/45/60/638514560.db2.gz HRSNOXQGSGJFOR-HNNXBMFYSA-N 0 3 276.380 2.174 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ncc(C)s1)C1CC1 ZINC000876773279 650427430 /nfs/dbraw/zinc/42/74/30/650427430.db2.gz YILLGADVFRLOBM-QWRGUYRKSA-N 0 3 299.827 2.489 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)CCCCC ZINC000836201999 638572529 /nfs/dbraw/zinc/57/25/29/638572529.db2.gz KSTZWXNBUAPWGZ-CQSZACIVSA-N 0 3 267.417 2.210 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(F)c(C)c1 ZINC000912170734 638596309 /nfs/dbraw/zinc/59/63/09/638596309.db2.gz OVLVXLVWIITWOQ-AWEZNQCLSA-N 0 3 264.344 2.434 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000912225857 638615782 /nfs/dbraw/zinc/61/57/82/638615782.db2.gz MYUQELSBVNDGQQ-CVEARBPZSA-N 0 3 288.391 2.270 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCc2cc(N)ccc21 ZINC000876810825 650441626 /nfs/dbraw/zinc/44/16/26/650441626.db2.gz ZNFSAORUQAFLTK-UONOGXRCSA-N 0 3 293.798 2.232 20 30 CEEDHN CCCN1CC[C@H](NC(=O)[C@@]2(C#N)CC3CCC2CC3)C1 ZINC000912684454 638758404 /nfs/dbraw/zinc/75/84/04/638758404.db2.gz WUACAERECDHDAZ-UMPYDWHISA-N 0 3 289.423 2.307 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)Cc3ccccc3)CCC[C@@H]12 ZINC000991420057 639152154 /nfs/dbraw/zinc/15/21/54/639152154.db2.gz 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C=C(C)CN1CCC[C@@H](NC(=O)c2nccn2CC)[C@@H]1C ZINC000993290809 640573467 /nfs/dbraw/zinc/57/34/67/640573467.db2.gz VPSAKDDLEKBJDH-UONOGXRCSA-N 0 3 290.411 2.062 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC000993327903 640608438 /nfs/dbraw/zinc/60/84/38/640608438.db2.gz LVLFIAGYRMQEPB-HIFRSBDPSA-N 0 3 276.424 2.415 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(CC)n2)[C@H]1C ZINC000993446842 640647616 /nfs/dbraw/zinc/64/76/16/640647616.db2.gz UXNBNMKRPDIJPU-ZBFHGGJFSA-N 0 3 299.418 2.250 20 30 CEEDHN C=C[C@@H](C)ONC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000844284916 640658174 /nfs/dbraw/zinc/65/81/74/640658174.db2.gz YVZHKXBHAODXMJ-TZMCWYRMSA-N 0 3 277.368 2.095 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccc[nH]2)[C@H]1C ZINC000994441958 640833915 /nfs/dbraw/zinc/83/39/15/640833915.db2.gz NWVSXDANYXAVRZ-UKRRQHHQSA-N 0 3 275.396 2.102 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001015772980 640928523 /nfs/dbraw/zinc/92/85/23/640928523.db2.gz FSKCBHKRTGLVOF-RDJZCZTQSA-N 0 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/nfs/dbraw/zinc/56/45/82/646564582.db2.gz CFEVAXMEBNIVPE-CQSZACIVSA-N 0 3 288.395 2.039 20 30 CEEDHN Cc1cc(NN=Cc2ccc(O[C@H]3CCOC3)cc2)ccn1 ZINC000863160522 646658677 /nfs/dbraw/zinc/65/86/77/646658677.db2.gz IPDBYGRLMQGFGY-KRWDZBQOSA-N 0 3 297.358 2.426 20 30 CEEDHN CCN1CCCC[C@H]1C(=O)N(C)CCc1cccc(C#N)c1 ZINC000863434654 646723463 /nfs/dbraw/zinc/72/34/63/646723463.db2.gz RFTPJOMVXKLGTO-KRWDZBQOSA-N 0 3 299.418 2.434 20 30 CEEDHN CN(CCc1cccc(C#N)c1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000863440217 646725904 /nfs/dbraw/zinc/72/59/04/646725904.db2.gz OKBXPROOMFUGGO-KRWDZBQOSA-N 0 3 297.402 2.186 20 30 CEEDHN N#CCCNC(=O)CN[C@@H](CC1CC1)c1ccccc1 ZINC000775424236 646953371 /nfs/dbraw/zinc/95/33/71/646953371.db2.gz RSICNZMWOZSFLA-HNNXBMFYSA-N 0 3 271.364 2.147 20 30 CEEDHN CCN(CCC#N)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775647815 646976139 /nfs/dbraw/zinc/97/61/39/646976139.db2.gz BAAXPAQMQAIXNC-UHFFFAOYSA-N 0 3 286.423 2.174 20 30 CEEDHN C#C[C@H](NCCN1CCCc2ccccc21)[C@@H]1CCCO1 ZINC000775793838 646993733 /nfs/dbraw/zinc/99/37/33/646993733.db2.gz FTUNGWFGKOYAJV-WMZOPIPTSA-N 0 3 284.403 2.210 20 30 CEEDHN CC(C)C1N=NC(=S)N1N=Cc1cnccc1N(C)C ZINC000776179249 647032222 /nfs/dbraw/zinc/03/22/22/647032222.db2.gz PEQRAQRVMIKLAX-UHFFFAOYSA-N 0 3 290.396 2.033 20 30 CEEDHN COC(=O)c1ccccc1N=NC1C[C@@H](C)N(C2CC2)C1 ZINC000776189525 647034232 /nfs/dbraw/zinc/03/42/32/647034232.db2.gz KSASYYCLXPLRRV-LLVKDONJSA-N 0 3 287.363 2.498 20 30 CEEDHN CN(C)Cc1ccccc1CNC(=O)c1coc(C#N)c1 ZINC000864586049 647052929 /nfs/dbraw/zinc/05/29/29/647052929.db2.gz NYLISOCJDZXMFM-UHFFFAOYSA-N 0 3 283.331 2.143 20 30 CEEDHN C#CCCN1CCN(CCCSCC(C)C)CC1 ZINC000776594443 647077197 /nfs/dbraw/zinc/07/71/97/647077197.db2.gz GVEIDUFCXADBBM-UHFFFAOYSA-N 0 3 268.470 2.407 20 30 CEEDHN C=CCOCC[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000779998684 647380555 /nfs/dbraw/zinc/38/05/55/647380555.db2.gz GNMAGDLKXBITNX-UHFFFAOYSA-N 0 3 251.326 2.083 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN[C@H]1CO[C@H](C2CC2)C1 ZINC000865643028 647402794 /nfs/dbraw/zinc/40/27/94/647402794.db2.gz QIWOYSORTYMGME-WBVHZDCISA-N 0 3 285.391 2.281 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC=CO2)CC1 ZINC000780415053 647426249 /nfs/dbraw/zinc/42/62/49/647426249.db2.gz LOPGZMFFULETMG-HNNXBMFYSA-N 0 3 293.411 2.019 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccccc3)C2)nc1 ZINC000780555285 647443818 /nfs/dbraw/zinc/44/38/18/647443818.db2.gz GJEPYCOJSIRBFR-INIZCTEOSA-N 0 3 278.359 2.322 20 30 CEEDHN C=CCCn1cc(CNC[C@H]2CCC23CCOCC3)nn1 ZINC000865776611 647460294 /nfs/dbraw/zinc/46/02/94/647460294.db2.gz CRXZCDRUERTSDC-CQSZACIVSA-N 0 3 290.411 2.151 20 30 CEEDHN CCc1nocc1CN[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000865848841 647491961 /nfs/dbraw/zinc/49/19/61/647491961.db2.gz WDHIEVUVBVQPEJ-OAHLLOKOSA-N 0 3 267.332 2.366 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1C[C@@H]2C[C@]2(CO)C1 ZINC000782632920 647647380 /nfs/dbraw/zinc/64/73/80/647647380.db2.gz MUEPEOZBFKCAQB-WMLDXEAASA-N 0 3 270.376 2.302 20 30 CEEDHN N#Cc1ccc2c(c1)C[C@@H](Nc1ccnc(CO)c1)C2 ZINC000866259921 647700687 /nfs/dbraw/zinc/70/06/87/647700687.db2.gz QYMARIHIKSCQPX-HNNXBMFYSA-N 0 3 265.316 2.025 20 30 CEEDHN C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cccc(C#N)c1[O-] ZINC000866285264 647717077 /nfs/dbraw/zinc/71/70/77/647717077.db2.gz LPQHTYDGDYQINX-GWCFXTLKSA-N 0 3 282.347 2.195 20 30 CEEDHN COCC#CCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000785714601 647950075 /nfs/dbraw/zinc/95/00/75/647950075.db2.gz LYUCQHBXWYORFX-UHFFFAOYSA-N 0 3 287.359 2.089 20 30 CEEDHN C=CCOC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785710867 647950182 /nfs/dbraw/zinc/95/01/82/647950182.db2.gz KLTWMCRKLYPRSW-UHFFFAOYSA-N 0 3 289.375 2.234 20 30 CEEDHN CCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786551079 648027010 /nfs/dbraw/zinc/02/70/10/648027010.db2.gz ZUCJVTHRZQANEZ-CYBMUJFWSA-N 0 3 258.321 2.120 20 30 CEEDHN CN(Cc1ccc2cc[nH]c2c1)C(=O)[C@H](N)CCCC#N ZINC000868048055 648033657 /nfs/dbraw/zinc/03/36/57/648033657.db2.gz SMFLKLDJBMPUBT-CQSZACIVSA-N 0 3 284.363 2.147 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(F)ccc1CC ZINC000868581647 648181683 /nfs/dbraw/zinc/18/16/83/648181683.db2.gz SBKXPQGHTVEHNY-UHFFFAOYSA-N 0 3 276.355 2.073 20 30 CEEDHN CN(C)Cc1ccc(S(=O)(=O)OCC(F)(F)F)cc1 ZINC000788416075 648182006 /nfs/dbraw/zinc/18/20/06/648182006.db2.gz KNLVAFNDTGRDMG-UHFFFAOYSA-N 0 3 297.298 2.016 20 30 CEEDHN CN(C)c1ccc(C=NN[C@@H](CO)c2ccccc2)cc1 ZINC000788458098 648189519 /nfs/dbraw/zinc/18/95/19/648189519.db2.gz UKEUCVDVWJFHKR-KRWDZBQOSA-N 0 3 283.375 2.410 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CC[C@H](c2ccc(C)cc2C)C1 ZINC000791606684 648548409 /nfs/dbraw/zinc/54/84/09/648548409.db2.gz JVAUKTOFBOQELH-HOTGVXAUSA-N 0 3 284.403 2.231 20 30 CEEDHN COC(=O)[C@@H]1CC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000792200408 648624640 /nfs/dbraw/zinc/62/46/40/648624640.db2.gz IIKRECBQNPGFQL-YPMHNXCESA-N 0 3 276.311 2.129 20 30 CEEDHN CC[C@@H](NC(C)=O)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000870443792 648815022 /nfs/dbraw/zinc/81/50/22/648815022.db2.gz AAOPFEDQJQWEAW-WDEREUQCSA-N 0 3 291.376 2.111 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)N[C@H]1CCN(C2CCC2)C1=O ZINC000871885872 649206885 /nfs/dbraw/zinc/20/68/85/649206885.db2.gz SYGBLTYUQCHPHT-WMZOPIPTSA-N 0 3 296.414 2.364 20 30 CEEDHN CC(C)CN(CCC#N)C(=O)CN(C)CC(C)(C)C ZINC000874232693 649755099 /nfs/dbraw/zinc/75/50/99/649755099.db2.gz XEOYSQPQEBQPTH-UHFFFAOYSA-N 0 3 267.417 2.363 20 30 CEEDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(CC#N)cc1 ZINC000874833299 649846087 /nfs/dbraw/zinc/84/60/87/649846087.db2.gz MDQDCRCULMRWCJ-CVEARBPZSA-N 0 3 283.375 2.061 20 30 CEEDHN C=CCN(CCOC)C[C@H]1CCC2(CCOCC2)CO1 ZINC000878503255 651115020 /nfs/dbraw/zinc/11/50/20/651115020.db2.gz QIBDHBWLGLYWOW-OAHLLOKOSA-N 0 3 283.412 2.097 20 30 CEEDHN CCN1[C@H](C)CN(C[C@H](O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000878836896 651195079 /nfs/dbraw/zinc/19/50/79/651195079.db2.gz NUXQFEWKKUNHCG-VBQJREDUSA-N 0 3 287.407 2.006 20 30 CEEDHN CC(C)(C#N)CCN1CCc2c(CC(N)=O)cccc2C1 ZINC000879231729 651264965 /nfs/dbraw/zinc/26/49/65/651264965.db2.gz CCOGLHDKFLCHPQ-UHFFFAOYSA-N 0 3 285.391 2.012 20 30 CEEDHN CC1(C)C[C@@H](O)CN(CCOc2ccccc2C#N)C1 ZINC000879617766 651330205 /nfs/dbraw/zinc/33/02/05/651330205.db2.gz OMHPTIQIAIMVGO-CQSZACIVSA-N 0 3 274.364 2.030 20 30 CEEDHN C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647766 651335113 /nfs/dbraw/zinc/33/51/13/651335113.db2.gz KRRYMXPSRDPPKS-CYBMUJFWSA-N 0 3 276.380 2.467 20 30 CEEDHN CC(C)CC(=O)N1CCCN(CCCSCC#N)CC1 ZINC000879759098 651348357 /nfs/dbraw/zinc/34/83/57/651348357.db2.gz AZLBJFAPMLSDAL-UHFFFAOYSA-N 0 3 297.468 2.214 20 30 CEEDHN C#CCCN1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880325380 651425210 /nfs/dbraw/zinc/42/52/10/651425210.db2.gz SKQWWIJORSTWGH-LBPRGKRZSA-N 0 3 292.404 2.441 20 30 CEEDHN CC[C@@H](NCC(=O)NCCC#N)c1ccc(Cl)cc1 ZINC000024255404 651540848 /nfs/dbraw/zinc/54/08/48/651540848.db2.gz QBVWLBSQSQXYFT-CYBMUJFWSA-N 0 3 279.771 2.411 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)CCCSC ZINC000130974207 652362926 /nfs/dbraw/zinc/36/29/26/652362926.db2.gz CPCBTFPDFNXHKU-NSHDSACASA-N 0 3 270.398 2.145 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccc(OC)c(OCC(C)C)c1 ZINC000883123048 652368730 /nfs/dbraw/zinc/36/87/30/652368730.db2.gz JDNKANVMFLGWOQ-HNNXBMFYSA-N 0 3 291.391 2.204 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccccc1N1CCCCC1 ZINC000883122876 652368988 /nfs/dbraw/zinc/36/89/88/652368988.db2.gz CRDSQVZIGKLSNX-INIZCTEOSA-N 0 3 272.392 2.151 20 30 CEEDHN C#CC[C@@H](CO)NCc1cnc(C2CCCC2)s1 ZINC000883123570 652369304 /nfs/dbraw/zinc/36/93/04/652369304.db2.gz CEAUYWMNQQMXLF-LBPRGKRZSA-N 0 3 264.394 2.275 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccc(C(F)(F)F)s1 ZINC000883124467 652370331 /nfs/dbraw/zinc/37/03/31/652370331.db2.gz HPPSYCJYDFGREA-QMMMGPOBSA-N 0 3 263.284 2.241 20 30 CEEDHN CC#CC[C@H](CO)NCc1cc(F)cc(OCC)c1 ZINC000883156395 652381982 /nfs/dbraw/zinc/38/19/82/652381982.db2.gz MZQFSVUVDQHTQP-CQSZACIVSA-N 0 3 265.328 2.088 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cc(F)cc(OCC)c1 ZINC000883156394 652382202 /nfs/dbraw/zinc/38/22/02/652382202.db2.gz MZQFSVUVDQHTQP-AWEZNQCLSA-N 0 3 265.328 2.088 20 30 CEEDHN C#CC1(NCc2cccc(NS(C)(=O)=O)c2)CCCC1 ZINC000883362740 652444660 /nfs/dbraw/zinc/44/46/60/652444660.db2.gz MJFQGWPBYSIRMD-UHFFFAOYSA-N 0 3 292.404 2.094 20 30 CEEDHN C#Cc1ccc(CNC[C@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000883368493 652446517 /nfs/dbraw/zinc/44/65/17/652446517.db2.gz RSDKMLRQDBTTLS-NSHDSACASA-N 0 3 293.235 2.316 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cc(F)c(OC)cc1OC ZINC000883399009 652455935 /nfs/dbraw/zinc/45/59/35/652455935.db2.gz ATJBLQNVVCPVRK-LBPRGKRZSA-N 0 3 283.343 2.260 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cnc([C@H]2CCCO2)s1 ZINC000883400626 652456676 /nfs/dbraw/zinc/45/66/76/652456676.db2.gz REZLOKBZNSRJQX-WCQYABFASA-N 0 3 282.409 2.411 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1ccc(OC)cc1OC ZINC000883401393 652457235 /nfs/dbraw/zinc/45/72/35/652457235.db2.gz LRUDCCONINUBFN-CYBMUJFWSA-N 0 3 265.353 2.121 20 30 CEEDHN C=C(Br)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000132742380 652551783 /nfs/dbraw/zinc/55/17/83/652551783.db2.gz OEWFEZMIADIDEV-MXWKQRLJSA-N 0 3 272.186 2.442 20 30 CEEDHN Cc1ccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1C ZINC000884044319 652654152 /nfs/dbraw/zinc/65/41/52/652654152.db2.gz CQBURIWUAIKILW-XOYHFGRZSA-N 0 3 283.375 2.381 20 30 CEEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1cc(F)cc(F)c1)C2 ZINC000884063024 652685235 /nfs/dbraw/zinc/68/52/35/652685235.db2.gz KLRNKWYFOMHINF-KGXJWFGYSA-N 0 3 291.301 2.043 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](N)CC1CC1 ZINC000884097658 652707475 /nfs/dbraw/zinc/70/74/75/652707475.db2.gz MFHPZZIAQKBRJH-MRXNPFEDSA-N 0 3 288.391 2.337 20 30 CEEDHN COc1cccc(C)c1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884305763 652789211 /nfs/dbraw/zinc/78/92/11/652789211.db2.gz HLELJMXHFFDUCF-JZLYGMAVSA-N 0 3 299.374 2.082 20 30 CEEDHN C=CCC1(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)CCCC1 ZINC000884410328 652839798 /nfs/dbraw/zinc/83/97/98/652839798.db2.gz GWOWUWQFFMIJSO-BBBYJDLNSA-N 0 3 287.407 2.131 20 30 CEEDHN N#Cc1ccc(CNC[C@H](O)c2ccccc2)s1 ZINC000135668348 652977970 /nfs/dbraw/zinc/97/79/70/652977970.db2.gz JYAMEOXNHDGUDY-AWEZNQCLSA-N 0 3 258.346 2.443 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2sc(C)nc2C)CC1 ZINC001006385440 652995962 /nfs/dbraw/zinc/99/59/62/652995962.db2.gz WCJLOGWSLCXBSY-UHFFFAOYSA-N 0 3 293.436 2.482 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC001040035009 805663121 /nfs/dbraw/zinc/66/31/21/805663121.db2.gz BBWTXTDYIZFAGD-KRWDZBQOSA-N 0 3 274.408 2.124 20 30 CEEDHN C=CCN1CCC[C@@](C)(CNC(=O)/C=C\c2ccc[nH]2)C1 ZINC001270959096 805699892 /nfs/dbraw/zinc/69/98/92/805699892.db2.gz SAZDKEQAJNYWDN-QWPQOLDESA-N 0 3 287.407 2.432 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)C2=CCCC2)[C@H]1CC ZINC001087539804 805716096 /nfs/dbraw/zinc/71/60/96/805716096.db2.gz NNGAHZMJGDNCLR-LSDHHAIUSA-N 0 3 260.381 2.089 20 30 CEEDHN CC[C@H](F)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001271067733 805731787 /nfs/dbraw/zinc/73/17/87/805731787.db2.gz JXFQOSJGSYFAKB-HOCLYGCPSA-N 0 3 290.382 2.223 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)[C@@H]2Cc3ccccc32)[C@H]1CC ZINC001087707045 805775679 /nfs/dbraw/zinc/77/56/79/805775679.db2.gz YNUVHSFCHXEHDE-FGTMMUONSA-N 0 3 296.414 2.319 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(C)s3)C[C@@H]2C1 ZINC001087868295 805827677 /nfs/dbraw/zinc/82/76/77/805827677.db2.gz AEHJMGMGCSVGGE-KGLIPLIRSA-N 0 3 288.416 2.084 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(CC)ccn3)[C@@H]2C1 ZINC001075827461 805864648 /nfs/dbraw/zinc/86/46/48/805864648.db2.gz XCMIAGXEQLYELU-DOTOQJQBSA-N 0 3 299.418 2.366 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3csc(C)c3)C[C@@H]2C1 ZINC001088140173 805946379 /nfs/dbraw/zinc/94/63/79/805946379.db2.gz XHYUKNUVCFLDKL-HIFRSBDPSA-N 0 3 288.416 2.084 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)C3(F)CCCCC3)C[C@@H]2C1 ZINC001088160412 805953860 /nfs/dbraw/zinc/95/38/60/805953860.db2.gz RWUBXNVFZPGKDM-CABCVRRESA-N 0 3 292.398 2.072 20 30 CEEDHN CC1(C)CC(C(=O)NCCNCc2ccc(C#N)cc2)C1 ZINC001126601576 806039390 /nfs/dbraw/zinc/03/93/90/806039390.db2.gz KGPDPUNPNFPOEZ-UHFFFAOYSA-N 0 3 285.391 2.200 20 30 CEEDHN COc1ccc2c(c1)C[C@@H](N1CCC(C#N)CC1)C2 ZINC001168264374 806471483 /nfs/dbraw/zinc/47/14/83/806471483.db2.gz RZRIHPIMEYJIJK-HNNXBMFYSA-N 0 3 256.349 2.398 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001272092972 806508072 /nfs/dbraw/zinc/50/80/72/806508072.db2.gz LLRODLSBTGFNGU-INIZCTEOSA-N 0 3 290.382 2.432 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c[nH]nc2C(C)C)[C@H]1C ZINC001088695613 806651648 /nfs/dbraw/zinc/65/16/48/806651648.db2.gz XVPNRPZTXMVTOO-OCCSQVGLSA-N 0 3 290.411 2.302 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC001088806506 806735078 /nfs/dbraw/zinc/73/50/78/806735078.db2.gz KZSBJIPBJANJLF-OCCSQVGLSA-N 0 3 262.397 2.025 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3ccc(F)cc3)[C@@H]2C1 ZINC001076521365 806856051 /nfs/dbraw/zinc/85/60/51/806856051.db2.gz QSJJSKUACYHVHQ-GOEBONIOSA-N 0 3 288.366 2.087 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001266301207 802411320 /nfs/dbraw/zinc/41/13/20/802411320.db2.gz HLIDNABSIHNLRR-QKDCVEJESA-N 0 3 264.413 2.437 20 30 CEEDHN C=CCCCN1CC[C@@H](NC(=O)c2scnc2C)C1 ZINC001266305538 802418194 /nfs/dbraw/zinc/41/81/94/802418194.db2.gz RDTIMENRPCTYKC-GFCCVEGCSA-N 0 3 279.409 2.222 20 30 CEEDHN C=CCN(C)CCNC(=O)c1nccc2ccccc21 ZINC001266314119 802430103 /nfs/dbraw/zinc/43/01/03/802430103.db2.gz SONUQRYQLFRIPZ-UHFFFAOYSA-N 0 3 269.348 2.082 20 30 CEEDHN C=CCN(C)CCNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001266329658 802448058 /nfs/dbraw/zinc/44/80/58/802448058.db2.gz CHFUHFLXFSXNCW-MRXNPFEDSA-N 0 3 272.392 2.026 20 30 CEEDHN C=CCN(CC[N@H+](C)Cc1ccccc1[O-])C(=O)OCC ZINC001209020183 802448930 /nfs/dbraw/zinc/44/89/30/802448930.db2.gz CVHVLVPATJLAPI-UHFFFAOYSA-N 0 3 292.379 2.469 20 30 CEEDHN C=CCN(CC[N@@H+](C)Cc1ccccc1[O-])C(=O)OCC ZINC001209020183 802448934 /nfs/dbraw/zinc/44/89/34/802448934.db2.gz CVHVLVPATJLAPI-UHFFFAOYSA-N 0 3 292.379 2.469 20 30 CEEDHN C=CCOCCN1CC[C@@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001266332943 802451580 /nfs/dbraw/zinc/45/15/80/802451580.db2.gz DABBTYRXGFVYDP-JKSUJKDBSA-N 0 3 292.423 2.126 20 30 CEEDHN C=CCN(C)CCNC(=O)c1csc(-c2ccoc2)n1 ZINC001266340264 802459698 /nfs/dbraw/zinc/45/96/98/802459698.db2.gz QFGATNWCVKMLPT-UHFFFAOYSA-N 0 3 291.376 2.251 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001266352740 802478930 /nfs/dbraw/zinc/47/89/30/802478930.db2.gz GXAMCSRDMBQJIN-HUUCEWRRSA-N 0 3 264.413 2.273 20 30 CEEDHN CC[C@@H](F)CN(C)C[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001266456374 802609427 /nfs/dbraw/zinc/60/94/27/802609427.db2.gz VINIKOWCCMAYJG-HZPDHXFCSA-N 0 3 294.414 2.318 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](CN(C)CCF)C1 ZINC001266463794 802612819 /nfs/dbraw/zinc/61/28/19/802612819.db2.gz PNXHXUKJLRMACB-CYBMUJFWSA-N 0 3 270.392 2.339 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)CC(C)(C)C=C ZINC001266464512 802613362 /nfs/dbraw/zinc/61/33/62/802613362.db2.gz BQYCZQUQTIYJCM-ZDUSSCGKSA-N 0 3 250.386 2.355 20 30 CEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)CC3(C)CCCC3)[C@@H]2C1 ZINC001282859546 802615007 /nfs/dbraw/zinc/61/50/07/802615007.db2.gz PYWOSWRHYHYZCD-PHZGNYQRSA-N 0 3 288.435 2.274 20 30 CEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001266480365 802625251 /nfs/dbraw/zinc/62/52/51/802625251.db2.gz PKUZATOSYAJHNX-HNNXBMFYSA-N 0 3 292.423 2.126 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)CCCC(F)(F)F ZINC001266483257 802626413 /nfs/dbraw/zinc/62/64/13/802626413.db2.gz RLICXGVAIREGIB-NSHDSACASA-N 0 3 278.318 2.486 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)c1ncc(C)cc1C ZINC001266566942 802722444 /nfs/dbraw/zinc/72/24/44/802722444.db2.gz PVZFQZMHMDVCMT-UHFFFAOYSA-N 0 3 287.407 2.164 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)c1cccc2c[nH]nc21 ZINC001266566523 802722496 /nfs/dbraw/zinc/72/24/96/802722496.db2.gz GPPNRMMBPKUIDX-UHFFFAOYSA-N 0 3 298.390 2.028 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)C1CC2(CCC2)C1 ZINC001266569006 802725386 /nfs/dbraw/zinc/72/53/86/802725386.db2.gz YDGCYOQSJFSFBW-UHFFFAOYSA-N 0 3 276.424 2.418 20 30 CEEDHN C=CCC(C)(C)C(=O)NCCCNCc1conc1CC ZINC001167363326 802737444 /nfs/dbraw/zinc/73/74/44/802737444.db2.gz RTGQTVVQWOCFHB-UHFFFAOYSA-N 0 3 293.411 2.435 20 30 CEEDHN C=CCCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001266580765 802739289 /nfs/dbraw/zinc/73/92/89/802739289.db2.gz GVHXHYXXAOOCBF-QAQDUYKDSA-N 0 3 282.387 2.241 20 30 CEEDHN C=C(C)CN(CCNC(=O)/C=C/c1ccc[nH]1)C1CC1 ZINC001266590068 802749520 /nfs/dbraw/zinc/74/95/20/802749520.db2.gz AFUPUOHEOJNSQP-VMPITWQZSA-N 0 3 273.380 2.185 20 30 CEEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](NCc2ccc(F)cn2)C1 ZINC001266595994 802754185 /nfs/dbraw/zinc/75/41/85/802754185.db2.gz OPPWWBMUACHMDC-SHTZXODSSA-N 0 3 291.370 2.314 20 30 CEEDHN CN(CCNCc1ccc(C#N)c(F)c1)C(=O)C1CCC1 ZINC001266625934 802793173 /nfs/dbraw/zinc/79/31/73/802793173.db2.gz WVHZVTDIYMNXHV-UHFFFAOYSA-N 0 3 289.354 2.045 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc(C)cc(C)n2)C1 ZINC001046432907 811755345 /nfs/dbraw/zinc/75/53/45/811755345.db2.gz RWXYQDLKNXJPJL-QGZVFWFLSA-N 0 3 287.407 2.469 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N(C)CCNC[C@H](F)CC ZINC001266827951 802928471 /nfs/dbraw/zinc/92/84/71/802928471.db2.gz HENPPERXDBSTMQ-TZMCWYRMSA-N 0 3 258.381 2.385 20 30 CEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C(C)(C)C(F)F ZINC001266856362 802947306 /nfs/dbraw/zinc/94/73/06/802947306.db2.gz PEBYRKMRVACVDR-GFCCVEGCSA-N 0 3 286.366 2.272 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)CCCC#CC)C1 ZINC001266895392 802976275 /nfs/dbraw/zinc/97/62/75/802976275.db2.gz NSWUIKVDXSTLJE-JKSUJKDBSA-N 0 3 274.408 2.030 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CSCCC ZINC001279539016 802989248 /nfs/dbraw/zinc/98/92/48/802989248.db2.gz BJCRYHLLGLERKF-KBPBESRZSA-N 0 3 282.453 2.381 20 30 CEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc3ncccc3c2)C1 ZINC001267016344 803062628 /nfs/dbraw/zinc/06/26/28/803062628.db2.gz QUBYPOXLFYBGMN-INIZCTEOSA-N 0 3 293.370 2.062 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)/C=C(/C)C3CC3)C[C@H]21 ZINC001041959521 803113343 /nfs/dbraw/zinc/11/33/43/803113343.db2.gz BQCBVBWQZPZYEP-RICGDEPASA-N 0 3 286.419 2.289 20 30 CEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@@H](CC)SC)C1 ZINC001267103010 803129073 /nfs/dbraw/zinc/12/90/73/803129073.db2.gz QVMGIDGSOVEKHA-UONOGXRCSA-N 0 3 282.453 2.074 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3CC(F)(F)C3)C[C@@H]21 ZINC001042004898 803192721 /nfs/dbraw/zinc/19/27/21/803192721.db2.gz DLUOCKHRIAFETQ-YPMHNXCESA-N 0 3 284.350 2.141 20 30 CEEDHN C#CCCN(C)CCNC(=O)CO[C@H]1CCCC[C@@H]1CC ZINC001267194178 803217462 /nfs/dbraw/zinc/21/74/62/803217462.db2.gz JZBZGHFUUYRHMI-HOTGVXAUSA-N 0 3 294.439 2.043 20 30 CEEDHN C=CC(C)(C)C(=O)NCCN(C)C[C@H](OC)C1CCCC1 ZINC001267211477 803236334 /nfs/dbraw/zinc/23/63/34/803236334.db2.gz FLMLSTAVBZWPEZ-HNNXBMFYSA-N 0 3 296.455 2.452 20 30 CEEDHN C#CCCN(C)CCNC(=O)C1(C)CCCCC1 ZINC001267215357 803239008 /nfs/dbraw/zinc/23/90/08/803239008.db2.gz KQKLZIUSAZCLJK-UHFFFAOYSA-N 0 3 250.386 2.028 20 30 CEEDHN C=CCN(C)CCNC(=O)[C@H](C)c1cccc(C)c1 ZINC001267219697 803243962 /nfs/dbraw/zinc/24/39/62/803243962.db2.gz XQKDENRRUJKFEY-CQSZACIVSA-N 0 3 260.381 2.333 20 30 CEEDHN C[C@@H]1C[C@H](NCc2nc(C#N)cs2)C[C@H](C)O1 ZINC000724651498 803246745 /nfs/dbraw/zinc/24/67/45/803246745.db2.gz RHKXHGIEUJNTDH-MYJAWHEDSA-N 0 3 251.355 2.060 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)C[C@H](C)n1cccc1 ZINC001267226368 803254200 /nfs/dbraw/zinc/25/42/00/803254200.db2.gz HBPLYJCKRNKWDL-AWEZNQCLSA-N 0 3 263.385 2.063 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](C)c1cccnc1 ZINC001267280476 803325213 /nfs/dbraw/zinc/32/52/13/803325213.db2.gz DTXILIVWHNSFMA-HOCLYGCPSA-N 0 3 287.407 2.342 20 30 CEEDHN C=CCN(CCNC(=O)[C@]1(C)CC=CCC1)C1CC1 ZINC001267326826 803370456 /nfs/dbraw/zinc/37/04/56/803370456.db2.gz XUZAVFNYGTYGKO-MRXNPFEDSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCN(CCNC(=O)C1CCC(=C)CC1)C1CC1 ZINC001267332720 803378946 /nfs/dbraw/zinc/37/89/46/803378946.db2.gz QQUJZZDQWCEEDD-UHFFFAOYSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCN(CCNC(=O)c1cccc2nccnc21)C1CC1 ZINC001267334651 803379990 /nfs/dbraw/zinc/37/99/90/803379990.db2.gz CZKATQYFSRGUIW-UHFFFAOYSA-N 0 3 296.374 2.010 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(C(C)C)cn2)C1 ZINC001023588199 803389384 /nfs/dbraw/zinc/38/93/84/803389384.db2.gz SQSFAHCLZFOXSO-OAHLLOKOSA-N 0 3 299.418 2.280 20 30 CEEDHN C=CCOC(=O)N1CCC2(CN(Cc3cc[nH]c3)C2)CC1 ZINC001140704689 803466356 /nfs/dbraw/zinc/46/63/56/803466356.db2.gz CIKRBCGDGNPIIW-UHFFFAOYSA-N 0 3 289.379 2.235 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC[C@@H]3CCN(CC#CC)[C@@H]3C2)C1 ZINC001042225744 803568440 /nfs/dbraw/zinc/56/84/40/803568440.db2.gz YFJUUKMONCVWCX-JKSUJKDBSA-N 0 3 286.419 2.289 20 30 CEEDHN CNCc1cc(N[C@@H](C)c2cccc(C#N)c2)ncn1 ZINC001167707288 803586215 /nfs/dbraw/zinc/58/62/15/803586215.db2.gz NTIITLMQVPEDEU-NSHDSACASA-N 0 3 267.336 2.241 20 30 CEEDHN CCCCCCN1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001267610799 803613846 /nfs/dbraw/zinc/61/38/46/803613846.db2.gz AECDCLIWXPZZOU-CQSZACIVSA-N 0 3 297.468 2.404 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@H](C)C(F)(F)F)C1 ZINC001267618055 803624496 /nfs/dbraw/zinc/62/44/96/803624496.db2.gz WXRZFZAHGZBHRT-NWDGAFQWSA-N 0 3 290.329 2.179 20 30 CEEDHN C=C(Cl)CNCC1(NC(=O)C(C)C)CCCC1 ZINC001267833030 803762840 /nfs/dbraw/zinc/76/28/40/803762840.db2.gz MLTOVPUHZQVLFH-UHFFFAOYSA-N 0 3 258.793 2.414 20 30 CEEDHN C#CCNCc1ccc(CNC(=O)[C@@]2(C)C=CCC2)cc1 ZINC001267936620 803831079 /nfs/dbraw/zinc/83/10/79/803831079.db2.gz JIZDBKJLCFKVPW-SFHVURJKSA-N 0 3 282.387 2.382 20 30 CEEDHN C#CCCCCC(=O)NCCNCc1ccnc(Cl)c1 ZINC001125967043 803930208 /nfs/dbraw/zinc/93/02/08/803930208.db2.gz JLHSSHVMJQQLCW-UHFFFAOYSA-N 0 3 293.798 2.134 20 30 CEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H](F)CC)C[C@H](C)O2 ZINC001098623674 803969608 /nfs/dbraw/zinc/96/96/08/803969608.db2.gz NUHBLUJFYPCXOL-KBPBESRZSA-N 0 3 298.402 2.002 20 30 CEEDHN C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)Cc2ccsc2)C1 ZINC001027330552 804040928 /nfs/dbraw/zinc/04/09/28/804040928.db2.gz SGJWTEVRDBNQPJ-TZMCWYRMSA-N 0 3 291.420 2.331 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001027487641 804086326 /nfs/dbraw/zinc/08/63/26/804086326.db2.gz ZNJDANSOHMJFNN-RBSFLKMASA-N 0 3 276.424 2.225 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2ccc(C)cc2)C1 ZINC001027482248 804088267 /nfs/dbraw/zinc/08/82/67/804088267.db2.gz WBNPYXKTEHRXQU-QGZVFWFLSA-N 0 3 284.403 2.094 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@](C)(C=C)CC)C1 ZINC001027559565 804122204 /nfs/dbraw/zinc/12/22/04/804122204.db2.gz BJZPVLOCQQCYSI-GOEBONIOSA-N 0 3 262.397 2.145 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc3[nH]ccc32)C1 ZINC001027590699 804142044 /nfs/dbraw/zinc/14/20/44/804142044.db2.gz DCKYLJROFDXKMC-AWEZNQCLSA-N 0 3 295.386 2.338 20 30 CEEDHN C=CC[NH2+]C1(CNC(=O)c2ccccc2[O-])CCCC1 ZINC001268032641 804148771 /nfs/dbraw/zinc/14/87/71/804148771.db2.gz PIWZUMSZZMTCJH-UHFFFAOYSA-N 0 3 274.364 2.210 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001027606979 804152235 /nfs/dbraw/zinc/15/22/35/804152235.db2.gz PKFYQUJSIPWLCV-KSZLIROESA-N 0 3 296.414 2.346 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccoc1C ZINC001027742337 804230219 /nfs/dbraw/zinc/23/02/19/804230219.db2.gz NIUHWQNJSBYMSJ-ZDUSSCGKSA-N 0 3 262.353 2.358 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(C)n1C ZINC001027743356 804233108 /nfs/dbraw/zinc/23/31/08/804233108.db2.gz GUMCFZHWXQKTET-CQSZACIVSA-N 0 3 275.396 2.104 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc2cccnn21 ZINC001038787715 804254207 /nfs/dbraw/zinc/25/42/07/804254207.db2.gz XYNGHRSHGYADJS-OAHLLOKOSA-N 0 3 298.390 2.105 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc[nH]c1C ZINC001027814772 804271843 /nfs/dbraw/zinc/27/18/43/804271843.db2.gz CGRSJKGQXUWLHB-CYBMUJFWSA-N 0 3 261.369 2.093 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ncccc1C ZINC001027818452 804274787 /nfs/dbraw/zinc/27/47/87/804274787.db2.gz QULQANNGXIIJKU-AWEZNQCLSA-N 0 3 273.380 2.160 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3ccsc3C)C2)C1 ZINC001041260128 804279922 /nfs/dbraw/zinc/27/99/22/804279922.db2.gz SCPRJDPMVWUNMJ-INIZCTEOSA-N 0 3 288.416 2.228 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1[nH]ccc1C ZINC001027855905 804303050 /nfs/dbraw/zinc/30/30/50/804303050.db2.gz ZTVXKVMHZARYGY-CYBMUJFWSA-N 0 3 261.369 2.093 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cccc(C)c1F ZINC001027896879 804328783 /nfs/dbraw/zinc/32/87/83/804328783.db2.gz 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/nfs/dbraw/zinc/70/28/07/804702807.db2.gz CENUGDLIAYYATC-CMDGGOBGSA-N 0 3 284.403 2.247 20 30 CEEDHN CC#CCNCCN(CC)C(=O)c1ccc(C)nc1C1CC1 ZINC001268465956 804710429 /nfs/dbraw/zinc/71/04/29/804710429.db2.gz CAFMYFXYZOQUQU-UHFFFAOYSA-N 0 3 299.418 2.342 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)COC(C)C ZINC001225195095 804715353 /nfs/dbraw/zinc/71/53/53/804715353.db2.gz GUBOAYXACRTGEV-CHWSQXEVSA-N 0 3 288.819 2.181 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(CF)cc1 ZINC001028342196 804721543 /nfs/dbraw/zinc/72/15/43/804721543.db2.gz GSLWDMMRJKOKGH-MRXNPFEDSA-N 0 3 288.366 2.374 20 30 CEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccccc2)[C@H](OC)C1 ZINC001211780167 804774470 /nfs/dbraw/zinc/77/44/70/804774470.db2.gz VXOUAVSYLHOWBQ-HZPDHXFCSA-N 0 3 288.391 2.082 20 30 CEEDHN CC(C)=CC(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001268512742 804795193 /nfs/dbraw/zinc/79/51/93/804795193.db2.gz QGOCDTCHUZQBBZ-ARJAWSKDSA-N 0 3 283.375 2.286 20 30 CEEDHN C#CCNC/C=C/CNC(=O)[C@@H](CC)OC1CCCCC1 ZINC001268542655 804811611 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ZINC001269521477 805185935 /nfs/dbraw/zinc/18/59/35/805185935.db2.gz AYQMFHIZOOBYGB-AWEZNQCLSA-N 0 3 264.413 2.320 20 30 CEEDHN C=Cc1ccc(C(=O)NC[C@@H]2CCN(CC#CC)C2)cc1 ZINC001028822757 805279603 /nfs/dbraw/zinc/27/96/03/805279603.db2.gz COZHICSIUQSYOT-INIZCTEOSA-N 0 3 282.387 2.405 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001028860357 805318273 /nfs/dbraw/zinc/31/82/73/805318273.db2.gz VCSDVKUBWLAXCP-RYQLBKOJSA-N 0 3 296.414 2.170 20 30 CEEDHN CC#CCNCc1ccc(CNC(=O)C#CC(C)C)cc1 ZINC001270060423 805325576 /nfs/dbraw/zinc/32/55/76/805325576.db2.gz MQFLIWRIPYHJPY-UHFFFAOYSA-N 0 3 282.387 2.075 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2cccc(C(F)F)c2)C1 ZINC001028940791 805373356 /nfs/dbraw/zinc/37/33/56/805373356.db2.gz PXPDQOQZTJHKOX-GFCCVEGCSA-N 0 3 292.329 2.309 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)C2CCC(C(F)F)CC2)C1 ZINC001028961243 805386090 /nfs/dbraw/zinc/38/60/90/805386090.db2.gz SUVARNVOZXDAPK-IYXRBSQSSA-N 0 3 298.377 2.129 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@@H](C(C)(C)O)C1 ZINC000721774853 805394529 /nfs/dbraw/zinc/39/45/29/805394529.db2.gz AFXHSXRLTANNMR-CQSZACIVSA-N 0 3 274.364 2.160 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001029011820 805432755 /nfs/dbraw/zinc/43/27/55/805432755.db2.gz CAECZVCUHHDMLI-WLYUNCDWSA-N 0 3 276.424 2.130 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001029012652 805432915 /nfs/dbraw/zinc/43/29/15/805432915.db2.gz SNQNIABTTJOOSN-GJZGRUSLSA-N 0 3 276.424 2.274 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2c(C)cccc2F)C1 ZINC001029019040 805441783 /nfs/dbraw/zinc/44/17/83/805441783.db2.gz GSOYCYNDNMKNRR-CQSZACIVSA-N 0 3 288.366 2.209 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)c2cccs2)[C@H]1C ZINC001088852446 807211336 /nfs/dbraw/zinc/21/13/36/807211336.db2.gz PPUGIJCTMCKXOM-MJBXVCDLSA-N 0 3 290.432 2.454 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)c2cccs2)[C@H]1C ZINC001088852445 807211737 /nfs/dbraw/zinc/21/17/37/807211737.db2.gz PPUGIJCTMCKXOM-MCIONIFRSA-N 0 3 290.432 2.454 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)cc(F)c2)[C@H]1C ZINC001088876641 807256332 /nfs/dbraw/zinc/25/63/32/807256332.db2.gz YGGCXZVKENUSHT-CJNGLKHVSA-N 0 3 288.366 2.350 20 30 CEEDHN C[C@H](NC[C@](C)(O)C(F)F)c1ccc(C#N)cc1 ZINC000698655349 807340872 /nfs/dbraw/zinc/34/08/72/807340872.db2.gz XZWOBMWZCQQLGU-ZANVPECISA-N 0 3 254.280 2.225 20 30 CEEDHN C#CCC1(O)CCN(Cc2cccn2C2CC2)CC1 ZINC001119450397 815115447 /nfs/dbraw/zinc/11/54/47/815115447.db2.gz HOTBQYCDXDRCOY-UHFFFAOYSA-N 0 3 258.365 2.173 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(CC)on3)CCC[C@H]12 ZINC000992422463 807508801 /nfs/dbraw/zinc/50/88/01/807508801.db2.gz OFIXWKRNFLKFBM-GOEBONIOSA-N 0 3 289.379 2.150 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001046592637 807663839 /nfs/dbraw/zinc/66/38/39/807663839.db2.gz MZVIEWYBWNZNHU-WBVHZDCISA-N 0 3 270.376 2.093 20 30 CEEDHN CCCCCCCCCN1CCN(C)C[C@H]1CO ZINC000699447702 807709721 /nfs/dbraw/zinc/70/97/21/807709721.db2.gz LRBRWXCSRZHKQU-HNNXBMFYSA-N 0 3 256.434 2.345 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ZINC001033205130 809236222 /nfs/dbraw/zinc/23/62/22/809236222.db2.gz BZYPSHLMYYJDRY-LBPRGKRZSA-N 0 3 272.339 2.141 20 30 CEEDHN CNC(=O)C(C#N)C(=O)CSCc1cccc(Cl)c1 ZINC000133266806 809249003 /nfs/dbraw/zinc/24/90/03/809249003.db2.gz XITDUQMBJHRVPO-NSHDSACASA-N 0 3 296.779 2.028 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H]2CCC(C)(C)CO2)C1 ZINC001033277619 809256886 /nfs/dbraw/zinc/25/68/86/809256886.db2.gz ZGHVZLLWDFJSCM-HUUCEWRRSA-N 0 3 294.439 2.300 20 30 CEEDHN C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(CC(=C)C)C2)cc1 ZINC001033319228 809266788 /nfs/dbraw/zinc/26/67/88/809266788.db2.gz RINCCRKUUVOLJB-QGZVFWFLSA-N 0 3 282.387 2.390 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@]2(C)C=CCC2)C1 ZINC001033337138 809276076 /nfs/dbraw/zinc/27/60/76/809276076.db2.gz GIEIFLVZWCKPQQ-GDBMZVCRSA-N 0 3 262.397 2.452 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CC2CC(OCC)C2)C1 ZINC001033344619 809280291 /nfs/dbraw/zinc/28/02/91/809280291.db2.gz YNGBILBGUMECIY-HWOWSKLDSA-N 0 3 294.439 2.300 20 30 CEEDHN 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ZINC001086901643 814646472 /nfs/dbraw/zinc/64/64/72/814646472.db2.gz KVJNQSPAIRHNHC-CQSZACIVSA-N 0 3 294.464 2.076 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)CC3CC(C)(C)C3)C[C@]2(C)C1 ZINC001091946807 814682481 /nfs/dbraw/zinc/68/24/81/814682481.db2.gz NCBZBSJLBCSHOU-QAPCUYQASA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C3(CC)CCCC3)C[C@]2(C)C1 ZINC001092155075 814690639 /nfs/dbraw/zinc/69/06/39/814690639.db2.gz HXUTVRZWZQBVLM-WBVHZDCISA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1ccccc1C ZINC001115318434 814693544 /nfs/dbraw/zinc/69/35/44/814693544.db2.gz SRGTZEVGPUBHJB-BGTYHANMSA-N 0 3 298.430 2.406 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2sccc2Cl)[C@H](C)C1 ZINC001092628068 814724239 /nfs/dbraw/zinc/72/42/39/814724239.db2.gz DHCMQODQWVMJJW-GHMZBOCLSA-N 0 3 296.823 2.332 20 30 CEEDHN CCN1CC[C@@H]1CNc1c(C#N)cnc2ccccc21 ZINC000712547425 814765708 /nfs/dbraw/zinc/76/57/08/814765708.db2.gz LHYHHSPFHQHLTA-CYBMUJFWSA-N 0 3 266.348 2.034 20 30 CEEDHN CC(C)CNN=Cc1ccccc1N1CCOCC1 ZINC001116457694 814854628 /nfs/dbraw/zinc/85/46/28/814854628.db2.gz IPTYRBMCPPMYMD-UHFFFAOYSA-N 0 3 261.369 2.103 20 30 CEEDHN C[C@@H](NCC[C@H]1CCCS1(=O)=O)c1cccc(C#N)c1 ZINC000714342173 814896119 /nfs/dbraw/zinc/89/61/19/814896119.db2.gz MSBTXXTURABASY-IUODEOHRSA-N 0 3 292.404 2.176 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NC[C@H]1CN(CC(=C)C)CCCO1 ZINC001150141272 815597107 /nfs/dbraw/zinc/59/71/07/815597107.db2.gz ZCKFROBWNZDHGN-HOTGVXAUSA-N 0 3 294.439 2.372 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)C1CC1)C2 ZINC001110168535 815621835 /nfs/dbraw/zinc/62/18/35/815621835.db2.gz UIBNXXPFGGHEPF-OJLVUWQFSA-N 0 3 274.408 2.167 20 30 CEEDHN CC[C@@H]1CC[C@@H](N2CCN(c3nccnc3C#N)CC2)C1 ZINC001173286115 815670032 /nfs/dbraw/zinc/67/00/32/815670032.db2.gz DNGWMPJQTVWWIZ-ZIAGYGMSSA-N 0 3 285.395 2.049 20 30 CEEDHN N#CCC1CCC(N2CCC(=O)[C@@H](F)CC2)CC1 ZINC001173332300 815678917 /nfs/dbraw/zinc/67/89/17/815678917.db2.gz YZHCTXWFIJMIDO-BPCQOVAHSA-N 0 3 252.333 2.462 20 30 CEEDHN COc1nc(N[C@H]2CCN(C3CCC3)C2)c(F)cc1C#N ZINC001161177361 815685313 /nfs/dbraw/zinc/68/53/13/815685313.db2.gz OWSOBCOFXGYDFA-NSHDSACASA-N 0 3 290.342 2.140 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccco1)C2 ZINC001095105919 815693595 /nfs/dbraw/zinc/69/35/95/815693595.db2.gz GRUDKCGIKQPXGC-AGIUHOORSA-N 0 3 260.337 2.191 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@@](C)(O)C2)cc1OC ZINC001138345763 815771780 /nfs/dbraw/zinc/77/17/80/815771780.db2.gz OJYGOAAOSKIDEK-QGZVFWFLSA-N 0 3 289.375 2.054 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncoc1CC)C2 ZINC001095257875 815823336 /nfs/dbraw/zinc/82/33/36/815823336.db2.gz YSJGSHJHVQJJRD-AGIUHOORSA-N 0 3 289.379 2.148 20 30 CEEDHN C#CCOc1ccc(CN2C[C@H](C(=O)OC)C3(CC3)C2)cc1 ZINC001138560637 815829926 /nfs/dbraw/zinc/82/99/26/815829926.db2.gz DRACWSMBCLCYPV-MRXNPFEDSA-N 0 3 299.370 2.084 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1[O-] ZINC001138624296 815847027 /nfs/dbraw/zinc/84/70/27/815847027.db2.gz BVJVNFYVJPWNNO-DOMZBBRYSA-N 0 3 261.365 2.323 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@H](O)[C@H](C)C2)c1[O-] ZINC001138624296 815847035 /nfs/dbraw/zinc/84/70/35/815847035.db2.gz BVJVNFYVJPWNNO-DOMZBBRYSA-N 0 3 261.365 2.323 20 30 CEEDHN C=CCc1cccc(C[N@@H+](CC)C2CN(C)C2)c1[O-] ZINC001138629844 815847955 /nfs/dbraw/zinc/84/79/55/815847955.db2.gz IVSHODJWPZEYAW-UHFFFAOYSA-N 0 3 260.381 2.257 20 30 CEEDHN C=CCc1cccc(C[N@H+](CC)C2CN(C)C2)c1[O-] ZINC001138629844 815847965 /nfs/dbraw/zinc/84/79/65/815847965.db2.gz IVSHODJWPZEYAW-UHFFFAOYSA-N 0 3 260.381 2.257 20 30 CEEDHN O=C1C=C2CN(Cc3cccc4ccnn43)CCC2S1 ZINC001138809712 815907706 /nfs/dbraw/zinc/90/77/06/815907706.db2.gz YGICGJNDHGUPKU-AWEZNQCLSA-N 0 3 285.372 2.108 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1C(C)(C)C1(C)C)C2 ZINC001095279967 815913846 /nfs/dbraw/zinc/91/38/46/815913846.db2.gz JGWSSIJNPRVQOO-RDBSUJKOSA-N 0 3 288.435 2.413 20 30 CEEDHN C=CCOc1ccccc1CN(C[C@@H](O)CO)C(C)(C)C ZINC001139028813 815947116 /nfs/dbraw/zinc/94/71/16/815947116.db2.gz DEUQYWAPHCYSJJ-OAHLLOKOSA-N 0 3 293.407 2.205 20 30 CEEDHN CCCn1cc(CN2CCC3SC(=O)C=C3C2)cn1 ZINC001139039751 815948288 /nfs/dbraw/zinc/94/82/88/815948288.db2.gz WXUATYHQCRJYPL-CYBMUJFWSA-N 0 3 277.393 2.067 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C#CC2CC2)C12CCC2 ZINC001202889042 815950644 /nfs/dbraw/zinc/95/06/44/815950644.db2.gz VNZYNYCFRASSQG-KBPBESRZSA-N 0 3 292.810 2.169 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cc(C)n(C)c1C ZINC001175660511 816259262 /nfs/dbraw/zinc/25/92/62/816259262.db2.gz UQCDBVBKEUYCLW-UHFFFAOYSA-N 0 3 283.803 2.104 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1c(C)onc1CC ZINC001175897851 816298432 /nfs/dbraw/zinc/29/84/32/816298432.db2.gz RNCZFSVDVMXPER-UHFFFAOYSA-N 0 3 285.775 2.007 20 30 CEEDHN C=CCN1C(=O)CC[C@@]12CCCN(Cc1cnco1)CC2 ZINC001140928840 816414041 /nfs/dbraw/zinc/41/40/41/816414041.db2.gz ZJSQFKVTXWSKHT-MRXNPFEDSA-N 0 3 289.379 2.208 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)C[C@@H]1CCCO1 ZINC001177231086 816534265 /nfs/dbraw/zinc/53/42/65/816534265.db2.gz ZUZRNHUHZGPOJU-YPMHNXCESA-N 0 3 288.819 2.040 20 30 CEEDHN O=C1C=C2CN(Cc3cccc4c3OCO4)CCC2S1 ZINC001141949605 816603188 /nfs/dbraw/zinc/60/31/88/816603188.db2.gz CNZVKYMYKOYHJB-ZDUSSCGKSA-N 0 3 289.356 2.189 20 30 CEEDHN N#Cc1ccc2c(CN3C[C@H]4CC[C@@H](C3)C4=O)c[nH]c2c1 ZINC001142922387 816757646 /nfs/dbraw/zinc/75/76/46/816757646.db2.gz GFTWNLUPYVEXBH-BETUJISGSA-N 0 3 279.343 2.450 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)/C=C(\C)CC)C1 ZINC001149688104 816889026 /nfs/dbraw/zinc/88/90/26/816889026.db2.gz SVYXHPICEMLDGA-HNRFISLBSA-N 0 3 280.412 2.126 20 30 CEEDHN C[C@H](O)C[C@@H]1CCCN1Cc1ccc(C#N)s1 ZINC000127724997 187329268 /nfs/dbraw/zinc/32/92/68/187329268.db2.gz QDFYWZIUCGQOKU-QWRGUYRKSA-N 0 3 250.367 2.355 20 30 CEEDHN CC#CCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000336524746 365595260 /nfs/dbraw/zinc/59/52/60/365595260.db2.gz ITQDBYWICVSVTM-UHFFFAOYSA-N 0 3 257.381 2.422 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000336581580 365673723 /nfs/dbraw/zinc/67/37/23/365673723.db2.gz MHAQLEXJWOPNBR-RISCZKNCSA-N 0 3 286.379 2.471 20 30 CEEDHN C=CCCOCCNCc1cncc(OCC)c1 ZINC000621343130 349568923 /nfs/dbraw/zinc/56/89/23/349568923.db2.gz WNKNQGQROKAZJU-UHFFFAOYSA-N 0 3 250.342 2.163 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2CCC)CC1 ZINC000080079371 343999648 /nfs/dbraw/zinc/99/96/48/343999648.db2.gz KAKWPBOBMCKHMI-JSGCOSHPSA-N 0 3 250.386 2.189 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1ccccc1CC#N ZINC000601579411 346853757 /nfs/dbraw/zinc/85/37/57/346853757.db2.gz ARDQQGLKLHQQCW-HNNXBMFYSA-N 0 3 285.391 2.357 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC(CC3CC3)C2)CC1 ZINC000621456655 349606710 /nfs/dbraw/zinc/60/67/10/349606710.db2.gz PHQSVZAHCKMPHH-UHFFFAOYSA-N 0 3 291.439 2.468 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H]2C(F)F)cc1 ZINC000601603738 346858466 /nfs/dbraw/zinc/85/84/66/346858466.db2.gz MGBBELDPYISDNB-CHWSQXEVSA-N 0 3 289.285 2.107 20 30 CEEDHN CC1(C)CCCN1CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601623691 346863599 /nfs/dbraw/zinc/86/35/99/346863599.db2.gz XRWAONZGSFHQMC-UHFFFAOYSA-N 0 3 275.396 2.061 20 30 CEEDHN C[C@H](CN1CCCC1=O)N[C@H](C)c1cccc(C#N)c1 ZINC000037782684 361937200 /nfs/dbraw/zinc/93/72/00/361937200.db2.gz CRJKDPZZDXDZIL-CHWSQXEVSA-N 0 3 271.364 2.220 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000337949242 214327982 /nfs/dbraw/zinc/32/79/82/214327982.db2.gz GOLRPBKROMISHD-SWLSCSKDSA-N 0 3 285.391 2.421 20 30 CEEDHN CCN1CCC(Nc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000037977430 361969508 /nfs/dbraw/zinc/96/95/08/361969508.db2.gz UKZWAKKDDZLPDV-UHFFFAOYSA-N 0 3 274.324 2.363 20 30 CEEDHN CC[C@@H](CN1CCN(CC#N)CC1)c1ccccc1 ZINC000353142452 529473458 /nfs/dbraw/zinc/47/34/58/529473458.db2.gz FRFVNCDOPQEQPO-HNNXBMFYSA-N 0 3 257.381 2.321 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000352273777 529490581 /nfs/dbraw/zinc/49/05/81/529490581.db2.gz QMFBDFFNCBSCDP-DOMZBBRYSA-N 0 3 263.385 2.059 20 30 CEEDHN C=C(C)[C@@H](CO)N(C)Cc1cc(OC)c(OC)cc1C ZINC000677132688 539189048 /nfs/dbraw/zinc/18/90/48/539189048.db2.gz MXMJCGDSYAINLY-CQSZACIVSA-N 0 3 279.380 2.381 20 30 CEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000329681971 539246541 /nfs/dbraw/zinc/24/65/41/539246541.db2.gz XEGBSWBIKMGTFU-LJISPDSOSA-N 0 3 290.411 2.151 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]c3cccnc23)CC1 ZINC000621859129 349713623 /nfs/dbraw/zinc/71/36/23/349713623.db2.gz VMUDCDQYUHUURN-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN CC(C#N)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000043522894 362147218 /nfs/dbraw/zinc/14/72/18/362147218.db2.gz MTDQNLULBJNEIT-SSDOTTSWSA-N 0 3 263.240 2.391 20 30 CEEDHN N#Cc1cc([N+](=O)[O-])ccc1NCCN1CCCCC1 ZINC000048065694 362244812 /nfs/dbraw/zinc/24/48/12/362244812.db2.gz MIIDFUZPJVZYGN-UHFFFAOYSA-N 0 3 274.324 2.364 20 30 CEEDHN N#Cc1ccccc1OC[C@H](O)CN1CC(CC2CC2)C1 ZINC000601958496 346943055 /nfs/dbraw/zinc/94/30/55/346943055.db2.gz ITJJVZRANALZTH-MRXNPFEDSA-N 0 3 286.375 2.030 20 30 CEEDHN CCC[C@@H](C)NC(=O)[C@H]1CCCN(CCCC#N)C1 ZINC000051053962 343547988 /nfs/dbraw/zinc/54/79/88/343547988.db2.gz WRQZJOGDEJHRKM-KGLIPLIRSA-N 0 3 265.401 2.307 20 30 CEEDHN CN(Cc1cccc(C#N)c1)C(=O)CC1CCN(C)CC1 ZINC000273166595 192063269 /nfs/dbraw/zinc/06/32/69/192063269.db2.gz DFFFEXDVLRWXRN-UHFFFAOYSA-N 0 3 285.391 2.249 20 30 CEEDHN C=CCOc1cccc(NC(=O)N[C@@H]2CCCN(C)C2)c1 ZINC000056752739 343619763 /nfs/dbraw/zinc/61/97/63/343619763.db2.gz AWGSZKHEPWTURJ-CQSZACIVSA-N 0 3 289.379 2.467 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](C)CCc2ccco2)CC1 ZINC000057137168 343625406 /nfs/dbraw/zinc/62/54/06/343625406.db2.gz MZPWKUISCVTYTQ-AWEZNQCLSA-N 0 3 288.391 2.062 20 30 CEEDHN CCN1CCN([C@H](C)CNc2cccc(F)c2C#N)CC1 ZINC000060355832 343656865 /nfs/dbraw/zinc/65/68/65/343656865.db2.gz KLARXSCGURYLMW-CYBMUJFWSA-N 0 3 290.386 2.135 20 30 CEEDHN C=CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000065517717 343698854 /nfs/dbraw/zinc/69/88/54/343698854.db2.gz MVUZNAQDFIXUFL-INIZCTEOSA-N 0 3 287.407 2.384 20 30 CEEDHN C=CCN(CCC(=O)N(C)C)CCc1ccccc1 ZINC000065959511 343704322 /nfs/dbraw/zinc/70/43/22/343704322.db2.gz XYBKOCMDOVLPCE-UHFFFAOYSA-N 0 3 260.381 2.195 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(C)cc2F)CC1 ZINC000067706046 343742313 /nfs/dbraw/zinc/74/23/13/343742313.db2.gz XRQLIRSXNKEJMB-UHFFFAOYSA-N 0 3 274.339 2.418 20 30 CEEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000067996035 343751124 /nfs/dbraw/zinc/75/11/24/343751124.db2.gz URGBQWORPOOFFP-CYBMUJFWSA-N 0 3 293.363 2.053 20 30 CEEDHN CN(CC(=O)NC1(C#N)CCC1)C1CCC(F)(F)CC1 ZINC000331820375 529831544 /nfs/dbraw/zinc/83/15/44/529831544.db2.gz BQAOFQFSEGKUFN-UHFFFAOYSA-N 0 3 285.338 2.059 20 30 CEEDHN CC(C)CN(C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000068334999 343761635 /nfs/dbraw/zinc/76/16/35/343761635.db2.gz UUSOQOUJXASNFG-JSGCOSHPSA-N 0 3 253.390 2.017 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2cnc(C#N)cn2)CN1Cc1ccccc1 ZINC000126982253 187274612 /nfs/dbraw/zinc/27/46/12/187274612.db2.gz VMAKUJQFWLSTIU-UKRRQHHQSA-N 0 3 293.374 2.423 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)C1CCN(C)CC1 ZINC000073119264 343821724 /nfs/dbraw/zinc/82/17/24/343821724.db2.gz GXNRDTLGZAJJND-UHFFFAOYSA-N 0 3 297.402 2.415 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H](c2c[nH]c3ncccc32)C1 ZINC000602197000 346993264 /nfs/dbraw/zinc/99/32/64/346993264.db2.gz KTAZEUGGZRAABI-NWDGAFQWSA-N 0 3 282.347 2.429 20 30 CEEDHN CC[C@@H](CO)N1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000075956163 343873635 /nfs/dbraw/zinc/87/36/35/343873635.db2.gz OTUPGTHCBGKSPU-YOEHRIQHSA-N 0 3 287.407 2.008 20 30 CEEDHN C=C(Cl)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000077790802 343933223 /nfs/dbraw/zinc/93/32/23/343933223.db2.gz NBIMXIJHNLFPQQ-AWEZNQCLSA-N 0 3 293.798 2.313 20 30 CEEDHN CN(C[C@H](O)c1ccc(C#N)cc1)C[C@H]1CCCCO1 ZINC000048947911 362313833 /nfs/dbraw/zinc/31/38/33/362313833.db2.gz PXCVXFNANKXTBQ-CVEARBPZSA-N 0 3 274.364 2.093 20 30 CEEDHN C=CCCC[C@H](C)N1CCN(c2ncccn2)CC1 ZINC000091506631 344165735 /nfs/dbraw/zinc/16/57/35/344165735.db2.gz NEKZVMYBWUVNEN-AWEZNQCLSA-N 0 3 260.385 2.343 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(Cc2nccn2C)CC1 ZINC000091511030 344166244 /nfs/dbraw/zinc/16/62/44/344166244.db2.gz IYDUEAMOPDTUQM-OAHLLOKOSA-N 0 3 276.428 2.283 20 30 CEEDHN C=CCCC[C@H](C)N1CCN(Cc2nc(C)no2)CC1 ZINC000091579857 344166994 /nfs/dbraw/zinc/16/69/94/344166994.db2.gz WGPZDBNHFQYPAM-ZDUSSCGKSA-N 0 3 278.400 2.240 20 30 CEEDHN C=CCCC[C@H](C)N1CCN(c2nccn2C)CC1 ZINC000091632023 344169549 /nfs/dbraw/zinc/16/95/49/344169549.db2.gz KNLJNUBOOKBPMJ-AWEZNQCLSA-N 0 3 262.401 2.287 20 30 CEEDHN N#Cc1ccc(NC2CCN([C@@H]3CCOC3)CC2)c(F)c1 ZINC000089602771 344125903 /nfs/dbraw/zinc/12/59/03/344125903.db2.gz LLRLNSQRZPIHKQ-CQSZACIVSA-N 0 3 289.354 2.363 20 30 CEEDHN C[C@@H](CCC#N)CN1CCN(c2ccc(O)cc2)CC1 ZINC000602429180 347029333 /nfs/dbraw/zinc/02/93/33/347029333.db2.gz NAFQRZBXTJPNAC-AWEZNQCLSA-N 0 3 273.380 2.454 20 30 CEEDHN N#Cc1csc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1 ZINC000092105936 344177413 /nfs/dbraw/zinc/17/74/13/344177413.db2.gz SGQBXJNYPSIEGG-TZMCWYRMSA-N 0 3 289.404 2.110 20 30 CEEDHN N#Cc1cccc(CN2CCN(C3CCCC3)CC2)n1 ZINC000602438543 347033463 /nfs/dbraw/zinc/03/34/63/347033463.db2.gz RYEBDQOBWJADOS-UHFFFAOYSA-N 0 3 270.380 2.013 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000153175029 344429077 /nfs/dbraw/zinc/42/90/77/344429077.db2.gz GNMHHHFPJMBLGB-SOUVJXGZSA-N 0 3 289.423 2.449 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000134553720 344375352 /nfs/dbraw/zinc/37/53/52/344375352.db2.gz CFKBYGAJIMWUEA-QGZVFWFLSA-N 0 3 297.402 2.439 20 30 CEEDHN N#Cc1cccc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)n1 ZINC000602484158 347055177 /nfs/dbraw/zinc/05/51/77/347055177.db2.gz HWZMIWWYXXABMM-KDOFPFPSSA-N 0 3 296.418 2.402 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@H]([C@@H]3CCOC3)C2)n1 ZINC000602483418 347055344 /nfs/dbraw/zinc/05/53/44/347055344.db2.gz GYYFDXCLRGIFFL-UONOGXRCSA-N 0 3 271.364 2.202 20 30 CEEDHN CC(C)(CNCc1cccc(C#N)n1)N1CCCCC1 ZINC000602506944 347061146 /nfs/dbraw/zinc/06/11/46/347061146.db2.gz YYEVNXJEHFLYLT-UHFFFAOYSA-N 0 3 272.396 2.307 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC2(CNC(=O)C2)CC1 ZINC000275729503 344670415 /nfs/dbraw/zinc/67/04/15/344670415.db2.gz UDSGEQDKDHGICE-CYBMUJFWSA-N 0 3 283.375 2.221 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000320338493 344751733 /nfs/dbraw/zinc/75/17/33/344751733.db2.gz APEGWOPAQLGKHU-DOMZBBRYSA-N 0 3 291.391 2.435 20 30 CEEDHN C[C@H](CN1CCC[C@@H](C)C1)NCc1cccc(C#N)n1 ZINC000602523798 347065867 /nfs/dbraw/zinc/06/58/67/347065867.db2.gz IFEDQJLPQVSAAI-ZIAGYGMSSA-N 0 3 272.396 2.163 20 30 CEEDHN N#Cc1cccc(CNCCCc2ccc(O)cc2)n1 ZINC000602547539 347072588 /nfs/dbraw/zinc/07/25/88/347072588.db2.gz QHRUBOVHNVFIPO-UHFFFAOYSA-N 0 3 267.332 2.381 20 30 CEEDHN CCO[C@@H]1C[C@H](NCc2cccc(C#N)n2)C12CCC2 ZINC000602548682 347072664 /nfs/dbraw/zinc/07/26/64/347072664.db2.gz VEMFTSDPTKPCHB-LSDHHAIUSA-N 0 3 271.364 2.391 20 30 CEEDHN CC[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)C1CC1 ZINC000324206370 344754031 /nfs/dbraw/zinc/75/40/31/344754031.db2.gz UHLGCSIEJCZATJ-HNNXBMFYSA-N 0 3 292.404 2.110 20 30 CEEDHN CO[C@@]1(C)C[C@H](NCc2cccc(C#N)n2)C1(C)C ZINC000602559404 347076766 /nfs/dbraw/zinc/07/67/66/347076766.db2.gz IHOXMPWJIXLZJH-ZFWWWQNUSA-N 0 3 259.353 2.246 20 30 CEEDHN C#CCCNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000367003188 344814752 /nfs/dbraw/zinc/81/47/52/344814752.db2.gz DHEXZIGCXDJDCD-GOSISDBHSA-N 0 3 299.418 2.221 20 30 CEEDHN C[C@H](CC#N)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390870740 344839082 /nfs/dbraw/zinc/83/90/82/344839082.db2.gz QNCLLUYJDZFGME-NVXWUHKLSA-N 0 3 287.407 2.169 20 30 CEEDHN N#CCCCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000404177128 344878719 /nfs/dbraw/zinc/87/87/19/344878719.db2.gz HORSBGJLBQTFJG-ZWKOTPCHSA-N 0 3 299.418 2.265 20 30 CEEDHN C[C@H]1c2ccsc2CCN1C(=O)[C@H](N)CCCC#N ZINC000424062617 344896770 /nfs/dbraw/zinc/89/67/70/344896770.db2.gz HFDPPKUGHXRSRP-CMPLNLGQSA-N 0 3 277.393 2.215 20 30 CEEDHN N#Cc1cccc(CNCCCc2ccccn2)n1 ZINC000602575270 347085002 /nfs/dbraw/zinc/08/50/02/347085002.db2.gz QYXRQOXMPVLLPZ-UHFFFAOYSA-N 0 3 252.321 2.071 20 30 CEEDHN C#C[C@@H](C)N(C)C[C@H](O)COCc1ccccc1Cl ZINC000491804919 344914507 /nfs/dbraw/zinc/91/45/07/344914507.db2.gz MVHKUEFTOWLIPQ-OCCSQVGLSA-N 0 3 281.783 2.171 20 30 CEEDHN CC[C@H](Cn1cncn1)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000585726647 345011977 /nfs/dbraw/zinc/01/19/77/345011977.db2.gz VTHFEXHGVLGXMT-GDBMZVCRSA-N 0 3 281.363 2.205 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CCCCCC#N ZINC000588645989 345049226 /nfs/dbraw/zinc/04/92/26/345049226.db2.gz RVWBYLGVZCMCEW-JSGCOSHPSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@@H](C#N)CN[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000054179497 362517697 /nfs/dbraw/zinc/51/76/97/362517697.db2.gz JQBFVBNOPNFTMM-RYUDHWBXSA-N 0 3 260.337 2.486 20 30 CEEDHN N#CCCCCCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000588155955 345039427 /nfs/dbraw/zinc/03/94/27/345039427.db2.gz GDTMRRCFOYGGPL-AWEZNQCLSA-N 0 3 263.385 2.157 20 30 CEEDHN CN(C)C1(CN(C)C(=O)CCCCCC#N)CCC1 ZINC000588164888 345041198 /nfs/dbraw/zinc/04/11/98/345041198.db2.gz XYZOEWYUGKQHPI-UHFFFAOYSA-N 0 3 265.401 2.403 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000588212817 345043108 /nfs/dbraw/zinc/04/31/08/345043108.db2.gz SCGKJRHWYYOJER-QGZVFWFLSA-N 0 3 297.402 2.311 20 30 CEEDHN CC(C)[C@H](CNCc1nc(C#N)cs1)c1ccnn1C ZINC000589317738 345077388 /nfs/dbraw/zinc/07/73/88/345077388.db2.gz HMZKKRBGWRBMGM-LBPRGKRZSA-N 0 3 289.408 2.278 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](C2CC2)C1 ZINC000588978281 345063525 /nfs/dbraw/zinc/06/35/25/345063525.db2.gz UVSQULNPGMNNKX-OCCSQVGLSA-N 0 3 275.396 2.059 20 30 CEEDHN CC[C@H](C)N1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000055066429 362542992 /nfs/dbraw/zinc/54/29/92/362542992.db2.gz LJFFQRGGYNUTEZ-HNNXBMFYSA-N 0 3 287.407 2.353 20 30 CEEDHN CCO[C@@H]1COC[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000590780087 345180208 /nfs/dbraw/zinc/18/02/08/345180208.db2.gz DRLWDPPSDFLNNP-GVDBMIGSSA-N 0 3 286.375 2.329 20 30 CEEDHN CN(C)Cc1c2ccccc2oc1C(=O)N1CC(C#N)C1 ZINC000590488412 345141044 /nfs/dbraw/zinc/14/10/44/345141044.db2.gz RXWYYURBKWKWBB-UHFFFAOYSA-N 0 3 283.331 2.090 20 30 CEEDHN N#Cc1cc(C(=O)NCCN2CCCC2)ccc1Cl ZINC000590617229 345152105 /nfs/dbraw/zinc/15/21/05/345152105.db2.gz LDAMCIXZTXRBJD-UHFFFAOYSA-N 0 3 277.755 2.037 20 30 CEEDHN CC(C)(C#N)CNC(=O)Nc1cccc2c1CCNC2 ZINC000591310349 345239378 /nfs/dbraw/zinc/23/93/78/345239378.db2.gz WGIOPWOFSNJXMG-UHFFFAOYSA-N 0 3 272.352 2.004 20 30 CEEDHN CN(C)[C@@H](CC(=O)N1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC000591320322 345240035 /nfs/dbraw/zinc/24/00/35/345240035.db2.gz QZVBBEOLPALVEJ-GOEBONIOSA-N 0 3 289.354 2.144 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H](C2CCC2)C1 ZINC000591062188 345215030 /nfs/dbraw/zinc/21/50/30/345215030.db2.gz WUZSSOWVKLWMEY-ZBFHGGJFSA-N 0 3 277.412 2.163 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(O)cc1 ZINC000591602147 345269074 /nfs/dbraw/zinc/26/90/74/345269074.db2.gz SORXQDIDFSSKKX-CABCVRRESA-N 0 3 287.363 2.077 20 30 CEEDHN CSC[C@@H](O)CNCc1ccc(C#N)c(Cl)c1 ZINC000591765717 345278341 /nfs/dbraw/zinc/27/83/41/345278341.db2.gz CEGTZSUAYXRVJE-NSHDSACASA-N 0 3 270.785 2.025 20 30 CEEDHN C[C@](O)(CN[C@H]1CCc2cc(C#N)ccc21)C(F)(F)F ZINC000591764289 345278457 /nfs/dbraw/zinc/27/84/57/345278457.db2.gz DJOHIOXGCPJJNO-STQMWFEESA-N 0 3 284.281 2.448 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](n2ccnn2)C1 ZINC000591850813 345288076 /nfs/dbraw/zinc/28/80/76/345288076.db2.gz KIBUQIJKMQPRIX-MRXNPFEDSA-N 0 3 281.363 2.295 20 30 CEEDHN CC[C@H](N[C@H]1CC[C@H](C#N)C1)C(=O)NCc1cccs1 ZINC000592393950 345349573 /nfs/dbraw/zinc/34/95/73/345349573.db2.gz LROLNJYZEIQFRQ-OBJOEFQTSA-N 0 3 291.420 2.425 20 30 CEEDHN CCCc1ccc(CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592150295 345330315 /nfs/dbraw/zinc/33/03/15/345330315.db2.gz DMNZZTWTDHVZTQ-INIZCTEOSA-N 0 3 258.365 2.490 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592159659 345332607 /nfs/dbraw/zinc/33/26/07/345332607.db2.gz POLIENXFGRTCBN-ZDUSSCGKSA-N 0 3 283.412 2.367 20 30 CEEDHN CCCN(C(=O)c1cccc(C#N)c1)[C@H]1CCN(C)C1 ZINC000592831874 345401635 /nfs/dbraw/zinc/40/16/35/345401635.db2.gz PVNTVOYJZSLTJY-HNNXBMFYSA-N 0 3 271.364 2.115 20 30 CEEDHN CC[C@H](C#N)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000593495307 345498396 /nfs/dbraw/zinc/49/83/96/345498396.db2.gz WQYNMQNRBRYUEG-HZPDHXFCSA-N 0 3 285.391 2.269 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)NCC1(C#N)CCCC1 ZINC000593304277 345464130 /nfs/dbraw/zinc/46/41/30/345464130.db2.gz ALGMJOJVAISLMR-AWEZNQCLSA-N 0 3 292.427 2.244 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)NCC1(C#N)CCCC1 ZINC000593313490 345465612 /nfs/dbraw/zinc/46/56/12/345465612.db2.gz DWWXZFCMSYUCIB-AWEZNQCLSA-N 0 3 294.443 2.346 20 30 CEEDHN CCOC(=O)CN(Cc1ccccc1)C(=O)C(C#N)CC ZINC000593424452 345483065 /nfs/dbraw/zinc/48/30/65/345483065.db2.gz HAUCWQSURRVZLL-CQSZACIVSA-N 0 3 288.347 2.128 20 30 CEEDHN CCC(C#N)C(=O)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000593749223 345532677 /nfs/dbraw/zinc/53/26/77/345532677.db2.gz BXYPUPOFKZJACL-JHJVBQTASA-N 0 3 294.395 2.362 20 30 CEEDHN C[C@H](C(=O)NCC1(C#N)CCCC1)N1[C@H](C)CC[C@@H]1C ZINC000593778123 345536044 /nfs/dbraw/zinc/53/60/44/345536044.db2.gz LRGCLIBILDNQGB-HZSPNIEDSA-N 0 3 277.412 2.448 20 30 CEEDHN CN1CCC(CC(=O)N2Cc3cccc(C#N)c3C2)CC1 ZINC000593889330 345548813 /nfs/dbraw/zinc/54/88/13/345548813.db2.gz YHVOXBBKVJYYJL-UHFFFAOYSA-N 0 3 283.375 2.132 20 30 CEEDHN CCC(C)(C)N1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000594020326 345568132 /nfs/dbraw/zinc/56/81/32/345568132.db2.gz HSQXBBCTUHOQML-UHFFFAOYSA-N 0 3 272.396 2.259 20 30 CEEDHN COC(=O)CCCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032139 345569870 /nfs/dbraw/zinc/56/98/70/345569870.db2.gz PLVJRGKZNIDPAT-UHFFFAOYSA-N 0 3 272.348 2.480 20 30 CEEDHN N#Cc1ccc(C2(NCCn3cccn3)CCC2)cc1 ZINC000594032467 345570108 /nfs/dbraw/zinc/57/01/08/345570108.db2.gz UAQROTJORCMARB-UHFFFAOYSA-N 0 3 266.348 2.424 20 30 CEEDHN CCC(C#N)C(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000593608584 345512606 /nfs/dbraw/zinc/51/26/06/345512606.db2.gz MSNCEZZEMVTFGA-VXGBXAGGSA-N 0 3 280.368 2.116 20 30 CEEDHN CCC(C#N)C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000593608581 345512785 /nfs/dbraw/zinc/51/27/85/345512785.db2.gz MSNCEZZEMVTFGA-NEPJUHHUSA-N 0 3 280.368 2.116 20 30 CEEDHN CC[C@@H](C#N)C(=O)Nc1ccccc1CCN(C)C ZINC000593639050 345515895 /nfs/dbraw/zinc/51/58/95/345515895.db2.gz NSZNHIMBYIUBFT-LBPRGKRZSA-N 0 3 259.353 2.279 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1cc(Cl)ccn1 ZINC000594468237 345636511 /nfs/dbraw/zinc/63/65/11/345636511.db2.gz LKTAGPMQQRWSFL-JTQLQIEISA-N 0 3 266.732 2.085 20 30 CEEDHN N#Cc1ccc(CC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000594194943 345596100 /nfs/dbraw/zinc/59/61/00/345596100.db2.gz BHRNPLDXRSYSLS-IAGOWNOFSA-N 0 3 297.402 2.234 20 30 CEEDHN N#Cc1cccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000594201088 345597455 /nfs/dbraw/zinc/59/74/55/345597455.db2.gz NHNWBRNBXYGZOQ-JKSUJKDBSA-N 0 3 283.375 2.305 20 30 CEEDHN N#Cc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000594203810 345598081 /nfs/dbraw/zinc/59/80/81/345598081.db2.gz UMEIIUGGYZPDQV-HOTGVXAUSA-N 0 3 283.375 2.305 20 30 CEEDHN C=CCSCCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594227289 345601035 /nfs/dbraw/zinc/60/10/35/345601035.db2.gz WNIAQHXCIFCKMP-ZIAGYGMSSA-N 0 3 297.468 2.222 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594230066 345601154 /nfs/dbraw/zinc/60/11/54/345601154.db2.gz LPBUQFQIQFCOFJ-MRXNPFEDSA-N 0 3 298.390 2.068 20 30 CEEDHN CC(C)(C#N)c1ccc(CNCCn2ccnc2)cc1 ZINC000594493450 345637636 /nfs/dbraw/zinc/63/76/36/345637636.db2.gz PDPHNWNPJVHYEX-UHFFFAOYSA-N 0 3 268.364 2.474 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCc1c[nH]c2ccccc12 ZINC000594426576 345626670 /nfs/dbraw/zinc/62/66/70/345626670.db2.gz PDBJSTDEWPENNE-OAHLLOKOSA-N 0 3 298.390 2.238 20 30 CEEDHN CN(C(=O)[C@H](N)CCCCC#N)C1CCCCC1 ZINC000594427530 345627476 /nfs/dbraw/zinc/62/74/76/345627476.db2.gz VBSQWOGYVGHLJG-CYBMUJFWSA-N 0 3 251.374 2.189 20 30 CEEDHN CCC[C@H]1CCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594433775 345629221 /nfs/dbraw/zinc/62/92/21/345629221.db2.gz SJBUUQGGJJETPY-UONOGXRCSA-N 0 3 265.401 2.436 20 30 CEEDHN CCCO[C@@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594434218 345629472 /nfs/dbraw/zinc/62/94/72/345629472.db2.gz LOFUCCCLMREKTI-CABCVRRESA-N 0 3 295.427 2.205 20 30 CEEDHN C[C@@H]1CCCN(C(=O)[C@H](N)CCCCC#N)[C@H]1C ZINC000594436161 345629570 /nfs/dbraw/zinc/62/95/70/345629570.db2.gz IVWRWQGVMSZFLE-FRRDWIJNSA-N 0 3 251.374 2.045 20 30 CEEDHN CC1(CNC(=O)[C@@H](N)CCCCC#N)CCCC1 ZINC000594434937 345630074 /nfs/dbraw/zinc/63/00/74/345630074.db2.gz WYERSBAOXIMSJT-LBPRGKRZSA-N 0 3 251.374 2.094 20 30 CEEDHN CCc1ccc(CCNC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594435123 345630166 /nfs/dbraw/zinc/63/01/66/345630166.db2.gz ATDPRBWDQIYWNN-INIZCTEOSA-N 0 3 287.407 2.319 20 30 CEEDHN CC(C)c1csc(CNC(=O)[C@H](N)CCCCC#N)n1 ZINC000594438736 345630605 /nfs/dbraw/zinc/63/06/05/345630605.db2.gz LCAWWKIFVREDFJ-LLVKDONJSA-N 0 3 294.424 2.294 20 30 CEEDHN CC1(C)CCC[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594443003 345632188 /nfs/dbraw/zinc/63/21/88/345632188.db2.gz FODIZSCPFZHSGV-VXGBXAGGSA-N 0 3 251.374 2.093 20 30 CEEDHN CS[C@@H]1CCC[C@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594447701 345633458 /nfs/dbraw/zinc/63/34/58/345633458.db2.gz VLPBFIJIDHKTBB-XQQFMLRXSA-N 0 3 283.441 2.188 20 30 CEEDHN N#Cc1ccc(N[C@@H]2CCCN3CCCC[C@H]23)cn1 ZINC000594601834 345657611 /nfs/dbraw/zinc/65/76/11/345657611.db2.gz OVGRCEMKWHNTIY-HUUCEWRRSA-N 0 3 256.353 2.382 20 30 CEEDHN C[C@@H](CNCc1cc(C#N)cs1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594509608 345639979 /nfs/dbraw/zinc/63/99/79/345639979.db2.gz GIHUZOABLMKNRQ-RWMBFGLXSA-N 0 3 293.436 2.207 20 30 CEEDHN C[C@H](CNCc1ccc(C#N)s1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594508873 345640250 /nfs/dbraw/zinc/64/02/50/345640250.db2.gz CXLQBOHIJRCRIF-UPJWGTAASA-N 0 3 293.436 2.207 20 30 CEEDHN CSCC1(CCNC(=O)[C@H](N)CCCCC#N)CC1 ZINC000595256512 345749804 /nfs/dbraw/zinc/74/98/04/345749804.db2.gz MSZCUQJFBNKSMD-GFCCVEGCSA-N 0 3 283.441 2.047 20 30 CEEDHN CC(C)=CCCN1CCN(c2cc(C#N)ccn2)CC1 ZINC000595289648 345755403 /nfs/dbraw/zinc/75/54/03/345755403.db2.gz GQENTVXXMDULIZ-UHFFFAOYSA-N 0 3 270.380 2.432 20 30 CEEDHN C=CCCn1cc(CNCCCCSC)nn1 ZINC000594924717 345704595 /nfs/dbraw/zinc/70/45/95/345704595.db2.gz MPTFKMZRNOWYCF-UHFFFAOYSA-N 0 3 254.403 2.087 20 30 CEEDHN CCO[C@@H]1COC[C@H]1NCc1ccc(C2(C#N)CC2)cc1 ZINC000594961001 345717123 /nfs/dbraw/zinc/71/71/23/345717123.db2.gz WAGYUPVEBTWBMO-HZPDHXFCSA-N 0 3 286.375 2.135 20 30 CEEDHN C=CCCSCCNCc1ccc2c(c1)nnn2C ZINC000594959710 345717388 /nfs/dbraw/zinc/71/73/88/345717388.db2.gz AOESTDUCNKANGC-UHFFFAOYSA-N 0 3 276.409 2.367 20 30 CEEDHN C=CCCSCCNCc1cnc(CC)nc1 ZINC000594967298 345719095 /nfs/dbraw/zinc/71/90/95/345719095.db2.gz LBKXOANWHISVQM-UHFFFAOYSA-N 0 3 251.399 2.438 20 30 CEEDHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NCC1(C#N)CCCCC1 ZINC000594985513 345721998 /nfs/dbraw/zinc/72/19/98/345721998.db2.gz WPZKUEMOTLFFMP-JHJVBQTASA-N 0 3 264.369 2.248 20 30 CEEDHN C[C@@H](CNC(=O)N1CC[C@@](C)(C#N)C1)N1CCC(C)CC1 ZINC000595547084 345809212 /nfs/dbraw/zinc/80/92/12/345809212.db2.gz LVWRUANDQYOAJT-HOCLYGCPSA-N 0 3 292.427 2.052 20 30 CEEDHN C=CCCSCCNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000595554881 345811838 /nfs/dbraw/zinc/81/18/38/345811838.db2.gz GOCPLKVAOGUODJ-GXTWGEPZSA-N 0 3 297.468 2.078 20 30 CEEDHN CC[C@@H](C)N(CC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000595592409 345819972 /nfs/dbraw/zinc/81/99/72/345819972.db2.gz DQRGVNBVKPRJAI-OCCSQVGLSA-N 0 3 253.390 2.161 20 30 CEEDHN CCOCCO[C@H]1CCN(CCc2ccc(C#N)cc2)C1 ZINC000595394362 345773697 /nfs/dbraw/zinc/77/36/97/345773697.db2.gz HZNVMYPQVREAEQ-KRWDZBQOSA-N 0 3 288.391 2.228 20 30 CEEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)[C@H](C)CN1C ZINC000595407550 345776085 /nfs/dbraw/zinc/77/60/85/345776085.db2.gz IXLJMPDVAURHCV-ZIAGYGMSSA-N 0 3 257.381 2.125 20 30 CEEDHN CC(C)(CNC(=O)N1CC[C@](C)(C#N)C1)N1CCCCC1 ZINC000595427839 345779713 /nfs/dbraw/zinc/77/97/13/345779713.db2.gz SVPXAKIPNKPOCR-MRXNPFEDSA-N 0 3 292.427 2.196 20 30 CEEDHN CC(C)=CCCN1CCN(c2cccc(C#N)n2)CC1 ZINC000595434339 345781902 /nfs/dbraw/zinc/78/19/02/345781902.db2.gz AAEWCKXSHRJAHC-UHFFFAOYSA-N 0 3 270.380 2.432 20 30 CEEDHN C=C(C)CCN[C@](C)(CC(=O)OC)c1ccncc1 ZINC000595487492 345793907 /nfs/dbraw/zinc/79/39/07/345793907.db2.gz TWGWKKNGAHKLJP-OAHLLOKOSA-N 0 3 262.353 2.416 20 30 CEEDHN Cn1cc([C@H](NCCC(C)(C)C#N)C2(CO)CCC2)cn1 ZINC000595494849 345795731 /nfs/dbraw/zinc/79/57/31/345795731.db2.gz QVQBCQQBYQIXMJ-AWEZNQCLSA-N 0 3 290.411 2.153 20 30 CEEDHN N#Cc1ccc(CN(C2CC2)C2(CO)CCC2)cc1 ZINC000595533528 345804574 /nfs/dbraw/zinc/80/45/74/345804574.db2.gz KWWVHLSETWJQGY-UHFFFAOYSA-N 0 3 256.349 2.438 20 30 CEEDHN COc1cc(C#N)ccc1CN(C1CC1)C1(CO)CCC1 ZINC000595533143 345805094 /nfs/dbraw/zinc/80/50/94/345805094.db2.gz HMLXGCZRQCUYFL-UHFFFAOYSA-N 0 3 286.375 2.446 20 30 CEEDHN C=CC[C@@H]1CCCN(CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000595661378 345841310 /nfs/dbraw/zinc/84/13/10/345841310.db2.gz ZUASNSDSQWGLIS-LSDHHAIUSA-N 0 3 277.412 2.283 20 30 CEEDHN C=CCCSCCNC(=O)N(C)C[C@H]1CCCN1C ZINC000595720753 345859784 /nfs/dbraw/zinc/85/97/84/345859784.db2.gz OOYDNKNBIBKNKP-CYBMUJFWSA-N 0 3 285.457 2.031 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595728179 345860905 /nfs/dbraw/zinc/86/09/05/345860905.db2.gz LAKWKKLWEQTNPX-UHOFOFEASA-N 0 3 283.375 2.220 20 30 CEEDHN COc1ccc(CN(C)CC2=CCCOC2)cc1C#N ZINC000595747658 345864726 /nfs/dbraw/zinc/86/47/26/345864726.db2.gz PTYWGXKLQZQUNK-UHFFFAOYSA-N 0 3 272.348 2.345 20 30 CEEDHN N#CC[C@H]1CCCN(C[C@H](O)COc2ccccc2)C1 ZINC000595609212 345825611 /nfs/dbraw/zinc/82/56/11/345825611.db2.gz HXTFKIHAIFNLGC-CABCVRRESA-N 0 3 274.364 2.052 20 30 CEEDHN CO[C@@H](CNC(C)(C)c1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000595633791 345833510 /nfs/dbraw/zinc/83/35/10/345833510.db2.gz ZWVBJXJLXYIJLE-ZBFHGGJFSA-N 0 3 288.391 2.434 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000595647623 345837768 /nfs/dbraw/zinc/83/77/68/345837768.db2.gz DPLXQFXUFMHJNH-QLFBSQMISA-N 0 3 292.427 2.098 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC[C@](O)(C2CC2)C1 ZINC000595749762 345865728 /nfs/dbraw/zinc/86/57/28/345865728.db2.gz HLNKNUUTVBDXRO-QGZVFWFLSA-N 0 3 286.375 2.174 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@@H]2COC[C@]2(C)C1 ZINC000595761022 345869784 /nfs/dbraw/zinc/86/97/84/345869784.db2.gz WCOXZQQWNQPQDP-ZBFHGGJFSA-N 0 3 272.348 2.035 20 30 CEEDHN N#Cc1cccc(C2(NCCn3cccn3)CCOCC2)c1 ZINC000595769397 345872223 /nfs/dbraw/zinc/87/22/23/345872223.db2.gz RCKBGUARQSPINR-UHFFFAOYSA-N 0 3 296.374 2.050 20 30 CEEDHN N#CCC[C@H](C#N)CNC[C@H]1CCN1Cc1ccccc1 ZINC000596052153 345928164 /nfs/dbraw/zinc/92/81/64/345928164.db2.gz UFQUFDAWPIOIMX-IAGOWNOFSA-N 0 3 282.391 2.294 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@]1(C)CO ZINC000595861595 345900513 /nfs/dbraw/zinc/90/05/13/345900513.db2.gz WLPODGHQPQAKCN-MFKMUULPSA-N 0 3 250.367 2.070 20 30 CEEDHN C[C@H](CCO)C1(CNCc2cccc(C#N)n2)CCC1 ZINC000602583244 347088618 /nfs/dbraw/zinc/08/86/18/347088618.db2.gz VYWJYJRYCRWDAA-CYBMUJFWSA-N 0 3 273.380 2.232 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN(CCC1CC1)CC1CC1)C1CC1 ZINC000595872299 345903073 /nfs/dbraw/zinc/90/30/73/345903073.db2.gz UXEPZRWIXSDZMQ-KRWDZBQOSA-N 0 3 289.423 2.307 20 30 CEEDHN N#Cc1c(Cl)cccc1N1CC[C@@H](F)[C@H](N)C1 ZINC000596023005 345924568 /nfs/dbraw/zinc/92/45/68/345924568.db2.gz RNAYMQBNAJCTTK-GHMZBOCLSA-N 0 3 253.708 2.087 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1nc2ncccc2cc1C#N ZINC000596152756 345953232 /nfs/dbraw/zinc/95/32/32/345953232.db2.gz RDVMJFJQFGYGHX-DOMZBBRYSA-N 0 3 295.390 2.278 20 30 CEEDHN CCc1nc(C#N)cc(NC[C@@H](C)N2CCCC[C@@H]2C)n1 ZINC000596073682 345933405 /nfs/dbraw/zinc/93/34/05/345933405.db2.gz LOFOKELZIPFOIG-QWHCGFSZSA-N 0 3 287.411 2.007 20 30 CEEDHN C=CCSCCNC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000596214411 345971011 /nfs/dbraw/zinc/97/10/11/345971011.db2.gz CSIHAOUJHHGSJU-ZDUSSCGKSA-N 0 3 285.457 2.031 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1c(C#N)cnn1C ZINC000596220070 345973563 /nfs/dbraw/zinc/97/35/63/345973563.db2.gz VJWYUIJHWRAXCH-CJNGLKHVSA-N 0 3 295.390 2.224 20 30 CEEDHN CCCN(CCN1CCCCC1)c1cc(C#N)cnn1 ZINC000596231484 345975693 /nfs/dbraw/zinc/97/56/93/345975693.db2.gz JSDDTNQKOVTNAP-UHFFFAOYSA-N 0 3 273.384 2.051 20 30 CEEDHN CCN1CCCN(c2nc3ncccc3cc2C#N)[C@@H](C)C1 ZINC000596268629 345986463 /nfs/dbraw/zinc/98/64/63/345986463.db2.gz KUWMMEQQTFELIR-ZDUSSCGKSA-N 0 3 295.390 2.422 20 30 CEEDHN CCCN1CC[C@H](Nc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000596518497 346044473 /nfs/dbraw/zinc/04/44/73/346044473.db2.gz VBYAQQSLGXJXQH-LBPRGKRZSA-N 0 3 274.324 2.363 20 30 CEEDHN CC[C@H](CNC(=O)[C@@H](C)CC#N)N1CCc2ccccc2C1 ZINC000596779247 346089476 /nfs/dbraw/zinc/08/94/76/346089476.db2.gz VEDZDDODCKPTNU-WMLDXEAASA-N 0 3 299.418 2.489 20 30 CEEDHN CCCN1CC[C@H](NC(=O)Nc2ccc(F)cc2C#N)C1 ZINC000596786311 346089960 /nfs/dbraw/zinc/08/99/60/346089960.db2.gz ZZYRIFVIOZEHCE-ZDUSSCGKSA-N 0 3 290.342 2.303 20 30 CEEDHN CCN(C(=O)NCC1(C#N)CCCCC1)[C@@H]1CCN(C)C1 ZINC000596858991 346096615 /nfs/dbraw/zinc/09/66/15/346096615.db2.gz DJIIZCKPHRSHHV-CQSZACIVSA-N 0 3 292.427 2.196 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000596897506 346103556 /nfs/dbraw/zinc/10/35/56/346103556.db2.gz ZRWKKCURLSQFIN-IIAWOOMASA-N 0 3 285.391 2.488 20 30 CEEDHN CN1CCC[C@@H](CNC(=O)CC2(C#N)CCCCC2)C1 ZINC000597180572 346142782 /nfs/dbraw/zinc/14/27/82/346142782.db2.gz RILAPRVVSYKFJR-AWEZNQCLSA-N 0 3 277.412 2.309 20 30 CEEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)CC1(CO)CC1 ZINC000597110755 346128930 /nfs/dbraw/zinc/12/89/30/346128930.db2.gz LKPQPPYVQVAAGJ-UHFFFAOYSA-N 0 3 270.376 2.446 20 30 CEEDHN COc1cc(CN2C[C@@H](C)[C@](C)(CO)C2)ccc1C#N ZINC000597236532 346157992 /nfs/dbraw/zinc/15/79/92/346157992.db2.gz RROVLHVWZUVMTR-WBMJQRKESA-N 0 3 274.364 2.017 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000597655115 346211726 /nfs/dbraw/zinc/21/17/26/346211726.db2.gz ZYGKYHOLKLBIKA-YCPHGPKFSA-N 0 3 285.391 2.315 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cccc(CC#N)c1 ZINC000597859608 346239365 /nfs/dbraw/zinc/23/93/65/346239365.db2.gz WEXYFBDTSMUSOO-HNNXBMFYSA-N 0 3 285.391 2.355 20 30 CEEDHN CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](CC#N)C1 ZINC000597910787 346251067 /nfs/dbraw/zinc/25/10/67/346251067.db2.gz AWAZYKMTORJQCO-KBPBESRZSA-N 0 3 263.385 2.013 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)c2sccc2C#N)C1 ZINC000597925528 346254129 /nfs/dbraw/zinc/25/41/29/346254129.db2.gz WPMMZMRHVIQEER-NSHDSACASA-N 0 3 277.393 2.222 20 30 CEEDHN CC(C)(C)N1CC[C@@H](NC(=O)c2sccc2C#N)C1 ZINC000597925527 346254202 /nfs/dbraw/zinc/25/42/02/346254202.db2.gz WPMMZMRHVIQEER-LLVKDONJSA-N 0 3 277.393 2.222 20 30 CEEDHN CCN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)[C@H]1CCN(C)C1 ZINC000597945665 346256118 /nfs/dbraw/zinc/25/61/18/346256118.db2.gz IZNXODJZBICBGO-PBHICJAKSA-N 0 3 299.418 2.289 20 30 CEEDHN CCN(C(=O)[C@H](C#N)CCc1ccccc1)[C@@H]1CCN(C)C1 ZINC000597946969 346256180 /nfs/dbraw/zinc/25/61/80/346256180.db2.gz UIXBZGIIBPPNQP-DLBZAZTESA-N 0 3 299.418 2.312 20 30 CEEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)CCCC#N)C1 ZINC000598195865 346303191 /nfs/dbraw/zinc/30/31/91/346303191.db2.gz VDBKNFVMUUUWJN-KRWDZBQOSA-N 0 3 299.418 2.456 20 30 CEEDHN Cc1nnc(CN(C)C(=O)C(C#N)CCc2ccccc2)o1 ZINC000598097778 346289758 /nfs/dbraw/zinc/28/97/58/346289758.db2.gz OHSPZBAHUHZMKO-CQSZACIVSA-N 0 3 298.346 2.109 20 30 CEEDHN COc1cccc([C@@]2(C)CCN(C(=O)C(C)C#N)C2)c1 ZINC000598223204 346310034 /nfs/dbraw/zinc/31/00/34/346310034.db2.gz AWGIERWVYNQRCG-WBMJQRKESA-N 0 3 272.348 2.345 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)Cc1ccc(C#N)cc1 ZINC000598260327 346315410 /nfs/dbraw/zinc/31/54/10/346315410.db2.gz ASOHGWTWYHTCNQ-HNNXBMFYSA-N 0 3 299.418 2.337 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cccc(C#N)c1 ZINC000598261484 346316177 /nfs/dbraw/zinc/31/61/77/346316177.db2.gz FUKTZLCANLBTMC-AWEZNQCLSA-N 0 3 285.391 2.408 20 30 CEEDHN CCN(C(=O)[C@@H](C)N1CCCCCC1)[C@@H](C)C#N ZINC000598359866 346337925 /nfs/dbraw/zinc/33/79/25/346337925.db2.gz NKGPLELADMZUDI-QWHCGFSZSA-N 0 3 251.374 2.011 20 30 CEEDHN CC[C@@H]1CN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)C[C@H](C)N1 ZINC000598531835 346371800 /nfs/dbraw/zinc/37/18/00/346371800.db2.gz QKNPNGZIUZOWRN-JKIFEVAISA-N 0 3 299.418 2.336 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CCN1 ZINC000598571271 346376251 /nfs/dbraw/zinc/37/62/51/346376251.db2.gz ITHZXGAHWODVPK-CQSZACIVSA-N 0 3 291.782 2.282 20 30 CEEDHN COc1ccc2c(c1)CN(C[C@@H](O)CC(C)(C)C#N)CC2 ZINC000598587909 346378876 /nfs/dbraw/zinc/37/88/76/346378876.db2.gz VTHKARMDTVJDJF-HNNXBMFYSA-N 0 3 288.391 2.354 20 30 CEEDHN Cn1cc([C@@H](NC[C@@H](O)CC(C)(C)C#N)C(C)(C)C)cn1 ZINC000598601659 346381728 /nfs/dbraw/zinc/38/17/28/346381728.db2.gz LSCYFDHIRONQRF-UONOGXRCSA-N 0 3 292.427 2.398 20 30 CEEDHN CC(C)n1cc([C@H](C)NC[C@@H](O)CC(C)(C)C#N)cn1 ZINC000598605165 346382884 /nfs/dbraw/zinc/38/28/84/346382884.db2.gz AOTRNTPAGCNFJA-JSGCOSHPSA-N 0 3 278.400 2.415 20 30 CEEDHN C[C@@H](CN(C)C[C@@H](O)CC(C)(C)C#N)c1nccs1 ZINC000598612665 346383937 /nfs/dbraw/zinc/38/39/37/346383937.db2.gz QXHCAVZKUFLXTG-RYUDHWBXSA-N 0 3 281.425 2.479 20 30 CEEDHN Cc1n[nH]cc1C1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598612837 346383978 /nfs/dbraw/zinc/38/39/78/346383978.db2.gz BSQQJGOYXHOOGG-AWEZNQCLSA-N 0 3 290.411 2.198 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000598621288 346385917 /nfs/dbraw/zinc/38/59/17/346385917.db2.gz JGVJHRCXZBOQJC-HRCADAONSA-N 0 3 288.391 2.095 20 30 CEEDHN C[C@H]1CN(C[C@H](O)CC(C)(C)C#N)CC2(CCCC2)O1 ZINC000598626693 346388007 /nfs/dbraw/zinc/38/80/07/346388007.db2.gz ZKVVEBJGLVYVCF-UONOGXRCSA-N 0 3 280.412 2.321 20 30 CEEDHN COc1cc(CNC[C@H](O)CC(C)(C)C#N)ccc1C ZINC000598701412 346404005 /nfs/dbraw/zinc/40/40/05/346404005.db2.gz UVAUIPPHQAKZQN-CQSZACIVSA-N 0 3 276.380 2.394 20 30 CEEDHN COc1cc(C)ccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598726108 346409947 /nfs/dbraw/zinc/40/99/47/346409947.db2.gz RHEDXAFKPIQJIR-AWEZNQCLSA-N 0 3 276.380 2.394 20 30 CEEDHN Cc1ccc2nc(CNC[C@@H](O)CC(C)(C)C#N)cn2c1 ZINC000598720710 346407963 /nfs/dbraw/zinc/40/79/63/346407963.db2.gz PZXXQONFTRCQHD-AWEZNQCLSA-N 0 3 286.379 2.033 20 30 CEEDHN N#Cc1nc(N2CCc3nccc(N)c3C2)sc1Cl ZINC000598943068 346435945 /nfs/dbraw/zinc/43/59/45/346435945.db2.gz PKRQANFMVCPYKR-UHFFFAOYSA-N 0 3 291.767 2.208 20 30 CEEDHN C=CCOCCNCc1c(C)[nH]c(C(=O)OCC)c1C ZINC000598972634 346440019 /nfs/dbraw/zinc/44/00/19/346440019.db2.gz VFHDRQKAZXMXJS-UHFFFAOYSA-N 0 3 280.368 2.100 20 30 CEEDHN CCc1cnccc1[C@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC000599360984 346507220 /nfs/dbraw/zinc/50/72/20/346507220.db2.gz DEDKXRKPAXWJGU-GXTWGEPZSA-N 0 3 273.380 2.349 20 30 CEEDHN Cc1ccc(CN2CCC[C@@H](CCO)C2)cc1C#N ZINC000599284849 346490988 /nfs/dbraw/zinc/49/09/88/346490988.db2.gz FVPZOZXWOCISHS-AWEZNQCLSA-N 0 3 258.365 2.461 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cnc(C(=O)OC)cn1 ZINC000599470615 346525959 /nfs/dbraw/zinc/52/59/59/346525959.db2.gz UKVZLGAPUZDLPI-OCCSQVGLSA-N 0 3 289.379 2.488 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(N2CCOCC2)CC1 ZINC000599474384 346525965 /nfs/dbraw/zinc/52/59/65/346525965.db2.gz QGUVEZRCNIFBMI-HNNXBMFYSA-N 0 3 299.418 2.416 20 30 CEEDHN Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(C#N)cc2C)n1 ZINC000599682848 346564331 /nfs/dbraw/zinc/56/43/31/346564331.db2.gz LUGFUQOPQZQXCB-LSDHHAIUSA-N 0 3 298.346 2.178 20 30 CEEDHN C=CCCOCC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000599630736 346549053 /nfs/dbraw/zinc/54/90/53/346549053.db2.gz BVHGDSPCXVHPHY-OAHLLOKOSA-N 0 3 290.407 2.216 20 30 CEEDHN N#CC1(C[C@@H](O)CNCc2ccc(F)c(F)c2)CC1 ZINC000600716266 346677171 /nfs/dbraw/zinc/67/71/71/346677171.db2.gz DGTXLZUOHTWOHL-LLVKDONJSA-N 0 3 266.291 2.109 20 30 CEEDHN CCCN(CCN1CCCC1)Cc1nc(C#N)cs1 ZINC000356303313 370650337 /nfs/dbraw/zinc/65/03/37/370650337.db2.gz NXDVGRJNUPXHSK-UHFFFAOYSA-N 0 3 278.425 2.323 20 30 CEEDHN C=CCOc1ccc(CNCC[C@@H](C)[S@](C)=O)cc1 ZINC000129411542 365855710 /nfs/dbraw/zinc/85/57/10/365855710.db2.gz JPNQNMGXIMRKND-BFUOFWGJSA-N 0 3 281.421 2.498 20 30 CEEDHN CN(CCN1CCCCC1)c1cc(C#N)nc(C2CC2)n1 ZINC000601182645 346779989 /nfs/dbraw/zinc/77/99/89/346779989.db2.gz XAUPLNDRUWATRA-UHFFFAOYSA-N 0 3 285.395 2.148 20 30 CEEDHN C[C@@H](CN(C)C(=O)[C@@H](N)CCCC#N)C(C)(C)C ZINC000602626157 347109266 /nfs/dbraw/zinc/10/92/66/347109266.db2.gz QDOILKDOMHGVMS-RYUDHWBXSA-N 0 3 253.390 2.148 20 30 CEEDHN Cc1cccc(CCCNCc2cccc(C#N)n2)n1 ZINC000602649457 347122833 /nfs/dbraw/zinc/12/28/33/347122833.db2.gz IQIAXYKEQUCGFG-UHFFFAOYSA-N 0 3 266.348 2.379 20 30 CEEDHN CC(C#N)C(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC000335798702 539553989 /nfs/dbraw/zinc/55/39/89/539553989.db2.gz IZISNDZMIVZEMO-NSHDSACASA-N 0 3 290.388 2.298 20 30 CEEDHN C[C@@H](C[C@H]1CCCC(=O)N1)NCC1(C#N)CCCC1 ZINC000602697527 347153346 /nfs/dbraw/zinc/15/33/46/347153346.db2.gz AEKIHZXRTAJBQX-QWHCGFSZSA-N 0 3 263.385 2.107 20 30 CEEDHN CC(C)OC(=O)C[C@H](NCc1cccc(C#N)n1)C(C)C ZINC000602707145 347160927 /nfs/dbraw/zinc/16/09/27/347160927.db2.gz CXKQDYMWOAPDIE-HNNXBMFYSA-N 0 3 289.379 2.409 20 30 CEEDHN N#Cc1ccc(CCNCc2cc3c(cn2)OCCO3)cc1 ZINC000602707921 347162308 /nfs/dbraw/zinc/16/23/08/347162308.db2.gz WGBVFAKFQXQYBD-UHFFFAOYSA-N 0 3 295.342 2.057 20 30 CEEDHN COCCN(Cc1cccnc1)C[C@@H](C)CCC#N ZINC000602654327 347125972 /nfs/dbraw/zinc/12/59/72/347125972.db2.gz AESVTVRGJCPKEN-AWEZNQCLSA-N 0 3 261.369 2.470 20 30 CEEDHN COc1ccc(CNC[C@@H](C)CCC#N)c(OC)n1 ZINC000602667588 347132080 /nfs/dbraw/zinc/13/20/80/347132080.db2.gz PZNZCBVZQUEDEV-NSHDSACASA-N 0 3 263.341 2.128 20 30 CEEDHN COc1cc(CNC2CC(n3cccn3)C2)ccc1C#N ZINC000602666300 347132102 /nfs/dbraw/zinc/13/21/02/347132102.db2.gz GVJVBWGFVVCLIQ-UHFFFAOYSA-N 0 3 282.347 2.257 20 30 CEEDHN CCO[C@@]1(C)C[C@H]1N[C@@H](C)CC1(C#N)CCOCC1 ZINC000602722325 347170599 /nfs/dbraw/zinc/17/05/99/347170599.db2.gz BLIBBWOWTMZNGZ-MJBXVCDLSA-N 0 3 266.385 2.242 20 30 CEEDHN CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1cccc(C#N)n1 ZINC000602723769 347171312 /nfs/dbraw/zinc/17/13/12/347171312.db2.gz SUJXGQPEBBOBSV-ZBFHGGJFSA-N 0 3 287.363 2.165 20 30 CEEDHN CC1(C)CCC[C@](CO)(NCc2cccc(C#N)n2)C1 ZINC000602723105 347171316 /nfs/dbraw/zinc/17/13/16/347171316.db2.gz LWWBLYJIIWIKPV-INIZCTEOSA-N 0 3 273.380 2.374 20 30 CEEDHN N#Cc1cc(F)cc(NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000602726837 347173066 /nfs/dbraw/zinc/17/30/66/347173066.db2.gz ZVBHYPMFCRCKFH-INIZCTEOSA-N 0 3 289.354 2.363 20 30 CEEDHN COC(=O)[C@@]1(C)CN(Cc2ccc(C#N)s2)C[C@@H]1C ZINC000602728721 347174252 /nfs/dbraw/zinc/17/42/52/347174252.db2.gz GMSIDQPMMVFFES-HZMBPMFUSA-N 0 3 278.377 2.251 20 30 CEEDHN Cn1ncc(Br)c1CNC1CCC(C#N)CC1 ZINC000602735228 347178161 /nfs/dbraw/zinc/17/81/61/347178161.db2.gz ULBZQODQTUAVNJ-UHFFFAOYSA-N 0 3 297.200 2.355 20 30 CEEDHN CCN(C#N)CCNC1(c2ccc(C#N)cc2)CCC1 ZINC000602873545 347233600 /nfs/dbraw/zinc/23/36/00/347233600.db2.gz KTRSKPOUGWEDPC-UHFFFAOYSA-N 0 3 268.364 2.330 20 30 CEEDHN COC(=O)[C@@H]1CCN(CC2(CC#N)CC2)[C@@H]2CCC[C@@H]21 ZINC000602913784 347245257 /nfs/dbraw/zinc/24/52/57/347245257.db2.gz AFCRDYDOJWRZGG-MGPQQGTHSA-N 0 3 276.380 2.344 20 30 CEEDHN C=C(C)CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962727 347258512 /nfs/dbraw/zinc/25/85/12/347258512.db2.gz OBYRCJYLSRSOQE-AWEZNQCLSA-N 0 3 264.325 2.358 20 30 CEEDHN CCN(CCNC(=O)Nc1cc(F)cc(C#N)c1)C1CC1 ZINC000603074400 347282320 /nfs/dbraw/zinc/28/23/20/347282320.db2.gz HDSLCGLLRCVBCY-UHFFFAOYSA-N 0 3 290.342 2.303 20 30 CEEDHN CN1CCC[C@@H](CNC(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000603079762 347282879 /nfs/dbraw/zinc/28/28/79/347282879.db2.gz XNODXUXFVLPYDF-NSHDSACASA-N 0 3 290.342 2.161 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N1CCCN(c2ccncc2)CC1 ZINC000603084529 347284065 /nfs/dbraw/zinc/28/40/65/347284065.db2.gz RYEUYSTUICNMRT-MRXNPFEDSA-N 0 3 286.379 2.060 20 30 CEEDHN CCN1CCCN(c2c(C#N)cnn2-c2ccccc2)CC1 ZINC000603294734 347330207 /nfs/dbraw/zinc/33/02/07/347330207.db2.gz HQDWKUOBTPOBCB-UHFFFAOYSA-N 0 3 295.390 2.276 20 30 CEEDHN CC(C)(C)[C@@H](N)c1cn(CCOc2cccc(C#N)c2)nn1 ZINC000603208011 347309190 /nfs/dbraw/zinc/30/91/90/347309190.db2.gz HLPITDOEXBXIPE-HNNXBMFYSA-N 0 3 299.378 2.275 20 30 CEEDHN CC[C@@](C)(N)c1cn([C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000603229472 347316893 /nfs/dbraw/zinc/31/68/93/347316893.db2.gz YGNDWRIUMFOBRW-XHDPSFHLSA-N 0 3 269.352 2.343 20 30 CEEDHN COc1ccc(C#N)cc1Cn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000603232868 347317894 /nfs/dbraw/zinc/31/78/94/347317894.db2.gz HGPWIPUHAQZXDI-OAHLLOKOSA-N 0 3 299.378 2.253 20 30 CEEDHN C[C@@H](N(C)CC(=O)N(CCC#N)CCC#N)C(C)(C)C ZINC000604323257 347410454 /nfs/dbraw/zinc/41/04/54/347410454.db2.gz GXTMIGLEIAFHBN-CYBMUJFWSA-N 0 3 278.400 2.009 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC[C@H](n2ccnc2)C1 ZINC000609157422 347629274 /nfs/dbraw/zinc/62/92/74/347629274.db2.gz MKVUOMOPMQLCON-INIZCTEOSA-N 0 3 296.374 2.471 20 30 CEEDHN N#Cc1ccc(CCC(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000609382456 347637693 /nfs/dbraw/zinc/63/76/93/347637693.db2.gz BHZLNQYTUFHJBZ-KRWDZBQOSA-N 0 3 297.402 2.091 20 30 CEEDHN CC(C)[C@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)N(C)C ZINC000610364887 347676178 /nfs/dbraw/zinc/67/61/78/347676178.db2.gz WFXWCWIXSQLZQL-SWLSCSKDSA-N 0 3 273.380 2.322 20 30 CEEDHN C[C@@H](c1ccccc1)[C@H](CO)NCc1ccc(C#N)o1 ZINC000610270997 347667691 /nfs/dbraw/zinc/66/76/91/347667691.db2.gz ZHCZLAVZGJGFGY-LRDDRELGSA-N 0 3 270.332 2.405 20 30 CEEDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(C#N)c1 ZINC000611386583 347771846 /nfs/dbraw/zinc/77/18/46/347771846.db2.gz OKRDIURWSIOQJU-NSHDSACASA-N 0 3 285.307 2.014 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000610905503 347721492 /nfs/dbraw/zinc/72/14/92/347721492.db2.gz AQDFRQJEEQQKMT-HNNXBMFYSA-N 0 3 298.390 2.473 20 30 CEEDHN C[C@@H](O)CN(Cc1ccnc(C#N)c1)C1CCCCC1 ZINC000610992456 347729173 /nfs/dbraw/zinc/72/91/73/347729173.db2.gz HCVHTWNLPXMXFQ-CYBMUJFWSA-N 0 3 273.380 2.469 20 30 CEEDHN Cc1cnc(N(CCN(C)C)Cc2ccc(C#N)cc2)nc1 ZINC000611144359 347744226 /nfs/dbraw/zinc/74/42/26/347744226.db2.gz IHCSZMCCRRZPJQ-UHFFFAOYSA-N 0 3 295.390 2.225 20 30 CEEDHN CC[C@@H](C(=O)N[C@@H](C#N)CC(C)C)N(CC)CC ZINC000611250653 347758359 /nfs/dbraw/zinc/75/83/59/347758359.db2.gz LQQRHZDHQXLRAQ-OLZOCXBDSA-N 0 3 253.390 2.161 20 30 CEEDHN CCN(Cc1cc(C#N)cs1)C[C@H]1CCOC1 ZINC000611256628 347759293 /nfs/dbraw/zinc/75/92/93/347759293.db2.gz KKUVUEBQNJGVPM-LLVKDONJSA-N 0 3 250.367 2.478 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)N1CCC(C)(C#N)CC1 ZINC000611563335 347794904 /nfs/dbraw/zinc/79/49/04/347794904.db2.gz SXRQCMOQHZGMRO-AWEZNQCLSA-N 0 3 292.427 2.196 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612124581 347847775 /nfs/dbraw/zinc/84/77/75/347847775.db2.gz BCLPQIZQFGBNNQ-ZBFHGGJFSA-N 0 3 292.427 2.196 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC[C@H]1CC(C)C ZINC000130217758 365934516 /nfs/dbraw/zinc/93/45/16/365934516.db2.gz LIORZENTGLKCAR-AWEZNQCLSA-N 0 3 265.401 2.259 20 30 CEEDHN N#Cc1cc(CN2CC[C@@H](Cc3ccncc3)C2)ccn1 ZINC000613180105 347989346 /nfs/dbraw/zinc/98/93/46/347989346.db2.gz IOGHNWBELNWJIH-INIZCTEOSA-N 0 3 278.359 2.413 20 30 CEEDHN N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(CC3CC3)C2)c1 ZINC000613422843 348043584 /nfs/dbraw/zinc/04/35/84/348043584.db2.gz DOHMAHXBCKZYAS-ZDUSSCGKSA-N 0 3 286.335 2.363 20 30 CEEDHN C[C@@H]1CN(CCCOc2cccc(C#N)c2)[C@@H](C)CN1C ZINC000351925653 219250074 /nfs/dbraw/zinc/25/00/74/219250074.db2.gz FFHGOIAVRMXSFD-CABCVRRESA-N 0 3 287.407 2.352 20 30 CEEDHN CC(C)(C#N)c1ccc(CN2CC[C@@](C)(O)C2)cc1 ZINC000614169732 348153643 /nfs/dbraw/zinc/15/36/43/348153643.db2.gz PAMUMCWXHGKPEV-MRXNPFEDSA-N 0 3 258.365 2.444 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@H](C)N(C)C[C@H]1C ZINC000351944134 219258172 /nfs/dbraw/zinc/25/81/72/219258172.db2.gz JRVPDHVJYDGMTN-QWHCGFSZSA-N 0 3 273.380 2.091 20 30 CEEDHN C[C@@H](NCCCOc1cccc(C#N)c1)c1cnn(C)c1 ZINC000273393637 192137570 /nfs/dbraw/zinc/13/75/70/192137570.db2.gz PHYTVJCAPKUEQT-CYBMUJFWSA-N 0 3 284.363 2.411 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000617779216 348789379 /nfs/dbraw/zinc/78/93/79/348789379.db2.gz XGCZNYAYIBDGOW-KGLIPLIRSA-N 0 3 250.386 2.143 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000618982268 349084171 /nfs/dbraw/zinc/08/41/71/349084171.db2.gz AJJRKCRUBYHFEU-ZDUSSCGKSA-N 0 3 252.402 2.435 20 30 CEEDHN CC#CCCCC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000618984973 349085795 /nfs/dbraw/zinc/08/57/95/349085795.db2.gz BAUDSFKHCQUJTP-HNNXBMFYSA-N 0 3 264.413 2.417 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000619544292 349196215 /nfs/dbraw/zinc/19/62/15/349196215.db2.gz DKMCVKARBKFMFH-ZIAGYGMSSA-N 0 3 296.374 2.435 20 30 CEEDHN N#Cc1ccc(CN2CCC(CCC(N)=O)CC2)s1 ZINC000271213107 191005974 /nfs/dbraw/zinc/00/59/74/191005974.db2.gz VIUDFKYVIYZLMK-UHFFFAOYSA-N 0 3 277.393 2.097 20 30 CEEDHN CC[C@@H](C)N1CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000130455826 365959023 /nfs/dbraw/zinc/95/90/23/365959023.db2.gz WKELZHNBCLGRGA-CQSZACIVSA-N 0 3 287.407 2.483 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)NCCN(C)CCCC)C1 ZINC000623723518 350093308 /nfs/dbraw/zinc/09/33/08/350093308.db2.gz TUCZGZSYKAJZII-AWEZNQCLSA-N 0 3 267.417 2.326 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000623734782 350096875 /nfs/dbraw/zinc/09/68/75/350096875.db2.gz DDCSIHRPJOHHJD-BFHYXJOUSA-N 0 3 277.412 2.219 20 30 CEEDHN C=C(C)[C@@H](CO)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000681168021 539756928 /nfs/dbraw/zinc/75/69/28/539756928.db2.gz AWBRTUIZBRQSRQ-CVEARBPZSA-N 0 3 259.349 2.055 20 30 CEEDHN N#Cc1c(Cl)cccc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091670472 180224081 /nfs/dbraw/zinc/22/40/81/180224081.db2.gz STZZHZWUDVDSAX-VXGBXAGGSA-N 0 3 291.782 2.487 20 30 CEEDHN CC[C@H](C)CN(C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625158467 350418494 /nfs/dbraw/zinc/41/84/94/350418494.db2.gz BXZFHSKPVRAWMX-AWEZNQCLSA-N 0 3 298.386 2.264 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cc(CCC)n[nH]2)CC1 ZINC000106037279 186099815 /nfs/dbraw/zinc/09/98/15/186099815.db2.gz UENBHDLDCALMNP-UHFFFAOYSA-N 0 3 290.411 2.133 20 30 CEEDHN C#CCCOc1ccc(CN(CC)CCC(=O)OC)cc1 ZINC000092380150 180371379 /nfs/dbraw/zinc/37/13/79/180371379.db2.gz DSDKSTADXDTYPW-UHFFFAOYSA-N 0 3 289.375 2.474 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCC(C)(C)C ZINC000625557384 350526795 /nfs/dbraw/zinc/52/67/95/350526795.db2.gz HNBJJVRFIPWINP-BETUJISGSA-N 0 3 250.386 2.332 20 30 CEEDHN COCC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000069704105 362993490 /nfs/dbraw/zinc/99/34/90/362993490.db2.gz QIWAFQIPTQBYPI-UHFFFAOYSA-N 0 3 274.364 2.295 20 30 CEEDHN C=CCOc1ccc(CN(C)[C@H]2CCC(=O)N(C)C2)cc1 ZINC000628368012 351081852 /nfs/dbraw/zinc/08/18/52/351081852.db2.gz GSDDIPHBCZSKPH-HNNXBMFYSA-N 0 3 288.391 2.304 20 30 CEEDHN C=CCN1CC[C@@H](N2CC[C@H](C)C3(CCC3)C2)C1=O ZINC000337170780 366049667 /nfs/dbraw/zinc/04/96/67/366049667.db2.gz DERSPFKTVRJZNO-UONOGXRCSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCN1CC[C@H](N[C@H](C)c2ccc(OC)cc2)C1=O ZINC000337196375 366067849 /nfs/dbraw/zinc/06/78/49/366067849.db2.gz XKEIGVKOHSWZSZ-DOMZBBRYSA-N 0 3 274.364 2.133 20 30 CEEDHN N#CC1(CCCN2CCOCC3(CC3)C2)CCOCC1 ZINC000337208443 366078274 /nfs/dbraw/zinc/07/82/74/366078274.db2.gz QQDWXNZKIKAACS-UHFFFAOYSA-N 0 3 278.396 2.199 20 30 CEEDHN C[C@@H](NCCN1CCOC[C@@H]1C)c1ccc(C#N)cc1F ZINC000337212464 366081079 /nfs/dbraw/zinc/08/10/79/366081079.db2.gz VNVNFAPLCLAEBO-QWHCGFSZSA-N 0 3 291.370 2.069 20 30 CEEDHN C=C1CC(C)(C(=O)NCCN2CCC(C)CC2)C1 ZINC000630741262 351839351 /nfs/dbraw/zinc/83/93/51/351839351.db2.gz SEABJRALRCRWFQ-UHFFFAOYSA-N 0 3 250.386 2.191 20 30 CEEDHN CC(C)N(CCOc1ccccc1C#N)[C@H]1CCOC1 ZINC000291760411 198083217 /nfs/dbraw/zinc/08/32/17/198083217.db2.gz LCYROQOBZWEVCL-HNNXBMFYSA-N 0 3 274.364 2.436 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)CCc2ccc(C#N)cc2)CCN1C ZINC000123615779 187101157 /nfs/dbraw/zinc/10/11/57/187101157.db2.gz HOIBVXKPPYUBFD-RHSMWYFYSA-N 0 3 299.418 2.432 20 30 CEEDHN C=CCCCCCNCc1cn(C[C@@H]2CCOC2)nn1 ZINC000631169325 351998143 /nfs/dbraw/zinc/99/81/43/351998143.db2.gz QZEJJJMKSIXGGW-AWEZNQCLSA-N 0 3 278.400 2.151 20 30 CEEDHN C=CCN(CCC(=O)NC(=O)Nc1ccccc1)C1CC1 ZINC000271455875 191148693 /nfs/dbraw/zinc/14/86/93/191148693.db2.gz OWMRMLXKJNDVKS-UHFFFAOYSA-N 0 3 287.363 2.375 20 30 CEEDHN Cc1nc(N(C)[C@H]2CCN(C)[C@@H](C)C2)ccc1C#N ZINC000292003520 198132124 /nfs/dbraw/zinc/13/21/24/198132124.db2.gz RMDMEVLBBOOGCO-FZMZJTMJSA-N 0 3 258.369 2.181 20 30 CEEDHN COC[C@H](C)N1CCCN(c2ccccc2C#N)CC1 ZINC000072577791 363147802 /nfs/dbraw/zinc/14/78/02/363147802.db2.gz UIKHCOARLJNNHR-AWEZNQCLSA-N 0 3 273.380 2.105 20 30 CEEDHN COC[C@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000072558785 363145942 /nfs/dbraw/zinc/14/59/42/363145942.db2.gz ZDZUFZQNBGYWBM-HNNXBMFYSA-N 0 3 287.407 2.101 20 30 CEEDHN C=CCN(C[C@H](O)COc1ccccc1F)C1CC1 ZINC000271493306 191173433 /nfs/dbraw/zinc/17/34/33/191173433.db2.gz UUPBJDUZEXZIQS-ZDUSSCGKSA-N 0 3 265.328 2.216 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](COCC)C1 ZINC000072977394 363188256 /nfs/dbraw/zinc/18/82/56/363188256.db2.gz HSMCIRVCIDMARS-HOTGVXAUSA-N 0 3 294.439 2.324 20 30 CEEDHN COCC(C)(C)N(C)CCOc1cccc(C#N)c1 ZINC000292088314 198158464 /nfs/dbraw/zinc/15/84/64/198158464.db2.gz GMAOOXDXERGTML-UHFFFAOYSA-N 0 3 262.353 2.294 20 30 CEEDHN CC(C)C(=O)NCCN(C)[C@H](C)c1ccc(C#N)cc1 ZINC000157553705 188325099 /nfs/dbraw/zinc/32/50/99/188325099.db2.gz FJVYXFJFTNCICM-CYBMUJFWSA-N 0 3 273.380 2.323 20 30 CEEDHN C=CCC[C@H](O)CN(C)CCc1ncc(C)s1 ZINC000157726666 188335874 /nfs/dbraw/zinc/33/58/74/188335874.db2.gz ZEBYMZCNMFZLFE-LBPRGKRZSA-N 0 3 254.399 2.253 20 30 CEEDHN CN(CCc1nccs1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000157834365 188341223 /nfs/dbraw/zinc/34/12/23/188341223.db2.gz JDBLNYJXNGPEMN-CQSZACIVSA-N 0 3 287.388 2.223 20 30 CEEDHN C=CCCN(CCC(=O)OCC)Cc1cccnc1 ZINC000157998434 188351772 /nfs/dbraw/zinc/35/17/72/188351772.db2.gz DTHQRSPSZVGNEG-UHFFFAOYSA-N 0 3 262.353 2.413 20 30 CEEDHN CCOCCN(CC)CCOc1ccc(C#N)cc1OC ZINC000158038025 188354835 /nfs/dbraw/zinc/35/48/35/188354835.db2.gz UHUBGDOYNRYMFP-UHFFFAOYSA-N 0 3 292.379 2.304 20 30 CEEDHN C#CC[C@H](NCCC(=O)NC(C)C)c1ccccc1 ZINC000271702044 191282904 /nfs/dbraw/zinc/28/29/04/191282904.db2.gz MRCLOMGZFSAZKQ-HNNXBMFYSA-N 0 3 258.365 2.255 20 30 CEEDHN C[C@H](NC(=O)C1CCN(C)CC1)c1cccc(C#N)c1 ZINC000074218133 363310885 /nfs/dbraw/zinc/31/08/85/363310885.db2.gz IDNBRBPGMMQBGT-LBPRGKRZSA-N 0 3 271.364 2.077 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@H]1CC(C)(C)OC1(C)C ZINC000132568557 366153748 /nfs/dbraw/zinc/15/37/48/366153748.db2.gz WOIMHXUEPHYYHB-ZDUSSCGKSA-N 0 3 280.412 2.123 20 30 CEEDHN CN(C)CCNc1ccc(Br)cc1C#N ZINC000132718378 366166640 /nfs/dbraw/zinc/16/66/40/366166640.db2.gz NRHBBPVKFACLEB-UHFFFAOYSA-N 0 3 268.158 2.294 20 30 CEEDHN C=CCn1c(C2CC2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000337819307 366175953 /nfs/dbraw/zinc/17/59/53/366175953.db2.gz QRTHYSSFTKWLSI-AWEZNQCLSA-N 0 3 289.427 2.118 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000338136067 366207809 /nfs/dbraw/zinc/20/78/09/366207809.db2.gz ZIZGBEGOOZRUJZ-FZMZJTMJSA-N 0 3 283.375 2.222 20 30 CEEDHN CC[C@H]1C[C@H](C)CN1CC(=O)NC1(C#N)CCCCC1 ZINC000075022758 363434754 /nfs/dbraw/zinc/43/47/54/363434754.db2.gz JINVWMHQARLBEQ-KBPBESRZSA-N 0 3 277.412 2.449 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000133648609 366243881 /nfs/dbraw/zinc/24/38/81/366243881.db2.gz YZWHZKFUEATXHO-WBVHZDCISA-N 0 3 297.402 2.423 20 30 CEEDHN C[C@H](CNC(=O)C1(C#N)CCCCC1)N(C)C1CC1 ZINC000075572502 363475993 /nfs/dbraw/zinc/47/59/93/363475993.db2.gz ZCQAOOVBUKLGHF-GFCCVEGCSA-N 0 3 263.385 2.059 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000246005570 283188567 /nfs/dbraw/zinc/18/85/67/283188567.db2.gz KHVUOYMMGRBHGH-NVXWUHKLSA-N 0 3 296.374 2.194 20 30 CEEDHN N#Cc1csc(CNCCC(=O)N2CCCCC2)c1 ZINC000134853506 366366116 /nfs/dbraw/zinc/36/61/16/366366116.db2.gz KLWLISSVNSIBBH-UHFFFAOYSA-N 0 3 277.393 2.112 20 30 CEEDHN CC(C)CN1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000219507519 538818575 /nfs/dbraw/zinc/81/85/75/538818575.db2.gz NZTDLKZAOYXNJV-UHFFFAOYSA-N 0 3 275.371 2.471 20 30 CEEDHN C=CCCCCNCc1cn(Cc2cccnc2)nn1 ZINC000274604688 192677835 /nfs/dbraw/zinc/67/78/35/192677835.db2.gz RHAZPWHRLPKBRE-UHFFFAOYSA-N 0 3 271.368 2.167 20 30 CEEDHN CCCN(CCN1CCCCCC1)C(=O)CSCC#N ZINC000345367766 283252984 /nfs/dbraw/zinc/25/29/84/283252984.db2.gz WDDOHDYEXTXEOP-UHFFFAOYSA-N 0 3 297.468 2.358 20 30 CEEDHN COc1ccc(NC(=O)[C@@H](N)CCCC#N)c2cccnc12 ZINC000577875162 366412314 /nfs/dbraw/zinc/41/23/14/366412314.db2.gz QMGLTBLJZHJWOO-LBPRGKRZSA-N 0 3 298.346 2.203 20 30 CEEDHN Cc1ccc(C)c(OC[C@@H](O)CNCC2(CC#N)CC2)c1 ZINC000578127525 366447617 /nfs/dbraw/zinc/44/76/17/366447617.db2.gz BLXSTARDSSUMQZ-HNNXBMFYSA-N 0 3 288.391 2.327 20 30 CEEDHN CC#CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000135594263 366457170 /nfs/dbraw/zinc/45/71/70/366457170.db2.gz QURNLKIYTURDNF-NVXWUHKLSA-N 0 3 299.418 2.362 20 30 CEEDHN CN1CCC[C@@]2(CCN(C(=O)Cc3cccc(C#N)c3)C2)C1 ZINC000578352435 366481955 /nfs/dbraw/zinc/48/19/55/366481955.db2.gz BFIKGNUDGSXNFF-GOSISDBHSA-N 0 3 297.402 2.045 20 30 CEEDHN C[C@H](NCC1([S@@](C)=O)CC1)c1ccc(C#N)cc1 ZINC000282460402 299284639 /nfs/dbraw/zinc/28/46/39/299284639.db2.gz VOIKARYPJQTHMW-BBATYDOGSA-N 0 3 262.378 2.120 20 30 CEEDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc(C#N)c[nH]1 ZINC000177777205 189068950 /nfs/dbraw/zinc/06/89/50/189068950.db2.gz ATOIMGCFCYBIND-UHFFFAOYSA-N 0 3 296.374 2.090 20 30 CEEDHN CO[C@@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000178315712 189105786 /nfs/dbraw/zinc/10/57/86/189105786.db2.gz APEPWQXYATZVKF-MRXNPFEDSA-N 0 3 274.364 2.438 20 30 CEEDHN C=CC[C@H](C)NC(=O)N[C@@H](CC)CN1CCCC1 ZINC000675196516 540815688 /nfs/dbraw/zinc/81/56/88/540815688.db2.gz BOLMBYARKKZNKO-STQMWFEESA-N 0 3 253.390 2.125 20 30 CEEDHN Cn1cc(CN[C@@H]2CCCOC2)c(-c2ccc(C#N)cc2)n1 ZINC000180177192 189241119 /nfs/dbraw/zinc/24/11/19/189241119.db2.gz YNSLDHUWYZPTNH-MRXNPFEDSA-N 0 3 296.374 2.227 20 30 CEEDHN C=CCC[C@@H](NCC(=O)NC(=O)NCC)c1ccccc1 ZINC000180044902 189234275 /nfs/dbraw/zinc/23/42/75/189234275.db2.gz SACAIHFENIASKM-CQSZACIVSA-N 0 3 289.379 2.129 20 30 CEEDHN C#CCCCCC(=O)NC1CCN(CC(=C)C)CC1 ZINC000180064798 189235625 /nfs/dbraw/zinc/23/56/25/189235625.db2.gz WPENYPYFFBBAMV-UHFFFAOYSA-N 0 3 262.397 2.337 20 30 CEEDHN C=CCCCCCN(C)CC[C@H]1CCS(=O)(=O)C1 ZINC000677686837 541034133 /nfs/dbraw/zinc/03/41/33/541034133.db2.gz JCJLRNZUHQMWPS-AWEZNQCLSA-N 0 3 273.442 2.489 20 30 CEEDHN Cc1c([C@@H](C)NCCOc2ccc(C#N)cc2)cnn1C ZINC000180919562 189284063 /nfs/dbraw/zinc/28/40/63/189284063.db2.gz KPWXNZZMBFDFLT-GFCCVEGCSA-N 0 3 284.363 2.330 20 30 CEEDHN COCC#CCN1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000677817698 541046631 /nfs/dbraw/zinc/04/66/31/541046631.db2.gz POUGVZSYZYYHES-OAHLLOKOSA-N 0 3 261.340 2.340 20 30 CEEDHN COCC#CCN1CC[C@H](COCc2ccccc2)C1 ZINC000677819904 541046973 /nfs/dbraw/zinc/04/69/73/541046973.db2.gz CZVGYFCYKIKYAW-KRWDZBQOSA-N 0 3 273.376 2.175 20 30 CEEDHN C=CCOc1ccccc1CN[C@H](C)[C@H](CO)SC ZINC000152470143 366698844 /nfs/dbraw/zinc/69/88/44/366698844.db2.gz SOONCEQLASSMIK-DOMZBBRYSA-N 0 3 281.421 2.453 20 30 CEEDHN CN(C)CCN(c1ccc(C#N)cn1)C1CCCC1 ZINC000339967876 366732719 /nfs/dbraw/zinc/73/27/19/366732719.db2.gz MUIWPOZFDMALFO-UHFFFAOYSA-N 0 3 258.369 2.264 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CC(=O)NCc1cccc(C#N)c1 ZINC000342339089 216315690 /nfs/dbraw/zinc/31/56/90/216315690.db2.gz NKADIUMJRSAWRM-ZIAGYGMSSA-N 0 3 285.391 2.437 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCN(c3ncccc3F)C2)c1 ZINC000153950835 366746568 /nfs/dbraw/zinc/74/65/68/366746568.db2.gz SWJOKYMRHGHXCH-OAHLLOKOSA-N 0 3 296.349 2.461 20 30 CEEDHN Cc1cc(N2CCN3CCC[C@@H]3C2)c(C#N)cc1[N+](=O)[O-] ZINC000580167082 366759379 /nfs/dbraw/zinc/75/93/79/366759379.db2.gz NJERKJQIQQYWQE-CYBMUJFWSA-N 0 3 286.335 2.059 20 30 CEEDHN Cc1ccccc1OC[C@@H](O)CN[C@@H]1CC[C@H](C#N)C1 ZINC000580185456 366763069 /nfs/dbraw/zinc/76/30/69/366763069.db2.gz JBSADRWCPRGTEQ-ZNMIVQPWSA-N 0 3 274.364 2.017 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000580190538 366763775 /nfs/dbraw/zinc/76/37/75/366763775.db2.gz YNGUMJBSAZQXMB-IRXDYDNUSA-N 0 3 297.402 2.439 20 30 CEEDHN C#CCN(Cc1ccc(C(N)=O)cc1)C1CCCC1 ZINC000155915135 366824474 /nfs/dbraw/zinc/82/44/74/366824474.db2.gz FHDWGSZTROXTPF-UHFFFAOYSA-N 0 3 256.349 2.163 20 30 CEEDHN CN1CC[C@@H](Nc2ccc(C#N)nn2)[C@@H]1c1ccccc1 ZINC000301914597 201260842 /nfs/dbraw/zinc/26/08/42/201260842.db2.gz DAPUWNRHWOZOIX-ZBFHGGJFSA-N 0 3 279.347 2.206 20 30 CEEDHN COCC#CCN[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000678732217 541167777 /nfs/dbraw/zinc/16/77/77/541167777.db2.gz ILNNCDTURLYBDX-QGZVFWFLSA-N 0 3 289.375 2.394 20 30 CEEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000678759248 541169869 /nfs/dbraw/zinc/16/98/69/541169869.db2.gz PIPKHZPDJGMIDX-STQMWFEESA-N 0 3 294.420 2.047 20 30 CEEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000678773086 541171013 /nfs/dbraw/zinc/17/10/13/541171013.db2.gz GFIZRFWGAJYEQP-ZFWWWQNUSA-N 0 3 271.364 2.460 20 30 CEEDHN COCC#CCN[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000678775324 541171792 /nfs/dbraw/zinc/17/17/92/541171792.db2.gz XDBPHNJZKVEELR-CVEARBPZSA-N 0 3 259.349 2.004 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000678893935 541189155 /nfs/dbraw/zinc/18/91/55/541189155.db2.gz SBHAMSASMHOWKO-ZDUSSCGKSA-N 0 3 293.415 2.311 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C)[C@@H](F)C2)CC1 ZINC000679291925 541245044 /nfs/dbraw/zinc/24/50/44/541245044.db2.gz CDBIVXKGRICJOI-ZFWWWQNUSA-N 0 3 297.418 2.416 20 30 CEEDHN CC[C@@H](C)N1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000087833369 363871912 /nfs/dbraw/zinc/87/19/12/363871912.db2.gz CEPXQLFVUINSSE-CQSZACIVSA-N 0 3 287.407 2.483 20 30 CEEDHN COc1ccc(CN2CCCC[C@@H]2CCO)cc1C#N ZINC000087832762 363872052 /nfs/dbraw/zinc/87/20/52/363872052.db2.gz LMDOWJJGVZQFFA-OAHLLOKOSA-N 0 3 274.364 2.304 20 30 CEEDHN COCCN(Cc1ccc(OC)c(C#N)c1)C1CC1 ZINC000087833260 363872641 /nfs/dbraw/zinc/87/26/41/363872641.db2.gz RUJHIJAJANNTDY-UHFFFAOYSA-N 0 3 260.337 2.178 20 30 CEEDHN C#CCOc1ccc(CN2CCC(n3cncn3)CC2)cc1 ZINC000092647962 364093418 /nfs/dbraw/zinc/09/34/18/364093418.db2.gz OQQFEXMRKDZYIO-UHFFFAOYSA-N 0 3 296.374 2.127 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)c2cc(C#N)ccc2Cl)CCN1C ZINC000335707013 364861948 /nfs/dbraw/zinc/86/19/48/364861948.db2.gz CZLXCUGPOBNSFP-CMPLNLGQSA-N 0 3 291.782 2.424 20 30 CEEDHN C=CC1CCN(Cc2cccc(C(=O)NC)c2)CC1 ZINC000113933224 364917952 /nfs/dbraw/zinc/91/79/52/364917952.db2.gz SAOOEBXQPKCYEP-UHFFFAOYSA-N 0 3 258.365 2.444 20 30 CEEDHN C=CCN(CCc1ccccc1)C[C@H](O)COCC ZINC000113501206 364899316 /nfs/dbraw/zinc/89/93/16/364899316.db2.gz JWQSUVKIKPSBLD-INIZCTEOSA-N 0 3 263.381 2.115 20 30 CEEDHN CNC(=O)NC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000335756106 364936582 /nfs/dbraw/zinc/93/65/82/364936582.db2.gz LZNSWOYDIUVJND-GFCCVEGCSA-N 0 3 286.379 2.013 20 30 CEEDHN C=CC[C@@H](CO)NCc1c[nH]nc1-c1cccc(OC)c1 ZINC000680484973 541418432 /nfs/dbraw/zinc/41/84/32/541418432.db2.gz SQWPONWETYYRAA-AWEZNQCLSA-N 0 3 287.363 2.112 20 30 CEEDHN C=CC[C@@H](CO)NCc1c[nH]nc1-c1cccc(C)c1 ZINC000680485265 541418559 /nfs/dbraw/zinc/41/85/59/541418559.db2.gz XGOSCIMONZQJHW-HNNXBMFYSA-N 0 3 271.364 2.412 20 30 CEEDHN CN1CCC[C@H](CNc2ncc(C#N)cc2Cl)C1 ZINC000114709845 364959510 /nfs/dbraw/zinc/95/95/10/364959510.db2.gz YEYDYKVITUXDPV-SNVBAGLBSA-N 0 3 264.760 2.360 20 30 CEEDHN CCCN(CC(=O)N(CC)C[C@H](C)C#N)CC1CC1 ZINC000114724204 364961379 /nfs/dbraw/zinc/96/13/79/364961379.db2.gz RKVJAICHGVFCEI-CYBMUJFWSA-N 0 3 265.401 2.117 20 30 CEEDHN C#CCN(CCCOC)CCc1ccc(OC)cc1 ZINC000115558760 365013152 /nfs/dbraw/zinc/01/31/52/365013152.db2.gz ZVMGNKDNBGSICO-UHFFFAOYSA-N 0 3 261.365 2.209 20 30 CEEDHN C=CC[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000117036964 365088898 /nfs/dbraw/zinc/08/88/98/365088898.db2.gz NQPRFNYCPDRTLF-ZBFHGGJFSA-N 0 3 289.423 2.423 20 30 CEEDHN CC(=O)NC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118395317 365154560 /nfs/dbraw/zinc/15/45/60/365154560.db2.gz WDRSQJFKHBDWGH-GFCCVEGCSA-N 0 3 271.364 2.220 20 30 CEEDHN CN1CC[C@@]2(CCN(C(=O)C3(C#N)CCCCC3)C2)C1 ZINC000335918215 365159599 /nfs/dbraw/zinc/15/95/99/365159599.db2.gz MVFCSIWPSYKSHF-OAHLLOKOSA-N 0 3 275.396 2.015 20 30 CEEDHN C=C(C)CN1CCC(CN2CCCCC2=O)CC1 ZINC000118851933 365185446 /nfs/dbraw/zinc/18/54/46/365185446.db2.gz DEJMNWIXPBGYRG-UHFFFAOYSA-N 0 3 250.386 2.287 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)C[C@H]1CSCCN1 ZINC000638875482 370814175 /nfs/dbraw/zinc/81/41/75/370814175.db2.gz VCSVEGJXNMLZFF-LBPRGKRZSA-N 0 3 270.442 2.190 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000119416150 365270388 /nfs/dbraw/zinc/27/03/88/365270388.db2.gz NSFUIKSEZILHLA-INIZCTEOSA-N 0 3 281.363 2.062 20 30 CEEDHN CC1(C)CN(CCOc2cccc(C#N)c2)CC[C@@H]1O ZINC000275520671 193065554 /nfs/dbraw/zinc/06/55/54/193065554.db2.gz VCZKTEBSBVXKJB-HNNXBMFYSA-N 0 3 274.364 2.030 20 30 CEEDHN CS[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1N(C)C ZINC000336038500 365323784 /nfs/dbraw/zinc/32/37/84/365323784.db2.gz XISAUSNWWKYYPA-UONOGXRCSA-N 0 3 279.384 2.179 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)C#N ZINC000119995334 365357466 /nfs/dbraw/zinc/35/74/66/365357466.db2.gz SOQGJQBVADKWSH-ZFWWWQNUSA-N 0 3 285.391 2.173 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(CC)[C@@H](C)C(C)C ZINC000120267242 365399559 /nfs/dbraw/zinc/39/95/59/365399559.db2.gz JDXQDMJGJDJUFC-KBPBESRZSA-N 0 3 267.417 2.361 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)CC1CCN(C)CC1 ZINC000120583986 365446164 /nfs/dbraw/zinc/44/61/64/365446164.db2.gz PIRVWWVZIRIKCB-UHFFFAOYSA-N 0 3 285.391 2.281 20 30 CEEDHN CN(CC#Cc1ccc(F)cc1)[C@H]1CC[C@H](O)CC1 ZINC000275817237 193136332 /nfs/dbraw/zinc/13/63/32/193136332.db2.gz IXHVPGOYBREBFJ-WKILWMFISA-N 0 3 261.340 2.413 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC[C@H]1C[C@@H](C)O ZINC000159228971 366890796 /nfs/dbraw/zinc/89/07/96/366890796.db2.gz TZBCOKPONDVSSJ-DOMZBBRYSA-N 0 3 274.364 2.302 20 30 CEEDHN CC[C@@H](Cn1cncn1)N[C@H](C)c1ccc(C#N)cc1 ZINC000340462379 366891807 /nfs/dbraw/zinc/89/18/07/366891807.db2.gz MMGMWQSVWOZUTI-DOMZBBRYSA-N 0 3 269.352 2.279 20 30 CEEDHN CC[C@H](Cn1cncn1)NC1(c2cccc(C#N)c2)CC1 ZINC000340537054 366927644 /nfs/dbraw/zinc/92/76/44/366927644.db2.gz KWAAVEZRYSIEDB-OAHLLOKOSA-N 0 3 281.363 2.207 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)NCCN1CCCCCC1 ZINC000161285292 367074487 /nfs/dbraw/zinc/07/44/87/367074487.db2.gz RXYDTZWVISSNLB-UHFFFAOYSA-N 0 3 285.391 2.473 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)C(C)C#N)N2CCCC2)o1 ZINC000357887820 370833854 /nfs/dbraw/zinc/83/38/54/370833854.db2.gz CVIPPCAMLCUIAV-YPMHNXCESA-N 0 3 275.352 2.001 20 30 CEEDHN Cc1[nH]c2ccccc2c1CCNC(=O)C(C)C#N ZINC000357826554 370831036 /nfs/dbraw/zinc/83/10/36/370831036.db2.gz LZUIGOVQDRDHFB-SNVBAGLBSA-N 0 3 255.321 2.295 20 30 CEEDHN CC(C)(CCC#N)CNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000588361284 367192598 /nfs/dbraw/zinc/19/25/98/367192598.db2.gz PQQSLWWADOZSCU-CQSZACIVSA-N 0 3 292.427 2.100 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CCCCCC#N ZINC000588459420 367193004 /nfs/dbraw/zinc/19/30/04/367193004.db2.gz KHNXHJAGSSFTAU-KBPBESRZSA-N 0 3 265.401 2.259 20 30 CEEDHN CC(C)(C)n1cc(CNCC(C)(C)CCC#N)nn1 ZINC000342291388 367399867 /nfs/dbraw/zinc/39/98/67/367399867.db2.gz FCXGDCMXRWXIIR-UHFFFAOYSA-N 0 3 263.389 2.453 20 30 CEEDHN CN(C)[C@@H](CNC(=O)NCCCCC#N)c1ccccc1 ZINC000170887072 367440929 /nfs/dbraw/zinc/44/09/29/367440929.db2.gz XUKOSFXULBBTGC-HNNXBMFYSA-N 0 3 288.395 2.282 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCCc2ccccc2C1 ZINC000171592584 367572888 /nfs/dbraw/zinc/57/28/88/367572888.db2.gz ZPBSJURBKUWGFQ-CYBMUJFWSA-N 0 3 258.365 2.126 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2Cc3ccccc32)CC1 ZINC000171721890 367602981 /nfs/dbraw/zinc/60/29/81/367602981.db2.gz PDZQMEKWNDXYNT-HNNXBMFYSA-N 0 3 299.418 2.276 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cnc(C)s2)CC1 ZINC000171728102 367603649 /nfs/dbraw/zinc/60/36/49/367603649.db2.gz ZHNWCGPAVPAIIW-UHFFFAOYSA-N 0 3 279.409 2.222 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2nc(C)cs2)CC1 ZINC000171679996 367591029 /nfs/dbraw/zinc/59/10/29/367591029.db2.gz PSUWBQAYOQEYQK-UHFFFAOYSA-N 0 3 280.397 2.223 20 30 CEEDHN Cc1nn(C)c(C)c1CCNCc1ccc(C#N)cc1F ZINC000343075225 367659801 /nfs/dbraw/zinc/65/98/01/367659801.db2.gz ZEILFYPDSLZJEI-UHFFFAOYSA-N 0 3 286.354 2.380 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000343344040 367763358 /nfs/dbraw/zinc/76/33/58/367763358.db2.gz PCAOJKOLGXKRGP-OSMZGAPFSA-N 0 3 276.311 2.179 20 30 CEEDHN N#Cc1ccccc1N1CCCN(CCOCC2CC2)CC1 ZINC000172752780 367811584 /nfs/dbraw/zinc/81/15/84/367811584.db2.gz HUAZJOUMOYZFSD-UHFFFAOYSA-N 0 3 299.418 2.497 20 30 CEEDHN CCn1ccnc1[C@@H]1OCC[C@H]1NCc1cccc(C#N)c1 ZINC000343381644 367781834 /nfs/dbraw/zinc/78/18/34/367781834.db2.gz DHPXQAZMZUCCJV-HZPDHXFCSA-N 0 3 296.374 2.394 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343419314 367803428 /nfs/dbraw/zinc/80/34/28/367803428.db2.gz PWIYCWRDQNVBKD-DOMZBBRYSA-N 0 3 271.364 2.079 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CCCN1C ZINC000343441181 367817828 /nfs/dbraw/zinc/81/78/28/367817828.db2.gz CBHKTJYLPIIWOL-CZUORRHYSA-N 0 3 297.402 2.189 20 30 CEEDHN C=CCC(CC=C)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000343604674 367910977 /nfs/dbraw/zinc/91/09/77/367910977.db2.gz BBBJLAKUWOYPSY-OAHLLOKOSA-N 0 3 262.397 2.307 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CCN(C)CC[C@H]1C ZINC000343612849 367916999 /nfs/dbraw/zinc/91/69/99/367916999.db2.gz HYSDVTVELSNNAP-CYBMUJFWSA-N 0 3 250.386 2.307 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000343619750 367920806 /nfs/dbraw/zinc/92/08/06/367920806.db2.gz ZLQBFNZHJZMXAR-GXTWGEPZSA-N 0 3 250.386 2.354 20 30 CEEDHN CCN(CC(C)C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000343622043 367922990 /nfs/dbraw/zinc/92/29/90/367922990.db2.gz KSWLOAGCRHOIJC-ZFWWWQNUSA-N 0 3 267.417 2.407 20 30 CEEDHN CO[C@]1(C)C[C@H](NCc2cnc3ccc(C#N)cn23)C1(C)C ZINC000174132854 367987362 /nfs/dbraw/zinc/98/73/62/367987362.db2.gz PVYLBVHZRJMMOK-WMLDXEAASA-N 0 3 298.390 2.499 20 30 CEEDHN COc1ccc(CNCC[S@](=O)C(C)(C)C)cc1C#N ZINC000174403984 368019227 /nfs/dbraw/zinc/01/92/27/368019227.db2.gz LXGFEKKOLQLMIT-FQEVSTJZSA-N 0 3 294.420 2.204 20 30 CEEDHN CCOC[C@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000176326230 368225334 /nfs/dbraw/zinc/22/53/34/368225334.db2.gz GPAWTWYRQSJPMZ-AWEZNQCLSA-N 0 3 274.364 2.295 20 30 CEEDHN C=CCN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176205676 368211771 /nfs/dbraw/zinc/21/17/71/368211771.db2.gz UMKOJKZYOXTBJJ-UHFFFAOYSA-N 0 3 286.335 2.480 20 30 CEEDHN N#Cc1csc(CNCCNC(=O)c2ccccc2)c1 ZINC000177691817 368278698 /nfs/dbraw/zinc/27/86/98/368278698.db2.gz QJIPCONPSUDUJA-UHFFFAOYSA-N 0 3 285.372 2.139 20 30 CEEDHN N#Cc1csc(CNCc2ccc(-n3cncn3)cc2)c1 ZINC000177696475 368280013 /nfs/dbraw/zinc/28/00/13/368280013.db2.gz ZWYIEKHYRULJIX-UHFFFAOYSA-N 0 3 295.371 2.490 20 30 CEEDHN CCNC(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000180514548 368384892 /nfs/dbraw/zinc/38/48/92/368384892.db2.gz GVARGNPONWJQPE-MRVPVSSYSA-N 0 3 278.262 2.175 20 30 CEEDHN C#CCSCCN[C@H](C)c1cnc2cc(C)nn2c1C ZINC000181100723 368421641 /nfs/dbraw/zinc/42/16/41/368421641.db2.gz DZCQRCJDRZCFRT-GFCCVEGCSA-N 0 3 288.420 2.363 20 30 CEEDHN Cc1cnn(CCN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000182008774 368514647 /nfs/dbraw/zinc/51/46/47/368514647.db2.gz HZWNBUMKPCCABN-AWEZNQCLSA-N 0 3 284.363 2.445 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](CC)[C@H]1CCCO1 ZINC000182362355 368557629 /nfs/dbraw/zinc/55/76/29/368557629.db2.gz DJRRWFHNLJJGIN-RRFJBIMHSA-N 0 3 280.412 2.123 20 30 CEEDHN CCOC(=O)C[C@@H](C)N(C)CCOc1ccc(C#N)cc1 ZINC000182619929 368572185 /nfs/dbraw/zinc/57/21/85/368572185.db2.gz RNPBCSKSTRSCOM-CYBMUJFWSA-N 0 3 290.363 2.211 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000346174587 368577509 /nfs/dbraw/zinc/57/75/09/368577509.db2.gz UROWTWLFGJJLHG-UONOGXRCSA-N 0 3 257.381 2.473 20 30 CEEDHN C=CC[C@@H](C)N[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000183329228 368623155 /nfs/dbraw/zinc/62/31/55/368623155.db2.gz RMQYDLBESRDGHA-CHWSQXEVSA-N 0 3 267.394 2.403 20 30 CEEDHN C[C@H](C#N)CNC1CCN(CCC(F)(F)F)CC1 ZINC000183830510 368653131 /nfs/dbraw/zinc/65/31/31/368653131.db2.gz AFQYXTZONHCHIA-SNVBAGLBSA-N 0 3 263.307 2.152 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000346376089 368655871 /nfs/dbraw/zinc/65/58/71/368655871.db2.gz CPZAVKRVYKXUEP-WDMOLILDSA-N 0 3 276.311 2.274 20 30 CEEDHN CC#CCCCC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000185241684 368775192 /nfs/dbraw/zinc/77/51/92/368775192.db2.gz YCYHXQNBPNQMQD-KRWDZBQOSA-N 0 3 286.419 2.469 20 30 CEEDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1NCCC(C)(C)C#N ZINC000347257904 368803711 /nfs/dbraw/zinc/80/37/11/368803711.db2.gz XIZYWSDDPYWAHS-HIFRSBDPSA-N 0 3 290.411 2.396 20 30 CEEDHN CS(=O)(=O)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185801117 368863670 /nfs/dbraw/zinc/86/36/70/368863670.db2.gz PNBJTTQEJDHQFH-ZIAGYGMSSA-N 0 3 292.404 2.262 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NCc2cccnc2-n2cccn2)C1 ZINC000185819557 368867614 /nfs/dbraw/zinc/86/76/14/368867614.db2.gz BNUSVSPIYUTDEL-UKRRQHHQSA-N 0 3 281.363 2.439 20 30 CEEDHN C=CCOCCCN1CC[C@H](Oc2ccccn2)C1 ZINC000348049102 368873894 /nfs/dbraw/zinc/87/38/94/368873894.db2.gz INMBHTHKBYOHAX-AWEZNQCLSA-N 0 3 262.353 2.127 20 30 CEEDHN C=CCNC(=O)[C@@H](C)NC(C)(C)c1cccs1 ZINC000348328364 369006131 /nfs/dbraw/zinc/00/61/31/369006131.db2.gz WCBYKTRELMGOOO-SNVBAGLBSA-N 0 3 252.383 2.264 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1nc2ccccc2n1C ZINC000186683896 369018511 /nfs/dbraw/zinc/01/85/11/369018511.db2.gz RAQNVLOJINBVLT-NWDGAFQWSA-N 0 3 259.353 2.161 20 30 CEEDHN C=CC[C@H](CO)N[C@@H]1CCCc2nc(C)sc21 ZINC000186719846 369027552 /nfs/dbraw/zinc/02/75/52/369027552.db2.gz MJFSPVNESSHPAX-ZYHUDNBSSA-N 0 3 252.383 2.356 20 30 CEEDHN CN(CCC#N)C(=O)CCNC(C)(C)c1cccs1 ZINC000348302828 368992584 /nfs/dbraw/zinc/99/25/84/368992584.db2.gz BFPBDCWWFPUNOU-UHFFFAOYSA-N 0 3 279.409 2.335 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NCC(C)(C)N1CCCCC1 ZINC000348535183 369076034 /nfs/dbraw/zinc/07/60/34/369076034.db2.gz QESGKYQOBYSJPT-OAHLLOKOSA-N 0 3 265.401 2.307 20 30 CEEDHN CC[C@@]1(CO)CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000187540221 369175639 /nfs/dbraw/zinc/17/56/39/369175639.db2.gz MFKRDQCBTIKCIF-QGZVFWFLSA-N 0 3 288.391 2.422 20 30 CEEDHN CC(C)C(=O)NCCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000187716758 369210105 /nfs/dbraw/zinc/21/01/05/369210105.db2.gz KHRYPHCQVZZJIR-CYBMUJFWSA-N 0 3 273.380 2.323 20 30 CEEDHN CN(C)C[C@H](NCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000189578380 369542036 /nfs/dbraw/zinc/54/20/36/369542036.db2.gz FBMWROICGHBHHQ-KRWDZBQOSA-N 0 3 282.391 2.289 20 30 CEEDHN N#Cc1cccc(C2(NC[C@H](O)CC(F)(F)F)CC2)c1 ZINC000276309943 193281893 /nfs/dbraw/zinc/28/18/93/193281893.db2.gz YJXFVGNDZZZBHU-GFCCVEGCSA-N 0 3 284.281 2.450 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000637322181 369899970 /nfs/dbraw/zinc/89/99/70/369899970.db2.gz RUFREOCMGBVHNB-KGLIPLIRSA-N 0 3 279.428 2.467 20 30 CEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NCc1nc(C#N)cs1 ZINC000352856481 369916362 /nfs/dbraw/zinc/91/63/62/369916362.db2.gz XBZUMZICWLQKOH-JHJVBQTASA-N 0 3 292.452 2.471 20 30 CEEDHN CS(=O)(=O)C1(CNCc2cc(C#N)cs2)CCCC1 ZINC000353103296 370018578 /nfs/dbraw/zinc/01/85/78/370018578.db2.gz RIUSLCWMVLZPAZ-UHFFFAOYSA-N 0 3 298.433 2.067 20 30 CEEDHN CC(C)(C)[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(C#N)cc1 ZINC000353118093 370025164 /nfs/dbraw/zinc/02/51/64/370025164.db2.gz KWOYYQNASJCHEB-GOEBONIOSA-N 0 3 285.391 2.341 20 30 CEEDHN COCCN(CCSC)Cc1ccc(C#N)cc1 ZINC000194548164 370050095 /nfs/dbraw/zinc/05/00/95/370050095.db2.gz AUMPJYXTNUIOLX-UHFFFAOYSA-N 0 3 264.394 2.370 20 30 CEEDHN C=CCOc1ccc(CN2CCC(OCCO)CC2)cc1 ZINC000354026145 370184963 /nfs/dbraw/zinc/18/49/63/370184963.db2.gz OIVVCDPRSUJRLS-UHFFFAOYSA-N 0 3 291.391 2.225 20 30 CEEDHN C=CCCOCCNCc1cc(OC)c(OC)c(OC)c1 ZINC000229879464 370433105 /nfs/dbraw/zinc/43/31/05/370433105.db2.gz ZOJPDCXKTGBKEX-UHFFFAOYSA-N 0 3 295.379 2.395 20 30 CEEDHN COC[C@@H](NCc1ccc(C#N)c(OC)c1)C(C)C ZINC000234720049 370540574 /nfs/dbraw/zinc/54/05/74/370540574.db2.gz TUFCBYQXWCFIMT-CQSZACIVSA-N 0 3 262.353 2.327 20 30 CEEDHN CC#CCCNC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000355189371 370541951 /nfs/dbraw/zinc/54/19/51/370541951.db2.gz UWGKWGVLDPILRK-KBPBESRZSA-N 0 3 291.395 2.421 20 30 CEEDHN C=CCCCC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000246747485 371004885 /nfs/dbraw/zinc/00/48/85/371004885.db2.gz PLZRCQAXIWZWDJ-UONOGXRCSA-N 0 3 250.386 2.285 20 30 CEEDHN N#Cc1cccc(CN2CCS[C@H]3COCC[C@H]32)c1 ZINC000247352601 371098025 /nfs/dbraw/zinc/09/80/25/371098025.db2.gz YFVMOKHTVHFUNW-CABCVRRESA-N 0 3 274.389 2.265 20 30 CEEDHN CC[C@H](C)CN(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000247484990 371114873 /nfs/dbraw/zinc/11/48/73/371114873.db2.gz GEKDELYFZGKYPX-GXTWGEPZSA-N 0 3 253.390 2.019 20 30 CEEDHN C[C@@H](NC[C@]1(CCO)CCOC1)c1ccc(C#N)cc1F ZINC000358559943 371117171 /nfs/dbraw/zinc/11/71/71/371117171.db2.gz DYWHVGLHINWONL-WBMJQRKESA-N 0 3 292.354 2.137 20 30 CEEDHN N#Cc1ccc(C(=O)NCCN2CCCCCC2)s1 ZINC000331602518 204005251 /nfs/dbraw/zinc/00/52/51/204005251.db2.gz ZFUVIAHDPAESKU-UHFFFAOYSA-N 0 3 277.393 2.226 20 30 CEEDHN C=CC1CCN(C(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000358800010 371227014 /nfs/dbraw/zinc/22/70/14/371227014.db2.gz DCKMZSPPJJVMCY-OAHLLOKOSA-N 0 3 276.355 2.293 20 30 CEEDHN C#CCCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000248662811 371233195 /nfs/dbraw/zinc/23/31/95/371233195.db2.gz JHFXGARWXMTUDK-DOTOQJQBSA-N 0 3 284.403 2.427 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000248826314 371251287 /nfs/dbraw/zinc/25/12/87/371251287.db2.gz GIDZEGVJNIRNPV-QLFBSQMISA-N 0 3 283.375 2.464 20 30 CEEDHN C#CCCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248897472 371267720 /nfs/dbraw/zinc/26/77/20/371267720.db2.gz UASZSKUHYDHSLZ-NVXWUHKLSA-N 0 3 299.418 2.220 20 30 CEEDHN O[C@@H]1[C@H]2C[C@H]3CN(CC#Cc4cccc(Cl)c4)[C@H]1[C@H]3C2 ZINC000249401901 371319222 /nfs/dbraw/zinc/31/92/22/371319222.db2.gz CFNXCJJHHAAMAA-XPYWIHLFSA-N 0 3 287.790 2.393 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H]1CCc2ncnn21 ZINC000639455991 371335376 /nfs/dbraw/zinc/33/53/76/371335376.db2.gz BBZOVRKBVMNQNH-OAHLLOKOSA-N 0 3 298.390 2.462 20 30 CEEDHN CN(Cc1ccc(C#N)cc1F)[C@@H]1CCCC[C@H]1O ZINC000252933962 371489929 /nfs/dbraw/zinc/48/99/29/371489929.db2.gz WDHKIJPXFAGDCL-HUUCEWRRSA-N 0 3 262.328 2.433 20 30 CEEDHN C=C(CC)CN(CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639773737 371559636 /nfs/dbraw/zinc/55/96/36/371559636.db2.gz FUMDVVJDIQAUIL-OAHLLOKOSA-N 0 3 284.469 2.092 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C\c2cncc(C)c2)CC1 ZINC000255358162 371579337 /nfs/dbraw/zinc/57/93/37/371579337.db2.gz PQQMDIDRPWPLPJ-PLNGDYQASA-N 0 3 285.391 2.170 20 30 CEEDHN CN(C)CCOc1cccc(NC(=O)c2ccc(C#N)[nH]2)c1 ZINC000337376562 214038054 /nfs/dbraw/zinc/03/80/54/214038054.db2.gz VQOPDQGYHKJAAO-UHFFFAOYSA-N 0 3 298.346 2.079 20 30 CEEDHN C=C(C)CCN1CCN(Cc2ccc(O)cc2)CC1 ZINC000640110137 371820444 /nfs/dbraw/zinc/82/04/44/371820444.db2.gz BADBZNRUWMEEAS-UHFFFAOYSA-N 0 3 260.381 2.476 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@](C)(OC)CC1 ZINC000361420796 371838293 /nfs/dbraw/zinc/83/82/93/371838293.db2.gz COQCFJWOAYHITN-WBVHZDCISA-N 0 3 294.439 2.467 20 30 CEEDHN C[C@@H](O)C1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000264736989 372003144 /nfs/dbraw/zinc/00/31/44/372003144.db2.gz RCAIKYAKUAWKEU-CYBMUJFWSA-N 0 3 274.364 2.182 20 30 CEEDHN C[C@](CO)(CNCc1ccc(C#N)o1)Cc1ccccc1 ZINC000361737703 372047631 /nfs/dbraw/zinc/04/76/31/372047631.db2.gz ZPSSONFRNZIFPK-QGZVFWFLSA-N 0 3 284.359 2.482 20 30 CEEDHN C=CCOc1ccc(CN2CCCN(C)CC2)cc1OC ZINC000269341706 372425599 /nfs/dbraw/zinc/42/55/99/372425599.db2.gz GOSSJWMGBIQLJY-UHFFFAOYSA-N 0 3 290.407 2.398 20 30 CEEDHN C[C@@H](O)C[C@@H](C)CNCc1ccc(C#N)cc1F ZINC000269414223 372443321 /nfs/dbraw/zinc/44/33/21/372443321.db2.gz JYYOMSJMOYMMQF-GHMZBOCLSA-N 0 3 250.317 2.194 20 30 CEEDHN C[C@H](Cn1cccn1)NCC#Cc1ccc(F)cc1 ZINC000269489738 372465445 /nfs/dbraw/zinc/46/54/45/372465445.db2.gz RWUJLCNXDCIMFF-CYBMUJFWSA-N 0 3 257.312 2.052 20 30 CEEDHN N#Cc1cccc(C2(NCC3=CCCOC3)CC2)c1 ZINC000269614800 372505879 /nfs/dbraw/zinc/50/58/79/372505879.db2.gz NPWMOTDDBHVYDL-UHFFFAOYSA-N 0 3 254.333 2.484 20 30 CEEDHN CC(=O)NC[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000362927761 372576665 /nfs/dbraw/zinc/57/66/65/372576665.db2.gz LDLOCABCVZSTHR-MRXNPFEDSA-N 0 3 285.391 2.215 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNCc1ccncc1N)C(C)C ZINC000641707922 372643462 /nfs/dbraw/zinc/64/34/62/372643462.db2.gz SGXGBANKUVKLGE-KRWDZBQOSA-N 0 3 288.439 2.452 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cc2cc(OC)ccc2o1 ZINC000641767416 372705580 /nfs/dbraw/zinc/70/55/80/372705580.db2.gz KNANPIOLPHNDKF-ZDUSSCGKSA-N 0 3 273.332 2.305 20 30 CEEDHN CC#CC[C@H](CO)NC/C=C\c1ccc(F)c(F)c1 ZINC000641767928 372708248 /nfs/dbraw/zinc/70/82/48/372708248.db2.gz SHWJGLAMYXHWKF-DSYXLKISSA-N 0 3 265.303 2.342 20 30 CEEDHN CC#CC[C@H](CO)NCc1cc(Cl)c(OC)c(OC)c1 ZINC000641768602 372709301 /nfs/dbraw/zinc/70/93/01/372709301.db2.gz DDJHIRXTVIJJJI-GFCCVEGCSA-N 0 3 297.782 2.221 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc(Br)cc1 ZINC000641769043 372709318 /nfs/dbraw/zinc/70/93/18/372709318.db2.gz OOUGOQXVGFTAGI-ZDUSSCGKSA-N 0 3 282.181 2.313 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cccc(Br)c1 ZINC000641769018 372709669 /nfs/dbraw/zinc/70/96/69/372709669.db2.gz NWSJBKOOPIVGRA-ZDUSSCGKSA-N 0 3 282.181 2.313 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc(OC)c(OCCC)c1 ZINC000641769740 372711802 /nfs/dbraw/zinc/71/18/02/372711802.db2.gz ZNFAIMRJKKXEBL-OAHLLOKOSA-N 0 3 291.391 2.348 20 30 CEEDHN N#Cc1ccc(CNCCCOC[C@@H]2CCOC2)c(F)c1 ZINC000344555646 217231361 /nfs/dbraw/zinc/23/13/61/217231361.db2.gz RRXYUEAQGKYBBQ-AWEZNQCLSA-N 0 3 292.354 2.230 20 30 CEEDHN C#CC[C@@H](NC(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC000270411377 372777361 /nfs/dbraw/zinc/77/73/61/372777361.db2.gz LJVRBSOPUMLAOW-JKSUJKDBSA-N 0 3 285.391 2.144 20 30 CEEDHN C#CC[C@H](NC(=O)C1CCN(C)CC1)c1ccccc1 ZINC000270430959 372786647 /nfs/dbraw/zinc/78/66/47/372786647.db2.gz IBTCYQRCEABIEN-INIZCTEOSA-N 0 3 270.376 2.209 20 30 CEEDHN N#Cc1ccc(CNC2(CO)Cc3ccccc3C2)cc1F ZINC000365265035 372813813 /nfs/dbraw/zinc/81/38/13/372813813.db2.gz IAYCGPZOCFABIL-UHFFFAOYSA-N 0 3 296.345 2.317 20 30 CEEDHN COC(=O)[C@H]1CCN(CCC(C)(C)C#N)C[C@@H]1C ZINC000347235499 284365053 /nfs/dbraw/zinc/36/50/53/284365053.db2.gz RVHDCFSWHOZLND-RYUDHWBXSA-N 0 3 252.358 2.057 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(C)Cc1cccc(C#N)c1 ZINC000344758970 217301846 /nfs/dbraw/zinc/30/18/46/217301846.db2.gz ZUHJEAPQSQBDHN-OKILXGFUSA-N 0 3 285.391 2.389 20 30 CEEDHN CO[C@@H](CCNCc1ccc(C#N)o1)C(F)(F)F ZINC000344806343 217317935 /nfs/dbraw/zinc/31/79/35/217317935.db2.gz FONJSDFJQWHXGH-JTQLQIEISA-N 0 3 262.231 2.208 20 30 CEEDHN C#CCCCN1CCN(Cc2ccccc2OC)CC1 ZINC000271006120 373060974 /nfs/dbraw/zinc/06/09/74/373060974.db2.gz HAFXJZUVGJUSSM-UHFFFAOYSA-N 0 3 272.392 2.226 20 30 CEEDHN C=CCN1CCC(N[C@H](C)c2cscn2)CC1 ZINC000271024224 373074476 /nfs/dbraw/zinc/07/44/76/373074476.db2.gz AZDPMJFPISOSHD-LLVKDONJSA-N 0 3 251.399 2.444 20 30 CEEDHN COCC#CCN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000643380685 373100936 /nfs/dbraw/zinc/10/09/36/373100936.db2.gz PVIDLGLWSUUCCR-ARFHVFGLSA-N 0 3 265.397 2.042 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@H](OC)C2)cc1OC ZINC000271163761 373152842 /nfs/dbraw/zinc/15/28/42/373152842.db2.gz FHRWLEPGCYNWNJ-AWEZNQCLSA-N 0 3 277.364 2.481 20 30 CEEDHN C#CCCOc1ccc(CN(CC)CCCO)cc1 ZINC000271190467 373172234 /nfs/dbraw/zinc/17/22/34/373172234.db2.gz LIBAZXZJFXRRSN-UHFFFAOYSA-N 0 3 261.365 2.293 20 30 CEEDHN C#CCOc1ccccc1CN1CC[C@H](COC)C1 ZINC000271189285 373172515 /nfs/dbraw/zinc/17/25/15/373172515.db2.gz OYVTYZYOZDCVOP-AWEZNQCLSA-N 0 3 259.349 2.167 20 30 CEEDHN C#Cc1ccc(CN2CCCN(c3cccnn3)CC2)cc1 ZINC000367321813 373147411 /nfs/dbraw/zinc/14/74/11/373147411.db2.gz KJKDAQHXLHLEKV-UHFFFAOYSA-N 0 3 292.386 2.170 20 30 CEEDHN CC(C)[C@H](O)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271930978 373223862 /nfs/dbraw/zinc/22/38/62/373223862.db2.gz IIZAEUYIANJYNT-QMTHXVAHSA-N 0 3 250.317 2.365 20 30 CEEDHN C=CCCCCNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000368812918 373264665 /nfs/dbraw/zinc/26/46/65/373264665.db2.gz AMRCBKAJEQEQAA-LSDHHAIUSA-N 0 3 279.428 2.468 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(C#N)c3)[C@@H]2C1 ZINC000272271695 373398649 /nfs/dbraw/zinc/39/86/49/373398649.db2.gz CKUZXLBZTMSQNH-UKRRQHHQSA-N 0 3 284.363 2.116 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H](c1ccccc1)C1CC1 ZINC000272824631 373669296 /nfs/dbraw/zinc/66/92/96/373669296.db2.gz GOAMXHYRGQKAKQ-OAHLLOKOSA-N 0 3 279.405 2.328 20 30 CEEDHN C[C@@H]1CCCN(CCNc2nc3ccccn3c2C#N)C1 ZINC000272945371 373727045 /nfs/dbraw/zinc/72/70/45/373727045.db2.gz WLEGJTHYWZGHSM-CYBMUJFWSA-N 0 3 283.379 2.350 20 30 CEEDHN C#CCN(CCC(=O)Nc1cccc(OC)c1)C1CC1 ZINC000274123520 373818342 /nfs/dbraw/zinc/81/83/42/373818342.db2.gz HDBJCEUAGZMTHP-UHFFFAOYSA-N 0 3 272.348 2.121 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCCN(c3ccncn3)C2)s1 ZINC000371882969 373998960 /nfs/dbraw/zinc/99/89/60/373998960.db2.gz GBKNCRNDEJFLIE-LBPRGKRZSA-N 0 3 299.403 2.168 20 30 CEEDHN C#C[C@H](C)NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000274716288 374023533 /nfs/dbraw/zinc/02/35/33/374023533.db2.gz CJQNAYHZIKJGGT-ZDUSSCGKSA-N 0 3 256.349 2.034 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](c2ccc(C)cc2)C1 ZINC000371745779 373965897 /nfs/dbraw/zinc/96/58/97/373965897.db2.gz FLQHFPOQQMJIBC-HOCLYGCPSA-N 0 3 272.392 2.475 20 30 CEEDHN CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000275289400 374207323 /nfs/dbraw/zinc/20/73/23/374207323.db2.gz XPIQGNRTXGQEEY-VXGBXAGGSA-N 0 3 293.392 2.105 20 30 CEEDHN CN(C)[C@@H](CNCc1cc(C#N)n(C)c1)c1ccsc1 ZINC000277051892 374388005 /nfs/dbraw/zinc/38/80/05/374388005.db2.gz NRAPFFXBLLIYMT-HNNXBMFYSA-N 0 3 288.420 2.351 20 30 CEEDHN Cc1nn(C)c(C)c1[C@H](C)C(=O)NCC1=CCN(C)CC1 ZINC000329222199 227363907 /nfs/dbraw/zinc/36/39/07/227363907.db2.gz VZPHKOPALJQOOW-NSHDSACASA-N 0 3 290.411 2.359 20 30 CEEDHN N#Cc1cccnc1NC[C@H]1CCCCN1C1CC1 ZINC000277407238 374507985 /nfs/dbraw/zinc/50/79/85/374507985.db2.gz KKTJUMCGRLAUQK-CQSZACIVSA-N 0 3 256.353 2.382 20 30 CEEDHN N#Cc1ccc(CC(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000277956383 374693581 /nfs/dbraw/zinc/69/35/81/374693581.db2.gz PHGZGVPXFSATGF-KRWDZBQOSA-N 0 3 297.402 2.234 20 30 CEEDHN CC[C@@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000278389562 374801259 /nfs/dbraw/zinc/80/12/59/374801259.db2.gz DQBLKKCNPNRMAD-HZPDHXFCSA-N 0 3 284.363 2.066 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)CCCCCO ZINC000279733266 374969554 /nfs/dbraw/zinc/96/95/54/374969554.db2.gz NOWFYAZVXSNGIS-UHFFFAOYSA-N 0 3 262.353 2.161 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@](CO)(C(C)C)C1 ZINC000377631571 374906618 /nfs/dbraw/zinc/90/66/18/374906618.db2.gz STWXRWQNEJRVAL-KRWDZBQOSA-N 0 3 288.391 2.407 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000280539517 375236843 /nfs/dbraw/zinc/23/68/43/375236843.db2.gz CVRFBHJUOLGLIS-JQWIXIFHSA-N 0 3 275.352 2.014 20 30 CEEDHN CC(C)(C)[C@H](CO)NCc1cccc(C#N)c1F ZINC000393981173 375327047 /nfs/dbraw/zinc/32/70/47/375327047.db2.gz AYBYMRDMJLXLEA-LBPRGKRZSA-N 0 3 250.317 2.194 20 30 CEEDHN COc1cc(CNC[C@@H]2CC[C@H](C)O2)ccc1C#N ZINC000398070151 375346504 /nfs/dbraw/zinc/34/65/04/375346504.db2.gz FQWMERQBAJSCCI-FZMZJTMJSA-N 0 3 260.337 2.224 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1nccn1C)C1CC1 ZINC000280948295 375346769 /nfs/dbraw/zinc/34/67/69/375346769.db2.gz XCKOUMDHQCCFIN-ILXRZTDVSA-N 0 3 275.396 2.442 20 30 CEEDHN C=CCN1CC[C@@H](N2CC[C@H](c3ccccc3)C2)C1=O ZINC000281136482 375359110 /nfs/dbraw/zinc/35/91/10/375359110.db2.gz AFBBBZZEMLQZRN-JKSUJKDBSA-N 0 3 270.376 2.263 20 30 CEEDHN Cc1cc(N[C@@H]2CCN(Cc3ccccc3)C2)c(C#N)cn1 ZINC000399732449 375366103 /nfs/dbraw/zinc/36/61/03/375366103.db2.gz MKLKJXDVTOGQQV-QGZVFWFLSA-N 0 3 292.386 2.370 20 30 CEEDHN COc1cc(CN2CC[C@H](C)[C@H](OC)C2)ccc1C#N ZINC000282288964 375448892 /nfs/dbraw/zinc/44/88/92/375448892.db2.gz LPOOMUIGQTUJDL-BLLLJJGKSA-N 0 3 274.364 2.424 20 30 CEEDHN C[C@H](N[C@@H]1CCC(=O)NC12CCC2)c1cccc(C#N)c1 ZINC000282943105 375620191 /nfs/dbraw/zinc/62/01/91/375620191.db2.gz ZXGQEHVGRIYXIR-SWLSCSKDSA-N 0 3 283.375 2.410 20 30 CEEDHN Cn1cc(CN2CCC[C@@H]2[C@@H]2CCCO2)cc1C#N ZINC000285039083 375833610 /nfs/dbraw/zinc/83/36/10/375833610.db2.gz KTFULPMQAHQTOE-CABCVRRESA-N 0 3 259.353 2.040 20 30 CEEDHN CCN1CCN(Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000286281681 375897377 /nfs/dbraw/zinc/89/73/77/375897377.db2.gz BTSXCGYJCKOZTH-ZDUSSCGKSA-N 0 3 273.380 2.093 20 30 CEEDHN C[C@@H](C#N)CN(C(=O)Nc1ccc2c(c1)CNCC2)C1CC1 ZINC000415889190 376029565 /nfs/dbraw/zinc/02/95/65/376029565.db2.gz BCEMQEOGZBKAIP-LBPRGKRZSA-N 0 3 298.390 2.488 20 30 CEEDHN C=CC[C@@H](C)NC(=O)NCc1ccc2c(c1)CNC2 ZINC000418583127 376316758 /nfs/dbraw/zinc/31/67/58/376316758.db2.gz NKMJELAEDOXAED-LLVKDONJSA-N 0 3 259.353 2.054 20 30 CEEDHN Cc1nsc(N[C@@H]2CN(C(C)C)C[C@@H]2C)c1C#N ZINC000287937792 376344546 /nfs/dbraw/zinc/34/45/46/376344546.db2.gz RGRMBTOELQTVLE-JOYOIKCWSA-N 0 3 264.398 2.464 20 30 CEEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)[C@@H](C)CN1CCO ZINC000419325730 376441428 /nfs/dbraw/zinc/44/14/28/376441428.db2.gz BGGMINAAFFNVJJ-LSDHHAIUSA-N 0 3 281.444 2.093 20 30 CEEDHN C#Cc1ccccc1CC(=O)NCCN1CCCC[C@@H]1C ZINC000289695403 376448913 /nfs/dbraw/zinc/44/89/13/376448913.db2.gz BMLQXMFDEXMHKV-HNNXBMFYSA-N 0 3 284.403 2.201 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419387551 376450150 /nfs/dbraw/zinc/45/01/50/376450150.db2.gz FUOKNLOLUSNTRZ-UTGUJQJDSA-N 0 3 279.428 2.406 20 30 CEEDHN CS[C@H](CO)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000305799895 376495112 /nfs/dbraw/zinc/49/51/12/376495112.db2.gz CMUUHAMRCJFDSE-PKFCDNJMSA-N 0 3 282.384 2.460 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCc3ccccc32)CC1 ZINC000264323412 190103652 /nfs/dbraw/zinc/10/36/52/190103652.db2.gz BIWNXOBCXRYFCL-UHFFFAOYSA-N 0 3 285.391 2.409 20 30 CEEDHN CCN(CCOc1ccccc1C#N)[C@H]1CCOC1 ZINC000311445429 376671140 /nfs/dbraw/zinc/67/11/40/376671140.db2.gz HRXJAOGHWYVCLW-AWEZNQCLSA-N 0 3 260.337 2.048 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(OC)cc2F)CC1 ZINC000264464037 190111492 /nfs/dbraw/zinc/11/14/92/190111492.db2.gz GUOMLLQATQHXMX-UHFFFAOYSA-N 0 3 292.354 2.215 20 30 CEEDHN C#Cc1ccc(CN[C@H](CO)C[C@@H](O)c2ccccc2)cc1 ZINC000290338679 376738371 /nfs/dbraw/zinc/73/83/71/376738371.db2.gz KYSCEFSXPJMHBE-RBUKOAKNSA-N 0 3 295.382 2.242 20 30 CEEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC000290429110 376774512 /nfs/dbraw/zinc/77/45/12/376774512.db2.gz KAGWNYHMMNJVNK-SECBINFHSA-N 0 3 289.383 2.264 20 30 CEEDHN C=CC[C@H](CO)N[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000280007408 542117440 /nfs/dbraw/zinc/11/74/40/542117440.db2.gz GLSPYQLJSZJFSD-OCCSQVGLSA-N 0 3 277.364 2.218 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)c1cccc(C#N)c1 ZINC000264678207 190128155 /nfs/dbraw/zinc/12/81/55/190128155.db2.gz KLEIXHYQUBTJCW-HNNXBMFYSA-N 0 3 271.364 2.162 20 30 CEEDHN CN(C[C@@H](O)COc1cc(Cl)ccc1C#N)C1CC1 ZINC000290518619 376816353 /nfs/dbraw/zinc/81/63/53/376816353.db2.gz CFNPQYNJSYNXEN-CYBMUJFWSA-N 0 3 280.755 2.046 20 30 CEEDHN CC[C@](C)(CNCc1ccc(C#N)c(OC)c1)OC ZINC000322561417 376830589 /nfs/dbraw/zinc/83/05/89/376830589.db2.gz XFXOVSVTHZVBSX-OAHLLOKOSA-N 0 3 262.353 2.472 20 30 CEEDHN Cc1cc(CC(=O)N[C@@H](C)C2=CCN(C)CC2)no1 ZINC000329288511 376938339 /nfs/dbraw/zinc/93/83/39/376938339.db2.gz HVARDGIRMPNCEZ-NSHDSACASA-N 0 3 263.341 2.132 20 30 CEEDHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(C3CCCC3)C2)O1 ZINC000329292343 376940814 /nfs/dbraw/zinc/94/08/14/376940814.db2.gz REELXFKLGZVJJD-KGYLQXTDSA-N 0 3 295.383 2.043 20 30 CEEDHN Cn1cc(CN2CC[C@@](CO)(c3ccccc3)C2)cc1C#N ZINC000291029775 377039695 /nfs/dbraw/zinc/03/96/95/377039695.db2.gz BGQMMNUDKDATBV-GOSISDBHSA-N 0 3 295.386 2.033 20 30 CEEDHN C#CCCN1CCN([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000291118772 377079575 /nfs/dbraw/zinc/07/95/75/377079575.db2.gz LHQUMRQRHBRJGB-IAGOWNOFSA-N 0 3 254.377 2.183 20 30 CEEDHN CCN(Cc1ccc(C#N)cc1OC)C[C@@H](C)OC ZINC000291127961 377082974 /nfs/dbraw/zinc/08/29/74/377082974.db2.gz BMNFGZTVZWPRBR-GFCCVEGCSA-N 0 3 262.353 2.424 20 30 CEEDHN Cc1cccc(C(=O)NCC2CCN(CCO)CC2)c1F ZINC000330495586 377159312 /nfs/dbraw/zinc/15/93/12/377159312.db2.gz WOLPHZLYJHAIKY-UHFFFAOYSA-N 0 3 294.370 2.143 20 30 CEEDHN CN(CCNCc1cccc(C#N)c1)CC(F)(F)F ZINC000264768210 190134320 /nfs/dbraw/zinc/13/43/20/190134320.db2.gz KAUQAOXJQRCIQU-UHFFFAOYSA-N 0 3 271.286 2.142 20 30 CEEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000291744378 377207997 /nfs/dbraw/zinc/20/79/97/377207997.db2.gz SXPJEAHBIRZDAJ-QGZVFWFLSA-N 0 3 284.403 2.199 20 30 CEEDHN C=C(C)CCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292093476 377223797 /nfs/dbraw/zinc/22/37/97/377223797.db2.gz FSPHMCNAPRQDCM-AWEZNQCLSA-N 0 3 257.337 2.373 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424968744 377314447 /nfs/dbraw/zinc/31/44/47/377314447.db2.gz XQDJZSNEZUIILF-HRCADAONSA-N 0 3 292.342 2.049 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H]1CCC[C@]1(C)CO ZINC000331177122 377314664 /nfs/dbraw/zinc/31/46/64/377314664.db2.gz PXPRRNCXPFHOSU-HZPDHXFCSA-N 0 3 274.364 2.208 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)CCOCC1 ZINC000424722793 377287360 /nfs/dbraw/zinc/28/73/60/377287360.db2.gz ONYNOGWYMAVZPT-HUUCEWRRSA-N 0 3 294.439 2.204 20 30 CEEDHN C[C@]1(CO)CCC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000331147805 377303490 /nfs/dbraw/zinc/30/34/90/377303490.db2.gz HJWKTPVXMZVNQV-HUUCEWRRSA-N 0 3 262.328 2.338 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)CCN1CCOC[C@@H]1C ZINC000425529163 377364084 /nfs/dbraw/zinc/36/40/84/377364084.db2.gz ASWUTIQGIOGXKQ-LSDHHAIUSA-N 0 3 287.407 2.272 20 30 CEEDHN CCc1ccc(C#CC(=O)NC2CCN(CC)CC2)cc1 ZINC000292914816 377350076 /nfs/dbraw/zinc/35/00/76/377350076.db2.gz CSEJXJCVLCLPOP-UHFFFAOYSA-N 0 3 284.403 2.201 20 30 CEEDHN C[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)N1CCC[C@@H](C)C1 ZINC000425449896 377350761 /nfs/dbraw/zinc/35/07/61/377350761.db2.gz XHZJVTWINUHWLH-CBBWQLFWSA-N 0 3 292.427 2.098 20 30 CEEDHN COc1ccc2c(c1)OC(C)(C)CN(C(=O)C(C)C#N)C2 ZINC000331446828 377430970 /nfs/dbraw/zinc/43/09/70/377430970.db2.gz PMJIUIJLRSVUBY-LLVKDONJSA-N 0 3 288.347 2.354 20 30 CEEDHN COc1cc(Br)ccc1CNC(=O)C(C)C#N ZINC000428264786 377489018 /nfs/dbraw/zinc/48/90/18/377489018.db2.gz MFMKUIXAIDRMBA-MRVPVSSYSA-N 0 3 297.152 2.234 20 30 CEEDHN C=CCN(C)CCN(CC)[C@@H](C)c1nc(CC)no1 ZINC000429726117 377520424 /nfs/dbraw/zinc/52/04/24/377520424.db2.gz QIBLTAVJTUKIJG-LBPRGKRZSA-N 0 3 266.389 2.133 20 30 CEEDHN C=CCCC[C@@H](C)N1CC[C@@H](CS(C)(=O)=O)C1 ZINC000429385897 377515355 /nfs/dbraw/zinc/51/53/55/377515355.db2.gz ITVYGTRPFGFXDO-CHWSQXEVSA-N 0 3 259.415 2.098 20 30 CEEDHN N#CC(=C([O-])c1c[nH]c(C(F)(F)F)c1)c1ccncn1 ZINC000429500302 377517046 /nfs/dbraw/zinc/51/70/46/377517046.db2.gz CBUQPPIFZGFXDS-QMMMGPOBSA-N 0 3 280.209 2.314 20 30 CEEDHN N#CC(C(=O)c1c[nH]c(C(F)(F)F)c1)c1ccncn1 ZINC000429500302 377517053 /nfs/dbraw/zinc/51/70/53/377517053.db2.gz CBUQPPIFZGFXDS-QMMMGPOBSA-N 0 3 280.209 2.314 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)NCC1(CC#N)CC1 ZINC000430680905 377541270 /nfs/dbraw/zinc/54/12/70/377541270.db2.gz PYUYRFNPGIOEOY-CQSZACIVSA-N 0 3 292.427 2.244 20 30 CEEDHN C=CCN1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265300934 190173732 /nfs/dbraw/zinc/17/37/32/190173732.db2.gz ZSJBIIRVYXEZJB-UHFFFAOYSA-N 0 3 276.340 2.361 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000332327740 377568641 /nfs/dbraw/zinc/56/86/41/377568641.db2.gz MNVUFPWRYRBRPZ-CQSZACIVSA-N 0 3 267.336 2.056 20 30 CEEDHN C=CCCN1CCN(Cc2c(Cl)n(C)nc2CC)CC1 ZINC000265770347 190205628 /nfs/dbraw/zinc/20/56/28/190205628.db2.gz INAYFAYFWHUURP-UHFFFAOYSA-N 0 3 296.846 2.330 20 30 CEEDHN Cc1cc(CN2CCC[C@H](N3CCOCC3)C2)ccc1C#N ZINC000565723654 377691240 /nfs/dbraw/zinc/69/12/40/377691240.db2.gz BJHZUQBDNCETBB-SFHVURJKSA-N 0 3 299.418 2.163 20 30 CEEDHN N#Cc1ccc(OCCN2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000566175490 377740164 /nfs/dbraw/zinc/74/01/64/377740164.db2.gz ZBFCDJUDBVDSEH-ZBFHGGJFSA-N 0 3 272.348 2.048 20 30 CEEDHN C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC000332865449 377711997 /nfs/dbraw/zinc/71/19/97/377711997.db2.gz HMSPWTBTOIQKSH-UKPHBRMFSA-N 0 3 289.423 2.449 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCCCn1ccnc1 ZINC000433099695 377780630 /nfs/dbraw/zinc/78/06/30/377780630.db2.gz BLZIUTSXVLAHEU-INIZCTEOSA-N 0 3 296.374 2.162 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2COc3cc(F)ccc3C2)C1 ZINC000566501653 377762202 /nfs/dbraw/zinc/76/22/02/377762202.db2.gz SEVQXMUGZGMUDV-HONMWMINSA-N 0 3 260.312 2.411 20 30 CEEDHN CCN(CC(C)(C)O)C(=O)C(C#N)CCc1ccccc1 ZINC000433368218 377791563 /nfs/dbraw/zinc/79/15/63/377791563.db2.gz WHHYQBZPBDTQSD-HNNXBMFYSA-N 0 3 288.391 2.378 20 30 CEEDHN CC[C@](C)(CCO)NC(=O)C(C#N)CCc1ccccc1 ZINC000433379640 377791579 /nfs/dbraw/zinc/79/15/79/377791579.db2.gz ZQWLWYOOWIDXMT-DOTOQJQBSA-N 0 3 288.391 2.426 20 30 CEEDHN CC[C@@](C)(O)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433380387 377791722 /nfs/dbraw/zinc/79/17/22/377791722.db2.gz BHPHHHLUGBOWCW-GOEBONIOSA-N 0 3 274.364 2.036 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)NCCN1CCC[C@H](C)C1 ZINC000437599707 377854397 /nfs/dbraw/zinc/85/43/97/377854397.db2.gz DEFMXCMOEQAMSL-GOEBONIOSA-N 0 3 282.428 2.063 20 30 CEEDHN C=C(CC)CN1CCC[C@@](COC)(C(=O)OCC)C1 ZINC000439478840 377928145 /nfs/dbraw/zinc/92/81/45/377928145.db2.gz ONIBNENNCZXSSS-OAHLLOKOSA-N 0 3 269.385 2.244 20 30 CEEDHN C=CCN1CCC(NC(=O)c2nnc(C(C)C)s2)CC1 ZINC000442559159 377970909 /nfs/dbraw/zinc/97/09/09/377970909.db2.gz NYKIRRHFTFCKTG-UHFFFAOYSA-N 0 3 294.424 2.042 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCCNC(=O)c2ccccc2Cl)C1 ZINC000442789221 377996227 /nfs/dbraw/zinc/99/62/27/377996227.db2.gz JQJHNDJGJZRTCB-VXGBXAGGSA-N 0 3 291.782 2.352 20 30 CEEDHN C#CCOc1ccc(CN[C@@H](CC)[C@@H](O)C(F)F)cc1 ZINC000295064149 378038587 /nfs/dbraw/zinc/03/85/87/378038587.db2.gz OPDWOCQJOZWKDA-UONOGXRCSA-N 0 3 283.318 2.193 20 30 CEEDHN N#Cc1nc(N[C@@H]2CCN(C3CC3)C2)ccc1C(F)(F)F ZINC000443507961 378057133 /nfs/dbraw/zinc/05/71/33/378057133.db2.gz CTSFJSPVBCLJSW-SECBINFHSA-N 0 3 296.296 2.043 20 30 CEEDHN CC#CCCNC(=O)Nc1ccccc1CCN(C)C ZINC000446579984 378086160 /nfs/dbraw/zinc/08/61/60/378086160.db2.gz KDLWYLAIKXQQIF-UHFFFAOYSA-N 0 3 273.380 2.326 20 30 CEEDHN C=CCCOCCNCc1cc(C(=O)OCC)c(C)[nH]1 ZINC000295433496 378154942 /nfs/dbraw/zinc/15/49/42/378154942.db2.gz OXPNRQFVTOFJQM-UHFFFAOYSA-N 0 3 280.368 2.182 20 30 CEEDHN Cc1ccc([C@@H](CNc2nccc(C#N)n2)N2CCCC2)o1 ZINC000295421575 378149498 /nfs/dbraw/zinc/14/94/98/378149498.db2.gz DZLFWCGFHONCBN-CQSZACIVSA-N 0 3 297.362 2.499 20 30 CEEDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)CC2 ZINC000346228647 217845391 /nfs/dbraw/zinc/84/53/91/217845391.db2.gz ZKEFBCQFCPVOPH-QMTHXVAHSA-N 0 3 299.353 2.263 20 30 CEEDHN C=C(C)CCNCc1cnnn1Cc1ccccc1 ZINC000449472872 378213968 /nfs/dbraw/zinc/21/39/68/378213968.db2.gz GLOQRDZNQJTTMF-UHFFFAOYSA-N 0 3 256.353 2.382 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc2ccc(C)cn12 ZINC000449516413 378215551 /nfs/dbraw/zinc/21/55/51/378215551.db2.gz APDDAOQGYKHOIJ-KGLIPLIRSA-N 0 3 257.337 2.076 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc2c(c1)OCCO2 ZINC000449546434 378216247 /nfs/dbraw/zinc/21/62/47/378216247.db2.gz BVWRITRHODOSIS-KGLIPLIRSA-N 0 3 275.348 2.281 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000449694916 378220220 /nfs/dbraw/zinc/22/02/20/378220220.db2.gz CVFXZBZRVKBXSP-WFASDCNBSA-N 0 3 291.391 2.435 20 30 CEEDHN C[C@H]1CN(C(=O)Cc2ccc(C#N)cc2)CCN(C2CC2)C1 ZINC000295439269 378159120 /nfs/dbraw/zinc/15/91/20/378159120.db2.gz VNNZVCUUTVOHFC-CQSZACIVSA-N 0 3 297.402 2.043 20 30 CEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000448603136 378175492 /nfs/dbraw/zinc/17/54/92/378175492.db2.gz DGCWNFXAIVVOTA-KYJSFNMBSA-N 0 3 297.402 2.489 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@@H](N(C)C)C2)CCCC1 ZINC000449838513 378236909 /nfs/dbraw/zinc/23/69/09/378236909.db2.gz GIYRWCGQTAZPKT-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN CC[C@H](C)N1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000296054792 378404481 /nfs/dbraw/zinc/40/44/81/378404481.db2.gz QRNXJSNNFXUXKG-ZDUSSCGKSA-N 0 3 283.379 2.126 20 30 CEEDHN N#CC1(CN[C@@H](CC(N)=O)C2CCCCC2)CCC1 ZINC000450724261 378548084 /nfs/dbraw/zinc/54/80/84/378548084.db2.gz FZFYOFWHWAAXEC-ZDUSSCGKSA-N 0 3 263.385 2.094 20 30 CEEDHN C#CC[C@@H](NC(=O)NCCCN(C)CC#C)c1ccccc1 ZINC000296561600 378576553 /nfs/dbraw/zinc/57/65/53/378576553.db2.gz RXZSUCBWXPFJSN-QGZVFWFLSA-N 0 3 297.402 2.005 20 30 CEEDHN CC(C)[C@@H](C)N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000298494645 378745464 /nfs/dbraw/zinc/74/54/64/378745464.db2.gz YSPYGWCKSZQFOK-CYBMUJFWSA-N 0 3 273.380 2.151 20 30 CEEDHN C=C(C)COc1cc(CN[C@@H](C)CO)ccc1OC ZINC000266162893 190236244 /nfs/dbraw/zinc/23/62/44/190236244.db2.gz OEQFQGOUONLMLA-LBPRGKRZSA-N 0 3 265.353 2.121 20 30 CEEDHN C#CCO[C@H](C)C(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000298689448 378800752 /nfs/dbraw/zinc/80/07/52/378800752.db2.gz YNSQGQNRWMMZQB-ZBFHGGJFSA-N 0 3 298.386 2.036 20 30 CEEDHN CC[C@H](C)[C@@H](O)CNCc1ccc(OC)c(C#N)c1 ZINC000266241987 190242878 /nfs/dbraw/zinc/24/28/78/190242878.db2.gz XJRFQXLNMKPNPO-FZMZJTMJSA-N 0 3 262.353 2.063 20 30 CEEDHN CN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CCN(C2CC2)C1 ZINC000347003861 218088171 /nfs/dbraw/zinc/08/81/71/218088171.db2.gz IGTNKJVADFJZHB-KRWDZBQOSA-N 0 3 297.402 2.186 20 30 CEEDHN CC#CC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000278701030 194110852 /nfs/dbraw/zinc/11/08/52/194110852.db2.gz BFXMHBBVKJVCNP-UHFFFAOYSA-N 0 3 270.376 2.099 20 30 CEEDHN Cn1cc(CNC2CCN(c3ccc(C#N)cc3)CC2)cn1 ZINC000299636982 379084268 /nfs/dbraw/zinc/08/42/68/379084268.db2.gz ZMIAENUCZFFTOW-UHFFFAOYSA-N 0 3 295.390 2.050 20 30 CEEDHN COc1ccc([C@H]2C[C@H](NC(=O)C(C)C#N)C2)cc1F ZINC000506315711 379092617 /nfs/dbraw/zinc/09/26/17/379092617.db2.gz FNGRZOLCRCLMSJ-DLOVCJGASA-N 0 3 276.311 2.356 20 30 CEEDHN COc1cc(CN(C)[C@@H]2CCCC[C@H]2O)ccc1C#N ZINC000300199554 379156599 /nfs/dbraw/zinc/15/65/99/379156599.db2.gz SVZDWYYCPDVTSS-HUUCEWRRSA-N 0 3 274.364 2.302 20 30 CEEDHN C=CCNC(=O)NC(=O)CN(CCC(C)C)CCC(C)C ZINC000515362483 379211945 /nfs/dbraw/zinc/21/19/45/379211945.db2.gz JEWRWOYPQYAKHS-UHFFFAOYSA-N 0 3 297.443 2.392 20 30 CEEDHN C#CC[C@H](NC[C@H](O)CCOCC)c1ccccc1 ZINC000278859599 194186696 /nfs/dbraw/zinc/18/66/96/194186696.db2.gz RZCRHOVLVDDVIG-CVEARBPZSA-N 0 3 261.365 2.128 20 30 CEEDHN CCN1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000301327580 379257012 /nfs/dbraw/zinc/25/70/12/379257012.db2.gz BSWUOHZRIWQBRY-UHFFFAOYSA-N 0 3 266.348 2.248 20 30 CEEDHN CCC(CC)(CCO)CNCc1ccc(C#N)o1 ZINC000266624802 190272129 /nfs/dbraw/zinc/27/21/29/190272129.db2.gz NEPDWLZJPZOFFK-UHFFFAOYSA-N 0 3 250.342 2.430 20 30 CEEDHN C=CCOc1ccc(CNC[C@H](O)COC(C)C)cc1 ZINC000520799208 379503650 /nfs/dbraw/zinc/50/36/50/379503650.db2.gz GXPXLRATARGJEB-HNNXBMFYSA-N 0 3 279.380 2.127 20 30 CEEDHN CCN1C[C@H](C)N(CCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000347682621 218321440 /nfs/dbraw/zinc/32/14/40/218321440.db2.gz CRRYOOVPJXUEHD-GJZGRUSLSA-N 0 3 287.407 2.352 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457101565 379669272 /nfs/dbraw/zinc/66/92/72/379669272.db2.gz YOLAVJMBDUYSBO-HNNXBMFYSA-N 0 3 285.391 2.421 20 30 CEEDHN C#CCN(CC)CCCCN1C(=O)c2ccccc2C1=O ZINC000267319731 190320854 /nfs/dbraw/zinc/32/08/54/190320854.db2.gz OHZULVQDUWNQLU-UHFFFAOYSA-N 0 3 284.359 2.018 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2[C@H](C)[C@@H]2C2CC2)CC1 ZINC000528447381 379973240 /nfs/dbraw/zinc/97/32/40/379973240.db2.gz HBURGGPOSIFUTN-DAXOMENPSA-N 0 3 276.424 2.435 20 30 CEEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1ccccc1C#N ZINC000528481541 379985038 /nfs/dbraw/zinc/98/50/38/379985038.db2.gz XICATFYRGIUCMF-JKSUJKDBSA-N 0 3 286.375 2.338 20 30 CEEDHN Cc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1[N+](=O)[O-] ZINC000487974467 380089776 /nfs/dbraw/zinc/08/97/76/380089776.db2.gz ANBGYHUMVHZMNO-NXEZZACHSA-N 0 3 261.281 2.240 20 30 CEEDHN CC1(N2CCOCC2)CCN(CC#Cc2ccccc2)CC1 ZINC000528728157 380066535 /nfs/dbraw/zinc/06/65/35/380066535.db2.gz YTMMCIZLYJTWJB-UHFFFAOYSA-N 0 3 298.430 2.225 20 30 CEEDHN CC(C)[C@H]1CN(CC#Cc2ccc(F)cc2)CCN1C ZINC000487945799 380090780 /nfs/dbraw/zinc/09/07/80/380090780.db2.gz AZIQFGLMKURWOY-QGZVFWFLSA-N 0 3 274.383 2.449 20 30 CEEDHN CC[C@H](CNC(=O)C(C)C#N)Oc1cccc(C)c1 ZINC000488420786 380095180 /nfs/dbraw/zinc/09/51/80/380095180.db2.gz JEXJMAMQDFVQGU-QWHCGFSZSA-N 0 3 260.337 2.428 20 30 CEEDHN CC1CC(C#N)(C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000529724147 380184832 /nfs/dbraw/zinc/18/48/32/380184832.db2.gz XJEAAFWYFVKICT-GNHJJJEISA-N 0 3 289.423 2.449 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)Cc1cccc(C#N)c1 ZINC000530913465 380206343 /nfs/dbraw/zinc/20/63/43/380206343.db2.gz KSKOMCNIPUEWFC-GASCZTMLSA-N 0 3 299.418 2.480 20 30 CEEDHN COCCO[C@H]1CCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000489019918 380153979 /nfs/dbraw/zinc/15/39/79/380153979.db2.gz VRPHNFLQGRNXSG-INIZCTEOSA-N 0 3 274.364 2.104 20 30 CEEDHN C[C@H]1C[C@H](Nc2ccc3cc(C#N)ccc3n2)CCN1C ZINC000536767751 380233705 /nfs/dbraw/zinc/23/37/05/380233705.db2.gz VQPNIQHODXQUFG-SWLSCSKDSA-N 0 3 280.375 2.423 20 30 CEEDHN C#C[C@@H](NC(=O)/C=C\CN(C)C)c1ccc(Cl)cc1 ZINC000491474176 380323821 /nfs/dbraw/zinc/32/38/21/380323821.db2.gz KPPVLFRHKLTQHP-GEXIGZQTSA-N 0 3 276.767 2.248 20 30 CEEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000543505302 380327334 /nfs/dbraw/zinc/32/73/34/380327334.db2.gz PJMJNABNZUGUJV-GXTWGEPZSA-N 0 3 251.374 2.442 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](COC)C(C)C ZINC000542520676 380306978 /nfs/dbraw/zinc/30/69/78/380306978.db2.gz DULRPQUJNUYPGT-UONOGXRCSA-N 0 3 270.417 2.060 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(C)nc1C(C)C ZINC000491632381 380338440 /nfs/dbraw/zinc/33/84/40/380338440.db2.gz OTTISSVKQMWWIM-UHFFFAOYSA-N 0 3 287.407 2.198 20 30 CEEDHN C[C@H]1CCN(C)CCN1C(=O)/C=C/c1cccc(C#N)c1 ZINC000491848643 380359527 /nfs/dbraw/zinc/35/95/27/380359527.db2.gz RYQQBYIWQSGUOA-UZYOAWRESA-N 0 3 283.375 2.124 20 30 CEEDHN C[C@H]1CCN(C)CCN1C(=O)/C=C\c1cccc(C#N)c1 ZINC000491848636 380359706 /nfs/dbraw/zinc/35/97/06/380359706.db2.gz RYQQBYIWQSGUOA-AFNCTOJWSA-N 0 3 283.375 2.124 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(C)cc1C ZINC000268802676 190434438 /nfs/dbraw/zinc/43/44/38/190434438.db2.gz JTXNAWIRKZORCQ-AWEZNQCLSA-N 0 3 258.365 2.094 20 30 CEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cscc1C#N ZINC000334558966 380591217 /nfs/dbraw/zinc/59/12/17/380591217.db2.gz NVZQZDBDOJYGCP-NSHDSACASA-N 0 3 291.420 2.422 20 30 CEEDHN N#Cc1ccc(N2CCC(NCc3cc[nH]n3)CC2)cc1 ZINC000550598402 380626696 /nfs/dbraw/zinc/62/66/96/380626696.db2.gz KVLVYTSJTRWIHP-UHFFFAOYSA-N 0 3 281.363 2.040 20 30 CEEDHN CC1(C)CC[C@@H]1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000554404813 380768061 /nfs/dbraw/zinc/76/80/61/380768061.db2.gz KREXNFGDBRJTAF-CABCVRRESA-N 0 3 283.375 2.442 20 30 CEEDHN C=CCCCNCc1c(Br)cnn1C ZINC000279211669 194334740 /nfs/dbraw/zinc/33/47/40/194334740.db2.gz WGFAMKNJBFHYPM-UHFFFAOYSA-N 0 3 258.163 2.238 20 30 CEEDHN C#CC(C)(C)N(C)CCOc1ccc(C#N)cc1OC ZINC000279219822 194338133 /nfs/dbraw/zinc/33/81/33/194338133.db2.gz HWVSQNFIWUNNRB-UHFFFAOYSA-N 0 3 272.348 2.289 20 30 CEEDHN C#CCCCN1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000494329506 381157407 /nfs/dbraw/zinc/15/74/07/381157407.db2.gz DHINXKYMIVAHBF-ZDUSSCGKSA-N 0 3 266.385 2.341 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC000495418560 381173431 /nfs/dbraw/zinc/17/34/31/381173431.db2.gz MSQLITVAJZNBDP-QWRGUYRKSA-N 0 3 297.399 2.202 20 30 CEEDHN C=CCOCCN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000495595053 381176899 /nfs/dbraw/zinc/17/68/99/381176899.db2.gz OKAHEGXCKKRTBN-KGLIPLIRSA-N 0 3 298.427 2.424 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495738959 381183614 /nfs/dbraw/zinc/18/36/14/381183614.db2.gz NSVLROZPHYQFTR-STQMWFEESA-N 0 3 266.385 2.387 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2cccc(N3CCOC3=O)c2)C1 ZINC000496873116 381231505 /nfs/dbraw/zinc/23/15/05/381231505.db2.gz GWBFTRQKPBWQSR-GXTWGEPZSA-N 0 3 285.347 2.425 20 30 CEEDHN C[C@H](NCC1(S(C)(=O)=O)CCC1)c1cccc(C#N)c1 ZINC000280907087 195023461 /nfs/dbraw/zinc/02/34/61/195023461.db2.gz GEMDSDISHRCNAC-LBPRGKRZSA-N 0 3 292.404 2.176 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1[C@@H](C)CCC[C@@H]1C ZINC000066531938 285040820 /nfs/dbraw/zinc/04/08/20/285040820.db2.gz GGLXQIWBTZDXJM-RDBSUJKOSA-N 0 3 265.401 2.257 20 30 CEEDHN COc1cc(CNCCc2cccnc2OC)ccc1C#N ZINC000289413904 197336815 /nfs/dbraw/zinc/33/68/15/197336815.db2.gz AOKIKTVUOIVZFD-UHFFFAOYSA-N 0 3 297.358 2.303 20 30 CEEDHN CCC[C@H](C)C(=O)NCCNCc1cc(C#N)cs1 ZINC000353809212 220342202 /nfs/dbraw/zinc/34/22/02/220342202.db2.gz LNZFKOKYZFIBHA-NSHDSACASA-N 0 3 279.409 2.262 20 30 CEEDHN CCN1CCCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000335715860 285209638 /nfs/dbraw/zinc/20/96/38/285209638.db2.gz FJXOTVIOBOZBHR-UHFFFAOYSA-N 0 3 292.427 2.054 20 30 CEEDHN COC(=O)CCN(Cc1cc(C#N)cs1)C(C)C ZINC000093384081 184670126 /nfs/dbraw/zinc/67/01/26/184670126.db2.gz VVEVSVQIZQQJCD-UHFFFAOYSA-N 0 3 266.366 2.393 20 30 CEEDHN C[S@@](=O)CCCNCc1cccc(OCCCC#N)c1 ZINC000116918472 262194896 /nfs/dbraw/zinc/19/48/96/262194896.db2.gz YCDOCKQAISPAJO-FQEVSTJZSA-N 0 3 294.420 2.227 20 30 CEEDHN O[C@@H]1CC[C@H]2CN(CC#Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000344034133 285327323 /nfs/dbraw/zinc/32/73/23/285327323.db2.gz GKDXZXDMPIETLV-NUEKZKHPSA-N 0 3 275.779 2.394 20 30 CEEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCC2(CC#N)CC2)C1 ZINC000497040542 262362877 /nfs/dbraw/zinc/36/28/77/262362877.db2.gz RDVJNFDCEFANAO-GFCCVEGCSA-N 0 3 279.384 2.279 20 30 CEEDHN COc1cc(CN[C@@H]2CCCc3cn[nH]c32)ccc1C#N ZINC000281752456 195365338 /nfs/dbraw/zinc/36/53/38/195365338.db2.gz RDRRJNIEXPJONU-CQSZACIVSA-N 0 3 282.347 2.457 20 30 CEEDHN COc1ccc(CCCN(C)C(=O)C(C)C#N)cc1 ZINC000347082924 533469921 /nfs/dbraw/zinc/46/99/21/533469921.db2.gz YOUFQQJEFPIFMJ-LBPRGKRZSA-N 0 3 260.337 2.246 20 30 CEEDHN Cn1cc(CNCCN2CCc3ccccc3C2)cc1C#N ZINC000190722285 130139087 /nfs/dbraw/zinc/13/90/87/130139087.db2.gz ZSKXVEIRCBDZFL-UHFFFAOYSA-N 0 3 294.402 2.045 20 30 CEEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)C2(C#N)CC(C)C2)C[C@@H](C)C1 ZINC000575111107 335066617 /nfs/dbraw/zinc/06/66/17/335066617.db2.gz BDXQZZQRYJUFHJ-HJTLVLNNSA-N 0 3 289.423 2.115 20 30 CEEDHN Cc1cc(NC[C@H]2CCCN2C)c(C#N)cc1[N+](=O)[O-] ZINC000413087723 394480820 /nfs/dbraw/zinc/48/08/20/394480820.db2.gz VOGBREURORSNPF-GFCCVEGCSA-N 0 3 274.324 2.281 20 30 CEEDHN C=C(C)COCCNCc1ccc(C#N)c(OC)c1 ZINC000234841834 394482881 /nfs/dbraw/zinc/48/28/81/394482881.db2.gz OSMJRZNCPGFKNQ-UHFFFAOYSA-N 0 3 260.337 2.249 20 30 CEEDHN CN(CCCNC(=O)C(C)(C)C#N)Cc1ccccc1 ZINC000042106330 394501217 /nfs/dbraw/zinc/50/12/17/394501217.db2.gz OAGAJWAOYPALDT-UHFFFAOYSA-N 0 3 273.380 2.174 20 30 CEEDHN C=CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000060908902 394567303 /nfs/dbraw/zinc/56/73/03/394567303.db2.gz JSPBHWFLQWOERZ-UHFFFAOYSA-N 0 3 287.407 2.309 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CCCOC1 ZINC000329511521 394568601 /nfs/dbraw/zinc/56/86/01/394568601.db2.gz NDRRMBUEIVYKTC-QLFBSQMISA-N 0 3 297.443 2.180 20 30 CEEDHN CC[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000329540700 394571623 /nfs/dbraw/zinc/57/16/23/394571623.db2.gz DAZFLLUCECDQFF-WOPDTQHZSA-N 0 3 276.384 2.349 20 30 CEEDHN C[C@]1(CNC(=O)N[C@H]2CCc3[nH]cnc3C2)CCCS1 ZINC000329635190 394578322 /nfs/dbraw/zinc/57/83/22/394578322.db2.gz XNFAJBASCYNDGV-IINYFYTJSA-N 0 3 294.424 2.056 20 30 CEEDHN C[C@]1(CNC(=O)N[C@H]2CCc3nc[nH]c3C2)CCCS1 ZINC000329635190 394578329 /nfs/dbraw/zinc/57/83/29/394578329.db2.gz XNFAJBASCYNDGV-IINYFYTJSA-N 0 3 294.424 2.056 20 30 CEEDHN CC(C)O[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN2C)C1(C)C ZINC000329632956 394578363 /nfs/dbraw/zinc/57/83/63/394578363.db2.gz SCSIGCCDXGHBJW-MELADBBJSA-N 0 3 297.443 2.176 20 30 CEEDHN CN(C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1)C1CCCC1 ZINC000329756836 394583829 /nfs/dbraw/zinc/58/38/29/394583829.db2.gz YYKLBWMTCRTDIU-SNVBAGLBSA-N 0 3 262.357 2.055 20 30 CEEDHN CN(C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1)C1CCCC1 ZINC000329756836 394583833 /nfs/dbraw/zinc/58/38/33/394583833.db2.gz YYKLBWMTCRTDIU-SNVBAGLBSA-N 0 3 262.357 2.055 20 30 CEEDHN O=C(NCC1CC[NH+](C2CC2)CC1)c1csc(=O)[n-]1 ZINC000329916805 394594905 /nfs/dbraw/zinc/59/49/05/394594905.db2.gz DXHZJLBIUZTEJG-UHFFFAOYSA-N 0 3 281.381 2.028 20 30 CEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(C)(C)C#N ZINC000049119544 394541967 /nfs/dbraw/zinc/54/19/67/394541967.db2.gz KGAJSMPEOWONJO-JHJVBQTASA-N 0 3 265.401 2.019 20 30 CEEDHN COc1ccnc(CC(=O)NC2CCN(C3CC3)CC2)c1 ZINC000329893061 394592198 /nfs/dbraw/zinc/59/21/98/394592198.db2.gz JIXRAJOHLQAMFA-UHFFFAOYSA-N 0 3 289.379 2.216 20 30 CEEDHN O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CCC(=O)NC1 ZINC000329890603 394592281 /nfs/dbraw/zinc/59/22/81/394592281.db2.gz GNHFTAIWBLADFL-YPMHNXCESA-N 0 3 279.384 2.326 20 30 CEEDHN Cc1cccc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)c1 ZINC000330372173 394601481 /nfs/dbraw/zinc/60/14/81/394601481.db2.gz JXLNRKXJOAWLOI-MRXNPFEDSA-N 0 3 290.407 2.392 20 30 CEEDHN CCCN1CCC(NC(=O)c2scnc2COC)CC1 ZINC000330466184 394613068 /nfs/dbraw/zinc/61/30/68/394613068.db2.gz HBSSBLWMXUTOSK-UHFFFAOYSA-N 0 3 297.424 2.469 20 30 CEEDHN C[C@H](NC(=O)N(C)Cc1ccc[nH]1)C1=CCN(C)CC1 ZINC000330783599 394625670 /nfs/dbraw/zinc/62/56/70/394625670.db2.gz ZZPNSWQLCRUOAH-LBPRGKRZSA-N 0 3 276.384 2.011 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000334282643 394671231 /nfs/dbraw/zinc/67/12/31/394671231.db2.gz IGEHCDHGDBFSMV-CZUORRHYSA-N 0 3 277.412 2.259 20 30 CEEDHN C[C@@H](CNC(=O)[C@]1(C#N)CC12CCCC2)N(C)C1CC1 ZINC000333149070 394642223 /nfs/dbraw/zinc/64/22/23/394642223.db2.gz GOLOEDJHEWJSCR-BLLLJJGKSA-N 0 3 275.396 2.059 20 30 CEEDHN CN1C[C@@H]2CCCN(C(=O)C3(C#N)CCCCC3)[C@@H]2C1 ZINC000335108127 394738546 /nfs/dbraw/zinc/73/85/46/394738546.db2.gz GQDXNSIUQJZSMQ-UONOGXRCSA-N 0 3 275.396 2.013 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](N2CCCC2=O)C1 ZINC000270826255 394740086 /nfs/dbraw/zinc/74/00/86/394740086.db2.gz CARMOVZHCVULKE-CZUORRHYSA-N 0 3 283.375 2.316 20 30 CEEDHN CSc1cccc(F)c1CNC(=O)C(C)C#N ZINC000359092231 394741146 /nfs/dbraw/zinc/74/11/46/394741146.db2.gz GGAFBXZKGXAQKH-MRVPVSSYSA-N 0 3 252.314 2.323 20 30 CEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)C1(C#N)CCCC1 ZINC000334333657 394676037 /nfs/dbraw/zinc/67/60/37/394676037.db2.gz VDDQNBUAWACDNV-KBPBESRZSA-N 0 3 275.396 2.156 20 30 CEEDHN [NH2+]=C(NCc1ccc([O-])c(F)c1)NC1CCCCC1 ZINC000267419168 394678505 /nfs/dbraw/zinc/67/85/05/394678505.db2.gz KBHZGHZUQXPLIX-UHFFFAOYSA-N 0 3 265.332 2.268 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000268168734 394689791 /nfs/dbraw/zinc/68/97/91/394689791.db2.gz QGTWEPGKVJIATR-IINYFYTJSA-N 0 3 286.335 2.361 20 30 CEEDHN CN(C)C1(CN(C)C(=O)C2(C#N)CCCC2)CCC1 ZINC000097932580 394699948 /nfs/dbraw/zinc/69/99/48/394699948.db2.gz JOIRCNJVERPWER-UHFFFAOYSA-N 0 3 263.385 2.013 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1CO ZINC000268949080 394703170 /nfs/dbraw/zinc/70/31/70/394703170.db2.gz DNMDZTRUYYJPMW-CQSZACIVSA-N 0 3 258.365 2.444 20 30 CEEDHN CC[C@@H](C(=O)Nc1cc(C)n(CCC#N)n1)N(CC)CC ZINC000271062698 394746461 /nfs/dbraw/zinc/74/64/61/394746461.db2.gz LUFJESQCYKMXEC-ZDUSSCGKSA-N 0 3 291.399 2.164 20 30 CEEDHN CC(C#N)C(=O)N1Cc2ccccc2OC(C)(C)C1 ZINC000334977823 394723117 /nfs/dbraw/zinc/72/31/17/394723117.db2.gz VBEKJQHBURIQGW-LLVKDONJSA-N 0 3 258.321 2.346 20 30 CEEDHN CC#CCNC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000359339508 394748143 /nfs/dbraw/zinc/74/81/43/394748143.db2.gz YRQXBKMZYBURAA-OLZOCXBDSA-N 0 3 277.368 2.031 20 30 CEEDHN CN(C[C@H](O)c1ccc(C#N)cc1)C[C@H]1CCCC[C@H]1O ZINC000272462013 394773082 /nfs/dbraw/zinc/77/30/82/394773082.db2.gz DPDXRMCVFUCTKT-ZACQAIPSSA-N 0 3 288.391 2.075 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H](C)C(C)(C)C)CC1 ZINC000359960274 394781664 /nfs/dbraw/zinc/78/16/64/394781664.db2.gz QPICKBWBMWUSOE-LBPRGKRZSA-N 0 3 252.402 2.435 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](CCO)c1ccc(Cl)cc1 ZINC000360480253 394801267 /nfs/dbraw/zinc/80/12/67/394801267.db2.gz VZRRBPYTLIFKQQ-CABZTGNLSA-N 0 3 266.728 2.039 20 30 CEEDHN C=C(C)CN1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000335939241 394812990 /nfs/dbraw/zinc/81/29/90/394812990.db2.gz XERHYTDEWAWPNT-UHFFFAOYSA-N 0 3 250.386 2.430 20 30 CEEDHN N#C[C@@H]1CC[C@@H](Nc2cccc(CN3CC[C@H](O)C3)c2)C1 ZINC000361081613 394814883 /nfs/dbraw/zinc/81/48/83/394814883.db2.gz MWGWLXCCBOHKGO-XYPHTWIQSA-N 0 3 285.391 2.357 20 30 CEEDHN N#Cc1ccc2ncc(CNCCOC3CCCC3)n2c1 ZINC000123487562 394827663 /nfs/dbraw/zinc/82/76/63/394827663.db2.gz JXYLVTKEKRMLFV-UHFFFAOYSA-N 0 3 284.363 2.255 20 30 CEEDHN N#Cc1ccc(N2CC[C@H](N3CC[C@@H](C4CC4)C3)C2=O)cc1 ZINC000336241233 394836463 /nfs/dbraw/zinc/83/64/63/394836463.db2.gz RRRSMQWVHFBZFS-WBVHZDCISA-N 0 3 295.386 2.395 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](C)C1 ZINC000362429969 394861346 /nfs/dbraw/zinc/86/13/46/394861346.db2.gz KSHZNPSTNZSAFK-BHPKHCPMSA-N 0 3 265.401 2.017 20 30 CEEDHN C=CCN1CC[C@@H](N(C)[C@H]2CCc3ccccc3C2)C1=O ZINC000282039493 394900908 /nfs/dbraw/zinc/90/09/08/394900908.db2.gz QVBROCYCJFYAMY-DLBZAZTESA-N 0 3 284.403 2.263 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@H]2CCc3ccccc3C2)C1=O ZINC000282039501 394901074 /nfs/dbraw/zinc/90/10/74/394901074.db2.gz QVBROCYCJFYAMY-IRXDYDNUSA-N 0 3 284.403 2.263 20 30 CEEDHN C=CCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000285213045 394954419 /nfs/dbraw/zinc/95/44/19/394954419.db2.gz WULHSEUMWAOWAT-TZMCWYRMSA-N 0 3 261.369 2.163 20 30 CEEDHN C[C@H](C#N)CN(C(=O)CN1[C@H](C)CC[C@@H]1C)C1CC1 ZINC000338347843 394915532 /nfs/dbraw/zinc/91/55/32/394915532.db2.gz MEAXPFZSVQEAHH-UPJWGTAASA-N 0 3 263.385 2.010 20 30 CEEDHN C#CCCCN(CCNC(C)=O)Cc1ccsc1 ZINC000282357682 394917455 /nfs/dbraw/zinc/91/74/55/394917455.db2.gz BBDRXMOUORQJGO-UHFFFAOYSA-N 0 3 264.394 2.100 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N1CCCN(C(C)C)CC1)OCC ZINC000339304493 394955478 /nfs/dbraw/zinc/95/54/78/394955478.db2.gz QGTYZXVTLPDCDI-OAHLLOKOSA-N 0 3 282.428 2.300 20 30 CEEDHN CCN(CC)C(=O)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000338941539 394933623 /nfs/dbraw/zinc/93/36/23/394933623.db2.gz KJYSDDNYAOXVMU-DZGCQCFKSA-N 0 3 277.412 2.259 20 30 CEEDHN C=CCOCCN1CCC(C(=O)OC(C)(C)C)CC1 ZINC000338958928 394934517 /nfs/dbraw/zinc/93/45/17/394934517.db2.gz WGUIRVITJLCCGM-UHFFFAOYSA-N 0 3 269.385 2.243 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3nnc4n3CCC4)C2)C1 ZINC000338980243 394935428 /nfs/dbraw/zinc/93/54/28/394935428.db2.gz ISLSPFLZXBIABZ-MCIONIFRSA-N 0 3 285.395 2.096 20 30 CEEDHN N#CCCOCCN1CCC(n2cc(Cl)cn2)CC1 ZINC000339079894 394940420 /nfs/dbraw/zinc/94/04/20/394940420.db2.gz KZOHVHADDDKSRK-UHFFFAOYSA-N 0 3 282.775 2.104 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC=CC[C@H]2C)CC1 ZINC000284144229 394941387 /nfs/dbraw/zinc/94/13/87/394941387.db2.gz DQBQIQPUBSKPCZ-UKRRQHHQSA-N 0 3 262.397 2.355 20 30 CEEDHN CN(CCOCCC#N)Cc1cc(C(C)(C)C)[nH]n1 ZINC000339132185 394945204 /nfs/dbraw/zinc/94/52/04/394945204.db2.gz ZSFBGBCVBWNAAE-UHFFFAOYSA-N 0 3 264.373 2.069 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CC[C@H](C(F)(F)F)[C@H](CO)C2)C1 ZINC000339192022 394950618 /nfs/dbraw/zinc/95/06/18/394950618.db2.gz IAYQNSRDRBZECM-RHYQMDGZSA-N 0 3 276.302 2.171 20 30 CEEDHN C=CCOCCN(CCOC)[C@H]1CCCSC1 ZINC000339212208 394952541 /nfs/dbraw/zinc/95/25/41/394952541.db2.gz CGGPPCIDRIDHEX-ZDUSSCGKSA-N 0 3 259.415 2.033 20 30 CEEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H]1CCCOC1 ZINC000342648165 395018917 /nfs/dbraw/zinc/01/89/17/395018917.db2.gz AGFIPQDPBOCIRW-QGZVFWFLSA-N 0 3 288.391 2.433 20 30 CEEDHN Cc1ccnc(N2C[C@H](N3CCCC3)C[C@H]2C)c1C#N ZINC000286525815 395022924 /nfs/dbraw/zinc/02/29/24/395022924.db2.gz ZZSLGUHLHCQBLX-ZIAGYGMSSA-N 0 3 270.380 2.325 20 30 CEEDHN CCN1CC[C@H]2OCCN(CCCC(C)(C)C#N)[C@H]2C1 ZINC000339389505 394958139 /nfs/dbraw/zinc/95/81/39/394958139.db2.gz CRUVDNBICQDKSX-LSDHHAIUSA-N 0 3 279.428 2.111 20 30 CEEDHN C#CCCCCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000155032749 395025664 /nfs/dbraw/zinc/02/56/64/395025664.db2.gz ZQROEWULOSOPGR-INIZCTEOSA-N 0 3 291.439 2.450 20 30 CEEDHN CC#CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000135955420 394968664 /nfs/dbraw/zinc/96/86/64/394968664.db2.gz NEETVSSSTLRYKW-MRXNPFEDSA-N 0 3 299.418 2.316 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000155225957 395026530 /nfs/dbraw/zinc/02/65/30/395026530.db2.gz KWMLRACCXWHNQR-OWCLPIDISA-N 0 3 284.403 2.311 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000340000417 394976657 /nfs/dbraw/zinc/97/66/57/394976657.db2.gz YQPDRRNXXXRBSA-GDBMZVCRSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCN(C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000288309212 395057441 /nfs/dbraw/zinc/05/74/41/395057441.db2.gz XGLTYKILMSLOPS-WMLDXEAASA-N 0 3 299.418 2.485 20 30 CEEDHN C#Cc1ccc(CN2CCC(N3CCCNC3=O)CC2)cc1 ZINC000373254197 395057875 /nfs/dbraw/zinc/05/78/75/395057875.db2.gz GVAUSGVFULATAG-UHFFFAOYSA-N 0 3 297.402 2.048 20 30 CEEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@@](O)(C3CC3)C2)cc1 ZINC000373322742 395058833 /nfs/dbraw/zinc/05/88/33/395058833.db2.gz JOORWPSKRGTPLB-GUYCJALGSA-N 0 3 286.375 2.324 20 30 CEEDHN CC(C)OC[C@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425529685 395061459 /nfs/dbraw/zinc/06/14/59/395061459.db2.gz CMDNOWAXZPGTJY-XJKSGUPXSA-N 0 3 276.380 2.337 20 30 CEEDHN C#CCCNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000373597446 395063578 /nfs/dbraw/zinc/06/35/78/395063578.db2.gz NMAIMXVKEYDEEB-GOSISDBHSA-N 0 3 299.418 2.364 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@](CO)(CCC)C1 ZINC000288836299 395067340 /nfs/dbraw/zinc/06/73/40/395067340.db2.gz OFQMEAASVZPPJS-RDJZCZTQSA-N 0 3 294.439 2.060 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000345709497 395073553 /nfs/dbraw/zinc/07/35/53/395073553.db2.gz JBHSZVLWAWRNQQ-NSHDSACASA-N 0 3 253.305 2.209 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)[C@H](N)CC(F)F ZINC000345715558 395074573 /nfs/dbraw/zinc/07/45/73/395074573.db2.gz QDGHRYOQWZWQGZ-GFCCVEGCSA-N 0 3 268.307 2.184 20 30 CEEDHN CC(C#N)C(=O)NCC(=O)Nc1cccc2ccccc21 ZINC000345797044 395078193 /nfs/dbraw/zinc/07/81/93/395078193.db2.gz IREJZRVSGPQNON-NSHDSACASA-N 0 3 281.315 2.054 20 30 CEEDHN CCOCCOCc1cccc(CNC(=O)C(C)C#N)c1 ZINC000345848399 395080216 /nfs/dbraw/zinc/08/02/16/395080216.db2.gz PHMIRIVQSSOVDN-ZDUSSCGKSA-N 0 3 290.363 2.016 20 30 CEEDHN C=C[C@@H](CO)N[C@H]1CCCc2nc(CC)sc21 ZINC000289743047 395085375 /nfs/dbraw/zinc/08/53/75/395085375.db2.gz KRWUEGDWWKEBHU-UWVGGRQHSA-N 0 3 252.383 2.219 20 30 CEEDHN NC(=O)C[C@@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000427016099 395088633 /nfs/dbraw/zinc/08/86/33/395088633.db2.gz OLMPZZARTANCTK-HNNXBMFYSA-N 0 3 290.794 2.421 20 30 CEEDHN C=CCCN(C)C(=O)CCN1CCc2ccccc2C1 ZINC000416219967 395033571 /nfs/dbraw/zinc/03/35/71/395033571.db2.gz XVMPGGPYKUTUSY-UHFFFAOYSA-N 0 3 272.392 2.469 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000287281781 395037517 /nfs/dbraw/zinc/03/75/17/395037517.db2.gz SUJXJQVAPXZCEG-IAQYHMDHSA-N 0 3 287.363 2.159 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)CN(C)C(C)C ZINC000287397388 395040563 /nfs/dbraw/zinc/04/05/63/395040563.db2.gz RZMVQBRBCGNLRU-MRXNPFEDSA-N 0 3 272.392 2.077 20 30 CEEDHN C=CCC[C@H](NC[C@@]1(O)CCO[C@@H]1C)c1ccco1 ZINC000287502723 395043244 /nfs/dbraw/zinc/04/32/44/395043244.db2.gz NTMJETTWHONSKT-IPYPFGDCSA-N 0 3 265.353 2.416 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)CN(CC)CC ZINC000287631159 395044977 /nfs/dbraw/zinc/04/49/77/395044977.db2.gz ZOJIGXLKSKEAST-MRXNPFEDSA-N 0 3 272.392 2.079 20 30 CEEDHN CCC[C@@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346440073 395099583 /nfs/dbraw/zinc/09/95/83/395099583.db2.gz WLNBZHWWEQDYCM-UONOGXRCSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CCOCCN[C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000376266661 395114314 /nfs/dbraw/zinc/11/43/14/395114314.db2.gz PNVUTSFEHXVGAK-CYBMUJFWSA-N 0 3 278.327 2.391 20 30 CEEDHN CCCCCCCCN1CCc2nn(C)c(=O)cc2C1 ZINC000172793808 395106344 /nfs/dbraw/zinc/10/63/44/395106344.db2.gz OKBRCNLDPICARG-UHFFFAOYSA-N 0 3 277.412 2.499 20 30 CEEDHN Cc1ccc(CN[C@H](C)c2cccc(C#N)c2)c(=O)n1C ZINC000494435233 395112836 /nfs/dbraw/zinc/11/28/36/395112836.db2.gz MXPMEKWPAZKTSO-CYBMUJFWSA-N 0 3 281.359 2.416 20 30 CEEDHN Cn1cc(CNCc2ccc3c(c2)CCN3C)cc1C#N ZINC000377342816 395136507 /nfs/dbraw/zinc/13/65/07/395136507.db2.gz BPYDFDVOWOLDKJ-UHFFFAOYSA-N 0 3 280.375 2.179 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@](C)(O)CC1 ZINC000348359853 395142558 /nfs/dbraw/zinc/14/25/58/395142558.db2.gz CKFCDPXMSKDXMT-HOCLYGCPSA-N 0 3 282.428 2.036 20 30 CEEDHN CN(Cc1cccc(F)c1C#N)[C@H]1CCN(C2CC2)C1 ZINC000428251537 395143783 /nfs/dbraw/zinc/14/37/83/395143783.db2.gz VWTSHSGVBHYWLR-AWEZNQCLSA-N 0 3 273.355 2.366 20 30 CEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(CC#N)c2)C1 ZINC000178313444 395164732 /nfs/dbraw/zinc/16/47/32/395164732.db2.gz QWEHEFWNEGEZHS-IAGOWNOFSA-N 0 3 297.402 2.309 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H](C)[C@@H](O)C2)cc1OC ZINC000349346846 395166186 /nfs/dbraw/zinc/16/61/86/395166186.db2.gz LCJVKVATNGHXNK-HIFRSBDPSA-N 0 3 291.391 2.463 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@H](C)[C@H](O)C1 ZINC000349365391 395166979 /nfs/dbraw/zinc/16/69/79/395166979.db2.gz HONZMVBLMKSHGR-DZGCQCFKSA-N 0 3 261.365 2.454 20 30 CEEDHN C#CCNC(=O)CCN(Cc1ccccc1F)C(C)C ZINC000293443144 395234185 /nfs/dbraw/zinc/23/41/85/395234185.db2.gz KAUQZDARIWFKBS-UHFFFAOYSA-N 0 3 276.355 2.176 20 30 CEEDHN C#CCNC(=O)CCN1CCC[C@@H]1c1ccsc1 ZINC000293417554 395234531 /nfs/dbraw/zinc/23/45/31/395234531.db2.gz IMZNYVXLUOUJJY-CYBMUJFWSA-N 0 3 262.378 2.025 20 30 CEEDHN Cc1ccc(C#N)c(N2CC[C@]3(C2)CCCN(C)C3)n1 ZINC000292926475 395210912 /nfs/dbraw/zinc/21/09/12/395210912.db2.gz YXVGMIXIEOPVLV-MRXNPFEDSA-N 0 3 270.380 2.184 20 30 CEEDHN C=CCC[C@H](O)CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000352431194 395252620 /nfs/dbraw/zinc/25/26/20/395252620.db2.gz JPWMPDKUGYWDLB-SOUVJXGZSA-N 0 3 265.397 2.347 20 30 CEEDHN N#Cc1cccnc1OC1CCC(NCc2cc[nH]n2)CC1 ZINC000438495509 395222878 /nfs/dbraw/zinc/22/28/78/395222878.db2.gz QGQUGPGEQQJAIN-UHFFFAOYSA-N 0 3 297.362 2.156 20 30 CEEDHN CC#CCN(C)CCCCN1C(=O)c2ccccc2C1=O ZINC000293187066 395224314 /nfs/dbraw/zinc/22/43/14/395224314.db2.gz PZUWYWDDGLJKID-UHFFFAOYSA-N 0 3 284.359 2.018 20 30 CEEDHN CC(C)(C)NC(=O)CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353277463 395293685 /nfs/dbraw/zinc/29/36/85/395293685.db2.gz ONPRFZTUKIWNMR-HNNXBMFYSA-N 0 3 285.391 2.440 20 30 CEEDHN N#Cc1ccc(C2(NCc3cnc[nH]3)CCOCC2)cc1 ZINC000528778659 395295079 /nfs/dbraw/zinc/29/50/79/395295079.db2.gz LCMHUPYLQIBGND-UHFFFAOYSA-N 0 3 282.347 2.077 20 30 CEEDHN CC(C)OCCCN(C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000354236105 395322689 /nfs/dbraw/zinc/32/26/89/395322689.db2.gz GLJKSSCUBYNDIQ-ZBFHGGJFSA-N 0 3 297.443 2.176 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000352452566 395255116 /nfs/dbraw/zinc/25/51/16/395255116.db2.gz ALRFAHKWMWAMRJ-GOEBONIOSA-N 0 3 282.428 2.015 20 30 CEEDHN CC[C@H](CC#N)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000183841021 395265251 /nfs/dbraw/zinc/26/52/51/395265251.db2.gz NUKKRHUIUAOIMB-ZIAGYGMSSA-N 0 3 265.401 2.305 20 30 CEEDHN CC(C)(O)CN1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411223419 395323729 /nfs/dbraw/zinc/32/37/29/395323729.db2.gz CSADXLODPSCYCW-UHFFFAOYSA-N 0 3 293.455 2.239 20 30 CEEDHN C=CCOCCN[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000294138417 395267288 /nfs/dbraw/zinc/26/72/88/395267288.db2.gz ODWNGTJJFYSPLE-KRWDZBQOSA-N 0 3 298.386 2.382 20 30 CEEDHN C=CCOCCCN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000352904478 395275293 /nfs/dbraw/zinc/27/52/93/395275293.db2.gz UXIACUGVEPSZKX-LBPRGKRZSA-N 0 3 281.318 2.358 20 30 CEEDHN Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1S(C)(=O)=O ZINC000442868509 395397585 /nfs/dbraw/zinc/39/75/85/395397585.db2.gz CJSBCYFYZLFPTM-TZMCWYRMSA-N 0 3 292.404 2.180 20 30 CEEDHN COCCOC[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC000192045752 395371700 /nfs/dbraw/zinc/37/17/00/395371700.db2.gz BCXFFMYUKFZCKT-QGZVFWFLSA-N 0 3 273.376 2.023 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCS[C@H](C)CC1 ZINC000192185712 395375682 /nfs/dbraw/zinc/37/56/82/395375682.db2.gz XNVWRKFDMQCXSZ-CYBMUJFWSA-N 0 3 268.426 2.014 20 30 CEEDHN CCC[C@@H]1CN([C@@H](C)CCC#N)CCN1CCOC ZINC000411416574 395328790 /nfs/dbraw/zinc/32/87/90/395328790.db2.gz CULGMQFUQUPLON-LSDHHAIUSA-N 0 3 267.417 2.111 20 30 CEEDHN Cn1cc(CNC[C@H](c2ccco2)N2CCCC2)cc1C#N ZINC000189577770 395329716 /nfs/dbraw/zinc/32/97/16/395329716.db2.gz PXHQPZQMCWTXFE-MRXNPFEDSA-N 0 3 298.390 2.416 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCCn2c3ccccc3[nH]c2=O)C1 ZINC000442856808 395396155 /nfs/dbraw/zinc/39/61/55/395396155.db2.gz ZHGLXSDLSLAFLN-VXGBXAGGSA-N 0 3 270.336 2.024 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N(CCC)CCN1CCCCCC1 ZINC000411733137 395337350 /nfs/dbraw/zinc/33/73/50/395337350.db2.gz FMCVYINCWMAUGG-MRXNPFEDSA-N 0 3 295.471 2.265 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)[C@@](C)(OC)C1CC1 ZINC000411960379 395342331 /nfs/dbraw/zinc/34/23/31/395342331.db2.gz ZAIDEBHIIRKHDD-XJKSGUPXSA-N 0 3 282.428 2.204 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435044445 395345439 /nfs/dbraw/zinc/34/54/39/395345439.db2.gz UTPOIKNBKLUNDP-MRXNPFEDSA-N 0 3 297.402 2.190 20 30 CEEDHN CCN(CC(=O)NC1(C#N)CCCCC1)C(C)C ZINC000194084775 395424282 /nfs/dbraw/zinc/42/42/82/395424282.db2.gz KMVPHWKRIUHVDP-UHFFFAOYSA-N 0 3 251.374 2.059 20 30 CEEDHN CC[C@H]1CCCCN1CCNC[C@H](C#N)CCC#N ZINC000567891821 395540096 /nfs/dbraw/zinc/54/00/96/395540096.db2.gz UZPMFNRMGGLYTG-GJZGRUSLSA-N 0 3 262.401 2.284 20 30 CEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cn1 ZINC000573696657 395615716 /nfs/dbraw/zinc/61/57/16/395615716.db2.gz USDSZYAUDCGZLW-CVEARBPZSA-N 0 3 270.380 2.012 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)c1cccc(C#N)c1[N+](=O)[O-] ZINC000450334085 395570843 /nfs/dbraw/zinc/57/08/43/395570843.db2.gz RJWLQGGBQKGMMR-GFCCVEGCSA-N 0 3 288.351 2.244 20 30 CEEDHN CC#CCCNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000571767075 395584784 /nfs/dbraw/zinc/58/47/84/395584784.db2.gz SWUUOEYQHKMMRM-GOSISDBHSA-N 0 3 299.418 2.364 20 30 CEEDHN N#Cc1ccc(OCCN2CCC[C@@]3(CCOC3)C2)cc1 ZINC000451903502 395625885 /nfs/dbraw/zinc/62/58/85/395625885.db2.gz QHHXLKHNAXBMHH-QGZVFWFLSA-N 0 3 286.375 2.440 20 30 CEEDHN CON1CCC(N(C)Cc2cc(C#N)cs2)CC1 ZINC000453616277 395628283 /nfs/dbraw/zinc/62/82/83/395628283.db2.gz GHUJOBKSFWHBHN-UHFFFAOYSA-N 0 3 265.382 2.077 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)NC(C)(C)CN(C)C ZINC000454999721 395629989 /nfs/dbraw/zinc/62/99/89/395629989.db2.gz MMCMUIUYOXNJAR-UHFFFAOYSA-N 0 3 274.368 2.328 20 30 CEEDHN Cc1nn(C)c(N2CCN(C[C@H]3CC=CCC3)CC2)c1C#N ZINC000471805179 395666936 /nfs/dbraw/zinc/66/69/36/395666936.db2.gz PVACTJQPUOOMJZ-HNNXBMFYSA-N 0 3 299.422 2.079 20 30 CEEDHN Cc1nc(N(CCN(C)C)Cc2ccccn2)ccc1C#N ZINC000488078083 395667945 /nfs/dbraw/zinc/66/79/45/395667945.db2.gz HZFDPCJRLMEIPR-UHFFFAOYSA-N 0 3 295.390 2.225 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCCC2(CCCC2)C1 ZINC000491626895 395670149 /nfs/dbraw/zinc/67/01/49/395670149.db2.gz JINOFKAKMZTMGG-UHFFFAOYSA-N 0 3 291.439 2.307 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C\c1cccc(C#N)c1 ZINC000492123815 395670921 /nfs/dbraw/zinc/67/09/21/395670921.db2.gz CPTCZOODXPJUEU-SOIKEBEJSA-N 0 3 295.386 2.170 20 30 CEEDHN CC(C)[C@@H]1CN(C(=O)/C=C\c2ccc(C#N)cc2)CCN1C ZINC000493376876 395671429 /nfs/dbraw/zinc/67/14/29/395671429.db2.gz AMJWOCBOFHPPQA-JJEJIETFSA-N 0 3 297.402 2.370 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(CCC)[C@H]1CCN(C)C1)OCC ZINC000648997939 396037851 /nfs/dbraw/zinc/03/78/51/396037851.db2.gz AJZOFXUGZVGHMF-GJZGRUSLSA-N 0 3 282.428 2.300 20 30 CEEDHN C=C(C)[C@H](CO)N1CC=C(c2ccc(O)cc2)CC1 ZINC000649230906 396097293 /nfs/dbraw/zinc/09/72/93/396097293.db2.gz ZVJJZKSDRXPVIP-INIZCTEOSA-N 0 3 259.349 2.418 20 30 CEEDHN C=CCCCCN1CCN(C2CCOCC2)CC1 ZINC000649337006 396123518 /nfs/dbraw/zinc/12/35/18/396123518.db2.gz FBCAGHKAUDEBOG-UHFFFAOYSA-N 0 3 252.402 2.139 20 30 CEEDHN C=CCOCCNCc1cnn(-c2ccccc2C)c1 ZINC000647200304 396438327 /nfs/dbraw/zinc/43/83/27/396438327.db2.gz YHQHAKBILWYXRD-UHFFFAOYSA-N 0 3 271.364 2.473 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1ccccc1SC ZINC000491523427 400592162 /nfs/dbraw/zinc/59/21/62/400592162.db2.gz FALBSVVKEJDTPB-UHFFFAOYSA-N 0 3 290.432 2.022 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000335956374 289236082 /nfs/dbraw/zinc/23/60/82/289236082.db2.gz LZTZIZXKOLKOKI-BXKDBHETSA-N 0 3 262.284 2.315 20 30 CEEDHN C[C@H](C(=O)N1C[C@H]2CCCN2C[C@@H]1C)c1cccc(C#N)c1 ZINC000360188564 155238166 /nfs/dbraw/zinc/23/81/66/155238166.db2.gz MSDXEIMUHGETGC-GRDNDAEWSA-N 0 3 297.402 2.357 20 30 CEEDHN CCCN(CCN(C)C)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000360381546 155286160 /nfs/dbraw/zinc/28/61/60/155286160.db2.gz ZQGXTCYCAACMLX-CQSZACIVSA-N 0 3 287.407 2.462 20 30 CEEDHN C[C@H](N[C@H](CO)C1CCOCC1)c1ccc(C#N)cc1F ZINC000360837067 155384792 /nfs/dbraw/zinc/38/47/92/155384792.db2.gz VETWICXKVZPQPK-MEDUHNTESA-N 0 3 292.354 2.135 20 30 CEEDHN Cn1cc(CNC[C@@]2(O)CCCC(C)(C)C2)cc1C#N ZINC000359688093 155109669 /nfs/dbraw/zinc/10/96/69/155109669.db2.gz QLSZPSBQMHWLPA-MRXNPFEDSA-N 0 3 275.396 2.318 20 30 CEEDHN N#Cc1cnccc1N1CCC[C@@H](N2CCCCC2)C1 ZINC000373465940 156863076 /nfs/dbraw/zinc/86/30/76/156863076.db2.gz NFHSITDCRYTSRS-OAHLLOKOSA-N 0 3 270.380 2.408 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3ccccc3C#N)C[C@H]21 ZINC000375023419 157037898 /nfs/dbraw/zinc/03/78/98/157037898.db2.gz UOYWSZCOOLPKQD-RUBBHVMPSA-N 0 3 295.386 2.124 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2ccncc2C#N)CN1Cc1ccccc1 ZINC000375389361 157089843 /nfs/dbraw/zinc/08/98/43/157089843.db2.gz GDWPLYOXWVJVGT-RHSMWYFYSA-N 0 3 292.386 2.450 20 30 CEEDHN COc1ccc(CN2CCC23CCOCC3)cc1C#N ZINC000376499799 157233167 /nfs/dbraw/zinc/23/31/67/157233167.db2.gz HMTRMPDERFDWEE-UHFFFAOYSA-N 0 3 272.348 2.322 20 30 CEEDHN CO[C@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000170820836 165044103 /nfs/dbraw/zinc/04/41/03/165044103.db2.gz QAINEOLIHNMIBI-LBPRGKRZSA-N 0 3 293.392 2.059 20 30 CEEDHN CCc1nnc(N2CCCN(C3CC3)CC2)c(C#N)c1CC ZINC000176956963 165179702 /nfs/dbraw/zinc/17/97/02/165179702.db2.gz PVSFSVBITVCBSH-UHFFFAOYSA-N 0 3 299.422 2.148 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC2(CC1)OCCO2 ZINC000187391935 287141681 /nfs/dbraw/zinc/14/16/81/287141681.db2.gz WPUIAJSXYSBYDL-ZDUSSCGKSA-N 0 3 272.348 2.458 20 30 CEEDHN C[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)N(C)C ZINC000285273747 196238204 /nfs/dbraw/zinc/23/82/04/196238204.db2.gz TVSSFOPSUJNZJT-LLVKDONJSA-N 0 3 291.370 2.041 20 30 CEEDHN C[C@H](NC[C@H]1CCCO1)c1ccc(OCC#N)cc1 ZINC000037215125 173035334 /nfs/dbraw/zinc/03/53/34/173035334.db2.gz FWRBFDARFQFBHD-SWLSCSKDSA-N 0 3 260.337 2.419 20 30 CEEDHN C[C@H](Cn1cccn1)N[C@H](C)c1cccc(C#N)c1 ZINC000037320037 173120338 /nfs/dbraw/zinc/12/03/38/173120338.db2.gz HTJLCCBHDDGHAT-CHWSQXEVSA-N 0 3 254.337 2.494 20 30 CEEDHN C=C(C)[C@H](CO)N(C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000653849463 414758559 /nfs/dbraw/zinc/75/85/59/414758559.db2.gz BMUDLCUSTVYTFS-NSHDSACASA-N 0 3 285.290 2.377 20 30 CEEDHN C=C[C@H](CC(=O)Nc1nn(C)c(C)c1CN)c1ccccc1 ZINC000662836169 414765967 /nfs/dbraw/zinc/76/59/67/414765967.db2.gz WBDXCMZWCHZPHE-CYBMUJFWSA-N 0 3 298.390 2.486 20 30 CEEDHN C=CCCn1cc(CNC[C@@H](C)N2CCCC[C@H]2C)nn1 ZINC000657308079 414848330 /nfs/dbraw/zinc/84/83/30/414848330.db2.gz MSGZJPMDWOJIFS-HUUCEWRRSA-N 0 3 291.443 2.207 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N(C)CCN1CCCCC1)OCC ZINC000652990147 414861236 /nfs/dbraw/zinc/86/12/36/414861236.db2.gz HYFLVTQWBRDRPL-OAHLLOKOSA-N 0 3 282.428 2.302 20 30 CEEDHN C=CC[C@H](CO)NCc1cc(F)ccc1OC(F)F ZINC000657434413 414933816 /nfs/dbraw/zinc/93/38/16/414933816.db2.gz CVJINJDFNSZCGT-LLVKDONJSA-N 0 3 275.270 2.454 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC2(C)CC=CC2)CC1 ZINC000654431474 414934172 /nfs/dbraw/zinc/93/41/72/414934172.db2.gz MYMMQTKVCOBSNQ-UHFFFAOYSA-N 0 3 277.412 2.435 20 30 CEEDHN C=CCCCN[C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660600818 414893023 /nfs/dbraw/zinc/89/30/23/414893023.db2.gz JTRBYWCWWZUMKG-AWEZNQCLSA-N 0 3 263.385 2.180 20 30 CEEDHN C=CCCCN[C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660600819 414894120 /nfs/dbraw/zinc/89/41/20/414894120.db2.gz JTRBYWCWWZUMKG-CQSZACIVSA-N 0 3 263.385 2.180 20 30 CEEDHN C=CC[C@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654729115 415020206 /nfs/dbraw/zinc/02/02/06/415020206.db2.gz PEUHUHFZAKGLPY-MJBXVCDLSA-N 0 3 265.401 2.267 20 30 CEEDHN CCN(C(=O)NCC#Cc1ccccc1)[C@@H]1CCN(CC)C1 ZINC000663547558 414986509 /nfs/dbraw/zinc/98/65/09/414986509.db2.gz HNPCMIMVPMFSTA-QGZVFWFLSA-N 0 3 299.418 2.164 20 30 CEEDHN C=CCN(C(=O)N[C@H](C)CN1CCCCC1)[C@@H](C)COC ZINC000663640068 415001827 /nfs/dbraw/zinc/00/18/27/415001827.db2.gz BJLNHEUYLQAKKM-CABCVRRESA-N 0 3 297.443 2.093 20 30 CEEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc2n1CCC2 ZINC000657830839 415096436 /nfs/dbraw/zinc/09/64/36/415096436.db2.gz PHERRRNDYSOHGZ-STQMWFEESA-N 0 3 260.385 2.449 20 30 CEEDHN C=CCOCCN1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000653710720 415080362 /nfs/dbraw/zinc/08/03/62/415080362.db2.gz YBJGEHZSMLUQHK-AWEZNQCLSA-N 0 3 263.385 2.048 20 30 CEEDHN C=CCCn1cc(CN[C@H](C(C)C)[C@H](CO)C(C)C)nn1 ZINC000653747828 415091712 /nfs/dbraw/zinc/09/17/12/415091712.db2.gz MOOLTOHGEQUXAS-HZPDHXFCSA-N 0 3 294.443 2.233 20 30 CEEDHN C=CCc1cc(CN[C@H](C)C2(CO)CC2)cc(OC)c1O ZINC000657604297 415021719 /nfs/dbraw/zinc/02/17/19/415021719.db2.gz USXMCIBHBSDDKX-GFCCVEGCSA-N 0 3 291.391 2.380 20 30 CEEDHN C=CCCN(C)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654732776 415022488 /nfs/dbraw/zinc/02/24/88/415022488.db2.gz GFNMTQQVXAWULM-UONOGXRCSA-N 0 3 265.401 2.221 20 30 CEEDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCC#Cc2ccccc2)C1 ZINC000661218543 415141468 /nfs/dbraw/zinc/14/14/68/415141468.db2.gz ZRFNZXCEMGNSOX-KURKYZTESA-N 0 3 287.403 2.194 20 30 CEEDHN C=CCOCCCN[C@H](c1cccs1)c1nnc[nH]1 ZINC000658205539 415256846 /nfs/dbraw/zinc/25/68/46/415256846.db2.gz ILLSLDCZOSKHGQ-GFCCVEGCSA-N 0 3 278.381 2.138 20 30 CEEDHN C=CC[C@H]1CCCN(CC[C@H]2CCS(=O)(=O)C2)C1 ZINC000661381528 415230425 /nfs/dbraw/zinc/23/04/25/415230425.db2.gz MRKPSPQNIVDYLJ-KBPBESRZSA-N 0 3 271.426 2.099 20 30 CEEDHN C=CCCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000661570281 415332592 /nfs/dbraw/zinc/33/25/92/415332592.db2.gz LUXHPOULLYOBPQ-UHFFFAOYSA-N 0 3 288.395 2.173 20 30 CEEDHN C[C@@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)[C@H]1C ZINC000357712479 533680475 /nfs/dbraw/zinc/68/04/75/533680475.db2.gz BRKUWICYDFDMSH-KGLIPLIRSA-N 0 3 285.391 2.295 20 30 CEEDHN C=CCC[C@@H](O)CN1Cc2cnn(C)c2CC(C)(C)C1 ZINC000664874282 415508557 /nfs/dbraw/zinc/50/85/57/415508557.db2.gz JEXYLPSNJWPLCX-CQSZACIVSA-N 0 3 277.412 2.132 20 30 CEEDHN C=CCC1(NC(=O)NC[C@H](C)N(C)C)CCCC1 ZINC000665043251 415562728 /nfs/dbraw/zinc/56/27/28/415562728.db2.gz GLPDBZOPHKHMGK-LBPRGKRZSA-N 0 3 253.390 2.125 20 30 CEEDHN C=C(CC)CNC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000665062485 415568689 /nfs/dbraw/zinc/56/86/89/415568689.db2.gz DXXDQIXMFHNEPZ-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CCNC2(CCCCC2)C1 ZINC000656364290 415681793 /nfs/dbraw/zinc/68/17/93/415681793.db2.gz QYFJRTTXUSSTTC-AWEZNQCLSA-N 0 3 280.412 2.102 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCCN(C)CC1 ZINC000665398089 415726859 /nfs/dbraw/zinc/72/68/59/415726859.db2.gz YKWQGRFYGVJHTD-HUUCEWRRSA-N 0 3 279.428 2.468 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)CCN1CCCC#N ZINC000076802427 177099847 /nfs/dbraw/zinc/09/98/47/177099847.db2.gz VJJVLTYDHLKZMP-HNNXBMFYSA-N 0 3 257.381 2.496 20 30 CEEDHN N#CC(C(=O)c1cccc2c1OCO2)c1ccccn1 ZINC000077432537 177268669 /nfs/dbraw/zinc/26/86/69/177268669.db2.gz RZQOVMKPDVBJFC-LLVKDONJSA-N 0 3 266.256 2.300 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2C)CC1 ZINC000078545579 177352279 /nfs/dbraw/zinc/35/22/79/177352279.db2.gz RPCQXPPADMPUKX-CYBMUJFWSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000078696587 177373043 /nfs/dbraw/zinc/37/30/43/177373043.db2.gz BWMSQNLFQVFSAU-MRXNPFEDSA-N 0 3 272.392 2.304 20 30 CEEDHN N#Cc1ccc(C(F)(F)F)nc1NCCN1CCCC1 ZINC000078833049 177395783 /nfs/dbraw/zinc/39/57/83/177395783.db2.gz BTDPITMEBWVEEH-UHFFFAOYSA-N 0 3 284.285 2.480 20 30 CEEDHN Cn1nc2c(c1CN[C@H]1CC[C@@H](C#N)C1)CCCC2 ZINC000334604889 225083209 /nfs/dbraw/zinc/08/32/09/225083209.db2.gz IVSUCUBCXFHFNZ-NEPJUHHUSA-N 0 3 258.369 2.081 20 30 CEEDHN CC(C#N)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000347138499 226056836 /nfs/dbraw/zinc/05/68/36/226056836.db2.gz RBNNQNNFXADURN-GFCCVEGCSA-N 0 3 283.331 2.088 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1CCC#N ZINC000347601424 226211820 /nfs/dbraw/zinc/21/18/20/226211820.db2.gz LZPBZVROAUUWKT-CABCVRRESA-N 0 3 257.381 2.495 20 30 CEEDHN Cc1cccn2c(CN[C@@H]3CC[C@H](C#N)C3)cnc12 ZINC000335284393 226227079 /nfs/dbraw/zinc/22/70/79/226227079.db2.gz AIYGRCLKWKGVLO-QWHCGFSZSA-N 0 3 254.337 2.425 20 30 CEEDHN COCc1ccccc1C(=O)C(C#N)c1ccncn1 ZINC000354482235 227013475 /nfs/dbraw/zinc/01/34/75/227013475.db2.gz ZHGIBIUPQJEBMX-ZDUSSCGKSA-N 0 3 267.288 2.113 20 30 CEEDHN CC(C#N)C(=O)N1CCc2c(F)ccc(F)c2C1 ZINC000336544075 227108314 /nfs/dbraw/zinc/10/83/14/227108314.db2.gz VYTXMQNOAXOQQQ-QMMMGPOBSA-N 0 3 250.248 2.009 20 30 CEEDHN CCc1noc(C)c1C(=O)NCC1=CCN(C)CC1 ZINC000329174109 227338113 /nfs/dbraw/zinc/33/81/13/227338113.db2.gz AVXVIPOIDBTLBS-UHFFFAOYSA-N 0 3 263.341 2.112 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@H](C)CC(C)(C)C1 ZINC000336051963 228182719 /nfs/dbraw/zinc/18/27/19/228182719.db2.gz CMMXLRKADRBDBI-CHWSQXEVSA-N 0 3 277.412 2.305 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCN(Cc3ccccc3)CC2)C1 ZINC000336120552 228192385 /nfs/dbraw/zinc/19/23/85/228192385.db2.gz APYNMUVAOAPFOZ-SJORKVTESA-N 0 3 269.392 2.496 20 30 CEEDHN N#CC(C(=O)Nc1nc2ccccc2s1)c1ccncn1 ZINC000352314674 228219540 /nfs/dbraw/zinc/21/95/40/228219540.db2.gz QZRVPWKYMIVQCB-VIFPVBQESA-N 0 3 295.327 2.332 20 30 CEEDHN C=CCCC(C)(C)NC(=O)Nc1ccnn1CCN(C)C ZINC000667151349 419564970 /nfs/dbraw/zinc/56/49/70/419564970.db2.gz IJODWBLVXIPNNO-UHFFFAOYSA-N 0 3 293.415 2.311 20 30 CEEDHN C=C[C@@H](CO)N[C@@H]1CCCc2nc(Cl)ccc21 ZINC000297367280 260119701 /nfs/dbraw/zinc/11/97/01/260119701.db2.gz QGGTZCFFQYALLV-GXSJLCMTSA-N 0 3 252.745 2.249 20 30 CEEDHN C[C@H]1OCC[C@]1(O)CN(CCCC#N)Cc1ccccc1 ZINC000447916839 260165356 /nfs/dbraw/zinc/16/53/56/260165356.db2.gz PUMYOWAFXOXGRF-WBVHZDCISA-N 0 3 288.391 2.332 20 30 CEEDHN C=CCN(CCc1ccco1)Cc1ccnc(N)c1 ZINC000298978711 260169806 /nfs/dbraw/zinc/16/98/06/260169806.db2.gz PKPKDFASMSTDSS-UHFFFAOYSA-N 0 3 257.337 2.488 20 30 CEEDHN C[C@@H](C(=O)NCC#Cc1ccccc1)N1[C@H](C)CC[C@H]1C ZINC000299598862 260189434 /nfs/dbraw/zinc/18/94/34/260189434.db2.gz DXZJJHAWMMQJRB-OAGGEKHMSA-N 0 3 284.403 2.416 20 30 CEEDHN C#C[C@H](C)N(C)CCC(=O)N1CCCc2ccccc21 ZINC000491073102 261318812 /nfs/dbraw/zinc/31/88/12/261318812.db2.gz XTMORVDMZYMJOB-AWEZNQCLSA-N 0 3 270.376 2.309 20 30 CEEDHN C#CC(C)(C)N(C)CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000491125661 261341980 /nfs/dbraw/zinc/34/19/80/261341980.db2.gz GGMOYZQZTPPOAW-UHFFFAOYSA-N 0 3 287.407 2.425 20 30 CEEDHN C=CCC[C@@H](O)CN1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000363877743 261994724 /nfs/dbraw/zinc/99/47/24/261994724.db2.gz FQWGWYOFXCKBJO-HUUCEWRRSA-N 0 3 290.407 2.143 20 30 CEEDHN C#CCCCC(=O)N(C)C1CCN(c2ccncc2)CC1 ZINC000365405907 262364580 /nfs/dbraw/zinc/36/45/80/262364580.db2.gz MBBSVFHWLIDDLH-UHFFFAOYSA-N 0 3 285.391 2.312 20 30 CEEDHN COc1ccc(C2(NCCOCCC#N)CC2)cc1 ZINC000339065441 262592174 /nfs/dbraw/zinc/59/21/74/262592174.db2.gz FANXHUYIPCWSJU-UHFFFAOYSA-N 0 3 260.337 2.204 20 30 CEEDHN C=CCOCCN1CCC(c2noc(C3CC3)n2)CC1 ZINC000339097675 262598456 /nfs/dbraw/zinc/59/84/56/262598456.db2.gz ZVPVBDDOGLBFIG-UHFFFAOYSA-N 0 3 277.368 2.329 20 30 CEEDHN COCCN1CC[C@@H](N[C@@H](CCC#N)c2ccccc2)C1 ZINC000273231973 263014083 /nfs/dbraw/zinc/01/40/83/263014083.db2.gz XDEBIAONVUJDGF-SJORKVTESA-N 0 3 287.407 2.342 20 30 CEEDHN CCCC[C@@H](ON=C(C)C)C(=O)NCC1=CCN(C)CC1 ZINC000273637925 263018793 /nfs/dbraw/zinc/01/87/93/263018793.db2.gz UCBFKYIYRMSBAX-OAHLLOKOSA-N 0 3 295.427 2.336 20 30 CEEDHN CC(C)=CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279922626 263058206 /nfs/dbraw/zinc/05/82/06/263058206.db2.gz FXMPKHZCVHCBNW-HNNXBMFYSA-N 0 3 267.332 2.323 20 30 CEEDHN C[C@H]1CCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280256224 263060037 /nfs/dbraw/zinc/06/00/37/263060037.db2.gz CDVQIXQBYISGTD-WFASDCNBSA-N 0 3 267.332 2.251 20 30 CEEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H]1C ZINC000280621435 263063430 /nfs/dbraw/zinc/06/34/30/263063430.db2.gz YEZDDFZNSYQISM-IOASZLSFSA-N 0 3 281.359 2.497 20 30 CEEDHN C=CCCN1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000280926531 263065063 /nfs/dbraw/zinc/06/50/63/263065063.db2.gz UQGGLLAVCCVWGY-SJORKVTESA-N 0 3 272.392 2.148 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@@H](c2cccs2)C[C@@H]1C ZINC000366616573 263076643 /nfs/dbraw/zinc/07/66/43/263076643.db2.gz BACSXJNPOKBTOT-AVGNSLFASA-N 0 3 276.405 2.064 20 30 CEEDHN N#CC1CCN(C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283485483 263083050 /nfs/dbraw/zinc/08/30/50/263083050.db2.gz JJHLMAXCLRUNSF-INIZCTEOSA-N 0 3 297.402 2.384 20 30 CEEDHN C[C@H](CO)N(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000289393016 263109964 /nfs/dbraw/zinc/10/99/64/263109964.db2.gz FHSLHKRVYAEITR-CQSZACIVSA-N 0 3 298.390 2.276 20 30 CEEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000289614732 263110990 /nfs/dbraw/zinc/11/09/90/263110990.db2.gz DGJUWYWITZDMEA-OCCSQVGLSA-N 0 3 257.337 2.070 20 30 CEEDHN CN(CCC(C)(C)C#N)C[C@@H](O)Cc1ccccc1 ZINC000293474002 263141223 /nfs/dbraw/zinc/14/12/23/263141223.db2.gz XOULACMNAPYRDV-HNNXBMFYSA-N 0 3 260.381 2.462 20 30 CEEDHN C=CCN(CCC#N)C(=O)[C@@H]1CCCN1C1CCCC1 ZINC000293683498 263146867 /nfs/dbraw/zinc/14/68/67/263146867.db2.gz HJBICHWKAWOPGK-HNNXBMFYSA-N 0 3 275.396 2.322 20 30 CEEDHN N#C[C@H]1CCC[C@H](N[C@@H](CC(N)=O)c2ccccc2)C1 ZINC000293705241 263147313 /nfs/dbraw/zinc/14/73/13/263147313.db2.gz RYAQDQHPLFDCKB-QEJZJMRPSA-N 0 3 271.364 2.275 20 30 CEEDHN N#CCCOCCN1CCC(N2CCc3ccccc32)CC1 ZINC000294156758 263156763 /nfs/dbraw/zinc/15/67/63/263156763.db2.gz PCWHOQCAVWRPIK-UHFFFAOYSA-N 0 3 299.418 2.444 20 30 CEEDHN CS[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000295536118 263179249 /nfs/dbraw/zinc/17/92/49/263179249.db2.gz KJHZCJUUVHTLCX-LSDHHAIUSA-N 0 3 299.399 2.204 20 30 CEEDHN C=CCC(C)(C)CNC(=O)NCC1=CCN(C)CC1 ZINC000297534919 263206487 /nfs/dbraw/zinc/20/64/87/263206487.db2.gz YGMRXTVFOKYJPY-UHFFFAOYSA-N 0 3 265.401 2.150 20 30 CEEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(C(=O)OC)cs1 ZINC000353621269 263272466 /nfs/dbraw/zinc/27/24/66/263272466.db2.gz LKYXTUDJHWGUMK-GHMZBOCLSA-N 0 3 283.393 2.370 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1C[C@@](C)(OC)C1(C)C ZINC000340847073 263306320 /nfs/dbraw/zinc/30/63/20/263306320.db2.gz GIPMXRLEGJRSTQ-GRDNDAEWSA-N 0 3 294.439 2.369 20 30 CEEDHN C=CC[C@@H](CO)CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000340894752 263312826 /nfs/dbraw/zinc/31/28/26/263312826.db2.gz YLPXIXNWZMPISW-CQSZACIVSA-N 0 3 291.395 2.054 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1ccccc1NC(=O)[C@H](C)C#N ZINC000341475083 263340972 /nfs/dbraw/zinc/34/09/72/263340972.db2.gz FHYYKQOJFCMPKH-UTUOFQBUSA-N 0 3 298.346 2.122 20 30 CEEDHN C[C@H](O)C(C)(C)NC(=O)c1cccc(CN(C)C)c1 ZINC000330632773 264001000 /nfs/dbraw/zinc/00/10/00/264001000.db2.gz ISNDOBKDLHPFEA-NSHDSACASA-N 0 3 264.369 2.212 20 30 CEEDHN C[C@H](CNC(=O)NC[C@@H](O)C(C)(C)C)N1CCC[C@@H](C)C1 ZINC000330806453 264043527 /nfs/dbraw/zinc/04/35/27/264043527.db2.gz KBXHPQDBUMWNIE-MGPQQGTHSA-N 0 3 299.459 2.017 20 30 CEEDHN CC(=O)NC[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000330864649 264057362 /nfs/dbraw/zinc/05/73/62/264057362.db2.gz YMHJPNNLKISUBT-KRWDZBQOSA-N 0 3 285.391 2.101 20 30 CEEDHN C[C@@H]1COCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000330940868 264083528 /nfs/dbraw/zinc/08/35/28/264083528.db2.gz CQGPCLXHTIAZPJ-UKRRQHHQSA-N 0 3 272.348 2.006 20 30 CEEDHN Cc1noc(C)c1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000331080701 264116560 /nfs/dbraw/zinc/11/65/60/264116560.db2.gz ADFRJACDDFXJFI-CYBMUJFWSA-N 0 3 283.397 2.033 20 30 CEEDHN CCOc1nccc(C)c1C(=O)NC1CCN(C)CC1 ZINC000331208068 264161902 /nfs/dbraw/zinc/16/19/02/264161902.db2.gz FNEUDQHVVUXCCR-UHFFFAOYSA-N 0 3 277.368 2.188 20 30 CEEDHN Cc1cc(F)cc(C(=O)NC[C@@H]2CCCCN2CCO)c1 ZINC000331318196 264189275 /nfs/dbraw/zinc/18/92/75/264189275.db2.gz JWZQRBISJZCYKK-HNNXBMFYSA-N 0 3 294.370 2.286 20 30 CEEDHN Cc1cccc(C(=O)NC[C@@H]2CCCCN2CCO)c1C ZINC000331301539 264199192 /nfs/dbraw/zinc/19/91/92/264199192.db2.gz FAJYTWWWQLPZFJ-HNNXBMFYSA-N 0 3 290.407 2.455 20 30 CEEDHN C=CCCCN(C)CC(=O)NCc1ccccc1OC ZINC000076735547 264342947 /nfs/dbraw/zinc/34/29/47/264342947.db2.gz ODPSVSHYVSSAAV-UHFFFAOYSA-N 0 3 276.380 2.209 20 30 CEEDHN C=C(CC)CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000456814421 264350425 /nfs/dbraw/zinc/35/04/25/264350425.db2.gz UFFAYNVVKZHYCN-AWEZNQCLSA-N 0 3 250.386 2.476 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(OC)n1 ZINC000280546595 264453713 /nfs/dbraw/zinc/45/37/13/264453713.db2.gz DJFNPSDCZXRNSM-SWLSCSKDSA-N 0 3 262.353 2.161 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@@H](C=C)c1ccccc1 ZINC000293930547 264988725 /nfs/dbraw/zinc/98/87/25/264988725.db2.gz HWDBBSZEIXHCHX-MRXNPFEDSA-N 0 3 284.403 2.418 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cc(OC)ccc1OC ZINC000320834559 265040894 /nfs/dbraw/zinc/04/08/94/265040894.db2.gz ZYWACWNGWFXMTC-ZDUSSCGKSA-N 0 3 265.353 2.121 20 30 CEEDHN C=CCC[C@H](CO)NCc1cc(OC)ccc1OC ZINC000320834558 265040904 /nfs/dbraw/zinc/04/09/04/265040904.db2.gz ZYWACWNGWFXMTC-CYBMUJFWSA-N 0 3 265.353 2.121 20 30 CEEDHN C=C[C@](C)(O)CC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000356494696 266125702 /nfs/dbraw/zinc/12/57/02/266125702.db2.gz APPKJXXVEVXGJC-XEZPLFJOSA-N 0 3 294.395 2.152 20 30 CEEDHN C=CCCC1(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)CC1 ZINC000356532697 266131467 /nfs/dbraw/zinc/13/14/67/266131467.db2.gz LUUFDUXJNILJRC-QWHCGFSZSA-N 0 3 282.453 2.237 20 30 CEEDHN C=CCCC1(C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000356783199 266175240 /nfs/dbraw/zinc/17/52/40/266175240.db2.gz QJELIAHDOXHKAF-UHFFFAOYSA-N 0 3 250.386 2.285 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000356903680 266208479 /nfs/dbraw/zinc/20/84/79/266208479.db2.gz BDVGOQVCCCFNSU-WDSKDSINSA-N 0 3 263.244 2.022 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H](C)C1CCC1 ZINC000357029610 266235532 /nfs/dbraw/zinc/23/55/32/266235532.db2.gz DGPSDRFPZAJGON-CHWSQXEVSA-N 0 3 265.401 2.115 20 30 CEEDHN C#CCN[C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000367252135 266240686 /nfs/dbraw/zinc/24/06/86/266240686.db2.gz LHOGPFLFCZKCNW-IRXDYDNUSA-N 0 3 270.376 2.196 20 30 CEEDHN CCN(CCCNC(=O)C(C)C#N)c1ccccc1 ZINC000357798550 266364907 /nfs/dbraw/zinc/36/49/07/266364907.db2.gz LYBMWIFXHURGSY-ZDUSSCGKSA-N 0 3 259.353 2.179 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccccc1OC(F)(F)F ZINC000362569070 267008639 /nfs/dbraw/zinc/00/86/39/267008639.db2.gz LWXZYOHSNQGGMS-SECBINFHSA-N 0 3 286.253 2.404 20 30 CEEDHN CCCN1CCC[C@H]1CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000450535489 267018971 /nfs/dbraw/zinc/01/89/71/267018971.db2.gz NNEXJCBMHNATDJ-LBPRGKRZSA-N 0 3 289.339 2.148 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000362628648 267026150 /nfs/dbraw/zinc/02/61/50/267026150.db2.gz VWIWMTJHGOQQES-KKUMJFAQSA-N 0 3 282.428 2.060 20 30 CEEDHN C=CCNC(=O)CN1C[C@@H](c2cccs2)C[C@@H]1C ZINC000363258735 267082983 /nfs/dbraw/zinc/08/29/83/267082983.db2.gz INMOZVZYCCJTAN-RYUDHWBXSA-N 0 3 264.394 2.228 20 30 CEEDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCCC#N)C[C@@H]2C1 ZINC000367978295 267131902 /nfs/dbraw/zinc/13/19/02/267131902.db2.gz UUHNNIJEKYDIJQ-UONOGXRCSA-N 0 3 293.411 2.479 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(C)c2)[C@@H]1OC ZINC000446759562 267149901 /nfs/dbraw/zinc/14/99/01/267149901.db2.gz GTWXCTLFQFNLDL-OAGGEKHMSA-N 0 3 274.364 2.149 20 30 CEEDHN CC[C@@H](C)N1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000451840060 267184878 /nfs/dbraw/zinc/18/48/78/267184878.db2.gz KCNRIHLQIWPGSJ-CQSZACIVSA-N 0 3 287.407 2.483 20 30 CEEDHN CC[C@@H](C)N[C@H](CNc1nccc(C#N)n1)c1ccco1 ZINC000450527961 267186168 /nfs/dbraw/zinc/18/61/68/267186168.db2.gz IYWUBTOSJHHBBX-DGCLKSJQSA-N 0 3 285.351 2.483 20 30 CEEDHN CC[C@H](NC[C@@H]1COCCO1)c1ccc(C#N)cc1 ZINC000447529351 267222308 /nfs/dbraw/zinc/22/23/08/267222308.db2.gz LTVYYIANGCYESM-CABCVRRESA-N 0 3 260.337 2.014 20 30 CEEDHN C#CCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000369295686 267233402 /nfs/dbraw/zinc/23/34/02/267233402.db2.gz WWPDBCXSRQXABQ-HNNXBMFYSA-N 0 3 288.366 2.177 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1C[C@H]2CCCCCC[C@H]21 ZINC000369452852 267243295 /nfs/dbraw/zinc/24/32/95/267243295.db2.gz RBOBYJLVTLAQEZ-BFHYXJOUSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCCCC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000369675074 267258328 /nfs/dbraw/zinc/25/83/28/267258328.db2.gz COUNGMWCCFYCKZ-AWEZNQCLSA-N 0 3 280.412 2.054 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)/C=C/c1cccc(C#N)c1 ZINC000493843029 267279178 /nfs/dbraw/zinc/27/91/78/267279178.db2.gz IXLCTYQMBJQRDL-CMDGGOBGSA-N 0 3 271.364 2.028 20 30 CEEDHN CN(C)C[C@H]1CCCCN1C(=O)Cc1cccc(C#N)c1 ZINC000530674695 267281925 /nfs/dbraw/zinc/28/19/25/267281925.db2.gz DZNFWBYXJKOPII-MRXNPFEDSA-N 0 3 285.391 2.043 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)/C=C\c1cccc(C#N)c1 ZINC000493135817 267308918 /nfs/dbraw/zinc/30/89/18/267308918.db2.gz CMWNTQDWGCZGGY-HLRDLLSLSA-N 0 3 283.375 2.124 20 30 CEEDHN CC(C)(C#N)CCN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000120059474 267354219 /nfs/dbraw/zinc/35/42/19/267354219.db2.gz SKGNBLPFSQNKJN-CQSZACIVSA-N 0 3 280.412 2.444 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000418151064 267375754 /nfs/dbraw/zinc/37/57/54/267375754.db2.gz SCWHJFRXTHLQSR-HRCADAONSA-N 0 3 287.407 2.477 20 30 CEEDHN COC(=O)[C@H]1CCN(Cc2ccc(C#N)c(C)c2)[C@@H]1C ZINC000489028714 267383802 /nfs/dbraw/zinc/38/38/02/267383802.db2.gz RENRJSQRZLLFBE-DOMZBBRYSA-N 0 3 272.348 2.250 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)Cc1cccc(C#N)c1 ZINC000531146906 267692537 /nfs/dbraw/zinc/69/25/37/267692537.db2.gz DCVDDRVJTJGUPI-AWEZNQCLSA-N 0 3 285.391 2.091 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000376909005 268028645 /nfs/dbraw/zinc/02/86/45/268028645.db2.gz AMPKMWUJEDEZDC-SCRDCRAPSA-N 0 3 291.420 2.062 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC[C@@H]1CCCN1CCc1ccccc1 ZINC000376921345 268030812 /nfs/dbraw/zinc/03/08/12/268030812.db2.gz DFTGIEKYSTZEEA-WBVHZDCISA-N 0 3 299.418 2.014 20 30 CEEDHN CCCN(C)CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425133078 271126104 /nfs/dbraw/zinc/12/61/04/271126104.db2.gz SACFETLMWSJUPX-CYBMUJFWSA-N 0 3 273.380 2.419 20 30 CEEDHN Cc1cc(N2CCN(C)[C@H](C(C)C)C2)c(C#N)cn1 ZINC000425261460 271148502 /nfs/dbraw/zinc/14/85/02/271148502.db2.gz QFWJHGLZAKWBAP-HNNXBMFYSA-N 0 3 258.369 2.038 20 30 CEEDHN CN(C)C1CN(c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000159539427 273792652 /nfs/dbraw/zinc/79/26/52/273792652.db2.gz MWVSFKZOJPWGFE-UHFFFAOYSA-N 0 3 269.270 2.327 20 30 CEEDHN N#Cc1nc(N2CC[C@@H](N3CC=CC3)C2)ccc1Cl ZINC000266245743 274931001 /nfs/dbraw/zinc/93/10/01/274931001.db2.gz MBXAGSMSPNHFES-LLVKDONJSA-N 0 3 274.755 2.057 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@]1(C)CCOC1)C(C)C ZINC000347848734 276890964 /nfs/dbraw/zinc/89/09/64/276890964.db2.gz MPOIQRSOCKEYEJ-RDJZCZTQSA-N 0 3 294.439 2.228 20 30 CEEDHN CN1CCC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000264966194 277055189 /nfs/dbraw/zinc/05/51/89/277055189.db2.gz CCHMKELCPZIREA-MRXNPFEDSA-N 0 3 283.375 2.143 20 30 CEEDHN CC(C)(C)[C@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000331604722 277256575 /nfs/dbraw/zinc/25/65/75/277256575.db2.gz DNNKAITZDCWPHZ-CZUORRHYSA-N 0 3 277.412 2.305 20 30 CEEDHN CC(C)N1C[C@@H](N[C@H](C)c2ccc(C#N)cc2)CC1=O ZINC000271868204 277641370 /nfs/dbraw/zinc/64/13/70/277641370.db2.gz LZGDFBLMQZRMLL-DOMZBBRYSA-N 0 3 271.364 2.218 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000246607622 278306134 /nfs/dbraw/zinc/30/61/34/278306134.db2.gz GNXPJYLBNIYRPQ-WBVHZDCISA-N 0 3 299.418 2.273 20 30 CEEDHN CC[C@@H]1CCCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000117344743 280278830 /nfs/dbraw/zinc/27/88/30/280278830.db2.gz ROZZHGKUPATLKO-UONOGXRCSA-N 0 3 265.401 2.259 20 30 CEEDHN Cc1cnc(NC(=O)N2CCC[C@@H]2CN2CCCC2)o1 ZINC000330003788 281614694 /nfs/dbraw/zinc/61/46/94/281614694.db2.gz AOHRAOKACBXRSE-GFCCVEGCSA-N 0 3 278.356 2.089 20 30 CEEDHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(C#N)cc1 ZINC000368494168 290040785 /nfs/dbraw/zinc/04/07/85/290040785.db2.gz DSKYMTUDNOVAQV-XNJJOIOASA-N 0 3 283.375 2.266 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246385516 290219898 /nfs/dbraw/zinc/21/98/98/290219898.db2.gz NOMLKWABNXQNLP-QLFBSQMISA-N 0 3 287.407 2.006 20 30 CEEDHN COC[C@H](N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000278902029 293157446 /nfs/dbraw/zinc/15/74/46/293157446.db2.gz YOQTZIVWCGTDFP-RCBQFDQVSA-N 0 3 274.364 2.403 20 30 CEEDHN N#C[C@@]1(C(=O)NCCN2CCCCC2)CC12CCCC2 ZINC000333218572 303164909 /nfs/dbraw/zinc/16/49/09/303164909.db2.gz REUOQDUTPWMZQN-MRXNPFEDSA-N 0 3 275.396 2.063 20 30 CEEDHN Cc1ccccc1OC[C@H](O)CN[C@@H]1CC[C@H](C#N)C1 ZINC000580185455 327724778 /nfs/dbraw/zinc/72/47/78/327724778.db2.gz JBSADRWCPRGTEQ-RRFJBIMHSA-N 0 3 274.364 2.017 20 30 CEEDHN N#Cc1ccc(CNCCC(=O)NCc2ccccc2)s1 ZINC000176959057 312714221 /nfs/dbraw/zinc/71/42/21/312714221.db2.gz MXOXVVNYBHBCDQ-UHFFFAOYSA-N 0 3 299.399 2.416 20 30 CEEDHN CC[C@@H](NCCN1CCCC1=O)c1ccc(C#N)cc1 ZINC000564574316 313768585 /nfs/dbraw/zinc/76/85/85/313768585.db2.gz BEPKTHRUAYIPCB-OAHLLOKOSA-N 0 3 271.364 2.221 20 30 CEEDHN N#Cc1csc(CNC[C@@H]2CCOC3(CCC3)C2)n1 ZINC000567558064 313904464 /nfs/dbraw/zinc/90/44/64/313904464.db2.gz JPNILTCZVOILBS-LLVKDONJSA-N 0 3 277.393 2.454 20 30 CEEDHN CN(C)[C@@H]1CCOc2c(Nc3nccc(C#N)n3)cccc21 ZINC000570277599 314031792 /nfs/dbraw/zinc/03/17/92/314031792.db2.gz NVYUVIMGPIDDOB-CQSZACIVSA-N 0 3 295.346 2.477 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)nc1 ZINC000570341328 314035358 /nfs/dbraw/zinc/03/53/58/314035358.db2.gz GDHYGBKXDRAJNY-BZUAXINKSA-N 0 3 271.364 2.079 20 30 CEEDHN Cc1onc(CC(=O)Nc2ccccc2CN(C)C)c1C#N ZINC000571192493 314077346 /nfs/dbraw/zinc/07/73/46/314077346.db2.gz DVNOXMYIZNSBKS-UHFFFAOYSA-N 0 3 298.346 2.098 20 30 CEEDHN CC1(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000574137901 314188875 /nfs/dbraw/zinc/18/88/75/314188875.db2.gz ZLZJTJSDQYHEAW-CYBMUJFWSA-N 0 3 257.337 2.206 20 30 CEEDHN CN(C)C(=O)[C@H](Cc1ccccc1)N[C@@H]1CCC[C@H](C#N)C1 ZINC000185815197 327846013 /nfs/dbraw/zinc/84/60/13/327846013.db2.gz XKABADNVRGXCNT-BBWFWOEESA-N 0 3 299.418 2.358 20 30 CEEDHN CCN1CC[C@H]2OCCN(Cc3ccc(CC#N)cc3)[C@@H]2C1 ZINC000339392481 328009360 /nfs/dbraw/zinc/00/93/60/328009360.db2.gz HDUJJTOONHYQSQ-QZTJIDSGSA-N 0 3 299.418 2.048 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H]1CCC12CCCC2 ZINC000451468171 328144343 /nfs/dbraw/zinc/14/43/43/328144343.db2.gz KDEBTTAVEAEILF-ZFWWWQNUSA-N 0 3 277.412 2.353 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](C)[C@@H]1C ZINC000172864163 329139525 /nfs/dbraw/zinc/13/95/25/329139525.db2.gz RIANJFXGNDFYLY-RDBSUJKOSA-N 0 3 265.401 2.115 20 30 CEEDHN CN(C[C@H](O)COCc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC000278538020 328226788 /nfs/dbraw/zinc/22/67/88/328226788.db2.gz FZUAVBSNHJKYPB-ULQDDVLXSA-N 0 3 288.391 2.188 20 30 CEEDHN CN(C[C@@H]1COc2ccccc2O1)[C@@H]1CC[C@@H](C#N)C1 ZINC000280997750 328237630 /nfs/dbraw/zinc/23/76/30/328237630.db2.gz MHYPAJUCNCTHFP-MGPQQGTHSA-N 0 3 272.348 2.450 20 30 CEEDHN C=C(C)CN(C)C[C@@H](O)COc1ccc(OCC)cc1 ZINC000181274784 329228752 /nfs/dbraw/zinc/22/87/52/329228752.db2.gz VRQPMGPZVSSBEX-CQSZACIVSA-N 0 3 279.380 2.333 20 30 CEEDHN C[C@H](NC(=O)NCCCC#N)[C@@H](c1ccccc1)N(C)C ZINC000288296731 328252788 /nfs/dbraw/zinc/25/27/88/328252788.db2.gz TVMLVQJKCVEOMV-ZFWWWQNUSA-N 0 3 288.395 2.281 20 30 CEEDHN C[C@@H](CS(C)(=O)=O)N[C@H](CCCC#N)c1ccccc1 ZINC000340444227 328278224 /nfs/dbraw/zinc/27/82/24/328278224.db2.gz HCXOPLFDTVUJLH-DZGCQCFKSA-N 0 3 294.420 2.444 20 30 CEEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H](CO)COC)cc1 ZINC000281285482 328498465 /nfs/dbraw/zinc/49/84/65/328498465.db2.gz XTTJOWXCOLAXFJ-OCCSQVGLSA-N 0 3 299.798 2.476 20 30 CEEDHN C=CCSCCNC(=O)Nc1cccc2c1CCNC2 ZINC000582170123 328603612 /nfs/dbraw/zinc/60/36/12/328603612.db2.gz VVCGFJKGQYTIIM-UHFFFAOYSA-N 0 3 291.420 2.373 20 30 CEEDHN Cc1nn(-c2ccncc2)cc1CNCC1(CC#N)CC1 ZINC000568347215 326993717 /nfs/dbraw/zinc/99/37/17/326993717.db2.gz VZBXJGURGJAWPB-UHFFFAOYSA-N 0 3 281.363 2.359 20 30 CEEDHN C=CCNC(=O)CN[C@H](c1cccs1)C1CC1 ZINC000341850346 327025014 /nfs/dbraw/zinc/02/50/14/327025014.db2.gz FNYWWDZTXUCWJR-ZDUSSCGKSA-N 0 3 250.367 2.091 20 30 CEEDHN Cc1ccc(OC[C@H](O)CNCC(C)(C)CC#N)cc1 ZINC000584167613 327055080 /nfs/dbraw/zinc/05/50/80/327055080.db2.gz APJYQUQBSUNJMQ-CQSZACIVSA-N 0 3 276.380 2.264 20 30 CEEDHN CN(CCCCC#N)CCN(C)C(=O)OC(C)(C)C ZINC000091763635 327177523 /nfs/dbraw/zinc/17/75/23/327177523.db2.gz HPPHOUITZLCJEH-UHFFFAOYSA-N 0 3 269.389 2.479 20 30 CEEDHN C=CCC1(C(=O)NC[C@@H](C)N2CCCC2)CCC1 ZINC000569640439 327482647 /nfs/dbraw/zinc/48/26/47/327482647.db2.gz GMEYABULIFRIBJ-CYBMUJFWSA-N 0 3 250.386 2.333 20 30 CEEDHN N#CCC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000153658543 327575890 /nfs/dbraw/zinc/57/58/90/327575890.db2.gz FYKFDAQJWNPGJV-UHFFFAOYSA-N 0 3 298.390 2.071 20 30 CEEDHN N#CCCNC1CCC(Oc2ncccc2C#N)CC1 ZINC000583626716 328720117 /nfs/dbraw/zinc/72/01/17/328720117.db2.gz FQRXCLUJQQKBNL-UHFFFAOYSA-N 0 3 270.336 2.147 20 30 CEEDHN C=C[C@@H](C)N[C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000358318096 328881759 /nfs/dbraw/zinc/88/17/59/328881759.db2.gz LUMVTCAQKXGWES-GHMZBOCLSA-N 0 3 283.393 2.324 20 30 CEEDHN CN1CCC(C(=O)N(CCC#N)CC(C)(C)C)CC1 ZINC000360138942 328904540 /nfs/dbraw/zinc/90/45/40/328904540.db2.gz BGTXFBVKZONRLV-UHFFFAOYSA-N 0 3 265.401 2.117 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)NCCCNCc1cccnc1 ZINC000582427573 328986994 /nfs/dbraw/zinc/98/69/94/328986994.db2.gz FSULQVSXKIWLOA-CQSZACIVSA-N 0 3 275.396 2.280 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1C1CC1 ZINC000377534139 329017705 /nfs/dbraw/zinc/01/77/05/329017705.db2.gz PVYAPSLGJHPGTE-AWEZNQCLSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C(C)CN1CCCN(Cc2ncc(Cl)n2C)CC1 ZINC000377556356 329018952 /nfs/dbraw/zinc/01/89/52/329018952.db2.gz HOJWKYUWQAMPHI-UHFFFAOYSA-N 0 3 282.819 2.157 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000377569901 329019211 /nfs/dbraw/zinc/01/92/11/329019211.db2.gz XGWZEDGZQPXNAR-WBVHZDCISA-N 0 3 284.403 2.079 20 30 CEEDHN C#CCCNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000377652252 329022916 /nfs/dbraw/zinc/02/29/16/329022916.db2.gz FVSTUCFUKJPHAT-UHFFFAOYSA-N 0 3 299.418 2.236 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@](C)(c2ccccc2)C1 ZINC000378126459 329040734 /nfs/dbraw/zinc/04/07/34/329040734.db2.gz MJPHYZOCJIQCPR-CRAIPNDOSA-N 0 3 299.418 2.411 20 30 CEEDHN C=CCCC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000171041881 329074365 /nfs/dbraw/zinc/07/43/65/329074365.db2.gz MEJAFAPGMXQLKY-AWEZNQCLSA-N 0 3 250.386 2.430 20 30 CEEDHN CC(C)N(C)CC(=O)N[C@H](C#N)c1ccccc1Cl ZINC000172025116 329083280 /nfs/dbraw/zinc/08/32/80/329083280.db2.gz JLEQOPMWASQZGP-CYBMUJFWSA-N 0 3 279.771 2.361 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000172968573 329141483 /nfs/dbraw/zinc/14/14/83/329141483.db2.gz PWWXZFXUYSXHTL-MELADBBJSA-N 0 3 289.423 2.305 20 30 CEEDHN CC[C@H](C(=O)NCc1ccc(CC#N)cc1)N(CC)CC ZINC000582787184 329201331 /nfs/dbraw/zinc/20/13/31/329201331.db2.gz AFXCPSLGKNIJCW-MRXNPFEDSA-N 0 3 287.407 2.489 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H]1[C@@H](C)[C@H](OC)C1(CC)CC ZINC000179792641 329212111 /nfs/dbraw/zinc/21/21/11/329212111.db2.gz NPMOHNNJYPMOPP-RFGFWPKPSA-N 0 3 282.428 2.106 20 30 CEEDHN N#CCNC(=O)CN[C@@H](CC1CCC1)c1ccccc1 ZINC000181356203 329232235 /nfs/dbraw/zinc/23/22/35/329232235.db2.gz NTYCPKWTEMPPKD-HNNXBMFYSA-N 0 3 271.364 2.147 20 30 CEEDHN C=C(C)CN(C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000181398363 329232541 /nfs/dbraw/zinc/23/25/41/329232541.db2.gz SPZRMTVENCWAGD-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(OCC)c(OC)c1 ZINC000321067301 329249689 /nfs/dbraw/zinc/24/96/89/329249689.db2.gz ZFSVCRYAYRGHAQ-ZDUSSCGKSA-N 0 3 265.353 2.121 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cc(OC)c(OC)cc1OC ZINC000321078854 329252642 /nfs/dbraw/zinc/25/26/42/329252642.db2.gz BHKMREPUPZACJT-ZDUSSCGKSA-N 0 3 295.379 2.129 20 30 CEEDHN C=CC[C@H](CO)NCc1cc(-c2ccccc2)n[nH]1 ZINC000184272812 329258513 /nfs/dbraw/zinc/25/85/13/329258513.db2.gz FWMCDQRGQRYXCT-CYBMUJFWSA-N 0 3 257.337 2.103 20 30 CEEDHN CC#CCNC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000185079486 329267758 /nfs/dbraw/zinc/26/77/58/329267758.db2.gz DPGYHOVEGDCVTQ-KRWDZBQOSA-N 0 3 299.418 2.220 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC000185330875 329270550 /nfs/dbraw/zinc/27/05/50/329270550.db2.gz QOQWCWFULFETBJ-KGLIPLIRSA-N 0 3 250.386 2.045 20 30 CEEDHN CC(C)(C)N1C[C@@H](N[C@@H]2CCC[C@H](C#N)C2)CC1=O ZINC000185852870 329333661 /nfs/dbraw/zinc/33/36/61/329333661.db2.gz AWJUKZDBFJMIDI-XQQFMLRXSA-N 0 3 263.385 2.058 20 30 CEEDHN CC#CCN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186939150 329350637 /nfs/dbraw/zinc/35/06/37/329350637.db2.gz ROFOLYNTBHNKEB-UHFFFAOYSA-N 0 3 261.340 2.218 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000248830190 329900292 /nfs/dbraw/zinc/90/02/92/329900292.db2.gz HDLWQAALWWRNMK-SHPPOPEUSA-N 0 3 256.349 2.317 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2cccc(N3CCC3=O)c2)C1 ZINC000571743746 329919395 /nfs/dbraw/zinc/91/93/95/329919395.db2.gz ILSGBEHNZAQCKH-OCCSQVGLSA-N 0 3 269.348 2.205 20 30 CEEDHN C=CCN(CCc1ccco1)C(=O)NC[C@@H]1CCCN1C ZINC000272487570 330086903 /nfs/dbraw/zinc/08/69/03/330086903.db2.gz SPUBADDRGUXDJL-AWEZNQCLSA-N 0 3 291.395 2.114 20 30 CEEDHN CSc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424065394 330218954 /nfs/dbraw/zinc/21/89/54/330218954.db2.gz LEQRKLIGGNQUHR-LBPRGKRZSA-N 0 3 263.366 2.368 20 30 CEEDHN C[C@H](c1ccccc1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424064994 330219069 /nfs/dbraw/zinc/21/90/69/330219069.db2.gz KYKWKKOMRDXLAX-TZMCWYRMSA-N 0 3 259.353 2.227 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000424075601 330220767 /nfs/dbraw/zinc/22/07/67/330220767.db2.gz JVLCUWGLWAESDU-NSHDSACASA-N 0 3 283.278 2.248 20 30 CEEDHN C=CCC1(C(=O)NC[C@H](N)c2ccccc2)CCOCC1 ZINC000424084587 330222536 /nfs/dbraw/zinc/22/25/36/330222536.db2.gz YSMULLIWNNMBPM-HNNXBMFYSA-N 0 3 288.391 2.176 20 30 CEEDHN CCC(CC)CN(CC)C(=O)[C@@H](N)CCCC#N ZINC000424088904 330224428 /nfs/dbraw/zinc/22/44/28/330224428.db2.gz KAURFPKKTKSWAC-ZDUSSCGKSA-N 0 3 253.390 2.292 20 30 CEEDHN CC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccs1 ZINC000424101466 330233464 /nfs/dbraw/zinc/23/34/64/330233464.db2.gz MYPNPFRFBOBDED-WDEREUQCSA-N 0 3 265.382 2.337 20 30 CEEDHN Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H](N)CCCC#N ZINC000424107252 330234575 /nfs/dbraw/zinc/23/45/75/330234575.db2.gz YZYRMIUOQIOKJL-GJZGRUSLSA-N 0 3 271.364 2.120 20 30 CEEDHN CC(C)[C@H]1CCCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424127026 330259221 /nfs/dbraw/zinc/25/92/21/330259221.db2.gz POPSTLORDHPEAP-KBPBESRZSA-N 0 3 265.401 2.292 20 30 CEEDHN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000424148113 330294851 /nfs/dbraw/zinc/29/48/51/330294851.db2.gz DUEWCRLNARBKJI-JHJVBQTASA-N 0 3 265.401 2.339 20 30 CEEDHN CCS[C@@H]1CCC[C@H](NC(=O)[C@@H](N)CCCC#N)C1 ZINC000424149674 330295726 /nfs/dbraw/zinc/29/57/26/330295726.db2.gz HOKMNANOSHDNQW-XQQFMLRXSA-N 0 3 283.441 2.188 20 30 CEEDHN C[C@]1(CN[C@@H]2CC[C@@H](C#N)C2)COc2ccccc2O1 ZINC000527925982 330296638 /nfs/dbraw/zinc/29/66/38/330296638.db2.gz CNCKYOFNQOFCOT-IOASZLSFSA-N 0 3 272.348 2.498 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000424160657 330306298 /nfs/dbraw/zinc/30/62/98/330306298.db2.gz WQBKXIGLDQIZNC-GHMZBOCLSA-N 0 3 291.317 2.245 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(Cl)s1 ZINC000328078968 330311803 /nfs/dbraw/zinc/31/18/03/330311803.db2.gz GHGDAJFKSWPILO-UHFFFAOYSA-N 0 3 270.785 2.086 20 30 CEEDHN Cc1ccccc1C[C@H](C)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424190220 330323047 /nfs/dbraw/zinc/32/30/47/330323047.db2.gz PBTFCIOEZJIEQZ-HOCLYGCPSA-N 0 3 287.407 2.406 20 30 CEEDHN CC(C)c1nnc(CCN[C@H]2CC[C@H](C#N)C2)s1 ZINC000426312650 330503717 /nfs/dbraw/zinc/50/37/17/330503717.db2.gz UDGILANMLZPSKK-QWRGUYRKSA-N 0 3 264.398 2.486 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)c1ccn(C)n1 ZINC000436308331 330675117 /nfs/dbraw/zinc/67/51/17/330675117.db2.gz MLQRQALNZADQOK-IPYPFGDCSA-N 0 3 263.385 2.442 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000442635415 330777768 /nfs/dbraw/zinc/77/77/68/330777768.db2.gz PPCVYOPNRWYZIK-KURKYZTESA-N 0 3 299.418 2.169 20 30 CEEDHN C=CC[C@H](CO)CNCc1ccnn1-c1ccccc1 ZINC000447895037 330879399 /nfs/dbraw/zinc/87/93/99/330879399.db2.gz AEXAPINTTNSPEV-AWEZNQCLSA-N 0 3 271.364 2.147 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@](C)(COC)C1 ZINC000451195735 331019869 /nfs/dbraw/zinc/01/98/69/331019869.db2.gz VBOVJNKYRRMYQQ-HOCLYGCPSA-N 0 3 282.428 2.158 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000451601224 331035889 /nfs/dbraw/zinc/03/58/89/331035889.db2.gz USTFWCLZPKJHSN-XOUADPBQSA-N 0 3 288.391 2.185 20 30 CEEDHN CC[C@H]1CN(CC)CCN1CCCSCC#N ZINC000451728994 331040445 /nfs/dbraw/zinc/04/04/45/331040445.db2.gz IHNXJYYRFFWZEN-ZDUSSCGKSA-N 0 3 255.431 2.049 20 30 CEEDHN CC#CCCN1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451879806 331046090 /nfs/dbraw/zinc/04/60/90/331046090.db2.gz LSUFTHAUXCMJAZ-GFCCVEGCSA-N 0 3 262.319 2.216 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1cccc(C)c1 ZINC000452097591 331053978 /nfs/dbraw/zinc/05/39/78/331053978.db2.gz YOKFHWBXAHXKSQ-OLZOCXBDSA-N 0 3 289.379 2.046 20 30 CEEDHN N#CC[C@@H]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC000452557697 331068728 /nfs/dbraw/zinc/06/87/28/331068728.db2.gz QVLRLYLJXLYFMG-QEJZJMRPSA-N 0 3 275.396 2.059 20 30 CEEDHN CCOC1(C)CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000452698236 331072480 /nfs/dbraw/zinc/07/24/80/331072480.db2.gz RFSHQDVBMIAGQL-OAHLLOKOSA-N 0 3 286.375 2.396 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCCc2nn(C)cc21 ZINC000453332428 331117896 /nfs/dbraw/zinc/11/78/96/331117896.db2.gz CIEQQOFXUHSSQE-CFVMTHIKSA-N 0 3 261.369 2.121 20 30 CEEDHN C=CC(C)(C)CNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000454602318 331149666 /nfs/dbraw/zinc/14/96/66/331149666.db2.gz KRAJNDKGCQABJV-CYBMUJFWSA-N 0 3 269.433 2.474 20 30 CEEDHN CCC1(CNC(=O)C(C#N)CCc2ccccc2)COC1 ZINC000456491099 331194145 /nfs/dbraw/zinc/19/41/45/331194145.db2.gz QQLQYYPOHWLZRG-OAHLLOKOSA-N 0 3 286.375 2.302 20 30 CEEDHN COc1cc(F)cc(C[C@H](C)NC(=O)C(C)C#N)c1 ZINC000457042895 331210711 /nfs/dbraw/zinc/21/07/11/331210711.db2.gz AAOJNACAXHRDAO-UWVGGRQHSA-N 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ZINC000492505176 332400702 /nfs/dbraw/zinc/40/07/02/332400702.db2.gz TWIZVCLXGOEBEK-AATRIKPKSA-N 0 3 297.402 2.007 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C\c2ccncc2C)CC1 ZINC000493743190 332452138 /nfs/dbraw/zinc/45/21/38/332452138.db2.gz VHHPPXAUDCBEQV-WAYWQWQTSA-N 0 3 297.402 2.007 20 30 CEEDHN C[C@@H]1OCC[C@@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000134238899 334085094 /nfs/dbraw/zinc/08/50/94/334085094.db2.gz QQLKHQGPSQVVEF-IYOFFGIQSA-N 0 3 256.349 2.377 20 30 CEEDHN C=C(C)COCCNCc1cn(C)nc1-c1ccncc1 ZINC000134502684 334092240 /nfs/dbraw/zinc/09/22/40/334092240.db2.gz AYMFMWHLWHQCQC-UHFFFAOYSA-N 0 3 286.379 2.164 20 30 CEEDHN CC(C)(CNC(=O)C1(C#N)CCC1)N1CCCCC1 ZINC000134500157 334092386 /nfs/dbraw/zinc/09/23/86/334092386.db2.gz OQYKIUBFEGQSNQ-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC2(CC)CC2)CC1 ZINC000078355989 334131788 /nfs/dbraw/zinc/13/17/88/334131788.db2.gz GECNPUSYHWSPGI-UHFFFAOYSA-N 0 3 265.401 2.126 20 30 CEEDHN CC1CC(C#N)(C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000548076049 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C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000251925044 334371989 /nfs/dbraw/zinc/37/19/89/334371989.db2.gz SQMOLJSFSARZIS-ILXRZTDVSA-N 0 3 282.428 2.156 20 30 CEEDHN Cc1noc(C2(C)CCN([C@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000555422781 334478012 /nfs/dbraw/zinc/47/80/12/334478012.db2.gz GTDGAHWPMYXEJC-STQMWFEESA-N 0 3 274.368 2.424 20 30 CEEDHN C=CCN1CCC(NC(=O)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000176598624 335309516 /nfs/dbraw/zinc/30/95/16/335309516.db2.gz OQJNAHOYDVVKQD-BETUJISGSA-N 0 3 265.401 2.219 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](CC)[C@H]1CCCO1 ZINC000182362416 335813340 /nfs/dbraw/zinc/81/33/40/335813340.db2.gz OBKKPTONHLVYPR-SOUVJXGZSA-N 0 3 282.428 2.347 20 30 CEEDHN COc1ccc(CC[C@H](C)NC[C@@H](C)C#N)cc1O ZINC000579788126 335883650 /nfs/dbraw/zinc/88/36/50/335883650.db2.gz DDKKJLPVQRPQFD-RYUDHWBXSA-N 0 3 262.353 2.471 20 30 CEEDHN N#Cc1ccccc1N1CCN(C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000579791345 335884732 /nfs/dbraw/zinc/88/47/32/335884732.db2.gz HXVVSTCDAHWSPK-WMZOPIPTSA-N 0 3 299.418 2.231 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc(C#N)c(F)cc2C)CC1 ZINC000874900650 649865882 /nfs/dbraw/zinc/86/58/82/649865882.db2.gz PQMWUWCOWPWOJX-UHFFFAOYSA-N 0 3 299.349 2.290 20 30 CEEDHN COc1cc(CN[C@@H]2CC[C@@H](C#N)C2)ccc1C#N ZINC000353633459 533899412 /nfs/dbraw/zinc/89/94/12/533899412.db2.gz XUXLABUTOPBJPD-BXUZGUMPSA-N 0 3 255.321 2.349 20 30 CEEDHN C=C(CC)CN[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000419269124 517317456 /nfs/dbraw/zinc/31/74/56/517317456.db2.gz NWAODDTVEGKLHG-ZDUSSCGKSA-N 0 3 266.772 2.292 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC(OC[C@@H]3CCOC3)CC2)C1 ZINC000555417817 518196426 /nfs/dbraw/zinc/19/64/26/518196426.db2.gz OYTQKBSDPMFPNM-KFWWJZLASA-N 0 3 278.396 2.196 20 30 CEEDHN C=CCNC(=O)CN[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000183032294 518894699 /nfs/dbraw/zinc/89/46/99/518894699.db2.gz DNHXMLZROVDVAD-BDJLRTHQSA-N 0 3 276.355 2.341 20 30 CEEDHN C=CCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184903989 518912160 /nfs/dbraw/zinc/91/21/60/518912160.db2.gz TUKNTNQVGIKTGO-UHFFFAOYSA-N 0 3 288.395 2.136 20 30 CEEDHN C=CC[C@@H](CO)NCc1cccc2c1OC(C)(C)C2 ZINC000184274806 519104759 /nfs/dbraw/zinc/10/47/59/519104759.db2.gz ZUYNHOJMVCDWFM-AWEZNQCLSA-N 0 3 261.365 2.427 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccccc1Br ZINC000184276657 519104934 /nfs/dbraw/zinc/10/49/34/519104934.db2.gz JAWVCTVOUXTSJG-NSHDSACASA-N 0 3 270.170 2.476 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H](CCO)C(C)(C)C ZINC000183685576 522037140 /nfs/dbraw/zinc/03/71/40/522037140.db2.gz NCEMWKQUPXXIHX-HNNXBMFYSA-N 0 3 276.380 2.454 20 30 CEEDHN C=CCN1CCC(NC(=O)C2CC(C)(C)C2)CC1 ZINC000352269211 526419892 /nfs/dbraw/zinc/41/98/92/526419892.db2.gz JXDLAIKDGPWXET-UHFFFAOYSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C(C)CCN1CCN(c2cccc(C#N)n2)CC1 ZINC000351993441 526445138 /nfs/dbraw/zinc/44/51/38/526445138.db2.gz JDEHIMDMGBXPDK-UHFFFAOYSA-N 0 3 256.353 2.041 20 30 CEEDHN C=CCN1CCC(NC(=O)c2occ3c2CCC3)CC1 ZINC000352269757 526449925 /nfs/dbraw/zinc/44/99/25/526449925.db2.gz XJYBEFIGUIRANA-UHFFFAOYSA-N 0 3 274.364 2.149 20 30 CEEDHN C=CCN1CC[C@H](N[C@@H](CC)CC(F)(F)F)C1=O ZINC000352824086 526512925 /nfs/dbraw/zinc/51/29/25/526512925.db2.gz FSKBAVWRRQKTPU-UWVGGRQHSA-N 0 3 264.291 2.094 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353272099 526571975 /nfs/dbraw/zinc/57/19/75/526571975.db2.gz NWWPYZJHJLCNGD-OAHLLOKOSA-N 0 3 288.391 2.309 20 30 CEEDHN C=C(C)CN1CCC(NCc2ccoc2C(=O)OC)CC1 ZINC000344242205 526603959 /nfs/dbraw/zinc/60/39/59/526603959.db2.gz XEZGWPZAABMNQA-UHFFFAOYSA-N 0 3 292.379 2.196 20 30 CEEDHN C=CCOCC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000354891775 526688971 /nfs/dbraw/zinc/68/89/71/526688971.db2.gz FQDXEHGBDCDKPJ-UHFFFAOYSA-N 0 3 290.407 2.088 20 30 CEEDHN N#Cc1cccc(/C=C/C(=O)N2CCCN(C3CC3)CC2)c1 ZINC000061604486 526695007 /nfs/dbraw/zinc/69/50/07/526695007.db2.gz AAQSLMYJLZORCA-VMPITWQZSA-N 0 3 295.386 2.268 20 30 CEEDHN C#CCCOc1ccc(CNCCn2ccnc2)cc1 ZINC000113313660 526742835 /nfs/dbraw/zinc/74/28/35/526742835.db2.gz LVXQWOSNXAWUBG-UHFFFAOYSA-N 0 3 269.348 2.075 20 30 CEEDHN C=C(C)[C@@H](CC(=O)NC[C@@H]1CCCCN1C1CC1)OCC ZINC000347309612 526749151 /nfs/dbraw/zinc/74/91/51/526749151.db2.gz DUOPAYZYGVVCRF-JKSUJKDBSA-N 0 3 294.439 2.491 20 30 CEEDHN C=CCOCCCN1CC[C@H](Oc2ccncc2)C1 ZINC000347089992 526759055 /nfs/dbraw/zinc/75/90/55/526759055.db2.gz PDMGPWPZVCSCIN-HNNXBMFYSA-N 0 3 262.353 2.127 20 30 CEEDHN C=CCOc1ccc(CN2CCC[C@H](OCCO)C2)cc1 ZINC000353530999 526867923 /nfs/dbraw/zinc/86/79/23/526867923.db2.gz NTNZDIZSMHCWQR-KRWDZBQOSA-N 0 3 291.391 2.225 20 30 CEEDHN C=C(CNC(=O)N1C[C@H]2CCN(C)[C@H]2C1)c1ccccc1 ZINC000334642787 526869467 /nfs/dbraw/zinc/86/94/67/526869467.db2.gz IXSVOIHDSJOFIN-CVEARBPZSA-N 0 3 285.391 2.045 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H]1CN(C)C[C@H]1C ZINC000344370819 526951119 /nfs/dbraw/zinc/95/11/19/526951119.db2.gz NONNSPPEDNKIAI-UKRRQHHQSA-N 0 3 260.381 2.291 20 30 CEEDHN CC(C)(CCO)CNCc1ccc(C#N)c(F)c1 ZINC000404124488 527055980 /nfs/dbraw/zinc/05/59/80/527055980.db2.gz PQFUYCQMUYSWSV-UHFFFAOYSA-N 0 3 250.317 2.196 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc(C(=O)OC)ccc1Cl ZINC000343605233 527101573 /nfs/dbraw/zinc/10/15/73/527101573.db2.gz UDUUCECNCQBZPH-LBPRGKRZSA-N 0 3 283.755 2.153 20 30 CEEDHN C=CCCCC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000347363157 527106972 /nfs/dbraw/zinc/10/69/72/527106972.db2.gz RJLJJEAIEKYRPZ-AWEZNQCLSA-N 0 3 250.386 2.476 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000417989935 527289326 /nfs/dbraw/zinc/28/93/26/527289326.db2.gz UCGLVEOCMYKGAG-AVGNSLFASA-N 0 3 253.390 2.123 20 30 CEEDHN CC(C)CC(=O)Nc1cccc(CNC(=O)C(C)C#N)c1 ZINC000347041317 527671723 /nfs/dbraw/zinc/67/17/23/527671723.db2.gz SNTOZVNYKVYRIQ-GFCCVEGCSA-N 0 3 287.363 2.447 20 30 CEEDHN CC(C)[C@@H](C(=O)NCCCCC#N)N1CCCCC1 ZINC000354887220 528360464 /nfs/dbraw/zinc/36/04/64/528360464.db2.gz BOSTWVHXKSAIAU-AWEZNQCLSA-N 0 3 265.401 2.307 20 30 CEEDHN CCN(CCNC(=O)NCC(C)(C)CCC#N)C1CC1 ZINC000352690938 528490779 /nfs/dbraw/zinc/49/07/79/528490779.db2.gz HXDPMMRDWHAODS-UHFFFAOYSA-N 0 3 280.416 2.100 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)NCC(C)(C)CCC#N ZINC000353116749 529010206 /nfs/dbraw/zinc/01/02/06/529010206.db2.gz YOTXASBUEZJZSL-AWEZNQCLSA-N 0 3 294.443 2.490 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000352247350 529348910 /nfs/dbraw/zinc/34/89/10/529348910.db2.gz XUFCOBNHKDSNRV-VNHYZAJKSA-N 0 3 265.401 2.305 20 30 CEEDHN CC[C@H](O)[C@H](CC)NCc1ccc(C#N)cc1F ZINC000313153673 536009071 /nfs/dbraw/zinc/00/90/71/536009071.db2.gz ARRBQKCFECZFCN-KBPBESRZSA-N 0 3 250.317 2.336 20 30 CEEDHN C#Cc1cccc(NC(=S)NCCN2CCCCC2)c1 ZINC000726462102 574426664 /nfs/dbraw/zinc/42/66/64/574426664.db2.gz DELQKHIRDZPZCD-UHFFFAOYSA-N 0 3 287.432 2.440 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@@H](COc2ccccc2)C1 ZINC000679541977 574431718 /nfs/dbraw/zinc/43/17/18/574431718.db2.gz SUUFVWGCVLZLAY-ZBFHGGJFSA-N 0 3 261.365 2.324 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccccc1F ZINC000726858878 574431231 /nfs/dbraw/zinc/43/12/31/574431231.db2.gz XIEKLJOSACXGSN-AAEUAGOBSA-N 0 3 288.322 2.330 20 30 CEEDHN C#Cc1ccc(C(=O)Nc2cccc(CN(C)C)c2)cn1 ZINC000728811575 574470654 /nfs/dbraw/zinc/47/06/54/574470654.db2.gz NTFYCJSEPCIMNL-UHFFFAOYSA-N 0 3 279.343 2.377 20 30 CEEDHN C=C(C)COc1cc(CN[C@@H]2CCN(C)C2)ccc1OC ZINC000729681652 574490650 /nfs/dbraw/zinc/49/06/50/574490650.db2.gz GZXHAEIVHBJXLG-OAHLLOKOSA-N 0 3 290.407 2.444 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000754144651 574525473 /nfs/dbraw/zinc/52/54/73/574525473.db2.gz QTSTWMSXYYLEDT-VXGBXAGGSA-N 0 3 291.482 2.097 20 30 CEEDHN Cc1cc(C(C#N)C(=O)C=CC2CCOCC2)nc(C)n1 ZINC000732709216 574626841 /nfs/dbraw/zinc/62/68/41/574626841.db2.gz ZJEAEIVHNNSUSK-XGACYXMMSA-N 0 3 285.347 2.253 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)C1CCSCC1 ZINC000733053649 574640518 /nfs/dbraw/zinc/64/05/18/574640518.db2.gz PYUCUFCKNFOBHY-LBPRGKRZSA-N 0 3 282.409 2.145 20 30 CEEDHN C=CCC[N@@H+](C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735413503 574755879 /nfs/dbraw/zinc/75/58/79/574755879.db2.gz VXPLAMXKCRDBTP-LLVKDONJSA-N 0 3 257.341 2.436 20 30 CEEDHN C=CCC[N@H+](C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735413503 574755880 /nfs/dbraw/zinc/75/58/80/574755880.db2.gz VXPLAMXKCRDBTP-LLVKDONJSA-N 0 3 257.341 2.436 20 30 CEEDHN C=CCC[N@@H+](C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735413503 574755882 /nfs/dbraw/zinc/75/58/82/574755882.db2.gz VXPLAMXKCRDBTP-LLVKDONJSA-N 0 3 257.341 2.436 20 30 CEEDHN C=CCC[N@H+](C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735413503 574755883 /nfs/dbraw/zinc/75/58/83/574755883.db2.gz VXPLAMXKCRDBTP-LLVKDONJSA-N 0 3 257.341 2.436 20 30 CEEDHN C=CCC[NH+]1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735413436 574755887 /nfs/dbraw/zinc/75/58/87/574755887.db2.gz VFGWOABUCAEUJZ-UHFFFAOYSA-N 0 3 299.378 2.286 20 30 CEEDHN C=CCC[NH+]1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735413436 574755890 /nfs/dbraw/zinc/75/58/90/574755890.db2.gz VFGWOABUCAEUJZ-UHFFFAOYSA-N 0 3 299.378 2.286 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C3CCOCC3)nc21 ZINC000735790620 574766691 /nfs/dbraw/zinc/76/66/91/574766691.db2.gz NZJBSCGRBLVQJI-GFCCVEGCSA-N 0 3 283.331 2.474 20 30 CEEDHN Cc1cccc2nc(C(C#N)C(=O)C3CCOCC3)[nH]c21 ZINC000735790620 574766692 /nfs/dbraw/zinc/76/66/92/574766692.db2.gz NZJBSCGRBLVQJI-GFCCVEGCSA-N 0 3 283.331 2.474 20 30 CEEDHN CC(N=Nc1cccnn1)c1cccc(OCCN(C)C)c1 ZINC000735973436 574772644 /nfs/dbraw/zinc/77/26/44/574772644.db2.gz JWRGRNSTTPDDGW-UHFFFAOYSA-N 0 3 299.378 2.253 20 30 CEEDHN CC(C#N)C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000736675269 574794222 /nfs/dbraw/zinc/79/42/22/574794222.db2.gz YJCBPERFUNLTSR-XHDPSFHLSA-N 0 3 290.338 2.257 20 30 CEEDHN C[C@H]1CC(=NNC(=S)NCc2ccccc2)CCN1C ZINC000741456882 574987333 /nfs/dbraw/zinc/98/73/33/574987333.db2.gz KBXMFPKFOFUXMM-LBPRGKRZSA-N 0 3 290.436 2.121 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)/C=C/c2ccccc2C#N)CCN1C ZINC000741722223 574995532 /nfs/dbraw/zinc/99/55/32/574995532.db2.gz DUHNTAVMCMQRSX-WHHBIATBSA-N 0 3 283.375 2.170 20 30 CEEDHN C[C@H]1CCCN1CCNC(=O)C1(C#N)CCCCC1 ZINC000742242033 575013302 /nfs/dbraw/zinc/01/33/02/575013302.db2.gz XYYOWRSSSIFCNP-ZDUSSCGKSA-N 0 3 263.385 2.061 20 30 CEEDHN COc1ccc(CN[C@H](C)Cc2cnccn2)cc1C#N ZINC000742369210 575017400 /nfs/dbraw/zinc/01/74/00/575017400.db2.gz OKXCOXPKIOCBRD-GFCCVEGCSA-N 0 3 282.347 2.078 20 30 CEEDHN C#CCCN1CCC(NC(=O)C[C@H](C)c2cccnc2)CC1 ZINC000743491172 575105373 /nfs/dbraw/zinc/10/53/73/575105373.db2.gz CDGDZVKYDIKMMD-HNNXBMFYSA-N 0 3 299.418 2.179 20 30 CEEDHN C#CCCN1CCC(NC(=O)[C@H](C)c2ccsc2)CC1 ZINC000743493371 575105410 /nfs/dbraw/zinc/10/54/10/575105410.db2.gz QBILMBSSFUHQGA-CYBMUJFWSA-N 0 3 290.432 2.456 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@@](C)(CCC)C1 ZINC000743871957 575111816 /nfs/dbraw/zinc/11/18/16/575111816.db2.gz DECMLMJXUOZMDI-UKRRQHHQSA-N 0 3 250.386 2.027 20 30 CEEDHN CC#CCOC(=O)C1CCN(c2cccc(Cl)c2)C1=O ZINC000745431554 575138178 /nfs/dbraw/zinc/13/81/78/575138178.db2.gz DWKKLOVZBAVYKH-ZDUSSCGKSA-N 0 3 291.734 2.259 20 30 CEEDHN C#C[C@@H](CC)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000753262931 575323219 /nfs/dbraw/zinc/32/32/19/575323219.db2.gz BAJDJPRSHPQMSZ-PCKAHOCUSA-N 0 3 291.439 2.304 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC000981896418 613003990 /nfs/dbraw/zinc/00/39/90/613003990.db2.gz OBUZQBFKYTYLBH-JKSUJKDBSA-N 0 3 276.424 2.370 20 30 CEEDHN C=C(CC)C[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823878171 608486526 /nfs/dbraw/zinc/48/65/26/608486526.db2.gz SBDICDNEOBFILB-LLVKDONJSA-N 0 3 257.341 2.484 20 30 CEEDHN C=C(CC)C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823878171 608486527 /nfs/dbraw/zinc/48/65/27/608486527.db2.gz SBDICDNEOBFILB-LLVKDONJSA-N 0 3 257.341 2.484 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C(C)(C)c2ccc(CC)cc2)C1 ZINC000970435412 612959871 /nfs/dbraw/zinc/95/98/71/612959871.db2.gz QYDDMJDKCIRBGH-QGZVFWFLSA-N 0 3 298.430 2.350 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)CC2CCC(C)(C)CC2)C1 ZINC000970891882 612960095 /nfs/dbraw/zinc/96/00/95/612960095.db2.gz SCGYRJUVUABOIK-OAHLLOKOSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000970555355 612960346 /nfs/dbraw/zinc/96/03/46/612960346.db2.gz DRYVVNJVSMSBEI-QFQXCOSMSA-N 0 3 286.419 2.027 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)CC(C)(C)c2ccc(C)cc2)C1 ZINC000970670433 612960355 /nfs/dbraw/zinc/96/03/55/612960355.db2.gz GBUGKBONCZCRSU-QGZVFWFLSA-N 0 3 298.430 2.486 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)CCc2cc3ccccc3o2)C1 ZINC000969266814 612960431 /nfs/dbraw/zinc/96/04/31/612960431.db2.gz XFGJKYFSYSARHT-OAHLLOKOSA-N 0 3 296.370 2.189 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)CCc2ccccc2Cl)C1 ZINC000970662162 612960710 /nfs/dbraw/zinc/96/07/10/612960710.db2.gz SWVXTAGPBKVHSF-CQSZACIVSA-N 0 3 290.794 2.096 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)Cc2cccc(C(C)C)c2)C1 ZINC000969201950 612961776 /nfs/dbraw/zinc/96/17/76/612961776.db2.gz DQDUTSMLIWTLSV-QGZVFWFLSA-N 0 3 284.403 2.176 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc(F)c3ccccc3c2)C1 ZINC000968864500 612964771 /nfs/dbraw/zinc/96/47/71/612964771.db2.gz ODNOLNYSEWMHMA-OAHLLOKOSA-N 0 3 296.345 2.416 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(Cl)c(C)c2)C1 ZINC000969805841 612965780 /nfs/dbraw/zinc/96/57/80/612965780.db2.gz SMTGGZIPMABVIL-CYBMUJFWSA-N 0 3 276.767 2.086 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cccc(F)c2C)C1 ZINC000969714052 612995500 /nfs/dbraw/zinc/99/55/00/612995500.db2.gz OGAUGFSZVHQURV-CYBMUJFWSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCCN1CCCN(C(=O)C(C)=C2CCCC2)CC1 ZINC000980951254 613001951 /nfs/dbraw/zinc/00/19/51/613001951.db2.gz DHFUMHHLDXHAOU-UHFFFAOYSA-N 0 3 274.408 2.435 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H]2C[C@@H]2C2CCCC2)CC1 ZINC000983223143 613004328 /nfs/dbraw/zinc/00/43/28/613004328.db2.gz CYECPHLSBWKWAZ-IAGOWNOFSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cc2cccc(C)c2)C1 ZINC000968076578 613013816 /nfs/dbraw/zinc/01/38/16/613013816.db2.gz CZMJDDBKMBXFFY-AEFFLSMTSA-N 0 3 298.430 2.387 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC000966632399 613013861 /nfs/dbraw/zinc/01/38/61/613013861.db2.gz KPIRVLCHYKDMQE-CJNGLKHVSA-N 0 3 299.418 2.356 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC000966912217 613015085 /nfs/dbraw/zinc/01/50/85/613015085.db2.gz FFHOHVXMGUCRDU-IUODEOHRSA-N 0 3 287.407 2.095 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC000967521705 613022607 /nfs/dbraw/zinc/02/26/07/613022607.db2.gz GSHBFEGLHYSHJZ-GJZGRUSLSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC000968369324 613023055 /nfs/dbraw/zinc/02/30/55/613023055.db2.gz ISMZYKLEBXLDPR-LRDDRELGSA-N 0 3 287.407 2.095 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC000967780603 613024181 /nfs/dbraw/zinc/02/41/81/613024181.db2.gz REKFUCKAGKKRDW-GOEBONIOSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cocc2C)C1 ZINC000967746585 613025227 /nfs/dbraw/zinc/02/52/27/613025227.db2.gz IODANBBWACMJRO-SWLSCSKDSA-N 0 3 274.364 2.052 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)[C@H](C)c2cccnc2)C(C)(C)C1 ZINC000977478741 613031987 /nfs/dbraw/zinc/03/19/87/613031987.db2.gz 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/nfs/dbraw/zinc/44/70/14/629447014.db2.gz BACJDNIAKKPTPW-NWDGAFQWSA-N 0 3 265.382 2.170 20 30 CEEDHN C#CCCCN1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000795140448 629453483 /nfs/dbraw/zinc/45/34/83/629453483.db2.gz DMJPVDADVSYUIO-KBPBESRZSA-N 0 3 264.413 2.367 20 30 CEEDHN C=CCOCCNCc1c2ccccc2[nH]c1C(=O)OC ZINC000894432093 629456994 /nfs/dbraw/zinc/45/69/94/629456994.db2.gz WFVDBTLRGSPNAO-UHFFFAOYSA-N 0 3 288.347 2.247 20 30 CEEDHN C=CCN1CCN(CN2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)C1=O ZINC000902615478 634745008 /nfs/dbraw/zinc/74/50/08/634745008.db2.gz DQNSHDSPODSEFA-QSJFSLAZSA-N 0 3 287.407 2.012 20 30 CEEDHN CON1CCC(N(C)Cc2csc(C#N)c2)CC1 ZINC000894813958 629654994 /nfs/dbraw/zinc/65/49/94/629654994.db2.gz XGVRJUKGYRCVPN-UHFFFAOYSA-N 0 3 265.382 2.077 20 30 CEEDHN C#CC[C@H](COC)Nc1ccnc2ccc(OC)cc21 ZINC000894830702 629670014 /nfs/dbraw/zinc/67/00/14/629670014.db2.gz RAOIYZFPPSCFRE-GFCCVEGCSA-N 0 3 270.332 2.116 20 30 CEEDHN Cc1ccccc1-c1nsc(NCC#CCN(C)C)n1 ZINC000894876906 629712555 /nfs/dbraw/zinc/71/25/55/629712555.db2.gz UVBSZMNUKICBAQ-UHFFFAOYSA-N 0 3 286.404 2.490 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)c2ccccc2SCC#N)CCN1C ZINC000928452667 629715340 /nfs/dbraw/zinc/71/53/40/629715340.db2.gz NVRWHDFZZZEBER-AAEUAGOBSA-N 0 3 289.404 2.125 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc2c(c1)COC(C)(C)O2 ZINC000895094104 629889206 /nfs/dbraw/zinc/88/92/06/629889206.db2.gz ACNYGXJAUDNTLM-HNNXBMFYSA-N 0 3 289.375 2.196 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)CCC(F)F ZINC000796632935 629948536 /nfs/dbraw/zinc/94/85/36/629948536.db2.gz OJQQLBLWOOFTPM-VIFPVBQESA-N 0 3 260.284 2.047 20 30 CEEDHN C[C@@H](C[NH2+][C@H]1CCCN([O-])C1=O)c1cc(F)cc(F)c1 ZINC000895159074 629975695 /nfs/dbraw/zinc/97/56/95/629975695.db2.gz RMKBEVUZGOXANG-ZANVPECISA-N 0 3 284.306 2.038 20 30 CEEDHN Cc1cncc(CCC(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000796757297 629992666 /nfs/dbraw/zinc/99/26/66/629992666.db2.gz VKXXBHAZZAATQY-HNNXBMFYSA-N 0 3 299.374 2.090 20 30 CEEDHN Cn1ccc(CCC(=O)C(C#N)c2nc3ccccc3o2)n1 ZINC000796777097 629998712 /nfs/dbraw/zinc/99/87/12/629998712.db2.gz ZOACBCFHAGYSHN-GFCCVEGCSA-N 0 3 294.314 2.370 20 30 CEEDHN C#CC1(O)CCN(Cc2ccc(OCC=C)cc2)CC1 ZINC000895377980 630148652 /nfs/dbraw/zinc/14/86/52/630148652.db2.gz BBWSLEOQZBKHFD-UHFFFAOYSA-N 0 3 271.360 2.212 20 30 CEEDHN C#C[C@H]1CCCCN1C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000895627620 630278987 /nfs/dbraw/zinc/27/89/87/630278987.db2.gz MYHBXEIAZNAIQY-KBPBESRZSA-N 0 3 277.412 2.057 20 30 CEEDHN C[C@H]1[C@H](Nc2c(C#N)cnn2-c2ccccc2)CCN1C ZINC000895738329 630327758 /nfs/dbraw/zinc/32/77/58/630327758.db2.gz VHDZMJWROMNSFN-SWLSCSKDSA-N 0 3 281.363 2.248 20 30 CEEDHN C=CCC1(O)CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000895835783 630372046 /nfs/dbraw/zinc/37/20/46/630372046.db2.gz OXTITJXUGFNGQN-UHFFFAOYSA-N 0 3 277.364 2.304 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000895947587 630410830 /nfs/dbraw/zinc/41/08/30/630410830.db2.gz JZPNDQUVMGCGKL-KGLIPLIRSA-N 0 3 279.428 2.467 20 30 CEEDHN CN1CCN(c2ccc(CN3CCC[C@H](C#N)C3)cc2)CC1 ZINC000896502791 630583669 /nfs/dbraw/zinc/58/36/69/630583669.db2.gz HKHGVUJNYGLPBH-QGZVFWFLSA-N 0 3 298.434 2.174 20 30 CEEDHN CN1CCN(c2ccc(CN3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000896502790 630583995 /nfs/dbraw/zinc/58/39/95/630583995.db2.gz HKHGVUJNYGLPBH-KRWDZBQOSA-N 0 3 298.434 2.174 20 30 CEEDHN N#Cc1ccc(NC[C@@H]2CCN2C2CCOCC2)c(F)c1 ZINC000896519148 630587830 /nfs/dbraw/zinc/58/78/30/630587830.db2.gz SGTVWZTXHRWYKS-AWEZNQCLSA-N 0 3 289.354 2.363 20 30 CEEDHN COC(=O)[C@H]1[C@H](CNCc2ccc(C)c(C#N)c2)C1(F)F ZINC000896880709 630699726 /nfs/dbraw/zinc/69/97/26/630699726.db2.gz LZDMZEUBYWLVNE-QWHCGFSZSA-N 0 3 294.301 2.011 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cn(-c2ccccc2)nn1 ZINC000797878308 630771309 /nfs/dbraw/zinc/77/13/09/630771309.db2.gz SPFYXEZXRONSFK-PBHICJAKSA-N 0 3 298.390 2.338 20 30 CEEDHN CC#CCN(C)Cc1ccc(-n2cncn2)c(C)c1 ZINC000897167345 630968451 /nfs/dbraw/zinc/96/84/51/630968451.db2.gz ZBRSBASNZQFXOT-UHFFFAOYSA-N 0 3 254.337 2.031 20 30 CEEDHN Cc1nnc(NCCN2CCC(C)(C)C2)c(C#N)c1C ZINC000897249119 631016444 /nfs/dbraw/zinc/01/64/44/631016444.db2.gz MITOSKWRHVDBLB-UHFFFAOYSA-N 0 3 273.384 2.109 20 30 CEEDHN Cc1ncc2c(n1)CCC[C@@H]2N[C@H]1CC[C@@H](C#N)C1 ZINC000799718566 631068764 /nfs/dbraw/zinc/06/87/64/631068764.db2.gz FRWWAQLGBBKIBO-XUJVJEKNSA-N 0 3 256.353 2.444 20 30 CEEDHN C#CCC1(NCc2c(C)nc3sc(C)nn23)CCC1 ZINC000897351149 631160891 /nfs/dbraw/zinc/16/08/91/631160891.db2.gz UJGLRPZQSFNKGH-UHFFFAOYSA-N 0 3 274.393 2.443 20 30 CEEDHN C[C@@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)C1CC1 ZINC000985843681 631188474 /nfs/dbraw/zinc/18/84/74/631188474.db2.gz IXWMIBBYVXCYMH-YGRLFVJLSA-N 0 3 289.404 2.109 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000321068179 631242509 /nfs/dbraw/zinc/24/25/09/631242509.db2.gz ZLXJZXFSPLLUQO-GFCCVEGCSA-N 0 3 250.298 2.012 20 30 CEEDHN Cc1ccc(CNCCNc2ccc(C#N)cn2)o1 ZINC000897398552 631288133 /nfs/dbraw/zinc/28/81/33/631288133.db2.gz IFKMWXYTASGPSF-UHFFFAOYSA-N 0 3 256.309 2.056 20 30 CEEDHN CO[C@@H]1C[C@@H](N[C@@H](C)c2cc(C#N)ccn2)C1(C)C ZINC000902836603 634852455 /nfs/dbraw/zinc/85/24/55/634852455.db2.gz YYRFFIYJESQKIW-ZLKJLUDKSA-N 0 3 259.353 2.417 20 30 CEEDHN CCC(=O)N1C[C@H](NCc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000987657603 631440363 /nfs/dbraw/zinc/44/03/63/631440363.db2.gz QNLUZXUXVOTRGU-BXUZGUMPSA-N 0 3 289.354 2.186 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3ccco3)o2)C1 ZINC000989157582 631737593 /nfs/dbraw/zinc/73/75/93/631737593.db2.gz FMHAQTLYNNOGIA-CHWSQXEVSA-N 0 3 298.342 2.365 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC000989275697 631766005 /nfs/dbraw/zinc/76/60/05/631766005.db2.gz PWCSWCJCAIHPKK-DZGCQCFKSA-N 0 3 295.386 2.302 20 30 CEEDHN C#C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C(C)(C)C ZINC000807882478 631882251 /nfs/dbraw/zinc/88/22/51/631882251.db2.gz QHFPPKIAWCQTNT-UONOGXRCSA-N 0 3 264.413 2.415 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000876069151 650040370 /nfs/dbraw/zinc/04/03/70/650040370.db2.gz NWDZHXQVXGZJKM-WBVHZDCISA-N 0 3 299.418 2.232 20 30 CEEDHN N#CC1(c2ccc(CN3CC4(C3)CCOC4)cc2)CC1 ZINC000826023739 635748198 /nfs/dbraw/zinc/74/81/98/635748198.db2.gz FCOLWLJVSJVSEJ-UHFFFAOYSA-N 0 3 268.360 2.464 20 30 CEEDHN C#C[C@H](NCc1cccc(NS(C)(=O)=O)c1)C(C)(C)C ZINC000809781745 632145525 /nfs/dbraw/zinc/14/55/25/632145525.db2.gz ZSLWVNBSOQQZEC-AWEZNQCLSA-N 0 3 294.420 2.196 20 30 CEEDHN C#Cc1ccc(C(=O)N2CCCN(CCCC)CC2)nc1 ZINC000989512245 632196269 /nfs/dbraw/zinc/19/62/69/632196269.db2.gz BNZKJSIMJZRELO-UHFFFAOYSA-N 0 3 285.391 2.011 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc3c2ccn3C)C1 ZINC000989561426 632205557 /nfs/dbraw/zinc/20/55/57/632205557.db2.gz CUHPKNPIUVLRLW-KGLIPLIRSA-N 0 3 295.386 2.004 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCc2cc(C)cc(C)c2)C1 ZINC000989649308 632218519 /nfs/dbraw/zinc/21/85/19/632218519.db2.gz DTAKVFNYOJXTNP-FUHWJXTLSA-N 0 3 298.430 2.448 20 30 CEEDHN Cc1cccc(CC(=O)C(C#N)C(=O)NC2CC2)c1Cl ZINC000810533016 632223400 /nfs/dbraw/zinc/22/34/00/632223400.db2.gz XSOCJNYVGBAYGD-GFCCVEGCSA-N 0 3 290.750 2.178 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2sc(C)cc2C)C1 ZINC000989737602 632234393 /nfs/dbraw/zinc/23/43/93/632234393.db2.gz ZRLRVVOETNVVMB-OCCSQVGLSA-N 0 3 290.432 2.120 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc(C3CC3)c2)C1 ZINC000989835513 632249388 /nfs/dbraw/zinc/24/93/88/632249388.db2.gz SWOPPTWAXHATGJ-CXAGYDPISA-N 0 3 282.387 2.390 20 30 CEEDHN C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC000989960998 632290936 /nfs/dbraw/zinc/29/09/36/632290936.db2.gz PTXAOTUXNBWFTL-AEFFLSMTSA-N 0 3 298.386 2.142 20 30 CEEDHN C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC000989960998 632290939 /nfs/dbraw/zinc/29/09/39/632290939.db2.gz PTXAOTUXNBWFTL-AEFFLSMTSA-N 0 3 298.386 2.142 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C3C(C)(C)C3(C)C)CCC[C@H]12 ZINC000990147346 632320823 /nfs/dbraw/zinc/32/08/23/632320823.db2.gz BOQXZBJXRBOOMZ-SCLBCKFNSA-N 0 3 288.435 2.415 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)C3CC(C)C3)CCC[C@@H]12 ZINC000990176022 632323737 /nfs/dbraw/zinc/32/37/37/632323737.db2.gz MCRVMFASFYDHGG-UWTIDYAISA-N 0 3 262.397 2.332 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3[nH]ccc3C)CCC[C@H]12 ZINC000990499233 632372138 /nfs/dbraw/zinc/37/21/38/632372138.db2.gz XSIWIIKCPIBSTO-YOEHRIQHSA-N 0 3 285.391 2.073 20 30 CEEDHN CCOCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813217795 632651059 /nfs/dbraw/zinc/65/10/59/632651059.db2.gz PBQSWVWMBUAKFW-VIFPVBQESA-N 0 3 272.226 2.313 20 30 CEEDHN CCO[C@H](C/N=C/c1cc(Cl)ccc1[O-])C[NH+](C)C ZINC000899226377 632742564 /nfs/dbraw/zinc/74/25/64/632742564.db2.gz QOVYZXZXDMMVST-WJHGTXIHSA-N 0 3 284.787 2.431 20 30 CEEDHN C=CCC(F)(F)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000815018131 632950564 /nfs/dbraw/zinc/95/05/64/632950564.db2.gz HHNYKUCBHPWUSB-VXGBXAGGSA-N 0 3 274.355 2.434 20 30 CEEDHN CN(C)CCN(CCc1ccccc1)C(=O)CC1(C#N)CC1 ZINC000815052065 632952552 /nfs/dbraw/zinc/95/25/52/632952552.db2.gz BKSJFZSCIDBFAU-UHFFFAOYSA-N 0 3 299.418 2.313 20 30 CEEDHN CCc1ccc(C#CC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000815772651 633058871 /nfs/dbraw/zinc/05/88/71/633058871.db2.gz OBGXWCOLZAFQJO-YOEHRIQHSA-N 0 3 296.414 2.342 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(O)ccc2C)CC1 ZINC000900597924 633777710 /nfs/dbraw/zinc/77/77/10/633777710.db2.gz CBVDGFUNGFTZFR-UHFFFAOYSA-N 0 3 274.364 2.081 20 30 CEEDHN C=CC[NH+](CC=C)Cc1ccccc1-c1nnn[n-]1 ZINC000819743930 634248585 /nfs/dbraw/zinc/24/85/85/634248585.db2.gz TUQZQCDURAVKEC-UHFFFAOYSA-N 0 3 255.325 2.041 20 30 CEEDHN OCCN1CCC(N=Nc2ccc3ccccc3n2)CC1 ZINC000819801580 634267302 /nfs/dbraw/zinc/26/73/02/634267302.db2.gz KTUFOLBETUEPBD-UHFFFAOYSA-N 0 3 284.363 2.091 20 30 CEEDHN C#Cc1cccc(CNC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC000822017994 634836812 /nfs/dbraw/zinc/83/68/12/634836812.db2.gz WUYRNCQEEFZSSX-INIZCTEOSA-N 0 3 270.376 2.157 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cn(CCC)nn1 ZINC000902979682 634917565 /nfs/dbraw/zinc/91/75/65/634917565.db2.gz VEQXBWKAPNFEKJ-NFAWXSAZSA-N 0 3 278.400 2.320 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297.362 2.018 20 30 CEEDHN Cc1ccc(C#N)cc1C(=O)N(C)CCN1CCCCC1 ZINC000824109681 635353793 /nfs/dbraw/zinc/35/37/93/635353793.db2.gz XPJBWBSVMDZQKQ-UHFFFAOYSA-N 0 3 285.391 2.425 20 30 CEEDHN CCCCN([O-])C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000904212890 635521819 /nfs/dbraw/zinc/52/18/19/635521819.db2.gz XBSHIZJQQCYPFS-ZDUSSCGKSA-N 0 3 254.374 2.411 20 30 CEEDHN CCCCN([O-])C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000904212890 635521824 /nfs/dbraw/zinc/52/18/24/635521824.db2.gz XBSHIZJQQCYPFS-ZDUSSCGKSA-N 0 3 254.374 2.411 20 30 CEEDHN CC1/C(=C\c2cccc3c2OCCCO3)C(=O)c2ncnn21 ZINC000905082339 635798172 /nfs/dbraw/zinc/79/81/72/635798172.db2.gz VRBXVILGHHLEFR-MJWAUXSNSA-N 0 3 297.314 2.280 20 30 CEEDHN CC1/C(=C\c2ccc(C(F)(F)F)[nH]2)C(=O)c2ncnn21 ZINC000905087239 635801755 /nfs/dbraw/zinc/80/17/55/635801755.db2.gz WRTDDWWAAMURGO-LDHBFYIBSA-N 0 3 282.225 2.466 20 30 CEEDHN CC(C)(C)NCc1cn(Cc2cccc(C#N)c2)nn1 ZINC000905059023 635805621 /nfs/dbraw/zinc/80/56/21/635805621.db2.gz MOXGMETZZSKMRH-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/40/80/53/650408053.db2.gz FJGSYZFXWUMHLS-VHSXEESVSA-N 0 3 292.770 2.210 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CCc2ccccc2C1 ZINC000911895928 638459447 /nfs/dbraw/zinc/45/94/47/638459447.db2.gz YPCMYJDCPNLOML-HNNXBMFYSA-N 0 3 258.365 2.255 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccccc1F ZINC000911989523 638509466 /nfs/dbraw/zinc/50/94/66/638509466.db2.gz IOMPWXCWUQLEGD-CYBMUJFWSA-N 0 3 250.317 2.126 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)C1CCCCC1 ZINC000836322864 638600426 /nfs/dbraw/zinc/60/04/26/638600426.db2.gz CHDBAXZEZONMIF-AWEZNQCLSA-N 0 3 279.428 2.210 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(Cl)nc1 ZINC000912192611 638609462 /nfs/dbraw/zinc/60/94/62/638609462.db2.gz APIUGWHOQAQPKR-JTQLQIEISA-N 0 3 253.733 2.357 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000912249464 638625174 /nfs/dbraw/zinc/62/51/74/638625174.db2.gz XWRYXUXXUWPPCV-ZDUSSCGKSA-N 0 3 290.363 2.404 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1ccc(C)s1 ZINC000836431316 638630618 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ZINC000837583574 639294080 /nfs/dbraw/zinc/29/40/80/639294080.db2.gz ZPZZENXFJDPMLW-AWEZNQCLSA-N 0 3 262.397 2.169 20 30 CEEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000156480379 639357823 /nfs/dbraw/zinc/35/78/23/639357823.db2.gz WCSZKVXXJJZSKH-STQMWFEESA-N 0 3 290.388 2.153 20 30 CEEDHN CN(CCOC(=O)c1ccc(C#N)o1)Cc1ccccc1 ZINC000837739976 639368535 /nfs/dbraw/zinc/36/85/35/639368535.db2.gz HSIHJQMXYRSFGX-UHFFFAOYSA-N 0 3 284.315 2.440 20 30 CEEDHN N#Cc1cnc(Cl)c(CNCC2(O)CCCCC2)c1 ZINC000876999100 650525950 /nfs/dbraw/zinc/52/59/50/650525950.db2.gz VPUHIJAHMCQDNO-UHFFFAOYSA-N 0 3 279.771 2.391 20 30 CEEDHN CC(C)(C)CC(=NNC1=NCCN1)c1ccccc1 ZINC000841659508 639826561 /nfs/dbraw/zinc/82/65/61/639826561.db2.gz PEOBGWJLESULKO-UHFFFAOYSA-N 0 3 258.369 2.376 20 30 CEEDHN CCCCCCC[C@H](C)CNC(=O)NC[C@H]1CNCCO1 ZINC000841723038 639850628 /nfs/dbraw/zinc/85/06/28/639850628.db2.gz HHUDBPJSYVLTLS-LSDHHAIUSA-N 0 3 299.459 2.271 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C[C@H]3CC=CCC3)CCC[C@@H]12 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C#CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000842628651 640124552 /nfs/dbraw/zinc/12/45/52/640124552.db2.gz DHEHCALDZMFCRN-WBMJQRKESA-N 0 3 287.359 2.053 20 30 CEEDHN CC[C@@H](C)OCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000152305413 640202911 /nfs/dbraw/zinc/20/29/11/640202911.db2.gz GBUXXGVYYSMNCR-YPMHNXCESA-N 0 3 274.320 2.149 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1ccc(F)cc1F ZINC000152371663 640215791 /nfs/dbraw/zinc/21/57/91/640215791.db2.gz XFALWLAEFMMDKN-GFCCVEGCSA-N 0 3 294.301 2.131 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCc2ccc(Cl)cc21 ZINC000877093049 650569064 /nfs/dbraw/zinc/56/90/64/650569064.db2.gz NEPRESPEDGMIRC-ZIAGYGMSSA-N 0 3 291.782 2.465 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1C ZINC000992975617 640388675 /nfs/dbraw/zinc/38/86/75/640388675.db2.gz YEBJLJQNHLTJOW-XJKSGUPXSA-N 0 3 288.366 2.432 20 30 CEEDHN C#CC1CCN(Cc2cc(OC)c3c(c2)OCCO3)CC1 ZINC000843427890 640427018 /nfs/dbraw/zinc/42/70/18/640427018.db2.gz BEHABFCUIZAUJQ-UHFFFAOYSA-N 0 3 287.359 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C#C[C@@](C)(CC)NCC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000852102653 643307930 /nfs/dbraw/zinc/30/79/30/643307930.db2.gz MTGWCRQWKJGSFR-LRDDRELGSA-N 0 3 262.397 2.167 20 30 CEEDHN C#CCCCCCCN1CCO[C@@](C)(COC)C1 ZINC000877661368 650838895 /nfs/dbraw/zinc/83/88/95/650838895.db2.gz AQSMWNAUVMSNFV-OAHLLOKOSA-N 0 3 253.386 2.307 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2c(C)cncc2C)CC1 ZINC001005712672 643433814 /nfs/dbraw/zinc/43/38/14/643433814.db2.gz LHDHJLBALROGLZ-UHFFFAOYSA-N 0 3 287.407 2.421 20 30 CEEDHN C#CCCN(CCOC)C[C@@H](O)c1ccc(F)cc1Cl ZINC000852748470 643533841 /nfs/dbraw/zinc/53/38/41/643533841.db2.gz ABKZBMTXXASBJJ-OAHLLOKOSA-N 0 3 299.773 2.484 20 30 CEEDHN CC[C@]1(O)CCCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877691130 650852599 /nfs/dbraw/zinc/85/25/99/650852599.db2.gz JNQQQLNWGDSHDK-KRWDZBQOSA-N 0 3 287.407 2.361 20 30 CEEDHN CC(C)ON=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853354149 643753095 /nfs/dbraw/zinc/75/30/95/643753095.db2.gz XIHOZLNYFPKXBG-UHFFFAOYSA-N 0 3 262.353 2.407 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cccc3nc[nH]c32)CC1 ZINC001006178761 643777585 /nfs/dbraw/zinc/77/75/85/643777585.db2.gz YEMOTQHWXQBJRC-UHFFFAOYSA-N 0 3 298.390 2.285 20 30 CEEDHN COC(=O)C1(C#N)CCN(C[C@@H](C)CC(C)C)CC1 ZINC000824871079 643789615 /nfs/dbraw/zinc/78/96/15/643789615.db2.gz BCQMYOIGTSKBLS-ZDUSSCGKSA-N 0 3 266.385 2.447 20 30 CEEDHN CC(=O)N[C@@H]1CC12CCN(Cc1cccc(C#N)c1)CC2 ZINC001016439732 643802937 /nfs/dbraw/zinc/80/29/37/643802937.db2.gz BVUJFBFRBKBKLO-MRXNPFEDSA-N 0 3 283.375 2.049 20 30 CEEDHN N#Cc1cccc(CN2CC[C@H]3CSC[C@@H]3C2)n1 ZINC000877736591 650878958 /nfs/dbraw/zinc/87/89/58/650878958.db2.gz BMODCAVJIYRKBG-RYUDHWBXSA-N 0 3 259.378 2.138 20 30 CEEDHN C#C[C@@H](CC)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000854074369 643978615 /nfs/dbraw/zinc/97/86/15/643978615.db2.gz OMVPCYZSJRRCBV-DLBZAZTESA-N 0 3 299.418 2.314 20 30 CEEDHN C=CCONC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000838710610 644000324 /nfs/dbraw/zinc/00/03/24/644000324.db2.gz JIOJWRRXFZDFOE-JSGCOSHPSA-N 0 3 277.368 2.095 20 30 CEEDHN C=C(Br)CNCC(C)(C)CC(=O)OCC ZINC000838936629 644091826 /nfs/dbraw/zinc/09/18/26/644091826.db2.gz DLFJWRQDXAYQGL-UHFFFAOYSA-N 0 3 278.190 2.464 20 30 CEEDHN C#CCN(C)CCCNC(=O)CC[C@@H]1CC1(Cl)Cl ZINC000854663685 644121981 /nfs/dbraw/zinc/12/19/81/644121981.db2.gz CWQQXGHEXHCEQM-LLVKDONJSA-N 0 3 291.222 2.032 20 30 CEEDHN C=CCO[N-]C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000854852485 644185351 /nfs/dbraw/zinc/18/53/51/644185351.db2.gz OTSLOPOVLSILSN-MRXNPFEDSA-N 0 3 288.391 2.175 20 30 CEEDHN C=CCO[N-]C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000854852485 644185356 /nfs/dbraw/zinc/18/53/56/644185356.db2.gz OTSLOPOVLSILSN-MRXNPFEDSA-N 0 3 288.391 2.175 20 30 CEEDHN CC(C)OC(=O)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000886730893 644266121 /nfs/dbraw/zinc/26/61/21/644266121.db2.gz OYPJYCVFKGUPGD-JSGCOSHPSA-N 0 3 264.369 2.342 20 30 CEEDHN C#CCOCCN(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000839530741 644270189 /nfs/dbraw/zinc/27/01/89/644270189.db2.gz FHXISXCRQBCFKP-UHFFFAOYSA-N 0 3 299.317 2.378 20 30 CEEDHN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1occc1C ZINC000753929747 644294917 /nfs/dbraw/zinc/29/49/17/644294917.db2.gz RUBWJWOMZOAZGY-RYUDHWBXSA-N 0 3 260.341 2.172 20 30 CEEDHN N#CC(C(=O)C1CCC(=O)CC1)c1nc2ccccc2[nH]1 ZINC000753951536 644302201 /nfs/dbraw/zinc/30/22/01/644302201.db2.gz WUTJUTMECSQXSN-LBPRGKRZSA-N 0 3 281.315 2.498 20 30 CEEDHN COC[C@@H](C)CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000756234123 644619046 /nfs/dbraw/zinc/61/90/46/644619046.db2.gz QJYLRWIHIIXXSV-WCQYABFASA-N 0 3 274.320 2.007 20 30 CEEDHN CCCC[C@@H](ON=C(C)C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000856490176 644686435 /nfs/dbraw/zinc/68/64/35/644686435.db2.gz XGUNLLFDGSRJJO-HUUCEWRRSA-N 0 3 297.443 2.414 20 30 CEEDHN C#C[C@@H](CC)NCc1cc(C(=O)OC)c2n1CCCC2 ZINC000857045756 644798691 /nfs/dbraw/zinc/79/86/91/644798691.db2.gz WHKNCRSZAHFLMU-LBPRGKRZSA-N 0 3 274.364 2.112 20 30 CEEDHN C[C@@H](NC1COC(C)(C)OC1)c1ccc(OCC#N)cc1 ZINC000757697251 644836779 /nfs/dbraw/zinc/83/67/79/644836779.db2.gz IBAZHUNQVGSXBA-GFCCVEGCSA-N 0 3 290.363 2.391 20 30 CEEDHN CC(C)N1CC(N=Nc2ncc(Cl)cn2)[C@@H](C)C1 ZINC000857220829 644853977 /nfs/dbraw/zinc/85/39/77/644853977.db2.gz NWVYVNKMWICXGP-VIFPVBQESA-N 0 3 267.764 2.258 20 30 CEEDHN C#CC[C@H](COC)NCC1=Cc2ccccc2OC1 ZINC000858335646 645122995 /nfs/dbraw/zinc/12/29/95/645122995.db2.gz BNEVKAYPIWIQRY-OAHLLOKOSA-N 0 3 257.333 2.090 20 30 CEEDHN C#CC[C@@H](COC)NCc1cccc(OCC=C)c1 ZINC000858335675 645123422 /nfs/dbraw/zinc/12/34/22/645123422.db2.gz CLVHETVTWPMRMV-HNNXBMFYSA-N 0 3 259.349 2.379 20 30 CEEDHN C#CCCN1CCc2c(cnn2-c2ccccc2)C1 ZINC000760814891 645197630 /nfs/dbraw/zinc/19/76/30/645197630.db2.gz JHTUUVVIYWFZKK-UHFFFAOYSA-N 0 3 251.333 2.254 20 30 CEEDHN Cc1ccc(C)c([C@H]2CCCN2CC(=O)NCCC#N)c1 ZINC000761955123 645341788 /nfs/dbraw/zinc/34/17/88/645341788.db2.gz DGPUZSQGFDPDOG-MRXNPFEDSA-N 0 3 285.391 2.470 20 30 CEEDHN COC(=O)N[C@@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000762077225 645361099 /nfs/dbraw/zinc/36/10/99/645361099.db2.gz PRCUZQGSPNZSFE-IUCAKERBSA-N 0 3 295.364 2.187 20 30 CEEDHN Cc1ccc(CN2CCC(c3nnc[nH]3)CC2)cc1C#N ZINC000859158882 645394603 /nfs/dbraw/zinc/39/46/03/645394603.db2.gz JPRNAIGMZMNRBA-UHFFFAOYSA-N 0 3 281.363 2.364 20 30 CEEDHN C[C@H](CC(=O)C(C#N)C(=O)NC1CC1)c1cccc(F)c1 ZINC000116592755 645395403 /nfs/dbraw/zinc/39/54/03/645395403.db2.gz YJGVZTSWNRKQJQ-QMTHXVAHSA-N 0 3 288.322 2.307 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc(O)c(C)cc2C)CC1 ZINC000762700383 645439330 /nfs/dbraw/zinc/43/93/30/645439330.db2.gz YQJXRUBVRPPBPR-UHFFFAOYSA-N 0 3 286.375 2.293 20 30 CEEDHN COCC#CCN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000762926875 645481292 /nfs/dbraw/zinc/48/12/92/645481292.db2.gz XBCJPRKZXBZLCU-INIZCTEOSA-N 0 3 289.375 2.023 20 30 CEEDHN C#CC[C@H](NC[C@H]1CC2(CC2)C(=O)O1)c1ccccc1 ZINC000763740719 645572850 /nfs/dbraw/zinc/57/28/50/645572850.db2.gz ZUUUTWWOUDGZIG-CABCVRRESA-N 0 3 269.344 2.436 20 30 CEEDHN C=C(Cl)CN1CCC(CC)(N2CCOCC2)CC1 ZINC000860026532 645678401 /nfs/dbraw/zinc/67/84/01/645678401.db2.gz OAPPXNUHXFCAIT-UHFFFAOYSA-N 0 3 272.820 2.316 20 30 CEEDHN N#CCc1cccc2c1CCN(CCC1OCCCO1)C2 ZINC000860106257 645702314 /nfs/dbraw/zinc/70/23/14/645702314.db2.gz CIGDPKWSPOPVIY-UHFFFAOYSA-N 0 3 286.375 2.264 20 30 CEEDHN C#CCCCCCN(CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000878240381 651043766 /nfs/dbraw/zinc/04/37/66/651043766.db2.gz GTOGAWVIBORWNJ-HNNXBMFYSA-N 0 3 285.453 2.469 20 30 CEEDHN CC(=O)N[C@H](CC(C)C)C(=O)C(C#N)c1nc(C)cs1 ZINC000860449484 645795995 /nfs/dbraw/zinc/79/59/95/645795995.db2.gz ACGKFORINKKLOF-VXGBXAGGSA-N 0 3 293.392 2.179 20 30 CEEDHN CC1(C)[C@@]2(C)CC[C@]1(C(=O)C(C#N)c1ccccn1)OC2=O ZINC000860467232 645799422 /nfs/dbraw/zinc/79/94/22/645799422.db2.gz HDGITLIOAVNDLX-MZPVMMEZSA-N 0 3 298.342 2.380 20 30 CEEDHN C=CC[C@@H](C)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000878261299 651048354 /nfs/dbraw/zinc/04/83/54/651048354.db2.gz LFECOKHVPQYTIQ-GFCCVEGCSA-N 0 3 284.354 2.360 20 30 CEEDHN C=CC[C@@H](C)N1CCN(c2nc(C)cc(C)n2)CC1 ZINC000878284754 651052781 /nfs/dbraw/zinc/05/27/81/651052781.db2.gz VHCGFXXCQRQFQU-CQSZACIVSA-N 0 3 260.385 2.180 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC000861838041 646277639 /nfs/dbraw/zinc/27/76/39/646277639.db2.gz OVUCNKGTNJIPKE-DLBZAZTESA-N 0 3 284.403 2.170 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2ccc(-n3ccnc3)nc2)C1 ZINC000769940770 646337520 /nfs/dbraw/zinc/33/75/20/646337520.db2.gz BQKUVMVEKLJAJL-OCCSQVGLSA-N 0 3 267.336 2.049 20 30 CEEDHN C#CC[C@@H]1CCN(Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000862447265 646466086 /nfs/dbraw/zinc/46/60/86/646466086.db2.gz KSXIMPAMHXBYSZ-GFCCVEGCSA-N 0 3 275.323 2.458 20 30 CEEDHN C#CC[C@@H](COC)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000862548740 646494449 /nfs/dbraw/zinc/49/44/49/646494449.db2.gz NAHMIADRAVWEQY-ZDUSSCGKSA-N 0 3 267.756 2.482 20 30 CEEDHN COCCOc1ccc(C=NNc2ccnc(C)c2)cc1 ZINC000863158552 646656842 /nfs/dbraw/zinc/65/68/42/646656842.db2.gz GQKQLVGXMJAXSI-UHFFFAOYSA-N 0 3 285.347 2.283 20 30 CEEDHN CCN(C)c1ccc(C(C)=NNC(COC)COC)cc1 ZINC000863196110 646669608 /nfs/dbraw/zinc/66/96/08/646669608.db2.gz XSMQWBRBXOIDLC-UHFFFAOYSA-N 0 3 293.411 2.118 20 30 CEEDHN N#Cc1ccc(CNCCc2nnc3ccccn32)c(F)c1 ZINC000772904777 646686484 /nfs/dbraw/zinc/68/64/84/646686484.db2.gz QLPSTBHKYLABLZ-UHFFFAOYSA-N 0 3 295.321 2.072 20 30 CEEDHN CCOCCON=Cc1ccc(N(CC)CCO)cc1C ZINC000774430195 646845723 /nfs/dbraw/zinc/84/57/23/646845723.db2.gz FRGSOJZGBPUPLT-UHFFFAOYSA-N 0 3 294.395 2.201 20 30 CEEDHN C#CCNC(=O)CN[C@H](CC(C)C)c1ccccc1C ZINC000775406626 646950983 /nfs/dbraw/zinc/95/09/83/646950983.db2.gz JRVWPLYYYXBSKV-MRXNPFEDSA-N 0 3 272.392 2.421 20 30 CEEDHN C#CCNC(=O)CN[C@H](c1ccccc1C)C(C)(C)C ZINC000775463026 646957240 /nfs/dbraw/zinc/95/72/40/646957240.db2.gz HIIUSEKYTVPDTI-MRXNPFEDSA-N 0 3 272.392 2.421 20 30 CEEDHN C#CCNC(=O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000776026623 647017184 /nfs/dbraw/zinc/01/71/84/647017184.db2.gz QYQZPQPEPIDFPV-SGIREYDYSA-N 0 3 290.794 2.376 20 30 CEEDHN CN(C)c1ccncc1C=NNC(=S)Nc1ccccc1 ZINC000776183809 647033134 /nfs/dbraw/zinc/03/31/34/647033134.db2.gz PTSBOBDIKSNWFM-UHFFFAOYSA-N 0 3 299.403 2.468 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CNC[C@H](O)c1ccccc1 ZINC000865400522 647274090 /nfs/dbraw/zinc/27/40/90/647274090.db2.gz HBLKCEDDQQPGPL-SFHVURJKSA-N 0 3 295.386 2.447 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CNCc1ccn(C)c1 ZINC000865480427 647317269 /nfs/dbraw/zinc/31/72/69/647317269.db2.gz BXHCOOYOWMPQLK-UHFFFAOYSA-N 0 3 268.364 2.253 20 30 CEEDHN CC(C)CC(=NNC1=NC[C@@H](C)N1)c1ccccc1 ZINC000779793281 647354358 /nfs/dbraw/zinc/35/43/58/647354358.db2.gz RSOHWIBVOBCZHG-GFCCVEGCSA-N 0 3 258.369 2.374 20 30 CEEDHN C[C@H]1CN=C(NN=C2CCCCc3ccccc32)N1 ZINC000779792394 647354483 /nfs/dbraw/zinc/35/44/83/647354483.db2.gz NFGLMFIODCBUSY-NSHDSACASA-N 0 3 256.353 2.054 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CNCc1ccc(CO)cc1 ZINC000865611783 647386359 /nfs/dbraw/zinc/38/63/59/647386359.db2.gz FDTBQTNWKGLUOY-UHFFFAOYSA-N 0 3 295.386 2.406 20 30 CEEDHN C=CCC1(NCc2cn(C[C@H]3CCCO3)nn2)CCCC1 ZINC000865629951 647396510 /nfs/dbraw/zinc/39/65/10/647396510.db2.gz WEPVOUDIHMLLLS-OAHLLOKOSA-N 0 3 290.411 2.436 20 30 CEEDHN C=CC(C)(C)CCNCc1cn(C[C@H]2CCCO2)nn1 ZINC000865638648 647400443 /nfs/dbraw/zinc/40/04/43/647400443.db2.gz IEOIVMUNIPZCCJ-CQSZACIVSA-N 0 3 278.400 2.149 20 30 CEEDHN CC(C)(C)OC1CC(NCc2ccc(C#N)cn2)C1 ZINC000783300655 647707392 /nfs/dbraw/zinc/70/73/92/647707392.db2.gz OZGBSXOUMDNRHJ-UHFFFAOYSA-N 0 3 259.353 2.389 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)c1cccs1 ZINC000121766221 647952183 /nfs/dbraw/zinc/95/21/83/647952183.db2.gz DMGMKGVHJQSYML-ZJUUUORDSA-N 0 3 264.350 2.085 20 30 CEEDHN C=CCOCC(=O)N1c2ccccc2[C@H](N)C1(C)C ZINC000867989581 648013085 /nfs/dbraw/zinc/01/30/85/648013085.db2.gz BGCPZBIOOOGAGR-AWEZNQCLSA-N 0 3 260.337 2.014 20 30 CEEDHN COc1cc(CN(C)C)ccc1NC(=O)C#CC1CC1 ZINC000868817899 648276752 /nfs/dbraw/zinc/27/67/52/648276752.db2.gz OHIMIEKCIVTMSB-UHFFFAOYSA-N 0 3 272.348 2.109 20 30 CEEDHN COc1ccc(C(C)=N[N-]c2[nH+]ccn2C)cc1F ZINC000790299601 648402964 /nfs/dbraw/zinc/40/29/64/648402964.db2.gz FZVBWDHUBQGNDG-UHFFFAOYSA-N 0 3 262.288 2.404 20 30 CEEDHN Cn1ccnc1N=NCc1ccc(Oc2cnccn2)cc1 ZINC000790302686 648404840 /nfs/dbraw/zinc/40/48/40/648404840.db2.gz XGKKSYNBTUVGSW-UHFFFAOYSA-N 0 3 294.318 2.448 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000791074251 648480342 /nfs/dbraw/zinc/48/03/42/648480342.db2.gz RIYLDZGNVZPLIH-HOTGVXAUSA-N 0 3 287.407 2.390 20 30 CEEDHN CC[C@@](C)(CC(=O)OC)NCC#Cc1ccccc1 ZINC000792260708 648632242 /nfs/dbraw/zinc/63/22/42/648632242.db2.gz QCFDHPONSRLKIX-INIZCTEOSA-N 0 3 259.349 2.360 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](C)CC2CCC2)CC1 ZINC000871086365 648998299 /nfs/dbraw/zinc/99/82/99/648998299.db2.gz DYVRLOCMYFULHV-ZDUSSCGKSA-N 0 3 262.397 2.027 20 30 CEEDHN CN1CCN(C(=O)C#Cc2cccs2)CCC1(C)C ZINC000871157338 649017628 /nfs/dbraw/zinc/01/76/28/649017628.db2.gz LSRLXBZPQOQDSK-UHFFFAOYSA-N 0 3 276.405 2.042 20 30 CEEDHN C#C[C@H]1CC[C@H](N[C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000871939564 649221348 /nfs/dbraw/zinc/22/13/48/649221348.db2.gz XCOSDLFIJKTVJF-CQDKDKBSSA-N 0 3 274.339 2.134 20 30 CEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCCC[C@@H]1F ZINC000872219026 649320195 /nfs/dbraw/zinc/32/01/95/649320195.db2.gz QFCZHJOTRSPXNH-SOUVJXGZSA-N 0 3 292.354 2.168 20 30 CEEDHN C[C@H]1C(N=Nc2ccc3c(cc[nH]c3=O)c2)CCN1C ZINC000872370674 649370485 /nfs/dbraw/zinc/37/04/85/649370485.db2.gz CUEOZXINOOFJFI-JTQLQIEISA-N 0 3 270.336 2.020 20 30 CEEDHN Cc1cc([N+](=O)[O-])ccc1N=NC1CCN(C)[C@H]1C ZINC000872374010 649371754 /nfs/dbraw/zinc/37/17/54/649371754.db2.gz QAOGOSRFCKVVEC-JTQLQIEISA-N 0 3 262.313 2.395 20 30 CEEDHN CCNc1ccccc1C=NNCCCn1ccnc1 ZINC000872387202 649377001 /nfs/dbraw/zinc/37/70/01/649377001.db2.gz HHRJAVRXUSYUAM-UHFFFAOYSA-N 0 3 271.368 2.329 20 30 CEEDHN CN1CCC[C@H]2[C@@H]1CCN2c1nc2ncccc2cc1C#N ZINC000872779772 649486786 /nfs/dbraw/zinc/48/67/86/649486786.db2.gz TYMDVEDEPCVBFU-GJZGRUSLSA-N 0 3 293.374 2.174 20 30 CEEDHN COC(=O)N1CCC(NCc2cccc(F)c2C#N)CC1 ZINC000873021900 649533465 /nfs/dbraw/zinc/53/34/65/649533465.db2.gz HBBWDGAVSLQBAL-UHFFFAOYSA-N 0 3 291.326 2.018 20 30 CEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)C1CCC=CCC1 ZINC000873498493 649689143 /nfs/dbraw/zinc/68/91/43/649689143.db2.gz DMNMINFNONLXCV-CYBMUJFWSA-N 0 3 283.331 2.475 20 30 CEEDHN C#CCOc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)cc1 ZINC000874835684 649846970 /nfs/dbraw/zinc/84/69/70/649846970.db2.gz AQYHJCLDTNKVSV-IRXDYDNUSA-N 0 3 298.386 2.007 20 30 CEEDHN C#C[C@](C)(CC)NCc1ccc2oc(=O)n(C)c2c1 ZINC000878660816 651155721 /nfs/dbraw/zinc/15/57/21/651155721.db2.gz NBPBCQBDMCENFQ-OAHLLOKOSA-N 0 3 258.321 2.023 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@H]2CCC(C)(C)CO2)CC1 ZINC000878750981 651178987 /nfs/dbraw/zinc/17/89/87/651178987.db2.gz PSADLXJDOVLQMH-OAHLLOKOSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN(C[C@@H]1CC2(CCC2)CO1)[C@@H](C)COC ZINC000878889786 651204584 /nfs/dbraw/zinc/20/45/84/651204584.db2.gz IIIDLRMJOFLOCK-KBPBESRZSA-N 0 3 253.386 2.469 20 30 CEEDHN CO[C@@H](CN1CCN(c2ccc(C#N)cc2)CC1)C1CCC1 ZINC000879587490 651327957 /nfs/dbraw/zinc/32/79/57/651327957.db2.gz WEEPGGTZIKAVCX-SFHVURJKSA-N 0 3 299.418 2.495 20 30 CEEDHN CC#CCCN(C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000880079199 651382549 /nfs/dbraw/zinc/38/25/49/651382549.db2.gz HDXWKCOCNPBKLA-HNNXBMFYSA-N 0 3 272.348 2.357 20 30 CEEDHN N#CCC1(CN[C@@]2(c3ccccc3)C[C@@H](O)C2)CC1 ZINC000880221269 651402604 /nfs/dbraw/zinc/40/26/04/651402604.db2.gz BSWIGHBSQOTMGV-FZNQNYSPSA-N 0 3 256.349 2.320 20 30 CEEDHN CC#CCCN1CCc2cc(C(=O)OC)ccc2C1 ZINC000880351778 651428156 /nfs/dbraw/zinc/42/81/56/651428156.db2.gz DHOIZYVWJINBOW-UHFFFAOYSA-N 0 3 257.333 2.245 20 30 CEEDHN C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1CC(=O)NCC#N ZINC000880591691 651467150 /nfs/dbraw/zinc/46/71/50/651467150.db2.gz HRTSHRVGLQSTKO-UKRRQHHQSA-N 0 3 285.391 2.283 20 30 CEEDHN C#CCN1CCC(C(=O)NCC2(CC3CC3)CC2)CC1 ZINC000881518285 651766833 /nfs/dbraw/zinc/76/68/33/651766833.db2.gz KJNVNOHTLOVHNS-UHFFFAOYSA-N 0 3 274.408 2.028 20 30 CEEDHN C=CCC[C@H](Cc1ccccc1)NCc1cnn(C)n1 ZINC000883222319 652404754 /nfs/dbraw/zinc/40/47/54/652404754.db2.gz RGOAWDGLBUIHPG-OAHLLOKOSA-N 0 3 270.380 2.482 20 30 CEEDHN C=CCC[C@@H](NCc1snnc1C)[C@@H]1CCCO1 ZINC000883224806 652405755 /nfs/dbraw/zinc/40/57/55/652405755.db2.gz UBZUDBNEBYVTGC-NEPJUHHUSA-N 0 3 267.398 2.450 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1ccc(Br)o1 ZINC000883401423 652457058 /nfs/dbraw/zinc/45/70/58/652457058.db2.gz MMKCJUZMGHHDBG-VIFPVBQESA-N 0 3 274.158 2.459 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cc(F)c(N(C)C)cc1F ZINC000883399736 652456210 /nfs/dbraw/zinc/45/62/10/652456210.db2.gz UJTSZIDOVARQJT-GFCCVEGCSA-N 0 3 284.350 2.448 20 30 CEEDHN Cc1ccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1F ZINC000884047480 652658065 /nfs/dbraw/zinc/65/80/65/652658065.db2.gz WLLWBBUKCYKFIY-BGMSHATGSA-N 0 3 287.338 2.212 20 30 CEEDHN CCN(C(=O)C1CC2(C1)CNC[C@H]2C#N)C1CCCCC1 ZINC000884047479 652658159 /nfs/dbraw/zinc/65/81/59/652658159.db2.gz WKRPBQWJTASVAG-XOYHFGRZSA-N 0 3 289.423 2.307 20 30 CEEDHN CCCCC[C@@H](C)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884047452 652658169 /nfs/dbraw/zinc/65/81/69/652658169.db2.gz VAGACOWKXMBVSW-ILTLLKDXSA-N 0 3 277.412 2.211 20 30 CEEDHN CC1CCC(N(C)C(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884058800 652675985 /nfs/dbraw/zinc/67/59/85/652675985.db2.gz VOPICJUISZKZRV-DJXCBJAISA-N 0 3 289.423 2.163 20 30 CEEDHN C[C@@H]1CCC[C@@H](N(C)C(=O)C2CC3(C2)CNC[C@@H]3C#N)C1 ZINC000884076559 652696807 /nfs/dbraw/zinc/69/68/07/652696807.db2.gz HVKYNZGVJJXVRQ-LQCZDEPNSA-N 0 3 289.423 2.163 20 30 CEEDHN C[C@@H]1CCC[C@@H](CNC(=O)C2CC3(C2)CNC[C@H]3C#N)C1 ZINC000884102597 652709413 /nfs/dbraw/zinc/70/94/13/652709413.db2.gz HXRBOCVTCVPJCG-RXKGYNAASA-N 0 3 289.423 2.068 20 30 CEEDHN CCC[C@H]1CCCCN1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884315325 652792454 /nfs/dbraw/zinc/79/24/54/652792454.db2.gz LXBPOFGQJUCEQW-DGNOSDGRSA-N 0 3 289.423 2.307 20 30 CEEDHN C=CCOc1cc(C)nc(N2CCN(CC(C)C)CC2)n1 ZINC001164653999 719334181 /nfs/dbraw/zinc/33/41/81/719334181.db2.gz JZGMURFAMIDKFZ-UHFFFAOYSA-N 0 3 290.411 2.128 20 30 CEEDHN Cc1ccc(C#N)c(N2CCN(C3CCCC3)CC2)n1 ZINC000052062946 721853962 /nfs/dbraw/zinc/85/39/62/721853962.db2.gz ZVWZTKPJNHARFL-UHFFFAOYSA-N 0 3 270.380 2.326 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2C=CCC2)[C@H]1CC ZINC001087496861 805585738 /nfs/dbraw/zinc/58/57/38/805585738.db2.gz OLQIWMQTBKIWKN-QLFBSQMISA-N 0 3 262.397 2.498 20 30 CEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2csnc2C)C1 ZINC001270950417 805697723 /nfs/dbraw/zinc/69/77/23/805697723.db2.gz SEAWDYBMHONCEJ-OAHLLOKOSA-N 0 3 293.436 2.469 20 30 CEEDHN C=CCCCC(=O)N(C)[C@H](C)CNCc1ccccn1 ZINC001271082649 805736235 /nfs/dbraw/zinc/73/62/35/805736235.db2.gz KVHQPVAKIDSHQK-CQSZACIVSA-N 0 3 275.396 2.374 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccnn2C(C)C)[C@H]1CC ZINC001087586232 805758493 /nfs/dbraw/zinc/75/84/93/805758493.db2.gz XCGISYFWOWNKQS-UONOGXRCSA-N 0 3 290.411 2.233 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2nocc2C)[C@H]1CC ZINC001087786509 805792179 /nfs/dbraw/zinc/79/21/79/805792179.db2.gz DXYSHHUPDCUIKB-QWHCGFSZSA-N 0 3 277.368 2.142 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccccc2C)[C@H]1CC ZINC001087823529 805804243 /nfs/dbraw/zinc/80/42/43/805804243.db2.gz BNVHDQHZNBZFOU-DLBZAZTESA-N 0 3 284.403 2.140 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)C2CCOCC2)[C@H]1CC ZINC001087852026 805817591 /nfs/dbraw/zinc/81/75/91/805817591.db2.gz CPCVLOIWOWRGEY-CWRNSKLLSA-N 0 3 294.439 2.204 20 30 CEEDHN CCC(=O)N1C[C@H]2CCN(Cc3cccc(C#N)c3)C[C@H]2C1 ZINC001087857116 805820067 /nfs/dbraw/zinc/82/00/67/805820067.db2.gz VDWHWWONHBIMGP-SJORKVTESA-N 0 3 297.402 2.249 20 30 CEEDHN CC(C)C[C@H](CNCc1ccccn1)NC(=O)C#CC1CC1 ZINC001271262130 805904663 /nfs/dbraw/zinc/90/46/63/805904663.db2.gz ZSYDWKUCJSHMKQ-QGZVFWFLSA-N 0 3 299.418 2.116 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C3C=CC=CC=C3)[C@@H]2C1 ZINC001075840815 805947195 /nfs/dbraw/zinc/94/71/95/805947195.db2.gz OIDIGMCLLTUBRM-DLBZAZTESA-N 0 3 284.403 2.394 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(C)c(C)c3)C[C@@H]2C1 ZINC001088189474 805966354 /nfs/dbraw/zinc/96/63/54/805966354.db2.gz DKXIXQXDBKLELX-MSOLQXFVSA-N 0 3 296.414 2.331 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C[C@@H](C)C3CC3)C[C@@H]2C1 ZINC001088214333 805971291 /nfs/dbraw/zinc/97/12/91/805971291.db2.gz HGHJPOHOYFFKSR-OIISXLGYSA-N 0 3 288.435 2.226 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)c1c[nH]cc1C1CC1 ZINC001272144907 806563346 /nfs/dbraw/zinc/56/33/46/806563346.db2.gz DMTNGZNFVRYXGH-UHFFFAOYSA-N 0 3 275.396 2.472 20 30 CEEDHN C=C(C)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC001142511445 806610337 /nfs/dbraw/zinc/61/03/37/806610337.db2.gz JDVZEFLYCCLKFO-UHFFFAOYSA-N 0 3 287.407 2.339 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(F)c2F)[C@H]1C ZINC001088825766 806780097 /nfs/dbraw/zinc/78/00/97/806780097.db2.gz AESILKSOUFOGAQ-RISCZKNCSA-N 0 3 292.329 2.181 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2Cc3ccccc32)[C@H]1C ZINC001088826785 806786268 /nfs/dbraw/zinc/78/62/68/806786268.db2.gz HBQLZSFCACNDSC-COXVUDFISA-N 0 3 284.403 2.481 20 30 CEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1C ZINC001104224000 802378367 /nfs/dbraw/zinc/37/83/67/802378367.db2.gz GVIPVMGYIXNVTB-BXUZGUMPSA-N 0 3 295.814 2.455 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)[C@@H]1CCC[C@@H]1CC ZINC001266321494 802435991 /nfs/dbraw/zinc/43/59/91/802435991.db2.gz UVLKMHNPOLOXHW-UONOGXRCSA-N 0 3 252.402 2.437 20 30 CEEDHN C=CCN(C)CCNC(=O)c1ccc(F)c2ccncc12 ZINC001266314237 802429359 /nfs/dbraw/zinc/42/93/59/802429359.db2.gz UJOSUTVNLXVQNG-UHFFFAOYSA-N 0 3 287.338 2.222 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)CC[C@H](C)CC)C1 ZINC001266350396 802475526 /nfs/dbraw/zinc/47/55/26/802475526.db2.gz SSQIDXRBTNDXSH-KGLIPLIRSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CCCN(C)CCNC(=O)c1ccc(CC)c(CC)c1 ZINC001266368395 802498387 /nfs/dbraw/zinc/49/83/87/802498387.db2.gz SODPXXLCSRJUMM-UHFFFAOYSA-N 0 3 286.419 2.496 20 30 CEEDHN C=CCN(CC)CCNC(=O)[C@@H](C)c1ccccc1 ZINC001266429120 802566464 /nfs/dbraw/zinc/56/64/64/802566464.db2.gz YFKLNSQLCNBULV-AWEZNQCLSA-N 0 3 260.381 2.414 20 30 CEEDHN C=CCc1ccnc(N[C@H]2CCN(C)C2)c1C(OC)OC ZINC001167273086 802621540 /nfs/dbraw/zinc/62/15/40/802621540.db2.gz PRWPERUPAIXZNZ-ZDUSSCGKSA-N 0 3 291.395 2.218 20 30 CEEDHN C=CCC(C)(C)C(=O)NCCCNCc1cnc(C)o1 ZINC001167363352 802737650 /nfs/dbraw/zinc/73/76/50/802737650.db2.gz UIUOYVVGBPRHPS-UHFFFAOYSA-N 0 3 279.384 2.181 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cc(C)[nH]c1C ZINC001167366179 802738824 /nfs/dbraw/zinc/73/88/24/802738824.db2.gz ZECZUYIXASLCBJ-UHFFFAOYSA-N 0 3 269.776 2.094 20 30 CEEDHN C=CCN(CCNC(=O)c1sccc1C)C1CC1 ZINC001266581499 802741198 /nfs/dbraw/zinc/74/11/98/802741198.db2.gz CZHCKMWQDDVVNY-UHFFFAOYSA-N 0 3 264.394 2.437 20 30 CEEDHN C=C(C)CN(CCNC(=O)CCc1ccncc1)C1CC1 ZINC001266600495 802757081 /nfs/dbraw/zinc/75/70/81/802757081.db2.gz WLATVGACOBTCLQ-UHFFFAOYSA-N 0 3 287.407 2.171 20 30 CEEDHN CC(C)Cc1ccc(CC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000129447216 807002529 /nfs/dbraw/zinc/00/25/29/807002529.db2.gz ZXCPCPJOJWRGNE-INIZCTEOSA-N 0 3 298.386 2.415 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2conc2C)C1 ZINC001266714287 802859612 /nfs/dbraw/zinc/85/96/12/802859612.db2.gz GKDHWFQRSNFZGT-OKILXGFUSA-N 0 3 291.395 2.322 20 30 CEEDHN N#Cc1csc(CN[C@@H]2CC[C@@H]3COCC[C@@H]3C2)n1 ZINC000723654619 802918220 /nfs/dbraw/zinc/91/82/20/802918220.db2.gz HXIHAFWBMNDVBH-IJLUTSLNSA-N 0 3 277.393 2.310 20 30 CEEDHN C=CCN1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCCO1 ZINC001266832152 802931391 /nfs/dbraw/zinc/93/13/91/802931391.db2.gz IPQHTMVOJARVLQ-CABCVRRESA-N 0 3 280.412 2.102 20 30 CEEDHN C#CCNCCN(C)C(=O)C[C@H](C)c1ccc(CC)cc1 ZINC001266834587 802932470 /nfs/dbraw/zinc/93/24/70/802932470.db2.gz VJVZHYVYZFVOPB-HNNXBMFYSA-N 0 3 286.419 2.424 20 30 CEEDHN CC(C)=CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001266837393 802934203 /nfs/dbraw/zinc/93/42/03/802934203.db2.gz OKHRRBREXKQXRH-UONOGXRCSA-N 0 3 263.385 2.083 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1(C)CCOCC1 ZINC001266856767 802947057 /nfs/dbraw/zinc/94/70/57/802947057.db2.gz XXPOJPOZRPXRIS-OAHLLOKOSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CCN1CCCC[C@H]1CNC(=O)CC[C@H]1CCCCO1 ZINC001266856605 802947740 /nfs/dbraw/zinc/94/77/40/802947740.db2.gz UXYSAVBZVMHWST-JKSUJKDBSA-N 0 3 294.439 2.492 20 30 CEEDHN CC[C@H](NCc1nc(C#N)cs1)[C@H]1CCCOC1 ZINC000723952193 802973513 /nfs/dbraw/zinc/97/35/13/802973513.db2.gz BIRSKIYFSPFGJJ-JQWIXIFHSA-N 0 3 265.382 2.310 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@H](C)NCc1cnccc1C ZINC001266960430 803022404 /nfs/dbraw/zinc/02/24/04/803022404.db2.gz BEOGQRMXNAOOHH-ZDUSSCGKSA-N 0 3 275.396 2.197 20 30 CEEDHN CC#CCN[C@H](C)CNC(=O)C[C@H](C)c1cccc(F)c1 ZINC001266971806 803031235 /nfs/dbraw/zinc/03/12/35/803031235.db2.gz ZZBVZBKRGCIEAK-UONOGXRCSA-N 0 3 290.382 2.437 20 30 CEEDHN CC#CCN[C@H](C)CNC(=O)C[C@H]1CCc2ccccc2C1 ZINC001266990752 803040357 /nfs/dbraw/zinc/04/03/57/803040357.db2.gz VTEUQARNBIIRKB-CVEARBPZSA-N 0 3 298.430 2.299 20 30 CEEDHN CC#CCN[C@H]1CCN(C(=O)c2oc(C(F)F)cc2C)C1 ZINC001267012300 803055912 /nfs/dbraw/zinc/05/59/12/803055912.db2.gz HDDSMNCESFGGGI-NSHDSACASA-N 0 3 296.317 2.353 20 30 CEEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC001267025972 803066572 /nfs/dbraw/zinc/06/65/72/803066572.db2.gz ZQOAKSCTZOOSKP-LBPRGKRZSA-N 0 3 294.757 2.307 20 30 CEEDHN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ocnc1C ZINC001133885051 813169235 /nfs/dbraw/zinc/16/92/35/813169235.db2.gz WPOGYZWVBTUNAS-NEPJUHHUSA-N 0 3 279.384 2.322 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1cnn(C(C)(C)C)c1C ZINC001267199899 803225604 /nfs/dbraw/zinc/22/56/04/803225604.db2.gz YMVVKWSJUUFYDH-UHFFFAOYSA-N 0 3 292.427 2.184 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)CCCc2ccsc2)C1 ZINC001267296668 803340021 /nfs/dbraw/zinc/34/00/21/803340021.db2.gz RUUFXQKUZGFWOJ-HNNXBMFYSA-N 0 3 290.432 2.142 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)c1c(C)nsc1C ZINC001267320618 803363283 /nfs/dbraw/zinc/36/32/83/803363283.db2.gz PZDYJCWOUAHKFO-UHFFFAOYSA-N 0 3 293.436 2.225 20 30 CEEDHN CC(C)CC(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001267340510 803387483 /nfs/dbraw/zinc/38/74/83/803387483.db2.gz HEWKNOTZBUFYEU-UHFFFAOYSA-N 0 3 279.409 2.214 20 30 CEEDHN C=CCN[C@H](CNC(=O)c1c[nH]nc1CC)c1ccccc1 ZINC001267361671 803409084 /nfs/dbraw/zinc/40/90/84/803409084.db2.gz FNEAMBIZTKXLND-MRXNPFEDSA-N 0 3 298.390 2.219 20 30 CEEDHN C=C[C@H](CC)CC(=O)N(C)CCNCc1cccnc1 ZINC001267416640 803461550 /nfs/dbraw/zinc/46/15/50/803461550.db2.gz UTOWXSKUJUGSQQ-CQSZACIVSA-N 0 3 275.396 2.232 20 30 CEEDHN CC#CCNCCN(C)C(=O)C[C@@H]1CCc2ccccc21 ZINC001267442340 803467049 /nfs/dbraw/zinc/46/70/49/803467049.db2.gz PEMMWZPSHIOKSO-INIZCTEOSA-N 0 3 284.403 2.178 20 30 CEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)C3CCCC3)C(C)(C)[C@@H]21 ZINC001087268779 803489809 /nfs/dbraw/zinc/48/98/09/803489809.db2.gz WTMZFMKUDLMOJL-BZUAXINKSA-N 0 3 288.435 2.415 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H]2CCCO2)C1 ZINC001267538979 803535337 /nfs/dbraw/zinc/53/53/37/803535337.db2.gz KZTNRCLXFGSLGL-CABCVRRESA-N 0 3 280.412 2.054 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001038046402 803554868 /nfs/dbraw/zinc/55/48/68/803554868.db2.gz UNLYQFTVNHQYSK-LSDHHAIUSA-N 0 3 262.397 2.499 20 30 CEEDHN N#Cc1cc(C#N)cc(-n2nc(CN)c3ccccc32)c1 ZINC001167698230 803572860 /nfs/dbraw/zinc/57/28/60/803572860.db2.gz QBYJSXZUGFHBQF-UHFFFAOYSA-N 0 3 273.299 2.228 20 30 CEEDHN C=CCCCN1CCC[C@@H](NC(=O)c2cncs2)C1 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CEEDHN C[C@@H](CCO)CCNCc1cccc(F)c1C#N ZINC000602023786 346963324 /nfs/dbraw/zinc/96/33/24/346963324.db2.gz KLRJTZBGWCSKEY-LLVKDONJSA-N 0 3 250.317 2.196 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](c2c[nH]c3ncccc32)C1 ZINC000602196999 346993193 /nfs/dbraw/zinc/99/31/93/346993193.db2.gz KTAZEUGGZRAABI-NEPJUHHUSA-N 0 3 282.347 2.429 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000602289582 347005918 /nfs/dbraw/zinc/00/59/18/347005918.db2.gz DEYXDGUYDCVXTR-UONOGXRCSA-N 0 3 277.412 2.259 20 30 CEEDHN N#Cc1ccc(CN2CCN(CCC[C@H]3CCO3)CC2)cc1 ZINC000602435761 347031471 /nfs/dbraw/zinc/03/14/71/347031471.db2.gz UCEDDQFIHORTDK-SFHVURJKSA-N 0 3 299.418 2.245 20 30 CEEDHN C[C@H](CCC#N)CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000602433774 347031536 /nfs/dbraw/zinc/03/15/36/347031536.db2.gz CHEYSJPXJNZJDG-CQSZACIVSA-N 0 3 283.379 2.015 20 30 CEEDHN C=CCc1cc(CN(C)CC(C)(C)O)cc(OC)c1O ZINC000093414511 344222999 /nfs/dbraw/zinc/22/29/99/344222999.db2.gz LHUHFDLZCMINIU-UHFFFAOYSA-N 0 3 279.380 2.332 20 30 CEEDHN CN(CC(=O)NC1(C#N)CCCCC1)CC1CCCC1 ZINC000049492023 362368236 /nfs/dbraw/zinc/36/82/36/362368236.db2.gz OPGZEUCBKSAABN-UHFFFAOYSA-N 0 3 277.412 2.451 20 30 CEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](C)CO ZINC000120724477 344300120 /nfs/dbraw/zinc/30/01/20/344300120.db2.gz BXUMYCIUECYOQB-LBPRGKRZSA-N 0 3 264.325 2.211 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1C[C@H]2CCC[C@@H]2C1 ZINC000152650466 344426923 /nfs/dbraw/zinc/42/69/23/344426923.db2.gz NUBHSDPRUFMGBY-ZIAGYGMSSA-N 0 3 250.386 2.143 20 30 CEEDHN COc1ccc(CN2CCCCC[C@@H]2CO)cc1C#N ZINC000133530382 344369004 /nfs/dbraw/zinc/36/90/04/344369004.db2.gz VUMSQFCWXQLGSO-OAHLLOKOSA-N 0 3 274.364 2.304 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)C3CCCC3)C2)cc1 ZINC000134556086 344375347 /nfs/dbraw/zinc/37/53/47/344375347.db2.gz MMCBAVPLWXZWIO-KRWDZBQOSA-N 0 3 297.402 2.439 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CCC1CC1 ZINC000135266883 344380725 /nfs/dbraw/zinc/38/07/25/344380725.db2.gz BOEWYDUYVYOZTB-ZDUSSCGKSA-N 0 3 277.412 2.449 20 30 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C=CCN(Cc1cccs1)C(=O)[C@H](N)CCCC#N ZINC000424061984 344896802 /nfs/dbraw/zinc/89/68/02/344896802.db2.gz FTSAFCKUHGFZIR-CYBMUJFWSA-N 0 3 277.393 2.284 20 30 CEEDHN COc1ccc([C@@H](C)NC(=O)[C@H](N)CCCC#N)cc1F ZINC000424061833 344896817 /nfs/dbraw/zinc/89/68/17/344896817.db2.gz FNQJVBSFGDTGQX-ZWNOBZJWSA-N 0 3 293.342 2.033 20 30 CEEDHN CC[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CCS1 ZINC000127308114 187295768 /nfs/dbraw/zinc/29/57/68/187295768.db2.gz MTDNUKUNTFTBHW-CABCVRRESA-N 0 3 276.405 2.419 20 30 CEEDHN Cc1nsc(N2CCN(c3ccncc3)CC2)c1C#N ZINC000587029911 345029198 /nfs/dbraw/zinc/02/91/98/345029198.db2.gz ZMFXCQXFBUTQOC-UHFFFAOYSA-N 0 3 285.376 2.045 20 30 CEEDHN C=CCN1CCC(Nc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000589111898 345065834 /nfs/dbraw/zinc/06/58/34/345065834.db2.gz RSTDAFMCEDYDAH-UHFFFAOYSA-N 0 3 296.758 2.127 20 30 CEEDHN CO[C@]1(C)C[C@H](NCc2ccnc(C#N)c2)C1(C)C ZINC000590756375 345174924 /nfs/dbraw/zinc/17/49/24/345174924.db2.gz KHKIFEBORMTPGS-DZGCQCFKSA-N 0 3 259.353 2.246 20 30 CEEDHN CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)C(=O)NC ZINC000590780354 345180097 /nfs/dbraw/zinc/18/00/97/345180097.db2.gz TUUXTJFUNDYOQH-GJZGRUSLSA-N 0 3 271.364 2.050 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(c2nc(N)n[nH]2)CC1 ZINC000590600158 345149938 /nfs/dbraw/zinc/14/99/38/345149938.db2.gz LLLNXHADFRJICG-NSHDSACASA-N 0 3 296.378 2.030 20 30 CEEDHN N#Cc1cccc(OCCCN2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972310 345208664 /nfs/dbraw/zinc/20/86/64/345208664.db2.gz GKUPZLMAVFXNQS-WBVHZDCISA-N 0 3 286.375 2.438 20 30 CEEDHN N#Cc1ccsc1NC(=O)CCN1C[C@@H]2C[C@H]1CS2 ZINC000590972709 345208819 /nfs/dbraw/zinc/20/88/19/345208819.db2.gz JPOLLGKEBRCNJV-QWRGUYRKSA-N 0 3 293.417 2.138 20 30 CEEDHN N#CC1(NC(=O)CN2CCCC[C@@H]2C2CCC2)CCC1 ZINC000592197934 345336286 /nfs/dbraw/zinc/33/62/86/345336286.db2.gz FVMCPYQJBVYSLA-CQSZACIVSA-N 0 3 275.396 2.203 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN1CC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000592136135 345328258 /nfs/dbraw/zinc/32/82/58/345328258.db2.gz BBYOLWKPAUZPPI-NOLJZWGESA-N 0 3 275.396 2.059 20 30 CEEDHN N#CC[C@@]1(O)CCN(CCSC2CCCCC2)C1 ZINC000592153101 345332057 /nfs/dbraw/zinc/33/20/57/345332057.db2.gz IYONCCQLVYTFLY-CQSZACIVSA-N 0 3 268.426 2.403 20 30 CEEDHN COC[C@H]1C[C@@H](O)CN1Cc1ccccc1C(C)(C)C#N ZINC000593067522 345432290 /nfs/dbraw/zinc/43/22/90/345432290.db2.gz VGZIQLQTBIAGTQ-HUUCEWRRSA-N 0 3 288.391 2.069 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(C#N)cs1 ZINC000084113384 232181412 /nfs/dbraw/zinc/18/14/12/232181412.db2.gz NWAMEDABRUDFNB-PWSUYJOCSA-N 0 3 277.393 2.032 20 30 CEEDHN CC[C@H](C#N)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000593426234 345482850 /nfs/dbraw/zinc/48/28/50/345482850.db2.gz FXRHQCKEYXWDTH-OAHLLOKOSA-N 0 3 273.380 2.127 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCN1CCCC1=O ZINC000593724093 345527936 /nfs/dbraw/zinc/52/79/36/345527936.db2.gz VEQLEYTXXSLBLC-INIZCTEOSA-N 0 3 283.375 2.148 20 30 CEEDHN CC[C@H](C#N)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000593739627 345530484 /nfs/dbraw/zinc/53/04/84/345530484.db2.gz FFVROBQTUUUQCF-LLVKDONJSA-N 0 3 293.342 2.254 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)NCC1(C#N)CCCC1 ZINC000593779796 345536824 /nfs/dbraw/zinc/53/68/24/345536824.db2.gz RBZVEIKNTAYAMT-STQMWFEESA-N 0 3 263.385 2.059 20 30 CEEDHN CN(C)[C@H](CNC(=O)CCCCC#N)c1ccccc1 ZINC000593944145 345554720 /nfs/dbraw/zinc/55/47/20/345554720.db2.gz SLFAIVVWPNCYHO-OAHLLOKOSA-N 0 3 273.380 2.489 20 30 CEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)CCCCC#N)C1 ZINC000593992986 345561636 /nfs/dbraw/zinc/56/16/36/345561636.db2.gz LHAZDTLRFYPYLO-KGLIPLIRSA-N 0 3 263.385 2.013 20 30 CEEDHN CC[C@@H](NCc1ccnc(C#N)c1)[C@H]1CCCCO1 ZINC000594040893 345571590 /nfs/dbraw/zinc/57/15/90/345571590.db2.gz HIOLYGKROLRFDD-HUUCEWRRSA-N 0 3 259.353 2.391 20 30 CEEDHN N#Cc1cccc(CN[C@@H](CCO)C2CCCCC2)n1 ZINC000602578654 347086535 /nfs/dbraw/zinc/08/65/35/347086535.db2.gz PBPLOMUGICPXKZ-INIZCTEOSA-N 0 3 273.380 2.374 20 30 CEEDHN CCCN(C(=O)C(C#N)CC)[C@H](CC)C(=O)OCC ZINC000593650900 345516805 /nfs/dbraw/zinc/51/68/05/345516805.db2.gz IAMSLGMMMFHBRM-NWDGAFQWSA-N 0 3 268.357 2.116 20 30 CEEDHN CCC[C@@]1(C(=O)OCC)CCCN1C(=O)C(C#N)CC ZINC000593656601 345517032 /nfs/dbraw/zinc/51/70/32/345517032.db2.gz HABDZIQIIBJGFY-DOMZBBRYSA-N 0 3 280.368 2.261 20 30 CEEDHN CS(=O)(=O)CC1CCC(NCC2(C#N)CCCC2)CC1 ZINC000593654281 345517081 /nfs/dbraw/zinc/51/70/81/345517081.db2.gz AMAUVBKUJSDAJZ-UHFFFAOYSA-N 0 3 298.452 2.263 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594197799 345596915 /nfs/dbraw/zinc/59/69/15/345596915.db2.gz PVAWAEFUGFRJKU-LSDHHAIUSA-N 0 3 287.363 2.206 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)CCCCC#N ZINC000594373643 345618160 /nfs/dbraw/zinc/61/81/60/345618160.db2.gz WUGAGULEPRHYOV-UHFFFAOYSA-N 0 3 251.374 2.015 20 30 CEEDHN CC(C#N)C(=O)N(C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594404952 345622576 /nfs/dbraw/zinc/62/25/76/345622576.db2.gz UENKKPICMZFUPR-QMMMGPOBSA-N 0 3 282.246 2.126 20 30 CEEDHN CC(C#N)C(=O)N(C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594404951 345622720 /nfs/dbraw/zinc/62/27/20/345622720.db2.gz UENKKPICMZFUPR-MRVPVSSYSA-N 0 3 282.246 2.126 20 30 CEEDHN CCC(C#N)C(=O)N(CC(=O)OC(C)(C)C)C1CCC1 ZINC000594418811 345624610 /nfs/dbraw/zinc/62/46/10/345624610.db2.gz LSRFKOVNNOWAIP-NSHDSACASA-N 0 3 280.368 2.259 20 30 CEEDHN Cc1cc([C@@H]2CCCN2C(=O)[C@H](N)CCCCC#N)on1 ZINC000594424664 345625594 /nfs/dbraw/zinc/62/55/94/345625594.db2.gz HSOCAEHKNXZCCS-OLZOCXBDSA-N 0 3 290.367 2.058 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCN2 ZINC000594425093 345625696 /nfs/dbraw/zinc/62/56/96/345625696.db2.gz JSQPGVACHRLGIS-ZDUSSCGKSA-N 0 3 272.352 2.004 20 30 CEEDHN C[C@@H]1CCC[C@@H](NC(=O)[C@H](N)CCCCC#N)C1 ZINC000594425926 345625755 /nfs/dbraw/zinc/62/57/55/345625755.db2.gz BPEFCIKUCZOXAE-JHJVBQTASA-N 0 3 251.374 2.093 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC(C(F)(F)F)CC1 ZINC000594425809 345625986 /nfs/dbraw/zinc/62/59/86/345625986.db2.gz APSMXSLWALZDNR-LLVKDONJSA-N 0 3 291.317 2.199 20 30 CEEDHN CC(C)(NC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594428810 345627040 /nfs/dbraw/zinc/62/70/40/345627040.db2.gz NLMKRNZIRHAFKW-AWEZNQCLSA-N 0 3 273.380 2.449 20 30 CEEDHN CC(C)c1nnc(NC(=O)[C@@H](N)CCCCC#N)s1 ZINC000594428323 345627489 /nfs/dbraw/zinc/62/74/89/345627489.db2.gz MOHYTMZGTVEMJJ-VIFPVBQESA-N 0 3 281.385 2.011 20 30 CEEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1CCCCC1 ZINC000594429493 345627647 /nfs/dbraw/zinc/62/76/47/345627647.db2.gz QNSGFTMPTXYGBX-OCCSQVGLSA-N 0 3 265.401 2.483 20 30 CEEDHN Cc1cccc(N(C)C(=O)[C@H](N)CCCCC#N)c1 ZINC000594429508 345627950 /nfs/dbraw/zinc/62/79/50/345627950.db2.gz QSIDWXSXNYCZSB-CQSZACIVSA-N 0 3 259.353 2.369 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000594432040 345628358 /nfs/dbraw/zinc/62/83/58/345628358.db2.gz VXFPUZYQWXNHIK-MELADBBJSA-N 0 3 263.385 2.189 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000594433260 345629251 /nfs/dbraw/zinc/62/92/51/345629251.db2.gz MVIASNHUXGBLTH-BARDWOONSA-N 0 3 277.412 2.483 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000594433105 345629378 /nfs/dbraw/zinc/62/93/78/345629378.db2.gz LRMOWGJMZYWLTK-SOUVJXGZSA-N 0 3 277.412 2.483 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCc2ccccc2CC1 ZINC000594434302 345629399 /nfs/dbraw/zinc/62/93/99/345629399.db2.gz MWWIZZZRCCDXKP-INIZCTEOSA-N 0 3 285.391 2.025 20 30 CEEDHN CC[C@]1(C)CCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594441906 345631531 /nfs/dbraw/zinc/63/15/31/345631531.db2.gz AIDQYBHOWLYIGF-DZGCQCFKSA-N 0 3 265.401 2.436 20 30 CEEDHN C[C@@H](c1ccncc1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594444280 345631911 /nfs/dbraw/zinc/63/19/11/345631911.db2.gz NUQGETREMDBBNQ-JSGCOSHPSA-N 0 3 274.368 2.012 20 30 CEEDHN CC1(C)CCC[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594443000 345632225 /nfs/dbraw/zinc/63/22/25/345632225.db2.gz FODIZSCPFZHSGV-NWDGAFQWSA-N 0 3 251.374 2.093 20 30 CEEDHN CCC1(CC)[C@H](NC(=O)[C@@H](N)CCCCC#N)C[C@@H]1OC ZINC000594445781 345632903 /nfs/dbraw/zinc/63/29/03/345632903.db2.gz LVVOCGMUEMZLQH-MJBXVCDLSA-N 0 3 295.427 2.108 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000594449304 345633842 /nfs/dbraw/zinc/63/38/42/345633842.db2.gz FXWLIEZIOXPZEA-HRCADAONSA-N 0 3 285.391 2.318 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594450518 345634592 /nfs/dbraw/zinc/63/45/92/345634592.db2.gz QCFTZFSMPFUQHU-HNNXBMFYSA-N 0 3 296.374 2.075 20 30 CEEDHN CC(C)(C#N)c1ccc(CN2CC(CCO)C2)cc1 ZINC000594607549 345659696 /nfs/dbraw/zinc/65/96/96/345659696.db2.gz XEUJGBFDAHKOTO-UHFFFAOYSA-N 0 3 258.365 2.302 20 30 CEEDHN COC(=O)c1cc(CNCCCCC#N)c(C)o1 ZINC000594613402 345661750 /nfs/dbraw/zinc/66/17/50/345661750.db2.gz IIURVBOJIVGIQO-UHFFFAOYSA-N 0 3 250.298 2.158 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000595250886 345748235 /nfs/dbraw/zinc/74/82/35/345748235.db2.gz RBRNIQUCFCJQOG-MGPQQGTHSA-N 0 3 263.385 2.259 20 30 CEEDHN C[C@H]1CC(CNC(=O)[C@H](N)CCCC#N)C[C@H](C)C1 ZINC000595257309 345749760 /nfs/dbraw/zinc/74/97/60/345749760.db2.gz UBDHTVCVOXXUEQ-YRGRVCCFSA-N 0 3 265.401 2.196 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCC(c2ccco2)CC1 ZINC000595257775 345750230 /nfs/dbraw/zinc/75/02/30/345750230.db2.gz WQRXCBVUNJCTRF-AWEZNQCLSA-N 0 3 289.379 2.397 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCOC2 ZINC000595259207 345750802 /nfs/dbraw/zinc/75/08/02/345750802.db2.gz YTMNWSCTMNCAAE-HNNXBMFYSA-N 0 3 287.363 2.109 20 30 CEEDHN CC[C@@H]1CCC[C@H](C)N1C(=O)[C@H](N)CCCC#N ZINC000595259785 345750821 /nfs/dbraw/zinc/75/08/21/345750821.db2.gz OJWHUKYRIPZCOK-YNEHKIRRSA-N 0 3 251.374 2.187 20 30 CEEDHN CO[C@@H](CNC(=O)[C@H](N)CCCCC#N)C1CCCCC1 ZINC000595260096 345750844 /nfs/dbraw/zinc/75/08/44/345750844.db2.gz USTHWDVMHGJNJX-CABCVRRESA-N 0 3 295.427 2.109 20 30 CEEDHN CSC[C@@H](CCO)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594921949 345703097 /nfs/dbraw/zinc/70/30/97/345703097.db2.gz MMJPWIRBKJQPQH-OAHLLOKOSA-N 0 3 290.432 2.445 20 30 CEEDHN CC(C)N1C[C@H](NCc2ccc(C3(C#N)CC3)cc2)CC1=O ZINC000594922983 345703215 /nfs/dbraw/zinc/70/32/15/345703215.db2.gz RMGXJRYLOBJQQE-MRXNPFEDSA-N 0 3 297.402 2.341 20 30 CEEDHN CS[C@H](CO)[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594923179 345703658 /nfs/dbraw/zinc/70/36/58/345703658.db2.gz SXNCELPPQLINFR-SWLSCSKDSA-N 0 3 290.432 2.444 20 30 CEEDHN N#Cc1ccc(N2CCN(CC3CC=CC3)CC2)nc1 ZINC000595295870 345756540 /nfs/dbraw/zinc/75/65/40/345756540.db2.gz UQXOJNUNHRTSSM-UHFFFAOYSA-N 0 3 268.364 2.041 20 30 CEEDHN C[C@@H](CCNCc1ccc(C2(C#N)CC2)cc1)[S@@](C)=O ZINC000594931863 345707731 /nfs/dbraw/zinc/70/77/31/345707731.db2.gz SRHQSYVRJKKCIO-RNODOKPDSA-N 0 3 290.432 2.488 20 30 CEEDHN CCn1nccc1CNCCc1ccc(C#N)cc1 ZINC000594954185 345714953 /nfs/dbraw/zinc/71/49/53/345714953.db2.gz DPCMWKISGBSZST-UHFFFAOYSA-N 0 3 254.337 2.107 20 30 CEEDHN CN(C)c1ncc(CNC(C)(C)c2cccc(C#N)c2)n1C ZINC000594967890 345719371 /nfs/dbraw/zinc/71/93/71/345719371.db2.gz ISRLMHJFAYPOLF-UHFFFAOYSA-N 0 3 297.406 2.383 20 30 CEEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)c(OC)c2)C1 ZINC000594970239 345719769 /nfs/dbraw/zinc/71/97/69/345719769.db2.gz WFOPKOSKIRCWBH-HDJSIYSDSA-N 0 3 260.337 2.224 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NCc1ccc(C#N)o1 ZINC000594978921 345720878 /nfs/dbraw/zinc/72/08/78/345720878.db2.gz DBVSHOXOWKFEPD-ZDUSSCGKSA-N 0 3 261.369 2.361 20 30 CEEDHN C[C@H]1CCC[C@@H](CNCc2cnc3ccc(C#N)cn23)O1 ZINC000594984634 345722021 /nfs/dbraw/zinc/72/20/21/345722021.db2.gz KFMITQJDSSGVDW-WFASDCNBSA-N 0 3 284.363 2.253 20 30 CEEDHN CC(C)(CNCc1cc(C#N)cs1)[C@]1(O)CCCOC1 ZINC000594997569 345723938 /nfs/dbraw/zinc/72/39/38/345723938.db2.gz ZSCLBHHSEZABNY-HNNXBMFYSA-N 0 3 294.420 2.277 20 30 CEEDHN CC(C)C(=O)N[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595301372 345758384 /nfs/dbraw/zinc/75/83/84/345758384.db2.gz JILJIZAEJMXWQP-QGZVFWFLSA-N 0 3 299.418 2.337 20 30 CEEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595029524 345731015 /nfs/dbraw/zinc/73/10/15/345731015.db2.gz YYXOEUGWSHKBTM-RYUDHWBXSA-N 0 3 294.351 2.439 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC/C=C\CO ZINC000595068508 345738645 /nfs/dbraw/zinc/73/86/45/345738645.db2.gz IFBYSQAWVHNXJK-MJSXRHKHSA-N 0 3 256.349 2.464 20 30 CEEDHN N#Cc1ccc(CCN2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000595539385 345806405 /nfs/dbraw/zinc/80/64/05/345806405.db2.gz LOCIJFRNPPZULY-CVEARBPZSA-N 0 3 256.349 2.212 20 30 CEEDHN N#Cc1ccc(CCN2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000595521183 345802782 /nfs/dbraw/zinc/80/27/82/345802782.db2.gz XDZSXKISJCVKME-UONOGXRCSA-N 0 3 298.308 2.346 20 30 CEEDHN C=CCCSCCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000595663292 345842533 /nfs/dbraw/zinc/84/25/33/345842533.db2.gz LITCOAHOIZHWHU-ZDUSSCGKSA-N 0 3 299.484 2.468 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)C1 ZINC000595699691 345853775 /nfs/dbraw/zinc/85/37/75/345853775.db2.gz VQSJFSOAKYHLNH-XJKSGUPXSA-N 0 3 292.427 2.194 20 30 CEEDHN CC(C)CNC(=O)CCCN1CCC[C@H](CC#N)C1 ZINC000595623069 345830901 /nfs/dbraw/zinc/83/09/01/345830901.db2.gz GDWGMVQHIINUFX-CQSZACIVSA-N 0 3 265.401 2.164 20 30 CEEDHN C=CCN(CCOc1ccccc1[N+](=O)[O-])[C@H](C)COC ZINC000595648306 345837525 /nfs/dbraw/zinc/83/75/25/345837525.db2.gz SJMRJMMIRMJRGD-CYBMUJFWSA-N 0 3 294.351 2.497 20 30 CEEDHN C=CCN(CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)COC ZINC000595647385 345837835 /nfs/dbraw/zinc/83/78/35/345837835.db2.gz PIOFVMJDWSHZLF-CYBMUJFWSA-N 0 3 294.351 2.497 20 30 CEEDHN C=CCN(CCOc1cccc(C#N)c1)[C@H](C)COC ZINC000595648880 345838384 /nfs/dbraw/zinc/83/83/84/345838384.db2.gz VOXRETKSNOLBCV-CQSZACIVSA-N 0 3 274.364 2.460 20 30 CEEDHN Cc1cc(CN2CC[C@@H](CN3CCCC3=O)C2)ccc1C#N ZINC000595827051 345887366 /nfs/dbraw/zinc/88/73/66/345887366.db2.gz ACTXQJFXVDUSTK-MRXNPFEDSA-N 0 3 297.402 2.311 20 30 CEEDHN CN(CCN1CC[C@](C)(C#N)C1)Cc1ccccc1 ZINC000595842871 345895958 /nfs/dbraw/zinc/89/59/58/345895958.db2.gz VYVDBAXXSHEKPI-MRXNPFEDSA-N 0 3 257.381 2.354 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@](O)(C3CC3)C2)c1 ZINC000595750168 345865842 /nfs/dbraw/zinc/86/58/42/345865842.db2.gz POPYDNLUJUODHJ-MRXNPFEDSA-N 0 3 256.349 2.295 20 30 CEEDHN CCC1(O)CCC(NCc2cccc(C#N)n2)CC1 ZINC000602581427 347088106 /nfs/dbraw/zinc/08/81/06/347088106.db2.gz KDRQOZHDKWEPJP-UHFFFAOYSA-N 0 3 259.353 2.127 20 30 CEEDHN N#Cc1cnnc(NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000596054333 345928817 /nfs/dbraw/zinc/92/88/17/345928817.db2.gz RDJGKTVLQHDLSG-CYBMUJFWSA-N 0 3 299.403 2.081 20 30 CEEDHN CC[C@@H]1CCC[C@H](C)N1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000595868064 345901246 /nfs/dbraw/zinc/90/12/46/345901246.db2.gz RKLLUSQQXNRLBH-JGGQBBKZSA-N 0 3 277.412 2.448 20 30 CEEDHN Cn1ncc(C#N)c1NCC1CCN(c2ccncc2)CC1 ZINC000596183358 345962459 /nfs/dbraw/zinc/96/24/59/345962459.db2.gz CKJWKFIRLGXHEG-UHFFFAOYSA-N 0 3 296.378 2.015 20 30 CEEDHN C[C@H](Nc1nc(C#N)c(Cl)s1)C1=CCN(C)CC1 ZINC000596185098 345963212 /nfs/dbraw/zinc/96/32/12/345963212.db2.gz BLOJMUVVPYWPBS-QMMMGPOBSA-N 0 3 282.800 2.152 20 30 CEEDHN Cc1ccc(C#N)nc1NC[C@]1(N(C)C)CCSC1 ZINC000596148844 345952113 /nfs/dbraw/zinc/95/21/13/345952113.db2.gz HEWYYAGVASEVJJ-CQSZACIVSA-N 0 3 276.409 2.111 20 30 CEEDHN Cc1cc(C#N)cc(NC[C@@H]2CCN2Cc2ccccc2)n1 ZINC000596558893 346054948 /nfs/dbraw/zinc/05/49/48/346054948.db2.gz UKFDLBAQQZXSJQ-KRWDZBQOSA-N 0 3 292.386 2.370 20 30 CEEDHN CCN(C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(C)C1 ZINC000596451717 346027652 /nfs/dbraw/zinc/02/76/52/346027652.db2.gz DZWCZJWGWPJHEP-CQSZACIVSA-N 0 3 272.352 2.116 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@@]34C[C@@H]3CCC4)n2c1 ZINC000597176021 346141451 /nfs/dbraw/zinc/14/14/51/346141451.db2.gz CMIQKQCEUVYIJP-WFASDCNBSA-N 0 3 252.321 2.238 20 30 CEEDHN C=CCOc1ccc(CN[C@H]2C[C@@H](C(=O)OC)C2)cc1 ZINC000597217532 346151558 /nfs/dbraw/zinc/15/15/58/346151558.db2.gz FBJNRIYIQVHRFR-OKILXGFUSA-N 0 3 275.348 2.293 20 30 CEEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(CC#N)c1 ZINC000874842548 649849094 /nfs/dbraw/zinc/84/90/94/649849094.db2.gz IREIQPKNWHOVEH-JKSUJKDBSA-N 0 3 283.375 2.061 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC2CSC2)cc1 ZINC000597789781 346231467 /nfs/dbraw/zinc/23/14/67/346231467.db2.gz QUAWXTJOZIQBLM-OAHLLOKOSA-N 0 3 299.399 2.110 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CCC[C@@]2(CCN(C)C2)C1 ZINC000597709947 346219292 /nfs/dbraw/zinc/21/92/92/346219292.db2.gz DRINFPCUVIQWHY-INIZCTEOSA-N 0 3 287.363 2.018 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1cccs1)C1(CO)CCC1 ZINC000597852713 346238262 /nfs/dbraw/zinc/23/82/62/346238262.db2.gz OBQOWGPHMNDDAI-ZYHUDNBSSA-N 0 3 278.377 2.228 20 30 CEEDHN CC1(C)C[C@H](NC(=O)C(C#N)CCc2ccccc2)CO1 ZINC000597863734 346241489 /nfs/dbraw/zinc/24/14/89/346241489.db2.gz HTTZAINOXOSOFH-CABCVRRESA-N 0 3 286.375 2.443 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597920407 346253427 /nfs/dbraw/zinc/25/34/27/346253427.db2.gz BKNGEDZPHQKZBG-AWEZNQCLSA-N 0 3 285.391 2.469 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)c2ccccc2F)cc1 ZINC000060527216 362665173 /nfs/dbraw/zinc/66/51/73/362665173.db2.gz SFLCIOVUJFNSMI-UHFFFAOYSA-N 0 3 297.333 2.217 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN(C1CC1)C1CCCC1)C1CC1 ZINC000060562846 362665237 /nfs/dbraw/zinc/66/52/37/362665237.db2.gz PHZWRUUQLXAIKM-INIZCTEOSA-N 0 3 275.396 2.202 20 30 CEEDHN Cn1cc(CN2CCC3(CCC(O)CC3)CC2)cc1C#N ZINC000295141156 199367752 /nfs/dbraw/zinc/36/77/52/199367752.db2.gz PXPVUQVHUKTCJP-UHFFFAOYSA-N 0 3 287.407 2.414 20 30 CEEDHN C[C@@H](C#N)N(C(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC000598127278 346293905 /nfs/dbraw/zinc/29/39/05/346293905.db2.gz AFIUODMJWHCVLX-STQMWFEESA-N 0 3 263.385 2.154 20 30 CEEDHN C[C@H](C#N)N(C(=O)c1ccc(CN(C)C)cc1)C1CC1 ZINC000598130444 346295586 /nfs/dbraw/zinc/29/55/86/346295586.db2.gz RMWSJXFYWNZGLM-GFCCVEGCSA-N 0 3 271.364 2.265 20 30 CEEDHN CC(C#N)C(=O)NCc1cccc(OC2CC2)c1F ZINC000598140041 346299770 /nfs/dbraw/zinc/29/97/70/346299770.db2.gz IUWXSSHRBUHGJZ-VIFPVBQESA-N 0 3 262.284 2.143 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000598343420 346331978 /nfs/dbraw/zinc/33/19/78/346331978.db2.gz USEOJCLJGWQLID-CJNGLKHVSA-N 0 3 275.396 2.061 20 30 CEEDHN C[C@]1(C#N)CCN(C(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000598413249 346350098 /nfs/dbraw/zinc/35/00/98/346350098.db2.gz ZEPGORPROAVPSP-GDBMZVCRSA-N 0 3 275.396 2.156 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CCN1 ZINC000598573804 346376271 /nfs/dbraw/zinc/37/62/71/346376271.db2.gz OUQRVGRCZZVWTR-MRXNPFEDSA-N 0 3 297.402 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346568530 /nfs/dbraw/zinc/56/85/30/346568530.db2.gz MBUJAFGESDTJMG-QGZVFWFLSA-N 0 3 285.391 2.243 20 30 CEEDHN N#CCC[C@H](C#N)CNC[C@@H]1CCN1C1CCCC1 ZINC000600614272 346662973 /nfs/dbraw/zinc/66/29/73/346662973.db2.gz RBAJZXILZHCCKZ-HIFRSBDPSA-N 0 3 260.385 2.036 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000129220153 365837644 /nfs/dbraw/zinc/83/76/44/365837644.db2.gz QJTKQZWMJFAMFE-OAHLLOKOSA-N 0 3 271.364 2.049 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H]1CCOC[C@H]1C ZINC000336810132 365848874 /nfs/dbraw/zinc/84/88/74/365848874.db2.gz YMECCYTVAYFFSF-BXUZGUMPSA-N 0 3 260.337 2.081 20 30 CEEDHN CN(C)Cc1ccccc1CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000600961240 346719296 /nfs/dbraw/zinc/71/92/96/346719296.db2.gz KMFYDNGVLKSQKP-UHFFFAOYSA-N 0 3 297.402 2.448 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)c1ccccc1CC#N ZINC000600997868 346729201 /nfs/dbraw/zinc/72/92/01/346729201.db2.gz NPJVLKFPIHBBQY-CQSZACIVSA-N 0 3 285.391 2.357 20 30 CEEDHN Cc1ccc(CN2CCNC[C@@](C)(F)C2)cc1C#N ZINC000600710223 346675811 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347169310 /nfs/dbraw/zinc/16/93/10/347169310.db2.gz XLQUDGYDCLJQSC-KBPBESRZSA-N 0 3 266.385 2.102 20 30 CEEDHN C[C@H](CCC#N)CN1CCO[C@]2(CCSC2)C1 ZINC000602698588 347154393 /nfs/dbraw/zinc/15/43/93/347154393.db2.gz DAVWBJXGLMEHFO-CHWSQXEVSA-N 0 3 254.399 2.134 20 30 CEEDHN C[C@@]1(CCNCc2cccc(C#N)n2)CC1(F)F ZINC000602708872 347162816 /nfs/dbraw/zinc/16/28/16/347162816.db2.gz DUPHGPVFOAISHU-GFCCVEGCSA-N 0 3 251.280 2.478 20 30 CEEDHN CN(C)CCN(Cc1ccon1)Cc1ccc(C#N)cc1 ZINC000602659618 347127825 /nfs/dbraw/zinc/12/78/25/347127825.db2.gz PMIGRDBTJIQSGV-UHFFFAOYSA-N 0 3 284.363 2.110 20 30 CEEDHN CC(C)(C)[C@@H]1CCN(CC2(CC#N)CC2)C[C@H]1O ZINC000602802233 347204944 /nfs/dbraw/zinc/20/49/44/347204944.db2.gz PGHFGALMZVVOEP-CHWSQXEVSA-N 0 3 250.386 2.409 20 30 CEEDHN N#CCCN1CCN(C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000602748509 347184275 /nfs/dbraw/zinc/18/42/75/347184275.db2.gz NPRLINVHLVTDFF-QGZVFWFLSA-N 0 3 298.434 2.044 20 30 CEEDHN C[C@@H](CCC#N)CN1CCN(Cc2ccc(O)cc2)CC1 ZINC000602749209 347184353 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347292097 /nfs/dbraw/zinc/29/20/97/347292097.db2.gz PDTOTCXQHPCBNQ-IUODEOHRSA-N 0 3 299.378 2.044 20 30 CEEDHN CC(C)CN(CCN(C)C)C(=O)Nc1ccnc(C#N)c1 ZINC000603130529 347293601 /nfs/dbraw/zinc/29/36/01/347293601.db2.gz QSJHZLWYRLHGFS-UHFFFAOYSA-N 0 3 289.383 2.005 20 30 CEEDHN N#Cc1cc(CN2CC[C@H](O)[C@@H]3CCCC[C@H]32)ccn1 ZINC000602997429 347269778 /nfs/dbraw/zinc/26/97/78/347269778.db2.gz JREIZDAUBANRNG-OAGGEKHMSA-N 0 3 271.364 2.079 20 30 CEEDHN CC[C@H](N)c1cn(Cc2ccc(C#N)cc2Cl)nn1 ZINC000603227702 347315496 /nfs/dbraw/zinc/31/54/96/347315496.db2.gz WGUGAANDNKDNFR-LBPRGKRZSA-N 0 3 275.743 2.261 20 30 CEEDHN N#CC(C(=O)c1cccc2c1OCCO2)c1ccccn1 ZINC000065650485 362842664 /nfs/dbraw/zinc/84/26/64/362842664.db2.gz IWJXRVJMXRYVCS-GFCCVEGCSA-N 0 3 280.283 2.343 20 30 CEEDHN CCO[C@@H]1C[C@@H](N(C)C(=O)C(C)C#N)C12CCCC2 ZINC000610164069 347662487 /nfs/dbraw/zinc/66/24/87/347662487.db2.gz ZZEUDCMDHYMLJN-JHJVBQTASA-N 0 3 264.369 2.342 20 30 CEEDHN C[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1cccc(C#N)c1 ZINC000610403508 347678937 /nfs/dbraw/zinc/67/89/37/347678937.db2.gz HUMDQVXWFQGHAC-WFASDCNBSA-N 0 3 298.390 2.155 20 30 CEEDHN CC(C#N)C(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC000610428420 347680784 /nfs/dbraw/zinc/68/07/84/347680784.db2.gz YIERYOYJNHTIAX-DGCLKSJQSA-N 0 3 260.362 2.463 20 30 CEEDHN CC(C#N)C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000611299326 347765021 /nfs/dbraw/zinc/76/50/21/347765021.db2.gz KULPKYHLXRVOMW-LBPRGKRZSA-N 0 3 298.342 2.233 20 30 CEEDHN CC(C)NC(=O)CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611390223 347772602 /nfs/dbraw/zinc/77/26/02/347772602.db2.gz KTRPEWYLYDPGFA-HNNXBMFYSA-N 0 3 271.364 2.050 20 30 CEEDHN CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1ccccc1C#N ZINC000611120924 347741740 /nfs/dbraw/zinc/74/17/40/347741740.db2.gz JBQCEFPJUJDXFI-WMLDXEAASA-N 0 3 285.391 2.295 20 30 CEEDHN CCN(Cc1ccc(C#N)s1)C[C@@H]1CCOC1 ZINC000611256661 347759335 /nfs/dbraw/zinc/75/93/35/347759335.db2.gz LRUBWURLKCWZBC-NSHDSACASA-N 0 3 250.367 2.478 20 30 CEEDHN C[C@H](NCCCn1cncn1)c1ccc(C#N)cc1F ZINC000611588480 347798143 /nfs/dbraw/zinc/79/81/43/347798143.db2.gz AAAYDQDVWDUDOJ-NSHDSACASA-N 0 3 273.315 2.030 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000611798273 347817628 /nfs/dbraw/zinc/81/76/28/347817628.db2.gz KQYWLYGDLGSBQC-VZSAFFHGSA-N 0 3 267.394 2.012 20 30 CEEDHN CC[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)N(CC)CC ZINC000612367346 347874950 /nfs/dbraw/zinc/87/49/50/347874950.db2.gz FBPNJJXAYWTBIO-ZFWWWQNUSA-N 0 3 265.401 2.259 20 30 CEEDHN Cc1ccc2nccc(NC3CCN(CC#N)CC3)c2c1 ZINC000612783642 347925837 /nfs/dbraw/zinc/92/58/37/347925837.db2.gz GBKZSYZTVKNFET-UHFFFAOYSA-N 0 3 280.375 2.365 20 30 CEEDHN CCOC(=O)[C@@H]1CC[C@@H](NCC(C)(C)C#N)C[C@H]1C ZINC000613145967 347981492 /nfs/dbraw/zinc/98/14/92/347981492.db2.gz XVPURNPYOBJBOV-JHJVBQTASA-N 0 3 266.385 2.494 20 30 CEEDHN CC(C)(C#N)c1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000614159998 348152300 /nfs/dbraw/zinc/15/23/00/348152300.db2.gz HVCJLSODIDBMHK-UHFFFAOYSA-N 0 3 285.391 2.185 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](N2CCCC2=O)C1 ZINC000614403205 348194529 /nfs/dbraw/zinc/19/45/29/348194529.db2.gz KBZNEQCCNLCDCP-MRXNPFEDSA-N 0 3 283.375 2.063 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(OCCCO)CC1 ZINC000614963102 348260328 /nfs/dbraw/zinc/26/03/28/348260328.db2.gz VJFRYVPKXFIJFF-AWEZNQCLSA-N 0 3 288.391 2.483 20 30 CEEDHN N#CC1CCN(CCC(=O)NCC2CCCCC2)CC1 ZINC000066873106 362891596 /nfs/dbraw/zinc/89/15/96/362891596.db2.gz ZNQGSAUYIZYUBY-UHFFFAOYSA-N 0 3 277.412 2.309 20 30 CEEDHN C=CCN1CC[C@H](N(CCC(C)C)C2CC2)C1=O ZINC000337141545 539637266 /nfs/dbraw/zinc/63/72/66/539637266.db2.gz SLKSUMCQRUACIX-AWEZNQCLSA-N 0 3 250.386 2.284 20 30 CEEDHN CC(C#N)C(=O)N1CCN(c2ccccc2F)C[C@@H]1C ZINC000616172109 348451641 /nfs/dbraw/zinc/45/16/41/348451641.db2.gz UTHNVVMVNCWXQO-NEPJUHHUSA-N 0 3 275.327 2.022 20 30 CEEDHN C=CCN(C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)[C@@H](C)COC ZINC000617579010 348742223 /nfs/dbraw/zinc/74/22/23/348742223.db2.gz WAGDTWBTGDXNSB-XGUBFFRZSA-N 0 3 282.428 2.297 20 30 CEEDHN N#Cc1ccc(CNCCc2cnc(C3CC3)nc2)o1 ZINC000339509094 215219677 /nfs/dbraw/zinc/21/96/77/215219677.db2.gz XFKSXUGXGLMTFJ-UHFFFAOYSA-N 0 3 268.320 2.151 20 30 CEEDHN CN(Cc1ccccc1)[C@H]1CCN(c2cc(C#N)ncn2)C1 ZINC000617956952 348838132 /nfs/dbraw/zinc/83/81/32/348838132.db2.gz XOFBDCLIBJSEEU-INIZCTEOSA-N 0 3 293.374 2.059 20 30 CEEDHN Cc1cc(CNc2cnn(CCN(C)C)c2)ccc1C#N ZINC000618192401 348897321 /nfs/dbraw/zinc/89/73/21/348897321.db2.gz PNZMDMKBRFHMLX-UHFFFAOYSA-N 0 3 283.379 2.237 20 30 CEEDHN C=CCC1(NC(=O)[C@H](CC)N(CC)CC)CCOCC1 ZINC000618248060 348905862 /nfs/dbraw/zinc/90/58/62/348905862.db2.gz SQCUUVQPYDUTLA-AWEZNQCLSA-N 0 3 282.428 2.348 20 30 CEEDHN COCC[C@@]1(NCc2ccc(C#N)cc2C)CCOC1 ZINC000618550992 348973417 /nfs/dbraw/zinc/97/34/17/348973417.db2.gz IZQKDTSYFIEPQQ-MRXNPFEDSA-N 0 3 274.364 2.152 20 30 CEEDHN C[C@H](NCc1ccnc(N)c1)c1cccc(C#N)c1 ZINC000618752431 349035850 /nfs/dbraw/zinc/03/58/50/349035850.db2.gz BZTBBLAHRLCVOC-NSHDSACASA-N 0 3 252.321 2.217 20 30 CEEDHN C[C@H]1[C@H](Nc2cncc(C#N)n2)CCN1Cc1ccccc1 ZINC000401413532 233181652 /nfs/dbraw/zinc/18/16/52/233181652.db2.gz WNHGOFQFCPKBRE-XJKSGUPXSA-N 0 3 293.374 2.423 20 30 CEEDHN C[C@@H]1[C@@H](Nc2cncc(C#N)n2)CCN1Cc1ccccc1 ZINC000401413519 233181948 /nfs/dbraw/zinc/18/19/48/233181948.db2.gz WNHGOFQFCPKBRE-CJNGLKHVSA-N 0 3 293.374 2.423 20 30 CEEDHN C=CCOCCCC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000618989106 349087560 /nfs/dbraw/zinc/08/75/60/349087560.db2.gz JOGRTSMTYCSGGK-OAHLLOKOSA-N 0 3 282.428 2.206 20 30 CEEDHN C[C@@H](C(=O)N1CCC[C@@H]1CN(C)C)c1cccc(C#N)c1 ZINC000362753310 233174460 /nfs/dbraw/zinc/17/44/60/233174460.db2.gz RYCQZJOHDXKCIU-CZUORRHYSA-N 0 3 285.391 2.214 20 30 CEEDHN C[C@H](CCC#N)CN1CCS[C@@H]2COCC[C@H]21 ZINC000618888438 349060820 /nfs/dbraw/zinc/06/08/20/349060820.db2.gz SZEOSCFOOAWCLD-JHJVBQTASA-N 0 3 254.399 2.133 20 30 CEEDHN CC[C@@H](C(=O)N[C@H]1CCc2cc(C#N)ccc21)N(C)C ZINC000618891034 349061675 /nfs/dbraw/zinc/06/16/75/349061675.db2.gz RDOQHUGTRXZCFN-GJZGRUSLSA-N 0 3 271.364 2.002 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC=CCC2)cc1 ZINC000619306681 349151623 /nfs/dbraw/zinc/15/16/23/349151623.db2.gz RSMIGVKTWVMVEL-OAHLLOKOSA-N 0 3 265.316 2.029 20 30 CEEDHN Cc1cccc(C)c1OC[C@H](O)CN[C@H]1CC[C@H](C#N)C1 ZINC000619672288 349214388 /nfs/dbraw/zinc/21/43/88/349214388.db2.gz GPEFWOUTFLFTNN-HRCADAONSA-N 0 3 288.391 2.325 20 30 CEEDHN COc1cccc([C@H](CO)N[C@H]2CC[C@@H](C#N)C2)c1 ZINC000619672862 349215138 /nfs/dbraw/zinc/21/51/38/349215138.db2.gz RLNFPEPCVWGYDJ-ZLDLUXBVSA-N 0 3 260.337 2.010 20 30 CEEDHN C[S@@](=O)C1(CN[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000619674045 349215165 /nfs/dbraw/zinc/21/51/65/349215165.db2.gz VXHQLRNJFVOJAF-FOIQADDNSA-N 0 3 288.416 2.436 20 30 CEEDHN N#Cc1ccc(CN2CC(C3CCOCC3)C2)cc1 ZINC000619726582 349230455 /nfs/dbraw/zinc/23/04/55/349230455.db2.gz LDDXKYJIJWGJJY-UHFFFAOYSA-N 0 3 256.349 2.417 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)NCCN2CCC(C)CC2)C1 ZINC000623461287 350025536 /nfs/dbraw/zinc/02/55/36/350025536.db2.gz FWWIWURGFWEWJT-HNNXBMFYSA-N 0 3 279.428 2.326 20 30 CEEDHN C=CC(C)(C)CCNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000623725479 350093939 /nfs/dbraw/zinc/09/39/39/350093939.db2.gz ABNCXYIYPQWOQP-GFCCVEGCSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)NCC2(N(C)C)CCC2)C1 ZINC000623916075 350141987 /nfs/dbraw/zinc/14/19/87/350141987.db2.gz BTGWKIRYDAWQBK-ZDUSSCGKSA-N 0 3 265.401 2.078 20 30 CEEDHN C[C@H](CNc1cnccc1C#N)N1CCC[C@H](C)C1 ZINC000271266453 191037512 /nfs/dbraw/zinc/03/75/12/191037512.db2.gz LNLNWRHQRRXXNA-QWHCGFSZSA-N 0 3 258.369 2.486 20 30 CEEDHN C[C@@H]1CC(C)(C)CN1CC(=O)NCc1cccc(C#N)c1 ZINC000412050189 233323874 /nfs/dbraw/zinc/32/38/74/233323874.db2.gz XTEMMFWMMDUGIR-CYBMUJFWSA-N 0 3 285.391 2.295 20 30 CEEDHN N#Cc1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c(Cl)c1 ZINC000091670540 180224745 /nfs/dbraw/zinc/22/47/45/180224745.db2.gz GZJLNAGYMBOLJO-CHWSQXEVSA-N 0 3 291.782 2.487 20 30 CEEDHN N#Cc1ccccc1N1CCCN(CC2=CCCOC2)CC1 ZINC000091792543 180257553 /nfs/dbraw/zinc/25/75/53/180257553.db2.gz MYZVQWUIFFCQSV-UHFFFAOYSA-N 0 3 297.402 2.417 20 30 CEEDHN CCCCN(CC)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625053979 350397707 /nfs/dbraw/zinc/39/77/07/350397707.db2.gz SARNYFATPBEHIU-UHFFFAOYSA-N 0 3 298.386 2.408 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccncc2)CC1 ZINC000106252885 186105107 /nfs/dbraw/zinc/10/51/07/186105107.db2.gz WUNGQROIQQEZEB-UHFFFAOYSA-N 0 3 274.368 2.244 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)NCc2ccc(OC)cc2)C1 ZINC000625701736 350550838 /nfs/dbraw/zinc/55/08/38/350550838.db2.gz CEGNVPSRAGRLOW-HNNXBMFYSA-N 0 3 288.391 2.209 20 30 CEEDHN CN1CCC[C@H](CNC(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000108514811 186221057 /nfs/dbraw/zinc/22/10/57/186221057.db2.gz NQUXYIRZFGSMNV-LLVKDONJSA-N 0 3 290.342 2.161 20 30 CEEDHN CCN(CCC#N)C(=O)CN1[C@@H](C)CCC[C@@H]1C ZINC000108863965 186232972 /nfs/dbraw/zinc/23/29/72/186232972.db2.gz WLWLSVFZZOUKEN-STQMWFEESA-N 0 3 251.374 2.011 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC000628488132 351114901 /nfs/dbraw/zinc/11/49/01/351114901.db2.gz SGZOKKFFLRHUDT-HZSPNIEDSA-N 0 3 250.386 2.284 20 30 CEEDHN N#Cc1cc(N2CCN(CC3CCCCC3)CC2)ncn1 ZINC000569064590 299176397 /nfs/dbraw/zinc/17/63/97/299176397.db2.gz PZRLFGBZHPQNRZ-UHFFFAOYSA-N 0 3 285.395 2.051 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@@H]2CCC[C@@H](C)C2)C1=O ZINC000337121319 366027053 /nfs/dbraw/zinc/02/70/53/366027053.db2.gz AELSBEIQHOUTTE-MCIONIFRSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCN1CC[C@H](N2CCC[C@@](C)(CC)C2)C1=O ZINC000337170114 366049522 /nfs/dbraw/zinc/04/95/22/366049522.db2.gz DYSIHJMQQGYZLJ-DZGCQCFKSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@@H]2C[C@@H](OC)C2(CC)CC)C1=O ZINC000337189400 366063317 /nfs/dbraw/zinc/06/33/17/366063317.db2.gz RMQSXQIRBJFAAT-RRFJBIMHSA-N 0 3 294.439 2.299 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC(C(C)C)CC2)C1=O ZINC000337198218 366069757 /nfs/dbraw/zinc/06/97/57/366069757.db2.gz XXZDHKHYIPGPAR-CQSZACIVSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCN1CC[C@H](N[C@H]2CCCC[C@H]2SCC)C1=O ZINC000337209673 366078201 /nfs/dbraw/zinc/07/82/01/366078201.db2.gz SKVORVQYJQFSMS-MELADBBJSA-N 0 3 282.453 2.427 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](Cc2ccccc2)C1 ZINC000124172187 187124870 /nfs/dbraw/zinc/12/48/70/187124870.db2.gz NFNDLAJKJJFRFK-GOEBONIOSA-N 0 3 272.392 2.242 20 30 CEEDHN Cc1ccc2ncc(C#N)c(N(C)CCN(C)C)c2c1 ZINC000291918000 198105558 /nfs/dbraw/zinc/10/55/58/198105558.db2.gz LJQQPGCBIPYKMK-UHFFFAOYSA-N 0 3 268.364 2.413 20 30 CEEDHN C=CCN(C(=O)NC1CCN(CC(=C)C)CC1)C1CC1 ZINC000271489265 191170054 /nfs/dbraw/zinc/17/00/54/191170054.db2.gz JSFICCWWYVGXPC-UHFFFAOYSA-N 0 3 277.412 2.387 20 30 CEEDHN C=CC[C@H](CO)CNCc1cccc(OC)c1F ZINC000669684291 539914706 /nfs/dbraw/zinc/91/47/06/539914706.db2.gz WMWJOTNGLQBIED-NSHDSACASA-N 0 3 253.317 2.109 20 30 CEEDHN C#CCSCCNCc1cc(OC)c(OC)cc1OC ZINC000152944998 188055388 /nfs/dbraw/zinc/05/53/88/188055388.db2.gz PFOWFSKXXYUNMO-UHFFFAOYSA-N 0 3 295.404 2.168 20 30 CEEDHN C#CC[NH+]1CCC(C(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC000153697047 188097928 /nfs/dbraw/zinc/09/79/28/188097928.db2.gz HQHIIHWAODGCGQ-UHFFFAOYSA-N 0 3 292.766 2.329 20 30 CEEDHN CN1CCC(CC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000292333528 198247629 /nfs/dbraw/zinc/24/76/29/198247629.db2.gz XGLBOYILAALDSM-UHFFFAOYSA-N 0 3 297.402 2.395 20 30 CEEDHN C#CCCCCNC(=O)c1ccccc1OCCN(C)C ZINC000156136452 188244710 /nfs/dbraw/zinc/24/47/10/188244710.db2.gz AMDVZJAFZUNKPU-UHFFFAOYSA-N 0 3 288.391 2.160 20 30 CEEDHN C[C@](O)(CNCc1ccc(C#N)o1)c1ccc(F)cc1 ZINC000157822433 188341776 /nfs/dbraw/zinc/34/17/76/188341776.db2.gz JWPNKJPZLDYAPA-HNNXBMFYSA-N 0 3 274.295 2.288 20 30 CEEDHN CCOC1(CNCc2cnc3c(C#N)cnn3c2)CCCC1 ZINC000569456560 299203841 /nfs/dbraw/zinc/20/38/41/299203841.db2.gz JLFOOMADWVKIAY-UHFFFAOYSA-N 0 3 299.378 2.040 20 30 CEEDHN C=CCOc1ccc(CN(CC)CCO)cc1OC ZINC000158666610 188388252 /nfs/dbraw/zinc/38/82/52/188388252.db2.gz OGWZTKGVFGEAQG-UHFFFAOYSA-N 0 3 265.353 2.074 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)COc2ccsc2)CC1 ZINC000337483347 366155959 /nfs/dbraw/zinc/15/59/59/366155959.db2.gz GDQOTQBCHRVVLC-UHFFFAOYSA-N 0 3 294.420 2.284 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000338140993 366208995 /nfs/dbraw/zinc/20/89/95/366208995.db2.gz AVUAHKXZWVRFBB-ZDUSSCGKSA-N 0 3 285.391 2.471 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000338132032 366204646 /nfs/dbraw/zinc/20/46/46/366204646.db2.gz PXKXADHJCVSIKH-BXUZGUMPSA-N 0 3 271.364 2.079 20 30 CEEDHN N#CC1(C(=O)N2CC[C@H](N3CCCC3)C2)CCCCC1 ZINC000071138520 283042733 /nfs/dbraw/zinc/04/27/33/283042733.db2.gz SBOWNQSKCPGVFD-AWEZNQCLSA-N 0 3 275.396 2.157 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCC(N3CCCCC3=O)CC2)C1 ZINC000336376042 283058240 /nfs/dbraw/zinc/05/82/40/283058240.db2.gz RUYQPPIXKIICLD-UKRRQHHQSA-N 0 3 275.396 2.156 20 30 CEEDHN Cc1cc(CN2CCC[C@H](CO)CC2)ccc1C#N ZINC000336373377 213225548 /nfs/dbraw/zinc/22/55/48/213225548.db2.gz OKSNXVQFXIUNAK-AWEZNQCLSA-N 0 3 258.365 2.461 20 30 CEEDHN CN1CC=C(CNCc2ccc(C#N)cc2F)CC1 ZINC000271770270 191316643 /nfs/dbraw/zinc/31/66/43/191316643.db2.gz BNJRWGFDGACWNK-UHFFFAOYSA-N 0 3 259.328 2.049 20 30 CEEDHN C=CCCN(C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000682543479 540112298 /nfs/dbraw/zinc/11/22/98/540112298.db2.gz HVXXKPGXXJTARG-MRXNPFEDSA-N 0 3 287.407 2.328 20 30 CEEDHN CC#CCNc1ccccc1CN1CCC(CO)CC1 ZINC000271826529 191350445 /nfs/dbraw/zinc/35/04/45/191350445.db2.gz NZSCFLCRNGVYJZ-UHFFFAOYSA-N 0 3 272.392 2.326 20 30 CEEDHN CC(C)N1C[C@@H](N[C@@H](C)c2cccc(C#N)c2)CC1=O ZINC000271862205 191375468 /nfs/dbraw/zinc/37/54/68/191375468.db2.gz KRWWSJXEQPIUMJ-WFASDCNBSA-N 0 3 271.364 2.218 20 30 CEEDHN C[C@@H](NC[C@@H](O)c1cccnc1)c1ccc(C#N)cc1 ZINC000271871512 191380681 /nfs/dbraw/zinc/38/06/81/191380681.db2.gz MVOMPWWJIRPAMJ-MLGOLLRUSA-N 0 3 267.332 2.337 20 30 CEEDHN CC(C)[C@H](O)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271930977 191415815 /nfs/dbraw/zinc/41/58/15/191415815.db2.gz IIZAEUYIANJYNT-IINYFYTJSA-N 0 3 250.317 2.365 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H](CC)c1ccccc1 ZINC000272858090 191948910 /nfs/dbraw/zinc/94/89/10/191948910.db2.gz MEKLYOSYWFGILT-CQSZACIVSA-N 0 3 267.394 2.328 20 30 CEEDHN N#Cc1ccc(N2CCN(c3ccncc3)CC2)cc1 ZINC000196993016 540222649 /nfs/dbraw/zinc/22/26/49/540222649.db2.gz LAUMBTSZIBIGBN-UHFFFAOYSA-N 0 3 264.332 2.280 20 30 CEEDHN CCOC(=O)[C@H](C)[C@H](C)NCc1cccc(C#N)c1 ZINC000273672057 192256105 /nfs/dbraw/zinc/25/61/05/192256105.db2.gz GBUNMIJISKBVRK-NEPJUHHUSA-N 0 3 260.337 2.236 20 30 CEEDHN C=CCNC(=O)CN1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000134263528 366303992 /nfs/dbraw/zinc/30/39/92/366303992.db2.gz HXUWZFBWLFDLCV-HNNXBMFYSA-N 0 3 272.392 2.414 20 30 CEEDHN C=CCCCN(C)CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000076736799 363543983 /nfs/dbraw/zinc/54/39/83/363543983.db2.gz ZYFRVSVKNQVFCV-UONOGXRCSA-N 0 3 295.427 2.289 20 30 CEEDHN C=CCCCN(C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000076735618 363544588 /nfs/dbraw/zinc/54/45/88/363544588.db2.gz YPIBCNFTYMNCPL-HIFRSBDPSA-N 0 3 265.401 2.327 20 30 CEEDHN C[C@H](NCc1ccnc(N)c1)c1ccc(C#N)cc1 ZINC000338361137 366317016 /nfs/dbraw/zinc/31/70/16/366317016.db2.gz PFZJIHGPKUHIPK-NSHDSACASA-N 0 3 252.321 2.217 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H](OC)C2CCCC2)CC1 ZINC000668370208 538894224 /nfs/dbraw/zinc/89/42/24/538894224.db2.gz QGBKNUQNNKIGTC-MRXNPFEDSA-N 0 3 294.439 2.348 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)N2CCC(CCC#N)CC2)C1 ZINC000577949267 366419094 /nfs/dbraw/zinc/41/90/94/366419094.db2.gz DDZSKVIOXWZWNF-OAHLLOKOSA-N 0 3 292.427 2.196 20 30 CEEDHN CC(C)(C#N)CCCN1CCOC2(CCOCC2)C1 ZINC000135608408 366459483 /nfs/dbraw/zinc/45/94/83/366459483.db2.gz XPRHXFLKJWICSW-UHFFFAOYSA-N 0 3 266.385 2.198 20 30 CEEDHN N#CCC1(CNC[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000578523111 366508135 /nfs/dbraw/zinc/50/81/35/366508135.db2.gz LVOAFELOPUQCNN-CYBMUJFWSA-N 0 3 299.374 2.191 20 30 CEEDHN C[C@@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccc(C#N)cc1 ZINC000417117196 237011718 /nfs/dbraw/zinc/01/17/18/237011718.db2.gz RTXQACDCGRZAJC-FRRDWIJNSA-N 0 3 286.379 2.011 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000671732659 540494956 /nfs/dbraw/zinc/49/49/56/540494956.db2.gz HXYVBAVYGCUGLU-HUUCEWRRSA-N 0 3 291.391 2.475 20 30 CEEDHN C[C@@H]1CCN(CC(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000571060264 299292593 /nfs/dbraw/zinc/29/25/93/299292593.db2.gz KFFSTINWGZTLLG-DYVFJYSZSA-N 0 3 297.402 2.394 20 30 CEEDHN C[C@H]1[C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])CCCN1C ZINC000341564235 216014963 /nfs/dbraw/zinc/01/49/63/216014963.db2.gz LLFJMHNRERMISW-JQWIXIFHSA-N 0 3 274.324 2.361 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000579241941 366616078 /nfs/dbraw/zinc/61/60/78/366616078.db2.gz GAFJOCADOSSWEW-BBRMVZONSA-N 0 3 288.391 2.052 20 30 CEEDHN CCCNC(=O)CCCN(C)Cc1ccc(C#N)cc1 ZINC000297904253 200301641 /nfs/dbraw/zinc/30/16/41/200301641.db2.gz PCAFCUHWEMYFCZ-UHFFFAOYSA-N 0 3 273.380 2.296 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000579436803 366644468 /nfs/dbraw/zinc/64/44/68/366644468.db2.gz VYILTLLPPUTRMV-KDEOKCCVSA-N 0 3 299.418 2.081 20 30 CEEDHN CN(C)CCN(C)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000177022310 189021096 /nfs/dbraw/zinc/02/10/96/189021096.db2.gz JMPNUGWXBUFMJW-UHFFFAOYSA-N 0 3 291.399 2.140 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccccc2C#N)CN1C1CC1 ZINC000177088448 189028320 /nfs/dbraw/zinc/02/83/20/189028320.db2.gz FRVMDUUPDQXLAS-OKZVOGLASA-N 0 3 295.386 2.313 20 30 CEEDHN N#Cc1ccc(CN(CC[C@@H]2CCOC2=O)C2CC2)cc1 ZINC000177660036 189061645 /nfs/dbraw/zinc/06/16/45/189061645.db2.gz IPKNAUTXHDNSGW-OAHLLOKOSA-N 0 3 284.359 2.476 20 30 CEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C#N)cs2)C1 ZINC000178525188 189123779 /nfs/dbraw/zinc/12/37/79/189123779.db2.gz CEDDOOLANSLMCH-OLZOCXBDSA-N 0 3 289.404 2.176 20 30 CEEDHN C=CCC[C@H](O)CN(C)Cc1ccc(OC)c(OC)c1 ZINC000675486165 540846911 /nfs/dbraw/zinc/84/69/11/540846911.db2.gz KRISWZDJGVJLOB-AWEZNQCLSA-N 0 3 279.380 2.463 20 30 CEEDHN COC[C@@H](C)N(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179946301 189229076 /nfs/dbraw/zinc/22/90/76/189229076.db2.gz LKGCSZWEFVETND-CYBMUJFWSA-N 0 3 298.390 2.425 20 30 CEEDHN C=CCNC(=O)CN[C@H]1C[C@@H](C)c2c1cccc2C ZINC000180035594 189233763 /nfs/dbraw/zinc/23/37/63/189233763.db2.gz JMBUACJYLHCYSY-OCCSQVGLSA-N 0 3 258.365 2.435 20 30 CEEDHN COc1cc(CN[C@H]2C[C@H]2C(F)F)ccc1C#N ZINC000342236876 216273912 /nfs/dbraw/zinc/27/39/12/216273912.db2.gz RFAXXLXBRKGMIQ-MNOVXSKESA-N 0 3 252.264 2.310 20 30 CEEDHN N#CC1(CCN2CCC[C@@]23CCNC3=O)CCCCC1 ZINC000579727917 366694956 /nfs/dbraw/zinc/69/49/56/366694956.db2.gz BQYZTSVJVSIQHB-INIZCTEOSA-N 0 3 275.396 2.205 20 30 CEEDHN C[C@@H]1CC[C@@H](N(CCO)Cc2cnc3ccc(C#N)cn23)C1 ZINC000356372698 370683580 /nfs/dbraw/zinc/68/35/80/370683580.db2.gz UOXNQNFCVVSOKO-UKRRQHHQSA-N 0 3 298.390 2.189 20 30 CEEDHN N#Cc1cccc(OCCN2CC[C@]3(CCOC3)C2)c1 ZINC000153889451 366742652 /nfs/dbraw/zinc/74/26/52/366742652.db2.gz CLEZMJPJZKKRJD-INIZCTEOSA-N 0 3 272.348 2.049 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000678894971 541188958 /nfs/dbraw/zinc/18/89/58/541188958.db2.gz JGNHRKXKGXZRBM-RHSMWYFYSA-N 0 3 289.375 2.436 20 30 CEEDHN CCN1CCCC[C@@H]1CNc1nc2ccccn2c1C#N ZINC000302082121 201335087 /nfs/dbraw/zinc/33/50/87/201335087.db2.gz JLBBFPFPQASHBI-CYBMUJFWSA-N 0 3 283.379 2.492 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1NC1CCN(C)CC1 ZINC000302106449 201344484 /nfs/dbraw/zinc/34/44/84/201344484.db2.gz NTJIELVTLZFJNI-UHFFFAOYSA-N 0 3 257.337 2.267 20 30 CEEDHN CC(C)CN(CCN(C)C)C(=O)c1cc(C#N)cs1 ZINC000084181082 363800324 /nfs/dbraw/zinc/80/03/24/363800324.db2.gz JEXXGEZQLHMEAO-UHFFFAOYSA-N 0 3 279.409 2.280 20 30 CEEDHN C[C@@H](CNC(=O)c1cc(C#N)cs1)N1CCC[C@H](C)C1 ZINC000084181261 363800343 /nfs/dbraw/zinc/80/03/43/363800343.db2.gz ZZLDPABHMICNSZ-RYUDHWBXSA-N 0 3 291.420 2.470 20 30 CEEDHN CCCN(CCCC(C)(C)C#N)CC(=O)N(C)C ZINC000087608600 363862571 /nfs/dbraw/zinc/86/25/71/363862571.db2.gz IWWMELCPOXEEHW-UHFFFAOYSA-N 0 3 253.390 2.117 20 30 CEEDHN C=CCOCCN[C@H](C)c1cccc(N2CCOCC2)c1 ZINC000679576678 541293218 /nfs/dbraw/zinc/29/32/18/541293218.db2.gz RAWQWJWDTUQTOV-OAHLLOKOSA-N 0 3 290.407 2.376 20 30 CEEDHN C=CCN1CCC(N[C@H](C)c2nccs2)CC1 ZINC000093405878 364175059 /nfs/dbraw/zinc/17/50/59/364175059.db2.gz GLOPGEHUISCDCJ-LLVKDONJSA-N 0 3 251.399 2.444 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000334729127 364240880 /nfs/dbraw/zinc/24/08/80/364240880.db2.gz XNPZMRRAMIPVRA-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1sccc1C#N ZINC000335103129 364480369 /nfs/dbraw/zinc/48/03/69/364480369.db2.gz GEJWCXNJMLUHGW-YPMHNXCESA-N 0 3 289.404 2.319 20 30 CEEDHN CCN(CC1CC1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000157904315 366850261 /nfs/dbraw/zinc/85/02/61/366850261.db2.gz VMFHDTLSBHEDTO-DOMZBBRYSA-N 0 3 265.401 2.161 20 30 CEEDHN CCN1CCCC[C@H]1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000104142536 364681646 /nfs/dbraw/zinc/68/16/46/364681646.db2.gz ATHAWLHXPYKQPB-INIZCTEOSA-N 0 3 285.391 2.391 20 30 CEEDHN CC(C#N)C(=O)NC(C)(C)c1nc2ccccc2n1C ZINC000335372638 364696211 /nfs/dbraw/zinc/69/62/11/364696211.db2.gz KDOJBSOXIYIBCP-SNVBAGLBSA-N 0 3 270.336 2.084 20 30 CEEDHN C=CCN(CC=C)[C@H](CNc1cnc(C#N)cn1)C(C)C ZINC000106464074 364705889 /nfs/dbraw/zinc/70/58/89/364705889.db2.gz NEKQFGMGEGZBNR-OAHLLOKOSA-N 0 3 285.395 2.459 20 30 CEEDHN CCCCN(C)CCNC(=O)CCc1ccc(C#N)cc1 ZINC000112311379 364791149 /nfs/dbraw/zinc/79/11/49/364791149.db2.gz VUXBCLKRLGWTRL-UHFFFAOYSA-N 0 3 287.407 2.339 20 30 CEEDHN COCCOC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000116886656 365077949 /nfs/dbraw/zinc/07/79/49/365077949.db2.gz MXAGERWJBOFCJB-UHFFFAOYSA-N 0 3 274.364 2.186 20 30 CEEDHN C[C@@H](N[C@@H]1CNCCC1(F)F)c1cccc(C#N)c1 ZINC000335571046 212281134 /nfs/dbraw/zinc/28/11/34/212281134.db2.gz YBBFUOLXACUGQD-ZWNOBZJWSA-N 0 3 265.307 2.206 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H](CO)CC2)cc1F ZINC000335909614 365149756 /nfs/dbraw/zinc/14/97/56/365149756.db2.gz YKVCJRZSUCVWAI-GFCCVEGCSA-N 0 3 262.328 2.292 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000680998260 541485653 /nfs/dbraw/zinc/48/56/53/541485653.db2.gz ZNBDLZYTKTZGCO-JSGCOSHPSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(Cc2ncc[nH]2)CC1 ZINC000340887235 367074878 /nfs/dbraw/zinc/07/48/78/367074878.db2.gz ZFSMBTNKLQGLGI-CQSZACIVSA-N 0 3 262.401 2.272 20 30 CEEDHN C#CCN1CCC(C(=O)NCCCSCC(C)C)CC1 ZINC000160697412 367028816 /nfs/dbraw/zinc/02/88/16/367028816.db2.gz VAHOXPICNWQLRQ-UHFFFAOYSA-N 0 3 296.480 2.227 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](C)CC[C@@H]1C ZINC000245444707 370821389 /nfs/dbraw/zinc/82/13/89/370821389.db2.gz JUTLSCYJFKXCGC-MJBXVCDLSA-N 0 3 265.401 2.115 20 30 CEEDHN CC(C#N)C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000357808527 370829007 /nfs/dbraw/zinc/82/90/07/370829007.db2.gz VTQUPUKUZPKRLZ-ZDUSSCGKSA-N 0 3 272.348 2.354 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)NCC2(C#N)CC2)c1 ZINC000584506446 367165310 /nfs/dbraw/zinc/16/53/10/367165310.db2.gz VBJGZPCAFALGDV-UHFFFAOYSA-N 0 3 272.352 2.173 20 30 CEEDHN CC(C)[C@@H](NC(=O)C(C)C#N)c1ccc2c(c1)OCCO2 ZINC000357828771 370830904 /nfs/dbraw/zinc/83/09/04/370830904.db2.gz NULGHSDGOOVCQV-XHDPSFHLSA-N 0 3 288.347 2.431 20 30 CEEDHN C=CCCN(C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000342232549 367396422 /nfs/dbraw/zinc/39/64/22/367396422.db2.gz QACIVOPJOYRQSB-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)ccn1 ZINC000342438668 367409458 /nfs/dbraw/zinc/40/94/58/367409458.db2.gz IIBRVSUXLKPHPS-CYBMUJFWSA-N 0 3 266.304 2.287 20 30 CEEDHN N#CCCCCN1CCCN(c2nccs2)CC1 ZINC000171034673 367465713 /nfs/dbraw/zinc/46/57/13/367465713.db2.gz QJRMLVDDKWGGPH-UHFFFAOYSA-N 0 3 264.398 2.349 20 30 CEEDHN CCC[C@@]1(CO)CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000342866411 367579587 /nfs/dbraw/zinc/57/95/87/367579587.db2.gz ZTPMEQBPELCUOH-KRWDZBQOSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccc(C)c2)CC1 ZINC000171725842 367603578 /nfs/dbraw/zinc/60/35/78/367603578.db2.gz FSLMROAQMCIBJK-UHFFFAOYSA-N 0 3 258.365 2.375 20 30 CEEDHN C#CCCCN[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173451718 367912082 /nfs/dbraw/zinc/91/20/82/367912082.db2.gz YLOXDHFREFILHC-ZDUSSCGKSA-N 0 3 294.420 2.001 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1ccc(F)c(C#N)c1 ZINC000343579342 367897904 /nfs/dbraw/zinc/89/79/04/367897904.db2.gz VODIGVQCVJTVIH-AWEZNQCLSA-N 0 3 289.354 2.302 20 30 CEEDHN COCCCOCCN(C)Cc1ccc(CC#N)cc1 ZINC000343772972 367996732 /nfs/dbraw/zinc/99/67/32/367996732.db2.gz TXFGYTPVMVJZHE-UHFFFAOYSA-N 0 3 276.380 2.238 20 30 CEEDHN C=CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000174042928 367974954 /nfs/dbraw/zinc/97/49/54/367974954.db2.gz PQSAZGLOZBEANS-HNNXBMFYSA-N 0 3 287.407 2.478 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](C(C)(C)C)C1 ZINC000344208226 368115009 /nfs/dbraw/zinc/11/50/09/368115009.db2.gz JZCGTFBMCXCGGD-CZUORRHYSA-N 0 3 279.428 2.409 20 30 CEEDHN N#Cc1csc(CNCCn2c(=O)[nH]c3ccccc32)c1 ZINC000175878987 368185629 /nfs/dbraw/zinc/18/56/29/368185629.db2.gz WVQYNRDKDMXAFW-UHFFFAOYSA-N 0 3 298.371 2.053 20 30 CEEDHN Cc1cc(CN2CCC[C@H]2CN2CCOCC2)ccc1C#N ZINC000345237994 368203053 /nfs/dbraw/zinc/20/30/53/368203053.db2.gz OBVFLZUZFUCWGW-SFHVURJKSA-N 0 3 299.418 2.163 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000180902370 368401185 /nfs/dbraw/zinc/40/11/85/368401185.db2.gz GSLULNMULXAQDZ-KGLIPLIRSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCNC(=O)CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181205350 368431322 /nfs/dbraw/zinc/43/13/22/368431322.db2.gz KPQNBHZIJAKLJD-GOEBONIOSA-N 0 3 288.391 2.046 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000345901297 368476305 /nfs/dbraw/zinc/47/63/05/368476305.db2.gz JQRYIBANEAYLOT-XHSDSOJGSA-N 0 3 292.423 2.054 20 30 CEEDHN CCN1C[C@H](C)N(Cc2ccccc2C#N)C[C@@H]1C ZINC000346169501 368574285 /nfs/dbraw/zinc/57/42/85/368574285.db2.gz QRIQBPZSUODCJN-KBPBESRZSA-N 0 3 257.381 2.473 20 30 CEEDHN C[C@H](C#N)CNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000182829753 368594436 /nfs/dbraw/zinc/59/44/36/368594436.db2.gz HRNGQOOBXCEKAX-CQSZACIVSA-N 0 3 292.427 2.054 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NCC1(SC)CCN(C)CC1 ZINC000358128981 370916649 /nfs/dbraw/zinc/91/66/49/370916649.db2.gz SFYUOFHKTWPONO-ZDUSSCGKSA-N 0 3 299.484 2.468 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CC[C@H](C(C)(C)C)C[C@H]1C 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C=CCCN(C)[C@@H](C)C(=O)NCc1ccccc1OC ZINC000276364987 193301581 /nfs/dbraw/zinc/30/15/81/193301581.db2.gz GFVIPCUMAPWCCC-ZDUSSCGKSA-N 0 3 276.380 2.208 20 30 CEEDHN C=CCCS(=O)(=O)N(CCN(CC)CC)CC(C)C ZINC000351424409 369634915 /nfs/dbraw/zinc/63/49/15/369634915.db2.gz VZQFDCZDXJZOFX-UHFFFAOYSA-N 0 3 290.473 2.192 20 30 CEEDHN C=CCC[C@H](O)CN1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC000351472115 369636382 /nfs/dbraw/zinc/63/63/82/369636382.db2.gz OFEXAICSTOGNRM-PMPSAXMXSA-N 0 3 282.428 2.035 20 30 CEEDHN CN(CCOc1ccccc1)Cc1cc(C#N)n(C)c1 ZINC000191148188 369684801 /nfs/dbraw/zinc/68/48/01/369684801.db2.gz SNLZCNFWEWKSOZ-UHFFFAOYSA-N 0 3 269.348 2.408 20 30 CEEDHN Cc1nnc(CCNCc2ccc(C#N)c(C)c2)s1 ZINC000352465071 369743718 /nfs/dbraw/zinc/74/37/18/369743718.db2.gz CIUWJJPBQXTSBP-UHFFFAOYSA-N 0 3 272.377 2.359 20 30 CEEDHN N#Cc1ccc(CN2CC[C@]3(CCOC3)C2)cc1F ZINC000192068203 369770627 /nfs/dbraw/zinc/77/06/27/369770627.db2.gz BJZWLITUWDTVCC-HNNXBMFYSA-N 0 3 260.312 2.310 20 30 CEEDHN 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ZINC000334180978 206154660 /nfs/dbraw/zinc/15/46/60/206154660.db2.gz DSHHAIJGAFQCAD-OAHLLOKOSA-N 0 3 266.348 2.281 20 30 CEEDHN CCN1CC[C@H](N(C)C(=O)c2ccc(C#N)o2)C[C@H]1C ZINC000334227631 206222591 /nfs/dbraw/zinc/22/25/91/206222591.db2.gz FQTJQAKLAGVZIH-NEPJUHHUSA-N 0 3 275.352 2.096 20 30 CEEDHN N#CCSCCCN1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374880432 374632613 /nfs/dbraw/zinc/63/26/13/374632613.db2.gz TZQKDZRNKLDQDG-HNNXBMFYSA-N 0 3 294.395 2.366 20 30 CEEDHN CC[C@@H](NCCOCCOC)c1ccc(C#N)cc1 ZINC000278165733 374739149 /nfs/dbraw/zinc/73/91/49/374739149.db2.gz CBPSMBNFGWDPGX-OAHLLOKOSA-N 0 3 262.353 2.262 20 30 CEEDHN CC[C@H](NCCn1ccnc1)c1ccc(C#N)cc1 ZINC000278175620 374741103 /nfs/dbraw/zinc/74/11/03/374741103.db2.gz CVFIRHYIQVUPOE-HNNXBMFYSA-N 0 3 254.337 2.496 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(C(=O)N(C)C)CC1 ZINC000172394778 296225260 /nfs/dbraw/zinc/22/52/60/296225260.db2.gz DIKLWPYHTSOHNK-ZDUSSCGKSA-N 0 3 285.391 2.419 20 30 CEEDHN C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc(C#N)cc1 ZINC000378455620 375105015 /nfs/dbraw/zinc/10/50/15/375105015.db2.gz RQNWKDFZEFEFQV-RKLWJJNISA-N 0 3 283.375 2.218 20 30 CEEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cn2)C12CCC2 ZINC000573872406 299464261 /nfs/dbraw/zinc/46/42/61/299464261.db2.gz RTGZDOJXTJZKAX-LSDHHAIUSA-N 0 3 271.364 2.391 20 30 CEEDHN C=CCNC(=O)CN1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000280390610 375193229 /nfs/dbraw/zinc/19/32/29/375193229.db2.gz KHHMKCZCIWBZAZ-OAHLLOKOSA-N 0 3 272.392 2.395 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccnn1-c1ccc(F)cc1 ZINC000684396226 541993599 /nfs/dbraw/zinc/99/35/99/541993599.db2.gz XOEYFJQVJDEYQS-ZDUSSCGKSA-N 0 3 275.327 2.038 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2[nH]ccc2C)CC1 ZINC000280698054 375288234 /nfs/dbraw/zinc/28/82/34/375288234.db2.gz SEIASTGMPGFLOS-UHFFFAOYSA-N 0 3 261.369 2.093 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@H](CC(C)C)N(C)C ZINC000280736090 375302692 /nfs/dbraw/zinc/30/26/92/375302692.db2.gz WIISJOQHQKJJCI-LBPRGKRZSA-N 0 3 277.368 2.166 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2.424 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2Cc3ccc(F)cc32)CC1 ZINC000684434239 542004398 /nfs/dbraw/zinc/00/43/98/542004398.db2.gz HRONFQARDVKNKV-INIZCTEOSA-N 0 3 288.366 2.232 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc(OC)c(C#N)c1 ZINC000283121070 375658695 /nfs/dbraw/zinc/65/86/95/375658695.db2.gz MWFVZQNEHDIEJN-NWDGAFQWSA-N 0 3 290.363 2.244 20 30 CEEDHN C=C(C)COCCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415891460 376029152 /nfs/dbraw/zinc/02/91/52/376029152.db2.gz GHNDIOBEVVUMFL-UHFFFAOYSA-N 0 3 289.379 2.047 20 30 CEEDHN Cc1ccc(C#N)c(N[C@H]2CN(C3CC3)C[C@H]2C)n1 ZINC000287663694 376288540 /nfs/dbraw/zinc/28/85/40/376288540.db2.gz BOXNVLPEZFPXGU-YGRLFVJLSA-N 0 3 256.353 2.156 20 30 CEEDHN CC(C)COC[C@H](O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305813066 376501693 /nfs/dbraw/zinc/50/16/93/376501693.db2.gz KNQQRSATWWVVKA-TZMCWYRMSA-N 0 3 294.370 2.381 20 30 CEEDHN C=C1CCN(C[C@H](O)COc2ccccc2C)CC1 ZINC000264430730 190108606 /nfs/dbraw/zinc/10/86/06/190108606.db2.gz CGYSTALBAONYCJ-HNNXBMFYSA-N 0 3 261.365 2.387 20 30 CEEDHN C=CCN1CCC(Nc2nnc(C)c(C)c2C#N)CC1 ZINC000264423592 190108762 /nfs/dbraw/zinc/10/87/62/190108762.db2.gz JCSKQAUOQZMGRR-UHFFFAOYSA-N 0 3 271.368 2.027 20 30 CEEDHN C=CCN1CCC(NC(=O)C=C(C2CC2)C2CC2)CC1 ZINC000264447576 190110458 /nfs/dbraw/zinc/11/04/58/190110458.db2.gz BSDOTVNVYMIAQC-UHFFFAOYSA-N 0 3 274.408 2.499 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCCN1C ZINC000264607721 190122501 /nfs/dbraw/zinc/12/25/01/190122501.db2.gz GXTWMYCXZBMLGB-INIZCTEOSA-N 0 3 288.391 2.304 20 30 CEEDHN C[C@@H](C(=O)N1CCC[C@@H](N(C)C)C1)c1cccc(C#N)c1 ZINC000334389024 206463909 /nfs/dbraw/zinc/46/39/09/206463909.db2.gz RHKGRPKPSIDRRJ-CZUORRHYSA-N 0 3 285.391 2.214 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](CCO)CC1 ZINC000421008637 376784231 /nfs/dbraw/zinc/78/42/31/376784231.db2.gz DNSVRGKMBQVFJQ-CVEARBPZSA-N 0 3 296.455 2.284 20 30 CEEDHN C=CCOCCN1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000420996277 376768028 /nfs/dbraw/zinc/76/80/28/376768028.db2.gz 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/nfs/dbraw/zinc/90/35/98/376903598.db2.gz GFIBELBNXUHGKB-UHFFFAOYSA-N 0 3 292.427 2.431 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2cn3c(n2)CCCC3)CCN1C ZINC000328729646 376886647 /nfs/dbraw/zinc/88/66/47/376886647.db2.gz WFBGTMWXIDFIID-NEPJUHHUSA-N 0 3 276.384 2.007 20 30 CEEDHN CC1(C)C(=O)N[C@H]1C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000562478817 376908002 /nfs/dbraw/zinc/90/80/02/376908002.db2.gz OUZFGFFKQHWCET-INIZCTEOSA-N 0 3 297.402 2.295 20 30 CEEDHN Cn1nccc1[C@@H]1OCC[C@H]1CN1CCC(C)(C#N)CC1 ZINC000328938775 376925154 /nfs/dbraw/zinc/92/51/54/376925154.db2.gz GVMDIAYJGFARSP-DZGCQCFKSA-N 0 3 288.395 2.123 20 30 CEEDHN Cc1ncsc1CNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000329319636 376945131 /nfs/dbraw/zinc/94/51/31/376945131.db2.gz TVOOBMJOZWFDSX-SNVBAGLBSA-N 0 3 294.424 2.106 20 30 CEEDHN Cc1cc(C#N)cc(C)c1OC[C@H](O)CN(C)C1CC1 ZINC000290859919 376958201 /nfs/dbraw/zinc/95/82/01/376958201.db2.gz YNAJFXWRMLLMOU-OAHLLOKOSA-N 0 3 274.364 2.009 20 30 CEEDHN C[C@@H]1CCSCCN1C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1 ZINC000329539303 376966962 /nfs/dbraw/zinc/96/69/62/376966962.db2.gz CKCBAJXYKUPZQP-GHMZBOCLSA-N 0 3 294.424 2.008 20 30 CEEDHN C[C@@H]1CCSCCN1C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1 ZINC000329539303 376966969 /nfs/dbraw/zinc/96/69/69/376966969.db2.gz CKCBAJXYKUPZQP-GHMZBOCLSA-N 0 3 294.424 2.008 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1cnn(C)c1SC ZINC000330664470 377198301 /nfs/dbraw/zinc/19/83/01/377198301.db2.gz GFGJLZBQAICMNY-NSHDSACASA-N 0 3 296.440 2.321 20 30 CEEDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccc(C#N)cn1 ZINC000563357606 377183214 /nfs/dbraw/zinc/18/32/14/377183214.db2.gz WQRMHEWIAWFCQZ-HOCLYGCPSA-N 0 3 287.363 2.165 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1cccc(C#N)c1 ZINC000330962449 377215564 /nfs/dbraw/zinc/21/55/64/377215564.db2.gz AJXQSWDZAGLLJB-STQMWFEESA-N 0 3 271.364 2.047 20 30 CEEDHN CCCCN1CCCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000331069837 377268661 /nfs/dbraw/zinc/26/86/61/377268661.db2.gz CCGBAICFLVLLNZ-AWEZNQCLSA-N 0 3 288.395 2.271 20 30 CEEDHN C=CCCCS(=O)(=O)NCc1cccc(CN(C)C)c1 ZINC000291620909 377202433 /nfs/dbraw/zinc/20/24/33/377202433.db2.gz AGKSQZDWCJOZNL-UHFFFAOYSA-N 0 3 296.436 2.134 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ncc(C)o1)C(C)C ZINC000291679242 377205312 /nfs/dbraw/zinc/20/53/12/377205312.db2.gz DJXKPZYIFMYSNC-CQSZACIVSA-N 0 3 291.395 2.411 20 30 CEEDHN C#CCNC(=O)CCN1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000292904199 377343035 /nfs/dbraw/zinc/34/30/35/377343035.db2.gz WHRFYVBHAPYNLW-XJKSGUPXSA-N 0 3 288.366 2.348 20 30 CEEDHN N#CCc1ccc(CN2CCC[C@H](n3ccnn3)C2)cc1 ZINC000425514531 377357383 /nfs/dbraw/zinc/35/73/83/377357383.db2.gz PWIOOYOGUVJVNS-INIZCTEOSA-N 0 3 281.363 2.181 20 30 CEEDHN CCOCC(C)(C)NCc1ccc(C#N)cc1OC ZINC000293139898 377443994 /nfs/dbraw/zinc/44/39/94/377443994.db2.gz CUDSZWNXCIRDIF-UHFFFAOYSA-N 0 3 262.353 2.472 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000564828575 377468830 /nfs/dbraw/zinc/46/88/30/377468830.db2.gz SJUKFVWKTMQQRY-RYUDHWBXSA-N 0 3 299.296 2.427 20 30 CEEDHN C#CCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000265057910 190155064 /nfs/dbraw/zinc/15/50/64/190155064.db2.gz LHORCWQNIMSGBW-INIZCTEOSA-N 0 3 285.391 2.146 20 30 CEEDHN C[C@H]1CCC(C)(C)N1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000331689882 377489163 /nfs/dbraw/zinc/48/91/63/377489163.db2.gz SKTHYDDYKDLLOT-NHYWBVRUSA-N 0 3 263.385 2.058 20 30 CEEDHN CN1CCC[C@@H](CNC(=O)N2CCC(CCC#N)CC2)C1 ZINC000564899119 377495094 /nfs/dbraw/zinc/49/50/94/377495094.db2.gz QVLKWAGFNHIONN-HNNXBMFYSA-N 0 3 292.427 2.054 20 30 CEEDHN C=CCN(C)CCN(CC)CC(=O)N(C)c1ccccc1 ZINC000429722774 377519485 /nfs/dbraw/zinc/51/94/85/377519485.db2.gz LYKLCJKQOMWPAK-UHFFFAOYSA-N 0 3 289.423 2.089 20 30 CEEDHN C[C@H]1CN(C)CC[C@H]1N(C)c1nccc(C#N)c1Cl ZINC000429189369 377512181 /nfs/dbraw/zinc/51/21/81/377512181.db2.gz CBTGKBFFHAJTRD-CMPLNLGQSA-N 0 3 278.787 2.383 20 30 CEEDHN C#CCN(CC)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000265165003 190162868 /nfs/dbraw/zinc/16/28/68/190162868.db2.gz NLHSRPCWMXUMNI-QGZVFWFLSA-N 0 3 299.418 2.316 20 30 CEEDHN CCCN(Cc1ccc(C#N)cc1[N+](=O)[O-])CC(C)(C)O ZINC000565049253 377544762 /nfs/dbraw/zinc/54/47/62/377544762.db2.gz YKDAIAGHLSKGSA-UHFFFAOYSA-N 0 3 291.351 2.449 20 30 CEEDHN C[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)[C@H]1C ZINC000293409168 377555294 /nfs/dbraw/zinc/55/52/94/377555294.db2.gz MGQYATUFZRHVRF-RYUDHWBXSA-N 0 3 257.337 2.227 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000265248141 190169158 /nfs/dbraw/zinc/16/91/58/190169158.db2.gz VTYRZAPDNQEFLR-CYBMUJFWSA-N 0 3 288.351 2.244 20 30 CEEDHN N#Cc1ccc([C@H](N[C@H]2CC3CCC2CC3)C(N)=O)cc1 ZINC000431077351 377596084 /nfs/dbraw/zinc/59/60/84/377596084.db2.gz NXPANUFTIPSIGZ-FQWOSJGLSA-N 0 3 283.375 2.253 20 30 CEEDHN N#CCCC1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000565772976 377696244 /nfs/dbraw/zinc/69/62/44/377696244.db2.gz JFFVRKJWTWEXLY-UHFFFAOYSA-N 0 3 296.374 2.210 20 30 CEEDHN C=CCOc1ccccc1CNC[C@@H]1CCCC(=O)N1 ZINC000433191077 377781912 /nfs/dbraw/zinc/78/19/12/377781912.db2.gz UBVBRTPDQZKUBI-AWEZNQCLSA-N 0 3 274.364 2.010 20 30 CEEDHN CC(C)[C@H]1CN(C)CCN1CC#Cc1ccc(F)cc1 ZINC000436481590 377824290 /nfs/dbraw/zinc/82/42/90/377824290.db2.gz CQPLNVSMKPVVNY-QGZVFWFLSA-N 0 3 274.383 2.449 20 30 CEEDHN CC[C@@H](NCC(=O)NC(C)C)c1ccc(C#N)cc1 ZINC000278240301 193878685 /nfs/dbraw/zinc/87/86/85/193878685.db2.gz LEXNKFOPGDNDCZ-CQSZACIVSA-N 0 3 259.353 2.124 20 30 CEEDHN CCCN(CC#N)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000433304768 377786441 /nfs/dbraw/zinc/78/64/41/377786441.db2.gz LIQRZSDWRSOAQH-HNNXBMFYSA-N 0 3 273.380 2.442 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCCn1cccc1 ZINC000433380945 377792312 /nfs/dbraw/zinc/79/23/12/377792312.db2.gz GOHPTVVVXNBDMP-INIZCTEOSA-N 0 3 281.359 2.377 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H]1CCCC[C@@H]1OC ZINC000441247269 377934524 /nfs/dbraw/zinc/93/45/24/377934524.db2.gz QYZUMFDBPDFQIR-ILXRZTDVSA-N 0 3 282.428 2.347 20 30 CEEDHN COCCN(Cc1ccc(C#N)cc1)CC1(C)COC1 ZINC000441480335 377946240 /nfs/dbraw/zinc/94/62/40/377946240.db2.gz JYQIZCCNZCDRAL-UHFFFAOYSA-N 0 3 274.364 2.043 20 30 CEEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)c(OC)c2)C[C@H]1C ZINC000442889466 378014884 /nfs/dbraw/zinc/01/48/84/378014884.db2.gz KKIVEDDHIPKVMK-KGLIPLIRSA-N 0 3 287.407 2.481 20 30 CEEDHN C=CCN1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000266004989 190222373 /nfs/dbraw/zinc/22/23/73/190222373.db2.gz POUBJAICMCCVLP-UHFFFAOYSA-N 0 3 260.337 2.229 20 30 CEEDHN C[C@@H](N(C)Cc1cc(C#N)ccc1F)C(C)(C)O ZINC000295231708 378062594 /nfs/dbraw/zinc/06/25/94/378062594.db2.gz WZPRLOAPDFRJFZ-SNVBAGLBSA-N 0 3 250.317 2.289 20 30 CEEDHN COCCOC[C@@H](C)NCc1ccc(C#N)c(C)c1 ZINC000443988584 378073911 /nfs/dbraw/zinc/07/39/11/378073911.db2.gz LQWWCBJPBFSVMB-CYBMUJFWSA-N 0 3 262.353 2.008 20 30 CEEDHN C=CCCCN[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000447798215 378137392 /nfs/dbraw/zinc/13/73/92/378137392.db2.gz TXTUWWVUROAVHS-CYBMUJFWSA-N 0 3 279.384 2.458 20 30 CEEDHN C=CCOc1ccc(CN[C@@H]2COC[C@H]2OCC)cc1 ZINC000449716573 378224098 /nfs/dbraw/zinc/22/40/98/378224098.db2.gz LKTZSTHTLPSPCO-HZPDHXFCSA-N 0 3 277.364 2.145 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1nc2ccccc2[nH]1 ZINC000449548761 378216346 /nfs/dbraw/zinc/21/63/46/378216346.db2.gz QMWODUCIJHOUGC-KGLIPLIRSA-N 0 3 257.337 2.386 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1c(CC)nn(C)c1CC ZINC000449546683 378216667 /nfs/dbraw/zinc/21/66/67/378216667.db2.gz DDQPHTUGCOOOKM-ZBFHGGJFSA-N 0 3 277.412 2.368 20 30 CEEDHN C=CCCCNC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000447950461 378162682 /nfs/dbraw/zinc/16/26/82/378162682.db2.gz AGZSNRJSLAUFCT-KBPBESRZSA-N 0 3 267.417 2.372 20 30 CEEDHN CC[C@@H](CCO)NC(=O)C(C#N)CCc1ccccc1 ZINC000450196083 378319534 /nfs/dbraw/zinc/31/95/34/378319534.db2.gz WSVNIUWUQADOSG-CABCVRRESA-N 0 3 274.364 2.036 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@@H]1C[C@H](OCC)C12CCC2 ZINC000296336146 378495909 /nfs/dbraw/zinc/49/59/09/378495909.db2.gz RADGPOIZYMBOKR-CABCVRRESA-N 0 3 292.423 2.124 20 30 CEEDHN C[C@H](O)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000450652775 378520305 /nfs/dbraw/zinc/52/03/05/378520305.db2.gz PFMQNVPWDJSKQO-ZDUSSCGKSA-N 0 3 256.349 2.418 20 30 CEEDHN COCCN1CCC(Nc2ccc(F)cc2C#N)CC1 ZINC000266129749 190232999 /nfs/dbraw/zinc/23/29/99/190232999.db2.gz QTTJQBDSYXPJAE-UHFFFAOYSA-N 0 3 277.343 2.220 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2CCC[C@H](C3CC3)C2)cc1 ZINC000289473160 197364177 /nfs/dbraw/zinc/36/41/77/197364177.db2.gz RCLFDPSTXXOKGY-KRWDZBQOSA-N 0 3 297.402 2.296 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451664075 378723981 /nfs/dbraw/zinc/72/39/81/378723981.db2.gz NLZDXZVVKFLIMP-QLFBSQMISA-N 0 3 287.407 2.006 20 30 CEEDHN C[C@](O)(CNCc1cccc(C#N)c1)c1ccco1 ZINC000266187429 190238541 /nfs/dbraw/zinc/23/85/41/190238541.db2.gz XENYPLQZCNJHJK-HNNXBMFYSA-N 0 3 256.305 2.149 20 30 CEEDHN COC1([C@H](C)NCc2ccc(C#N)cc2F)CCOCC1 ZINC000453089677 378798673 /nfs/dbraw/zinc/79/86/73/378798673.db2.gz BKXGILWFYKUNPO-LBPRGKRZSA-N 0 3 292.354 2.371 20 30 CEEDHN Cc1nnc(NC[C@@H](C)N2CCC[C@@H](C)C2)c(C#N)c1C ZINC000298694113 378802394 /nfs/dbraw/zinc/80/23/94/378802394.db2.gz BSSINCKKDURYSJ-VXGBXAGGSA-N 0 3 287.411 2.497 20 30 CEEDHN C[C@@H](Cc1cnccn1)NCc1ccc(C#N)c(F)c1 ZINC000453391228 378883110 /nfs/dbraw/zinc/88/31/10/378883110.db2.gz SUAWEMXZHOMYJL-NSHDSACASA-N 0 3 270.311 2.208 20 30 CEEDHN COc1ccc(CN[C@@H](CO)C(C)(C)C)cc1C#N ZINC000278541621 194034959 /nfs/dbraw/zinc/03/49/59/194034959.db2.gz AGJMJOZZEUJWBW-AWEZNQCLSA-N 0 3 262.353 2.063 20 30 CEEDHN CC[C@H](NCCC(=O)N(C)C)c1ccc(C#N)cc1 ZINC000278675711 194097428 /nfs/dbraw/zinc/09/74/28/194097428.db2.gz JNXHHSSPVYPXCR-AWEZNQCLSA-N 0 3 259.353 2.077 20 30 CEEDHN N#CCC[C@H](C#N)CNC[C@@H](CO)C1CCCCC1 ZINC000514790043 379151571 /nfs/dbraw/zinc/15/15/71/379151571.db2.gz HZOUTZFLQBLKDP-HIFRSBDPSA-N 0 3 263.385 2.208 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1cn(-c2ccccc2C)nn1 ZINC000515233398 379198088 /nfs/dbraw/zinc/19/80/88/379198088.db2.gz IJZDPDTVKKYODH-YOEHRIQHSA-N 0 3 298.390 2.256 20 30 CEEDHN C=CCN1CCC(Nc2nnnn2-c2ccc(C)cc2)CC1 ZINC000266432829 190257605 /nfs/dbraw/zinc/25/76/05/190257605.db2.gz UMTUMPMSBZVSMJ-UHFFFAOYSA-N 0 3 298.394 2.033 20 30 CEEDHN C[C@@H]1CC[C@H](C)N(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000266527993 190264456 /nfs/dbraw/zinc/26/44/56/190264456.db2.gz FESOESUMEBWVHB-KGLIPLIRSA-N 0 3 285.391 2.295 20 30 CEEDHN C[C@H](C#N)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000520600294 379493324 /nfs/dbraw/zinc/49/33/24/379493324.db2.gz OHAQZGRUBGOWII-CYBMUJFWSA-N 0 3 294.358 2.043 20 30 CEEDHN CC(C#N)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000520600294 379493329 /nfs/dbraw/zinc/49/33/29/379493329.db2.gz OHAQZGRUBGOWII-CYBMUJFWSA-N 0 3 294.358 2.043 20 30 CEEDHN C=CCOc1ccccc1CNC[C@]1(O)CCSC1 ZINC000304670413 379590927 /nfs/dbraw/zinc/59/09/27/379590927.db2.gz XMKGKPNEBTZARW-OAHLLOKOSA-N 0 3 279.405 2.209 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C#N)c(F)c1 ZINC000456823828 379562392 /nfs/dbraw/zinc/56/23/92/379562392.db2.gz ADVPKKULKCZBEM-RYUDHWBXSA-N 0 3 289.354 2.186 20 30 CEEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(O)c(OC)c1 ZINC000305094989 379633983 /nfs/dbraw/zinc/63/39/83/379633983.db2.gz RQQUSQONWQVOLL-CYBMUJFWSA-N 0 3 265.353 2.160 20 30 CEEDHN C=CCC[C@@H](N[C@H]1CCC(=O)N(C)C1)c1ccco1 ZINC000279000327 194246921 /nfs/dbraw/zinc/24/69/21/194246921.db2.gz RESIXSDFEPSVRI-QWHCGFSZSA-N 0 3 262.353 2.497 20 30 CEEDHN Cc1cc(NC(=O)C(C)C(F)(F)F)n(CCC#N)n1 ZINC000524681208 379626965 /nfs/dbraw/zinc/62/69/65/379626965.db2.gz XTOGPTOHDJPLMS-QMMMGPOBSA-N 0 3 274.246 2.242 20 30 CEEDHN C#CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000267512196 190335389 /nfs/dbraw/zinc/33/53/89/190335389.db2.gz MFYCMOXZTHGNPF-RDJZCZTQSA-N 0 3 299.418 2.362 20 30 CEEDHN C[C@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)[C@H]1C ZINC000528398739 379957951 /nfs/dbraw/zinc/95/79/51/379957951.db2.gz VGWMDGHQTFWWFY-KBPBESRZSA-N 0 3 296.370 2.016 20 30 CEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)N(C)CC(C)(C)C#N ZINC000457932386 379962032 /nfs/dbraw/zinc/96/20/32/379962032.db2.gz LYZYHFUNKHZZRA-UONOGXRCSA-N 0 3 294.443 2.298 20 30 CEEDHN CCC(C#N)(CC)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000528526597 380009263 /nfs/dbraw/zinc/00/92/63/380009263.db2.gz HOZVLVPCYPTSPI-CYBMUJFWSA-N 0 3 263.385 2.011 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000268158178 190381554 /nfs/dbraw/zinc/38/15/54/190381554.db2.gz OBQXBLHMILXQAU-MEBBXXQBSA-N 0 3 286.335 2.361 20 30 CEEDHN CC(C)N(CCC#N)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000530817469 380204563 /nfs/dbraw/zinc/20/45/63/380204563.db2.gz ZAKWWJAMIYIODV-BETUJISGSA-N 0 3 251.374 2.010 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000529715465 380184767 /nfs/dbraw/zinc/18/47/67/380184767.db2.gz HTRPHMLHYDANLD-ZBFHGGJFSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CCc1cc(CN2CCC[C@]2(C)CO)cc(OC)c1O ZINC000530547772 380202143 /nfs/dbraw/zinc/20/21/43/380202143.db2.gz CFONSHUWRWHZJV-QGZVFWFLSA-N 0 3 291.391 2.476 20 30 CEEDHN C=CCN(CCCN1CCCC1=O)CCc1ccco1 ZINC000540915194 380260728 /nfs/dbraw/zinc/26/07/28/380260728.db2.gz MNPMTVKUWSOAEW-UHFFFAOYSA-N 0 3 276.380 2.323 20 30 CEEDHN C[C@@H]1C[C@H](Nc2ccc3cc(C#N)ccc3n2)CCN1C ZINC000536767750 380233610 /nfs/dbraw/zinc/23/36/10/380233610.db2.gz VQPNIQHODXQUFG-IUODEOHRSA-N 0 3 280.375 2.423 20 30 CEEDHN C#C[C@@H](C)N(C)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000491165370 380285556 /nfs/dbraw/zinc/28/55/56/380285556.db2.gz KOJQYEJFASCGCX-SJLPKXTDSA-N 0 3 286.419 2.231 20 30 CEEDHN Cc1ccc(OC[C@@H](O)CN2CCC(CC#N)CC2)cc1 ZINC000541949574 380291108 /nfs/dbraw/zinc/29/11/08/380291108.db2.gz XAXITAZHTXGSCM-INIZCTEOSA-N 0 3 288.391 2.360 20 30 CEEDHN CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1CCCN(C)C1 ZINC000544399521 380350677 /nfs/dbraw/zinc/35/06/77/380350677.db2.gz OJEDGPBTBKJTGQ-CYBMUJFWSA-N 0 3 291.782 2.378 20 30 CEEDHN C[C@@H]1C[C@H](C)N1CCC(=O)Nc1cccc(C#N)c1 ZINC000548426801 380516779 /nfs/dbraw/zinc/51/67/79/380516779.db2.gz KTILVNFOFRBRDX-TXEJJXNPSA-N 0 3 257.337 2.370 20 30 CEEDHN CC[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)N(C)C ZINC000268738027 190427498 /nfs/dbraw/zinc/42/74/98/190427498.db2.gz OORBAHAFRNIGBI-BXUZGUMPSA-N 0 3 259.353 2.076 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1[C@H](C)C[C@H]1C ZINC000547768940 380467549 /nfs/dbraw/zinc/46/75/49/380467549.db2.gz WDJJXIAWZOJJRT-VXGBXAGGSA-N 0 3 260.337 2.428 20 30 CEEDHN CCCN(CCN1CCCC1)C(=O)Cc1cccc(C#N)c1 ZINC000553387866 380736768 /nfs/dbraw/zinc/73/67/68/380736768.db2.gz MIWKVHSYMRSKIG-UHFFFAOYSA-N 0 3 299.418 2.435 20 30 CEEDHN N#Cc1cccc(NC(=O)CNC2(C3CC3)CC2)c1 ZINC000554857230 380797439 /nfs/dbraw/zinc/79/74/39/380797439.db2.gz PCWFRWYGCSBBSO-UHFFFAOYSA-N 0 3 255.321 2.029 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C/C2CCCC2)CC1 ZINC000493634117 381101393 /nfs/dbraw/zinc/10/13/93/381101393.db2.gz YLHAIKHCEMFHQV-BQYQJAHWSA-N 0 3 262.397 2.499 20 30 CEEDHN C#CCCN1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000494160189 381153491 /nfs/dbraw/zinc/15/34/91/381153491.db2.gz RXEWJALNRVAHFG-ZDUSSCGKSA-N 0 3 266.385 2.341 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000494382533 381156240 /nfs/dbraw/zinc/15/62/40/381156240.db2.gz RWFIZUPGFQVPFO-IJLUTSLNSA-N 0 3 295.383 2.002 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000494256301 381157163 /nfs/dbraw/zinc/15/71/63/381157163.db2.gz IHGWDBAOXHQXKD-CAOSSQGBSA-N 0 3 294.439 2.204 20 30 CEEDHN C=CCC[C@H](O)CN1CCCC[C@@H]1COC(=O)NC(C)C ZINC000495687796 381181418 /nfs/dbraw/zinc/18/14/18/381181418.db2.gz LWJXOCBYGCLYMP-CABCVRRESA-N 0 3 298.427 2.303 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000496658830 381223136 /nfs/dbraw/zinc/22/31/36/381223136.db2.gz AYHPZXLKWWYXBR-CYBMUJFWSA-N 0 3 252.358 2.306 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(N3CCOC3=O)c2)C1 ZINC000496873122 381231221 /nfs/dbraw/zinc/23/12/21/381231221.db2.gz GWBFTRQKPBWQSR-TZMCWYRMSA-N 0 3 285.347 2.425 20 30 CEEDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NCCC#N)C1 ZINC000497007596 381236614 /nfs/dbraw/zinc/23/66/14/381236614.db2.gz JMHNLIIJCKSQNM-VXGBXAGGSA-N 0 3 267.373 2.183 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N2C[C@@H](C)NC[C@@H]2C)c1 ZINC000334856254 207193539 /nfs/dbraw/zinc/19/35/39/207193539.db2.gz NDVWXSFSRLNAAN-NEPJUHHUSA-N 0 3 272.352 2.081 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1C[C@H]1C)C(C)C ZINC000046049328 542345424 /nfs/dbraw/zinc/34/54/24/542345424.db2.gz HDVMGNXTOURKAW-KFWWJZLASA-N 0 3 264.413 2.457 20 30 CEEDHN C[C@@H]1CN(Cc2cc(C#N)ccc2F)[C@@H](C)CN1C ZINC000335328389 208199522 /nfs/dbraw/zinc/19/95/22/208199522.db2.gz LJKKJZYHDIRZAS-NEPJUHHUSA-N 0 3 261.344 2.222 20 30 CEEDHN COCCOCCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000288743903 197156817 /nfs/dbraw/zinc/15/68/17/197156817.db2.gz FYXUXPXUGXANNE-CYBMUJFWSA-N 0 3 262.353 2.214 20 30 CEEDHN N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)nc1 ZINC000292820587 128323567 /nfs/dbraw/zinc/32/35/67/128323567.db2.gz PWRSMXPVEUULOF-HNNXBMFYSA-N 0 3 295.342 2.312 20 30 CEEDHN N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3[O-])C2)nc1 ZINC000292820587 128323571 /nfs/dbraw/zinc/32/35/71/128323571.db2.gz PWRSMXPVEUULOF-HNNXBMFYSA-N 0 3 295.342 2.312 20 30 CEEDHN C[C@@H](NC(=O)NCC(C)(C)CCC#N)C1=CCN(C)CC1 ZINC000355098448 533150730 /nfs/dbraw/zinc/15/07/30/533150730.db2.gz JGRIURKGSYFEGT-CYBMUJFWSA-N 0 3 292.427 2.266 20 30 CEEDHN C=CCCOCC[NH2+]Cc1cccc(OCC)c1[O-] ZINC000120852978 262238455 /nfs/dbraw/zinc/23/84/55/262238455.db2.gz WJPKJRAHSFSGFQ-UHFFFAOYSA-N 0 3 265.353 2.473 20 30 CEEDHN C[C@@H](C(=O)N1CCC(C#N)CC1)N1[C@H](C)CC[C@@H]1C ZINC000171285790 335062527 /nfs/dbraw/zinc/06/25/27/335062527.db2.gz AKTZEJDAPYVCDZ-XQQFMLRXSA-N 0 3 263.385 2.010 20 30 CEEDHN CO[C@H]1CCN(CCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000281650550 195322071 /nfs/dbraw/zinc/32/20/71/195322071.db2.gz JUHFOFBDFOETLH-HIFRSBDPSA-N 0 3 274.364 2.436 20 30 CEEDHN CO[C@@H](C)CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000191137928 130187971 /nfs/dbraw/zinc/18/79/71/130187971.db2.gz MLPRIQSYOUFLSR-LBPRGKRZSA-N 0 3 284.363 2.083 20 30 CEEDHN CO[C@@]1(C)C[C@H](NCc2cc(C#N)n(C)c2)C1(C)C ZINC000191257546 130209933 /nfs/dbraw/zinc/20/99/33/130209933.db2.gz PYDPDIPKGZZXQI-ZFWWWQNUSA-N 0 3 261.369 2.190 20 30 CEEDHN C[C@H]1CC(O)C[C@H](C)N1CCOc1ccccc1C#N ZINC000191287993 130216599 /nfs/dbraw/zinc/21/65/99/130216599.db2.gz ZNMMIMKWWXCROX-STQMWFEESA-N 0 3 274.364 2.171 20 30 CEEDHN C(#Cc1ccccc1)CN1CCN(CC2CCOCC2)CC1 ZINC000192031733 130355610 /nfs/dbraw/zinc/35/56/10/130355610.db2.gz NSSDRTZAVHHQBK-UHFFFAOYSA-N 0 3 298.430 2.082 20 30 CEEDHN CC[C@@H](C)CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000088499041 135055269 /nfs/dbraw/zinc/05/52/69/135055269.db2.gz BXJWBCBQEXHXSF-CYBMUJFWSA-N 0 3 258.369 2.121 20 30 CEEDHN C=CCSCC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000224798831 394467518 /nfs/dbraw/zinc/46/75/18/394467518.db2.gz UTDOBEKDROOTDJ-UHFFFAOYSA-N 0 3 253.367 2.410 20 30 CEEDHN CCN1CCC(N(C)c2ncc(C#N)cc2F)CC1 ZINC000413038221 394470911 /nfs/dbraw/zinc/47/09/11/394470911.db2.gz GPGAADBYXJKOIF-UHFFFAOYSA-N 0 3 262.332 2.013 20 30 CEEDHN C=CCNC(=O)CNCCc1ccc(C(C)C)cc1 ZINC000232728616 394481621 /nfs/dbraw/zinc/48/16/21/394481621.db2.gz ZJCOGOXCWJFLHQ-UHFFFAOYSA-N 0 3 260.381 2.244 20 30 CEEDHN C=CCCC1(C(=O)NCCN(CC)C2CC2)CC1 ZINC000355635924 394483378 /nfs/dbraw/zinc/48/33/78/394483378.db2.gz OQAVMPXBZYBTAH-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN CCN1CC[C@@H](N(C)c2ncc(C#N)cc2F)C[C@H]1C ZINC000413152918 394493106 /nfs/dbraw/zinc/49/31/06/394493106.db2.gz JHYJTJXYERABNG-DGCLKSJQSA-N 0 3 276.359 2.401 20 30 CEEDHN C[C@H]1CN(CCCNc2ncc(C#N)cc2F)CCCO1 ZINC000413269157 394515763 /nfs/dbraw/zinc/51/57/63/394515763.db2.gz RYNXMZNGASLFME-LBPRGKRZSA-N 0 3 292.358 2.005 20 30 CEEDHN C[C@@H]1CCC[C@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000355687390 394502743 /nfs/dbraw/zinc/50/27/43/394502743.db2.gz XFBDYCWNZRDFJT-UGFHNGPFSA-N 0 3 271.364 2.110 20 30 CEEDHN C[C@@H]1CCC[C@@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000355687382 394502959 /nfs/dbraw/zinc/50/29/59/394502959.db2.gz XFBDYCWNZRDFJT-DFBGVHRSSA-N 0 3 271.364 2.110 20 30 CEEDHN N#Cc1csc(CN2CC[C@H](N3CCCCC3)C2)n1 ZINC000356209049 394562639 /nfs/dbraw/zinc/56/26/39/394562639.db2.gz BLQSQTWPEXDTNJ-ZDUSSCGKSA-N 0 3 276.409 2.075 20 30 CEEDHN CN(C)C[C@@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 ZINC000356216099 394563885 /nfs/dbraw/zinc/56/38/85/394563885.db2.gz JOFZXVCKHDVSKF-INIZCTEOSA-N 0 3 285.391 2.043 20 30 CEEDHN C[C@H](NC(=O)NCCOC1CCCC1)C1=CCN(C)CC1 ZINC000329505592 394567607 /nfs/dbraw/zinc/56/76/07/394567607.db2.gz LIONSDDYJCBSBZ-ZDUSSCGKSA-N 0 3 295.427 2.100 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000421714531 394574517 /nfs/dbraw/zinc/57/45/17/394574517.db2.gz VRMMIBHOBKGHIK-INIZCTEOSA-N 0 3 297.402 2.142 20 30 CEEDHN C=CCCC1(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000356369968 394576263 /nfs/dbraw/zinc/57/62/63/394576263.db2.gz ZBLZKMLTYCRJIH-CHWSQXEVSA-N 0 3 262.397 2.474 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)CCN1C ZINC000329817268 394587554 /nfs/dbraw/zinc/58/75/54/394587554.db2.gz WOWHAPCXTKGPCX-IJLUTSLNSA-N 0 3 276.384 2.269 20 30 CEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ncc(C#N)cc1F ZINC000413286438 394518840 /nfs/dbraw/zinc/51/88/40/394518840.db2.gz YXOUNEKRYOQVFN-YPMHNXCESA-N 0 3 274.343 2.155 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1cc2ccccc2n1 ZINC000329854799 394590528 /nfs/dbraw/zinc/59/05/28/394590528.db2.gz WTZPNSZZAQXERM-MLGOLLRUSA-N 0 3 298.390 2.476 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CCc2nc[nH]c2C1)N1[C@H](C)CC[C@@H]1C ZINC000328916685 394555997 /nfs/dbraw/zinc/55/59/97/394555997.db2.gz APEBJQPDALROOJ-YVECIDJPSA-N 0 3 290.411 2.485 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CCc2[nH]cnc2C1)N1[C@H](C)CC[C@@H]1C ZINC000328916685 394556002 /nfs/dbraw/zinc/55/60/02/394556002.db2.gz APEBJQPDALROOJ-YVECIDJPSA-N 0 3 290.411 2.485 20 30 CEEDHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2csc(=O)[n-]2)C1 ZINC000329931945 394595909 /nfs/dbraw/zinc/59/59/09/394595909.db2.gz BJPFXEBUDNSHHV-RKDXNWHRSA-N 0 3 269.370 2.026 20 30 CEEDHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2csc(=O)[n-]2)C1 ZINC000329931944 394596376 /nfs/dbraw/zinc/59/63/76/394596376.db2.gz BJPFXEBUDNSHHV-DTWKUNHWSA-N 0 3 269.370 2.026 20 30 CEEDHN CN1CCC[C@H]1CNC(=O)Nc1ccnn1C(C)(C)C ZINC000330098979 394599026 /nfs/dbraw/zinc/59/90/26/394599026.db2.gz CNWHAHFPALVQQT-NSHDSACASA-N 0 3 279.388 2.058 20 30 CEEDHN CCCCN1CCCC[C@H]1CNC(=O)c1cnc[nH]1 ZINC000330432568 394609311 /nfs/dbraw/zinc/60/93/11/394609311.db2.gz JTFOBAIYBUOMQA-LBPRGKRZSA-N 0 3 264.373 2.369 20 30 CEEDHN CCn1nncc1C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000330449443 394611583 /nfs/dbraw/zinc/61/15/83/394611583.db2.gz HNZQNZXLWYHUHY-LBPRGKRZSA-N 0 3 293.415 2.113 20 30 CEEDHN CC1(O)CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000330463069 394613012 /nfs/dbraw/zinc/61/30/12/394613012.db2.gz SXADFIBJKKPPKU-OAHLLOKOSA-N 0 3 286.375 2.132 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1ncoc1CC ZINC000330660249 394624614 /nfs/dbraw/zinc/62/46/14/394624614.db2.gz BJXZAVQQISCDCT-NSHDSACASA-N 0 3 265.357 2.416 20 30 CEEDHN CC(C)N1CCCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000332008422 394635466 /nfs/dbraw/zinc/63/54/66/394635466.db2.gz PIXAIFMKSNMDSL-UHFFFAOYSA-N 0 3 280.416 2.052 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000358971681 394735557 /nfs/dbraw/zinc/73/55/57/394735557.db2.gz FKBWQZQSOXHHIK-NWDGAFQWSA-N 0 3 253.390 2.123 20 30 CEEDHN CC(C#N)C(=O)NCC(C)(C)Oc1cc(F)cc(F)c1 ZINC000359092464 394740959 /nfs/dbraw/zinc/74/09/59/394740959.db2.gz GLFGMPFMVSODMQ-VIFPVBQESA-N 0 3 282.290 2.398 20 30 CEEDHN CCCCN(C)CCNC(=O)/C=C/c1cccc(C#N)c1 ZINC000112308834 394743687 /nfs/dbraw/zinc/74/36/87/394743687.db2.gz LGTLKONLXDWCFB-CMDGGOBGSA-N 0 3 285.391 2.420 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc2c1OC(F)(F)O2 ZINC000414473415 394745114 /nfs/dbraw/zinc/74/51/14/394745114.db2.gz VPCZARAFTHDPNK-MNOVXSKESA-N 0 3 283.274 2.441 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000268168733 394689824 /nfs/dbraw/zinc/68/98/24/394689824.db2.gz QGTWEPGKVJIATR-HZMBPMFUSA-N 0 3 286.335 2.361 20 30 CEEDHN Cc1nccn1CCCON=C(N)CCC(C)C ZINC000271239966 394752735 /nfs/dbraw/zinc/75/27/35/394752735.db2.gz YCZXSAXMUWTHBJ-UHFFFAOYSA-N 0 3 252.362 2.307 20 30 CEEDHN COCCCOCCN(C)Cc1ccc(OCC#N)cc1 ZINC000271640660 394759101 /nfs/dbraw/zinc/75/91/01/394759101.db2.gz ZTLZOKKQJDBZPO-UHFFFAOYSA-N 0 3 292.379 2.074 20 30 CEEDHN Cc1cc(C(C#N)C(=O)NC2CCCCC2)nc(C)n1 ZINC000271599684 394759169 /nfs/dbraw/zinc/75/91/69/394759169.db2.gz HRPGYDAPHATMBY-CYBMUJFWSA-N 0 3 272.352 2.150 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359563021 394761785 /nfs/dbraw/zinc/76/17/85/394761785.db2.gz SBMIDVNXSCSFHF-YDHLFZDLSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C(C)CNCc1ccccc1OCC(=O)N1CCCC1 ZINC000119641154 394770248 /nfs/dbraw/zinc/77/02/48/394770248.db2.gz FHNNORIDJSNVOB-UHFFFAOYSA-N 0 3 288.391 2.354 20 30 CEEDHN C=C(C)CN(CC)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000120107496 394775059 /nfs/dbraw/zinc/77/50/59/394775059.db2.gz QXIMLRHEWREMJO-CYBMUJFWSA-N 0 3 295.427 2.431 20 30 CEEDHN CN(C(=O)[C@]1(C#N)CC12CCCC2)[C@H]1CCN(C2CC2)C1 ZINC000335651290 394785735 /nfs/dbraw/zinc/78/57/35/394785735.db2.gz TVMSQJCWQBDGKN-WMLDXEAASA-N 0 3 287.407 2.156 20 30 CEEDHN CCc1ccc([C@@H]2CN(C(=O)C(C)C#N)CCO2)cc1 ZINC000335753601 394796724 /nfs/dbraw/zinc/79/67/24/394796724.db2.gz JOGGMMKBWNDLOQ-WFASDCNBSA-N 0 3 272.348 2.309 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC2(C)C)CC1 ZINC000122036846 394808201 /nfs/dbraw/zinc/80/82/01/394808201.db2.gz LTICOZOGIWAANR-CYBMUJFWSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCOc1ccc(CN(C)CCCO)cc1OC ZINC000281872201 394866599 /nfs/dbraw/zinc/86/65/99/394866599.db2.gz WJBRFJVZZGEMQN-UHFFFAOYSA-N 0 3 265.353 2.074 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(CC#N)cc3)C[C@@H]21 ZINC000362011554 394841365 /nfs/dbraw/zinc/84/13/65/394841365.db2.gz RQXNPIVTCRJSNS-HOCLYGCPSA-N 0 3 298.390 2.311 20 30 CEEDHN CCO[C@@H]1COCC[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000362026932 394841854 /nfs/dbraw/zinc/84/18/54/394841854.db2.gz NQWQXUXEADBDMH-JKSUJKDBSA-N 0 3 293.794 2.475 20 30 CEEDHN CC(C#N)C(=O)NCc1cc(F)ccc1Br ZINC000336346678 394845631 /nfs/dbraw/zinc/84/56/31/394845631.db2.gz PCCGSAPVEVMMBI-ZETCQYMHSA-N 0 3 285.116 2.364 20 30 CEEDHN CCS[C@H](C)c1noc(CN(C)C(=O)C(C)C#N)n1 ZINC000362189794 394848792 /nfs/dbraw/zinc/84/87/92/394848792.db2.gz YTTUGVBHJUJLTN-RKDXNWHRSA-N 0 3 282.369 2.002 20 30 CEEDHN CC(C#N)C(=O)N1CCOC2(C1)CCCCCC2 ZINC000336523050 394862241 /nfs/dbraw/zinc/86/22/41/394862241.db2.gz LWPZLPUFPBIACU-GFCCVEGCSA-N 0 3 250.342 2.098 20 30 CEEDHN C#C[C@H](NC(=O)c1ccccc1OCCN(C)C)C(C)C ZINC000282034677 394899758 /nfs/dbraw/zinc/89/97/58/394899758.db2.gz LQLZVRXCUHIELR-HNNXBMFYSA-N 0 3 288.391 2.015 20 30 CEEDHN O[C@@]1(C2CC2)CCN(CC#Cc2ccc(F)cc2)C1 ZINC000366917915 394954080 /nfs/dbraw/zinc/95/40/80/394954080.db2.gz RPJBLBVSLVNQGS-INIZCTEOSA-N 0 3 259.324 2.024 20 30 CEEDHN C#CCOc1ccc([C@@H](C)NCC2([S@@](C)=O)CC2)cc1 ZINC000282411584 394918794 /nfs/dbraw/zinc/91/87/94/394918794.db2.gz SEIRHMHERQXQAI-ZUOKHONESA-N 0 3 291.416 2.260 20 30 CEEDHN CCNC(=O)[C@@H](NCc1ccc(CC#N)cc1)C(C)C ZINC000339331551 394955631 /nfs/dbraw/zinc/95/56/31/394955631.db2.gz GCTLIBPDBONNQI-HNNXBMFYSA-N 0 3 273.380 2.003 20 30 CEEDHN N#CCCOCCN(CCc1ccccc1)[C@H]1CCOC1 ZINC000339015438 394936439 /nfs/dbraw/zinc/93/64/39/394936439.db2.gz QLZTWIHKRZRNJG-KRWDZBQOSA-N 0 3 288.391 2.250 20 30 CEEDHN C=CCOCCN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000339012056 394936648 /nfs/dbraw/zinc/93/66/48/394936648.db2.gz HLZJWUOOHASEAG-INIZCTEOSA-N 0 3 283.412 2.239 20 30 CEEDHN C#CCCN[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000284889706 394951036 /nfs/dbraw/zinc/95/10/36/394951036.db2.gz WHRIOXCSZWXJJN-GFCCVEGCSA-N 0 3 265.378 2.154 20 30 CEEDHN C=CCOc1ccc(CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC000285926979 394986588 /nfs/dbraw/zinc/98/65/88/394986588.db2.gz LXVHBSXUJOJGHO-INIZCTEOSA-N 0 3 290.407 2.454 20 30 CEEDHN CN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CCCN(C)C1 ZINC000153655094 395013011 /nfs/dbraw/zinc/01/30/11/395013011.db2.gz GISZEXCBSUAFED-INIZCTEOSA-N 0 3 285.391 2.043 20 30 CEEDHN C=C(Br)CN1C[C@H](N2CCCC2)C[C@@H]1C ZINC000367573115 394965274 /nfs/dbraw/zinc/96/52/74/394965274.db2.gz QWMHAWPNCKCJQB-NWDGAFQWSA-N 0 3 273.218 2.454 20 30 CEEDHN C#CCCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000288167002 395055052 /nfs/dbraw/zinc/05/50/52/395055052.db2.gz OXHBYICYRCIBRZ-HIFRSBDPSA-N 0 3 273.380 2.000 20 30 CEEDHN CC#CCCCC(=O)N1CCCN(CCC)CC1 ZINC000373354190 395059503 /nfs/dbraw/zinc/05/95/03/395059503.db2.gz NEQZKARQSQJYOS-UHFFFAOYSA-N 0 3 250.386 2.124 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCN1CCO[C@H](C)C1 ZINC000425529880 395061366 /nfs/dbraw/zinc/06/13/66/395061366.db2.gz CWSMJPJPTJPLHJ-CABCVRRESA-N 0 3 287.407 2.272 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)N(C)C ZINC000425540444 395061644 /nfs/dbraw/zinc/06/16/44/395061644.db2.gz VIIJKYHSOHTPBC-LBPRGKRZSA-N 0 3 259.353 2.029 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000289168538 395071733 /nfs/dbraw/zinc/07/17/33/395071733.db2.gz FDBMEEUDULMDHZ-KRWDZBQOSA-N 0 3 280.375 2.172 20 30 CEEDHN COC(=O)[C@@H](C)CN(CCC(C)(C)C#N)C1CC1 ZINC000345724236 395074440 /nfs/dbraw/zinc/07/44/40/395074440.db2.gz GYZIJOCVFFNDRX-NSHDSACASA-N 0 3 252.358 2.200 20 30 CEEDHN CC(C)(C#N)CCN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000345731928 395074566 /nfs/dbraw/zinc/07/45/66/395074566.db2.gz IUAQZFAROQWJRG-NXEZZACHSA-N 0 3 264.291 2.314 20 30 CEEDHN C=CCOc1cccc(CN[C@@H]2CCC[C@@H]2C(=O)NC)c1 ZINC000345836574 395079792 /nfs/dbraw/zinc/07/97/92/395079792.db2.gz DDGJPCVOOVGJQZ-JKSUJKDBSA-N 0 3 288.391 2.256 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCC(C)(C)O2)CC1 ZINC000345994667 395084372 /nfs/dbraw/zinc/08/43/72/395084372.db2.gz KICBCCKPPZEHMQ-CQSZACIVSA-N 0 3 280.412 2.101 20 30 CEEDHN C=C[C@@H](CO)N[C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000289719368 395084729 /nfs/dbraw/zinc/08/47/29/395084729.db2.gz JNRXNXBYKFIYMX-PWSUYJOCSA-N 0 3 282.771 2.194 20 30 CEEDHN C[C@H](CNC(=O)C1(C#N)CCC1)N1CCCC[C@H]1C ZINC000345997590 395084867 /nfs/dbraw/zinc/08/48/67/395084867.db2.gz VNQWIIIQRMGIMS-CHWSQXEVSA-N 0 3 263.385 2.059 20 30 CEEDHN C#CCCCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289747435 395085580 /nfs/dbraw/zinc/08/55/80/395085580.db2.gz IXOVTEASTRTSDN-GJZGRUSLSA-N 0 3 285.343 2.211 20 30 CEEDHN C#CCCCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289747442 395085629 /nfs/dbraw/zinc/08/56/29/395085629.db2.gz IXOVTEASTRTSDN-LSDHHAIUSA-N 0 3 285.343 2.211 20 30 CEEDHN C#CCOCCC(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000166917156 395087356 /nfs/dbraw/zinc/08/73/56/395087356.db2.gz ZDMVRYFSRFWIAQ-INIZCTEOSA-N 0 3 298.386 2.038 20 30 CEEDHN CC(C#N)C(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000346123440 395087844 /nfs/dbraw/zinc/08/78/44/395087844.db2.gz SRWANOMWSMZRPN-FRRDWIJNSA-N 0 3 290.388 2.173 20 30 CEEDHN Cc1cnn([C@H]2CCN(CCOc3cccc(C#N)c3)C2)c1 ZINC000289838037 395089215 /nfs/dbraw/zinc/08/92/15/395089215.db2.gz JZYMDKVKOUUGQW-INIZCTEOSA-N 0 3 296.374 2.389 20 30 CEEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)C2(C#N)CCCC2)C[C@@H](C)C1 ZINC000346231199 395092154 /nfs/dbraw/zinc/09/21/54/395092154.db2.gz NOPWMZKWJLGNPH-KKUMJFAQSA-N 0 3 289.423 2.259 20 30 CEEDHN CC[C@@]1(C)CCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346315279 395094597 /nfs/dbraw/zinc/09/45/97/395094597.db2.gz YJKCASNDSZQSJF-HIFRSBDPSA-N 0 3 277.412 2.449 20 30 CEEDHN C#Cc1ccc(CNC[C@](C)(O)C(F)(F)F)cc1 ZINC000290295587 395098517 /nfs/dbraw/zinc/09/85/17/395098517.db2.gz HIVMZTCEQWQZTD-LBPRGKRZSA-N 0 3 257.255 2.071 20 30 CEEDHN CC[C@@H](C#N)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416212120 395032816 /nfs/dbraw/zinc/03/28/16/395032816.db2.gz YBYUTBFIQMLNNW-UONOGXRCSA-N 0 3 259.353 2.098 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)NCCN1CCCC(C)(C)C1 ZINC000347430027 395123670 /nfs/dbraw/zinc/12/36/70/395123670.db2.gz MGFKGWAIWXGDOM-KRWDZBQOSA-N 0 3 296.455 2.453 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000427597593 395123856 /nfs/dbraw/zinc/12/38/56/395123856.db2.gz WEAGQUVFTAZGBD-YUELXQCFSA-N 0 3 272.348 2.400 20 30 CEEDHN C#Cc1ccc(CN[C@@H]2C[C@H](OCC)[C@]23CCCO3)cc1 ZINC000290537074 395107361 /nfs/dbraw/zinc/10/73/61/395107361.db2.gz YNNLBBHYBVKLBS-SQNIBIBYSA-N 0 3 285.387 2.484 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000428038638 395133954 /nfs/dbraw/zinc/13/39/54/395133954.db2.gz OPBCITVTHUYBOP-MJBXVCDLSA-N 0 3 250.386 2.426 20 30 CEEDHN CN(CCNC(=O)c1cscc1C#N)Cc1ccccc1 ZINC000432391874 395170457 /nfs/dbraw/zinc/17/04/57/395170457.db2.gz OGOCGJFLCFAZRE-UHFFFAOYSA-N 0 3 299.399 2.482 20 30 CEEDHN C[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000182000512 395229663 /nfs/dbraw/zinc/22/96/63/395229663.db2.gz LPYBTLAKUNMURA-OCCSQVGLSA-N 0 3 299.374 2.003 20 30 CEEDHN C[C@@H]1CCCN1C(=O)CCN(C)Cc1cccc(C#N)c1 ZINC000438840644 395230794 /nfs/dbraw/zinc/23/07/94/395230794.db2.gz NRGHLLHZSJCHLK-CQSZACIVSA-N 0 3 285.391 2.391 20 30 CEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCCCC#N ZINC000351813874 395233650 /nfs/dbraw/zinc/23/36/50/395233650.db2.gz WSIDPROTLREHSH-ZDUSSCGKSA-N 0 3 280.416 2.052 20 30 CEEDHN Cc1ccccc1[C@@H]([C@@H](C)Nc1ccnc(C#N)n1)N(C)C ZINC000516785826 395183938 /nfs/dbraw/zinc/18/39/38/395183938.db2.gz XLYAESLXHGWILR-CXAGYDPISA-N 0 3 295.390 2.182 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000292737720 395203306 /nfs/dbraw/zinc/20/33/06/395203306.db2.gz GZECXUACPZKTFG-QGZVFWFLSA-N 0 3 288.366 2.396 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CC2(C)C)CC1 ZINC000352417444 395251740 /nfs/dbraw/zinc/25/17/40/395251740.db2.gz PIPNHBSSZAPFRC-CYBMUJFWSA-N 0 3 279.428 2.372 20 30 CEEDHN CCc1nc(C#N)cc(NC[C@H]2CCN2C2CCCCC2)n1 ZINC000528117230 395285683 /nfs/dbraw/zinc/28/56/83/395285683.db2.gz LJJWTWKSCUBSOK-OAHLLOKOSA-N 0 3 299.422 2.151 20 30 CEEDHN N#Cc1nc(NC[C@@H]2CCN2C2CCCC2)ccc1Cl ZINC000528206838 395287693 /nfs/dbraw/zinc/28/76/93/395287693.db2.gz FSFDRCTYQLTFAJ-LBPRGKRZSA-N 0 3 290.798 2.457 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC(Cn2cncn2)CC1 ZINC000186252486 395289155 /nfs/dbraw/zinc/28/91/55/395289155.db2.gz UYQJBMHWWHQXRZ-UHFFFAOYSA-N 0 3 295.390 2.370 20 30 CEEDHN CC[C@H]1CN(C(=O)C(C)C#N)CCN1Cc1ccccc1 ZINC000354202302 395320978 /nfs/dbraw/zinc/32/09/78/395320978.db2.gz FVRSZDPHUHVJAD-HOCLYGCPSA-N 0 3 285.391 2.269 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2C(N)=O)c(Cl)c1 ZINC000439430596 395265524 /nfs/dbraw/zinc/26/55/24/395265524.db2.gz MKHSWNRXTSBFNB-TZMCWYRMSA-N 0 3 291.782 2.345 20 30 CEEDHN CCCN(CCN1CCCC1)C(=O)NCCCCC#N ZINC000352903981 395275809 /nfs/dbraw/zinc/27/58/09/395275809.db2.gz QGVXHUKUBBMLFZ-UHFFFAOYSA-N 0 3 280.416 2.198 20 30 CEEDHN CCc1ccc([C@@H](CNc2cc(C#N)ncn2)N(C)C)cc1 ZINC000527129837 395277113 /nfs/dbraw/zinc/27/71/13/395277113.db2.gz DPIGJCBWQXNJNE-MRXNPFEDSA-N 0 3 295.390 2.047 20 30 CEEDHN COc1cc(CN[C@@H](C)Cc2cnccn2)ccc1C#N ZINC000440798164 395359006 /nfs/dbraw/zinc/35/90/06/395359006.db2.gz GKIVBKWWIKHPQX-LBPRGKRZSA-N 0 3 282.347 2.078 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000355234727 395377431 /nfs/dbraw/zinc/37/74/31/395377431.db2.gz HYNRDVTZDQSJOS-DZGCQCFKSA-N 0 3 263.385 2.059 20 30 CEEDHN Cc1ccc(C(=O)NCCN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000442719472 395392403 /nfs/dbraw/zinc/39/24/03/395392403.db2.gz PYOZRLSSVQWLAC-ZFWWWQNUSA-N 0 3 271.364 2.007 20 30 CEEDHN C[C@@H]1CCC[C@](C#N)(NC(=O)C2CCN(C3CC3)CC2)C1 ZINC000192785738 395392646 /nfs/dbraw/zinc/39/26/46/395392646.db2.gz STTITCZIJPHRBX-DYVFJYSZSA-N 0 3 289.423 2.449 20 30 CEEDHN CCOC(=O)c1coc(CNCCCCC#N)c1 ZINC000354346513 395328828 /nfs/dbraw/zinc/32/88/28/395328828.db2.gz HZNWJBBYVHIFSB-UHFFFAOYSA-N 0 3 250.298 2.240 20 30 CEEDHN COC(=O)C[C@@]1(NCCC2(C#N)CCCCC2)CCOC1 ZINC000411545176 395330618 /nfs/dbraw/zinc/33/06/18/395330618.db2.gz PREUJJRTOZYIFW-INIZCTEOSA-N 0 3 294.395 2.162 20 30 CEEDHN C=C[C@@](C)(O)CC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000354432142 395331310 /nfs/dbraw/zinc/33/13/10/395331310.db2.gz NLCBAHGZYINILF-VMBOVVBDSA-N 0 3 294.439 2.036 20 30 CEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000411638526 395333567 /nfs/dbraw/zinc/33/35/67/395333567.db2.gz HLOPBQJKEJZLLU-MRXNPFEDSA-N 0 3 297.487 2.460 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000411633753 395334113 /nfs/dbraw/zinc/33/41/13/395334113.db2.gz JTAUOCJQCGYWHP-VWYCJHECSA-N 0 3 264.291 2.314 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1csc(COC)n1 ZINC000411642856 395334463 /nfs/dbraw/zinc/33/44/63/395334463.db2.gz NSIMNPVQLBZSRU-UHFFFAOYSA-N 0 3 283.441 2.229 20 30 CEEDHN C[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)N1CCCC1 ZINC000533404533 395462038 /nfs/dbraw/zinc/46/20/38/395462038.db2.gz SZAWUJXLWYLKDI-CQSZACIVSA-N 0 3 297.402 2.190 20 30 CEEDHN Cc1cc(CNCCNc2ccccn2)ccc1C#N ZINC000443986775 395409313 /nfs/dbraw/zinc/40/93/13/395409313.db2.gz WLKROUNXPCLZHD-UHFFFAOYSA-N 0 3 266.348 2.463 20 30 CEEDHN C=CCOCCCC(=O)N(CCN(C)C)C1CCCC1 ZINC000355347187 395417292 /nfs/dbraw/zinc/41/72/92/395417292.db2.gz TUDRXIIRWBNABN-UHFFFAOYSA-N 0 3 282.428 2.302 20 30 CEEDHN C[C@@H]1[C@@H](C)CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000566245738 395507592 /nfs/dbraw/zinc/50/75/92/395507592.db2.gz RCYADTCZGUVJKA-NWDGAFQWSA-N 0 3 269.352 2.221 20 30 CEEDHN C[C@@H](CNC[C@H](C#N)CCC#N)N1CCc2ccccc2C1 ZINC000567771868 395535678 /nfs/dbraw/zinc/53/56/78/395535678.db2.gz NTIRGPWSIMBBFS-HOTGVXAUSA-N 0 3 296.418 2.466 20 30 CEEDHN C=CCN(CC=C)[C@H](CNCc1cnccn1)C(C)C ZINC000573333185 395606040 /nfs/dbraw/zinc/60/60/40/395606040.db2.gz LBBFQKIRNRVXLG-MRXNPFEDSA-N 0 3 274.412 2.265 20 30 CEEDHN C=C1CCN(C(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000568150251 395550011 /nfs/dbraw/zinc/55/00/11/395550011.db2.gz AIBYNEVGXWPUKP-AWEZNQCLSA-N 0 3 262.328 2.047 20 30 CEEDHN C=CCOCCN1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000568506591 395563072 /nfs/dbraw/zinc/56/30/72/395563072.db2.gz DARLDSJLTDGEMR-KGLIPLIRSA-N 0 3 283.412 2.489 20 30 CEEDHN CC1(C)CN(CC(=O)NC2(C#N)CCC2)[C@H]2CCC[C@H]21 ZINC000568870961 395570806 /nfs/dbraw/zinc/57/08/06/395570806.db2.gz RMEGVCNAXQHLAQ-OLZOCXBDSA-N 0 3 275.396 2.059 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N(C)CCN2CCCC2)c1 ZINC000455997455 395632549 /nfs/dbraw/zinc/63/25/49/395632549.db2.gz JGLPKMXEJOSFDS-UHFFFAOYSA-N 0 3 286.379 2.426 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCC(=O)N[C@@H]1C1CC1)CC2 ZINC000574847954 395638608 /nfs/dbraw/zinc/63/86/08/395638608.db2.gz NFLYIYCFYOOQKM-SOLBZPMBSA-N 0 3 295.386 2.192 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)NCC(C)(C)CC#N ZINC000458444042 395649412 /nfs/dbraw/zinc/64/94/12/395649412.db2.gz VLWOUYDARSPZRS-CQSZACIVSA-N 0 3 294.443 2.490 20 30 CEEDHN N#Cc1ccc(OCCN2CC3(CCC3)[C@@H]3COC[C@@H]32)cc1 ZINC000459743037 395666708 /nfs/dbraw/zinc/66/67/08/395666708.db2.gz ZFNLELVKWNLOTK-SJORKVTESA-N 0 3 298.386 2.438 20 30 CEEDHN CC(C)[C@@H]1CN(Cc2cc(C#N)ccc2F)CCN1C ZINC000488000822 395667882 /nfs/dbraw/zinc/66/78/82/395667882.db2.gz RISQDMCTJAELNJ-INIZCTEOSA-N 0 3 275.371 2.469 20 30 CEEDHN CCN1C[C@@H](C)N(c2ccc(C#N)c(C)n2)C[C@H]1C ZINC000488107986 395668186 /nfs/dbraw/zinc/66/81/86/395668186.db2.gz RNQLYZJOSVJBTB-VXGBXAGGSA-N 0 3 258.369 2.181 20 30 CEEDHN C#CCNC(=O)C1CCN(Cc2sccc2C)CC1 ZINC000491405315 395669353 /nfs/dbraw/zinc/66/93/53/395669353.db2.gz IDVUQIGPAXJAJR-UHFFFAOYSA-N 0 3 276.405 2.018 20 30 CEEDHN C#C[C@H](NC(=O)N(C)[C@H](C)C1CCN(C)CC1)C(C)C ZINC000491738337 395670577 /nfs/dbraw/zinc/67/05/77/395670577.db2.gz WQFUEXSJOQQLDC-HIFRSBDPSA-N 0 3 279.428 2.016 20 30 CEEDHN C#CCN(C)CCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000491741082 395670636 /nfs/dbraw/zinc/67/06/36/395670636.db2.gz VKKXXNURSRWYFV-ZDUSSCGKSA-N 0 3 273.355 2.303 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000492184929 395670953 /nfs/dbraw/zinc/67/09/53/395670953.db2.gz PEDLJOZBALVQSE-KTKRTIGZSA-N 0 3 285.391 2.370 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000493062443 395671291 /nfs/dbraw/zinc/67/12/91/395671291.db2.gz ZPPLUIQQEPHUHQ-SCOAYWHSSA-N 0 3 283.375 2.124 20 30 CEEDHN C=C(C)[C@H](CO)N(CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000649283974 396112946 /nfs/dbraw/zinc/11/29/46/396112946.db2.gz CSBQRXPZQDUPCZ-INIZCTEOSA-N 0 3 290.407 2.147 20 30 CEEDHN CCC#C[C@H](C)N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000649774297 396256452 /nfs/dbraw/zinc/25/64/52/396256452.db2.gz JZLDINDGUWCKFC-UONOGXRCSA-N 0 3 264.413 2.402 20 30 CEEDHN CCC#C[C@@H](C)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000649774296 396256563 /nfs/dbraw/zinc/25/65/63/396256563.db2.gz JZLDINDGUWCKFC-KGLIPLIRSA-N 0 3 264.413 2.402 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(c2ccc(OC)cn2)CC1 ZINC000649651202 396221423 /nfs/dbraw/zinc/22/14/23/396221423.db2.gz AWGMVDHJPPPQMD-INIZCTEOSA-N 0 3 276.380 2.207 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)CN(C)C(C)C ZINC000063341018 400241518 /nfs/dbraw/zinc/24/15/18/400241518.db2.gz SADYGBKXFHUJSA-UHFFFAOYSA-N 0 3 285.391 2.413 20 30 CEEDHN C=CC[C@H](CO)CNCc1cc(F)c(OC)cc1OC ZINC000651747499 401383153 /nfs/dbraw/zinc/38/31/53/401383153.db2.gz GFJDDKBZRYSCBH-NSHDSACASA-N 0 3 283.343 2.117 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@@H](CO)C[C@@H]1C ZINC000344188467 154276742 /nfs/dbraw/zinc/27/67/42/154276742.db2.gz WFFICUAMQIJMFW-GXTWGEPZSA-N 0 3 274.364 2.160 20 30 CEEDHN C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1)c1cccc(C#N)c1 ZINC000376177305 157194215 /nfs/dbraw/zinc/19/42/15/157194215.db2.gz GSNBOVQRNPPAEG-BBRMVZONSA-N 0 3 295.390 2.221 20 30 CEEDHN Cc1cc(C#N)nc(NC2CC(N3CCCCC3)C2)n1 ZINC000376390181 157215487 /nfs/dbraw/zinc/21/54/87/157215487.db2.gz AHCFRHFEKSQGIB-UHFFFAOYSA-N 0 3 271.368 2.086 20 30 CEEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C1CC1 ZINC000178493123 165243778 /nfs/dbraw/zinc/24/37/78/165243778.db2.gz HKKIQVHZMLXZKY-CQSZACIVSA-N 0 3 299.418 2.495 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N1CCCN(C)CC1 ZINC000181632240 165354246 /nfs/dbraw/zinc/35/42/46/165354246.db2.gz INAPXAZLXOIRHX-UHFFFAOYSA-N 0 3 272.352 2.036 20 30 CEEDHN CCC[C@@H](C)[C@H](CO)NCc1cc(C#N)ccc1OC ZINC000565047386 298872588 /nfs/dbraw/zinc/87/25/88/298872588.db2.gz HLNRYNRUJYSLJK-DOMZBBRYSA-N 0 3 276.380 2.454 20 30 CEEDHN C[C@H](CNC(=O)c1cc(C#N)ccc1Cl)N(C)C1CC1 ZINC000285208658 196221380 /nfs/dbraw/zinc/22/13/80/196221380.db2.gz DMRXCGLFSISCDY-SNVBAGLBSA-N 0 3 291.782 2.424 20 30 CEEDHN C[C@H]1CCSCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000285701244 196371283 /nfs/dbraw/zinc/37/12/83/196371283.db2.gz CRAHCTMUBNWCDB-SWLSCSKDSA-N 0 3 276.405 2.419 20 30 CEEDHN C[C@@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)[C@@H]1C ZINC000357712481 533679965 /nfs/dbraw/zinc/67/99/65/533679965.db2.gz BRKUWICYDFDMSH-ZIAGYGMSSA-N 0 3 285.391 2.295 20 30 CEEDHN C=CCn1c(N)nnc1SC[C@@H]1CCCCN1C(C)C ZINC000665686231 414756977 /nfs/dbraw/zinc/75/69/77/414756977.db2.gz UTEMBTZHZIGVEN-LBPRGKRZSA-N 0 3 295.456 2.401 20 30 CEEDHN C=CCN(C(=O)[C@H](C)[C@@H](N)c1ccccc1)[C@@H](C)COC ZINC000662855062 414774624 /nfs/dbraw/zinc/77/46/24/414774624.db2.gz QFKWTPFSHPFZTN-SQWLQELKSA-N 0 3 290.407 2.372 20 30 CEEDHN CCC#C[C@@H](C)N[C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000660525772 414859462 /nfs/dbraw/zinc/85/94/62/414859462.db2.gz OTUUITVQQTULHU-VWYCJHECSA-N 0 3 251.292 2.326 20 30 CEEDHN C=CC[C@@H](CO)NCc1cncc(Br)c1C ZINC000657435532 414936978 /nfs/dbraw/zinc/93/69/78/414936978.db2.gz PTDNUXYAVZDZNY-NSHDSACASA-N 0 3 285.185 2.179 20 30 CEEDHN C=CCCn1cc(CNCCN2CCCC(C)(C)C2)nn1 ZINC000657450229 414943987 /nfs/dbraw/zinc/94/39/87/414943987.db2.gz NTBNOXYZQDUPLH-UHFFFAOYSA-N 0 3 291.443 2.066 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(C(F)(F)F)nn1C ZINC000657495061 414974515 /nfs/dbraw/zinc/97/45/15/414974515.db2.gz FVAOMKDNLKEZIB-ONGXEEELSA-N 0 3 289.301 2.120 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000660847240 415004568 /nfs/dbraw/zinc/00/45/68/415004568.db2.gz OHMLXAWEKVWWHT-CABCVRRESA-N 0 3 279.428 2.326 20 30 CEEDHN C=C(C)COc1cc(CNC/C=C\CO)ccc1OC ZINC000657593860 415016590 /nfs/dbraw/zinc/01/65/90/415016590.db2.gz WRXFNIZOXWGSHG-PLNGDYQASA-N 0 3 277.364 2.288 20 30 CEEDHN C=CCOCCN1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000653710721 415079603 /nfs/dbraw/zinc/07/96/03/415079603.db2.gz YBJGEHZSMLUQHK-CQSZACIVSA-N 0 3 263.385 2.048 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000660890480 415023585 /nfs/dbraw/zinc/02/35/85/415023585.db2.gz VUGNOVMRYSSWOO-HNKHHVNMSA-N 0 3 289.423 2.362 20 30 CEEDHN CC(C#N)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000044809552 175257529 /nfs/dbraw/zinc/25/75/29/175257529.db2.gz XQOCUXBWSOUPAO-MRVPVSSYSA-N 0 3 256.227 2.481 20 30 CEEDHN N#Cc1ccc(NC(=O)NCCN2CCCCC2)cc1 ZINC000045208560 175329014 /nfs/dbraw/zinc/32/90/14/175329014.db2.gz CZXQORVKCPHNMA-UHFFFAOYSA-N 0 3 272.352 2.166 20 30 CEEDHN C=CC[C@@H]1CCCN([C@H]2CCN(C(C)C)C2=O)C1 ZINC000661379452 415232943 /nfs/dbraw/zinc/23/29/43/415232943.db2.gz BYTRVYPDBGPZPO-KGLIPLIRSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCOCCCN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000658207076 415257365 /nfs/dbraw/zinc/25/73/65/415257365.db2.gz SDANFOFIZZKTLK-ZDUSSCGKSA-N 0 3 263.385 2.463 20 30 CEEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)NCC(C)C)C1 ZINC000661378666 415231318 /nfs/dbraw/zinc/23/13/18/415231318.db2.gz JZQGQRWKLCXCEN-KGLIPLIRSA-N 0 3 252.402 2.435 20 30 CEEDHN C=CC[C@H]1CCCN(CC(=O)N(C)CC2CC2)C1 ZINC000661381306 415232125 /nfs/dbraw/zinc/23/21/25/415232125.db2.gz ZXAREFJWDIORFY-ZDUSSCGKSA-N 0 3 250.386 2.143 20 30 CEEDHN C=C(C)CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659045386 415395883 /nfs/dbraw/zinc/39/58/83/415395883.db2.gz VXJMEPMMGQLNMH-HNNXBMFYSA-N 0 3 289.379 2.435 20 30 CEEDHN C=CCC1(NCc2nnnn2CCCC)CCCC1 ZINC000661851515 415497869 /nfs/dbraw/zinc/49/78/69/415497869.db2.gz UIKIFHCSULOORH-UHFFFAOYSA-N 0 3 263.389 2.452 20 30 CEEDHN C=C(C)CN(C)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000661901772 415526406 /nfs/dbraw/zinc/52/64/06/415526406.db2.gz MPLAUJCETVBUNG-AWEZNQCLSA-N 0 3 267.417 2.324 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@@H](C)C(C)C ZINC000662077277 415613184 /nfs/dbraw/zinc/61/31/84/415613184.db2.gz AACSLLKJQWGAHX-MELADBBJSA-N 0 3 250.386 2.330 20 30 CEEDHN C=C(C)CNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000656111922 415598339 /nfs/dbraw/zinc/59/83/39/415598339.db2.gz CSZYJPZIASOFFD-UHFFFAOYSA-N 0 3 253.390 2.078 20 30 CEEDHN C=C(C)CN1CCC(Nc2ncnc(C)c2OC)CC1 ZINC000656121694 415600313 /nfs/dbraw/zinc/60/03/13/415600313.db2.gz SHMOGWCIROLTAH-UHFFFAOYSA-N 0 3 276.384 2.246 20 30 CEEDHN C=CCNC(=O)[C@H](C)N(C)C[C@H]1CCc2ccccc21 ZINC000662199841 415680480 /nfs/dbraw/zinc/68/04/80/415680480.db2.gz ATGOIMBBUKHLKM-DZGCQCFKSA-N 0 3 272.392 2.339 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665368391 415714862 /nfs/dbraw/zinc/71/48/62/415714862.db2.gz PKLXKRFTSOXZTR-ZDUSSCGKSA-N 0 3 265.401 2.243 20 30 CEEDHN C[C@@H](CNc1ncccc1C#N)N1CCC[C@H](C)C1 ZINC000071954246 176304231 /nfs/dbraw/zinc/30/42/31/176304231.db2.gz LRJPSOHTJORHCT-STQMWFEESA-N 0 3 258.369 2.486 20 30 CEEDHN C=CC[C@@H]1CCCN(Cc2nc(C(C)(C)N)no2)C1 ZINC000662299273 415763383 /nfs/dbraw/zinc/76/33/83/415763383.db2.gz NBNICVHRROILHS-LLVKDONJSA-N 0 3 264.373 2.052 20 30 CEEDHN CC[C@@H]1CCCCN1CC(=O)N(CC)CCC#N ZINC000076425651 177023957 /nfs/dbraw/zinc/02/39/57/177023957.db2.gz ZMFFWLGDOSYQHX-CYBMUJFWSA-N 0 3 251.374 2.013 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](C)C2CCCCC2)CC1 ZINC000076503207 177030389 /nfs/dbraw/zinc/03/03/89/177030389.db2.gz NIEKCUUDWRLWHT-AWEZNQCLSA-N 0 3 276.424 2.417 20 30 CEEDHN C=CCCCN(C)CC(=O)NCc1ccccc1COC ZINC000076737655 177076975 /nfs/dbraw/zinc/07/69/75/177076975.db2.gz UYZPGSXRNFUWOY-UHFFFAOYSA-N 0 3 290.407 2.347 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@@H]3CCCC[C@H]3C2)CC1 ZINC000078331680 177333145 /nfs/dbraw/zinc/33/31/45/177333145.db2.gz GLVAKRNABSLJIQ-GJZGRUSLSA-N 0 3 291.439 2.468 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1nc2ccccc2n1C ZINC000334587794 225021859 /nfs/dbraw/zinc/02/18/59/225021859.db2.gz IGZQIOAAJNKYNJ-BXUZGUMPSA-N 0 3 282.347 2.396 20 30 CEEDHN CSCC[C@](C)(C#N)NC(=O)C1CCN(C2CC2)CC1 ZINC000344672471 225139529 /nfs/dbraw/zinc/13/95/29/225139529.db2.gz MZJPGTKRTOMWLB-OAHLLOKOSA-N 0 3 295.452 2.012 20 30 CEEDHN COc1ccc(Br)cc1CNC(=O)C(C)C#N ZINC000347030973 226020766 /nfs/dbraw/zinc/02/07/66/226020766.db2.gz CXAFCWPQFYRFKC-QMMMGPOBSA-N 0 3 297.152 2.234 20 30 CEEDHN COCCN(C(=O)C(C)C#N)[C@@H](C)c1ccccc1 ZINC000347035014 226023171 /nfs/dbraw/zinc/02/31/71/226023171.db2.gz JVXVFVBPPVVUOU-STQMWFEESA-N 0 3 260.337 2.382 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000171741326 335076946 /nfs/dbraw/zinc/07/69/46/335076946.db2.gz QKRDYWFQVHHRFW-KBPBESRZSA-N 0 3 279.428 2.324 20 30 CEEDHN N#CC(C(=O)c1ccc2c(c1)OCCCO2)c1ccncn1 ZINC000354461971 227000506 /nfs/dbraw/zinc/00/05/06/227000506.db2.gz GVAUHVKUACGXEL-LBPRGKRZSA-N 0 3 295.298 2.128 20 30 CEEDHN CC(C#N)C(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000336558615 227115948 /nfs/dbraw/zinc/11/59/48/227115948.db2.gz JIZMNNGLHNWQRK-GFCCVEGCSA-N 0 3 270.332 2.268 20 30 CEEDHN N#C[C@@H]1CCC[C@@H]1NC1CCN(c2nccs2)CC1 ZINC000331918493 228139146 /nfs/dbraw/zinc/13/91/46/228139146.db2.gz LNHPDIPGEYHQNY-AAEUAGOBSA-N 0 3 276.409 2.394 20 30 CEEDHN C=CCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000665947817 419486995 /nfs/dbraw/zinc/48/69/95/419486995.db2.gz ZQFNAKDRIBBOOH-UHFFFAOYSA-N 0 3 291.395 2.462 20 30 CEEDHN CC[C@@H](C(=O)N(CCC#N)CC(C)(C)C)N(C)C ZINC000413371843 262762370 /nfs/dbraw/zinc/76/23/70/262762370.db2.gz FGOLNOJLQCBWOO-LBPRGKRZSA-N 0 3 253.390 2.115 20 30 CEEDHN CN1CCCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000297984884 260140694 /nfs/dbraw/zinc/14/06/94/260140694.db2.gz WLTCXPMQAGNVNW-UHFFFAOYSA-N 0 3 262.784 2.329 20 30 CEEDHN CC#CCN(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000298187848 260147463 /nfs/dbraw/zinc/14/74/63/260147463.db2.gz DSDYMCLNDWAGJS-DOTOQJQBSA-N 0 3 299.418 2.172 20 30 CEEDHN C=CCOc1cccc(NC(=O)NC[C@@H](C)N(C)C)c1 ZINC000299160086 260173260 /nfs/dbraw/zinc/17/32/60/260173260.db2.gz DVOOEWHAJDPDMX-GFCCVEGCSA-N 0 3 277.368 2.323 20 30 CEEDHN C#CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000299220175 260174767 /nfs/dbraw/zinc/17/47/67/260174767.db2.gz KCSJVGRFPAQPCV-HNNXBMFYSA-N 0 3 259.349 2.397 20 30 CEEDHN C#CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000299220175 260174769 /nfs/dbraw/zinc/17/47/69/260174769.db2.gz KCSJVGRFPAQPCV-HNNXBMFYSA-N 0 3 259.349 2.397 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](CC)OC)C(C)C ZINC000299352424 260183426 /nfs/dbraw/zinc/18/34/26/260183426.db2.gz WADCWZPKYNYOBS-LSDHHAIUSA-N 0 3 282.428 2.226 20 30 CEEDHN C=CCCCNC(=O)N1CCCN(C(C)C)CC1 ZINC000448247489 261060852 /nfs/dbraw/zinc/06/08/52/261060852.db2.gz FENYBAOKYLCSTH-UHFFFAOYSA-N 0 3 253.390 2.078 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CC[C@H]2CC[C@H](C)O2)CC1 ZINC000173161138 261157792 /nfs/dbraw/zinc/15/77/92/261157792.db2.gz QGKIVPDDQLGSEZ-GOEBONIOSA-N 0 3 294.439 2.491 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@H](c1cccnc1)C1CCCCC1 ZINC000363644827 261322003 /nfs/dbraw/zinc/32/20/03/261322003.db2.gz KHEKQUZVFBWEIZ-PBHICJAKSA-N 0 3 299.418 2.431 20 30 CEEDHN C#C[C@H](C)N(C)Cc1ccc(-n2cncn2)c(C)c1 ZINC000491253398 261390723 /nfs/dbraw/zinc/39/07/23/261390723.db2.gz NMHNHEHLQGAHRM-ZDUSSCGKSA-N 0 3 254.337 2.029 20 30 CEEDHN C#C[C@@H](NC(=O)[C@@H](CC)N(C)C)c1ccc(Cl)cc1 ZINC000491275007 261396578 /nfs/dbraw/zinc/39/65/78/261396578.db2.gz BWQPWKWTBPPRPW-ZIAGYGMSSA-N 0 3 278.783 2.471 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1Cc2ccccc2[C@H]1C ZINC000491404155 261544359 /nfs/dbraw/zinc/54/43/59/261544359.db2.gz AIXKLFWIYWTYTD-CQSZACIVSA-N 0 3 285.391 2.228 20 30 CEEDHN COC(=O)c1cc(CNCCCCC#N)oc1C ZINC000182195234 261928476 /nfs/dbraw/zinc/92/84/76/261928476.db2.gz SFKOEOJFOONJJZ-UHFFFAOYSA-N 0 3 250.298 2.158 20 30 CEEDHN CC[C@H](CC#N)N[C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000310114517 262094730 /nfs/dbraw/zinc/09/47/30/262094730.db2.gz BUVVRWQOXHCFAC-OPRDCNLKSA-N 0 3 250.264 2.378 20 30 CEEDHN C[C@H]1CCN(CC#Cc2ccc(Cl)cc2)[C@@H]1CO ZINC000190344526 262182341 /nfs/dbraw/zinc/18/23/41/262182341.db2.gz TWXZWPORNZSOEK-SWLSCSKDSA-N 0 3 263.768 2.394 20 30 CEEDHN C[C@@H]1CCNC(=O)[C@@H]1NCc1ccccc1C(C)(C)C#N ZINC000193637410 262225089 /nfs/dbraw/zinc/22/50/89/262225089.db2.gz HXLQRHOBQNOGAN-IUODEOHRSA-N 0 3 285.391 2.102 20 30 CEEDHN C=CCC[C@@H](O)CN1CC[C@@H](Oc2cccnc2C)C1 ZINC000365278589 262357891 /nfs/dbraw/zinc/35/78/91/262357891.db2.gz WTMJHRYDJVQHPF-HUUCEWRRSA-N 0 3 276.380 2.170 20 30 CEEDHN CC[C@H](CO)N1CCN(CCCCC(C)(C)C#N)CC1 ZINC000336827564 262398524 /nfs/dbraw/zinc/39/85/24/262398524.db2.gz AUTFGFNSTKSIFK-OAHLLOKOSA-N 0 3 281.444 2.095 20 30 CEEDHN C=CCN(CCCO[C@@H]1CCCCO1)CCOC ZINC000338356442 262527734 /nfs/dbraw/zinc/52/77/34/262527734.db2.gz KIWRUVDRUICUKK-CQSZACIVSA-N 0 3 257.374 2.054 20 30 CEEDHN CC(C)(C#N)CCN1CC[C@H](Oc2ccccn2)C1 ZINC000272066935 263001858 /nfs/dbraw/zinc/00/18/58/263001858.db2.gz YCGWXMKZJXPCDX-ZDUSSCGKSA-N 0 3 259.353 2.475 20 30 CEEDHN CN1CC[C@@H](NC(=O)NCCCC#N)[C@@H]1c1ccccc1 ZINC000273512880 263017740 /nfs/dbraw/zinc/01/77/40/263017740.db2.gz IWPGBYUGICJZFK-CABCVRRESA-N 0 3 286.379 2.035 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCCCC#N)C(C)C ZINC000273532695 263017878 /nfs/dbraw/zinc/01/78/78/263017878.db2.gz KQMZCBBTJKMTPX-OAHLLOKOSA-N 0 3 292.427 2.288 20 30 CEEDHN CC[C@@H]1CN(CCC#N)CCN1Cc1ccccc1 ZINC000273591292 263018194 /nfs/dbraw/zinc/01/81/94/263018194.db2.gz JDYXGFBACUEVQB-MRXNPFEDSA-N 0 3 257.381 2.496 20 30 CEEDHN N#CCCCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278715375 263050000 /nfs/dbraw/zinc/05/00/00/263050000.db2.gz SFHSWQHFQWECAX-UHFFFAOYSA-N 0 3 294.362 2.252 20 30 CEEDHN N#CCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279359589 263054971 /nfs/dbraw/zinc/05/49/71/263054971.db2.gz QWRULMZXAUFNMT-OAHLLOKOSA-N 0 3 280.331 2.051 20 30 CEEDHN CCN(CC1CC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280569383 263062899 /nfs/dbraw/zinc/06/28/99/263062899.db2.gz VLMLWTJRPJNVSP-INIZCTEOSA-N 0 3 281.359 2.499 20 30 CEEDHN C=CCN(C)CCN(CC)CCc1csc(C)n1 ZINC000340211674 263095038 /nfs/dbraw/zinc/09/50/38/263095038.db2.gz CKMLIUSXAVLMTI-UHFFFAOYSA-N 0 3 267.442 2.434 20 30 CEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc(CC#N)c1 ZINC000288487728 263104545 /nfs/dbraw/zinc/10/45/45/263104545.db2.gz RHRPYNOUSAHHKQ-RHSMWYFYSA-N 0 3 297.402 2.451 20 30 CEEDHN C=CCC(C)(C)C(=O)NCCCCN1CCN(CC)CC1 ZINC000340299482 263106860 /nfs/dbraw/zinc/10/68/60/263106860.db2.gz XCVOQSFRGWFYKB-UHFFFAOYSA-N 0 3 295.471 2.123 20 30 CEEDHN N#CCCCN1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289389100 263109839 /nfs/dbraw/zinc/10/98/39/263109839.db2.gz DHZKXIASLKLTIM-OAHLLOKOSA-N 0 3 255.365 2.427 20 30 CEEDHN CCN(C[C@@H](C)OC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000291178260 263120756 /nfs/dbraw/zinc/12/07/56/263120756.db2.gz FHQKPICXFKSLGH-CJNGLKHVSA-N 0 3 299.374 2.124 20 30 CEEDHN N#CCCCC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000291782738 263125480 /nfs/dbraw/zinc/12/54/80/263125480.db2.gz WZVRKGBUSQYLDM-INIZCTEOSA-N 0 3 285.391 2.461 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)CCCC#N)CCN1Cc1ccccc1 ZINC000292431632 263132163 /nfs/dbraw/zinc/13/21/63/263132163.db2.gz USEYVKDNMCSMNL-HOCLYGCPSA-N 0 3 285.391 2.459 20 30 CEEDHN CCc1ccc([C@@H](C#N)NC(=O)C2CCN(C)CC2)cc1 ZINC000293378325 263139608 /nfs/dbraw/zinc/13/96/08/263139608.db2.gz LIVXAROKOWKROQ-MRXNPFEDSA-N 0 3 285.391 2.272 20 30 CEEDHN Cn1nccc1C1=CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000293694166 263147024 /nfs/dbraw/zinc/14/70/24/263147024.db2.gz WNECTUOOVIWCOY-TZMCWYRMSA-N 0 3 256.353 2.201 20 30 CEEDHN C[C@@H](NCCOCCC#N)c1ccc([S@@](C)=O)cc1 ZINC000294483057 263162769 /nfs/dbraw/zinc/16/27/69/263162769.db2.gz HIBPVZSWHGHOCJ-CWTRNNRKSA-N 0 3 280.393 2.005 20 30 CEEDHN N#C[C@H](c1ccccc1)N1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000298077103 263214694 /nfs/dbraw/zinc/21/46/94/263214694.db2.gz IBKBUGSNMCQCKC-RCCFBDPRSA-N 0 3 299.418 2.172 20 30 CEEDHN N#CCC[C@@H](C#N)CN1CCN(C2CCCCC2)CC1 ZINC000163925604 263263630 /nfs/dbraw/zinc/26/36/30/263263630.db2.gz QQETXKLTXQFUGJ-HNNXBMFYSA-N 0 3 274.412 2.380 20 30 CEEDHN C=CCC[C@@H](O)CN[C@H](CC(=O)N(C)C)c1ccccc1 ZINC000341446589 263336013 /nfs/dbraw/zinc/33/60/13/263336013.db2.gz ANXGNVMYXTZQJG-HZPDHXFCSA-N 0 3 290.407 2.123 20 30 CEEDHN N#CCSCCCN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000342102401 263387650 /nfs/dbraw/zinc/38/76/50/263387650.db2.gz UKUAAVJTHLSKJG-NXEZZACHSA-N 0 3 282.331 2.021 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000342190570 263397904 /nfs/dbraw/zinc/39/79/04/263397904.db2.gz REQHEWZCJLKGTF-JSGCOSHPSA-N 0 3 265.401 2.077 20 30 CEEDHN CCOC(=O)CC1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000330429212 263938049 /nfs/dbraw/zinc/93/80/49/263938049.db2.gz LSHUGMVXYBJASK-KBPBESRZSA-N 0 3 264.369 2.344 20 30 CEEDHN CCc1nnc(C)cc1C(=O)N[C@@H]1CCCN(CC)C1 ZINC000330805590 264043479 /nfs/dbraw/zinc/04/34/79/264043479.db2.gz GVINSANZDQSXFW-GFCCVEGCSA-N 0 3 276.384 2.136 20 30 CEEDHN CCN1CCC[C@H](NC(=O)NCC[C@@H]2CCO[C@@H](C)C2)C1 ZINC000330856264 264054792 /nfs/dbraw/zinc/05/47/92/264054792.db2.gz TWFGTTXVMRNIRH-ZNMIVQPWSA-N 0 3 297.443 2.180 20 30 CEEDHN COC(=O)c1cccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000330899519 264079260 /nfs/dbraw/zinc/07/92/60/264079260.db2.gz JIAMGSFXTYYLCS-BXUZGUMPSA-N 0 3 290.363 2.261 20 30 CEEDHN CC(C)N1CCN(c2cccc(NC(=O)CC#N)c2)CC1 ZINC000331065769 264111369 /nfs/dbraw/zinc/11/13/69/264111369.db2.gz XTZMHXXHECTYEY-UHFFFAOYSA-N 0 3 286.379 2.069 20 30 CEEDHN CSc1c(C(=O)NCCN2CCC[C@H](C)C2)cnn1C ZINC000331082974 264117195 /nfs/dbraw/zinc/11/71/95/264117195.db2.gz OXQZPSGEYCBXLC-NSHDSACASA-N 0 3 296.440 2.179 20 30 CEEDHN CCc1nc(C(=O)NC[C@H]2CCCCN2CC)co1 ZINC000331085480 264118308 /nfs/dbraw/zinc/11/83/08/264118308.db2.gz ZUJKFVPDTNBIPN-LLVKDONJSA-N 0 3 265.357 2.416 20 30 CEEDHN COCC(C)(C)N1CCN(Cc2cccc(C#N)c2)CC1 ZINC000425351367 264122909 /nfs/dbraw/zinc/12/29/09/264122909.db2.gz NKYMIQSESUEPEG-UHFFFAOYSA-N 0 3 287.407 2.101 20 30 CEEDHN Cc1cnccc1CNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000331123235 264131814 /nfs/dbraw/zinc/13/18/14/264131814.db2.gz GVLJSUHFXIBZCB-CYBMUJFWSA-N 0 3 288.395 2.044 20 30 CEEDHN CC[C@H](C)n1ncc(C(=O)NC[C@H]2CCN(C)C2)c1C ZINC000331091443 264133756 /nfs/dbraw/zinc/13/37/56/264133756.db2.gz WONGCKJLFMFCIZ-WCQYABFASA-N 0 3 278.400 2.419 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)c1nc(C)oc1C ZINC000331155164 264141155 /nfs/dbraw/zinc/14/11/55/264141155.db2.gz DCJCAHHGIYWXPB-LLVKDONJSA-N 0 3 251.330 2.080 20 30 CEEDHN CC(=O)c1ccc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cc1[O-] ZINC000331328566 264191256 /nfs/dbraw/zinc/19/12/56/264191256.db2.gz GXOPVYWTKIKUHV-OLZOCXBDSA-N 0 3 290.363 2.382 20 30 CEEDHN C[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)N1CCCC[C@H]1C ZINC000425406723 264284576 /nfs/dbraw/zinc/28/45/76/264284576.db2.gz PSQPZZQAGWMUNO-CBBWQLFWSA-N 0 3 292.427 2.241 20 30 CEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425468415 264341901 /nfs/dbraw/zinc/34/19/01/264341901.db2.gz DNSFNTJYOSGLDS-LJISPDSOSA-N 0 3 292.427 2.098 20 30 CEEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000076734980 264342715 /nfs/dbraw/zinc/34/27/15/264342715.db2.gz GMUGZZABYVRBGK-GFCCVEGCSA-N 0 3 289.379 2.011 20 30 CEEDHN C=CCOc1cccc(NC(=O)C[C@H]2CSCCN2)c1 ZINC000132640602 264398089 /nfs/dbraw/zinc/39/80/89/264398089.db2.gz NIQBYKRZXRCWNI-ZDUSSCGKSA-N 0 3 292.404 2.285 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(C)nn(C)c1Cl ZINC000280703165 264459063 /nfs/dbraw/zinc/45/90/63/264459063.db2.gz SQRANLKRRRHTBR-AAEUAGOBSA-N 0 3 283.803 2.453 20 30 CEEDHN C=CCN1CCC(Nc2c([N+](=O)[O-])nc(C)n2CC)CC1 ZINC000288913720 264694833 /nfs/dbraw/zinc/69/48/33/264694833.db2.gz OWPIVQIQCKDGAS-UHFFFAOYSA-N 0 3 293.371 2.182 20 30 CEEDHN C=C[C@H](CO)N[C@@H]1CCCc2nc(CC)sc21 ZINC000289743046 264730472 /nfs/dbraw/zinc/73/04/72/264730472.db2.gz KRWUEGDWWKEBHU-NXEZZACHSA-N 0 3 252.383 2.219 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000345754358 265096941 /nfs/dbraw/zinc/09/69/41/265096941.db2.gz QYWVBVLXMJIEGB-STQMWFEESA-N 0 3 253.390 2.077 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@H](COc2ccccc2)C1 ZINC000357079857 266243236 /nfs/dbraw/zinc/24/32/36/266243236.db2.gz QMVPBJWIXYXWSE-CHWSQXEVSA-N 0 3 258.321 2.074 20 30 CEEDHN C=CCOc1ccccc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000357412163 266292229 /nfs/dbraw/zinc/29/22/29/266292229.db2.gz KOJGTXDBUGYKKN-ZIAGYGMSSA-N 0 3 288.391 2.464 20 30 CEEDHN CCN(CCCNC(=O)C(C)C#N)c1ccccc1 ZINC000357798546 266364375 /nfs/dbraw/zinc/36/43/75/266364375.db2.gz LYBMWIFXHURGSY-CYBMUJFWSA-N 0 3 259.353 2.179 20 30 CEEDHN CC(C#N)C(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000357819562 266373050 /nfs/dbraw/zinc/37/30/50/266373050.db2.gz DJVQOEGVBYJARD-SECBINFHSA-N 0 3 286.253 2.404 20 30 CEEDHN C=CCC1(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)CCC1 ZINC000358607377 266479841 /nfs/dbraw/zinc/47/98/41/266479841.db2.gz KIBTUZYXRGROSK-STQMWFEESA-N 0 3 282.453 2.237 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)NCC(C)(C)CCC#N ZINC000358732718 266490676 /nfs/dbraw/zinc/49/06/76/266490676.db2.gz KQVUIHYNMUAPEU-UHFFFAOYSA-N 0 3 294.443 2.300 20 30 CEEDHN CCCCCCCN1CCCN(CC(=O)N(C)C)CC1 ZINC000363181280 267078433 /nfs/dbraw/zinc/07/84/33/267078433.db2.gz VRJFPHNWWSFHHL-UHFFFAOYSA-N 0 3 283.460 2.053 20 30 CEEDHN N#CCCCCN1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000363198970 267079631 /nfs/dbraw/zinc/07/96/31/267079631.db2.gz MISAHDKKOWRMNB-CQSZACIVSA-N 0 3 263.385 2.157 20 30 CEEDHN N#CCSCCCN1CCC[C@@H](N2CCCCC2=O)C1 ZINC000363305946 267087073 /nfs/dbraw/zinc/08/70/73/267087073.db2.gz VEAOXRXPYSBIOX-CQSZACIVSA-N 0 3 295.452 2.110 20 30 CEEDHN N#CCCCN1CCC(CO)(Nc2ccccc2)CC1 ZINC000368432856 267171594 /nfs/dbraw/zinc/17/15/94/267171594.db2.gz GGRKPLCXDFTAFG-UHFFFAOYSA-N 0 3 273.380 2.229 20 30 CEEDHN CC[C@@H](N[C@H]1CCCN(C)C1=O)c1ccc(C#N)cc1 ZINC000447587725 267197326 /nfs/dbraw/zinc/19/73/26/267197326.db2.gz RZUGIHSGFGFHFI-CABCVRRESA-N 0 3 271.364 2.220 20 30 CEEDHN CC[C@H](C)[C@@H](O)CNCc1ccc(C#N)c(F)c1 ZINC000421330998 267206061 /nfs/dbraw/zinc/20/60/61/267206061.db2.gz YZEDIEXPSFANPD-HZMBPMFUSA-N 0 3 250.317 2.194 20 30 CEEDHN CC[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)C(=O)NC ZINC000453407943 267223080 /nfs/dbraw/zinc/22/30/80/267223080.db2.gz PZOMWNSSUULELY-JKSUJKDBSA-N 0 3 285.391 2.440 20 30 CEEDHN CC[C@H]1[C@H](CO)CCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000521254956 267236220 /nfs/dbraw/zinc/23/62/20/267236220.db2.gz RYIJFAUDDBQAGK-KBPBESRZSA-N 0 3 289.335 2.059 20 30 CEEDHN CCCCCCCN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000369592560 267250966 /nfs/dbraw/zinc/25/09/66/267250966.db2.gz RUPMXZIGBHXWLC-CVEARBPZSA-N 0 3 268.445 2.488 20 30 CEEDHN CC#CCN1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000369626190 267256256 /nfs/dbraw/zinc/25/62/56/267256256.db2.gz SWGMCZNPGBKWSR-AWEZNQCLSA-N 0 3 262.397 2.171 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC(C3CCCC3)C2)CC1 ZINC000369794496 267266366 /nfs/dbraw/zinc/26/63/66/267266366.db2.gz GFKBVFHFZOIBNT-UHFFFAOYSA-N 0 3 291.439 2.468 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)Nc1cccc(C#N)c1 ZINC000454197591 267279045 /nfs/dbraw/zinc/27/90/45/267279045.db2.gz IJLFSIGUYVHYID-UHFFFAOYSA-N 0 3 260.341 2.020 20 30 CEEDHN C#CCCCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000370203246 267298054 /nfs/dbraw/zinc/29/80/54/267298054.db2.gz FNRWRNXZXOMFNY-KRWDZBQOSA-N 0 3 299.418 2.316 20 30 CEEDHN CN1CCC(CC(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000456850656 267331610 /nfs/dbraw/zinc/33/16/10/267331610.db2.gz XRWAPVPEDRNBGD-UHFFFAOYSA-N 0 3 289.354 2.045 20 30 CEEDHN CN1CC[C@@H](Nc2cncc(C#N)n2)[C@@H]1c1ccccc1 ZINC000420615873 267339506 /nfs/dbraw/zinc/33/95/06/267339506.db2.gz QRZAWQIJMTVTQO-ZBFHGGJFSA-N 0 3 279.347 2.206 20 30 CEEDHN C#CCCN1CCC[C@@H](C(=O)Nc2nc(C)cs2)C1 ZINC000371195918 267369018 /nfs/dbraw/zinc/36/90/18/267369018.db2.gz QAXLGNVZLKGMGY-GFCCVEGCSA-N 0 3 277.393 2.125 20 30 CEEDHN CO[C@@H]1C[C@@H](NCc2cnc3ccc(C#N)cn23)C12CCC2 ZINC000516006235 267532735 /nfs/dbraw/zinc/53/27/35/267532735.db2.gz UCFZYKOHSJOOKR-HUUCEWRRSA-N 0 3 296.374 2.253 20 30 CEEDHN C#CCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000376736038 268012607 /nfs/dbraw/zinc/01/26/07/268012607.db2.gz UDLNCNGLKNFXER-WBVHZDCISA-N 0 3 299.418 2.362 20 30 CEEDHN C#CCC(CC#C)C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000376761494 268014403 /nfs/dbraw/zinc/01/44/03/268014403.db2.gz UGGOIRGWBYEERD-KRWDZBQOSA-N 0 3 286.419 2.126 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC[C@H]1CCCN1CCc1ccccc1 ZINC000376921342 268030741 /nfs/dbraw/zinc/03/07/41/268030741.db2.gz DFTGIEKYSTZEEA-NVXWUHKLSA-N 0 3 299.418 2.014 20 30 CEEDHN N#Cc1c(F)cccc1CN[C@H]1CCC[C@@H]1CCO ZINC000428984692 268164892 /nfs/dbraw/zinc/16/48/92/268164892.db2.gz ILCKHXOYRVHUPJ-ABAIWWIYSA-N 0 3 262.328 2.338 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](c3ccncc3)C2)nc1 ZINC000515069741 268223686 /nfs/dbraw/zinc/22/36/86/268223686.db2.gz MSBPTKPXDNYZDU-HNNXBMFYSA-N 0 3 264.332 2.338 20 30 CEEDHN N#Cc1ccc([C@H](NCC(C2CC2)C2CC2)C(N)=O)cc1 ZINC000525758406 268263514 /nfs/dbraw/zinc/26/35/14/268263514.db2.gz BIWAGEHMNQCGCR-INIZCTEOSA-N 0 3 283.375 2.110 20 30 CEEDHN C[C@@H]1[C@H](Nc2c(C#N)cccc2C#N)CCCN1C ZINC000436364173 271662875 /nfs/dbraw/zinc/66/28/75/271662875.db2.gz RWXNYVWEEIDCSM-BXUZGUMPSA-N 0 3 254.337 2.325 20 30 CEEDHN C=CCC(C)(C)C(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000344066365 276882061 /nfs/dbraw/zinc/88/20/61/276882061.db2.gz MDUKISYZQGSKSD-RYUDHWBXSA-N 0 3 270.442 2.093 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)no1)C(C)C ZINC000046049246 276891014 /nfs/dbraw/zinc/89/10/14/276891014.db2.gz NAVLQFHWFBHAQA-AWEZNQCLSA-N 0 3 291.395 2.411 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)NCC1(C#N)CCC1 ZINC000331493669 277039532 /nfs/dbraw/zinc/03/95/32/277039532.db2.gz XUHWJEUMTGASTE-ZDUSSCGKSA-N 0 3 292.427 2.100 20 30 CEEDHN CN1CC[C@@]2(CCN(c3nc4c(cc3C#N)CCCC4)C2)C1 ZINC000292213841 277161139 /nfs/dbraw/zinc/16/11/39/277161139.db2.gz HPUGRIQNJFXCEZ-GOSISDBHSA-N 0 3 296.418 2.364 20 30 CEEDHN CC(C)(C)[C@@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000331604724 277232237 /nfs/dbraw/zinc/23/22/37/277232237.db2.gz DNNKAITZDCWPHZ-XJKSGUPXSA-N 0 3 277.412 2.305 20 30 CEEDHN CC(C)(C)[C@@H]1CCCN1CC(=O)NC1(C#N)CCC1 ZINC000346862071 277232257 /nfs/dbraw/zinc/23/22/57/277232257.db2.gz ZYFSRXAPWCSHMC-LBPRGKRZSA-N 0 3 263.385 2.059 20 30 CEEDHN CO[C@H](C)CN(Cc1cnc2ccc(C#N)cn12)C(C)C ZINC000353781227 277323828 /nfs/dbraw/zinc/32/38/28/277323828.db2.gz OKNQTYMLFOMMDB-CYBMUJFWSA-N 0 3 286.379 2.451 20 30 CEEDHN COC(=O)[C@@H]1CC[C@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353594562 277356969 /nfs/dbraw/zinc/35/69/69/277356969.db2.gz HGTQJQLFFQIADB-IJEWVQPXSA-N 0 3 284.359 2.477 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC2(CCO2)CC1 ZINC000367093521 277771967 /nfs/dbraw/zinc/77/19/67/277771967.db2.gz KZWIPCBYIWTJAP-AWEZNQCLSA-N 0 3 280.412 2.054 20 30 CEEDHN C=CCSCCN[C@@H](c1nccn1C)C1CC1 ZINC000122870830 277879072 /nfs/dbraw/zinc/87/90/72/277879072.db2.gz WFGDMXWFMMPJAE-GFCCVEGCSA-N 0 3 251.399 2.380 20 30 CEEDHN C[C@@H](CN(C)Cc1ccccc1)Nc1cnc(C#N)cn1 ZINC000129121664 278242685 /nfs/dbraw/zinc/24/26/85/278242685.db2.gz BLDUUQJJFWYGHY-ZDUSSCGKSA-N 0 3 281.363 2.281 20 30 CEEDHN C[C@@H](CNC(=O)C1(C#N)CCCC1)N1CCC(C)CC1 ZINC000049378827 278269070 /nfs/dbraw/zinc/26/90/70/278269070.db2.gz DISLVHCQURXYOW-AWEZNQCLSA-N 0 3 277.412 2.307 20 30 CEEDHN C[C@H](CC[S@](C)=O)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353261967 279271485 /nfs/dbraw/zinc/27/14/85/279271485.db2.gz DFPDSGICCOUONF-VWCVUJCZSA-N 0 3 276.405 2.292 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC2(CC1)OCCO2 ZINC000187391956 279603957 /nfs/dbraw/zinc/60/39/57/279603957.db2.gz WPUIAJSXYSBYDL-CYBMUJFWSA-N 0 3 272.348 2.458 20 30 CEEDHN CC(C)N1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000191903070 280177621 /nfs/dbraw/zinc/17/76/21/280177621.db2.gz ZVIBPVCJZHTUOK-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN C[C@@H]1[C@H](C)SCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000127299243 289027670 /nfs/dbraw/zinc/02/76/70/289027670.db2.gz UIMIGYGOKPVADW-XUJVJEKNSA-N 0 3 276.405 2.417 20 30 CEEDHN C[C@H](CNC(=O)[C@]1(C)CCCNC1=O)N(C)C1CC1 ZINC000330266858 289395103 /nfs/dbraw/zinc/39/51/03/289395103.db2.gz AIGRLSQEJARGJT-QMTHXVAHSA-N 0 3 267.373 2.182 20 30 CEEDHN C[C@H](NCCN1CC=CCC1)c1ccc(C#N)cc1 ZINC000280859310 289958083 /nfs/dbraw/zinc/95/80/83/289958083.db2.gz CCCQWURPVOLMQS-AWEZNQCLSA-N 0 3 255.365 2.471 20 30 CEEDHN C[C@@H](NCCN1CCO[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000538507759 298229971 /nfs/dbraw/zinc/22/99/71/298229971.db2.gz CCWFJHDBFIMGOY-QWHCGFSZSA-N 0 3 291.370 2.069 20 30 CEEDHN Cc1ccc(CCNCc2cnc3ccc(C#N)cn23)o1 ZINC000540538062 298265446 /nfs/dbraw/zinc/26/54/46/298265446.db2.gz QWUYTRVLBWLRKE-UHFFFAOYSA-N 0 3 280.331 2.440 20 30 CEEDHN CN(C)[C@@H](CNc1ccncc1C#N)c1cccs1 ZINC000547361271 298364760 /nfs/dbraw/zinc/36/47/60/298364760.db2.gz KCHHULYAFBOUAB-ZDUSSCGKSA-N 0 3 272.377 2.151 20 30 CEEDHN C=CCCCCNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000353349437 527150616 /nfs/dbraw/zinc/15/06/16/527150616.db2.gz RJUPGCKFAYZKOC-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(N2CN=NC2=O)CC1 ZINC000562450750 298688905 /nfs/dbraw/zinc/68/89/05/298688905.db2.gz FVVXWKWDNMPYJI-GFCCVEGCSA-N 0 3 297.362 2.253 20 30 CEEDHN CSc1ccc(OC[C@H](O)CNCCCC#N)cc1 ZINC000563013124 327756563 /nfs/dbraw/zinc/75/65/63/327756563.db2.gz FYAZLGNTQMVCRJ-GFCCVEGCSA-N 0 3 280.393 2.042 20 30 CEEDHN CC1(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000574137902 314189234 /nfs/dbraw/zinc/18/92/34/314189234.db2.gz ZLZJTJSDQYHEAW-ZDUSSCGKSA-N 0 3 257.337 2.206 20 30 CEEDHN CC[C@H]1C[C@H](C)CN1Cc1cnc2c(C#N)cnn2c1 ZINC000576584473 314290545 /nfs/dbraw/zinc/29/05/45/314290545.db2.gz IZZZOWQIDQYLGU-FZMZJTMJSA-N 0 3 269.352 2.221 20 30 CEEDHN N#CC1(C(=O)Nc2ccc3c(c2)CNC3)CCCC1 ZINC000563338029 328054839 /nfs/dbraw/zinc/05/48/39/328054839.db2.gz GMINTVVHVOKFBZ-UHFFFAOYSA-N 0 3 255.321 2.312 20 30 CEEDHN C#CCOc1ccccc1CNCCC1(O)CCC1 ZINC000283894270 328136403 /nfs/dbraw/zinc/13/64/03/328136403.db2.gz HOUOZBYMKLSVBE-UHFFFAOYSA-N 0 3 259.349 2.093 20 30 CEEDHN C=CCN1CCC(/N=C/c2cccc(O)c2O)CC1 ZINC000264407626 328159483 /nfs/dbraw/zinc/15/94/83/328159483.db2.gz YDFKANOYFPCXPZ-LFIBNONCSA-N 0 3 260.337 2.167 20 30 CEEDHN N#CCCCNCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000273017067 328202815 /nfs/dbraw/zinc/20/28/15/328202815.db2.gz CXYKFSSYVHLLGN-UHFFFAOYSA-N 0 3 284.319 2.199 20 30 CEEDHN CO[C@H]1CN(Cc2ccc(OCC#N)cc2)CC[C@H]1C ZINC000275880923 328216918 /nfs/dbraw/zinc/21/69/18/328216918.db2.gz QFYDUBFNMRSETC-CJNGLKHVSA-N 0 3 274.364 2.446 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@H]2COc3ccccc3[C@H]2O)C1 ZINC000290247828 328258753 /nfs/dbraw/zinc/25/87/53/328258753.db2.gz JQPFNJKPJVMAAK-TWJWRFFLSA-N 0 3 272.348 2.153 20 30 CEEDHN CN(CCSC[C@H](O)CC#N)Cc1ccccc1 ZINC000294342383 328280184 /nfs/dbraw/zinc/28/01/84/328280184.db2.gz YPFUBHFVPFIVNV-CQSZACIVSA-N 0 3 264.394 2.126 20 30 CEEDHN N#Cc1ccc(C2(C(=O)NCCN3CCCCC3)CC2)cc1 ZINC000188121338 321764861 /nfs/dbraw/zinc/76/48/61/321764861.db2.gz YRMMTKCOYOJOCD-UHFFFAOYSA-N 0 3 297.402 2.192 20 30 CEEDHN COc1cc(CN[C@@H]2C[C@H](C)O[C@@H]2C)ccc1C#N ZINC000385090750 321857690 /nfs/dbraw/zinc/85/76/90/321857690.db2.gz GDSKAGYOWLBEIH-MISXGVKJSA-N 0 3 260.337 2.222 20 30 CEEDHN C[C@H](O)CN(Cc1ccc(C#N)cn1)C1CCCCC1 ZINC000581258568 322382315 /nfs/dbraw/zinc/38/23/15/322382315.db2.gz FFEHQYDLGKFGDG-ZDUSSCGKSA-N 0 3 273.380 2.469 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(C)CC1(N(C)C)CCC1 ZINC000341434276 328410086 /nfs/dbraw/zinc/41/00/86/328410086.db2.gz POQPQSDIGQCZEV-ZDUSSCGKSA-N 0 3 267.417 2.467 20 30 CEEDHN C=C[C@H](CO)NCc1cccc(OCC(F)(F)F)c1 ZINC000289983736 328528341 /nfs/dbraw/zinc/52/83/41/328528341.db2.gz WZEFYYDWCBJDSM-LLVKDONJSA-N 0 3 275.270 2.264 20 30 CEEDHN CC1CC(C#N)(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)C1 ZINC000557643181 327018573 /nfs/dbraw/zinc/01/85/73/327018573.db2.gz HKEHBCDJFRIUQX-WJEHIRDRSA-N 0 3 275.396 2.011 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](C2CCCC2)C1 ZINC000557667246 327019959 /nfs/dbraw/zinc/01/99/59/327019959.db2.gz LGYYPFXXXREEKD-ZFWWWQNUSA-N 0 3 289.423 2.449 20 30 CEEDHN N#CCCCN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152189380 327251237 /nfs/dbraw/zinc/25/12/37/327251237.db2.gz QVWMITMNKBSHHM-GFCCVEGCSA-N 0 3 259.357 2.165 20 30 CEEDHN N#CCCCN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152189380 327251238 /nfs/dbraw/zinc/25/12/38/327251238.db2.gz QVWMITMNKBSHHM-GFCCVEGCSA-N 0 3 259.357 2.165 20 30 CEEDHN C=C(Br)CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000153540151 327347050 /nfs/dbraw/zinc/34/70/50/327347050.db2.gz AABHFTRUBMYFPC-CMPLNLGQSA-N 0 3 297.196 2.347 20 30 CEEDHN C=CCOc1cccc(CN2CCC[C@H](CO)C2)c1 ZINC000154607210 327385398 /nfs/dbraw/zinc/38/53/98/327385398.db2.gz AKVUKSJBPOFTMM-HNNXBMFYSA-N 0 3 261.365 2.456 20 30 CEEDHN C[C@H]1CN(CC(=O)NC2(C#N)CCCCC2)C(C)(C)C1 ZINC000408289377 327387562 /nfs/dbraw/zinc/38/75/62/327387562.db2.gz CQVATQJKMJXJRV-CYBMUJFWSA-N 0 3 277.412 2.449 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000375127380 329001229 /nfs/dbraw/zinc/00/12/29/329001229.db2.gz RPPHJAVMIWFLHG-MELADBBJSA-N 0 3 250.386 2.141 20 30 CEEDHN N#CCCCN1CCCN(c2cncc(F)c2)CC1 ZINC000378253459 329044219 /nfs/dbraw/zinc/04/42/19/329044219.db2.gz QTDGQJHRMFJEEL-UHFFFAOYSA-N 0 3 262.332 2.037 20 30 CEEDHN C[C@@H](C(=O)NCCCCC#N)N1[C@H](C)CC[C@@H]1C ZINC000170902475 329071831 /nfs/dbraw/zinc/07/18/31/329071831.db2.gz VLZPJLDCXLERSG-XQQFMLRXSA-N 0 3 251.374 2.058 20 30 CEEDHN C=C(C)CN1CCC[C@@H](c2n[nH]cc2NC(C)=O)C1 ZINC000378537921 329054343 /nfs/dbraw/zinc/05/43/43/329054343.db2.gz LNTGWHSNQVGXGV-GFCCVEGCSA-N 0 3 262.357 2.124 20 30 CEEDHN C=CCOCCNCc1cccc(-c2cnn(C)c2)c1 ZINC000360012957 329069866 /nfs/dbraw/zinc/06/98/66/329069866.db2.gz DQWGSRVQPVRXRH-UHFFFAOYSA-N 0 3 271.364 2.379 20 30 CEEDHN C=CCSCCNC(=O)c1cccc(CN(C)C)c1 ZINC000172618702 329137561 /nfs/dbraw/zinc/13/75/61/329137561.db2.gz DGEWCGDVPFVDRX-UHFFFAOYSA-N 0 3 278.421 2.397 20 30 CEEDHN C#CCCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174085629 329154115 /nfs/dbraw/zinc/15/41/15/329154115.db2.gz LDZNRUGSTWGDOO-QGZVFWFLSA-N 0 3 299.418 2.364 20 30 CEEDHN C[C@@H]1[C@@H](C)CCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000177900968 329190181 /nfs/dbraw/zinc/19/01/81/329190181.db2.gz ALNJBRCDMOWMHN-UONOGXRCSA-N 0 3 277.412 2.402 20 30 CEEDHN C=C(C)CN1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000178034765 329191277 /nfs/dbraw/zinc/19/12/77/329191277.db2.gz NWCMRATURYZORK-UHFFFAOYSA-N 0 3 290.382 2.479 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(CC)nc2C)CC1 ZINC000183734406 329249962 /nfs/dbraw/zinc/24/99/62/329249962.db2.gz XWGRLWDJSHFGPT-UHFFFAOYSA-N 0 3 287.407 2.333 20 30 CEEDHN C=CC[C@@H](CO)NCc1cccc(OC(F)F)c1 ZINC000184273043 329258526 /nfs/dbraw/zinc/25/85/26/329258526.db2.gz CZHNKATYACRYSF-NSHDSACASA-N 0 3 257.280 2.315 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(C)cc1Cl ZINC000392806420 329386578 /nfs/dbraw/zinc/38/65/78/329386578.db2.gz BXSYMIHESNFDAR-UHFFFAOYSA-N 0 3 278.783 2.333 20 30 CEEDHN Cc1ccc([C@@H](CNC(=O)C(C)(C)C#N)N(C)C)cc1 ZINC000049378738 329637962 /nfs/dbraw/zinc/63/79/62/329637962.db2.gz VFUSGCYXTZQTQB-CQSZACIVSA-N 0 3 273.380 2.264 20 30 CEEDHN CC(C)(C#N)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000193958054 329684276 /nfs/dbraw/zinc/68/42/76/329684276.db2.gz DVXDGUDCGRQCJK-UHFFFAOYSA-N 0 3 299.418 2.359 20 30 CEEDHN COCCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000078408627 329958798 /nfs/dbraw/zinc/95/87/98/329958798.db2.gz VYKAUWKHRBDPSL-UHFFFAOYSA-N 0 3 284.363 2.200 20 30 CEEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCCN2C)CCC1 ZINC000421711540 330069417 /nfs/dbraw/zinc/06/94/17/330069417.db2.gz OQAXFZUXCXINAB-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000424081885 330223627 /nfs/dbraw/zinc/22/36/27/330223627.db2.gz KWHXVEQBQJAEAY-WCQYABFASA-N 0 3 251.374 2.093 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000424091146 330225455 /nfs/dbraw/zinc/22/54/55/330225455.db2.gz NKLYNMKRAAYIDC-HZPDHXFCSA-N 0 3 285.391 2.099 20 30 CEEDHN Cc1[nH]c2ccccc2c1CCNC(=O)[C@H](N)CCCC#N ZINC000424117966 330244079 /nfs/dbraw/zinc/24/40/79/330244079.db2.gz ZLLSINNWMXAICJ-OAHLLOKOSA-N 0 3 298.390 2.156 20 30 CEEDHN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424120396 330248817 /nfs/dbraw/zinc/24/88/17/330248817.db2.gz DTNQTMFFLKYPBT-IHRRRGAJSA-N 0 3 265.401 2.339 20 30 CEEDHN CC[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)CCCC#N)C1 ZINC000424124698 330257392 /nfs/dbraw/zinc/25/73/92/330257392.db2.gz MPWFLROLYXUDRH-UPJWGTAASA-N 0 3 251.374 2.093 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1cnc2ccccc2c1 ZINC000424130771 330261707 /nfs/dbraw/zinc/26/17/07/330261707.db2.gz HUNAYBOJRSHMND-ZDUSSCGKSA-N 0 3 268.320 2.194 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CC2(CC2)c2ccccc21 ZINC000424131031 330262253 /nfs/dbraw/zinc/26/22/53/330262253.db2.gz ULGCTNRWDWAUAD-ZDUSSCGKSA-N 0 3 269.348 2.086 20 30 CEEDHN N#C[C@H]1CC[C@@H](N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000424132352 330264435 /nfs/dbraw/zinc/26/44/35/330264435.db2.gz WHTNRBIHZBPACV-YUTCNCBUSA-N 0 3 291.782 2.018 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccncc1Cl ZINC000527721844 330277377 /nfs/dbraw/zinc/27/73/77/330277377.db2.gz RNGPXBRLINNURG-AAEUAGOBSA-N 0 3 252.745 2.416 20 30 CEEDHN CC[C@](C)(NC(=O)[C@H](N)CCCC#N)c1nc(C)cs1 ZINC000424139702 330277789 /nfs/dbraw/zinc/27/77/89/330277789.db2.gz FEZQADJJWRZBIU-RISCZKNCSA-N 0 3 294.424 2.214 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NC1(c2nccs2)CCCC1 ZINC000424145435 330290430 /nfs/dbraw/zinc/29/04/30/330290430.db2.gz NOORIRLJBULQSQ-LLVKDONJSA-N 0 3 292.408 2.050 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000424160660 330306324 /nfs/dbraw/zinc/30/63/24/330306324.db2.gz WQBKXIGLDQIZNC-QWRGUYRKSA-N 0 3 291.317 2.245 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000424160662 330306355 /nfs/dbraw/zinc/30/63/55/330306355.db2.gz WQBKXIGLDQIZNC-WDEREUQCSA-N 0 3 291.317 2.245 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCN(C2CC2)c2ccccc21 ZINC000424169587 330312061 /nfs/dbraw/zinc/31/20/61/330312061.db2.gz HDLQCALUVIGNHE-CQSZACIVSA-N 0 3 298.390 2.023 20 30 CEEDHN CN(Cc1ccc(Cl)c(F)c1)C(=O)[C@@H](N)CCCC#N ZINC000424169937 330312136 /nfs/dbraw/zinc/31/21/36/330312136.db2.gz KJPPZDPPIMYCMI-ZDUSSCGKSA-N 0 3 297.761 2.459 20 30 CEEDHN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)[C@H](N)CCCC#N ZINC000424191507 330323876 /nfs/dbraw/zinc/32/38/76/330323876.db2.gz RIEDXBMMVCKACA-NXEZZACHSA-N 0 3 291.317 2.197 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1ccncc1F ZINC000424299957 330337028 /nfs/dbraw/zinc/33/70/28/330337028.db2.gz WIYPTGHSDCLLDX-SUNKGSAMSA-N 0 3 250.317 2.462 20 30 CEEDHN C=C(C)COCCNC(=O)Nc1cc(C)cc(CN)c1 ZINC000424438307 330352045 /nfs/dbraw/zinc/35/20/45/330352045.db2.gz PQUBZFQLARCTQD-UHFFFAOYSA-N 0 3 277.368 2.168 20 30 CEEDHN N#CCCC[C@H](NCC(=O)N1CCC1)c1ccccc1 ZINC000433025120 330612901 /nfs/dbraw/zinc/61/29/01/330612901.db2.gz HSFJKINBOMOCJW-HNNXBMFYSA-N 0 3 271.364 2.243 20 30 CEEDHN CC(=O)Nc1cccc(OCCN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442857405 330787500 /nfs/dbraw/zinc/78/75/00/330787500.db2.gz PNARUZOCTVHCND-KGLIPLIRSA-N 0 3 287.363 2.306 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc2c(c1)OCCCCO2 ZINC000449235022 330908307 /nfs/dbraw/zinc/90/83/07/330908307.db2.gz DTHNGRZWYKPNON-AWEZNQCLSA-N 0 3 277.364 2.265 20 30 CEEDHN C=CCC1(C(=O)N2CCO[C@H](CN(C)C)C2)CCCCC1 ZINC000449880653 330953166 /nfs/dbraw/zinc/95/31/66/330953166.db2.gz PHTXRSRODFNZCE-OAHLLOKOSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C[C@H]2CCC(F)(F)C2)C1=O ZINC000450902758 331006013 /nfs/dbraw/zinc/00/60/13/331006013.db2.gz KKTMWCYAAKKLNQ-NWDGAFQWSA-N 0 3 272.339 2.141 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000451597458 331035497 /nfs/dbraw/zinc/03/54/97/331035497.db2.gz IKPGEVHBZLDTOO-BARDWOONSA-N 0 3 280.412 2.099 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000451597971 331035556 /nfs/dbraw/zinc/03/55/56/331035556.db2.gz JLGABHHIBGFVPD-CFVMTHIKSA-N 0 3 274.364 2.255 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(CC)C1CCCCC1 ZINC000451599939 331035761 /nfs/dbraw/zinc/03/57/61/331035761.db2.gz PVXMVTQGRKLBAX-CABCVRRESA-N 0 3 280.412 2.101 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)C1CCCCC1 ZINC000451675220 331038466 /nfs/dbraw/zinc/03/84/66/331038466.db2.gz BNDQRCBZHTYEEQ-CABCVRRESA-N 0 3 280.412 2.101 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000451677756 331038645 /nfs/dbraw/zinc/03/86/45/331038645.db2.gz VOFPWVNYTRLKMT-JJXSEGSLSA-N 0 3 294.439 2.347 20 30 CEEDHN CN(C)C(=O)N[C@@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000452004212 331049962 /nfs/dbraw/zinc/04/99/62/331049962.db2.gz AWKPMGPQUJBNDT-CQSZACIVSA-N 0 3 294.443 2.442 20 30 CEEDHN C=CCCCC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452177222 331057077 /nfs/dbraw/zinc/05/70/77/331057077.db2.gz XBEUNMIPHZCXAJ-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CC(C)(C)CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000452778750 331077237 /nfs/dbraw/zinc/07/72/37/331077237.db2.gz YUQQFBQIFPDXST-CYBMUJFWSA-N 0 3 250.386 2.189 20 30 CEEDHN CC1(C)OCC[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000452924454 331080747 /nfs/dbraw/zinc/08/07/47/331080747.db2.gz IJJXTGMLNUAPDS-CABCVRRESA-N 0 3 286.375 2.443 20 30 CEEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000453350914 331120627 /nfs/dbraw/zinc/12/06/27/331120627.db2.gz JZRSQLFJDOAOBF-CFZJUORYSA-N 0 3 281.421 2.402 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCC(=C)CC)CC1 ZINC000454456254 331146548 /nfs/dbraw/zinc/14/65/48/331146548.db2.gz CSSNSOVDFQQJNL-UHFFFAOYSA-N 0 3 265.401 2.292 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000454468890 331146879 /nfs/dbraw/zinc/14/68/79/331146879.db2.gz TUHSFJFIGCVZEL-HOCLYGCPSA-N 0 3 291.439 2.372 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC/C=C\CC)CC1 ZINC000454469591 331146933 /nfs/dbraw/zinc/14/69/33/331146933.db2.gz VIPRUMZZVBLHEK-WAYWQWQTSA-N 0 3 265.401 2.292 20 30 CEEDHN C=C(CC)CNC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000454496840 331147454 /nfs/dbraw/zinc/14/74/54/331147454.db2.gz CLOJXSSNPDDYJF-ZIAGYGMSSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CC(C)(C)CNC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000454602321 331149644 /nfs/dbraw/zinc/14/96/44/331149644.db2.gz KRAJNDKGCQABJV-ZDUSSCGKSA-N 0 3 269.433 2.474 20 30 CEEDHN C=C(CC)CNC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000454641561 331150231 /nfs/dbraw/zinc/15/02/31/331150231.db2.gz LKMNCVKNQVZNPY-KBPBESRZSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H](F)C1)C(C)C ZINC000457744591 331233052 /nfs/dbraw/zinc/23/30/52/331233052.db2.gz KQUAUAUXFCCDQR-GJZGRUSLSA-N 0 3 297.418 2.438 20 30 CEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCC(C)(C)CC#N ZINC000457928475 331237812 /nfs/dbraw/zinc/23/78/12/331237812.db2.gz JGECFUJYWOXLRA-ZIAGYGMSSA-N 0 3 294.443 2.346 20 30 CEEDHN C=CCN1CCC(NC(=O)NC2(C(C)C)CC2)CC1 ZINC000458334776 331249226 /nfs/dbraw/zinc/24/92/26/331249226.db2.gz NDZJHEYNCFCBLP-UHFFFAOYSA-N 0 3 265.401 2.125 20 30 CEEDHN CC#CCN(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000458572587 331253234 /nfs/dbraw/zinc/25/32/34/331253234.db2.gz HDVHFZUGBVPOFQ-HOTGVXAUSA-N 0 3 285.391 2.097 20 30 CEEDHN CC(C)CN(CCN(C)C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459007657 331266065 /nfs/dbraw/zinc/26/60/65/331266065.db2.gz KJHFOZYYVVJIHN-GJZGRUSLSA-N 0 3 294.443 2.298 20 30 CEEDHN C=C(C)CCNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000459013774 331266554 /nfs/dbraw/zinc/26/65/54/331266554.db2.gz ZKUZYLCRTHDMFR-UHFFFAOYSA-N 0 3 290.411 2.121 20 30 CEEDHN C[C@H](CC[S@@](C)=O)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000164635764 331271173 /nfs/dbraw/zinc/27/11/73/331271173.db2.gz PHMZGKPYXFNXKT-UVARLRKDSA-N 0 3 294.420 2.397 20 30 CEEDHN C=C(C)CNC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000488561735 332017512 /nfs/dbraw/zinc/01/75/12/332017512.db2.gz GVVOHRFAOOEUHY-BETUJISGSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000488977531 332036305 /nfs/dbraw/zinc/03/63/05/332036305.db2.gz MFTXFNVPCTUWBW-AWEZNQCLSA-N 0 3 275.396 2.088 20 30 CEEDHN C=CCCCS(=O)(=O)NCC(C)(C)N1CCCCC1 ZINC000489098032 332041450 /nfs/dbraw/zinc/04/14/50/332041450.db2.gz HLCSSEZADONODV-UHFFFAOYSA-N 0 3 288.457 2.137 20 30 CEEDHN C#CCN1CCC(C(=O)NC2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000490594872 332094347 /nfs/dbraw/zinc/09/43/47/332094347.db2.gz WIPKIQPKQRYKKU-KBPBESRZSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCN(C(=O)NC[C@H](C)N(C)C1CC1)C1CCCCC1 ZINC000490616109 332095817 /nfs/dbraw/zinc/09/58/17/332095817.db2.gz IIPKZXHMZBCWGV-AWEZNQCLSA-N 0 3 291.439 2.447 20 30 CEEDHN C#C[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C(C)C ZINC000490627569 332096773 /nfs/dbraw/zinc/09/67/73/332096773.db2.gz CEHRHHOLGJUSQK-IRXDYDNUSA-N 0 3 299.418 2.068 20 30 CEEDHN C#C[C@H](CC)NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000490713673 332107534 /nfs/dbraw/zinc/10/75/34/332107534.db2.gz LLDJFPKSRJCCIR-IAGOWNOFSA-N 0 3 299.418 2.220 20 30 CEEDHN C#C[C@@H](C)N(C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000491045814 332142899 /nfs/dbraw/zinc/14/28/99/332142899.db2.gz NCGWPKVLANMUNP-CABCVRRESA-N 0 3 270.376 2.102 20 30 CEEDHN C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000491096529 332149147 /nfs/dbraw/zinc/14/91/47/332149147.db2.gz UBMFGTDEOQDPKG-MRXNPFEDSA-N 0 3 297.402 2.068 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CC3CCC2CC3)CC1 ZINC000491221319 332169061 /nfs/dbraw/zinc/16/90/61/332169061.db2.gz VOINMUCGABSWEI-XUJLQICISA-N 0 3 274.408 2.027 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000491287267 332181637 /nfs/dbraw/zinc/18/16/37/332181637.db2.gz LMWTYURMSBVUKE-CQSZACIVSA-N 0 3 270.376 2.376 20 30 CEEDHN C#C[C@@H](NC1CCN(C(=O)OC)CC1)c1ccc(F)cc1 ZINC000491415112 332207539 /nfs/dbraw/zinc/20/75/39/332207539.db2.gz GMWBAZGJIUNOLC-OAHLLOKOSA-N 0 3 290.338 2.320 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCc1cc(Cl)cs1 ZINC000491524257 332229293 /nfs/dbraw/zinc/22/92/93/332229293.db2.gz KTJKQRNLEQHQDG-UHFFFAOYSA-N 0 3 298.839 2.405 20 30 CEEDHN C#CCN(Cc1cc(C(=O)OC)n(C)c1)C1CCCC1 ZINC000491554458 332236776 /nfs/dbraw/zinc/23/67/76/332236776.db2.gz JIHKMFWQGPYIHD-UHFFFAOYSA-N 0 3 274.364 2.190 20 30 CEEDHN C#CCN(C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000491645734 332263481 /nfs/dbraw/zinc/26/34/81/332263481.db2.gz QLGMLBGLNKKRGG-KRWDZBQOSA-N 0 3 299.418 2.316 20 30 CEEDHN C#C[C@@H](CC)NCc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000491662362 332271810 /nfs/dbraw/zinc/27/18/10/332271810.db2.gz BQAHEAJKCNRSSO-OCCSQVGLSA-N 0 3 275.348 2.128 20 30 CEEDHN C#C[C@@H](C)N(C)CCCOc1ccc2c(c1)OCO2 ZINC000491663099 332272154 /nfs/dbraw/zinc/27/21/54/332272154.db2.gz OWSYDXVDJVXGNL-GFCCVEGCSA-N 0 3 261.321 2.138 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)C1CCC(C)CC1 ZINC000491682052 332284847 /nfs/dbraw/zinc/28/48/47/332284847.db2.gz PPAZCVRHGKRMAT-UHFFFAOYSA-N 0 3 279.428 2.162 20 30 CEEDHN C#C[C@H](C)N(C)C[C@H](O)COc1ccc(SC)cc1 ZINC000491696875 332292123 /nfs/dbraw/zinc/29/21/23/332292123.db2.gz KCDICVYWLGYCOU-STQMWFEESA-N 0 3 279.405 2.102 20 30 CEEDHN C#C[C@H](CC)NC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000491698158 332293135 /nfs/dbraw/zinc/29/31/35/332293135.db2.gz AWHQJBUSONMGTO-MCIONIFRSA-N 0 3 291.395 2.420 20 30 CEEDHN C#CCN(C)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000491713039 332304227 /nfs/dbraw/zinc/30/42/27/332304227.db2.gz YSVLMLBDLXHFEI-KRWDZBQOSA-N 0 3 299.418 2.098 20 30 CEEDHN C#CCNC(=O)CCN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000491739451 332318790 /nfs/dbraw/zinc/31/87/90/332318790.db2.gz UEJYYHGQLZXLNH-NSHDSACASA-N 0 3 290.329 2.036 20 30 CEEDHN C#CCN(C)CCCNC(=O)CC1CC(OC(C)(C)C)C1 ZINC000491762122 332332134 /nfs/dbraw/zinc/33/21/34/332332134.db2.gz ZAGOOOZUVGZMLB-UHFFFAOYSA-N 0 3 294.439 2.042 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC000491774100 332340140 /nfs/dbraw/zinc/34/01/40/332340140.db2.gz WQBWHPOHUXOBRU-CVEARBPZSA-N 0 3 276.424 2.274 20 30 CEEDHN C#CCN(CCCC(=O)N(C)C)[C@@H]1CCc2ccccc21 ZINC000491782528 332346506 /nfs/dbraw/zinc/34/65/06/332346506.db2.gz NNFVKSWLVPVGJP-QGZVFWFLSA-N 0 3 284.403 2.478 20 30 CEEDHN C#CCN(CCCC(=O)NC)[C@@H]1CCc2ccccc21 ZINC000491792768 332353060 /nfs/dbraw/zinc/35/30/60/332353060.db2.gz HMTYGIWIAMTEBX-MRXNPFEDSA-N 0 3 270.376 2.135 20 30 CEEDHN C#C[C@@H](CC)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000491805668 332359059 /nfs/dbraw/zinc/35/90/59/332359059.db2.gz PEULKIBMBVYEHM-NEPJUHHUSA-N 0 3 289.335 2.313 20 30 CEEDHN CN(C)C/C=C\C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000492055159 332380816 /nfs/dbraw/zinc/38/08/16/332380816.db2.gz BSRJHCBLITYBDC-RVHKNYROSA-N 0 3 297.402 2.403 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC000177348510 333057723 /nfs/dbraw/zinc/05/77/23/333057723.db2.gz KMLCWMBENXKFOZ-UKRRQHHQSA-N 0 3 250.386 2.189 20 30 CEEDHN N#CC(C(=O)c1cncc(F)c1)c1nnc2n1CCCCC2 ZINC000177731447 333062521 /nfs/dbraw/zinc/06/25/21/333062521.db2.gz NWSUNYFUHJBUFH-GFCCVEGCSA-N 0 3 299.309 2.029 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000516763785 333081905 /nfs/dbraw/zinc/08/19/05/333081905.db2.gz DLOZJXPMWUJYHM-KRWDZBQOSA-N 0 3 299.418 2.494 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000184024935 333124659 /nfs/dbraw/zinc/12/46/59/333124659.db2.gz YEPRLZWQAQLRIL-OFQRWUPVSA-N 0 3 276.424 2.273 20 30 CEEDHN CC#CCCCC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000185656718 333146122 /nfs/dbraw/zinc/14/61/22/333146122.db2.gz ZDFFNNYDQUWHOL-KGLIPLIRSA-N 0 3 250.386 2.121 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000522256456 333273979 /nfs/dbraw/zinc/27/39/79/333273979.db2.gz BAOCYJSYOFEDND-VIFPVBQESA-N 0 3 268.263 2.106 20 30 CEEDHN CC(C)Oc1ccc(CCNC(=O)C(C)C#N)cc1 ZINC000522847194 333296603 /nfs/dbraw/zinc/29/66/03/333296603.db2.gz IYVYVBYIXVRGBI-GFCCVEGCSA-N 0 3 260.337 2.292 20 30 CEEDHN C=C(C)COCCNCc1cccc([N+](=O)[O-])c1 ZINC000125775538 333572800 /nfs/dbraw/zinc/57/28/00/333572800.db2.gz HRFDUQAGLCZZSI-UHFFFAOYSA-N 0 3 250.298 2.277 20 30 CEEDHN N#CC(C(=O)c1cccc([C@H]2CCOC2)c1)c1ccncn1 ZINC000546859796 334052040 /nfs/dbraw/zinc/05/20/40/334052040.db2.gz 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296.827 2.446 20 30 CEEDHN C#CCC1(O)CCN(Cc2cc(F)ccc2C)CC1 ZINC000880484116 629714789 /nfs/dbraw/zinc/71/47/89/629714789.db2.gz QAMZMNYCTMZLCP-UHFFFAOYSA-N 0 3 261.340 2.484 20 30 CEEDHN CCn1cnc(CN[C@H]2Cc3ccc(C#N)cc3C2)c1 ZINC000902639659 634758548 /nfs/dbraw/zinc/75/85/48/634758548.db2.gz QXDQIUURFIQNGH-HNNXBMFYSA-N 0 3 266.348 2.032 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccsc2C#N)C1 ZINC000909436772 629858160 /nfs/dbraw/zinc/85/81/60/629858160.db2.gz UWGOYZUHEASTSB-LLVKDONJSA-N 0 3 277.393 2.174 20 30 CEEDHN CCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000796634410 629953061 /nfs/dbraw/zinc/95/30/61/629953061.db2.gz SJGURPPYRMYCOC-MRVPVSSYSA-N 0 3 250.685 2.397 20 30 CEEDHN C[C@@H]([NH2+][C@H]1CCCN([O-])C1=O)[C@@H]1C[C@H]1c1cccs1 ZINC000895158819 629975233 /nfs/dbraw/zinc/97/52/33/629975233.db2.gz OOLFAJLSVGGVLJ-KXNHARMFSA-N 0 3 280.393 2.210 20 30 CEEDHN CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895159062 629976073 /nfs/dbraw/zinc/97/60/73/629976073.db2.gz 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/nfs/dbraw/zinc/42/75/67/631427567.db2.gz ISQWITPZXCUUIB-UHFFFAOYSA-N 0 3 251.374 2.132 20 30 CEEDHN C=CCN1CCN(CN(CC)[C@@H](C)C(C)C)C1=O ZINC000839975204 631443067 /nfs/dbraw/zinc/44/30/67/631443067.db2.gz HQDDPHSAFVKLAA-ZDUSSCGKSA-N 0 3 253.390 2.234 20 30 CEEDHN C[C@H]1[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)CCN1C ZINC000925311069 631770559 /nfs/dbraw/zinc/77/05/59/631770559.db2.gz CJAHPGVZEVBOEA-TVQRCGJNSA-N 0 3 292.770 2.426 20 30 CEEDHN C#Cc1ccc(C(=O)N2CCCN(C)C[C@@H]2CC)cc1 ZINC000897630756 631835939 /nfs/dbraw/zinc/83/59/39/631835939.db2.gz HRQFBHCAHLYQER-INIZCTEOSA-N 0 3 270.376 2.224 20 30 CEEDHN C[C@@H](CC(C)(C)C#N)NCc1cnn(CCF)c1 ZINC000897731634 631906708 /nfs/dbraw/zinc/90/67/08/631906708.db2.gz CGKURRXBCRSLON-NSHDSACASA-N 0 3 252.337 2.271 20 30 CEEDHN Cn1cnc(CNC2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000808386003 631954474 /nfs/dbraw/zinc/95/44/74/631954474.db2.gz VBWHIDZEBOYOKC-UHFFFAOYSA-N 0 3 295.390 2.050 20 30 CEEDHN C#Cc1ccc(C(=O)N(C)CCN2CCCCC2)cc1 ZINC000898098649 632063624 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ZINC000989954740 632289586 /nfs/dbraw/zinc/28/95/86/632289586.db2.gz RSYZUNMYEOLOFO-UKRRQHHQSA-N 0 3 260.337 2.192 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H](C)C3CC3)CCC[C@@H]12 ZINC000990150867 632320770 /nfs/dbraw/zinc/32/07/70/632320770.db2.gz RUGOPNHJKHZKOC-YSVLISHTSA-N 0 3 274.408 2.169 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)C3CC(F)(F)C3)CCC[C@H]12 ZINC000990175286 632322991 /nfs/dbraw/zinc/32/29/91/632322991.db2.gz INMCWSBWGISIAL-ZFWWWQNUSA-N 0 3 296.361 2.168 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)C3=CCCC3)CCC[C@H]12 ZINC000990222208 632327587 /nfs/dbraw/zinc/32/75/87/632327587.db2.gz JBYBQDDCFBOBLI-DOTOQJQBSA-N 0 3 272.392 2.233 20 30 CEEDHN CC[C@@H](C#N)OC(=O)C1CCCN(c2ccccc2)C1=O ZINC000814611268 632869146 /nfs/dbraw/zinc/86/91/46/632869146.db2.gz JSMBXPPEUVUMBU-KBPBESRZSA-N 0 3 286.331 2.275 20 30 CEEDHN C#Cc1ccc(NC(=S)NC2CCN(C)CC2)cc1 ZINC000899730045 632968209 /nfs/dbraw/zinc/96/82/09/632968209.db2.gz FFLZFMOAVJCUER-UHFFFAOYSA-N 0 3 273.405 2.049 20 30 CEEDHN Cc1cc(C#N)cc(C)c1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000900041939 633379375 /nfs/dbraw/zinc/37/93/75/633379375.db2.gz WIMSETHWKDVJGH-JKSUJKDBSA-N 0 3 297.402 2.484 20 30 CEEDHN C#CCC1(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)CCCCC1 ZINC000816953755 633568421 /nfs/dbraw/zinc/56/84/21/633568421.db2.gz NELUXBUWLVABSX-HUUCEWRRSA-N 0 3 274.408 2.123 20 30 CEEDHN CC[C@H](O)CNN=C1CCCCc2ccc(N)cc21 ZINC000817329166 633629504 /nfs/dbraw/zinc/62/95/04/633629504.db2.gz SSNVWIYZOCOGLG-ZDUSSCGKSA-N 0 3 261.369 2.060 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCC1CCCCCCC1 ZINC000818085558 633857413 /nfs/dbraw/zinc/85/74/13/633857413.db2.gz ZCESOBKYRYZCGY-AWEZNQCLSA-N 0 3 265.401 2.484 20 30 CEEDHN CCCN(Cc1ccccc1O)C(=O)[C@@H](N)CCCC#N ZINC000818103250 633869219 /nfs/dbraw/zinc/86/92/19/633869219.db2.gz QPGSJOQZCUKPPK-AWEZNQCLSA-N 0 3 289.379 2.152 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@]1(C)CCCc2ccccc21 ZINC000818584560 633951669 /nfs/dbraw/zinc/95/16/69/633951669.db2.gz OTZGJAIARDVUML-LJQANCHMSA-N 0 3 298.430 2.352 20 30 CEEDHN C#CCN(C)CCCNC(=O)CO[C@H]1CCCC[C@H]1CC ZINC000818589277 633952862 /nfs/dbraw/zinc/95/28/62/633952862.db2.gz VFRKAECHOBTJOQ-CVEARBPZSA-N 0 3 294.439 2.043 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1csc(CC(C)C)n1 ZINC000818603348 633956184 /nfs/dbraw/zinc/95/61/84/633956184.db2.gz ZFQDXNIVJJGQFG-UHFFFAOYSA-N 0 3 293.436 2.027 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000818611903 633959892 /nfs/dbraw/zinc/95/98/92/633959892.db2.gz HVDUXSDOXQYBDF-GJZGRUSLSA-N 0 3 264.413 2.274 20 30 CEEDHN Cc1cc(C(C#N)C(=O)C=C[C@@H]2CCCO2)nc(C)n1 ZINC000819941327 634292394 /nfs/dbraw/zinc/29/23/94/634292394.db2.gz KETMLUIVCWCLAA-AAAGKOELSA-N 0 3 271.320 2.005 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cn(CCC)nn1 ZINC000902979683 634917210 /nfs/dbraw/zinc/91/72/10/634917210.db2.gz VEQXBWKAPNFEKJ-YDHLFZDLSA-N 0 3 278.400 2.320 20 30 CEEDHN CC[C@@H](N[C@H](C)C(=O)NCCF)c1cccc(C#N)c1 ZINC000902981099 634917869 /nfs/dbraw/zinc/91/78/69/634917869.db2.gz HRVUENKJADRTLZ-BXUZGUMPSA-N 0 3 277.343 2.073 20 30 CEEDHN CCN1CCCN(C(=O)c2cc(C#N)ccc2C)[C@@H](C)C1 ZINC000822569679 634944860 /nfs/dbraw/zinc/94/48/60/634944860.db2.gz WIQJZZJZEQHWFV-AWEZNQCLSA-N 0 3 285.391 2.423 20 30 CEEDHN C[C@H](NC[C@@H](CO)Cc1ccoc1)c1cc(C#N)ccn1 ZINC000903086089 634962576 /nfs/dbraw/zinc/96/25/76/634962576.db2.gz CMUPKVPXPVHIPH-WFASDCNBSA-N 0 3 285.347 2.048 20 30 CEEDHN CO[C@@H]1CCOC[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000903299230 635046644 /nfs/dbraw/zinc/04/66/44/635046644.db2.gz IKAZRFPHPIALIQ-GVDBMIGSSA-N 0 3 286.375 2.329 20 30 CEEDHN CN(Cc1ccnc(C#N)c1)C[C@@](C)(O)c1ccccc1 ZINC000823604841 635226400 /nfs/dbraw/zinc/22/64/00/635226400.db2.gz FNWSCEPFAAHKTK-QGZVFWFLSA-N 0 3 281.359 2.293 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)C1(C#N)CCSCC1 ZINC000824659000 635472354 /nfs/dbraw/zinc/47/23/54/635472354.db2.gz VKONIKNWPKBLNS-GFCCVEGCSA-N 0 3 295.452 2.012 20 30 CEEDHN COc1cccc(C)c1/C=C1\C(=O)c2ncnn2C1C ZINC000905083401 635798715 /nfs/dbraw/zinc/79/87/15/635798715.db2.gz CUCFAEHSJYDCFH-VPMLRQHESA-N 0 3 269.304 2.436 20 30 CEEDHN C#CC[C@@H](NC[C@@](C)(O)C(F)F)c1ccccc1 ZINC000905192291 635859178 /nfs/dbraw/zinc/85/91/78/635859178.db2.gz YOHQFTHPUIXQPN-TZMCWYRMSA-N 0 3 253.292 2.357 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC1(c2ccccc2C)CC1 ZINC000827113918 636220097 /nfs/dbraw/zinc/22/00/97/636220097.db2.gz BIPHCCRYVBUETD-UHFFFAOYSA-N 0 3 299.418 2.238 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CNCc1nccc2c1CCCC2 ZINC000905518505 636317640 /nfs/dbraw/zinc/31/76/40/636317640.db2.gz YJLKZWCNNRPWBA-AWEZNQCLSA-N 0 3 287.407 2.351 20 30 CEEDHN C#Cc1cnc(NC[C@H](c2ccc(F)cc2)N(C)C)nc1 ZINC000827426532 636318072 /nfs/dbraw/zinc/31/80/72/636318072.db2.gz TZLFMGVRERWYMN-OAHLLOKOSA-N 0 3 284.338 2.312 20 30 CEEDHN CCCCCCC[C@H](C)CNC(=O)C[C@@H]1CNCCO1 ZINC000827498571 636336034 /nfs/dbraw/zinc/33/60/34/636336034.db2.gz PUFKBRLZEWGXLC-LSDHHAIUSA-N 0 3 284.444 2.478 20 30 CEEDHN C#C[C@@H](NCc1cnc2cccc(C)n12)C1CCOCC1 ZINC000827564610 636354692 /nfs/dbraw/zinc/35/46/92/636354692.db2.gz DRZCAYBTOILOHU-MRXNPFEDSA-N 0 3 283.375 2.161 20 30 CEEDHN C#C[C@@H](NCc1ccc([N+](=O)[O-])cc1C)C1CCOCC1 ZINC000827564656 636354835 /nfs/dbraw/zinc/35/48/35/636354835.db2.gz FDBBCZFDVKGYHO-MRXNPFEDSA-N 0 3 288.347 2.421 20 30 CEEDHN C#CCC[N@@H+](CCOC)Cc1cc(F)ccc1[O-] ZINC000827823868 636433523 /nfs/dbraw/zinc/43/35/23/636433523.db2.gz WWDJOTPLYPADAN-UHFFFAOYSA-N 0 3 251.301 2.003 20 30 CEEDHN C#CCC[N@H+](CCOC)Cc1cc(F)ccc1[O-] ZINC000827823868 636433530 /nfs/dbraw/zinc/43/35/30/636433530.db2.gz WWDJOTPLYPADAN-UHFFFAOYSA-N 0 3 251.301 2.003 20 30 CEEDHN C#CCCN1CCN(C[C@@H]2CCCCC2(F)F)CC1 ZINC000828519187 636616982 /nfs/dbraw/zinc/61/69/82/636616982.db2.gz IKOPKXCRFUMMFU-AWEZNQCLSA-N 0 3 270.367 2.453 20 30 CEEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)NC(CC)CC)C1 ZINC000829773593 636926787 /nfs/dbraw/zinc/92/67/87/636926787.db2.gz GSNWONHDVKEHHD-KBPBESRZSA-N 0 3 264.413 2.415 20 30 CEEDHN C#CC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000830342846 637042385 /nfs/dbraw/zinc/04/23/85/637042385.db2.gz DNXKTIWPRZGSEC-UHFFFAOYSA-N 0 3 281.359 2.223 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C)ccc1OC ZINC000876547381 650317996 /nfs/dbraw/zinc/31/79/96/650317996.db2.gz QWYKMJQXKZBNPE-JTQLQIEISA-N 0 3 268.744 2.412 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000876555098 650323794 /nfs/dbraw/zinc/32/37/94/650323794.db2.gz LYGSMOYAHIRMPY-IUCAKERBSA-N 0 3 284.709 2.257 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000876575802 650340307 /nfs/dbraw/zinc/34/03/07/650340307.db2.gz TXGQRFDNOVBFRP-ZETCQYMHSA-N 0 3 288.804 2.244 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)COc1ccccc1 ZINC000876607058 650356616 /nfs/dbraw/zinc/35/66/16/650356616.db2.gz OHGDCRFSGDWZRL-YPMHNXCESA-N 0 3 282.771 2.040 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCc1ccc(OC)cc1 ZINC000876609336 650358002 /nfs/dbraw/zinc/35/80/02/650358002.db2.gz RBDAIOUKCJIBSM-CQSZACIVSA-N 0 3 296.798 2.214 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000876625978 650366135 /nfs/dbraw/zinc/36/61/35/650366135.db2.gz KXZIIMRIZXDNGC-SNVBAGLBSA-N 0 3 270.764 2.047 20 30 CEEDHN C=C(Br)CN[C@H](C)C1(OC)CCOCC1 ZINC000834566395 637870543 /nfs/dbraw/zinc/87/05/43/637870543.db2.gz MJGRVMXAJMFGDF-SNVBAGLBSA-N 0 3 278.190 2.069 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000876649586 650374915 /nfs/dbraw/zinc/37/49/15/650374915.db2.gz ADJHGEUSTYTGJU-OLZOCXBDSA-N 0 3 282.746 2.399 20 30 CEEDHN CCO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(OCC#N)cc1 ZINC000834902781 637982983 /nfs/dbraw/zinc/98/29/83/637982983.db2.gz CSDSEYKSZGEULG-DAXOMENPSA-N 0 3 290.363 2.043 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCOc2ccc(F)cc21 ZINC000876658429 650382611 /nfs/dbraw/zinc/38/26/11/650382611.db2.gz WDPXJZIMXQPLPX-RYUDHWBXSA-N 0 3 298.745 2.235 20 30 CEEDHN CN(C)c1ccc(C=NN[C@@H]2CCOC2(C)C)cc1 ZINC000835014317 638021333 /nfs/dbraw/zinc/02/13/33/638021333.db2.gz FXRMRGFGHNQRNW-CQSZACIVSA-N 0 3 261.369 2.244 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC1CC1)CC1CC1 ZINC000876669469 650389679 /nfs/dbraw/zinc/38/96/79/650389679.db2.gz NQNCFMKHUBWAJG-GFCCVEGCSA-N 0 3 256.777 2.105 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2cccc(F)c2)CC1 ZINC000876676047 650394809 /nfs/dbraw/zinc/39/48/09/650394809.db2.gz JJIRFAZWCQGBCD-LBPRGKRZSA-N 0 3 282.746 2.401 20 30 CEEDHN CN(C)Cc1cccc(C(=O)OCC(C)(C)C#N)c1 ZINC000835286046 638166544 /nfs/dbraw/zinc/16/65/44/638166544.db2.gz ZPYAVSYJXOLXAD-UHFFFAOYSA-N 0 3 260.337 2.455 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)Oc1ccccc1C ZINC000876684461 650397814 /nfs/dbraw/zinc/39/78/14/650397814.db2.gz NOJWPKFPGQYRDV-STQMWFEESA-N 0 3 296.798 2.348 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCOCc1ccccc1 ZINC000876703789 650406545 /nfs/dbraw/zinc/40/65/45/650406545.db2.gz NYVBPJXHJPQLBZ-CQSZACIVSA-N 0 3 296.798 2.132 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(N(C)C(C)=O)cc1 ZINC000911971317 638505027 /nfs/dbraw/zinc/50/50/27/638505027.db2.gz POTULSTXEMGQER-OAHLLOKOSA-N 0 3 289.379 2.291 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1cccnc1 ZINC000876787290 650431019 /nfs/dbraw/zinc/43/10/19/650431019.db2.gz GDANOVRNCPILBT-OLZOCXBDSA-N 0 3 279.771 2.215 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCC1(CC)CCCC1 ZINC000836363322 638611196 /nfs/dbraw/zinc/61/11/96/638611196.db2.gz YNGNWBKJDIEDMX-UHFFFAOYSA-N 0 3 279.428 2.211 20 30 CEEDHN CN1CCN(c2ccnc(C#N)c2)[C@@H](Cc2ccccc2)C1 ZINC000912238141 638611389 /nfs/dbraw/zinc/61/13/89/638611389.db2.gz VMAJHBQNIPDQEE-SFHVURJKSA-N 0 3 292.386 2.316 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000912225860 638615149 /nfs/dbraw/zinc/61/51/49/638615149.db2.gz MYUQELSBVNDGQQ-HOTGVXAUSA-N 0 3 288.391 2.270 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CCC[C@@H]1CC ZINC000836491010 638649355 /nfs/dbraw/zinc/64/93/55/638649355.db2.gz FMHGMJCSGHDMES-LSDHHAIUSA-N 0 3 279.428 2.067 20 30 CEEDHN CCCCCCCC[C@@H](N)C(=O)NC1CCOCC1 ZINC000912438268 638685921 /nfs/dbraw/zinc/68/59/21/638685921.db2.gz LZEHULQGGDIKNY-CQSZACIVSA-N 0 3 270.417 2.360 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCCSC(F)(F)F ZINC000912474316 638704181 /nfs/dbraw/zinc/70/41/81/638704181.db2.gz BIDAGXGOBQKTIP-MRVPVSSYSA-N 0 3 270.320 2.039 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](CC)c1ccncc1 ZINC000876886282 650474045 /nfs/dbraw/zinc/47/40/45/650474045.db2.gz UWXIOLNBJRFSGI-CHWSQXEVSA-N 0 3 281.787 2.461 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1c(C)n[nH]c1C ZINC000876900797 650478562 /nfs/dbraw/zinc/47/85/62/650478562.db2.gz RFBVDRAJYHKFBX-NEPJUHHUSA-N 0 3 296.802 2.160 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)CC3CC(F)(F)C3)CCC[C@H]12 ZINC000991448322 639262998 /nfs/dbraw/zinc/26/29/98/639262998.db2.gz QUSRNWVCTJGALR-ZFWWWQNUSA-N 0 3 296.361 2.168 20 30 CEEDHN C#C[C@@H](NCc1ccc(N(C)C)cc1C)[C@H]1CCCO1 ZINC000840938673 639592784 /nfs/dbraw/zinc/59/27/84/639592784.db2.gz QBUWPTONQUEAFY-IAGOWNOFSA-N 0 3 272.392 2.331 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(CC(C)C)[nH]n1 ZINC000876986313 650520083 /nfs/dbraw/zinc/52/00/83/650520083.db2.gz BMZLNKSDTUGSHZ-SNVBAGLBSA-N 0 3 270.764 2.017 20 30 CEEDHN CCCCCCN(C)CC(=O)NCC1(C#N)CCC1 ZINC000841468840 639770963 /nfs/dbraw/zinc/77/09/63/639770963.db2.gz MBMBBVLIFMVDRT-UHFFFAOYSA-N 0 3 265.401 2.309 20 30 CEEDHN CC(=CN=NC1=NCCN1)Cc1ccccc1OC(F)F ZINC000841658934 639825645 /nfs/dbraw/zinc/82/56/45/639825645.db2.gz FXMAVBWUEVIEGZ-VECMSXJQSA-N 0 3 294.305 2.226 20 30 CEEDHN C=CC[C@H](NC(=O)N1CCN[C@@H](C)[C@@H]1C)c1ccncc1 ZINC000841825109 639872983 /nfs/dbraw/zinc/87/29/83/639872983.db2.gz KYAMKXVYZCNKLV-YDHLFZDLSA-N 0 3 288.395 2.091 20 30 CEEDHN C#CCCCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000174094415 639898118 /nfs/dbraw/zinc/89/81/18/639898118.db2.gz MPSLGHRJMIVPDW-MRXNPFEDSA-N 0 3 287.407 2.310 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1NCC1(N(C)C)CC1 ZINC000842047361 639930041 /nfs/dbraw/zinc/93/00/41/639930041.db2.gz VVMLYVZPGGBMFX-UHFFFAOYSA-N 0 3 257.337 2.267 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@@H]1CC=CCC1 ZINC000877032246 650539276 /nfs/dbraw/zinc/53/92/76/650539276.db2.gz IFWOJFWTIZWYCL-NEPJUHHUSA-N 0 3 256.777 2.319 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@H]3Cc4ccccc43)CCC[C@@H]12 ZINC000992155791 639976188 /nfs/dbraw/zinc/97/61/88/639976188.db2.gz SMDFBYZCJVCCPT-YQVWRLOYSA-N 0 3 294.398 2.073 20 30 CEEDHN CCN(C)c1ccc(C(C)=NN(C)[C@H](C)CO)cc1 ZINC000842539826 639989683 /nfs/dbraw/zinc/98/96/83/639989683.db2.gz DTRIYGRKRGZPEP-GFCCVEGCSA-N 0 3 263.385 2.179 20 30 CEEDHN CO[C@H](CC(C)C)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000842284540 639996870 /nfs/dbraw/zinc/99/68/70/639996870.db2.gz LUZMJFGXKGKCOC-GXTWGEPZSA-N 0 3 275.352 2.331 20 30 CEEDHN CC(C)(CO)CCCNCc1cc(C#N)cnc1Cl ZINC000877059127 650552597 /nfs/dbraw/zinc/55/25/97/650552597.db2.gz RDGRSTQPMOXEDD-UHFFFAOYSA-N 0 3 281.787 2.495 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCC(=O)C1 ZINC000842676876 640146862 /nfs/dbraw/zinc/14/68/62/640146862.db2.gz PBLYJGDJRXAATO-PWSUYJOCSA-N 0 3 281.315 2.119 20 30 CEEDHN CNC(=O)C(C#N)C(=O)CCCc1ccc(SC)cc1 ZINC000842688904 640150242 /nfs/dbraw/zinc/15/02/42/640150242.db2.gz WWCMWDJMQJNNPR-ZDUSSCGKSA-N 0 3 290.388 2.186 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000877061073 650554833 /nfs/dbraw/zinc/55/48/33/650554833.db2.gz XOKWLCOWNQDLHA-NOHGZBONSA-N 0 3 256.777 2.009 20 30 CEEDHN CCC(=O)N[C@@H](C)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842940113 640225597 /nfs/dbraw/zinc/22/55/97/640225597.db2.gz XKFUEONDZIXUDZ-WCBMZHEXSA-N 0 3 291.376 2.111 20 30 CEEDHN Cc1cccc([C@@H](O)CNCc2cccc(C#N)n2)c1 ZINC000877091839 650568446 /nfs/dbraw/zinc/56/84/46/650568446.db2.gz RCVLVLHBBCFNJE-INIZCTEOSA-N 0 3 267.332 2.085 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc[nH]2)[C@@H]1C ZINC000993009875 640401439 /nfs/dbraw/zinc/40/14/39/640401439.db2.gz LDLYGBHLHAVQKW-STQMWFEESA-N 0 3 261.369 2.174 20 30 CEEDHN C#CC[C@H]1CCCN(Cc2cc(C(=O)OC)c(C)n2C)C1 ZINC000843422571 640422734 /nfs/dbraw/zinc/42/27/34/640422734.db2.gz GOIIHHSPJYLLCB-AWEZNQCLSA-N 0 3 288.391 2.355 20 30 CEEDHN C=CCN1CCC[C@@H](NC(=O)CC2CCC2)[C@@H]1C ZINC000993137531 640475231 /nfs/dbraw/zinc/47/52/31/640475231.db2.gz KKPVXNVCEKVGJV-GXTWGEPZSA-N 0 3 250.386 2.332 20 30 CEEDHN COCCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193402814 640526788 /nfs/dbraw/zinc/52/67/88/640526788.db2.gz KBLIFYMLZZTECV-GFCCVEGCSA-N 0 3 294.738 2.414 20 30 CEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccncc2C)[C@H]1C ZINC000993320569 640600796 /nfs/dbraw/zinc/60/07/96/640600796.db2.gz XZMRIOSNWKBBOG-GDBMZVCRSA-N 0 3 287.407 2.088 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)cc(C)n2)[C@H]1C ZINC000993496373 640650635 /nfs/dbraw/zinc/65/06/35/640650635.db2.gz ACPQTWXZPNNDNF-HZPDHXFCSA-N 0 3 299.418 2.304 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2[nH]c(C)cc2C)[C@H]1C ZINC000993490969 640653651 /nfs/dbraw/zinc/65/36/51/640653651.db2.gz UOADUHYEMIYRPB-HUUCEWRRSA-N 0 3 287.407 2.238 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccncc2CC)[C@H]1C ZINC000993515643 640653786 /nfs/dbraw/zinc/65/37/86/640653786.db2.gz STNJNJPKEOTKAR-RHSMWYFYSA-N 0 3 299.418 2.250 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C)c(C)n2)[C@@H]1C ZINC000993624043 640664779 /nfs/dbraw/zinc/66/47/79/640664779.db2.gz RAXOJUDOEPJFTN-JKSUJKDBSA-N 0 3 299.418 2.304 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2occc2CC)[C@@H]1C ZINC000993785293 640679011 /nfs/dbraw/zinc/67/90/11/640679011.db2.gz DSMGJTBCIDACBE-DZGCQCFKSA-N 0 3 288.391 2.448 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccn(C)c2C)[C@H]1C ZINC000993789306 640680109 /nfs/dbraw/zinc/68/01/09/640680109.db2.gz QIMUUUBRWUWZLF-ZBFHGGJFSA-N 0 3 289.423 2.492 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C2CC3(CC3)C2)[C@H]1C ZINC000993815587 640680354 /nfs/dbraw/zinc/68/03/54/640680354.db2.gz JOXQVZIEFDREOK-HIFRSBDPSA-N 0 3 274.408 2.169 20 30 CEEDHN C[C@@H](CCC#N)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370969 640695209 /nfs/dbraw/zinc/69/52/09/640695209.db2.gz LMRINXFCWQALQI-WFASDCNBSA-N 0 3 257.337 2.216 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C(C2CC2)C2CC2)[C@@H]1C ZINC000994190395 640698746 /nfs/dbraw/zinc/69/87/46/640698746.db2.gz PNIDLFRGDYLAJE-XJKSGUPXSA-N 0 3 288.435 2.415 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000916946819 640832964 /nfs/dbraw/zinc/83/29/64/640832964.db2.gz MHOBLJKEGQBESR-MELADBBJSA-N 0 3 288.322 2.163 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)CC1 ZINC000917092136 640849093 /nfs/dbraw/zinc/84/90/93/640849093.db2.gz JPTPEOKFLMTHFT-DMRZNYOFSA-N 0 3 291.439 2.371 20 30 CEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000845452612 640978006 /nfs/dbraw/zinc/97/80/06/640978006.db2.gz WAAQCKJHNKDZIV-AYRXBEOTSA-N 0 3 286.375 2.356 20 30 CEEDHN C=CC[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1C)c1ccncc1 ZINC000919013342 641006067 /nfs/dbraw/zinc/00/60/67/641006067.db2.gz CYYOYZHWRRCZOV-CFVMTHIKSA-N 0 3 288.395 2.091 20 30 CEEDHN CC(C)(C)N1CC[C@](F)(C(=O)NCC2(C#N)CCCC2)C1 ZINC000846348688 641277771 /nfs/dbraw/zinc/27/77/71/641277771.db2.gz SGQLCLFDFNQGFR-MRXNPFEDSA-N 0 3 295.402 2.399 20 30 CEEDHN Cc1cc(C#N)ccc1N[C@@H](C)CCN1CCN(C)CC1 ZINC000846751261 641411877 /nfs/dbraw/zinc/41/18/77/641411877.db2.gz BTFJWYCUGJIHEP-HNNXBMFYSA-N 0 3 286.423 2.305 20 30 CEEDHN CCOC(CN(CC)[C@@H]1CC[C@@H](C#N)C1)OCC ZINC000846977655 641505971 /nfs/dbraw/zinc/50/59/71/641505971.db2.gz WERMAXWKYYEDSU-CHWSQXEVSA-N 0 3 254.374 2.400 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCC[C@H]1C=CCC1 ZINC000877308736 650668022 /nfs/dbraw/zinc/66/80/22/650668022.db2.gz YJQGIEAKYQAGDS-KBPBESRZSA-N 0 3 263.385 2.260 20 30 CEEDHN C=CCN(CC(=O)N1CCO[C@@H](C)C1)CC1CCCCC1 ZINC000069859733 641608469 /nfs/dbraw/zinc/60/84/69/641608469.db2.gz LAYRFSUJHIVMDI-HNNXBMFYSA-N 0 3 294.439 2.302 20 30 CEEDHN COCCNC(=O)C(C#N)C(=O)CCC1CCCCCC1 ZINC000847624987 641709084 /nfs/dbraw/zinc/70/90/84/641709084.db2.gz ZLXMDCKAUWGXRA-AWEZNQCLSA-N 0 3 294.395 2.208 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](c2nc(C)cs2)C1 ZINC000877350692 650685557 /nfs/dbraw/zinc/68/55/57/650685557.db2.gz GNFWMAVKGDLCLK-MNOVXSKESA-N 0 3 299.827 2.237 20 30 CEEDHN C[C@H](C[S@](C)=O)N(C)CCCOc1ccc(C#N)cc1 ZINC000185112394 641937051 /nfs/dbraw/zinc/93/70/51/641937051.db2.gz PALNFIQDEAMKLY-XCLFUZPHSA-N 0 3 294.420 2.026 20 30 CEEDHN C#C[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000848276778 641944893 /nfs/dbraw/zinc/94/48/93/641944893.db2.gz INFUVWZZHXFDOP-XJKSGUPXSA-N 0 3 280.387 2.071 20 30 CEEDHN c1ccn2nc(N=NC3CCCN4CCCC[C@H]34)nc2c1 ZINC000848409601 641981212 /nfs/dbraw/zinc/98/12/12/641981212.db2.gz ZIKXVEKZYTWZOD-CYBMUJFWSA-N 0 3 284.367 2.146 20 30 CEEDHN Cc1cc(N(C)C)ccc1C=NNCCCn1ccnc1 ZINC000848416250 641983625 /nfs/dbraw/zinc/98/36/25/641983625.db2.gz DQBQBKBXBRRVGZ-UHFFFAOYSA-N 0 3 285.395 2.271 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(C#C)cc2)CC1 ZINC000997255510 642236585 /nfs/dbraw/zinc/23/65/85/642236585.db2.gz MZXAOZTUMWNGHY-OAHLLOKOSA-N 0 3 294.398 2.131 20 30 CEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccoc2C)CC1 ZINC000997474402 642274979 /nfs/dbraw/zinc/27/49/79/642274979.db2.gz KGUQTPYCQZCMEH-ZDUSSCGKSA-N 0 3 288.391 2.442 20 30 CEEDHN N#Cc1ccc(F)c(NC(=O)NCCN2CCCCC2)c1 ZINC000888354016 642283602 /nfs/dbraw/zinc/28/36/02/642283602.db2.gz NILOKFHHJNVCGY-UHFFFAOYSA-N 0 3 290.342 2.305 20 30 CEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cncc(C)c2)CC1 ZINC000997973969 642350010 /nfs/dbraw/zinc/35/00/10/642350010.db2.gz DGVXGTKPMNVCHK-QGZVFWFLSA-N 0 3 299.418 2.340 20 30 CEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ncccc2C)CC1 ZINC000997976865 642351124 /nfs/dbraw/zinc/35/11/24/642351124.db2.gz OMDCIUWIMUVBLS-MRXNPFEDSA-N 0 3 299.418 2.340 20 30 CEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC2(F)F)CC1 ZINC000998035255 642359442 /nfs/dbraw/zinc/35/94/42/642359442.db2.gz DQDWXAKEBLEZMZ-KGLIPLIRSA-N 0 3 298.377 2.368 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccccc2O)C1 ZINC000998576555 642420455 /nfs/dbraw/zinc/42/04/55/642420455.db2.gz GFWBWHAWAGUISR-GFCCVEGCSA-N 0 3 294.782 2.339 20 30 CEEDHN CC(C)NC(=O)CN(C)CCCCC1(C#N)CCC1 ZINC000929228942 642468862 /nfs/dbraw/zinc/46/88/62/642468862.db2.gz FEMORDRDSIEZCT-UHFFFAOYSA-N 0 3 265.401 2.307 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc3ncsc3c2)C1 ZINC001016176314 642543545 /nfs/dbraw/zinc/54/35/45/642543545.db2.gz WBZCOCCUXBKEBL-CYBMUJFWSA-N 0 3 299.399 2.124 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3C[C@H]3C(C)C)CC2)CC1 ZINC001000303823 642581254 /nfs/dbraw/zinc/58/12/54/642581254.db2.gz DPJAVEGAGRTAHD-JKSUJKDBSA-N 0 3 288.435 2.273 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001016221288 642645057 /nfs/dbraw/zinc/64/50/57/642645057.db2.gz ICPCIHBJDFFZRP-QGZVFWFLSA-N 0 3 282.387 2.003 20 30 CEEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCCO[C@@H]2CC)CC1 ZINC001000769510 642645888 /nfs/dbraw/zinc/64/58/88/642645888.db2.gz FVOQOKSSQBEPPC-JKSUJKDBSA-N 0 3 292.423 2.126 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2cc3cnccc3o2)CC1 ZINC001000907522 642663194 /nfs/dbraw/zinc/66/31/94/642663194.db2.gz VYESAIQABWNUQK-UHFFFAOYSA-N 0 3 297.358 2.376 20 30 CEEDHN Cc1cc(C#N)cc(C)c1CN[C@H]1CC(=O)N(C2CC2)C1 ZINC000921813213 642674970 /nfs/dbraw/zinc/67/49/70/642674970.db2.gz CLZLNZCAKRAVOJ-AWEZNQCLSA-N 0 3 283.375 2.028 20 30 CEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC001001111547 642688055 /nfs/dbraw/zinc/68/80/55/642688055.db2.gz RKNHUAPOGRNLSQ-CVEARBPZSA-N 0 3 292.423 2.126 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2ccccc2OC)CC1 ZINC001001393381 642715693 /nfs/dbraw/zinc/71/56/93/642715693.db2.gz QGZPGGWDQBJDFH-UHFFFAOYSA-N 0 3 286.375 2.243 20 30 CEEDHN CC#CCN1CCC(CNC(=O)c2ccc(C)cc2)CC1 ZINC001002071500 642753377 /nfs/dbraw/zinc/75/33/77/642753377.db2.gz YGNZEDOCDPVASX-UHFFFAOYSA-N 0 3 284.403 2.460 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCF ZINC000850739664 642769234 /nfs/dbraw/zinc/76/92/34/642769234.db2.gz XIXAIKKLDBZYDD-SNVBAGLBSA-N 0 3 259.284 2.499 20 30 CEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCCF ZINC000850758239 642775942 /nfs/dbraw/zinc/77/59/42/642775942.db2.gz BAGPIZHIVHDYBF-NSHDSACASA-N 0 3 292.310 2.482 20 30 CEEDHN C#CCN(C(=O)N(C)C1CCCCC1)C1CCN(C)CC1 ZINC000922024036 642846179 /nfs/dbraw/zinc/84/61/79/642846179.db2.gz ZSCZHKKNJFYOOB-UHFFFAOYSA-N 0 3 291.439 2.400 20 30 CEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCCF)c1 ZINC000850976376 642861396 /nfs/dbraw/zinc/86/13/96/642861396.db2.gz CGGOYPOMJZGNLH-ZDUSSCGKSA-N 0 3 276.311 2.070 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)nc(C)c2)CC1 ZINC001002914140 642863348 /nfs/dbraw/zinc/86/33/48/642863348.db2.gz RAPIKEPMQVNAOY-UHFFFAOYSA-N 0 3 287.407 2.469 20 30 CEEDHN C[C@@H](CCC#N)CN1CCN(c2ccnc(F)c2)CC1 ZINC000877565383 650792532 /nfs/dbraw/zinc/79/25/32/650792532.db2.gz GLGMKYCATNMEHC-ZDUSSCGKSA-N 0 3 276.359 2.283 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001016383167 642921732 /nfs/dbraw/zinc/92/17/32/642921732.db2.gz FDNPWBSBMSIVBB-ABHNRTSZSA-N 0 3 296.414 2.394 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ncc(Cl)s2)CC1 ZINC001003303819 642923272 /nfs/dbraw/zinc/92/32/72/642923272.db2.gz SRMSEGJBDFKQIH-UHFFFAOYSA-N 0 3 285.800 2.177 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H](C)n2c(C)ccc2C)CC1 ZINC001004205335 643115473 /nfs/dbraw/zinc/11/54/73/643115473.db2.gz BNWOEGJDLNZOCC-OAHLLOKOSA-N 0 3 289.423 2.433 20 30 CEEDHN CCCCCCCS(=O)(=O)N[C@@H]1CCN(CCC)C1 ZINC000851821708 643181444 /nfs/dbraw/zinc/18/14/44/643181444.db2.gz YIPLOELMHUWDTD-CQSZACIVSA-N 0 3 290.473 2.361 20 30 CEEDHN N#Cc1cc(CNC[C@H]2CCC3(CCOCC3)O2)cs1 ZINC000922806400 643274638 /nfs/dbraw/zinc/27/46/38/643274638.db2.gz VSCVFLUWKMEBAU-CYBMUJFWSA-N 0 3 292.404 2.438 20 30 CEEDHN C[C@H]1C[C@@H](NCc2nc(C#N)cs2)CCS1 ZINC000922838807 643291262 /nfs/dbraw/zinc/29/12/62/643291262.db2.gz OEDQWBFMLYZFOZ-IUCAKERBSA-N 0 3 253.396 2.388 20 30 CEEDHN C[C@H](C#N)OCCN1CCC[C@@H](c2ccccn2)C1 ZINC000852084556 643293873 /nfs/dbraw/zinc/29/38/73/643293873.db2.gz WECTUTCBEJFOOO-ZIAGYGMSSA-N 0 3 259.353 2.190 20 30 CEEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1 ZINC000852098425 643300212 /nfs/dbraw/zinc/30/02/12/643300212.db2.gz MOLKXZFRRIWSPU-XJKSGUPXSA-N 0 3 258.365 2.083 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H](C)c1cccs1 ZINC000852097663 643300831 /nfs/dbraw/zinc/30/08/31/643300831.db2.gz TVOYDHMSENSJNO-SMDDNHRTSA-N 0 3 264.394 2.317 20 30 CEEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000852098100 643300936 /nfs/dbraw/zinc/30/09/36/643300936.db2.gz FNCYEGZTVITOMK-GUYCJALGSA-N 0 3 290.382 2.264 20 30 CEEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1 ZINC000852098424 643301017 /nfs/dbraw/zinc/30/10/17/643301017.db2.gz MOLKXZFRRIWSPU-CZUORRHYSA-N 0 3 258.365 2.083 20 30 CEEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000852098949 643302146 /nfs/dbraw/zinc/30/21/46/643302146.db2.gz ZTQGULFSZBNFJU-IXYNUQLISA-N 0 3 264.413 2.271 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)N1CCCC[C@H]1CC ZINC000852098626 643302612 /nfs/dbraw/zinc/30/26/12/643302612.db2.gz RNVINQMQPXFNAX-UKRRQHHQSA-N 0 3 250.386 2.169 20 30 CEEDHN C#CCOCCN(Cc1ccc(C)nc1)CC1CC1 ZINC000852206618 643350708 /nfs/dbraw/zinc/35/07/08/643350708.db2.gz NQBCCUUODQSIEB-UHFFFAOYSA-N 0 3 258.365 2.252 20 30 CEEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccoc2)CC1 ZINC001005110232 643387581 /nfs/dbraw/zinc/38/75/81/643387581.db2.gz CWLDFNBRBDWTLZ-UHFFFAOYSA-N 0 3 262.353 2.392 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2scnc2C)CC1 ZINC001005140458 643390377 /nfs/dbraw/zinc/39/03/77/643390377.db2.gz CUDNWIYLAHNJFQ-UHFFFAOYSA-N 0 3 279.409 2.174 20 30 CEEDHN N#CC[C@@H]1CCCN(C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000852319731 643393347 /nfs/dbraw/zinc/39/33/47/643393347.db2.gz REZUIBXHTYJFGM-QWHCGFSZSA-N 0 3 262.353 2.098 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)CC2CCC2)CC1 ZINC001005212997 643394592 /nfs/dbraw/zinc/39/45/92/643394592.db2.gz VMUHRIDJULRKGV-UHFFFAOYSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCN([C@H]1CCN(C2CCOCC2)C1=O)C(C)(C)C ZINC000852554011 643469628 /nfs/dbraw/zinc/46/96/28/643469628.db2.gz AATUGWTXUPKHLY-AWEZNQCLSA-N 0 3 280.412 2.053 20 30 CEEDHN CN(CC1=CCSC1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000852747458 643531677 /nfs/dbraw/zinc/53/16/77/643531677.db2.gz JGBWZPIPYUPHCR-OAHLLOKOSA-N 0 3 274.389 2.197 20 30 CEEDHN C#CCCN(CCOC)C[C@@H](O)c1cccc(Cl)c1 ZINC000852752431 643536510 /nfs/dbraw/zinc/53/65/10/643536510.db2.gz YHYMRIJMWYXAIN-OAHLLOKOSA-N 0 3 281.783 2.345 20 30 CEEDHN C=CCN1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC000923541509 643756897 /nfs/dbraw/zinc/75/68/97/643756897.db2.gz GVIIDPDRWFXRFI-KGLIPLIRSA-N 0 3 258.365 2.155 20 30 CEEDHN C=CCN(Cc1cc2c(cc1O)OCO2)[C@H](C)COC ZINC000853533254 643804680 /nfs/dbraw/zinc/80/46/80/643804680.db2.gz ZQBXBTCNPHUYCP-LLVKDONJSA-N 0 3 279.336 2.144 20 30 CEEDHN CC(=NOC[C@@H]1CCCCN1C(C)C)c1cnn(C)c1 ZINC000853660854 643852317 /nfs/dbraw/zinc/85/23/17/643852317.db2.gz LRWDFSMCVKBBPU-HNNXBMFYSA-N 0 3 278.400 2.424 20 30 CEEDHN C#C[C@@H](CC)NC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000854071071 643977090 /nfs/dbraw/zinc/97/70/90/643977090.db2.gz WCCOSQRSRNUORZ-AWEZNQCLSA-N 0 3 291.395 2.073 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@]1(C)CCCC[C@H]1C ZINC000838622613 643981005 /nfs/dbraw/zinc/98/10/05/643981005.db2.gz WMRZDTNKWDPFHT-ZBFHGGJFSA-N 0 3 279.428 2.210 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)CC[C@H]1CCCCO1 ZINC000111944262 643990375 /nfs/dbraw/zinc/99/03/75/643990375.db2.gz LGFJOXAVVGBQOX-KGLIPLIRSA-N 0 3 294.395 2.351 20 30 CEEDHN C=CCONC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000838712245 644001161 /nfs/dbraw/zinc/00/11/61/644001161.db2.gz QKVXQBBCMJUUPM-DZGCQCFKSA-N 0 3 289.379 2.066 20 30 CEEDHN C=CCONC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000838713505 644001796 /nfs/dbraw/zinc/00/17/96/644001796.db2.gz OJOXVUNVDUUZHQ-ZFWWWQNUSA-N 0 3 289.379 2.066 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)COC(C)(C)CC ZINC000838788460 644023436 /nfs/dbraw/zinc/02/34/36/644023436.db2.gz UDINESUIPGOMGU-GFCCVEGCSA-N 0 3 282.384 2.207 20 30 CEEDHN CS[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000103330083 644187282 /nfs/dbraw/zinc/18/72/82/644187282.db2.gz SHGXGRYEIKNSOJ-MWLCHTKSSA-N 0 3 262.334 2.085 20 30 CEEDHN Cc1ccccc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753937610 644297449 /nfs/dbraw/zinc/29/74/49/644297449.db2.gz FCAPIIFYPKDFLN-OKILXGFUSA-N 0 3 256.353 2.189 20 30 CEEDHN C#CCN1CCC(C(=O)NC(C)(C)CCC=C)CC1 ZINC000856374030 644653505 /nfs/dbraw/zinc/65/35/05/644653505.db2.gz JUGKGOZJNSNQLW-UHFFFAOYSA-N 0 3 262.397 2.193 20 30 CEEDHN COCC#CCN(CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000757657570 644831537 /nfs/dbraw/zinc/83/15/37/644831537.db2.gz WBOKZMSRUBPGJK-KRWDZBQOSA-N 0 3 293.382 2.467 20 30 CEEDHN C=CCN(C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)C(C)C ZINC000757792740 644846683 /nfs/dbraw/zinc/84/66/83/644846683.db2.gz QDSHINLINSCJMV-GXTWGEPZSA-N 0 3 265.401 2.075 20 30 CEEDHN C#CCOc1ccccc1CNC[C@H](O)CC(C)(C)C#N ZINC000857234566 644865166 /nfs/dbraw/zinc/86/51/66/644865166.db2.gz SJCFZEWZBHJWIR-OAHLLOKOSA-N 0 3 286.375 2.089 20 30 CEEDHN C#CCNC(=S)NC[C@H](c1ccsc1)N(CC)CC ZINC000758187519 644894252 /nfs/dbraw/zinc/89/42/52/644894252.db2.gz DGNDDDMMTAQXBR-CYBMUJFWSA-N 0 3 295.477 2.228 20 30 CEEDHN C=CC[C@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000877965985 650960749 /nfs/dbraw/zinc/96/07/49/650960749.db2.gz VLUKEMXJSNYLFH-ZDUSSCGKSA-N 0 3 256.353 2.040 20 30 CEEDHN C=C/C=C\CCN1CCN(c2cc(C#N)ccn2)CC1 ZINC000877965709 650961009 /nfs/dbraw/zinc/96/10/09/650961009.db2.gz MJPZNHWGKMNHBK-ARJAWSKDSA-N 0 3 268.364 2.208 20 30 CEEDHN C=C/C=C/CCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000877988278 650968443 /nfs/dbraw/zinc/96/84/43/650968443.db2.gz FNTIFLBXJRAYDF-ONEGZZNKSA-N 0 3 268.364 2.208 20 30 CEEDHN CC(C)N1CC(N=Nc2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000759201305 644997108 /nfs/dbraw/zinc/99/71/08/644997108.db2.gz LVCPECMRFDEFJV-JTQLQIEISA-N 0 3 277.328 2.118 20 30 CEEDHN CCCCCCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000858110760 645064579 /nfs/dbraw/zinc/06/45/79/645064579.db2.gz ICHZYRJCXZIRTF-CYBMUJFWSA-N 0 3 267.417 2.493 20 30 CEEDHN C=CC[C@@H](C)N1CCN(Cc2cscn2)CC1 ZINC000878031799 650978315 /nfs/dbraw/zinc/97/83/15/650978315.db2.gz HYCXCYVZHNTGEG-GFCCVEGCSA-N 0 3 251.399 2.225 20 30 CEEDHN C#CCCCC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000760081912 645109347 /nfs/dbraw/zinc/10/93/47/645109347.db2.gz ZDXOWVCBFVCAQX-MRXNPFEDSA-N 0 3 272.392 2.079 20 30 CEEDHN C#CC[C@H](COC)NCc1ccc([N+](=O)[O-])cc1C ZINC000858334690 645121775 /nfs/dbraw/zinc/12/17/75/645121775.db2.gz FRRGXANLACYYLX-CYBMUJFWSA-N 0 3 262.309 2.031 20 30 CEEDHN C#CC[C@@H](COC)NCc1ccc(O[C@H](C)COC)cc1 ZINC000858333998 645121982 /nfs/dbraw/zinc/12/19/82/645121982.db2.gz FOPAVQPPRMYYTG-ZBFHGGJFSA-N 0 3 291.391 2.228 20 30 CEEDHN C#CC[C@@H](COC)NCc1c[nH]c(-c2ccccc2)n1 ZINC000858334630 645122298 /nfs/dbraw/zinc/12/22/98/645122298.db2.gz CVQMVZUZXHXVFZ-AWEZNQCLSA-N 0 3 269.348 2.205 20 30 CEEDHN C#CC[C@@H](COC)NCc1cnc(-c2ccccc2)[nH]1 ZINC000858334630 645122303 /nfs/dbraw/zinc/12/23/03/645122303.db2.gz CVQMVZUZXHXVFZ-AWEZNQCLSA-N 0 3 269.348 2.205 20 30 CEEDHN C=CCN1CCC(NC(=O)OCCC(C)C)CC1 ZINC000858950942 645302025 /nfs/dbraw/zinc/30/20/25/645302025.db2.gz QVJLDWFJCRZMHW-UHFFFAOYSA-N 0 3 254.374 2.409 20 30 CEEDHN C[C@@H]1CC(N=Nc2ccnc3ccccc23)CN1C ZINC000761810395 645319266 /nfs/dbraw/zinc/31/92/66/645319266.db2.gz RUZDHSBDNILQIC-LLVKDONJSA-N 0 3 254.337 2.149 20 30 CEEDHN COC(=O)[C@H]1CCN(Cc2ccc(C)c(C#N)c2)[C@H]1C ZINC000859272677 645442381 /nfs/dbraw/zinc/44/23/81/645442381.db2.gz UGFIHIKFTWLKLQ-WFASDCNBSA-N 0 3 272.348 2.250 20 30 CEEDHN N#Cc1cccc(C2(NC[C@@H]3CC4(CC4)C(=O)O3)CC2)c1 ZINC000763729484 645571043 /nfs/dbraw/zinc/57/10/43/645571043.db2.gz GOGNAZAXKJYHMI-AWEZNQCLSA-N 0 3 282.343 2.233 20 30 CEEDHN C=CCC1([NH2+]CCCOC(=O)N=C(N)[O-])CCCCC1 ZINC000859743345 645588188 /nfs/dbraw/zinc/58/81/88/645588188.db2.gz AJQWAQXOILEUCU-UHFFFAOYSA-N 0 3 283.372 2.050 20 30 CEEDHN CCO[C@@H](C(=O)C(C#N)c1cc(C)nc(C)n1)C1CC1 ZINC000860466778 645799371 /nfs/dbraw/zinc/79/93/71/645799371.db2.gz WXOZGVXZVSFNSJ-IUODEOHRSA-N 0 3 273.336 2.085 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C23CC(C2)C3)c1 ZINC000860469446 645799903 /nfs/dbraw/zinc/79/99/03/645799903.db2.gz QTZJKOOMFWTGCT-RYCVTPFZSA-N 0 3 268.316 2.443 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)OC[C@@H]1CCCN1CCOC ZINC000861035382 645980310 /nfs/dbraw/zinc/98/03/10/645980310.db2.gz BLGZUKHBFQJRBY-KGLIPLIRSA-N 0 3 269.385 2.243 20 30 CEEDHN C=CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768447065 646123943 /nfs/dbraw/zinc/12/39/43/646123943.db2.gz LSIMOPGWPNBHAG-OAHLLOKOSA-N 0 3 275.348 2.216 20 30 CEEDHN CCCCCCCCC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861711065 646253189 /nfs/dbraw/zinc/25/31/89/646253189.db2.gz SCXPDTPLTLPQIU-HOTGVXAUSA-N 0 3 296.455 2.405 20 30 CEEDHN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccccc1N(C)C ZINC000769583685 646288572 /nfs/dbraw/zinc/28/85/72/646288572.db2.gz FFXULOROFUGNDE-HUUCEWRRSA-N 0 3 299.422 2.337 20 30 CEEDHN C#CC[C@H]1CCN(Cc2cc(C(=O)OC)c(C)o2)C1 ZINC000862445185 646463614 /nfs/dbraw/zinc/46/36/14/646463614.db2.gz NQWCCUXGDNAYAS-LBPRGKRZSA-N 0 3 261.321 2.220 20 30 CEEDHN CC(C)(O)CNN=Cc1ccc(N2CCCCC2)cc1 ZINC000863140606 646654182 /nfs/dbraw/zinc/65/41/82/646654182.db2.gz NWAQFTUWAYCQPQ-UHFFFAOYSA-N 0 3 275.396 2.371 20 30 CEEDHN C#CCCCCC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000773210765 646716383 /nfs/dbraw/zinc/71/63/83/646716383.db2.gz XWFZHOBUZITENV-KRWDZBQOSA-N 0 3 286.419 2.469 20 30 CEEDHN N#Cc1csc(CNC[C@@H]2COC3(CCCC3)O2)c1 ZINC000773419577 646736851 /nfs/dbraw/zinc/73/68/51/646736851.db2.gz XPAQLPWIKDZLKI-GFCCVEGCSA-N 0 3 278.377 2.395 20 30 CEEDHN C=C1CC(C)(C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000864061720 646878114 /nfs/dbraw/zinc/87/81/14/646878114.db2.gz ABWZISGQYIXUEJ-UHFFFAOYSA-N 0 3 250.386 2.285 20 30 CEEDHN C#CCNC(=O)CN[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000775175443 646928156 /nfs/dbraw/zinc/92/81/56/646928156.db2.gz AZBUGOHXGLZWPD-QGZVFWFLSA-N 0 3 288.366 2.396 20 30 CEEDHN C#C[C@H](NCc1ccc(OCC)cc1O)[C@@H]1CCCO1 ZINC000775341387 646942838 /nfs/dbraw/zinc/94/28/38/646942838.db2.gz MFBIMBXLFXUHEH-HOCLYGCPSA-N 0 3 275.348 2.061 20 30 CEEDHN C#C[C@H]([NH2+]Cc1ccc(OCC)cc1[O-])[C@@H]1CCCO1 ZINC000775341387 646942840 /nfs/dbraw/zinc/94/28/40/646942840.db2.gz MFBIMBXLFXUHEH-HOCLYGCPSA-N 0 3 275.348 2.061 20 30 CEEDHN CCN(C)c1ccc(C(C)=NN[C@H](C)COC)cc1 ZINC000777890591 647186698 /nfs/dbraw/zinc/18/66/98/647186698.db2.gz DVKCSTJFOFASSK-GFCCVEGCSA-N 0 3 263.385 2.491 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cn(C2CC2)cn1 ZINC000865552863 647356936 /nfs/dbraw/zinc/35/69/36/647356936.db2.gz ITNVKTIVCJHMTD-WFASDCNBSA-N 0 3 261.369 2.289 20 30 CEEDHN C=CCC(C)(C)CNCc1cn(C[C@H]2CCCO2)nn1 ZINC000865579265 647368498 /nfs/dbraw/zinc/36/84/98/647368498.db2.gz WHYHTDBCLNISFZ-CQSZACIVSA-N 0 3 278.400 2.149 20 30 CEEDHN C=CCCC(C)(C)NCc1cn(C[C@@H]2CCCO2)nn1 ZINC000865636484 647399603 /nfs/dbraw/zinc/39/96/03/647399603.db2.gz YYHULGOBBAETBW-AWEZNQCLSA-N 0 3 278.400 2.292 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000865643027 647403161 /nfs/dbraw/zinc/40/31/61/647403161.db2.gz QIWOYSORTYMGME-RDJZCZTQSA-N 0 3 285.391 2.281 20 30 CEEDHN C=CCCn1cc(CN[C@H](C2CCC2)[C@@H]2CCOC2)nn1 ZINC000865759833 647454873 /nfs/dbraw/zinc/45/48/73/647454873.db2.gz SFQKDLIGMMKCIM-GDBMZVCRSA-N 0 3 290.411 2.149 20 30 CEEDHN CCCC[C@H](ON=C(C)C)C(=O)NC[C@H]1CCCN1C ZINC000780980135 647487596 /nfs/dbraw/zinc/48/75/96/647487596.db2.gz MNEUJRMAQWACNL-KGLIPLIRSA-N 0 3 283.416 2.168 20 30 CEEDHN Cc1cc(CN[C@@H]2Cc3ccc(C#N)cc3C2)on1 ZINC000865848543 647492124 /nfs/dbraw/zinc/49/21/24/647492124.db2.gz UFLFLPONFBGWGK-CQSZACIVSA-N 0 3 253.305 2.112 20 30 CEEDHN Cn1ncc(CN[C@H]2Cc3ccc(C#N)cc3C2)c1Cl ZINC000865848382 647492201 /nfs/dbraw/zinc/49/22/01/647492201.db2.gz SXHQLARFFKMEKO-AWEZNQCLSA-N 0 3 286.766 2.202 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000783348000 647709360 /nfs/dbraw/zinc/70/93/60/647709360.db2.gz VCTYAUZFYYLNJD-JHJVBQTASA-N 0 3 292.379 2.007 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCC(=O)[C@@H](C)C1 ZINC000783348001 647709583 /nfs/dbraw/zinc/70/95/83/647709583.db2.gz VCTYAUZFYYLNJD-RWMBFGLXSA-N 0 3 292.379 2.007 20 30 CEEDHN CC[C@](C)(NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000784352133 647839935 /nfs/dbraw/zinc/83/99/35/647839935.db2.gz LMJJSBDHCMZYBO-INIZCTEOSA-N 0 3 285.391 2.464 20 30 CEEDHN N#Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)co1 ZINC000867985936 648011011 /nfs/dbraw/zinc/01/10/11/648011011.db2.gz RVGDQLACCYCXKS-OAHLLOKOSA-N 0 3 297.314 2.064 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2F)CC1 ZINC000868284335 648089127 /nfs/dbraw/zinc/08/91/27/648089127.db2.gz UXXKAVLVUAJPDG-KGLIPLIRSA-N 0 3 283.391 2.217 20 30 CEEDHN C#C[C@H](C)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000805886988 648290519 /nfs/dbraw/zinc/29/05/19/648290519.db2.gz OMFQMHBSWXQZNH-ZDUSSCGKSA-N 0 3 257.333 2.461 20 30 CEEDHN C#CC[C@H](OC(=O)C1CCN(C2CC2)CC1)C(C)C ZINC000805891377 648308121 /nfs/dbraw/zinc/30/81/21/648308121.db2.gz RAIFIBYSRIIOGT-HNNXBMFYSA-N 0 3 263.381 2.452 20 30 CEEDHN CC[C@@H](NC(C)=O)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000870224766 648734995 /nfs/dbraw/zinc/73/49/95/648734995.db2.gz KCXPEYAHOQMQBO-WDEREUQCSA-N 0 3 293.392 2.357 20 30 CEEDHN C=C(CN(C)C)C(=O)N(C[C@H]1CCC[C@H](C)C1)OC ZINC000794330376 648854712 /nfs/dbraw/zinc/85/47/12/648854712.db2.gz OTCQVZROEBJPLZ-JSGCOSHPSA-N 0 3 268.401 2.321 20 30 CEEDHN CN1CCN(C(=O)c2cccc(CC#N)c2)CCC1(C)C ZINC000871152301 649014461 /nfs/dbraw/zinc/01/44/61/649014461.db2.gz AOHZNIYGOMETJC-UHFFFAOYSA-N 0 3 285.391 2.309 20 30 CEEDHN CN1CCC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])cc1C#N ZINC000872778770 649485851 /nfs/dbraw/zinc/48/58/51/649485851.db2.gz JRENYIKDSQAWLL-LSDHHAIUSA-N 0 3 286.335 2.139 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874826331 649842595 /nfs/dbraw/zinc/84/25/95/649842595.db2.gz 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/nfs/dbraw/zinc/88/58/31/651885831.db2.gz IVUYSECZNPVRRW-OAHLLOKOSA-N 0 3 288.395 2.400 20 30 CEEDHN Cc1nc(C#N)cc(N2CCN(CC3CCCCC3)CC2)n1 ZINC000881858955 651901958 /nfs/dbraw/zinc/90/19/58/651901958.db2.gz OIGYKHMKHLGYIX-UHFFFAOYSA-N 0 3 299.422 2.359 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)CCCc1sccc1C ZINC000129428592 651952137 /nfs/dbraw/zinc/95/21/37/651952137.db2.gz CNTCLMGAVPTSQA-GFCCVEGCSA-N 0 3 290.388 2.390 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cnc(-c2ccncc2)s1 ZINC000883156310 652382368 /nfs/dbraw/zinc/38/23/68/652382368.db2.gz KRWSTAGDMRTRJW-ZDUSSCGKSA-N 0 3 287.388 2.069 20 30 CEEDHN CC[C@@H](N[C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(C#N)cc1 ZINC000883375233 652448035 /nfs/dbraw/zinc/44/80/35/652448035.db2.gz GJYVKPQUZKHKJD-RBSFLKMASA-N 0 3 292.404 2.175 20 30 CEEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1cc(C(=O)OC)co1 ZINC000883391340 652453032 /nfs/dbraw/zinc/45/30/32/652453032.db2.gz IKDGQQWDBOAVLF-PWSUYJOCSA-N 0 3 267.325 2.044 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CC(=O)N(CC3CC3)C1)CC2 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CC#CCN1CC[C@H]2CCN(C(=O)C3(C)CC=CC3)C[C@H]21 ZINC001042222264 803560722 /nfs/dbraw/zinc/56/07/22/803560722.db2.gz RABFVXYOIWWZPR-JKSUJKDBSA-N 0 3 286.419 2.289 20 30 CEEDHN N#Cc1c[nH]c2cc(-n3nc(CN)c4ccccc43)cnc12 ZINC001167697725 803572104 /nfs/dbraw/zinc/57/21/04/803572104.db2.gz CWYFRCMPZVUGCB-UHFFFAOYSA-N 0 3 288.314 2.232 20 30 CEEDHN C#CCCCC(=O)NCC1CN(CCc2ccccc2)C1 ZINC001267680327 803655557 /nfs/dbraw/zinc/65/55/57/803655557.db2.gz YPHDNHUYPQVSHF-UHFFFAOYSA-N 0 3 284.403 2.081 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)OCCCC ZINC001267704422 803665897 /nfs/dbraw/zinc/66/58/97/803665897.db2.gz PLWSAGSGCGOQDU-JYJNAYRXSA-N 0 3 294.439 2.443 20 30 CEEDHN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)C ZINC001267704963 803665945 /nfs/dbraw/zinc/66/59/45/803665945.db2.gz JKQVLBROIIJPST-GJZGRUSLSA-N 0 3 262.397 2.121 20 30 CEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccnc1C ZINC001267711625 803670462 /nfs/dbraw/zinc/67/04/62/803670462.db2.gz BMKXYDDYXNBHNF-IRXDYDNUSA-N 0 3 299.418 2.184 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C=CCC1(C(=O)N(C)[C@H]2CCN(C[C@H](C)O)C2)CCCC1 ZINC001269301994 805119926 /nfs/dbraw/zinc/11/99/26/805119926.db2.gz PDDBDPPIRMSAPE-GJZGRUSLSA-N 0 3 294.439 2.036 20 30 CEEDHN CC#CCNC1(CNC(=O)CC2CCCCC2)CC1 ZINC001269367985 805143785 /nfs/dbraw/zinc/14/37/85/805143785.db2.gz DQMYBGUDFAAEHJ-UHFFFAOYSA-N 0 3 262.397 2.219 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)NCc1cnn(C)c1 ZINC001269466403 805173929 /nfs/dbraw/zinc/17/39/29/805173929.db2.gz LMWRNDZQFWTVEB-ZBFHGGJFSA-N 0 3 292.427 2.007 20 30 CEEDHN CC#CCNC1(CNC(=O)c2ccoc2C2CC2)CC1 ZINC001269474970 805174938 /nfs/dbraw/zinc/17/49/38/805174938.db2.gz IMTUFKIFPLUGQO-UHFFFAOYSA-N 0 3 272.348 2.032 20 30 CEEDHN CC#CCNC1(CNC(=O)Cc2sc(C)cc2C)CC1 ZINC001269526454 805186999 /nfs/dbraw/zinc/18/69/99/805186999.db2.gz KUOXDCYVWALGJZ-UHFFFAOYSA-N 0 3 290.432 2.169 20 30 CEEDHN C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001028743373 805197295 /nfs/dbraw/zinc/19/72/95/805197295.db2.gz PVMAJUIGGJGNIV-XKQJLSEDSA-N 0 3 297.402 2.152 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc3ccccn3c2)C1 ZINC001028846259 805305483 /nfs/dbraw/zinc/30/54/83/805305483.db2.gz IUVCPYGBOOOJAB-HNNXBMFYSA-N 0 3 295.386 2.014 20 30 CEEDHN CC[C@@H](F)CNC[C@@H]1CCCN1C(=O)C#CC(C)(C)C ZINC001270049581 805320560 /nfs/dbraw/zinc/32/05/60/805320560.db2.gz CAUGRTSNZOOMAM-KGLIPLIRSA-N 0 3 282.403 2.365 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(C(F)F)cc2)C1 ZINC001028869750 805324034 /nfs/dbraw/zinc/32/40/34/805324034.db2.gz DNRFMNBHHPKFIB-LBPRGKRZSA-N 0 3 292.329 2.309 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2c(F)cccc2F)C1 ZINC001028950977 805381055 /nfs/dbraw/zinc/38/10/55/805381055.db2.gz RKXVNPAFORPALT-LBPRGKRZSA-N 0 3 292.329 2.040 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(C(F)F)o2)C1 ZINC001028957957 805384755 /nfs/dbraw/zinc/38/47/55/805384755.db2.gz DUPRJXCUHDDAMO-LLVKDONJSA-N 0 3 296.317 2.292 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)C2CCC(C(F)F)CC2)C1 ZINC001028961242 805386358 /nfs/dbraw/zinc/38/63/58/805386358.db2.gz SUVARNVOZXDAPK-HSBZDZAISA-N 0 3 298.377 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CEEDHN C#CCCN1CC[C@H](NC(=O)c2cc[nH]c2C2CCC2)[C@H]1C ZINC001088858332 807220332 /nfs/dbraw/zinc/22/03/32/807220332.db2.gz XHNRGRNISRJVNX-CJNGLKHVSA-N 0 3 299.418 2.498 20 30 CEEDHN COC(=O)CCN(Cc1cc(C#N)ccn1)C1CCCC1 ZINC001232479891 807264997 /nfs/dbraw/zinc/26/49/97/807264997.db2.gz AWWGUBUJUWSADZ-UHFFFAOYSA-N 0 3 287.363 2.261 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3nccn3c2)[C@H]1C ZINC001088972759 807299295 /nfs/dbraw/zinc/29/92/95/807299295.db2.gz AVHPHJGHNSLMJO-HIFRSBDPSA-N 0 3 298.390 2.103 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CC3CCC2CC3)[C@H]1C ZINC001089063664 807326838 /nfs/dbraw/zinc/32/68/38/807326838.db2.gz NGXCWJKORBYYNH-WXGPCXSOSA-N 0 3 288.435 2.415 20 30 CEEDHN Cc1ccc(CN2CCC[C@@H](O)[C@@H](C)C2)c(C#N)c1 ZINC001232961912 807345107 /nfs/dbraw/zinc/34/51/07/807345107.db2.gz JOMCSCUCSZXDHX-XJKSGUPXSA-N 0 3 258.365 2.460 20 30 CEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3oncc3C)CCC[C@@H]12 ZINC000992366601 807486277 /nfs/dbraw/zinc/48/62/77/807486277.db2.gz GALXJNHWEASPSI-CJNGLKHVSA-N 0 3 289.379 2.286 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cc(F)ccc2F)C1 ZINC001046378190 807574120 /nfs/dbraw/zinc/57/41/20/807574120.db2.gz LHDNHGMEVOKLJK-MRXNPFEDSA-N 0 3 292.329 2.182 20 30 CEEDHN C#CC[C@H](COC)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000716801920 815148674 /nfs/dbraw/zinc/14/86/74/815148674.db2.gz WBQAVPOCARZTSS-GFCCVEGCSA-N 0 3 295.766 2.239 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001046785660 807851319 /nfs/dbraw/zinc/85/13/19/807851319.db2.gz IOUGJNJMIPWVCV-BFYDXBDKSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001046785661 807851950 /nfs/dbraw/zinc/85/19/50/807851950.db2.gz IOUGJNJMIPWVCV-ZOBUZTSGSA-N 0 3 276.424 2.417 20 30 CEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC001089617513 808075991 /nfs/dbraw/zinc/07/59/91/808075991.db2.gz AJGFKHVTBYDKLD-HUUCEWRRSA-N 0 3 294.439 2.206 20 30 CEEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC ZINC001089748454 808113141 /nfs/dbraw/zinc/11/31/41/808113141.db2.gz RMHACCZNCHCJLE-CRWXNKLISA-N 0 3 282.815 2.318 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(CCCCC)C[C@H]1OC ZINC001213273301 808138666 /nfs/dbraw/zinc/13/86/66/808138666.db2.gz JMBCVAGGSPZWSX-ZIAGYGMSSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2ncc(Cl)s2)C1 ZINC001031843481 808166749 /nfs/dbraw/zinc/16/67/49/808166749.db2.gz BLLWQLGNDJOSOX-UHFFFAOYSA-N 0 3 285.800 2.034 20 30 CEEDHN C#CCCN1CC(CNC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001031891268 808189173 /nfs/dbraw/zinc/18/91/73/808189173.db2.gz GJWUTFNDTDPZIU-UHFFFAOYSA-N 0 3 295.386 2.161 20 30 CEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)Cc2ccc[nH]2)cc1 ZINC001272707733 808227528 /nfs/dbraw/zinc/22/75/28/808227528.db2.gz HGQHJUBVDKMGSF-AWEZNQCLSA-N 0 3 295.386 2.157 20 30 CEEDHN C=CCN1CCC2(CCN(Cc3ncccc3C)CC2)C1=O ZINC001272716158 808249570 /nfs/dbraw/zinc/24/95/70/808249570.db2.gz XNWVXPTVFHCBHB-UHFFFAOYSA-N 0 3 299.418 2.391 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)/C=C(/C)C1CC1 ZINC001032298836 808404295 /nfs/dbraw/zinc/40/42/95/808404295.db2.gz AEHCIFYBEZRAOB-YTKQLVESSA-N 0 3 260.381 2.204 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](C)n1cccc1 ZINC001171601340 815204065 /nfs/dbraw/zinc/20/40/65/815204065.db2.gz XCJHNPUMVKYLDH-CYBMUJFWSA-N 0 3 283.803 2.288 20 30 CEEDHN C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107338073 808424416 /nfs/dbraw/zinc/42/44/16/808424416.db2.gz KZDAXSOIYIJZRT-WTKJSXFESA-N 0 3 295.814 2.259 20 30 CEEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)C2CCC2)C1 ZINC001107679179 808495551 /nfs/dbraw/zinc/49/55/51/808495551.db2.gz YYNLMWCEEHXIHD-PBHICJAKSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)CCC)C1 ZINC001107689646 808502546 /nfs/dbraw/zinc/50/25/46/808502546.db2.gz URRBEHQGQOUFSI-GOEBONIOSA-N 0 3 282.428 2.348 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC1(C)C ZINC001032360495 808524978 /nfs/dbraw/zinc/52/49/78/808524978.db2.gz LMIVXFYXVLZFRU-IHRRRGAJSA-N 0 3 262.397 2.284 20 30 CEEDHN CCCCCCCCOC(=O)NC[C@H]1CNCCO1 ZINC001239315733 808566038 /nfs/dbraw/zinc/56/60/38/808566038.db2.gz UWCQFCVDRIZLSB-CYBMUJFWSA-N 0 3 272.389 2.062 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)CC3CCCC3)C2)C1 ZINC001041032813 808583860 /nfs/dbraw/zinc/58/38/60/808583860.db2.gz JBUXGEZYSMKYGE-KRWDZBQOSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3CC34CCC4)C2)C1 ZINC001040426984 808619029 /nfs/dbraw/zinc/61/90/29/808619029.db2.gz ZROPLOXGFYHSQS-RDJZCZTQSA-N 0 3 286.419 2.124 20 30 CEEDHN Cc1cccnc1[C@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC001120476985 815226591 /nfs/dbraw/zinc/22/65/91/815226591.db2.gz JWJPAORLTOYEMK-QWHCGFSZSA-N 0 3 259.353 2.095 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccn1 ZINC001032557161 808695720 /nfs/dbraw/zinc/69/57/20/808695720.db2.gz NOKYHWAKDISXTM-IRXDYDNUSA-N 0 3 299.418 2.266 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(OC)CC1 ZINC001032593435 808719684 /nfs/dbraw/zinc/71/96/84/808719684.db2.gz GKIVEAMYXOVSLH-PYBGIAKNSA-N 0 3 292.423 2.053 20 30 CEEDHN C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)C)c1 ZINC001032617167 808734622 /nfs/dbraw/zinc/73/46/22/808734622.db2.gz OELOABSONFYZPI-IRXDYDNUSA-N 0 3 297.402 2.008 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001032676349 808784923 /nfs/dbraw/zinc/78/49/23/808784923.db2.gz QPXFXLVXJNBBHE-YHUYYLMFSA-N 0 3 274.408 2.284 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001038533163 808813398 /nfs/dbraw/zinc/81/33/98/808813398.db2.gz RPVUZNDHMWVSCZ-HNNXBMFYSA-N 0 3 287.407 2.387 20 30 CEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)CSC)C2 ZINC001120576227 815240055 /nfs/dbraw/zinc/24/00/55/815240055.db2.gz BATPXRDPQKFDKK-UHFFFAOYSA-N 0 3 288.844 2.119 20 30 CEEDHN CN1CC[C@]2(CCCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC001272910913 808857486 /nfs/dbraw/zinc/85/74/86/808857486.db2.gz GSNRTRQBPYYCEV-SFHVURJKSA-N 0 3 297.402 2.393 20 30 CEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2cocn2)C12CCC2 ZINC001078579120 808921554 /nfs/dbraw/zinc/92/15/54/808921554.db2.gz UWAONCRVXYCUAF-VXGBXAGGSA-N 0 3 295.770 2.058 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)CCC2CCCC2)[C@H](O)C1 ZINC001099644037 808953857 /nfs/dbraw/zinc/95/38/57/808953857.db2.gz DGQJWBRDCJBNGY-JKSUJKDBSA-N 0 3 294.439 2.084 20 30 CEEDHN C=CC(C)(C)CC(=O)NCCNCc1ccc(C#N)s1 ZINC001128241763 808999170 /nfs/dbraw/zinc/99/91/70/808999170.db2.gz DJJJNWIDKWDATQ-UHFFFAOYSA-N 0 3 291.420 2.428 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CC=CCC2)C1 ZINC001032899241 809111890 /nfs/dbraw/zinc/11/18/90/809111890.db2.gz CGYCIVDWJNCMLE-GJZGRUSLSA-N 0 3 262.397 2.452 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccc(C)o2)C1 ZINC001033018726 809146453 /nfs/dbraw/zinc/14/64/53/809146453.db2.gz MNAYLKSHRPFCFD-CQSZACIVSA-N 0 3 276.380 2.239 20 30 CEEDHN C[C@H]1C[C@H](NCc2ccccc2C#N)CCN1C(=O)C1CC1 ZINC001044408890 809166665 /nfs/dbraw/zinc/16/66/65/809166665.db2.gz RZROAOYGLDIWCC-SUMWQHHRSA-N 0 3 297.402 2.437 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCN(CC(=C)C)C1 ZINC001033087268 809172213 /nfs/dbraw/zinc/17/22/13/809172213.db2.gz UBHVIYIEWYRWIG-OAGGEKHMSA-N 0 3 292.423 2.076 20 30 CEEDHN C=C(C)[C@@H](CC(=O)NCC1(NCC#CC)CCC1)OCC ZINC001273091549 809207425 /nfs/dbraw/zinc/20/74/25/809207425.db2.gz WZYBQQBZGSUALL-OAHLLOKOSA-N 0 3 292.423 2.010 20 30 CEEDHN C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(CCCF)C2)cc1 ZINC001033322479 809268310 /nfs/dbraw/zinc/26/83/10/809268310.db2.gz LGCUITYNHCTADN-MRXNPFEDSA-N 0 3 288.366 2.174 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccoc2C2CC2)C1 ZINC001033363651 809281865 /nfs/dbraw/zinc/28/18/65/809281865.db2.gz KPICQFJEQFWSFJ-AWEZNQCLSA-N 0 3 286.375 2.327 20 30 CEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2ccc(F)c(F)c2)C1 ZINC001033368611 809284445 /nfs/dbraw/zinc/28/44/45/809284445.db2.gz LLSJLIFSYYESPU-ZDUSSCGKSA-N 0 3 294.345 2.226 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2cccc(C)c2)C1 ZINC001033389099 809292289 /nfs/dbraw/zinc/29/22/89/809292289.db2.gz WFXKDDCEYKOMGJ-KRWDZBQOSA-N 0 3 284.403 2.094 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001033444225 809303588 /nfs/dbraw/zinc/30/35/88/809303588.db2.gz QLPZBNSXDNWMQH-YESZJQIVSA-N 0 3 299.418 2.294 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc(F)c2)C1 ZINC001033736132 809397616 /nfs/dbraw/zinc/39/76/16/809397616.db2.gz YRUADKDERUICCJ-INIZCTEOSA-N 0 3 288.366 2.385 20 30 CEEDHN C=CC(C)(C)C(=O)NCC1(NCc2cccnc2)CCC1 ZINC001273135012 809458961 /nfs/dbraw/zinc/45/89/61/809458961.db2.gz ZRYYHARIHCEHLK-UHFFFAOYSA-N 0 3 287.407 2.422 20 30 CEEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2ocnc2CC)C1 ZINC001033946084 809464725 /nfs/dbraw/zinc/46/47/25/809464725.db2.gz CVWRZYZITSIZOK-CYBMUJFWSA-N 0 3 291.395 2.350 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2coc(CC)n2)C1 ZINC001034174587 809536526 /nfs/dbraw/zinc/53/65/26/809536526.db2.gz UJPDENOVOIELAL-ZDUSSCGKSA-N 0 3 291.395 2.397 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001034292467 809572036 /nfs/dbraw/zinc/57/20/36/809572036.db2.gz RLPXJIPYCQHWHW-HNNXBMFYSA-N 0 3 298.390 2.105 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001034368495 809588082 /nfs/dbraw/zinc/58/80/82/809588082.db2.gz KPZCRMFZEOEHHP-HNNXBMFYSA-N 0 3 298.390 2.333 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2=CCCCCC2)[C@@H](O)C1 ZINC001090220737 809628160 /nfs/dbraw/zinc/62/81/60/809628160.db2.gz CSHKPTGYSKWJDI-CVEARBPZSA-N 0 3 292.423 2.004 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001045606951 809710467 /nfs/dbraw/zinc/71/04/67/809710467.db2.gz OPHFJVGFJBVTQI-LSDHHAIUSA-N 0 3 276.424 2.273 20 30 CEEDHN C[C@@H](C#N)C(=O)N1CCC2(CCN(C/C=C/Cl)C2)CC1 ZINC001035165515 809757006 /nfs/dbraw/zinc/75/70/06/809757006.db2.gz QDLRQBKMSRLGII-NHEDYWLLSA-N 0 3 295.814 2.213 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccc(C)o1)CC2 ZINC001035644304 809800759 /nfs/dbraw/zinc/80/07/59/809800759.db2.gz WZGWALRTQDANMY-UHFFFAOYSA-N 0 3 286.375 2.149 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)C1CC(C)(C)C1)CC2 ZINC001035697375 809804805 /nfs/dbraw/zinc/80/48/05/809804805.db2.gz GHLHZUPNFLSNMW-UHFFFAOYSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H](C)C1)CC2 ZINC001035812727 809820569 /nfs/dbraw/zinc/82/05/69/809820569.db2.gz RAEKBQJBEUSEBF-HZPDHXFCSA-N 0 3 288.435 2.370 20 30 CEEDHN C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@H]21 ZINC001036652865 810007924 /nfs/dbraw/zinc/00/79/24/810007924.db2.gz ZAMDRMLJGBQCNA-UKRRQHHQSA-N 0 3 286.375 2.115 20 30 CEEDHN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@H]21 ZINC001036652865 810007930 /nfs/dbraw/zinc/00/79/30/810007930.db2.gz ZAMDRMLJGBQCNA-UKRRQHHQSA-N 0 3 286.375 2.115 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001079725102 810231249 /nfs/dbraw/zinc/23/12/49/810231249.db2.gz WVCGDWGLOBNHDE-XLNGHYISSA-N 0 3 299.418 2.198 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC001080043976 810245835 /nfs/dbraw/zinc/24/58/35/810245835.db2.gz UVPUMYWIFLSDIW-MLGOLLRUSA-N 0 3 298.390 2.189 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001080194953 810254134 /nfs/dbraw/zinc/25/41/34/810254134.db2.gz ZYVBSRFEDJZISK-HZSPNIEDSA-N 0 3 298.377 2.272 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC2CC(OCC)C2)C1 ZINC001080308019 810267175 /nfs/dbraw/zinc/26/71/75/810267175.db2.gz WLVOOLKDCPBGNI-PRLABOORSA-N 0 3 294.439 2.204 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2csc(C)n2)C1 ZINC001080319509 810271458 /nfs/dbraw/zinc/27/14/58/810271458.db2.gz KNHMXSWSWLRPTR-ZYHUDNBSSA-N 0 3 279.409 2.078 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001080485402 810285939 /nfs/dbraw/zinc/28/59/39/810285939.db2.gz UPFAMMKMLUTVJY-IUODEOHRSA-N 0 3 290.411 2.159 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001015419102 810289095 /nfs/dbraw/zinc/28/90/95/810289095.db2.gz VXPPKXHHCHUWNA-AWEZNQCLSA-N 0 3 262.397 2.027 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001080570440 810292361 /nfs/dbraw/zinc/29/23/61/810292361.db2.gz SESBVGUXTXAJKU-MXASKKJJSA-N 0 3 284.403 2.413 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001080796740 810310055 /nfs/dbraw/zinc/31/00/55/810310055.db2.gz PAUIBDBZHHMCFY-IJEWVQPXSA-N 0 3 272.392 2.413 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001080882168 810316672 /nfs/dbraw/zinc/31/66/72/810316672.db2.gz QZXLOALWOWWSKD-IUODEOHRSA-N 0 3 298.390 2.189 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2ncsc2C2CC2)C1 ZINC001015698358 810336462 /nfs/dbraw/zinc/33/64/62/810336462.db2.gz JTEVCHOZQPJOTP-GFCCVEGCSA-N 0 3 291.420 2.401 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001015741895 810343313 /nfs/dbraw/zinc/34/33/13/810343313.db2.gz PKRGBVMEZYNRFF-HNNXBMFYSA-N 0 3 270.376 2.131 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001015824798 810360815 /nfs/dbraw/zinc/36/08/15/810360815.db2.gz WOSWILLTOBITBU-QLFBSQMISA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)C[C@H]2CC=CCC2)[C@H](OC)C1 ZINC001082029510 810362645 /nfs/dbraw/zinc/36/26/45/810362645.db2.gz 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C=CCCC[C@H](N)C(=O)N(C)CCc1cccs1 ZINC001121968497 815372680 /nfs/dbraw/zinc/37/26/80/815372680.db2.gz VQSCCFVALAYOIA-ZDUSSCGKSA-N 0 3 266.410 2.433 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCN(CC)C[C@H]21 ZINC001084634955 810492417 /nfs/dbraw/zinc/49/24/17/810492417.db2.gz LNOXUVJRORDIOW-NFAWXSAZSA-N 0 3 250.386 2.141 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3cccnc3C)[C@@H]2C1 ZINC001084659702 810495366 /nfs/dbraw/zinc/49/53/66/810495366.db2.gz VYSSHZKSSJVHDC-IAGOWNOFSA-N 0 3 299.418 2.041 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)C(C)C)[C@@H]2C1 ZINC001084698111 810502622 /nfs/dbraw/zinc/50/26/22/810502622.db2.gz JUUCGLXLUNKCGP-RBSFLKMASA-N 0 3 264.413 2.387 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(C)C ZINC001017488219 810527980 /nfs/dbraw/zinc/52/79/80/810527980.db2.gz QUUCTTKYVVTWPV-HZSPNIEDSA-N 0 3 262.397 2.284 20 30 CEEDHN C[C@@H]1CCCN(C(=O)CCNCc2csc(C#N)c2)C1 ZINC001119677479 810533922 /nfs/dbraw/zinc/53/39/22/810533922.db2.gz HUSUYOOQJSEMTH-GFCCVEGCSA-N 0 3 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/nfs/dbraw/zinc/58/73/08/810587308.db2.gz LCXRXICQGRDLMB-BETUJISGSA-N 0 3 296.374 2.038 20 30 CEEDHN CC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C#N)ccc1F ZINC001085110035 810599345 /nfs/dbraw/zinc/59/93/45/810599345.db2.gz AIQGARTZDFABAP-HZPDHXFCSA-N 0 3 289.354 2.234 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCC1CC1 ZINC001231359836 810627576 /nfs/dbraw/zinc/62/75/76/810627576.db2.gz PULZYFOMQLPUMM-CQSZACIVSA-N 0 3 250.386 2.285 20 30 CEEDHN CN1CCCC[C@H]1CNC(=O)Nc1cccc(C#N)c1 ZINC001202790725 810636252 /nfs/dbraw/zinc/63/62/52/810636252.db2.gz OSTUOFFKCFTTLW-AWEZNQCLSA-N 0 3 272.352 2.164 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C2CCCCCCC2)C1 ZINC001019128570 810678496 /nfs/dbraw/zinc/67/84/96/810678496.db2.gz ODKWJTCJUARFLZ-HNNXBMFYSA-N 0 3 262.397 2.171 20 30 CEEDHN CC#CCNCCN(CC)C(=O)C1C(C)(C)C1(C)C ZINC001273312004 810688213 /nfs/dbraw/zinc/68/82/13/810688213.db2.gz RGAVAOXVRFZWHU-UHFFFAOYSA-N 0 3 264.413 2.130 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(F)c3ccccc23)C1 ZINC001019418553 810708021 /nfs/dbraw/zinc/70/80/21/810708021.db2.gz NWEKXSHKKLAWFG-ZDUSSCGKSA-N 0 3 296.345 2.416 20 30 CEEDHN CC(C)(C(=O)NCc1ccc(C#N)cc1)N1CCCCC1 ZINC000826779465 810735355 /nfs/dbraw/zinc/73/53/55/810735355.db2.gz KZOQXJWHVYCAKO-UHFFFAOYSA-N 0 3 285.391 2.439 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc(-c3ccccc3)co2)C1 ZINC001019892432 810746296 /nfs/dbraw/zinc/74/62/96/810746296.db2.gz JNKNRRWSQASNTD-INIZCTEOSA-N 0 3 294.354 2.384 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1[nH]cnc1C ZINC001085442175 810752694 /nfs/dbraw/zinc/75/26/94/810752694.db2.gz HZABIFPPZPJUDY-VXGBXAGGSA-N 0 3 296.802 2.101 20 30 CEEDHN C=CCN1CCN([C@H](C)CCO[C@@H](C)CC)CC1 ZINC001172340290 815396993 /nfs/dbraw/zinc/39/69/93/815396993.db2.gz JKSGJWZPTIIGNP-CABCVRRESA-N 0 3 254.418 2.384 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)NC[C@H]2CCCCN2C)C1 ZINC001122276554 815399150 /nfs/dbraw/zinc/39/91/50/815399150.db2.gz FHBNVAAWIWLBHB-UONOGXRCSA-N 0 3 265.401 2.078 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnc2[nH]ccc2c1 ZINC001038383290 810830513 /nfs/dbraw/zinc/83/05/13/810830513.db2.gz GWXYUGZLCUTXSO-OAHLLOKOSA-N 0 3 298.390 2.285 20 30 CEEDHN CCCCCCC[C@@H](CC)N1CCO[C@H](C(N)=O)C1 ZINC001172354327 815401347 /nfs/dbraw/zinc/40/13/47/815401347.db2.gz GKANMOLLNPJKSG-KGLIPLIRSA-N 0 3 270.417 2.312 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cccc(COC)c1 ZINC001038472066 810843966 /nfs/dbraw/zinc/84/39/66/810843966.db2.gz SDMFVDGAROCSKF-MRXNPFEDSA-N 0 3 288.391 2.213 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccn2ccnc2c1 ZINC001038510523 810852176 /nfs/dbraw/zinc/85/21/76/810852176.db2.gz NTMCFQRQECFKLT-OAHLLOKOSA-N 0 3 298.390 2.105 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)[nH]nc1Cl ZINC001085634854 810859737 /nfs/dbraw/zinc/85/97/37/810859737.db2.gz BZAWTIREAIHMCH-NSHDSACASA-N 0 3 296.802 2.094 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001038662687 810882493 /nfs/dbraw/zinc/88/24/93/810882493.db2.gz XPQOHTIXUYKHEF-RDJZCZTQSA-N 0 3 284.403 2.483 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(F)c[nH]1 ZINC001085728622 810890766 /nfs/dbraw/zinc/89/07/66/810890766.db2.gz CIAYPESUHSBYJM-ZDUSSCGKSA-N 0 3 279.359 2.266 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ncccc1C ZINC001122380425 815407352 /nfs/dbraw/zinc/40/73/52/815407352.db2.gz MDPOUJNPPAHDFL-GHMZBOCLSA-N 0 3 267.760 2.037 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)[nH]c1C ZINC001085846205 810939513 /nfs/dbraw/zinc/93/95/13/810939513.db2.gz DZRTWFAUNXLWJP-CQSZACIVSA-N 0 3 275.396 2.354 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001039069591 810979125 /nfs/dbraw/zinc/97/91/25/810979125.db2.gz HKDRAFLMVDZMRU-NEXGVSGLSA-N 0 3 288.435 2.435 20 30 CEEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2cc[nH]c2)C1 ZINC001039201530 810998949 /nfs/dbraw/zinc/99/89/49/810998949.db2.gz DBWLRWAJLVGBRD-IAGOWNOFSA-N 0 3 299.418 2.355 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)o1 ZINC001039324660 811009639 /nfs/dbraw/zinc/00/96/39/811009639.db2.gz AWMDLRWKSRWIFC-CABCVRRESA-N 0 3 286.375 2.290 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC=CC1 ZINC001039349710 811014355 /nfs/dbraw/zinc/01/43/55/811014355.db2.gz LHAHTZPICVQQCW-CVEARBPZSA-N 0 3 272.392 2.041 20 30 CEEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2ocnc2C)CC1 ZINC001273402215 811042795 /nfs/dbraw/zinc/04/27/95/811042795.db2.gz YUVIRVCZHLOCJD-CQSZACIVSA-N 0 3 291.395 2.420 20 30 CEEDHN CC(=O)N1CC[C@]2(C1)CCCN(Cc1cccc(C#N)c1)C2 ZINC001040025857 811072400 /nfs/dbraw/zinc/07/24/00/811072400.db2.gz UTUCUULEZWVQEX-GOSISDBHSA-N 0 3 297.402 2.393 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC001040082285 811083559 /nfs/dbraw/zinc/08/35/59/811083559.db2.gz CUEFWNFMMUYHQA-WBVHZDCISA-N 0 3 276.424 2.370 20 30 CEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3ocnc3C)C2)C1 ZINC001040136204 811091968 /nfs/dbraw/zinc/09/19/68/811091968.db2.gz FQYTUTLMDRYLQI-INIZCTEOSA-N 0 3 289.379 2.097 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC3(C)C)C2)C1 ZINC001040341795 811105007 /nfs/dbraw/zinc/10/50/07/811105007.db2.gz VIKATYYPGIEWCR-MAUKXSAKSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C3(C)CC=CC3)C2)C1 ZINC001040369594 811108022 /nfs/dbraw/zinc/10/80/22/811108022.db2.gz SFINEPOHSNHIDJ-GOSISDBHSA-N 0 3 286.419 2.290 20 30 CEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3oncc3C)C2)C1 ZINC001040476015 811111639 /nfs/dbraw/zinc/11/16/39/811111639.db2.gz SMXCFDHLCZTQKQ-MRXNPFEDSA-N 0 3 289.379 2.097 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)C3CCCC3)C2)CC1 ZINC001040570169 811116622 /nfs/dbraw/zinc/11/66/22/811116622.db2.gz RMVDNZHEMCWUBS-UHFFFAOYSA-N 0 3 274.408 2.124 20 30 CEEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H](F)C(C)C)C2)CC1 ZINC001040802219 811126336 /nfs/dbraw/zinc/12/63/36/811126336.db2.gz JUCPKPYXWZPBRH-HNNXBMFYSA-N 0 3 294.414 2.318 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001086403335 811130375 /nfs/dbraw/zinc/13/03/75/811130375.db2.gz GUXMNHFPNHXYAK-JOCQHMNTSA-N 0 3 295.814 2.482 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3ccccc3C)C2)C1 ZINC001041033150 811137298 /nfs/dbraw/zinc/13/72/98/811137298.db2.gz MAMYVJSNNGSSJW-SFHVURJKSA-N 0 3 282.387 2.166 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)c3cccs3)C2)C1 ZINC001041034669 811138226 /nfs/dbraw/zinc/13/82/26/811138226.db2.gz WOPYSJHIXAQJRW-MRXNPFEDSA-N 0 3 288.416 2.309 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C[C@H]3C=CCC3)C2)C1 ZINC001041051967 811140306 /nfs/dbraw/zinc/14/03/06/811140306.db2.gz BUMLSTPGPGIXOH-FUHWJXTLSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3cscc3C)C2)C1 ZINC001041185577 811147740 /nfs/dbraw/zinc/14/77/40/811147740.db2.gz VATIRWRQROSAEP-INIZCTEOSA-N 0 3 288.416 2.228 20 30 CEEDHN C[C@H](CN(C)C)NC(F)(F)c1cnc(Cl)c(C#N)c1 ZINC001155916975 811161410 /nfs/dbraw/zinc/16/14/10/811161410.db2.gz RORSTZRUANLPAR-MRVPVSSYSA-N 0 3 288.729 2.196 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2nc(C)oc2C)C1 ZINC001086512507 811186580 /nfs/dbraw/zinc/18/65/80/811186580.db2.gz RJMBLQQJXCTMNT-HAQNSBGRSA-N 0 3 297.786 2.142 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)CC(C)(C)C)C[C@@H]21 ZINC001041940407 811218344 /nfs/dbraw/zinc/21/83/44/811218344.db2.gz BJQPFNUWIRNOGJ-GJZGRUSLSA-N 0 3 276.424 2.369 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(C)nc3)C[C@@H]21 ZINC001041943967 811220937 /nfs/dbraw/zinc/22/09/37/811220937.db2.gz SLQNODROROUCDK-HOCLYGCPSA-N 0 3 285.391 2.112 20 30 CEEDHN C#CCN1CC[C@H]2CCN(C(=O)C3=CCCCCC3)C[C@H]21 ZINC001042028059 811235106 /nfs/dbraw/zinc/23/51/06/811235106.db2.gz YFXMWAPDZZTRSU-DOTOQJQBSA-N 0 3 286.419 2.433 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc4occc4[nH]3)C[C@H]21 ZINC001042084186 811241547 /nfs/dbraw/zinc/24/15/47/811241547.db2.gz PIDVHWMIQUGVBD-IUODEOHRSA-N 0 3 299.374 2.483 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C=C)C[C@@H]21 ZINC001042182971 811251928 /nfs/dbraw/zinc/25/19/28/811251928.db2.gz HPJIOSLEXWWXNZ-KGLIPLIRSA-N 0 3 262.397 2.307 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3(CC)CC3)C[C@@H]21 ZINC001042221811 811257920 /nfs/dbraw/zinc/25/79/20/811257920.db2.gz MVTPAPMXGZZPAV-CABCVRRESA-N 0 3 274.408 2.123 20 30 CEEDHN CN(C)c1cc(C(=O)C(C#N)c2cccc(F)n2)ccn1 ZINC001122640920 815433613 /nfs/dbraw/zinc/43/36/13/815433613.db2.gz QZIUBXGZOPDTOM-LLVKDONJSA-N 0 3 284.294 2.172 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(CF)CCC3)C[C@H]21 ZINC001042240620 811262265 /nfs/dbraw/zinc/26/22/65/811262265.db2.gz MICMJSNBMBTMFW-UONOGXRCSA-N 0 3 280.387 2.235 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC(=C)CC1)C2 ZINC001095972022 811459220 /nfs/dbraw/zinc/45/92/20/811459220.db2.gz YZQBNALYKQHXMH-IKGGRYGDSA-N 0 3 286.419 2.478 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1CCC)C2 ZINC001095981786 811498292 /nfs/dbraw/zinc/49/82/92/811498292.db2.gz KVEACDPJLSLLCC-SUJAAXHWSA-N 0 3 274.408 2.167 20 30 CEEDHN C[C@H](CCCC#N)NCc1cn(Cc2ccccn2)cn1 ZINC001172492915 815452996 /nfs/dbraw/zinc/45/29/96/815452996.db2.gz PXBAHEIPFDMLTB-CQSZACIVSA-N 0 3 283.379 2.498 20 30 CEEDHN O=C(C=CNc1ccc2c(c1)COC21CNC1)C(F)(F)F ZINC001169480660 811525564 /nfs/dbraw/zinc/52/55/64/811525564.db2.gz QGVUNJXATMGCMK-ONEGZZNKSA-N 0 3 298.264 2.072 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2CC2(C)C)CC1 ZINC001045410225 811608198 /nfs/dbraw/zinc/60/81/98/811608198.db2.gz JWSCFUKKPJDZMA-CYBMUJFWSA-N 0 3 262.397 2.027 20 30 CEEDHN CCOC(=O)N1CCC[C@H](N[C@H](CC)CC#N)CC1 ZINC001169662361 811612094 /nfs/dbraw/zinc/61/20/94/811612094.db2.gz RHJXKXSYGUWCHX-OLZOCXBDSA-N 0 3 267.373 2.279 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cnc(C3CC3)o2)CC1 ZINC001045463218 811615025 /nfs/dbraw/zinc/61/50/25/811615025.db2.gz QHKKXJJRWBWZDU-UHFFFAOYSA-N 0 3 289.379 2.322 20 30 CEEDHN C=CCn1cccc1C(=O)NC1(C)CCN(CC#CC)CC1 ZINC001045461699 811615206 /nfs/dbraw/zinc/61/52/06/811615206.db2.gz LCJGGGZQLPDHRS-UHFFFAOYSA-N 0 3 299.418 2.282 20 30 CEEDHN C#C[C@](C)(CC)Nc1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001169698832 811629636 /nfs/dbraw/zinc/62/96/36/811629636.db2.gz YUFHMJYYPCQBJY-RHSMWYFYSA-N 0 3 284.407 2.500 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1[nH]ccc1C)C2 ZINC001045934699 811667946 /nfs/dbraw/zinc/66/79/46/811667946.db2.gz BBJAHNWRDJCXNF-GOSISDBHSA-N 0 3 299.418 2.275 20 30 CEEDHN C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001046148489 811696272 /nfs/dbraw/zinc/69/62/72/811696272.db2.gz VCWAGTIPVIOTKH-INIZCTEOSA-N 0 3 274.364 2.163 20 30 CEEDHN C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001046148489 811696274 /nfs/dbraw/zinc/69/62/74/811696274.db2.gz VCWAGTIPVIOTKH-INIZCTEOSA-N 0 3 274.364 2.163 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001046509047 811765572 /nfs/dbraw/zinc/76/55/72/811765572.db2.gz YBHJVDIAFOZCTG-KRWDZBQOSA-N 0 3 298.390 2.023 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccccc2CC)C1 ZINC001046580488 811779247 /nfs/dbraw/zinc/77/92/47/811779247.db2.gz UVOIQPKYALLLTC-SFHVURJKSA-N 0 3 284.403 2.467 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001046618508 811787346 /nfs/dbraw/zinc/78/73/46/811787346.db2.gz FXEKSYYGTQMJCX-SFHVURJKSA-N 0 3 299.418 2.423 20 30 CEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(C)C)C2 ZINC001108918589 811791946 /nfs/dbraw/zinc/79/19/46/811791946.db2.gz GHEQUDSNCDUVSM-PMPSAXMXSA-N 0 3 294.439 2.347 20 30 CEEDHN CC#CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000801164422 811811783 /nfs/dbraw/zinc/81/17/83/811811783.db2.gz MJQMXPWMMUAVAO-INIZCTEOSA-N 0 3 270.376 2.133 20 30 CEEDHN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCCCO1 ZINC001109054966 811817698 /nfs/dbraw/zinc/81/76/98/811817698.db2.gz IHNHHVVWEHTXQR-WCVJEAGWSA-N 0 3 292.423 2.243 20 30 CEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1CC1)C2 ZINC001109104910 811821975 /nfs/dbraw/zinc/82/19/75/811821975.db2.gz UBUDXZDESCCZEF-PMPSAXMXSA-N 0 3 292.423 2.101 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2[nH]nc3ccccc32)C1 ZINC001046812532 811822839 /nfs/dbraw/zinc/82/28/39/811822839.db2.gz WJKAZQXLDYMZFG-KRWDZBQOSA-N 0 3 298.390 2.333 20 30 CEEDHN CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109257752 811852805 /nfs/dbraw/zinc/85/28/05/811852805.db2.gz LPIVMJJJBOFYRA-PMPSAXMXSA-N 0 3 272.392 2.088 20 30 CEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)C3(C)CC3)C2)CC1 ZINC001047242190 811872527 /nfs/dbraw/zinc/87/25/27/811872527.db2.gz RRKSBFCYUDFQEY-MRXNPFEDSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C1 ZINC001048653159 812003426 /nfs/dbraw/zinc/00/34/26/812003426.db2.gz ASXUCEHUEQYUPK-IYBDPMFKSA-N 0 3 282.387 2.022 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cccc(C)c3)C[C@@H]2C1 ZINC001048661028 812005446 /nfs/dbraw/zinc/00/54/46/812005446.db2.gz DUTHICHDXCKGAE-CALCHBBNSA-N 0 3 282.387 2.022 20 30 CEEDHN C=CCC[C@H](C)N1CCN(C(=O)CC2CC2)CC1 ZINC001112595212 812011936 /nfs/dbraw/zinc/01/19/36/812011936.db2.gz FUYVBMVYFOKRHE-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)cc1)C2 ZINC001096412685 812017701 /nfs/dbraw/zinc/01/77/01/812017701.db2.gz RPZCQOOCALVCCO-IKGGRYGDSA-N 0 3 282.387 2.353 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc(C)cs3)C[C@@H]2C1 ZINC001048805867 812028160 /nfs/dbraw/zinc/02/81/60/812028160.db2.gz YMQVOUGFBYJRQZ-OKILXGFUSA-N 0 3 288.416 2.084 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@H]3CC=CCC3)C[C@@H]2C1 ZINC001048988842 812051259 /nfs/dbraw/zinc/05/12/59/812051259.db2.gz QEIZHERIXDAEOG-YESZJQIVSA-N 0 3 286.419 2.146 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CN(CC#CC)C[C@H]2C1 ZINC001049036226 812062160 /nfs/dbraw/zinc/06/21/60/812062160.db2.gz VPHJWZODZVAKEW-UXLLHSPISA-N 0 3 274.408 2.002 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCCC[C@H]3CC)C[C@@H]2C1 ZINC001049141549 812076481 /nfs/dbraw/zinc/07/64/81/812076481.db2.gz SNHTYYQWUHCGHT-WCXIOVBPSA-N 0 3 288.435 2.226 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC(C)C ZINC001049293581 812109849 /nfs/dbraw/zinc/10/98/49/812109849.db2.gz UVZGUOKOKRBBIM-HUUCEWRRSA-N 0 3 262.397 2.121 20 30 CEEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1C=CCC1 ZINC001049312519 812116008 /nfs/dbraw/zinc/11/60/08/812116008.db2.gz FBTZEUXXMLYOCC-BZUAXINKSA-N 0 3 272.392 2.041 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)CC ZINC001049331138 812121456 /nfs/dbraw/zinc/12/14/56/812121456.db2.gz JGBWCBDGFFEDJS-SOUVJXGZSA-N 0 3 262.397 2.121 20 30 CEEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)SC ZINC001049340722 812123729 /nfs/dbraw/zinc/12/37/29/812123729.db2.gz SPZFIRVRQUPLHL-MGPQQGTHSA-N 0 3 282.453 2.379 20 30 CEEDHN C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001049342888 812125840 /nfs/dbraw/zinc/12/58/40/812125840.db2.gz GXJDSRPFWMMMFI-JKSUJKDBSA-N 0 3 298.386 2.094 20 30 CEEDHN C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001049342888 812125842 /nfs/dbraw/zinc/12/58/42/812125842.db2.gz GXJDSRPFWMMMFI-JKSUJKDBSA-N 0 3 298.386 2.094 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC(F)(F)F ZINC001049360981 812129310 /nfs/dbraw/zinc/12/93/10/812129310.db2.gz PTDAZEKPRLRSQB-VXGBXAGGSA-N 0 3 288.313 2.027 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ncccc1C ZINC001049407196 812139752 /nfs/dbraw/zinc/13/97/52/812139752.db2.gz PSTTYJXPYJIMAM-GJZGRUSLSA-N 0 3 285.391 2.255 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1csnc1C ZINC001049430365 812144730 /nfs/dbraw/zinc/14/47/30/812144730.db2.gz ARXKTEYBWWHUBV-ZIAGYGMSSA-N 0 3 291.420 2.316 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C(F)(F)F ZINC001049638856 812176747 /nfs/dbraw/zinc/17/67/47/812176747.db2.gz GUAUGDXADWHRKR-GRYCIOLGSA-N 0 3 290.329 2.436 20 30 CEEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC=CCC1 ZINC001049642518 812178243 /nfs/dbraw/zinc/17/82/43/812178243.db2.gz XSPGFHCGBRMSDY-BRWVUGGUSA-N 0 3 286.419 2.431 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cc1occc1C ZINC001049702816 812194703 /nfs/dbraw/zinc/19/47/03/812194703.db2.gz ONGADYAMHQHSGE-CABCVRRESA-N 0 3 288.391 2.382 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC2(CC2)C1 ZINC001049709475 812196939 /nfs/dbraw/zinc/19/69/39/812196939.db2.gz KTHANUHPGQUYGJ-LSDHHAIUSA-N 0 3 274.408 2.428 20 30 CEEDHN CC(C)OCCC(=O)C(C#N)c1ncc(F)cc1F ZINC001123382177 815513607 /nfs/dbraw/zinc/51/36/07/815513607.db2.gz PGMOXVJDIQWNFY-JTQLQIEISA-N 0 3 268.263 2.351 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C)CCOCC1 ZINC001049789662 812208732 /nfs/dbraw/zinc/20/87/32/812208732.db2.gz DMELYNCNOWYBRP-GJZGRUSLSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC2=CCOCC2)CC1 ZINC001113302896 812212753 /nfs/dbraw/zinc/21/27/53/812212753.db2.gz BAUXMXOEECCEFP-OAHLLOKOSA-N 0 3 292.423 2.222 20 30 CEEDHN COc1cc(O)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001139141284 812222263 /nfs/dbraw/zinc/22/22/63/812222263.db2.gz UJXCDOIRSUCZDY-AWEZNQCLSA-N 0 3 291.372 2.175 20 30 CEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)C3CCCC3)[C@@H]2C1 ZINC001049949881 812238093 /nfs/dbraw/zinc/23/80/93/812238093.db2.gz LMCXYIBZYJZFDL-JKSUJKDBSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1)C2 ZINC001096744205 812273216 /nfs/dbraw/zinc/27/32/16/812273216.db2.gz REIFFCRSBKAIKM-OAGGEKHMSA-N 0 3 268.360 2.045 20 30 CEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)COC1CCCC1 ZINC001157584027 812275220 /nfs/dbraw/zinc/27/52/20/812275220.db2.gz ARRWAFFVSLCIRH-OAHLLOKOSA-N 0 3 294.439 2.445 20 30 CEEDHN CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#N)[nH]1)C2 ZINC001096968214 812301164 /nfs/dbraw/zinc/30/11/64/812301164.db2.gz CVOMOQTYDXTZGL-BMFZPTHFSA-N 0 3 298.390 2.188 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC1CCCC1 ZINC001113807468 812323121 /nfs/dbraw/zinc/32/31/21/812323121.db2.gz WLZRYWBHLNWERW-FOLVSLTJSA-N 0 3 262.397 2.189 20 30 CEEDHN CCOC(=O)C1(C#N)CCN([C@@H]2CCO[C@H](CC)C2)CC1 ZINC001170236766 812351307 /nfs/dbraw/zinc/35/13/07/812351307.db2.gz URUABYMPZNDNGI-ZIAGYGMSSA-N 0 3 294.395 2.113 20 30 CEEDHN CCN(CCC#N)[C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172789931 815522594 /nfs/dbraw/zinc/52/25/94/815522594.db2.gz APHHPHDVFJYUGH-CHWSQXEVSA-N 0 3 252.358 2.344 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)[C@H](C)c2ccco2)CC1 ZINC001052705813 812450730 /nfs/dbraw/zinc/45/07/30/812450730.db2.gz KKSXHAGWOFZSST-CABCVRRESA-N 0 3 288.391 2.377 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2cccc3cc[nH]c32)CC1 ZINC001052736126 812454294 /nfs/dbraw/zinc/45/42/94/812454294.db2.gz OZLPTRWNZQOVCB-OAHLLOKOSA-N 0 3 295.386 2.385 20 30 CEEDHN C/C=C(/C)C(=O)NC1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]12 ZINC001114122528 812466734 /nfs/dbraw/zinc/46/67/34/812466734.db2.gz LHVMRERTTUCCRN-RBVCRVOUSA-N 0 3 295.386 2.071 20 30 CEEDHN Cc1ccoc1C(=O)NCCNCc1ccc(C#N)s1 ZINC001123535864 815528732 /nfs/dbraw/zinc/52/87/32/815528732.db2.gz WAQZHPBNUGPVKT-UHFFFAOYSA-N 0 3 289.360 2.041 20 30 CEEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CSC)C1 ZINC001053065142 812486931 /nfs/dbraw/zinc/48/69/31/812486931.db2.gz CNBXAEZEUYYNGG-LSDHHAIUSA-N 0 3 294.464 2.076 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)C2 ZINC001097893876 812503953 /nfs/dbraw/zinc/50/39/53/812503953.db2.gz OIGAMZGJRDASMZ-QCODTGAPSA-N 0 3 298.386 2.128 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C(F)=C(C)C)C2 ZINC001054113626 812538833 /nfs/dbraw/zinc/53/88/33/812538833.db2.gz LQTWOVQFJZLWRC-INIZCTEOSA-N 0 3 278.371 2.198 20 30 CEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)/C(C)=C\C)C2 ZINC001054110300 812539045 /nfs/dbraw/zinc/53/90/45/812539045.db2.gz CJYVSAUVZZYSPE-DBCFMDJHSA-N 0 3 274.408 2.290 20 30 CEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)C1CC1)C2 ZINC001054109797 812539869 /nfs/dbraw/zinc/53/98/69/812539869.db2.gz SNWSBRYNDPBNGH-MAUKXSAKSA-N 0 3 288.435 2.370 20 30 CEEDHN CC(C)c1nc(CCN(C)[C@@H]2CC[C@H](C#N)C2)no1 ZINC001254661256 812565983 /nfs/dbraw/zinc/56/59/83/812565983.db2.gz RDTLBRRJLGCBHR-NWDGAFQWSA-N 0 3 262.357 2.360 20 30 CEEDHN CC(C)c1nc(CCN(C)[C@H]2CC[C@@H](C#N)C2)no1 ZINC001254661255 812566041 /nfs/dbraw/zinc/56/60/41/812566041.db2.gz RDTLBRRJLGCBHR-NEPJUHHUSA-N 0 3 262.357 2.360 20 30 CEEDHN Cc1cccc2nc(CN3CCC4SC(=O)C=C4C3)cn21 ZINC001137296811 812573654 /nfs/dbraw/zinc/57/36/54/812573654.db2.gz PPYRXEDBPPKRLP-CQSZACIVSA-N 0 3 299.399 2.417 20 30 CEEDHN CC(C)(C)CC(=O)NCCNCc1cccc(C#N)c1 ZINC001123611894 815537509 /nfs/dbraw/zinc/53/75/09/815537509.db2.gz OELVNRLWCAZDMI-UHFFFAOYSA-N 0 3 273.380 2.200 20 30 CEEDHN CCCC(=O)N1C[C@H](C)[C@H](NCc2ccc(C#N)s2)C1 ZINC001054327464 812591160 /nfs/dbraw/zinc/59/11/60/812591160.db2.gz ZDYUWXIAJNDHOV-SMDDNHRTSA-N 0 3 291.420 2.356 20 30 CEEDHN C[C@H](Nc1cccc2[nH]cc(CC#N)c21)[C@H]1CNCCO1 ZINC001170573390 812696257 /nfs/dbraw/zinc/69/62/57/812696257.db2.gz RPEXIOIMSZQMPS-XHDPSFHLSA-N 0 3 284.363 2.023 20 30 CEEDHN C[C@H](C#N)OCCN1CCN(Cc2ccccc2)C[C@H]1C ZINC000383069773 812698030 /nfs/dbraw/zinc/69/80/30/812698030.db2.gz KUABRCVXQHEBHB-HZPDHXFCSA-N 0 3 287.407 2.121 20 30 CEEDHN C=CCCN1C[C@H](NC(=O)C(=O)C(C)(C)C)CC[C@H]1C ZINC001131938043 812758824 /nfs/dbraw/zinc/75/88/24/812758824.db2.gz CECNTWQRGSFBAO-CHWSQXEVSA-N 0 3 280.412 2.147 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)COCCCC)CC[C@H]1C ZINC001131926290 812759514 /nfs/dbraw/zinc/75/95/14/812759514.db2.gz ICFLOINUURNCLR-CABCVRRESA-N 0 3 282.428 2.348 20 30 CEEDHN C#CCCCCC(=O)N[C@H]1CC[C@H](C)N(CC=C)C1 ZINC001131973034 812764663 /nfs/dbraw/zinc/76/46/63/812764663.db2.gz XOBWVXSDVGDAPA-GJZGRUSLSA-N 0 3 262.397 2.335 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)C[C@@H]3CCCCO3)[C@@H]2C1 ZINC001050016446 812769823 /nfs/dbraw/zinc/76/98/23/812769823.db2.gz JMYNJWYVBDEZNS-HRCADAONSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)Cc3ccc(C)o3)[C@@H]2C1 ZINC001050026023 812773034 /nfs/dbraw/zinc/77/30/34/812773034.db2.gz SXPLUIYALXPICY-GOEBONIOSA-N 0 3 288.391 2.239 20 30 CEEDHN CCN1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132037614 812777876 /nfs/dbraw/zinc/77/78/76/812777876.db2.gz FOQNRTXTTWVZIK-STQMWFEESA-N 0 3 250.386 2.025 20 30 CEEDHN C=C(C)CCC(=O)N[C@H]1CC[C@H](C)N(CCOCC)C1 ZINC001132072382 812785479 /nfs/dbraw/zinc/78/54/79/812785479.db2.gz KSSJOIUMSWYXBA-GJZGRUSLSA-N 0 3 282.428 2.348 20 30 CEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@H]3CCC3(C)C)[C@@H]2C1 ZINC001050118924 812785560 /nfs/dbraw/zinc/78/55/60/812785560.db2.gz FZDNZTRGZLILEL-ARFHVFGLSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCOCCN1C[C@H](NC(=O)CC2(C)CC2)CC[C@H]1C ZINC001132194921 812796022 /nfs/dbraw/zinc/79/60/22/812796022.db2.gz HCFVFDJYBJUECS-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2(CCF)CC2)CC[C@H]1C ZINC001132200747 812801157 /nfs/dbraw/zinc/80/11/57/812801157.db2.gz UHVLQOKQFIECMW-ZIAGYGMSSA-N 0 3 280.387 2.119 20 30 CEEDHN CC#CCCCC(=O)N[C@@H]1CC[C@H](C)N(CCOCC)C1 ZINC001132224269 812805803 /nfs/dbraw/zinc/80/58/03/812805803.db2.gz LNUYFYVKERKONU-JKSUJKDBSA-N 0 3 294.439 2.186 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2CC[C@H](C)N(CCOC)C2)CCC1 ZINC001132282496 812816619 /nfs/dbraw/zinc/81/66/19/812816619.db2.gz KITLSQHYTDPENZ-LSDHHAIUSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CCOC)C2)CC1 ZINC001132277818 812818921 /nfs/dbraw/zinc/81/89/21/812818921.db2.gz JJQBNZPKXPYFTK-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)C(C)(C)C(C)C)C2)CC1 ZINC001050529144 812836450 /nfs/dbraw/zinc/83/64/50/812836450.db2.gz WBANIODRDILZIJ-UHFFFAOYSA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@H](C)C(C)(C)C)C2)CC1 ZINC001050565244 812838359 /nfs/dbraw/zinc/83/83/59/812838359.db2.gz XFZDCFBMUAPTNJ-AWEZNQCLSA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCCCCCC(=O)NCCNCc1cnccc1C ZINC001132398514 812840527 /nfs/dbraw/zinc/84/05/27/812840527.db2.gz CNRISKSVYBVYQH-UHFFFAOYSA-N 0 3 287.407 2.180 20 30 CEEDHN C#CCCCCCC(=O)NCCNC[C@H](F)CC ZINC001132404279 812841684 /nfs/dbraw/zinc/84/16/84/812841684.db2.gz YSMPLVFFGFTXOM-CYBMUJFWSA-N 0 3 256.365 2.024 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)C[C@H]3CC[C@H](C)C3)C2)CC1 ZINC001050623856 812843837 /nfs/dbraw/zinc/84/38/37/812843837.db2.gz WODAZGRZJZFFEE-HOTGVXAUSA-N 0 3 288.435 2.370 20 30 CEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1sc(C)nc1C ZINC001132569728 812893564 /nfs/dbraw/zinc/89/35/64/812893564.db2.gz XTPQYIVHUDYAMB-WDEREUQCSA-N 0 3 295.452 2.424 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(C)s2)CC1 ZINC001052165265 812940153 /nfs/dbraw/zinc/94/01/53/812940153.db2.gz KXBFXXYRRBISPN-ZDUSSCGKSA-N 0 3 276.405 2.274 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001052394862 812986691 /nfs/dbraw/zinc/98/66/91/812986691.db2.gz FZGGMVVJCRJAGZ-YYIAUSFCSA-N 0 3 286.419 2.193 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)Cc2c(C)cccc2C)CC1 ZINC001052422004 812990558 /nfs/dbraw/zinc/99/05/58/812990558.db2.gz KAUWCGWNAWDGDJ-QGZVFWFLSA-N 0 3 298.430 2.450 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(C(C)C)nc2)CC1 ZINC001052443905 812993114 /nfs/dbraw/zinc/99/31/14/812993114.db2.gz BGGOYVNXLXRWDO-MRXNPFEDSA-N 0 3 299.418 2.423 20 30 CEEDHN C=CCCCC(=O)NCCNCc1cn(C(C)C)nc1C ZINC001133145088 813001375 /nfs/dbraw/zinc/00/13/75/813001375.db2.gz OOUHZSHGIDBODD-UHFFFAOYSA-N 0 3 292.427 2.335 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@H]2CCCCC2(F)F)CC1 ZINC001052591295 813009251 /nfs/dbraw/zinc/00/92/51/813009251.db2.gz OGKKEKNOHWKVQK-UONOGXRCSA-N 0 3 298.377 2.416 20 30 CEEDHN CC#CCNCCNC(=O)CCCc1ccc(C)cc1 ZINC001133257874 813018411 /nfs/dbraw/zinc/01/84/11/813018411.db2.gz QJHRCCLXRLLGRJ-UHFFFAOYSA-N 0 3 272.392 2.047 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)NCCNCc1cnccc1C ZINC001133378133 813041859 /nfs/dbraw/zinc/04/18/59/813041859.db2.gz AXLXAZZEIBUYJY-INIZCTEOSA-N 0 3 275.396 2.198 20 30 CEEDHN CCC1(C(=O)NCCNCc2ccc(C#N)c(F)c2)CC1 ZINC001133406665 813054978 /nfs/dbraw/zinc/05/49/78/813054978.db2.gz JPYVJOZMJATSRQ-UHFFFAOYSA-N 0 3 289.354 2.093 20 30 CEEDHN C[C@H](C[C@H](C)NC(=O)C(F)F)NCc1ccccc1C#N ZINC001133444846 813070353 /nfs/dbraw/zinc/07/03/53/813070353.db2.gz WXRJKMREOWEKQN-MNOVXSKESA-N 0 3 295.333 2.196 20 30 CEEDHN CNC(=O)C(C#N)C(=O)CSc1ccc2ccccc2c1 ZINC000133383415 813081981 /nfs/dbraw/zinc/08/19/81/813081981.db2.gz YNDBPBQMFQGSSH-AWEZNQCLSA-N 0 3 298.367 2.387 20 30 CEEDHN C=C1CC(C)(C(=O)NCCNCc2scnc2C)C1 ZINC001133570340 813110293 /nfs/dbraw/zinc/11/02/93/813110293.db2.gz WNKKFPRGZNEPSH-UHFFFAOYSA-N 0 3 279.409 2.014 20 30 CEEDHN C#C[C@H]1CCCN([C@H]2COc3cccc(OC)c3C2)C1 ZINC001173165996 815597402 /nfs/dbraw/zinc/59/74/02/815597402.db2.gz QKWOSNHHEQLZFE-UONOGXRCSA-N 0 3 271.360 2.344 20 30 CEEDHN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1ccn(C)n1 ZINC001134471144 813278830 /nfs/dbraw/zinc/27/88/30/813278830.db2.gz VCRRFFFLKGPBJL-ZIAGYGMSSA-N 0 3 292.427 2.149 20 30 CEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CC1CC1)C[C@H](C)O2 ZINC001071122278 813321597 /nfs/dbraw/zinc/32/15/97/813321597.db2.gz RIGCTFREOLMRCC-WMLDXEAASA-N 0 3 292.423 2.054 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(F)cc2)CC[C@H]1C ZINC001071293908 813350151 /nfs/dbraw/zinc/35/01/51/813350151.db2.gz LJSJUBODUTWNIC-CJNGLKHVSA-N 0 3 288.366 2.432 20 30 CEEDHN C=CCCN1C[C@H](NC(=O)C(C)(F)F)CC[C@@H]1C ZINC001071299721 813353216 /nfs/dbraw/zinc/35/32/16/813353216.db2.gz NFIXTXWQTPICDR-WDEREUQCSA-N 0 3 260.328 2.187 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1c[nH]nc1C(C)(C)C ZINC001170793560 813368977 /nfs/dbraw/zinc/36/89/77/813368977.db2.gz FGTGYAMVPZJOTP-UHFFFAOYSA-N 0 3 298.818 2.169 20 30 CEEDHN CC#CCNCCNC(=O)C[C@@H](C)C1CCCCC1 ZINC001135222351 813386937 /nfs/dbraw/zinc/38/69/37/813386937.db2.gz HXAHIVIVODLEFP-CQSZACIVSA-N 0 3 264.413 2.322 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[C@@H]1C ZINC001071415159 813399363 /nfs/dbraw/zinc/39/93/63/813399363.db2.gz ZPZLTXBKBLIMLI-GXTWGEPZSA-N 0 3 286.379 2.045 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC001135369675 813416859 /nfs/dbraw/zinc/41/68/59/813416859.db2.gz YPWLVCSCHJUZJN-AWEZNQCLSA-N 0 3 272.392 2.082 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cc[nH]c2CC)CC[C@H]1C ZINC001071485042 813420382 /nfs/dbraw/zinc/42/03/82/813420382.db2.gz JQXCNNUHUXDGAO-ZIAGYGMSSA-N 0 3 287.407 2.183 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@H]1C ZINC001071760575 813478319 /nfs/dbraw/zinc/47/83/19/813478319.db2.gz PHLACSGMIDHCAH-RBGFHDKUSA-N 0 3 274.408 2.025 20 30 CEEDHN C=CCCN1C[C@H](NC(=O)c2cnoc2CC)CC[C@@H]1C ZINC001071865897 813501350 /nfs/dbraw/zinc/50/13/50/813501350.db2.gz OBRVPQYHAJAUIC-QWHCGFSZSA-N 0 3 291.395 2.396 20 30 CEEDHN CC#CCNCCNC(=O)c1cc(-c2ccccc2)ccn1 ZINC001135733872 813511070 /nfs/dbraw/zinc/51/10/70/813511070.db2.gz GKGFHULKEUGQCU-UHFFFAOYSA-N 0 3 293.370 2.091 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2c[nH]cc2C)CC[C@H]1C ZINC001072078782 813541414 /nfs/dbraw/zinc/54/14/14/813541414.db2.gz KKMLPJQXVQKPHK-ZIAGYGMSSA-N 0 3 275.396 2.482 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3ccccc3C)C2)C1 ZINC001072413932 813588066 /nfs/dbraw/zinc/58/80/66/813588066.db2.gz ILSBHNWPSZIEAP-UHFFFAOYSA-N 0 3 270.376 2.329 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@]3(C)CC=CCC3)C2)C1 ZINC001072774591 813655012 /nfs/dbraw/zinc/65/50/12/813655012.db2.gz YWVAXYKRBBTQDM-MRXNPFEDSA-N 0 3 274.408 2.453 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CCC[C@H]3C(F)F)C2)C1 ZINC001072811812 813662923 /nfs/dbraw/zinc/66/29/23/813662923.db2.gz HRBDODRVWBUHKF-OLZOCXBDSA-N 0 3 298.377 2.388 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3cccc(F)c3F)C2)C1 ZINC001072922935 813691301 /nfs/dbraw/zinc/69/13/01/813691301.db2.gz HIADMGRDIVBNJX-UHFFFAOYSA-N 0 3 292.329 2.299 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@]34C[C@@H]3CCCC4)C2)C1 ZINC001072964127 813701722 /nfs/dbraw/zinc/70/17/22/813701722.db2.gz KMIYMTIKGDUCHS-YOEHRIQHSA-N 0 3 274.408 2.287 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3C[C@H]3CC(C)C)C2)C1 ZINC001072997139 813709519 /nfs/dbraw/zinc/70/95/19/813709519.db2.gz FWGFTHPRXQMUOC-HZPDHXFCSA-N 0 3 288.435 2.226 20 30 CEEDHN CC[C@H](C)[C@H]([NH2+][C@@H]1CCc2cccc(F)c2C1)C(=O)N[O-] ZINC001170976197 813714585 /nfs/dbraw/zinc/71/45/85/813714585.db2.gz KFJYNCDAEMCOSR-NVBFEUDRSA-N 0 3 294.370 2.193 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3C[C@@]3(C)CC)C2)C1 ZINC001073091774 813724481 /nfs/dbraw/zinc/72/44/81/813724481.db2.gz ONEXKAUEROBOGZ-DZGCQCFKSA-N 0 3 262.397 2.143 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3cccc(N(C)C)c3)C2)C1 ZINC001073149114 813731749 /nfs/dbraw/zinc/73/17/49/813731749.db2.gz YWVKAEOLACKOEG-UHFFFAOYSA-N 0 3 299.418 2.087 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001073738496 813777209 /nfs/dbraw/zinc/77/72/09/813777209.db2.gz AAAKFQGDIHXVCH-CABCVRRESA-N 0 3 294.439 2.206 20 30 CEEDHN Cc1cccn2c(CN3CCC4SC(=O)C=C4C3)cnc12 ZINC001136959827 813802862 /nfs/dbraw/zinc/80/28/62/813802862.db2.gz VYROEYHRDPJZQZ-AWEZNQCLSA-N 0 3 299.399 2.417 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)no1)C2 ZINC001098257846 813915090 /nfs/dbraw/zinc/91/50/90/813915090.db2.gz CCRKORKAXLVVGA-MXWKQRLJSA-N 0 3 295.770 2.239 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccn1CC)C2 ZINC001098407476 813922114 /nfs/dbraw/zinc/92/21/14/813922114.db2.gz IYPXKSUOZIMSJU-KFWWJZLASA-N 0 3 287.407 2.419 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2)C1 ZINC001098707230 813938931 /nfs/dbraw/zinc/93/89/31/813938931.db2.gz ZQIJBQLRMGTTIS-WMZOPIPTSA-N 0 3 282.387 2.294 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)c(C)cn2)C1 ZINC001098956111 813965964 /nfs/dbraw/zinc/96/59/64/813965964.db2.gz FCCGZEGSNGWNKM-YJBOKZPZSA-N 0 3 299.418 2.469 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2CN(CC=C)C3)cc1 ZINC001098969642 813969043 /nfs/dbraw/zinc/96/90/43/813969043.db2.gz REYTWXGRHLFMIY-HKUYNNGSSA-N 0 3 294.398 2.438 20 30 CEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001098984407 813971680 /nfs/dbraw/zinc/97/16/80/813971680.db2.gz WMXLNENVIANVHG-KBPBESRZSA-N 0 3 277.412 2.329 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)C2CC=CC2)C[C@H]1C(F)(F)F ZINC001099228171 813995745 /nfs/dbraw/zinc/99/57/45/813995745.db2.gz KLYDRBOSHVGWAJ-VXGBXAGGSA-N 0 3 288.313 2.118 20 30 CEEDHN C=CCCC(=O)N[C@H]1CCN(CC2=CCCCC2)C[C@H]1O ZINC001099726028 814030088 /nfs/dbraw/zinc/03/00/88/814030088.db2.gz CTFAUIAMDZZQNV-JKSUJKDBSA-N 0 3 292.423 2.004 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C2(CCC)CCC2)[C@H](O)C1 ZINC001099962153 814047730 /nfs/dbraw/zinc/04/77/30/814047730.db2.gz KFJOMHUTTHZPFS-LSDHHAIUSA-N 0 3 294.439 2.084 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2(CCCC)CC2)[C@@H](O)C1 ZINC001099994995 814050268 /nfs/dbraw/zinc/05/02/68/814050268.db2.gz ZXIDWXSLNMENJC-CABCVRRESA-N 0 3 294.439 2.084 20 30 CEEDHN C=C(Cc1ccccc1)C(=O)N1C[C@H]2CCCN(C)[C@H]2C1 ZINC001144395383 814052710 /nfs/dbraw/zinc/05/27/10/814052710.db2.gz CSJZFTBLDJWYND-SJORKVTESA-N 0 3 284.403 2.338 20 30 CEEDHN C=C(Cc1ccccc1)C(=O)N1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001144395380 814053068 /nfs/dbraw/zinc/05/30/68/814053068.db2.gz CSJZFTBLDJWYND-DLBZAZTESA-N 0 3 284.403 2.338 20 30 CEEDHN C=CC(C)(C)C(=O)NCC1CC(NCc2conc2C)C1 ZINC001100564766 814145808 /nfs/dbraw/zinc/14/58/08/814145808.db2.gz WPYCMAWBWNXNTM-UHFFFAOYSA-N 0 3 291.395 2.180 20 30 CEEDHN C=CC(C)(C)C(=O)NCC1CC(NCc2cnoc2C)C1 ZINC001100569015 814147658 /nfs/dbraw/zinc/14/76/58/814147658.db2.gz IKOQHKJGVNQWSL-UHFFFAOYSA-N 0 3 291.395 2.180 20 30 CEEDHN CC#CCCCC(=O)NCC1CC(NCc2ccccn2)C1 ZINC001100590305 814154927 /nfs/dbraw/zinc/15/49/27/814154927.db2.gz SXKLZXDBCALFDU-UHFFFAOYSA-N 0 3 299.418 2.260 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)N1CC(N2CCCC2)C1 ZINC001171220898 814183168 /nfs/dbraw/zinc/18/31/68/814183168.db2.gz FHCFMRJCUCEFBY-CQSZACIVSA-N 0 3 269.392 2.269 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)N(C)Cc1cnccn1 ZINC001171225185 814190212 /nfs/dbraw/zinc/19/02/12/814190212.db2.gz YNYHIAOGBFTTKF-CYBMUJFWSA-N 0 3 266.348 2.411 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnoc2CC)C1 ZINC001091263450 814200294 /nfs/dbraw/zinc/20/02/94/814200294.db2.gz HPLGOKFDSXRUPG-UHFFFAOYSA-N 0 3 297.786 2.088 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)N1CC[C@]12CCOC2 ZINC001171232588 814202484 /nfs/dbraw/zinc/20/24/84/814202484.db2.gz UGQBPHVTMRPKSF-XJKSGUPXSA-N 0 3 256.349 2.354 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](C)CCCC)C[C@]2(C)C1 ZINC001101222911 814235877 /nfs/dbraw/zinc/23/58/77/814235877.db2.gz OERQGXGERHHFAZ-INMHGKMJSA-N 0 3 276.424 2.226 20 30 CEEDHN C=CCCC(=O)NC[C@@H]1CN(Cc2cccnc2)C[C@H]1C ZINC001101803697 814316442 /nfs/dbraw/zinc/31/64/42/814316442.db2.gz ANHAECIZRAFHPG-GDBMZVCRSA-N 0 3 287.407 2.232 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CC23CCCC3)cc1 ZINC001146747581 814320954 /nfs/dbraw/zinc/32/09/54/814320954.db2.gz WMUQDLFWOYQPSS-INIZCTEOSA-N 0 3 297.402 2.344 20 30 CEEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CN(CCF)C[C@H]1C ZINC001102004772 814354427 /nfs/dbraw/zinc/35/44/27/814354427.db2.gz CPUZCDGRPFSRQS-CHWSQXEVSA-N 0 3 270.392 2.242 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CN(CCF)C[C@H]1C ZINC001102261045 814373229 /nfs/dbraw/zinc/37/32/29/814373229.db2.gz MGSVODBCFCDXJB-BFHYXJOUSA-N 0 3 270.392 2.242 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H](C)C(C)C)C2)C1 ZINC001147244857 814405234 /nfs/dbraw/zinc/40/52/34/814405234.db2.gz JOXNEJKCNLGPGB-OAHLLOKOSA-N 0 3 276.424 2.226 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C(F)(F)F)C1 ZINC001111842971 814618831 /nfs/dbraw/zinc/61/88/31/814618831.db2.gz FRQKQCNIOGGLLW-GVXVVHGQSA-N 0 3 290.329 2.342 20 30 CEEDHN CC#CCNCCNC(=O)c1cccc(Cl)c1Cl ZINC001148905093 814622704 /nfs/dbraw/zinc/62/27/04/814622704.db2.gz ZRLFBVDZMCJBQT-UHFFFAOYSA-N 0 3 285.174 2.336 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CCC)C2)CC1 ZINC001086897797 814649568 /nfs/dbraw/zinc/64/95/68/814649568.db2.gz SUQZXTPBKKZXFK-AWEZNQCLSA-N 0 3 262.397 2.123 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)CC(C)(F)F)C2)CC1 ZINC001086941091 814652770 /nfs/dbraw/zinc/65/27/70/814652770.db2.gz IYTSEKBAQCBJQO-CYBMUJFWSA-N 0 3 298.377 2.368 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@](C)(C=C)CC)C[C@]2(C)C1 ZINC001091975181 814685994 /nfs/dbraw/zinc/68/59/94/814685994.db2.gz JEWBRCMHGVCWOH-PVAVHDDUSA-N 0 3 274.408 2.002 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@]2(C)C1 ZINC001092225287 814696745 /nfs/dbraw/zinc/69/67/45/814696745.db2.gz YXBSIOGMZQGJOD-MJGOQNOKSA-N 0 3 296.414 2.412 20 30 CEEDHN C=C(Cl)CNC1(CNC(=O)C(F)F)CCCCC1 ZINC001115376721 814698003 /nfs/dbraw/zinc/69/80/03/814698003.db2.gz YEWFZTKVGSMRPF-UHFFFAOYSA-N 0 3 280.746 2.413 20 30 CEEDHN CC(=NNCC1CCOCC1)c1ccc(N(C)C)cc1 ZINC001116084105 814767474 /nfs/dbraw/zinc/76/74/74/814767474.db2.gz IOWQGMWWFZXZLZ-UHFFFAOYSA-N 0 3 275.396 2.493 20 30 CEEDHN CC(C)[C@@H](C)CC(=O)NCCNCc1ccc(C#N)cc1 ZINC001124680115 815627082 /nfs/dbraw/zinc/62/70/82/815627082.db2.gz BGCNTLBBPBSHKF-AWEZNQCLSA-N 0 3 287.407 2.446 20 30 CEEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(F)F)C2 ZINC001095095152 815656611 /nfs/dbraw/zinc/65/66/11/815656611.db2.gz ULWMHPKLWOEPGR-WOPDTQHZSA-N 0 3 272.339 2.329 20 30 CEEDHN C=CCOC1CCC(N2C[C@H]3CC[C@@H]2CO3)CC1 ZINC001173325618 815676029 /nfs/dbraw/zinc/67/60/29/815676029.db2.gz NQVNPHZJZPPHNB-HXSCFSKGSA-N 0 3 251.370 2.363 20 30 CEEDHN CCN([C@@H](C)C(=O)OC)C1CCC(CC#N)CC1 ZINC001173341529 815684003 /nfs/dbraw/zinc/68/40/03/815684003.db2.gz YQSYFVIOZALVJB-HIFPTAJRSA-N 0 3 252.358 2.342 20 30 CEEDHN C=CCOC1CCC(Nc2ccc(CN)nc2)CC1 ZINC001173318455 815691911 /nfs/dbraw/zinc/69/19/11/815691911.db2.gz VUUKOKWNXUMAJT-UHFFFAOYSA-N 0 3 261.369 2.466 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(F)c1)C2 ZINC001095129652 815709042 /nfs/dbraw/zinc/70/90/42/815709042.db2.gz UVAHWDUZXYOVCN-PMPSAXMXSA-N 0 3 286.350 2.184 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsc1)C2 ZINC001095153044 815717318 /nfs/dbraw/zinc/71/73/18/815717318.db2.gz WDYSDGAFHNFRTR-RDBSUJKOSA-N 0 3 274.389 2.107 20 30 CEEDHN COc1ncnc(Nc2ccccc2CN(C)C)c1C#N ZINC001173929163 815862885 /nfs/dbraw/zinc/86/28/85/815862885.db2.gz XUZMLDJFODRTGB-UHFFFAOYSA-N 0 3 283.335 2.162 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc[nH]c1C)C2 ZINC001095287979 815929914 /nfs/dbraw/zinc/92/99/14/815929914.db2.gz SPPHVZBGGHTFMC-SNPRPXQTSA-N 0 3 273.380 2.234 20 30 CEEDHN COCC1CN(Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139702114 816090576 /nfs/dbraw/zinc/09/05/76/816090576.db2.gz WILVIFKIBYWFSY-UHFFFAOYSA-N 0 3 255.321 2.118 20 30 CEEDHN COC(=O)[C@H]1C[C@H](C)CN(Cc2ccc(C)c(C#N)c2)C1 ZINC001139726342 816097306 /nfs/dbraw/zinc/09/73/06/816097306.db2.gz JMLVQXFZARCHFM-LRDDRELGSA-N 0 3 286.375 2.498 20 30 CEEDHN Cc1cnc(CN2CCC3SC(=O)C=C3C2)s1 ZINC001139810481 816115511 /nfs/dbraw/zinc/11/55/11/816115511.db2.gz XLQZJRHQBWMNRN-JTQLQIEISA-N 0 3 266.391 2.226 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)c1ocnc1C1CC1 ZINC001139869655 816130580 /nfs/dbraw/zinc/13/05/80/816130580.db2.gz ORZOHFDMGKJXKR-UHFFFAOYSA-N 0 3 277.368 2.132 20 30 CEEDHN C[C@@H]1CN(Cc2cc(F)cc(C#N)c2)CCC[C@@H]1O ZINC001139873280 816132574 /nfs/dbraw/zinc/13/25/74/816132574.db2.gz ICQSLFQPQDKDNG-ABAIWWIYSA-N 0 3 262.328 2.290 20 30 CEEDHN C[C@]1(O)CCCCN(Cc2cc(F)cc(C#N)c2)C1 ZINC001139873338 816132936 /nfs/dbraw/zinc/13/29/36/816132936.db2.gz LBHHNYZFSOWMMD-HNNXBMFYSA-N 0 3 262.328 2.434 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2F)CCC[C@@H]1O ZINC001140136268 816199400 /nfs/dbraw/zinc/19/94/00/816199400.db2.gz RUIUMBAWSFFUBB-ABAIWWIYSA-N 0 3 262.328 2.290 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1nc(C)c(C)s1 ZINC001176413131 816414828 /nfs/dbraw/zinc/41/48/28/816414828.db2.gz RMBNQKOFPKPVBK-UHFFFAOYSA-N 0 3 287.816 2.222 20 30 CEEDHN C#CC1CC[NH+](Cc2c([O-])cc(OC)cc2OC)CC1 ZINC001141030949 816450667 /nfs/dbraw/zinc/45/06/67/816450667.db2.gz RZTGFIDQFHCWOF-UHFFFAOYSA-N 0 3 275.348 2.255 20 30 CEEDHN C[C@@H](CC(F)(F)F)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000838790116 816552060 /nfs/dbraw/zinc/55/20/60/816552060.db2.gz DLMQZPXFSGZMSF-IUCAKERBSA-N 0 3 299.252 2.317 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NC[C@@H](n2cncn2)C(F)(F)F)C1 ZINC000601295606 346814368 /nfs/dbraw/zinc/81/43/68/346814368.db2.gz YJWGUYJCBCMTKT-GMTAPVOTSA-N 0 3 287.289 2.053 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC(C#N)CC1 ZINC000336250450 365536126 /nfs/dbraw/zinc/53/61/26/365536126.db2.gz VQSQPIJPJBJACT-CQSZACIVSA-N 0 3 292.427 2.052 20 30 CEEDHN C=CCOCCCC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000079550723 343984284 /nfs/dbraw/zinc/98/42/84/343984284.db2.gz YLKSZAAGQZVZLZ-CABCVRRESA-N 0 3 282.428 2.348 20 30 CEEDHN C=CCc1ccccc1OC[C@H](O)CN(C)CC=C ZINC000121510861 365577076 /nfs/dbraw/zinc/57/70/76/365577076.db2.gz RSMYKARYUWDGQG-OAHLLOKOSA-N 0 3 261.365 2.273 20 30 CEEDHN C[C@H](NC(=O)C1(C#N)CCCCC1)C1=CCN(C)CC1 ZINC000336444478 365578355 /nfs/dbraw/zinc/57/83/55/365578355.db2.gz ZVOXCJNRXZOSGK-ZDUSSCGKSA-N 0 3 275.396 2.227 20 30 CEEDHN C[C@@H]1N(Cc2cc(C#N)n(C)c2)CCC12CCOCC2 ZINC000336545187 365625558 /nfs/dbraw/zinc/62/55/58/365625558.db2.gz QXNYYYPDZXHGLW-ZDUSSCGKSA-N 0 3 273.380 2.288 20 30 CEEDHN C=CCNC(=O)[C@H](C)NCC(C)(C)c1ccc(OC)cc1 ZINC000123966639 365643182 /nfs/dbraw/zinc/64/31/82/365643182.db2.gz UOLXYBJSAHSOMC-ZDUSSCGKSA-N 0 3 290.407 2.253 20 30 CEEDHN N#Cc1cccc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 ZINC000125282965 187177871 /nfs/dbraw/zinc/17/78/71/187177871.db2.gz DZABZCBFETVSEL-CVEARBPZSA-N 0 3 283.375 2.049 20 30 CEEDHN C[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1cccnc1 ZINC000037889106 361959725 /nfs/dbraw/zinc/95/97/25/361959725.db2.gz NHVXMMGTRNZSJF-LRDDRELGSA-N 0 3 267.332 2.337 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000621762996 349694963 /nfs/dbraw/zinc/69/49/63/349694963.db2.gz ODYXQLLDZKXODK-INMHGKMJSA-N 0 3 286.375 2.417 20 30 CEEDHN CN(CCC(=O)N(C)[C@@H]1CCC[C@@H]1C#N)c1ccncc1 ZINC000601817136 346907712 /nfs/dbraw/zinc/90/77/12/346907712.db2.gz ILYCMBLLEHNJDA-UKRRQHHQSA-N 0 3 286.379 2.059 20 30 CEEDHN CC[C@H](NCc1cnc2ccc(C#N)cn12)[C@H](O)C(C)C ZINC000414517947 529634792 /nfs/dbraw/zinc/63/47/92/529634792.db2.gz ALDTUNLSXQSURQ-GOEBONIOSA-N 0 3 286.379 2.091 20 30 CEEDHN CC(C)C[C@H](CNC(=O)c1cccc(C#N)c1)N(C)C ZINC000042583613 362105091 /nfs/dbraw/zinc/10/50/91/362105091.db2.gz VNBLMJFEERQJFK-OAHLLOKOSA-N 0 3 273.380 2.264 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000127205621 365735733 /nfs/dbraw/zinc/73/57/33/365735733.db2.gz AEMGQUIEWYKCKR-QWHCGFSZSA-N 0 3 265.401 2.219 20 30 CEEDHN CCOC1CCN(CCOc2ccccc2C#N)CC1 ZINC000040689430 343438111 /nfs/dbraw/zinc/43/81/11/343438111.db2.gz IMGLRSRBLRWKPS-UHFFFAOYSA-N 0 3 274.364 2.438 20 30 CEEDHN CSC[C@H](CCO)NC1CC(C#N)(c2ccccc2)C1 ZINC000127315894 365741949 /nfs/dbraw/zinc/74/19/49/365741949.db2.gz RSCFQUMITHKZBK-FHERZECASA-N 0 3 290.432 2.314 20 30 CEEDHN C[C@@H](NC(=O)NC1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000047886536 362230287 /nfs/dbraw/zinc/23/02/87/362230287.db2.gz GYYHVZREBRVXIG-GFCCVEGCSA-N 0 3 286.379 2.013 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CC(Cc2ccco2)C1 ZINC000601964469 346944371 /nfs/dbraw/zinc/94/43/71/346944371.db2.gz OYGXNVJQGMILBS-ZDUSSCGKSA-N 0 3 262.353 2.055 20 30 CEEDHN COC(=O)C[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000048400689 343529907 /nfs/dbraw/zinc/52/99/07/343529907.db2.gz FGMBUCKIIDMVFD-OAHLLOKOSA-N 0 3 272.348 2.476 20 30 CEEDHN CN(C)[C@]1(CNCc2ccc(C#N)cc2F)CCSC1 ZINC000269407362 282274706 /nfs/dbraw/zinc/27/47/06/282274706.db2.gz HYWQSLKFZCHTEQ-HNNXBMFYSA-N 0 3 293.411 2.224 20 30 CEEDHN CCSCCNCc1ccc(C#N)c(OC)c1 ZINC000336707320 365772275 /nfs/dbraw/zinc/77/22/75/365772275.db2.gz NIBVLZIPHOATFN-UHFFFAOYSA-N 0 3 250.367 2.410 20 30 CEEDHN C=CCOCCN[C@H](C)c1sc(CCOC)nc1C ZINC000679576700 539328357 /nfs/dbraw/zinc/32/83/57/539328357.db2.gz ROFIEKRNQGUXRG-LLVKDONJSA-N 0 3 284.425 2.494 20 30 CEEDHN Cc1nnc(N[C@@H](C)CN2CCC[C@H](C)C2)c(C#N)c1C ZINC000054981105 343596471 /nfs/dbraw/zinc/59/64/71/343596471.db2.gz VZLJKHNGIBAZSX-RYUDHWBXSA-N 0 3 287.411 2.497 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CCC[C@@H]1C1CCCC1)C1CC1 ZINC000055927881 343611102 /nfs/dbraw/zinc/61/11/02/343611102.db2.gz PIPOQFSPERRUER-NVXWUHKLSA-N 0 3 289.423 2.449 20 30 CEEDHN CC[C@@H](NCc1cccc(F)c1C#N)C(C)(C)O ZINC000602025889 346963166 /nfs/dbraw/zinc/96/31/66/346963166.db2.gz RKNCKQPPLPNHNF-CYBMUJFWSA-N 0 3 250.317 2.336 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc(F)ccc2C)CC1 ZINC000067704709 343742227 /nfs/dbraw/zinc/74/22/27/343742227.db2.gz HASHNZZGUDDEHM-UHFFFAOYSA-N 0 3 274.339 2.418 20 30 CEEDHN CN1C[C@H](NC(=O)[C@@H]2CCC(=O)N2)[C@H](c2ccccc2)C1 ZINC000329243433 529824370 /nfs/dbraw/zinc/82/43/70/529824370.db2.gz PBLHXCTTWFQJRU-IHRRRGAJSA-N 0 3 287.363 2.160 20 30 CEEDHN C#CCNC(=O)[C@H](C)N(CCC)CCc1cccs1 ZINC000299475551 260186824 /nfs/dbraw/zinc/18/68/24/260186824.db2.gz YZDMMNDTZXVUGL-ZDUSSCGKSA-N 0 3 278.421 2.141 20 30 CEEDHN CC(C)CN(C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000068335000 343761596 /nfs/dbraw/zinc/76/15/96/343761596.db2.gz UUSOQOUJXASNFG-OCCSQVGLSA-N 0 3 253.390 2.017 20 30 CEEDHN CC(C)N(CCN1CCCC1=O)Cc1ccc(C#N)cc1 ZINC000069071100 343779320 /nfs/dbraw/zinc/77/93/20/343779320.db2.gz KPABZUNNUPBJNR-UHFFFAOYSA-N 0 3 285.391 2.391 20 30 CEEDHN N#Cc1cc(F)c(NC[C@H]2CN3CCC[C@@H]3CO2)c(F)c1 ZINC000127001360 187275680 /nfs/dbraw/zinc/27/56/80/187275680.db2.gz XTLIXHJYORHNJM-NEPJUHHUSA-N 0 3 293.317 2.112 20 30 CEEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)C1CCC1 ZINC000075841738 343868546 /nfs/dbraw/zinc/86/85/46/343868546.db2.gz LALHPWHTQPQNKG-UHFFFAOYSA-N 0 3 263.385 2.156 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)N(C)C[C@@H](C)C#N ZINC000077644954 343927886 /nfs/dbraw/zinc/92/78/86/343927886.db2.gz AVDGQNIVOOVSGQ-KBPBESRZSA-N 0 3 280.416 2.052 20 30 CEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(C)(C)C#N ZINC000408067337 260210316 /nfs/dbraw/zinc/21/03/16/260210316.db2.gz KGAJSMPEOWONJO-UPJWGTAASA-N 0 3 265.401 2.019 20 30 CEEDHN C[C@H](C(=O)N(C)C1(C#N)CCC1)N1CCCCCC1 ZINC000081288793 344044603 /nfs/dbraw/zinc/04/46/03/344044603.db2.gz VOYBHWVJYCXNEK-CYBMUJFWSA-N 0 3 263.385 2.156 20 30 CEEDHN CN(CCOc1ccccc1C#N)C[C@@H]1CCCO1 ZINC000048571346 362286562 /nfs/dbraw/zinc/28/65/62/362286562.db2.gz ZLWDSHXVCMKPLX-AWEZNQCLSA-N 0 3 260.337 2.048 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(Cc2nc(C)no2)CC1 ZINC000091579859 344167218 /nfs/dbraw/zinc/16/72/18/344167218.db2.gz WGPZDBNHFQYPAM-CYBMUJFWSA-N 0 3 278.400 2.240 20 30 CEEDHN N#Cc1csc(CN2CCC[C@H](CCO)C2)c1 ZINC000093107363 344214077 /nfs/dbraw/zinc/21/40/77/344214077.db2.gz QOPPMLRGHPZEPX-LLVKDONJSA-N 0 3 250.367 2.214 20 30 CEEDHN CO[C@@](C)(CN1CCN(c2ccccc2C#N)CC1)C1CC1 ZINC000602438226 347032120 /nfs/dbraw/zinc/03/21/20/347032120.db2.gz ORIFUEREJVRXOW-SFHVURJKSA-N 0 3 299.418 2.495 20 30 CEEDHN CCOC(=O)CCN(Cc1cccc(C#N)n1)CC1CC1 ZINC000602452861 347039898 /nfs/dbraw/zinc/03/98/98/347039898.db2.gz WHFOWFXDTCPTTN-UHFFFAOYSA-N 0 3 287.363 2.118 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)NCc1ccc(C#N)cc1F ZINC000105600817 344256596 /nfs/dbraw/zinc/25/65/96/344256596.db2.gz AFILZRSQLSOHAH-OAHLLOKOSA-N 0 3 289.354 2.188 20 30 CEEDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1ccnc(C#N)c1 ZINC000124180697 344313774 /nfs/dbraw/zinc/31/37/74/344313774.db2.gz WYNYMUSKMFDXEF-CZUORRHYSA-N 0 3 273.380 2.469 20 30 CEEDHN C=CCCCN(C)Cc1cc(=O)n2c(C)cccc2n1 ZINC000121102517 344301564 /nfs/dbraw/zinc/30/15/64/344301564.db2.gz KTOFWRREHQOFET-UHFFFAOYSA-N 0 3 271.364 2.401 20 30 CEEDHN C[C@H](CCC#N)CN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000602476311 347050846 /nfs/dbraw/zinc/05/08/46/347050846.db2.gz MTIMRNHGMGYETO-MCIONIFRSA-N 0 3 286.441 2.214 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](CCO)C1 ZINC000166233750 344476016 /nfs/dbraw/zinc/47/60/16/344476016.db2.gz CGICYIDNSSVFSR-AWEZNQCLSA-N 0 3 258.365 2.461 20 30 CEEDHN C#CCNC(=O)[C@H](C)N(C)CCCCc1ccccc1 ZINC000193439066 344518657 /nfs/dbraw/zinc/51/86/57/344518657.db2.gz CRGWWEZAWNOAQE-HNNXBMFYSA-N 0 3 272.392 2.079 20 30 CEEDHN C[C@H](CC#N)N(C)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000226828066 344551539 /nfs/dbraw/zinc/55/15/39/344551539.db2.gz XLCVUMGYFBYHLK-MBNYWOFBSA-N 0 3 259.353 2.083 20 30 CEEDHN COCCOc1ncccc1CNC[C@@H](C)CCC#N ZINC000602515806 347063339 /nfs/dbraw/zinc/06/33/39/347063339.db2.gz YNKQXWXOKJKQLO-ZDUSSCGKSA-N 0 3 277.368 2.136 20 30 CEEDHN CCN1CCN(Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000253284039 344644097 /nfs/dbraw/zinc/64/40/97/344644097.db2.gz MOBVITDYPQVPHM-CQSZACIVSA-N 0 3 257.381 2.393 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@@H]1C[C@@H](C)O ZINC000312771986 344739690 /nfs/dbraw/zinc/73/96/90/344739690.db2.gz DONNWRZBRHKZLH-HUUCEWRRSA-N 0 3 282.428 2.036 20 30 CEEDHN CC1(NC(=O)[C@@H](N)CCCC#N)CCC(F)(F)CC1 ZINC000602535106 347069489 /nfs/dbraw/zinc/06/94/89/347069489.db2.gz NCCBNCJMYNNKAN-JTQLQIEISA-N 0 3 273.327 2.092 20 30 CEEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000289680326 344682533 /nfs/dbraw/zinc/68/25/33/344682533.db2.gz HRQYAUBEMVJRAD-GXTWGEPZSA-N 0 3 274.364 2.011 20 30 CEEDHN CSC[C@@H](CCO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000305801409 344710856 /nfs/dbraw/zinc/71/08/56/344710856.db2.gz GFCXLQBEUQQRGF-GXFFZTMASA-N 0 3 282.384 2.462 20 30 CEEDHN CCO[C@H]1C[C@@H](NCc2cccc(C#N)n2)C12CCC2 ZINC000602548677 347072248 /nfs/dbraw/zinc/07/22/48/347072248.db2.gz VEMFTSDPTKPCHB-CABCVRRESA-N 0 3 271.364 2.391 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000602542768 347070921 /nfs/dbraw/zinc/07/09/21/347070921.db2.gz XBUGGPSMINUFRG-UKRRQHHQSA-N 0 3 286.379 2.060 20 30 CEEDHN N#CCCCCC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000602552057 347074173 /nfs/dbraw/zinc/07/41/73/347074173.db2.gz RTRWCBAPJXGNRN-UHFFFAOYSA-N 0 3 273.336 2.191 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000602559180 347076857 /nfs/dbraw/zinc/07/68/57/347076857.db2.gz USLJRGCFWKVWGE-RWMBFGLXSA-N 0 3 277.393 2.131 20 30 CEEDHN C[C@@H]1CCN[C@@H](C(=O)N2CCc3c(CC#N)cccc3C2)C1 ZINC000602573978 347084234 /nfs/dbraw/zinc/08/42/34/347084234.db2.gz PBSMGHWYBBGOGS-CXAGYDPISA-N 0 3 297.402 2.025 20 30 CEEDHN C=CC1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000418640653 344894198 /nfs/dbraw/zinc/89/41/98/344894198.db2.gz RDGQWLHFCPWMMK-KRWDZBQOSA-N 0 3 299.418 2.481 20 30 CEEDHN C=CCN1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000493804014 344920365 /nfs/dbraw/zinc/92/03/65/344920365.db2.gz BQFUUSFAESIKMK-NEPJUHHUSA-N 0 3 254.374 2.408 20 30 CEEDHN C[C@@H](C#N)CNC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000054180816 362518164 /nfs/dbraw/zinc/51/81/64/362518164.db2.gz CDCQWNPXFVRVFO-NSHDSACASA-N 0 3 267.373 2.135 20 30 CEEDHN N#Cc1cccc(CNCCC(=O)NC2CCCCC2)c1 ZINC000054203338 362519118 /nfs/dbraw/zinc/51/91/18/362519118.db2.gz NEPVNWOALOYPGR-UHFFFAOYSA-N 0 3 285.391 2.487 20 30 CEEDHN Cc1cn[nH]c1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000589317401 345077263 /nfs/dbraw/zinc/07/72/63/345077263.db2.gz HZYGHNILHVUKKL-AWEZNQCLSA-N 0 3 252.321 2.367 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CC1(C#N)CC1 ZINC000590229076 345122500 /nfs/dbraw/zinc/12/25/00/345122500.db2.gz FSIMIJUFCFBKPY-CHWSQXEVSA-N 0 3 263.385 2.059 20 30 CEEDHN CO[C@@H]1[C@H](C)[C@H](NCc2ccnc(C#N)c2)C1(C)C ZINC000590756762 345175100 /nfs/dbraw/zinc/17/51/00/345175100.db2.gz MHMRAAJZOTVHTH-DDTOSNHZSA-N 0 3 259.353 2.102 20 30 CEEDHN C[C@@]1(C#N)CCCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000591310181 345238739 /nfs/dbraw/zinc/23/87/39/345238739.db2.gz BJYXRVQUHOXQBA-KRWDZBQOSA-N 0 3 298.390 2.490 20 30 CEEDHN Cc1c(Cl)cnc(N2C[C@H](C)NC[C@@H]2C)c1C#N ZINC000591433939 345252308 /nfs/dbraw/zinc/25/23/08/345252308.db2.gz RARZOPBKVIZLCT-IUCAKERBSA-N 0 3 264.760 2.102 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000591602149 345269133 /nfs/dbraw/zinc/26/91/33/345269133.db2.gz SORXQDIDFSSKKX-HUUCEWRRSA-N 0 3 287.363 2.077 20 30 CEEDHN N#Cc1cccc([N+](=O)[O-])c1N1CC[C@H](N2CCCC2)C1 ZINC000591820847 345284652 /nfs/dbraw/zinc/28/46/52/345284652.db2.gz FYMJQAPDBVOIRE-ZDUSSCGKSA-N 0 3 286.335 2.141 20 30 CEEDHN CN(Cc1ccccc1)[C@H]1CCN(c2ncncc2C#N)C1 ZINC000591917622 345299268 /nfs/dbraw/zinc/29/92/68/345299268.db2.gz ZHERACJFFTZMSJ-INIZCTEOSA-N 0 3 293.374 2.059 20 30 CEEDHN Cc1cc(N2CC[C@](O)(CC#N)C2)c2ccccc2n1 ZINC000591977308 345309635 /nfs/dbraw/zinc/30/96/35/345309635.db2.gz WGYVPAJATSYSSR-MRXNPFEDSA-N 0 3 267.332 2.398 20 30 CEEDHN N#Cc1ccc([C@H](NCC2CCC(F)CC2)C(N)=O)cc1 ZINC000592445016 345353959 /nfs/dbraw/zinc/35/39/59/345353959.db2.gz DSKJYUROKPRHCS-ZALBZXLWSA-N 0 3 289.354 2.203 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1C1CCC1 ZINC000592569746 345370240 /nfs/dbraw/zinc/37/02/40/345370240.db2.gz CRSIMVJXOPDHCU-UONOGXRCSA-N 0 3 263.385 2.189 20 30 CEEDHN N#Cc1cccc(CN2CCC(Cn3cnnc3)CC2)c1 ZINC000593077021 345434834 /nfs/dbraw/zinc/43/48/34/345434834.db2.gz IGJAPGVCBFKEGH-UHFFFAOYSA-N 0 3 281.363 2.062 20 30 CEEDHN C[C@@H](CO)C1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000593085277 345435702 /nfs/dbraw/zinc/43/57/02/345435702.db2.gz TUZLNJADFLZBJJ-AWEZNQCLSA-N 0 3 288.391 2.277 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592827946 345401191 /nfs/dbraw/zinc/40/11/91/345401191.db2.gz IXGVVTRFRZBSJM-XJKSGUPXSA-N 0 3 286.375 2.336 20 30 CEEDHN CCCN(C(=O)CCCCCC#N)[C@H]1CCN(C)C1 ZINC000592829781 345401981 /nfs/dbraw/zinc/40/19/81/345401981.db2.gz YRWKSXFLSXHSAZ-AWEZNQCLSA-N 0 3 265.401 2.403 20 30 CEEDHN CC[C@@H](C#N)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000593448001 345488951 /nfs/dbraw/zinc/48/89/51/345488951.db2.gz KVUFPTNJEUYKCA-KBPBESRZSA-N 0 3 263.385 2.013 20 30 CEEDHN CN(CCN1CCCCC1)c1c(C#N)nnc2ccccc21 ZINC000593514848 345501472 /nfs/dbraw/zinc/50/14/72/345501472.db2.gz BGPDKCCHFQAVQN-UHFFFAOYSA-N 0 3 295.390 2.424 20 30 CEEDHN CC[C@@H](C#N)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000593512391 345501665 /nfs/dbraw/zinc/50/16/65/345501665.db2.gz VQTPVHXIAVESTG-LBPRGKRZSA-N 0 3 279.409 2.188 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)N2Cc3cccc(C#N)c3C2)CCN1C ZINC000593358185 345470405 /nfs/dbraw/zinc/47/04/05/345470405.db2.gz HVPIUXGLIJZILA-SWLSCSKDSA-N 0 3 298.390 2.066 20 30 CEEDHN CC[C@H](C#N)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000593427710 345483589 /nfs/dbraw/zinc/48/35/89/345483589.db2.gz XZDNIICFZKHSTQ-CQSZACIVSA-N 0 3 291.370 2.266 20 30 CEEDHN Cn1c(=O)ccc2c1CCC[C@@H]2NCc1ccc(C#N)s1 ZINC000593695133 345523608 /nfs/dbraw/zinc/52/36/08/345523608.db2.gz WSZFVVHWGCYTDO-AWEZNQCLSA-N 0 3 299.399 2.486 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1(C#N)CCCC1 ZINC000593779795 345536915 /nfs/dbraw/zinc/53/69/15/345536915.db2.gz RBZVEIKNTAYAMT-CHWSQXEVSA-N 0 3 263.385 2.059 20 30 CEEDHN N#CCCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000593949237 345554990 /nfs/dbraw/zinc/55/49/90/345554990.db2.gz ZOMPXOSFPOGVAQ-INIZCTEOSA-N 0 3 285.391 2.461 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)C1CCN(C)CC1 ZINC000593962591 345556848 /nfs/dbraw/zinc/55/68/48/345556848.db2.gz SBEHRPZXIKGGJQ-CQSZACIVSA-N 0 3 299.418 2.289 20 30 CEEDHN CC(C)OC[C@H](O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032071 345569845 /nfs/dbraw/zinc/56/98/45/345569845.db2.gz CHISPCOWAFDWRW-MRXNPFEDSA-N 0 3 288.391 2.313 20 30 CEEDHN C[C@@H]1CN(CCNC2(c3ccc(C#N)cc3)CCC2)CCO1 ZINC000594032907 345569940 /nfs/dbraw/zinc/56/99/40/345569940.db2.gz DHFOQKCYPQRBBY-OAHLLOKOSA-N 0 3 299.418 2.248 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](CC1CCCCC1)C(=O)OC ZINC000593652526 345516426 /nfs/dbraw/zinc/51/64/26/345516426.db2.gz GEJSBFVMWAMDNE-CHWSQXEVSA-N 0 3 280.368 2.164 20 30 CEEDHN Cc1cc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)ncc1C#N ZINC000594195963 345596975 /nfs/dbraw/zinc/59/69/75/345596975.db2.gz JLYKXPFMIOSBTK-HOCLYGCPSA-N 0 3 298.390 2.008 20 30 CEEDHN N#CCc1cccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594201224 345597443 /nfs/dbraw/zinc/59/74/43/345597443.db2.gz OWJXFLVPFCMYQT-IRXDYDNUSA-N 0 3 297.402 2.499 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1CN(C)C ZINC000594283263 345608074 /nfs/dbraw/zinc/60/80/74/345608074.db2.gz VOLHIWJVSSKCHT-YOEHRIQHSA-N 0 3 299.418 2.289 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594282926 345608579 /nfs/dbraw/zinc/60/85/79/345608579.db2.gz CCLXPVHWODWVJS-KGLIPLIRSA-N 0 3 292.427 2.194 20 30 CEEDHN N#CCCCCC(=O)Nc1cccc2c1CCNC2 ZINC000594425000 345625532 /nfs/dbraw/zinc/62/55/32/345625532.db2.gz IPWLYRMZVVEVPU-UHFFFAOYSA-N 0 3 257.337 2.355 20 30 CEEDHN Cc1ccccc1CN(C)C(=O)[C@H](N)CCCCC#N ZINC000594425953 345625623 /nfs/dbraw/zinc/62/56/23/345625623.db2.gz NKCYKOJGEMKUSV-OAHLLOKOSA-N 0 3 273.380 2.365 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCc1cccc(Cl)c1 ZINC000594424594 345625711 /nfs/dbraw/zinc/62/57/11/345625711.db2.gz GOZPJTBPAKJATE-CYBMUJFWSA-N 0 3 279.771 2.367 20 30 CEEDHN COc1ccccc1[C@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594427066 345626451 /nfs/dbraw/zinc/62/64/51/345626451.db2.gz UIKNITBZGFNCFQ-GXTWGEPZSA-N 0 3 289.379 2.284 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(F)c(F)c1 ZINC000594426680 345626786 /nfs/dbraw/zinc/62/67/86/345626786.db2.gz QYIXGHXOZHRMPU-GFCCVEGCSA-N 0 3 267.279 2.315 20 30 CEEDHN CN(CCc1cccs1)C(=O)[C@@H](N)CCCCC#N ZINC000594432458 345628497 /nfs/dbraw/zinc/62/84/97/345628497.db2.gz AOPODWAUFIKECO-ZDUSSCGKSA-N 0 3 279.409 2.160 20 30 CEEDHN C[C@]1(c2ccccc2)C[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594433045 345629031 /nfs/dbraw/zinc/62/90/31/345629031.db2.gz JXZVWOFFEMYZFQ-ZMSDIMECSA-N 0 3 285.391 2.244 20 30 CEEDHN C[C@@H]1CC[C@H](NC(=O)[C@@H](N)CCCCC#N)[C@@H](C)C1 ZINC000594434933 345629605 /nfs/dbraw/zinc/62/96/05/345629605.db2.gz WXTAYPWGSXQLSJ-RFGFWPKPSA-N 0 3 265.401 2.339 20 30 CEEDHN CN1CCc2ccc(NC(=O)[C@H](N)CCCCC#N)cc21 ZINC000594436733 345629930 /nfs/dbraw/zinc/62/99/30/345629930.db2.gz QHIKBTXLRXJBAM-CQSZACIVSA-N 0 3 286.379 2.029 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000594436846 345629992 /nfs/dbraw/zinc/62/99/92/345629992.db2.gz KCBJUHGBKLYFCC-AWEZNQCLSA-N 0 3 286.379 2.310 20 30 CEEDHN Cc1csc(C(C)(C)NC(=O)[C@@H](N)CCCCC#N)n1 ZINC000594441678 345631206 /nfs/dbraw/zinc/63/12/06/345631206.db2.gz URMHUFGGKLUYSW-NSHDSACASA-N 0 3 294.424 2.214 20 30 CEEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCCC#N)[C@H]2CCCC[C@H]12 ZINC000594439028 345631455 /nfs/dbraw/zinc/63/14/55/345631455.db2.gz ZECCYUPRJGYJPL-TUVASFSCSA-N 0 3 277.412 2.435 20 30 CEEDHN C[C@H](c1ccncc1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594444282 345632221 /nfs/dbraw/zinc/63/22/21/345632221.db2.gz NUQGETREMDBBNQ-TZMCWYRMSA-N 0 3 274.368 2.012 20 30 CEEDHN CCN(C(=O)[C@@H](N)CCCCC#N)c1nc(C)cs1 ZINC000594444125 345632231 /nfs/dbraw/zinc/63/22/31/345632231.db2.gz LDQIWRFMGOSBDI-NSHDSACASA-N 0 3 280.397 2.216 20 30 CEEDHN CC[C@H](C)CN(CC)C(=O)[C@@H](N)CCCCC#N ZINC000594445653 345632772 /nfs/dbraw/zinc/63/27/72/345632772.db2.gz JNLGNXZQBOBLJT-STQMWFEESA-N 0 3 253.390 2.292 20 30 CEEDHN CC(C)(CNC(=O)[C@@H](N)CCCCC#N)[C@H]1CCCCO1 ZINC000594445726 345632832 /nfs/dbraw/zinc/63/28/32/345632832.db2.gz KQSRXTMZBXVAFR-UONOGXRCSA-N 0 3 295.427 2.109 20 30 CEEDHN COCC[C@H]1CCCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594457323 345635512 /nfs/dbraw/zinc/63/55/12/345635512.db2.gz YFEKBAYHGDNSOB-HUUCEWRRSA-N 0 3 295.427 2.063 20 30 CEEDHN N#Cc1cccnc1N[C@H]1CCCN2CCCC[C@H]12 ZINC000594603373 345657547 /nfs/dbraw/zinc/65/75/47/345657547.db2.gz UQCGAAGWSBXAEH-UONOGXRCSA-N 0 3 256.353 2.382 20 30 CEEDHN N#CC1(C(=O)N2CCNC3(CCCCC3)C2)CCCC1 ZINC000594628870 345663328 /nfs/dbraw/zinc/66/33/28/345663328.db2.gz MQQXHQZQVVGCRL-UHFFFAOYSA-N 0 3 275.396 2.205 20 30 CEEDHN C[C@H](CC(=O)N(C)C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594517048 345643068 /nfs/dbraw/zinc/64/30/68/345643068.db2.gz UOGIOHFZUGRQTH-CYBMUJFWSA-N 0 3 285.391 2.394 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)n1 ZINC000602580448 347087264 /nfs/dbraw/zinc/08/72/64/347087264.db2.gz ATSYZGJDQUJXCF-ARFHVFGLSA-N 0 3 283.375 2.391 20 30 CEEDHN CNCc1ccccc1NC(=O)N1CC[C@](C)(C#N)C1 ZINC000595236132 345746601 /nfs/dbraw/zinc/74/66/01/345746601.db2.gz IMHKQBFPYKYEIT-OAHLLOKOSA-N 0 3 272.352 2.173 20 30 CEEDHN C[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000594963405 345717632 /nfs/dbraw/zinc/71/76/32/345717632.db2.gz VBUCGKZMDRXTTA-CKNLXJGOSA-N 0 3 294.395 2.477 20 30 CEEDHN N#Cc1ccc(CNCC(O)(C2CC2)C2CC2)c(F)c1 ZINC000594983944 345721385 /nfs/dbraw/zinc/72/13/85/345721385.db2.gz RQIXXLWPQDVNBI-UHFFFAOYSA-N 0 3 274.339 2.338 20 30 CEEDHN CN(C)C(=O)N1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000594982175 345721428 /nfs/dbraw/zinc/72/14/28/345721428.db2.gz ZZYALHHTGLBEMA-UHFFFAOYSA-N 0 3 292.427 2.196 20 30 CEEDHN Cc1cc(CN[C@@H]2C[C@@H](O)C23CCC3)ccc1C#N ZINC000594987843 345722603 /nfs/dbraw/zinc/72/26/03/345722603.db2.gz LFBPDLXVSWCHEM-HUUCEWRRSA-N 0 3 256.349 2.260 20 30 CEEDHN N#Cc1ccc(CCN2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000595352865 345766965 /nfs/dbraw/zinc/76/69/65/345766965.db2.gz PTQRNNAXSVYSDU-HZPDHXFCSA-N 0 3 288.416 2.307 20 30 CEEDHN Cc1cc(C#N)ccc1CN(CCOCCO)C1CCC1 ZINC000595595744 345821377 /nfs/dbraw/zinc/82/13/77/345821377.db2.gz LUUTVQAGOQILQV-UHFFFAOYSA-N 0 3 288.391 2.230 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595502234 345797173 /nfs/dbraw/zinc/79/71/73/345797173.db2.gz XKGCWTDJQWTTOA-LSDHHAIUSA-N 0 3 292.427 2.196 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595507439 345798063 /nfs/dbraw/zinc/79/80/63/345798063.db2.gz NIIMRCGJGMCOQH-GOEBONIOSA-N 0 3 292.427 2.196 20 30 CEEDHN COc1ccc(C#N)cc1CN(C1CC1)C1(CO)CCC1 ZINC000595534174 345805124 /nfs/dbraw/zinc/80/51/24/345805124.db2.gz QICIJDNNEDXKAA-UHFFFAOYSA-N 0 3 286.375 2.446 20 30 CEEDHN N#CC[C@@H]1CCCN(C[C@@H](O)COCc2cccs2)C1 ZINC000595610000 345827344 /nfs/dbraw/zinc/82/73/44/345827344.db2.gz RKLPPYXEYAWEJR-UONOGXRCSA-N 0 3 294.420 2.251 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CO)C2CCC2)c(OC(F)F)c1 ZINC000595615536 345828304 /nfs/dbraw/zinc/82/83/04/345828304.db2.gz ISORCNQYAKZTKL-ZDUSSCGKSA-N 0 3 296.317 2.410 20 30 CEEDHN COC(=O)C(C)(C)CCN1CCC[C@H](CC#N)C1 ZINC000595623654 345830711 /nfs/dbraw/zinc/83/07/11/345830711.db2.gz WHNVHKUJBGSHKN-GFCCVEGCSA-N 0 3 252.358 2.201 20 30 CEEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000595662039 345841043 /nfs/dbraw/zinc/84/10/43/345841043.db2.gz YTAVHCNPHGKEKS-KGLIPLIRSA-N 0 3 275.396 2.225 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CNC1(CC(C)C)CC1 ZINC000595829929 345888723 /nfs/dbraw/zinc/88/87/23/345888723.db2.gz ARVINNDUMMBGFW-ZDUSSCGKSA-N 0 3 265.401 2.163 20 30 CEEDHN C[C@]12COC[C@H]1CN(Cc1ccc(C#N)c(F)c1)C2 ZINC000595755806 345867711 /nfs/dbraw/zinc/86/77/11/345867711.db2.gz CYEXVOJQEOQTPR-HIFRSBDPSA-N 0 3 260.312 2.166 20 30 CEEDHN C=CCN(CC(=O)NCc1ccc(C#N)cc1)C(C)(C)C ZINC000595764047 345870257 /nfs/dbraw/zinc/87/02/57/345870257.db2.gz WGAAEYVXOOVXDG-UHFFFAOYSA-N 0 3 285.391 2.461 20 30 CEEDHN Cn1cc(C[C@@H]2CCC[C@@H]2NCc2ccncc2C#N)cn1 ZINC000595772682 345872879 /nfs/dbraw/zinc/87/28/79/345872879.db2.gz UJOZTVRENJMPRM-YOEHRIQHSA-N 0 3 295.390 2.188 20 30 CEEDHN N#Cc1cccc(CN[C@H]2C[C@@H](O)C23CCC3)c1F ZINC000595781508 345875361 /nfs/dbraw/zinc/87/53/61/345875361.db2.gz LKINOTHERWKAIK-QWHCGFSZSA-N 0 3 260.312 2.090 20 30 CEEDHN CCCN1CCN(c2cc(C)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000596053422 345929120 /nfs/dbraw/zinc/92/91/20/345929120.db2.gz DPQCHWHUOIOLEN-UHFFFAOYSA-N 0 3 288.351 2.307 20 30 CEEDHN COc1cccc([C@@H](CNc2c(C#N)cnn2C)N(C)C)c1 ZINC000596056102 345929606 /nfs/dbraw/zinc/92/96/06/345929606.db2.gz XZYUDMVFESVHEU-OAHLLOKOSA-N 0 3 299.378 2.015 20 30 CEEDHN N#CCSCCCN[C@@H](CO)c1ccc(F)cc1F ZINC000595867123 345900889 /nfs/dbraw/zinc/90/08/89/345900889.db2.gz LMKLNBBPZXNWCW-ZDUSSCGKSA-N 0 3 286.347 2.235 20 30 CEEDHN CC[C@@H]1CCC[C@H](C)N1CC(=O)N(CC)CCC#N ZINC000595867704 345901156 /nfs/dbraw/zinc/90/11/56/345901156.db2.gz OKBONSBVGQTBOS-UONOGXRCSA-N 0 3 265.401 2.402 20 30 CEEDHN CC[C@H](C)[N@H+](C)CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596105923 345940722 /nfs/dbraw/zinc/94/07/22/345940722.db2.gz QPSZIRKNCQFEBD-QMMMGPOBSA-N 0 3 272.805 2.232 20 30 CEEDHN CC[C@H](C)[N@@H+](C)CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596105923 345940724 /nfs/dbraw/zinc/94/07/24/345940724.db2.gz QPSZIRKNCQFEBD-QMMMGPOBSA-N 0 3 272.805 2.232 20 30 CEEDHN CN(c1nc2ncccc2cc1C#N)[C@@H]1CCN(C2CC2)C1 ZINC000596123942 345945122 /nfs/dbraw/zinc/94/51/22/345945122.db2.gz SXLADOGFRAAKEB-OAHLLOKOSA-N 0 3 293.374 2.174 20 30 CEEDHN Cc1cc(N2CCN3CCC2CC3)cc(C#N)c1[N+](=O)[O-] ZINC000596207031 345969503 /nfs/dbraw/zinc/96/95/03/345969503.db2.gz YWEDVWHBVBCJSW-UHFFFAOYSA-N 0 3 286.335 2.059 20 30 CEEDHN CN1CC[C@]2(CCN(c3nc4ncccc4cc3C#N)C2)C1 ZINC000596241436 345978550 /nfs/dbraw/zinc/97/85/50/345978550.db2.gz FGPWPVDGIPITLI-KRWDZBQOSA-N 0 3 293.374 2.033 20 30 CEEDHN Cc1cc(C#N)nc(N2CCN(C)C3(CCCCC3)C2)n1 ZINC000596251441 345981206 /nfs/dbraw/zinc/98/12/06/345981206.db2.gz SYHKLDPQTFSIAM-UHFFFAOYSA-N 0 3 285.395 2.111 20 30 CEEDHN CC(C)N1CCCC[C@H]1CNc1n[nH]c(C2CC2)c1C#N ZINC000596272468 345987576 /nfs/dbraw/zinc/98/75/76/345987576.db2.gz QZAGPBBOQBRTMP-ZDUSSCGKSA-N 0 3 287.411 2.255 20 30 CEEDHN CC(C)C[N@H+](C)CCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596289743 345992137 /nfs/dbraw/zinc/99/21/37/345992137.db2.gz UKGPEXJJFAPJHY-UHFFFAOYSA-N 0 3 286.832 2.480 20 30 CEEDHN CC(C)C[N@@H+](C)CCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596289743 345992139 /nfs/dbraw/zinc/99/21/39/345992139.db2.gz UKGPEXJJFAPJHY-UHFFFAOYSA-N 0 3 286.832 2.480 20 30 CEEDHN C=CCCSCCNC(=O)N[C@H](CC)CN1CCCC1 ZINC000596479207 346033727 /nfs/dbraw/zinc/03/37/27/346033727.db2.gz MOVDHMPZJKTVOU-CQSZACIVSA-N 0 3 299.484 2.469 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)NCC1(C#N)CCC1 ZINC000596633315 346068636 /nfs/dbraw/zinc/06/86/36/346068636.db2.gz CHYQGMGVTWUHKB-AWEZNQCLSA-N 0 3 292.427 2.100 20 30 CEEDHN CCN(C(=O)Nc1cccc(CC#N)c1)[C@@H]1CCN(C)C1 ZINC000596929402 346107290 /nfs/dbraw/zinc/10/72/90/346107290.db2.gz ORMUTFRHFWJNIL-OAHLLOKOSA-N 0 3 286.379 2.311 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)NCC1(C#N)CCCCC1 ZINC000596859106 346097377 /nfs/dbraw/zinc/09/73/77/346097377.db2.gz FVSNTZXCAFUHBQ-CQSZACIVSA-N 0 3 292.427 2.196 20 30 CEEDHN N#CC[C@H]1CCCN(Cc2ccc(-n3cncn3)cc2)C1 ZINC000597175115 346141017 /nfs/dbraw/zinc/14/10/17/346141017.db2.gz WSEXMUFOYWQSHS-CQSZACIVSA-N 0 3 281.363 2.393 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)[C@H](C)CC#N)N(C)C)cc1 ZINC000596972111 346110904 /nfs/dbraw/zinc/11/09/04/346110904.db2.gz SCBCHDXBXOFDCD-HIFRSBDPSA-N 0 3 273.380 2.264 20 30 CEEDHN C[C@H](CC#N)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000596973575 346111333 /nfs/dbraw/zinc/11/13/33/346111333.db2.gz PUBRVRAOGZFYBP-CYBMUJFWSA-N 0 3 291.370 2.266 20 30 CEEDHN N#CC1(CC(=O)N2CCN3CCC2CC3)CCCCC1 ZINC000597547828 346200619 /nfs/dbraw/zinc/20/06/19/346200619.db2.gz BWPBWFRTFHHQNI-UHFFFAOYSA-N 0 3 275.396 2.157 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)C(C)(C)CO ZINC000597575943 346202895 /nfs/dbraw/zinc/20/28/95/346202895.db2.gz AOVHDNANHIWRGH-AAEUAGOBSA-N 0 3 260.337 2.022 20 30 CEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000597606138 346206709 /nfs/dbraw/zinc/20/67/09/346206709.db2.gz VCQRURIONWOAEX-QMIVOQANSA-N 0 3 278.396 2.324 20 30 CEEDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(CC#N)cc1)C2 ZINC000597710404 346219301 /nfs/dbraw/zinc/21/93/01/346219301.db2.gz LYMHEDDLJALREN-GOSISDBHSA-N 0 3 297.402 2.311 20 30 CEEDHN CN(C)[C@@H](CNCc1cccc(C#N)n1)c1cccs1 ZINC000602585189 347089382 /nfs/dbraw/zinc/08/93/82/347089382.db2.gz CLPYDEXBGRPGKQ-AWEZNQCLSA-N 0 3 286.404 2.407 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@@H](CC#N)C1 ZINC000597910005 346251120 /nfs/dbraw/zinc/25/11/20/346251120.db2.gz SZMBJARRAGKGOS-MCIONIFRSA-N 0 3 263.385 2.011 20 30 CEEDHN CCN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@@H]1CCN(C)C1 ZINC000597944078 346255511 /nfs/dbraw/zinc/25/55/11/346255511.db2.gz BYGLYSDHODLNDD-IXDOHACOSA-N 0 3 297.402 2.214 20 30 CEEDHN CCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CCN(C)C1 ZINC000597945049 346256160 /nfs/dbraw/zinc/25/61/60/346256160.db2.gz GYQJULKXELBOBL-ZDUSSCGKSA-N 0 3 291.782 2.378 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)c2ccc(C#N)cc2C)C1 ZINC000598341612 346332021 /nfs/dbraw/zinc/33/20/21/346332021.db2.gz DQWSKOFOXZNKSO-CQSZACIVSA-N 0 3 271.364 2.081 20 30 CEEDHN C[C@H](O)[C@H]1CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000598240046 346314041 /nfs/dbraw/zinc/31/40/41/346314041.db2.gz XPBMKQCRLKIZPR-CWRNSKLLSA-N 0 3 286.375 2.131 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000598296260 346321548 /nfs/dbraw/zinc/32/15/48/346321548.db2.gz LJJXYHUMCFMHFW-GRYCIOLGSA-N 0 3 264.369 2.389 20 30 CEEDHN N#Cc1ccc(O[C@H]2CCN(CC3CCC(=O)CC3)C2)nc1 ZINC000295145600 199370976 /nfs/dbraw/zinc/37/09/76/199370976.db2.gz ASIUHHYHXDLMQZ-INIZCTEOSA-N 0 3 299.374 2.166 20 30 CEEDHN CCN(C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)[C@H](C)C#N ZINC000598356691 346336765 /nfs/dbraw/zinc/33/67/65/346336765.db2.gz VGLACTNCEBQMDT-LPWJVIDDSA-N 0 3 251.374 2.008 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCN1 ZINC000598572109 346376171 /nfs/dbraw/zinc/37/61/71/346376171.db2.gz KZXLHPZLUHOUML-MRXNPFEDSA-N 0 3 297.402 2.312 20 30 CEEDHN CCC(C#N)C(=O)NC[C@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000598582133 346377529 /nfs/dbraw/zinc/37/75/29/346377529.db2.gz KJKGQXYAWMDKRL-AAEUAGOBSA-N 0 3 294.395 2.410 20 30 CEEDHN CN(Cc1cccs1)C[C@H](O)CC(C)(C)C#N ZINC000598587746 346378551 /nfs/dbraw/zinc/37/85/51/346378551.db2.gz VCLHNWPHHIUGFR-LLVKDONJSA-N 0 3 252.383 2.481 20 30 CEEDHN CN(C[C@H](O)CC(C)(C)C#N)[C@H]1CCCc2c1cnn2C ZINC000598596945 346380813 /nfs/dbraw/zinc/38/08/13/346380813.db2.gz OAAQXIVPIRNMPT-OCCSQVGLSA-N 0 3 290.411 2.030 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN[C@H](c1cccnc1)C1CC1 ZINC000598604784 346382779 /nfs/dbraw/zinc/38/27/79/346382779.db2.gz WWVDODTWPIHFCZ-GJZGRUSLSA-N 0 3 273.380 2.423 20 30 CEEDHN C[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)CC2(CCCC2)O1 ZINC000598626695 346387627 /nfs/dbraw/zinc/38/76/27/346387627.db2.gz ZKVVEBJGLVYVCF-ZIAGYGMSSA-N 0 3 280.412 2.321 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccccc1F ZINC000598704490 346404551 /nfs/dbraw/zinc/40/45/51/346404551.db2.gz QGHRYCSMEPVXSG-GFCCVEGCSA-N 0 3 250.317 2.216 20 30 CEEDHN COCC1(C2CCC2)CN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598705460 346405160 /nfs/dbraw/zinc/40/51/60/346405160.db2.gz KBUFNVPDBBLRMI-AWEZNQCLSA-N 0 3 280.412 2.036 20 30 CEEDHN COCc1cc(CNC[C@@H](O)CC(C)(C)C#N)ccc1F ZINC000598718080 346407032 /nfs/dbraw/zinc/40/70/32/346407032.db2.gz CEFVRZHKLLEVDY-AWEZNQCLSA-N 0 3 294.370 2.362 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@H](C)[C@@H](CO)C1 ZINC000598648073 346393610 /nfs/dbraw/zinc/39/36/10/346393610.db2.gz REDIAKFRXWUOLC-SWLSCSKDSA-N 0 3 274.364 2.017 20 30 CEEDHN C[C@@H](CCC#N)CN1CCN(Cc2cccnc2)CC1 ZINC000602591805 347091432 /nfs/dbraw/zinc/09/14/32/347091432.db2.gz NASFMGHDBGQRQT-HNNXBMFYSA-N 0 3 272.396 2.139 20 30 CEEDHN Cc1ccc(CN(C)C[C@H](O)CC2(C#N)CCOCC2)o1 ZINC000599256754 346484945 /nfs/dbraw/zinc/48/49/45/346484945.db2.gz DZJIOCYOXQZWKY-CQSZACIVSA-N 0 3 292.379 2.091 20 30 CEEDHN CC(C)(CC#N)CNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000599072889 346455709 /nfs/dbraw/zinc/45/57/09/346455709.db2.gz BHQKMZNQVKJHHQ-CQSZACIVSA-N 0 3 292.427 2.242 20 30 CEEDHN COC(=O)[C@H]1CCCCCN1C[C@@H](C)CCC#N ZINC000602596985 347094159 /nfs/dbraw/zinc/09/41/59/347094159.db2.gz PBHSXRZUUXNYNF-QWHCGFSZSA-N 0 3 252.358 2.344 20 30 CEEDHN COc1ccccc1[C@H](C)NC[C@@H](O)CC1(C#N)CC1 ZINC000599344555 346502534 /nfs/dbraw/zinc/50/25/34/346502534.db2.gz FZZPANJGPJKBFG-STQMWFEESA-N 0 3 274.364 2.401 20 30 CEEDHN COCC[C@@H](Cc1ccco1)NCc1cccc(C#N)n1 ZINC000602607932 347099215 /nfs/dbraw/zinc/09/92/15/347099215.db2.gz KYLISJRNIRXLER-ZDUSSCGKSA-N 0 3 285.347 2.284 20 30 CEEDHN N#Cc1ccc(CN[C@H](CO)Cc2ccccc2)c(F)c1 ZINC000063219424 362763111 /nfs/dbraw/zinc/76/31/11/362763111.db2.gz KKHGPOYVODPFSU-INIZCTEOSA-N 0 3 284.334 2.391 20 30 CEEDHN CN(C(=O)C[C@H](N)c1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602602004 347095329 /nfs/dbraw/zinc/09/53/29/347095329.db2.gz LYQCZNCRTFGQQN-QLFBSQMISA-N 0 3 271.364 2.227 20 30 CEEDHN CN(C(=O)c1cc2c(s1)CCNC2)[C@H]1CCC[C@@H]1C#N ZINC000602601008 347095898 /nfs/dbraw/zinc/09/58/98/347095898.db2.gz ILGJORFCNBGPEC-PWSUYJOCSA-N 0 3 289.404 2.158 20 30 CEEDHN Cc1ccc(CN2CCCC[C@H]2CC(N)=O)cc1C#N ZINC000599284229 346490671 /nfs/dbraw/zinc/49/06/71/346490671.db2.gz OPUQOLFPMYWKDI-HNNXBMFYSA-N 0 3 271.364 2.097 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN1CCCC2(CC2)CC1)C1CC1 ZINC000599672537 346560457 /nfs/dbraw/zinc/56/04/57/346560457.db2.gz FIUPQZRGRDTCIB-HNNXBMFYSA-N 0 3 275.396 2.061 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCc2c(CC#N)cccc2C1 ZINC000599678426 346562685 /nfs/dbraw/zinc/56/26/85/346562685.db2.gz QJUFDSJSMCTCON-INIZCTEOSA-N 0 3 297.402 2.412 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000599525932 346532124 /nfs/dbraw/zinc/53/21/24/346532124.db2.gz BYOLNZZYCHKPTR-CQSZACIVSA-N 0 3 283.375 2.072 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000599526802 346532253 /nfs/dbraw/zinc/53/22/53/346532253.db2.gz SVUISERXFNDCCU-MRXNPFEDSA-N 0 3 283.375 2.072 20 30 CEEDHN COC(=O)[C@@]1(OC)CCN(CCC2(C#N)CCCCC2)C1 ZINC000599558984 346537843 /nfs/dbraw/zinc/53/78/43/346537843.db2.gz QEEILKLWMYITCJ-MRXNPFEDSA-N 0 3 294.395 2.114 20 30 CEEDHN COC(=O)[C@]1(OC)CCN(CCC2(C#N)CCCCC2)C1 ZINC000599558965 346538447 /nfs/dbraw/zinc/53/84/47/346538447.db2.gz QEEILKLWMYITCJ-INIZCTEOSA-N 0 3 294.395 2.114 20 30 CEEDHN CCOCCNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000599634607 346549726 /nfs/dbraw/zinc/54/97/26/346549726.db2.gz XJZPOIAXHWSNLL-UHFFFAOYSA-N 0 3 274.364 2.190 20 30 CEEDHN N#Cc1ccncc1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600228802 346627989 /nfs/dbraw/zinc/62/79/89/346627989.db2.gz FOJUUYFECQKDNQ-OAHLLOKOSA-N 0 3 298.390 2.090 20 30 CEEDHN CCC(C#N)C(=O)N[C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000600288756 346631308 /nfs/dbraw/zinc/63/13/08/346631308.db2.gz XKNKRZMZKPECDD-IAQYHMDHSA-N 0 3 280.368 2.164 20 30 CEEDHN C=C(C)COCCNCc1cnc(C(C)(C)C)nc1 ZINC000336807425 365844006 /nfs/dbraw/zinc/84/40/06/365844006.db2.gz JUEIDTGUMVDBNY-UHFFFAOYSA-N 0 3 263.385 2.456 20 30 CEEDHN CC(C)[C@H](N)c1cn(-c2ccc(Cl)cc2C#N)nn1 ZINC000600975438 346724177 /nfs/dbraw/zinc/72/41/77/346724177.db2.gz BVRDDAMNKWHLMD-ZDUSSCGKSA-N 0 3 275.743 2.448 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@@H]2COc3c2cccc3Cl)CC1 ZINC000600731751 346680244 /nfs/dbraw/zinc/68/02/44/346680244.db2.gz UGOZMGBUSSKEOX-GXFFZTMASA-N 0 3 292.766 2.418 20 30 CEEDHN C[C@@H]1Oc2ccccc2[C@@H]1NC[C@H](O)CC1(C#N)CC1 ZINC000600741025 346682979 /nfs/dbraw/zinc/68/29/79/346682979.db2.gz METHLSQINUMEAZ-YWPYICTPSA-N 0 3 272.348 2.153 20 30 CEEDHN CN(C)CCn1cc(-c2ccc(F)cc2C#N)cn1 ZINC000600790348 346690933 /nfs/dbraw/zinc/69/09/33/346690933.db2.gz YVHALWMSTRDTFE-UHFFFAOYSA-N 0 3 258.300 2.122 20 30 CEEDHN Cc1cc(C#N)cc(N(C)[C@H]2CCN(C)[C@@H](C)C2)n1 ZINC000601118236 346757686 /nfs/dbraw/zinc/75/76/86/346757686.db2.gz ASLSDJRMDAHCIP-JSGCOSHPSA-N 0 3 258.369 2.181 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601123362 346759866 /nfs/dbraw/zinc/75/98/66/346759866.db2.gz AOQHXYAGUDTLCT-ZIAGYGMSSA-N 0 3 289.423 2.449 20 30 CEEDHN C[C@@H](CCC#N)CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000602623390 347108618 /nfs/dbraw/zinc/10/86/18/347108618.db2.gz PEHHYUXZEGIYQF-ZDUSSCGKSA-N 0 3 287.411 2.349 20 30 CEEDHN CO[C@]1(C)CCCN(Cc2cccc(C#N)n2)CC1 ZINC000602639125 347117917 /nfs/dbraw/zinc/11/79/17/347117917.db2.gz UCQPVDQADZVIBC-OAHLLOKOSA-N 0 3 259.353 2.344 20 30 CEEDHN CC(C)C[C@@]1(CO)CCCN1Cc1cccc(C#N)n1 ZINC000602640762 347119031 /nfs/dbraw/zinc/11/90/31/347119031.db2.gz CRAXIKBNGIBPCX-MRXNPFEDSA-N 0 3 273.380 2.326 20 30 CEEDHN CC[C@@H](COCC(F)(F)F)NCc1cccc(C#N)n1 ZINC000602674291 347136077 /nfs/dbraw/zinc/13/60/77/347136077.db2.gz ODZFEXFQHDAHTM-JTQLQIEISA-N 0 3 287.285 2.400 20 30 CEEDHN C[C@H](CCC#N)CNCc1ccccc1S(C)(=O)=O ZINC000602690029 347148780 /nfs/dbraw/zinc/14/87/80/347148780.db2.gz JHRSSYKQVPDLHR-GFCCVEGCSA-N 0 3 280.393 2.120 20 30 CEEDHN C[C@@H](CCC#N)CNCc1ccccc1S(C)(=O)=O ZINC000602690030 347148887 /nfs/dbraw/zinc/14/88/87/347148887.db2.gz JHRSSYKQVPDLHR-LBPRGKRZSA-N 0 3 280.393 2.120 20 30 CEEDHN COC(=O)c1[nH]c(CNCC(C)(C)CC#N)cc1C ZINC000602690338 347148895 /nfs/dbraw/zinc/14/88/95/347148895.db2.gz JIWUBUMOPIWBRO-UHFFFAOYSA-N 0 3 263.341 2.139 20 30 CEEDHN Cn1cc(C[C@H]2CCC[C@H]2NCc2cccc(C#N)n2)cn1 ZINC000602715381 347166490 /nfs/dbraw/zinc/16/64/90/347166490.db2.gz GRUZNFLHBSAFSH-RHSMWYFYSA-N 0 3 295.390 2.188 20 30 CEEDHN CC1(C)[C@@H](CNCc2cccc(C#N)n2)C1(F)F ZINC000602715208 347166732 /nfs/dbraw/zinc/16/67/32/347166732.db2.gz XVIXXMXCMSSLPZ-LLVKDONJSA-N 0 3 251.280 2.334 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCCC23CCOCC3)n1 ZINC000602654070 347124740 /nfs/dbraw/zinc/12/47/40/347124740.db2.gz TZQZCBFQPHDXSK-HNNXBMFYSA-N 0 3 271.364 2.392 20 30 CEEDHN CC(C)(CCC#N)CNCc1cc2c(cn1)OCCO2 ZINC000602662624 347129148 /nfs/dbraw/zinc/12/91/48/347129148.db2.gz PTZNEUVRJVIKDW-UHFFFAOYSA-N 0 3 275.352 2.272 20 30 CEEDHN CC(C)(C)[C@@H]1CCN(CC2(CC#N)CC2)C[C@@H]1O ZINC000602802235 347204815 /nfs/dbraw/zinc/20/48/15/347204815.db2.gz PGHFGALMZVVOEP-OLZOCXBDSA-N 0 3 250.386 2.409 20 30 CEEDHN CCC[C@@H]1CN(CC2(CC#N)CC2)CCN1CCOC ZINC000602801938 347204851 /nfs/dbraw/zinc/20/48/51/347204851.db2.gz VVRHXWJHYWBJHG-OAHLLOKOSA-N 0 3 279.428 2.113 20 30 CEEDHN C[C@@H](CCC#N)CN[C@H]1Cc2ccccc2NC1=O ZINC000602726968 347173001 /nfs/dbraw/zinc/17/30/01/347173001.db2.gz UGZCFJFLODZWHW-FZMZJTMJSA-N 0 3 257.337 2.079 20 30 CEEDHN COC(=O)[C@@]1(C)CN(Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000602930803 347250710 /nfs/dbraw/zinc/25/07/10/347250710.db2.gz HYTOWQDKWHOZAH-ZBEGNZNMSA-N 0 3 290.338 2.328 20 30 CEEDHN CNC(=O)C[C@@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000602823946 347214708 /nfs/dbraw/zinc/21/47/08/347214708.db2.gz FUIGHNUESGUFEL-CQSZACIVSA-N 0 3 271.364 2.147 20 30 CEEDHN COc1ccc(CCN2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000602857757 347226846 /nfs/dbraw/zinc/22/68/46/347226846.db2.gz USZQLOHPGXHTPB-HUUCEWRRSA-N 0 3 287.407 2.156 20 30 CEEDHN CN1CCN(Cc2ccnc(C#N)c2)C[C@@H]1C(C)(C)C ZINC000602875283 347234960 /nfs/dbraw/zinc/23/49/60/347234960.db2.gz ZCLNOCPHTCKMBI-OAHLLOKOSA-N 0 3 272.396 2.115 20 30 CEEDHN Cc1ccc(CN2CCC[C@@H](C)[C@H]2CO)cc1C#N ZINC000602990091 347268548 /nfs/dbraw/zinc/26/85/48/347268548.db2.gz JEKZIQCCNGQXTD-CZUORRHYSA-N 0 3 258.365 2.460 20 30 CEEDHN CC(C)(C)[C@H](N)c1cn(Cc2cc(C#N)ccc2F)nn1 ZINC000603190257 347304062 /nfs/dbraw/zinc/30/40/62/347304062.db2.gz FFVYVIPLAXGBCH-CQSZACIVSA-N 0 3 287.342 2.383 20 30 CEEDHN N#C[C@@H](c1ccccc1)n1cc(CNC2CCCC2)nn1 ZINC000603220727 347312648 /nfs/dbraw/zinc/31/26/48/347312648.db2.gz HBWCOUTUESNTLC-INIZCTEOSA-N 0 3 281.363 2.423 20 30 CEEDHN CC(C)[C@H](N)c1cn([C@H](C#N)c2ccccc2)nn1 ZINC000603222945 347314152 /nfs/dbraw/zinc/31/41/52/347314152.db2.gz WWIBZOQVAHLJMF-KGLIPLIRSA-N 0 3 255.325 2.047 20 30 CEEDHN N#CC1(Cn2cc(CCN3CCCCC3)nn2)CCC1 ZINC000603257185 347322463 /nfs/dbraw/zinc/32/24/63/347322463.db2.gz SNCSKKYJGQHTQJ-UHFFFAOYSA-N 0 3 273.384 2.000 20 30 CEEDHN Cc1nc(NC[C@H]2CSCCN2)c(Cl)cc1C#N ZINC000603419673 347365702 /nfs/dbraw/zinc/36/57/02/347365702.db2.gz PHXPXMBLGCUJCI-JTQLQIEISA-N 0 3 282.800 2.032 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cccc(OCCCC#N)c1 ZINC000603431249 347368678 /nfs/dbraw/zinc/36/86/78/347368678.db2.gz FNLPWYRFVRRZHM-INIZCTEOSA-N 0 3 286.375 2.233 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNc1ccc(C)nn1)C(C)C ZINC000605433320 347449224 /nfs/dbraw/zinc/44/92/24/347449224.db2.gz CZLSCHLSGOAMGR-HNNXBMFYSA-N 0 3 274.412 2.317 20 30 CEEDHN C[C@H](O)CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000336826434 365886587 /nfs/dbraw/zinc/88/65/87/365886587.db2.gz ONQPGQBYHMJBJL-ZDUSSCGKSA-N 0 3 274.364 2.172 20 30 CEEDHN CCO[C@@H]1C[C@H](N(C)C(=O)C(C)C#N)C12CCCC2 ZINC000610164070 347662445 /nfs/dbraw/zinc/66/24/45/347662445.db2.gz ZZEUDCMDHYMLJN-RWMBFGLXSA-N 0 3 264.369 2.342 20 30 CEEDHN C[C@](CO)(NCCOc1cccc(C#N)c1)c1ccccc1 ZINC000609483865 347640170 /nfs/dbraw/zinc/64/01/70/347640170.db2.gz MNXSTSNJLOWTSJ-GOSISDBHSA-N 0 3 296.370 2.434 20 30 CEEDHN COC1(C)CCN(CCOc2cccc(C#N)c2)CC1 ZINC000336836094 365906481 /nfs/dbraw/zinc/90/64/81/365906481.db2.gz VRZUUPFILSZHNB-UHFFFAOYSA-N 0 3 274.364 2.438 20 30 CEEDHN C[C@H](NCC(C)(C)CO)c1ccc(C#N)c(F)c1 ZINC000611465926 347782165 /nfs/dbraw/zinc/78/21/65/347782165.db2.gz NUGWLBXBIGOFMJ-JTQLQIEISA-N 0 3 250.317 2.366 20 30 CEEDHN CC(C#N)C(=O)N1Cc2ccccc2C(F)(F)C1 ZINC000610925735 347722509 /nfs/dbraw/zinc/72/25/09/347722509.db2.gz NBTKZVJMEYSPIP-VIFPVBQESA-N 0 3 250.248 2.280 20 30 CEEDHN C[C@H](CNCc1ccc(C#N)cc1F)Cn1cccn1 ZINC000610946675 347723881 /nfs/dbraw/zinc/72/38/81/347723881.db2.gz QGMJDOMKTVAYMG-GFCCVEGCSA-N 0 3 272.327 2.320 20 30 CEEDHN CCC(CC)(CC(=O)OC)NCc1ccnc(C#N)c1 ZINC000610995128 347730128 /nfs/dbraw/zinc/73/01/28/347730128.db2.gz NBRCPANPGYDLIP-UHFFFAOYSA-N 0 3 275.352 2.165 20 30 CEEDHN CCN(Cc1ccc(C#N)cc1OC)C[C@@H]1CCOC1 ZINC000611235500 347755001 /nfs/dbraw/zinc/75/50/01/347755001.db2.gz HZCPDIBPEHJYLB-AWEZNQCLSA-N 0 3 274.364 2.425 20 30 CEEDHN N#CCCN1CCN(C[C@H]2CCc3ccccc3C2)CC1 ZINC000611668375 347803524 /nfs/dbraw/zinc/80/35/24/347803524.db2.gz GMZBREVVPRWGKO-INIZCTEOSA-N 0 3 283.419 2.323 20 30 CEEDHN CC[C@H](CC#N)NCc1ccc(OCCN(C)C)cc1 ZINC000613044451 347966936 /nfs/dbraw/zinc/96/69/36/347966936.db2.gz KJOZMKZNTPGFLM-OAHLLOKOSA-N 0 3 275.396 2.409 20 30 CEEDHN N#Cc1cc(CN2CC[C@H](Cc3ccncc3)C2)ccn1 ZINC000613180115 347989374 /nfs/dbraw/zinc/98/93/74/347989374.db2.gz IOGHNWBELNWJIH-MRXNPFEDSA-N 0 3 278.359 2.413 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000614600982 348220908 /nfs/dbraw/zinc/22/09/08/348220908.db2.gz ZOJLDOUYOQPYCI-HOTGVXAUSA-N 0 3 283.375 2.049 20 30 CEEDHN COCCCN(CCO)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614997760 348264742 /nfs/dbraw/zinc/26/47/42/348264742.db2.gz VIRDYAACFHURCS-UHFFFAOYSA-N 0 3 290.407 2.319 20 30 CEEDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccc(C#N)o1 ZINC000273398041 192138479 /nfs/dbraw/zinc/13/84/79/192138479.db2.gz FWYDGYHBPXJGLY-ZFWWWQNUSA-N 0 3 276.336 2.363 20 30 CEEDHN Cc1c(Cl)cnc(NC[C@H](C)N(C)C)c1C#N ZINC000273404016 192139992 /nfs/dbraw/zinc/13/99/92/192139992.db2.gz WQSMVGJPPJTHQA-QMMMGPOBSA-N 0 3 252.749 2.277 20 30 CEEDHN C=CCC1(NC(=O)CN2[C@H](C)CC[C@@H]2C)CCOCC1 ZINC000618248052 348906088 /nfs/dbraw/zinc/90/60/88/348906088.db2.gz SJFSYHMJIUUOGD-OKILXGFUSA-N 0 3 280.412 2.101 20 30 CEEDHN N#Cc1cncc(N2CCCN(Cc3ccccc3)CC2)n1 ZINC000401342464 233182361 /nfs/dbraw/zinc/18/23/61/233182361.db2.gz VXQOGJWBKBUPLP-UHFFFAOYSA-N 0 3 293.374 2.061 20 30 CEEDHN N#Cc1cncc(NC[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000401390372 233182445 /nfs/dbraw/zinc/18/24/45/233182445.db2.gz OOAOYBXAFNBIQR-OAHLLOKOSA-N 0 3 293.374 2.282 20 30 CEEDHN CC(C#N)C(=O)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000619677054 349215741 /nfs/dbraw/zinc/21/57/41/349215741.db2.gz IAHJGHKIIXLHCQ-JSGCOSHPSA-N 0 3 297.358 2.097 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000619544289 349196223 /nfs/dbraw/zinc/19/62/23/349196223.db2.gz DKMCVKARBKFMFH-KBPBESRZSA-N 0 3 296.374 2.435 20 30 CEEDHN 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C=CCC[C@H](NC[C@H](O)[C@@H]1CCCO1)c1ccco1 ZINC000624089971 350189997 /nfs/dbraw/zinc/18/99/97/350189997.db2.gz DCCWVQJUDXDFFL-YDHLFZDLSA-N 0 3 265.353 2.416 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)COCCCCC)CC1 ZINC000106035610 186099632 /nfs/dbraw/zinc/09/96/32/186099632.db2.gz JWFVZPFNNRVWMP-UHFFFAOYSA-N 0 3 282.428 2.350 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000625322612 350465118 /nfs/dbraw/zinc/46/51/18/350465118.db2.gz IZKHXMQEDNNQBZ-FGTMMUONSA-N 0 3 296.414 2.339 20 30 CEEDHN C=CCCN(C)CC(=O)N(CCC)CC(F)(F)F ZINC000625364675 350480706 /nfs/dbraw/zinc/48/07/06/350480706.db2.gz KWOZFYAOTMHZEU-UHFFFAOYSA-N 0 3 266.307 2.295 20 30 CEEDHN Cc1noc(C)c1CCNCc1ccc(C#N)cc1 ZINC000107320661 186170104 /nfs/dbraw/zinc/17/01/04/186170104.db2.gz KFCWWGMWLCIQRK-UHFFFAOYSA-N 0 3 255.321 2.495 20 30 CEEDHN COC1CC(N(C)CCOc2ccc(C#N)cc2)C1 ZINC000352212503 219364431 /nfs/dbraw/zinc/36/44/31/219364431.db2.gz QKMFSMJQUCWAQU-UHFFFAOYSA-N 0 3 260.337 2.046 20 30 CEEDHN 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C=CCN1CC[C@@H](N(C)C2CCC(C)CC2)C1=O ZINC000337133521 366034271 /nfs/dbraw/zinc/03/42/71/366034271.db2.gz MEFOTLMYJDYHKC-JXQTWKCFSA-N 0 3 250.386 2.284 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)cc2)CCN1C ZINC000122924109 187059908 /nfs/dbraw/zinc/05/99/08/187059908.db2.gz KIHUUBWBEUUXMO-DOMZBBRYSA-N 0 3 271.364 2.113 20 30 CEEDHN CC1CCN(CCNCc2cnc3ccc(C#N)cn23)CC1 ZINC000123298736 187083586 /nfs/dbraw/zinc/08/35/86/187083586.db2.gz IPVXZVBYMWEWRP-UHFFFAOYSA-N 0 3 297.406 2.027 20 30 CEEDHN C=CCN1CCC(NC(=O)C(C)(C)[C@H]2CCCCO2)CC1 ZINC000630943729 351896201 /nfs/dbraw/zinc/89/62/01/351896201.db2.gz QIONDYLYACRJGG-OAHLLOKOSA-N 0 3 294.439 2.348 20 30 CEEDHN CC(C)N1CCC(N(C)C(=O)c2ccc(C#N)o2)CC1 ZINC000336487040 213360085 /nfs/dbraw/zinc/36/00/85/213360085.db2.gz BYFHEOSRWAVRPC-UHFFFAOYSA-N 0 3 275.352 2.096 20 30 CEEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000631223775 352025278 /nfs/dbraw/zinc/02/52/78/352025278.db2.gz GMNQGGISTRYAPP-ZDUSSCGKSA-N 0 3 250.386 2.333 20 30 CEEDHN CC(C)=CCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292131870 198175509 /nfs/dbraw/zinc/17/55/09/198175509.db2.gz ITURSHKTOOVEDV-CQSZACIVSA-N 0 3 257.337 2.373 20 30 CEEDHN N#Cc1ccc(O[C@@H]2CCN(CCc3ccccn3)C2)nc1 ZINC000292215855 198205544 /nfs/dbraw/zinc/20/55/44/198205544.db2.gz OSPLVCNIWCTJPD-MRXNPFEDSA-N 0 3 294.358 2.044 20 30 CEEDHN C=CCOc1cccc(NC(=O)[C@H](N)CCSC)c1 ZINC000155357152 188200982 /nfs/dbraw/zinc/20/09/82/188200982.db2.gz DOWDFMWSMHLFBA-CYBMUJFWSA-N 0 3 280.393 2.270 20 30 CEEDHN CCCCN(CCOC)C[C@H](O)c1ccc(C#N)cc1 ZINC000156325756 188255751 /nfs/dbraw/zinc/25/57/51/188255751.db2.gz XCFMRNHIYWFVGL-INIZCTEOSA-N 0 3 276.380 2.340 20 30 CEEDHN CCN(CCO)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000158650890 188387080 /nfs/dbraw/zinc/38/70/80/188387080.db2.gz ATPVCWOICJMJEY-UHFFFAOYSA-N 0 3 298.390 2.278 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2=C(C)OCCC2)CC1 ZINC000131937758 366102086 /nfs/dbraw/zinc/10/20/86/366102086.db2.gz NRWFZRRFZRFSOL-UHFFFAOYSA-N 0 3 278.396 2.228 20 30 CEEDHN C=CCN[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000337474726 366154914 /nfs/dbraw/zinc/15/49/14/366154914.db2.gz XTLDEDDRDFABGY-OAHLLOKOSA-N 0 3 254.333 2.365 20 30 CEEDHN CCCn1nccc1C1CCN(C(=O)C(C)C#N)CC1 ZINC000337544959 366160558 /nfs/dbraw/zinc/16/05/58/366160558.db2.gz CFMUOIGFAZOPNU-GFCCVEGCSA-N 0 3 274.368 2.159 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)c1cccc(C#N)c1C ZINC000338109821 366195554 /nfs/dbraw/zinc/19/55/54/366195554.db2.gz REGGAGDUJOTLOR-CQSZACIVSA-N 0 3 271.364 2.081 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)c2cccc(C#N)c2C)C1 ZINC000338151246 366212985 /nfs/dbraw/zinc/21/29/85/366212985.db2.gz JMARHVDKACLUHR-CQSZACIVSA-N 0 3 271.364 2.081 20 30 CEEDHN CCC[C@@H](C(=O)NCC#Cc1cccc(F)c1)N(C)C ZINC000338154003 366214075 /nfs/dbraw/zinc/21/40/75/366214075.db2.gz GXWMUAHXLSBEGF-HNNXBMFYSA-N 0 3 276.355 2.024 20 30 CEEDHN N#CC1(CCN2CCC[C@@]3(CNC(=O)C3)C2)CCCCC1 ZINC000334566409 283045553 /nfs/dbraw/zinc/04/55/53/283045553.db2.gz VZHAZQSUKUEPCN-QGZVFWFLSA-N 0 3 289.423 2.453 20 30 CEEDHN 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C=C[C@@](C)(CC)C(=O)N(C)CC1CCN(C)CC1 ZINC000135020259 366386803 /nfs/dbraw/zinc/38/68/03/366386803.db2.gz PPQQBCVCNXAILW-HNNXBMFYSA-N 0 3 252.402 2.389 20 30 CEEDHN COc1ccc(CN(C)CC(C)(C)CO)cc1C#N ZINC000294853417 199214010 /nfs/dbraw/zinc/21/40/10/199214010.db2.gz SJDRETGCGANFRT-UHFFFAOYSA-N 0 3 262.353 2.017 20 30 CEEDHN CNC(=O)[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000246484314 283392799 /nfs/dbraw/zinc/39/27/99/283392799.db2.gz YRIBYMFYOVGTHA-SWLSCSKDSA-N 0 3 271.364 2.077 20 30 CEEDHN C=CCCOCC(=O)Nc1ccc(CN(C)C)cc1 ZINC000145319745 366572878 /nfs/dbraw/zinc/57/28/78/366572878.db2.gz WHLPLURLQQDPHQ-UHFFFAOYSA-N 0 3 262.353 2.279 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000579241952 366616528 /nfs/dbraw/zinc/61/65/28/366616528.db2.gz GAFJOCADOSSWEW-CJNGLKHVSA-N 0 3 288.391 2.052 20 30 CEEDHN C#CCOc1ccc(C(=O)N(CCN(C)C)C(C)C)cc1 ZINC000151780874 366665111 /nfs/dbraw/zinc/66/51/11/366665111.db2.gz ALGJGLCJLZIBRE-UHFFFAOYSA-N 0 3 288.391 2.111 20 30 CEEDHN N#Cc1ccc(CNCCCOC[C@H]2CCCO2)c(F)c1 ZINC000298087711 200330172 /nfs/dbraw/zinc/33/01/72/200330172.db2.gz MLJZGHUDNXGLHV-OAHLLOKOSA-N 0 3 292.354 2.373 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(CNC)c1 ZINC000574071481 334989891 /nfs/dbraw/zinc/98/98/91/334989891.db2.gz VSSRSCXMPSYSBI-ZFWWWQNUSA-N 0 3 289.379 2.119 20 30 CEEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCCCNC2=O)cc1 ZINC000177873874 189075980 /nfs/dbraw/zinc/07/59/80/189075980.db2.gz GQFWCZKLQRDVEA-CJNGLKHVSA-N 0 3 286.375 2.018 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cnc(Cl)c(C)c2)CC1 ZINC000178068923 189088881 /nfs/dbraw/zinc/08/88/81/189088881.db2.gz WXWOJLWRLODJCK-UHFFFAOYSA-N 0 3 291.782 2.327 20 30 CEEDHN C=CCOc1ccc(CNC2(CO)CCC2)cc1OC ZINC000178638211 189133095 /nfs/dbraw/zinc/13/30/95/189133095.db2.gz YECYWDQVOCUZGO-UHFFFAOYSA-N 0 3 277.364 2.265 20 30 CEEDHN COC(=O)C[C@H]1CCCN1Cc1ccc(C#N)cc1 ZINC000179134133 189171808 /nfs/dbraw/zinc/17/18/08/189171808.db2.gz PSJAVXKPCSBILH-CQSZACIVSA-N 0 3 258.321 2.086 20 30 CEEDHN C=C(CC)CN1CCC(C2N=NC(=O)N2CC)CC1 ZINC000676367884 540917190 /nfs/dbraw/zinc/91/71/90/540917190.db2.gz VXIXDXARNHBMMA-UHFFFAOYSA-N 0 3 264.373 2.149 20 30 CEEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)Cc1ccccc1 ZINC000181290443 189293152 /nfs/dbraw/zinc/29/31/52/189293152.db2.gz HGUKRVNXHVMIPV-ZDUSSCGKSA-N 0 3 296.374 2.137 20 30 CEEDHN N#Cc1ccccc1N1CCN(C[C@H]2CCCC[C@@H]2O)CC1 ZINC000579791342 366700997 /nfs/dbraw/zinc/70/09/97/366700997.db2.gz HXVVSTCDAHWSPK-AEFFLSMTSA-N 0 3 299.418 2.231 20 30 CEEDHN C=CCCCCCNC(=O)Nc1ccnn1CCN(C)C ZINC000579855142 366716681 /nfs/dbraw/zinc/71/66/81/366716681.db2.gz VOKJHAZFCHXDIC-UHFFFAOYSA-N 0 3 293.415 2.313 20 30 CEEDHN C[C@H]1CC[C@H](N(CCO)Cc2cnc3ccc(C#N)cn23)C1 ZINC000356372699 370683344 /nfs/dbraw/zinc/68/33/44/370683344.db2.gz UOXNQNFCVVSOKO-ZFWWWQNUSA-N 0 3 298.390 2.189 20 30 CEEDHN CCN1CCN([C@H](C)CNc2ccc(C#N)cc2F)CC1 ZINC000301542493 201057862 /nfs/dbraw/zinc/05/78/62/201057862.db2.gz SJCOLCFVPOSYHM-CYBMUJFWSA-N 0 3 290.386 2.135 20 30 CEEDHN COCC#CCN1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000678045227 541071516 /nfs/dbraw/zinc/07/15/16/541071516.db2.gz CXKGRZSKCAWAEP-DLBZAZTESA-N 0 3 286.419 2.231 20 30 CEEDHN COc1ccc(CN(C)[C@@H]2CCN(C3CC3)C2)cc1C#N ZINC000340196990 366800520 /nfs/dbraw/zinc/80/05/20/366800520.db2.gz HIFGJBCUOQRYDN-MRXNPFEDSA-N 0 3 285.391 2.235 20 30 CEEDHN CC(C)CNC(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000155716977 366821799 /nfs/dbraw/zinc/82/17/99/366821799.db2.gz YUPGZCSWSUYGBD-SNVBAGLBSA-N 0 3 285.269 2.480 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000678732328 541167844 /nfs/dbraw/zinc/16/78/44/541167844.db2.gz LKNJSRWHWKMHSA-ZWNOBZJWSA-N 0 3 253.317 2.422 20 30 CEEDHN CCN1CCCC[C@H]1CNc1nc2ccccn2c1C#N ZINC000302082122 201335958 /nfs/dbraw/zinc/33/59/58/201335958.db2.gz JLBBFPFPQASHBI-ZDUSSCGKSA-N 0 3 283.379 2.492 20 30 CEEDHN CCN(CC)CCSc1nnc(C)c(C)c1C#N ZINC000088734150 363917607 /nfs/dbraw/zinc/91/76/07/363917607.db2.gz UQBJXUVYPIAWHB-UHFFFAOYSA-N 0 3 264.398 2.399 20 30 CEEDHN C#CCN1CCC(C(=O)NC2(C)Cc3ccccc3C2)CC1 ZINC000092594136 364085325 /nfs/dbraw/zinc/08/53/25/364085325.db2.gz XAHCGYOGOGCJAI-UHFFFAOYSA-N 0 3 296.414 2.005 20 30 CEEDHN C=CC1CCN(C(=O)[C@H]2NCCCC2(C)C)CC1 ZINC000335007197 364342091 /nfs/dbraw/zinc/34/20/91/364342091.db2.gz GQEYFKLGNNSFDK-CYBMUJFWSA-N 0 3 250.386 2.189 20 30 CEEDHN CC#CCCN(C)CCN(C)C(=O)OC(C)(C)C ZINC000157585400 366845924 /nfs/dbraw/zinc/84/59/24/366845924.db2.gz VSROBMVFQKXZNK-UHFFFAOYSA-N 0 3 254.374 2.199 20 30 CEEDHN CC#CCN1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000157763102 366848912 /nfs/dbraw/zinc/84/89/12/366848912.db2.gz OBNVXOWDULCSOC-UHFFFAOYSA-N 0 3 271.364 2.064 20 30 CEEDHN CC(C)(C#N)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000098093442 364530765 /nfs/dbraw/zinc/53/07/65/364530765.db2.gz WOOKDKWXUIOFNJ-OAHLLOKOSA-N 0 3 285.391 2.317 20 30 CEEDHN Cc1cc(CN2CCC[C@@H](CO)[C@H]2C)ccc1C#N ZINC000335182175 364587648 /nfs/dbraw/zinc/58/76/48/364587648.db2.gz ZQHCKRWSXZLKAS-CJNGLKHVSA-N 0 3 258.365 2.460 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)N2CCC(CCC#N)CC2)CCN1C ZINC000335365451 364694377 /nfs/dbraw/zinc/69/43/77/364694377.db2.gz SPNPSKSFFNXTRL-HIFRSBDPSA-N 0 3 292.427 2.194 20 30 CEEDHN C=C(CC)CNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000335576056 364807507 /nfs/dbraw/zinc/80/75/07/364807507.db2.gz CPFDWDSVUSVPJW-KGLIPLIRSA-N 0 3 265.401 2.078 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000335600309 212312325 /nfs/dbraw/zinc/31/23/25/212312325.db2.gz IXKOLXSXXYIXAI-CYBMUJFWSA-N 0 3 291.782 2.378 20 30 CEEDHN COCC#CCN[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000680427880 541411714 /nfs/dbraw/zinc/41/17/14/541411714.db2.gz YKBOYLHXQQNCMB-IOASZLSFSA-N 0 3 259.349 2.179 20 30 CEEDHN CCN(CC#CCOC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000680636879 541439461 /nfs/dbraw/zinc/43/94/61/541439461.db2.gz VMQPUAHBQBHCFT-GOSISDBHSA-N 0 3 286.419 2.233 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000335824748 365034444 /nfs/dbraw/zinc/03/44/44/365034444.db2.gz XFIJJKABHVSDSK-XHDPSFHLSA-N 0 3 260.312 2.475 20 30 CEEDHN C=CCOc1ccccc1CNCCC[S@@](C)=O ZINC000116919060 365081029 /nfs/dbraw/zinc/08/10/29/365081029.db2.gz FZZAONSWUBZUCS-SFHVURJKSA-N 0 3 267.394 2.110 20 30 CEEDHN C=CCCC[C@@H](C)NCc1ccc(S(N)(=O)=O)s1 ZINC000638837433 370787509 /nfs/dbraw/zinc/78/75/09/370787509.db2.gz TUKZNTBMUZIEIJ-SNVBAGLBSA-N 0 3 288.438 2.230 20 30 CEEDHN C[C@@H](CO)[C@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC000119168280 365228984 /nfs/dbraw/zinc/22/89/84/365228984.db2.gz WCPWIAWPHLTSSH-VRLRAXNCSA-N 0 3 258.365 2.217 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@H](COc2ccccc2)C1 ZINC000357079880 370804954 /nfs/dbraw/zinc/80/49/54/370804954.db2.gz QMVPBJWIXYXWSE-STQMWFEESA-N 0 3 258.321 2.074 20 30 CEEDHN C[C@@H](NC1CC(C#N)(c2ccccc2)C1)[C@H](C)CO ZINC000119168196 365228740 /nfs/dbraw/zinc/22/87/40/365228740.db2.gz WCPWIAWPHLTSSH-KCNJBTMXSA-N 0 3 258.365 2.217 20 30 CEEDHN C[C@@H](Cc1cnccn1)NCc1cccc(C#N)c1 ZINC000340437019 366884591 /nfs/dbraw/zinc/88/45/91/366884591.db2.gz QOHUOZHICONBEL-LBPRGKRZSA-N 0 3 252.321 2.069 20 30 CEEDHN CC(C)N1CCC[C@@H](NC(=O)c2cccc(F)c2C#N)C1 ZINC000336102104 365410575 /nfs/dbraw/zinc/41/05/75/365410575.db2.gz XXNRCTCAJUXHRI-GFCCVEGCSA-N 0 3 289.354 2.300 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CCC1CCOCC1 ZINC000120778428 365474667 /nfs/dbraw/zinc/47/46/67/365474667.db2.gz REXYKIKXIIQZGE-OAHLLOKOSA-N 0 3 294.439 2.324 20 30 CEEDHN C=CCCOCCNCc1ccc(NC(C)=O)cc1 ZINC000120825855 365481567 /nfs/dbraw/zinc/48/15/67/365481567.db2.gz VIFNWSUTAKUICI-UHFFFAOYSA-N 0 3 262.353 2.327 20 30 CEEDHN COCc1cncc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000680934721 541475600 /nfs/dbraw/zinc/47/56/00/541475600.db2.gz SIWZXJVXKGUMFE-AWEZNQCLSA-N 0 3 296.330 2.125 20 30 CEEDHN C[C@@]1(F)CNCCN(c2c(C#N)cnc3ccccc32)C1 ZINC000582775989 366956259 /nfs/dbraw/zinc/95/62/59/366956259.db2.gz GMLVHKGYRAMTJT-MRXNPFEDSA-N 0 3 284.338 2.244 20 30 CEEDHN COC(CN1CCC(Oc2cccc(C#N)c2)CC1)OC ZINC000160922004 367044225 /nfs/dbraw/zinc/04/42/25/367044225.db2.gz WTWPDWXRMZPVME-UHFFFAOYSA-N 0 3 290.363 2.020 20 30 CEEDHN CCC(CC)(CNCc1ccc(C#N)cn1)C(=O)OC ZINC000583507939 367060552 /nfs/dbraw/zinc/06/05/52/367060552.db2.gz UQQKEDCEEDHNJG-UHFFFAOYSA-N 0 3 275.352 2.022 20 30 CEEDHN CN1CC[C@H](NC(=O)NCC2(C#N)CC2)[C@@H]1c1ccccc1 ZINC000583299603 367028381 /nfs/dbraw/zinc/02/83/81/367028381.db2.gz FYSBBCJQAOYANC-GJZGRUSLSA-N 0 3 298.390 2.035 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@@]1(OC)CCOC1 ZINC000638917990 370841354 /nfs/dbraw/zinc/84/13/54/370841354.db2.gz LGXALXAJOAOGGE-HNNXBMFYSA-N 0 3 265.353 2.116 20 30 CEEDHN CC(C#N)C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000357808525 370828819 /nfs/dbraw/zinc/82/88/19/370828819.db2.gz VTQUPUKUZPKRLZ-CYBMUJFWSA-N 0 3 272.348 2.354 20 30 CEEDHN CC(C#N)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000357826532 370831064 /nfs/dbraw/zinc/83/10/64/370831064.db2.gz LXGDBFMWDXRVSM-SSDOTTSWSA-N 0 3 287.150 2.076 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)CCCCCC#N ZINC000588360202 367192546 /nfs/dbraw/zinc/19/25/46/367192546.db2.gz DNWINDNNLBCWJF-AWEZNQCLSA-N 0 3 265.401 2.451 20 30 CEEDHN CN(C)[C@]1(CNC(=O)CCCCCC#N)CCSC1 ZINC000588631317 367194570 /nfs/dbraw/zinc/19/45/70/367194570.db2.gz WTAANEYEHAHKDB-AWEZNQCLSA-N 0 3 283.441 2.014 20 30 CEEDHN CCC[C@]1(CO)CCCN1Cc1ccc(C#N)cn1 ZINC000593981649 367204453 /nfs/dbraw/zinc/20/44/53/367204453.db2.gz PRJHLAUGDRLWBF-OAHLLOKOSA-N 0 3 259.353 2.080 20 30 CEEDHN C#CCN(C(=O)NCCN1CCC[C@@H](C)C1)C1CCCC1 ZINC000163322111 367232014 /nfs/dbraw/zinc/23/20/14/367232014.db2.gz XIOQWDBSOPPPIT-OAHLLOKOSA-N 0 3 291.439 2.306 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N(CCC)CCN1CCCC1 ZINC000342268777 367398155 /nfs/dbraw/zinc/39/81/55/367398155.db2.gz RTJVNAKBLHUOJX-OAHLLOKOSA-N 0 3 282.428 2.302 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000342344793 367400901 /nfs/dbraw/zinc/40/09/01/367400901.db2.gz JJJJQESGPZOICG-TZMCWYRMSA-N 0 3 265.401 2.077 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2CC=CC[C@@H]2C)CC1 ZINC000342468800 367411080 /nfs/dbraw/zinc/41/10/80/367411080.db2.gz DQBQIQPUBSKPCZ-ZFWWWQNUSA-N 0 3 262.397 2.355 20 30 CEEDHN N#Cc1ccccc1CSCCNCc1cncnc1 ZINC000171131544 367483706 /nfs/dbraw/zinc/48/37/06/367483706.db2.gz MUKNAFXQDKHJNF-UHFFFAOYSA-N 0 3 284.388 2.371 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc3ccn(C)c3c2)CC1 ZINC000172391453 367732716 /nfs/dbraw/zinc/73/27/16/367732716.db2.gz JEMQDKZQMLCZKB-UHFFFAOYSA-N 0 3 295.386 2.462 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000343362415 367773043 /nfs/dbraw/zinc/77/30/43/367773043.db2.gz JBWPJQRYHCHIKW-XBFCOCLRSA-N 0 3 258.321 2.040 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1C[C@@H]1c1ccc(OC(F)F)cc1 ZINC000358072554 370893314 /nfs/dbraw/zinc/89/33/14/370893314.db2.gz KEYWWSIRGPHXIZ-GGZOMVNGSA-N 0 3 280.274 2.420 20 30 CEEDHN Cc1ccnc(N(C)[C@H]2CCN(C)C[C@H]2C)c1C#N ZINC000343507300 367851825 /nfs/dbraw/zinc/85/18/25/367851825.db2.gz HYEOHAFHVYITNK-OCCSQVGLSA-N 0 3 258.369 2.038 20 30 CEEDHN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)C(C)C#N ZINC000343517659 367857737 /nfs/dbraw/zinc/85/77/37/367857737.db2.gz DWBPBRNOPRFILU-CWSCBRNRSA-N 0 3 264.300 2.178 20 30 CEEDHN N#CCc1ccc(CN2CCC[C@@H](CCC(N)=O)C2)cc1 ZINC000343518982 367860275 /nfs/dbraw/zinc/86/02/75/367860275.db2.gz CHYVNWMJTGFSHR-HNNXBMFYSA-N 0 3 285.391 2.230 20 30 CEEDHN CCN(CC(C)C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000343622040 367922919 /nfs/dbraw/zinc/92/29/19/367922919.db2.gz KSWLOAGCRHOIJC-DZGCQCFKSA-N 0 3 267.417 2.407 20 30 CEEDHN CCCN1CCC[C@@H]1CNC(=O)c1ccc(C#N)s1 ZINC000343577117 367894544 /nfs/dbraw/zinc/89/45/44/367894544.db2.gz USNQKLQNEUIXCS-LLVKDONJSA-N 0 3 277.393 2.224 20 30 CEEDHN CN(Cc1ccc(C#N)cc1F)[C@H]1CC[C@H](O)CC1 ZINC000275944220 193169298 /nfs/dbraw/zinc/16/92/98/193169298.db2.gz YVEJFJPWAPYBSK-HDJSIYSDSA-N 0 3 262.328 2.433 20 30 CEEDHN C[C@@H](CNCc1ccc(C#N)o1)N1CCC[C@H](C)C1 ZINC000174270114 368004966 /nfs/dbraw/zinc/00/49/66/368004966.db2.gz LFEJIFUPVCINIQ-STQMWFEESA-N 0 3 261.369 2.361 20 30 CEEDHN C=C1CC(C)(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)C1 ZINC000633032907 368031084 /nfs/dbraw/zinc/03/10/84/368031084.db2.gz NVFDMMCPIFDVBL-KGLIPLIRSA-N 0 3 262.397 2.428 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)C[C@@H]1CC=CCC1 ZINC000344032489 368103269 /nfs/dbraw/zinc/10/32/69/368103269.db2.gz DOMCWJPNKGSIKO-LSDHHAIUSA-N 0 3 277.412 2.283 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](C2CC2)C1 ZINC000344057591 368104429 /nfs/dbraw/zinc/10/44/29/368104429.db2.gz WEGCRHNJGNCDMU-UKRRQHHQSA-N 0 3 262.397 2.307 20 30 CEEDHN C=CCC(C)(C)C(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000344066364 368105910 /nfs/dbraw/zinc/10/59/10/368105910.db2.gz MDUKISYZQGSKSD-NWDGAFQWSA-N 0 3 270.442 2.093 20 30 CEEDHN COc1c(C)cc(CN(C)C(=O)C(C)C#N)cc1C ZINC000345753604 368404879 /nfs/dbraw/zinc/40/48/79/368404879.db2.gz BXGIKWGRPBNTFJ-GFCCVEGCSA-N 0 3 260.337 2.430 20 30 CEEDHN C[C@@H](NCCN1CCOCC1(C)C)c1ccc(C#N)cc1 ZINC000181679220 368481545 /nfs/dbraw/zinc/48/15/45/368481545.db2.gz YDHNIUDQOHXGFX-CQSZACIVSA-N 0 3 287.407 2.320 20 30 CEEDHN CN(C(=O)c1cc(C#N)ccc1Cl)C1CCN(C)CC1 ZINC000335483517 212157907 /nfs/dbraw/zinc/15/79/07/212157907.db2.gz UDSQGHFTHVFJRI-UHFFFAOYSA-N 0 3 291.782 2.378 20 30 CEEDHN CSC[C@H](CCO)N[C@H](C)c1ccc(C#N)cc1 ZINC000181797696 368494594 /nfs/dbraw/zinc/49/45/94/368494594.db2.gz SAASYUZCYRQJKK-RISCZKNCSA-N 0 3 264.394 2.323 20 30 CEEDHN CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1cccc(C#N)c1 ZINC000182353535 368555597 /nfs/dbraw/zinc/55/55/97/368555597.db2.gz QXVITSYUWRDVFH-CABCVRRESA-N 0 3 292.404 2.004 20 30 CEEDHN CCN1C[C@H](C)N(CCOc2cccc(C#N)c2)C[C@H]1C ZINC000346179563 368581242 /nfs/dbraw/zinc/58/12/42/368581242.db2.gz XPJZBKWTJOHCHB-CABCVRRESA-N 0 3 287.407 2.352 20 30 CEEDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346211547 368594757 /nfs/dbraw/zinc/59/47/57/368594757.db2.gz YDLMWJCUZUNJQB-WDBKCZKBSA-N 0 3 289.354 2.263 20 30 CEEDHN C[C@H]1C[C@H]1N1CCN(C(=O)C2(C#N)CCCC2)C[C@@H](C)C1 ZINC000346231201 368599870 /nfs/dbraw/zinc/59/98/70/368599870.db2.gz NOPWMZKWJLGNPH-SOUVJXGZSA-N 0 3 289.423 2.259 20 30 CEEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2cccc(C#N)c2)C[C@@H](C)C1 ZINC000346255408 368608119 /nfs/dbraw/zinc/60/81/19/368608119.db2.gz CZZANCRBFZVKNB-JJRVBVJISA-N 0 3 297.402 2.361 20 30 CEEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)CC(C)(C)C#N)C[C@@H](C)C1 ZINC000346260481 368610096 /nfs/dbraw/zinc/61/00/96/368610096.db2.gz LTYQBFFJGGRUTH-IHRRRGAJSA-N 0 3 277.412 2.115 20 30 CEEDHN C[C@@H](C#N)CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000183830411 368653552 /nfs/dbraw/zinc/65/35/52/368653552.db2.gz MKGIANYKLBJFSN-AWEZNQCLSA-N 0 3 282.391 2.272 20 30 CEEDHN C[C@H](CNCc1ccc(C#N)o1)N1CCC[C@H](C)C1 ZINC000246154136 370917129 /nfs/dbraw/zinc/91/71/29/370917129.db2.gz LFEJIFUPVCINIQ-QWHCGFSZSA-N 0 3 261.369 2.361 20 30 CEEDHN CN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CN2CCC1CC2 ZINC000347960368 368841060 /nfs/dbraw/zinc/84/10/60/368841060.db2.gz XFQXYPVNBMBVRE-QGZVFWFLSA-N 0 3 297.402 2.043 20 30 CEEDHN C=CCOCCCN1CCN([C@H](C)c2cccnc2)CC1 ZINC000348046096 368872436 /nfs/dbraw/zinc/87/24/36/368872436.db2.gz DJZGHECDFLROQN-MRXNPFEDSA-N 0 3 289.423 2.353 20 30 CEEDHN C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000185940853 368890781 /nfs/dbraw/zinc/89/07/81/368890781.db2.gz MZUCFOXNPHBWHU-LRDDRELGSA-N 0 3 296.374 2.308 20 30 CEEDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)c1cccc(C#N)c1 ZINC000348154264 368923345 /nfs/dbraw/zinc/92/33/45/368923345.db2.gz AEHFOXVASSVVGU-KCPJHIHWSA-N 0 3 271.364 2.124 20 30 CEEDHN C[C@@H](CO)N(Cc1cnc2ccc(C#N)cn12)CC1CCC1 ZINC000348352714 369013749 /nfs/dbraw/zinc/01/37/49/369013749.db2.gz KZUVKLKHIYPUAP-ZDUSSCGKSA-N 0 3 298.390 2.189 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(OC)c(COC)c1 ZINC000186711184 369025135 /nfs/dbraw/zinc/02/51/35/369025135.db2.gz KJIUSGMHIPBGIG-IUODEOHRSA-N 0 3 279.380 2.429 20 30 CEEDHN C=CC[C@@H](CO)N[C@H]1CCCc2nc(C)sc21 ZINC000186719830 369027539 /nfs/dbraw/zinc/02/75/39/369027539.db2.gz MJFSPVNESSHPAX-JQWIXIFHSA-N 0 3 252.383 2.356 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccoc2)cc1 ZINC000348293314 368988311 /nfs/dbraw/zinc/98/83/11/368988311.db2.gz ZKEAITVHPHHOEM-HNNXBMFYSA-N 0 3 279.299 2.150 20 30 CEEDHN C=C(CN[C@@H]1CCCS(=O)(=O)CC1)c1ccccc1 ZINC000634956212 368989950 /nfs/dbraw/zinc/98/99/50/368989950.db2.gz BUVGEVLRAOPAOD-OAHLLOKOSA-N 0 3 279.405 2.257 20 30 CEEDHN CCS[C@@H]1CCC[C@H]1NCC(=O)N(CC)C[C@@H](C)C#N ZINC000348463334 369053877 /nfs/dbraw/zinc/05/38/77/369053877.db2.gz ANFVBFHIURMCLF-BFHYXJOUSA-N 0 3 297.468 2.258 20 30 CEEDHN COc1cc(CN(C)[C@@H]2CCCOC2)ccc1C#N ZINC000348740878 369138140 /nfs/dbraw/zinc/13/81/40/369138140.db2.gz PTIXEFFBIXPKTL-CQSZACIVSA-N 0 3 260.337 2.178 20 30 CEEDHN COC(=O)c1cc(CNCc2ccc(CC#N)cc2)c[nH]1 ZINC000574320970 335010259 /nfs/dbraw/zinc/01/02/59/335010259.db2.gz BAQMLUPFOLNVBX-UHFFFAOYSA-N 0 3 283.331 2.157 20 30 CEEDHN CC(C)CN(CCN(C)C)Cc1cnc2ccc(C#N)cn12 ZINC000348893733 369193014 /nfs/dbraw/zinc/19/30/14/369193014.db2.gz LZNSTYZFEDKUTF-UHFFFAOYSA-N 0 3 299.422 2.226 20 30 CEEDHN C=CCN1CCC(NC(=O)C2CCC=CCC2)CC1 ZINC000635531130 369207317 /nfs/dbraw/zinc/20/73/17/369207317.db2.gz OKNQBTLDNRPEHR-UHFFFAOYSA-N 0 3 262.397 2.499 20 30 CEEDHN CCOC(CCNCc1ccc(OC)c(C#N)c1)OCC ZINC000276063239 193203441 /nfs/dbraw/zinc/20/34/41/193203441.db2.gz CFCCSQXVSPPBKE-UHFFFAOYSA-N 0 3 292.379 2.446 20 30 CEEDHN N#Cc1ccc2nc(NCCN3CCCOCC3)ccc2c1 ZINC000188499522 369366320 /nfs/dbraw/zinc/36/63/20/369366320.db2.gz NQWOFBMGZIZVFC-UHFFFAOYSA-N 0 3 296.374 2.241 20 30 CEEDHN C=CCCN(C)Cc1ccccc1OCC(=O)N(C)C ZINC000276144699 193225125 /nfs/dbraw/zinc/22/51/25/193225125.db2.gz OAULEYKLLUHTCM-UHFFFAOYSA-N 0 3 276.380 2.162 20 30 CEEDHN CCCCNC(=O)C1CCN([C@@H](C)CCC#N)CC1 ZINC000351472827 369636398 /nfs/dbraw/zinc/63/63/98/369636398.db2.gz QYWVFJUWGACAHY-ZDUSSCGKSA-N 0 3 265.401 2.307 20 30 CEEDHN C=CCN(CCOC)C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000191074538 369673426 /nfs/dbraw/zinc/67/34/26/369673426.db2.gz PLNQZRSIAOQEIV-MRXNPFEDSA-N 0 3 293.407 2.178 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc(F)c(C#N)c1 ZINC000276530115 193369063 /nfs/dbraw/zinc/36/90/63/193369063.db2.gz HJXJKSJCTYHZTN-WDEREUQCSA-N 0 3 278.327 2.375 20 30 CEEDHN C[C@@H](NCC(C)(C)OCCO)c1ccc(C#N)cc1F ZINC000352519394 369770227 /nfs/dbraw/zinc/77/02/27/369770227.db2.gz OHWHYMVFDWMSPF-LLVKDONJSA-N 0 3 280.343 2.135 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000637321170 369898317 /nfs/dbraw/zinc/89/83/17/369898317.db2.gz UAPXFDCBVMJBOO-AWEZNQCLSA-N 0 3 279.428 2.468 20 30 CEEDHN CC(C)[C@](C)(CO)NCc1cccc(C#N)c1F ZINC000352888113 369934066 /nfs/dbraw/zinc/93/40/66/369934066.db2.gz ZSAIBLZDTVQWOP-AWEZNQCLSA-N 0 3 250.317 2.194 20 30 CEEDHN CC(C)(C)OC(=O)N1C[C@H]2CN(CCCC#N)C[C@H]2C1 ZINC000193495365 369948438 /nfs/dbraw/zinc/94/84/38/369948438.db2.gz VWVBILYRKRPRBO-BETUJISGSA-N 0 3 279.384 2.089 20 30 CEEDHN COc1ccc(CN(C)CCCCCO)cc1C#N ZINC000227062852 370356815 /nfs/dbraw/zinc/35/68/15/370356815.db2.gz SMSYMQAPMNJGKT-UHFFFAOYSA-N 0 3 262.353 2.161 20 30 CEEDHN CCCCN(CCO)Cc1ccc(F)c(C#N)c1 ZINC000229748586 370431449 /nfs/dbraw/zinc/43/14/49/370431449.db2.gz FPWPISIIQUWGSW-UHFFFAOYSA-N 0 3 250.317 2.292 20 30 CEEDHN CCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000355118428 370510677 /nfs/dbraw/zinc/51/06/77/370510677.db2.gz BKFIALCPVLDIFP-HOCLYGCPSA-N 0 3 285.391 2.269 20 30 CEEDHN C=CCOc1ccc(CN2C[C@H](O)[C@H](CC)C2)cc1OC ZINC000355194561 370543205 /nfs/dbraw/zinc/54/32/05/370543205.db2.gz GUYKWVMZUDLCGF-CABCVRRESA-N 0 3 291.391 2.463 20 30 CEEDHN CO[C@H]1CCN(CCCOc2cccc(C#N)c2)C1 ZINC000234861741 370546110 /nfs/dbraw/zinc/54/61/10/370546110.db2.gz YFUHDSJIHZCNFM-HNNXBMFYSA-N 0 3 260.337 2.048 20 30 CEEDHN COc1cc(CNC[C@@]2(C)CCCO2)ccc1C#N ZINC000234919122 370549947 /nfs/dbraw/zinc/54/99/47/370549947.db2.gz XSPDZWWVMCVJKG-OAHLLOKOSA-N 0 3 260.337 2.226 20 30 CEEDHN CC[C@@H](C)N1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000233854274 370526512 /nfs/dbraw/zinc/52/65/12/370526512.db2.gz QRPGSGLRTDMWDY-CQSZACIVSA-N 0 3 287.407 2.483 20 30 CEEDHN N#Cc1ccc(N2CCC[C@@H](NCC3CC3)C2=O)cc1 ZINC000355790562 370615176 /nfs/dbraw/zinc/61/51/76/370615176.db2.gz ZPTGTLYPWCTVQD-OAHLLOKOSA-N 0 3 269.348 2.053 20 30 CEEDHN CN(C)CCOC1CCN(c2ccc(F)cc2C#N)CC1 ZINC000356213171 370627355 /nfs/dbraw/zinc/62/73/55/370627355.db2.gz HRFVBYTXFOQVHF-UHFFFAOYSA-N 0 3 291.370 2.244 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000246897537 371026971 /nfs/dbraw/zinc/02/69/71/371026971.db2.gz VLDUEYMMXHBRAY-ZACQAIPSSA-N 0 3 286.375 2.093 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCCC[C@@H]1C ZINC000358407925 371053718 /nfs/dbraw/zinc/05/37/18/371053718.db2.gz GQXJUMPYIHUNRZ-KBPBESRZSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCN1CCC(NC(=O)CC[C@@H](C)SC)CC1 ZINC000358411348 371055189 /nfs/dbraw/zinc/05/51/89/371055189.db2.gz WVRWKKLAOSDBRF-GFCCVEGCSA-N 0 3 270.442 2.285 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCO1)C(C)C ZINC000358553342 371114612 /nfs/dbraw/zinc/11/46/12/371114612.db2.gz BQXMMRKYRIJBBR-AWEZNQCLSA-N 0 3 281.400 2.032 20 30 CEEDHN C[C@@H](NCCCN1CCOCC1)c1ccc(C#N)cc1F ZINC000358559071 371117417 /nfs/dbraw/zinc/11/74/17/371117417.db2.gz OMABNMPOVDPHGE-CYBMUJFWSA-N 0 3 291.370 2.070 20 30 CEEDHN C[C@@H](NCCn1ccnc1)c1ccc(C#N)cc1F ZINC000358568348 371121229 /nfs/dbraw/zinc/12/12/29/371121229.db2.gz KUKFMKMXPGJMAU-LLVKDONJSA-N 0 3 258.300 2.245 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000248627798 371226020 /nfs/dbraw/zinc/22/60/20/371226020.db2.gz PGSUHHBLRUPGIB-BFHYXJOUSA-N 0 3 252.402 2.387 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000358816161 371233598 /nfs/dbraw/zinc/23/35/98/371233598.db2.gz RWSWKSCSYFYLIN-DLBZAZTESA-N 0 3 299.418 2.492 20 30 CEEDHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CCOc1ccccc1C#N ZINC000249122736 371297818 /nfs/dbraw/zinc/29/78/18/371297818.db2.gz ZNMMIMKWWXCROX-AGGWBTHJSA-N 0 3 274.364 2.171 20 30 CEEDHN C=CCCCCCN1CCN(C(C)(C)CO)CC1 ZINC000683783895 541854330 /nfs/dbraw/zinc/85/43/30/541854330.db2.gz VPJYLYDQKSYZJP-UHFFFAOYSA-N 0 3 254.418 2.121 20 30 CEEDHN C=CCN(CCOC)Cc1cccc2c1CCOC2 ZINC000639608647 371438814 /nfs/dbraw/zinc/43/88/14/371438814.db2.gz KXJJWRCLKMQYKN-UHFFFAOYSA-N 0 3 261.365 2.394 20 30 CEEDHN N#Cc1ccc([C@@H](NCCC2CCCC2)C(N)=O)cc1 ZINC000360059734 371501682 /nfs/dbraw/zinc/50/16/82/371501682.db2.gz IRUSOPHMMVDFPA-OAHLLOKOSA-N 0 3 271.364 2.255 20 30 CEEDHN C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](c2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000639716461 371516490 /nfs/dbraw/zinc/51/64/90/371516490.db2.gz PHOUXPQIEUOOQZ-VXGBXAGGSA-N 0 3 277.368 2.422 20 30 CEEDHN C=CCCC[C@@H](C)[N@H+]1CC[C@@H](c2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000639716461 371516495 /nfs/dbraw/zinc/51/64/95/371516495.db2.gz PHOUXPQIEUOOQZ-VXGBXAGGSA-N 0 3 277.368 2.422 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000639745047 371531997 /nfs/dbraw/zinc/53/19/97/371531997.db2.gz VSTUJUBYQQDHLJ-OWCLPIDISA-N 0 3 295.471 2.214 20 30 CEEDHN C=C(C)CCN[C@H](c1nccn1C)C(C)(C)CO ZINC000639774156 371559757 /nfs/dbraw/zinc/55/97/57/371559757.db2.gz YYNZBQPVHKTFGV-GFCCVEGCSA-N 0 3 251.374 2.036 20 30 CEEDHN C=CCCN1CCC(O)(Cc2nc(C)cs2)CC1 ZINC000639809220 371588827 /nfs/dbraw/zinc/58/88/27/371588827.db2.gz IDENFWXZDXYELE-UHFFFAOYSA-N 0 3 266.410 2.397 20 30 CEEDHN C[C@H](O)CN(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000361010325 371598417 /nfs/dbraw/zinc/59/84/17/371598417.db2.gz PAHLURAHGGUMAE-VIFPVBQESA-N 0 3 272.270 2.390 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000640063767 371780610 /nfs/dbraw/zinc/78/06/10/371780610.db2.gz KTCUVLPYILXLIN-JOYOIKCWSA-N 0 3 262.309 2.121 20 30 CEEDHN C=CCCCCCN1CCN(CCc2cnccn2)CC1 ZINC000640103103 371815594 /nfs/dbraw/zinc/81/55/94/371815594.db2.gz OAZXBJPIXOSLSA-UHFFFAOYSA-N 0 3 288.439 2.383 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@@H](C2CCC2)CC1 ZINC000640106055 371818622 /nfs/dbraw/zinc/81/86/22/371818622.db2.gz LCUYHYRSDFKTGN-CQSZACIVSA-N 0 3 250.386 2.191 20 30 CEEDHN CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC(C)(C)C ZINC000361521287 371895641 /nfs/dbraw/zinc/89/56/41/371895641.db2.gz AOAWZQIDEPATRW-OAHLLOKOSA-N 0 3 267.417 2.409 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(CC)C[C@H](C)OC ZINC000361557489 371920040 /nfs/dbraw/zinc/92/00/40/371920040.db2.gz ASVSQGNEJNLEQG-KBPBESRZSA-N 0 3 270.417 2.156 20 30 CEEDHN CO[C@@H](C)CN(C)CCOCc1ccc(C#N)cc1 ZINC000344127704 217063737 /nfs/dbraw/zinc/06/37/37/217063737.db2.gz ZBHMXYMSCXUXME-ZDUSSCGKSA-N 0 3 262.353 2.042 20 30 CEEDHN C=CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000265804073 372029533 /nfs/dbraw/zinc/02/95/33/372029533.db2.gz OQCYIUBETYHXFY-UHFFFAOYSA-N 0 3 261.325 2.293 20 30 CEEDHN CC[C@@H](CO)N1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000266187739 372039676 /nfs/dbraw/zinc/03/96/76/372039676.db2.gz FIWDWNQSZRKTKZ-ZDUSSCGKSA-N 0 3 293.798 2.105 20 30 CEEDHN C[C@H](NC[C@@H]1CN2CCCC[C@H]2CO1)c1ccc(C#N)cc1 ZINC000361794520 372074364 /nfs/dbraw/zinc/07/43/64/372074364.db2.gz BJPXNKLJAWRMFH-JCGIZDLHSA-N 0 3 299.418 2.462 20 30 CEEDHN Cc1nc([C@@H]2CCCN(Cc3cccc(C#N)c3)C2)n[nH]1 ZINC000268420074 372099898 /nfs/dbraw/zinc/09/98/98/372099898.db2.gz CMJGVIFIKOCQEQ-OAHLLOKOSA-N 0 3 281.363 2.364 20 30 CEEDHN Cc1n[nH]c([C@@H]2CCCN(Cc3cccc(C#N)c3)C2)n1 ZINC000268420074 372099901 /nfs/dbraw/zinc/09/99/01/372099901.db2.gz CMJGVIFIKOCQEQ-OAHLLOKOSA-N 0 3 281.363 2.364 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(c2cccc(C)c2)CC1 ZINC000268632200 372161365 /nfs/dbraw/zinc/16/13/65/372161365.db2.gz KSQINJJVFFAXLA-QGZVFWFLSA-N 0 3 274.408 2.444 20 30 CEEDHN C=C(C)CN1CCC(Nc2cc(CO)ccn2)CC1 ZINC000641358096 372460899 /nfs/dbraw/zinc/46/08/99/372460899.db2.gz GFPCMWXGZWZNMZ-UHFFFAOYSA-N 0 3 261.369 2.026 20 30 CEEDHN C[C@H](O)C[C@H]1CCCN1CCOc1ccccc1C#N ZINC000269863880 372582925 /nfs/dbraw/zinc/58/29/25/372582925.db2.gz WRYFCGPIDLZPMR-DZGCQCFKSA-N 0 3 274.364 2.172 20 30 CEEDHN CC#CC[C@@H](CO)NCc1c[nH]nc1-c1ccsc1 ZINC000641768325 372707292 /nfs/dbraw/zinc/70/72/92/372707292.db2.gz ZJBMEQNUDXLYKT-ZDUSSCGKSA-N 0 3 275.377 2.002 20 30 CEEDHN CC#CC[C@@H](CO)NCc1csc(Br)c1 ZINC000641769685 372712534 /nfs/dbraw/zinc/71/25/34/372712534.db2.gz XYBPQRCBTGAGGB-JTQLQIEISA-N 0 3 288.210 2.375 20 30 CEEDHN C#CCOc1ccc(CNC[C@](C)(O)C(F)(F)F)cc1 ZINC000270550785 372839620 /nfs/dbraw/zinc/83/96/20/372839620.db2.gz MDSKGAGNRRQIBV-ZDUSSCGKSA-N 0 3 287.281 2.102 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H]1CCO[C@@H]1C1CC1 ZINC000365387653 372843294 /nfs/dbraw/zinc/84/32/94/372843294.db2.gz UBBLDVFPEYTLBJ-GOEBONIOSA-N 0 3 272.348 2.224 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000365387652 372844844 /nfs/dbraw/zinc/84/48/44/372844844.db2.gz UBBLDVFPEYTLBJ-GDBMZVCRSA-N 0 3 272.348 2.224 20 30 CEEDHN N#Cc1ccc2ncc(CNCCC(F)(F)F)n2c1 ZINC000344691029 217278829 /nfs/dbraw/zinc/27/88/29/217278829.db2.gz GXMSSHQXSWTGCT-UHFFFAOYSA-N 0 3 268.242 2.248 20 30 CEEDHN N#Cc1cccc(OCCN2CC[C@H]3OCC[C@H]3C2)c1 ZINC000365887476 372951242 /nfs/dbraw/zinc/95/12/42/372951242.db2.gz VWONWIUWYODYGA-GOEBONIOSA-N 0 3 272.348 2.048 20 30 CEEDHN C#CCCCN(C)Cc1cn(C)nc1C(F)(F)F ZINC000270988729 373052678 /nfs/dbraw/zinc/05/26/78/373052678.db2.gz DLJXCYXHWDUDQO-UHFFFAOYSA-N 0 3 259.275 2.284 20 30 CEEDHN C#CCCCN1CCN(c2ccc(Cl)cn2)CC1 ZINC000271006031 373060552 /nfs/dbraw/zinc/06/05/52/373060552.db2.gz GYCXCLNXSMJBAG-UHFFFAOYSA-N 0 3 263.772 2.270 20 30 CEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(C#N)cc1 ZINC000271064169 373102122 /nfs/dbraw/zinc/10/21/22/373102122.db2.gz WQVSKXFBTCTAMJ-ZDUSSCGKSA-N 0 3 285.391 2.361 20 30 CEEDHN C#CCCCN(CCOC)Cc1ccc2c(c1)OCO2 ZINC000271070538 373103748 /nfs/dbraw/zinc/10/37/48/373103748.db2.gz VJWSZNKBMQFGPB-UHFFFAOYSA-N 0 3 275.348 2.277 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC1CCN(Cc2cccs2)CC1 ZINC000368427429 373238765 /nfs/dbraw/zinc/23/87/65/373238765.db2.gz UVIAZSOCZXLNOS-GFCCVEGCSA-N 0 3 291.420 2.033 20 30 CEEDHN C[C@H](NC[C@@H](O)C1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000271969303 373239322 /nfs/dbraw/zinc/23/93/22/373239322.db2.gz TZXQJTVUOAHQGM-MEDUHNTESA-N 0 3 292.354 2.135 20 30 CEEDHN CS[C@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1N(C)C ZINC000272022410 373264523 /nfs/dbraw/zinc/26/45/23/373264523.db2.gz LPJISOVVWFYUDM-CABCVRRESA-N 0 3 293.411 2.175 20 30 CEEDHN C=CCN(CCOC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000369145734 373344035 /nfs/dbraw/zinc/34/40/35/373344035.db2.gz ZISDFDXNTWWXEV-KRWDZBQOSA-N 0 3 274.408 2.395 20 30 CEEDHN C[C@H](NCCc1cn[nH]c1)c1ccc(C#N)cc1F ZINC000353604727 220186380 /nfs/dbraw/zinc/18/63/80/220186380.db2.gz ACFABHHIWRWDAU-JTQLQIEISA-N 0 3 258.300 2.314 20 30 CEEDHN N#Cc1ccc(CNCc2cccc(-n3cncn3)c2)cc1 ZINC000369402274 373406684 /nfs/dbraw/zinc/40/66/84/373406684.db2.gz FHLMYNWNNHJMPS-UHFFFAOYSA-N 0 3 289.342 2.429 20 30 CEEDHN N#Cc1ccc(CNCCOc2ncccc2F)cc1 ZINC000344988113 217377440 /nfs/dbraw/zinc/37/74/40/217377440.db2.gz XEJFPVGMDPCGBG-UHFFFAOYSA-N 0 3 271.295 2.261 20 30 CEEDHN COC(=O)[C@]12CCC[C@@H]1CN(Cc1ccccc1C#N)C2 ZINC000369923741 373538057 /nfs/dbraw/zinc/53/80/57/373538057.db2.gz PBUXSLVRHDMXGQ-WBVHZDCISA-N 0 3 284.359 2.333 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272589418 373564540 /nfs/dbraw/zinc/56/45/40/373564540.db2.gz XBNNBTYPGGUGRM-UKRRQHHQSA-N 0 3 262.397 2.307 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N[C@@H](C)C1=CCN(C)CC1)OCC ZINC000272673952 373610379 /nfs/dbraw/zinc/61/03/79/373610379.db2.gz JLMGPYHISYDUKW-DZGCQCFKSA-N 0 3 280.412 2.124 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000272855032 373680421 /nfs/dbraw/zinc/68/04/21/373680421.db2.gz LVAOPYDWFGTTDW-XJKSGUPXSA-N 0 3 293.432 2.419 20 30 CEEDHN C[C@H](NC(=O)NCc1cccc(C#N)c1)C1=CCN(C)CC1 ZINC000272893799 373698383 /nfs/dbraw/zinc/69/83/83/373698383.db2.gz ZVOOIMAFMAJUOU-ZDUSSCGKSA-N 0 3 298.390 2.008 20 30 CEEDHN C=CCOCCN1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000645077819 373841708 /nfs/dbraw/zinc/84/17/08/373841708.db2.gz HLBFWIQAQDMSLY-CQSZACIVSA-N 0 3 261.369 2.167 20 30 CEEDHN C=CCCCCNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000274523291 373949713 /nfs/dbraw/zinc/94/97/13/373949713.db2.gz BOOCXWQCEGWXGU-UHFFFAOYSA-N 0 3 291.395 2.108 20 30 CEEDHN C=CCCCN1CCCC[C@H]1C(=O)N1CCCC1 ZINC000371720818 373959946 /nfs/dbraw/zinc/95/99/46/373959946.db2.gz ARONKXIARUEFGD-AWEZNQCLSA-N 0 3 250.386 2.430 20 30 CEEDHN CN(CCN(C)C1CC1)c1ncc(C#N)cc1Cl ZINC000274486092 373940599 /nfs/dbraw/zinc/94/05/99/373940599.db2.gz OWNADCFYPLYFHB-UHFFFAOYSA-N 0 3 264.760 2.137 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](c2ccc(C)cc2)C1 ZINC000371745780 373965879 /nfs/dbraw/zinc/96/58/79/373965879.db2.gz FLQHFPOQQMJIBC-ZBFHGGJFSA-N 0 3 272.392 2.475 20 30 CEEDHN C=CCC[C@@H](C)NCc1cccc(N2CCOCC2)n1 ZINC000274736539 374031108 /nfs/dbraw/zinc/03/11/08/374031108.db2.gz DFKJGQUBEYONHL-CQSZACIVSA-N 0 3 275.396 2.363 20 30 CEEDHN CC#CC[C@@H](CO)Nc1cc(C)nc2ccccc21 ZINC000645402739 374032024 /nfs/dbraw/zinc/03/20/24/374032024.db2.gz FQLRDIZKKHEHLU-ZDUSSCGKSA-N 0 3 254.333 2.151 20 30 CEEDHN CC(=O)NCC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000275104706 374154286 /nfs/dbraw/zinc/15/42/86/374154286.db2.gz VBMCQUAUBRSBKD-ZDUSSCGKSA-N 0 3 285.391 2.467 20 30 CEEDHN Cn1cc(CNCCc2ccccc2[N+](=O)[O-])cc1C#N ZINC000276950218 374356054 /nfs/dbraw/zinc/35/60/54/374356054.db2.gz JLYMSNLUSPIIKX-UHFFFAOYSA-N 0 3 284.319 2.137 20 30 CEEDHN Cn1cc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)cc1C#N ZINC000276998672 374374961 /nfs/dbraw/zinc/37/49/61/374374961.db2.gz YLZPUFKJSDVORM-CQSZACIVSA-N 0 3 282.347 2.165 20 30 CEEDHN CC#CC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000277367710 374494101 /nfs/dbraw/zinc/49/41/01/374494101.db2.gz GFLNXPHLOIAAIK-HNNXBMFYSA-N 0 3 270.376 2.133 20 30 CEEDHN N#Cc1cccc(NC[C@@H]2CCCCN2C2CC2)n1 ZINC000277425608 374514201 /nfs/dbraw/zinc/51/42/01/374514201.db2.gz MAEDJXIOKIBHQL-AWEZNQCLSA-N 0 3 256.353 2.382 20 30 CEEDHN CC#CC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000277824515 374658662 /nfs/dbraw/zinc/65/86/62/374658662.db2.gz XGGRSHAFQZXDMZ-UHFFFAOYSA-N 0 3 297.402 2.180 20 30 CEEDHN N#Cc1ccc(NC(=O)CN2CCC[C@H]2C2CC2)cc1 ZINC000377533218 374876587 /nfs/dbraw/zinc/87/65/87/374876587.db2.gz GOMLYSJUDCNSNZ-HNNXBMFYSA-N 0 3 269.348 2.371 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(F)c(C#N)c1 ZINC000279375714 374852492 /nfs/dbraw/zinc/85/24/92/374852492.db2.gz HLPZMHGOCBXLJB-NHYWBVRUSA-N 0 3 289.354 2.110 20 30 CEEDHN C#CCOc1ccccc1CN1CCC[C@](C)(O)CC1 ZINC000279718474 374965083 /nfs/dbraw/zinc/96/50/83/374965083.db2.gz UHXKDMCSSOJBQZ-KRWDZBQOSA-N 0 3 273.376 2.436 20 30 CEEDHN COc1ccc(CN2CC[C@H](c3nccn3C)C2)cc1C#N ZINC000378360811 375081660 /nfs/dbraw/zinc/08/16/60/375081660.db2.gz CQROEDPTWKRPRX-AWEZNQCLSA-N 0 3 296.374 2.290 20 30 CEEDHN C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cccc(C#N)c1 ZINC000378448256 375102442 /nfs/dbraw/zinc/10/24/42/375102442.db2.gz CNMPECQNFMUJNX-YXAMBPQSSA-N 0 3 283.375 2.218 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cn2ccccc2n1 ZINC000280734521 375302449 /nfs/dbraw/zinc/30/24/49/375302449.db2.gz WEIOEYUQFSOUPN-CJNGLKHVSA-N 0 3 271.364 2.405 20 30 CEEDHN CN(C)C1(CNc2c(F)cc(C#N)cc2F)CC1 ZINC000397901235 375344555 /nfs/dbraw/zinc/34/45/55/375344555.db2.gz SOEICRCYZMNUEA-UHFFFAOYSA-N 0 3 251.280 2.343 20 30 CEEDHN COc1cc(CNCCOC(F)(F)F)ccc1C#N ZINC000398164879 375346758 /nfs/dbraw/zinc/34/67/58/375346758.db2.gz KXANOAFSZQZTAA-UHFFFAOYSA-N 0 3 274.242 2.193 20 30 CEEDHN CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]1C#N)N1CCCCC1 ZINC000408339195 375458204 /nfs/dbraw/zinc/45/82/04/375458204.db2.gz OKPRVLGTPQAAQE-RRFJBIMHSA-N 0 3 277.412 2.305 20 30 CEEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCCC(F)(F)[C@@H]2O)C1 ZINC000414309328 375829434 /nfs/dbraw/zinc/82/94/34/375829434.db2.gz XQVZVECYMMVWIG-WHOHXGKFSA-N 0 3 258.312 2.207 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](CO)c2ccc(F)cc2)o1 ZINC000414531753 375839977 /nfs/dbraw/zinc/83/99/77/375839977.db2.gz SFRCOSTZIKWEPF-LBPRGKRZSA-N 0 3 274.295 2.156 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCCCC[C@@H]1C[C@@H](C)O ZINC000286210810 375873167 /nfs/dbraw/zinc/87/31/67/375873167.db2.gz YHWLJZVNAPRHLX-HZPDHXFCSA-N 0 3 294.439 2.203 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCC[C@H](CO)C2)c(F)c1 ZINC000414578065 375867506 /nfs/dbraw/zinc/86/75/06/375867506.db2.gz PFYHHGSVHJWGQF-JSGCOSHPSA-N 0 3 262.328 2.338 20 30 CEEDHN N#Cc1ccnc(NC[C@H]2CCCCN2C2CC2)c1 ZINC000287548759 376257055 /nfs/dbraw/zinc/25/70/55/376257055.db2.gz BXKXMUQFOZLFLU-CQSZACIVSA-N 0 3 256.353 2.382 20 30 CEEDHN C=CCNC(=O)CN(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419324040 376442093 /nfs/dbraw/zinc/44/20/93/376442093.db2.gz JLQVPSKFMZMKJT-STQMWFEESA-N 0 3 252.402 2.435 20 30 CEEDHN C[C@H](NC[C@]1(O)CCSC1)c1ccc(C#N)cc1F ZINC000305805161 376496782 /nfs/dbraw/zinc/49/67/82/376496782.db2.gz GAMQURLRDOSGBZ-IINYFYTJSA-N 0 3 280.368 2.216 20 30 CEEDHN C[C@@H](NCCSCCCO)c1ccc(C#N)cc1F ZINC000305807860 376499402 /nfs/dbraw/zinc/49/94/02/376499402.db2.gz HHXMMVWTJFMBMB-LLVKDONJSA-N 0 3 282.384 2.464 20 30 CEEDHN CN(Cc1cnc2ccc(C#N)cn12)C[C@@H]1CCCC[C@H]1O ZINC000305810177 376502410 /nfs/dbraw/zinc/50/24/10/376502410.db2.gz HSRBMZAKTWFKEJ-GOEBONIOSA-N 0 3 298.390 2.189 20 30 CEEDHN N#Cc1nccnc1NCCCN1CCc2ccccc2C1 ZINC000263898965 190084332 /nfs/dbraw/zinc/08/43/32/190084332.db2.gz PTGPPBLCZMDEDT-UHFFFAOYSA-N 0 3 293.374 2.209 20 30 CEEDHN Cc1nc2n(n1)C[C@@H](N[C@@H]1CCc3ccc(C#N)cc31)CC2 ZINC000557535280 376564568 /nfs/dbraw/zinc/56/45/68/376564568.db2.gz AUZCCNLAFKDOGT-GOEBONIOSA-N 0 3 293.374 2.050 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000684898429 542085984 /nfs/dbraw/zinc/08/59/84/542085984.db2.gz DDJTUAKWJUDJMR-UONOGXRCSA-N 0 3 265.401 2.125 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](CCO)CC1 ZINC000421014584 376789204 /nfs/dbraw/zinc/78/92/04/376789204.db2.gz KNWBFEOFZBTENA-HZPDHXFCSA-N 0 3 294.439 2.060 20 30 CEEDHN C=CCOc1ccccc1CN(C)C[C@H](O)C1CC1 ZINC000685461811 542142524 /nfs/dbraw/zinc/14/25/24/542142524.db2.gz VPGJPKPNLIVQCC-HNNXBMFYSA-N 0 3 261.365 2.454 20 30 CEEDHN Cc1noc(C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000328740365 376889582 /nfs/dbraw/zinc/88/95/82/376889582.db2.gz IKKILZJVSXNOLJ-YPMHNXCESA-N 0 3 260.341 2.250 20 30 CEEDHN Cc1nc(C)c(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)nc1C ZINC000329615394 376975214 /nfs/dbraw/zinc/97/52/14/376975214.db2.gz KXACIQXVEMNAFH-YMTOWFKASA-N 0 3 288.395 2.189 20 30 CEEDHN CN(C)[C@@H]1CCOc2c(Nc3cncc(C#N)n3)cccc21 ZINC000562928502 377023631 /nfs/dbraw/zinc/02/36/31/377023631.db2.gz MQTBPHOAGMVPCI-CQSZACIVSA-N 0 3 295.346 2.477 20 30 CEEDHN CCN(CCOc1ccc(C#N)cc1)C[C@@H](C)OC ZINC000291188131 377112063 /nfs/dbraw/zinc/11/20/63/377112063.db2.gz IOKLIJMHQYIFGN-CYBMUJFWSA-N 0 3 262.353 2.294 20 30 CEEDHN CCN(CCOc1ccccc1C#N)C[C@@H](C)OC ZINC000291258784 377143479 /nfs/dbraw/zinc/14/34/79/377143479.db2.gz ONXCPOGDHHRKSE-CYBMUJFWSA-N 0 3 262.353 2.294 20 30 CEEDHN C#CCN(C)CCCNc1ncnc2cccc(F)c21 ZINC000292633035 377258233 /nfs/dbraw/zinc/25/82/33/377258233.db2.gz AIKWNCNBBFDKOH-UHFFFAOYSA-N 0 3 272.327 2.136 20 30 CEEDHN CCn1nccc1NC(=O)NCC(C)(C)N1CCCCC1 ZINC000330684975 377200079 /nfs/dbraw/zinc/20/00/79/377200079.db2.gz KSPPBOGPZPXWRI-UHFFFAOYSA-N 0 3 293.415 2.493 20 30 CEEDHN N#Cc1ccccc1CN1CC[C@@H](O)C12CCCC2 ZINC000292855502 377315362 /nfs/dbraw/zinc/31/53/62/377315362.db2.gz VXQVUDANDIFKKS-OAHLLOKOSA-N 0 3 256.349 2.438 20 30 CEEDHN C=CCC1(C(=O)N[C@@H](C)C2=CCN(C)CC2)CCOCC1 ZINC000424759105 377291197 /nfs/dbraw/zinc/29/11/97/377291197.db2.gz JZSSCXGEJLMYQA-AWEZNQCLSA-N 0 3 292.423 2.126 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](C)C[C@H]1C ZINC000425522705 377362919 /nfs/dbraw/zinc/36/29/19/377362919.db2.gz NNCRSXAOFPLJKL-HZSPNIEDSA-N 0 3 265.401 2.115 20 30 CEEDHN C[C@H](CCC#N)N(C)CCCN1C(=O)c2ccccc2C1=O ZINC000425550619 377372038 /nfs/dbraw/zinc/37/20/38/377372038.db2.gz NFQNYJQKODVYDA-CYBMUJFWSA-N 0 3 299.374 2.297 20 30 CEEDHN Clc1cccc(C#CCN2CC[C@H](c3nc[nH]n3)C2)c1 ZINC000425552057 377372320 /nfs/dbraw/zinc/37/23/20/377372320.db2.gz RAHGBMCTKYFMEP-ZDUSSCGKSA-N 0 3 286.766 2.299 20 30 CEEDHN CC(C)[C@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CCCO1 ZINC000292964573 377372383 /nfs/dbraw/zinc/37/23/83/377372383.db2.gz GDGNVRUIKSIUOA-DLBZAZTESA-N 0 3 288.391 2.339 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@H](CO)[C@@H]1C ZINC000425995388 377390784 /nfs/dbraw/zinc/39/07/84/377390784.db2.gz UYOAJYBFLAYYGE-DZGCQCFKSA-N 0 3 261.365 2.454 20 30 CEEDHN CC#CCCN1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000428795476 377501250 /nfs/dbraw/zinc/50/12/50/377501250.db2.gz RLCJSOLTXOHIHS-QGZVFWFLSA-N 0 3 271.360 2.217 20 30 CEEDHN C[C@H](CNC(=O)c1ccc(C#N)o1)N1CCCC[C@@H]1C ZINC000428167279 377484162 /nfs/dbraw/zinc/48/41/62/377484162.db2.gz VDDGIQYRZSCCKG-NWDGAFQWSA-N 0 3 275.352 2.144 20 30 CEEDHN C=CCCCC(=O)NCCCNCc1cccnc1 ZINC000428157124 377484225 /nfs/dbraw/zinc/48/42/25/377484225.db2.gz OLQRSAAONQIXFP-UHFFFAOYSA-N 0 3 261.369 2.034 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2CC23CCCC3)CC1 ZINC000428586275 377496232 /nfs/dbraw/zinc/49/62/32/377496232.db2.gz FTNJFBCPRIRSSN-AWEZNQCLSA-N 0 3 277.412 2.269 20 30 CEEDHN C=C(C)CN1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000428779339 377500505 /nfs/dbraw/zinc/50/05/05/377500505.db2.gz LBMFLIBBXPYMAS-INIZCTEOSA-N 0 3 259.349 2.379 20 30 CEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000429723429 377519262 /nfs/dbraw/zinc/51/92/62/377519262.db2.gz UYZOEIFQZAFMLP-HNNXBMFYSA-N 0 3 289.423 2.453 20 30 CEEDHN C=CCN(C)CCN(CC)CC(=O)N1CCCC[C@@H]1CC ZINC000429717139 377520045 /nfs/dbraw/zinc/52/00/45/377520045.db2.gz QDSLUXSAACLWFV-INIZCTEOSA-N 0 3 295.471 2.217 20 30 CEEDHN Cc1[nH]nc2ncc(CNCC3(CC#N)CC3)cc12 ZINC000430037298 377523736 /nfs/dbraw/zinc/52/37/36/377523736.db2.gz RYWKGTBFFNVRND-UHFFFAOYSA-N 0 3 255.325 2.050 20 30 CEEDHN COCC#CCN[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000685595751 542165710 /nfs/dbraw/zinc/16/57/10/542165710.db2.gz ORXBNEKZDGBRLS-HOTGVXAUSA-N 0 3 292.810 2.325 20 30 CEEDHN COc1cc(CN2CC[C@@H](O)C23CCCC3)ccc1C#N ZINC000293513959 377603120 /nfs/dbraw/zinc/60/31/20/377603120.db2.gz AIKMCLNKIZPOMH-MRXNPFEDSA-N 0 3 286.375 2.446 20 30 CEEDHN C#CCSCCNCc1cnc2ccc(Cl)cn12 ZINC000265785290 190206533 /nfs/dbraw/zinc/20/65/33/190206533.db2.gz PNZFKCIENZQQQJ-UHFFFAOYSA-N 0 3 279.796 2.444 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc3cnccc3n2)CC1 ZINC000565878658 377703883 /nfs/dbraw/zinc/70/38/83/377703883.db2.gz VEWVIMOHERVSKY-UHFFFAOYSA-N 0 3 296.374 2.010 20 30 CEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cscc1C#N ZINC000432879063 377778089 /nfs/dbraw/zinc/77/80/89/377778089.db2.gz NWQWLLFBWBZFGT-NWDGAFQWSA-N 0 3 291.420 2.470 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000566910749 377781292 /nfs/dbraw/zinc/78/12/92/377781292.db2.gz ICEPXLGAMGWFGD-BFHYXJOUSA-N 0 3 299.374 2.189 20 30 CEEDHN C[C@H](Cn1cccn1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433223086 377781976 /nfs/dbraw/zinc/78/19/76/377781976.db2.gz MELQMBKUXMIMIY-GDBMZVCRSA-N 0 3 296.374 2.160 20 30 CEEDHN CC(C)[C@H](C(=O)NCC1(CC#N)CC1)N1CCCCC1 ZINC000435956700 377815178 /nfs/dbraw/zinc/81/51/78/377815178.db2.gz JFSOBTFXLIZABJ-CQSZACIVSA-N 0 3 277.412 2.307 20 30 CEEDHN CC(C#N)C(=O)N(CCc1ccccn1)Cc1cccnc1 ZINC000436033785 377818997 /nfs/dbraw/zinc/81/89/97/377818997.db2.gz MLPIBQBBJCUVHL-AWEZNQCLSA-N 0 3 294.358 2.208 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(-c2cnco2)cc1 ZINC000293910443 377822373 /nfs/dbraw/zinc/82/23/73/377822373.db2.gz FYNVYLRUPHATPR-UHFFFAOYSA-N 0 3 297.358 2.027 20 30 CEEDHN C[C@H]1C[C@@H](Nc2c(C#N)cccc2C#N)CCN1C ZINC000436386620 377825065 /nfs/dbraw/zinc/82/50/65/377825065.db2.gz JFDIDCSQHWZMPC-FZMZJTMJSA-N 0 3 254.337 2.325 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCCCO1 ZINC000433307229 377787468 /nfs/dbraw/zinc/78/74/68/377787468.db2.gz UXXSXJSQVQDKMK-HZPDHXFCSA-N 0 3 286.375 2.444 20 30 CEEDHN CC[C@H](CC#N)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000433373832 377791687 /nfs/dbraw/zinc/79/16/87/377791687.db2.gz HNNYXMZCNQMZGF-HUUCEWRRSA-N 0 3 273.380 2.488 20 30 CEEDHN C=CCCCN1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440487332 377929641 /nfs/dbraw/zinc/92/96/41/377929641.db2.gz BFICXXTWESKPIH-MRXNPFEDSA-N 0 3 282.428 2.348 20 30 CEEDHN N#CCNC(=O)CNC1(c2ccccc2)CCCCC1 ZINC000440918999 377932061 /nfs/dbraw/zinc/93/20/61/377932061.db2.gz DHNVOQLPCWHGIA-UHFFFAOYSA-N 0 3 271.364 2.075 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)NCC2CCC(C#N)CC2)CCCN1C ZINC000440984897 377932994 /nfs/dbraw/zinc/93/29/94/377932994.db2.gz HCCMTTGIPKOGPV-XSCHDIRWSA-N 0 3 292.427 2.098 20 30 CEEDHN COc1ccc(CC(C)(C)NC(=O)C(C)C#N)cc1 ZINC000438535652 377905866 /nfs/dbraw/zinc/90/58/66/377905866.db2.gz MCLAPSYBRCYWPA-NSHDSACASA-N 0 3 260.337 2.292 20 30 CEEDHN C=CCOCCN[C@@H](CO)c1ccc(Cl)cc1 ZINC000294670035 378006772 /nfs/dbraw/zinc/00/67/72/378006772.db2.gz RTVDRVCSSWZJHL-ZDUSSCGKSA-N 0 3 255.745 2.166 20 30 CEEDHN C#CCN(C)CCCN[C@@H](C)c1cnn(C(C)C)c1 ZINC000294535663 377994874 /nfs/dbraw/zinc/99/48/74/377994874.db2.gz AIHNOBLZONCOOP-AWEZNQCLSA-N 0 3 262.401 2.070 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cncc(Cl)c2)CC1 ZINC000295042102 378035976 /nfs/dbraw/zinc/03/59/76/378035976.db2.gz JHJOALDRKVUGMW-UHFFFAOYSA-N 0 3 279.771 2.115 20 30 CEEDHN C#CCOc1ccc(CN[C@@H](CC)[C@H](O)C(F)F)cc1 ZINC000295064142 378038285 /nfs/dbraw/zinc/03/82/85/378038285.db2.gz OPDWOCQJOZWKDA-KBPBESRZSA-N 0 3 283.318 2.193 20 30 CEEDHN C#CCN(C)CCC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000295131059 378043803 /nfs/dbraw/zinc/04/38/03/378043803.db2.gz ZVEINSBWLIOLNT-AWEZNQCLSA-N 0 3 260.381 2.306 20 30 CEEDHN N#CCC[C@@H](C#N)CN[C@@H](CCO)C1CCCCC1 ZINC000574691644 335040127 /nfs/dbraw/zinc/04/01/27/335040127.db2.gz KIAFIAAZHVZEDI-ZFWWWQNUSA-N 0 3 263.385 2.351 20 30 CEEDHN C=C[C@H]1CCCCN1[C@@H]1CCCN(C(C)C)C1=O ZINC000447880229 378152482 /nfs/dbraw/zinc/15/24/82/378152482.db2.gz UJZUDTYDAUBBNG-UONOGXRCSA-N 0 3 250.386 2.426 20 30 CEEDHN CN(Cc1ncc[nH]1)C(=O)C(C#N)CCc1ccccc1 ZINC000448935822 378191738 /nfs/dbraw/zinc/19/17/38/378191738.db2.gz JYHVDUHIGHSLQX-AWEZNQCLSA-N 0 3 282.347 2.141 20 30 CEEDHN C=C(C)CCN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000449479968 378213782 /nfs/dbraw/zinc/21/37/82/378213782.db2.gz WWNFQZZYDKDPHS-CYBMUJFWSA-N 0 3 267.394 2.405 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(OC)c(OC)c(OC)c1 ZINC000449517748 378215001 /nfs/dbraw/zinc/21/50/01/378215001.db2.gz HICXUFCKKOJVTR-OLZOCXBDSA-N 0 3 293.363 2.146 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc2cc(C)ccn12 ZINC000449523836 378216172 /nfs/dbraw/zinc/21/61/72/378216172.db2.gz YURVDFUMUHGRHN-KGLIPLIRSA-N 0 3 257.337 2.076 20 30 CEEDHN C#CCN(Cc1ccc(F)cc1)C[C@@H]1CCNC(=O)CC1 ZINC000295573851 378219375 /nfs/dbraw/zinc/21/93/75/378219375.db2.gz RKURDWQGYPTZNU-HNNXBMFYSA-N 0 3 288.366 2.177 20 30 CEEDHN C=CCCOCCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000450250006 378327322 /nfs/dbraw/zinc/32/73/22/378327322.db2.gz FTUGSYWFMYELRU-INIZCTEOSA-N 0 3 294.439 2.492 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2C#N)CCN(C2CC2)C1 ZINC000296086510 378413220 /nfs/dbraw/zinc/41/32/20/378413220.db2.gz QXTLFCGAZVCYED-AWEZNQCLSA-N 0 3 269.392 2.474 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1cc(F)cc(F)c1 ZINC000296566063 378578221 /nfs/dbraw/zinc/57/82/21/378578221.db2.gz LEDHFJWLOSNYEU-UHFFFAOYSA-N 0 3 281.306 2.041 20 30 CEEDHN C#CCN(C)CCC(=O)Nc1ccc(Br)cc1 ZINC000298579259 378772690 /nfs/dbraw/zinc/77/26/90/378772690.db2.gz QXPIUNOADJYWAG-UHFFFAOYSA-N 0 3 295.180 2.343 20 30 CEEDHN C[C@@H](NC[C@]1(C)CCC(=O)N1)c1ccc(C#N)cc1F ZINC000453436641 378903765 /nfs/dbraw/zinc/90/37/65/378903765.db2.gz URZHEXFOQKJIBP-BMIGLBTASA-N 0 3 275.327 2.017 20 30 CEEDHN CC(C)[C@@H]1CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000299232395 378938371 /nfs/dbraw/zinc/93/83/71/378938371.db2.gz QHNUREJZXJQHNH-INIZCTEOSA-N 0 3 285.391 2.295 20 30 CEEDHN C[C@@]1(F)CCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000347347955 218200155 /nfs/dbraw/zinc/20/01/55/218200155.db2.gz JTKOYDJYLBOJHF-OAHLLOKOSA-N 0 3 275.327 2.321 20 30 CEEDHN CC[C@@H](NCC(=O)N(C)CC)c1ccc(C#N)cc1 ZINC000278896788 194201966 /nfs/dbraw/zinc/20/19/66/194201966.db2.gz YZQCFSBHIVQDPU-CQSZACIVSA-N 0 3 259.353 2.077 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000266543020 190265255 /nfs/dbraw/zinc/26/52/55/190265255.db2.gz QTGCHMSEFMLMBH-DLBZAZTESA-N 0 3 297.402 2.439 20 30 CEEDHN C=CCC[C@@H](NCCNC(=O)c1ccn[nH]1)c1ccco1 ZINC000278906209 194206647 /nfs/dbraw/zinc/20/66/47/194206647.db2.gz JFBYPUYFWHORQP-GFCCVEGCSA-N 0 3 288.351 2.030 20 30 CEEDHN CCN1C[C@@H](C)N(CCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000347711187 218329549 /nfs/dbraw/zinc/32/95/49/218329549.db2.gz YTALFEBBMFULLB-GASCZTMLSA-N 0 3 287.407 2.352 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000347710282 218330390 /nfs/dbraw/zinc/33/03/90/218330390.db2.gz SONLVSHDXKSKRA-OKILXGFUSA-N 0 3 257.381 2.473 20 30 CEEDHN C[C@H]1CCCN(CCOc2ccc(C#N)cc2)[C@@H]1CO ZINC000305185598 379676421 /nfs/dbraw/zinc/67/64/21/379676421.db2.gz PIYOMFQBYVHCDN-XJKSGUPXSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)NC1(C#N)CCC1 ZINC000527377136 379754748 /nfs/dbraw/zinc/75/47/48/379754748.db2.gz SICAUFCKGCZEAV-MGPQQGTHSA-N 0 3 275.396 2.202 20 30 CEEDHN COc1ccc(CN2CCC[C@@H](C)[C@H]2CO)cc1C#N ZINC000305708839 379736940 /nfs/dbraw/zinc/73/69/40/379736940.db2.gz DPEHWDWPNLIKNX-IUODEOHRSA-N 0 3 274.364 2.160 20 30 CEEDHN C[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)[C@H]2CCCC[C@H]12 ZINC000527377093 379755454 /nfs/dbraw/zinc/75/54/54/379755454.db2.gz IDSPXOHLOONXKM-KFWWJZLASA-N 0 3 289.423 2.449 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]1C(C)(C)O ZINC000305715173 379737749 /nfs/dbraw/zinc/73/77/49/379737749.db2.gz GUZGOLYVBVFCFC-OAHLLOKOSA-N 0 3 274.364 2.302 20 30 CEEDHN N#Cc1nc(NCCN2CCCC2)ccc1Cl ZINC000267270225 190316814 /nfs/dbraw/zinc/31/68/14/190316814.db2.gz ZJEUXBRTJIPPAN-UHFFFAOYSA-N 0 3 250.733 2.114 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)C[C@@H]1CCC[C@@H]1O ZINC000305356461 379709666 /nfs/dbraw/zinc/70/96/66/379709666.db2.gz SACXBKGKUDAVMT-ZFWWWQNUSA-N 0 3 274.364 2.160 20 30 CEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N(C)CC(C)(C)C#N ZINC000457932360 379961984 /nfs/dbraw/zinc/96/19/84/379961984.db2.gz LYZYHFUNKHZZRA-KBPBESRZSA-N 0 3 294.443 2.298 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000478206976 380078022 /nfs/dbraw/zinc/07/80/22/380078022.db2.gz KEYWWSIRGPHXIZ-KPXOXKRLSA-N 0 3 280.274 2.420 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000477986851 380078191 /nfs/dbraw/zinc/07/81/91/380078191.db2.gz HWJBAXVAJYHMCA-TUKIKUTGSA-N 0 3 280.331 2.004 20 30 CEEDHN Cc1ccc([C@H](C)NC(=O)C(C)C#N)cc1[N+](=O)[O-] ZINC000487974470 380090817 /nfs/dbraw/zinc/09/08/17/380090817.db2.gz ANBGYHUMVHZMNO-ZJUUUORDSA-N 0 3 261.281 2.240 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000267984386 190367479 /nfs/dbraw/zinc/36/74/79/190367479.db2.gz GZQWJBKISQURHX-CQSZACIVSA-N 0 3 294.395 2.151 20 30 CEEDHN C[C@H]1C[C@H]1CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000488295194 380093034 /nfs/dbraw/zinc/09/30/34/380093034.db2.gz LQJVUBNRYVZQDD-YOEHRIQHSA-N 0 3 269.392 2.332 20 30 CEEDHN CCO[C@@H]1C[C@H](NC(=O)C(C)C#N)C1(CC)CC ZINC000488131095 380093284 /nfs/dbraw/zinc/09/32/84/380093284.db2.gz UBBCWKYFWJJVRR-GRYCIOLGSA-N 0 3 252.358 2.246 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000268320893 190395570 /nfs/dbraw/zinc/39/55/70/190395570.db2.gz ZRWKXCUPKNCFBL-DOMZBBRYSA-N 0 3 262.397 2.354 20 30 CEEDHN C=CCCOCCCCC(=O)NC[C@H]1CCCN(C)C1 ZINC000537193298 380239192 /nfs/dbraw/zinc/23/91/92/380239192.db2.gz AMZGGZYFWFKDCB-OAHLLOKOSA-N 0 3 282.428 2.207 20 30 CEEDHN N#CCc1ccc(CN2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC000543209588 380326537 /nfs/dbraw/zinc/32/65/37/380326537.db2.gz XGYAPXHSJCALGV-QGZVFWFLSA-N 0 3 297.402 2.339 20 30 CEEDHN CC(C#N)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000334343546 380276761 /nfs/dbraw/zinc/27/67/61/380276761.db2.gz RDIZYTHEPXKURH-MFKMUULPSA-N 0 3 278.739 2.400 20 30 CEEDHN C#C[C@H](C)N(C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000491376043 380312545 /nfs/dbraw/zinc/31/25/45/380312545.db2.gz YJHGNXXYLMJPFM-NSHDSACASA-N 0 3 254.374 2.243 20 30 CEEDHN C#C[C@H](NC[C@H](O)COc1ccc(SC)cc1)C(C)C ZINC000491640651 380339614 /nfs/dbraw/zinc/33/96/14/380339614.db2.gz YRDJZSYPHYIERA-BBRMVZONSA-N 0 3 293.432 2.396 20 30 CEEDHN C[C@H]1CCN(CCNC(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000491957126 380398484 /nfs/dbraw/zinc/39/84/84/380398484.db2.gz RPMSGUIZTJLAKC-GJBLVYBDSA-N 0 3 283.375 2.029 20 30 CEEDHN C=C(C)Cn1c(CC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000555191369 380813252 /nfs/dbraw/zinc/81/32/52/380813252.db2.gz JJIFYGWLOYHDFB-KGLIPLIRSA-N 0 3 291.443 2.336 20 30 CEEDHN CCC(CC)(CNC(=O)C(C)C#N)NC(=O)OC(C)(C)C ZINC000493138544 380814423 /nfs/dbraw/zinc/81/44/23/380814423.db2.gz KLAKOPQFEANVJC-LLVKDONJSA-N 0 3 297.399 2.346 20 30 CEEDHN C[C@@H]1CCC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000279347354 194394159 /nfs/dbraw/zinc/39/41/59/194394159.db2.gz VHBSVWWJHPMLLM-MWLCHTKSSA-N 0 3 263.366 2.336 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000494009966 381152949 /nfs/dbraw/zinc/15/29/49/381152949.db2.gz SKAIZASQNNECNH-CHWSQXEVSA-N 0 3 266.385 2.245 20 30 CEEDHN N#CCSCCCN(CCO)Cc1cccc(F)c1 ZINC000494252383 381155943 /nfs/dbraw/zinc/15/59/43/381155943.db2.gz XQKURRPMNGQHHB-UHFFFAOYSA-N 0 3 282.384 2.267 20 30 CEEDHN CC(C#N)C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000494382534 381157376 /nfs/dbraw/zinc/15/73/76/381157376.db2.gz RWFIZUPGFQVPFO-UTUOFQBUSA-N 0 3 295.383 2.002 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC2(C)C)CC1 ZINC000494914538 381164360 /nfs/dbraw/zinc/16/43/60/381164360.db2.gz IRSALYNUHFGWMV-AWEZNQCLSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CC[C@H](CO)CN[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000495071121 381166705 /nfs/dbraw/zinc/16/67/05/381166705.db2.gz WUOGLZIMIHCFBF-GXTWGEPZSA-N 0 3 278.400 2.200 20 30 CEEDHN C=CCC[C@@H](O)CN1CCCC[C@H]1COC(=O)N(C)CC ZINC000495643420 381179376 /nfs/dbraw/zinc/17/93/76/381179376.db2.gz ZSUGVBBXUQWONW-LSDHHAIUSA-N 0 3 298.427 2.256 20 30 CEEDHN C=CCC[C@H](O)CN1CCCC[C@H]1COC(=O)NC1CC1 ZINC000495891303 381190390 /nfs/dbraw/zinc/19/03/90/381190390.db2.gz KEEVPGVTNMVKIQ-GJZGRUSLSA-N 0 3 296.411 2.057 20 30 CEEDHN C[C@@H]1C[C@@H](C=Nn2cnnc2)CCN1C(=O)OC(C)(C)C ZINC000497027426 381238325 /nfs/dbraw/zinc/23/83/25/381238325.db2.gz SCGWKMUSLYJHII-NEPJUHHUSA-N 0 3 293.371 2.148 20 30 CEEDHN C=CCOCCNCc1cnn(Cc2ccccc2)c1 ZINC000382084053 542359620 /nfs/dbraw/zinc/35/96/20/542359620.db2.gz WTPVCXSLRQINBN-UHFFFAOYSA-N 0 3 271.364 2.224 20 30 CEEDHN N#Cc1csc(CN2CCC(CCC(N)=O)CC2)c1 ZINC000353802541 220339173 /nfs/dbraw/zinc/33/91/73/220339173.db2.gz BBYAYCCXXMNDOU-UHFFFAOYSA-N 0 3 277.393 2.097 20 30 CEEDHN CC(C#N)C(=O)NCCc1cc(Br)ccc1F ZINC000347040849 533113578 /nfs/dbraw/zinc/11/35/78/533113578.db2.gz RUPTXGKOHRTFRC-QMMMGPOBSA-N 0 3 299.143 2.407 20 30 CEEDHN C[C@@H](NC(=O)C(C)(C)C#N)[C@H](c1ccccc1)N(C)C ZINC000186919289 262116777 /nfs/dbraw/zinc/11/67/77/262116777.db2.gz DLDPDBPYMDRSQI-TZMCWYRMSA-N 0 3 273.380 2.344 20 30 CEEDHN C#CCOc1ccccc1CNCCOCC(F)F ZINC000190899196 533197451 /nfs/dbraw/zinc/19/74/51/533197451.db2.gz DZOPFXNAHKWWSL-UHFFFAOYSA-N 0 3 269.291 2.070 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)NC1(CN(C)C)CCC1 ZINC000281370269 195213884 /nfs/dbraw/zinc/21/38/84/195213884.db2.gz MPWRVMILQDQGQA-UHFFFAOYSA-N 0 3 286.379 2.473 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCCC12CCCC2 ZINC000365311718 262359465 /nfs/dbraw/zinc/35/94/65/262359465.db2.gz DNSGXBAZSOBTPQ-HNNXBMFYSA-N 0 3 277.412 2.449 20 30 CEEDHN COCc1nc(C)c(C(=O)NCC2=CCN(C)CC2)s1 ZINC000329182943 533276835 /nfs/dbraw/zinc/27/68/35/533276835.db2.gz FKSXGKIEURBVKQ-UHFFFAOYSA-N 0 3 295.408 2.164 20 30 CEEDHN C[C@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccc(C#N)cc1 ZINC000417117198 533614109 /nfs/dbraw/zinc/61/41/09/533614109.db2.gz RTXQACDCGRZAJC-UPJWGTAASA-N 0 3 286.379 2.011 20 30 CEEDHN C[C@@H](NCCOCC(F)F)c1ccc(C#N)cc1 ZINC000189832393 130027518 /nfs/dbraw/zinc/02/75/18/130027518.db2.gz XLPLBXJRUKKSOP-SNVBAGLBSA-N 0 3 254.280 2.491 20 30 CEEDHN CCN(CC)[C@@H](CNc1nccnc1C#N)c1ccco1 ZINC000263782476 131330045 /nfs/dbraw/zinc/33/00/45/131330045.db2.gz IRRYXEHFFLETIQ-ZDUSSCGKSA-N 0 3 285.351 2.436 20 30 CEEDHN C[C@@H](NCCc1cccc(C#N)c1)c1cnccn1 ZINC000355675365 394497719 /nfs/dbraw/zinc/49/77/19/394497719.db2.gz RPXGUOABTWWHAF-GFCCVEGCSA-N 0 3 252.321 2.242 20 30 CEEDHN Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1CCN(C)[C@H](C)C1)C2 ZINC000329524372 394569548 /nfs/dbraw/zinc/56/95/48/394569548.db2.gz QKGNWMMOHMALBD-KWCYVHTRSA-N 0 3 290.411 2.193 20 30 CEEDHN O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1snnc1C1CC1 ZINC000329600692 394575321 /nfs/dbraw/zinc/57/53/21/394575321.db2.gz DZQSIERFVXHDJD-MNOVXSKESA-N 0 3 292.408 2.347 20 30 CEEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCC[C@@H]1C1CCC1 ZINC000329708521 394580798 /nfs/dbraw/zinc/58/07/98/394580798.db2.gz LCMXGDPTHADIPR-IUODEOHRSA-N 0 3 288.395 2.446 20 30 CEEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC[C@@H]1C1CCC1 ZINC000329708521 394580799 /nfs/dbraw/zinc/58/07/99/394580799.db2.gz LCMXGDPTHADIPR-IUODEOHRSA-N 0 3 288.395 2.446 20 30 CEEDHN CN(CCOc1cccc(C#N)c1)C[C@@H]1CCCCO1 ZINC000048554491 394517513 /nfs/dbraw/zinc/51/75/13/394517513.db2.gz YHEDFNNXKZCOTI-INIZCTEOSA-N 0 3 274.364 2.438 20 30 CEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ncc(C#N)cc1F ZINC000413286432 394518721 /nfs/dbraw/zinc/51/87/21/394518721.db2.gz YXOUNEKRYOQVFN-DGCLKSJQSA-N 0 3 274.343 2.155 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000329834733 394589347 /nfs/dbraw/zinc/58/93/47/394589347.db2.gz LTRDFRSNBSAIQA-HCKVZZMMSA-N 0 3 288.395 2.269 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NC1CCN(CCCOC)CC1 ZINC000355781372 394530477 /nfs/dbraw/zinc/53/04/77/394530477.db2.gz WWHZUGZDDHAIKP-AWEZNQCLSA-N 0 3 297.443 2.141 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000329877351 394591097 /nfs/dbraw/zinc/59/10/97/394591097.db2.gz JEZMNIMJSCEYOK-NTZNESFSSA-N 0 3 276.384 2.096 20 30 CEEDHN Cc1c(C#N)c(C#N)ccc1NC(=O)C12CCCN1CCC2 ZINC000421551583 394551046 /nfs/dbraw/zinc/55/10/46/394551046.db2.gz AASZNRJZJFARKZ-UHFFFAOYSA-N 0 3 294.358 2.305 20 30 CEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000265947255 394657286 /nfs/dbraw/zinc/65/72/86/394657286.db2.gz KAIZFAGLNZMRKA-JBRJIWJGSA-N 0 3 297.402 2.370 20 30 CEEDHN CC(C)N1CCC[C@H](NC(=O)c2cnn(C)c2C2CC2)C1 ZINC000329952583 394597094 /nfs/dbraw/zinc/59/70/94/394597094.db2.gz MVJOVEZHPLVGFQ-ZDUSSCGKSA-N 0 3 290.411 2.475 20 30 CEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnns1 ZINC000330403768 394605430 /nfs/dbraw/zinc/60/54/30/394605430.db2.gz WMUSGEIHKZIPOH-AXFHLTTASA-N 0 3 282.413 2.209 20 30 CEEDHN CC(C)CNC(=O)NC(=O)CN1CCC[C@@H]1C(C)(C)C ZINC000330624704 394622831 /nfs/dbraw/zinc/62/28/31/394622831.db2.gz RUAKFMXWGMIFDA-GFCCVEGCSA-N 0 3 283.416 2.183 20 30 CEEDHN CCCCNC(=O)NC(=O)CN1[C@H](C)CC[C@H]1CC ZINC000330652590 394624631 /nfs/dbraw/zinc/62/46/31/394624631.db2.gz KTEBIAJYNUYHBL-VXGBXAGGSA-N 0 3 269.389 2.080 20 30 CEEDHN N#Cc1ccc(Cl)cc1N1CCN2CCC[C@@H]2C1 ZINC000083798771 394640827 /nfs/dbraw/zinc/64/08/27/394640827.db2.gz LQAWVGDNRMOXHY-CYBMUJFWSA-N 0 3 261.756 2.496 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000333206407 394642798 /nfs/dbraw/zinc/64/27/98/394642798.db2.gz OQJKYTBPHAZFFB-RHSMWYFYSA-N 0 3 289.423 2.451 20 30 CEEDHN CC(C)N(CC(=O)N[C@@](C)(C#N)C1CC1)C1CCCC1 ZINC000108364803 394730897 /nfs/dbraw/zinc/73/08/97/394730897.db2.gz AJCISXUZTOUYCY-INIZCTEOSA-N 0 3 277.412 2.448 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)c2ccc(CC#N)cc2)CN1C1CC1 ZINC000270396952 394732837 /nfs/dbraw/zinc/73/28/37/394732837.db2.gz UKTDSBALFBLMRN-SWLSCSKDSA-N 0 3 283.375 2.108 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCC[C@@H]2C)CC1 ZINC000358990921 394736426 /nfs/dbraw/zinc/73/64/26/394736426.db2.gz BYOVSVIMYBPPOM-KBPBESRZSA-N 0 3 279.428 2.372 20 30 CEEDHN CCN(CCC#N)C(=O)c1ccccc1OCCN(C)C ZINC000270831510 394739935 /nfs/dbraw/zinc/73/99/35/394739935.db2.gz HSBUBQFMTLPIJM-UHFFFAOYSA-N 0 3 289.379 2.003 20 30 CEEDHN C[C@@H](C1CCC1)N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000357031135 394686416 /nfs/dbraw/zinc/68/64/16/394686416.db2.gz ZBGLSXZNULPRNC-ZDUSSCGKSA-N 0 3 285.391 2.295 20 30 CEEDHN CCN1C[C@H](C)N(c2ccc(C#N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000357452856 394700093 /nfs/dbraw/zinc/70/00/93/394700093.db2.gz JEHJRNKJJNAKRU-RYUDHWBXSA-N 0 3 288.351 2.385 20 30 CEEDHN COC(=O)[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000268972340 394705493 /nfs/dbraw/zinc/70/54/93/394705493.db2.gz MEGDWOQSFKZURJ-CQSZACIVSA-N 0 3 286.375 2.483 20 30 CEEDHN CC(C)(C)C1CN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000414153134 394718330 /nfs/dbraw/zinc/71/83/30/394718330.db2.gz YOYBLHSKGRSSQM-OAHLLOKOSA-N 0 3 288.391 2.276 20 30 CEEDHN C=CCN(C(=O)CC1(N2CCOCC2)CCCC1)C1CC1 ZINC000360353594 394798338 /nfs/dbraw/zinc/79/83/38/394798338.db2.gz HXASDQZBKZVMBK-UHFFFAOYSA-N 0 3 292.423 2.199 20 30 CEEDHN Cc1csc(C(C#N)C(=O)Nc2cccnc2)n1 ZINC000121701674 394803048 /nfs/dbraw/zinc/80/30/48/394803048.db2.gz KGYSEGFKRPEDGK-JTQLQIEISA-N 0 3 258.306 2.092 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC[C@]2(CC[C@H](C)C2)C1 ZINC000360682508 394805357 /nfs/dbraw/zinc/80/53/57/394805357.db2.gz UWWJSTIDGZAYGW-HOCLYGCPSA-N 0 3 277.412 2.261 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)/C=C/c1cccc(C#N)c1 ZINC000122988761 394820765 /nfs/dbraw/zinc/82/07/65/394820765.db2.gz IVHBTZYCVRJQTD-FDMDGMSGSA-N 0 3 283.375 2.172 20 30 CEEDHN C=CCN1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000363481824 394877659 /nfs/dbraw/zinc/87/76/59/394877659.db2.gz LGGLBSACEXXQJP-CQSZACIVSA-N 0 3 250.386 2.287 20 30 CEEDHN C=CCOc1ccccc1CN[C@H](C)CC[S@](C)=O ZINC000125465991 394843075 /nfs/dbraw/zinc/84/30/75/394843075.db2.gz FDWHFNNWOYYXOH-BFUOFWGJSA-N 0 3 281.421 2.498 20 30 CEEDHN C[C@H]1CN(CC#Cc2cccc(Cl)c2)C[C@@H]1CO ZINC000362073752 394843597 /nfs/dbraw/zinc/84/35/97/394843597.db2.gz ZCIUQLVAPCZDFK-GXTWGEPZSA-N 0 3 263.768 2.252 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@](C)(CCC)C1 ZINC000362433639 394861580 /nfs/dbraw/zinc/86/15/80/394861580.db2.gz GLTGEFXKGUMQKW-XJKSGUPXSA-N 0 3 295.427 2.289 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN2CC3(C2)CCCC3)cc1 ZINC000364489380 394910308 /nfs/dbraw/zinc/91/03/08/394910308.db2.gz XNVSUBKSKDAHCA-HNNXBMFYSA-N 0 3 256.349 2.468 20 30 CEEDHN C=CCC[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282497237 394919788 /nfs/dbraw/zinc/91/97/88/394919788.db2.gz QMUABBIDSXZWMJ-HNNXBMFYSA-N 0 3 278.352 2.396 20 30 CEEDHN CC#CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000283064526 394928627 /nfs/dbraw/zinc/92/86/27/394928627.db2.gz CONMRHRAZOKXIE-GDBMZVCRSA-N 0 3 270.376 2.037 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338780576 394928886 /nfs/dbraw/zinc/92/88/86/394928886.db2.gz ZBCLWMMSERTBFQ-VHDGCEQUSA-N 0 3 258.365 2.070 20 30 CEEDHN C=CCOCCN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000338911660 394933637 /nfs/dbraw/zinc/93/36/37/394933637.db2.gz HLYWHUHWFWRBPC-OAHLLOKOSA-N 0 3 294.439 2.160 20 30 CEEDHN CCCCCC(=O)NC1CCN(CCOCCC#N)CC1 ZINC000338941853 394934172 /nfs/dbraw/zinc/93/41/72/394934172.db2.gz DQKWQCKUSNZKCM-UHFFFAOYSA-N 0 3 295.427 2.078 20 30 CEEDHN C=CCNC(=O)CN[C@H](Cc1ccccc1C)C1CC1 ZINC000284249583 394941662 /nfs/dbraw/zinc/94/16/62/394941662.db2.gz ILHZWGCFNPAYDU-MRXNPFEDSA-N 0 3 272.392 2.208 20 30 CEEDHN C=CCOCCN1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000339093814 394942228 /nfs/dbraw/zinc/94/22/28/394942228.db2.gz KCYZATNLQSBKFX-CQSZACIVSA-N 0 3 269.385 2.243 20 30 CEEDHN N#CCCOCCN1CC[C@H](CC(F)(F)F)C1 ZINC000339127524 394945252 /nfs/dbraw/zinc/94/52/52/394945252.db2.gz HFLMNQBDEFERJM-SNVBAGLBSA-N 0 3 250.264 2.191 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@](O)(C(F)(F)F)CC2)C1 ZINC000339193784 394950742 /nfs/dbraw/zinc/95/07/42/394950742.db2.gz KQZUUOUGVVNGQR-IJLUTSLNSA-N 0 3 276.302 2.458 20 30 CEEDHN COC(=O)[C@@H](C)[C@@H](NCCCC#N)c1ccccc1 ZINC000152092032 394987303 /nfs/dbraw/zinc/98/73/03/394987303.db2.gz OKNCTQJMSYDDHI-GXTWGEPZSA-N 0 3 260.337 2.430 20 30 CEEDHN C=CCN(C(=O)Nc1ccc2c(c1)CNC2)C1CC1 ZINC000416023611 394998616 /nfs/dbraw/zinc/99/86/16/394998616.db2.gz ZRDQTOSTUUIDQK-UHFFFAOYSA-N 0 3 257.337 2.472 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000152902000 394998934 /nfs/dbraw/zinc/99/89/34/394998934.db2.gz LOWJVVHPDMLUNQ-ARFHVFGLSA-N 0 3 292.423 2.076 20 30 CEEDHN CC[C@H](c1ccccc1)N(CC)CC(=O)NCC#N ZINC000343037870 395030378 /nfs/dbraw/zinc/03/03/78/395030378.db2.gz OKKBPYOHAKGAFA-CQSZACIVSA-N 0 3 259.353 2.099 20 30 CEEDHN C=CCCOCCCCC(=O)N1CCC[C@H]1CN(C)C ZINC000342828449 395023434 /nfs/dbraw/zinc/02/34/34/395023434.db2.gz DHONGJRKBLPSFM-HNNXBMFYSA-N 0 3 282.428 2.302 20 30 CEEDHN Cc1cccc(C(=O)N(CCC#N)CCC[NH+](C)C)c1[O-] ZINC000137045016 394971273 /nfs/dbraw/zinc/97/12/73/394971273.db2.gz AFSLNZTYSDOBMZ-UHFFFAOYSA-N 0 3 289.379 2.008 20 30 CEEDHN C=C(C)COCCNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416175656 395026446 /nfs/dbraw/zinc/02/64/46/395026446.db2.gz IJACLSBBISSLBD-INIZCTEOSA-N 0 3 290.407 2.388 20 30 CEEDHN C=CCN(CCCNC(C)=O)Cc1cccs1 ZINC000142753918 394973329 /nfs/dbraw/zinc/97/33/29/394973329.db2.gz KJCWEHMRGZHXOU-UHFFFAOYSA-N 0 3 252.383 2.262 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)c2ncc3c(c2C#N)CCC3)CCN1C ZINC000425229069 395053581 /nfs/dbraw/zinc/05/35/81/395053581.db2.gz KXJZUQIXAVHUJJ-OCCSQVGLSA-N 0 3 284.407 2.361 20 30 CEEDHN CC(C)(C#N)CCCCN1CCC[C@@H]1C(=O)NC1CC1 ZINC000373118584 395055328 /nfs/dbraw/zinc/05/53/28/395055328.db2.gz SVEBUKBXRZNNLS-CQSZACIVSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000373186885 395056186 /nfs/dbraw/zinc/05/61/86/395056186.db2.gz RXQMNOZMMMHCDX-RRFJBIMHSA-N 0 3 279.428 2.467 20 30 CEEDHN CN(C)Cc1ccccc1C(=O)NCC1(C#N)CCC1 ZINC000416349044 395056513 /nfs/dbraw/zinc/05/65/13/395056513.db2.gz WXIIBLDYNHHCRC-UHFFFAOYSA-N 0 3 271.364 2.172 20 30 CEEDHN CC(C)NC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000416397647 395059732 /nfs/dbraw/zinc/05/97/32/395059732.db2.gz KMRFJBJFACOTHY-SECBINFHSA-N 0 3 271.242 2.232 20 30 CEEDHN C#CCCNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000373597447 395063548 /nfs/dbraw/zinc/06/35/48/395063548.db2.gz NMAIMXVKEYDEEB-SFHVURJKSA-N 0 3 299.418 2.364 20 30 CEEDHN N#CC[C@H](CC(=O)N1CCN2CCC1CC2)c1ccccc1 ZINC000373599976 395063555 /nfs/dbraw/zinc/06/35/55/395063555.db2.gz ZLGGNBJMPQZIAE-MRXNPFEDSA-N 0 3 297.402 2.381 20 30 CEEDHN C#C[C@H](NCc1cn(C)nc1-c1ccncc1)C(C)C ZINC000289118388 395070550 /nfs/dbraw/zinc/07/05/50/395070550.db2.gz DJONCRPMLFCWOG-HNNXBMFYSA-N 0 3 268.364 2.230 20 30 CEEDHN CCOCCO[C@H]1CCN(CCC(C)(C)C#N)C1 ZINC000345711441 395073151 /nfs/dbraw/zinc/07/31/51/395073151.db2.gz MCDJBUBJLBXCHJ-ZDUSSCGKSA-N 0 3 254.374 2.054 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H]2CCC[C@@H]21 ZINC000426475310 395076794 /nfs/dbraw/zinc/07/67/94/395076794.db2.gz XWFHYYLTHFOZMN-KGLIPLIRSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCOCCCN1CCOC[C@@H]1[C@@H]1CCC[C@H]1OC ZINC000345794214 395077079 /nfs/dbraw/zinc/07/70/79/395077079.db2.gz RCBAMBUJSHMGNW-ARFHVFGLSA-N 0 3 283.412 2.095 20 30 CEEDHN CC[C@@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000345788008 395077395 /nfs/dbraw/zinc/07/73/95/395077395.db2.gz OYTWHTFMTMKWKM-CHWSQXEVSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000345861476 395080750 /nfs/dbraw/zinc/08/07/50/395080750.db2.gz UTXOYMPJNFZWGA-QLFBSQMISA-N 0 3 282.428 2.204 20 30 CEEDHN CCCC(=O)Nc1ccc(CNC(=O)C(C)C#N)cc1 ZINC000345857633 395080836 /nfs/dbraw/zinc/08/08/36/395080836.db2.gz NGZKKBBIVDCXHX-NSHDSACASA-N 0 3 273.336 2.201 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000289600337 395081166 /nfs/dbraw/zinc/08/11/66/395081166.db2.gz CODODHYXUJOXJQ-AAEUAGOBSA-N 0 3 250.298 2.182 20 30 CEEDHN COc1ccc([C@H](O)[C@@H]2CCCN2CCCC#N)cc1 ZINC000374425073 395082470 /nfs/dbraw/zinc/08/24/70/395082470.db2.gz YIRDLPLBUZMCJC-HOTGVXAUSA-N 0 3 274.364 2.497 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cnc([C@@H](C)O)s1 ZINC000289760419 395086709 /nfs/dbraw/zinc/08/67/09/395086709.db2.gz QHQDNRFYTWOIPZ-WZRBSPASSA-N 0 3 282.409 2.267 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(OC(F)F)c(OCC)c1 ZINC000289823053 395088162 /nfs/dbraw/zinc/08/81/62/395088162.db2.gz MFDOLDWXEOCTOW-LLVKDONJSA-N 0 3 287.306 2.323 20 30 CEEDHN C[C@@H](CN(C)C)NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000346225315 395092164 /nfs/dbraw/zinc/09/21/64/395092164.db2.gz OECDTPOWUMLJRP-DZGCQCFKSA-N 0 3 273.380 2.140 20 30 CEEDHN C#Cc1ccc(CNC[C@H]2COC3(CCCC3)O2)cc1 ZINC000290066506 395093223 /nfs/dbraw/zinc/09/32/23/395093223.db2.gz KUDQDRICCNGUFE-INIZCTEOSA-N 0 3 271.360 2.443 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2c(C)noc2C)CC1 ZINC000171716461 395096780 /nfs/dbraw/zinc/09/67/80/395096780.db2.gz GZKIWQSTXAIOTE-NSHDSACASA-N 0 3 291.395 2.162 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416239682 395036077 /nfs/dbraw/zinc/03/60/77/395036077.db2.gz ADAURZYCQLZCSL-OAGGEKHMSA-N 0 3 288.391 2.139 20 30 CEEDHN C=C(C)CN1CCC(Nc2cc(C#N)ccn2)CC1 ZINC000287491653 395042578 /nfs/dbraw/zinc/04/25/78/395042578.db2.gz UFCJOOZWKVPOFS-UHFFFAOYSA-N 0 3 256.353 2.406 20 30 CEEDHN C=CCC[C@H](NC[C@]1(O)CCO[C@H]1C)c1ccco1 ZINC000287502727 395043136 /nfs/dbraw/zinc/04/31/36/395043136.db2.gz NTMJETTWHONSKT-KCQAQPDRSA-N 0 3 265.353 2.416 20 30 CEEDHN CC(C)(NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000346855835 395111308 /nfs/dbraw/zinc/11/13/08/395111308.db2.gz RFJVKOHDQBEXGM-UHFFFAOYSA-N 0 3 271.364 2.074 20 30 CEEDHN C[C@@H](CC#N)N(C)C(=O)CCN1CCc2ccccc2C1 ZINC000348886449 395153503 /nfs/dbraw/zinc/15/35/03/395153503.db2.gz SFLAMUIXGADDHM-AWEZNQCLSA-N 0 3 285.391 2.195 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](CN2CCOC2=O)C1 ZINC000496199992 395153904 /nfs/dbraw/zinc/15/39/04/395153904.db2.gz XHWVKIOKPSGRNE-DZGCQCFKSA-N 0 3 299.374 2.393 20 30 CEEDHN Cc1nc(N(C)C[C@H]2CCCN(C)C2)ccc1C#N ZINC000291807988 395165555 /nfs/dbraw/zinc/16/55/55/395165555.db2.gz FEBXTLVHOZUPBZ-ZDUSSCGKSA-N 0 3 258.369 2.040 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@H](C)[C@@H](O)C1 ZINC000349365394 395167310 /nfs/dbraw/zinc/16/73/10/395167310.db2.gz HONZMVBLMKSHGR-ZFWWWQNUSA-N 0 3 261.365 2.454 20 30 CEEDHN CC(=O)N1CCN(CCCC(C)(C)C#N)C(C)(C)C1 ZINC000182176003 395235293 /nfs/dbraw/zinc/23/52/93/395235293.db2.gz JBWBPAMACWHJCG-UHFFFAOYSA-N 0 3 265.401 2.259 20 30 CEEDHN C=C(C)CCN[C@@](C)(CC(=O)OC)c1ccccn1 ZINC000351826470 395236551 /nfs/dbraw/zinc/23/65/51/395236551.db2.gz KGORNVWNRLMVBC-HNNXBMFYSA-N 0 3 262.353 2.416 20 30 CEEDHN C#CCNC(=O)CCN(CC)Cc1cccc(Cl)c1 ZINC000293512032 395237215 /nfs/dbraw/zinc/23/72/15/395237215.db2.gz OIJAHVMFSPACKO-UHFFFAOYSA-N 0 3 278.783 2.301 20 30 CEEDHN C=C(C)CCN(C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000351855514 395238418 /nfs/dbraw/zinc/23/84/18/395238418.db2.gz GJNOERDKQAPQMV-QWHCGFSZSA-N 0 3 259.415 2.240 20 30 CEEDHN C[C@@H]1CN(C(=O)C#Cc2ccccc2)CCN(C2CCC2)C1 ZINC000293575120 395240247 /nfs/dbraw/zinc/24/02/47/395240247.db2.gz APXRSBNUBOOKDM-INIZCTEOSA-N 0 3 296.414 2.371 20 30 CEEDHN C=CCOCCN(Cc1ccccc1)[C@H](C)CCO ZINC000293737920 395249114 /nfs/dbraw/zinc/24/91/14/395249114.db2.gz HGLXMABTZMSEJW-OAHLLOKOSA-N 0 3 263.381 2.462 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1cccc(C2CC2)c1 ZINC000293861738 395254577 /nfs/dbraw/zinc/25/45/77/395254577.db2.gz UNHAGEICWSKTQR-CYBMUJFWSA-N 0 3 270.376 2.354 20 30 CEEDHN CN1CC[C@@]2(CCN(c3snc(Cl)c3C#N)C2)C1 ZINC000292198945 395188790 /nfs/dbraw/zinc/18/87/90/395188790.db2.gz GPLIGZYDLDYBCF-GFCCVEGCSA-N 0 3 282.800 2.200 20 30 CEEDHN C[C@@H](CNC(=O)c1cscc1C#N)N1CCC(C)CC1 ZINC000433100940 395198484 /nfs/dbraw/zinc/19/84/84/395198484.db2.gz ADRUBRMEKOFOHH-LBPRGKRZSA-N 0 3 291.420 2.470 20 30 CEEDHN CN(C)[C@H](CNC[C@H](C#N)CCC#N)c1ccc(F)cc1 ZINC000519636992 395199702 /nfs/dbraw/zinc/19/97/02/395199702.db2.gz IMRIIKXRCDUHDZ-XJKSGUPXSA-N 0 3 288.370 2.462 20 30 CEEDHN CC(C)[C@@H](O)CN(C)CCOCc1ccc(C#N)cc1 ZINC000433190240 395207207 /nfs/dbraw/zinc/20/72/07/395207207.db2.gz UGZXLBZKYXWGBK-INIZCTEOSA-N 0 3 276.380 2.024 20 30 CEEDHN CCCC[C@H](C)N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000352413867 395251908 /nfs/dbraw/zinc/25/19/08/395251908.db2.gz CFDPTPVPGSOTMI-SWLSCSKDSA-N 0 3 265.401 2.305 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000527475135 395277913 /nfs/dbraw/zinc/27/79/13/395277913.db2.gz BXMVGTQJMIPGOG-WCVJEAGWSA-N 0 3 279.343 2.155 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000411264002 395325506 /nfs/dbraw/zinc/32/55/06/395325506.db2.gz UOGOTPALPFBDAV-ZIAGYGMSSA-N 0 3 263.385 2.013 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@](C)(O)C(C)C)C(C)C ZINC000353312710 395294419 /nfs/dbraw/zinc/29/44/19/395294419.db2.gz KAEITBAZXDKZHO-DOTOQJQBSA-N 0 3 296.455 2.208 20 30 CEEDHN C=CCOCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000354323560 395326595 /nfs/dbraw/zinc/32/65/95/395326595.db2.gz DXAGEGFNQBVDPJ-INIZCTEOSA-N 0 3 288.391 2.142 20 30 CEEDHN CCN1CC[C@H]2OCCN(CC(C)(C)CCC#N)[C@@H]2C1 ZINC000354130305 395317650 /nfs/dbraw/zinc/31/76/50/395317650.db2.gz JHUTYQCMOJNBBJ-HUUCEWRRSA-N 0 3 279.428 2.111 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC23CCCC3)CC1 ZINC000354145538 395317670 /nfs/dbraw/zinc/31/76/70/395317670.db2.gz DFKPIZNNHCTNSR-AWEZNQCLSA-N 0 3 262.397 2.333 20 30 CEEDHN C#CCN(C)CCCNC(=O)C(C)(C)c1cccs1 ZINC000293884958 395256655 /nfs/dbraw/zinc/25/66/55/395256655.db2.gz CZSMPIRNXRUJCD-UHFFFAOYSA-N 0 3 278.421 2.097 20 30 CEEDHN C#CCN(C)CCCNC(=O)CC(C)(C)c1ccccc1 ZINC000294032107 395264279 /nfs/dbraw/zinc/26/42/79/395264279.db2.gz RNHBEKSHBYGACU-UHFFFAOYSA-N 0 3 286.419 2.426 20 30 CEEDHN Cc1ccc(C(=O)NCCN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442719469 395391964 /nfs/dbraw/zinc/39/19/64/395391964.db2.gz PYOZRLSSVQWLAC-UKRRQHHQSA-N 0 3 271.364 2.007 20 30 CEEDHN CC(C)(C)C1=CCN(CCNc2cncc(C#N)n2)CC1 ZINC000420635068 395394008 /nfs/dbraw/zinc/39/40/08/395394008.db2.gz YWSLSVKRVIPRNB-UHFFFAOYSA-N 0 3 285.395 2.438 20 30 CEEDHN N#CC(C(=O)c1ccc(-n2cccn2)cc1)c1ccncn1 ZINC000354403313 395330059 /nfs/dbraw/zinc/33/00/59/395330059.db2.gz GYQQZUZVIKXGIS-CQSZACIVSA-N 0 3 289.298 2.152 20 30 CEEDHN CCN1CCC[C@@H](CN(C)CCC#N)[C@@H]1c1cnn(C)c1 ZINC000411579999 395331737 /nfs/dbraw/zinc/33/17/37/395331737.db2.gz FNILXEUHWXLASJ-GOEBONIOSA-N 0 3 289.427 2.039 20 30 CEEDHN CC(C)[C@](C)(NCCC1(C#N)CCCCC1)C(N)=O ZINC000411729581 395337094 /nfs/dbraw/zinc/33/70/94/395337094.db2.gz WNLHCXAKGGLEBK-AWEZNQCLSA-N 0 3 265.401 2.340 20 30 CEEDHN N#Cc1ccnc(C(=O)NC[C@H]2CCN2C2CCCCC2)c1 ZINC000529719977 395439195 /nfs/dbraw/zinc/43/91/95/395439195.db2.gz YYOVFRLPGOIBMY-OAHLLOKOSA-N 0 3 298.390 2.090 20 30 CEEDHN C[C@@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)[C@@H]1C ZINC000566245740 395507771 /nfs/dbraw/zinc/50/77/71/395507771.db2.gz RCYADTCZGUVJKA-VXGBXAGGSA-N 0 3 269.352 2.221 20 30 CEEDHN CC[C@@H]1C[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000448816721 395541724 /nfs/dbraw/zinc/54/17/24/395541724.db2.gz SUVODURYPHIFIR-IAGOWNOFSA-N 0 3 299.418 2.495 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000448932415 395543779 /nfs/dbraw/zinc/54/37/79/395543779.db2.gz ISQOFFBQFIKYQP-VXGBXAGGSA-N 0 3 288.395 2.188 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CC1(O)CCC1)C(C)C ZINC000448976304 395544572 /nfs/dbraw/zinc/54/45/72/395544572.db2.gz TVLJAEXSNKMRRJ-HNNXBMFYSA-N 0 3 294.439 2.106 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)[C@@H]1CCN(C2CC2)C1 ZINC000447044719 395504112 /nfs/dbraw/zinc/50/41/12/395504112.db2.gz ODWGITYRPCRJAD-MRXNPFEDSA-N 0 3 285.391 2.235 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@H](N3CCCC3)C2)CCOCC1 ZINC000573084017 395599363 /nfs/dbraw/zinc/59/93/63/395599363.db2.gz RMQMSPJDIJZVOD-HNNXBMFYSA-N 0 3 292.423 2.056 20 30 CEEDHN CC[C@@H]1[C@H](CO)CCN1Cc1ccc(C#N)cc1OC ZINC000451256794 395599870 /nfs/dbraw/zinc/59/98/70/395599870.db2.gz PIHPONSSNAFSNV-LSDHHAIUSA-N 0 3 274.364 2.160 20 30 CEEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)nc1 ZINC000573503558 395609883 /nfs/dbraw/zinc/60/98/83/395609883.db2.gz OATHJANIBCPNAM-BRWVUGGUSA-N 0 3 285.391 2.469 20 30 CEEDHN CN1CCN(C(=O)C(C#N)CCc2ccccc2)CC1(C)C ZINC000568217350 395550915 /nfs/dbraw/zinc/55/09/15/395550915.db2.gz OORAWOFETKPPAR-MRXNPFEDSA-N 0 3 299.418 2.312 20 30 CEEDHN CC[C@H](C)N1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000449622400 395557748 /nfs/dbraw/zinc/55/77/48/395557748.db2.gz DWLPFOLMKNFCTC-AWEZNQCLSA-N 0 3 297.406 2.122 20 30 CEEDHN CC1(C)[C@H](NC[C@H](C#N)CCC#N)[C@H]2CCCO[C@@H]21 ZINC000572802417 395587543 /nfs/dbraw/zinc/58/75/43/395587543.db2.gz XDUGPJOMFCQOFK-DGAVXFQQSA-N 0 3 261.369 2.223 20 30 CEEDHN COc1ccc(C#N)cc1NC(=O)NC(C)(C)CN(C)C ZINC000454651824 395629093 /nfs/dbraw/zinc/62/90/93/395629093.db2.gz VQIQELRWVKUVTN-UHFFFAOYSA-N 0 3 290.367 2.029 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)N(C)CC(C)(C)C#N ZINC000457806213 395637149 /nfs/dbraw/zinc/63/71/49/395637149.db2.gz LATNHMYCKWFNOR-ZDUSSCGKSA-N 0 3 282.432 2.154 20 30 CEEDHN Cn1cc(CN2CCc3ccccc3CC2)cc1C#N ZINC000575042882 395644753 /nfs/dbraw/zinc/64/47/53/395644753.db2.gz BRIZZUXWAQAPQP-UHFFFAOYSA-N 0 3 265.360 2.498 20 30 CEEDHN COc1cccc2c1C[C@@H](NCc1ccc(C#N)o1)C2 ZINC000459711066 395666603 /nfs/dbraw/zinc/66/66/03/395666603.db2.gz VJISQQJPHBADKD-LBPRGKRZSA-N 0 3 268.316 2.417 20 30 CEEDHN CC[C@@H]1OCC[C@H]1NCc1ccc(C#N)c(OC)c1 ZINC000459743277 395666684 /nfs/dbraw/zinc/66/66/84/395666684.db2.gz PUXYGCDDYUVBCX-KGLIPLIRSA-N 0 3 260.337 2.224 20 30 CEEDHN Cc1cc(CN2CCN(C)CC2(C)C)ccc1C#N ZINC000488096098 395667961 /nfs/dbraw/zinc/66/79/61/395667961.db2.gz DEJFMFXXXAXLBN-UHFFFAOYSA-N 0 3 257.381 2.393 20 30 CEEDHN COCCN(Cc1ccc(C#N)c(C)c1)[C@@H]1CCO[C@H]1C ZINC000489433642 395668458 /nfs/dbraw/zinc/66/84/58/395668458.db2.gz KLMBJAMQDGSVSA-WMLDXEAASA-N 0 3 288.391 2.493 20 30 CEEDHN CC(C)CN1CCN(C(=O)/C=C\c2cccc(C#N)c2)CC1 ZINC000491094714 395669164 /nfs/dbraw/zinc/66/91/64/395669164.db2.gz XSFXEPCLHJSGFJ-SREVYHEPSA-N 0 3 297.402 2.372 20 30 CEEDHN C=CCC[C@@H](O)CN[C@@H](c1cccnc1)C(C)(C)CO ZINC000647953208 395783187 /nfs/dbraw/zinc/78/31/87/395783187.db2.gz YAYUNKWSVPUEKS-CABCVRRESA-N 0 3 278.396 2.058 20 30 CEEDHN C=CCC1(C(=O)N2CCOC3(CCN(C)CC3)C2)CCC1 ZINC000649130624 396071236 /nfs/dbraw/zinc/07/12/36/396071236.db2.gz OQXQRQMGEZVTKY-UHFFFAOYSA-N 0 3 292.423 2.056 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCCN(Cc2ccccc2)CC1 ZINC000649234466 396098458 /nfs/dbraw/zinc/09/84/58/396098458.db2.gz GMRWCSDUALXOGX-QGZVFWFLSA-N 0 3 274.408 2.131 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@@H](c2ccccc2OC)C1 ZINC000649319492 396120329 /nfs/dbraw/zinc/12/03/29/396120329.db2.gz LGKNZJHSEJPXSB-HIFRSBDPSA-N 0 3 261.365 2.422 20 30 CEEDHN C=CCNC(=O)CN1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000646049259 396277879 /nfs/dbraw/zinc/27/78/79/396277879.db2.gz BMFHFYNQBHXGBA-ZIAGYGMSSA-N 0 3 264.413 2.437 20 30 CEEDHN CCC#C[C@H](C)N1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000646056905 396280234 /nfs/dbraw/zinc/28/02/34/396280234.db2.gz KWRAFIWTTOHTPC-RDJZCZTQSA-N 0 3 284.403 2.427 20 30 CEEDHN C=CCOc1ccccc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000646924446 396392365 /nfs/dbraw/zinc/39/23/65/396392365.db2.gz IIRLWOOZBPJKGF-HIFRSBDPSA-N 0 3 286.375 2.028 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000488933249 400586873 /nfs/dbraw/zinc/58/68/73/400586873.db2.gz AQFFYXBJZKCLCE-ZIAGYGMSSA-N 0 3 275.396 2.229 20 30 CEEDHN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)C(C)C#N ZINC000491715749 400595542 /nfs/dbraw/zinc/59/55/42/400595542.db2.gz FRTHYOXSWBXEOQ-XHDPSFHLSA-N 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/nfs/dbraw/zinc/04/57/78/271045778.db2.gz MRRKXBMZMNOGQW-YPMHNXCESA-N 0 3 289.354 2.216 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2C[C@H]3OCCC[C@H]23)c(F)c1 ZINC000427700228 271237864 /nfs/dbraw/zinc/23/78/64/271237864.db2.gz YZKOGSBXXUOUMK-BPLDGKMQSA-N 0 3 260.312 2.354 20 30 CEEDHN C[C@H](N[C@@H](CO)CC(F)F)c1ccc(C#N)c(F)c1 ZINC000429443997 271332411 /nfs/dbraw/zinc/33/24/11/271332411.db2.gz ARQYKHGBBFWCOG-GZMMTYOYSA-N 0 3 272.270 2.364 20 30 CEEDHN C[C@@H]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000263730927 274304014 /nfs/dbraw/zinc/30/40/14/274304014.db2.gz PVEGKEBPXZHOTD-DOMZBBRYSA-N 0 3 269.348 2.005 20 30 CEEDHN C[C@@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000267850063 274359607 /nfs/dbraw/zinc/35/96/07/274359607.db2.gz WJQSKGBPWFIMKV-IOASZLSFSA-N 0 3 283.375 2.251 20 30 CEEDHN C[C@H](CO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000352808692 274494104 /nfs/dbraw/zinc/49/41/04/274494104.db2.gz CWJYDHPPUBZDHL-MRVPVSSYSA-N 0 3 258.243 2.047 20 30 CEEDHN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000329178197 276152597 /nfs/dbraw/zinc/15/25/97/276152597.db2.gz NKEBLGCTATWWIL-BXUZGUMPSA-N 0 3 276.384 2.098 20 30 CEEDHN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329178197 276152599 /nfs/dbraw/zinc/15/25/99/276152599.db2.gz NKEBLGCTATWWIL-BXUZGUMPSA-N 0 3 276.384 2.098 20 30 CEEDHN CN1CC[C@H]2CCN(c3c(F)cc(C#N)cc3F)C[C@H]21 ZINC000364297621 277178121 /nfs/dbraw/zinc/17/81/21/277178121.db2.gz AOLJSEAYUJBTTI-SMDDNHRTSA-N 0 3 277.318 2.367 20 30 CEEDHN CN1CC[C@H]2CCN(c3ccc(Cl)c(C#N)n3)[C@@H]2C1 ZINC000272168121 277178289 /nfs/dbraw/zinc/17/82/89/277178289.db2.gz HIFYIRITUKJOJP-GXFFZTMASA-N 0 3 276.771 2.137 20 30 CEEDHN CNC(=O)C[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000271520506 277232682 /nfs/dbraw/zinc/23/26/82/277232682.db2.gz QIKYEFMSWVXMIV-NSHDSACASA-N 0 3 298.308 2.171 20 30 CEEDHN COC(=O)[C@@H]1CC[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353594561 277356341 /nfs/dbraw/zinc/35/63/41/277356341.db2.gz HGTQJQLFFQIADB-IIAWOOMASA-N 0 3 284.359 2.477 20 30 CEEDHN C=C(C)CN[C@@H](CN1CCOCC1)c1ccccc1 ZINC000122549113 277777896 /nfs/dbraw/zinc/77/78/96/277777896.db2.gz FSQFQGRXEGNTBF-INIZCTEOSA-N 0 3 260.381 2.226 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000346128075 277833110 /nfs/dbraw/zinc/83/31/10/277833110.db2.gz ITRSCEQJYYKCNQ-KFWWJZLASA-N 0 3 280.412 2.053 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)C12CCCN1CCC2 ZINC000335650610 280759393 /nfs/dbraw/zinc/75/93/93/280759393.db2.gz KRSMLTCSYNMKOM-UHFFFAOYSA-N 0 3 269.348 2.434 20 30 CEEDHN CN(C)[C@H]1CCCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000336246779 289371514 /nfs/dbraw/zinc/37/15/14/289371514.db2.gz YYJPSGMXJXKCDN-BBRMVZONSA-N 0 3 275.396 2.013 20 30 CEEDHN COC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@H]1CCCO1 ZINC000353597183 293162098 /nfs/dbraw/zinc/16/20/98/293162098.db2.gz OTVHQWKOMYEDBS-IXDOHACOSA-N 0 3 286.375 2.329 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000280859453 294026265 /nfs/dbraw/zinc/02/62/65/294026265.db2.gz ZCDJGIPQTABMLF-CYBMUJFWSA-N 0 3 287.363 2.160 20 30 CEEDHN [O-]C(=[NH+][C@H]1CCc2[nH]cnc2C1)N1CC2(C1)CCCCC2 ZINC000329740830 295387674 /nfs/dbraw/zinc/38/76/74/295387674.db2.gz OGESIIWQMMMRSQ-LBPRGKRZSA-N 0 3 288.395 2.447 20 30 CEEDHN [O-]C(=[NH+][C@H]1CCc2nc[nH]c2C1)N1CC2(C1)CCCCC2 ZINC000329740830 295387675 /nfs/dbraw/zinc/38/76/75/295387675.db2.gz OGESIIWQMMMRSQ-LBPRGKRZSA-N 0 3 288.395 2.447 20 30 CEEDHN Cc1nc2n(n1)C[C@H](N[C@H]1CCc3ccc(C#N)cc31)CC2 ZINC000557535284 298571251 /nfs/dbraw/zinc/57/12/51/298571251.db2.gz AUZCCNLAFKDOGT-ZBFHGGJFSA-N 0 3 293.374 2.050 20 30 CEEDHN CO[C@@H]1[C@@H](C)[C@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000558236448 298584014 /nfs/dbraw/zinc/58/40/14/298584014.db2.gz XEMZXHVUUGCGOM-LEWSCRJBSA-N 0 3 259.353 2.102 20 30 CEEDHN N#CC1(C(=O)N2CCC[C@@H](N3CCCC3)C2)CCCC1 ZINC000334166851 327652644 /nfs/dbraw/zinc/65/26/44/327652644.db2.gz AQHVOOQEIPCCHK-CQSZACIVSA-N 0 3 275.396 2.157 20 30 CEEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H](C)C#N)N(C)C ZINC000357860172 328877568 /nfs/dbraw/zinc/87/75/68/328877568.db2.gz HNPWEAFPQWLPLR-IPYPFGDCSA-N 0 3 273.380 2.262 20 30 CEEDHN CN(C)[C@@H](CNc1ccncc1C#N)c1ccc(F)cc1 ZINC000545947673 313498678 /nfs/dbraw/zinc/49/86/78/313498678.db2.gz BMDVDRPPOOGNLB-INIZCTEOSA-N 0 3 284.338 2.229 20 30 CEEDHN CN1C[C@@H]2CCCN(C(=O)Nc3cccc(C#N)c3)[C@@H]2C1 ZINC000576389109 314270297 /nfs/dbraw/zinc/27/02/97/314270297.db2.gz ZKSOKTCSCMINBL-DZGCQCFKSA-N 0 3 284.363 2.116 20 30 CEEDHN C[C@@H]1C[C@@H]1N1C[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)CC1=O ZINC000579652362 314610149 /nfs/dbraw/zinc/61/01/49/314610149.db2.gz ZQNRPHJTVKTVJW-HWHUXHBOSA-N 0 3 295.386 2.144 20 30 CEEDHN CC[C@H](CC(F)(F)F)N[C@@H](C)C(=O)N(C)CCC#N ZINC000354562452 327904712 /nfs/dbraw/zinc/90/47/12/327904712.db2.gz HWPLTKXNCGKEOG-VHSXEESVSA-N 0 3 279.306 2.068 20 30 CEEDHN N#CCC[C@@H](C#N)CNCCc1c[nH]c2ncccc12 ZINC000564784378 327913294 /nfs/dbraw/zinc/91/32/94/327913294.db2.gz AODFFSAROHEZMR-LBPRGKRZSA-N 0 3 267.336 2.139 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)CCc1c(F)cccc1F ZINC000337998135 327964215 /nfs/dbraw/zinc/96/42/15/327964215.db2.gz QSDVLYGLXRIJEH-LLVKDONJSA-N 0 3 282.334 2.178 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)SCCN(C)C ZINC000339742718 328041923 /nfs/dbraw/zinc/04/19/23/328041923.db2.gz MDUREFWPZODGEY-LBPRGKRZSA-N 0 3 258.431 2.094 20 30 CEEDHN CN1CCN(C)c2cc(NC[C@H](C#N)CCC#N)ccc2C1 ZINC000563618403 328077479 /nfs/dbraw/zinc/07/74/79/328077479.db2.gz VJBZOCUIPRRNFT-AWEZNQCLSA-N 0 3 297.406 2.424 20 30 CEEDHN CCOCC(C)(C)NCc1ccc(OCC#N)cc1 ZINC000293413088 328096314 /nfs/dbraw/zinc/09/63/14/328096314.db2.gz ZDPWVAJVYXSSBD-UHFFFAOYSA-N 0 3 262.353 2.494 20 30 CEEDHN CN(C)CCN(CCCCC#N)Cc1ccccn1 ZINC000571534930 328132184 /nfs/dbraw/zinc/13/21/84/328132184.db2.gz IPOXDPBZXCJOOE-UHFFFAOYSA-N 0 3 260.385 2.139 20 30 CEEDHN C=C(C)CN(C)Cc1cc(OC)c2c(c1)OCCO2 ZINC000181046644 329225506 /nfs/dbraw/zinc/22/55/06/329225506.db2.gz VYJPSEDFJCGXTM-UHFFFAOYSA-N 0 3 263.337 2.474 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ncc2c(c1C#N)CCC2 ZINC000580829649 322347048 /nfs/dbraw/zinc/34/70/48/322347048.db2.gz MSPFSCFBFQLDHK-BZNIZROVSA-N 0 3 282.391 2.337 20 30 CEEDHN C[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000580956772 322357763 /nfs/dbraw/zinc/35/77/63/322357763.db2.gz FOAOWAZBBVWBHH-FZMZJTMJSA-N 0 3 289.335 2.371 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCC1=CCOCC1 ZINC000563681684 328394101 /nfs/dbraw/zinc/39/41/01/328394101.db2.gz YDECINGYMUCFMU-INIZCTEOSA-N 0 3 284.359 2.222 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N(CCN(C)C)C(C)C ZINC000341498372 328411025 /nfs/dbraw/zinc/41/10/25/328411025.db2.gz CNAGTPVRELEQFP-CYBMUJFWSA-N 0 3 255.406 2.323 20 30 CEEDHN N#CCC[C@@H](C#N)CNCC[C@@H]1COc2ccccc2O1 ZINC000582156733 328497529 /nfs/dbraw/zinc/49/75/29/328497529.db2.gz WECGDXIKVVYNGH-UONOGXRCSA-N 0 3 285.347 2.250 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2cncs2)CC1 ZINC000282446786 328510379 /nfs/dbraw/zinc/51/03/79/328510379.db2.gz ONOHWSVJYDCRJW-ONEGZZNKSA-N 0 3 291.420 2.313 20 30 CEEDHN C#Cc1ccc(CN2CCC3(CC2)[C@H](OCC)C[C@@H]3O)cc1 ZINC000289988046 328528575 /nfs/dbraw/zinc/52/85/75/328528575.db2.gz KEKYQOFGQPENNX-ZWKOTPCHSA-N 0 3 299.414 2.420 20 30 CEEDHN C#Cc1ccc(CN2CCC3(C[C@@H]3C(=O)OC)CC2)cc1 ZINC000290036063 328528646 /nfs/dbraw/zinc/52/86/46/328528646.db2.gz NSIIDHXMXGJMCK-MRXNPFEDSA-N 0 3 283.371 2.443 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCCOCC)C(C)C ZINC000298684227 326920007 /nfs/dbraw/zinc/92/00/07/326920007.db2.gz ZOEPOKQODZXIGY-OAHLLOKOSA-N 0 3 297.443 2.021 20 30 CEEDHN N#CC1(CCN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)CCCCC1 ZINC000569086618 327033384 /nfs/dbraw/zinc/03/33/84/327033384.db2.gz ZUJUPHFNCWSOIJ-ZNMIVQPWSA-N 0 3 289.423 2.436 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cccs1)c1nnc[n-]1 ZINC000584167304 327054823 /nfs/dbraw/zinc/05/48/23/327054823.db2.gz TWBHKFNHVPKGEA-GMXVVIOVSA-N 0 3 290.392 2.136 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](c1cccs1)c1nnc[nH]1 ZINC000584167304 327054824 /nfs/dbraw/zinc/05/48/24/327054824.db2.gz TWBHKFNHVPKGEA-GMXVVIOVSA-N 0 3 290.392 2.136 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCSC[C@H](C)C1 ZINC000190439576 327128665 /nfs/dbraw/zinc/12/86/65/327128665.db2.gz YBGXJFHJWBNMRY-ZIAGYGMSSA-N 0 3 284.469 2.484 20 30 CEEDHN C[C@@H](C#N)C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000531060436 327236059 /nfs/dbraw/zinc/23/60/59/327236059.db2.gz GCMNCJBQCSTULC-AWEZNQCLSA-N 0 3 271.364 2.275 20 30 CEEDHN CN(C)C[C@H](Cc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000559603253 327255095 /nfs/dbraw/zinc/25/50/95/327255095.db2.gz HHWAIZZKXHAVOT-SJORKVTESA-N 0 3 284.407 2.192 20 30 CEEDHN C=CCCCC[NH2+][C@@H](c1nc(-c2nc[n-]n2)no1)C(C)C ZINC000560239415 327292025 /nfs/dbraw/zinc/29/20/25/327292025.db2.gz JEAURMSSANLEHH-LLVKDONJSA-N 0 3 290.371 2.498 20 30 CEEDHN C=CCCCCN[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000560239415 327292026 /nfs/dbraw/zinc/29/20/26/327292026.db2.gz JEAURMSSANLEHH-LLVKDONJSA-N 0 3 290.371 2.498 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](c2ccccc2)C1 ZINC000120154309 327341012 /nfs/dbraw/zinc/34/10/12/327341012.db2.gz KHVIPEPDXZOIJF-HOCLYGCPSA-N 0 3 285.391 2.236 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCCc1cccs1 ZINC000294095492 327355303 /nfs/dbraw/zinc/35/53/03/327355303.db2.gz XXXSRHKUMOIUCR-UHFFFAOYSA-N 0 3 278.421 2.142 20 30 CEEDHN C#C[C@H](CCC)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000491255876 332175650 /nfs/dbraw/zinc/17/56/50/332175650.db2.gz YMMAQLIEOVPOPI-ZIAGYGMSSA-N 0 3 250.386 2.169 20 30 CEEDHN CC[C@@H](C)N[C@H](CNC(=O)C(C)(C)C#N)c1ccco1 ZINC000359550246 328898421 /nfs/dbraw/zinc/89/84/21/328898421.db2.gz XMZFERSCWWUPGM-VXGBXAGGSA-N 0 3 277.368 2.375 20 30 CEEDHN CC#CCCN1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000375175241 329001316 /nfs/dbraw/zinc/00/13/16/329001316.db2.gz JTHXSLKRVKDQQN-AWEZNQCLSA-N 0 3 271.364 2.146 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NCc2cnc3n2CCCC3)C1 ZINC000375266985 329002205 /nfs/dbraw/zinc/00/22/05/329002205.db2.gz HRONQADYTOPJMK-CHWSQXEVSA-N 0 3 258.369 2.391 20 30 CEEDHN Cc1nc(CO[C@H]2CCN(CCCC#N)C2)cs1 ZINC000375391122 329003254 /nfs/dbraw/zinc/00/32/54/329003254.db2.gz INDXAEBLDXVGOF-ZDUSSCGKSA-N 0 3 265.382 2.346 20 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288.391 2.091 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(Cc2ccccc2C)CC1 ZINC000178031200 329191644 /nfs/dbraw/zinc/19/16/44/329191644.db2.gz XVZZUUPLCXSPEJ-GOSISDBHSA-N 0 3 288.435 2.440 20 30 CEEDHN C=C(C)CN(C)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000181034054 329225257 /nfs/dbraw/zinc/22/52/57/329225257.db2.gz IPMNVMIROXIMJV-UHFFFAOYSA-N 0 3 265.401 2.244 20 30 CEEDHN CC(C)(C#N)CCCN1CCCC[C@@]1(C)C(N)=O ZINC000185887140 329334468 /nfs/dbraw/zinc/33/44/68/329334468.db2.gz QBTIJVNBMCWRLG-AWEZNQCLSA-N 0 3 251.374 2.046 20 30 CEEDHN C=CCC[C@H](CO)NCc1nn(CC)c2ccccc12 ZINC000321526423 329370560 /nfs/dbraw/zinc/37/05/60/329370560.db2.gz YCKUQARHYAWSKT-CYBMUJFWSA-N 0 3 273.380 2.473 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCCC[C@@H]1SCC ZINC000189488959 329381907 /nfs/dbraw/zinc/38/19/07/329381907.db2.gz WKKCBRGXQRXQJV-AVGNSLFASA-N 0 3 270.442 2.331 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)n[nH]1)C(C)C ZINC000128068526 329604498 /nfs/dbraw/zinc/60/44/98/329604498.db2.gz PTKUXECBPKLNLR-HNNXBMFYSA-N 0 3 290.411 2.147 20 30 CEEDHN CC(C)(CC#N)CNC[C@@H](O)COc1ccc(F)cc1 ZINC000572357092 330001091 /nfs/dbraw/zinc/00/10/91/330001091.db2.gz CNITXHSZMSDLSV-CYBMUJFWSA-N 0 3 280.343 2.095 20 30 CEEDHN C#CCN(C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)C1CC1 ZINC000274162878 330103558 /nfs/dbraw/zinc/10/35/58/330103558.db2.gz VFJHXQPBJFTXHV-KRWDZBQOSA-N 0 3 299.418 2.405 20 30 CEEDHN C=CC(C)(C)CNCc1cnc(N2CCCC2)nc1 ZINC000572453023 330104034 /nfs/dbraw/zinc/10/40/34/330104034.db2.gz JMDYEGWWTCWASG-UHFFFAOYSA-N 0 3 260.385 2.379 20 30 CEEDHN CC#CCCN(Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000274117563 330108091 /nfs/dbraw/zinc/10/80/91/330108091.db2.gz XUGQQNGAGRJUCD-UHFFFAOYSA-N 0 3 256.349 2.163 20 30 CEEDHN C[C@@H]1CC[C@H](O)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000422023168 330119480 /nfs/dbraw/zinc/11/94/80/330119480.db2.gz CTGWQBVQPARVMD-BMFZPTHFSA-N 0 3 286.375 2.131 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1cccs1)C1CC1 ZINC000424059795 330218696 /nfs/dbraw/zinc/21/86/96/330218696.db2.gz BVAUEVVJGNZBJT-WCQYABFASA-N 0 3 277.393 2.337 20 30 CEEDHN CCOc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424080027 330221915 /nfs/dbraw/zinc/22/19/15/330221915.db2.gz HIWNPKREXZJXLM-ZDUSSCGKSA-N 0 3 261.325 2.045 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(Cl)s1 ZINC000424094563 330226623 /nfs/dbraw/zinc/22/66/23/330226623.db2.gz LWNNKKVRJDKGRB-SECBINFHSA-N 0 3 271.773 2.039 20 30 CEEDHN CC[C@H](NC(=O)[C@H](N)CCCC#N)c1cccs1 ZINC000424101464 330233471 /nfs/dbraw/zinc/23/34/71/330233471.db2.gz MYPNPFRFBOBDED-MNOVXSKESA-N 0 3 265.382 2.337 20 30 CEEDHN Cc1ccc(C[C@H](C)NC(=O)[C@H](N)CCCC#N)s1 ZINC000424122897 330254912 /nfs/dbraw/zinc/25/49/12/330254912.db2.gz JYNHKUDWEQRSJS-GXFFZTMASA-N 0 3 279.409 2.125 20 30 CEEDHN CC[C@H]1CCCCCN1C(=O)[C@H](N)CCCC#N ZINC000424126505 330259074 /nfs/dbraw/zinc/25/90/74/330259074.db2.gz OUOHRNBTXJEQEM-QWHCGFSZSA-N 0 3 251.374 2.189 20 30 CEEDHN Cc1nc2cc(NC(=O)[C@@H](N)CCCC#N)ccc2o1 ZINC000424130537 330261630 /nfs/dbraw/zinc/26/16/30/330261630.db2.gz FMNVXMVGZCCHSY-NSHDSACASA-N 0 3 272.308 2.096 20 30 CEEDHN CN(C)c1ccc(Cl)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424132905 330265162 /nfs/dbraw/zinc/26/51/62/330265162.db2.gz LFICHIIGWWSVDB-NSHDSACASA-N 0 3 294.786 2.366 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(OCC(F)F)cc1 ZINC000424133709 330266299 /nfs/dbraw/zinc/26/62/99/330266299.db2.gz ZRSXLOLDXVPRGO-LBPRGKRZSA-N 0 3 297.305 2.290 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000424138457 330276542 /nfs/dbraw/zinc/27/65/42/330276542.db2.gz MRUJIEFLQVQLCM-PMPSAXMXSA-N 0 3 285.391 2.460 20 30 CEEDHN CC(C)(CNC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1 ZINC000424147692 330294228 /nfs/dbraw/zinc/29/42/28/330294228.db2.gz YRMQROKDVJPMHY-AWEZNQCLSA-N 0 3 291.370 2.241 20 30 CEEDHN Cc1ccc(C[C@H](C)NC(=O)[C@@H](N)CCCC#N)c(C)c1 ZINC000424147920 330294699 /nfs/dbraw/zinc/29/46/99/330294699.db2.gz YVMFULRCOIHWOD-HOCLYGCPSA-N 0 3 287.407 2.372 20 30 CEEDHN CC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1nc(C)cs1 ZINC000424157068 330304643 /nfs/dbraw/zinc/30/46/43/330304643.db2.gz PAWLMGIHGMDXLB-WDEREUQCSA-N 0 3 280.397 2.040 20 30 CEEDHN CC[C@H](NC(=O)[C@H](N)CCCC#N)c1nc2ccccc2[nH]1 ZINC000424159016 330305813 /nfs/dbraw/zinc/30/58/13/330305813.db2.gz SAEIWSHJARUJRG-NEPJUHHUSA-N 0 3 299.378 2.151 20 30 CEEDHN CC[C@H](c1ccncc1)N(CC)C(=O)[C@H](N)CCCC#N ZINC000424184565 330320178 /nfs/dbraw/zinc/32/01/78/330320178.db2.gz XXGDDHGGKCTROG-HUUCEWRRSA-N 0 3 288.395 2.402 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1c(F)cccc1NC1CC1 ZINC000424185550 330320836 /nfs/dbraw/zinc/32/08/36/330320836.db2.gz FXADFDNVRMXXDW-GFCCVEGCSA-N 0 3 290.342 2.360 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2c[nH]nc2-c2cccnc2)C1 ZINC000424202076 330327006 /nfs/dbraw/zinc/32/70/06/330327006.db2.gz SGGPFZXYSKBMGE-RISCZKNCSA-N 0 3 267.336 2.254 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccncc1F ZINC000424299954 330337004 /nfs/dbraw/zinc/33/70/04/330337004.db2.gz WIYPTGHSDCLLDX-MJVIPROJSA-N 0 3 250.317 2.462 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(C)CCC2CC2)CC1 ZINC000120972892 330393862 /nfs/dbraw/zinc/39/38/62/330393862.db2.gz SPFTWXIYMBARHU-UHFFFAOYSA-N 0 3 279.428 2.468 20 30 CEEDHN CN(C)CCN(C(=O)N[C@@H]1CC[C@H](C#N)C1)C1CCCC1 ZINC000425853603 330497246 /nfs/dbraw/zinc/49/72/46/330497246.db2.gz WFNXENQMWOKVTL-UONOGXRCSA-N 0 3 292.427 2.194 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000448924656 330888441 /nfs/dbraw/zinc/88/84/41/330888441.db2.gz ZFFRJAGZMRKJEC-UKRRQHHQSA-N 0 3 264.413 2.435 20 30 CEEDHN C=C(C)CC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000449472567 330928578 /nfs/dbraw/zinc/92/85/78/330928578.db2.gz FXZRSDQHPKJREO-UHFFFAOYSA-N 0 3 266.297 2.365 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cnc2c(C)cccn12 ZINC000449696612 330944328 /nfs/dbraw/zinc/94/43/28/330944328.db2.gz ILDNIOQUTQKUBK-ZDUSSCGKSA-N 0 3 259.353 2.059 20 30 CEEDHN C=CCN(CCOC)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450835816 331001854 /nfs/dbraw/zinc/00/18/54/331001854.db2.gz HZPQXLCCWYEYFE-GDBMZVCRSA-N 0 3 263.381 2.285 20 30 CEEDHN CC[C@H]1[C@H](CO)CCN1CC#Cc1ccc(F)cc1 ZINC000451251301 331021957 /nfs/dbraw/zinc/02/19/57/331021957.db2.gz FTDLRSQECMOBMT-HOCLYGCPSA-N 0 3 261.340 2.270 20 30 CEEDHN C=CCOCCCN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451283233 331022922 /nfs/dbraw/zinc/02/29/22/331022922.db2.gz NCLXWADZWQMLDI-DLBZAZTESA-N 0 3 293.382 2.379 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(C(=O)OC)sc1C ZINC000451607276 331036507 /nfs/dbraw/zinc/03/65/07/331036507.db2.gz PBYUAMHQTWAOHN-NEPJUHHUSA-N 0 3 281.377 2.276 20 30 CEEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)C[C@H](C)N1CCO ZINC000451667940 331038277 /nfs/dbraw/zinc/03/82/77/331038277.db2.gz VGAVRLHSHHHNEL-GASCZTMLSA-N 0 3 281.444 2.093 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(CC)C1CCCCC1 ZINC000451678028 331038801 /nfs/dbraw/zinc/03/88/01/331038801.db2.gz HEFNRWPMMKFMGS-CVEARBPZSA-N 0 3 294.439 2.491 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452049146 331052171 /nfs/dbraw/zinc/05/21/71/331052171.db2.gz RMTFCVXQAOYISY-OWVAZHOYSA-N 0 3 289.423 2.115 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](COC)CC1 ZINC000452087188 331053687 /nfs/dbraw/zinc/05/36/87/331053687.db2.gz NQCBJSANQDBOLX-HNNXBMFYSA-N 0 3 282.428 2.160 20 30 CEEDHN CCC[C@]1(COC)CCCN1CC(=O)N(CC)CCC#N ZINC000194929150 331079004 /nfs/dbraw/zinc/07/90/04/331079004.db2.gz WMTUJELSSLCOMH-MRXNPFEDSA-N 0 3 295.427 2.030 20 30 CEEDHN C=CC(C)(C)CNC(=O)NCCN1CCC(C)CC1 ZINC000454331487 331144266 /nfs/dbraw/zinc/14/42/66/331144266.db2.gz XSGDCARFLULJMT-UHFFFAOYSA-N 0 3 267.417 2.230 20 30 CEEDHN C=C(C)CCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000455311338 331165496 /nfs/dbraw/zinc/16/54/96/331165496.db2.gz NUOXHEGBJJDSOC-AWEZNQCLSA-N 0 3 265.401 2.222 20 30 CEEDHN C=CCCCCCN(C)C(=O)NC[C@H](C)N(C)C ZINC000455425136 331169586 /nfs/dbraw/zinc/16/95/86/331169586.db2.gz DLAFGWIFJJVUJY-ZDUSSCGKSA-N 0 3 255.406 2.324 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCCN1CC ZINC000457552562 331226724 /nfs/dbraw/zinc/22/67/24/331226724.db2.gz HOGPAMVAMDNATO-ARFHVFGLSA-N 0 3 294.439 2.348 20 30 CEEDHN C[C@@H](C(=O)NCC(C)(C)CC#N)N1CCCCCC1 ZINC000457995653 331240001 /nfs/dbraw/zinc/24/00/01/331240001.db2.gz QTVWPFYXGMXNEJ-ZDUSSCGKSA-N 0 3 265.401 2.307 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)CC#N)CC1 ZINC000458316848 331248409 /nfs/dbraw/zinc/24/84/09/331248409.db2.gz IBEMMQYIQHVSRX-UHFFFAOYSA-N 0 3 292.427 2.266 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)N(C)CC(C)(C)C#N ZINC000458341334 331249467 /nfs/dbraw/zinc/24/94/67/331249467.db2.gz LTKTVRUVGVFATA-KBPBESRZSA-N 0 3 294.443 2.440 20 30 CEEDHN CN(C)C1(CN(C)C(=O)NCC(C)(C)CC#N)CCC1 ZINC000459230266 331272199 /nfs/dbraw/zinc/27/21/99/331272199.db2.gz FRTTVVPGWHCKKA-UHFFFAOYSA-N 0 3 280.416 2.052 20 30 CEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC(C)(C)CC#N ZINC000459262209 331273835 /nfs/dbraw/zinc/27/38/35/331273835.db2.gz UOGZWCLCUIXJIM-ZDUSSCGKSA-N 0 3 294.443 2.298 20 30 CEEDHN CN(C)c1ncc(CNCC(C)(C)CC#N)s1 ZINC000459693547 331294740 /nfs/dbraw/zinc/29/47/40/331294740.db2.gz NDSRNABOUTWYGK-UHFFFAOYSA-N 0 3 252.387 2.239 20 30 CEEDHN OCC1(NCC#Cc2ccc(F)cc2)CCSCC1 ZINC000459687730 331294543 /nfs/dbraw/zinc/29/45/43/331294543.db2.gz BKZJNZYXRXVHBJ-UHFFFAOYSA-N 0 3 279.380 2.025 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1C[C@H](OC)C12CCC2 ZINC000459748062 331298075 /nfs/dbraw/zinc/29/80/75/331298075.db2.gz GGYJXUVIMQTGGI-KKUMJFAQSA-N 0 3 294.439 2.347 20 30 CEEDHN C#CCN(C(=S)NC[C@@H]1CCCN1CC)C1CCCC1 ZINC000490832091 332118828 /nfs/dbraw/zinc/11/88/28/332118828.db2.gz ZUNPKKHOBNPQPF-HNNXBMFYSA-N 0 3 293.480 2.223 20 30 CEEDHN C#CCN(Cc1cnn(CCOC)c1)C1CCCCC1 ZINC000490897472 332126919 /nfs/dbraw/zinc/12/69/19/332126919.db2.gz BUFSUTUSSFOCAK-UHFFFAOYSA-N 0 3 275.396 2.297 20 30 CEEDHN C#CCNC(=O)CCNC1(c2ccc(F)cc2)CCCC1 ZINC000491068793 332145462 /nfs/dbraw/zinc/14/54/62/332145462.db2.gz REVVQVIGGLAWML-UHFFFAOYSA-N 0 3 288.366 2.324 20 30 CEEDHN C#CCNC(=O)CCN[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000491119294 332151620 /nfs/dbraw/zinc/15/16/20/332151620.db2.gz HZYZYPDGRIKHSK-BLLLJJGKSA-N 0 3 290.794 2.304 20 30 CEEDHN C#CCNC(=O)CCN[C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000491119298 332151787 /nfs/dbraw/zinc/15/17/87/332151787.db2.gz HZYZYPDGRIKHSK-WBMJQRKESA-N 0 3 290.794 2.304 20 30 CEEDHN C#CCNC(=O)CCNC1(c2ccc(Cl)cc2)CC1 ZINC000491121758 332152517 /nfs/dbraw/zinc/15/25/17/332152517.db2.gz SHMSZKLSEIPSLP-UHFFFAOYSA-N 0 3 276.767 2.058 20 30 CEEDHN C#C[C@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1F ZINC000491220106 332168393 /nfs/dbraw/zinc/16/83/93/332168393.db2.gz KIHIMMRDIAVDIP-UFBFGSQYSA-N 0 3 264.687 2.429 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000491287266 332181498 /nfs/dbraw/zinc/18/14/98/332181498.db2.gz LMWTYURMSBVUKE-AWEZNQCLSA-N 0 3 270.376 2.376 20 30 CEEDHN C=CC[C@@H](CO)NCc1cnc(-c2ccccc2OC)nc1 ZINC000491377459 332200610 /nfs/dbraw/zinc/20/06/10/332200610.db2.gz YEIZINJXGUTZTD-AWEZNQCLSA-N 0 3 299.374 2.179 20 30 CEEDHN C#C[C@@H](NCCC(=O)Nc1cccc(F)c1)C(C)C ZINC000491526083 332230581 /nfs/dbraw/zinc/23/05/81/332230581.db2.gz WZFSDIQIYIYNOA-CQSZACIVSA-N 0 3 262.328 2.402 20 30 CEEDHN C#CCN(C(=O)NCC(C)(C)N1CCCCC1)C1CC1 ZINC000491660512 332270907 /nfs/dbraw/zinc/27/09/07/332270907.db2.gz JWBFDHXOWBKXNO-UHFFFAOYSA-N 0 3 277.412 2.058 20 30 CEEDHN C#CCN(C(=O)CCN1CCc2ccccc2C1)C1CC1 ZINC000491693438 332289897 /nfs/dbraw/zinc/28/98/97/332289897.db2.gz KUPQLEPAXCWTKE-UHFFFAOYSA-N 0 3 282.387 2.059 20 30 CEEDHN C#C[C@@H](CC)NCc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000491698554 332293612 /nfs/dbraw/zinc/29/36/12/332293612.db2.gz CRNMFFYETAGZCH-AWEZNQCLSA-N 0 3 297.358 2.349 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)C(CC)CC ZINC000491714019 332304766 /nfs/dbraw/zinc/30/47/66/332304766.db2.gz LPHDRPHXORNFDA-ZDUSSCGKSA-N 0 3 252.402 2.130 20 30 CEEDHN C#C[C@H](CC)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000491733940 332314838 /nfs/dbraw/zinc/31/48/38/332314838.db2.gz RWKHLSRONVPFIR-MRXNPFEDSA-N 0 3 270.376 2.424 20 30 CEEDHN C#CCNC(=O)CCN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000491739444 332318807 /nfs/dbraw/zinc/31/88/07/332318807.db2.gz UEJYYHGQLZXLNH-LLVKDONJSA-N 0 3 290.329 2.036 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1sccc1C1CC1 ZINC000491743723 332321883 /nfs/dbraw/zinc/32/18/83/332321883.db2.gz KXROLVANYCEMFN-UHFFFAOYSA-N 0 3 276.405 2.310 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000491743921 332322021 /nfs/dbraw/zinc/32/20/21/332322021.db2.gz IEPLXAPHXAXVIH-ZMSDIMECSA-N 0 3 299.418 2.313 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1coc2c1cccc2C ZINC000491747873 332325195 /nfs/dbraw/zinc/32/51/95/332325195.db2.gz CZWPFZCBPHTHIJ-UHFFFAOYSA-N 0 3 284.359 2.426 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000491764754 332333337 /nfs/dbraw/zinc/33/33/37/332333337.db2.gz DFJYZGZUFRVLSD-XHSDSOJGSA-N 0 3 291.439 2.162 20 30 CEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)CN1CC[C@H](C)C1 ZINC000491766202 332334352 /nfs/dbraw/zinc/33/43/52/332334352.db2.gz GPQLGQAWQUDACD-AWEZNQCLSA-N 0 3 288.366 2.129 20 30 CEEDHN C#C[C@@H](NC(=O)NC[C@H](C)N(C)C)c1ccc(Cl)cc1 ZINC000491785616 332348307 /nfs/dbraw/zinc/34/83/07/332348307.db2.gz SMOLWIYNVRAEJO-SMDDNHRTSA-N 0 3 293.798 2.264 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cnc2ccccc2c1C ZINC000491791719 332352601 /nfs/dbraw/zinc/35/26/01/332352601.db2.gz BAILQTASOWOATF-UHFFFAOYSA-N 0 3 295.386 2.228 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1coc2ccccc12 ZINC000491819346 332369154 /nfs/dbraw/zinc/36/91/54/332369154.db2.gz NIXZLHCIXBRPME-UHFFFAOYSA-N 0 3 284.359 2.047 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)/C=C\C2CCOCC2)CC1 ZINC000491840056 332371576 /nfs/dbraw/zinc/37/15/76/332371576.db2.gz BAWVSILKXCNNRS-ARJAWSKDSA-N 0 3 292.423 2.126 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2C=C)CC1 ZINC000494869671 332488952 /nfs/dbraw/zinc/48/89/52/332488952.db2.gz FAVNNEBBLBQINS-HNNXBMFYSA-N 0 3 277.412 2.387 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000494911336 332490736 /nfs/dbraw/zinc/49/07/36/332490736.db2.gz SVMLPCFNNMGQNM-QDMKHBRRSA-N 0 3 277.412 2.125 20 30 CEEDHN C=CCCCCCN(C)CC(=O)NC(=O)NC1CCCC1 ZINC000172654922 335115632 /nfs/dbraw/zinc/11/56/32/335115632.db2.gz WCXOWBWWLRZTOD-UHFFFAOYSA-N 0 3 295.427 2.433 20 30 CEEDHN C#CCN(CCOCCOC)[C@@H]1CCc2ccccc21 ZINC000175583602 333026922 /nfs/dbraw/zinc/02/69/22/333026922.db2.gz ONKUYZHNLKMNMS-QGZVFWFLSA-N 0 3 273.376 2.272 20 30 CEEDHN C#C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1)C(C)C ZINC000311287817 333066708 /nfs/dbraw/zinc/06/67/08/333066708.db2.gz NFBHJQNIRBDFHY-UKRRQHHQSA-N 0 3 281.783 2.327 20 30 CEEDHN CC(C)c1[nH]ccc1C(=O)C(C#N)c1ccncn1 ZINC000521883817 333195507 /nfs/dbraw/zinc/19/55/07/333195507.db2.gz MWDDDYYJELFIPF-NSHDSACASA-N 0 3 254.293 2.418 20 30 CEEDHN C=CCSCCNC(=O)N[C@H](C)CN1CCCCC1 ZINC000194628000 333273714 /nfs/dbraw/zinc/27/37/14/333273714.db2.gz JAFFNEAWWAWFHD-CYBMUJFWSA-N 0 3 285.457 2.079 20 30 CEEDHN C#C[C@@H](CC)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000229875433 333310465 /nfs/dbraw/zinc/31/04/65/333310465.db2.gz VBMSINIMUMEPBK-STQMWFEESA-N 0 3 266.385 2.387 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(CC#N)CC1 ZINC000541023014 333759666 /nfs/dbraw/zinc/75/96/66/333759666.db2.gz PUSOVUWBWJRRCL-AWEZNQCLSA-N 0 3 277.412 2.425 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000130168043 333820661 /nfs/dbraw/zinc/82/06/61/333820661.db2.gz DGGOVMJSVWXNDD-CQSZACIVSA-N 0 3 250.386 2.307 20 30 CEEDHN N#CC(C(=O)c1cccc([C@H]2CCOC2)c1)c1ccncn1 ZINC000546859794 334052049 /nfs/dbraw/zinc/05/20/49/334052049.db2.gz UWLJHNIVYHWVCK-GJZGRUSLSA-N 0 3 293.326 2.471 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@H](C)C1(C)CC1 ZINC000246111056 334233748 /nfs/dbraw/zinc/23/37/48/334233748.db2.gz JUWJRFRZRYQDTD-QWHCGFSZSA-N 0 3 265.401 2.115 20 30 CEEDHN C=CCN(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000249140785 334328725 /nfs/dbraw/zinc/32/87/25/334328725.db2.gz JNGNFRZQQPDHCY-HUUCEWRRSA-N 0 3 273.380 2.259 20 30 CEEDHN C=C(C)CN1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000153872612 334681670 /nfs/dbraw/zinc/68/16/70/334681670.db2.gz DNZUVBFKBQQOJM-CYBMUJFWSA-N 0 3 252.402 2.435 20 30 CEEDHN CC[C@@H](CNc1ccccc1)NC(=O)[C@H](N)CCCC#N ZINC000577749731 335396950 /nfs/dbraw/zinc/39/69/50/335396950.db2.gz QRWURWDLURNIKI-DZGCQCFKSA-N 0 3 288.395 2.014 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000367530443 335929653 /nfs/dbraw/zinc/92/96/53/335929653.db2.gz DVWWQJOQFMVCSL-GOEBONIOSA-N 0 3 277.412 2.403 20 30 CEEDHN CCN(CCC#N)C(=O)CN(C)[C@@H]1CCCC[C@@H]1C ZINC000194143925 336004980 /nfs/dbraw/zinc/00/49/80/336004980.db2.gz WECNDBYACDMMJK-UONOGXRCSA-N 0 3 265.401 2.259 20 30 CEEDHN N#CC1(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)CCC1 ZINC000581198823 336023630 /nfs/dbraw/zinc/02/36/30/336023630.db2.gz ABHBAXBTKMKMJG-OAHLLOKOSA-N 0 3 283.375 2.071 20 30 CEEDHN COc1ccccc1C1(CNC(=O)C(C)C#N)CC1 ZINC000347132718 533995503 /nfs/dbraw/zinc/99/55/03/533995503.db2.gz JSBQGVYUDGROSA-NSHDSACASA-N 0 3 258.321 2.003 20 30 CEEDHN COc1ccccc1CC(C)(C)NC(=O)C(C)C#N ZINC000353782119 534017603 /nfs/dbraw/zinc/01/76/03/534017603.db2.gz ZOIADJCNJBTJJR-NSHDSACASA-N 0 3 260.337 2.292 20 30 CEEDHN Cc1cc(=O)[nH]cc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329343884 534021084 /nfs/dbraw/zinc/02/10/84/534021084.db2.gz QIRTXORCBIKZNP-NSHDSACASA-N 0 3 275.352 2.051 20 30 CEEDHN C[C@H]1OCC[C@H]1NCC(=O)NC1CCC(C)CC1 ZINC000330228353 534127299 /nfs/dbraw/zinc/12/72/99/534127299.db2.gz CLEJIPQPNZFFEF-POOIEITISA-N 0 3 254.374 2.289 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000347091987 534282608 /nfs/dbraw/zinc/28/26/08/534282608.db2.gz TWDMKTGZUZQRIQ-GRYCIOLGSA-N 0 3 252.358 2.104 20 30 CEEDHN COC(=O)c1csc([C@@H](C)NCCCC#N)c1 ZINC000353668754 534336984 /nfs/dbraw/zinc/33/69/84/534336984.db2.gz AKMZVXZBSVGMNH-SECBINFHSA-N 0 3 252.339 2.489 20 30 CEEDHN C=CCC[C@@H](O)CN[C@@H](CCO)c1ccc(OC)cc1 ZINC000182404004 518720756 /nfs/dbraw/zinc/72/07/56/518720756.db2.gz AAEFRDBIDLWQLI-ZBFHGGJFSA-N 0 3 279.380 2.035 20 30 CEEDHN C=CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000054717919 518910856 /nfs/dbraw/zinc/91/08/56/518910856.db2.gz UYFVJJVZUWIDOE-HIFRSBDPSA-N 0 3 273.380 2.307 20 30 CEEDHN CCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C(C)C ZINC000067653778 520344799 /nfs/dbraw/zinc/34/47/99/520344799.db2.gz OKNPHIZTLWBXGS-ZFWWWQNUSA-N 0 3 267.417 2.407 20 30 CEEDHN Cc1sc(CNC(=O)C(C)C#N)nc1C(C)C ZINC000347110219 534605004 /nfs/dbraw/zinc/60/50/04/534605004.db2.gz QMTFKHUUYZBTPN-MRVPVSSYSA-N 0 3 251.355 2.351 20 30 CEEDHN Cc1cccc(OC[C@H](O)CNCc2cccc(C#N)c2)c1 ZINC000048367670 524763990 /nfs/dbraw/zinc/76/39/90/524763990.db2.gz FOJIXOVNNURWMD-QGZVFWFLSA-N 0 3 296.370 2.396 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CC[C@@H]2C)CC1 ZINC000344742682 526595664 /nfs/dbraw/zinc/59/56/64/526595664.db2.gz QSBBTCMITAJNGQ-JSGCOSHPSA-N 0 3 265.401 2.125 20 30 CEEDHN C=CCOCCCN1CC[C@@H](Oc2ccncc2)C1 ZINC000347089994 526757275 /nfs/dbraw/zinc/75/72/75/526757275.db2.gz PDMGPWPZVCSCIN-OAHLLOKOSA-N 0 3 262.353 2.127 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N1CCCN(CC)CC1 ZINC000366997523 527040637 /nfs/dbraw/zinc/04/06/37/527040637.db2.gz NJTICTVROYYFCN-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCCCCNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000353354858 527147188 /nfs/dbraw/zinc/14/71/88/527147188.db2.gz QJXKAMQEFBLFAB-CQSZACIVSA-N 0 3 267.417 2.326 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000366995005 527150015 /nfs/dbraw/zinc/15/00/15/527150015.db2.gz DRVPSEKXYCXCDR-KBPBESRZSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCn1cccc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000347289691 527386208 /nfs/dbraw/zinc/38/62/08/527386208.db2.gz LQVIXSOZQZUGNL-OAHLLOKOSA-N 0 3 287.407 2.421 20 30 CEEDHN CCO[C@@H]1COCC[C@H]1N[C@H](C)c1cccc(C#N)c1 ZINC000354981816 527777249 /nfs/dbraw/zinc/77/72/49/527777249.db2.gz LHAWWBYFMNYCSP-DAXOMENPSA-N 0 3 274.364 2.403 20 30 CEEDHN CCOc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354466656 528408099 /nfs/dbraw/zinc/40/80/99/528408099.db2.gz NCJCQDSHFSTKPE-ZDUSSCGKSA-N 0 3 267.288 2.365 20 30 CEEDHN CC(C)C[C@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000404099105 528548709 /nfs/dbraw/zinc/54/87/09/528548709.db2.gz DOVQGGZVWLDPPN-CYBMUJFWSA-N 0 3 250.317 2.194 20 30 CEEDHN CCN(CCO)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356048282 528554993 /nfs/dbraw/zinc/55/49/93/528554993.db2.gz BYMNHBMGURVGFE-UHFFFAOYSA-N 0 3 272.270 2.391 20 30 CEEDHN CCN1CCC(NC(=O)Cn2cc3ccccc3n2)CC1 ZINC000330036642 528957910 /nfs/dbraw/zinc/95/79/10/528957910.db2.gz CQWGBOBVPWTLEA-UHFFFAOYSA-N 0 3 286.379 2.477 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000329213889 529059700 /nfs/dbraw/zinc/05/97/00/529059700.db2.gz KETVCWFTABXTJT-REWJHTLYSA-N 0 3 297.443 2.034 20 30 CEEDHN CCN1CCC[C@H](NC(=O)NC[C@H]2CCO[C@@H]2C(C)C)C1 ZINC000330326693 529086232 /nfs/dbraw/zinc/08/62/32/529086232.db2.gz KHBULSOTKGIOLY-QLFBSQMISA-N 0 3 297.443 2.035 20 30 CEEDHN CC[C@@H](NCCCS(=O)(=O)CC)c1ccc(C#N)cc1 ZINC000414337842 529162360 /nfs/dbraw/zinc/16/23/60/529162360.db2.gz JRZFFXNLNJXUSU-OAHLLOKOSA-N 0 3 294.420 2.424 20 30 CEEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H](O)CC ZINC000403977990 529182262 /nfs/dbraw/zinc/18/22/62/529182262.db2.gz AFFNHUNLLNLAFG-KGLIPLIRSA-N 0 3 250.317 2.336 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@]2(O)CCCC(C)(C)C2)CC1 ZINC000668370002 538894018 /nfs/dbraw/zinc/89/40/18/538894018.db2.gz KNBJHFYNFMTEJK-KRWDZBQOSA-N 0 3 294.439 2.084 20 30 CEEDHN C#Cc1cccc(NC(=S)NC2CCN(CC)CC2)c1 ZINC000726449416 574426450 /nfs/dbraw/zinc/42/64/50/574426450.db2.gz OGXVGJSRKFGUOM-UHFFFAOYSA-N 0 3 287.432 2.439 20 30 CEEDHN C#Cc1cccc(NC(=S)N[C@@H]2CCN(C3CC3)C2)c1 ZINC000726480848 574426812 /nfs/dbraw/zinc/42/68/12/574426812.db2.gz MMDQQOBCEAFQEH-CQSZACIVSA-N 0 3 285.416 2.191 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)nc1 ZINC000728860255 574472690 /nfs/dbraw/zinc/47/26/90/574472690.db2.gz CATNXMRUPLUBNL-SOUVJXGZSA-N 0 3 299.418 2.159 20 30 CEEDHN CCN(CC#N)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000728917361 574473663 /nfs/dbraw/zinc/47/36/63/574473663.db2.gz ALFBHENPGAYCNH-LLVKDONJSA-N 0 3 298.371 2.318 20 30 CEEDHN CCO[C@@H](C)C(=O)C(C#N)c1nc2ccccc2n1C ZINC000729067924 574477676 /nfs/dbraw/zinc/47/76/76/574477676.db2.gz TVXVWFLGPGPOKC-WDEREUQCSA-N 0 3 271.320 2.175 20 30 CEEDHN CCO[C@H](C)C(=O)C(C#N)c1nc2ccccc2n1C ZINC000729067921 574477764 /nfs/dbraw/zinc/47/77/64/574477764.db2.gz TVXVWFLGPGPOKC-MNOVXSKESA-N 0 3 271.320 2.175 20 30 CEEDHN C=CCOc1ccc(CN[C@H]2CCN(C)C2)cc1OC ZINC000729682551 574490815 /nfs/dbraw/zinc/49/08/15/574490815.db2.gz UOSIPYBWWLPFNE-AWEZNQCLSA-N 0 3 276.380 2.054 20 30 CEEDHN C=C(C)CNC(=S)NC1CCN(CC(=C)C)CC1 ZINC000729942086 574496962 /nfs/dbraw/zinc/49/69/62/574496962.db2.gz IPJUSHUCARZBSI-UHFFFAOYSA-N 0 3 267.442 2.067 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H]1CS[C@H](C(C)(C)C)C1 ZINC000754144646 574525444 /nfs/dbraw/zinc/52/54/44/574525444.db2.gz QTSTWMSXYYLEDT-NEPJUHHUSA-N 0 3 291.482 2.097 20 30 CEEDHN CC(C)(C)[C@@H](O)CN1CCN(c2ccc(C#N)cc2)CC1 ZINC000732042209 574610623 /nfs/dbraw/zinc/61/06/23/574610623.db2.gz MNJAQGNSWBVWDL-INIZCTEOSA-N 0 3 287.407 2.087 20 30 CEEDHN C[C@@H]1CC(=Nn2cnnc2)CCN1Cc1ccccc1 ZINC000734295089 574707068 /nfs/dbraw/zinc/70/70/68/574707068.db2.gz ACWNCWYWZQGSBZ-CYBMUJFWSA-N 0 3 269.352 2.167 20 30 CEEDHN C=CC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000735410156 574755022 /nfs/dbraw/zinc/75/50/22/574755022.db2.gz VUOGYGADWCCRJY-UHFFFAOYSA-N 0 3 269.352 2.265 20 30 CEEDHN C=CC1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000735410156 574755024 /nfs/dbraw/zinc/75/50/24/574755024.db2.gz VUOGYGADWCCRJY-UHFFFAOYSA-N 0 3 269.352 2.265 20 30 CEEDHN C=CC1CC[NH+](CCOc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735410141 574755312 /nfs/dbraw/zinc/75/53/12/574755312.db2.gz VHAQUCGWIPCNFY-UHFFFAOYSA-N 0 3 299.378 2.144 20 30 CEEDHN C#CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1 ZINC000741562310 574991270 /nfs/dbraw/zinc/99/12/70/574991270.db2.gz GGDJQBMIBOJEIX-MRXNPFEDSA-N 0 3 298.386 2.007 20 30 CEEDHN C#CCOc1ccccc1CNCCN1CCC[C@@H]1C ZINC000742386982 575019063 /nfs/dbraw/zinc/01/90/63/575019063.db2.gz NRQBJYYNWUVLDO-HNNXBMFYSA-N 0 3 272.392 2.273 20 30 CEEDHN C[C@H]1CCCN1CCNc1c(C#N)nnc2ccccc21 ZINC000742424964 575021212 /nfs/dbraw/zinc/02/12/12/575021212.db2.gz IAECKKOPAQEAOP-LBPRGKRZSA-N 0 3 281.363 2.398 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000744032551 575112336 /nfs/dbraw/zinc/11/23/36/575112336.db2.gz GRXZGCDRQOMOLG-DDUZABMNSA-N 0 3 296.370 2.124 20 30 CEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1Cc2ccccc21 ZINC000744038994 575112825 /nfs/dbraw/zinc/11/28/25/575112825.db2.gz GBQXAXXOKYSIRA-ZIAGYGMSSA-N 0 3 291.310 2.069 20 30 CEEDHN C#CCCN1CCC(NC(=O)C2C(C)(C)C2(C)C)CC1 ZINC000746412832 575155912 /nfs/dbraw/zinc/15/59/12/575155912.db2.gz SDWMAGUVMHBDSG-UHFFFAOYSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C(/C)CCC)CC1 ZINC000747405106 575170217 /nfs/dbraw/zinc/17/02/17/575170217.db2.gz UNNYAPDVKCIBPC-YPKPFQOOSA-N 0 3 262.397 2.337 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000748385769 575185356 /nfs/dbraw/zinc/18/53/56/575185356.db2.gz IERARVVGSMNTJZ-RGNHYFCHSA-N 0 3 284.718 2.177 20 30 CEEDHN C1CC[C@@H](N2CCCCCC2)C(=NN2CCOCC2)C1 ZINC000749806847 575234985 /nfs/dbraw/zinc/23/49/85/575234985.db2.gz HDXJGKKVZABWIH-MRXNPFEDSA-N 0 3 279.428 2.493 20 30 CEEDHN C#CCOCCN[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000753762879 575340577 /nfs/dbraw/zinc/34/05/77/575340577.db2.gz ZVUAOLFVQQEHGW-AWEZNQCLSA-N 0 3 286.375 2.114 20 30 CEEDHN CC(C)(CCC#N)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000819975982 599402290 /nfs/dbraw/zinc/40/22/90/599402290.db2.gz GVPHUTOJHNMIBV-UHFFFAOYSA-N 0 3 284.367 2.286 20 30 CEEDHN CC(C)(CCC#N)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000819975982 599402291 /nfs/dbraw/zinc/40/22/91/599402291.db2.gz GVPHUTOJHNMIBV-UHFFFAOYSA-N 0 3 284.367 2.286 20 30 CEEDHN C=CC[C@@H](C)N1CCN(c2cnccc2C#N)CC1 ZINC000878641267 651148324 /nfs/dbraw/zinc/14/83/24/651148324.db2.gz BCMDGYUCCBLBFX-CYBMUJFWSA-N 0 3 256.353 2.040 20 30 CEEDHN CCCCCCCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000875764837 649953556 /nfs/dbraw/zinc/95/35/56/649953556.db2.gz SHAFQWJPYPQBMK-OAHLLOKOSA-N 0 3 299.459 2.103 20 30 CEEDHN C=C(C)COCC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819722168 606778035 /nfs/dbraw/zinc/77/80/35/606778035.db2.gz AJTXOIKZTCFCDP-GFCCVEGCSA-N 0 3 287.367 2.110 20 30 CEEDHN C=C(C)COCC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819722168 606778037 /nfs/dbraw/zinc/77/80/37/606778037.db2.gz AJTXOIKZTCFCDP-GFCCVEGCSA-N 0 3 287.367 2.110 20 30 CEEDHN C=C[C@@H](C)[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823882745 608517792 /nfs/dbraw/zinc/51/77/92/608517792.db2.gz CVHYMPKJCZIYKT-QMTHXVAHSA-N 0 3 269.352 2.408 20 30 CEEDHN C=C[C@@H](C)[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823882745 608517795 /nfs/dbraw/zinc/51/77/95/608517795.db2.gz CVHYMPKJCZIYKT-QMTHXVAHSA-N 0 3 269.352 2.408 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC000970882731 612961350 /nfs/dbraw/zinc/96/13/50/612961350.db2.gz CLXHDJLAMMQFCU-LSDHHAIUSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](CC)CC2CCCC2)C1 ZINC000970165763 612963314 /nfs/dbraw/zinc/96/33/14/612963314.db2.gz VXINFWFSQKQVNI-HZPDHXFCSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2coc3ccc(CC)cc23)C1 ZINC000968683527 612967836 /nfs/dbraw/zinc/96/78/36/612967836.db2.gz PCMAMKPWZWWUQZ-CQSZACIVSA-N 0 3 296.370 2.433 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000970761594 612994148 /nfs/dbraw/zinc/99/41/48/612994148.db2.gz WZWAFEVURBYVMT-FHLIZLRMSA-N 0 3 296.414 2.250 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc[nH]c2C(C)C)C1 ZINC000970314296 612995006 /nfs/dbraw/zinc/99/50/06/612995006.db2.gz XHQYNSPXAWSGSR-CYBMUJFWSA-N 0 3 287.407 2.212 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cscc2C)C1 ZINC000969453110 612996323 /nfs/dbraw/zinc/99/63/23/612996323.db2.gz SWHFEWGRRSNWRS-GFCCVEGCSA-N 0 3 276.405 2.130 20 30 CEEDHN C#CCCN1CCCN(C(=O)c2cc[nH]c2C(C)C)CC1 ZINC000981800173 613005862 /nfs/dbraw/zinc/00/58/62/613005862.db2.gz UYEBLLAHZSGRGS-UHFFFAOYSA-N 0 3 287.407 2.309 20 30 CEEDHN C#CCCN1CCCN(C(=O)c2cccc3cc[nH]c32)CC1 ZINC000982012350 613006127 /nfs/dbraw/zinc/00/61/27/613006127.db2.gz WYJRENSFPBGTII-UHFFFAOYSA-N 0 3 295.386 2.339 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cncc(CC)c2)C1 ZINC000967381440 613014973 /nfs/dbraw/zinc/01/49/73/613014973.db2.gz PTCHPJDVMWJDMC-PBHICJAKSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC000964838850 613022991 /nfs/dbraw/zinc/02/29/91/613022991.db2.gz RFBZXUOTCGVVMZ-RDJZCZTQSA-N 0 3 284.403 2.459 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC000965101626 613023226 /nfs/dbraw/zinc/02/32/26/613023226.db2.gz MFLGXGZSJKYCCC-FZMZJTMJSA-N 0 3 293.798 2.132 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccncc2CC)C1 ZINC000967032559 613023631 /nfs/dbraw/zinc/02/36/31/613023631.db2.gz MZXUUJVAIZSNSV-YOEHRIQHSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(CC)ccn2)C1 ZINC000966323879 613024501 /nfs/dbraw/zinc/02/45/01/613024501.db2.gz IWLJWQBJWASFNA-WMLDXEAASA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2cccs2)C1 ZINC000964684852 613024528 /nfs/dbraw/zinc/02/45/28/613024528.db2.gz NVVBCFUEGGPIAR-DZGCQCFKSA-N 0 3 290.432 2.141 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccccc2C)C(C)(C)C1 ZINC000972774822 613032843 /nfs/dbraw/zinc/03/28/43/613032843.db2.gz SKLNTZHYCSTPCN-MRXNPFEDSA-N 0 3 284.403 2.459 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)CC2CCCC2)C(C)(C)C1 ZINC000972772707 613036861 /nfs/dbraw/zinc/03/68/61/613036861.db2.gz CYRBPYMDEQTODB-HNNXBMFYSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)[C@@H]2CCCC23CC3)C(C)(C)C1 ZINC000974758198 613037624 /nfs/dbraw/zinc/03/76/24/613037624.db2.gz UYVCVNASDYUCPA-GJZGRUSLSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cc3occc3[nH]2)C(C)(C)C1 ZINC000974631128 613038406 /nfs/dbraw/zinc/03/84/06/613038406.db2.gz BEXJHXYIVKXUNC-HNNXBMFYSA-N 0 3 299.374 2.224 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C)nc2C)C(C)(C)C1 ZINC000977645014 613038731 /nfs/dbraw/zinc/03/87/31/613038731.db2.gz UBOLXYQTHCPCAW-INIZCTEOSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2occc2C)CC1 ZINC000948192422 613164162 /nfs/dbraw/zinc/16/41/62/613164162.db2.gz QEICXUOYMUJOGE-CQSZACIVSA-N 0 3 274.364 2.148 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C2CC3(CCC3)C2)[C@@H](C)C1 ZINC000942560190 613224182 /nfs/dbraw/zinc/22/41/82/613224182.db2.gz MIGKHVOUSJPICV-DZGCQCFKSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000944345265 613232167 /nfs/dbraw/zinc/23/21/67/613232167.db2.gz FHODVGZCHRZJLM-DOTOQJQBSA-N 0 3 284.403 2.377 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccn3c2CCCC3)C[C@H]1C ZINC000947404492 613238716 /nfs/dbraw/zinc/23/87/16/613238716.db2.gz PGLBENIGZYMMQZ-HUUCEWRRSA-N 0 3 299.418 2.040 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccn(CC)c2C)C[C@@H]1C ZINC000947644186 613238850 /nfs/dbraw/zinc/23/88/50/613238850.db2.gz WVJOGZCLDUXEII-DZGCQCFKSA-N 0 3 287.407 2.032 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2csc(C)c2C)[C@@H](C)C1 ZINC000942079658 613243342 /nfs/dbraw/zinc/24/33/42/613243342.db2.gz ODBRWHADARDDGS-XHDPSFHLSA-N 0 3 290.432 2.438 20 30 CEEDHN C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000971107236 613291564 /nfs/dbraw/zinc/29/15/64/613291564.db2.gz WVBBFDIGNFFABO-ZDUSSCGKSA-N 0 3 274.364 2.115 20 30 CEEDHN C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000971107236 613291565 /nfs/dbraw/zinc/29/15/65/613291565.db2.gz WVBBFDIGNFFABO-ZDUSSCGKSA-N 0 3 274.364 2.115 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2CC(C)C2)C1 ZINC000969478173 613298738 /nfs/dbraw/zinc/29/87/38/613298738.db2.gz AIBDRDRIQILZRU-OTTFEQOBSA-N 0 3 250.386 2.045 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2c[nH]nc2C(C)C)C1 ZINC000970026214 613299540 /nfs/dbraw/zinc/29/95/40/613299540.db2.gz CRKXUVBORZZELM-GFCCVEGCSA-N 0 3 290.411 2.159 20 30 CEEDHN C=C(C)CN1CCCN(C(=O)CC[C@H]2CCCCO2)CC1 ZINC000982056194 613308588 /nfs/dbraw/zinc/30/85/88/613308588.db2.gz BZMAXHVQDHMSBT-MRXNPFEDSA-N 0 3 294.439 2.446 20 30 CEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC(C)=C(C)C3)[C@@H]2C1 ZINC000978196984 613308628 /nfs/dbraw/zinc/30/86/28/613308628.db2.gz XMNLAPLGCHGLHI-LUKYLMHMSA-N 0 3 286.419 2.050 20 30 CEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccn(C)c2C)C1 ZINC000968253980 613324440 /nfs/dbraw/zinc/32/44/40/613324440.db2.gz NPGGHOAHSBTRJA-CJNGLKHVSA-N 0 3 289.423 2.350 20 30 CEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)CC2CCOCC2)C1 ZINC000965695242 613332451 /nfs/dbraw/zinc/33/24/51/613332451.db2.gz ROQRODPLJHQSLE-HOCLYGCPSA-N 0 3 294.439 2.206 20 30 CEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC000965065694 613332825 /nfs/dbraw/zinc/33/28/25/613332825.db2.gz KGLHRQBRTWBOOP-JSGCOSHPSA-N 0 3 261.369 2.031 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2[nH]c(C)nc2C)C(C)(C)C1 ZINC000975044454 613338344 /nfs/dbraw/zinc/33/83/44/613338344.db2.gz AYLCHFQLYIJMSH-CYBMUJFWSA-N 0 3 290.411 2.043 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2c[nH]cc2C)C(C)(C)C1 ZINC000977579250 613338405 /nfs/dbraw/zinc/33/84/05/613338405.db2.gz QULKZMUUQLXWEL-CQSZACIVSA-N 0 3 275.396 2.339 20 30 CEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C3CC3)C[C@H]2C1 ZINC000979476140 613380782 /nfs/dbraw/zinc/38/07/82/613380782.db2.gz BQHXHHNWPWNIBF-IHRRRGAJSA-N 0 3 282.815 2.366 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2ccc3n[nH]cc3c2)CC1 ZINC000981840511 613497131 /nfs/dbraw/zinc/49/71/31/613497131.db2.gz OHJOVWBBYZGYAT-UHFFFAOYSA-N 0 3 298.390 2.287 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2cnc3ccccn23)CC1 ZINC000981503811 613497758 /nfs/dbraw/zinc/49/77/58/613497758.db2.gz RADFSFLQDYCRQD-UHFFFAOYSA-N 0 3 298.390 2.058 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2cncc(Cl)c2)CC1 ZINC000982207263 613498330 /nfs/dbraw/zinc/49/83/30/613498330.db2.gz BQJRXNRHBRAYJK-UHFFFAOYSA-N 0 3 293.798 2.459 20 30 CEEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2conc2CC)C1 ZINC000968273638 613518752 /nfs/dbraw/zinc/51/87/52/613518752.db2.gz ICRICUWNUFBCDS-IUODEOHRSA-N 0 3 291.395 2.253 20 30 CEEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC000965720323 613518820 /nfs/dbraw/zinc/51/88/20/613518820.db2.gz JNBHUZDFPSKVNI-BXUZGUMPSA-N 0 3 291.395 2.308 20 30 CEEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC000968471564 613533091 /nfs/dbraw/zinc/53/30/91/613533091.db2.gz HOBJOJXRZKIHBD-SMDDNHRTSA-N 0 3 291.395 2.308 20 30 CEEDHN CC#CCN1CCCCC[C@H]1CNC(=O)c1cc[nH]c1 ZINC000968869325 613546860 /nfs/dbraw/zinc/54/68/60/613546860.db2.gz MODWKRXSXLEZFS-HNNXBMFYSA-N 0 3 273.380 2.012 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)cc(C)n2)[C@H](C)C1 ZINC000942207070 613582798 /nfs/dbraw/zinc/58/27/98/613582798.db2.gz JCAKIAZWQDGWLG-GDBMZVCRSA-N 0 3 299.418 2.162 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(CC)o2)[C@@H](C)C1 ZINC000942192977 613584111 /nfs/dbraw/zinc/58/41/11/613584111.db2.gz QBQPOJZFXDAXPQ-DZGCQCFKSA-N 0 3 288.391 2.306 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccncc2CC)[C@H](C)C1 ZINC000942196487 613585031 /nfs/dbraw/zinc/58/50/31/613585031.db2.gz QJCVZGKBKCXFJM-RHSMWYFYSA-N 0 3 299.418 2.108 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC000941180550 613595376 /nfs/dbraw/zinc/59/53/76/613595376.db2.gz IZVZZLKUQBXYNF-ZDUSSCGKSA-N 0 3 264.413 2.273 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2[nH]c(C)cc2C)[C@H](C)C1 ZINC000942182420 613600314 /nfs/dbraw/zinc/60/03/14/613600314.db2.gz XNPKRFBKKAKJGH-HIFRSBDPSA-N 0 3 287.407 2.095 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)[nH]c2C)C[C@H]1C ZINC000947757851 613601044 /nfs/dbraw/zinc/60/10/44/613601044.db2.gz GJNMIGHLDVKADH-HIFRSBDPSA-N 0 3 287.407 2.238 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)[nH]c2C)C[C@@H]1C ZINC000947757853 613601144 /nfs/dbraw/zinc/60/11/44/613601144.db2.gz GJNMIGHLDVKADH-ZFWWWQNUSA-N 0 3 287.407 2.238 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2ccsc2)[C@H](C)C1 ZINC000941784455 613604280 /nfs/dbraw/zinc/60/42/80/613604280.db2.gz KOCTVJQWKRDCDL-OCCSQVGLSA-N 0 3 276.405 2.212 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2csnc2C)C[C@@H]1C ZINC000947191504 613606171 /nfs/dbraw/zinc/60/61/71/613606171.db2.gz SZALLPUNCFVMIS-AAEUAGOBSA-N 0 3 291.420 2.058 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)C(C)(C)C2CC2)C1 ZINC000972123966 613610363 /nfs/dbraw/zinc/61/03/63/613610363.db2.gz GWLALUFGXOLKKN-CYBMUJFWSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC000971795946 613610828 /nfs/dbraw/zinc/61/08/28/613610828.db2.gz ACJVMCDZVBGIMU-NPCAHTBFSA-N 0 3 262.397 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/nfs/dbraw/zinc/87/13/15/613871315.db2.gz DEUMAKDXGQFOJO-IAGOWNOFSA-N 0 3 293.370 2.253 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001024380498 625536758 /nfs/dbraw/zinc/53/67/58/625536758.db2.gz MXUSXETYKNVTRE-CQSZACIVSA-N 0 3 286.379 2.047 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cncc(CC)c2)C1 ZINC001020396411 622555150 /nfs/dbraw/zinc/55/51/50/622555150.db2.gz RZEDZSKCONGYCR-HDJSIYSDSA-N 0 3 293.798 2.247 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001020518397 622669875 /nfs/dbraw/zinc/66/98/75/622669875.db2.gz CHPRPRYSAUPCBI-HAQNSBGRSA-N 0 3 293.798 2.495 20 30 CEEDHN CC(=O)N1CCC[C@@H]2CN(Cc3ccc(C#N)cc3)CC[C@H]21 ZINC001021477672 623215612 /nfs/dbraw/zinc/21/56/12/623215612.db2.gz DHAYBYFHXIBTHC-QZTJIDSGSA-N 0 3 297.402 2.391 20 30 CEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC2CCC2)C1 ZINC001021547361 623274865 /nfs/dbraw/zinc/27/48/65/623274865.db2.gz AGCZDJTUSYKZOG-HOTGVXAUSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C)co2)C1 ZINC001021653268 623371318 /nfs/dbraw/zinc/37/13/18/623371318.db2.gz WOUZBMBYXBTQGF-GJZGRUSLSA-N 0 3 286.375 2.148 20 30 CEEDHN N#CC(C(=O)COC1CC1)C(=O)Nc1ccccc1Cl ZINC000892490729 625653995 /nfs/dbraw/zinc/65/39/95/625653995.db2.gz WZUGXKYQYQAXHA-JTQLQIEISA-N 0 3 292.722 2.166 20 30 CEEDHN N#CC(C(=O)COC1CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000892493326 625660017 /nfs/dbraw/zinc/66/00/17/625660017.db2.gz HJTOXWOEEBITDK-GFCCVEGCSA-N 0 3 292.722 2.166 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001021971523 623597809 /nfs/dbraw/zinc/59/78/09/623597809.db2.gz OKGVMQHNFNXCSQ-UPJWGTAASA-N 0 3 281.787 2.038 20 30 CEEDHN C#CCC1(NCc2cc(-c3cnn(C)c3C)no2)CCC1 ZINC000933296721 623616459 /nfs/dbraw/zinc/61/64/59/623616459.db2.gz LWUPAFUCJZZBGY-UHFFFAOYSA-N 0 3 284.363 2.419 20 30 CEEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccnn2C(C)C)CCC1 ZINC000933303329 623631388 /nfs/dbraw/zinc/63/13/88/623631388.db2.gz OHUYTZISPIOVOK-CYBMUJFWSA-N 0 3 288.395 2.327 20 30 CEEDHN C#CCC1(NCC(=O)N(CCC#N)c2ccccc2)CCC1 ZINC000933304005 623631554 /nfs/dbraw/zinc/63/15/54/623631554.db2.gz WLSQHDMNUJIMQW-UHFFFAOYSA-N 0 3 295.386 2.469 20 30 CEEDHN Cc1noc(C[C@@H]2CCCN(CC3(CC#N)CC3)C2)n1 ZINC000933565745 623840529 /nfs/dbraw/zinc/84/05/29/623840529.db2.gz HECNYNDDTQFRFI-ZDUSSCGKSA-N 0 3 274.368 2.326 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ncc(C)cc2C)C1 ZINC001022468546 624144292 /nfs/dbraw/zinc/14/42/92/624144292.db2.gz MXOKJGYHTKUUEA-BETUJISGSA-N 0 3 293.798 2.301 20 30 CEEDHN COC(=O)CCN(Cc1csc(C#N)c1)C(C)C ZINC000892036580 624267538 /nfs/dbraw/zinc/26/75/38/624267538.db2.gz OSCMRWUIHFNFQK-UHFFFAOYSA-N 0 3 266.366 2.393 20 30 CEEDHN N#Cc1cc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)cs1 ZINC000892247285 624451211 /nfs/dbraw/zinc/45/12/11/624451211.db2.gz VHIVBJBWEPAJIR-TZMCWYRMSA-N 0 3 289.404 2.110 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2cnc(F)c(F)c2)CC1 ZINC000934406409 624484068 /nfs/dbraw/zinc/48/40/68/624484068.db2.gz SALLHIGWFWLMBG-UHFFFAOYSA-N 0 3 296.321 2.132 20 30 CEEDHN Cc1ccccc1CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000051651561 624499269 /nfs/dbraw/zinc/49/92/69/624499269.db2.gz QNEATYOLSRVJIF-OAHLLOKOSA-N 0 3 284.359 2.305 20 30 CEEDHN C#C[C@H]1CCCCN1C[C@@H]1CC2(CO1)CCOCC2 ZINC000934518961 624556524 /nfs/dbraw/zinc/55/65/24/624556524.db2.gz OBFNZGWOYZYYBD-GJZGRUSLSA-N 0 3 263.381 2.060 20 30 CEEDHN C[C@@H](NCCO[C@@H](C)C#N)c1cnn(CC2CCC2)c1 ZINC000934558537 624582088 /nfs/dbraw/zinc/58/20/88/624582088.db2.gz DQWZOZFOKGWEJQ-QWHCGFSZSA-N 0 3 276.384 2.262 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cccs2)C1 ZINC001023210491 624963659 /nfs/dbraw/zinc/96/36/59/624963659.db2.gz DWYNCGZEULSVJP-CYBMUJFWSA-N 0 3 276.405 2.213 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)C2CCCCCC2)C1 ZINC001023264658 624976261 /nfs/dbraw/zinc/97/62/61/624976261.db2.gz LRYSUUBQGAUIIS-OAHLLOKOSA-N 0 3 276.424 2.418 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc2c1OCO2 ZINC000926525355 624985367 /nfs/dbraw/zinc/98/53/67/624985367.db2.gz JMVNMNCFRQNBKH-UHTWSYAYSA-N 0 3 261.321 2.409 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)C2CCC3(CC3)CC2)C1 ZINC001023492744 625024237 /nfs/dbraw/zinc/02/42/37/625024237.db2.gz CIGDAIXNGMHSHS-OAHLLOKOSA-N 0 3 288.435 2.418 20 30 CEEDHN C=CCN1CCC[C@@H](CNC(=O)c2nc(Cl)cs2)C1 ZINC001023555674 625043600 /nfs/dbraw/zinc/04/36/00/625043600.db2.gz ZXCHEDYXRWPJEJ-JTQLQIEISA-N 0 3 299.827 2.424 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccoc2C(C)C)C1 ZINC001023770110 625207582 /nfs/dbraw/zinc/20/75/82/625207582.db2.gz PUCNDMUAGLHLLT-AWEZNQCLSA-N 0 3 288.391 2.478 20 30 CEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001024630839 625728317 /nfs/dbraw/zinc/72/83/17/625728317.db2.gz XSHBBXOIWPTWNO-WMZOPIPTSA-N 0 3 296.414 2.320 20 30 CEEDHN C=C1CCC(C(=O)NC[C@@H]2CCCCN2CCCO)CC1 ZINC001024632037 625730712 /nfs/dbraw/zinc/73/07/12/625730712.db2.gz QQYLKQOVIAFFKP-INIZCTEOSA-N 0 3 294.439 2.086 20 30 CEEDHN CCCCCCCCN1CCC[C@H](NS(C)(=O)=O)C1 ZINC000157571945 625921582 /nfs/dbraw/zinc/92/15/82/625921582.db2.gz HRXSCJPNEKJEKD-AWEZNQCLSA-N 0 3 290.473 2.361 20 30 CEEDHN C=C1CCC(C(=O)C(C#N)C(=O)Nc2ccccn2)CC1 ZINC000892550335 625958126 /nfs/dbraw/zinc/95/81/26/625958126.db2.gz GSKINHYSBIKQIO-ZDUSSCGKSA-N 0 3 283.331 2.475 20 30 CEEDHN C#C[C@@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccccc1 ZINC000820599403 634468668 /nfs/dbraw/zinc/46/86/68/634468668.db2.gz MOZHKUISKRRFHJ-DLBZAZTESA-N 0 3 295.386 2.017 20 30 CEEDHN C#C[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccccc1 ZINC000820599405 634469472 /nfs/dbraw/zinc/46/94/72/634469472.db2.gz MOZHKUISKRRFHJ-IRXDYDNUSA-N 0 3 295.386 2.017 20 30 CEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC ZINC001025179484 627370485 /nfs/dbraw/zinc/37/04/85/627370485.db2.gz MMMATRQXDHLDDL-GJZGRUSLSA-N 0 3 262.397 2.265 20 30 CEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2CCC2)C1 ZINC001025318800 627629793 /nfs/dbraw/zinc/62/97/93/627629793.db2.gz BXLDSQJNGADYBK-HIFRSBDPSA-N 0 3 262.397 2.027 20 30 CEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C2CCCC2)C1 ZINC001025322087 627631941 /nfs/dbraw/zinc/63/19/41/627631941.db2.gz DYGLMZFNKGLPLS-HOCLYGCPSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccccc2C)C1 ZINC001025327293 627635200 /nfs/dbraw/zinc/63/52/00/627635200.db2.gz VZQNZEKRUMIPGW-HOTGVXAUSA-N 0 3 284.403 2.459 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2oc(C)cc2C)C1 ZINC001025372130 627660839 /nfs/dbraw/zinc/66/08/39/627660839.db2.gz NATSFAVABZHPAF-LSDHHAIUSA-N 0 3 288.391 2.360 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccoc2Cl)C1 ZINC001025403749 627679117 /nfs/dbraw/zinc/67/91/17/627679117.db2.gz JMVYMJGBAUJILL-NEPJUHHUSA-N 0 3 294.782 2.397 20 30 CEEDHN C=C(CN[C@@H]1C[C@@H](OCC)[C@@H]1OC)c1ccccc1 ZINC000892710800 627705998 /nfs/dbraw/zinc/70/59/98/627705998.db2.gz CKXXPYLVGLSOAO-BZUAXINKSA-N 0 3 261.365 2.482 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C)cc(C)n2)C1 ZINC001025462670 627708830 /nfs/dbraw/zinc/70/88/30/627708830.db2.gz IIOFDARXKHSEPA-JKSUJKDBSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C)cc(C)n2)C1 ZINC001025462669 627708865 /nfs/dbraw/zinc/70/88/65/627708865.db2.gz IIOFDARXKHSEPA-HZPDHXFCSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C#C)cc2)C1 ZINC001025501619 627728159 /nfs/dbraw/zinc/72/81/59/627728159.db2.gz IMYILNGMVBCOOW-YJBOKZPZSA-N 0 3 294.398 2.131 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccnc(C)c2)C1 ZINC001025570447 627760214 /nfs/dbraw/zinc/76/02/14/627760214.db2.gz GXAMHYKHAICLHU-DOTOQJQBSA-N 0 3 299.418 2.244 20 30 CEEDHN C[C@@]1(NC(=O)/C=C\c2ccccc2C#N)CN2CCC1CC2 ZINC000892794153 627775286 /nfs/dbraw/zinc/77/52/86/627775286.db2.gz OWCWPJKVJRLBAM-HPFMTEOYSA-N 0 3 295.386 2.172 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892798568 627779883 /nfs/dbraw/zinc/77/98/83/627779883.db2.gz GADFPDVTDPNYGL-IRXDYDNUSA-N 0 3 299.418 2.451 20 30 CEEDHN C=CC1CCN(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC1 ZINC000892808082 627784780 /nfs/dbraw/zinc/78/47/80/627784780.db2.gz JDESCOOTFZNHAO-KRWDZBQOSA-N 0 3 299.418 2.309 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C\c1ccc(Cl)cc1 ZINC000328149855 627860063 /nfs/dbraw/zinc/86/00/63/627860063.db2.gz DYHDZOAWLONNLO-YFHOEESVSA-N 0 3 290.794 2.425 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C/c1ccc(Cl)cc1 ZINC000328149854 627860288 /nfs/dbraw/zinc/86/02/88/627860288.db2.gz DYHDZOAWLONNLO-JXMROGBWSA-N 0 3 290.794 2.425 20 30 CEEDHN Cn1cc(C[C@H]2CCC[C@H]2NCC(C)(C)C#N)cn1 ZINC000926873273 627876779 /nfs/dbraw/zinc/87/67/79/627876779.db2.gz DUZAENCKAHYUDF-ZIAGYGMSSA-N 0 3 260.385 2.271 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001025921769 627966704 /nfs/dbraw/zinc/96/67/04/627966704.db2.gz GEPJUBDACDRJMG-DMRKSPOLSA-N 0 3 288.435 2.435 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[C@@H]1C ZINC001025986366 627993068 /nfs/dbraw/zinc/99/30/68/627993068.db2.gz GDAIRPXRLFNUCY-BTFPBAQTSA-N 0 3 262.397 2.045 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001026127872 628044380 /nfs/dbraw/zinc/04/43/80/628044380.db2.gz JDRXYUPSDZKUBF-ZVDSWSACSA-N 0 3 274.408 2.045 20 30 CEEDHN C#C[C@](C)(CC)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000854704082 628265770 /nfs/dbraw/zinc/26/57/70/628265770.db2.gz KXQOWEHRFUAUTI-CABCVRRESA-N 0 3 268.376 2.117 20 30 CEEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2ccoc2)cc1 ZINC000123675814 628452140 /nfs/dbraw/zinc/45/21/40/628452140.db2.gz HNOUBMVUQYZYIR-CQSZACIVSA-N 0 3 298.298 2.178 20 30 CEEDHN CN(C)c1ccc(/C=C/C=NN2CCC[C@@H]2CO)cc1 ZINC000841657484 628529226 /nfs/dbraw/zinc/52/92/26/628529226.db2.gz MQZDNWHJYOUHQL-AORDRWNLSA-N 0 3 273.380 2.208 20 30 CEEDHN CC(C)N1CCC[C@H]1C(=O)NCc1ccc(C#N)cc1F ZINC000932067287 628958966 /nfs/dbraw/zinc/95/89/66/628958966.db2.gz ARUKQYOTXBETDJ-HNNXBMFYSA-N 0 3 289.354 2.186 20 30 CEEDHN C=CCCCCNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000894261901 629275155 /nfs/dbraw/zinc/27/51/55/629275155.db2.gz RKOMTFIJQWWSJU-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN COC(=O)[C@@H](CNCC#Cc1ccccc1)CC(C)C ZINC000894536951 629524843 /nfs/dbraw/zinc/52/48/43/629524843.db2.gz MFDFNSZQEYFBKQ-MRXNPFEDSA-N 0 3 273.376 2.463 20 30 CEEDHN C#C[C@H](NCc1cc(C(=O)OC)c(CC)[nH]1)C(C)C ZINC000894738657 629617434 /nfs/dbraw/zinc/61/74/34/629617434.db2.gz WTYGYLFLBBXDMB-ZDUSSCGKSA-N 0 3 262.353 2.111 20 30 CEEDHN N#CCCNC(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000796279626 629831864 /nfs/dbraw/zinc/83/18/64/629831864.db2.gz DEOSBYOLIPLFGO-BBWFWOEESA-N 0 3 297.402 2.284 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)CCC(F)F ZINC000796630331 629948703 /nfs/dbraw/zinc/94/87/03/629948703.db2.gz LKOAUENDLOVACA-SNVBAGLBSA-N 0 3 274.311 2.437 20 30 CEEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCC(F)F)cc1 ZINC000796630750 629948985 /nfs/dbraw/zinc/94/89/85/629948985.db2.gz QQHSXAKAHYWXSN-LLVKDONJSA-N 0 3 296.273 2.388 20 30 CEEDHN O=C1[C@H]([NH2+]C2CC(c3ccccc3F)C2)CCCN1[O-] ZINC000895159991 629977339 /nfs/dbraw/zinc/97/73/39/629977339.db2.gz JSDOIGDXRRWDQS-QIMFLAQGSA-N 0 3 278.327 2.042 20 30 CEEDHN C[C@H]([NH2+][C@H]1CCCN([O-])C1=O)[C@@H](C)c1ccccc1 ZINC000895161556 629980900 /nfs/dbraw/zinc/98/09/00/629980900.db2.gz HEQFTBQOFIDFQZ-DYEKYZERSA-N 0 3 262.353 2.148 20 30 CEEDHN CC(C)[C@@H](C[NH2+][C@@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000895162148 629981475 /nfs/dbraw/zinc/98/14/75/629981475.db2.gz XCHXRYALOBYVEY-HUUCEWRRSA-N 0 3 276.380 2.396 20 30 CEEDHN C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895162430 629982121 /nfs/dbraw/zinc/98/21/21/629982121.db2.gz ZIRHYLQPCCBXPN-ZWNOBZJWSA-N 0 3 282.771 2.241 20 30 CEEDHN Cc1ccccc1C1CC([NH2+][C@@H]2CCCN([O-])C2=O)C1 ZINC000895163129 629984229 /nfs/dbraw/zinc/98/42/29/629984229.db2.gz RITNUVYGPUMGBS-SSDMNJCBSA-N 0 3 274.364 2.211 20 30 CEEDHN N#Cc1cc(CN2CCCCC[C@@H]2CO)cs1 ZINC000895194206 630024051 /nfs/dbraw/zinc/02/40/51/630024051.db2.gz YELIAEYNACVVNZ-GFCCVEGCSA-N 0 3 250.367 2.357 20 30 CEEDHN CC(C)(C#N)c1ccc(CN[C@H]2C(=O)NCC2(C)C)cc1 ZINC000895320628 630107772 /nfs/dbraw/zinc/10/77/72/630107772.db2.gz HRGXFQYSHBSPMN-AWEZNQCLSA-N 0 3 285.391 2.102 20 30 CEEDHN C#CC1(O)CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000895382295 630152611 /nfs/dbraw/zinc/15/26/11/630152611.db2.gz CDVXDLIVCINJIO-UHFFFAOYSA-N 0 3 281.302 2.248 20 30 CEEDHN CC(C)(CNCC#Cc1ccccc1)[C@@]1(O)CCCOC1 ZINC000895443415 630187631 /nfs/dbraw/zinc/18/76/31/630187631.db2.gz WTFBRIZFIDQIPQ-GOSISDBHSA-N 0 3 287.403 2.195 20 30 CEEDHN C[C@@H]1[C@H](Nc2cc(C(F)(F)F)cnc2C#N)CCN1C ZINC000895735701 630325894 /nfs/dbraw/zinc/32/58/94/630325894.db2.gz DZMASSRMUURVFF-PSASIEDQSA-N 0 3 284.285 2.477 20 30 CEEDHN C#CCN(C(=O)NCC(C)(C)C1CC1)C1CCN(C)CC1 ZINC000896969948 630855405 /nfs/dbraw/zinc/85/54/05/630855405.db2.gz NOEYFFYLRBLFQH-UHFFFAOYSA-N 0 3 291.439 2.162 20 30 CEEDHN C#CCC[C@H](O)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000798419201 630869033 /nfs/dbraw/zinc/86/90/33/630869033.db2.gz CWCLZQYRIRTLJW-ZDUSSCGKSA-N 0 3 299.330 2.060 20 30 CEEDHN CC(=NNCC(C)(C)CO)c1ccccc1N(C)C ZINC000799115516 630980336 /nfs/dbraw/zinc/98/03/36/630980336.db2.gz ZHSRVUHIZHLWNC-UHFFFAOYSA-N 0 3 263.385 2.085 20 30 CEEDHN C=C(C)CC[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799174199 630990742 /nfs/dbraw/zinc/99/07/42/630990742.db2.gz KUCOWVFBHRXQLH-UHFFFAOYSA-N 0 3 278.318 2.343 20 30 CEEDHN C=C1CCC(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)CC1 ZINC000897237847 631008734 /nfs/dbraw/zinc/00/87/34/631008734.db2.gz QXKGYBFQWBRGLQ-UONOGXRCSA-N 0 3 282.453 2.237 20 30 CEEDHN O=C1C=C(NNc2cccc3cnccc32)C2CCCN12 ZINC000799478497 631031093 /nfs/dbraw/zinc/03/10/93/631031093.db2.gz HLSCNVYSLRSWTN-OAHLLOKOSA-N 0 3 280.331 2.397 20 30 CEEDHN CCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)[C@H]1C ZINC000985849428 631188945 /nfs/dbraw/zinc/18/89/45/631188945.db2.gz UQMWHTJBDZPPHT-ZWNOBZJWSA-N 0 3 277.393 2.109 20 30 CEEDHN COc1ccc(OC)c([C@H](C)NCCO[C@H](C)C#N)c1 ZINC000801937537 631361971 /nfs/dbraw/zinc/36/19/71/631361971.db2.gz PLGYOMFZBLRQCZ-NEPJUHHUSA-N 0 3 278.352 2.283 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC(c2ccccn2)CC1 ZINC000801936286 631362439 /nfs/dbraw/zinc/36/24/39/631362439.db2.gz MHVPMARBTGZBLT-ZDUSSCGKSA-N 0 3 259.353 2.190 20 30 CEEDHN CCN(CC)c1ccc(C=NNCC(C)(C)O)cc1 ZINC000863140234 631493567 /nfs/dbraw/zinc/49/35/67/631493567.db2.gz GHUSBSXLZWLWHH-UHFFFAOYSA-N 0 3 263.385 2.227 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC000988857415 631702630 /nfs/dbraw/zinc/70/26/30/631702630.db2.gz WXBGTXNQKHKTJU-DZGCQCFKSA-N 0 3 299.418 2.205 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc3c2CCCC3)C1 ZINC000988876884 631703365 /nfs/dbraw/zinc/70/33/65/631703365.db2.gz SDAVYJNTYBCJSX-GOEBONIOSA-N 0 3 296.414 2.391 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2nsc3ccccc32)C1 ZINC000988875389 631703414 /nfs/dbraw/zinc/70/34/14/631703414.db2.gz HECAAUQXXKDZJU-VXGBXAGGSA-N 0 3 299.399 2.122 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2c(C)cccc2C)C1 ZINC000988902469 631707071 /nfs/dbraw/zinc/70/70/71/631707071.db2.gz DLXMDVWUIXNDIJ-JKSUJKDBSA-N 0 3 284.403 2.058 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(Cl)ccc2F)C1 ZINC000989137529 631733939 /nfs/dbraw/zinc/73/39/39/631733939.db2.gz LLNUQIFKKNBQON-CMPLNLGQSA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)cc2C)C1 ZINC000989410814 631821381 /nfs/dbraw/zinc/82/13/81/631821381.db2.gz ZSHZEACHTVYBBS-OCCSQVGLSA-N 0 3 290.794 2.474 20 30 CEEDHN C=C(C)COc1cc(CN2C[C@H](C)[C@H](O)C2)ccc1OC ZINC000897684450 631869117 /nfs/dbraw/zinc/86/91/17/631869117.db2.gz PJAVNXFXAMGMTR-DZGCQCFKSA-N 0 3 291.391 2.463 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925319336 631882981 /nfs/dbraw/zinc/88/29/81/631882981.db2.gz RSZCJWDJVNGDDN-GDBMZVCRSA-N 0 3 287.407 2.477 20 30 CEEDHN C#C[C@H](CC)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000808296593 631946089 /nfs/dbraw/zinc/94/60/89/631946089.db2.gz RPPZOAFYXGZFHT-UAGQMJEPSA-N 0 3 299.418 2.360 20 30 CEEDHN C=CCC[C@H](CC)[NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898156365 632073778 /nfs/dbraw/zinc/07/37/78/632073778.db2.gz DTQRBKZNCMPCKR-STQMWFEESA-N 0 3 276.384 2.095 20 30 CEEDHN CCN(C[C@H](O)CC#N)[C@@H](C)c1cccc(OC)c1 ZINC000809573212 632101903 /nfs/dbraw/zinc/10/19/03/632101903.db2.gz ZPOWPGVTGPGJLR-GXTWGEPZSA-N 0 3 262.353 2.353 20 30 CEEDHN C[C@@]1(c2ccccc2)CCCN(C[C@H](O)CC#N)C1 ZINC000809575264 632103697 /nfs/dbraw/zinc/10/36/97/632103697.db2.gz XENBTGHOSHFECK-HZPDHXFCSA-N 0 3 258.365 2.315 20 30 CEEDHN C#C[C@H](C)NCc1ccc(Oc2cnccn2)cc1 ZINC000809683759 632126037 /nfs/dbraw/zinc/12/60/37/632126037.db2.gz NLGKZORBFMSXBL-LBPRGKRZSA-N 0 3 253.305 2.380 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2ccc(CC)cc2)C1 ZINC000989491318 632186907 /nfs/dbraw/zinc/18/69/07/632186907.db2.gz FMGBLMRHFKDXIY-YOEHRIQHSA-N 0 3 284.403 2.004 20 30 CEEDHN C=C(C)CN1CCCN(C(=O)C[C@@H](C)[C@H]2CCCO2)CC1 ZINC000989557370 632204276 /nfs/dbraw/zinc/20/42/76/632204276.db2.gz JLLJBDHHINWKDK-HZPDHXFCSA-N 0 3 294.439 2.302 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)C1(CCF)CC1 ZINC000810529185 632222889 /nfs/dbraw/zinc/22/28/89/632222889.db2.gz BAMLAXWJPCLOJH-LBPRGKRZSA-N 0 3 274.295 2.474 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC000989685735 632224534 /nfs/dbraw/zinc/22/45/34/632224534.db2.gz GOPDMONBVKVBPJ-DZGCQCFKSA-N 0 3 287.407 2.039 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000989698167 632226044 /nfs/dbraw/zinc/22/60/44/632226044.db2.gz VGPOFYCJIXMMER-TUVASFSCSA-N 0 3 262.397 2.025 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2Cl)C1 ZINC000989706363 632228462 /nfs/dbraw/zinc/22/84/62/632228462.db2.gz DXHAHIITEXCJMU-VXGBXAGGSA-N 0 3 276.767 2.166 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C(F)F)o2)C1 ZINC000989734188 632232767 /nfs/dbraw/zinc/23/27/67/632232767.db2.gz QWRLPSDOURSETM-ZJUUUORDSA-N 0 3 282.290 2.043 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc(C)c2C)C1 ZINC000989741335 632235813 /nfs/dbraw/zinc/23/58/13/632235813.db2.gz BNSKTNUOKBZXAL-DZGCQCFKSA-N 0 3 270.376 2.129 20 30 CEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3ocnc3C)CCC[C@H]12 ZINC000990134395 632319162 /nfs/dbraw/zinc/31/91/62/632319162.db2.gz KOMCGCIJFPUJCV-BBRMVZONSA-N 0 3 289.379 2.286 20 30 CEEDHN C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925330054 632335736 /nfs/dbraw/zinc/33/57/36/632335736.db2.gz AWARTFVXJFKOHW-UKRRQHHQSA-N 0 3 291.395 2.112 20 30 CEEDHN C=CCN1CCC(Nc2ncc3c(n2)CCCC3)CC1 ZINC000840256633 632538659 /nfs/dbraw/zinc/53/86/59/632538659.db2.gz DCQVWKBESPYUAA-UHFFFAOYSA-N 0 3 272.396 2.418 20 30 CEEDHN CC1/C(=C/c2ccc3c(c2)C[C@@H](C)O3)C(=O)c2ncnn21 ZINC000899379933 632821818 /nfs/dbraw/zinc/82/18/18/632821818.db2.gz DIKWQVQLDOREQP-PBTCPWEHSA-N 0 3 281.315 2.442 20 30 CEEDHN CCC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccc(N)c1 ZINC000814885534 632914272 /nfs/dbraw/zinc/91/42/72/632914272.db2.gz COZZOZDNRQYHQL-GASCZTMLSA-N 0 3 285.395 2.243 20 30 CEEDHN C=CCC(F)(F)C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000815497406 633026355 /nfs/dbraw/zinc/02/63/55/633026355.db2.gz JMJKEPMNIYOYDP-UHFFFAOYSA-N 0 3 297.349 2.183 20 30 CEEDHN C#CCCCN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000815585116 633034617 /nfs/dbraw/zinc/03/46/17/633034617.db2.gz YPTVBMCJVAKBJI-ZDUSSCGKSA-N 0 3 258.300 2.036 20 30 CEEDHN C=CCCC[C@H](N)c1nc(C2(N)CCCC2)no1 ZINC000900005885 633170619 /nfs/dbraw/zinc/17/06/19/633170619.db2.gz MZSBPJAMRSIHAO-JTQLQIEISA-N 0 3 250.346 2.154 20 30 CEEDHN C[C@H](C#N)OCCN1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000817289184 633620460 /nfs/dbraw/zinc/62/04/60/633620460.db2.gz UINYAUMFBZMOGG-MGPQQGTHSA-N 0 3 296.411 2.215 20 30 CEEDHN CCn1nc(C)c(CNC2CCC(C)(C#N)CC2)n1 ZINC000818220445 633886706 /nfs/dbraw/zinc/88/67/06/633886706.db2.gz HEHKABZNERQZBB-UHFFFAOYSA-N 0 3 261.373 2.169 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC000818584549 633952309 /nfs/dbraw/zinc/95/23/09/633952309.db2.gz OMQJVMGIXGJTOT-LSDHHAIUSA-N 0 3 276.424 2.296 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1ccccc1CC ZINC000818593386 633954081 /nfs/dbraw/zinc/95/40/81/633954081.db2.gz XDYHCWIAGRRIJK-ZWKOTPCHSA-N 0 3 298.430 2.424 20 30 CEEDHN C#CC[N@@H+](C)CCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000818599456 633956346 /nfs/dbraw/zinc/95/63/46/633956346.db2.gz RGWVZGFABUXFSM-UHFFFAOYSA-N 0 3 288.391 2.201 20 30 CEEDHN C#CC[N@H+](C)CCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000818599456 633956349 /nfs/dbraw/zinc/95/63/49/633956349.db2.gz RGWVZGFABUXFSM-UHFFFAOYSA-N 0 3 288.391 2.201 20 30 CEEDHN C#CCN(C)CCCNC(=O)C(CC)(CC)CC ZINC000818615397 633961017 /nfs/dbraw/zinc/96/10/17/633961017.db2.gz MSQDPGLLXIKHTE-UHFFFAOYSA-N 0 3 252.402 2.274 20 30 CEEDHN CS(=O)(=O)CCN[C@H](CCCC#N)c1ccccc1 ZINC000819330623 634143426 /nfs/dbraw/zinc/14/34/26/634143426.db2.gz XMYLHPZQQURMFQ-CQSZACIVSA-N 0 3 280.393 2.056 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC[C@@H](O)c2c(F)cccc2F)C1 ZINC000819382815 634163894 /nfs/dbraw/zinc/16/38/94/634163894.db2.gz FJPCOKVEWMMSGB-OPQQBVKSSA-N 0 3 266.291 2.280 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)CN(C)CCCCCC ZINC000819605778 634225599 /nfs/dbraw/zinc/22/55/99/634225599.db2.gz IKUHXGGZSXEWLU-GJZGRUSLSA-N 0 3 282.428 2.206 20 30 CEEDHN C[C@@H](NC[C@@H](O)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902794700 634836691 /nfs/dbraw/zinc/83/66/91/634836691.db2.gz YHQFQTRCOXFJDB-CJNGLKHVSA-N 0 3 281.359 2.207 20 30 CEEDHN Cc1cccc(NCCN[C@@H](C)c2cc(C#N)ccn2)n1 ZINC000902877411 634875128 /nfs/dbraw/zinc/87/51/28/634875128.db2.gz QPLDPXUHSJBVKE-ZDUSSCGKSA-N 0 3 281.363 2.419 20 30 CEEDHN C[C@@H](NC[C@@H](O)Cc1cccc(F)c1)c1cc(C#N)ccn1 ZINC000903002574 634934049 /nfs/dbraw/zinc/93/40/49/634934049.db2.gz FNGUORORYYAGJE-WBMJQRKESA-N 0 3 299.349 2.347 20 30 CEEDHN CC[C@@H](N[C@@H]1CC(=O)N(CC)C1)c1cccc(C#N)c1 ZINC000903007983 634936895 /nfs/dbraw/zinc/93/68/95/634936895.db2.gz JMYKQVSUSLRTLV-HUUCEWRRSA-N 0 3 271.364 2.220 20 30 CEEDHN COC[C@H](N[C@H](C)c1cc(C#N)ccn1)C1CCOCC1 ZINC000903047690 634954979 /nfs/dbraw/zinc/95/49/79/634954979.db2.gz QDZHOJINMYTFEQ-WBMJQRKESA-N 0 3 289.379 2.045 20 30 CEEDHN C[C@H](N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1cc(C#N)ccn1 ZINC000903079013 634959594 /nfs/dbraw/zinc/95/95/94/634959594.db2.gz ZHVYXVVSALLNOQ-OPUGUKOWSA-N 0 3 269.348 2.027 20 30 CEEDHN CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000903300015 635046862 /nfs/dbraw/zinc/04/68/62/635046862.db2.gz VFXNKLWRCINDCS-COLVAYQJSA-N 0 3 278.327 2.152 20 30 CEEDHN C[C@H](N[C@@H]1COC[C@@H]1C1CC1)c1cc(C#N)ccn1 ZINC000903439272 635119098 /nfs/dbraw/zinc/11/90/98/635119098.db2.gz CTSDDPACEYUFRD-PSOPSSQASA-N 0 3 257.337 2.029 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)C#Cc1cccs1 ZINC000825829826 635718374 /nfs/dbraw/zinc/71/83/74/635718374.db2.gz FRERYDAFCVQHII-CYBMUJFWSA-N 0 3 276.405 2.090 20 30 CEEDHN COc1ccc(OC)c(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905080879 635797741 /nfs/dbraw/zinc/79/77/41/635797741.db2.gz MXLMQDSATUOHIQ-PPLKPFPSSA-N 0 3 285.303 2.136 20 30 CEEDHN CC1/C(=C/c2c[nH]c(C(F)(F)F)c2)C(=O)c2ncnn21 ZINC000905083170 635798846 /nfs/dbraw/zinc/79/88/46/635798846.db2.gz CBEKOUYRCLKAMD-WNGQPZJSSA-N 0 3 282.225 2.466 20 30 CEEDHN CC1/C(=C/c2cnc(C(C)(C)C)nc2)C(=O)c2ncnn21 ZINC000905087776 635801274 /nfs/dbraw/zinc/80/12/74/635801274.db2.gz ZMKCTBKZVYZZTP-QQCYMQAYSA-N 0 3 283.335 2.207 20 30 CEEDHN CC[C@@](O)(CNCC(C)(C)CC#N)C(F)(F)F ZINC000905285178 636209271 /nfs/dbraw/zinc/20/92/71/636209271.db2.gz POOZHGHUAPJQEN-SNVBAGLBSA-N 0 3 252.280 2.219 20 30 CEEDHN C=CC(C)(C)CCCNC(=O)N1CCCN(C)CC1 ZINC000876323238 650246233 /nfs/dbraw/zinc/24/62/33/650246233.db2.gz JCBCBIZEDPSMBS-UHFFFAOYSA-N 0 3 267.417 2.326 20 30 CEEDHN C#Cc1cnc(N2CCN(CC3CCCCC3)CC2)nc1 ZINC000827487565 636333763 /nfs/dbraw/zinc/33/37/63/636333763.db2.gz XDQJELNTTZJJND-UHFFFAOYSA-N 0 3 284.407 2.160 20 30 CEEDHN C#C[C@@H](NCc1ccccc1OC)C1CCOCC1 ZINC000827570298 636356665 /nfs/dbraw/zinc/35/66/65/636356665.db2.gz LALLTEWNXHKYRG-OAHLLOKOSA-N 0 3 259.349 2.213 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccsc1C#N ZINC000906104758 636602560 /nfs/dbraw/zinc/60/25/60/636602560.db2.gz QUYNLPJKSCNYFH-NSHDSACASA-N 0 3 277.393 2.224 20 30 CEEDHN COc1ccc(-c2cnc([C@H]3CCCN3)nc2)cc1C#N ZINC000906170586 636632642 /nfs/dbraw/zinc/63/26/42/636632642.db2.gz GBARODGGSRIBQO-CQSZACIVSA-N 0 3 280.331 2.448 20 30 CEEDHN C#C[C@H]1CC[C@H](NC(=O)N(CCC)[C@H]2CCN(C)C2)CC1 ZINC000876440963 650279068 /nfs/dbraw/zinc/27/90/68/650279068.db2.gz NEYXSPHLUBETBK-JYJNAYRXSA-N 0 3 291.439 2.304 20 30 CEEDHN C#CC[C@H]1CCCN(CC(=O)NCc2ccccc2C)C1 ZINC000829768288 636925865 /nfs/dbraw/zinc/92/58/65/636925865.db2.gz BJJPXSNYXOWPKG-INIZCTEOSA-N 0 3 284.403 2.347 20 30 CEEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)NC(CC)CC)C1 ZINC000829773594 636926854 /nfs/dbraw/zinc/92/68/54/636926854.db2.gz GSNWONHDVKEHHD-KGLIPLIRSA-N 0 3 264.413 2.415 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)NCc2ccccc2)C1 ZINC000829774697 636927075 /nfs/dbraw/zinc/92/70/75/636927075.db2.gz SEKDJRFFLXSMMQ-MRXNPFEDSA-N 0 3 270.376 2.038 20 30 CEEDHN C#CC[C@@H]1CCCN([C@@H](CCC)C(=O)OCC)C1 ZINC000829784475 636929389 /nfs/dbraw/zinc/92/93/89/636929389.db2.gz KOYHFSNXVFCBHY-KGLIPLIRSA-N 0 3 251.370 2.454 20 30 CEEDHN C#CC1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000830321518 637035565 /nfs/dbraw/zinc/03/55/65/637035565.db2.gz PCUDNVIMKYOVDQ-UHFFFAOYSA-N 0 3 257.333 2.303 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000876527476 650304374 /nfs/dbraw/zinc/30/43/74/650304374.db2.gz HFZHKVCZKHLDOJ-GFCCVEGCSA-N 0 3 279.771 2.453 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000876547277 650317848 /nfs/dbraw/zinc/31/78/48/650317848.db2.gz NKDGYEFEVPPSMZ-LBPRGKRZSA-N 0 3 284.743 2.112 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC)cc1 ZINC000876544896 650315319 /nfs/dbraw/zinc/31/53/19/650315319.db2.gz AGHLDFQIJNKBHX-NSHDSACASA-N 0 3 254.717 2.104 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C#Cc1cccs1 ZINC000831415995 637322127 /nfs/dbraw/zinc/32/21/27/637322127.db2.gz GVOKOFRGIGGHGV-AWEZNQCLSA-N 0 3 290.432 2.336 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN1CCC(CCO)CC1 ZINC000876563591 650332247 /nfs/dbraw/zinc/33/22/47/650332247.db2.gz BAXVEIXRCRQCSN-UHFFFAOYSA-N 0 3 287.407 2.219 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccnn1CCC(C)C ZINC000876569747 650335944 /nfs/dbraw/zinc/33/59/44/650335944.db2.gz KKJPICOTVLKYRT-NSHDSACASA-N 0 3 284.791 2.338 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CCCCCCCC1)C1CC1 ZINC000831926893 637462860 /nfs/dbraw/zinc/46/28/60/637462860.db2.gz YFRRVDKZFAWBIK-MRXNPFEDSA-N 0 3 277.412 2.451 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(OCC)c1 ZINC000876579535 650343300 /nfs/dbraw/zinc/34/33/00/650343300.db2.gz UPLBPNBQDZAOHK-LBPRGKRZSA-N 0 3 268.744 2.494 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1C(C)(C)C ZINC000876643317 650363505 /nfs/dbraw/zinc/36/35/05/650363505.db2.gz WWKNCNOYEUWPSS-QWRGUYRKSA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCOc1ccc(C)cc1 ZINC000876627389 650366554 /nfs/dbraw/zinc/36/65/54/650366554.db2.gz FOHKWPKBFQEDQO-CQSZACIVSA-N 0 3 296.798 2.350 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)CCC(F)(F)F ZINC000876634909 650368887 /nfs/dbraw/zinc/36/88/87/650368887.db2.gz GDQOTTCSMMYHON-QMMMGPOBSA-N 0 3 272.698 2.257 20 30 CEEDHN C=CCCc1noc([C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000834819531 637959973 /nfs/dbraw/zinc/95/99/73/637959973.db2.gz XRCUFPXPIZILFX-KRWDZBQOSA-N 0 3 299.374 2.282 20 30 CEEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2COC[C@H]2OCC)cc1 ZINC000834902886 637982386 /nfs/dbraw/zinc/98/23/86/637982386.db2.gz DRTWOXPHQMZDLV-KBRIMQKVSA-N 0 3 289.375 2.153 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCOc2cc(F)ccc21 ZINC000876667775 650389745 /nfs/dbraw/zinc/38/97/45/650389745.db2.gz MSLBZFVQTVXSBS-SNVBAGLBSA-N 0 3 284.718 2.021 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)CCSC ZINC000876673677 650393729 /nfs/dbraw/zinc/39/37/29/650393729.db2.gz POUIGDSPHXFVEE-VHSXEESVSA-N 0 3 264.822 2.056 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C ZINC000876680497 650396456 /nfs/dbraw/zinc/39/64/56/650396456.db2.gz DSLJVIJEZVIICQ-FZMZJTMJSA-N 0 3 278.783 2.430 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1COc2ccc(C)cc21 ZINC000876689406 650401209 /nfs/dbraw/zinc/40/12/09/650401209.db2.gz YISYFIPLPTTXAF-NWDGAFQWSA-N 0 3 280.755 2.015 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](CCC)C1 ZINC000876687205 650399747 /nfs/dbraw/zinc/39/97/47/650399747.db2.gz GFZUXLKBXLUUAK-NWDGAFQWSA-N 0 3 258.793 2.495 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000911202035 638258422 /nfs/dbraw/zinc/25/84/22/638258422.db2.gz TZYRMZFFWYWDAV-BOXZVXIZSA-N 0 3 289.423 2.259 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N(CC)CC)nc1 ZINC000876719858 650409733 /nfs/dbraw/zinc/40/97/33/650409733.db2.gz XCFOBNFBIQMDSE-GFCCVEGCSA-N 0 3 296.802 2.336 20 30 CEEDHN CCCCCCCC[C@@H](N)C(=O)NC[C@@H]1CCCO1 ZINC000911894241 638458390 /nfs/dbraw/zinc/45/83/90/638458390.db2.gz CZAIBAZSUGAEQT-UONOGXRCSA-N 0 3 270.417 2.360 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)CCC(C)C ZINC000836203788 638572621 /nfs/dbraw/zinc/57/26/21/638572621.db2.gz UAFGSQSKVKQDHJ-CQSZACIVSA-N 0 3 267.417 2.065 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCCOc1ccccc1 ZINC000912136563 638576591 /nfs/dbraw/zinc/57/65/91/638576591.db2.gz KICQXRNQDBPSPM-HNNXBMFYSA-N 0 3 276.380 2.255 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1cccc(OC)c1OC ZINC000912276062 638637864 /nfs/dbraw/zinc/63/78/64/638637864.db2.gz VRQPHEFYOZKDDT-CYBMUJFWSA-N 0 3 292.379 2.004 20 30 CEEDHN C[Si](C)(C)C#CCCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000912330232 638641251 /nfs/dbraw/zinc/64/12/51/638641251.db2.gz KKWSHKISGRARAK-HNNXBMFYSA-N 0 3 292.499 2.390 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](C)CC(C)(C)C1 ZINC000836490255 638649707 /nfs/dbraw/zinc/64/97/07/638649707.db2.gz PSTRDSKSTUZAFD-CQSZACIVSA-N 0 3 279.428 2.019 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1cccc(OCC)c1 ZINC000912327947 638653449 /nfs/dbraw/zinc/65/34/49/638653449.db2.gz LVIICCRJUSMIGY-OAHLLOKOSA-N 0 3 276.380 2.385 20 30 CEEDHN CN(C)[C@H](CNC(=O)C#CC(C)(C)C)Cc1ccccc1 ZINC000837316072 639181456 /nfs/dbraw/zinc/18/14/56/639181456.db2.gz DHRIGJJIKSJMNF-INIZCTEOSA-N 0 3 286.419 2.325 20 30 CEEDHN CN(C)CCN(C(=O)C#CC(C)(C)C)C1CCCC1 ZINC000837414004 639219909 /nfs/dbraw/zinc/21/99/09/639219909.db2.gz MXCFMZFHFAJXMH-UHFFFAOYSA-N 0 3 264.413 2.369 20 30 CEEDHN O=C(C#CC1CC1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000837418491 639222367 /nfs/dbraw/zinc/22/23/67/639222367.db2.gz ISXMNMPXADPBMZ-KRWDZBQOSA-N 0 3 282.387 2.181 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000876550133 639296075 /nfs/dbraw/zinc/29/60/75/639296075.db2.gz PXGVDPZBYOOTHT-NUGNTBJXSA-N 0 3 258.793 2.397 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](OC2CCC2)C1 ZINC000876953261 650503482 /nfs/dbraw/zinc/50/34/82/650503482.db2.gz LHDAMSCHDMWBHK-STQMWFEESA-N 0 3 286.803 2.016 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C1CC1)C1CC1 ZINC000876973700 650513848 /nfs/dbraw/zinc/51/38/48/650513848.db2.gz NNQMHFHBXKHTDG-NSHDSACASA-N 0 3 256.777 2.151 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccn(C)c3C)CCC[C@@H]12 ZINC000992189372 639984375 /nfs/dbraw/zinc/98/43/75/639984375.db2.gz NLQMCAVYMRGURY-SJLPKXTDSA-N 0 3 299.418 2.084 20 30 CEEDHN N#CC[C@@H](O)CN1CCC(OCC2CCCCC2)CC1 ZINC000929718429 640033168 /nfs/dbraw/zinc/03/31/68/640033168.db2.gz OPHVEAXXQFUPEM-OAHLLOKOSA-N 0 3 280.412 2.322 20 30 CEEDHN CSCCCNCc1cc(C#N)cnc1Cl ZINC000877053344 650549795 /nfs/dbraw/zinc/54/97/95/650549795.db2.gz KSFBEYYEGPJCLZ-UHFFFAOYSA-N 0 3 255.774 2.449 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCC(=O)C1 ZINC000842676877 640147159 /nfs/dbraw/zinc/14/71/59/640147159.db2.gz PBLYJGDJRXAATO-ZYHUDNBSSA-N 0 3 281.315 2.119 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)CCC[C@@H]12 ZINC000992551519 640172994 /nfs/dbraw/zinc/17/29/94/640172994.db2.gz SJXXIZKZYJOEAL-ONUXDVOWSA-N 0 3 298.430 2.025 20 30 CEEDHN N#CC(C(=O)C[C@@H]1CSCCS1)c1ccccn1 ZINC000152261118 640192797 /nfs/dbraw/zinc/19/27/97/640192797.db2.gz MUELHXUXZLWEBW-GHMZBOCLSA-N 0 3 278.402 2.497 20 30 CEEDHN CC[C@@H](C)OCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000152299640 640202961 /nfs/dbraw/zinc/20/29/61/640202961.db2.gz YRJOZAFAUZPGMA-TZMCWYRMSA-N 0 3 288.347 2.458 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc[nH]2)[C@@H]1C ZINC000993009868 640401843 /nfs/dbraw/zinc/40/18/43/640401843.db2.gz LDLYGBHLHAVQKW-QWHCGFSZSA-N 0 3 261.369 2.174 20 30 CEEDHN C#CC1CCN(Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000843427302 640426778 /nfs/dbraw/zinc/42/67/78/640426778.db2.gz ZCWAYAWRTSDQKF-UHFFFAOYSA-N 0 3 286.400 2.445 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001015556936 640459086 /nfs/dbraw/zinc/45/90/86/640459086.db2.gz MYFFEKGBSUBWSY-UONOGXRCSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001015556934 640459359 /nfs/dbraw/zinc/45/93/59/640459359.db2.gz MYFFEKGBSUBWSY-KBPBESRZSA-N 0 3 262.397 2.027 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2CCOCC2)[C@@H]1C ZINC000993125247 640464235 /nfs/dbraw/zinc/46/42/35/640464235.db2.gz PCDJELFAICVXIX-HOCLYGCPSA-N 0 3 294.439 2.348 20 30 CEEDHN C[C@@H](CO)CCCNCc1cc(C#N)cnc1Cl ZINC000877127262 650584867 /nfs/dbraw/zinc/58/48/67/650584867.db2.gz CIAXLGCPZJCYBD-SNVBAGLBSA-N 0 3 267.760 2.105 20 30 CEEDHN C=C[C@@H](C)ONC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000844283788 640657172 /nfs/dbraw/zinc/65/71/72/640657172.db2.gz GONGBLSEBNJZAM-UKRRQHHQSA-N 0 3 289.379 2.066 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(F)c[nH]2)[C@H]1C ZINC000993606441 640659034 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RHIYBJWVMHHUPK-GFCCVEGCSA-N 0 3 277.343 2.409 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cc(C3CC3)no2)CC1 ZINC001006067963 643689760 /nfs/dbraw/zinc/68/97/60/643689760.db2.gz LIABKEDPVJQJET-UHFFFAOYSA-N 0 3 289.379 2.274 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C2=CCCC2)CC1 ZINC001016570941 643796974 /nfs/dbraw/zinc/79/69/74/643796974.db2.gz AJGOOVSBKQPHDG-HNNXBMFYSA-N 0 3 272.392 2.091 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2sccc2OC)CC1 ZINC001006318279 643811772 /nfs/dbraw/zinc/81/17/72/643811772.db2.gz DHBXBDRIAVFXAI-UHFFFAOYSA-N 0 3 294.420 2.479 20 30 CEEDHN C#C[C@H](CC)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000854070845 643976786 /nfs/dbraw/zinc/97/67/86/643976786.db2.gz SLZFJUMYTAFOOP-CQSZACIVSA-N 0 3 279.428 2.162 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(OCC)c1 ZINC000838624285 643981111 /nfs/dbraw/zinc/98/11/11/643981111.db2.gz PXDODUMYGNAOTL-UHFFFAOYSA-N 0 3 289.379 2.162 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(CCC1CC1)CC1CC1 ZINC000854092069 643983426 /nfs/dbraw/zinc/98/34/26/643983426.db2.gz JAGYBGHELOIFGU-UHFFFAOYSA-N 0 3 291.439 2.163 20 30 CEEDHN C=CCONC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000838702768 643995207 /nfs/dbraw/zinc/99/52/07/643995207.db2.gz CILFSYUVXPTIIJ-HIFRSBDPSA-N 0 3 289.379 2.239 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)C1CC1 ZINC000838799675 644015345 /nfs/dbraw/zinc/01/53/45/644015345.db2.gz VCXKBAIAVNKMKV-MRXNPFEDSA-N 0 3 261.365 2.454 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)Cc1ccccc1 ZINC000112149014 644034914 /nfs/dbraw/zinc/03/49/14/644034914.db2.gz WJPZGGXQNUJFIV-TZMCWYRMSA-N 0 3 272.348 2.099 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Cc1ccccc1CC#N ZINC000855163585 644262715 /nfs/dbraw/zinc/26/27/15/644262715.db2.gz DDMCRSKVHHEKNA-MRXNPFEDSA-N 0 3 299.418 2.284 20 30 CEEDHN C#CC(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000753963884 644304428 /nfs/dbraw/zinc/30/44/28/644304428.db2.gz VYTUCJGMTHPLJS-ZBFHGGJFSA-N 0 3 270.376 2.304 20 30 CEEDHN C#CCCCCCC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000855361484 644318390 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645090808 /nfs/dbraw/zinc/09/08/08/645090808.db2.gz HKTUHEWGVWKVCZ-ZDUSSCGKSA-N 0 3 271.364 2.096 20 30 CEEDHN CO[C@H]1C[C@@H](CN2CCN(c3ccccc3C#N)CC2)C1 ZINC000878029815 650978450 /nfs/dbraw/zinc/97/84/50/650978450.db2.gz PWJPBWFHNWXDID-FZNQNYSPSA-N 0 3 285.391 2.105 20 30 CEEDHN C#CCCOC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000858903262 645289961 /nfs/dbraw/zinc/28/99/61/645289961.db2.gz OSPLXMNWZWWHBS-UHFFFAOYSA-N 0 3 299.374 2.082 20 30 CEEDHN C=CC[C@@H](C)N(C)CC(=O)NCc1cccs1 ZINC000878101097 650998358 /nfs/dbraw/zinc/99/83/58/650998358.db2.gz LPBMBNYKDUZDMS-LLVKDONJSA-N 0 3 252.383 2.261 20 30 CEEDHN C[C@@H]1CC(N=Nc2nncc3ccccc32)CN1C ZINC000761792753 645316990 /nfs/dbraw/zinc/31/69/90/645316990.db2.gz GFYWISSZVLXYCX-SNVBAGLBSA-N 0 3 255.325 2.122 20 30 CEEDHN C#CCCOC(=O)N(CCC)CCN1CCCCC1 ZINC000859157078 645392993 /nfs/dbraw/zinc/39/29/93/645392993.db2.gz QCYOXWIULBFJNO-UHFFFAOYSA-N 0 3 266.385 2.344 20 30 CEEDHN Cc1ccccc1[C@H](C)CC(=O)C(C#N)C(=O)NC1CC1 ZINC000116592739 645395507 /nfs/dbraw/zinc/39/55/07/645395507.db2.gz BMIWMBGJIVUWMN-DOMZBBRYSA-N 0 3 284.359 2.476 20 30 CEEDHN CC(C)OC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000763411112 645543841 /nfs/dbraw/zinc/54/38/41/645543841.db2.gz PUYCTXNQKFRTBQ-QGZVFWFLSA-N 0 3 288.391 2.481 20 30 CEEDHN CCCCCCCCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000763564165 645558325 /nfs/dbraw/zinc/55/83/25/645558325.db2.gz NNEOPOSDEQTWHS-INIZCTEOSA-N 0 3 295.471 2.243 20 30 CEEDHN CN(Cc1cc(Cl)ccc1OCC#N)C[C@H]1C[C@@H](O)C1 ZINC000859966594 645665796 /nfs/dbraw/zinc/66/57/96/645665796.db2.gz LJMJMBWAQSVJGH-VDISTLRHSA-N 0 3 294.782 2.445 20 30 CEEDHN C#CCNC(=O)CNC(C)(C)c1ccc2ccccc2c1 ZINC000860074354 645693724 /nfs/dbraw/zinc/69/37/24/645693724.db2.gz ZUTZBDQOHDDFIC-UHFFFAOYSA-N 0 3 280.371 2.414 20 30 CEEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000860101115 645700877 /nfs/dbraw/zinc/70/08/77/645700877.db2.gz SHZBSHVNGLABMG-GFCCVEGCSA-N 0 3 272.389 2.034 20 30 CEEDHN CCO[C@H](C(=O)C(C#N)c1cc(C)nc(C)n1)C1CC1 ZINC000860466777 645798831 /nfs/dbraw/zinc/79/88/31/645798831.db2.gz WXOZGVXZVSFNSJ-DOMZBBRYSA-N 0 3 273.336 2.085 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000860464288 645798918 /nfs/dbraw/zinc/79/89/18/645798918.db2.gz SOJXPGDXXGRFDT-UPJWGTAASA-N 0 3 288.347 2.398 20 30 CEEDHN Cc1cc(CNC2COC(C)(C)OC2)ccc1C#N ZINC000767685670 646028123 /nfs/dbraw/zinc/02/81/23/646028123.db2.gz XLDSCPCINFAMPO-UHFFFAOYSA-N 0 3 260.337 2.108 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)OC[C@]1(C)C[C@@H](OC)CN1C ZINC000861346946 646137672 /nfs/dbraw/zinc/13/76/72/646137672.db2.gz DOBYBZHYBPJHPD-GUTXKFCHSA-N 0 3 269.385 2.241 20 30 CEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H](F)c1ccccc1 ZINC000769292749 646237477 /nfs/dbraw/zinc/23/74/77/646237477.db2.gz KDYRQTQGDXOXNI-GXTWGEPZSA-N 0 3 297.289 2.440 20 30 CEEDHN CCN(C(=O)CCCCC#N)C1CCN(C)CC1 ZINC000861891126 646292449 /nfs/dbraw/zinc/29/24/49/646292449.db2.gz TXHZXZPYJFAMDM-UHFFFAOYSA-N 0 3 251.374 2.013 20 30 CEEDHN N#CCC[C@H](C#N)CNC1CCC(O)(c2cccnc2)CC1 ZINC000769841770 646325472 /nfs/dbraw/zinc/32/54/72/646325472.db2.gz GHMBJAWOXNEDLT-ODIFPOPNSA-N 0 3 298.390 2.245 20 30 CEEDHN C#C[C@@H](NCc1ccnc(F)c1C)C1CCOCC1 ZINC000862418711 646452545 /nfs/dbraw/zinc/45/25/45/646452545.db2.gz KSKHOHMOCROAAE-CQSZACIVSA-N 0 3 262.328 2.047 20 30 CEEDHN CC(C)(C)C#CC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000863032160 646618484 /nfs/dbraw/zinc/61/84/84/646618484.db2.gz MIHHFCCPCQGXHD-AWEZNQCLSA-N 0 3 262.397 2.169 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1ccco1 ZINC000772641861 646653645 /nfs/dbraw/zinc/65/36/45/646653645.db2.gz AQHRFEIIRMMHQI-ZDUSSCGKSA-N 0 3 276.336 2.227 20 30 CEEDHN COCC#CCN[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000775270855 646936319 /nfs/dbraw/zinc/93/63/19/646936319.db2.gz CCOZFGSQYXWKEH-AWEZNQCLSA-N 0 3 286.375 2.114 20 30 CEEDHN C#C[C@@H](NCc1cccc2[nH]ccc21)[C@H]1CCCO1 ZINC000775343317 646943616 /nfs/dbraw/zinc/94/36/16/646943616.db2.gz WBGBOADBYNGXCG-GDBMZVCRSA-N 0 3 254.333 2.438 20 30 CEEDHN C#C[C@H](N[C@@H](COC)Cc1ccccc1)[C@H]1CCCO1 ZINC000775571884 646967096 /nfs/dbraw/zinc/96/70/96/646967096.db2.gz MAGRPLVIXMLHGU-IXDOHACOSA-N 0 3 273.376 2.015 20 30 CEEDHN C#C[C@H](N[C@H](C)c1cc(OC)ccc1O)[C@H]1CCCO1 ZINC000775572453 646967118 /nfs/dbraw/zinc/96/71/18/646967118.db2.gz AUKWDTDYJJOWKK-DIOULYMOSA-N 0 3 275.348 2.232 20 30 CEEDHN C#C[C@H](NCCOc1ccc(C)cc1)[C@H]1CCCO1 ZINC000775790768 646992611 /nfs/dbraw/zinc/99/26/11/646992611.db2.gz ITYSYPXFIXIIBZ-JKSUJKDBSA-N 0 3 259.349 2.144 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC000865192672 647202252 /nfs/dbraw/zinc/20/22/52/647202252.db2.gz CBBWUKTYVUSAAI-ZIAGYGMSSA-N 0 3 264.413 2.435 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)CC1 ZINC000865193966 647202778 /nfs/dbraw/zinc/20/27/78/647202778.db2.gz QIQGFXSLUAPPOQ-SPWCGHHHSA-N 0 3 262.397 2.045 20 30 CEEDHN C=CCN1CCC(Nc2ccc(N3CCCC3)nn2)CC1 ZINC000865521812 647338160 /nfs/dbraw/zinc/33/81/60/647338160.db2.gz HIROBMBZJMKCAP-UHFFFAOYSA-N 0 3 287.411 2.139 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CNCC1=CCOCC1 ZINC000865584465 647371830 /nfs/dbraw/zinc/37/18/30/647371830.db2.gz TUNFVGNTNYDOPE-UHFFFAOYSA-N 0 3 271.364 2.061 20 30 CEEDHN CCCC[C@@H](ON=C(C)C)C(=O)NC[C@H]1CCCN1C ZINC000780980137 647487496 /nfs/dbraw/zinc/48/74/96/647487496.db2.gz MNEUJRMAQWACNL-ZIAGYGMSSA-N 0 3 283.416 2.168 20 30 CEEDHN COC[C@H](Cc1ccccc1)NCc1ccc(C#N)cn1 ZINC000783299981 647706903 /nfs/dbraw/zinc/70/69/03/647706903.db2.gz HIZDHSTUPMZKSB-KRWDZBQOSA-N 0 3 281.359 2.301 20 30 CEEDHN COc1cccc(C[C@@H](C)NCc2ccc(C#N)cn2)n1 ZINC000783301100 647707267 /nfs/dbraw/zinc/70/72/67/647707267.db2.gz SYKPEMBQZVNHHT-GFCCVEGCSA-N 0 3 282.347 2.078 20 30 CEEDHN C#CCOc1cccc(OC(=O)C2CCN(C3CC3)CC2)c1 ZINC000783337889 647708939 /nfs/dbraw/zinc/70/89/39/647708939.db2.gz RUGUFNBLPWYVOQ-UHFFFAOYSA-N 0 3 299.370 2.478 20 30 CEEDHN Cc1ccc([C@H](C)NCC(=O)NC2(C#N)CCC2)s1 ZINC000784346023 647839049 /nfs/dbraw/zinc/83/90/49/647839049.db2.gz GDCDPFQLGJARGI-NSHDSACASA-N 0 3 277.393 2.270 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC[C@@H]2CCSC2)CC1 ZINC000868284465 648089222 /nfs/dbraw/zinc/08/92/22/648089222.db2.gz VIZSCXVLSUVDJC-CYBMUJFWSA-N 0 3 297.468 2.079 20 30 CEEDHN C[C@H](CCC#N)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000787765391 648136858 /nfs/dbraw/zinc/13/68/58/648136858.db2.gz QUJVPKWCDJPMLL-NEPJUHHUSA-N 0 3 295.408 2.401 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000870139881 648711976 /nfs/dbraw/zinc/71/19/76/648711976.db2.gz DQRGXLMOKVDFLN-ZNMIVQPWSA-N 0 3 296.370 2.437 20 30 CEEDHN CC[C@@H](NC(C)=O)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000870224763 648734692 /nfs/dbraw/zinc/73/46/92/648734692.db2.gz KCXPEYAHOQMQBO-GHMZBOCLSA-N 0 3 293.392 2.357 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@H](O)CC[C@@H](C)CC)CC1 ZINC000793444644 648759980 /nfs/dbraw/zinc/75/99/80/648759980.db2.gz NALIDGMUJLFITM-GOEBONIOSA-N 0 3 296.455 2.330 20 30 CEEDHN C=C(CN(C)C)C(=O)N(Cc1ccccc1Cl)OC ZINC000794340693 648855949 /nfs/dbraw/zinc/85/59/49/648855949.db2.gz RFLCVTJCWBOEAQ-UHFFFAOYSA-N 0 3 282.771 2.348 20 30 CEEDHN N#Cc1cccc(CN[C@]23CCC[C@H]2OCC3)c1F ZINC000872314881 649354663 /nfs/dbraw/zinc/35/46/63/649354663.db2.gz GVLOBKYPMCJMMR-HIFRSBDPSA-N 0 3 260.312 2.499 20 30 CEEDHN C=CCCn1cc(CNCCC(C)(C)COC)nn1 ZINC000873152735 649571280 /nfs/dbraw/zinc/57/12/80/649571280.db2.gz HXEUMVKNFJJKPG-UHFFFAOYSA-N 0 3 266.389 2.007 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CCC(CCC(C)C)CC1 ZINC000124839516 649748732 /nfs/dbraw/zinc/74/87/32/649748732.db2.gz XKJFURREPGJMAU-AWEZNQCLSA-N 0 3 264.413 2.273 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)no2)CC1 ZINC000874436327 649774474 /nfs/dbraw/zinc/77/44/74/649774474.db2.gz BBJDAXNWEFPMEG-UHFFFAOYSA-N 0 3 283.759 2.098 20 30 CEEDHN C#C[C@@H](NC[C@@H](O)CCCCCC)[C@@H]1CCCO1 ZINC000878454182 651100718 /nfs/dbraw/zinc/10/07/18/651100718.db2.gz VBDUSLQGVNYYHN-ZNMIVQPWSA-N 0 3 253.386 2.088 20 30 CEEDHN COC(=O)C1(C#N)CCN(CC2CC3(CCC3)C2)CC1 ZINC000878677949 651161188 /nfs/dbraw/zinc/16/11/88/651161188.db2.gz OOCZGUUYTNUSIC-UHFFFAOYSA-N 0 3 276.380 2.345 20 30 CEEDHN N#CC[C@]1(O)CCN(CC[C@@H]2CCCC2(F)F)C1 ZINC000878761149 651180915 /nfs/dbraw/zinc/18/09/15/651180915.db2.gz HFWJXXHTGUBWGY-RYUDHWBXSA-N 0 3 258.312 2.162 20 30 CEEDHN CC#CCCN1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000879225410 651264687 /nfs/dbraw/zinc/26/46/87/651264687.db2.gz CDUOVHIDVXDLIQ-QWHCGFSZSA-N 0 3 266.385 2.387 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)o1 ZINC000879418797 651300604 /nfs/dbraw/zinc/30/06/04/651300604.db2.gz KMDITFPHQIECTH-ILXRZTDVSA-N 0 3 260.337 2.277 20 30 CEEDHN COCCN(CC#Cc1ccccc1)C1CCOCC1 ZINC000879709290 651342251 /nfs/dbraw/zinc/34/22/51/651342251.db2.gz KRRYXHKOLNWIOM-UHFFFAOYSA-N 0 3 273.376 2.166 20 30 CEEDHN CC(C)CC(=O)N1CCCN(CCCCC#N)CC1 ZINC000879759288 651348384 /nfs/dbraw/zinc/34/83/84/651348384.db2.gz FEIYKJRDTZVWOG-UHFFFAOYSA-N 0 3 265.401 2.261 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@@]1(C)c1ccccc1 ZINC000880370949 651430852 /nfs/dbraw/zinc/43/08/52/651430852.db2.gz XKQHJLSUJNRPRQ-INIZCTEOSA-N 0 3 258.365 2.300 20 30 CEEDHN N#CCCOCCN[C@@H](Cn1ccnc1)c1ccccc1 ZINC000880569799 651462333 /nfs/dbraw/zinc/46/23/33/651462333.db2.gz PDGVMJIAGJWXQO-INIZCTEOSA-N 0 3 284.363 2.144 20 30 CEEDHN COCCN1[C@H](C)CN(Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000129728578 652137485 /nfs/dbraw/zinc/13/74/85/652137485.db2.gz WBGMSXSTQMPQEJ-GASCZTMLSA-N 0 3 287.407 2.099 20 30 CEEDHN CCN1CC[C@H]1CNc1ccc(C#N)cc1COC ZINC000882958959 652290381 /nfs/dbraw/zinc/29/03/81/652290381.db2.gz PJZUAVKSTLSSMF-AWEZNQCLSA-N 0 3 259.353 2.211 20 30 CEEDHN C=CCNC(=O)CNCc1c(C)cc(C)c(COC)c1C ZINC000883084574 652359466 /nfs/dbraw/zinc/35/94/66/652359466.db2.gz WHOOAGFJUKSTAC-UHFFFAOYSA-N 0 3 290.407 2.150 20 30 CEEDHN C#CC[C@H](CO)NCc1ccc(OC(F)F)c(OCC)c1 ZINC000883123285 652369391 /nfs/dbraw/zinc/36/93/91/652369391.db2.gz STYXGTVGRGOULC-GFCCVEGCSA-N 0 3 299.317 2.161 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@]2(C)CC2(C)C)CC1 ZINC000883343501 652436670 /nfs/dbraw/zinc/43/66/70/652436670.db2.gz PJKVOWBNOOXCDC-MRXNPFEDSA-N 0 3 279.428 2.372 20 30 CEEDHN C#CC1(NCc2cnn(CC(F)F)c2)CCCC1 ZINC000883361906 652444069 /nfs/dbraw/zinc/44/40/69/652444069.db2.gz OPPFHGJCENFRHY-UHFFFAOYSA-N 0 3 253.296 2.184 20 30 CEEDHN C[C@H]1Cc2ccccc2N1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884044161 652654363 /nfs/dbraw/zinc/65/43/63/652654363.db2.gz XCWMEQWAJWXXJE-MNSPSGFLSA-N 0 3 295.386 2.104 20 30 CEEDHN N#C[C@@H]1CNCC12CC(C(=O)NC1CCCCCCC1)C2 ZINC000884047504 652658224 /nfs/dbraw/zinc/65/82/24/652658224.db2.gz XOXRDAYGPQRJHM-XOYHFGRZSA-N 0 3 289.423 2.355 20 30 CEEDHN C[C@@H]1CCCC[C@H]1CNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884102670 652709430 /nfs/dbraw/zinc/70/94/30/652709430.db2.gz JLCWYHWHJVNJES-GMILMZFISA-N 0 3 289.423 2.068 20 30 CEEDHN CC(C)(C)CCCNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884150763 652731159 /nfs/dbraw/zinc/73/11/59/652731159.db2.gz VMVMLCQHUYREKB-UYJPIKCFSA-N 0 3 277.412 2.068 20 30 CEEDHN CC(C)C1CCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884156984 652732654 /nfs/dbraw/zinc/73/26/54/652732654.db2.gz QGYKMGQMRWURTQ-CKDBGZEDSA-N 0 3 289.423 2.020 20 30 CEEDHN CC1CCC(CNC(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC000884287785 652780978 /nfs/dbraw/zinc/78/09/78/652780978.db2.gz LWODZOMHOSAJCV-UZZMVUAXSA-N 0 3 289.423 2.068 20 30 CEEDHN CC(C)N(CC1CCC1)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884335189 652799486 /nfs/dbraw/zinc/79/94/86/652799486.db2.gz MQZSHRCYKLNVGM-ISXOHVOVSA-N 0 3 289.423 2.163 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccoc2C)[C@H]1CC ZINC001087497188 805585472 /nfs/dbraw/zinc/58/54/72/805585472.db2.gz AIUTZAKNMBHKAC-UONOGXRCSA-N 0 3 262.353 2.357 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)C[C@@H]2C=CCC2)[C@H]1CC ZINC001087497116 805585779 /nfs/dbraw/zinc/58/57/79/805585779.db2.gz XYCWJHVHUPQDIY-OWCLPIDISA-N 0 3 274.408 2.335 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccnc(F)c2)[C@H]1CC ZINC001087517393 805659984 /nfs/dbraw/zinc/65/99/84/805659984.db2.gz UYZXSIRLZBTEFE-UONOGXRCSA-N 0 3 291.370 2.380 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ocnc2C)[C@H]1CC ZINC001087532746 805686351 /nfs/dbraw/zinc/68/63/51/805686351.db2.gz YHJDBQBCEIKACN-QWHCGFSZSA-N 0 3 277.368 2.142 20 30 CEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccoc2)C1 ZINC001270932704 805693069 /nfs/dbraw/zinc/69/30/69/805693069.db2.gz PCAYKSNYQDYUIC-HNNXBMFYSA-N 0 3 262.353 2.298 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C[C@@H]2C1 ZINC001088037368 805886147 /nfs/dbraw/zinc/88/61/47/805886147.db2.gz ITIPUONKVANHSG-QKPAOTATSA-N 0 3 288.435 2.082 20 30 CEEDHN CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001271247409 805902160 /nfs/dbraw/zinc/90/21/60/805902160.db2.gz RGZPIJSCFCYSQT-CQSZACIVSA-N 0 3 288.391 2.150 20 30 CEEDHN N#Cc1ccc([O-])c(OC2CC[NH+](C3CC3)CC2)c1 ZINC001227349127 805911345 /nfs/dbraw/zinc/91/13/45/805911345.db2.gz FASUVQHPNXZOCV-UHFFFAOYSA-N 0 3 258.321 2.269 20 30 CEEDHN C=CCN1CC[C@H](OCC2CCN(C(=O)C(C)C)CC2)C1 ZINC001088229104 805973085 /nfs/dbraw/zinc/97/30/85/805973085.db2.gz JBTDSXXNFOOPCJ-INIZCTEOSA-N 0 3 294.439 2.158 20 30 CEEDHN C#CCOCCN(CCCC(=O)OC)Cc1ccccc1 ZINC001168072976 806054692 /nfs/dbraw/zinc/05/46/92/806054692.db2.gz FFTSKJQBPGWJAQ-UHFFFAOYSA-N 0 3 289.375 2.092 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H](C)C#N)C1 ZINC001088280027 806081226 /nfs/dbraw/zinc/08/12/26/806081226.db2.gz HNQDGNMVVGXVAD-WCQYABFASA-N 0 3 283.803 2.259 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](C)[C@@H](C)C(C)(C)C)C[C@@H]2C1 ZINC001271887919 806129862 /nfs/dbraw/zinc/12/98/62/806129862.db2.gz UVOBALKKAHBDNZ-FPCVCCKLSA-N 0 3 290.451 2.328 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCCC2)[C@H]1C ZINC001088441256 806221131 /nfs/dbraw/zinc/22/11/31/806221131.db2.gz UBWYIIBAYMGEBC-OCCSQVGLSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[C@H]1C ZINC001088508237 806332211 /nfs/dbraw/zinc/33/22/11/806332211.db2.gz UNOWETIZPVYLOV-MRLBHPIUSA-N 0 3 262.397 2.188 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccn4c3CCCC4)[C@@H]2C1 ZINC001075895400 806395302 /nfs/dbraw/zinc/39/53/02/806395302.db2.gz IPRVEVZJELYXDI-WMLDXEAASA-N 0 3 299.418 2.157 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)[C@H]1C ZINC001088576651 806473842 /nfs/dbraw/zinc/47/38/42/806473842.db2.gz BSJADAVDZMILPZ-UGUYLWEFSA-N 0 3 294.439 2.203 20 30 CEEDHN CCOCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000127784248 806544073 /nfs/dbraw/zinc/54/40/73/806544073.db2.gz CCJIAHZTPHSQQE-CQSZACIVSA-N 0 3 288.347 2.459 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)[C@H]1C ZINC001088757392 806702338 /nfs/dbraw/zinc/70/23/38/806702338.db2.gz WTZUJVCLNYOLJZ-UNQGMJICSA-N 0 3 262.397 2.188 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)[C@H]1C ZINC001088764258 806709883 /nfs/dbraw/zinc/70/98/83/806709883.db2.gz SEHRQQSUOVOIDT-UUAJXVIYSA-N 0 3 288.435 2.415 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)[C@@H]2C1 ZINC001076220973 806826679 /nfs/dbraw/zinc/82/66/79/806826679.db2.gz ZOANKHKVPPVOSJ-LXTVHRRPSA-N 0 3 262.397 2.141 20 30 CEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3occc3Cl)[C@@H]2C1 ZINC001076213934 806826095 /nfs/dbraw/zinc/82/60/95/806826095.db2.gz LOAZXMLGPJNCEJ-WCQYABFASA-N 0 3 292.766 2.103 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C2CCC(F)CC2)[C@H]1C ZINC001088835785 806873403 /nfs/dbraw/zinc/87/34/03/806873403.db2.gz OFZRIFCBUVIRBH-RYSNWHEDSA-N 0 3 268.376 2.280 20 30 CEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C3(CF)CC3)C2)C1 ZINC001040388741 806914680 /nfs/dbraw/zinc/91/46/80/806914680.db2.gz PHMTWDSLXSHSCK-MRXNPFEDSA-N 0 3 292.398 2.074 20 30 CEEDHN C=CCCCN1CCc2ncc(C(=O)OC)cc2C1 ZINC001209165348 802480403 /nfs/dbraw/zinc/48/04/03/802480403.db2.gz RBBPTVAVCZLNHK-UHFFFAOYSA-N 0 3 260.337 2.193 20 30 CEEDHN C#CCCCN1CCN(c2ccccc2C(=O)OC)CC1 ZINC001209265791 802492520 /nfs/dbraw/zinc/49/25/20/802492520.db2.gz BLYGSPRBWIMRMR-UHFFFAOYSA-N 0 3 286.375 2.009 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)/C=C/c2ccc[nH]2)CC1 ZINC001266371260 802500729 /nfs/dbraw/zinc/50/07/29/802500729.db2.gz VMZAWRNBBUFKCA-FYCOFBDGSA-N 0 3 297.402 2.022 20 30 CEEDHN C=CCOCCN1CCC(N(CCC)C(=O)CC)CC1 ZINC001266382527 802509128 /nfs/dbraw/zinc/50/91/28/802509128.db2.gz RNXOKHZQMWHVMF-UHFFFAOYSA-N 0 3 282.428 2.302 20 30 CEEDHN C=CCCCCCN1CC(N(C)[C@H]2CCOC2)C1 ZINC001209428543 802523546 /nfs/dbraw/zinc/52/35/46/802523546.db2.gz KQDHUORCMZOTNR-AWEZNQCLSA-N 0 3 252.402 2.138 20 30 CEEDHN C=CCCCCCN1CC(N(C)[C@@H]2CCOC2)C1 ZINC001209428544 802523636 /nfs/dbraw/zinc/52/36/36/802523636.db2.gz KQDHUORCMZOTNR-CQSZACIVSA-N 0 3 252.402 2.138 20 30 CEEDHN C=CCN(CC)CCNC(=O)c1ncccc1OC(C)C ZINC001266434801 802573262 /nfs/dbraw/zinc/57/32/62/802573262.db2.gz OQENNGKJOZBYJH-UHFFFAOYSA-N 0 3 291.395 2.107 20 30 CEEDHN CO[C@@H]1CCN(Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140111018 802606430 /nfs/dbraw/zinc/60/64/30/802606430.db2.gz WUUPLGDAVDWFLF-CYBMUJFWSA-N 0 3 255.321 2.260 20 30 CEEDHN COc1cccc([C@@H](O)CN2CCC(CC#N)CC2)c1 ZINC000397305689 802608398 /nfs/dbraw/zinc/60/83/98/802608398.db2.gz QQLKWBGFHWUJTH-INIZCTEOSA-N 0 3 274.364 2.354 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)Cc1occc1C ZINC001266480119 802624950 /nfs/dbraw/zinc/62/49/50/802624950.db2.gz KJJWJAFGKLWNPN-CQSZACIVSA-N 0 3 276.380 2.287 20 30 CEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccoc2)C1 ZINC001039186622 802675243 /nfs/dbraw/zinc/67/52/43/802675243.db2.gz MJBHGBZRLNPSRD-GDBMZVCRSA-N 0 3 286.375 2.229 20 30 CEEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H](C)c2ccccc2F)C1 ZINC001266554612 802712228 /nfs/dbraw/zinc/71/22/28/802712228.db2.gz ARFLOSXODNAYFB-KBPBESRZSA-N 0 3 288.366 2.143 20 30 CEEDHN C#CCCN1CC[C@]2(C1)C[C@H](NC(C)=O)c1ccccc1O2 ZINC001098542261 802721269 /nfs/dbraw/zinc/72/12/69/802721269.db2.gz XPMSGYDTJMMHSS-FUHWJXTLSA-N 0 3 298.386 2.114 20 30 CEEDHN C=CCC(C)(C)C(=O)NCCCN[C@H](C)c1cnccn1 ZINC001167363138 802736749 /nfs/dbraw/zinc/73/67/49/802736749.db2.gz OGDVMRRJZGDDDT-CYBMUJFWSA-N 0 3 290.411 2.236 20 30 CEEDHN C=CCN(CCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1CC1 ZINC001266592301 802750743 /nfs/dbraw/zinc/75/07/43/802750743.db2.gz OHLYZJCDIOYWNM-IJEWVQPXSA-N 0 3 274.408 2.355 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2cnoc2C)C1 ZINC001266616800 802783444 /nfs/dbraw/zinc/78/34/44/802783444.db2.gz KSVZISGMURFXSG-DZKIICNBSA-N 0 3 291.395 2.322 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCO1 ZINC001039340961 802829074 /nfs/dbraw/zinc/82/90/74/802829074.db2.gz CBHKOAKNYPXAPN-PMPSAXMXSA-N 0 3 292.423 2.197 20 30 CEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)C2CCCC2)C1 ZINC001046913029 811835509 /nfs/dbraw/zinc/83/55/09/811835509.db2.gz RIHGNOMTAUHPFA-AWEZNQCLSA-N 0 3 298.377 2.273 20 30 CEEDHN C=CC(C)(C)C(=O)N(C)CCNCc1ccc(C)nc1C ZINC001266799948 802907093 /nfs/dbraw/zinc/90/70/93/802907093.db2.gz IZEMIOYGWOJFPQ-UHFFFAOYSA-N 0 3 289.423 2.459 20 30 CEEDHN N#Cc1csc(CN[C@@H]2CC[C@H]3COCC[C@@H]3C2)n1 ZINC000723654618 802918149 /nfs/dbraw/zinc/91/81/49/802918149.db2.gz HXIHAFWBMNDVBH-GRYCIOLGSA-N 0 3 277.393 2.310 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(C)CCC2)C1 ZINC001266893745 802975168 /nfs/dbraw/zinc/97/51/68/802975168.db2.gz DINJZBGRGXDSDB-UONOGXRCSA-N 0 3 262.397 2.027 20 30 CEEDHN CC#CCN[C@H](C)CNC(=O)Cc1coc2cc(C)ccc12 ZINC001266990783 803040504 /nfs/dbraw/zinc/04/05/04/803040504.db2.gz ADHFZDIYXZTSFJ-CQSZACIVSA-N 0 3 298.386 2.401 20 30 CEEDHN COc1ccc(CN(C)[C@@H]2CC[C@H]2OC)cc1C#N ZINC000724162815 803057416 /nfs/dbraw/zinc/05/74/16/803057416.db2.gz OIBSROCMAKJCHM-UKRRQHHQSA-N 0 3 260.337 2.176 20 30 CEEDHN COc1ccc(CN(C)[C@H]2CC[C@H]2OC)cc1C#N ZINC000724162813 803057966 /nfs/dbraw/zinc/05/79/66/803057966.db2.gz OIBSROCMAKJCHM-DZGCQCFKSA-N 0 3 260.337 2.176 20 30 CEEDHN N#Cc1ccc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)cn1 ZINC001140541754 803096671 /nfs/dbraw/zinc/09/66/71/803096671.db2.gz SNGKXNSCDUIJDD-TXEJJXNPSA-N 0 3 263.291 2.430 20 30 CEEDHN C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1[O-] ZINC001133723768 813143991 /nfs/dbraw/zinc/14/39/91/813143991.db2.gz YDMFXDPZYPHLTO-NEPJUHHUSA-N 0 3 262.353 2.065 20 30 CEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(CC)n2)C1 ZINC001267103731 803130687 /nfs/dbraw/zinc/13/06/87/803130687.db2.gz FCTULRAABBUVPF-MRXNPFEDSA-N 0 3 299.418 2.204 20 30 CEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](C)CC)C[C@H](C)O2 ZINC001098567976 803177435 /nfs/dbraw/zinc/17/74/35/803177435.db2.gz OXYGNAWTTWIIGB-CABCVRRESA-N 0 3 294.439 2.300 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001135177993 813378973 /nfs/dbraw/zinc/37/89/73/813378973.db2.gz OJWHYASHEKWACN-QWHCGFSZSA-N 0 3 252.402 2.034 20 30 CEEDHN C=CCN(C)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001267209588 803233603 /nfs/dbraw/zinc/23/36/03/803233603.db2.gz FGXPDVLSEFYCOI-MELADBBJSA-N 0 3 250.386 2.047 20 30 CEEDHN C#CCCN(C)CCNC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001267219752 803244903 /nfs/dbraw/zinc/24/49/03/803244903.db2.gz ZUTPRPQKERAHBN-GJZGRUSLSA-N 0 3 276.424 2.274 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)CC3CCCC3)C[C@]2(C)C1 ZINC001091450586 814246878 /nfs/dbraw/zinc/24/68/78/814246878.db2.gz RBXVOLGXWDYOKV-AEFFLSMTSA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](C)c1ccc(C)o1 ZINC001267278894 803324166 /nfs/dbraw/zinc/32/41/66/803324166.db2.gz STTCYYUWJZNUOB-KGLIPLIRSA-N 0 3 276.380 2.458 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccncc1 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C#CCCN1CC[C@@H](NC(=O)C2(CC(C)C)CCC2)C1 ZINC001267744497 803698974 /nfs/dbraw/zinc/69/89/74/803698974.db2.gz FRPGDSSXCGDCKG-OAHLLOKOSA-N 0 3 276.424 2.417 20 30 CEEDHN C=CCN1CC[C@H](N(CC)C(=O)CCCOC(C)C)C1 ZINC001267794596 803738556 /nfs/dbraw/zinc/73/85/56/803738556.db2.gz PXSFBXQMUAKUSL-HNNXBMFYSA-N 0 3 282.428 2.300 20 30 CEEDHN CC[C@@H](CNC(=O)C#CC(C)C)NCc1ccccc1F ZINC001267803423 803744251 /nfs/dbraw/zinc/74/42/51/803744251.db2.gz RKCWZEFPNQGEIA-HNNXBMFYSA-N 0 3 290.382 2.470 20 30 CEEDHN CC(C)C[C@H]([NH2+][C@H]1CCc2c(F)cccc2C1)C(=O)N[O-] ZINC001171417616 814964896 /nfs/dbraw/zinc/96/48/96/814964896.db2.gz CXQRXOJTLLSYLV-WFASDCNBSA-N 0 3 294.370 2.193 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(CCCOC)C1 ZINC001267969269 803862728 /nfs/dbraw/zinc/86/27/28/803862728.db2.gz GRLWJBFATDAXBA-CQSZACIVSA-N 0 3 282.428 2.206 20 30 CEEDHN C=C/C(C)=C\CC(=O)N1C[C@H](NCC#CC)C[C@H]1C ZINC001284004296 803910238 /nfs/dbraw/zinc/91/02/38/803910238.db2.gz QSPYFESAWRFYKH-CDWBCPPQSA-N 0 3 260.381 2.111 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2.174 20 30 CEEDHN N#CC(Cc1cccs1)C(=O)Nc1[nH]nc2cccnc21 ZINC001177903793 816639465 /nfs/dbraw/zinc/63/94/65/816639465.db2.gz KYOXGZBTXSDMCL-VIFPVBQESA-N 0 3 297.343 2.340 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)CCc1ccnc(C)c1 ZINC001142256878 816650045 /nfs/dbraw/zinc/65/00/45/816650045.db2.gz WFLRBKXGVKFXII-INIZCTEOSA-N 0 3 287.407 2.089 20 30 CEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCCF)[C@@H]1C ZINC001179384323 816859344 /nfs/dbraw/zinc/85/93/44/816859344.db2.gz JHWNTOLUAXJETD-AVGNSLFASA-N 0 3 256.365 2.137 20 30 CEEDHN C=CCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000121383706 365561723 /nfs/dbraw/zinc/56/17/23/365561723.db2.gz OVWFGMPLTDZRAR-UHFFFAOYSA-N 0 3 277.324 2.350 20 30 CEEDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)CC(C)(C)C#N)C1 ZINC000336429097 365575548 /nfs/dbraw/zinc/57/55/48/365575548.db2.gz GOZOKZQVEXVSQM-CQSZACIVSA-N 0 3 285.391 2.446 20 30 CEEDHN C=CCN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000121584564 365590482 /nfs/dbraw/zinc/59/04/82/365590482.db2.gz POQXACBZMHMQGK-UHFFFAOYSA-N 0 3 277.324 2.350 20 30 CEEDHN CC#CCN1CCC(CCC(=O)N(CC)CC)CC1 ZINC000122643231 365629657 /nfs/dbraw/zinc/62/96/57/365629657.db2.gz KZBXYJQCCLENGG-UHFFFAOYSA-N 0 3 264.413 2.370 20 30 CEEDHN CC[C@@H]1CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000125320185 365671339 /nfs/dbraw/zinc/67/13/39/365671339.db2.gz QOKMPPRMBXHXGL-GUTXKFCHSA-N 0 3 265.401 2.161 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](CC)C1 ZINC000125136150 187171130 /nfs/dbraw/zinc/17/11/30/187171130.db2.gz ODQGIYNKSJTBKD-KBPBESRZSA-N 0 3 250.386 2.307 20 30 CEEDHN CCN1CCC[C@@H]1CN(C)C(=O)c1cccc(C#N)c1C ZINC000337871879 214294422 /nfs/dbraw/zinc/29/44/22/214294422.db2.gz ROTHGHGQURJRCP-OAHLLOKOSA-N 0 3 285.391 2.423 20 30 CEEDHN CC[C@@H](C#N)C(=O)Nc1ccc(CN(C)C)cc1OC ZINC000601621521 346862985 /nfs/dbraw/zinc/86/29/85/346862985.db2.gz NQKWBCMTJDDHRJ-LBPRGKRZSA-N 0 3 275.352 2.245 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccccc2CC#N)C1 ZINC000601623881 346863465 /nfs/dbraw/zinc/86/34/65/346863465.db2.gz YPHFEVOXKXNQBG-HNNXBMFYSA-N 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296.286 2.492 20 30 CEEDHN C=CCc1ccc(OC[C@@H](O)CN(C)C2CC2)c(OC)c1 ZINC000047921307 362233405 /nfs/dbraw/zinc/23/34/05/362233405.db2.gz QWBZETPZQDUNLL-HNNXBMFYSA-N 0 3 291.391 2.258 20 30 CEEDHN CC(C)[C@H]1CCN1C[C@@H](O)COc1ccccc1C#N ZINC000601955906 346942147 /nfs/dbraw/zinc/94/21/47/346942147.db2.gz FGXVINCLJBHUBT-HUUCEWRRSA-N 0 3 274.364 2.028 20 30 CEEDHN C=CCOc1ccccc1C(=O)NC[C@H](C)N1CCCC1 ZINC000048128129 343526038 /nfs/dbraw/zinc/52/60/38/343526038.db2.gz ZGXIQDRHDRPYKP-AWEZNQCLSA-N 0 3 288.391 2.466 20 30 CEEDHN COC(=O)C[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000048400688 343530181 /nfs/dbraw/zinc/53/01/81/343530181.db2.gz FGMBUCKIIDMVFD-HNNXBMFYSA-N 0 3 272.348 2.476 20 30 CEEDHN N#CC1(C[C@H](O)CN2CC(Cc3cccs3)C2)CC1 ZINC000601964833 346945307 /nfs/dbraw/zinc/94/53/07/346945307.db2.gz PYZXRLABZJECJC-ZDUSSCGKSA-N 0 3 276.405 2.277 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)c2cccc(C#N)c2)C1 ZINC000046862806 343505088 /nfs/dbraw/zinc/50/50/88/343505088.db2.gz IFDGMWKZTXCBCE-CYBMUJFWSA-N 0 3 271.364 2.020 20 30 CEEDHN C=C(Br)CN1CCC[C@H](N2CCCC2)C1 ZINC000057754480 343637199 /nfs/dbraw/zinc/63/71/99/343637199.db2.gz UUIZDEOGNUCXFL-LBPRGKRZSA-N 0 3 273.218 2.455 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1C(C)C ZINC000063619023 343680488 /nfs/dbraw/zinc/68/04/88/343680488.db2.gz QYMOIOOOZAGYPN-UONOGXRCSA-N 0 3 265.401 2.115 20 30 CEEDHN N#Cc1c(F)cccc1CNC[C@H]1CCC[C@@H](O)C1 ZINC000602010186 346957839 /nfs/dbraw/zinc/95/78/39/346957839.db2.gz FHHSJBJCYOESPE-WCQYABFASA-N 0 3 262.328 2.338 20 30 CEEDHN N#CCc1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000066158535 343708771 /nfs/dbraw/zinc/70/87/71/343708771.db2.gz CYRFCJUVCZGRLS-INIZCTEOSA-N 0 3 298.390 2.455 20 30 CEEDHN C[C@H](N[C@@H]1CCCS(=O)(=O)CC1)c1ccc(C#N)cc1 ZINC000601995544 346952760 /nfs/dbraw/zinc/95/27/60/346952760.db2.gz DPKIHQRVZCOETK-SWLSCSKDSA-N 0 3 292.404 2.176 20 30 CEEDHN CCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](C)C(C)C ZINC000065298595 343697018 /nfs/dbraw/zinc/69/70/18/343697018.db2.gz HBGDYBKAOVVPCP-WFASDCNBSA-N 0 3 265.401 2.161 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)c2ccccc2)cc1 ZINC000065979334 343705816 /nfs/dbraw/zinc/70/58/16/343705816.db2.gz CKVXRACZJQOTMX-UHFFFAOYSA-N 0 3 279.343 2.078 20 30 CEEDHN C[C@H](CNC(=O)c1cccc(C#N)c1)N1CCC(C)CC1 ZINC000067273037 343732837 /nfs/dbraw/zinc/73/28/37/343732837.db2.gz HNPMOTKJMTUIQB-CQSZACIVSA-N 0 3 285.391 2.408 20 30 CEEDHN N#Cc1c(F)cccc1CNC[C@H]1CC[C@H](C(N)=O)CC1 ZINC000602022103 346962362 /nfs/dbraw/zinc/96/23/62/346962362.db2.gz WEWQVLVJUZUXSJ-HAQNSBGRSA-N 0 3 289.354 2.079 20 30 CEEDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccc(C#N)cc1 ZINC000066948337 343726732 /nfs/dbraw/zinc/72/67/32/343726732.db2.gz AWQKTBVUJKVJHD-OAHLLOKOSA-N 0 3 271.364 2.115 20 30 CEEDHN C#CCOc1ccccc1CNC[C@H](OC)C(C)C ZINC000072924836 343815455 /nfs/dbraw/zinc/81/54/55/343815455.db2.gz YCFSTUCOHJNQBG-INIZCTEOSA-N 0 3 261.365 2.459 20 30 CEEDHN CC[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000073225351 343825067 /nfs/dbraw/zinc/82/50/67/343825067.db2.gz 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CLADZJHBCYWPOC-CYBMUJFWSA-N 0 3 295.333 2.337 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1ccccc1C(F)(F)F ZINC000491167434 344909713 /nfs/dbraw/zinc/90/97/13/344909713.db2.gz XYJKOUNDSXHQMJ-LLVKDONJSA-N 0 3 298.308 2.496 20 30 CEEDHN COC[C@](C)(O)CN[C@@H](C)c1ccc(C#N)cc1Cl ZINC000584567315 344957508 /nfs/dbraw/zinc/95/75/08/344957508.db2.gz HIROHVHOMMCLLR-IINYFYTJSA-N 0 3 282.771 2.260 20 30 CEEDHN C[C@H](NCc1ccc(C#N)cc1F)C(C)(C)n1cncn1 ZINC000585726023 345012100 /nfs/dbraw/zinc/01/21/00/345012100.db2.gz PPZPATRUVQZBOL-NSHDSACASA-N 0 3 287.342 2.202 20 30 CEEDHN CN(CCN1CCCC1)C(=O)CCCCCC#N ZINC000588346301 345046689 /nfs/dbraw/zinc/04/66/89/345046689.db2.gz XMZPDPLOAGFCRN-UHFFFAOYSA-N 0 3 251.374 2.015 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)CCCCCC#N)[C@H]2C1 ZINC000588672274 345050889 /nfs/dbraw/zinc/05/08/89/345050889.db2.gz AZTJDCOPMDYTOX-KBPBESRZSA-N 0 3 263.385 2.013 20 30 CEEDHN N#Cc1ccc(CNCCC(=O)NC2CCCCC2)cc1 ZINC000054203369 362519442 /nfs/dbraw/zinc/51/94/42/362519442.db2.gz 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/nfs/dbraw/zinc/13/27/18/345132718.db2.gz BMPKIRWTRYFDIE-GDBMZVCRSA-N 0 3 297.402 2.459 20 30 CEEDHN C=CCSCCNC(=O)Nc1cccc(CN)c1 ZINC000591309875 345238789 /nfs/dbraw/zinc/23/87/89/345238789.db2.gz KRLQZIVFZLJUGI-UHFFFAOYSA-N 0 3 265.382 2.186 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCCC[C@@H]1C1(O)CC1 ZINC000590969125 345207788 /nfs/dbraw/zinc/20/77/88/345207788.db2.gz CHLXTVDKGOGNGR-MRXNPFEDSA-N 0 3 286.375 2.446 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2(C(F)(F)F)CC2)CC1 ZINC000592075767 345319891 /nfs/dbraw/zinc/31/98/91/345319891.db2.gz OEIWLDWHUPZISL-UHFFFAOYSA-N 0 3 290.329 2.486 20 30 CEEDHN C[C@H](NC(=O)[C@]1(C#N)CCNC1)c1cc2ccccc2o1 ZINC000591590569 345267475 /nfs/dbraw/zinc/26/74/75/345267475.db2.gz KMJPJEUVUBQPJQ-ZBEGNZNMSA-N 0 3 283.331 2.113 20 30 CEEDHN N#Cc1cnccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000592112685 345323768 /nfs/dbraw/zinc/32/37/68/345323768.db2.gz NAPKJMSYSSUDPH-BZUAXINKSA-N 0 3 283.375 2.391 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)C2CC2)CC1 ZINC000592302267 345342474 /nfs/dbraw/zinc/34/24/74/345342474.db2.gz HTQARHVGQRQIAU-CYBMUJFWSA-N 0 3 279.428 2.372 20 30 CEEDHN N#CC[C@]1(O)CCN(C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000592522316 345365271 /nfs/dbraw/zinc/36/52/71/345365271.db2.gz LTNHLQLNPAOGMQ-PMPSAXMXSA-N 0 3 256.349 2.141 20 30 CEEDHN CCCc1cccc(CN2CC[C@](O)(CC#N)C2)c1 ZINC000592522579 345365303 /nfs/dbraw/zinc/36/53/03/345365303.db2.gz OWYRWRRFXJZTEF-MRXNPFEDSA-N 0 3 258.365 2.490 20 30 CEEDHN C[C@@H](Cc1ccsc1)N1CC[C@](O)(CC#N)C1 ZINC000592522885 345366035 /nfs/dbraw/zinc/36/60/35/345366035.db2.gz SLPOKSCYEFKBSR-WCQYABFASA-N 0 3 250.367 2.030 20 30 CEEDHN N#CC[C@]1(O)CCN(Cc2ccc3c(c2)CCCC3)C1 ZINC000592524534 345366395 /nfs/dbraw/zinc/36/63/95/345366395.db2.gz FXTBWVAUVUZLLA-KRWDZBQOSA-N 0 3 270.376 2.416 20 30 CEEDHN CC(C)(C#N)CCCN1CCN2CC(F)(F)C[C@H]2C1 ZINC000592130221 345327553 /nfs/dbraw/zinc/32/75/53/345327553.db2.gz BKCUJDXFQVDQJJ-LBPRGKRZSA-N 0 3 271.355 2.342 20 30 CEEDHN CN(CCC(C)(C)C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000592144919 345328528 /nfs/dbraw/zinc/32/85/28/345328528.db2.gz QEACQCYWTDGAQV-HNNXBMFYSA-N 0 3 265.401 2.163 20 30 CEEDHN CCc1ccc(CCN2CC[C@](O)(CC#N)C2)cc1 ZINC000592150274 345329730 /nfs/dbraw/zinc/32/97/30/345329730.db2.gz DAKYATRGOXIMFC-MRXNPFEDSA-N 0 3 258.365 2.142 20 30 CEEDHN C[C@@H](CCN1CC[C@](O)(CC#N)C1)OCc1ccccc1 ZINC000592153056 345331702 /nfs/dbraw/zinc/33/17/02/345331702.db2.gz INLWAEAZLLAYAU-DOTOQJQBSA-N 0 3 288.391 2.332 20 30 CEEDHN CC(C)[C@@H](NCc1ccncc1C#N)C1(CO)CC=CC1 ZINC000592178142 345334760 /nfs/dbraw/zinc/33/47/60/345334760.db2.gz XPGAYZIFCMNUOB-MRXNPFEDSA-N 0 3 285.391 2.396 20 30 CEEDHN COC[C@H]1C[C@@H](O)CN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000593067622 345432265 /nfs/dbraw/zinc/43/22/65/345432265.db2.gz XLYLJCFRHVTVAA-HZPDHXFCSA-N 0 3 288.391 2.069 20 30 CEEDHN N#Cc1ccc(CNC(=O)CNC2(C3CCC3)CC2)cc1 ZINC000593079980 345434727 /nfs/dbraw/zinc/43/47/27/345434727.db2.gz JLJSEVTYISAPDA-UHFFFAOYSA-N 0 3 283.375 2.097 20 30 CEEDHN CN1CCN(CCCC#N)[C@@H](Cc2ccccc2)C1 ZINC000593088427 345436307 /nfs/dbraw/zinc/43/63/07/345436307.db2.gz CMAKQSIJKIDHPJ-INIZCTEOSA-N 0 3 257.381 2.149 20 30 CEEDHN COC(=O)[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1C1CC1 ZINC000593123430 345444517 /nfs/dbraw/zinc/44/45/17/345444517.db2.gz MVZHUVDKTQRQFN-JKSUJKDBSA-N 0 3 284.359 2.189 20 30 CEEDHN CCCN(C(=O)Cc1ccc(C#N)cc1)[C@@H]1CCN(C)C1 ZINC000592830917 345401973 /nfs/dbraw/zinc/40/19/73/345401973.db2.gz HXMUMJIYQNRYLN-MRXNPFEDSA-N 0 3 285.391 2.043 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C#N)CC)C(C)C ZINC000593464062 345492024 /nfs/dbraw/zinc/49/20/24/345492024.db2.gz ICCYOZYCHYKUED-GJZGRUSLSA-N 0 3 277.412 2.351 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000593518141 345502141 /nfs/dbraw/zinc/50/21/41/345502141.db2.gz USVNCZQHFNDIAE-VXGBXAGGSA-N 0 3 282.384 2.409 20 30 CEEDHN CC[C@H](C#N)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000593411575 345479271 /nfs/dbraw/zinc/47/92/71/345479271.db2.gz QFGNCFFYVCQMEG-GFCCVEGCSA-N 0 3 275.352 2.115 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)NCC(C)(C)CC#N ZINC000593413965 345479584 /nfs/dbraw/zinc/47/95/84/345479584.db2.gz XCQFFJKGTCFAAH-UHFFFAOYSA-N 0 3 280.416 2.054 20 30 CEEDHN CC[C@H](C#N)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000593422509 345482464 /nfs/dbraw/zinc/48/24/64/345482464.db2.gz NIHAZIRDEHHHQO-UKRRQHHQSA-N 0 3 273.380 2.264 20 30 CEEDHN C[C@@H]1CC2(CN1Cc1ccc(C#N)cn1)CCOCC2 ZINC000594015747 345567124 /nfs/dbraw/zinc/56/71/24/345567124.db2.gz PYOVAYIPFSBHBD-CYBMUJFWSA-N 0 3 271.364 2.344 20 30 CEEDHN C=CCSCCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594227288 345600970 /nfs/dbraw/zinc/60/09/70/345600970.db2.gz WNIAQHXCIFCKMP-UONOGXRCSA-N 0 3 297.468 2.222 20 30 CEEDHN COC1CCN(C(C)(C)CNC(=O)CCCCC#N)CC1 ZINC000594286411 345608902 /nfs/dbraw/zinc/60/89/02/345608902.db2.gz YUYCQOAXOGORTC-UHFFFAOYSA-N 0 3 295.427 2.076 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)CCCCC#N ZINC000594287966 345609043 /nfs/dbraw/zinc/60/90/43/345609043.db2.gz DWQHMORRXNATTC-CYBMUJFWSA-N 0 3 251.374 2.061 20 30 CEEDHN CC[C@H](C(=O)NC1(c2ccc(C#N)cc2)CCC1)N(C)C ZINC000594404060 345621745 /nfs/dbraw/zinc/62/17/45/345621745.db2.gz SNVACGRKUKSJBT-OAHLLOKOSA-N 0 3 285.391 2.394 20 30 CEEDHN C[C@H](O)CN(C(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000594416969 345624244 /nfs/dbraw/zinc/62/42/44/345624244.db2.gz ZUPKHSQZPJPKQS-DZGCQCFKSA-N 0 3 286.375 2.131 20 30 CEEDHN CN(Cc1ccccc1F)C(=O)[C@H](N)CCCCC#N ZINC000594424503 345625871 /nfs/dbraw/zinc/62/58/71/345625871.db2.gz ADAUWGVZOPDQCB-CQSZACIVSA-N 0 3 277.343 2.195 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000594426185 345625992 /nfs/dbraw/zinc/62/59/92/345625992.db2.gz NUDRBJCQSLJRAS-CQSZACIVSA-N 0 3 286.379 2.394 20 30 CEEDHN CC[C@@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594425743 345626020 /nfs/dbraw/zinc/62/60/20/345626020.db2.gz BOKLNWJDIKEXIK-OLZOCXBDSA-N 0 3 251.374 2.046 20 30 CEEDHN CN(C(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1 ZINC000594429007 345627680 /nfs/dbraw/zinc/62/76/80/345627680.db2.gz QANVIEXBCHFHTF-ZDUSSCGKSA-N 0 3 263.316 2.200 20 30 CEEDHN C[C@@H]1CCCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594430901 345628718 /nfs/dbraw/zinc/62/87/18/345628718.db2.gz CWTSAMOTPNGDDN-CHWSQXEVSA-N 0 3 251.374 2.046 20 30 CEEDHN COc1cc(CNC(=O)[C@@H](N)CCCCC#N)ccc1C ZINC000594430647 345628750 /nfs/dbraw/zinc/62/87/50/345628750.db2.gz AJZZYAJKKDSPDP-AWEZNQCLSA-N 0 3 289.379 2.031 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000594431280 345628810 /nfs/dbraw/zinc/62/88/10/345628810.db2.gz KXIUUIYHPHLMMN-GJZGRUSLSA-N 0 3 289.354 2.340 20 30 CEEDHN CN(C(=O)[C@H](N)CCCCC#N)c1ccc(F)c(F)c1 ZINC000594431631 345628844 /nfs/dbraw/zinc/62/88/44/345628844.db2.gz PERMZJCIIGLPJN-CYBMUJFWSA-N 0 3 281.306 2.339 20 30 CEEDHN CCC[C@@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594433774 345629202 /nfs/dbraw/zinc/62/92/02/345629202.db2.gz SJBUUQGGJJETPY-KGLIPLIRSA-N 0 3 265.401 2.436 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCc1nc(C2CC2)cs1 ZINC000594439809 345631571 /nfs/dbraw/zinc/63/15/71/345631571.db2.gz VKJFIBHQDNQBEN-NSHDSACASA-N 0 3 292.408 2.048 20 30 CEEDHN C[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)CC1(C)C ZINC000594442746 345631812 /nfs/dbraw/zinc/63/18/12/345631812.db2.gz JADBUFQILPHHBZ-CHWSQXEVSA-N 0 3 265.401 2.292 20 30 CEEDHN CC[C@H](C)C[C@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594442991 345632068 /nfs/dbraw/zinc/63/20/68/345632068.db2.gz FELRNCVFHJJNAZ-RWMBFGLXSA-N 0 3 253.390 2.339 20 30 CEEDHN COc1ccc(N(C)C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594454202 345635005 /nfs/dbraw/zinc/63/50/05/345635005.db2.gz UQNCWVJMCOCCKC-CQSZACIVSA-N 0 3 275.352 2.069 20 30 CEEDHN N#Cc1cccnc1N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594603372 345657829 /nfs/dbraw/zinc/65/78/29/345657829.db2.gz UQCGAAGWSBXAEH-KGLIPLIRSA-N 0 3 256.353 2.382 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCCN3CCCC[C@@H]23)o1 ZINC000594518542 345643371 /nfs/dbraw/zinc/64/33/71/345643371.db2.gz HMSYOPHUMQNIJQ-GJZGRUSLSA-N 0 3 259.353 2.258 20 30 CEEDHN Cc1nnc(N[C@@H]2CCCN3CCCC[C@H]23)c(C#N)c1C ZINC000594598620 345656463 /nfs/dbraw/zinc/65/64/63/345656463.db2.gz HBAWELFKYQOCKZ-HUUCEWRRSA-N 0 3 285.395 2.394 20 30 CEEDHN C[C@@](O)(CNCCc1ccc(C#N)cc1)C(F)(F)F ZINC000594717578 345677838 /nfs/dbraw/zinc/67/78/38/345677838.db2.gz CFKRJLXGOUOTRA-GFCCVEGCSA-N 0 3 272.270 2.004 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC/C=C\CO ZINC000595068512 345738814 /nfs/dbraw/zinc/73/88/14/345738814.db2.gz IFBYSQAWVHNXJK-QGZUEGPWSA-N 0 3 256.349 2.464 20 30 CEEDHN COc1ccc(N2C[C@H](N[C@H]3CC[C@H](C#N)C3)CC2=O)cc1 ZINC000595077950 345740093 /nfs/dbraw/zinc/74/00/93/345740093.db2.gz LPQBWWPYBKGIDM-MELADBBJSA-N 0 3 299.374 2.082 20 30 CEEDHN C[C@@H](CNC(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000595258851 345750065 /nfs/dbraw/zinc/75/00/65/345750065.db2.gz FALMJNABSLVFPL-GXTWGEPZSA-N 0 3 265.401 2.340 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N(CCC1CC1)CC1CC1 ZINC000595259991 345750858 /nfs/dbraw/zinc/75/08/58/345750858.db2.gz RVHBLILQLHCRME-HNNXBMFYSA-N 0 3 277.412 2.436 20 30 CEEDHN CC[C@@H]1CCC[C@H](C)N1C(=O)[C@@H](N)CCCC#N ZINC000595259784 345750983 /nfs/dbraw/zinc/75/09/83/345750983.db2.gz OJWHUKYRIPZCOK-XQQFMLRXSA-N 0 3 251.374 2.187 20 30 CEEDHN CC(C)C(=O)NC1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595290500 345755200 /nfs/dbraw/zinc/75/52/00/345755200.db2.gz KUKUOOBSVWMJAN-UHFFFAOYSA-N 0 3 299.418 2.337 20 30 CEEDHN C[C@H](CCNCc1ccc(C2(C#N)CC2)cc1)[S@](C)=O ZINC000594931864 345707688 /nfs/dbraw/zinc/70/76/88/345707688.db2.gz SRHQSYVRJKKCIO-XCLFUZPHSA-N 0 3 290.432 2.488 20 30 CEEDHN N#CCCCNCc1ccc(O[C@H]2CCOC2)cc1 ZINC000594941940 345711381 /nfs/dbraw/zinc/71/13/81/345711381.db2.gz CXKRNGRLYRJLMA-HNNXBMFYSA-N 0 3 260.337 2.248 20 30 CEEDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2cc(C#N)cs2)C1 ZINC000594963816 345718505 /nfs/dbraw/zinc/71/85/05/345718505.db2.gz JRZKQBALYUNIMT-NFAWXSAZSA-N 0 3 294.420 2.275 20 30 CEEDHN Cc1cn[nH]c1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000594980743 345721316 /nfs/dbraw/zinc/72/13/16/345721316.db2.gz RKZVEXQUEIQQOS-UHFFFAOYSA-N 0 3 296.374 2.385 20 30 CEEDHN CS[C@@H]1CN([C@H](C#N)c2ccccc2)C[C@@H]1N(C)C ZINC000595403246 345774295 /nfs/dbraw/zinc/77/42/95/345774295.db2.gz JGAYHNAMKLPHIA-QLFBSQMISA-N 0 3 275.421 2.229 20 30 CEEDHN Cc1c(CN(C)CCc2ccc(C#N)cc2)cnn1C ZINC000595469715 345790236 /nfs/dbraw/zinc/79/02/36/345790236.db2.gz XDFFIRWKOYHSIX-UHFFFAOYSA-N 0 3 268.364 2.275 20 30 CEEDHN C=CCCCN[C@@](C)(CC(=O)OC)c1ccncc1 ZINC000595486577 345794042 /nfs/dbraw/zinc/79/40/42/345794042.db2.gz NTYMDAAZXAWFNI-HNNXBMFYSA-N 0 3 262.353 2.416 20 30 CEEDHN Cc1cc(CN(CCOCCO)C2CCC2)ccc1C#N ZINC000595598587 345822255 /nfs/dbraw/zinc/82/22/55/345822255.db2.gz SXYJNEPKHQGWLP-UHFFFAOYSA-N 0 3 288.391 2.230 20 30 CEEDHN N#CCCOCCN1CCC[C@H](c2ccccn2)C1 ZINC000595499701 345796768 /nfs/dbraw/zinc/79/67/68/345796768.db2.gz AMHKXDNXPVHELY-AWEZNQCLSA-N 0 3 259.353 2.191 20 30 CEEDHN CO[C@]1(CO)CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000595660172 345841387 /nfs/dbraw/zinc/84/13/87/345841387.db2.gz RRQYHGINRPOWLJ-CZUORRHYSA-N 0 3 274.364 2.093 20 30 CEEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000595662040 345841520 /nfs/dbraw/zinc/84/15/20/345841520.db2.gz YTAVHCNPHGKEKS-UONOGXRCSA-N 0 3 275.396 2.225 20 30 CEEDHN C=CCCSCCNC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000595721319 345859877 /nfs/dbraw/zinc/85/98/77/345859877.db2.gz WEJKMWOJYJVMEU-OAHLLOKOSA-N 0 3 297.468 2.033 20 30 CEEDHN C=CCCSCCNC(=O)N[C@@H]1CCN(CCC)C1 ZINC000595724395 345860514 /nfs/dbraw/zinc/86/05/14/345860514.db2.gz ZUKYWFHAMKEMLQ-CYBMUJFWSA-N 0 3 285.457 2.079 20 30 CEEDHN N#CC[C@H]1CCCN(C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000595623258 345831298 /nfs/dbraw/zinc/83/12/98/345831298.db2.gz LJJFIGZJYWXQCA-ZBFHGGJFSA-N 0 3 276.355 2.355 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC(C2CCC2)CC1 ZINC000595658081 345840037 /nfs/dbraw/zinc/84/00/37/345840037.db2.gz FNIFUNLIGMJZOD-ZDUSSCGKSA-N 0 3 277.412 2.259 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(CC)C[C@H](C)C#N ZINC000595844398 345897301 /nfs/dbraw/zinc/89/73/01/345897301.db2.gz DAVPEEKBSSDHKH-KFWWJZLASA-N 0 3 275.396 2.178 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000595845486 345897326 /nfs/dbraw/zinc/89/73/26/345897326.db2.gz OVTVAHINLWLNDW-MJBXVCDLSA-N 0 3 279.380 2.280 20 30 CEEDHN N#Cc1ccc(OCCN2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000595749108 345865845 /nfs/dbraw/zinc/86/58/45/345865845.db2.gz DRLOCBBJMSMRSX-KRWDZBQOSA-N 0 3 286.375 2.174 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@H]2COC[C@@]2(C)C1 ZINC000595756250 345867863 /nfs/dbraw/zinc/86/78/63/345867863.db2.gz FSAXCTYJFNUVOQ-GOEBONIOSA-N 0 3 272.348 2.035 20 30 CEEDHN N#CCc1ccc(CN[C@@H]2C[C@@H](O)C23CCC3)cc1 ZINC000595779381 345874500 /nfs/dbraw/zinc/87/45/00/345874500.db2.gz DKOCOWJWYJDLNR-HUUCEWRRSA-N 0 3 256.349 2.146 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1cccc(C#N)c1 ZINC000595845981 345897180 /nfs/dbraw/zinc/89/71/80/345897180.db2.gz YTCFARNPVBBKNK-CALCHBBNSA-N 0 3 295.386 2.357 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595857676 345899287 /nfs/dbraw/zinc/89/92/87/345899287.db2.gz MYRSRKCEBIGELX-CPIKKWJDSA-N 0 3 263.385 2.010 20 30 CEEDHN C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)[C@@H](C)CN1 ZINC000595932401 345914791 /nfs/dbraw/zinc/91/47/91/345914791.db2.gz OHGYRDQTUGJETQ-OLZOCXBDSA-N 0 3 263.385 2.059 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000595960494 345917925 /nfs/dbraw/zinc/91/79/25/345917925.db2.gz UOTFWYHEBLSESJ-CVEARBPZSA-N 0 3 285.391 2.414 20 30 CEEDHN CN1CCC[C@@H](CNc2nc3ncccc3cc2C#N)C1 ZINC000596118954 345943855 /nfs/dbraw/zinc/94/38/55/345943855.db2.gz HMYNLUQBGYPSQY-LBPRGKRZSA-N 0 3 281.363 2.255 20 30 CEEDHN CCN1CCCN(c2cc(C)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000596121305 345944426 /nfs/dbraw/zinc/94/44/26/345944426.db2.gz ZHEIFAOXXOFABU-UHFFFAOYSA-N 0 3 288.351 2.307 20 30 CEEDHN CN(C)C1(CNc2nc3ncccc3cc2C#N)CC1 ZINC000596274128 345988182 /nfs/dbraw/zinc/98/81/82/345988182.db2.gz ABLVSPQVAVJKKW-UHFFFAOYSA-N 0 3 267.336 2.008 20 30 CEEDHN C[C@@H](CC#N)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000596626220 346067585 /nfs/dbraw/zinc/06/75/85/346067585.db2.gz ITFACHQTQQBQIM-AWEZNQCLSA-N 0 3 285.391 2.317 20 30 CEEDHN CCN(C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1CCN(C)C1 ZINC000596910420 346105213 /nfs/dbraw/zinc/10/52/13/346105213.db2.gz FCFAYJDTZVBTKX-ZDUSSCGKSA-N 0 3 290.342 2.255 20 30 CEEDHN COC(=O)CC(C)(C)C[C@H](C)NCC(C)(C)C#N ZINC000597083838 346126109 /nfs/dbraw/zinc/12/61/09/346126109.db2.gz VAXIUZKHXYYPLE-NSHDSACASA-N 0 3 254.374 2.494 20 30 CEEDHN COc1cc(CN[C@@H]2CO[C@H](C3CC3)C2)ccc1C#N ZINC000597133495 346133164 /nfs/dbraw/zinc/13/31/64/346133164.db2.gz UIIULXZWBVJOAL-HOCLYGCPSA-N 0 3 272.348 2.224 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CC1(C#N)CCCCC1 ZINC000597378547 346178681 /nfs/dbraw/zinc/17/86/81/346178681.db2.gz QYMKCIPTFFDYEH-ZFWWWQNUSA-N 0 3 289.423 2.449 20 30 CEEDHN C=CCC1(NCc2cc(C(=O)OC)co2)CCOCC1 ZINC000597207139 346148973 /nfs/dbraw/zinc/14/89/73/346148973.db2.gz SAZNIGCZTYEORC-UHFFFAOYSA-N 0 3 279.336 2.281 20 30 CEEDHN C=CCOCCCNCc1cc(C(=O)OC)oc1C ZINC000597210136 346149692 /nfs/dbraw/zinc/14/96/92/346149692.db2.gz NHFQCUPCEVGKOO-UHFFFAOYSA-N 0 3 267.325 2.057 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)CC#N)C(C)C ZINC000597223619 346154052 /nfs/dbraw/zinc/15/40/52/346154052.db2.gz RBEGNSCVTIPQFS-LSDHHAIUSA-N 0 3 277.412 2.351 20 30 CEEDHN COc1cc(CN2CC[C@H]3COC[C@@H]3C2)ccc1C#N ZINC000597231896 346155715 /nfs/dbraw/zinc/15/57/15/346155715.db2.gz REGSZZRKHGYSLG-GJZGRUSLSA-N 0 3 272.348 2.035 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000597656278 346211603 /nfs/dbraw/zinc/21/16/03/346211603.db2.gz JOHYXWGGCREVBH-BXUZGUMPSA-N 0 3 277.343 2.094 20 30 CEEDHN C[C@@H](CC#N)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000597656283 346211653 /nfs/dbraw/zinc/21/16/53/346211653.db2.gz JOHYXWGGCREVBH-SMDDNHRTSA-N 0 3 277.343 2.094 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000597655112 346211845 /nfs/dbraw/zinc/21/18/45/346211845.db2.gz ZYGKYHOLKLBIKA-FMKPAKJESA-N 0 3 285.391 2.315 20 30 CEEDHN Cc1scc(CNC(=O)[C@@H](N)CCCCC#N)c1C ZINC000602586449 347089308 /nfs/dbraw/zinc/08/93/08/347089308.db2.gz RGTYSURQYMNXOO-ZDUSSCGKSA-N 0 3 279.409 2.392 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000597920339 346253494 /nfs/dbraw/zinc/25/34/94/346253494.db2.gz ACIGKORITFMKIW-LLVKDONJSA-N 0 3 275.352 2.062 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000598393475 346344757 /nfs/dbraw/zinc/34/47/57/346344757.db2.gz JVWSBOQGDMXRNJ-YESZJQIVSA-N 0 3 298.386 2.254 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000598502489 346366543 /nfs/dbraw/zinc/36/65/43/346366543.db2.gz RQNMKDWLXYOEFP-NWANDNLSSA-N 0 3 299.374 2.003 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCc2ccccc2-n2ccnc21 ZINC000598576497 346376965 /nfs/dbraw/zinc/37/69/65/346376965.db2.gz UPXINFQOPMYTTR-YPMHNXCESA-N 0 3 280.331 2.135 20 30 CEEDHN CCC(C#N)C(=O)NC[C@@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000598582135 346377863 /nfs/dbraw/zinc/37/78/63/346377863.db2.gz KJKGQXYAWMDKRL-WCQYABFASA-N 0 3 294.395 2.410 20 30 CEEDHN Cn1cncc1[C@@H]1CCCCN1C[C@H](O)CC(C)(C)C#N ZINC000598589177 346378885 /nfs/dbraw/zinc/37/88/85/346378885.db2.gz DVOPHFRDKPZPMR-KGLIPLIRSA-N 0 3 290.411 2.248 20 30 CEEDHN C[C@H](c1cccnc1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598598933 346380924 /nfs/dbraw/zinc/38/09/24/346380924.db2.gz JWGKVQHUSDQMKZ-OCCSQVGLSA-N 0 3 261.369 2.375 20 30 CEEDHN C[C@@H](c1ccncc1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598599847 346381963 /nfs/dbraw/zinc/38/19/63/346381963.db2.gz QSGZXEVTJPTPFJ-GXTWGEPZSA-N 0 3 261.369 2.375 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CC(C)(C)OC(C)(C)C1 ZINC000598605509 346382863 /nfs/dbraw/zinc/38/28/63/346382863.db2.gz BDRCIXGNQCQRFV-GFCCVEGCSA-N 0 3 268.401 2.177 20 30 CEEDHN CC[C@H]1COC(C)(C)CN1C[C@H](O)CC(C)(C)C#N ZINC000598622887 346387169 /nfs/dbraw/zinc/38/71/69/346387169.db2.gz OPPHGHCTMPACPZ-QWHCGFSZSA-N 0 3 268.401 2.177 20 30 CEEDHN C[C@@H]1CCN(Cc2cc(C#N)cs2)C[C@H]1CO ZINC000598676487 346398645 /nfs/dbraw/zinc/39/86/45/346398645.db2.gz ITIUMCAQUJJXHM-PWSUYJOCSA-N 0 3 250.367 2.070 20 30 CEEDHN COCc1csc(CNC[C@H](O)CC(C)(C)C#N)c1 ZINC000598705753 346405110 /nfs/dbraw/zinc/40/51/10/346405110.db2.gz NILDXSOUXKCIMH-GFCCVEGCSA-N 0 3 282.409 2.285 20 30 CEEDHN CCOC(=O)c1[nH]c(C)c(CNCCCC#N)c1C ZINC000598971867 346439711 /nfs/dbraw/zinc/43/97/11/346439711.db2.gz HMVMRSDNJWDPEX-UHFFFAOYSA-N 0 3 263.341 2.202 20 30 CEEDHN CN(Cc1ccccc1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599258211 346485692 /nfs/dbraw/zinc/48/56/92/346485692.db2.gz VIUXXOSNJSAMJG-MRXNPFEDSA-N 0 3 288.391 2.190 20 30 CEEDHN Cc1ncc([C@@H](C)NC(=O)[C@@H](N)CCCCC#N)s1 ZINC000602599045 347094775 /nfs/dbraw/zinc/09/47/75/347094775.db2.gz FUQZJRCVISOPBC-KOLCDFICSA-N 0 3 280.397 2.040 20 30 CEEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(C#N)cc1 ZINC000599350282 346503998 /nfs/dbraw/zinc/50/39/98/346503998.db2.gz PWZPGXLSDNTYTO-DOMZBBRYSA-N 0 3 269.348 2.264 20 30 CEEDHN COCC[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccco1 ZINC000599358886 346506452 /nfs/dbraw/zinc/50/64/52/346506452.db2.gz IENKHTGFPZFNJU-OLZOCXBDSA-N 0 3 278.352 2.002 20 30 CEEDHN Cc1ccc(CN[C@H]2CCC(=O)NC2(C)C)cc1C#N ZINC000599403330 346514752 /nfs/dbraw/zinc/51/47/52/346514752.db2.gz NDFLXYODYSWYLO-AWEZNQCLSA-N 0 3 271.364 2.014 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCc3c2cccc3O)CC1 ZINC000599432106 346518690 /nfs/dbraw/zinc/51/86/90/346518690.db2.gz HWXURSFSEKKSLQ-BXUZGUMPSA-N 0 3 272.348 2.024 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)CC1(O)CCC1 ZINC000599440715 346521598 /nfs/dbraw/zinc/52/15/98/346521598.db2.gz ZJWWSMYFKJHRIE-CJNGLKHVSA-N 0 3 288.391 2.217 20 30 CEEDHN Cc1occc1CN(C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599270818 346488274 /nfs/dbraw/zinc/48/82/74/346488274.db2.gz QUAUGWWVNCGJMU-OAHLLOKOSA-N 0 3 292.379 2.091 20 30 CEEDHN Cc1cc(C)nc(N2CCN(C[C@H](C)CCC#N)CC2)n1 ZINC000602601090 347095910 /nfs/dbraw/zinc/09/59/10/347095910.db2.gz ITEJCAKWNYCABJ-CYBMUJFWSA-N 0 3 287.411 2.155 20 30 CEEDHN Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(C)c(C#N)c2)n1 ZINC000599683928 346564217 /nfs/dbraw/zinc/56/42/17/346564217.db2.gz YGJQCDMLADZWEE-LSDHHAIUSA-N 0 3 298.346 2.178 20 30 CEEDHN C=CCC[C@@H](O)CN1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599683059 346564433 /nfs/dbraw/zinc/56/44/33/346564433.db2.gz WTYHVANRZRRKNX-GDBMZVCRSA-N 0 3 289.375 2.086 20 30 CEEDHN N#CCc1ccc(OC[C@@H](O)CN(C2CC2)C2CC2)cc1 ZINC000599595282 346543984 /nfs/dbraw/zinc/54/39/84/346543984.db2.gz URSONNOJBWWAGC-INIZCTEOSA-N 0 3 286.375 2.119 20 30 CEEDHN CC[C@H](C#N)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000600228533 346628062 /nfs/dbraw/zinc/62/80/62/346628062.db2.gz DNTRMTFSHZKSOK-OCCSQVGLSA-N 0 3 263.385 2.059 20 30 CEEDHN CCC(F)(F)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000600380468 346637191 /nfs/dbraw/zinc/63/71/91/346637191.db2.gz YUKXKHFIUKFRFK-ZDUSSCGKSA-N 0 3 291.301 2.402 20 30 CEEDHN Cc1ccc2c(c1C)OC[C@H]2NC[C@@H](O)CC1(C#N)CC1 ZINC000600722512 346678274 /nfs/dbraw/zinc/67/82/74/346678274.db2.gz QSVYLXAXPYISDJ-DZGCQCFKSA-N 0 3 286.375 2.381 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@H]2CCOc3c(F)cccc32)CC1 ZINC000600734945 346681514 /nfs/dbraw/zinc/68/15/14/346681514.db2.gz RTXOFLFGJBCHGO-RISCZKNCSA-N 0 3 290.338 2.294 20 30 CEEDHN N#Cc1ccc(CN2CCNCc3ccccc32)o1 ZINC000600767740 346686486 /nfs/dbraw/zinc/68/64/86/346686486.db2.gz CKJGSWABHJTJPW-UHFFFAOYSA-N 0 3 253.305 2.261 20 30 CEEDHN CN(CCNC(=O)C1(C#N)CC2(CC2)C1)Cc1ccccc1 ZINC000601011297 346731458 /nfs/dbraw/zinc/73/14/58/346731458.db2.gz UAPHNQHXSACDPH-UHFFFAOYSA-N 0 3 297.402 2.319 20 30 CEEDHN CC(C)N1CC[C@@H](Nc2ncc(C#N)c3ccsc32)C1 ZINC000601108930 346754573 /nfs/dbraw/zinc/75/45/73/346754573.db2.gz RMDAUYUSRLKSDB-GFCCVEGCSA-N 0 3 286.404 2.484 20 30 CEEDHN C[C@@H](CCC#N)CN[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000602616002 347104541 /nfs/dbraw/zinc/10/45/41/347104541.db2.gz GTZPDSXNMIOMNX-DZGCQCFKSA-N 0 3 294.420 2.302 20 30 CEEDHN CN(CC1CN(C)C1)c1ncc(C#N)c2ccsc21 ZINC000601194693 346783639 /nfs/dbraw/zinc/78/36/39/346783639.db2.gz OVBDMMIVLQIRFM-UHFFFAOYSA-N 0 3 272.377 2.166 20 30 CEEDHN CO[C@H]1C[C@H](NCc2cccc(C#N)n2)C12CCC2 ZINC000602686793 347145720 /nfs/dbraw/zinc/14/57/20/347145720.db2.gz DZKVHYWZCWKJGE-KBPBESRZSA-N 0 3 257.337 2.000 20 30 CEEDHN C[C@@H](CCC#N)CN[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000602689427 347147869 /nfs/dbraw/zinc/14/78/69/347147869.db2.gz HNBBJXMCLMKBED-SWLSCSKDSA-N 0 3 289.354 2.460 20 30 CEEDHN C[C@@H]1CCN(CC2(CC#N)CC2)C[C@H]1n1ccnc1 ZINC000602794343 347200672 /nfs/dbraw/zinc/20/06/72/347200672.db2.gz ACQSENQYVWUSAW-ZIAGYGMSSA-N 0 3 258.369 2.460 20 30 CEEDHN N#CCC1(CN2CCC[C@@H](c3nncn3C3CC3)C2)CC1 ZINC000602800175 347204075 /nfs/dbraw/zinc/20/40/75/347204075.db2.gz WJSWHADXRDLYJH-CYBMUJFWSA-N 0 3 285.395 2.486 20 30 CEEDHN C[C@@H]1CN(C[C@@H]2CCCN2CC2(CC#N)CC2)C[C@H](C)O1 ZINC000602767826 347189370 /nfs/dbraw/zinc/18/93/70/347189370.db2.gz GQHFAOGLNBLQFO-XHSDSOJGSA-N 0 3 291.439 2.254 20 30 CEEDHN CCOC(=O)CCCCCN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849249 347224254 /nfs/dbraw/zinc/22/42/54/347224254.db2.gz KNMJYVMMDPCEAI-GJZGRUSLSA-N 0 3 295.427 2.028 20 30 CEEDHN CC(C)(C#N)CCCN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987550 347267392 /nfs/dbraw/zinc/26/73/92/347267392.db2.gz KHNHNSGUYJNXJH-WDEREUQCSA-N 0 3 278.318 2.419 20 30 CEEDHN C[C@@H](CN(C)CC(=O)N(CCC#N)CCC#N)C(C)(C)C ZINC000603056864 347278044 /nfs/dbraw/zinc/27/80/44/347278044.db2.gz VZBWLGLQOXTPAB-AWEZNQCLSA-N 0 3 292.427 2.256 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)Nc2cc(F)cc(C#N)c2)CCN1C ZINC000603079422 347282830 /nfs/dbraw/zinc/28/28/30/347282830.db2.gz TUQNBTWYNOKALY-GWCFXTLKSA-N 0 3 290.342 2.302 20 30 CEEDHN CN1CCC[C@@H](CNc2c(C#N)cnn2-c2ccccc2)C1 ZINC000603297775 347330967 /nfs/dbraw/zinc/33/09/67/347330967.db2.gz VKIJCWHAUKEZAR-AWEZNQCLSA-N 0 3 295.390 2.498 20 30 CEEDHN CN(CCCN(C)c1ncccc1C#N)Cc1ccncc1 ZINC000603399159 347358657 /nfs/dbraw/zinc/35/86/57/347358657.db2.gz FVOAVSDOOLKTNI-UHFFFAOYSA-N 0 3 295.390 2.307 20 30 CEEDHN N#Cc1ccc(F)cc1Cn1cc(CNC2CCCC2)nn1 ZINC000603219182 347311773 /nfs/dbraw/zinc/31/17/73/347311773.db2.gz IGRWNTSETVKRMF-UHFFFAOYSA-N 0 3 299.353 2.369 20 30 CEEDHN CCC[C@H](N)c1cn(Cc2cc(C#N)ccc2OC)nn1 ZINC000603232842 347318058 /nfs/dbraw/zinc/31/80/58/347318058.db2.gz HDYOIPUUFWNYQN-ZDUSSCGKSA-N 0 3 285.351 2.007 20 30 CEEDHN CC[C@@](C)(N)c1cn([C@@H](C)c2cccc(C#N)c2)nn1 ZINC000603236354 347318634 /nfs/dbraw/zinc/31/86/34/347318634.db2.gz UGOOJAYPQJOZFI-XHDPSFHLSA-N 0 3 269.352 2.343 20 30 CEEDHN CC[C@@](C)(N)c1cn(CCCOc2cccc(C#N)c2)nn1 ZINC000603242672 347320199 /nfs/dbraw/zinc/32/01/99/347320199.db2.gz PJKUHJOUIZWVEK-MRXNPFEDSA-N 0 3 299.378 2.203 20 30 CEEDHN CC(C)(C)[C@@H](N)c1cn(CCc2ccc(C#N)cc2)nn1 ZINC000603246745 347320781 /nfs/dbraw/zinc/32/07/81/347320781.db2.gz HAHBBXDDTUUQDS-HNNXBMFYSA-N 0 3 283.379 2.438 20 30 CEEDHN C=CC[C@H](CO)NCc1cc(F)cc2cccnc21 ZINC000680484734 539565050 /nfs/dbraw/zinc/56/50/50/539565050.db2.gz NFETXAOBUBWRDJ-CQSZACIVSA-N 0 3 260.312 2.401 20 30 CEEDHN COc1ccc(CNC2CCN(CC#N)CC2)c(Cl)c1 ZINC000609335123 347635498 /nfs/dbraw/zinc/63/54/98/347635498.db2.gz VJJCNLLKWNKKFV-UHFFFAOYSA-N 0 3 293.798 2.426 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1C2CCCC1CCC2 ZINC000610395064 347678018 /nfs/dbraw/zinc/67/80/18/347678018.db2.gz WWZNVDCBWFAULL-NFOMZHRRSA-N 0 3 277.412 2.402 20 30 CEEDHN CC(C#N)C(=O)N1CCS[C@H](c2ccccc2)C1 ZINC000610428419 347680754 /nfs/dbraw/zinc/68/07/54/347680754.db2.gz YIERYOYJNHTIAX-AAEUAGOBSA-N 0 3 260.362 2.463 20 30 CEEDHN COC[C@@H]1CCCN1CCOc1cccc(C#N)c1 ZINC000610605162 347695527 /nfs/dbraw/zinc/69/55/27/347695527.db2.gz OARPGABOFYUOMK-AWEZNQCLSA-N 0 3 260.337 2.048 20 30 CEEDHN C[C@]1(CCCO)CCCN1Cc1ccnc(C#N)c1 ZINC000611462748 347781370 /nfs/dbraw/zinc/78/13/70/347781370.db2.gz HPTFQDJUHMRUMK-OAHLLOKOSA-N 0 3 259.353 2.080 20 30 CEEDHN CC(C)(C#N)CCN1CCCN(C[C@H]2CCCO2)CC1 ZINC000611462473 347781523 /nfs/dbraw/zinc/78/15/23/347781523.db2.gz FRRSIKITGGPOJC-OAHLLOKOSA-N 0 3 279.428 2.113 20 30 CEEDHN Cc1nc([C@H](C)NC2CCN(CC#N)CC2)c(C)s1 ZINC000610946370 347723893 /nfs/dbraw/zinc/72/38/93/347723893.db2.gz HMNBMNBNKSAWGO-JTQLQIEISA-N 0 3 278.425 2.399 20 30 CEEDHN N#Cc1cc(CN2CCC[C@H]([C@@H]3CCOC3)C2)ccn1 ZINC000610998299 347730691 /nfs/dbraw/zinc/73/06/91/347730691.db2.gz JZFFUKPHRGFZNQ-LSDHHAIUSA-N 0 3 271.364 2.202 20 30 CEEDHN C[C@H](NCCOC[C@H]1CCOC1)c1cccc(C#N)c1 ZINC000611438468 347780034 /nfs/dbraw/zinc/78/00/34/347780034.db2.gz TTYSXYPONUFIMK-ZFWWWQNUSA-N 0 3 274.364 2.262 20 30 CEEDHN C[C@@H](NCC(C)(C)CO)c1ccc(C#N)cc1F ZINC000611588998 347798166 /nfs/dbraw/zinc/79/81/66/347798166.db2.gz ITWVENULGKQCTE-SNVBAGLBSA-N 0 3 250.317 2.366 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1C=C[C@H](CO)C1 ZINC000611969294 347830466 /nfs/dbraw/zinc/83/04/66/347830466.db2.gz LDOKQEOLFYKEOT-YSVLISHTSA-N 0 3 268.360 2.462 20 30 CEEDHN C=CCC[C@@H](O)CN[C@@H](CCOC)c1ccco1 ZINC000273321413 192111863 /nfs/dbraw/zinc/11/18/63/192111863.db2.gz WZKGMFAEGILFNP-OLZOCXBDSA-N 0 3 253.342 2.274 20 30 CEEDHN Cc1ccnc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1C#N ZINC000273322344 192112517 /nfs/dbraw/zinc/11/25/17/192112517.db2.gz KLXTYFRZLNRKEC-VXGBXAGGSA-N 0 3 256.353 2.299 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC[C@H]([C@H](C)O)C1 ZINC000614403854 348194482 /nfs/dbraw/zinc/19/44/82/348194482.db2.gz SGMNFBQUYUZDMI-BBRMVZONSA-N 0 3 258.365 2.460 20 30 CEEDHN CCS(=O)(=O)CCCN[C@@H](C)c1ccc(C#N)cc1 ZINC000086973832 179371627 /nfs/dbraw/zinc/37/16/27/179371627.db2.gz SFYBMSFNCAZFIJ-LBPRGKRZSA-N 0 3 280.393 2.034 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](n2cncn2)C1 ZINC000614963610 348261150 /nfs/dbraw/zinc/26/11/50/348261150.db2.gz JHZZPXIVUUTYOK-IUODEOHRSA-N 0 3 267.336 2.158 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)nc1 ZINC000615092283 348279227 /nfs/dbraw/zinc/27/92/27/348279227.db2.gz WNFIXSAEYXFMIN-ARFHVFGLSA-N 0 3 283.375 2.391 20 30 CEEDHN N#Cc1ccc(F)c(CNCC2(O)CCCCC2)c1 ZINC000087029098 179382526 /nfs/dbraw/zinc/38/25/26/179382526.db2.gz ASSKEGFMWCZQJQ-UHFFFAOYSA-N 0 3 262.328 2.482 20 30 CEEDHN Cc1ccnc(N(C)C[C@@H]2CCCN(C)C2)c1C#N ZINC000273346874 192121701 /nfs/dbraw/zinc/12/17/01/192121701.db2.gz ORNNTOIAFUOHRV-CYBMUJFWSA-N 0 3 258.369 2.040 20 30 CEEDHN C=CC[C@@H](CO)NCc1c(C)nn(C(C)(C)C)c1C ZINC000273350711 192122412 /nfs/dbraw/zinc/12/24/12/192122412.db2.gz AYGXFBNOBWQGFY-ZDUSSCGKSA-N 0 3 265.401 2.282 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccoc2C)CC1 ZINC000066891044 362891608 /nfs/dbraw/zinc/89/16/08/362891608.db2.gz HZEAVMORNVMQRX-UHFFFAOYSA-N 0 3 262.353 2.358 20 30 CEEDHN CC(C)[C@H](CNCc1ccc(C#N)o1)c1ccnn1C ZINC000615943333 348417486 /nfs/dbraw/zinc/41/74/86/348417486.db2.gz AURILAPRNKMIDZ-AWEZNQCLSA-N 0 3 272.352 2.414 20 30 CEEDHN C=CCCOCCCCC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000617552322 348728238 /nfs/dbraw/zinc/72/82/38/348728238.db2.gz LLQWBLGHEVJQJA-HNNXBMFYSA-N 0 3 282.428 2.302 20 30 CEEDHN C=CCCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000617617465 348751670 /nfs/dbraw/zinc/75/16/70/348751670.db2.gz HQLZIQZSYHUBQR-CQSZACIVSA-N 0 3 250.386 2.476 20 30 CEEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@@H](C)C1=O ZINC000618098568 348874762 /nfs/dbraw/zinc/87/47/62/348874762.db2.gz ODFHHQFHEQALKE-FMKPAKJESA-N 0 3 298.386 2.442 20 30 CEEDHN C=CCN1CCC(Nc2nc(C)cc(CC)n2)CC1 ZINC000680958271 539697505 /nfs/dbraw/zinc/69/75/05/539697505.db2.gz XWTUSYZHJAEWIM-UHFFFAOYSA-N 0 3 260.385 2.410 20 30 CEEDHN COC[C@@H](NCc1ccc(C#N)cc1C)[C@@H]1CCCO1 ZINC000619060416 349107372 /nfs/dbraw/zinc/10/73/72/349107372.db2.gz VVKQVIZEIDTEHY-CVEARBPZSA-N 0 3 274.364 2.150 20 30 CEEDHN COC[C@H](NCc1cccc(C#N)c1F)C1CCOCC1 ZINC000619465983 349186291 /nfs/dbraw/zinc/18/62/91/349186291.db2.gz VXYVNYVTGLMNLY-HNNXBMFYSA-N 0 3 292.354 2.229 20 30 CEEDHN N#Cc1cccc(OCCN[C@@H](CO)c2ccsc2)c1 ZINC000352033986 219296524 /nfs/dbraw/zinc/29/65/24/219296524.db2.gz XKMOWDHTGXSCOQ-HNNXBMFYSA-N 0 3 288.372 2.322 20 30 CEEDHN C[C@@H](NCC1(CC#N)CC1)c1cccc(-n2cnnn2)c1 ZINC000619535251 349195714 /nfs/dbraw/zinc/19/57/14/349195714.db2.gz MUSNGYGPORTKNA-GFCCVEGCSA-N 0 3 282.351 2.007 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(Cl)c(OC)c1 ZINC000623491399 350032831 /nfs/dbraw/zinc/03/28/31/350032831.db2.gz RZYDCLKRYPBOAT-LLVKDONJSA-N 0 3 255.745 2.375 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000623633497 350071684 /nfs/dbraw/zinc/07/16/84/350071684.db2.gz SMZIJICTMRONPS-ZFWWWQNUSA-N 0 3 277.412 2.078 20 30 CEEDHN COC(=O)CCN(Cc1ccc(C#N)o1)CC(C)C ZINC000091922701 180286532 /nfs/dbraw/zinc/28/65/32/180286532.db2.gz JMJQZFVMYKWNHA-UHFFFAOYSA-N 0 3 264.325 2.172 20 30 CEEDHN CCCN(CC#CCN1C(=O)c2ccccc2C1=O)CCC ZINC000625081129 350402340 /nfs/dbraw/zinc/40/23/40/350402340.db2.gz ZGKHCNFDYPSFSK-UHFFFAOYSA-N 0 3 298.386 2.408 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(C)CC2CC2)CC1 ZINC000106275609 186105798 /nfs/dbraw/zinc/10/57/98/186105798.db2.gz UUUARMFRWWKAIH-UHFFFAOYSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CC[C@@H]1CCN(Cc2cc(=O)n3ccsc3n2)C1 ZINC000625703414 350552002 /nfs/dbraw/zinc/55/20/02/350552002.db2.gz KVVHFPKMHIXOPQ-LLVKDONJSA-N 0 3 275.377 2.154 20 30 CEEDHN CN1CCC[C@H](CNC(=O)Nc2ccc(C#N)cc2)C1 ZINC000108433376 186216129 /nfs/dbraw/zinc/21/61/29/186216129.db2.gz SKBXYSLNGBTTDP-CYBMUJFWSA-N 0 3 272.352 2.022 20 30 CEEDHN C[C@H](O)CN(C)Cc1cccc(OCCCC#N)c1 ZINC000130754107 365987884 /nfs/dbraw/zinc/98/78/84/365987884.db2.gz JHASDVCKMBCWJK-ZDUSSCGKSA-N 0 3 262.353 2.182 20 30 CEEDHN COC1CC(N(C)CCOc2cccc(C#N)c2)C1 ZINC000352229274 219373531 /nfs/dbraw/zinc/37/35/31/219373531.db2.gz DQAINGXDOQCKSI-UHFFFAOYSA-N 0 3 260.337 2.046 20 30 CEEDHN C=CCNC(=O)CNCCc1cccc(C(F)(F)F)c1 ZINC000628232654 351019140 /nfs/dbraw/zinc/01/91/40/351019140.db2.gz IFPJMAJQXWRZCG-UHFFFAOYSA-N 0 3 286.297 2.140 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000069803062 363002417 /nfs/dbraw/zinc/00/24/17/363002417.db2.gz LCPJAEOCHLINDD-GOSISDBHSA-N 0 3 299.418 2.102 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000628966556 351229113 /nfs/dbraw/zinc/22/91/13/351229113.db2.gz BCJLDSNGZDEQGZ-HIFRSBDPSA-N 0 3 280.412 2.101 20 30 CEEDHN C[C@@H]1CSCCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000070219834 363057296 /nfs/dbraw/zinc/05/72/96/363057296.db2.gz IDDFBBOLLOZDJH-GFCCVEGCSA-N 0 3 289.404 2.324 20 30 CEEDHN C[C@@H]1[C@H](C)N(C)CCN1CCCC1(C#N)CCOCC1 ZINC000337172071 366051004 /nfs/dbraw/zinc/05/10/04/366051004.db2.gz FEFWLNLRPYCMKV-LSDHHAIUSA-N 0 3 279.428 2.111 20 30 CEEDHN C=CCc1cc(CN[C@H]2CCC[C@@H]2O)cc(OC)c1O ZINC000631251798 352037795 /nfs/dbraw/zinc/03/77/95/352037795.db2.gz GKSRLJCCJXYRKS-KBPBESRZSA-N 0 3 277.364 2.132 20 30 CEEDHN Cc1nc(N[C@@H](C)C2=CCN(C)CC2)ccc1C#N ZINC000292001648 198130966 /nfs/dbraw/zinc/13/09/66/198130966.db2.gz RLHGJNIKMXDNLI-NSHDSACASA-N 0 3 256.353 2.324 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000132669275 187640899 /nfs/dbraw/zinc/64/08/99/187640899.db2.gz SROLKNSLCHAJHT-HUUCEWRRSA-N 0 3 258.365 2.215 20 30 CEEDHN C=CCN(C[C@H](O)COc1ccccc1C)C1CC1 ZINC000271497151 191175339 /nfs/dbraw/zinc/17/53/39/191175339.db2.gz VJVJZRGRPXYCJQ-HNNXBMFYSA-N 0 3 261.365 2.385 20 30 CEEDHN COc1ccc(CN[C@@H](CO)Cc2ccccc2)cc1C#N ZINC000152707336 188037756 /nfs/dbraw/zinc/03/77/56/188037756.db2.gz LZVUQGBNKGUINM-QGZVFWFLSA-N 0 3 296.370 2.260 20 30 CEEDHN C=C(C)CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000156892668 188286699 /nfs/dbraw/zinc/28/66/99/188286699.db2.gz CDBJCRDSJGIHRN-HOCLYGCPSA-N 0 3 287.407 2.382 20 30 CEEDHN C#CCCOc1ccc(CN2CCN(CC)CC2)cc1 ZINC000157426986 188317374 /nfs/dbraw/zinc/31/73/74/188317374.db2.gz YNXVRUDWARBKRR-UHFFFAOYSA-N 0 3 272.392 2.226 20 30 CEEDHN CC(C)N1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000158423435 188375363 /nfs/dbraw/zinc/37/53/63/188375363.db2.gz UQVDVQXKXAJNMY-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN C=CCCN1CCN(Cc2cn3ccccc3n2)CC1 ZINC000132410997 366141489 /nfs/dbraw/zinc/14/14/89/366141489.db2.gz BBJPVVSPMGTEDG-UHFFFAOYSA-N 0 3 270.380 2.028 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C)(C)C2)CC1 ZINC000074129960 363298801 /nfs/dbraw/zinc/29/88/01/363298801.db2.gz NXJWBQDVMPUPKY-UHFFFAOYSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1coc(C)n1)C(C)C ZINC000669945094 540054586 /nfs/dbraw/zinc/05/45/86/540054586.db2.gz QMTONHGSOFIMDP-HNNXBMFYSA-N 0 3 291.395 2.411 20 30 CEEDHN N#Cc1ccc(CN[C@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000367282188 283148440 /nfs/dbraw/zinc/14/84/40/283148440.db2.gz HQMSRHDVORHJPZ-RDJZCZTQSA-N 0 3 280.327 2.142 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCC#Cc1cccc(F)c1 ZINC000338240774 366246595 /nfs/dbraw/zinc/24/65/95/366246595.db2.gz WVZULGIGXHHKHC-OKILXGFUSA-N 0 3 288.366 2.166 20 30 CEEDHN C=CCOCC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000338287549 366275466 /nfs/dbraw/zinc/27/54/66/366275466.db2.gz BCRHSDGWGNGJSO-UHFFFAOYSA-N 0 3 290.407 2.216 20 30 CEEDHN CC#CCN1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000075862270 363496238 /nfs/dbraw/zinc/49/62/38/363496238.db2.gz PWWYLNGUEYFRIM-GFCCVEGCSA-N 0 3 290.329 2.133 20 30 CEEDHN COCCCn1nccc1CNCCc1cccc(C#N)c1 ZINC000338448651 366363030 /nfs/dbraw/zinc/36/30/30/366363030.db2.gz UWEHWBZMOFSNPS-UHFFFAOYSA-N 0 3 298.390 2.124 20 30 CEEDHN COc1cc(CN[C@@H]2CCOC2(C)C)ccc1C#N ZINC000294454934 199046610 /nfs/dbraw/zinc/04/66/10/199046610.db2.gz VVEQJIDNVZBFME-CQSZACIVSA-N 0 3 260.337 2.224 20 30 CEEDHN CC[C@@H](NCc1ccc(C#N)s1)[C@@H](O)C(F)F ZINC000294920742 199249476 /nfs/dbraw/zinc/24/94/76/199249476.db2.gz AUVKUKLMNPMORR-NXEZZACHSA-N 0 3 260.309 2.114 20 30 CEEDHN CC(C)(C)NC(=O)CCNCc1ccc(C#N)s1 ZINC000135691044 366469207 /nfs/dbraw/zinc/46/92/07/366469207.db2.gz LOQFKDZHPKZAOC-UHFFFAOYSA-N 0 3 265.382 2.014 20 30 CEEDHN C=C(CC)CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000578601805 366517091 /nfs/dbraw/zinc/51/70/91/366517091.db2.gz UHMLSHOFNXXOIA-UHFFFAOYSA-N 0 3 267.417 2.468 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC[C@@H](C#N)CCC#N ZINC000578521971 366507925 /nfs/dbraw/zinc/50/79/25/366507925.db2.gz VASOOZGTIOMVIB-QLFBSQMISA-N 0 3 262.401 2.140 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671760623 540504559 /nfs/dbraw/zinc/50/45/59/540504559.db2.gz VRLCHHASOFLXTJ-KOLCDFICSA-N 0 3 262.309 2.121 20 30 CEEDHN COCCCCN(C)Cc1cnc2ccc(C#N)cn12 ZINC000418137598 237318408 /nfs/dbraw/zinc/31/84/08/237318408.db2.gz RTYRXWTVWFRLBV-UHFFFAOYSA-N 0 3 272.352 2.064 20 30 CEEDHN CN1CC[C@H](CNc2ncc(Br)cc2C#N)C1 ZINC000297299874 200140441 /nfs/dbraw/zinc/14/04/41/200140441.db2.gz YMERTWFBEHXMMR-SECBINFHSA-N 0 3 295.184 2.079 20 30 CEEDHN C[C@@H](CN[C@@H](CCCC#N)c1ccccc1)S(C)(=O)=O ZINC000578759646 366543828 /nfs/dbraw/zinc/54/38/28/366543828.db2.gz BLDHHNGAWCZAOJ-ZFWWWQNUSA-N 0 3 294.420 2.444 20 30 CEEDHN CCC[C@H](C)[C@@H](CO)NCc1ccc(C#N)c(OC)c1 ZINC000571216776 299298996 /nfs/dbraw/zinc/29/89/96/299298996.db2.gz YSSLORQIVGFUIE-SWLSCSKDSA-N 0 3 276.380 2.454 20 30 CEEDHN C#CCSCCNCc1ccccc1OCCOC ZINC000177585274 189058420 /nfs/dbraw/zinc/05/84/20/189058420.db2.gz NEVZDVLNAPAGDJ-UHFFFAOYSA-N 0 3 279.405 2.168 20 30 CEEDHN C#CCN(CCC(=O)OC)[C@@H]1CCc2ccccc21 ZINC000081665700 363735751 /nfs/dbraw/zinc/73/57/51/363735751.db2.gz RVEJJLADXJNLFW-OAHLLOKOSA-N 0 3 257.333 2.172 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(C)c(O)c2C)CC1 ZINC000177808927 189071557 /nfs/dbraw/zinc/07/15/57/189071557.db2.gz VIYBGEVFFPKXAN-UHFFFAOYSA-N 0 3 286.375 2.293 20 30 CEEDHN C=CC1CCN(C(=O)N[C@H](CC)CN2CCCC2)CC1 ZINC000675198767 540815591 /nfs/dbraw/zinc/81/55/91/540815591.db2.gz YHCQZZZPLNRDAN-OAHLLOKOSA-N 0 3 279.428 2.468 20 30 CEEDHN CC#CCN[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179652775 189210165 /nfs/dbraw/zinc/21/01/65/189210165.db2.gz SYSLLNGUJGFGMB-ZDUSSCGKSA-N 0 3 286.375 2.018 20 30 CEEDHN C=CCNC(=O)CN[C@H]1CCCCc2ccccc21 ZINC000180037421 189233671 /nfs/dbraw/zinc/23/36/71/189233671.db2.gz CHRYJGYHEQPSBI-HNNXBMFYSA-N 0 3 258.365 2.346 20 30 CEEDHN CCC#C[C@@H](C)N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000677047704 540975896 /nfs/dbraw/zinc/97/58/96/540975896.db2.gz GJZFAGQGHPGZHM-HUUCEWRRSA-N 0 3 264.413 2.273 20 30 CEEDHN CCC#C[C@@H](C)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000677477818 541018070 /nfs/dbraw/zinc/01/80/70/541018070.db2.gz ZVXBWZJTNPJXGC-UKRRQHHQSA-N 0 3 262.397 2.027 20 30 CEEDHN N#Cc1ccccc1N1CCN(C[C@@H]2CCCC[C@H]2O)CC1 ZINC000579791343 366700634 /nfs/dbraw/zinc/70/06/34/366700634.db2.gz HXVVSTCDAHWSPK-FUHWJXTLSA-N 0 3 299.418 2.231 20 30 CEEDHN C=C(C)[C@H](CO)N(CC)C[C@H]1COc2ccccc2O1 ZINC000677950888 541061345 /nfs/dbraw/zinc/06/13/45/541061345.db2.gz CORCZFRHRHICBL-KBPBESRZSA-N 0 3 277.364 2.085 20 30 CEEDHN COc1ccc(CN(C)[C@H]2CCN(C3CC3)C2)cc1C#N ZINC000340196983 366800710 /nfs/dbraw/zinc/80/07/10/366800710.db2.gz HIFGJBCUOQRYDN-INIZCTEOSA-N 0 3 285.391 2.235 20 30 CEEDHN C=CCN(C(=O)N[C@@H](CC)CN1CCCC1)C1CC1 ZINC000678554710 541148914 /nfs/dbraw/zinc/14/89/14/541148914.db2.gz CUXSKRCTTGFSEN-ZDUSSCGKSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CC[C@@H](CO)CNCc1nc2c(s1)CCCC2 ZINC000678967066 541198775 /nfs/dbraw/zinc/19/87/75/541198775.db2.gz ATDSRQXQOCKBEB-LLVKDONJSA-N 0 3 266.410 2.296 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C)[C@H](F)C2)CC1 ZINC000679291924 541244953 /nfs/dbraw/zinc/24/49/53/541244953.db2.gz CDBIVXKGRICJOI-UKRRQHHQSA-N 0 3 297.418 2.416 20 30 CEEDHN C=CCN(CCc1ccco1)Cc1ccn(C)c(=O)c1 ZINC000679328332 541255517 /nfs/dbraw/zinc/25/55/17/541255517.db2.gz DKKFUITVTUYUQX-UHFFFAOYSA-N 0 3 272.348 2.209 20 30 CEEDHN N#Cc1ccc(OC2CCC(NCc3cc[nH]n3)CC2)nc1 ZINC000092854016 364113772 /nfs/dbraw/zinc/11/37/72/364113772.db2.gz UGWAKCAPZMYYAK-UHFFFAOYSA-N 0 3 297.362 2.156 20 30 CEEDHN CNC(=O)NC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000334640132 364119234 /nfs/dbraw/zinc/11/92/34/364119234.db2.gz WSDDOAMCGCQASU-GFCCVEGCSA-N 0 3 286.379 2.013 20 30 CEEDHN CC1CCN(CCNCc2cc(C#N)cs2)CC1 ZINC000093492356 364191543 /nfs/dbraw/zinc/19/15/43/364191543.db2.gz ZAQSVABEBQOJNF-UHFFFAOYSA-N 0 3 263.410 2.441 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc(F)ccc2OC)CC1 ZINC000093788959 364226925 /nfs/dbraw/zinc/22/69/25/364226925.db2.gz DWTWJVBMPZCZIE-UHFFFAOYSA-N 0 3 290.338 2.118 20 30 CEEDHN CN(C)CCSCCOc1cccc(C#N)c1 ZINC000094822700 364302530 /nfs/dbraw/zinc/30/25/30/364302530.db2.gz JVARCZDMCOKBOE-UHFFFAOYSA-N 0 3 250.367 2.232 20 30 CEEDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1sccc1C#N ZINC000335103126 364480148 /nfs/dbraw/zinc/48/01/48/364480148.db2.gz GEJWCXNJMLUHGW-WCQYABFASA-N 0 3 289.404 2.319 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cccc(F)c2C#N)C1 ZINC000335105263 364483820 /nfs/dbraw/zinc/48/38/20/364483820.db2.gz LWPQBFYWHMFDAV-GFCCVEGCSA-N 0 3 289.354 2.252 20 30 CEEDHN CC[C@@](C)(CO)NC1CC(C#N)(c2ccccc2)C1 ZINC000158482172 366856480 /nfs/dbraw/zinc/85/64/80/366856480.db2.gz GCYXWXPYVOICPG-PCKAHOCUSA-N 0 3 258.365 2.361 20 30 CEEDHN CCC(CC)N(CCOC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000102928406 364619010 /nfs/dbraw/zinc/61/90/10/364619010.db2.gz BWJNDJNULCIIBL-MRXNPFEDSA-N 0 3 297.443 2.178 20 30 CEEDHN CN(C)C[C@@H]1CCCCN1C(=O)c1sccc1C#N ZINC000104413511 364696939 /nfs/dbraw/zinc/69/69/39/364696939.db2.gz OUPYRJPRUYSWEA-LBPRGKRZSA-N 0 3 277.393 2.176 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000112840290 364851322 /nfs/dbraw/zinc/85/13/22/364851322.db2.gz RMTOHSMRXVKZFQ-IIAWOOMASA-N 0 3 276.424 2.273 20 30 CEEDHN CC(C)N(C)CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000113175441 364875329 /nfs/dbraw/zinc/87/53/29/364875329.db2.gz ZKCLMFAKBJCGFY-ZDUSSCGKSA-N 0 3 279.771 2.361 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)c2ccc(C#N)nc2)c1 ZINC000115025629 364981078 /nfs/dbraw/zinc/98/10/78/364981078.db2.gz YJQZQBVVZKGUDM-UHFFFAOYSA-N 0 3 280.331 2.267 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)c2cccc(C#N)c2)C1 ZINC000335577514 212289716 /nfs/dbraw/zinc/28/97/16/212289716.db2.gz FNIOWQZDVJTHGL-HNNXBMFYSA-N 0 3 271.364 2.113 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](C)c1cccc(C)c1C ZINC000115603449 365019103 /nfs/dbraw/zinc/01/91/03/365019103.db2.gz WCANFSXGLNCKRF-KGLIPLIRSA-N 0 3 258.365 2.092 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)[C@@H](C)CN1C ZINC000335823399 365032171 /nfs/dbraw/zinc/03/21/71/365032171.db2.gz XBXIOPINOBMZIS-NEPJUHHUSA-N 0 3 261.344 2.222 20 30 CEEDHN C=CC[C@@H](C)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000117032181 365089149 /nfs/dbraw/zinc/08/91/49/365089149.db2.gz QXDBBOMXXQMXMA-CHWSQXEVSA-N 0 3 253.390 2.125 20 30 CEEDHN N#Cc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1Cl ZINC000335878949 365106078 /nfs/dbraw/zinc/10/60/78/365106078.db2.gz AVBITPRFLPYGTC-GFCCVEGCSA-N 0 3 289.766 2.178 20 30 CEEDHN C=CCCCN(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000117883107 365131550 /nfs/dbraw/zinc/13/15/50/365131550.db2.gz NISXFIUNQVRZSJ-JTQLQIEISA-N 0 3 264.291 2.048 20 30 CEEDHN CC(C#N)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000357318246 370810818 /nfs/dbraw/zinc/81/08/18/370810818.db2.gz RIPITOFYNBJLCK-JTQLQIEISA-N 0 3 280.249 2.333 20 30 CEEDHN C=CCSCCNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000357283515 370811713 /nfs/dbraw/zinc/81/17/13/370811713.db2.gz MTXWDFAHPXJIPH-AWEZNQCLSA-N 0 3 282.453 2.429 20 30 CEEDHN C=C(C)CNCc1cc(OC)ccc1OCOC ZINC000119631593 365301418 /nfs/dbraw/zinc/30/14/18/365301418.db2.gz UDIIWMZTLHSSHF-UHFFFAOYSA-N 0 3 251.326 2.344 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)Nc2cccc(C#N)c2)CCN1C ZINC000336026747 365309714 /nfs/dbraw/zinc/30/97/14/365309714.db2.gz ZRXPVNPPNXSJFN-FZMZJTMJSA-N 0 3 272.352 2.162 20 30 CEEDHN CCOC(C)(C)CNCc1ccc(OC)c(C#N)c1 ZINC000159183349 366886453 /nfs/dbraw/zinc/88/64/53/366886453.db2.gz NJWTUONGFHFFNY-UHFFFAOYSA-N 0 3 262.353 2.472 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000336065030 365358930 /nfs/dbraw/zinc/35/89/30/365358930.db2.gz AWRWFALFKHDJLX-JSGCOSHPSA-N 0 3 286.379 2.471 20 30 CEEDHN C=CCOc1cccc(CN(C)C[C@H](C)C(=O)OC)c1 ZINC000120593793 365448178 /nfs/dbraw/zinc/44/81/78/365448178.db2.gz POMUHGFFLTZHPH-ZDUSSCGKSA-N 0 3 277.364 2.492 20 30 CEEDHN C=CCOc1cccc(CN(C)C[C@@H](C)C(=O)OC)c1 ZINC000120593952 365448208 /nfs/dbraw/zinc/44/82/08/365448208.db2.gz POMUHGFFLTZHPH-CYBMUJFWSA-N 0 3 277.364 2.492 20 30 CEEDHN CCC#C[C@H](C)N1CCSC2(CCOCC2)C1 ZINC000681168441 541516562 /nfs/dbraw/zinc/51/65/62/541516562.db2.gz JXFGLCUPESOHRS-ZDUSSCGKSA-N 0 3 253.411 2.386 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@@H]1CCCC[C@H]1O ZINC000245546349 370835796 /nfs/dbraw/zinc/83/57/96/370835796.db2.gz MEESTWCCLQAWCH-HRCADAONSA-N 0 3 294.439 2.058 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H](CCO)C(C)C ZINC000162294957 367148793 /nfs/dbraw/zinc/14/87/93/367148793.db2.gz FCFZJZCDAKXCOH-AWEZNQCLSA-N 0 3 262.353 2.063 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357533216 370821747 /nfs/dbraw/zinc/82/17/47/370821747.db2.gz KWIUIUTWLCAXIT-RISCZKNCSA-N 0 3 288.351 2.243 20 30 CEEDHN N#Cc1ccc(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)o1 ZINC000341121112 367182488 /nfs/dbraw/zinc/18/24/88/367182488.db2.gz IBEWDJVFSIFFRR-CYBMUJFWSA-N 0 3 287.363 2.146 20 30 CEEDHN C#Cc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000245500142 370829073 /nfs/dbraw/zinc/82/90/73/370829073.db2.gz ZOIGPHDMCNNEFL-CVEARBPZSA-N 0 3 283.375 2.368 20 30 CEEDHN C[C@@H](CO)[C@H](C)NCc1ccc(C#N)cc1Cl ZINC000162822134 367193562 /nfs/dbraw/zinc/19/35/62/367193562.db2.gz BWOGLTDRMSORLM-UWVGGRQHSA-N 0 3 252.745 2.318 20 30 CEEDHN C#CCCCCC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000245612369 370849035 /nfs/dbraw/zinc/84/90/35/370849035.db2.gz TZXMDFHJGTYDSY-LSDHHAIUSA-N 0 3 262.397 2.123 20 30 CEEDHN Cc1cc(CN[C@H](CO)C[C@H](O)C(C)(C)C)ccc1C#N ZINC000341253094 367247973 /nfs/dbraw/zinc/24/79/73/367247973.db2.gz JHYFMQJKDUHQSW-HOTGVXAUSA-N 0 3 290.407 2.114 20 30 CEEDHN C[C@@H](C[S@@](C)=O)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000168549760 367354637 /nfs/dbraw/zinc/35/46/37/367354637.db2.gz AETVRRUYMTUVDO-ZKTNFTSUSA-N 0 3 280.393 2.007 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000341364900 367305214 /nfs/dbraw/zinc/30/52/14/367305214.db2.gz DFEOUUPZKXICFG-BFHYXJOUSA-N 0 3 250.386 2.141 20 30 CEEDHN C[C@@H](C[S@](C)=O)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000168549590 367354788 /nfs/dbraw/zinc/35/47/88/367354788.db2.gz AETVRRUYMTUVDO-SYTFOFBDSA-N 0 3 280.393 2.007 20 30 CEEDHN CO[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000170817846 367423690 /nfs/dbraw/zinc/42/36/90/367423690.db2.gz HXNGIQYKMJCHAG-OAHLLOKOSA-N 0 3 260.337 2.048 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000342605106 367448402 /nfs/dbraw/zinc/44/84/02/367448402.db2.gz ZZAUTEKJTXRGII-NWDGAFQWSA-N 0 3 250.386 2.330 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(Cl)ccn2)CC1 ZINC000171722485 367601922 /nfs/dbraw/zinc/60/19/22/367601922.db2.gz GQDUZXLEHOKJIB-UHFFFAOYSA-N 0 3 279.771 2.115 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccc(COC)c2)CC1 ZINC000171723938 367602097 /nfs/dbraw/zinc/60/20/97/367602097.db2.gz CHGGJPKSEQRLIZ-UHFFFAOYSA-N 0 3 288.391 2.213 20 30 CEEDHN C=CCN1CCC(NC(=O)N(CC)CC(=C)C)CC1 ZINC000171739433 367606751 /nfs/dbraw/zinc/60/67/51/367606751.db2.gz DEYWLLBJIAENBO-UHFFFAOYSA-N 0 3 265.401 2.244 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C/c2cnc(C)s2)CC1 ZINC000171804658 367618043 /nfs/dbraw/zinc/61/80/43/367618043.db2.gz BZKXETRVXOWVCT-SNAWJCMRSA-N 0 3 291.420 2.231 20 30 CEEDHN CN1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1c1ccccc1 ZINC000245727467 370865248 /nfs/dbraw/zinc/86/52/48/370865248.db2.gz HAUVRCQTYZGAQW-JKSUJKDBSA-N 0 3 294.358 2.062 20 30 CEEDHN C#CCSCCNCc1cn2cc(Cl)ccc2n1 ZINC000172674582 367797204 /nfs/dbraw/zinc/79/72/04/367797204.db2.gz OEQTZRPRZPGOPT-UHFFFAOYSA-N 0 3 279.796 2.444 20 30 CEEDHN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)C(C)C#N ZINC000343517658 367857863 /nfs/dbraw/zinc/85/78/63/367857863.db2.gz DWBPBRNOPRFILU-BREBYQMCSA-N 0 3 264.300 2.178 20 30 CEEDHN CO[C@H](CNCc1cnc2ccc(C#N)cn12)C(C)(C)C ZINC000174132011 367988035 /nfs/dbraw/zinc/98/80/35/367988035.db2.gz OEXGTLTYPRMRPW-CQSZACIVSA-N 0 3 286.379 2.357 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@@H]1CCCOC1 ZINC000174147820 367989610 /nfs/dbraw/zinc/98/96/10/367989610.db2.gz GHXWSKNUTMAUHK-GJZGRUSLSA-N 0 3 282.428 2.158 20 30 CEEDHN CNC(=O)C1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000343770495 367995273 /nfs/dbraw/zinc/99/52/73/367995273.db2.gz UPXOOMDOIAQPIP-UHFFFAOYSA-N 0 3 289.354 2.092 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ncc(CC)s2)CC1 ZINC000174213513 367998305 /nfs/dbraw/zinc/99/83/05/367998305.db2.gz PTMPSRSFAWQEBS-UHFFFAOYSA-N 0 3 294.424 2.477 20 30 CEEDHN C[C@](O)(CNCc1ccc(C#N)o1)c1ccccc1 ZINC000174395675 368018926 /nfs/dbraw/zinc/01/89/26/368018926.db2.gz TXXNBFWVVZRXTQ-HNNXBMFYSA-N 0 3 256.305 2.149 20 30 CEEDHN COc1ccc(CNC[C@@H](O)CC(C)(C)C)cc1C#N ZINC000174406335 368019833 /nfs/dbraw/zinc/01/98/33/368019833.db2.gz PLMXXJHPFWKHBR-AWEZNQCLSA-N 0 3 276.380 2.454 20 30 CEEDHN Cc1noc(C)c1C[C@@H](C)NCc1ccc(C#N)o1 ZINC000174416818 368021560 /nfs/dbraw/zinc/02/15/60/368021560.db2.gz HMFDCKAREWMZPX-SECBINFHSA-N 0 3 259.309 2.477 20 30 CEEDHN C[C@@H](NCC(=O)NCC#N)c1ccc(F)c2ccccc21 ZINC000344063382 368105610 /nfs/dbraw/zinc/10/56/10/368105610.db2.gz NMNQPCYTVRIWKD-LLVKDONJSA-N 0 3 285.322 2.269 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](C2CC2)C1 ZINC000344075473 368105666 /nfs/dbraw/zinc/10/56/66/368105666.db2.gz USWWZAQXYHZQAP-OAHLLOKOSA-N 0 3 262.397 2.309 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1C[C@H](C)CC(C)(C)C1 ZINC000344085590 368107009 /nfs/dbraw/zinc/10/70/09/368107009.db2.gz SJYIBWXSMWFSIE-OLZOCXBDSA-N 0 3 265.401 2.115 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@](C)(CC)C1 ZINC000344225763 368115332 /nfs/dbraw/zinc/11/53/32/368115332.db2.gz FEHJBXSIKACPLR-DZGCQCFKSA-N 0 3 265.401 2.117 20 30 CEEDHN C=CCC(CC=C)C(=O)N(C)CCN1CCCC1 ZINC000343910489 368070311 /nfs/dbraw/zinc/07/03/11/368070311.db2.gz CXEVARATGKXGNC-UHFFFAOYSA-N 0 3 250.386 2.309 20 30 CEEDHN C=CCNC(=O)CN1CC[C@H](c2ccccc2)[C@@H]1C ZINC000177540525 368271294 /nfs/dbraw/zinc/27/12/94/368271294.db2.gz PIEHLLYDAANMQM-ZFWWWQNUSA-N 0 3 258.365 2.167 20 30 CEEDHN N#Cc1csc(CNCc2ccnc(-n3cccn3)c2)c1 ZINC000177684351 368278350 /nfs/dbraw/zinc/27/83/50/368278350.db2.gz CJXLOPLVMYZJNP-UHFFFAOYSA-N 0 3 295.371 2.490 20 30 CEEDHN COC(=O)CC1CCN(CCC(C)(C)C#N)CC1 ZINC000345715845 368385491 /nfs/dbraw/zinc/38/54/91/368385491.db2.gz SEZQVBKIOZHXOP-UHFFFAOYSA-N 0 3 252.358 2.201 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](N(C)C)C1 ZINC000181094341 368421337 /nfs/dbraw/zinc/42/13/37/368421337.db2.gz XWKAQUCCLOWFOZ-KGLIPLIRSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCOCCCN1CCOC[C@@H]1[C@H]1CCC[C@H]1OC ZINC000345794215 368424648 /nfs/dbraw/zinc/42/46/48/368424648.db2.gz RCBAMBUJSHMGNW-BZUAXINKSA-N 0 3 283.412 2.095 20 30 CEEDHN CC[C@H](NCc1ccc(C#N)cc1)[C@@H](O)C(F)(F)F ZINC000345825623 368441709 /nfs/dbraw/zinc/44/17/09/368441709.db2.gz YFZIKZPYTZNEPS-NWDGAFQWSA-N 0 3 272.270 2.350 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)CCN1CCN(CC)CC1 ZINC000633964584 368476320 /nfs/dbraw/zinc/47/63/20/368476320.db2.gz PCYWVZPRIXIILU-UHFFFAOYSA-N 0 3 295.471 2.123 20 30 CEEDHN N#CC(C(=O)c1cnn(CC(F)(F)F)c1)c1ccccn1 ZINC000682497280 541671381 /nfs/dbraw/zinc/67/13/81/541671381.db2.gz FKDNTQGEMCLOIU-JTQLQIEISA-N 0 3 294.236 2.330 20 30 CEEDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1cccc(C#N)c1)CC2 ZINC000181664670 368480178 /nfs/dbraw/zinc/48/01/78/368480178.db2.gz FVIJVNSIMPFSEP-IAQYHMDHSA-N 0 3 281.363 2.124 20 30 CEEDHN C[C@@H](NCCN1CCOC(C)(C)C1)c1cccc(C#N)c1 ZINC000181701950 368484950 /nfs/dbraw/zinc/48/49/50/368484950.db2.gz XJKJXXPAIHGWQD-CQSZACIVSA-N 0 3 287.407 2.320 20 30 CEEDHN COc1ccc(CN2CCN(C)C[C@H]2C(C)C)cc1C#N ZINC000184740937 368717463 /nfs/dbraw/zinc/71/74/63/368717463.db2.gz UTQYXVSYWAWHPT-INIZCTEOSA-N 0 3 287.407 2.339 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCC[C@H]2CCO)c1F ZINC000330581152 203000441 /nfs/dbraw/zinc/00/04/41/203000441.db2.gz RLKSGXPYIQSMRX-FZMZJTMJSA-N 0 3 262.328 2.338 20 30 CEEDHN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)C(C)C#N ZINC000346446732 368678162 /nfs/dbraw/zinc/67/81/62/368678162.db2.gz QEMRFNZCBANZJO-ZBINZKHDSA-N 0 3 258.321 2.001 20 30 CEEDHN CC#CCCCC(=O)NCC1(SC)CCN(C)CC1 ZINC000358113373 370910136 /nfs/dbraw/zinc/91/01/36/370910136.db2.gz YIQDDZBALYHWAW-UHFFFAOYSA-N 0 3 282.453 2.124 20 30 CEEDHN C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000185940894 368890840 /nfs/dbraw/zinc/89/08/40/368890840.db2.gz MZUCFOXNPHBWHU-BLLLJJGKSA-N 0 3 296.374 2.308 20 30 CEEDHN C=CCOCCCN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000348167573 368930640 /nfs/dbraw/zinc/93/06/40/368930640.db2.gz KEDQAYUFWINCJP-AWEZNQCLSA-N 0 3 272.352 2.076 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](COCC)C(C)C ZINC000348438888 369046630 /nfs/dbraw/zinc/04/66/30/369046630.db2.gz GXVAHNGOCHPEEQ-HUUCEWRRSA-N 0 3 284.444 2.450 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C=CCCC2)cc1 ZINC000348327163 369004498 /nfs/dbraw/zinc/00/44/98/369004498.db2.gz WKZVDFCSNPLKKE-HZPDHXFCSA-N 0 3 279.343 2.465 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000186691836 369020559 /nfs/dbraw/zinc/02/05/59/369020559.db2.gz GEJGBDVBDUJJLQ-BXUZGUMPSA-N 0 3 292.379 2.241 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(OC)cc1OC ZINC000186714510 369026636 /nfs/dbraw/zinc/02/66/36/369026636.db2.gz AYXCECZRYCGYGL-NEPJUHHUSA-N 0 3 265.353 2.291 20 30 CEEDHN CC(C)[C@@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000330653884 203084561 /nfs/dbraw/zinc/08/45/61/203084561.db2.gz LPGLEBCRUUCSKD-INIZCTEOSA-N 0 3 285.391 2.295 20 30 CEEDHN COc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1OC ZINC000349819448 369410541 /nfs/dbraw/zinc/41/05/41/369410541.db2.gz ACLQDIOLOQIQCF-YPMHNXCESA-N 0 3 260.337 2.486 20 30 CEEDHN COc1cc(CN[C@H]2CC[C@H](C#N)C2)cc(OC)c1OC ZINC000349831641 369415827 /nfs/dbraw/zinc/41/58/27/369415827.db2.gz UZGXQFKKGMSFKX-AAEUAGOBSA-N 0 3 290.363 2.494 20 30 CEEDHN C=CC[C@@H](C(=O)NCCN(C)CCOC)c1ccccc1 ZINC000189009057 369442530 /nfs/dbraw/zinc/44/25/30/369442530.db2.gz HEWYPMLNEMWLSX-MRXNPFEDSA-N 0 3 290.407 2.041 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)c1cccc(F)c1C#N ZINC000189411771 369512531 /nfs/dbraw/zinc/51/25/31/369512531.db2.gz ISDHTQOVYPLZJU-GFCCVEGCSA-N 0 3 289.354 2.302 20 30 CEEDHN C=CCNC(=O)C(C)S(=O)(=O)C(CC)(CC)CC ZINC000350147751 369516599 /nfs/dbraw/zinc/51/65/99/369516599.db2.gz QIDTUMMADBUSND-NSHDSACASA-N 0 3 275.414 2.061 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000246659717 370989960 /nfs/dbraw/zinc/98/99/60/370989960.db2.gz LOWJVVHPDMLUNQ-JYJNAYRXSA-N 0 3 292.423 2.076 20 30 CEEDHN N#Cc1ccc(CN2CCN(CC[C@H]3CCCO3)CC2)cc1 ZINC000276395963 193315390 /nfs/dbraw/zinc/31/53/90/193315390.db2.gz SVIRYIUHGLEYRS-GOSISDBHSA-N 0 3 299.418 2.245 20 30 CEEDHN Cc1ccc([C@H](O)CNCc2cc(C#N)n(C)c2)cc1 ZINC000190846851 369656731 /nfs/dbraw/zinc/65/67/31/369656731.db2.gz DXPKDLZLTBFCPZ-MRXNPFEDSA-N 0 3 269.348 2.028 20 30 CEEDHN Cc1ccc(NC(=O)C(C#N)c2ccncn2)cc1 ZINC000352306996 369669002 /nfs/dbraw/zinc/66/90/02/369669002.db2.gz QEMWVSBTWXPPDI-GFCCVEGCSA-N 0 3 252.277 2.031 20 30 CEEDHN C=CCN(CCc1ccccc1)CCN1CCOC[C@@H]1C ZINC000191464762 369716854 /nfs/dbraw/zinc/71/68/54/369716854.db2.gz REDNIAYZVVCSLB-KRWDZBQOSA-N 0 3 288.435 2.438 20 30 CEEDHN COc1cc(C#N)ccc1CN1[C@H](C)CC(O)C[C@@H]1C ZINC000191139817 369683917 /nfs/dbraw/zinc/68/39/17/369683917.db2.gz SIIPBAWHWHPNBX-ODOQXGPZSA-N 0 3 274.364 2.301 20 30 CEEDHN C=CCCN(C)[C@H](C)C(=O)NCc1cccc(OC)c1 ZINC000276466988 193342610 /nfs/dbraw/zinc/34/26/10/193342610.db2.gz RFKSFTHAJOAOLE-CYBMUJFWSA-N 0 3 276.380 2.208 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2(SC)CC2)CC1 ZINC000191547189 369722905 /nfs/dbraw/zinc/72/29/05/369722905.db2.gz BDMOKFBGKODYPQ-UHFFFAOYSA-N 0 3 268.426 2.039 20 30 CEEDHN N#CCSCCCN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352669577 369826646 /nfs/dbraw/zinc/82/66/46/369826646.db2.gz AYYFKZJKIZDEHJ-QWRGUYRKSA-N 0 3 296.358 2.126 20 30 CEEDHN CCCCCCCCCN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000192668987 369841325 /nfs/dbraw/zinc/84/13/25/369841325.db2.gz OXKDQJCQGQNNRI-INIZCTEOSA-N 0 3 295.427 2.411 20 30 CEEDHN CC[C@@H](C)NC(=O)CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353248529 370094469 /nfs/dbraw/zinc/09/44/69/370094469.db2.gz BDYJQRDSFHHOMU-MLGOLLRUSA-N 0 3 285.391 2.440 20 30 CEEDHN CC(C)OC[C@@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000194539766 370048597 /nfs/dbraw/zinc/04/85/97/370048597.db2.gz DEMZUMCGZAYXHH-KRWDZBQOSA-N 0 3 288.391 2.309 20 30 CEEDHN CC(C)(O)C(C)(C)NCc1cc(C#N)ccc1F ZINC000223245244 370262948 /nfs/dbraw/zinc/26/29/48/370262948.db2.gz DEPHNKUAIPBVOY-UHFFFAOYSA-N 0 3 250.317 2.336 20 30 CEEDHN COC[C@H](NCc1ccc(C#N)c(OC)c1)C(C)C ZINC000234701685 370540433 /nfs/dbraw/zinc/54/04/33/370540433.db2.gz TUFCBYQXWCFIMT-AWEZNQCLSA-N 0 3 262.353 2.327 20 30 CEEDHN C=CC(C)(C)CCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000638454778 370543044 /nfs/dbraw/zinc/54/30/44/370543044.db2.gz KBOKSOLPAMTEIQ-OGHNNQOOSA-N 0 3 294.439 2.237 20 30 CEEDHN C=CCCCCCN(C)C(=O)N[C@H](C)CN(C)C ZINC000358505265 371094901 /nfs/dbraw/zinc/09/49/01/371094901.db2.gz SGIDCVLCZKCIKS-CYBMUJFWSA-N 0 3 255.406 2.324 20 30 CEEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@H](C)N1C ZINC000358731765 371196138 /nfs/dbraw/zinc/19/61/38/371196138.db2.gz DDLIEUGFLFJRMV-UXLLHSPISA-N 0 3 299.418 2.310 20 30 CEEDHN CC[C@H]1CCCN(CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000249731110 371357432 /nfs/dbraw/zinc/35/74/32/371357432.db2.gz TYUVUMMJPIGBMX-KGLIPLIRSA-N 0 3 265.401 2.117 20 30 CEEDHN CCCN(C)CC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000359343492 371438358 /nfs/dbraw/zinc/43/83/58/371438358.db2.gz PAROLLQVCRYSDD-GFCCVEGCSA-N 0 3 259.353 2.077 20 30 CEEDHN C=CCC[C@@H](O)CN(C)Cc1c(C)nn(CC)c1C ZINC000639922865 371670429 /nfs/dbraw/zinc/67/04/29/371670429.db2.gz KXQARGNAITWLOB-CQSZACIVSA-N 0 3 265.401 2.279 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)CCCO1 ZINC000264546770 371998490 /nfs/dbraw/zinc/99/84/90/371998490.db2.gz JWKSCVVUOCKLPC-CYBMUJFWSA-N 0 3 260.337 2.200 20 30 CEEDHN CN1CCN(CCCSc2ccc(C#N)cc2F)CC1 ZINC000344157842 217078916 /nfs/dbraw/zinc/07/89/16/217078916.db2.gz BOEKMNFZQXGMCU-UHFFFAOYSA-N 0 3 293.411 2.427 20 30 CEEDHN C[C@@H](O)CN1CCN(c2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000266461092 372048002 /nfs/dbraw/zinc/04/80/02/372048002.db2.gz YRTLUDJZKXDCHY-NWDGAFQWSA-N 0 3 293.798 2.103 20 30 CEEDHN CCN1C[C@@H](C)N(CC#Cc2ccccc2)C[C@H]1C ZINC000361865290 372106701 /nfs/dbraw/zinc/10/67/01/372106701.db2.gz MKEAUALRZJLPKM-HZPDHXFCSA-N 0 3 256.393 2.453 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1cccc(OC(F)F)c1 ZINC000268795752 372225799 /nfs/dbraw/zinc/22/57/99/372225799.db2.gz HTTBYLWMXPGCAY-LLVKDONJSA-N 0 3 296.317 2.078 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@H](C)[C@H](C)C1 ZINC000362429971 372359731 /nfs/dbraw/zinc/35/97/31/372359731.db2.gz KSHZNPSTNZSAFK-QVHKTLOISA-N 0 3 265.401 2.017 20 30 CEEDHN C[C@@H]1CCC[C@H](CO)N1CCOc1ccc(C#N)cc1 ZINC000269675893 372529638 /nfs/dbraw/zinc/52/96/38/372529638.db2.gz CFHYRZYRCDPODR-UKRRQHHQSA-N 0 3 274.364 2.172 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(C)cc1-c1cnn(C)c1 ZINC000641774346 372717373 /nfs/dbraw/zinc/71/73/73/372717373.db2.gz MLWZQWZCYTWTJP-OAHLLOKOSA-N 0 3 271.364 2.032 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc(C)cc1-c1cnn(C)c1 ZINC000641767590 372705986 /nfs/dbraw/zinc/70/59/86/372705986.db2.gz MBVBTHSPBSLKLM-KRWDZBQOSA-N 0 3 297.402 2.259 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc(-c2cnn(C)c2)s1 ZINC000641768156 372707110 /nfs/dbraw/zinc/70/71/10/372707110.db2.gz XRDFVKNPQFJCNI-CYBMUJFWSA-N 0 3 289.404 2.013 20 30 CEEDHN CC#CC[C@H](CO)NC/C=C/c1ccc(F)c(F)c1 ZINC000641767930 372708421 /nfs/dbraw/zinc/70/84/21/372708421.db2.gz SHWJGLAMYXHWKF-MUBLQREKSA-N 0 3 265.303 2.342 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cc(C)ccc1OC(F)F ZINC000641767717 372708724 /nfs/dbraw/zinc/70/87/24/372708724.db2.gz PRZRUARFKPDFJS-ZDUSSCGKSA-N 0 3 283.318 2.460 20 30 CEEDHN CC#CC[C@H](CO)NCc1cnc(-c2ccccn2)s1 ZINC000641769375 372712210 /nfs/dbraw/zinc/71/22/10/372712210.db2.gz UNHMQHNHHCOUKU-GFCCVEGCSA-N 0 3 287.388 2.069 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccco2)CC1 ZINC000364735334 372792522 /nfs/dbraw/zinc/79/25/22/372792522.db2.gz FFGHYAJEVATBGH-UONOGXRCSA-N 0 3 274.364 2.150 20 30 CEEDHN C[C@H](CO)N1CCCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000364955056 372799284 /nfs/dbraw/zinc/79/92/84/372799284.db2.gz PLNJFBYWJVSDBU-GFCCVEGCSA-N 0 3 293.798 2.105 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(C#N)cc1 ZINC000344684207 217274585 /nfs/dbraw/zinc/27/45/85/217274585.db2.gz BXSLHBDQBVVRPA-HNNXBMFYSA-N 0 3 285.391 2.408 20 30 CEEDHN C#Cc1ccc(CN2CC[C@H](n3cccn3)C2)cc1 ZINC000365830406 372947687 /nfs/dbraw/zinc/94/76/87/372947687.db2.gz GHLBXUJJBFORHJ-INIZCTEOSA-N 0 3 251.333 2.311 20 30 CEEDHN CN(C)CCOC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000353523637 220136358 /nfs/dbraw/zinc/13/63/58/220136358.db2.gz YBGCCIUTCLNDGQ-UHFFFAOYSA-N 0 3 293.436 2.162 20 30 CEEDHN N#CC1(c2ccccc2)CC(NCCN2CC=CCC2)C1 ZINC000366251827 373016754 /nfs/dbraw/zinc/01/67/54/373016754.db2.gz QGXGNBHJZIXTAP-UHFFFAOYSA-N 0 3 281.403 2.462 20 30 CEEDHN C#CCCCCC(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000367628285 373168104 /nfs/dbraw/zinc/16/81/04/373168104.db2.gz FSZNVNWNBRRQJJ-IAGOWNOFSA-N 0 3 284.403 2.394 20 30 CEEDHN C[C@H](NC[C@H](O)C1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000271969305 373239140 /nfs/dbraw/zinc/23/91/40/373239140.db2.gz TZXQJTVUOAHQGM-ZBEGNZNMSA-N 0 3 292.354 2.135 20 30 CEEDHN C/C=C/C[C@H](CO)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353582531 220170979 /nfs/dbraw/zinc/17/09/79/220170979.db2.gz SDDMVZIKOBBHCS-XHCBAJNBSA-N 0 3 256.349 2.462 20 30 CEEDHN C#CCCN(CCOC)[C@@H]1CCCc2cccnc21 ZINC000369017941 373313619 /nfs/dbraw/zinc/31/36/19/373313619.db2.gz JUBZWUKEQBMDRC-OAHLLOKOSA-N 0 3 258.365 2.431 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272438250 373484513 /nfs/dbraw/zinc/48/45/13/373484513.db2.gz OFEWQJQKUHATLU-GDBMZVCRSA-N 0 3 298.390 2.425 20 30 CEEDHN C=CCc1cc(CN2CC[C@@H]([C@@H](C)O)C2)cc(OC)c1O ZINC000272580546 373562864 /nfs/dbraw/zinc/56/28/64/373562864.db2.gz XZASKMJIOZWCDN-IUODEOHRSA-N 0 3 291.391 2.332 20 30 CEEDHN C=CCS(=O)(=O)CCNC1CC(c2cccc(F)c2)C1 ZINC000272920789 373713245 /nfs/dbraw/zinc/71/32/45/373713245.db2.gz JPWHPVSFBGZEOX-UHFFFAOYSA-N 0 3 297.395 2.262 20 30 CEEDHN CCSCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000370731701 373728381 /nfs/dbraw/zinc/72/83/81/373728381.db2.gz ZHSQWDAVLIPDPA-ZDUSSCGKSA-N 0 3 277.393 2.159 20 30 CEEDHN COCC#CCN[C@H](c1ccccc1)C1(CO)CCC1 ZINC000645020497 373827984 /nfs/dbraw/zinc/82/79/84/373827984.db2.gz CYWKCTNJGODJNJ-MRXNPFEDSA-N 0 3 273.376 2.130 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(C(=O)NC3CC3)c2)C1 ZINC000574475668 335022837 /nfs/dbraw/zinc/02/28/37/335022837.db2.gz DGYOXCFZFLRLGJ-MLGOLLRUSA-N 0 3 283.375 2.361 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000645526303 374093860 /nfs/dbraw/zinc/09/38/60/374093860.db2.gz HYRPBJGYEDZAOL-ZDUSSCGKSA-N 0 3 267.417 2.324 20 30 CEEDHN C[C@H](OC[C@@H]1CCCCO1)C(=O)NCC1=CCN(C)CC1 ZINC000329224180 227362304 /nfs/dbraw/zinc/36/23/04/227362304.db2.gz ZGGFDHGPNXVTEQ-ZFWWWQNUSA-N 0 3 296.411 2.179 20 30 CEEDHN C=CCCN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000277000835 374375018 /nfs/dbraw/zinc/37/50/18/374375018.db2.gz WGMYIDDPOLIORA-DZGCQCFKSA-N 0 3 280.318 2.402 20 30 CEEDHN CS[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1N(C)C ZINC000277090331 374400328 /nfs/dbraw/zinc/40/03/28/374400328.db2.gz YVMDEYJXYQOQPV-HZPDHXFCSA-N 0 3 274.433 2.016 20 30 CEEDHN C#CCN(C)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000277023983 374382172 /nfs/dbraw/zinc/38/21/72/374382172.db2.gz RJQOOMJTIIVASC-NVXWUHKLSA-N 0 3 273.376 2.007 20 30 CEEDHN Cn1cc(CN2CCCO[C@@H]3CCC[C@@H]32)cc1C#N ZINC000373818001 374424618 /nfs/dbraw/zinc/42/46/18/374424618.db2.gz GGGSDBOPEOFSDL-LSDHHAIUSA-N 0 3 259.353 2.040 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000374047741 374474636 /nfs/dbraw/zinc/47/46/36/374474636.db2.gz DOQZJYGMWHJYPK-CQSZACIVSA-N 0 3 267.336 2.056 20 30 CEEDHN N#Cc1cccc(OCCN2CCC[C@H]3COC[C@H]32)c1 ZINC000374315599 374539359 /nfs/dbraw/zinc/53/93/59/374539359.db2.gz VQYKENCLLCRBQU-GOEBONIOSA-N 0 3 272.348 2.048 20 30 CEEDHN CC#CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000277629635 374586564 /nfs/dbraw/zinc/58/65/64/374586564.db2.gz JGHDWCNAZCQHQO-CYBMUJFWSA-N 0 3 276.405 2.100 20 30 CEEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000277960096 374695913 /nfs/dbraw/zinc/69/59/13/374695913.db2.gz WUFREBGALLLOMN-MRXNPFEDSA-N 0 3 270.376 2.181 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC2(CCOCC2)CC1 ZINC000375278471 374649654 /nfs/dbraw/zinc/64/96/54/374649654.db2.gz LEBNWYBYOSQLRB-UHFFFAOYSA-N 0 3 294.439 2.304 20 30 CEEDHN N#Cc1cc(NCCN2CC=CCC2)ccc1[N+](=O)[O-] ZINC000280247794 375142435 /nfs/dbraw/zinc/14/24/35/375142435.db2.gz MYBRJIYGZMTQLP-UHFFFAOYSA-N 0 3 272.308 2.140 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@](C)(OC)CC1 ZINC000280301178 375163364 /nfs/dbraw/zinc/16/33/64/375163364.db2.gz FSMHFFLDNFZEJW-MRXNPFEDSA-N 0 3 280.412 2.078 20 30 CEEDHN C=CC[C@H](CO)NCc1ccnn1-c1ccccc1C ZINC000684395917 541993794 /nfs/dbraw/zinc/99/37/94/541993794.db2.gz JHCDYKSMXKLLFC-CQSZACIVSA-N 0 3 271.364 2.207 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)c1cc(C#N)oc1C ZINC000280765470 375313422 /nfs/dbraw/zinc/31/34/22/375313422.db2.gz ZAHRZLTZOMFOOQ-ZDUSSCGKSA-N 0 3 289.379 2.454 20 30 CEEDHN C=CCN1CC[C@H](N(C)Cc2cc(C)c(C)cc2O)C1=O ZINC000281190239 375362020 /nfs/dbraw/zinc/36/20/20/375362020.db2.gz IHERHIULSPWWGT-HNNXBMFYSA-N 0 3 288.391 2.228 20 30 CEEDHN C[C@@H](NCC1([S@@](C)=O)CC1)c1ccc(C#N)c(F)c1 ZINC000282171052 375420785 /nfs/dbraw/zinc/42/07/85/375420785.db2.gz DZUPGIZTLPKOTN-GIGQVBGESA-N 0 3 280.368 2.259 20 30 CEEDHN CN(C)[C@]1(CNC(=O)C2(C#N)CCCCC2)CCSC1 ZINC000408332660 375455905 /nfs/dbraw/zinc/45/59/05/375455905.db2.gz YFYUDVRBHDINBS-HNNXBMFYSA-N 0 3 295.452 2.014 20 30 CEEDHN C=CCOCCNCc1ccnn1-c1ccccc1OC ZINC000684664053 542051007 /nfs/dbraw/zinc/05/10/07/542051007.db2.gz KTUHETRPIGRHKL-UHFFFAOYSA-N 0 3 287.363 2.173 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCCCC[C@H]1C[C@H](C)O ZINC000286210807 375872767 /nfs/dbraw/zinc/87/27/67/375872767.db2.gz YHWLJZVNAPRHLX-HOTGVXAUSA-N 0 3 294.439 2.203 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2cc(N)ccc2F)CC1 ZINC000415894619 376029041 /nfs/dbraw/zinc/02/90/41/376029041.db2.gz BSCZUJJFGAYDGR-UHFFFAOYSA-N 0 3 292.358 2.180 20 30 CEEDHN CN(C)C1(CNC(=O)c2cc(C#N)ccc2Cl)CCC1 ZINC000286813673 376073237 /nfs/dbraw/zinc/07/32/37/376073237.db2.gz PTTJCPIQQCJYGW-UHFFFAOYSA-N 0 3 291.782 2.426 20 30 CEEDHN CC[C@@H](C)N(CCO)Cc1ccc(C#N)cc1F ZINC000287526824 376251999 /nfs/dbraw/zinc/25/19/99/376251999.db2.gz VGELLTISCXHZIQ-LLVKDONJSA-N 0 3 250.317 2.290 20 30 CEEDHN C=C(C)CN(CC)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418647810 376317617 /nfs/dbraw/zinc/31/76/17/376317617.db2.gz YRGGFACGSWYVIL-INIZCTEOSA-N 0 3 287.407 2.481 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419389848 376450205 /nfs/dbraw/zinc/45/02/05/376450205.db2.gz HRHZXLRKBZOART-GUIRCDHDSA-N 0 3 265.401 2.017 20 30 CEEDHN CSCC[C@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000305804644 376497408 /nfs/dbraw/zinc/49/74/08/376497408.db2.gz FWSZNMBEBOGUET-CMPLNLGQSA-N 0 3 282.384 2.462 20 30 CEEDHN N#Cc1ccc(CNC[C@]2(CO)C[C@H]2c2ccccc2)o1 ZINC000289999690 376596168 /nfs/dbraw/zinc/59/61/68/376596168.db2.gz YAVAABHYRNWODO-IRXDYDNUSA-N 0 3 282.343 2.407 20 30 CEEDHN C=CCC[C@@H](CO)NCc1c(C)nc2ccccn21 ZINC000320627363 376825273 /nfs/dbraw/zinc/82/52/73/376825273.db2.gz JQKJZOJIJJWQJH-ZDUSSCGKSA-N 0 3 259.353 2.059 20 30 CEEDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1nccn2ccnc12 ZINC000328797844 376899917 /nfs/dbraw/zinc/89/99/17/376899917.db2.gz FOIRQKFYYGYIBC-GFCCVEGCSA-N 0 3 299.378 2.051 20 30 CEEDHN C[C@@H](CNC(=O)[C@@H]1C[C@H](C)CC(=O)N1)N(C)C1CC1 ZINC000328772409 376894818 /nfs/dbraw/zinc/89/48/18/376894818.db2.gz BEBIKHDWBAUXLR-NHCYSSNCSA-N 0 3 267.373 2.181 20 30 CEEDHN C=CCc1cc(OC)ccc1OC[C@H](O)CN(C)C1CC1 ZINC000290771212 376917542 /nfs/dbraw/zinc/91/75/42/376917542.db2.gz LOUITLZMCIQEGS-OAHLLOKOSA-N 0 3 291.391 2.258 20 30 CEEDHN COC1(C(=O)NC[C@H]2CCCCN2C2CC2)CCOCC1 ZINC000328904766 376921302 /nfs/dbraw/zinc/92/13/02/376921302.db2.gz JNBYUVSRRITKRG-CQSZACIVSA-N 0 3 296.411 2.155 20 30 CEEDHN COc1cc(CNC[C@](C)(OC)C2CC2)ccc1C#N ZINC000290994833 377022497 /nfs/dbraw/zinc/02/24/97/377022497.db2.gz AOAJXARVEJRDNU-INIZCTEOSA-N 0 3 274.364 2.472 20 30 CEEDHN C[C@H](NC(=O)[C@H]1CCn2ccnc2C1)C1=CCN(C)CC1 ZINC000329702878 376999039 /nfs/dbraw/zinc/99/90/39/376999039.db2.gz IJYFSVLUSIYDNE-JSGCOSHPSA-N 0 3 288.395 2.052 20 30 CEEDHN O=C(N[C@@H]1CCCC[C@H]1O)[C@H](C1CC1)N1CCCC1 ZINC000330157954 377062728 /nfs/dbraw/zinc/06/27/28/377062728.db2.gz PSKTXNJSVSPWKZ-MCIONIFRSA-N 0 3 266.385 2.121 20 30 CEEDHN C[C@H](CNc1ncc2c(c1C#N)CCC2)N1CCC[C@@H](C)C1 ZINC000563018997 377062870 /nfs/dbraw/zinc/06/28/70/377062870.db2.gz NZCDJPXXYZOXPO-ZIAGYGMSSA-N 0 3 298.434 2.396 20 30 CEEDHN C=CCN[C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291311129 377169828 /nfs/dbraw/zinc/16/98/28/377169828.db2.gz TTWBFBIGFRSFSO-GFCCVEGCSA-N 0 3 259.353 2.443 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](N2CCOCC2)C1 ZINC000563364477 377189028 /nfs/dbraw/zinc/18/90/28/377189028.db2.gz NKWRVMKRXGSYNO-QAPCUYQASA-N 0 3 299.418 2.416 20 30 CEEDHN CCN(CC#Cc1ccc(Cl)cc1)[C@H](C)CO ZINC000292206607 377230619 /nfs/dbraw/zinc/23/06/19/377230619.db2.gz OCSPJBDFPJSSKG-GFCCVEGCSA-N 0 3 251.757 2.394 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000292564965 377253086 /nfs/dbraw/zinc/25/30/86/377253086.db2.gz UQCYENWIJLUKHM-QWHCGFSZSA-N 0 3 291.420 2.206 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1ccccc1Cl ZINC000264884656 190141674 /nfs/dbraw/zinc/14/16/74/190141674.db2.gz RXVADTFYJXSDFN-LLVKDONJSA-N 0 3 264.756 2.130 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1C[C@@H](C)[C@H]1C ZINC000292867615 377322819 /nfs/dbraw/zinc/32/28/19/377322819.db2.gz ATZHPCGHIUUKSB-VXGBXAGGSA-N 0 3 260.337 2.286 20 30 CEEDHN CC(C)[C@H](NCc1ccc(C#N)o1)C1(CO)CCC1 ZINC000292872802 377325341 /nfs/dbraw/zinc/32/53/41/377325341.db2.gz WPUJDZBNHBURQN-AWEZNQCLSA-N 0 3 262.353 2.428 20 30 CEEDHN CN1C[C@@H]2CCCN(C(=O)[C@@]3(C#N)CC34CCCC4)[C@@H]2C1 ZINC000425067110 377328677 /nfs/dbraw/zinc/32/86/77/377328677.db2.gz QRPPFVZMFCDPCS-VBQJREDUSA-N 0 3 287.407 2.013 20 30 CEEDHN C=CCCOCCCCC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425065232 377328969 /nfs/dbraw/zinc/32/89/69/377328969.db2.gz KNHNMDTYDONTBH-JKSUJKDBSA-N 0 3 294.439 2.302 20 30 CEEDHN C[C@]1(CO)CCC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000331147807 377303619 /nfs/dbraw/zinc/30/36/19/377303619.db2.gz HJWKTPVXMZVNQV-LSDHHAIUSA-N 0 3 262.328 2.338 20 30 CEEDHN CN(CCNc1snc(Cl)c1C#N)C1CC1 ZINC000264923686 190144540 /nfs/dbraw/zinc/14/45/40/190144540.db2.gz MQUVHWPMFNONDM-UHFFFAOYSA-N 0 3 256.762 2.174 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425730220 377381114 /nfs/dbraw/zinc/38/11/14/377381114.db2.gz YJRXYZVFOIIZSA-SOUVJXGZSA-N 0 3 279.428 2.467 20 30 CEEDHN C[C@@H](C(=O)NCCc1cccc(C#N)c1)N1CCCCCC1 ZINC000331457599 377435532 /nfs/dbraw/zinc/43/55/32/377435532.db2.gz MKEJHEUZUIKCQK-HNNXBMFYSA-N 0 3 299.418 2.481 20 30 CEEDHN CN1CCN(CCCSc2cccc(F)c2C#N)CC1 ZINC000564739037 377445405 /nfs/dbraw/zinc/44/54/05/377445405.db2.gz AEUFWWYHMKAONW-UHFFFAOYSA-N 0 3 293.411 2.427 20 30 CEEDHN COc1cc(CNC[C@]2(O)CCC[C@@H]2C)ccc1C#N ZINC000293039014 377403872 /nfs/dbraw/zinc/40/38/72/377403872.db2.gz QNCUQHXIVJEWNQ-BLLLJJGKSA-N 0 3 274.364 2.208 20 30 CEEDHN CCN(CCC#N)C(=O)[C@H](C)N1CCCCCC1 ZINC000426526106 377415690 /nfs/dbraw/zinc/41/56/90/377415690.db2.gz XRZFIZSFBMSYGT-ZDUSSCGKSA-N 0 3 251.374 2.013 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(C)(F)F ZINC000293172972 377456866 /nfs/dbraw/zinc/45/68/66/377456866.db2.gz SBXOWNMTFRJSST-UHFFFAOYSA-N 0 3 295.333 2.104 20 30 CEEDHN C#CCCNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000265060605 190154950 /nfs/dbraw/zinc/15/49/50/190154950.db2.gz LTNPLLDWMGSFIO-CQSZACIVSA-N 0 3 293.436 2.454 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@H](O)[C@H](C)C1 ZINC000428462906 377493310 /nfs/dbraw/zinc/49/33/10/377493310.db2.gz MHBXGRYPNDLQKP-HIFRSBDPSA-N 0 3 261.365 2.454 20 30 CEEDHN Cc1ccc2ncc(CNCC3(CC#N)CC3)n2c1 ZINC000430060578 377526074 /nfs/dbraw/zinc/52/60/74/377526074.db2.gz OFAPTTHFKGPFSN-UHFFFAOYSA-N 0 3 254.337 2.426 20 30 CEEDHN C=CC[C@@H](C)NC(=O)c1ccccc1OCCN(C)C ZINC000265318420 190174523 /nfs/dbraw/zinc/17/45/23/190174523.db2.gz HIJFMPFRHXEXLD-CYBMUJFWSA-N 0 3 276.380 2.321 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000265322945 190174646 /nfs/dbraw/zinc/17/46/46/190174646.db2.gz RBYUMHDOIAGRML-FVNWOWOISA-N 0 3 297.402 2.372 20 30 CEEDHN C[C@@H]1C[C@@H](C)CCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000265801370 190207901 /nfs/dbraw/zinc/20/79/01/190207901.db2.gz BXSCHULKAOJPQP-UONOGXRCSA-N 0 3 285.391 2.295 20 30 CEEDHN CCN(C[C@H]1CCCN1CC)C(=O)C1(C#N)CC(C)C1 ZINC000565616958 377682248 /nfs/dbraw/zinc/68/22/48/377682248.db2.gz IOLQHVIDKYVWGO-NPCAHTBFSA-N 0 3 277.412 2.259 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000333537344 377777327 /nfs/dbraw/zinc/77/73/27/377777327.db2.gz KIZKXKOQKWQCAI-SUYBPPKGSA-N 0 3 287.407 2.059 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccccn1 ZINC000433122106 377779578 /nfs/dbraw/zinc/77/95/78/377779578.db2.gz PJAZYRHPZJSPBB-OAHLLOKOSA-N 0 3 279.343 2.470 20 30 CEEDHN CCOCCCNC(=O)C(C#N)CCc1ccccc1 ZINC000433113465 377780435 /nfs/dbraw/zinc/78/04/35/377780435.db2.gz CJCKMSRLASGTCC-OAHLLOKOSA-N 0 3 274.364 2.302 20 30 CEEDHN COCC1(C#N)CCN(CCC2CCOCC2)CC1 ZINC000433185079 377781068 /nfs/dbraw/zinc/78/10/68/377781068.db2.gz ADYDBLGKELJJDQ-UHFFFAOYSA-N 0 3 266.385 2.055 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCCCn1cccn1 ZINC000433235864 377782771 /nfs/dbraw/zinc/78/27/71/377782771.db2.gz WZPUWNPITNQNEZ-INIZCTEOSA-N 0 3 296.374 2.162 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000333206406 377756945 /nfs/dbraw/zinc/75/69/45/377756945.db2.gz OQJKYTBPHAZFFB-PBHICJAKSA-N 0 3 289.423 2.451 20 30 CEEDHN CC(C)(C#N)CCCCN1CCC[C@@]12CCNC2=O ZINC000566805758 377772475 /nfs/dbraw/zinc/77/24/75/377772475.db2.gz UGLLCYUXTBQULD-HNNXBMFYSA-N 0 3 263.385 2.061 20 30 CEEDHN C=CCCCCN1CCN(CC2CCOCC2)CC1 ZINC000567337642 377817175 /nfs/dbraw/zinc/81/71/75/377817175.db2.gz ZFWNMWSTGPNVKI-UHFFFAOYSA-N 0 3 266.429 2.387 20 30 CEEDHN CC(C)C1(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000439634031 377927195 /nfs/dbraw/zinc/92/71/95/377927195.db2.gz MYILWDJQJARWHX-CQSZACIVSA-N 0 3 271.364 2.110 20 30 CEEDHN CC#CCN(C)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000294702767 378014620 /nfs/dbraw/zinc/01/46/20/378014620.db2.gz XKBURBRPJJODHZ-UHFFFAOYSA-N 0 3 270.376 2.378 20 30 CEEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)C(=O)N1CCCC[C@@H]1C ZINC000442786417 377993861 /nfs/dbraw/zinc/99/38/61/377993861.db2.gz ZIXAWMMJMQFNEC-IGQOVBAYSA-N 0 3 263.385 2.058 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCCCS(=O)(=O)c2ccccc2)C1 ZINC000442777535 377994135 /nfs/dbraw/zinc/99/41/35/377994135.db2.gz IYTYGSMEASNQTP-ZIAGYGMSSA-N 0 3 292.404 2.132 20 30 CEEDHN C#CCN(C)CCCN[C@H](C)c1csc(C)n1 ZINC000294544565 377996606 /nfs/dbraw/zinc/99/66/06/377996606.db2.gz ATWQXGSXOLXPNA-LLVKDONJSA-N 0 3 251.399 2.057 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CC1(F)F)C(C)C ZINC000294980834 378032983 /nfs/dbraw/zinc/03/29/83/378032983.db2.gz RXZCNAQEGTXWIT-STQMWFEESA-N 0 3 286.366 2.456 20 30 CEEDHN C[C@@H]1CN(CC(C)(C)O)CCN1CCCCC(C)(C)C#N ZINC000444686665 378078005 /nfs/dbraw/zinc/07/80/05/378078005.db2.gz XSUNJBNJQNEESD-OAHLLOKOSA-N 0 3 295.471 2.483 20 30 CEEDHN C=CC[C@H]1N(CC(=O)NC(=O)NCCC)CCCC1(C)C ZINC000444781736 378079783 /nfs/dbraw/zinc/07/97/83/378079783.db2.gz HEMYDRODHZMOKH-CYBMUJFWSA-N 0 3 295.427 2.289 20 30 CEEDHN CC(C)[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000446731665 378086570 /nfs/dbraw/zinc/08/65/70/378086570.db2.gz KDTCCEAQPXBTCH-UKRRQHHQSA-N 0 3 265.401 2.019 20 30 CEEDHN CSCc1cc(F)ccc1CNC(=O)C(C)C#N ZINC000446505825 378086584 /nfs/dbraw/zinc/08/65/84/378086584.db2.gz RBMWFMMCQZFTOG-SECBINFHSA-N 0 3 266.341 2.465 20 30 CEEDHN COc1ccc(-n2cc(CNCCCC#N)cn2)cc1 ZINC000449236070 378199118 /nfs/dbraw/zinc/19/91/18/378199118.db2.gz WUIMTIWWSVQOKZ-UHFFFAOYSA-N 0 3 270.336 2.274 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnn(C(C)(C)C)c1 ZINC000449547529 378216822 /nfs/dbraw/zinc/21/68/22/378216822.db2.gz IMSZBGXJWWAAIE-KGLIPLIRSA-N 0 3 263.385 2.461 20 30 CEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@]2(C#N)C[C@H]2C)C1 ZINC000448772440 378183754 /nfs/dbraw/zinc/18/37/54/378183754.db2.gz DPHNEDDGOXBETN-AHEZYBDSSA-N 0 3 297.402 2.488 20 30 CEEDHN C=CCOc1ccc(CN2C[C@H](C)C[C@@H](O)C2)cc1OC ZINC000449769203 378229139 /nfs/dbraw/zinc/22/91/39/378229139.db2.gz UOGPEGUJTWPRFM-UKRRQHHQSA-N 0 3 291.391 2.463 20 30 CEEDHN C[C@H](CO)[C@H](C)NCc1ccc(Cl)cc1C#N ZINC000295843509 378327111 /nfs/dbraw/zinc/32/71/11/378327111.db2.gz XBLMGORKGKHOPF-ZJUUUORDSA-N 0 3 252.745 2.318 20 30 CEEDHN C[C@@H](CO)[C@@H](C)NCc1ccc(Cl)cc1C#N ZINC000295843507 378327272 /nfs/dbraw/zinc/32/72/72/378327272.db2.gz XBLMGORKGKHOPF-VHSXEESVSA-N 0 3 252.745 2.318 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1C[C@@H](C)n2ccnc21 ZINC000296376593 378509000 /nfs/dbraw/zinc/50/90/00/378509000.db2.gz IXNRORWKGASOPH-MQYQWHSLSA-N 0 3 261.369 2.460 20 30 CEEDHN C=CCCOCCN[C@H]1COc2ccc(OC)cc2C1 ZINC000296996372 378661708 /nfs/dbraw/zinc/66/17/08/378661708.db2.gz SPJZGEXXFPTCNS-CQSZACIVSA-N 0 3 277.364 2.181 20 30 CEEDHN CC#CCN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000297170231 378669325 /nfs/dbraw/zinc/66/93/25/378669325.db2.gz ADFZFUXXVJYMDO-HOCLYGCPSA-N 0 3 287.407 2.343 20 30 CEEDHN C[C@H]1CCC(C)(C)N1CC(=O)NCc1ccc(C#N)cc1 ZINC000452016088 378726251 /nfs/dbraw/zinc/72/62/51/378726251.db2.gz WCTFBGULNOJISJ-ZDUSSCGKSA-N 0 3 285.391 2.437 20 30 CEEDHN Cc1nc(CCNCc2ccc(C#N)cc2)c(C)o1 ZINC000346818871 218023194 /nfs/dbraw/zinc/02/31/94/218023194.db2.gz FSMQINRTFXKDNK-UHFFFAOYSA-N 0 3 255.321 2.495 20 30 CEEDHN COC1([C@H](C)NCc2cc(C#N)ccc2F)CCOCC1 ZINC000453154227 378819418 /nfs/dbraw/zinc/81/94/18/378819418.db2.gz RHCBWYWTFDBNSP-LBPRGKRZSA-N 0 3 292.354 2.371 20 30 CEEDHN C#Cc1ccc(CN2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000278481057 194004289 /nfs/dbraw/zinc/00/42/89/194004289.db2.gz AQQHVYHWGFHUIN-JKSUJKDBSA-N 0 3 273.401 2.374 20 30 CEEDHN O=C(NCC#Cc1ccccc1)C1CCN(C2CC2)CC1 ZINC000278541411 194034186 /nfs/dbraw/zinc/03/41/86/194034186.db2.gz MYHBWPSGJZURGM-UHFFFAOYSA-N 0 3 282.387 2.029 20 30 CEEDHN N#Cc1ccnc(N2CCN(C3CCCCC3)CC2)c1 ZINC000299385791 378978418 /nfs/dbraw/zinc/97/84/18/378978418.db2.gz YEAXMHSOFIMGHT-UHFFFAOYSA-N 0 3 270.380 2.408 20 30 CEEDHN Cc1nc(C(C#N)C(=O)Nc2nccs2)sc1C ZINC000505454520 379077802 /nfs/dbraw/zinc/07/78/02/379077802.db2.gz BQUKESQDZYZUSO-MRVPVSSYSA-N 0 3 278.362 2.462 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(F)c(C#N)c1 ZINC000278724567 194123141 /nfs/dbraw/zinc/12/31/41/194123141.db2.gz TWQGZCIVMFJVBW-GFCCVEGCSA-N 0 3 289.354 2.302 20 30 CEEDHN CCOC1CC(N(C)CCOc2ccc(C#N)cc2)C1 ZINC000347450881 218239157 /nfs/dbraw/zinc/23/91/57/218239157.db2.gz LBCSDMYNMVVPKH-UHFFFAOYSA-N 0 3 274.364 2.436 20 30 CEEDHN C=CC[C@@H](C)NC(=O)Nc1cccc2c1CCNC2 ZINC000519633709 379450206 /nfs/dbraw/zinc/45/02/06/379450206.db2.gz VKYCGVGYMQCQET-LLVKDONJSA-N 0 3 259.353 2.418 20 30 CEEDHN C=CCCC1(C(=O)NC[C@H]2CCCN(C)C2)CC1 ZINC000526996554 379720541 /nfs/dbraw/zinc/72/05/41/379720541.db2.gz NRTJQHMBVZGQGE-CYBMUJFWSA-N 0 3 250.386 2.191 20 30 CEEDHN C#CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000267339297 190322388 /nfs/dbraw/zinc/32/23/88/190322388.db2.gz GMYSHTWILHMOTR-DOTOQJQBSA-N 0 3 299.418 2.220 20 30 CEEDHN N#CC1(C[C@@H](O)CN2CC[C@H](Nc3ccccc3)C2)CC1 ZINC000528413460 379964466 /nfs/dbraw/zinc/96/44/66/379964466.db2.gz CFDXYIPLSCQVFH-JKSUJKDBSA-N 0 3 285.391 2.228 20 30 CEEDHN CC[C@H]1CCCN1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528372926 379950472 /nfs/dbraw/zinc/95/04/72/379950472.db2.gz PXRFNJJPBSCDTL-AWEZNQCLSA-N 0 3 296.370 2.160 20 30 CEEDHN C[C@@H]1C[C@H](C)CN1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528385931 379954683 /nfs/dbraw/zinc/95/46/83/379954683.db2.gz FVLLZMFXXULFGJ-UONOGXRCSA-N 0 3 296.370 2.016 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000470167094 380071155 /nfs/dbraw/zinc/07/11/55/380071155.db2.gz LRBBYEDHPVSNHX-BZUAXINKSA-N 0 3 292.423 2.101 20 30 CEEDHN C=CCc1cc(CN2C[C@H](O)C[C@H]2C)cc(OC)c1O ZINC000471809189 380072376 /nfs/dbraw/zinc/07/23/76/380072376.db2.gz HIXHWQWBEMAXEM-BXUZGUMPSA-N 0 3 277.364 2.084 20 30 CEEDHN C[C@]1(CO)CN(CCC2(C#N)CCCCC2)C[C@@]1(C)CO ZINC000528753096 380079109 /nfs/dbraw/zinc/07/91/09/380079109.db2.gz LIOTUEKSOXFIPR-IYBDPMFKSA-N 0 3 294.439 2.163 20 30 CEEDHN C[C@@H](CC(=O)C(C#N)C(=O)N1CCCC1)c1ccco1 ZINC000528916676 380135763 /nfs/dbraw/zinc/13/57/63/380135763.db2.gz RIQXOFZKPRACOJ-RYUDHWBXSA-N 0 3 274.320 2.104 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000268140382 190379762 /nfs/dbraw/zinc/37/97/62/190379762.db2.gz CFQUHEPQWDLRPA-CQSZACIVSA-N 0 3 250.386 2.307 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C/c1ccc(C#N)cc1 ZINC000268143693 190380537 /nfs/dbraw/zinc/38/05/37/190380537.db2.gz DSYGTWFHFOJZBG-COYVBCABSA-N 0 3 295.386 2.170 20 30 CEEDHN CCC(C#N)(CC)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000528811420 380107797 /nfs/dbraw/zinc/10/77/97/380107797.db2.gz UUFBKENVVYBKRC-VXGBXAGGSA-N 0 3 263.385 2.058 20 30 CEEDHN C[C@H]1C[C@H]1N1CCN(c2cccnc2C#N)C[C@@H](C)C1 ZINC000488733872 380125007 /nfs/dbraw/zinc/12/50/07/380125007.db2.gz PTPVTAMQFAXXNY-DVOMOZLQSA-N 0 3 270.380 2.120 20 30 CEEDHN CCc1nnc(N[C@H]2CCN(C(C)C)C2)c(C#N)c1CC ZINC000268192518 190384896 /nfs/dbraw/zinc/38/48/96/190384896.db2.gz WLZCKGRDBFFTBG-LBPRGKRZSA-N 0 3 287.411 2.368 20 30 CEEDHN C#CCCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268346364 190396963 /nfs/dbraw/zinc/39/69/63/190396963.db2.gz ZUOOKNIKXCJIAM-QGZVFWFLSA-N 0 3 299.418 2.364 20 30 CEEDHN COc1cc(CN2CC[C@H](O)CC23CCC3)ccc1C#N ZINC000333860873 380166945 /nfs/dbraw/zinc/16/69/45/380166945.db2.gz PVXAOUJXYGFDLB-HNNXBMFYSA-N 0 3 286.375 2.446 20 30 CEEDHN C#C[C@H](C)N(C)C[C@H](O)COc1cc(C)ccc1Cl ZINC000491375227 380312140 /nfs/dbraw/zinc/31/21/40/380312140.db2.gz VHIYKVOYUUYFOY-STQMWFEESA-N 0 3 281.783 2.342 20 30 CEEDHN CC[C@H](C(=O)N(CCC#N)C(C)C)N(CC)CC ZINC000545188770 380373811 /nfs/dbraw/zinc/37/38/11/380373811.db2.gz VTJSTPOSCICRLN-CYBMUJFWSA-N 0 3 253.390 2.257 20 30 CEEDHN CCc1nncn1CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000547386272 380436346 /nfs/dbraw/zinc/43/63/46/380436346.db2.gz AAJBITIEGNHZPY-LLVKDONJSA-N 0 3 287.342 2.202 20 30 CEEDHN CC(C)C[C@@]1(CO)CCCN1Cc1ccc(C#N)cn1 ZINC000551059350 380635538 /nfs/dbraw/zinc/63/55/38/380635538.db2.gz JHLHZKDGRIJQRM-MRXNPFEDSA-N 0 3 273.380 2.326 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000334566609 380606488 /nfs/dbraw/zinc/60/64/88/380606488.db2.gz SLMDIEDTJALHGX-QWHCGFSZSA-N 0 3 250.386 2.141 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000556085918 380868384 /nfs/dbraw/zinc/86/83/84/380868384.db2.gz YCWYZAQCLMFZJC-SFHVURJKSA-N 0 3 299.418 2.245 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C/c2ccncc2C)CC1 ZINC000493802224 381146371 /nfs/dbraw/zinc/14/63/71/381146371.db2.gz IWMOFHCTIFUYQB-SNAWJCMRSA-N 0 3 285.391 2.170 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)NCCN1CCC[C@H](C)C1 ZINC000494661962 381161958 /nfs/dbraw/zinc/16/19/58/381161958.db2.gz QODVZVRJNUFDLR-GJZGRUSLSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CCOCCN1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000495794838 381185516 /nfs/dbraw/zinc/18/55/16/381185516.db2.gz NKPSJWATGIUYNG-CQSZACIVSA-N 0 3 298.427 2.378 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N2C[C@@H](C)NC[C@H]2C)c1 ZINC000334856260 207194277 /nfs/dbraw/zinc/19/42/77/207194277.db2.gz NDVWXSFSRLNAAN-VXGBXAGGSA-N 0 3 272.352 2.081 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](C)CC(C)(C)C1 ZINC000344013751 285040108 /nfs/dbraw/zinc/04/01/08/285040108.db2.gz CQZOHMUUYRGKEC-ZIAGYGMSSA-N 0 3 279.428 2.363 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(CC(C)C)C1CC1 ZINC000076904186 285036607 /nfs/dbraw/zinc/03/66/07/285036607.db2.gz FREUEFJXGGZWMC-CYBMUJFWSA-N 0 3 265.401 2.115 20 30 CEEDHN C#CCCCC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000192091929 533003725 /nfs/dbraw/zinc/00/37/25/533003725.db2.gz HIFNGDXNTNRGBS-UHFFFAOYSA-N 0 3 272.392 2.380 20 30 CEEDHN C=CCOCCN[C@H](C)c1cnc2cc(C)nn2c1C ZINC000383581895 542368132 /nfs/dbraw/zinc/36/81/32/542368132.db2.gz HZLQHQMOCITXDT-GFCCVEGCSA-N 0 3 274.368 2.199 20 30 CEEDHN CC1CC(C#N)(C(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000574870399 335053632 /nfs/dbraw/zinc/05/36/32/335053632.db2.gz ZTEPYQDTRQQEBK-UHFFFAOYSA-N 0 3 277.412 2.164 20 30 CEEDHN COC(=O)CC1(CN(C)Cc2ccc(C#N)cc2)CC1 ZINC000281552508 195285064 /nfs/dbraw/zinc/28/50/64/195285064.db2.gz YZSSUIHHRZBAKG-UHFFFAOYSA-N 0 3 272.348 2.333 20 30 CEEDHN Cn1cc(CNCCOc2ccc(Cl)cn2)cc1C#N ZINC000191327049 130221929 /nfs/dbraw/zinc/22/19/29/130221929.db2.gz CLXLKUYBFIHFSA-UHFFFAOYSA-N 0 3 290.754 2.114 20 30 CEEDHN COc1ccc(COCCNCc2cc(C#N)n(C)c2)cc1 ZINC000191546397 130252743 /nfs/dbraw/zinc/25/27/43/130252743.db2.gz LIAKVUDRAXTMGQ-UHFFFAOYSA-N 0 3 299.374 2.212 20 30 CEEDHN N#Cc1cc(C(=O)N2CC[C@@H](N3CCCC3)C2)ccc1F ZINC000366766028 130394077 /nfs/dbraw/zinc/39/40/77/130394077.db2.gz WJTVYHQVDYLHSI-CQSZACIVSA-N 0 3 287.338 2.008 20 30 CEEDHN C=CCCOCC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000224927113 394468271 /nfs/dbraw/zinc/46/82/71/394468271.db2.gz XKQCXLXSIRNEMP-UHFFFAOYSA-N 0 3 251.326 2.083 20 30 CEEDHN CC1CCN(CCNc2ncc(C#N)cc2F)CC1 ZINC000413056154 394476001 /nfs/dbraw/zinc/47/60/01/394476001.db2.gz UFEJHMPXLKHQFX-UHFFFAOYSA-N 0 3 262.332 2.236 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000355646353 394486879 /nfs/dbraw/zinc/48/68/79/394486879.db2.gz WBYFSMRKZCVXPN-BYNSBNAKSA-N 0 3 294.439 2.203 20 30 CEEDHN C=CCCS(=O)(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000236755722 394487790 /nfs/dbraw/zinc/48/77/90/394487790.db2.gz DQZQMWLICKUDIG-HNNXBMFYSA-N 0 3 296.436 2.305 20 30 CEEDHN N#CC1(C(=O)NCCN2CCCCC2)CCCCC1 ZINC000044385962 394505715 /nfs/dbraw/zinc/50/57/15/394505715.db2.gz MLXSVXUWOSNVRS-UHFFFAOYSA-N 0 3 263.385 2.063 20 30 CEEDHN CC[C@H](NC(=O)N[C@H]1CCCN(CC)C1)C1CCOCC1 ZINC000329915047 394594040 /nfs/dbraw/zinc/59/40/40/394594040.db2.gz YCPKIMMEIXILGM-GJZGRUSLSA-N 0 3 297.443 2.180 20 30 CEEDHN Cc1nc(C)c(C(=O)N[C@H](C)C2=CCN(C)CC2)nc1C ZINC000329646699 394579253 /nfs/dbraw/zinc/57/92/53/394579253.db2.gz ZXYMMLOXOGCTLK-GFCCVEGCSA-N 0 3 288.395 2.357 20 30 CEEDHN C[C@@H](NC(=O)CC1(O)CCCC1)C1=CCN(C)CC1 ZINC000329714339 394580808 /nfs/dbraw/zinc/58/08/08/394580808.db2.gz SUTLRVKGFQZGGX-GFCCVEGCSA-N 0 3 266.385 2.289 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)/C=C\c1cccc(C#N)c1 ZINC000255575076 394583939 /nfs/dbraw/zinc/58/39/39/394583939.db2.gz DGPYUSSGVWVNDL-MBPXDVQNSA-N 0 3 297.402 2.370 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC12CC2 ZINC000421428158 394531325 /nfs/dbraw/zinc/53/13/25/394531325.db2.gz GTTDDXCUYRDCJA-MRXNPFEDSA-N 0 3 297.402 2.249 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CCCSCC2)CC1 ZINC000334190967 394661016 /nfs/dbraw/zinc/66/10/16/394661016.db2.gz IKJSYBSERDOGQL-UHFFFAOYSA-N 0 3 297.468 2.175 20 30 CEEDHN Cc1cnn(CC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000329951967 394597425 /nfs/dbraw/zinc/59/74/25/394597425.db2.gz MSASOBYBJBNNJW-CQSZACIVSA-N 0 3 276.384 2.165 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)c2cc(C)nc(OC)c2)C1 ZINC000330376098 394602241 /nfs/dbraw/zinc/60/22/41/394602241.db2.gz HKQHBJFCRISLMB-CYBMUJFWSA-N 0 3 277.368 2.188 20 30 CEEDHN C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)C1=CCN(C)CC1 ZINC000333683319 394650807 /nfs/dbraw/zinc/65/08/07/394650807.db2.gz LOYFTQQDFSKHLR-GUYCJALGSA-N 0 3 287.407 2.227 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)[C@@H]2C)CC1 ZINC000335129229 394740677 /nfs/dbraw/zinc/74/06/77/394740677.db2.gz GSEDGEVTHVOPGA-STQMWFEESA-N 0 3 265.401 2.077 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000334329160 394675209 /nfs/dbraw/zinc/67/52/09/394675209.db2.gz IYTLETADHIKUMZ-ZJUUUORDSA-N 0 3 295.745 2.334 20 30 CEEDHN CC(C)(C)N1CCCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000334396686 394682135 /nfs/dbraw/zinc/68/21/35/394682135.db2.gz KPBAHBRAYGSVRH-UHFFFAOYSA-N 0 3 280.416 2.052 20 30 CEEDHN COCC[C@H](C)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000268007816 394687910 /nfs/dbraw/zinc/68/79/10/394687910.db2.gz GDCDKTSAPFKNQH-HNNXBMFYSA-N 0 3 287.407 2.101 20 30 CEEDHN CC#CCNC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000359339515 394747964 /nfs/dbraw/zinc/74/79/64/394747964.db2.gz YRQXBKMZYBURAA-STQMWFEESA-N 0 3 277.368 2.031 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](C)CC1 ZINC000335004096 394725088 /nfs/dbraw/zinc/72/50/88/394725088.db2.gz SFPNFORGORWHNN-STQMWFEESA-N 0 3 263.385 2.059 20 30 CEEDHN COc1cccc([C@H](C)NCCC(=O)N(C)CCC#N)c1 ZINC000271701171 394761274 /nfs/dbraw/zinc/76/12/74/394761274.db2.gz SQFDGVJGJIQYJR-ZDUSSCGKSA-N 0 3 289.379 2.108 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(C#N)[nH]1 ZINC000271907597 394765671 /nfs/dbraw/zinc/76/56/71/394765671.db2.gz HVYTWOGARPNVBE-CYBMUJFWSA-N 0 3 296.374 2.137 20 30 CEEDHN COc1ccc(CN[C@@H](C)CCO)cc1OCCCC#N ZINC000119668461 394770184 /nfs/dbraw/zinc/77/01/84/394770184.db2.gz CZANKIULAJOCPP-ZDUSSCGKSA-N 0 3 292.379 2.238 20 30 CEEDHN C[C@@H](CNC(=O)CCCC#N)N1CCCC[C@H]1C ZINC000360015590 394784327 /nfs/dbraw/zinc/78/43/27/394784327.db2.gz JUNYEVGTSBIVLI-OLZOCXBDSA-N 0 3 251.374 2.059 20 30 CEEDHN CC(C)(C)CCN1CCN(C(=O)CCCC#N)CC1 ZINC000360022739 394784827 /nfs/dbraw/zinc/78/48/27/394784827.db2.gz HONCVYMCMQFTIO-UHFFFAOYSA-N 0 3 265.401 2.261 20 30 CEEDHN Cc1ccnc(N2CCC[C@H]3CN(C)CC[C@H]32)c1C#N ZINC000273409214 394787555 /nfs/dbraw/zinc/78/75/55/394787555.db2.gz XJSJIDCRSYQTSE-DZGCQCFKSA-N 0 3 270.380 2.182 20 30 CEEDHN Cc1csc(C(C#N)C(=O)Nc2cccnc2)n1 ZINC000121701836 394802656 /nfs/dbraw/zinc/80/26/56/394802656.db2.gz KGYSEGFKRPEDGK-SNVBAGLBSA-N 0 3 258.306 2.092 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000360682505 394805664 /nfs/dbraw/zinc/80/56/64/394805664.db2.gz UWWJSTIDGZAYGW-GDBMZVCRSA-N 0 3 277.412 2.261 20 30 CEEDHN CN1CCC2(CCCN2C(=O)CC(C)(C)C#N)CC1 ZINC000335887734 394807905 /nfs/dbraw/zinc/80/79/05/394807905.db2.gz YLSNQPUXNNADSE-UHFFFAOYSA-N 0 3 263.385 2.013 20 30 CEEDHN CN1CCC[C@]2(CCN(C(=O)C3(C#N)CCCC3)C2)C1 ZINC000335974823 394815453 /nfs/dbraw/zinc/81/54/53/394815453.db2.gz FLLVBJKZIQPYLI-HNNXBMFYSA-N 0 3 275.396 2.015 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(CCOC)[C@@H]1CC[C@@H](C)C1 ZINC000362159146 394846874 /nfs/dbraw/zinc/84/68/74/394846874.db2.gz UPZWJHUPCSTLBJ-HZPDHXFCSA-N 0 3 294.439 2.324 20 30 CEEDHN C=CCN1CCC(Nc2cccc(-n3cc(C)cn3)n2)CC1 ZINC000362214921 394849856 /nfs/dbraw/zinc/84/98/56/394849856.db2.gz AYYAKCLTVVLTCU-UHFFFAOYSA-N 0 3 297.406 2.060 20 30 CEEDHN CC#CCCCC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000362277738 394851486 /nfs/dbraw/zinc/85/14/86/394851486.db2.gz HKEAIKVGBULHFS-KRWDZBQOSA-N 0 3 286.419 2.469 20 30 CEEDHN Cc1c[nH]cc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000338319602 394914460 /nfs/dbraw/zinc/91/44/60/394914460.db2.gz BWZJEACFJNTDJG-LLVKDONJSA-N 0 3 254.293 2.220 20 30 CEEDHN C=C(CC)CN1[C@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000338380053 394918305 /nfs/dbraw/zinc/91/83/05/394918305.db2.gz SFTRMNSNUUTWMZ-ZOBORPQBSA-N 0 3 267.369 2.136 20 30 CEEDHN C#CCOc1ccc([C@H](C)NCC2([S@](C)=O)CC2)cc1 ZINC000282411570 394919147 /nfs/dbraw/zinc/91/91/47/394919147.db2.gz SEIRHMHERQXQAI-RBZFPXEDSA-N 0 3 291.416 2.260 20 30 CEEDHN C[C@H](C#N)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338758067 394928123 /nfs/dbraw/zinc/92/81/23/394928123.db2.gz SGYLDPPRTGKGDZ-ZWNOBZJWSA-N 0 3 279.771 2.219 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CCCN(C(C)C)CC1)OCC ZINC000339304491 394955757 /nfs/dbraw/zinc/95/57/57/394955757.db2.gz QGTYZXVTLPDCDI-HNNXBMFYSA-N 0 3 282.428 2.300 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000366174161 394939720 /nfs/dbraw/zinc/93/97/20/394939720.db2.gz WKTPOTHLXSWSGC-ZFWWWQNUSA-N 0 3 265.401 2.078 20 30 CEEDHN CC[C@@H](NCCOCCC#N)c1c(C)nn(C)c1C ZINC000339085652 394942325 /nfs/dbraw/zinc/94/23/25/394942325.db2.gz SLLUIZPAFBRBJT-CYBMUJFWSA-N 0 3 264.373 2.008 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000284596954 394946757 /nfs/dbraw/zinc/94/67/57/394946757.db2.gz ZXTYHTZFCLUBHN-DAXOMENPSA-N 0 3 288.391 2.079 20 30 CEEDHN CN(C)c1noc([C@@H]2CCCN([C@H]3CC[C@@H](C#N)C3)C2)n1 ZINC000339158592 394946831 /nfs/dbraw/zinc/94/68/31/394946831.db2.gz NDKYYXHTYPSMKG-UPJWGTAASA-N 0 3 289.383 2.007 20 30 CEEDHN C#CC[C@H](C)N[C@@H]1CCCc2c1cnn2-c1ncccn1 ZINC000366523325 394947205 /nfs/dbraw/zinc/94/72/05/394947205.db2.gz TVUGKMNNDBIISD-GXTWGEPZSA-N 0 3 281.363 2.041 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000284850647 394949981 /nfs/dbraw/zinc/94/99/81/394949981.db2.gz TZWKVLWTEDCFOD-MSOLQXFVSA-N 0 3 288.435 2.172 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000284850658 394950513 /nfs/dbraw/zinc/95/05/13/394950513.db2.gz TZWKVLWTEDCFOD-ZWKOTPCHSA-N 0 3 288.435 2.172 20 30 CEEDHN C=CCOCCN[C@@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000339195630 394950892 /nfs/dbraw/zinc/95/08/92/394950892.db2.gz VDDOSWANUKVGAS-INIZCTEOSA-N 0 3 295.354 2.396 20 30 CEEDHN CNCc1cccc(NC(=O)NCC(C)(C)C#N)c1 ZINC000415933449 394982471 /nfs/dbraw/zinc/98/24/71/394982471.db2.gz PIIXQMFPWSBPDG-UHFFFAOYSA-N 0 3 260.341 2.077 20 30 CEEDHN COC(=O)[C@H](C)[C@H](NCCCC#N)c1ccccc1 ZINC000152091954 394986981 /nfs/dbraw/zinc/98/69/81/394986981.db2.gz OKNCTQJMSYDDHI-OCCSQVGLSA-N 0 3 260.337 2.430 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000153175119 395001250 /nfs/dbraw/zinc/00/12/50/395001250.db2.gz GNMHHHFPJMBLGB-KFWWJZLASA-N 0 3 289.423 2.449 20 30 CEEDHN CC#CCCN1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000155687965 395029116 /nfs/dbraw/zinc/02/91/16/395029116.db2.gz SZXGBDUWDDTZPK-CQSZACIVSA-N 0 3 264.413 2.274 20 30 CEEDHN C=CCC[C@@H](N[C@H](CCO)COC)c1ccco1 ZINC000286093998 395012057 /nfs/dbraw/zinc/01/20/57/395012057.db2.gz MXKNAGNERJOYJK-CHWSQXEVSA-N 0 3 253.342 2.274 20 30 CEEDHN C=C[C@H](C)NC(=O)CCN1CCc2ccccc2C1 ZINC000416187133 395029434 /nfs/dbraw/zinc/02/94/34/395029434.db2.gz DIOOKCQLZKGSDJ-ZDUSSCGKSA-N 0 3 258.365 2.126 20 30 CEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@H](C)[C@H]1C ZINC000339581379 394964832 /nfs/dbraw/zinc/96/48/32/394964832.db2.gz KWYHICJORBIOKA-SQWLQELKSA-N 0 3 275.392 2.495 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000285818431 394968408 /nfs/dbraw/zinc/96/84/08/394968408.db2.gz NQAVPGATAFQHPO-WCQYABFASA-N 0 3 287.363 2.159 20 30 CEEDHN C=CCN(CCCNC(C)=O)Cc1ccc(OC)cc1 ZINC000142851932 394973300 /nfs/dbraw/zinc/97/33/00/394973300.db2.gz XNTQTBNOYDHXAH-UHFFFAOYSA-N 0 3 276.380 2.209 20 30 CEEDHN C#C[C@@H](NC(=O)NC1CCN(CC(=C)C)CC1)C(C)(C)C ZINC000288555098 395063144 /nfs/dbraw/zinc/06/31/44/395063144.db2.gz JCWMMTXIGORXSO-OAHLLOKOSA-N 0 3 291.439 2.374 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@H](n3cncn3)C2)cc1 ZINC000289350728 395075948 /nfs/dbraw/zinc/07/59/48/395075948.db2.gz MYXSZHVKWDAAFE-INIZCTEOSA-N 0 3 266.348 2.097 20 30 CEEDHN CC#CCCN1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC000374169380 395076320 /nfs/dbraw/zinc/07/63/20/395076320.db2.gz CDFAFCZTRUXREP-JKSUJKDBSA-N 0 3 271.360 2.288 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000374265608 395077668 /nfs/dbraw/zinc/07/76/68/395077668.db2.gz NUWCYTUGVYMDBN-YJBOKZPZSA-N 0 3 299.418 2.220 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000374278071 395078617 /nfs/dbraw/zinc/07/86/17/395078617.db2.gz DGWSKVPRNBAJBW-HZSPNIEDSA-N 0 3 265.401 2.077 20 30 CEEDHN C#C[C@H](C)N[C@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000289537517 395080073 /nfs/dbraw/zinc/08/00/73/395080073.db2.gz QGZRCKJCCTXLSD-NWDGAFQWSA-N 0 3 290.363 2.032 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 ZINC000346000487 395084719 /nfs/dbraw/zinc/08/47/19/395084719.db2.gz OQCLZIZRVOOEJV-HOTGVXAUSA-N 0 3 292.423 2.124 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NC1CCN(CC)CC1 ZINC000346014790 395085401 /nfs/dbraw/zinc/08/54/01/395085401.db2.gz LLCAFZHFHHANGJ-LBPRGKRZSA-N 0 3 253.390 2.125 20 30 CEEDHN CC(C#N)C(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000426992020 395088391 /nfs/dbraw/zinc/08/83/91/395088391.db2.gz PJCKNCLHXSOOBA-NWDGAFQWSA-N 0 3 278.377 2.415 20 30 CEEDHN C[C@@H](CN(C)C)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000346166677 395089479 /nfs/dbraw/zinc/08/94/79/395089479.db2.gz RZKAOCUCEQZNGF-LBPRGKRZSA-N 0 3 273.380 2.168 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000289911264 395090643 /nfs/dbraw/zinc/09/06/43/395090643.db2.gz XYJKYGZMCPXMMK-LJQANCHMSA-N 0 3 298.430 2.212 20 30 CEEDHN C=C[C@](C)(O)CC(=O)Nc1ccc(C)cc1CN(C)C ZINC000346304938 395094707 /nfs/dbraw/zinc/09/47/07/395094707.db2.gz NEXLLOGSHKHLCF-INIZCTEOSA-N 0 3 276.380 2.322 20 30 CEEDHN COc1cccc(F)c1[C@@H](C)NC(=O)C(C)C#N ZINC000346326171 395095210 /nfs/dbraw/zinc/09/52/10/395095210.db2.gz ITCIGVBCDNZGBJ-DTWKUNHWSA-N 0 3 250.273 2.171 20 30 CEEDHN C#Cc1ccccc1CC(=O)N(C)CC1CCN(C)CC1 ZINC000290208267 395095913 /nfs/dbraw/zinc/09/59/13/395095913.db2.gz IMYSVFAHBBSLLB-UHFFFAOYSA-N 0 3 284.403 2.011 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2nccs2)CC1 ZINC000171735988 395097134 /nfs/dbraw/zinc/09/71/34/395097134.db2.gz MFOQSYBBXFJZAA-NSHDSACASA-N 0 3 294.424 2.154 20 30 CEEDHN CN(C)[C@H](CC(=O)NCC(C)(C)C#N)c1ccccc1 ZINC000416207627 395032025 /nfs/dbraw/zinc/03/20/25/395032025.db2.gz WMFYXGKIPSFHHO-CQSZACIVSA-N 0 3 273.380 2.345 20 30 CEEDHN Cc1cc(C)c(C#N)c(N[C@@H]2CCCN(C)[C@@H]2C)n1 ZINC000343493178 395040231 /nfs/dbraw/zinc/04/02/31/395040231.db2.gz BJGBSFIYOQTNTE-TZMCWYRMSA-N 0 3 258.369 2.465 20 30 CEEDHN COC(=O)CCCN(Cc1ccccc1)C(=O)C(C)C#N ZINC000427572920 395122758 /nfs/dbraw/zinc/12/27/58/395122758.db2.gz IDVNGBPCXPNXBT-ZDUSSCGKSA-N 0 3 288.347 2.128 20 30 CEEDHN C=CCN(C)CCN(CC)CCOc1cccc(C#N)c1 ZINC000429710582 395158903 /nfs/dbraw/zinc/15/89/03/395158903.db2.gz XNNKECWUCLFAMM-UHFFFAOYSA-N 0 3 287.407 2.377 20 30 CEEDHN C=CCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000505727606 395167848 /nfs/dbraw/zinc/16/78/48/395167848.db2.gz ROVCCLBSEYNPSK-HIFRSBDPSA-N 0 3 275.396 2.471 20 30 CEEDHN CNC(=O)CCN(C)Cc1ccccc1C(C)(C)C#N ZINC000178526904 395168285 /nfs/dbraw/zinc/16/82/85/395168285.db2.gz NGOQXMNMNWEJGA-UHFFFAOYSA-N 0 3 273.380 2.056 20 30 CEEDHN C=CCOc1ccc(CN(CCO)C(C)C)cc1OC ZINC000350053612 395178958 /nfs/dbraw/zinc/17/89/58/395178958.db2.gz NNPMQFLMDBMWKS-UHFFFAOYSA-N 0 3 279.380 2.463 20 30 CEEDHN COc1cc([O-])c(C[NH2+]CCCCC#N)cc1OC ZINC000182195082 395237390 /nfs/dbraw/zinc/23/73/90/395237390.db2.gz IJXGPQMRMXFADL-UHFFFAOYSA-N 0 3 264.325 2.193 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C/c1c(F)cccc1F ZINC000293845939 395253774 /nfs/dbraw/zinc/25/37/74/395253774.db2.gz AAXMTKYIYFUSCB-CMDGGOBGSA-N 0 3 292.329 2.049 20 30 CEEDHN C#Cc1ccc(CN2CCC3(CC2)OCCCO3)cc1 ZINC000293596197 395242068 /nfs/dbraw/zinc/24/20/68/395242068.db2.gz IWFVZPKOCAZRPX-UHFFFAOYSA-N 0 3 271.360 2.397 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCCO[C@@H](C(C)C)C1 ZINC000293118718 395219571 /nfs/dbraw/zinc/21/95/71/395219571.db2.gz MCRWINDPKSGSSY-HZPDHXFCSA-N 0 3 294.439 2.322 20 30 CEEDHN C[C@@H](O)[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000183205293 395252874 /nfs/dbraw/zinc/25/28/74/395252874.db2.gz DBKKXOQRPOHBCR-OCCSQVGLSA-N 0 3 263.768 2.394 20 30 CEEDHN CC(C)[C@@H]1CCN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000353019034 395284271 /nfs/dbraw/zinc/28/42/71/395284271.db2.gz BCVWRPZCORDRCS-WBVHZDCISA-N 0 3 288.391 2.223 20 30 CEEDHN C=CCCCCNC(=O)N1CCN(C)CC[C@H]1C ZINC000353337400 395296125 /nfs/dbraw/zinc/29/61/25/395296125.db2.gz PXXPIUMQXOSHBI-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN CC[C@@H](C)[C@@](C)(O)CNCc1ccc(C#N)c(OC)c1 ZINC000440810765 395360751 /nfs/dbraw/zinc/36/07/51/395360751.db2.gz FFBUNXYJXHHXNI-WBMJQRKESA-N 0 3 276.380 2.454 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441292521 395384994 /nfs/dbraw/zinc/38/49/94/395384994.db2.gz ZHBXLNVBAWWORR-JKSUJKDBSA-N 0 3 294.439 2.160 20 30 CEEDHN C[C@@H]1CCC[C@@](C#N)(NC(=O)C2CCN(C3CC3)CC2)C1 ZINC000192785711 395392778 /nfs/dbraw/zinc/39/27/78/395392778.db2.gz STTITCZIJPHRBX-CXAGYDPISA-N 0 3 289.423 2.449 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)NCCN1CCCC[C@H]1CC ZINC000354378907 395330138 /nfs/dbraw/zinc/33/01/38/395330138.db2.gz DFEDQZJONCSYSD-LSDHHAIUSA-N 0 3 282.428 2.348 20 30 CEEDHN C=CCN(C)C[C@@H](O)COc1ccc(SC)cc1 ZINC000411566922 395331563 /nfs/dbraw/zinc/33/15/63/395331563.db2.gz JVFJQSQLEQOJDT-GFCCVEGCSA-N 0 3 267.394 2.266 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1cn(-c2ccccc2)nn1 ZINC000411641673 395333786 /nfs/dbraw/zinc/33/37/86/395333786.db2.gz LVRQGHGWTKSJAZ-UHFFFAOYSA-N 0 3 299.422 2.207 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1cccc(OCC)n1 ZINC000411638898 395334645 /nfs/dbraw/zinc/33/46/45/395334645.db2.gz IBKITMHQJKUNPW-UHFFFAOYSA-N 0 3 277.412 2.420 20 30 CEEDHN C[C@H](CCC#N)N1CCC(Oc2cnccn2)CC1 ZINC000411659595 395335917 /nfs/dbraw/zinc/33/59/17/395335917.db2.gz ZEEYSFXJONRMAZ-GFCCVEGCSA-N 0 3 260.341 2.012 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC(C)(C)C[C@@H]1C ZINC000412050574 395347855 /nfs/dbraw/zinc/34/78/55/395347855.db2.gz YUFHJTYFNPZOJS-STQMWFEESA-N 0 3 265.401 2.115 20 30 CEEDHN C=CCN(C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)C1CC1 ZINC000412232637 395352373 /nfs/dbraw/zinc/35/23/73/395352373.db2.gz SFBVORLDCUILTC-FRRDWIJNSA-N 0 3 250.386 2.425 20 30 CEEDHN CC(C)CN(CCN(C)C)C(=O)Cc1cccc(C#N)c1 ZINC000530674383 395456750 /nfs/dbraw/zinc/45/67/50/395456750.db2.gz BQKBYQKJAMSSGE-UHFFFAOYSA-N 0 3 287.407 2.147 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)Cc2cccc(C#N)c2)CCN1C ZINC000531152709 395458281 /nfs/dbraw/zinc/45/82/81/395458281.db2.gz UINMZZLPXOYLNL-CJNGLKHVSA-N 0 3 285.391 2.042 20 30 CEEDHN Cn1ccnc1[C@@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000534579645 395463167 /nfs/dbraw/zinc/46/31/67/395463167.db2.gz ZFAMXVLCTQMYAN-OAHLLOKOSA-N 0 3 296.374 2.160 20 30 CEEDHN CSCC[C@H](CO)NCc1ccc(C#N)c(C)c1 ZINC000443979562 395408389 /nfs/dbraw/zinc/40/83/89/395408389.db2.gz KTTBZQOZZFNRSA-CQSZACIVSA-N 0 3 264.394 2.070 20 30 CEEDHN Cc1cc(CN[C@@H](C)CO[C@@H]2CCOC2)ccc1C#N ZINC000443987765 395409454 /nfs/dbraw/zinc/40/94/54/395409454.db2.gz LCUWMYCUMPKYQY-XJKSGUPXSA-N 0 3 274.364 2.150 20 30 CEEDHN Cc1cc(CN[C@H](C)CC[S@](C)=O)ccc1C#N ZINC000443992953 395409473 /nfs/dbraw/zinc/40/94/73/395409473.db2.gz YUKSRTHJFLWOCZ-XIKOKIGWSA-N 0 3 264.394 2.113 20 30 CEEDHN C=CCCC1(C(=O)N2CCO[C@@H]3CCN(CC)C[C@H]32)CC1 ZINC000355335494 395414312 /nfs/dbraw/zinc/41/43/12/395414312.db2.gz CXMHBSJMYDRPBI-HUUCEWRRSA-N 0 3 292.423 2.054 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)NCC#Cc1ccccc1 ZINC000355407510 395437894 /nfs/dbraw/zinc/43/78/94/395437894.db2.gz HFJBHZQBFLSDBF-GJZGRUSLSA-N 0 3 270.376 2.027 20 30 CEEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cnccc1N ZINC000567895631 395540427 /nfs/dbraw/zinc/54/04/27/395540427.db2.gz SGBCLSIKINJBBY-LBPRGKRZSA-N 0 3 266.348 2.411 20 30 CEEDHN CN(C)C1(CNC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000568735577 395568573 /nfs/dbraw/zinc/56/85/73/395568573.db2.gz PZGFBVQPRNQHEI-UHFFFAOYSA-N 0 3 283.375 2.066 20 30 CEEDHN N#Cc1cccc(Cl)c1NC[C@@H]1CCCN1CCCO ZINC000450600298 395573153 /nfs/dbraw/zinc/57/31/53/395573153.db2.gz VKZIVZHUJXLWFM-ZDUSSCGKSA-N 0 3 293.798 2.470 20 30 CEEDHN CC[C@@H]1CN(CC)CCN1CCOc1ccccc1C#N ZINC000451734981 395624503 /nfs/dbraw/zinc/62/45/03/395624503.db2.gz XPZACQOKBCBDSV-MRXNPFEDSA-N 0 3 287.407 2.353 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NCc1nc(C#N)cs1 ZINC000574100023 395626652 /nfs/dbraw/zinc/62/66/52/395626652.db2.gz RUMYNGNCEIIEOA-GFCCVEGCSA-N 0 3 278.425 2.225 20 30 CEEDHN CON1CCC(N(C)Cc2ccc(C#N)cc2F)CC1 ZINC000453618799 395628413 /nfs/dbraw/zinc/62/84/13/395628413.db2.gz JQUZRNTXBVGDQH-UHFFFAOYSA-N 0 3 277.343 2.155 20 30 CEEDHN C[C@@H]1CCN(CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000574738355 395636159 /nfs/dbraw/zinc/63/61/59/395636159.db2.gz NVZCRXOLDSTTMW-XOKHGSTOSA-N 0 3 297.402 2.120 20 30 CEEDHN Cc1nc([C@@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)n[nH]1 ZINC000574778846 395637382 /nfs/dbraw/zinc/63/73/82/395637382.db2.gz ZTNAOAMCCPGJFC-GFCCVEGCSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1n[nH]c([C@@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)n1 ZINC000574778846 395637383 /nfs/dbraw/zinc/63/73/83/395637383.db2.gz ZTNAOAMCCPGJFC-GFCCVEGCSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1nnc([C@@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)[nH]1 ZINC000574778846 395637385 /nfs/dbraw/zinc/63/73/85/395637385.db2.gz ZTNAOAMCCPGJFC-GFCCVEGCSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1cc(CN2CCC[C@H](C)[C@H]2CO)ccc1C#N ZINC000488137203 395668094 /nfs/dbraw/zinc/66/80/94/395668094.db2.gz UCIHKZQSJBPGEI-BLLLJJGKSA-N 0 3 258.365 2.460 20 30 CEEDHN C[C@@H]1C[C@@H]1CN[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000488550578 395668410 /nfs/dbraw/zinc/66/84/10/395668410.db2.gz YPCFLJMKMFLQFI-XNRPHZJLSA-N 0 3 283.375 2.299 20 30 CEEDHN CC1=CCN(CCNC(=O)/C=C\c2cccc(C#N)c2)CC1 ZINC000492585685 395671146 /nfs/dbraw/zinc/67/11/46/395671146.db2.gz XUWRBAXACDDQLM-WAYWQWQTSA-N 0 3 295.386 2.340 20 30 CEEDHN C=CCCCCN1CCC[C@H]1C(=O)N1CCSCC1 ZINC000649281670 396112239 /nfs/dbraw/zinc/11/22/39/396112239.db2.gz KGTIQOQSQYBLFG-AWEZNQCLSA-N 0 3 282.453 2.383 20 30 CEEDHN CCCCO[C@@H]1C[C@@H](NCC#CCOC)C1(C)C ZINC000649580194 396197805 /nfs/dbraw/zinc/19/78/05/396197805.db2.gz BEFYCLHONPVTLE-ZIAGYGMSSA-N 0 3 253.386 2.210 20 30 CEEDHN COCC#CCN1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000646073822 396284614 /nfs/dbraw/zinc/28/46/14/396284614.db2.gz JPEHPFIBSOVHQM-QZTJIDSGSA-N 0 3 287.403 2.094 20 30 CEEDHN C=CC[C@H](CO)CNCc1cnn(-c2ccccc2C)c1 ZINC000647199354 396438400 /nfs/dbraw/zinc/43/84/00/396438400.db2.gz ZXTFORGSOGJZOP-HNNXBMFYSA-N 0 3 285.391 2.455 20 30 CEEDHN C=CCN(CCC(=O)NC(C)C)Cc1cccc(C#N)c1 ZINC000063300151 400241980 /nfs/dbraw/zinc/24/19/80/400241980.db2.gz PWGNZAJBWXSOJW-UHFFFAOYSA-N 0 3 285.391 2.461 20 30 CEEDHN Cc1cc(CN2CCC(Cn3cncn3)CC2)ccc1C#N ZINC000488982726 400586933 /nfs/dbraw/zinc/58/69/33/400586933.db2.gz QAVYZOSDDHVXGE-UHFFFAOYSA-N 0 3 295.390 2.370 20 30 CEEDHN C=CCNC(=O)CNC1(c2cccc(C)c2)CCC1 ZINC000646021279 400716656 /nfs/dbraw/zinc/71/66/56/400716656.db2.gz SKQADAGDNKTWJY-UHFFFAOYSA-N 0 3 258.365 2.266 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@]3(CC3(F)F)C2)CC1 ZINC000650852755 401192892 /nfs/dbraw/zinc/19/28/92/401192892.db2.gz PUOJJIHHTJUMIH-AWEZNQCLSA-N 0 3 299.365 2.078 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cnnn1-c1ccccc1 ZINC000651792722 401392578 /nfs/dbraw/zinc/39/25/78/401392578.db2.gz DAWUUKIKTIXXRW-RHSMWYFYSA-N 0 3 298.390 2.338 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN(CC2CC2)CC2CC2)cc1 ZINC000360325051 155272016 /nfs/dbraw/zinc/27/20/16/155272016.db2.gz MRJJVWYTOMELMJ-UHFFFAOYSA-N 0 3 297.402 2.296 20 30 CEEDHN CCN(Cc1cccc(C#N)c1F)CC(C)(C)O ZINC000219522910 153303137 /nfs/dbraw/zinc/30/31/37/153303137.db2.gz PLAKTBYTGNZUIH-UHFFFAOYSA-N 0 3 250.317 2.290 20 30 CEEDHN COc1ccc(CN[C@H]2CCO[C@@H]2C2CC2)cc1C#N ZINC000230316404 153391398 /nfs/dbraw/zinc/39/13/98/153391398.db2.gz GZLVZBZCEVCTHI-GOEBONIOSA-N 0 3 272.348 2.224 20 30 CEEDHN C[C@@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)c1cccc(C#N)c1 ZINC000348970463 154305170 /nfs/dbraw/zinc/30/51/70/154305170.db2.gz WOGYAEPOJATMEP-NEPJUHHUSA-N 0 3 292.404 2.175 20 30 CEEDHN Cc1nn(CCN(C)Cc2ccc(F)cc2)cc1C#N ZINC000359410276 155008074 /nfs/dbraw/zinc/00/80/74/155008074.db2.gz FGNUFGPISJOUSH-UHFFFAOYSA-N 0 3 272.327 2.334 20 30 CEEDHN COC(=O)[C@@]12CCC[C@@H]1CN(Cc1ccc(C#N)s1)C2 ZINC000374683761 157005712 /nfs/dbraw/zinc/00/57/12/157005712.db2.gz SLWMUJBDVKQFGI-IAQYHMDHSA-N 0 3 290.388 2.395 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)/C=C/c3cccc(C#N)c3)[C@H]2C1 ZINC000374896474 157026777 /nfs/dbraw/zinc/02/67/77/157026777.db2.gz OIYZTYVWVIRSFY-CSLAMCDYSA-N 0 3 295.386 2.124 20 30 CEEDHN CN1CCC[C@@]2(CCN(Cc3ccc(C#N)s3)C2)C1=O ZINC000375353812 157083583 /nfs/dbraw/zinc/08/35/83/157083583.db2.gz BRZQDCYMVWHPEZ-HNNXBMFYSA-N 0 3 289.404 2.064 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(C#N)cc1C ZINC000159905557 162319046 /nfs/dbraw/zinc/31/90/46/162319046.db2.gz PNMAZRKXTLXDAM-CQSZACIVSA-N 0 3 271.364 2.081 20 30 CEEDHN COc1ccc(CN[C@@H]2Cc3ccccc3[C@H]2O)cc1C#N ZINC000174400786 165102577 /nfs/dbraw/zinc/10/25/77/165102577.db2.gz UMHUQNJAJLJQNN-SJLPKXTDSA-N 0 3 294.354 2.315 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000178573094 165249401 /nfs/dbraw/zinc/24/94/01/165249401.db2.gz QIYCQWXGMLLGHH-AWEZNQCLSA-N 0 3 284.363 2.179 20 30 CEEDHN CN(C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCSC1 ZINC000037174819 173009847 /nfs/dbraw/zinc/00/98/47/173009847.db2.gz XMBZUTWSADQRHA-KGLIPLIRSA-N 0 3 262.378 2.029 20 30 CEEDHN C=CCOCCCNC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000660340902 414778290 /nfs/dbraw/zinc/77/82/90/414778290.db2.gz RJEGBNVQNIEOAF-HUUCEWRRSA-N 0 3 297.443 2.141 20 30 CEEDHN C=C(C)[C@@H](CO)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653903760 414784998 /nfs/dbraw/zinc/78/49/98/414784998.db2.gz ISWAMFWBFAQVNK-ZIAGYGMSSA-N 0 3 253.386 2.347 20 30 CEEDHN C=CCOCCCNC(=O)NCCN1CCCC[C@H]1CC ZINC000660658823 414921513 /nfs/dbraw/zinc/92/15/13/414921513.db2.gz KJYDXBDWSPELCL-OAHLLOKOSA-N 0 3 297.443 2.143 20 30 CEEDHN C=CC[C@@H](CO)NCc1cccc(OC2CC2)c1F ZINC000657434484 414935472 /nfs/dbraw/zinc/93/54/72/414935472.db2.gz FPUYZUDLBNCLLD-LBPRGKRZSA-N 0 3 265.328 2.394 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)NC2CCN(C)CC2)C1 ZINC000660822014 414989242 /nfs/dbraw/zinc/98/92/42/414989242.db2.gz NKTKHDICBMDGEV-CYBMUJFWSA-N 0 3 265.401 2.078 20 30 CEEDHN C=C(C)CN1CCC(Nc2nc3ccccn3n2)CC1 ZINC000663568597 414989439 /nfs/dbraw/zinc/98/94/39/414989439.db2.gz ZDKYGYOHQWOGHG-UHFFFAOYSA-N 0 3 271.368 2.182 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000660857269 415011133 /nfs/dbraw/zinc/01/11/33/415011133.db2.gz JLKCEPHLIANMQU-LJISPDSOSA-N 0 3 277.412 2.362 20 30 CEEDHN C=CCCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000663447923 414954670 /nfs/dbraw/zinc/95/46/70/414954670.db2.gz XXODGYWLDJGTRJ-OAHLLOKOSA-N 0 3 275.396 2.035 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657482021 414961565 /nfs/dbraw/zinc/96/15/65/414961565.db2.gz NYKIVPWRWAJQER-ZACQAIPSSA-N 0 3 289.375 2.287 20 30 CEEDHN C=CCCCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654549427 414968737 /nfs/dbraw/zinc/96/87/37/414968737.db2.gz OQLXMHSTMJFTQA-UONOGXRCSA-N 0 3 265.401 2.269 20 30 CEEDHN C=CCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000660958470 415052017 /nfs/dbraw/zinc/05/20/17/415052017.db2.gz ISHMIGFOWYLJFT-HUUCEWRRSA-N 0 3 273.380 2.307 20 30 CEEDHN C=CCN(C[C@@H](O)Cc1ccc(F)cc1)[C@H](C)COC ZINC000661239529 415150834 /nfs/dbraw/zinc/15/08/34/415150834.db2.gz HRVBMXFSWLPXGI-CJNGLKHVSA-N 0 3 281.371 2.252 20 30 CEEDHN C=CC[C@H]1CCCC[C@H]1NCC(=O)Nc1ccon1 ZINC000661119257 415103535 /nfs/dbraw/zinc/10/35/35/415103535.db2.gz QVYHPYTZNQFUHA-NWDGAFQWSA-N 0 3 263.341 2.338 20 30 CEEDHN CCN(CC)[C@@H](CNC(=O)[C@H](C)C#N)c1ccccc1 ZINC000044809440 175257743 /nfs/dbraw/zinc/25/77/43/175257743.db2.gz SWPJXHTVNRPUDQ-HIFRSBDPSA-N 0 3 273.380 2.345 20 30 CEEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)NCCCOCC)C1 ZINC000661378370 415233095 /nfs/dbraw/zinc/23/30/95/415233095.db2.gz DXDJSEKRJITDOS-LSDHHAIUSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCCC(C)(C)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000664310710 415272989 /nfs/dbraw/zinc/27/29/89/415272989.db2.gz SHUDVYWVTBFDNP-OAHLLOKOSA-N 0 3 299.484 2.468 20 30 CEEDHN C=CC[C@@H]1CCCN(CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000661381542 415230724 /nfs/dbraw/zinc/23/07/24/415230724.db2.gz MRKPSPQNIVDYLJ-ZIAGYGMSSA-N 0 3 271.426 2.099 20 30 CEEDHN C=CC[C@@H]1CCCN(CC(=O)N[C@@H](C)C(C)C)C1 ZINC000661377269 415230816 /nfs/dbraw/zinc/23/08/16/415230816.db2.gz MHPKDGAVTZQYET-UONOGXRCSA-N 0 3 252.402 2.435 20 30 CEEDHN C=C[C@@H](CC(=O)N[C@H](CN)C(F)(F)F)c1ccccc1 ZINC000655519471 415320969 /nfs/dbraw/zinc/32/09/69/415320969.db2.gz VEADXWUKAJKOIN-CMPLNLGQSA-N 0 3 286.297 2.352 20 30 CEEDHN C=CCCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000661572072 415332643 /nfs/dbraw/zinc/33/26/43/415332643.db2.gz FIBHJYYTRMCNLX-AWEZNQCLSA-N 0 3 261.369 2.165 20 30 CEEDHN CC(=O)c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000655610046 415362062 /nfs/dbraw/zinc/36/20/62/415362062.db2.gz FOUVWNQGAVOXLM-AWEZNQCLSA-N 0 3 273.336 2.239 20 30 CEEDHN C=C(C)CCNC(=O)N[C@@H](CC)CN1CCCC1 ZINC000655680175 415381711 /nfs/dbraw/zinc/38/17/11/415381711.db2.gz JBECBSIXGIEOTN-ZDUSSCGKSA-N 0 3 253.390 2.126 20 30 CEEDHN C=CCOCCCNC(=O)Nc1cc(C)cc(CN)c1 ZINC000659023370 415390788 /nfs/dbraw/zinc/39/07/88/415390788.db2.gz HUKUZGJKJAELBD-UHFFFAOYSA-N 0 3 277.368 2.168 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000664810257 415484159 /nfs/dbraw/zinc/48/41/59/415484159.db2.gz MVQDLBFZRXKIGR-STQMWFEESA-N 0 3 253.390 2.077 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCCn2ccnc21 ZINC000655764879 415444437 /nfs/dbraw/zinc/44/44/37/415444437.db2.gz UBUNQKOKKDQPME-MCIONIFRSA-N 0 3 261.369 2.289 20 30 CEEDHN C=CCCCCNC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000664699006 415455351 /nfs/dbraw/zinc/45/53/51/415455351.db2.gz QGBJOPZOAGQDGR-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@H]1CCN(CCC)C1 ZINC000661950472 415534256 /nfs/dbraw/zinc/53/42/56/415534256.db2.gz AJSZWEMCROQYSV-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc2n1CCOC2 ZINC000656401368 415691010 /nfs/dbraw/zinc/69/10/10/415691010.db2.gz DBVHGOPBQGEJGW-QWHCGFSZSA-N 0 3 276.384 2.033 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)CCN(C)C ZINC000665391969 415723344 /nfs/dbraw/zinc/72/33/44/415723344.db2.gz OFDRUBFYNKCBRP-ZIAGYGMSSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CC1CCN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000659917157 415782474 /nfs/dbraw/zinc/78/24/74/415782474.db2.gz RAGWNJCUFKBIJD-RRFJBIMHSA-N 0 3 262.397 2.332 20 30 CEEDHN C=CCOCCCN[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000656685033 415813197 /nfs/dbraw/zinc/81/31/97/415813197.db2.gz ILEOYRRKQGSGKM-INIZCTEOSA-N 0 3 288.391 2.189 20 30 CEEDHN C=CCOCCNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000662711090 415938576 /nfs/dbraw/zinc/93/85/76/415938576.db2.gz MGWPAHHYOGADFS-AWEZNQCLSA-N 0 3 276.380 2.031 20 30 CEEDHN C=CCNC(=O)CN1C[C@H](c2ccccc2C)C[C@H]1C ZINC000076387621 177013490 /nfs/dbraw/zinc/01/34/90/177013490.db2.gz MRPDFHHJTSYRAN-HUUCEWRRSA-N 0 3 272.392 2.475 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C)C2CCCCC2)CC1 ZINC000076503208 177030468 /nfs/dbraw/zinc/03/04/68/177030468.db2.gz NIEKCUUDWRLWHT-CQSZACIVSA-N 0 3 276.424 2.417 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C[C@H](C)O)C1CCCCC1 ZINC000078516043 177349203 /nfs/dbraw/zinc/34/92/03/177349203.db2.gz UBKRZGNQAYOPOG-HNNXBMFYSA-N 0 3 294.439 2.203 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1c1nc2ccccc2n1C ZINC000334587796 225021811 /nfs/dbraw/zinc/02/18/11/225021811.db2.gz IGZQIOAAJNKYNJ-RISCZKNCSA-N 0 3 282.347 2.396 20 30 CEEDHN Cn1nc2c(c1CN[C@@H]1CC[C@@H](C#N)C1)CCCC2 ZINC000334604898 225083705 /nfs/dbraw/zinc/08/37/05/225083705.db2.gz IVSUCUBCXFHFNZ-VXGBXAGGSA-N 0 3 258.369 2.081 20 30 CEEDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1cccc(CC#N)c1 ZINC000334726288 225292627 /nfs/dbraw/zinc/29/26/27/225292627.db2.gz REPQMRORCCFXLK-CYBMUJFWSA-N 0 3 286.379 2.311 20 30 CEEDHN CC(C#N)C(=O)N(Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000346123439 225704995 /nfs/dbraw/zinc/70/49/95/225704995.db2.gz SRWANOMWSMZRPN-AGIUHOORSA-N 0 3 290.388 2.173 20 30 CEEDHN CC(C#N)C(=O)NCCCCN(C)c1ccccc1 ZINC000347060539 226008110 /nfs/dbraw/zinc/00/81/10/226008110.db2.gz CYKCZURNLXSZRC-ZDUSSCGKSA-N 0 3 259.353 2.179 20 30 CEEDHN C[C@@H](C#N)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000347137701 226056880 /nfs/dbraw/zinc/05/68/80/226056880.db2.gz PWACMMYOSKMLDR-INIZCTEOSA-N 0 3 299.418 2.313 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000347449979 226159606 /nfs/dbraw/zinc/15/96/06/226159606.db2.gz NWFAEGXKEZCBGF-KFWWJZLASA-N 0 3 285.391 2.267 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCCC(C)(C)C2)CC1 ZINC000171870860 335083292 /nfs/dbraw/zinc/08/32/92/335083292.db2.gz IFFLXXCTLNBYQT-UHFFFAOYSA-N 0 3 279.428 2.468 20 30 CEEDHN C[C@@H]1C[C@@H]1[NH+]=C([O-])N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329271320 227396604 /nfs/dbraw/zinc/39/66/04/227396604.db2.gz JFRRNTDWRLTTIN-UTUOFQBUSA-N 0 3 290.411 2.407 20 30 CEEDHN Cc1nc(CC2CC2)oc1C(=O)NC1CCN(C)CC1 ZINC000330016983 228017279 /nfs/dbraw/zinc/01/72/79/228017279.db2.gz QKFILACKHIYUGC-UHFFFAOYSA-N 0 3 277.368 2.334 20 30 CEEDHN N#CC(C(=O)Nc1ccc(F)cc1F)c1ccncn1 ZINC000352327026 228220271 /nfs/dbraw/zinc/22/02/71/228220271.db2.gz SBMPHWAIPNQBLZ-VIFPVBQESA-N 0 3 274.230 2.001 20 30 CEEDHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1cc(C#N)ccn1 ZINC000436005844 419411110 /nfs/dbraw/zinc/41/11/10/419411110.db2.gz LYJCSLJQSXNDIN-ZUZCIYMTSA-N 0 3 295.298 2.120 20 30 CEEDHN C=CCCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000665942036 419484699 /nfs/dbraw/zinc/48/46/99/419484699.db2.gz BCKOWNAUHFAWGD-CQSZACIVSA-N 0 3 279.359 2.304 20 30 CEEDHN C#C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000187731511 260053493 /nfs/dbraw/zinc/05/34/93/260053493.db2.gz GGFJZUMVJJWAKO-ZMSDIMECSA-N 0 3 299.418 2.360 20 30 CEEDHN CC#CCN(C)C(=O)NCCCN(C)Cc1ccccc1 ZINC000297591297 260129470 /nfs/dbraw/zinc/12/94/70/260129470.db2.gz FFQVLAGSVHWGQL-UHFFFAOYSA-N 0 3 287.407 2.173 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)C1(C#N)CCCCC1 ZINC000334152351 260142447 /nfs/dbraw/zinc/14/24/47/260142447.db2.gz MHESSEZBVDWNPU-AWEZNQCLSA-N 0 3 277.412 2.261 20 30 CEEDHN Cc1ccccc1C[C@H](CO)NCc1ccc(C#N)o1 ZINC000188935789 260169844 /nfs/dbraw/zinc/16/98/44/260169844.db2.gz LUNICTYENPTMIG-CQSZACIVSA-N 0 3 270.332 2.153 20 30 CEEDHN C=CCNC(=O)[C@H](C)N(C)CCCc1ccc(OC)cc1 ZINC000299039083 260170825 /nfs/dbraw/zinc/17/08/25/260170825.db2.gz JFWHZDLPZVOODH-AWEZNQCLSA-N 0 3 290.407 2.250 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)N(CC)C[C@H](C)C#N ZINC000357530310 260228612 /nfs/dbraw/zinc/22/86/12/260228612.db2.gz PNEXRFXDXKJCHC-MGPQQGTHSA-N 0 3 265.401 2.257 20 30 CEEDHN C=CCOCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000354326568 260231831 /nfs/dbraw/zinc/23/18/31/260231831.db2.gz COODOOYVXSNEQP-ZDUSSCGKSA-N 0 3 294.420 2.204 20 30 CEEDHN CC#CCCN1CCC(C(=O)N2CCCCC2)CC1 ZINC000155069515 260757470 /nfs/dbraw/zinc/75/74/70/260757470.db2.gz WPRFQPFQQTUMQX-UHFFFAOYSA-N 0 3 262.397 2.124 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000427597590 260777365 /nfs/dbraw/zinc/77/73/65/260777365.db2.gz WEAGQUVFTAZGBD-BPLDGKMQSA-N 0 3 272.348 2.400 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)C2(C#N)CCC2)N(C)C)cc1 ZINC000134697252 260914628 /nfs/dbraw/zinc/91/46/28/260914628.db2.gz BORASHXFPBQJQO-HNNXBMFYSA-N 0 3 285.391 2.408 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)c1ccccc1OCC#N ZINC000156762505 261131420 /nfs/dbraw/zinc/13/14/20/261131420.db2.gz QGVDSOWIJJCSGK-UHFFFAOYSA-N 0 3 289.379 2.001 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CCC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000302745054 261354967 /nfs/dbraw/zinc/35/49/67/261354967.db2.gz FIGBNFXAISPBBV-JLJPHGGASA-N 0 3 289.423 2.449 20 30 CEEDHN CN(CCCCC(C)(C)C#N)C[C@H]1CCS(=O)(=O)C1 ZINC000336806101 262395688 /nfs/dbraw/zinc/39/56/88/262395688.db2.gz GITUDODYSUQWFK-CYBMUJFWSA-N 0 3 286.441 2.073 20 30 CEEDHN CC[C@@H](CO)N1CCN(CCCCC(C)(C)C#N)CC1 ZINC000336827563 262398017 /nfs/dbraw/zinc/39/80/17/262398017.db2.gz AUTFGFNSTKSIFK-HNNXBMFYSA-N 0 3 281.444 2.095 20 30 CEEDHN CC[C@@H](NCC(=O)N(CC)CCC#N)c1ccccc1 ZINC000271725878 262998657 /nfs/dbraw/zinc/99/86/57/262998657.db2.gz XNIUDPBQWHQVEU-OAHLLOKOSA-N 0 3 273.380 2.489 20 30 CEEDHN CC1(CO)CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000273841902 263019762 /nfs/dbraw/zinc/01/97/62/263019762.db2.gz JQZDAMAIJOROAZ-UHFFFAOYSA-N 0 3 274.364 2.183 20 30 CEEDHN C[C@@H](CCC#N)N(C)C[C@H](O)COCc1ccccc1 ZINC000276265961 263035454 /nfs/dbraw/zinc/03/54/54/263035454.db2.gz BWMBIIMZBZSDNB-HOCLYGCPSA-N 0 3 276.380 2.188 20 30 CEEDHN CC[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280132321 263059242 /nfs/dbraw/zinc/05/92/42/263059242.db2.gz QQKDRAIIUPBBDO-BBRMVZONSA-N 0 3 281.359 2.499 20 30 CEEDHN CC[C@H]1CN(CCCSCC#N)C[C@@]2(CCCOC2)O1 ZINC000369805869 263060884 /nfs/dbraw/zinc/06/08/84/263060884.db2.gz QIKUILZVULDPKY-LSDHHAIUSA-N 0 3 298.452 2.293 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCSC2)cc1 ZINC000280516029 263062587 /nfs/dbraw/zinc/06/25/87/263062587.db2.gz ROXOVDSRVLIPSS-HUUCEWRRSA-N 0 3 299.399 2.252 20 30 CEEDHN Cn1c(Cl)cnc1CNCC1CCC(C#N)CC1 ZINC000281781472 263071863 /nfs/dbraw/zinc/07/18/63/263071863.db2.gz TVXLMFIUJOFFDZ-UHFFFAOYSA-N 0 3 266.776 2.493 20 30 CEEDHN COC(=O)c1ccc(CNCC2CCC(C#N)CC2)o1 ZINC000282169375 263074885 /nfs/dbraw/zinc/07/48/85/263074885.db2.gz DYWGQXZLXQVMIP-UHFFFAOYSA-N 0 3 276.336 2.486 20 30 CEEDHN Cn1cc2c(n1)CCC[C@@H]2N[C@H]1CCC[C@@H](C#N)C1 ZINC000282582371 263077707 /nfs/dbraw/zinc/07/77/07/263077707.db2.gz ZSWLFGPXSQMWKS-DYEKYZERSA-N 0 3 258.369 2.469 20 30 CEEDHN C=CCC(C)(C)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000340189575 263086122 /nfs/dbraw/zinc/08/61/22/263086122.db2.gz RVPLQJHWOAHQPP-CYBMUJFWSA-N 0 3 250.386 2.284 20 30 CEEDHN COc1ccc(CN(C)[C@@H](C)CO)cc1OCCCC#N ZINC000289428203 263110090 /nfs/dbraw/zinc/11/00/90/263110090.db2.gz KGLASWYDNPSHIM-ZDUSSCGKSA-N 0 3 292.379 2.190 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)CCCC#N)CN1Cc1ccccc1 ZINC000291926705 263126624 /nfs/dbraw/zinc/12/66/24/263126624.db2.gz NXUSAZUKFSLDFC-GDBMZVCRSA-N 0 3 285.391 2.459 20 30 CEEDHN CC(C)(NCCOCCC#N)c1ccccc1[N+](=O)[O-] ZINC000293499835 263141818 /nfs/dbraw/zinc/14/18/18/263141818.db2.gz HEHYXHOSNIQBON-UHFFFAOYSA-N 0 3 277.324 2.350 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](c1ccccc1)C(C)C ZINC000294034281 263154664 /nfs/dbraw/zinc/15/46/64/263154664.db2.gz RSZGJEINTQNKKR-KRWDZBQOSA-N 0 3 286.419 2.498 20 30 CEEDHN C=CCN(CC[C@H]1CCOC1=O)Cc1cccc(C#N)c1 ZINC000120286328 263283121 /nfs/dbraw/zinc/28/31/21/263283121.db2.gz DRQHIRIDAIWBHF-INIZCTEOSA-N 0 3 284.359 2.499 20 30 CEEDHN Cn1cc(CCNC2CC(C#N)(c3ccccc3)C2)cn1 ZINC000148776452 263291144 /nfs/dbraw/zinc/29/11/44/263291144.db2.gz NSVIIYPCLFBUJH-UHFFFAOYSA-N 0 3 280.375 2.176 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000341191669 263329177 /nfs/dbraw/zinc/32/91/77/263329177.db2.gz FUHOWBNGMDSIRZ-STQMWFEESA-N 0 3 253.390 2.077 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CCN(C)CC[C@H]1C ZINC000341507947 263339930 /nfs/dbraw/zinc/33/99/30/263339930.db2.gz HOCBSPPOAHVHKB-OLZOCXBDSA-N 0 3 253.390 2.077 20 30 CEEDHN C=C(CC)CN[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000341505395 263340169 /nfs/dbraw/zinc/34/01/69/263340169.db2.gz JXPZXMCIJFAZFO-LBPRGKRZSA-N 0 3 282.409 2.212 20 30 CEEDHN C=CC[C@@H](CO)CN[C@H](C)c1cnc2cc(C)nn2c1C ZINC000341883454 263362327 /nfs/dbraw/zinc/36/23/27/263362327.db2.gz IUDNEZQIORSWJM-TZMCWYRMSA-N 0 3 288.395 2.181 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000342050717 263384021 /nfs/dbraw/zinc/38/40/21/263384021.db2.gz RBNRGKRJXFAZSI-KBPBESRZSA-N 0 3 252.402 2.389 20 30 CEEDHN CC[C@H](C)n1nc(NC(=O)NC2CCN(C)CC2)cc1C ZINC000330678122 264014929 /nfs/dbraw/zinc/01/49/29/264014929.db2.gz CDDVGHASSQSOMM-NSHDSACASA-N 0 3 293.415 2.005 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2cnn(C(C)C)c2)nc(C)n1 ZINC000330962702 264089561 /nfs/dbraw/zinc/08/95/61/264089561.db2.gz QDHGQBDKCKHZIB-ZDUSSCGKSA-N 0 3 283.335 2.361 20 30 CEEDHN C[C@H](CNC(=O)c1snnc1C(C)(C)C)N(C)C ZINC000331172346 264146533 /nfs/dbraw/zinc/14/65/33/264146533.db2.gz FWMHBQYFPCHESX-MRVPVSSYSA-N 0 3 270.402 2.090 20 30 CEEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)[C@@H](C)CO1 ZINC000331173461 264147401 /nfs/dbraw/zinc/14/74/01/264147401.db2.gz DNMCYNYRFMOSDU-SQWLQELKSA-N 0 3 286.375 2.395 20 30 CEEDHN C=CCNC(=O)CN[C@H](CCCOC)c1ccc(F)cc1 ZINC000282371606 264500716 /nfs/dbraw/zinc/50/07/16/264500716.db2.gz QHTPDBGMZIDXDS-OAHLLOKOSA-N 0 3 294.370 2.185 20 30 CEEDHN C#Cc1ccc(CNCCNC(=O)[C@@H](C)CCC)cc1 ZINC000294073698 265005282 /nfs/dbraw/zinc/00/52/82/265005282.db2.gz YNIYMJPYEHGTJG-AWEZNQCLSA-N 0 3 272.392 2.310 20 30 CEEDHN C#Cc1ccccc1CC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000294268835 265009269 /nfs/dbraw/zinc/00/92/69/265009269.db2.gz UEGGVZLZCUFUJT-LJQANCHMSA-N 0 3 296.414 2.155 20 30 CEEDHN C=C(C)CS(=O)(=O)N(CC)CCN1CCCCCC1 ZINC000344884909 265068370 /nfs/dbraw/zinc/06/83/70/265068370.db2.gz ACFGKWQXSDUZQF-UHFFFAOYSA-N 0 3 288.457 2.090 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114495371 266309428 /nfs/dbraw/zinc/30/94/28/266309428.db2.gz GGMZIOPWFMWEBV-HOCLYGCPSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCN(C(=O)N[C@@H](CC(C)C)CN(C)C)C1CC1 ZINC000357564221 266326715 /nfs/dbraw/zinc/32/67/15/266326715.db2.gz BLUHIEBKEWQUJD-ZDUSSCGKSA-N 0 3 267.417 2.323 20 30 CEEDHN CC[C@@H](C)N1CCN(c2cc(C)ncc2C#N)CC1 ZINC000399647023 266360075 /nfs/dbraw/zinc/36/00/75/266360075.db2.gz LSSSRBRVDOMUCX-CYBMUJFWSA-N 0 3 258.369 2.182 20 30 CEEDHN COc1ccc(OC)c([C@@H](C)NC(=O)C(C)C#N)c1 ZINC000357845694 266375624 /nfs/dbraw/zinc/37/56/24/266375624.db2.gz ZHJRVOJWQJINQJ-VHSXEESVSA-N 0 3 262.309 2.041 20 30 CEEDHN CCCCN(C)CCNC(=O)/C=C/c1ccc(C#N)cc1 ZINC000491828184 267004150 /nfs/dbraw/zinc/00/41/50/267004150.db2.gz NLBSIEIETGEHKB-MDZDMXLPSA-N 0 3 285.391 2.420 20 30 CEEDHN C=C[C@H](C)NC(=O)NCC(C)(C)N1CCCCC1 ZINC000362543366 267005142 /nfs/dbraw/zinc/00/51/42/267005142.db2.gz PZNYFGOFIWKLBL-LBPRGKRZSA-N 0 3 253.390 2.125 20 30 CEEDHN C[C@@H]1CN(CC(=O)Nc2cccc(C#N)c2)[C@@H](C)[C@H]1C ZINC000399689092 267047969 /nfs/dbraw/zinc/04/79/69/267047969.db2.gz UGWZTHHHZDHXTO-AGIUHOORSA-N 0 3 271.364 2.473 20 30 CEEDHN C#CC[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000367885125 267124970 /nfs/dbraw/zinc/12/49/70/267124970.db2.gz JZJAOSVPVSHNAT-YQQAZPJKSA-N 0 3 299.418 2.360 20 30 CEEDHN C=CCSCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000368053077 267143213 /nfs/dbraw/zinc/14/32/13/267143213.db2.gz BSHITGAMXPSUCK-CQSZACIVSA-N 0 3 288.432 2.234 20 30 CEEDHN CCO[C@@H]1CCN(Cc2cc(C#N)n(C)c2)C[C@@H]1C ZINC000449510938 267148217 /nfs/dbraw/zinc/14/82/17/267148217.db2.gz XUSWYJPLCZWQCH-SWLSCSKDSA-N 0 3 261.369 2.144 20 30 CEEDHN CC[C@@H](NCCNC(=O)C(C)C)c1ccc(C#N)cc1 ZINC000447517468 267194071 /nfs/dbraw/zinc/19/40/71/267194071.db2.gz KWFKIJQRGSBVFU-OAHLLOKOSA-N 0 3 273.380 2.371 20 30 CEEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)[C@@H](O)C(F)F ZINC000421379450 267221239 /nfs/dbraw/zinc/22/12/39/267221239.db2.gz IWUPGGIEGRDEPY-NWDGAFQWSA-N 0 3 272.270 2.192 20 30 CEEDHN CC[C@H](N[C@@H](CC)c1ccc(C#N)cc1)C(=O)NC ZINC000453396767 267223720 /nfs/dbraw/zinc/22/37/20/267223720.db2.gz HPLBOABFDWMJIZ-KBPBESRZSA-N 0 3 259.353 2.124 20 30 CEEDHN CCCCCCCN1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000369593575 267252608 /nfs/dbraw/zinc/25/26/08/267252608.db2.gz VTQQIESBVSOWAY-UHFFFAOYSA-N 0 3 278.400 2.275 20 30 CEEDHN CN(C)[C@@H]1CCCN(C(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000491577674 267288047 /nfs/dbraw/zinc/28/80/47/267288047.db2.gz YXOSKHFGJCBDFU-HLRDLLSLSA-N 0 3 283.375 2.124 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NCc1ccc2c(c1)CNC2 ZINC000418135223 267359314 /nfs/dbraw/zinc/35/93/14/267359314.db2.gz ADELTJPDLNAOOX-HNNXBMFYSA-N 0 3 273.380 2.444 20 30 CEEDHN COC(=O)CC1(NCc2ccc(C#N)c(C)c2)CCC1 ZINC000446819434 267360180 /nfs/dbraw/zinc/36/01/80/267360180.db2.gz XVGDGTKKBWACOS-UHFFFAOYSA-N 0 3 272.348 2.442 20 30 CEEDHN COC(=O)[C@H]1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000421376668 267388644 /nfs/dbraw/zinc/38/86/44/267388644.db2.gz FCYXAIWCKPUUAE-WCQYABFASA-N 0 3 276.311 2.129 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000448705023 267924355 /nfs/dbraw/zinc/92/43/55/267924355.db2.gz RGJIEJGZZKMWCK-NEPJUHHUSA-N 0 3 288.395 2.045 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000376651314 268006953 /nfs/dbraw/zinc/00/69/53/268006953.db2.gz KRMHPYYCEARRDP-QKPAOTATSA-N 0 3 292.423 2.053 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@@H]1CCCC[C@H]1O ZINC000305839359 268007296 /nfs/dbraw/zinc/00/72/96/268007296.db2.gz YKXOLSJFLNDZRF-HRCADAONSA-N 0 3 296.455 2.282 20 30 CEEDHN CC(C)(CCC#N)CNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000377035407 268042393 /nfs/dbraw/zinc/04/23/93/268042393.db2.gz YXHHHOXKGMUPOO-AWEZNQCLSA-N 0 3 292.427 2.196 20 30 CEEDHN CCCN1CCCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000377042244 268042455 /nfs/dbraw/zinc/04/24/55/268042455.db2.gz DENGDLWNEHSESN-UHFFFAOYSA-N 0 3 294.443 2.444 20 30 CEEDHN N#Cc1cc(C(=O)NC[C@@H]2CCN2C2CCCCC2)c[nH]1 ZINC000529720306 268177472 /nfs/dbraw/zinc/17/74/72/268177472.db2.gz SVPWGBPMBOSHQN-HNNXBMFYSA-N 0 3 286.379 2.023 20 30 CEEDHN N#Cc1cnn2cc(CNCC[C@@H]3CC=CCC3)cnc12 ZINC000529666256 268318575 /nfs/dbraw/zinc/31/85/75/268318575.db2.gz KGQSSCCGAQCNSW-CYBMUJFWSA-N 0 3 281.363 2.437 20 30 CEEDHN CO[C@H](CN(C)CCOCc1ccc(C#N)cc1)C1CC1 ZINC000425464220 271162504 /nfs/dbraw/zinc/16/25/04/271162504.db2.gz ZDLNYVUNOHKMQC-QGZVFWFLSA-N 0 3 288.391 2.432 20 30 CEEDHN CN(CCN(C)C1CC1)Cc1cccc(F)c1C#N ZINC000428435080 271264904 /nfs/dbraw/zinc/26/49/04/271264904.db2.gz NBBSBQFNJRKCPI-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN CN(C)C[C@@H]1CCCN1c1nc(Cl)c(C#N)s1 ZINC000278809491 273798417 /nfs/dbraw/zinc/79/84/17/273798417.db2.gz ZIPJWKNRMJTWQC-QMMMGPOBSA-N 0 3 270.789 2.199 20 30 CEEDHN Cc1ccc(C#N)c(N2CC[C@H](N3CCCCC3)C2)n1 ZINC000110259070 274736110 /nfs/dbraw/zinc/73/61/10/274736110.db2.gz AFALWZFNZDCOSY-HNNXBMFYSA-N 0 3 270.380 2.326 20 30 CEEDHN Fc1ccc(C#CCN2CCN(C3CCC3)CC2)cc1 ZINC000269531058 274910693 /nfs/dbraw/zinc/91/06/93/274910693.db2.gz QQDORYNKDRBCGL-UHFFFAOYSA-N 0 3 272.367 2.347 20 30 CEEDHN N#Cc1cc2c(nc1NC1CCN(C3CC3)CC1)CCC2 ZINC000298725119 274921612 /nfs/dbraw/zinc/92/16/12/274921612.db2.gz PVDNLSXFIOZHGW-UHFFFAOYSA-N 0 3 282.391 2.481 20 30 CEEDHN C#CCCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000266702441 275379673 /nfs/dbraw/zinc/37/96/73/275379673.db2.gz HAQVSGTXIBYCPM-INIZCTEOSA-N 0 3 299.418 2.316 20 30 CEEDHN C#CCNC(=O)CCNC(C)(C)c1cccc(Cl)c1F ZINC000294622228 275383152 /nfs/dbraw/zinc/38/31/52/275383152.db2.gz OWEYOQCAKIDDKR-UHFFFAOYSA-N 0 3 296.773 2.443 20 30 CEEDHN CCN1CC[C@@H]2OCCN(Cc3ccc(C#N)c(C)c3)[C@H]2C1 ZINC000339391917 276220574 /nfs/dbraw/zinc/22/05/74/276220574.db2.gz KQWWCLAAWHPGNI-ROUUACIJSA-N 0 3 299.418 2.162 20 30 CEEDHN CCN(C)C(=O)[C@@H](NCc1ccc(C#N)cc1)C(C)C ZINC000295087549 276304093 /nfs/dbraw/zinc/30/40/93/276304093.db2.gz RCRVWDBPAIOAMA-HNNXBMFYSA-N 0 3 273.380 2.151 20 30 CEEDHN CCOC1(C)CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000298323513 276308062 /nfs/dbraw/zinc/30/80/62/276308062.db2.gz QYSOFJIDOXYLKW-MRXNPFEDSA-N 0 3 288.391 2.483 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000333382718 276366143 /nfs/dbraw/zinc/36/61/43/276366143.db2.gz BJEQKBHVHOGBGN-WMLDXEAASA-N 0 3 289.423 2.451 20 30 CEEDHN CN1CC=C(CNC(=O)c2snnc2C(C)(C)C)CC1 ZINC000330331381 277023010 /nfs/dbraw/zinc/02/30/10/277023010.db2.gz XLLMRQYSOXNEDO-UHFFFAOYSA-N 0 3 294.424 2.402 20 30 CEEDHN CN1CCC2(CCCN2C(=O)c2ccc(C#N)cc2)CC1 ZINC000334265049 277037787 /nfs/dbraw/zinc/03/77/87/277037787.db2.gz XXEMBFUFVXOHHY-UHFFFAOYSA-N 0 3 283.375 2.259 20 30 CEEDHN CC(=O)N1CC[C@H](NCCCC#N)c2ccccc2C1 ZINC000346806629 278055564 /nfs/dbraw/zinc/05/55/64/278055564.db2.gz BWWFQJQOVOYZEZ-INIZCTEOSA-N 0 3 271.364 2.373 20 30 CEEDHN CCN(CCN1CCOCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000264746417 279189049 /nfs/dbraw/zinc/18/90/49/279189049.db2.gz VJRVWOXXXSZQLW-HNNXBMFYSA-N 0 3 287.407 2.273 20 30 CEEDHN N#Cc1ccc([C@H](NC2CCCCC2)C(N)=O)cc1 ZINC000037969727 279527356 /nfs/dbraw/zinc/52/73/56/279527356.db2.gz LTNAFEXRFFFRJX-AWEZNQCLSA-N 0 3 257.337 2.007 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346247827 288384153 /nfs/dbraw/zinc/38/41/53/288384153.db2.gz WNUTXDMFIVWCLX-DSJMHWKBSA-N 0 3 277.412 2.115 20 30 CEEDHN CCCCN(C)CCNC(=O)c1c(F)cc(C#N)cc1F ZINC000154402770 289144396 /nfs/dbraw/zinc/14/43/96/289144396.db2.gz XUBOCFDFQVGHOD-UHFFFAOYSA-N 0 3 295.333 2.298 20 30 CEEDHN CN1CCC[C@]2(CCN(C(=O)NCC(C)(C)CC#N)C2)C1 ZINC000335588248 290000967 /nfs/dbraw/zinc/00/09/67/290000967.db2.gz BBEDHCZIKZYMOA-INIZCTEOSA-N 0 3 292.427 2.054 20 30 CEEDHN O=C(N[C@H]1CNC(=O)C1)[C@@H]1CCCN1C1CCCC1 ZINC000329665865 295388087 /nfs/dbraw/zinc/38/80/87/295388087.db2.gz KQHNOWPLPCQLIU-PWSUYJOCSA-N 0 3 265.357 2.079 20 30 CEEDHN CN1CCC[C@H](CNC(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000538682416 298232666 /nfs/dbraw/zinc/23/26/66/298232666.db2.gz LZZRQJOQAJYVNE-LLVKDONJSA-N 0 3 291.782 2.283 20 30 CEEDHN C[C@@H](NCCOC[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000539495038 298248905 /nfs/dbraw/zinc/24/89/05/298248905.db2.gz BUQLTNFXKGSQPO-CZUORRHYSA-N 0 3 274.364 2.404 20 30 CEEDHN CN(C)[C@@H](CNc1ccncc1C#N)c1ccccc1 ZINC000546653512 298355119 /nfs/dbraw/zinc/35/51/19/298355119.db2.gz IWXWSROWVWQKBY-INIZCTEOSA-N 0 3 266.348 2.090 20 30 CEEDHN CC[C@@H](C)CN1CCN(c2cnccc2C#N)CC1 ZINC000566833030 299025396 /nfs/dbraw/zinc/02/53/96/299025396.db2.gz GHHIUABLLUODJH-CYBMUJFWSA-N 0 3 258.369 2.121 20 30 CEEDHN C=C(Br)CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000228195687 639625042 /nfs/dbraw/zinc/62/50/42/639625042.db2.gz HCULAGWZKCBGFB-OPRDCNLKSA-N 0 3 260.175 2.298 20 30 CEEDHN CCO[C@@H]1C[C@H]1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000577175778 314348808 /nfs/dbraw/zinc/34/88/08/314348808.db2.gz IDIRAEAQDUNOJG-HZPDHXFCSA-N 0 3 296.374 2.226 20 30 CEEDHN CC1CC(C#N)(C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000531559282 328017775 /nfs/dbraw/zinc/01/77/75/328017775.db2.gz WCYPCHVUADCSOJ-UHFFFAOYSA-N 0 3 277.412 2.259 20 30 CEEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C)CS(C)(=O)=O ZINC000414306153 328154199 /nfs/dbraw/zinc/15/41/99/328154199.db2.gz QSKGJIYFKGPEMR-UKRRQHHQSA-N 0 3 281.421 2.197 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)NCCCC#N)N(C)C)cc1 ZINC000273022148 328202974 /nfs/dbraw/zinc/20/29/74/328202974.db2.gz CCAQVKGOBLHLTF-HNNXBMFYSA-N 0 3 288.395 2.201 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(-n3cncn3)c2)C1 ZINC000274240746 328210192 /nfs/dbraw/zinc/21/01/92/328210192.db2.gz VWXJOMMXAPVPMZ-HIFRSBDPSA-N 0 3 281.363 2.439 20 30 CEEDHN CC#CCNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418356204 329251750 /nfs/dbraw/zinc/25/17/50/329251750.db2.gz PRRUISWRSCPHQZ-OAHLLOKOSA-N 0 3 273.380 2.132 20 30 CEEDHN CCC1(C)CN(C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000291765654 328266376 /nfs/dbraw/zinc/26/63/76/328266376.db2.gz DLXDUHUSLBISOR-OAHLLOKOSA-N 0 3 288.391 2.224 20 30 CEEDHN C[S@](=O)C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000294526215 328281485 /nfs/dbraw/zinc/28/14/85/328281485.db2.gz JLOGUHDDWBUUMG-MOMAJJCNSA-N 0 3 276.405 2.388 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCCC23CCOCC3)nc1 ZINC000580725959 322339614 /nfs/dbraw/zinc/33/96/14/322339614.db2.gz WEYKVVQDENPMLW-HNNXBMFYSA-N 0 3 271.364 2.392 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNc1ncccc1C#N ZINC000580991666 322360146 /nfs/dbraw/zinc/36/01/46/322360146.db2.gz RPACFLVKOKSILG-ZDUSSCGKSA-N 0 3 258.369 2.486 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](C)Cc2ccsc2)CC1 ZINC000049377121 328356590 /nfs/dbraw/zinc/35/65/90/328356590.db2.gz JNAIMCIHNPRZGR-ZDUSSCGKSA-N 0 3 290.432 2.141 20 30 CEEDHN C=C[C@@H](CC(=O)NCCOCCN(C)C)c1ccccc1 ZINC000345964564 328569255 /nfs/dbraw/zinc/56/92/55/328569255.db2.gz RYPUZBSOEOAZQR-HNNXBMFYSA-N 0 3 290.407 2.041 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](SC)C1 ZINC000451323593 331024451 /nfs/dbraw/zinc/02/44/51/331024451.db2.gz VMJDHVLHWCHTRZ-OLZOCXBDSA-N 0 3 270.442 2.237 20 30 CEEDHN CC[C@H]1CN(C)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000557919397 327035172 /nfs/dbraw/zinc/03/51/72/327035172.db2.gz FENJEMJJKYNCPG-IRXDYDNUSA-N 0 3 299.418 2.312 20 30 CEEDHN CN(C)Cc1c2ccccc2oc1C(=O)N(C)CCC#N ZINC000074228630 327119526 /nfs/dbraw/zinc/11/95/26/327119526.db2.gz LTYKUKFXFPTNBF-UHFFFAOYSA-N 0 3 285.347 2.480 20 30 CEEDHN C=C(C)COCCNC[C@H](O)COc1cc(C)cc(C)c1 ZINC000163790823 327198649 /nfs/dbraw/zinc/19/86/49/327198649.db2.gz CGGBGQSSDNFVCF-INIZCTEOSA-N 0 3 293.407 2.225 20 30 CEEDHN C#CCOc1ccccc1CNCCN1CCCCC1 ZINC000047888558 327277428 /nfs/dbraw/zinc/27/74/28/327277428.db2.gz GWCQFZVVYYKFQA-UHFFFAOYSA-N 0 3 272.392 2.274 20 30 CEEDHN N#CC1(NC(=O)CN2CCC[C@@H]2C2CC2)CCCCC1 ZINC000377534926 329018037 /nfs/dbraw/zinc/01/80/37/329018037.db2.gz ZIPTZTIMHMYWII-CQSZACIVSA-N 0 3 275.396 2.203 20 30 CEEDHN C=CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000377690765 329024978 /nfs/dbraw/zinc/02/49/78/329024978.db2.gz ABEBEAPZLAIHEQ-LSDHHAIUSA-N 0 3 273.380 2.089 20 30 CEEDHN C#CCCN1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000378410020 329049527 /nfs/dbraw/zinc/04/95/27/329049527.db2.gz FQIGHKOOGQDURN-HNNXBMFYSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CC[C@@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000378443974 329050401 /nfs/dbraw/zinc/05/04/01/329050401.db2.gz LBWWQXRXJYBYNS-FGTMMUONSA-N 0 3 284.403 2.204 20 30 CEEDHN C=CCNC(=O)CN[C@H](c1ccccc1)C1CCOCC1 ZINC000378467604 329051923 /nfs/dbraw/zinc/05/19/23/329051923.db2.gz UQELHZKRJZQHCH-QGZVFWFLSA-N 0 3 288.391 2.046 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC(Cc2cccnc2)CC1 ZINC000360060645 329070996 /nfs/dbraw/zinc/07/09/96/329070996.db2.gz QSRDEXVXKYZLOO-AWEZNQCLSA-N 0 3 287.407 2.027 20 30 CEEDHN C[C@@H](CNC(=O)NCCCCC#N)N1CCC(C)CC1 ZINC000171434046 329075955 /nfs/dbraw/zinc/07/59/55/329075955.db2.gz HIEOTUKWOXZDRC-AWEZNQCLSA-N 0 3 280.416 2.100 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@@H](C)CC)CC1 ZINC000171724628 329079197 /nfs/dbraw/zinc/07/91/97/329079197.db2.gz BGNLXONMQUODAI-STQMWFEESA-N 0 3 267.417 2.371 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)C2(C#N)CCCCC2)CN1C1CC1 ZINC000177212841 329182078 /nfs/dbraw/zinc/18/20/78/329182078.db2.gz ICIKFMDZESBAHO-QWHCGFSZSA-N 0 3 275.396 2.202 20 30 CEEDHN CC#CCN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177594652 329187828 /nfs/dbraw/zinc/18/78/28/329187828.db2.gz LBTWLWKWWLZDSL-HNNXBMFYSA-N 0 3 251.370 2.060 20 30 CEEDHN CC[C@H](C)CN(CC)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000177860464 329193450 /nfs/dbraw/zinc/19/34/50/329193450.db2.gz DIJUFJXZIWKOBT-WFASDCNBSA-N 0 3 265.401 2.163 20 30 CEEDHN C=C(C)CN(C)C[C@@H](O)COc1ccccc1F ZINC000181247272 329227849 /nfs/dbraw/zinc/22/78/49/329227849.db2.gz ICUFFZGAINZOJE-GFCCVEGCSA-N 0 3 253.317 2.073 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000181419353 329236631 /nfs/dbraw/zinc/23/66/31/329236631.db2.gz FLSOIRUILIFZLJ-AWEZNQCLSA-N 0 3 267.417 2.324 20 30 CEEDHN CC[C@H](CC#N)NC1CCN(C(=O)C(C)(C)C)CC1 ZINC000184084164 329255837 /nfs/dbraw/zinc/25/58/37/329255837.db2.gz DGYSUEBTLIPRSV-GFCCVEGCSA-N 0 3 265.401 2.305 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000184274189 329258517 /nfs/dbraw/zinc/25/85/17/329258517.db2.gz WJGREFQMHNBBGQ-NVXWUHKLSA-N 0 3 291.391 2.271 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC000186239854 329340047 /nfs/dbraw/zinc/34/00/47/329340047.db2.gz CDEGBTVHVLMFPK-ZBFHGGJFSA-N 0 3 264.413 2.435 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CCSC2)CC1 ZINC000124365409 329569547 /nfs/dbraw/zinc/56/95/47/329569547.db2.gz DFQOHHCQQWZDEX-AWEZNQCLSA-N 0 3 297.468 2.174 20 30 CEEDHN C=CCOc1ccc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc1 ZINC000262837860 330034913 /nfs/dbraw/zinc/03/49/13/330034913.db2.gz WODSBTOWTYUJDX-OLZOCXBDSA-N 0 3 274.364 2.074 20 30 CEEDHN N#CC1(CNC(=N)Nc2cc(F)ccc2F)CCC1 ZINC000263202445 330049022 /nfs/dbraw/zinc/04/90/22/330049022.db2.gz XNWWDGPIWYPJHU-UHFFFAOYSA-N 0 3 264.279 2.385 20 30 CEEDHN C=C(C)C[NH+]1CCC([N-]C(=O)C(F)(F)C(F)F)CC1 ZINC000267242410 330064716 /nfs/dbraw/zinc/06/47/16/330064716.db2.gz IYXCQMPNLWQALZ-UHFFFAOYSA-N 0 3 282.281 2.044 20 30 CEEDHN C=CCOCCN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000272558977 330086942 /nfs/dbraw/zinc/08/69/42/330086942.db2.gz NKIACDKWPHJSIC-ZDUSSCGKSA-N 0 3 290.363 2.496 20 30 CEEDHN CC(C#N)C(=O)N1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000421927618 330109746 /nfs/dbraw/zinc/10/97/46/330109746.db2.gz SAPDQJXKFYTDON-IJLUTSLNSA-N 0 3 280.368 2.115 20 30 CEEDHN C=C(CNC(=O)N(C)C[C@@H]1CCCN1C)c1ccccc1 ZINC000422204341 330134589 /nfs/dbraw/zinc/13/45/89/330134589.db2.gz NTFOZVARPFLQFF-INIZCTEOSA-N 0 3 287.407 2.435 20 30 CEEDHN C[C@H](C[C@@H]1COCCN1)N[C@H](CCC#N)c1ccccc1 ZINC000422994472 330163216 /nfs/dbraw/zinc/16/32/16/330163216.db2.gz HUGTWPZWBDYCJJ-DJIMGWMZSA-N 0 3 287.407 2.388 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1cccs1)C1CC1 ZINC000424059792 330218800 /nfs/dbraw/zinc/21/88/00/330218800.db2.gz BVAUEVVJGNZBJT-DGCLKSJQSA-N 0 3 277.393 2.337 20 30 CEEDHN CN(C(=O)[C@H](N)CCCC#N)[C@@H]1CCc2ccccc21 ZINC000424070730 330219896 /nfs/dbraw/zinc/21/98/96/330219896.db2.gz STFASWWKVXSLHV-HUUCEWRRSA-N 0 3 271.364 2.153 20 30 CEEDHN CN(Cc1c(F)cccc1Cl)C(=O)[C@@H](N)CCCC#N ZINC000424074342 330220425 /nfs/dbraw/zinc/22/04/25/330220425.db2.gz HAOTVNFUAXNSNR-ZDUSSCGKSA-N 0 3 297.761 2.459 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000424079213 330221563 /nfs/dbraw/zinc/22/15/63/330221563.db2.gz GDMNISSUCFWDTJ-LBPRGKRZSA-N 0 3 283.734 2.116 20 30 CEEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000424081884 330223624 /nfs/dbraw/zinc/22/36/24/330223624.db2.gz KWHXVEQBQJAEAY-DGCLKSJQSA-N 0 3 251.374 2.093 20 30 CEEDHN CCOc1cccc([C@H](C)NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424096189 330227167 /nfs/dbraw/zinc/22/71/67/330227167.db2.gz BMQQSAIIOUQTCN-WFASDCNBSA-N 0 3 289.379 2.284 20 30 CEEDHN Cc1cc(C)cc(N(C)C(=O)[C@@H](N)CCCC#N)c1 ZINC000424096319 330227230 /nfs/dbraw/zinc/22/72/30/330227230.db2.gz BYMXOIRXFXWYAP-AWEZNQCLSA-N 0 3 259.353 2.287 20 30 CEEDHN C[C@H](C[S@](C)=O)N(C)CCCCC(C)(C)C#N ZINC000399951865 330249107 /nfs/dbraw/zinc/24/91/07/330249107.db2.gz IKCHHSJFOXSEIY-PXAZEXFGSA-N 0 3 258.431 2.405 20 30 CEEDHN CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@H](N)CCCC#N)C1 ZINC000424119677 330247460 /nfs/dbraw/zinc/24/74/60/330247460.db2.gz CYJLCBYSSDYLPT-MGPQQGTHSA-N 0 3 265.401 2.339 20 30 CEEDHN CC(C)[C@H]1CCCCN1C(=O)[C@H](N)CCCC#N ZINC000424131715 330264107 /nfs/dbraw/zinc/26/41/07/330264107.db2.gz VJKACIAMSZYGIE-CHWSQXEVSA-N 0 3 251.374 2.045 20 30 CEEDHN Cc1ccc(C[C@@H](C)NC(=O)[C@H](N)CCCC#N)c(C)c1 ZINC000424147918 330294571 /nfs/dbraw/zinc/29/45/71/330294571.db2.gz YVMFULRCOIHWOD-GDBMZVCRSA-N 0 3 287.407 2.372 20 30 CEEDHN CC[C@@H](NC(=O)[C@H](N)CCCC#N)c1nc2ccccc2[nH]1 ZINC000424159019 330305794 /nfs/dbraw/zinc/30/57/94/330305794.db2.gz SAEIWSHJARUJRG-VXGBXAGGSA-N 0 3 299.378 2.151 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCc2cc(Cl)ccc2C1 ZINC000424181314 330319188 /nfs/dbraw/zinc/31/91/88/330319188.db2.gz QSSJIMPHYFMXEI-AWEZNQCLSA-N 0 3 291.782 2.246 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000424181668 330319758 /nfs/dbraw/zinc/31/97/58/330319758.db2.gz RRRYABTXGGVECC-LBPRGKRZSA-N 0 3 283.335 2.036 20 30 CEEDHN CC(C#N)C(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000548642205 330322346 /nfs/dbraw/zinc/32/23/46/330322346.db2.gz AEQCFFSTNCSVDL-TVQRCGJNSA-N 0 3 280.274 2.024 20 30 CEEDHN Cc1ccccc1C[C@@H](C)N(C)C(=O)[C@H](N)CCCC#N ZINC000424190214 330322901 /nfs/dbraw/zinc/32/29/01/330322901.db2.gz PBTFCIOEZJIEQZ-GDBMZVCRSA-N 0 3 287.407 2.406 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC(=O)[C@H](N)CC2CCCCC2)C1 ZINC000424214693 330328890 /nfs/dbraw/zinc/32/88/90/330328890.db2.gz CXLVTAUSZCHFGB-BFHYXJOUSA-N 0 3 263.385 2.093 20 30 CEEDHN CNCc1ccccc1NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424415981 330350730 /nfs/dbraw/zinc/35/07/30/330350730.db2.gz KQNXMYVOUFYCQT-WCQYABFASA-N 0 3 272.352 2.220 20 30 CEEDHN C=CCC1(C(=O)NCCN2CCC[C@@H](C)C2)CCOCC1 ZINC000424586945 330390774 /nfs/dbraw/zinc/39/07/74/330390774.db2.gz GJXIFTOJOKATKS-OAHLLOKOSA-N 0 3 294.439 2.207 20 30 CEEDHN C=CCCCNC(=O)N[C@H](C)CN1CCCCC1 ZINC000447955507 330881248 /nfs/dbraw/zinc/88/12/48/330881248.db2.gz PLCSUMKUYIHFQO-CYBMUJFWSA-N 0 3 253.390 2.126 20 30 CEEDHN C=CCN1CCC(NC(=O)C(C)(C)C(C)(F)F)CC1 ZINC000448921797 330888430 /nfs/dbraw/zinc/88/84/30/330888430.db2.gz OMNXGUHUZAEUNZ-UHFFFAOYSA-N 0 3 274.355 2.434 20 30 CEEDHN C=CCCCC[C@@H](C)N[C@@H](CO)c1cnn(C)c1 ZINC000449207524 330906192 /nfs/dbraw/zinc/90/61/92/330906192.db2.gz OKFSGNCARLMKFC-OCCSQVGLSA-N 0 3 251.374 2.178 20 30 CEEDHN CCC(CC)(CNCC1(C#N)CCC1)C(=O)OC ZINC000450613097 330989266 /nfs/dbraw/zinc/98/92/66/330989266.db2.gz MCQDQOIEJUCVBN-UHFFFAOYSA-N 0 3 252.358 2.249 20 30 CEEDHN COC(=O)[C@H]1CCN(CC2(C#N)CCC2)[C@H]1C(C)C ZINC000451054973 331013787 /nfs/dbraw/zinc/01/37/87/331013787.db2.gz MKZBGYMTXKIKOM-STQMWFEESA-N 0 3 264.369 2.200 20 30 CEEDHN CC1(C)[C@H](NCC#Cc2ccccc2)[C@H]2CCO[C@@H]21 ZINC000451468090 331030622 /nfs/dbraw/zinc/03/06/22/331030622.db2.gz JSZKBFIIDVQXOO-OAGGEKHMSA-N 0 3 255.361 2.441 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000451596694 331035603 /nfs/dbraw/zinc/03/56/03/331035603.db2.gz GWSLHNXPRLDWRK-AHDPXTMNSA-N 0 3 280.412 2.098 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(C(=O)OC)oc1CC ZINC000451608716 331036672 /nfs/dbraw/zinc/03/66/72/331036672.db2.gz TYHYOKFVXUHGLN-YPMHNXCESA-N 0 3 279.336 2.062 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCCC1=CCCCC1 ZINC000451685189 331039104 /nfs/dbraw/zinc/03/91/04/331039104.db2.gz ZDDPSVQZKKQHMP-CVEARBPZSA-N 0 3 292.423 2.316 20 30 CEEDHN CC#CCCN1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000451998873 331049769 /nfs/dbraw/zinc/04/97/69/331049769.db2.gz CDFAFCZTRUXREP-CVEARBPZSA-N 0 3 271.360 2.288 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCC[C@H]1OCC ZINC000452018216 331050592 /nfs/dbraw/zinc/05/05/92/331050592.db2.gz LMCNLUNWQMDYSD-RRFJBIMHSA-N 0 3 282.428 2.347 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H](F)C1 ZINC000452798630 331078210 /nfs/dbraw/zinc/07/82/10/331078210.db2.gz QZCYMVUKCSXVSB-KBPBESRZSA-N 0 3 260.312 2.329 20 30 CEEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(OC)c(O)c1 ZINC000453349903 331120587 /nfs/dbraw/zinc/12/05/87/331120587.db2.gz JNSUYJXWDPTLSI-AAEUAGOBSA-N 0 3 265.353 2.379 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000453351034 331120762 /nfs/dbraw/zinc/12/07/62/331120762.db2.gz JALFIYUJMIKVHD-AONVYAMJSA-N 0 3 279.405 2.418 20 30 CEEDHN C=C(CC)CNC(=O)NC[C@H]1CCCCN1CC ZINC000454481170 331147099 /nfs/dbraw/zinc/14/70/99/331147099.db2.gz IDZFHVMFCWEKBW-CYBMUJFWSA-N 0 3 253.390 2.126 20 30 CEEDHN C=C(C)CCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000454645643 331150386 /nfs/dbraw/zinc/15/03/86/331150386.db2.gz PIDHCILVELEDCW-AWEZNQCLSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)NC[C@H](C)N(C)C ZINC000455430198 331169742 /nfs/dbraw/zinc/16/97/42/331169742.db2.gz KAWDARPPRJMUFI-HNNXBMFYSA-N 0 3 289.423 2.377 20 30 CEEDHN CN(C)CCN(C)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455704794 331175827 /nfs/dbraw/zinc/17/58/27/331175827.db2.gz ODOWIXLEPUZRLP-UHFFFAOYSA-N 0 3 294.786 2.431 20 30 CEEDHN C[C@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)N(C)C ZINC000455704751 331175879 /nfs/dbraw/zinc/17/58/79/331175879.db2.gz NZHULAHQHGDJPA-SNVBAGLBSA-N 0 3 294.786 2.478 20 30 CEEDHN C=CCC[C@H](CO)NC(=O)C(C#N)CCc1ccccc1 ZINC000456757644 331200490 /nfs/dbraw/zinc/20/04/90/331200490.db2.gz BFYFHRBXJQRUPY-HZPDHXFCSA-N 0 3 286.375 2.202 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCCN1CC ZINC000457552564 331226732 /nfs/dbraw/zinc/22/67/32/331226732.db2.gz HOGPAMVAMDNATO-BZUAXINKSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000457552098 331226766 /nfs/dbraw/zinc/22/67/66/331226766.db2.gz BXOMICVXIXUCKR-BZUAXINKSA-N 0 3 292.423 2.053 20 30 CEEDHN Cc1ncc(CNC(=O)C(C#N)CCc2ccccc2)o1 ZINC000458081730 331242376 /nfs/dbraw/zinc/24/23/76/331242376.db2.gz WGLAGEVHVSMLJM-AWEZNQCLSA-N 0 3 283.331 2.372 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H]2C[C@H]1CS2 ZINC000458334462 331249248 /nfs/dbraw/zinc/24/92/48/331249248.db2.gz OIKQQCYNEMWLHJ-KKUMJFAQSA-N 0 3 286.400 2.475 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)N[C@H]2CC[C@@H](CC#N)C2)C1 ZINC000459011998 331266430 /nfs/dbraw/zinc/26/64/30/331266430.db2.gz OBWTVKGLORKUMA-KKUMJFAQSA-N 0 3 292.427 2.193 20 30 CEEDHN C=C(CC)CNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000459092767 331270117 /nfs/dbraw/zinc/27/01/17/331270117.db2.gz NJKNWDOCVCEQHW-CYBMUJFWSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCC[C@H](NC1CCN(C2CC2)CC1)C(=O)OCC ZINC000459577496 331288989 /nfs/dbraw/zinc/28/89/89/331288989.db2.gz WLVAISSQVJMPFC-HNNXBMFYSA-N 0 3 280.412 2.101 20 30 CEEDHN C=CCN(C)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000488902174 332032961 /nfs/dbraw/zinc/03/29/61/332032961.db2.gz OIWBROZZBRHQEL-STQMWFEESA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCn1cccc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000488870886 332030428 /nfs/dbraw/zinc/03/04/28/332030428.db2.gz UIQBKLUOSNNYEB-HNNXBMFYSA-N 0 3 287.407 2.375 20 30 CEEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1 ZINC000489519776 332057923 /nfs/dbraw/zinc/05/79/23/332057923.db2.gz YHLZVDKOJLIAHL-HUUCEWRRSA-N 0 3 261.365 2.467 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ncccc2C(C)C)CC1 ZINC000490852001 332120542 /nfs/dbraw/zinc/12/05/42/332120542.db2.gz JIPHODLMSNVONX-UHFFFAOYSA-N 0 3 285.391 2.489 20 30 CEEDHN C#CCN(C(=O)NCc1ccc(CN(C)C)cc1)C1CC1 ZINC000491229674 332170194 /nfs/dbraw/zinc/17/01/94/332170194.db2.gz IRHLICCOGSVUND-UHFFFAOYSA-N 0 3 285.391 2.055 20 30 CEEDHN C#CCN(C)CCCN[C@H](CCC)c1ccccn1 ZINC000491326364 332190300 /nfs/dbraw/zinc/19/03/00/332190300.db2.gz MJYXTTQSSCWAKK-OAHLLOKOSA-N 0 3 259.397 2.468 20 30 CEEDHN C#CCN(C)CCCNC(=O)C/C=C/c1ccc(F)cc1 ZINC000491462045 332216018 /nfs/dbraw/zinc/21/60/18/332216018.db2.gz GLVPRQAXTPQHSY-GQCTYLIASA-N 0 3 288.366 2.300 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1Cc2ccccc2C[C@@H]1C ZINC000491514808 332227023 /nfs/dbraw/zinc/22/70/23/332227023.db2.gz KEMZQFSKVLHAQN-HNNXBMFYSA-N 0 3 299.418 2.098 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@]2(CC)C(C)C)CC1 ZINC000491554221 332236497 /nfs/dbraw/zinc/23/64/97/332236497.db2.gz HGCYBMGHIAAVED-NVXWUHKLSA-N 0 3 276.424 2.273 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000491565652 332238595 /nfs/dbraw/zinc/23/85/95/332238595.db2.gz BDGVTNJVKTVBBE-INIZCTEOSA-N 0 3 287.407 2.349 20 30 CEEDHN C#C[C@@H](NCc1cccc(OCCOC)c1)C(C)C ZINC000491661828 332271626 /nfs/dbraw/zinc/27/16/26/332271626.db2.gz QBAARFKQQOJGGJ-MRXNPFEDSA-N 0 3 261.365 2.459 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000491710976 332302691 /nfs/dbraw/zinc/30/26/91/332302691.db2.gz SNPNXZRKSBIJDH-VYDXJSESSA-N 0 3 299.418 2.170 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@H](C)CC(C)C ZINC000491712807 332303960 /nfs/dbraw/zinc/30/39/60/332303960.db2.gz ATBCGWSWBUCXNI-CQSZACIVSA-N 0 3 252.402 2.130 20 30 CEEDHN C#C[C@@H](CC)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000491733356 332314741 /nfs/dbraw/zinc/31/47/41/332314741.db2.gz NYFVPVRBBUYQAV-KRWDZBQOSA-N 0 3 299.418 2.316 20 30 CEEDHN C#C[C@@H](CC)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000491733936 332314870 /nfs/dbraw/zinc/31/48/70/332314870.db2.gz RWKHLSRONVPFIR-INIZCTEOSA-N 0 3 270.376 2.424 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC[C@H](C(C)(C)C)C1 ZINC000491750803 332327345 /nfs/dbraw/zinc/32/73/45/332327345.db2.gz SLVHISXTEOBMHM-AWEZNQCLSA-N 0 3 279.428 2.019 20 30 CEEDHN C#C[C@H](C)N(C)CCCN(CC)CC(F)(F)F ZINC000491761127 332331723 /nfs/dbraw/zinc/33/17/23/332331723.db2.gz UQUDTMYGPJEIKO-NSHDSACASA-N 0 3 250.308 2.214 20 30 CEEDHN C#CCN1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000491765227 332333754 /nfs/dbraw/zinc/33/37/54/332333754.db2.gz FDCRIWXGLGZMEA-UHFFFAOYSA-N 0 3 286.375 2.258 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)CC1CCCC1 ZINC000491774029 332339950 /nfs/dbraw/zinc/33/99/50/332339950.db2.gz SLOTYGBHNCTOKQ-AWEZNQCLSA-N 0 3 264.413 2.274 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](CC)C2CCCC2)CC1 ZINC000491814412 332365845 /nfs/dbraw/zinc/36/58/45/332365845.db2.gz CRZZTXMZZAOKRE-MRXNPFEDSA-N 0 3 276.424 2.417 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)/C=C\c2cncs2)CC1 ZINC000493061805 332424827 /nfs/dbraw/zinc/42/48/27/332424827.db2.gz ONOHWSVJYDCRJW-ARJAWSKDSA-N 0 3 291.420 2.313 20 30 CEEDHN CN(C)C/C=C\C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000493760484 332453115 /nfs/dbraw/zinc/45/31/15/332453115.db2.gz VLDISUFLYBYUHV-XMELGKRDSA-N 0 3 263.385 2.083 20 30 CEEDHN CCOC(=O)N(C)C1CCN([C@H](C)CCC#N)CC1 ZINC000496037649 332536891 /nfs/dbraw/zinc/53/68/91/332536891.db2.gz YLHWNYGOBHNQGG-GFCCVEGCSA-N 0 3 267.373 2.231 20 30 CEEDHN C=CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000175506802 333026100 /nfs/dbraw/zinc/02/61/00/333026100.db2.gz OYCKTMUHTLNNPB-UHFFFAOYSA-N 0 3 287.407 2.478 20 30 CEEDHN CC(C)N1CCN(CCCN(CC#N)C2CCCC2)CC1 ZINC000192744258 333238865 /nfs/dbraw/zinc/23/88/65/333238865.db2.gz SYGOIECYYYRAKK-UHFFFAOYSA-N 0 3 292.471 2.171 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](C)[C@@H]2C)CC1 ZINC000173195596 335129064 /nfs/dbraw/zinc/12/90/64/335129064.db2.gz YSMIPHSNXPIREC-KBPBESRZSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCOc1ccc(CNC[C@H](COC)OC)cc1 ZINC000227705109 333287429 /nfs/dbraw/zinc/28/74/29/333287429.db2.gz VJYSTRZEXSJCMU-OAHLLOKOSA-N 0 3 265.353 2.002 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H](O)[C@H](C)C2)cc1OC ZINC000250131084 333302685 /nfs/dbraw/zinc/30/26/85/333302685.db2.gz XCHSKSKYPVEPIG-UKRRQHHQSA-N 0 3 291.391 2.463 20 30 CEEDHN COc1cccc(C[C@@H]2CCCN2C(=O)C(C)C#N)c1 ZINC000522983871 333303162 /nfs/dbraw/zinc/30/31/62/333303162.db2.gz OOGKRGSEVRVYNI-JSGCOSHPSA-N 0 3 272.348 2.388 20 30 CEEDHN C#CCCCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000229557860 333306204 /nfs/dbraw/zinc/30/62/04/333306204.db2.gz QSWPVQDTXRQJNB-CYBMUJFWSA-N 0 3 281.352 2.047 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)CC1 ZINC000528448871 333438570 /nfs/dbraw/zinc/43/85/70/333438570.db2.gz MBPGGPPDVWMMGP-FQLMCAECSA-N 0 3 294.439 2.203 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ncsc2C)CC1 ZINC000529147561 333474620 /nfs/dbraw/zinc/47/46/20/333474620.db2.gz VCAAQMWRSFSYLK-UHFFFAOYSA-N 0 3 280.397 2.223 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(F)cn1 ZINC000529554906 333497560 /nfs/dbraw/zinc/49/75/60/333497560.db2.gz GGIVZTPMIVUZRI-BXUZGUMPSA-N 0 3 250.317 2.292 20 30 CEEDHN Cc1cccc(OC[C@@H](O)CN2CCC(CC#N)CC2)c1 ZINC000541020294 333759270 /nfs/dbraw/zinc/75/92/70/333759270.db2.gz OHJVKULGJIKSQV-INIZCTEOSA-N 0 3 288.391 2.360 20 30 CEEDHN CN(CCC(=O)NC1(C#N)CCCCC1)c1ccncc1 ZINC000543713497 333891039 /nfs/dbraw/zinc/89/10/39/333891039.db2.gz HRFCWPFTLGPDKY-UHFFFAOYSA-N 0 3 286.379 2.251 20 30 CEEDHN C[C@H](C#N)CN[C@@H](C)CCCOc1ccccc1C(N)=O ZINC000546716105 334047650 /nfs/dbraw/zinc/04/76/50/334047650.db2.gz IOJONCRCXISKJU-OLZOCXBDSA-N 0 3 289.379 2.082 20 30 CEEDHN CNC(=O)[C@H](C)CN(C)CC#Cc1ccccc1Cl ZINC000135120897 334116584 /nfs/dbraw/zinc/11/65/84/334116584.db2.gz GXGJYWDPOUHDJE-GFCCVEGCSA-N 0 3 278.783 2.005 20 30 CEEDHN CC(C)C[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000245499572 334198029 /nfs/dbraw/zinc/19/80/29/334198029.db2.gz YJHKOQSEGUAZIT-GOEBONIOSA-N 0 3 279.428 2.409 20 30 CEEDHN COc1cccc(N2C[C@H](N[C@H]3CC[C@@H](C#N)C3)CC2=O)c1 ZINC000549814384 334205581 /nfs/dbraw/zinc/20/55/81/334205581.db2.gz NXNWOKSNRRDAJX-HZSPNIEDSA-N 0 3 299.374 2.082 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](C)C[C@@H](C)C1 ZINC000246544090 334264004 /nfs/dbraw/zinc/26/40/04/334264004.db2.gz DDHYNIWCBBCNNO-ZIAGYGMSSA-N 0 3 265.401 2.117 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]2CCC[C@H]21 ZINC000252480404 334381392 /nfs/dbraw/zinc/38/13/92/334381392.db2.gz AIWGCWQESVGHNE-UONOGXRCSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@@H](C#N)CNC(=O)Nc1ccccc1CCN(C)C ZINC000556027788 334493385 /nfs/dbraw/zinc/49/33/85/334493385.db2.gz IJGMSRHSFODYJN-LBPRGKRZSA-N 0 3 274.368 2.072 20 30 CEEDHN C=CCCOCCN[C@@H](C)c1ccnc(OC)c1 ZINC000556264088 334504843 /nfs/dbraw/zinc/50/48/43/334504843.db2.gz KSDGIZZWBZFRDW-LBPRGKRZSA-N 0 3 250.342 2.334 20 30 CEEDHN CC(C)(CC#N)CNC[C@H](O)COc1ccccc1F ZINC000566122462 334625341 /nfs/dbraw/zinc/62/53/41/334625341.db2.gz MJYPADPYAOUNGW-LBPRGKRZSA-N 0 3 280.343 2.095 20 30 CEEDHN C=CCCCCCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000577505017 335361246 /nfs/dbraw/zinc/36/12/46/335361246.db2.gz BDDZMXQNSGWCOH-OAHLLOKOSA-N 0 3 277.412 2.389 20 30 CEEDHN C=CCN[C@@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000179728202 335512743 /nfs/dbraw/zinc/51/27/43/335512743.db2.gz BDXBCXGYGBHQGJ-AWEZNQCLSA-N 0 3 276.380 2.380 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CCCCCO2)CC1 ZINC000581050025 336000854 /nfs/dbraw/zinc/00/08/54/336000854.db2.gz CMVVSMUSDHCJPF-UHFFFAOYSA-N 0 3 281.400 2.154 20 30 CEEDHN C=CCSCCNC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000194628271 336034529 /nfs/dbraw/zinc/03/45/29/336034529.db2.gz QQHOGHXGLVBNPY-KBPBESRZSA-N 0 3 299.484 2.325 20 30 CEEDHN Cc1cc(CN(C[C@@H]2CCC(=O)N2)C(C)C)ccc1C#N ZINC000412091328 534169805 /nfs/dbraw/zinc/16/98/05/534169805.db2.gz USPJBYQRNCUOCX-INIZCTEOSA-N 0 3 285.391 2.356 20 30 CEEDHN C=CCN1CCC(c2nnc3cc(C)ccn32)CC1 ZINC000372556062 517334176 /nfs/dbraw/zinc/33/41/76/517334176.db2.gz VHHNRNRHGVVKDH-UHFFFAOYSA-N 0 3 256.353 2.403 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000347124466 534285731 /nfs/dbraw/zinc/28/57/31/534285731.db2.gz OSBGPMKXOADPQP-XLDPMVHQSA-N 0 3 250.248 2.097 20 30 CEEDHN C[C@@H]1C[C@@H](C(=O)NC2CCN(C3CC3)CC2)CC(=O)N1 ZINC000329321848 518180517 /nfs/dbraw/zinc/18/05/17/518180517.db2.gz JJKWWAGOTIUXNN-GHMZBOCLSA-N 0 3 279.384 2.325 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000181777290 518282526 /nfs/dbraw/zinc/28/25/26/518282526.db2.gz MQHIGXNFBMABCX-KGLIPLIRSA-N 0 3 272.392 2.080 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(OC)c(OC(F)F)c1 ZINC000184275128 519117551 /nfs/dbraw/zinc/11/75/51/519117551.db2.gz SVVOHRZRULGVPX-LLVKDONJSA-N 0 3 287.306 2.323 20 30 CEEDHN N#CC1(C(=O)NCC2(N3CCCC3)CCOCC2)CCC1 ZINC000329763440 534541488 /nfs/dbraw/zinc/54/14/88/534541488.db2.gz UNBXGLZAMMLHHB-UHFFFAOYSA-N 0 3 291.395 2.282 20 30 CEEDHN C=CCCCC(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000262840212 534668641 /nfs/dbraw/zinc/66/86/41/534668641.db2.gz XFBXBKJSOJLRLH-UHFFFAOYSA-N 0 3 285.351 2.225 20 30 CEEDHN CC[C@H](C)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000068450341 523915392 /nfs/dbraw/zinc/91/53/92/523915392.db2.gz XTSUDIPBSHJGLO-ZDUSSCGKSA-N 0 3 265.401 2.402 20 30 CEEDHN Cc1csc(CCCCNC(=O)C(C)C#N)n1 ZINC000347140306 534801978 /nfs/dbraw/zinc/80/19/78/534801978.db2.gz SNIXSFONGFMREK-SECBINFHSA-N 0 3 251.355 2.050 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)CC1(N(C)C)CCC1 ZINC000188027800 526187737 /nfs/dbraw/zinc/18/77/37/526187737.db2.gz QEJKFBLCVHNOSV-UHFFFAOYSA-N 0 3 285.391 2.423 20 30 CEEDHN C=CCN(CCc1ccco1)C(=O)NCCN(C)C1CC1 ZINC000353396525 526319040 /nfs/dbraw/zinc/31/90/40/526319040.db2.gz RKWALPRVLCEJFR-UHFFFAOYSA-N 0 3 291.395 2.114 20 30 CEEDHN CC#CCCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000355161934 526327440 /nfs/dbraw/zinc/32/74/40/526327440.db2.gz JWIMYFFGRCKFPJ-OAHLLOKOSA-N 0 3 291.370 2.141 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)COCC ZINC000354857778 526341315 /nfs/dbraw/zinc/34/13/15/526341315.db2.gz WDIPYMVAIQFJIO-OAHLLOKOSA-N 0 3 279.380 2.081 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(OCC)CCCC2)CC1 ZINC000352269085 526420785 /nfs/dbraw/zinc/42/07/85/526420785.db2.gz HRDNZEADLQGBTM-UHFFFAOYSA-N 0 3 280.412 2.102 20 30 CEEDHN N#Cc1cc(CN(CCO)C2CCCCC2)ccn1 ZINC000068760572 526548425 /nfs/dbraw/zinc/54/84/25/526548425.db2.gz YGDVLNJACZRNJY-UHFFFAOYSA-N 0 3 259.353 2.080 20 30 CEEDHN N#Cc1ccc(OCCN2CC[C@H](n3cccn3)C2)cc1 ZINC000365829479 526675000 /nfs/dbraw/zinc/67/50/00/526675000.db2.gz AFXWRSMHDVZLQL-HNNXBMFYSA-N 0 3 282.347 2.081 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000347215746 526710838 /nfs/dbraw/zinc/71/08/38/526710838.db2.gz WWFFDPPOHQMWAG-GJZGRUSLSA-N 0 3 282.428 2.206 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC(n2cccn2)CC1 ZINC000365150967 526746714 /nfs/dbraw/zinc/74/67/14/526746714.db2.gz PUUHRJRKHSFTTL-UHFFFAOYSA-N 0 3 296.374 2.471 20 30 CEEDHN N#Cc1ncn(C2CCN([C@@H]3C[C@@H]3c3ccccc3)CC2)n1 ZINC000365830808 526796230 /nfs/dbraw/zinc/79/62/30/526796230.db2.gz JULFEISMWWHDAL-HZPDHXFCSA-N 0 3 293.374 2.343 20 30 CEEDHN C=CCOc1ccc(CN2CCC(O)(COC)CC2)cc1 ZINC000353876936 526865453 /nfs/dbraw/zinc/86/54/53/526865453.db2.gz ANLFBRYTYAYXBB-UHFFFAOYSA-N 0 3 291.391 2.225 20 30 CEEDHN C=CCSCCNCc1ncc(CN(C)C)s1 ZINC000352732692 527003727 /nfs/dbraw/zinc/00/37/27/527003727.db2.gz PGFZCCWEKARWOO-UHFFFAOYSA-N 0 3 271.455 2.214 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000344290427 527185403 /nfs/dbraw/zinc/18/54/03/527185403.db2.gz NUIUXGMFAVTPJU-CHWSQXEVSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCC[C@@H](NCCC(=O)N(C)C)c1ccco1 ZINC000353405983 527447508 /nfs/dbraw/zinc/44/75/08/527447508.db2.gz STGXVXWAMKHVAH-GFCCVEGCSA-N 0 3 250.342 2.355 20 30 CEEDHN Cc1nccnc1CCNCc1cc(C#N)cs1 ZINC000339530254 527451257 /nfs/dbraw/zinc/45/12/57/527451257.db2.gz LAGATXLUYHXALO-UHFFFAOYSA-N 0 3 258.350 2.051 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344708822 527619829 /nfs/dbraw/zinc/61/98/29/527619829.db2.gz YDKGGOSLAXFUTN-WMLDXEAASA-N 0 3 296.455 2.452 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC(C)(C2CC2)CC1 ZINC000352176651 528356643 /nfs/dbraw/zinc/35/66/43/528356643.db2.gz RYBJYDSTLOZJNK-UHFFFAOYSA-N 0 3 277.412 2.261 20 30 CEEDHN CC(C)C[C@@](C)(C#N)NC(=O)C1CCN(C2CC2)CC1 ZINC000331477953 528422728 /nfs/dbraw/zinc/42/27/28/528422728.db2.gz MZSBJXOUNMCYJO-INIZCTEOSA-N 0 3 277.412 2.305 20 30 CEEDHN CCOc1ccc(N(CCC#N)C(=O)C(C)C#N)cc1 ZINC000353775495 528479464 /nfs/dbraw/zinc/47/94/64/528479464.db2.gz SVUZPOKAOCTUJP-LBPRGKRZSA-N 0 3 271.320 2.492 20 30 CEEDHN CCN(C[C@H](O)c1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000048954076 528742088 /nfs/dbraw/zinc/74/20/88/528742088.db2.gz DVEOAITXCPQXID-HOTGVXAUSA-N 0 3 274.364 2.093 20 30 CEEDHN CCOC(=O)C[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC000061953822 528864506 /nfs/dbraw/zinc/86/45/06/528864506.db2.gz HPRVHGZRSBVTMO-GFCCVEGCSA-N 0 3 260.337 2.332 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)Cn1cc2ccccc2n1 ZINC000330113306 529092730 /nfs/dbraw/zinc/09/27/30/529092730.db2.gz SCSOQKZVNWXDPM-AWEZNQCLSA-N 0 3 286.379 2.477 20 30 CEEDHN CN(CCN1CCOC(C)(C)C1)Cc1ccc(C#N)cc1 ZINC000279694547 536375445 /nfs/dbraw/zinc/37/54/45/536375445.db2.gz IAYBMMBYKIGWGJ-UHFFFAOYSA-N 0 3 287.407 2.101 20 30 CEEDHN COc1cc(CNC[C@H](O)c2ccsc2)ccc1C#N ZINC000231983855 536800064 /nfs/dbraw/zinc/80/00/64/536800064.db2.gz DETNQMMKJQKQMB-AWEZNQCLSA-N 0 3 288.372 2.452 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H]1CCOC1 ZINC000740528874 574468728 /nfs/dbraw/zinc/46/87/28/574468728.db2.gz ZQGCJVCTLXQWJR-VXGBXAGGSA-N 0 3 283.331 2.176 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)nc1 ZINC000728860256 574472725 /nfs/dbraw/zinc/47/27/25/574472725.db2.gz CATNXMRUPLUBNL-ZNMIVQPWSA-N 0 3 299.418 2.159 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)/C=C\CCC)CC1 ZINC000729976238 574497590 /nfs/dbraw/zinc/49/75/90/574497590.db2.gz YVBXKNVFRNGXQV-SREVYHEPSA-N 0 3 250.386 2.499 20 30 CEEDHN C=C(CN(C)C)C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000764537224 574598713 /nfs/dbraw/zinc/59/87/13/574598713.db2.gz AAMXWPYWCDQVBS-MGPQQGTHSA-N 0 3 250.386 2.284 20 30 CEEDHN C=C(CN(C)C)C(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000764579889 574599082 /nfs/dbraw/zinc/59/90/82/574599082.db2.gz XZMJPJFCZFBURP-LBPRGKRZSA-N 0 3 296.798 2.341 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ncoc2C(C)C)CC1 ZINC000732079105 574612143 /nfs/dbraw/zinc/61/21/43/574612143.db2.gz LPMYAUSPQBGESH-UHFFFAOYSA-N 0 3 277.368 2.178 20 30 CEEDHN C=CC[C@H](NC(=O)N[C@@H]1CCCN(C)C1)c1ccncc1 ZINC000734661270 574724647 /nfs/dbraw/zinc/72/46/47/574724647.db2.gz LAHZXGVFLPZPGS-CABCVRRESA-N 0 3 288.395 2.092 20 30 CEEDHN C=CC[C@@H](NC(=O)NC[C@H]1CCCN1C)c1ccncc1 ZINC000734663142 574724658 /nfs/dbraw/zinc/72/46/58/574724658.db2.gz HNBVXYFDWUNNBQ-HUUCEWRRSA-N 0 3 288.395 2.092 20 30 CEEDHN N#CCOc1ccc(Cl)cc1CN(CCO)CC1CC1 ZINC000735309255 574752464 /nfs/dbraw/zinc/75/24/64/574752464.db2.gz JXJSPQDNESLXEY-UHFFFAOYSA-N 0 3 294.782 2.447 20 30 CEEDHN C=CCN(CCn1cnc2ccccc2c1=O)C(C)C ZINC000735308619 574752509 /nfs/dbraw/zinc/75/25/09/574752509.db2.gz LGLIRSKSGZBBTA-UHFFFAOYSA-N 0 3 271.364 2.293 20 30 CEEDHN CCCCCCN(C)CC(=O)N[C@@H](C#N)C(C)C ZINC000735657500 574763720 /nfs/dbraw/zinc/76/37/20/574763720.db2.gz QHEJBJSFNJPIKR-ZDUSSCGKSA-N 0 3 253.390 2.163 20 30 CEEDHN CC(C#N)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735844281 574769797 /nfs/dbraw/zinc/76/97/97/574769797.db2.gz BNMYVFTZBXYVLZ-MRVPVSSYSA-N 0 3 281.699 2.366 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2c(F)cccc2F)CC1 ZINC000740737374 574967007 /nfs/dbraw/zinc/96/70/07/574967007.db2.gz BDSIPYLZUYBDHS-UHFFFAOYSA-N 0 3 292.329 2.182 20 30 CEEDHN 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ZINC000972208839 613618358 /nfs/dbraw/zinc/61/83/58/613618358.db2.gz FXKUWDSFWWOAHW-LLVKDONJSA-N 0 3 298.308 2.436 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC000972285744 613618928 /nfs/dbraw/zinc/61/89/28/613618928.db2.gz XAYNUAIMAZELCH-LZWOXQAQSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc3c(c2)CCN3C)C1 ZINC000972681466 613621821 /nfs/dbraw/zinc/62/18/21/613621821.db2.gz ZYYBEVSAZOVVOD-MRXNPFEDSA-N 0 3 299.418 2.011 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c3c[nH]nc3ccc2C)C1 ZINC000971825435 613634916 /nfs/dbraw/zinc/63/49/16/613634916.db2.gz YYRIPLRXXHCFIR-ZDUSSCGKSA-N 0 3 298.390 2.204 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc(F)c2C)C1 ZINC000971575110 613637343 /nfs/dbraw/zinc/63/73/43/613637343.db2.gz BYKQXRRLEZAZJU-ZDUSSCGKSA-N 0 3 276.355 2.466 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc3nc(C)[nH]c32)C1 ZINC000972674572 613637661 /nfs/dbraw/zinc/63/76/61/613637661.db2.gz XAICQHMLQMWHSE-ZDUSSCGKSA-N 0 3 298.390 2.204 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC000982046408 613679962 /nfs/dbraw/zinc/67/99/62/613679962.db2.gz JQPHDQAFAVTKPX-CQSZACIVSA-N 0 3 264.413 2.389 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)c3ccco3)C2)C1 ZINC000981587140 613682736 /nfs/dbraw/zinc/68/27/36/613682736.db2.gz ULTMBEKWGMVECW-UHFFFAOYSA-N 0 3 260.337 2.004 20 30 CEEDHN C=CCN1CCCCC[C@H]1CNC(=O)C1CC(OCC)C1 ZINC000968833778 613685483 /nfs/dbraw/zinc/68/54/83/613685483.db2.gz KOZIFVCSSKIYPU-PCKAHOCUSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc(F)cn1 ZINC000968826153 613687090 /nfs/dbraw/zinc/68/70/90/613687090.db2.gz VCSJNEJLJVHZBM-AWEZNQCLSA-N 0 3 291.370 2.381 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)co2)[C@@H](C)C1 ZINC000942566360 613749645 /nfs/dbraw/zinc/74/96/45/613749645.db2.gz ZBGULCNNJPNMOD-QWHCGFSZSA-N 0 3 262.353 2.214 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(OC)c2)C[C@@H]1C ZINC000947966622 613754204 /nfs/dbraw/zinc/75/42/04/613754204.db2.gz DVRNNKNVSGKGSH-DZGCQCFKSA-N 0 3 288.391 2.464 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2ccn(C)c2CC)C[C@@H]1C ZINC000947722419 613755950 /nfs/dbraw/zinc/75/59/50/613755950.db2.gz JRDQHCIDKIWTHF-UONOGXRCSA-N 0 3 289.423 2.356 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2coc(C3CC3)n2)C[C@H]1C ZINC000947788113 613759641 /nfs/dbraw/zinc/75/96/41/613759641.db2.gz GJBAUIYYRNCKBN-DGCLKSJQSA-N 0 3 289.379 2.321 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)n2cccc2)C(C)(C)C1 ZINC000940681582 613784313 /nfs/dbraw/zinc/78/43/13/613784313.db2.gz SCXCTNRLPYKCKA-CABCVRRESA-N 0 3 289.423 2.452 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)nc2C)C[C@@H]1C ZINC000948056793 613789851 /nfs/dbraw/zinc/78/98/51/613789851.db2.gz MGWQWEWGLFNNFU-ZFWWWQNUSA-N 0 3 287.407 2.467 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3[nH]cnc32)[C@@H](C)C1 ZINC000943743543 613791828 /nfs/dbraw/zinc/79/18/28/613791828.db2.gz AQBOJONKLAUGFY-JSGCOSHPSA-N 0 3 298.390 2.189 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2coc(CCC)n2)[C@H](C)C1 ZINC000944136477 613798502 /nfs/dbraw/zinc/79/85/02/613798502.db2.gz UTXYGZAWMQUJMM-OLZOCXBDSA-N 0 3 291.395 2.253 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ncccc2F)C(C)(C)C1 ZINC000941123531 613800215 /nfs/dbraw/zinc/80/02/15/613800215.db2.gz ILCDZVBMPKTJDZ-ZDUSSCGKSA-N 0 3 291.370 2.237 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2occc2CC)[C@@H](C)C1 ZINC000942605239 613801084 /nfs/dbraw/zinc/80/10/84/613801084.db2.gz HPZBJTDASIRPAZ-JSGCOSHPSA-N 0 3 276.380 2.468 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2sccc2OC)[C@H](C)C1 ZINC000944241374 613801555 /nfs/dbraw/zinc/80/15/55/613801555.db2.gz IXXKZGVRCPXZCA-NEPJUHHUSA-N 0 3 294.420 2.383 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2scnc2CC)[C@@H](C)C1 ZINC000942109758 613802028 /nfs/dbraw/zinc/80/20/28/613802028.db2.gz QNJPYRIFEOSQPN-AAEUAGOBSA-N 0 3 293.436 2.332 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccccc2)C(C)(C)C1 ZINC000974731509 613807050 /nfs/dbraw/zinc/80/70/50/613807050.db2.gz CPVNQPJOAWAEDV-OAHLLOKOSA-N 0 3 272.392 2.242 20 30 CEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3ccco3)C[C@]2(C)C1 ZINC000982188862 613823881 /nfs/dbraw/zinc/82/38/81/613823881.db2.gz DVWPRCYOODWEIG-IYBDPMFKSA-N 0 3 274.364 2.250 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCCCCC1 ZINC000958659256 613837355 /nfs/dbraw/zinc/83/73/55/613837355.db2.gz HOCYDOZIONOERI-FICVDOATSA-N 0 3 260.381 2.109 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)c1cc(C)oc1C ZINC000962062213 613840134 /nfs/dbraw/zinc/84/01/34/613840134.db2.gz TXIYIDADHKBNGN-FWYOQMDTSA-N 0 3 288.391 2.232 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)cc(C)c1 ZINC000962399110 613840815 /nfs/dbraw/zinc/84/08/15/613840815.db2.gz IFKLQBUZSAKBNU-ZSHCYNCHSA-N 0 3 270.376 2.149 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(F)cc(Cl)c1 ZINC000961858187 613841390 /nfs/dbraw/zinc/84/13/90/613841390.db2.gz OAMNRXNIRIMHSG-WDNDVIMCSA-N 0 3 294.757 2.325 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(Cl)cs1 ZINC000961928789 613841408 /nfs/dbraw/zinc/84/14/08/613841408.db2.gz AQUKOLVVJIPNDE-IAZYJMLFSA-N 0 3 282.796 2.248 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)sc1C ZINC000960896496 613841506 /nfs/dbraw/zinc/84/15/06/613841506.db2.gz BTXJSSJCOQNVLH-WDNDVIMCSA-N 0 3 276.405 2.211 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sc(C)cc1C ZINC000960107869 613844721 /nfs/dbraw/zinc/84/47/21/613844721.db2.gz YRLOOPCZCPLKMK-ITGUQSILSA-N 0 3 276.405 2.211 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC001024387908 625537553 /nfs/dbraw/zinc/53/75/53/625537553.db2.gz SZMFYUAFJMKRRX-HUUCEWRRSA-N 0 3 280.412 2.102 20 30 CEEDHN C[C@@H](O)CNN=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841640405 625545079 /nfs/dbraw/zinc/54/50/79/625545079.db2.gz JWXMAHGKRABJNZ-DYVFJYSZSA-N 0 3 287.407 2.312 20 30 CEEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1=CCCC1 ZINC001024392795 625548742 /nfs/dbraw/zinc/54/87/42/625548742.db2.gz WLMCQMHVKQKHNX-HNNXBMFYSA-N 0 3 260.381 2.091 20 30 CEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001024418173 625549206 /nfs/dbraw/zinc/54/92/06/625549206.db2.gz CTTJCDOVYVJQSS-AVGNSLFASA-N 0 3 286.366 2.434 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H](F)C2)C1 ZINC001020516909 622668752 /nfs/dbraw/zinc/66/87/52/622668752.db2.gz UJZIBWANKVBNBW-DDHJBXDOSA-N 0 3 274.767 2.114 20 30 CEEDHN CC(=O)N1CCC[C@H]2CN(Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC001021477673 623215996 /nfs/dbraw/zinc/21/59/96/623215996.db2.gz DHAYBYFHXIBTHC-ROUUACIJSA-N 0 3 297.402 2.391 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C=C(C)C)C1 ZINC001021512364 623241921 /nfs/dbraw/zinc/24/19/21/623241921.db2.gz XCNVLQOBXAIBDO-HZPDHXFCSA-N 0 3 274.408 2.289 20 30 CEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C)o2)C1 ZINC001021515641 623243758 /nfs/dbraw/zinc/24/37/58/623243758.db2.gz VBMWWBIQFOZGMT-GJZGRUSLSA-N 0 3 286.375 2.148 20 30 CEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc[nH]c2CC)C1 ZINC001021581944 623315264 /nfs/dbraw/zinc/31/52/64/623315264.db2.gz RYWBBDMNWYFDIK-RHSMWYFYSA-N 0 3 299.418 2.137 20 30 CEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001024557370 625639057 /nfs/dbraw/zinc/63/90/57/625639057.db2.gz SNDHRKISZBTXMF-MRXNPFEDSA-N 0 3 299.418 2.306 20 30 CEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)C2C=CC=CC=C2)C1 ZINC001021603738 623335399 /nfs/dbraw/zinc/33/53/99/623335399.db2.gz RLTBFFCSKPBHNO-MSOLQXFVSA-N 0 3 296.414 2.231 20 30 CEEDHN C=CC[C@@H](C(=O)OC)N1CCC[C@H](C2CCOCC2)C1 ZINC000933088805 623488425 /nfs/dbraw/zinc/48/84/25/623488425.db2.gz NWLDUWDKJWEVKY-GJZGRUSLSA-N 0 3 281.396 2.243 20 30 CEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)C=C2CCC2)C1 ZINC001021952121 623591018 /nfs/dbraw/zinc/59/10/18/623591018.db2.gz CVABXSGMEUVMLO-TXEJJXNPSA-N 0 3 299.212 2.242 20 30 CEEDHN Cc1noc(C[C@@H]2CCCN([C@@H]3CC[C@H](C#N)C3)C2)n1 ZINC000933568296 623845758 /nfs/dbraw/zinc/84/57/58/623845758.db2.gz CGZAUJLJAPAWPV-MELADBBJSA-N 0 3 274.368 2.325 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(C)CCC2)C1 ZINC001022552666 624229610 /nfs/dbraw/zinc/22/96/10/624229610.db2.gz IBJRWJRGSFSNGL-PHIMTYICSA-N 0 3 256.777 2.166 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCN(c2ccccc2)[C@@H](C)C1 ZINC000934322665 624412214 /nfs/dbraw/zinc/41/22/14/624412214.db2.gz PAHHLHNKOWTFCS-GOEBONIOSA-N 0 3 260.381 2.134 20 30 CEEDHN C=CCN[C@](C)(CO)c1cccc(Br)c1 ZINC000934497412 624542336 /nfs/dbraw/zinc/54/23/36/624542336.db2.gz KXAXOYHKNJQLTP-GFCCVEGCSA-N 0 3 270.170 2.432 20 30 CEEDHN C#C[C@@H]1CCCCN1C[C@@H]1CCC2(CCOCC2)O1 ZINC000934517725 624556178 /nfs/dbraw/zinc/55/61/78/624556178.db2.gz ALFWXPZDYWJEMO-CABCVRRESA-N 0 3 263.381 2.202 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccccc2F)C1 ZINC001023204508 624961382 /nfs/dbraw/zinc/96/13/82/624961382.db2.gz SEOADBIFJSRMFI-CQSZACIVSA-N 0 3 288.366 2.291 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000892351570 624978855 /nfs/dbraw/zinc/97/88/55/624978855.db2.gz MRFNYZJTQUNZSA-CHWSQXEVSA-N 0 3 267.417 2.371 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2cscc2C)C1 ZINC001023297664 624985448 /nfs/dbraw/zinc/98/54/48/624985448.db2.gz NQFXDBMBARZEQH-CYBMUJFWSA-N 0 3 276.405 2.132 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc(C)c2F)C1 ZINC001023384470 625001611 /nfs/dbraw/zinc/00/16/11/625001611.db2.gz ILHAXGIPDHTROW-CQSZACIVSA-N 0 3 288.366 2.209 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(F)c(F)c2)C1 ZINC001023416154 625008610 /nfs/dbraw/zinc/00/86/10/625008610.db2.gz UNQIHLFXPDLVIT-GFCCVEGCSA-N 0 3 292.329 2.040 20 30 CEEDHN C=CCN1CCC[C@H](CNC(=O)c2cnc(C3CC3)o2)C1 ZINC001023418381 625009644 /nfs/dbraw/zinc/00/96/44/625009644.db2.gz AOIRGABDABQAQK-GFCCVEGCSA-N 0 3 289.379 2.180 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cccc(C(C)C)n2)C1 ZINC001023468052 625019355 /nfs/dbraw/zinc/01/93/55/625019355.db2.gz IGSVEKMPPYMPAA-HNNXBMFYSA-N 0 3 299.418 2.280 20 30 CEEDHN C=CCN1CCC[C@@H](CNC(=O)c2cc3ncccc3o2)C1 ZINC001023494691 625024246 /nfs/dbraw/zinc/02/42/46/625024246.db2.gz PGCVVDPAFPOKTJ-ZDUSSCGKSA-N 0 3 299.374 2.456 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(Cl)cs2)C1 ZINC001023629118 625082269 /nfs/dbraw/zinc/08/22/69/625082269.db2.gz IFXYCWFUAUACOC-LLVKDONJSA-N 0 3 296.823 2.477 20 30 CEEDHN C#CCCN[C@@H](CO)c1cccc(Br)c1 ZINC000308943447 625100579 /nfs/dbraw/zinc/10/05/79/625100579.db2.gz RFPOJPMBWUPSFP-LBPRGKRZSA-N 0 3 268.154 2.095 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)C23CCC(CC2)CC3)C1 ZINC001023759749 625198291 /nfs/dbraw/zinc/19/82/91/625198291.db2.gz JHIRLZPXGIJTPV-UPTPFMHGSA-N 0 3 288.435 2.418 20 30 CEEDHN CC(=O)N1CCC[C@H](CNCc2cc(F)ccc2C#N)C1 ZINC001023781459 625213311 /nfs/dbraw/zinc/21/33/11/625213311.db2.gz OBOUJBWREOTTHC-CYBMUJFWSA-N 0 3 289.354 2.045 20 30 CEEDHN C=C1CCC(C(=O)NC[C@@H]2CCCCN2CCOC)CC1 ZINC001024631765 625731523 /nfs/dbraw/zinc/73/15/23/625731523.db2.gz OPLOMOXJRZIDTG-INIZCTEOSA-N 0 3 294.439 2.350 20 30 CEEDHN C#CCCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000178165938 625957994 /nfs/dbraw/zinc/95/79/94/625957994.db2.gz FHXRHFCZFVYZTM-UHFFFAOYSA-N 0 3 277.412 2.060 20 30 CEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC ZINC001025192814 627375602 /nfs/dbraw/zinc/37/56/02/627375602.db2.gz RNFDRHZACMFVIA-CABCVRRESA-N 0 3 262.397 2.265 20 30 CEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cccn1C ZINC001025201768 627380643 /nfs/dbraw/zinc/38/06/43/627380643.db2.gz RMBIJXPFKNWEBD-JKSUJKDBSA-N 0 3 299.418 2.117 20 30 CEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)/C=C\C1CC1 ZINC001025217424 627384585 /nfs/dbraw/zinc/38/45/85/627384585.db2.gz YYZVQAOMPYXFMD-LXHGKFCDSA-N 0 3 286.419 2.431 20 30 CEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc[nH]c1C ZINC001025222167 627386301 /nfs/dbraw/zinc/38/63/01/627386301.db2.gz SZLMMNWPOIGSSY-IRXDYDNUSA-N 0 3 299.418 2.415 20 30 CEEDHN COc1cc([C@H](C)N[C@@H]2Cc3ccc(C#N)cc3C2)on1 ZINC000926813502 627639451 /nfs/dbraw/zinc/63/94/51/627639451.db2.gz UVRMSEJDNKDYCH-IINYFYTJSA-N 0 3 283.331 2.373 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ncccc2CC)C1 ZINC001025458716 627704510 /nfs/dbraw/zinc/70/45/10/627704510.db2.gz BXNFVHJDIVOYCC-GDBMZVCRSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C)nc2C)C1 ZINC001025627008 627824359 /nfs/dbraw/zinc/82/43/59/627824359.db2.gz HJAGBDGEMOIWDN-ZBFHGGJFSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCN(C)CCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000328196938 627867457 /nfs/dbraw/zinc/86/74/57/627867457.db2.gz RTGCLGAZSHMPPH-UHFFFAOYSA-N 0 3 296.798 2.099 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001025987686 627992792 /nfs/dbraw/zinc/99/27/92/627992792.db2.gz AVTNPRHGNJNTGM-SEBNEYGDSA-N 0 3 262.397 2.045 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCC[C@@H]1C ZINC001026151859 628053601 /nfs/dbraw/zinc/05/36/01/628053601.db2.gz HWZVQXIHFDNGPR-LVNYTYFRSA-N 0 3 276.424 2.435 20 30 CEEDHN C[C@@H](OCC1CC1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000120257114 628222402 /nfs/dbraw/zinc/22/24/02/628222402.db2.gz HZNGONNSRBWMFB-BXUZGUMPSA-N 0 3 286.331 2.149 20 30 CEEDHN CN1CCN(Cc2cncc(C#N)c2)C[C@H]1C(C)(C)C ZINC000930881992 628295668 /nfs/dbraw/zinc/29/56/68/628295668.db2.gz BQPIMWTZJCLVDQ-HNNXBMFYSA-N 0 3 272.396 2.115 20 30 CEEDHN Cc1cc(C#N)cc(C)c1CN1CC[C@H](N2CCOC2=O)C1 ZINC000930967190 628322684 /nfs/dbraw/zinc/32/26/84/628322684.db2.gz UJENALDJFRUKHD-HNNXBMFYSA-N 0 3 299.374 2.202 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000931062549 628354037 /nfs/dbraw/zinc/35/40/37/628354037.db2.gz KWBMSZCBQZBGHU-KFWWJZLASA-N 0 3 292.423 2.195 20 30 CEEDHN CCCC(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001026645660 628467775 /nfs/dbraw/zinc/46/77/75/628467775.db2.gz VUEXIPYSMGIOPV-CQSZACIVSA-N 0 3 285.391 2.296 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001006701798 628610650 /nfs/dbraw/zinc/61/06/50/628610650.db2.gz FIWBOZNVAWQVTB-LSDHHAIUSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000894028647 629094889 /nfs/dbraw/zinc/09/48/89/629094889.db2.gz PBQJRBMYIDYTGO-UONOGXRCSA-N 0 3 267.417 2.467 20 30 CEEDHN CO[C@@H]1CC[C@H](N2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC000821396765 634710068 /nfs/dbraw/zinc/71/00/68/634710068.db2.gz VEQZIXPPLJESQA-KSZLIROESA-N 0 3 299.418 2.436 20 30 CEEDHN CC[C@H](C)N1CCN(c2cc(C)cc(C#N)n2)CC1 ZINC000894102773 629130201 /nfs/dbraw/zinc/13/02/01/629130201.db2.gz QKPNQECRXVPGNO-ZDUSSCGKSA-N 0 3 258.369 2.182 20 30 CEEDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNCC2(C#N)CC2)C1 ZINC000894203661 629207155 /nfs/dbraw/zinc/20/71/55/629207155.db2.gz HGQIGENATVHNIW-TXEJJXNPSA-N 0 3 279.384 2.183 20 30 CEEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2ncoc2CC)C1 ZINC001006959285 629273979 /nfs/dbraw/zinc/27/39/79/629273979.db2.gz QMFYASLDDRXEIP-CYBMUJFWSA-N 0 3 291.395 2.397 20 30 CEEDHN COC(=O)[C@@H]1[C@@H](CN[C@H](C)c2cccc(C#N)c2)C1(F)F ZINC000894306982 629329159 /nfs/dbraw/zinc/32/91/59/629329159.db2.gz FBEDUQIYQFBDHH-WQAKAFBOSA-N 0 3 294.301 2.263 20 30 CEEDHN C=C1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000894456255 629470662 /nfs/dbraw/zinc/47/06/62/629470662.db2.gz ORRXHELYQSTRIZ-HNNXBMFYSA-N 0 3 277.412 2.365 20 30 CEEDHN OCCN(CC#Cc1ccccc1)C1CCSCC1 ZINC000894764643 629631675 /nfs/dbraw/zinc/63/16/75/629631675.db2.gz HAWFJRBPDLEZOT-UHFFFAOYSA-N 0 3 275.417 2.228 20 30 CEEDHN C#C[C@H](NCc1ccc2[nH]c(=O)[nH]c2c1)C(C)(C)C ZINC000894784212 629641256 /nfs/dbraw/zinc/64/12/56/629641256.db2.gz IHIFZQBMJGLPPW-ZDUSSCGKSA-N 0 3 257.337 2.406 20 30 CEEDHN COc1cc(CNCCO[C@H]2CCCCO2)ccc1C#N ZINC000894796446 629645071 /nfs/dbraw/zinc/64/50/71/629645071.db2.gz ITFANSQUAIREJM-INIZCTEOSA-N 0 3 290.363 2.200 20 30 CEEDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)NCC(C)(C)CCC#N ZINC000894856628 629693726 /nfs/dbraw/zinc/69/37/26/629693726.db2.gz JUBNNKCNHHGODW-KGLIPLIRSA-N 0 3 292.427 2.194 20 30 CEEDHN C#CCCN[C@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC000796035344 629750479 /nfs/dbraw/zinc/75/04/79/629750479.db2.gz VAPUXHLWPROFFN-MRXNPFEDSA-N 0 3 275.348 2.086 20 30 CEEDHN CN(CCc1cccc(C#N)c1)c1ccncc1CO ZINC000894995726 629789537 /nfs/dbraw/zinc/78/95/37/629789537.db2.gz QIODOQSUFHLHDX-UHFFFAOYSA-N 0 3 267.332 2.124 20 30 CEEDHN C[C@]1(c2ccccc2)CCCN(CC(=O)NCCC#N)CC1 ZINC000796201622 629806183 /nfs/dbraw/zinc/80/61/83/629806183.db2.gz MEMMGXKVIHMOOV-SFHVURJKSA-N 0 3 299.418 2.460 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnc[nH]1 ZINC000895025463 629810067 /nfs/dbraw/zinc/81/00/67/629810067.db2.gz QXAQSMVMZGPURD-OAHLLOKOSA-N 0 3 252.321 2.449 20 30 CEEDHN C=CCCCN(CC)CN1C[C@@H]2CCC[C@@H]2C1=O ZINC000902668743 634775618 /nfs/dbraw/zinc/77/56/18/634775618.db2.gz FYOAAUREARJTJW-KBPBESRZSA-N 0 3 250.386 2.491 20 30 CEEDHN C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895159444 629975702 /nfs/dbraw/zinc/97/57/02/629975702.db2.gz FSDRKAPXSSQWGF-IUCAKERBSA-N 0 3 268.279 2.077 20 30 CEEDHN C[C@@H](C[NH2+][C@@H]1CCCN([O-])C1=O)C1CCCCC1 ZINC000895159091 629976045 /nfs/dbraw/zinc/97/60/45/629976045.db2.gz SGSFMZRSUWXEID-WCQYABFASA-N 0 3 254.374 2.173 20 30 CEEDHN CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895159280 629976579 /nfs/dbraw/zinc/97/65/79/629976579.db2.gz CYKJMGVEGXQNEJ-AVGNSLFASA-N 0 3 256.390 2.417 20 30 CEEDHN CCC[C@H]([NH2+][C@H]1CCCN([O-])C1=O)C1CCCC1 ZINC000895159443 629976615 /nfs/dbraw/zinc/97/66/15/629976615.db2.gz VVLSDFOERJXTAX-STQMWFEESA-N 0 3 254.374 2.315 20 30 CEEDHN CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895161906 629980428 /nfs/dbraw/zinc/98/04/28/629980428.db2.gz VNKPBWJQHGWCRT-HUUCEWRRSA-N 0 3 276.380 2.286 20 30 CEEDHN C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895162298 629982335 /nfs/dbraw/zinc/98/23/35/629982335.db2.gz YEEWYGGASBPTDJ-SMDDNHRTSA-N 0 3 280.343 2.117 20 30 CEEDHN Cc1cccc([C@@H]2CCCN2CCO[C@@H](C)C#N)n1 ZINC000801929748 634788273 /nfs/dbraw/zinc/78/82/73/634788273.db2.gz YPZNBXYOHXVLGC-ZFWWWQNUSA-N 0 3 259.353 2.456 20 30 CEEDHN N#Cc1cccc(CNC[C@H]2CCC3(CCC3)O2)n1 ZINC000895677170 630296940 /nfs/dbraw/zinc/29/69/40/630296940.db2.gz JTKYGVXHYILZGJ-CQSZACIVSA-N 0 3 257.337 2.145 20 30 CEEDHN Cc1c(Cl)cnc(N[C@@H]2CCN(C)[C@@H]2C)c1C#N ZINC000895736294 630325721 /nfs/dbraw/zinc/32/57/21/630325721.db2.gz KAUIEFPSFNZWJU-BXKDBHETSA-N 0 3 264.760 2.420 20 30 CEEDHN COc1ccc(CN[C@H]2Cc3ccc(C#N)cc3C2)o1 ZINC000895861839 630372963 /nfs/dbraw/zinc/37/29/63/630372963.db2.gz TYEGAERDHFPGRX-AWEZNQCLSA-N 0 3 268.316 2.417 20 30 CEEDHN CCN1CCCN(C(=O)C2(C#N)CCCCC2)[C@@H](C)C1 ZINC000320243627 630475313 /nfs/dbraw/zinc/47/53/13/630475313.db2.gz OIVHWCKBVSOQDA-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN C[C@H](NC[C@@H](CO)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902762258 634816035 /nfs/dbraw/zinc/81/60/35/634816035.db2.gz JTZIGFMTZUNYQG-YOEHRIQHSA-N 0 3 295.386 2.455 20 30 CEEDHN C[C@H]([NH2+]CCC(C)(C)C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585347 635457766 /nfs/dbraw/zinc/45/77/66/635457766.db2.gz QDLDDVPIBKHXDT-NSHDSACASA-N 0 3 284.367 2.457 20 30 CEEDHN C[C@H]([NH2+]CCC(C)(C)C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585347 635457769 /nfs/dbraw/zinc/45/77/69/635457769.db2.gz QDLDDVPIBKHXDT-NSHDSACASA-N 0 3 284.367 2.457 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(C)c(C#N)c1 ZINC000799626977 631053055 /nfs/dbraw/zinc/05/30/55/631053055.db2.gz LQYDEKUNTLDXNX-INIZCTEOSA-N 0 3 285.391 2.471 20 30 CEEDHN COC(=O)/C(C)=C/CN[C@@H](C)c1ccc(C#N)cc1 ZINC000223664430 631179950 /nfs/dbraw/zinc/17/99/50/631179950.db2.gz HHSQLPPMHCNMNG-OBIHZWKSSA-N 0 3 258.321 2.328 20 30 CEEDHN COC(=O)[C@H](C)[C@@H](NCCO[C@H](C)C#N)c1ccccc1 ZINC000801934865 631360370 /nfs/dbraw/zinc/36/03/70/631360370.db2.gz SFRLUWFHQVOVIK-UMVBOHGHSA-N 0 3 290.363 2.055 20 30 CEEDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1CCO[C@H](C)C#N ZINC000801935993 631361896 /nfs/dbraw/zinc/36/18/96/631361896.db2.gz NXZZTQFUZIDULT-MFKMUULPSA-N 0 3 262.357 2.092 20 30 CEEDHN COc1ccc(OC)c([C@@H](C)NCCO[C@H](C)C#N)c1 ZINC000801937540 631361981 /nfs/dbraw/zinc/36/19/81/631361981.db2.gz PLGYOMFZBLRQCZ-VXGBXAGGSA-N 0 3 278.352 2.283 20 30 CEEDHN OC1(C2(CNCC#Cc3ccccc3)CC2)CCC1 ZINC000897524646 631638967 /nfs/dbraw/zinc/63/89/67/631638967.db2.gz BKMLRXDBEWVRFS-UHFFFAOYSA-N 0 3 255.361 2.323 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCc2ccc(C)cc2C)C1 ZINC000989250982 631757541 /nfs/dbraw/zinc/75/75/41/631757541.db2.gz CTVXDHORIFHHGZ-SJLPKXTDSA-N 0 3 298.430 2.448 20 30 CEEDHN C#Cc1ccc(C(=O)N2CCCN(C)C[C@H]2CC)cc1 ZINC000897630757 631836694 /nfs/dbraw/zinc/83/66/94/631836694.db2.gz HRQFBHCAHLYQER-MRXNPFEDSA-N 0 3 270.376 2.224 20 30 CEEDHN C#Cc1ccc(C(=O)N(CC)C2CCN(C)CC2)cc1 ZINC000897897543 631966739 /nfs/dbraw/zinc/96/67/39/631966739.db2.gz YJMSHBKWMQLUFA-UHFFFAOYSA-N 0 3 270.376 2.224 20 30 CEEDHN C#Cc1ccc(C(=O)N(CCC)[C@@H]2CCN(C)C2)cc1 ZINC000898083501 632051215 /nfs/dbraw/zinc/05/12/15/632051215.db2.gz UJDBONVKJFKKNE-MRXNPFEDSA-N 0 3 270.376 2.224 20 30 CEEDHN C#CCOc1ccccc1CN(C)[C@H]1C[C@@H](OC)C1 ZINC000809692835 632129050 /nfs/dbraw/zinc/12/90/50/632129050.db2.gz IBBACWBQZBQEJV-GASCZTMLSA-N 0 3 259.349 2.308 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)c(F)c2)C1 ZINC000989475920 632181342 /nfs/dbraw/zinc/18/13/42/632181342.db2.gz GKUBAMILTXEMPJ-PWSUYJOCSA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)C2CCC(F)(F)CC2)C1 ZINC000989484575 632185247 /nfs/dbraw/zinc/18/52/47/632185247.db2.gz FOQFYHBBYMEYBU-AAEUAGOBSA-N 0 3 284.350 2.024 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001014389089 632193780 /nfs/dbraw/zinc/19/37/80/632193780.db2.gz HMLTUYQIYAEHNV-GFCCVEGCSA-N 0 3 291.395 2.352 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@@H](O)c1ccco1)CC2 ZINC000810210184 632194675 /nfs/dbraw/zinc/19/46/75/632194675.db2.gz OOGYKYJPXBUTOQ-LSDHHAIUSA-N 0 3 268.316 2.462 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C(F)F)cc2)C1 ZINC000989556953 632204931 /nfs/dbraw/zinc/20/49/31/632204931.db2.gz CDTWLNLOQACTKH-FZMZJTMJSA-N 0 3 292.329 2.450 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C(F)F)cc2)C1 ZINC000989556954 632204973 /nfs/dbraw/zinc/20/49/73/632204973.db2.gz CDTWLNLOQACTKH-RISCZKNCSA-N 0 3 292.329 2.450 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(Cl)ccc2C)C1 ZINC000989570769 632207231 /nfs/dbraw/zinc/20/72/31/632207231.db2.gz BNAFSMZKUHENCG-GXTWGEPZSA-N 0 3 290.794 2.474 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C3CC3)s2)C1 ZINC000989677778 632222543 /nfs/dbraw/zinc/22/25/43/632222543.db2.gz ZJYWJFRTCJBGGA-WCQYABFASA-N 0 3 288.416 2.451 20 30 CEEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000925325814 632274858 /nfs/dbraw/zinc/27/48/58/632274858.db2.gz SMDBMUWMGXSCPR-UONOGXRCSA-N 0 3 267.417 2.467 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccc(C)n3C)CCC[C@@H]12 ZINC000989953872 632289036 /nfs/dbraw/zinc/28/90/36/632289036.db2.gz JAKOQNBCOIVKAT-SJLPKXTDSA-N 0 3 299.418 2.084 20 30 CEEDHN C=C(Br)CNC1CCN(C(=O)C(C)C)CC1 ZINC000989964617 632292339 /nfs/dbraw/zinc/29/23/39/632292339.db2.gz QZQDDKKWAOKPHD-UHFFFAOYSA-N 0 3 289.217 2.132 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)C3C(C)(C)C3(C)C)CCC[C@H]12 ZINC000990147348 632320528 /nfs/dbraw/zinc/32/05/28/632320528.db2.gz BOQXZBJXRBOOMZ-UGSOOPFHSA-N 0 3 288.435 2.415 20 30 CEEDHN CN(C)c1ccc(C=NNC[C@H]2CCSC2)cc1 ZINC000811658585 632417693 /nfs/dbraw/zinc/41/76/93/632417693.db2.gz ZVBJSGJHPQQNSH-CYBMUJFWSA-N 0 3 263.410 2.429 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000812350388 632517211 /nfs/dbraw/zinc/51/72/11/632517211.db2.gz NSHFKXDVAINSBR-FRRDWIJNSA-N 0 3 277.368 2.030 20 30 CEEDHN CC(C)C[C@H](C#N)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000813124096 632631393 /nfs/dbraw/zinc/63/13/93/632631393.db2.gz UCIKHJIRZBELTL-DOMZBBRYSA-N 0 3 283.391 2.253 20 30 CEEDHN CN(CCO)c1ccc(C=NOCCC2CC2)cc1 ZINC000814246404 632818123 /nfs/dbraw/zinc/81/81/23/632818123.db2.gz LAFRVEVUTLBYCP-UHFFFAOYSA-N 0 3 262.353 2.266 20 30 CEEDHN N#CCCC[C@H](NCC1OCCO1)c1ccccc1 ZINC000814660700 632875414 /nfs/dbraw/zinc/87/54/14/632875414.db2.gz ZFJZCQQAUBXCDF-AWEZNQCLSA-N 0 3 260.337 2.384 20 30 CEEDHN C#CCOc1ccc(CN2CCN(C)C[C@@H]2CC)cc1 ZINC000816660676 633459237 /nfs/dbraw/zinc/45/92/37/633459237.db2.gz MDXOKZLFEZKGRJ-INIZCTEOSA-N 0 3 272.392 2.225 20 30 CEEDHN C=CCC(F)(F)C(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000816663039 633459691 /nfs/dbraw/zinc/45/96/91/633459691.db2.gz HNYWNZHDNQDVTF-NWDGAFQWSA-N 0 3 272.339 2.283 20 30 CEEDHN CCOc1ccc(N(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000818133958 633871993 /nfs/dbraw/zinc/87/19/93/633871993.db2.gz VWFJNHHONAULDF-CQSZACIVSA-N 0 3 275.352 2.069 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC000818599407 633956491 /nfs/dbraw/zinc/95/64/91/633956491.db2.gz OZCALUTZDCHWHR-AWEZNQCLSA-N 0 3 290.382 2.076 20 30 CEEDHN C[C@@H](c1ccccc1)[C@@H](O)CNCc1ccc(C#N)cn1 ZINC000819310485 634134755 /nfs/dbraw/zinc/13/47/55/634134755.db2.gz BBDZESAHXMDAHO-GUYCJALGSA-N 0 3 281.359 2.207 20 30 CEEDHN CCc1cccc(C)c1N=NC1CCN(CCO)CC1 ZINC000819813521 634269843 /nfs/dbraw/zinc/26/98/43/634269843.db2.gz PBAVEATZWQGSFC-UHFFFAOYSA-N 0 3 275.396 2.413 20 30 CEEDHN C[C@@H](N[C@@H](CO)CC(C)(C)C)c1cc(C#N)ccn1 ZINC000902880730 634875892 /nfs/dbraw/zinc/87/58/92/634875892.db2.gz BFCULKUQOALXML-DGCLKSJQSA-N 0 3 261.369 2.401 20 30 CEEDHN CC[C@H](N[C@H]1CC(=O)N(CC)C1)c1cccc(C#N)c1 ZINC000903007982 634936539 /nfs/dbraw/zinc/93/65/39/634936539.db2.gz JMYKQVSUSLRTLV-GJZGRUSLSA-N 0 3 271.364 2.220 20 30 CEEDHN CC[C@H](C)C[C@H](CO)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903037461 634941788 /nfs/dbraw/zinc/94/17/88/634941788.db2.gz KSXVVCXVMAVGPQ-SGMGOOAPSA-N 0 3 261.369 2.401 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CC[C@H](Nc2ncccn2)C1 ZINC000903022633 634945141 /nfs/dbraw/zinc/94/51/41/634945141.db2.gz JXIPMRLTYVZPSG-INIZCTEOSA-N 0 3 293.374 2.343 20 30 CEEDHN CC(C)C#CC(=O)N(CCc1ccccc1)CCN(C)C ZINC000822613781 634954286 /nfs/dbraw/zinc/95/42/86/634954286.db2.gz UHHJLDBHZOSBOU-UHFFFAOYSA-N 0 3 286.419 2.279 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC(c2ccncc2)CC1 ZINC000801950874 634983945 /nfs/dbraw/zinc/98/39/45/634983945.db2.gz PKUOQZFXCYOVSD-ZDUSSCGKSA-N 0 3 259.353 2.190 20 30 CEEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2COCC[C@H]2OC)cc1 ZINC000903299208 635046622 /nfs/dbraw/zinc/04/66/22/635046622.db2.gz HSSVUDJAJBIFCS-KBRIMQKVSA-N 0 3 289.375 2.153 20 30 CEEDHN CC(C)N1CCC[C@H]1C(=O)NCc1ccc(CC#N)cc1 ZINC000823441556 635177537 /nfs/dbraw/zinc/17/75/37/635177537.db2.gz CGYLGTTUICAISG-INIZCTEOSA-N 0 3 285.391 2.242 20 30 CEEDHN C=CC[C@H](C)[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823888710 635301505 /nfs/dbraw/zinc/30/15/05/635301505.db2.gz UMSLMCFHCDKOQT-WDEREUQCSA-N 0 3 257.341 2.482 20 30 CEEDHN C=CC[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823888710 635301514 /nfs/dbraw/zinc/30/15/14/635301514.db2.gz UMSLMCFHCDKOQT-WDEREUQCSA-N 0 3 257.341 2.482 20 30 CEEDHN CC(C)N1CCC[C@H]1C(=O)N1Cc2cccc(C#N)c2C1 ZINC000824132591 635360231 /nfs/dbraw/zinc/36/02/31/635360231.db2.gz QKADRPKEPCGBKY-INIZCTEOSA-N 0 3 283.375 2.273 20 30 CEEDHN C#CC1CCN(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000825753654 635707364 /nfs/dbraw/zinc/70/73/64/635707364.db2.gz PAJGVPNBUBGWAQ-UHFFFAOYSA-N 0 3 299.418 2.173 20 30 CEEDHN N#Cc1cscc1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000904931436 635765970 /nfs/dbraw/zinc/76/59/70/635765970.db2.gz LCFRGEVENNKHEX-OAHLLOKOSA-N 0 3 297.383 2.237 20 30 CEEDHN COCc1cccc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905080537 635796587 /nfs/dbraw/zinc/79/65/87/635796587.db2.gz MOPWSZVOEBSRGG-BNDQCTAISA-N 0 3 269.304 2.265 20 30 CEEDHN CC1/C(=C/c2ccc(N(C)C)c(F)c2)C(=O)c2ncnn21 ZINC000905082794 635798440 /nfs/dbraw/zinc/79/84/40/635798440.db2.gz XDNXYKCKZGRNGF-NJQKBMNKSA-N 0 3 286.310 2.324 20 30 CEEDHN COc1cc(C)cc(/C=C2\C(=O)c3ncnn3C2C)c1OC ZINC000905084621 635799217 /nfs/dbraw/zinc/79/92/17/635799217.db2.gz JIYQLAJBNNMDJK-BZPKPHBRSA-N 0 3 299.330 2.445 20 30 CEEDHN C#Cc1cnc(NC[C@H](c2cccc(OC)c2)N(C)C)nc1 ZINC000827300134 636285126 /nfs/dbraw/zinc/28/51/26/636285126.db2.gz XVCSYOYXFQTOPI-MRXNPFEDSA-N 0 3 296.374 2.181 20 30 CEEDHN C#C[C@H](NCc1cc2cnccc2o1)C1CCOCC1 ZINC000827554402 636352093 /nfs/dbraw/zinc/35/20/93/636352093.db2.gz DKFIBOAWYSOSIW-HNNXBMFYSA-N 0 3 270.332 2.346 20 30 CEEDHN C#C[C@@H](NCc1cccc(C#N)c1)C1CCOCC1 ZINC000827571291 636356881 /nfs/dbraw/zinc/35/68/81/636356881.db2.gz YMSQAXQDNFUPKS-MRXNPFEDSA-N 0 3 254.333 2.076 20 30 CEEDHN C#C[C@@H](NCc1cccc(OC)c1OC)C1CCOCC1 ZINC000827570777 636356950 /nfs/dbraw/zinc/35/69/50/636356950.db2.gz QHCLHTIYFQYTCG-OAHLLOKOSA-N 0 3 289.375 2.222 20 30 CEEDHN C#C[C@H](NCc1ccc(OC)c(F)c1)C1CCOCC1 ZINC000827570145 636357560 /nfs/dbraw/zinc/35/75/60/636357560.db2.gz IRCHDVPGQYRTDA-HNNXBMFYSA-N 0 3 277.339 2.352 20 30 CEEDHN C#CCN(C(=O)c1cc(F)ccc1C)C1CCN(C)CC1 ZINC000906452221 636747134 /nfs/dbraw/zinc/74/71/34/636747134.db2.gz NGWGIKLPCIYQHP-UHFFFAOYSA-N 0 3 288.366 2.304 20 30 CEEDHN C#CC1(O)CCN([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000906590336 636789029 /nfs/dbraw/zinc/78/90/29/636789029.db2.gz PIGJSSVQRAEMEI-GJZGRUSLSA-N 0 3 259.324 2.142 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000829506221 636869816 /nfs/dbraw/zinc/86/98/16/636869816.db2.gz WGIYDAZFLIWWAC-IIYDPXPESA-N 0 3 297.402 2.014 20 30 CEEDHN C#CC[C@H]1CCCN(CC(=O)N(CC(C)C)C2CC2)C1 ZINC000829783725 636928954 /nfs/dbraw/zinc/92/89/54/636928954.db2.gz BDYXZUQTLFMIEM-HNNXBMFYSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CC1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000830321353 637034952 /nfs/dbraw/zinc/03/49/52/637034952.db2.gz HMANCBMWYWMYEY-UHFFFAOYSA-N 0 3 270.376 2.234 20 30 CEEDHN N#CC1(CNC(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000907937821 637172190 /nfs/dbraw/zinc/17/21/90/637172190.db2.gz CPGAUQGHJOQCBB-UHFFFAOYSA-N 0 3 282.347 2.324 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000876551755 650321975 /nfs/dbraw/zinc/32/19/75/650321975.db2.gz VTBVYCFYAJPIRG-LLVKDONJSA-N 0 3 296.754 2.190 20 30 CEEDHN COC1CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876554114 650322652 /nfs/dbraw/zinc/32/26/52/650322652.db2.gz CKGXMPBYLKPTSY-UHFFFAOYSA-N 0 3 273.380 2.235 20 30 CEEDHN C=CCN(C(=O)c1ccnn1CCN(C)C)c1ccccc1 ZINC000908267621 637279515 /nfs/dbraw/zinc/27/95/15/637279515.db2.gz FXRFSBSZVZPDRV-UHFFFAOYSA-N 0 3 298.390 2.278 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC000908436180 637343862 /nfs/dbraw/zinc/34/38/62/637343862.db2.gz CSPMSYIWAVSHMU-FUHWJXTLSA-N 0 3 284.403 2.036 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)c1ccccc1 ZINC000876561381 650328522 /nfs/dbraw/zinc/32/85/22/650328522.db2.gz IZSQIGIEQUURGM-GXFFZTMASA-N 0 3 266.772 2.376 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NC1CCCCCCC1 ZINC000831674065 637406227 /nfs/dbraw/zinc/40/62/27/637406227.db2.gz GVFJSYLTWBKDEB-CABCVRRESA-N 0 3 280.412 2.149 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCOc1cccc(C)c1 ZINC000876567781 650334630 /nfs/dbraw/zinc/33/46/30/650334630.db2.gz DZRZGJRLUOKXBA-AWEZNQCLSA-N 0 3 296.798 2.350 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCOc1cccc(C)c1 ZINC000876568501 650334677 /nfs/dbraw/zinc/33/46/77/650334677.db2.gz INRGQOQMDFAWMJ-CQSZACIVSA-N 0 3 296.798 2.302 20 30 CEEDHN CC[C@@H]1CN(CC)CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000831965264 637471028 /nfs/dbraw/zinc/47/10/28/637471028.db2.gz UYGRVGSAHVWYEA-IAGOWNOFSA-N 0 3 287.407 2.008 20 30 CEEDHN CC(C)C#CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000832238745 637524995 /nfs/dbraw/zinc/52/49/95/637524995.db2.gz ZBCLMMMJCYPCOP-WBVHZDCISA-N 0 3 284.403 2.283 20 30 CEEDHN CC(C)N1CCC[C@H](NC(=O)c2cc(C#N)ccc2F)C1 ZINC000832297870 637537522 /nfs/dbraw/zinc/53/75/22/637537522.db2.gz WGFRXTLNHCGGMN-ZDUSSCGKSA-N 0 3 289.354 2.300 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000876621538 650363988 /nfs/dbraw/zinc/36/39/88/650363988.db2.gz BDRLBBIPFKWNQA-RWMBFGLXSA-N 0 3 282.746 2.268 20 30 CEEDHN CCCC[C@@H](ON=C(C)C)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000834310149 637773259 /nfs/dbraw/zinc/77/32/59/637773259.db2.gz FWRIYUZXHGUQCM-RRFJBIMHSA-N 0 3 295.427 2.120 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1cc(F)cc(F)c1 ZINC000876629233 650366629 /nfs/dbraw/zinc/36/66/29/650366629.db2.gz FFCDPXFJRCBIEJ-LBPRGKRZSA-N 0 3 288.725 2.093 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(OC)c(C)c1 ZINC000876639644 650370765 /nfs/dbraw/zinc/37/07/65/650370765.db2.gz VRSPPANEWMIZGK-ZDUSSCGKSA-N 0 3 296.798 2.432 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1COc2c1ccc(C)c2C ZINC000876647328 650373832 /nfs/dbraw/zinc/37/38/32/650373832.db2.gz JGBBSIKYEAIHAA-QWHCGFSZSA-N 0 3 294.782 2.323 20 30 CEEDHN CC(C)(C)C(=O)CCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000835058462 638043805 /nfs/dbraw/zinc/04/38/05/638043805.db2.gz OQFMEQTVRSDOIN-GFCCVEGCSA-N 0 3 292.379 2.103 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@](C)(CC)C1 ZINC000876666403 650388384 /nfs/dbraw/zinc/38/83/84/650388384.db2.gz QVFIFNVREDONIE-AAEUAGOBSA-N 0 3 258.793 2.495 20 30 CEEDHN C[C@H](OCCc1ccccc1)C(=O)C(C#N)c1ccncn1 ZINC000835304622 638179448 /nfs/dbraw/zinc/17/94/48/638179448.db2.gz WCHPIOXHGCTQHG-ZFWWWQNUSA-N 0 3 295.342 2.301 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCc1cccs1 ZINC000876686376 650398963 /nfs/dbraw/zinc/39/89/63/650398963.db2.gz WLKMIBXXCPZELR-LLVKDONJSA-N 0 3 272.801 2.219 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccc(F)cc1C ZINC000876695712 650404133 /nfs/dbraw/zinc/40/41/33/650404133.db2.gz FYZAPCYCRIGQQK-ZDUSSCGKSA-N 0 3 284.762 2.263 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccsn3)CCC[C@H]12 ZINC000991301553 638240159 /nfs/dbraw/zinc/24/01/59/638240159.db2.gz QSVAEKJBTPXUPN-JSGCOSHPSA-N 0 3 277.393 2.056 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC000876702772 650406287 /nfs/dbraw/zinc/40/62/87/650406287.db2.gz FCFSBYNEAGXPKK-NEPJUHHUSA-N 0 3 288.819 2.168 20 30 CEEDHN C#CCO[C@@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000835456158 638262898 /nfs/dbraw/zinc/26/28/98/638262898.db2.gz SFPXVMMASWJXKW-GXSJLCMTSA-N 0 3 296.248 2.315 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000876706309 650407224 /nfs/dbraw/zinc/40/72/24/650407224.db2.gz NRPFBFWGYUTNDO-NSHDSACASA-N 0 3 298.818 2.417 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1nc(C)cs1 ZINC000876752660 650420059 /nfs/dbraw/zinc/42/00/59/650420059.db2.gz VYFPCZARSGYKFY-RKDXNWHRSA-N 0 3 273.789 2.099 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000876752659 650420238 /nfs/dbraw/zinc/42/02/38/650420238.db2.gz VYFPCZARSGYKFY-IUCAKERBSA-N 0 3 273.789 2.099 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CCc2ccccc2C1 ZINC000911895929 638459936 /nfs/dbraw/zinc/45/99/36/638459936.db2.gz YPCMYJDCPNLOML-OAHLLOKOSA-N 0 3 258.365 2.255 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](N)C1CCCCCC1 ZINC000911918930 638465817 /nfs/dbraw/zinc/46/58/17/638465817.db2.gz JJHJHPFAJUCPKT-AWEZNQCLSA-N 0 3 250.386 2.485 20 30 CEEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccn(C)n1 ZINC000912123805 638566487 /nfs/dbraw/zinc/56/64/87/638566487.db2.gz JPJOZSDBARCZTK-LBPRGKRZSA-N 0 3 266.389 2.437 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)C[C@@H](C)CC ZINC000836329920 638601695 /nfs/dbraw/zinc/60/16/95/638601695.db2.gz XKCGPRMLVXKHRO-KBPBESRZSA-N 0 3 267.417 2.065 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCCCC1(C)C ZINC000836356811 638609396 /nfs/dbraw/zinc/60/93/96/638609396.db2.gz DXHUVTVHSGNJRJ-CQSZACIVSA-N 0 3 279.428 2.210 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCC1CCC(C)CC1 ZINC000836487548 638647701 /nfs/dbraw/zinc/64/77/01/638647701.db2.gz HGKQUJBIXMDEGS-UHFFFAOYSA-N 0 3 279.428 2.067 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(OCC)cc1 ZINC000912320764 638649962 /nfs/dbraw/zinc/64/99/62/638649962.db2.gz IGTOUAZFKXFBML-OAHLLOKOSA-N 0 3 276.380 2.385 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N([C@H](C)C(C)C)C1CC1 ZINC000876874243 650468148 /nfs/dbraw/zinc/46/81/48/650468148.db2.gz BFUBRTKOILGVEO-ZYHUDNBSSA-N 0 3 258.793 2.492 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)c1cccnc1 ZINC000876876815 650468707 /nfs/dbraw/zinc/46/87/07/650468707.db2.gz VHFAYXAQISMKQZ-ZYHUDNBSSA-N 0 3 267.760 2.071 20 30 CEEDHN N#Cc1cccc(CNC[C@@H]2COc3ccccc3C2)n1 ZINC000876876343 650468720 /nfs/dbraw/zinc/46/87/20/650468720.db2.gz OMZCMCKLBQPFCE-CYBMUJFWSA-N 0 3 279.343 2.294 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2cc(C)ccc21 ZINC000876883989 650473053 /nfs/dbraw/zinc/47/30/53/650473053.db2.gz DYRSQRPUJNQESP-LBPRGKRZSA-N 0 3 264.756 2.354 20 30 CEEDHN N#Cc1sccc1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000913158352 639206741 /nfs/dbraw/zinc/20/67/41/639206741.db2.gz AMEPZFPXNLNWLG-GFCCVEGCSA-N 0 3 289.404 2.366 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H](CCOC)C1 ZINC000876907220 650481615 /nfs/dbraw/zinc/48/16/15/650481615.db2.gz CKHFANWBWLPJGZ-STQMWFEESA-N 0 3 288.819 2.122 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@H]1c1ccccc1C ZINC000876946593 650500759 /nfs/dbraw/zinc/50/07/59/650500759.db2.gz MPOVQHUGYNGFNK-MELADBBJSA-N 0 3 278.783 2.437 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2ccc(C)cc2C1 ZINC000876961978 650508296 /nfs/dbraw/zinc/50/82/96/650508296.db2.gz MXVHSCNOSJLFLV-CQSZACIVSA-N 0 3 278.783 2.350 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cc(C)cc(C)c1 ZINC000876963934 650509474 /nfs/dbraw/zinc/50/94/74/650509474.db2.gz LOBYRGOFPSLLDE-ZDUSSCGKSA-N 0 3 266.772 2.390 20 30 CEEDHN C=CCCCN(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000076736730 639602474 /nfs/dbraw/zinc/60/24/74/639602474.db2.gz SCIFEBWYSBKMDE-UHFFFAOYSA-N 0 3 289.423 2.267 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)CCOC2 ZINC000876970590 650512048 /nfs/dbraw/zinc/51/20/48/650512048.db2.gz VOUDZDIGDYKJBZ-CYBMUJFWSA-N 0 3 280.755 2.168 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001014936914 639689337 /nfs/dbraw/zinc/68/93/37/639689337.db2.gz ATOWYVNBHKPQCB-SOUVJXGZSA-N 0 3 288.416 2.065 20 30 CEEDHN CCS[C@H](C(=O)C(C#N)C(=O)N1CCCC1)C(C)C ZINC000171363591 639716062 /nfs/dbraw/zinc/71/60/62/639716062.db2.gz ULARBYFWJIKUJB-AAEUAGOBSA-N 0 3 282.409 2.095 20 30 CEEDHN OC[C@H]1CCCN1N=Cc1ccc(N2CCCCC2)cc1 ZINC000841661478 639828172 /nfs/dbraw/zinc/82/81/72/639828172.db2.gz HVDQSHGUSQWNMO-QGZVFWFLSA-N 0 3 287.407 2.468 20 30 CEEDHN CCCCCCC[C@H](C)CNC(=O)NC[C@@H]1CNCCO1 ZINC000841723034 639850224 /nfs/dbraw/zinc/85/02/24/639850224.db2.gz HHUDBPJSYVLTLS-GJZGRUSLSA-N 0 3 299.459 2.271 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H]3CC=CCC3)CCC[C@H]12 ZINC000992121232 639966583 /nfs/dbraw/zinc/96/65/83/639966583.db2.gz SNXZLCOKQODMHG-SOLBZPMBSA-N 0 3 286.419 2.479 20 30 CEEDHN C[C@](O)(CNCc1cccc(C#N)n1)c1cccs1 ZINC000877050045 650547893 /nfs/dbraw/zinc/54/78/93/650547893.db2.gz YEJRJOYKLSWWQC-AWEZNQCLSA-N 0 3 273.361 2.012 20 30 CEEDHN CC(C)(CCO)CNCc1cc(C#N)cnc1Cl ZINC000877063688 650555499 /nfs/dbraw/zinc/55/54/99/650555499.db2.gz HYPUVKWXZHGPDS-UHFFFAOYSA-N 0 3 267.760 2.105 20 30 CEEDHN CO[C@@H](CNCc1cc(C#N)ccc1F)C1CCOCC1 ZINC000877067017 650557619 /nfs/dbraw/zinc/55/76/19/650557619.db2.gz ACVNZIRIFBIKJY-INIZCTEOSA-N 0 3 292.354 2.229 20 30 CEEDHN C#CCN(C(=O)NC[C@@H]1CC=CCC1)C1CCN(C)CC1 ZINC000914414832 640347802 /nfs/dbraw/zinc/34/78/02/640347802.db2.gz FEJLRDPHOJOUIU-OAHLLOKOSA-N 0 3 289.423 2.082 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C)cc(O)c1 ZINC000877088532 650566602 /nfs/dbraw/zinc/56/66/02/650566602.db2.gz GOUAOMXFLRBXMV-LLVKDONJSA-N 0 3 254.717 2.109 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(F)c2)[C@H]1C ZINC000992985726 640393650 /nfs/dbraw/zinc/39/36/50/640393650.db2.gz BZLFOMQDZOBJPP-CJNGLKHVSA-N 0 3 288.366 2.432 20 30 CEEDHN CN1CCCc2cc(C=NOC[C@@H]3CCOC3)ccc21 ZINC000788033586 640492507 /nfs/dbraw/zinc/49/25/07/640492507.db2.gz JMKRZAMMGWROSM-CQSZACIVSA-N 0 3 274.364 2.456 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C2CC(F)(F)C2)[C@H]1C ZINC000993197358 640542502 /nfs/dbraw/zinc/54/25/02/640542502.db2.gz GVLQEQCTWKZLLB-YPMHNXCESA-N 0 3 284.350 2.024 20 30 CEEDHN C#C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)c1ccccc1 ZINC000843968057 640567207 /nfs/dbraw/zinc/56/72/07/640567207.db2.gz RWUCZUMKJJPSIK-CABCVRRESA-N 0 3 258.365 2.063 20 30 CEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccncc2C)[C@@H]1C ZINC000993320574 640600655 /nfs/dbraw/zinc/60/06/55/640600655.db2.gz XZMRIOSNWKBBOG-GOEBONIOSA-N 0 3 287.407 2.088 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccn2CC=C)[C@H]1C ZINC000993448766 640648004 /nfs/dbraw/zinc/64/80/04/640648004.db2.gz RCEAREZQWJMIGF-CVEARBPZSA-N 0 3 299.418 2.280 20 30 CEEDHN C=C[C@H](C)ONC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000844283786 640657251 /nfs/dbraw/zinc/65/72/51/640657251.db2.gz GONGBLSEBNJZAM-DZGCQCFKSA-N 0 3 289.379 2.066 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@H]1C ZINC000993795474 640681494 /nfs/dbraw/zinc/68/14/94/640681494.db2.gz XSDAUVOOXSQRJQ-HUUCEWRRSA-N 0 3 274.408 2.335 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2[nH]c(C)nc2C)[C@H]1C ZINC000993856890 640683653 /nfs/dbraw/zinc/68/36/53/640683653.db2.gz PJNQYARVLOXQRX-TZMCWYRMSA-N 0 3 290.411 2.185 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2nccs2)[C@@H]1C ZINC000994064487 640692795 /nfs/dbraw/zinc/69/27/95/640692795.db2.gz VZWKSBOIRUGLGE-RYUDHWBXSA-N 0 3 279.409 2.302 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN(CC(=C)C)[C@H]2C)nc1 ZINC000994242408 640716325 /nfs/dbraw/zinc/71/63/25/640716325.db2.gz QHSIYZPFYYQURT-HOCLYGCPSA-N 0 3 297.402 2.222 20 30 CEEDHN C[C@H](C#N)OCCN1CCC(Cc2nccs2)CC1 ZINC000879208354 651260265 /nfs/dbraw/zinc/26/02/65/651260265.db2.gz UCZKFUISJIHZBL-GFCCVEGCSA-N 0 3 279.409 2.326 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C(C)(C)C)[C@@H]1C ZINC000994266866 640793978 /nfs/dbraw/zinc/79/39/78/640793978.db2.gz VYTCUCCNFKXECU-STQMWFEESA-N 0 3 250.386 2.025 20 30 CEEDHN C[C@H](O)[C@H]1CCCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877170540 650608196 /nfs/dbraw/zinc/60/81/96/650608196.db2.gz QBGYFQNKPAYPQO-ZFWWWQNUSA-N 0 3 287.407 2.217 20 30 CEEDHN C=CCN1CCC[C@H](NC(=O)Cc2csc(C)n2)[C@H]1C ZINC000994366449 640811992 /nfs/dbraw/zinc/81/19/92/640811992.db2.gz QVIQSLZDLZQWKA-RISCZKNCSA-N 0 3 293.436 2.149 20 30 CEEDHN C=CCN1CCC[C@H](NC(=O)Cc2csc(C)n2)[C@@H]1C ZINC000994366448 640812513 /nfs/dbraw/zinc/81/25/13/640812513.db2.gz QVIQSLZDLZQWKA-FZMZJTMJSA-N 0 3 293.436 2.149 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccn2CC)[C@H]1C ZINC000994417239 640831757 /nfs/dbraw/zinc/83/17/57/640831757.db2.gz CUKYHEWORUXTTE-HUUCEWRRSA-N 0 3 287.407 2.114 20 30 CEEDHN C=CCNC(=S)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000919717434 641070963 /nfs/dbraw/zinc/07/09/63/641070963.db2.gz HLFAQRFAFHTVSK-UKRRQHHQSA-N 0 3 289.448 2.472 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccnn1CC1CCC1 ZINC000877221758 650630748 /nfs/dbraw/zinc/63/07/48/650630748.db2.gz TUAKZLMUUQXVOZ-NSHDSACASA-N 0 3 282.775 2.092 20 30 CEEDHN CCOC(=O)[C@@](C)(NC(=O)C(C#N)CC)c1ccccc1 ZINC000925477264 641110902 /nfs/dbraw/zinc/11/09/02/641110902.db2.gz YVKURZCGNKEWAZ-WBMJQRKESA-N 0 3 288.347 2.131 20 30 CEEDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)c1cccc(C#N)c1 ZINC000920996531 641216446 /nfs/dbraw/zinc/21/64/46/641216446.db2.gz IUHPLESNZUNYMZ-YWPYICTPSA-N 0 3 286.379 2.011 20 30 CEEDHN C=CCNC(=S)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000921268262 641242291 /nfs/dbraw/zinc/24/22/91/641242291.db2.gz HSJNXCWDSDBGIW-AWEZNQCLSA-N 0 3 277.437 2.248 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cncc(C(F)F)c1 ZINC000877288859 650658529 /nfs/dbraw/zinc/65/85/29/650658529.db2.gz NJLBHMKZZDEFSD-SECBINFHSA-N 0 3 275.686 2.428 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N(C)C)c(F)c1 ZINC000877290956 650659423 /nfs/dbraw/zinc/65/94/23/650659423.db2.gz PATMKLGDJBMQSP-LLVKDONJSA-N 0 3 285.750 2.300 20 30 CEEDHN C#C[C@@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000847023665 641530784 /nfs/dbraw/zinc/53/07/84/641530784.db2.gz NQDPVGWANJTKRD-CQSZACIVSA-N 0 3 254.333 2.282 20 30 CEEDHN C#C[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000847264609 641621411 /nfs/dbraw/zinc/62/14/11/641621411.db2.gz YTASILMQTSPKLG-DOTOQJQBSA-N 0 3 299.418 2.344 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)C1CC1 ZINC000941709132 641740022 /nfs/dbraw/zinc/74/00/22/641740022.db2.gz MYOSHDNWJRAHQL-CXAGYDPISA-N 0 3 297.402 2.295 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccnc(F)c2F)CC1 ZINC000194271516 641850476 /nfs/dbraw/zinc/85/04/76/641850476.db2.gz JPNJBGNEHHJXMZ-UHFFFAOYSA-N 0 3 295.333 2.130 20 30 CEEDHN CCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C(C)(C)C1 ZINC000995286991 641870024 /nfs/dbraw/zinc/87/00/24/641870024.db2.gz KDEGGBHOKIPJHV-CYBMUJFWSA-N 0 3 291.420 2.356 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC000848065041 641883496 /nfs/dbraw/zinc/88/34/96/641883496.db2.gz AIBXKVLMISFZIK-DOTOQJQBSA-N 0 3 284.403 2.079 20 30 CEEDHN C=C(Cl)COC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885472096 641922644 /nfs/dbraw/zinc/92/26/44/641922644.db2.gz FDBGHUQVKZAKQM-JTQLQIEISA-N 0 3 273.760 2.319 20 30 CEEDHN CC(C)(C)C#CC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000848351747 641966646 /nfs/dbraw/zinc/96/66/46/641966646.db2.gz GVBQJCNCMVSCNV-KGLIPLIRSA-N 0 3 262.397 2.169 20 30 CEEDHN Fc1cnc(N=NC2CCCN3CCCC[C@H]23)nc1 ZINC000848407741 641980731 /nfs/dbraw/zinc/98/07/31/641980731.db2.gz SVECDTOTFINJSX-GFCCVEGCSA-N 0 3 263.320 2.032 20 30 CEEDHN Cc1ccc(C[C@H]2CCCN2CC(=O)NCCC#N)cc1 ZINC000733311926 641990706 /nfs/dbraw/zinc/99/07/06/641990706.db2.gz YZQQHKDODYBQLX-MRXNPFEDSA-N 0 3 285.391 2.032 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC000848459667 642003163 /nfs/dbraw/zinc/00/31/63/642003163.db2.gz SDFDMPOSUKLLKD-CYBMUJFWSA-N 0 3 297.362 2.426 20 30 CEEDHN CO[C@H](CNCc1ccc(C#N)cn1)Cc1ccccc1 ZINC000877459603 650727813 /nfs/dbraw/zinc/72/78/13/650727813.db2.gz LOLDLEJYPVPALD-KRWDZBQOSA-N 0 3 281.359 2.301 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(/C=C/C(=O)OC)o1 ZINC000848915359 642188409 /nfs/dbraw/zinc/18/84/09/642188409.db2.gz GVWONWTWRYFGKF-PQAPVRDISA-N 0 3 291.347 2.289 20 30 CEEDHN C[C@H](C(=O)N[C@H](C#N)C1CCCC1)N1[C@H](C)CC[C@@H]1C ZINC000921544366 642218837 /nfs/dbraw/zinc/21/88/37/642218837.db2.gz RDSFDZQWFYTIBT-QVHKTLOISA-N 0 3 277.412 2.446 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(F)s2)CC1 ZINC000997443380 642263798 /nfs/dbraw/zinc/26/37/98/642263798.db2.gz QWRJDGDIJOGGPF-LLVKDONJSA-N 0 3 294.395 2.351 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc(C)c(C)o2)CC1 ZINC000997536991 642293675 /nfs/dbraw/zinc/29/36/75/642293675.db2.gz UKGUTELYTDNQMZ-ZDUSSCGKSA-N 0 3 288.391 2.360 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=S)NC2CCN(C)CC2)C1 ZINC000849279589 642311756 /nfs/dbraw/zinc/31/17/56/642311756.db2.gz ASHNCBPMEYGCLD-CYBMUJFWSA-N 0 3 281.469 2.243 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc[nH]c2C2CC2)CC1 ZINC000997736878 642319690 /nfs/dbraw/zinc/31/96/90/642319690.db2.gz XZSIRRFPNSBXND-ZDUSSCGKSA-N 0 3 299.418 2.356 20 30 CEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccncc2C)CC1 ZINC000998002220 642354694 /nfs/dbraw/zinc/35/46/94/642354694.db2.gz YNZHFBKFEPIARH-MRXNPFEDSA-N 0 3 299.418 2.340 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCc3ccccc3OC2)n1 ZINC000877502928 650754753 /nfs/dbraw/zinc/75/47/53/650754753.db2.gz WKMLEKDLJXTGPJ-MRXNPFEDSA-N 0 3 279.343 2.437 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cnoc2CC)C1 ZINC000999490899 642494272 /nfs/dbraw/zinc/49/42/72/642494272.db2.gz PBMDIWWJNXUBIR-UHFFFAOYSA-N 0 3 297.786 2.182 20 30 CEEDHN Cc1ccc([C@@H](O)[C@@H](C)NCc2cccc(C#N)n2)cc1 ZINC000877516853 650761062 /nfs/dbraw/zinc/76/10/62/650761062.db2.gz FJFSOTHXNHHHQY-DYVFJYSZSA-N 0 3 281.359 2.473 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2cc(C3CC3)on2)CC1 ZINC001001015350 642675792 /nfs/dbraw/zinc/67/57/92/642675792.db2.gz XFGYZLZFNOWKBA-UHFFFAOYSA-N 0 3 287.363 2.100 20 30 CEEDHN CC#CCN1CCC(CNC(=O)c2ccc(F)cc2)CC1 ZINC001001105988 642685917 /nfs/dbraw/zinc/68/59/17/642685917.db2.gz IAIYSPITLBKWMX-UHFFFAOYSA-N 0 3 288.366 2.291 20 30 CEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCc3cccnc32)CC1 ZINC001001090187 642687373 /nfs/dbraw/zinc/68/73/73/642687373.db2.gz SZUATKNAIRLPCO-MRXNPFEDSA-N 0 3 297.402 2.046 20 30 CEEDHN C#CCOc1ccccc1CN[C@H]1C[C@H](O)C12CCC2 ZINC000850388170 642695513 /nfs/dbraw/zinc/69/55/13/642695513.db2.gz IYMDGLZPDSGUOQ-HOTGVXAUSA-N 0 3 271.360 2.092 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2ccccc2CC)CC1 ZINC001001772620 642735664 /nfs/dbraw/zinc/73/56/64/642735664.db2.gz MNBHCNNMCGAWEI-UHFFFAOYSA-N 0 3 284.403 2.324 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)Cc1ccco1 ZINC000850752332 642773854 /nfs/dbraw/zinc/77/38/54/642773854.db2.gz NODNKWZUKSCKQK-TZMCWYRMSA-N 0 3 290.363 2.473 20 30 CEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](C)CC#N ZINC000850758571 642776210 /nfs/dbraw/zinc/77/62/10/642776210.db2.gz GZRLFEAPWSOBSO-NWDGAFQWSA-N 0 3 299.330 2.282 20 30 CEEDHN CO[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1)C1CCC1 ZINC000850760743 642776923 /nfs/dbraw/zinc/77/69/23/642776923.db2.gz WPTAHJWQRAJWTO-HIFRSBDPSA-N 0 3 286.331 2.149 20 30 CEEDHN C[C@@H]1CN(Cc2cc(C#N)ccc2N(C)C)C[C@H](C)N1C ZINC000877552789 650784380 /nfs/dbraw/zinc/78/43/80/650784380.db2.gz TXAWHGYPRQLGKA-OKILXGFUSA-N 0 3 286.423 2.149 20 30 CEEDHN C#CCN(C(=O)N(C)C1CCCC1)C1CCN(C)CC1 ZINC000922023485 642846192 /nfs/dbraw/zinc/84/61/92/642846192.db2.gz UPAQMIKGKGYDPN-UHFFFAOYSA-N 0 3 277.412 2.010 20 30 CEEDHN Cc1cc(C#N)cc(C)c1CNC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000922226416 642968922 /nfs/dbraw/zinc/96/89/22/642968922.db2.gz JUSXKHZQJSROIB-OAHLLOKOSA-N 0 3 299.374 2.248 20 30 CEEDHN C#CCN(C(=O)NC[C@H]1N(C)CCCC1(C)C)C(C)C ZINC000922259454 642988418 /nfs/dbraw/zinc/98/84/18/642988418.db2.gz ZBVKJEAJKBTLJI-CQSZACIVSA-N 0 3 279.428 2.160 20 30 CEEDHN C#CC1(NCc2cccc(C(=O)N(C)C)c2)CCCC1 ZINC000922335697 643034268 /nfs/dbraw/zinc/03/42/68/643034268.db2.gz SQZYQOWTOFMMDR-UHFFFAOYSA-N 0 3 270.376 2.424 20 30 CEEDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NCc1csc(C#N)c1 ZINC000922339168 643038413 /nfs/dbraw/zinc/03/84/13/643038413.db2.gz RANOKOXUOQBUQP-TZMCWYRMSA-N 0 3 291.420 2.403 20 30 CEEDHN C#CCOCCN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000851751133 643146201 /nfs/dbraw/zinc/14/62/01/643146201.db2.gz OGUGDVSQZPXOSM-CQSZACIVSA-N 0 3 273.332 2.202 20 30 CEEDHN CN(C)[C@H](CCNCc1ccc(C#N)o1)C(F)(F)F ZINC000922751632 643240725 /nfs/dbraw/zinc/24/07/25/643240725.db2.gz HCRKXDLDRHVGEH-LLVKDONJSA-N 0 3 275.274 2.123 20 30 CEEDHN C[C@H]1C[C@H](NCc2nc(C#N)cs2)CCS1 ZINC000922838806 643290708 /nfs/dbraw/zinc/29/07/08/643290708.db2.gz OEDQWBFMLYZFOZ-DTWKUNHWSA-N 0 3 253.396 2.388 20 30 CEEDHN C#C[C@@](C)(CC)NCC(=O)N(C)Cc1cccs1 ZINC000852097498 643300649 /nfs/dbraw/zinc/30/06/49/643300649.db2.gz QAAXACLYMMMUSJ-AWEZNQCLSA-N 0 3 264.394 2.098 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)N(C)[C@H](C)CC(C)C ZINC000852101755 643305869 /nfs/dbraw/zinc/30/58/69/643305869.db2.gz IFRHTQIXPKCSPO-UKRRQHHQSA-N 0 3 252.402 2.271 20 30 CEEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1F ZINC000852102892 643307436 /nfs/dbraw/zinc/30/74/36/643307436.db2.gz SKNSOLCGGLYRJO-MLGOLLRUSA-N 0 3 276.355 2.222 20 30 CEEDHN C#CCOCCN1C[C@@H](C)OC2(CCCCC2)C1 ZINC000852218810 643358154 /nfs/dbraw/zinc/35/81/54/643358154.db2.gz MSDHLMNKVRYKGU-CQSZACIVSA-N 0 3 251.370 2.060 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC2=C(CCC(=O)N2)C1 ZINC000852299098 643384807 /nfs/dbraw/zinc/38/48/07/643384807.db2.gz OVUVPAJNGTYQQU-GFCCVEGCSA-N 0 3 281.359 2.489 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cc(Cl)c[nH]2)CC1 ZINC001005104090 643387608 /nfs/dbraw/zinc/38/76/08/643387608.db2.gz PJCUIBNSZNKHDP-UHFFFAOYSA-N 0 3 281.787 2.391 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cc(C)sn2)CC1 ZINC001005322640 643403266 /nfs/dbraw/zinc/40/32/66/643403266.db2.gz FLHNTIUEOPZECN-UHFFFAOYSA-N 0 3 279.409 2.174 20 30 CEEDHN C=CCN(C[C@@H](O)c1ccc(C#N)cc1)[C@H](C)COC ZINC000852358343 643407316 /nfs/dbraw/zinc/40/73/16/643407316.db2.gz QMKGVZRTLHVFHU-CZUORRHYSA-N 0 3 274.364 2.115 20 30 CEEDHN C=CCCn1cc(CN[C@H](C2CC2)[C@H]2CCCOC2)nn1 ZINC000922894413 643412712 /nfs/dbraw/zinc/41/27/12/643412712.db2.gz CKJUTEAGSGFHHT-GOEBONIOSA-N 0 3 290.411 2.149 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cnc3cc[nH]c3c2)CC1 ZINC001005566396 643420479 /nfs/dbraw/zinc/42/04/79/643420479.db2.gz XTOZBWCVMVEUGO-UHFFFAOYSA-N 0 3 298.390 2.285 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2c[nH]nc2CCC)CC1 ZINC001005641448 643427358 /nfs/dbraw/zinc/42/73/58/643427358.db2.gz ASMVXQOYUKECKY-UHFFFAOYSA-N 0 3 290.411 2.085 20 30 CEEDHN N#CC(C(=O)C=Cc1ccc[nH]1)c1nnc2n1CCCCC2 ZINC000788081814 643429553 /nfs/dbraw/zinc/42/95/53/643429553.db2.gz UPHPDHREDWPABI-MEJMFZKBSA-N 0 3 295.346 2.222 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001005741740 643435050 /nfs/dbraw/zinc/43/50/50/643435050.db2.gz OMQBPPXRBDJBQI-CZUORRHYSA-N 0 3 262.397 2.285 20 30 CEEDHN C#CCC1(NCc2cc(Br)nn2C)CCC1 ZINC000922998798 643505298 /nfs/dbraw/zinc/50/52/98/643505298.db2.gz YNNWOFMUKHUFBD-UHFFFAOYSA-N 0 3 282.185 2.218 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN2CCC(c3ccon3)CC2)cc1 ZINC000852672759 643507455 /nfs/dbraw/zinc/50/74/55/643507455.db2.gz IROBBXUXRMFZQT-KRWDZBQOSA-N 0 3 297.358 2.459 20 30 CEEDHN N#Cc1ccc(CN[C@]23C[C@H]2COC32CCC2)cc1F ZINC000923032273 643521851 /nfs/dbraw/zinc/52/18/51/643521851.db2.gz ZHSJWOISMREFIZ-XJKSGUPXSA-N 0 3 272.323 2.499 20 30 CEEDHN C#CCCN(CCOC)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000852748872 643533441 /nfs/dbraw/zinc/53/34/41/643533441.db2.gz JKAANWPARKCALF-HNNXBMFYSA-N 0 3 299.773 2.484 20 30 CEEDHN N#CCC[C@H](C#N)CNCCC1SCCS1 ZINC000853082688 643646235 /nfs/dbraw/zinc/64/62/35/643646235.db2.gz UFSVDKZIQHJTAL-SNVBAGLBSA-N 0 3 255.412 2.216 20 30 CEEDHN C#Cc1ccc(C(=O)N(C)C2CCN(CC(=C)C)CC2)nc1 ZINC001006303182 643808128 /nfs/dbraw/zinc/80/81/28/643808128.db2.gz NIMIEOXPYWNLAR-UHFFFAOYSA-N 0 3 297.402 2.175 20 30 CEEDHN C#Cc1cccc(NC(=O)N(CC)[C@H]2CCN(C)C2)c1 ZINC000854262984 644026215 /nfs/dbraw/zinc/02/62/15/644026215.db2.gz QKPLDVKFVNTUEX-HNNXBMFYSA-N 0 3 271.364 2.226 20 30 CEEDHN CC(C)C#CC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000854470040 644064611 /nfs/dbraw/zinc/06/46/11/644064611.db2.gz DITCEDVSBVOCBO-HNNXBMFYSA-N 0 3 276.355 2.204 20 30 CEEDHN CC1(CN2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000877745440 650892112 /nfs/dbraw/zinc/89/21/12/650892112.db2.gz UZKXJNXFPLWGDJ-UHFFFAOYSA-N 0 3 255.365 2.480 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)SC ZINC000103329689 644187260 /nfs/dbraw/zinc/18/72/60/644187260.db2.gz HVMMOOKXPWYVBL-WDEREUQCSA-N 0 3 270.398 2.143 20 30 CEEDHN CS[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000103330030 644187665 /nfs/dbraw/zinc/18/76/65/644187665.db2.gz MOQWCILCZMVPOB-PWSUYJOCSA-N 0 3 276.361 2.394 20 30 CEEDHN C[C@@]1(CCCO)CCCN1Cc1cncc(C#N)c1 ZINC000930160440 644272642 /nfs/dbraw/zinc/27/26/42/644272642.db2.gz PHFZXSLFAVOIQD-HNNXBMFYSA-N 0 3 259.353 2.080 20 30 CEEDHN C[C@H]1COCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000754381397 644365311 /nfs/dbraw/zinc/36/53/11/644365311.db2.gz BNCZRJUJAUSNRO-CYBMUJFWSA-N 0 3 260.337 2.057 20 30 CEEDHN CCCCCCCCNC(=O)NC1CCN(CCO)CC1 ZINC000755060979 644466512 /nfs/dbraw/zinc/46/65/12/644466512.db2.gz UQLQVYTYDSUNBQ-UHFFFAOYSA-N 0 3 299.459 2.103 20 30 CEEDHN C#CC[C@H](NC(=O)N[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000757032991 644721861 /nfs/dbraw/zinc/72/18/61/644721861.db2.gz KQUPUBLWYJYVLJ-CVEARBPZSA-N 0 3 285.391 2.144 20 30 CEEDHN N#CC(C(=O)CCc1ccncc1)C(=O)NC1CCCCC1 ZINC000759207566 644998578 /nfs/dbraw/zinc/99/85/78/644998578.db2.gz SMBMSCCHCJJSBT-OAHLLOKOSA-N 0 3 299.374 2.172 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(C)C1 ZINC000805185236 645064964 /nfs/dbraw/zinc/06/49/64/645064964.db2.gz VFGYBEXVNRPSQX-IRXDYDNUSA-N 0 3 299.418 2.014 20 30 CEEDHN C#CCSCCNCc1cc(F)c(N(C)C)cc1F ZINC000858142778 645073345 /nfs/dbraw/zinc/07/33/45/645073345.db2.gz MAFUDMLDTUHHAL-UHFFFAOYSA-N 0 3 284.375 2.487 20 30 CEEDHN C#CC[C@H](COC)NCc1ccc(OCOCC)cc1 ZINC000858335004 645123448 /nfs/dbraw/zinc/12/34/48/645123448.db2.gz KOHMKDVOHLGPDU-OAHLLOKOSA-N 0 3 277.364 2.187 20 30 CEEDHN C#CC[C@H](COC)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000858335782 645124029 /nfs/dbraw/zinc/12/40/29/645124029.db2.gz GWBWEVGYDMHHRD-DEBLGDTFSA-N 0 3 274.320 2.236 20 30 CEEDHN C#CC[C@H](NC[C@@H]1CC2(CC2)C(=O)O1)c1ccccc1 ZINC000763740720 645573350 /nfs/dbraw/zinc/57/33/50/645573350.db2.gz ZUUUTWWOUDGZIG-GJZGRUSLSA-N 0 3 269.344 2.436 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763760054 645576188 /nfs/dbraw/zinc/57/61/88/645576188.db2.gz LZGGTIAHZOFCMS-AWEZNQCLSA-N 0 3 275.348 2.406 20 30 CEEDHN C=CC[C@@H](C)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000878251222 651045742 /nfs/dbraw/zinc/04/57/42/651045742.db2.gz ILBWXLDLBLMBGU-CYBMUJFWSA-N 0 3 292.427 2.449 20 30 CEEDHN CCCC[C@H](ON=C(C)C)C(=O)N1CCNC(C)(C)C1 ZINC000768224495 646098577 /nfs/dbraw/zinc/09/85/77/646098577.db2.gz PWNWAMNPWWPCQS-ZDUSSCGKSA-N 0 3 283.416 2.168 20 30 CEEDHN C#CC[C@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000862445271 646463698 /nfs/dbraw/zinc/46/36/98/646463698.db2.gz PKVBFMQFOWFQKG-LBPRGKRZSA-N 0 3 274.320 2.449 20 30 CEEDHN C#CC[C@H]1CCN(Cc2ccnn2-c2ccncc2)C1 ZINC000862446535 646463850 /nfs/dbraw/zinc/46/38/50/646463850.db2.gz ADNOPJDTANTMGY-AWEZNQCLSA-N 0 3 266.348 2.113 20 30 CEEDHN C#CC[C@@H]1CCN(Cc2ncc(CN(C)C)s2)C1 ZINC000862447725 646466106 /nfs/dbraw/zinc/46/61/06/646466106.db2.gz PKXNYYZWEVLQPQ-GFCCVEGCSA-N 0 3 263.410 2.050 20 30 CEEDHN C#CCN1CCC(C(=O)NCC[C@@H]2CC=CCC2)CC1 ZINC000862948398 646602961 /nfs/dbraw/zinc/60/29/61/646602961.db2.gz KFWWRHHRPFHOPI-OAHLLOKOSA-N 0 3 274.408 2.194 20 30 CEEDHN CC1(OCC(=O)C(C#N)C(=O)Nc2ccccc2)CCC1 ZINC000772971327 646690735 /nfs/dbraw/zinc/69/07/35/646690735.db2.gz LLWBEHHGXAYUTH-CYBMUJFWSA-N 0 3 286.331 2.293 20 30 CEEDHN C=C(CC)CN1CCC[C@H](N2CCCCC2=O)C1 ZINC000773430741 646737628 /nfs/dbraw/zinc/73/76/28/646737628.db2.gz RADNRHZSMAWBAF-AWEZNQCLSA-N 0 3 250.386 2.430 20 30 CEEDHN CCN(CC)C(=O)CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000775384506 646948404 /nfs/dbraw/zinc/94/84/04/646948404.db2.gz TVQZNCBYJAKFIX-MRXNPFEDSA-N 0 3 285.391 2.394 20 30 CEEDHN C#C[C@H](N[C@@H](C)c1cc(OC)ccc1O)[C@@H]1CCCO1 ZINC000775572457 646967431 /nfs/dbraw/zinc/96/74/31/646967431.db2.gz AUKWDTDYJJOWKK-PJODQICGSA-N 0 3 275.348 2.232 20 30 CEEDHN CN(C)c1ccncc1CN=Nc1cncc(Cl)n1 ZINC000776184881 647033458 /nfs/dbraw/zinc/03/34/58/647033458.db2.gz AJWWCBMRTJIEHS-UHFFFAOYSA-N 0 3 276.731 2.037 20 30 CEEDHN CC[S@](=O)CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000776739965 647086744 /nfs/dbraw/zinc/08/67/44/647086744.db2.gz XREKECLNJZGIAN-YPMLDQLKSA-N 0 3 268.357 2.117 20 30 CEEDHN C[C@H](CNC(=O)C1(C#N)CC2(CC2)C1)N1CCCCC1 ZINC000864955060 647139363 /nfs/dbraw/zinc/13/93/63/647139363.db2.gz CHXUPAMKPAQRQU-CYBMUJFWSA-N 0 3 275.396 2.061 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)CC1 ZINC000865193962 647202486 /nfs/dbraw/zinc/20/24/86/647202486.db2.gz QIQGFXSLUAPPOQ-FAAHXZRKSA-N 0 3 262.397 2.045 20 30 CEEDHN C#CCCCCCC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000779931692 647372770 /nfs/dbraw/zinc/37/27/70/647372770.db2.gz XMYURUZPTXHZFF-HNNXBMFYSA-N 0 3 262.397 2.265 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN[C@H]1COC(C)(C)C1 ZINC000865621239 647391469 /nfs/dbraw/zinc/39/14/69/647391469.db2.gz YQMOOYWILOHURI-CQSZACIVSA-N 0 3 273.380 2.281 20 30 CEEDHN CN(C)CCN(C(=O)c1coc(C#N)c1)C1CCCC1 ZINC000865787184 647464717 /nfs/dbraw/zinc/46/47/17/647464717.db2.gz LRNNSABFOHMTTM-UHFFFAOYSA-N 0 3 275.352 2.098 20 30 CEEDHN CC(C)C[C@@H](NCC(=O)NCCC#N)c1ccccc1 ZINC000782840536 647658971 /nfs/dbraw/zinc/65/89/71/647658971.db2.gz IAUUZEABRHUWHJ-OAHLLOKOSA-N 0 3 273.380 2.393 20 30 CEEDHN COC(=O)CCCN1CCC(=NNCCC(C)(C)C)CC1 ZINC000782903694 647662775 /nfs/dbraw/zinc/66/27/75/647662775.db2.gz YSZKZMPNDQRNKR-UHFFFAOYSA-N 0 3 297.443 2.417 20 30 CEEDHN Cc1nccnc1[C@H](C)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866618149 647845444 /nfs/dbraw/zinc/84/54/44/647845444.db2.gz WEVHTFRSCDBCQK-BLLLJJGKSA-N 0 3 278.359 2.475 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CCCOCC1 ZINC000786310334 647999281 /nfs/dbraw/zinc/99/92/81/647999281.db2.gz IHGAHDAONXQXKX-JSGCOSHPSA-N 0 3 286.331 2.151 20 30 CEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CC(C)(C)C#N)c1 ZINC000786516442 648021304 /nfs/dbraw/zinc/02/13/04/648021304.db2.gz CCQLFYLVUZJBBB-CQSZACIVSA-N 0 3 297.358 2.260 20 30 CEEDHN C[C@@H](CCC#N)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000787765395 648136713 /nfs/dbraw/zinc/13/67/13/648136713.db2.gz QUJVPKWCDJPMLL-RYUDHWBXSA-N 0 3 295.408 2.401 20 30 CEEDHN CC(=NNC(=N)N)c1ccc(OC(C)C)c(Cl)c1 ZINC000788992301 648243487 /nfs/dbraw/zinc/24/34/87/648243487.db2.gz URJNGPQCCVCFLB-UHFFFAOYSA-N 0 3 268.748 2.334 20 30 CEEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ccc2c(cc[nH]c2=O)c1 ZINC000789062172 648253095 /nfs/dbraw/zinc/25/30/95/648253095.db2.gz NNRBGUWPCDSQCM-LLVKDONJSA-N 0 3 296.374 2.410 20 30 CEEDHN C=CCN1CCC(NC(=O)C2=C(CC)OCCC2)CC1 ZINC000790596166 648433835 /nfs/dbraw/zinc/43/38/35/648433835.db2.gz ANKHBYRBXKCINL-UHFFFAOYSA-N 0 3 278.396 2.228 20 30 CEEDHN C#C[C@@H](NCc1ccc(-n2ccnc2)cc1C)[C@H]1CCCO1 ZINC000792287990 648635690 /nfs/dbraw/zinc/63/56/90/648635690.db2.gz XZPJJHSTXUHNDG-QZTJIDSGSA-N 0 3 295.386 2.451 20 30 CEEDHN C#CC(C)(C)N(C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000794578872 648888005 /nfs/dbraw/zinc/88/80/05/648888005.db2.gz LQFXIGBWHYFONU-ZDUSSCGKSA-N 0 3 281.783 2.423 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(N)ccc2Cl)CC1 ZINC000870883015 648942939 /nfs/dbraw/zinc/94/29/39/648942939.db2.gz JMERORMEGGIRSJ-UHFFFAOYSA-N 0 3 293.798 2.302 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2csc(C)c2)CC1 ZINC000871116867 649008489 /nfs/dbraw/zinc/00/84/89/649008489.db2.gz IMSXWOHIVBXJAW-UHFFFAOYSA-N 0 3 262.378 2.340 20 30 CEEDHN Cc1cc(C)c(CC=CN=NC2=NCCN2)cc1C ZINC000872385657 649375921 /nfs/dbraw/zinc/37/59/21/649375921.db2.gz LDPYMVWTTZFHMX-SKJKHODJSA-N 0 3 256.353 2.160 20 30 CEEDHN COC(=O)[C@@H]1CC[C@@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000873498428 649689076 /nfs/dbraw/zinc/68/90/76/649689076.db2.gz BPHGLRGAGSVAQD-HBNTYKKESA-N 0 3 298.298 2.203 20 30 CEEDHN C=CCN(C[C@H]1CCC2(CCOCC2)CO1)[C@H](C)COC ZINC000878889688 651204456 /nfs/dbraw/zinc/20/44/56/651204456.db2.gz GDHGTBAKPFLJRG-HZPDHXFCSA-N 0 3 297.439 2.485 20 30 CEEDHN C#CCCN(CCOC)Cc1ccc(C)c(C(=O)OC)c1 ZINC000878999326 651226004 /nfs/dbraw/zinc/22/60/04/651226004.db2.gz LAQQQOGFICHYSI-UHFFFAOYSA-N 0 3 289.375 2.253 20 30 CEEDHN C=CC(C)(C)CC(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000879307790 651280882 /nfs/dbraw/zinc/28/08/82/651280882.db2.gz DFMJGXWANAHQIM-NEPJUHHUSA-N 0 3 270.442 2.093 20 30 CEEDHN Cc1ccc(CN(CC2CC2)[C@H](C(N)=O)C2CC2)cc1C#N ZINC000879485323 651310119 /nfs/dbraw/zinc/31/01/19/651310119.db2.gz DSNXUWUPQANKGY-KRWDZBQOSA-N 0 3 297.402 2.343 20 30 CEEDHN CO[C@H](CN1CCN(c2ccc(C#N)cc2)CC1)C1CCC1 ZINC000879587489 651327932 /nfs/dbraw/zinc/32/79/32/651327932.db2.gz WEEPGGTZIKAVCX-GOSISDBHSA-N 0 3 299.418 2.495 20 30 CEEDHN CCO[C@H](CN1CCN(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000879587295 651328045 /nfs/dbraw/zinc/32/80/45/651328045.db2.gz PXPVAGDYYNVOIN-GOSISDBHSA-N 0 3 299.418 2.495 20 30 CEEDHN N#Cc1ccc(N2CCN(CCC[C@@H]3CCOC3)CC2)cc1 ZINC000879586941 651328088 /nfs/dbraw/zinc/32/80/88/651328088.db2.gz ZRXPFYQGQVYMSU-QGZVFWFLSA-N 0 3 299.418 2.497 20 30 CEEDHN N#Cc1ccc(N2CCN(CC3CCC(=O)CC3)CC2)cc1 ZINC000879586948 651328112 /nfs/dbraw/zinc/32/81/12/651328112.db2.gz ZWQSIEUMIRINLK-UHFFFAOYSA-N 0 3 297.402 2.440 20 30 CEEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1ccnn1C ZINC000879684551 651339133 /nfs/dbraw/zinc/33/91/33/651339133.db2.gz JXBVMBOAKHBOFW-GFCCVEGCSA-N 0 3 270.336 2.021 20 30 CEEDHN C[C@H](C#N)OCCN[C@H](C)c1cc2cnccc2o1 ZINC000879714889 651342786 /nfs/dbraw/zinc/34/27/86/651342786.db2.gz KPHSNUHTFXPITF-GHMZBOCLSA-N 0 3 259.309 2.407 20 30 CEEDHN C[C@H](NCCOCCC#N)c1cc2cnccc2o1 ZINC000879714529 651342800 /nfs/dbraw/zinc/34/28/00/651342800.db2.gz IWZQZIPKIIKPDR-NSHDSACASA-N 0 3 259.309 2.409 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](C(C)(C)O)C1 ZINC000879960383 651367028 /nfs/dbraw/zinc/36/70/28/651367028.db2.gz DIVIGYVILYNADR-CABCVRRESA-N 0 3 296.455 2.282 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(CCCOC(C)(C)C)CC1 ZINC000880411804 651437095 /nfs/dbraw/zinc/43/70/95/651437095.db2.gz LXJZIJGHPPXLPJ-MRXNPFEDSA-N 0 3 298.471 2.136 20 30 CEEDHN C[C@H](C#N)OCCN[C@H](Cn1ccnc1)c1ccccc1 ZINC000880569867 651462087 /nfs/dbraw/zinc/46/20/87/651462087.db2.gz QZFHVSRKYLZTQJ-GDBMZVCRSA-N 0 3 284.363 2.143 20 30 CEEDHN C[C@H](N)c1cn(Cc2ccc(C#N)cc2C(F)(F)F)nn1 ZINC000881365805 651698823 /nfs/dbraw/zinc/69/88/23/651698823.db2.gz YSAODVUSEKRKSI-QMMMGPOBSA-N 0 3 295.268 2.237 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNc1ncc(C=O)cn1)C(C)C ZINC000881791466 651885606 /nfs/dbraw/zinc/88/56/06/651885606.db2.gz IVUYSECZNPVRRW-HNNXBMFYSA-N 0 3 288.395 2.400 20 30 CEEDHN C=CCN1CCC(Nc2nccc(OCCC)n2)CC1 ZINC000881947758 651923233 /nfs/dbraw/zinc/92/32/33/651923233.db2.gz WEBDMGZDRGMBBN-UHFFFAOYSA-N 0 3 276.384 2.328 20 30 CEEDHN Cc1ccc(N2CCN(C)[C@@H](C(C)C)C2)c(C#N)n1 ZINC000882701842 652185000 /nfs/dbraw/zinc/18/50/00/652185000.db2.gz FYCMDLHYYMCTFV-OAHLLOKOSA-N 0 3 258.369 2.038 20 30 CEEDHN C#CCOc1ccccc1CN[C@H](CO)C/C=C/C ZINC000883091058 652361725 /nfs/dbraw/zinc/36/17/25/652361725.db2.gz CIDLFZAEWMFGBI-UJAVWCLSSA-N 0 3 259.349 2.115 20 30 CEEDHN CSCCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000130985292 652363947 /nfs/dbraw/zinc/36/39/47/652363947.db2.gz ZGTNGOMIEWULOV-CYBMUJFWSA-N 0 3 290.388 2.155 20 30 CEEDHN C#CC[C@H](CO)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000883124401 652369927 /nfs/dbraw/zinc/36/99/27/652369927.db2.gz GDRVNDBJTIDGOS-OAHLLOKOSA-N 0 3 289.375 2.116 20 30 CEEDHN C=CCC[C@H](COc1ccccc1)NCc1cnnn1C ZINC000883222687 652405097 /nfs/dbraw/zinc/40/50/97/652405097.db2.gz YMNRIRREQMFWGF-CQSZACIVSA-N 0 3 286.379 2.319 20 30 CEEDHN C#CC1(NCc2ccc(C(=O)NC)cc2)CCCC1 ZINC000883362635 652444721 /nfs/dbraw/zinc/44/47/21/652444721.db2.gz JUUBFPPTPMNNDG-UHFFFAOYSA-N 0 3 256.349 2.082 20 30 CEEDHN N#Cc1cccc(CNC[C@H](O)C(F)(F)C(F)(F)F)c1 ZINC000883366620 652446135 /nfs/dbraw/zinc/44/61/35/652446135.db2.gz XEOYGSUDHLYJRF-JTQLQIEISA-N 0 3 294.223 2.206 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)Cc2csc(C)n2)CC1 ZINC001006379956 652590321 /nfs/dbraw/zinc/59/03/21/652590321.db2.gz HADXGTRFNNDPJL-UHFFFAOYSA-N 0 3 293.436 2.103 20 30 CEEDHN Cc1cccc(CN(C)C(=O)C2CC3(C2)CNC[C@@H]3C#N)c1 ZINC000884076436 652696557 /nfs/dbraw/zinc/69/65/57/652696557.db2.gz CZOVKKANWKQKRO-PQUAAJSLSA-N 0 3 297.402 2.093 20 30 CEEDHN COc1cc(C)ccc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884096875 652706442 /nfs/dbraw/zinc/70/64/42/652706442.db2.gz LRPHDYYERMVQRC-JZLYGMAVSA-N 0 3 299.374 2.082 20 30 CEEDHN C[C@@H]1CC[C@H](NC(=O)C2CC3(C2)CNC[C@@H]3C#N)[C@H](C)C1 ZINC000884137912 652723928 /nfs/dbraw/zinc/72/39/28/652723928.db2.gz YRMMTPRIDKESKA-CZKNBJCBSA-N 0 3 289.423 2.067 20 30 CEEDHN Cc1cccc(F)c1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884311188 652790699 /nfs/dbraw/zinc/79/06/99/652790699.db2.gz TYIIUJNPDWTNAK-BWBHSNQOSA-N 0 3 287.338 2.212 20 30 CEEDHN CC(C)CN1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000267178916 719330317 /nfs/dbraw/zinc/33/03/17/719330317.db2.gz DVTRSVNASGMFEK-UHFFFAOYSA-N 0 3 278.787 2.385 20 30 CEEDHN C=C(C)CCC(=O)N1CCC2(CN(CCOCC)C2)CC1 ZINC001270852113 805587787 /nfs/dbraw/zinc/58/77/87/805587787.db2.gz VPGTXFFWXPOVIC-UHFFFAOYSA-N 0 3 294.439 2.304 20 30 CEEDHN C#CCN1CCC(C)(CNC(=O)c2ccccc2C)CC1 ZINC001270860777 805615370 /nfs/dbraw/zinc/61/53/70/805615370.db2.gz OOHSUQFTJTUUMW-UHFFFAOYSA-N 0 3 284.403 2.460 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3cc[nH]c3n2)[C@H]1CC ZINC001087611748 805761015 /nfs/dbraw/zinc/76/10/15/805761015.db2.gz GLXOWTGLRPYSNJ-DZGCQCFKSA-N 0 3 298.390 2.332 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cocc2C)[C@H]1CC ZINC001087689227 805774039 /nfs/dbraw/zinc/77/40/39/805774039.db2.gz PXQBRTUJVXDTGZ-LSDHHAIUSA-N 0 3 274.364 2.194 20 30 CEEDHN C=CCCC(=O)N1CC[C@@H](NCc2nccs2)[C@@H](C)C1 ZINC001271378406 805921735 /nfs/dbraw/zinc/92/17/35/805921735.db2.gz ZZPAUVPKWZTPTF-QWHCGFSZSA-N 0 3 293.436 2.436 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C3(C)CC=CC3)C[C@@H]2C1 ZINC001088091786 805926502 /nfs/dbraw/zinc/92/65/02/805926502.db2.gz APQZHLCVXBPULN-CVEARBPZSA-N 0 3 286.419 2.146 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088097506 805930099 /nfs/dbraw/zinc/93/00/99/805930099.db2.gz ZIFJIGFKXJSNFZ-XHSDSOJGSA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]2C1 ZINC001088184898 805965871 /nfs/dbraw/zinc/96/58/71/805965871.db2.gz WSAZEJBBZRQRLX-OLZOCXBDSA-N 0 3 298.377 2.081 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001075863779 806093757 /nfs/dbraw/zinc/09/37/57/806093757.db2.gz JYOBUTIMSMLXHC-FRRDWIJNSA-N 0 3 284.350 2.141 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(F)c2)[C@H]1C ZINC001088452515 806251603 /nfs/dbraw/zinc/25/16/03/806251603.db2.gz PPYKVDPWVAYAQJ-DOMZBBRYSA-N 0 3 274.339 2.042 20 30 CEEDHN N#Cc1ccc(NCCNCc2ccnn2C2CCC2)nc1 ZINC000897396220 806328697 /nfs/dbraw/zinc/32/86/97/806328697.db2.gz NMLHDMDWSAFCRY-UHFFFAOYSA-N 0 3 296.378 2.076 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)coc2C)[C@H]1C ZINC001088551484 806376469 /nfs/dbraw/zinc/37/64/69/806376469.db2.gz FZSYZBFGECNFPJ-OCCSQVGLSA-N 0 3 274.364 2.112 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccncc2C)[C@H]1C ZINC001088568429 806438901 /nfs/dbraw/zinc/43/89/01/806438901.db2.gz HXLSSUOLMHHKGT-ZBFHGGJFSA-N 0 3 287.407 2.088 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccn(CC)c2C)[C@H]1C ZINC001088809777 806741397 /nfs/dbraw/zinc/74/13/97/806741397.db2.gz LGIDXJBYJOZACC-ZBFHGGJFSA-N 0 3 287.407 2.032 20 30 CEEDHN C=CCCCO[C@@H]1C[C@@H]2[C@H](OC(C)=O)C[C@H](C1)N2C ZINC001224511802 806792705 /nfs/dbraw/zinc/79/27/05/806792705.db2.gz SYDILRMICIDJFU-BYNSBNAKSA-N 0 3 267.369 2.136 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H](C)c3ccco3)[C@@H]2C1 ZINC001076468436 806850492 /nfs/dbraw/zinc/85/04/92/806850492.db2.gz BJJBCAUDNCLLCV-SOUVJXGZSA-N 0 3 288.391 2.492 20 30 CEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001077150667 806893315 /nfs/dbraw/zinc/89/33/15/806893315.db2.gz JMAORRSZVLIAII-HUUCEWRRSA-N 0 3 294.439 2.084 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001039024686 802367350 /nfs/dbraw/zinc/36/73/50/802367350.db2.gz UDVGGTHGFASJST-HNNXBMFYSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2oc(C(C)C)nc2C)C1 ZINC001032037149 808255858 /nfs/dbraw/zinc/25/58/58/808255858.db2.gz KJYVBAFAZBQEBR-UHFFFAOYSA-N 0 3 291.395 2.344 20 30 CEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCN(CC(=C)C)C1 ZINC001266322038 802437732 /nfs/dbraw/zinc/43/77/32/802437732.db2.gz ZHSPERARXXDGJL-CYBMUJFWSA-N 0 3 250.386 2.355 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCN(CC=C(C)C)C1 ZINC001266333622 802451456 /nfs/dbraw/zinc/45/14/56/802451456.db2.gz QRHAGXXIDGVQTN-RDJZCZTQSA-N 0 3 294.439 2.372 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1scnc1C1CC1 ZINC001266335490 802453233 /nfs/dbraw/zinc/45/32/33/802453233.db2.gz XNYGGSVZNJJYGZ-UHFFFAOYSA-N 0 3 279.409 2.258 20 30 CEEDHN C=CCN(CC)CCNC(=O)C1Cc2ccccc2C1 ZINC001266418273 802550162 /nfs/dbraw/zinc/55/01/62/802550162.db2.gz UYCVNCOBOVFZQD-UHFFFAOYSA-N 0 3 272.392 2.026 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1(C(F)F)CC1 ZINC001266465330 802614244 /nfs/dbraw/zinc/61/42/44/802614244.db2.gz UGWMDDBDDFQHAV-NSHDSACASA-N 0 3 272.339 2.188 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@H]3CCC(C)(C)C3)C2)C1 ZINC001041638054 802631902 /nfs/dbraw/zinc/63/19/02/802631902.db2.gz HDHJQSLSJWXYGQ-YJBOKZPZSA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c(C)ccn1C ZINC001038189664 802670630 /nfs/dbraw/zinc/67/06/30/802670630.db2.gz GNIRBGBCWKQTDV-AWEZNQCLSA-N 0 3 275.396 2.104 20 30 CEEDHN CC#CCN[C@H]1CCN(C(=O)C2CCC3(CC3)CC2)C1 ZINC001266538847 802694849 /nfs/dbraw/zinc/69/48/49/802694849.db2.gz WBTQCTXPRJVVRR-HNNXBMFYSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001266553369 802710840 /nfs/dbraw/zinc/71/08/40/802710840.db2.gz JNRWQKGDBAKYSU-WBVHZDCISA-N 0 3 284.403 2.394 20 30 CEEDHN C=CCN(CCNC(=O)C[C@H]1CCC(C)(C)CO1)C1CC1 ZINC001266602571 802758821 /nfs/dbraw/zinc/75/88/21/802758821.db2.gz KNWPYWDKWQOTBM-OAHLLOKOSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3cccc(C)c3C)C2)C1 ZINC001041812181 802803083 /nfs/dbraw/zinc/80/30/83/802803083.db2.gz IIHWBOREVUBXHU-LJQANCHMSA-N 0 3 296.414 2.475 20 30 CEEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001266668904 802826148 /nfs/dbraw/zinc/82/61/48/802826148.db2.gz HWHMQZJZYGFPHU-FVQHAEBGSA-N 0 3 297.402 2.152 20 30 CEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@@H](C)C(C)C)[C@H]2C1 ZINC001083213079 802827337 /nfs/dbraw/zinc/82/73/37/802827337.db2.gz NCWYYWSEUFTIPE-HRCADAONSA-N 0 3 294.439 2.156 20 30 CEEDHN C=C(C)CCC(=O)N(C)CCNCc1cnc(C)s1 ZINC001266713560 802859626 /nfs/dbraw/zinc/85/96/26/802859626.db2.gz GZBRRPJAAYJVNJ-UHFFFAOYSA-N 0 3 281.425 2.356 20 30 CEEDHN CC#CCNCCN(C)C(=O)C/C=C/Cc1ccccc1 ZINC001266731299 802869824 /nfs/dbraw/zinc/86/98/24/802869824.db2.gz ZBVDIHAFRKKFPR-CMDGGOBGSA-N 0 3 284.403 2.247 20 30 CEEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)C1=CCCC1 ZINC001266839837 802934892 /nfs/dbraw/zinc/93/48/92/802934892.db2.gz JEUGXJWFMLVJEL-INIZCTEOSA-N 0 3 292.423 2.270 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)C(=C)C)C1 ZINC001266895405 802976107 /nfs/dbraw/zinc/97/61/07/802976107.db2.gz OAJNAAYPEWEKDA-CABCVRRESA-N 0 3 276.424 2.439 20 30 CEEDHN CC#CCN[C@@H](C)CNC(=O)[C@@H](CC)CCCC ZINC001266926829 803003427 /nfs/dbraw/zinc/00/34/27/803003427.db2.gz QWEUWUQOJXLIBV-KBPBESRZSA-N 0 3 252.402 2.320 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)C2(CF)CC2)CC[C@@H]1C ZINC001132300999 812820180 /nfs/dbraw/zinc/82/01/80/812820180.db2.gz UMGSHQNIFINSHQ-STQMWFEESA-N 0 3 268.376 2.281 20 30 CEEDHN C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CCCO)C2)CC1 ZINC001132278900 812820867 /nfs/dbraw/zinc/82/08/67/812820867.db2.gz SMERWWZOPRRPHH-HUUCEWRRSA-N 0 3 294.439 2.084 20 30 CEEDHN C=CCCC1(C(=O)N[C@H]2CC[C@H](C)N(CCCO)C2)CC1 ZINC001132278898 812821629 /nfs/dbraw/zinc/82/16/29/812821629.db2.gz SMERWWZOPRRPHH-GJZGRUSLSA-N 0 3 294.439 2.084 20 30 CEEDHN CC#CCNCCN(C)C(=O)C(C)(C)CC(F)(F)F ZINC001266958192 803019921 /nfs/dbraw/zinc/01/99/21/803019921.db2.gz BRNGBMSTVVWDDD-UHFFFAOYSA-N 0 3 278.318 2.036 20 30 CEEDHN CC#CCN[C@H](C)CNC(=O)c1cccc(Cl)c1F ZINC001266968540 803029416 /nfs/dbraw/zinc/02/94/16/803029416.db2.gz SBAOTPUNVSFXOO-SNVBAGLBSA-N 0 3 282.746 2.210 20 30 CEEDHN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cnc(C)cn1 ZINC001133885244 813169512 /nfs/dbraw/zinc/16/95/12/813169512.db2.gz YCDKEUDMYJXPBB-OLZOCXBDSA-N 0 3 290.411 2.124 20 30 CEEDHN N#Cc1cc(CNCCNC(=O)C2=CCCC2)ccc1F ZINC001125624703 803195944 /nfs/dbraw/zinc/19/59/44/803195944.db2.gz GIMVMVFGANAKID-UHFFFAOYSA-N 0 3 287.338 2.013 20 30 CEEDHN C=CCOCCN(C)CCNC(=O)C1CCC2(CC2)CC1 ZINC001267208065 803232874 /nfs/dbraw/zinc/23/28/74/803232874.db2.gz 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/nfs/dbraw/zinc/48/95/39/803489539.db2.gz APIIHLZUVNVHPN-HUUCEWRRSA-N 0 3 274.408 2.123 20 30 CEEDHN C=CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccon3)C(C)(C)[C@H]21 ZINC001087273592 803496186 /nfs/dbraw/zinc/49/61/86/803496186.db2.gz BUUCSVJWCGRIMW-BNOWGMLFSA-N 0 3 289.379 2.079 20 30 CEEDHN C#CCNCCN(C)C(=O)c1cc2cccc(C)c2o1 ZINC001267473461 803499128 /nfs/dbraw/zinc/49/91/28/803499128.db2.gz GQZYCKLXEFEUCM-UHFFFAOYSA-N 0 3 270.332 2.036 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3csc(C)n3)C[C@@H]21 ZINC001042196883 803512666 /nfs/dbraw/zinc/51/26/66/803512666.db2.gz SYUVBLBNZOLFIA-OCCSQVGLSA-N 0 3 291.420 2.174 20 30 CEEDHN C=CCCC(=O)NCC[C@@H]1CCN(Cc2ocnc2C)C1 ZINC001267554024 803543050 /nfs/dbraw/zinc/54/30/50/803543050.db2.gz DEESUDYLBKOYMO-CQSZACIVSA-N 0 3 291.395 2.277 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)CC(C)(C)C)C1 ZINC001149173741 803650785 /nfs/dbraw/zinc/65/07/85/803650785.db2.gz AHPCLANYZLJXSU-AWEZNQCLSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCC[C@@H](C)N1CC(NC(=O)[C@H]2CCCCN2CC)C1 ZINC001267671745 803651066 /nfs/dbraw/zinc/65/10/66/803651066.db2.gz IXWUDTOOGUFLNH-GDBMZVCRSA-N 0 3 293.455 2.016 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H](C)n2cccc2)C1 ZINC001267732647 803682281 /nfs/dbraw/zinc/68/22/81/803682281.db2.gz YDPGLWFDLBASRL-GJZGRUSLSA-N 0 3 275.396 2.206 20 30 CEEDHN C#CCCN[C@@H]1CN(C(=O)[C@H](C)CC)C[C@H]1C(F)(F)F ZINC001112048942 803690443 /nfs/dbraw/zinc/69/04/43/803690443.db2.gz RZIXCZUKUOLEEW-IJLUTSLNSA-N 0 3 290.329 2.035 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)CC(C)(C)CC)C1 ZINC001267762050 803716001 /nfs/dbraw/zinc/71/60/01/803716001.db2.gz COTKINDAPYOUDH-CQSZACIVSA-N 0 3 264.413 2.369 20 30 CEEDHN CC[C@H](CNC(=O)C#CC(C)C)NCc1ccccc1F ZINC001267803424 803744317 /nfs/dbraw/zinc/74/43/17/803744317.db2.gz RKCWZEFPNQGEIA-OAHLLOKOSA-N 0 3 290.382 2.470 20 30 CEEDHN C=CCN1CCN(CN2CC[C@H]3CCCC[C@@H]3C2)C1=O ZINC001117941182 814967322 /nfs/dbraw/zinc/96/73/22/814967322.db2.gz ZRCMFJMEABFADT-HUUCEWRRSA-N 0 3 277.412 2.380 20 30 CEEDHN C=CCN1CCN(CN2CC[C@H]3CCCC[C@H]3C2)C1=O ZINC001117941178 814968025 /nfs/dbraw/zinc/96/80/25/814968025.db2.gz ZRCMFJMEABFADT-CABCVRRESA-N 0 3 277.412 2.380 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccn(C)c1CC ZINC001038698819 803973342 /nfs/dbraw/zinc/97/33/42/803973342.db2.gz ITSPHVSIKWEXEY-CQSZACIVSA-N 0 3 289.423 2.358 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2sccc2F)C1 ZINC001027394298 804061562 /nfs/dbraw/zinc/06/15/62/804061562.db2.gz KCYFUJQNAFVMBA-LLVKDONJSA-N 0 3 280.368 2.057 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(C(C)C)n2)C1 ZINC001027481844 804085197 /nfs/dbraw/zinc/08/51/97/804085197.db2.gz XADSPWPZGDBERW-OAHLLOKOSA-N 0 3 299.418 2.375 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001027570683 804129347 /nfs/dbraw/zinc/12/93/47/804129347.db2.gz AMCYLTYHMYTTLP-ZIAGYGMSSA-N 0 3 298.377 2.368 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2ccco2)C1 ZINC001027609665 804152156 /nfs/dbraw/zinc/15/21/56/804152156.db2.gz ZZAIPKJQRMGEHM-GJZGRUSLSA-N 0 3 288.391 2.014 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(C3CC3)cn2)C1 ZINC001027667439 804186563 /nfs/dbraw/zinc/18/65/63/804186563.db2.gz RTLYJNWYDNXDSA-MRXNPFEDSA-N 0 3 297.402 2.129 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC001027737965 804231046 /nfs/dbraw/zinc/23/10/46/804231046.db2.gz UMGWBJLOYSQVDL-MRXNPFEDSA-N 0 3 270.376 2.213 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc2cccn2cn1 ZINC001027962977 804366473 /nfs/dbraw/zinc/36/64/73/804366473.db2.gz FZSJMVQDXSWKRD-OAHLLOKOSA-N 0 3 298.390 2.105 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccccc1COC ZINC001027994884 804385254 /nfs/dbraw/zinc/38/52/54/804385254.db2.gz ZMBHAPOFNMNNKX-HNNXBMFYSA-N 0 3 288.391 2.213 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc(COC)c1 ZINC001028005282 804389543 /nfs/dbraw/zinc/38/95/43/804389543.db2.gz PFOWGCVNKVOGQC-INIZCTEOSA-N 0 3 288.391 2.213 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccn2ccccc12 ZINC001028018685 804395862 /nfs/dbraw/zinc/39/58/62/804395862.db2.gz BVVXJFAGOBFPGU-AWEZNQCLSA-N 0 3 283.375 2.320 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ncc(C)cc1C ZINC001028043973 804410156 /nfs/dbraw/zinc/41/01/56/804410156.db2.gz CFGGSJWABUXDJA-OAHLLOKOSA-N 0 3 287.407 2.469 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ncccc1C ZINC001038155076 804415423 /nfs/dbraw/zinc/41/54/23/804415423.db2.gz VQEYBRSKFJDPEL-AWEZNQCLSA-N 0 3 273.380 2.160 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001028092066 804447740 /nfs/dbraw/zinc/44/77/40/804447740.db2.gz LAPIYQOMMFPIGH-CBBWQLFWSA-N 0 3 262.397 2.189 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC001028137630 804488326 /nfs/dbraw/zinc/48/83/26/804488326.db2.gz LEVIULHXHYVFIE-INIZCTEOSA-N 0 3 299.418 2.423 20 30 CEEDHN C=CCN1CC[C@H]1CNC(=O)[C@H]1CCCCN1CCCC ZINC001038904849 804512567 /nfs/dbraw/zinc/51/25/67/804512567.db2.gz XXOHRHHQZSCEBR-JKSUJKDBSA-N 0 3 293.455 2.018 20 30 CEEDHN Cc1ccc(CN2CCC(n3cnnc3)CC2)cc1C#N ZINC001139725896 804515583 /nfs/dbraw/zinc/51/55/83/804515583.db2.gz IUERJMDXRUORMY-UHFFFAOYSA-N 0 3 281.363 2.295 20 30 CEEDHN C=C(C)CN1CCC(N2C(=O)[C@H](C)N(CCC)C2=O)CC1 ZINC000349047876 807015610 /nfs/dbraw/zinc/01/56/10/807015610.db2.gz LXWALNMJDGSYNZ-ZDUSSCGKSA-N 0 3 293.411 2.090 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccoc1CC ZINC001268235218 804560948 /nfs/dbraw/zinc/56/09/48/804560948.db2.gz FAINGMUEKXHVDB-UHFFFAOYSA-N 0 3 264.369 2.422 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(CCC)on1 ZINC001028233523 804595744 /nfs/dbraw/zinc/59/57/44/804595744.db2.gz GBYKKNFJMPFGJW-CYBMUJFWSA-N 0 3 291.395 2.397 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1csc(Cl)n1 ZINC001028242689 804606789 /nfs/dbraw/zinc/60/67/89/804606789.db2.gz GTRBNLOSSYXZMH-JTQLQIEISA-N 0 3 297.811 2.014 20 30 CEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ncccc1CC ZINC001268378529 804640883 /nfs/dbraw/zinc/64/08/83/804640883.db2.gz WLEPPAXTJATAJE-LBPRGKRZSA-N 0 3 295.814 2.495 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1[nH]nc2ccccc21 ZINC001028296526 804700055 /nfs/dbraw/zinc/70/00/55/804700055.db2.gz YNDBNOSMLCEQPB-ZDUSSCGKSA-N 0 3 298.390 2.333 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(CF)cc1 ZINC001028342195 804721626 /nfs/dbraw/zinc/72/16/26/804721626.db2.gz GSLWDMMRJKOKGH-INIZCTEOSA-N 0 3 288.366 2.374 20 30 CEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ccco2)[C@H](OC)C1 ZINC001211765616 804768477 /nfs/dbraw/zinc/76/84/77/804768477.db2.gz FOSMMVNMFZOQRB-GZBFAFLISA-N 0 3 292.379 2.063 20 30 CEEDHN CC#CCNC/C=C\CNC(=O)C[C@H]1C=CCCC1 ZINC001268558127 804822581 /nfs/dbraw/zinc/82/25/81/804822581.db2.gz WDOUREJPNZEWER-LZNQSLFOSA-N 0 3 260.381 2.018 20 30 CEEDHN CC#CCNC/C=C/CNC(=O)C[C@@H]1C=CCCC1 ZINC001268558128 804822803 /nfs/dbraw/zinc/82/28/03/804822803.db2.gz WDOUREJPNZEWER-MVGZEHJDSA-N 0 3 260.381 2.018 20 30 CEEDHN C#CCNC/C=C/CNC(=O)c1[nH]ccc1-c1ccccc1 ZINC001268615163 804892156 /nfs/dbraw/zinc/89/21/56/804892156.db2.gz WYJHKESWVHRGBH-VOTSOKGWSA-N 0 3 293.370 2.191 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)C23CCC(CC2)C3)C1 ZINC001028634222 804949911 /nfs/dbraw/zinc/94/99/11/804949911.db2.gz XHQGXRICGUBKFB-CKDBGZEDSA-N 0 3 274.408 2.028 20 30 CEEDHN C=CCN(C)C[C@@H](C)NC(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC001268752435 804957001 /nfs/dbraw/zinc/95/70/01/804957001.db2.gz NTBNQROTJXOJAX-CABCVRRESA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)CC[NH2+]CCCN(C)C(=O)c1ccccc1[O-] ZINC001268780056 804970522 /nfs/dbraw/zinc/97/05/22/804970522.db2.gz NRMFWKYILOUKEY-UHFFFAOYSA-N 0 3 276.380 2.410 20 30 CEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCN(CCOC(C)C)C1 ZINC001269057297 805035852 /nfs/dbraw/zinc/03/58/52/805035852.db2.gz TYOYWWGJLNGMKT-GJZGRUSLSA-N 0 3 282.428 2.204 20 30 CEEDHN C#CCCCC(=O)N[C@@H](CNCc1ncccc1C)C1CC1 ZINC001269066285 805040240 /nfs/dbraw/zinc/04/02/40/805040240.db2.gz CAEPXFMTJHSSHO-KRWDZBQOSA-N 0 3 299.418 2.178 20 30 CEEDHN O=C(C#CC1CC1)N[C@@H]1CCN([C@@H]2CCc3ccccc32)C1 ZINC001269126210 805056255 /nfs/dbraw/zinc/05/62/55/805056255.db2.gz DOGZHEDUPPGZGI-SJLPKXTDSA-N 0 3 294.398 2.278 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)CC(C)(C)C(F)(F)F)C1 ZINC001269192377 805077357 /nfs/dbraw/zinc/07/73/57/805077357.db2.gz WIYVTNUHOPJXRL-LLVKDONJSA-N 0 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20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccn2C)C1 ZINC001034105428 809514473 /nfs/dbraw/zinc/51/44/73/809514473.db2.gz UTMFQIHBHSHBKQ-CQSZACIVSA-N 0 3 275.396 2.186 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccn(C)c2)C1 ZINC001034161136 809537135 /nfs/dbraw/zinc/53/71/35/809537135.db2.gz NEBBUOXOVLEMNL-OAHLLOKOSA-N 0 3 275.396 2.186 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001034167000 809538740 /nfs/dbraw/zinc/53/87/40/809538740.db2.gz GUICKJCJWBVGFN-STQMWFEESA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CCc3cccnc32)C1 ZINC001034365124 809592320 /nfs/dbraw/zinc/59/23/20/809592320.db2.gz PHRHENPXHDLFAZ-CVEARBPZSA-N 0 3 299.418 2.268 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001034514294 809622559 /nfs/dbraw/zinc/62/25/59/809622559.db2.gz HMPVVUFNIZNSFG-ZDUSSCGKSA-N 0 3 298.390 2.333 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C(C)C)CC2 ZINC001035653204 809797506 /nfs/dbraw/zinc/79/75/06/809797506.db2.gz PGFXKJGECCKEKP-UHFFFAOYSA-N 0 3 250.386 2.143 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)/C=C\c1ccco1)CC2 ZINC001035638727 809799837 /nfs/dbraw/zinc/79/98/37/809799837.db2.gz WEHPYXSMJOIKHK-SREVYHEPSA-N 0 3 298.386 2.241 20 30 CEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)[C@@]12C[C@@H]1CCCC2 ZINC000709245253 809958596 /nfs/dbraw/zinc/95/85/96/809958596.db2.gz LOQHAEKMXQFLBK-RMRHIDDWSA-N 0 3 263.385 2.093 20 30 CEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@@H](C)C1 ZINC001121567008 815343906 /nfs/dbraw/zinc/34/39/06/815343906.db2.gz IWBBKRSHJLVZHL-ZIAGYGMSSA-N 0 3 289.427 2.120 20 30 CEEDHN N#Cc1cc(CN2C[C@@H]3CSC[C@@H]3C2)ccc1F ZINC000711631001 810087880 /nfs/dbraw/zinc/08/78/80/810087880.db2.gz AFZJNJNUOOWLDS-BETUJISGSA-N 0 3 262.353 2.492 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001079400507 810205480 /nfs/dbraw/zinc/20/54/80/810205480.db2.gz QHXIQTBXHZNFNC-RBSFLKMASA-N 0 3 262.397 2.355 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2c(C)noc2C(F)F)C1 ZINC001014889108 810242036 /nfs/dbraw/zinc/24/20/36/810242036.db2.gz MWUDXVPIYUAQCX-JTQLQIEISA-N 0 3 299.321 2.301 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC001080085975 810246444 /nfs/dbraw/zinc/24/64/44/810246444.db2.gz OTQZKLODNYHXQT-DGCLKSJQSA-N 0 3 295.814 2.305 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccccc2OCC=C)C1 ZINC001014980376 810249847 /nfs/dbraw/zinc/24/98/47/810249847.db2.gz MMAKJCJQWKGFRV-HNNXBMFYSA-N 0 3 298.386 2.079 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001080176184 810254285 /nfs/dbraw/zinc/25/42/85/810254285.db2.gz JOWJUINVNRGSKY-NQNKBUKLSA-N 0 3 288.435 2.273 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(c3cccnc3)CC2)C1 ZINC001080310798 810270455 /nfs/dbraw/zinc/27/04/55/810270455.db2.gz FHSWXZMWDLRGCD-GDBMZVCRSA-N 0 3 299.418 2.126 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C2CCC(F)CC2)C1 ZINC001080389338 810274981 /nfs/dbraw/zinc/27/49/81/810274981.db2.gz GILPONHZROIMCX-BLYZHGLHSA-N 0 3 268.376 2.137 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001080510088 810287963 /nfs/dbraw/zinc/28/79/63/810287963.db2.gz ROFMPUUOLILRPY-DGCLKSJQSA-N 0 3 286.366 2.434 20 30 CEEDHN C=C(C)CCN1C[C@@H](C)[C@H](NC(=O)c2nccs2)C1 ZINC001080660509 810300468 /nfs/dbraw/zinc/30/04/68/810300468.db2.gz FEOUTRUPQOTHGI-VXGBXAGGSA-N 0 3 279.409 2.159 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2sccc2CC)C1 ZINC001080989398 810324204 /nfs/dbraw/zinc/32/42/04/810324204.db2.gz JSGNWPDCUSFGSJ-TZMCWYRMSA-N 0 3 290.432 2.384 20 30 CEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001015781026 810352665 /nfs/dbraw/zinc/35/26/65/810352665.db2.gz JICDSOFBJRWLQR-ZDUSSCGKSA-N 0 3 289.379 2.322 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001015772977 810352984 /nfs/dbraw/zinc/35/29/84/810352984.db2.gz FSKCBHKRTGLVOF-DOTOQJQBSA-N 0 3 284.403 2.312 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)C2CCC(=C)CC2)[C@H](OC)C1 ZINC001082102196 810366703 /nfs/dbraw/zinc/36/67/03/810366703.db2.gz WAIDQQSKRDVLFK-HZPDHXFCSA-N 0 3 292.423 2.124 20 30 CEEDHN CCN1CCN([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172309940 815365320 /nfs/dbraw/zinc/36/53/20/815365320.db2.gz YELKHRJFEULDBM-CQSZACIVSA-N 0 3 257.381 2.127 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001016038159 810389993 /nfs/dbraw/zinc/38/99/93/810389993.db2.gz RWMMBOMWQXSHKU-KKUMJFAQSA-N 0 3 262.397 2.027 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)N(C)Cc1cncnc1 ZINC001172313242 815366966 /nfs/dbraw/zinc/36/69/66/815366966.db2.gz SHRFDJDXBFRZBW-CYBMUJFWSA-N 0 3 266.348 2.411 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cccc3cnccc32)C1 ZINC001016260823 810417233 /nfs/dbraw/zinc/41/72/33/810417233.db2.gz IDGCFSWQQCADNK-OAHLLOKOSA-N 0 3 293.370 2.062 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCc1ccc(F)c(F)c1 ZINC001121937252 815368680 /nfs/dbraw/zinc/36/86/80/815368680.db2.gz PVPSCVFDBVRYQK-AWEZNQCLSA-N 0 3 282.334 2.307 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)N1CC[C@](O)(C(F)(F)F)C1 ZINC001172316759 815369126 /nfs/dbraw/zinc/36/91/26/815369126.db2.gz WZKIXJKRVLJOHR-BXUZGUMPSA-N 0 3 298.308 2.488 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3CCCC3)[C@@H]2C1 ZINC001084145436 810435884 /nfs/dbraw/zinc/43/58/84/810435884.db2.gz ZKPHAJFJQOJHOU-HUUCEWRRSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3oc(C)nc3C)[C@@H]2C1 ZINC001084251447 810448849 /nfs/dbraw/zinc/44/88/49/810448849.db2.gz OAIZWOZPPZBHMG-ZIAGYGMSSA-N 0 3 289.379 2.014 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC3CCC3)[C@@H]2C1 ZINC001084253701 810448866 /nfs/dbraw/zinc/44/88/66/810448866.db2.gz NKSFKXUSNVEUMN-HUUCEWRRSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(CC(=O)OC)c1 ZINC001121953534 815370476 /nfs/dbraw/zinc/37/04/76/815370476.db2.gz FEOMARQAQZCXIH-CQSZACIVSA-N 0 3 290.363 2.024 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC2(F)F)CC1 ZINC001016682315 810461771 /nfs/dbraw/zinc/46/17/71/810461771.db2.gz OVDQCAKCSZKLBS-STQMWFEESA-N 0 3 296.361 2.026 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)/C=C(/C)C3CC3)C2)C1 ZINC001041111173 810462515 /nfs/dbraw/zinc/46/25/15/810462515.db2.gz 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/nfs/dbraw/zinc/37/29/63/815372963.db2.gz XFRVLFSXUHJAEF-HRCADAONSA-N 0 3 272.392 2.417 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(F)(F)F ZINC001017811144 810554193 /nfs/dbraw/zinc/55/41/93/810554193.db2.gz LESGKALBNNTSAA-SDDRHHMPSA-N 0 3 290.329 2.436 20 30 CEEDHN O[C@@H]1CCC[C@H]1NN=Cc1ccc(N2CCCC2)cc1 ZINC001120073309 810590811 /nfs/dbraw/zinc/59/08/11/810590811.db2.gz FVLFKOTWOVUPIE-HZPDHXFCSA-N 0 3 273.380 2.124 20 30 CEEDHN CC(C)(F)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001018403086 810612240 /nfs/dbraw/zinc/61/22/40/810612240.db2.gz KMZOAEYTESABEM-JTQLQIEISA-N 0 3 295.383 2.058 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC1(F)F ZINC001085190953 810629806 /nfs/dbraw/zinc/62/98/06/810629806.db2.gz ARJPHGGBSCFUHZ-GMTAPVOTSA-N 0 3 292.757 2.411 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)Cc2coc3ccc(C)cc23)C1 ZINC001018924656 810664798 /nfs/dbraw/zinc/66/47/98/810664798.db2.gz LCAVXFVWUJGCHW-HNNXBMFYSA-N 0 3 296.370 2.107 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc(C3CC3)oc2C2CC2)C1 ZINC001019174268 810682543 /nfs/dbraw/zinc/68/25/43/810682543.db2.gz STTUVBHPMRQDSO-AWEZNQCLSA-N 0 3 298.386 2.472 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@H](NCc2cc(C)ns2)C1 ZINC001019237081 810687691 /nfs/dbraw/zinc/68/76/91/810687691.db2.gz OQCMLTSNWDQEJY-LBPRGKRZSA-N 0 3 293.436 2.354 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@H](CC)Cc2cccc(C)c2)C1 ZINC001019473199 810713121 /nfs/dbraw/zinc/71/31/21/810713121.db2.gz QINBMDVIXKVUQC-MSOLQXFVSA-N 0 3 298.430 2.387 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC001019518657 810717436 /nfs/dbraw/zinc/71/74/36/810717436.db2.gz XUVLMPFZKJFLQI-LPHOPBHVSA-N 0 3 296.414 2.104 20 30 CEEDHN CC[C@H](C)C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001154780511 810726832 /nfs/dbraw/zinc/72/68/32/810726832.db2.gz AFLPYIQAFYDEOE-LBPRGKRZSA-N 0 3 291.370 2.339 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1CCC(OC)CC1 ZINC001038642320 810750857 /nfs/dbraw/zinc/75/08/57/810750857.db2.gz ICGQNCWJOIXYGU-PCKAHOCUSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001020079835 810768182 /nfs/dbraw/zinc/76/81/82/810768182.db2.gz IULITFJMMIXTRN-GMTAPVOTSA-N 0 3 256.777 2.022 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccccc1 ZINC001085462269 810770759 /nfs/dbraw/zinc/77/07/59/810770759.db2.gz AJAPKLFYIVTYBX-HNNXBMFYSA-N 0 3 258.365 2.409 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1coc(C)n1 ZINC001085559767 810827682 /nfs/dbraw/zinc/82/76/82/810827682.db2.gz XAKXRPAJEJDXIA-ZDUSSCGKSA-N 0 3 277.368 2.096 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1[nH]ccc1C ZINC001085574601 810840612 /nfs/dbraw/zinc/84/06/12/810840612.db2.gz BOOKRHITNJXQFO-ZDUSSCGKSA-N 0 3 261.369 2.046 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC1(F)F ZINC001085587075 810840895 /nfs/dbraw/zinc/84/08/95/810840895.db2.gz IJFHPVPHRVYAJB-VXGBXAGGSA-N 0 3 272.339 2.141 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc2[nH]ccc2n1 ZINC001038513088 810854189 /nfs/dbraw/zinc/85/41/89/810854189.db2.gz MVUMWBIGFJPAIS-ZDUSSCGKSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)c(C)n1 ZINC001085724655 810889597 /nfs/dbraw/zinc/88/95/97/810889597.db2.gz BGMFNPYETRROGE-HNNXBMFYSA-N 0 3 287.407 2.421 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc2nccn21 ZINC001085721180 810891272 /nfs/dbraw/zinc/89/12/72/810891272.db2.gz OPYBMSYVNREWCE-CQSZACIVSA-N 0 3 298.390 2.057 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCO[C@H]1CC ZINC001085734175 810895199 /nfs/dbraw/zinc/89/51/99/810895199.db2.gz ZYSTVKREWXBJLF-OAGGEKHMSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001038727715 810898577 /nfs/dbraw/zinc/89/85/77/810898577.db2.gz QSQQOAAZLWETOH-BFHYXJOUSA-N 0 3 274.364 2.150 20 30 CEEDHN C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2CCC=C)cc1 ZINC001085757579 810901992 /nfs/dbraw/zinc/90/19/92/810901992.db2.gz KXLYPIDNPKSVKG-QGZVFWFLSA-N 0 3 282.387 2.390 20 30 CEEDHN C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(C)C)cc1 ZINC001085757765 810903132 /nfs/dbraw/zinc/90/31/32/810903132.db2.gz QTPUDDDBNQLBFF-MRXNPFEDSA-N 0 3 270.376 2.223 20 30 CEEDHN C#Cc1cncc(C(=O)N(C)C[C@H]2CCN2CCC(C)C)c1 ZINC001085810357 810927721 /nfs/dbraw/zinc/92/77/21/810927721.db2.gz BWWCSVYODZLJNH-QGZVFWFLSA-N 0 3 299.418 2.255 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccccc1OC ZINC001038945248 810954664 /nfs/dbraw/zinc/95/46/64/810954664.db2.gz QHEYIUCQLAPDAD-CQSZACIVSA-N 0 3 288.391 2.466 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ncccc1F ZINC001085894240 810959039 /nfs/dbraw/zinc/95/90/39/810959039.db2.gz UQRMYXPOOMVTBG-CYBMUJFWSA-N 0 3 291.370 2.333 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cn1 ZINC001085935610 810974620 /nfs/dbraw/zinc/97/46/20/810974620.db2.gz JUCLBNNKWPKOGM-CYBMUJFWSA-N 0 3 293.798 2.457 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1[nH]cnc1CC ZINC001085950884 810979542 /nfs/dbraw/zinc/97/95/42/810979542.db2.gz QLVKQLLSMSHMNW-CYBMUJFWSA-N 0 3 290.411 2.085 20 30 CEEDHN CC[C@H](CC(F)(F)F)NC(=O)[C@@H](N)CCCCC#N ZINC001122453891 815413083 /nfs/dbraw/zinc/41/30/83/815413083.db2.gz 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/nfs/dbraw/zinc/05/74/65/811057465.db2.gz MQHMUAJKXUFGFA-UHFFFAOYSA-N 0 3 256.305 2.064 20 30 CEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cccc(OC)c1C ZINC001155477922 811068406 /nfs/dbraw/zinc/06/84/06/811068406.db2.gz OUGHFJGAARSGIN-CYBMUJFWSA-N 0 3 288.391 2.077 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H](C2CCCC2)C1 ZINC001122505144 815419071 /nfs/dbraw/zinc/41/90/71/815419071.db2.gz XHYADKWGYFOECU-LSDHHAIUSA-N 0 3 277.412 2.436 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC001040330268 811102157 /nfs/dbraw/zinc/10/21/57/811102157.db2.gz FZFUZGYNZICVDI-KRWDZBQOSA-N 0 3 274.408 2.124 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2oc(C)nc2C)C1 ZINC001086333874 811105489 /nfs/dbraw/zinc/10/54/89/811105489.db2.gz XZLHCJUKQKBRFU-HAQNSBGRSA-N 0 3 297.786 2.142 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H](F)C2)C1 ZINC001086458175 811150260 /nfs/dbraw/zinc/15/02/60/811150260.db2.gz GOVDHNKDFAIATF-FVCCEPFGSA-N 0 3 288.794 2.362 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)C(F)=C3CCCC3)C2)C1 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CC(=O)N1CC[C@@H]2CCN(Cc3cccc(C#N)c3)[C@@H]2C1 ZINC001041859771 811197884 /nfs/dbraw/zinc/19/78/84/811197884.db2.gz RICMMNZBLFZPQY-IAGOWNOFSA-N 0 3 283.375 2.001 20 30 CEEDHN CC(=O)N1CC[C@H]2CCN(Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC001041865655 811200728 /nfs/dbraw/zinc/20/07/28/811200728.db2.gz BJEQABQGRWTDST-DLBZAZTESA-N 0 3 283.375 2.001 20 30 CEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)C(C)(F)F)C[C@@H]21 ZINC001041888738 811205414 /nfs/dbraw/zinc/20/54/14/811205414.db2.gz UCUUGCRYKAWRNQ-RYUDHWBXSA-N 0 3 272.339 2.141 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)C3CCCC3)C[C@@H]21 ZINC001041891921 811207200 /nfs/dbraw/zinc/20/72/00/811207200.db2.gz UOZYNKJXMUQJNG-HOCLYGCPSA-N 0 3 274.408 2.123 20 30 CEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3cc(C)on3)C[C@@H]21 ZINC001041914466 811215258 /nfs/dbraw/zinc/21/52/58/811215258.db2.gz BVSVSVGIZKIHHH-ZFWWWQNUSA-N 0 3 289.379 2.096 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(Cl)c[nH]3)C[C@H]21 ZINC001041937498 811219656 /nfs/dbraw/zinc/21/96/56/811219656.db2.gz 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/nfs/dbraw/zinc/37/18/39/811371839.db2.gz CCCIVBIDUSRTBU-SFHVURJKSA-N 0 3 286.419 2.233 20 30 CEEDHN C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC)CC1 ZINC001095968476 811433278 /nfs/dbraw/zinc/43/32/78/811433278.db2.gz ZYARFYIESKWPAS-ILXRZTDVSA-N 0 3 262.397 2.474 20 30 CEEDHN C[C@H](CCCC#N)N1CC(N2CCC(F)(F)CC2)C1 ZINC001172499954 815455044 /nfs/dbraw/zinc/45/50/44/815455044.db2.gz HJMLRSZIILXUDL-GFCCVEGCSA-N 0 3 271.355 2.484 20 30 CEEDHN C[C@H](CCCC#N)N1CCN(CCc2ccncc2)CC1 ZINC001172507383 815457525 /nfs/dbraw/zinc/45/75/25/815457525.db2.gz SCIHYXBNXMJIPL-MRXNPFEDSA-N 0 3 286.423 2.324 20 30 CEEDHN Cc1cc(N2CCN([C@@H](C)CCCC#N)CC2)nc(C)n1 ZINC001172507132 815457756 /nfs/dbraw/zinc/45/77/56/815457756.db2.gz PQIKGRMBVQGBOE-AWEZNQCLSA-N 0 3 287.411 2.298 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC001045402130 811607096 /nfs/dbraw/zinc/60/70/96/811607096.db2.gz XVXQAPBASPHCTO-FICVDOATSA-N 0 3 274.408 2.027 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2csnc2C)CC1 ZINC001045411888 811608693 /nfs/dbraw/zinc/60/86/93/811608693.db2.gz ZTDJOJLVBIZZJX-UHFFFAOYSA-N 0 3 279.409 2.222 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cc(C)sn2)CC1 ZINC001045418413 811609932 /nfs/dbraw/zinc/60/99/32/811609932.db2.gz RHKMIAFEJIWFCJ-UHFFFAOYSA-N 0 3 279.409 2.222 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)c2cc[nH]c2C2CC2)CC1 ZINC001045538609 811623971 /nfs/dbraw/zinc/62/39/71/811623971.db2.gz NILRCFNYKBGTOJ-UHFFFAOYSA-N 0 3 299.418 2.500 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1ccco1)C2 ZINC001045908799 811663056 /nfs/dbraw/zinc/66/30/56/811663056.db2.gz JEJDKMOREHGSPL-QGZVFWFLSA-N 0 3 286.375 2.231 20 30 CEEDHN COC(=O)[C@@H]1CCC[C@H](NC(=N)c2ccc(Cl)cn2)C1 ZINC001172591944 815467001 /nfs/dbraw/zinc/46/70/01/815467001.db2.gz DLDPNIZKKHNLRR-KOLCDFICSA-N 0 3 295.770 2.172 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)/C=C/C1CC1)C2 ZINC001045924663 811667027 /nfs/dbraw/zinc/66/70/27/811667027.db2.gz MMCAYJMSNPPZQX-LKGOPFMKSA-N 0 3 286.419 2.290 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](F)CC)C2 ZINC001045957812 811669248 /nfs/dbraw/zinc/66/92/48/811669248.db2.gz FXJOZLOCPZEKEX-WBVHZDCISA-N 0 3 294.414 2.462 20 30 CEEDHN N#CC1(CN[C@H]2CCCC3(C2)OCCO3)CCCC1 ZINC001169902282 811705570 /nfs/dbraw/zinc/70/55/70/811705570.db2.gz OOTQGMANXMZCLG-ZDUSSCGKSA-N 0 3 264.369 2.346 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cnccc2C)C1 ZINC001046211466 811709319 /nfs/dbraw/zinc/70/93/19/811709319.db2.gz ZJEVXFKMKPHOMO-MRXNPFEDSA-N 0 3 273.380 2.160 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccn(C(F)F)n2)C1 ZINC001046347235 811740751 /nfs/dbraw/zinc/74/07/51/811740751.db2.gz PIOWXDWTFRSIEC-AWEZNQCLSA-N 0 3 298.337 2.049 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccn3c2CCCC3)C1 ZINC001046381348 811746258 /nfs/dbraw/zinc/74/62/58/811746258.db2.gz QJVSZIKPYGZETL-GOSISDBHSA-N 0 3 299.418 2.042 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)C2CCC(=C)CC2)C1 ZINC001046594669 811781218 /nfs/dbraw/zinc/78/12/18/811781218.db2.gz MWVLHKOYOYJPMV-MRXNPFEDSA-N 0 3 262.397 2.499 20 30 CEEDHN C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCCF ZINC001109080314 811819620 /nfs/dbraw/zinc/81/96/20/811819620.db2.gz QNLVTNGOAMWXAB-CRWXNKLISA-N 0 3 281.375 2.007 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001046812395 811823378 /nfs/dbraw/zinc/82/33/78/811823378.db2.gz XDFSRTLEUUCSOC-GOSISDBHSA-N 0 3 297.402 2.177 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)C=C)C2 ZINC001109342959 811862782 /nfs/dbraw/zinc/86/27/82/811862782.db2.gz CCVCDGUHCULSRH-ILXRZTDVSA-N 0 3 274.408 2.334 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CC(F)F)C2 ZINC001109391204 811881066 /nfs/dbraw/zinc/88/10/66/811881066.db2.gz VNFAJJBXQXHFDQ-CRWXNKLISA-N 0 3 298.377 2.413 20 30 CEEDHN CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC#Cc1ccccc1 ZINC001048489580 811980144 /nfs/dbraw/zinc/98/01/44/811980144.db2.gz JMYRXGCZPLUAPN-REPLKXPHSA-N 0 3 296.414 2.417 20 30 CEEDHN Cc1cc(C#N)c(N2C[C@H]3CCCN(C)[C@@H]3C2)nc1C ZINC001157266036 812062914 /nfs/dbraw/zinc/06/29/14/812062914.db2.gz 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/nfs/dbraw/zinc/13/81/88/812138188.db2.gz MHXHZMBYEKNJKO-UHFFFAOYSA-N 0 3 256.284 2.163 20 30 CEEDHN CCn1ccnc1C(C#N)C(=O)C[C@H]1CCCCO1 ZINC001123337567 815505141 /nfs/dbraw/zinc/50/51/41/815505141.db2.gz HHYMPKBQFDAECS-VXGBXAGGSA-N 0 3 261.325 2.038 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)/C=C/c1ccc[nH]1 ZINC001049440690 812146118 /nfs/dbraw/zinc/14/61/18/812146118.db2.gz UUCPEACNEATTFN-PIIXRYACSA-N 0 3 297.402 2.117 20 30 CEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC2CC2)C1 ZINC001086571269 812148011 /nfs/dbraw/zinc/14/80/11/812148011.db2.gz NZWUAWNFZUULSB-ZWKOTPCHSA-N 0 3 296.414 2.394 20 30 CEEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1conc1C ZINC001049681946 812188167 /nfs/dbraw/zinc/18/81/67/812188167.db2.gz BTMXDIUYGPLIRI-CABCVRRESA-N 0 3 289.379 2.238 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(CC)CC1 ZINC001049705157 812195093 /nfs/dbraw/zinc/19/50/93/812195093.db2.gz SEBXJLPYEQMZNX-KGLIPLIRSA-N 0 3 262.397 2.428 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(CC)on1 ZINC001049849606 812219180 /nfs/dbraw/zinc/21/91/80/812219180.db2.gz VTMJPBPRANGNPU-HUUCEWRRSA-N 0 3 289.379 2.102 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)C[C@@H]3C=CCC3)[C@@H]2C1 ZINC001049965542 812244975 /nfs/dbraw/zinc/24/49/75/812244975.db2.gz SKYOXIGDQZHMJN-OWCLPIDISA-N 0 3 274.408 2.452 20 30 CEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCn2cccc2)CC1 ZINC001113455524 812246125 /nfs/dbraw/zinc/24/61/25/812246125.db2.gz LWHBAGXNLZIAAG-MRXNPFEDSA-N 0 3 289.423 2.377 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cc(CC)ccn3)[C@@H]2C1 ZINC001050056571 812256706 /nfs/dbraw/zinc/25/67/06/812256706.db2.gz ZQFSNIYDWNRNSF-DOTOQJQBSA-N 0 3 299.418 2.366 20 30 CEEDHN CCOC(=O)C1(C#N)CCN([C@H]2CC[C@@H](C)C2)CC1 ZINC001170150266 812267178 /nfs/dbraw/zinc/26/71/78/812267178.db2.gz NMVUREOOIIMYER-OLZOCXBDSA-N 0 3 264.369 2.344 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC(C)C1)C2 ZINC001096937480 812299377 /nfs/dbraw/zinc/29/93/77/812299377.db2.gz HZHBVLVEMXKQEL-ODGNXRKOSA-N 0 3 262.397 2.330 20 30 CEEDHN CCOC(=O)[C@H](C#N)Nc1ccc2cnc(C)cc2c1 ZINC001170371051 812398490 /nfs/dbraw/zinc/39/84/90/812398490.db2.gz PCHCJCUMVAKGFS-AWEZNQCLSA-N 0 3 269.304 2.410 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(C)n1)C2 ZINC001097708434 812407138 /nfs/dbraw/zinc/40/71/38/812407138.db2.gz CFJWCBXJTVCQFW-BZPMIXESSA-N 0 3 291.420 2.363 20 30 CEEDHN COC(=O)[C@@H]1CCC[C@H](NCc2ncc(C#N)s2)CC1 ZINC001172797107 815531248 /nfs/dbraw/zinc/53/12/48/815531248.db2.gz GKZALPOZPGQFQX-MNOVXSKESA-N 0 3 293.392 2.226 20 30 CEEDHN C=CCn1cccc1C(=O)NCCNCc1ccsc1 ZINC001129502569 812497314 /nfs/dbraw/zinc/49/73/14/812497314.db2.gz JDCRBZJKMBWBOW-UHFFFAOYSA-N 0 3 289.404 2.255 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2ccc(OC(F)F)nc2)C1 ZINC001254644296 812523114 /nfs/dbraw/zinc/52/31/14/812523114.db2.gz RHCPPGCHDYRIAS-KOLCDFICSA-N 0 3 267.279 2.465 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)CC1CCC1)C2 ZINC001054110042 812539685 /nfs/dbraw/zinc/53/96/85/812539685.db2.gz WQQXVKSPMKVGML-KRWDZBQOSA-N 0 3 274.408 2.124 20 30 CEEDHN N#Cc1cccc(CNCCNC(=O)[C@@H]2CCCC23CC3)c1 ZINC001130208243 812544236 /nfs/dbraw/zinc/54/42/36/812544236.db2.gz GUSLZWMWOSQDGW-INIZCTEOSA-N 0 3 297.402 2.344 20 30 CEEDHN C=CCOCc1cccc(N[C@@H](C)[C@@H]2CNCCO2)c1 ZINC001170574161 812695616 /nfs/dbraw/zinc/69/56/16/812695616.db2.gz MEUFMLXMCIPMEA-BBRMVZONSA-N 0 3 276.380 2.178 20 30 CEEDHN C=CCOCc1cccc(N[C@H](C)[C@H]2CNCCO2)c1 ZINC001170574165 812696366 /nfs/dbraw/zinc/69/63/66/812696366.db2.gz MEUFMLXMCIPMEA-CZUORRHYSA-N 0 3 276.380 2.178 20 30 CEEDHN C#CCCCC(=O)N[C@H]1CC[C@@H](C)N(CCOC(C)C)C1 ZINC001131996178 812768668 /nfs/dbraw/zinc/76/86/68/812768668.db2.gz RGDBIHXBPLQOLY-CVEARBPZSA-N 0 3 294.439 2.184 20 30 CEEDHN C#CCCN1C[C@@H]2CCCN(C(=O)[C@@H](CC)SC)[C@@H]2C1 ZINC001050024469 812771750 /nfs/dbraw/zinc/77/17/50/812771750.db2.gz HFJQYBFNDNHLAB-RRFJBIMHSA-N 0 3 294.464 2.074 20 30 CEEDHN CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)N(CCOC(C)C)C1 ZINC001132025431 812772726 /nfs/dbraw/zinc/77/27/26/812772726.db2.gz PTXVOMVUUKLVEP-HZPDHXFCSA-N 0 3 294.439 2.040 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)C2(CCOC)CC2)CC[C@H]1C ZINC001132088663 812788254 /nfs/dbraw/zinc/78/82/54/812788254.db2.gz ZORUPCFIKJGYMP-CABCVRRESA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H](C)c3ccco3)[C@@H]2C1 ZINC001050137902 812788724 /nfs/dbraw/zinc/78/87/24/812788724.db2.gz IQBPPCKAFRKWNM-SOUVJXGZSA-N 0 3 288.391 2.492 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)CC)CC[C@@H]1C ZINC001132257313 812812074 /nfs/dbraw/zinc/81/20/74/812812074.db2.gz VHUAFVYEYMOTEY-KBPBESRZSA-N 0 3 264.413 2.415 20 30 CEEDHN N#Cc1ccc(F)c(-c2ccc3c(n2)OCCNC3)c1 ZINC001244556067 812834755 /nfs/dbraw/zinc/83/47/55/812834755.db2.gz ZTHSWUQQWLLUEH-UHFFFAOYSA-N 0 3 269.279 2.241 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)C[C@@H]3CCC[C@@H]3C)C2)CC1 ZINC001050532773 812836692 /nfs/dbraw/zinc/83/66/92/812836692.db2.gz XAIWUGXCDXAHAF-HOTGVXAUSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)CCOC)CC[C@H]1C ZINC001132396564 812839471 /nfs/dbraw/zinc/83/94/71/812839471.db2.gz IEYBNWVTMQSQDU-CABCVRRESA-N 0 3 294.439 2.042 20 30 CEEDHN CC1(C)CC[C@H]1C(=O)NCCNCc1cccc(C#N)c1 ZINC001132631988 812913187 /nfs/dbraw/zinc/91/31/87/812913187.db2.gz JYQZOFFCVDNYAZ-HNNXBMFYSA-N 0 3 285.391 2.200 20 30 CEEDHN C=C[C@H](CC)CC(=O)NCCNCc1cnccc1C ZINC001132667911 812921319 /nfs/dbraw/zinc/92/13/19/812921319.db2.gz WGZILGNOYFVGQH-CQSZACIVSA-N 0 3 275.396 2.198 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)c2cnc(C)s2)CC1 ZINC001052247450 812955629 /nfs/dbraw/zinc/95/56/29/812955629.db2.gz XXZNUCZKJGNFRE-ZDUSSCGKSA-N 0 3 291.420 2.059 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC001052429548 812989582 /nfs/dbraw/zinc/98/95/82/812989582.db2.gz ACYFLPRMOFWEHB-KBPBESRZSA-N 0 3 298.377 2.416 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)C2(C3CC3)CC2)CC1 ZINC001052476127 812994544 /nfs/dbraw/zinc/99/45/44/812994544.db2.gz ZWBDUIMAXUGYFV-HNNXBMFYSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)C[C@@H]2C=CCCC2)CC1 ZINC001052490665 812998715 /nfs/dbraw/zinc/99/87/15/812998715.db2.gz VYXHRUSKDZVRGF-CVEARBPZSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2cccc(C(C)C)n2)CC1 ZINC001052532507 813004516 /nfs/dbraw/zinc/00/45/16/813004516.db2.gz HRVKEWKDJLPXJL-HNNXBMFYSA-N 0 3 299.418 2.423 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001052584649 813008236 /nfs/dbraw/zinc/00/82/36/813008236.db2.gz UJEDFDMQLQYWLK-NXOAAHMSSA-N 0 3 288.435 2.417 20 30 CEEDHN CCC[C@@H]1C[C@H]1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001133536962 813101018 /nfs/dbraw/zinc/10/10/18/813101018.db2.gz IZZAEFAFOIXGSY-HZPDHXFCSA-N 0 3 285.391 2.200 20 30 CEEDHN C#CCNCCNC(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC001133762862 813149313 /nfs/dbraw/zinc/14/93/13/813149313.db2.gz HCYDHTAEALJPJU-CQSZACIVSA-N 0 3 272.392 2.082 20 30 CEEDHN C#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1nccs1 ZINC001134200522 813232625 /nfs/dbraw/zinc/23/26/25/813232625.db2.gz GCZCCXOPFUZTBF-STQMWFEESA-N 0 3 293.436 2.320 20 30 CEEDHN COC(=O)C1(C#N)CCN([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170765307 813307304 /nfs/dbraw/zinc/30/73/04/813307304.db2.gz HMNIHVZJUDBWQE-XYYAHUGASA-N 0 3 276.380 2.200 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](N3CCCCC3=O)C2)C1 ZINC000815046828 813334158 /nfs/dbraw/zinc/33/41/58/813334158.db2.gz ACDTZAUQDYQITL-ILXRZTDVSA-N 0 3 275.396 2.156 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cccc(F)c2)CC[C@@H]1C ZINC001071318698 813363391 /nfs/dbraw/zinc/36/33/91/813363391.db2.gz CHRJERLEIOBKRZ-XJKSGUPXSA-N 0 3 288.366 2.432 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2[nH]ccc2C)CC[C@@H]1C ZINC001071474739 813417723 /nfs/dbraw/zinc/41/77/23/813417723.db2.gz ULHVGJSSHFQDOF-KBPBESRZSA-N 0 3 275.396 2.482 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(CC)n2)CC[C@@H]1C ZINC001071573325 813440021 /nfs/dbraw/zinc/44/00/21/813440021.db2.gz DIOYYKYXEVBELN-HOCLYGCPSA-N 0 3 299.418 2.250 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)Cc2cnccc2C)CC[C@H]1C ZINC001071579290 813441498 /nfs/dbraw/zinc/44/14/98/813441498.db2.gz BPYCRACXJGMUHQ-ZBFHGGJFSA-N 0 3 287.407 2.088 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C2(C)CCC2)CC[C@@H]1C ZINC001071742587 813473182 /nfs/dbraw/zinc/47/31/82/813473182.db2.gz QZGJAYIXLWEGJN-KBPBESRZSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1C ZINC001071760571 813477079 /nfs/dbraw/zinc/47/70/79/813477079.db2.gz PHLACSGMIDHCAH-AALSBFMBSA-N 0 3 274.408 2.025 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cc[nH]c2C2CC2)CC[C@H]1C ZINC001071772320 813481435 /nfs/dbraw/zinc/48/14/35/813481435.db2.gz IWAZZPYSWFKHBY-HIFRSBDPSA-N 0 3 299.418 2.498 20 30 CEEDHN C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)N(CCCO)C2)CC1 ZINC001071796760 813485567 /nfs/dbraw/zinc/48/55/67/813485567.db2.gz WYLDGLRURZOUSP-GOEBONIOSA-N 0 3 294.439 2.084 20 30 CEEDHN C=CCCN1C[C@H](NC(=O)c2ocnc2CC)CC[C@@H]1C ZINC001071816201 813490345 /nfs/dbraw/zinc/49/03/45/813490345.db2.gz UVOZISRNGKTYOD-QWHCGFSZSA-N 0 3 291.395 2.396 20 30 CEEDHN CC#CCNCCNC(=O)c1ccc(-c2ccccc2)nc1 ZINC001135673442 813501245 /nfs/dbraw/zinc/50/12/45/813501245.db2.gz KUAUWZCNPYGCJB-UHFFFAOYSA-N 0 3 293.370 2.091 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C2(C)CC(F)(F)C2)CC[C@H]1C ZINC001071981300 813524252 /nfs/dbraw/zinc/52/42/52/813524252.db2.gz IQBMJYDAHSHFHE-OLZOCXBDSA-N 0 3 298.377 2.414 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccc[nH]2)CC[C@H]1C ZINC001072092692 813543605 /nfs/dbraw/zinc/54/36/05/813543605.db2.gz WDFAGRWAADMEAJ-HIFRSBDPSA-N 0 3 275.396 2.102 20 30 CEEDHN CC(C)[C@H]1C[C@H]1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001136060506 813596210 /nfs/dbraw/zinc/59/62/10/813596210.db2.gz DSOVMMYNMSSWDW-HZPDHXFCSA-N 0 3 285.391 2.056 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)/C=C(/C)C3CC3)C2)C1 ZINC001072503136 813603096 /nfs/dbraw/zinc/60/30/96/813603096.db2.gz TTXMWECFVYVSOI-LCYFTJDESA-N 0 3 260.381 2.063 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)C1(C)CC(F)(F)C1 ZINC001170895327 813623081 /nfs/dbraw/zinc/62/30/81/813623081.db2.gz ZHVDVUZTODCNDO-UHFFFAOYSA-N 0 3 280.746 2.270 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3ccn4c3CCCC4)C2)C1 ZINC001072819995 813666666 /nfs/dbraw/zinc/66/66/66/813666666.db2.gz NRQCLXWGLIVMEA-UHFFFAOYSA-N 0 3 299.418 2.158 20 30 CEEDHN Cc1nc(NCCCS)cc(N2CCCC2)n1 ZINC001159870516 813691511 /nfs/dbraw/zinc/69/15/11/813691511.db2.gz ZXAAZWBLLVWFGZ-UHFFFAOYSA-N 0 3 252.387 2.117 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3C[C@@]3(C)C(C)C)C2)C1 ZINC001073094278 813723357 /nfs/dbraw/zinc/72/33/57/813723357.db2.gz NVOKXLFHDVKASD-ZBFHGGJFSA-N 0 3 276.424 2.389 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC=CCC2)C1 ZINC001098725874 813939117 /nfs/dbraw/zinc/93/91/17/813939117.db2.gz SCGOYLGACJWRJU-BQFCYCMXSA-N 0 3 286.419 2.337 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)CC(C)C)C[C@H]1C(F)(F)F ZINC001099203074 813993379 /nfs/dbraw/zinc/99/33/79/813993379.db2.gz FLRNFVQGBPTCDG-GHMZBOCLSA-N 0 3 278.318 2.197 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)[C@H](F)C(C)C)C[C@H]1C(F)(F)F ZINC001099294196 813998894 /nfs/dbraw/zinc/99/88/94/813998894.db2.gz FDHIPAJZRYUQGO-GMTAPVOTSA-N 0 3 296.308 2.145 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)CC(C)C)[C@H](O)C1 ZINC001100068765 814060701 /nfs/dbraw/zinc/06/07/01/814060701.db2.gz ATTHLHCHQPTZJG-HUUCEWRRSA-N 0 3 296.455 2.186 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2CCN(CC)C[C@@H]2O)CCCCC1 ZINC001100122848 814064198 /nfs/dbraw/zinc/06/41/98/814064198.db2.gz XLORFQRYTVUQSP-CABCVRRESA-N 0 3 294.439 2.084 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)Nc1ccc(CN)nc1 ZINC001171192604 814085756 /nfs/dbraw/zinc/08/57/56/814085756.db2.gz PAFZUIUZKWNVFR-LBPRGKRZSA-N 0 3 266.348 2.455 20 30 CEEDHN C#CCC1(C(=O)NCC2CC(NCC(=C)Cl)C2)CCC1 ZINC001100396481 814106892 /nfs/dbraw/zinc/10/68/92/814106892.db2.gz DFPGVTMMMXZPBJ-UHFFFAOYSA-N 0 3 294.826 2.417 20 30 CEEDHN COC(=O)C1CCN([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171209987 814160544 /nfs/dbraw/zinc/16/05/44/814160544.db2.gz OPVLNTDRKYKSQZ-CYBMUJFWSA-N 0 3 286.375 2.374 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN(C)[C@H](C)C1 ZINC001171224023 814189280 /nfs/dbraw/zinc/18/92/80/814189280.db2.gz OSDUKZDYEWLTHF-ZIAGYGMSSA-N 0 3 257.381 2.125 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)CCC3CCCC3)C[C@]2(C)C1 ZINC001091450040 814245563 /nfs/dbraw/zinc/24/55/63/814245563.db2.gz IZLRVXFFWSHUGG-AEFFLSMTSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C3(CCCC)CC3)C[C@]2(C)C1 ZINC001101354790 814251212 /nfs/dbraw/zinc/25/12/12/814251212.db2.gz FEMCUBZKUMLHDJ-WBVHZDCISA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C(CC)CC)C[C@]2(C)C1 ZINC001091499128 814254234 /nfs/dbraw/zinc/25/42/34/814254234.db2.gz FLEHUHABHOAYRQ-WBVHZDCISA-N 0 3 276.424 2.226 20 30 CEEDHN CC(C)C(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001101727181 814300168 /nfs/dbraw/zinc/30/01/68/814300168.db2.gz LGJHKMCDLIJLCW-SJLPKXTDSA-N 0 3 298.430 2.378 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)CCC(C)C)C1 ZINC001149124774 814453920 /nfs/dbraw/zinc/45/39/20/814453920.db2.gz NTKWDHQAMWTAJS-HNNXBMFYSA-N 0 3 282.428 2.206 20 30 CEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C(C)C)C[C@H]1C ZINC001103896879 814546470 /nfs/dbraw/zinc/54/64/70/814546470.db2.gz UZNFRCXPXVURQT-DGCLKSJQSA-N 0 3 272.820 2.469 20 30 CEEDHN Cc1cc(C#N)c(NC(=O)c2ccc(NC(=N)N)cc2)s1 ZINC001148641782 814592886 /nfs/dbraw/zinc/59/28/86/814592886.db2.gz WJZLLAQFQGXEKM-UHFFFAOYSA-N 0 3 299.359 2.486 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cccc2)C1 ZINC001111944493 814634678 /nfs/dbraw/zinc/63/46/78/814634678.db2.gz FJCWNKRDANZTOT-BQFCYCMXSA-N 0 3 299.418 2.043 20 30 CEEDHN C#CCCN[C@@H]1CN(C(=O)CCCC)C[C@H]1C(F)(F)F ZINC001112049821 814640171 /nfs/dbraw/zinc/64/01/71/814640171.db2.gz DXGHFQHSJOVFBZ-VXGBXAGGSA-N 0 3 290.329 2.179 20 30 CEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C3CC3)C2)CC1 ZINC001086896132 814644951 /nfs/dbraw/zinc/64/49/51/814644951.db2.gz CUHMXRRBNNWWFA-CQSZACIVSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC34CC4)C2)CC1 ZINC001086945061 814652818 /nfs/dbraw/zinc/65/28/18/814652818.db2.gz QJAQSUOMIDHRQC-CABCVRRESA-N 0 3 286.419 2.123 20 30 CEEDHN CN1CCN(C(=O)c2cccc(C#N)c2)CCC1(C)C ZINC000712620691 814757434 /nfs/dbraw/zinc/75/74/34/814757434.db2.gz ATNWHUMWVWSNGO-UHFFFAOYSA-N 0 3 271.364 2.115 20 30 CEEDHN C=CCO[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC001116576280 814867260 /nfs/dbraw/zinc/86/72/60/814867260.db2.gz UGJLJTUFDLETMS-CQSZACIVSA-N 0 3 277.364 2.481 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2cc3ccccc3o2)[C@H](C)C1 ZINC001093178134 814877322 /nfs/dbraw/zinc/87/73/22/814877322.db2.gz VLDFYYNFZGYIAS-UKRRQHHQSA-N 0 3 296.370 2.364 20 30 CEEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(CC(=C)C)CCCO1 ZINC001150160331 815628095 /nfs/dbraw/zinc/62/80/95/815628095.db2.gz ZBLLYHYFHCSYLM-JKSUJKDBSA-N 0 3 294.439 2.372 20 30 CEEDHN C#CCN1CCN([C@@H](C)Cc2ccc(CC)cc2)CC1 ZINC001173242581 815651863 /nfs/dbraw/zinc/65/18/63/815651863.db2.gz GUOPBARZTPSXAS-INIZCTEOSA-N 0 3 270.420 2.431 20 30 CEEDHN C#CCN1CCN([C@H](C)Cc2ccc(CC)cc2)CC1 ZINC001173242582 815652119 /nfs/dbraw/zinc/65/21/19/815652119.db2.gz GUOPBARZTPSXAS-MRXNPFEDSA-N 0 3 270.420 2.431 20 30 CEEDHN COc1ncnc(OC)c1CNC1CCC(CC#N)CC1 ZINC001173327702 815677943 /nfs/dbraw/zinc/67/79/43/815677943.db2.gz GOXKXCJWCSHODE-UHFFFAOYSA-N 0 3 290.367 2.056 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)o1)C2 ZINC001095145010 815713135 /nfs/dbraw/zinc/71/31/35/815713135.db2.gz IXJGYRAQQRUKIH-RDBSUJKOSA-N 0 3 274.364 2.499 20 30 CEEDHN CC1(C#N)CCC(N2CCN(c3ccncn3)CC2)CC1 ZINC001173598167 815756740 /nfs/dbraw/zinc/75/67/40/815756740.db2.gz NPKNINCYFSRKQI-UHFFFAOYSA-N 0 3 285.395 2.071 20 30 CEEDHN Cc1cnc(N2CCN(C3CCC(C)(C#N)CC3)CC2)nc1 ZINC001173597416 815756986 /nfs/dbraw/zinc/75/69/86/815756986.db2.gz SHHUUJJNXSVIIN-UHFFFAOYSA-N 0 3 299.422 2.380 20 30 CEEDHN C#CCN(C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138339934 815770375 /nfs/dbraw/zinc/77/03/75/815770375.db2.gz NCABVAPZJYJVPL-UHFFFAOYSA-N 0 3 270.376 2.156 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1[O-] ZINC001138624297 815846994 /nfs/dbraw/zinc/84/69/94/815846994.db2.gz BVJVNFYVJPWNNO-IUODEOHRSA-N 0 3 261.365 2.323 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c1[O-] ZINC001138624297 815846999 /nfs/dbraw/zinc/84/69/99/815846999.db2.gz BVJVNFYVJPWNNO-IUODEOHRSA-N 0 3 261.365 2.323 20 30 CEEDHN CCC1(CN2CCN(c3ccccc3C#N)CC2)COC1 ZINC001202911930 815997198 /nfs/dbraw/zinc/99/71/98/815997198.db2.gz LORPHVGDGBCWQA-UHFFFAOYSA-N 0 3 285.391 2.107 20 30 CEEDHN CC(=O)N(C)[C@H]1CCN(Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139707357 816091928 /nfs/dbraw/zinc/09/19/28/816091928.db2.gz XOMIAWJMGBHYAN-HNNXBMFYSA-N 0 3 296.374 2.092 20 30 CEEDHN C=CCn1cc(CN2CC[C@H](c3ccccn3)C2)cn1 ZINC001139770176 816110186 /nfs/dbraw/zinc/11/01/86/816110186.db2.gz GHAYMAZLKQMYFZ-HNNXBMFYSA-N 0 3 268.364 2.454 20 30 CEEDHN Cc1ccc([C@H](C)NC(=O)[C@H](N)CCCC#N)s1 ZINC000691576776 816126390 /nfs/dbraw/zinc/12/63/90/816126390.db2.gz YVLICAMVJKAGBA-WDEREUQCSA-N 0 3 265.382 2.255 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCCS1 ZINC001139869292 816131265 /nfs/dbraw/zinc/13/12/65/816131265.db2.gz DOZFZQWYECJJBY-ZDUSSCGKSA-N 0 3 270.442 2.238 20 30 CEEDHN CCN1CCN(Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140110311 816192220 /nfs/dbraw/zinc/19/22/20/816192220.db2.gz DZYHWEODCHHSLM-UHFFFAOYSA-N 0 3 268.364 2.177 20 30 CEEDHN C[C@H]1CN(Cc2ccc(C#N)cc2F)CCC[C@@H]1O ZINC001140136270 816199338 /nfs/dbraw/zinc/19/93/38/816199338.db2.gz RUIUMBAWSFFUBB-NHYWBVRUSA-N 0 3 262.328 2.290 20 30 CEEDHN CN1CCC=C(n2cc(C#N)c3ccc(N)cc32)C1 ZINC001175578261 816243056 /nfs/dbraw/zinc/24/30/56/816243056.db2.gz JMPJFIMIZHSIBU-UHFFFAOYSA-N 0 3 252.321 2.272 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1sc(C)nc1C ZINC001175613058 816253579 /nfs/dbraw/zinc/25/35/79/816253579.db2.gz WEEIRNCPGQCRSM-UHFFFAOYSA-N 0 3 287.816 2.222 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)CCOc1ccccc1 ZINC001175963098 816308008 /nfs/dbraw/zinc/30/80/08/816308008.db2.gz OAZWKZGFWJOTLJ-UHFFFAOYSA-N 0 3 296.798 2.304 20 30 CEEDHN C[C@H](CC(F)(F)F)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000838790104 816552580 /nfs/dbraw/zinc/55/25/80/816552580.db2.gz DLMQZPXFSGZMSF-BDAKNGLRSA-N 0 3 299.252 2.317 20 30 CEEDHN N#CC(Cc1cccs1)C(=O)Nc1ncccc1N ZINC001177904351 816640951 /nfs/dbraw/zinc/64/09/51/816640951.db2.gz OPYXSPBMTIQTEB-SECBINFHSA-N 0 3 272.333 2.046 20 30 CEEDHN C[C@H](C#N)C(=O)NCCCCCCNCc1cscn1 ZINC001178060422 816667612 /nfs/dbraw/zinc/66/76/12/816667612.db2.gz ZXYZQEQLFQTIET-GFCCVEGCSA-N 0 3 294.424 2.069 20 30 CEEDHN C=CCCC(=O)N1CC[C@H](NCc2cncc(F)c2)[C@@H]1C ZINC001178324140 816726367 /nfs/dbraw/zinc/72/63/67/816726367.db2.gz JIGOFYRIVKYWEF-WFASDCNBSA-N 0 3 291.370 2.266 20 30 CEEDHN C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001179303499 816848107 /nfs/dbraw/zinc/84/81/07/816848107.db2.gz FMUDHKMLBUUAFP-ATLSCFEFSA-N 0 3 296.414 2.273 20 30 CEEDHN C#CCNCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC001149583432 816881084 /nfs/dbraw/zinc/88/10/84/816881084.db2.gz KWHAVYOSCOWSMJ-UHFFFAOYSA-N 0 3 278.355 2.306 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C(C)=C2CCC2)C1 ZINC001149681408 816889991 /nfs/dbraw/zinc/88/99/91/816889991.db2.gz KUPSNMNVQGNVHG-INIZCTEOSA-N 0 3 292.423 2.270 20 30 CEEDHN C=CCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000121164860 365531079 /nfs/dbraw/zinc/53/10/79/365531079.db2.gz RMOIMSFEFYIZLX-UHFFFAOYSA-N 0 3 293.323 2.050 20 30 CEEDHN C=CCC(CC=C)C(=O)NC[C@H]1CCCN1CC ZINC000121460973 365571982 /nfs/dbraw/zinc/57/19/82/365571982.db2.gz PXZKNXJFHIDTAZ-CQSZACIVSA-N 0 3 250.386 2.355 20 30 CEEDHN COC[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000124757017 187152347 /nfs/dbraw/zinc/15/23/47/187152347.db2.gz HZIXIABLWVHUSZ-LLVKDONJSA-N 0 3 250.367 2.478 20 30 CEEDHN C#CCN(C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)C1CCCC1 ZINC000124298486 365648391 /nfs/dbraw/zinc/64/83/91/365648391.db2.gz PVIMIRIRKYSJIF-ZIAGYGMSSA-N 0 3 289.423 2.199 20 30 CEEDHN CCN(CCC#N)C(=O)CN1C[C@@H](C)CCC[C@@H]1C ZINC000125195112 365667886 /nfs/dbraw/zinc/66/78/86/365667886.db2.gz FNUGISCJSHTXPS-KBPBESRZSA-N 0 3 265.401 2.259 20 30 CEEDHN CN1CCC[C@]2(CCN(C(=O)c3ccccc3CC#N)C2)C1 ZINC000601609263 346860474 /nfs/dbraw/zinc/86/04/74/346860474.db2.gz VICDMFAZZQEHRU-SFHVURJKSA-N 0 3 297.402 2.311 20 30 CEEDHN CCOC(=O)[C@@H]1CC[C@H](NCc2cc(C#N)cs2)C1 ZINC000125818860 365687443 /nfs/dbraw/zinc/68/74/43/365687443.db2.gz LQMGQCWBRKTABM-NEPJUHHUSA-N 0 3 278.377 2.441 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccccc1CC#N ZINC000601664271 346873097 /nfs/dbraw/zinc/87/30/97/346873097.db2.gz KTMLMZRUMHVWPR-CQSZACIVSA-N 0 3 285.391 2.355 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)C(C#N)CCc2ccccc2)[C@H](C)O1 ZINC000601771465 346894669 /nfs/dbraw/zinc/89/46/69/346894669.db2.gz UCIUSMUJUBSCBX-CLWVCHIJSA-N 0 3 286.375 2.441 20 30 CEEDHN C=C(C)[C@H](CO)N1CCN(CC2CCCCC2)CC1 ZINC000677047484 539183145 /nfs/dbraw/zinc/18/31/45/539183145.db2.gz BZJDWTYXJJNXJB-INIZCTEOSA-N 0 3 266.429 2.121 20 30 CEEDHN CN1CCC(n2cc(NC(=O)CCCCC#N)cn2)CC1 ZINC000601779393 346895852 /nfs/dbraw/zinc/89/58/52/346895852.db2.gz RAKWZKVPHKMQBS-UHFFFAOYSA-N 0 3 289.383 2.172 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1cc(C#N)ccc1OC ZINC000338296309 214503351 /nfs/dbraw/zinc/50/33/51/214503351.db2.gz NESBYICDMKGVPT-NWDGAFQWSA-N 0 3 290.363 2.244 20 30 CEEDHN CCC1(CC)[C@H](OC)C[C@H]1N(C)CC#CCOC ZINC000677819321 539269928 /nfs/dbraw/zinc/26/99/28/539269928.db2.gz XSXTXEKRRGNKJD-ZIAGYGMSSA-N 0 3 253.386 2.162 20 30 CEEDHN COCC#CCN1CCN(Cc2ccccc2)CC[C@H]1C ZINC000677820215 539270317 /nfs/dbraw/zinc/27/03/17/539270317.db2.gz JIRRZOXQTRCOKM-QGZVFWFLSA-N 0 3 286.419 2.233 20 30 CEEDHN C=CCC[C@H](O)CN1CCCN(C(=O)OCC(C)C)CC1 ZINC000126213295 365701752 /nfs/dbraw/zinc/70/17/52/365701752.db2.gz TZCBNIAOEPDDPC-HNNXBMFYSA-N 0 3 298.427 2.114 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@](C)(CC)C(F)(F)F)CC1 ZINC000080939723 344028717 /nfs/dbraw/zinc/02/87/17/344028717.db2.gz XEOONSNNSKKZAC-ZDUSSCGKSA-N 0 3 290.329 2.179 20 30 CEEDHN Cc1cccnc1NC(=O)[C@@H]1CCCN(CCCC#N)C1 ZINC000080928788 344028777 /nfs/dbraw/zinc/02/87/77/344028777.db2.gz ZBQHDFKGCPRHSN-CQSZACIVSA-N 0 3 286.379 2.344 20 30 CEEDHN CCc1nc(C(=O)N[C@@H](C)C2=CCN(C)CC2)co1 ZINC000330109544 529704991 /nfs/dbraw/zinc/70/49/91/529704991.db2.gz PHTNZUYMMSXZII-JTQLQIEISA-N 0 3 263.341 2.192 20 30 CEEDHN CC(C)[C@H](C)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000030970071 343406317 /nfs/dbraw/zinc/40/63/17/343406317.db2.gz ORHYJLQPGBOSDB-ZDUSSCGKSA-N 0 3 265.401 2.305 20 30 CEEDHN C[C@@H]1C[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047010852 343509572 /nfs/dbraw/zinc/50/95/72/343509572.db2.gz OQCRMAFSAJJQKH-CJNGLKHVSA-N 0 3 285.391 2.104 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](CC)C1 ZINC000048058378 343525357 /nfs/dbraw/zinc/52/53/57/343525357.db2.gz YOSWOEGQGYELRN-CQSZACIVSA-N 0 3 250.386 2.309 20 30 CEEDHN Cc1ncc([C@@H](C)NC[C@@H](O)CC(C)(C)C#N)s1 ZINC000601966525 346945267 /nfs/dbraw/zinc/94/52/67/346945267.db2.gz CAZNYHVAKPODEK-KOLCDFICSA-N 0 3 267.398 2.403 20 30 CEEDHN C#CCN(CC)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000056532793 343617976 /nfs/dbraw/zinc/61/79/76/343617976.db2.gz VTLKFZZLNSPIDB-KRWDZBQOSA-N 0 3 299.418 2.488 20 30 CEEDHN C#CCN(CC)C(=O)NCCCN(C)Cc1ccccc1 ZINC000056574920 343618381 /nfs/dbraw/zinc/61/83/81/343618381.db2.gz GQLRTUOAEXQYGI-UHFFFAOYSA-N 0 3 287.407 2.173 20 30 CEEDHN C[C@@H](CNCc1cccc(F)c1C#N)N(C)C1CC1 ZINC000601997694 346953481 /nfs/dbraw/zinc/95/34/81/346953481.db2.gz BGLNSCUQCMCWSY-NSHDSACASA-N 0 3 261.344 2.270 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000069353850 343786485 /nfs/dbraw/zinc/78/64/85/343786485.db2.gz DDZLAWFBNKAKLY-QLFBSQMISA-N 0 3 282.428 2.347 20 30 CEEDHN CCCCN(C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000069875688 343792003 /nfs/dbraw/zinc/79/20/03/343792003.db2.gz YAWKQLRZKWLZBC-OCCSQVGLSA-N 0 3 253.390 2.161 20 30 CEEDHN CC[C@](C)(C#N)NC(=O)c1cccc(CN(C)C)c1 ZINC000073225375 343824905 /nfs/dbraw/zinc/82/49/05/343824905.db2.gz JILQNTSBCRRHOL-OAHLLOKOSA-N 0 3 259.353 2.170 20 30 CEEDHN CC(C#N)C(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602187719 346990955 /nfs/dbraw/zinc/99/09/55/346990955.db2.gz VVYVDHRKENFMQU-GFCCVEGCSA-N 0 3 282.347 2.121 20 30 CEEDHN CN(C)CCN1CCC(Nc2cccc(F)c2C#N)CC1 ZINC000075669292 343861917 /nfs/dbraw/zinc/86/19/17/343861917.db2.gz ZAXPJNNUNHLOIV-UHFFFAOYSA-N 0 3 290.386 2.135 20 30 CEEDHN C=CCN1CCC(C(=O)Nc2cccc(C)n2)CC1 ZINC000077185756 343909608 /nfs/dbraw/zinc/90/96/08/343909608.db2.gz GHIAIUIYZQSUEH-UHFFFAOYSA-N 0 3 259.353 2.227 20 30 CEEDHN C=CCN1CCC(C(=O)Nc2ncccc2C)CC1 ZINC000077375012 343918575 /nfs/dbraw/zinc/91/85/75/343918575.db2.gz OSKOFFOWCWIWKT-UHFFFAOYSA-N 0 3 259.353 2.227 20 30 CEEDHN CC(C)CN1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000048331144 362255573 /nfs/dbraw/zinc/25/55/73/362255573.db2.gz TXAYXJZPXFWFJR-UHFFFAOYSA-N 0 3 287.407 2.211 20 30 CEEDHN CN(CCOc1ccc(C#N)cc1)C[C@@H]1CCCCO1 ZINC000048554537 362284283 /nfs/dbraw/zinc/28/42/83/362284283.db2.gz BKGPZZUHVIJOTG-INIZCTEOSA-N 0 3 274.364 2.438 20 30 CEEDHN C=CC[C@@H](C)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000081410840 344049793 /nfs/dbraw/zinc/04/97/93/344049793.db2.gz CGAJUICUDJSFJX-CQSZACIVSA-N 0 3 280.412 2.102 20 30 CEEDHN C=CCCC[C@H](C)N1CCN(c2cnccn2)CC1 ZINC000091509496 344166577 /nfs/dbraw/zinc/16/65/77/344166577.db2.gz IOZLRAJNCNFIBK-AWEZNQCLSA-N 0 3 260.385 2.343 20 30 CEEDHN CN1CCC[C@@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000127131313 344328354 /nfs/dbraw/zinc/32/83/54/344328354.db2.gz PBLAOXXCRLPSEH-GFCCVEGCSA-N 0 3 277.755 2.036 20 30 CEEDHN C[C@H](CCC#N)CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000602475660 347049744 /nfs/dbraw/zinc/04/97/44/347049744.db2.gz QFGYLGMXAFLRDI-MXWKQRLJSA-N 0 3 264.291 2.314 20 30 CEEDHN CCOC(=O)CC[C@H]1CCCN(CCCC#N)C1 ZINC000162358764 344467482 /nfs/dbraw/zinc/46/74/82/344467482.db2.gz JVEWTSUOQMUNIW-CYBMUJFWSA-N 0 3 252.358 2.345 20 30 CEEDHN COC(=O)[C@@H]1CN(Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000166227343 344475956 /nfs/dbraw/zinc/47/59/56/344475956.db2.gz NUKLFQHVSUXXFA-IUODEOHRSA-N 0 3 272.348 2.108 20 30 CEEDHN C=CC1CCN(C[C@H](O)COc2ccccc2F)CC1 ZINC000171785414 344495790 /nfs/dbraw/zinc/49/57/90/344495790.db2.gz LUJSDUKGWRVJJF-AWEZNQCLSA-N 0 3 279.355 2.463 20 30 CEEDHN CC1(C)CCCN[C@@H]1C(=O)Nc1cccc(C#N)c1 ZINC000232838373 344579892 /nfs/dbraw/zinc/57/98/92/344579892.db2.gz IIFGTYAOEVKYHK-CYBMUJFWSA-N 0 3 257.337 2.275 20 30 CEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(C#N)n1 ZINC000602487706 347057265 /nfs/dbraw/zinc/05/72/65/347057265.db2.gz XWTCTLPDJICAGY-CVEARBPZSA-N 0 3 270.380 2.012 20 30 CEEDHN N#Cc1ccc(F)c(CNC2(CO)CCCCC2)c1 ZINC000053097441 362480901 /nfs/dbraw/zinc/48/09/01/362480901.db2.gz ZSKJBNGQJQXWAX-UHFFFAOYSA-N 0 3 262.328 2.482 20 30 CEEDHN CC(C)CC[C@@H](N)C(=O)NCc1ccc(CC#N)cc1 ZINC000602515104 347063907 /nfs/dbraw/zinc/06/39/07/347063907.db2.gz UGPRBNPCCJLRIC-OAHLLOKOSA-N 0 3 273.380 2.132 20 30 CEEDHN Cc1ccccc1CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000314822957 344746201 /nfs/dbraw/zinc/74/62/01/344746201.db2.gz ZMLXZBSGDPIWQW-KRWDZBQOSA-N 0 3 296.370 2.396 20 30 CEEDHN Cc1nc(C)c(CCNCc2cccc(C#N)n2)s1 ZINC000602547578 347072484 /nfs/dbraw/zinc/07/24/84/347072484.db2.gz HSKWXZLFZJGYPA-UHFFFAOYSA-N 0 3 272.377 2.359 20 30 CEEDHN N#Cc1cccc(CNC[C@H](CCO)c2ccccc2)n1 ZINC000602550382 347073511 /nfs/dbraw/zinc/07/35/11/347073511.db2.gz BVUZTGOFMYHCQH-HNNXBMFYSA-N 0 3 281.359 2.209 20 30 CEEDHN Cc1nn(C)c(C)c1C[C@@H](C)NCc1cccc(C#N)n1 ZINC000602560675 347077674 /nfs/dbraw/zinc/07/76/74/347077674.db2.gz KBRGJVDUXWBAGP-LLVKDONJSA-N 0 3 283.379 2.024 20 30 CEEDHN C[C@H](CCC#N)CN[C@@H]1CCN(c2ccccc2F)C1=O ZINC000602560061 347077688 /nfs/dbraw/zinc/07/76/88/347077688.db2.gz AXGNEBQMXKDBAX-TZMCWYRMSA-N 0 3 289.354 2.460 20 30 CEEDHN Cc1noc(C2CCC(NCc3cccc(C#N)n3)CC2)n1 ZINC000602564477 347080459 /nfs/dbraw/zinc/08/04/59/347080459.db2.gz SOBQGQATVWIPMI-UHFFFAOYSA-N 0 3 297.362 2.461 20 30 CEEDHN C[C@@H](CNCc1cccc(C#N)n1)c1ccncc1 ZINC000602562174 347078543 /nfs/dbraw/zinc/07/85/43/347078543.db2.gz IBWSKRUSRKHIQZ-LBPRGKRZSA-N 0 3 252.321 2.242 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](O)CC(F)(F)F)cc1F ZINC000404258985 344879239 /nfs/dbraw/zinc/87/92/39/344879239.db2.gz QGCMOAIRHDFPRK-JTQLQIEISA-N 0 3 276.233 2.100 20 30 CEEDHN COc1ccc([C@H](C)NC(=O)[C@@H](N)CCCC#N)cc1F ZINC000424061542 344896813 /nfs/dbraw/zinc/89/68/13/344896813.db2.gz FNQJVBSFGDTGQX-GWCFXTLKSA-N 0 3 293.342 2.033 20 30 CEEDHN C=C1CCN(C(=O)CCN(C)c2ccncc2)CC1 ZINC000543712595 344934230 /nfs/dbraw/zinc/93/42/30/344934230.db2.gz IWLJGVPPEHSVGJ-UHFFFAOYSA-N 0 3 259.353 2.087 20 30 CEEDHN N#CC1(CNC2CCN(c3nccs3)CC2)CC1 ZINC000584816600 344988987 /nfs/dbraw/zinc/98/89/87/344988987.db2.gz YAERMMIBASEPSP-UHFFFAOYSA-N 0 3 262.382 2.005 20 30 CEEDHN CN(C)CCN(C(=O)CCCCCC#N)C1CC1 ZINC000588686038 345051804 /nfs/dbraw/zinc/05/18/04/345051804.db2.gz ZSQQIAPAAFRVLZ-UHFFFAOYSA-N 0 3 251.374 2.013 20 30 CEEDHN Cc1cc(C#N)ccc1CN1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000586779360 345021161 /nfs/dbraw/zinc/02/11/61/345021161.db2.gz KQGOVHPKKSHBKA-QAPCUYQASA-N 0 3 299.418 2.162 20 30 CEEDHN C[C@H](NCCOc1ccccc1C#N)c1cnn(C)c1 ZINC000273240990 192084259 /nfs/dbraw/zinc/08/42/59/192084259.db2.gz AEEVOPSZCYNLAC-LBPRGKRZSA-N 0 3 270.336 2.021 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)CCCCCC#N ZINC000588282550 345044886 /nfs/dbraw/zinc/04/48/86/345044886.db2.gz HVUCZULMFFPMPQ-AWEZNQCLSA-N 0 3 265.401 2.451 20 30 CEEDHN CCCC(=O)NC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000590154160 345117837 /nfs/dbraw/zinc/11/78/37/345117837.db2.gz KCNVRRWUVSQCRA-OCCSQVGLSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCOCCN1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000590170144 345119363 /nfs/dbraw/zinc/11/93/63/345119363.db2.gz ASEDRMMINJEQNQ-CYBMUJFWSA-N 0 3 269.385 2.100 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCc3ccc(O)cc3CC2)C1 ZINC000590165345 345119384 /nfs/dbraw/zinc/11/93/84/345119384.db2.gz QBTIBVJECYBLCH-DOMZBBRYSA-N 0 3 256.349 2.485 20 30 CEEDHN COC(=O)[C@@H](C)N(C[C@@H](C)CCC#N)C1CCC1 ZINC000589823005 345100288 /nfs/dbraw/zinc/10/02/88/345100288.db2.gz UREYDJWVAHRYEO-NWDGAFQWSA-N 0 3 252.358 2.342 20 30 CEEDHN CC(C)CN(C(=O)CC1(C#N)CC1)C1CCN(C)CC1 ZINC000590246258 345123054 /nfs/dbraw/zinc/12/30/54/345123054.db2.gz RCTYYMFPHCAIMN-UHFFFAOYSA-N 0 3 277.412 2.259 20 30 CEEDHN C[C@H](CCC#N)CN1CCCN(CC(F)(F)F)CC1 ZINC000590593663 345148489 /nfs/dbraw/zinc/14/84/89/345148489.db2.gz WGVXTWMPNXAIBA-GFCCVEGCSA-N 0 3 277.334 2.496 20 30 CEEDHN C[C@@]1(C#N)CCCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000591359658 345244275 /nfs/dbraw/zinc/24/42/75/345244275.db2.gz BEKNIXRXVGXMQF-ZBFHGGJFSA-N 0 3 286.379 2.022 20 30 CEEDHN N#Cc1ccccc1NC(=O)CCN1CC[C@H](C(F)F)C1 ZINC000591021469 345213314 /nfs/dbraw/zinc/21/33/14/345213314.db2.gz QAVANFXWAKXYER-LBPRGKRZSA-N 0 3 293.317 2.474 20 30 CEEDHN CCN1C[C@@H](C)[C@H](Nc2ncc3c(c2C#N)CCC3)C1 ZINC000591821680 345285333 /nfs/dbraw/zinc/28/53/33/345285333.db2.gz SOHBEZAVPDJKFK-IAQYHMDHSA-N 0 3 270.380 2.194 20 30 CEEDHN CC[C@H](C)C[C@H](CO)NCc1cnc2ccc(C#N)cn12 ZINC000592374358 345346790 /nfs/dbraw/zinc/34/67/90/345346790.db2.gz BXJDYTHDTCOLBZ-GXTWGEPZSA-N 0 3 286.379 2.093 20 30 CEEDHN CN(CCc1cccs1)Cc1cnc2c(C#N)cnn2c1 ZINC000592502983 345361984 /nfs/dbraw/zinc/36/19/84/345361984.db2.gz XGXYWYUHGSKSMQ-UHFFFAOYSA-N 0 3 297.387 2.337 20 30 CEEDHN C[C@@H](NC[C@]1(O)CCSC1)c1ccc(C#N)cc1F ZINC000305805162 201811146 /nfs/dbraw/zinc/81/11/46/201811146.db2.gz GAMQURLRDOSGBZ-QMTHXVAHSA-N 0 3 280.368 2.216 20 30 CEEDHN C[C@H](CCc1ccccc1)N1CC[C@](O)(CC#N)C1 ZINC000592148085 345329178 /nfs/dbraw/zinc/32/91/78/345329178.db2.gz VUJYQENHRLQANU-GDBMZVCRSA-N 0 3 258.365 2.358 20 30 CEEDHN Cc1cc(C)cc(OCCCN2CC[C@](O)(CC#N)C2)c1 ZINC000592147365 345329622 /nfs/dbraw/zinc/32/96/22/345329622.db2.gz KOBSOCOHMNHQPW-QGZVFWFLSA-N 0 3 288.391 2.423 20 30 CEEDHN Cc1cccc(CCCN2CC[C@](O)(CC#N)C2)c1 ZINC000592151563 345331059 /nfs/dbraw/zinc/33/10/59/345331059.db2.gz NOCFEGFWZWTOSS-MRXNPFEDSA-N 0 3 258.365 2.278 20 30 CEEDHN Cc1cncc(CCNC2(c3cccc(C#N)c3)CC2)n1 ZINC000593018957 345424462 /nfs/dbraw/zinc/42/44/62/345424462.db2.gz HGQFLHDEDYWALZ-UHFFFAOYSA-N 0 3 278.359 2.478 20 30 CEEDHN C[C@H](CO)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593085904 345435983 /nfs/dbraw/zinc/43/59/83/345435983.db2.gz ZJNWNCWJQRNGOV-CYBMUJFWSA-N 0 3 258.365 2.399 20 30 CEEDHN CCCCN1CCCC[C@@H]1CNC(=O)[C@H](C#N)CC ZINC000593444648 345488238 /nfs/dbraw/zinc/48/82/38/345488238.db2.gz SLHBFEORVICFGF-UONOGXRCSA-N 0 3 265.401 2.307 20 30 CEEDHN CC[C@@H](C#N)C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000593468028 345492662 /nfs/dbraw/zinc/49/26/62/345492662.db2.gz RWLHKAHJYJVFDC-ZDUSSCGKSA-N 0 3 265.401 2.115 20 30 CEEDHN CC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000057757696 362595058 /nfs/dbraw/zinc/59/50/58/362595058.db2.gz CKXUEYNKUWAIMI-MRXNPFEDSA-N 0 3 281.359 2.499 20 30 CEEDHN CCC(C#N)C(=O)N(CC(=O)OC(C)(C)C)C(C)C ZINC000593570322 345507918 /nfs/dbraw/zinc/50/79/18/345507918.db2.gz CKCDJEFTPSAURK-LLVKDONJSA-N 0 3 268.357 2.115 20 30 CEEDHN CCC(C#N)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)OC ZINC000593568550 345508107 /nfs/dbraw/zinc/50/81/07/345508107.db2.gz JDQFAKHYPRGGMU-JSGCOSHPSA-N 0 3 288.347 2.126 20 30 CEEDHN CC[C@H](C#N)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000593410542 345479261 /nfs/dbraw/zinc/47/92/61/345479261.db2.gz UBYZBQMBTWENDO-MRXNPFEDSA-N 0 3 299.418 2.359 20 30 CEEDHN CC(C)N1CCCN(C(=O)NCC2(C#N)CCCC2)CC1 ZINC000593428299 345483508 /nfs/dbraw/zinc/48/35/08/345483508.db2.gz VTRWFKPUPROSDG-UHFFFAOYSA-N 0 3 292.427 2.196 20 30 CEEDHN C[C@H](COCC1CC1)NCc1cnc2ccc(C#N)cn12 ZINC000593681752 345520050 /nfs/dbraw/zinc/52/00/50/345520050.db2.gz IVRZAFMNRZVGET-GFCCVEGCSA-N 0 3 284.363 2.111 20 30 CEEDHN CC[C@@H](N[C@@H](CO)CCF)c1ccc(C#N)cc1 ZINC000593718572 345526687 /nfs/dbraw/zinc/52/66/87/345526687.db2.gz KAUYGGSYPHCYLI-ZIAGYGMSSA-N 0 3 250.317 2.319 20 30 CEEDHN CC[C@@H](C#N)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000593744371 345531571 /nfs/dbraw/zinc/53/15/71/345531571.db2.gz QRMSDADALVHLFU-NSHDSACASA-N 0 3 263.316 2.376 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](C3CCOCC3)C2)nc1 ZINC000593967860 345557621 /nfs/dbraw/zinc/55/76/21/345557621.db2.gz GOUSRJIOYJULBX-HNNXBMFYSA-N 0 3 271.364 2.202 20 30 CEEDHN C[C@@H](c1ccccc1)[C@H](CO)NCc1ccc(C#N)cn1 ZINC000593974417 345558475 /nfs/dbraw/zinc/55/84/75/345558475.db2.gz YRZLNISKCZFLJZ-GUYCJALGSA-N 0 3 281.359 2.207 20 30 CEEDHN COCCOCCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594030990 345569480 /nfs/dbraw/zinc/56/94/80/345569480.db2.gz COIOYACMROBWTG-UHFFFAOYSA-N 0 3 274.364 2.190 20 30 CEEDHN C[C@H](CO)C1CCN(Cc2cc(C#N)cs2)CC1 ZINC000593675932 345519437 /nfs/dbraw/zinc/51/94/37/345519437.db2.gz FDPDUBRUTDPPPI-LLVKDONJSA-N 0 3 264.394 2.460 20 30 CEEDHN CCN1CCC(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000594216898 345599179 /nfs/dbraw/zinc/59/91/79/345599179.db2.gz XSDGZZMXCZVSSR-CQSZACIVSA-N 0 3 299.418 2.337 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CCCCC#N)CC1 ZINC000594289429 345609244 /nfs/dbraw/zinc/60/92/44/345609244.db2.gz BPVALCRLLQFYQM-UHFFFAOYSA-N 0 3 263.385 2.227 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](Cc1ccccc1)c1ncco1 ZINC000594414652 345623879 /nfs/dbraw/zinc/62/38/79/345623879.db2.gz KIDVNKMVGZKDNC-AAEUAGOBSA-N 0 3 269.304 2.234 20 30 CEEDHN Cc1c(NC(=O)[C@H](N)CCCCC#N)cccc1[N+](=O)[O-] ZINC000594425052 345625806 /nfs/dbraw/zinc/62/58/06/345625806.db2.gz JMKUCVZHQZLIRP-LLVKDONJSA-N 0 3 290.323 2.253 20 30 CEEDHN COc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594425686 345625823 /nfs/dbraw/zinc/62/58/23/345625823.db2.gz LZGRKEBEYLJUIV-ZDUSSCGKSA-N 0 3 261.325 2.045 20 30 CEEDHN COc1ccc([C@H](C)NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594430131 345627725 /nfs/dbraw/zinc/62/77/25/345627725.db2.gz WFBSMLCWXHGMIT-SWLSCSKDSA-N 0 3 289.379 2.284 20 30 CEEDHN CCc1cnc(NC(=O)[C@H](N)CCCCC#N)s1 ZINC000594431375 345628670 /nfs/dbraw/zinc/62/86/70/345628670.db2.gz LGKUUVQNFUPGHQ-SNVBAGLBSA-N 0 3 266.370 2.055 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000594433430 345629044 /nfs/dbraw/zinc/62/90/44/345629044.db2.gz PNROGKSVNBXOIJ-IHRRRGAJSA-N 0 3 295.452 2.284 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000594433431 345629313 /nfs/dbraw/zinc/62/93/13/345629313.db2.gz PNROGKSVNBXOIJ-MELADBBJSA-N 0 3 295.452 2.284 20 30 CEEDHN Cc1nc2cc(NC(=O)[C@@H](N)CCCCC#N)ccc2n1C ZINC000594438913 345630471 /nfs/dbraw/zinc/63/04/71/345630471.db2.gz MWRNHPLBUXRDMC-ZDUSSCGKSA-N 0 3 299.378 2.232 20 30 CEEDHN C[C@H]1CC2(CCC2)CN1C(=O)[C@H](N)CCCCC#N ZINC000594450339 345633664 /nfs/dbraw/zinc/63/36/64/345633664.db2.gz YTKAGTQGHUJCKL-QWHCGFSZSA-N 0 3 263.385 2.189 20 30 CEEDHN CC1(C)CN[C@@H]1C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594450132 345633715 /nfs/dbraw/zinc/63/37/15/345633715.db2.gz GUGWAEISKUXVON-CQSZACIVSA-N 0 3 283.375 2.052 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000594450080 345633937 /nfs/dbraw/zinc/63/39/37/345633937.db2.gz SZATVOTUKZYHCA-OFQRWUPVSA-N 0 3 289.354 2.151 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCC1CCC(F)CC1 ZINC000594449828 345634023 /nfs/dbraw/zinc/63/40/23/345634023.db2.gz OTEWKYCUQRUUIE-BPCQOVAHSA-N 0 3 269.364 2.042 20 30 CEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)C1CCC(F)(F)CC1 ZINC000594456015 345635822 /nfs/dbraw/zinc/63/58/22/345635822.db2.gz JVICRVXOOXVVDN-PWSUYJOCSA-N 0 3 287.354 2.338 20 30 CEEDHN Cc1cc(N[C@@H]2CCCN3CCCC[C@H]23)c(C#N)cn1 ZINC000594604360 345658474 /nfs/dbraw/zinc/65/84/74/345658474.db2.gz YPVCCHRHRBMWSS-GDBMZVCRSA-N 0 3 270.380 2.112 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(C(=O)OC)oc1C ZINC000594605736 345659178 /nfs/dbraw/zinc/65/91/78/345659178.db2.gz BVZDXYJCVFYJNS-WFASDCNBSA-N 0 3 293.363 2.445 20 30 CEEDHN CCC[C@H](O)[C@@H](CO)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594506894 345640189 /nfs/dbraw/zinc/64/01/89/345640189.db2.gz HCXOIQVENDTSOJ-CVEARBPZSA-N 0 3 290.407 2.099 20 30 CEEDHN CCN1C[C@H](NCc2ccc(C(C)(C)C#N)cc2)CC1=O ZINC000594507628 345640351 /nfs/dbraw/zinc/64/03/51/345640351.db2.gz OGGDHQCNKUNXPL-OAHLLOKOSA-N 0 3 285.391 2.198 20 30 CEEDHN CC(C)(C#N)c1ccc(CN[C@@H](CO)CCF)cc1 ZINC000594514719 345641670 /nfs/dbraw/zinc/64/16/70/345641670.db2.gz ZZBVRYLHYLMZFH-CQSZACIVSA-N 0 3 264.344 2.298 20 30 CEEDHN N#Cc1ccccc1-n1cc(CNC2CCCC2)nn1 ZINC000594653111 345667686 /nfs/dbraw/zinc/66/76/86/345667686.db2.gz YMXKAWPIPHJCKL-UHFFFAOYSA-N 0 3 267.336 2.171 20 30 CEEDHN CCC(C)(C)N1CCN(c2cccc(C#N)n2)CC1 ZINC000594593871 345654418 /nfs/dbraw/zinc/65/44/18/345654418.db2.gz FQSKEPDZLLODJF-UHFFFAOYSA-N 0 3 258.369 2.264 20 30 CEEDHN CC(C)[C@H](O)C(C)(C)CNCc1cccc(C#N)n1 ZINC000602580370 347087065 /nfs/dbraw/zinc/08/70/65/347087065.db2.gz NANWTCDQCDVREO-AWEZNQCLSA-N 0 3 261.369 2.086 20 30 CEEDHN CC[C@@H](C)CCNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000594717685 345677940 /nfs/dbraw/zinc/67/79/40/345677940.db2.gz FEBNTWAMENTZDI-CYBMUJFWSA-N 0 3 294.420 2.358 20 30 CEEDHN COC[C@@H](NCC1(C#N)CCCCC1)C1CCOCC1 ZINC000595090208 345740723 /nfs/dbraw/zinc/74/07/23/345740723.db2.gz FTKYXRBELPYNOQ-OAHLLOKOSA-N 0 3 280.412 2.492 20 30 CEEDHN C[C@H]1c2ccccc2C[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000595254899 345749103 /nfs/dbraw/zinc/74/91/03/345749103.db2.gz BZHPMNCDFMVHCK-APHBMKBZSA-N 0 3 285.391 2.242 20 30 CEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)C1CCC(F)CC1 ZINC000595260149 345750973 /nfs/dbraw/zinc/75/09/73/345750973.db2.gz WHOQXEJFRBXTAD-XVSSEFHLSA-N 0 3 269.364 2.041 20 30 CEEDHN CO[C@@H](CN(C)Cc1cccc(C#N)c1)[C@H]1CCOC1 ZINC000595289924 345755365 /nfs/dbraw/zinc/75/53/65/345755365.db2.gz RLEHHMNPMGIWQG-HOTGVXAUSA-N 0 3 274.364 2.042 20 30 CEEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)[C@@H]1CN(C)CCO1 ZINC000594932211 345707422 /nfs/dbraw/zinc/70/74/22/345707422.db2.gz WHLJMMIBGGJSJJ-PBHICJAKSA-N 0 3 299.418 2.050 20 30 CEEDHN Cn1ncc(C2CCC2)c1CN[C@H]1CC[C@H](C#N)C1 ZINC000594946617 345713570 /nfs/dbraw/zinc/71/35/70/345713570.db2.gz QXQAOLBZLKUEKN-AAEUAGOBSA-N 0 3 258.369 2.469 20 30 CEEDHN Cc1noc(C)c1CNCCc1ccc(C#N)cc1 ZINC000594955258 345715095 /nfs/dbraw/zinc/71/50/95/345715095.db2.gz MFRPZGHTKLDQPJ-UHFFFAOYSA-N 0 3 255.321 2.495 20 30 CEEDHN Cc1cc(CNCCO[C@@H]2CC2(F)F)ccc1C#N ZINC000594971644 345719750 /nfs/dbraw/zinc/71/97/50/345719750.db2.gz OCNJMHGSSVARCI-CYBMUJFWSA-N 0 3 266.291 2.381 20 30 CEEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1nccn1C ZINC000595055206 345735501 /nfs/dbraw/zinc/73/55/01/345735501.db2.gz AUWFMTKEMQTGNW-GFCCVEGCSA-N 0 3 254.337 2.185 20 30 CEEDHN CCN1CCC(NC(=O)NCC2(C#N)CCCCC2)CC1 ZINC000595547108 345809447 /nfs/dbraw/zinc/80/94/47/345809447.db2.gz OHJDIRPWPRGGPC-UHFFFAOYSA-N 0 3 292.427 2.244 20 30 CEEDHN COC[C@H](CN(C)[C@H](C)c1cccc(C#N)c1)OC ZINC000595549419 345809988 /nfs/dbraw/zinc/80/99/88/345809988.db2.gz IZAFACUBQJDWQC-DOMZBBRYSA-N 0 3 262.353 2.212 20 30 CEEDHN N#C[C@H](c1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000595347141 345766472 /nfs/dbraw/zinc/76/64/72/345766472.db2.gz LBJFOSMWOOZUNF-QGZVFWFLSA-N 0 3 278.359 2.468 20 30 CEEDHN N#Cc1ccc(CCN[C@H](CCO)c2ccco2)cc1 ZINC000595447367 345784802 /nfs/dbraw/zinc/78/48/02/345784802.db2.gz UXRHJEPUMBFQEW-OAHLLOKOSA-N 0 3 270.332 2.407 20 30 CEEDHN CC(C)[C@@H]1CN(CCc2ccc(C#N)cc2)CCN1C ZINC000595460436 345788800 /nfs/dbraw/zinc/78/88/00/345788800.db2.gz HJHKFOOKCDBPBE-KRWDZBQOSA-N 0 3 271.408 2.373 20 30 CEEDHN C[C@@]12COC[C@]1(C)CN(CCOc1ccccc1C#N)C2 ZINC000595690090 345850060 /nfs/dbraw/zinc/85/00/60/345850060.db2.gz UFJBPNMCGMBEOT-CALCHBBNSA-N 0 3 286.375 2.295 20 30 CEEDHN C=CCCSCCNC(=O)N(C)C[C@@H]1CCCN1C ZINC000595720754 345860031 /nfs/dbraw/zinc/86/00/31/345860031.db2.gz OOYDNKNBIBKNKP-ZDUSSCGKSA-N 0 3 285.457 2.031 20 30 CEEDHN CCCN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595725678 345860926 /nfs/dbraw/zinc/86/09/26/345860926.db2.gz HFRVTGQBEZEMLQ-UHFFFAOYSA-N 0 3 295.390 2.480 20 30 CEEDHN C=CCN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)COC ZINC000595647797 345837744 /nfs/dbraw/zinc/83/77/44/345837744.db2.gz PIOFVMJDWSHZLF-ZDUSSCGKSA-N 0 3 294.351 2.497 20 30 CEEDHN Cc1ccc2c(c1)CN(CCC(=O)N(C)CCC#N)CC2 ZINC000595659264 345840268 /nfs/dbraw/zinc/84/02/68/345840268.db2.gz ZMQXRHFXRSTKRG-UHFFFAOYSA-N 0 3 285.391 2.115 20 30 CEEDHN N#Cc1cc(CN2CC[C@H]3COC[C@@H]3C2)ccc1F ZINC000595830714 345888368 /nfs/dbraw/zinc/88/83/68/345888368.db2.gz LGWYKQBTARLBAY-JSGCOSHPSA-N 0 3 260.312 2.166 20 30 CEEDHN CC(C)CC1(NCC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000595832115 345889270 /nfs/dbraw/zinc/88/92/70/345889270.db2.gz BOHIIBFDHLZZRO-AWEZNQCLSA-N 0 3 265.401 2.209 20 30 CEEDHN N#Cc1ccc(F)c(CN[C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000595778110 345874589 /nfs/dbraw/zinc/87/45/89/345874589.db2.gz PBVRGPGFHJHAPJ-ZIAGYGMSSA-N 0 3 260.312 2.090 20 30 CEEDHN N#CCCCCN[C@H](CO)c1ccc(F)cc1F ZINC000595868404 345901224 /nfs/dbraw/zinc/90/12/24/345901224.db2.gz WBMBUFJBSJABTM-CYBMUJFWSA-N 0 3 254.280 2.282 20 30 CEEDHN C#CCN(C)CCCN[C@@H](C)c1sccc1OC ZINC000295014119 539498338 /nfs/dbraw/zinc/49/83/38/539498338.db2.gz MYKAMGRKLHTKCE-LBPRGKRZSA-N 0 3 266.410 2.362 20 30 CEEDHN CC(C)(CNC(=O)[C@H](N)CCCCC#N)CC(F)(F)F ZINC000595986128 345921095 /nfs/dbraw/zinc/92/10/95/345921095.db2.gz OWGSLBNJCSRURW-SNVBAGLBSA-N 0 3 293.333 2.492 20 30 CEEDHN CC(C)(CNC(=O)[C@@H](N)CCCC#N)CC(F)(F)F ZINC000595986110 345921144 /nfs/dbraw/zinc/92/11/44/345921144.db2.gz OKFOSWKJHXRXBY-VIFPVBQESA-N 0 3 279.306 2.102 20 30 CEEDHN N#Cc1c(-n2cccn2)cccc1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000596016825 345923691 /nfs/dbraw/zinc/92/36/91/345923691.db2.gz VYOFRTCZYRFXEQ-OKILXGFUSA-N 0 3 293.374 2.075 20 30 CEEDHN N#Cc1cnc(NCCCNCc2cccnc2)c(F)c1 ZINC000596015950 345923756 /nfs/dbraw/zinc/92/37/56/345923756.db2.gz KTDRNKZVWPICCE-UHFFFAOYSA-N 0 3 285.326 2.079 20 30 CEEDHN CCN(CC)[C@H](CNc1c(C#N)cnn1C)c1ccco1 ZINC000596091675 345937850 /nfs/dbraw/zinc/93/78/50/345937850.db2.gz CBGDZQCHWMEBMS-CYBMUJFWSA-N 0 3 287.367 2.380 20 30 CEEDHN N#Cc1ccc2nc(N[C@H]3CCN(C4CC4)C3)ccc2c1 ZINC000596091351 345938067 /nfs/dbraw/zinc/93/80/67/345938067.db2.gz ISKYGDMDBUNOEJ-AWEZNQCLSA-N 0 3 278.359 2.177 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2nc3ncccc3cc2C#N)CCN1C ZINC000596145210 345950920 /nfs/dbraw/zinc/95/09/20/345950920.db2.gz ISSABTCITNGTEM-RISCZKNCSA-N 0 3 281.363 2.396 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)NCC1(C#N)CCCCC1 ZINC000596388189 346013100 /nfs/dbraw/zinc/01/31/00/346013100.db2.gz JFIFDECGNNLBBK-CQSZACIVSA-N 0 3 292.427 2.244 20 30 CEEDHN CCN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(C)C1 ZINC000596454514 346027925 /nfs/dbraw/zinc/02/79/25/346027925.db2.gz RICKVTKKKBDXPI-CQSZACIVSA-N 0 3 272.352 2.116 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)Nc1ncccc1C#N ZINC000596488210 346036660 /nfs/dbraw/zinc/03/66/60/346036660.db2.gz ORIDNGGYDUSAHV-ZDUSSCGKSA-N 0 3 258.369 2.486 20 30 CEEDHN CN1CCN(Cc2ccccc2-c2cncc(C#N)c2)CC1 ZINC000596638946 346069771 /nfs/dbraw/zinc/06/97/71/346069771.db2.gz GGLWEVQANZKSHG-UHFFFAOYSA-N 0 3 292.386 2.368 20 30 CEEDHN C[C@H](CC#N)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000596674201 346075763 /nfs/dbraw/zinc/07/57/63/346075763.db2.gz IBGIXZKFSDZDDG-GDBMZVCRSA-N 0 3 285.391 2.489 20 30 CEEDHN N#CC1(c2ccc(CN3CCC[C@H](O)C3)cc2)CC1 ZINC000596977348 346111450 /nfs/dbraw/zinc/11/14/50/346111450.db2.gz KBFMLIUCNLBMQA-HNNXBMFYSA-N 0 3 256.349 2.198 20 30 CEEDHN CC(C)C(=O)NCCN(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597027171 346117184 /nfs/dbraw/zinc/11/71/84/346117184.db2.gz WDEFYKVLXRACSE-UHFFFAOYSA-N 0 3 299.418 2.446 20 30 CEEDHN C=CC[C@@H](CO)CNCc1ccc(C(=O)OC)c(Cl)c1 ZINC000597079335 346124667 /nfs/dbraw/zinc/12/46/67/346124667.db2.gz QKUVKZQSPPYQMA-GFCCVEGCSA-N 0 3 297.782 2.401 20 30 CEEDHN CC[C@@H](C)CCNCc1cnc2c(C#N)cnn2c1 ZINC000597184147 346143335 /nfs/dbraw/zinc/14/33/35/346143335.db2.gz HGJIZPUBQNJWNA-LLVKDONJSA-N 0 3 257.341 2.127 20 30 CEEDHN COCCOCCN(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597133423 346133272 /nfs/dbraw/zinc/13/32/72/346133272.db2.gz RJPGFRGFLXIJCL-UHFFFAOYSA-N 0 3 288.391 2.337 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CC1(C#N)CCCCC1 ZINC000597378540 346178640 /nfs/dbraw/zinc/17/86/40/346178640.db2.gz QYMKCIPTFFDYEH-DZGCQCFKSA-N 0 3 289.423 2.449 20 30 CEEDHN N#Cc1csc(CN2CCC[C@@](O)(C3CC3)C2)c1 ZINC000597205666 346148394 /nfs/dbraw/zinc/14/83/94/346148394.db2.gz OEKKAZRUFSLKEC-AWEZNQCLSA-N 0 3 262.378 2.357 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(C#N)cc1 ZINC000597856820 346239074 /nfs/dbraw/zinc/23/90/74/346239074.db2.gz ARONLWMLVLJHJA-CQSZACIVSA-N 0 3 271.364 2.161 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(F)c(C#N)c1 ZINC000597859234 346239680 /nfs/dbraw/zinc/23/96/80/346239680.db2.gz BUMNDIDNAOGRKB-ZDUSSCGKSA-N 0 3 289.354 2.300 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000287281786 282452963 /nfs/dbraw/zinc/45/29/63/282452963.db2.gz SUJXJQVAPXZCEG-NHYWBVRUSA-N 0 3 287.363 2.159 20 30 CEEDHN CCN(C(=O)c1cc(C#N)ccc1Cl)[C@H]1CCN(C)C1 ZINC000597943889 346255433 /nfs/dbraw/zinc/25/54/33/346255433.db2.gz AIQLFGGUPAMMJH-LBPRGKRZSA-N 0 3 291.782 2.378 20 30 CEEDHN CN1CCC(C(=O)NC(C)(C)c2cccc(C#N)c2)CC1 ZINC000597951559 346257256 /nfs/dbraw/zinc/25/72/56/346257256.db2.gz ZVVCKQCSWIZWPO-UHFFFAOYSA-N 0 3 285.391 2.251 20 30 CEEDHN C=CCCSCCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000597968664 346259649 /nfs/dbraw/zinc/25/96/49/346259649.db2.gz YKSYAXMFHVFEQI-CHWSQXEVSA-N 0 3 270.442 2.285 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1(CO)CC1 ZINC000598035924 346272769 /nfs/dbraw/zinc/27/27/69/346272769.db2.gz DWMSUVQMAAQURS-UKRRQHHQSA-N 0 3 286.375 2.036 20 30 CEEDHN CCN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCN(CC)C1 ZINC000598041247 346274518 /nfs/dbraw/zinc/27/45/18/346274518.db2.gz KILNJVRLUQGKAH-MRXNPFEDSA-N 0 3 285.391 2.309 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000598393474 346344833 /nfs/dbraw/zinc/34/48/33/346344833.db2.gz JVWSBOQGDMXRNJ-ULQDDVLXSA-N 0 3 298.386 2.254 20 30 CEEDHN C[C@@H]1CN(CCOc2ccc(C#N)cc2)CCCO1 ZINC000061918384 362699131 /nfs/dbraw/zinc/69/91/31/362699131.db2.gz SKPAOHSCIPELBE-CYBMUJFWSA-N 0 3 260.337 2.048 20 30 CEEDHN CCN(C(=O)[C@H]1CCN(Cc2ccccc2)C1)[C@H](C)C#N ZINC000598362569 346339714 /nfs/dbraw/zinc/33/97/14/346339714.db2.gz GQRSGHBWOUDOBI-ZBFHGGJFSA-N 0 3 285.391 2.269 20 30 CEEDHN CC[C@@H]1CN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)C[C@H](C)N1 ZINC000598531833 346371854 /nfs/dbraw/zinc/37/18/54/346371854.db2.gz QKNPNGZIUZOWRN-GRDNDAEWSA-N 0 3 299.418 2.336 20 30 CEEDHN CC[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)C[C@H](C)N1 ZINC000598535948 346372028 /nfs/dbraw/zinc/37/20/28/346372028.db2.gz MDOOKPLEJHSQKA-XJKSGUPXSA-N 0 3 285.391 2.090 20 30 CEEDHN CC(C)[C@@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CCN1 ZINC000598571269 346376390 /nfs/dbraw/zinc/37/63/90/346376390.db2.gz ITHZXGAHWODVPK-AWEZNQCLSA-N 0 3 291.782 2.282 20 30 CEEDHN CN(CCOc1ccccc1F)C[C@@H](O)CC(C)(C)C#N ZINC000598587389 346378577 /nfs/dbraw/zinc/37/85/77/346378577.db2.gz PRIVWELKDGYCBO-ZDUSSCGKSA-N 0 3 294.370 2.437 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CC(C)(C)OCC1(C)C ZINC000598591380 346379183 /nfs/dbraw/zinc/37/91/83/346379183.db2.gz APNPGQDUGCEQOW-GFCCVEGCSA-N 0 3 268.401 2.177 20 30 CEEDHN CN(Cc1cccc(O)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598591591 346379207 /nfs/dbraw/zinc/37/92/07/346379207.db2.gz BPWYJAVRFIFDAR-AWEZNQCLSA-N 0 3 262.353 2.125 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H](CCO)c1ccccc1 ZINC000598603713 346382498 /nfs/dbraw/zinc/38/24/98/346382498.db2.gz ZDHWRWRLXXELGT-CABCVRRESA-N 0 3 276.380 2.000 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000598616016 346384822 /nfs/dbraw/zinc/38/48/22/346384822.db2.gz JEKYJIZOCVKTIU-MELADBBJSA-N 0 3 280.412 2.177 20 30 CEEDHN CN1CCN(C[C@H](O)CC(C)(C)C#N)CC12CCCCC2 ZINC000598619941 346385296 /nfs/dbraw/zinc/38/52/96/346385296.db2.gz IZFNQEGWHOWFHQ-OAHLLOKOSA-N 0 3 293.455 2.237 20 30 CEEDHN CCOc1ccccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598721473 346407984 /nfs/dbraw/zinc/40/79/84/346407984.db2.gz VZMRGAVBXAFYPJ-AWEZNQCLSA-N 0 3 276.380 2.476 20 30 CEEDHN Cc1cccc2nc(CNC[C@H](O)CC(C)(C)C#N)cn21 ZINC000598721810 346408073 /nfs/dbraw/zinc/40/80/73/346408073.db2.gz WVKXBICBKGANCK-CQSZACIVSA-N 0 3 286.379 2.033 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc2c(n1)CCCC2 ZINC000598724552 346409272 /nfs/dbraw/zinc/40/92/72/346409272.db2.gz PUZGHTRXEDDRSM-OAHLLOKOSA-N 0 3 287.407 2.351 20 30 CEEDHN Cc1c(CNC[C@@H](O)CC(C)(C)C#N)cccc1[N+](=O)[O-] ZINC000598725271 346409403 /nfs/dbraw/zinc/40/94/03/346409403.db2.gz WVVHOHYPKUWBPN-ZDUSSCGKSA-N 0 3 291.351 2.294 20 30 CEEDHN Cc1ccnc(NC[C@@]2(N(C)C)CCSC2)c1C#N ZINC000273295250 192102564 /nfs/dbraw/zinc/10/25/64/192102564.db2.gz GGTCHEYXGCQWDM-AWEZNQCLSA-N 0 3 276.409 2.111 20 30 CEEDHN N#CCCCCNC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000598983125 346441901 /nfs/dbraw/zinc/44/19/01/346441901.db2.gz BJUANJLDNCFILU-OAHLLOKOSA-N 0 3 292.427 2.386 20 30 CEEDHN CN(CCN1CCCC1)Cc1ccc(C#N)cc1F ZINC000063051921 362745058 /nfs/dbraw/zinc/74/50/58/362745058.db2.gz HDFINHAUZSUUSX-UHFFFAOYSA-N 0 3 261.344 2.225 20 30 CEEDHN COc1ccccc1N1CCC(NC[C@@H](C)C#N)CC1 ZINC000602606887 347098139 /nfs/dbraw/zinc/09/81/39/347098139.db2.gz FADPKDDSGNUTDD-ZDUSSCGKSA-N 0 3 273.380 2.413 20 30 CEEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)CC(=O)OCC ZINC000599391250 346512365 /nfs/dbraw/zinc/51/23/65/346512365.db2.gz IRZLWWQTPKDOGA-MRXNPFEDSA-N 0 3 291.391 2.379 20 30 CEEDHN CC#CCN(C)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000599430998 346518036 /nfs/dbraw/zinc/51/80/36/346518036.db2.gz KIANFWGWIBTPHW-UHFFFAOYSA-N 0 3 295.423 2.205 20 30 CEEDHN C[C@H](C(=O)N(C)[C@@H]1CCC[C@H]1C#N)[C@H](N)c1ccccc1 ZINC000602604699 347096298 /nfs/dbraw/zinc/09/62/98/347096298.db2.gz ZVFOIDBHYIOQMD-HNKHHVNMSA-N 0 3 285.391 2.473 20 30 CEEDHN Cc1nc(CCN(C)Cc2ccc(C)c(C#N)c2)no1 ZINC000599320103 346498409 /nfs/dbraw/zinc/49/84/09/346498409.db2.gz BVWSQEPAVVWHGZ-UHFFFAOYSA-N 0 3 270.336 2.233 20 30 CEEDHN Cc1ccc(CN2CC[C@]3(CCOC3)C2)cc1C#N ZINC000599316352 346498461 /nfs/dbraw/zinc/49/84/61/346498461.db2.gz QESULTLWQBOTQX-INIZCTEOSA-N 0 3 256.349 2.479 20 30 CEEDHN Cc1ccc(CN[C@@H]2C[C@@H](O)C23CCC3)cc1C#N ZINC000599466527 346525238 /nfs/dbraw/zinc/52/52/38/346525238.db2.gz BOKBXNSXKRSCEL-HUUCEWRRSA-N 0 3 256.349 2.260 20 30 CEEDHN C[C@H]1C[C@H](CCNCc2cccc(C#N)n2)CCO1 ZINC000602611058 347101937 /nfs/dbraw/zinc/10/19/37/347101937.db2.gz USGUWXLLOKSYKC-QWHCGFSZSA-N 0 3 259.353 2.248 20 30 CEEDHN COc1ccc(CN2C[C@@H]3CCC[C@]3(CO)C2)cc1C#N ZINC000599638764 346551208 /nfs/dbraw/zinc/55/12/08/346551208.db2.gz QACKSPLABJBQAX-DOTOQJQBSA-N 0 3 286.375 2.161 20 30 CEEDHN CC(=O)NC[C@@H]1CCCCN1CCc1ccc(C#N)cc1 ZINC000599691521 346568588 /nfs/dbraw/zinc/56/85/88/346568588.db2.gz SDUNBOSNGNNNBR-KRWDZBQOSA-N 0 3 285.391 2.091 20 30 CEEDHN Cc1ccc(CN2CCNC[C@H]2c2cccnc2)cc1C#N ZINC000600708540 346675281 /nfs/dbraw/zinc/67/52/81/346675281.db2.gz DDTVKFKPDOBIOC-SFHVURJKSA-N 0 3 292.386 2.408 20 30 CEEDHN COc1ccc(Cl)cc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600716393 346677322 /nfs/dbraw/zinc/67/73/22/346677322.db2.gz LANFMGMECGNNHL-ZDUSSCGKSA-N 0 3 294.782 2.493 20 30 CEEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1nc2ccccc2[nH]1 ZINC000600719904 346677552 /nfs/dbraw/zinc/67/75/52/346677552.db2.gz XGAQHKDSRWRGAL-NWDGAFQWSA-N 0 3 284.363 2.268 20 30 CEEDHN N#CC1(C[C@@H](O)CNCc2ccc(Cl)o2)CCOCC1 ZINC000600720087 346677895 /nfs/dbraw/zinc/67/78/95/346677895.db2.gz XFPQIRZDFZKZRG-LLVKDONJSA-N 0 3 298.770 2.094 20 30 CEEDHN COc1cc(CNC[C@@H](O)CC2(C#N)CC2)ccc1C ZINC000600720937 346678552 /nfs/dbraw/zinc/67/85/52/346678552.db2.gz RRVSUSKIARNQKW-AWEZNQCLSA-N 0 3 274.364 2.148 20 30 CEEDHN Cc1cscc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600735839 346681211 /nfs/dbraw/zinc/68/12/11/346681211.db2.gz WAAIQQXVMNPSFU-LBPRGKRZSA-N 0 3 250.367 2.201 20 30 CEEDHN N#Cc1ccc(CN2CCNC[C@@H]2c2cccc(F)c2)o1 ZINC000600770401 346686913 /nfs/dbraw/zinc/68/69/13/346686913.db2.gz YHOHAGXRTSRITK-MRXNPFEDSA-N 0 3 285.322 2.437 20 30 CEEDHN Cc1cc(C#N)cc(N[C@@H]2CN(C3CC3)C[C@@H]2C)n1 ZINC000601128915 346762489 /nfs/dbraw/zinc/76/24/89/346762489.db2.gz GZUUYONEVWACBQ-IINYFYTJSA-N 0 3 256.353 2.156 20 30 CEEDHN N#CC1CCC(N[C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000602617048 347105225 /nfs/dbraw/zinc/10/52/25/347105225.db2.gz NMQDNKQNZQAHSQ-DBRPNBKGSA-N 0 3 275.327 2.024 20 30 CEEDHN C[C@H](CCC#N)CN(C)[C@H](C)C(=O)NC(C)(C)C ZINC000602622448 347107453 /nfs/dbraw/zinc/10/74/53/347107453.db2.gz IGAWMCPLSCQIDV-VXGBXAGGSA-N 0 3 253.390 2.161 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)C2(C#N)CC3(CC3)C2)CCN1C ZINC000601224598 346795198 /nfs/dbraw/zinc/79/51/98/346795198.db2.gz IDJCYWFQASVOJS-OLZOCXBDSA-N 0 3 275.396 2.011 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(C#N)n1 ZINC000602646421 347121980 /nfs/dbraw/zinc/12/19/80/347121980.db2.gz PSGZEYWVXCJGII-IUODEOHRSA-N 0 3 257.337 2.024 20 30 CEEDHN N#Cc1cccc(CNC[C@@H](CO)C2CCCCC2)n1 ZINC000602674092 347136362 /nfs/dbraw/zinc/13/63/62/347136362.db2.gz CIERIHZQYRCYJS-AWEZNQCLSA-N 0 3 273.380 2.232 20 30 CEEDHN C[C@H](CCC#N)CN1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000602675613 347136865 /nfs/dbraw/zinc/13/68/65/347136865.db2.gz MYNRPFMCBRXJSX-NVXWUHKLSA-N 0 3 299.418 2.359 20 30 CEEDHN CC(C)[C@@H]1C[C@@H](CNCc2cccc(C#N)n2)CCO1 ZINC000602683406 347143673 /nfs/dbraw/zinc/14/36/73/347143673.db2.gz AMRIWNLXPCTCHW-BBRMVZONSA-N 0 3 273.380 2.494 20 30 CEEDHN N#CC[C@]1(O)CCN(Cc2cccc3ncccc23)C1 ZINC000602695770 347152621 /nfs/dbraw/zinc/15/26/21/347152621.db2.gz IIPZVJFFUKVFOW-INIZCTEOSA-N 0 3 267.332 2.085 20 30 CEEDHN CO[C@@]1(CNCc2ccc(C#N)c(Cl)c2)CCOC1 ZINC000602658541 347127441 /nfs/dbraw/zinc/12/74/41/347127441.db2.gz KNQVZDVLLSENIK-CQSZACIVSA-N 0 3 280.755 2.107 20 30 CEEDHN C[C@@H]1CN(CCCOC(C)(C)C)C[C@H](C)N1CC#N ZINC000602858326 347227194 /nfs/dbraw/zinc/22/71/94/347227194.db2.gz ACUFKWXZHFQZHF-OKILXGFUSA-N 0 3 267.417 2.110 20 30 CEEDHN C[C@@H](CC#N)NC[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000602871706 347232682 /nfs/dbraw/zinc/23/26/82/347232682.db2.gz UVVNOPAADGHKBY-QWHCGFSZSA-N 0 3 265.401 2.163 20 30 CEEDHN CCN1[C@H](C)CN(Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000602875218 347235254 /nfs/dbraw/zinc/23/52/54/347235254.db2.gz ZEAJDHSVTBWAJR-OKILXGFUSA-N 0 3 257.381 2.473 20 30 CEEDHN COC(=O)CCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908327 347244746 /nfs/dbraw/zinc/24/47/46/347244746.db2.gz QKWBTYJRVMFBCK-UHFFFAOYSA-N 0 3 287.363 2.086 20 30 CEEDHN CC(C)N1CCN(CCCN(C)[C@H]2CCC[C@H]2C#N)CC1 ZINC000602981018 347264121 /nfs/dbraw/zinc/26/41/21/347264121.db2.gz YQSRXFBGXJMZOE-IRXDYDNUSA-N 0 3 292.471 2.027 20 30 CEEDHN CC(C)[C@@H](N)c1cn(Cc2cn3ccccc3c2C#N)nn1 ZINC000603192963 347303880 /nfs/dbraw/zinc/30/38/80/347303880.db2.gz OVNQXLQUZDAGOT-MRXNPFEDSA-N 0 3 294.362 2.107 20 30 CEEDHN CC(C)(C)[C@@H](N)c1cn(Cc2cc(C#N)ccc2F)nn1 ZINC000603190256 347304042 /nfs/dbraw/zinc/30/40/42/347304042.db2.gz FFVYVIPLAXGBCH-AWEZNQCLSA-N 0 3 287.342 2.383 20 30 CEEDHN CC(C)(C)[C@@H](N)c1cn(Cc2ccc(CC#N)cc2)nn1 ZINC000603221655 347313263 /nfs/dbraw/zinc/31/32/63/347313263.db2.gz FPRZFDJNVXZUMK-HNNXBMFYSA-N 0 3 283.379 2.438 20 30 CEEDHN CC(C)[C@H](N)c1cn([C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000603226944 347315459 /nfs/dbraw/zinc/31/54/59/347315459.db2.gz IQJQEXVELHOWSE-NHYWBVRUSA-N 0 3 269.352 2.415 20 30 CEEDHN CC[C@](C)(N)c1cn(Cc2ccc(C#N)c(C)c2)nn1 ZINC000603238251 347319390 /nfs/dbraw/zinc/31/93/90/347319390.db2.gz UQYQVAGMRBQADD-HNNXBMFYSA-N 0 3 269.352 2.090 20 30 CEEDHN C=C[C@H](CO)NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000603434111 347369453 /nfs/dbraw/zinc/36/94/53/347369453.db2.gz ZUZALFHDDSZIOP-MRXNPFEDSA-N 0 3 296.374 2.100 20 30 CEEDHN CC(C)CCN(C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000603899850 347396899 /nfs/dbraw/zinc/39/68/99/347396899.db2.gz ZWQXAINBOSIQEA-DZGCQCFKSA-N 0 3 267.417 2.407 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000609620090 347646965 /nfs/dbraw/zinc/64/69/65/347646965.db2.gz CGTGWNDSKOKPOS-MNOVXSKESA-N 0 3 293.317 2.067 20 30 CEEDHN CC(C#N)C(=O)N1CCCO[C@H](c2ccccc2)C1 ZINC000609921471 347656536 /nfs/dbraw/zinc/65/65/36/347656536.db2.gz ZVQLYPAUGGZERE-JSGCOSHPSA-N 0 3 258.321 2.136 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1C2CCCC1CCC2 ZINC000610395065 347677721 /nfs/dbraw/zinc/67/77/21/347677721.db2.gz WWZNVDCBWFAULL-WLYUNCDWSA-N 0 3 277.412 2.402 20 30 CEEDHN CCO[C@@H]1C[C@@H](NC(=O)C(C)C#N)C12CCCCC2 ZINC000610492673 347685247 /nfs/dbraw/zinc/68/52/47/347685247.db2.gz GFZYJQRLADKZNJ-JHJVBQTASA-N 0 3 264.369 2.390 20 30 CEEDHN CC(C#N)C(=O)NCc1c(F)c(F)cc(F)c1F ZINC000610637297 347697731 /nfs/dbraw/zinc/69/77/31/347697731.db2.gz LUKGFUFTTPCWSD-RXMQYKEDSA-N 0 3 260.190 2.019 20 30 CEEDHN CC(C)NC(=O)CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611390585 347772510 /nfs/dbraw/zinc/77/25/10/347772510.db2.gz JPQWXEKIBQTKHF-INIZCTEOSA-N 0 3 285.391 2.440 20 30 CEEDHN N#Cc1cc(CN2CCN(C3CCCCC3)CC2)ccn1 ZINC000610994153 347729034 /nfs/dbraw/zinc/72/90/34/347729034.db2.gz OJZQJUHFNHUPDF-UHFFFAOYSA-N 0 3 284.407 2.404 20 30 CEEDHN CC(C)NC(=O)C(C#N)c1ccc2ccccc2n1 ZINC000611158141 347745634 /nfs/dbraw/zinc/74/56/34/347745634.db2.gz BUDAHZDSBYIXIY-GFCCVEGCSA-N 0 3 253.305 2.367 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000611237234 347755789 /nfs/dbraw/zinc/75/57/89/347755789.db2.gz CADISDJCRPIYGI-KGLIPLIRSA-N 0 3 283.412 2.367 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612137701 347848466 /nfs/dbraw/zinc/84/84/66/347848466.db2.gz RFMNVQDNDMYUBB-GDBMZVCRSA-N 0 3 292.427 2.196 20 30 CEEDHN C=CCN(CCCNS(=O)(=O)CC)Cc1ccccc1 ZINC000130380844 365950219 /nfs/dbraw/zinc/95/02/19/365950219.db2.gz JXGTZDIYADCEKZ-UHFFFAOYSA-N 0 3 296.436 2.004 20 30 CEEDHN CC(=O)N1CC[C@H](NCc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000614205115 348157323 /nfs/dbraw/zinc/15/73/23/348157323.db2.gz XNESKOXMTJIAPS-BZNIZROVSA-N 0 3 289.354 2.044 20 30 CEEDHN N#CC1(NC(=O)CN2CC[C@@H]3CCC[C@@H]32)CCCCC1 ZINC000614600822 348221174 /nfs/dbraw/zinc/22/11/74/348221174.db2.gz MAOIDAQDJMQPFX-KBPBESRZSA-N 0 3 275.396 2.203 20 30 CEEDHN Cc1ccnc(N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1C#N ZINC000273331822 192115597 /nfs/dbraw/zinc/11/55/97/192115597.db2.gz MEUHJAOEZVADBL-QWHCGFSZSA-N 0 3 258.369 2.181 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000066960998 362896029 /nfs/dbraw/zinc/89/60/29/362896029.db2.gz WQRRJDHQWKRXDN-ZNMIVQPWSA-N 0 3 252.402 2.136 20 30 CEEDHN COCCCN(C)CCNc1ncc(Cl)c(C)c1C#N ZINC000273358275 192124421 /nfs/dbraw/zinc/12/44/21/192124421.db2.gz QGJSXDIHSWNZCY-UHFFFAOYSA-N 0 3 296.802 2.295 20 30 CEEDHN CCc1nc(C2CCN(Cc3ccnc(C#N)c3)CC2)n[nH]1 ZINC000616824182 348577529 /nfs/dbraw/zinc/57/75/29/348577529.db2.gz XDPBHUGOVCQEDS-UHFFFAOYSA-N 0 3 296.378 2.013 20 30 CEEDHN CCc1n[nH]c(C2CCN(Cc3ccnc(C#N)c3)CC2)n1 ZINC000616824182 348577532 /nfs/dbraw/zinc/57/75/32/348577532.db2.gz XDPBHUGOVCQEDS-UHFFFAOYSA-N 0 3 296.378 2.013 20 30 CEEDHN CCc1nnc(C2CCN(Cc3ccnc(C#N)c3)CC2)[nH]1 ZINC000616824182 348577535 /nfs/dbraw/zinc/57/75/35/348577535.db2.gz XDPBHUGOVCQEDS-UHFFFAOYSA-N 0 3 296.378 2.013 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000617344499 348682929 /nfs/dbraw/zinc/68/29/29/348682929.db2.gz KCEYSRMRRKWXLQ-CZUORRHYSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCCC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000617977731 348843177 /nfs/dbraw/zinc/84/31/77/348843177.db2.gz ARZGOQIOFZVCSC-UHFFFAOYSA-N 0 3 287.407 2.376 20 30 CEEDHN N#CCN1CCC(N[C@@H]2CCCc3occc32)CC1 ZINC000618567878 348977252 /nfs/dbraw/zinc/97/72/52/348977252.db2.gz GJCDCPFFVHXSNL-CQSZACIVSA-N 0 3 259.353 2.235 20 30 CEEDHN CC[C@H](N[C@@H](C)[C@@H]1CN(C)CCO1)c1ccc(C#N)cc1 ZINC000618572083 348979118 /nfs/dbraw/zinc/97/91/18/348979118.db2.gz UBESPIVJZKQWBE-JQFCIGGWSA-N 0 3 287.407 2.318 20 30 CEEDHN C=CCOCCCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000618524809 348965951 /nfs/dbraw/zinc/96/59/51/348965951.db2.gz QJPBTGNNRDPZII-INIZCTEOSA-N 0 3 294.439 2.492 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000618990853 349089286 /nfs/dbraw/zinc/08/92/86/349089286.db2.gz QJCOPTGHKPFOEQ-HUUCEWRRSA-N 0 3 282.428 2.204 20 30 CEEDHN CC[C@@H](C(=O)N[C@@H]1CCc2cc(C#N)ccc21)N(C)C ZINC000618891033 349061397 /nfs/dbraw/zinc/06/13/97/349061397.db2.gz RDOQHUGTRXZCFN-CABCVRRESA-N 0 3 271.364 2.002 20 30 CEEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H]1F ZINC000619388056 349168165 /nfs/dbraw/zinc/16/81/65/349168165.db2.gz DWKJWIVBSPJJHG-WQVCFCJDSA-N 0 3 299.349 2.447 20 30 CEEDHN COc1cc(CN(CCO)CC(C)(C)C)ccc1C#N ZINC000619674441 349215989 /nfs/dbraw/zinc/21/59/89/349215989.db2.gz QJGKZQSJSWHXOD-UHFFFAOYSA-N 0 3 276.380 2.407 20 30 CEEDHN C=CCOc1ccccc1C(=O)N[C@H]1CCN(CCC)C1 ZINC000619896227 349246967 /nfs/dbraw/zinc/24/69/67/349246967.db2.gz RJKMJCGZPMDTCM-AWEZNQCLSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2CCN(CCC)C2)CCC1 ZINC000619902128 349251533 /nfs/dbraw/zinc/25/15/33/349251533.db2.gz AGJXXQYCYVQOBC-ZDUSSCGKSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCN1CCC(Nc2ncnc(CC)c2F)CC1 ZINC000271223134 191013019 /nfs/dbraw/zinc/01/30/19/191013019.db2.gz WGKWENSHDRIKSP-UHFFFAOYSA-N 0 3 264.348 2.240 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccc(OC)c2F)CC1 ZINC000090554046 180002348 /nfs/dbraw/zinc/00/23/48/180002348.db2.gz RANGFUAWBJHBNZ-UHFFFAOYSA-N 0 3 292.354 2.215 20 30 CEEDHN C[C@@H]1CC(C)(C)CN1CC(=O)NCc1ccc(C#N)cc1 ZINC000412048188 233323504 /nfs/dbraw/zinc/32/35/04/233323504.db2.gz UPIPDNFGUDCRJJ-CYBMUJFWSA-N 0 3 285.391 2.295 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)C1 ZINC000624336458 350264436 /nfs/dbraw/zinc/26/44/36/350264436.db2.gz RPWIVWOFQGANQJ-KBPBESRZSA-N 0 3 279.428 2.467 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N(C)CCN1CCCC1 ZINC000352178447 219346821 /nfs/dbraw/zinc/34/68/21/219346821.db2.gz MYISFDFWDHNJTD-UHFFFAOYSA-N 0 3 286.379 2.426 20 30 CEEDHN C=CCN(CCc1cn(C)nn1)Cc1ccccc1 ZINC000625054553 350397763 /nfs/dbraw/zinc/39/77/63/350397763.db2.gz WIGLWFZBDLUMGF-UHFFFAOYSA-N 0 3 256.353 2.046 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(CC)CCOCC)CC1 ZINC000107848197 186195622 /nfs/dbraw/zinc/19/56/22/186195622.db2.gz PYCSAXXSOPDVRW-UHFFFAOYSA-N 0 3 297.443 2.095 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)NCc2ccc(F)cc2)C1 ZINC000625699983 350549170 /nfs/dbraw/zinc/54/91/70/350549170.db2.gz GGJFJAVCAJSOGL-CQSZACIVSA-N 0 3 276.355 2.340 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)NCCOc2ccccc2)C1 ZINC000625702158 350550888 /nfs/dbraw/zinc/55/08/88/350550888.db2.gz UAIJHJKZVMRPCC-OAHLLOKOSA-N 0 3 288.391 2.080 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)NC(C2CC2)C2CC2)C1 ZINC000625702821 350550925 /nfs/dbraw/zinc/55/09/25/350550925.db2.gz HMQPWRUTBRNHJL-GFCCVEGCSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C)C1 ZINC000625704603 350551847 /nfs/dbraw/zinc/55/18/47/350551847.db2.gz VEXSXQNHICDOQQ-UONOGXRCSA-N 0 3 250.386 2.285 20 30 CEEDHN CC[C@H](NCC(=O)NCC#N)c1ccc(Cl)cc1 ZINC000108851759 186233326 /nfs/dbraw/zinc/23/33/26/186233326.db2.gz DANLHZHQPUEVOA-LBPRGKRZSA-N 0 3 265.744 2.020 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CCCC2(CCCCC2)C1 ZINC000111323567 186397444 /nfs/dbraw/zinc/39/74/44/186397444.db2.gz NOULANAEMHGGTK-UHFFFAOYSA-N 0 3 293.411 2.045 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC(N2CCCOCC2)CC1 ZINC000627741035 350914685 /nfs/dbraw/zinc/91/46/85/350914685.db2.gz OZEFKNZTLPOJML-OAHLLOKOSA-N 0 3 294.439 2.302 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N(CC)C1CCN(C)CC1)OCC ZINC000627617486 350892903 /nfs/dbraw/zinc/89/29/03/350892903.db2.gz HSGOESZZXFEGFK-OAHLLOKOSA-N 0 3 282.428 2.300 20 30 CEEDHN N#Cc1ccc(CNCCC(=O)N2CCCCC2)cc1 ZINC000069715981 362994462 /nfs/dbraw/zinc/99/44/62/362994462.db2.gz ASNVRQGHKISETK-UHFFFAOYSA-N 0 3 271.364 2.050 20 30 CEEDHN C=CCc1ccc(OC[C@@H](O)CNC/C=C/C)c(OC)c1 ZINC000629603703 351429571 /nfs/dbraw/zinc/42/95/71/351429571.db2.gz PBGAVDUEAKNTFW-DRDHIDPGSA-N 0 3 291.391 2.329 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC[C@@H](CCC)C2)C1=O ZINC000337168397 366049209 /nfs/dbraw/zinc/04/92/09/366049209.db2.gz DBDYJAXYBWYPCF-ZIAGYGMSSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCN1CC[C@H](N2CCC[C@H](C(C)C)C2)C1=O ZINC000337182922 366058470 /nfs/dbraw/zinc/05/84/70/366058470.db2.gz BMPKBQFXFAEQRJ-KBPBESRZSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCSCCN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000122872270 187057180 /nfs/dbraw/zinc/05/71/80/187057180.db2.gz AYOSRJOJRRTBQQ-ZDUSSCGKSA-N 0 3 299.461 2.358 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)c2sccc2C#N)CCN1C ZINC000123237440 187079869 /nfs/dbraw/zinc/07/98/69/187079869.db2.gz CHAYPSPIDQYOML-JQWIXIFHSA-N 0 3 277.393 2.174 20 30 CEEDHN C=CCN(CCC1OCCO1)Cc1cccc(C#N)c1 ZINC000123970977 187116343 /nfs/dbraw/zinc/11/63/43/187116343.db2.gz KLIQKBDVBCNUNT-UHFFFAOYSA-N 0 3 272.348 2.309 20 30 CEEDHN C=CCOc1cccc(CNC2CN(c3ccncn3)C2)c1 ZINC000631258407 352042609 /nfs/dbraw/zinc/04/26/09/352042609.db2.gz RVQVAWCDCHDIBD-UHFFFAOYSA-N 0 3 296.374 2.020 20 30 CEEDHN C#CCN(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000072801418 363166013 /nfs/dbraw/zinc/16/60/13/363166013.db2.gz KFMSRZJMLRVRKG-UHFFFAOYSA-N 0 3 258.365 2.229 20 30 CEEDHN C=CCN(CCCN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000271486032 191168156 /nfs/dbraw/zinc/16/81/56/191168156.db2.gz TYOIYYHXBMBNPU-UHFFFAOYSA-N 0 3 284.359 2.323 20 30 CEEDHN C=CCN(C[C@@H](O)COc1ccccc1F)C1CC1 ZINC000271493304 191172972 /nfs/dbraw/zinc/17/29/72/191172972.db2.gz UUPBJDUZEXZIQS-CYBMUJFWSA-N 0 3 265.328 2.216 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)CNC1CC1 ZINC000237823111 539871107 /nfs/dbraw/zinc/87/11/07/539871107.db2.gz LSDXDYADIPFSHR-UHFFFAOYSA-N 0 3 262.328 2.092 20 30 CEEDHN COCC(C)(C)N(C)CCOc1ccc(C#N)cc1 ZINC000292241877 198214255 /nfs/dbraw/zinc/21/42/55/198214255.db2.gz WWPDLAHGPDNQMB-UHFFFAOYSA-N 0 3 262.353 2.294 20 30 CEEDHN C#CCSCCNCc1cnc(N(CC)CC)s1 ZINC000152929034 188053689 /nfs/dbraw/zinc/05/36/89/188053689.db2.gz OPZUOMVJOAMTBN-UHFFFAOYSA-N 0 3 283.466 2.445 20 30 CEEDHN CN(C(=O)/C=C/c1cccc(C#N)c1)[C@@H]1CCCN(C)C1 ZINC000153708781 188099047 /nfs/dbraw/zinc/09/90/47/188099047.db2.gz YCIXBLNMRYNROQ-ROJDOSBLSA-N 0 3 283.375 2.124 20 30 CEEDHN C#CCSCCNCc1ccccc1NC(C)=O ZINC000160476054 188475194 /nfs/dbraw/zinc/47/51/94/188475194.db2.gz HFVBGOJAYRQTHA-UHFFFAOYSA-N 0 3 262.378 2.101 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000338118686 366198664 /nfs/dbraw/zinc/19/86/64/366198664.db2.gz RFMKQVADUBAAMR-DOMZBBRYSA-N 0 3 283.375 2.175 20 30 CEEDHN C=CCCN(CCO)Cc1ccc(OC)cc1OC ZINC000133068984 366192986 /nfs/dbraw/zinc/19/29/86/366192986.db2.gz ZYUQAWJTSRFRLI-UHFFFAOYSA-N 0 3 265.353 2.074 20 30 CEEDHN N#CC1(F)CCN(C[C@H](O)C2CCCCC2)CC1 ZINC000352492385 283047439 /nfs/dbraw/zinc/04/74/39/283047439.db2.gz XLPZYBZAIBBRSL-ZDUSSCGKSA-N 0 3 254.349 2.255 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000268878606 283146913 /nfs/dbraw/zinc/14/69/13/283146913.db2.gz XCGOTAHGUVSGNA-CQSZACIVSA-N 0 3 252.321 2.449 20 30 CEEDHN C=CCN1CCC(NC(=O)c2coc(CCC)n2)CC1 ZINC000273610979 192229986 /nfs/dbraw/zinc/22/99/86/192229986.db2.gz NURRDKJLAKPGLU-UHFFFAOYSA-N 0 3 277.368 2.007 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1cccc(C#N)c1F ZINC000338296621 366279488 /nfs/dbraw/zinc/27/94/88/366279488.db2.gz OLKHZJAONAQUOQ-QWRGUYRKSA-N 0 3 278.327 2.375 20 30 CEEDHN N#Cc1cnc(N2CCC[C@@H](N3CCCC3)C2)c(F)c1 ZINC000413062361 283231215 /nfs/dbraw/zinc/23/12/15/283231215.db2.gz PGZKDTFKZXGIIU-CYBMUJFWSA-N 0 3 274.343 2.157 20 30 CEEDHN C=CC[C@H](CO)NCc1c[nH]nc1-c1ccccc1 ZINC000320631373 538788771 /nfs/dbraw/zinc/78/87/71/538788771.db2.gz KMWGEVFRHHCFBC-CQSZACIVSA-N 0 3 257.337 2.103 20 30 CEEDHN CS[C@H]1CCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000294475523 199054155 /nfs/dbraw/zinc/05/41/55/199054155.db2.gz WJSNTCLCQVLTPG-UONOGXRCSA-N 0 3 262.378 2.029 20 30 CEEDHN NC(=O)[C@H]1CCCC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000130876333 283346570 /nfs/dbraw/zinc/34/65/70/283346570.db2.gz BZWAAKISNDKJQE-GJZGRUSLSA-N 0 3 290.794 2.325 20 30 CEEDHN COc1ccc(CN[C@H](C)CSC)cc1C#N ZINC000135189562 366405541 /nfs/dbraw/zinc/40/55/41/366405541.db2.gz FLOJYIAHKZWZFY-SNVBAGLBSA-N 0 3 250.367 2.408 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000578111540 366444729 /nfs/dbraw/zinc/44/47/29/366444729.db2.gz GJWOFLHXIRJGKB-MGPQQGTHSA-N 0 3 269.348 2.074 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCCO1)C(C)C ZINC000338632616 366449091 /nfs/dbraw/zinc/44/90/91/366449091.db2.gz JJROSQWDLQEQMN-HNNXBMFYSA-N 0 3 295.427 2.422 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)Cc1ccc(C#N)cc1 ZINC000341051833 215814568 /nfs/dbraw/zinc/81/45/68/215814568.db2.gz FGRNDMVCCCCCSA-HUUCEWRRSA-N 0 3 299.418 2.480 20 30 CEEDHN N#Cc1ccc(CNCC2(O)CCCCC2)s1 ZINC000135688841 366468371 /nfs/dbraw/zinc/46/83/71/366468371.db2.gz LHVRDDHGYVSNRY-UHFFFAOYSA-N 0 3 250.367 2.405 20 30 CEEDHN Cc1oc(NC(=O)CN[C@@H]2CSC[C@@H]2C)c(C#N)c1C ZINC000352819069 219659309 /nfs/dbraw/zinc/65/93/09/219659309.db2.gz WFSUXLLHDPERNB-QPUJVOFHSA-N 0 3 293.392 2.048 20 30 CEEDHN C=CCN(CC[C@@H]1CCNC1=O)Cc1ccccc1 ZINC000578956297 366570268 /nfs/dbraw/zinc/57/02/68/366570268.db2.gz YNVPEKNDSDKPLN-HNNXBMFYSA-N 0 3 258.365 2.201 20 30 CEEDHN Cc1cc(C#N)cc(NC[C@H](c2ccsc2)N(C)C)n1 ZINC000341740231 216084240 /nfs/dbraw/zinc/08/42/40/216084240.db2.gz DXQOFZGVDBSSSC-CQSZACIVSA-N 0 3 286.404 2.460 20 30 CEEDHN CCCN(Cc1ccc(C#N)cc1)[C@@H]1CCCCNC1=O ZINC000297894467 200300297 /nfs/dbraw/zinc/30/02/97/200300297.db2.gz OKGXFOUCZSTIBA-MRXNPFEDSA-N 0 3 285.391 2.439 20 30 CEEDHN C=CCCCCCN(C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000150890531 366603452 /nfs/dbraw/zinc/60/34/52/366603452.db2.gz GWDHMNGPANGUSZ-GFCCVEGCSA-N 0 3 281.400 2.041 20 30 CEEDHN C[C@@H](Cc1ccc(O)cc1)NC[C@H](C#N)CCC#N ZINC000579344790 366630146 /nfs/dbraw/zinc/63/01/46/366630146.db2.gz KJWAINZQYANYDD-JSGCOSHPSA-N 0 3 257.337 2.356 20 30 CEEDHN CC(C)N(CCC#N)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000579685829 366683616 /nfs/dbraw/zinc/68/36/16/366683616.db2.gz MOQRDAWJZDUTGG-HZSPNIEDSA-N 0 3 265.401 2.398 20 30 CEEDHN C#CCOc1ccccc1CN1CCCO[C@H](C)C1 ZINC000179399305 189191373 /nfs/dbraw/zinc/19/13/73/189191373.db2.gz QEELDKJZFUSVOD-CQSZACIVSA-N 0 3 259.349 2.309 20 30 CEEDHN C#CCOc1ccccc1CN1CCC[C@@H]1CC(=O)OC ZINC000179893879 189226231 /nfs/dbraw/zinc/22/62/31/189226231.db2.gz HTYYULWMRKJZQX-OAHLLOKOSA-N 0 3 287.359 2.226 20 30 CEEDHN C#CCN[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000180026001 189233393 /nfs/dbraw/zinc/23/33/93/189233393.db2.gz AZAWJDLBVZVEFV-ZWNOBZJWSA-N 0 3 258.321 2.080 20 30 CEEDHN COCC#CCN(C)[C@H](C)Cc1ccccc1OC ZINC000677820226 541046901 /nfs/dbraw/zinc/04/69/01/541046901.db2.gz JMGGFEZWYLVVRO-CQSZACIVSA-N 0 3 261.365 2.208 20 30 CEEDHN CC(C)CC(=O)N1CCC(NC[C@@H](C#N)CCC#N)CC1 ZINC000579943607 366726181 /nfs/dbraw/zinc/72/61/81/366726181.db2.gz MELWVMTXLRODRA-CQSZACIVSA-N 0 3 290.411 2.057 20 30 CEEDHN CN(C)CCn1cc(Nc2ccc(Cl)c(C#N)n2)cn1 ZINC000301536288 201054664 /nfs/dbraw/zinc/05/46/64/201054664.db2.gz QYEUTUXKNUGZLS-UHFFFAOYSA-N 0 3 290.758 2.108 20 30 CEEDHN CN(CCN1CCCC1)c1ccc(Cl)c(C#N)n1 ZINC000301553071 201065872 /nfs/dbraw/zinc/06/58/72/201065872.db2.gz VZGHGPJUEBJDAO-UHFFFAOYSA-N 0 3 264.760 2.139 20 30 CEEDHN CC[C@@H]1CN(C)CCN1Cc1ccc(F)c(C#N)c1 ZINC000581764456 366820449 /nfs/dbraw/zinc/82/04/49/366820449.db2.gz ROEFTFVNISOYSH-CQSZACIVSA-N 0 3 261.344 2.223 20 30 CEEDHN Cc1nc(C(C#N)C(=O)Nc2ccccn2)sc1C ZINC000155660786 366820965 /nfs/dbraw/zinc/82/09/65/366820965.db2.gz XXAGVWCZAKWHLS-SNVBAGLBSA-N 0 3 272.333 2.401 20 30 CEEDHN COC(=O)C1CCN(CCCC(C)(C)C#N)CC1 ZINC000087607094 363861832 /nfs/dbraw/zinc/86/18/32/363861832.db2.gz RNKVVWWYFZDQEC-UHFFFAOYSA-N 0 3 252.358 2.201 20 30 CEEDHN C=CC[N@@H+](CCCOC([O-])=NC(N)=O)CC1CCCCC1 ZINC000093173555 364150100 /nfs/dbraw/zinc/15/01/00/364150100.db2.gz JZNZWUUQAQFAHV-UHFFFAOYSA-N 0 3 297.399 2.250 20 30 CEEDHN C=CC[N@H+](CCCOC([O-])=NC(N)=O)CC1CCCCC1 ZINC000093173555 364150109 /nfs/dbraw/zinc/15/01/09/364150109.db2.gz JZNZWUUQAQFAHV-UHFFFAOYSA-N 0 3 297.399 2.250 20 30 CEEDHN C=CC[N@@H+](CCCOC(=O)N=C(N)[O-])CC1CCCCC1 ZINC000093173555 364150113 /nfs/dbraw/zinc/15/01/13/364150113.db2.gz JZNZWUUQAQFAHV-UHFFFAOYSA-N 0 3 297.399 2.250 20 30 CEEDHN C=CC[N@H+](CCCOC(=O)N=C(N)[O-])CC1CCCCC1 ZINC000093173555 364150121 /nfs/dbraw/zinc/15/01/21/364150121.db2.gz JZNZWUUQAQFAHV-UHFFFAOYSA-N 0 3 297.399 2.250 20 30 CEEDHN C=CCOc1ccc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc1 ZINC000237648495 370741554 /nfs/dbraw/zinc/74/15/54/370741554.db2.gz OVWZUXSLZLIAFE-STQMWFEESA-N 0 3 274.364 2.074 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CCOc2ccc(CN)cc21 ZINC000638807521 370765212 /nfs/dbraw/zinc/76/52/12/370765212.db2.gz KXEKAVSWFIFGGU-LBPRGKRZSA-N 0 3 274.364 2.473 20 30 CEEDHN CC#CCN1C[C@H](C(=O)NCCCC)CC[C@@H]1C ZINC000157791895 366849283 /nfs/dbraw/zinc/84/92/83/366849283.db2.gz CUGPMCUJCWOGLU-UONOGXRCSA-N 0 3 250.386 2.027 20 30 CEEDHN C[C@@H](N[C@H](C)c1ccccc1)C(=O)N(C)CCC#N ZINC000112545297 364813597 /nfs/dbraw/zinc/81/35/97/364813597.db2.gz TYHHXBQFIFLDEK-CHWSQXEVSA-N 0 3 259.353 2.098 20 30 CEEDHN C=C(C)CN1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000112701227 364830184 /nfs/dbraw/zinc/83/01/84/364830184.db2.gz UDIVEBFHTOBNLE-ZDUSSCGKSA-N 0 3 252.402 2.437 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)c2cc(C#N)ccc2Cl)CCN1C ZINC000335707014 364862374 /nfs/dbraw/zinc/86/23/74/364862374.db2.gz CZLXCUGPOBNSFP-JQWIXIFHSA-N 0 3 291.782 2.424 20 30 CEEDHN C[C@H]1C[C@@H](CO)CN(Cc2ccc(C#N)s2)C1 ZINC000335613157 212326090 /nfs/dbraw/zinc/32/60/90/212326090.db2.gz LUIUANCZIULHMX-WDEREUQCSA-N 0 3 250.367 2.070 20 30 CEEDHN C[C@]1(O)CCCN(Cc2cc(C#N)cs2)CC1 ZINC000335759562 364941964 /nfs/dbraw/zinc/94/19/64/364941964.db2.gz ZAFRDKAONYRDLJ-ZDUSSCGKSA-N 0 3 250.367 2.357 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](C(C)C)CC1 ZINC000114729566 364961099 /nfs/dbraw/zinc/96/10/99/364961099.db2.gz IIKZRUFWHOFXSJ-UONOGXRCSA-N 0 3 295.427 2.145 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)s2)CCN1C ZINC000335780698 364973243 /nfs/dbraw/zinc/97/32/43/364973243.db2.gz DKVXMLIAQGGEOO-QWRGUYRKSA-N 0 3 277.393 2.174 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CCN1C ZINC000335848533 365065556 /nfs/dbraw/zinc/06/55/56/365065556.db2.gz HNVBTBOXCGGCSP-CJNGLKHVSA-N 0 3 297.402 2.189 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(C)c1C ZINC000115603453 365019429 /nfs/dbraw/zinc/01/94/29/365019429.db2.gz WCANFSXGLNCKRF-UONOGXRCSA-N 0 3 258.365 2.092 20 30 CEEDHN C=C(C)CN(CC)CCn1cnc2ccccc2c1=O ZINC000117333587 365103519 /nfs/dbraw/zinc/10/35/19/365103519.db2.gz TUNTYFSBEPDIAC-UHFFFAOYSA-N 0 3 271.364 2.295 20 30 CEEDHN C[C@H](N[C@@H]1CNCCC1(F)F)c1cccc(C#N)c1 ZINC000335571044 212280893 /nfs/dbraw/zinc/28/08/93/212280893.db2.gz YBBFUOLXACUGQD-GXFFZTMASA-N 0 3 265.307 2.206 20 30 CEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(C#N)cs1 ZINC000335917203 365157930 /nfs/dbraw/zinc/15/79/30/365157930.db2.gz DVKJKWWUJVNSEY-AAEUAGOBSA-N 0 3 289.404 2.319 20 30 CEEDHN CN(C)CCOc1ccc(NC(=O)C2(C#N)CCC2)cc1 ZINC000118978243 365194576 /nfs/dbraw/zinc/19/45/76/365194576.db2.gz DATURHLBDKAENM-UHFFFAOYSA-N 0 3 287.363 2.259 20 30 CEEDHN CCC[C@@H](O)CNC1CC(C#N)(c2ccccc2)C1 ZINC000119241379 365241498 /nfs/dbraw/zinc/24/14/98/365241498.db2.gz KYBGQFYDNIAQLC-HWOWSKLDSA-N 0 3 258.365 2.361 20 30 CEEDHN CCN1CCCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000336040377 365328387 /nfs/dbraw/zinc/32/83/87/365328387.db2.gz KLGTUXZGCYOKDR-AWEZNQCLSA-N 0 3 285.391 2.216 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)CCN1C ZINC000336003301 365277059 /nfs/dbraw/zinc/27/70/59/365277059.db2.gz HXFXEYWSVVEVLB-MFKMUULPSA-N 0 3 290.342 2.302 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C(C)C)C1CCOCC1 ZINC000119683191 365309440 /nfs/dbraw/zinc/30/94/40/365309440.db2.gz SGAHMSXEMRGWOB-UHFFFAOYSA-N 0 3 280.412 2.076 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)C#N ZINC000119995202 365357873 /nfs/dbraw/zinc/35/78/73/365357873.db2.gz SOQGJQBVADKWSH-HIFRSBDPSA-N 0 3 285.391 2.173 20 30 CEEDHN C#CCN(C(=O)NCCN(CC)C1CC1)C1CCCC1 ZINC000119997204 365358967 /nfs/dbraw/zinc/35/89/67/365358967.db2.gz CKHFSZCNNPTLHG-UHFFFAOYSA-N 0 3 277.412 2.058 20 30 CEEDHN CNC(=O)[C@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000336106998 365416312 /nfs/dbraw/zinc/41/63/12/365416312.db2.gz RTNCJURIBBUELT-XHDPSFHLSA-N 0 3 271.364 2.050 20 30 CEEDHN N#Cc1nn(CCN2CCCCC2)c2ccccc12 ZINC000336137564 365461804 /nfs/dbraw/zinc/46/18/04/365461804.db2.gz XKAFGXTZNCMMEQ-UHFFFAOYSA-N 0 3 254.337 2.394 20 30 CEEDHN C=CCN[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000275768631 193123811 /nfs/dbraw/zinc/12/38/11/193123811.db2.gz UOAZTLJGRSEJGC-LLVKDONJSA-N 0 3 253.367 2.317 20 30 CEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cscc1C#N ZINC000336114297 365427286 /nfs/dbraw/zinc/42/72/86/365427286.db2.gz DRIRXKALEYDHRA-AAEUAGOBSA-N 0 3 289.404 2.319 20 30 CEEDHN C[C@H](O)C[C@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000159232180 366891926 /nfs/dbraw/zinc/89/19/26/366891926.db2.gz WZEWWROOIGJXOO-SMDDNHRTSA-N 0 3 262.328 2.433 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccc(C#N)nn1 ZINC000160236753 366985901 /nfs/dbraw/zinc/98/59/01/366985901.db2.gz JHHPVQXRNZOJBW-CJNGLKHVSA-N 0 3 293.374 2.281 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCCCO1)C(C)C ZINC000161191717 367066311 /nfs/dbraw/zinc/06/63/11/367066311.db2.gz OEDQTEQSHZWQCG-HZPDHXFCSA-N 0 3 294.439 2.370 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000357830264 370831261 /nfs/dbraw/zinc/83/12/61/370831261.db2.gz PQPBGHSWYARAGH-CYBMUJFWSA-N 0 3 286.379 2.238 20 30 CEEDHN C[C@@H](Nc1cc(C#N)ncn1)[C@H](c1ccccc1)N(C)C ZINC000588037190 367190283 /nfs/dbraw/zinc/19/02/83/367190283.db2.gz UTQZIVHKIOGZGR-MLGOLLRUSA-N 0 3 281.363 2.452 20 30 CEEDHN COc1ccccc1[C@H](CO)NCCc1ccc(C#N)cc1 ZINC000595431908 367206373 /nfs/dbraw/zinc/20/63/73/367206373.db2.gz TVTBCZNRRVJAFQ-KRWDZBQOSA-N 0 3 296.370 2.433 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cnc(N(CC)CC)s1 ZINC000341261891 367252870 /nfs/dbraw/zinc/25/28/70/367252870.db2.gz DVVBNZBZWKFMJK-GFCCVEGCSA-N 0 3 283.441 2.264 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(C)CCN1CCCC1 ZINC000341464508 367345579 /nfs/dbraw/zinc/34/55/79/367345579.db2.gz LUKRYRQVAPTKJI-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN Cc1cc(C#N)cc(NC[C@@H](Cc2ccccc2)N(C)C)n1 ZINC000341354205 367301017 /nfs/dbraw/zinc/30/10/17/367301017.db2.gz XBAQNNMDVHFNNK-QGZVFWFLSA-N 0 3 294.402 2.268 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)Nc2ccc(C#N)cc2)CCCN1C ZINC000342359384 367402750 /nfs/dbraw/zinc/40/27/50/367402750.db2.gz PXAYXFZQYDAHNO-FZMZJTMJSA-N 0 3 272.352 2.162 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000342395651 367405444 /nfs/dbraw/zinc/40/54/44/367405444.db2.gz CYZDJCRFEBLHBZ-KBPBESRZSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2CC=CC[C@H]2C)CC1 ZINC000342468796 367411452 /nfs/dbraw/zinc/41/14/52/367411452.db2.gz DQBQIQPUBSKPCZ-HIFRSBDPSA-N 0 3 262.397 2.355 20 30 CEEDHN C=CC[C@H](C)NC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000342481007 367413278 /nfs/dbraw/zinc/41/32/78/367413278.db2.gz OZYVMHRFADRUOH-ZDUSSCGKSA-N 0 3 297.443 2.140 20 30 CEEDHN C=CCCN(C)[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000342720356 367499706 /nfs/dbraw/zinc/49/97/06/367499706.db2.gz LCSJDJHRXZNDKR-ZDUSSCGKSA-N 0 3 279.384 2.410 20 30 CEEDHN C=CCn1cccc1C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000342749717 367513910 /nfs/dbraw/zinc/51/39/10/367513910.db2.gz ZYIADJLBBSUALE-CABCVRRESA-N 0 3 287.407 2.373 20 30 CEEDHN C[C@@H](NCc1cnc2ccc(C#N)cn12)[C@@H]1CCCCO1 ZINC000342768262 367523090 /nfs/dbraw/zinc/52/30/90/367523090.db2.gz KCYCBSJFPIDIJP-DOMZBBRYSA-N 0 3 284.363 2.253 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(F)ccc2OC)CC1 ZINC000171720974 367602425 /nfs/dbraw/zinc/60/24/25/367602425.db2.gz CVDSFPBRJGXRPL-UHFFFAOYSA-N 0 3 292.354 2.215 20 30 CEEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC000572497536 299374094 /nfs/dbraw/zinc/37/40/94/299374094.db2.gz SWDGGEYPGKKYIF-HIFRSBDPSA-N 0 3 293.374 2.018 20 30 CEEDHN CN(C)[C@@H](CNCc1ccc(C#N)o1)Cc1ccccc1 ZINC000343055045 367648954 /nfs/dbraw/zinc/64/89/54/367648954.db2.gz RNIVJYUHAHNHBS-OAHLLOKOSA-N 0 3 283.375 2.414 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000343352536 367768383 /nfs/dbraw/zinc/76/83/83/367768383.db2.gz VSAQPDPTJUJGSL-OXHMUOHRSA-N 0 3 280.274 2.071 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)/C=C/c1ccccc1C#N ZINC000172602523 367786767 /nfs/dbraw/zinc/78/67/67/367786767.db2.gz WDNNQVLNZJJIAR-KPBXEYHCSA-N 0 3 297.402 2.370 20 30 CEEDHN CCc1ccc(NC(=O)C(C#N)c2ccncn2)cc1 ZINC000358054510 370888067 /nfs/dbraw/zinc/88/80/67/370888067.db2.gz LCGAORBLQLZTHS-ZDUSSCGKSA-N 0 3 266.304 2.285 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343419316 367804077 /nfs/dbraw/zinc/80/40/77/367804077.db2.gz PWIYCWRDQNVBKD-SWLSCSKDSA-N 0 3 271.364 2.079 20 30 CEEDHN COCCOC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000343546460 367877129 /nfs/dbraw/zinc/87/71/29/367877129.db2.gz GDQKBDPGYVVSEK-UHFFFAOYSA-N 0 3 288.391 2.380 20 30 CEEDHN C[C@H](NCCNC(=O)c1ccco1)c1ccc(C#N)cc1 ZINC000173867890 367952829 /nfs/dbraw/zinc/95/28/29/367952829.db2.gz HCNJAODBWSTJEM-LBPRGKRZSA-N 0 3 283.331 2.232 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H]2C(C)C)CC1 ZINC000343689992 367956007 /nfs/dbraw/zinc/95/60/07/367956007.db2.gz HWTOMJSLGSDTNF-CQSZACIVSA-N 0 3 265.401 2.077 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC23CC3)CC1 ZINC000633043031 368032277 /nfs/dbraw/zinc/03/22/77/368032277.db2.gz XUCUCSMOHMJJDO-CQSZACIVSA-N 0 3 277.412 2.269 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000344105575 368109094 /nfs/dbraw/zinc/10/90/94/368109094.db2.gz JOZLWPWSYYSYIE-YNEHKIRRSA-N 0 3 270.442 2.093 20 30 CEEDHN CO[C@H](C)CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000344153265 368111616 /nfs/dbraw/zinc/11/16/16/368111616.db2.gz KSYXHRKNVWECJJ-HIFRSBDPSA-N 0 3 274.364 2.252 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](C(C)(C)C)C1 ZINC000344183384 368113014 /nfs/dbraw/zinc/11/30/14/368113014.db2.gz AFRXBZULQJWRDZ-CYBMUJFWSA-N 0 3 265.401 2.117 20 30 CEEDHN C=CCCC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344732391 368134195 /nfs/dbraw/zinc/13/41/95/368134195.db2.gz SLSJGYZWMVTVQX-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NCCN1CCCCC1 ZINC000345378363 368255055 /nfs/dbraw/zinc/25/50/55/368255055.db2.gz VUZVDVXLQDKBBB-ZDUSSCGKSA-N 0 3 253.390 2.126 20 30 CEEDHN CC(C)[C@@H](CNCc1cc(C#N)cs1)N1CCOCC1 ZINC000177682804 368279085 /nfs/dbraw/zinc/27/90/85/368279085.db2.gz JWSISVIRHZSVJL-OAHLLOKOSA-N 0 3 293.436 2.066 20 30 CEEDHN CN(C)[C@H]1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000180236847 368373443 /nfs/dbraw/zinc/37/34/43/368373443.db2.gz NQXOOWDYEBBPMC-INIZCTEOSA-N 0 3 297.402 2.408 20 30 CEEDHN C[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)N(C)C1CC1 ZINC000180246671 368374760 /nfs/dbraw/zinc/37/47/60/368374760.db2.gz YZMBKHCVNFJDPL-ZDUSSCGKSA-N 0 3 297.402 2.454 20 30 CEEDHN CC(C)(C#N)CCN1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000345760376 368408308 /nfs/dbraw/zinc/40/83/08/368408308.db2.gz ULQZMCXLSOADGW-ZFWWWQNUSA-N 0 3 289.423 2.402 20 30 CEEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)cc2)C[C@H]1C ZINC000346174585 368577319 /nfs/dbraw/zinc/57/73/19/368577319.db2.gz UROWTWLFGJJLHG-KGLIPLIRSA-N 0 3 257.381 2.473 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000287269652 376193176 /nfs/dbraw/zinc/19/31/76/376193176.db2.gz HRUJJOPNGAILPC-MRXNPFEDSA-N 0 3 283.375 2.003 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000347311195 368806165 /nfs/dbraw/zinc/80/61/65/368806165.db2.gz LRBBYEDHPVSNHX-OAGGEKHMSA-N 0 3 292.423 2.101 20 30 CEEDHN C=CCOc1ccc(CN2C[C@@H]3COC[C@@H]3C2)cc1OC ZINC000634747658 368860728 /nfs/dbraw/zinc/86/07/28/368860728.db2.gz UTOZGTWGWGYIPD-GASCZTMLSA-N 0 3 289.375 2.338 20 30 CEEDHN C=CCOCCCN1CCC(c2nncn2CC)CC1 ZINC000348041163 368870333 /nfs/dbraw/zinc/87/03/33/368870333.db2.gz WUFOAXRRAABUPD-UHFFFAOYSA-N 0 3 278.400 2.070 20 30 CEEDHN C#C[C@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000185970937 368896582 /nfs/dbraw/zinc/89/65/82/368896582.db2.gz CJBZPWIJOYVLGI-HOCLYGCPSA-N 0 3 285.391 2.144 20 30 CEEDHN CN(CCn1ccn2ncc(C#N)c12)Cc1ccc(F)cc1 ZINC000348006243 368854858 /nfs/dbraw/zinc/85/48/58/368854858.db2.gz GRNGRFXWMVRLEM-UHFFFAOYSA-N 0 3 297.337 2.279 20 30 CEEDHN CCOC(=O)N1CC[C@@H](N[C@H](C)c2cccc(C#N)c2)C1 ZINC000186465006 368978974 /nfs/dbraw/zinc/97/89/74/368978974.db2.gz RQLVQXOZYZDORQ-IUODEOHRSA-N 0 3 287.363 2.440 20 30 CEEDHN C[C@@H]1C[C@H](C)CN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000330714238 203143855 /nfs/dbraw/zinc/14/38/55/203143855.db2.gz ZRLDCNFVAQBTAS-OKILXGFUSA-N 0 3 285.391 2.152 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCn1cccn1 ZINC000187690027 369204334 /nfs/dbraw/zinc/20/43/34/369204334.db2.gz LTLIWLOWYJMBMH-ZDUSSCGKSA-N 0 3 254.337 2.448 20 30 CEEDHN C(#Cc1ccccc1)CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000683003010 541750041 /nfs/dbraw/zinc/75/00/41/541750041.db2.gz RXAZXARCMMWOSC-IBGZPJMESA-N 0 3 298.430 2.225 20 30 CEEDHN CC(C)OCC[C@@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000349246173 369279467 /nfs/dbraw/zinc/27/94/67/369279467.db2.gz WOGJQDGJWVTAKW-MRXNPFEDSA-N 0 3 276.380 2.166 20 30 CEEDHN C=CC[C@H](CO)CN[C@H](c1ccccc1)c1cncnc1 ZINC000349771762 369394229 /nfs/dbraw/zinc/39/42/29/369394229.db2.gz ABLHUXIKMPBEFH-WMLDXEAASA-N 0 3 283.375 2.340 20 30 CEEDHN CN(CC#Cc1cccc(Cl)c1)C1(CO)CCOCC1 ZINC000190983562 369666922 /nfs/dbraw/zinc/66/69/22/369666922.db2.gz QKOVPVBTPMEFFE-UHFFFAOYSA-N 0 3 293.794 2.165 20 30 CEEDHN Cn1cc(CN2CCN(C)CC23CCCCC3)cc1C#N ZINC000191434850 369712470 /nfs/dbraw/zinc/71/24/70/369712470.db2.gz BALFXIQORXQVRU-UHFFFAOYSA-N 0 3 286.423 2.347 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000637321180 369898083 /nfs/dbraw/zinc/89/80/83/369898083.db2.gz UILILEPROOCNAK-CQSZACIVSA-N 0 3 279.428 2.467 20 30 CEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NCc1nc(C#N)cs1 ZINC000352856480 369916100 /nfs/dbraw/zinc/91/61/00/369916100.db2.gz XBZUMZICWLQKOH-FRRDWIJNSA-N 0 3 292.452 2.471 20 30 CEEDHN C=CCC1(NC(=O)NC[C@H]2CCCN2C)CCCC1 ZINC000637380469 369922335 /nfs/dbraw/zinc/92/23/35/369922335.db2.gz YJEQDZDPNQIAAB-CYBMUJFWSA-N 0 3 265.401 2.269 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@](C)(CO)C(C)C ZINC000352897930 369940280 /nfs/dbraw/zinc/94/02/80/369940280.db2.gz ZNAHIPMHLJSFEB-HNNXBMFYSA-N 0 3 262.353 2.063 20 30 CEEDHN CCCN1CCC[C@H]1CNc1nccc(C#N)c1Cl ZINC000343913017 216976163 /nfs/dbraw/zinc/97/61/63/216976163.db2.gz MTLPKBWXZLIZNX-LBPRGKRZSA-N 0 3 278.787 2.315 20 30 CEEDHN C[C@H](Cn1cccn1)NCc1ccc(F)c(C#N)c1 ZINC000229749987 370431511 /nfs/dbraw/zinc/43/15/11/370431511.db2.gz GLNLTVAWZWNWPR-LLVKDONJSA-N 0 3 258.300 2.072 20 30 CEEDHN CNC(=O)[C@]1(C)CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000228069906 370396052 /nfs/dbraw/zinc/39/60/52/370396052.db2.gz YYBJXTLHRGQNGS-OAHLLOKOSA-N 0 3 291.782 2.170 20 30 CEEDHN Cc1nc([C@@H]2CCCN(Cc3cc(C#N)cs3)C2)n[nH]1 ZINC000355179109 370535534 /nfs/dbraw/zinc/53/55/34/370535534.db2.gz VCZCSQSOAXTVPW-GFCCVEGCSA-N 0 3 287.392 2.426 20 30 CEEDHN Cc1n[nH]c([C@@H]2CCCN(Cc3cc(C#N)cs3)C2)n1 ZINC000355179109 370535537 /nfs/dbraw/zinc/53/55/37/370535537.db2.gz VCZCSQSOAXTVPW-GFCCVEGCSA-N 0 3 287.392 2.426 20 30 CEEDHN Cc1nnc([C@@H]2CCCN(Cc3cc(C#N)cs3)C2)[nH]1 ZINC000355179109 370535540 /nfs/dbraw/zinc/53/55/40/370535540.db2.gz VCZCSQSOAXTVPW-GFCCVEGCSA-N 0 3 287.392 2.426 20 30 CEEDHN N#Cc1cc(CN[C@H]2CCO[C@@H]2C2CC2)ccc1F ZINC000236161955 370584640 /nfs/dbraw/zinc/58/46/40/370584640.db2.gz BFVWXWBARDNJKI-LSDHHAIUSA-N 0 3 260.312 2.354 20 30 CEEDHN C=C(C)CN1CCC(NCc2cc(OC)ns2)CC1 ZINC000638525275 370591786 /nfs/dbraw/zinc/59/17/86/370591786.db2.gz WMSWGAJVMRHJPC-UHFFFAOYSA-N 0 3 281.425 2.282 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000355784468 370615366 /nfs/dbraw/zinc/61/53/66/370615366.db2.gz PPCUNJTVMJBHGN-ORIJERBGSA-N 0 3 279.428 2.407 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C(C)(C)CC ZINC000358455372 371073560 /nfs/dbraw/zinc/07/35/60/371073560.db2.gz XXNPXPJXYZIVTL-GFCCVEGCSA-N 0 3 253.390 2.115 20 30 CEEDHN CN(C)CCNc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000358460592 371076134 /nfs/dbraw/zinc/07/61/34/371076134.db2.gz FHPJEZDEDLOBPR-UHFFFAOYSA-N 0 3 276.290 2.358 20 30 CEEDHN C[C@H](NC[C@H](O)C1CCOCC1)c1ccc(C#N)cc1F ZINC000358575572 371124710 /nfs/dbraw/zinc/12/47/10/371124710.db2.gz SYGKDEDWVQEQAB-ZBEGNZNMSA-N 0 3 292.354 2.135 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC(CC)CC2)CC1 ZINC000358825257 371236926 /nfs/dbraw/zinc/23/69/26/371236926.db2.gz GIJBBDFYXVDTAH-UHFFFAOYSA-N 0 3 279.428 2.468 20 30 CEEDHN Cn1cc(CN2CC[C@@]3(O)CCCC[C@H]3C2)cc1C#N ZINC000248822197 371250271 /nfs/dbraw/zinc/25/02/71/371250271.db2.gz FVAFRDXOWLXBMO-HOCLYGCPSA-N 0 3 273.380 2.024 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000639572118 371414456 /nfs/dbraw/zinc/41/44/56/371414456.db2.gz MVJDAWKNGOHLLO-RDJZCZTQSA-N 0 3 293.407 2.222 20 30 CEEDHN COc1ccc(CN(C)[C@@H]2CCCC[C@H]2O)cc1C#N ZINC000252940106 371491706 /nfs/dbraw/zinc/49/17/06/371491706.db2.gz ZISWXUBPUBGTIX-HUUCEWRRSA-N 0 3 274.364 2.302 20 30 CEEDHN CCN(CC)C(=O)CCC1CCN(C(=O)C(C)C#N)CC1 ZINC000360738954 371532322 /nfs/dbraw/zinc/53/23/22/371532322.db2.gz OJEDRFAPOVQJSV-CYBMUJFWSA-N 0 3 293.411 2.033 20 30 CEEDHN CC#CCCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000361220271 371723269 /nfs/dbraw/zinc/72/32/69/371723269.db2.gz JZPOZZANWKTQEK-HNNXBMFYSA-N 0 3 273.380 2.002 20 30 CEEDHN Cn1nccc1C(=O)C(C#N)c1nccc2ccccc21 ZINC000361519615 371893274 /nfs/dbraw/zinc/89/32/74/371893274.db2.gz OTURNNSYLOQOSP-ZDUSSCGKSA-N 0 3 276.299 2.458 20 30 CEEDHN C=CCc1cc(CN[C@@H]2CO[C@H](C)C2)cc(OC)c1O ZINC000574398829 335016296 /nfs/dbraw/zinc/01/62/96/335016296.db2.gz ODSYKFZZFABLMG-RISCZKNCSA-N 0 3 277.364 2.396 20 30 CEEDHN CCN(C[C@@H](C)OC)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000361569369 371932782 /nfs/dbraw/zinc/93/27/82/371932782.db2.gz SQBVPYSOVJZKNJ-KGLIPLIRSA-N 0 3 295.427 2.074 20 30 CEEDHN C[C@@H]1C[C@H](CO)CCN1CCOc1ccc(C#N)cc1 ZINC000344134928 217065237 /nfs/dbraw/zinc/06/52/37/217065237.db2.gz RJFVMWQFRWYBGF-UKRRQHHQSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@@H](O)CN1CCN(c2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000266461094 372048274 /nfs/dbraw/zinc/04/82/74/372048274.db2.gz YRTLUDJZKXDCHY-VXGBXAGGSA-N 0 3 293.798 2.103 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC2(C1)CCOCC2 ZINC000266554417 372049428 /nfs/dbraw/zinc/04/94/28/372049428.db2.gz LKRKOWBUKCZFMR-OAHLLOKOSA-N 0 3 292.423 2.078 20 30 CEEDHN COc1cccc([C@@H](C)N[C@H](C)C(=O)N(C)CCC#N)c1 ZINC000264840583 372005924 /nfs/dbraw/zinc/00/59/24/372005924.db2.gz GTTSRURGVPNGQC-CHWSQXEVSA-N 0 3 289.379 2.106 20 30 CEEDHN CC[C@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)N(C)C ZINC000268738035 372202241 /nfs/dbraw/zinc/20/22/41/372202241.db2.gz OORBAHAFRNIGBI-SMDDNHRTSA-N 0 3 259.353 2.076 20 30 CEEDHN C[C@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc(C#N)cc1 ZINC000344301227 217140369 /nfs/dbraw/zinc/14/03/69/217140369.db2.gz RMVOCUGSVAUCOU-SUMWQHHRSA-N 0 3 285.391 2.072 20 30 CEEDHN C[C@H]1CN(CCCCNc2cccc(C#N)n2)C[C@H](C)O1 ZINC000269038501 372321943 /nfs/dbraw/zinc/32/19/43/372321943.db2.gz LOBTZCQQFMUVLD-KBPBESRZSA-N 0 3 288.395 2.255 20 30 CEEDHN C=C(C)CN1CCC(Nc2ncc(F)cn2)CC1 ZINC000269437351 372450035 /nfs/dbraw/zinc/45/00/35/372450035.db2.gz AGTDJMNDLSPFOO-UHFFFAOYSA-N 0 3 250.321 2.068 20 30 CEEDHN C=CCN1CCC(Nc2nc(C)c3ccccc3n2)CC1 ZINC000641359288 372461348 /nfs/dbraw/zinc/46/13/48/372461348.db2.gz OATYIWWCIDTRFE-UHFFFAOYSA-N 0 3 282.391 2.422 20 30 CEEDHN CC(C)Oc1ccc(NC(=O)/C=C/CN(C)C)cc1C#N ZINC000269632325 372512834 /nfs/dbraw/zinc/51/28/34/372512834.db2.gz WLOVOQBWNRLLDF-AATRIKPKSA-N 0 3 287.363 2.402 20 30 CEEDHN CN(CCNCc1cc(C#N)cs1)CC(F)(F)F ZINC000344403544 217182896 /nfs/dbraw/zinc/18/28/96/217182896.db2.gz CVZIFOQTBPIHQO-UHFFFAOYSA-N 0 3 277.315 2.203 20 30 CEEDHN CC[C@H](O)CCCNCc1ccc(C#N)cc1F ZINC000344478642 217205039 /nfs/dbraw/zinc/20/50/39/217205039.db2.gz JEMBMDSPFWBNBT-ZDUSSCGKSA-N 0 3 250.317 2.338 20 30 CEEDHN CC(C)[C@H](O)C(C)(C)CNCc1ccc(C#N)o1 ZINC000269911201 372597652 /nfs/dbraw/zinc/59/76/52/372597652.db2.gz IHDGAZLSYZVHSB-ZDUSSCGKSA-N 0 3 250.342 2.284 20 30 CEEDHN CC#CC[C@H](CO)NCc1c[nH]nc1-c1ccc(F)cc1 ZINC000641769022 372709978 /nfs/dbraw/zinc/70/99/78/372709978.db2.gz OAUBTYZWRHHYEY-OAHLLOKOSA-N 0 3 287.338 2.080 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc(Br)s1 ZINC000641769296 372712451 /nfs/dbraw/zinc/71/24/51/372712451.db2.gz RZVREYRFLPSNLX-VIFPVBQESA-N 0 3 288.210 2.375 20 30 CEEDHN C[C@@]1(CO)CCC[C@@H]1NCc1ccc(C#N)s1 ZINC000344573868 217236101 /nfs/dbraw/zinc/23/61/01/217236101.db2.gz DCPGBYWWQJQXDK-STQMWFEESA-N 0 3 250.367 2.260 20 30 CEEDHN N#Cc1ccc(CN2CCCC[C@H](CO)C2)cc1F ZINC000365262367 372811781 /nfs/dbraw/zinc/81/17/81/372811781.db2.gz AEQDMPGYTULGOH-ZDUSSCGKSA-N 0 3 262.328 2.292 20 30 CEEDHN Cn1cc(CN2CCC([C@H]3CCOC3)CC2)cc1C#N ZINC000365256533 372811843 /nfs/dbraw/zinc/81/18/43/372811843.db2.gz NYCNWVJWMQJFSM-HNNXBMFYSA-N 0 3 273.380 2.145 20 30 CEEDHN CO[C@@H]1C[C@H](NCc2cnc3ccc(C#N)cn23)C1(C)C ZINC000344716527 217286466 /nfs/dbraw/zinc/28/64/66/217286466.db2.gz SHZGYCLCIPEXOE-UONOGXRCSA-N 0 3 284.363 2.109 20 30 CEEDHN C#CCCCN1CCCN(c2nc(CC)ns2)CC1 ZINC000271070570 373103439 /nfs/dbraw/zinc/10/34/39/373103439.db2.gz VMNLZVOUYFMBNG-UHFFFAOYSA-N 0 3 278.425 2.026 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000643391551 373106866 /nfs/dbraw/zinc/10/68/66/373106866.db2.gz ASANBJGYMSNNSD-QZTJIDSGSA-N 0 3 289.419 2.241 20 30 CEEDHN N#Cc1ccc(OCCN2CCC(n3cccn3)CC2)cc1 ZINC000369117423 373337807 /nfs/dbraw/zinc/33/78/07/373337807.db2.gz AENBKNBPAIRNKJ-UHFFFAOYSA-N 0 3 296.374 2.471 20 30 CEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cc1ccc(C#N)cc1 ZINC000272193669 373350658 /nfs/dbraw/zinc/35/06/58/373350658.db2.gz OAVYADQGCQIKQQ-AWEZNQCLSA-N 0 3 299.418 2.289 20 30 CEEDHN N#Cc1ccc(N2CCC[C@H](NCc3cc[nH]c3)C2=O)cc1 ZINC000272604435 373576877 /nfs/dbraw/zinc/57/68/77/373576877.db2.gz SSKVFUYEQMEGTR-INIZCTEOSA-N 0 3 294.358 2.172 20 30 CEEDHN N#Cc1cccnc1N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000370736894 373732267 /nfs/dbraw/zinc/73/22/67/373732267.db2.gz BFDFYQWARVGBPC-FVQHAEBGSA-N 0 3 290.370 2.496 20 30 CEEDHN C=CC[C@H](CO)NCc1conc1Cc1ccccc1 ZINC000645171768 373892886 /nfs/dbraw/zinc/89/28/86/373892886.db2.gz YJJKJJPNMOIIPX-OAHLLOKOSA-N 0 3 272.348 2.292 20 30 CEEDHN N#Cc1ccc2ncc(CN3CC[C@H]([C@H]4CCOC4)C3)n2c1 ZINC000371333096 373845909 /nfs/dbraw/zinc/84/59/09/373845909.db2.gz SNRDWMAKBXVCFO-GJZGRUSLSA-N 0 3 296.374 2.064 20 30 CEEDHN C#C[C@@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000274750991 374036212 /nfs/dbraw/zinc/03/62/12/374036212.db2.gz MOVAKHSDHNEUNT-CQSZACIVSA-N 0 3 270.376 2.424 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000645490343 374080968 /nfs/dbraw/zinc/08/09/68/374080968.db2.gz HLEPWNGEPWEEES-KBPBESRZSA-N 0 3 267.417 2.467 20 30 CEEDHN C#C[C@@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000274762535 374041675 /nfs/dbraw/zinc/04/16/75/374041675.db2.gz PDQJVQQBGGVMCM-CQSZACIVSA-N 0 3 270.376 2.037 20 30 CEEDHN CC(=O)NCC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000275104705 374153483 /nfs/dbraw/zinc/15/34/83/374153483.db2.gz VBMCQUAUBRSBKD-CYBMUJFWSA-N 0 3 285.391 2.467 20 30 CEEDHN CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000275168110 374175140 /nfs/dbraw/zinc/17/51/40/374175140.db2.gz AIIKYFOYBGZTDR-HUUCEWRRSA-N 0 3 287.363 2.044 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000684005241 541906500 /nfs/dbraw/zinc/90/65/00/541906500.db2.gz NUOHXXPEGNPTMB-INIZCTEOSA-N 0 3 289.423 2.336 20 30 CEEDHN CC#CC(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000277263215 374457907 /nfs/dbraw/zinc/45/79/07/374457907.db2.gz ASZJRXQQTJMJHP-MRXNPFEDSA-N 0 3 288.391 2.218 20 30 CEEDHN N#Cc1ccc(NC[C@H]2CCCCN2C2CC2)cn1 ZINC000277456123 374526620 /nfs/dbraw/zinc/52/66/20/374526620.db2.gz ONOOSWMBLOQYGS-OAHLLOKOSA-N 0 3 256.353 2.382 20 30 CEEDHN N#Cc1ccncc1NC[C@H]1CCCCN1C1CC1 ZINC000277546209 374560518 /nfs/dbraw/zinc/56/05/18/374560518.db2.gz XFIPIEUYMXJDCW-CQSZACIVSA-N 0 3 256.353 2.382 20 30 CEEDHN C=CC[C@H]1[N@@H+](CCCOC([O-])=NC(N)=O)CCCC1(C)C ZINC000277780582 374641908 /nfs/dbraw/zinc/64/19/08/374641908.db2.gz NUTHAAQLUPKFSC-GFCCVEGCSA-N 0 3 297.399 2.248 20 30 CEEDHN C=CC[C@H]1[N@H+](CCCOC([O-])=NC(N)=O)CCCC1(C)C ZINC000277780582 374641913 /nfs/dbraw/zinc/64/19/13/374641913.db2.gz NUTHAAQLUPKFSC-GFCCVEGCSA-N 0 3 297.399 2.248 20 30 CEEDHN C=CC[C@H]1[N@@H+](CCCOC(=O)N=C(N)[O-])CCCC1(C)C ZINC000277780582 374641918 /nfs/dbraw/zinc/64/19/18/374641918.db2.gz NUTHAAQLUPKFSC-GFCCVEGCSA-N 0 3 297.399 2.248 20 30 CEEDHN C=CC[C@H]1[N@H+](CCCOC(=O)N=C(N)[O-])CCCC1(C)C ZINC000277780582 374641924 /nfs/dbraw/zinc/64/19/24/374641924.db2.gz NUTHAAQLUPKFSC-GFCCVEGCSA-N 0 3 297.399 2.248 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCCC2(CCC2)C1 ZINC000375670214 374668816 /nfs/dbraw/zinc/66/88/16/374668816.db2.gz AJBULIGOODJNIN-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000278407894 374806369 /nfs/dbraw/zinc/80/63/69/374806369.db2.gz HBRASOSAAKGYBU-ZOBUZTSGSA-N 0 3 284.403 2.311 20 30 CEEDHN C=CCC[C@H](O)CN1CCC(Oc2ncccc2F)CC1 ZINC000278328658 374782172 /nfs/dbraw/zinc/78/21/72/374782172.db2.gz OBALXGGOIMSFBH-ZDUSSCGKSA-N 0 3 294.370 2.391 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000280488309 375218023 /nfs/dbraw/zinc/21/80/23/375218023.db2.gz BHSWWLAEPUQELP-RYUDHWBXSA-N 0 3 289.379 2.310 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000280648908 375273163 /nfs/dbraw/zinc/27/31/63/375273163.db2.gz NZQFORZNYDZFEP-ZBEGNZNMSA-N 0 3 291.347 2.192 20 30 CEEDHN C=CC[C@@H](CC)NCc1cn(C)nc1C(=O)OCC ZINC000281164791 375361390 /nfs/dbraw/zinc/36/13/90/375361390.db2.gz GLAHTVYKURUVJN-GFCCVEGCSA-N 0 3 265.357 2.041 20 30 CEEDHN CC(C)OCC(C)(C)NCc1cnc2ccc(C#N)cn12 ZINC000414556877 375855279 /nfs/dbraw/zinc/85/52/79/375855279.db2.gz WFCJUXOJMTZIBT-UHFFFAOYSA-N 0 3 286.379 2.499 20 30 CEEDHN CN(Cc1ccccc1)C1CN(c2ccnc(C#N)c2)C1 ZINC000286190173 375867310 /nfs/dbraw/zinc/86/73/10/375867310.db2.gz BAIFOZVSPHAHBV-UHFFFAOYSA-N 0 3 278.359 2.274 20 30 CEEDHN CCOC1CC(N(C)C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000286979408 376120232 /nfs/dbraw/zinc/12/02/32/376120232.db2.gz OQCLRZCWLGGGFN-GPANFISMSA-N 0 3 274.364 2.091 20 30 CEEDHN C[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)[C@@H](C)[C@H]1C ZINC000419388622 376450046 /nfs/dbraw/zinc/45/00/46/376450046.db2.gz GRERLDMRPROXQZ-RDBSUJKOSA-N 0 3 277.412 2.305 20 30 CEEDHN C#CCCOc1ccc(CN(C)CCOCCOC)cc1 ZINC000289994406 376594466 /nfs/dbraw/zinc/59/44/66/376594466.db2.gz CMQDCZNJBIBACC-UHFFFAOYSA-N 0 3 291.391 2.184 20 30 CEEDHN C=CCN1CCC(NC(=O)CSC(F)(F)F)CC1 ZINC000264346713 190104631 /nfs/dbraw/zinc/10/46/31/190104631.db2.gz ARYQVDFUWUHYNP-UHFFFAOYSA-N 0 3 282.331 2.006 20 30 CEEDHN C[C@H]1CN(c2cc(Br)c(C#N)cc2F)CCN1 ZINC000310153034 376615634 /nfs/dbraw/zinc/61/56/34/376615634.db2.gz NOQCFZHSBRCXBA-QMMMGPOBSA-N 0 3 298.159 2.258 20 30 CEEDHN C[C@H]1C[C@@H]1N1CCN(c2ccncc2C#N)C[C@@H](C)C1 ZINC000559019042 376658824 /nfs/dbraw/zinc/65/88/24/376658824.db2.gz HRJWVWQSEITRCB-WWGRRREGSA-N 0 3 270.380 2.120 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CC(=O)NCc1ccc(C#N)cc1 ZINC000264548045 190117538 /nfs/dbraw/zinc/11/75/38/190117538.db2.gz KIFDZEMPWDGJDZ-OKILXGFUSA-N 0 3 285.391 2.437 20 30 CEEDHN N#Cc1cccc(OCCN2CCC[C@]23CCOC3)c1 ZINC000312422938 376713465 /nfs/dbraw/zinc/71/34/65/376713465.db2.gz ABLWNACQVVGYQL-MRXNPFEDSA-N 0 3 272.348 2.192 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)CCN1C ZINC000313917627 376758856 /nfs/dbraw/zinc/75/88/56/376758856.db2.gz AGKNGLBMDAIKLQ-KOLCDFICSA-N 0 3 293.317 2.049 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)c1c(F)cc(C#N)cc1F ZINC000314064379 376761751 /nfs/dbraw/zinc/76/17/51/376761751.db2.gz YUGLLMIYNBBBHD-LLVKDONJSA-N 0 3 293.317 2.003 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)[C@H]1CCCN1C ZINC000264616605 190122812 /nfs/dbraw/zinc/12/28/12/190122812.db2.gz JQWYSGLIVONCKK-OAHLLOKOSA-N 0 3 258.365 2.295 20 30 CEEDHN Cc1n[nH]c([C@H]2CCN(Cc3cc(C#N)ccc3F)C2)n1 ZINC000560718137 376778419 /nfs/dbraw/zinc/77/84/19/376778419.db2.gz NGWGKSNABUYOMS-LBPRGKRZSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1nc([C@H]2CCN(Cc3cc(C#N)ccc3F)C2)n[nH]1 ZINC000560718137 376778431 /nfs/dbraw/zinc/77/84/31/376778431.db2.gz NGWGKSNABUYOMS-LBPRGKRZSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1nnc([C@H]2CCN(Cc3cc(C#N)ccc3F)C2)[nH]1 ZINC000560718137 376778439 /nfs/dbraw/zinc/77/84/39/376778439.db2.gz NGWGKSNABUYOMS-LBPRGKRZSA-N 0 3 285.326 2.113 20 30 CEEDHN C=CCCC(CO)NC(=O)NCC1CC2C=CC1CC2 ZINC000422219370 376851381 /nfs/dbraw/zinc/85/13/81/376851381.db2.gz OBMFNBFRUVXTFD-AJNGGQMLSA-N 0 3 278.396 2.215 20 30 CEEDHN CCN1CCC[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC000328674069 376877180 /nfs/dbraw/zinc/87/71/80/376877180.db2.gz PRNZFWRRNRDVBH-FZMZJTMJSA-N 0 3 267.373 2.184 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N[C@H](C)C2)CN1C1CC1 ZINC000329346215 376951582 /nfs/dbraw/zinc/95/15/82/376951582.db2.gz RGDIKJBEFKSJRA-NOOOWODRSA-N 0 3 279.384 2.323 20 30 CEEDHN C#CCN(C)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000290981834 377014017 /nfs/dbraw/zinc/01/40/17/377014017.db2.gz JZDVBHQEXSAYDB-CQSZACIVSA-N 0 3 287.407 2.390 20 30 CEEDHN C[C@]1(CO)CCC[C@H]1NCc1cccc(C#N)c1F ZINC000331169295 377311200 /nfs/dbraw/zinc/31/12/00/377311200.db2.gz NTKKZCWBCKDGJR-UKRRQHHQSA-N 0 3 262.328 2.338 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC000424656093 377280372 /nfs/dbraw/zinc/28/03/72/377280372.db2.gz XMVMGCJLEBSBCQ-OLZOCXBDSA-N 0 3 268.376 2.281 20 30 CEEDHN C=CCC1(C(=O)N(CCC)CCN(C)C)CCOCC1 ZINC000424684436 377284578 /nfs/dbraw/zinc/28/45/78/377284578.db2.gz NSABGIBLANWRGA-UHFFFAOYSA-N 0 3 282.428 2.160 20 30 CEEDHN N#CCC1(CNC[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000564864327 377483417 /nfs/dbraw/zinc/48/34/17/377483417.db2.gz NJRDZQRPOBYQFQ-CQSZACIVSA-N 0 3 262.328 2.013 20 30 CEEDHN C=CCOc1ccc(CN2C[C@@H](O)C3(CC3)C2)cc1 ZINC000428382948 377490394 /nfs/dbraw/zinc/49/03/94/377490394.db2.gz TXVRIWSEWXHVPW-OAHLLOKOSA-N 0 3 259.349 2.208 20 30 CEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)N1CCCCCC1 ZINC000429732076 377519571 /nfs/dbraw/zinc/51/95/71/377519571.db2.gz VAYQWJBVDFJZHS-INIZCTEOSA-N 0 3 295.471 2.217 20 30 CEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)NC1CCCCC1 ZINC000429717108 377520623 /nfs/dbraw/zinc/52/06/23/377520623.db2.gz PXIQSLYKSURIIK-OAHLLOKOSA-N 0 3 295.471 2.264 20 30 CEEDHN N#Cc1cnn2cc(CNC3CC(C(F)(F)F)C3)cnc12 ZINC000564987602 377522233 /nfs/dbraw/zinc/52/22/33/377522233.db2.gz ZKVNNZLJTURDNY-UHFFFAOYSA-N 0 3 295.268 2.031 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)NCc1ccc(CC#N)cc1 ZINC000565024869 377534002 /nfs/dbraw/zinc/53/40/02/377534002.db2.gz VBYCQOHABCGTIP-MRXNPFEDSA-N 0 3 285.391 2.243 20 30 CEEDHN C[C@@H]1[C@@H](C)CN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000293409163 377555062 /nfs/dbraw/zinc/55/50/62/377555062.db2.gz MGQYATUFZRHVRF-NWDGAFQWSA-N 0 3 257.337 2.227 20 30 CEEDHN CC(C)(C)OC(=O)NCCNCc1cc(C#N)cs1 ZINC000083454496 249300700 /nfs/dbraw/zinc/30/07/00/249300700.db2.gz XJICNQPTCOIWNA-UHFFFAOYSA-N 0 3 281.381 2.234 20 30 CEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)/C=C/CN(C)C ZINC000265688826 190200204 /nfs/dbraw/zinc/20/02/04/190200204.db2.gz YAHORMITVHPDIL-AATRIKPKSA-N 0 3 285.391 2.413 20 30 CEEDHN C#Cc1cccc(N(CC)C(=O)/C=C/CN(C)C)c1 ZINC000265696731 190200990 /nfs/dbraw/zinc/20/09/90/190200990.db2.gz PBWZXFZZQIKWJU-DHZHZOJOSA-N 0 3 256.349 2.139 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](C2CC2)C1 ZINC000332782745 377699966 /nfs/dbraw/zinc/69/99/66/377699966.db2.gz ZRAKCCZIUMWETH-ZFWWWQNUSA-N 0 3 289.423 2.449 20 30 CEEDHN Cc1nccc(CNC(=O)C(C#N)CCc2ccccc2)n1 ZINC000433313381 377786525 /nfs/dbraw/zinc/78/65/25/377786525.db2.gz PUOHWBUFCXOVHO-HNNXBMFYSA-N 0 3 294.358 2.174 20 30 CEEDHN C[C@H](O)C[C@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433478954 377791342 /nfs/dbraw/zinc/79/13/42/377791342.db2.gz UMRRIPIZJXFPTC-OFQRWUPVSA-N 0 3 288.391 2.282 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433945461 377794048 /nfs/dbraw/zinc/79/40/48/377794048.db2.gz HFUAWWKBOKJJHN-AWEZNQCLSA-N 0 3 265.401 2.221 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000437513670 377846960 /nfs/dbraw/zinc/84/69/60/377846960.db2.gz HPSWZLIYXLYPCL-JKJDWNRSSA-N 0 3 294.439 2.345 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2cccc(-n3cncn3)c2)C1 ZINC000442800171 377998862 /nfs/dbraw/zinc/99/88/62/377998862.db2.gz YZSOYJLHEBUZJN-OCCSQVGLSA-N 0 3 267.336 2.049 20 30 CEEDHN COC(=O)[C@](C)(CN[C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000443067450 378032868 /nfs/dbraw/zinc/03/28/68/378032868.db2.gz LNNSQKBYAASDMJ-UKPHBRMFSA-N 0 3 286.375 2.399 20 30 CEEDHN C[C@@H](N[C@@H]1CCOC1(C)C)C(=O)Nc1ccccc1C#N ZINC000295234018 378063104 /nfs/dbraw/zinc/06/31/04/378063104.db2.gz OPRAFXNYVFKGMA-BXUZGUMPSA-N 0 3 287.363 2.042 20 30 CEEDHN C=C(CC)CNCc1c(C)nn(CC(=O)OCC)c1C ZINC000449732277 378224626 /nfs/dbraw/zinc/22/46/26/378224626.db2.gz AXSSFRBAZAYKRU-UHFFFAOYSA-N 0 3 279.384 2.119 20 30 CEEDHN C=CCC[C@H](C)[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC000449713031 378223284 /nfs/dbraw/zinc/22/32/84/378223284.db2.gz VOQZAYIYISINRT-NSHDSACASA-N 0 3 257.341 2.311 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc2c1OCO2 ZINC000449546286 378216223 /nfs/dbraw/zinc/21/62/23/378216223.db2.gz BJDXDXSLQBFLHO-OLZOCXBDSA-N 0 3 261.321 2.239 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(N(C)CC)nc1 ZINC000449548871 378216337 /nfs/dbraw/zinc/21/63/37/378216337.db2.gz RLYSRDYSKJACMP-CABCVRRESA-N 0 3 275.396 2.361 20 30 CEEDHN C#Cc1ccc(CNC(=O)C2CCN(C3CC3)CC2)cc1 ZINC000295573539 378219457 /nfs/dbraw/zinc/21/94/57/378219457.db2.gz VGUTYZHIIYVHJT-UHFFFAOYSA-N 0 3 282.387 2.159 20 30 CEEDHN C=CCCCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000448012350 378167557 /nfs/dbraw/zinc/16/75/57/378167557.db2.gz SWCVYLXDZVSQLW-AWEZNQCLSA-N 0 3 265.401 2.269 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cn2cc(C)ccc2n1 ZINC000449695478 378221646 /nfs/dbraw/zinc/22/16/46/378221646.db2.gz FDRGISIKGVNQIN-ZDUSSCGKSA-N 0 3 259.353 2.059 20 30 CEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)NCCCN1CCc2ccccc2C1 ZINC000448674256 378179403 /nfs/dbraw/zinc/17/94/03/378179403.db2.gz FJCAMUUJZVBFCD-KDOFPFPSSA-N 0 3 297.402 2.101 20 30 CEEDHN C[C@@H](NCC#Cc1cccc(Cl)c1)[C@H](C)CO ZINC000295643088 378248252 /nfs/dbraw/zinc/24/82/52/378248252.db2.gz CHLGLCHGMGFFGS-VXGBXAGGSA-N 0 3 251.757 2.298 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000450109966 378296749 /nfs/dbraw/zinc/29/67/49/378296749.db2.gz CFLADNLZHXYMFB-OAHLLOKOSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](SC)C1 ZINC000296236682 378462435 /nfs/dbraw/zinc/46/24/35/378462435.db2.gz KWOPRCGCLXLDIF-OLZOCXBDSA-N 0 3 268.426 2.013 20 30 CEEDHN CC[C@@H](C)N1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC000296116202 378422185 /nfs/dbraw/zinc/42/21/85/378422185.db2.gz VPXSHBSQGMXDDL-GFCCVEGCSA-N 0 3 258.369 2.182 20 30 CEEDHN N#Cc1ccnc(N[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000296521292 378561156 /nfs/dbraw/zinc/56/11/56/378561156.db2.gz MTEXBLUQWDTNDR-OAHLLOKOSA-N 0 3 279.347 2.035 20 30 CEEDHN C[C@H](NCCCn1ccnn1)c1ccc(C#N)cc1F ZINC000346892449 218049859 /nfs/dbraw/zinc/04/98/59/218049859.db2.gz XCPAUSNDJWQYKD-NSHDSACASA-N 0 3 273.315 2.030 20 30 CEEDHN Cc1nnc(N[C@H](C)CN2CCC[C@@H](C)C2)c(C#N)c1C ZINC000299105847 378901793 /nfs/dbraw/zinc/90/17/93/378901793.db2.gz VZLJKHNGIBAZSX-VXGBXAGGSA-N 0 3 287.411 2.497 20 30 CEEDHN C[C@H](NCc1ccc(C#N)c(F)c1)C(C)(C)n1cncn1 ZINC000453366265 378876523 /nfs/dbraw/zinc/87/65/23/378876523.db2.gz DBVRHTFXEGBEGS-NSHDSACASA-N 0 3 287.342 2.202 20 30 CEEDHN CC#CCN1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000497109499 379051451 /nfs/dbraw/zinc/05/14/51/379051451.db2.gz DIPCSLUICLYMSJ-KBPBESRZSA-N 0 3 278.396 2.199 20 30 CEEDHN N#Cc1cc(C(=O)NC2CCN(C3CC3)CC2)ccc1F ZINC000278770412 194147272 /nfs/dbraw/zinc/14/72/72/194147272.db2.gz XAILHCWYXZSTAK-UHFFFAOYSA-N 0 3 287.338 2.054 20 30 CEEDHN N#C[C@H]1CC[C@@H](N2CC[C@@H](Oc3ccncc3)C2)C1 ZINC000516494322 379287323 /nfs/dbraw/zinc/28/73/23/379287323.db2.gz HCTJFPMGBPHNEE-GZBFAFLISA-N 0 3 257.337 2.227 20 30 CEEDHN CN1CCN(Cc2cn3ccccc3c2C#N)C(C)(C)C1 ZINC000347577165 218280540 /nfs/dbraw/zinc/28/05/40/218280540.db2.gz AAWTYCZSXKWNIF-UHFFFAOYSA-N 0 3 282.391 2.337 20 30 CEEDHN C=C[C@@](C)(O)CC(=O)Nc1cnccc1NC(CC)CC ZINC000520608347 379492135 /nfs/dbraw/zinc/49/21/35/379492135.db2.gz XIRPVGXANFJFOR-MRXNPFEDSA-N 0 3 291.395 2.370 20 30 CEEDHN C#CCN(CC)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000266904388 190289267 /nfs/dbraw/zinc/28/92/67/190289267.db2.gz HJLZLJBIHIHSTP-UHFFFAOYSA-N 0 3 285.343 2.435 20 30 CEEDHN CC(C)OCCN1CCC(Nc2ccc(C#N)cn2)CC1 ZINC000267047267 190299185 /nfs/dbraw/zinc/29/91/85/190299185.db2.gz NCGOZESSFISMKK-UHFFFAOYSA-N 0 3 288.395 2.255 20 30 CEEDHN CN(CCNCc1ccc(C#N)s1)CC(F)(F)F ZINC000267175713 190309104 /nfs/dbraw/zinc/30/91/04/190309104.db2.gz JDCXPCSGOFNHMM-UHFFFAOYSA-N 0 3 277.315 2.203 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC(C2CC2)C2CC2)CC1 ZINC000525252527 379655145 /nfs/dbraw/zinc/65/51/45/379655145.db2.gz FGXYGRKDHZVAEZ-UHFFFAOYSA-N 0 3 291.439 2.372 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)cc2OC)[C@H](C)C1 ZINC000347708877 218329369 /nfs/dbraw/zinc/32/93/69/218329369.db2.gz SLSIWIWOGRVRHD-ZIAGYGMSSA-N 0 3 287.407 2.481 20 30 CEEDHN CCN1C[C@H](C)N(CCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000347711188 218330924 /nfs/dbraw/zinc/33/09/24/218330924.db2.gz YTALFEBBMFULLB-GJZGRUSLSA-N 0 3 287.407 2.352 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000486164046 380081455 /nfs/dbraw/zinc/08/14/55/380081455.db2.gz JBWPJQRYHCHIKW-UBHSHLNASA-N 0 3 258.321 2.040 20 30 CEEDHN C=CCOc1ccccc1CNCC1(C(=O)OC)CC1 ZINC000486922100 380082586 /nfs/dbraw/zinc/08/25/86/380082586.db2.gz DJLOBONMVVZPSW-UHFFFAOYSA-N 0 3 275.348 2.294 20 30 CEEDHN CC(C)(C)N1CCCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000530670725 380203520 /nfs/dbraw/zinc/20/35/20/380203520.db2.gz GHTDVYINCSCGCD-UHFFFAOYSA-N 0 3 299.418 2.434 20 30 CEEDHN CCC(C#N)(CC)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000528995149 380156769 /nfs/dbraw/zinc/15/67/69/380156769.db2.gz GZPSUQSNJMILQO-LBPRGKRZSA-N 0 3 263.385 2.083 20 30 CEEDHN C[C@@H](C(=O)N1CCC(CC#N)CC1)N1[C@H](C)CC[C@H]1C ZINC000541048455 380267141 /nfs/dbraw/zinc/26/71/41/380267141.db2.gz XYCMGXYYWMDDGK-MCIONIFRSA-N 0 3 277.412 2.400 20 30 CEEDHN CC1CC(C#N)(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000536020582 380221862 /nfs/dbraw/zinc/22/18/62/380221862.db2.gz JMLDDYGJUMZACK-HQVVEAJESA-N 0 3 299.418 2.215 20 30 CEEDHN Cc1nnc(CCNCc2ccc(C#N)s2)s1 ZINC000289439682 197347818 /nfs/dbraw/zinc/34/78/18/197347818.db2.gz AMIVJWHOLLPSCD-UHFFFAOYSA-N 0 3 264.379 2.112 20 30 CEEDHN CC1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000334373009 380320453 /nfs/dbraw/zinc/32/04/53/380320453.db2.gz SFXRQGGQKWRYRP-UHFFFAOYSA-N 0 3 266.348 2.410 20 30 CEEDHN Cn1c(C(=O)C(C#N)c2ccncn2)cc2ccccc21 ZINC000544814637 380365772 /nfs/dbraw/zinc/36/57/72/380365772.db2.gz FGEVZQVCCFXCJF-LBPRGKRZSA-N 0 3 276.299 2.458 20 30 CEEDHN CCc1nncn1CCN[C@H](C)c1ccc(C#N)cc1 ZINC000545265156 380375986 /nfs/dbraw/zinc/37/59/86/380375986.db2.gz JHTSVTYBFSGQJA-GFCCVEGCSA-N 0 3 269.352 2.063 20 30 CEEDHN N#Cc1cscc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000334392818 380347908 /nfs/dbraw/zinc/34/79/08/380347908.db2.gz YNNPCZFAQQPBJY-ZDUSSCGKSA-N 0 3 289.404 2.320 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(C#N)s2)C1 ZINC000334743948 207002572 /nfs/dbraw/zinc/00/25/72/207002572.db2.gz HEMSJZBKCFULKA-LLVKDONJSA-N 0 3 277.393 2.174 20 30 CEEDHN C[C@H]1CCC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000279347357 194393924 /nfs/dbraw/zinc/39/39/24/194393924.db2.gz VHBSVWWJHPMLLM-ONGXEEELSA-N 0 3 263.366 2.336 20 30 CEEDHN C#CCCN1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000493996428 381151131 /nfs/dbraw/zinc/15/11/31/381151131.db2.gz ZXPVTFXWLDYJDV-ZDUSSCGKSA-N 0 3 266.385 2.389 20 30 CEEDHN CC(C#N)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000494522561 381159349 /nfs/dbraw/zinc/15/93/49/381159349.db2.gz KTFIPTUZFFQPKV-IJLUTSLNSA-N 0 3 295.383 2.002 20 30 CEEDHN CC#CCN1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494957995 381164545 /nfs/dbraw/zinc/16/45/45/381164545.db2.gz WPGCNXUPVWEGRV-OLZOCXBDSA-N 0 3 266.385 2.245 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000494879957 381164605 /nfs/dbraw/zinc/16/46/05/381164605.db2.gz RFNUMSCYJWOZAG-QWHCGFSZSA-N 0 3 265.401 2.219 20 30 CEEDHN CC(C#N)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC000495418561 381173219 /nfs/dbraw/zinc/17/32/19/381173219.db2.gz MSQLITVAJZNBDP-WDEREUQCSA-N 0 3 297.399 2.202 20 30 CEEDHN C=CCC[C@H](O)CN1CCCC[C@@H]1COC(=O)N(C)CC ZINC000495643414 381178909 /nfs/dbraw/zinc/17/89/09/381178909.db2.gz ZSUGVBBXUQWONW-CABCVRRESA-N 0 3 298.427 2.256 20 30 CEEDHN C=CCC[C@H](O)CN1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000495891302 381190721 /nfs/dbraw/zinc/19/07/21/381190721.db2.gz KEEVPGVTNMVKIQ-CABCVRRESA-N 0 3 296.411 2.057 20 30 CEEDHN CC#CCCN1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496025525 381194634 /nfs/dbraw/zinc/19/46/34/381194634.db2.gz CEQWBUMVZAWCJI-CQSZACIVSA-N 0 3 296.411 2.015 20 30 CEEDHN CC(C#N)C(=O)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000496122859 381199416 /nfs/dbraw/zinc/19/94/16/381199416.db2.gz UCKFYPWFGXDERV-LLVKDONJSA-N 0 3 295.383 2.004 20 30 CEEDHN CC(C)(C)OC(=O)N1CC[C@H]2CN(CCCC#N)C[C@@H]2C1 ZINC000496962715 381235521 /nfs/dbraw/zinc/23/55/21/381235521.db2.gz ZUYHIADOPGJCAS-UONOGXRCSA-N 0 3 293.411 2.479 20 30 CEEDHN C=CCOCCNCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000380450405 542337794 /nfs/dbraw/zinc/33/77/94/542337794.db2.gz PPGMSKFVLBLJCZ-LBPRGKRZSA-N 0 3 277.364 2.311 20 30 CEEDHN C=CCCCCN1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000574841551 335051820 /nfs/dbraw/zinc/05/18/20/335051820.db2.gz BNPACYJMMNBHPS-HNNXBMFYSA-N 0 3 279.428 2.421 20 30 CEEDHN CC(C#N)C(=O)NCc1c(F)cc(F)c(F)c1F ZINC000336153487 533113521 /nfs/dbraw/zinc/11/35/21/533113521.db2.gz APQFBWWUFLUWQA-YFKPBYRVSA-N 0 3 260.190 2.019 20 30 CEEDHN CCC[C@]1(CO)CCN(CCOc2ccc(C#N)cc2)C1 ZINC000288982200 197205597 /nfs/dbraw/zinc/20/55/97/197205597.db2.gz ZKOXIQJWOFXSRA-KRWDZBQOSA-N 0 3 288.391 2.422 20 30 CEEDHN CC(C)(C#N)CCN1CC[C@@H](Oc2ccncc2)C1 ZINC000119973732 262263322 /nfs/dbraw/zinc/26/33/22/262263322.db2.gz OVXGVPVPGOGIPB-CQSZACIVSA-N 0 3 259.353 2.475 20 30 CEEDHN C=CCSCCNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000171282548 335062120 /nfs/dbraw/zinc/06/21/20/335062120.db2.gz HIZPYRMRLSFJCR-XQQFMLRXSA-N 0 3 270.442 2.283 20 30 CEEDHN COc1ccc(C(=O)C(C#N)c2ccncn2)c(C)c1 ZINC000354463460 533354798 /nfs/dbraw/zinc/35/47/98/533354798.db2.gz IARGAODWDGRHLB-CYBMUJFWSA-N 0 3 267.288 2.284 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]nc2C2CC2)CC1 ZINC000190314079 130088389 /nfs/dbraw/zinc/08/83/89/130088389.db2.gz YFTXSEBEFMYBOR-UHFFFAOYSA-N 0 3 288.395 2.057 20 30 CEEDHN C#CCOc1ccc(CN[C@H](C)[C@@H](C)C(=O)OCC)cc1 ZINC000190958015 130165474 /nfs/dbraw/zinc/16/54/74/130165474.db2.gz KUCRFAHFWHRBPK-ZIAGYGMSSA-N 0 3 289.375 2.376 20 30 CEEDHN Cn1cc(CNC[C@](C)(O)c2ccc(F)cc2)cc1C#N ZINC000191493853 130244318 /nfs/dbraw/zinc/24/43/18/130244318.db2.gz XEVBKNILUZTPCG-INIZCTEOSA-N 0 3 287.338 2.033 20 30 CEEDHN C[C@H]1C[C@H]1N1CCN(C(=O)C2(C#N)CC(C)C2)C[C@@H](C)C1 ZINC000575111106 335066548 /nfs/dbraw/zinc/06/65/48/335066548.db2.gz BDXQZZQRYJUFHJ-AUUXXJPVSA-N 0 3 289.423 2.115 20 30 CEEDHN CC[C@@H](CN1CCN(Cc2ccc(C#N)cc2)CC1)OC ZINC000412979720 394449371 /nfs/dbraw/zinc/44/93/71/394449371.db2.gz VJTLFQCZDZXWBL-KRWDZBQOSA-N 0 3 287.407 2.101 20 30 CEEDHN C=CCN1CCC(Nc2ncc(C#N)cc2F)CC1 ZINC000413126084 394488391 /nfs/dbraw/zinc/48/83/91/394488391.db2.gz JNOLZICRDRFOCA-UHFFFAOYSA-N 0 3 260.316 2.155 20 30 CEEDHN CCC[C@@](C)(CO)NCc1ccc(C#N)c(F)c1 ZINC000421364908 394512196 /nfs/dbraw/zinc/51/21/96/394512196.db2.gz PWMHOTBMTQFOFG-AWEZNQCLSA-N 0 3 250.317 2.338 20 30 CEEDHN CC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000329084961 394560551 /nfs/dbraw/zinc/56/05/51/394560551.db2.gz GBAUYAWUQUKIRK-LSDHHAIUSA-N 0 3 295.427 2.217 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000329484003 394566567 /nfs/dbraw/zinc/56/65/67/394566567.db2.gz QGUFESJYXCBSTM-CJNGLKHVSA-N 0 3 297.402 2.454 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2snnc2C2CC2)CCN1C ZINC000329521898 394569834 /nfs/dbraw/zinc/56/98/34/394569834.db2.gz PCXCYTPNELVUSF-SCZZXKLOSA-N 0 3 280.397 2.203 20 30 CEEDHN C=CCCC1(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000356369969 394575994 /nfs/dbraw/zinc/57/59/94/394575994.db2.gz ZBLZKMLTYCRJIH-OLZOCXBDSA-N 0 3 262.397 2.474 20 30 CEEDHN [O-]C(=[NH+][C@H]1CCc2nc[nH]c2C1)N1CCCC2(CC2)C1 ZINC000329629743 394578224 /nfs/dbraw/zinc/57/82/24/394578224.db2.gz VEWVBTRAVXUGCM-NSHDSACASA-N 0 3 274.368 2.057 20 30 CEEDHN [O-]C(=[NH+][C@H]1CCc2[nH]cnc2C1)N1CCCC2(CC2)C1 ZINC000329629743 394578226 /nfs/dbraw/zinc/57/82/26/394578226.db2.gz VEWVBTRAVXUGCM-NSHDSACASA-N 0 3 274.368 2.057 20 30 CEEDHN N#Cc1csc(CNCCCC2(O)CCC2)c1 ZINC000421379966 394518578 /nfs/dbraw/zinc/51/85/78/394518578.db2.gz UXZCFUXBTSRICQ-UHFFFAOYSA-N 0 3 250.367 2.405 20 30 CEEDHN N#Cc1ccc(Cl)cc1N1CCN2CCC[C@H]2C1 ZINC000246894887 394523132 /nfs/dbraw/zinc/52/31/32/394523132.db2.gz LQAWVGDNRMOXHY-ZDUSSCGKSA-N 0 3 261.756 2.496 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1cc2ccccc2n1 ZINC000329854800 394590424 /nfs/dbraw/zinc/59/04/24/394590424.db2.gz WTZPNSZZAQXERM-WBMJQRKESA-N 0 3 298.390 2.476 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccc(O)c(OCC)c1 ZINC000320293647 394545648 /nfs/dbraw/zinc/54/56/48/394545648.db2.gz RDVHSKSTLNZDJW-ZDUSSCGKSA-N 0 3 265.353 2.208 20 30 CEEDHN C[C@H]1C[C@@H](Nc2nc3c(cc2C#N)CCC3)CCN1C ZINC000090795381 394655532 /nfs/dbraw/zinc/65/55/32/394655532.db2.gz IVDNLKRFSDCVGE-FZMZJTMJSA-N 0 3 270.380 2.337 20 30 CEEDHN O=C(NC[C@H]1CCCCN1C1CC1)c1csc(=O)[nH]1 ZINC000329954913 394597920 /nfs/dbraw/zinc/59/79/20/394597920.db2.gz KIOVVUUYUGWUHM-SNVBAGLBSA-N 0 3 281.381 2.170 20 30 CEEDHN CCCCNC(=O)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000330449164 394611510 /nfs/dbraw/zinc/61/15/10/394611510.db2.gz ZHMROUHKUHOQDT-UKRRQHHQSA-N 0 3 277.412 2.307 20 30 CEEDHN CCCCN1CCCC[C@H]1CNC(=O)Nc1cc(C)on1 ZINC000330457517 394611531 /nfs/dbraw/zinc/61/15/31/394611531.db2.gz QPFNDVCJGCPINP-ZDUSSCGKSA-N 0 3 294.399 2.385 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)c1c(C)nn(CC)c1C ZINC000330462924 394612555 /nfs/dbraw/zinc/61/25/55/394612555.db2.gz UHNXQIUPBSJTSL-CYBMUJFWSA-N 0 3 278.400 2.309 20 30 CEEDHN C[C@@H]1CCc2nc(NC(=O)NCCN(C)C)sc2C1 ZINC000330460417 394612865 /nfs/dbraw/zinc/61/28/65/394612865.db2.gz VMXZNAGFIJARBR-SECBINFHSA-N 0 3 282.413 2.155 20 30 CEEDHN CC(C)(C#N)CCCN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000330572163 394619650 /nfs/dbraw/zinc/61/96/50/394619650.db2.gz NFSSDXKEZNPDQN-ZNMIVQPWSA-N 0 3 280.412 2.178 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1c(C)noc1C ZINC000330670223 394625150 /nfs/dbraw/zinc/62/51/50/394625150.db2.gz LTCDVCAFOHPHTL-LBPRGKRZSA-N 0 3 265.357 2.470 20 30 CEEDHN CN(C)C/C=C/C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000265701026 394652181 /nfs/dbraw/zinc/65/21/81/394652181.db2.gz QQJXMYHKDNXREM-OOPCZODUSA-N 0 3 277.755 2.139 20 30 CEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(CC#N)cc2)C1 ZINC000270540546 394735822 /nfs/dbraw/zinc/73/58/22/394735822.db2.gz PTIZPIWNLHXVTI-IRXDYDNUSA-N 0 3 297.402 2.309 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000335149461 394743971 /nfs/dbraw/zinc/74/39/71/394743971.db2.gz QTNYTBRCVYPWCW-YPMHNXCESA-N 0 3 275.327 2.070 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000334343984 394676091 /nfs/dbraw/zinc/67/60/91/394676091.db2.gz RWFFSBOIQVTACF-OLZOCXBDSA-N 0 3 286.379 2.085 20 30 CEEDHN COc1cc2c(cc1F)CC[C@H]2NC(=O)C(C)C#N ZINC000334430716 394685039 /nfs/dbraw/zinc/68/50/39/394685039.db2.gz JSMXNJLSLASPKA-QPUJVOFHSA-N 0 3 262.284 2.097 20 30 CEEDHN C[C@@H]1[C@@H](C)N(CC#Cc2ccc(F)cc2)CCN1C ZINC000334450964 394686791 /nfs/dbraw/zinc/68/67/91/394686791.db2.gz UIWREYZTTLNDCL-ZIAGYGMSSA-N 0 3 260.356 2.202 20 30 CEEDHN C#CCCN1CCCN(c2ccccc2C#N)CC1 ZINC000268704276 394697792 /nfs/dbraw/zinc/69/77/92/394697792.db2.gz KZFGFEKIRQQPMF-UHFFFAOYSA-N 0 3 253.349 2.094 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)CN(C)CCC ZINC000359274629 394746425 /nfs/dbraw/zinc/74/64/25/394746425.db2.gz DYQHZLJDRICCPD-UHFFFAOYSA-N 0 3 285.391 2.415 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)C2(C#N)CCCCC2)C1 ZINC000334751061 394708197 /nfs/dbraw/zinc/70/81/97/394708197.db2.gz HEAYAIQWRHRPBN-AWEZNQCLSA-N 0 3 277.412 2.402 20 30 CEEDHN C=C(C)CCNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000334789555 394710923 /nfs/dbraw/zinc/71/09/23/394710923.db2.gz VGHKIKUJQOFHFR-ZIAGYGMSSA-N 0 3 265.401 2.078 20 30 CEEDHN N#Cc1cc(F)c(N2C[C@H]3CCC[C@@H](C2)N3)c(F)c1 ZINC000334992011 394724056 /nfs/dbraw/zinc/72/40/56/394724056.db2.gz HKMFELLRGZRTBO-PHIMTYICSA-N 0 3 263.291 2.167 20 30 CEEDHN C[C@H](CCCCO)NCc1ccc(C#N)cc1F ZINC000272462633 394773637 /nfs/dbraw/zinc/77/36/37/394773637.db2.gz QUNHIHQZITVEJE-LLVKDONJSA-N 0 3 250.317 2.338 20 30 CEEDHN OC[C@@H](NCC#Cc1cccc(Cl)c1)C1CCOCC1 ZINC000359874555 394779125 /nfs/dbraw/zinc/77/91/25/394779125.db2.gz LLBKMBZAUMVWDL-MRXNPFEDSA-N 0 3 293.794 2.069 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CCCC[C@H]1CN(C)C ZINC000120428001 394779520 /nfs/dbraw/zinc/77/95/20/394779520.db2.gz GKRYUYGOIMMBSN-HNNXBMFYSA-N 0 3 285.391 2.423 20 30 CEEDHN CC(C#N)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000335688961 394788666 /nfs/dbraw/zinc/78/86/66/394788666.db2.gz SVYKREANUIBIDB-UKRRQHHQSA-N 0 3 271.364 2.273 20 30 CEEDHN C=C[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000360349631 394798249 /nfs/dbraw/zinc/79/82/49/394798249.db2.gz RASUCHIVQTUCRN-OFQRWUPVSA-N 0 3 287.407 2.381 20 30 CEEDHN CC(C#N)C(=O)N[C@H](CCO)c1ccc(Cl)cc1 ZINC000360480252 394800768 /nfs/dbraw/zinc/80/07/68/394800768.db2.gz VZRRBPYTLIFKQQ-BXKDBHETSA-N 0 3 266.728 2.039 20 30 CEEDHN CC(C)NC(=O)CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360648477 394804467 /nfs/dbraw/zinc/80/44/67/394804467.db2.gz RGBAIIYGWSIFDA-INIZCTEOSA-N 0 3 285.391 2.440 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000336363295 394847697 /nfs/dbraw/zinc/84/76/97/394847697.db2.gz VPOUAWIKZCKDSC-HZMBPMFUSA-N 0 3 264.275 2.382 20 30 CEEDHN C=C[C@H](C)NC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000362378104 394857008 /nfs/dbraw/zinc/85/70/08/394857008.db2.gz BLPLTVAUCYJNKP-XQQFMLRXSA-N 0 3 253.390 2.123 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)NCC(C)C ZINC000285134419 394953509 /nfs/dbraw/zinc/95/35/09/394953509.db2.gz OCVHGACLCBIQFE-NVXWUHKLSA-N 0 3 286.419 2.371 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2C(F)F)CC1 ZINC000338118682 394906048 /nfs/dbraw/zinc/90/60/48/394906048.db2.gz MAYYLPUASBLVLT-VXGBXAGGSA-N 0 3 272.339 2.044 20 30 CEEDHN C#CCCOc1ccc(CNCC2([S@](C)=O)CC2)cc1 ZINC000282361577 394917862 /nfs/dbraw/zinc/91/78/62/394917862.db2.gz NJMLSJBSOXIOKW-FQEVSTJZSA-N 0 3 291.416 2.089 20 30 CEEDHN CC1CCC(N2CCN(CCOCCC#N)CC2)CC1 ZINC000339000268 394935370 /nfs/dbraw/zinc/93/53/70/394935370.db2.gz WUSQSOHNSPWXSS-UHFFFAOYSA-N 0 3 279.428 2.113 20 30 CEEDHN C=CCOCCNC(C)(C)C(=O)NCC1CCCCC1 ZINC000339060197 394939616 /nfs/dbraw/zinc/93/96/16/394939616.db2.gz FWRITRULXAFXNF-UHFFFAOYSA-N 0 3 282.428 2.254 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC000284008866 394940446 /nfs/dbraw/zinc/94/04/46/394940446.db2.gz OAEQSSBKRLJJLD-UHFFFAOYSA-N 0 3 298.390 2.252 20 30 CEEDHN N#CCCOCCN1CC[C@]2(C1)OCc1ccccc12 ZINC000339096109 394942707 /nfs/dbraw/zinc/94/27/07/394942707.db2.gz MXPUZGCOWJBRLL-MRXNPFEDSA-N 0 3 272.348 2.048 20 30 CEEDHN C#CC(C)(C)N(C)CCOc1ccccc1C(=O)OC ZINC000285991593 394996998 /nfs/dbraw/zinc/99/69/98/394996998.db2.gz FVGKEKPZEIBWQF-UHFFFAOYSA-N 0 3 275.348 2.196 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000342967063 395028182 /nfs/dbraw/zinc/02/81/82/395028182.db2.gz TUFLNJABXADEJN-OLZOCXBDSA-N 0 3 265.401 2.267 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000155734535 395029290 /nfs/dbraw/zinc/02/92/90/395029290.db2.gz VCMUBLUEZCCCKY-DLBZAZTESA-N 0 3 288.435 2.417 20 30 CEEDHN N#C[C@H](c1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000154390827 395022302 /nfs/dbraw/zinc/02/23/02/395022302.db2.gz DVHREELYNRVBAP-QGZVFWFLSA-N 0 3 285.391 2.048 20 30 CEEDHN C=CCN(C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000154657459 395023482 /nfs/dbraw/zinc/02/34/82/395023482.db2.gz MJZCRJRKXPDEQA-AWEZNQCLSA-N 0 3 275.396 2.334 20 30 CEEDHN C=C[C@H](CC(=O)NCCN(C)CC)c1ccccc1 ZINC000134642001 394958273 /nfs/dbraw/zinc/95/82/73/394958273.db2.gz IHAPIZNOHFCNSA-CQSZACIVSA-N 0 3 260.381 2.414 20 30 CEEDHN C=CCC[C@@H](NCC1(C(N)=O)CCOCC1)c1ccco1 ZINC000285706004 394962330 /nfs/dbraw/zinc/96/23/30/394962330.db2.gz PIGWZZFTYUKVQD-CYBMUJFWSA-N 0 3 292.379 2.159 20 30 CEEDHN C[C@@H](C#N)CN(C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000339552958 394963674 /nfs/dbraw/zinc/96/36/74/394963674.db2.gz HAOFSIGZQIOUAH-ZDUSSCGKSA-N 0 3 288.395 2.049 20 30 CEEDHN CCN(CC#Cc1cccc(Cl)c1)[C@H](C)CO ZINC000339630476 394965297 /nfs/dbraw/zinc/96/52/97/394965297.db2.gz PZSCHLCWTSPCRM-GFCCVEGCSA-N 0 3 251.757 2.394 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](CC2CC2)C1 ZINC000339683583 394967403 /nfs/dbraw/zinc/96/74/03/394967403.db2.gz NQYRZJZRYSXXOD-HIFRSBDPSA-N 0 3 277.412 2.117 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@H](c3ccnc(N)n3)C2)cc1 ZINC000368038716 394976215 /nfs/dbraw/zinc/97/62/15/394976215.db2.gz CWROIOQGOKZKTM-INIZCTEOSA-N 0 3 292.386 2.250 20 30 CEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(C#N)cc1 ZINC000285875795 394976866 /nfs/dbraw/zinc/97/68/66/394976866.db2.gz QODCBVOEZMSROX-XJKSGUPXSA-N 0 3 283.375 2.257 20 30 CEEDHN C=CCOc1ccccc1C(=O)NCC1(N(C)C)CC1 ZINC000416298649 395049230 /nfs/dbraw/zinc/04/92/30/395049230.db2.gz DJVANHHQCORJIB-UHFFFAOYSA-N 0 3 274.364 2.075 20 30 CEEDHN CCC1(CC)CCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346427501 395099983 /nfs/dbraw/zinc/09/99/83/395099983.db2.gz GPBDDLYGGVUADX-CYBMUJFWSA-N 0 3 277.412 2.449 20 30 CEEDHN Cc1cc(NC[C@H](C)N2CCC[C@@H](C)C2)c(C#N)cn1 ZINC000425202969 395052552 /nfs/dbraw/zinc/05/25/52/395052552.db2.gz DLSBTLHFPDQSLS-OCCSQVGLSA-N 0 3 272.396 2.216 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCC12CCC2 ZINC000373100057 395054254 /nfs/dbraw/zinc/05/42/54/395054254.db2.gz QBUSIZJRRRMCLW-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN C=CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000288330286 395057190 /nfs/dbraw/zinc/05/71/90/395057190.db2.gz ZOXYFZYCDGIJGR-ZBFHGGJFSA-N 0 3 287.407 2.477 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCCN1CCOCC1 ZINC000425534459 395061212 /nfs/dbraw/zinc/06/12/12/395061212.db2.gz MCKLSSIFUDNVBO-HNNXBMFYSA-N 0 3 287.407 2.273 20 30 CEEDHN C[C@@H]1C[C@@]2(CCO1)CN(CCCCC#N)C[C@H](C)O2 ZINC000373968594 395069001 /nfs/dbraw/zinc/06/90/01/395069001.db2.gz LSWDJNDSIAQHEW-ILXRZTDVSA-N 0 3 266.385 2.339 20 30 CEEDHN COCC(C)(C)CN1CCN(c2ccccc2C#N)CC1 ZINC000426063317 395073283 /nfs/dbraw/zinc/07/32/83/395073283.db2.gz OPUKBVTVBIDKPD-UHFFFAOYSA-N 0 3 287.407 2.353 20 30 CEEDHN C#C[C@@H](C)NCc1ccc(OC(F)F)c(OC)c1 ZINC000289392928 395076828 /nfs/dbraw/zinc/07/68/28/395076828.db2.gz NTZMQLQBJFJJPH-SECBINFHSA-N 0 3 255.264 2.408 20 30 CEEDHN CC[C@@H](C(=O)N(CC)C[C@@H](C)C#N)N(CC)CC ZINC000345800816 395078249 /nfs/dbraw/zinc/07/82/49/395078249.db2.gz OZIGVULLGXFUEK-STQMWFEESA-N 0 3 253.390 2.115 20 30 CEEDHN CN(C)CCN(CC1CCCCC1)C(=O)NCCCC#N ZINC000345818939 395078970 /nfs/dbraw/zinc/07/89/70/395078970.db2.gz RGOCVHHRKZFEQS-UHFFFAOYSA-N 0 3 294.443 2.444 20 30 CEEDHN C=CCOc1ccc(CN[C@@H]2CCC[C@@H]2C(=O)NC)cc1 ZINC000345823151 395079109 /nfs/dbraw/zinc/07/91/09/395079109.db2.gz VHNINSAFGHVUME-JKSUJKDBSA-N 0 3 288.391 2.256 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000345861479 395080701 /nfs/dbraw/zinc/08/07/01/395080701.db2.gz UTXOYMPJNFZWGA-RBSFLKMASA-N 0 3 282.428 2.204 20 30 CEEDHN C=C[C@H](CO)NCc1cccc(Br)c1 ZINC000289798987 395088445 /nfs/dbraw/zinc/08/84/45/395088445.db2.gz KSKSKNVTAMDYRA-LLVKDONJSA-N 0 3 256.143 2.086 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc(C)c(Br)c1 ZINC000289852434 395089023 /nfs/dbraw/zinc/08/90/23/395089023.db2.gz NXTDJBWQPIIBCT-NSHDSACASA-N 0 3 270.170 2.394 20 30 CEEDHN C=C[C@H](CO)N[C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000289870763 395089766 /nfs/dbraw/zinc/08/97/66/395089766.db2.gz RLTIOTXQDINQDK-WQVCFCJDSA-N 0 3 289.375 2.305 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000346241093 395091772 /nfs/dbraw/zinc/09/17/72/395091772.db2.gz HSEVUTMADZPUDH-NXEZZACHSA-N 0 3 266.728 2.383 20 30 CEEDHN N#CCCCCN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375464283 395093599 /nfs/dbraw/zinc/09/35/99/395093599.db2.gz CIMOEULMTQACNV-LBPRGKRZSA-N 0 3 260.341 2.430 20 30 CEEDHN C#Cc1ccc(CNCCC(=O)N[C@H](C)CC)cc1 ZINC000290097279 395094319 /nfs/dbraw/zinc/09/43/19/395094319.db2.gz NDRCRTUSHAAHRM-CYBMUJFWSA-N 0 3 258.365 2.062 20 30 CEEDHN CC(C#N)C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000346301357 395094717 /nfs/dbraw/zinc/09/47/17/395094717.db2.gz PRTZYJODDPSHRT-AAEUAGOBSA-N 0 3 250.342 2.096 20 30 CEEDHN CCC(C#N)S(=O)(=O)N(CCC#N)c1ccc(C)cc1 ZINC000416941549 395094858 /nfs/dbraw/zinc/09/48/58/395094858.db2.gz ACXIVVLKLGCRTD-CQSZACIVSA-N 0 3 291.376 2.347 20 30 CEEDHN C=CCCOCCCCC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000346330805 395095448 /nfs/dbraw/zinc/09/54/48/395095448.db2.gz SYECIZCWQHSMDL-KRWDZBQOSA-N 0 3 294.439 2.304 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)c1cccc(CN(C)C)c1 ZINC000155932663 395030781 /nfs/dbraw/zinc/03/07/81/395030781.db2.gz XPTGJYOHJJBUNT-ZDUSSCGKSA-N 0 3 273.380 2.370 20 30 CEEDHN C#CCC(CC#C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000287187800 395035348 /nfs/dbraw/zinc/03/53/48/395035348.db2.gz PLMUJXDOUXGAKV-UHFFFAOYSA-N 0 3 268.360 2.350 20 30 CEEDHN CC#CCN(C)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000416238031 395036060 /nfs/dbraw/zinc/03/60/60/395036060.db2.gz GPSJFZOQVHPPMU-OAHLLOKOSA-N 0 3 258.365 2.161 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)Cc1nc[nH]c1C ZINC000287423573 395041318 /nfs/dbraw/zinc/04/13/18/395041318.db2.gz QIBQQMYQAGUDMT-OAHLLOKOSA-N 0 3 281.359 2.011 20 30 CEEDHN C=C(CNC(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC000287574623 395044069 /nfs/dbraw/zinc/04/40/69/395044069.db2.gz QMZNEAIDRIWGTI-HNNXBMFYSA-N 0 3 273.380 2.093 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCN(C)C[C@@H]1C(C)C ZINC000436489107 395121895 /nfs/dbraw/zinc/12/18/95/395121895.db2.gz XFGVFCBYSDWUOH-MRXNPFEDSA-N 0 3 287.407 2.339 20 30 CEEDHN N#CCSCCCN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000376666278 395127205 /nfs/dbraw/zinc/12/72/05/395127205.db2.gz ZVFSJEQMIXLEQE-LLVKDONJSA-N 0 3 296.358 2.413 20 30 CEEDHN O=C(C#Cc1ccccc1)NC1CC(N2CCCCC2)C1 ZINC000376017304 395106843 /nfs/dbraw/zinc/10/68/43/395106843.db2.gz CHRVRVSNBABLRB-UHFFFAOYSA-N 0 3 282.387 2.171 20 30 CEEDHN CN(CC1CCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348242464 395139576 /nfs/dbraw/zinc/13/95/76/395139576.db2.gz KETJMJNJKAQIQJ-INIZCTEOSA-N 0 3 281.359 2.499 20 30 CEEDHN C#CCCCCN[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000177095890 395146255 /nfs/dbraw/zinc/14/62/55/395146255.db2.gz XDYQILNRWBIEIM-OAHLLOKOSA-N 0 3 258.365 2.209 20 30 CEEDHN C[C@H](N[C@@H](CO)CC(F)F)c1ccc(C#N)cc1 ZINC000429463124 395158742 /nfs/dbraw/zinc/15/87/42/395158742.db2.gz SKQWFGSKSUBXKP-JOYOIKCWSA-N 0 3 254.280 2.225 20 30 CEEDHN COCC(C)(C)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000430131488 395161797 /nfs/dbraw/zinc/16/17/97/395161797.db2.gz YKXPBLKEWAFIPB-UHFFFAOYSA-N 0 3 272.352 2.063 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1nccc(C#N)c1Cl ZINC000429189571 395157351 /nfs/dbraw/zinc/15/73/51/395157351.db2.gz CBTGKBFFHAJTRD-PWSUYJOCSA-N 0 3 278.787 2.383 20 30 CEEDHN C[C@H](Cc1ccccc1)CN1CCN(CC#N)CC1 ZINC000182036122 395231381 /nfs/dbraw/zinc/23/13/81/395231381.db2.gz GBCIBMWZKLLMDL-OAHLLOKOSA-N 0 3 257.381 2.006 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N(CCC)CCN(C)C ZINC000352444633 395253826 /nfs/dbraw/zinc/25/38/26/395253826.db2.gz FKHDOOOZHKQUDA-HNNXBMFYSA-N 0 3 270.417 2.015 20 30 CEEDHN Cc1c(Cl)cnc(N2CC[C@]3(CCN(C)C3)C2)c1C#N ZINC000292295421 395191486 /nfs/dbraw/zinc/19/14/86/395191486.db2.gz NIJYCSMWVHNMFH-HNNXBMFYSA-N 0 3 290.798 2.447 20 30 CEEDHN Cc1cc(C)c(C#N)c(N2CC[C@]3(CCN(C)C3)C2)n1 ZINC000292307546 395191536 /nfs/dbraw/zinc/19/15/36/395191536.db2.gz OAIZOMYIEUIZQT-INIZCTEOSA-N 0 3 270.380 2.102 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCCCO2)cc1 ZINC000527319465 395278222 /nfs/dbraw/zinc/27/82/22/395278222.db2.gz QTJFSNVRPBDWIJ-HNNXBMFYSA-N 0 3 283.331 2.185 20 30 CEEDHN Cc1cc(CN(C)[C@@H](C)CN2CCOCC2)ccc1C#N ZINC000434703664 395324933 /nfs/dbraw/zinc/32/49/33/395324933.db2.gz VADYWVMCGRMLOT-HNNXBMFYSA-N 0 3 287.407 2.019 20 30 CEEDHN COC(=O)C[C@H]1CCCN1Cc1ccc(C#N)cc1C ZINC000186309858 395288364 /nfs/dbraw/zinc/28/83/64/395288364.db2.gz WKRLFGVRIJKYKS-OAHLLOKOSA-N 0 3 272.348 2.394 20 30 CEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC2(CC2)CC1 ZINC000528432564 395289902 /nfs/dbraw/zinc/28/99/02/395289902.db2.gz LWTKGRDPBWHWHU-HNNXBMFYSA-N 0 3 286.375 2.174 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528758225 395294247 /nfs/dbraw/zinc/29/42/47/395294247.db2.gz FJVZSZHFDKTXBA-YWDSYVAPSA-N 0 3 274.364 2.468 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)C2(C#N)CCCC2)C1 ZINC000408279644 395296454 /nfs/dbraw/zinc/29/64/54/395296454.db2.gz KKMOEKPQIQIDKQ-UHFFFAOYSA-N 0 3 277.412 2.309 20 30 CEEDHN COCC[C@H](COC)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000353652460 395304355 /nfs/dbraw/zinc/30/43/55/395304355.db2.gz XBUFMZKTSHODSP-BXUZGUMPSA-N 0 3 280.343 2.399 20 30 CEEDHN C[C@@H](CCC#N)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000411372747 395327313 /nfs/dbraw/zinc/32/73/13/395327313.db2.gz FNRAQBFCBHWILW-NWDGAFQWSA-N 0 3 289.339 2.168 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC(C)(C)CCC#N ZINC000354177636 395319504 /nfs/dbraw/zinc/31/95/04/395319504.db2.gz HVCBOSFOWOOOSP-OCCSQVGLSA-N 0 3 292.427 2.098 20 30 CEEDHN N#Cc1cc(N2CCCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000183993186 395268094 /nfs/dbraw/zinc/26/80/94/395268094.db2.gz BAYJJRNKIRIHPA-UHFFFAOYSA-N 0 3 286.335 2.141 20 30 CEEDHN COCCOC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC000192045757 395371375 /nfs/dbraw/zinc/37/13/75/395371375.db2.gz BCXFFMYUKFZCKT-KRWDZBQOSA-N 0 3 273.376 2.023 20 30 CEEDHN COc1cc(CN2CCN(C)[C@H](C(C)C)C2)ccc1C#N ZINC000443064344 395399544 /nfs/dbraw/zinc/39/95/44/395399544.db2.gz ONKNJORBLRCQIP-INIZCTEOSA-N 0 3 287.407 2.339 20 30 CEEDHN CC(=O)Nc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442714387 395391833 /nfs/dbraw/zinc/39/18/33/395391833.db2.gz LGQSNDQWAHQZNL-JSGCOSHPSA-N 0 3 257.337 2.427 20 30 CEEDHN COc1cc(CN2C[C@@H](C)N(C)C[C@H]2C)ccc1C#N ZINC000442843383 395396289 /nfs/dbraw/zinc/39/62/89/395396289.db2.gz SLBSSKYSSHFTNF-CHWSQXEVSA-N 0 3 273.380 2.091 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1csc(C(=O)OC)c1 ZINC000411653702 395335585 /nfs/dbraw/zinc/33/55/85/395335585.db2.gz ZIEOIHUFQBDJCK-UHFFFAOYSA-N 0 3 296.436 2.474 20 30 CEEDHN C[C@@H]1CCN(CCNC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000533268116 395461633 /nfs/dbraw/zinc/46/16/33/395461633.db2.gz WICLEEIFUIUJRP-CQSZACIVSA-N 0 3 297.402 2.048 20 30 CEEDHN CC(C)N(CC(=O)N[C@@](C)(C#N)C1CC1)CC1CCC1 ZINC000193201876 395404812 /nfs/dbraw/zinc/40/48/12/395404812.db2.gz VKNFYAMDQHLNPS-INIZCTEOSA-N 0 3 277.412 2.305 20 30 CEEDHN C=CCCC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000355335122 395413528 /nfs/dbraw/zinc/41/35/28/395413528.db2.gz JERNMBDPTFVRSA-HNNXBMFYSA-N 0 3 274.364 2.158 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000448705026 395532675 /nfs/dbraw/zinc/53/26/75/395532675.db2.gz RGJIEJGZZKMWCK-VXGBXAGGSA-N 0 3 288.395 2.045 20 30 CEEDHN CC(C)c1ccc(CCNC(=O)[C@H](N)CCCC#N)cc1 ZINC000567658946 395534977 /nfs/dbraw/zinc/53/49/77/395534977.db2.gz XDDPUAJWFCLUFY-MRXNPFEDSA-N 0 3 287.407 2.490 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1c(C)nc2sc(C)nn12 ZINC000573413826 395608137 /nfs/dbraw/zinc/60/81/37/395608137.db2.gz HJLGGMJKDBQHRR-YPMHNXCESA-N 0 3 292.408 2.231 20 30 CEEDHN CC(C)[C@H](CO)[C@@H](NCc1nc(C#N)cs1)C(C)C ZINC000449512732 395552093 /nfs/dbraw/zinc/55/20/93/395552093.db2.gz QBQBGLVQMKYGMV-JSGCOSHPSA-N 0 3 281.425 2.393 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)o1 ZINC000449551555 395554211 /nfs/dbraw/zinc/55/42/11/395554211.db2.gz GWCOJTIHJRJFFG-UPJWGTAASA-N 0 3 260.337 2.134 20 30 CEEDHN C[C@@H](CNc1nccc(C#N)n1)N1CCCC[C@H]1C ZINC000450258966 395570154 /nfs/dbraw/zinc/57/01/54/395570154.db2.gz UJDVHAIWUNJHQF-NEPJUHHUSA-N 0 3 259.357 2.023 20 30 CEEDHN N#CC1(CCN2CC[C@H](c3nnc[nH]3)C2)CCCCC1 ZINC000568874923 395571157 /nfs/dbraw/zinc/57/11/57/395571157.db2.gz MBXJQJGNYKJRRL-ZDUSSCGKSA-N 0 3 273.384 2.458 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1Cc2cncnc2C1 ZINC000570107232 395581465 /nfs/dbraw/zinc/58/14/65/395581465.db2.gz PBUFHZAUGBBZJD-CQSZACIVSA-N 0 3 292.342 2.091 20 30 CEEDHN CC#CCCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000571767076 395584708 /nfs/dbraw/zinc/58/47/08/395584708.db2.gz SWUUOEYQHKMMRM-SFHVURJKSA-N 0 3 299.418 2.364 20 30 CEEDHN N#CCC[C@@H](C#N)CN[C@H]1CCN(Cc2ccccc2)C1 ZINC000574104537 395626663 /nfs/dbraw/zinc/62/66/63/395626663.db2.gz KNMZMDSFUHPWAM-IRXDYDNUSA-N 0 3 282.391 2.294 20 30 CEEDHN CC/C=C\CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000452606959 395626781 /nfs/dbraw/zinc/62/67/81/395626781.db2.gz SGDFMQSLRBCTFF-JZIMQPMSSA-N 0 3 267.332 2.323 20 30 CEEDHN CC(C)[C@H]1CN(Cc2ccccc2C#N)CCN1C ZINC000487942677 395667649 /nfs/dbraw/zinc/66/76/49/395667649.db2.gz FTAALDWKALFIGI-MRXNPFEDSA-N 0 3 257.381 2.330 20 30 CEEDHN Cc1cc(CN2CCN(C)[C@@H](C)[C@@H]2C)ccc1C#N ZINC000488157933 395668064 /nfs/dbraw/zinc/66/80/64/395668064.db2.gz FHWXPJVUOLCPAM-KBPBESRZSA-N 0 3 257.381 2.391 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C\c1c(F)cccc1F ZINC000491392124 395669242 /nfs/dbraw/zinc/66/92/42/395669242.db2.gz AAXMTKYIYFUSCB-HJWRWDBZSA-N 0 3 292.329 2.049 20 30 CEEDHN C#CCN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000491438989 395669547 /nfs/dbraw/zinc/66/95/47/395669547.db2.gz HJSDVUFOPZKDKN-GOEBONIOSA-N 0 3 287.407 2.261 20 30 CEEDHN C#CCN(C)CCCNC(=S)Nc1ccc(CC)cc1 ZINC000491670121 395670347 /nfs/dbraw/zinc/67/03/47/395670347.db2.gz QJDYBYZDYRLFPG-UHFFFAOYSA-N 0 3 289.448 2.491 20 30 CEEDHN CCN1CCCN(C(=O)/C=C\c2ccc(C#N)cc2)CC1 ZINC000491737604 395670580 /nfs/dbraw/zinc/67/05/80/395670580.db2.gz JIYYNZIXRHUDHD-HJWRWDBZSA-N 0 3 283.375 2.126 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)/C=C\c2cccc(C#N)c2)CCN1C ZINC000493770403 395673954 /nfs/dbraw/zinc/67/39/54/395673954.db2.gz JKRKRMRCESUEEH-ZPUOCTKUSA-N 0 3 297.402 2.370 20 30 CEEDHN C=CC[C@H](CO)CN[C@H](C)c1cc2n(n1)CCCC2 ZINC000647295238 395699193 /nfs/dbraw/zinc/69/91/93/395699193.db2.gz DFOFBZDGAAXICP-OLZOCXBDSA-N 0 3 263.385 2.055 20 30 CEEDHN C=C(C)[C@@H](CO)N(CC)Cc1ccc(OC)c(OC)c1 ZINC000649228556 396095824 /nfs/dbraw/zinc/09/58/24/396095824.db2.gz BTTMQFBGEBWDIB-CQSZACIVSA-N 0 3 279.380 2.463 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@H](c2ccccc2OC)C1 ZINC000649319494 396120302 /nfs/dbraw/zinc/12/03/02/396120302.db2.gz LGKNZJHSEJPXSB-ZFWWWQNUSA-N 0 3 261.365 2.422 20 30 CEEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCCN1C ZINC000649610240 396208291 /nfs/dbraw/zinc/20/82/91/396208291.db2.gz LOAMYAAJQAKYCX-CQSZACIVSA-N 0 3 278.396 2.244 20 30 CEEDHN O=C(CNCC1CC1)Nc1ncc(Br)s1 ZINC000037478460 400116208 /nfs/dbraw/zinc/11/62/08/400116208.db2.gz UJEJMBAWRCTEDT-UHFFFAOYSA-N 0 3 290.186 2.493 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000359911670 155164536 /nfs/dbraw/zinc/16/45/36/155164536.db2.gz MCYZJVXWWVDFIB-BBRMVZONSA-N 0 3 285.391 2.262 20 30 CEEDHN C[C@H](C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1cccc(C#N)c1 ZINC000360768746 155366249 /nfs/dbraw/zinc/36/62/49/155366249.db2.gz OFXRXVWSKBRBPZ-QRTARXTBSA-N 0 3 297.402 2.214 20 30 CEEDHN COc1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)cc1C#N ZINC000230316402 153390690 /nfs/dbraw/zinc/39/06/90/153390690.db2.gz GZLVZBZCEVCTHI-GDBMZVCRSA-N 0 3 272.348 2.224 20 30 CEEDHN COCCNc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000359748515 155125451 /nfs/dbraw/zinc/12/54/51/155125451.db2.gz RDAKXDMBAVSKTL-UHFFFAOYSA-N 0 3 298.390 2.245 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN2C[C@H]3CCCC[C@H]32)cc1 ZINC000368002362 156269721 /nfs/dbraw/zinc/26/97/21/156269721.db2.gz VRUNAERQWYPEHP-OAGGEKHMSA-N 0 3 256.349 2.466 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2C[C@H]3CCCC[C@H]32)cc1 ZINC000368002355 156270829 /nfs/dbraw/zinc/27/08/29/156270829.db2.gz VRUNAERQWYPEHP-BZUAXINKSA-N 0 3 256.349 2.466 20 30 CEEDHN N#Cc1ccc(OC[C@H](O)CN2C[C@H]3CCCC[C@H]32)cc1 ZINC000368081427 156285843 /nfs/dbraw/zinc/28/58/43/156285843.db2.gz NBSXMSJRAMPUKU-BFYDXBDKSA-N 0 3 286.375 2.172 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(C#N)cc3)C[C@H]21 ZINC000373191021 156834960 /nfs/dbraw/zinc/83/49/60/156834960.db2.gz NHNWWJONADDKMQ-UKRRQHHQSA-N 0 3 284.363 2.116 20 30 CEEDHN C[C@H]1CN(CCCOc2cccc(C#N)c2)CC[C@@H]1O ZINC000166270930 162348010 /nfs/dbraw/zinc/34/80/10/162348010.db2.gz LYGQGBZKNGQAEO-BBRMVZONSA-N 0 3 274.364 2.030 20 30 CEEDHN N#Cc1ccc(CCC(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000171444803 162383626 /nfs/dbraw/zinc/38/36/26/162383626.db2.gz CABZEOQQYYPBTE-QGZVFWFLSA-N 0 3 297.402 2.188 20 30 CEEDHN N#Cc1cc(CN2CCCN(C3CC3)CC2)ccc1F ZINC000176889776 165177982 /nfs/dbraw/zinc/17/79/82/165177982.db2.gz LGNWGJFZHPYFAF-UHFFFAOYSA-N 0 3 273.355 2.367 20 30 CEEDHN COC(=O)[C@@H](C)CN(Cc1ccc(C#N)s1)C1CC1 ZINC000182070477 165362965 /nfs/dbraw/zinc/36/29/65/165362965.db2.gz CWWZHPOMMYEBRA-JTQLQIEISA-N 0 3 278.377 2.393 20 30 CEEDHN CCNC(=O)C[C@@H]1CCCCN1Cc1ccccc1C#N ZINC000284729025 196120085 /nfs/dbraw/zinc/12/00/85/196120085.db2.gz KEMXYCPRLPUVCV-INIZCTEOSA-N 0 3 285.391 2.439 20 30 CEEDHN C[C@H](C1CC1)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000035207508 172051901 /nfs/dbraw/zinc/05/19/01/172051901.db2.gz GZKJAAXFIWBBDL-LLVKDONJSA-N 0 3 257.337 2.227 20 30 CEEDHN CC(C)Cc1ccc(CNCCn2cnc(C#N)n2)cc1 ZINC000285447554 196286818 /nfs/dbraw/zinc/28/68/18/196286818.db2.gz ISPZTVNSGFHXDK-UHFFFAOYSA-N 0 3 283.379 2.138 20 30 CEEDHN CC(C)[C@H](CNc1ccc(C#N)cc1)N1CCN(C)CC1 ZINC000040433493 174261121 /nfs/dbraw/zinc/26/11/21/174261121.db2.gz OHOLVSNPFPYZON-KRWDZBQOSA-N 0 3 286.423 2.242 20 30 CEEDHN C=CCCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000660325478 414770219 /nfs/dbraw/zinc/77/02/19/414770219.db2.gz YCCTVNPBHICVLJ-UHFFFAOYSA-N 0 3 261.369 2.124 20 30 CEEDHN C=CCCn1cc(CNC[C@H](c2ccccc2)N(C)C)nn1 ZINC000657289434 414834863 /nfs/dbraw/zinc/83/48/63/414834863.db2.gz QMQMLBWGRVQUAQ-QGZVFWFLSA-N 0 3 299.422 2.247 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654316908 414905036 /nfs/dbraw/zinc/90/50/36/414905036.db2.gz FEVSXNZGHQIZHC-ZMSDIMECSA-N 0 3 294.439 2.348 20 30 CEEDHN CC#CCN(C)CC[C@H]1Sc2ccccc2NC1=O ZINC000660647955 414915993 /nfs/dbraw/zinc/91/59/93/414915993.db2.gz UXRKWNAKWYVQIR-CQSZACIVSA-N 0 3 274.389 2.445 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000660702966 414940227 /nfs/dbraw/zinc/94/02/27/414940227.db2.gz NCCVJGZNTSJAFG-GOEBONIOSA-N 0 3 291.439 2.468 20 30 CEEDHN CN1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000044537680 175199533 /nfs/dbraw/zinc/19/95/33/175199533.db2.gz JRNBQFGQENOACN-LLVKDONJSA-N 0 3 274.324 2.220 20 30 CEEDHN C=CCOCCCN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000658210295 415257938 /nfs/dbraw/zinc/25/79/38/415257938.db2.gz PIVVLPGJIJCKMZ-CQSZACIVSA-N 0 3 297.420 2.031 20 30 CEEDHN CC(=O)c1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000655420362 415258881 /nfs/dbraw/zinc/25/88/81/415258881.db2.gz RDKXQGIFVHPPKQ-CQSZACIVSA-N 0 3 273.336 2.239 20 30 CEEDHN C=CCCN[C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000658117301 415222489 /nfs/dbraw/zinc/22/24/89/415222489.db2.gz SVOXDGJGPVUIHQ-LLVKDONJSA-N 0 3 283.393 2.325 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](CN)C(F)(F)F ZINC000659025245 415394512 /nfs/dbraw/zinc/39/45/12/415394512.db2.gz PHSSOBKKUCKRRY-GMTAPVOTSA-N 0 3 293.333 2.310 20 30 CEEDHN C=CCC1(NCc2ncnn2CCF)CCCC1 ZINC000661851584 415497795 /nfs/dbraw/zinc/49/77/95/415497795.db2.gz XQBPLPBMHBTUEU-UHFFFAOYSA-N 0 3 252.337 2.226 20 30 CEEDHN C=CCN(CC(=O)NC1CCN(C2CC2)CC1)C(C)(C)C ZINC000661754666 415445244 /nfs/dbraw/zinc/44/52/44/415445244.db2.gz ADJSODGTUUBXEV-UHFFFAOYSA-N 0 3 293.455 2.016 20 30 CEEDHN C=CCN(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C(C)(C)C ZINC000661755104 415446193 /nfs/dbraw/zinc/44/61/93/415446193.db2.gz KAECACKBAUCOPB-HUUCEWRRSA-N 0 3 294.439 2.443 20 30 CEEDHN C=CCN1CC[C@H](N2CCC[C@H]([C@@H]3CCCCO3)C2)C1=O ZINC000661877184 415518239 /nfs/dbraw/zinc/51/82/39/415518239.db2.gz WQCKUANVMDQDQJ-JYJNAYRXSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCN(C(=O)C[C@H](N)c1ccccc1)[C@@H](C)COC ZINC000659339745 415528676 /nfs/dbraw/zinc/52/86/76/415528676.db2.gz LLUQRRGFEZCHOT-ZFWWWQNUSA-N 0 3 276.380 2.126 20 30 CEEDHN C=CCCCCCN(C)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655917812 415547027 /nfs/dbraw/zinc/54/70/27/415547027.db2.gz BKAWRNQESILVTN-JTQLQIEISA-N 0 3 281.322 2.264 20 30 CEEDHN CCC#C[C@H](C)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000665253734 415651088 /nfs/dbraw/zinc/65/10/88/415651088.db2.gz HCPDRBWXWBUSRE-LSDHHAIUSA-N 0 3 262.397 2.265 20 30 CEEDHN C=CCN(Cc1ccc(Cl)s1)C[C@H]1CNCCO1 ZINC000662249528 415711081 /nfs/dbraw/zinc/71/10/81/415711081.db2.gz WHXNGUHKHWQCCC-LLVKDONJSA-N 0 3 286.828 2.378 20 30 CEEDHN COCC#CCN1CCN(c2ccnc3ccccc32)CC1 ZINC000656533454 415748253 /nfs/dbraw/zinc/74/82/53/415748253.db2.gz POIGLSXGQHMONJ-UHFFFAOYSA-N 0 3 295.386 2.007 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNc1nccnc1C#N)C(C)C ZINC000072082173 176313152 /nfs/dbraw/zinc/31/31/52/176313152.db2.gz XVAVDGAKBLBUKU-HNNXBMFYSA-N 0 3 285.395 2.459 20 30 CEEDHN C=CCCNC(=O)NCCCN(C)Cc1ccccc1 ZINC000660272848 415949796 /nfs/dbraw/zinc/94/97/96/415949796.db2.gz DRPHSCHLAVHATO-UHFFFAOYSA-N 0 3 275.396 2.384 20 30 CEEDHN N#CCCCN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000076394716 177014475 /nfs/dbraw/zinc/01/44/75/177014475.db2.gz ARAMZMMNHUWYTN-ZDUSSCGKSA-N 0 3 269.352 2.212 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1CCC#N ZINC000077372054 177259890 /nfs/dbraw/zinc/25/98/90/177259890.db2.gz KREQIOYUTOINBZ-OAHLLOKOSA-N 0 3 257.381 2.496 20 30 CEEDHN Cn1nc2c(c1CN[C@@H]1CC[C@H](C#N)C1)CCCC2 ZINC000334604895 225084093 /nfs/dbraw/zinc/08/40/93/225084093.db2.gz IVSUCUBCXFHFNZ-NWDGAFQWSA-N 0 3 258.369 2.081 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000333171100 287353034 /nfs/dbraw/zinc/35/30/34/287353034.db2.gz KIDKXUHQTQXVSE-PBHICJAKSA-N 0 3 289.423 2.309 20 30 CEEDHN C[C@H]1CCN(C)CCN1C(=O)Nc1cccc(CC#N)c1 ZINC000334726289 225292375 /nfs/dbraw/zinc/29/23/75/225292375.db2.gz REPQMRORCCFXLK-ZDUSSCGKSA-N 0 3 286.379 2.311 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)Nc2cccc(CC#N)c2)CCN1C ZINC000334982630 225384981 /nfs/dbraw/zinc/38/49/81/225384981.db2.gz QNZVLSUREYAMHJ-SWLSCSKDSA-N 0 3 286.379 2.357 20 30 CEEDHN CO[C@@H](CNC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000345609560 225566658 /nfs/dbraw/zinc/56/66/58/225566658.db2.gz IQSILLYQFVOPEH-SKDRFNHKSA-N 0 3 266.728 2.303 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000348631083 287382613 /nfs/dbraw/zinc/38/26/13/287382613.db2.gz YJJBIFCGQGYEKX-RDJZCZTQSA-N 0 3 287.407 2.215 20 30 CEEDHN Cc1cc(C)n(-c2ccc(CCNC(=O)C(C)C#N)cc2)n1 ZINC000347065491 226011629 /nfs/dbraw/zinc/01/16/29/226011629.db2.gz IWMIRUQZBZPWJY-LBPRGKRZSA-N 0 3 296.374 2.308 20 30 CEEDHN Cc1cccnc1CNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000329273350 227399650 /nfs/dbraw/zinc/39/96/50/227399650.db2.gz AOBBXEHJWHTXFE-CYBMUJFWSA-N 0 3 288.395 2.044 20 30 CEEDHN Cc1ncoc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000329971379 228002652 /nfs/dbraw/zinc/00/26/52/228002652.db2.gz VNCDIZPCBKWYKR-NSHDSACASA-N 0 3 263.341 2.305 20 30 CEEDHN Cc1cccc(NCCNC(=O)[C@H]2CCCN2C2CC2)n1 ZINC000330230394 228073691 /nfs/dbraw/zinc/07/36/91/228073691.db2.gz QODAJKRPBCWRRF-CQSZACIVSA-N 0 3 288.395 2.385 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000332707066 228165834 /nfs/dbraw/zinc/16/58/34/228165834.db2.gz XFYPXJNWADFINI-HZSPNIEDSA-N 0 3 263.385 2.189 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000332707087 228165954 /nfs/dbraw/zinc/16/59/54/228165954.db2.gz XFYPXJNWADFINI-RDBSUJKOSA-N 0 3 263.385 2.189 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1CCc2cccc(Cl)c2C1 ZINC000666122337 419549004 /nfs/dbraw/zinc/54/90/04/419549004.db2.gz JRODEJMCPXKTQQ-GFCCVEGCSA-N 0 3 278.783 2.089 20 30 CEEDHN C=CCC[C@@H](NC[C@@H]1CCCNC1=O)c1ccco1 ZINC000666186404 419571912 /nfs/dbraw/zinc/57/19/12/419571912.db2.gz RUGGBAFPCXKRPY-QWHCGFSZSA-N 0 3 262.353 2.403 20 30 CEEDHN C=CCOCCCNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000666521759 419706080 /nfs/dbraw/zinc/70/60/80/419706080.db2.gz DHLAUIXVAKPVCJ-UHFFFAOYSA-N 0 3 297.443 2.095 20 30 CEEDHN C#CCOc1ccccc1CNCC[S@](=O)C(C)(C)C ZINC000116920587 260006963 /nfs/dbraw/zinc/00/69/63/260006963.db2.gz RJTRJAPMRBRGNH-HXUWFJFHSA-N 0 3 293.432 2.335 20 30 CEEDHN C[C@H](C(=O)NCC#Cc1ccccc1)N1[C@H](C)CC[C@H]1C ZINC000299598858 260189337 /nfs/dbraw/zinc/18/93/37/260189337.db2.gz DXZJJHAWMMQJRB-BZUAXINKSA-N 0 3 284.403 2.416 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CC1CCC1 ZINC000111298486 260267082 /nfs/dbraw/zinc/26/70/82/260267082.db2.gz UTLQIBHKWKVOQO-DOMZBBRYSA-N 0 3 265.401 2.161 20 30 CEEDHN C[C@H](CC#N)N(C)C(=O)[C@H](C)N1CCCCCC1 ZINC000155805258 260773251 /nfs/dbraw/zinc/77/32/51/260773251.db2.gz SSRSBFXMAZSOAL-OLZOCXBDSA-N 0 3 251.374 2.011 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000248703696 260926286 /nfs/dbraw/zinc/92/62/86/260926286.db2.gz ANPAPXVZQDNWGC-IJEWVQPXSA-N 0 3 298.390 2.249 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448259704 261069328 /nfs/dbraw/zinc/06/93/28/261069328.db2.gz GHZVLMURMNJMMQ-AWEZNQCLSA-N 0 3 279.428 2.490 20 30 CEEDHN C#C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C(C)C ZINC000490635470 261174415 /nfs/dbraw/zinc/17/44/15/261174415.db2.gz HJYIGODOJVQGPP-ZIAGYGMSSA-N 0 3 250.386 2.025 20 30 CEEDHN CC[C@@H](CC#N)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000184080686 262007280 /nfs/dbraw/zinc/00/72/80/262007280.db2.gz FJTGIAKLDIKAHG-ZDUSSCGKSA-N 0 3 275.352 2.166 20 30 CEEDHN C[C@@H](C#N)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000309875097 262043698 /nfs/dbraw/zinc/04/36/98/262043698.db2.gz SWBWCGQMTTVEIS-AWEZNQCLSA-N 0 3 285.391 2.269 20 30 CEEDHN N#C[C@H]1CCC[C@H](NCc2ccc(Cn3cncn3)cc2)C1 ZINC000185771506 262069633 /nfs/dbraw/zinc/06/96/33/262069633.db2.gz FGQZKZNNBWLRMX-IRXDYDNUSA-N 0 3 295.390 2.498 20 30 CEEDHN C=C(CN(C)C)C(=O)Nc1ccc(F)c(NC(=O)OC)c1 ZINC000497304703 262139732 /nfs/dbraw/zinc/13/97/32/262139732.db2.gz HWVLXQOGHCGJNO-UHFFFAOYSA-N 0 3 295.314 2.060 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2c3ccccc3C[C@@H]2O)C1 ZINC000192725074 262209490 /nfs/dbraw/zinc/20/94/90/262209490.db2.gz FOWXPBCKEJPSNW-SHPPOPEUSA-N 0 3 256.349 2.317 20 30 CEEDHN CN(CCCCC(C)(C)C#N)[C@@H]1CCCCNC1=O ZINC000364353822 262214455 /nfs/dbraw/zinc/21/44/55/262214455.db2.gz MTERPPQIILFEMY-CYBMUJFWSA-N 0 3 265.401 2.307 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NCC(=O)NCCc2ccccc2)C1 ZINC000193089660 262215847 /nfs/dbraw/zinc/21/58/47/262215847.db2.gz ARAQUOLDGFDSRG-CVEARBPZSA-N 0 3 285.391 2.017 20 30 CEEDHN N#CCSCCCN1CCc2ccc(O)cc2C1 ZINC000336705754 262381666 /nfs/dbraw/zinc/38/16/66/262381666.db2.gz IEKYOQLDMOIECR-UHFFFAOYSA-N 0 3 262.378 2.397 20 30 CEEDHN COc1ccc([C@@H](CCC#N)NCC[C@@H](C)O)cc1 ZINC000273833657 263019675 /nfs/dbraw/zinc/01/96/75/263019675.db2.gz YTFIHQJASWDYRJ-IUODEOHRSA-N 0 3 262.353 2.401 20 30 CEEDHN C[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279947817 263058285 /nfs/dbraw/zinc/05/82/85/263058285.db2.gz LYFLRHXCANJOMT-CZUORRHYSA-N 0 3 281.359 2.499 20 30 CEEDHN CC(C)=CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279922629 263058291 /nfs/dbraw/zinc/05/82/91/263058291.db2.gz FXMPKHZCVHCBNW-OAHLLOKOSA-N 0 3 267.332 2.323 20 30 CEEDHN C[C@@H](NC(=O)C1(C#N)CCC1)[C@H](c1ccccc1)N(C)C ZINC000280137415 263059164 /nfs/dbraw/zinc/05/91/64/263059164.db2.gz VPZZAWWOWLWJSP-UKRRQHHQSA-N 0 3 285.391 2.488 20 30 CEEDHN C[C@@]1(O)CCCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000280139032 263059271 /nfs/dbraw/zinc/05/92/71/263059271.db2.gz QYYDOHXATNXLST-MRXNPFEDSA-N 0 3 274.364 2.326 20 30 CEEDHN N#C[C@H]1CC[C@H](N2CCCN(c3nccs3)CC2)C1 ZINC000280724788 263063918 /nfs/dbraw/zinc/06/39/18/263063918.db2.gz CLJSIAINBPVSEL-STQMWFEESA-N 0 3 276.409 2.347 20 30 CEEDHN C#CCCNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000369543327 263086170 /nfs/dbraw/zinc/08/61/70/263086170.db2.gz DXQSFFYXDPMZMK-JSGCOSHPSA-N 0 3 291.420 2.063 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@](C)(C#N)CC)CC1 ZINC000285394643 263092686 /nfs/dbraw/zinc/09/26/86/263092686.db2.gz OHOHKHMSTRRTCL-OAHLLOKOSA-N 0 3 263.385 2.083 20 30 CEEDHN Cc1cnn([C@H]2CCN(CCCSCC#N)C2)c1 ZINC000290042830 263114261 /nfs/dbraw/zinc/11/42/61/263114261.db2.gz WOZZNHMOTLRYLG-ZDUSSCGKSA-N 0 3 264.398 2.085 20 30 CEEDHN CCc1ccc([C@H](C#N)NC(=O)C2CCN(C)CC2)cc1 ZINC000293378322 263139679 /nfs/dbraw/zinc/13/96/79/263139679.db2.gz LIVXAROKOWKROQ-INIZCTEOSA-N 0 3 285.391 2.272 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H](OCc3ccncc3)C2)C1 ZINC000294280992 263159271 /nfs/dbraw/zinc/15/92/71/263159271.db2.gz WBLHLPUBTZVLKH-OWCLPIDISA-N 0 3 271.364 2.365 20 30 CEEDHN COc1cccc(C2(NCCOCCC#N)CC2)c1 ZINC000294670029 263165549 /nfs/dbraw/zinc/16/55/49/263165549.db2.gz RTTVTWRYRFGLPE-UHFFFAOYSA-N 0 3 260.337 2.204 20 30 CEEDHN C[C@@H]1CN(c2ccccc2CNCCCC#N)CCO1 ZINC000297833287 263210512 /nfs/dbraw/zinc/21/05/12/263210512.db2.gz ZVSYHTVMRUAGQW-CQSZACIVSA-N 0 3 273.380 2.305 20 30 CEEDHN CC#CCN[C@H](C)[C@H](Cc1ccccc1)C(=O)OC ZINC000342106210 263388194 /nfs/dbraw/zinc/38/81/94/263388194.db2.gz VWIKCLCAMKBNEY-HIFRSBDPSA-N 0 3 259.349 2.020 20 30 CEEDHN C=C1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000342110445 263389117 /nfs/dbraw/zinc/38/91/17/263389117.db2.gz WYHBFVGROAKZRK-MJBXVCDLSA-N 0 3 250.386 2.426 20 30 CEEDHN CCNC(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000330873615 264060081 /nfs/dbraw/zinc/06/00/81/264060081.db2.gz DFNKCVRZOQEDDK-AWEZNQCLSA-N 0 3 299.459 2.114 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)C[C@H]1CC=CCC1 ZINC000330851322 264067851 /nfs/dbraw/zinc/06/78/51/264067851.db2.gz QBMAEQJWFIYVKE-GOEBONIOSA-N 0 3 277.412 2.329 20 30 CEEDHN CCC(O)(CC)CCNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000331004937 264105760 /nfs/dbraw/zinc/10/57/60/264105760.db2.gz PFDOEHNWEHCCJO-UONOGXRCSA-N 0 3 299.459 2.114 20 30 CEEDHN CCc1nc(C)c(NC(=O)NC[C@@H](C)N(C)C)s1 ZINC000331212129 264163572 /nfs/dbraw/zinc/16/35/72/264163572.db2.gz ZJNDSYQDUNNHSL-MRVPVSSYSA-N 0 3 270.402 2.290 20 30 CEEDHN CC1(C)[C@H](O)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000331149336 264138821 /nfs/dbraw/zinc/13/88/21/264138821.db2.gz JAYQWHRTJIIAKS-HUUCEWRRSA-N 0 3 286.375 2.131 20 30 CEEDHN C[C@@H](CNC(=O)c1snnc1C(C)(C)C)N(C)C ZINC000331172347 264146523 /nfs/dbraw/zinc/14/65/23/264146523.db2.gz FWMHBQYFPCHESX-QMMMGPOBSA-N 0 3 270.402 2.090 20 30 CEEDHN C=CCC[C@@H](O)CN(C)[C@@H](CCO)c1ccccc1 ZINC000131796983 264381169 /nfs/dbraw/zinc/38/11/69/264381169.db2.gz YUGVBZYHUGLCCG-CVEARBPZSA-N 0 3 263.381 2.369 20 30 CEEDHN CN(C)[C@@H](CC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000424962874 264398920 /nfs/dbraw/zinc/39/89/20/264398920.db2.gz BGGJEJMFASDMSP-IMJJTQAJSA-N 0 3 285.391 2.488 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)NCC(C)C ZINC000285134421 264554649 /nfs/dbraw/zinc/55/46/49/264554649.db2.gz OCVHGACLCBIQFE-RDJZCZTQSA-N 0 3 286.419 2.371 20 30 CEEDHN C=CCC[C@@H](NC[C@@H](O)c1cnn(C)c1)c1ccco1 ZINC000286073689 264574975 /nfs/dbraw/zinc/57/49/75/264574975.db2.gz LZQOHIXZEZSUHI-ZIAGYGMSSA-N 0 3 275.352 2.344 20 30 CEEDHN CCc1ccc(C#CC(=O)N2CCC[C@@H]2CN(C)C)cc1 ZINC000293317101 264928470 /nfs/dbraw/zinc/92/84/70/264928470.db2.gz XINPCMDZRZJCJR-QGZVFWFLSA-N 0 3 284.403 2.153 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000334917673 265080325 /nfs/dbraw/zinc/08/03/25/265080325.db2.gz QKEIYPYEEYZIQS-IINYFYTJSA-N 0 3 253.305 2.212 20 30 CEEDHN CC(C#N)C(=O)N1CCC(COc2ccccc2)CC1 ZINC000345754232 265096997 /nfs/dbraw/zinc/09/69/97/265096997.db2.gz DIBHIIBTRDDGOG-ZDUSSCGKSA-N 0 3 272.348 2.464 20 30 CEEDHN C=C[C@H](CO)NCc1cccc(-c2ccncc2)c1 ZINC000352473323 265963959 /nfs/dbraw/zinc/96/39/59/265963959.db2.gz SLNNXVDQQYOHGS-MRXNPFEDSA-N 0 3 254.333 2.385 20 30 CEEDHN CC1(C#N)CCN(Cc2ccc(-n3cncn3)cc2)CC1 ZINC000356950348 266217394 /nfs/dbraw/zinc/21/73/94/266217394.db2.gz WCBJWEUIPQOPFY-UHFFFAOYSA-N 0 3 281.363 2.393 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H](C)C1CCC1 ZINC000357037400 266237536 /nfs/dbraw/zinc/23/75/36/266237536.db2.gz MCHSBKRPOUPLKC-IUODEOHRSA-N 0 3 265.401 2.161 20 30 CEEDHN CC(C#N)C(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000357810311 266369845 /nfs/dbraw/zinc/36/98/45/266369845.db2.gz XEWWFHWJZJANJH-STQMWFEESA-N 0 3 260.337 2.430 20 30 CEEDHN CC(C#N)C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000358304933 266451767 /nfs/dbraw/zinc/45/17/67/266451767.db2.gz DNGNQJYPHBQNOC-LLVKDONJSA-N 0 3 268.320 2.195 20 30 CEEDHN C=CCC1(C(=O)NC2CCN(CC)CC2)CCC1 ZINC000358546294 266475842 /nfs/dbraw/zinc/47/58/42/266475842.db2.gz OHGJGCBQKHMAON-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)NCC(C)(C)CCC#N ZINC000358742017 266491166 /nfs/dbraw/zinc/49/11/66/266491166.db2.gz UTFSTVFQVBWKDY-UHFFFAOYSA-N 0 3 282.432 2.298 20 30 CEEDHN N#CCSCCCN[C@H](CO)c1cccc(F)c1 ZINC000359624442 266608348 /nfs/dbraw/zinc/60/83/48/266608348.db2.gz IVDKOAKPZSMNLO-CYBMUJFWSA-N 0 3 268.357 2.096 20 30 CEEDHN C=CCN(C)[C@@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000362564793 267008187 /nfs/dbraw/zinc/00/81/87/267008187.db2.gz OCYHWVPJSRGNOX-ZDUSSCGKSA-N 0 3 294.420 2.405 20 30 CEEDHN CN(C)Cc1ccccc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000362875054 267056738 /nfs/dbraw/zinc/05/67/38/267056738.db2.gz KMNHFKXYHIPFAV-IUODEOHRSA-N 0 3 271.364 2.170 20 30 CEEDHN CN(C)Cc1ccccc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000362875052 267056813 /nfs/dbraw/zinc/05/68/13/267056813.db2.gz KMNHFKXYHIPFAV-DOMZBBRYSA-N 0 3 271.364 2.170 20 30 CEEDHN CC(C)(CCC#N)CN1CCO[C@]2(CCCOC2)C1 ZINC000368042047 267141044 /nfs/dbraw/zinc/14/10/44/267141044.db2.gz VCIXEQDKOCWVPE-OAHLLOKOSA-N 0 3 266.385 2.198 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000368137912 267147905 /nfs/dbraw/zinc/14/79/05/267147905.db2.gz DIZQZSNGPKPMKZ-GDBMZVCRSA-N 0 3 279.428 2.468 20 30 CEEDHN CCO[C@@H]1COC[C@H]1N[C@H](CC)c1ccc(C#N)cc1 ZINC000453355444 267148734 /nfs/dbraw/zinc/14/87/34/267148734.db2.gz MGDUTWFQZFGVLF-BZUAXINKSA-N 0 3 274.364 2.403 20 30 CEEDHN CCSCC[C@@H](C)NCc1cnc2c(C#N)cnn2c1 ZINC000519824553 267180318 /nfs/dbraw/zinc/18/03/18/267180318.db2.gz JOIBZADDJWFVBH-LLVKDONJSA-N 0 3 289.408 2.222 20 30 CEEDHN CC#CCCN1CC[C@@H](N(C)Cc2noc(C(C)C)n2)C1 ZINC000368628155 267191868 /nfs/dbraw/zinc/19/18/68/267191868.db2.gz ZOUZHNXGIKWQHV-CQSZACIVSA-N 0 3 290.411 2.113 20 30 CEEDHN CC[C@@H](NC[C@@H](O)COCC1CC1)c1ccc(C#N)cc1 ZINC000447537146 267194989 /nfs/dbraw/zinc/19/49/89/267194989.db2.gz SUTUGFBCZZAWKW-IAGOWNOFSA-N 0 3 288.391 2.386 20 30 CEEDHN CC[C@H](NCc1cc(C#N)cs1)[C@H](O)C(F)F ZINC000449420830 267222347 /nfs/dbraw/zinc/22/23/47/267222347.db2.gz GWSSEUHNNMKLJS-UWVGGRQHSA-N 0 3 260.309 2.114 20 30 CEEDHN CC[C@H](N[C@H](C)CCS(C)(=O)=O)c1ccc(C#N)cc1 ZINC000447572960 267223357 /nfs/dbraw/zinc/22/33/57/267223357.db2.gz FIFASAUNZYUYNP-DOMZBBRYSA-N 0 3 294.420 2.422 20 30 CEEDHN CC[C@H]1CCCCN1CCNc1cc(C)ncc1C#N ZINC000425235625 267225873 /nfs/dbraw/zinc/22/58/73/267225873.db2.gz ZKXGFJUDIASJBN-HNNXBMFYSA-N 0 3 272.396 2.360 20 30 CEEDHN CC#CCN1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000369623200 267256332 /nfs/dbraw/zinc/25/63/32/267256332.db2.gz SOXLPTPHMJFPPY-OAHLLOKOSA-N 0 3 262.397 2.124 20 30 CEEDHN C#CCOc1ccccc1CN1CC[C@@](O)(C2CC2)C1 ZINC000369684963 267260058 /nfs/dbraw/zinc/26/00/58/267260058.db2.gz YXJCJEKGOSTTPZ-KRWDZBQOSA-N 0 3 271.360 2.045 20 30 CEEDHN CN(C)[C@H](CNc1cncc(C#N)n1)c1cccc(F)c1 ZINC000420589035 267288529 /nfs/dbraw/zinc/28/85/29/267288529.db2.gz RFQDPNORMLOJQM-CQSZACIVSA-N 0 3 285.326 2.202 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)c1cccc(C#N)c1[N+](=O)[O-] ZINC000450334087 267308488 /nfs/dbraw/zinc/30/84/88/267308488.db2.gz RJWLQGGBQKGMMR-LBPRGKRZSA-N 0 3 288.351 2.244 20 30 CEEDHN CN(Cc1cc(C#N)n(C)c1)[C@@H](CO)CC(C)(C)C ZINC000449589584 267312153 /nfs/dbraw/zinc/31/21/53/267312153.db2.gz SXHWPWAHOBOMIS-CQSZACIVSA-N 0 3 263.385 2.126 20 30 CEEDHN CN1CCC[C@@H]1CNC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000455667583 267335701 /nfs/dbraw/zinc/33/57/01/267335701.db2.gz ROONPXIJWOLUGL-MRXNPFEDSA-N 0 3 299.418 2.337 20 30 CEEDHN CN1CC[C@@H]2CN(c3c(C#N)cnc4ccccc43)C[C@@H]21 ZINC000450780451 267339280 /nfs/dbraw/zinc/33/92/80/267339280.db2.gz QQHGAUJVUFPFSX-WBMJQRKESA-N 0 3 278.359 2.247 20 30 CEEDHN CN1C[C@@H]2CCCN(c3ncc(C#N)cc3Cl)[C@@H]2C1 ZINC000425283646 267342640 /nfs/dbraw/zinc/34/26/40/267342640.db2.gz MKESEKBEJWCHQS-WCQYABFASA-N 0 3 276.771 2.137 20 30 CEEDHN C[C@H](NC(=O)NC(C)(C)CN(C)C)c1ccc(C#N)cc1 ZINC000454566761 267844884 /nfs/dbraw/zinc/84/48/84/267844884.db2.gz PMRWKIRVKVRJFN-LBPRGKRZSA-N 0 3 288.395 2.259 20 30 CEEDHN N#Cc1cc(Cl)ccc1NC[C@H]1CCCN1CCCO ZINC000450596115 268180765 /nfs/dbraw/zinc/18/07/65/268180765.db2.gz MYDURXFVNRZSGX-CQSZACIVSA-N 0 3 293.798 2.470 20 30 CEEDHN N#Cc1cccc(/C=C\C(=O)NCCN2CCCCC2)c1 ZINC000491237316 268268755 /nfs/dbraw/zinc/26/87/55/268268755.db2.gz QBVOMKIRFYLFNQ-FPLPWBNLSA-N 0 3 283.375 2.174 20 30 CEEDHN N#Cc1cccc(CC(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000531151633 268273933 /nfs/dbraw/zinc/27/39/33/268273933.db2.gz MYCFTBJMBMCSAX-QGZVFWFLSA-N 0 3 297.402 2.188 20 30 CEEDHN C#C[C@@H](C)NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000274959354 275385636 /nfs/dbraw/zinc/38/56/36/275385636.db2.gz UUAIZPFKIYKIQI-CQSZACIVSA-N 0 3 299.418 2.144 20 30 CEEDHN CC1(C)[C@H](O)C[C@H]1N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353593647 275892753 /nfs/dbraw/zinc/89/27/53/275892753.db2.gz DHDQGJVSIVVOAP-RBSFLKMASA-N 0 3 256.349 2.295 20 30 CEEDHN CCN(CC(=O)NC1(C#N)CCCCC1)CC(C)C ZINC000046063913 276083013 /nfs/dbraw/zinc/08/30/13/276083013.db2.gz AAOXNTTYLYUQER-UHFFFAOYSA-N 0 3 265.401 2.307 20 30 CEEDHN CCN1CC[C@@H](N(C)C(=O)C#Cc2ccccc2)[C@@H](C)C1 ZINC000267073190 276212566 /nfs/dbraw/zinc/21/25/66/276212566.db2.gz IFZPCDWTZGGKPC-DOTOQJQBSA-N 0 3 284.403 2.227 20 30 CEEDHN CN1CCCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000078832541 277052762 /nfs/dbraw/zinc/05/27/62/277052762.db2.gz LEYXEMSMZYCPNX-UHFFFAOYSA-N 0 3 284.285 2.114 20 30 CEEDHN CN1CC[C@H]2CCN(c3nc4c(cc3C#N)CCCC4)C[C@H]21 ZINC000375038598 277178723 /nfs/dbraw/zinc/17/87/23/277178723.db2.gz LVCKRAXVQAJQJI-SUMWQHHRSA-N 0 3 296.418 2.362 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)C1(OC)CCC1)C(C)C ZINC000272976485 277850039 /nfs/dbraw/zinc/85/00/39/277850039.db2.gz REXCPLSOFORNEZ-OAHLLOKOSA-N 0 3 294.439 2.370 20 30 CEEDHN C=CC[C@H](C)NC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000117034417 277885607 /nfs/dbraw/zinc/88/56/07/277885607.db2.gz CJUQCSHPWLJARA-STQMWFEESA-N 0 3 255.406 2.227 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)[C@@H](CO)C(C)(C)C ZINC000134436058 280021832 /nfs/dbraw/zinc/02/18/32/280021832.db2.gz USFJABATWASYSU-HNNXBMFYSA-N 0 3 276.380 2.406 20 30 CEEDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(C#N)cc1 ZINC000287225077 280115394 /nfs/dbraw/zinc/11/53/94/280115394.db2.gz QKUGDJWVJPFYTF-XJKSGUPXSA-N 0 3 283.375 2.257 20 30 CEEDHN C[C@H]1[C@H](NC(=O)C2(C#N)CCCCC2)CCCN1C ZINC000343447949 280116751 /nfs/dbraw/zinc/11/67/51/280116751.db2.gz PMCCDQFFSWVYIT-QWHCGFSZSA-N 0 3 263.385 2.059 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000336148603 280203210 /nfs/dbraw/zinc/20/32/10/280203210.db2.gz RQBYEQVIUVEJDG-XJKSGUPXSA-N 0 3 298.390 2.425 20 30 CEEDHN C[C@H](CNC(=O)c1cc(C#N)cs1)N1CCC[C@H](C)C1 ZINC000246223162 280281315 /nfs/dbraw/zinc/28/13/15/280281315.db2.gz ZZLDPABHMICNSZ-NWDGAFQWSA-N 0 3 291.420 2.470 20 30 CEEDHN CN(Cc1ccc(F)c(C#N)c1)C[C@H]1CCC[C@H]1O ZINC000246236740 280282248 /nfs/dbraw/zinc/28/22/48/280282248.db2.gz GBGOHSGKFOEAQO-IUODEOHRSA-N 0 3 262.328 2.290 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000336491655 289235782 /nfs/dbraw/zinc/23/57/82/289235782.db2.gz MFGGCKAHARGMIU-MLGOLLRUSA-N 0 3 270.332 2.142 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000346686677 290221983 /nfs/dbraw/zinc/22/19/83/290221983.db2.gz SBTQCQYRBMEFNL-IPOQPSJVSA-N 0 3 283.375 2.205 20 30 CEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)NCC(C)(C)CC#N)C1 ZINC000335588836 290242494 /nfs/dbraw/zinc/24/24/94/290242494.db2.gz HBVTVNRJFINVRJ-KGLIPLIRSA-N 0 3 292.427 2.052 20 30 CEEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCC[C@@H](C2CC2)C1 ZINC000329622698 295384210 /nfs/dbraw/zinc/38/42/10/295384210.db2.gz RXBFPKUDYDEHAG-CHWSQXEVSA-N 0 3 288.395 2.303 20 30 CEEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC[C@@H](C2CC2)C1 ZINC000329622698 295384212 /nfs/dbraw/zinc/38/42/12/295384212.db2.gz RXBFPKUDYDEHAG-CHWSQXEVSA-N 0 3 288.395 2.303 20 30 CEEDHN C[C@@H](NCCOC[C@H]1CCCO1)c1cccc(C#N)c1 ZINC000537295895 298208316 /nfs/dbraw/zinc/20/83/16/298208316.db2.gz OPBHQQQTDCAKTC-CZUORRHYSA-N 0 3 274.364 2.404 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H]2C2CCOCC2)nc1 ZINC000566982415 299033615 /nfs/dbraw/zinc/03/36/15/299033615.db2.gz VTBYGDIKNHXJIU-INIZCTEOSA-N 0 3 271.364 2.344 20 30 CEEDHN N#Cc1ccc(CNCCCOC[C@@H]2CCOC2)s1 ZINC000176974243 312714548 /nfs/dbraw/zinc/71/45/48/312714548.db2.gz LFKSXEFOTWJHRG-LBPRGKRZSA-N 0 3 280.393 2.153 20 30 CEEDHN C[C@H](N[C@@H]1CSC[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000507230781 313045240 /nfs/dbraw/zinc/04/52/40/313045240.db2.gz OZYOWFZHSDQOQC-COPLHBTASA-N 0 3 289.404 2.226 20 30 CEEDHN N#Cc1ccc(CNC2CCN(c3cnccn3)CC2)s1 ZINC000575912556 314224719 /nfs/dbraw/zinc/22/47/19/314224719.db2.gz AIVZYSAMMUDRQG-UHFFFAOYSA-N 0 3 299.403 2.168 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)NCC(C)(C)CCC#N)CN1C1CC1 ZINC000354235916 328004560 /nfs/dbraw/zinc/00/45/60/328004560.db2.gz MMYUKDLRZDHZIJ-STQMWFEESA-N 0 3 292.427 2.241 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)OCC ZINC000339365258 328008402 /nfs/dbraw/zinc/00/84/02/328008402.db2.gz YPLIDOLLPBGXJU-ILXRZTDVSA-N 0 3 282.428 2.156 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@@H](C(=O)N(C)C)C1 ZINC000414493149 328187830 /nfs/dbraw/zinc/18/78/30/328187830.db2.gz BMLFVIIFASXNCI-OAHLLOKOSA-N 0 3 288.391 2.162 20 30 CEEDHN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CC(=O)NCC#N ZINC000175432488 329168320 /nfs/dbraw/zinc/16/83/20/329168320.db2.gz IMHAMTFKOWRABE-NWDGAFQWSA-N 0 3 293.798 2.404 20 30 CEEDHN CO[C@H]1CN(Cc2ccc(OCC#N)cc2)CC[C@@H]1C ZINC000275880920 328216961 /nfs/dbraw/zinc/21/69/61/328216961.db2.gz QFYDUBFNMRSETC-BBRMVZONSA-N 0 3 274.364 2.446 20 30 CEEDHN CN(C)CCN(Cc1ccccc1F)C(=O)CCCC#N ZINC000291868460 328267187 /nfs/dbraw/zinc/26/71/87/328267187.db2.gz HZHKDIWBTPFYTN-UHFFFAOYSA-N 0 3 291.370 2.410 20 30 CEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)C2(C#N)CCCCC2)C1 ZINC000164152081 328302009 /nfs/dbraw/zinc/30/20/09/328302009.db2.gz BMOZFXVTFUADNQ-CABCVRRESA-N 0 3 289.423 2.403 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000580527507 322323332 /nfs/dbraw/zinc/32/33/32/322323332.db2.gz HPNLUXPXPGUNQZ-CYBMUJFWSA-N 0 3 286.379 2.330 20 30 CEEDHN CO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C1(C)C ZINC000581014643 322362775 /nfs/dbraw/zinc/36/27/75/322362775.db2.gz NTLPULFIIDTNRN-ZIAGYGMSSA-N 0 3 289.335 2.370 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccccc1CNC ZINC000415900732 328430334 /nfs/dbraw/zinc/43/03/34/328430334.db2.gz LWIRQYYHHVBGQR-CABCVRRESA-N 0 3 289.379 2.261 20 30 CEEDHN C=CC[C@H](CO)NCc1cc(O)cc(C(F)(F)F)c1 ZINC000289555079 328527213 /nfs/dbraw/zinc/52/72/13/328527213.db2.gz QMDQVGVTQCCTJS-LLVKDONJSA-N 0 3 275.270 2.438 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2ccnc(N3CCCC3)c2)C1 ZINC000558426446 327093768 /nfs/dbraw/zinc/09/37/68/327093768.db2.gz JVMNUURZNGEKLR-HIFRSBDPSA-N 0 3 270.380 2.464 20 30 CEEDHN C[C@@H](c1ccccc1)[C@@H](O)CNCC1(CC#N)CC1 ZINC000566124062 327142312 /nfs/dbraw/zinc/14/23/12/327142312.db2.gz GXYKWPKXOPLPBA-ZFWWWQNUSA-N 0 3 258.365 2.434 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H](C)C[C@@H](C)C1 ZINC000127609797 327151075 /nfs/dbraw/zinc/15/10/75/327151075.db2.gz OPFLWQQVOHBSJH-FMKPAKJESA-N 0 3 279.428 2.409 20 30 CEEDHN C=CCCCCCNC(=O)N(C)C[C@@H]1CCCN1C ZINC000569588869 327201394 /nfs/dbraw/zinc/20/13/94/327201394.db2.gz GGZVTZMLIRGWPA-AWEZNQCLSA-N 0 3 267.417 2.468 20 30 CEEDHN C[C@H]1CC[C@@H](NCCn2cnc(C#N)n2)c2sccc21 ZINC000584274101 327206322 /nfs/dbraw/zinc/20/63/22/327206322.db2.gz LDBUXWSXZLIJMG-CMPLNLGQSA-N 0 3 287.392 2.439 20 30 CEEDHN COCC(=O)Nc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000559782690 327260844 /nfs/dbraw/zinc/26/08/44/327260844.db2.gz YGOULRZMQBTKIM-OCCSQVGLSA-N 0 3 287.363 2.053 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)C)CC1 ZINC000150746663 327370201 /nfs/dbraw/zinc/37/02/01/327370201.db2.gz JMIOFOWFKPPEAJ-UHFFFAOYSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCOc1ccc(CNCC[C@@H](C)O)cc1OC ZINC000114771012 328657081 /nfs/dbraw/zinc/65/70/81/328657081.db2.gz WNBFUYROHLNSGZ-GFCCVEGCSA-N 0 3 265.353 2.121 20 30 CEEDHN C=CCOCCCC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000375070923 328999893 /nfs/dbraw/zinc/99/98/93/328999893.db2.gz PPJASBKQQIQPOA-UHFFFAOYSA-N 0 3 292.354 2.393 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H](C)[C@@H](C)CC)CC1 ZINC000171724621 329079106 /nfs/dbraw/zinc/07/91/06/329079106.db2.gz BGNLXONMQUODAI-QWHCGFSZSA-N 0 3 267.417 2.371 20 30 CEEDHN CC[C@@H](C)CN(CC)CC(=O)N(CC)CCC#N ZINC000177846203 329192996 /nfs/dbraw/zinc/19/29/96/329192996.db2.gz XFCBNEHKOAYAPL-CYBMUJFWSA-N 0 3 253.390 2.117 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000184274170 329258558 /nfs/dbraw/zinc/25/85/58/329258558.db2.gz WJGREFQMHNBBGQ-DOTOQJQBSA-N 0 3 291.391 2.271 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC000185331091 329270633 /nfs/dbraw/zinc/27/06/33/329270633.db2.gz KPAPTIUPAKJBAH-GJZGRUSLSA-N 0 3 264.413 2.435 20 30 CEEDHN C#C[C@H](C)NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000186014990 329336031 /nfs/dbraw/zinc/33/60/31/329336031.db2.gz YHCWZLDURNJHKK-HNNXBMFYSA-N 0 3 299.418 2.014 20 30 CEEDHN CC[C@@H](CN(CC)CC(=O)NCC#N)c1ccccc1 ZINC000186624219 329346769 /nfs/dbraw/zinc/34/67/69/329346769.db2.gz OGEIURPCYUXNLJ-AWEZNQCLSA-N 0 3 273.380 2.142 20 30 CEEDHN C=CCC[C@H](O)CN[C@H](C[S@@](C)=O)c1ccccc1 ZINC000248556315 329891958 /nfs/dbraw/zinc/89/19/58/329891958.db2.gz IHRMTTXCWMVWEX-QMTMVMCOSA-N 0 3 281.421 2.023 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@H]2c3ccccc3C[C@@H]2O)C1 ZINC000248747661 329898731 /nfs/dbraw/zinc/89/87/31/329898731.db2.gz FOWXPBCKEJPSNW-XTBFLFJDSA-N 0 3 256.349 2.317 20 30 CEEDHN C#CCN(C(=O)NC[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000274083940 330103045 /nfs/dbraw/zinc/10/30/45/330103045.db2.gz HKIOIPPIVHGOHF-MRXNPFEDSA-N 0 3 285.391 2.097 20 30 CEEDHN CCN(C[C@H]1CCN(CCCC#N)C1)CC(F)(F)F ZINC000081557294 330212723 /nfs/dbraw/zinc/21/27/23/330212723.db2.gz BJAABZKPBSSYPZ-GFCCVEGCSA-N 0 3 277.334 2.496 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(CNC)c1 ZINC000424060071 330218599 /nfs/dbraw/zinc/21/85/99/330218599.db2.gz PBRJMNKGDNOIPW-CABCVRRESA-N 0 3 274.364 2.326 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCCc1cccc(Cl)c1 ZINC000424063820 330219169 /nfs/dbraw/zinc/21/91/69/330219169.db2.gz IZBRMSGGFZTPKF-ZDUSSCGKSA-N 0 3 279.771 2.020 20 30 CEEDHN C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424066469 330219248 /nfs/dbraw/zinc/21/92/48/330219248.db2.gz SXRBSLJHFXCTBK-SMDDNHRTSA-N 0 3 277.343 2.366 20 30 CEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1F ZINC000424065413 330219359 /nfs/dbraw/zinc/21/93/59/330219359.db2.gz LIGUWDHLMQJOKZ-RNCFNFMXSA-N 0 3 281.306 2.163 20 30 CEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1c(F)cccc1F ZINC000424099089 330231258 /nfs/dbraw/zinc/23/12/58/330231258.db2.gz LTDKZGQCUKYLMH-SKDRFNHKSA-N 0 3 281.306 2.163 20 30 CEEDHN CC1(C)CCC(NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424129516 330260207 /nfs/dbraw/zinc/26/02/07/330260207.db2.gz SBNYDTYFPLXSJP-LBPRGKRZSA-N 0 3 251.374 2.093 20 30 CEEDHN CC1CCC(C)(NC(=O)[C@H](N)CCCC#N)CC1 ZINC000424113854 330242351 /nfs/dbraw/zinc/24/23/51/330242351.db2.gz ORUZXWDJXFNPBM-MBHSVXNSSA-N 0 3 251.374 2.093 20 30 CEEDHN CC(C)(C)[C@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424115707 330243481 /nfs/dbraw/zinc/24/34/81/330243481.db2.gz VKZWRABULMYTIJ-VXGBXAGGSA-N 0 3 251.374 2.045 20 30 CEEDHN C[C@H](CCC(C)(C)C)NC(=O)[C@@H](N)CCCC#N ZINC000424119735 330247647 /nfs/dbraw/zinc/24/76/47/330247647.db2.gz GEYPFBZVCAQFHM-NEPJUHHUSA-N 0 3 253.390 2.339 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1nc2c(cccc2Cl)[nH]1 ZINC000424133733 330266244 /nfs/dbraw/zinc/26/62/44/330266244.db2.gz ZWFDYIUALDFTJE-SECBINFHSA-N 0 3 291.742 2.176 20 30 CEEDHN C[C@@H]1c2ccccc2CCN1C(=O)[C@H](N)CCCC#N ZINC000424137669 330274861 /nfs/dbraw/zinc/27/48/61/330274861.db2.gz MDLMNGRMYVHIEW-IUODEOHRSA-N 0 3 271.364 2.153 20 30 CEEDHN CSc1ccc(N(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424138913 330277955 /nfs/dbraw/zinc/27/79/55/330277955.db2.gz NEIQWHNZQXMWRF-ZDUSSCGKSA-N 0 3 277.393 2.392 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000424166927 330309432 /nfs/dbraw/zinc/30/94/32/330309432.db2.gz GXQFAPQNIFFLIN-UFYAKOEJSA-N 0 3 289.423 2.196 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000424173726 330313706 /nfs/dbraw/zinc/31/37/06/330313706.db2.gz LRTCHQGEWNJDSJ-CYBMUJFWSA-N 0 3 284.319 2.301 20 30 CEEDHN COc1cc(C)c(NC(=O)[C@@H](N)CCCC#N)cc1F ZINC000424176417 330316592 /nfs/dbraw/zinc/31/65/92/330316592.db2.gz 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/nfs/dbraw/zinc/63/26/41/330632641.db2.gz ABUNLNDGZMNXOE-IUODEOHRSA-N 0 3 281.421 2.453 20 30 CEEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)C(=O)N1Cc2ccccc2C1 ZINC000442848851 330786744 /nfs/dbraw/zinc/78/67/44/330786744.db2.gz AXNGNENDPAQUGQ-ZENOOKHLSA-N 0 3 283.375 2.199 20 30 CEEDHN CNC(=O)CC[C@@H]1CCCCN1CC1(C#N)CCC1 ZINC000450990790 331010662 /nfs/dbraw/zinc/01/06/62/331010662.db2.gz JSWDUQUVLJOKPN-ZDUSSCGKSA-N 0 3 263.385 2.061 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451362636 331025892 /nfs/dbraw/zinc/02/58/92/331025892.db2.gz RBZUBGJCDZRBBP-CVYDXHPNSA-N 0 3 286.419 2.331 20 30 CEEDHN CC(C)(C#N)CCCCN1CC[C@@](O)(C(F)F)C1 ZINC000451437063 331029504 /nfs/dbraw/zinc/02/95/04/331029504.db2.gz SEZYTMZNDHUBES-ZDUSSCGKSA-N 0 3 260.328 2.408 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000451507616 331031936 /nfs/dbraw/zinc/03/19/36/331031936.db2.gz LYFQZOVKCUUPLW-BPLDGKMQSA-N 0 3 282.428 2.060 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](OC)[C@H](C)C1 ZINC000451537836 331032847 /nfs/dbraw/zinc/03/28/47/331032847.db2.gz CXYHTQPCMZMBJG-ILXRZTDVSA-N 0 3 282.428 2.156 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cc(C)cc(C)c1 ZINC000451605840 331036315 /nfs/dbraw/zinc/03/63/15/331036315.db2.gz KPJFZIFOMIEXMK-CABCVRRESA-N 0 3 274.364 2.175 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000451607284 331036480 /nfs/dbraw/zinc/03/64/80/331036480.db2.gz PEWXSYKXTSMPLI-DFBGVHRSSA-N 0 3 292.354 2.394 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1oc(CC)nc1C ZINC000451684873 331039184 /nfs/dbraw/zinc/03/91/84/331039184.db2.gz WLFPSEVDHICLTC-NEPJUHHUSA-N 0 3 250.342 2.369 20 30 CEEDHN CC[C@@H]1CC[C@H](C)N(CC(=O)N(CCC#N)CCC#N)C1 ZINC000451969942 331048979 /nfs/dbraw/zinc/04/89/79/331048979.db2.gz RSSOENCQMXPSCF-LSDHHAIUSA-N 0 3 290.411 2.153 20 30 CEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)C(C)(C)C#N ZINC000452347024 331062966 /nfs/dbraw/zinc/06/29/66/331062966.db2.gz YNLMGDBDNDEGOS-ZDUSSCGKSA-N 0 3 265.401 2.163 20 30 CEEDHN C[C@H](C(=O)N[C@H]1CC[C@@H](CC#N)C1)N1[C@H](C)CC[C@H]1C ZINC000452560542 331069013 /nfs/dbraw/zinc/06/90/13/331069013.db2.gz FAQLSJGEXQWQPM-ZSAUSMIDSA-N 0 3 277.412 2.446 20 30 CEEDHN C=C(C)CCNC(=O)NCCN1CCCC[C@@H]1C ZINC000454304381 331143791 /nfs/dbraw/zinc/14/37/91/331143791.db2.gz OOTHDPAWNKJMQE-ZDUSSCGKSA-N 0 3 253.390 2.126 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454823898 331154605 /nfs/dbraw/zinc/15/46/05/331154605.db2.gz ZEKPEXHXIUJEML-MELADBBJSA-N 0 3 265.401 2.077 20 30 CEEDHN C=C(C)CCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000454876926 331155483 /nfs/dbraw/zinc/15/54/83/331155483.db2.gz PZXLTIMTSXXNMV-CYBMUJFWSA-N 0 3 267.417 2.372 20 30 CEEDHN C[C@@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)N(C)C ZINC000455704750 331175808 /nfs/dbraw/zinc/17/58/08/331175808.db2.gz NZHULAHQHGDJPA-JTQLQIEISA-N 0 3 294.786 2.478 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000456849396 331207434 /nfs/dbraw/zinc/20/74/34/331207434.db2.gz 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/nfs/dbraw/zinc/23/93/53/331239353.db2.gz PKLQYAMKPZFPFG-JHJVBQTASA-N 0 3 265.401 2.304 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)C2CC(C)(C)C2)CC1 ZINC000458332840 331249055 /nfs/dbraw/zinc/24/90/55/331249055.db2.gz KHISVGZJFZLCAC-UHFFFAOYSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000458815515 331261394 /nfs/dbraw/zinc/26/13/94/331261394.db2.gz YEUPFSCYWYMRDK-KGLIPLIRSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCN(C(=O)[C@@H](C)[C@@H](N)c1ccccc1)C1CC1 ZINC000165285012 331306023 /nfs/dbraw/zinc/30/60/23/331306023.db2.gz NPARKEJNIOHMQM-SWLSCSKDSA-N 0 3 258.365 2.500 20 30 CEEDHN C=CCn1cccc1C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000488837121 332028406 /nfs/dbraw/zinc/02/84/06/332028406.db2.gz JYBKBZHEOPPEGC-HNNXBMFYSA-N 0 3 287.407 2.375 20 30 CEEDHN C=CCCCS(=O)(=O)NCc1ccc(CN(C)C)cc1 ZINC000489067538 332040293 /nfs/dbraw/zinc/04/02/93/332040293.db2.gz CTIQWYJFHXELGF-UHFFFAOYSA-N 0 3 296.436 2.134 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000490015928 332076826 /nfs/dbraw/zinc/07/68/26/332076826.db2.gz JOMBITAKIZUXCH-INIZCTEOSA-N 0 3 290.411 2.113 20 30 CEEDHN C#CCN(CC)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000490555747 332091655 /nfs/dbraw/zinc/09/16/55/332091655.db2.gz JYJSFIWXNPBDSV-WBVHZDCISA-N 0 3 299.418 2.487 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)CC1 ZINC000490635197 332098213 /nfs/dbraw/zinc/09/82/13/332098213.db2.gz FARQFDQWSQJNRO-KDOFPFPSSA-N 0 3 296.414 2.381 20 30 CEEDHN C#CCN(CC)Cc1ccc(-n2cncn2)c(C)c1 ZINC000490891700 332125064 /nfs/dbraw/zinc/12/50/64/332125064.db2.gz GNCJSADYMRDXER-UHFFFAOYSA-N 0 3 254.337 2.031 20 30 CEEDHN C#CCNC(=O)C1CCN(Cc2ccc(C)c(F)c2)CC1 ZINC000491066689 332144304 /nfs/dbraw/zinc/14/43/04/332144304.db2.gz DUJBHJZKIMJDJT-UHFFFAOYSA-N 0 3 288.366 2.096 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000491303582 332185600 /nfs/dbraw/zinc/18/56/00/332185600.db2.gz BOZLUOVOMWJPBR-UXLLHSPISA-N 0 3 299.418 2.313 20 30 CEEDHN C#C[C@H](NC1CCN(C(C)=O)CC1)c1ccc(F)cc1 ZINC000491350638 332195162 /nfs/dbraw/zinc/19/51/62/332195162.db2.gz OUSMFOTWTDQRLH-INIZCTEOSA-N 0 3 274.339 2.101 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000491440096 332211983 /nfs/dbraw/zinc/21/19/83/332211983.db2.gz NQAFUHJNZNBHBB-HNNXBMFYSA-N 0 3 299.418 2.098 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000491464778 332216878 /nfs/dbraw/zinc/21/68/78/332216878.db2.gz SXZXEPHKUKUNPG-GJZGRUSLSA-N 0 3 279.428 2.160 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000491473617 332217827 /nfs/dbraw/zinc/21/78/27/332217827.db2.gz GCMWTFFMCBDUAJ-CYBMUJFWSA-N 0 3 289.379 2.112 20 30 CEEDHN C#C[C@@H](NC[C@H](O)Cc1cccc(Cl)c1)C(C)C ZINC000491486462 332221010 /nfs/dbraw/zinc/22/10/10/332221010.db2.gz WIMVVUCQUXKKEC-HUUCEWRRSA-N 0 3 265.784 2.491 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000491514601 332226749 /nfs/dbraw/zinc/22/67/49/332226749.db2.gz JGBHJVQYFZVZED-OAHLLOKOSA-N 0 3 291.439 2.163 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1Cc2ccccc2C[C@H]1C ZINC000491514809 332227044 /nfs/dbraw/zinc/22/70/44/332227044.db2.gz KEMZQFSKVLHAQN-OAHLLOKOSA-N 0 3 299.418 2.098 20 30 CEEDHN C#CCN(C)CCCNC(=O)CC(C)(C)CCC ZINC000491535120 332231223 /nfs/dbraw/zinc/23/12/23/332231223.db2.gz AAUJDDQAFWKWQH-UHFFFAOYSA-N 0 3 252.402 2.274 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@]2(C)CCCC[C@@H]2C)CC1 ZINC000491535835 332231546 /nfs/dbraw/zinc/23/15/46/332231546.db2.gz GAWCXUZWTZUIOM-WMLDXEAASA-N 0 3 276.424 2.417 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000491636339 332257143 /nfs/dbraw/zinc/25/71/43/332257143.db2.gz VTEBGLASGVISTQ-HIFRSBDPSA-N 0 3 258.365 2.160 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000491636341 332257195 /nfs/dbraw/zinc/25/71/95/332257195.db2.gz VTEBGLASGVISTQ-UKRRQHHQSA-N 0 3 258.365 2.160 20 30 CEEDHN C#C[C@@H](NC(=O)[C@@H]1CCCN1CCC)c1ccc(F)cc1 ZINC000491688361 332286065 /nfs/dbraw/zinc/28/60/65/332286065.db2.gz AXLMXWGPRWJVDO-CVEARBPZSA-N 0 3 288.366 2.491 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cccc(SC)c1 ZINC000491734544 332315301 /nfs/dbraw/zinc/31/53/01/332315301.db2.gz OSNVDOPCUYYHPE-UHFFFAOYSA-N 0 3 276.405 2.093 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000491758984 332330932 /nfs/dbraw/zinc/33/09/32/332330932.db2.gz QIMQKEPWNCRYPH-VXGBXAGGSA-N 0 3 295.383 2.004 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000491764748 332333448 /nfs/dbraw/zinc/33/34/48/332333448.db2.gz DFJYZGZUFRVLSD-HRCADAONSA-N 0 3 291.439 2.162 20 30 CEEDHN C#C[C@@H](CC)N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000491805670 332359043 /nfs/dbraw/zinc/35/90/43/332359043.db2.gz PEULKIBMBVYEHM-RYUDHWBXSA-N 0 3 289.335 2.313 20 30 CEEDHN C#C[C@H](CC)N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000491805669 332359104 /nfs/dbraw/zinc/35/91/04/332359104.db2.gz PEULKIBMBVYEHM-NWDGAFQWSA-N 0 3 289.335 2.313 20 30 CEEDHN CN(C)C/C=C/C(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000491895173 332374200 /nfs/dbraw/zinc/37/42/00/332374200.db2.gz 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/nfs/dbraw/zinc/20/55/78/334205578.db2.gz NXNWOKSNRRDAJX-MGPQQGTHSA-N 0 3 299.374 2.082 20 30 CEEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000550141586 334214167 /nfs/dbraw/zinc/21/41/67/334214167.db2.gz DNXPGFVCYIZJFB-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](CC2CC2)C1 ZINC000550422663 334222134 /nfs/dbraw/zinc/22/21/34/334222134.db2.gz OEIXVNKXEDLTPZ-TZMCWYRMSA-N 0 3 275.396 2.059 20 30 CEEDHN C[C@@H]1C[C@H](C)CCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000246731794 334268536 /nfs/dbraw/zinc/26/85/36/334268536.db2.gz OUATXPBOUOEUTN-XJKCOSOUSA-N 0 3 277.412 2.163 20 30 CEEDHN CCN(CCCN(CC)C[C@H](C)C#N)C[C@@H](C)C#N ZINC000246866597 334270872 /nfs/dbraw/zinc/27/08/72/334270872.db2.gz DYKHHLVEMAVPRD-GASCZTMLSA-N 0 3 264.417 2.340 20 30 CEEDHN C[C@@H](C1CC1)N(CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000248892871 334321257 /nfs/dbraw/zinc/32/12/57/334321257.db2.gz FAPNWWPZDAITEW-MEDUHNTESA-N 0 3 275.396 2.058 20 30 CEEDHN CC(=O)c1ccc(NC(=O)[C@@H](N)CCCC#N)cc1C ZINC000567383760 334711263 /nfs/dbraw/zinc/71/12/63/334711263.db2.gz YNXBWOYOYGTAKX-AWEZNQCLSA-N 0 3 273.336 2.157 20 30 CEEDHN C=CC[C@H](CO)NCc1nc(C(C)C)n2ccccc12 ZINC000576523949 335214902 /nfs/dbraw/zinc/21/49/02/335214902.db2.gz MJSRUPZELZYTRZ-CYBMUJFWSA-N 0 3 273.380 2.484 20 30 CEEDHN C[C@@H](C#N)CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000176822014 335331984 /nfs/dbraw/zinc/33/19/84/335331984.db2.gz OPEBWXXKAOKRGB-NSHDSACASA-N 0 3 260.341 2.029 20 30 CEEDHN C=CCCCCCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000578882769 335684880 /nfs/dbraw/zinc/68/48/80/335684880.db2.gz NPDUYTMJDYNTQY-JJRVBVJISA-N 0 3 294.439 2.382 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](CC)[C@@H]1CCCO1 ZINC000182362381 335813347 /nfs/dbraw/zinc/81/33/47/335813347.db2.gz OBKKPTONHLVYPR-KKUMJFAQSA-N 0 3 282.428 2.347 20 30 CEEDHN CCC[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000581661563 336119649 /nfs/dbraw/zinc/11/96/49/336119649.db2.gz SFNGSLCYBUOCFM-MGPQQGTHSA-N 0 3 265.401 2.483 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)C1 ZINC000339047481 501030759 /nfs/dbraw/zinc/03/07/59/501030759.db2.gz QHVRPBOSULLDOW-LUYZLQTOSA-N 0 3 287.407 2.154 20 30 CEEDHN C[C@@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)N(C)C ZINC000412396825 533883763 /nfs/dbraw/zinc/88/37/63/533883763.db2.gz WHXBCFMPCQOSOF-ZDUSSCGKSA-N 0 3 287.407 2.193 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000347042366 534283156 /nfs/dbraw/zinc/28/31/56/534283156.db2.gz VAIPAVNXOYXOBI-VHDGCEQUSA-N 0 3 272.348 2.430 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000347119400 534284517 /nfs/dbraw/zinc/28/45/17/534284517.db2.gz WXDQUUQZKCDCKH-IUODEOHRSA-N 0 3 265.316 2.447 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1ncc(F)cn1 ZINC000269530621 517903212 /nfs/dbraw/zinc/90/32/12/517903212.db2.gz YLJIEYGBFDGNJI-UHFFFAOYSA-N 0 3 299.353 2.056 20 30 CEEDHN COC[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)C(C)C ZINC000544414579 518083024 /nfs/dbraw/zinc/08/30/24/518083024.db2.gz BEMHUVXQUSNCFH-SWLSCSKDSA-N 0 3 289.379 2.146 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)c1cccc(N2CCCC2)c1 ZINC000181869833 518893556 /nfs/dbraw/zinc/89/35/56/518893556.db2.gz ALKDOUDZTRQKBX-CQSZACIVSA-N 0 3 287.407 2.240 20 30 CEEDHN Cc1ccc2c(CCNC(=O)C(C)C#N)c[nH]c2c1 ZINC000347106578 534391199 /nfs/dbraw/zinc/39/11/99/534391199.db2.gz MFAOIFFTIBTNLB-NSHDSACASA-N 0 3 255.321 2.295 20 30 CEEDHN C=CC[C@@H](CO)NCc1cccc(Br)c1 ZINC000184264199 519105544 /nfs/dbraw/zinc/10/55/44/519105544.db2.gz WGEYGWBXGBSLSH-LBPRGKRZSA-N 0 3 270.170 2.476 20 30 CEEDHN CC[C@H](O)CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000363392392 522811799 /nfs/dbraw/zinc/81/17/99/522811799.db2.gz HLOHGXOQUIJPEW-AWEZNQCLSA-N 0 3 274.364 2.172 20 30 CEEDHN Cn1c2ccccc2cc(CN[C@H]2CC[C@H](C#N)C2)c1=O ZINC000335681745 534711369 /nfs/dbraw/zinc/71/13/69/534711369.db2.gz YQRIVZWFIDNOSE-WFASDCNBSA-N 0 3 281.359 2.320 20 30 CEEDHN CC[C@H](C)N1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000055066484 523955938 /nfs/dbraw/zinc/95/59/38/523955938.db2.gz BBGRDIRUTYWBPM-YOEHRIQHSA-N 0 3 287.407 2.008 20 30 CEEDHN C[C@H](CO)N1CCCN(c2cc(Cl)ccc2C#N)CC1 ZINC000364954652 524554982 /nfs/dbraw/zinc/55/49/82/524554982.db2.gz LOAMBXSDPQIIEB-GFCCVEGCSA-N 0 3 293.798 2.105 20 30 CEEDHN C[C@@H]1C[C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)CCN1C ZINC000157958124 525447743 /nfs/dbraw/zinc/44/77/43/525447743.db2.gz HDBOSFBFMYBFBD-ZWNOBZJWSA-N 0 3 274.324 2.361 20 30 CEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)C#N ZINC000347045112 526349918 /nfs/dbraw/zinc/34/99/18/526349918.db2.gz ZGWMYTCIQYFUEB-LLVKDONJSA-N 0 3 273.292 2.269 20 30 CEEDHN N#C[C@H]1CCC[C@@H]1NCCc1ccc2c(c1)OCCO2 ZINC000054823696 526513171 /nfs/dbraw/zinc/51/31/71/526513171.db2.gz SGFVPKOKZCBGGM-KGLIPLIRSA-N 0 3 272.348 2.282 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@]2(C)CCCOC2)CC1 ZINC000329159302 526577415 /nfs/dbraw/zinc/57/74/15/526577415.db2.gz XOCWCIRZLWQFCW-MRXNPFEDSA-N 0 3 295.427 2.100 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(O)c(C)c2)CC1 ZINC000354493039 526600293 /nfs/dbraw/zinc/60/02/93/526600293.db2.gz 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GEFNLMFVPUQOKE-BBRMVZONSA-N 0 3 259.349 2.356 20 30 CEEDHN C=CCC[C@H](NCCc1ncn(C)n1)c1ccco1 ZINC000353613656 527483656 /nfs/dbraw/zinc/48/36/56/527483656.db2.gz ORFVZZAUIBJFCZ-LBPRGKRZSA-N 0 3 260.341 2.248 20 30 CEEDHN C=C[C@@](C)(O)CC(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000354885118 527544648 /nfs/dbraw/zinc/54/46/48/527544648.db2.gz MYGBCRGJKKOXLJ-QGZVFWFLSA-N 0 3 294.439 2.108 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CC[C@](C)(CC)C1 ZINC000344238723 527611991 /nfs/dbraw/zinc/61/19/91/527611991.db2.gz PGLDFCNWTMCBAT-HNNXBMFYSA-N 0 3 250.386 2.309 20 30 CEEDHN CCCCCCCN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000367173297 528132583 /nfs/dbraw/zinc/13/25/83/528132583.db2.gz KZJGEUAWJRWBNB-OLZOCXBDSA-N 0 3 254.374 2.387 20 30 CEEDHN CCOc1cc2c(cc1CNC(=O)C(C)C#N)O[C@@H](C)C2 ZINC000347054365 528340905 /nfs/dbraw/zinc/34/09/05/528340905.db2.gz TWGNFGRVNQZEJH-MNOVXSKESA-N 0 3 288.347 2.185 20 30 CEEDHN CCOC(=O)C[C@H](NC(=O)C(C)C#N)c1ccc(F)cc1 ZINC000347031717 528899214 /nfs/dbraw/zinc/89/92/14/528899214.db2.gz 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JISBDZVVAZWGLI-CQSZACIVSA-N 0 3 298.342 2.464 20 30 CEEDHN C=CCN1CCC(NC(=S)NC2CCCCC2)CC1 ZINC000729941855 574496892 /nfs/dbraw/zinc/49/68/92/574496892.db2.gz FAUJGHZUGYXMAV-UHFFFAOYSA-N 0 3 281.469 2.434 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000754144648 574525585 /nfs/dbraw/zinc/52/55/85/574525585.db2.gz QTSTWMSXYYLEDT-NWDGAFQWSA-N 0 3 291.482 2.097 20 30 CEEDHN C#Cc1cccc(NC(=S)NC[C@@H]2CCCN(C)C2)c1 ZINC000730955279 574585204 /nfs/dbraw/zinc/58/52/04/574585204.db2.gz XFHGMHLLABHOKH-AWEZNQCLSA-N 0 3 287.432 2.296 20 30 CEEDHN C=CC[C@@H](NC(=O)NC1CCN(C)CC1)c1ccncc1 ZINC000734653219 574724004 /nfs/dbraw/zinc/72/40/04/574724004.db2.gz CJLVIRRXPYDXPF-OAHLLOKOSA-N 0 3 288.395 2.092 20 30 CEEDHN C=CC1CC[NH+](CCOc2ccccc2-c2nnn[n-]2)CC1 ZINC000735409007 574757297 /nfs/dbraw/zinc/75/72/97/574757297.db2.gz APVZWHOJMVZXBC-UHFFFAOYSA-N 0 3 299.378 2.144 20 30 CEEDHN C=CC1CC[NH+](CCOc2ccccc2-c2nn[n-]n2)CC1 ZINC000735409007 574757299 /nfs/dbraw/zinc/75/72/99/574757299.db2.gz 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/nfs/dbraw/zinc/46/14/19/624461419.db2.gz IBDLCFSROCLUFD-FZMZJTMJSA-N 0 3 288.347 2.066 20 30 CEEDHN C=CC[C@@H]1CCN1Cc1ccc(-n2ccnc2)nc1 ZINC000934460361 624509579 /nfs/dbraw/zinc/50/95/79/624509579.db2.gz LWVUUUWLXSQSSM-CQSZACIVSA-N 0 3 254.337 2.418 20 30 CEEDHN C#C[C@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000820411634 634400458 /nfs/dbraw/zinc/40/04/58/634400458.db2.gz GYQCKDGAAFLNFN-SMDDNHRTSA-N 0 3 293.798 2.264 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(C)nc2C)C1 ZINC001023121178 624940218 /nfs/dbraw/zinc/94/02/18/624940218.db2.gz GIORNYJBSQDERL-BETUJISGSA-N 0 3 293.798 2.301 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001023230542 624968868 /nfs/dbraw/zinc/96/88/68/624968868.db2.gz XLKSIRKCXRPTOK-OAHLLOKOSA-N 0 3 288.391 2.362 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccsc2C)C1 ZINC001023360912 624996894 /nfs/dbraw/zinc/99/68/94/624996894.db2.gz QKVAFYMPVHVTPQ-CYBMUJFWSA-N 0 3 276.405 2.132 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001023367146 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C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCC2 ZINC001018005158 627367562 /nfs/dbraw/zinc/36/75/62/627367562.db2.gz OYBYWJAETOWGOI-ZNMIVQPWSA-N 0 3 274.408 2.428 20 30 CEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)/C(C)=C\C ZINC001025220458 627384991 /nfs/dbraw/zinc/38/49/91/627384991.db2.gz FXUAFUMEUACJJJ-MUBWJSQFSA-N 0 3 274.408 2.431 20 30 CEEDHN CCOC(=O)/C=C\CN[C@@H](C)c1ccc(C#N)cc1 ZINC000311248435 627395681 /nfs/dbraw/zinc/39/56/81/627395681.db2.gz RJGWZFGNKBIVLO-RXNFCKPNSA-N 0 3 258.321 2.328 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C2CCCCC2)C1 ZINC001025318205 627629180 /nfs/dbraw/zinc/62/91/80/627629180.db2.gz XIMDCMWWEMRLQF-ZBFHGGJFSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C)o2)C1 ZINC001025334485 627639381 /nfs/dbraw/zinc/63/93/81/627639381.db2.gz JCSSFPHKFMQAIT-ZIAGYGMSSA-N 0 3 274.364 2.052 20 30 CEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cnccc2C)C1 ZINC001025373501 627663768 /nfs/dbraw/zinc/66/37/68/627663768.db2.gz BOEURCWYWAWXOF-HOTGVXAUSA-N 0 3 299.418 2.244 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c(C)coc2C)C1 ZINC001025410039 627681364 /nfs/dbraw/zinc/68/13/64/627681364.db2.gz XFXHUYQRTXCPMN-UKRRQHHQSA-N 0 3 288.391 2.360 20 30 CEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2occc2Cl)C1 ZINC001025524557 627732568 /nfs/dbraw/zinc/73/25/68/627732568.db2.gz UTVBQXDPANUFQN-RYUDHWBXSA-N 0 3 294.782 2.397 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001025530201 627739526 /nfs/dbraw/zinc/73/95/26/627739526.db2.gz HCDKCMDWLKXAJM-NWDGAFQWSA-N 0 3 293.798 2.132 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(C)c(Cl)c1 ZINC000328062923 627774756 /nfs/dbraw/zinc/77/47/56/627774756.db2.gz BXKDKEWUACRISU-UHFFFAOYSA-N 0 3 278.783 2.333 20 30 CEEDHN C=CC[C@@H](N[C@@H]1C[C@@H](OCC)[C@@H]1OC)c1ccncc1 ZINC000892972623 627909500 /nfs/dbraw/zinc/90/95/00/627909500.db2.gz JOVGPWKGEZLFMO-KLHDSHLOSA-N 0 3 276.380 2.481 20 30 CEEDHN C=CCCCN(CC)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000893019511 627947684 /nfs/dbraw/zinc/94/76/84/627947684.db2.gz UINBRCMFSUQREX-CYBMUJFWSA-N 0 3 265.401 2.221 20 30 CEEDHN CCN1C[C@@H](C)N(c2cc(C)cc(C#N)n2)C[C@@H]1C ZINC000893050302 627966331 /nfs/dbraw/zinc/96/63/31/627966331.db2.gz IZACMGSYKWWIMZ-QWHCGFSZSA-N 0 3 258.369 2.181 20 30 CEEDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2cccc(C#N)c2)[C@H]1OC ZINC000893076249 627983255 /nfs/dbraw/zinc/98/32/55/627983255.db2.gz AJEJLSWUIMVHFH-RAEVTNRLSA-N 0 3 274.364 2.401 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(C(C)(C)C)C1 ZINC001026152121 628053316 /nfs/dbraw/zinc/05/33/16/628053316.db2.gz YNBKLNJXINIIKF-QSCRHYGLSA-N 0 3 276.424 2.291 20 30 CEEDHN CCN(C[C@@H](C)C#N)CC1CCC2(CC1)OCCO2 ZINC000190205224 628327844 /nfs/dbraw/zinc/32/78/44/628327844.db2.gz IDEWBGUYFCFEQQ-ZDUSSCGKSA-N 0 3 266.385 2.401 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001008786864 628571186 /nfs/dbraw/zinc/57/11/86/628571186.db2.gz DGPFJZJZOVIQOC-LSDHHAIUSA-N 0 3 288.391 2.295 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001006701790 628610328 /nfs/dbraw/zinc/61/03/28/628610328.db2.gz FIWBOZNVAWQVTB-GJZGRUSLSA-N 0 3 262.397 2.499 20 30 CEEDHN Cn1cc(CN2CCC(CC#N)CC2)c(C2CC2)n1 ZINC000893487848 628649514 /nfs/dbraw/zinc/64/95/14/628649514.db2.gz QAYPJCVJUQWRBU-UHFFFAOYSA-N 0 3 258.369 2.423 20 30 CEEDHN N#CCC1CCN([C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893487194 628649586 /nfs/dbraw/zinc/64/95/86/628649586.db2.gz KWZPSCGBPPUBBR-ZIAGYGMSSA-N 0 3 282.359 2.246 20 30 CEEDHN CC(=O)NC1CCC(N(C)Cc2csc(C#N)c2)CC1 ZINC000893533750 628688736 /nfs/dbraw/zinc/68/87/36/628688736.db2.gz AEBGTWPZMVYUHV-UHFFFAOYSA-N 0 3 291.420 2.499 20 30 CEEDHN Cc1c(Cl)cnc(N2CC[C@H]3CN(C)C[C@@H]32)c1C#N ZINC000893938486 629053852 /nfs/dbraw/zinc/05/38/52/629053852.db2.gz DAUFVXHLEVMTJQ-GWCFXTLKSA-N 0 3 276.771 2.055 20 30 CEEDHN C#CCCCCCN(CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000877963393 629218678 /nfs/dbraw/zinc/21/86/78/629218678.db2.gz FOLWCLKYLUEARZ-CQSZACIVSA-N 0 3 271.426 2.079 20 30 CEEDHN CC(C)N1CC(N=Nc2ncccc2F)[C@H](C)C1 ZINC000794993756 629395734 /nfs/dbraw/zinc/39/57/34/629395734.db2.gz QHLFVWOZYATHOQ-SNVBAGLBSA-N 0 3 250.321 2.349 20 30 CEEDHN CC[C@H](C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000048540770 629399242 /nfs/dbraw/zinc/39/92/42/629399242.db2.gz IMSSRHDVRVIYHU-WCQYABFASA-N 0 3 258.321 2.058 20 30 CEEDHN CC(C)N1CC(N=Nc2cccc(F)n2)[C@H](C)C1 ZINC000795010258 629403144 /nfs/dbraw/zinc/40/31/44/629403144.db2.gz ZQNVEZIIINUGMI-SNVBAGLBSA-N 0 3 250.321 2.349 20 30 CEEDHN N#Cc1cc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)cs1 ZINC000894649973 629573583 /nfs/dbraw/zinc/57/35/83/629573583.db2.gz RYEROTXOEGZBOA-CABCVRRESA-N 0 3 292.404 2.029 20 30 CEEDHN N#CC[C@@H]1CC[C@H](NCc2cn(Cc3ccccc3)nn2)C1 ZINC000894695925 629594762 /nfs/dbraw/zinc/59/47/62/629594762.db2.gz RYBALCNMLFYAIY-HOCLYGCPSA-N 0 3 295.390 2.498 20 30 CEEDHN CCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000796634416 629952404 /nfs/dbraw/zinc/95/24/04/629952404.db2.gz SJGURPPYRMYCOC-QMMMGPOBSA-N 0 3 250.685 2.397 20 30 CEEDHN C=CCCCN(CC)CN1C[C@H]([C@@H]2CCCO2)CC1=O ZINC000902669682 634776930 /nfs/dbraw/zinc/77/69/30/634776930.db2.gz QCVDOCRVNAGVLM-CABCVRRESA-N 0 3 280.412 2.260 20 30 CEEDHN CC1(c2ccccc2)CC([NH2+][C@H]2CCCN([O-])C2=O)C1 ZINC000895158895 629974943 /nfs/dbraw/zinc/97/49/43/629974943.db2.gz QHFRQUWHUZUMTK-BBBYJDLNSA-N 0 3 274.364 2.077 20 30 CEEDHN O=C1[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CCCN1[O-] ZINC000895159048 629975942 /nfs/dbraw/zinc/97/59/42/629975942.db2.gz REOOYDLRNDLOPN-DBRPNBKGSA-N 0 3 296.317 2.181 20 30 CEEDHN CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895160288 629977275 /nfs/dbraw/zinc/97/72/75/629977275.db2.gz LYIZLUYMDKPJGI-FRRDWIJNSA-N 0 3 254.374 2.315 20 30 CEEDHN CC(C)CC(CC(C)C)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895161920 629980387 /nfs/dbraw/zinc/98/03/87/629980387.db2.gz VPPYZORLTMTVIB-ZDUSSCGKSA-N 0 3 256.390 2.417 20 30 CEEDHN C[C@H](CCc1ccccc1F)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895162297 629982131 /nfs/dbraw/zinc/98/21/31/629982131.db2.gz YEEWYGGASBPTDJ-RISCZKNCSA-N 0 3 280.343 2.117 20 30 CEEDHN COc1ccc(CNCCc2ccc(C#N)cc2)o1 ZINC000895308983 630098271 /nfs/dbraw/zinc/09/82/71/630098271.db2.gz FVEMVTWTMSNEEO-UHFFFAOYSA-N 0 3 256.305 2.492 20 30 CEEDHN CC1=NO[C@@H](CNCc2ccc(N(C)CCC#N)cc2)C1 ZINC000895311423 630100588 /nfs/dbraw/zinc/10/05/88/630100588.db2.gz PTZFWHVEHDXDGE-MRXNPFEDSA-N 0 3 286.379 2.291 20 30 CEEDHN C#CC1(O)CCN(C/C=C\c2cccc(F)c2)CC1 ZINC000895386309 630158767 /nfs/dbraw/zinc/15/87/67/630158767.db2.gz XGTAOYKITRMRFE-XQRVVYSFSA-N 0 3 259.324 2.299 20 30 CEEDHN CCNC(=O)[C@H](C)N[C@H](CC)c1cccc(C#N)c1 ZINC000902726986 634797263 /nfs/dbraw/zinc/79/72/63/634797263.db2.gz VTENDVLMTZWFPY-SMDDNHRTSA-N 0 3 259.353 2.124 20 30 CEEDHN CC1(C)CC[C@@H](CNCc2cccc(C#N)n2)OC1 ZINC000895528937 630235546 /nfs/dbraw/zinc/23/55/46/630235546.db2.gz CHQFLLPVFUXQCA-AWEZNQCLSA-N 0 3 259.353 2.248 20 30 CEEDHN FC(F)CN1CCC[C@H]1CNCC#Cc1ccccc1 ZINC000895575135 630255022 /nfs/dbraw/zinc/25/50/22/630255022.db2.gz YFRANKIFZXHGOI-HNNXBMFYSA-N 0 3 278.346 2.357 20 30 CEEDHN C#CCC1(O)CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000895675421 630296124 /nfs/dbraw/zinc/29/61/24/630296124.db2.gz OHHKFQOPZNQLRQ-UHFFFAOYSA-N 0 3 290.382 2.242 20 30 CEEDHN C#CC[C@H](COC)NCc1cc(C)nc2c1CCCC2 ZINC000895672888 630300312 /nfs/dbraw/zinc/30/03/12/630300312.db2.gz YZPPWULZIBKDGQ-OAHLLOKOSA-N 0 3 272.392 2.397 20 30 CEEDHN C(#Cc1ccccc1)CN[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000895745117 630322325 /nfs/dbraw/zinc/32/23/25/630322325.db2.gz MOXXUNWUJFAOFN-SMLCLMEVSA-N 0 3 253.345 2.051 20 30 CEEDHN C[C@H]1[C@H](Nc2nc3ncccc3cc2C#N)CCN1C ZINC000895736992 630326707 /nfs/dbraw/zinc/32/67/07/630326707.db2.gz MQKXYKOQUIHZJE-GXFFZTMASA-N 0 3 267.336 2.006 20 30 CEEDHN CC(=O)N(C)CC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797569888 630335600 /nfs/dbraw/zinc/33/56/00/630335600.db2.gz YZVHOAOFVIKRDF-JTQLQIEISA-N 0 3 293.392 2.095 20 30 CEEDHN COc1nccc(CN[C@@H]2Cc3ccc(C#N)cc3C2)c1F ZINC000895861714 630372842 /nfs/dbraw/zinc/37/28/42/630372842.db2.gz RPEMPYNRBDYSGV-OAHLLOKOSA-N 0 3 297.333 2.358 20 30 CEEDHN C[C@@H](NC[C@H](CO)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902762256 634816234 /nfs/dbraw/zinc/81/62/34/634816234.db2.gz JTZIGFMTZUNYQG-RHSMWYFYSA-N 0 3 295.386 2.455 20 30 CEEDHN C[C@H](CCC#N)CNCc1cn(C)nc1Br ZINC000896282618 630518088 /nfs/dbraw/zinc/51/80/88/630518088.db2.gz RCNIGFBLKXRJGZ-SECBINFHSA-N 0 3 285.189 2.212 20 30 CEEDHN C[C@@H](CCC#N)CNCc1cn(C)nc1Br ZINC000896282619 630518273 /nfs/dbraw/zinc/51/82/73/630518273.db2.gz RCNIGFBLKXRJGZ-VIFPVBQESA-N 0 3 285.189 2.212 20 30 CEEDHN CCN1CCCN(C(=O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000320282974 630606125 /nfs/dbraw/zinc/60/61/25/630606125.db2.gz WZDIZCOEKHRUAA-CYBMUJFWSA-N 0 3 271.364 2.115 20 30 CEEDHN C=C1CCC(CNC(=O)N(C)[C@H]2CCCN(C)C2)CC1 ZINC000896665195 630632384 /nfs/dbraw/zinc/63/23/84/630632384.db2.gz GRXYDBQFFBDZPB-HNNXBMFYSA-N 0 3 279.428 2.468 20 30 CEEDHN C#CCOc1ccccc1CN1CC[C@H](C(=O)OCC)C1 ZINC000896963018 630847205 /nfs/dbraw/zinc/84/72/05/630847205.db2.gz MGNAIMVRNHTFGL-HNNXBMFYSA-N 0 3 287.359 2.084 20 30 CEEDHN C#CCC[C@@H](O)CNc1ccnc2ccc(C)cc21 ZINC000798419301 630869057 /nfs/dbraw/zinc/86/90/57/630869057.db2.gz GYKKKPIFXYNBMN-CYBMUJFWSA-N 0 3 254.333 2.151 20 30 CEEDHN CC#CCN(C)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000897169592 630972632 /nfs/dbraw/zinc/97/26/32/630972632.db2.gz QPQISEUWGUFSQS-BBRMVZONSA-N 0 3 278.396 2.199 20 30 CEEDHN C#CCN(Cc1cc(OC)c(O)c(OC)c1)C(C)C ZINC000897171018 630973266 /nfs/dbraw/zinc/97/32/66/630973266.db2.gz OEDKBSXOTWCVGP-UHFFFAOYSA-N 0 3 263.337 2.253 20 30 CEEDHN N#Cc1ccc(CN[C@H](CCO)Cc2ccccc2)o1 ZINC000799350979 631018602 /nfs/dbraw/zinc/01/86/02/631018602.db2.gz ZHPGSXFROMJAAU-CQSZACIVSA-N 0 3 270.332 2.235 20 30 CEEDHN Cc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1C#N ZINC000799686807 631062920 /nfs/dbraw/zinc/06/29/20/631062920.db2.gz ZEAQYNLGALYXQT-LRDDRELGSA-N 0 3 283.375 2.079 20 30 CEEDHN C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC000985984132 631198868 /nfs/dbraw/zinc/19/88/68/631198868.db2.gz ICSJVBJEQVHJEF-TZMCWYRMSA-N 0 3 274.364 2.161 20 30 CEEDHN Cc1ccc(OCCN(C)CCO[C@@H](C)C#N)cc1 ZINC000801912036 631351728 /nfs/dbraw/zinc/35/17/28/631351728.db2.gz YDFMENLZOQTTNM-AWEZNQCLSA-N 0 3 262.353 2.234 20 30 CEEDHN CC(C)CCOC1CCN(CCO[C@@H](C)C#N)CC1 ZINC000801915033 631353340 /nfs/dbraw/zinc/35/33/40/631353340.db2.gz NGFAOKMTSSIKQQ-AWEZNQCLSA-N 0 3 268.401 2.442 20 30 CEEDHN C[C@H](C#N)OCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000801917905 631353539 /nfs/dbraw/zinc/35/35/39/631353539.db2.gz BIQWBMWKOLBSCV-CQSZACIVSA-N 0 3 299.374 2.330 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC(OC(C)(C)C)CC1 ZINC000801926245 631357858 /nfs/dbraw/zinc/35/78/58/631357858.db2.gz BVMHSFHUMNOSNB-LBPRGKRZSA-N 0 3 254.374 2.195 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC[C@@H]1c1ccc(O)cc1 ZINC000801930508 631359275 /nfs/dbraw/zinc/35/92/75/631359275.db2.gz QTZBJNRYYGGCMZ-SWLSCSKDSA-N 0 3 260.337 2.458 20 30 CEEDHN C[C@@H](C#N)OCCN(CCCO)Cc1cccc(Cl)c1 ZINC000801935124 631360538 /nfs/dbraw/zinc/36/05/38/631360538.db2.gz WIHMDZAXZFEKMC-ZDUSSCGKSA-N 0 3 296.798 2.453 20 30 CEEDHN C=CCN1CCN(CN(C)C2CCC(C)CC2)C1=O ZINC000839965060 631427589 /nfs/dbraw/zinc/42/75/89/631427589.db2.gz RHYALBAZKXORAR-UHFFFAOYSA-N 0 3 265.401 2.378 20 30 CEEDHN CCCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC000987778608 631454403 /nfs/dbraw/zinc/45/44/03/631454403.db2.gz JRWFQXJWNQLYQI-VXGBXAGGSA-N 0 3 291.420 2.499 20 30 CEEDHN CCCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC000987778604 631454908 /nfs/dbraw/zinc/45/49/08/631454908.db2.gz JRWFQXJWNQLYQI-RYUDHWBXSA-N 0 3 291.420 2.499 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)C=C2CCCCC2)C1 ZINC000988284952 631492465 /nfs/dbraw/zinc/49/24/65/631492465.db2.gz XFIVMYVGDDIAFH-HIFRSBDPSA-N 0 3 260.381 2.089 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CC(C)(C)C2CC2)C1 ZINC000988783352 631693471 /nfs/dbraw/zinc/69/34/71/631693471.db2.gz QDKJBTHEQRVTOU-GXTWGEPZSA-N 0 3 262.397 2.025 20 30 CEEDHN C#CCCCNc1nc(NCC)nc(NC(C)(C)C)n1 ZINC000804517931 631698508 /nfs/dbraw/zinc/69/85/08/631698508.db2.gz ZWBMOXWHAZACLC-UHFFFAOYSA-N 0 3 276.388 2.339 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cscc2Cl)C1 ZINC000989008432 631715509 /nfs/dbraw/zinc/71/55/09/631715509.db2.gz SVUHWFBOIZIRDO-VHSXEESVSA-N 0 3 282.796 2.227 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccn(C(C)C)c2C)C1 ZINC000989329693 631777176 /nfs/dbraw/zinc/77/71/76/631777176.db2.gz PTYFLQKHVRRHJC-ZFWWWQNUSA-N 0 3 287.407 2.203 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccn(C(C)C)c2C)C1 ZINC000989329675 631777285 /nfs/dbraw/zinc/77/72/85/631777285.db2.gz PTYFLQKHVRRHJC-DZGCQCFKSA-N 0 3 287.407 2.203 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CC2CC(C)(C)C2)C1 ZINC000989339307 631780619 /nfs/dbraw/zinc/78/06/19/631780619.db2.gz SRSGGVPCNXEBGE-TZMCWYRMSA-N 0 3 262.397 2.025 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3ncccc3c2)C1 ZINC000989378766 631801496 /nfs/dbraw/zinc/80/14/96/631801496.db2.gz CMTKQKFUZZRJHL-BBRMVZONSA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(CCC)cc2)C1 ZINC000989380101 631804570 /nfs/dbraw/zinc/80/45/70/631804570.db2.gz BBBJZMZHYIUBRC-RHSMWYFYSA-N 0 3 284.403 2.465 20 30 CEEDHN COC(=O)C[C@@H](NCc1cccc(C#N)n1)C(C)(C)C ZINC000897887974 631962013 /nfs/dbraw/zinc/96/20/13/631962013.db2.gz YFDYRVMRJYSYSB-CYBMUJFWSA-N 0 3 275.352 2.021 20 30 CEEDHN C[C@H](C#N)OCCN(C)Cc1ccccc1N(C)C ZINC000808785928 632017011 /nfs/dbraw/zinc/01/70/11/632017011.db2.gz ZSOBMBCFOZVLTR-CYBMUJFWSA-N 0 3 261.369 2.113 20 30 CEEDHN COCCOCCN(C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809789914 632146448 /nfs/dbraw/zinc/14/64/48/632146448.db2.gz NEMLWTZDSRHLCV-AWEZNQCLSA-N 0 3 292.379 2.072 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2csc(Cl)c2)C1 ZINC000989519193 632198728 /nfs/dbraw/zinc/19/87/28/632198728.db2.gz KHUCYIRZIZLDCJ-GXSJLCMTSA-N 0 3 282.796 2.227 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2ccc(Cl)s2)C1 ZINC000989532975 632201398 /nfs/dbraw/zinc/20/13/98/632201398.db2.gz KTNYYOZQVARWPC-MNOVXSKESA-N 0 3 296.823 2.156 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3scnc3c2)C1 ZINC000989635310 632215493 /nfs/dbraw/zinc/21/54/93/632215493.db2.gz LPORIWMZSSIAKE-YPMHNXCESA-N 0 3 299.399 2.122 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC000989686291 632224459 /nfs/dbraw/zinc/22/44/59/632224459.db2.gz MVKQREMTFCKXKS-KDOFPFPSSA-N 0 3 294.398 2.472 20 30 CEEDHN C#CCCN1CCCN(C(=O)CC(C2CC2)C2CC2)CC1 ZINC000989747309 632233645 /nfs/dbraw/zinc/23/36/45/632233645.db2.gz LJEVUQCLMCOBTE-UHFFFAOYSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCc2ccc(CC)cc2)C1 ZINC000989787386 632243272 /nfs/dbraw/zinc/24/32/72/632243272.db2.gz YCLMJBYEWAQACD-MAUKXSAKSA-N 0 3 298.430 2.394 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2sccc2CC)C1 ZINC000989823076 632250689 /nfs/dbraw/zinc/25/06/89/632250689.db2.gz RHYLKOUIPRJWOD-WCQYABFASA-N 0 3 276.405 2.136 20 30 CEEDHN CC(=O)N[C@@]12CCC[C@@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC000989869436 632259145 /nfs/dbraw/zinc/25/91/45/632259145.db2.gz AZXCYWUSUWOBLG-DLBZAZTESA-N 0 3 283.375 2.191 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)C3CCCC3)CCC[C@H]12 ZINC000989897343 632274619 /nfs/dbraw/zinc/27/46/19/632274619.db2.gz RNMGBVKYUMOCLY-HOCLYGCPSA-N 0 3 262.397 2.476 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3CC=CCC3)CCC[C@H]12 ZINC000989944343 632286913 /nfs/dbraw/zinc/28/69/13/632286913.db2.gz BHOJMOABQKAYBI-HLLBOEOZSA-N 0 3 272.392 2.089 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)C3CC=CC3)CCC[C@H]12 ZINC000990096957 632310375 /nfs/dbraw/zinc/31/03/75/632310375.db2.gz QAHVMRUXDGZDBC-DOTOQJQBSA-N 0 3 272.392 2.089 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H]3CC3(C)C)CCC[C@H]12 ZINC000990276110 632333365 /nfs/dbraw/zinc/33/33/65/632333365.db2.gz KOPKRXNFBZGFGL-JKIFEVAISA-N 0 3 274.408 2.169 20 30 CEEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1cnn(C)n1)C(C)C ZINC000924642834 632383567 /nfs/dbraw/zinc/38/35/67/632383567.db2.gz JEACZBGIHBZSLU-HOCLYGCPSA-N 0 3 291.443 2.164 20 30 CEEDHN C#CCOc1ccccc1CN[C@H]1COC[C@@H]1C1CC1 ZINC000898388876 632478521 /nfs/dbraw/zinc/47/85/21/632478521.db2.gz WDAVRYJBZQNIBN-CVEARBPZSA-N 0 3 271.360 2.213 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000812350387 632516789 /nfs/dbraw/zinc/51/67/89/632516789.db2.gz NSHFKXDVAINSBR-AVGNSLFASA-N 0 3 277.368 2.030 20 30 CEEDHN C#CCN1CCC(Cc2ccccc2C(=O)OC)CC1 ZINC000812846606 632593040 /nfs/dbraw/zinc/59/30/40/632593040.db2.gz YBYNYZAQHYOGLR-UHFFFAOYSA-N 0 3 271.360 2.361 20 30 CEEDHN C=CCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813109360 632626773 /nfs/dbraw/zinc/62/67/73/632626773.db2.gz JCIWGYCFASVJHD-SNVBAGLBSA-N 0 3 295.291 2.082 20 30 CEEDHN CCO[C@@H](C/N=C/c1cc(Cl)ccc1[O-])C[NH+](C)C ZINC000899226375 632742053 /nfs/dbraw/zinc/74/20/53/632742053.db2.gz QOVYZXZXDMMVST-MJOIQJIUSA-N 0 3 284.787 2.431 20 30 CEEDHN CC1/C(=C/c2ccnn2C2CCC2)C(=O)c2ncnn21 ZINC000899380809 632821907 /nfs/dbraw/zinc/82/19/07/632821907.db2.gz LDQOIWZHICNEDU-JBBGTMGVSA-N 0 3 269.308 2.041 20 30 CEEDHN CCc1ccc(C#CC(=O)NCCN2CCC[C@H](C)C2)cc1 ZINC000814507374 632851343 /nfs/dbraw/zinc/85/13/43/632851343.db2.gz SRRORERJWDIERB-INIZCTEOSA-N 0 3 298.430 2.449 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)CCC[C@H]12 ZINC000990786224 632861073 /nfs/dbraw/zinc/86/10/73/632861073.db2.gz BFDNEAWDMAQARX-OYNZLANYSA-N 0 3 298.430 2.335 20 30 CEEDHN N#CCCC[C@@H](NCC1OCCO1)c1ccccc1 ZINC000814660701 632875990 /nfs/dbraw/zinc/87/59/90/632875990.db2.gz ZFJZCQQAUBXCDF-CQSZACIVSA-N 0 3 260.337 2.384 20 30 CEEDHN CCCC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccccn1 ZINC000814886002 632913917 /nfs/dbraw/zinc/91/39/17/632913917.db2.gz ONGNMJXZKANZRB-ZIAGYGMSSA-N 0 3 285.395 2.446 20 30 CEEDHN CCc1ccc(C#CC(=O)N(C)CCN2CCCC2)cc1 ZINC000815391138 633008099 /nfs/dbraw/zinc/00/80/99/633008099.db2.gz KFIFKVRLTWJSOY-UHFFFAOYSA-N 0 3 284.403 2.155 20 30 CEEDHN C#CCCCN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000815585115 633034884 /nfs/dbraw/zinc/03/48/84/633034884.db2.gz YPTVBMCJVAKBJI-CYBMUJFWSA-N 0 3 258.300 2.036 20 30 CEEDHN C[C@H](C#N)OCCN1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000817279707 633617998 /nfs/dbraw/zinc/61/79/98/633617998.db2.gz SYBNQQFRYHITTE-MCIONIFRSA-N 0 3 296.411 2.357 20 30 CEEDHN C#CCN(C(=O)CN(C)C1CCC1)C1CCCCC1 ZINC000900413156 633709059 /nfs/dbraw/zinc/70/90/59/633709059.db2.gz QNOPWEBJPTVCSU-UHFFFAOYSA-N 0 3 262.397 2.265 20 30 CEEDHN C[C@H]1CN(C(=O)[C@@H](N)CCCC#N)Cc2ccccc21 ZINC000818048985 633849626 /nfs/dbraw/zinc/84/96/26/633849626.db2.gz YQAVUBPWBICKNS-WFASDCNBSA-N 0 3 271.364 2.153 20 30 CEEDHN CC[C@](C)(NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000818115656 633872218 /nfs/dbraw/zinc/87/22/18/633872218.db2.gz QEQOGLLZHXXDIJ-ZBFHGGJFSA-N 0 3 273.380 2.449 20 30 CEEDHN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)[C@@H](N)CCCC#N ZINC000818123604 633872436 /nfs/dbraw/zinc/87/24/36/633872436.db2.gz GFPNBVMIYJYMSB-STQMWFEESA-N 0 3 287.363 2.130 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(C)CCCCCC1 ZINC000818584738 633951762 /nfs/dbraw/zinc/95/17/62/633951762.db2.gz WPSTWGWDGSYQMN-UHFFFAOYSA-N 0 3 264.413 2.418 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@H]1CCc2ccccc21 ZINC000818596009 633955156 /nfs/dbraw/zinc/95/51/56/633955156.db2.gz YUDHXWRJYFFDFD-MRXNPFEDSA-N 0 3 284.403 2.178 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C(F)=C\C1CCCCC1 ZINC000818602769 633956422 /nfs/dbraw/zinc/95/64/22/633956422.db2.gz CXDHYHMVGIIGBX-FYWRMAATSA-N 0 3 280.387 2.491 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C(C)=C\c1ccc(F)cc1 ZINC000818599296 633956667 /nfs/dbraw/zinc/95/66/67/633956667.db2.gz IAEUQOBXMXRARY-YPKPFQOOSA-N 0 3 288.366 2.300 20 30 CEEDHN Nc1ccc2c(c1)CCCC2=NN[C@@H]1CCCC[C@H]1O ZINC000901333874 634050191 /nfs/dbraw/zinc/05/01/91/634050191.db2.gz DLBAHIRGASSHJU-HZPDHXFCSA-N 0 3 273.380 2.202 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000819198404 634102499 /nfs/dbraw/zinc/10/24/99/634102499.db2.gz RKZOCOMILXLAAL-NDBYEHHHSA-N 0 3 281.450 2.399 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(c2ccc(C)cc2)CCC1 ZINC000819543429 634212112 /nfs/dbraw/zinc/21/21/12/634212112.db2.gz DREYMAZJEGXQTH-UHFFFAOYSA-N 0 3 298.430 2.488 20 30 CEEDHN CCCCCCN(C)CC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000819631990 634231018 /nfs/dbraw/zinc/23/10/18/634231018.db2.gz JXYMARRAPZTGIO-UONOGXRCSA-N 0 3 265.401 2.307 20 30 CEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)C(F)=C1CCC1 ZINC000819952318 634297322 /nfs/dbraw/zinc/29/73/22/634297322.db2.gz OZRPRMCRIAFLGF-JTQLQIEISA-N 0 3 273.267 2.136 20 30 CEEDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Nc1cccc(C#N)c1 ZINC000902826822 634844319 /nfs/dbraw/zinc/84/43/19/634844319.db2.gz XACTVMYFNFGQRU-LSDHHAIUSA-N 0 3 284.363 2.259 20 30 CEEDHN C[C@@H](N[C@H]1CCN(c2ccccn2)C1)c1cc(C#N)ccn1 ZINC000902888219 634880415 /nfs/dbraw/zinc/88/04/15/634880415.db2.gz QYGJTFULRHJYAS-HIFRSBDPSA-N 0 3 293.374 2.278 20 30 CEEDHN C#CCN(C(=O)Nc1cccc(C#N)c1)C1CCN(C)CC1 ZINC000902985770 634919734 /nfs/dbraw/zinc/91/97/34/634919734.db2.gz NQMQHSBJDOOZHX-UHFFFAOYSA-N 0 3 296.374 2.120 20 30 CEEDHN CC[C@H](N[C@@H]1CC(=O)N(CC)C1)c1cccc(C#N)c1 ZINC000903007981 634936642 /nfs/dbraw/zinc/93/66/42/634936642.db2.gz JMYKQVSUSLRTLV-CABCVRRESA-N 0 3 271.364 2.220 20 30 CEEDHN C[C@H](NCCC1(CO)CCC1)c1cc(C#N)ccn1 ZINC000903042699 634943331 /nfs/dbraw/zinc/94/33/31/634943331.db2.gz ZCNPAIRUAHATTK-LBPRGKRZSA-N 0 3 259.353 2.157 20 30 CEEDHN CC(C)CC[C@H](CO)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903063240 634951805 /nfs/dbraw/zinc/95/18/05/634951805.db2.gz ASXACRRFHHPIJB-GXTWGEPZSA-N 0 3 261.369 2.401 20 30 CEEDHN CC[C@@H](NC1CN(c2ccncn2)C1)c1cccc(C#N)c1 ZINC000903078430 634958764 /nfs/dbraw/zinc/95/87/64/634958764.db2.gz WYDJOQFTMQWXKI-MRXNPFEDSA-N 0 3 293.374 2.278 20 30 CEEDHN C[C@H](NCCc1ccns1)c1cc(C#N)ccn1 ZINC000903087099 634962771 /nfs/dbraw/zinc/96/27/71/634962771.db2.gz JWZHFXMOMYZBHQ-JTQLQIEISA-N 0 3 258.350 2.303 20 30 CEEDHN C[C@H](C#N)Oc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905079674 635796675 /nfs/dbraw/zinc/79/66/75/635796675.db2.gz DNBHBQBIXHQOBW-ZFTSSPOQSA-N 0 3 294.314 2.410 20 30 CEEDHN COc1ccc(/C=C2\C(=O)c3ncnn3C2C)c(C)c1OC ZINC000905083185 635798195 /nfs/dbraw/zinc/79/81/95/635798195.db2.gz CNAIKKVLFAVPCF-BZPKPHBRSA-N 0 3 299.330 2.445 20 30 CEEDHN COc1cccc(C)c1/C=C1/C(=O)c2ncnn2C1C ZINC000905083397 635798750 /nfs/dbraw/zinc/79/87/50/635798750.db2.gz CUCFAEHSJYDCFH-CEXMDJMXSA-N 0 3 269.304 2.436 20 30 CEEDHN CC1/C(=C/c2ccc(N(C)C)cc2)C(=O)c2ncnn21 ZINC000905083114 635798809 /nfs/dbraw/zinc/79/88/09/635798809.db2.gz YYHANBCTWKNBLM-GARZTLJTSA-N 0 3 268.320 2.185 20 30 CEEDHN CCCn1nc(C)c(/C=C2/C(=O)c3ncnn3C2C)c1C ZINC000905084748 635799141 /nfs/dbraw/zinc/79/91/41/635799141.db2.gz KYWGRHVQMXEKTI-DELQEKLWSA-N 0 3 285.351 2.342 20 30 CEEDHN Cc1nn(C(C)C)cc1/C=C1/C(=O)c2ncnn2C1C ZINC000905085607 635799268 /nfs/dbraw/zinc/79/92/68/635799268.db2.gz OSDBWNHAXXXDRB-STCRIKGOSA-N 0 3 271.324 2.205 20 30 CEEDHN C=CCOc1ccccc1CNC[C@@H](O)C1(O)CCCC1 ZINC000905104201 635816727 /nfs/dbraw/zinc/81/67/27/635816727.db2.gz NOMLMJAFEXOGOO-MRXNPFEDSA-N 0 3 291.391 2.007 20 30 CEEDHN CC(C)C#CC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000827184738 636248617 /nfs/dbraw/zinc/24/86/17/636248617.db2.gz GVBKQOOKYQYDMW-HNNXBMFYSA-N 0 3 272.392 2.283 20 30 CEEDHN C#C[C@H](NCC1=Cc2ccccc2OC1)C1CCOCC1 ZINC000827569705 636356639 /nfs/dbraw/zinc/35/66/39/636356639.db2.gz DGQSPKHHHDWHNY-KRWDZBQOSA-N 0 3 283.371 2.480 20 30 CEEDHN C#C[C@@H](NCC1=Cc2ccccc2OC1)C1CCOCC1 ZINC000827569706 636356853 /nfs/dbraw/zinc/35/68/53/636356853.db2.gz DGQSPKHHHDWHNY-QGZVFWFLSA-N 0 3 283.371 2.480 20 30 CEEDHN N#Cc1cncc(Cn2cc(CNC3CCCCC3)nn2)c1 ZINC000905838718 636479928 /nfs/dbraw/zinc/47/99/28/636479928.db2.gz SVGFMNAMZZIFBF-UHFFFAOYSA-N 0 3 296.378 2.015 20 30 CEEDHN CN1CCCc2cc(NC(=O)[C@@H](N)CCCC#N)ccc21 ZINC000829162298 636792398 /nfs/dbraw/zinc/79/23/98/636792398.db2.gz HPHBECKHBIAEPG-AWEZNQCLSA-N 0 3 286.379 2.029 20 30 CEEDHN Cc1cc(C(=O)N(C)[C@@H]2CN3CCC2CC3)cc(C)c1C#N ZINC000906648640 636810346 /nfs/dbraw/zinc/81/03/46/636810346.db2.gz UQXQQFKSSUMYPD-QGZVFWFLSA-N 0 3 297.402 2.341 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)N(CCC)CCC)C1 ZINC000829768666 636925293 /nfs/dbraw/zinc/92/52/93/636925293.db2.gz IEBDKJKDNIESHL-OAHLLOKOSA-N 0 3 264.413 2.370 20 30 CEEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)NC2CCCC2)C1 ZINC000829775189 636928089 /nfs/dbraw/zinc/92/80/89/636928089.db2.gz YYWUNJSUKWODLT-KBPBESRZSA-N 0 3 262.397 2.169 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC[C@H](c2ccncc2)C1 ZINC000829824255 636939714 /nfs/dbraw/zinc/93/97/14/636939714.db2.gz MQCJBMUHPSBOFX-ZFWWWQNUSA-N 0 3 259.353 2.190 20 30 CEEDHN C#CCCCCCCN(C)CC(=O)N(CC)CC ZINC000876511493 650296916 /nfs/dbraw/zinc/29/69/16/650296916.db2.gz KFVHXHZMIAGEAC-UHFFFAOYSA-N 0 3 252.402 2.370 20 30 CEEDHN C#CC1CCN([C@H](C)C(=O)N[C@@H](C)CCC)CC1 ZINC000830316077 637034088 /nfs/dbraw/zinc/03/40/88/637034088.db2.gz DAOQDHGXEPZDGY-QWHCGFSZSA-N 0 3 250.386 2.025 20 30 CEEDHN C#CC1CCN(C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000830350661 637045516 /nfs/dbraw/zinc/04/55/16/637045516.db2.gz FNIADFPVCJGLSZ-MRXNPFEDSA-N 0 3 290.407 2.485 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCC)cc1 ZINC000876544950 650315350 /nfs/dbraw/zinc/31/53/50/650315350.db2.gz CNVVSYMFVUYDJW-LBPRGKRZSA-N 0 3 268.744 2.494 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000876550036 650320406 /nfs/dbraw/zinc/32/04/06/650320406.db2.gz NAAIDORDYCATLK-SECBINFHSA-N 0 3 283.715 2.312 20 30 CEEDHN C#CCCCC(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908571554 637412956 /nfs/dbraw/zinc/41/29/56/637412956.db2.gz XOCAZPDLDXMACN-UHFFFAOYSA-N 0 3 262.397 2.267 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000876593177 650349960 /nfs/dbraw/zinc/34/99/60/650349960.db2.gz NFMXNVRUBYGTQN-JTQLQIEISA-N 0 3 290.697 2.382 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccc(C)cc1C ZINC000876608261 650356978 /nfs/dbraw/zinc/35/69/78/650356978.db2.gz DIFLRGGUZCDDSH-AWEZNQCLSA-N 0 3 280.799 2.432 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCc2c1cccc2OC ZINC000876645921 650374040 /nfs/dbraw/zinc/37/40/40/650374040.db2.gz PYMDHGKFKQVBTL-STQMWFEESA-N 0 3 294.782 2.269 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(F)cc(F)c1OC ZINC000876648287 650374898 /nfs/dbraw/zinc/37/48/98/650374898.db2.gz PRDVHFPICTWXSG-VIFPVBQESA-N 0 3 290.697 2.382 20 30 CEEDHN COCCN(C)N=C/C=C/c1ccc(N(C)C)cc1 ZINC000834977543 638007801 /nfs/dbraw/zinc/00/78/01/638007801.db2.gz NBPRLLRZRBCBPX-IQYABZLSSA-N 0 3 261.369 2.330 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(OC)ccc1F ZINC000876665939 650388508 /nfs/dbraw/zinc/38/85/08/650388508.db2.gz KITBTIVREQGAON-JTQLQIEISA-N 0 3 272.707 2.243 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)N(CC)CC2 ZINC000876749766 650418840 /nfs/dbraw/zinc/41/88/40/650418840.db2.gz QJKCDFUETNHUFK-CYBMUJFWSA-N 0 3 293.798 2.477 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)c1ccncc1 ZINC000876762287 650423683 /nfs/dbraw/zinc/42/36/83/650423683.db2.gz FFMAWJRGDDIGFV-RYUDHWBXSA-N 0 3 267.760 2.119 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1ccccc1F ZINC000911989524 638509453 /nfs/dbraw/zinc/50/94/53/638509453.db2.gz IOMPWXCWUQLEGD-ZDUSSCGKSA-N 0 3 250.317 2.126 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1nc(C)cs1)C1CC1 ZINC000876772659 650427470 /nfs/dbraw/zinc/42/74/70/650427470.db2.gz PWHSKHHBDYWSTJ-GHMZBOCLSA-N 0 3 299.827 2.489 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCC[C@H](C)CC1 ZINC000836490398 638647745 /nfs/dbraw/zinc/64/77/45/638647745.db2.gz YVQBVTPZNZAMTH-GJZGRUSLSA-N 0 3 279.428 2.210 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC(C(C)(C)C)CC1 ZINC000836487691 638648287 /nfs/dbraw/zinc/64/82/87/638648287.db2.gz AGKJYQBFCXWFLI-UHFFFAOYSA-N 0 3 293.455 2.409 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1C(=O)N(C)C ZINC000912359591 638658432 /nfs/dbraw/zinc/65/84/32/638658432.db2.gz JHSHDXIUHCGXIK-ZDUSSCGKSA-N 0 3 289.379 2.011 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C)c1O ZINC000876805135 650440526 /nfs/dbraw/zinc/44/05/26/650440526.db2.gz YWVYURZYVUJKTN-VIFPVBQESA-N 0 3 254.717 2.109 20 30 CEEDHN C=C1CN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000912445834 638695467 /nfs/dbraw/zinc/69/54/67/638695467.db2.gz NGQFHECWYPFQOJ-UHFFFAOYSA-N 0 3 255.321 2.303 20 30 CEEDHN C=C1CCC(C(=O)N2C[C@@H](CC)N[C@@H](C)C2)CC1 ZINC000912731037 639007432 /nfs/dbraw/zinc/00/74/32/639007432.db2.gz JQLSURNGCDNLAV-GXTWGEPZSA-N 0 3 250.386 2.332 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3[nH]c(C)cc3C)CCC[C@H]12 ZINC000991412670 639043642 /nfs/dbraw/zinc/04/36/42/639043642.db2.gz DMGPXDYXMODBOH-YJBOKZPZSA-N 0 3 299.418 2.382 20 30 CEEDHN N#CC[C@@H](CC(=O)N1CC[C@H](N2CCC2)C1)c1ccccc1 ZINC000912907886 639070315 /nfs/dbraw/zinc/07/03/15/639070315.db2.gz KCOODHHAWIKNSY-IRXDYDNUSA-N 0 3 297.402 2.381 20 30 CEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC000837359329 639201179 /nfs/dbraw/zinc/20/11/79/639201179.db2.gz BQQQPXCPUBZOGF-RHSMWYFYSA-N 0 3 282.387 2.352 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](OCC)c1ccccc1 ZINC000876901292 650478544 /nfs/dbraw/zinc/47/85/44/650478544.db2.gz BTOSNFSTYDVQAE-ZIAGYGMSSA-N 0 3 296.798 2.350 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1Cc2ccccc2OC[C@H]1C ZINC000876906466 650480398 /nfs/dbraw/zinc/48/03/98/650480398.db2.gz ZXVZINMIXAYYRY-DGCLKSJQSA-N 0 3 294.782 2.266 20 30 CEEDHN CCN1CCN(c2cccc(NC(=O)C#CC3CC3)c2)CC1 ZINC000837537168 639271366 /nfs/dbraw/zinc/27/13/66/639271366.db2.gz DYSBELIHZWXKGL-UHFFFAOYSA-N 0 3 297.402 2.180 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)C#CC2CC2)C1 ZINC000837685605 639342798 /nfs/dbraw/zinc/34/27/98/639342798.db2.gz BMCMHZWXZXCBDR-INIZCTEOSA-N 0 3 296.414 2.380 20 30 CEEDHN CC(C)N1CCCC[C@H]1COC(=O)c1cc(C#N)ccn1 ZINC000837721157 639357538 /nfs/dbraw/zinc/35/75/38/639357538.db2.gz BUASZURELDZZAP-AWEZNQCLSA-N 0 3 287.363 2.373 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)c1ccc(OC)cc1 ZINC000876943456 650498150 /nfs/dbraw/zinc/49/81/50/650498150.db2.gz CPGCFPSZQYRUJL-LBPRGKRZSA-N 0 3 268.744 2.128 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCOc2c(C)cc(C)cc21 ZINC000876948749 650501679 /nfs/dbraw/zinc/50/16/79/650501679.db2.gz OGIGQMHUTCKMDA-LBPRGKRZSA-N 0 3 294.782 2.499 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC1CC1)CC1CC1 ZINC000876976756 650515599 /nfs/dbraw/zinc/51/55/99/650515599.db2.gz SLMXNMPGKOXALZ-CYBMUJFWSA-N 0 3 270.804 2.495 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(F)(F)C(C)(C)C ZINC000876977105 650515709 /nfs/dbraw/zinc/51/57/09/650515709.db2.gz WYJAIYKBXUSUEV-MRVPVSSYSA-N 0 3 268.735 2.254 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC(C)(C)[C@H]1c1ccncc1 ZINC000876982918 650518070 /nfs/dbraw/zinc/51/80/70/650518070.db2.gz JJWYDLMKFWRTCB-QWHCGFSZSA-N 0 3 293.798 2.461 20 30 CEEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000076826064 639703639 /nfs/dbraw/zinc/70/36/39/639703639.db2.gz UQXJLJNMDILVBK-JSGCOSHPSA-N 0 3 272.348 2.448 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000876992701 650522744 /nfs/dbraw/zinc/52/27/44/650522744.db2.gz HYPDOFHNEGJJFK-MRTMQBJTSA-N 0 3 280.746 2.206 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(F)c[nH]3)CCC[C@H]12 ZINC000991911113 639764828 /nfs/dbraw/zinc/76/48/28/639764828.db2.gz SWLIKRBKSZLBQE-ZFWWWQNUSA-N 0 3 277.343 2.067 20 30 CEEDHN C[C@H](CO)NN=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841629691 639801375 /nfs/dbraw/zinc/80/13/75/639801375.db2.gz SGFNGCIGUMZXJY-DYVFJYSZSA-N 0 3 287.407 2.312 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000841900659 639902536 /nfs/dbraw/zinc/90/25/36/639902536.db2.gz BVENMSHNZXXNRF-HLLBOEOZSA-N 0 3 299.418 2.013 20 30 CEEDHN CC[C@H](OC1CCCC1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000842285113 639998051 /nfs/dbraw/zinc/99/80/51/639998051.db2.gz NBKCSDJEVGFNCC-KBPBESRZSA-N 0 3 292.379 2.055 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3cnoc3CC)CCC[C@H]12 ZINC000992268266 640009118 /nfs/dbraw/zinc/00/91/18/640009118.db2.gz JFFKTJVFVCCSMI-GOEBONIOSA-N 0 3 289.379 2.150 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3ccco3)CCC[C@H]12 ZINC000992273565 640011014 /nfs/dbraw/zinc/01/10/14/640011014.db2.gz AQMCURWXORVSQD-AHEZYBDSSA-N 0 3 298.386 2.130 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3ccco3)CCC[C@H]12 ZINC000992273568 640011117 /nfs/dbraw/zinc/01/11/17/640011117.db2.gz AQMCURWXORVSQD-DEICHXMPSA-N 0 3 298.386 2.130 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CC34CCC4)CCC[C@H]12 ZINC000992290714 640016676 /nfs/dbraw/zinc/01/66/76/640016676.db2.gz MSKOOWBUMGCPCK-JKIFEVAISA-N 0 3 274.408 2.476 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)c3cc(C)n(C)c3C)CCC[C@@H]12 ZINC000992467974 640099092 /nfs/dbraw/zinc/09/90/92/640099092.db2.gz WIQLDNIUDFWCKZ-SJLPKXTDSA-N 0 3 299.418 2.002 20 30 CEEDHN C#CCCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877069664 650558054 /nfs/dbraw/zinc/55/80/54/650558054.db2.gz DVVPTOJAMYQQJT-UHFFFAOYSA-N 0 3 259.265 2.239 20 30 CEEDHN C#CCC1(NC(=O)N[C@@H]2CCCN(C)C2)CCCCC1 ZINC000914314826 640310585 /nfs/dbraw/zinc/31/05/85/640310585.db2.gz DSLVHUCBKCBKBM-CQSZACIVSA-N 0 3 277.412 2.106 20 30 CEEDHN CC[C@@H](CCO)CNCc1cc(C#N)cnc1Cl ZINC000877111172 650578472 /nfs/dbraw/zinc/57/84/72/650578472.db2.gz HHEFNBIQDDTCGC-JTQLQIEISA-N 0 3 267.760 2.105 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccnc(F)c2)[C@H]1C ZINC000993126760 640466115 /nfs/dbraw/zinc/46/61/15/640466115.db2.gz KXNPZLWHTPKIHD-TZMCWYRMSA-N 0 3 291.370 2.380 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2ocnc2C)[C@@H]1C ZINC000993189262 640527752 /nfs/dbraw/zinc/52/77/52/640527752.db2.gz WYWLZPVUQWYRLP-QWHCGFSZSA-N 0 3 277.368 2.142 20 30 CEEDHN C[C@@H](C[C@H](O)c1ccco1)NCc1cccc(C#N)n1 ZINC000877131188 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ZINC000753963874 644304316 /nfs/dbraw/zinc/30/43/16/644304316.db2.gz VYTUCJGMTHPLJS-GDBMZVCRSA-N 0 3 270.376 2.304 20 30 CEEDHN Cc1cc(C)nc(N=NC2CN(C(C)C)C[C@@H]2C)n1 ZINC000754255411 644347894 /nfs/dbraw/zinc/34/78/94/644347894.db2.gz REIWJQXBMKZTSR-JTQLQIEISA-N 0 3 261.373 2.221 20 30 CEEDHN C#C[C@H]1CC[C@H](NCc2ccoc2C(=O)OC)CC1 ZINC000877834748 650927033 /nfs/dbraw/zinc/92/70/33/650927033.db2.gz XPRHJWJCOKJQAZ-AULYBMBSSA-N 0 3 261.321 2.348 20 30 CEEDHN C(=Nn1cnnc1-c1ccccc1)C1CCOCC1 ZINC000755617309 644535316 /nfs/dbraw/zinc/53/53/16/644535316.db2.gz KTFNZTHVQRPPSK-UHFFFAOYSA-N 0 3 256.309 2.206 20 30 CEEDHN COC[C@H](C)CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000756234125 644618662 /nfs/dbraw/zinc/61/86/62/644618662.db2.gz QJYLRWIHIIXXSV-YPMHNXCESA-N 0 3 274.320 2.007 20 30 CEEDHN COC[C@@H](C)CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000756234117 644618680 /nfs/dbraw/zinc/61/86/80/644618680.db2.gz QJYLRWIHIIXXSV-AAEUAGOBSA-N 0 3 274.320 2.007 20 30 CEEDHN CCCC[C@H](ON=C(C)C)C(=O)N1CCN[C@H](C(C)C)C1 ZINC000856490175 644686309 /nfs/dbraw/zinc/68/63/09/644686309.db2.gz XGUNLLFDGSRJJO-GJZGRUSLSA-N 0 3 297.443 2.414 20 30 CEEDHN C#CC[C@@H](NC(=O)N[C@H]1CCCN(C)C1)c1ccccc1 ZINC000757032994 644721758 /nfs/dbraw/zinc/72/17/58/644721758.db2.gz KQUPUBLWYJYVLJ-JKSUJKDBSA-N 0 3 285.391 2.144 20 30 CEEDHN C#C[C@H](CC)NCc1cc(C(=O)OC)c2n1CCCC2 ZINC000857045755 644798811 /nfs/dbraw/zinc/79/88/11/644798811.db2.gz WHKNCRSZAHFLMU-GFCCVEGCSA-N 0 3 274.364 2.112 20 30 CEEDHN C#CCOc1ccccc1CNCCNc1ccccn1 ZINC000757687809 644835916 /nfs/dbraw/zinc/83/59/16/644835916.db2.gz HSTCEWGWCNZFPL-UHFFFAOYSA-N 0 3 281.359 2.295 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(C(F)F)ccc1F ZINC000857721919 644957853 /nfs/dbraw/zinc/95/78/53/644957853.db2.gz XTMZJCBSDZRZRL-UHFFFAOYSA-N 0 3 298.308 2.448 20 30 CEEDHN Cc1cc(C(C#N)C(=O)C=Cc2cccnc2)nc(C)n1 ZINC000759205766 644997913 /nfs/dbraw/zinc/99/79/13/644997913.db2.gz QXDLOTBAFVHUED-GEXIGZQTSA-N 0 3 278.315 2.378 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(C)C1 ZINC000805185238 645064938 /nfs/dbraw/zinc/06/49/38/645064938.db2.gz VFGYBEXVNRPSQX-SJORKVTESA-N 0 3 299.418 2.014 20 30 CEEDHN C#CC[C@@H](CCOC)[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000858333292 645121396 /nfs/dbraw/zinc/12/13/96/645121396.db2.gz BHSIMSVLWHMBEE-AWEZNQCLSA-N 0 3 277.364 2.309 20 30 CEEDHN CCCCCCOCC(=O)C(C#N)c1ccncn1 ZINC000760335326 645141281 /nfs/dbraw/zinc/14/12/81/645141281.db2.gz UDSIVRUUQFZTIK-LBPRGKRZSA-N 0 3 261.325 2.250 20 30 CEEDHN Cc1ccc(OCC(=O)C(C#N)c2ccncn2)cc1C ZINC000760338725 645142649 /nfs/dbraw/zinc/14/26/49/645142649.db2.gz FPCBIANZFSTOCT-CQSZACIVSA-N 0 3 281.315 2.349 20 30 CEEDHN C[C@@H]1CCC[C@@H](OCC(=O)C(C#N)c2ccncn2)C1 ZINC000760341016 645143007 /nfs/dbraw/zinc/14/30/07/645143007.db2.gz QEAXQOLMKIGQTB-UPJWGTAASA-N 0 3 273.336 2.248 20 30 CEEDHN C#CCCOC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000858921187 645295515 /nfs/dbraw/zinc/29/55/15/645295515.db2.gz BTPISBCKJKQZAV-HNNXBMFYSA-N 0 3 274.364 2.347 20 30 CEEDHN C[C@@H]1CC(N=Nc2cnnc3ccccc23)CN1C ZINC000761808709 645318769 /nfs/dbraw/zinc/31/87/69/645318769.db2.gz DRZSINCPNBQAGG-SNVBAGLBSA-N 0 3 255.325 2.122 20 30 CEEDHN N#Cc1ccc([C@H](O)CNCc2ccc(Cl)nc2)cc1 ZINC000763237380 645520019 /nfs/dbraw/zinc/52/00/19/645520019.db2.gz XXPKPHJYOUCSDU-CQSZACIVSA-N 0 3 287.750 2.430 20 30 CEEDHN C#CCNC(=O)CN[C@H](c1cccc(C)c1)C(C)C ZINC000859847249 645631694 /nfs/dbraw/zinc/63/16/94/645631694.db2.gz WALKISDGPMHELS-INIZCTEOSA-N 0 3 258.365 2.031 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](CC)c1cc(C)ccc1C ZINC000859935755 645659433 /nfs/dbraw/zinc/65/94/33/645659433.db2.gz XBZLLWYZAOLYTH-GOEBONIOSA-N 0 3 272.392 2.482 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@@]34CCOC4)nc21 ZINC000764778305 645688299 /nfs/dbraw/zinc/68/82/99/645688299.db2.gz AZTNHBNBINZGKO-BWACUDIHSA-N 0 3 295.342 2.474 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)C12CC(C1)C2 ZINC000860470675 645800089 /nfs/dbraw/zinc/80/00/89/645800089.db2.gz TUJPVKJDNQYHCW-JYHUIVOISA-N 0 3 254.289 2.134 20 30 CEEDHN Cc1cccc([C@@H]2C[C@H]2C(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000860473571 645801803 /nfs/dbraw/zinc/80/18/03/645801803.db2.gz NJSCUUIZKCXCKX-ZNMIVQPWSA-N 0 3 284.359 2.332 20 30 CEEDHN N#CC(C(=O)C[C@@H]1COC(=O)C1)c1ccc2ccccc2n1 ZINC000766236676 645862245 /nfs/dbraw/zinc/86/22/45/645862245.db2.gz GDGOQMNBCQJILI-WCQYABFASA-N 0 3 294.310 2.364 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccnc(SC)c2)CC1 ZINC000766750848 645921045 /nfs/dbraw/zinc/92/10/45/645921045.db2.gz ORXABXVRCSNHMG-UHFFFAOYSA-N 0 3 289.404 2.087 20 30 CEEDHN CCCC[C@@H](ON=C(C)C)C(=O)NCCN1CCCC1 ZINC000767790934 646040766 /nfs/dbraw/zinc/04/07/66/646040766.db2.gz YJPICCUJBUQIIN-CQSZACIVSA-N 0 3 283.416 2.170 20 30 CEEDHN N#CCCNC(=O)CN1CCC[C@H]1CCC1CCCC1 ZINC000767900399 646053220 /nfs/dbraw/zinc/05/32/20/646053220.db2.gz BXYDCECKRRUKOB-HNNXBMFYSA-N 0 3 277.412 2.451 20 30 CEEDHN C#CCOc1ccccc1CN1CCN(CC)[C@H](C)C1 ZINC000769382179 646255737 /nfs/dbraw/zinc/25/57/37/646255737.db2.gz VGPYXFFMFOXKDS-OAHLLOKOSA-N 0 3 272.392 2.225 20 30 CEEDHN C#C[C@@H](CC)NCc1c(C)[nH]c(C(=O)OCC)c1C ZINC000862362530 646413795 /nfs/dbraw/zinc/41/37/95/646413795.db2.gz AQSOOBMNTJIQHL-LBPRGKRZSA-N 0 3 262.353 2.310 20 30 CEEDHN CCOC(=O)C1=CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000862489384 646480672 /nfs/dbraw/zinc/48/06/72/646480672.db2.gz JPPPXIPKEVBBPI-AWEZNQCLSA-N 0 3 288.322 2.439 20 30 CEEDHN Cc1cc(NN=Cc2ccc(O[C@@H]3CCOC3)cc2)ccn1 ZINC000863160523 646658081 /nfs/dbraw/zinc/65/80/81/646658081.db2.gz IPDBYGRLMQGFGY-QGZVFWFLSA-N 0 3 297.358 2.426 20 30 CEEDHN CC1(C(=O)OCC#N)CCN(Cc2ccccc2)CC1 ZINC000772704627 646662210 /nfs/dbraw/zinc/66/22/10/646662210.db2.gz FZZCBJAXFOTSGT-UHFFFAOYSA-N 0 3 272.348 2.355 20 30 CEEDHN N#Cc1csc(CNC[C@H]2COC3(CCCC3)O2)c1 ZINC000773419578 646737266 /nfs/dbraw/zinc/73/72/66/646737266.db2.gz XPAQLPWIKDZLKI-LBPRGKRZSA-N 0 3 278.377 2.395 20 30 CEEDHN C#CCCN1CCN(Cc2ccc(N(C)CC)cc2)CC1 ZINC000773815841 646777689 /nfs/dbraw/zinc/77/76/89/646777689.db2.gz ZJFKKQSHBDLHSK-UHFFFAOYSA-N 0 3 285.435 2.284 20 30 CEEDHN c1ccc2c(c1)NCCCC2=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000774395100 646841552 /nfs/dbraw/zinc/84/15/52/646841552.db2.gz RBTWQVMKZLVRBL-HZPDHXFCSA-N 0 3 297.406 2.456 20 30 CEEDHN CN1CCc2cc(C=NOC3CCOCC3)ccc21 ZINC000774452602 646849030 /nfs/dbraw/zinc/84/90/30/646849030.db2.gz JTKBIHAATCRXIF-UHFFFAOYSA-N 0 3 260.337 2.208 20 30 CEEDHN C#CCNC(=O)CN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000775175440 646928238 /nfs/dbraw/zinc/92/82/38/646928238.db2.gz AZBUGOHXGLZWPD-KRWDZBQOSA-N 0 3 288.366 2.396 20 30 CEEDHN C#C[C@@H](NCc1cc(-n2ccnc2)cs1)[C@H]1CCCO1 ZINC000775340829 646942671 /nfs/dbraw/zinc/94/26/71/646942671.db2.gz IKSCXKVODIBARR-HUUCEWRRSA-N 0 3 287.388 2.204 20 30 CEEDHN C#CC[C@@H](NCc1ccn(C)c(=O)c1)c1ccccc1 ZINC000775405391 646950977 /nfs/dbraw/zinc/95/09/77/646950977.db2.gz VUYYELVNZAVUBY-MRXNPFEDSA-N 0 3 266.344 2.240 20 30 CEEDHN C#CCNC(=O)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000776026620 647017352 /nfs/dbraw/zinc/01/73/52/647017352.db2.gz QYQZPQPEPIDFPV-DIOULYMOSA-N 0 3 290.794 2.376 20 30 CEEDHN CNC(=O)C1(NCc2ccc(C#N)cc2C)CCCC1 ZINC000776797346 647091794 /nfs/dbraw/zinc/09/17/94/647091794.db2.gz BTUPJPJSJSJJLM-UHFFFAOYSA-N 0 3 271.364 2.015 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)c2sccc2CC#N)C1 ZINC000864878727 647125616 /nfs/dbraw/zinc/12/56/16/647125616.db2.gz AMKJKWYCOHXDCP-GFCCVEGCSA-N 0 3 291.420 2.276 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2ccccc2CC#N)CC1 ZINC000777389861 647131733 /nfs/dbraw/zinc/13/17/33/647131733.db2.gz WOJDFPQJRCOKBJ-UHFFFAOYSA-N 0 3 297.402 2.062 20 30 CEEDHN CC(C)(C)N1CCCN(C(=O)c2coc(C#N)c2)CC1 ZINC000865047821 647165498 /nfs/dbraw/zinc/16/54/98/647165498.db2.gz XDFPDDNHLDZVAB-UHFFFAOYSA-N 0 3 275.352 2.098 20 30 CEEDHN CCN(CC)c1ccc(C=NN[C@H](C)COC)c(O)c1 ZINC000777902683 647188857 /nfs/dbraw/zinc/18/88/57/647188857.db2.gz SNEPINKQWOTESH-GFCCVEGCSA-N 0 3 279.384 2.197 20 30 CEEDHN CN1CCC[C@@H]1CNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865467192 647307840 /nfs/dbraw/zinc/30/78/40/647307840.db2.gz WCAHFTBLFBNOCT-SNVBAGLBSA-N 0 3 278.287 2.112 20 30 CEEDHN COC(=O)c1cccc(N=NC2C[C@@H](C)N(C3CC3)C2)c1 ZINC000779827662 647362806 /nfs/dbraw/zinc/36/28/06/647362806.db2.gz MMKLBAVQAYHPKG-LLVKDONJSA-N 0 3 287.363 2.498 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CNCCO[C@H]1CC1(F)F ZINC000865625658 647394263 /nfs/dbraw/zinc/39/42/63/647394263.db2.gz UBXRJPNFOSELCI-AWEZNQCLSA-N 0 3 295.333 2.138 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000865629667 647396062 /nfs/dbraw/zinc/39/60/62/647396062.db2.gz MCWXATSYJFEJAG-HZPDHXFCSA-N 0 3 285.391 2.017 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3[C@H]4CCCO[C@H]43)nc21 ZINC000780382381 647422909 /nfs/dbraw/zinc/42/29/09/647422909.db2.gz WKKDXRSZIMFXBR-RLSLPTNOSA-N 0 3 295.342 2.473 20 30 CEEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3[C@H]4CCCO[C@H]43)[nH]c21 ZINC000780382381 647422910 /nfs/dbraw/zinc/42/29/10/647422910.db2.gz WKKDXRSZIMFXBR-RLSLPTNOSA-N 0 3 295.342 2.473 20 30 CEEDHN Cn1ncc(Cl)c1CN[C@H]1Cc2ccc(C#N)cc2C1 ZINC000865849113 647492967 /nfs/dbraw/zinc/49/29/67/647492967.db2.gz YCRWYKLOBXURSG-ZDUSSCGKSA-N 0 3 286.766 2.202 20 30 CEEDHN CN(C[C@@H]1CCCN1C)c1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865883840 647523613 /nfs/dbraw/zinc/52/36/13/647523613.db2.gz NCAAECRAKZAJAD-NSHDSACASA-N 0 3 292.314 2.136 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC2(CNC(=O)O2)CC1 ZINC000781992347 647577546 /nfs/dbraw/zinc/57/75/46/647577546.db2.gz JBKPWERBWVLYEC-LBPRGKRZSA-N 0 3 285.347 2.194 20 30 CEEDHN C#CCOc1ccccc1OC(=O)C1CCN(C2CC2)CC1 ZINC000783334697 647708718 /nfs/dbraw/zinc/70/87/18/647708718.db2.gz DSABPBVIABUGNF-UHFFFAOYSA-N 0 3 299.370 2.478 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H](C)c1cc2c(s1)CCC2 ZINC000783530938 647725774 /nfs/dbraw/zinc/72/57/74/647725774.db2.gz DYSILDREJICSIP-LLVKDONJSA-N 0 3 299.461 2.488 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)c1cccs1 ZINC000121766375 647952768 /nfs/dbraw/zinc/95/27/68/647952768.db2.gz DMGMKGVHJQSYML-NXEZZACHSA-N 0 3 264.350 2.085 20 30 CEEDHN Cc1sccc1CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000786933364 648058133 /nfs/dbraw/zinc/05/81/33/648058133.db2.gz CGMGKJNVISHYET-LBPRGKRZSA-N 0 3 299.355 2.342 20 30 CEEDHN C[C@@H](NN=Cc1ccc(N(C)CCO)cc1)C(C)(C)C ZINC000793113863 648709442 /nfs/dbraw/zinc/70/94/42/648709442.db2.gz HLUHISJFFKICMO-CYBMUJFWSA-N 0 3 277.412 2.473 20 30 CEEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2CCCC[C@@H]2F)cc1 ZINC000872219048 649320246 /nfs/dbraw/zinc/32/02/46/649320246.db2.gz QKUIJPKIMJZOOE-VNQPRFMTSA-N 0 3 292.354 2.168 20 30 CEEDHN C#C[C@H]1CC[C@H](NC(=O)NC2CCN(CC=C)CC2)CC1 ZINC000872901348 649508351 /nfs/dbraw/zinc/50/83/51/649508351.db2.gz BPAUVHZVRLHHPH-SHTZXODSSA-N 0 3 289.423 2.128 20 30 CEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874827288 649843553 /nfs/dbraw/zinc/84/35/53/649843553.db2.gz QOYHLUIRNGKDQG-CHWSQXEVSA-N 0 3 250.386 2.284 20 30 CEEDHN C[C@@H]1CN(CCSC(C)(C)C)C[C@@H](C)N1CC#N ZINC000878773035 651182948 /nfs/dbraw/zinc/18/29/48/651182948.db2.gz VHLPQOGUVQUUFO-CHWSQXEVSA-N 0 3 269.458 2.436 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC(Nc2ccccc2C#N)CC1 ZINC000878962870 651219373 /nfs/dbraw/zinc/21/93/73/651219373.db2.gz OJGKDEKWXUDQQT-AWEZNQCLSA-N 0 3 298.390 2.363 20 30 CEEDHN Cc1cncc([C@H]2CCCN2CCO[C@H](C)C#N)c1 ZINC000879752971 651347638 /nfs/dbraw/zinc/34/76/38/651347638.db2.gz YLJCVVFGYQURIZ-UKRRQHHQSA-N 0 3 259.353 2.456 20 30 CEEDHN C#CC[C@H](CO)NCc1ccccc1N1CCCCC1 ZINC000883122877 652368837 /nfs/dbraw/zinc/36/88/37/652368837.db2.gz CRDSQVZIGKLSNX-MRXNPFEDSA-N 0 3 272.392 2.151 20 30 CEEDHN Cn1nc2c(c1CNCC(C)(C)CC#N)CSCC2 ZINC000883144552 652377316 /nfs/dbraw/zinc/37/73/16/652377316.db2.gz RWBQBDVKNVPIGF-UHFFFAOYSA-N 0 3 278.425 2.239 20 30 CEEDHN C#CC1(NCc2cccc(S(C)(=O)=O)c2)CCCC1 ZINC000883361441 652444208 /nfs/dbraw/zinc/44/42/08/652444208.db2.gz DBAYLNGUZBALBF-UHFFFAOYSA-N 0 3 277.389 2.126 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cnc(C(C)(C)C)nc1 ZINC000883400294 652456703 /nfs/dbraw/zinc/45/67/03/652456703.db2.gz IYEYLBOMBKXUEQ-ZDUSSCGKSA-N 0 3 263.385 2.191 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1ccc(OC)c(OC)c1OC ZINC000883401225 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C=C(C)CN1CC[C@H](NC(=O)[C@H](C)C(C)(C)C)C1 ZINC001267725286 803677669 /nfs/dbraw/zinc/67/76/69/803677669.db2.gz LTVCAMAFWMROPW-STQMWFEESA-N 0 3 252.402 2.435 20 30 CEEDHN C#CCCCCCC(=O)N1CC[C@H](CN(C)CCF)C1 ZINC001267672136 803651005 /nfs/dbraw/zinc/65/10/05/803651005.db2.gz ZMHWGLJILNCWFL-OAHLLOKOSA-N 0 3 282.403 2.320 20 30 CEEDHN C=C1CCC(C(=O)NCC2CN(CCCCOC)C2)CC1 ZINC001267691801 803660923 /nfs/dbraw/zinc/66/09/23/803660923.db2.gz VMBQPEWAUAUROJ-UHFFFAOYSA-N 0 3 294.439 2.207 20 30 CEEDHN C#CCCN1CC(CNC(=O)C2(CC)CCCCC2)C1 ZINC001267698907 803664032 /nfs/dbraw/zinc/66/40/32/803664032.db2.gz JMJHAFYQTUBAKM-UHFFFAOYSA-N 0 3 276.424 2.418 20 30 CEEDHN C=C[C@](C)(O)CC(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)C ZINC001267705377 803666415 /nfs/dbraw/zinc/66/64/15/803666415.db2.gz YAWVPINHWALKBU-ZOBUZTSGSA-N 0 3 294.439 2.035 20 30 CEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnccc1C ZINC001267706800 803667428 /nfs/dbraw/zinc/66/74/28/803667428.db2.gz HZGAIRPBLNBOGE-GJZGRUSLSA-N 0 3 285.391 2.255 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccn1CC=C ZINC001038345606 803667516 /nfs/dbraw/zinc/66/75/16/803667516.db2.gz QDCRUOCJPUKBQX-AWEZNQCLSA-N 0 3 273.380 2.054 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001267727302 803679068 /nfs/dbraw/zinc/67/90/68/803679068.db2.gz AKQLQIMAOZXNLX-GJZGRUSLSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)Cc2ccco2)C1 ZINC001267749245 803706085 /nfs/dbraw/zinc/70/60/85/803706085.db2.gz FBFIAEXNZXGTNU-ZIAGYGMSSA-N 0 3 276.380 2.225 20 30 CEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)/C(C)=C\CC)C1 ZINC001267760672 803715856 /nfs/dbraw/zinc/71/58/56/803715856.db2.gz WYUPVFIJVGALHQ-XIEDVDOYSA-N 0 3 280.412 2.078 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C(=O)CCC2(C)CC2)C1 ZINC001267774119 803727071 /nfs/dbraw/zinc/72/70/71/803727071.db2.gz FHFMEEUPFBPUJM-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN CC(C)C[C@H]([NH2+][C@@H]1CCc2c(F)cccc2C1)C(=O)N[O-] ZINC001171417615 814964883 /nfs/dbraw/zinc/96/48/83/814964883.db2.gz CXQRXOJTLLSYLV-DOMZBBRYSA-N 0 3 294.370 2.193 20 30 CEEDHN C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001267961151 803851779 /nfs/dbraw/zinc/85/17/79/803851779.db2.gz XGNRETQURJUJIP-KBAYOESNSA-N 0 3 296.414 2.275 20 30 CEEDHN C=C(C)CCC(=O)NC[C@H](C)CNCc1oc(C)nc1C ZINC001267987388 803889656 /nfs/dbraw/zinc/88/96/56/803889656.db2.gz BTWZSUPPPKOBPY-GFCCVEGCSA-N 0 3 293.411 2.490 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C(C)C)n[nH]1 ZINC001038717243 804035720 /nfs/dbraw/zinc/03/57/20/804035720.db2.gz MZUFOMGPHIHWST-ZDUSSCGKSA-N 0 3 290.411 2.303 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CC2=CCCCC2)C1 ZINC001027332309 804040346 /nfs/dbraw/zinc/04/03/46/804040346.db2.gz NJEYVPFFQRKJFY-MRXNPFEDSA-N 0 3 274.408 2.433 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c(C)coc2C)C1 ZINC001027395636 804061946 /nfs/dbraw/zinc/06/19/46/804061946.db2.gz HOZQYDFFTRAFKR-CQSZACIVSA-N 0 3 274.364 2.066 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001027426040 804070778 /nfs/dbraw/zinc/07/07/78/804070778.db2.gz 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/nfs/dbraw/zinc/72/12/86/804721286.db2.gz ILJCLGKAKVOFNV-PHPOFCCKSA-N 0 3 288.435 2.435 20 30 CEEDHN N#Cc1cccc(CN2CC[C@@H](CNC(=O)C3CCC3)C2)c1 ZINC001028366738 804736513 /nfs/dbraw/zinc/73/65/13/804736513.db2.gz HDYVXOLBGDTPOG-INIZCTEOSA-N 0 3 297.402 2.296 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccccc2C)C1 ZINC001028382605 804746239 /nfs/dbraw/zinc/74/62/39/804746239.db2.gz IPYHDVWXMNAUHY-HNNXBMFYSA-N 0 3 270.376 2.070 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc3occc3c2)C1 ZINC001028557546 804837305 /nfs/dbraw/zinc/83/73/05/804837305.db2.gz GOUWMDMNSBNKJF-CYBMUJFWSA-N 0 3 282.343 2.118 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001028562481 804838147 /nfs/dbraw/zinc/83/81/47/804838147.db2.gz PGNFZQKZSHGTAV-HOTGVXAUSA-N 0 3 274.408 2.194 20 30 CEEDHN C#CCNC/C=C/CNC(=O)c1cc2c(s1)CCCC2 ZINC001268617283 804892936 /nfs/dbraw/zinc/89/29/36/804892936.db2.gz ACROQNQIGNELSI-AATRIKPKSA-N 0 3 288.416 2.136 20 30 CEEDHN CC#CCNC/C=C\CNC(=O)c1cccc2c1CCC2 ZINC001268631639 804896800 /nfs/dbraw/zinc/89/68/00/804896800.db2.gz CHHPYNNBJICELS-PLNGDYQASA-N 0 3 282.387 2.074 20 30 CEEDHN C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)C1(C)CC1 ZINC001268647558 804906180 /nfs/dbraw/zinc/90/61/80/804906180.db2.gz XFQHNRNDZAHZDO-CYBMUJFWSA-N 0 3 288.366 2.072 20 30 CEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cscc1C ZINC001268722562 804943303 /nfs/dbraw/zinc/94/33/03/804943303.db2.gz AVGRTENBVUDGMM-NSHDSACASA-N 0 3 252.383 2.293 20 30 CEEDHN C=CCN(C)C[C@@H](C)NC(=O)CCc1csc(C)n1 ZINC001268747863 804957219 /nfs/dbraw/zinc/95/72/19/804957219.db2.gz CLBFOLNNIAESFL-LLVKDONJSA-N 0 3 281.425 2.007 20 30 CEEDHN C=CCN(C)C[C@@H](C)NC(=O)C[C@H]1CCC2(CCC2)CO1 ZINC001268752437 804958078 /nfs/dbraw/zinc/95/80/78/804958078.db2.gz NTBNQROTJXOJAX-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H](C)CN(C)CC=C(C)C)nc1 ZINC001268752897 804960609 /nfs/dbraw/zinc/96/06/09/804960609.db2.gz RAWSMMYTZIBVCB-CQSZACIVSA-N 0 3 285.391 2.079 20 30 CEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc2cnccc2c1 ZINC001268754362 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C#CCCN1CC[C@@H](NC(=O)[C@@H](C)Cc2ccccc2C)C1 ZINC001269200361 805078061 /nfs/dbraw/zinc/07/80/61/805078061.db2.gz VFOPJTFTXLNOMW-FUHWJXTLSA-N 0 3 298.430 2.387 20 30 CEEDHN C=CCCC(=O)N(C)[C@H]1CCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001269221781 805090090 /nfs/dbraw/zinc/09/00/90/805090090.db2.gz OPULLJSLXGMBIT-LSDHHAIUSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)C2(C)CC(=C)C2)C1 ZINC001269275965 805109319 /nfs/dbraw/zinc/10/93/19/805109319.db2.gz WOPLPAWQRKIWOD-HNNXBMFYSA-N 0 3 292.423 2.078 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H](C)C(C)C)C1 ZINC001269348754 805136407 /nfs/dbraw/zinc/13/64/07/805136407.db2.gz NFZCDAPCTFGQSC-LSDHHAIUSA-N 0 3 264.413 2.225 20 30 CEEDHN CC#CCNC1(CNC(=O)CCCc2ccccc2)CC1 ZINC001269484550 805177591 /nfs/dbraw/zinc/17/75/91/805177591.db2.gz NVQBAKRCFFTBKH-UHFFFAOYSA-N 0 3 284.403 2.271 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001028729850 805179903 /nfs/dbraw/zinc/17/99/03/805179903.db2.gz VKJCCFYOTZZWBW-CQSZACIVSA-N 0 3 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CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CO[C@@H](C)C1 ZINC001017679720 810543174 /nfs/dbraw/zinc/54/31/74/810543174.db2.gz DOAJBVFIDNILCN-XUWVNRHRSA-N 0 3 292.423 2.053 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CO[C@H](C)C1 ZINC001017679714 810543812 /nfs/dbraw/zinc/54/38/12/810543812.db2.gz DOAJBVFIDNILCN-QXSJWSMHSA-N 0 3 292.423 2.053 20 30 CEEDHN C=CCn1cc(CNC[C@H]2CCc3ccccc32)nn1 ZINC001119971217 810567051 /nfs/dbraw/zinc/56/70/51/810567051.db2.gz IRVDBYBDKCPWBW-CQSZACIVSA-N 0 3 268.364 2.284 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC001122054043 815381505 /nfs/dbraw/zinc/38/15/05/815381505.db2.gz MTAOBPXJGNXRFZ-HUUCEWRRSA-N 0 3 280.412 2.230 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC1(F)F ZINC001085190954 810629609 /nfs/dbraw/zinc/62/96/09/810629609.db2.gz ARJPHGGBSCFUHZ-HBNTYKKESA-N 0 3 292.757 2.411 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccccc1O ZINC001122115038 815385401 /nfs/dbraw/zinc/38/54/01/815385401.db2.gz 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/nfs/dbraw/zinc/69/23/25/810692325.db2.gz VQOUOEWITMQOEE-CHWSQXEVSA-N 0 3 281.787 2.398 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1c(C)nn(CC)c1C ZINC001122178451 815390103 /nfs/dbraw/zinc/39/01/03/815390103.db2.gz ICVBVBBFJQMPJY-HNNXBMFYSA-N 0 3 292.427 2.162 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001019653221 810726362 /nfs/dbraw/zinc/72/63/62/810726362.db2.gz GLEPSJCTNKLHDC-GJZGRUSLSA-N 0 3 276.424 2.417 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N[C@H]1c2ccccc2OC[C@@H]1F ZINC001122248652 815396199 /nfs/dbraw/zinc/39/61/99/815396199.db2.gz RPNRXKIANQGQIG-YDHLFZDLSA-N 0 3 292.354 2.258 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccsc1 ZINC001085475872 810780135 /nfs/dbraw/zinc/78/01/35/810780135.db2.gz MCBQCCKIMRUZHB-ZDUSSCGKSA-N 0 3 264.394 2.471 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C[C@H](C)CC)C1 ZINC001276376023 810783751 /nfs/dbraw/zinc/78/37/51/810783751.db2.gz KDEYGGBIJWAGNX-CHWSQXEVSA-N 0 3 252.402 2.435 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C ZINC001085539108 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CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1[C@@H](C)[C@H]1OCC ZINC001122441730 815412411 /nfs/dbraw/zinc/41/24/11/815412411.db2.gz GOPFGRNKQVZEEY-GUIRCDHDSA-N 0 3 294.395 2.063 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccn1 ZINC001039318291 811007285 /nfs/dbraw/zinc/00/72/85/811007285.db2.gz BLANIQHQTKZQIW-CABCVRRESA-N 0 3 285.391 2.337 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1 ZINC001039356727 811016061 /nfs/dbraw/zinc/01/60/61/811016061.db2.gz SYJMHTKGRPYDAP-CVEARBPZSA-N 0 3 287.407 2.280 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cnccc2C)C1 ZINC001086050800 811017100 /nfs/dbraw/zinc/01/71/00/811017100.db2.gz NKCIRFDVELPOGJ-BETUJISGSA-N 0 3 293.798 2.241 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(C)cc1C ZINC001039395403 811023149 /nfs/dbraw/zinc/02/31/49/811023149.db2.gz NOHOEFQJCFDOLV-CVEARBPZSA-N 0 3 299.418 2.334 20 30 CEEDHN CC[C@H](C)CC(=O)N[C@@H]1CCCN(CC#CCOC)CC1 ZINC001273408699 811057044 /nfs/dbraw/zinc/05/70/44/811057044.db2.gz 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C=CCN1CC[C@@H]2CCN(C(=O)c3ncc(C)cc3C)C[C@H]21 ZINC001042163123 811248608 /nfs/dbraw/zinc/24/86/08/811248608.db2.gz OPKBYDOWODGIRP-HZPDHXFCSA-N 0 3 299.418 2.421 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@H]2CCN(CC#CC)[C@H]2C1 ZINC001042181177 811252090 /nfs/dbraw/zinc/25/20/90/811252090.db2.gz DOHZBQFQNPJZKF-CABCVRRESA-N 0 3 274.408 2.145 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@@H]21 ZINC001042198734 811253003 /nfs/dbraw/zinc/25/30/03/811253003.db2.gz MUNBKPAJZUPPMZ-RBZJEDDUSA-N 0 3 274.408 2.141 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)C(C)(C)CC)C[C@@H]21 ZINC001042202127 811257510 /nfs/dbraw/zinc/25/75/10/811257510.db2.gz WFMKCNDLNPNEGY-GJZGRUSLSA-N 0 3 276.424 2.369 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccn(C)c3C)C[C@@H]21 ZINC001042224768 811258493 /nfs/dbraw/zinc/25/84/93/811258493.db2.gz QSYDGORLQVRRPA-ZBFHGGJFSA-N 0 3 287.407 2.056 20 30 CEEDHN C[C@H](N)c1ccn(-c2nc(C(C)(C)C)ccc2C#N)n1 ZINC001169229200 811442531 /nfs/dbraw/zinc/44/25/31/811442531.db2.gz 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C#CCCN1CC[C@@](C)(NC(=O)c2ccoc2CCC)C1 ZINC001046771823 811812996 /nfs/dbraw/zinc/81/29/96/811812996.db2.gz USOKGPKUMULALU-QGZVFWFLSA-N 0 3 288.391 2.450 20 30 CEEDHN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCF ZINC001109046266 811813754 /nfs/dbraw/zinc/81/37/54/811813754.db2.gz LSHKYLFFRLAPNG-AGIUHOORSA-N 0 3 254.349 2.034 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(C)n(C)c2C)C1 ZINC001046825598 811825444 /nfs/dbraw/zinc/82/54/44/811825444.db2.gz YUDFBBRRHQYWEO-KRWDZBQOSA-N 0 3 289.423 2.412 20 30 CEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001046930780 811841075 /nfs/dbraw/zinc/84/10/75/811841075.db2.gz JJBFOPCADRXTLF-STQMWFEESA-N 0 3 298.377 2.129 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOCC1CC1)C2 ZINC001109274697 811854589 /nfs/dbraw/zinc/85/45/89/811854589.db2.gz OQWLMZFYLZIMLJ-PMPSAXMXSA-N 0 3 292.423 2.101 20 30 CEEDHN CC[C@H](C)[C@H]([NH2+]C1CC(C)(C)OC(C)(C)C1)C(=O)N[O-] ZINC001172655300 815482329 /nfs/dbraw/zinc/48/23/29/815482329.db2.gz 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812067423 /nfs/dbraw/zinc/06/74/23/812067423.db2.gz IYKWSQSIKYVZRC-LSDHHAIUSA-N 0 3 282.428 2.300 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3c(C)cc(C)cc3C)C[C@@H]2C1 ZINC001049203114 812085693 /nfs/dbraw/zinc/08/56/93/812085693.db2.gz QGOUDJKMAHTULB-CALCHBBNSA-N 0 3 296.414 2.249 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C3C[C@@H](C)C[C@H](C)C3)C[C@@H]2C1 ZINC001049240228 812090594 /nfs/dbraw/zinc/09/05/94/812090594.db2.gz ANNBZBSARKWWJT-NXNVCVFFSA-N 0 3 288.435 2.082 20 30 CEEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ncoc1C ZINC001049348305 812126597 /nfs/dbraw/zinc/12/65/97/812126597.db2.gz BWOPNLVYKFOQFZ-ZIAGYGMSSA-N 0 3 289.379 2.238 20 30 CEEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCC1CC1 ZINC001049385240 812134535 /nfs/dbraw/zinc/13/45/35/812134535.db2.gz AJMBQXWZQCEZNC-HOTGVXAUSA-N 0 3 274.408 2.265 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCC1CC1 ZINC001049385241 812134890 /nfs/dbraw/zinc/13/48/90/812134890.db2.gz AJMBQXWZQCEZNC-HZPDHXFCSA-N 0 3 274.408 2.265 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)n1cccc1 ZINC001049420935 812143311 /nfs/dbraw/zinc/14/33/11/812143311.db2.gz AAPAQBMHDYBAEM-BZUAXINKSA-N 0 3 287.407 2.300 20 30 CEEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)ccn1C ZINC001049440906 812146471 /nfs/dbraw/zinc/14/64/71/812146471.db2.gz WCYFRAPENSHPKG-CVEARBPZSA-N 0 3 299.418 2.036 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc[nH]c1CC ZINC001049455014 812149521 /nfs/dbraw/zinc/14/95/21/812149521.db2.gz WGEMDIRNPQTOFR-CVEARBPZSA-N 0 3 287.407 2.442 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc[nH]c1CC ZINC001049455467 812149873 /nfs/dbraw/zinc/14/98/73/812149873.db2.gz ZQSLRAKZKDILGR-IAGOWNOFSA-N 0 3 299.418 2.279 20 30 CEEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1[nH]ccc1C ZINC001049457539 812150263 /nfs/dbraw/zinc/15/02/63/812150263.db2.gz OSAFMCKLPKFROH-CABCVRRESA-N 0 3 285.391 2.025 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCCOC1)C2 ZINC001096560851 812173718 /nfs/dbraw/zinc/17/37/18/812173718.db2.gz FVMAHCFNYKBTAR-WCVJEAGWSA-N 0 3 292.423 2.101 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1csc(C)n1 ZINC001049674123 812186354 /nfs/dbraw/zinc/18/63/54/812186354.db2.gz SUCLFUYKOMZCFZ-KBPBESRZSA-N 0 3 291.420 2.316 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(CF)CCC1 ZINC001049740381 812201629 /nfs/dbraw/zinc/20/16/29/812201629.db2.gz KWWOTJUOGSTCDY-KGLIPLIRSA-N 0 3 280.387 2.378 20 30 CEEDHN CCCCCCC[C@H](C)C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157538453 812230551 /nfs/dbraw/zinc/23/05/51/812230551.db2.gz MAKKJCPWHCZZPP-XQQFMLRXSA-N 0 3 258.381 2.491 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccsc1)C2 ZINC001096757500 812269435 /nfs/dbraw/zinc/26/94/35/812269435.db2.gz HPHFDLUKNPJOTP-KFWWJZLASA-N 0 3 288.416 2.035 20 30 CEEDHN C=CCC[C@H](C)N1CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC001113658394 812295176 /nfs/dbraw/zinc/29/51/76/812295176.db2.gz SSPHWQXGIBOFSZ-AWEZNQCLSA-N 0 3 275.396 2.056 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1CC)C2 ZINC001097031452 812318010 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C#CCN1CCC[C@H](NC(=O)c2ncoc2C(C)C)CC1 ZINC001052843619 812467250 /nfs/dbraw/zinc/46/72/50/812467250.db2.gz DZKURVZPRFNPRB-ZDUSSCGKSA-N 0 3 289.379 2.016 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001052878721 812471396 /nfs/dbraw/zinc/47/13/96/812471396.db2.gz JKHDGIIYIVVNSL-OKZBNKHCSA-N 0 3 296.414 2.394 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)C2(c3ccccc3)CC2)CC1 ZINC001052915077 812473993 /nfs/dbraw/zinc/47/39/93/812473993.db2.gz ZAKNZMKPIMYENF-QGZVFWFLSA-N 0 3 296.414 2.322 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)C2CCC=CCC2)CC1 ZINC001052942292 812478156 /nfs/dbraw/zinc/47/81/56/812478156.db2.gz BITQMCFZIXJHPT-INIZCTEOSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C1C=CC=CC=C1)C2 ZINC001054140078 812543232 /nfs/dbraw/zinc/54/32/32/812543232.db2.gz ZCSBDPXDLHDUOU-IBGZPJMESA-N 0 3 296.414 2.233 20 30 CEEDHN C[C@H](C(=O)NCCNCc1cccc(C#N)c1)C(C)(C)C ZINC001130289153 812553449 /nfs/dbraw/zinc/55/34/49/812553449.db2.gz LHTUHWCWOKSYHI-CYBMUJFWSA-N 0 3 287.407 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CN(CC(=O)NC1(C#N)CCCCC1)C1CCCC1 ZINC000053814272 343581025 /nfs/dbraw/zinc/58/10/25/343581025.db2.gz BMZMIZRONJIPQR-UHFFFAOYSA-N 0 3 263.385 2.203 20 30 CEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cccc(C#N)c1 ZINC000055401707 343603007 /nfs/dbraw/zinc/60/30/07/343603007.db2.gz RTWUJLANOKZKCQ-ZIAGYGMSSA-N 0 3 285.391 2.408 20 30 CEEDHN C=C[C@H](C)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000128238888 365780949 /nfs/dbraw/zinc/78/09/49/365780949.db2.gz PUABLDHSHQEXKQ-KBPBESRZSA-N 0 3 275.396 2.381 20 30 CEEDHN N#Cc1ccc(OC[C@@H](O)CNCc2ccsc2)cc1 ZINC000057999744 343641601 /nfs/dbraw/zinc/64/16/01/343641601.db2.gz HYXRSCVHDXYTTO-AWEZNQCLSA-N 0 3 288.372 2.149 20 30 CEEDHN CN1CC[C@@]2(CCN(C(=O)Nc3cccc(CC#N)c3)C2)C1 ZINC000334991914 529801649 /nfs/dbraw/zinc/80/16/49/529801649.db2.gz GVOYYTGLEPUIGI-QGZVFWFLSA-N 0 3 298.390 2.312 20 30 CEEDHN C=C(C)CN(CC)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000060943200 343664217 /nfs/dbraw/zinc/66/42/17/343664217.db2.gz DZRZAAJHUGDAOK-INIZCTEOSA-N 0 3 288.391 2.390 20 30 CEEDHN N#Cc1cccc(OCCN(CCO)Cc2ccccc2)c1 ZINC000064845236 343693674 /nfs/dbraw/zinc/69/36/74/343693674.db2.gz QQTIPFKPPVPWQB-UHFFFAOYSA-N 0 3 296.370 2.432 20 30 CEEDHN C#CCN(CCn1c(C)csc1=O)C1CCCCC1 ZINC000065960585 343705323 /nfs/dbraw/zinc/70/53/23/343705323.db2.gz BTRZCQWUWHVFAF-UHFFFAOYSA-N 0 3 278.421 2.486 20 30 CEEDHN C[C@@H](NCCOc1ccccc1C#N)c1cn[nH]c1 ZINC000273920343 192364170 /nfs/dbraw/zinc/36/41/70/192364170.db2.gz BJBBPPTXEPIOEA-LLVKDONJSA-N 0 3 256.309 2.011 20 30 CEEDHN C[C@@H](CCCCO)NCc1cccc(F)c1C#N ZINC000602026490 346963132 /nfs/dbraw/zinc/96/31/32/346963132.db2.gz WXBWJPQIEXUUOP-NSHDSACASA-N 0 3 250.317 2.338 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000067859174 343746431 /nfs/dbraw/zinc/74/64/31/343746431.db2.gz LVIPYKZMFUTFHB-IAGOWNOFSA-N 0 3 282.387 2.004 20 30 CEEDHN COc1ccc(CNC[C@@H](C)SC)cc1C#N ZINC000128079598 187350009 /nfs/dbraw/zinc/35/00/09/187350009.db2.gz VEUGVHDDUACPIT-SNVBAGLBSA-N 0 3 250.367 2.408 20 30 CEEDHN N#CCCCN1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000068344149 343762345 /nfs/dbraw/zinc/76/23/45/343762345.db2.gz FPQYBCUCOOIDCR-CQSZACIVSA-N 0 3 277.412 2.451 20 30 CEEDHN CN(CCOc1ccccc1C#N)C[C@H]1CCCO1 ZINC000048571349 362286412 /nfs/dbraw/zinc/28/64/12/362286412.db2.gz ZLWDSHXVCMKPLX-CQSZACIVSA-N 0 3 260.337 2.048 20 30 CEEDHN CC#CCN(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000081571017 344058551 /nfs/dbraw/zinc/05/85/51/344058551.db2.gz OBWREZFEKZHSRG-CQSZACIVSA-N 0 3 288.391 2.238 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(c2nccc(OC)n2)CC1 ZINC000091510989 344166289 /nfs/dbraw/zinc/16/62/89/344166289.db2.gz OMQLDWZPTYNPKW-CQSZACIVSA-N 0 3 290.411 2.352 20 30 CEEDHN CC(C)C(=O)N1CCCN(C[C@@H](C)CCC#N)CC1 ZINC000602448600 347037568 /nfs/dbraw/zinc/03/75/68/347037568.db2.gz NNBGKUZYDBRFFN-AWEZNQCLSA-N 0 3 265.401 2.117 20 30 CEEDHN CC[C@](C)(CN1CCN(c2ccccc2C#N)CC1)OC ZINC000602438418 347033067 /nfs/dbraw/zinc/03/30/67/347033067.db2.gz QIVNCKQWGDDCAN-QGZVFWFLSA-N 0 3 287.407 2.495 20 30 CEEDHN CN(CCC#N)C(=O)CCNC1(c2ccc(F)cc2)CC1 ZINC000092803893 344204604 /nfs/dbraw/zinc/20/46/04/344204604.db2.gz KROJODSGSYFNPZ-UHFFFAOYSA-N 0 3 289.354 2.167 20 30 CEEDHN N#Cc1ccc(F)c(CN2CCN(c3ccncc3)CC2)c1 ZINC000125232961 344318782 /nfs/dbraw/zinc/31/87/82/344318782.db2.gz IXBBWWRTTMBIMS-UHFFFAOYSA-N 0 3 296.349 2.415 20 30 CEEDHN C[C@@H](CNC(=O)c1ccc(C#N)c(Cl)c1)N(C)C1CC1 ZINC000125954741 344321423 /nfs/dbraw/zinc/32/14/23/344321423.db2.gz BHEBXWCPMAQXBA-JTQLQIEISA-N 0 3 291.782 2.424 20 30 CEEDHN CN1CCC[C@H](CNC(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000126949948 344327242 /nfs/dbraw/zinc/32/72/42/344327242.db2.gz XBWFRQCDQMXJMS-LLVKDONJSA-N 0 3 291.782 2.283 20 30 CEEDHN COC[C@H]1CCCN1Cc1ccc(OC)c(C#N)c1 ZINC000135125592 344380102 /nfs/dbraw/zinc/38/01/02/344380102.db2.gz SCBIFDRJHMCYLT-CQSZACIVSA-N 0 3 260.337 2.178 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)[C@H]1C ZINC000177871433 344502973 /nfs/dbraw/zinc/50/29/73/344502973.db2.gz ZREZFEZFQBEYIZ-MCIONIFRSA-N 0 3 277.412 2.448 20 30 CEEDHN Cc1cc(C#N)ccc1CN[C@H](C)Cn1cccn1 ZINC000165229691 344473817 /nfs/dbraw/zinc/47/38/17/344473817.db2.gz ATLKONFJIDGYGX-CYBMUJFWSA-N 0 3 254.337 2.242 20 30 CEEDHN N#Cc1cc(CNC2(CO)CCCCC2)ccc1F ZINC000225444069 344546140 /nfs/dbraw/zinc/54/61/40/344546140.db2.gz JNOLWKQGVCXCPW-UHFFFAOYSA-N 0 3 262.328 2.482 20 30 CEEDHN CCC[C@H]1CN(C[C@H](C)CCC#N)CCN1CCOC ZINC000602487736 347057086 /nfs/dbraw/zinc/05/70/86/347057086.db2.gz YLUWISQOSKZQJS-CVEARBPZSA-N 0 3 281.444 2.359 20 30 CEEDHN C=CCNC(=O)CN(C)CCCCc1ccccc1 ZINC000052037617 362461532 /nfs/dbraw/zinc/46/15/32/362461532.db2.gz DRWRBJPBUZCJQG-UHFFFAOYSA-N 0 3 260.381 2.243 20 30 CEEDHN C=CCN1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000052158288 362468540 /nfs/dbraw/zinc/46/85/40/362468540.db2.gz ISLNZXAWQAXVMB-UHFFFAOYSA-N 0 3 250.386 2.143 20 30 CEEDHN N#Cc1cccc(CNCCCN2CCc3ccccc32)n1 ZINC000602509614 347061915 /nfs/dbraw/zinc/06/19/15/347061915.db2.gz FLCJKMPWEHCCPE-UHFFFAOYSA-N 0 3 292.386 2.496 20 30 CEEDHN C[C@@H](CNCc1cccc(C#N)n1)N1CCc2ccccc21 ZINC000602513694 347062882 /nfs/dbraw/zinc/06/28/82/347062882.db2.gz ZQGWLBFEEQKZOX-AWEZNQCLSA-N 0 3 292.386 2.494 20 30 CEEDHN COc1ccc2cc(C(C)=NNC(=N)N)ccc2c1 ZINC000252447511 344639282 /nfs/dbraw/zinc/63/92/82/344639282.db2.gz LLCOGTWADJOWEM-UHFFFAOYSA-N 0 3 256.309 2.055 20 30 CEEDHN COc1cccc2c1OC[C@@H](NCc1cccc(C#N)n1)C2 ZINC000602535770 347069341 /nfs/dbraw/zinc/06/93/41/347069341.db2.gz SGHVAVRNLPOFEL-HNNXBMFYSA-N 0 3 295.342 2.055 20 30 CEEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000289680334 344682564 /nfs/dbraw/zinc/68/25/64/344682564.db2.gz HRQYAUBEMVJRAD-OCCSQVGLSA-N 0 3 274.364 2.011 20 30 CEEDHN CC[C@@H](N)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000602525641 347066731 /nfs/dbraw/zinc/06/67/31/347066731.db2.gz BKKPWAWTNBFZLP-OAHLLOKOSA-N 0 3 273.380 2.280 20 30 CEEDHN CC(C)(C#N)CCN[C@@]1(CO)CCc2ccccc21 ZINC000305788726 344710845 /nfs/dbraw/zinc/71/08/45/344710845.db2.gz SQGUWVVOOCVASD-MRXNPFEDSA-N 0 3 258.365 2.350 20 30 CEEDHN CCCN(CC(C)C)C(=O)[C@@H](N)CCCCC#N ZINC000602546915 347071925 /nfs/dbraw/zinc/07/19/25/347071925.db2.gz VBELDMSKFMTIED-ZDUSSCGKSA-N 0 3 253.390 2.292 20 30 CEEDHN CCCN(CC(=O)NCC#N)[C@H]1CCc2ccccc21 ZINC000343032463 344772755 /nfs/dbraw/zinc/77/27/55/344772755.db2.gz GSDCQNVWIUDUAT-HNNXBMFYSA-N 0 3 271.364 2.026 20 30 CEEDHN CN1CC=C(CNC(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000329223057 530047362 /nfs/dbraw/zinc/04/73/62/530047362.db2.gz XJUTYDGRQRMKTO-UHFFFAOYSA-N 0 3 290.754 2.173 20 30 CEEDHN CC[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C1CC1 ZINC000324134442 344754196 /nfs/dbraw/zinc/75/41/96/344754196.db2.gz JDJHANSPHVFQCU-HNNXBMFYSA-N 0 3 292.404 2.110 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000352439876 344803243 /nfs/dbraw/zinc/80/32/43/344803243.db2.gz UWBNJPDLZKPFIC-DOTOQJQBSA-N 0 3 294.439 2.302 20 30 CEEDHN C#Cc1cccc(NC(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000367699788 344815610 /nfs/dbraw/zinc/81/56/10/344815610.db2.gz RTDGUAMEHRXFQH-GOEBONIOSA-N 0 3 283.375 2.226 20 30 CEEDHN C=CCOCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000385427846 344830146 /nfs/dbraw/zinc/83/01/46/344830146.db2.gz KMYBOUNTWSKQCX-LLVKDONJSA-N 0 3 250.298 2.448 20 30 CEEDHN CCN1CCC(NC(=O)Nc2cccc(CC#N)c2)CC1 ZINC000455941290 344905533 /nfs/dbraw/zinc/90/55/33/344905533.db2.gz HECLKOHSGOTCBQ-UHFFFAOYSA-N 0 3 286.379 2.358 20 30 CEEDHN C=CCNC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000505739715 344924160 /nfs/dbraw/zinc/92/41/60/344924160.db2.gz KIPPESQCOOKPSV-VXGBXAGGSA-N 0 3 265.357 2.194 20 30 CEEDHN COC[C@@](C)(O)CN[C@@H](C)c1ccc(C#N)cc1Cl ZINC000584567314 344957860 /nfs/dbraw/zinc/95/78/60/344957860.db2.gz HIROHVHOMMCLLR-HZMBPMFUSA-N 0 3 282.771 2.260 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](NCCOC[C@@H]1CCOC1)CC2 ZINC000589339186 345078256 /nfs/dbraw/zinc/07/82/56/345078256.db2.gz VYUUUMHEXVNHJC-RHSMWYFYSA-N 0 3 286.375 2.188 20 30 CEEDHN N#Cc1cccc(C(=O)N2CCC[C@H]2CN2CCCCC2)n1 ZINC000589383147 345079513 /nfs/dbraw/zinc/07/95/13/345079513.db2.gz DQJILCVZXPSJIS-HNNXBMFYSA-N 0 3 298.390 2.044 20 30 CEEDHN CN(C)CCc1ccccc1NC(=O)c1cccc(C#N)n1 ZINC000589460653 345082567 /nfs/dbraw/zinc/08/25/67/345082567.db2.gz ZFFIKPSWZOKZCZ-UHFFFAOYSA-N 0 3 294.358 2.310 20 30 CEEDHN N#CC1(CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000590153516 345118139 /nfs/dbraw/zinc/11/81/39/345118139.db2.gz HRUXPSXBRVTXSH-INIZCTEOSA-N 0 3 297.402 2.461 20 30 CEEDHN CN1C[C@@H]2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)[C@@H]2C1 ZINC000590046654 345111282 /nfs/dbraw/zinc/11/12/82/345111282.db2.gz MBCBLXGSXRYNOR-IXDOHACOSA-N 0 3 297.402 2.236 20 30 CEEDHN Cc1c(Cl)cnc(N2CCNC(C)(C)C2)c1C#N ZINC000591444516 345256523 /nfs/dbraw/zinc/25/65/23/345256523.db2.gz AFHSLZQVMUHJCH-UHFFFAOYSA-N 0 3 264.760 2.103 20 30 CEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)NCC1(C#N)CC1 ZINC000590940825 345202660 /nfs/dbraw/zinc/20/26/60/345202660.db2.gz XMPSXQABAZDYIF-AWEZNQCLSA-N 0 3 292.427 2.100 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](C2CCC2)C1 ZINC000591062087 345215277 /nfs/dbraw/zinc/21/52/77/345215277.db2.gz VBGVWCDFHPHRPJ-HIFRSBDPSA-N 0 3 277.412 2.117 20 30 CEEDHN N#CC1(NC(=O)CN2CC[C@@H](C3CCC3)C2)CCCCC1 ZINC000591061718 345215346 /nfs/dbraw/zinc/21/53/46/345215346.db2.gz FYTDEKVPXIOASY-OAHLLOKOSA-N 0 3 289.423 2.451 20 30 CEEDHN C[C@@](O)(CN[C@@H]1CCc2cc(C#N)ccc21)C(F)(F)F ZINC000591764286 345278297 /nfs/dbraw/zinc/27/82/97/345278297.db2.gz DJOHIOXGCPJJNO-CHWSQXEVSA-N 0 3 284.281 2.448 20 30 CEEDHN C=CCSCCNC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000591936860 345303192 /nfs/dbraw/zinc/30/31/92/345303192.db2.gz OVAZQTUWHOLZHS-ZDUSSCGKSA-N 0 3 285.457 2.031 20 30 CEEDHN C[C@@H]1CCN(Cc2cnc3c(C#N)cnn3c2)C[C@@H](C)C1 ZINC000592505528 345362194 /nfs/dbraw/zinc/36/21/94/345362194.db2.gz YOKHEAQKYFLIFV-OLZOCXBDSA-N 0 3 283.379 2.469 20 30 CEEDHN C[C@H](CN1CC[C@](O)(CC#N)C1)c1ccc(F)cc1 ZINC000592522016 345365700 /nfs/dbraw/zinc/36/57/00/345365700.db2.gz GQPDWRPFCJJIJU-IUODEOHRSA-N 0 3 262.328 2.280 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NC1(c2cccc(F)c2)CCC1 ZINC000592566902 345369653 /nfs/dbraw/zinc/36/96/53/345369653.db2.gz DQCWZCOXGBPEAC-CQSZACIVSA-N 0 3 289.354 2.342 20 30 CEEDHN CN(CCC(C)(C)C)CC(=O)N(CCC#N)CCC#N ZINC000592144546 345328128 /nfs/dbraw/zinc/32/81/28/345328128.db2.gz MHJNPZVWQACHIH-UHFFFAOYSA-N 0 3 278.400 2.010 20 30 CEEDHN N#CC[C@@]1(O)CCN(CCCc2ccsc2)C1 ZINC000592152020 345331161 /nfs/dbraw/zinc/33/11/61/345331161.db2.gz TXSFOIPHEAOFND-CYBMUJFWSA-N 0 3 250.367 2.031 20 30 CEEDHN COc1ccc(CN2CCC([C@H](C)CO)CC2)cc1C#N ZINC000593082719 345435453 /nfs/dbraw/zinc/43/54/53/345435453.db2.gz JYZFEKWJYRMZAN-CYBMUJFWSA-N 0 3 288.391 2.407 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCc2ccccc2[C@H](C)C1 ZINC000593095434 345437522 /nfs/dbraw/zinc/43/75/22/345437522.db2.gz MFZHMHHXZUSXRF-OAHLLOKOSA-N 0 3 299.418 2.410 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000593518138 345502091 /nfs/dbraw/zinc/50/20/91/345502091.db2.gz USVNCZQHFNDIAE-NWDGAFQWSA-N 0 3 282.384 2.409 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](CC(=O)OC)c1cccs1 ZINC000593397545 345476596 /nfs/dbraw/zinc/47/65/96/345476596.db2.gz XOSOCQQEAKVBJJ-ZJUUUORDSA-N 0 3 280.349 2.018 20 30 CEEDHN CN(C)C1(CN(C)C(=O)NCC2(C#N)CCCC2)CCC1 ZINC000593428671 345483599 /nfs/dbraw/zinc/48/35/99/345483599.db2.gz JMWVBFNFTIRRBR-UHFFFAOYSA-N 0 3 292.427 2.196 20 30 CEEDHN COC(=O)[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1C1CC1 ZINC000593697986 345524278 /nfs/dbraw/zinc/52/42/78/345524278.db2.gz WNHKCCOHSGOIQQ-UONOGXRCSA-N 0 3 290.388 2.251 20 30 CEEDHN CC[C@@H](C#N)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000593744325 345531484 /nfs/dbraw/zinc/53/14/84/345531484.db2.gz DEMTWJKGWLXLJI-YESZJQIVSA-N 0 3 297.402 2.269 20 30 CEEDHN N#Cc1cccc(CN2CCC(C3OCCO3)CC2)c1 ZINC000110084338 232198079 /nfs/dbraw/zinc/19/80/79/232198079.db2.gz JFDDOLNWCNLBOR-UHFFFAOYSA-N 0 3 272.348 2.143 20 30 CEEDHN CO[C@@H]1CCN(Cc2cc(C#N)n(C)c2)CC1(C)C ZINC000295117589 199354017 /nfs/dbraw/zinc/35/40/17/199354017.db2.gz WYPWETSFMMQJLF-CQSZACIVSA-N 0 3 261.369 2.144 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000119515274 232202585 /nfs/dbraw/zinc/20/25/85/232202585.db2.gz BQNVDOVXLNDLRB-AWEZNQCLSA-N 0 3 271.364 2.033 20 30 CEEDHN Cc1cc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)ncc1C#N ZINC000594195960 345596981 /nfs/dbraw/zinc/59/69/81/345596981.db2.gz JLYKXPFMIOSBTK-GOEBONIOSA-N 0 3 298.390 2.008 20 30 CEEDHN CCC(C)(C)N1CCN(C(=O)NCCCCC#N)CC1 ZINC000594218458 345599183 /nfs/dbraw/zinc/59/91/83/345599183.db2.gz NTNAFROYSQBIRV-UHFFFAOYSA-N 0 3 280.416 2.196 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000594253597 345605195 /nfs/dbraw/zinc/60/51/95/345605195.db2.gz RUVZVSGWGJCYGK-CZUORRHYSA-N 0 3 297.402 2.090 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCN(C)C1CC1 ZINC000594343512 345614720 /nfs/dbraw/zinc/61/47/20/345614720.db2.gz PNZWRFLIVIYTML-CQSZACIVSA-N 0 3 299.418 2.289 20 30 CEEDHN N#CCCCCC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000594346517 345614788 /nfs/dbraw/zinc/61/47/88/345614788.db2.gz GQWQAWIFGLBSOY-CQSZACIVSA-N 0 3 263.385 2.203 20 30 CEEDHN CC(C#N)C(=O)N1C[C@H](C)OC2(CCCCC2)C1 ZINC000594415410 345623915 /nfs/dbraw/zinc/62/39/15/345623915.db2.gz ONCZAZVVIIYEMW-RYUDHWBXSA-N 0 3 250.342 2.096 20 30 CEEDHN CC1CC(C#N)(C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000594419753 345624660 /nfs/dbraw/zinc/62/46/60/345624660.db2.gz RCWUHRGFRVJHIZ-IOSBVQAASA-N 0 3 275.396 2.059 20 30 CEEDHN Cc1cc(F)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594424881 345625574 /nfs/dbraw/zinc/62/55/74/345625574.db2.gz DIQLNDURTUJHLC-LBPRGKRZSA-N 0 3 263.316 2.484 20 30 CEEDHN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594426832 345626397 /nfs/dbraw/zinc/62/63/97/345626397.db2.gz FPETYCPYUNNEDO-MCIONIFRSA-N 0 3 265.401 2.483 20 30 CEEDHN CCN(C(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594427122 345626465 /nfs/dbraw/zinc/62/64/65/345626465.db2.gz SXDODNLQGXPFTE-AWEZNQCLSA-N 0 3 259.353 2.451 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000594427163 345626742 /nfs/dbraw/zinc/62/67/42/345626742.db2.gz TVNHRVXJSDWYIN-AWEZNQCLSA-N 0 3 297.362 2.426 20 30 CEEDHN C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594427709 345627439 /nfs/dbraw/zinc/62/74/39/345627439.db2.gz VZAQUXLGBAVEHE-ZFWWWQNUSA-N 0 3 273.380 2.318 20 30 CEEDHN Cc1ccccc1C[C@@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594429133 345627698 /nfs/dbraw/zinc/62/76/98/345627698.db2.gz QYHSEJFGPAZCRK-GDBMZVCRSA-N 0 3 287.407 2.454 20 30 CEEDHN COc1cc(C)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594429869 345627710 /nfs/dbraw/zinc/62/77/10/345627710.db2.gz XOCLEAYALTWIQO-GFCCVEGCSA-N 0 3 275.352 2.353 20 30 CEEDHN C[C@@H](C1CC1)N(C(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000594429620 345627829 /nfs/dbraw/zinc/62/78/29/345627829.db2.gz UWBPUWWDIAYXIZ-SMDDNHRTSA-N 0 3 263.385 2.187 20 30 CEEDHN C[C@@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594430902 345628455 /nfs/dbraw/zinc/62/84/55/345628455.db2.gz CWTSAMOTPNGDDN-OLZOCXBDSA-N 0 3 251.374 2.046 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000594433263 345629349 /nfs/dbraw/zinc/62/93/49/345629349.db2.gz MVIASNHUXGBLTH-YJNKXOJESA-N 0 3 277.412 2.483 20 30 CEEDHN CC1(C)CCCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594434409 345630024 /nfs/dbraw/zinc/63/00/24/345630024.db2.gz ZBPJFSNQAQQXQU-ZDUSSCGKSA-N 0 3 265.401 2.436 20 30 CEEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1nc2ccccc2[nH]1 ZINC000594441040 345631320 /nfs/dbraw/zinc/63/13/20/345631320.db2.gz LMNROIOQKMQYIU-NEPJUHHUSA-N 0 3 299.378 2.151 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc2ccccc2n1 ZINC000594440740 345631540 /nfs/dbraw/zinc/63/15/40/345631540.db2.gz IMDSZAREJBVRLB-OAHLLOKOSA-N 0 3 296.374 2.262 20 30 CEEDHN C[C@@H](CCC1CC1)NC(=O)[C@@H](N)CCCCC#N ZINC000594443727 345631829 /nfs/dbraw/zinc/63/18/29/345631829.db2.gz SOLNYGLUWUNLKJ-AAEUAGOBSA-N 0 3 251.374 2.093 20 30 CEEDHN CC[C@@H]1CCC[C@H](NC(=O)[C@H](N)CCCCC#N)C1 ZINC000594443436 345632093 /nfs/dbraw/zinc/63/20/93/345632093.db2.gz HNOIGYLSEZQLCE-HZSPNIEDSA-N 0 3 265.401 2.483 20 30 CEEDHN CC1(C)CCCC[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594444049 345632158 /nfs/dbraw/zinc/63/21/58/345632158.db2.gz JQYSGVYUUQFTTP-QWHCGFSZSA-N 0 3 265.401 2.483 20 30 CEEDHN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594454955 345634843 /nfs/dbraw/zinc/63/48/43/345634843.db2.gz WNKFNHARXICRBQ-ARFHVFGLSA-N 0 3 285.391 2.378 20 30 CEEDHN CO[C@]1(CNCc2ccc(C(C)(C)C#N)cc2)CCOC1 ZINC000594500325 345639085 /nfs/dbraw/zinc/63/90/85/345639085.db2.gz NWCLZUXPVXHAHD-KRWDZBQOSA-N 0 3 288.391 2.383 20 30 CEEDHN N#Cc1ccc(N[C@H]2CCCN3CCCC[C@@H]23)cn1 ZINC000594601833 345657521 /nfs/dbraw/zinc/65/75/21/345657521.db2.gz OVGRCEMKWHNTIY-GJZGRUSLSA-N 0 3 256.353 2.382 20 30 CEEDHN N#CCc1cccc(NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000594609154 345660260 /nfs/dbraw/zinc/66/02/60/345660260.db2.gz GVZVXDJYRXNPGW-QGZVFWFLSA-N 0 3 285.391 2.418 20 30 CEEDHN CC(C)[C@H](N)C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594625332 345663741 /nfs/dbraw/zinc/66/37/41/345663741.db2.gz HAUWVEFJMBMUQP-AWEZNQCLSA-N 0 3 271.364 2.037 20 30 CEEDHN CC(C)(C#N)c1ccc(CNCCN2CCCC2=O)cc1 ZINC000594514399 345641115 /nfs/dbraw/zinc/64/11/15/345641115.db2.gz WTLGEXVTJYOVHH-UHFFFAOYSA-N 0 3 285.391 2.200 20 30 CEEDHN C[C@@H](N[C@H]1CCc2c(nnn2C)C1)c1ccc(C#N)cc1F ZINC000594519111 345642906 /nfs/dbraw/zinc/64/29/06/345642906.db2.gz CZLUCWQVBXYDDX-PWSUYJOCSA-N 0 3 299.353 2.034 20 30 CEEDHN COC(=O)CC1CC(NCC2(C#N)CCCCC2)C1 ZINC000595091328 345741614 /nfs/dbraw/zinc/74/16/14/345741614.db2.gz PIKXRUPDQINNPM-UHFFFAOYSA-N 0 3 264.369 2.392 20 30 CEEDHN Cc1cc(F)ccc1C[C@H](C)NC(=O)[C@H](N)CCCC#N ZINC000595256106 345749396 /nfs/dbraw/zinc/74/93/96/345749396.db2.gz LKYGCVVRXPEZOA-SWLSCSKDSA-N 0 3 291.370 2.203 20 30 CEEDHN CSCC1(CCNC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000595256516 345749695 /nfs/dbraw/zinc/74/96/95/345749695.db2.gz MSZCUQJFBNKSMD-LBPRGKRZSA-N 0 3 283.441 2.047 20 30 CEEDHN Cc1ccccc1C(F)(F)CNC(=O)[C@H](N)CCCC#N ZINC000595260118 345750882 /nfs/dbraw/zinc/75/08/82/345750882.db2.gz VGIIVHBSBUIPFH-CYBMUJFWSA-N 0 3 295.333 2.224 20 30 CEEDHN CO[C@H](CN(C)Cc1cccc(C#N)c1)[C@H]1CCOC1 ZINC000595289926 345755316 /nfs/dbraw/zinc/75/53/16/345755316.db2.gz RLEHHMNPMGIWQG-JKSUJKDBSA-N 0 3 274.364 2.042 20 30 CEEDHN C=CCSCCNCc1ccnn1-c1ccncc1 ZINC000594918960 345701452 /nfs/dbraw/zinc/70/14/52/345701452.db2.gz DDCTYGWRFOQJSN-UHFFFAOYSA-N 0 3 274.393 2.276 20 30 CEEDHN C[S@](=O)C1(CNCc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594934974 345708298 /nfs/dbraw/zinc/70/82/98/345708298.db2.gz ANLOWSQEUXAJAC-FQEVSTJZSA-N 0 3 288.416 2.242 20 30 CEEDHN CCN(C)C(=O)[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594936843 345709625 /nfs/dbraw/zinc/70/96/25/345709625.db2.gz FMIWWGRRHMXVJV-ZDUSSCGKSA-N 0 3 285.391 2.198 20 30 CEEDHN CCn1cncc1CNCCc1ccc(C#N)cc1 ZINC000594954113 345715248 /nfs/dbraw/zinc/71/52/48/345715248.db2.gz BFWNSJPQGWMRAV-UHFFFAOYSA-N 0 3 254.337 2.107 20 30 CEEDHN C=CCCSCCNCc1cn(C)nc1CC ZINC000594960138 345716995 /nfs/dbraw/zinc/71/69/95/345716995.db2.gz KSWLKYDLIQXJMK-UHFFFAOYSA-N 0 3 253.415 2.381 20 30 CEEDHN C[S@](=O)[C@@H]1CCC[C@@H](NCc2cccc(C#N)c2)C1 ZINC000594962712 345717896 /nfs/dbraw/zinc/71/78/96/345717896.db2.gz GCYUCVSTEWLYRT-CLCXKQKWSA-N 0 3 276.405 2.338 20 30 CEEDHN N#Cc1ccc(CNCCO[C@@H]2CC2(F)F)s1 ZINC000594970514 345719697 /nfs/dbraw/zinc/71/96/97/345719697.db2.gz JBXKAQZJOAGEBM-SNVBAGLBSA-N 0 3 258.293 2.134 20 30 CEEDHN N#CCCCOc1cccc(CNC/C=C/CO)c1 ZINC000594974483 345720226 /nfs/dbraw/zinc/72/02/26/345720226.db2.gz KBWJXHJDKPBDQH-NSCUHMNNSA-N 0 3 260.337 2.007 20 30 CEEDHN C[C@H](Cn1cncn1)N[C@H](CCC#N)c1ccccc1 ZINC000595023254 345729355 /nfs/dbraw/zinc/72/93/55/345729355.db2.gz UIGFFUUIFJSDTB-UKRRQHHQSA-N 0 3 269.352 2.301 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595034264 345731373 /nfs/dbraw/zinc/73/13/73/345731373.db2.gz UASTZDHFAXDQQR-GHMZBOCLSA-N 0 3 280.324 2.191 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@H](CC#N)C1 ZINC000595549945 345810246 /nfs/dbraw/zinc/81/02/46/345810246.db2.gz GERIZRRQVNOEDI-LSDHHAIUSA-N 0 3 292.427 2.196 20 30 CEEDHN C=CCCSCCNC(=O)N[C@H](C)CN1CCCCC1 ZINC000595551059 345810353 /nfs/dbraw/zinc/81/03/53/345810353.db2.gz KNZMAIQSONCWMA-CQSZACIVSA-N 0 3 299.484 2.469 20 30 CEEDHN CC[C@@H](C)N(CC)CC(=O)NC1(C#N)CCCCC1 ZINC000595593664 345820604 /nfs/dbraw/zinc/82/06/04/345820604.db2.gz SGJPEKYXJYMVMA-CYBMUJFWSA-N 0 3 265.401 2.449 20 30 CEEDHN COc1ccc([C@H](C)CN2CCN(CCC#N)CC2)cc1 ZINC000595393094 345773910 /nfs/dbraw/zinc/77/39/10/345773910.db2.gz WEJPSRGJEXWVDB-OAHLLOKOSA-N 0 3 287.407 2.330 20 30 CEEDHN C[C@@H](NCCc1nnn(C(C)(C)C)n1)c1cccc(C#N)c1 ZINC000595414674 345777207 /nfs/dbraw/zinc/77/72/07/345777207.db2.gz JFIUVJOMYLIMIH-GFCCVEGCSA-N 0 3 298.394 2.193 20 30 CEEDHN CO[C@@H](CNC1(c2cccc(C#N)c2)CC1)[C@H]1CCOC1 ZINC000595419489 345777549 /nfs/dbraw/zinc/77/75/49/345777549.db2.gz YTANZZKSQKECCI-HOCLYGCPSA-N 0 3 286.375 2.188 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595501533 345797342 /nfs/dbraw/zinc/79/73/42/345797342.db2.gz MAYYDPKESMPJMT-IJEWVQPXSA-N 0 3 292.427 2.194 20 30 CEEDHN N#Cc1ccc(CN2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c(F)c1 ZINC000595632727 345833245 /nfs/dbraw/zinc/83/32/45/345833245.db2.gz GKQTVGYBBVTFPI-VHDGCEQUSA-N 0 3 274.339 2.290 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000595845662 345897271 /nfs/dbraw/zinc/89/72/71/345897271.db2.gz SNZSAVFWMLRWQF-RWMBFGLXSA-N 0 3 293.411 2.182 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CCC[C@H](C2CCC2)C1)C1CC1 ZINC000595832056 345889465 /nfs/dbraw/zinc/88/94/65/345889465.db2.gz HEAITOFZIBYQHL-WMLDXEAASA-N 0 3 289.423 2.307 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@H]2COC[C@H]2C1 ZINC000595835032 345891493 /nfs/dbraw/zinc/89/14/93/345891493.db2.gz UISGTVYWOMAOMN-DZGCQCFKSA-N 0 3 272.348 2.035 20 30 CEEDHN CN(CCC(=O)Nc1cccc(C#N)c1)CC1=CCCOC1 ZINC000595746760 345865168 /nfs/dbraw/zinc/86/51/68/345865168.db2.gz CSQQQAOVTKXRQA-UHFFFAOYSA-N 0 3 299.374 2.165 20 30 CEEDHN Cn1cc(C[C@H]2CCC[C@@H]2NCC2(C#N)CC2)cn1 ZINC000595768726 345871672 /nfs/dbraw/zinc/87/16/72/345871672.db2.gz GQUVIILWPXDRQL-KGLIPLIRSA-N 0 3 258.369 2.025 20 30 CEEDHN C[C@]1(C#N)CCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000595844500 345897110 /nfs/dbraw/zinc/89/71/10/345897110.db2.gz UEUAGBKJTBAWQM-IAGOWNOFSA-N 0 3 269.392 2.496 20 30 CEEDHN CN(C)[C@H](CNc1c(C#N)cnn1C)c1cccc(F)c1 ZINC000596053334 345928821 /nfs/dbraw/zinc/92/88/21/345928821.db2.gz DRRMONFGNVSNTI-CQSZACIVSA-N 0 3 287.342 2.146 20 30 CEEDHN CC(C)NC(=O)[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000595851826 345899015 /nfs/dbraw/zinc/89/90/15/345899015.db2.gz VAALXMKJYSSVGL-MRXNPFEDSA-N 0 3 285.391 2.295 20 30 CEEDHN CN(C)CCOc1cccc(-c2ccc(C#CCO)nc2)c1 ZINC000623168290 349940719 /nfs/dbraw/zinc/94/07/19/349940719.db2.gz LLLFTIATVHJIEJ-UHFFFAOYSA-N 0 3 296.370 2.033 20 30 CEEDHN C=CCCSCCNC(=O)c1cccc2c1CCNC2 ZINC000595959894 345918138 /nfs/dbraw/zinc/91/81/38/345918138.db2.gz IKGUXGBTAIBHLE-UHFFFAOYSA-N 0 3 290.432 2.371 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CC2CC1(c1ccccc1)C2 ZINC000595985820 345921301 /nfs/dbraw/zinc/92/13/01/345921301.db2.gz BXBOKGYJELYXFI-GNHJJJEISA-N 0 3 283.375 2.155 20 30 CEEDHN N#Cc1cnnc(N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000596071212 345932543 /nfs/dbraw/zinc/93/25/43/345932543.db2.gz LYNDAYAECJYVFU-INIZCTEOSA-N 0 3 293.374 2.019 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNc1c(C#N)cnn1C)C(C)C ZINC000596070974 345932870 /nfs/dbraw/zinc/93/28/70/345932870.db2.gz KFUPNZAXNGLVLB-HNNXBMFYSA-N 0 3 287.411 2.402 20 30 CEEDHN Cc1cccc2c1ncc(C#N)c2N[C@@H]1CCN(C2CC2)C1 ZINC000596090127 345937077 /nfs/dbraw/zinc/93/70/77/345937077.db2.gz LVWVZEATCCCIBG-CQSZACIVSA-N 0 3 292.386 2.485 20 30 CEEDHN Cc1cc(N2CC[C@H](N3CC=CC3)C2)cc(C#N)c1[N+](=O)[O-] ZINC000596139673 345949252 /nfs/dbraw/zinc/94/92/52/345949252.db2.gz DWJQOEFRUZLCHJ-AWEZNQCLSA-N 0 3 298.346 2.225 20 30 CEEDHN C[NH+](C)C1CCC(N=c2[n-]c(C#N)c(Cl)s2)CC1 ZINC000596276960 345989639 /nfs/dbraw/zinc/98/96/39/345989639.db2.gz HKKFKPWLQSFQHV-UHFFFAOYSA-N 0 3 284.816 2.375 20 30 CEEDHN Cc1nnc(NC[C@H]2CCN2C(C)(C)C)c(C#N)c1C ZINC000596309302 345996196 /nfs/dbraw/zinc/99/61/96/345996196.db2.gz YCCILVIRTRYSNI-GFCCVEGCSA-N 0 3 273.384 2.250 20 30 CEEDHN CCN(C(=O)NCC(C)(C)CCC#N)[C@H]1CCN(C)C1 ZINC000596601786 346063388 /nfs/dbraw/zinc/06/33/88/346063388.db2.gz VRCCJGOVYXJIED-ZDUSSCGKSA-N 0 3 280.416 2.052 20 30 CEEDHN Cc1ccc(CN(CCN(C)C)C(=O)[C@H](C)CC#N)o1 ZINC000596972858 346110785 /nfs/dbraw/zinc/11/07/85/346110785.db2.gz LILVYFCAQXUKBI-GFCCVEGCSA-N 0 3 277.368 2.028 20 30 CEEDHN CCN1CCCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000597183228 346143589 /nfs/dbraw/zinc/14/35/89/346143589.db2.gz SGPPWMVAIYNUKV-UHFFFAOYSA-N 0 3 277.412 2.405 20 30 CEEDHN C[C@H]1CCN(CCNC(=O)CC2(C#N)CCCCC2)C1 ZINC000597324826 346172050 /nfs/dbraw/zinc/17/20/50/346172050.db2.gz HAMLCAUCMYVPMD-AWEZNQCLSA-N 0 3 277.412 2.309 20 30 CEEDHN C[C@H]1CN(Cc2cc(C#N)cs2)C[C@H](C)C1O ZINC000597206480 346148943 /nfs/dbraw/zinc/14/89/43/346148943.db2.gz SJLMHSHDEDJVOK-UWVGGRQHSA-N 0 3 250.367 2.068 20 30 CEEDHN C=CCCC(C)(C)NCc1cn(C)nc1C(=O)OCC ZINC000597244782 346160672 /nfs/dbraw/zinc/16/06/72/346160672.db2.gz RMDFBUBRCWLIKR-UHFFFAOYSA-N 0 3 279.384 2.431 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)C(C)(C)CO ZINC000597575946 346203090 /nfs/dbraw/zinc/20/30/90/346203090.db2.gz AOVHDNANHIWRGH-YPMHNXCESA-N 0 3 260.337 2.022 20 30 CEEDHN C[C@@H](CC#N)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000597823490 346236277 /nfs/dbraw/zinc/23/62/77/346236277.db2.gz REHSRMOKXLAZKK-YOEHRIQHSA-N 0 3 285.391 2.317 20 30 CEEDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc(C#N)cc1)C2 ZINC000597714271 346220052 /nfs/dbraw/zinc/22/00/52/346220052.db2.gz HQROFDGIGOUTRQ-KRWDZBQOSA-N 0 3 283.375 2.116 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1cccs1)C(C)(C)CO ZINC000597847260 346238121 /nfs/dbraw/zinc/23/81/21/346238121.db2.gz SJWSQDOJCLQKNP-ONGXEEELSA-N 0 3 266.366 2.084 20 30 CEEDHN CC1(C)C[C@H](NC(=O)C(C#N)CCc2ccccc2)CO1 ZINC000597863735 346241747 /nfs/dbraw/zinc/24/17/47/346241747.db2.gz HTTZAINOXOSOFH-GJZGRUSLSA-N 0 3 286.375 2.443 20 30 CEEDHN C[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)N1CCCCCC1 ZINC000597914430 346252056 /nfs/dbraw/zinc/25/20/56/346252056.db2.gz VZNDVIQJJBEOFR-GJZGRUSLSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCCSCCNC(=O)[C@@H]1CCCN1CCC ZINC000597972480 346260861 /nfs/dbraw/zinc/26/08/61/346260861.db2.gz SPPDPCWFBQWKGM-ZDUSSCGKSA-N 0 3 270.442 2.286 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](OC1CCCC1)C(F)(F)F ZINC000597977542 346262189 /nfs/dbraw/zinc/26/21/89/346262189.db2.gz JQNCQOKDEVFUNK-WPRPVWTQSA-N 0 3 278.274 2.152 20 30 CEEDHN C[C@H](C#N)N(C(=O)CCN1CCc2ccccc2C1)C1CC1 ZINC000598135701 346297958 /nfs/dbraw/zinc/29/79/58/346297958.db2.gz AUAOVVVGSPGENB-CQSZACIVSA-N 0 3 297.402 2.338 20 30 CEEDHN C[C@]12COC[C@H]1CN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000598225118 346310949 /nfs/dbraw/zinc/31/09/49/346310949.db2.gz LOTKAKNJNNAVCQ-NUJGCVRESA-N 0 3 298.386 2.254 20 30 CEEDHN CC(C#N)C(=O)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598573676 346376382 /nfs/dbraw/zinc/37/63/82/346376382.db2.gz OPGSNRGWUJYSHL-WCQYABFASA-N 0 3 255.321 2.295 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)[C@H](C#N)CCc2ccccc2)CCN1 ZINC000598571994 346376486 /nfs/dbraw/zinc/37/64/86/346376486.db2.gz JPKFHZMIURIZGB-DLBZAZTESA-N 0 3 299.418 2.215 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)CCN1 ZINC000598574546 346376996 /nfs/dbraw/zinc/37/69/96/346376996.db2.gz ROKQASQIFPCIEW-CQSZACIVSA-N 0 3 291.782 2.282 20 30 CEEDHN Cc1nn(C)cc1[C@H]1CCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598592872 346379767 /nfs/dbraw/zinc/37/97/67/346379767.db2.gz MNTNWHDOCALGPV-DZGCQCFKSA-N 0 3 290.411 2.166 20 30 CEEDHN C[C@H](c1ccncc1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598599850 346381881 /nfs/dbraw/zinc/38/18/81/346381881.db2.gz QSGZXEVTJPTPFJ-TZMCWYRMSA-N 0 3 261.369 2.375 20 30 CEEDHN COc1cnccc1[C@@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598605863 346383211 /nfs/dbraw/zinc/38/32/11/346383211.db2.gz DKJZVNICQIMPGD-VXGBXAGGSA-N 0 3 277.368 2.042 20 30 CEEDHN Cc1noc(C)c1C(C)(C)NC[C@@H](O)CC(C)(C)C#N ZINC000598617784 346384521 /nfs/dbraw/zinc/38/45/21/346384521.db2.gz VSUFVEFQSQPBNW-LBPRGKRZSA-N 0 3 279.384 2.417 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC=C(c2ccccn2)C1 ZINC000598619842 346385377 /nfs/dbraw/zinc/38/53/77/346385377.db2.gz XXLCOQRVVAHJDC-OAHLLOKOSA-N 0 3 285.391 2.471 20 30 CEEDHN N#Cc1cccc(C2(NCCOC3CCOCC3)CC2)c1 ZINC000599357440 346505773 /nfs/dbraw/zinc/50/57/73/346505773.db2.gz UPCPLFWQYPBOBE-UHFFFAOYSA-N 0 3 286.375 2.333 20 30 CEEDHN Cc1ccc(CN2C[C@@H](N3CCOCC3)C[C@H]2C)cc1C#N ZINC000599415431 346515516 /nfs/dbraw/zinc/51/55/16/346515516.db2.gz OQUKNOSQLATADZ-QAPCUYQASA-N 0 3 299.418 2.162 20 30 CEEDHN Cc1ccc(CNC2(CO)CCSCC2)cc1C#N ZINC000599437162 346520410 /nfs/dbraw/zinc/52/04/10/346520410.db2.gz GGYNVCQYTAMIJB-UHFFFAOYSA-N 0 3 276.405 2.214 20 30 CEEDHN N#CCc1cccc2c1CCN(CCCN1CCCC1=O)C2 ZINC000599678993 346562221 /nfs/dbraw/zinc/56/22/21/346562221.db2.gz NKFYEVSAPOGOFW-UHFFFAOYSA-N 0 3 297.402 2.123 20 30 CEEDHN Cc1cncc(CCN2CCc3c(CC#N)cccc3C2)n1 ZINC000599678954 346562390 /nfs/dbraw/zinc/56/23/90/346562390.db2.gz ULIGMDFEVWAQTH-UHFFFAOYSA-N 0 3 292.386 2.452 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC(N2CCOCC2)CC1 ZINC000599472183 346525921 /nfs/dbraw/zinc/52/59/21/346525921.db2.gz BWVSNRUPKNRVPW-UHFFFAOYSA-N 0 3 299.418 2.163 20 30 CEEDHN C=CCOCCNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000599628871 346548801 /nfs/dbraw/zinc/54/88/01/346548801.db2.gz BZUDNSUKTAUVHU-UHFFFAOYSA-N 0 3 286.375 2.356 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599638779 346550958 /nfs/dbraw/zinc/55/09/58/346550958.db2.gz QZYYJCPYPPZXDZ-DOTOQJQBSA-N 0 3 286.375 2.161 20 30 CEEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCC(=O)N(C)C1 ZINC000600179237 346616781 /nfs/dbraw/zinc/61/67/81/346616781.db2.gz WKMLQRBSABGYCJ-INIZCTEOSA-N 0 3 297.402 2.294 20 30 CEEDHN CCC(C#N)(CC)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600470949 346642718 /nfs/dbraw/zinc/64/27/18/346642718.db2.gz QEDOGDKHLBWIMD-AWEZNQCLSA-N 0 3 277.412 2.449 20 30 CEEDHN N#CC1(C[C@@H](O)CNCc2ccc(F)cc2F)CC1 ZINC000600717815 346677059 /nfs/dbraw/zinc/67/70/59/346677059.db2.gz NWRJNAYHJIONIX-GFCCVEGCSA-N 0 3 266.291 2.109 20 30 CEEDHN CC(C)Oc1cc(CNC[C@@H](O)CC2(C#N)CC2)ccn1 ZINC000600729612 346679568 /nfs/dbraw/zinc/67/95/68/346679568.db2.gz WANSGFCMLADFBS-AWEZNQCLSA-N 0 3 289.379 2.013 20 30 CEEDHN COc1cc(C)cc(CNC[C@@H](O)CC2(C#N)CC2)c1 ZINC000600725994 346679587 /nfs/dbraw/zinc/67/95/87/346679587.db2.gz GPRBBUWKFRMVQR-AWEZNQCLSA-N 0 3 274.364 2.148 20 30 CEEDHN Cc1cccc2c1OCC[C@H]2NC[C@@H](O)CC1(C#N)CC1 ZINC000600735424 346681473 /nfs/dbraw/zinc/68/14/73/346681473.db2.gz TUNNEXMJLNAZMA-DZGCQCFKSA-N 0 3 286.375 2.463 20 30 CEEDHN N#CC1(CNC[C@H](O)CC(F)(F)F)CCCCC1 ZINC000600757283 346685011 /nfs/dbraw/zinc/68/50/11/346685011.db2.gz TXGUCRNAQCANPU-SNVBAGLBSA-N 0 3 264.291 2.363 20 30 CEEDHN C[C@@H](CN(C)C(=O)[C@H](N)CCCC#N)C(C)(C)C ZINC000602626156 347109529 /nfs/dbraw/zinc/10/95/29/347109529.db2.gz QDOILKDOMHGVMS-NWDGAFQWSA-N 0 3 253.390 2.148 20 30 CEEDHN N#CC1(CNC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000602642091 347118836 /nfs/dbraw/zinc/11/88/36/347118836.db2.gz HYDZUTLXSQOJNP-AWEZNQCLSA-N 0 3 255.365 2.406 20 30 CEEDHN CC[C@@H]1CN(C[C@H](C)CCC#N)C[C@]2(CCOC2)O1 ZINC000602644912 347121049 /nfs/dbraw/zinc/12/10/49/347121049.db2.gz PFNBPEPQBXQZHH-KFWWJZLASA-N 0 3 266.385 2.196 20 30 CEEDHN C[C@@H](CCC#N)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000602673434 347135886 /nfs/dbraw/zinc/13/58/86/347135886.db2.gz UTUPXFNDFHZISS-DZGCQCFKSA-N 0 3 284.363 2.346 20 30 CEEDHN CC(C)[C@@H]1C[C@H](CNCc2cccc(C#N)n2)CCO1 ZINC000602683409 347143372 /nfs/dbraw/zinc/14/33/72/347143372.db2.gz AMRIWNLXPCTCHW-CJNGLKHVSA-N 0 3 273.380 2.494 20 30 CEEDHN COC[C@H]1CCCN(Cc2cccc(C#N)n2)CC1 ZINC000602686137 347145938 /nfs/dbraw/zinc/14/59/38/347145938.db2.gz PCDRMLDOUYBBTI-ZDUSSCGKSA-N 0 3 259.353 2.202 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCN(c3ccc(F)cc3)C2)n1 ZINC000602691537 347150159 /nfs/dbraw/zinc/15/01/59/347150159.db2.gz DHEUMXJPCYSYQZ-INIZCTEOSA-N 0 3 296.349 2.461 20 30 CEEDHN CC(C)(CN1CC[C@](O)(CC#N)C1)Oc1ccccc1 ZINC000602697375 347153695 /nfs/dbraw/zinc/15/36/95/347153695.db2.gz OZXJVHMPFXKSJO-MRXNPFEDSA-N 0 3 274.364 2.194 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2COc3cc(F)ccc3C2)n1 ZINC000602707909 347162144 /nfs/dbraw/zinc/16/21/44/347162144.db2.gz CQUYYHVUCCYVIB-HNNXBMFYSA-N 0 3 283.306 2.186 20 30 CEEDHN COc1ccnc(CNC[C@@H](C)CCC#N)c1F ZINC000602711069 347164569 /nfs/dbraw/zinc/16/45/69/347164569.db2.gz NRDMZLCLMHBXFQ-JTQLQIEISA-N 0 3 251.305 2.259 20 30 CEEDHN N#Cc1cccc(CN2CCCCC[C@@H]2CCO)n1 ZINC000602652966 347124918 /nfs/dbraw/zinc/12/49/18/347124918.db2.gz LLTVXNXWHJOMAK-OAHLLOKOSA-N 0 3 259.353 2.080 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)NCC1(N(C)C)CC1 ZINC000602817859 347211478 /nfs/dbraw/zinc/21/14/78/347211478.db2.gz UXKQWPNCMZIDLS-UHFFFAOYSA-N 0 3 272.352 2.082 20 30 CEEDHN COC(=O)c1oc(CNC[C@@H](C)CCC#N)cc1C ZINC000602745253 347183536 /nfs/dbraw/zinc/18/35/36/347183536.db2.gz XPRCTLPYTVXDJI-JTQLQIEISA-N 0 3 264.325 2.404 20 30 CEEDHN N#CCCN1CCN(C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000602748508 347184425 /nfs/dbraw/zinc/18/44/25/347184425.db2.gz NPRLINVHLVTDFF-KRWDZBQOSA-N 0 3 298.434 2.044 20 30 CEEDHN C[C@H]1OCC[C@@H]1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000602827277 347215780 /nfs/dbraw/zinc/21/57/80/347215780.db2.gz XNTXLMOXGAMTSP-HUUCEWRRSA-N 0 3 285.391 2.364 20 30 CEEDHN CC(C)(NC[C@H]1CCc2ncnn21)c1cccc(C#N)c1 ZINC000602880914 347237018 /nfs/dbraw/zinc/23/70/18/347237018.db2.gz SHCITLPAPDPUDP-CQSZACIVSA-N 0 3 281.363 2.162 20 30 CEEDHN C=CC[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602881674 347237331 /nfs/dbraw/zinc/23/73/31/347237331.db2.gz GKODOKMYRBCHAH-ZDUSSCGKSA-N 0 3 278.356 2.388 20 30 CEEDHN Cn1cc(C2=CCCN([C@H]3CC[C@@H](C#N)C3)C2)cn1 ZINC000602883816 347237999 /nfs/dbraw/zinc/23/79/99/347237999.db2.gz ROZLVEKFIQOOEL-DOMZBBRYSA-N 0 3 256.353 2.201 20 30 CEEDHN Cc1nn(C)cc1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602906731 347243325 /nfs/dbraw/zinc/24/33/25/347243325.db2.gz NEPGVKFNSYDSIO-UHFFFAOYSA-N 0 3 295.390 2.375 20 30 CEEDHN N#CCCCN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000603147436 347298089 /nfs/dbraw/zinc/29/80/89/347298089.db2.gz XJOHHZXBJUUXIS-OLZOCXBDSA-N 0 3 286.297 2.414 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)nc1 ZINC000602997794 347270414 /nfs/dbraw/zinc/27/04/14/347270414.db2.gz QTCLHHMBTGMVRJ-JYJNAYRXSA-N 0 3 271.364 2.079 20 30 CEEDHN COCc1cc(C#N)ccc1N1CCN(C2CCC2)CC1 ZINC000603295895 347330070 /nfs/dbraw/zinc/33/00/70/347330070.db2.gz ROBSLXSTOYYLBR-UHFFFAOYSA-N 0 3 285.391 2.379 20 30 CEEDHN CN(CCCN(C)c1ccc(C#N)cn1)Cc1ccncc1 ZINC000603399075 347358863 /nfs/dbraw/zinc/35/88/63/347358863.db2.gz FEIDRBSLGJFJNZ-UHFFFAOYSA-N 0 3 295.390 2.307 20 30 CEEDHN CC(C)[C@H](N)c1cn(Cc2ccc(CC#N)cc2)nn1 ZINC000603221198 347313021 /nfs/dbraw/zinc/31/30/21/347313021.db2.gz BOMJJRQEYHWAOW-HNNXBMFYSA-N 0 3 269.352 2.048 20 30 CEEDHN CC(C)[C@H](N)c1cn([C@H](C)c2cccc(C#N)c2)nn1 ZINC000603231932 347317610 /nfs/dbraw/zinc/31/76/10/347317610.db2.gz DLHOOWNCDDYZOO-ABAIWWIYSA-N 0 3 269.352 2.415 20 30 CEEDHN C[C@@H](Cc1cccs1)NCc1cnc2c(C#N)cnn2c1 ZINC000603893182 347396707 /nfs/dbraw/zinc/39/67/07/347396707.db2.gz RTBLCAKRHICBDP-NSHDSACASA-N 0 3 297.387 2.383 20 30 CEEDHN N#CCN1CCC(NCc2cccc(F)c2F)CC1 ZINC000609353901 347636243 /nfs/dbraw/zinc/63/62/43/347636243.db2.gz APKUMAHUWPSXOM-UHFFFAOYSA-N 0 3 265.307 2.042 20 30 CEEDHN COc1cc(CN(C)C(=O)C(C)C#N)ccc1OC(F)F ZINC000609920455 347655785 /nfs/dbraw/zinc/65/57/85/347655785.db2.gz NCNMMOYBFLPPIZ-VIFPVBQESA-N 0 3 298.289 2.415 20 30 CEEDHN N#CCN1CCC(NCc2cc(F)c(F)cc2F)CC1 ZINC000610860064 347718473 /nfs/dbraw/zinc/71/84/73/347718473.db2.gz XTNHOGDEGWZZLG-UHFFFAOYSA-N 0 3 283.297 2.181 20 30 CEEDHN N#CCN1CCC(NCc2cscc2Cl)CC1 ZINC000610930548 347723354 /nfs/dbraw/zinc/72/33/54/347723354.db2.gz MIJAYOZNLODCRP-UHFFFAOYSA-N 0 3 269.801 2.479 20 30 CEEDHN COc1cccc(-c2n[nH]cc2CNCCCC#N)c1 ZINC000612191920 347855264 /nfs/dbraw/zinc/85/52/64/347855264.db2.gz ALCSAGADGRKICL-UHFFFAOYSA-N 0 3 270.336 2.479 20 30 CEEDHN C=C[C@](C)(O)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000613838352 348112711 /nfs/dbraw/zinc/11/27/11/348112711.db2.gz AQDWWDGKSHMXQL-KMFMINBZSA-N 0 3 290.407 2.039 20 30 CEEDHN C[C@@H](CCN1C(=O)c2ccccc2C1=O)NCC(C)(C)C#N ZINC000613620698 348080354 /nfs/dbraw/zinc/08/03/54/348080354.db2.gz WFLIQQWDWUVABX-LBPRGKRZSA-N 0 3 299.374 2.201 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1[C@@H](C)CCC[C@@H]1C ZINC000066531870 362872310 /nfs/dbraw/zinc/87/23/10/362872310.db2.gz MBVOOGJXONFFBS-KBPBESRZSA-N 0 3 250.386 2.450 20 30 CEEDHN CC(C)[C@@H](CNC[C@H](C#N)CCC#N)c1ccnn1C ZINC000615939846 348417589 /nfs/dbraw/zinc/41/75/89/348417589.db2.gz ZFBJOWMWJPGDJH-UONOGXRCSA-N 0 3 273.384 2.193 20 30 CEEDHN N#Cc1ccc(CN2CCN(c3ccncc3)CC2)cc1F ZINC000616760901 348572854 /nfs/dbraw/zinc/57/28/54/348572854.db2.gz OYSHEADLVOKDGS-UHFFFAOYSA-N 0 3 296.349 2.415 20 30 CEEDHN C=CCN(C(=O)[C@@H](CC)N(CC)CC)[C@H](C)COC ZINC000617580509 348742905 /nfs/dbraw/zinc/74/29/05/348742905.db2.gz ZOXJQESENCNYLV-ZIAGYGMSSA-N 0 3 270.417 2.156 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1n[nH]cc1C)C(C)C ZINC000669604513 539686241 /nfs/dbraw/zinc/68/62/41/539686241.db2.gz GKQQYEFKVVXSAI-CQSZACIVSA-N 0 3 290.411 2.147 20 30 CEEDHN N#C[C@H]1CCC[C@H](NCc2ccc3c(c2)C(=O)NCC3)C1 ZINC000618575600 348980144 /nfs/dbraw/zinc/98/01/44/348980144.db2.gz SKBXYCWDYGBVRF-WFASDCNBSA-N 0 3 283.375 2.144 20 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279.428 2.468 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000623708766 350087704 /nfs/dbraw/zinc/08/77/04/350087704.db2.gz UNZPBOHSZIJOPJ-LSDHHAIUSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000623719223 350091999 /nfs/dbraw/zinc/09/19/99/350091999.db2.gz MDFZTQJUCYOJGW-LBPRGKRZSA-N 0 3 265.401 2.125 20 30 CEEDHN C#CCOc1cc(F)ccc1NC1CCN(C)CC1 ZINC000271341469 191084300 /nfs/dbraw/zinc/08/43/00/191084300.db2.gz JUDORBPDSMHTRF-UHFFFAOYSA-N 0 3 262.328 2.344 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@H](O)Cc1ccccc1 ZINC000105493557 186060324 /nfs/dbraw/zinc/06/03/24/186060324.db2.gz JAWDOQWUMURMLS-SFHVURJKSA-N 0 3 295.382 2.392 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N[C@H]1CCN(CCC)C1 ZINC000624380512 350275612 /nfs/dbraw/zinc/27/56/12/350275612.db2.gz JHZFNBCRLIDUSA-ZDUSSCGKSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)NC[C@@H]2CCCN2C)C1 ZINC000624939688 350384399 /nfs/dbraw/zinc/38/43/99/350384399.db2.gz ODGVRKKTMQUBJY-KBPBESRZSA-N 0 3 265.401 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CEEDHN CN1CCC2(CCCN2C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000329557730 282728659 /nfs/dbraw/zinc/72/86/59/282728659.db2.gz BYZWKZTWIMGRHN-ZIAGYGMSSA-N 0 3 290.411 2.153 20 30 CEEDHN C[C@H](O)[C@@H]1CCCCN1CCOc1ccc(C#N)cc1 ZINC000069876922 363010077 /nfs/dbraw/zinc/01/00/77/363010077.db2.gz PXQOAMJOXDAKAD-BBRMVZONSA-N 0 3 274.364 2.172 20 30 CEEDHN C=CCCOCC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000628546428 351135465 /nfs/dbraw/zinc/13/54/65/351135465.db2.gz XAGSNCFLWINQHP-OAHLLOKOSA-N 0 3 280.412 2.102 20 30 CEEDHN C#CCCN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000070246186 363060342 /nfs/dbraw/zinc/06/03/42/363060342.db2.gz TZBIGCSDSUCUDW-NSHDSACASA-N 0 3 263.337 2.386 20 30 CEEDHN C=CCCCN(C)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000131400746 366049653 /nfs/dbraw/zinc/04/96/53/366049653.db2.gz WMZZSWZZYMTFLZ-UHFFFAOYSA-N 0 3 296.436 2.335 20 30 CEEDHN C=CCN1CC[C@H](N2CCS[C@@H]3CCCC[C@@H]32)C1=O ZINC000337183082 366060095 /nfs/dbraw/zinc/06/00/95/366060095.db2.gz NDFPVKXDCNRPPT-MELADBBJSA-N 0 3 280.437 2.133 20 30 CEEDHN C=CCNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000630408196 351730361 /nfs/dbraw/zinc/73/03/61/351730361.db2.gz POWBFRDBOZHWJI-HNNXBMFYSA-N 0 3 273.380 2.055 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@@H]2C[C@H](OC)C2(CC)CC)C1=O ZINC000337189404 366065076 /nfs/dbraw/zinc/06/50/76/366065076.db2.gz RMQSXQIRBJFAAT-ZNMIVQPWSA-N 0 3 294.439 2.299 20 30 CEEDHN C=CCN1CC[C@H](N2C[C@H](C)CC(C)(C)C2)C1=O ZINC000337205807 366074452 /nfs/dbraw/zinc/07/44/52/366074452.db2.gz LGKCJBSFUGESCE-OLZOCXBDSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCN1CC[C@@H](N2CC[C@@H](C)C(C)(C)C2)C1=O ZINC000337214649 366081629 /nfs/dbraw/zinc/08/16/29/366081629.db2.gz XSPSIKURQYTRAV-CHWSQXEVSA-N 0 3 250.386 2.141 20 30 CEEDHN C[C@H]1C[C@H](N(C)C(=O)CCc2ccc(C#N)cc2)CCN1C ZINC000123616014 187100945 /nfs/dbraw/zinc/10/09/45/187100945.db2.gz HOIBVXKPPYUBFD-WMLDXEAASA-N 0 3 299.418 2.432 20 30 CEEDHN C=CCC[C@H](O)CN1CCc2ccc(OC)cc2C1 ZINC000123838576 187110738 /nfs/dbraw/zinc/11/07/38/187110738.db2.gz GLELEDQRZAITSD-HNNXBMFYSA-N 0 3 261.365 2.380 20 30 CEEDHN C=CCN1CCC(NC(=O)c2coc(SC)c2)CC1 ZINC000630942287 351896218 /nfs/dbraw/zinc/89/62/18/351896218.db2.gz IGUNHGHJNPZHCW-UHFFFAOYSA-N 0 3 280.393 2.382 20 30 CEEDHN C=C(C)CCNCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631148536 351987021 /nfs/dbraw/zinc/98/70/21/351987021.db2.gz FZCIRBUHWXVAKD-UHFFFAOYSA-N 0 3 288.800 2.043 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000631150822 351988411 /nfs/dbraw/zinc/98/84/11/351988411.db2.gz VQUFNQWBNBOMJL-CQSZACIVSA-N 0 3 262.397 2.430 20 30 CEEDHN N#Cc1ccc(O[C@H]2CCN(CCc3ccncc3)C2)nc1 ZINC000292250396 198217665 /nfs/dbraw/zinc/21/76/65/198217665.db2.gz QTLBWEXBFRALPU-INIZCTEOSA-N 0 3 294.358 2.044 20 30 CEEDHN Cc1csc(=O)n1CCN[C@H](C)c1ccc(C#N)cc1 ZINC000271658775 191264328 /nfs/dbraw/zinc/26/43/28/191264328.db2.gz KRXADOZVHUGQPW-GFCCVEGCSA-N 0 3 287.388 2.441 20 30 CEEDHN C#CCSCCNCc1ccc(OCCOC)cc1 ZINC000152943276 188055367 /nfs/dbraw/zinc/05/53/67/188055367.db2.gz YPBATMULUVKSAB-UHFFFAOYSA-N 0 3 279.405 2.168 20 30 CEEDHN CC#CCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000154437981 188142574 /nfs/dbraw/zinc/14/25/74/188142574.db2.gz MUKHSBGEBRECGR-UHFFFAOYSA-N 0 3 270.332 2.248 20 30 CEEDHN C[C@@H](CN(C)C)Nc1nc2c(cc1C#N)CCCC2 ZINC000158072884 188355243 /nfs/dbraw/zinc/35/52/43/188355243.db2.gz CVCVQPMJCYZHAG-NSHDSACASA-N 0 3 258.369 2.194 20 30 CEEDHN CCCc1nccn1CC(=O)C(C#N)c1nc(C)cs1 ZINC000158114888 188358531 /nfs/dbraw/zinc/35/85/31/188358531.db2.gz PADHQKYSNLUAAA-NSHDSACASA-N 0 3 288.376 2.477 20 30 CEEDHN C[C@@H]1CCN(Cc2cnc3c(C#N)cnn3c2)CC1(C)C ZINC000569457379 299203913 /nfs/dbraw/zinc/20/39/13/299203913.db2.gz YVEDHGMOCQOYPK-GFCCVEGCSA-N 0 3 283.379 2.469 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000338121857 366201473 /nfs/dbraw/zinc/20/14/73/366201473.db2.gz VKLSFZJBHOSVNR-ZDUSSCGKSA-N 0 3 283.375 2.247 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)NCC1(N(C)C)CCC1 ZINC000338117951 366197768 /nfs/dbraw/zinc/19/77/68/366197768.db2.gz KTCHRSHOXRYNKT-UHFFFAOYSA-N 0 3 271.364 2.081 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000671244204 540027024 /nfs/dbraw/zinc/02/70/24/540027024.db2.gz RTIFRZKCZIDVOE-MRXNPFEDSA-N 0 3 296.361 2.414 20 30 CEEDHN C[C@H](NC[C@]1(O)CCSC1)c1ccc(C#N)cc1 ZINC000271841133 191360585 /nfs/dbraw/zinc/36/05/85/191360585.db2.gz GWGFVSSUFOWWMJ-SMDDNHRTSA-N 0 3 262.378 2.077 20 30 CEEDHN CCOC(=O)[C@H](C)[C@H](C)NCc1cccc(C#N)c1F ZINC000338296619 366279618 /nfs/dbraw/zinc/27/96/18/366279618.db2.gz OLKHZJAONAQUOQ-MNOVXSKESA-N 0 3 278.327 2.375 20 30 CEEDHN C=CCCCN1CCCN(c2nc(C)ns2)CC1 ZINC000075968025 363502565 /nfs/dbraw/zinc/50/25/65/363502565.db2.gz PNHHKYDDDFBWIZ-UHFFFAOYSA-N 0 3 266.414 2.325 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](NCC1=CCOCC1)CC2 ZINC000334676808 283197491 /nfs/dbraw/zinc/19/74/91/283197491.db2.gz YPQRTXCPGRWVQM-MRXNPFEDSA-N 0 3 254.333 2.482 20 30 CEEDHN N#Cc1csc(CN2CC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000336329556 213175483 /nfs/dbraw/zinc/17/54/83/213175483.db2.gz MEENDRBOHCMTIC-ZDUSSCGKSA-N 0 3 289.404 2.064 20 30 CEEDHN N#Cc1cccnc1N1CC[C@H](N2CCCCC2)C1 ZINC000104177538 283218916 /nfs/dbraw/zinc/21/89/16/283218916.db2.gz IHYJJGYXTNWZPC-AWEZNQCLSA-N 0 3 256.353 2.018 20 30 CEEDHN NC(=O)[C@@H]1CCCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000130876538 283317264 /nfs/dbraw/zinc/31/72/64/283317264.db2.gz BZWAAKISNDKJQE-HUUCEWRRSA-N 0 3 290.794 2.325 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1CCC(O)CC1 ZINC000135102174 366396357 /nfs/dbraw/zinc/39/63/57/366396357.db2.gz IJVGWWNWQHPIEZ-UHFFFAOYSA-N 0 3 258.365 2.444 20 30 CEEDHN CN(C[C@@H]1CCCN1C)c1c(C#N)nnc2ccccc21 ZINC000577851486 366406183 /nfs/dbraw/zinc/40/61/83/366406183.db2.gz BGAWXPFFAABSBF-LBPRGKRZSA-N 0 3 281.363 2.032 20 30 CEEDHN CNC(=O)NC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000334640133 283366589 /nfs/dbraw/zinc/36/65/89/283366589.db2.gz WSDDOAMCGCQASU-LBPRGKRZSA-N 0 3 286.379 2.013 20 30 CEEDHN CC#CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000135594288 366456614 /nfs/dbraw/zinc/45/66/14/366456614.db2.gz QURNLKIYTURDNF-WBVHZDCISA-N 0 3 299.418 2.362 20 30 CEEDHN C[C@H](CNC[C@@H](C#N)CCC#N)N1CCC(C)CC1 ZINC000578316337 366476503 /nfs/dbraw/zinc/47/65/03/366476503.db2.gz XEUFXEQYRQTBIV-HUUCEWRRSA-N 0 3 262.401 2.140 20 30 CEEDHN CN(C)CCN(C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000080164927 363646183 /nfs/dbraw/zinc/64/61/83/363646183.db2.gz ZJXIVPZWRSUNHO-UHFFFAOYSA-N 0 3 280.759 2.237 20 30 CEEDHN CCC#C[C@H](C)N1CC[C@@H](OCc2ccncc2)C1 ZINC000672555585 540626499 /nfs/dbraw/zinc/62/64/99/540626499.db2.gz VCSSPFFPCBKAEH-GOEBONIOSA-N 0 3 258.365 2.474 20 30 CEEDHN Cc1nsc(NC(=O)N(CCN(C)C)C(C)C)c1C#N ZINC000297461646 200198793 /nfs/dbraw/zinc/19/87/93/200198793.db2.gz QDIVCDIGWUCTCY-UHFFFAOYSA-N 0 3 295.412 2.127 20 30 CEEDHN Cc1cc(C)cc(OC[C@@H](O)CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000578859460 366557925 /nfs/dbraw/zinc/55/79/25/366557925.db2.gz OYEYARDBPNUCDK-XHSDSOJGSA-N 0 3 288.391 2.325 20 30 CEEDHN CC(C)COC1CCN(CCOCCC#N)CC1 ZINC000338921987 366572653 /nfs/dbraw/zinc/57/26/53/366572653.db2.gz VPWTXBWIWARKSG-UHFFFAOYSA-N 0 3 254.374 2.054 20 30 CEEDHN Cc1cc(C#N)cc(NC[C@@H](c2ccsc2)N(C)C)n1 ZINC000341740230 216084371 /nfs/dbraw/zinc/08/43/71/216084371.db2.gz DXQOFZGVDBSSSC-AWEZNQCLSA-N 0 3 286.404 2.460 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)c1c(F)cc(C#N)cc1F ZINC000151628344 366656044 /nfs/dbraw/zinc/65/60/44/366656044.db2.gz IDFGLTPOTUGQOT-NSHDSACASA-N 0 3 293.317 2.051 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc(C#N)cs2)CCN1C ZINC000177094892 189028218 /nfs/dbraw/zinc/02/82/18/189028218.db2.gz ANAUUTYAGBYONZ-JQWIXIFHSA-N 0 3 277.393 2.174 20 30 CEEDHN N#Cc1cccc(C2(NCCN3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000341979405 216175940 /nfs/dbraw/zinc/17/59/40/216175940.db2.gz WZAFBAWSAVIAOQ-CALCHBBNSA-N 0 3 297.402 2.000 20 30 CEEDHN CC#CCNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000179311737 189185204 /nfs/dbraw/zinc/18/52/04/189185204.db2.gz HVLXYFFJTCDKJJ-UHFFFAOYSA-N 0 3 299.418 2.016 20 30 CEEDHN CCC#C[C@@H](C)N1CCC(NC(=O)C(C)C)CC1 ZINC000677048472 540976183 /nfs/dbraw/zinc/97/61/83/540976183.db2.gz YSFJFGDHERMFFZ-CYBMUJFWSA-N 0 3 250.386 2.025 20 30 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C#CCN[C@](C)(CNC(=O)OC(C)(C)C)C(C)C ZINC000114488019 364950091 /nfs/dbraw/zinc/95/00/91/364950091.db2.gz NPEKQDTVHQEUIQ-CQSZACIVSA-N 0 3 254.374 2.149 20 30 CEEDHN CC(C)[C@@H]1CN(Cc2cc(C#N)cs2)CCN1C ZINC000335770274 364956566 /nfs/dbraw/zinc/95/65/66/364956566.db2.gz NIJOMZBQVSABRJ-AWEZNQCLSA-N 0 3 263.410 2.392 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000335583524 212295557 /nfs/dbraw/zinc/29/55/57/212295557.db2.gz GWJLDYHVKKQWRY-OAHLLOKOSA-N 0 3 285.391 2.421 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(C)c1C ZINC000115603452 365019788 /nfs/dbraw/zinc/01/97/88/365019788.db2.gz WCANFSXGLNCKRF-ZIAGYGMSSA-N 0 3 258.365 2.092 20 30 CEEDHN C=CC[C@H](C)NC(=O)NCCN(C)Cc1ccccc1 ZINC000116948926 365083641 /nfs/dbraw/zinc/08/36/41/365083641.db2.gz NMYGFQMCKPKURL-AWEZNQCLSA-N 0 3 275.396 2.382 20 30 CEEDHN Cc1cc(CN2CC[C@@]3(CCOC3)C2)ccc1C#N ZINC000336096159 365401626 /nfs/dbraw/zinc/40/16/26/365401626.db2.gz MRGXNXUZSBASKU-MRXNPFEDSA-N 0 3 256.349 2.479 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000336148602 365476288 /nfs/dbraw/zinc/47/62/88/365476288.db2.gz RQBYEQVIUVEJDG-CZUORRHYSA-N 0 3 298.390 2.425 20 30 CEEDHN C[C@@H](C(=O)NCc1cccc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000120633624 365452074 /nfs/dbraw/zinc/45/20/74/365452074.db2.gz XZTAJLXDIWOCMU-MJBXVCDLSA-N 0 3 285.391 2.436 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)/C=C/c1cccc(C#N)c1 ZINC000120875141 365489064 /nfs/dbraw/zinc/48/90/64/365489064.db2.gz DGPYUSSGVWVNDL-KCEHYLLSSA-N 0 3 297.402 2.370 20 30 CEEDHN C=C(Cl)COc1ccc([C@H](C)NCCO)cc1 ZINC000159720794 366941922 /nfs/dbraw/zinc/94/19/22/366941922.db2.gz MXZCTDRNFCFRDO-NSHDSACASA-N 0 3 255.745 2.461 20 30 CEEDHN C[C@@H](O)C[C@@H]1CCCCN1Cc1ccc(C#N)cn1 ZINC000582428491 366911114 /nfs/dbraw/zinc/91/11/14/366911114.db2.gz PRELBCNTQFOPAA-DOMZBBRYSA-N 0 3 259.353 2.079 20 30 CEEDHN CCC#C[C@@H](C)N1CCSC2(CCOCC2)C1 ZINC000681168439 541516530 /nfs/dbraw/zinc/51/65/30/541516530.db2.gz JXFGLCUPESOHRS-CYBMUJFWSA-N 0 3 253.411 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261.344 2.223 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)NCC(C)(C)CC#N ZINC000590931375 367199684 /nfs/dbraw/zinc/19/96/84/367199684.db2.gz PHGQAQVBYYIDPP-CYBMUJFWSA-N 0 3 280.416 2.100 20 30 CEEDHN CCC[C@@]1(CO)CCCN1Cc1ccc(C#N)cn1 ZINC000593981648 367204629 /nfs/dbraw/zinc/20/46/29/367204629.db2.gz PRJHLAUGDRLWBF-HNNXBMFYSA-N 0 3 259.353 2.080 20 30 CEEDHN N#CCCCCC(=O)N1CCN(C2CCCC2)CC1 ZINC000594226461 367206131 /nfs/dbraw/zinc/20/61/31/367206131.db2.gz FDZVAPIWKHWAKO-UHFFFAOYSA-N 0 3 263.385 2.157 20 30 CEEDHN N#CC1(CC(=O)NCCN2CCCC2)CCCCC1 ZINC000596672923 367208093 /nfs/dbraw/zinc/20/80/93/367208093.db2.gz FVOIIXPBXLVPJE-UHFFFAOYSA-N 0 3 263.385 2.063 20 30 CEEDHN C=CC[C@H](CO)CNCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000341258858 367251980 /nfs/dbraw/zinc/25/19/80/367251980.db2.gz LHXMOMQOHPIIRJ-OLZOCXBDSA-N 0 3 291.391 2.293 20 30 CEEDHN N#Cc1cccc(CCNCc2cc(C(N)=O)cs2)c1 ZINC000341457512 367342266 /nfs/dbraw/zinc/34/22/66/367342266.db2.gz KWLMSJXLVMJEHN-UHFFFAOYSA-N 0 3 285.372 2.051 20 30 CEEDHN 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C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccnc(C#N)c1 ZINC000342831974 367561593 /nfs/dbraw/zinc/56/15/93/367561593.db2.gz PYJZZZWHZRDMOO-KSSFIOAISA-N 0 3 292.386 2.308 20 30 CEEDHN C=CCCN(C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000342739335 367509603 /nfs/dbraw/zinc/50/96/03/367509603.db2.gz VTNJVHUNFGDGJY-LLVKDONJSA-N 0 3 278.318 2.295 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000681465852 541552191 /nfs/dbraw/zinc/55/21/91/541552191.db2.gz LFPMTYQCJDOXFN-MRXNPFEDSA-N 0 3 293.382 2.132 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cccnc2)CC1 ZINC000171701954 367599628 /nfs/dbraw/zinc/59/96/28/367599628.db2.gz WNQKLZLLFOXUCX-ZDUSSCGKSA-N 0 3 288.395 2.092 20 30 CEEDHN CC(C)(CNC(=O)N1CCC(C#N)CC1)N1CCCCC1 ZINC000171729183 367603569 /nfs/dbraw/zinc/60/35/69/367603569.db2.gz VXJHLJFOQHNLAV-UHFFFAOYSA-N 0 3 292.427 2.196 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](COCC)C1 ZINC000246255433 260834346 /nfs/dbraw/zinc/83/43/46/260834346.db2.gz UCVNXEMUGQTBQR-HUUCEWRRSA-N 0 3 282.428 2.158 20 30 CEEDHN CCOCCO[C@@H]1CCN(Cc2ccc(CC#N)cc2)C1 ZINC000343420228 367804593 /nfs/dbraw/zinc/80/45/93/367804593.db2.gz MUSVPPXSEIKHBR-QGZVFWFLSA-N 0 3 288.391 2.380 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](C)[C@@H](C)C1 ZINC000245975740 370896437 /nfs/dbraw/zinc/89/64/37/370896437.db2.gz XDALLLJYJZRBEN-KBPBESRZSA-N 0 3 252.402 2.389 20 30 CEEDHN Cc1c(Cl)cnc(NCCN2CCC(C)CC2)c1C#N ZINC000343484299 367841689 /nfs/dbraw/zinc/84/16/89/367841689.db2.gz ZJXIQMCSZTXIEU-UHFFFAOYSA-N 0 3 292.814 2.481 20 30 CEEDHN CN1CCC(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000173867241 367952805 /nfs/dbraw/zinc/95/28/05/367952805.db2.gz VDTYKXVMZFLKHN-UHFFFAOYSA-N 0 3 297.402 2.391 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCC(F)F)C(C)C ZINC000173927422 367961992 /nfs/dbraw/zinc/96/19/92/367961992.db2.gz ZJBHDGCVLHLDDU-LBPRGKRZSA-N 0 3 289.370 2.249 20 30 CEEDHN C[C@@H]1CN(C(C)(C)CNCc2ccc(C#N)o2)C[C@H](C)O1 ZINC000174252803 368002120 /nfs/dbraw/zinc/00/21/20/368002120.db2.gz MWFQXGGYOULQIG-BETUJISGSA-N 0 3 291.395 2.129 20 30 CEEDHN CC(C)(CCC#N)CNCc1nnnn1-c1ccccc1 ZINC000343881512 368056397 /nfs/dbraw/zinc/05/63/97/368056397.db2.gz CLSRHVHYHJYHOV-UHFFFAOYSA-N 0 3 284.367 2.082 20 30 CEEDHN C=C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000633106456 368058730 /nfs/dbraw/zinc/05/87/30/368058730.db2.gz JZSFTXZDTAZBLG-GDBMZVCRSA-N 0 3 287.407 2.443 20 30 CEEDHN N#Cc1ccc(CNC2CCN(C(=O)c3ccco3)CC2)o1 ZINC000174260979 368003334 /nfs/dbraw/zinc/00/33/34/368003334.db2.gz ILJYCXFRVLZULM-UHFFFAOYSA-N 0 3 299.330 2.139 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC(CCF)CC2)CC1 ZINC000633042646 368032600 /nfs/dbraw/zinc/03/26/00/368032600.db2.gz UOFUVXKZVMIDCG-UHFFFAOYSA-N 0 3 297.418 2.418 20 30 CEEDHN N#Cc1ccc(CNCCc2nccs2)c(F)c1 ZINC000343919803 368074003 /nfs/dbraw/zinc/07/40/03/368074003.db2.gz RUDPXZQOOBIXFL-UHFFFAOYSA-N 0 3 261.325 2.486 20 30 CEEDHN N#Cc1csc(CNC[C@H](CO)c2ccccc2)c1 ZINC000175050483 368094120 /nfs/dbraw/zinc/09/41/20/368094120.db2.gz FOCULLJNLBWKHS-CQSZACIVSA-N 0 3 272.373 2.485 20 30 CEEDHN CN1CCC[C@H]1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180397792 368380400 /nfs/dbraw/zinc/38/04/00/368380400.db2.gz PGGVKFKHBQUGHJ-HNNXBMFYSA-N 0 3 283.375 2.066 20 30 CEEDHN C=CCNC(=O)CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181205332 368430891 /nfs/dbraw/zinc/43/08/91/368430891.db2.gz KPQNBHZIJAKLJD-HOCLYGCPSA-N 0 3 288.391 2.046 20 30 CEEDHN N#CC(C(=O)c1cnn(CC2CC2)c1)c1ccccn1 ZINC000633900527 368455525 /nfs/dbraw/zinc/45/55/25/368455525.db2.gz QTPFPGBCTLBRDW-CYBMUJFWSA-N 0 3 266.304 2.178 20 30 CEEDHN CN(Cc1cc(F)ccc1C#N)[C@@H]1CCN(C2CC2)C1 ZINC000345867998 368462019 /nfs/dbraw/zinc/46/20/19/368462019.db2.gz DZMSNRIDLBJVKE-MRXNPFEDSA-N 0 3 273.355 2.366 20 30 CEEDHN C[C@H](CO[C@@H]1CCOC1)N[C@@H](C)c1cccc(C#N)c1 ZINC000181876754 368503366 /nfs/dbraw/zinc/50/33/66/368503366.db2.gz JZKFIUQTOCJRCE-DVOMOZLQSA-N 0 3 274.364 2.403 20 30 CEEDHN CSC[C@@H](CCO)N[C@@H](C)c1ccc(C#N)cc1 ZINC000181797713 368494784 /nfs/dbraw/zinc/49/47/84/368494784.db2.gz SAASYUZCYRQJKK-SMDDNHRTSA-N 0 3 264.394 2.323 20 30 CEEDHN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1cccc(C#N)c1 ZINC000182353501 368556038 /nfs/dbraw/zinc/55/60/38/368556038.db2.gz QXVITSYUWRDVFH-GJZGRUSLSA-N 0 3 292.404 2.004 20 30 CEEDHN CCCN(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182714285 368583131 /nfs/dbraw/zinc/58/31/31/368583131.db2.gz WZKIVCJUVGWFQN-OAHLLOKOSA-N 0 3 271.364 2.395 20 30 CEEDHN CN(CCc1ccncc1)Cc1cnc2ccc(C#N)cn12 ZINC000183753778 368647567 /nfs/dbraw/zinc/64/75/67/368647567.db2.gz KORNZNATPVOCOR-UHFFFAOYSA-N 0 3 291.358 2.275 20 30 CEEDHN CCCCN1CCCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000346664889 368760495 /nfs/dbraw/zinc/76/04/95/368760495.db2.gz HVRLXYAEWPVUIL-HNNXBMFYSA-N 0 3 288.395 2.271 20 30 CEEDHN CC[C@@H]1CN(CCC(C)(C)C#N)C[C@@]2(CCOC2)O1 ZINC000347210770 368803130 /nfs/dbraw/zinc/80/31/30/368803130.db2.gz QEVNMSNRAXQVKG-UKRRQHHQSA-N 0 3 266.385 2.196 20 30 CEEDHN C=CCC[C@H](O)CN[C@@H](c1nnc2ccccn21)C(C)C ZINC000347682411 368816613 /nfs/dbraw/zinc/81/66/13/368816613.db2.gz XRNUAJKAFUWITF-DZGCQCFKSA-N 0 3 288.395 2.343 20 30 CEEDHN C=C(CNC[C@@H](O)C[C@@](C)(O)C1CC1)c1ccccc1 ZINC000634713945 368836242 /nfs/dbraw/zinc/83/62/42/368836242.db2.gz DCPHTQZQBYZBTP-DLBZAZTESA-N 0 3 275.392 2.201 20 30 CEEDHN C=CCc1cc(CN2C[C@@H]3COC[C@@H]3C2)cc(OC)c1O ZINC000634746102 368857303 /nfs/dbraw/zinc/85/73/03/368857303.db2.gz GFVHNSLHXPBKBX-GASCZTMLSA-N 0 3 289.375 2.208 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000186685144 369019327 /nfs/dbraw/zinc/01/93/27/369019327.db2.gz CXANURLXCWXONO-NWDGAFQWSA-N 0 3 264.325 2.491 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000186686225 369020021 /nfs/dbraw/zinc/02/00/21/369020021.db2.gz NVPBIZYXDZISHA-WCQYABFASA-N 0 3 264.325 2.491 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(OC)cc1F ZINC000186689503 369020666 /nfs/dbraw/zinc/02/06/66/369020666.db2.gz MFZDBWSPDJOIIT-QWRGUYRKSA-N 0 3 253.317 2.422 20 30 CEEDHN CN(CCN(C)C1CC1)Cc1cc(C#N)ccc1F ZINC000186794647 369044375 /nfs/dbraw/zinc/04/43/75/369044375.db2.gz NXDUKGVMYAGWTH-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN CCS[C@@H]1CCC[C@H]1NCC(=O)N(CC)CCC#N ZINC000348472458 369056287 /nfs/dbraw/zinc/05/62/87/369056287.db2.gz YBQFWXWYVVJZCX-CHWSQXEVSA-N 0 3 283.441 2.012 20 30 CEEDHN C=CC1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635548375 369214349 /nfs/dbraw/zinc/21/43/49/369214349.db2.gz QDRZAFNZBHXWIJ-HNNXBMFYSA-N 0 3 262.397 2.428 20 30 CEEDHN Cc1nc(C)c(C#N)c(SC[C@H]2CCN(C)C2)n1 ZINC000187678385 369201930 /nfs/dbraw/zinc/20/19/30/369201930.db2.gz WBWQIPGQVPVEGK-NSHDSACASA-N 0 3 262.382 2.009 20 30 CEEDHN C=CCCN(C)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000276084392 193209340 /nfs/dbraw/zinc/20/93/40/193209340.db2.gz BHNJWIXUGVNWAM-AWEZNQCLSA-N 0 3 272.392 2.468 20 30 CEEDHN C=CCOc1ccc(CN2CCC(C(=O)NC)CC2)cc1 ZINC000349768511 369394535 /nfs/dbraw/zinc/39/45/35/369394535.db2.gz RULCZLVYTATAMV-UHFFFAOYSA-N 0 3 288.391 2.209 20 30 CEEDHN COc1ccc(OC)c(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000349819499 369410321 /nfs/dbraw/zinc/41/03/21/369410321.db2.gz BDIQGCYQMFFZAQ-WCQYABFASA-N 0 3 260.337 2.486 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C)CC2)CC1 ZINC000490636296 261175077 /nfs/dbraw/zinc/17/50/77/261175077.db2.gz MFLSTBLLKMQSBL-CTYIDZIISA-N 0 3 262.397 2.027 20 30 CEEDHN C=C[C@@H](C)NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000350461670 369537047 /nfs/dbraw/zinc/53/70/47/369537047.db2.gz WLRWKJGNKCLFRX-ZBFHGGJFSA-N 0 3 287.407 2.382 20 30 CEEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)CC)cc1 ZINC000189402536 369511248 /nfs/dbraw/zinc/51/12/48/369511248.db2.gz QVERLXSQJOWYIQ-KGLIPLIRSA-N 0 3 288.391 2.216 20 30 CEEDHN COC(=O)CCC(C)(C)NCc1cc(C#N)cs1 ZINC000358284823 370991556 /nfs/dbraw/zinc/99/15/56/370991556.db2.gz HPQKRAFZDVEFSC-UHFFFAOYSA-N 0 3 266.366 2.441 20 30 CEEDHN C[C@@H]1CC[C@H](C)N(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000330927146 203395697 /nfs/dbraw/zinc/39/56/97/203395697.db2.gz JTHGZVKFSWVNHJ-KGLIPLIRSA-N 0 3 285.391 2.295 20 30 CEEDHN C=CCCN(C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000276362116 193299649 /nfs/dbraw/zinc/29/96/49/193299649.db2.gz FXBNKZDLJAUCIH-UHFFFAOYSA-N 0 3 277.755 2.356 20 30 CEEDHN CN(C)CCc1ccccc1NC(=O)NCC(C)(C)C#N ZINC000351550384 369639606 /nfs/dbraw/zinc/63/96/06/369639606.db2.gz HDISBIMCZMBKII-UHFFFAOYSA-N 0 3 288.395 2.462 20 30 CEEDHN C[C@H](CCC#N)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000351630118 369644953 /nfs/dbraw/zinc/64/49/53/369644953.db2.gz AFKPFMHCTPNDFJ-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN CC(C#N)C(=O)NCc1ccccc1N1CCCCC1 ZINC000351633370 369645570 /nfs/dbraw/zinc/64/55/70/369645570.db2.gz XYFQPOFVLDAVHB-CYBMUJFWSA-N 0 3 271.364 2.453 20 30 CEEDHN C=CCCCCNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000351661563 369646934 /nfs/dbraw/zinc/64/69/34/369646934.db2.gz LEQPNPNPDZJFHB-OLZOCXBDSA-N 0 3 253.390 2.125 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(Cl)nc2C)CC1 ZINC000192492713 369820635 /nfs/dbraw/zinc/82/06/35/369820635.db2.gz TZTHWEMSSUNNQC-UHFFFAOYSA-N 0 3 291.782 2.327 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H]1CSC[C@H]1C ZINC000352815202 369892324 /nfs/dbraw/zinc/89/23/24/369892324.db2.gz KPZPTEHNAYSQCM-MFKMUULPSA-N 0 3 262.378 2.408 20 30 CEEDHN CC(C)(C)[C@@H](CO)NCc1ccc(F)c(C#N)c1 ZINC000193107055 369893089 /nfs/dbraw/zinc/89/30/89/369893089.db2.gz ILYRVIVLZBAIKO-CYBMUJFWSA-N 0 3 250.317 2.194 20 30 CEEDHN N#Cc1ccccc1OCCN1CC[C@H](COC(F)F)C1 ZINC000353026341 369990097 /nfs/dbraw/zinc/99/00/97/369990097.db2.gz JWPQFNISNUGBMQ-LBPRGKRZSA-N 0 3 296.317 2.498 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2Cc3c(cccc3C)N2)CC1 ZINC000638103012 370302211 /nfs/dbraw/zinc/30/22/11/370302211.db2.gz XWHLQOYYLXQHGV-QGZVFWFLSA-N 0 3 299.418 2.098 20 30 CEEDHN CCC[C@](C)(O)CNCc1ccc(C#N)c(OC)c1 ZINC000230707579 370465586 /nfs/dbraw/zinc/46/55/86/370465586.db2.gz QNKUANCPBXPVLM-HNNXBMFYSA-N 0 3 262.353 2.208 20 30 CEEDHN COc1cc(CNCCOCC(F)(F)F)ccc1C#N ZINC000234842130 370545731 /nfs/dbraw/zinc/54/57/31/370545731.db2.gz HBTABQJRBMANGR-UHFFFAOYSA-N 0 3 288.269 2.235 20 30 CEEDHN COc1cc(CN(C)C[C@H]2CCCO2)ccc1C#N ZINC000234926656 370550195 /nfs/dbraw/zinc/55/01/95/370550195.db2.gz XRFZLVJYPGZKJH-CQSZACIVSA-N 0 3 260.337 2.178 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000638472670 370556403 /nfs/dbraw/zinc/55/64/03/370556403.db2.gz VAFZMHQHSZRJOA-CJNGLKHVSA-N 0 3 270.376 2.298 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000638473781 370557230 /nfs/dbraw/zinc/55/72/30/370557230.db2.gz DJZNCUHLELPWQT-LBPRGKRZSA-N 0 3 256.349 2.328 20 30 CEEDHN N#Cc1cccc(N2CCN(C[C@@H]3CC=CCC3)CC2)n1 ZINC000355446467 370558739 /nfs/dbraw/zinc/55/87/39/370558739.db2.gz RQTPCQFJWKPJII-OAHLLOKOSA-N 0 3 282.391 2.432 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CO)CC2CCC2)s1 ZINC000355518998 370583777 /nfs/dbraw/zinc/58/37/77/370583777.db2.gz UXYYAILRZALGKQ-LLVKDONJSA-N 0 3 250.367 2.260 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCO[C@@H]2C2CC2)c1F ZINC000236277998 370587378 /nfs/dbraw/zinc/58/73/78/370587378.db2.gz HSTQMHOCWFJYQM-DZGCQCFKSA-N 0 3 260.312 2.354 20 30 CEEDHN C=CCCC1(C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000355617237 370608085 /nfs/dbraw/zinc/60/80/85/370608085.db2.gz CRPOGDTWQIFOPR-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCCC1(C(=O)N2CCCN(CC)CC2)CC1 ZINC000355799179 370614585 /nfs/dbraw/zinc/61/45/85/370614585.db2.gz XVJQBPCHKAEFGJ-UHFFFAOYSA-N 0 3 250.386 2.287 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCCC[C@H]1C ZINC000358417673 371057696 /nfs/dbraw/zinc/05/76/96/371057696.db2.gz YWJWOAIDMZUZBN-UKRRQHHQSA-N 0 3 265.401 2.305 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000639242804 371138937 /nfs/dbraw/zinc/13/89/37/371138937.db2.gz CCNUHXBBBOHGEZ-HZSPNIEDSA-N 0 3 276.384 2.359 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](c1nnc[n-]1)C1CCCCC1 ZINC000639242804 371138941 /nfs/dbraw/zinc/13/89/41/371138941.db2.gz CCNUHXBBBOHGEZ-HZSPNIEDSA-N 0 3 276.384 2.359 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000639242804 371138943 /nfs/dbraw/zinc/13/89/43/371138943.db2.gz CCNUHXBBBOHGEZ-HZSPNIEDSA-N 0 3 276.384 2.359 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2CC)CC1 ZINC000358805173 371228280 /nfs/dbraw/zinc/22/82/80/371228280.db2.gz AQUKQDCFDTXYAL-CQSZACIVSA-N 0 3 265.401 2.221 20 30 CEEDHN Cn1cc2c(n1)CCC[C@@H]2NCCOc1ccc(C#N)cc1 ZINC000358967409 371284083 /nfs/dbraw/zinc/28/40/83/371284083.db2.gz QHYAZANIKLETBQ-INIZCTEOSA-N 0 3 296.374 2.338 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCOc2c(F)ccc(F)c21 ZINC000361228481 371727011 /nfs/dbraw/zinc/72/70/11/371727011.db2.gz MNRYLSASLWLXMO-XVKPBYJWSA-N 0 3 266.247 2.064 20 30 CEEDHN CSCCN(C)CCOCc1ccc(C#N)cc1 ZINC000344064324 217034214 /nfs/dbraw/zinc/03/42/14/217034214.db2.gz FCIYYSWECYSWOH-UHFFFAOYSA-N 0 3 264.394 2.370 20 30 CEEDHN CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1CCC1 ZINC000361481969 371869155 /nfs/dbraw/zinc/86/91/55/371869155.db2.gz SROUVWGPMSRHLR-HNNXBMFYSA-N 0 3 265.401 2.163 20 30 CEEDHN C=CCC1(C(=O)N[C@H](CO)CN2CCCC2)CCCCC1 ZINC000640320528 371906844 /nfs/dbraw/zinc/90/68/44/371906844.db2.gz SQYAMSFGVYLRTN-HNNXBMFYSA-N 0 3 294.439 2.086 20 30 CEEDHN CC#CCCCC(=O)N1CCCN(c2ccncc2)CC1 ZINC000640445104 371983572 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/nfs/dbraw/zinc/99/74/70/376997470.db2.gz WUKCWPHSKMOKKA-GJZGRUSLSA-N 0 3 279.343 2.157 20 30 CEEDHN CC[C@]1(C)CCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000563154759 377109080 /nfs/dbraw/zinc/10/90/80/377109080.db2.gz WGKXXXCCURGZCG-OAHLLOKOSA-N 0 3 269.352 2.223 20 30 CEEDHN C[C@@H]1CCC[C@@]1(O)CNCc1ccc(C#N)s1 ZINC000292892986 377337987 /nfs/dbraw/zinc/33/79/87/377337987.db2.gz DATJXOHWJMWBJQ-ZWNOBZJWSA-N 0 3 250.367 2.260 20 30 CEEDHN Cc1cccc(C(=O)NC[C@@H]2CCCCN2CCO)c1 ZINC000331323937 377378159 /nfs/dbraw/zinc/37/81/59/377378159.db2.gz LWYSZASLJOLIMP-HNNXBMFYSA-N 0 3 276.380 2.146 20 30 CEEDHN C#CCNC(=O)CCN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000292920996 377351564 /nfs/dbraw/zinc/35/15/64/377351564.db2.gz YBMNMMVWDPKUCE-KGLIPLIRSA-N 0 3 274.364 2.192 20 30 CEEDHN C=C(C)[C@H](CO)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000685582038 542163053 /nfs/dbraw/zinc/16/30/53/542163053.db2.gz ZHBZWEJJFCHCFS-OWCLPIDISA-N 0 3 296.361 2.237 20 30 CEEDHN C=CCC(C)(C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000429842136 377522604 /nfs/dbraw/zinc/52/26/04/377522604.db2.gz GMHDKIURPZNRMU-ZDUSSCGKSA-N 0 3 252.402 2.437 20 30 CEEDHN CC(=O)Nc1ccccc1CNCC1(CC#N)CC1 ZINC000430018795 377524286 /nfs/dbraw/zinc/52/42/86/377524286.db2.gz DIYINTIBMCJFDL-UHFFFAOYSA-N 0 3 257.337 2.428 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)[C@H]1CC[C@@H](C)C1 ZINC000429591535 377517025 /nfs/dbraw/zinc/51/70/25/377517025.db2.gz OGHOBQXQSCMGIN-KGLIPLIRSA-N 0 3 250.386 2.307 20 30 CEEDHN C=CCOCCCN1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430262526 377527514 /nfs/dbraw/zinc/52/75/14/377527514.db2.gz WECCQEXZMXYECN-OWCLPIDISA-N 0 3 283.412 2.238 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1ccnn1-c1ccccc1 ZINC000281116494 542181299 /nfs/dbraw/zinc/18/12/99/542181299.db2.gz AFIFLPOVRGDDQK-UONOGXRCSA-N 0 3 271.364 2.460 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)C1CCC(OC)CC1 ZINC000265263774 190170191 /nfs/dbraw/zinc/17/01/91/190170191.db2.gz YYPNEMPLXAOYQL-UHFFFAOYSA-N 0 3 280.412 2.076 20 30 CEEDHN N#Cc1ccc([C@H](N[C@@H]2CC3CCC2CC3)C(N)=O)cc1 ZINC000431077352 377595887 /nfs/dbraw/zinc/59/58/87/377595887.db2.gz NXPANUFTIPSIGZ-GLVOJVMSSA-N 0 3 283.375 2.253 20 30 CEEDHN C=CCCCCCN(C)CC(=O)NCCCC(=O)OCC ZINC000265834826 190211792 /nfs/dbraw/zinc/21/17/92/190211792.db2.gz VCUQRCUJQNYPMK-UHFFFAOYSA-N 0 3 298.427 2.124 20 30 CEEDHN C[C@H](CCC#N)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000566301367 377754915 /nfs/dbraw/zinc/75/49/15/377754915.db2.gz XQIYNGYNQJUGFK-ZIAGYGMSSA-N 0 3 266.385 2.196 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)c2cscc2C#N)C1 ZINC000432708459 377775452 /nfs/dbraw/zinc/77/54/52/377775452.db2.gz PFGHGLGLPBJFIA-LLVKDONJSA-N 0 3 277.393 2.081 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ncc(COC)s1 ZINC000435724947 377808216 /nfs/dbraw/zinc/80/82/16/377808216.db2.gz FCEGLZBDQUBFIS-SMDDNHRTSA-N 0 3 282.409 2.360 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1c(C#N)cccc1C#N ZINC000436411557 377825156 /nfs/dbraw/zinc/82/51/56/377825156.db2.gz QGNWHPSEKREWFW-NHYWBVRUSA-N 0 3 266.348 2.325 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433941965 377794159 /nfs/dbraw/zinc/79/41/59/377794159.db2.gz OSZGUOHUZPXIFW-AWEZNQCLSA-N 0 3 265.401 2.221 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H](CO)CC2)s1 ZINC000293993550 377862229 /nfs/dbraw/zinc/86/22/29/377862229.db2.gz LTCRNVIFWFYOMG-LLVKDONJSA-N 0 3 250.367 2.214 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441292515 377934190 /nfs/dbraw/zinc/93/41/90/377934190.db2.gz ZHBXLNVBAWWORR-HOTGVXAUSA-N 0 3 294.439 2.160 20 30 CEEDHN COc1cc(CN2CCC[C@H](CO)CC2)ccc1C#N ZINC000294090753 377901168 /nfs/dbraw/zinc/90/11/68/377901168.db2.gz RKNJCWVTSOIQTE-ZDUSSCGKSA-N 0 3 274.364 2.161 20 30 CEEDHN CC(=O)Nc1cccc(OCCN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442857406 378008890 /nfs/dbraw/zinc/00/88/90/378008890.db2.gz PNARUZOCTVHCND-UONOGXRCSA-N 0 3 287.363 2.306 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)CCN1CCCC1=O ZINC000442695000 377981193 /nfs/dbraw/zinc/98/11/93/377981193.db2.gz VALBAYFCZWJYRI-CYBMUJFWSA-N 0 3 271.364 2.173 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC(OCCO)CC1 ZINC000442685504 377981391 /nfs/dbraw/zinc/98/13/91/377981391.db2.gz XKYQYIUEHGIENT-CYBMUJFWSA-N 0 3 274.364 2.093 20 30 CEEDHN CCS(=O)(=O)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442828723 378004861 /nfs/dbraw/zinc/00/48/61/378004861.db2.gz QLDNAPCKADFMJY-KGLIPLIRSA-N 0 3 292.404 2.262 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C(C)C)C2)CC1 ZINC000445890071 378083686 /nfs/dbraw/zinc/08/36/86/378083686.db2.gz KQPQHXAEQNFCEK-AWEZNQCLSA-N 0 3 279.428 2.324 20 30 CEEDHN CC[C@@H]1CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000446712331 378086473 /nfs/dbraw/zinc/08/64/73/378086473.db2.gz QOKMPPRMBXHXGL-UMVBOHGHSA-N 0 3 265.401 2.161 20 30 CEEDHN CC1(C)CCCCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000446067740 378085033 /nfs/dbraw/zinc/08/50/33/378085033.db2.gz PHBRSCGUTYAUIC-UHFFFAOYSA-N 0 3 290.411 2.154 20 30 CEEDHN CCC1(CC)CCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000446721578 378085671 /nfs/dbraw/zinc/08/56/71/378085671.db2.gz VPMOGLBZZOGMLN-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1CC(=O)c1ccccc1 ZINC000443838126 378074400 /nfs/dbraw/zinc/07/44/00/378074400.db2.gz FGPKOTHTNOFNRC-TZMCWYRMSA-N 0 3 270.332 2.410 20 30 CEEDHN CC(C)[C@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000444753301 378080813 /nfs/dbraw/zinc/08/08/13/378080813.db2.gz NIYLAJRZUAEKEX-HNNXBMFYSA-N 0 3 290.411 2.010 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000447730505 378132520 /nfs/dbraw/zinc/13/25/20/378132520.db2.gz KSALNVOLEBNGQT-KGLIPLIRSA-N 0 3 271.364 2.179 20 30 CEEDHN Cc1cc(C[C@@H](C)NC(=O)C(C)C#N)n(-c2ccccc2)n1 ZINC000448449862 378171057 /nfs/dbraw/zinc/17/10/57/378171057.db2.gz SHUAWZWHTHZJRR-QWHCGFSZSA-N 0 3 296.374 2.388 20 30 CEEDHN C=CCOc1ccccc1CN1C[C@H](C)C[C@@H](O)C1 ZINC000449764686 378228013 /nfs/dbraw/zinc/22/80/13/378228013.db2.gz DAADJOGZRNJYGR-UKRRQHHQSA-N 0 3 261.365 2.454 20 30 CEEDHN C[C@H]1C[C@@]1(C#N)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000450106859 378296292 /nfs/dbraw/zinc/29/62/92/378296292.db2.gz POQQYMKHXJHTTB-KPEUIFRASA-N 0 3 297.402 2.315 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)CC1 ZINC000266080606 190229170 /nfs/dbraw/zinc/22/91/70/190229170.db2.gz GURZEZYVMOEIFE-ZWKOTPCHSA-N 0 3 296.414 2.079 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(C(C)(C)C)on2)CC1 ZINC000266098746 190230160 /nfs/dbraw/zinc/23/01/60/190230160.db2.gz KHGIGZHYFOZZSB-UHFFFAOYSA-N 0 3 291.395 2.352 20 30 CEEDHN C[C@H](CO)[C@H](C)NCC#Cc1ccccc1Cl ZINC000450736621 378553529 /nfs/dbraw/zinc/55/35/29/378553529.db2.gz GLNCBTHZDTYQLT-NEPJUHHUSA-N 0 3 251.757 2.298 20 30 CEEDHN C#CC[C@H](NC(=O)NCCCN(C)CC#C)c1ccccc1 ZINC000296561598 378575849 /nfs/dbraw/zinc/57/58/49/378575849.db2.gz RXZSUCBWXPFJSN-KRWDZBQOSA-N 0 3 297.402 2.005 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(OCC)cc1 ZINC000297285066 378679900 /nfs/dbraw/zinc/67/99/00/378679900.db2.gz GQGGKFGZEODVIQ-UHFFFAOYSA-N 0 3 289.379 2.162 20 30 CEEDHN C[C@H](C1CC1)N(CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000298449499 378729932 /nfs/dbraw/zinc/72/99/32/378729932.db2.gz GFWVGALOCORBRQ-CYBMUJFWSA-N 0 3 297.402 2.437 20 30 CEEDHN COc1ccc(CNC[C@](C)(O)c2ccco2)cc1C#N ZINC000266181968 190238127 /nfs/dbraw/zinc/23/81/27/190238127.db2.gz VPRRKRLDRYPMDO-INIZCTEOSA-N 0 3 286.331 2.157 20 30 CEEDHN CN1CCC[C@@H]1CNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000299253082 378942676 /nfs/dbraw/zinc/94/26/76/378942676.db2.gz QFVWBVWFXFHAAQ-GFCCVEGCSA-N 0 3 292.770 2.427 20 30 CEEDHN CCN(CC(=O)NCc1ccc(C#N)cc1)CC(C)C ZINC000299424500 378993106 /nfs/dbraw/zinc/99/31/06/378993106.db2.gz OJBFMLAYCSVZRI-UHFFFAOYSA-N 0 3 273.380 2.152 20 30 CEEDHN COc1cc(CN[C@@H]2C[C@H](OC)C2(C)C)ccc1C#N ZINC000300656814 379179389 /nfs/dbraw/zinc/17/93/89/379179389.db2.gz VAYJKCCXOMGJQK-CABCVRRESA-N 0 3 274.364 2.470 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278869984 194191422 /nfs/dbraw/zinc/19/14/22/194191422.db2.gz OCPWRZMUTCFZLX-ZIAGYGMSSA-N 0 3 294.370 2.391 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000266543024 190265506 /nfs/dbraw/zinc/26/55/06/190265506.db2.gz QTGCHMSEFMLMBH-IRXDYDNUSA-N 0 3 297.402 2.439 20 30 CEEDHN Cc1noc(CCCN(C)Cc2ccc(C#N)cc2)n1 ZINC000266876133 190286356 /nfs/dbraw/zinc/28/63/56/190286356.db2.gz MJQZOZGHERBRDS-UHFFFAOYSA-N 0 3 270.336 2.314 20 30 CEEDHN C=CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000267312296 190320361 /nfs/dbraw/zinc/32/03/61/190320361.db2.gz IJJOHMKYKIXLTD-ZBFHGGJFSA-N 0 3 287.407 2.382 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)C[C@@H]1CCC[C@H]1O ZINC000305356455 379709964 /nfs/dbraw/zinc/70/99/64/379709964.db2.gz SACXBKGKUDAVMT-DZGCQCFKSA-N 0 3 274.364 2.160 20 30 CEEDHN CC#CCCNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458658915 380055266 /nfs/dbraw/zinc/05/52/66/380055266.db2.gz OLDHBZUUKPZHBA-UHFFFAOYSA-N 0 3 293.436 2.235 20 30 CEEDHN CC(C)[C@H]1CN(CC#Cc2ccccc2)CCN1C ZINC000487976675 380090367 /nfs/dbraw/zinc/09/03/67/380090367.db2.gz ZPVUBKOZHFNOTK-QGZVFWFLSA-N 0 3 256.393 2.310 20 30 CEEDHN C=CCN(C)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000487902765 380090892 /nfs/dbraw/zinc/09/08/92/380090892.db2.gz ACNSWZGAVKRVGD-OLZOCXBDSA-N 0 3 253.390 2.077 20 30 CEEDHN N#CC(C(=O)CC1(c2ccccc2)CC1)C(=O)N1CCCC1 ZINC000528918778 380135312 /nfs/dbraw/zinc/13/53/12/380135312.db2.gz XVKYOHWTVZFVDZ-OAHLLOKOSA-N 0 3 296.370 2.440 20 30 CEEDHN N#CC(C(=O)c1cnn(C2CC2)c1)c1ccccn1 ZINC000528922339 380136959 /nfs/dbraw/zinc/13/69/59/380136959.db2.gz WCWHQJLSAXKWHU-GFCCVEGCSA-N 0 3 252.277 2.103 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ccc(Cl)c(C#N)n1 ZINC000268183063 190383753 /nfs/dbraw/zinc/38/37/53/190383753.db2.gz UBZKKIUPSGVVNW-MFKMUULPSA-N 0 3 278.787 2.383 20 30 CEEDHN N#CC1(C(=O)NC[C@@H]2CCN2C2CCCCC2)CCC1 ZINC000529721726 380185073 /nfs/dbraw/zinc/18/50/73/380185073.db2.gz XTVKMHBEVAQDNS-AWEZNQCLSA-N 0 3 275.396 2.203 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](COC)C(C)C ZINC000542520675 380307438 /nfs/dbraw/zinc/30/74/38/380307438.db2.gz DULRPQUJNUYPGT-KGLIPLIRSA-N 0 3 270.417 2.060 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cccc(C(F)F)c1 ZINC000491351741 380309825 /nfs/dbraw/zinc/30/98/25/380309825.db2.gz VMXSULWJDUAODK-UHFFFAOYSA-N 0 3 280.318 2.309 20 30 CEEDHN C=CCCN1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000545173058 380374121 /nfs/dbraw/zinc/37/41/21/380374121.db2.gz VFORUVSGYZFGDM-CYBMUJFWSA-N 0 3 250.342 2.458 20 30 CEEDHN C[C@H](CNc1ccncc1C#N)N1CCc2ccccc2C1 ZINC000548481454 380524294 /nfs/dbraw/zinc/52/42/94/380524294.db2.gz MLBWIOXDFIIVAV-CQSZACIVSA-N 0 3 292.386 2.234 20 30 CEEDHN N#Cc1cnccc1NCCCN1CCc2ccccc2C1 ZINC000548481715 380524748 /nfs/dbraw/zinc/52/47/48/380524748.db2.gz YPBJSTPOQZCJPZ-UHFFFAOYSA-N 0 3 292.386 2.235 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C/c2cccc(O)c2)CC1 ZINC000492732529 380669814 /nfs/dbraw/zinc/66/98/14/380669814.db2.gz FNPZARDNWYOCPA-BQYQJAHWSA-N 0 3 298.386 2.009 20 30 CEEDHN C[C@H]1[C@H](C)N(Cc2cccc(C#N)c2F)CCN1C ZINC000334749920 207014237 /nfs/dbraw/zinc/01/42/37/207014237.db2.gz ZOMKFBVJTUIZJR-RYUDHWBXSA-N 0 3 261.344 2.222 20 30 CEEDHN CN1CC=C(CNc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000554523385 380777293 /nfs/dbraw/zinc/77/72/93/380777293.db2.gz VCIPSHGKWIYRAS-UHFFFAOYSA-N 0 3 296.296 2.068 20 30 CEEDHN CN(C)C/C=C/C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000493114646 380803472 /nfs/dbraw/zinc/80/34/72/380803472.db2.gz HOMBGCVZILLCEB-HWKANZROSA-N 0 3 275.327 2.190 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000493140576 380815527 /nfs/dbraw/zinc/81/55/27/380815527.db2.gz YUEVVELCQJORNR-VXGBXAGGSA-N 0 3 295.383 2.004 20 30 CEEDHN C=C(C)CN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000494237290 381157037 /nfs/dbraw/zinc/15/70/37/381157037.db2.gz JZKNPAICGLBASZ-HIFRSBDPSA-N 0 3 280.318 2.402 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC2(COC(=O)N2)CC1 ZINC000495033434 381166174 /nfs/dbraw/zinc/16/61/74/381166174.db2.gz WGOVENCCFUKPIC-GFCCVEGCSA-N 0 3 285.347 2.194 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)CCN1C ZINC000334796343 207091062 /nfs/dbraw/zinc/09/10/62/207091062.db2.gz JFZJOHUEJXYDCW-GXFFZTMASA-N 0 3 291.782 2.424 20 30 CEEDHN CC#CCN1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495718748 381180668 /nfs/dbraw/zinc/18/06/68/381180668.db2.gz RXUJBEKDLIYXAN-HNNXBMFYSA-N 0 3 266.385 2.246 20 30 CEEDHN C#CCCN1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000495677426 381181810 /nfs/dbraw/zinc/18/18/10/381181810.db2.gz OIKRKMZAIKYNQI-INIZCTEOSA-N 0 3 278.396 2.485 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000335921712 533111748 /nfs/dbraw/zinc/11/17/48/533111748.db2.gz QQYMVBMQSXWRFI-WDEREUQCSA-N 0 3 278.739 2.479 20 30 CEEDHN CC(C#N)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000336556930 533111767 /nfs/dbraw/zinc/11/17/67/533111767.db2.gz NILOJNQZZOYFMP-JTQLQIEISA-N 0 3 297.811 2.205 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccccc1OC(F)F ZINC000351902906 533114621 /nfs/dbraw/zinc/11/46/21/533114621.db2.gz CLUHYKABFPTHQU-VIFPVBQESA-N 0 3 268.263 2.106 20 30 CEEDHN CCCN(CCN1CCCCCC1)c1cnc(C#N)cn1 ZINC000288843903 197176997 /nfs/dbraw/zinc/17/69/97/197176997.db2.gz JECFIOWPJCCQNG-UHFFFAOYSA-N 0 3 287.411 2.441 20 30 CEEDHN N#Cc1ccc2ncc(CN3C[C@@H]4CCC[C@@H]4C3)n2c1 ZINC000093443144 184675182 /nfs/dbraw/zinc/67/51/82/184675182.db2.gz DLIWYXAQTNFMSU-OKILXGFUSA-N 0 3 266.348 2.438 20 30 CEEDHN CN(C)CC1(NC(=O)Nc2ccc(F)c(C#N)c2)CCC1 ZINC000281233760 195160364 /nfs/dbraw/zinc/16/03/64/195160364.db2.gz CKWWGLOHLSPIRQ-UHFFFAOYSA-N 0 3 290.342 2.303 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000281422924 195235332 /nfs/dbraw/zinc/23/53/32/195235332.db2.gz YDBCKYKUHSYNOT-SWLSCSKDSA-N 0 3 287.363 2.016 20 30 CEEDHN C=CC[C@@H](C)NC(=O)NCCN(C)Cc1ccccc1 ZINC000116948928 260008398 /nfs/dbraw/zinc/00/83/98/260008398.db2.gz NMYGFQMCKPKURL-CQSZACIVSA-N 0 3 275.396 2.382 20 30 CEEDHN N#C[C@H]1CCC[C@H](NCc2ccc(CO)c(F)c2)C1 ZINC000192724659 262209215 /nfs/dbraw/zinc/20/92/15/262209215.db2.gz XFJYEDQAWOIVMD-FZMZJTMJSA-N 0 3 262.328 2.490 20 30 CEEDHN COc1cc(CN[C@H](CO)C(C)(C)C)ccc1C#N ZINC000282169340 195526380 /nfs/dbraw/zinc/52/63/80/195526380.db2.gz DYOPGUOYGBOZFZ-CQSZACIVSA-N 0 3 262.353 2.063 20 30 CEEDHN COC(=O)[C@H]1CCCC[C@]1(C)NCC1(C#N)CC1 ZINC000331955692 533381498 /nfs/dbraw/zinc/38/14/98/533381498.db2.gz KPQHMIXESWQCGD-YPMHNXCESA-N 0 3 250.342 2.002 20 30 CEEDHN Cn1cc(CNC[C@H](O)c2ccc(Cl)cc2)cc1C#N ZINC000190718809 130139544 /nfs/dbraw/zinc/13/95/44/130139544.db2.gz OUVQBIBFUSKOMO-HNNXBMFYSA-N 0 3 289.766 2.373 20 30 CEEDHN CO[C@H](C)CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000191137946 130187711 /nfs/dbraw/zinc/18/77/11/130187711.db2.gz MLPRIQSYOUFLSR-GFCCVEGCSA-N 0 3 284.363 2.083 20 30 CEEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC1)N1[C@H](C)CC[C@@H]1C ZINC000413251261 394512759 /nfs/dbraw/zinc/51/27/59/394512759.db2.gz WNKCJFFSBLTFTB-XQQFMLRXSA-N 0 3 263.385 2.152 20 30 CEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)NCCN(C)CC ZINC000413187596 394501017 /nfs/dbraw/zinc/50/10/17/394501017.db2.gz RVFOFKMEVIYMTI-MRXNPFEDSA-N 0 3 289.423 2.425 20 30 CEEDHN N#Cc1cc(Cl)ccc1N1CCN2CCC[C@H]2C1 ZINC000246051572 394508604 /nfs/dbraw/zinc/50/86/04/394508604.db2.gz DIWGATOFUVWOHI-ZDUSSCGKSA-N 0 3 261.756 2.496 20 30 CEEDHN CCn1ccnc1[C@H]1OCC[C@@H]1N[C@H]1CC[C@H](C#N)C1 ZINC000328929683 394557371 /nfs/dbraw/zinc/55/73/71/394557371.db2.gz HEPUYSOSDCPTIO-XUXIUFHCSA-N 0 3 274.368 2.015 20 30 CEEDHN O=C(NCc1cccc2cc[nH]c21)N1CCN2CCC[C@@H]2C1 ZINC000329814497 394587613 /nfs/dbraw/zinc/58/76/13/394587613.db2.gz UPBCPFODLODGFI-OAHLLOKOSA-N 0 3 298.390 2.362 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000048610156 394518581 /nfs/dbraw/zinc/51/85/81/394518581.db2.gz PMEGADVWKBOJLC-UHFFFAOYSA-N 0 3 277.755 2.019 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)c2ccc(CC#N)cc2)CN1C1CC1 ZINC000270396956 394732692 /nfs/dbraw/zinc/73/26/92/394732692.db2.gz UKTDSBALFBLMRN-WFASDCNBSA-N 0 3 283.375 2.108 20 30 CEEDHN C=C(C)Cn1c(C)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000358961145 394734456 /nfs/dbraw/zinc/73/44/56/394734456.db2.gz UKPIQXPVKPCOSD-QWHCGFSZSA-N 0 3 277.416 2.082 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000334433867 394684696 /nfs/dbraw/zinc/68/46/96/394684696.db2.gz XXWWCEBAFKPEEP-AAEUAGOBSA-N 0 3 288.322 2.407 20 30 CEEDHN C[C@@H](NCCc1cccc(C#N)c1)c1ccn(C)n1 ZINC000414140451 394714364 /nfs/dbraw/zinc/71/43/64/394714364.db2.gz JTKOSQFUSVOENS-GFCCVEGCSA-N 0 3 254.337 2.185 20 30 CEEDHN C[C@](C#N)(NC(=O)CNC1(c2ccccc2)CCC1)C1CC1 ZINC000104665146 394721107 /nfs/dbraw/zinc/72/11/07/394721107.db2.gz AZWXQKUBMCYPKK-QGZVFWFLSA-N 0 3 297.402 2.464 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)c1ccc(CC#N)cc1 ZINC000270207301 394728233 /nfs/dbraw/zinc/72/82/33/394728233.db2.gz DQZXYYPZSPVSTK-AWEZNQCLSA-N 0 3 285.391 2.357 20 30 CEEDHN CC#CCNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000359467896 394755816 /nfs/dbraw/zinc/75/58/16/394755816.db2.gz NCWZNBUHJGLFQB-GDBMZVCRSA-N 0 3 287.407 2.309 20 30 CEEDHN C[C@@H](NCCCC#N)c1ccc(N2CCOCC2)cc1 ZINC000271797173 394764696 /nfs/dbraw/zinc/76/46/96/394764696.db2.gz LRIKSBWVLAIBRC-CQSZACIVSA-N 0 3 273.380 2.478 20 30 CEEDHN CC[C@H](C(=O)NC1(C#N)CCSCC1)N(CC)CC ZINC000359686724 394771502 /nfs/dbraw/zinc/77/15/02/394771502.db2.gz WFXCZVVLWIRUSZ-GFCCVEGCSA-N 0 3 283.441 2.012 20 30 CEEDHN C[C@H]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000272375351 394771757 /nfs/dbraw/zinc/77/17/57/394771757.db2.gz VCSMJNQMJWXISU-BBRMVZONSA-N 0 3 283.375 2.395 20 30 CEEDHN Cc1c(Cl)cnc(N2CC[C@@H]3CCN(C)C[C@H]32)c1C#N ZINC000273393030 394787211 /nfs/dbraw/zinc/78/72/11/394787211.db2.gz VEJYZSJFBZPOQD-SMDDNHRTSA-N 0 3 290.798 2.446 20 30 CEEDHN Cn1c2ccccc2cc(CN[C@H]2CC[C@@H](C#N)C2)c1=O ZINC000335681739 394787721 /nfs/dbraw/zinc/78/77/21/394787721.db2.gz YQRIVZWFIDNOSE-DOMZBBRYSA-N 0 3 281.359 2.320 20 30 CEEDHN N#CCC1CCN(Cc2cnn3ccccc23)CC1 ZINC000335834249 394802473 /nfs/dbraw/zinc/80/24/73/394802473.db2.gz AYGICWAADIMILT-UHFFFAOYSA-N 0 3 254.337 2.460 20 30 CEEDHN CC(C)CN(C(=O)CCCC#N)C1CCN(C)CC1 ZINC000362213378 394849717 /nfs/dbraw/zinc/84/97/17/394849717.db2.gz IHTFKSOLNSNXCP-UHFFFAOYSA-N 0 3 265.401 2.259 20 30 CEEDHN CC#CCCCC(=O)N(C)C1CCN(CC)CC1 ZINC000362301618 394852572 /nfs/dbraw/zinc/85/25/72/394852572.db2.gz STHURPPDTYCBIR-UHFFFAOYSA-N 0 3 250.386 2.123 20 30 CEEDHN C=C[C@@H](C)NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000362380562 394858230 /nfs/dbraw/zinc/85/82/30/394858230.db2.gz QTMMVHYWVWTWRH-CYBMUJFWSA-N 0 3 291.395 2.001 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)N(C)C(C)C ZINC000285215520 394954132 /nfs/dbraw/zinc/95/41/32/394954132.db2.gz UKYBMCSBHNFJKE-WBVHZDCISA-N 0 3 286.419 2.466 20 30 CEEDHN C=CCN1CC[C@H](N(CC)CCc2cccs2)C1=O ZINC000282132264 394910848 /nfs/dbraw/zinc/91/08/48/394910848.db2.gz YWWRYPDKYWDBEF-AWEZNQCLSA-N 0 3 278.421 2.399 20 30 CEEDHN CC#CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000283064537 394928315 /nfs/dbraw/zinc/92/83/15/394928315.db2.gz CONMRHRAZOKXIE-ZBFHGGJFSA-N 0 3 270.376 2.037 20 30 CEEDHN C=CCOCCN1CCc2ccc(C(C)=O)cc2CC1 ZINC000339058103 394939373 /nfs/dbraw/zinc/93/93/73/394939373.db2.gz WMIAVEPGNHXKPB-UHFFFAOYSA-N 0 3 273.376 2.492 20 30 CEEDHN C=CCOCCN[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000339073934 394940708 /nfs/dbraw/zinc/94/07/08/394940708.db2.gz AYARMWQOUKALIK-ZDUSSCGKSA-N 0 3 272.352 2.121 20 30 CEEDHN N#CCCOCCN1CC[C@@]2(C1)OCc1ccccc12 ZINC000339096105 394942972 /nfs/dbraw/zinc/94/29/72/394942972.db2.gz MXPUZGCOWJBRLL-INIZCTEOSA-N 0 3 272.348 2.048 20 30 CEEDHN CN(C)CC1(NC(=O)c2cc(C#N)ccc2Cl)CCC1 ZINC000286064288 395007340 /nfs/dbraw/zinc/00/73/40/395007340.db2.gz UUSZFXHCQIJIDR-UHFFFAOYSA-N 0 3 291.782 2.426 20 30 CEEDHN C=CCC[C@H](NCC(C)(C)C(N)=O)c1ccco1 ZINC000286193683 395016120 /nfs/dbraw/zinc/01/61/20/395016120.db2.gz QYWPKXMEDCUIFR-NSHDSACASA-N 0 3 250.342 2.388 20 30 CEEDHN C=CCCOCCCCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000342828834 395023307 /nfs/dbraw/zinc/02/33/07/395023307.db2.gz BJPODKHLCJEDPR-HNNXBMFYSA-N 0 3 282.428 2.302 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000342853948 395024521 /nfs/dbraw/zinc/02/45/21/395024521.db2.gz PEYKYNYJEXLHSJ-AAEUAGOBSA-N 0 3 250.386 2.188 20 30 CEEDHN C=CC[C@@H](C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415887334 394971890 /nfs/dbraw/zinc/97/18/90/394971890.db2.gz WWETVNTXGJGDHN-LLVKDONJSA-N 0 3 259.353 2.418 20 30 CEEDHN C=CCC(C)(C)C(=O)N(C)CC1CCN(C)CC1 ZINC000339935342 394974591 /nfs/dbraw/zinc/97/45/91/394974591.db2.gz FGJOXDDJHAJAHG-UHFFFAOYSA-N 0 3 252.402 2.389 20 30 CEEDHN C=CCN1CCC(NC(=O)c2c(C)nsc2C)CC1 ZINC000340000340 394976706 /nfs/dbraw/zinc/97/67/06/394976706.db2.gz UXKUYNMJNGUALD-UHFFFAOYSA-N 0 3 279.409 2.140 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1C[C@@H](C)CC(C)(C)C1 ZINC000344013716 395048137 /nfs/dbraw/zinc/04/81/37/395048137.db2.gz CQZOHMUUYRGKEC-KBPBESRZSA-N 0 3 279.428 2.363 20 30 CEEDHN C#Cc1ccc(CN[C@@H](CO)C[C@H](O)c2ccccc2)cc1 ZINC000290338675 395100003 /nfs/dbraw/zinc/10/00/03/395100003.db2.gz KYSCEFSXPJMHBE-MOPGFXCFSA-N 0 3 295.382 2.242 20 30 CEEDHN C=C(C)CN1CCC(Nc2cc(C)ncc2C#N)CC1 ZINC000425224045 395052577 /nfs/dbraw/zinc/05/25/77/395052577.db2.gz KKXVMHBBPKNSGX-UHFFFAOYSA-N 0 3 270.380 2.136 20 30 CEEDHN CC#CCCN1CCCC[C@H]1Cn1nc(C)nc1C ZINC000375848625 395100224 /nfs/dbraw/zinc/10/02/24/395100224.db2.gz LEVGKTQCGOVMGA-HNNXBMFYSA-N 0 3 260.385 2.163 20 30 CEEDHN C=CCCC(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC000374296878 395079872 /nfs/dbraw/zinc/07/98/72/395079872.db2.gz QQGNULKUFLLYFC-GJZGRUSLSA-N 0 3 258.365 2.167 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346155626 395088748 /nfs/dbraw/zinc/08/87/48/395088748.db2.gz ATWUQJYORMOEDZ-CAOSSQGBSA-N 0 3 294.439 2.156 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000171718217 395097065 /nfs/dbraw/zinc/09/70/65/395097065.db2.gz UJELMRPQAKNWAC-UHFFFAOYSA-N 0 3 290.411 2.087 20 30 CEEDHN CC#CCCN1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000156565891 395032558 /nfs/dbraw/zinc/03/25/58/395032558.db2.gz SPWDWEWZXHEGIG-UHFFFAOYSA-N 0 3 285.391 2.454 20 30 CEEDHN C[C@@H](C#N)CN(C)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000343151100 395033539 /nfs/dbraw/zinc/03/35/39/395033539.db2.gz GFVXYSWWCQNRED-DZGCQCFKSA-N 0 3 277.412 2.402 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000290288685 395098803 /nfs/dbraw/zinc/09/88/03/395098803.db2.gz MQGMDNWJNSYOMT-OAGGEKHMSA-N 0 3 298.390 2.465 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000290288685 395098805 /nfs/dbraw/zinc/09/88/05/395098805.db2.gz MQGMDNWJNSYOMT-OAGGEKHMSA-N 0 3 298.390 2.465 20 30 CEEDHN C#CCC(CC#C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000287589078 395043582 /nfs/dbraw/zinc/04/35/82/395043582.db2.gz HBTJOJNUVWXBQA-ZWKOTPCHSA-N 0 3 294.398 2.211 20 30 CEEDHN C#CCN(CC)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000287729508 395045731 /nfs/dbraw/zinc/04/57/31/395045731.db2.gz BSZNXYHQVQFSFL-HOCLYGCPSA-N 0 3 287.407 2.343 20 30 CEEDHN CN1CCC(CC(=O)N(CC#N)C2CCCC2)CC1 ZINC000347006550 395117627 /nfs/dbraw/zinc/11/76/27/395117627.db2.gz CVTPQWXMKWZLIN-UHFFFAOYSA-N 0 3 263.385 2.013 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000376407047 395119527 /nfs/dbraw/zinc/11/95/27/395119527.db2.gz KWTSDKMOHBLRPL-QKPAOTATSA-N 0 3 292.423 2.053 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)[C@H]1OCCc2sccc21 ZINC000346774096 395105276 /nfs/dbraw/zinc/10/52/76/395105276.db2.gz GPSUBUVTDBUUBX-KBVBSXBZSA-N 0 3 264.350 2.026 20 30 CEEDHN C#Cc1ccccc1CC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000290515492 395106339 /nfs/dbraw/zinc/10/63/39/395106339.db2.gz UGOGSJVQZVAJIU-GOSISDBHSA-N 0 3 296.414 2.344 20 30 CEEDHN C=CC[C@@H](C)NCc1cnc(C2OCCO2)s1 ZINC000290534670 395107137 /nfs/dbraw/zinc/10/71/37/395107137.db2.gz YHEIPFOZLPIJLB-SECBINFHSA-N 0 3 254.355 2.243 20 30 CEEDHN COc1ccc(CN2CCCC[C@H]2C2(O)CC2)cc1C#N ZINC000516629309 395179941 /nfs/dbraw/zinc/17/99/41/395179941.db2.gz SIMPNUIWEAOSLH-INIZCTEOSA-N 0 3 286.375 2.446 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@H](C)[C@H](O)C2)cc1OC ZINC000349346845 395166032 /nfs/dbraw/zinc/16/60/32/395166032.db2.gz LCJVKVATNGHXNK-DZGCQCFKSA-N 0 3 291.391 2.463 20 30 CEEDHN C=CCc1cc(CN2CC[C@@H](C)[C@H](O)C2)cc(OC)c1O ZINC000349366596 395167041 /nfs/dbraw/zinc/16/70/41/395167041.db2.gz JUMJXTXTDKUUTK-IUODEOHRSA-N 0 3 291.391 2.332 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000519829726 395225909 /nfs/dbraw/zinc/22/59/09/395225909.db2.gz XBLXHJCYLJXXKJ-ZFWWWQNUSA-N 0 3 287.319 2.124 20 30 CEEDHN C#CCNC(=O)CCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000293592311 395241935 /nfs/dbraw/zinc/24/19/35/395241935.db2.gz UNYYGFZZAHDMOQ-OAHLLOKOSA-N 0 3 274.339 2.102 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNc1nc(C)cc(C#N)n1)C(C)C ZINC000439110474 395249091 /nfs/dbraw/zinc/24/90/91/395249091.db2.gz YQFARKCRDKXJFF-INIZCTEOSA-N 0 3 299.422 2.189 20 30 CEEDHN N#Cc1ccccc1N1CCN(CC[C@@H]2CCOC2)CC1 ZINC000437582397 395188027 /nfs/dbraw/zinc/18/80/27/395188027.db2.gz YIFTXLNNOQOPCP-OAHLLOKOSA-N 0 3 285.391 2.107 20 30 CEEDHN CO[C@@](C)([C@@H](C)NCc1ccc(C#N)cn1)C1CC1 ZINC000519605482 395197544 /nfs/dbraw/zinc/19/75/44/395197544.db2.gz JOIAXKFKCQWUEU-ABAIWWIYSA-N 0 3 259.353 2.246 20 30 CEEDHN N#CC(C(=O)c1cnn2c1CCC2)c1nc2ccccc2[nH]1 ZINC000519685411 395207494 /nfs/dbraw/zinc/20/74/94/395207494.db2.gz UOXWWVLPSOXSDB-JTQLQIEISA-N 0 3 291.314 2.196 20 30 CEEDHN C=C(C)CCN1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000352412130 395251753 /nfs/dbraw/zinc/25/17/53/395251753.db2.gz CCWHDZHRWXMFKM-INIZCTEOSA-N 0 3 282.428 2.348 20 30 CEEDHN C=CCOCCN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000293809216 395251974 /nfs/dbraw/zinc/25/19/74/395251974.db2.gz OATXYZOBOGAXRT-CYBMUJFWSA-N 0 3 276.384 2.064 20 30 CEEDHN CC(C)OCCO/N=C/c1ccc(N2CCOCC2)cc1 ZINC000181531170 395219053 /nfs/dbraw/zinc/21/90/53/395219053.db2.gz XWAQKIZIJQKAMD-GHRIWEEISA-N 0 3 292.379 2.299 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCCO[C@H](C(C)C)C1 ZINC000293118712 395219787 /nfs/dbraw/zinc/21/97/87/395219787.db2.gz MCRWINDPKSGSSY-HOTGVXAUSA-N 0 3 294.439 2.322 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000411305621 395325090 /nfs/dbraw/zinc/32/50/90/395325090.db2.gz DODVUWJMYTUHRU-NEPJUHHUSA-N 0 3 252.358 2.342 20 30 CEEDHN CC1(C)C[C@@H](O)CCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000295197451 395288028 /nfs/dbraw/zinc/28/80/28/395288028.db2.gz BJBFWGFQPMZIEV-JKSUJKDBSA-N 0 3 288.391 2.075 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](Cn2ccnn2)C1 ZINC000186311147 395288534 /nfs/dbraw/zinc/28/85/34/395288534.db2.gz OPPDSKJSXLEYIE-INIZCTEOSA-N 0 3 295.390 2.370 20 30 CEEDHN CC[C@@]1(CO)CCCN1Cc1cccc(C#N)c1F ZINC000439300117 395259636 /nfs/dbraw/zinc/25/96/36/395259636.db2.gz YBCDAWYDBIKYNJ-HNNXBMFYSA-N 0 3 262.328 2.434 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc(C#N)cs1 ZINC000352888443 395274546 /nfs/dbraw/zinc/27/45/46/395274546.db2.gz GZHBBZCTJMZTJX-GWCFXTLKSA-N 0 3 263.366 2.086 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCSC2)CC1 ZINC000352917225 395276521 /nfs/dbraw/zinc/27/65/21/395276521.db2.gz UYLMELRHDCZXPQ-ZDUSSCGKSA-N 0 3 297.468 2.079 20 30 CEEDHN CCNC(=O)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442708723 395390949 /nfs/dbraw/zinc/39/09/49/395390949.db2.gz KYUJIGWVADKEGB-DZGCQCFKSA-N 0 3 271.364 2.218 20 30 CEEDHN CS(=O)(=O)Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442714425 395391933 /nfs/dbraw/zinc/39/19/33/395391933.db2.gz LJKQMGFNGUEBJK-HUUCEWRRSA-N 0 3 292.404 2.013 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCCNC(=O)c2ccc(Cl)cc2)C1 ZINC000442788621 395394970 /nfs/dbraw/zinc/39/49/70/395394970.db2.gz WYNPTUMLMLQOAW-SMDDNHRTSA-N 0 3 291.782 2.352 20 30 CEEDHN COc1cc([C@@H](C)N[C@H](C)CCC#N)ccc1OCCO ZINC000411460096 395328613 /nfs/dbraw/zinc/32/86/13/395328613.db2.gz QURVDNKXGJWFRW-CHWSQXEVSA-N 0 3 292.379 2.409 20 30 CEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)OC(C)(C)C ZINC000411648199 395333455 /nfs/dbraw/zinc/33/34/55/395333455.db2.gz ZUFDUUNBNDQGRE-CYBMUJFWSA-N 0 3 270.417 2.156 20 30 CEEDHN C=CCN(C)CCN(CC)C[C@@H](O)Cc1ccc(F)cc1 ZINC000411645000 395334130 /nfs/dbraw/zinc/33/41/30/395334130.db2.gz KISJJTNMPFAVAB-KRWDZBQOSA-N 0 3 294.414 2.169 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1cncc(OC)c1 ZINC000411648806 395334291 /nfs/dbraw/zinc/33/42/91/395334291.db2.gz QJCSSSIMRPSERI-UHFFFAOYSA-N 0 3 263.385 2.030 20 30 CEEDHN C=CCN(C)CCN(CC)[C@H](C)c1csnn1 ZINC000411649319 395334680 /nfs/dbraw/zinc/33/46/80/395334680.db2.gz RIYKLJMGFPXBHB-LLVKDONJSA-N 0 3 254.403 2.039 20 30 CEEDHN Cc1cc(C#N)cnc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530025441 395453570 /nfs/dbraw/zinc/45/35/70/395453570.db2.gz DZAXCBAQBLJWEF-HNNXBMFYSA-N 0 3 298.390 2.008 20 30 CEEDHN N#Cc1csc(CNC[C@@H](O)Cc2cccc(F)c2)c1 ZINC000449364181 395545974 /nfs/dbraw/zinc/54/59/74/395545974.db2.gz QGCRHIYDMMREGV-AWEZNQCLSA-N 0 3 290.363 2.452 20 30 CEEDHN Cc1cnccc1CNCCOc1ccc(C#N)cc1 ZINC000565697413 395480896 /nfs/dbraw/zinc/48/08/96/395480896.db2.gz YMXBQXFGDKDTKB-UHFFFAOYSA-N 0 3 267.332 2.430 20 30 CEEDHN CC(C)[C@@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000446714825 395496243 /nfs/dbraw/zinc/49/62/43/395496243.db2.gz NQENGEFPBYRQPD-MRXNPFEDSA-N 0 3 285.391 2.152 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)[C@H]1CCN(C2CC2)C1 ZINC000447044718 395504367 /nfs/dbraw/zinc/50/43/67/395504367.db2.gz ODWGITYRPCRJAD-INIZCTEOSA-N 0 3 285.391 2.235 20 30 CEEDHN CO[C@@H]([C@@H](C)NCc1cnc2ccc(C#N)cn12)C1CC1 ZINC000449631182 395557734 /nfs/dbraw/zinc/55/77/34/395557734.db2.gz OIQXKWOQBKDEJW-BZNIZROVSA-N 0 3 284.363 2.109 20 30 CEEDHN C=CCOc1cccc(CN(CCO)[C@H]2CCO[C@H]2C)c1 ZINC000449675607 395560219 /nfs/dbraw/zinc/56/02/19/395560219.db2.gz AULLFQXNQVHDLU-YOEHRIQHSA-N 0 3 291.391 2.223 20 30 CEEDHN CC(C#N)C(=O)N1CCC(F)(c2ccccn2)CC1 ZINC000570521313 395582467 /nfs/dbraw/zinc/58/24/67/395582467.db2.gz OIWKSQVPGOOPKW-NSHDSACASA-N 0 3 261.300 2.028 20 30 CEEDHN N#Cc1ccc(CN2CCC(NCC3(C#N)CC3)CC2)cc1 ZINC000571716329 395584391 /nfs/dbraw/zinc/58/43/91/395584391.db2.gz JKVRJIXCXCGADQ-UHFFFAOYSA-N 0 3 294.402 2.416 20 30 CEEDHN CCOCCO[C@H]1CCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000488145942 395668152 /nfs/dbraw/zinc/66/81/52/395668152.db2.gz HHUZIAAFFJECPQ-KRWDZBQOSA-N 0 3 288.391 2.494 20 30 CEEDHN C#CCN(C[C@@H](O)Cc1cccc(Cl)c1)C1CC1 ZINC000491668481 395670261 /nfs/dbraw/zinc/67/02/61/395670261.db2.gz YPBKYAURBGFKRU-HNNXBMFYSA-N 0 3 263.768 2.341 20 30 CEEDHN C=CCn1cc(C(=O)Nc2cc(C)cc(CN(C)C)c2)nn1 ZINC000648842348 395997975 /nfs/dbraw/zinc/99/79/75/395997975.db2.gz PYTNLJDRUXQRCN-UHFFFAOYSA-N 0 3 299.378 2.086 20 30 CEEDHN CC#CCN1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC000649778901 396257173 /nfs/dbraw/zinc/25/71/73/396257173.db2.gz FKVNIMHIKMXFPZ-JSGCOSHPSA-N 0 3 273.380 2.471 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC000345937336 400369840 /nfs/dbraw/zinc/36/98/40/400369840.db2.gz OZHHJFFMPSIKMV-CVEARBPZSA-N 0 3 294.439 2.204 20 30 CEEDHN CC[C@H]1[C@H](CO)CCN1Cc1ccc(OC)c(C#N)c1 ZINC000395081236 400554213 /nfs/dbraw/zinc/55/42/13/400554213.db2.gz ADEDPSPOQPEXQU-ZFWWWQNUSA-N 0 3 274.364 2.160 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NC1CCCCCC1 ZINC000650075840 400793779 /nfs/dbraw/zinc/79/37/79/400793779.db2.gz BFBPXUKVHAEAFM-CABCVRRESA-N 0 3 280.412 2.149 20 30 CEEDHN C=C(C)Cn1c(CC)nnc1N1CCCN(C(C)C)CC1 ZINC000651541047 401354532 /nfs/dbraw/zinc/35/45/32/401354532.db2.gz YNRXRNGTMNXPCA-UHFFFAOYSA-N 0 3 291.443 2.337 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cnnn1-c1ccccc1 ZINC000651792723 401392322 /nfs/dbraw/zinc/39/23/22/401392322.db2.gz DAWUUKIKTIXXRW-WMLDXEAASA-N 0 3 298.390 2.338 20 30 CEEDHN C=CC[C@H]1CC[C@@H](NCc2nnc3n2CCCC3)C1 ZINC000651950224 401423003 /nfs/dbraw/zinc/42/30/03/401423003.db2.gz LRQNKDVQVUPDDO-QWHCGFSZSA-N 0 3 260.385 2.449 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](CO)CCF)cc1 ZINC000652014444 401431634 /nfs/dbraw/zinc/43/16/34/401431634.db2.gz AJPKIYRZXIRZOS-CYBMUJFWSA-N 0 3 253.317 2.062 20 30 CEEDHN CCOC(=O)C[C@H](C)N(C)Cc1ccc(C#N)c(F)c1 ZINC000192174637 153202691 /nfs/dbraw/zinc/20/26/91/153202691.db2.gz AWWXCQYDOIJYTC-NSHDSACASA-N 0 3 278.327 2.471 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](SC)C1 ZINC000296073523 154173194 /nfs/dbraw/zinc/17/31/94/154173194.db2.gz CCJXVVPTUGRZPK-CYBMUJFWSA-N 0 3 292.404 2.383 20 30 CEEDHN C[C@@H]1C[C@H](C)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000334832005 154236074 /nfs/dbraw/zinc/23/60/74/154236074.db2.gz OYNALSRAZOPJLE-NEPJUHHUSA-N 0 3 254.337 2.436 20 30 CEEDHN C[C@@]1(NCc2cnc3ccc(C#N)cn23)CCO[C@H]1C1CC1 ZINC000367437045 156188609 /nfs/dbraw/zinc/18/86/09/156188609.db2.gz HUQRCJIMBZJGDC-DLBZAZTESA-N 0 3 296.374 2.253 20 30 CEEDHN N#Cc1cnccc1NC[C@@H]1CCCN1Cc1ccccc1 ZINC000368375780 156328959 /nfs/dbraw/zinc/32/89/59/156328959.db2.gz XSYXVVRNURMKRW-KRWDZBQOSA-N 0 3 292.386 2.452 20 30 CEEDHN C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1)c1cccc(C#N)c1 ZINC000376177307 157195106 /nfs/dbraw/zinc/19/51/06/157195106.db2.gz GSNBOVQRNPPAEG-CZUORRHYSA-N 0 3 295.390 2.221 20 30 CEEDHN CO[C@@H]1[C@H](C)[C@@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000558236446 298583876 /nfs/dbraw/zinc/58/38/76/298583876.db2.gz XEMZXHVUUGCGOM-LERXQTSPSA-N 0 3 259.353 2.102 20 30 CEEDHN N#Cc1cccnc1OC1CCC(NCc2cocn2)CC1 ZINC000562360902 298679822 /nfs/dbraw/zinc/67/98/22/298679822.db2.gz AXWLZLWKOCEJHA-UHFFFAOYSA-N 0 3 298.346 2.421 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)c1cc(C#N)ccc1Cl ZINC000285033553 196182557 /nfs/dbraw/zinc/18/25/57/196182557.db2.gz PDKIVGUTEHIKQA-LBPRGKRZSA-N 0 3 291.782 2.426 20 30 CEEDHN COc1cc(C#N)ccc1OCCN(C)[C@H]1C[C@@H](OC)C1 ZINC000285371005 196262828 /nfs/dbraw/zinc/26/28/28/196262828.db2.gz MMPUTMQHEOFCHM-OKILXGFUSA-N 0 3 290.363 2.055 20 30 CEEDHN CO[C@H]1C[C@@H](N(C)CCOc2ccc(C#N)cc2)C1 ZINC000285423372 196280003 /nfs/dbraw/zinc/28/00/03/196280003.db2.gz QKMFSMJQUCWAQU-OTVXOJSOSA-N 0 3 260.337 2.046 20 30 CEEDHN C[C@@H]1CCSCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000285701240 196371720 /nfs/dbraw/zinc/37/17/20/196371720.db2.gz CRAHCTMUBNWCDB-IUODEOHRSA-N 0 3 276.405 2.419 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662857773 414777572 /nfs/dbraw/zinc/77/75/72/414777572.db2.gz OYWZFQNRADYZKG-CYBMUJFWSA-N 0 3 262.397 2.463 20 30 CEEDHN Cc1cc(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c(C#N)cn1 ZINC000425270012 414814310 /nfs/dbraw/zinc/81/43/10/414814310.db2.gz RZWASAFUTWOQET-DVOMOZLQSA-N 0 3 284.407 2.428 20 30 CEEDHN C=CCCn1cc(CNC[C@H]2Cc3ccccc32)nn1 ZINC000657347005 414874165 /nfs/dbraw/zinc/87/41/65/414874165.db2.gz KYZQPEGLHUJADC-CQSZACIVSA-N 0 3 268.364 2.284 20 30 CEEDHN C=CCCn1cc(CN[C@@H](C)CC(C)(C)OC)nn1 ZINC000657376562 414896839 /nfs/dbraw/zinc/89/68/39/414896839.db2.gz MBTSZVICVICTPU-LBPRGKRZSA-N 0 3 266.389 2.147 20 30 CEEDHN C=CCCn1cc(CNCCCC2CCOCC2)nn1 ZINC000657476778 414960024 /nfs/dbraw/zinc/96/00/24/414960024.db2.gz LTQUTALHOLWNKF-UHFFFAOYSA-N 0 3 278.400 2.151 20 30 CEEDHN C=CCN(CC=C)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654724233 415019657 /nfs/dbraw/zinc/01/96/57/415019657.db2.gz AIIKKNRDWHHSPQ-HUUCEWRRSA-N 0 3 277.412 2.387 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C(F)(F)F)nn1C ZINC000657484279 414964619 /nfs/dbraw/zinc/96/46/19/414964619.db2.gz XZHDYONIBWDHHC-MNOVXSKESA-N 0 3 289.301 2.262 20 30 CEEDHN C=CCCn1cc(CNCCC2CC(F)(F)C2)nn1 ZINC000657487412 414966688 /nfs/dbraw/zinc/96/66/88/414966688.db2.gz JYUFZGZOABTADZ-UHFFFAOYSA-N 0 3 270.327 2.379 20 30 CEEDHN C=CCCCCNC(=O)N[C@@H]1CCN(CCC)C1 ZINC000661033311 415071489 /nfs/dbraw/zinc/07/14/89/415071489.db2.gz GIGHHGTWAOCLFC-CYBMUJFWSA-N 0 3 253.390 2.126 20 30 CEEDHN C=CCCn1cc(CN(C)C(C2CC2)C2CC2)nn1 ZINC000653526222 415025998 /nfs/dbraw/zinc/02/59/98/415025998.db2.gz WYPQWACRUFODFE-UHFFFAOYSA-N 0 3 260.385 2.475 20 30 CEEDHN C=CCN(C[C@H](O)COc1ccccc1F)[C@H](C)COC ZINC000661249056 415159036 /nfs/dbraw/zinc/15/90/36/415159036.db2.gz YNMMLYHWYANPIL-KGLIPLIRSA-N 0 3 297.370 2.088 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NCC(=O)Nc1nncs1 ZINC000661116721 415103443 /nfs/dbraw/zinc/10/34/43/415103443.db2.gz ZJPFEZZUZPELDO-GHMZBOCLSA-N 0 3 280.397 2.201 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@]23C[C@@H]2CCC3)CC1 ZINC000664017552 415125427 /nfs/dbraw/zinc/12/54/27/415125427.db2.gz YDYNZGFRLMCUCW-BBRMVZONSA-N 0 3 277.412 2.269 20 30 CEEDHN C=CCCNC(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000661255256 415163666 /nfs/dbraw/zinc/16/36/66/415163666.db2.gz HBRIUWOPOPHWNN-AWEZNQCLSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCC1(NC(=O)NCCN(C)C2CC2)CCCC1 ZINC000664094106 415164831 /nfs/dbraw/zinc/16/48/31/415164831.db2.gz KPWNUGHEZRPDPI-UHFFFAOYSA-N 0 3 265.401 2.269 20 30 CEEDHN C=CCCN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000658114158 415218301 /nfs/dbraw/zinc/21/83/01/415218301.db2.gz LYTSJNSTYUZYRP-GFCCVEGCSA-N 0 3 253.367 2.015 20 30 CEEDHN CC(=O)c1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000655420361 415257475 /nfs/dbraw/zinc/25/74/75/415257475.db2.gz RDKXQGIFVHPPKQ-AWEZNQCLSA-N 0 3 273.336 2.239 20 30 CEEDHN C=CCCN(C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659045746 415396804 /nfs/dbraw/zinc/39/68/04/415396804.db2.gz YTLWUXXGDALQNL-HNNXBMFYSA-N 0 3 289.379 2.387 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@](O)(C2CC2)C1 ZINC000661631166 415373924 /nfs/dbraw/zinc/37/39/24/415373924.db2.gz DTJQCSWZEUUDMQ-YOEHRIQHSA-N 0 3 294.439 2.036 20 30 CEEDHN C=CCC1(NC(=O)Nc2cccc(CN)c2)CCOCC1 ZINC000659017475 415389962 /nfs/dbraw/zinc/38/99/62/415389962.db2.gz FGWIWMJGQWIEOP-UHFFFAOYSA-N 0 3 289.379 2.392 20 30 CEEDHN C=CCN(CC(=O)NCCOc1ccccc1)C(C)(C)C ZINC000661755481 415446173 /nfs/dbraw/zinc/44/61/73/415446173.db2.gz NBAISRVLMITNNL-UHFFFAOYSA-N 0 3 290.407 2.468 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CSCCN1 ZINC000659329792 415518648 /nfs/dbraw/zinc/51/86/48/415518648.db2.gz RRGMXZCBPCLPHK-MCIONIFRSA-N 0 3 282.453 2.333 20 30 CEEDHN C=C(C)CN(CC)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665367961 415715158 /nfs/dbraw/zinc/71/51/58/415715158.db2.gz JBSZKAOXYWIKTQ-CYBMUJFWSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CC[C@]1(C(=O)Nc2ccc(-c3nnc[n-]3)cc2)CCC[NH2+]1 ZINC000662587812 415894581 /nfs/dbraw/zinc/89/45/81/415894581.db2.gz LXMBREVPILEXDO-MRXNPFEDSA-N 0 3 297.362 2.109 20 30 CEEDHN C=CCNC(=O)CN1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000076392108 177014456 /nfs/dbraw/zinc/01/44/56/177014456.db2.gz JUFUOINWTSDTCG-UKRRQHHQSA-N 0 3 288.391 2.175 20 30 CEEDHN C=C(C)CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000076397360 177014955 /nfs/dbraw/zinc/01/49/55/177014955.db2.gz NBRDIXPQGHVJEI-CYBMUJFWSA-N 0 3 256.353 2.485 20 30 CEEDHN N#CC(C(=O)c1cccc(-n2cccn2)n1)c1ccccn1 ZINC000077865840 177304404 /nfs/dbraw/zinc/30/44/04/177304404.db2.gz IBBCDQUTOSHXRU-GFCCVEGCSA-N 0 3 289.298 2.152 20 30 CEEDHN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)C(C)C#N ZINC000344784334 225167830 /nfs/dbraw/zinc/16/78/30/225167830.db2.gz YSSNLWJZVCANAT-DGCLKSJQSA-N 0 3 272.348 2.391 20 30 CEEDHN CC(C#N)C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000347081232 226040984 /nfs/dbraw/zinc/04/09/84/226040984.db2.gz XIUCGOFCXWTHHW-NSHDSACASA-N 0 3 273.336 2.179 20 30 CEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000347082979 226042957 /nfs/dbraw/zinc/04/29/57/226042957.db2.gz YTFIBVLVVVISDU-VNHYZAJKSA-N 0 3 271.364 2.098 20 30 CEEDHN C[C@H](C#N)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000347088049 226045302 /nfs/dbraw/zinc/04/53/02/226045302.db2.gz PKTRPFXZFGXIFG-ZIAGYGMSSA-N 0 3 285.391 2.488 20 30 CEEDHN CC(C#N)C(=O)NCc1cc(N(C)C)nc2ccccc12 ZINC000347191866 226056223 /nfs/dbraw/zinc/05/62/23/226056223.db2.gz IEKIQHKTJBPNRN-LLVKDONJSA-N 0 3 282.347 2.077 20 30 CEEDHN COCc1ccccc1C(=O)C(C#N)c1ccncn1 ZINC000354482234 227012271 /nfs/dbraw/zinc/01/22/71/227012271.db2.gz ZHGIBIUPQJEBMX-CYBMUJFWSA-N 0 3 267.288 2.113 20 30 CEEDHN Cc1csc(NC2CCN(C(=O)C(C)C#N)CC2)n1 ZINC000354511007 227018584 /nfs/dbraw/zinc/01/85/84/227018584.db2.gz WHNDPECVWYQEGY-SECBINFHSA-N 0 3 278.381 2.014 20 30 CEEDHN C[C@@H](CNCc1cc(C#N)n(C)c1)c1nccs1 ZINC000191594253 227055864 /nfs/dbraw/zinc/05/58/64/227055864.db2.gz XZRPXADHUUAAAU-JTQLQIEISA-N 0 3 260.366 2.247 20 30 CEEDHN CC(C#N)C(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000336558616 227115662 /nfs/dbraw/zinc/11/56/62/227115662.db2.gz JIZMNNGLHNWQRK-LBPRGKRZSA-N 0 3 270.332 2.268 20 30 CEEDHN CN(C)C(=O)c1ccccc1CNCC(C)(C)CC#N ZINC000418085859 228019911 /nfs/dbraw/zinc/01/99/11/228019911.db2.gz BGAZWYOMYFRORT-UHFFFAOYSA-N 0 3 273.380 2.418 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C3CCC3)C2)CC1 ZINC000665713075 419402466 /nfs/dbraw/zinc/40/24/66/419402466.db2.gz PVNHKBWNLCXFHT-OAHLLOKOSA-N 0 3 291.439 2.468 20 30 CEEDHN C#Cc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000297804029 260135126 /nfs/dbraw/zinc/13/51/26/260135126.db2.gz YHCUEEFSBIPSEZ-SJORKVTESA-N 0 3 297.402 2.046 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](CC)N(C)C ZINC000298894823 260168919 /nfs/dbraw/zinc/16/89/19/260168919.db2.gz MSFUGSYXYTVRMH-INIZCTEOSA-N 0 3 285.391 2.413 20 30 CEEDHN C#CCN(CC)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000299326575 260183027 /nfs/dbraw/zinc/18/30/27/260183027.db2.gz GIQZTOLTQJHQOS-INIZCTEOSA-N 0 3 287.407 2.262 20 30 CEEDHN CS[C@H](CO)[C@@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC000127227039 260361648 /nfs/dbraw/zinc/36/16/48/260361648.db2.gz TWEGTLSNDILGKB-GOTCIRLWSA-N 0 3 290.432 2.312 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCCNc2ccc3ccccc3n2)C1 ZINC000518298157 260370304 /nfs/dbraw/zinc/37/03/04/260370304.db2.gz MEHKFPSHRSYMPY-UKRRQHHQSA-N 0 3 280.375 2.350 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1C[C@@H]2CCCC[C@H]2C1 ZINC000177562350 261361378 /nfs/dbraw/zinc/36/13/78/261361378.db2.gz LPXZDRLIFCXLJR-GJZGRUSLSA-N 0 3 262.397 2.309 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000491453944 261602581 /nfs/dbraw/zinc/60/25/81/261602581.db2.gz UQXPULRERCCLLN-CQSZACIVSA-N 0 3 264.413 2.274 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000107632691 261896617 /nfs/dbraw/zinc/89/66/17/261896617.db2.gz KULAEMMHCWZJAB-HZPDHXFCSA-N 0 3 294.439 2.445 20 30 CEEDHN COC(=O)COc1ccc([C@H](C)NCCCC#N)cc1 ZINC000185665856 262065463 /nfs/dbraw/zinc/06/54/63/262065463.db2.gz PNWPFYJHYHGOKZ-LBPRGKRZSA-N 0 3 276.336 2.193 20 30 CEEDHN COc1cccc([C@H](O)CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185713640 262067649 /nfs/dbraw/zinc/06/76/49/262067649.db2.gz LOIXFVBEQRZZIT-DUVNUKRYSA-N 0 3 274.364 2.401 20 30 CEEDHN CC#CCCN1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000364022123 262104949 /nfs/dbraw/zinc/10/49/49/262104949.db2.gz ITRDTQWTXGPOJW-GFCCVEGCSA-N 0 3 277.393 2.207 20 30 CEEDHN CC#CCCN1CCC[C@@H]1c1ccc(CNC(C)=O)o1 ZINC000364059537 262130003 /nfs/dbraw/zinc/13/00/03/262130003.db2.gz XOSWMJFMNBOJLA-OAHLLOKOSA-N 0 3 274.364 2.466 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(NC(N)=O)cc2)C1 ZINC000192645755 262207027 /nfs/dbraw/zinc/20/70/27/262207027.db2.gz GPZNAXRPEXTOBF-OCCSQVGLSA-N 0 3 272.352 2.349 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(CO)c(F)c2)C1 ZINC000192724667 262209333 /nfs/dbraw/zinc/20/93/33/262209333.db2.gz XFJYEDQAWOIVMD-BXUZGUMPSA-N 0 3 262.328 2.490 20 30 CEEDHN COc1ccccc1[C@H](O)CN[C@@H]1CCC[C@H](C#N)C1 ZINC000192712310 262209408 /nfs/dbraw/zinc/20/94/08/262209408.db2.gz ZBPDWVDHTUXOJX-GZBFAFLISA-N 0 3 274.364 2.401 20 30 CEEDHN C[C@H]1OCC[C@@]12CN(CCCC(C)(C)C#N)CCO2 ZINC000365548813 262369609 /nfs/dbraw/zinc/36/96/09/262369609.db2.gz ALAJAGRISUJSCS-UKRRQHHQSA-N 0 3 266.385 2.196 20 30 CEEDHN C=C(C)CNC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000154281270 262744826 /nfs/dbraw/zinc/74/48/26/262744826.db2.gz YWMYWIMETILYIW-UHFFFAOYSA-N 0 3 287.407 2.134 20 30 CEEDHN COc1cc(CNCCCC#N)ccc1OC(=O)C1CC1 ZINC000273129596 263013042 /nfs/dbraw/zinc/01/30/42/263013042.db2.gz BHUVKZLPJWQDKU-UHFFFAOYSA-N 0 3 288.347 2.404 20 30 CEEDHN N#Cc1cccc(CN2CC[C@H](CCCO)C2)c1F ZINC000452116689 263037988 /nfs/dbraw/zinc/03/79/88/263037988.db2.gz HGIKVVGHBVNMCC-LBPRGKRZSA-N 0 3 262.328 2.292 20 30 CEEDHN CO[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@@H]1OC ZINC000276791409 263038084 /nfs/dbraw/zinc/03/80/84/263038084.db2.gz BOOYOGSKKKRMJT-IYBDPMFKSA-N 0 3 288.391 2.333 20 30 CEEDHN Cn1cc([C@H]2OCCC[C@@H]2N[C@H]2CCC[C@H](C#N)C2)cn1 ZINC000278457163 263048315 /nfs/dbraw/zinc/04/83/15/263048315.db2.gz ZDCADQCXMRCZIQ-QCEMKRCNSA-N 0 3 288.395 2.312 20 30 CEEDHN C=CCN(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279406054 263055464 /nfs/dbraw/zinc/05/54/64/263055464.db2.gz MXXJNGHTJHKHKO-UHFFFAOYSA-N 0 3 281.363 2.477 20 30 CEEDHN CCCCN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279782041 263057156 /nfs/dbraw/zinc/05/71/56/263057156.db2.gz ULSQXHMVFHJOPP-OAHLLOKOSA-N 0 3 269.348 2.499 20 30 CEEDHN C[C@H](NC(=O)C1(C#N)CCC1)[C@H](c1ccccc1)N(C)C ZINC000280137410 263059156 /nfs/dbraw/zinc/05/91/56/263059156.db2.gz VPZZAWWOWLWJSP-DZGCQCFKSA-N 0 3 285.391 2.488 20 30 CEEDHN C=C[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000340097362 263069478 /nfs/dbraw/zinc/06/94/78/263069478.db2.gz LCNDVDSIXGDFCH-NWANDNLSSA-N 0 3 273.380 2.306 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@@H](c2cccs2)C[C@H]1C ZINC000366616572 263076484 /nfs/dbraw/zinc/07/64/84/263076484.db2.gz BACSXJNPOKBTOT-AGIUHOORSA-N 0 3 276.405 2.064 20 30 CEEDHN N#CC1CCC(CN[C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000282542587 263077276 /nfs/dbraw/zinc/07/72/76/263077276.db2.gz XSWQYBCBNYWYCQ-KOHJWAIASA-N 0 3 289.354 2.272 20 30 CEEDHN N#CC1CCN(C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283485486 263083037 /nfs/dbraw/zinc/08/30/37/263083037.db2.gz JJHLMAXCLRUNSF-MRXNPFEDSA-N 0 3 297.402 2.384 20 30 CEEDHN N#CCCCCN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290095088 263114515 /nfs/dbraw/zinc/11/45/15/263114515.db2.gz ZVHOYZKWYKKZAE-LBPRGKRZSA-N 0 3 252.749 2.477 20 30 CEEDHN CN(C)CCOc1ccc(NC(=O)CCCC#N)cc1 ZINC000292236132 263129917 /nfs/dbraw/zinc/12/99/17/263129917.db2.gz FZEPZUOGLCOSJD-UHFFFAOYSA-N 0 3 275.352 2.259 20 30 CEEDHN N#C[C@H]1CCC[C@@H](N[C@H](CC(N)=O)c2ccccc2)C1 ZINC000293705238 263147441 /nfs/dbraw/zinc/14/74/41/263147441.db2.gz RYAQDQHPLFDCKB-NWANDNLSSA-N 0 3 271.364 2.275 20 30 CEEDHN C=CCN(CCC#N)C(=O)[C@H](C)N1CCCCCC1 ZINC000293920185 263152481 /nfs/dbraw/zinc/15/24/81/263152481.db2.gz SNSHHCLJBFNNMF-AWEZNQCLSA-N 0 3 263.385 2.179 20 30 CEEDHN CN(CCC#N)c1ccc(CN2CC3(C2)CCOC3)cc1 ZINC000294018787 263154701 /nfs/dbraw/zinc/15/47/01/263154701.db2.gz NLKMPLYKPFFYIC-UHFFFAOYSA-N 0 3 285.391 2.259 20 30 CEEDHN N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000295125394 263172634 /nfs/dbraw/zinc/17/26/34/263172634.db2.gz XGKCEEPPGKPHPI-JQWIXIFHSA-N 0 3 274.320 2.293 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@@H](OCc2ccncc2)C1 ZINC000298524918 263221242 /nfs/dbraw/zinc/22/12/42/263221242.db2.gz LTFDDHNPSMMLDO-UKRRQHHQSA-N 0 3 259.353 2.365 20 30 CEEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc(C(=O)OC)cs1 ZINC000353621272 263271968 /nfs/dbraw/zinc/27/19/68/263271968.db2.gz LKYXTUDJHWGUMK-WDEREUQCSA-N 0 3 283.393 2.370 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000340716095 263303360 /nfs/dbraw/zinc/30/33/60/263303360.db2.gz NNPOZEGQJYHNOJ-WDEREUQCSA-N 0 3 284.319 2.116 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCCS2)CC1 ZINC000341059445 263319999 /nfs/dbraw/zinc/31/99/99/263319999.db2.gz ZKFWZNJVRWGJLG-AWEZNQCLSA-N 0 3 282.453 2.429 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C1(C#N)CCCC1 ZINC000341065386 263320569 /nfs/dbraw/zinc/32/05/69/263320569.db2.gz UVHZLPYYCUTICP-OKILXGFUSA-N 0 3 277.412 2.449 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCCC(F)(F)F)CC1 ZINC000341083264 263321031 /nfs/dbraw/zinc/32/10/31/263321031.db2.gz BJVPIVFZQFOIFV-UHFFFAOYSA-N 0 3 293.333 2.279 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000341069072 263321035 /nfs/dbraw/zinc/32/10/35/263321035.db2.gz NRLALHTXZCEZCB-RBSFLKMASA-N 0 3 282.428 2.347 20 30 CEEDHN C[C@H](C#N)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000125040103 263960410 /nfs/dbraw/zinc/96/04/10/263960410.db2.gz DNKZNYMBFLSLON-TZMCWYRMSA-N 0 3 289.354 2.066 20 30 CEEDHN CCCc1nc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)co1 ZINC000330838374 264051705 /nfs/dbraw/zinc/05/17/05/264051705.db2.gz YAOGFDHVAQIOSX-WDEREUQCSA-N 0 3 265.357 2.414 20 30 CEEDHN CC(C)[C@@H](C(=O)NCC(C)(C)C#N)N1CCCCC1 ZINC000330844250 264066640 /nfs/dbraw/zinc/06/66/40/264066640.db2.gz XKVQVESVQPKCPY-ZDUSSCGKSA-N 0 3 265.401 2.163 20 30 CEEDHN CC[C@H](C)n1ncc(NC(=O)N2CC[C@@H](N(C)C)C2)c1C ZINC000331137577 264135406 /nfs/dbraw/zinc/13/54/06/264135406.db2.gz QEVJZPZMFROKAS-WCQYABFASA-N 0 3 293.415 2.344 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)NC[C@@H](C)N(C)C ZINC000331175858 264154123 /nfs/dbraw/zinc/15/41/23/264154123.db2.gz FICCLOBEQMPRRY-SNVBAGLBSA-N 0 3 260.341 2.143 20 30 CEEDHN CCN1CCC(NC(=O)c2cc(O)ccc2OC)CC1 ZINC000331235766 264174224 /nfs/dbraw/zinc/17/42/24/264174224.db2.gz TUHUMRHKFJQISH-UHFFFAOYSA-N 0 3 278.352 2.190 20 30 CEEDHN C[C@@H](SCCN(C)C)C(=O)NC1(C#N)CCCCC1 ZINC000331326293 264190741 /nfs/dbraw/zinc/19/07/41/264190741.db2.gz OYWOLRJYGVOGGG-GFCCVEGCSA-N 0 3 283.441 2.012 20 30 CEEDHN Cc1cc(C)cc(C(=O)NC[C@@H]2CCCCN2CCO)c1 ZINC000331329432 264191433 /nfs/dbraw/zinc/19/14/33/264191433.db2.gz NZAPUJCWJMKQLL-INIZCTEOSA-N 0 3 290.407 2.455 20 30 CEEDHN C=CCN(C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000161374856 264277575 /nfs/dbraw/zinc/27/75/75/264277575.db2.gz GUZBUELHTMBIBT-HNNXBMFYSA-N 0 3 258.365 2.295 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CC(C)(C)OC1(C)C ZINC000132501150 264388674 /nfs/dbraw/zinc/38/86/74/264388674.db2.gz FTLIPBGUENVMFT-ZDUSSCGKSA-N 0 3 282.428 2.347 20 30 CEEDHN C=CCNC(=O)C[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000280251692 264449326 /nfs/dbraw/zinc/44/93/26/264449326.db2.gz WQBUYNVKQADVSA-CYBMUJFWSA-N 0 3 262.353 2.044 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CCC[C@@H]1SCC ZINC000286168920 264577277 /nfs/dbraw/zinc/57/72/77/264577277.db2.gz OLQPSVPPAFOHGD-KGLIPLIRSA-N 0 3 282.453 2.451 20 30 CEEDHN CC(C)(C#N)CCN1CCS[C@H]2COCC[C@@H]21 ZINC000119997496 264830105 /nfs/dbraw/zinc/83/01/05/264830105.db2.gz HHNLDYBGOMACBR-RYUDHWBXSA-N 0 3 254.399 2.133 20 30 CEEDHN CCc1ccc(C#CC(=O)NC[C@H]2CCN(C3CC3)C2)cc1 ZINC000292696669 264889577 /nfs/dbraw/zinc/88/95/77/264889577.db2.gz QNXDSLXIDAPJHA-QGZVFWFLSA-N 0 3 296.414 2.201 20 30 CEEDHN C#CCNC(=O)CCN1CC(C)(C)[C@H]1c1cccs1 ZINC000293544392 264955188 /nfs/dbraw/zinc/95/51/88/264955188.db2.gz KORDFRJGAWSSKV-CQSZACIVSA-N 0 3 276.405 2.271 20 30 CEEDHN CC#CCN(C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000294059346 265004901 /nfs/dbraw/zinc/00/49/01/265004901.db2.gz ATHVLTVQKDHZTD-INIZCTEOSA-N 0 3 270.376 2.133 20 30 CEEDHN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)C(C)C#N)c1 ZINC000345754056 265096946 /nfs/dbraw/zinc/09/69/46/265096946.db2.gz RHCSNBJITHRAFY-NWDGAFQWSA-N 0 3 287.363 2.447 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000345754355 265096954 /nfs/dbraw/zinc/09/69/54/265096954.db2.gz QYWVBVLXMJIEGB-OLZOCXBDSA-N 0 3 253.390 2.077 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCO[C@H]2CC)CC1 ZINC000345929822 265101993 /nfs/dbraw/zinc/10/19/93/265101993.db2.gz LNSIDIIBOIRXOS-HOTGVXAUSA-N 0 3 294.439 2.348 20 30 CEEDHN CC[C@H](C)CN(CC)Cc1cnc2c(C#N)cnn2c1 ZINC000518980699 265273674 /nfs/dbraw/zinc/27/36/74/265273674.db2.gz APTXZBKWSLAHEY-LBPRGKRZSA-N 0 3 271.368 2.469 20 30 CEEDHN CC[C@H](CC#N)NC[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000519768896 265600667 /nfs/dbraw/zinc/60/06/67/265600667.db2.gz YGPRGSBZNKSNQP-GDBMZVCRSA-N 0 3 285.391 2.431 20 30 CEEDHN COc1cccc(C2(CNC(=O)C(C)C#N)CC2)c1 ZINC000356886488 266205217 /nfs/dbraw/zinc/20/52/17/266205217.db2.gz SIKITDXTDXLGGF-NSHDSACASA-N 0 3 258.321 2.003 20 30 CEEDHN CC[C@H]1CC[C@@H](C)N1CC(=O)N(CC)CCC#N ZINC000357553943 266323076 /nfs/dbraw/zinc/32/30/76/266323076.db2.gz QIMMUMNEVVASSF-OLZOCXBDSA-N 0 3 251.374 2.011 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H]1C(C)C ZINC000357665013 266342439 /nfs/dbraw/zinc/34/24/39/266342439.db2.gz QYMOIOOOZAGYPN-KBPBESRZSA-N 0 3 265.401 2.115 20 30 CEEDHN Cc1nc(C2(NC(=O)C(C)C#N)CCCCCC2)no1 ZINC000357793954 266364644 /nfs/dbraw/zinc/36/46/44/266364644.db2.gz NHNSKWOATFIVQT-JTQLQIEISA-N 0 3 276.340 2.203 20 30 CEEDHN CCOc1ccc(CCNC(=O)C(C)C#N)cc1OCC ZINC000357799553 266365862 /nfs/dbraw/zinc/36/58/62/266365862.db2.gz MJYACEVHKCFQLO-LBPRGKRZSA-N 0 3 290.363 2.302 20 30 CEEDHN CC(C)OC(=O)C[C@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000357799651 266366355 /nfs/dbraw/zinc/36/63/55/266366355.db2.gz MUGAWSSJOXWJMH-OCCSQVGLSA-N 0 3 288.347 2.345 20 30 CEEDHN COc1ccc(OC)c(CN(C(=O)C(C)C#N)C2CC2)c1 ZINC000357800838 266366482 /nfs/dbraw/zinc/36/64/82/266366482.db2.gz NTILGKNZQYOZHE-NSHDSACASA-N 0 3 288.347 2.354 20 30 CEEDHN CCN(CCNC(=O)C(C)C#N)c1ccccc1C ZINC000357818318 266372216 /nfs/dbraw/zinc/37/22/16/266372216.db2.gz HLQNEYIFVJNJIL-CYBMUJFWSA-N 0 3 259.353 2.097 20 30 CEEDHN CC(C#N)C(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000357818153 266372223 /nfs/dbraw/zinc/37/22/23/266372223.db2.gz HDSVNZGJNGIEBZ-SECBINFHSA-N 0 3 268.263 2.406 20 30 CEEDHN COc1ccc(CN(C(=O)C(C)C#N)C2CC2)cc1 ZINC000357835452 266374264 /nfs/dbraw/zinc/37/42/64/266374264.db2.gz RRZICSAGLYEHLH-NSHDSACASA-N 0 3 258.321 2.346 20 30 CEEDHN C=CCOCC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000357885210 266382809 /nfs/dbraw/zinc/38/28/09/266382809.db2.gz ZNFQOSGPYYBNJK-RHSMWYFYSA-N 0 3 290.407 2.305 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C#N)c(OC)c1 ZINC000449547100 266829923 /nfs/dbraw/zinc/82/99/23/266829923.db2.gz GHXODJCIYIDNAE-CABCVRRESA-N 0 3 272.348 2.390 20 30 CEEDHN CCCCOCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471879313 267010936 /nfs/dbraw/zinc/01/09/36/267010936.db2.gz AQNKXMIXPZEFRY-MRXNPFEDSA-N 0 3 299.374 2.173 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000456831386 267018518 /nfs/dbraw/zinc/01/85/18/267018518.db2.gz GOLXYJZCDLAWBG-HNNXBMFYSA-N 0 3 289.354 2.188 20 30 CEEDHN CCOC(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000496098557 267125372 /nfs/dbraw/zinc/12/53/72/267125372.db2.gz DDDWJDOIWQRKMA-ZDUSSCGKSA-N 0 3 291.326 2.018 20 30 CEEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cn1 ZINC000519544998 267131560 /nfs/dbraw/zinc/13/15/60/267131560.db2.gz GGWYEUKYYNYKTD-CABCVRRESA-N 0 3 287.363 2.165 20 30 CEEDHN CCO[C@H]1CCN(Cc2cc(C#N)n(C)c2)C[C@@H]1C ZINC000449510939 267156114 /nfs/dbraw/zinc/15/61/14/267156114.db2.gz XUSWYJPLCZWQCH-WFASDCNBSA-N 0 3 261.369 2.144 20 30 CEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000290155357 267177007 /nfs/dbraw/zinc/17/70/07/267177007.db2.gz QEZCPNDXUJKOHL-CABZTGNLSA-N 0 3 295.264 2.308 20 30 CEEDHN CC[C@H](C)N[C@H](CNc1nccc(C#N)n1)c1ccco1 ZINC000450527962 267204809 /nfs/dbraw/zinc/20/48/09/267204809.db2.gz IYWUBTOSJHHBBX-WCQYABFASA-N 0 3 285.351 2.483 20 30 CEEDHN C#CC[C@H](C)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000369743437 267262944 /nfs/dbraw/zinc/26/29/44/267262944.db2.gz ZZBVYBKBQZKYTF-RDJZCZTQSA-N 0 3 299.418 2.362 20 30 CEEDHN C#CC[C@H](C)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000369747840 267263026 /nfs/dbraw/zinc/26/30/26/267263026.db2.gz FQSHTWRCNVWLHF-RDJZCZTQSA-N 0 3 299.418 2.362 20 30 CEEDHN CN1C[C@@H]2CCCN(c3nccc(C#N)c3Cl)[C@@H]2C1 ZINC000425287958 267343091 /nfs/dbraw/zinc/34/30/91/267343091.db2.gz SLQXAPNSUHNPCU-NWDGAFQWSA-N 0 3 276.771 2.137 20 30 CEEDHN C#CCCN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000371179730 267361337 /nfs/dbraw/zinc/36/13/37/267361337.db2.gz YMIKZHKWBCUQQA-UHFFFAOYSA-N 0 3 282.387 2.311 20 30 CEEDHN C#CCCN1CCC(C(=O)N(C)c2ccccc2)CC1 ZINC000371187580 267362462 /nfs/dbraw/zinc/36/24/62/267362462.db2.gz CWJFMOKWWJXJBS-UHFFFAOYSA-N 0 3 270.376 2.385 20 30 CEEDHN N#CC1(c2ccccn2)CCN(CCCCCO)CC1 ZINC000376738084 268011941 /nfs/dbraw/zinc/01/19/41/268011941.db2.gz RSGGIUYACQGTSK-UHFFFAOYSA-N 0 3 273.380 2.101 20 30 CEEDHN Cc1ccc(NC[C@H]2CCN2C2CCCC2)nc1C#N ZINC000528212833 268025884 /nfs/dbraw/zinc/02/58/84/268025884.db2.gz UJMQKDRDLUYQGM-CQSZACIVSA-N 0 3 270.380 2.112 20 30 CEEDHN C#CCOc1ccccc1CN1CCC[C@H](c2nnc[nH]2)C1 ZINC000377245750 268060013 /nfs/dbraw/zinc/06/00/13/268060013.db2.gz OMUZTEANWPRIQF-HNNXBMFYSA-N 0 3 296.374 2.196 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H](CCCO)C2)c(F)c1 ZINC000449790824 268222561 /nfs/dbraw/zinc/22/25/61/268222561.db2.gz MLIPPZMATHQSHS-GFCCVEGCSA-N 0 3 262.328 2.292 20 30 CEEDHN N#Cc1ccc([C@@H](NC[C@H]2CCC(F)(F)C2)C(N)=O)cc1 ZINC000429791299 268262729 /nfs/dbraw/zinc/26/27/29/268262729.db2.gz PFBSOAYTEMOHJS-WCQYABFASA-N 0 3 293.317 2.110 20 30 CEEDHN N#Cc1cccc(OCCCN2CC[C@@]23CCOC3)c1 ZINC000421021289 268284778 /nfs/dbraw/zinc/28/47/78/268284778.db2.gz OKVGYHCCYYQKDF-INIZCTEOSA-N 0 3 272.348 2.192 20 30 CEEDHN N#Cc1cccc(OCCCN2CC[C@]23CCOC3)c1 ZINC000421021290 268284834 /nfs/dbraw/zinc/28/48/34/268284834.db2.gz OKVGYHCCYYQKDF-MRXNPFEDSA-N 0 3 272.348 2.192 20 30 CEEDHN CCN1CCC(N(C)c2ncc3c(c2C#N)CCC3)CC1 ZINC000425203691 271138299 /nfs/dbraw/zinc/13/82/99/271138299.db2.gz FQFRDYGVFLXMOT-UHFFFAOYSA-N 0 3 284.407 2.362 20 30 CEEDHN N#Cc1ccc(N2CC[C@@H](N3CCCC3)C2)c(F)c1 ZINC000071138530 274924713 /nfs/dbraw/zinc/92/47/13/274924713.db2.gz NGPOADAQXWDZIU-CYBMUJFWSA-N 0 3 259.328 2.372 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000348535345 275431856 /nfs/dbraw/zinc/43/18/56/275431856.db2.gz XRFSOTKPYTWFOC-FOCJUVANSA-N 0 3 288.391 2.220 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000329837729 276006184 /nfs/dbraw/zinc/00/61/84/276006184.db2.gz ILTBOVKQFILNKW-TZMCWYRMSA-N 0 3 276.384 2.098 20 30 CEEDHN C#CCCN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000276945072 276777151 /nfs/dbraw/zinc/77/71/51/276777151.db2.gz CVUVPHNBUXTTFR-ZIAGYGMSSA-N 0 3 251.276 2.408 20 30 CEEDHN CC(C)(C#N)CCN1CCS[C@@H]2COCC[C@H]21 ZINC000336610593 277120869 /nfs/dbraw/zinc/12/08/69/277120869.db2.gz HHNLDYBGOMACBR-VXGBXAGGSA-N 0 3 254.399 2.133 20 30 CEEDHN CC(C)(C#N)CCN1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000345760374 277121120 /nfs/dbraw/zinc/12/11/20/277121120.db2.gz ULQZMCXLSOADGW-UKRRQHHQSA-N 0 3 289.423 2.402 20 30 CEEDHN CN1CC[C@]2(CCN(c3snc(Cl)c3C#N)C2)C1 ZINC000292198950 277186481 /nfs/dbraw/zinc/18/64/81/277186481.db2.gz GPLIGZYDLDYBCF-LBPRGKRZSA-N 0 3 282.800 2.200 20 30 CEEDHN CC(C)(C#N)CCN1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000345760369 278257731 /nfs/dbraw/zinc/25/77/31/278257731.db2.gz ULQZMCXLSOADGW-DZGCQCFKSA-N 0 3 289.423 2.402 20 30 CEEDHN C[C@H](N[C@@H]1CC(=O)N2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000376587923 278269942 /nfs/dbraw/zinc/26/99/42/278269942.db2.gz AHTFCLDBJDVBTN-APHBMKBZSA-N 0 3 283.375 2.362 20 30 CEEDHN C[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)N(C)C1CC1 ZINC000186534493 279326633 /nfs/dbraw/zinc/32/66/33/279326633.db2.gz PCFTZWXFIXCHQR-CYBMUJFWSA-N 0 3 297.402 2.189 20 30 CEEDHN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000333309851 279483427 /nfs/dbraw/zinc/48/34/27/279483427.db2.gz LMDNQCJWLLWKRJ-WFASDCNBSA-N 0 3 284.363 2.146 20 30 CEEDHN Cc1cc(C)n(CCCNCc2ccc(C#N)o2)n1 ZINC000135129191 280037926 /nfs/dbraw/zinc/03/79/26/280037926.db2.gz CWYIUFZCSVKCPM-UHFFFAOYSA-N 0 3 258.325 2.145 20 30 CEEDHN CCN(CC(C)C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000153763956 289121992 /nfs/dbraw/zinc/12/19/92/289121992.db2.gz WNTKLLUFZCJXOA-AWEZNQCLSA-N 0 3 259.353 2.063 20 30 CEEDHN CC(C)C[C@@H](C)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000155052811 289163304 /nfs/dbraw/zinc/16/33/04/289163304.db2.gz VWMYJDUYSSHOEP-RISCZKNCSA-N 0 3 259.353 2.109 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](C)C(C)(C)C1 ZINC000354024115 289251353 /nfs/dbraw/zinc/25/13/53/289251353.db2.gz KROSWQLXJSZVNZ-CHWSQXEVSA-N 0 3 265.401 2.115 20 30 CEEDHN COC[C@H](NCc1ccc(C#N)cc1OC)C(C)C ZINC000543456236 298310136 /nfs/dbraw/zinc/31/01/36/298310136.db2.gz CFDWGSBXVUYEEP-AWEZNQCLSA-N 0 3 262.353 2.327 20 30 CEEDHN N#Cc1cnn2cc(CNCCCc3ccccc3)cnc12 ZINC000549763033 298445378 /nfs/dbraw/zinc/44/53/78/298445378.db2.gz ANGATBCBCYDWJT-UHFFFAOYSA-N 0 3 291.358 2.323 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H]([C@H]3CCOC3)C2)nc1 ZINC000570341525 314034793 /nfs/dbraw/zinc/03/47/93/314034793.db2.gz ITOKNHLWOTWEKS-GJZGRUSLSA-N 0 3 271.364 2.202 20 30 CEEDHN CC1(C)CC[C@@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000576357882 314268464 /nfs/dbraw/zinc/26/84/64/314268464.db2.gz UWXNUFIBXXBHIT-ZDUSSCGKSA-N 0 3 257.337 2.275 20 30 CEEDHN C[C@@H]1C[C@@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)CO1 ZINC000577220520 314354079 /nfs/dbraw/zinc/35/40/79/314354079.db2.gz HSMPCSYYHMVLLJ-MLGOLLRUSA-N 0 3 296.374 2.226 20 30 CEEDHN CCc1nncn1CCN[C@H](CC)c1ccc(C#N)cc1 ZINC000577260122 314357485 /nfs/dbraw/zinc/35/74/85/314357485.db2.gz WASBKTLMFOTLEW-OAHLLOKOSA-N 0 3 283.379 2.453 20 30 CEEDHN N#C[C@H]1CCC[C@H](N[C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000185813731 327846190 /nfs/dbraw/zinc/84/61/90/327846190.db2.gz MJJSPDHRHDSSCV-DZKIICNBSA-N 0 3 283.375 2.464 20 30 CEEDHN C=CCOc1cccc(CN2CCNC[C@@H]2C(F)F)c1 ZINC000563134959 327928324 /nfs/dbraw/zinc/92/83/24/327928324.db2.gz ATWSEFFNCZVYJZ-CQSZACIVSA-N 0 3 282.334 2.290 20 30 CEEDHN C=CCOc1ccccc1C(=O)N[C@@H]1CCN(CC)C1 ZINC000412838509 328126823 /nfs/dbraw/zinc/12/68/23/328126823.db2.gz KYWBAVROYAOARD-CYBMUJFWSA-N 0 3 274.364 2.075 20 30 CEEDHN COC[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000264928242 328163117 /nfs/dbraw/zinc/16/31/17/328163117.db2.gz OXEYGNKHJAVMAK-OAHLLOKOSA-N 0 3 274.364 2.447 20 30 CEEDHN CN(CCC#N)c1ccc(CN[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000268814205 328186106 /nfs/dbraw/zinc/18/61/06/328186106.db2.gz VBIIHDPMLGVXHS-JKSUJKDBSA-N 0 3 285.391 2.063 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)C2CC2)CC1 ZINC000175316153 329164616 /nfs/dbraw/zinc/16/46/16/329164616.db2.gz FKMJMAHCDZBFIG-LBPRGKRZSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCOc1ccc(CN2CCN(C)C[C@@H]2C)cc1 ZINC000353585424 328293399 /nfs/dbraw/zinc/29/33/99/328293399.db2.gz SKMFFFTZMVBWRP-AWEZNQCLSA-N 0 3 260.381 2.387 20 30 CEEDHN CCc1ccc([C@H](C#N)NC(=O)[C@H](CC)N(C)C)cc1 ZINC000298492017 328296684 /nfs/dbraw/zinc/29/66/84/328296684.db2.gz GCWBBGXCEKTFGJ-GJZGRUSLSA-N 0 3 273.380 2.270 20 30 CEEDHN CC[C@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)N(C)C ZINC000298809898 328297620 /nfs/dbraw/zinc/29/76/20/328297620.db2.gz FVOWQSQDYDCGFS-CHWSQXEVSA-N 0 3 279.771 2.361 20 30 CEEDHN Cc1ccc(NC[C@H]2CCCCN2C2CC2)nc1C#N ZINC000580515139 322321966 /nfs/dbraw/zinc/32/19/66/322321966.db2.gz IEOYDNZSVLARRT-CQSZACIVSA-N 0 3 270.380 2.112 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ncc2c(c1C#N)CCC2 ZINC000580829647 322347289 /nfs/dbraw/zinc/34/72/89/322347289.db2.gz MSPFSCFBFQLDHK-BDJLRTHQSA-N 0 3 282.391 2.337 20 30 CEEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)N1CCCC[C@H]1C ZINC000185809698 329329464 /nfs/dbraw/zinc/32/94/64/329329464.db2.gz WKKBFNXIQOQSBL-APIJFGDWSA-N 0 3 277.412 2.448 20 30 CEEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H](CO)COC)cc1 ZINC000281285478 328498497 /nfs/dbraw/zinc/49/84/97/328498497.db2.gz XTTJOWXCOLAXFJ-JSGCOSHPSA-N 0 3 299.798 2.476 20 30 CEEDHN C#C[C@H](NC(=O)NCc1cccc(CN(C)C)c1)C(C)C ZINC000282280348 328508180 /nfs/dbraw/zinc/50/81/80/328508180.db2.gz QHVVDZAHUQNVOW-INIZCTEOSA-N 0 3 287.407 2.205 20 30 CEEDHN Cc1nc(NC[C@H]2N(C)CCCC2(C)C)ccc1C#N ZINC000584148681 327049787 /nfs/dbraw/zinc/04/97/87/327049787.db2.gz TYEQESLSQNKNLY-CQSZACIVSA-N 0 3 272.396 2.216 20 30 CEEDHN C[C@H]1CSC[C@H]1NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000560487988 327314171 /nfs/dbraw/zinc/31/41/71/327314171.db2.gz FHCKFOJPIBAQHI-QWHCGFSZSA-N 0 3 295.452 2.012 20 30 CEEDHN C=CCC[C@H](CO)NCc1cc(OC)c(OC)cc1F ZINC000583445326 327370830 /nfs/dbraw/zinc/37/08/30/327370830.db2.gz HRRVUBHVAYRHGX-GFCCVEGCSA-N 0 3 283.343 2.260 20 30 CEEDHN CC#CCCN1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000375175243 329001322 /nfs/dbraw/zinc/00/13/22/329001322.db2.gz JTHXSLKRVKDQQN-CQSZACIVSA-N 0 3 271.364 2.146 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CCC[C@H](Cc2ccccc2)C1 ZINC000377569898 329019352 /nfs/dbraw/zinc/01/93/52/329019352.db2.gz XGWZEDGZQPXNAR-DOTOQJQBSA-N 0 3 284.403 2.079 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H](C)[C@H](C)CC)CC1 ZINC000171724617 329079271 /nfs/dbraw/zinc/07/92/71/329079271.db2.gz BGNLXONMQUODAI-CHWSQXEVSA-N 0 3 267.417 2.371 20 30 CEEDHN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)CC(=O)NCC#N ZINC000175432534 329168256 /nfs/dbraw/zinc/16/82/56/329168256.db2.gz IMHAMTFKOWRABE-RYUDHWBXSA-N 0 3 293.798 2.404 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178061847 329192412 /nfs/dbraw/zinc/19/24/12/329192412.db2.gz VQUCKIXRUWIAOW-OAHLLOKOSA-N 0 3 270.376 2.152 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@@H]1CCCCN1CC ZINC000181079485 329225748 /nfs/dbraw/zinc/22/57/48/329225748.db2.gz YPIFXKNDGIQVFH-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CC[C@H](CO)NCc1cccc(OC(F)F)c1 ZINC000184273063 329258438 /nfs/dbraw/zinc/25/84/38/329258438.db2.gz CZHNKATYACRYSF-LLVKDONJSA-N 0 3 257.280 2.315 20 30 CEEDHN CC#CCCCC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000185896758 329334561 /nfs/dbraw/zinc/33/45/61/329334561.db2.gz BIIGKXDACNQXNY-HUUCEWRRSA-N 0 3 262.397 2.123 20 30 CEEDHN CC#CCN(C)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418363563 329351720 /nfs/dbraw/zinc/35/17/20/329351720.db2.gz WCORTMHMQHODQO-INIZCTEOSA-N 0 3 287.407 2.475 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@H](N3CCCC3)C2)CCC1 ZINC000191090140 329407174 /nfs/dbraw/zinc/40/71/74/329407174.db2.gz NZBFEEKLBHZIJA-AWEZNQCLSA-N 0 3 262.397 2.430 20 30 CEEDHN N#CC1(c2ccccc2)CC(NCCCN2CCCC2=O)C1 ZINC000125574154 329584630 /nfs/dbraw/zinc/58/46/30/329584630.db2.gz ZVQAHXVTZPIFJN-UHFFFAOYSA-N 0 3 297.402 2.212 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000572367062 330010933 /nfs/dbraw/zinc/01/09/33/330010933.db2.gz JDNRDVOFJJVHQU-GDBMZVCRSA-N 0 3 275.396 2.356 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000421927622 330109800 /nfs/dbraw/zinc/10/98/00/330109800.db2.gz SAPDQJXKFYTDON-WOPDTQHZSA-N 0 3 280.368 2.115 20 30 CEEDHN C=CCc1cc(CN[C@H]2C[C@H]2OCC)cc(OC)c1O ZINC000580419460 330128633 /nfs/dbraw/zinc/12/86/33/330128633.db2.gz GASVXAZFXYMQAQ-UONOGXRCSA-N 0 3 277.364 2.396 20 30 CEEDHN CN(C(=O)[C@H](N)CCCC#N)C1CCCCCC1 ZINC000424064627 330219044 /nfs/dbraw/zinc/21/90/44/330219044.db2.gz OXBYAAKWDTWSJX-CYBMUJFWSA-N 0 3 251.374 2.189 20 30 CEEDHN C=CCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424068267 330219593 /nfs/dbraw/zinc/21/95/93/330219593.db2.gz YGMOECMJUVPFJL-JKSUJKDBSA-N 0 3 285.391 2.088 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccccc1)C1CC1 ZINC000424068754 330219841 /nfs/dbraw/zinc/21/98/41/330219841.db2.gz NWZXGVKKFWGRRN-HNNXBMFYSA-N 0 3 271.364 2.199 20 30 CEEDHN Cc1ccccc1[C@@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424071257 330220016 /nfs/dbraw/zinc/22/00/16/330220016.db2.gz ZANWHDITNKZRDT-OCCSQVGLSA-N 0 3 259.353 2.193 20 30 CEEDHN COc1ccc([C@H](C)N(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000424077269 330221035 /nfs/dbraw/zinc/22/10/35/330221035.db2.gz BCPWRFFXSJXLFO-SWLSCSKDSA-N 0 3 289.379 2.236 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1cc(F)c(F)cc1F ZINC000424085913 330222971 /nfs/dbraw/zinc/22/29/71/330222971.db2.gz PMEQUBPRDVZWKU-SNVBAGLBSA-N 0 3 271.242 2.064 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000424096690 330227458 /nfs/dbraw/zinc/22/74/58/330227458.db2.gz CROWNFCKBKJSIK-UONOGXRCSA-N 0 3 291.782 2.465 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000424100752 330233107 /nfs/dbraw/zinc/23/31/07/330233107.db2.gz LGVIGMYVCYJJOZ-UONOGXRCSA-N 0 3 263.385 2.189 20 30 CEEDHN C[C@@H](CNC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1 ZINC000424101189 330233441 /nfs/dbraw/zinc/23/34/41/330233441.db2.gz JDWCVQIFTKEADM-FZMZJTMJSA-N 0 3 277.343 2.067 20 30 CEEDHN C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H](N)CCCC#N)C1 ZINC000424102480 330233669 /nfs/dbraw/zinc/23/36/69/330233669.db2.gz QTFPPSNZCKYJAP-AGIUHOORSA-N 0 3 251.374 2.045 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCc2ccc(Cl)cc21 ZINC000424114209 330242897 /nfs/dbraw/zinc/24/28/97/330242897.db2.gz QCOMRILVDAPIMF-LBPRGKRZSA-N 0 3 277.755 2.250 20 30 CEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)C(C)(C)c1ccccc1 ZINC000424115521 330243574 /nfs/dbraw/zinc/24/35/74/330243574.db2.gz VKPHTLOVAGVPAA-ZFWWWQNUSA-N 0 3 287.407 2.490 20 30 CEEDHN CCC[C@@]1(C)CCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424118228 330244037 /nfs/dbraw/zinc/24/40/37/330244037.db2.gz CZCHNTRSVIPJHB-ZFWWWQNUSA-N 0 3 265.401 2.436 20 30 CEEDHN Cc1cccc2c(CCNC(=O)[C@H](N)CCCC#N)c[nH]c21 ZINC000424118295 330244084 /nfs/dbraw/zinc/24/40/84/330244084.db2.gz BLURMTIVFKGKLO-OAHLLOKOSA-N 0 3 298.390 2.156 20 30 CEEDHN C[C@@H]1CCC[C@H](CCNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424121305 330249670 /nfs/dbraw/zinc/24/96/70/330249670.db2.gz FUKZRXIPKZNBIC-MCIONIFRSA-N 0 3 265.401 2.340 20 30 CEEDHN CC(C)C[C@@H]1CCCCN1C(=O)[C@@H](N)CCCC#N ZINC000424130634 330261481 /nfs/dbraw/zinc/26/14/81/330261481.db2.gz UBWCAKNXAMUWSW-KBPBESRZSA-N 0 3 265.401 2.435 20 30 CEEDHN CC[C@H](C)[C@H](C)N(C(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000424146740 330293341 /nfs/dbraw/zinc/29/33/41/330293341.db2.gz XDEOIZQNTYMILR-OBJOEFQTSA-N 0 3 265.401 2.433 20 30 CEEDHN Cc1ccc(C[C@@H](C)NC(=O)[C@@H](N)CCCC#N)c(C)c1 ZINC000424147921 330294633 /nfs/dbraw/zinc/29/46/33/330294633.db2.gz YVMFULRCOIHWOD-ZBFHGGJFSA-N 0 3 287.407 2.372 20 30 CEEDHN Cc1ccc(C[C@H](C)NC(=O)[C@H](N)CCCC#N)c(C)c1 ZINC000424147919 330294656 /nfs/dbraw/zinc/29/46/56/330294656.db2.gz YVMFULRCOIHWOD-GOEBONIOSA-N 0 3 287.407 2.372 20 30 CEEDHN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424148111 330294872 /nfs/dbraw/zinc/29/48/72/330294872.db2.gz DUEWCRLNARBKJI-FRRDWIJNSA-N 0 3 265.401 2.339 20 30 CEEDHN CCC[C@@H]1CCCCN1C(=O)[C@H](N)CCCC#N ZINC000424181955 330319762 /nfs/dbraw/zinc/31/97/62/330319762.db2.gz SHNWGRGVJWMZIK-CHWSQXEVSA-N 0 3 251.374 2.189 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000424208858 330328094 /nfs/dbraw/zinc/32/80/94/330328094.db2.gz SEICHMMFQBGAQT-BFHYXJOUSA-N 0 3 263.385 2.093 20 30 CEEDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@H]1CC[C@@H](C#N)C1 ZINC000442818805 330785349 /nfs/dbraw/zinc/78/53/49/330785349.db2.gz IZWZLIMDGZQZOU-NFAWXSAZSA-N 0 3 296.374 2.067 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@](C)(COC)C1 ZINC000451195733 331019973 /nfs/dbraw/zinc/01/99/73/331019973.db2.gz VBOVJNKYRRMYQQ-GDBMZVCRSA-N 0 3 282.428 2.158 20 30 CEEDHN OC[C@H]([C@@H](NCC#Cc1ccccc1)C1CC1)C1CC1 ZINC000451592470 331035441 /nfs/dbraw/zinc/03/54/41/331035441.db2.gz BWBQOACINJMSCC-ROUUACIJSA-N 0 3 269.388 2.425 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1OC ZINC000451681700 331038948 /nfs/dbraw/zinc/03/89/48/331038948.db2.gz MZMCYQPZXVDPPY-KGLIPLIRSA-N 0 3 292.335 2.427 20 30 CEEDHN C=CCNC(=O)CN1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000451886592 331046306 /nfs/dbraw/zinc/04/63/06/331046306.db2.gz DKVWKKGAPYVZBR-UHFFFAOYSA-N 0 3 295.471 2.121 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@]2(CCOC2)C1 ZINC000451898893 331046582 /nfs/dbraw/zinc/04/65/82/331046582.db2.gz JUEOYTKFFLMNDE-NVXWUHKLSA-N 0 3 292.423 2.078 20 30 CEEDHN CCN(CCC#N)C(=O)CN1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452045565 331052042 /nfs/dbraw/zinc/05/20/42/331052042.db2.gz LGHLBIQBXMXTHI-WBTNSWJXSA-N 0 3 289.423 2.117 20 30 CEEDHN C=CCN1CC[C@@H](N[C@H](C)c2cccc(C)c2)C1=O ZINC000452081045 331053306 /nfs/dbraw/zinc/05/33/06/331053306.db2.gz HUCPVJYLHBNZEV-UKRRQHHQSA-N 0 3 258.365 2.433 20 30 CEEDHN CC#CCN(C)C1CCN(CCC(F)(F)F)CC1 ZINC000452109175 331054535 /nfs/dbraw/zinc/05/45/35/331054535.db2.gz GZRGEUWSMDIBIG-UHFFFAOYSA-N 0 3 262.319 2.358 20 30 CEEDHN C=CCC1(C(=O)NC[C@H]2CCCCN2CCO)CCCC1 ZINC000452373745 331063441 /nfs/dbraw/zinc/06/34/41/331063441.db2.gz HTGCWYVIRRDVJO-OAHLLOKOSA-N 0 3 294.439 2.086 20 30 CEEDHN C[C@@H](C(=O)N[C@H]1CC[C@@H](CC#N)C1)N1[C@H](C)CC[C@@H]1C ZINC000452560539 331068992 /nfs/dbraw/zinc/06/89/92/331068992.db2.gz FAQLSJGEXQWQPM-AICCOOGYSA-N 0 3 277.412 2.446 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](F)C1 ZINC000452798660 331078286 /nfs/dbraw/zinc/07/82/86/331078286.db2.gz QZCYMVUKCSXVSB-ZIAGYGMSSA-N 0 3 260.312 2.329 20 30 CEEDHN C=C(C)COCCN[C@H]1COc2ccc(OC)cc2C1 ZINC000453137943 331093189 /nfs/dbraw/zinc/09/31/89/331093189.db2.gz DGPHYXQKJPCUMJ-CQSZACIVSA-N 0 3 277.364 2.181 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000453351031 331120755 /nfs/dbraw/zinc/12/07/55/331120755.db2.gz JALFIYUJMIKVHD-AGRPXIAWSA-N 0 3 279.405 2.418 20 30 CEEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)NCCc1ccccc1 ZINC000453421915 331130743 /nfs/dbraw/zinc/13/07/43/331130743.db2.gz ZNEPZBQQHWNDKN-HYVNUMGLSA-N 0 3 299.418 2.406 20 30 CEEDHN C=CCn1c(C2CC2)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453444483 331132163 /nfs/dbraw/zinc/13/21/63/331132163.db2.gz NDJSZAJTNZGXEJ-AWEZNQCLSA-N 0 3 289.427 2.260 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@](C)(CC)OC)CC1 ZINC000454464248 331146827 /nfs/dbraw/zinc/14/68/27/331146827.db2.gz MVVGPOUWRYDRBG-INIZCTEOSA-N 0 3 297.443 2.141 20 30 CEEDHN C=C(CC)CNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000454615689 331149870 /nfs/dbraw/zinc/14/98/70/331149870.db2.gz VNWUTMKPXLVSHN-CYBMUJFWSA-N 0 3 255.406 2.228 20 30 CEEDHN C=C(CC)CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000454622976 331149963 /nfs/dbraw/zinc/14/99/63/331149963.db2.gz RKDVZMSBRWZBIA-ZDUSSCGKSA-N 0 3 253.390 2.126 20 30 CEEDHN C=CCOc1ccc(C(=O)NC(C)(C)CN(C)C)cc1 ZINC000457208699 331216139 /nfs/dbraw/zinc/21/61/39/331216139.db2.gz NZRFDUQNWGHETK-UHFFFAOYSA-N 0 3 276.380 2.321 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)NCC(C)(C)N1CCCCC1 ZINC000457463635 331223757 /nfs/dbraw/zinc/22/37/57/331223757.db2.gz PWLKWCWARFDGOM-UHFFFAOYSA-N 0 3 294.443 2.442 20 30 CEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCC(C)(C)CC#N ZINC000457928472 331237884 /nfs/dbraw/zinc/23/78/84/331237884.db2.gz JGECFUJYWOXLRA-UONOGXRCSA-N 0 3 294.443 2.346 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458726016 331257945 /nfs/dbraw/zinc/25/79/45/331257945.db2.gz GOTNPIHGVNSBJU-ZIAGYGMSSA-N 0 3 267.417 2.465 20 30 CEEDHN C=CCC1(CNC(=O)N[C@@H](C)CN(C)C)CCCC1 ZINC000458761162 331259306 /nfs/dbraw/zinc/25/93/06/331259306.db2.gz OBCAAKQQDSVTSH-ZDUSSCGKSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000458811552 331260827 /nfs/dbraw/zinc/26/08/27/331260827.db2.gz OVYHZOXLDMHFSE-CQSZACIVSA-N 0 3 279.428 2.467 20 30 CEEDHN C=C(C)CCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458998493 331265435 /nfs/dbraw/zinc/26/54/35/331265435.db2.gz KQYQVIDEORQMMP-CYBMUJFWSA-N 0 3 265.401 2.078 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000490574274 332092742 /nfs/dbraw/zinc/09/27/42/332092742.db2.gz MVABBMADZLLNSB-ZFWWWQNUSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC000490679398 332103189 /nfs/dbraw/zinc/10/31/89/332103189.db2.gz RYKNWUVJDPLOSP-DJIMGWMZSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN(Cc1ccccc1)C(=O)NC1CCN(CC)CC1 ZINC000491147145 332156473 /nfs/dbraw/zinc/15/64/73/332156473.db2.gz QFYRSMDMRFOCRH-UHFFFAOYSA-N 0 3 299.418 2.316 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](CC)Cc1ccccc1 ZINC000491308086 332187197 /nfs/dbraw/zinc/18/71/97/332187197.db2.gz SLPOYAIRXUSMSK-KRWDZBQOSA-N 0 3 286.419 2.327 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C)C2CCCC2)CC1 ZINC000172099757 335094621 /nfs/dbraw/zinc/09/46/21/335094621.db2.gz SYAFUJWDTCEOFT-CYBMUJFWSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCC[C@@H]1CC ZINC000491507551 332225609 /nfs/dbraw/zinc/22/56/09/332225609.db2.gz VVXAYWADSMSPGA-LSDHHAIUSA-N 0 3 264.413 2.274 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1c(C)cccc1Cl ZINC000491516388 332227743 /nfs/dbraw/zinc/22/77/43/332227743.db2.gz SRLQABRYFDBFLR-UHFFFAOYSA-N 0 3 278.783 2.333 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@@H](SC)C(C)(C)C ZINC000491524489 332229609 /nfs/dbraw/zinc/22/96/09/332229609.db2.gz MCEPHGHNICIWMU-CYBMUJFWSA-N 0 3 299.484 2.018 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@]2(C)CCCC[C@H]2C)CC1 ZINC000491535834 332231682 /nfs/dbraw/zinc/23/16/82/332231682.db2.gz GAWCXUZWTZUIOM-RHSMWYFYSA-N 0 3 276.424 2.417 20 30 CEEDHN C[C@@H](C#N)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000335660086 335096083 /nfs/dbraw/zinc/09/60/83/335096083.db2.gz CUCMQUUZMJAPOP-GJZGRUSLSA-N 0 3 285.391 2.269 20 30 CEEDHN C#CCn1ccc(CN(CC)C[C@H]2CCO[C@H](C)C2)n1 ZINC000491669321 332276728 /nfs/dbraw/zinc/27/67/28/332276728.db2.gz ZWRMDEOGPHMKDN-CABCVRRESA-N 0 3 275.396 2.153 20 30 CEEDHN C#C[C@H](C)N(C)C[C@@H](O)COc1ccccc1CC=C ZINC000491748354 332325609 /nfs/dbraw/zinc/32/56/09/332325609.db2.gz DUOYJTPVVIHNGU-GOEBONIOSA-N 0 3 273.376 2.108 20 30 CEEDHN C#CCN1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000491772311 332338539 /nfs/dbraw/zinc/33/85/39/332338539.db2.gz QIHXDPRQKSEJAA-QWHCGFSZSA-N 0 3 266.385 2.102 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1cccc(C2CC2)c1 ZINC000491775328 332341143 /nfs/dbraw/zinc/34/11/43/332341143.db2.gz FAFLEIVVFHRHCK-UHFFFAOYSA-N 0 3 284.403 2.178 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C\c2cccc(O)c2)CC1 ZINC000493825445 332455513 /nfs/dbraw/zinc/45/55/13/332455513.db2.gz PYTDVRHEQKLTPB-SREVYHEPSA-N 0 3 286.375 2.172 20 30 CEEDHN N#CCCCN[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000496821713 332561327 /nfs/dbraw/zinc/56/13/27/332561327.db2.gz QFOSOCXCEPNXEP-HNNXBMFYSA-N 0 3 287.363 2.291 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](CC)CC(C)C ZINC000308010204 333023077 /nfs/dbraw/zinc/02/30/77/333023077.db2.gz FHMLINSSYSIOQP-CQSZACIVSA-N 0 3 252.402 2.130 20 30 CEEDHN C=CCN1CCC(NC(=O)c2[nH]c(C)cc2C)CC1 ZINC000177551697 333060324 /nfs/dbraw/zinc/06/03/24/333060324.db2.gz MWJXCZDDTCJSTD-UHFFFAOYSA-N 0 3 261.369 2.012 20 30 CEEDHN CC1(C)[C@H](O)C[C@@H]1NCC#Cc1ccccc1Cl ZINC000521267024 333116794 /nfs/dbraw/zinc/11/67/94/333116794.db2.gz KCIHYFVNXRIJOT-UONOGXRCSA-N 0 3 263.768 2.441 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N(C)CCCCc1ccccc1 ZINC000193439080 333250256 /nfs/dbraw/zinc/25/02/56/333250256.db2.gz CRGWWEZAWNOAQE-OAHLLOKOSA-N 0 3 272.392 2.079 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCCC[C@H]2C)CC1 ZINC000194409758 333270976 /nfs/dbraw/zinc/27/09/76/333270976.db2.gz USMSWZLVRCFAMF-ZBFHGGJFSA-N 0 3 276.424 2.274 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H](O)[C@@H](C)C2)cc1OC ZINC000250131080 333302777 /nfs/dbraw/zinc/30/27/77/333302777.db2.gz XCHSKSKYPVEPIG-DZGCQCFKSA-N 0 3 291.391 2.463 20 30 CEEDHN CCC(CC)N(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000523945290 333350010 /nfs/dbraw/zinc/35/00/10/333350010.db2.gz GVNMYTAGLWMZNM-INIZCTEOSA-N 0 3 277.412 2.448 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000529370339 333483700 /nfs/dbraw/zinc/48/37/00/333483700.db2.gz ZJBWYSKGDFHKKX-KGLIPLIRSA-N 0 3 277.412 2.402 20 30 CEEDHN C=CC[C@H](CO)NCc1cc2ccccc2nc1OC ZINC000546699268 334046786 /nfs/dbraw/zinc/04/67/86/334046786.db2.gz VOTLKNGGLWJIHZ-CQSZACIVSA-N 0 3 272.348 2.270 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](CC(C)C)C1 ZINC000245419614 334191626 /nfs/dbraw/zinc/19/16/26/334191626.db2.gz BATCFWYQIOQIRY-CABCVRRESA-N 0 3 279.428 2.363 20 30 CEEDHN CC(C)C[C@@H]1CCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000245495056 334197391 /nfs/dbraw/zinc/19/73/91/334197391.db2.gz ORPHNHDWFIOKQY-KGLIPLIRSA-N 0 3 265.401 2.115 20 30 CEEDHN C[C@@H]1C[C@H]1[C@@H](NCC(=O)NCC#N)c1ccc(Cl)cc1 ZINC000245834859 334220994 /nfs/dbraw/zinc/22/09/94/334220994.db2.gz CHZLYJNQGASIQN-YVLXSGLVSA-N 0 3 291.782 2.266 20 30 CEEDHN C[C@@H]1CCN(CC#Cc2cccc(Cl)c2)[C@H]1CO ZINC000248917456 334321771 /nfs/dbraw/zinc/32/17/71/334321771.db2.gz KBZCUCCBBIMQDU-DOMZBBRYSA-N 0 3 263.768 2.394 20 30 CEEDHN N#CC1(NC(=O)CN2C[C@H]3CCC[C@@H]3C2)CCCCC1 ZINC000152713653 334510139 /nfs/dbraw/zinc/51/01/39/334510139.db2.gz QKLCDVGJTLSUAT-ZIAGYGMSSA-N 0 3 275.396 2.061 20 30 CEEDHN CN1CCC(C(=O)Nc2ccccc2CC#N)CC1 ZINC000566459964 334650186 /nfs/dbraw/zinc/65/01/86/334650186.db2.gz NEBRZTCHQYKACC-UHFFFAOYSA-N 0 3 257.337 2.033 20 30 CEEDHN CC[C@@H](CC#N)NCC(C)CN[C@@H](CC)CC#N ZINC000580566956 335283349 /nfs/dbraw/zinc/28/33/49/335283349.db2.gz KTBVNURIUNZFRO-KBPBESRZSA-N 0 3 250.390 2.186 20 30 CEEDHN CCc1cccc(OC[C@H](O)CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000577098957 335299905 /nfs/dbraw/zinc/29/99/05/335299905.db2.gz QAGGZROHXVYEOE-ARFHVFGLSA-N 0 3 288.391 2.271 20 30 CEEDHN C[C@H]1CCC[C@@](C#N)(NC(=O)C2CCN(C3CC3)CC2)C1 ZINC000192785727 335304744 /nfs/dbraw/zinc/30/47/44/335304744.db2.gz STTITCZIJPHRBX-SUMWQHHRSA-N 0 3 289.423 2.449 20 30 CEEDHN N#CCC[C@H](C#N)CNCCC[C@H]1CCCC[C@@H]1O ZINC000577221773 335325329 /nfs/dbraw/zinc/32/53/29/335325329.db2.gz ZOOAFMHSMFZAGY-KFWWJZLASA-N 0 3 263.385 2.351 20 30 CEEDHN C=C(C)CCNCc1c(Br)cnn1C ZINC000386875739 336181492 /nfs/dbraw/zinc/18/14/92/336181492.db2.gz LIYUSVKBDMLMGD-UHFFFAOYSA-N 0 3 258.163 2.238 20 30 CEEDHN C#CCNC(=O)CCNCc1csc2ccccc12 ZINC000064615390 500571392 /nfs/dbraw/zinc/57/13/92/500571392.db2.gz MBDNPECOPXTESF-UHFFFAOYSA-N 0 3 272.373 2.130 20 30 CEEDHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1nccs1 ZINC000330271231 534009343 /nfs/dbraw/zinc/00/93/43/534009343.db2.gz VPHYOPIEVJSQFU-LSJOCFKGSA-N 0 3 281.381 2.277 20 30 CEEDHN C[C@@H]1CC[C@]2(CCN(CC(=O)NC3(C#N)CCC3)C2)C1 ZINC000335959296 534265581 /nfs/dbraw/zinc/26/55/81/534265581.db2.gz VFGROVMSEPGOQB-HIFRSBDPSA-N 0 3 275.396 2.061 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000347035145 534283453 /nfs/dbraw/zinc/28/34/53/534283453.db2.gz KJLICXCKFTWJLD-NEPJUHHUSA-N 0 3 285.347 2.150 20 30 CEEDHN C[C@@H]1CN(C(=O)CCCC#N)CCN(C2CCC2)C1 ZINC000344712912 534301735 /nfs/dbraw/zinc/30/17/35/534301735.db2.gz KYCDSCJLUMFLDJ-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000183032513 518893843 /nfs/dbraw/zinc/89/38/43/518893843.db2.gz DNHXMLZROVDVAD-ZBEGNZNMSA-N 0 3 276.355 2.341 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc(OC)ccc1OC ZINC000186695326 519107280 /nfs/dbraw/zinc/10/72/80/519107280.db2.gz UIARLWSLHPFCGB-RYUDHWBXSA-N 0 3 265.353 2.291 20 30 CEEDHN CCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C(C)C ZINC000067653779 520350939 /nfs/dbraw/zinc/35/09/39/520350939.db2.gz OKNPHIZTLWBXGS-DZGCQCFKSA-N 0 3 267.417 2.407 20 30 CEEDHN CNC(=O)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186637423 524049807 /nfs/dbraw/zinc/04/98/07/524049807.db2.gz ANCOZJHYPFEUFA-LBPRGKRZSA-N 0 3 271.364 2.077 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(F)c(C#N)c2)CCN1C ZINC000278734684 525244311 /nfs/dbraw/zinc/24/43/11/525244311.db2.gz DHVSVCMFSKCGLW-RISCZKNCSA-N 0 3 289.354 2.252 20 30 CEEDHN C=CCN1CCC(n2ncc(C(=O)OCC)c2C)CC1 ZINC000367158008 526455275 /nfs/dbraw/zinc/45/52/75/526455275.db2.gz QOGAELZVGPBFKY-UHFFFAOYSA-N 0 3 277.368 2.191 20 30 CEEDHN C=CCN1CC[C@H](N[C@@H]2C[C@@H](OCCCC)C2(C)C)C1=O ZINC000352828612 526514137 /nfs/dbraw/zinc/51/41/37/526514137.db2.gz OSZFUOKSHFXNPU-RRFJBIMHSA-N 0 3 294.439 2.347 20 30 CEEDHN C=CCN1CC[C@H](N[C@H]2C[C@H](OCC)C23CCCC3)C1=O ZINC000352810941 526515851 /nfs/dbraw/zinc/51/58/51/526515851.db2.gz QJDXVOKISZZVEH-KKUMJFAQSA-N 0 3 292.423 2.101 20 30 CEEDHN C=CCCCCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000353352148 527148635 /nfs/dbraw/zinc/14/86/35/527148635.db2.gz NMSFQOMNNXYGGJ-HNNXBMFYSA-N 0 3 297.443 2.095 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000354657106 527151488 /nfs/dbraw/zinc/15/14/88/527151488.db2.gz QXBHWGBZBTZMNC-CABCVRRESA-N 0 3 297.443 2.141 20 30 CEEDHN C=CCCCN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352669974 527198864 /nfs/dbraw/zinc/19/88/64/527198864.db2.gz CPTMDHWWDZKUBX-MNOVXSKESA-N 0 3 251.292 2.445 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000417980151 527288142 /nfs/dbraw/zinc/28/81/42/527288142.db2.gz JYKFWUNUBRNKDF-XQQFMLRXSA-N 0 3 253.390 2.123 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344618690 527380363 /nfs/dbraw/zinc/38/03/63/527380363.db2.gz PPCVHVITKFIHML-KBPBESRZSA-N 0 3 282.428 2.204 20 30 CEEDHN CC(C)(C#N)CCCN1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000366880258 527462725 /nfs/dbraw/zinc/46/27/25/527462725.db2.gz KYKCWXKVGQZABX-CYBMUJFWSA-N 0 3 287.411 2.399 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCO[C@H]1C)C(C)C ZINC000356024152 527649542 /nfs/dbraw/zinc/64/95/42/527649542.db2.gz XTEBAPXYOFRAHG-HRCADAONSA-N 0 3 294.439 2.226 20 30 CEEDHN CCCN(C(=O)C(C)C#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000353775607 527771775 /nfs/dbraw/zinc/77/17/75/527771775.db2.gz FLHBWEROAMSXDO-STQMWFEESA-N 0 3 287.363 2.412 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)NCCCC#N ZINC000355044789 528080394 /nfs/dbraw/zinc/08/03/94/528080394.db2.gz BPPBKTFBUFXDQQ-UHFFFAOYSA-N 0 3 280.416 2.198 20 30 CEEDHN CC(C)N(CCN(C)C)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357456983 528899810 /nfs/dbraw/zinc/89/98/10/528899810.db2.gz UBJDBWAQPFWCNQ-UHFFFAOYSA-N 0 3 276.340 2.243 20 30 CEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(C)C#N ZINC000344936535 528939529 /nfs/dbraw/zinc/93/95/29/528939529.db2.gz RMUBIQNMBLPXTM-LBPRGKRZSA-N 0 3 255.321 2.455 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(C#N)cc1C ZINC000122247865 529013382 /nfs/dbraw/zinc/01/33/82/529013382.db2.gz XBWKRMKDPGLYTF-HNNXBMFYSA-N 0 3 285.391 2.471 20 30 CEEDHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000333175466 529066224 /nfs/dbraw/zinc/06/62/24/529066224.db2.gz KJXZJOIJLLRSIF-SOUVJXGZSA-N 0 3 292.427 2.194 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H](C)N2CCCC[C@H]2C)nc1 ZINC000728813141 574470845 /nfs/dbraw/zinc/47/08/45/574470845.db2.gz IOOWBACOVBFLGA-KGLIPLIRSA-N 0 3 285.391 2.056 20 30 CEEDHN CN1CCC(NC(=S)N(CCC#N)CC(C)(C)C)CC1 ZINC000729645526 574490261 /nfs/dbraw/zinc/49/02/61/574490261.db2.gz GZZYMVFXYLEPAC-UHFFFAOYSA-N 0 3 296.484 2.217 20 30 CEEDHN Cc1ccc(N=NCc2ccc(OCCN(C)C)cc2)nn1 ZINC000729935889 574496536 /nfs/dbraw/zinc/49/65/36/574496536.db2.gz VBLWNOLCZUEHCA-UHFFFAOYSA-N 0 3 299.378 2.171 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ncccc2C)CC1 ZINC000730110227 574501968 /nfs/dbraw/zinc/50/19/68/574501968.db2.gz QWHWYQXTQOGUIW-UHFFFAOYSA-N 0 3 274.368 2.162 20 30 CEEDHN CN(C)CCOc1ccc(C=NOCC(F)F)cc1 ZINC000758900597 574515576 /nfs/dbraw/zinc/51/55/76/574515576.db2.gz XYIWFKRCFAUUCG-UHFFFAOYSA-N 0 3 272.295 2.243 20 30 CEEDHN C#CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000754041745 574521377 /nfs/dbraw/zinc/52/13/77/574521377.db2.gz KXEHLKRUQQJWDX-GDBMZVCRSA-N 0 3 270.376 2.131 20 30 CEEDHN C=C(CN(C)C)C(=O)N(CCc1cccc(F)c1)C1CC1 ZINC000764520693 574598476 /nfs/dbraw/zinc/59/84/76/574598476.db2.gz BAZJUZXWCUKFGM-UHFFFAOYSA-N 0 3 290.382 2.477 20 30 CEEDHN Cc1cc(C(C#N)C(=O)C=CC2CCOCC2)nc(C)n1 ZINC000732709213 574626749 /nfs/dbraw/zinc/62/67/49/574626749.db2.gz ZJEAEIVHNNSUSK-RDFMZFSFSA-N 0 3 285.347 2.253 20 30 CEEDHN CCCCN(C)CCNC(=O)/C=C\c1ccccc1C#N ZINC000732772343 574629657 /nfs/dbraw/zinc/62/96/57/574629657.db2.gz XUKHCXIBCTXHHL-KTKRTIGZSA-N 0 3 285.391 2.420 20 30 CEEDHN CC(C)[C@H](CN(C)C)NC(=O)c1cccc(CC#N)c1 ZINC000733163134 574646963 /nfs/dbraw/zinc/64/69/63/574646963.db2.gz BYEVFGCZDNFKSF-HNNXBMFYSA-N 0 3 273.380 2.069 20 30 CEEDHN C#CCOCCN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000753769980 575340774 /nfs/dbraw/zinc/34/07/74/575340774.db2.gz SIYKZIOAVNTBLB-NSHDSACASA-N 0 3 251.301 2.135 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@@H](C)C(C)(C)C)CC1 ZINC000734337272 574708782 /nfs/dbraw/zinc/70/87/82/574708782.db2.gz SSOXQXBEXRRXBF-CYBMUJFWSA-N 0 3 264.413 2.130 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000736674724 574794299 /nfs/dbraw/zinc/79/42/99/574794299.db2.gz ZXPQMEOYWCBPNZ-AWEZNQCLSA-N 0 3 285.391 2.495 20 30 CEEDHN CCCCCCNC(=O)[C@H]1CCCN(C(=O)C(C)C#N)C1 ZINC000736673004 574794309 /nfs/dbraw/zinc/79/43/09/574794309.db2.gz SLNFJCCLJPQUPJ-KBPBESRZSA-N 0 3 293.411 2.081 20 30 CEEDHN C#CCSCC[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000740014956 574938986 /nfs/dbraw/zinc/93/89/86/574938986.db2.gz QDWRYVWWNQVJHR-UHFFFAOYSA-N 0 3 265.378 2.247 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2cc(F)cc(F)c2)CC1 ZINC000740735618 574967080 /nfs/dbraw/zinc/96/70/80/574967080.db2.gz JKCJBSCTINRASZ-UHFFFAOYSA-N 0 3 292.329 2.182 20 30 CEEDHN CCCCCNC(=S)NN=C1CCN(CC)C[C@H]1C ZINC000741454659 574987610 /nfs/dbraw/zinc/98/76/10/574987610.db2.gz HDHXNYYIZGQXTA-GFCCVEGCSA-N 0 3 284.473 2.358 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)/C=C\c2ccccc2C#N)CCN1C ZINC000741722222 574995561 /nfs/dbraw/zinc/99/55/61/574995561.db2.gz DUHNTAVMCMQRSX-RDIZVCBXSA-N 0 3 283.375 2.170 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@](C)(CCC)C1 ZINC000743871956 575111811 /nfs/dbraw/zinc/11/18/11/575111811.db2.gz DECMLMJXUOZMDI-HIFRSBDPSA-N 0 3 250.386 2.027 20 30 CEEDHN N#CC(C(=O)C=C1CCCC1)C(=O)Nc1ccccn1 ZINC000747021331 575166302 /nfs/dbraw/zinc/16/63/02/575166302.db2.gz OMRWARBMJMUMBX-LBPRGKRZSA-N 0 3 269.304 2.229 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CCC12CCN(C)CC2 ZINC000749240676 575210651 /nfs/dbraw/zinc/21/06/51/575210651.db2.gz JMBWOEDZTHVKFK-UHFFFAOYSA-N 0 3 283.375 2.177 20 30 CEEDHN C#C[C@@H](CC)NC(=O)NCCCN(C)Cc1ccccc1 ZINC000753027123 575317960 /nfs/dbraw/zinc/31/79/60/575317960.db2.gz RYUIOKYKBOWEKR-INIZCTEOSA-N 0 3 287.407 2.220 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC000974909119 613037047 /nfs/dbraw/zinc/03/70/47/613037047.db2.gz GAJUCBFKKIBAQL-ZDUSSCGKSA-N 0 3 262.397 2.027 20 30 CEEDHN C=C[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823882882 609148899 /nfs/dbraw/zinc/14/88/99/609148899.db2.gz FGUPELULSRAMBZ-RKDXNWHRSA-N 0 3 261.304 2.231 20 30 CEEDHN C=C[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823882882 609148900 /nfs/dbraw/zinc/14/89/00/609148900.db2.gz FGUPELULSRAMBZ-RKDXNWHRSA-N 0 3 261.304 2.231 20 30 CEEDHN C#CCCCC[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823840776 609343599 /nfs/dbraw/zinc/34/35/99/609343599.db2.gz FSZJQODUZUAFQJ-NSHDSACASA-N 0 3 287.342 2.460 20 30 CEEDHN C#CCCCC[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823840776 609343602 /nfs/dbraw/zinc/34/36/02/609343602.db2.gz FSZJQODUZUAFQJ-NSHDSACASA-N 0 3 287.342 2.460 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@@H](C)C2CCCCC2)C1 ZINC000970249854 612961033 /nfs/dbraw/zinc/96/10/33/612961033.db2.gz XCKHNBCYLAQDNJ-GDBMZVCRSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)Cc2ccc(CCCC)cc2)C1 ZINC000969224568 612961695 /nfs/dbraw/zinc/96/16/95/612961695.db2.gz DTGGVWPBONBWNJ-GOSISDBHSA-N 0 3 298.430 2.395 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2c(C)c(F)ccc2Cl)C1 ZINC000969137776 612963981 /nfs/dbraw/zinc/96/39/81/612963981.db2.gz DLFNDMLMYTYLNP-LLVKDONJSA-N 0 3 294.757 2.225 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc(C)ccc2C2CC2)C1 ZINC000969451520 612964741 /nfs/dbraw/zinc/96/47/41/612964741.db2.gz QVMZLKDPRWLRFN-OAHLLOKOSA-N 0 3 282.387 2.310 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccccc2CC(C)C)C1 ZINC000970835402 612966386 /nfs/dbraw/zinc/96/63/86/612966386.db2.gz QNJFGYPRDNBFGG-MRXNPFEDSA-N 0 3 284.403 2.322 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccccc2C2(C)CC2)C1 ZINC000969921696 612966563 /nfs/dbraw/zinc/96/65/63/612966563.db2.gz WGFFHCZANJWTJA-CQSZACIVSA-N 0 3 282.387 2.175 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)C2CCC(=C)CC2)C1 ZINC000970376359 612996436 /nfs/dbraw/zinc/99/64/36/612996436.db2.gz KIFVTMDULMJQEV-AWEZNQCLSA-N 0 3 274.408 2.193 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc[nH]c2CCC)C1 ZINC000970310902 612997406 /nfs/dbraw/zinc/99/74/06/612997406.db2.gz RSNZHHZCCCSHJK-ZDUSSCGKSA-N 0 3 287.407 2.041 20 30 CEEDHN C#CCCN1CCCN(C(=O)CCc2ccsc2)CC1 ZINC000981337308 613002667 /nfs/dbraw/zinc/00/26/67/613002667.db2.gz LTCRQXFCCPYYGS-UHFFFAOYSA-N 0 3 290.432 2.238 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC000966632403 613015744 /nfs/dbraw/zinc/01/57/44/613015744.db2.gz KPIRVLCHYKDMQE-CZUORRHYSA-N 0 3 299.418 2.356 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccsc2)C(C)(C)C1 ZINC000972775910 613031464 /nfs/dbraw/zinc/03/14/64/613031464.db2.gz IFEMUBKEAZADIL-CQSZACIVSA-N 0 3 290.432 2.141 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)[C@@H](C)c2ccco2)C(C)(C)C1 ZINC000975033478 613032075 /nfs/dbraw/zinc/03/20/75/613032075.db2.gz DOFJASZHEFXTPB-DZGCQCFKSA-N 0 3 288.391 2.233 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2[nH]ccc2C2CC2)C(C)(C)C1 ZINC000974654768 613032618 /nfs/dbraw/zinc/03/26/18/613032618.db2.gz VIJBMWNANVWVMP-OAHLLOKOSA-N 0 3 299.418 2.356 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccoc2CC)C(C)(C)C1 ZINC000974528563 613032813 /nfs/dbraw/zinc/03/28/13/613032813.db2.gz DMIGFBBLLOPDRI-OAHLLOKOSA-N 0 3 288.391 2.306 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C(C)=C2CCC2)C(C)(C)C1 ZINC000974590150 613036953 /nfs/dbraw/zinc/03/69/53/613036953.db2.gz TWNCIACCUXHDNA-HNNXBMFYSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2ccoc2C)C(C)(C)C1 ZINC000972792742 613038818 /nfs/dbraw/zinc/03/88/18/613038818.db2.gz AMINWMJWUQFPJJ-AWEZNQCLSA-N 0 3 274.364 2.052 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2c(C)cncc2C)CC1 ZINC000948612055 613162482 /nfs/dbraw/zinc/16/24/82/613162482.db2.gz KGKCGHPNERKMFR-MRXNPFEDSA-N 0 3 299.418 2.258 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H]2CN(CC)CC[C@@H]2C)cc1 ZINC000967700919 613191405 /nfs/dbraw/zinc/19/14/05/613191405.db2.gz LLIMXTOQHTZFEH-BBRMVZONSA-N 0 3 270.376 2.128 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C(C2CC2)C2CC2)C[C@H]1C ZINC000947913093 613223039 /nfs/dbraw/zinc/22/30/39/613223039.db2.gz VMFKFYAUWDFKDG-IUODEOHRSA-N 0 3 274.408 2.025 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccsc2C)C[C@@H]1C ZINC000947783422 613227303 /nfs/dbraw/zinc/22/73/03/613227303.db2.gz OMCLOCJTVAJFHA-SWLSCSKDSA-N 0 3 290.432 2.201 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)ccc2C)[C@H](C)C1 ZINC000944316325 613232296 /nfs/dbraw/zinc/23/22/96/613232296.db2.gz FHJLZUJCBUWREZ-NVXWUHKLSA-N 0 3 284.403 2.377 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccsc2C)[C@@H](C)C1 ZINC000942009572 613239849 /nfs/dbraw/zinc/23/98/49/613239849.db2.gz OQNFLWXUYCETBD-SMDDNHRTSA-N 0 3 276.405 2.130 20 30 CEEDHN C=C(C)CCN1CCCN(C(=O)C(C)(F)F)CC1 ZINC000980609482 613251132 /nfs/dbraw/zinc/25/11/32/613251132.db2.gz PXXHFKFPOKHSOC-UHFFFAOYSA-N 0 3 260.328 2.142 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C(F)=C2CCCC2)C[C@@H]1C ZINC000947194477 613256715 /nfs/dbraw/zinc/25/67/15/613256715.db2.gz CIGZFFMUHSGYIY-JSGCOSHPSA-N 0 3 278.371 2.386 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2CCCCC2)[C@@H](C)C1 ZINC000941755752 613257911 /nfs/dbraw/zinc/25/79/11/613257911.db2.gz MPHRXJARNDYTOY-ZFWWWQNUSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)CC2=CCCCC2)[C@H](C)C1 ZINC000941896434 613258316 /nfs/dbraw/zinc/25/83/16/613258316.db2.gz UECDINWFGOBETK-ZBFHGGJFSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)Cc2cccc(CC)c2)C[C@@H]1C ZINC000947460497 613260453 /nfs/dbraw/zinc/26/04/53/613260453.db2.gz URAZIPGZRQGYRX-YJBOKZPZSA-N 0 3 298.430 2.394 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2[nH]ccc2C2CC2)C[C@@H]1C ZINC000947378239 613263650 /nfs/dbraw/zinc/26/36/50/613263650.db2.gz LRSDFCUOFXYVIJ-JSGCOSHPSA-N 0 3 285.391 2.108 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C)cc2C)[C@H](C)C1 ZINC000944622019 613268491 /nfs/dbraw/zinc/26/84/91/613268491.db2.gz YAFLQDLOHMXTBA-WBVHZDCISA-N 0 3 284.403 2.377 20 30 CEEDHN C=C(C)CCN1CC[C@H](C)[C@H](NC(=O)c2cnco2)C1 ZINC000967595708 613269697 /nfs/dbraw/zinc/26/96/97/613269697.db2.gz PWDUUVRSANGPQQ-QWHCGFSZSA-N 0 3 277.368 2.081 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccn3c2CCCC3)C[C@H]1C ZINC000947404490 613271984 /nfs/dbraw/zinc/27/19/84/613271984.db2.gz PGLBENIGZYMMQZ-CABCVRRESA-N 0 3 299.418 2.040 20 30 CEEDHN C#CCN1C[C@]2(C)CN(C(=O)CC(C)(C)C)C[C@]2(C)C1 ZINC000982209579 613292712 /nfs/dbraw/zinc/29/27/12/613292712.db2.gz RXBZIKBUPFASNS-CALCHBBNSA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCN1C[C@]2(C)CN(C(=O)C3(C(C)C)CC3)C[C@]2(C)C1 ZINC000982536111 613292889 /nfs/dbraw/zinc/29/28/89/613292889.db2.gz YBKDQPOFNTXPDG-CALCHBBNSA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCN1C[C@]2(C)CN(C(=O)C(F)=C(C)C)C[C@]2(C)C1 ZINC000982254121 613292987 /nfs/dbraw/zinc/29/29/87/613292987.db2.gz ZKFSNTBLIQATNQ-IYBDPMFKSA-N 0 3 278.371 2.053 20 30 CEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC000982618206 613293123 /nfs/dbraw/zinc/29/31/23/613293123.db2.gz SFMHNJXMFOCQPB-UOVPBQLFSA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCN1C[C@]2(C)CN(C(=O)c3cccc(C)c3)C[C@]2(C)C1 ZINC000982198539 613293846 /nfs/dbraw/zinc/29/38/46/613293846.db2.gz FPIWRUUMCDRZLN-KDURUIRLSA-N 0 3 296.414 2.412 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)n(C)c2C)C1 ZINC000970852976 613299961 /nfs/dbraw/zinc/29/99/61/613299961.db2.gz BOKHFOSPEGRACV-CYBMUJFWSA-N 0 3 289.423 2.268 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc3occc3[nH]2)C1 ZINC000969780076 613300032 /nfs/dbraw/zinc/30/00/32/613300032.db2.gz 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BHLZJTRSGFNLFW-AWEZNQCLSA-N 0 3 277.364 2.124 20 30 CEEDHN COC(=O)[C@@H]1CCN(CCC(C)(C)C#N)[C@H](C)C1 ZINC000933170158 623525248 /nfs/dbraw/zinc/52/52/48/623525248.db2.gz OFEYBGHAZCOSMO-VXGBXAGGSA-N 0 3 252.358 2.200 20 30 CEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)C2CC=CC2)C1 ZINC001021919433 623583643 /nfs/dbraw/zinc/58/36/43/623583643.db2.gz YJXNISNUIYVTEX-TXEJJXNPSA-N 0 3 299.212 2.098 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)C2(C)CC2)C1 ZINC000971581913 623686168 /nfs/dbraw/zinc/68/61/68/623686168.db2.gz HJYJNQULUHAALD-INIZCTEOSA-N 0 3 297.402 2.391 20 30 CEEDHN Cc1cc(C#N)nc(N2CCN(CC(C)C)CC2)c1 ZINC000891502363 623749138 /nfs/dbraw/zinc/74/91/38/623749138.db2.gz IAXSABKEDVOIHG-UHFFFAOYSA-N 0 3 258.369 2.040 20 30 CEEDHN C=CCCCCNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000891808970 623986249 /nfs/dbraw/zinc/98/62/49/623986249.db2.gz KFTANQRLVPBJGX-INIZCTEOSA-N 0 3 287.407 2.356 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000891874161 624053256 /nfs/dbraw/zinc/05/32/56/624053256.db2.gz LUDPMEUYNRMTHC-CVEARBPZSA-N 0 3 287.407 2.355 20 30 CEEDHN COc1cc([C@@H](C)NCCc2ccc(C#N)cc2)on1 ZINC000926680808 625707992 /nfs/dbraw/zinc/70/79/92/625707992.db2.gz RUMBNDXYXFNZEQ-LLVKDONJSA-N 0 3 271.320 2.448 20 30 CEEDHN C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000972090269 624395065 /nfs/dbraw/zinc/39/50/65/624395065.db2.gz JIGCNMTUGBSYBN-KBRIMQKVSA-N 0 3 297.402 2.247 20 30 CEEDHN N#Cc1cccc(NC(=O)CN[C@@H]2CCOC23CCCC3)c1 ZINC000934392401 624465801 /nfs/dbraw/zinc/46/58/01/624465801.db2.gz PCNBAMPSZREHSN-OAHLLOKOSA-N 0 3 299.374 2.188 20 30 CEEDHN Fc1ccc(C#CCN[C@@H]2CCOC23CCOCC3)cc1 ZINC000934401055 624481381 /nfs/dbraw/zinc/48/13/81/624481381.db2.gz VLDBMWQGXXSFGZ-MRXNPFEDSA-N 0 3 289.350 2.105 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)c2cccnc2)C1 ZINC001022987491 624827092 /nfs/dbraw/zinc/82/70/92/624827092.db2.gz KLNAHYXNRHPTAS-FPMFFAJLSA-N 0 3 293.798 2.174 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000892351572 624978357 /nfs/dbraw/zinc/97/83/57/624978357.db2.gz MRFNYZJTQUNZSA-QWHCGFSZSA-N 0 3 267.417 2.371 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(Cl)[nH]2)C1 ZINC001023577521 625048091 /nfs/dbraw/zinc/04/80/91/625048091.db2.gz VVJCQWKKCWOBTQ-GFCCVEGCSA-N 0 3 293.798 2.133 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001023582995 625051705 /nfs/dbraw/zinc/05/17/05/625051705.db2.gz VMKILZDBHRMJEB-ARFHVFGLSA-N 0 3 276.424 2.274 20 30 CEEDHN C=CCN1CCC[C@H](CNC(=O)c2cc(CCC)on2)C1 ZINC001023679761 625119258 /nfs/dbraw/zinc/11/92/58/625119258.db2.gz IAHNMUFVMYNDPO-CYBMUJFWSA-N 0 3 291.395 2.255 20 30 CEEDHN C=CCN1CCC[C@@H](CNC(=O)c2coc(CCC)n2)C1 ZINC001023700741 625126216 /nfs/dbraw/zinc/12/62/16/625126216.db2.gz ZNARVCNLGUPDDL-ZDUSSCGKSA-N 0 3 291.395 2.255 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC001023738647 625166294 /nfs/dbraw/zinc/16/62/94/625166294.db2.gz GMMSUAGYWAAWNY-CQSZACIVSA-N 0 3 295.386 2.243 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc3c(c2)CCC3)C1 ZINC001023739739 625168750 /nfs/dbraw/zinc/16/87/50/625168750.db2.gz UEIDVULGVHCPQF-HNNXBMFYSA-N 0 3 296.414 2.250 20 30 CEEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1cnoc1CC ZINC001024687770 625756977 /nfs/dbraw/zinc/75/69/77/625756977.db2.gz VRGYGJWOHCNFPX-ZDUSSCGKSA-N 0 3 291.395 2.397 20 30 CEEDHN N#CC1(CN[C@H]2CCOC23CCOCC3)CCCCC1 ZINC000926711700 625799490 /nfs/dbraw/zinc/79/94/90/625799490.db2.gz IJCJWMGHVLJJHT-AWEZNQCLSA-N 0 3 278.396 2.388 20 30 CEEDHN CC(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)c(F)c1 ZINC001024833284 625852727 /nfs/dbraw/zinc/85/27/27/625852727.db2.gz DSDBNKGYQDRTHM-OAHLLOKOSA-N 0 3 289.354 2.188 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)c1ccccc1C ZINC000820688253 634504566 /nfs/dbraw/zinc/50/45/66/634504566.db2.gz NWWFVQNNAFSUCZ-HNNXBMFYSA-N 0 3 272.392 2.170 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000892604126 627303896 /nfs/dbraw/zinc/30/38/96/627303896.db2.gz ZMWOABYRTSLHIY-GJZGRUSLSA-N 0 3 290.338 2.282 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000892604127 627304016 /nfs/dbraw/zinc/30/40/16/627304016.db2.gz ZMWOABYRTSLHIY-HUUCEWRRSA-N 0 3 290.338 2.282 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccs2)C1 ZINC001025328314 627635621 /nfs/dbraw/zinc/63/56/21/627635621.db2.gz IRIZNAIGCGFOHH-CHWSQXEVSA-N 0 3 276.405 2.212 20 30 CEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccs2)C1 ZINC001025328317 627636399 /nfs/dbraw/zinc/63/63/99/627636399.db2.gz IRIZNAIGCGFOHH-STQMWFEESA-N 0 3 276.405 2.212 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C)nc2)C1 ZINC001025344628 627647772 /nfs/dbraw/zinc/64/77/72/627647772.db2.gz RCUFSJJBNSWZCI-DOTOQJQBSA-N 0 3 299.418 2.244 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2CC(F)(F)C2)C1 ZINC001025376036 627664528 /nfs/dbraw/zinc/66/45/28/627664528.db2.gz UPGJHDSITZDCKB-CHWSQXEVSA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccncc2CC)C1 ZINC001025465234 627710481 /nfs/dbraw/zinc/71/04/81/627710481.db2.gz TYAMJQUAIWDTTG-ZBFHGGJFSA-N 0 3 299.418 2.108 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cocc2C)C1 ZINC001025509113 627729609 /nfs/dbraw/zinc/72/96/09/627729609.db2.gz LJYAFOGDTBATRG-HUUCEWRRSA-N 0 3 288.391 2.442 20 30 CEEDHN C#CCCN(CCOC)CCc1ncc(C)cc1C ZINC000852749756 627885274 /nfs/dbraw/zinc/88/52/74/627885274.db2.gz FCRFRFRNKHGBIF-UHFFFAOYSA-N 0 3 260.381 2.213 20 30 CEEDHN N#CCC[C@H](C#N)CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000930624159 628162939 /nfs/dbraw/zinc/16/29/39/628162939.db2.gz XVNUHSGXCBIWOA-TUVASFSCSA-N 0 3 261.369 2.055 20 30 CEEDHN N#CC[C@]1(O)CCN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000930818511 628276152 /nfs/dbraw/zinc/27/61/52/628276152.db2.gz IHJPPVHALWIWOC-KFWWJZLASA-N 0 3 292.329 2.386 20 30 CEEDHN C=CC[C@@H](CO)CN[C@H](C)c1cn2c(n1)CCCC2 ZINC000925699494 628535811 /nfs/dbraw/zinc/53/58/11/628535811.db2.gz WLPNOAXICQXSEE-CHWSQXEVSA-N 0 3 263.385 2.055 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2coc(CCC)n2)C1 ZINC001009198950 628594167 /nfs/dbraw/zinc/59/41/67/628594167.db2.gz CAUFKAURCLVTMY-CYBMUJFWSA-N 0 3 291.395 2.397 20 30 CEEDHN N#Cc1ccnc(COC(=O)C2CN(C3CCCCC3)C2)c1 ZINC000909387893 628695730 /nfs/dbraw/zinc/69/57/30/628695730.db2.gz RDHRQVNXXNYWHE-UHFFFAOYSA-N 0 3 299.374 2.261 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2c(C)cc(C#N)cc2C)[C@@H]1OC ZINC000893594321 628768869 /nfs/dbraw/zinc/76/88/69/628768869.db2.gz QYJUJXQBYTWDEK-ZACQAIPSSA-N 0 3 288.391 2.457 20 30 CEEDHN CC[C@@]1(CO)CCCN1Cc1csc(C#N)c1 ZINC000893906766 629037438 /nfs/dbraw/zinc/03/74/38/629037438.db2.gz ARGNUWZYAQCUPE-ZDUSSCGKSA-N 0 3 250.367 2.357 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000894028648 629095348 /nfs/dbraw/zinc/09/53/48/629095348.db2.gz PBQJRBMYIDYTGO-ZIAGYGMSSA-N 0 3 267.417 2.467 20 30 CEEDHN C[C@@H](N[C@@H](C)CC(C)(C)C#N)C(=O)NCc1ccco1 ZINC000925031244 629384266 /nfs/dbraw/zinc/38/42/66/629384266.db2.gz XGOPKABOSWJXOR-NWDGAFQWSA-N 0 3 277.368 2.202 20 30 CEEDHN C=C(C)[C@@H](CO)N1CC[C@H](c2nc(C)cs2)C1 ZINC000880010006 629447574 /nfs/dbraw/zinc/44/75/74/629447574.db2.gz RRDPUACUGCBWLP-NWDGAFQWSA-N 0 3 252.383 2.178 20 30 CEEDHN N#Cc1cc(CNCCO[C@H]2CCCCO2)cs1 ZINC000894562093 629532867 /nfs/dbraw/zinc/53/28/67/629532867.db2.gz ZLZLSPWFYPBDIP-ZDUSSCGKSA-N 0 3 266.366 2.253 20 30 CEEDHN C#C[C@@H](C)N(C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894574812 629541183 /nfs/dbraw/zinc/54/11/83/629541183.db2.gz YJKLNTXJXNQBII-GHMZBOCLSA-N 0 3 290.354 2.488 20 30 CEEDHN N#Cc1cc(CN(CCO)C2CCSCC2)cs1 ZINC000894767002 629632360 /nfs/dbraw/zinc/63/23/60/629632360.db2.gz YZTLTCLHODQPFV-UHFFFAOYSA-N 0 3 282.434 2.310 20 30 CEEDHN Cc1cc(C#N)nc(N2CCN(C)[C@@H](C(C)C)C2)c1 ZINC000895026462 629809581 /nfs/dbraw/zinc/80/95/81/629809581.db2.gz IYFZQHPAAXHTAT-CQSZACIVSA-N 0 3 258.369 2.038 20 30 CEEDHN CC1(C)CCC[C@H](CN2CCN(C(=O)CC#N)CC2)C1 ZINC000895065969 629841851 /nfs/dbraw/zinc/84/18/51/629841851.db2.gz LNGUQAXRNDNIKW-AWEZNQCLSA-N 0 3 277.412 2.261 20 30 CEEDHN N#CC(C(=O)CCC(F)F)C(=O)Nc1ccccc1 ZINC000796630377 629948518 /nfs/dbraw/zinc/94/85/18/629948518.db2.gz CSZMFCSRSDZTFZ-SNVBAGLBSA-N 0 3 266.247 2.379 20 30 CEEDHN C=CCCCN(CC)CN1CC2(CC1=O)CCOCC2 ZINC000902669335 634776909 /nfs/dbraw/zinc/77/69/09/634776909.db2.gz KUDQZIXIYKTJIR-UHFFFAOYSA-N 0 3 280.412 2.261 20 30 CEEDHN CC1(C)CCC[C@H]([NH2+][C@H]2CCCN([O-])C2=O)CC1 ZINC000895156599 629972420 /nfs/dbraw/zinc/97/24/20/629972420.db2.gz DTZWNAUQHFNFLL-RYUDHWBXSA-N 0 3 254.374 2.315 20 30 CEEDHN N#CC(C(=O)CCc1cncnc1)c1nc2ccccc2[nH]1 ZINC000796705971 629973465 /nfs/dbraw/zinc/97/34/65/629973465.db2.gz FIKOKVDBAPTTPT-GFCCVEGCSA-N 0 3 291.314 2.162 20 30 CEEDHN C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895159311 629976690 /nfs/dbraw/zinc/97/66/90/629976690.db2.gz DWTDYLVPGSCSSS-GRYCIOLGSA-N 0 3 254.374 2.171 20 30 CEEDHN CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN([O-])C1=O ZINC000895160286 629977453 /nfs/dbraw/zinc/97/74/53/629977453.db2.gz LYIZLUYMDKPJGI-AGIUHOORSA-N 0 3 254.374 2.315 20 30 CEEDHN C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895162429 629982064 /nfs/dbraw/zinc/98/20/64/629982064.db2.gz ZIRHYLQPCCBXPN-MFKMUULPSA-N 0 3 282.771 2.241 20 30 CEEDHN C=C(C)C[C@@H](CO)Nc1ccnc2ccc(OC)cc21 ZINC000895172735 629998727 /nfs/dbraw/zinc/99/87/27/629998727.db2.gz QWNXFEIFJYIFAL-LBPRGKRZSA-N 0 3 272.348 2.404 20 30 CEEDHN C[C@H](CNCC#Cc1ccccc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000895204629 630031680 /nfs/dbraw/zinc/03/16/80/630031680.db2.gz GOJDDTMIPPASNP-ZACQAIPSSA-N 0 3 286.419 2.125 20 30 CEEDHN CC1=NO[C@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000895301875 630093957 /nfs/dbraw/zinc/09/39/57/630093957.db2.gz MMHGODDPHAAIMJ-HNNXBMFYSA-N 0 3 269.348 2.496 20 30 CEEDHN C#CC1(O)CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000895382527 630154085 /nfs/dbraw/zinc/15/40/85/630154085.db2.gz IHJMCKAUSBVHJP-UHFFFAOYSA-N 0 3 281.359 2.037 20 30 CEEDHN C#CC[C@H]1CCN(Cc2cnc3onc(C)c3c2)C1 ZINC000895388870 630159546 /nfs/dbraw/zinc/15/95/46/630159546.db2.gz BDPJVTZMLWVAJR-LBPRGKRZSA-N 0 3 255.321 2.376 20 30 CEEDHN CO[C@H]1C[C@H](CNCc2cc(C#N)cnc2Cl)C1 ZINC000895540428 630241865 /nfs/dbraw/zinc/24/18/65/630241865.db2.gz WYQAXHOCNUVBTJ-OTCDBFHCSA-N 0 3 265.744 2.121 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C ZINC000797549065 630286445 /nfs/dbraw/zinc/28/64/45/630286445.db2.gz ULROASXSJGAETM-PMOUVXMZSA-N 0 3 284.359 2.270 20 30 CEEDHN C=CCCSCCNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000895693680 630304209 /nfs/dbraw/zinc/30/42/09/630304209.db2.gz LDVOOJGGXDWHSA-ZDUSSCGKSA-N 0 3 285.457 2.031 20 30 CEEDHN C=CCCSCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000895693396 630304278 /nfs/dbraw/zinc/30/42/78/630304278.db2.gz CATMYPYLQJNSRZ-KGLIPLIRSA-N 0 3 297.468 2.174 20 30 CEEDHN C#CCCCOc1cccnc1N[C@@H]1CCN(C)[C@@H]1C ZINC000895737292 630326854 /nfs/dbraw/zinc/32/68/54/630326854.db2.gz PIGPMWFILQXYPM-ZIAGYGMSSA-N 0 3 273.380 2.378 20 30 CEEDHN C[C@@H]1[C@@H](Nc2c(C#N)cnn2-c2ccccc2)CCN1C ZINC000895738327 630327674 /nfs/dbraw/zinc/32/76/74/630327674.db2.gz VHDZMJWROMNSFN-DOMZBBRYSA-N 0 3 281.363 2.248 20 30 CEEDHN N#Cc1cc(CN2C[C@@H]3CSC[C@@H]3C2)cs1 ZINC000896047203 630446311 /nfs/dbraw/zinc/44/63/11/630446311.db2.gz XEAFKDQKUMEHJT-PHIMTYICSA-N 0 3 250.392 2.415 20 30 CEEDHN C#Cc1ccc(CN2CC[C@H]3[C@@H](C(=O)OCC)[C@H]3C2)cc1 ZINC000896447344 630568529 /nfs/dbraw/zinc/56/85/29/630568529.db2.gz UFJPPJDULDCBJF-IXDOHACOSA-N 0 3 283.371 2.299 20 30 CEEDHN N#Cc1ccc([C@@H]2CN(c3ccnc(CO)c3)CCO2)cc1 ZINC000896872198 630696899 /nfs/dbraw/zinc/69/68/99/630696899.db2.gz CDTXEZAWLVRVSK-KRWDZBQOSA-N 0 3 295.342 2.023 20 30 CEEDHN C=C(C)CN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000305797006 631119611 /nfs/dbraw/zinc/11/96/11/631119611.db2.gz FXAPJFBXJKRXKI-CYBMUJFWSA-N 0 3 250.298 2.136 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccsc2)CC1 ZINC000801018190 631158735 /nfs/dbraw/zinc/15/87/35/631158735.db2.gz PYOZCKOZVRZDGS-GFCCVEGCSA-N 0 3 276.405 2.271 20 30 CEEDHN C=CCC[C@H](CO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000321016095 631235931 /nfs/dbraw/zinc/23/59/31/631235931.db2.gz NJAFJXSXFNDZHB-GFCCVEGCSA-N 0 3 285.771 2.471 20 30 CEEDHN N#Cc1ccc(NCCNCc2ccc3c(n2)CCC3)nc1 ZINC000897396365 631283265 /nfs/dbraw/zinc/28/32/65/631283265.db2.gz JHRYDQRTKMLUHI-UHFFFAOYSA-N 0 3 293.374 2.039 20 30 CEEDHN CC(C)Cn1nccc1CNCCNc1ccc(C#N)cn1 ZINC000897396399 631283563 /nfs/dbraw/zinc/28/35/63/631283563.db2.gz KEDCXGBEPUFHLQ-UHFFFAOYSA-N 0 3 298.394 2.007 20 30 CEEDHN CCc1ncc(CNCCNc2ccc(C#N)cn2)s1 ZINC000897398533 631286889 /nfs/dbraw/zinc/28/68/89/631286889.db2.gz HNEOCHHQZFWMCK-UHFFFAOYSA-N 0 3 287.392 2.174 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC([C@H](O)c2ccccc2)CC1 ZINC000801911219 631351451 /nfs/dbraw/zinc/35/14/51/631351451.db2.gz GQTONLWETXKCGC-WMLDXEAASA-N 0 3 288.391 2.361 20 30 CEEDHN C[C@H](C#N)OCCN1CCC[C@H]1c1ccc(O)cc1 ZINC000801930501 631359052 /nfs/dbraw/zinc/35/90/52/631359052.db2.gz QTZBJNRYYGGCMZ-DOMZBBRYSA-N 0 3 260.337 2.458 20 30 CEEDHN C[C@H](C#N)OCCN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000801951960 631370022 /nfs/dbraw/zinc/37/00/22/631370022.db2.gz MLJZGTWFGQSOMS-UTLUCORTSA-N 0 3 250.264 2.188 20 30 CEEDHN C[C@@H](NC[C@H]1CSCCS1)c1cc(C#N)ccn1 ZINC000902839457 634854251 /nfs/dbraw/zinc/85/42/51/634854251.db2.gz RJSOXPMDRBSLJW-PWSUYJOCSA-N 0 3 279.434 2.452 20 30 CEEDHN N#Cc1ccc(CNCC2(C3(O)CCC3)CC2)c(F)c1 ZINC000897528407 631663538 /nfs/dbraw/zinc/66/35/38/631663538.db2.gz FNOWEARAHKQIQI-UHFFFAOYSA-N 0 3 274.339 2.482 20 30 CEEDHN C[C@@H]1C[C@@H](NCc2ccsc2)CN1C(=O)C#CC1CC1 ZINC000988812656 631698963 /nfs/dbraw/zinc/69/89/63/631698963.db2.gz NKHKLBGWNGXXGI-IUODEOHRSA-N 0 3 288.416 2.241 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cscc2Cl)C1 ZINC000989008439 631715656 /nfs/dbraw/zinc/71/56/56/631715656.db2.gz SVUHWFBOIZIRDO-ZJUUUORDSA-N 0 3 282.796 2.227 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc(C(C)C)n2)C1 ZINC000989120082 631730324 /nfs/dbraw/zinc/73/03/24/631730324.db2.gz NITJOILOHLUGKC-ZIAGYGMSSA-N 0 3 285.391 2.031 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2cc(C)ccc2C)C1 ZINC000989394808 631808325 /nfs/dbraw/zinc/80/83/25/631808325.db2.gz CDWZKQVEVBKQKS-RDJZCZTQSA-N 0 3 284.403 2.058 20 30 CEEDHN N#Cc1csc(CN[C@H]2CCc3cccnc3CC2)n1 ZINC000897627099 631836623 /nfs/dbraw/zinc/83/66/23/631836623.db2.gz ZHMXPGQBJPSQGQ-LBPRGKRZSA-N 0 3 284.388 2.447 20 30 CEEDHN Cn1cc([C@@]2(CNCC#Cc3ccccc3)CCCO2)cn1 ZINC000898053390 632013436 /nfs/dbraw/zinc/01/34/36/632013436.db2.gz YHSIRAJWWPASQG-SFHVURJKSA-N 0 3 295.386 2.067 20 30 CEEDHN N#CC[C@@H](O)CN1CC[C@H](CSc2ccccc2)C1 ZINC000809574317 632102517 /nfs/dbraw/zinc/10/25/17/632102517.db2.gz JARASZNQZFVZPL-UONOGXRCSA-N 0 3 276.405 2.375 20 30 CEEDHN C#C[C@H](NCc1ccc(C(=O)NC2CC2)cc1)C(C)C ZINC000809685149 632126943 /nfs/dbraw/zinc/12/69/43/632126943.db2.gz BNHNICOIRNELKY-INIZCTEOSA-N 0 3 270.376 2.326 20 30 CEEDHN C#Cc1ccccc1CC(=O)N1CCCN(CC(=C)C)CC1 ZINC000989564500 632204412 /nfs/dbraw/zinc/20/44/12/632204412.db2.gz BINJWTLVNACLNT-UHFFFAOYSA-N 0 3 296.414 2.321 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3c(C)cccn3c2)C1 ZINC000989672320 632222364 /nfs/dbraw/zinc/22/23/64/632222364.db2.gz ISQJGCWZOUVSHU-HOCLYGCPSA-N 0 3 295.386 2.074 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3ccccc3n2)C1 ZINC000989710219 632228494 /nfs/dbraw/zinc/22/84/94/632228494.db2.gz CGTMAQHCVVIFKX-HIFRSBDPSA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3ccccc3n2)C1 ZINC000989710221 632228505 /nfs/dbraw/zinc/22/85/05/632228505.db2.gz CGTMAQHCVVIFKX-ZFWWWQNUSA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccccc2Cl)C1 ZINC000989755976 632239732 /nfs/dbraw/zinc/23/97/32/632239732.db2.gz SQWCMPHESRALQN-TZMCWYRMSA-N 0 3 290.794 2.095 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C3CC3)cc2)C1 ZINC000989819738 632246207 /nfs/dbraw/zinc/24/62/07/632246207.db2.gz MZOBJYFGGWYQLE-DYVFJYSZSA-N 0 3 282.387 2.390 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC000989859945 632256505 /nfs/dbraw/zinc/25/65/05/632256505.db2.gz ALXWFIKANYXVRA-YPMHNXCESA-N 0 3 299.349 2.133 20 30 CEEDHN CCCC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000989855605 632256876 /nfs/dbraw/zinc/25/68/76/632256876.db2.gz XTMXVIIWTAADQR-UHFFFAOYSA-N 0 3 285.391 2.439 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)[C@H]3CC3(C)C)CCC[C@H]12 ZINC000990276989 632333281 /nfs/dbraw/zinc/33/32/81/632333281.db2.gz PAGABJFGZMQOFR-WWGRRREGSA-N 0 3 262.397 2.332 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3[nH]ccc3C)CCC[C@@H]12 ZINC000990499228 632371584 /nfs/dbraw/zinc/37/15/84/632371584.db2.gz XSIWIIKCPIBSTO-RHSMWYFYSA-N 0 3 285.391 2.073 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)C(C)=C3CCC3)CCC[C@H]12 ZINC000990638723 632410287 /nfs/dbraw/zinc/41/02/87/632410287.db2.gz OEKYLGBZHRHZDT-RDJZCZTQSA-N 0 3 272.392 2.233 20 30 CEEDHN CCOCCOCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000927086674 632455124 /nfs/dbraw/zinc/45/51/24/632455124.db2.gz HVFCHHFXFQROSD-GFCCVEGCSA-N 0 3 280.343 2.401 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000811993015 632474599 /nfs/dbraw/zinc/47/45/99/632474599.db2.gz PFLZHDCVOSCDEQ-CJNGLKHVSA-N 0 3 287.407 2.173 20 30 CEEDHN C=CCOc1cc(OC)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813101632 632620980 /nfs/dbraw/zinc/62/09/80/632620980.db2.gz FVOMFPICHMGMNE-SNVBAGLBSA-N 0 3 295.291 2.082 20 30 CEEDHN C=CCOc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113914 632628607 /nfs/dbraw/zinc/62/86/07/632628607.db2.gz WARDYBFWTUVRJG-SNVBAGLBSA-N 0 3 265.265 2.073 20 30 CEEDHN CCCN1CC[C@H](NC(=O)c2[nH]c3ccccc3c2C#N)C1 ZINC000898978568 632665856 /nfs/dbraw/zinc/66/58/56/632665856.db2.gz WESYLUZVVWCZOS-LBPRGKRZSA-N 0 3 296.374 2.254 20 30 CEEDHN CC(C)(C)N1CC[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000899170325 632724840 /nfs/dbraw/zinc/72/48/40/632724840.db2.gz OVTSYTJOKBQWEX-ZDUSSCGKSA-N 0 3 297.362 2.246 20 30 CEEDHN COCc1ccccc1/C=C(/C)C=Nn1cnnc1 ZINC000814212319 632812340 /nfs/dbraw/zinc/81/23/40/632812340.db2.gz NEYCOQNRYLRVBS-VTRITOJHSA-N 0 3 256.309 2.362 20 30 CEEDHN CC1/C(=C\c2ccnn2C2CCC2)C(=O)c2ncnn21 ZINC000899380811 632821590 /nfs/dbraw/zinc/82/15/90/632821590.db2.gz LDQOIWZHICNEDU-SZJBZFAYSA-N 0 3 269.308 2.041 20 30 CEEDHN C=CCC(F)(F)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000815018129 632950246 /nfs/dbraw/zinc/95/02/46/632950246.db2.gz HHNYKUCBHPWUSB-NWDGAFQWSA-N 0 3 274.355 2.434 20 30 CEEDHN N#CC1(C[C@H](O)CN2CC(Cc3ccoc3)C2)CCC1 ZINC000899913614 633102165 /nfs/dbraw/zinc/10/21/65/633102165.db2.gz DHUGSDQVBBKFOC-HNNXBMFYSA-N 0 3 274.364 2.199 20 30 CEEDHN C=CCC(F)(F)C(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000816663038 633459948 /nfs/dbraw/zinc/45/99/48/633459948.db2.gz HNYWNZHDNQDVTF-NEPJUHHUSA-N 0 3 272.339 2.283 20 30 CEEDHN C#CCC1(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)CCCCC1 ZINC000816953753 633568884 /nfs/dbraw/zinc/56/88/84/633568884.db2.gz NELUXBUWLVABSX-CABCVRRESA-N 0 3 274.408 2.123 20 30 CEEDHN C=CC(C)(C)CC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000900659856 633795783 /nfs/dbraw/zinc/79/57/83/633795783.db2.gz ARJATMQIZWCCFK-CYBMUJFWSA-N 0 3 250.386 2.141 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](F)CC1CCCCC1 ZINC000818606460 633957891 /nfs/dbraw/zinc/95/78/91/633957891.db2.gz UNEUMROZGRBOIW-HNNXBMFYSA-N 0 3 282.403 2.366 20 30 CEEDHN OCCN1CCC(N=Nc2ccc(F)cc2Cl)CC1 ZINC000901318533 634061790 /nfs/dbraw/zinc/06/17/90/634061790.db2.gz WUGTYESCRZHVGC-UHFFFAOYSA-N 0 3 285.750 2.335 20 30 CEEDHN C[C@@H](c1ccccc1)[C@H](O)CNCc1ccc(C#N)cn1 ZINC000819310486 634135008 /nfs/dbraw/zinc/13/50/08/634135008.db2.gz BBDZESAHXMDAHO-SUMWQHHRSA-N 0 3 281.359 2.207 20 30 CEEDHN CCc1ccc(C#CC(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000819717978 634242759 /nfs/dbraw/zinc/24/27/59/634242759.db2.gz BADHQUUUBGXDBL-ZWKOTPCHSA-N 0 3 296.414 2.153 20 30 CEEDHN COc1ccc(N=NC2CCN(CCO)CC2)cc1Cl ZINC000819812119 634270469 /nfs/dbraw/zinc/27/04/69/634270469.db2.gz JSKKFEFROBQEAZ-UHFFFAOYSA-N 0 3 297.786 2.205 20 30 CEEDHN C[C@@H](N[C@H]1CCCc2cn[nH]c21)c1cc(C#N)ccn1 ZINC000902882084 634877106 /nfs/dbraw/zinc/87/71/06/634877106.db2.gz UCEUCADLARUZMO-MFKMUULPSA-N 0 3 267.336 2.405 20 30 CEEDHN CCO[C@@H]1COC[C@H]1N[C@H](CC)c1cccc(C#N)c1 ZINC000903014254 634939124 /nfs/dbraw/zinc/93/91/24/634939124.db2.gz PCQAPTWSKXZGNV-BZUAXINKSA-N 0 3 274.364 2.403 20 30 CEEDHN C[C@H](NCC(C)(C)C(C)(C)O)c1cc(C#N)ccn1 ZINC000903014405 634939295 /nfs/dbraw/zinc/93/92/95/634939295.db2.gz RUDDSBKYFCVPDQ-NSHDSACASA-N 0 3 261.369 2.401 20 30 CEEDHN C[C@@H](NCCCC1(O)CCC1)c1cc(C#N)ccn1 ZINC000903024183 634945641 /nfs/dbraw/zinc/94/56/41/634945641.db2.gz WOFOYHDXKZXHCT-GFCCVEGCSA-N 0 3 259.353 2.299 20 30 CEEDHN C[C@@H](NC[C@@H]1CC(C)(C)CO1)c1cc(C#N)ccn1 ZINC000903084688 634962140 /nfs/dbraw/zinc/96/21/40/634962140.db2.gz HEQAUOBBJMPOQW-YPMHNXCESA-N 0 3 259.353 2.419 20 30 CEEDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1cc(C#N)ccn1 ZINC000903260796 635033946 /nfs/dbraw/zinc/03/39/46/635033946.db2.gz QTOXRIGHIZLCMH-ZBINZKHDSA-N 0 3 257.337 2.171 20 30 CEEDHN C=CCC[C@@H](NCc1cn(C)nc1OC)[C@H]1CCCO1 ZINC000903346099 635073326 /nfs/dbraw/zinc/07/33/26/635073326.db2.gz RASZCUKQHQAFOA-ZIAGYGMSSA-N 0 3 279.384 2.032 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(C)ccc1NC1CC1 ZINC000823187317 635091165 /nfs/dbraw/zinc/09/11/65/635091165.db2.gz BSROXRPOYJJQEZ-UHFFFAOYSA-N 0 3 299.418 2.254 20 30 CEEDHN C#C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccccc1 ZINC000823469642 635188355 /nfs/dbraw/zinc/18/83/55/635188355.db2.gz FHHZRRFTPLDHEM-HOTGVXAUSA-N 0 3 270.376 2.350 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)C1(C#N)CCSCC1 ZINC000824659001 635472636 /nfs/dbraw/zinc/47/26/36/635472636.db2.gz VKONIKNWPKBLNS-LBPRGKRZSA-N 0 3 295.452 2.012 20 30 CEEDHN N#CC[C@@H]1CC[C@H](NCc2cn(-c3ccccc3)nn2)C1 ZINC000824683384 635476922 /nfs/dbraw/zinc/47/69/22/635476922.db2.gz GXLCMQGPGKFRNN-KBPBESRZSA-N 0 3 281.363 2.439 20 30 CEEDHN Cn1ncc(CN[C@H]2CC[C@@H](CC#N)C2)c1Cl ZINC000824691168 635478386 /nfs/dbraw/zinc/47/83/86/635478386.db2.gz WEKADHZUEHLNCN-ONGXEEELSA-N 0 3 252.749 2.245 20 30 CEEDHN C#CCOc1ccccc1CNCCOCC(=C)C ZINC000125795130 650211934 /nfs/dbraw/zinc/21/19/34/650211934.db2.gz SYIFHDHWAVIXHT-UHFFFAOYSA-N 0 3 259.349 2.381 20 30 CEEDHN N#CC1(c2ccc(CN3CC[C@@](O)(C(F)F)C3)cc2)CC1 ZINC000826052760 635752669 /nfs/dbraw/zinc/75/26/69/635752669.db2.gz FJDDRPIPNHTDPP-INIZCTEOSA-N 0 3 292.329 2.444 20 30 CEEDHN CC1/C(=C\c2ccc3c(c2)CCO3)C(=O)c2ncnn21 ZINC000905081467 635797333 /nfs/dbraw/zinc/79/73/33/635797333.db2.gz QRBKJOPYJOCHHR-SZUMLMDFSA-N 0 3 267.288 2.054 20 30 CEEDHN COc1cccc(C)c1/C=C1\C(=O)c2ncnn2C1C ZINC000905083395 635798256 /nfs/dbraw/zinc/79/82/56/635798256.db2.gz CUCFAEHSJYDCFH-BZPKPHBRSA-N 0 3 269.304 2.436 20 30 CEEDHN Cc1cc(N(C)C)ccc1/C=C1/C(=O)c2ncnn2C1C ZINC000905083835 635798647 /nfs/dbraw/zinc/79/86/47/635798647.db2.gz GAZPCCKPEOPHQV-GYBQTFJISA-N 0 3 282.347 2.493 20 30 CEEDHN COCc1csc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905084644 635799744 /nfs/dbraw/zinc/79/97/44/635799744.db2.gz JRFGZSGLSZZMAJ-TYXSZMRMSA-N 0 3 275.333 2.327 20 30 CEEDHN COc1cccc(OC)c1/C=C1\C(=O)c2ncnn2C1C ZINC000905085857 635800163 /nfs/dbraw/zinc/80/01/63/635800163.db2.gz PNIIUYUKZCCYNQ-SBMLRHLQSA-N 0 3 285.303 2.136 20 30 CEEDHN Cc1ccc(CNC[C@@H](O)CC2(C#N)CC2)c(Cl)n1 ZINC000905433157 636278695 /nfs/dbraw/zinc/27/86/95/636278695.db2.gz WFEGHNHQRLRVDI-LBPRGKRZSA-N 0 3 279.771 2.188 20 30 CEEDHN C#C[C@@H](NCc1cnc(CC)s1)C1CCOCC1 ZINC000827564809 636354535 /nfs/dbraw/zinc/35/45/35/636354535.db2.gz GNWSRSUFVJAERB-CYBMUJFWSA-N 0 3 264.394 2.224 20 30 CEEDHN N#Cc1ccc([C@H](O)CNCc2cccc3c2OCC3)cc1 ZINC000905616704 636359273 /nfs/dbraw/zinc/35/92/73/636359273.db2.gz KVIBNLZFAVCGRJ-QGZVFWFLSA-N 0 3 294.354 2.316 20 30 CEEDHN C=CC[C@H]1CCCC[C@H]1NCc1cn(CCC(C)=O)nn1 ZINC000906312869 636697821 /nfs/dbraw/zinc/69/78/21/636697821.db2.gz FASNKOCNILKYHP-GOEBONIOSA-N 0 3 290.411 2.482 20 30 CEEDHN C#C[C@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C3CC3)C2)CC1 ZINC000876443269 650280696 /nfs/dbraw/zinc/28/06/96/650280696.db2.gz HOWQYJIKJCQZFC-IIAWOOMASA-N 0 3 289.423 2.057 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000829774253 636926863 /nfs/dbraw/zinc/92/68/63/636926863.db2.gz NZLUZALOBASSBJ-ARFHVFGLSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)N2CCCC[C@H]2C)C1 ZINC000829774285 636926878 /nfs/dbraw/zinc/92/68/78/636926878.db2.gz OPDSAOOXNXYVOL-HUUCEWRRSA-N 0 3 262.397 2.123 20 30 CEEDHN C=C1CCC(C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000907281019 636983317 /nfs/dbraw/zinc/98/33/17/636983317.db2.gz FNXRHKAHFISXBV-ZDUSSCGKSA-N 0 3 262.397 2.499 20 30 CEEDHN C#CC1CCN([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000830311503 637032258 /nfs/dbraw/zinc/03/22/58/637032258.db2.gz NYRCMBIMNUVCFH-CQSZACIVSA-N 0 3 262.397 2.123 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCC)cc1 ZINC000876544949 650315374 /nfs/dbraw/zinc/31/53/74/650315374.db2.gz CNVVSYMFVUYDJW-GFCCVEGCSA-N 0 3 268.744 2.494 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1OC ZINC000876544890 650315599 /nfs/dbraw/zinc/31/55/99/650315599.db2.gz ABAFIXBGUKDNQS-SECBINFHSA-N 0 3 254.717 2.104 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000876545231 650316242 /nfs/dbraw/zinc/31/62/42/650316242.db2.gz JHMIIYVVMFEPPX-SNVBAGLBSA-N 0 3 283.715 2.312 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)C#Cc2cccs2)C1 ZINC000831196703 637251590 /nfs/dbraw/zinc/25/15/90/637251590.db2.gz YTVMSDMMKRECSN-UHFFFAOYSA-N 0 3 290.432 2.338 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C)cc1 ZINC000876550758 650321328 /nfs/dbraw/zinc/32/13/28/650321328.db2.gz JWHVDMKBWQMKGX-LBPRGKRZSA-N 0 3 252.745 2.081 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000876557181 650325132 /nfs/dbraw/zinc/32/51/32/650325132.db2.gz FTRDWHAVMBVCQI-LLVKDONJSA-N 0 3 296.754 2.256 20 30 CEEDHN COC(=O)C1(C#N)CCN([C@@H](C)CC(C)C)CC1 ZINC000831699358 637413804 /nfs/dbraw/zinc/41/38/04/637413804.db2.gz MCRFUHQFYVJJQV-LBPRGKRZSA-N 0 3 252.358 2.200 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1CC(C)C ZINC000876591783 650348979 /nfs/dbraw/zinc/34/89/79/650348979.db2.gz OZXHRENDKNDARZ-RYUDHWBXSA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)cc1OC ZINC000876609108 650358262 /nfs/dbraw/zinc/35/82/62/650358262.db2.gz IHYYYHCQJWTTFR-SNVBAGLBSA-N 0 3 268.744 2.412 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCc1ccccc1F ZINC000876614151 650359735 /nfs/dbraw/zinc/35/97/35/650359735.db2.gz ZLNZCFHIPROIJI-CYBMUJFWSA-N 0 3 284.762 2.297 20 30 CEEDHN CC1(C)OCC[C@H]1NN=C1CCCc2cc(N)ccc21 ZINC000835022005 638027618 /nfs/dbraw/zinc/02/76/18/638027618.db2.gz UPVPRMKCSMIKRX-OAHLLOKOSA-N 0 3 273.380 2.466 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000876675485 650393997 /nfs/dbraw/zinc/39/39/97/650393997.db2.gz BRVZFNNYFRBZIU-ZDUSSCGKSA-N 0 3 296.773 2.443 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2ccccc2F)CC1 ZINC000876672505 650393030 /nfs/dbraw/zinc/39/30/30/650393030.db2.gz FDOOATNYLGVKJX-GFCCVEGCSA-N 0 3 282.746 2.401 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000876673286 650393605 /nfs/dbraw/zinc/39/36/05/650393605.db2.gz VYAGKRLJDRSWIP-IUODEOHRSA-N 0 3 292.810 2.378 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)Oc1ccccc1C ZINC000876684455 650398068 /nfs/dbraw/zinc/39/80/68/650398068.db2.gz NOJWPKFPGQYRDV-CHWSQXEVSA-N 0 3 296.798 2.348 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccsn3)CCC[C@@H]12 ZINC000991301556 638239914 /nfs/dbraw/zinc/23/99/14/638239914.db2.gz QSVAEKJBTPXUPN-OCCSQVGLSA-N 0 3 277.393 2.056 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)c1ccncc1 ZINC000876762286 650423422 /nfs/dbraw/zinc/42/34/22/650423422.db2.gz FFMAWJRGDDIGFV-NWDGAFQWSA-N 0 3 267.760 2.119 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccnn1C(C)C ZINC000912028510 638518039 /nfs/dbraw/zinc/51/80/39/638518039.db2.gz CVTBEZWREOSONW-LLVKDONJSA-N 0 3 250.346 2.086 20 30 CEEDHN C#C[C@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000836407694 638624239 /nfs/dbraw/zinc/62/42/39/638624239.db2.gz RCRJFUKTLJRXIW-HOTGVXAUSA-N 0 3 299.418 2.172 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(NC(=O)OC)c1 ZINC000912486191 638700770 /nfs/dbraw/zinc/70/07/70/638700770.db2.gz YRXQXIYEXBUBTR-CYBMUJFWSA-N 0 3 291.351 2.487 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)c1ccncc1 ZINC000876849924 650458284 /nfs/dbraw/zinc/45/82/84/650458284.db2.gz CATZOLQHOLMQKP-PWSUYJOCSA-N 0 3 267.760 2.071 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000876874680 650468074 /nfs/dbraw/zinc/46/80/74/650468074.db2.gz JGRIDUZWCDBZSW-LBPRGKRZSA-N 0 3 279.771 2.087 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)C#CC2CC2)CN1Cc1ccccc1 ZINC000837464573 639240918 /nfs/dbraw/zinc/24/09/18/639240918.db2.gz JKECHKNVUMVUCZ-YOEHRIQHSA-N 0 3 282.387 2.179 20 30 CEEDHN C#CCCCCCCN[C@@H](C(N)=O)c1ccccc1 ZINC000876918678 650486050 /nfs/dbraw/zinc/48/60/50/650486050.db2.gz LDOYMFABRFTDIU-OAHLLOKOSA-N 0 3 258.365 2.386 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CCC(OC(C)C)CC1 ZINC000876940516 650497082 /nfs/dbraw/zinc/49/70/82/650497082.db2.gz UJFNRNNXOUQZRT-WXRRBKDZSA-N 0 3 288.819 2.309 20 30 CEEDHN Cc1nccn1CCCNCc1cc(C#N)cnc1Cl ZINC000876946581 650500468 /nfs/dbraw/zinc/50/04/68/650500468.db2.gz MKSNUEGBVAINJS-UHFFFAOYSA-N 0 3 289.770 2.292 20 30 CEEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2CCCOC2)c1 ZINC000876957131 650505124 /nfs/dbraw/zinc/50/51/24/650505124.db2.gz UXULBVIKUVCYLH-JTQLQIEISA-N 0 3 265.744 2.123 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](CCF)C1 ZINC000876968424 650512064 /nfs/dbraw/zinc/51/20/64/650512064.db2.gz IGBMKNPSQXGZND-GHMZBOCLSA-N 0 3 262.756 2.055 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000876974958 650513992 /nfs/dbraw/zinc/51/39/92/650513992.db2.gz YIJYDGDALYVPAJ-ZIAGYGMSSA-N 0 3 294.782 2.136 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001014919218 639652014 /nfs/dbraw/zinc/65/20/14/639652014.db2.gz KEVMNDBTIZZBOQ-CVEARBPZSA-N 0 3 274.408 2.337 20 30 CEEDHN C=CC[C@H](NC(=O)N1CCN[C@@H](C)[C@H]1C)c1ccncc1 ZINC000841825106 639873825 /nfs/dbraw/zinc/87/38/25/639873825.db2.gz KYAMKXVYZCNKLV-GUTXKFCHSA-N 0 3 288.395 2.091 20 30 CEEDHN C#CC[C@H](NC(=O)N1C[C@H](C)NC[C@@H]1C)c1ccccc1 ZINC000841865068 639890168 /nfs/dbraw/zinc/89/01/68/639890168.db2.gz JRWQJYCSNQUVFF-DZKIICNBSA-N 0 3 285.391 2.143 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)C3CCC(F)CC3)CCC[C@@H]12 ZINC000992152858 639975433 /nfs/dbraw/zinc/97/54/33/639975433.db2.gz NTQGSQXYKUFDNC-BOXZVXIZSA-N 0 3 292.398 2.261 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3nc(C)oc3C)CCC[C@@H]12 ZINC000992348085 640029755 /nfs/dbraw/zinc/02/97/55/640029755.db2.gz DMNYXGJNOURIHW-CZUORRHYSA-N 0 3 289.379 2.204 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000877043483 650544321 /nfs/dbraw/zinc/54/43/21/650544321.db2.gz KESCTKJEAXMAQP-GARJFASQSA-N 0 3 270.785 2.190 20 30 CEEDHN C[C@@H](CO)N(C)N=C/C=C\c1ccc(N(C)C)cc1 ZINC000842538032 640093773 /nfs/dbraw/zinc/09/37/73/640093773.db2.gz HSRMTACEGVHNGN-TUZXDBCRSA-N 0 3 261.369 2.064 20 30 CEEDHN C[C@@H](CO)N(C)N=C1CCCC[C@H]1N1CCCCC1 ZINC000842540358 640095381 /nfs/dbraw/zinc/09/53/81/640095381.db2.gz JZEPYIMTBBZKHJ-DZGCQCFKSA-N 0 3 267.417 2.084 20 30 CEEDHN C#CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000842628645 640124416 /nfs/dbraw/zinc/12/44/16/640124416.db2.gz DHEHCALDZMFCRN-BLLLJJGKSA-N 0 3 287.359 2.053 20 30 CEEDHN C#CC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000842628645 640124418 /nfs/dbraw/zinc/12/44/18/640124418.db2.gz DHEHCALDZMFCRN-BLLLJJGKSA-N 0 3 287.359 2.053 20 30 CEEDHN N#Cc1cnc(Cl)c(CNC[C@H]2CCC[C@@H](O)C2)c1 ZINC000877059442 650553811 /nfs/dbraw/zinc/55/38/11/650553811.db2.gz WASVBUMHCBCQGO-GXFFZTMASA-N 0 3 279.771 2.247 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000877063356 650555580 /nfs/dbraw/zinc/55/55/80/650555580.db2.gz FIGDIHYHANSYOL-NXOAAHMSSA-N 0 3 297.402 2.270 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1Cc2cccc(OC)c2C1 ZINC000877065613 650557197 /nfs/dbraw/zinc/55/71/97/650557197.db2.gz RZNXECRWESGCMF-GFCCVEGCSA-N 0 3 280.755 2.007 20 30 CEEDHN C[C@@H](NCc1cccc(C#N)n1)[C@@H](O)c1cccc(F)c1 ZINC000877083320 650564223 /nfs/dbraw/zinc/56/42/23/650564223.db2.gz LKOHDROTAMUURE-BDJLRTHQSA-N 0 3 285.322 2.304 20 30 CEEDHN C#CCN(C(=O)N[C@H](C)[C@H](C)CC)C1CCN(C)CC1 ZINC000914365580 640326329 /nfs/dbraw/zinc/32/63/29/640326329.db2.gz WREDIZHOYCLVMV-ZIAGYGMSSA-N 0 3 279.428 2.160 20 30 CEEDHN C#CCN(C(=O)N[C@@H](C)[C@@H](C)CC)C1CCN(C)CC1 ZINC000914365577 640326353 /nfs/dbraw/zinc/32/63/53/640326353.db2.gz WREDIZHOYCLVMV-KBPBESRZSA-N 0 3 279.428 2.160 20 30 CEEDHN C#C[C@H](CC)NCc1cn(C)nc1-c1ccc(C)o1 ZINC000843409760 640418278 /nfs/dbraw/zinc/41/82/78/640418278.db2.gz VRPWHZNGNKWXPL-CYBMUJFWSA-N 0 3 257.337 2.490 20 30 CEEDHN C#Cc1ccc(CN2CC[C@H](Nc3ncccn3)C2)cc1 ZINC000843414395 640418967 /nfs/dbraw/zinc/41/89/67/640418967.db2.gz BUXSYTMCTCNLRW-INIZCTEOSA-N 0 3 278.359 2.144 20 30 CEEDHN CCN(CC)c1ccc(CN2CC[C@](O)(CC#N)C2)cc1 ZINC000843425153 640425118 /nfs/dbraw/zinc/42/51/18/640425118.db2.gz GCDVUWFVAWHZAC-QGZVFWFLSA-N 0 3 287.407 2.383 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(F)nc2)[C@@H]1C ZINC000993145219 640480310 /nfs/dbraw/zinc/48/03/10/640480310.db2.gz UTHNDUJAHIKMAP-JSGCOSHPSA-N 0 3 291.370 2.380 20 30 CEEDHN CN1CCc2cc(C=NOC[C@@H]3CCOC3)ccc21 ZINC000788032759 640488087 /nfs/dbraw/zinc/48/80/87/640488087.db2.gz DADUVDDRSAAVJY-CYBMUJFWSA-N 0 3 260.337 2.066 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnn(CC)c2)[C@@H]1C ZINC000993166955 640500813 /nfs/dbraw/zinc/50/08/13/640500813.db2.gz DFGKOSMGLIVASM-ZFWWWQNUSA-N 0 3 290.411 2.062 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC000993207431 640549078 /nfs/dbraw/zinc/54/90/78/640549078.db2.gz MMKVHDGCUGXAMM-JSGCOSHPSA-N 0 3 286.379 2.045 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc[nH]c2C)[C@@H]1C ZINC000993219927 640561539 /nfs/dbraw/zinc/56/15/39/640561539.db2.gz UGARTXWBCQPHMR-DZGCQCFKSA-N 0 3 275.396 2.482 20 30 CEEDHN CCCN(C(=O)c1ccc(C)c(C#N)c1)[C@H]1CCN(C)C1 ZINC000843989823 640571725 /nfs/dbraw/zinc/57/17/25/640571725.db2.gz PDAAQEVKCMIVKD-INIZCTEOSA-N 0 3 285.391 2.423 20 30 CEEDHN C#CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000844045852 640588051 /nfs/dbraw/zinc/58/80/51/640588051.db2.gz RVOQOKSAJQDVJS-UHFFFAOYSA-N 0 3 270.376 2.234 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccn2CC=C)[C@@H]1C ZINC000993448771 640648409 /nfs/dbraw/zinc/64/84/09/640648409.db2.gz RCEAREZQWJMIGF-HOTGVXAUSA-N 0 3 299.418 2.280 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2c[nH]nc2CC)[C@H]1C ZINC000993556976 640657441 /nfs/dbraw/zinc/65/74/41/640657441.db2.gz SMEWOHXWVPNSLB-IUODEOHRSA-N 0 3 290.411 2.131 20 30 CEEDHN Cc1noc(C)c1CCN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365895 640694199 /nfs/dbraw/zinc/69/41/99/640694199.db2.gz JGYLGFAFULGDGD-KRWDZBQOSA-N 0 3 299.374 2.371 20 30 CEEDHN CN(C[C@H](O)c1cccc(C#N)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000844370370 640695195 /nfs/dbraw/zinc/69/51/95/640695195.db2.gz GXDZGTLQXNNZKI-BMFZPTHFSA-N 0 3 269.348 2.216 20 30 CEEDHN Cc1nnc(SC[C@@H]2CCCN2C)c(C#N)c1C ZINC000916570054 640781408 /nfs/dbraw/zinc/78/14/08/640781408.db2.gz NZYAJGYHLYTURB-NSHDSACASA-N 0 3 262.382 2.151 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001015755190 640832694 /nfs/dbraw/zinc/83/26/94/640832694.db2.gz KTRNTQHVFJIVFP-QZTJIDSGSA-N 0 3 296.414 2.005 20 30 CEEDHN C=CCN1CCC[C@@H](NC(=O)c2c[nH]c3ncccc23)[C@@H]1C ZINC000994453877 640841484 /nfs/dbraw/zinc/84/14/84/640841484.db2.gz RHTSLXUCDGDDAZ-SWLSCSKDSA-N 0 3 298.390 2.332 20 30 CEEDHN C=CCN(C(=O)NCCN1CCC(C)CC1)C(C)C ZINC000918065714 640938608 /nfs/dbraw/zinc/93/86/08/640938608.db2.gz SVKGQYZVWFVPEQ-UHFFFAOYSA-N 0 3 267.417 2.324 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000930018739 640954493 /nfs/dbraw/zinc/95/44/93/640954493.db2.gz ASRWXYSIMRSBEK-YPMHNXCESA-N 0 3 272.352 2.081 20 30 CEEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccc1)n1ccnc1 ZINC000845441957 640975762 /nfs/dbraw/zinc/97/57/62/640975762.db2.gz IWSHDCMNGSNHQC-TZMCWYRMSA-N 0 3 296.330 2.182 20 30 CEEDHN C=CCCO[C@H](C)C(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845733835 641064666 /nfs/dbraw/zinc/06/46/66/641064666.db2.gz DRWXYZYOUDAVAN-CHWSQXEVSA-N 0 3 269.385 2.384 20 30 CEEDHN N#CCCNC1CCC2(CC1)c1ccccc1NC2=O ZINC000845965046 641140200 /nfs/dbraw/zinc/14/02/00/641140200.db2.gz PXTRVQHKJJHLTP-UHFFFAOYSA-N 0 3 269.348 2.322 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)OCC(C)C ZINC000920790205 641200586 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/nfs/dbraw/zinc/40/90/35/647409035.db2.gz VRMZIIYGVGBDDY-UHFFFAOYSA-N 0 3 281.319 2.492 20 30 CEEDHN CN1CC[C@@H]2CN(c3snc(Cl)c3C#N)C[C@@H]2C1 ZINC000865903016 647529981 /nfs/dbraw/zinc/52/99/81/647529981.db2.gz BQMBYIKTCQKCHS-BDAKNGLRSA-N 0 3 282.800 2.056 20 30 CEEDHN CN(C(=O)c1ccc2c(C#N)c[nH]c2c1)[C@@H]1CCCN(C)C1 ZINC000866067829 647595294 /nfs/dbraw/zinc/59/52/94/647595294.db2.gz IRXSENHRQGINOU-CQSZACIVSA-N 0 3 296.374 2.206 20 30 CEEDHN CC[C@H](NCc1ccc(C#N)cn1)C1(C(=O)OC)CCC1 ZINC000783301285 647707564 /nfs/dbraw/zinc/70/75/64/647707564.db2.gz VAZZNSWDLCXLIF-AWEZNQCLSA-N 0 3 287.363 2.165 20 30 CEEDHN CC[C@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1nccn1C ZINC000866618306 647845270 /nfs/dbraw/zinc/84/52/70/647845270.db2.gz YOLCXYUUCKKBND-HOTGVXAUSA-N 0 3 280.375 2.500 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC2(CNC(=O)O2)CC1 ZINC000785486519 647931926 /nfs/dbraw/zinc/93/19/26/647931926.db2.gz JRJKLEVCUKSQIG-GFCCVEGCSA-N 0 3 285.347 2.194 20 30 CEEDHN C#CCCN1CCN([C@H]2CCc3ccccc32)CC1 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ZINC000788812157 648226133 /nfs/dbraw/zinc/22/61/33/648226133.db2.gz ABVIONLJECBPMD-GHMZBOCLSA-N 0 3 252.745 2.249 20 30 CEEDHN CC1(C)C(=Nn2cnnc2)C[C@@H]1Oc1ccccc1 ZINC000788929786 648235515 /nfs/dbraw/zinc/23/55/15/648235515.db2.gz ZJXZFRHLNKYUKU-ZDUSSCGKSA-N 0 3 256.309 2.360 20 30 CEEDHN CCOC(=O)C1(CNCc2ccc(C#N)o2)CCCC1 ZINC000792194243 648623070 /nfs/dbraw/zinc/62/30/70/648623070.db2.gz AIIQEIXZBTYSCZ-UHFFFAOYSA-N 0 3 276.336 2.364 20 30 CEEDHN C=CCCCS(=O)(=O)Nc1ccccc1CN(C)C ZINC000794017766 648822260 /nfs/dbraw/zinc/82/22/60/648822260.db2.gz ACSXEGSOICNHIO-UHFFFAOYSA-N 0 3 282.409 2.456 20 30 CEEDHN C#CC(C)(C)N(C)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000794578641 648887834 /nfs/dbraw/zinc/88/78/34/648887834.db2.gz CSBQCLVYZXKAGN-CYBMUJFWSA-N 0 3 253.292 2.342 20 30 CEEDHN C[C@H]([NH2+]C1CCN(CC#N)CC1)c1cccc([O-])c1F ZINC000872034659 649248355 /nfs/dbraw/zinc/24/83/55/649248355.db2.gz QFNHMOQXHVWGSV-NSHDSACASA-N 0 3 277.343 2.170 20 30 CEEDHN CC(C)OC[C@@H](O)CN[C@@H](CCC#N)c1ccccc1 ZINC000872204871 649314676 /nfs/dbraw/zinc/31/46/76/649314676.db2.gz IWRPANLUWZYRDV-HOTGVXAUSA-N 0 3 276.380 2.407 20 30 CEEDHN C[C@@H]1C(N=Nc2ccc3c(cc[nH]c3=O)c2)CCN1C ZINC000872370675 649370194 /nfs/dbraw/zinc/37/01/94/649370194.db2.gz CUEOZXINOOFJFI-SNVBAGLBSA-N 0 3 270.336 2.020 20 30 CEEDHN Cc1cc(NN=Cc2ccnn2CC2CCC2)ccn1 ZINC000872393239 649378879 /nfs/dbraw/zinc/37/88/79/649378879.db2.gz QHFGGNTVONKBAO-UHFFFAOYSA-N 0 3 269.352 2.255 20 30 CEEDHN N#Cc1c(F)cccc1CNCCC[C@H]1CCOC1=O ZINC000873159189 649574930 /nfs/dbraw/zinc/57/49/30/649574930.db2.gz DZBCMLPZSDWVGI-NSHDSACASA-N 0 3 276.311 2.130 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874829534 649844569 /nfs/dbraw/zinc/84/45/69/649844569.db2.gz MAYBZILERJTJJQ-GZBFAFLISA-N 0 3 250.386 2.284 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874834513 649846454 /nfs/dbraw/zinc/84/64/54/649846454.db2.gz SHMLWFMUFNBCMF-HZPDHXFCSA-N 0 3 283.375 2.175 20 30 CEEDHN C#CCOc1ccc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)cc1 ZINC000874835681 649847305 /nfs/dbraw/zinc/84/73/05/649847305.db2.gz AQYHJCLDTNKVSV-DLBZAZTESA-N 0 3 298.386 2.007 20 30 CEEDHN COC(=O)[C@@]1(c2ccccc2)CCN(CC2(CC#N)CC2)C1 ZINC000878642299 651149335 /nfs/dbraw/zinc/14/93/35/651149335.db2.gz ZIFWGTXPBIFXIT-SFHVURJKSA-N 0 3 298.386 2.497 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ncsc2C2CC2)CC1 ZINC000878750378 651177757 /nfs/dbraw/zinc/17/77/57/651177757.db2.gz CFBNOXYIWUHBNC-UHFFFAOYSA-N 0 3 291.420 2.401 20 30 CEEDHN C=CCN(C[C@H]1CC2(CO1)CCOCC2)[C@H](C)COC ZINC000878889759 651204478 /nfs/dbraw/zinc/20/44/78/651204478.db2.gz HPRNMORSADFUHF-HUUCEWRRSA-N 0 3 283.412 2.095 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC([C@H](F)C(N)=O)CC1 ZINC000879045064 651233903 /nfs/dbraw/zinc/23/39/03/651233903.db2.gz GSNVNKOLGXNXCC-ABAIWWIYSA-N 0 3 289.354 2.155 20 30 CEEDHN C=C(Br)CN[C@](C)(CC(=O)OC)C1CC1 ZINC000879439978 651304058 /nfs/dbraw/zinc/30/40/58/651304058.db2.gz AEEHFVBTXMBKFX-LLVKDONJSA-N 0 3 276.174 2.216 20 30 CEEDHN 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C=C(C)C[C@H](CO)NCc1c[nH]c(-c2ccccc2)n1 ZINC000883400548 652456553 /nfs/dbraw/zinc/45/65/53/652456553.db2.gz PKZAAGNWKDQEPO-CQSZACIVSA-N 0 3 271.364 2.493 20 30 CEEDHN C[C@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccccc1 ZINC000884043961 652654457 /nfs/dbraw/zinc/65/44/57/652654457.db2.gz PRTYLPQLNQLKKN-IDSHBHDBSA-N 0 3 283.375 2.003 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](N)CC1CC1 ZINC000884058408 652675714 /nfs/dbraw/zinc/67/57/14/652675714.db2.gz JPWSNMANGHEFDV-CYBMUJFWSA-N 0 3 264.394 2.390 20 30 CEEDHN CC[C@@H]1CCCC[C@H]1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884091587 652704084 /nfs/dbraw/zinc/70/40/84/652704084.db2.gz CGVMEBLJSPHESW-RJZXRHAOSA-N 0 3 289.423 2.211 20 30 CEEDHN C[C@H]1c2ccccc2CN1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884143476 652726723 /nfs/dbraw/zinc/72/67/23/652726723.db2.gz ISHXPJYBIATLCL-ZEJWKSJJSA-N 0 3 295.386 2.229 20 30 CEEDHN C=CCN1CCC(NC(=O)NC2CCC=CCC2)CC1 ZINC000884161904 652736393 /nfs/dbraw/zinc/73/63/93/652736393.db2.gz PVNCRHVLVHOPRN-UHFFFAOYSA-N 0 3 277.412 2.435 20 30 CEEDHN CCC(C)(C)CCNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884454462 652859286 /nfs/dbraw/zinc/85/92/86/652859286.db2.gz OVZJYMRJLWPCLM-UYJPIKCFSA-N 0 3 277.412 2.068 20 30 CEEDHN C#CCN1CCC[C@H](Nc2nc3ccccc3[nH]2)C1 ZINC000884613730 652943974 /nfs/dbraw/zinc/94/39/74/652943974.db2.gz URZVJXMDZCZLNE-LBPRGKRZSA-N 0 3 254.337 2.072 20 30 CEEDHN C=CCC(CC=C)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000885873715 653061287 /nfs/dbraw/zinc/06/12/87/653061287.db2.gz XMXSXVNURMISKU-MRXNPFEDSA-N 0 3 292.423 2.124 20 30 CEEDHN CCc1occc1C(=O)NCCNCc1cccc(C#N)c1 ZINC001126502343 805606766 /nfs/dbraw/zinc/60/67/66/805606766.db2.gz WOFCQBACUDXVKZ-UHFFFAOYSA-N 0 3 297.358 2.233 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@H](C)COC)CC2 ZINC001270863360 805622462 /nfs/dbraw/zinc/62/24/62/805622462.db2.gz GAVPYVFWOIUTKU-OAHLLOKOSA-N 0 3 294.439 2.160 20 30 CEEDHN C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC1CCC1 ZINC001029244920 805626950 /nfs/dbraw/zinc/62/69/50/805626950.db2.gz MPVPLRCKLJCKHJ-CWRNSKLLSA-N 0 3 289.423 2.402 20 30 CEEDHN C#CCN1CCC(C)(CNC(=O)c2ncc(C)cc2C)CC1 ZINC001270892023 805661566 /nfs/dbraw/zinc/66/15/66/805661566.db2.gz AKXSCXBYDKLCSB-UHFFFAOYSA-N 0 3 299.418 2.164 20 30 CEEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2CCC2(C)C)CC1 ZINC001270899106 805667950 /nfs/dbraw/zinc/66/79/50/805667950.db2.gz CWHFJNXLAJITPB-CQSZACIVSA-N 0 3 276.424 2.274 20 30 CEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2coc(CC)n2)C1 ZINC001270950388 805698024 /nfs/dbraw/zinc/69/80/24/805698024.db2.gz RUBOCYVONGJHOJ-MRXNPFEDSA-N 0 3 291.395 2.255 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)sn2)[C@H]1CC ZINC001087554338 805742401 /nfs/dbraw/zinc/74/24/01/805742401.db2.gz BMHFIUXCJHBYBE-WCQYABFASA-N 0 3 279.409 2.220 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(C)nc2)[C@H]1CC ZINC001087830029 805807587 /nfs/dbraw/zinc/80/75/87/805807587.db2.gz ITBWWVQXLZUBJB-JKSUJKDBSA-N 0 3 287.407 2.088 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)C2CCOCC2)[C@H]1CC ZINC001087852027 805817240 /nfs/dbraw/zinc/81/72/40/805817240.db2.gz CPCVLOIWOWRGEY-VNQPRFMTSA-N 0 3 294.439 2.204 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)C(C)=C3CCCC3)C[C@@H]2C1 ZINC001087930786 805858190 /nfs/dbraw/zinc/85/81/90/805858190.db2.gz YUSZOXBSRYSCEO-SJORKVTESA-N 0 3 286.419 2.290 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C(C)(C)CC)C[C@@H]2C1 ZINC001088086354 805922534 /nfs/dbraw/zinc/92/25/34/805922534.db2.gz GMTSWTKCNNMDPC-CABCVRRESA-N 0 3 276.424 2.226 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cncc2[nH]ccc21 ZINC001038456758 805937662 /nfs/dbraw/zinc/93/76/62/805937662.db2.gz LMOGPWPRAUKXKS-CYBMUJFWSA-N 0 3 298.390 2.333 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)C3(CC)CCCC3)C[C@@H]2C1 ZINC001088156992 805953952 /nfs/dbraw/zinc/95/39/52/805953952.db2.gz QRGDNLMWIUQLSY-CVEARBPZSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](C)c3ccccc3)C[C@@H]2C1 ZINC001088175749 805964728 /nfs/dbraw/zinc/96/47/28/805964728.db2.gz KNAOPBOMCKLQTP-NXHRZFHOSA-N 0 3 296.414 2.204 20 30 CEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)CSC)C1 ZINC001088258144 806053354 /nfs/dbraw/zinc/05/33/54/806053354.db2.gz BVIXQCBWOXXYQJ-LBPRGKRZSA-N 0 3 290.860 2.463 20 30 CEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3ncoc3C)C2)C1 ZINC001040103795 806063096 /nfs/dbraw/zinc/06/30/96/806063096.db2.gz GMECPPCSYPPVKF-MRXNPFEDSA-N 0 3 289.379 2.097 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)OCC(C)C ZINC001271969057 806168158 /nfs/dbraw/zinc/16/81/58/806168158.db2.gz AMBOUADLIOJMQA-CQSZACIVSA-N 0 3 270.417 2.014 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1nc(CC)oc1C ZINC001168128845 806249803 /nfs/dbraw/zinc/24/98/03/806249803.db2.gz MMUJROOHCIOVTI-UHFFFAOYSA-N 0 3 285.775 2.007 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H]2CCCCO2)[C@H]1C ZINC001088517244 806341573 /nfs/dbraw/zinc/34/15/73/806341573.db2.gz CJBCAZAYHFWKAZ-ILXRZTDVSA-N 0 3 280.412 2.101 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)c1ccn(C(C)C)c1C ZINC001272093533 806509040 /nfs/dbraw/zinc/50/90/40/806509040.db2.gz SINNWNPDJHBVQY-UHFFFAOYSA-N 0 3 289.423 2.405 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)C2CCC2)[C@H]1C ZINC001088653838 806581483 /nfs/dbraw/zinc/58/14/83/806581483.db2.gz KQLFRPINWLSVQP-SCRDCRAPSA-N 0 3 250.386 2.188 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C[C@H]2C=CCCC2)[C@H]1C ZINC001088656397 806583881 /nfs/dbraw/zinc/58/38/81/806583881.db2.gz QKGHGRLUSCDZNB-ILXRZTDVSA-N 0 3 262.397 2.498 20 30 CEEDHN C=C(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001142517876 806612584 /nfs/dbraw/zinc/61/25/84/806612584.db2.gz DMVFNEMWQAPBSQ-HNNXBMFYSA-N 0 3 258.365 2.343 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3ncccc3o2)[C@H]1C ZINC001088753852 806697770 /nfs/dbraw/zinc/69/77/70/806697770.db2.gz RFGMJYNLSHMVHT-OLZOCXBDSA-N 0 3 297.358 2.044 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccn4ccccc34)[C@@H]2C1 ZINC001076026896 806797820 /nfs/dbraw/zinc/79/78/20/806797820.db2.gz XPGYCKPHIQFTMI-WMLDXEAASA-N 0 3 295.386 2.272 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cc[nH]c3C(C)C)[C@@H]2C1 ZINC001076158859 806816625 /nfs/dbraw/zinc/81/66/25/806816625.db2.gz GZIURMYHCKYXKW-DZGCQCFKSA-N 0 3 287.407 2.470 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)Cc3ccco3)[C@@H]2C1 ZINC001076352303 806840526 /nfs/dbraw/zinc/84/05/26/806840526.db2.gz WFSKOWZCYUYFLL-IJEWVQPXSA-N 0 3 288.391 2.177 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc4c([nH]3)CCC4)[C@@H]2C1 ZINC001076447198 806850563 /nfs/dbraw/zinc/85/05/63/806850563.db2.gz VUNFHEXVXVTVRF-WMLDXEAASA-N 0 3 299.418 2.226 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCc3cccs3)[C@@H]2C1 ZINC001076553096 806857579 /nfs/dbraw/zinc/85/75/79/806857579.db2.gz MEOVHXHOXFJRKS-DZGCQCFKSA-N 0 3 290.432 2.399 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C3(CF)CC3)C2)C1 ZINC001040388740 806914965 /nfs/dbraw/zinc/91/49/65/806914965.db2.gz PHMTWDSLXSHSCK-INIZCTEOSA-N 0 3 292.398 2.074 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1nc(Cl)sc1C ZINC001266296979 802403153 /nfs/dbraw/zinc/40/31/53/802403153.db2.gz FRQZXZAMZGIVSK-UHFFFAOYSA-N 0 3 287.816 2.343 20 30 CEEDHN C#CCCN(C)CCNC(=O)c1cc(C)cc(Cl)c1 ZINC001266297989 802406967 /nfs/dbraw/zinc/40/69/67/802406967.db2.gz WGMCEWWBDHAAFJ-UHFFFAOYSA-N 0 3 278.783 2.333 20 30 CEEDHN CC(=O)N1CCC[C@@H](CN(CCC#N)C2CCCC2)C1 ZINC001208965279 802443356 /nfs/dbraw/zinc/44/33/56/802443356.db2.gz JGWHKORLQSQOTI-OAHLLOKOSA-N 0 3 277.412 2.403 20 30 CEEDHN C#CCCN(C)CCNC(=O)C1(CCc2ccccc2)CC1 ZINC001266368111 802498644 /nfs/dbraw/zinc/49/86/44/802498644.db2.gz RMGXLSDNEQNPRD-UHFFFAOYSA-N 0 3 298.430 2.471 20 30 CEEDHN C=CCN(CC)CCNC(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001266420371 802552314 /nfs/dbraw/zinc/55/23/14/802552314.db2.gz IYNBIGJELQYBJV-UHFFFAOYSA-N 0 3 298.390 2.314 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)Cc2ccco2)C1 ZINC001034454361 809612240 /nfs/dbraw/zinc/61/22/40/809612240.db2.gz TYNQRRTVHXUGAW-CQSZACIVSA-N 0 3 276.380 2.369 20 30 CEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OC ZINC001266478391 802623874 /nfs/dbraw/zinc/62/38/74/802623874.db2.gz MHAZUCGAIPUOBR-LJISPDSOSA-N 0 3 280.412 2.051 20 30 CEEDHN C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001034592945 809639676 /nfs/dbraw/zinc/63/96/76/809639676.db2.gz GUFGAXOVPPNZOS-JOCQHMNTSA-N 0 3 274.364 2.209 20 30 CEEDHN C=CCCC(=O)N1CC[C@H](NCc2cncc(C)c2)C1 ZINC001266514661 802664207 /nfs/dbraw/zinc/66/42/07/802664207.db2.gz FHMHMTKWSPZRHN-HNNXBMFYSA-N 0 3 273.380 2.047 20 30 CEEDHN C#CCN(CCC)CCNC(=O)CC1(C(F)(F)F)CC1 ZINC001266562800 802720342 /nfs/dbraw/zinc/72/03/42/802720342.db2.gz OVDPTYVQNSAERF-UHFFFAOYSA-N 0 3 290.329 2.180 20 30 CEEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2c(C)nsc2C)C1 ZINC001266580854 802739536 /nfs/dbraw/zinc/73/95/36/802739536.db2.gz JTHVHVQSHNPZPA-JOCQHMNTSA-N 0 3 293.436 2.463 20 30 CEEDHN C=C(C)CN(CCNC(=O)c1ncccc1CC)C1CC1 ZINC001266600195 802757146 /nfs/dbraw/zinc/75/71/46/802757146.db2.gz MRMFRJSQTIITPH-UHFFFAOYSA-N 0 3 287.407 2.414 20 30 CEEDHN C=CCN(CCNC(=O)c1c(C)nsc1C)C1CC1 ZINC001266622275 802790429 /nfs/dbraw/zinc/79/04/29/802790429.db2.gz WVQVEFDLEUJUPW-UHFFFAOYSA-N 0 3 279.409 2.140 20 30 CEEDHN CC#CCNCCN(C)C(=O)[C@@H](CC)OC1CCCCC1 ZINC001266699832 802849391 /nfs/dbraw/zinc/84/93/91/802849391.db2.gz QBDJMIOEPRHJHF-MRXNPFEDSA-N 0 3 294.439 2.186 20 30 CEEDHN C#CCNCCN(C)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001266701997 802850821 /nfs/dbraw/zinc/85/08/21/802850821.db2.gz LOWBXPBIUWIWJS-CVEARBPZSA-N 0 3 284.403 2.107 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cc(C2CC2)no1 ZINC001167462306 802871130 /nfs/dbraw/zinc/87/11/30/802871130.db2.gz MSWDVIKURYXRPH-UHFFFAOYSA-N 0 3 283.759 2.014 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3CCCC3)C[C@H]21 ZINC001041886604 802911445 /nfs/dbraw/zinc/91/14/45/802911445.db2.gz ZBMUYFPICMMLHN-UKRRQHHQSA-N 0 3 262.397 2.285 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cnccc1C)C2 ZINC001097249064 812348977 /nfs/dbraw/zinc/34/89/77/812348977.db2.gz LNCVRMSNDDDOME-ZACQAIPSSA-N 0 3 299.418 2.230 20 30 CEEDHN CC(C)=CCN1CCCC[C@H]1CNC(=O)[C@H](C)C#N ZINC001266837392 802933998 /nfs/dbraw/zinc/93/39/98/802933998.db2.gz OKHRRBREXKQXRH-KGLIPLIRSA-N 0 3 263.385 2.083 20 30 CEEDHN C=CCN1CCCC[C@H]1CNC(=O)CC1(C)CC1 ZINC001266849512 802940102 /nfs/dbraw/zinc/94/01/02/802940102.db2.gz MSHWXEDNNYRKKE-ZDUSSCGKSA-N 0 3 250.386 2.333 20 30 CEEDHN N#Cc1csc(CN[C@@H](C2CC2)[C@H]2CCCOC2)n1 ZINC000723951201 802971953 /nfs/dbraw/zinc/97/19/53/802971953.db2.gz ZZUGTALBVZWPNK-FZMZJTMJSA-N 0 3 277.393 2.310 20 30 CEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C2(C)CCC2)C1 ZINC001266893739 802974543 /nfs/dbraw/zinc/97/45/43/802974543.db2.gz DINJZBGRGXDSDB-KBPBESRZSA-N 0 3 262.397 2.027 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NCCNCc1cnccc1C ZINC001132301941 812821250 /nfs/dbraw/zinc/82/12/50/812821250.db2.gz IREKLLMNZNPZHB-UHFFFAOYSA-N 0 3 275.396 2.198 20 30 CEEDHN C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001133723771 813143687 /nfs/dbraw/zinc/14/36/87/813143687.db2.gz YDMFXDPZYPHLTO-VXGBXAGGSA-N 0 3 262.353 2.065 20 30 CEEDHN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nccnc1C ZINC001133884380 813168802 /nfs/dbraw/zinc/16/88/02/813168802.db2.gz OOYUHHFXDZFFEF-OLZOCXBDSA-N 0 3 290.411 2.124 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)COCc1ccc(C)cc1 ZINC001267199197 803224748 /nfs/dbraw/zinc/22/47/48/803224748.db2.gz LFIOWAFBTRGKAC-UHFFFAOYSA-N 0 3 290.407 2.136 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NCCN(C)C[C@@H]1CC[C@@H](C)O1 ZINC001267210470 803235089 /nfs/dbraw/zinc/23/50/89/803235089.db2.gz HRQWLRYUNWYZFR-KGLIPLIRSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccco1 ZINC001267278034 803324538 /nfs/dbraw/zinc/32/45/38/803324538.db2.gz DXEFYCWWNKGSDN-UONOGXRCSA-N 0 3 276.380 2.225 20 30 CEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)[C@H](C)C(C)C ZINC001267279189 803325479 /nfs/dbraw/zinc/32/54/79/803325479.db2.gz ZFTHFVNGTHYPJN-HUUCEWRRSA-N 0 3 282.428 2.062 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@@H](C)OCCC(C)C ZINC001267283123 803328749 /nfs/dbraw/zinc/32/87/49/803328749.db2.gz IJWWXNBECXWDCL-HZPDHXFCSA-N 0 3 294.439 2.042 20 30 CEEDHN C#CCN(CCC)CCNC(=O)C[C@@H]1CCC[C@@H](OC)C1 ZINC001267314020 803358912 /nfs/dbraw/zinc/35/89/12/803358912.db2.gz FWRRAXRXNOEIES-HZPDHXFCSA-N 0 3 294.439 2.043 20 30 CEEDHN C#CCN(CCC)CCNC(=O)c1ccc2cc(C)cn2c1 ZINC001267314542 803359905 /nfs/dbraw/zinc/35/99/05/803359905.db2.gz QUEKYGCKOZQUMA-UHFFFAOYSA-N 0 3 297.402 2.323 20 30 CEEDHN C#CCN(CCC)CCNC(=O)C1(C)CCCCC1 ZINC001267317189 803361535 /nfs/dbraw/zinc/36/15/35/803361535.db2.gz QJGQCURTACNNNL-UHFFFAOYSA-N 0 3 264.413 2.418 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)C3CC3)C[C@]2(C)C1 ZINC001092306458 814701128 /nfs/dbraw/zinc/70/11/28/814701128.db2.gz XXGFVKWINITQBQ-KYJSFNMBSA-N 0 3 288.435 2.226 20 30 CEEDHN CC(C)C#CC(=O)N(C)CCNCc1ccc(F)c(F)c1 ZINC001267369710 803419160 /nfs/dbraw/zinc/41/91/60/803419160.db2.gz AVBSZCYCOLJYCR-UHFFFAOYSA-N 0 3 294.345 2.172 20 30 CEEDHN C=CCN[C@H](CNC(=O)[C@H](OC)C(C)C)c1ccccc1 ZINC001267369629 803419241 /nfs/dbraw/zinc/41/92/41/803419241.db2.gz FRNWCVLGMPLASC-HZPDHXFCSA-N 0 3 290.407 2.291 20 30 CEEDHN CC#CCNCCN(C)C(=O)C(C)(C)c1cccc(F)c1 ZINC001267426834 803464173 /nfs/dbraw/zinc/46/41/73/803464173.db2.gz BREYTSXIASXHTL-UHFFFAOYSA-N 0 3 290.382 2.175 20 30 CEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CCC1 ZINC001087267649 803489116 /nfs/dbraw/zinc/48/91/16/803489116.db2.gz FDLDFSITHWNAQH-OWCLPIDISA-N 0 3 288.435 2.415 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(CC)CC3)C[C@H]21 ZINC001042220761 803556527 /nfs/dbraw/zinc/55/65/27/803556527.db2.gz FJKNJTSRQNQFEH-UONOGXRCSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCC[C@H](C)N1CC(CNC(=O)C(=O)C(C)(C)C)C1 ZINC001267678221 803653815 /nfs/dbraw/zinc/65/38/15/803653815.db2.gz BXABXVXWJTWDJU-LBPRGKRZSA-N 0 3 280.412 2.004 20 30 CEEDHN C#CCCN1CC(CNC(=O)C(C)(C)c2ccccc2C)C1 ZINC001267700743 803664587 /nfs/dbraw/zinc/66/45/87/803664587.db2.gz RIXXHENETZLSJC-UHFFFAOYSA-N 0 3 298.430 2.344 20 30 CEEDHN CCCCCCCN1CC[C@H](NC(=O)c2nonc2C)C1 ZINC001267735412 803683680 /nfs/dbraw/zinc/68/36/80/803683680.db2.gz UPYNQYVWSNINQQ-ZDUSSCGKSA-N 0 3 294.399 2.153 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001267746870 803701279 /nfs/dbraw/zinc/70/12/79/803701279.db2.gz AKQLQIMAOZXNLX-CABCVRRESA-N 0 3 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ZINC001269279005 805111667 /nfs/dbraw/zinc/11/16/67/805111667.db2.gz TTYIFTIDDAUDRZ-KBPBESRZSA-N 0 3 250.386 2.355 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)C2CCC3(CC3)CC2)C1 ZINC001028694229 805120038 /nfs/dbraw/zinc/12/00/38/805120038.db2.gz JNBIBZGENGODNO-OAHLLOKOSA-N 0 3 288.435 2.418 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)Cc1csc(CC)n1 ZINC001269352553 805140190 /nfs/dbraw/zinc/14/01/90/805140190.db2.gz UZZIYRMZWCZMED-CYBMUJFWSA-N 0 3 293.436 2.015 20 30 CEEDHN CC#CCNC1(CNC(=O)CC2(C)CCCC2)CC1 ZINC001269407919 805156879 /nfs/dbraw/zinc/15/68/79/805156879.db2.gz UDSMIXQJKRYDOT-UHFFFAOYSA-N 0 3 262.397 2.219 20 30 CEEDHN C#CCNC1(CNC(=O)CCc2ccc(Cl)cc2)CC1 ZINC001269460043 805170423 /nfs/dbraw/zinc/17/04/23/805170423.db2.gz QEUGKBUGBSIHKJ-UHFFFAOYSA-N 0 3 290.794 2.144 20 30 CEEDHN C#CCNC1(CNC(=O)c2ccc3nc(C)sc3c2)CC1 ZINC001269518636 805187046 /nfs/dbraw/zinc/18/70/46/805187046.db2.gz IKPAVSXXHQCSGN-UHFFFAOYSA-N 0 3 299.399 2.090 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2csc(Cl)c2)C1 ZINC001028847305 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ZINC001168375802 807008540 /nfs/dbraw/zinc/00/85/40/807008540.db2.gz BXCWVRZWJZPAIV-SNVBAGLBSA-N 0 3 299.802 2.243 20 30 CEEDHN CC(C)(CNC(=O)[C@H](N)CCCCC#N)CC(F)F ZINC001119307218 815087231 /nfs/dbraw/zinc/08/72/31/815087231.db2.gz NOJRAHLEPFRAGK-SNVBAGLBSA-N 0 3 275.343 2.195 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)c2ccsc2)[C@H]1C ZINC001088851441 807209709 /nfs/dbraw/zinc/20/97/09/807209709.db2.gz HGYVTFMEEUPFRA-GUTXKFCHSA-N 0 3 290.432 2.454 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)[nH]c2C)[C@H]1C ZINC001088886097 807262414 /nfs/dbraw/zinc/26/24/14/807262414.db2.gz CWGYVZOMWILDSZ-OCCSQVGLSA-N 0 3 261.369 2.010 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ncoc2C(C)C)[C@H]1C ZINC001088961889 807295902 /nfs/dbraw/zinc/29/59/02/807295902.db2.gz BWZGAZUDAQXXPB-OLZOCXBDSA-N 0 3 289.379 2.014 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(C)s2)[C@H]1C ZINC001089058304 807324216 /nfs/dbraw/zinc/32/42/16/807324216.db2.gz KCFMCWPGUZMABO-OCCSQVGLSA-N 0 3 278.421 2.364 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1cccnc1 ZINC001121930404 807535446 /nfs/dbraw/zinc/53/54/46/807535446.db2.gz HFUAZUPHJYYOEN-CABCVRRESA-N 0 3 273.380 2.429 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2CCC2)CC(C)(C)C1 ZINC001089296184 807544856 /nfs/dbraw/zinc/54/48/56/807544856.db2.gz OVHYYALGPYUXMG-AWEZNQCLSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccoc2)CC(C)(C)C1 ZINC001089316049 807658811 /nfs/dbraw/zinc/65/88/11/807658811.db2.gz ACENUZDIFHVCFM-CQSZACIVSA-N 0 3 274.364 2.133 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccoc2)CC(C)(C)C1 ZINC001089316048 807659016 /nfs/dbraw/zinc/65/90/16/807659016.db2.gz ACENUZDIFHVCFM-AWEZNQCLSA-N 0 3 274.364 2.133 20 30 CEEDHN C#CC[C@@H](COC)NCc1cccc([N+](=O)[O-])c1C ZINC000716839763 815152913 /nfs/dbraw/zinc/15/29/13/815152913.db2.gz OFEABCIYNTVVNN-ZDUSSCGKSA-N 0 3 262.309 2.031 20 30 CEEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2cc[nH]c2)C1=O ZINC001272647754 807867844 /nfs/dbraw/zinc/86/78/44/807867844.db2.gz CKDATMBPFOQXGM-INIZCTEOSA-N 0 3 273.380 2.158 20 30 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C#CCCN1CC[C@@H]2CN(C(=O)C(C)(C)C(C)C)[C@@H]2C1 ZINC001084370977 810465109 /nfs/dbraw/zinc/46/51/09/810465109.db2.gz UBMAQXLVIJAEAI-HUUCEWRRSA-N 0 3 276.424 2.225 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)n1c2c(sc1=N)CNCC2 ZINC001172320205 815371353 /nfs/dbraw/zinc/37/13/53/815371353.db2.gz UEIINQDMRCGQOC-NSHDSACASA-N 0 3 298.415 2.350 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001016791581 810469239 /nfs/dbraw/zinc/46/92/39/810469239.db2.gz TZGDVEXWCAWRCU-FXUDXRNXSA-N 0 3 286.419 2.027 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C2CCC(=C)CC2)CC1 ZINC001016802142 810470078 /nfs/dbraw/zinc/47/00/78/810470078.db2.gz DSFZMBRFDYNTPA-INIZCTEOSA-N 0 3 286.419 2.337 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cc(C)[nH]c2C)CC1 ZINC001016856893 810474596 /nfs/dbraw/zinc/47/45/96/810474596.db2.gz XZVJHOGZPPLJGL-INIZCTEOSA-N 0 3 299.418 2.239 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)C(F)(F)F)[C@@H]2C1 ZINC001084581827 810481713 /nfs/dbraw/zinc/48/17/13/810481713.db2.gz WLUXHUKGBKODHA-QJPTWQEYSA-N 0 3 290.329 2.294 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3c(C)cccc3C)[C@@H]2C1 ZINC001084680089 810499190 /nfs/dbraw/zinc/49/91/90/810499190.db2.gz ZNCTUHBFKRJTKG-IAGOWNOFSA-N 0 3 296.414 2.473 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccc(OC)o3)[C@@H]2C1 ZINC001084736323 810510332 /nfs/dbraw/zinc/51/03/32/810510332.db2.gz HCTVMYFWQFWBGT-CHWSQXEVSA-N 0 3 290.363 2.011 20 30 CEEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3oncc3C)[C@@H]2C1 ZINC001084753931 810513073 /nfs/dbraw/zinc/51/30/73/810513073.db2.gz NZWWCIXSWZLOLX-ZIAGYGMSSA-N 0 3 289.379 2.096 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCOC1 ZINC001017460956 810524586 /nfs/dbraw/zinc/52/45/86/810524586.db2.gz GMEFEYILDCHNQR-HRCADAONSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncc(C)c1 ZINC001017765653 810551399 /nfs/dbraw/zinc/55/13/99/810551399.db2.gz KPGVJMCEGBKEQN-CALCHBBNSA-N 0 3 299.418 2.184 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CC(C)C ZINC001231061557 810582127 /nfs/dbraw/zinc/58/21/27/810582127.db2.gz KSKSPHZFFYKNOY-LSDHHAIUSA-N 0 3 282.428 2.156 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@@H](CO)c1ccccn1 ZINC001172297697 815388252 /nfs/dbraw/zinc/38/82/52/815388252.db2.gz RRJALSADQMOWGG-DYVFJYSZSA-N 0 3 281.359 2.207 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1C ZINC001085193613 810630774 /nfs/dbraw/zinc/63/07/74/810630774.db2.gz PSYWGAZBZYTUDQ-VXGBXAGGSA-N 0 3 296.802 2.101 20 30 CEEDHN C=C(C)CC[NH2+]CCN(CC)C(=O)c1ccccc1[O-] ZINC001273275672 810631225 /nfs/dbraw/zinc/63/12/25/810631225.db2.gz ZNRIZAIJFNKZLI-UHFFFAOYSA-N 0 3 276.380 2.410 20 30 CEEDHN CCOc1cc(CN[C@H](C)Cc2ccc(C#N)cc2)ncn1 ZINC001172299559 815387355 /nfs/dbraw/zinc/38/73/55/815387355.db2.gz LZJIONOOIJALDS-CYBMUJFWSA-N 0 3 296.374 2.468 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC001019697605 810730402 /nfs/dbraw/zinc/73/04/02/810730402.db2.gz DRYVVNJVSMSBEI-KUNBBXKYSA-N 0 3 286.419 2.027 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001019694317 810731004 /nfs/dbraw/zinc/73/10/04/810731004.db2.gz NYPNWIADKUFLTQ-INIZCTEOSA-N 0 3 284.403 2.421 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@@](C)(C(F)(F)F)C1 ZINC001122203329 815392176 /nfs/dbraw/zinc/39/21/76/815392176.db2.gz MUUXDCIIXNRXSV-ZYHUDNBSSA-N 0 3 278.318 2.471 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C[C@@H](C)c2ccccc2)C1 ZINC001019737172 810734510 /nfs/dbraw/zinc/73/45/10/810734510.db2.gz YJQZXTFVTLSXAJ-ZBFHGGJFSA-N 0 3 270.376 2.004 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccncc1 ZINC001085456770 810766590 /nfs/dbraw/zinc/76/65/90/810766590.db2.gz SFYUIJASTLOXGY-OAHLLOKOSA-N 0 3 273.380 2.194 20 30 CEEDHN CN(C)C1(C(=O)N(C)Cc2cccc(C#N)c2)CCC1 ZINC000119565553 810779651 /nfs/dbraw/zinc/77/96/51/810779651.db2.gz ORLGWAOBMQVURC-UHFFFAOYSA-N 0 3 271.364 2.001 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccncc1C ZINC001038234410 810811983 /nfs/dbraw/zinc/81/19/83/810811983.db2.gz LNTJRKFCBBIYMQ-CQSZACIVSA-N 0 3 273.380 2.160 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ncccc1C ZINC001085539226 810817001 /nfs/dbraw/zinc/81/70/01/810817001.db2.gz RBEJYBFDYRGLOI-AWEZNQCLSA-N 0 3 273.380 2.112 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001038408920 810835581 /nfs/dbraw/zinc/83/55/81/810835581.db2.gz KFKAALNQUWPRSA-ZIAGYGMSSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)C[C@H]1CCN1CC(C)C ZINC001085640616 810861357 /nfs/dbraw/zinc/86/13/57/810861357.db2.gz QASYKTNNOBKMGE-OAHLLOKOSA-N 0 3 289.423 2.476 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)C[C@H]1CCN1CCC ZINC001085640398 810862006 /nfs/dbraw/zinc/86/20/06/810862006.db2.gz KTYGCJHMFQCDPT-CQSZACIVSA-N 0 3 275.396 2.230 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCN2CCCC)cc1 ZINC001038581317 810867096 /nfs/dbraw/zinc/86/70/96/810867096.db2.gz HPEHTRPMAHXEEI-INIZCTEOSA-N 0 3 270.376 2.272 20 30 CEEDHN C=CC1CCN(C(=O)NC[C@H]2CCCCN2C)CC1 ZINC001122363734 815404918 /nfs/dbraw/zinc/40/49/18/815404918.db2.gz COSYWLBACLXONO-CQSZACIVSA-N 0 3 265.401 2.078 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ncccc1C ZINC001122380430 815407197 /nfs/dbraw/zinc/40/71/97/815407197.db2.gz MDPOUJNPPAHDFL-QWRGUYRKSA-N 0 3 267.760 2.037 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2n[nH]cc2c1 ZINC001085790056 810916235 /nfs/dbraw/zinc/91/62/35/810916235.db2.gz ZOPLXUIRROPISD-HNNXBMFYSA-N 0 3 298.390 2.285 20 30 CEEDHN C#Cc1cncc(C(=O)N(C)C[C@H]2CCN2CCC(=C)C)c1 ZINC001085810159 810923770 /nfs/dbraw/zinc/92/37/70/810923770.db2.gz WEFMYUGCNGPVOY-QGZVFWFLSA-N 0 3 297.402 2.175 20 30 CEEDHN C#Cc1cncc(C(=O)N(C)C[C@@H]2CCN2CC2CCC2)c1 ZINC001085810066 810925547 /nfs/dbraw/zinc/92/55/47/810925547.db2.gz TXVLJSWITHTZLA-KRWDZBQOSA-N 0 3 297.402 2.009 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cn(CC)cn1 ZINC001085929160 810970863 /nfs/dbraw/zinc/97/08/63/810970863.db2.gz PKPRTYUMOOSOGK-CQSZACIVSA-N 0 3 290.411 2.016 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cccn1CC ZINC001039016957 810971725 /nfs/dbraw/zinc/97/17/25/810971725.db2.gz CMHSUGYKXWECJQ-CQSZACIVSA-N 0 3 275.396 2.278 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001039067418 810980292 /nfs/dbraw/zinc/98/02/92/810980292.db2.gz NTYUWAKZTHNOMT-ZTYXSZCMSA-N 0 3 274.408 2.045 20 30 CEEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001039178011 810995613 /nfs/dbraw/zinc/99/56/13/810995613.db2.gz KPCKUWFZQOORGP-HUUCEWRRSA-N 0 3 294.414 2.461 20 30 CEEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001039178010 810996343 /nfs/dbraw/zinc/99/63/43/810996343.db2.gz KPCKUWFZQOORGP-GJZGRUSLSA-N 0 3 294.414 2.461 20 30 CEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)C=C2CCC2)C1 ZINC001039196661 810997817 /nfs/dbraw/zinc/99/78/17/810997817.db2.gz BGKFSRXSVGMQIA-IAGOWNOFSA-N 0 3 286.419 2.433 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(C)o2)C1 ZINC001086022989 811009629 /nfs/dbraw/zinc/00/96/29/811009629.db2.gz GBFRWFKOFBGXRM-TXEJJXNPSA-N 0 3 282.771 2.439 20 30 CEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC1CC1 ZINC001039344535 811014603 /nfs/dbraw/zinc/01/46/03/811014603.db2.gz RLEMWRRPQJUDKN-CABCVRRESA-N 0 3 262.397 2.428 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cnc(C)s2)C1 ZINC001086042335 811015063 /nfs/dbraw/zinc/01/50/63/811015063.db2.gz FXZCPLUMTLDGTF-PHIMTYICSA-N 0 3 299.827 2.302 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc[nH]c2C)C1 ZINC001086056999 811018133 /nfs/dbraw/zinc/01/81/33/811018133.db2.gz ROSBRUQWDQCNLJ-TXEJJXNPSA-N 0 3 281.787 2.174 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccco1 ZINC001039456606 811034249 /nfs/dbraw/zinc/03/42/49/811034249.db2.gz FCCNERSDRCNPAO-CABCVRRESA-N 0 3 288.391 2.464 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001039461745 811035460 /nfs/dbraw/zinc/03/54/60/811035460.db2.gz HLSOATAQFWWWAF-KGLIPLIRSA-N 0 3 262.397 2.121 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](F)C2)C1 ZINC001086179236 811053576 /nfs/dbraw/zinc/05/35/76/811053576.db2.gz GOVDHNKDFAIATF-NDBYEHHHSA-N 0 3 288.794 2.362 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001086202949 811058829 /nfs/dbraw/zinc/05/88/29/811058829.db2.gz YYJIMZMLQAMIIR-FVCCEPFGSA-N 0 3 270.804 2.269 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC001040075048 811084798 /nfs/dbraw/zinc/08/47/98/811084798.db2.gz TYSGCIRATDWSSI-QGZVFWFLSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](CC)SC)C2)C1 ZINC001040165401 811092850 /nfs/dbraw/zinc/09/28/50/811092850.db2.gz LNRRSXKKZMYXMM-GDBMZVCRSA-N 0 3 294.464 2.076 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C(C)=C3CCC3)C2)C1 ZINC001040194123 811096446 /nfs/dbraw/zinc/09/64/46/811096446.db2.gz GCRSFRHYKZJUEB-SFHVURJKSA-N 0 3 286.419 2.435 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc(C)nc2)C1 ZINC001086308527 811099172 /nfs/dbraw/zinc/09/91/72/811099172.db2.gz DIBSOHZWLDKQTO-MQMHXKEQSA-N 0 3 293.798 2.241 20 30 CEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3ccsn3)C2)C1 ZINC001040259509 811100069 /nfs/dbraw/zinc/10/00/69/811100069.db2.gz XEAIKHFIBLNLEG-OAHLLOKOSA-N 0 3 291.420 2.257 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C3(C4CC4)CC3)C2)C1 ZINC001041389149 811163727 /nfs/dbraw/zinc/16/37/27/811163727.db2.gz CSYCWZGJGZMWGT-QGZVFWFLSA-N 0 3 286.419 2.124 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@]3(C)C=CCC3)C2)C1 ZINC001041556790 811175984 /nfs/dbraw/zinc/17/59/84/811175984.db2.gz CFPJMXSWIWNOKZ-ROUUACIJSA-N 0 3 286.419 2.290 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@H](C)C(C)(F)F)C2)C1 ZINC001041687022 811186601 /nfs/dbraw/zinc/18/66/01/811186601.db2.gz PMZKLMPJHCEFQX-BBRMVZONSA-N 0 3 298.377 2.225 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3cccn3C(C)C)C2)C1 ZINC001041835874 811197802 /nfs/dbraw/zinc/19/78/02/811197802.db2.gz WYVGBJVJIFMKAQ-GOSISDBHSA-N 0 3 299.418 2.240 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3cc(C)on3)C[C@H]21 ZINC001041914465 811214965 /nfs/dbraw/zinc/21/49/65/811214965.db2.gz BVSVSVGIZKIHHH-UKRRQHHQSA-N 0 3 289.379 2.096 20 30 CEEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001122605746 815430443 /nfs/dbraw/zinc/43/04/43/815430443.db2.gz 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/nfs/dbraw/zinc/84/56/74/812845674.db2.gz OBJFCQUHCSFXFY-UHFFFAOYSA-N 0 3 296.414 2.420 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CC[C@@H](C)C3)C2)CC1 ZINC001050688981 812851088 /nfs/dbraw/zinc/85/10/88/812851088.db2.gz FDBLRGGPLIIMKM-CVEARBPZSA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CCCn2cccc2)CC[C@H]1C ZINC001132512996 812875050 /nfs/dbraw/zinc/87/50/50/812875050.db2.gz MXCJWGANOKYWIJ-HZPDHXFCSA-N 0 3 289.423 2.423 20 30 CEEDHN C#CCN1CCC[C@@H](N(Cc2ccccn2)C(=O)CC)CC1 ZINC001132551287 812886902 /nfs/dbraw/zinc/88/69/02/812886902.db2.gz DFRKOLQZSVOCKY-QGZVFWFLSA-N 0 3 299.418 2.308 20 30 CEEDHN C=CCC[C@@H](C)[NH2+]CCNC(=O)c1ccccc1[O-] ZINC001123782463 815557649 /nfs/dbraw/zinc/55/76/49/815557649.db2.gz NCRHTGLUHBPIAI-GFCCVEGCSA-N 0 3 262.353 2.066 20 30 CEEDHN C=C[C@H](CC)CC(=O)NCCNCc1cccc(C#N)c1 ZINC001132667619 812921058 /nfs/dbraw/zinc/92/10/58/812921058.db2.gz OVYABIMVHWZNEZ-CQSZACIVSA-N 0 3 285.391 2.366 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)c2ccc(F)cc2)CC1 ZINC001052137583 812931012 /nfs/dbraw/zinc/93/10/12/812931012.db2.gz DLHGBKDSQVLFME-INIZCTEOSA-N 0 3 288.366 2.433 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(F)cc2)CC1 ZINC001052158084 812938646 /nfs/dbraw/zinc/93/86/46/812938646.db2.gz GQWZTKHHXXFUNZ-OAHLLOKOSA-N 0 3 274.339 2.043 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2oc(C)cc2C)CC1 ZINC001052276700 812962603 /nfs/dbraw/zinc/96/26/03/812962603.db2.gz KFXZIMYVPMTFHN-CQSZACIVSA-N 0 3 274.364 2.114 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2cccc(F)c2C)CC1 ZINC001052399866 812986597 /nfs/dbraw/zinc/98/65/97/812986597.db2.gz KAPLXWBTDSZFPT-CQSZACIVSA-N 0 3 288.366 2.352 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC001052429550 812990333 /nfs/dbraw/zinc/99/03/33/812990333.db2.gz ACYFLPRMOFWEHB-UONOGXRCSA-N 0 3 298.377 2.416 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)C[C@@H]2CC=CCC2)CC1 ZINC001052624637 813016288 /nfs/dbraw/zinc/01/62/88/813016288.db2.gz MPJNMTZQWNMBHY-CVEARBPZSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC001052656601 813021943 /nfs/dbraw/zinc/02/19/43/813021943.db2.gz NWJBTDFRIDMPOT-KBPBESRZSA-N 0 3 298.377 2.416 20 30 CEEDHN C=CCN1CC[C@]2(CCCN(Cc3ccnc(C)c3)C2)C1=O ZINC001137409842 813037584 /nfs/dbraw/zinc/03/75/84/813037584.db2.gz JOLFBUFMJNVIQJ-SFHVURJKSA-N 0 3 299.418 2.391 20 30 CEEDHN CCOC(=O)[C@@H]1CCC[C@@H](N2CCC(C#N)CC2)C1 ZINC001255356739 813076992 /nfs/dbraw/zinc/07/69/92/813076992.db2.gz KUFXMYAHAIBSST-ZIAGYGMSSA-N 0 3 264.369 2.344 20 30 CEEDHN C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001133722924 813142798 /nfs/dbraw/zinc/14/27/98/813142798.db2.gz OIKPYOMJWNFVMS-CHWSQXEVSA-N 0 3 276.380 2.455 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CN(CC(=C)C)CCCO1 ZINC001150141271 815598232 /nfs/dbraw/zinc/59/82/32/815598232.db2.gz ZCKFROBWNZDHGN-CVEARBPZSA-N 0 3 294.439 2.372 20 30 CEEDHN C#CCNCCNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001134079889 813207845 /nfs/dbraw/zinc/20/78/45/813207845.db2.gz GWBQEUSGQQZMAW-IAGOWNOFSA-N 0 3 284.403 2.299 20 30 CEEDHN C=CCC(C)(C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001134410194 813266393 /nfs/dbraw/zinc/26/63/93/813266393.db2.gz HSFMKFXSRKCECI-UHFFFAOYSA-N 0 3 285.391 2.366 20 30 CEEDHN C=CCC(C)(C)C(=O)NCCNCc1cncc(C)c1 ZINC001134410499 813267459 /nfs/dbraw/zinc/26/74/59/813267459.db2.gz UKHXEJVAQVOJIQ-UHFFFAOYSA-N 0 3 275.396 2.198 20 30 CEEDHN CC#CCNCCNC(=O)C[C@H](C)c1ccccc1C ZINC001134727483 813316059 /nfs/dbraw/zinc/31/60/59/813316059.db2.gz KZXVCPFNXFOHIL-HNNXBMFYSA-N 0 3 272.392 2.218 20 30 CEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C(C)(C)F)C[C@H](C)O2 ZINC001071127308 813323845 /nfs/dbraw/zinc/32/38/45/813323845.db2.gz LQXKUTGSILMTAW-XJKSGUPXSA-N 0 3 298.402 2.002 20 30 CEEDHN C#CCNC(=O)CCN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000815046916 813334203 /nfs/dbraw/zinc/33/42/03/813334203.db2.gz CLSHGGANSUGVRW-OAHLLOKOSA-N 0 3 292.329 2.241 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)C2CCC2)CC[C@H]1C ZINC001071303400 813356011 /nfs/dbraw/zinc/35/60/11/813356011.db2.gz XOLMXHAZRRMKCO-OCCSQVGLSA-N 0 3 250.386 2.332 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccncc2)CC[C@H]1C ZINC001071312184 813359466 /nfs/dbraw/zinc/35/94/66/813359466.db2.gz HFOCVZOKNMYBKJ-HIFRSBDPSA-N 0 3 273.380 2.240 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)C2CC=CC2)CC[C@H]1C ZINC001071403757 813393017 /nfs/dbraw/zinc/39/30/17/813393017.db2.gz CRQSOLNWVUHYNZ-UKRRQHHQSA-N 0 3 262.397 2.498 20 30 CEEDHN CC#CCNCCNC(=O)[C@H](C)c1ccc(CC)cc1 ZINC001135369676 813416699 /nfs/dbraw/zinc/41/66/99/813416699.db2.gz YPWLVCSCHJUZJN-CQSZACIVSA-N 0 3 272.392 2.082 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071501170 813424004 /nfs/dbraw/zinc/42/40/04/813424004.db2.gz KKOOPQVGLNONAP-XJKSGUPXSA-N 0 3 274.408 2.479 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccncc2CC)CC[C@H]1C ZINC001071622908 813454090 /nfs/dbraw/zinc/45/40/90/813454090.db2.gz OKCOWFCRBDDGCI-ZBFHGGJFSA-N 0 3 299.418 2.250 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)c(C)cn2)CC[C@@H]1C ZINC001071701048 813466938 /nfs/dbraw/zinc/46/69/38/813466938.db2.gz BHJIMGKKUDDDLZ-HOTGVXAUSA-N 0 3 299.418 2.304 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(Cl)[nH]2)CC[C@H]1C ZINC001071804263 813485792 /nfs/dbraw/zinc/48/57/92/813485792.db2.gz ZIDBWZFMBLLENU-NEPJUHHUSA-N 0 3 293.798 2.274 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)N(CC)C2)C1 ZINC001071803742 813486420 /nfs/dbraw/zinc/48/64/20/813486420.db2.gz QOVWNZMGIZHTTP-STQMWFEESA-N 0 3 250.386 2.332 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CCC[C@H]3CC)C2)C1 ZINC001072957455 813700892 /nfs/dbraw/zinc/70/08/92/813700892.db2.gz YHZTYGHLOUZHMN-HZPDHXFCSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1csc2c1CCCC2 ZINC000399797198 813719209 /nfs/dbraw/zinc/71/92/09/813719209.db2.gz FANQNZZDRCUABH-UHFFFAOYSA-N 0 3 290.432 2.312 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3C[C@]3(C)CC)C2)C1 ZINC001073091777 813723920 /nfs/dbraw/zinc/72/39/20/813723920.db2.gz ONEXKAUEROBOGZ-ZFWWWQNUSA-N 0 3 262.397 2.143 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3C[C@]3(C)C(C)C)C2)C1 ZINC001073094276 813725701 /nfs/dbraw/zinc/72/57/01/813725701.db2.gz NVOKXLFHDVKASD-GOEBONIOSA-N 0 3 276.424 2.389 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(C)o2)C1 ZINC001090914759 813887732 /nfs/dbraw/zinc/88/77/32/813887732.db2.gz GBFRWFKOFBGXRM-UHFFFAOYSA-N 0 3 282.771 2.439 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]cc1C)C2 ZINC001098390691 813921979 /nfs/dbraw/zinc/92/19/79/813921979.db2.gz ZXCIOSQDKLWAHA-YUELXQCFSA-N 0 3 273.380 2.234 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C(C)=C2CCCC2)C1 ZINC001098784282 813950400 /nfs/dbraw/zinc/95/04/00/813950400.db2.gz LPFAUMQISPSKMP-WMZOPIPTSA-N 0 3 286.419 2.481 20 30 CEEDHN N#Cc1cncc(CN2CC[C@@H](O)[C@@H]2Cc2ccccc2)c1 ZINC001144080486 813951253 /nfs/dbraw/zinc/95/12/53/813951253.db2.gz NRHPMQDZPDIEHL-ZWKOTPCHSA-N 0 3 293.370 2.131 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnccc2C)C1 ZINC001090972707 813953853 /nfs/dbraw/zinc/95/38/53/813953853.db2.gz NKCIRFDVELPOGJ-UHFFFAOYSA-N 0 3 293.798 2.241 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(CC)n2)C1 ZINC001098877936 813960708 /nfs/dbraw/zinc/96/07/08/813960708.db2.gz XUORQEFCLFPWIP-KSSFIOAISA-N 0 3 299.418 2.414 20 30 CEEDHN CN(CCc1cccnc1)Cc1ccc(C#N)cn1 ZINC001144162978 813971994 /nfs/dbraw/zinc/97/19/94/813971994.db2.gz GPKRHPHBGYJVFI-UHFFFAOYSA-N 0 3 252.321 2.023 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CCOC ZINC001099344785 814001468 /nfs/dbraw/zinc/00/14/68/814001468.db2.gz PPDQVDNQFWDRDV-GJZGRUSLSA-N 0 3 296.455 2.452 20 30 CEEDHN COc1ccc(CN[C@@H](C)Cc2cccc(C#N)c2)nn1 ZINC001171189348 814076596 /nfs/dbraw/zinc/07/65/96/814076596.db2.gz DFVYMJVJENSBJS-LBPRGKRZSA-N 0 3 282.347 2.078 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)n2cccc2)C1 ZINC001100253553 814084705 /nfs/dbraw/zinc/08/47/05/814084705.db2.gz KHSLZPVPTPGPNT-HSBZDZAISA-N 0 3 295.814 2.286 20 30 CEEDHN C#Cc1ccc(CN2CC[C@H](Oc3cnccn3)C2)cc1 ZINC001144581485 814117156 /nfs/dbraw/zinc/11/71/56/814117156.db2.gz SROFCVDYTQUJKD-INIZCTEOSA-N 0 3 279.343 2.111 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)C(F)(F)F)C1 ZINC001100580264 814152718 /nfs/dbraw/zinc/15/27/18/814152718.db2.gz IDZUPCSVSYSAKA-IDKOKCKLSA-N 0 3 298.736 2.422 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)N1CC[C@@]12CCOC2 ZINC001171232584 814202623 /nfs/dbraw/zinc/20/26/23/814202623.db2.gz UGQBPHVTMRPKSF-CJNGLKHVSA-N 0 3 256.349 2.354 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001091273874 814206345 /nfs/dbraw/zinc/20/63/45/814206345.db2.gz BKOOJKBLHBYQFM-AKUTZHFWSA-N 0 3 282.815 2.269 20 30 CEEDHN C=CCCCC(=O)N1C[C@H]2CN(CC#CC)C[C@@]2(C)C1 ZINC001101346814 814250135 /nfs/dbraw/zinc/25/01/35/814250135.db2.gz IRZKSIXKJWTGIB-WBVHZDCISA-N 0 3 274.408 2.146 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CCCCC)C1 ZINC001149215376 814255928 /nfs/dbraw/zinc/25/59/28/814255928.db2.gz SRMSTVZXFMCQDW-OAHLLOKOSA-N 0 3 282.428 2.350 20 30 CEEDHN C=CCCC1(C(=O)NC[C@@H]2CN(CCF)C[C@H]2C)CC1 ZINC001102326073 814379439 /nfs/dbraw/zinc/37/94/39/814379439.db2.gz HSYFKOBLQOEMGG-ZIAGYGMSSA-N 0 3 282.403 2.386 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)/C=C/C(C)(C)C)C2)C1 ZINC001147240182 814412233 /nfs/dbraw/zinc/41/22/33/814412233.db2.gz IMHMIKOLHKAJCU-VOTSOKGWSA-N 0 3 262.397 2.309 20 30 CEEDHN C#CCNCCNC(=O)C[C@@H](c1ccccc1)C(C)C ZINC001147429080 814436781 /nfs/dbraw/zinc/43/67/81/814436781.db2.gz OJYUSISKXDYSEC-MRXNPFEDSA-N 0 3 272.392 2.155 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)CC(C)(C)C=C)C2)C1 ZINC001147630704 814471260 /nfs/dbraw/zinc/47/12/60/814471260.db2.gz CERDXHZPRLOABD-UHFFFAOYSA-N 0 3 262.397 2.309 20 30 CEEDHN C#CCNCCNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001148033453 814522953 /nfs/dbraw/zinc/52/29/53/814522953.db2.gz PBJSUQVYIIGMQJ-UHFFFAOYSA-N 0 3 270.332 2.002 20 30 CEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cocn2)C[C@H]1C ZINC001103991536 814560805 /nfs/dbraw/zinc/56/08/05/814560805.db2.gz KWBZJUUAZNHWLU-ZYHUDNBSSA-N 0 3 297.786 2.115 20 30 CEEDHN CCCCCCC[C@H](C)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000697279837 814646211 /nfs/dbraw/zinc/64/62/11/814646211.db2.gz WIUGOTLIKHSNSP-MELADBBJSA-N 0 3 291.457 2.137 20 30 CEEDHN C=C(Cl)CNC1(CNC(=O)[C@H](C)C#N)CCCCC1 ZINC001115452369 814709265 /nfs/dbraw/zinc/70/92/65/814709265.db2.gz YOTXAIISOIEMQO-LLVKDONJSA-N 0 3 283.803 2.307 20 30 CEEDHN CN1CCN(C(=O)c2ccc(C#N)cc2)CCC1(C)C ZINC000712620696 814758152 /nfs/dbraw/zinc/75/81/52/814758152.db2.gz AYYOLWJGOJALAX-UHFFFAOYSA-N 0 3 271.364 2.115 20 30 CEEDHN C=CCO[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC001116541524 814862376 /nfs/dbraw/zinc/86/23/76/814862376.db2.gz HFXHMPIHEXITIF-MRXNPFEDSA-N 0 3 272.348 2.366 20 30 CEEDHN C=CCO[C@@H]1CCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC001116575776 814866727 /nfs/dbraw/zinc/86/67/27/814866727.db2.gz JTDFSHGHACATHW-CYBMUJFWSA-N 0 3 263.385 2.484 20 30 CEEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC001116642760 814871872 /nfs/dbraw/zinc/87/18/72/814871872.db2.gz ALGNVAHAWSWJKS-JSGCOSHPSA-N 0 3 260.337 2.441 20 30 CEEDHN C[C@H](NCC[C@@H]1CCCS1(=O)=O)c1cccc(C#N)c1 ZINC000714342177 814895521 /nfs/dbraw/zinc/89/55/21/814895521.db2.gz MSBTXXTURABASY-WFASDCNBSA-N 0 3 292.404 2.176 20 30 CEEDHN C=CCOC1CCC(NCc2cc(C)n(C)n2)CC1 ZINC001173312443 815665133 /nfs/dbraw/zinc/66/51/33/815665133.db2.gz GTMZCSGZKSAWFR-UHFFFAOYSA-N 0 3 263.385 2.332 20 30 CEEDHN CCOC(=O)C[C@@H]1CC[C@H](N(CC)CCC#N)C1 ZINC001173653636 815793099 /nfs/dbraw/zinc/79/30/99/815793099.db2.gz OZMDRTIBCHCAKQ-OLZOCXBDSA-N 0 3 252.358 2.344 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@H](C(C)=O)C2)cc1 ZINC001138557320 815826987 /nfs/dbraw/zinc/82/69/87/815826987.db2.gz GVDBCCWFBDAFSO-INIZCTEOSA-N 0 3 271.360 2.500 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CCC3(CN(C)C3)C2)c1[O-] ZINC001138629531 815847914 /nfs/dbraw/zinc/84/79/14/815847914.db2.gz CCOVMVDCLFRVTB-UHFFFAOYSA-N 0 3 272.392 2.258 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CCC3(CN(C)C3)C2)c1[O-] ZINC001138629531 815847921 /nfs/dbraw/zinc/84/79/21/815847921.db2.gz CCOVMVDCLFRVTB-UHFFFAOYSA-N 0 3 272.392 2.258 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C1CC1)C2 ZINC001095275952 815875060 /nfs/dbraw/zinc/87/50/60/815875060.db2.gz UYVQMPGJZXOYEA-RZFFKMDDSA-N 0 3 262.397 2.330 20 30 CEEDHN C=CCOc1ccccc1CN1CCN(C)[C@H](C)C1 ZINC001139029658 815946716 /nfs/dbraw/zinc/94/67/16/815946716.db2.gz FRSWNGCMWVUYNZ-CQSZACIVSA-N 0 3 260.381 2.387 20 30 CEEDHN Cc1cnccc1Nc1sc2c(c1C#N)CCN(C)C2 ZINC001174536022 816023913 /nfs/dbraw/zinc/02/39/13/816023913.db2.gz HNPVMACEPNVZAK-UHFFFAOYSA-N 0 3 284.388 2.477 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)C[C@H](C)[C@H]1CCCO1 ZINC001174620200 816051677 /nfs/dbraw/zinc/05/16/77/816051677.db2.gz IFLLYMOWLYSCKS-WCQYABFASA-N 0 3 288.819 2.040 20 30 CEEDHN CC(=O)N1CCC[C@@H](N(C)Cc2ccc(C)c(C#N)c2)C1 ZINC001139727791 816097570 /nfs/dbraw/zinc/09/75/70/816097570.db2.gz YNFCPWWDEGGKDW-QGZVFWFLSA-N 0 3 285.391 2.309 20 30 CEEDHN Cc1ccc([C@H](C)NC(=O)[C@@H](N)CCCC#N)s1 ZINC000691576775 816126975 /nfs/dbraw/zinc/12/69/75/816126975.db2.gz YVLICAMVJKAGBA-QWRGUYRKSA-N 0 3 265.382 2.255 20 30 CEEDHN CC(=O)NC1CCN(Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140112054 816192817 /nfs/dbraw/zinc/19/28/17/816192817.db2.gz PZWMVECMRDMJPO-UHFFFAOYSA-N 0 3 296.374 2.140 20 30 CEEDHN CC(=O)N(C)[C@H]1CCN(Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140117075 816193969 /nfs/dbraw/zinc/19/39/69/816193969.db2.gz LLLPPLJMLQLBPS-HNNXBMFYSA-N 0 3 296.374 2.092 20 30 CEEDHN COC[C@@]12CCC[C@@H]1CN(Cc1ccc(C#N)nc1)C2 ZINC001140543546 816283527 /nfs/dbraw/zinc/28/35/27/816283527.db2.gz PUFSJQJJQCHOEZ-ZBFHGGJFSA-N 0 3 271.364 2.202 20 30 CEEDHN C[Si](C)(CN1CCC[C@@H](C#N)C1)c1ccccc1 ZINC001176000171 816318945 /nfs/dbraw/zinc/31/89/45/816318945.db2.gz SSXQYUHFGDZNND-AWEZNQCLSA-N 0 3 258.441 2.377 20 30 CEEDHN C#C[C@H](C)NC[C@H](O)COc1ccc(Cl)cc1Cl ZINC000123471838 816621480 /nfs/dbraw/zinc/62/14/80/816621480.db2.gz BQAHVBRBBOEYPR-ONGXEEELSA-N 0 3 288.174 2.344 20 30 CEEDHN C#CCCCC(=O)N1CC[C@H](NCc2ncccc2C)[C@@H]1C ZINC001178599392 816770965 /nfs/dbraw/zinc/77/09/65/816770965.db2.gz CSTBABRKYULBPR-HOTGVXAUSA-N 0 3 299.418 2.273 20 30 CEEDHN C#CCC1(NC(=O)CN2CC[C@H](C)C2)CCCCC1 ZINC001178770081 816792902 /nfs/dbraw/zinc/79/29/02/816792902.db2.gz RCVQAJORZRUNDX-AWEZNQCLSA-N 0 3 262.397 2.171 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@@H](C)CC)C1 ZINC001149633057 816882841 /nfs/dbraw/zinc/88/28/41/816882841.db2.gz ZFXVRJLUIVUXFC-GJZGRUSLSA-N 0 3 282.428 2.206 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000336213390 365529117 /nfs/dbraw/zinc/52/91/17/365529117.db2.gz LFTNVLXVCOZULG-PBHICJAKSA-N 0 3 289.423 2.261 20 30 CEEDHN CC(C#N)C(=O)N1CCc2c(Br)cccc2C1 ZINC000336344604 365559951 /nfs/dbraw/zinc/55/99/51/365559951.db2.gz KYJQLRWPCBDZCL-VIFPVBQESA-N 0 3 293.164 2.493 20 30 CEEDHN C=CCC(CC=C)C(=O)NC1CCN(CC)CC1 ZINC000121465755 365571999 /nfs/dbraw/zinc/57/19/99/365571999.db2.gz QXCSNOQUOVDTPO-UHFFFAOYSA-N 0 3 250.386 2.355 20 30 CEEDHN N#Cc1cccnc1N1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000122909686 365632985 /nfs/dbraw/zinc/63/29/85/365632985.db2.gz ITEADCZQZFLLTD-HLLBOEOZSA-N 0 3 294.402 2.287 20 30 CEEDHN C=CCOc1ccc(CNC[C@]2(OC)CCOC2)cc1 ZINC000122995448 365634503 /nfs/dbraw/zinc/63/45/03/365634503.db2.gz VPNLMSSICVTBQE-MRXNPFEDSA-N 0 3 277.364 2.147 20 30 CEEDHN C=CCCCN[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621356344 349575724 /nfs/dbraw/zinc/57/57/24/349575724.db2.gz KADCRJWOLVVTQJ-CQSZACIVSA-N 0 3 265.378 2.212 20 30 CEEDHN CC(C)CN(C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000037108528 361896803 /nfs/dbraw/zinc/89/68/03/361896803.db2.gz GEKIJRDAOFAKDC-GFCCVEGCSA-N 0 3 259.353 2.473 20 30 CEEDHN C[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1cccnc1 ZINC000037889108 361959576 /nfs/dbraw/zinc/95/95/76/361959576.db2.gz NHVXMMGTRNZSJF-BLLLJJGKSA-N 0 3 267.332 2.337 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(C)CC1(N(C)C)CCC1 ZINC000337976820 214341404 /nfs/dbraw/zinc/34/14/04/214341404.db2.gz ASZUFYKFJNHFMS-UHFFFAOYSA-N 0 3 285.391 2.423 20 30 CEEDHN C=CCN1CCC(Nc2ncccc2C(=O)OCC)CC1 ZINC000273880181 192346957 /nfs/dbraw/zinc/34/69/57/192346957.db2.gz QTOJOCPPSURAES-UHFFFAOYSA-N 0 3 289.379 2.321 20 30 CEEDHN O=C(CCN1CCCOCC1)Nc1ccc2c(c1)OCO2 ZINC000329300988 539236936 /nfs/dbraw/zinc/23/69/36/539236936.db2.gz VONTVXBAVICMKD-UHFFFAOYSA-N 0 3 292.335 2.116 20 30 CEEDHN Cc1cccc(CN2CC[C@H](NC(=O)[C@@H](C)CC#N)C2)c1 ZINC000601852308 346917033 /nfs/dbraw/zinc/91/70/33/346917033.db2.gz MRPBOTXUDUVNAI-HOCLYGCPSA-N 0 3 285.391 2.235 20 30 CEEDHN CC(C#N)C(=O)NCC1([C@@H]2CCCCO2)CCC1 ZINC000601857733 346918365 /nfs/dbraw/zinc/91/83/65/346918365.db2.gz SFAUAFTVMUIVRB-RYUDHWBXSA-N 0 3 250.342 2.002 20 30 CEEDHN CC(C)OCCNC(=O)C(C#N)CCc1ccccc1 ZINC000601910801 346923670 /nfs/dbraw/zinc/92/36/70/346923670.db2.gz JQTRKOHNWPCKQE-HNNXBMFYSA-N 0 3 274.364 2.300 20 30 CEEDHN C=C[C@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000126334527 365707073 /nfs/dbraw/zinc/70/70/73/365707073.db2.gz RASUCHIVQTUCRN-DZKIICNBSA-N 0 3 287.407 2.381 20 30 CEEDHN C=C(C)[C@@H](CO)N(C)CCCOc1ccc(F)cc1 ZINC000678049069 539288115 /nfs/dbraw/zinc/28/81/15/539288115.db2.gz CMQBLIUHDKTKSG-OAHLLOKOSA-N 0 3 267.344 2.463 20 30 CEEDHN C=CCN(CC=C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046444206 362182173 /nfs/dbraw/zinc/18/21/73/362182173.db2.gz JYFLOCBJZAQGDX-CQSZACIVSA-N 0 3 292.335 2.009 20 30 CEEDHN C[C@H](Cn1cccn1)NCc1ccc(N(C)CCC#N)cc1 ZINC000030904391 343406369 /nfs/dbraw/zinc/40/63/69/343406369.db2.gz RCWXTKZFWRBXOA-OAHLLOKOSA-N 0 3 297.406 2.411 20 30 CEEDHN C[C@H](NC[C@H](O)C[C@@](C)(O)C1CC1)c1ccc(C#N)cc1 ZINC000601953187 346941463 /nfs/dbraw/zinc/94/14/63/346941463.db2.gz CDHXITZCPNIKMC-JCURWCKSSA-N 0 3 288.391 2.121 20 30 CEEDHN CC1CCN(CCNC(=O)NCC#Cc2ccccc2)CC1 ZINC000048415802 343530185 /nfs/dbraw/zinc/53/01/85/343530185.db2.gz XKQGLFUPNIHJBK-UHFFFAOYSA-N 0 3 299.418 2.069 20 30 CEEDHN CN1CCC[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000048770160 343532293 /nfs/dbraw/zinc/53/22/93/343532293.db2.gz KORXENQEBHNZGT-GFCCVEGCSA-N 0 3 292.770 2.427 20 30 CEEDHN CN(Cc1cnc2ccc(C#N)cn12)CC1CCC1 ZINC000127794949 365763306 /nfs/dbraw/zinc/76/33/06/365763306.db2.gz WCGJNCAJFORQOR-UHFFFAOYSA-N 0 3 254.337 2.438 20 30 CEEDHN CC[C@@H](NCc1cccc(C#N)c1)[C@@H](O)C(F)F ZINC000295025678 199306961 /nfs/dbraw/zinc/30/69/61/199306961.db2.gz LBSHCPFSUPYDQX-VXGBXAGGSA-N 0 3 254.280 2.052 20 30 CEEDHN CCN(CCC#N)C(=O)CN[C@H](c1ccccc1)C1CC1 ZINC000128097642 365776316 /nfs/dbraw/zinc/77/63/16/365776316.db2.gz RCKLLPYRVUXODA-QGZVFWFLSA-N 0 3 285.391 2.489 20 30 CEEDHN CN(CCNc1ncccc1C#N)Cc1ccccc1 ZINC000053582861 343578757 /nfs/dbraw/zinc/57/87/57/343578757.db2.gz NDDSBPPSQUXERU-UHFFFAOYSA-N 0 3 266.348 2.497 20 30 CEEDHN C#CCN(CC)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000056754406 343619837 /nfs/dbraw/zinc/61/98/37/343619837.db2.gz JYJSFIWXNPBDSV-DOTOQJQBSA-N 0 3 299.418 2.487 20 30 CEEDHN Cn1cc(CCCNCc2cccc(F)c2C#N)cn1 ZINC000602004683 346955824 /nfs/dbraw/zinc/95/58/24/346955824.db2.gz WYMBPJDRNMHZRT-UHFFFAOYSA-N 0 3 272.327 2.153 20 30 CEEDHN C#CCN(C(=O)NC1CCN(CC)CC1)C1CCCCC1 ZINC000068566307 343768455 /nfs/dbraw/zinc/76/84/55/343768455.db2.gz LOEGBIOFYMVFPT-UHFFFAOYSA-N 0 3 291.439 2.448 20 30 CEEDHN CN(CC1(C#N)CC1)[C@@H]1CCCN(CC2(C#N)CC2)CC1 ZINC000347492989 529853355 /nfs/dbraw/zinc/85/33/55/529853355.db2.gz WCKFRXKHYUWSGQ-OAHLLOKOSA-N 0 3 286.423 2.380 20 30 CEEDHN CN(CC(=O)NCC1CCC(C#N)CC1)CC(C)(C)C ZINC000602148828 346982678 /nfs/dbraw/zinc/98/26/78/346982678.db2.gz BVTMGQDHEMCLMO-UHFFFAOYSA-N 0 3 279.428 2.410 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H](c2c[nH]c3ncccc32)C1 ZINC000602197002 346992914 /nfs/dbraw/zinc/99/29/14/346992914.db2.gz KTAZEUGGZRAABI-VXGBXAGGSA-N 0 3 282.347 2.429 20 30 CEEDHN CC(C)CN(C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083169555 344075032 /nfs/dbraw/zinc/07/50/32/344075032.db2.gz IEFGRVOAFDOCNY-LBPRGKRZSA-N 0 3 277.393 2.313 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc(C#N)cc1 ZINC000273931960 192368472 /nfs/dbraw/zinc/36/84/72/192368472.db2.gz CLGNTBACBIEOBZ-RYUDHWBXSA-N 0 3 260.337 2.236 20 30 CEEDHN C=CCN(C)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000127156175 187286346 /nfs/dbraw/zinc/28/63/46/187286346.db2.gz FJYDUTRTRMGZLA-CQSZACIVSA-N 0 3 273.380 2.132 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1(O)CCCC1)C(C)C ZINC000084926527 344092636 /nfs/dbraw/zinc/09/26/36/344092636.db2.gz JPFQTOLSJFOZQR-HNNXBMFYSA-N 0 3 294.439 2.106 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC000091507013 344166222 /nfs/dbraw/zinc/16/62/22/344166222.db2.gz JAIKWCGUNQDTBH-JKSUJKDBSA-N 0 3 295.471 2.264 20 30 CEEDHN C=CCCC[C@H](C)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000091627325 344169087 /nfs/dbraw/zinc/16/90/87/344169087.db2.gz NVVSWMOLDDVKKL-UONOGXRCSA-N 0 3 288.457 2.133 20 30 CEEDHN CCN1CCCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000091165474 344156158 /nfs/dbraw/zinc/15/61/58/344156158.db2.gz ZDSIDDXROKUDHN-UHFFFAOYSA-N 0 3 286.379 2.312 20 30 CEEDHN N#Cc1ccc(C(=O)NCCN2CCCCC2)cc1Cl ZINC000123020646 344308488 /nfs/dbraw/zinc/30/84/88/344308488.db2.gz JSHYTBRPRSZXJI-UHFFFAOYSA-N 0 3 291.782 2.427 20 30 CEEDHN N#Cc1cccc(CNC(=O)[C@@H](C2CC2)N2CCCC2)c1 ZINC000123244976 344309820 /nfs/dbraw/zinc/30/98/20/344309820.db2.gz HJQAQFJQXQRSLO-MRXNPFEDSA-N 0 3 283.375 2.049 20 30 CEEDHN CC(C)CN1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000049943008 362384723 /nfs/dbraw/zinc/38/47/23/362384723.db2.gz HNHGKEDAXJSILC-UHFFFAOYSA-N 0 3 275.371 2.471 20 30 CEEDHN Cc1cc(C#N)cc(NCCN2CCC(C)CC2)n1 ZINC000161688273 344465066 /nfs/dbraw/zinc/46/50/66/344465066.db2.gz NJSNCHGVCMDWFP-UHFFFAOYSA-N 0 3 258.369 2.406 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000602499229 347058463 /nfs/dbraw/zinc/05/84/63/347058463.db2.gz PSSRFTDIEPFEDG-GOSISDBHSA-N 0 3 292.386 2.317 20 30 CEEDHN CN(Cc1ccco1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000347995523 530007859 /nfs/dbraw/zinc/00/78/59/530007859.db2.gz RJEVMFYAUHTYST-HNNXBMFYSA-N 0 3 293.326 2.492 20 30 CEEDHN CO[C@H](CNCc1cccc(C#N)c1)C1CCOCC1 ZINC000602508516 347060982 /nfs/dbraw/zinc/06/09/82/347060982.db2.gz NBEQEYAYQYUATF-MRXNPFEDSA-N 0 3 274.364 2.089 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC2CC2)cc1 ZINC000280520007 344674946 /nfs/dbraw/zinc/67/49/46/344674946.db2.gz RSMPSLZYFIIHRL-HNNXBMFYSA-N 0 3 267.332 2.157 20 30 CEEDHN C=CCOCCN(CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000293175398 344691282 /nfs/dbraw/zinc/69/12/82/344691282.db2.gz SEUSHFNHQWMQAI-UHFFFAOYSA-N 0 3 290.407 2.413 20 30 CEEDHN N#Cc1cccc(OCCN2CCC[C@H](CO)CC2)c1 ZINC000293341227 344691906 /nfs/dbraw/zinc/69/19/06/344691906.db2.gz YSBLPKYLHUWIHH-AWEZNQCLSA-N 0 3 274.364 2.031 20 30 CEEDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(C#N)cc1 ZINC000300543718 344700624 /nfs/dbraw/zinc/70/06/24/344700624.db2.gz UMXKZXXXWSBQSZ-OAHLLOKOSA-N 0 3 271.364 2.115 20 30 CEEDHN C#CC[C@H](N[C@H]1CCN(CCOC)C1)c1ccccc1 ZINC000273207137 192075202 /nfs/dbraw/zinc/07/52/02/192075202.db2.gz SHRRVDHQWVDLFD-IRXDYDNUSA-N 0 3 272.392 2.061 20 30 CEEDHN C[C@H]1CC(F)(F)CCN1C(=O)[C@H](N)CCCCC#N ZINC000602546272 347071838 /nfs/dbraw/zinc/07/18/38/347071838.db2.gz IOMVHYYEXWUADE-WDEREUQCSA-N 0 3 273.327 2.044 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2cccc(C#N)n2)C12CCC2 ZINC000602548681 347072712 /nfs/dbraw/zinc/07/27/12/347072712.db2.gz VEMFTSDPTKPCHB-HUUCEWRRSA-N 0 3 271.364 2.391 20 30 CEEDHN CN(c1ccc(C#N)c([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000357269276 530034725 /nfs/dbraw/zinc/03/47/25/530034725.db2.gz ZQDYKZPKWBCZOT-CQSZACIVSA-N 0 3 286.335 2.139 20 30 CEEDHN C=CC[C@@H](C)NCc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602551457 347073505 /nfs/dbraw/zinc/07/35/05/347073505.db2.gz NPPLZKFOSMBVQG-LLVKDONJSA-N 0 3 279.384 2.430 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)[C@@H]1CCCN1C1CCCC1 ZINC000353293824 282362178 /nfs/dbraw/zinc/36/21/78/282362178.db2.gz HAHXTPULMRBGBW-AWEZNQCLSA-N 0 3 277.412 2.402 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000424063006 344896824 /nfs/dbraw/zinc/89/68/24/344896824.db2.gz WRAUZFSSYSUFOC-CYBMUJFWSA-N 0 3 283.335 2.036 20 30 CEEDHN C[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)N1CCCC1 ZINC000521779348 344928373 /nfs/dbraw/zinc/92/83/73/344928373.db2.gz YARMYUORQJNVLA-BBRMVZONSA-N 0 3 275.396 2.061 20 30 CEEDHN C=C(C)[C@@H](CO)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000586773523 345020061 /nfs/dbraw/zinc/02/00/61/345020061.db2.gz LOLMGYVQHJXOGD-CQSZACIVSA-N 0 3 264.325 2.006 20 30 CEEDHN Cc1ccccc1[C@@H]([C@H](C)Nc1ccc(C#N)nn1)N(C)C ZINC000588084095 345038072 /nfs/dbraw/zinc/03/80/72/345038072.db2.gz JQAIPDNDAFFNTE-SUMWQHHRSA-N 0 3 295.390 2.182 20 30 CEEDHN C[C@@H](CNC(=O)CCCCCC#N)N1CCCC1 ZINC000588281698 345044683 /nfs/dbraw/zinc/04/46/83/345044683.db2.gz KDTJAMZBXPFYEJ-ZDUSSCGKSA-N 0 3 251.374 2.061 20 30 CEEDHN COc1ccc([C@@H](C)NC2CCN(CC#N)CC2)cc1O ZINC000589338946 345078665 /nfs/dbraw/zinc/07/86/65/345078665.db2.gz PVMBDPLNJVFWFQ-GFCCVEGCSA-N 0 3 289.379 2.039 20 30 CEEDHN CC[C@H](COCC(F)(F)F)NCc1cc(C#N)n(C)c1 ZINC000295094234 199342737 /nfs/dbraw/zinc/34/27/37/199342737.db2.gz JQBAITADNYGHQJ-LLVKDONJSA-N 0 3 289.301 2.344 20 30 CEEDHN COC(=O)C[C@](C)(NC[C@H](C)CCC#N)c1ccncc1 ZINC000589823072 345099812 /nfs/dbraw/zinc/09/98/12/345099812.db2.gz YPNXQFQRPMAKRY-CJNGLKHVSA-N 0 3 289.379 2.389 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)CC2(C#N)CC2)CN1Cc1ccccc1 ZINC000590299037 345125626 /nfs/dbraw/zinc/12/56/26/345125626.db2.gz ZQVJEXAZRXDPJB-GDBMZVCRSA-N 0 3 297.402 2.459 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1cnccn1 ZINC000590864406 345191176 /nfs/dbraw/zinc/19/11/76/345191176.db2.gz FUPJXNQZOSKKPB-UKRRQHHQSA-N 0 3 294.358 2.426 20 30 CEEDHN CC[C@H](C(=O)N[C@@](C)(C#N)C1CCCCC1)N(C)C ZINC000591185590 345229131 /nfs/dbraw/zinc/22/91/31/345229131.db2.gz UIXLDRMKTINBSW-HIFRSBDPSA-N 0 3 265.401 2.305 20 30 CEEDHN C[C@@]1(O)C[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000591348699 345241957 /nfs/dbraw/zinc/24/19/57/345241957.db2.gz MSOVQJPDTMKTTI-CWRNSKLLSA-N 0 3 256.349 2.439 20 30 CEEDHN Cc1cccc2c1ncc(C#N)c2NCC1(N(C)C)CC1 ZINC000591370613 345245213 /nfs/dbraw/zinc/24/52/13/345245213.db2.gz KYIFLYCKMUPKSG-UHFFFAOYSA-N 0 3 280.375 2.343 20 30 CEEDHN C[C@H](NC1CCN(CC#N)CC1)c1ccncc1Cl ZINC000591531603 345263649 /nfs/dbraw/zinc/26/36/49/345263649.db2.gz PKZMWZZXZONYBU-NSHDSACASA-N 0 3 278.787 2.374 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCCc2sccc2C1 ZINC000591613673 345269561 /nfs/dbraw/zinc/26/95/61/345269561.db2.gz RENZQFGVQQWUBC-GFCCVEGCSA-N 0 3 277.393 2.044 20 30 CEEDHN CC[C@@H](NC(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000591610393 345269585 /nfs/dbraw/zinc/26/95/85/345269585.db2.gz DGHLOUXEHVFQCG-UONOGXRCSA-N 0 3 265.401 2.483 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CCCC[C@@H]1C1CCC1)C1CC1 ZINC000592197767 345336909 /nfs/dbraw/zinc/33/69/09/345336909.db2.gz JDIDPPHAQGMMRD-NVXWUHKLSA-N 0 3 289.423 2.449 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCCC[C@@H]1C1CCC1 ZINC000592199209 345337183 /nfs/dbraw/zinc/33/71/83/345337183.db2.gz YKSRDDIOXUEVIH-OAHLLOKOSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H](C)CCC)CC1 ZINC000592472033 345358333 /nfs/dbraw/zinc/35/83/33/345358333.db2.gz BJMNQAIDXBHXOH-GFCCVEGCSA-N 0 3 253.390 2.125 20 30 CEEDHN CCCN(CCN1CCCC1)Cc1ccncc1C#N ZINC000592122740 345326063 /nfs/dbraw/zinc/32/60/63/345326063.db2.gz MULFJFQPECFIOL-UHFFFAOYSA-N 0 3 272.396 2.261 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC([C@@H](C)CO)CC1 ZINC000593085014 345436043 /nfs/dbraw/zinc/43/60/43/345436043.db2.gz SUIXYUAINYTEFX-ZDUSSCGKSA-N 0 3 288.391 2.407 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000593534553 345504702 /nfs/dbraw/zinc/50/47/02/345504702.db2.gz LNDSLRMJGIJNDP-WDEREUQCSA-N 0 3 268.357 2.019 20 30 CEEDHN CCC(C#N)C(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000593558106 345507193 /nfs/dbraw/zinc/50/71/93/345507193.db2.gz IICIHIROLWPSQK-NEPJUHHUSA-N 0 3 280.368 2.259 20 30 CEEDHN C[C@@H](COCC1CC1)NCc1cnc2ccc(C#N)cn12 ZINC000593681759 345519968 /nfs/dbraw/zinc/51/99/68/345519968.db2.gz IVRZAFMNRZVGET-LBPRGKRZSA-N 0 3 284.363 2.111 20 30 CEEDHN C[C@@H](NCC[C@@]1(O)CCCOC1)c1ccc(C#N)cc1F ZINC000593720992 345527295 /nfs/dbraw/zinc/52/72/95/345527295.db2.gz OMACLSGKGBHKBO-WBMJQRKESA-N 0 3 292.354 2.280 20 30 CEEDHN CN(CCC(=O)NCC1(C#N)CCCC1)c1ccncc1 ZINC000593774392 345535675 /nfs/dbraw/zinc/53/56/75/345535675.db2.gz ZNSJOHZSRFCYGL-UHFFFAOYSA-N 0 3 286.379 2.108 20 30 CEEDHN C[C@H](C(=O)NCC1(C#N)CCCC1)N1[C@H](C)CC[C@H]1C ZINC000593778125 345536268 /nfs/dbraw/zinc/53/62/68/345536268.db2.gz LRGCLIBILDNQGB-MGPQQGTHSA-N 0 3 277.412 2.448 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)CCc1ccc(C#N)cc1 ZINC000593884128 345548179 /nfs/dbraw/zinc/54/81/79/345548179.db2.gz RFFDLHFDLPFLSE-UHFFFAOYSA-N 0 3 299.418 2.435 20 30 CEEDHN N#CCc1cccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000594201220 345597401 /nfs/dbraw/zinc/59/74/01/345597401.db2.gz OWJXFLVPFCMYQT-DLBZAZTESA-N 0 3 297.402 2.499 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)N2Cc3ccc(C#N)cc3C2)CCN1C ZINC000594233594 345601652 /nfs/dbraw/zinc/60/16/52/345601652.db2.gz VNVCBVLPPPQKIR-BLLLJJGKSA-N 0 3 298.390 2.066 20 30 CEEDHN CCN(CCNC(=O)[C@H](C)Cc1ccc(C#N)cc1)C1CC1 ZINC000594275591 345607742 /nfs/dbraw/zinc/60/77/42/345607742.db2.gz AVUOQVAHOWGMTC-CQSZACIVSA-N 0 3 299.418 2.337 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CCN(C)C)C1CC1 ZINC000594417651 345624260 /nfs/dbraw/zinc/62/42/60/345624260.db2.gz KVYYLKPQJPZLKT-AWEZNQCLSA-N 0 3 299.418 2.289 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(Cl)cc1 ZINC000594424411 345625201 /nfs/dbraw/zinc/62/52/01/345625201.db2.gz DGCLOJLCBPFGSW-CYBMUJFWSA-N 0 3 279.771 2.367 20 30 CEEDHN C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594427002 345626544 /nfs/dbraw/zinc/62/65/44/345626544.db2.gz SDFPIYRPAPJFAC-FRRDWIJNSA-N 0 3 251.374 2.093 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCc1c[nH]c2ccccc12 ZINC000594426569 345626636 /nfs/dbraw/zinc/62/66/36/345626636.db2.gz PDBJSTDEWPENNE-HNNXBMFYSA-N 0 3 298.390 2.238 20 30 CEEDHN COCc1ccccc1NC(=O)[C@H](N)CCCCC#N ZINC000594429126 345627956 /nfs/dbraw/zinc/62/79/56/345627956.db2.gz QZCMMVWYTGQRND-CYBMUJFWSA-N 0 3 275.352 2.183 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000594430102 345627999 /nfs/dbraw/zinc/62/79/99/345627999.db2.gz VSEIXZGXOLPAQJ-HNNXBMFYSA-N 0 3 297.362 2.222 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCc1ccc(F)cc1F ZINC000594432108 345628258 /nfs/dbraw/zinc/62/82/58/345628258.db2.gz XYDNKRXLJWUUHB-AWEZNQCLSA-N 0 3 295.333 2.035 20 30 CEEDHN Cc1cccc(CCNC(=O)[C@H](N)CCCCC#N)c1 ZINC000594431423 345628488 /nfs/dbraw/zinc/62/84/88/345628488.db2.gz MIBXCJCTFHLPNF-OAHLLOKOSA-N 0 3 273.380 2.065 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cc(F)cc(F)c1 ZINC000594430261 345628839 /nfs/dbraw/zinc/62/88/39/345628839.db2.gz YBAJNLZCJHFQSA-GFCCVEGCSA-N 0 3 267.279 2.315 20 30 CEEDHN CN(C(=O)[C@H](N)CCCCC#N)C1Cc2ccccc2C1 ZINC000594431177 345628848 /nfs/dbraw/zinc/62/88/48/345628848.db2.gz JELATUITDJPEES-MRXNPFEDSA-N 0 3 285.391 2.023 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000594433262 345629405 /nfs/dbraw/zinc/62/94/05/345629405.db2.gz MVIASNHUXGBLTH-XQLPTFJDSA-N 0 3 277.412 2.483 20 30 CEEDHN C[C@H](CN(C)C(=O)[C@H](N)CCCCC#N)c1nccs1 ZINC000594436380 345630117 /nfs/dbraw/zinc/63/01/17/345630117.db2.gz HQKHWEMBVUSVJC-VXGBXAGGSA-N 0 3 294.424 2.116 20 30 CEEDHN Cc1cnc([C@H](C)NC(=O)[C@@H](N)CCCCC#N)s1 ZINC000594437517 345630401 /nfs/dbraw/zinc/63/04/01/345630401.db2.gz CRAQNCYGWZGTSM-QWRGUYRKSA-N 0 3 280.397 2.040 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCc2cc(F)ccc2C1 ZINC000594438244 345630453 /nfs/dbraw/zinc/63/04/53/345630453.db2.gz RUXWABDSDJLNIV-OAHLLOKOSA-N 0 3 289.354 2.122 20 30 CEEDHN CCc1nc([C@@H](C)NC(=O)[C@H](N)CCCCC#N)cs1 ZINC000594437032 345630826 /nfs/dbraw/zinc/63/08/26/345630826.db2.gz HPDXAROKPRRNDR-GHMZBOCLSA-N 0 3 294.424 2.294 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000594436986 345630870 /nfs/dbraw/zinc/63/08/70/345630870.db2.gz LDYPGRGWXLMDIC-CYBMUJFWSA-N 0 3 297.362 2.426 20 30 CEEDHN CC[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccncc1 ZINC000594438160 345630874 /nfs/dbraw/zinc/63/08/74/345630874.db2.gz MTDOIQBXMTWOIY-KBPBESRZSA-N 0 3 274.368 2.060 20 30 CEEDHN N#CCCCCC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000594444566 345632536 /nfs/dbraw/zinc/63/25/36/345632536.db2.gz UDJJPLIPQUKAFW-UHFFFAOYSA-N 0 3 273.336 2.191 20 30 CEEDHN Cc1cnc([C@@H](C)CNC(=O)[C@@H](N)CCCCC#N)s1 ZINC000594447552 345632597 /nfs/dbraw/zinc/63/25/97/345632597.db2.gz YOXHDOXTXBGWEL-JQWIXIFHSA-N 0 3 294.424 2.083 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CC2(CC2)c2ccccc21 ZINC000594447080 345632909 /nfs/dbraw/zinc/63/29/09/345632909.db2.gz SRQRGKDXBFFAEH-CQSZACIVSA-N 0 3 283.375 2.476 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@H]1CCc2ccccc2C1 ZINC000594447645 345633428 /nfs/dbraw/zinc/63/34/28/345633428.db2.gz USKHIVJWTNLBIF-WMLDXEAASA-N 0 3 299.418 2.319 20 30 CEEDHN CC[C@H]1CCCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594447883 345633616 /nfs/dbraw/zinc/63/36/16/345633616.db2.gz WXOWTNYKFYCDFX-UONOGXRCSA-N 0 3 265.401 2.436 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000594450081 345634142 /nfs/dbraw/zinc/63/41/42/345634142.db2.gz SZATVOTUKZYHCA-SQWLQELKSA-N 0 3 289.354 2.151 20 30 CEEDHN N#CCc1ccc(NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000594611272 345661303 /nfs/dbraw/zinc/66/13/03/345661303.db2.gz HZTGGCUXDACDMA-KRWDZBQOSA-N 0 3 285.391 2.418 20 30 CEEDHN CO[C@@](C)(CO)CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000594512903 345641158 /nfs/dbraw/zinc/64/11/58/345641158.db2.gz SQUIUSMNXUXZSG-DLBZAZTESA-N 0 3 288.391 2.313 20 30 CEEDHN CCC(C)(C)N1CCN(c2ccncc2C#N)CC1 ZINC000594595120 345654851 /nfs/dbraw/zinc/65/48/51/345654851.db2.gz SMYOOOJILAOUOT-UHFFFAOYSA-N 0 3 258.369 2.264 20 30 CEEDHN Cc1nnc(N[C@H]2CCCN3CCCC[C@@H]23)c(C#N)c1C ZINC000594598618 345656420 /nfs/dbraw/zinc/65/64/20/345656420.db2.gz HBAWELFKYQOCKZ-GJZGRUSLSA-N 0 3 285.395 2.394 20 30 CEEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1cnccn1 ZINC000594710410 345676570 /nfs/dbraw/zinc/67/65/70/345676570.db2.gz KTSZYLDIAPHZCJ-GFCCVEGCSA-N 0 3 252.321 2.242 20 30 CEEDHN CS(=O)(=O)C1(CN[C@@H]2CC[C@@H](C#N)C2)CCCCC1 ZINC000595078002 345739951 /nfs/dbraw/zinc/73/99/51/345739951.db2.gz RJVPEHMUILNQCK-CHWSQXEVSA-N 0 3 284.425 2.016 20 30 CEEDHN CS(=O)(=O)C1(CN[C@@H]2CCC[C@H](C#N)C2)CCCCC1 ZINC000595077042 345740052 /nfs/dbraw/zinc/74/00/52/345740052.db2.gz KZCHZFRXOUCUJH-UONOGXRCSA-N 0 3 298.452 2.406 20 30 CEEDHN COc1ccc2c(c1)OC[C@@H](NCc1cccc(C#N)n1)C2 ZINC000602580644 347087273 /nfs/dbraw/zinc/08/72/73/347087273.db2.gz YANICBNOMILUOO-HNNXBMFYSA-N 0 3 295.342 2.055 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000595258179 345750039 /nfs/dbraw/zinc/75/00/39/345750039.db2.gz RRYNFWNLGPZNTO-MCIONIFRSA-N 0 3 265.401 2.435 20 30 CEEDHN CC(C)(C)C(=O)NCCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594919968 345701980 /nfs/dbraw/zinc/70/19/80/345701980.db2.gz LIBOZBFKZVFHTH-UHFFFAOYSA-N 0 3 299.418 2.494 20 30 CEEDHN CCC(=O)N1CC[C@H](NCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594931887 345707700 /nfs/dbraw/zinc/70/77/00/345707700.db2.gz UAZBLDIPYAXKRM-INIZCTEOSA-N 0 3 297.402 2.342 20 30 CEEDHN C[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2)C1 ZINC000594966483 345719039 /nfs/dbraw/zinc/71/90/39/345719039.db2.gz SIACCPCEMQTWHY-KHYOSLBOSA-N 0 3 276.405 2.338 20 30 CEEDHN COc1cc(CN[C@H]2COC3(CCC3)C2)ccc1C#N ZINC000594975260 345720874 /nfs/dbraw/zinc/72/08/74/345720874.db2.gz OPTGZTRFMTZIBT-CQSZACIVSA-N 0 3 272.348 2.368 20 30 CEEDHN C=CCOCCCNCc1csc([N+](=O)[O-])c1 ZINC000594975476 345720914 /nfs/dbraw/zinc/72/09/14/345720914.db2.gz VUTXADOAEDKJNI-UHFFFAOYSA-N 0 3 256.327 2.339 20 30 CEEDHN COc1ccc(CNC/C=C\CO)cc1OCCCC#N ZINC000594974896 345720971 /nfs/dbraw/zinc/72/09/71/345720971.db2.gz MZTIMYWDKVWSPR-ARJAWSKDSA-N 0 3 290.363 2.016 20 30 CEEDHN Cc1cc(CN[C@@H]2C[C@H](O)C23CCC3)ccc1C#N ZINC000594987831 345722008 /nfs/dbraw/zinc/72/20/08/345722008.db2.gz LFBPDLXVSWCHEM-CABCVRRESA-N 0 3 256.349 2.260 20 30 CEEDHN C=CCCSCCNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000595551231 345810300 /nfs/dbraw/zinc/81/03/00/345810300.db2.gz GVHZRIKGSRUSGN-QWHCGFSZSA-N 0 3 285.457 2.078 20 30 CEEDHN CC[C@@H](C)N(CC)CC(=O)NCc1cccc(C#N)c1 ZINC000595592587 345820831 /nfs/dbraw/zinc/82/08/31/345820831.db2.gz GFOSWQRKMQTDEU-CYBMUJFWSA-N 0 3 273.380 2.295 20 30 CEEDHN CO[C@H](CNC1(c2cccc(C#N)c2)CC1)[C@@H]1CCOC1 ZINC000595419487 345777669 /nfs/dbraw/zinc/77/76/69/345777669.db2.gz YTANZZKSQKECCI-GDBMZVCRSA-N 0 3 286.375 2.188 20 30 CEEDHN N#Cc1ccc(CCN(CCCO)Cc2ccccn2)cc1 ZINC000595467868 345790320 /nfs/dbraw/zinc/79/03/20/345790320.db2.gz UTJHCMZSNSFGBQ-UHFFFAOYSA-N 0 3 295.386 2.380 20 30 CEEDHN N#Cc1ccncc1N1CCN(CC2CC=CC2)CC1 ZINC000595502511 345797689 /nfs/dbraw/zinc/79/76/89/345797689.db2.gz SPUVHJRIXZXQMO-UHFFFAOYSA-N 0 3 268.364 2.041 20 30 CEEDHN Cc1cc(C#N)ccc1CN1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595743770 345864408 /nfs/dbraw/zinc/86/44/08/345864408.db2.gz QRDUMBKMFHBADK-VIKVFOODSA-N 0 3 258.365 2.315 20 30 CEEDHN N#Cc1c(CN2C[C@@H]3C[C@H](O)CC[C@@H]3C2)cn2ccccc12 ZINC000595633078 345833097 /nfs/dbraw/zinc/83/30/97/345833097.db2.gz LHBPTKWWAPQMAP-IJEWVQPXSA-N 0 3 295.386 2.404 20 30 CEEDHN CC(C)(NCCn1cccn1)c1cccc(C#N)c1 ZINC000595633470 345833297 /nfs/dbraw/zinc/83/32/97/345833297.db2.gz SINVYHAKPBTTMU-UHFFFAOYSA-N 0 3 254.337 2.280 20 30 CEEDHN CC(C)(NCCn1ccccc1=O)c1cccc(C#N)c1 ZINC000595639065 345834115 /nfs/dbraw/zinc/83/41/15/345834115.db2.gz GIXXOMJEFWKKDJ-UHFFFAOYSA-N 0 3 281.359 2.245 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)NCC(C)(C)CC#N ZINC000595648490 345837502 /nfs/dbraw/zinc/83/75/02/345837502.db2.gz IYTBSDJUHOYUOL-CQSZACIVSA-N 0 3 294.443 2.346 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H]3COC[C@@H]3C2)cc1F ZINC000595830917 345889250 /nfs/dbraw/zinc/88/92/50/345889250.db2.gz MYQUHYXFIWLUGK-KGLIPLIRSA-N 0 3 260.312 2.166 20 30 CEEDHN N#CCCCN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595747497 345864973 /nfs/dbraw/zinc/86/49/73/345864973.db2.gz KHWNCRWLOUBGSZ-JKSUJKDBSA-N 0 3 258.365 2.388 20 30 CEEDHN COc1ccc(CN2C[C@@H]3COC[C@@]3(C)C2)cc1C#N ZINC000595756187 345867325 /nfs/dbraw/zinc/86/73/25/345867325.db2.gz FHGRYCYDYPUFMO-GDBMZVCRSA-N 0 3 272.348 2.035 20 30 CEEDHN Cn1cc(C[C@@H]2CCC[C@@H]2NC[C@@H](C#N)CCC#N)cn1 ZINC000595768592 345871861 /nfs/dbraw/zinc/87/18/61/345871861.db2.gz IOVSOSRWNKBPLR-KBMXLJTQSA-N 0 3 285.395 2.164 20 30 CEEDHN Cn1cc(C[C@@H]2CCC[C@H]2NCc2ccncc2C#N)cn1 ZINC000595772681 345872466 /nfs/dbraw/zinc/87/24/66/345872466.db2.gz UJOZTVRENJMPRM-WMLDXEAASA-N 0 3 295.390 2.188 20 30 CEEDHN CCN(CCC#N)C(=O)CN(CCC1CC1)CC1CC1 ZINC000595871447 345902731 /nfs/dbraw/zinc/90/27/31/345902731.db2.gz ODYKBHRDBHRKGW-UHFFFAOYSA-N 0 3 277.412 2.261 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000595936751 345915015 /nfs/dbraw/zinc/91/50/15/345915015.db2.gz CWJJSYUIZJSAMH-KGLIPLIRSA-N 0 3 263.385 2.212 20 30 CEEDHN CC(C)(CNC(=O)[C@@H](N)CCCCC#N)CC(F)(F)F ZINC000595986127 345921208 /nfs/dbraw/zinc/92/12/08/345921208.db2.gz OWGSLBNJCSRURW-JTQLQIEISA-N 0 3 293.333 2.492 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2c(C#N)cnn2C)CN1Cc1ccccc1 ZINC000596160781 345956335 /nfs/dbraw/zinc/95/63/35/345956335.db2.gz HEAKMLHACYALCC-CZUORRHYSA-N 0 3 295.390 2.367 20 30 CEEDHN Cc1cccc(CN(CCN(C)C)c2cc(C#N)cnn2)c1 ZINC000596160614 345956373 /nfs/dbraw/zinc/95/63/73/345956373.db2.gz QYWFREZPMUXRMY-UHFFFAOYSA-N 0 3 295.390 2.225 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1nc2ncccc2cc1C#N ZINC000596162520 345956849 /nfs/dbraw/zinc/95/68/49/345956849.db2.gz LZOXSDDEWRPXSB-NHYWBVRUSA-N 0 3 293.374 2.396 20 30 CEEDHN CCN1CCC(N(C)c2nc3ncccc3cc2C#N)CC1 ZINC000596071857 345932913 /nfs/dbraw/zinc/93/29/13/345932913.db2.gz UDMXVGCHQCXSCF-UHFFFAOYSA-N 0 3 295.390 2.422 20 30 CEEDHN CCN1CCCN(c2nc3ncccc3cc2C#N)[C@H](C)C1 ZINC000596268628 345986448 /nfs/dbraw/zinc/98/64/48/345986448.db2.gz KUWMMEQQTFELIR-CYBMUJFWSA-N 0 3 295.390 2.422 20 30 CEEDHN CN1C[C@@H]2CCCN(c3nc4ncccc4cc3C#N)[C@@H]2C1 ZINC000596282281 345990627 /nfs/dbraw/zinc/99/06/27/345990627.db2.gz TYPWZJNSLWABNP-DZGCQCFKSA-N 0 3 293.374 2.032 20 30 CEEDHN Cc1nnc(N[C@@H](C)CN2CCC(C)CC2)c(C#N)c1C ZINC000596487330 346036115 /nfs/dbraw/zinc/03/61/15/346036115.db2.gz GPERXPVGWWZPKI-LBPRGKRZSA-N 0 3 287.411 2.497 20 30 CEEDHN Cc1cc(C#N)nc(N[C@H](C)CN2CCC(C)CC2)n1 ZINC000596487545 346036708 /nfs/dbraw/zinc/03/67/08/346036708.db2.gz HEOZCSDIASDABZ-CYBMUJFWSA-N 0 3 273.384 2.189 20 30 CEEDHN CCCN1CC[C@H](Nc2nc3ncccc3cc2C#N)C1 ZINC000596516003 346043896 /nfs/dbraw/zinc/04/38/96/346043896.db2.gz BNGNXIBVZNMZBZ-AWEZNQCLSA-N 0 3 281.363 2.398 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000596656269 346073623 /nfs/dbraw/zinc/07/36/23/346073623.db2.gz BAAGAPRJZRBVOM-GFCCVEGCSA-N 0 3 280.416 2.050 20 30 CEEDHN C=CCCSCCNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000596722527 346080810 /nfs/dbraw/zinc/08/08/10/346080810.db2.gz USADVJCOWXYBPM-ZDUSSCGKSA-N 0 3 285.457 2.031 20 30 CEEDHN CCCN1CC[C@H](NC(=O)Nc2cc(C)cc(C#N)c2)C1 ZINC000596927602 346106977 /nfs/dbraw/zinc/10/69/77/346106977.db2.gz DHUFMCMBZPHLHV-AWEZNQCLSA-N 0 3 286.379 2.473 20 30 CEEDHN Cn1ncc2c1CC(C)(C)CN([C@@H]1CC[C@H](C#N)C1)C2 ZINC000596599280 346063216 /nfs/dbraw/zinc/06/32/16/346063216.db2.gz SGLNMDKCWMCKLM-GXTWGEPZSA-N 0 3 272.396 2.497 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CO[C@H](C3CC3)C2)cc1F ZINC000597142697 346134415 /nfs/dbraw/zinc/13/44/15/346134415.db2.gz CLUZRPBXGRVELM-HIFRSBDPSA-N 0 3 260.312 2.354 20 30 CEEDHN N#CCc1ccc(CN[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597154957 346136948 /nfs/dbraw/zinc/13/69/48/346136948.db2.gz PXCIZZQXPQJJDZ-HOTGVXAUSA-N 0 3 256.349 2.410 20 30 CEEDHN C[C@@]12COC[C@]1(C)CN(Cc1cc(C#N)cs1)C2 ZINC000597195068 346145964 /nfs/dbraw/zinc/14/59/64/346145964.db2.gz BOWDFGLDWMICKN-OKILXGFUSA-N 0 3 262.378 2.478 20 30 CEEDHN CN(C)C(=O)C1(NCc2cccc(C#N)c2)CCCCC1 ZINC000295123877 199358198 /nfs/dbraw/zinc/35/81/98/199358198.db2.gz XPVKWOFEIMPSSD-UHFFFAOYSA-N 0 3 285.391 2.439 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)CC1(C#N)CCCCC1 ZINC000597760557 346227921 /nfs/dbraw/zinc/22/79/21/346227921.db2.gz SMAJSAQRIJIAGC-UHFFFAOYSA-N 0 3 265.401 2.307 20 30 CEEDHN Cc1cc(NC(=O)[C@H](C)CC#N)ccc1OCCN(C)C ZINC000597764784 346228450 /nfs/dbraw/zinc/22/84/50/346228450.db2.gz ODZPDVQQUVNPEG-GFCCVEGCSA-N 0 3 289.379 2.424 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)CC1(C#N)CCCCC1 ZINC000597792203 346231232 /nfs/dbraw/zinc/23/12/32/346231232.db2.gz VVCKCBJOBSFFDG-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN CC[C@H](NCc1ccc(OC)c(C#N)c1)[C@H](O)C(F)F ZINC000295129761 199360205 /nfs/dbraw/zinc/36/02/05/199360205.db2.gz XXNPYIRCBMSBNI-AAEUAGOBSA-N 0 3 284.306 2.061 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@]2(CCN(C)C2)C1 ZINC000597716730 346221069 /nfs/dbraw/zinc/22/10/69/346221069.db2.gz STRSKCJONGGHRZ-SFHVURJKSA-N 0 3 297.402 2.425 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)CCc1ccc(C#N)cc1 ZINC000597859097 346239803 /nfs/dbraw/zinc/23/98/03/346239803.db2.gz RWBMOHIJNKALHO-MRXNPFEDSA-N 0 3 299.418 2.480 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)CCCCC#N ZINC000598262843 346316153 /nfs/dbraw/zinc/31/61/53/346316153.db2.gz MOPZOLKDDCDCSA-CQSZACIVSA-N 0 3 265.401 2.307 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)NCC1(C#N)CCCCC1 ZINC000598307590 346323512 /nfs/dbraw/zinc/32/35/12/346323512.db2.gz RWGRSQYREVEVMK-CQSZACIVSA-N 0 3 277.412 2.451 20 30 CEEDHN C[C@H](C(=O)N1CC[C@](C)(C#N)C1)N1CCCCCC1 ZINC000598411425 346349734 /nfs/dbraw/zinc/34/97/34/346349734.db2.gz IZIODFWWPHRPDK-UKRRQHHQSA-N 0 3 263.385 2.013 20 30 CEEDHN CC[C@@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)C[C@H](C)N1 ZINC000598531519 346371951 /nfs/dbraw/zinc/37/19/51/346371951.db2.gz JVMCFBHGOUECDY-GXFFZTMASA-N 0 3 291.782 2.424 20 30 CEEDHN CC(C)[C@@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)CCN1 ZINC000598574542 346377054 /nfs/dbraw/zinc/37/70/54/346377054.db2.gz ROKQASQIFPCIEW-AWEZNQCLSA-N 0 3 291.782 2.282 20 30 CEEDHN CN(CCOc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598585799 346377704 /nfs/dbraw/zinc/37/77/04/346377704.db2.gz AVGOFJABXGGTDJ-AWEZNQCLSA-N 0 3 276.380 2.298 20 30 CEEDHN CN(Cc1cccc(O)c1)C[C@H](O)CC(C)(C)C#N ZINC000598591594 346379520 /nfs/dbraw/zinc/37/95/20/346379520.db2.gz BPWYJAVRFIFDAR-CQSZACIVSA-N 0 3 262.353 2.125 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCC(C(F)F)CC1 ZINC000598594122 346380048 /nfs/dbraw/zinc/38/00/48/346380048.db2.gz ZDSWRIVNWJSFFV-NSHDSACASA-N 0 3 260.328 2.264 20 30 CEEDHN CN(C[C@H](O)CC(C)(C)C#N)[C@@H]1CCCc2c1cnn2C ZINC000598596946 346380957 /nfs/dbraw/zinc/38/09/57/346380957.db2.gz OAAQXIVPIRNMPT-TZMCWYRMSA-N 0 3 290.411 2.030 20 30 CEEDHN Cn1cc([C@@H](NC[C@H](O)CC(C)(C)C#N)C(C)(C)C)cn1 ZINC000598601660 346382145 /nfs/dbraw/zinc/38/21/45/346382145.db2.gz LSCYFDHIRONQRF-ZIAGYGMSSA-N 0 3 292.427 2.398 20 30 CEEDHN Cc1ccncc1CN(C)C[C@H](O)CC(C)(C)C#N ZINC000598610195 346383195 /nfs/dbraw/zinc/38/31/95/346383195.db2.gz FYQPTPPMXRPMCG-CQSZACIVSA-N 0 3 261.369 2.123 20 30 CEEDHN COc1cnccc1[C@@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC000598605858 346383393 /nfs/dbraw/zinc/38/33/93/346383393.db2.gz DKJZVNICQIMPGD-NEPJUHHUSA-N 0 3 277.368 2.042 20 30 CEEDHN CCn1ccc(CN(C)C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598616387 346384392 /nfs/dbraw/zinc/38/43/92/346384392.db2.gz OZONHXAXLDNEJV-AWEZNQCLSA-N 0 3 263.385 2.241 20 30 CEEDHN CC(=O)N1CC[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000598678986 346399358 /nfs/dbraw/zinc/39/93/58/346399358.db2.gz CCDQOWCPJJYNMK-WBVHZDCISA-N 0 3 283.375 2.146 20 30 CEEDHN COc1c(C)cccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598705438 346404808 /nfs/dbraw/zinc/40/48/08/346404808.db2.gz JNJFTATYQYFNBP-CQSZACIVSA-N 0 3 276.380 2.394 20 30 CEEDHN Cn1ncc(C2CCC2)c1CNC[C@H](O)CC(C)(C)C#N ZINC000598705415 346404824 /nfs/dbraw/zinc/40/48/24/346404824.db2.gz JGNNNFPYJILISN-CYBMUJFWSA-N 0 3 290.411 2.078 20 30 CEEDHN CN(C(=O)c1ccc2c(c1)CNC2)[C@H]1CCC[C@@H]1C#N ZINC000602597396 347094111 /nfs/dbraw/zinc/09/41/11/347094111.db2.gz BRXPXDHAEXDOIB-DOMZBBRYSA-N 0 3 269.348 2.054 20 30 CEEDHN N#Cc1cccc(CN2CC[C@@H](Cc3ccncc3)C2)n1 ZINC000602599377 347095007 /nfs/dbraw/zinc/09/50/07/347095007.db2.gz IRDWIULCQYLYMJ-HNNXBMFYSA-N 0 3 278.359 2.413 20 30 CEEDHN COc1cccc([C@H](C)NC[C@H](O)CC2(C#N)CC2)c1 ZINC000599346731 346503202 /nfs/dbraw/zinc/50/32/02/346503202.db2.gz DGRSAQGSHGCRNL-GXTWGEPZSA-N 0 3 274.364 2.401 20 30 CEEDHN C[C@@H](NCCOC1CCOCC1)c1cccc(C#N)c1 ZINC000599348583 346504009 /nfs/dbraw/zinc/50/40/09/346504009.db2.gz HEQQOXKOMRIVTN-CYBMUJFWSA-N 0 3 274.364 2.404 20 30 CEEDHN C[C@@H](NCCOC1CCOCC1)c1ccc(C#N)cc1 ZINC000599349899 346504310 /nfs/dbraw/zinc/50/43/10/346504310.db2.gz LRBMBLDBPLRVLD-CYBMUJFWSA-N 0 3 274.364 2.404 20 30 CEEDHN Cc1ccc(CN2CC[C@@H](CCCO)C2)cc1C#N ZINC000599437039 346520136 /nfs/dbraw/zinc/52/01/36/346520136.db2.gz LTBNZQPDHQPSPP-CQSZACIVSA-N 0 3 258.365 2.461 20 30 CEEDHN C[C@H](C(=O)N(C)[C@@H]1CCC[C@H]1C#N)[C@@H](N)c1ccccc1 ZINC000602604697 347096731 /nfs/dbraw/zinc/09/67/31/347096731.db2.gz ZVFOIDBHYIOQMD-ARLBYUKCSA-N 0 3 285.391 2.473 20 30 CEEDHN N#Cc1cc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)ccc1F ZINC000599680867 346563246 /nfs/dbraw/zinc/56/32/46/346563246.db2.gz IQKBOQYALKSNOS-NILFDRSVSA-N 0 3 260.312 2.043 20 30 CEEDHN C[C@H](CCC#N)C[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000602612269 347101711 /nfs/dbraw/zinc/10/17/11/347101711.db2.gz HEKOUMKKLONQTL-TZMCWYRMSA-N 0 3 269.352 2.424 20 30 CEEDHN C[C@H](CCC#N)CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000602612269 347101715 /nfs/dbraw/zinc/10/17/15/347101715.db2.gz HEKOUMKKLONQTL-TZMCWYRMSA-N 0 3 269.352 2.424 20 30 CEEDHN C[C@H](CC#N)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600230992 346628127 /nfs/dbraw/zinc/62/81/27/346628127.db2.gz XJRVJTNHYNOTIX-TZMCWYRMSA-N 0 3 263.385 2.059 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000129220388 365837190 /nfs/dbraw/zinc/83/71/90/365837190.db2.gz QJTKQZWMJFAMFE-HNNXBMFYSA-N 0 3 271.364 2.049 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)C1(C#N)CC2(CC2)C1 ZINC000600996101 346728832 /nfs/dbraw/zinc/72/88/32/346728832.db2.gz SNHGKGMTFKSVEC-ZDUSSCGKSA-N 0 3 275.396 2.061 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)c1ccccc1CC#N ZINC000600996169 346729047 /nfs/dbraw/zinc/72/90/47/346729047.db2.gz WBXKIERPWYRGJH-CQSZACIVSA-N 0 3 285.391 2.357 20 30 CEEDHN CC(C)[C@@H](N)c1cn(-c2ccc(Cl)cc2C#N)nn1 ZINC000600975437 346724124 /nfs/dbraw/zinc/72/41/24/346724124.db2.gz BVRDDAMNKWHLMD-CYBMUJFWSA-N 0 3 275.743 2.448 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601123361 346760170 /nfs/dbraw/zinc/76/01/70/346760170.db2.gz AOQHXYAGUDTLCT-OKILXGFUSA-N 0 3 289.423 2.449 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601150146 346769762 /nfs/dbraw/zinc/76/97/62/346769762.db2.gz WSZQVPJXDDFTMW-CYBMUJFWSA-N 0 3 275.396 2.061 20 30 CEEDHN N#Cc1cc(NC[C@@H]2CCCCN2C2CC2)nc(C2CC2)n1 ZINC000601154497 346771453 /nfs/dbraw/zinc/77/14/53/346771453.db2.gz MIFVMKORUYDCQG-HNNXBMFYSA-N 0 3 297.406 2.076 20 30 CEEDHN CCN(CCOc1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000336815297 365856576 /nfs/dbraw/zinc/85/65/76/365856576.db2.gz HLSKWUKBQSINII-CQSZACIVSA-N 0 3 260.337 2.048 20 30 CEEDHN CC[C@@H]1CN(C)CCCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000601192320 346782611 /nfs/dbraw/zinc/78/26/11/346782611.db2.gz VOABVVUTKRUJKV-CYBMUJFWSA-N 0 3 288.351 2.387 20 30 CEEDHN C[C@@H](CCC#N)CN1C[C@H](C)OC2(CCOCC2)C1 ZINC000602645707 347120978 /nfs/dbraw/zinc/12/09/78/347120978.db2.gz YYTIDTOSNHDRPP-KBPBESRZSA-N 0 3 266.385 2.196 20 30 CEEDHN C=CC[C@H](CC)NCc1cc(C(=O)OCC)no1 ZINC000602648992 347122903 /nfs/dbraw/zinc/12/29/03/347122903.db2.gz RRZNEAIQXXGKIV-JTQLQIEISA-N 0 3 252.314 2.296 20 30 CEEDHN Cc1cccc2c1OC[C@H](NCc1cccc(C#N)n1)C2 ZINC000602674503 347137372 /nfs/dbraw/zinc/13/73/72/347137372.db2.gz DEPQCSLJNKDVLK-MRXNPFEDSA-N 0 3 279.343 2.355 20 30 CEEDHN CC(C)c1nc(CN[C@H](C)CC2(C#N)CCOCC2)n[nH]1 ZINC000602675903 347138057 /nfs/dbraw/zinc/13/80/57/347138057.db2.gz WSKFKBOEULEMQF-GFCCVEGCSA-N 0 3 291.399 2.117 20 30 CEEDHN COC(=O)[C@]12CN(Cc3cccc(C#N)n3)C[C@H]1CCCC2 ZINC000602704765 347159304 /nfs/dbraw/zinc/15/93/04/347159304.db2.gz IGRVVBOVGQGCHT-CXAGYDPISA-N 0 3 299.374 2.118 20 30 CEEDHN C[C@@H](Cc1ccccn1)NCc1cccc(C#N)n1 ZINC000602704288 347159360 /nfs/dbraw/zinc/15/93/60/347159360.db2.gz FSQKWELBOWYZJK-LBPRGKRZSA-N 0 3 252.321 2.069 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCCC23CCOCC3)n1 ZINC000602654071 347125027 /nfs/dbraw/zinc/12/50/27/347125027.db2.gz TZQZCBFQPHDXSK-OAHLLOKOSA-N 0 3 271.364 2.392 20 30 CEEDHN C=CCN1CCC(NC(=O)CO[C@H]2CCC[C@H](C)C2)CC1 ZINC000602768093 347190583 /nfs/dbraw/zinc/19/05/83/347190583.db2.gz UEZOWSQLARICLK-HOCLYGCPSA-N 0 3 294.439 2.348 20 30 CEEDHN N#CCC1(CN2CCC[C@H](c3nnc4n3CCC4)C2)CC1 ZINC000602775022 347193251 /nfs/dbraw/zinc/19/32/51/347193251.db2.gz DBYJZCFQPNLZBV-ZDUSSCGKSA-N 0 3 285.395 2.098 20 30 CEEDHN C[C@H](CCC#N)CNCc1c(Br)cnn1C ZINC000602735772 347178926 /nfs/dbraw/zinc/17/89/26/347178926.db2.gz XSGKDQITXDUZTH-SECBINFHSA-N 0 3 285.189 2.212 20 30 CEEDHN CN(Cc1cccc(F)c1C#N)[C@H]1CN2CCC1CC2 ZINC000602750883 347185322 /nfs/dbraw/zinc/18/53/22/347185322.db2.gz GWECECIUJPXITC-INIZCTEOSA-N 0 3 273.355 2.223 20 30 CEEDHN CC(C)[C@@]1(CO)CCCN(CC2(CC#N)CC2)C1 ZINC000602833518 347217206 /nfs/dbraw/zinc/21/72/06/347217206.db2.gz WFGUMOAUJCJDGB-HNNXBMFYSA-N 0 3 250.386 2.411 20 30 CEEDHN CCOC(=O)CCCCCN1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602849250 347224461 /nfs/dbraw/zinc/22/44/61/347224461.db2.gz KNMJYVMMDPCEAI-HUUCEWRRSA-N 0 3 295.427 2.028 20 30 CEEDHN C[C@H]1CN(CCCC2CCOCC2)C[C@H](C)N1CC#N ZINC000602853815 347226091 /nfs/dbraw/zinc/22/60/91/347226091.db2.gz LZJWAMQGEVBARB-GJZGRUSLSA-N 0 3 279.428 2.111 20 30 CEEDHN C[C@H]1CN(CCCCOC(C)(C)C)C[C@H](C)N1CC#N ZINC000602856363 347227121 /nfs/dbraw/zinc/22/71/21/347227121.db2.gz ZNBWWCVSRGOXQQ-GJZGRUSLSA-N 0 3 281.444 2.500 20 30 CEEDHN CCN1[C@H](C)CN(CCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000602875145 347234919 /nfs/dbraw/zinc/23/49/19/347234919.db2.gz WLPUEBXRBIZTBA-GASCZTMLSA-N 0 3 287.407 2.352 20 30 CEEDHN CN1CCN(Cc2ccc(C#N)cn2)C[C@@H]1C(C)(C)C ZINC000602875272 347234969 /nfs/dbraw/zinc/23/49/69/347234969.db2.gz YURMAUJCKIOXAK-OAHLLOKOSA-N 0 3 272.396 2.115 20 30 CEEDHN COC[C@@H](C)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602903029 347242272 /nfs/dbraw/zinc/24/22/72/347242272.db2.gz YWFHGXVAHLMGCL-CYBMUJFWSA-N 0 3 273.380 2.469 20 30 CEEDHN CCOC(=O)CCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908349 347244835 /nfs/dbraw/zinc/24/48/35/347244835.db2.gz DCTSEIATZQWVFE-UHFFFAOYSA-N 0 3 287.363 2.086 20 30 CEEDHN CCC[C@H](N)c1cn(Cc2ccc(C#N)cc2OC)nn1 ZINC000603241586 347320183 /nfs/dbraw/zinc/32/01/83/347320183.db2.gz SKIBEJAXKZTICJ-ZDUSSCGKSA-N 0 3 285.351 2.007 20 30 CEEDHN N#Cc1ccc(CCn2cc(CNC3CCCC3)nn2)cc1 ZINC000603248107 347321432 /nfs/dbraw/zinc/32/14/32/347321432.db2.gz PUIQVIHTTKWCAW-UHFFFAOYSA-N 0 3 295.390 2.425 20 30 CEEDHN CC(C)(C)c1ccc(C#N)c(NC[C@H]2CSCCN2)n1 ZINC000603417777 347365088 /nfs/dbraw/zinc/36/50/88/347365088.db2.gz AVMWILBLTQMHNS-LBPRGKRZSA-N 0 3 290.436 2.368 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000129790360 365895253 /nfs/dbraw/zinc/89/52/53/365895253.db2.gz RNRKFFKMIHXJOM-VYDXJSESSA-N 0 3 284.403 2.250 20 30 CEEDHN N#CCN1CCC(NCc2nccc3ccccc32)CC1 ZINC000610137447 347661904 /nfs/dbraw/zinc/66/19/04/347661904.db2.gz KINLBBHVMWHIBI-UHFFFAOYSA-N 0 3 280.375 2.312 20 30 CEEDHN N#CC1(C(=O)N[C@H]2CCN(CC3CC3)C2)CCCCC1 ZINC000609382312 347637850 /nfs/dbraw/zinc/63/78/50/347637850.db2.gz AKXWFZRREMGKFG-AWEZNQCLSA-N 0 3 275.396 2.061 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(C(C)(C)CO)CC1 ZINC000610481122 347684013 /nfs/dbraw/zinc/68/40/13/347684013.db2.gz IJVQXCGZQKPZMF-AWEZNQCLSA-N 0 3 287.407 2.008 20 30 CEEDHN C=CCSCCNC(=O)N[C@H](CC)CN1CCCC1 ZINC000610720104 347706378 /nfs/dbraw/zinc/70/63/78/347706378.db2.gz QYFGKBDGLXCEEF-CYBMUJFWSA-N 0 3 285.457 2.079 20 30 CEEDHN CC(C)N(CC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000611290064 347763489 /nfs/dbraw/zinc/76/34/89/347763489.db2.gz JXAKZYRQJHLUKF-INIZCTEOSA-N 0 3 257.381 2.495 20 30 CEEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)[C@@H]1CN(C)CCO1 ZINC000611394722 347773396 /nfs/dbraw/zinc/77/33/96/347773396.db2.gz YYDSDAHCUZNEPO-KKXDTOCCSA-N 0 3 299.418 2.244 20 30 CEEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@H]1CN(C)CCO1 ZINC000611465939 347782085 /nfs/dbraw/zinc/78/20/85/347782085.db2.gz UABBHQRUCTXQRL-HWWQOWPSSA-N 0 3 291.370 2.067 20 30 CEEDHN N#Cc1cc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)ccn1 ZINC000610995107 347730432 /nfs/dbraw/zinc/73/04/32/347730432.db2.gz HQYXALGZFMKMAU-MAUKXSAKSA-N 0 3 296.418 2.402 20 30 CEEDHN C[C@]1(NCc2ccnc(C#N)c2)CCO[C@@H]1C1CC1 ZINC000612187551 347854836 /nfs/dbraw/zinc/85/48/36/347854836.db2.gz ZMFZEINJNYOFTP-CABCVRRESA-N 0 3 257.337 2.000 20 30 CEEDHN C[C@H](C(=O)N1CCC[C@](C)(C#N)C1)N1[C@H](C)CC[C@@H]1C ZINC000612397473 347879541 /nfs/dbraw/zinc/87/95/41/347879541.db2.gz SLALYWXRFNVKMS-HLPPOEQASA-N 0 3 277.412 2.400 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000066313426 362860055 /nfs/dbraw/zinc/86/00/55/362860055.db2.gz FWPXOHWGDUZYPF-AWEZNQCLSA-N 0 3 290.407 2.346 20 30 CEEDHN C[C@@H]1CCCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000568765660 299152285 /nfs/dbraw/zinc/15/22/85/299152285.db2.gz SRBKNUHAYZQGOI-GFCCVEGCSA-N 0 3 269.352 2.223 20 30 CEEDHN COc1ccc(CN2C[C@@H](C)N(C)C[C@@H]2C)cc1C#N ZINC000351951892 219261885 /nfs/dbraw/zinc/26/18/85/219261885.db2.gz OZBCIAOFHBUELY-OLZOCXBDSA-N 0 3 273.380 2.091 20 30 CEEDHN C#CCOc1ccccc1CNCCCn1cccn1 ZINC000067186418 362903434 /nfs/dbraw/zinc/90/34/34/362903434.db2.gz XXZDAVQIBDNKLB-UHFFFAOYSA-N 0 3 269.348 2.075 20 30 CEEDHN CC(C)[C@H](N[C@H]1CCC[C@H](C#N)C1)C(=O)N1CCCC1 ZINC000618571652 348978878 /nfs/dbraw/zinc/97/88/78/348978878.db2.gz FSOWLOMLOJKGKR-KKUMJFAQSA-N 0 3 277.412 2.305 20 30 CEEDHN CCN(CC)CC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618893012 349061519 /nfs/dbraw/zinc/06/15/19/349061519.db2.gz USDRCPWFXOJCCJ-HNNXBMFYSA-N 0 3 271.364 2.004 20 30 CEEDHN C[C@H]1OCC[C@@H]1NCc1ccc(C#N)c(Cl)c1 ZINC000619748600 349232394 /nfs/dbraw/zinc/23/23/94/349232394.db2.gz JPEXYBJGNOKRLK-RNCFNFMXSA-N 0 3 250.729 2.479 20 30 CEEDHN C=CC(C)(C)CCNC(=O)NC[C@H]1CCCN1CC ZINC000623395174 350007801 /nfs/dbraw/zinc/00/78/01/350007801.db2.gz AGRRVBBZGWKHLF-CYBMUJFWSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cc(C)c(Br)cn1 ZINC000623483439 350031410 /nfs/dbraw/zinc/03/14/10/350031410.db2.gz GLESVXSDEFAFIK-LLVKDONJSA-N 0 3 299.212 2.427 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000623708285 350087640 /nfs/dbraw/zinc/08/76/40/350087640.db2.gz CFSDOGIYXBEPOI-DZGCQCFKSA-N 0 3 297.468 2.031 20 30 CEEDHN C=CCCOCCN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000090883689 180052682 /nfs/dbraw/zinc/05/26/82/180052682.db2.gz VMQAUOMTRYPJMS-ZDUSSCGKSA-N 0 3 297.420 2.333 20 30 CEEDHN COCCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104712635 186018283 /nfs/dbraw/zinc/01/82/83/186018283.db2.gz KMEFWZFLUOYRLO-UHFFFAOYSA-N 0 3 274.364 2.438 20 30 CEEDHN COCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104712984 186018286 /nfs/dbraw/zinc/01/82/86/186018286.db2.gz FIOYKODKSPJBBP-UHFFFAOYSA-N 0 3 260.337 2.048 20 30 CEEDHN C[C@H](NC[C@@H]1CN2CCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000091662759 180220122 /nfs/dbraw/zinc/22/01/22/180220122.db2.gz KUYLOCNOJVIVAB-IAOVAPTHSA-N 0 3 285.391 2.072 20 30 CEEDHN CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@@H]1CCCN(C)C1 ZINC000412140635 233348628 /nfs/dbraw/zinc/34/86/28/233348628.db2.gz VGFDTAKUPBLPAI-IXDOHACOSA-N 0 3 297.402 2.214 20 30 CEEDHN CN(C)CCN(C)c1ccc(Br)cc1C#N ZINC000130462474 365959413 /nfs/dbraw/zinc/95/94/13/365959413.db2.gz HGQPDQLTMNRYCS-UHFFFAOYSA-N 0 3 282.185 2.319 20 30 CEEDHN CN(CCC1CC1)Cc1cnc2ccc(C#N)cn12 ZINC000092067113 180316338 /nfs/dbraw/zinc/31/63/38/180316338.db2.gz XHVGMSBDTFXHMN-UHFFFAOYSA-N 0 3 254.337 2.438 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC#CCN1C(=O)c2ccccc2C1=O ZINC000625224685 350434954 /nfs/dbraw/zinc/43/49/54/350434954.db2.gz QBEDEMDFJBXOIG-ZIAGYGMSSA-N 0 3 296.370 2.159 20 30 CEEDHN CC[C@@H](C)N(C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625250162 350441517 /nfs/dbraw/zinc/44/15/17/350441517.db2.gz JIDZMTTXHPIXPV-CYBMUJFWSA-N 0 3 284.359 2.016 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000625699666 350549452 /nfs/dbraw/zinc/54/94/52/350549452.db2.gz CGCKQHRWZYYZDT-OAGGEKHMSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)N(CC)CC(=C)C)C1 ZINC000625699845 350549609 /nfs/dbraw/zinc/54/96/09/350549609.db2.gz HVFCCCJHCRHRGF-AWEZNQCLSA-N 0 3 250.386 2.309 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)NCc2ccccc2OC)C1 ZINC000625700727 350550573 /nfs/dbraw/zinc/55/05/73/350550573.db2.gz LOVHVHNVFTVZMY-CQSZACIVSA-N 0 3 288.391 2.209 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)N2CCCC[C@H]2C)C1 ZINC000625704602 350552033 /nfs/dbraw/zinc/55/20/33/350552033.db2.gz VEXSXQNHICDOQQ-KGLIPLIRSA-N 0 3 250.386 2.285 20 30 CEEDHN COCC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000069704107 362993656 /nfs/dbraw/zinc/99/36/56/362993656.db2.gz GBPFXJGEBYSCIN-UHFFFAOYSA-N 0 3 274.364 2.295 20 30 CEEDHN C=CCN1CC[C@H](N2CCC[C@@H](CCC)C2)C1=O ZINC000337168395 366047817 /nfs/dbraw/zinc/04/78/17/366047817.db2.gz DBDYJAXYBWYPCF-KGLIPLIRSA-N 0 3 250.386 2.285 20 30 CEEDHN CCCN(CCN(C)C)C(=O)c1ccc(C#N)cc1C ZINC000120856896 186931474 /nfs/dbraw/zinc/93/14/74/186931474.db2.gz QSYSOPNRPUHUFB-UHFFFAOYSA-N 0 3 273.380 2.281 20 30 CEEDHN C=CCN1CC[C@H](N[C@@H]2C[C@@H](OCC)C2(CC)CC)C1=O ZINC000337182888 366058257 /nfs/dbraw/zinc/05/82/57/366058257.db2.gz BMKUHYLLJWWOQZ-RRFJBIMHSA-N 0 3 294.439 2.347 20 30 CEEDHN C=CCN1CC[C@H](N2CCCC3(CCCC3)C2)C1=O ZINC000337210272 366078797 /nfs/dbraw/zinc/07/87/97/366078797.db2.gz TVTDDIQZZQGOTO-AWEZNQCLSA-N 0 3 262.397 2.430 20 30 CEEDHN N#Cc1cc(CN2CC[C@@]3(CCOC3)C2)ccc1F ZINC000122195162 187020108 /nfs/dbraw/zinc/02/01/08/187020108.db2.gz XGYJGPNYDLOOHU-OAHLLOKOSA-N 0 3 260.312 2.310 20 30 CEEDHN COc1ccc(CN(C)CC2(O)CCCC2)cc1C#N ZINC000124280129 187130212 /nfs/dbraw/zinc/13/02/12/187130212.db2.gz MNHGIZHKYUJVMZ-UHFFFAOYSA-N 0 3 274.364 2.304 20 30 CEEDHN C[C@@H](NCc1ccc(C#N)o1)[C@H](O)Cc1ccccc1 ZINC000123244569 187080185 /nfs/dbraw/zinc/08/01/85/187080185.db2.gz ADXVMLCVBBFFJG-MLGOLLRUSA-N 0 3 270.332 2.233 20 30 CEEDHN Cc1nc(N[C@H]2C[C@H](C)N(C3CC3)C2)ccc1C#N ZINC000291959208 198117605 /nfs/dbraw/zinc/11/76/05/198117605.db2.gz OBEFWTCWWGKVJW-GWCFXTLKSA-N 0 3 256.353 2.299 20 30 CEEDHN C=CCC1(NCc2cn(C[C@H]3CCOC3)nn2)CCCC1 ZINC000631175583 352000829 /nfs/dbraw/zinc/00/08/29/352000829.db2.gz QJUIFNCKTUSCOO-CQSZACIVSA-N 0 3 290.411 2.293 20 30 CEEDHN C[C@H](C(=O)N1CCN(C)CC[C@H]1C)c1cccc(C#N)c1 ZINC000336475018 213345100 /nfs/dbraw/zinc/34/51/00/213345100.db2.gz HFFOEPOJUAPDFE-KGLIPLIRSA-N 0 3 285.391 2.214 20 30 CEEDHN C=CCN(C[C@H](O)COc1cccc(C)c1)C1CC1 ZINC000271532259 191196902 /nfs/dbraw/zinc/19/69/02/191196902.db2.gz XLUNTUPRARWUEU-HNNXBMFYSA-N 0 3 261.365 2.385 20 30 CEEDHN C=CCN(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000153489324 188085326 /nfs/dbraw/zinc/08/53/26/188085326.db2.gz FYDLIQLMTANUIA-UHFFFAOYSA-N 0 3 287.407 2.478 20 30 CEEDHN C=CCOc1ccc(CN(CCO)C2CC2)cc1OC ZINC000153613126 188092856 /nfs/dbraw/zinc/09/28/56/188092856.db2.gz BUDKVFMYJPVNRO-UHFFFAOYSA-N 0 3 277.364 2.217 20 30 CEEDHN CSCCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292328350 198245365 /nfs/dbraw/zinc/24/53/65/198245365.db2.gz WEGXPWSZYHFFEI-CYBMUJFWSA-N 0 3 277.393 2.159 20 30 CEEDHN CC#CCCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000156612523 188272940 /nfs/dbraw/zinc/27/29/40/188272940.db2.gz FQQVZODNFWAGEC-OAHLLOKOSA-N 0 3 289.354 2.435 20 30 CEEDHN C[C@H]1CCC(C)(C)N1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000331689892 290367889 /nfs/dbraw/zinc/36/78/89/290367889.db2.gz SKTHYDDYKDLLOT-XHDPSFHLSA-N 0 3 263.385 2.058 20 30 CEEDHN COCCOc1ccc(C#N)cc1NC1CCN(C)CC1 ZINC000157349949 188311710 /nfs/dbraw/zinc/31/17/10/188311710.db2.gz QMLMSWUSPWVLFN-UHFFFAOYSA-N 0 3 289.379 2.090 20 30 CEEDHN CN1CCC(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000073455050 363221052 /nfs/dbraw/zinc/22/10/52/363221052.db2.gz OSBIRBQJAVSUPU-CQSZACIVSA-N 0 3 291.782 2.363 20 30 CEEDHN C=CCN1CC[C@H](N(C)C[C@@H](C)CC(C)C)C1=O ZINC000337229103 366091203 /nfs/dbraw/zinc/09/12/03/366091203.db2.gz ROHHMQZCLPJPJT-KBPBESRZSA-N 0 3 252.402 2.387 20 30 CEEDHN CC(C)[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CCCO1 ZINC000292964580 198478121 /nfs/dbraw/zinc/47/81/21/198478121.db2.gz GDGNVRUIKSIUOA-IRXDYDNUSA-N 0 3 288.391 2.339 20 30 CEEDHN C=CCNC(=O)CN[C@H](c1ccc(F)cc1)C(C)C ZINC000337413162 366147838 /nfs/dbraw/zinc/14/78/38/366147838.db2.gz OHNLPFRDADFVPO-HNNXBMFYSA-N 0 3 264.344 2.415 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000132668841 366162286 /nfs/dbraw/zinc/16/22/86/366162286.db2.gz SROLKNSLCHAJHT-LSDHHAIUSA-N 0 3 258.365 2.215 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@@](C)(CO)C1CCCCC1 ZINC000132996456 366186053 /nfs/dbraw/zinc/18/60/53/366186053.db2.gz JLZPAAVCAHSQLU-KRWDZBQOSA-N 0 3 296.455 2.332 20 30 CEEDHN C=CCCN(CCOC)Cc1ccc2c(c1)OCO2 ZINC000133127743 366196596 /nfs/dbraw/zinc/19/65/96/366196596.db2.gz HZJYBJOGUFCQDG-UHFFFAOYSA-N 0 3 263.337 2.440 20 30 CEEDHN C=CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074804376 363396370 /nfs/dbraw/zinc/39/63/70/363396370.db2.gz FZJKOIMVSBVRPE-MRXNPFEDSA-N 0 3 287.407 2.478 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCCc3[nH]c(=O)ccc32)cc1 ZINC000067504162 283148328 /nfs/dbraw/zinc/14/83/28/283148328.db2.gz VKKOKFYCTOWFST-HNNXBMFYSA-N 0 3 279.343 2.414 20 30 CEEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)s2)[C@]12CCCO2 ZINC000273591269 192219517 /nfs/dbraw/zinc/21/95/17/192219517.db2.gz JUKZNXKKDFZLIK-RRFJBIMHSA-N 0 3 292.404 2.436 20 30 CEEDHN C[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CCS1 ZINC000134342771 366310850 /nfs/dbraw/zinc/31/08/50/366310850.db2.gz BOCXAPGZGUXDJN-GFCCVEGCSA-N 0 3 289.404 2.324 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@H](C(C)(C)C)CC1 ZINC000078759352 363552945 /nfs/dbraw/zinc/55/29/45/363552945.db2.gz NHJPREQUDVMNMW-ZDUSSCGKSA-N 0 3 295.427 2.146 20 30 CEEDHN N#Cc1csc(CNCC2(CO)CCCC2)c1 ZINC000135070548 366393146 /nfs/dbraw/zinc/39/31/46/366393146.db2.gz CFYWZLLGBWSSAU-UHFFFAOYSA-N 0 3 250.367 2.262 20 30 CEEDHN CC#CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000135930224 366484163 /nfs/dbraw/zinc/48/41/63/366484163.db2.gz KKGCIKLEQLHCGQ-INIZCTEOSA-N 0 3 299.418 2.316 20 30 CEEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)s2)CN1C1CC1 ZINC000151116210 366622147 /nfs/dbraw/zinc/62/21/47/366622147.db2.gz ADSKKDHHWUVYRQ-WDEREUQCSA-N 0 3 261.394 2.335 20 30 CEEDHN CCCN(Cc1ccc(C#N)cc1)[C@H]1CCCCNC1=O ZINC000297894463 200300932 /nfs/dbraw/zinc/30/09/32/200300932.db2.gz OKGXFOUCZSTIBA-INIZCTEOSA-N 0 3 285.391 2.439 20 30 CEEDHN CCN1CCC(NC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000151634458 366655397 /nfs/dbraw/zinc/65/53/97/366655397.db2.gz GEYXVEHOHREXRM-UHFFFAOYSA-N 0 3 293.317 2.051 20 30 CEEDHN C=CCNC(=O)CN1CC[C@H](c2ccccc2)[C@H]1C ZINC000177540512 189056005 /nfs/dbraw/zinc/05/60/05/189056005.db2.gz PIEHLLYDAANMQM-HIFRSBDPSA-N 0 3 258.365 2.167 20 30 CEEDHN COC(=O)[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1C1CC1 ZINC000353020458 219797782 /nfs/dbraw/zinc/79/77/82/219797782.db2.gz AVEZLXQHQYUMKD-JKSUJKDBSA-N 0 3 284.359 2.189 20 30 CEEDHN CN(CC#Cc1ccc(Cl)cc1)C(C)(C)CO ZINC000674250551 540736007 /nfs/dbraw/zinc/73/60/07/540736007.db2.gz BLDNHXUHXMGHRX-UHFFFAOYSA-N 0 3 251.757 2.394 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H](C3OCCO3)C2)s1 ZINC000179373159 189189564 /nfs/dbraw/zinc/18/95/64/189189564.db2.gz WESXPTRVZZFDFU-LLVKDONJSA-N 0 3 278.377 2.205 20 30 CEEDHN C=CCN[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179652268 189210102 /nfs/dbraw/zinc/21/01/02/189210102.db2.gz QCYGKJXQWSCBBJ-LBPRGKRZSA-N 0 3 274.364 2.181 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@@H]2CC(=O)OC)cc1 ZINC000179893282 189226527 /nfs/dbraw/zinc/22/65/27/189226527.db2.gz SFFGARDKWQRRFD-OAHLLOKOSA-N 0 3 287.359 2.226 20 30 CEEDHN COCCOC[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000180011148 189231964 /nfs/dbraw/zinc/23/19/64/189231964.db2.gz SFDPOEBYGATISY-GFCCVEGCSA-N 0 3 280.393 2.105 20 30 CEEDHN C=CCN(CC=C)C(=O)C[C@H](N)Cc1ccccc1 ZINC000579702807 366685883 /nfs/dbraw/zinc/68/58/83/366685883.db2.gz IPRGHTZGHSALBN-OAHLLOKOSA-N 0 3 258.365 2.147 20 30 CEEDHN COCC#CCN1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000677819658 541046948 /nfs/dbraw/zinc/04/69/48/541046948.db2.gz ITRNMBDDKFMCEJ-INIZCTEOSA-N 0 3 297.402 2.459 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](C)[C@@H](CO)SC)cc1 ZINC000152420397 366694843 /nfs/dbraw/zinc/69/48/43/366694843.db2.gz ABUNLNDGZMNXOE-SWLSCSKDSA-N 0 3 281.421 2.453 20 30 CEEDHN CC(C)NC(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000155713932 366821622 /nfs/dbraw/zinc/82/16/22/366821622.db2.gz HTLPLUYABJUEHC-SECBINFHSA-N 0 3 271.242 2.232 20 30 CEEDHN CCCCN(C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028708715 361676837 /nfs/dbraw/zinc/67/68/37/361676837.db2.gz MBAYYFPPYMOSKP-OAHLLOKOSA-N 0 3 271.364 2.395 20 30 CEEDHN C=CCCC[C@@H](C)Nc1nccc(N2CCOCC2)n1 ZINC000678833041 541181248 /nfs/dbraw/zinc/18/12/48/541181248.db2.gz UZFARONYAZNMNV-CYBMUJFWSA-N 0 3 276.384 2.470 20 30 CEEDHN COc1ccc(CN[C@H](C)[C@H]2CCCO2)cc1C#N ZINC000087822804 363870659 /nfs/dbraw/zinc/87/06/59/363870659.db2.gz RMOWVJZMPHVTPC-BXUZGUMPSA-N 0 3 260.337 2.224 20 30 CEEDHN COC[C@@H]1CCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000087833444 363872215 /nfs/dbraw/zinc/87/22/15/363872215.db2.gz XAPUFNZKSRGEMT-CYBMUJFWSA-N 0 3 260.337 2.035 20 30 CEEDHN Cc1cc(C)c(C#N)c(N[C@@H]2CCN(C)[C@H](C)C2)n1 ZINC000090795192 364065867 /nfs/dbraw/zinc/06/58/67/364065867.db2.gz DXYASIUEJIMANK-CHWSQXEVSA-N 0 3 258.369 2.465 20 30 CEEDHN CN(Cc1cnc2ccc(C#N)cn12)CC1CCOCC1 ZINC000093284576 364156821 /nfs/dbraw/zinc/15/68/21/364156821.db2.gz BOPYGZXAWOVWAZ-UHFFFAOYSA-N 0 3 284.363 2.064 20 30 CEEDHN C#CCOc1ccccc1CN1CC[C@]2(CCOC2)C1 ZINC000093820502 364233599 /nfs/dbraw/zinc/23/35/99/364233599.db2.gz SMOHVBUUUQNKPO-KRWDZBQOSA-N 0 3 271.360 2.311 20 30 CEEDHN CCN1CCC[C@@H]1CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094591568 364280170 /nfs/dbraw/zinc/28/01/70/364280170.db2.gz XXFYJOJWHFMIJZ-CYBMUJFWSA-N 0 3 274.324 2.363 20 30 CEEDHN C[C@@H]1CN(C[C@@H]2CCCN2CCC(C)(C)C#N)C[C@H](C)O1 ZINC000157805831 366849533 /nfs/dbraw/zinc/84/95/33/366849533.db2.gz MXSGNKWXJXABFB-XHSDSOJGSA-N 0 3 293.455 2.500 20 30 CEEDHN COC[C@H](O)CNCc1ccc(-c2ccccc2C#N)cc1 ZINC000582117125 366865194 /nfs/dbraw/zinc/86/51/94/366865194.db2.gz FOGYGPIXQKSLIT-QGZVFWFLSA-N 0 3 296.370 2.322 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CCC[C@@H]1C1CCC1)C1CC1 ZINC000102926857 364619129 /nfs/dbraw/zinc/61/91/29/364619129.db2.gz KVLFNKMGWSFVFN-GDBMZVCRSA-N 0 3 275.396 2.059 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000335291718 364679647 /nfs/dbraw/zinc/67/96/47/364679647.db2.gz YSFLVNOJDCDTKY-MLGOLLRUSA-N 0 3 270.332 2.194 20 30 CEEDHN C[C@@H]1[C@H](CO)CCCN1Cc1cc(C#N)cs1 ZINC000335633813 212349217 /nfs/dbraw/zinc/34/92/17/212349217.db2.gz NUTFJSVHPOYTDX-PWSUYJOCSA-N 0 3 250.367 2.213 20 30 CEEDHN CCN(CCNC(=O)Nc1ccc(F)c(C#N)c1)C1CC1 ZINC000111756496 364756988 /nfs/dbraw/zinc/75/69/88/364756988.db2.gz QTPLIFIRGBVFDX-UHFFFAOYSA-N 0 3 290.342 2.303 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(CC)CC2CC2)CC1 ZINC000112215936 364779687 /nfs/dbraw/zinc/77/96/87/364779687.db2.gz XZLMRCHKOCKHLU-UHFFFAOYSA-N 0 3 279.428 2.468 20 30 CEEDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(CCCC#N)C1 ZINC000112699583 364830205 /nfs/dbraw/zinc/83/02/05/364830205.db2.gz YPEIHCSXAVIJDE-ZDUSSCGKSA-N 0 3 265.401 2.164 20 30 CEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN1C ZINC000114074385 364922791 /nfs/dbraw/zinc/92/27/91/364922791.db2.gz RZJYQHHYEARKQB-INIZCTEOSA-N 0 3 285.391 2.389 20 30 CEEDHN C=CC[C@@H](CO)NCc1c(F)cccc1N1CCCC1 ZINC000680484905 541418732 /nfs/dbraw/zinc/41/87/32/541418732.db2.gz QPJCJCMRTXXJRR-ZDUSSCGKSA-N 0 3 278.371 2.453 20 30 CEEDHN C=CC[C@@H](CO)NCc1c[nH]nc1-c1ccccc1F ZINC000680483920 541418830 /nfs/dbraw/zinc/41/88/30/541418830.db2.gz DDMUKVRSVPBJMG-LBPRGKRZSA-N 0 3 275.327 2.242 20 30 CEEDHN C=CCNC(=O)CN1C[C@@H](c2ccccc2)C[C@H]1C ZINC000115554845 365012205 /nfs/dbraw/zinc/01/22/05/365012205.db2.gz NVKRFMYPSFMCDD-HIFRSBDPSA-N 0 3 258.365 2.167 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000115551866 365013250 /nfs/dbraw/zinc/01/32/50/365013250.db2.gz YYEJUOBPXOICNS-DZKIICNBSA-N 0 3 270.376 2.002 20 30 CEEDHN C=CCSCCNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000357283526 370811406 /nfs/dbraw/zinc/81/14/06/370811406.db2.gz MTXWDFAHPXJIPH-CQSZACIVSA-N 0 3 282.453 2.429 20 30 CEEDHN C[C@H](C(=O)N(C)[C@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000336035871 365321791 /nfs/dbraw/zinc/32/17/91/365321791.db2.gz LJGVJTLHDCELJO-BBRMVZONSA-N 0 3 285.391 2.214 20 30 CEEDHN C=CCc1cc(CN[C@]2(C)CCOC2)cc(OC)c1O ZINC000120194274 365387401 /nfs/dbraw/zinc/38/74/01/365387401.db2.gz MCSFTAILDUFDBJ-MRXNPFEDSA-N 0 3 277.364 2.398 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccccn3)C2)s1 ZINC000120585473 365446513 /nfs/dbraw/zinc/44/65/13/365446513.db2.gz AGLDFNRFCGYBOS-GFCCVEGCSA-N 0 3 284.388 2.383 20 30 CEEDHN CCN1CCCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000120797625 365476485 /nfs/dbraw/zinc/47/64/85/365476485.db2.gz LEXKDGCBTCGNIK-UHFFFAOYSA-N 0 3 273.380 2.094 20 30 CEEDHN C#CCCOc1ccc(CNC[C@](C)(O)CSC)cc1 ZINC000120671063 365458816 /nfs/dbraw/zinc/45/88/16/365458816.db2.gz CIEZNHPBVASCEB-INIZCTEOSA-N 0 3 293.432 2.292 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]1C[C@@H](C)O ZINC000159229243 366891721 /nfs/dbraw/zinc/89/17/21/366891721.db2.gz TZBCOKPONDVSSJ-IUODEOHRSA-N 0 3 274.364 2.302 20 30 CEEDHN C=CCCOCCNCc1ccc(OC)c(C#N)c1 ZINC000120823968 365481959 /nfs/dbraw/zinc/48/19/59/365481959.db2.gz JQUYFMPZVULLOU-UHFFFAOYSA-N 0 3 260.337 2.249 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000582419157 366909222 /nfs/dbraw/zinc/90/92/22/366909222.db2.gz NDYDASNRYTZUTF-VIFPVBQESA-N 0 3 286.257 2.060 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC[C@H]1c1ccc(COC)o1 ZINC000681039567 541492028 /nfs/dbraw/zinc/49/20/28/541492028.db2.gz MHQDQJAKWXLJGL-KBPBESRZSA-N 0 3 265.353 2.500 20 30 CEEDHN Cc1ccc(C#N)c(NCCN2CCC[C@H](C)C2)n1 ZINC000160607552 367022854 /nfs/dbraw/zinc/02/28/54/367022854.db2.gz ZQBFMIAKTFYGEY-LBPRGKRZSA-N 0 3 258.369 2.406 20 30 CEEDHN N#CC1(CCN2CCN(c3ncc[nH]3)CC2)CCCCC1 ZINC000583271171 367025373 /nfs/dbraw/zinc/02/53/73/367025373.db2.gz UFYPBMSKQKYLTA-UHFFFAOYSA-N 0 3 287.411 2.396 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCC1CCCCC1 ZINC000583913470 367114432 /nfs/dbraw/zinc/11/44/32/367114432.db2.gz ZUGSZVTUNDOUMC-CABCVRRESA-N 0 3 280.412 2.006 20 30 CEEDHN N#CCC1(CNC(=O)[C@H]2CCCN2C2CCCC2)CC1 ZINC000583850290 367104847 /nfs/dbraw/zinc/10/48/47/367104847.db2.gz CAVLIGDKPOEMNR-CQSZACIVSA-N 0 3 275.396 2.203 20 30 CEEDHN CC(C)(C)N1CCCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000584336666 367147587 /nfs/dbraw/zinc/14/75/87/367147587.db2.gz JGAOINBNJPGBGW-UHFFFAOYSA-N 0 3 294.443 2.442 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)Cc1ccc(C#N)cc1 ZINC000341051831 367149683 /nfs/dbraw/zinc/14/96/83/367149683.db2.gz FGRNDMVCCCCCSA-GJZGRUSLSA-N 0 3 299.418 2.480 20 30 CEEDHN C=CCN(Cc1ccc(S(=O)(=O)N(C)C)cc1)C1CC1 ZINC000357531902 370821676 /nfs/dbraw/zinc/82/16/76/370821676.db2.gz SAWIAERZONFCKA-UHFFFAOYSA-N 0 3 294.420 2.087 20 30 CEEDHN CC(C#N)C(=O)NCCOc1cccc2ccccc21 ZINC000357832839 370830268 /nfs/dbraw/zinc/83/02/68/370830268.db2.gz QYOAANOPJPQWTB-GFCCVEGCSA-N 0 3 268.316 2.494 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC(N2CN=NC2=O)CC1 ZINC000593981191 367204541 /nfs/dbraw/zinc/20/45/41/367204541.db2.gz YBFVXNVPLDBGFV-UHFFFAOYSA-N 0 3 297.362 2.001 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000628733775 367246349 /nfs/dbraw/zinc/24/63/49/367246349.db2.gz WVPWWIDEZSNWNP-SJKOYZFVSA-N 0 3 298.342 2.173 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000341468222 367345975 /nfs/dbraw/zinc/34/59/75/367345975.db2.gz RYQTWXHTCLJMBK-CHWSQXEVSA-N 0 3 253.390 2.077 20 30 CEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C#N)cc2)C1 ZINC000164619645 367290968 /nfs/dbraw/zinc/29/09/68/367290968.db2.gz WJJMAZPXACEMIN-CVEARBPZSA-N 0 3 283.375 2.115 20 30 CEEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)ccn1 ZINC000342438669 367409492 /nfs/dbraw/zinc/40/94/92/367409492.db2.gz IIBRVSUXLKPHPS-ZDUSSCGKSA-N 0 3 266.304 2.287 20 30 CEEDHN C=CCOc1ccccc1C(=O)NCCN(CC)C1CC1 ZINC000171140968 367486458 /nfs/dbraw/zinc/48/64/58/367486458.db2.gz ZFHJSGYXQAAREA-UHFFFAOYSA-N 0 3 288.391 2.466 20 30 CEEDHN CCN(CCNC(=O)/C=C/c1ccccc1C#N)C1CC1 ZINC000171144559 367487495 /nfs/dbraw/zinc/48/74/95/367487495.db2.gz ABLVCDXOYVEJSW-JXMROGBWSA-N 0 3 283.375 2.172 20 30 CEEDHN C[C@@H](CN1CCCCC1)NCc1cnc2ccc(C#N)cn12 ZINC000342736453 367507621 /nfs/dbraw/zinc/50/76/21/367507621.db2.gz XKIUYHMXYGDROV-AWEZNQCLSA-N 0 3 297.406 2.170 20 30 CEEDHN C=CCN1CCC(NC(=O)CCc2ccsc2)CC1 ZINC000171724375 367602720 /nfs/dbraw/zinc/60/27/20/367602720.db2.gz UCFKIVQDXNTAOE-UHFFFAOYSA-N 0 3 278.421 2.447 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(F)cc(F)c2)CC1 ZINC000171721590 367602921 /nfs/dbraw/zinc/60/29/21/367602921.db2.gz CJBYAKCTXJJHJR-UHFFFAOYSA-N 0 3 280.318 2.345 20 30 CEEDHN CC1(CO)CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000358035228 370878787 /nfs/dbraw/zinc/87/87/87/370878787.db2.gz HKNKPFVHVXYLQD-UHFFFAOYSA-N 0 3 258.365 2.347 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(C#N)cc2)CCN1C ZINC000172618729 367789157 /nfs/dbraw/zinc/78/91/57/367789157.db2.gz JKOCCEWVUJGQFR-CZUORRHYSA-N 0 3 285.391 2.042 20 30 CEEDHN COC[C@H](C)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000173666998 367932813 /nfs/dbraw/zinc/93/28/13/367932813.db2.gz MWAHNZIGHIULTO-ZDUSSCGKSA-N 0 3 274.364 2.436 20 30 CEEDHN CC[C@@H](CCO)CNC(=O)C(C#N)CCc1ccccc1 ZINC000343807188 368014950 /nfs/dbraw/zinc/01/49/50/368014950.db2.gz KTYUAUONZXAVJQ-HOCLYGCPSA-N 0 3 288.391 2.284 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N(C)C[C@@H]1CC=CCC1 ZINC000344067486 368105944 /nfs/dbraw/zinc/10/59/44/368105944.db2.gz PNKUCXIPXNUDPH-UONOGXRCSA-N 0 3 263.385 2.035 20 30 CEEDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C)C#N ZINC000344220985 368115397 /nfs/dbraw/zinc/11/53/97/368115397.db2.gz RDCSJSGIVAKSOX-NSHDSACASA-N 0 3 275.308 2.491 20 30 CEEDHN C=CCC(CC=C)C(=O)NC1CCN(CCCOC)CC1 ZINC000343947896 368086504 /nfs/dbraw/zinc/08/65/04/368086504.db2.gz QGLAOWBAHFXKQX-UHFFFAOYSA-N 0 3 294.439 2.372 20 30 CEEDHN N#Cc1ccc(CNCCCOC[C@H]2CCOC2)s1 ZINC000176974260 368256313 /nfs/dbraw/zinc/25/63/13/368256313.db2.gz LFKSXEFOTWJHRG-GFCCVEGCSA-N 0 3 280.393 2.153 20 30 CEEDHN C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000633369414 368217187 /nfs/dbraw/zinc/21/71/87/368217187.db2.gz QKHKUJDGPCKTSF-ZDUSSCGKSA-N 0 3 250.386 2.284 20 30 CEEDHN C[C@@H]1CCCN(CCNCc2cc(C#N)cs2)C1 ZINC000177685491 368279061 /nfs/dbraw/zinc/27/90/61/368279061.db2.gz SNUNJWXZRXMCBY-GFCCVEGCSA-N 0 3 263.410 2.441 20 30 CEEDHN C[C@H](CCS(C)(=O)=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000181908530 368505514 /nfs/dbraw/zinc/50/55/14/368505514.db2.gz RGSYDSHIPGCECR-NEPJUHHUSA-N 0 3 280.393 2.032 20 30 CEEDHN C[C@@H](NC[C@@]1(CCO)CCOC1)c1ccc(C#N)c(F)c1 ZINC000346180096 368580330 /nfs/dbraw/zinc/58/03/30/368580330.db2.gz LSSHEWWEYRAXTK-MLGOLLRUSA-N 0 3 292.354 2.137 20 30 CEEDHN C[C@H](C#N)CNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000182854633 368596484 /nfs/dbraw/zinc/59/64/84/368596484.db2.gz UNFLDYVTLNCCPF-SHARSMKWSA-N 0 3 292.427 2.052 20 30 CEEDHN C=CCCC1(C(=O)N2CC[C@]3(CCN(C)C3)C2)CC1 ZINC000346318743 368634926 /nfs/dbraw/zinc/63/49/26/368634926.db2.gz KFVBRVQJBCWZDL-HNNXBMFYSA-N 0 3 262.397 2.287 20 30 CEEDHN CC[C@H](CC#N)NC(=O)[C@H](C)N1CCCCCC1 ZINC000183940992 368659470 /nfs/dbraw/zinc/65/94/70/368659470.db2.gz SYHYQPKLMBDEMC-QWHCGFSZSA-N 0 3 251.374 2.059 20 30 CEEDHN C=CCNC(=O)CN(CCC)CCc1cccs1 ZINC000184510423 368700407 /nfs/dbraw/zinc/70/04/07/368700407.db2.gz LMAGCNRHCUFYFX-UHFFFAOYSA-N 0 3 266.410 2.305 20 30 CEEDHN CS[C@@H]1CCCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346450863 368679629 /nfs/dbraw/zinc/67/96/29/368679629.db2.gz XKOQIYSGRTVVNY-CHWSQXEVSA-N 0 3 295.452 2.155 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H](C)C1(C)CC1 ZINC000246130163 370912904 /nfs/dbraw/zinc/91/29/04/370912904.db2.gz MHNAMIRGWMRODR-IUODEOHRSA-N 0 3 265.401 2.161 20 30 CEEDHN C=CCC[C@H](O)CN1CCC(O)(c2ccccc2)CC1 ZINC000185478008 368812341 /nfs/dbraw/zinc/81/23/41/368812341.db2.gz JTNSQJQAVVTLOH-INIZCTEOSA-N 0 3 275.392 2.297 20 30 CEEDHN C=CCNC(=O)CN1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000347577248 368813104 /nfs/dbraw/zinc/81/31/04/368813104.db2.gz HDDJQNHQLAWGCT-CHWSQXEVSA-N 0 3 252.402 2.435 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H](C)[C@@H]1CCCOC1 ZINC000348134351 368913611 /nfs/dbraw/zinc/91/36/11/368913611.db2.gz HEKSMAIKIZCPQH-IUODEOHRSA-N 0 3 274.364 2.472 20 30 CEEDHN C=CCOCCCN[C@@H](CO)c1cccc(F)c1 ZINC000348039319 368868695 /nfs/dbraw/zinc/86/86/95/368868695.db2.gz UOFMYDBMCJCOLI-AWEZNQCLSA-N 0 3 253.317 2.041 20 30 CEEDHN CCO[C@H]1C[C@](CO)(NCc2cccc(C#N)c2)C1(C)C ZINC000186593797 369002791 /nfs/dbraw/zinc/00/27/91/369002791.db2.gz BQIIZCRUWFZAJL-DOTOQJQBSA-N 0 3 288.391 2.214 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000186691794 369020789 /nfs/dbraw/zinc/02/07/89/369020789.db2.gz GEJGBDVBDUJJLQ-FZMZJTMJSA-N 0 3 292.379 2.241 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000186699757 369022011 /nfs/dbraw/zinc/02/20/11/369022011.db2.gz QCBNMCDZXAPHKC-DGCLKSJQSA-N 0 3 265.353 2.291 20 30 CEEDHN C=C(C)CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348442913 369048125 /nfs/dbraw/zinc/04/81/25/369048125.db2.gz MBAULVCSMIRRAC-OAHLLOKOSA-N 0 3 267.332 2.275 20 30 CEEDHN CN1CCC[C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000186771546 369039170 /nfs/dbraw/zinc/03/91/70/369039170.db2.gz YBRKREWSSBPSLZ-OAHLLOKOSA-N 0 3 297.402 2.048 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000348535347 369075617 /nfs/dbraw/zinc/07/56/17/369075617.db2.gz XRFSOTKPYTWFOC-RSUWNVLCSA-N 0 3 288.391 2.220 20 30 CEEDHN C=CCCOCCNCc1ccc2c(c1)CCC(=O)N2C ZINC000187341040 369142644 /nfs/dbraw/zinc/14/26/44/369142644.db2.gz PBLSCRSRIDFGGS-UHFFFAOYSA-N 0 3 288.391 2.278 20 30 CEEDHN CN(CC(=O)NCc1cccc(C#N)c1)C1CCCCC1 ZINC000330688398 203119515 /nfs/dbraw/zinc/11/95/15/203119515.db2.gz DCQOMOQIZKSHPQ-UHFFFAOYSA-N 0 3 285.391 2.439 20 30 CEEDHN O=c1[nH]c2ccccc2cc1C=NCCN1CCCOCC1 ZINC000187741976 369215224 /nfs/dbraw/zinc/21/52/24/369215224.db2.gz BSQWNEACGXQZBQ-QGOAFFKASA-N 0 3 299.374 2.082 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@H](C)OC)C(C)C ZINC000276080077 193206995 /nfs/dbraw/zinc/20/69/95/193206995.db2.gz UKXFKXTVOIVDCW-LSDHHAIUSA-N 0 3 297.443 2.019 20 30 CEEDHN CC(=O)Nc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000349821568 369410619 /nfs/dbraw/zinc/41/06/19/369410619.db2.gz MKAZCPPXWVSIAG-ZFWWWQNUSA-N 0 3 257.337 2.427 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(-n3cncn3)cc2)C1 ZINC000349823014 369411925 /nfs/dbraw/zinc/41/19/25/369411925.db2.gz RYHKCHWXLRZVJV-ZIAGYGMSSA-N 0 3 267.336 2.049 20 30 CEEDHN CC1(C)C[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349853490 369424342 /nfs/dbraw/zinc/42/43/42/369424342.db2.gz MDHZJHYMVVBRQS-HUUCEWRRSA-N 0 3 281.359 2.403 20 30 CEEDHN N#Cc1cccc(C2(NCCOCC(F)F)CC2)c1 ZINC000276213813 193245306 /nfs/dbraw/zinc/24/53/06/193245306.db2.gz LARMOXRFMVFUPS-UHFFFAOYSA-N 0 3 266.291 2.419 20 30 CEEDHN CN(CC#Cc1cccc(Cl)c1)CCCCO ZINC000276449634 193334757 /nfs/dbraw/zinc/33/47/57/193334757.db2.gz VUEDPSRYEACVQY-UHFFFAOYSA-N 0 3 251.757 2.396 20 30 CEEDHN N#Cc1ccc(CN2CCN(CC[C@@H]3CCCO3)CC2)cc1 ZINC000276395964 193315460 /nfs/dbraw/zinc/31/54/60/193315460.db2.gz SVIRYIUHGLEYRS-SFHVURJKSA-N 0 3 299.418 2.245 20 30 CEEDHN C=CCCCCNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000351644224 369646669 /nfs/dbraw/zinc/64/66/69/369646669.db2.gz JTGLMZVHJJCFIN-OCCSQVGLSA-N 0 3 265.401 2.125 20 30 CEEDHN C=CCCN(C)Cc1cc(=O)n2cccc(C)c2n1 ZINC000276432557 193328950 /nfs/dbraw/zinc/32/89/50/193328950.db2.gz NUIOSPKYPSWVJX-UHFFFAOYSA-N 0 3 257.337 2.011 20 30 CEEDHN C=CCN(CCN1CCO[C@@H](C)C1)Cc1ccccc1 ZINC000191396378 369709312 /nfs/dbraw/zinc/70/93/12/369709312.db2.gz AVGBHAZPPMFSPH-INIZCTEOSA-N 0 3 274.408 2.395 20 30 CEEDHN C[C@@H]1CCN(Cc2cc(C#N)n(C)c2)C[C@@H]1n1ccnc1 ZINC000191442947 369714459 /nfs/dbraw/zinc/71/44/59/369714459.db2.gz XTPJZKBDLXUSFF-CJNGLKHVSA-N 0 3 283.379 2.176 20 30 CEEDHN C[C@H](NCc1cc(C#N)n(C)c1)[C@H](O)c1cccc(F)c1 ZINC000276656599 193417871 /nfs/dbraw/zinc/41/78/71/193417871.db2.gz VFBXJNOIZUBWKG-ZBEGNZNMSA-N 0 3 287.338 2.248 20 30 CEEDHN C[C@@H](CNCc1nc(C#N)cs1)N1CCCC[C@@H]1C ZINC000352820911 369895216 /nfs/dbraw/zinc/89/52/16/369895216.db2.gz DYQJNJHKBUBKKQ-RYUDHWBXSA-N 0 3 278.425 2.367 20 30 CEEDHN CN(C)[C@@H](CNCc1nc(C#N)cs1)c1ccccc1 ZINC000352851913 369914732 /nfs/dbraw/zinc/91/47/32/369914732.db2.gz JBYXNGHFWREXRL-AWEZNQCLSA-N 0 3 286.404 2.407 20 30 CEEDHN CC(C)(C)[C@H]1NC(=O)CC[C@H]1NCc1ccc(C#N)s1 ZINC000353123754 370027026 /nfs/dbraw/zinc/02/70/26/370027026.db2.gz XLRIXRPPWMHFRE-OCCSQVGLSA-N 0 3 291.420 2.403 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](C)C(C)(C)C1 ZINC000354024116 370184185 /nfs/dbraw/zinc/18/41/85/370184185.db2.gz KROSWQLXJSZVNZ-OLZOCXBDSA-N 0 3 265.401 2.115 20 30 CEEDHN CN(c1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000354086217 370211169 /nfs/dbraw/zinc/21/11/69/370211169.db2.gz NSXLMRNDVLPQSK-ZDUSSCGKSA-N 0 3 286.335 2.139 20 30 CEEDHN C[C@H](O)C1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000225789676 370319586 /nfs/dbraw/zinc/31/95/86/370319586.db2.gz PUZQDKKVFLQXSR-ZDUSSCGKSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@@H]1CSCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000226394423 370339509 /nfs/dbraw/zinc/33/95/09/370339509.db2.gz XYJCKULYCXAVRH-BXUZGUMPSA-N 0 3 262.378 2.029 20 30 CEEDHN C[C@@H](N[C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(C#N)cc1 ZINC000348970694 296158105 /nfs/dbraw/zinc/15/81/05/296158105.db2.gz XFPPCGMYAZGRGT-VXGBXAGGSA-N 0 3 292.404 2.175 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000355480671 370569121 /nfs/dbraw/zinc/56/91/21/370569121.db2.gz QMBVUBITLROTPH-SWLSCSKDSA-N 0 3 265.401 2.163 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](C(C)C)CC1 ZINC000246809093 371013931 /nfs/dbraw/zinc/01/39/31/371013931.db2.gz UQFKTKUXLDINCL-ZIAGYGMSSA-N 0 3 252.402 2.435 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(OC)ns1 ZINC000639145421 371020554 /nfs/dbraw/zinc/02/05/54/371020554.db2.gz KYSVOZXNIPIWIF-MFKMUULPSA-N 0 3 268.382 2.223 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cnc(OC)s1 ZINC000639145911 371020668 /nfs/dbraw/zinc/02/06/68/371020668.db2.gz OACPDSIHTOFECB-CMPLNLGQSA-N 0 3 268.382 2.223 20 30 CEEDHN CC[C@@H](C)CN(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000247485000 371114438 /nfs/dbraw/zinc/11/44/38/371114438.db2.gz GEKDELYFZGKYPX-TZMCWYRMSA-N 0 3 253.390 2.019 20 30 CEEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@@H](C)N1C ZINC000358731763 371195704 /nfs/dbraw/zinc/19/57/04/371195704.db2.gz DDLIEUGFLFJRMV-INMHGKMJSA-N 0 3 299.418 2.310 20 30 CEEDHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CCOc1cccc(C#N)c1 ZINC000249027898 371283603 /nfs/dbraw/zinc/28/36/03/371283603.db2.gz LDFMXJNAUPVAMD-AGGWBTHJSA-N 0 3 274.364 2.171 20 30 CEEDHN N#Cc1ccc(Cl)cc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252542250 371454804 /nfs/dbraw/zinc/45/48/04/371454804.db2.gz FSMSRBXTPZRTMI-KBPBESRZSA-N 0 3 291.782 2.487 20 30 CEEDHN C=CCCCCN[C@@H](c1nccn1C)C(C)(C)CO ZINC000639774179 371559794 /nfs/dbraw/zinc/55/97/94/371559794.db2.gz ZJOXBKDAOPZCRH-ZDUSSCGKSA-N 0 3 265.401 2.426 20 30 CEEDHN C(#Cc1ccccc1)CN1CCC[C@H](n2ccnn2)CC1 ZINC000639818177 371594986 /nfs/dbraw/zinc/59/49/86/371594986.db2.gz MQRGBXBXWSBFMG-KRWDZBQOSA-N 0 3 280.375 2.357 20 30 CEEDHN C=CCNC(=O)CN1CC[C@@]1(C)C1CCCCC1 ZINC000640218762 371875257 /nfs/dbraw/zinc/87/52/57/371875257.db2.gz IGKZHTXMWSOXKR-HNNXBMFYSA-N 0 3 250.386 2.333 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CO)C2CCOCC2)c(Cl)c1 ZINC000361593407 371961771 /nfs/dbraw/zinc/96/17/71/371961771.db2.gz HMSBXZXHJMNIAA-HNNXBMFYSA-N 0 3 294.782 2.089 20 30 CEEDHN CNC(=O)C[C@H](NCCCSCC#N)c1ccccc1 ZINC000361637106 371992167 /nfs/dbraw/zinc/99/21/67/371992167.db2.gz JLVCLUIANVBOPK-AWEZNQCLSA-N 0 3 291.420 2.100 20 30 CEEDHN CN(Cc1ccc(C#N)c(F)c1)C1(CCO)CCOCC1 ZINC000361867006 372106608 /nfs/dbraw/zinc/10/66/08/372106608.db2.gz DOMBZEALUAUTTQ-UHFFFAOYSA-N 0 3 292.354 2.061 20 30 CEEDHN CN(C[C@H](O)c1ccc(C#N)cc1)[C@@H](CO)c1ccccc1 ZINC000268741048 372203392 /nfs/dbraw/zinc/20/33/92/372203392.db2.gz ZNMQGYXEMHSQAJ-ROUUACIJSA-N 0 3 296.370 2.257 20 30 CEEDHN C[C@@H](C(=O)N[C@@H](C)C1=CCN(C)CC1)c1cccc(C#N)c1 ZINC000362226553 372276046 /nfs/dbraw/zinc/27/60/46/372276046.db2.gz HVZALBNTEGNDNQ-KGLIPLIRSA-N 0 3 297.402 2.428 20 30 CEEDHN CC(C)[C@H](O)CCNCc1ccc(C#N)cc1F ZINC000344435127 217190971 /nfs/dbraw/zinc/19/09/71/217190971.db2.gz DZOFZVRZZLYJAB-CQSZACIVSA-N 0 3 250.317 2.194 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccnn1-c1ccccc1 ZINC000641760861 372697816 /nfs/dbraw/zinc/69/78/16/372697816.db2.gz XYPQLWIYJKLCFR-AWEZNQCLSA-N 0 3 271.364 2.289 20 30 CEEDHN C=CCC[C@H](CO)NCc1cnc2ccc(Cl)cn12 ZINC000641759528 372698835 /nfs/dbraw/zinc/69/88/35/372698835.db2.gz FODBMAZJQLRALD-GFCCVEGCSA-N 0 3 279.771 2.404 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cc(O)cc(C(F)(F)F)c1 ZINC000641768131 372707560 /nfs/dbraw/zinc/70/75/60/372707560.db2.gz XATIKVPBRALPBD-LBPRGKRZSA-N 0 3 287.281 2.275 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cc(Cl)c(OC)c(OC)c1 ZINC000641768603 372710616 /nfs/dbraw/zinc/71/06/16/372710616.db2.gz DDJHIRXTVIJJJI-LBPRGKRZSA-N 0 3 297.782 2.221 20 30 CEEDHN C#CCNC(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000366181254 373001268 /nfs/dbraw/zinc/00/12/68/373001268.db2.gz XNBIELDJKOVWCT-WBVHZDCISA-N 0 3 299.418 2.487 20 30 CEEDHN N#C[C@H]1N(CCN2CCCCC2)CCC[C@@]12CCCCO2 ZINC000366101308 372988527 /nfs/dbraw/zinc/98/85/27/372988527.db2.gz ZYVJSIJQWWKYQE-SJORKVTESA-N 0 3 291.439 2.400 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CCCN1C ZINC000353537650 220145407 /nfs/dbraw/zinc/14/54/07/220145407.db2.gz IGBIWLZKOITAER-CZUORRHYSA-N 0 3 297.402 2.189 20 30 CEEDHN C#CCCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000271039968 373085551 /nfs/dbraw/zinc/08/55/51/373085551.db2.gz MSFPYUGVGMAXPM-UHFFFAOYSA-N 0 3 267.376 2.089 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H](N3CCCCC3)C2)o1 ZINC000271183886 373166688 /nfs/dbraw/zinc/16/66/88/373166688.db2.gz YHQYNUIJGWNUCW-CYBMUJFWSA-N 0 3 259.353 2.211 20 30 CEEDHN C=CCOc1cccc(NC(=O)[C@H]2NCC2(C)C)c1 ZINC000644016159 373341040 /nfs/dbraw/zinc/34/10/40/373341040.db2.gz PWQDFRXNDSUKEV-CYBMUJFWSA-N 0 3 260.337 2.188 20 30 CEEDHN C=CCN(CCC(=O)NC(C)C)CCc1ccco1 ZINC000272282876 373408130 /nfs/dbraw/zinc/40/81/30/373408130.db2.gz MYVRZODWGSPOTO-UHFFFAOYSA-N 0 3 264.369 2.225 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@H](O)COC(C)C ZINC000272287784 373410164 /nfs/dbraw/zinc/41/01/64/373410164.db2.gz NREQJPLTLIMTJB-AWEZNQCLSA-N 0 3 267.369 2.096 20 30 CEEDHN C=CCOCCN[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000272498378 373518722 /nfs/dbraw/zinc/51/87/22/373518722.db2.gz DKJFWFHAHBGDRA-CYBMUJFWSA-N 0 3 290.363 2.496 20 30 CEEDHN Cn1ccnc1[C@H]1CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000369685036 373488821 /nfs/dbraw/zinc/48/88/21/373488821.db2.gz ZEQNTKJVKWZINA-AWEZNQCLSA-N 0 3 283.379 2.010 20 30 CEEDHN C=CCc1cc(CN2CC[C@@H]([C@H](C)O)C2)cc(OC)c1O ZINC000272580549 373562059 /nfs/dbraw/zinc/56/20/59/373562059.db2.gz XZASKMJIOZWCDN-SWLSCSKDSA-N 0 3 291.391 2.332 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000272855030 373681732 /nfs/dbraw/zinc/68/17/32/373681732.db2.gz LVAOPYDWFGTTDW-CJNGLKHVSA-N 0 3 293.432 2.419 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H](C)CCC=C(C)C ZINC000272878400 373692071 /nfs/dbraw/zinc/69/20/71/373692071.db2.gz QDDYTDNZJIXPNI-CYBMUJFWSA-N 0 3 259.415 2.312 20 30 CEEDHN CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cc1 ZINC000371149228 373801453 /nfs/dbraw/zinc/80/14/53/373801453.db2.gz SHCTYHFLHGENAP-XYPWUTKMSA-N 0 3 256.349 2.436 20 30 CEEDHN CCCN(C(=O)NCC#Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC000645142950 373875228 /nfs/dbraw/zinc/87/52/28/373875228.db2.gz ABPLZVAFVJEFDS-QGZVFWFLSA-N 0 3 299.418 2.164 20 30 CEEDHN C=C(C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000275052149 374139373 /nfs/dbraw/zinc/13/93/73/374139373.db2.gz WGSNADBTRBKMTL-OAHLLOKOSA-N 0 3 273.380 2.136 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000684126361 541930201 /nfs/dbraw/zinc/93/02/01/541930201.db2.gz UEYZODMMBZXPQP-ZDUSSCGKSA-N 0 3 267.417 2.324 20 30 CEEDHN C#CCN(C)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000277023985 374381587 /nfs/dbraw/zinc/38/15/87/374381587.db2.gz RJQOOMJTIIVASC-WBVHZDCISA-N 0 3 273.376 2.007 20 30 CEEDHN CC#CC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000277354547 374490053 /nfs/dbraw/zinc/49/00/53/374490053.db2.gz FKMNCUPEYAEUOV-ZDUSSCGKSA-N 0 3 258.365 2.255 20 30 CEEDHN C#CCC(CC#C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000277320027 374477556 /nfs/dbraw/zinc/47/75/56/374477556.db2.gz FUXNMLBHTBNYHY-UHFFFAOYSA-N 0 3 282.387 2.027 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)CCOCC ZINC000277519838 374551322 /nfs/dbraw/zinc/55/13/22/374551322.db2.gz NWFWVCHIDLFUJR-INIZCTEOSA-N 0 3 293.407 2.471 20 30 CEEDHN C[C@@H]1CN(CCCNc2ccc(C#N)cc2)CCCO1 ZINC000278257209 374763275 /nfs/dbraw/zinc/76/32/75/374763275.db2.gz VGELNTNCZGTOIF-CQSZACIVSA-N 0 3 273.380 2.471 20 30 CEEDHN Cn1cc(CN[C@@H]2c3ccccc3CC[C@@H]2CO)cc1C#N ZINC000377025217 374775594 /nfs/dbraw/zinc/77/55/94/374775594.db2.gz QJXQGNKEASLZIN-QAPCUYQASA-N 0 3 295.386 2.282 20 30 CEEDHN N#Cc1ccc(NC(=O)C2CCN(C3CC3)CC2)cc1C#N ZINC000278330320 374781716 /nfs/dbraw/zinc/78/17/16/374781716.db2.gz KTSYTSLSYJKMDF-UHFFFAOYSA-N 0 3 294.358 2.243 20 30 CEEDHN CC[C@H](NCCNC(=O)C1CC1)c1ccc(C#N)cc1 ZINC000278345287 374787093 /nfs/dbraw/zinc/78/70/93/374787093.db2.gz YFXQRDRJTCFASU-HNNXBMFYSA-N 0 3 271.364 2.125 20 30 CEEDHN C[C@H]1CN(C2CCOCC2)CCN1CC#Cc1ccccc1 ZINC000278666955 374833811 /nfs/dbraw/zinc/83/38/11/374833811.db2.gz NUMCQXNJPGHLPV-KRWDZBQOSA-N 0 3 298.430 2.223 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc(OC)n1 ZINC000280546597 375240040 /nfs/dbraw/zinc/24/00/40/375240040.db2.gz DJFNPSDCZXRNSM-WFASDCNBSA-N 0 3 262.353 2.161 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000280727466 375298384 /nfs/dbraw/zinc/29/83/84/375298384.db2.gz JNWGOCZPQSZRNK-LBPRGKRZSA-N 0 3 289.379 2.310 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nccc(C#N)n1 ZINC000389963497 375309371 /nfs/dbraw/zinc/30/93/71/375309371.db2.gz WRNNXTZVFKMDOE-CJNGLKHVSA-N 0 3 293.374 2.281 20 30 CEEDHN C[C@@H](Nc1cnc(C#N)cn1)[C@@H](c1ccccc1)N(C)C ZINC000280657367 375273706 /nfs/dbraw/zinc/27/37/06/375273706.db2.gz AYWOGVULBCLBLK-WBMJQRKESA-N 0 3 281.363 2.452 20 30 CEEDHN N#C[C@H]1CC[C@H](N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000407993970 375391936 /nfs/dbraw/zinc/39/19/36/375391936.db2.gz XEDKKNZHWIXWRP-AAEUAGOBSA-N 0 3 289.339 2.120 20 30 CEEDHN C[C@H]1C[C@@H](Nc2ccnc(C#N)c2)CN1Cc1ccccc1 ZINC000398118870 375347291 /nfs/dbraw/zinc/34/72/91/375347291.db2.gz GOOONNMPFRHCMQ-KBXCAEBGSA-N 0 3 292.386 2.450 20 30 CEEDHN CNC(=O)[C@]1(C)CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000281180290 375361308 /nfs/dbraw/zinc/36/13/08/375361308.db2.gz QSRSDUWLIRXHPW-MRXNPFEDSA-N 0 3 290.794 2.150 20 30 CEEDHN C=CC[C@H](CC)NCc1cn(Cc2cccnc2)nn1 ZINC000281364268 375374439 /nfs/dbraw/zinc/37/44/39/375374439.db2.gz NKSDGHINZAKXIA-AWEZNQCLSA-N 0 3 271.368 2.166 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCCC(F)(F)[C@@H]2O)C1 ZINC000414309331 375828889 /nfs/dbraw/zinc/82/88/89/375828889.db2.gz XQVZVECYMMVWIG-WISYIIOYSA-N 0 3 258.312 2.207 20 30 CEEDHN C=CCSCCNCc1ccc(S(C)(=O)=O)s1 ZINC000414328998 375832589 /nfs/dbraw/zinc/83/25/89/375832589.db2.gz OPBWHBUTQVNBFX-UHFFFAOYSA-N 0 3 291.463 2.160 20 30 CEEDHN COc1cc(CN2CCC[C@H](CO)[C@@H]2C)ccc1C#N ZINC000414587490 375871044 /nfs/dbraw/zinc/87/10/44/375871044.db2.gz VFIHEZXXYJUHQT-SWLSCSKDSA-N 0 3 274.364 2.160 20 30 CEEDHN C=C(C)CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415978824 376030489 /nfs/dbraw/zinc/03/04/89/376030489.db2.gz VQGKVJLFVOAHFH-UHFFFAOYSA-N 0 3 275.352 2.256 20 30 CEEDHN CN(C)CC1(NC(=O)Nc2ccc(C#N)c(F)c2)CCC1 ZINC000289744892 376478570 /nfs/dbraw/zinc/47/85/70/376478570.db2.gz KTACHULLJOIZIM-UHFFFAOYSA-N 0 3 290.342 2.303 20 30 CEEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1ccc(C#N)o1 ZINC000289678334 376443506 /nfs/dbraw/zinc/44/35/06/376443506.db2.gz NUYOLFKHBBLGMQ-FQOPFDEGSA-N 0 3 258.321 2.006 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419389851 376450288 /nfs/dbraw/zinc/45/02/88/376450288.db2.gz HRHZXLRKBZOART-UKTARXLSSA-N 0 3 265.401 2.017 20 30 CEEDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000556826391 376498195 /nfs/dbraw/zinc/49/81/95/376498195.db2.gz IZQVZGOBFRTTJX-CQSZACIVSA-N 0 3 289.354 2.254 20 30 CEEDHN CCCN(CCN1CCCC1)C(=O)NCC1(C#N)CCC1 ZINC000419637442 376489283 /nfs/dbraw/zinc/48/92/83/376489283.db2.gz IFIOWRBPATZSTE-UHFFFAOYSA-N 0 3 292.427 2.198 20 30 CEEDHN C=C[C@H](CO)N[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000289995491 376595086 /nfs/dbraw/zinc/59/50/86/376595086.db2.gz YSJIJEVKTAVHNU-BPLDGKMQSA-N 0 3 261.365 2.369 20 30 CEEDHN Cc1cc(F)cc2c1ncc(C#N)c2N1CCN[C@@H](C)C1 ZINC000420235010 376641939 /nfs/dbraw/zinc/64/19/39/376641939.db2.gz IDGWYHXTAKSESX-NSHDSACASA-N 0 3 284.338 2.352 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNc1cncc(C#N)n1 ZINC000420596021 376691246 /nfs/dbraw/zinc/69/12/46/376691246.db2.gz GSNQJPVXDVEGNN-VXGBXAGGSA-N 0 3 259.357 2.023 20 30 CEEDHN COC1([C@H](C)NCC#Cc2ccc(F)cc2)CCOCC1 ZINC000421031992 376792342 /nfs/dbraw/zinc/79/23/42/376792342.db2.gz LBXZZSGSJUUJTE-AWEZNQCLSA-N 0 3 291.366 2.351 20 30 CEEDHN CN1CC[C@@H](CNc2ncccc2C#N)[C@@H]1c1cccnc1 ZINC000328632140 376867013 /nfs/dbraw/zinc/86/70/13/376867013.db2.gz RQEMHOHVMCVQKZ-HOTGVXAUSA-N 0 3 293.374 2.453 20 30 CEEDHN CCN(C)CCNc1nc(C)c(C#N)cc1Cl ZINC000290871383 376962291 /nfs/dbraw/zinc/96/22/91/376962291.db2.gz AZEWOIFTKHTMIS-UHFFFAOYSA-N 0 3 252.749 2.279 20 30 CEEDHN Cn1cc(CN2CC[C@](CO)(c3ccccc3)C2)cc1C#N ZINC000291029779 377040128 /nfs/dbraw/zinc/04/01/28/377040128.db2.gz BGQMMNUDKDATBV-SFHVURJKSA-N 0 3 295.386 2.033 20 30 CEEDHN C#Cc1ccccc1CC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000290955448 376999871 /nfs/dbraw/zinc/99/98/71/376999871.db2.gz BPQXISCVOKBXHL-OAHLLOKOSA-N 0 3 284.403 2.011 20 30 CEEDHN C[C@H]1CCC[C@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000330423823 377126234 /nfs/dbraw/zinc/12/62/34/377126234.db2.gz ZLBSFSRBQKWAJT-SMDDNHRTSA-N 0 3 257.337 2.275 20 30 CEEDHN C[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000330423821 377126430 /nfs/dbraw/zinc/12/64/30/377126430.db2.gz ZLBSFSRBQKWAJT-FZMZJTMJSA-N 0 3 257.337 2.275 20 30 CEEDHN CN(CCNc1cccc(-n2cccn2)c1C#N)C1CC1 ZINC000563418137 377215708 /nfs/dbraw/zinc/21/57/08/377215708.db2.gz QRRDEOVIZXLICK-UHFFFAOYSA-N 0 3 281.363 2.250 20 30 CEEDHN Cc1nnc(SC[C@@H](C)N(C)C)c(C#N)c1C ZINC000331071189 377268621 /nfs/dbraw/zinc/26/86/21/377268621.db2.gz DBXRNCIKBGGSMP-MRVPVSSYSA-N 0 3 250.371 2.007 20 30 CEEDHN Cc1nc(N2CC[C@]3(C2)CCCN(C)C3)ccc1C#N ZINC000292873527 377324226 /nfs/dbraw/zinc/32/42/26/377324226.db2.gz TZNSABPZMONFRQ-MRXNPFEDSA-N 0 3 270.380 2.184 20 30 CEEDHN C[C@H]1CCC[C@]1(O)CNCc1ccc(C#N)cc1F ZINC000292887982 377334691 /nfs/dbraw/zinc/33/46/91/377334691.db2.gz CRXAGDJMFKMENY-NHYWBVRUSA-N 0 3 262.328 2.338 20 30 CEEDHN C=CCC1(C(=O)N(C)C[C@H]2CCCN(C)C2)CCOCC1 ZINC000424659529 377280104 /nfs/dbraw/zinc/28/01/04/377280104.db2.gz BIVLKOXOBASYJP-HNNXBMFYSA-N 0 3 294.439 2.160 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000424658625 377280211 /nfs/dbraw/zinc/28/02/11/377280211.db2.gz FCQFDZACYBTHDD-ZDUSSCGKSA-N 0 3 250.386 2.284 20 30 CEEDHN CCOC1(CNCc2cc(C#N)n(C)c2)CCCC1 ZINC000292966660 377373822 /nfs/dbraw/zinc/37/38/22/377373822.db2.gz LWJWZXJXBBWOSA-UHFFFAOYSA-N 0 3 261.369 2.336 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@@H](CO)[C@H]1C ZINC000425995389 377390762 /nfs/dbraw/zinc/39/07/62/377390762.db2.gz UYOAJYBFLAYYGE-HIFRSBDPSA-N 0 3 261.365 2.454 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000685582036 542162530 /nfs/dbraw/zinc/16/25/30/542162530.db2.gz ZHBZWEJJFCHCFS-HRCADAONSA-N 0 3 296.361 2.237 20 30 CEEDHN CCN(C(=O)C(C#N)CCc1ccccc1)[C@H]1CCOC1 ZINC000428564212 377495382 /nfs/dbraw/zinc/49/53/82/377495382.db2.gz DOHFDBBFLKFVOY-HOTGVXAUSA-N 0 3 286.375 2.396 20 30 CEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)N1CCCCCC1 ZINC000429732077 377520398 /nfs/dbraw/zinc/52/03/98/377520398.db2.gz VAYQWJBVDFJZHS-MRXNPFEDSA-N 0 3 295.471 2.217 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1ncn(-c2ccccc2)n1 ZINC000429714777 377520647 /nfs/dbraw/zinc/52/06/47/377520647.db2.gz HDCZYPFSBJHPDN-UHFFFAOYSA-N 0 3 299.422 2.207 20 30 CEEDHN C[C@H](CNC(=O)NCC1(CC#N)CC1)N1CCC[C@@H](C)C1 ZINC000430175625 377525516 /nfs/dbraw/zinc/52/55/16/377525516.db2.gz FLJUNJPDIDSLKB-ZIAGYGMSSA-N 0 3 292.427 2.100 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](CSC)C1 ZINC000429273010 377513644 /nfs/dbraw/zinc/51/36/44/377513644.db2.gz FJJHPVGQCAEINW-KGLIPLIRSA-N 0 3 297.468 2.070 20 30 CEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCC1(CC#N)CC1 ZINC000430422612 377530749 /nfs/dbraw/zinc/53/07/49/377530749.db2.gz DGGYQBLJEUPDMY-ZIAGYGMSSA-N 0 3 292.427 2.100 20 30 CEEDHN C#CCN(CC)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000265165002 190163182 /nfs/dbraw/zinc/16/31/82/190163182.db2.gz NLHSRPCWMXUMNI-KRWDZBQOSA-N 0 3 299.418 2.316 20 30 CEEDHN CC[C@H](C(=O)NCC#Cc1ccccc1)N(CC)CC ZINC000265417758 190180501 /nfs/dbraw/zinc/18/05/01/190180501.db2.gz HNVUVWGRVHQUPD-MRXNPFEDSA-N 0 3 272.392 2.275 20 30 CEEDHN COc1cc(CN2CC[C@H](O)C23CCCC3)ccc1C#N ZINC000293513957 377602030 /nfs/dbraw/zinc/60/20/30/377602030.db2.gz AIKMCLNKIZPOMH-INIZCTEOSA-N 0 3 286.375 2.446 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)NCC2(CC#N)CC2)C1 ZINC000431199766 377616966 /nfs/dbraw/zinc/61/69/66/377616966.db2.gz UTNFXOARPRQWLA-UHFFFAOYSA-N 0 3 292.427 2.101 20 30 CEEDHN COc1cc(CNC[C@@H](OC)C(C)C)ccc1C#N ZINC000281665492 249358196 /nfs/dbraw/zinc/35/81/96/249358196.db2.gz LDPSTELRHTXYEA-OAHLLOKOSA-N 0 3 262.353 2.327 20 30 CEEDHN C[C@H](CC#N)N(C)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000431852978 377677722 /nfs/dbraw/zinc/67/77/22/377677722.db2.gz ZRGSZJJYOMNPOY-UKRRQHHQSA-N 0 3 273.380 2.440 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(C)noc1C ZINC000435749411 377810358 /nfs/dbraw/zinc/81/03/58/377810358.db2.gz UAZPERQXSMHYDN-JSGCOSHPSA-N 0 3 250.342 2.362 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@@H](C)C2)CC1 ZINC000435980725 377814096 /nfs/dbraw/zinc/81/40/96/377814096.db2.gz TZCOQTRNUJPCAZ-TZMCWYRMSA-N 0 3 265.401 2.125 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2CC[C@H](C)C2)CC1 ZINC000435980722 377815030 /nfs/dbraw/zinc/81/50/30/377815030.db2.gz TZCOQTRNUJPCAZ-JSGCOSHPSA-N 0 3 265.401 2.125 20 30 CEEDHN CC(C)(O)[C@@H]1CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567505233 377831842 /nfs/dbraw/zinc/83/18/42/377831842.db2.gz RGGUKDMMRQZEDI-AWEZNQCLSA-N 0 3 289.335 2.202 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000333593709 377795407 /nfs/dbraw/zinc/79/54/07/377795407.db2.gz TXRZVMZBSZSEIW-RHSMWYFYSA-N 0 3 289.423 2.451 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000437822337 377868193 /nfs/dbraw/zinc/86/81/93/377868193.db2.gz OJSXHRNMOZNUSD-NVXWUHKLSA-N 0 3 296.455 2.452 20 30 CEEDHN CC(C)O[C@@H]1CCN(CCOc2ccc(C#N)cc2)C1 ZINC000567585199 377846383 /nfs/dbraw/zinc/84/63/83/377846383.db2.gz UIJKUHWBHXWWLC-MRXNPFEDSA-N 0 3 274.364 2.436 20 30 CEEDHN C[C@@H](N(C)CC(=O)NCc1ccc(C#N)cc1)C1(C)CC1 ZINC000437527939 377849308 /nfs/dbraw/zinc/84/93/08/377849308.db2.gz MZDZLIPSJCVDSF-CYBMUJFWSA-N 0 3 285.391 2.295 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccccc1Cl ZINC000294118091 377910889 /nfs/dbraw/zinc/91/08/89/377910889.db2.gz ZNVGBBCTSRRGJX-UHFFFAOYSA-N 0 3 264.756 2.025 20 30 CEEDHN COc1cc(NCCN[C@@H]2CC[C@@H](C#N)C2)cc(OC)c1 ZINC000442841095 378005993 /nfs/dbraw/zinc/00/59/93/378005993.db2.gz FMXIXOLQULTNKN-CHWSQXEVSA-N 0 3 289.379 2.398 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccsc2C)CC1 ZINC000294668365 378006759 /nfs/dbraw/zinc/00/67/59/378006759.db2.gz QWTPIKUTXBRNDL-UHFFFAOYSA-N 0 3 264.394 2.437 20 30 CEEDHN C#CCNC(=O)CCN1CCC(c2ccsc2)CC1 ZINC000294699840 378014659 /nfs/dbraw/zinc/01/46/59/378014659.db2.gz UKVOSQGMIRCGHI-UHFFFAOYSA-N 0 3 276.405 2.067 20 30 CEEDHN C=CCOCCN1CCC(Oc2ccc(F)nc2)CC1 ZINC000294419785 377986400 /nfs/dbraw/zinc/98/64/00/377986400.db2.gz DKOINHCGXRKGEX-UHFFFAOYSA-N 0 3 280.343 2.267 20 30 CEEDHN COC(=O)c1occc1CNCC1CCC(C#N)CC1 ZINC000443066623 378033731 /nfs/dbraw/zinc/03/37/31/378033731.db2.gz KFPCKLOLZCKCCP-UHFFFAOYSA-N 0 3 276.336 2.486 20 30 CEEDHN CCN1CCC[C@@H]1CNc1ccc(C(F)(F)F)c(C#N)n1 ZINC000443411203 378050915 /nfs/dbraw/zinc/05/09/15/378050915.db2.gz QPGKHIRPMOUDOA-SNVBAGLBSA-N 0 3 298.312 2.290 20 30 CEEDHN C#CCO[C@H](C)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000295249746 378070029 /nfs/dbraw/zinc/07/00/29/378070029.db2.gz MNZOERRXWIXHDH-CYBMUJFWSA-N 0 3 274.364 2.033 20 30 CEEDHN CC(C)[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000444774351 378080496 /nfs/dbraw/zinc/08/04/96/378080496.db2.gz VXYKQOVVOZMYAQ-ZBFHGGJFSA-N 0 3 279.428 2.409 20 30 CEEDHN C=CCOc1ccc(CC(=O)NC[C@H]2CCCN2C)cc1 ZINC000294885654 378026364 /nfs/dbraw/zinc/02/63/64/378026364.db2.gz FCUFUOWERWIJDF-OAHLLOKOSA-N 0 3 288.391 2.004 20 30 CEEDHN C=CCNC(=O)CN[C@H](COCc1ccccc1)C(C)C ZINC000446890199 378087894 /nfs/dbraw/zinc/08/78/94/378087894.db2.gz HRPKFUSICJCSPZ-MRXNPFEDSA-N 0 3 290.407 2.120 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cc(F)cc(OC)c1 ZINC000449211130 378198958 /nfs/dbraw/zinc/19/89/58/378198958.db2.gz XIYCUVRASXUZJF-LLVKDONJSA-N 0 3 253.317 2.109 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2ccccc2[nH]c1=O ZINC000449519417 378215185 /nfs/dbraw/zinc/21/51/85/378215185.db2.gz MNASVIVFCGUHJN-CABCVRRESA-N 0 3 270.332 2.374 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C(=O)OC)c(CC)o1 ZINC000449548762 378216185 /nfs/dbraw/zinc/21/61/85/378216185.db2.gz QNBIPNDUNKWSHX-HIFRSBDPSA-N 0 3 293.363 2.452 20 30 CEEDHN C=CCCCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000448092845 378168462 /nfs/dbraw/zinc/16/84/62/378168462.db2.gz GLDSPBOKVDRGNF-MRXNPFEDSA-N 0 3 289.423 2.425 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cnc2cc(C)ccn12 ZINC000449698413 378221724 /nfs/dbraw/zinc/22/17/24/378221724.db2.gz NKJRQHUABQRNQZ-ZDUSSCGKSA-N 0 3 259.353 2.059 20 30 CEEDHN C=C[C@@H](C)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000450095396 378290946 /nfs/dbraw/zinc/29/09/46/378290946.db2.gz AGKFKVBUTLGNRH-OCCSQVGLSA-N 0 3 250.386 2.474 20 30 CEEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)[C@@]1(C#N)C[C@@H]1C ZINC000450195826 378319173 /nfs/dbraw/zinc/31/91/73/378319173.db2.gz VYXURGNOMLWJLZ-SQWLQELKSA-N 0 3 277.412 2.163 20 30 CEEDHN CC[C@@](C)(CO)NC(=O)C(C#N)CCc1ccccc1 ZINC000450406690 378400107 /nfs/dbraw/zinc/40/01/07/378400107.db2.gz RYJZUNLIRVWUQN-HOCLYGCPSA-N 0 3 274.364 2.036 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1ccccc1Cl ZINC000296505811 378556540 /nfs/dbraw/zinc/55/65/40/378556540.db2.gz GNFBXUBKLLIOIP-UHFFFAOYSA-N 0 3 279.771 2.417 20 30 CEEDHN C#Cc1ccc(CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000296513755 378558050 /nfs/dbraw/zinc/55/80/50/378558050.db2.gz QSFIHFUOJHITKZ-BBRMVZONSA-N 0 3 297.402 2.092 20 30 CEEDHN COC1([C@@H](C)NCc2cccc(C#N)c2F)CCOCC1 ZINC000453232408 378836238 /nfs/dbraw/zinc/83/62/38/378836238.db2.gz WZANSCPSEGOFRI-GFCCVEGCSA-N 0 3 292.354 2.371 20 30 CEEDHN C[C@@H](NC[C@]1(C)CCC(=O)N1)c1ccc(C#N)c(F)c1 ZINC000453407029 378890487 /nfs/dbraw/zinc/89/04/87/378890487.db2.gz GGXRDFMLXXOCPP-BMIGLBTASA-N 0 3 275.327 2.017 20 30 CEEDHN Cc1cc(C)c(C#N)c(N2CC[C@@H](N3CC=CC3)C2)n1 ZINC000266287774 190246039 /nfs/dbraw/zinc/24/60/39/190246039.db2.gz VYVFQRQISSJIBL-CQSZACIVSA-N 0 3 268.364 2.021 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1nc(Cl)c(C#N)s1 ZINC000278672360 194095977 /nfs/dbraw/zinc/09/59/77/194095977.db2.gz KFAXONUUGGWNQY-BDAKNGLRSA-N 0 3 284.816 2.445 20 30 CEEDHN C[C@]1(F)CCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000347347952 218199575 /nfs/dbraw/zinc/19/95/75/218199575.db2.gz JTKOYDJYLBOJHF-HNNXBMFYSA-N 0 3 275.327 2.321 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC2(C1)CCOCC2 ZINC000266526491 190263858 /nfs/dbraw/zinc/26/38/58/190263858.db2.gz DRUYMODSLPZGEC-UHFFFAOYSA-N 0 3 286.375 2.440 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC2(C1)CCOCC2 ZINC000266554416 190266670 /nfs/dbraw/zinc/26/66/70/190266670.db2.gz LKRKOWBUKCZFMR-HNNXBMFYSA-N 0 3 292.423 2.078 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)c1ccc(F)c(C#N)c1 ZINC000278933897 194218141 /nfs/dbraw/zinc/21/81/41/194218141.db2.gz TWKMSGVVWLKQLN-LBPRGKRZSA-N 0 3 289.354 2.302 20 30 CEEDHN C#CCCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000266702442 190276397 /nfs/dbraw/zinc/27/63/97/190276397.db2.gz HAQVSGTXIBYCPM-MRXNPFEDSA-N 0 3 299.418 2.316 20 30 CEEDHN CCN1C[C@@H](C)N(CCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000347682619 218320152 /nfs/dbraw/zinc/32/01/52/218320152.db2.gz CRRYOOVPJXUEHD-GASCZTMLSA-N 0 3 287.407 2.352 20 30 CEEDHN CCN1C[C@H](C)N(CCOc2ccccc2C#N)[C@@H](C)C1 ZINC000347709188 218330656 /nfs/dbraw/zinc/33/06/56/218330656.db2.gz SZAJHGMQXIXDTO-GJZGRUSLSA-N 0 3 287.407 2.352 20 30 CEEDHN CC[C@@H]1CN(CC)CCN1Cc1ccc(C#N)cc1OC ZINC000451746409 269677840 /nfs/dbraw/zinc/67/78/40/269677840.db2.gz ZKUCLSLGZWGCKT-MRXNPFEDSA-N 0 3 287.407 2.483 20 30 CEEDHN C=CCOCCCN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000470722656 380070989 /nfs/dbraw/zinc/07/09/89/380070989.db2.gz KOWLBTRGZCQRMO-KFWWJZLASA-N 0 3 281.396 2.385 20 30 CEEDHN C=CCOCCCN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000470722658 380071399 /nfs/dbraw/zinc/07/13/99/380071399.db2.gz KOWLBTRGZCQRMO-ZNMIVQPWSA-N 0 3 281.396 2.385 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000486363671 380081326 /nfs/dbraw/zinc/08/13/26/380081326.db2.gz ZFWOJLLAKVMYGL-QKPAOTATSA-N 0 3 294.439 2.347 20 30 CEEDHN CC(C)(C#N)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000529721558 380184893 /nfs/dbraw/zinc/18/48/93/380184893.db2.gz YYWKWLXYMJGFRZ-ZDUSSCGKSA-N 0 3 263.385 2.059 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000529715463 380184918 /nfs/dbraw/zinc/18/49/18/380184918.db2.gz HTRPHMLHYDANLD-GOEBONIOSA-N 0 3 277.412 2.449 20 30 CEEDHN N#CC1(C(=O)NC[C@H]2CCN2C2CCCCC2)CCC1 ZINC000529721727 380185323 /nfs/dbraw/zinc/18/53/23/380185323.db2.gz XTVKMHBEVAQDNS-CQSZACIVSA-N 0 3 275.396 2.203 20 30 CEEDHN C=CCSCCNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000540959182 380263970 /nfs/dbraw/zinc/26/39/70/380263970.db2.gz RIZKGUJSOICKDL-UHFFFAOYSA-N 0 3 299.484 2.421 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C1(C#N)CC(C)C1 ZINC000532064960 380211724 /nfs/dbraw/zinc/21/17/24/380211724.db2.gz MOZRILBLNXSMFT-RXFTYZNJSA-N 0 3 277.412 2.163 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC(C)(C)OC ZINC000532644885 380216049 /nfs/dbraw/zinc/21/60/49/380216049.db2.gz JJUYLKSTXLTHPV-CYBMUJFWSA-N 0 3 270.417 2.156 20 30 CEEDHN N#CCC1CCN(C[C@@H](O)COCc2cccs2)CC1 ZINC000543807846 380347095 /nfs/dbraw/zinc/34/70/95/380347095.db2.gz RNRSAKGHMJMICP-CQSZACIVSA-N 0 3 294.420 2.251 20 30 CEEDHN CN1CC=C(CNc2ccc3cc(C#N)ccc3n2)CC1 ZINC000546181960 380404171 /nfs/dbraw/zinc/40/41/71/380404171.db2.gz RHOJXRGGDLXDAC-UHFFFAOYSA-N 0 3 278.359 2.202 20 30 CEEDHN CN(CCNC(=O)c1ccc(C#N)c(Cl)c1)C1CC1 ZINC000547972096 380479425 /nfs/dbraw/zinc/47/94/25/380479425.db2.gz ZEWMTQLRYGEQKM-UHFFFAOYSA-N 0 3 277.755 2.036 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C\c2ccc(O)cc2)CC1 ZINC000492586249 380612732 /nfs/dbraw/zinc/61/27/32/380612732.db2.gz FIJMBOFETFVPBW-YVMONPNESA-N 0 3 286.375 2.172 20 30 CEEDHN C#CC(C)(C)N(C)C[C@H](O)COCc1ccccc1F ZINC000279155164 194308604 /nfs/dbraw/zinc/30/86/04/194308604.db2.gz ATONVVKHVKQXMV-AWEZNQCLSA-N 0 3 279.355 2.047 20 30 CEEDHN C=C(C)CN(Cc1ccccc1)C(=O)C(C)S(C)(=O)=O ZINC000279352953 194396853 /nfs/dbraw/zinc/39/68/53/194396853.db2.gz GJKOVNIRTIYSJV-ZDUSSCGKSA-N 0 3 295.404 2.024 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)NCCN(C)CCCC ZINC000495037606 381166506 /nfs/dbraw/zinc/16/65/06/381166506.db2.gz RVCMKSXSDUBTDP-AWEZNQCLSA-N 0 3 267.417 2.468 20 30 CEEDHN C=CCOCCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000495595055 381178433 /nfs/dbraw/zinc/17/84/33/381178433.db2.gz OKAHEGXCKKRTBN-ZIAGYGMSSA-N 0 3 298.427 2.424 20 30 CEEDHN C=CCOCCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000495732287 381183603 /nfs/dbraw/zinc/18/36/03/381183603.db2.gz WQYDSZSVCXZXCK-UHFFFAOYSA-N 0 3 284.400 2.178 20 30 CEEDHN CCC(=Nn1cnnc1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496343126 381209193 /nfs/dbraw/zinc/20/91/93/381209193.db2.gz LHEKPILCHPXMJJ-GFCCVEGCSA-N 0 3 293.371 2.292 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(F)cc2C#N)CCN1C ZINC000334860739 207202967 /nfs/dbraw/zinc/20/29/67/207202967.db2.gz MCPREBLTFRVVAF-MFKMUULPSA-N 0 3 290.342 2.302 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCCC(F)(F)[C@@H]2O)c1 ZINC000334875644 207227885 /nfs/dbraw/zinc/22/78/85/207227885.db2.gz XNPPWFXSZCUYHZ-QWHCGFSZSA-N 0 3 266.291 2.197 20 30 CEEDHN C[C@@]1(C(N)=O)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000334877420 207229889 /nfs/dbraw/zinc/22/98/89/207229889.db2.gz MTWNZYFPAMFKNS-CQSZACIVSA-N 0 3 261.300 2.445 20 30 CEEDHN COc1ccc(CN[C@@H](CO)CC2CCC2)cc1C#N ZINC000279781618 194567639 /nfs/dbraw/zinc/56/76/39/194567639.db2.gz LIHNCGROFTUYCT-OAHLLOKOSA-N 0 3 274.364 2.208 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000335251883 208029865 /nfs/dbraw/zinc/02/98/65/208029865.db2.gz WKPDHNRCEWXMAI-WDEREUQCSA-N 0 3 272.352 2.081 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccccc1)CC(F)F ZINC000347755869 533107378 /nfs/dbraw/zinc/10/73/78/533107378.db2.gz NOHHVNCDJSGQAG-JTQLQIEISA-N 0 3 252.264 2.440 20 30 CEEDHN CC(C#N)C(=O)NCc1c(F)cccc1OC(F)F ZINC000347189497 533114328 /nfs/dbraw/zinc/11/43/28/533114328.db2.gz NCZDAJHYBZQEEW-ZETCQYMHSA-N 0 3 272.226 2.203 20 30 CEEDHN CCC[C@@]1(CO)CCN(CCOc2ccccc2C#N)C1 ZINC000288923425 197192735 /nfs/dbraw/zinc/19/27/35/197192735.db2.gz VGENCTTURVHKJF-QGZVFWFLSA-N 0 3 288.391 2.422 20 30 CEEDHN COC(=O)CC1(CN(C)Cc2cccc(C#N)c2)CC1 ZINC000281491140 195261379 /nfs/dbraw/zinc/26/13/79/195261379.db2.gz QGPFIXAXUWTFNJ-UHFFFAOYSA-N 0 3 272.348 2.333 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCC12CCCC2 ZINC000365311723 262359105 /nfs/dbraw/zinc/35/91/05/262359105.db2.gz DNSGXBAZSOBTPQ-OAHLLOKOSA-N 0 3 277.412 2.449 20 30 CEEDHN CC[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CCCO1 ZINC000281564896 195290633 /nfs/dbraw/zinc/29/06/33/195290633.db2.gz YOMVAVVYDAHJSG-HZPDHXFCSA-N 0 3 274.364 2.093 20 30 CEEDHN CO[C@@H]1CCN(CCOc2ccccc2C#N)[C@@H](C)C1 ZINC000281770334 195374059 /nfs/dbraw/zinc/37/40/59/195374059.db2.gz SIQNFZLUTIAPPZ-DZGCQCFKSA-N 0 3 274.364 2.436 20 30 CEEDHN C[C@H]1Cc2ccccc2N1CCNCc1cc(C#N)n(C)c1 ZINC000190892918 130157868 /nfs/dbraw/zinc/15/78/68/130157868.db2.gz SQZYNTYLGAVTPV-AWEZNQCLSA-N 0 3 294.402 2.438 20 30 CEEDHN CC(C#N)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000355589013 394469257 /nfs/dbraw/zinc/46/92/57/394469257.db2.gz WSAALEPAQFGWBM-SSDOTTSWSA-N 0 3 288.134 2.043 20 30 CEEDHN C[C@@H](CN1CCCCC1)Nc1ncc(C#N)cc1F ZINC000413090813 394482423 /nfs/dbraw/zinc/48/24/23/394482423.db2.gz JMWGRIJLNJYUEQ-NSHDSACASA-N 0 3 262.332 2.379 20 30 CEEDHN C=CCCCCCN(C)C(=O)C[C@@H]1CSCCN1 ZINC000237044246 394489954 /nfs/dbraw/zinc/48/99/54/394489954.db2.gz AYIGCBSGYKRFDD-CYBMUJFWSA-N 0 3 270.442 2.286 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2cn(C)nc2C2CC2)CCN1C ZINC000329537105 394570430 /nfs/dbraw/zinc/57/04/30/394570430.db2.gz BJJOFORPBCGJHU-PWSUYJOCSA-N 0 3 276.384 2.085 20 30 CEEDHN O=C(CN1C[C@@H]2CC[C@H](O)[C@H]2C1)NCC1CCCCC1 ZINC000329647421 394579102 /nfs/dbraw/zinc/57/91/02/394579102.db2.gz JTKLPNZMLNBJIE-KKUMJFAQSA-N 0 3 280.412 2.226 20 30 CEEDHN C[C@@H]1N(CC(=O)NC[C@@H]2CCCO2)CCC12CCOCC2 ZINC000329650292 394579144 /nfs/dbraw/zinc/57/91/44/394579144.db2.gz CEDFJVPZCSPZPZ-KBPBESRZSA-N 0 3 296.411 2.013 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cccc2c1OCCCO2 ZINC000320513585 394546399 /nfs/dbraw/zinc/54/63/99/394546399.db2.gz NFYFSFWPNWCCBF-AWEZNQCLSA-N 0 3 277.364 2.265 20 30 CEEDHN COCc1ncsc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000328919545 394556910 /nfs/dbraw/zinc/55/69/10/394556910.db2.gz SOASHJCBZGFDRR-SNVBAGLBSA-N 0 3 295.408 2.245 20 30 CEEDHN C[C@H](C(=O)N[C@H](C#N)C(C)(C)C)N1[C@H](C)CC[C@@H]1C ZINC000413589507 394592293 /nfs/dbraw/zinc/59/22/93/394592293.db2.gz XJOWYYKYLGCMBM-YVECIDJPSA-N 0 3 265.401 2.302 20 30 CEEDHN CC(C)(C#N)CCCN1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000330572162 394619682 /nfs/dbraw/zinc/61/96/82/394619682.db2.gz NFSSDXKEZNPDQN-RRFJBIMHSA-N 0 3 280.412 2.178 20 30 CEEDHN C=C(C)Cn1c(C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000358961144 394734704 /nfs/dbraw/zinc/73/47/04/394734704.db2.gz UKPIQXPVKPCOSD-OLZOCXBDSA-N 0 3 277.416 2.082 20 30 CEEDHN C=CCCCC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000359216457 394745079 /nfs/dbraw/zinc/74/50/79/394745079.db2.gz RREMDMGQJUZXJX-UHFFFAOYSA-N 0 3 282.428 2.348 20 30 CEEDHN C=C(C)CN(CC)C(=O)NCCN(CC)C1CC1 ZINC000102068694 394708930 /nfs/dbraw/zinc/70/89/30/394708930.db2.gz AAIHMEYILABUBF-UHFFFAOYSA-N 0 3 253.390 2.078 20 30 CEEDHN COC[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)OC ZINC000358438247 394722714 /nfs/dbraw/zinc/72/27/14/394722714.db2.gz VSTJZFCSWJUSND-ZYHUDNBSSA-N 0 3 266.316 2.009 20 30 CEEDHN CN(C)Cc1ccc(C(=O)N2CCC(F)(C#N)CC2)cc1 ZINC000359348892 394748170 /nfs/dbraw/zinc/74/81/70/394748170.db2.gz KSQDTBDRHVIMAV-UHFFFAOYSA-N 0 3 289.354 2.216 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CNCCC1(F)F)CC2 ZINC000335365113 394761934 /nfs/dbraw/zinc/76/19/34/394761934.db2.gz YEANPJOHAFEZEE-ZIAGYGMSSA-N 0 3 277.318 2.132 20 30 CEEDHN C#CCN(Cc1ccc(OC)cc1)[C@H](CO)C(C)C ZINC000272343557 394771179 /nfs/dbraw/zinc/77/11/79/394771179.db2.gz ZBJIYZOZHVCZFB-MRXNPFEDSA-N 0 3 261.365 2.147 20 30 CEEDHN C=CCC[C@@H](O)CN(CC)C[C@@H]1COc2ccccc2O1 ZINC000121154725 394792950 /nfs/dbraw/zinc/79/29/50/394792950.db2.gz MJXIRKHMDHCTHQ-HUUCEWRRSA-N 0 3 291.391 2.475 20 30 CEEDHN CC(C#N)C(=O)NCc1nc2cc(Cl)ccc2n1C ZINC000335893815 394809124 /nfs/dbraw/zinc/80/91/24/394809124.db2.gz KQVNJBCADFSDCE-MRVPVSSYSA-N 0 3 276.727 2.003 20 30 CEEDHN CN(C)C1CN(c2cccc(Br)c2C#N)C1 ZINC000276153227 394810930 /nfs/dbraw/zinc/81/09/30/394810930.db2.gz JECQUJLNIQFYTB-UHFFFAOYSA-N 0 3 280.169 2.071 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCN1CCCC1=O ZINC000122866271 394819721 /nfs/dbraw/zinc/81/97/21/394819721.db2.gz VKFPCMRGRVAVNE-ZDUSSCGKSA-N 0 3 271.364 2.173 20 30 CEEDHN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C#N)c2)C[C@H]1C ZINC000361706652 394834754 /nfs/dbraw/zinc/83/47/54/394834754.db2.gz BRUUQHKVEJYJIV-NEPJUHHUSA-N 0 3 288.351 2.385 20 30 CEEDHN Cc1cc(CN[C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)on1 ZINC000362033004 394841896 /nfs/dbraw/zinc/84/18/96/394841896.db2.gz RJKROCIXZKOPKS-MHEUCROKSA-N 0 3 275.352 2.313 20 30 CEEDHN CN(CCC1CC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279905221 394844188 /nfs/dbraw/zinc/84/41/88/394844188.db2.gz DRDPNXIXOONJSF-INIZCTEOSA-N 0 3 281.359 2.499 20 30 CEEDHN CC(C#N)C(=O)NCc1nc2cccc(Cl)c2n1C ZINC000336346452 394845063 /nfs/dbraw/zinc/84/50/63/394845063.db2.gz WQRXUPAADJXWDJ-QMMMGPOBSA-N 0 3 276.727 2.003 20 30 CEEDHN CC#CCCCC(=O)NCCN1CCCC[C@@H]1C ZINC000362296202 394851473 /nfs/dbraw/zinc/85/14/73/394851473.db2.gz DDPGGAPKAIUZIO-AWEZNQCLSA-N 0 3 250.386 2.171 20 30 CEEDHN C=C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000362378097 394857486 /nfs/dbraw/zinc/85/74/86/394857486.db2.gz BKTOYSUYRRPNBO-HIFRSBDPSA-N 0 3 273.380 2.135 20 30 CEEDHN CN(Cc1cnc2ccc(C#N)cn12)[C@H]1CCSC1 ZINC000130536078 394889689 /nfs/dbraw/zinc/88/96/89/394889689.db2.gz LOTLLBXEOLHECC-LBPRGKRZSA-N 0 3 272.377 2.143 20 30 CEEDHN C=CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000285144957 394953657 /nfs/dbraw/zinc/95/36/57/394953657.db2.gz OLFFRVNWPIWQHB-CQSZACIVSA-N 0 3 294.345 2.446 20 30 CEEDHN C#CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282594177 394921169 /nfs/dbraw/zinc/92/11/69/394921169.db2.gz MEIOZGHDKWFCAJ-MRXNPFEDSA-N 0 3 299.418 2.220 20 30 CEEDHN C#CC[C@H](C)NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000366943676 394955713 /nfs/dbraw/zinc/95/57/13/394955713.db2.gz FWBMDHSYDSLNDN-BPUTZDHNSA-N 0 3 285.391 2.143 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](c3nnc4n3CCC4)C2)C1 ZINC000338980245 394935306 /nfs/dbraw/zinc/93/53/06/394935306.db2.gz ISLSPFLZXBIABZ-RDBSUJKOSA-N 0 3 285.395 2.096 20 30 CEEDHN N#CCCOCCN1CCS[C@@H]2CCCC[C@H]21 ZINC000339014558 394936549 /nfs/dbraw/zinc/93/65/49/394936549.db2.gz CSIYRAATCJTBKT-CHWSQXEVSA-N 0 3 254.399 2.277 20 30 CEEDHN C#Cc1ccc(CN[C@H]2CCCO[C@@H]2c2nccn2C)cc1 ZINC000283849157 394938677 /nfs/dbraw/zinc/93/86/77/394938677.db2.gz DHTPCHOASVAMOL-IRXDYDNUSA-N 0 3 295.386 2.411 20 30 CEEDHN C=CCOCCN1CCC(n2cc(Cl)cn2)CC1 ZINC000339079876 394940396 /nfs/dbraw/zinc/94/03/96/394940396.db2.gz IPUMDIFLMURHSC-UHFFFAOYSA-N 0 3 269.776 2.376 20 30 CEEDHN C=C(C)COCCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000416000609 394996188 /nfs/dbraw/zinc/99/61/88/394996188.db2.gz XPSZWJLYVMUADB-UHFFFAOYSA-N 0 3 275.352 2.004 20 30 CEEDHN C#CCN[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000286286191 395018745 /nfs/dbraw/zinc/01/87/45/395018745.db2.gz VZEZCDVJXQVDPX-UONOGXRCSA-N 0 3 251.276 2.488 20 30 CEEDHN C[C@H](C#N)CN(C)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416127900 395018788 /nfs/dbraw/zinc/01/87/88/395018788.db2.gz DOYAVOYNSIIGDD-HIFRSBDPSA-N 0 3 273.380 2.297 20 30 CEEDHN C=CCOCCCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000154732121 395023911 /nfs/dbraw/zinc/02/39/11/395023911.db2.gz VJYICYOKAYFGJA-UHFFFAOYSA-N 0 3 294.439 2.446 20 30 CEEDHN COc1ccc(C[C@@H](C)CNC(=O)C(C)C#N)cc1OC ZINC000343046832 395030477 /nfs/dbraw/zinc/03/04/77/395030477.db2.gz KLVFINKYFQPTFT-NEPJUHHUSA-N 0 3 290.363 2.158 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N(C)[C@@H]1CCN(C2CC2)C1)OCC ZINC000339372209 394957565 /nfs/dbraw/zinc/95/75/65/394957565.db2.gz XCNAYRNKHULGGT-HUUCEWRRSA-N 0 3 280.412 2.053 20 30 CEEDHN C=CCC[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccco1 ZINC000285551618 394958667 /nfs/dbraw/zinc/95/86/67/394958667.db2.gz GQMUKMOEBOGMRE-CHWSQXEVSA-N 0 3 283.393 2.311 20 30 CEEDHN C=CCC[C@@H](NCCS(=O)(=O)N(C)C)c1ccccc1 ZINC000285558559 394959468 /nfs/dbraw/zinc/95/94/68/394959468.db2.gz IXMXFIQISYTIQS-OAHLLOKOSA-N 0 3 296.436 2.175 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1(C#N)CCC1)C(C)C ZINC000134931402 394960519 /nfs/dbraw/zinc/96/05/19/394960519.db2.gz FAFSPOZMDICRLG-HNNXBMFYSA-N 0 3 289.423 2.495 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNc1ccnc(C#N)c1)C(C)C ZINC000339970708 394975875 /nfs/dbraw/zinc/97/58/75/394975875.db2.gz OAWXSUITDUBSMU-KRWDZBQOSA-N 0 3 284.407 2.486 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ncc2c(c1C#N)CCC2 ZINC000425222586 395051803 /nfs/dbraw/zinc/05/18/03/395051803.db2.gz ASDXLWGNMDILEQ-LRDDRELGSA-N 0 3 284.407 2.218 20 30 CEEDHN Cc1cc(NC[C@@H](C)N2CCC[C@H](C)C2)c(C#N)cn1 ZINC000425202965 395051881 /nfs/dbraw/zinc/05/18/81/395051881.db2.gz DLSBTLHFPDQSLS-GXTWGEPZSA-N 0 3 272.396 2.216 20 30 CEEDHN CN(C)C1(CNC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000416308142 395051997 /nfs/dbraw/zinc/05/19/97/395051997.db2.gz OPXYGSSNRXWIRV-UHFFFAOYSA-N 0 3 285.391 2.312 20 30 CEEDHN Cc1cc(NC[C@H](C)N2CCCC[C@@H]2C)c(C#N)cn1 ZINC000425207990 395052149 /nfs/dbraw/zinc/05/21/49/395052149.db2.gz NWJCUKNDNWRIDX-KBPBESRZSA-N 0 3 272.396 2.358 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000172068028 395100370 /nfs/dbraw/zinc/10/03/70/395100370.db2.gz FPQCEROIFRETFD-IAGOWNOFSA-N 0 3 264.328 2.306 20 30 CEEDHN C#Cc1ccc(CN2CCC(N3CCO[C@H](C)C3)CC2)cc1 ZINC000373342064 395059629 /nfs/dbraw/zinc/05/96/29/395059629.db2.gz UXFSRWQIPVXUMR-MRXNPFEDSA-N 0 3 298.430 2.353 20 30 CEEDHN C#C[C@H](NC(=O)NC1CCN(CC(=C)C)CC1)C(C)(C)C ZINC000288555097 395063202 /nfs/dbraw/zinc/06/32/02/395063202.db2.gz JCWMMTXIGORXSO-HNNXBMFYSA-N 0 3 291.439 2.374 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(C)(F)F)C(C)C ZINC000288718012 395065293 /nfs/dbraw/zinc/06/52/93/395065293.db2.gz ZTRMTDUNZVSISB-GFCCVEGCSA-N 0 3 274.355 2.456 20 30 CEEDHN C=C(CNC(=O)NCCN(C)C1CC1)c1ccccc1 ZINC000289173645 395071261 /nfs/dbraw/zinc/07/12/61/395071261.db2.gz QOWLQVMQLKSVBH-UHFFFAOYSA-N 0 3 273.380 2.093 20 30 CEEDHN C#C[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])C(C)C ZINC000289359407 395075940 /nfs/dbraw/zinc/07/59/40/395075940.db2.gz KDFFWRDJMXNXPO-LBPRGKRZSA-N 0 3 263.337 2.157 20 30 CEEDHN CC[C@H](C(=O)N(CC)C[C@H](C)C#N)N(CC)CC ZINC000345800797 395078555 /nfs/dbraw/zinc/07/85/55/395078555.db2.gz OZIGVULLGXFUEK-CHWSQXEVSA-N 0 3 253.390 2.115 20 30 CEEDHN C=C(C)COc1cc(CN[C@H](C)CC(N)=O)ccc1OC ZINC000345830789 395079688 /nfs/dbraw/zinc/07/96/88/395079688.db2.gz LGWALDVAMFMKOE-GFCCVEGCSA-N 0 3 292.379 2.004 20 30 CEEDHN CCCCN(C)CCNC(=O)c1cccc(F)c1C#N ZINC000426836978 395081776 /nfs/dbraw/zinc/08/17/76/395081776.db2.gz VSQUZMJCHGEJTN-UHFFFAOYSA-N 0 3 277.343 2.159 20 30 CEEDHN C=C[C@H](CO)N[C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000289705619 395083394 /nfs/dbraw/zinc/08/33/94/395083394.db2.gz IWRONXHYGLJHAN-UONOGXRCSA-N 0 3 276.380 2.157 20 30 CEEDHN CC(C)(C)CNC(=O)C(C)(C)NCCC(C)(C)C#N ZINC000345969865 395083736 /nfs/dbraw/zinc/08/37/36/395083736.db2.gz XQKBKPYNLWSRRK-UHFFFAOYSA-N 0 3 267.417 2.457 20 30 CEEDHN C=CCC[C@H](NCCCn1cc(CO)nn1)c1ccco1 ZINC000289710233 395084758 /nfs/dbraw/zinc/08/47/58/395084758.db2.gz IZWVDJRMTUOWQX-AWEZNQCLSA-N 0 3 290.367 2.051 20 30 CEEDHN C[C@H](CNC(=O)C1(C#N)CCC1)N1CCCC[C@@H]1C ZINC000345997594 395084829 /nfs/dbraw/zinc/08/48/29/395084829.db2.gz VNQWIIIQRMGIMS-QWHCGFSZSA-N 0 3 263.385 2.059 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(N(CC)CC)c(F)c1 ZINC000289758572 395085303 /nfs/dbraw/zinc/08/53/03/395085303.db2.gz HXZBVTQUJFQYJR-CYBMUJFWSA-N 0 3 266.360 2.308 20 30 CEEDHN C#Cc1ccc(CN2CC[C@H](C(=O)OC)[C@@H](C)C2)cc1 ZINC000289819261 395088210 /nfs/dbraw/zinc/08/82/10/395088210.db2.gz TZLABDSVLGTMGO-BBRMVZONSA-N 0 3 271.360 2.299 20 30 CEEDHN CC(C)C[C@H]1CCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346379067 395097566 /nfs/dbraw/zinc/09/75/66/395097566.db2.gz GNUCLSWNKAMQDJ-ZIAGYGMSSA-N 0 3 277.412 2.305 20 30 CEEDHN CC(C)(C#N)CNC(=O)CCN1CCc2ccccc2C1 ZINC000416198393 395030703 /nfs/dbraw/zinc/03/07/03/395030703.db2.gz JYZCLZYKEJSOQM-UHFFFAOYSA-N 0 3 285.391 2.101 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCN1C ZINC000286902894 395031555 /nfs/dbraw/zinc/03/15/55/395031555.db2.gz FKHNQNCFVNHUIS-SJORKVTESA-N 0 3 299.418 2.014 20 30 CEEDHN C[C@@H]1CN(CC2CCN(CC3(C#N)CC3)CC2)C[C@@H](C)O1 ZINC000343318093 395037057 /nfs/dbraw/zinc/03/70/57/395037057.db2.gz WKTKIOFDNPMXPC-HUUCEWRRSA-N 0 3 291.439 2.111 20 30 CEEDHN C[C@H]1[C@H](Nc2c(C#N)cnc3ccccc32)CCCN1C ZINC000343601068 395042175 /nfs/dbraw/zinc/04/21/75/395042175.db2.gz PQUHXKUUSHNDAM-SWLSCSKDSA-N 0 3 280.375 2.423 20 30 CEEDHN C[C@@H]1CCC[C@H](N(C)CC(=O)NC2(C#N)CCC2)C1 ZINC000346826003 395109188 /nfs/dbraw/zinc/10/91/88/395109188.db2.gz DFOXQRHQXGFRIP-OLZOCXBDSA-N 0 3 263.385 2.059 20 30 CEEDHN CCCCCn1cc(CNC(=O)C(C)C#N)c(C)n1 ZINC000348912760 395155398 /nfs/dbraw/zinc/15/53/98/395155398.db2.gz SOMYRTKFYXZWMM-LLVKDONJSA-N 0 3 262.357 2.158 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@H](C)[C@@H](O)C2)c1 ZINC000349359272 395165788 /nfs/dbraw/zinc/16/57/88/395165788.db2.gz ZKZMMFQRIWSKHT-BBRMVZONSA-N 0 3 261.365 2.454 20 30 CEEDHN N#CCCCOc1cccc(CN[C@@H]2CCOC2)c1 ZINC000178995742 395176733 /nfs/dbraw/zinc/17/67/33/395176733.db2.gz DGNQZECOMHRYJI-CQSZACIVSA-N 0 3 260.337 2.248 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000519829725 395226268 /nfs/dbraw/zinc/22/62/68/395226268.db2.gz XBLXHJCYLJXXKJ-UKRRQHHQSA-N 0 3 287.319 2.124 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC000293851144 395253797 /nfs/dbraw/zinc/25/37/97/395253797.db2.gz ANWHDAZSDCUJHO-INIZCTEOSA-N 0 3 286.419 2.245 20 30 CEEDHN CCc1ccc(C#CC(=O)N2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000293615829 395244506 /nfs/dbraw/zinc/24/45/06/395244506.db2.gz DBBGJRZMOHGWIG-IBGZPJMESA-N 0 3 296.414 2.155 20 30 CEEDHN Cc1cc(F)cc2c1ncc(C#N)c2NCC1(N(C)C)CC1 ZINC000419012329 395246085 /nfs/dbraw/zinc/24/60/85/395246085.db2.gz VZGNKYLTMOYLMZ-UHFFFAOYSA-N 0 3 298.365 2.482 20 30 CEEDHN C=CCc1cc(CN(CC)[C@H](C)CO)cc(OC)c1O ZINC000292736217 395203339 /nfs/dbraw/zinc/20/33/39/395203339.db2.gz GVVQYYUANDTOJY-GFCCVEGCSA-N 0 3 279.380 2.332 20 30 CEEDHN C[C@H](CNC(=O)NCCCCC#N)N1CCCC[C@@H]1C ZINC000351353895 395206956 /nfs/dbraw/zinc/20/69/56/395206956.db2.gz UZUWDGUUFNGMKH-UONOGXRCSA-N 0 3 280.416 2.242 20 30 CEEDHN Cc1n[nH]cc1[C@@H](C)NCCOc1ccc(C#N)cc1 ZINC000180919691 395207268 /nfs/dbraw/zinc/20/72/68/395207268.db2.gz WKNQCDYLAGZYNA-LLVKDONJSA-N 0 3 270.336 2.319 20 30 CEEDHN C=CCOCCN(CCOCCOC)Cc1ccccc1 ZINC000292928761 395210177 /nfs/dbraw/zinc/21/01/77/395210177.db2.gz YRMRCWIVYLHPQV-UHFFFAOYSA-N 0 3 293.407 2.354 20 30 CEEDHN C[C@H](O)[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000183205275 395252705 /nfs/dbraw/zinc/25/27/05/395252705.db2.gz DBKKXOQRPOHBCR-JSGCOSHPSA-N 0 3 263.768 2.394 20 30 CEEDHN CC#CCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000293171738 395221992 /nfs/dbraw/zinc/22/19/92/395221992.db2.gz PEUPTSKQFSLNCS-UHFFFAOYSA-N 0 3 289.335 2.187 20 30 CEEDHN CC1=C[C@H](C)CN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000528489100 395290926 /nfs/dbraw/zinc/29/09/26/395290926.db2.gz PLRZVGRIZBRZRS-BBRMVZONSA-N 0 3 286.375 2.196 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(F)cc1N(C)C ZINC000186713971 395294962 /nfs/dbraw/zinc/29/49/62/395294962.db2.gz PQJMQTIZAVFATR-AAEUAGOBSA-N 0 3 266.360 2.479 20 30 CEEDHN COC[C@H]1CN(CC(C)(C)CCC#N)C[C@@H](C)O1 ZINC000188377405 395314287 /nfs/dbraw/zinc/31/42/87/395314287.db2.gz HMXIKHYHRTVDRU-CHWSQXEVSA-N 0 3 254.374 2.052 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc2c(c1)N=S=N2 ZINC000293882228 395256415 /nfs/dbraw/zinc/25/64/15/395256415.db2.gz CSEGUOPAFVXXPJ-UHFFFAOYSA-N 0 3 288.376 2.098 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(c2ccccc2C)CCC1 ZINC000293901173 395256465 /nfs/dbraw/zinc/25/64/65/395256465.db2.gz FERFUCZEUZKEDO-UHFFFAOYSA-N 0 3 298.430 2.488 20 30 CEEDHN CCN(CCC#N)C(=O)CN[C@H](Cc1ccccc1)C1CC1 ZINC000183415175 395256573 /nfs/dbraw/zinc/25/65/73/395256573.db2.gz ZJXYGOGBYRMOAW-QGZVFWFLSA-N 0 3 299.418 2.359 20 30 CEEDHN CCCC(=O)NC[C@@H]1CCCN([C@@H](C)CCC#N)C1 ZINC000411227481 395323199 /nfs/dbraw/zinc/32/31/99/395323199.db2.gz PGIPGRIDBZSQTD-KBPBESRZSA-N 0 3 265.401 2.307 20 30 CEEDHN CC(C)[C@@H]1CN(Cc2cc(C#N)n(C)c2)CCCO1 ZINC000293922190 395257775 /nfs/dbraw/zinc/25/77/75/395257775.db2.gz GSHUAQLYLFJENF-HNNXBMFYSA-N 0 3 261.369 2.144 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC000183676690 395261108 /nfs/dbraw/zinc/26/11/08/395261108.db2.gz BEIZHOWKRPWOIS-OLZOCXBDSA-N 0 3 252.402 2.435 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(c2cccc(C)c2)CC1 ZINC000293993800 395261435 /nfs/dbraw/zinc/26/14/35/395261435.db2.gz ODVSQRDWOFVYCV-UHFFFAOYSA-N 0 3 284.403 2.098 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C(\C)c1ccccc1 ZINC000293979539 395261818 /nfs/dbraw/zinc/26/18/18/395261818.db2.gz MUNPYTAYOCYLDP-CCEZHUSRSA-N 0 3 270.376 2.161 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCCNC(=O)CC2CCCCC2)C1 ZINC000442869085 395397561 /nfs/dbraw/zinc/39/75/61/395397561.db2.gz HYMOBHCJYUKJNO-LSDHHAIUSA-N 0 3 277.412 2.355 20 30 CEEDHN C[C@H](NCCc1ccn(C)n1)c1ccc(C#N)c(F)c1 ZINC000355047793 395355850 /nfs/dbraw/zinc/35/58/50/395355850.db2.gz YAJIYDCAERIUPO-NSHDSACASA-N 0 3 272.327 2.324 20 30 CEEDHN C[C@@H]1[C@H](N[C@@H]2CC[C@@H](C#N)C2)CC(=O)N1Cc1ccccc1 ZINC000442865726 395396302 /nfs/dbraw/zinc/39/63/02/395396302.db2.gz IYVAHDNPQKCREV-MWQQHZPXSA-N 0 3 297.402 2.458 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)[C@](C)(OC)C1CC1 ZINC000411960377 395342798 /nfs/dbraw/zinc/34/27/98/395342798.db2.gz ZAIDEBHIIRKHDD-CJNGLKHVSA-N 0 3 282.428 2.204 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC(C)(C)C[C@H]1C ZINC000412050571 395347406 /nfs/dbraw/zinc/34/74/06/395347406.db2.gz YUFHJTYFNPZOJS-CHWSQXEVSA-N 0 3 265.401 2.115 20 30 CEEDHN C=CCN(CCOC)CCC(=O)Nc1ccc(C#N)cc1 ZINC000191120664 395350283 /nfs/dbraw/zinc/35/02/83/395350283.db2.gz AWLQMUNECSSHIK-UHFFFAOYSA-N 0 3 287.363 2.021 20 30 CEEDHN C[C@H](C(=O)N(C[C@H](C)C#N)C1CC1)N1[C@H](C)CC[C@@H]1C ZINC000412211975 395352009 /nfs/dbraw/zinc/35/20/09/395352009.db2.gz IVYQWJTXQWJRTM-YIYPIFLZSA-N 0 3 277.412 2.398 20 30 CEEDHN Cc1cc(CNCCC(=O)N2CCCCC2)ccc1C#N ZINC000443977431 395408407 /nfs/dbraw/zinc/40/84/07/395408407.db2.gz HABQEDNZHOYQMX-UHFFFAOYSA-N 0 3 285.391 2.359 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)N(CCC#N)CC1CC1 ZINC000355408277 395439456 /nfs/dbraw/zinc/43/94/56/395439456.db2.gz JVKRIZHCXIJZGC-STQMWFEESA-N 0 3 263.385 2.011 20 30 CEEDHN CCNC(=O)[C@@H](C)N[C@@H](CC)c1ccc(C#N)cc1 ZINC000447513147 395505510 /nfs/dbraw/zinc/50/55/10/395505510.db2.gz SWSFXOHUKMEACM-RISCZKNCSA-N 0 3 259.353 2.124 20 30 CEEDHN N#CCCC1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000567948532 395543915 /nfs/dbraw/zinc/54/39/15/395543915.db2.gz GUNSCNOGAVSPKL-HNNXBMFYSA-N 0 3 275.396 2.156 20 30 CEEDHN C=CCOc1cccc(CN(C)[C@H](CO)COC(C)C)c1 ZINC000569733362 395580442 /nfs/dbraw/zinc/58/04/42/395580442.db2.gz HMORWFZPKXIVPQ-MRXNPFEDSA-N 0 3 293.407 2.469 20 30 CEEDHN CC(C)N(CCCOc1cccc(C#N)c1)C1COC1 ZINC000451118510 395583527 /nfs/dbraw/zinc/58/35/27/395583527.db2.gz AFKCYPYMDOTXBS-UHFFFAOYSA-N 0 3 274.364 2.436 20 30 CEEDHN CC[C@@H](CO)N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000451156607 395586372 /nfs/dbraw/zinc/58/63/72/395586372.db2.gz SJTLYYGTOBXLAD-LBPRGKRZSA-N 0 3 284.306 2.362 20 30 CEEDHN CO[C@@H]1CCN(CCOc2ccccc2C#N)C[C@@H]1C ZINC000451547289 395622522 /nfs/dbraw/zinc/62/25/22/395622522.db2.gz QPEHCWPFKMZZAD-DZGCQCFKSA-N 0 3 274.364 2.294 20 30 CEEDHN CC[C@@H]1C[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000452762886 395626927 /nfs/dbraw/zinc/62/69/27/395626927.db2.gz FRLMDXOGSCNQRH-PMPSAXMXSA-N 0 3 281.359 2.403 20 30 CEEDHN CC(C)(CN1CCCC1)NC(=O)c1ccc(C#N)s1 ZINC000457060799 395634593 /nfs/dbraw/zinc/63/45/93/395634593.db2.gz XZQNXUOAFACGQI-UHFFFAOYSA-N 0 3 277.393 2.224 20 30 CEEDHN CC(C#N)C(=O)N1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000593852065 395666227 /nfs/dbraw/zinc/66/62/27/395666227.db2.gz VBHHRFCEKIDYCM-RYUDHWBXSA-N 0 3 280.368 2.259 20 30 CEEDHN N#Cc1ccc(F)c(CNC2(CO)CCSCC2)c1 ZINC000459719286 395666649 /nfs/dbraw/zinc/66/66/49/395666649.db2.gz VZOSBXMDQXIUDB-UHFFFAOYSA-N 0 3 280.368 2.045 20 30 CEEDHN CC(C)[C@@H]1CN(c2ccc(F)cc2C#N)CCN1C ZINC000487107741 395667038 /nfs/dbraw/zinc/66/70/38/395667038.db2.gz JOQDETYFPKXRIL-HNNXBMFYSA-N 0 3 261.344 2.474 20 30 CEEDHN Cc1ccc(N2CCN(C)[C@@H](C(C)C)C2)nc1C#N ZINC000487087172 395667089 /nfs/dbraw/zinc/66/70/89/395667089.db2.gz RQUZRINIHKLKHP-CQSZACIVSA-N 0 3 258.369 2.038 20 30 CEEDHN Cc1cc(CNC2(CO)Cc3ccccc3C2)ccc1C#N ZINC000487899840 395667687 /nfs/dbraw/zinc/66/76/87/395667687.db2.gz RSTVOSXCLPRZJH-UHFFFAOYSA-N 0 3 292.382 2.486 20 30 CEEDHN Cc1cc(CN[C@@H](C)Cn2cccn2)ccc1C#N ZINC000487912281 395667703 /nfs/dbraw/zinc/66/77/03/395667703.db2.gz PFIMWFXBXJWCMO-ZDUSSCGKSA-N 0 3 254.337 2.242 20 30 CEEDHN CC(C)[C@@H]1CN(Cc2ccc(C#N)cc2F)CCN1C ZINC000488042681 395667746 /nfs/dbraw/zinc/66/77/46/395667746.db2.gz OVJQDXOWLZUUFU-INIZCTEOSA-N 0 3 275.371 2.469 20 30 CEEDHN CC(C)[C@@H]1CN(CCOc2ccc(C#N)cc2)CCN1C ZINC000488051162 395667827 /nfs/dbraw/zinc/66/78/27/395667827.db2.gz KUDHOXSTZIGEHQ-KRWDZBQOSA-N 0 3 287.407 2.209 20 30 CEEDHN C[C@@H]1C[C@H]1CN[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000488550576 395668369 /nfs/dbraw/zinc/66/83/69/395668369.db2.gz YPCFLJMKMFLQFI-INWMFGNUSA-N 0 3 283.375 2.299 20 30 CEEDHN C#CCN(CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000490778953 395669018 /nfs/dbraw/zinc/66/90/18/395669018.db2.gz PGDLPRPQEXDEES-UHFFFAOYSA-N 0 3 276.340 2.059 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C\c1cccc(C#N)c1 ZINC000492123814 395670940 /nfs/dbraw/zinc/67/09/40/395670940.db2.gz CPTCZOODXPJUEU-BXBHMFDASA-N 0 3 295.386 2.170 20 30 CEEDHN C=C(C)[C@H](CO)N1CCCN(Cc2ccccc2C)CC1 ZINC000649235936 396098224 /nfs/dbraw/zinc/09/82/24/396098224.db2.gz CKBXXTGCOODQTC-SFHVURJKSA-N 0 3 288.435 2.440 20 30 CEEDHN C=C(C)CN(CC)C(=O)CNC1(C2CCC2)CC1 ZINC000649806304 396262752 /nfs/dbraw/zinc/26/27/52/396262752.db2.gz RPSDEHKSIHGDLK-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(C)C[C@H]1Cc1ccccc1 ZINC000649829359 396270081 /nfs/dbraw/zinc/27/00/81/396270081.db2.gz HHAUMBMKICJLCQ-QZTJIDSGSA-N 0 3 288.435 2.172 20 30 CEEDHN CN(CCC(=O)NC1CCCC1)Cc1ccc(C#N)cc1 ZINC000060467923 400239378 /nfs/dbraw/zinc/23/93/78/400239378.db2.gz UDSJCOXJUSWLCA-UHFFFAOYSA-N 0 3 285.391 2.439 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000335560355 400352708 /nfs/dbraw/zinc/35/27/08/400352708.db2.gz BPRINHJOFKKNSQ-OLZOCXBDSA-N 0 3 250.386 2.284 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000498137101 400600872 /nfs/dbraw/zinc/60/08/72/400600872.db2.gz OMAGKILKVKTLJF-MRXNPFEDSA-N 0 3 289.423 2.377 20 30 CEEDHN CCC#C[C@@H](C)N1CCC(CCN2CCOCC2)CC1 ZINC000650193482 400833462 /nfs/dbraw/zinc/83/34/62/400833462.db2.gz HOEVUFCZQIRIHK-MRXNPFEDSA-N 0 3 278.440 2.223 20 30 CEEDHN C=C(C)COc1cc(CN[C@H](CO)CCF)ccc1OC ZINC000652017168 401433588 /nfs/dbraw/zinc/43/35/88/401433588.db2.gz PMASQDRPFPFCQU-AWEZNQCLSA-N 0 3 297.370 2.460 20 30 CEEDHN CC(C)NC(=O)CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360648478 155343598 /nfs/dbraw/zinc/34/35/98/155343598.db2.gz RGBAIIYGWSIFDA-MRXNPFEDSA-N 0 3 285.391 2.440 20 30 CEEDHN CC1(C)C(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)C1(C)C ZINC000360668844 155347400 /nfs/dbraw/zinc/34/74/00/155347400.db2.gz MAKMVIWIZCSWOI-CQSZACIVSA-N 0 3 285.391 2.356 20 30 CEEDHN CN(CCN(C)c1ccccc1)Cc1cc(C#N)n(C)c1 ZINC000191344725 153167735 /nfs/dbraw/zinc/16/77/35/153167735.db2.gz HLPCMKAEFZTXDO-UHFFFAOYSA-N 0 3 282.391 2.465 20 30 CEEDHN Cn1cc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1C#N ZINC000191448982 153173593 /nfs/dbraw/zinc/17/35/93/153173593.db2.gz DIASQCCYPYGANH-QAPCUYQASA-N 0 3 298.434 2.345 20 30 CEEDHN C[C@H]1CN(Cc2cc(F)ccc2C#N)C[C@H](C)N1C ZINC000219279342 153300819 /nfs/dbraw/zinc/30/08/19/153300819.db2.gz BIZMFUICXONBMI-RYUDHWBXSA-N 0 3 261.344 2.222 20 30 CEEDHN CO[C@@]1(CN[C@H](C)c2ccc(C#N)c(F)c2)CCOC1 ZINC000359416491 155007690 /nfs/dbraw/zinc/00/76/90/155007690.db2.gz IUOSPJYHYUNFPP-IAQYHMDHSA-N 0 3 278.327 2.153 20 30 CEEDHN N#Cc1cccc(OCCN2CCC[C@@H](n3cccn3)C2)c1 ZINC000363121567 156002275 /nfs/dbraw/zinc/00/22/75/156002275.db2.gz CYYDTHCYNZRVNI-MRXNPFEDSA-N 0 3 296.374 2.471 20 30 CEEDHN C[C@@H]1CN2CCCC[C@@H]2CN1C[C@H](O)c1ccc(C#N)cc1 ZINC000363634380 156037518 /nfs/dbraw/zinc/03/75/18/156037518.db2.gz CWJRLIYKFSGGNK-OLMNPRSZSA-N 0 3 299.418 2.150 20 30 CEEDHN C[C@@]1(CNCc2ccc(C#N)o2)CCO[C@H]1C1CC1 ZINC000364054055 156064411 /nfs/dbraw/zinc/06/44/11/156064411.db2.gz FBQQIDIDLJCQKJ-GJZGRUSLSA-N 0 3 260.337 2.446 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3ccccc3C#N)C[C@@H]21 ZINC000375023420 157037248 /nfs/dbraw/zinc/03/72/48/157037248.db2.gz UOYWSZCOOLPKQD-TYGQBZDHSA-N 0 3 295.386 2.124 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@H]2CCC[C@@H](C1)C2O ZINC000179660414 165290140 /nfs/dbraw/zinc/29/01/40/165290140.db2.gz DBGBPDDGPGOAHH-FKEKPDDDSA-N 0 3 286.375 2.160 20 30 CEEDHN CC(C)N1CCCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000285348897 196257975 /nfs/dbraw/zinc/25/79/75/196257975.db2.gz PKOXUIQHQBHPNJ-UHFFFAOYSA-N 0 3 289.354 2.254 20 30 CEEDHN CC[C@@H](O)CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285488774 196301612 /nfs/dbraw/zinc/30/16/12/196301612.db2.gz MDYRAJCIMKGYSM-CYBMUJFWSA-N 0 3 292.354 2.311 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000662857076 414776737 /nfs/dbraw/zinc/77/67/37/414776737.db2.gz CXARVWAQBMDLDB-CYBMUJFWSA-N 0 3 250.386 2.463 20 30 CEEDHN C=CCCn1cc(CNCC(C)(C)N2CCCCC2)nn1 ZINC000657289391 414835078 /nfs/dbraw/zinc/83/50/78/414835078.db2.gz GRBYOMQLNGKIGE-UHFFFAOYSA-N 0 3 291.443 2.208 20 30 CEEDHN C=CCCn1cc(CN[C@H]2CCOC3(CCCC3)C2)nn1 ZINC000657401963 414915506 /nfs/dbraw/zinc/91/55/06/414915506.db2.gz ZODYJKAETBAUOD-AWEZNQCLSA-N 0 3 290.411 2.436 20 30 CEEDHN C=CCCn1cc(CNC[C@@]2(C)CCO[C@@H]2C2CC2)nn1 ZINC000657436635 414936411 /nfs/dbraw/zinc/93/64/11/414936411.db2.gz FDBYEQFKSJEVDA-HZPDHXFCSA-N 0 3 290.411 2.149 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000660704395 414940443 /nfs/dbraw/zinc/94/04/43/414940443.db2.gz NPFGSALAKQPRTB-OFQRWUPVSA-N 0 3 291.439 2.372 20 30 CEEDHN C=CCCn1cc(CN[C@H](C)CC(C)(C)OC)nn1 ZINC000657376561 414896466 /nfs/dbraw/zinc/89/64/66/414896466.db2.gz MBTSZVICVICTPU-GFCCVEGCSA-N 0 3 266.389 2.147 20 30 CEEDHN C=CCOCCCC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654313005 414900087 /nfs/dbraw/zinc/90/00/87/414900087.db2.gz UFSBBHXATMTQHC-GJZGRUSLSA-N 0 3 280.412 2.102 20 30 CEEDHN C=CCOc1ccccc1CNC[C@H](OC)[C@@H]1CCOC1 ZINC000657546238 414994500 /nfs/dbraw/zinc/99/45/00/414994500.db2.gz ZRZQMTZQIILKPF-WBVHZDCISA-N 0 3 291.391 2.393 20 30 CEEDHN C=CCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000660958473 415051966 /nfs/dbraw/zinc/05/19/66/415051966.db2.gz ISHMIGFOWYLJFT-LSDHHAIUSA-N 0 3 273.380 2.307 20 30 CEEDHN C=CCCCCCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000655247848 415159299 /nfs/dbraw/zinc/15/92/99/415159299.db2.gz VUXNXZHJOUTZLB-AWEZNQCLSA-N 0 3 250.386 2.476 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@]2(C)CC2(C)C)CC1 ZINC000664018673 415125619 /nfs/dbraw/zinc/12/56/19/415125619.db2.gz BSGNAMPWYWWWSF-HNNXBMFYSA-N 0 3 265.401 2.125 20 30 CEEDHN C=CCCC(C)(C)NC(=O)NC[C@H]1CCCN1CCOC ZINC000664065233 415147277 /nfs/dbraw/zinc/14/72/77/415147277.db2.gz JRJSWKAYQVEQJT-CQSZACIVSA-N 0 3 297.443 2.141 20 30 CEEDHN C=CC[C@@H]1CCCN(CC(=O)NCC2CCC2)C1 ZINC000661381026 415232806 /nfs/dbraw/zinc/23/28/06/415232806.db2.gz TWVONVUQUFUTEO-CQSZACIVSA-N 0 3 250.386 2.191 20 30 CEEDHN C=CCN(C(=O)Nc1ccc2c(c1)CNC2)[C@@H](C)COC ZINC000659023550 415392262 /nfs/dbraw/zinc/39/22/62/415392262.db2.gz ZKYLPWGKQGCCNE-LBPRGKRZSA-N 0 3 289.379 2.345 20 30 CEEDHN O[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C12CCC2 ZINC000661831652 415486676 /nfs/dbraw/zinc/48/66/76/415486676.db2.gz QDXLEMDGOZICOR-GJZGRUSLSA-N 0 3 259.324 2.070 20 30 CEEDHN C=CCC1(NCC(=O)Nc2cc(C)on2)CCCC1 ZINC000661851910 415497830 /nfs/dbraw/zinc/49/78/30/415497830.db2.gz XMDSEPXSFBMDFQ-UHFFFAOYSA-N 0 3 263.341 2.400 20 30 CEEDHN C=CC1CCN(C(=O)N[C@@H]2CCN(CCC)C2)CC1 ZINC000661952673 415538339 /nfs/dbraw/zinc/53/83/39/415538339.db2.gz ZGDUBLPOHUXWPV-CQSZACIVSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CCCCN(C)Cc1cc(=O)n2cccc(C)c2n1 ZINC000076738231 177077234 /nfs/dbraw/zinc/07/72/34/177077234.db2.gz TWERPZZGAGMEMF-UHFFFAOYSA-N 0 3 271.364 2.401 20 30 CEEDHN CC(C#N)C(=O)NC1(c2cccc(F)c2)CCOCC1 ZINC000334708413 225281931 /nfs/dbraw/zinc/28/19/31/225281931.db2.gz OZLXCYCFCNNXKR-LLVKDONJSA-N 0 3 276.311 2.107 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000345033990 225255709 /nfs/dbraw/zinc/25/57/09/225255709.db2.gz IZNIXXFBFSVSFJ-ZETCQYMHSA-N 0 3 267.672 2.024 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000347125814 226036248 /nfs/dbraw/zinc/03/62/48/226036248.db2.gz CBAFGRRSMCXJQN-DYEKYZERSA-N 0 3 258.321 2.135 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccc(F)cc1Cl ZINC000347102803 226050507 /nfs/dbraw/zinc/05/05/07/226050507.db2.gz IMEZQWCKCRAWNG-MRVPVSSYSA-N 0 3 254.692 2.297 20 30 CEEDHN Cc1c([C@H]2OCC[C@@H]2NCCC(C)(C)C#N)cnn1C ZINC000347217654 226090383 /nfs/dbraw/zinc/09/03/83/226090383.db2.gz AJKOJMGVOMVXNG-UONOGXRCSA-N 0 3 276.384 2.088 20 30 CEEDHN CC(C#N)C(=O)NCc1cc(-c2ccccc2)no1 ZINC000347034995 226023338 /nfs/dbraw/zinc/02/33/38/226023338.db2.gz JTGDTPTUALYNLD-SNVBAGLBSA-N 0 3 255.277 2.117 20 30 CEEDHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCCN2C2CC2)O1 ZINC000329262392 227390547 /nfs/dbraw/zinc/39/05/47/227390547.db2.gz BEULTIFICCJVJT-RWMBFGLXSA-N 0 3 295.383 2.043 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCCC2(C)C)CC1 ZINC000171740584 335076890 /nfs/dbraw/zinc/07/68/90/335076890.db2.gz OZIPCDIJZIZWNC-UHFFFAOYSA-N 0 3 265.401 2.221 20 30 CEEDHN O=C(NC1CCCCC1)NC1CCN([C@H]2CCOC2)CC1 ZINC000329084119 227287987 /nfs/dbraw/zinc/28/79/87/227287987.db2.gz FNQTWWUIPFBWEV-HNNXBMFYSA-N 0 3 295.427 2.076 20 30 CEEDHN O=C(NC1CCN(C2CC2)CC1)c1conc1C1CC1 ZINC000329168666 227336321 /nfs/dbraw/zinc/33/63/21/227336321.db2.gz JFHBDTKYIDDWOB-UHFFFAOYSA-N 0 3 275.352 2.483 20 30 CEEDHN N#C[C@@H]1CCC[C@@H]1NC[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000331398899 228097449 /nfs/dbraw/zinc/09/74/49/228097449.db2.gz GUQVWCDARYQCFT-XIRDDKMYSA-N 0 3 297.402 2.431 20 30 CEEDHN CO[C@@H](CNCc1cnc2ccc(C#N)cn12)CC(C)C ZINC000418101993 228043284 /nfs/dbraw/zinc/04/32/84/228043284.db2.gz QWQAHGHHRFTWDA-OAHLLOKOSA-N 0 3 286.379 2.357 20 30 CEEDHN C[S@](=O)Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000353814410 228155887 /nfs/dbraw/zinc/15/58/87/228155887.db2.gz IMHNPXMHSSPDHA-KHYOSLBOSA-N 0 3 276.405 2.347 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(CN)c1 ZINC000667735332 419785819 /nfs/dbraw/zinc/78/58/19/419785819.db2.gz QNRJOKKWLULTNI-ZFWWWQNUSA-N 0 3 289.379 2.248 20 30 CEEDHN C=CCN(CCc1ccco1)[C@@H](C)CN1CCOCC1 ZINC000298787158 260162420 /nfs/dbraw/zinc/16/24/20/260162420.db2.gz DHHMIFSPJUEYGH-HNNXBMFYSA-N 0 3 278.396 2.031 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CCCN(CC(C)C)CC1 ZINC000363443282 260260445 /nfs/dbraw/zinc/26/04/45/260260445.db2.gz ZHLNZXYEGUVKLT-HNNXBMFYSA-N 0 3 282.428 2.158 20 30 CEEDHN CC1(C#N)CCC(NCc2nnc3ccccn32)CC1 ZINC000449232418 260301580 /nfs/dbraw/zinc/30/15/80/260301580.db2.gz UGOOYKJTASMQPG-UHFFFAOYSA-N 0 3 269.352 2.291 20 30 CEEDHN CC[C@H]1CCCCCN1CC(=O)N(CCC#N)CCC#N ZINC000150740567 260582843 /nfs/dbraw/zinc/58/28/43/260582843.db2.gz CBQWCHFCMDSOCE-HNNXBMFYSA-N 0 3 290.411 2.297 20 30 CEEDHN CCN(CC1CCC1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000361480896 261289290 /nfs/dbraw/zinc/28/92/90/261289290.db2.gz HMJBRKKIBMVKDL-LBPRGKRZSA-N 0 3 263.385 2.059 20 30 CEEDHN COC[C@H](NCCCSCC#N)c1ccco1 ZINC000184516952 262022407 /nfs/dbraw/zinc/02/24/07/262022407.db2.gz MHZFWEXXYCKEMM-NSHDSACASA-N 0 3 254.355 2.204 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](C)C2(CCC2)C1 ZINC000526058216 262027557 /nfs/dbraw/zinc/02/75/57/262027557.db2.gz TWUBXHNCHLJSSZ-KBPBESRZSA-N 0 3 289.423 2.449 20 30 CEEDHN CC(C[C@H](C)CCNC(=O)OC(C)(C)C)=Nn1cnnc1 ZINC000497200247 262103382 /nfs/dbraw/zinc/10/33/82/262103382.db2.gz GACXHXUHSXCPBB-LLVKDONJSA-N 0 3 295.387 2.443 20 30 CEEDHN C=C(CC)CNC[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000521030826 262193874 /nfs/dbraw/zinc/19/38/74/262193874.db2.gz CFYWAKCKOURVCF-OAHLLOKOSA-N 0 3 277.364 2.185 20 30 CEEDHN N#CCCCCN1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000364370298 262220577 /nfs/dbraw/zinc/22/05/77/262220577.db2.gz UCTCGCSQNIUCPG-UHFFFAOYSA-N 0 3 272.274 2.480 20 30 CEEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)CC1CCC1 ZINC000111296264 262260293 /nfs/dbraw/zinc/26/02/93/262260293.db2.gz CZIASKZDGKIUQO-UHFFFAOYSA-N 0 3 277.412 2.403 20 30 CEEDHN C#CCN(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160522750 262283561 /nfs/dbraw/zinc/28/35/61/262283561.db2.gz JOMNYMRKFFFADP-PBWFPOADSA-N 0 3 278.396 2.482 20 30 CEEDHN C#CCCN1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC000365402129 262364436 /nfs/dbraw/zinc/36/44/36/262364436.db2.gz CQLXASIMZKJQIK-KGLIPLIRSA-N 0 3 278.396 2.341 20 30 CEEDHN CC[C@H](C(=O)N(C)CC(C)(C)C#N)N(CC)CC ZINC000353189610 263045621 /nfs/dbraw/zinc/04/56/21/263045621.db2.gz YIBZIZLMMAKHOG-GFCCVEGCSA-N 0 3 253.390 2.115 20 30 CEEDHN CN(CC(F)(F)F)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279683954 263056863 /nfs/dbraw/zinc/05/68/63/263056863.db2.gz HCJMNXXEWQGJSX-GFCCVEGCSA-N 0 3 295.264 2.261 20 30 CEEDHN CC(C)CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279812770 263057580 /nfs/dbraw/zinc/05/75/80/263057580.db2.gz XMEWZJSYQNHNNG-OAHLLOKOSA-N 0 3 269.348 2.355 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCSC2)cc1 ZINC000280516025 263062607 /nfs/dbraw/zinc/06/26/07/263062607.db2.gz ROXOVDSRVLIPSS-GJZGRUSLSA-N 0 3 299.399 2.252 20 30 CEEDHN C=C[C@H](CC(=O)NC[C@H](C)N(C)C)c1ccccc1 ZINC000340071811 263066603 /nfs/dbraw/zinc/06/66/03/263066603.db2.gz AKOSKFSOIABZBJ-UONOGXRCSA-N 0 3 260.381 2.413 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc(OCC#N)cc1 ZINC000283052208 263080596 /nfs/dbraw/zinc/08/05/96/263080596.db2.gz JAGMGNINUNILRX-STQMWFEESA-N 0 3 290.363 2.266 20 30 CEEDHN C=CCOc1ccc(CNC[C@@H]2COCCO2)cc1Cl ZINC000340206223 263093252 /nfs/dbraw/zinc/09/32/52/263093252.db2.gz UUFUVRMFYURIFS-CYBMUJFWSA-N 0 3 297.782 2.410 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NCc1cccc(CN(C)C)c1 ZINC000285545448 263094100 /nfs/dbraw/zinc/09/41/00/263094100.db2.gz SBMAESFWFICJFQ-INIZCTEOSA-N 0 3 273.380 2.304 20 30 CEEDHN COc1ccc(C[C@@H](C)CNC(=O)C(C)C#N)cc1 ZINC000340428643 263141215 /nfs/dbraw/zinc/14/12/15/263141215.db2.gz XKLQVLXAWOCAFK-VXGBXAGGSA-N 0 3 260.337 2.150 20 30 CEEDHN CN(CCn1cc(Br)cn1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293725020 263147649 /nfs/dbraw/zinc/14/76/49/263147649.db2.gz YUQGYPVNDQBNMB-ZYHUDNBSSA-N 0 3 297.200 2.270 20 30 CEEDHN C[C@H]1CN(C(=O)c2ccc(CC#N)cc2)CCN(C2CC2)C1 ZINC000295404901 263177217 /nfs/dbraw/zinc/17/72/17/263177217.db2.gz RWZYAMADVMYFJP-CQSZACIVSA-N 0 3 297.402 2.309 20 30 CEEDHN COC[C@@]1(C)CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000296603881 263194249 /nfs/dbraw/zinc/19/42/49/263194249.db2.gz GIBXVNRMUINJLL-INIZCTEOSA-N 0 3 274.364 2.447 20 30 CEEDHN N#CCCCCN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296920709 263198093 /nfs/dbraw/zinc/19/80/93/263198093.db2.gz WQQNUZYMIWCRRB-UHFFFAOYSA-N 0 3 271.364 2.444 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(CC=C)Cc1ccccc1 ZINC000297477209 263205606 /nfs/dbraw/zinc/20/56/06/263205606.db2.gz MDIVBYCFICNGOG-UHFFFAOYSA-N 0 3 299.418 2.339 20 30 CEEDHN C#CCN(C)CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000298605501 263223001 /nfs/dbraw/zinc/22/30/01/263223001.db2.gz SRDXRXHLRWWAKN-UHFFFAOYSA-N 0 3 280.755 2.242 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C1(C#N)CCCC1 ZINC000341065387 263320691 /nfs/dbraw/zinc/32/06/91/263320691.db2.gz UVHZLPYYCUTICP-ZIAGYGMSSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N(C)CCN(C)C1CC1 ZINC000341374473 263334767 /nfs/dbraw/zinc/33/47/67/263334767.db2.gz LSMUASJWSOGPRQ-GFCCVEGCSA-N 0 3 253.390 2.077 20 30 CEEDHN CN(C)C(=O)C[C@H](NCCCC#N)c1ccccc1 ZINC000341502698 263340136 /nfs/dbraw/zinc/34/01/36/263340136.db2.gz CPWUBJKPGOAPOW-AWEZNQCLSA-N 0 3 259.353 2.099 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000342010811 263377678 /nfs/dbraw/zinc/37/76/78/263377678.db2.gz LXCTYMBXAZNSHF-SCRDCRAPSA-N 0 3 250.386 2.188 20 30 CEEDHN COCC1(C#N)CCN(CCCc2ccncc2)CC1 ZINC000341987194 263381084 /nfs/dbraw/zinc/38/10/84/263381084.db2.gz GZVNRFSHCKWMAS-UHFFFAOYSA-N 0 3 273.380 2.266 20 30 CEEDHN COCC1(C#N)CCN(CCCO[C@H]2CCCCO2)CC1 ZINC000341988190 263381209 /nfs/dbraw/zinc/38/12/09/263381209.db2.gz JPRBNEUYUDWAOH-HNNXBMFYSA-N 0 3 296.411 2.172 20 30 CEEDHN COC(C)(C)C[C@H](C)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000330764652 264032864 /nfs/dbraw/zinc/03/28/64/264032864.db2.gz JKEHLILXDUGFQM-STQMWFEESA-N 0 3 297.443 2.344 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc[nH]c1=O ZINC000330730888 264036793 /nfs/dbraw/zinc/03/67/93/264036793.db2.gz IPOXSJKPKROEIV-LBPRGKRZSA-N 0 3 277.368 2.356 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CCN1C ZINC000330889540 264064068 /nfs/dbraw/zinc/06/40/68/264064068.db2.gz BKGDHGIAKASCEM-MNOVXSKESA-N 0 3 277.324 2.382 20 30 CEEDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000330890018 264064208 /nfs/dbraw/zinc/06/42/08/264064208.db2.gz BQUJAPHEJRRLOR-GXSJLCMTSA-N 0 3 292.339 2.086 20 30 CEEDHN Cc1cc(CN2CCC[C@H](n3ccnn3)C2)ccc1C#N ZINC000425354655 264127339 /nfs/dbraw/zinc/12/73/39/264127339.db2.gz SEGCBYBUGWGPCD-INIZCTEOSA-N 0 3 281.363 2.295 20 30 CEEDHN CC1(NC(=O)C(C#N)CCc2ccccc2)CCOCC1 ZINC000331208338 264161604 /nfs/dbraw/zinc/16/16/04/264161604.db2.gz VUNRFFOZZNPVDS-HNNXBMFYSA-N 0 3 286.375 2.444 20 30 CEEDHN C=CCOc1cccc(CN(C)C[C@H](C)C(=O)NC)c1 ZINC000180292556 264396788 /nfs/dbraw/zinc/39/67/88/264396788.db2.gz HGGKGXBNYMFQDS-ZDUSSCGKSA-N 0 3 276.380 2.065 20 30 CEEDHN C#Cc1ccc(CNCCNC(=O)[C@H](C)CCC)cc1 ZINC000294073702 265005925 /nfs/dbraw/zinc/00/59/25/265005925.db2.gz YNIYMJPYEHGTJG-CQSZACIVSA-N 0 3 272.392 2.310 20 30 CEEDHN N#CC1(NC(=O)CN[C@@H](c2ccccc2)C2CC2)CCC1 ZINC000525886358 265034841 /nfs/dbraw/zinc/03/48/41/265034841.db2.gz DJIWWZFKTVWTMK-INIZCTEOSA-N 0 3 283.375 2.290 20 30 CEEDHN N#CC1(c2ccccn2)CCN(CCC2(O)CCC2)CC1 ZINC000519340408 265397091 /nfs/dbraw/zinc/39/70/91/265397091.db2.gz ALGJZOVOWGWVES-UHFFFAOYSA-N 0 3 285.391 2.244 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000520508074 265841808 /nfs/dbraw/zinc/84/18/08/265841808.db2.gz ILXYWQPTORTXCK-IMJJTQAJSA-N 0 3 294.439 2.204 20 30 CEEDHN CN(CCC#N)C(=O)CCN1CC[C@H]1c1ccccc1 ZINC000357022586 266233947 /nfs/dbraw/zinc/23/39/47/266233947.db2.gz TXSSJQBYFDPNTO-HNNXBMFYSA-N 0 3 271.364 2.196 20 30 CEEDHN C=CCOc1ccccc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000357412152 266291674 /nfs/dbraw/zinc/29/16/74/266291674.db2.gz KOJGTXDBUGYKKN-KBPBESRZSA-N 0 3 288.391 2.464 20 30 CEEDHN C=CCN(C(=O)N[C@H](C)CN1CCCCC1)C1CC1 ZINC000357566881 266326222 /nfs/dbraw/zinc/32/62/22/266326222.db2.gz HDFKTCMILKRZLC-CYBMUJFWSA-N 0 3 265.401 2.221 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000357785293 266361427 /nfs/dbraw/zinc/36/14/27/266361427.db2.gz BIPKYHIFVSJIIY-ZUZCIYMTSA-N 0 3 286.331 2.185 20 30 CEEDHN COc1ccc(CN(C(=O)C(C)C#N)C2CC2)cc1 ZINC000357835451 266374536 /nfs/dbraw/zinc/37/45/36/266374536.db2.gz RRZICSAGLYEHLH-LLVKDONJSA-N 0 3 258.321 2.346 20 30 CEEDHN COc1ccc(OC)c([C@H](C)NC(=O)C(C)C#N)c1 ZINC000357845693 266375908 /nfs/dbraw/zinc/37/59/08/266375908.db2.gz ZHJRVOJWQJINQJ-UWVGGRQHSA-N 0 3 262.309 2.041 20 30 CEEDHN CC(C#N)C(=O)NCc1ccnc(N2CCCCCC2)c1 ZINC000357965148 266390963 /nfs/dbraw/zinc/39/09/63/266390963.db2.gz PPYZIJRKGRPCHN-CYBMUJFWSA-N 0 3 286.379 2.238 20 30 CEEDHN N#CCC[C@@H](NC1CCN(C(N)=O)CC1)c1ccccc1 ZINC000358347481 266455440 /nfs/dbraw/zinc/45/54/40/266455440.db2.gz TYKNGNXNECRCBB-OAHLLOKOSA-N 0 3 286.379 2.164 20 30 CEEDHN CCCN(CCN1CCCCCC1)c1cncc(C#N)n1 ZINC000420641733 267013017 /nfs/dbraw/zinc/01/30/17/267013017.db2.gz UARFZKFYLRNGNI-UHFFFAOYSA-N 0 3 287.411 2.441 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000362803406 267048223 /nfs/dbraw/zinc/04/82/23/267048223.db2.gz ZFWOJLLAKVMYGL-FZKCQIBNSA-N 0 3 294.439 2.347 20 30 CEEDHN CCOC(=O)CCN(C)Cc1ccc(C#N)c(C)c1 ZINC000487923118 267116773 /nfs/dbraw/zinc/11/67/73/267116773.db2.gz VRCXOJIVCSDTHT-UHFFFAOYSA-N 0 3 260.337 2.252 20 30 CEEDHN CCO[C@@H]1CCCC[C@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000515060008 267145683 /nfs/dbraw/zinc/14/56/83/267145683.db2.gz FWTWMFODAGMFEY-HUUCEWRRSA-N 0 3 299.378 2.038 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(-n3ccnc3)nc2)C1 ZINC000368641001 267193823 /nfs/dbraw/zinc/19/38/23/267193823.db2.gz BYKPQEMQVURKRX-UKRRQHHQSA-N 0 3 281.363 2.439 20 30 CEEDHN CC[C@@H](NCc1ccc(C#N)c(C)c1)[C@H](O)C(F)F ZINC000449424431 267195847 /nfs/dbraw/zinc/19/58/47/267195847.db2.gz PVMDEVKLVCUMSQ-OLZOCXBDSA-N 0 3 268.307 2.361 20 30 CEEDHN C#CCN1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000368680611 267197881 /nfs/dbraw/zinc/19/78/81/267197881.db2.gz ODTQHHLXQNKVAF-AWEZNQCLSA-N 0 3 284.407 2.207 20 30 CEEDHN CC[C@H](NC[C@H](O)COCC1CC1)c1ccc(C#N)cc1 ZINC000447537147 267222188 /nfs/dbraw/zinc/22/21/88/267222188.db2.gz SUTUGFBCZZAWKW-IRXDYDNUSA-N 0 3 288.391 2.386 20 30 CEEDHN CC[C@H](NCc1cc(C#N)cs1)[C@@H](O)C(F)F ZINC000449420831 267222322 /nfs/dbraw/zinc/22/23/22/267222322.db2.gz GWSSEUHNNMKLJS-VHSXEESVSA-N 0 3 260.309 2.114 20 30 CEEDHN CC[C@H]1CN(CC)CCN1Cc1cc(C#N)ccc1OC ZINC000451746300 267232267 /nfs/dbraw/zinc/23/22/67/267232267.db2.gz ZBMIGWKAWIGNSU-INIZCTEOSA-N 0 3 287.407 2.483 20 30 CEEDHN CN1CC[C@H](CNC(=O)C(C)(C)C#N)[C@H]1c1cccs1 ZINC000369569023 267251213 /nfs/dbraw/zinc/25/12/13/267251213.db2.gz MUWZSRPPFKJAPI-YPMHNXCESA-N 0 3 291.420 2.407 20 30 CEEDHN C#CC[C@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000369753972 267263058 /nfs/dbraw/zinc/26/30/58/267263058.db2.gz UAWCOMIPQVMBPE-HNNXBMFYSA-N 0 3 299.418 2.362 20 30 CEEDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(C#N)o1 ZINC000429804647 267280664 /nfs/dbraw/zinc/28/06/64/267280664.db2.gz GQZLOYAEGAIQTD-CQSZACIVSA-N 0 3 297.358 2.054 20 30 CEEDHN CCC(=O)N1CCCN(CCCC(C)(C)C#N)CC1 ZINC000370002243 267281407 /nfs/dbraw/zinc/28/14/07/267281407.db2.gz NEYQMVAIKUJNEW-UHFFFAOYSA-N 0 3 265.401 2.261 20 30 CEEDHN C#CCN1CC[C@@]2(CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000370100136 267290903 /nfs/dbraw/zinc/29/09/03/267290903.db2.gz FHJZHPCXQOYVSN-CJNGLKHVSA-N 0 3 278.396 2.389 20 30 CEEDHN C[C@H]1CN(CCC2CCN(CCC#N)CC2)C[C@H](C)O1 ZINC000370206505 267299286 /nfs/dbraw/zinc/29/92/86/267299286.db2.gz BBQXIGCSDKUQRW-GJZGRUSLSA-N 0 3 279.428 2.111 20 30 CEEDHN C#Cc1ccc(CN[C@@H]2CCCc3c2cnn3CCO)cc1 ZINC000370736399 267343163 /nfs/dbraw/zinc/34/31/63/267343163.db2.gz CTZOVHOXXIQVSE-QGZVFWFLSA-N 0 3 295.386 2.024 20 30 CEEDHN C#CC[C@@H](C)NC(=O)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000370746577 267344868 /nfs/dbraw/zinc/34/48/68/267344868.db2.gz FFWPOAFNRWKAHA-NVXWUHKLSA-N 0 3 299.418 2.362 20 30 CEEDHN Fc1ccc(C#CCN2CCC[C@H](c3nc[nH]n3)C2)cc1 ZINC000371299209 267385598 /nfs/dbraw/zinc/38/55/98/267385598.db2.gz DTPZTVIJPYOZFH-AWEZNQCLSA-N 0 3 284.338 2.175 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000305839360 268006812 /nfs/dbraw/zinc/00/68/12/268006812.db2.gz YKXOLSJFLNDZRF-JYJNAYRXSA-N 0 3 296.455 2.282 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H](c3ccncc3)C2)nc1 ZINC000515069742 268222471 /nfs/dbraw/zinc/22/24/71/268222471.db2.gz MSBPTKPXDNYZDU-OAHLLOKOSA-N 0 3 264.332 2.338 20 30 CEEDHN N#Cc1ccc([C@H](NCCC2CC(F)(F)C2)C(N)=O)cc1 ZINC000419302159 268263288 /nfs/dbraw/zinc/26/32/88/268263288.db2.gz PCLJQBPKBCWCFG-ZDUSSCGKSA-N 0 3 293.317 2.110 20 30 CEEDHN C[C@@H](N[C@H](CO)CC(F)F)c1ccc(C#N)c(F)c1 ZINC000429444000 271331804 /nfs/dbraw/zinc/33/18/04/271331804.db2.gz ARQYKHGBBFWCOG-KCJUWKMLSA-N 0 3 272.270 2.364 20 30 CEEDHN O[C@@H]1CC[C@H]2CN(CC#Cc3ccc(Cl)cc3)C[C@H]12 ZINC000344034131 275054443 /nfs/dbraw/zinc/05/44/43/275054443.db2.gz GKDXZXDMPIETLV-CWRNSKLLSA-N 0 3 275.779 2.394 20 30 CEEDHN C#CCN(C)CCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000295121390 275380585 /nfs/dbraw/zinc/38/05/85/275380585.db2.gz YRRJQVZYIZNIJR-OAHLLOKOSA-N 0 3 278.346 2.497 20 30 CEEDHN CN(C)C1(CNC(=O)[C@@]2(C#N)CC23CCCC3)CCC1 ZINC000333760429 276768980 /nfs/dbraw/zinc/76/89/80/276768980.db2.gz ZONIFWHXZMZPQN-INIZCTEOSA-N 0 3 275.396 2.061 20 30 CEEDHN CN1CC[C@@H](Nc2cnc(C#N)cn2)[C@H]1c1ccccc1 ZINC000274651587 277139005 /nfs/dbraw/zinc/13/90/05/277139005.db2.gz GPTPLKTZTZVYEH-GDBMZVCRSA-N 0 3 279.347 2.206 20 30 CEEDHN CN1CC[C@@H]2CCN(c3ccc(C#N)cc3F)[C@@H]2C1 ZINC000272226703 277146754 /nfs/dbraw/zinc/14/67/54/277146754.db2.gz TUGQCVHHKMQKEK-IUODEOHRSA-N 0 3 259.328 2.228 20 30 CEEDHN COC(=O)[C@H]1CCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000265537517 277396542 /nfs/dbraw/zinc/39/65/42/277396542.db2.gz QSWPDMADHWHBAO-RISCZKNCSA-N 0 3 258.321 2.114 20 30 CEEDHN C[C@@H](NCCC(C)(C)S(C)(=O)=O)c1ccc(C#N)cc1 ZINC000414274534 278342985 /nfs/dbraw/zinc/34/29/85/278342985.db2.gz ZHNHBHIPPQICRM-GFCCVEGCSA-N 0 3 294.420 2.422 20 30 CEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(C#N)cc1 ZINC000285875793 278899445 /nfs/dbraw/zinc/89/94/45/278899445.db2.gz QODCBVOEZMSROX-CZUORRHYSA-N 0 3 283.375 2.257 20 30 CEEDHN COC[C@@H](NCc1ccc(F)c(C#N)c1)C(C)C ZINC000230627989 280219000 /nfs/dbraw/zinc/21/90/00/280219000.db2.gz KECVEWISPSAITM-CQSZACIVSA-N 0 3 250.317 2.458 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000249281926 280390756 /nfs/dbraw/zinc/39/07/56/280390756.db2.gz NUGPNIRIWNTVPQ-RDJZCZTQSA-N 0 3 299.418 2.273 20 30 CEEDHN Cc1ccc(OC[C@H](O)CNCc2cccc(C#N)c2)cc1 ZINC000314547334 289283573 /nfs/dbraw/zinc/28/35/73/289283573.db2.gz DMZNSIHNINHQRD-QGZVFWFLSA-N 0 3 296.370 2.396 20 30 CEEDHN CN1CC[C@]2(CCN(C(=O)[C@]3(C#N)CC34CCCC4)C2)C1 ZINC000334633391 290251150 /nfs/dbraw/zinc/25/11/50/290251150.db2.gz FPSKNXCBPFFLGG-DOTOQJQBSA-N 0 3 287.407 2.015 20 30 CEEDHN COC(C)(C)CN(C)Cc1cnc2ccc(C#N)cn12 ZINC000537724408 298218109 /nfs/dbraw/zinc/21/81/09/298218109.db2.gz CTGZHDFOZVAEHB-UHFFFAOYSA-N 0 3 272.352 2.063 20 30 CEEDHN COC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)C(C)C ZINC000543453553 298309149 /nfs/dbraw/zinc/30/91/49/298309149.db2.gz OMZIWZZOPSPJLS-SWLSCSKDSA-N 0 3 289.379 2.146 20 30 CEEDHN C[C@@H](NCC1([S@](C)=O)CC1)c1ccc(OCC#N)cc1 ZINC000282518536 327683764 /nfs/dbraw/zinc/68/37/64/327683764.db2.gz ZLWMEWFORQKYDO-ODXCJYRJSA-N 0 3 292.404 2.151 20 30 CEEDHN CC[C@@H](NCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000182334188 312816164 /nfs/dbraw/zinc/81/61/64/312816164.db2.gz OQJAJHGRTSOHEO-HUUCEWRRSA-N 0 3 287.363 2.044 20 30 CEEDHN CC1(C)C(NCc2cnc3c(C#N)cnn3c2)C1(C)C ZINC000567887260 313916202 /nfs/dbraw/zinc/91/62/02/313916202.db2.gz GDVOHCLAYFBANF-UHFFFAOYSA-N 0 3 269.352 2.125 20 30 CEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1cccc(C#N)n1 ZINC000576277693 314258930 /nfs/dbraw/zinc/25/89/30/314258930.db2.gz NENZIKNCZVDNAB-TZMCWYRMSA-N 0 3 299.378 2.044 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N1CC[C@H](N2CCCCC2)C1)OCC ZINC000339360196 328007966 /nfs/dbraw/zinc/00/79/66/328007966.db2.gz DWPKVZJHZKTSLD-JKSUJKDBSA-N 0 3 294.439 2.445 20 30 CEEDHN C=CCn1c(CC)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000563548899 328073062 /nfs/dbraw/zinc/07/30/62/328073062.db2.gz CDKNHXSTWKSXIS-AWEZNQCLSA-N 0 3 289.427 2.091 20 30 CEEDHN C[C@@H]1OCC[C@H]1N(CCO)CCC1(C#N)CCCCC1 ZINC000411664262 328098066 /nfs/dbraw/zinc/09/80/66/328098066.db2.gz QPVXKLNTSHCDOP-LSDHHAIUSA-N 0 3 280.412 2.322 20 30 CEEDHN C=CCN1CCC(NC(=O)N(CCC)CC(F)F)CC1 ZINC000171741891 329079913 /nfs/dbraw/zinc/07/99/13/329079913.db2.gz GLGKYLKKFKKTLU-UHFFFAOYSA-N 0 3 289.370 2.324 20 30 CEEDHN CN(C)C1(CNC[C@@H](C#N)CCC#N)Cc2ccccc2C1 ZINC000571515946 328130957 /nfs/dbraw/zinc/13/09/57/328130957.db2.gz DPVHAQZVONXRJW-OAHLLOKOSA-N 0 3 296.418 2.119 20 30 CEEDHN CN(C)C1(CNC[C@H](C#N)CCC#N)Cc2ccccc2C1 ZINC000571515945 328130991 /nfs/dbraw/zinc/13/09/91/328130991.db2.gz DPVHAQZVONXRJW-HNNXBMFYSA-N 0 3 296.418 2.119 20 30 CEEDHN CCCN(CC(C)(C)CCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000161122652 328133731 /nfs/dbraw/zinc/13/37/31/328133731.db2.gz MSSAXXLVQIUFKY-ZDUSSCGKSA-N 0 3 286.441 2.215 20 30 CEEDHN CCCN(CC#N)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000413199261 328142327 /nfs/dbraw/zinc/14/23/27/328142327.db2.gz IQBCUZWNWRBOSU-AVGNSLFASA-N 0 3 251.374 2.010 20 30 CEEDHN Cc1nn2c(CNCCCCC#N)c(C)nc2s1 ZINC000271195645 328195990 /nfs/dbraw/zinc/19/59/90/328195990.db2.gz HQMGXAZZXSRXLZ-UHFFFAOYSA-N 0 3 263.370 2.191 20 30 CEEDHN C=CCC[C@H](NCCNC(=O)C1CC1)c1ccco1 ZINC000353408093 328200625 /nfs/dbraw/zinc/20/06/25/328200625.db2.gz XZXUPEGMDXUDFQ-ZDUSSCGKSA-N 0 3 262.353 2.403 20 30 CEEDHN CC(C)(C#N)CCCN1CCC(N2CCCC2=O)CC1 ZINC000174848359 329163973 /nfs/dbraw/zinc/16/39/73/329163973.db2.gz RCEQVUWZRBWJSB-UHFFFAOYSA-N 0 3 277.412 2.403 20 30 CEEDHN N#CCCOCCN1CCC[C@H]1COc1ccccc1 ZINC000296393773 328290465 /nfs/dbraw/zinc/29/04/65/328290465.db2.gz SSYRRXNYAQVGHT-HNNXBMFYSA-N 0 3 274.364 2.460 20 30 CEEDHN CC[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)N(C)C ZINC000298809910 328297612 /nfs/dbraw/zinc/29/76/12/328297612.db2.gz FVOWQSQDYDCGFS-OLZOCXBDSA-N 0 3 279.771 2.361 20 30 CEEDHN C[C@H]1OCC[C@]1(C)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000579964338 321905344 /nfs/dbraw/zinc/90/53/44/321905344.db2.gz CYIQGIXJPPSNIG-YGRLFVJLSA-N 0 3 275.308 2.124 20 30 CEEDHN Cc1oc(NC(=O)CN[C@@H]2CCC2(C)C)c(C#N)c1C ZINC000580213176 321924465 /nfs/dbraw/zinc/92/44/65/321924465.db2.gz IXNQRWIXPAHQIA-GFCCVEGCSA-N 0 3 275.352 2.485 20 30 CEEDHN C[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000580956771 322357579 /nfs/dbraw/zinc/35/75/79/322357579.db2.gz FOAOWAZBBVWBHH-BXUZGUMPSA-N 0 3 289.335 2.371 20 30 CEEDHN N#Cc1ccc(C2=CCN(CC[C@H]3CCNC3=O)CC2)cc1 ZINC000581377737 322392172 /nfs/dbraw/zinc/39/21/72/322392172.db2.gz NHTSOJXXMAZWHR-QGZVFWFLSA-N 0 3 295.386 2.174 20 30 CEEDHN N#CCSCCCN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305130806 328392603 /nfs/dbraw/zinc/39/26/03/328392603.db2.gz JUQUWLXBLBIMQW-LLVKDONJSA-N 0 3 296.358 2.268 20 30 CEEDHN C=CCc1cc(CNCCc2cnccn2)cc(OC)c1O ZINC000341291617 328404790 /nfs/dbraw/zinc/40/47/90/328404790.db2.gz HWKDCBSOESSXIE-UHFFFAOYSA-N 0 3 299.374 2.252 20 30 CEEDHN C=CCCN(C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415893381 328429786 /nfs/dbraw/zinc/42/97/86/328429786.db2.gz KKECLKMEFQYGMC-UHFFFAOYSA-N 0 3 259.353 2.372 20 30 CEEDHN C=CCCC[C@H](C)NCc1cn(C)nc1C(=O)OCC ZINC000186393561 329343767 /nfs/dbraw/zinc/34/37/67/329343767.db2.gz KZPZTBUVWGMBMK-LBPRGKRZSA-N 0 3 279.384 2.431 20 30 CEEDHN CC(C)N(CCC#N)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000530817470 326892359 /nfs/dbraw/zinc/89/23/59/326892359.db2.gz ZAKWWJAMIYIODV-CHWSQXEVSA-N 0 3 251.374 2.010 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000125416533 327253457 /nfs/dbraw/zinc/25/34/57/327253457.db2.gz HEYCXBYXGHBZFH-MNOVXSKESA-N 0 3 296.317 2.077 20 30 CEEDHN C=C(Br)CNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000153539958 327346617 /nfs/dbraw/zinc/34/66/17/327346617.db2.gz AABHFTRUBMYFPC-JQWIXIFHSA-N 0 3 297.196 2.347 20 30 CEEDHN CC[C@H](C)N[C@@H](CNC(=O)NC[C@H](C)C#N)c1ccco1 ZINC000561514325 327400138 /nfs/dbraw/zinc/40/01/38/327400138.db2.gz PJIKPBCDXJRXKU-AGIUHOORSA-N 0 3 292.383 2.168 20 30 CEEDHN C=CCN(CCC#N)C(=O)Nc1cccc2c1CCNC2 ZINC000582348650 328967540 /nfs/dbraw/zinc/96/75/40/328967540.db2.gz JCBHKRGCWCRLBA-UHFFFAOYSA-N 0 3 284.363 2.266 20 30 CEEDHN C#Cc1ccc(CN2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000377671434 329023777 /nfs/dbraw/zinc/02/37/77/329023777.db2.gz GTDBVKOWAUSWAD-UHFFFAOYSA-N 0 3 264.328 2.327 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC000185331112 329270712 /nfs/dbraw/zinc/27/07/12/329270712.db2.gz KPAPTIUPAKJBAH-CABCVRRESA-N 0 3 264.413 2.435 20 30 CEEDHN N#CC1(CNC2CCN(CCC(F)(F)F)CC2)CC1 ZINC000584387564 329317380 /nfs/dbraw/zinc/31/73/80/329317380.db2.gz QKKIKAYHAIJPRH-UHFFFAOYSA-N 0 3 275.318 2.297 20 30 CEEDHN C=CC[C@@H](C)N[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185929575 329332917 /nfs/dbraw/zinc/33/29/17/329332917.db2.gz MZTUMHDELSEXPW-ZWNOBZJWSA-N 0 3 266.772 2.291 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CCC1 ZINC000189185871 329376712 /nfs/dbraw/zinc/37/67/12/329376712.db2.gz FRIDXAYOWKVZFY-CHWSQXEVSA-N 0 3 262.397 2.474 20 30 CEEDHN CCC(=O)N1CC[C@@H](NC2CC(C#N)(c3ccccc3)C2)C1 ZINC000127759930 329601987 /nfs/dbraw/zinc/60/19/87/329601987.db2.gz KHJRMSAIKHORRR-KLHKWILBSA-N 0 3 297.402 2.211 20 30 CEEDHN C=CCCCCCNCc1cnc2c(C#N)cnn2c1 ZINC000572135278 329948609 /nfs/dbraw/zinc/94/86/09/329948609.db2.gz SIOQUYQLHPLVET-UHFFFAOYSA-N 0 3 269.352 2.437 20 30 CEEDHN C[C@H]1CCC[C@@]1(O)CNC(=N)Nc1cc(F)ccc1F ZINC000263099935 330043500 /nfs/dbraw/zinc/04/35/00/330043500.db2.gz JUPTVOZPEAZSTQ-LKFCYVNXSA-N 0 3 283.322 2.243 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(CCc2cccs2)CC1 ZINC000268518305 330066009 /nfs/dbraw/zinc/06/60/09/330066009.db2.gz FFDUYJLPHUKRPI-OAHLLOKOSA-N 0 3 294.464 2.235 20 30 CEEDHN C#CCN(CC)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000274206233 330104234 /nfs/dbraw/zinc/10/42/34/330104234.db2.gz MFOIVLJIUJEYPQ-DOTOQJQBSA-N 0 3 299.418 2.172 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]2CC)CC1 ZINC000162729871 330110604 /nfs/dbraw/zinc/11/06/04/330110604.db2.gz BZYWSEPCUKANCK-HIFRSBDPSA-N 0 3 262.397 2.027 20 30 CEEDHN CC[C@@H](O)CNCc1cccc(OCCCC#N)c1 ZINC000422085388 330123831 /nfs/dbraw/zinc/12/38/31/330123831.db2.gz MIJJGJMAANSEOM-CQSZACIVSA-N 0 3 262.353 2.230 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000424072551 330220284 /nfs/dbraw/zinc/22/02/84/330220284.db2.gz YOIYSNBQMCCNKV-LBPRGKRZSA-N 0 3 256.309 2.128 20 30 CEEDHN CCCCCc1nnc(NC(=O)[C@@H](N)CCCC#N)s1 ZINC000424081184 330222000 /nfs/dbraw/zinc/22/20/00/330222000.db2.gz UTVROXCVZAFQAN-JTQLQIEISA-N 0 3 295.412 2.230 20 30 CEEDHN Cc1nc(-c2cccc(NC(=O)[C@@H](N)CCCC#N)c2)no1 ZINC000424088753 330224417 /nfs/dbraw/zinc/22/44/17/330224417.db2.gz HKEMPQJZOYGMBJ-ZDUSSCGKSA-N 0 3 299.334 2.005 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000424095470 330226854 /nfs/dbraw/zinc/22/68/54/330226854.db2.gz WHKICXLKOGCFOO-HOCLYGCPSA-N 0 3 285.391 2.244 20 30 CEEDHN CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000424098917 330230745 /nfs/dbraw/zinc/23/07/45/330230745.db2.gz UQPFBWHWLVVZMH-JHJVBQTASA-N 0 3 251.374 2.093 20 30 CEEDHN CCC1CCC(CNC(=O)[C@H](N)CCCC#N)CC1 ZINC000424099291 330231471 /nfs/dbraw/zinc/23/14/71/330231471.db2.gz IXYBKGJERBOUPR-JXQTWKCFSA-N 0 3 265.401 2.340 20 30 CEEDHN C[C@@H](c1ccccc1F)N(C)C(=O)[C@H](N)CCCC#N ZINC000424104939 330234039 /nfs/dbraw/zinc/23/40/39/330234039.db2.gz VIOVSTVHXDNGTQ-SMDDNHRTSA-N 0 3 277.343 2.366 20 30 CEEDHN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@H](N)CCCC#N ZINC000424126724 330259098 /nfs/dbraw/zinc/25/90/98/330259098.db2.gz PQPUHEJBERTJAF-FVQBIDKESA-N 0 3 285.391 2.412 20 30 CEEDHN Cc1nc2cc(NC(=O)[C@H](N)CCCC#N)ccc2o1 ZINC000424130534 330261452 /nfs/dbraw/zinc/26/14/52/330261452.db2.gz FMNVXMVGZCCHSY-LLVKDONJSA-N 0 3 272.308 2.096 20 30 CEEDHN CSc1ccc(N(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000424138910 330277878 /nfs/dbraw/zinc/27/78/78/330277878.db2.gz NEIQWHNZQXMWRF-CYBMUJFWSA-N 0 3 277.393 2.392 20 30 CEEDHN CCS[C@@H]1CCCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424146752 330293281 /nfs/dbraw/zinc/29/32/81/330293281.db2.gz XEJHEPCAULFWQS-CHWSQXEVSA-N 0 3 283.441 2.142 20 30 CEEDHN CCO[C@H](CCNC(=O)[C@H](N)CCCC#N)C1CCCC1 ZINC000424153201 330299853 /nfs/dbraw/zinc/29/98/53/330299853.db2.gz MPZSSTRIWOJHDT-HUUCEWRRSA-N 0 3 295.427 2.109 20 30 CEEDHN Cn1cc2ccc(CN[C@@H]3CC[C@H](C#N)C3)cc2n1 ZINC000527963975 330301020 /nfs/dbraw/zinc/30/10/20/330301020.db2.gz SLNGQBGXCOZMIY-SMDDNHRTSA-N 0 3 254.337 2.355 20 30 CEEDHN Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@@H](N)CCCC#N ZINC000424178021 330317724 /nfs/dbraw/zinc/31/77/24/330317724.db2.gz VUKCTLNBYXHUNX-ZDUSSCGKSA-N 0 3 297.362 2.345 20 30 CEEDHN Cc1c(NC(=O)[C@H](N)CCCC#N)cccc1N(C)C ZINC000424178116 330318142 /nfs/dbraw/zinc/31/81/42/330318142.db2.gz VXMREYDVBVIBDY-GFCCVEGCSA-N 0 3 274.368 2.021 20 30 CEEDHN COc1cc(CN[C@@H]2CC[C@H](C#N)C2)cc(OC)c1 ZINC000424197203 330325552 /nfs/dbraw/zinc/32/55/52/330325552.db2.gz NRPPZTOPCKXFBT-WCQYABFASA-N 0 3 260.337 2.486 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(OC)ncc1F ZINC000424291501 330334914 /nfs/dbraw/zinc/33/49/14/330334914.db2.gz DNFWWDUMCQPBQP-MJVIPROJSA-N 0 3 280.343 2.471 20 30 CEEDHN CC(C)c1cccc(CNC[C@H](O)CN(C)CCC#N)c1 ZINC000514932037 330467401 /nfs/dbraw/zinc/46/74/01/330467401.db2.gz ARAXJBCTSLSQJC-KRWDZBQOSA-N 0 3 289.423 2.106 20 30 CEEDHN N#CCc1ccc(CN2CCC(O)(C(F)F)CC2)cc1 ZINC000426498598 330510991 /nfs/dbraw/zinc/51/09/91/330510991.db2.gz VDKANOHOOWBGSX-UHFFFAOYSA-N 0 3 280.318 2.345 20 30 CEEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(-n2cnnn2)cc1 ZINC000430740459 330572266 /nfs/dbraw/zinc/57/22/66/330572266.db2.gz KPFSLOAEYZTXHV-LBPRGKRZSA-N 0 3 282.351 2.007 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CO[C@@H](C)C1)C(C)C ZINC000439270277 330736202 /nfs/dbraw/zinc/73/62/02/330736202.db2.gz HPYFRKCHAQJUBS-ARFHVFGLSA-N 0 3 294.439 2.226 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(C(F)(F)F)n[nH]1 ZINC000441371252 330767021 /nfs/dbraw/zinc/76/70/21/330767021.db2.gz SRLGGJNAGOAUCO-CABZTGNLSA-N 0 3 289.301 2.499 20 30 CEEDHN COCC[C@]1(NCC#Cc2cccc(Cl)c2)CCOC1 ZINC000447381432 330865926 /nfs/dbraw/zinc/86/59/26/330865926.db2.gz HIBSLZSANZBFBE-INIZCTEOSA-N 0 3 293.794 2.477 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@](C)(COC)C1 ZINC000451195734 331019849 /nfs/dbraw/zinc/01/98/49/331019849.db2.gz VBOVJNKYRRMYQQ-GOEBONIOSA-N 0 3 282.428 2.158 20 30 CEEDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCC1(C#N)CC1 ZINC000451239966 331021570 /nfs/dbraw/zinc/02/15/70/331021570.db2.gz XZDWVYDUZVWJGL-NEPJUHHUSA-N 0 3 250.342 2.002 20 30 CEEDHN N#CCC[C@H](C#N)CN1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451334218 331024680 /nfs/dbraw/zinc/02/46/80/331024680.db2.gz BKZKIFQJIWVHRA-QXSJWSMHSA-N 0 3 275.396 2.445 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(NC(C)=O)c1 ZINC000451669344 331038241 /nfs/dbraw/zinc/03/82/41/331038241.db2.gz AGHVHIQGQKUFLO-CVEARBPZSA-N 0 3 274.364 2.468 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)CC1CCCCC1 ZINC000451673056 331038409 /nfs/dbraw/zinc/03/84/09/331038409.db2.gz KAWXFIAQNJILOV-CVEARBPZSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1c(C)nc2ccccn21 ZINC000451678517 331038784 /nfs/dbraw/zinc/03/87/84/331038784.db2.gz WUUUULXMNNHNFB-HIFRSBDPSA-N 0 3 271.364 2.466 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](CC(C)(C)C)C1 ZINC000452081177 331053311 /nfs/dbraw/zinc/05/33/11/331053311.db2.gz PWOXVYHBPNWXRW-STQMWFEESA-N 0 3 295.427 2.145 20 30 CEEDHN C=CCc1cc(CN[C@@H]2CCC[C@H]2O)cc(OC)c1O ZINC000453610811 331136316 /nfs/dbraw/zinc/13/63/16/331136316.db2.gz GKSRLJCCJXYRKS-ZIAGYGMSSA-N 0 3 277.364 2.132 20 30 CEEDHN C=C(CC)CNC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000454496837 331147451 /nfs/dbraw/zinc/14/74/51/331147451.db2.gz CLOJXSSNPDDYJF-UONOGXRCSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCC[C@H](CO)NC(=O)C(C#N)CCc1ccccc1 ZINC000456757645 331200551 /nfs/dbraw/zinc/20/05/51/331200551.db2.gz BFYFHRBXJQRUPY-JKSUJKDBSA-N 0 3 286.375 2.202 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)Nc1cc(C)cc(CN)c1 ZINC000457366046 331220028 /nfs/dbraw/zinc/22/00/28/331220028.db2.gz CNMPVSNUEZUOOK-LBPRGKRZSA-N 0 3 262.353 2.373 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC000458332863 331249104 /nfs/dbraw/zinc/24/91/04/331249104.db2.gz KKJBRNSVGJXEAE-ZBFHGGJFSA-N 0 3 279.428 2.371 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N1CCCN(CC)CC1 ZINC000458806712 331260235 /nfs/dbraw/zinc/26/02/35/331260235.db2.gz CZTAYXYLRXMLEV-UHFFFAOYSA-N 0 3 267.417 2.326 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458985718 331264098 /nfs/dbraw/zinc/26/40/98/331264098.db2.gz IYUUDGBVMAUOJI-ZDUSSCGKSA-N 0 3 279.428 2.324 20 30 CEEDHN C=C(C)CCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000459009972 331266168 /nfs/dbraw/zinc/26/61/68/331266168.db2.gz VVALZKAOOBDJJW-UHFFFAOYSA-N 0 3 267.417 2.468 20 30 CEEDHN C=C(CC)CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000459080796 331269586 /nfs/dbraw/zinc/26/95/86/331269586.db2.gz QHUANIILGBXYLL-UHFFFAOYSA-N 0 3 265.401 2.222 20 30 CEEDHN C=C(CC)CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000459104671 331270529 /nfs/dbraw/zinc/27/05/29/331270529.db2.gz VOLOMAHAOAFFCG-RBSFLKMASA-N 0 3 279.428 2.324 20 30 CEEDHN CC(C)(CC#N)CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000459254726 331273304 /nfs/dbraw/zinc/27/33/04/331273304.db2.gz FYRPVHGKVBPLIO-AWEZNQCLSA-N 0 3 292.427 2.196 20 30 CEEDHN C=C[C@H](CO)N[C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC000459557855 331287816 /nfs/dbraw/zinc/28/78/16/331287816.db2.gz FDMSXRPBNVFXBB-DTZQCDIJSA-N 0 3 293.432 2.461 20 30 CEEDHN C=CCC[C@@H](CCC)N[C@H](CO)c1ccnn1C ZINC000459701996 331295105 /nfs/dbraw/zinc/29/51/05/331295105.db2.gz FOLUPLFIQXFSCW-CHWSQXEVSA-N 0 3 251.374 2.178 20 30 CEEDHN Cc1nn2c(CNCC(C)(C)CC#N)c(C)nc2s1 ZINC000459737803 331297147 /nfs/dbraw/zinc/29/71/47/331297147.db2.gz WWAYFVNHANAZFW-UHFFFAOYSA-N 0 3 277.397 2.437 20 30 CEEDHN C=CCCCN1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488729128 332022087 /nfs/dbraw/zinc/02/20/87/332022087.db2.gz DIPTZGYMXQGVGK-CQSZACIVSA-N 0 3 265.401 2.030 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000488965364 332035996 /nfs/dbraw/zinc/03/59/96/332035996.db2.gz LQKPTVOEHHWASU-UONOGXRCSA-N 0 3 275.396 2.086 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCc3c2cccc3C)CC1 ZINC000490614544 332095267 /nfs/dbraw/zinc/09/52/67/332095267.db2.gz AGQCRNBHLYMVAS-SFHVURJKSA-N 0 3 296.414 2.444 20 30 CEEDHN C#C[C@@H](NC(=O)[C@H]1CCCN1C1CCCC1)C(C)C ZINC000490637805 332098915 /nfs/dbraw/zinc/09/89/15/332098915.db2.gz SVSAPQGRSZNXBA-HUUCEWRRSA-N 0 3 262.397 2.167 20 30 CEEDHN C#CCN(C(=O)CN(C)CCC)C1CCCCC1 ZINC000490694867 332102029 /nfs/dbraw/zinc/10/20/29/332102029.db2.gz BJUPIMOCBXINQV-UHFFFAOYSA-N 0 3 250.386 2.123 20 30 CEEDHN C#CCN(CC)CCOCC(F)(F)C(F)(F)F ZINC000490739987 332110800 /nfs/dbraw/zinc/11/08/00/332110800.db2.gz LUMWXLIUVZTFJE-UHFFFAOYSA-N 0 3 259.218 2.156 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000491277428 332179606 /nfs/dbraw/zinc/17/96/06/332179606.db2.gz OQIDNCXNXYZJMU-DOTOQJQBSA-N 0 3 299.418 2.487 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000491414566 332207444 /nfs/dbraw/zinc/20/74/44/332207444.db2.gz DBYQTERULRHSGK-DOTOQJQBSA-N 0 3 299.418 2.314 20 30 CEEDHN C#C[C@@H](NC(=O)N(CCC)CCN1CCCC1)C(C)C ZINC000491465768 332217238 /nfs/dbraw/zinc/21/72/38/332217238.db2.gz YAWLGWSGGQCOKG-OAHLLOKOSA-N 0 3 279.428 2.162 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@]2(C)CCCC[C@H]2C)CC1 ZINC000491535833 332231710 /nfs/dbraw/zinc/23/17/10/332231710.db2.gz GAWCXUZWTZUIOM-PBHICJAKSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCNC(=O)C1CCN(Cc2cc(C)ccc2F)CC1 ZINC000491622447 332247400 /nfs/dbraw/zinc/24/74/00/332247400.db2.gz FBSXOTWPWUKNLJ-UHFFFAOYSA-N 0 3 288.366 2.096 20 30 CEEDHN C#CCNC(=O)C1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000491637427 332258265 /nfs/dbraw/zinc/25/82/65/332258265.db2.gz VONOETVLMYHUEH-UHFFFAOYSA-N 0 3 296.414 2.137 20 30 CEEDHN C#CCNC(=O)C1CCN(Cc2ccc(CF)cc2)CC1 ZINC000491734337 332315026 /nfs/dbraw/zinc/31/50/26/332315026.db2.gz IUJLATOWMOGVRZ-UHFFFAOYSA-N 0 3 288.366 2.118 20 30 CEEDHN C#C[C@H](C)N(C)Cc1ccc(COCCOC)cc1 ZINC000491809449 332362223 /nfs/dbraw/zinc/36/22/23/332362223.db2.gz GNACGDKLZUBORO-AWEZNQCLSA-N 0 3 261.365 2.303 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](C2CC2)C2CCC2)CC1 ZINC000491810917 332363502 /nfs/dbraw/zinc/36/35/02/332363502.db2.gz APGXJZVRVWICQE-MRXNPFEDSA-N 0 3 274.408 2.027 20 30 CEEDHN CC#CCN1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000493785242 332454057 /nfs/dbraw/zinc/45/40/57/332454057.db2.gz ZXZJUZPJKDTXOJ-UHFFFAOYSA-N 0 3 266.385 2.246 20 30 CEEDHN CN1C(=O)C[C@H](NCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000494208689 332466898 /nfs/dbraw/zinc/46/68/98/332466898.db2.gz MSWDHQPANFZMJT-DZGCQCFKSA-N 0 3 293.317 2.130 20 30 CEEDHN C=CCC[C@@H](O)CN(C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000177507929 333059823 /nfs/dbraw/zinc/05/98/23/333059823.db2.gz ITVOQORASDRMFD-CHWSQXEVSA-N 0 3 286.416 2.159 20 30 CEEDHN CCC[C@@H](C#N)NC(=O)C1CN(C2CCCCC2)C1 ZINC000517308100 333097362 /nfs/dbraw/zinc/09/73/62/333097362.db2.gz WVHBAPVISJHLER-ZDUSSCGKSA-N 0 3 263.385 2.059 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2[C@H](C)[C@H]2C2CC2)CC1 ZINC000528447383 333438606 /nfs/dbraw/zinc/43/86/06/333438606.db2.gz HBURGGPOSIFUTN-UHOFOFEASA-N 0 3 276.424 2.435 20 30 CEEDHN C=CC[C@@H](CO)NCc1cnc(-c2ccccc2)nc1 ZINC000545960028 334009107 /nfs/dbraw/zinc/00/91/07/334009107.db2.gz BEZXPWQINVTYFE-HNNXBMFYSA-N 0 3 269.348 2.170 20 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C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000581053420 336001225 /nfs/dbraw/zinc/00/12/25/336001225.db2.gz KVOTVWLLTBVLJZ-GCSSGZNBSA-N 0 3 294.439 2.251 20 30 CEEDHN C=C(C)COc1cc(CNCCCO)ccc1OC ZINC000067697203 518612081 /nfs/dbraw/zinc/61/20/81/518612081.db2.gz JNEMSYZJEHLCGG-UHFFFAOYSA-N 0 3 265.353 2.122 20 30 CEEDHN C[C@H](C(=O)N[C@H]1CC[C@@H](CC#N)C1)N1CCCCCC1 ZINC000331465700 534295014 /nfs/dbraw/zinc/29/50/14/534295014.db2.gz BPPXPFOOQCSKGS-ILXRZTDVSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CCN1CCC(N[C@@H](c2nccn2C)C2CC2)CC1 ZINC000183272267 518860821 /nfs/dbraw/zinc/86/08/21/518860821.db2.gz KEGNOCBJRXWACN-OAHLLOKOSA-N 0 3 274.412 2.111 20 30 CEEDHN C=CC[C@@H](C)N[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000183329196 519095157 /nfs/dbraw/zinc/09/51/57/519095157.db2.gz RMQYDLBESRDGHA-OLZOCXBDSA-N 0 3 267.394 2.403 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(OC(F)F)c(OC)c1 ZINC000184271203 519104254 /nfs/dbraw/zinc/10/42/54/519104254.db2.gz KBQXMPDMGUYMFG-NSHDSACASA-N 0 3 287.306 2.323 20 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CC[C@@H](C)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000068450337 522050159 /nfs/dbraw/zinc/05/01/59/522050159.db2.gz XTSUDIPBSHJGLO-CYBMUJFWSA-N 0 3 265.401 2.402 20 30 CEEDHN CC[C@H](C)N1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000055066488 523954670 /nfs/dbraw/zinc/95/46/70/523954670.db2.gz BBGRDIRUTYWBPM-WMLDXEAASA-N 0 3 287.407 2.008 20 30 CEEDHN CC(C)(C)NC(=O)CCNCc1ccc(C#N)c(F)c1 ZINC000404249640 526305630 /nfs/dbraw/zinc/30/56/30/526305630.db2.gz JJNJZOPUMPQCOF-UHFFFAOYSA-N 0 3 277.343 2.092 20 30 CEEDHN C=CCN1CCC(NC(=O)C23CCC(CC2)C3)CC1 ZINC000345029189 526421051 /nfs/dbraw/zinc/42/10/51/526421051.db2.gz MYGBQJTYQKWTKK-UHFFFAOYSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCN1CC[C@@H](N2CCSC3(CCC3)CC2)C1=O ZINC000334732707 526482645 /nfs/dbraw/zinc/48/26/45/526482645.db2.gz ORDDCZIKSQDYJF-CYBMUJFWSA-N 0 3 280.437 2.135 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000352539810 526488902 /nfs/dbraw/zinc/48/89/02/526488902.db2.gz CXSVNRHOGBYSBV-KGLIPLIRSA-N 0 3 267.417 2.467 20 30 CEEDHN N#Cc1ccc(F)c(CN2CCCC[C@H]2C(=N)NO)c1 ZINC000363774230 526638055 /nfs/dbraw/zinc/63/80/55/526638055.db2.gz DKFALWVSZSTIRF-ZDUSSCGKSA-N 0 3 276.315 2.008 20 30 CEEDHN N#Cc1cccc(Cl)c1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000364862580 526713755 /nfs/dbraw/zinc/71/37/55/526713755.db2.gz HWCHIKBHIVOKEB-OLZOCXBDSA-N 0 3 291.782 2.487 20 30 CEEDHN C=CCOCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000354689976 526718008 /nfs/dbraw/zinc/71/80/08/526718008.db2.gz CKDQAIJXXXCRJA-ZBFHGGJFSA-N 0 3 288.391 2.141 20 30 CEEDHN CC(=O)NCC[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000347668572 526762616 /nfs/dbraw/zinc/76/26/16/526762616.db2.gz RHAWPIOPFHWLGG-SFHVURJKSA-N 0 3 284.403 2.276 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1C(=O)NCCN1CCCC(C)(C)C1 ZINC000347415374 526787052 /nfs/dbraw/zinc/78/70/52/526787052.db2.gz BDCYDZZHLXJVAY-CABCVRRESA-N 0 3 294.439 2.206 20 30 CEEDHN Cc1nc(N(C)[C@H]2CCN(C)C[C@@H]2C)ccc1C#N ZINC000291839366 526952079 /nfs/dbraw/zinc/95/20/79/526952079.db2.gz GRNCZQFLQWSNEJ-FZMZJTMJSA-N 0 3 258.369 2.038 20 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C=CCC[C@@H](NC[C@H]1COCCO1)c1ccco1 ZINC000353404000 527449799 /nfs/dbraw/zinc/44/97/99/527449799.db2.gz LPFUAGYEQPCLIM-QWHCGFSZSA-N 0 3 251.326 2.292 20 30 CEEDHN CC(C)(C#N)CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000334865919 527482852 /nfs/dbraw/zinc/48/28/52/527482852.db2.gz IZPBMHZDXARIOT-UHFFFAOYSA-N 0 3 272.352 2.004 20 30 CEEDHN CC(C)(C)C(=O)N1CCC(N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000350461257 527570081 /nfs/dbraw/zinc/57/00/81/527570081.db2.gz MXVJLNGUDAIJMY-TZMCWYRMSA-N 0 3 277.412 2.305 20 30 CEEDHN C=C[C@](C)(CC)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000347160090 527609573 /nfs/dbraw/zinc/60/95/73/527609573.db2.gz MVNGQWXCHMGQFC-GDBMZVCRSA-N 0 3 282.428 2.206 20 30 CEEDHN CCN(C)CCNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000356112661 527795519 /nfs/dbraw/zinc/79/55/19/527795519.db2.gz PCYPKHXHXGWSEO-OAHLLOKOSA-N 0 3 273.380 2.142 20 30 CEEDHN CC(C)[C@@H](C(=O)N1CCC(C#N)CC1)N1CCCCC1 ZINC000334889877 528352632 /nfs/dbraw/zinc/35/26/32/528352632.db2.gz IIGGULLYSODXKP-HNNXBMFYSA-N 0 3 277.412 2.259 20 30 CEEDHN 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C#CC1(N[C@@H]2CCC3(C[C@H]2F)OCCO3)CCCC1 ZINC000896025717 630439149 /nfs/dbraw/zinc/43/91/49/630439149.db2.gz QEMQNZCXLOETHD-CHWSQXEVSA-N 0 3 267.344 2.156 20 30 CEEDHN COC(=O)[C@@H]1[C@H](CNCc2ccc(C)c(C#N)c2)C1(F)F ZINC000896880710 630699737 /nfs/dbraw/zinc/69/97/37/630699737.db2.gz LZDMZEUBYWLVNE-STQMWFEESA-N 0 3 294.301 2.011 20 30 CEEDHN CC[C@H](C)[C@H](OC)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000796629776 630858607 /nfs/dbraw/zinc/85/86/07/630858607.db2.gz ABBYXGRFVDHQKS-FMSQNYNMSA-N 0 3 275.352 2.331 20 30 CEEDHN Cc1ccccc1CCC(=O)C(C#N)C(=O)NC(C)C ZINC000103639289 631023029 /nfs/dbraw/zinc/02/30/29/631023029.db2.gz PKUHDEHIINDITK-AWEZNQCLSA-N 0 3 272.348 2.161 20 30 CEEDHN CCc1ccccc1NNC1=CC(=O)N2CCCC12 ZINC000799476039 631030702 /nfs/dbraw/zinc/03/07/02/631030702.db2.gz SPKPWPDXXJHPLA-AWEZNQCLSA-N 0 3 257.337 2.412 20 30 CEEDHN Cc1ccc(C(=O)N[C@@H](C)CN2CCCCC2)cc1C#N ZINC000799555415 631043905 /nfs/dbraw/zinc/04/39/05/631043905.db2.gz FDSZYCJFUFZCGW-AWEZNQCLSA-N 0 3 285.391 2.471 20 30 CEEDHN C[C@@H]1C[C@H](C)[C@@H](C(=O)C(C#N)C(=O)Nc2ccccc2)O1 ZINC000800385572 631117269 /nfs/dbraw/zinc/11/72/69/631117269.db2.gz ZVRSVLFQEDSARD-MDHDOXDCSA-N 0 3 286.331 2.147 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc(Cl)ccc1OC ZINC000320694915 631152165 /nfs/dbraw/zinc/15/21/65/631152165.db2.gz XEEFTKDFCBHRGF-LBPRGKRZSA-N 0 3 255.745 2.375 20 30 CEEDHN N#Cc1ccc(NCCNCc2cnc(C3CC3)s2)nc1 ZINC000897398424 631286583 /nfs/dbraw/zinc/28/65/83/631286583.db2.gz DNATZLCDXAQUPS-UHFFFAOYSA-N 0 3 299.403 2.489 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)c1cc(C#N)ccc1F ZINC000822100629 634850413 /nfs/dbraw/zinc/85/04/13/634850413.db2.gz FCCQSWDWXCWYED-GFCCVEGCSA-N 0 3 289.354 2.302 20 30 CEEDHN C=CCN1CCC(NC(=O)NC2(C3CC3)CCC2)CC1 ZINC000888186176 631503262 /nfs/dbraw/zinc/50/32/62/631503262.db2.gz YHWNDYJRMGUOFT-UHFFFAOYSA-N 0 3 277.412 2.269 20 30 CEEDHN CCSCC(=NNC1=NC[C@H](C)N1)c1ccccc1 ZINC000807981973 631896750 /nfs/dbraw/zinc/89/67/50/631896750.db2.gz ULVKQWOOUYPTPY-NSHDSACASA-N 0 3 276.409 2.081 20 30 CEEDHN C#C[C@H](CC)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000808296591 631946595 /nfs/dbraw/zinc/94/65/95/631946595.db2.gz RPPZOAFYXGZFHT-DJIMGWMZSA-N 0 3 299.418 2.360 20 30 CEEDHN C#C[C@H](NC(=O)NC[C@H]1CCCCN1C1CC1)C(C)(C)C ZINC000808296998 631947171 /nfs/dbraw/zinc/94/71/71/631947171.db2.gz UIQYNHYTHHQXAU-CABCVRRESA-N 0 3 291.439 2.350 20 30 CEEDHN Cc1cc(CN[C@H]2COc3ccccc3[C@H]2O)ccc1C#N ZINC000808453711 631965590 /nfs/dbraw/zinc/96/55/90/631965590.db2.gz JUSPCIJWMFQPIP-FUHWJXTLSA-N 0 3 294.354 2.451 20 30 CEEDHN C[C@H](Cc1ccc(Cl)cc1)N(C)C[C@H](O)CC#N ZINC000809574033 632098985 /nfs/dbraw/zinc/09/89/85/632098985.db2.gz DJZAOIFLGZWSSW-BXUZGUMPSA-N 0 3 266.772 2.477 20 30 CEEDHN N#CC1(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)CCCC1 ZINC000809607419 632109571 /nfs/dbraw/zinc/10/95/71/632109571.db2.gz YZQWVZHTLJIXKB-KGLIPLIRSA-N 0 3 298.342 2.243 20 30 CEEDHN C#Cc1ccc(CN[C@@H](CO)CC(F)(F)F)cc1 ZINC000809630629 632116773 /nfs/dbraw/zinc/11/67/73/632116773.db2.gz ZYIGCJIZJMJHSR-GFCCVEGCSA-N 0 3 257.255 2.071 20 30 CEEDHN C#C[C@H](C)NCc1ccc(Cl)cc1-n1cncn1 ZINC000809683463 632127061 /nfs/dbraw/zinc/12/70/61/632127061.db2.gz BZZMIUKFCNLXNK-JTQLQIEISA-N 0 3 260.728 2.032 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C3CC3)nc2C)C1 ZINC000989465722 632177085 /nfs/dbraw/zinc/17/70/85/632177085.db2.gz MYYVAXFTKRTLIU-IUODEOHRSA-N 0 3 297.402 2.093 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2ccc(CC)cc2)C1 ZINC000989491312 632186917 /nfs/dbraw/zinc/18/69/17/632186917.db2.gz FMGBLMRHFKDXIY-PBHICJAKSA-N 0 3 284.403 2.004 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc(C)c2Cl)C1 ZINC000989569457 632205710 /nfs/dbraw/zinc/20/57/10/632205710.db2.gz TZGAIYZKWVZUNN-STQMWFEESA-N 0 3 290.794 2.474 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3cccnc3s2)C1 ZINC000989642545 632216294 /nfs/dbraw/zinc/21/62/94/632216294.db2.gz IOGDSPYGIKOFQX-YPMHNXCESA-N 0 3 299.399 2.122 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000989740546 632235391 /nfs/dbraw/zinc/23/53/91/632235391.db2.gz ZMPUJXXOSZCUMU-DOMZBBRYSA-N 0 3 290.794 2.095 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000989780225 632241962 /nfs/dbraw/zinc/24/19/62/632241962.db2.gz ZSHSYJWSGRYMRB-DYVFJYSZSA-N 0 3 282.387 2.001 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc3cnccc32)C1 ZINC000989796108 632244524 /nfs/dbraw/zinc/24/45/24/632244524.db2.gz HMFBXLYVGLAHJR-UKRRQHHQSA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2sccc2CC)C1 ZINC000989823078 632250997 /nfs/dbraw/zinc/25/09/97/632250997.db2.gz RHYLKOUIPRJWOD-YPMHNXCESA-N 0 3 276.405 2.136 20 30 CEEDHN C[C@H](C#N)CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000810722025 632266475 /nfs/dbraw/zinc/26/64/75/632266475.db2.gz LRNUHYGFEFQFDH-MLGOLLRUSA-N 0 3 295.402 2.350 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)C3CC(F)(F)C3)CCC[C@H]12 ZINC000990175278 632323179 /nfs/dbraw/zinc/32/31/79/632323179.db2.gz INMCWSBWGISIAL-DZGCQCFKSA-N 0 3 296.361 2.168 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CCCOCC3)CCC[C@@H]12 ZINC000990476820 632367531 /nfs/dbraw/zinc/36/75/31/632367531.db2.gz PQHRQLKKOWKSOV-ZMSDIMECSA-N 0 3 292.423 2.102 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc[nH]c3CC)CCC[C@@H]12 ZINC000990491526 632368996 /nfs/dbraw/zinc/36/89/96/632368996.db2.gz DLNXJKYRLIXSKG-WBVHZDCISA-N 0 3 287.407 2.490 20 30 CEEDHN COC[C@H](C)[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000813059579 632612255 /nfs/dbraw/zinc/61/22/55/632612255.db2.gz CFFHZBUYDUEIKG-SGMGOOAPSA-N 0 3 288.347 2.253 20 30 CEEDHN CCOCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813217794 632650814 /nfs/dbraw/zinc/65/08/14/632650814.db2.gz PBQSWVWMBUAKFW-SECBINFHSA-N 0 3 272.226 2.313 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1 ZINC000899141995 632713213 /nfs/dbraw/zinc/71/32/13/632713213.db2.gz QIGUAJMSFZCKKD-QGZVFWFLSA-N 0 3 282.387 2.415 20 30 CEEDHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc(C#N)o1 ZINC000814299656 632821326 /nfs/dbraw/zinc/82/13/26/632821326.db2.gz BFSJGHXBOFKFJR-UHFFFAOYSA-N 0 3 299.330 2.474 20 30 CEEDHN C[C@H]1CNC(NN=C2CC(c3cc(F)cc(F)c3)C2)=N1 ZINC000814898164 632918377 /nfs/dbraw/zinc/91/83/77/632918377.db2.gz QXUXZLPKBSRYIJ-PEHGTWAWSA-N 0 3 278.306 2.136 20 30 CEEDHN Nc1ccc2c(c1)C(=NN[C@@H]1CCSC1)CCC2 ZINC000814933633 632934524 /nfs/dbraw/zinc/93/45/24/632934524.db2.gz VCOUPNDHDZLYRB-GFCCVEGCSA-N 0 3 261.394 2.404 20 30 CEEDHN OCCNN=Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000814943890 632938332 /nfs/dbraw/zinc/93/83/32/632938332.db2.gz XDLYKWKMBHFALD-UHFFFAOYSA-N 0 3 295.386 2.165 20 30 CEEDHN C[C@@H](O)CNN=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000814959845 632941078 /nfs/dbraw/zinc/94/10/78/632941078.db2.gz LPFDHISFHCWXCQ-RUOLSZCKSA-N 0 3 273.380 2.254 20 30 CEEDHN COc1ccccc1C(C)(C)NCCOCCC#N ZINC000815068827 632954212 /nfs/dbraw/zinc/95/42/12/632954212.db2.gz FGSWTCVEMKILHV-UHFFFAOYSA-N 0 3 262.353 2.450 20 30 CEEDHN CCc1ccc(C#CC(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1 ZINC000815562028 633031404 /nfs/dbraw/zinc/03/14/04/633031404.db2.gz VRHLJQVBJVFGRJ-SFHVURJKSA-N 0 3 296.414 2.296 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC2(C#N)CC2)c1 ZINC000815907860 633077172 /nfs/dbraw/zinc/07/71/72/633077172.db2.gz MRJHWRBYIMHVHE-ZDUSSCGKSA-N 0 3 281.315 2.336 20 30 CEEDHN COc1cccc(NC(=O)C(C#N)C(=O)CC2(C#N)CC2)c1 ZINC000815906959 633077646 /nfs/dbraw/zinc/07/76/46/633077646.db2.gz NYDOBEFJNNGBMC-CYBMUJFWSA-N 0 3 297.314 2.036 20 30 CEEDHN CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000816950986 633568482 /nfs/dbraw/zinc/56/84/82/633568482.db2.gz FHZCVRAHYITQQQ-KKUMJFAQSA-N 0 3 295.427 2.120 20 30 CEEDHN CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000816950984 633569035 /nfs/dbraw/zinc/56/90/35/633569035.db2.gz FHZCVRAHYITQQQ-ILXRZTDVSA-N 0 3 295.427 2.120 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000818584559 633952217 /nfs/dbraw/zinc/95/22/17/633952217.db2.gz OTZGJAIARDVUML-IBGZPJMESA-N 0 3 298.430 2.352 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@H]1CCCC[C@@H]1C ZINC000818612032 633959836 /nfs/dbraw/zinc/95/98/36/633959836.db2.gz LGKBTCRTHPQHKH-LSDHHAIUSA-N 0 3 264.413 2.274 20 30 CEEDHN N#CCC[C@@H](C#N)CNC[C@@H]1CCCN1CC(F)(F)F ZINC000901572385 634194853 /nfs/dbraw/zinc/19/48/53/634194853.db2.gz KNDKDCMKORIOHL-RYUDHWBXSA-N 0 3 288.317 2.046 20 30 CEEDHN OCCN1CCC(N=Nc2cccc3c2CCCC3)CC1 ZINC000819805780 634267328 /nfs/dbraw/zinc/26/73/28/634267328.db2.gz BFYHBPZWJONEIO-UHFFFAOYSA-N 0 3 287.407 2.421 20 30 CEEDHN C[C@@H](NCC1(CO)CCCC1)c1cc(C#N)ccn1 ZINC000902957267 634913057 /nfs/dbraw/zinc/91/30/57/634913057.db2.gz ICLXLRGVQXIAHQ-GFCCVEGCSA-N 0 3 259.353 2.157 20 30 CEEDHN CC[C@@H](N[C@H]1CC(=O)N(CC)C1)c1cccc(C#N)c1 ZINC000903007984 634936819 /nfs/dbraw/zinc/93/68/19/634936819.db2.gz JMYKQVSUSLRTLV-LSDHHAIUSA-N 0 3 271.364 2.220 20 30 CEEDHN C[C@H](N[C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1cc(C#N)ccn1 ZINC000903048686 634954669 /nfs/dbraw/zinc/95/46/69/634954669.db2.gz RUGSWTVFZVOCEG-LUPJNAFFSA-N 0 3 291.420 2.294 20 30 CEEDHN N#Cc1cc(Cl)cc(CN2CC[C@@H](F)[C@H](N)C2)c1 ZINC000903464532 635130977 /nfs/dbraw/zinc/13/09/77/635130977.db2.gz QZTUKCSDGBVCNY-CHWSQXEVSA-N 0 3 267.735 2.083 20 30 CEEDHN C=CCSCC[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823936974 635307823 /nfs/dbraw/zinc/30/78/23/635307823.db2.gz BXXLPFBVYXFZSW-LLVKDONJSA-N 0 3 289.408 2.437 20 30 CEEDHN C=CCSCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823936974 635307830 /nfs/dbraw/zinc/30/78/30/635307830.db2.gz BXXLPFBVYXFZSW-LLVKDONJSA-N 0 3 289.408 2.437 20 30 CEEDHN COC(=O)C1(C#N)CCN(CC2Cc3ccccc3C2)CC1 ZINC000824871407 635517137 /nfs/dbraw/zinc/51/71/37/635517137.db2.gz FLJWTOBWUDMSOZ-UHFFFAOYSA-N 0 3 298.386 2.180 20 30 CEEDHN Cc1c(C#N)c(=O)n(C)cc1-c1ccc(CN(C)C)s1 ZINC000904859948 635742593 /nfs/dbraw/zinc/74/25/93/635742593.db2.gz TXRUEIKAXHIPIL-UHFFFAOYSA-N 0 3 287.388 2.356 20 30 CEEDHN COc1ccc(C)cc1/C=C1\C(=O)c2ncnn2C1C ZINC000905083162 635798346 /nfs/dbraw/zinc/79/83/46/635798346.db2.gz ZVFCESXNGIIYDZ-VPMLRQHESA-N 0 3 269.304 2.436 20 30 CEEDHN COc1cccc(C)c1/C=C1/C(=O)c2ncnn2C1C ZINC000905083399 635798661 /nfs/dbraw/zinc/79/86/61/635798661.db2.gz CUCFAEHSJYDCFH-QVIVLVACSA-N 0 3 269.304 2.436 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCCC[C@@H]1C1CCC1 ZINC000827114370 636219897 /nfs/dbraw/zinc/21/98/97/636219897.db2.gz KDKCKDXZQLFVLP-MRXNPFEDSA-N 0 3 291.439 2.306 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000905378867 636254802 /nfs/dbraw/zinc/25/48/02/636254802.db2.gz PXLDKQSEYANDKW-OCUYMYNFSA-N 0 3 289.423 2.307 20 30 CEEDHN C#Cc1cnc(N[C@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000827299866 636285725 /nfs/dbraw/zinc/28/57/25/636285725.db2.gz VFTPJNIHSPHVQL-INIZCTEOSA-N 0 3 278.359 2.144 20 30 CEEDHN C#CCCN(CCOC)Cc1cc(OC)cc(OC)c1 ZINC000827817770 636432934 /nfs/dbraw/zinc/43/29/34/636432934.db2.gz KAASEFMBRVBJMA-UHFFFAOYSA-N 0 3 277.364 2.176 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)c1ccsc1C#N ZINC000906174112 636636819 /nfs/dbraw/zinc/63/68/19/636636819.db2.gz XIGHTDAMDOXUKM-LLVKDONJSA-N 0 3 277.393 2.224 20 30 CEEDHN C#C[C@H](NC[C@H](Cc1ccccc1)OC)[C@@H]1CCCO1 ZINC000828954451 636735085 /nfs/dbraw/zinc/73/50/85/636735085.db2.gz SYYCPHKGMXBSEQ-ULQDDVLXSA-N 0 3 273.376 2.015 20 30 CEEDHN C#CCN(C(=O)c1c(F)cccc1F)C1CCN(C)CC1 ZINC000906452428 636746677 /nfs/dbraw/zinc/74/66/77/636746677.db2.gz RUQXAHLZCRLICW-UHFFFAOYSA-N 0 3 292.329 2.134 20 30 CEEDHN C#CC1(O)CCN([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906590337 636787897 /nfs/dbraw/zinc/78/78/97/636787897.db2.gz PIGJSSVQRAEMEI-HUUCEWRRSA-N 0 3 259.324 2.142 20 30 CEEDHN Cc1cc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)cc(C)c1C#N ZINC000906654663 636811279 /nfs/dbraw/zinc/81/12/79/636811279.db2.gz LPAJLFRQSFZRAP-INIZCTEOSA-N 0 3 297.402 2.484 20 30 CEEDHN C#CC[C@H]1CCCN(CC(=O)N2CCCC[C@H]2C)C1 ZINC000829774283 636926534 /nfs/dbraw/zinc/92/65/34/636926534.db2.gz OPDSAOOXNXYVOL-CABCVRRESA-N 0 3 262.397 2.123 20 30 CEEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)NCCC(C)C)C1 ZINC000829775025 636928064 /nfs/dbraw/zinc/92/80/64/636928064.db2.gz XKIMWYLJBPYGCJ-GJZGRUSLSA-N 0 3 264.413 2.273 20 30 CEEDHN C#CC1CCN([C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000830311576 637032702 /nfs/dbraw/zinc/03/27/02/637032702.db2.gz POSWJYABKGWQEC-ZDUSSCGKSA-N 0 3 290.432 2.141 20 30 CEEDHN CC[C@H](CO)N(C)Cc1cc(Cl)ccc1OCC#N ZINC000830343675 637042501 /nfs/dbraw/zinc/04/25/01/637042501.db2.gz BKDULWCTURIREK-CYBMUJFWSA-N 0 3 282.771 2.445 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccccc1OC ZINC000876557582 650326254 /nfs/dbraw/zinc/32/62/54/650326254.db2.gz ZUBRUBWVVWDFGS-JQWIXIFHSA-N 0 3 282.771 2.342 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)C(C)(C)N1CCCCC1 ZINC000908400551 637332688 /nfs/dbraw/zinc/33/26/88/637332688.db2.gz IRGVBCDHGAQTRT-UHFFFAOYSA-N 0 3 265.401 2.259 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCOc1ccccc1 ZINC000876567542 650334668 /nfs/dbraw/zinc/33/46/68/650334668.db2.gz OPZVYYRYNCYJAS-ZDUSSCGKSA-N 0 3 282.771 2.042 20 30 CEEDHN C=CCN(C)C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000831808452 637439786 /nfs/dbraw/zinc/43/97/86/637439786.db2.gz IDHDXNHOYZKJQR-NSHDSACASA-N 0 3 267.760 2.078 20 30 CEEDHN CC#CCN(C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831818389 637442205 /nfs/dbraw/zinc/44/22/05/637442205.db2.gz BARQPWUMSITRRI-UHFFFAOYSA-N 0 3 266.385 2.389 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2sccc2C1 ZINC000876573471 650337007 /nfs/dbraw/zinc/33/70/07/650337007.db2.gz RWSIEVYGFVQSHN-SNVBAGLBSA-N 0 3 270.785 2.103 20 30 CEEDHN CC(C)C#CC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000832319927 637544635 /nfs/dbraw/zinc/54/46/35/637544635.db2.gz NAJMCQZUHSLZHU-YOEHRIQHSA-N 0 3 272.392 2.453 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1cccc(C)c1 ZINC000876587441 650347599 /nfs/dbraw/zinc/34/75/99/650347599.db2.gz RXQVWHUVSSGQJS-ZDUSSCGKSA-N 0 3 266.772 2.423 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(CC)s1 ZINC000876598256 650352448 /nfs/dbraw/zinc/35/24/48/650352448.db2.gz LYSARQXCTMUESN-NSHDSACASA-N 0 3 272.801 2.397 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCc1ccc(F)cc1 ZINC000876606627 650356659 /nfs/dbraw/zinc/35/66/59/650356659.db2.gz GYDMJMAYATVDSG-ZDUSSCGKSA-N 0 3 284.762 2.297 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(F)cc1F ZINC000876613132 650359740 /nfs/dbraw/zinc/35/97/40/650359740.db2.gz JFYFYNKRRKMIEI-GFCCVEGCSA-N 0 3 288.725 2.093 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCOc1cc(C)cc(C)c1 ZINC000876615781 650360507 /nfs/dbraw/zinc/36/05/07/650360507.db2.gz DJAAKCDDJIRCNX-CQSZACIVSA-N 0 3 296.798 2.268 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCc2c1cccc2OC ZINC000876645920 650373681 /nfs/dbraw/zinc/37/36/81/650373681.db2.gz PYMDHGKFKQVBTL-QWHCGFSZSA-N 0 3 294.782 2.269 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC)C[C@H]1CCCCO1 ZINC000876649219 650374929 /nfs/dbraw/zinc/37/49/29/650374929.db2.gz PBJFPEMZZDVBQQ-CHWSQXEVSA-N 0 3 288.819 2.264 20 30 CEEDHN CCN1CCCN(C(=O)c2ccc(C#N)cc2C)[C@H](C)C1 ZINC000910279529 637973286 /nfs/dbraw/zinc/97/32/86/637973286.db2.gz ARNATGJMNKRCET-CQSZACIVSA-N 0 3 285.391 2.423 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000876663551 650385800 /nfs/dbraw/zinc/38/58/00/650385800.db2.gz XYFVIQNDECCAGH-BSJXLVFVSA-N 0 3 258.793 2.397 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCOc2cc(F)ccc21 ZINC000876667774 650389584 /nfs/dbraw/zinc/38/95/84/650389584.db2.gz MSLBZFVQTVXSBS-JTQLQIEISA-N 0 3 284.718 2.021 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(CCOC)CCCC1 ZINC000876692590 650402389 /nfs/dbraw/zinc/40/23/89/650402389.db2.gz CVWHRQMIPPXOEG-LBPRGKRZSA-N 0 3 288.819 2.169 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN1CCC[C@@H](CCO)C1 ZINC000876694646 650403288 /nfs/dbraw/zinc/40/32/88/650403288.db2.gz UGUXJAKRDYOFQK-AWEZNQCLSA-N 0 3 287.407 2.219 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000876778016 650428940 /nfs/dbraw/zinc/42/89/40/650428940.db2.gz WSHISZLWVYOVPQ-CYBMUJFWSA-N 0 3 299.777 2.296 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(OC)ccc1OC ZINC000911940600 638493740 /nfs/dbraw/zinc/49/37/40/638493740.db2.gz QAILFJZTXYYYTE-GFCCVEGCSA-N 0 3 278.352 2.326 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCN(C)c2ccccc21 ZINC000876769094 650426382 /nfs/dbraw/zinc/42/63/82/650426382.db2.gz NXFTUCDCCYLIPG-LBPRGKRZSA-N 0 3 293.798 2.329 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1nc(C)cs1)C1CC1 ZINC000876772662 650427424 /nfs/dbraw/zinc/42/74/24/650427424.db2.gz PWHSKHHBDYWSTJ-WDEREUQCSA-N 0 3 299.827 2.489 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1nnc(CCC)s1 ZINC000912068672 638547044 /nfs/dbraw/zinc/54/70/44/638547044.db2.gz RKEGRKRJFSFYAJ-VIFPVBQESA-N 0 3 268.386 2.113 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1nc(C2CC2)cs1 ZINC000836218103 638575797 /nfs/dbraw/zinc/57/57/97/638575797.db2.gz QQSYHDUPMWOOQD-UHFFFAOYSA-N 0 3 292.408 2.097 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1ccsc1 ZINC000836447293 638637080 /nfs/dbraw/zinc/63/70/80/638637080.db2.gz UMIUHLGGODCZKX-GFCCVEGCSA-N 0 3 279.409 2.063 20 30 CEEDHN C[Si](C)(C)C#CCCNC(=O)[C@H]1CCN1C1CCCC1 ZINC000912330233 638641690 /nfs/dbraw/zinc/64/16/90/638641690.db2.gz KKWSHKISGRARAK-OAHLLOKOSA-N 0 3 292.499 2.390 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000876882619 650472065 /nfs/dbraw/zinc/47/20/65/650472065.db2.gz MSBUWMUEENJIND-LBPRGKRZSA-N 0 3 279.771 2.369 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)C[C@H](C)c1nccs1 ZINC000876884819 650473099 /nfs/dbraw/zinc/47/30/99/650473099.db2.gz KQUGTVCCYQJFMB-WPRPVWTQSA-N 0 3 287.816 2.175 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)c1nc(C)cs1 ZINC000876885512 650473977 /nfs/dbraw/zinc/47/39/77/650473977.db2.gz YROLYRWWGBSLNB-XCBNKYQSSA-N 0 3 287.816 2.141 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2cccc(F)c21 ZINC000876893619 650477058 /nfs/dbraw/zinc/47/70/58/650477058.db2.gz GTEZWQUTMYSVQC-NSHDSACASA-N 0 3 268.719 2.185 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC12CCCCC2 ZINC000876888650 650475338 /nfs/dbraw/zinc/47/53/38/650475338.db2.gz UFQCEGWNDFRAQE-WDEREUQCSA-N 0 3 256.777 2.295 20 30 CEEDHN CCOCCCNCc1cc(C#N)cnc1Cl ZINC000876905699 650480598 /nfs/dbraw/zinc/48/05/98/650480598.db2.gz XDHABTVLIWFAHF-UHFFFAOYSA-N 0 3 253.733 2.123 20 30 CEEDHN C#CC[C@@H](COC)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000913348311 639255184 /nfs/dbraw/zinc/25/51/84/639255184.db2.gz LBTOVRBGLOHGOY-HNNXBMFYSA-N 0 3 299.374 2.059 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1cccc(C(C)C)c1 ZINC000837672572 639336488 /nfs/dbraw/zinc/33/64/88/639336488.db2.gz GPPXBOJPKHPFIR-UHFFFAOYSA-N 0 3 286.419 2.424 20 30 CEEDHN C=CCNC(=S)N(CCN(C)C)Cc1ccsc1 ZINC000840845778 639560900 /nfs/dbraw/zinc/56/09/00/639560900.db2.gz BCTWDMYYDQRBRX-UHFFFAOYSA-N 0 3 283.466 2.172 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H](N)CC(=C)Cl)C1 ZINC000876962490 650509337 /nfs/dbraw/zinc/50/93/37/650509337.db2.gz QQHCAGWFRSCTSV-NEPJUHHUSA-N 0 3 256.777 2.271 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C1CCC(F)CC1 ZINC000876973245 650513971 /nfs/dbraw/zinc/51/39/71/650513971.db2.gz BZVLPQGCEDPYJK-YYJSSNLHSA-N 0 3 276.783 2.489 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cncc(OCCC)c1 ZINC000877026517 650536543 /nfs/dbraw/zinc/53/65/43/650536543.db2.gz DGJDIFJDVYPVJF-LBPRGKRZSA-N 0 3 283.759 2.279 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)CCC[C@H]12 ZINC000992127423 639968371 /nfs/dbraw/zinc/96/83/71/639968371.db2.gz JDPNQAOCSLGWPA-VNIVASGNSA-N 0 3 286.419 2.169 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CC(C)C)CCC[C@@H]12 ZINC000992242703 640002495 /nfs/dbraw/zinc/00/24/95/640002495.db2.gz SEPIRPKFVBZXQB-YFHUEUNASA-N 0 3 288.435 2.415 20 30 CEEDHN C#CCN(C(=O)NC1CCCCC1)C1CCN(C)CC1 ZINC000913832943 640127165 /nfs/dbraw/zinc/12/71/65/640127165.db2.gz LEORHFHJBJYLQG-UHFFFAOYSA-N 0 3 277.412 2.058 20 30 CEEDHN C#CCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000913858583 640140179 /nfs/dbraw/zinc/14/01/79/640140179.db2.gz SHDUZGHUVJRMQJ-INIZCTEOSA-N 0 3 287.407 2.343 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CCC(=O)C3)nc21 ZINC000842723540 640159234 /nfs/dbraw/zinc/15/92/34/640159234.db2.gz ZGHFMDVQYSOPNB-CMPLNLGQSA-N 0 3 281.315 2.417 20 30 CEEDHN CC(C)(C)OC(=O)C(C)(C)C(=O)C(C#N)c1ccncn1 ZINC000842759709 640172599 /nfs/dbraw/zinc/17/25/99/640172599.db2.gz ZJZJEYLOZNQXIB-SNVBAGLBSA-N 0 3 289.335 2.021 20 30 CEEDHN N#CC(C(=O)NCc1cccc(Cl)c1)C(=O)C1(F)CC1 ZINC000842771337 640176733 /nfs/dbraw/zinc/17/67/33/640176733.db2.gz JPGSFOCYYGVCIY-NSHDSACASA-N 0 3 294.713 2.167 20 30 CEEDHN N#CC(C(=O)C[C@@H]1CSCCS1)c1ccccn1 ZINC000152261177 640192470 /nfs/dbraw/zinc/19/24/70/640192470.db2.gz MUELHXUXZLWEBW-MNOVXSKESA-N 0 3 278.402 2.497 20 30 CEEDHN C[C@H]1C[C@H](NCc2cc(C#N)cnc2Cl)CN1C1CC1 ZINC000877093235 650568896 /nfs/dbraw/zinc/56/88/96/650568896.db2.gz GRYRNCFMZGQBGH-GWCFXTLKSA-N 0 3 290.798 2.321 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2c(C)noc2C)[C@@H]1C ZINC000993021877 640402675 /nfs/dbraw/zinc/40/26/75/640402675.db2.gz KUSCVPGCIOJLSI-JSGCOSHPSA-N 0 3 291.395 2.450 20 30 CEEDHN C#CC[C@@H]1CCCN(Cc2ccc(C(=O)OC)[nH]2)C1 ZINC000843424457 640424235 /nfs/dbraw/zinc/42/42/35/640424235.db2.gz UUKDJBBMIXCMQW-GFCCVEGCSA-N 0 3 260.337 2.037 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2CCOCC2)[C@H]1C ZINC000993125248 640464112 /nfs/dbraw/zinc/46/41/12/640464112.db2.gz PCDJELFAICVXIX-ZBFHGGJFSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000877122052 650582449 /nfs/dbraw/zinc/58/24/49/650582449.db2.gz GLBPFSGOFHJSEM-MJBXVCDLSA-N 0 3 294.782 2.103 20 30 CEEDHN C#Cc1ccccc1CC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000843987770 640570475 /nfs/dbraw/zinc/57/04/75/640570475.db2.gz FZAUTBSVMMJQFP-KRWDZBQOSA-N 0 3 284.403 2.153 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2coc(C)c2)[C@@H]1C ZINC000993299382 640574422 /nfs/dbraw/zinc/57/44/22/640574422.db2.gz ICZSPBQQRWYLBG-ZFWWWQNUSA-N 0 3 274.364 2.194 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc[nH]c2)[C@H]1C ZINC000993362724 640625103 /nfs/dbraw/zinc/62/51/03/640625103.db2.gz NYHMWRRLEVTYIC-OCCSQVGLSA-N 0 3 261.369 2.174 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cnc(C)o2)[C@H]1C ZINC000993413503 640639752 /nfs/dbraw/zinc/63/97/52/640639752.db2.gz MWQFAPJTWSAIHF-IUODEOHRSA-N 0 3 291.395 2.071 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@H]1CCCN(CC)[C@H]1C ZINC000993449655 640647511 /nfs/dbraw/zinc/64/75/11/640647511.db2.gz SFJKLJGGFJTUKM-KBPBESRZSA-N 0 3 275.396 2.277 20 30 CEEDHN C=CCN1CCC[C@H](NC(=O)Cc2occc2C)[C@@H]1C ZINC000993788088 640679026 /nfs/dbraw/zinc/67/90/26/640679026.db2.gz JJMPBNSKTRZISE-KBPBESRZSA-N 0 3 276.380 2.286 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C(C2CC2)C2CC2)[C@@H]1C ZINC000994190392 640698708 /nfs/dbraw/zinc/69/87/08/640698708.db2.gz PNIDLFRGDYLAJE-BBRMVZONSA-N 0 3 288.435 2.415 20 30 CEEDHN CNC(=O)C(C#N)C(=O)CSc1ccc(C(C)C)cc1 ZINC000917001575 640836968 /nfs/dbraw/zinc/83/69/68/640836968.db2.gz AHFONPBWPBIPNY-CYBMUJFWSA-N 0 3 290.388 2.357 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CCC(C2CCCCC2)CC1 ZINC000917059405 640843426 /nfs/dbraw/zinc/84/34/26/640843426.db2.gz GSJVFEHCUFCMNU-AWEZNQCLSA-N 0 3 276.424 2.417 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000917136428 640856211 /nfs/dbraw/zinc/85/62/11/640856211.db2.gz DQINICYWKCLLAB-ZBFHGGJFSA-N 0 3 291.439 2.372 20 30 CEEDHN C=CCN1CCC(NC(=O)NC(C)(C)/C=C\Cl)CC1 ZINC000917137436 640856541 /nfs/dbraw/zinc/85/65/41/640856541.db2.gz PEQGHHFPWVHYAH-FPLPWBNLSA-N 0 3 285.819 2.467 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCS[C@H](C)C2)CC1 ZINC000917142119 640857521 /nfs/dbraw/zinc/85/75/21/640857521.db2.gz QRGWRHSCIPOTCJ-TZMCWYRMSA-N 0 3 297.468 2.220 20 30 CEEDHN C=CCN(Cc1cc(=O)n2cc(C)ccc2n1)C(C)C ZINC000917167178 640860285 /nfs/dbraw/zinc/86/02/85/640860285.db2.gz YTYWDMNTIYDRSW-UHFFFAOYSA-N 0 3 271.364 2.399 20 30 CEEDHN N#CC(C(=O)C[C@@H]1C=CCC1)C(=O)Nc1ccccn1 ZINC000126399348 650613393 /nfs/dbraw/zinc/61/33/93/650613393.db2.gz BMZCPBBJCOBTDB-NEPJUHHUSA-N 0 3 269.304 2.085 20 30 CEEDHN C#CCN(C(=O)N[C@H]1CC[C@H](C)CC1)C1CCN(C)CC1 ZINC000917563544 640897295 /nfs/dbraw/zinc/89/72/95/640897295.db2.gz WNOJPDQLAZITMB-SHTZXODSSA-N 0 3 291.439 2.304 20 30 CEEDHN C=CCNC(=S)N(CCN(C)C)Cc1ccc(C)o1 ZINC000917590550 640905891 /nfs/dbraw/zinc/90/58/91/640905891.db2.gz WIUPJSFKALXNHD-UHFFFAOYSA-N 0 3 281.425 2.012 20 30 CEEDHN C#CCN1CCC(C(=O)NCCC2CCCCC2)CC1 ZINC000918758819 640990612 /nfs/dbraw/zinc/99/06/12/640990612.db2.gz LDFXXUWYJVILKL-UHFFFAOYSA-N 0 3 276.424 2.418 20 30 CEEDHN CCC(C#N)C(=O)NCC(=O)OCc1ccccc1Cl ZINC000845517277 640991642 /nfs/dbraw/zinc/99/16/42/640991642.db2.gz LZDZAHRYILXULV-SNVBAGLBSA-N 0 3 294.738 2.049 20 30 CEEDHN C=C[C@H](C)ONC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000845618353 641021805 /nfs/dbraw/zinc/02/18/05/641021805.db2.gz IBTPJHZGPDHRTP-LBPRGKRZSA-N 0 3 297.424 2.327 20 30 CEEDHN Fc1ccc(N2CCC(=Nn3cnnc3)CC2)c(F)c1 ZINC000920359389 641141824 /nfs/dbraw/zinc/14/18/24/641141824.db2.gz LHTBRYBJICMCKI-UHFFFAOYSA-N 0 3 277.278 2.061 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001015826186 641308908 /nfs/dbraw/zinc/30/89/08/641308908.db2.gz ZXMUSEGBZTZVSH-BPQIPLTHSA-N 0 3 296.414 2.312 20 30 CEEDHN C#CCN(C[C@H]1CN(CC)C(=O)O1)C1CCCCC1 ZINC000846781564 641422082 /nfs/dbraw/zinc/42/20/82/641422082.db2.gz KHACNVWKXUEXML-CQSZACIVSA-N 0 3 264.369 2.095 20 30 CEEDHN Cc1ccnc([C@H]2CCN(CCO[C@H](C)C#N)C2)c1 ZINC000846971284 641504005 /nfs/dbraw/zinc/50/40/05/641504005.db2.gz TUFWIXYVRWITEM-KGLIPLIRSA-N 0 3 259.353 2.108 20 30 CEEDHN C#C[C@@H]1CCCN(CCOc2ccccc2C(=O)OC)C1 ZINC000847021124 641527680 /nfs/dbraw/zinc/52/76/80/641527680.db2.gz JFOBVIXLSJFABQ-CQSZACIVSA-N 0 3 287.359 2.197 20 30 CEEDHN C#C[C@H]1CCCN(Cc2cccc(NC(C)=O)c2)C1 ZINC000847022283 641528597 /nfs/dbraw/zinc/52/85/97/641528597.db2.gz GYSWUAMGQDRGFE-AWEZNQCLSA-N 0 3 256.349 2.490 20 30 CEEDHN C#C[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000847024832 641532159 /nfs/dbraw/zinc/53/21/59/641532159.db2.gz TWEMNGSGPQGCGO-ZDUSSCGKSA-N 0 3 274.320 2.319 20 30 CEEDHN C#C[C@@H]1CCCN(C[C@@H]2CN(C3CCCCC3)C(=O)O2)C1 ZINC000847033678 641540691 /nfs/dbraw/zinc/54/06/91/641540691.db2.gz GFBWRIRCSOJSJU-GDBMZVCRSA-N 0 3 290.407 2.485 20 30 CEEDHN C#C[C@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC000848285302 641951608 /nfs/dbraw/zinc/95/16/08/641951608.db2.gz SDFXJJVVIBSCDC-HNNXBMFYSA-N 0 3 264.413 2.370 20 30 CEEDHN CN(Cc1ccc(Cl)nc1)C(=O)[C@@H](N)CCCCC#N ZINC000848395675 641976663 /nfs/dbraw/zinc/97/66/63/641976663.db2.gz HXLGSMTWEDWBGZ-LBPRGKRZSA-N 0 3 294.786 2.105 20 30 CEEDHN C1CCN2CCCC(=NOC3CCOCC3)[C@H]2C1 ZINC000848409589 641981651 /nfs/dbraw/zinc/98/16/51/641981651.db2.gz ZCUUXVUANYOUEK-CQSZACIVSA-N 0 3 252.358 2.186 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC/C=C\c1ccccc1 ZINC000848431565 641994477 /nfs/dbraw/zinc/99/44/77/641994477.db2.gz YPXWJVAMQWKOMK-XMELGKRDSA-N 0 3 271.364 2.227 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001015955943 642106393 /nfs/dbraw/zinc/10/63/93/642106393.db2.gz SYKXWHCKMIFWQR-QGZVFWFLSA-N 0 3 293.370 2.062 20 30 CEEDHN CC1(C(=O)N2CCC(NCc3ccccc3C#N)CC2)CC1 ZINC000996616956 642120019 /nfs/dbraw/zinc/12/00/19/642120019.db2.gz QRXISGKYJSRYCM-UHFFFAOYSA-N 0 3 297.402 2.439 20 30 CEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cncc(C)c2)CC1 ZINC000996998084 642169889 /nfs/dbraw/zinc/16/98/89/642169889.db2.gz GUVUDUYJMHZXTI-OAHLLOKOSA-N 0 3 299.418 2.244 20 30 CEEDHN C#CCCCCCCN1C[C@H](C)O[C@H](COC)C1 ZINC000877464572 650731815 /nfs/dbraw/zinc/73/18/15/650731815.db2.gz QJSQBGJYOFYUNC-GJZGRUSLSA-N 0 3 253.386 2.306 20 30 CEEDHN N#C[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)C1CCCC1 ZINC000921547926 642227895 /nfs/dbraw/zinc/22/78/95/642227895.db2.gz SNQQPPGWONXZAP-CABCVRRESA-N 0 3 275.396 2.059 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(C)cc(C)n2)CC1 ZINC000997191916 642231665 /nfs/dbraw/zinc/23/16/65/642231665.db2.gz SNLLSJVSPOHYDZ-OAHLLOKOSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000997525020 642288472 /nfs/dbraw/zinc/28/84/72/642288472.db2.gz WGFBJZUZZOYYQS-QMCVQRASSA-N 0 3 288.435 2.273 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc(CC)ccn2)CC1 ZINC000997602958 642311715 /nfs/dbraw/zinc/31/17/15/642311715.db2.gz AKAQFJHRKGYSQH-AWEZNQCLSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)C2CC3(CCC3)C2)CC1 ZINC000997712850 642318573 /nfs/dbraw/zinc/31/85/73/642318573.db2.gz KZDMRFHVGZUMBX-AWEZNQCLSA-N 0 3 288.435 2.417 20 30 CEEDHN CCN1CCCN(C(=O)C(C#N)(CC)CC)[C@@H](C)C1 ZINC000320305861 642320911 /nfs/dbraw/zinc/32/09/11/642320911.db2.gz JKHRGUZXTBCBKK-ZDUSSCGKSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCN1CCC[C@H](N(CC)C(=O)c2cc(C)on2)CC1 ZINC000997911327 642337707 /nfs/dbraw/zinc/33/77/07/642337707.db2.gz CIQWMSBBZDDIOX-AWEZNQCLSA-N 0 3 291.395 2.486 20 30 CEEDHN C=C(C)CN[C@H]1CN(C(=O)C2CC2)CC[C@H]1C(F)(F)F ZINC000998214152 642375666 /nfs/dbraw/zinc/37/56/66/642375666.db2.gz DCFBAWFUBQAIOY-NEPJUHHUSA-N 0 3 290.329 2.342 20 30 CEEDHN C=C(C)C[NH2+][C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000998575550 642420353 /nfs/dbraw/zinc/42/03/53/642420353.db2.gz DMMCNVWQEZMLPH-ZDUSSCGKSA-N 0 3 274.364 2.163 20 30 CEEDHN N#Cc1cccc(CN[C@@H](CCO)Cc2ccccc2)n1 ZINC000877498865 650752506 /nfs/dbraw/zinc/75/25/06/650752506.db2.gz VWCLYYBBKCWJAW-HNNXBMFYSA-N 0 3 281.359 2.037 20 30 CEEDHN C#C[C@H](C)NCc1ccnc2c(C(=O)OC)cccc12 ZINC000877513840 650759543 /nfs/dbraw/zinc/75/95/43/650759543.db2.gz DLLOIIHVGVDPQE-NSHDSACASA-N 0 3 268.316 2.133 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)[C@H]3CC=CCC3)CC2)CC1 ZINC001000074642 642533108 /nfs/dbraw/zinc/53/31/08/642533108.db2.gz GXPVRQOORZPNAQ-HNNXBMFYSA-N 0 3 286.419 2.337 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)c3ccoc3C)CC2)CC1 ZINC001000075210 642533371 /nfs/dbraw/zinc/53/33/71/642533371.db2.gz NJUJMPBPHKGWCF-UHFFFAOYSA-N 0 3 286.375 2.196 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)c3cc(C)co3)CC2)CC1 ZINC001000247435 642571264 /nfs/dbraw/zinc/57/12/64/642571264.db2.gz HORAPKPDUVGRKF-UHFFFAOYSA-N 0 3 286.375 2.196 20 30 CEEDHN Cc1cc(C#N)cc(C)c1CN[C@H]1CC(=O)N(C(C)C)C1 ZINC000921763382 642590666 /nfs/dbraw/zinc/59/06/66/642590666.db2.gz PAZNTPSVGIRERN-HNNXBMFYSA-N 0 3 285.391 2.274 20 30 CEEDHN C#CCCCNCc1csc(-c2ccn(C)n2)n1 ZINC000921794396 642623732 /nfs/dbraw/zinc/62/37/32/642623732.db2.gz UICBYVGABRBYJI-UHFFFAOYSA-N 0 3 260.366 2.047 20 30 CEEDHN C#C[C@@H](NCc1cnc2c(cnn2C)c1)C(C)(C)C ZINC000877534453 650773154 /nfs/dbraw/zinc/77/31/54/650773154.db2.gz JJKJXSRNYIKUOG-CYBMUJFWSA-N 0 3 256.353 2.106 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000921817315 642678776 /nfs/dbraw/zinc/67/87/76/642678776.db2.gz SFQFDZBXNWVAGB-XQQFMLRXSA-N 0 3 253.390 2.123 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2ccc(C)s2)CC1 ZINC001001149253 642695247 /nfs/dbraw/zinc/69/52/47/642695247.db2.gz GYOCHUHUZBYEOS-UHFFFAOYSA-N 0 3 276.405 2.132 20 30 CEEDHN C=C[C@H](CO)NCc1sc2nc(C)nc(C)c2c1C ZINC000850410518 642703850 /nfs/dbraw/zinc/70/38/50/642703850.db2.gz PAAMBMJGPAXSCT-LLVKDONJSA-N 0 3 277.393 2.253 20 30 CEEDHN C#CCN1CCC(CNC(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC001001393550 642715907 /nfs/dbraw/zinc/71/59/07/642715907.db2.gz DFPXTVDDFOJTLW-MRXNPFEDSA-N 0 3 288.435 2.418 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2cccn2CC)CC1 ZINC001001441550 642724398 /nfs/dbraw/zinc/72/43/98/642724398.db2.gz IVCVNRPGGZECTB-UHFFFAOYSA-N 0 3 273.380 2.056 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2ccc(F)s2)CC1 ZINC001001486470 642726542 /nfs/dbraw/zinc/72/65/42/642726542.db2.gz FMPFWGQAQCDJEV-UHFFFAOYSA-N 0 3 280.368 2.435 20 30 CEEDHN C#C[C@@H](NCCCc1cnn(C)c1)c1ccc(F)cc1 ZINC000877544768 650779279 /nfs/dbraw/zinc/77/92/79/650779279.db2.gz WWCNQJRSNFJGIN-MRXNPFEDSA-N 0 3 271.339 2.456 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2c(C)cc(C)nc2C)CC1 ZINC001001666874 642732626 /nfs/dbraw/zinc/73/26/26/642732626.db2.gz RGKJCLFDPVGBPM-UHFFFAOYSA-N 0 3 299.418 2.082 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2ccccc2Cl)CC1 ZINC001002066957 642753352 /nfs/dbraw/zinc/75/33/52/642753352.db2.gz ILOVXEHSPRHIKI-UHFFFAOYSA-N 0 3 290.794 2.415 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2ccc(CC)cc2)CC1 ZINC001002099122 642754750 /nfs/dbraw/zinc/75/47/50/642754750.db2.gz UGULANOLMVLXEH-UHFFFAOYSA-N 0 3 284.403 2.324 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2cnn(CC3CCC3)c2)C1 ZINC000922012747 642842303 /nfs/dbraw/zinc/84/23/03/642842303.db2.gz UVTSOSAMTARIPL-HIFRSBDPSA-N 0 3 258.369 2.465 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2cnn(CC3CCC3)c2)C1 ZINC000922012749 642842652 /nfs/dbraw/zinc/84/26/52/642842652.db2.gz UVTSOSAMTARIPL-UKRRQHHQSA-N 0 3 258.369 2.465 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CO)CCc2ccccc2)o1 ZINC000922549457 643113459 /nfs/dbraw/zinc/11/34/59/643113459.db2.gz UIKVHCJYKJBNSI-CQSZACIVSA-N 0 3 270.332 2.235 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H](C)n2c(C)ccc2C)CC1 ZINC001004205324 643115216 /nfs/dbraw/zinc/11/52/16/643115216.db2.gz BNWOEGJDLNZOCC-HNNXBMFYSA-N 0 3 289.423 2.433 20 30 CEEDHN C#CCOCCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000851775096 643155211 /nfs/dbraw/zinc/15/52/11/643155211.db2.gz PTANIZYQOZSUOX-UHFFFAOYSA-N 0 3 277.339 2.319 20 30 CEEDHN C#CCOCCN(C)[C@H]1CCCc2nc(C)sc21 ZINC000851842813 643186786 /nfs/dbraw/zinc/18/67/86/643186786.db2.gz QPRXWBANKZQMMQ-ZDUSSCGKSA-N 0 3 264.394 2.411 20 30 CEEDHN C#C[C@H](NC[C@H](OC)C1CCCCC1)[C@H]1CCCO1 ZINC000851949332 643239108 /nfs/dbraw/zinc/23/91/08/643239108.db2.gz CQWLQGAQRDAKJM-XHSDSOJGSA-N 0 3 265.397 2.352 20 30 CEEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000852098948 643301757 /nfs/dbraw/zinc/30/17/57/643301757.db2.gz ZTQGULFSZBNFJU-HLPPOEQASA-N 0 3 264.413 2.271 20 30 CEEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1cccs1 ZINC000852098889 643301993 /nfs/dbraw/zinc/30/19/93/643301993.db2.gz YMJHWPGUSCYSQO-SMDDNHRTSA-N 0 3 264.394 2.144 20 30 CEEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccccc1C ZINC000852100308 643304715 /nfs/dbraw/zinc/30/47/15/643304715.db2.gz VWNHWKQLUHDKFB-MAUKXSAKSA-N 0 3 286.419 2.434 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)NCc1ccc(Cl)cc1 ZINC000852102484 643307185 /nfs/dbraw/zinc/30/71/85/643307185.db2.gz YFWQCELQRHKUGI-OAHLLOKOSA-N 0 3 278.783 2.348 20 30 CEEDHN C#C[C@@](C)(CC)NCc1cc2ccccc2n(C)c1=O ZINC000852103231 643307498 /nfs/dbraw/zinc/30/74/98/643307498.db2.gz AXVZBOPKCJZFMN-KRWDZBQOSA-N 0 3 268.360 2.430 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CC2(C)C)CC1 ZINC001005248630 643396538 /nfs/dbraw/zinc/39/65/38/643396538.db2.gz OAJYIEQEYSGFGP-CYBMUJFWSA-N 0 3 250.386 2.141 20 30 CEEDHN C#C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(C)(C)C ZINC000852340964 643398889 /nfs/dbraw/zinc/39/88/89/643398889.db2.gz APCLECSNMVZRAD-CHWSQXEVSA-N 0 3 279.428 2.206 20 30 CEEDHN C=CCN(C[C@H](O)c1cccc(F)c1)[C@H](C)COC ZINC000852357878 643406576 /nfs/dbraw/zinc/40/65/76/643406576.db2.gz JOZNJQPJGGCTMF-DOMZBBRYSA-N 0 3 267.344 2.382 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001005487790 643410246 /nfs/dbraw/zinc/41/02/46/643410246.db2.gz FKKFBCVIDUJRKD-JKSUJKDBSA-N 0 3 294.439 2.156 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCC2(F)F)CC1 ZINC001005563639 643419485 /nfs/dbraw/zinc/41/94/85/643419485.db2.gz FPTSGVYDMUMMJA-GFCCVEGCSA-N 0 3 272.339 2.141 20 30 CEEDHN C=C[C@H](CO)NC[C@H](O)c1cccc2ccccc21 ZINC000852714711 643521904 /nfs/dbraw/zinc/52/19/04/643521904.db2.gz ZZZLCUXDTFOBHG-CJNGLKHVSA-N 0 3 257.333 2.010 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CC[C@@H](F)C2)CC1 ZINC001005890261 643532816 /nfs/dbraw/zinc/53/28/16/643532816.db2.gz GIJZSEVFLOQIDV-CHWSQXEVSA-N 0 3 268.376 2.233 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCc3cccnc32)CC1 ZINC001005894657 643540718 /nfs/dbraw/zinc/54/07/18/643540718.db2.gz YUIDRLTWUMXTQN-INIZCTEOSA-N 0 3 299.418 2.220 20 30 CEEDHN C=CCCCCCNC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000923116742 643565149 /nfs/dbraw/zinc/56/51/49/643565149.db2.gz IFQAKLCAYZKQSC-STQMWFEESA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)C[C@H]2C[C@@H]2C)CC1 ZINC001005929288 643565547 /nfs/dbraw/zinc/56/55/47/643565547.db2.gz JACRFCWKIONYMF-QWHCGFSZSA-N 0 3 250.386 2.141 20 30 CEEDHN C#CCCCOc1cccnc1N1CCCN(CC)CC1 ZINC000853301093 643733702 /nfs/dbraw/zinc/73/37/02/643733702.db2.gz PPMXGPUNXCBCRU-UHFFFAOYSA-N 0 3 287.407 2.406 20 30 CEEDHN C=CCONC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000838702994 643995060 /nfs/dbraw/zinc/99/50/60/643995060.db2.gz GWPSJGMGFWGZNY-UHFFFAOYSA-N 0 3 295.358 2.017 20 30 CEEDHN C#CCC(C)(C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000855164139 644263688 /nfs/dbraw/zinc/26/36/88/644263688.db2.gz IFSBWLKCZCFMFA-GFCCVEGCSA-N 0 3 250.386 2.025 20 30 CEEDHN C#CC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000753905833 644292516 /nfs/dbraw/zinc/29/25/16/644292516.db2.gz NCECJTNSXMVIET-ZDUSSCGKSA-N 0 3 276.405 2.271 20 30 CEEDHN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1scnc1C ZINC000753937205 644297001 /nfs/dbraw/zinc/29/70/01/644297001.db2.gz WVOXZSMLTOZJAE-QWRGUYRKSA-N 0 3 277.397 2.036 20 30 CEEDHN C#CC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000753960273 644304286 /nfs/dbraw/zinc/30/42/86/644304286.db2.gz DIDNJHGAGPPEAB-INIZCTEOSA-N 0 3 270.376 2.209 20 30 CEEDHN C#CCNC(=O)CN[C@H](C)c1cc2ccccc2s1 ZINC000754751220 644425005 /nfs/dbraw/zinc/42/50/05/644425005.db2.gz ZTEHTNKEZPFADD-LLVKDONJSA-N 0 3 272.373 2.301 20 30 CEEDHN CC(C)(O)[C@@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000877834980 650927354 /nfs/dbraw/zinc/92/73/54/650927354.db2.gz CNLDICXWXVLLHP-LLVKDONJSA-N 0 3 250.367 2.213 20 30 CEEDHN C#CC[C@@H](NC(=O)N[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000757032993 644721607 /nfs/dbraw/zinc/72/16/07/644721607.db2.gz KQUPUBLWYJYVLJ-HZPDHXFCSA-N 0 3 285.391 2.144 20 30 CEEDHN CC(=O)[C@](C#N)(CCN1CCCN(C)CC1)c1ccccc1 ZINC000877934822 650952014 /nfs/dbraw/zinc/95/20/14/650952014.db2.gz FNBNOZWYOGQGTJ-GOSISDBHSA-N 0 3 299.418 2.065 20 30 CEEDHN CC(=NNC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000757592534 644823170 /nfs/dbraw/zinc/82/31/70/644823170.db2.gz LLLHXTRCNVUPDP-UHFFFAOYSA-N 0 3 261.369 2.245 20 30 CEEDHN C[C@@H](C#N)CNC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000757905134 644855109 /nfs/dbraw/zinc/85/51/09/644855109.db2.gz DLTFLPSZSMGKAB-AWEZNQCLSA-N 0 3 286.423 2.471 20 30 CEEDHN C#CC[C@@H](COC)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000858335783 645124244 /nfs/dbraw/zinc/12/42/44/645124244.db2.gz GWBWEVGYDMHHRD-MRZGDXHCSA-N 0 3 274.320 2.236 20 30 CEEDHN C[C@@H]1CCC[C@H](OCC(=O)C(C#N)c2ccncn2)C1 ZINC000760341005 645142007 /nfs/dbraw/zinc/14/20/07/645142007.db2.gz QEAXQOLMKIGQTB-FRRDWIJNSA-N 0 3 273.336 2.248 20 30 CEEDHN C=CC[C@H](C)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000878055018 650986067 /nfs/dbraw/zinc/98/60/67/650986067.db2.gz LREWTPXTOFYBSK-LSDHHAIUSA-N 0 3 293.455 2.016 20 30 CEEDHN C[C@@H](NC[C@H]1CC2(CC2)C(=O)O1)c1cccc(C#N)c1 ZINC000763727550 645571326 /nfs/dbraw/zinc/57/13/26/645571326.db2.gz CGBNGIIZUIZBJS-BXUZGUMPSA-N 0 3 270.332 2.305 20 30 CEEDHN C#CCCCCCN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000878256804 651046926 /nfs/dbraw/zinc/04/69/26/651046926.db2.gz CQKYFXRAGGNUKO-CABCVRRESA-N 0 3 285.453 2.468 20 30 CEEDHN COC1CC(C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000860483433 645802814 /nfs/dbraw/zinc/80/28/14/645802814.db2.gz RGHRHQSDKWVFQR-ILDUYXDCSA-N 0 3 270.288 2.429 20 30 CEEDHN Cc1cc(CNC[C@H](O)c2ccco2)ccc1C#N ZINC000767679564 646026784 /nfs/dbraw/zinc/02/67/84/646026784.db2.gz CXKAWHHRBPRFFX-AWEZNQCLSA-N 0 3 256.305 2.283 20 30 CEEDHN CCCCCCCNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000861655672 646240149 /nfs/dbraw/zinc/24/01/49/646240149.db2.gz YVDKLHRXSYGEIG-CHWSQXEVSA-N 0 3 255.406 2.349 20 30 CEEDHN C[C@H](C#N)Oc1ccc(CN(C)[C@H]2CCOC2)cc1 ZINC000769328547 646246376 /nfs/dbraw/zinc/24/63/76/646246376.db2.gz JOWLTKVCRPUDQK-OCCSQVGLSA-N 0 3 260.337 2.198 20 30 CEEDHN CCN(C(=O)c1ccc(C)c(C#N)c1)C1CCN(C)CC1 ZINC000861891331 646292319 /nfs/dbraw/zinc/29/23/19/646292319.db2.gz YNMPPEUGUUPQGB-UHFFFAOYSA-N 0 3 285.391 2.423 20 30 CEEDHN C#C[C@@H](C)N(C)CCOc1ccc(C(=O)OC)cc1Cl ZINC000769977322 646341828 /nfs/dbraw/zinc/34/18/28/646341828.db2.gz GJWIODOXTIGMKI-LLVKDONJSA-N 0 3 295.766 2.459 20 30 CEEDHN N#CC(C(=O)CCC(=O)c1ccccn1)c1ccccn1 ZINC000770839816 646443985 /nfs/dbraw/zinc/44/39/85/646443985.db2.gz QHJRCHZAXOROHU-GFCCVEGCSA-N 0 3 279.299 2.316 20 30 CEEDHN C#CC[C@@H]1CCN(Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000862443185 646462299 /nfs/dbraw/zinc/46/22/99/646462299.db2.gz LKJSTEZYPCRWTC-GFCCVEGCSA-N 0 3 273.332 2.269 20 30 CEEDHN C#CC[C@@H](CCOC)NCc1cc(C(=O)OC)c(CC)o1 ZINC000862548457 646494515 /nfs/dbraw/zinc/49/45/15/646494515.db2.gz GLBKNZJVCVMSRJ-LBPRGKRZSA-N 0 3 293.363 2.147 20 30 CEEDHN C#CC[C@H](CCOC)NCc1cnc2ccccc2n1 ZINC000862549100 646495512 /nfs/dbraw/zinc/49/55/12/646495512.db2.gz VFSDXUAKNHYHCT-CYBMUJFWSA-N 0 3 269.348 2.148 20 30 CEEDHN CCC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(N)cc1 ZINC000863103657 646635625 /nfs/dbraw/zinc/63/56/25/646635625.db2.gz GSQFHAURHVDBJU-GASCZTMLSA-N 0 3 285.395 2.243 20 30 CEEDHN CN(C)c1ccc(/C=C\C=NNCC(C)(C)O)cc1 ZINC000863136424 646651003 /nfs/dbraw/zinc/65/10/03/646651003.db2.gz FFJBXNLVDBFLPM-HSTLZJKPSA-N 0 3 261.369 2.112 20 30 CEEDHN CCc1nn(C)c(Cl)c1C=NNc1ccnc(C)c1 ZINC000863158438 646656599 /nfs/dbraw/zinc/65/65/99/646656599.db2.gz BKXMEAWUNSRRNK-UHFFFAOYSA-N 0 3 277.759 2.207 20 30 CEEDHN Cc1cccc(F)c1CNC[C@@H](O)CC1(C#N)CC1 ZINC000863553087 646754726 /nfs/dbraw/zinc/75/47/26/646754726.db2.gz ULOPWEICZCJNOV-LBPRGKRZSA-N 0 3 262.328 2.279 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)C1CCC(=O)CC1 ZINC000773975555 646791695 /nfs/dbraw/zinc/79/16/95/646791695.db2.gz VZDOKJUKKOOMCX-AWEZNQCLSA-N 0 3 292.379 2.151 20 30 CEEDHN N#Cc1cc([O-])ccc1-c1cnn(C2CC[NH2+]CC2)c1 ZINC000863723066 646797969 /nfs/dbraw/zinc/79/79/69/646797969.db2.gz SKXDTEYPCLQAMQ-UHFFFAOYSA-N 0 3 268.320 2.052 20 30 CEEDHN C[C@]1(NC(=O)CC2(C#N)CCCCC2)CN2CCC1CC2 ZINC000864084520 646891432 /nfs/dbraw/zinc/89/14/32/646891432.db2.gz KUVLXVIZIIAINZ-INIZCTEOSA-N 0 3 289.423 2.451 20 30 CEEDHN CCN1[C@H](C)CN(c2cc(C#N)cc(C)n2)C[C@@H]1C ZINC000864092236 646898668 /nfs/dbraw/zinc/89/86/68/646898668.db2.gz NUZPAOOAFUBDQM-BETUJISGSA-N 0 3 258.369 2.181 20 30 CEEDHN C#C[C@@H](NCCOc1cc(C)ccc1C)[C@@H]1CCCO1 ZINC000775799587 646994686 /nfs/dbraw/zinc/99/46/86/646994686.db2.gz LDLTULTWZAAHEB-CVEARBPZSA-N 0 3 273.376 2.453 20 30 CEEDHN C#C[C@H](NCCc1ccc(F)c(F)c1)[C@@H]1CCCO1 ZINC000775806515 646995480 /nfs/dbraw/zinc/99/54/80/646995480.db2.gz MEIFPNIGDDMRGW-GJZGRUSLSA-N 0 3 265.303 2.278 20 30 CEEDHN C[C@H](C1CC1)N1CCN(c2ccccc2C#N)CC1 ZINC000777630829 647159889 /nfs/dbraw/zinc/15/98/89/647159889.db2.gz WFFNENQHUDCIII-CYBMUJFWSA-N 0 3 255.365 2.479 20 30 CEEDHN CN(C)CCN(C(=O)c1coc(C#N)c1)c1ccccc1 ZINC000865050898 647165913 /nfs/dbraw/zinc/16/59/13/647165913.db2.gz VTKKFPDBLUQHQO-UHFFFAOYSA-N 0 3 283.331 2.360 20 30 CEEDHN COC[C@H](C)NN=C1CCCC[C@H]1N1CCCCC1 ZINC000777890436 647186986 /nfs/dbraw/zinc/18/69/86/647186986.db2.gz CAARXMCZOMIILS-DZGCQCFKSA-N 0 3 267.417 2.395 20 30 CEEDHN CC(C)OCCNN=Cc1ccc2c(c1)CCN2C ZINC000778547610 647241899 /nfs/dbraw/zinc/24/18/99/647241899.db2.gz YWAQLMBTVILEFQ-UHFFFAOYSA-N 0 3 261.369 2.027 20 30 CEEDHN CC(C)(C)OC(=O)N1CC(CN2CCC(C#N)CC2)C1 ZINC000779478085 647326973 /nfs/dbraw/zinc/32/69/73/647326973.db2.gz QIEGGYNIMXOYIH-UHFFFAOYSA-N 0 3 279.384 2.089 20 30 CEEDHN C=CCCn1cc(CNCC[C@H]2CCSC2)nn1 ZINC000865650534 647406218 /nfs/dbraw/zinc/40/62/18/647406218.db2.gz FYKFQIOJZILPQJ-LBPRGKRZSA-N 0 3 266.414 2.087 20 30 CEEDHN N#CC(C(=O)CCCc1ccsc1)C(=O)N1CCCC1 ZINC000783350847 647709277 /nfs/dbraw/zinc/70/92/77/647709277.db2.gz QTLOLOJIJIEXPQ-CYBMUJFWSA-N 0 3 290.388 2.402 20 30 CEEDHN N#Cc1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc1 ZINC000866342307 647745626 /nfs/dbraw/zinc/74/56/26/647745626.db2.gz CCWVOAMPSUUYMX-KKUMJFAQSA-N 0 3 269.348 2.000 20 30 CEEDHN C#CCCCN(CCOC)Cc1scnc1C ZINC000785993163 647975711 /nfs/dbraw/zinc/97/57/11/647975711.db2.gz RSZFXCIRJQYYQX-UHFFFAOYSA-N 0 3 252.383 2.313 20 30 CEEDHN CS[C@H](C)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786550364 648027135 /nfs/dbraw/zinc/02/71/35/648027135.db2.gz OUXIVBKRKXJIIR-YPMHNXCESA-N 0 3 290.388 2.072 20 30 CEEDHN C#CCCOC(=O)CCN1CCc2ccccc2C1 ZINC000786825092 648048472 /nfs/dbraw/zinc/04/84/72/648048472.db2.gz KKNNLKKVBICPIJ-UHFFFAOYSA-N 0 3 257.333 2.001 20 30 CEEDHN CC(C)[C@@H](F)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787074152 648070971 /nfs/dbraw/zinc/07/09/71/648070971.db2.gz XKVKDRUOTFKMOG-ZIAGYGMSSA-N 0 3 290.338 2.348 20 30 CEEDHN C#CCOc1ccccc1CN1CC[C@@H](C(=O)OC)[C@H]1C ZINC000787422012 648107762 /nfs/dbraw/zinc/10/77/62/648107762.db2.gz XJTCLBFPJNKJIO-UKRRQHHQSA-N 0 3 287.359 2.082 20 30 CEEDHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1CC(=O)NCCC#N ZINC000805839259 648111440 /nfs/dbraw/zinc/11/14/40/648111440.db2.gz PAGZWATYZSDZQH-OLZOCXBDSA-N 0 3 265.401 2.163 20 30 CEEDHN C#C[C@@H](C)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805887348 648291487 /nfs/dbraw/zinc/29/14/87/648291487.db2.gz YWACHLYXOCZSMK-CQSZACIVSA-N 0 3 271.360 2.464 20 30 CEEDHN C[C@@H](OC(=O)C1CCN(C2CC2)CC1)C(C)(C)C#N ZINC000805901449 648332433 /nfs/dbraw/zinc/33/24/33/648332433.db2.gz LKEUOWGYWGHNCV-LLVKDONJSA-N 0 3 264.369 2.342 20 30 CEEDHN C#C[C@H](CCC)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000791067835 648479684 /nfs/dbraw/zinc/47/96/84/648479684.db2.gz XVMPYKWBEHUCCV-IAGOWNOFSA-N 0 3 299.418 2.362 20 30 CEEDHN COC1(CC(=O)C(C#N)C(=O)Nc2ccccc2)CCC1 ZINC000791771030 648564714 /nfs/dbraw/zinc/56/47/14/648564714.db2.gz IANWBDRTGTTZMI-ZDUSSCGKSA-N 0 3 286.331 2.293 20 30 CEEDHN CCCCCCCCCN1CC[C@@H](S(=O)(=O)NC)C1 ZINC000792253346 648631519 /nfs/dbraw/zinc/63/15/19/648631519.db2.gz HZGXXWTUQLMHIY-CQSZACIVSA-N 0 3 290.473 2.361 20 30 CEEDHN CN1CCN(C(=O)c2cccc(F)c2C#N)CCC1(C)C ZINC000871156050 649016681 /nfs/dbraw/zinc/01/66/81/649016681.db2.gz LZXSYDLFWSLWQM-UHFFFAOYSA-N 0 3 289.354 2.254 20 30 CEEDHN CN1CCN(C(=O)c2ccc(F)c(C#N)c2)CCC1(C)C ZINC000871156996 649017877 /nfs/dbraw/zinc/01/78/77/649017877.db2.gz QZUWIFFOJCHDBB-UHFFFAOYSA-N 0 3 289.354 2.254 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC2(CCNC2=O)CC1 ZINC000872096210 649271859 /nfs/dbraw/zinc/27/18/59/649271859.db2.gz YUVCCODLBBJTBV-CYBMUJFWSA-N 0 3 283.375 2.221 20 30 CEEDHN CN1CCC[C@@H]2[C@@H]1CCN2c1ccc(C#N)cc1[N+](=O)[O-] ZINC000872778467 649485897 /nfs/dbraw/zinc/48/58/97/649485897.db2.gz AMJHIXCVGLCZDS-QWHCGFSZSA-N 0 3 286.335 2.139 20 30 CEEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1C[C@H](O)C1 ZINC000873177932 649579831 /nfs/dbraw/zinc/57/98/31/649579831.db2.gz DDZUYYNWTNGEKA-HAQNSBGRSA-N 0 3 279.767 2.213 20 30 CEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@]1(C#N)CC12CCCC2 ZINC000874827746 649843708 /nfs/dbraw/zinc/84/37/08/649843708.db2.gz UBRMEIYHZYVMPU-CKEIUWERSA-N 0 3 287.407 2.156 20 30 CEEDHN C#CCCCCCN1CCN(c2ccnc(C)n2)CC1 ZINC000878430549 651095189 /nfs/dbraw/zinc/09/51/89/651095189.db2.gz JZFLFCYIWHLXKH-UHFFFAOYSA-N 0 3 272.396 2.101 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC([C@H](F)C(N)=O)CC1 ZINC000879045184 651234484 /nfs/dbraw/zinc/23/44/84/651234484.db2.gz WNTGNTVNVBWUQP-NHYWBVRUSA-N 0 3 289.354 2.155 20 30 CEEDHN C#CCCCN1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879501778 651312907 /nfs/dbraw/zinc/31/29/07/651312907.db2.gz OYMRPCOUONZDHC-OAHLLOKOSA-N 0 3 255.365 2.279 20 30 CEEDHN CO[C@H]1C[C@@H](CN2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000879587312 651328026 /nfs/dbraw/zinc/32/80/26/651328026.db2.gz QDLHAHPYSJRWKX-WOVMCDHWSA-N 0 3 285.391 2.105 20 30 CEEDHN C#CCC1(O)CCN(CCC(=O)c2ccccc2)CC1 ZINC000880481205 651448250 /nfs/dbraw/zinc/44/82/50/651448250.db2.gz OGFQSLMSUHPDLX-UHFFFAOYSA-N 0 3 271.360 2.110 20 30 CEEDHN C#CCC1(O)CCN(Cc2c(C)cc(C)nc2C)CC1 ZINC000880482494 651448325 /nfs/dbraw/zinc/44/83/25/651448325.db2.gz KROIFKLDUSHIHH-UHFFFAOYSA-N 0 3 272.392 2.357 20 30 CEEDHN C=CCOCCN[C@@H](Cn1ccnc1)c1ccccc1 ZINC000880569657 651462112 /nfs/dbraw/zinc/46/21/12/651462112.db2.gz NRIAHYPULONUMX-INIZCTEOSA-N 0 3 271.364 2.417 20 30 CEEDHN COc1ccc(CN(CCO)CCC(C)(C)C#N)cc1 ZINC000880570814 651462236 /nfs/dbraw/zinc/46/22/36/651462236.db2.gz GDKHDTOZZNGVIR-UHFFFAOYSA-N 0 3 276.380 2.429 20 30 CEEDHN N#CCc1cccc(NC(=O)[C@H]2CCCN2C2CCCC2)n1 ZINC000882473379 652089110 /nfs/dbraw/zinc/08/91/10/652089110.db2.gz KYRAAPQSYBEQRS-OAHLLOKOSA-N 0 3 298.390 2.493 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccccc1OC1CCCC1 ZINC000883124028 652369731 /nfs/dbraw/zinc/36/97/31/652369731.db2.gz SVPZGIBUORTFKL-HNNXBMFYSA-N 0 3 273.376 2.482 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CC(=O)N(CC3CC3)C1)CC2 ZINC000883395709 652455078 /nfs/dbraw/zinc/45/50/78/652455078.db2.gz AQNPQITYTDRSOD-DOTOQJQBSA-N 0 3 295.386 2.146 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1nn(CC)c2ccccc12 ZINC000883400425 652456632 /nfs/dbraw/zinc/45/66/32/652456632.db2.gz MEJQHUHZFBLTDS-CYBMUJFWSA-N 0 3 273.380 2.473 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1nc2ccccc2n1CC ZINC000883401304 652457155 /nfs/dbraw/zinc/45/71/55/652457155.db2.gz JOGLTHGJTZHORO-CYBMUJFWSA-N 0 3 273.380 2.473 20 30 CEEDHN CCN(C(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccccc1C ZINC000884047963 652659110 /nfs/dbraw/zinc/65/91/10/652659110.db2.gz SHTGOZPGQWVUMO-SWKXRBFHSA-N 0 3 297.402 2.487 20 30 CEEDHN Cc1c(F)cccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884071547 652695882 /nfs/dbraw/zinc/69/58/82/652695882.db2.gz XXKBNLBKUWFSLH-BWBHSNQOSA-N 0 3 287.338 2.212 20 30 CEEDHN CC(C)CN(C(=O)C1CC2(C1)CNC[C@@H]2C#N)C(C)C ZINC000884089871 652703668 /nfs/dbraw/zinc/70/36/68/652703668.db2.gz CGMSKELNVMFYJD-BBBYJDLNSA-N 0 3 277.412 2.019 20 30 CEEDHN Cc1cc(C)cc(N(C)C(=O)C2CC3(C2)CNC[C@@H]3C#N)c1 ZINC000884099083 652707415 /nfs/dbraw/zinc/70/74/15/652707415.db2.gz DQZZDRPSTXHZLL-CSLYMUCUSA-N 0 3 297.402 2.406 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)[C@@H](N)CC1CC1 ZINC000884100361 652708295 /nfs/dbraw/zinc/70/82/95/652708295.db2.gz RVRPTRHEYKCZIG-HNNXBMFYSA-N 0 3 276.355 2.468 20 30 CEEDHN CC(C)(C)[C@H]1CCCN1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884122753 652716179 /nfs/dbraw/zinc/71/61/79/652716179.db2.gz YMFLSRRHANFSNZ-YRTQGLMCSA-N 0 3 289.423 2.163 20 30 CEEDHN CC(C)[C@@H]1CCCCN1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884140373 652724924 /nfs/dbraw/zinc/72/49/24/652724924.db2.gz RNSFPDAAADIGNE-DGNOSDGRSA-N 0 3 289.423 2.163 20 30 CEEDHN Cc1cnc(N2CCN(C3CCCC3)CC2)c(C#N)c1 ZINC001165029888 721853594 /nfs/dbraw/zinc/85/35/94/721853594.db2.gz PJYZSEQEXVOLCN-UHFFFAOYSA-N 0 3 270.380 2.326 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cncc(F)c2)[C@H]1CC ZINC001087536236 805703596 /nfs/dbraw/zinc/70/35/96/805703596.db2.gz AKTOTWQWNKWPQK-LSDHHAIUSA-N 0 3 291.370 2.380 20 30 CEEDHN C#CCCCC(=O)NC[C@@H]1CN(CCC)CCC1(F)F ZINC001271092838 805739418 /nfs/dbraw/zinc/73/94/18/805739418.db2.gz KMQAUBQNMIAZFL-CYBMUJFWSA-N 0 3 286.366 2.273 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccccc2OC)[C@H]1CC ZINC001087805269 805799334 /nfs/dbraw/zinc/79/93/34/805799334.db2.gz XQOIISJBPVQDJX-LSDHHAIUSA-N 0 3 288.391 2.464 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)CCC3CCC3)C[C@@H]2C1 ZINC001087925246 805855375 /nfs/dbraw/zinc/85/53/75/805855375.db2.gz CONFHEFOSCCGPK-SJORKVTESA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C[C@H]3C=CCC3)C2)C1 ZINC001040059879 805883243 /nfs/dbraw/zinc/88/32/43/805883243.db2.gz OUHCDIDUALDQIL-WMZOPIPTSA-N 0 3 286.419 2.290 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)c1csnc1C ZINC001271997677 806185479 /nfs/dbraw/zinc/18/54/79/806185479.db2.gz 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275.396 2.197 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001015630765 810319781 /nfs/dbraw/zinc/31/97/81/810319781.db2.gz FVZHYLZYHGNJRI-GFCCVEGCSA-N 0 3 294.757 2.307 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001015634471 810320192 /nfs/dbraw/zinc/32/01/92/810320192.db2.gz PFWUUJQARLIMCU-HOCLYGCPSA-N 0 3 270.376 2.093 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2ccncc2Cl)C1 ZINC001015713584 810338095 /nfs/dbraw/zinc/33/80/95/810338095.db2.gz RMLGDSYXTKEWFD-CYBMUJFWSA-N 0 3 293.798 2.044 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)NC[C@@H](F)C(C)(C)O ZINC001172304295 815362959 /nfs/dbraw/zinc/36/29/59/815362959.db2.gz JDEOQPDUBWSVSE-SMDDNHRTSA-N 0 3 264.344 2.188 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2cc(CCC)on2)C1 ZINC001015924502 810372501 /nfs/dbraw/zinc/37/25/01/810372501.db2.gz MAUXLAFJHOXBOD-LBPRGKRZSA-N 0 3 277.368 2.007 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2oc(CCC)nc2C)C1 ZINC001015995753 810385460 /nfs/dbraw/zinc/38/54/60/810385460.db2.gz ZIHFZUPUIMRNPL-ZDUSSCGKSA-N 0 3 291.395 2.316 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC001121923693 815367485 /nfs/dbraw/zinc/36/74/85/815367485.db2.gz RAXWOIWICZTGHM-NSHDSACASA-N 0 3 290.342 2.002 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)Cc1cccs1 ZINC001121919191 815367537 /nfs/dbraw/zinc/36/75/37/815367537.db2.gz TYIMWBNVFYBMCN-WCQYABFASA-N 0 3 266.410 2.479 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001016190264 810410524 /nfs/dbraw/zinc/41/05/24/810410524.db2.gz JLXAKZNECINKFK-QGZVFWFLSA-N 0 3 284.403 2.060 20 30 CEEDHN C=CCCN1C[C@H]2OCCN(C(=O)CC3CCCC3)[C@H]2C1 ZINC001082985137 810418317 /nfs/dbraw/zinc/41/83/17/810418317.db2.gz NKRRBYUQHPOFFN-JKSUJKDBSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCCN1C[C@H]2OCCN(C(=O)CCC3CCC3)[C@H]2C1 ZINC001083040664 810422076 /nfs/dbraw/zinc/42/20/76/810422076.db2.gz XMQDRALGFZGGCA-JKSUJKDBSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N(C)CCC(F)(F)F ZINC001121937306 815369073 /nfs/dbraw/zinc/36/90/73/815369073.db2.gz FAQHQLQNKDVJQU-VIFPVBQESA-N 0 3 252.280 2.081 20 30 CEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2cnc(CC)s2)C1 ZINC001016388436 810433734 /nfs/dbraw/zinc/43/37/34/810433734.db2.gz OMDFOIVLJLGBRU-GFCCVEGCSA-N 0 3 293.436 2.476 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc(C)oc2C)CC1 ZINC001016503557 810446360 /nfs/dbraw/zinc/44/63/60/810446360.db2.gz RCTLARMEQFRXLD-HNNXBMFYSA-N 0 3 286.375 2.114 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC001016566606 810453353 /nfs/dbraw/zinc/45/33/53/810453353.db2.gz UREUXOVRRXXMQL-XUWVNRHRSA-N 0 3 286.419 2.027 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001016630734 810458900 /nfs/dbraw/zinc/45/89/00/810458900.db2.gz IQKGZXMNIDDOBD-YYIAUSFCSA-N 0 3 298.430 2.193 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2CCC2(F)F)CC1 ZINC001016682311 810461659 /nfs/dbraw/zinc/46/16/59/810461659.db2.gz OVDQCAKCSZKLBS-QWHCGFSZSA-N 0 3 296.361 2.026 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001016869699 810474289 /nfs/dbraw/zinc/47/42/89/810474289.db2.gz KXPRZYYUQKTDRC-ARFHVFGLSA-N 0 3 286.419 2.027 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN([C@H](C)COC)C[C@H]21 ZINC001084574098 810479661 /nfs/dbraw/zinc/47/96/61/810479661.db2.gz QHOPMWMVMCBLSW-RBSFLKMASA-N 0 3 294.439 2.156 20 30 CEEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3conc3C)[C@@H]2C1 ZINC001084627044 810488760 /nfs/dbraw/zinc/48/87/60/810488760.db2.gz JEYOZFBOTBBOCY-UKRRQHHQSA-N 0 3 289.379 2.096 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC ZINC001017297362 810507845 /nfs/dbraw/zinc/50/78/45/810507845.db2.gz XVPCMFKZEYQFFX-OKILXGFUSA-N 0 3 250.386 2.428 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCOC1 ZINC001017431422 810520688 /nfs/dbraw/zinc/52/06/88/810520688.db2.gz DBTQAUIATDZBKN-HRCADAONSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCCO1 ZINC001017468076 810524208 /nfs/dbraw/zinc/52/42/08/810524208.db2.gz YDCHOZXCZXPBDO-OWCLPIDISA-N 0 3 292.423 2.197 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@H]1C ZINC001017513240 810529908 /nfs/dbraw/zinc/52/99/08/810529908.db2.gz ZLDRHGJOHADBMK-CAOSSQGBSA-N 0 3 292.423 2.053 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCOC ZINC001098932800 810555719 /nfs/dbraw/zinc/55/57/19/810555719.db2.gz MQGKWJJSCXOGAU-AWEZNQCLSA-N 0 3 282.428 2.206 20 30 CEEDHN Cc1cc(CN)nn1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172289509 815382490 /nfs/dbraw/zinc/38/24/90/815382490.db2.gz DLLFNFKEFGNXOX-LLVKDONJSA-N 0 3 254.337 2.326 20 30 CEEDHN CCO/C=C/[C@](O)(CN[C@@H]1CC[C@H](C#N)C1)C(F)(F)F ZINC000823316145 810610301 /nfs/dbraw/zinc/61/03/01/810610301.db2.gz IXVOFCABKCOAQY-ULUCOWRSSA-N 0 3 292.301 2.112 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1=CCOCC1 ZINC001085179566 810627532 /nfs/dbraw/zinc/62/75/32/810627532.db2.gz LASYAUUCZUFAMJ-ZIAGYGMSSA-N 0 3 298.814 2.103 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1nccn1C ZINC001172293768 815384761 /nfs/dbraw/zinc/38/47/61/815384761.db2.gz XTBQPTNFHXSCQL-GFCCVEGCSA-N 0 3 254.337 2.013 20 30 CEEDHN CCOc1cc(CN[C@@H](C)Cc2ccc(C#N)cc2)ncn1 ZINC001172299568 815387899 /nfs/dbraw/zinc/38/78/99/815387899.db2.gz LZJIONOOIJALDS-ZDUSSCGKSA-N 0 3 296.374 2.468 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)Cc2ccc(CCCC)cc2)C1 ZINC001019102264 810677461 /nfs/dbraw/zinc/67/74/61/810677461.db2.gz DTGGVWPBONBWNJ-SFHVURJKSA-N 0 3 298.430 2.395 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](NCc2cncs2)C1 ZINC001019331895 810700461 /nfs/dbraw/zinc/70/04/61/810700461.db2.gz FXWIPPDNURUUBS-SWLSCSKDSA-N 0 3 293.436 2.436 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC[C@H](NCc3ncccc3C)C2)C1 ZINC001019353573 810703697 /nfs/dbraw/zinc/70/36/97/810703697.db2.gz RATJFCCDKQPOAO-HNNXBMFYSA-N 0 3 299.418 2.437 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C[C@H](C)c2ccccc2C)C1 ZINC001019463970 810712996 /nfs/dbraw/zinc/71/29/96/810712996.db2.gz WHJBURZNKXVQRD-HOTGVXAUSA-N 0 3 284.403 2.312 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1C ZINC001085298809 810717977 /nfs/dbraw/zinc/71/79/77/810717977.db2.gz OBFGGTGEOFHRRK-OJAKKHQRSA-N 0 3 270.804 2.412 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC001019699572 810732347 /nfs/dbraw/zinc/73/23/47/810732347.db2.gz HKUUPLCVGGUINM-JTQLQIEISA-N 0 3 297.185 2.431 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H](C2CCOCC2)C1 ZINC001122251227 815396342 /nfs/dbraw/zinc/39/63/42/815396342.db2.gz ZBAHOWVLNRDXJT-HOTGVXAUSA-N 0 3 294.439 2.335 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001020219506 810779766 /nfs/dbraw/zinc/77/97/66/810779766.db2.gz KLHOUZLEKICXAL-GMTAPVOTSA-N 0 3 292.757 2.411 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)n1C ZINC001085485552 810786956 /nfs/dbraw/zinc/78/69/56/810786956.db2.gz DINZUZFMZVMMHT-OAHLLOKOSA-N 0 3 289.423 2.446 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1OCC[C@H]1CC ZINC001085651247 810863299 /nfs/dbraw/zinc/86/32/99/810863299.db2.gz NQRXSRCEZLIGDJ-OAGGEKHMSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnc2cc[nH]c2c1 ZINC001085665593 810869143 /nfs/dbraw/zinc/86/91/43/810869143.db2.gz LLXNJCRSEREMTB-CQSZACIVSA-N 0 3 298.390 2.285 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ncc(C)cc1C ZINC001085736676 810891785 /nfs/dbraw/zinc/89/17/85/810891785.db2.gz RLAWVOLXQYJBTC-OAHLLOKOSA-N 0 3 287.407 2.421 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(CCC)n[nH]1 ZINC001085755580 810902034 /nfs/dbraw/zinc/90/20/34/810902034.db2.gz KKSNJLZOGPJBMY-AWEZNQCLSA-N 0 3 290.411 2.085 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CC(F)(F)CC[C@@H]1C ZINC001122381705 815406927 /nfs/dbraw/zinc/40/69/27/815406927.db2.gz WPHUFTHVGTZYHH-WDEREUQCSA-N 0 3 260.328 2.316 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC001085826444 810931278 /nfs/dbraw/zinc/93/12/78/810931278.db2.gz OZJFTHZVJPCNOR-QLFBSQMISA-N 0 3 280.412 2.053 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccc2[nH]c(C)nc21 ZINC001038881606 810936184 /nfs/dbraw/zinc/93/61/84/810936184.db2.gz RDYYARVLHJSDBL-ZDUSSCGKSA-N 0 3 298.390 2.252 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC12CC2 ZINC001085841982 810938761 /nfs/dbraw/zinc/93/87/61/810938761.db2.gz LJHJRUZZSVRQOD-KBPBESRZSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnn(CCC)c1 ZINC001085850307 810943019 /nfs/dbraw/zinc/94/30/19/810943019.db2.gz SZWGAFVWRWNQIQ-OAHLLOKOSA-N 0 3 290.411 2.016 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001038998752 810967364 /nfs/dbraw/zinc/96/73/64/810967364.db2.gz HKCWVMIVAODYLB-CQSZACIVSA-N 0 3 275.396 2.022 20 30 CEEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CSC)C1 ZINC001039205958 810999252 /nfs/dbraw/zinc/99/92/52/810999252.db2.gz CESRVLFIJCUQBQ-LSDHHAIUSA-N 0 3 294.464 2.076 20 30 CEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2[nH]ccc2C)C1 ZINC001039220986 811000509 /nfs/dbraw/zinc/00/05/09/811000509.db2.gz HOFOWMZGIJANMY-CVEARBPZSA-N 0 3 299.418 2.273 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CC ZINC001039336258 811013435 /nfs/dbraw/zinc/01/34/35/811013435.db2.gz XSLSYQSPMGFAJQ-KFWWJZLASA-N 0 3 262.397 2.121 20 30 CEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnccc1C ZINC001039387999 811021754 /nfs/dbraw/zinc/02/17/54/811021754.db2.gz UYDUXWZLXHDORY-SJORKVTESA-N 0 3 299.418 2.184 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc[nH]c2CC)C1 ZINC001086078373 811024110 /nfs/dbraw/zinc/02/41/10/811024110.db2.gz QLSICHGBFZURTH-TXEJJXNPSA-N 0 3 295.814 2.428 20 30 CEEDHN CC#CCN1CCC2(CCN(C(=O)[C@H]3CC34CC4)C2)CC1 ZINC001040864663 811127548 /nfs/dbraw/zinc/12/75/48/811127548.db2.gz ICZZIWZZAGIKCH-OAHLLOKOSA-N 0 3 286.419 2.124 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3sccc3C)C2)C1 ZINC001040996056 811133565 /nfs/dbraw/zinc/13/35/65/811133565.db2.gz WYSJLGLPKLHHHY-INIZCTEOSA-N 0 3 288.416 2.228 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)C3C(C)(C)C3(C)C)C2)C1 ZINC001041177655 811148343 /nfs/dbraw/zinc/14/83/43/811148343.db2.gz HOFFDQHXMUICRA-GOSISDBHSA-N 0 3 288.435 2.226 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H](F)C2)C1 ZINC001086458176 811149597 /nfs/dbraw/zinc/14/95/97/811149597.db2.gz GOVDHNKDFAIATF-RVMXOQNASA-N 0 3 288.794 2.362 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CC34CCCC4)C2)C1 ZINC001041772293 811192757 /nfs/dbraw/zinc/19/27/57/811192757.db2.gz ALUJTKQQRYXBCB-RDJZCZTQSA-N 0 3 286.419 2.124 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)C(C)(C)C(C)(F)F)C2)C1 ZINC001041809015 811195288 /nfs/dbraw/zinc/19/52/88/811195288.db2.gz DPKHGQNFHKPRCT-INIZCTEOSA-N 0 3 298.377 2.225 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cccc(C)n3)C[C@@H]21 ZINC001041936314 811219629 /nfs/dbraw/zinc/21/96/29/811219629.db2.gz ZZTNCSUOSIRKPG-ZBFHGGJFSA-N 0 3 285.391 2.112 20 30 CEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3coc(C)n3)C[C@H]21 ZINC001042030249 811235086 /nfs/dbraw/zinc/23/50/86/811235086.db2.gz YZLGYRUJXIFTSK-DZGCQCFKSA-N 0 3 289.379 2.096 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(C(F)F)CC3)C[C@H]21 ZINC001042060934 811239284 /nfs/dbraw/zinc/23/92/84/811239284.db2.gz BGIOMAGNZWWSSE-NWDGAFQWSA-N 0 3 284.350 2.141 20 30 CEEDHN C#CCN1CC[C@@H]2CCN(C(=O)Cc3cccc(C)c3)C[C@@H]21 ZINC001042212452 811256297 /nfs/dbraw/zinc/25/62/97/811256297.db2.gz DPVQVZRGEROSOU-MSOLQXFVSA-N 0 3 296.414 2.094 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)C3(CC)CC3)C[C@@H]21 ZINC001042221812 811259668 /nfs/dbraw/zinc/25/96/68/811259668.db2.gz MVTPAPMXGZZPAV-GJZGRUSLSA-N 0 3 274.408 2.123 20 30 CEEDHN C[C@@H](N)c1ccn(-c2c(C#N)cnc3nc(Cl)ccc32)n1 ZINC001169230455 811444507 /nfs/dbraw/zinc/44/45/07/811444507.db2.gz RYVSHFLGPBDRRX-MRVPVSSYSA-N 0 3 298.737 2.360 20 30 CEEDHN CCN(CC)C(=O)C[C@@H](C)NCc1csc(C#N)c1 ZINC001169450987 811515224 /nfs/dbraw/zinc/51/52/24/811515224.db2.gz DXYUNHWBCNIFRI-LLVKDONJSA-N 0 3 279.409 2.356 20 30 CEEDHN C[C@H](CCCC#N)N1CC2(CN(c3ccccc3)C2=O)C1 ZINC001172507010 815457249 /nfs/dbraw/zinc/45/72/49/815457249.db2.gz NLMUZVXSZUQJOB-CQSZACIVSA-N 0 3 283.375 2.418 20 30 CEEDHN COc1ccnc(N2CCN([C@H](C)CCCC#N)CC2)c1 ZINC001172510085 815458745 /nfs/dbraw/zinc/45/87/45/815458745.db2.gz VGDXUQZGIMWVTA-CQSZACIVSA-N 0 3 288.395 2.295 20 30 CEEDHN CCOC(=O)N1CCC[C@@H](N[C@H](CC)CC#N)CC1 ZINC001169662360 811611728 /nfs/dbraw/zinc/61/17/28/811611728.db2.gz RHJXKXSYGUWCHX-CHWSQXEVSA-N 0 3 267.373 2.279 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2ncc(C)cc2C)CC1 ZINC001045510921 811619461 /nfs/dbraw/zinc/61/94/61/811619461.db2.gz NJRQDNYZUJUVAW-UHFFFAOYSA-N 0 3 287.407 2.469 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2ccn(C)c2C)CC1 ZINC001045549724 811625305 /nfs/dbraw/zinc/62/53/05/811625305.db2.gz LMUKWHUUSINVLS-UHFFFAOYSA-N 0 3 275.396 2.104 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)c2cccn2CC)CC1 ZINC001045641737 811635797 /nfs/dbraw/zinc/63/57/97/811635797.db2.gz OSIKRRDBBAKJNF-UHFFFAOYSA-N 0 3 287.407 2.116 20 30 CEEDHN C=CC[C@H](Nc1ccc2nc(C)[nH]c2c1)C(=O)OC ZINC001169839182 811683214 /nfs/dbraw/zinc/68/32/14/811683214.db2.gz TWCJQJHSMDRCNE-LBPRGKRZSA-N 0 3 259.309 2.401 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)C2CCCCC2)C1 ZINC001046105856 811684583 /nfs/dbraw/zinc/68/45/83/811684583.db2.gz NROUZGLIHLWDKO-HNNXBMFYSA-N 0 3 250.386 2.333 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2sccc2C)C1 ZINC001046104990 811685706 /nfs/dbraw/zinc/68/57/06/811685706.db2.gz WHTUNIOGSFJHRQ-OAHLLOKOSA-N 0 3 276.405 2.274 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001046509048 811766125 /nfs/dbraw/zinc/76/61/25/811766125.db2.gz YBHJVDIAFOZCTG-QGZVFWFLSA-N 0 3 298.390 2.023 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001046550117 811772792 /nfs/dbraw/zinc/77/27/92/811772792.db2.gz DDXJYTFPUIRKMR-RHSMWYFYSA-N 0 3 276.424 2.417 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001046581253 811779194 /nfs/dbraw/zinc/77/91/94/811779194.db2.gz HUBDCDMLBCPAMZ-KRWDZBQOSA-N 0 3 298.390 2.333 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2occc2CC)C1 ZINC001046595376 811780786 /nfs/dbraw/zinc/78/07/86/811780786.db2.gz GIAWRMUWKRLIOQ-MRXNPFEDSA-N 0 3 274.364 2.060 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccn(C)c2C)C1 ZINC001046603142 811783345 /nfs/dbraw/zinc/78/33/45/811783345.db2.gz VDYNYKGLPFGAGG-INIZCTEOSA-N 0 3 275.396 2.104 20 30 CEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCC)C2 ZINC001108935625 811796850 /nfs/dbraw/zinc/79/68/50/811796850.db2.gz YFKPWIWINJWQCQ-PMPSAXMXSA-N 0 3 294.439 2.491 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(C)=O)C2 ZINC001108933214 811797403 /nfs/dbraw/zinc/79/74/03/811797403.db2.gz PDQDMDYESRRYNK-ILXRZTDVSA-N 0 3 278.396 2.043 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cnn3ccccc23)C1 ZINC001046707395 811803810 /nfs/dbraw/zinc/80/38/10/811803810.db2.gz SJLWDIDLTFUTIB-KRWDZBQOSA-N 0 3 298.390 2.105 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCF ZINC001109037939 811816136 /nfs/dbraw/zinc/81/61/36/811816136.db2.gz HRPFPNNHFDTSRD-XGUBFFRZSA-N 0 3 298.402 2.049 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC001046814557 811822135 /nfs/dbraw/zinc/82/21/35/811822135.db2.gz KIYNUMYARGKWIF-GOSISDBHSA-N 0 3 299.418 2.059 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C/C(C)(C)C)C2 ZINC001109085797 811822238 /nfs/dbraw/zinc/82/22/38/811822238.db2.gz JZEGFSXSIXHJCW-QQCCPQOUSA-N 0 3 274.408 2.334 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001046828994 811824683 /nfs/dbraw/zinc/82/46/83/811824683.db2.gz PHKLQXSCKODDSE-GOSISDBHSA-N 0 3 295.386 2.385 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cccn2CC)C1 ZINC001046838287 811826379 /nfs/dbraw/zinc/82/63/79/811826379.db2.gz JRLWEDGUOHSFKI-MRXNPFEDSA-N 0 3 275.396 2.278 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)OC[C@@H]1CCN1C(C)(C)C ZINC001123132255 815482903 /nfs/dbraw/zinc/48/29/03/815482903.db2.gz VYTKUTJPQXFHHH-IHRRRGAJSA-N 0 3 281.396 2.384 20 30 CEEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1conc1C)C2 ZINC001109663447 811924904 /nfs/dbraw/zinc/92/49/04/811924904.db2.gz QNNLDIZSKKQDCE-SNPRPXQTSA-N 0 3 289.379 2.284 20 30 CEEDHN C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC)CC1 ZINC001109681787 811926160 /nfs/dbraw/zinc/92/61/60/811926160.db2.gz HWUXQMUXQGFYIL-RDBSUJKOSA-N 0 3 262.397 2.474 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC ZINC001109679466 811926944 /nfs/dbraw/zinc/92/69/44/811926944.db2.gz ZBWYCHKRENNHLU-OSFYFWSMSA-N 0 3 250.386 2.330 20 30 CEEDHN CCC(=O)N1C[C@H](C)[C@H](CNCc2ccccc2C#N)C1 ZINC001048090015 811935489 /nfs/dbraw/zinc/93/54/89/811935489.db2.gz HUSNFHNFDRQJFL-XJKSGUPXSA-N 0 3 285.391 2.152 20 30 CEEDHN CCn1ccnc1C(C#N)C(=O)CCCOc1cccnc1 ZINC001123236825 815492079 /nfs/dbraw/zinc/49/20/79/815492079.db2.gz FPVBVBMCRJOTBU-CQSZACIVSA-N 0 3 298.346 2.333 20 30 CEEDHN CCn1ccnc1C(C#N)C(=O)c1cnn2ccc(C)cc12 ZINC001123233476 815492308 /nfs/dbraw/zinc/49/23/08/815492308.db2.gz JXDBEHTVOKSNEV-LBPRGKRZSA-N 0 3 293.330 2.349 20 30 CEEDHN C=C(Br)CNC1(CNC(C)=O)CCCCC1 ZINC001115372427 812006336 /nfs/dbraw/zinc/00/63/36/812006336.db2.gz UUKOHISWEHDAON-UHFFFAOYSA-N 0 3 289.217 2.324 20 30 CEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCCCOC)CC1 ZINC001112679874 812041859 /nfs/dbraw/zinc/04/18/59/812041859.db2.gz FZKXWYIQRKCMQR-OAHLLOKOSA-N 0 3 282.428 2.302 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001049044973 812063564 /nfs/dbraw/zinc/06/35/64/812063564.db2.gz LIWRMGGGXIDIGG-OAGGEKHMSA-N 0 3 288.435 2.226 20 30 CEEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C)on1 ZINC001049307628 812114454 /nfs/dbraw/zinc/11/44/54/812114454.db2.gz HWEAWGBGZCNUKE-LSDHHAIUSA-N 0 3 289.379 2.238 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C)n1 ZINC001049331851 812121221 /nfs/dbraw/zinc/12/12/21/812121221.db2.gz OGKIKQRQZBVRFS-JKSUJKDBSA-N 0 3 285.391 2.255 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1ccoc1 ZINC001049444739 812148740 /nfs/dbraw/zinc/14/87/40/812148740.db2.gz OZLGAYCDQFCCCL-GJZGRUSLSA-N 0 3 274.364 2.073 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc[nH]c1CC ZINC001049455017 812150227 /nfs/dbraw/zinc/15/02/27/812150227.db2.gz WGEMDIRNPQTOFR-JKSUJKDBSA-N 0 3 287.407 2.442 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC1(F)F ZINC001049546693 812164637 /nfs/dbraw/zinc/16/46/37/812164637.db2.gz RSSAKKXEHXTPPB-BFHYXJOUSA-N 0 3 296.361 2.120 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(F)c[nH]1 ZINC001049597326 812171580 /nfs/dbraw/zinc/17/15/80/812171580.db2.gz DDQJYIHSODWIJO-UONOGXRCSA-N 0 3 277.343 2.019 20 30 CEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCCF)CC1 ZINC001113212600 812183713 /nfs/dbraw/zinc/18/37/13/812183713.db2.gz QNLQIHWQGUJMCQ-ZDUSSCGKSA-N 0 3 256.365 2.235 20 30 CEEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cc1cccc(C)c1 ZINC001049692162 812189769 /nfs/dbraw/zinc/18/97/69/812189769.db2.gz QLUZOKRQLHNLEL-MSOLQXFVSA-N 0 3 296.414 2.236 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C(C)(F)F ZINC001049729375 812200007 /nfs/dbraw/zinc/20/00/07/812200007.db2.gz VKSGFFUPHAHKCU-MELADBBJSA-N 0 3 298.377 2.366 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C(C)C ZINC001049771697 812206625 /nfs/dbraw/zinc/20/66/25/812206625.db2.gz ZQBMPEMWKQSBQH-HRCADAONSA-N 0 3 276.424 2.367 20 30 CEEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1nocc1C ZINC001049832840 812216280 /nfs/dbraw/zinc/21/62/80/812216280.db2.gz ZAHWKIRPVMYKLX-KBPBESRZSA-N 0 3 289.379 2.238 20 30 CEEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cccc1 ZINC001049854538 812220709 /nfs/dbraw/zinc/22/07/09/812220709.db2.gz MLDJTVIBJVNTGD-IXDOHACOSA-N 0 3 299.418 2.138 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)CCC3)CC1 ZINC001052925021 812476785 /nfs/dbraw/zinc/47/67/85/812476785.db2.gz MAAKRIXWMCWDNQ-GOSISDBHSA-N 0 3 296.414 2.393 20 30 CEEDHN CC#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)C(F)F)C1 ZINC001053059047 812487859 /nfs/dbraw/zinc/48/78/59/812487859.db2.gz RAYIWEXUPHHPOK-KBPBESRZSA-N 0 3 298.377 2.368 20 30 CEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)F)C2 ZINC001054068366 812529231 /nfs/dbraw/zinc/52/92/31/812529231.db2.gz GVVRCWNGBXUMEX-MRXNPFEDSA-N 0 3 280.387 2.072 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)CC1CCC1)C2 ZINC001054110043 812539155 /nfs/dbraw/zinc/53/91/55/812539155.db2.gz WQQXVKSPMKVGML-QGZVFWFLSA-N 0 3 274.408 2.124 20 30 CEEDHN CC#CCNCCNC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 ZINC001131064546 812634933 /nfs/dbraw/zinc/63/49/33/812634933.db2.gz QCPDXBOYABNJJE-HIFRSBDPSA-N 0 3 288.391 2.065 20 30 CEEDHN C=CCOCCN1C[C@@H](NC(=O)C2CCCC2)CC[C@@H]1C ZINC001131731119 812711825 /nfs/dbraw/zinc/71/18/25/812711825.db2.gz UWAYKXIXIAKDQT-HOCLYGCPSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCOCCN1C[C@H](NC(=O)CC2CCC2)CC[C@H]1C ZINC001131931114 812754154 /nfs/dbraw/zinc/75/41/54/812754154.db2.gz NHNCHGHESGUILX-GDBMZVCRSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)C(=O)C(C)(C)C)CC[C@H]1C ZINC001131938044 812759678 /nfs/dbraw/zinc/75/96/78/812759678.db2.gz CECNTWQRGSFBAO-OLZOCXBDSA-N 0 3 280.412 2.147 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)CC2(OC)CCC2)CC[C@H]1C ZINC001131996192 812770698 /nfs/dbraw/zinc/77/06/98/812770698.db2.gz RPJWDYRLMZJOKA-KGLIPLIRSA-N 0 3 280.412 2.101 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CC2(OC)CCC2)CC[C@H]1C ZINC001131996194 812770997 /nfs/dbraw/zinc/77/09/97/812770997.db2.gz RPJWDYRLMZJOKA-ZIAGYGMSSA-N 0 3 280.412 2.101 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)N(CCCO)C1 ZINC001132058297 812780991 /nfs/dbraw/zinc/78/09/91/812780991.db2.gz XPETWUAGRWQUSJ-GOEBONIOSA-N 0 3 294.439 2.106 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3cc(F)c[nH]3)[C@@H]2C1 ZINC001050097761 812781353 /nfs/dbraw/zinc/78/13/53/812781353.db2.gz BXBJGRCRBZJQOJ-SWLSCSKDSA-N 0 3 291.370 2.266 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H](C)C(F)(F)F)[C@@H]2C1 ZINC001050114995 812785167 /nfs/dbraw/zinc/78/51/67/812785167.db2.gz IJLQTDRKLDRPRD-GRYCIOLGSA-N 0 3 290.329 2.294 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cc(C)[nH]c3C)[C@@H]2C1 ZINC001050150846 812788656 /nfs/dbraw/zinc/78/86/56/812788656.db2.gz CEIYAILMZCYKQO-GOEBONIOSA-N 0 3 287.407 2.354 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CC(C)(F)F)CC[C@H]1C ZINC001132296673 812824607 /nfs/dbraw/zinc/82/46/07/812824607.db2.gz UTSGIKVIYWWBNS-GHMZBOCLSA-N 0 3 260.328 2.187 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)/C=C(/C)C3CC3)C2)CC1 ZINC001050448981 812826352 /nfs/dbraw/zinc/82/63/52/812826352.db2.gz ZQLKBACIQDXMDB-QINSGFPZSA-N 0 3 286.419 2.290 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C3(F)CCCC3)C2)CC1 ZINC001050573786 812839433 /nfs/dbraw/zinc/83/94/33/812839433.db2.gz MYUCZGULKWYGIF-UHFFFAOYSA-N 0 3 292.398 2.216 20 30 CEEDHN C#CCCCCCC(=O)NCCNCc1cccnc1C ZINC001132398932 812840318 /nfs/dbraw/zinc/84/03/18/812840318.db2.gz VGXYVVXTKDVJJM-UHFFFAOYSA-N 0 3 287.407 2.180 20 30 CEEDHN Cc1ccc(C#N)c(N2CCCc3ccc(CN)nc32)n1 ZINC001158648527 812877308 /nfs/dbraw/zinc/87/73/08/812877308.db2.gz AAWUDEGHAHFEDL-UHFFFAOYSA-N 0 3 279.347 2.200 20 30 CEEDHN CC(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001052125585 812926439 /nfs/dbraw/zinc/92/64/39/812926439.db2.gz WJKXNDYCCSVFMU-INIZCTEOSA-N 0 3 271.364 2.049 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)C(C)=C2CCC2)CC1 ZINC001052372353 812985050 /nfs/dbraw/zinc/98/50/50/812985050.db2.gz CJBVUEUGLVBJQG-HNNXBMFYSA-N 0 3 260.381 2.091 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)C[C@@H]2C=CCCC2)CC1 ZINC001052490670 812999320 /nfs/dbraw/zinc/99/93/20/812999320.db2.gz VYXHRUSKDZVRGF-HZPDHXFCSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)C23CCC(CC2)C3)CC1 ZINC001052497504 812999826 /nfs/dbraw/zinc/99/98/26/812999826.db2.gz CKFFFSWBVTVERW-ISXOHVOVSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)[C@H]2CCCC23CC3)CC1 ZINC001052491791 812999950 /nfs/dbraw/zinc/99/99/50/812999950.db2.gz KLLRIPUEBNTPMW-HUUCEWRRSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)C2(C3CC3)CCC2)CC1 ZINC001052597288 813011593 /nfs/dbraw/zinc/01/15/93/813011593.db2.gz UVHSNCCAEZAHGQ-OAHLLOKOSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)CC2CC(C)(C)C2)CC1 ZINC001052652270 813020802 /nfs/dbraw/zinc/02/08/02/813020802.db2.gz XBLNQUHMVOKSQS-HNNXBMFYSA-N 0 3 276.424 2.417 20 30 CEEDHN CCC(=O)N[C@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001133417695 813052634 /nfs/dbraw/zinc/05/26/34/813052634.db2.gz FHZCJODJDIZZTQ-QWHCGFSZSA-N 0 3 273.380 2.341 20 30 CEEDHN C=C(Cl)CN[C@@H](C)C[C@@H](C)NC(=O)CCCC(C)=O ZINC001133662679 813131036 /nfs/dbraw/zinc/13/10/36/813131036.db2.gz SHHJCSPYQUGVOT-NWDGAFQWSA-N 0 3 288.819 2.371 20 30 CEEDHN C/C(=C\C(=O)NCCNCc1ccc(C#N)s1)C1CC1 ZINC001124217380 815604504 /nfs/dbraw/zinc/60/45/04/815604504.db2.gz PUUCOYSGKQYZQV-DHZHZOJOSA-N 0 3 289.404 2.182 20 30 CEEDHN Cc1cc(C(=O)NCCNCc2ccc(C#N)cc2)c(C)[nH]1 ZINC001134423807 813264304 /nfs/dbraw/zinc/26/43/04/813264304.db2.gz YIOGRGFNBAYILX-UHFFFAOYSA-N 0 3 296.374 2.023 20 30 CEEDHN C=CCC(C)(C)C(=O)NCCNCc1scnc1C ZINC001134410190 813266300 /nfs/dbraw/zinc/26/63/00/813266300.db2.gz HPTPUNCVHMLCKY-UHFFFAOYSA-N 0 3 281.425 2.260 20 30 CEEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1nccn1C ZINC001134469458 813277067 /nfs/dbraw/zinc/27/70/67/813277067.db2.gz CKAGSWVFPKLGJV-KGLIPLIRSA-N 0 3 292.427 2.149 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H](CC)CC1CCCC1 ZINC001134688598 813311150 /nfs/dbraw/zinc/31/11/50/813311150.db2.gz RYLYPVNDMVSZKT-HNNXBMFYSA-N 0 3 264.413 2.322 20 30 CEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CC(C)C)C[C@@H](C)O2 ZINC001071131458 813324861 /nfs/dbraw/zinc/32/48/61/813324861.db2.gz GYJPGSACGKREAC-WBVHZDCISA-N 0 3 294.439 2.300 20 30 CEEDHN CC#CCN1CC=C(CCNC(=O)c2ccccc2O)CC1 ZINC001159325929 813348644 /nfs/dbraw/zinc/34/86/44/813348644.db2.gz SBIXDLDMBLEIMW-UHFFFAOYSA-N 0 3 298.386 2.168 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C)o2)CC[C@@H]1C ZINC001071331363 813368374 /nfs/dbraw/zinc/36/83/74/813368374.db2.gz BOOZCEYKOSKWRO-JSGCOSHPSA-N 0 3 274.364 2.194 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(C)n2C)CC[C@@H]1C ZINC001071345248 813371558 /nfs/dbraw/zinc/37/15/58/813371558.db2.gz PNHNWCQYCQVPQN-GJZGRUSLSA-N 0 3 289.423 2.492 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc[nH]2)CC[C@H]1C ZINC001071343410 813371960 /nfs/dbraw/zinc/37/19/60/813371960.db2.gz XXYNCPDXZQSIPL-CHWSQXEVSA-N 0 3 261.369 2.174 20 30 CEEDHN CC#CCNCCNC(=O)C[C@H](C)C1CCCCC1 ZINC001135222350 813386795 /nfs/dbraw/zinc/38/67/95/813386795.db2.gz HXAHIVIVODLEFP-AWEZNQCLSA-N 0 3 264.413 2.322 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)CC2CCC2)CC[C@H]1C ZINC001071398138 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C=CCN1CCC2(CN(C(=O)c3ccc(F)cc3)C2)C1 ZINC001072397661 813581946 /nfs/dbraw/zinc/58/19/46/813581946.db2.gz KPIRBODSVIWSKM-UHFFFAOYSA-N 0 3 274.339 2.160 20 30 CEEDHN CC(C)[C@@H]1C[C@@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001136061958 813593589 /nfs/dbraw/zinc/59/35/89/813593589.db2.gz UHPYWMKDLHLOTP-KBPBESRZSA-N 0 3 291.420 2.118 20 30 CEEDHN CC[C@@]1(C)C[C@@H]1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001136089818 813612313 /nfs/dbraw/zinc/61/23/13/813612313.db2.gz OKMNLZWDKYCTGT-WBVHZDCISA-N 0 3 285.391 2.200 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CCCC34CC4)C2)C1 ZINC001072848756 813673164 /nfs/dbraw/zinc/67/31/64/813673164.db2.gz JRGUAAAMPFJCGG-HNNXBMFYSA-N 0 3 286.419 2.124 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)c3ccco3)C2)C1 ZINC001072974460 813705596 /nfs/dbraw/zinc/70/55/96/813705596.db2.gz FTJWKFGXWNKDOW-CYBMUJFWSA-N 0 3 274.364 2.103 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C2(C)CCCCC2)[C@H](O)C1 ZINC001090541783 813706733 /nfs/dbraw/zinc/70/67/33/813706733.db2.gz YACHJAXTYXAWHC-LSDHHAIUSA-N 0 3 294.439 2.084 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C3Cc4ccccc4C3)C2)C1 ZINC001073009808 813712453 /nfs/dbraw/zinc/71/24/53/813712453.db2.gz MVTIOXATHKQVGI-UHFFFAOYSA-N 0 3 296.414 2.122 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3cnoc3C(C)C)C2)C1 ZINC001073099653 813726447 /nfs/dbraw/zinc/72/64/47/813726447.db2.gz DUWSPQRQUHSADL-UHFFFAOYSA-N 0 3 289.379 2.132 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@H](C)c3ccco3)C2)C1 ZINC001073130337 813730721 /nfs/dbraw/zinc/73/07/21/813730721.db2.gz RZQFHALWZQDLQV-AWEZNQCLSA-N 0 3 288.391 2.494 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(CF)cc3)C2)C1 ZINC001073471988 813754942 /nfs/dbraw/zinc/75/49/42/813754942.db2.gz XSNLHBWYMUBKNO-UHFFFAOYSA-N 0 3 288.366 2.490 20 30 CEEDHN Cc1cccn2c(CN3CCC4SC(=O)C=C4C3)cnc12 ZINC001136959828 813804148 /nfs/dbraw/zinc/80/41/48/813804148.db2.gz VYROEYHRDPJZQZ-CQSZACIVSA-N 0 3 299.399 2.417 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccoc2C)C1 ZINC001090916572 813887869 /nfs/dbraw/zinc/88/78/69/813887869.db2.gz OFHVZHVORXLYKR-UHFFFAOYSA-N 0 3 282.771 2.439 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1OC)C2 ZINC001098264045 813915639 /nfs/dbraw/zinc/91/56/39/813915639.db2.gz JBIXANNAWPOPBV-BMFZPTHFSA-N 0 3 298.386 2.054 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2)C1 ZINC001098708631 813939782 /nfs/dbraw/zinc/93/97/82/813939782.db2.gz SVKKAMAOCOXTAB-RDJZCZTQSA-N 0 3 270.376 2.457 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C2CC2)C1 ZINC001098778306 813948355 /nfs/dbraw/zinc/94/83/55/813948355.db2.gz ZLBOSNWSWNHCPG-QRTARXTBSA-N 0 3 274.408 2.027 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)CN1CCO ZINC001099171350 813991456 /nfs/dbraw/zinc/99/14/56/813991456.db2.gz PBOSXBINKFOZNQ-CQSZACIVSA-N 0 3 296.455 2.188 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CCOC ZINC001099344787 814000495 /nfs/dbraw/zinc/00/04/95/814000495.db2.gz PPDQVDNQFWDRDV-LSDHHAIUSA-N 0 3 296.455 2.452 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C2(CCCC)CC2)[C@H](O)C1 ZINC001099994998 814051104 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ZINC001101426343 814258620 /nfs/dbraw/zinc/25/86/20/814258620.db2.gz AVRSHEBWUQLDKJ-NUJGCVRESA-N 0 3 290.451 2.472 20 30 CEEDHN C=CCCC(=O)NC[C@@H]1CN(Cc2cc(C)no2)C[C@H]1C ZINC001101804129 814316189 /nfs/dbraw/zinc/31/61/89/814316189.db2.gz ONTZJGZICSAUEE-TZMCWYRMSA-N 0 3 291.395 2.133 20 30 CEEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CN(CCF)C[C@H]1C ZINC001101998241 814352498 /nfs/dbraw/zinc/35/24/98/814352498.db2.gz ZOGXMNBJLZHYEC-UKRRQHHQSA-N 0 3 282.403 2.408 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C=C(CC)CC)C2)C1 ZINC001147328703 814421276 /nfs/dbraw/zinc/42/12/76/814421276.db2.gz AUORAXTVQVVCRU-UHFFFAOYSA-N 0 3 262.397 2.453 20 30 CEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cocn2)C1 ZINC001102778942 814426295 /nfs/dbraw/zinc/42/62/95/814426295.db2.gz LFDXNFZHFBZDAL-ZYHUDNBSSA-N 0 3 297.786 2.115 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H](F)CC1CCCCC1 ZINC001147949566 814515995 /nfs/dbraw/zinc/51/59/95/814515995.db2.gz DPGPESTYXKJCRF-AWEZNQCLSA-N 0 3 268.376 2.024 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)CC(=C)C)C2)C1 ZINC001148146208 814527179 /nfs/dbraw/zinc/52/71/79/814527179.db2.gz AAWCRARACMVMBO-AWEZNQCLSA-N 0 3 262.397 2.309 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)[C@@H](C)C=C)C2)C1 ZINC001148137943 814527601 /nfs/dbraw/zinc/52/76/01/814527601.db2.gz JIUGIQZATBIMJK-UONOGXRCSA-N 0 3 262.397 2.165 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)CCCC3CC3)C2)C1 ZINC001148116987 814529342 /nfs/dbraw/zinc/52/93/42/814529342.db2.gz KIGJVGUNNSYNHW-UHFFFAOYSA-N 0 3 262.397 2.287 20 30 CEEDHN Cc1ccccc1[C@H](CO)NC[C@H](O)c1ccc(C#N)cc1 ZINC000782084406 814615259 /nfs/dbraw/zinc/61/52/59/814615259.db2.gz XDFZECPRVRSBGY-ROUUACIJSA-N 0 3 296.370 2.223 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C(C)C)C1 ZINC001111889027 814627654 /nfs/dbraw/zinc/62/76/54/814627654.db2.gz UENJOJHGSVDMTE-YCPHGPKFSA-N 0 3 264.413 2.435 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C3CCC3)C2)CC1 ZINC001086896529 814644717 /nfs/dbraw/zinc/64/47/17/814644717.db2.gz OLPMTHUIBGVJLL-AWEZNQCLSA-N 0 3 274.408 2.123 20 30 CEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccc[nH]3)C2)CC1 ZINC001086902997 814647142 /nfs/dbraw/zinc/64/71/42/814647142.db2.gz UMBBLKSFGKIERH-OAHLLOKOSA-N 0 3 299.418 2.355 20 30 CEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3C[C@@H]3C)C2)CC1 ZINC001086937510 814653126 /nfs/dbraw/zinc/65/31/26/814653126.db2.gz QZIVXODSBVCWEG-XHSDSOJGSA-N 0 3 288.435 2.369 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccoc3C3CC3)C[C@]2(C)C1 ZINC001091955180 814684509 /nfs/dbraw/zinc/68/45/09/814684509.db2.gz LAQQSDBQBJKMGN-KDOFPFPSSA-N 0 3 298.386 2.184 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2cccc(C(C)C)n2)[C@H](C)C1 ZINC001092785896 814729491 /nfs/dbraw/zinc/72/94/91/814729491.db2.gz OIHFLPFEJROESJ-HUUCEWRRSA-N 0 3 299.418 2.136 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2coc(C(F)F)c2)[C@H](C)C1 ZINC001092915684 814734091 /nfs/dbraw/zinc/73/40/91/814734091.db2.gz QVGWBAUDBUNJAF-ZYHUDNBSSA-N 0 3 296.317 2.148 20 30 CEEDHN C=CC[C@@H](C)NCc1cn(C)nc1Br ZINC000712408682 814743440 /nfs/dbraw/zinc/74/34/40/814743440.db2.gz KYMNCZVCZWUEHR-MRVPVSSYSA-N 0 3 258.163 2.237 20 30 CEEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(OCC#N)cc1 ZINC001116642761 814872074 /nfs/dbraw/zinc/87/20/74/814872074.db2.gz ALGNVAHAWSWJKS-OCCSQVGLSA-N 0 3 260.337 2.441 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCC1)C2 ZINC001095085569 815651666 /nfs/dbraw/zinc/65/16/66/815651666.db2.gz SOHAZPHDJWEVFJ-ILXRZTDVSA-N 0 3 262.397 2.474 20 30 CEEDHN COc1ccc(CN2CCN(C)C(C)(C)C2)c(C#N)c1 ZINC001137704453 815669799 /nfs/dbraw/zinc/66/97/99/815669799.db2.gz GKXYDSHCXYYZJL-UHFFFAOYSA-N 0 3 273.380 2.093 20 30 CEEDHN COC1C[C@@H]2COC[C@H](C1)N2C1CCC(CC#N)CC1 ZINC001173335808 815680614 /nfs/dbraw/zinc/68/06/14/815680614.db2.gz ZJEPEFKLLXAUBG-OZEOOWDWSA-N 0 3 278.396 2.337 20 30 CEEDHN COc1ccnc(N[C@H]2CCN(C3CCC3)C2)c1C#N ZINC001161178086 815686905 /nfs/dbraw/zinc/68/69/05/815686905.db2.gz VZRQHVXTHZBXPI-NSHDSACASA-N 0 3 272.352 2.001 20 30 CEEDHN C[C@@H](CC#N)NC1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173428104 815720164 /nfs/dbraw/zinc/72/01/64/815720164.db2.gz MGEPPEHAJXVROE-ZDUSSCGKSA-N 0 3 296.374 2.055 20 30 CEEDHN N=C(NC1Cc2cc(F)c(F)cc2C1)c1ccc(F)cn1 ZINC001173474547 815724198 /nfs/dbraw/zinc/72/41/98/815724198.db2.gz WOCUTFSREFHVRK-UHFFFAOYSA-N 0 3 291.276 2.372 20 30 CEEDHN CC1(C#N)CCC(N2CCN(c3ncccc3N)CC2)CC1 ZINC001173597664 815756709 /nfs/dbraw/zinc/75/67/09/815756709.db2.gz FZOPZGQFHOGVHM-UHFFFAOYSA-N 0 3 299.422 2.258 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c1[O-] ZINC001138627768 815849979 /nfs/dbraw/zinc/84/99/79/815849979.db2.gz FKSFXJDRIJXGQO-DZGCQCFKSA-N 0 3 259.349 2.341 20 30 CEEDHN C=CCc1cccc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c1[O-] ZINC001138627768 815849987 /nfs/dbraw/zinc/84/99/87/815849987.db2.gz FKSFXJDRIJXGQO-DZGCQCFKSA-N 0 3 259.349 2.341 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)c1ccnc(Cl)c1F ZINC001139870141 816130630 /nfs/dbraw/zinc/13/06/30/816130630.db2.gz ZNIXDSDOAYWJPL-UHFFFAOYSA-N 0 3 299.777 2.454 20 30 CEEDHN CCN(CCCC(=O)OC)Cc1cc(F)cc(C#N)c1 ZINC001139873202 816132884 /nfs/dbraw/zinc/13/28/84/816132884.db2.gz DYDRYTCZIAEVCZ-UHFFFAOYSA-N 0 3 278.327 2.472 20 30 CEEDHN CN1CC2(C1)CCN(Cc1cccc(C#N)c1Cl)C2 ZINC001140812565 816372850 /nfs/dbraw/zinc/37/28/50/816372850.db2.gz BCOFJANZBFYAJM-UHFFFAOYSA-N 0 3 275.783 2.349 20 30 CEEDHN COc1cc(NC(=O)C(C#N)Cc2cccs2)no1 ZINC001177904135 816639246 /nfs/dbraw/zinc/63/92/46/816639246.db2.gz NGDDIASZCIALSZ-MRVPVSSYSA-N 0 3 277.305 2.066 20 30 CEEDHN CC#CC[NH2+]CCCCCCNC(=O)c1ccccc1[O-] ZINC001177899544 816639496 /nfs/dbraw/zinc/63/94/96/816639496.db2.gz XBHFCNANDMZJGW-UHFFFAOYSA-N 0 3 288.391 2.295 20 30 CEEDHN CC(C)(C)N1CC(NC(=O)C(C#N)Cc2cccs2)C1 ZINC001177917605 816644251 /nfs/dbraw/zinc/64/42/51/816644251.db2.gz KDMOVELLLQURRZ-LLVKDONJSA-N 0 3 291.420 2.029 20 30 CEEDHN O=C1C=C2CN(Cc3cccc4n[nH]cc43)CCC2S1 ZINC001143089004 816782212 /nfs/dbraw/zinc/78/22/12/816782212.db2.gz HLWWJIIWZZNMRL-AWEZNQCLSA-N 0 3 285.372 2.337 20 30 CEEDHN CCN1CCN(Cc2ccccc2C#N)C(C)(C)C1 ZINC001204375183 816880275 /nfs/dbraw/zinc/88/02/75/816880275.db2.gz QGIOWGBDCJVUPY-UHFFFAOYSA-N 0 3 257.381 2.474 20 30 CEEDHN C=CCCC(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000620915558 349459934 /nfs/dbraw/zinc/45/99/34/349459934.db2.gz LYNYQEYBPUKKLY-CQSZACIVSA-N 0 3 280.412 2.054 20 30 CEEDHN CCc1nnc(N(C)C[C@@H]2CCCN2C)c(C#N)c1CC ZINC000125005343 187165038 /nfs/dbraw/zinc/16/50/38/187165038.db2.gz NFOLYKQSUQBCRP-LBPRGKRZSA-N 0 3 287.411 2.003 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc(F)c(C#N)c1 ZINC000336543728 365624820 /nfs/dbraw/zinc/62/48/20/365624820.db2.gz KGDPLIJBAQLIJL-LBPRGKRZSA-N 0 3 289.354 2.111 20 30 CEEDHN C[C@@H]1CCCN(CCOc2cccc(C#N)c2)[C@@H]1CO ZINC000125167467 187173278 /nfs/dbraw/zinc/17/32/78/187173278.db2.gz NEKHVBUPFOZRMP-CZUORRHYSA-N 0 3 274.364 2.030 20 30 CEEDHN C=CCCCN[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621356343 349575137 /nfs/dbraw/zinc/57/51/37/349575137.db2.gz KADCRJWOLVVTQJ-AWEZNQCLSA-N 0 3 265.378 2.212 20 30 CEEDHN C=C(C)COCCNCc1c[nH]nc1-c1cccnc1 ZINC000125772361 365686006 /nfs/dbraw/zinc/68/60/06/365686006.db2.gz AJXKMRFWZMVMLZ-UHFFFAOYSA-N 0 3 272.352 2.154 20 30 CEEDHN CN(C(=O)Nc1ccc2c(c1)CNCC2)[C@@H]1CCC[C@@H]1C#N ZINC000601567678 346851749 /nfs/dbraw/zinc/85/17/49/346851749.db2.gz URXBSMULNSBRAG-CZUORRHYSA-N 0 3 298.390 2.488 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000601690166 346879505 /nfs/dbraw/zinc/87/95/05/346879505.db2.gz VSAQPDPTJUJGSL-CKLFPEKLSA-N 0 3 280.274 2.071 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)s1 ZINC000049183705 119040643 /nfs/dbraw/zinc/04/06/43/119040643.db2.gz DQKIOPCSUXTCAQ-WDEREUQCSA-N 0 3 252.383 2.398 20 30 CEEDHN CC(C#N)C(=O)N1CCC2(CCSCC2)CC1 ZINC000601737868 346888997 /nfs/dbraw/zinc/88/89/97/346888997.db2.gz FKKMYEVKGHRKPH-LLVKDONJSA-N 0 3 252.383 2.282 20 30 CEEDHN O=C(C#Cc1ccccc1)N[C@H]1CCN(C2CCCC2)C1 ZINC000080644327 344018219 /nfs/dbraw/zinc/01/82/19/344018219.db2.gz NRHDHABOWOCTSG-INIZCTEOSA-N 0 3 282.387 2.171 20 30 CEEDHN C=CCN(CC=C)C[C@@H](O)COc1ccc(F)cc1 ZINC000046345471 362181088 /nfs/dbraw/zinc/18/10/88/362181088.db2.gz HGSMMHXQRYTOIM-CQSZACIVSA-N 0 3 265.328 2.239 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)CCc1ccc(C#N)cc1 ZINC000032663932 343414793 /nfs/dbraw/zinc/41/47/93/343414793.db2.gz VLSYOHZSYYWJKS-OAHLLOKOSA-N 0 3 299.418 2.481 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2ccc([N+](=O)[O-])cc2)nc(C)n1 ZINC000041574337 343442012 /nfs/dbraw/zinc/44/20/12/343442012.db2.gz PVVHYVBXWADKSX-CYBMUJFWSA-N 0 3 296.286 2.492 20 30 CEEDHN CNC(=O)[C@H](CC(C)C)N[C@@H](C)c1cccc(C#N)c1 ZINC000037320847 343426641 /nfs/dbraw/zinc/42/66/41/343426641.db2.gz VJECMRWVKODUQZ-WFASDCNBSA-N 0 3 273.380 2.370 20 30 CEEDHN CCN(CC(=O)N[C@](C)(C#N)C(C)C)C1CCCC1 ZINC000047966165 362235063 /nfs/dbraw/zinc/23/50/63/362235063.db2.gz FTTBZQZRHXEQKE-OAHLLOKOSA-N 0 3 265.401 2.305 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)c2cccc(CC#N)c2)C1 ZINC000044533612 343474196 /nfs/dbraw/zinc/47/41/96/343474196.db2.gz VMZZRCZUDJNFTR-AWEZNQCLSA-N 0 3 285.391 2.214 20 30 CEEDHN C[C@H]1CN(c2nccnc2C#N)CCN1CCC1CCCC1 ZINC000155590162 136395874 /nfs/dbraw/zinc/39/58/74/136395874.db2.gz PJNGUSIZRJWGCN-AWEZNQCLSA-N 0 3 299.422 2.439 20 30 CEEDHN CCN1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000045029157 343479621 /nfs/dbraw/zinc/47/96/21/343479621.db2.gz PMUFNPLRKDNHOG-UHFFFAOYSA-N 0 3 272.352 2.164 20 30 CEEDHN C[C@H](NC[C@@H](O)C[C@@](C)(O)C1CC1)c1cccc(C#N)c1 ZINC000601963632 346944335 /nfs/dbraw/zinc/94/43/35/346944335.db2.gz FDRPNOPRXJKBKA-AFAVFJNCSA-N 0 3 288.391 2.121 20 30 CEEDHN C=CCNC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000047605618 343519540 /nfs/dbraw/zinc/51/95/40/343519540.db2.gz JPNYWLSFLSZSOX-INIZCTEOSA-N 0 3 287.407 2.309 20 30 CEEDHN N#CC1(C[C@@H](O)CNCc2cccc(F)c2F)CC1 ZINC000601966482 346945259 /nfs/dbraw/zinc/94/52/59/346945259.db2.gz BGENHGHDKSWYCJ-LLVKDONJSA-N 0 3 266.291 2.109 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000050023944 343540773 /nfs/dbraw/zinc/54/07/73/343540773.db2.gz PRGZBSDFHLTCAB-OAHLLOKOSA-N 0 3 284.403 2.252 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000126812967 187263961 /nfs/dbraw/zinc/26/39/61/187263961.db2.gz FKVDHYWEOGARKO-LSDHHAIUSA-N 0 3 283.375 2.175 20 30 CEEDHN N#Cc1ccc(CCN2CCO[C@@H](C(F)F)CC2)cc1 ZINC000601973719 346947120 /nfs/dbraw/zinc/94/71/20/346947120.db2.gz JDSMPIXWLWYVTI-CQSZACIVSA-N 0 3 280.318 2.457 20 30 CEEDHN N#Cc1cccc(CN2CCC(C(=O)NC3CC3)CC2)c1 ZINC000055913867 343610609 /nfs/dbraw/zinc/61/06/09/343610609.db2.gz IVTSSZGTDXOYFB-UHFFFAOYSA-N 0 3 283.375 2.049 20 30 CEEDHN C=C[C@H](C)NC(=O)NCCN1CCCC[C@H]1CC ZINC000128278441 365782994 /nfs/dbraw/zinc/78/29/94/365782994.db2.gz GOOWSJYNWCWFEZ-QWHCGFSZSA-N 0 3 253.390 2.125 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)C2(C#N)CCCCC2)C1 ZINC000057388386 343629262 /nfs/dbraw/zinc/62/92/62/343629262.db2.gz BADXVNOXYQPSET-CQSZACIVSA-N 0 3 277.412 2.309 20 30 CEEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)C1CC1 ZINC000061191173 343665498 /nfs/dbraw/zinc/66/54/98/343665498.db2.gz PPJJJQBZCRVOCT-HNNXBMFYSA-N 0 3 261.365 2.249 20 30 CEEDHN CN(C)[C@@]1(CNCc2cccc(F)c2C#N)CCSC1 ZINC000602012223 346958315 /nfs/dbraw/zinc/95/83/15/346958315.db2.gz KVIFTFTXWRUHBX-OAHLLOKOSA-N 0 3 293.411 2.224 20 30 CEEDHN N#Cc1c(F)cccc1CN[C@H]1CCC[C@@H](CO)C1 ZINC000602022112 346962140 /nfs/dbraw/zinc/96/21/40/346962140.db2.gz WNUMRJOSODQOML-YPMHNXCESA-N 0 3 262.328 2.338 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2OC3CCC2CC3)cc1 ZINC000602212551 346995092 /nfs/dbraw/zinc/99/50/92/346995092.db2.gz WCXXTPZZHKQZIU-QQFBHYJXSA-N 0 3 295.342 2.326 20 30 CEEDHN C[C@H](C[S@@](C)=O)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000273183410 192067764 /nfs/dbraw/zinc/06/77/64/192067764.db2.gz FJCWSTREBKULLC-AUSHCKSDSA-N 0 3 268.357 2.115 20 30 CEEDHN Cc1cccc(OC[C@@H](O)CNCc2cccc(C#N)c2)c1 ZINC000048367673 362260969 /nfs/dbraw/zinc/26/09/69/362260969.db2.gz FOJIXOVNNURWMD-KRWDZBQOSA-N 0 3 296.370 2.396 20 30 CEEDHN COCCN(CCCOc1cccc(C#N)c1)C1CC1 ZINC000049028683 362325271 /nfs/dbraw/zinc/32/52/71/362325271.db2.gz UELXRPYVKSMZHX-UHFFFAOYSA-N 0 3 274.364 2.438 20 30 CEEDHN CCN1CC[C@@H](N(C)C(=O)C#Cc2ccccc2)[C@H](C)C1 ZINC000081830162 344067260 /nfs/dbraw/zinc/06/72/60/344067260.db2.gz IFZPCDWTZGGKPC-NVXWUHKLSA-N 0 3 284.403 2.227 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C[C@]1(OC)CCOC1 ZINC000602455189 347040543 /nfs/dbraw/zinc/04/05/43/347040543.db2.gz OYTALUBAOAERIH-QGZVFWFLSA-N 0 3 286.375 2.352 20 30 CEEDHN COc1ccnc(N2CCN(C[C@H](C)CCC#N)CC2)c1 ZINC000602460663 347042306 /nfs/dbraw/zinc/04/23/06/347042306.db2.gz AKDVTXKEZRCLKF-CQSZACIVSA-N 0 3 288.395 2.152 20 30 CEEDHN COc1ccc(CN2CCCCC[C@H]2CO)cc1C#N ZINC000133530585 344369010 /nfs/dbraw/zinc/36/90/10/344369010.db2.gz VUMSQFCWXQLGSO-HNNXBMFYSA-N 0 3 274.364 2.304 20 30 CEEDHN C[C@H](CCC#N)CN(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000602476313 347051173 /nfs/dbraw/zinc/05/11/73/347051173.db2.gz MTIMRNHGMGYETO-RDBSUJKOSA-N 0 3 286.441 2.214 20 30 CEEDHN COc1ccccc1CCNCc1cccc(C#N)n1 ZINC000602500314 347058510 /nfs/dbraw/zinc/05/85/10/347058510.db2.gz YUYKYQYQHMTZJB-UHFFFAOYSA-N 0 3 267.332 2.294 20 30 CEEDHN CN(Cc1cccc(C#N)c1)C(C)(C)CN1CCOCC1 ZINC000412093858 529993150 /nfs/dbraw/zinc/99/31/50/529993150.db2.gz PDXAMBZWSRJGDI-UHFFFAOYSA-N 0 3 287.407 2.101 20 30 CEEDHN N#Cc1ccc(CNC2(CO)CCCCC2)c(F)c1 ZINC000053097438 362481825 /nfs/dbraw/zinc/48/18/25/362481825.db2.gz KWVLQDCRJCYDJO-UHFFFAOYSA-N 0 3 262.328 2.482 20 30 CEEDHN CC(C)CC[C@@H](N)C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000602521017 347065029 /nfs/dbraw/zinc/06/50/29/347065029.db2.gz MTEGUWWWGOHIOD-OAHLLOKOSA-N 0 3 271.364 2.164 20 30 CEEDHN COc1cccc(CCNCc2cccc(C#N)n2)c1OC ZINC000602520841 347065409 /nfs/dbraw/zinc/06/54/09/347065409.db2.gz MQXAXLOFZUYESE-UHFFFAOYSA-N 0 3 297.358 2.303 20 30 CEEDHN CC[C@@H]1CCCCN1CC(=O)N(CC)C[C@H](C)C#N ZINC000255441294 344646118 /nfs/dbraw/zinc/64/61/18/344646118.db2.gz VASFMSRUSNOZJZ-ZIAGYGMSSA-N 0 3 265.401 2.259 20 30 CEEDHN C[C@H]1CN(CCN(C)Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000313834114 344743493 /nfs/dbraw/zinc/74/34/93/344743493.db2.gz MCGTUOMEXZNZBL-GJZGRUSLSA-N 0 3 287.407 2.099 20 30 CEEDHN CC1(C)CCC(C)(C)N(C(=O)[C@H](N)CCCC#N)C1 ZINC000602530087 347067461 /nfs/dbraw/zinc/06/74/61/347067461.db2.gz VDHHIYGZVGUFNK-GFCCVEGCSA-N 0 3 265.401 2.435 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000340643929 344769358 /nfs/dbraw/zinc/76/93/58/344769358.db2.gz XQLMSTHXAOJNBO-HOTGVXAUSA-N 0 3 294.439 2.445 20 30 CEEDHN C=CC[C@H](C)NCc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602551458 347073277 /nfs/dbraw/zinc/07/32/77/347073277.db2.gz NPPLZKFOSMBVQG-NSHDSACASA-N 0 3 279.384 2.430 20 30 CEEDHN Cc1cc(O)cc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000602567849 347081792 /nfs/dbraw/zinc/08/17/92/347081792.db2.gz IRLDZPWNHWZZPR-CYBMUJFWSA-N 0 3 261.325 2.050 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389881878 344837154 /nfs/dbraw/zinc/83/71/54/344837154.db2.gz OSSDBSZFAZZNCS-BMFZPTHFSA-N 0 3 285.391 2.173 20 30 CEEDHN CCN1CCN(Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000399022906 344856176 /nfs/dbraw/zinc/85/61/76/344856176.db2.gz IOZZXMZXVYIVPN-CQSZACIVSA-N 0 3 257.381 2.279 20 30 CEEDHN N#Cc1ccc(CN2CCCCC[C@@H]2CO)cc1F ZINC000404117844 344878361 /nfs/dbraw/zinc/87/83/61/344878361.db2.gz GLNMAWZZMMNTJN-CQSZACIVSA-N 0 3 262.328 2.434 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000579242552 344951651 /nfs/dbraw/zinc/95/16/51/344951651.db2.gz AAPSCSRFTDVKFV-SWLSCSKDSA-N 0 3 265.401 2.115 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc2nc(C)cc(C)n12 ZINC000584760959 344983303 /nfs/dbraw/zinc/98/33/03/344983303.db2.gz YGCHPNCOXHCOPO-CABCVRRESA-N 0 3 286.379 2.169 20 30 CEEDHN CN(C)[C@@H]1CCCN(C(=O)CCCCCC#N)C1 ZINC000588342369 345046460 /nfs/dbraw/zinc/04/64/60/345046460.db2.gz QKBCFLYOFJHDBE-CYBMUJFWSA-N 0 3 251.374 2.013 20 30 CEEDHN CN(C)[C@H]1CCCN(C(=O)CCCCCC#N)C1 ZINC000588342370 345046693 /nfs/dbraw/zinc/04/66/93/345046693.db2.gz QKBCFLYOFJHDBE-ZDUSSCGKSA-N 0 3 251.374 2.013 20 30 CEEDHN CCCN(CCN(C)C)C(=O)CCCCCC#N ZINC000588652696 345049111 /nfs/dbraw/zinc/04/91/11/345049111.db2.gz QUZINLRZKQVLTM-UHFFFAOYSA-N 0 3 253.390 2.261 20 30 CEEDHN N#CC1(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000590133363 345116310 /nfs/dbraw/zinc/11/63/10/345116310.db2.gz RTSIVOCTMCSHNC-HNNXBMFYSA-N 0 3 283.375 2.071 20 30 CEEDHN CN1C[C@H]2[C@@H](CCN2C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000590046652 345111691 /nfs/dbraw/zinc/11/16/91/345111691.db2.gz MBCBLXGSXRYNOR-IKGGRYGDSA-N 0 3 297.402 2.236 20 30 CEEDHN CN1CC[C@@H](NC(=O)CC2(C#N)CC2)[C@@H]1c1ccccc1 ZINC000590318162 345127373 /nfs/dbraw/zinc/12/73/73/345127373.db2.gz VVSVQUUZUMVLRZ-ZBFHGGJFSA-N 0 3 283.375 2.242 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC1(C#N)CC1 ZINC000590327450 345129347 /nfs/dbraw/zinc/12/93/47/345129347.db2.gz JOGDGJFPHUAARE-GDBMZVCRSA-N 0 3 297.402 2.317 20 30 CEEDHN N#Cc1ccc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)s1 ZINC000590381812 345132233 /nfs/dbraw/zinc/13/22/33/345132233.db2.gz ITKMUWZSEACZRT-GJZGRUSLSA-N 0 3 292.404 2.029 20 30 CEEDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1cc(C#N)cs1 ZINC000590657815 345156261 /nfs/dbraw/zinc/15/62/61/345156261.db2.gz NWYRSZIZQWHCIJ-NEPJUHHUSA-N 0 3 264.350 2.051 20 30 CEEDHN CCOc1ccc([C@H](C)NC(=O)[C@H](N)CCCC#N)cc1 ZINC000591593220 345267408 /nfs/dbraw/zinc/26/74/08/345267408.db2.gz UXYPTPQWIPOAMH-SWLSCSKDSA-N 0 3 289.379 2.284 20 30 CEEDHN Cc1ccc2c(CCNC(=O)[C@@H](N)CCCC#N)c[nH]c2c1 ZINC000591604638 345269005 /nfs/dbraw/zinc/26/90/05/345269005.db2.gz LVXMEIJYFWRZPX-HNNXBMFYSA-N 0 3 298.390 2.156 20 30 CEEDHN CC[C@H](C)C[C@H](CO)NCc1ccc(C#N)c(OC)c1 ZINC000592375599 345347334 /nfs/dbraw/zinc/34/73/34/345347334.db2.gz WBBOFDSUKQQJLF-SWLSCSKDSA-N 0 3 276.380 2.454 20 30 CEEDHN C=CCN1CCC(NC(=O)NCc2ccoc2C)CC1 ZINC000592501640 345361678 /nfs/dbraw/zinc/36/16/78/345361678.db2.gz GEMDBJYBMHOKMQ-UHFFFAOYSA-N 0 3 277.368 2.038 20 30 CEEDHN N#CC[C@]1(O)CCN(Cc2cccc3cnccc32)C1 ZINC000592521961 345365291 /nfs/dbraw/zinc/36/52/91/345365291.db2.gz FPFUGJGALOUPMG-INIZCTEOSA-N 0 3 267.332 2.085 20 30 CEEDHN Cc1cc(CN2CC[C@](O)(CC#N)C2)cc2cccnc12 ZINC000592521791 345365545 /nfs/dbraw/zinc/36/55/45/345365545.db2.gz CBPZCTCMSKDVAQ-QGZVFWFLSA-N 0 3 281.359 2.394 20 30 CEEDHN N#CCCC1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000592568135 345370142 /nfs/dbraw/zinc/37/01/42/345370142.db2.gz LZNMAVHPHRAXOF-INIZCTEOSA-N 0 3 285.391 2.271 20 30 CEEDHN N#Cc1cc(CN2CCC[C@@H]2[C@@H]2CCCOC2)ccn1 ZINC000592134988 345327599 /nfs/dbraw/zinc/32/75/99/345327599.db2.gz YMNBXCUURKFARA-GDBMZVCRSA-N 0 3 271.364 2.344 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCc2ccccc2[C@H](C)C1 ZINC000593095237 345437221 /nfs/dbraw/zinc/43/72/21/345437221.db2.gz MAYTZCTXFZOPGA-HUUCEWRRSA-N 0 3 299.418 2.409 20 30 CEEDHN CCC(C#N)C(=O)NC1(C(=O)OC)CCC(CC)CC1 ZINC000593508941 345501074 /nfs/dbraw/zinc/50/10/74/345501074.db2.gz KESNYUOXVWLFIH-MQYJIDSJSA-N 0 3 280.368 2.164 20 30 CEEDHN CC[C@H](C#N)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000593419274 345481400 /nfs/dbraw/zinc/48/14/00/345481400.db2.gz DTYHUNOYYYRJOP-CYBMUJFWSA-N 0 3 291.370 2.266 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](CC(=O)OC)c1ccc(F)cc1 ZINC000593420203 345481554 /nfs/dbraw/zinc/48/15/54/345481554.db2.gz YGADHTSFEPRTQE-ZWNOBZJWSA-N 0 3 292.310 2.096 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000593419935 345481892 /nfs/dbraw/zinc/48/18/92/345481892.db2.gz WUYGBCLRYNVTBS-SQWLQELKSA-N 0 3 285.391 2.488 20 30 CEEDHN C[C@H]1CN(C(=O)[C@H](N)CCCC#N)CCc2ccccc21 ZINC000593916751 345551590 /nfs/dbraw/zinc/55/15/90/345551590.db2.gz QSYJDAFWLZOCIH-XJKSGUPXSA-N 0 3 285.391 2.196 20 30 CEEDHN COC[C@H]1CCCCN(Cc2ccc(C#N)cn2)C1 ZINC000593974465 345558859 /nfs/dbraw/zinc/55/88/59/345558859.db2.gz ZUFPASBIWCXRCV-AWEZNQCLSA-N 0 3 259.353 2.202 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)CCCCC#N)CCN1C ZINC000593984390 345560590 /nfs/dbraw/zinc/56/05/90/345560590.db2.gz WIAMRQNEDZOUSC-OLZOCXBDSA-N 0 3 251.374 2.011 20 30 CEEDHN C[C@H]1CC2(CN1Cc1ccc(C#N)cn1)CCOCC2 ZINC000594015750 345566818 /nfs/dbraw/zinc/56/68/18/345566818.db2.gz PYOVAYIPFSBHBD-ZDUSSCGKSA-N 0 3 271.364 2.344 20 30 CEEDHN CC[C@H](C#N)C(=O)Nc1ccccc1CCN(C)C ZINC000593639039 345515985 /nfs/dbraw/zinc/51/59/85/345515985.db2.gz NSZNHIMBYIUBFT-GFCCVEGCSA-N 0 3 259.353 2.279 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594197797 345596631 /nfs/dbraw/zinc/59/66/31/345596631.db2.gz PVAWAEFUGFRJKU-GJZGRUSLSA-N 0 3 287.363 2.206 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000594285773 345608256 /nfs/dbraw/zinc/60/82/56/345608256.db2.gz CWDASOSLMZVIQF-PBHICJAKSA-N 0 3 299.418 2.195 20 30 CEEDHN CCCN(C(=O)CCCCC#N)[C@H]1CCN(C)C1 ZINC000594374473 345618704 /nfs/dbraw/zinc/61/87/04/345618704.db2.gz RVYPSGIJFDVJRO-ZDUSSCGKSA-N 0 3 251.374 2.013 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](CC(=O)OC(C)C)C(C)C ZINC000594401515 345621340 /nfs/dbraw/zinc/62/13/40/345621340.db2.gz DTWGFXSKUJXHNN-RYUDHWBXSA-N 0 3 268.357 2.019 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594407923 345622757 /nfs/dbraw/zinc/62/27/57/345622757.db2.gz RMVBTCFQRXSSOT-BETUJISGSA-N 0 3 283.375 2.273 20 30 CEEDHN CN(Cc1cccc(F)c1)C(=O)[C@H](N)CCCCC#N ZINC000594425315 345625819 /nfs/dbraw/zinc/62/58/19/345625819.db2.gz HJWDFZSDHBNOLQ-CQSZACIVSA-N 0 3 277.343 2.195 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000594427441 345626379 /nfs/dbraw/zinc/62/63/79/345626379.db2.gz UPESUMIGOAZRMJ-UZZMVUAXSA-N 0 3 289.423 2.483 20 30 CEEDHN CCOc1ccccc1CNC(=O)[C@H](N)CCCCC#N ZINC000594427158 345626390 /nfs/dbraw/zinc/62/63/90/345626390.db2.gz GKCKEHDLFJPNDC-CQSZACIVSA-N 0 3 289.379 2.113 20 30 CEEDHN Cc1ccc(CCNC(=O)[C@@H](N)CCCCC#N)c(C)c1 ZINC000594428424 345627078 /nfs/dbraw/zinc/62/70/78/345627078.db2.gz LKAIPGFSIVVOBZ-INIZCTEOSA-N 0 3 287.407 2.373 20 30 CEEDHN CC(C)COC1CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594429974 345628121 /nfs/dbraw/zinc/62/81/21/345628121.db2.gz YLNCWGUNZWKISJ-HNNXBMFYSA-N 0 3 295.427 2.061 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cc(F)c(F)cc1F ZINC000594430233 345628240 /nfs/dbraw/zinc/62/82/40/345628240.db2.gz XJCUEOIDGCXEHN-LLVKDONJSA-N 0 3 285.269 2.454 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000594430224 345628699 /nfs/dbraw/zinc/62/86/99/345628699.db2.gz XFDINYKERGHOGL-CQSZACIVSA-N 0 3 297.362 2.426 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000594432039 345628783 /nfs/dbraw/zinc/62/87/83/345628783.db2.gz VXFPUZYQWXNHIK-IHRRRGAJSA-N 0 3 263.385 2.189 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000594431373 345628842 /nfs/dbraw/zinc/62/88/42/345628842.db2.gz LFQNLNMWNBUYHC-WUPYBSFASA-N 0 3 289.423 2.435 20 30 CEEDHN COc1cc(C)ccc1CNC(=O)[C@@H](N)CCCCC#N ZINC000594433991 345629084 /nfs/dbraw/zinc/62/90/84/345629084.db2.gz WBDGEFZKMIBQTH-AWEZNQCLSA-N 0 3 289.379 2.031 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000594433104 345629164 /nfs/dbraw/zinc/62/91/64/345629164.db2.gz LRMOWGJMZYWLTK-QLFBSQMISA-N 0 3 277.412 2.483 20 30 CEEDHN CC(C)(C)[C@@H](NC(=O)[C@H](N)CCCCC#N)C(F)(F)F ZINC000594433630 345629296 /nfs/dbraw/zinc/62/92/96/345629296.db2.gz PWOLAMMQHASGNL-MWLCHTKSSA-N 0 3 293.333 2.491 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCc2ccccc2CC1 ZINC000594434304 345629301 /nfs/dbraw/zinc/62/93/01/345629301.db2.gz MWWIZZZRCCDXKP-MRXNPFEDSA-N 0 3 285.391 2.025 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000594434540 345629780 /nfs/dbraw/zinc/62/97/80/345629780.db2.gz OGLDDATYPZMQKK-LSDHHAIUSA-N 0 3 289.354 2.340 20 30 CEEDHN CCN(C(=O)[C@@H](N)CCCCC#N)[C@H](C)c1cccnc1 ZINC000594438898 345630533 /nfs/dbraw/zinc/63/05/33/345630533.db2.gz XXJZFPLBNLTEMO-HIFRSBDPSA-N 0 3 288.395 2.402 20 30 CEEDHN Cc1cccc(NC(=O)[C@H](N)CCCCC#N)c1O ZINC000594438109 345630548 /nfs/dbraw/zinc/63/05/48/345630548.db2.gz GRAGJIHIORZUAA-LLVKDONJSA-N 0 3 261.325 2.050 20 30 CEEDHN CSc1ccc(NC(=O)[C@H](N)CCCCC#N)nc1 ZINC000594442040 345631409 /nfs/dbraw/zinc/63/14/09/345631409.db2.gz ZXVJGKGSAVIUTO-LLVKDONJSA-N 0 3 278.381 2.153 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000594438981 345631475 /nfs/dbraw/zinc/63/14/75/345631475.db2.gz RWGPQUHYDVIBJT-AWEZNQCLSA-N 0 3 297.362 2.426 20 30 CEEDHN C[C@@H]1CCCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594443554 345632242 /nfs/dbraw/zinc/63/22/42/345632242.db2.gz RKXPAVWQPMOKRL-CHWSQXEVSA-N 0 3 251.374 2.046 20 30 CEEDHN CC(C)[C@H]1CCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594445066 345632671 /nfs/dbraw/zinc/63/26/71/345632671.db2.gz OQPGHROEGFKHIF-UONOGXRCSA-N 0 3 265.401 2.435 20 30 CEEDHN C[C@@H](C[S@](C)=O)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594502125 345638885 /nfs/dbraw/zinc/63/88/85/345638885.db2.gz XIDGXJDROZREPS-BUXKBTBVSA-N 0 3 278.421 2.344 20 30 CEEDHN COC[C@H](CNCc1ccc(C(C)(C)C#N)cc1)OC ZINC000594501414 345638903 /nfs/dbraw/zinc/63/89/03/345638903.db2.gz VOWQBXRSMFOPEB-HNNXBMFYSA-N 0 3 276.380 2.239 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCc1cc2ccccc2[nH]1 ZINC000594454860 345634947 /nfs/dbraw/zinc/63/49/47/345634947.db2.gz VFSCJTHIMBTLKK-OAHLLOKOSA-N 0 3 298.390 2.238 20 30 CEEDHN CC(C)N(CC1CCC1)C(=O)[C@@H](N)CCCCC#N ZINC000594455742 345635039 /nfs/dbraw/zinc/63/50/39/345635039.db2.gz CIRQJHAJRITLDV-AWEZNQCLSA-N 0 3 265.401 2.435 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCc1cc2ccccc2[nH]1 ZINC000594454859 345635102 /nfs/dbraw/zinc/63/51/02/345635102.db2.gz VFSCJTHIMBTLKK-HNNXBMFYSA-N 0 3 298.390 2.238 20 30 CEEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cn1 ZINC000594455881 345635644 /nfs/dbraw/zinc/63/56/44/345635644.db2.gz DHXDPRBIWCFDQI-JQWIXIFHSA-N 0 3 294.786 2.323 20 30 CEEDHN N#Cc1cccc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)n1 ZINC000594130892 345589211 /nfs/dbraw/zinc/58/92/11/345589211.db2.gz LWDYUOVWRFPMSD-ZIAGYGMSSA-N 0 3 299.378 2.092 20 30 CEEDHN CCC(C)(C)N1CCN(Cc2ccc(C#N)o2)CC1 ZINC000594612856 345661859 /nfs/dbraw/zinc/66/18/59/345661859.db2.gz NKPPOLIEIMXSHK-UHFFFAOYSA-N 0 3 261.369 2.457 20 30 CEEDHN N#CCCCCC(=O)N1CCNC2(CCCCC2)C1 ZINC000594629055 345664421 /nfs/dbraw/zinc/66/44/21/345664421.db2.gz ZUUKNBPFNMIKNR-UHFFFAOYSA-N 0 3 263.385 2.205 20 30 CEEDHN CC[C@@H](NCc1ccc(C(C)(C)C#N)cc1)C(=O)NC ZINC000594508704 345640114 /nfs/dbraw/zinc/64/01/14/345640114.db2.gz UTGRWKPKMXYOCQ-CQSZACIVSA-N 0 3 273.380 2.102 20 30 CEEDHN N#Cc1csc(CN[C@H]2CCCN3CCCC[C@@H]23)n1 ZINC000594523304 345643987 /nfs/dbraw/zinc/64/39/87/345643987.db2.gz PLANOUNNHBGNFG-STQMWFEESA-N 0 3 276.409 2.121 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCc2ccccc21 ZINC000595256849 345749772 /nfs/dbraw/zinc/74/97/72/345749772.db2.gz VGJBMLNFNIIAIC-LSDHHAIUSA-N 0 3 271.364 2.201 20 30 CEEDHN C[C@H](CNC(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000595258854 345750333 /nfs/dbraw/zinc/75/03/33/345750333.db2.gz FALMJNABSLVFPL-TZMCWYRMSA-N 0 3 265.401 2.340 20 30 CEEDHN N#CC1(CNC(=O)[C@@H](CN)c2ccccc2)CCCCC1 ZINC000595257913 345750342 /nfs/dbraw/zinc/75/03/42/345750342.db2.gz CNAJSSRCVFQHPA-HNNXBMFYSA-N 0 3 285.391 2.319 20 30 CEEDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000594915673 345700729 /nfs/dbraw/zinc/70/07/29/345700729.db2.gz VXDAFKDJNCKORG-BAESOJJISA-N 0 3 272.348 2.406 20 30 CEEDHN CCC(=O)N1CC[C@@H](NCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594931888 345707693 /nfs/dbraw/zinc/70/76/93/345707693.db2.gz UAZBLDIPYAXKRM-MRXNPFEDSA-N 0 3 297.402 2.342 20 30 CEEDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000594940156 345710997 /nfs/dbraw/zinc/71/09/97/345710997.db2.gz IPDMVBVGWZDLPM-ZWKOPEQDSA-N 0 3 292.766 2.499 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](CO)CC2CC2)cc1F ZINC000594982835 345721517 /nfs/dbraw/zinc/72/15/17/345721517.db2.gz IROZNIIEJQBHEZ-ZDUSSCGKSA-N 0 3 262.328 2.196 20 30 CEEDHN N#Cc1ccc(CN[C@H]2C[C@H](O)C2)c(C(F)(F)F)c1 ZINC000595000621 345723840 /nfs/dbraw/zinc/72/38/40/345723840.db2.gz IMRPKJDOPBKLHP-XYPYZODXSA-N 0 3 270.254 2.190 20 30 CEEDHN CC(=O)NCc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000595059996 345736535 /nfs/dbraw/zinc/73/65/35/345736535.db2.gz JXSBXBWFUCETFF-HOTGVXAUSA-N 0 3 271.364 2.105 20 30 CEEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1F)[C@H]1CCOC1 ZINC000595060624 345737459 /nfs/dbraw/zinc/73/74/59/345737459.db2.gz MZJLPEQLOHLSIQ-PVXIVEMSSA-N 0 3 292.354 2.399 20 30 CEEDHN CC(=O)NCc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000595060264 345737551 /nfs/dbraw/zinc/73/75/51/345737551.db2.gz LVVLTXWEFVTZCL-IAGOWNOFSA-N 0 3 285.391 2.495 20 30 CEEDHN CC1CCN(CCNC(=O)N2CCC[C@H](CC#N)C2)CC1 ZINC000595454506 345787097 /nfs/dbraw/zinc/78/70/97/345787097.db2.gz LPJZWTGYERPKDI-OAHLLOKOSA-N 0 3 292.427 2.054 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000595662295 345841533 /nfs/dbraw/zinc/84/15/33/345841533.db2.gz HNAGTTHHTSQTKO-CJNGLKHVSA-N 0 3 292.427 2.194 20 30 CEEDHN C=CC[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595659993 345841615 /nfs/dbraw/zinc/84/16/15/345841615.db2.gz PMODGDXFVYWJFT-ZDUSSCGKSA-N 0 3 291.351 2.045 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)C1 ZINC000595607829 345825694 /nfs/dbraw/zinc/82/56/94/345825694.db2.gz YQWPMBMPRLYPCV-YMAMQOFZSA-N 0 3 292.427 2.100 20 30 CEEDHN Cc1ccccc1OC[C@@H](O)CN1CCC[C@@H](CC#N)C1 ZINC000595609504 345826085 /nfs/dbraw/zinc/82/60/85/345826085.db2.gz LHELJHZAQNYVRP-HOTGVXAUSA-N 0 3 288.391 2.360 20 30 CEEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000595659154 345839765 /nfs/dbraw/zinc/83/97/65/345839765.db2.gz LGLNZAZCDFAKPX-KGLIPLIRSA-N 0 3 295.427 2.145 20 30 CEEDHN COc1ccc(CN2CC[C@@H]3COC[C@@H]3C2)cc1C#N ZINC000595829842 345887991 /nfs/dbraw/zinc/88/79/91/345887991.db2.gz IUFHWOYFUOXOJF-HIFRSBDPSA-N 0 3 272.348 2.035 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN1CCC[C@H](C2CCC2)C1)C1CC1 ZINC000595832057 345889748 /nfs/dbraw/zinc/88/97/48/345889748.db2.gz HEAITOFZIBYQHL-YOEHRIQHSA-N 0 3 289.423 2.307 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@](O)(C3CC3)C2)cc1F ZINC000595752216 345866542 /nfs/dbraw/zinc/86/65/42/345866542.db2.gz TZJNBQNUNAXNOM-INIZCTEOSA-N 0 3 274.339 2.434 20 30 CEEDHN Cc1cc(CN2C[C@H]3COC[C@@]3(C)C2)ccc1C#N ZINC000595760119 345869408 /nfs/dbraw/zinc/86/94/08/345869408.db2.gz SCMNVURPUVWSFO-JKSUJKDBSA-N 0 3 256.349 2.335 20 30 CEEDHN C=CCN(CC(=O)N(CC)CCC#N)C(C)(C)C ZINC000595764029 345870218 /nfs/dbraw/zinc/87/02/18/345870218.db2.gz VVDMMSGPLAIQQQ-UHFFFAOYSA-N 0 3 251.374 2.035 20 30 CEEDHN CC(C)NC(=O)[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000595851825 345898749 /nfs/dbraw/zinc/89/87/49/345898749.db2.gz VAALXMKJYSSVGL-INIZCTEOSA-N 0 3 285.391 2.295 20 30 CEEDHN CCc1ccc([C@H](CNc2cc(C#N)cnn2)N(C)C)cc1 ZINC000596056097 345929634 /nfs/dbraw/zinc/92/96/34/345929634.db2.gz XXRUUDILVBELSD-INIZCTEOSA-N 0 3 295.390 2.047 20 30 CEEDHN Cc1cc(CN2C[C@@H](C)[C@](C)(CO)C2)ccc1C#N ZINC000595861358 345900394 /nfs/dbraw/zinc/90/03/94/345900394.db2.gz UGHRPNWXZTZXPG-CJNGLKHVSA-N 0 3 258.365 2.317 20 30 CEEDHN C#CCN(C)CCCN[C@H](C)c1sccc1OC ZINC000295014116 539497979 /nfs/dbraw/zinc/49/79/79/539497979.db2.gz MYKAMGRKLHTKCE-GFCCVEGCSA-N 0 3 266.410 2.362 20 30 CEEDHN C[C@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@]1(C)CO ZINC000595870011 345902500 /nfs/dbraw/zinc/90/25/00/345902500.db2.gz FLGBXQYHSPAATL-XHDPSFHLSA-N 0 3 262.328 2.148 20 30 CEEDHN C[C@]1(C#N)CCN(C(=O)[C@H](N)CC2CCCCC2)C1 ZINC000595983146 345920589 /nfs/dbraw/zinc/92/05/89/345920589.db2.gz YVLDAMXXIUUXFU-UKRRQHHQSA-N 0 3 263.385 2.046 20 30 CEEDHN COc1cccc(CNC(=O)[C@H](N)CCCCC#N)c1C ZINC000595991948 345921199 /nfs/dbraw/zinc/92/11/99/345921199.db2.gz VFDXDUNAEJWHBD-CQSZACIVSA-N 0 3 289.379 2.031 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1nc(C#N)c(Cl)s1 ZINC000596153302 345953720 /nfs/dbraw/zinc/95/37/20/345953720.db2.gz XQAWTDRBEJDVQO-SCZZXKLOSA-N 0 3 284.816 2.445 20 30 CEEDHN CN(C)CCN(Cc1ccc(F)cc1)c1cc(C#N)cnn1 ZINC000596158428 345955198 /nfs/dbraw/zinc/95/51/98/345955198.db2.gz XUTAYQMJTAMDOF-UHFFFAOYSA-N 0 3 299.353 2.056 20 30 CEEDHN CN1CC[C@@H]2CCN(c3nc4ncccc4cc3C#N)[C@@H]2C1 ZINC000596189758 345964567 /nfs/dbraw/zinc/96/45/67/345964567.db2.gz QUHMDUCAJDPPBL-IUODEOHRSA-N 0 3 293.374 2.032 20 30 CEEDHN N#Cc1cc(N[C@@H]2CCN(C3CC3)C2)c2ccccc2n1 ZINC000596087672 345936723 /nfs/dbraw/zinc/93/67/23/345936723.db2.gz JYMAYILRLAAHBS-GFCCVEGCSA-N 0 3 278.359 2.177 20 30 CEEDHN CCN(CCNc1nc2ncccc2cc1C#N)C1CC1 ZINC000596106761 345941299 /nfs/dbraw/zinc/94/12/99/345941299.db2.gz AMLPUCATDMMMLS-UHFFFAOYSA-N 0 3 281.363 2.398 20 30 CEEDHN Cc1ccc(C#N)nc1N1CC[C@@H](N2CCCCC2)C1 ZINC000596119238 345943851 /nfs/dbraw/zinc/94/38/51/345943851.db2.gz AZGUDHWDSRVNTH-OAHLLOKOSA-N 0 3 270.380 2.326 20 30 CEEDHN Cc1cc(N2CC[C@@H](N3CC=CC3)C2)cc(C#N)c1[N+](=O)[O-] ZINC000596139674 345949217 /nfs/dbraw/zinc/94/92/17/345949217.db2.gz DWJQOEFRUZLCHJ-CQSZACIVSA-N 0 3 298.346 2.225 20 30 CEEDHN CCN(C(=O)Nc1cccc(C#N)c1C)[C@@H]1CCN(C)C1 ZINC000596802578 346091678 /nfs/dbraw/zinc/09/16/78/346091678.db2.gz CCSCUPZCMGVXGB-CQSZACIVSA-N 0 3 286.379 2.425 20 30 CEEDHN C[C@H](CCC#N)N1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596597979 346062662 /nfs/dbraw/zinc/06/26/62/346062662.db2.gz HHFHYZOUYWINRE-GFCCVEGCSA-N 0 3 260.385 2.497 20 30 CEEDHN N#CC1(CC(=O)N[C@H]2CCN(CC3CC3)C2)CCCCC1 ZINC000597178700 346141833 /nfs/dbraw/zinc/14/18/33/346141833.db2.gz FDNPRRQCEMYXBV-HNNXBMFYSA-N 0 3 289.423 2.451 20 30 CEEDHN C[C@@H](CC#N)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000596974793 346111396 /nfs/dbraw/zinc/11/13/96/346111396.db2.gz XCBGTPRDSNHYQJ-ZDUSSCGKSA-N 0 3 291.370 2.266 20 30 CEEDHN C[C@@H]1C[C@H](O)CN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597109043 346128666 /nfs/dbraw/zinc/12/86/66/346128666.db2.gz YTLNXYVNXSRBDS-DOMZBBRYSA-N 0 3 256.349 2.197 20 30 CEEDHN CN(C)CC1(NC(=O)c2cc(F)c(C#N)c(F)c2)CCC1 ZINC000597612773 346207357 /nfs/dbraw/zinc/20/73/57/346207357.db2.gz DUOWIZYIXFRGNM-UHFFFAOYSA-N 0 3 293.317 2.051 20 30 CEEDHN C[C@@H](CC#N)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000597656281 346211866 /nfs/dbraw/zinc/21/18/66/346211866.db2.gz JOHYXWGGCREVBH-FZMZJTMJSA-N 0 3 277.343 2.094 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000597521655 346197891 /nfs/dbraw/zinc/19/78/91/346197891.db2.gz VAMGYRRUJSFRRN-IIAWOOMASA-N 0 3 285.391 2.173 20 30 CEEDHN CC(C)(C)N1CC[C@@H](NC(=O)C2(C#N)CCCCC2)C1 ZINC000597925435 346254217 /nfs/dbraw/zinc/25/42/17/346254217.db2.gz PMKHCTPXTUWJAE-CYBMUJFWSA-N 0 3 277.412 2.449 20 30 CEEDHN CCN(C(=O)[C@H](C)Cc1ccc(C#N)cc1)[C@@H]1CCN(C)C1 ZINC000597945667 346256024 /nfs/dbraw/zinc/25/60/24/346256024.db2.gz IZNXODJZBICBGO-RHSMWYFYSA-N 0 3 299.418 2.289 20 30 CEEDHN N#CCC1CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000598022994 346268611 /nfs/dbraw/zinc/26/86/11/346268611.db2.gz MUALALZFNMSJIJ-HNNXBMFYSA-N 0 3 267.332 2.131 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000598116586 346292057 /nfs/dbraw/zinc/29/20/57/346292057.db2.gz PSQWZIUNNVAERP-RKDXNWHRSA-N 0 3 298.268 2.319 20 30 CEEDHN Cc1scc(CNC(=O)[C@H](N)CCCC#N)c1C ZINC000602586757 347089829 /nfs/dbraw/zinc/08/98/29/347089829.db2.gz UUPZAQYUHMKAKM-GFCCVEGCSA-N 0 3 265.382 2.002 20 30 CEEDHN CC(C)[C@@H](O)[C@@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000598354596 346335503 /nfs/dbraw/zinc/33/55/03/346335503.db2.gz XMLLHNILJWRRTL-KWCYVHTRSA-N 0 3 260.337 2.020 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cscc1C#N ZINC000598260745 346316157 /nfs/dbraw/zinc/31/61/57/346316157.db2.gz MOTHYCLGJZXALV-LBPRGKRZSA-N 0 3 291.420 2.470 20 30 CEEDHN COc1cccc(C2(NC(=O)C(C)C#N)CCC2)c1 ZINC000598424373 346355327 /nfs/dbraw/zinc/35/53/27/346355327.db2.gz AXFRWTLLTZTJAN-LLVKDONJSA-N 0 3 258.321 2.350 20 30 CEEDHN CN(CCNc1nc2c(cc1C#N)CCCC2)C1CC1 ZINC000062010229 362701351 /nfs/dbraw/zinc/70/13/51/362701351.db2.gz GQSILOJTXIZOHC-UHFFFAOYSA-N 0 3 270.380 2.338 20 30 CEEDHN CCN(CCOc1ccccc1OC)C(=O)C(C)C#N ZINC000598500227 346366672 /nfs/dbraw/zinc/36/66/72/346366672.db2.gz UZCVNQOXMOMCFT-LBPRGKRZSA-N 0 3 276.336 2.082 20 30 CEEDHN C[C@H](c1ccccn1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598601094 346381783 /nfs/dbraw/zinc/38/17/83/346381783.db2.gz ZDOGNSVDANDIIE-CHWSQXEVSA-N 0 3 261.369 2.375 20 30 CEEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cncc(F)c1 ZINC000598604005 346382832 /nfs/dbraw/zinc/38/28/32/346382832.db2.gz NMKPENROPUZFJD-GWCFXTLKSA-N 0 3 265.332 2.172 20 30 CEEDHN Cc1noc(C)c1[C@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC000598603522 346382931 /nfs/dbraw/zinc/38/29/31/346382931.db2.gz VDMGGVKZOBVYHE-CABZTGNLSA-N 0 3 265.357 2.243 20 30 CEEDHN Cc1n[nH]cc1C1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598612838 346383955 /nfs/dbraw/zinc/38/39/55/346383955.db2.gz BSQQJGOYXHOOGG-CQSZACIVSA-N 0 3 290.411 2.198 20 30 CEEDHN CCOc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598702314 346403691 /nfs/dbraw/zinc/40/36/91/346403691.db2.gz SHLKTSABBYVNAJ-AWEZNQCLSA-N 0 3 276.380 2.476 20 30 CEEDHN COc1cc(CNC[C@@H](O)CC(C)(C)C#N)ccc1C ZINC000598701410 346403865 /nfs/dbraw/zinc/40/38/65/346403865.db2.gz UVAUIPPHQAKZQN-AWEZNQCLSA-N 0 3 276.380 2.394 20 30 CEEDHN Cc1ccc2[nH]c(CNC[C@H](O)CC(C)(C)C#N)nc2c1 ZINC000598721042 346408210 /nfs/dbraw/zinc/40/82/10/346408210.db2.gz SJEWCAJJFGNPAS-GFCCVEGCSA-N 0 3 286.379 2.262 20 30 CEEDHN Cc1ccc2nc(CNC[C@H](O)CC(C)(C)C#N)[nH]c2c1 ZINC000598721042 346408214 /nfs/dbraw/zinc/40/82/14/346408214.db2.gz SJEWCAJJFGNPAS-GFCCVEGCSA-N 0 3 286.379 2.262 20 30 CEEDHN COc1ccc(CNC[C@@H](O)CC(C)(C)C#N)c(F)c1 ZINC000598723318 346408838 /nfs/dbraw/zinc/40/88/38/346408838.db2.gz GHGXEIOIDRECRC-LBPRGKRZSA-N 0 3 280.343 2.225 20 30 CEEDHN Cc1c(Cl)cnc(N2CCC[C@@H]2CN(C)C)c1C#N ZINC000273296670 192102690 /nfs/dbraw/zinc/10/26/90/192102690.db2.gz GIPXGEMMMCHNCR-LLVKDONJSA-N 0 3 278.787 2.446 20 30 CEEDHN C[C@H](O)[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1F ZINC000598729840 346411064 /nfs/dbraw/zinc/41/10/64/346411064.db2.gz NSHJFAWUAUIIES-HUBLWGQQSA-N 0 3 294.370 2.138 20 30 CEEDHN C[C@H](CC#N)C(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000598843442 346426955 /nfs/dbraw/zinc/42/69/55/346426955.db2.gz LXWRASUZTYDKQB-HIFRSBDPSA-N 0 3 285.391 2.446 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H](O)[C@H]1CCCO1 ZINC000599066039 346454685 /nfs/dbraw/zinc/45/46/85/346454685.db2.gz OARJUWBTGUOFSD-GVDBMIGSSA-N 0 3 286.375 2.065 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)C1 ZINC000599077936 346456686 /nfs/dbraw/zinc/45/66/86/346456686.db2.gz BCYGPBMCKAHBIG-UJDVCPFMSA-N 0 3 287.363 2.289 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)C1 ZINC000599077935 346456888 /nfs/dbraw/zinc/45/68/88/346456888.db2.gz BCYGPBMCKAHBIG-MEWXFMAXSA-N 0 3 287.363 2.289 20 30 CEEDHN COc1cccc([C@@H](C)NC[C@H](O)CC2(C#N)CC2)c1 ZINC000599346734 346503191 /nfs/dbraw/zinc/50/31/91/346503191.db2.gz DGRSAQGSHGCRNL-TZMCWYRMSA-N 0 3 274.364 2.401 20 30 CEEDHN COC[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccccc1 ZINC000599348148 346503615 /nfs/dbraw/zinc/50/36/15/346503615.db2.gz CSWAJJYRDSFXFW-HUUCEWRRSA-N 0 3 274.364 2.018 20 30 CEEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1cccc(C#N)c1 ZINC000599348599 346504329 /nfs/dbraw/zinc/50/43/29/346504329.db2.gz HQAFYTFQVKHMGT-SWLSCSKDSA-N 0 3 269.348 2.264 20 30 CEEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1cccc(O)c1 ZINC000599349687 346504334 /nfs/dbraw/zinc/50/43/34/346504334.db2.gz QHIWKJZXIMWQIZ-BXUZGUMPSA-N 0 3 260.337 2.098 20 30 CEEDHN C[C@]1(NCc2cccc(C#N)n2)CCO[C@H]1C1CC1 ZINC000602607176 347098068 /nfs/dbraw/zinc/09/80/68/347098068.db2.gz HUOKUBFJUFVSRN-GJZGRUSLSA-N 0 3 257.337 2.000 20 30 CEEDHN CC(C)n1cc([C@H](C)NC[C@@H](O)CC2(C#N)CC2)cn1 ZINC000599361389 346507061 /nfs/dbraw/zinc/50/70/61/346507061.db2.gz DPWXRTUZJPGVEY-JSGCOSHPSA-N 0 3 276.384 2.169 20 30 CEEDHN Cc1ccc(CN(C)CCN(C)C2CC2)cc1C#N ZINC000599372873 346509336 /nfs/dbraw/zinc/50/93/36/346509336.db2.gz OEYAEWZDOVZMAB-UHFFFAOYSA-N 0 3 257.381 2.393 20 30 CEEDHN Cc1ccc(CN2C[C@H](CO)C[C@H](C)C2)cc1C#N ZINC000599440036 346521455 /nfs/dbraw/zinc/52/14/55/346521455.db2.gz CWYAHWXDXLMHHW-SWLSCSKDSA-N 0 3 258.365 2.317 20 30 CEEDHN COC(=O)[C@H](C)CN(C)Cc1ccc(C)c(C#N)c1 ZINC000599265660 346487328 /nfs/dbraw/zinc/48/73/28/346487328.db2.gz SEUWTHURQDYNQL-GFCCVEGCSA-N 0 3 260.337 2.108 20 30 CEEDHN Cc1ccc(CN2CCCC[C@@H]2CC(N)=O)cc1C#N ZINC000599284230 346490744 /nfs/dbraw/zinc/49/07/44/346490744.db2.gz OPUQOLFPMYWKDI-OAHLLOKOSA-N 0 3 271.364 2.097 20 30 CEEDHN Cc1ccc(CN2CCC(CCO)CC2)cc1C#N ZINC000599294589 346492223 /nfs/dbraw/zinc/49/22/23/346492223.db2.gz FAKNILBMKKNDBY-UHFFFAOYSA-N 0 3 258.365 2.461 20 30 CEEDHN COCCOC[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599304370 346495050 /nfs/dbraw/zinc/49/50/50/346495050.db2.gz RGMGUWJUTSXFSZ-MRXNPFEDSA-N 0 3 288.391 2.352 20 30 CEEDHN N#Cc1ccc(CCN2CCN(CCCF)CC2)cc1 ZINC000599666848 346558579 /nfs/dbraw/zinc/55/85/79/346558579.db2.gz DMGAYUAWTXVEIV-UHFFFAOYSA-N 0 3 275.371 2.078 20 30 CEEDHN Cc1cc(CN2CC[C@@H](CO)C[C@H]2C)ccc1C#N ZINC000599674813 346561232 /nfs/dbraw/zinc/56/12/32/346561232.db2.gz JLOJJEOQHRIRHW-UKRRQHHQSA-N 0 3 258.365 2.460 20 30 CEEDHN Cc1ccc(CN2CC[C@@H]3COC[C@H]3C2)cc1C#N ZINC000599475201 346525701 /nfs/dbraw/zinc/52/57/01/346525701.db2.gz JBWXWMMVUQOLFD-GDBMZVCRSA-N 0 3 256.349 2.335 20 30 CEEDHN C[C@@H]1CN(CCOCCC#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599582806 346542280 /nfs/dbraw/zinc/54/22/80/346542280.db2.gz PDSKAWGIMWZYRA-KGLIPLIRSA-N 0 3 296.411 2.216 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](C/C=C\C)C1 ZINC000599693254 346569498 /nfs/dbraw/zinc/56/94/98/346569498.db2.gz YQFTVMSKUIJKBH-WFVZMWEJSA-N 0 3 293.411 2.065 20 30 CEEDHN CCC(C#N)C(=O)N1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000600137516 346603760 /nfs/dbraw/zinc/60/37/60/346603760.db2.gz CFHNNRGKVHMWST-NHYWBVRUSA-N 0 3 280.368 2.259 20 30 CEEDHN CC(=O)NC[C@H]1CCCCN1Cc1ccc(C#N)cc1C ZINC000599688561 346566311 /nfs/dbraw/zinc/56/63/11/346566311.db2.gz FCCBPKOZKSVLIE-QGZVFWFLSA-N 0 3 285.391 2.357 20 30 CEEDHN CC[C@H](C#N)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600228534 346628078 /nfs/dbraw/zinc/62/80/78/346628078.db2.gz DNTRMTFSHZKSOK-TZMCWYRMSA-N 0 3 263.385 2.059 20 30 CEEDHN N#CC1(C[C@H](O)CNCc2ccccc2Cl)CC1 ZINC000600715501 346676765 /nfs/dbraw/zinc/67/67/65/346676765.db2.gz ZDQUAYHPNUWHCK-LBPRGKRZSA-N 0 3 264.756 2.484 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000600736194 346681504 /nfs/dbraw/zinc/68/15/04/346681504.db2.gz QUILBPMPKLFFEI-MISXGVKJSA-N 0 3 292.329 2.465 20 30 CEEDHN C[C@@H]1Oc2ccccc2[C@H]1NC[C@@H](O)CC1(C#N)CC1 ZINC000600741014 346682573 /nfs/dbraw/zinc/68/25/73/346682573.db2.gz METHLSQINUMEAZ-HUBLWGQQSA-N 0 3 272.348 2.153 20 30 CEEDHN COc1ccccc1[C@@H]1CNCCN1Cc1ccc(C#N)o1 ZINC000600770114 346686964 /nfs/dbraw/zinc/68/69/64/346686964.db2.gz VBVMLPBKKZKASY-INIZCTEOSA-N 0 3 297.358 2.306 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)c2cc(C#N)nc(C3CC3)n2)CCN1C ZINC000601118856 346758672 /nfs/dbraw/zinc/75/86/72/346758672.db2.gz IRXFILMCMRUWHG-RISCZKNCSA-N 0 3 285.395 2.145 20 30 CEEDHN N#CCCCOc1cccc(CNCC[C@@H](O)C(F)F)c1 ZINC000601147857 346769182 /nfs/dbraw/zinc/76/91/82/346769182.db2.gz YGMUBTDIVBKHJY-CQSZACIVSA-N 0 3 298.333 2.475 20 30 CEEDHN C=CCOc1ccccc1CNCC[C@H](C)[S@](C)=O ZINC000129381512 365852632 /nfs/dbraw/zinc/85/26/32/365852632.db2.gz ZELMYKOOLQZANB-ORAYPTAESA-N 0 3 281.421 2.498 20 30 CEEDHN C[C@@H](CNC(=O)C1(C#N)CC2(CC2)C1)N1CCC(C)CC1 ZINC000601020498 346733179 /nfs/dbraw/zinc/73/31/79/346733179.db2.gz ROQXDYVTYBWSFM-AWEZNQCLSA-N 0 3 289.423 2.307 20 30 CEEDHN C[C@@H](CCC#N)CN1CCN(c2cccc(C#N)n2)CC1 ZINC000602616567 347104829 /nfs/dbraw/zinc/10/48/29/347104829.db2.gz LWUOFDUKEBRAFZ-AWEZNQCLSA-N 0 3 283.379 2.015 20 30 CEEDHN C[C@H](C(=O)NC(C)(C)C)N(C)C[C@@H](C)CCC#N ZINC000602622446 347107592 /nfs/dbraw/zinc/10/75/92/347107592.db2.gz IGAWMCPLSCQIDV-NWDGAFQWSA-N 0 3 253.390 2.161 20 30 CEEDHN C#CCCOc1ccc(CN2CCC[C@](C)(O)C2)cc1 ZINC000129513039 365865539 /nfs/dbraw/zinc/86/55/39/365865539.db2.gz JJIYLLDYDCPHNN-KRWDZBQOSA-N 0 3 273.376 2.436 20 30 CEEDHN C[C@H](CCC#N)CN1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000602643890 347120005 /nfs/dbraw/zinc/12/00/05/347120005.db2.gz OCIBIIKLPNLPJK-QPSCCSFWSA-N 0 3 266.385 2.195 20 30 CEEDHN C[C@H](CCC#N)CN1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000602675618 347136817 /nfs/dbraw/zinc/13/68/17/347136817.db2.gz MYNRPFMCBRXJSX-WBVHZDCISA-N 0 3 299.418 2.359 20 30 CEEDHN CO[C@@H](CNCc1cccc(C#N)n1)Cc1ccccc1 ZINC000602674422 347137064 /nfs/dbraw/zinc/13/70/64/347137064.db2.gz QCJADSUBKRQMGF-QGZVFWFLSA-N 0 3 281.359 2.301 20 30 CEEDHN CN(Cc1cccc(C#N)n1)[C@@H](CO)CC(C)(C)C ZINC000602681557 347142055 /nfs/dbraw/zinc/14/20/55/347142055.db2.gz CBRCCEQCOBHBDQ-CQSZACIVSA-N 0 3 261.369 2.182 20 30 CEEDHN CC(C)[C@H](CO)[C@@H](NCc1cccc(C#N)n1)C(C)C ZINC000602684670 347144383 /nfs/dbraw/zinc/14/43/83/347144383.db2.gz IKZYITPUUZYJOU-HOTGVXAUSA-N 0 3 275.396 2.332 20 30 CEEDHN C[C@@H](CCC#N)CN1CCO[C@]2(CCSC2)C1 ZINC000602698590 347154807 /nfs/dbraw/zinc/15/48/07/347154807.db2.gz DAVWBJXGLMEHFO-QWHCGFSZSA-N 0 3 254.399 2.134 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@H]2[C@@H]2CCCOC2)n1 ZINC000602703358 347158409 /nfs/dbraw/zinc/15/84/09/347158409.db2.gz ZRLSAPOEWUEAPV-CJNGLKHVSA-N 0 3 271.364 2.344 20 30 CEEDHN CCOC(=O)c1cc(CNCCc2ccc(C#N)cc2)on1 ZINC000602705401 347159941 /nfs/dbraw/zinc/15/99/41/347159941.db2.gz LNMJZEAPIXCCDP-UHFFFAOYSA-N 0 3 299.330 2.055 20 30 CEEDHN C[C@H](CCC#N)CN(CCN(C)C)Cc1ccccn1 ZINC000602656760 347126564 /nfs/dbraw/zinc/12/65/64/347126564.db2.gz MTMHFMJWGXVTOU-OAHLLOKOSA-N 0 3 274.412 2.385 20 30 CEEDHN COC(=O)c1ccc(CNC2CCC(C#N)CC2)o1 ZINC000602655936 347126661 /nfs/dbraw/zinc/12/66/61/347126661.db2.gz ININYYVKTYPOQE-UHFFFAOYSA-N 0 3 262.309 2.238 20 30 CEEDHN C[C@@H](CCC#N)CN(CCCO)Cc1ccccn1 ZINC000602662363 347129489 /nfs/dbraw/zinc/12/94/89/347129489.db2.gz MKOYFTAMNUJGHF-AWEZNQCLSA-N 0 3 261.369 2.206 20 30 CEEDHN C[C@@H]1OCC[C@H]1CN1CCN(c2ccccc2C#N)CC1 ZINC000602769848 347190665 /nfs/dbraw/zinc/19/06/65/347190665.db2.gz IYWMBVMAELDMBW-HOCLYGCPSA-N 0 3 285.391 2.105 20 30 CEEDHN CN(C[C@H](O)COCc1ccccc1)CC1(CC#N)CC1 ZINC000602784880 347196858 /nfs/dbraw/zinc/19/68/58/347196858.db2.gz KHKVYKXROMANNM-INIZCTEOSA-N 0 3 288.391 2.190 20 30 CEEDHN N#Cc1cccc(C2(NCCc3cnccn3)CC2)c1 ZINC000602805427 347206468 /nfs/dbraw/zinc/20/64/68/347206468.db2.gz MQPIVSQWQAFOCH-UHFFFAOYSA-N 0 3 264.332 2.170 20 30 CEEDHN CC(C)[C@]1(CO)CCCN(CC2(CC#N)CC2)C1 ZINC000602833519 347217219 /nfs/dbraw/zinc/21/72/19/347217219.db2.gz WFGUMOAUJCJDGB-OAHLLOKOSA-N 0 3 250.386 2.411 20 30 CEEDHN CC(C)(C#N)CCCN1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602923864 347248988 /nfs/dbraw/zinc/24/89/88/347248988.db2.gz KHPXDZJZDDTFHH-HZPDHXFCSA-N 0 3 288.391 2.440 20 30 CEEDHN CO[C@H]1CN(CCC2(C#N)CCCCC2)[C@@](C)(CO)C1 ZINC000602961812 347257610 /nfs/dbraw/zinc/25/76/10/347257610.db2.gz DLLQUHJDUPVGQT-HUUCEWRRSA-N 0 3 280.412 2.322 20 30 CEEDHN N#Cc1ccccc1OCCN[C@H]1CCCn2nccc21 ZINC000603027729 347274473 /nfs/dbraw/zinc/27/44/73/347274473.db2.gz NQYHXUYVDSHCED-AWEZNQCLSA-N 0 3 282.347 2.258 20 30 CEEDHN COCc1cc(C#N)ccc1N(C)CCN(C)C1CC1 ZINC000603343124 347345597 /nfs/dbraw/zinc/34/55/97/347345597.db2.gz SZKNOISNFLLJLK-UHFFFAOYSA-N 0 3 273.380 2.235 20 30 CEEDHN CCC[C@H](N)c1cn(Cc2cn3ccccc3c2C#N)nn1 ZINC000603195673 347304637 /nfs/dbraw/zinc/30/46/37/347304637.db2.gz XXOXDPMKCGUAKQ-AWEZNQCLSA-N 0 3 294.362 2.251 20 30 CEEDHN CC(C)[C@H](N)c1cn(CCCC2(C#N)CCOCC2)nn1 ZINC000603234795 347318020 /nfs/dbraw/zinc/31/80/20/347318020.db2.gz QVCGYENNOADFDP-AWEZNQCLSA-N 0 3 291.399 2.034 20 30 CEEDHN CC[C@](C)(N)c1cn([C@@H](C)c2cccc(C#N)c2)nn1 ZINC000603236352 347318875 /nfs/dbraw/zinc/31/88/75/347318875.db2.gz UGOOJAYPQJOZFI-NHYWBVRUSA-N 0 3 269.352 2.343 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1OCC ZINC000603430328 347368587 /nfs/dbraw/zinc/36/85/87/347368587.db2.gz ZULSKIUVXVDXDR-ZDUSSCGKSA-N 0 3 294.351 2.410 20 30 CEEDHN CCOc1ccccc1CNC1CCN(CC#N)CC1 ZINC000609334922 347635534 /nfs/dbraw/zinc/63/55/34/347635534.db2.gz LCJCFNQCINJOAN-UHFFFAOYSA-N 0 3 273.380 2.163 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000609843408 347652287 /nfs/dbraw/zinc/65/22/87/347652287.db2.gz COHXJTNDZZOCQT-DGCLKSJQSA-N 0 3 286.331 2.281 20 30 CEEDHN N#CCCN(CCC#N)C(=O)CN1C2CCCC1CCC2 ZINC000610395044 347678088 /nfs/dbraw/zinc/67/80/88/347678088.db2.gz RBERFYHSZZPARV-UHFFFAOYSA-N 0 3 288.395 2.049 20 30 CEEDHN CO[C@@H](CNC(=O)C(C)C#N)c1ccccc1Cl ZINC000610791591 347715636 /nfs/dbraw/zinc/71/56/36/347715636.db2.gz COPOFCKLASARLE-CABZTGNLSA-N 0 3 266.728 2.303 20 30 CEEDHN N#Cc1cccc(CN2CCN(c3ccncc3)CC2)c1F ZINC000611372136 347770826 /nfs/dbraw/zinc/77/08/26/347770826.db2.gz MIPFAYIOAYUROW-UHFFFAOYSA-N 0 3 296.349 2.415 20 30 CEEDHN CN1C[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)CCC1=O ZINC000611393114 347772359 /nfs/dbraw/zinc/77/23/59/347772359.db2.gz JUYFARGOAIZWOS-GOEBONIOSA-N 0 3 283.375 2.146 20 30 CEEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000611404464 347774532 /nfs/dbraw/zinc/77/45/32/347774532.db2.gz OOWAYLYGEMVPCC-AAEUAGOBSA-N 0 3 264.325 2.491 20 30 CEEDHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccnc(C#N)c1 ZINC000611431718 347779363 /nfs/dbraw/zinc/77/93/63/347779363.db2.gz GVXYZPVSTIXMLG-ZBFHGGJFSA-N 0 3 287.363 2.165 20 30 CEEDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccnc(C#N)c1 ZINC000611431715 347779632 /nfs/dbraw/zinc/77/96/32/347779632.db2.gz GVXYZPVSTIXMLG-GDBMZVCRSA-N 0 3 287.363 2.165 20 30 CEEDHN CCn1cnnc1CCN[C@H](C)c1cccc(C#N)c1 ZINC000611438892 347780147 /nfs/dbraw/zinc/78/01/47/347780147.db2.gz KCVZFSVDUYVPTK-GFCCVEGCSA-N 0 3 269.352 2.063 20 30 CEEDHN CCO[C@H]1COCC[C@@H]1NCc1ccc(C#N)cc1C ZINC000614406787 348195529 /nfs/dbraw/zinc/19/55/29/348195529.db2.gz UHAZLIRHAABJFM-HOTGVXAUSA-N 0 3 274.364 2.150 20 30 CEEDHN N#CCN1CCC(NCc2ccsc2Cl)CC1 ZINC000616473447 348507434 /nfs/dbraw/zinc/50/74/34/348507434.db2.gz OEPFENYWVCENOO-UHFFFAOYSA-N 0 3 269.801 2.479 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000617782762 348790671 /nfs/dbraw/zinc/79/06/71/348790671.db2.gz MDNVRWJPZOQGMD-KGLIPLIRSA-N 0 3 252.402 2.387 20 30 CEEDHN CC1(C)[C@H](NCc2ccccc2C#N)[C@H]2CCO[C@@H]21 ZINC000339504148 215215019 /nfs/dbraw/zinc/21/50/19/215215019.db2.gz DDNLBXDJQPKYMG-KFWWJZLASA-N 0 3 256.349 2.461 20 30 CEEDHN C=CCN(C(=O)[C@H](CC)N(CC)CC)[C@@H](C)COC ZINC000617580506 348743004 /nfs/dbraw/zinc/74/30/04/348743004.db2.gz ZOXJQESENCNYLV-KBPBESRZSA-N 0 3 270.417 2.156 20 30 CEEDHN Cc1cc(C#N)ccc1CN(C)[C@H](CO)COC(C)C ZINC000617897713 348814145 /nfs/dbraw/zinc/81/41/45/348814145.db2.gz XPDVCVQWLFLSPF-MRXNPFEDSA-N 0 3 276.380 2.084 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](N2CCOCC2)[C@@H]1C ZINC000351995278 219282209 /nfs/dbraw/zinc/28/22/09/219282209.db2.gz MDKDNSVQYBFFON-VKJFTORMSA-N 0 3 299.418 2.414 20 30 CEEDHN CC(C)(C)CN(CCC#N)C[C@@H]1CNc2ccnn2C1 ZINC000619265022 349148798 /nfs/dbraw/zinc/14/87/98/349148798.db2.gz ODFCLMOULFIFNW-ZDUSSCGKSA-N 0 3 275.400 2.187 20 30 CEEDHN C=CCN(CCc1ccccc1)CCN1CCCC1=O ZINC000068334411 362939057 /nfs/dbraw/zinc/93/90/57/362939057.db2.gz DZFDQHRKEMXOHV-UHFFFAOYSA-N 0 3 272.392 2.340 20 30 CEEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)CN1C1CC1 ZINC000404674735 233194608 /nfs/dbraw/zinc/19/46/08/233194608.db2.gz FSQCJKDBSBOUEC-BXUZGUMPSA-N 0 3 273.355 2.412 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCN(CC(C)C)CC1 ZINC000130456289 365958735 /nfs/dbraw/zinc/95/87/35/365958735.db2.gz KHGXLRPWQRKAJK-UHFFFAOYSA-N 0 3 287.407 2.340 20 30 CEEDHN C=C(C)CCNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000624152928 350210800 /nfs/dbraw/zinc/21/08/00/350210800.db2.gz OFSHGWACIPQXGV-CQSZACIVSA-N 0 3 265.401 2.269 20 30 CEEDHN CCN1CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC000104952880 186034026 /nfs/dbraw/zinc/03/40/26/186034026.db2.gz BKRAOGMTEQLRNY-UHFFFAOYSA-N 0 3 261.344 2.225 20 30 CEEDHN N#Cc1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)c(Cl)c1 ZINC000091670560 180224016 /nfs/dbraw/zinc/22/40/16/180224016.db2.gz GZJLNAGYMBOLJO-OLZOCXBDSA-N 0 3 291.782 2.487 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N1CCN2CCC1CC2 ZINC000624463403 350291375 /nfs/dbraw/zinc/29/13/75/350291375.db2.gz HTRSADQSLPESBU-UHFFFAOYSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000624463117 350291396 /nfs/dbraw/zinc/29/13/96/350291396.db2.gz UGPRULPJRXOLEB-INIZCTEOSA-N 0 3 279.428 2.326 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000106035559 186099466 /nfs/dbraw/zinc/09/94/66/186099466.db2.gz RPJQVFMXFLDVOQ-AWEZNQCLSA-N 0 3 280.412 2.124 20 30 CEEDHN CC(C)(C)OC(=O)N[C@H]1CCN(CCCCC#N)C1 ZINC000106870391 186143565 /nfs/dbraw/zinc/14/35/65/186143565.db2.gz CKCHVKJGMZCFJA-LBPRGKRZSA-N 0 3 267.373 2.279 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C)C1 ZINC000625704604 350551534 /nfs/dbraw/zinc/55/15/34/350551534.db2.gz VEXSXQNHICDOQQ-ZIAGYGMSSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)NCCOCCC(C)C)C1 ZINC000625703577 350551804 /nfs/dbraw/zinc/55/18/04/350551804.db2.gz NGPWABDAWMIXKD-OAHLLOKOSA-N 0 3 282.428 2.063 20 30 CEEDHN CCCCN(CC(=O)NCC#N)[C@H](C)c1ccccc1 ZINC000108857329 186233675 /nfs/dbraw/zinc/23/36/75/186233675.db2.gz JWFKKIDYRJKRDA-CQSZACIVSA-N 0 3 273.380 2.489 20 30 CEEDHN CCC#C[C@@H](C)N1CCC(CC)(N2CCOCC2)CC1 ZINC000626088721 350651242 /nfs/dbraw/zinc/65/12/42/350651242.db2.gz KRJFCSURCGJBKS-MRXNPFEDSA-N 0 3 278.440 2.365 20 30 CEEDHN C=CCN1CC[C@H](N2CCC[C@@H](C/C=C/C)C2)C1=O ZINC000626163345 350674064 /nfs/dbraw/zinc/67/40/64/350674064.db2.gz IUYOCOBKCOWDAJ-SZWGIHMLSA-N 0 3 262.397 2.452 20 30 CEEDHN CCN1CCN(CCCOc2cccc(C#N)c2)C[C@@H]1C ZINC000110718467 186316174 /nfs/dbraw/zinc/31/61/74/186316174.db2.gz INZFITSPIOXIFY-HNNXBMFYSA-N 0 3 287.407 2.353 20 30 CEEDHN CN1CCN(Cc2ccc(C#N)cc2F)CC1(C)C ZINC000110718995 186316718 /nfs/dbraw/zinc/31/67/18/186316718.db2.gz FGLZLVBJOLZGDE-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN C=CCC[C@H](O)CN[C@@H](c1ccc(OC)nc1)C1CC1 ZINC000626180115 350679615 /nfs/dbraw/zinc/67/96/15/350679615.db2.gz QEXBQXUOSWISTD-GOEBONIOSA-N 0 3 276.380 2.458 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CCC(N2CCCOCC2)CC1 ZINC000627742192 350915140 /nfs/dbraw/zinc/91/51/40/350915140.db2.gz MCUOTBUREBOCJS-UHFFFAOYSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCN1CC[C@@H](N2CCCC[C@H](SCC)C2)C1=O ZINC000337131365 366031937 /nfs/dbraw/zinc/03/19/37/366031937.db2.gz AAFSPBNHOOWCBX-UONOGXRCSA-N 0 3 282.453 2.381 20 30 CEEDHN C=CCN1CC[C@H](N[C@H]2C[C@H](OCC)C2(CC)CC)C1=O ZINC000337182886 366058518 /nfs/dbraw/zinc/05/85/18/366058518.db2.gz BMKUHYLLJWWOQZ-KKUMJFAQSA-N 0 3 294.439 2.347 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@H](C)CCSCC)C1=O ZINC000337197717 366069179 /nfs/dbraw/zinc/06/91/79/366069179.db2.gz YWVQIOKVABHQCY-OLZOCXBDSA-N 0 3 270.442 2.237 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccnn1CC1CCC1 ZINC000631154080 351990230 /nfs/dbraw/zinc/99/02/30/351990230.db2.gz PXFHLAYQCPUOMH-AWEZNQCLSA-N 0 3 263.385 2.100 20 30 CEEDHN C=CCOc1ccccc1CNCC[C@H](O)C(F)F ZINC000631218127 352022567 /nfs/dbraw/zinc/02/25/67/352022567.db2.gz ALICSGTXNMUTRE-LBPRGKRZSA-N 0 3 271.307 2.357 20 30 CEEDHN C=C(C)CN(CC)Cc1cc(=O)n2cccc(C)c2n1 ZINC000072577050 363147404 /nfs/dbraw/zinc/14/74/04/363147404.db2.gz XVXBLRBMNJICIN-UHFFFAOYSA-N 0 3 271.364 2.401 20 30 CEEDHN CS[C@H]1CN(c2c(F)cc(C#N)cc2F)C[C@H]1N(C)C ZINC000271605406 191236812 /nfs/dbraw/zinc/23/68/12/191236812.db2.gz JESRIXGEIXRPEM-OLZOCXBDSA-N 0 3 297.374 2.318 20 30 CEEDHN CC#CCCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000156612374 188273167 /nfs/dbraw/zinc/27/31/67/188273167.db2.gz FQQVZODNFWAGEC-HNNXBMFYSA-N 0 3 289.354 2.435 20 30 CEEDHN C[C@H](C(=O)NCC#Cc1ccccc1)N1CCCCCC1 ZINC000074192786 363306298 /nfs/dbraw/zinc/30/62/98/363306298.db2.gz NLXBVFDXBZHHAS-MRXNPFEDSA-N 0 3 284.403 2.419 20 30 CEEDHN CCC[C@H](C#N)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000074250929 363315097 /nfs/dbraw/zinc/31/50/97/363315097.db2.gz QEAKUTILRDFAGA-CHWSQXEVSA-N 0 3 251.374 2.059 20 30 CEEDHN C=CCOCCCN1C[C@H](O)C[C@@H]1c1cccc(OC)c1 ZINC000337414399 366147966 /nfs/dbraw/zinc/14/79/66/366147966.db2.gz QNVRHIZTFSMMTC-NVXWUHKLSA-N 0 3 291.391 2.396 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)NCCN1CCC(C)CC1 ZINC000338162348 366217064 /nfs/dbraw/zinc/21/70/64/366217064.db2.gz OKNXNQVDNBUQBW-UHFFFAOYSA-N 0 3 285.391 2.328 20 30 CEEDHN CN(C)[C@H](CNc1cnc(C#N)cn1)c1ccc(F)cc1 ZINC000133198445 366204444 /nfs/dbraw/zinc/20/44/44/366204444.db2.gz TTXSAVLUHLSMPN-CQSZACIVSA-N 0 3 285.326 2.202 20 30 CEEDHN N#Cc1ccc([C@H](O)CN[C@@H](CCO)c2ccccc2)cc1 ZINC000271776515 191318988 /nfs/dbraw/zinc/31/89/88/191318988.db2.gz OOHANYHHUBDHLH-ZWKOTPCHSA-N 0 3 296.370 2.305 20 30 CEEDHN CC[C@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000569972525 299230587 /nfs/dbraw/zinc/23/05/87/299230587.db2.gz ZNAVHIMYCYTRMQ-LBPRGKRZSA-N 0 3 269.352 2.223 20 30 CEEDHN N#Cc1nnc2ccccc2c1N[C@@H]1CCN(C2CC2)C1 ZINC000076324383 363536829 /nfs/dbraw/zinc/53/68/29/363536829.db2.gz WFWUBBOPFLRKHL-LLVKDONJSA-N 0 3 279.347 2.150 20 30 CEEDHN 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ZINC000118399370 365155079 /nfs/dbraw/zinc/15/50/79/365155079.db2.gz YRIBYMFYOVGTHA-WFASDCNBSA-N 0 3 271.364 2.077 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000118963551 365191618 /nfs/dbraw/zinc/19/16/18/365191618.db2.gz IEAHBMAYQHIESI-MRXNPFEDSA-N 0 3 281.363 2.062 20 30 CEEDHN C[C@@H](C1CCC1)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000357013998 370802613 /nfs/dbraw/zinc/80/26/13/370802613.db2.gz WDPCBYMNLCHZAN-ZDUSSCGKSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@H](CC)c1ccc(OC)cc1 ZINC000121076934 365519877 /nfs/dbraw/zinc/51/98/77/365519877.db2.gz AGCDWDRJEZTHBQ-IUODEOHRSA-N 0 3 276.380 2.427 20 30 CEEDHN CN(C)[C@H]1CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000336155928 365487429 /nfs/dbraw/zinc/48/74/29/365487429.db2.gz OSCYHVSVYLFHLD-INIZCTEOSA-N 0 3 297.402 2.142 20 30 CEEDHN C=CCCC[NH2+][C@@H](c1nc(-c2nc[n-]n2)no1)C(C)C ZINC000120863504 365487735 /nfs/dbraw/zinc/48/77/35/365487735.db2.gz HOMSBTPSUVFPLQ-SNVBAGLBSA-N 0 3 276.344 2.108 20 30 CEEDHN C=CCCCN[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000120863504 365487738 /nfs/dbraw/zinc/48/77/38/365487738.db2.gz HOMSBTPSUVFPLQ-SNVBAGLBSA-N 0 3 276.344 2.108 20 30 CEEDHN COC(=O)CCN(Cc1ccc(F)c(C#N)c1)C(C)C ZINC000120915716 365494711 /nfs/dbraw/zinc/49/47/11/365494711.db2.gz FXGTUDRBSDCTSJ-UHFFFAOYSA-N 0 3 278.327 2.471 20 30 CEEDHN CCN1CCC(NC(=O)c2ccc(C#N)cc2C)CC1 ZINC000159911090 366957973 /nfs/dbraw/zinc/95/79/73/366957973.db2.gz MLLOHGKWPSZMCT-UHFFFAOYSA-N 0 3 271.364 2.081 20 30 CEEDHN N#CCC1(CNC[C@@H](O)COc2ccccc2Cl)CC1 ZINC000583990050 367124780 /nfs/dbraw/zinc/12/47/80/367124780.db2.gz BAHVEZFBXMBQHZ-GFCCVEGCSA-N 0 3 294.782 2.363 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@H](c2nncn2C(C)C)C1 ZINC000245544927 370835823 /nfs/dbraw/zinc/83/58/23/370835823.db2.gz UYEDTNRULYVRGY-GJZGRUSLSA-N 0 3 292.427 2.366 20 30 CEEDHN CC(C)COC[C@@H](NC(=O)C(C)C#N)c1ccco1 ZINC000357824823 370830799 /nfs/dbraw/zinc/83/07/99/370830799.db2.gz KMBSIQKQHHLUAW-VXGBXAGGSA-N 0 3 264.325 2.269 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)CCCCCC#N)CCN1C ZINC000588544243 367194335 /nfs/dbraw/zinc/19/43/35/367194335.db2.gz IWQWTUZKAIKJTB-CHWSQXEVSA-N 0 3 251.374 2.059 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H](C)[C@H]1CCOC1 ZINC000163106732 367217694 /nfs/dbraw/zinc/21/76/94/367217694.db2.gz KHMYJWMDJHUCRC-RISCZKNCSA-N 0 3 260.337 2.081 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1[C@H](C)[C@@H](OC)C1(CC)CC ZINC000245609883 370848804 /nfs/dbraw/zinc/84/88/04/370848804.db2.gz NPMOHNNJYPMOPP-IGQOVBAYSA-N 0 3 282.428 2.106 20 30 CEEDHN N#Cc1ccc(CNCCc2ccc3c[nH]nc3c2)o1 ZINC000341252696 367246400 /nfs/dbraw/zinc/24/64/00/367246400.db2.gz DKWKVDJXJWGGJF-UHFFFAOYSA-N 0 3 266.304 2.360 20 30 CEEDHN C[C@H](CN1CCCCC1)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000167495399 367340096 /nfs/dbraw/zinc/34/00/96/367340096.db2.gz BAIXYLDPJSNCDJ-LLVKDONJSA-N 0 3 289.339 2.148 20 30 CEEDHN N#Cc1ccnc(NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000167493355 367340101 /nfs/dbraw/zinc/34/01/01/367340101.db2.gz NADPFMWBHMTSDA-UHFFFAOYSA-N 0 3 289.339 2.149 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000341364904 367305974 /nfs/dbraw/zinc/30/59/74/367305974.db2.gz DFEOUUPZKXICFG-IHRRRGAJSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCC[C@H](O)CN[C@H](COC)c1ccc(F)cc1 ZINC000342341461 367401277 /nfs/dbraw/zinc/40/12/77/367401277.db2.gz QRZGORNAAAVSAZ-LSDHHAIUSA-N 0 3 267.344 2.430 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000342395801 367405737 /nfs/dbraw/zinc/40/57/37/367405737.db2.gz ZKVRPIFXVBLBGN-KGLIPLIRSA-N 0 3 267.417 2.467 20 30 CEEDHN N#CCCCCN1CCN(c2cccc(O)c2)CC1 ZINC000170820161 367423948 /nfs/dbraw/zinc/42/39/48/367423948.db2.gz QTRXJRAOZBVULY-UHFFFAOYSA-N 0 3 259.353 2.208 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000341604235 367370282 /nfs/dbraw/zinc/37/02/82/367370282.db2.gz YTSYWBIETAOZCH-AVGNSLFASA-N 0 3 253.390 2.123 20 30 CEEDHN CN(CCOc1ccccc1C#N)CC[C@@H]1CCCO1 ZINC000342580551 367432077 /nfs/dbraw/zinc/43/20/77/367432077.db2.gz FJFGVRCJJWGWGS-HNNXBMFYSA-N 0 3 274.364 2.438 20 30 CEEDHN C=CCCN(C)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000342734107 367506511 /nfs/dbraw/zinc/50/65/11/367506511.db2.gz HMTXHMLPMNZLNG-LBPRGKRZSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)o2)CC1 ZINC000171720994 367603010 /nfs/dbraw/zinc/60/30/10/367603010.db2.gz BFAIQRFRPAFLAM-UHFFFAOYSA-N 0 3 268.744 2.313 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2coc(C3CC3)n2)CC1 ZINC000681634483 541574582 /nfs/dbraw/zinc/57/45/82/541574582.db2.gz QXQKBTBGGZANRB-UHFFFAOYSA-N 0 3 289.379 2.322 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ccccc2OC)CC1 ZINC000171680251 367591762 /nfs/dbraw/zinc/59/17/62/367591762.db2.gz RBIFPRCFPKTMCL-UHFFFAOYSA-N 0 3 289.379 2.467 20 30 CEEDHN Cn1nnc2cc(CNCc3cccc(C#N)c3)ccc21 ZINC000343271864 367737918 /nfs/dbraw/zinc/73/79/18/367737918.db2.gz RNZLDOCLPHITTG-UHFFFAOYSA-N 0 3 277.331 2.130 20 30 CEEDHN COC(=O)C[C@@H]1CCCN1Cc1ccc(CC#N)cc1 ZINC000343413040 367801209 /nfs/dbraw/zinc/80/12/09/367801209.db2.gz HBAHATCOJAVPJG-HNNXBMFYSA-N 0 3 272.348 2.280 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000358072556 370893861 /nfs/dbraw/zinc/89/38/61/370893861.db2.gz KEYWWSIRGPHXIZ-ZHAHWJHGSA-N 0 3 280.274 2.420 20 30 CEEDHN CCOc1cccc([C@@H]2C[C@H]2NC(=O)C(C)C#N)c1 ZINC000343517837 367858286 /nfs/dbraw/zinc/85/82/86/367858286.db2.gz DZECZIOBMKKVFO-DDTOSNHZSA-N 0 3 258.321 2.217 20 30 CEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)cc1 ZINC000343498943 367847266 /nfs/dbraw/zinc/84/72/66/367847266.db2.gz HNVDLQWZBOMTHD-CZUORRHYSA-N 0 3 288.391 2.464 20 30 CEEDHN CCCN(CC)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000343641395 367933318 /nfs/dbraw/zinc/93/33/18/367933318.db2.gz BXNRASDIEZJIIP-TZMCWYRMSA-N 0 3 253.390 2.161 20 30 CEEDHN CC(=O)C[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000343876251 368052844 /nfs/dbraw/zinc/05/28/44/368052844.db2.gz VJXQHSUSMDKPDL-IUODEOHRSA-N 0 3 272.348 2.243 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)N[C@@H](CN)C(F)(F)F ZINC000632955965 368004136 /nfs/dbraw/zinc/00/41/36/368004136.db2.gz SCYRYELXYPBPCB-VIFPVBQESA-N 0 3 281.322 2.168 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000174379276 368016984 /nfs/dbraw/zinc/01/69/84/368016984.db2.gz MNCDLNJLCIIQQH-UONOGXRCSA-N 0 3 298.390 2.214 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](C2CC2)C1 ZINC000344057590 368104035 /nfs/dbraw/zinc/10/40/35/368104035.db2.gz WEGCRHNJGNCDMU-HIFRSBDPSA-N 0 3 262.397 2.307 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@@](C)(CC)C2)CC1 ZINC000344067240 368105215 /nfs/dbraw/zinc/10/52/15/368105215.db2.gz YYQOLUWWKCFMOJ-MRXNPFEDSA-N 0 3 279.428 2.468 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N(C)C[C@@H]1CC=CCC1 ZINC000344067487 368105293 /nfs/dbraw/zinc/10/52/93/368105293.db2.gz PNKUCXIPXNUDPH-ZIAGYGMSSA-N 0 3 263.385 2.035 20 30 CEEDHN CC(C)(C)[C@@H]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000344148984 368111418 /nfs/dbraw/zinc/11/14/18/368111418.db2.gz JXXGOQCJCYDFEP-HUUCEWRRSA-N 0 3 285.391 2.453 20 30 CEEDHN CCCN1CCC[C@H]1CNc1nnc(C)c(C)c1C#N ZINC000343908960 368070403 /nfs/dbraw/zinc/07/04/03/368070403.db2.gz JFCXUHDJYQRKBV-ZDUSSCGKSA-N 0 3 273.384 2.251 20 30 CEEDHN CC[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)o2)C1 ZINC000175863758 368184079 /nfs/dbraw/zinc/18/40/79/368184079.db2.gz AQUZTTZBMBXUDN-SZEPBZDZSA-N 0 3 280.393 2.321 20 30 CEEDHN C[C@@H](CNC(=O)Cc1ccc(C#N)cc1)N1CCCC[C@H]1C ZINC000345882666 368467831 /nfs/dbraw/zinc/46/78/31/368467831.db2.gz XPPCFNZPOVCLNB-CABCVRRESA-N 0 3 299.418 2.480 20 30 CEEDHN C[C@@H](CO[C@H]1CCOC1)N[C@@H](C)c1cccc(C#N)c1 ZINC000181876770 368503338 /nfs/dbraw/zinc/50/33/38/368503338.db2.gz JZKFIUQTOCJRCE-XEZPLFJOSA-N 0 3 274.364 2.403 20 30 CEEDHN C[C@@H](NCCN1CCOCC1(C)C)c1cccc(C#N)c1 ZINC000181679353 368481782 /nfs/dbraw/zinc/48/17/82/368481782.db2.gz HHPZKFFSAXFKGF-CQSZACIVSA-N 0 3 287.407 2.320 20 30 CEEDHN C[C@@H](NCCN1CCCC1)c1ccc(C#N)c(F)c1 ZINC000346091884 368541996 /nfs/dbraw/zinc/54/19/96/368541996.db2.gz YREUMXAXCWEKLZ-GFCCVEGCSA-N 0 3 261.344 2.444 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2cccc(C#N)c2)C[C@H]1C ZINC000346176005 368577258 /nfs/dbraw/zinc/57/72/58/368577258.db2.gz VSPDLQAIOACAGN-ZIAGYGMSSA-N 0 3 257.381 2.473 20 30 CEEDHN CC(=O)NC1CCC(N(C)Cc2ccc(C#N)s2)CC1 ZINC000346282244 368621267 /nfs/dbraw/zinc/62/12/67/368621267.db2.gz WWDDOLHUCQUIRE-UHFFFAOYSA-N 0 3 291.420 2.499 20 30 CEEDHN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)C(C)C#N ZINC000346446714 368678012 /nfs/dbraw/zinc/67/80/12/368678012.db2.gz QEMRFNZCBANZJO-DGFSRKRXSA-N 0 3 258.321 2.001 20 30 CEEDHN C[C@@H](NCC(=O)NCC#N)c1cc2ccccc2s1 ZINC000184363327 368688682 /nfs/dbraw/zinc/68/86/82/368688682.db2.gz ZHTKBUDBEPQBOV-SNVBAGLBSA-N 0 3 273.361 2.192 20 30 CEEDHN C[C@H]1CCCC[C@H]1N(C)CC(=O)NC1(C#N)CCC1 ZINC000347226172 368802400 /nfs/dbraw/zinc/80/24/00/368802400.db2.gz MGHWBZRFHFUGPO-QWHCGFSZSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@@H]1OCC[C@@]12CN(CCC(C)(C)C#N)C[C@@H](C)O2 ZINC000347218471 368802592 /nfs/dbraw/zinc/80/25/92/368802592.db2.gz USWPRCWIWBDVCO-VNHYZAJKSA-N 0 3 266.385 2.195 20 30 CEEDHN C[C@H]1OCC[C@@]12CN(CCC(C)(C)C#N)C[C@@H](C)O2 ZINC000347218470 368802750 /nfs/dbraw/zinc/80/27/50/368802750.db2.gz USWPRCWIWBDVCO-UMVBOHGHSA-N 0 3 266.385 2.195 20 30 CEEDHN CC#CCCCC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000347289962 368804172 /nfs/dbraw/zinc/80/41/72/368804172.db2.gz UTYGMWHOEFDNEG-HNNXBMFYSA-N 0 3 262.397 2.313 20 30 CEEDHN N#C[C@H]1CCC[C@H](NC[C@H](O)c2ccsc2)C1 ZINC000185838194 368870472 /nfs/dbraw/zinc/87/04/72/368870472.db2.gz SANFFPFJMUPWIK-DRZSPHRISA-N 0 3 250.367 2.453 20 30 CEEDHN CCC[C@H](C)N1CCN(c2ncccc2C#N)CC1 ZINC000186702674 369023514 /nfs/dbraw/zinc/02/35/14/369023514.db2.gz XOYYVFBAXWSVES-ZDUSSCGKSA-N 0 3 258.369 2.264 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(OC)c(COC)c1 ZINC000186711166 369025207 /nfs/dbraw/zinc/02/52/07/369025207.db2.gz KJIUSGMHIPBGIG-SWLSCSKDSA-N 0 3 279.380 2.429 20 30 CEEDHN COc1ccc(CN(C)CCN(C)C2CC2)cc1C#N ZINC000186751240 369033680 /nfs/dbraw/zinc/03/36/80/369033680.db2.gz OJZMQDGQTGMARM-UHFFFAOYSA-N 0 3 273.380 2.093 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)NCC(C)(C)C#N)c1 ZINC000348506554 369064943 /nfs/dbraw/zinc/06/49/43/369064943.db2.gz BQGWLGHGNIVLIK-UHFFFAOYSA-N 0 3 274.368 2.419 20 30 CEEDHN CCS[C@@H]1CCC[C@@H]1NCC(=O)N(CC)C[C@H](C)C#N ZINC000348463335 369053492 /nfs/dbraw/zinc/05/34/92/369053492.db2.gz ANFVBFHIURMCLF-HZSPNIEDSA-N 0 3 297.468 2.258 20 30 CEEDHN C=CCOCCNCc1ccc(N(C)C(C)C)nc1 ZINC000682942963 541738858 /nfs/dbraw/zinc/73/88/58/541738858.db2.gz JESFGHOBENUWRF-UHFFFAOYSA-N 0 3 263.385 2.218 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(Nc3ccccc3)CC2)CC1 ZINC000635530691 369207128 /nfs/dbraw/zinc/20/71/28/369207128.db2.gz JFRBUSNNZGZXER-UHFFFAOYSA-N 0 3 299.418 2.398 20 30 CEEDHN CC(C)C(=O)NCCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000187716735 369209413 /nfs/dbraw/zinc/20/94/13/369209413.db2.gz KHRYPHCQVZZJIR-ZDUSSCGKSA-N 0 3 273.380 2.323 20 30 CEEDHN C=CCNC(=O)CNC[C@@H](C)c1cccc(Cl)c1 ZINC000188233407 369323759 /nfs/dbraw/zinc/32/37/59/369323759.db2.gz DZXMAJAPVHPFOU-LLVKDONJSA-N 0 3 266.772 2.335 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000349746202 369384696 /nfs/dbraw/zinc/38/46/96/369384696.db2.gz OYRPAHLZEPJXTH-BXUZGUMPSA-N 0 3 292.379 2.241 20 30 CEEDHN COc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(OC)c1 ZINC000349829960 369414507 /nfs/dbraw/zinc/41/45/07/369414507.db2.gz PTTMBYSXIDCUFF-DGCLKSJQSA-N 0 3 260.337 2.486 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000349860067 369426863 /nfs/dbraw/zinc/42/68/63/369426863.db2.gz CUAPXOQFQMCQGI-VNHYZAJKSA-N 0 3 265.401 2.163 20 30 CEEDHN CC[C@@]1(CO)CCCN1Cc1cc(C#N)ccc1F ZINC000189616061 369547890 /nfs/dbraw/zinc/54/78/90/369547890.db2.gz HOFUCSQMFMQZDC-HNNXBMFYSA-N 0 3 262.328 2.434 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cccc(F)c1C#N ZINC000189623186 369549614 /nfs/dbraw/zinc/54/96/14/369549614.db2.gz QKFAXGXHNUEJFH-GFCCVEGCSA-N 0 3 289.354 2.111 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351615603 369643050 /nfs/dbraw/zinc/64/30/50/369643050.db2.gz OPGRCADLPAVIMU-MRVPVSSYSA-N 0 3 281.699 2.067 20 30 CEEDHN C=CCCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000276430239 193327357 /nfs/dbraw/zinc/32/73/57/193327357.db2.gz RNTJKIDEUOBXRY-INIZCTEOSA-N 0 3 287.407 2.478 20 30 CEEDHN Cn1cccc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000191002072 369668203 /nfs/dbraw/zinc/66/82/03/369668203.db2.gz YAJCNTUDGZWWKK-LLVKDONJSA-N 0 3 276.299 2.458 20 30 CEEDHN C=CCN(CCOC)C[C@@H](O)COc1ccccc1Cl ZINC000191116510 369680007 /nfs/dbraw/zinc/68/00/07/369680007.db2.gz USEWJDZNGIRZEP-CYBMUJFWSA-N 0 3 299.798 2.214 20 30 CEEDHN C=CCCN(C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000276483087 193350341 /nfs/dbraw/zinc/35/03/41/193350341.db2.gz TUFHBHPNIJKDDJ-LBPRGKRZSA-N 0 3 275.352 2.231 20 30 CEEDHN C=CCN(CCOC)C(=O)c1cccc(CN(C)C)c1 ZINC000191965824 369758277 /nfs/dbraw/zinc/75/82/77/369758277.db2.gz SXBRLBYPZWBETK-UHFFFAOYSA-N 0 3 276.380 2.023 20 30 CEEDHN C=C(C)CCN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352671548 369827584 /nfs/dbraw/zinc/82/75/84/369827584.db2.gz JHYPSEXFHOSKHK-QWRGUYRKSA-N 0 3 251.292 2.445 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000637325412 369903393 /nfs/dbraw/zinc/90/33/93/369903393.db2.gz UZVNBFRNNIWXPL-ZDUSSCGKSA-N 0 3 267.417 2.324 20 30 CEEDHN CCN1CCN(Cc2cn3ccccc3c2C#N)[C@@H](C)C1 ZINC000352697651 369842131 /nfs/dbraw/zinc/84/21/31/369842131.db2.gz LQVKICKWJXHLND-AWEZNQCLSA-N 0 3 282.391 2.337 20 30 CEEDHN CC(C)[C@@](C)(CO)NCc1ccc(C#N)c(F)c1 ZINC000352893213 369936983 /nfs/dbraw/zinc/93/69/83/369936983.db2.gz OEFMEWBMQPIZGJ-CQSZACIVSA-N 0 3 250.317 2.194 20 30 CEEDHN CC[C@H](C)NC(=O)CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353248528 370094115 /nfs/dbraw/zinc/09/41/15/370094115.db2.gz BDYJQRDSFHHOMU-LRDDRELGSA-N 0 3 285.391 2.440 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)NCC ZINC000637941688 370185994 /nfs/dbraw/zinc/18/59/94/370185994.db2.gz OUOKSCZEDWPUOO-CYBMUJFWSA-N 0 3 276.380 2.208 20 30 CEEDHN COc1ccccc1C1(CNC(=O)C(C)C#N)CCC1 ZINC000354091490 370214036 /nfs/dbraw/zinc/21/40/36/370214036.db2.gz JNQJGBZSCLHZIE-LBPRGKRZSA-N 0 3 272.348 2.393 20 30 CEEDHN CCCN(CCN1CCCC1)C(=O)c1ccc(C#N)o1 ZINC000354268757 370287873 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372067041 /nfs/dbraw/zinc/06/70/41/372067041.db2.gz YXUDFJFOXBFTPB-UKRRQHHQSA-N 0 3 250.386 2.284 20 30 CEEDHN C[C@@H](NCCn1cnnc1C1CC1)c1cccc(C#N)c1 ZINC000344281178 217131756 /nfs/dbraw/zinc/13/17/56/217131756.db2.gz ANURVHPGNWEAKG-GFCCVEGCSA-N 0 3 281.363 2.378 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1cccc(C)c1C ZINC000268818214 372240110 /nfs/dbraw/zinc/24/01/10/372240110.db2.gz OJGKFLKYJFWWDG-AWEZNQCLSA-N 0 3 258.365 2.094 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NCc1ccc(C#N)cc1F ZINC000268901321 372278208 /nfs/dbraw/zinc/27/82/08/372278208.db2.gz RDZFDKVBFZKZNP-BZNIZROVSA-N 0 3 273.355 2.270 20 30 CEEDHN CC(C)N(C)CC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000269609557 372504406 /nfs/dbraw/zinc/50/44/06/372504406.db2.gz LMEJXQKUCMCOHW-UHFFFAOYSA-N 0 3 271.364 2.004 20 30 CEEDHN CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000344453961 217195760 /nfs/dbraw/zinc/19/57/60/217195760.db2.gz BVKJXEZVMLUQRA-GXFFZTMASA-N 0 3 298.433 2.065 20 30 CEEDHN C=CCN(CC=C)[C@H](CNCc1ccncc1N)C(C)C ZINC000641707924 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ZINC000644720354 373624812 /nfs/dbraw/zinc/62/48/12/373624812.db2.gz YHMZYVBWLDPHBJ-UHFFFAOYSA-N 0 3 262.397 2.309 20 30 CEEDHN COCC#CCN[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000645020494 373827462 /nfs/dbraw/zinc/82/74/62/373827462.db2.gz CYWKCTNJGODJNJ-INIZCTEOSA-N 0 3 273.376 2.130 20 30 CEEDHN C[C@]1(NCC(=O)Nc2ccc(C#N)cc2)CCO[C@@H]1C1CC1 ZINC000371715381 373957250 /nfs/dbraw/zinc/95/72/50/373957250.db2.gz JWYFJPBBTVVFEQ-SJORKVTESA-N 0 3 299.374 2.044 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2cccc(C(=O)NC3CC3)c2)C1 ZINC000574475666 335022762 /nfs/dbraw/zinc/02/27/62/335022762.db2.gz DGYOXCFZFLRLGJ-BLLLJJGKSA-N 0 3 283.375 2.361 20 30 CEEDHN Cc1cn2c(n1)CC[C@H](NCc1ccc(C#N)s1)C2 ZINC000371882610 373998103 /nfs/dbraw/zinc/99/81/03/373998103.db2.gz CWDVYWAHJXWSLE-NSHDSACASA-N 0 3 272.377 2.229 20 30 CEEDHN C=C(C)CCN(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000274773749 374044811 /nfs/dbraw/zinc/04/48/11/374044811.db2.gz IEDBYPXBKWCESO-UHFFFAOYSA-N 0 3 296.436 2.171 20 30 CEEDHN C=C(CC)CNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000645532755 374096464 /nfs/dbraw/zinc/09/64/64/374096464.db2.gz HCEBTWZFCQFVOB-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN CN(Cc1cc(C#N)n(C)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000373822067 374426791 /nfs/dbraw/zinc/42/67/91/374426791.db2.gz WOGUHDURQGYIET-RBSFLKMASA-N 0 3 273.380 2.142 20 30 CEEDHN C[C@H]1CN(C2CCN(Cc3cccc(C#N)c3)CC2)CCO1 ZINC000373922370 374449957 /nfs/dbraw/zinc/44/99/57/374449957.db2.gz UYTZARNJCZBYKY-HNNXBMFYSA-N 0 3 299.418 2.243 20 30 CEEDHN Cc1ccc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1C#N ZINC000374117581 374491069 /nfs/dbraw/zinc/49/10/69/374491069.db2.gz COBLTCORVWJYIK-DOTOQJQBSA-N 0 3 297.402 2.423 20 30 CEEDHN C[C@H]1CN(Cc2ccc(F)c(C#N)c2)[C@@H](C)CN1C ZINC000334176246 206144815 /nfs/dbraw/zinc/14/48/15/206144815.db2.gz CQRASZKPUHHXRK-RYUDHWBXSA-N 0 3 261.344 2.222 20 30 CEEDHN O=C(C#Cc1ccccc1)NC[C@@H]1CCCCN1C1CC1 ZINC000277475920 374533287 /nfs/dbraw/zinc/53/32/87/374533287.db2.gz IHKNAJUKJFQBNC-KRWDZBQOSA-N 0 3 282.387 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CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCCO[C@H](CC)C1 ZINC000281427015 375377588 /nfs/dbraw/zinc/37/75/88/375377588.db2.gz PCENMVZSZBKICU-LSDHHAIUSA-N 0 3 280.412 2.076 20 30 CEEDHN C[C@H](C(=O)N[C@H]1CCC[C@H]1C#N)N1CCCCCC1 ZINC000408335047 375456695 /nfs/dbraw/zinc/45/66/95/375456695.db2.gz SCXHFNGVMJAJEJ-RDBSUJKOSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@H]1CCC[C@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000282122169 375407270 /nfs/dbraw/zinc/40/72/70/375407270.db2.gz QTIABRDNGSVOFG-SMDDNHRTSA-N 0 3 257.337 2.275 20 30 CEEDHN COC(=O)[C@]1(C)CN(Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000282409869 375477531 /nfs/dbraw/zinc/47/75/31/375477531.db2.gz HYTOWQDKWHOZAH-BDJLRTHQSA-N 0 3 290.338 2.328 20 30 CEEDHN N#Cc1nccn1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000283884811 375777004 /nfs/dbraw/zinc/77/70/04/375777004.db2.gz IKNWCJJYDQNBNU-MRXNPFEDSA-N 0 3 296.374 2.046 20 30 CEEDHN C=CCN(CCC#N)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415898180 376029415 /nfs/dbraw/zinc/02/94/15/376029415.db2.gz QPCSBTCPOFZCGI-UHFFFAOYSA-N 0 3 284.363 2.266 20 30 CEEDHN CN1CCC[C@H]1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000334281759 206303937 /nfs/dbraw/zinc/30/39/37/206303937.db2.gz HRVNBWITIKXORP-KRWDZBQOSA-N 0 3 295.386 2.268 20 30 CEEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000289664164 376436596 /nfs/dbraw/zinc/43/65/96/376436596.db2.gz GVFDDAVJRIQHLX-WCQYABFASA-N 0 3 289.379 2.168 20 30 CEEDHN C[C@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)CC(F)(F)F ZINC000419341887 376446358 /nfs/dbraw/zinc/44/63/58/376446358.db2.gz ZSHUGDFZKRRREW-JOYOIKCWSA-N 0 3 299.296 2.263 20 30 CEEDHN C#CCOc1ccccc1CNCCc1nnc(C)s1 ZINC000289784995 376499083 /nfs/dbraw/zinc/49/90/83/376499083.db2.gz JSOOGWFZBDJZHQ-UHFFFAOYSA-N 0 3 287.388 2.191 20 30 CEEDHN N#Cc1cccc(OC2CCN(CCCCO)CC2)c1 ZINC000264236753 190098567 /nfs/dbraw/zinc/09/85/67/190098567.db2.gz ZWJFQAGPJKMQKQ-UHFFFAOYSA-N 0 3 274.364 2.174 20 30 CEEDHN CC1(CN2CCN(c3ccccc3C#N)CC2)CC1 ZINC000559117312 376660311 /nfs/dbraw/zinc/66/03/11/376660311.db2.gz BGUAGDUSLXZMIO-UHFFFAOYSA-N 0 3 255.365 2.480 20 30 CEEDHN COc1cc(CNC[C@@](C)(O)C(C)C)ccc1C#N ZINC000311864363 376691530 /nfs/dbraw/zinc/69/15/30/376691530.db2.gz VQZVLDGCRAQTSD-OAHLLOKOSA-N 0 3 262.353 2.063 20 30 CEEDHN COc1cc(CN2CCC[C@H]([C@@H](C)O)C2)ccc1C#N ZINC000559783518 376693455 /nfs/dbraw/zinc/69/34/55/376693455.db2.gz YAFGZXPIJMGVQP-DOMZBBRYSA-N 0 3 274.364 2.160 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(OC)c(F)c2)CC1 ZINC000264499791 190113959 /nfs/dbraw/zinc/11/39/59/190113959.db2.gz QCPOCWLIZBOQCZ-UHFFFAOYSA-N 0 3 292.354 2.215 20 30 CEEDHN C=CCN(C)Cc1cccc(CN2CCOCC2)c1 ZINC000420915901 376735742 /nfs/dbraw/zinc/73/57/42/376735742.db2.gz GLIAJXCFFCBKEZ-UHFFFAOYSA-N 0 3 260.381 2.137 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](C2CCCC2)C1 ZINC000420957450 376748714 /nfs/dbraw/zinc/74/87/14/376748714.db2.gz ALMXPTXFYKRSEU-GXTWGEPZSA-N 0 3 250.386 2.189 20 30 CEEDHN N#Cc1ncn(CCN[C@H]2CCc3c2cccc3Cl)n1 ZINC000560447059 376749363 /nfs/dbraw/zinc/74/93/63/376749363.db2.gz WCQJHWQSEHGQDH-ZDUSSCGKSA-N 0 3 287.754 2.080 20 30 CEEDHN C[C@H](CNc1cccnc1C#N)N1CCC[C@@H](C)C1 ZINC000290446197 376781367 /nfs/dbraw/zinc/78/13/67/376781367.db2.gz COOITDOEDBXBIW-CHWSQXEVSA-N 0 3 258.369 2.486 20 30 CEEDHN N#Cc1ccc(C(=O)NC[C@@H]2NCCc3ccccc32)cc1 ZINC000318912645 376812320 /nfs/dbraw/zinc/81/23/20/376812320.db2.gz SSTOAZQQUHWKSY-KRWDZBQOSA-N 0 3 291.354 2.175 20 30 CEEDHN CC#CCN(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000328628032 376863940 /nfs/dbraw/zinc/86/39/40/376863940.db2.gz GUZUJDYWWHLEQA-STQMWFEESA-N 0 3 281.400 2.011 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000328724493 376884426 /nfs/dbraw/zinc/88/44/26/376884426.db2.gz YOCBWLLJJOEGNG-SRVKXCTJSA-N 0 3 267.373 2.182 20 30 CEEDHN C=CCCCCN1CCO[C@@H]2CCN(CC)C[C@@H]21 ZINC000562539815 376928112 /nfs/dbraw/zinc/92/81/12/376928112.db2.gz ZWDKHAQQEWHAQQ-LSDHHAIUSA-N 0 3 252.402 2.138 20 30 CEEDHN Cc1cccnc1CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329273352 376935801 /nfs/dbraw/zinc/93/58/01/376935801.db2.gz AOBBXEHJWHTXFE-ZDUSSCGKSA-N 0 3 288.395 2.044 20 30 CEEDHN C[C@@H](NC(=O)NCCN1CCC(C)CC1)[C@@H]1CCCOC1 ZINC000329395259 376960638 /nfs/dbraw/zinc/96/06/38/376960638.db2.gz VNAKSWZTTOVRSU-HUUCEWRRSA-N 0 3 297.443 2.037 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NOC/C=C/Cl)CC1 ZINC000290937865 376992581 /nfs/dbraw/zinc/99/25/81/376992581.db2.gz ZPXSIHRPIJOMRT-ZZXKWVIFSA-N 0 3 287.791 2.010 20 30 CEEDHN C[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000330423820 377126116 /nfs/dbraw/zinc/12/61/16/377126116.db2.gz ZLBSFSRBQKWAJT-BXUZGUMPSA-N 0 3 257.337 2.275 20 30 CEEDHN O=C(NCCN1CCCCC1)N[C@H]1CCOC2(CCC2)C1 ZINC000330181094 377066427 /nfs/dbraw/zinc/06/64/27/377066427.db2.gz NVVDTSUDPRXFBP-AWEZNQCLSA-N 0 3 295.427 2.078 20 30 CEEDHN CCN(Cc1ccc(C#N)cc1OC)C[C@H](C)OC ZINC000291127965 377083374 /nfs/dbraw/zinc/08/33/74/377083374.db2.gz BMNFGZTVZWPRBR-LBPRGKRZSA-N 0 3 262.353 2.424 20 30 CEEDHN N#Cc1ccc(CNC2(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000563212705 377127439 /nfs/dbraw/zinc/12/74/39/377127439.db2.gz XFLIURKCPZDQHG-UHFFFAOYSA-N 0 3 257.293 2.499 20 30 CEEDHN C[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)C(C)(C)C1 ZINC000331005742 377233592 /nfs/dbraw/zinc/23/35/92/377233592.db2.gz PQFDXSAHIGFQAV-ZDUSSCGKSA-N 0 3 285.391 2.295 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ncc(C)o1)C(C)C ZINC000291679238 377204888 /nfs/dbraw/zinc/20/48/88/377204888.db2.gz DJXKPZYIFMYSNC-AWEZNQCLSA-N 0 3 291.395 2.411 20 30 CEEDHN C[C@@]1(CO)CCC[C@@H]1NCc1cccc(C#N)c1F ZINC000331169296 377311702 /nfs/dbraw/zinc/31/17/02/377311702.db2.gz NTKKZCWBCKDGJR-ZFWWWQNUSA-N 0 3 262.328 2.338 20 30 CEEDHN C[C@H](C(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1cccc(C#N)c1 ZINC000425069382 377328733 /nfs/dbraw/zinc/32/87/33/377328733.db2.gz UWFQPQQNVLMNHO-RRQGHBQHSA-N 0 3 297.402 2.214 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H]1CCC[C@]1(C)CO ZINC000331163604 377309837 /nfs/dbraw/zinc/30/98/37/377309837.db2.gz LVJOKINRNSEMOS-HZPDHXFCSA-N 0 3 274.364 2.208 20 30 CEEDHN C#CCCOc1ccc(CN[C@@H](C)Cn2cccn2)cc1 ZINC000264953287 190146956 /nfs/dbraw/zinc/14/69/56/190146956.db2.gz LFQUFUSEVOAIHR-HNNXBMFYSA-N 0 3 283.375 2.464 20 30 CEEDHN CN1CCC[C@]2(CCN(c3nc4c(cc3C#N)CCC4)C2)C1 ZINC000292901052 377342140 /nfs/dbraw/zinc/34/21/40/377342140.db2.gz WUBHSQQGKVYREZ-SFHVURJKSA-N 0 3 296.418 2.364 20 30 CEEDHN C#CCN(C)CCCNc1c(F)c(F)nc(F)c1F ZINC000292924435 377354234 /nfs/dbraw/zinc/35/42/34/377354234.db2.gz YTXXEDQAMFSNAX-UHFFFAOYSA-N 0 3 275.249 2.005 20 30 CEEDHN N#Cc1cccc(CN2CCC3(CC2)OCCCO3)c1 ZINC000293154979 377449718 /nfs/dbraw/zinc/44/97/18/377449718.db2.gz VDZZIBOBCUSHQR-UHFFFAOYSA-N 0 3 272.348 2.287 20 30 CEEDHN CC(C)NC(=O)NCCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000564915569 377503183 /nfs/dbraw/zinc/50/31/83/377503183.db2.gz IUXNDUQKBBLNLN-CYBMUJFWSA-N 0 3 288.395 2.259 20 30 CEEDHN C#CCCNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000265036237 190153387 /nfs/dbraw/zinc/15/33/87/190153387.db2.gz HACMXURRYWDORB-UHFFFAOYSA-N 0 3 299.418 2.282 20 30 CEEDHN C=CCN(C)CCN(CC)[C@@H](C)c1nc(C2CC2)no1 ZINC000429709040 377519094 /nfs/dbraw/zinc/51/90/94/377519094.db2.gz OMHKSVPWVVKHFI-LBPRGKRZSA-N 0 3 278.400 2.448 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1noc(C(C)C)n1 ZINC000429719489 377519155 /nfs/dbraw/zinc/51/91/55/377519155.db2.gz CMQXLLTVXPLEHM-UHFFFAOYSA-N 0 3 266.389 2.133 20 30 CEEDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)[C@@H]1C ZINC000293399779 377552257 /nfs/dbraw/zinc/55/22/57/377552257.db2.gz LNRXCQLFTJRPHO-VXGBXAGGSA-N 0 3 257.337 2.227 20 30 CEEDHN Cc1ccnc([C@@H]2CCN(CCOCCC#N)C2)c1 ZINC000565173604 377587548 /nfs/dbraw/zinc/58/75/48/377587548.db2.gz ODLAADMWUFSJQI-CQSZACIVSA-N 0 3 259.353 2.110 20 30 CEEDHN C=CCNC(=O)CN1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000285464640 542215511 /nfs/dbraw/zinc/21/55/11/542215511.db2.gz AVVTUMOEVUUHJV-ZFWWWQNUSA-N 0 3 258.365 2.372 20 30 CEEDHN CC(C#N)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431420342 377642033 /nfs/dbraw/zinc/64/20/33/377642033.db2.gz SSMKRBJQOOQNTC-SECBINFHSA-N 0 3 261.281 2.106 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccoc2CC)CC1 ZINC000431636534 377659809 /nfs/dbraw/zinc/65/98/09/377659809.db2.gz WIJMIRQJKCSJFW-UHFFFAOYSA-N 0 3 262.353 2.222 20 30 CEEDHN C=CCCCCN1CCN(Cc2cc(C)on2)CC1 ZINC000565580088 377674558 /nfs/dbraw/zinc/67/45/58/377674558.db2.gz SRLOQSYXLVIOEI-UHFFFAOYSA-N 0 3 263.385 2.457 20 30 CEEDHN CCN(C)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433038490 377779272 /nfs/dbraw/zinc/77/92/72/377779272.db2.gz HLKZLGYVHRGGAM-OAHLLOKOSA-N 0 3 273.380 2.489 20 30 CEEDHN C[C@@H]1[C@@H](Nc2c(C#N)cccc2C#N)CCCN1C ZINC000436364178 377825112 /nfs/dbraw/zinc/82/51/12/377825112.db2.gz RWXNYVWEEIDCSM-RISCZKNCSA-N 0 3 254.337 2.325 20 30 CEEDHN CC[C@@H](O)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000433379169 377791260 /nfs/dbraw/zinc/79/12/60/377791260.db2.gz XQRXWQZEORSJHF-LSDHHAIUSA-N 0 3 274.364 2.036 20 30 CEEDHN C=CC[C@@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433917883 377793536 /nfs/dbraw/zinc/79/35/36/377793536.db2.gz HAESJYVRBOJTDF-TZMCWYRMSA-N 0 3 265.401 2.267 20 30 CEEDHN C=CC[C@H]1N(C[C@H]2CCS(=O)(=O)C2)CCCC1(C)C ZINC000434506363 377798182 /nfs/dbraw/zinc/79/81/82/377798182.db2.gz CEUYHHHGFFVOEO-ZIAGYGMSSA-N 0 3 285.453 2.488 20 30 CEEDHN C=CCN(C[C@@H]1CCS(=O)(=O)C1)CC1CCCCC1 ZINC000434542317 377798693 /nfs/dbraw/zinc/79/86/93/377798693.db2.gz KJNNNVKBINQVRJ-HNNXBMFYSA-N 0 3 285.453 2.489 20 30 CEEDHN COCCN(CC[C@@H]1CCOC1)Cc1ccc(C#N)cc1 ZINC000437582924 377852614 /nfs/dbraw/zinc/85/26/14/377852614.db2.gz WESYCYUMRCPVKQ-QGZVFWFLSA-N 0 3 288.391 2.433 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc(F)cc(F)c2F)CC1 ZINC000294653290 378002724 /nfs/dbraw/zinc/00/27/24/378002724.db2.gz QZWRGQKFCIPRJO-UHFFFAOYSA-N 0 3 296.292 2.388 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCCOc2ncccc2Cl)C1 ZINC000442826664 378004196 /nfs/dbraw/zinc/00/41/96/378004196.db2.gz KCGDFZHSRJGPNO-WDEREUQCSA-N 0 3 265.744 2.396 20 30 CEEDHN C#CCO[C@@H](C)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000295188195 378047754 /nfs/dbraw/zinc/04/77/54/378047754.db2.gz UOHUKSPLJPOGQW-ZDUSSCGKSA-N 0 3 274.364 2.033 20 30 CEEDHN CCN1CCC(Nc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000443438350 378052971 /nfs/dbraw/zinc/05/29/71/378052971.db2.gz NXQYZHNRGXZFKE-UHFFFAOYSA-N 0 3 298.312 2.290 20 30 CEEDHN C=CCN1CCC(Nc2nc3cccc(F)c3n2C)CC1 ZINC000443496335 378055735 /nfs/dbraw/zinc/05/57/35/378055735.db2.gz BCEKJAROAGLBBA-UHFFFAOYSA-N 0 3 288.370 2.197 20 30 CEEDHN C#Cc1ccccc1CC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000295243407 378068706 /nfs/dbraw/zinc/06/87/06/378068706.db2.gz DEIZZRPLQHVNPZ-OAHLLOKOSA-N 0 3 296.414 2.153 20 30 CEEDHN C=CC[C@@H]1N(CC(=O)N2CCC2)CCCC1(C)C ZINC000444789087 378082143 /nfs/dbraw/zinc/08/21/43/378082143.db2.gz ZEXWVKFPJCFZNU-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](O)CC(C)(C)C1 ZINC000295427763 378152296 /nfs/dbraw/zinc/15/22/96/378152296.db2.gz JAWHJTLAXMZPNH-HUUCEWRRSA-N 0 3 294.439 2.058 20 30 CEEDHN CN(CCNc1ncc(Br)cc1C#N)C1CC1 ZINC000295530505 378198858 /nfs/dbraw/zinc/19/88/58/378198858.db2.gz NHJVZQKVTMXKCY-UHFFFAOYSA-N 0 3 295.184 2.222 20 30 CEEDHN C=CCC[C@@H](C)[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC000449713030 378223646 /nfs/dbraw/zinc/22/36/46/378223646.db2.gz VOQZAYIYISINRT-LLVKDONJSA-N 0 3 257.341 2.311 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc([C@@H]2CCCO2)s1 ZINC000449522340 378215061 /nfs/dbraw/zinc/21/50/61/378215061.db2.gz VHVLDVOJNCDMDW-AGIUHOORSA-N 0 3 280.393 2.428 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C(F)(F)F)n[nH]1 ZINC000449547654 378216486 /nfs/dbraw/zinc/21/64/86/378216486.db2.gz JIFXZVHFHDBXPE-ZJUUUORDSA-N 0 3 275.274 2.252 20 30 CEEDHN C=C(CC)CNCc1c(C)nn(CCC(=O)OC)c1C ZINC000449736612 378224710 /nfs/dbraw/zinc/22/47/10/378224710.db2.gz WTAKXOMUIZYKKS-UHFFFAOYSA-N 0 3 279.384 2.119 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@@](CO)(COC)C1 ZINC000449693328 378220196 /nfs/dbraw/zinc/22/01/96/378220196.db2.gz DJVOBHYSOCNOFQ-QGZVFWFLSA-N 0 3 291.391 2.082 20 30 CEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1c[nH]c(C#N)c1 ZINC000295470469 378172304 /nfs/dbraw/zinc/17/23/04/378172304.db2.gz NILHQTHGPLAAQU-HNNXBMFYSA-N 0 3 288.395 2.127 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000448703564 378180969 /nfs/dbraw/zinc/18/09/69/378180969.db2.gz BYBXQWSYPFKERM-QWHCGFSZSA-N 0 3 252.402 2.435 20 30 CEEDHN COCC1(CNCc2nc(C#N)cs2)CCCC1 ZINC000449743573 378226783 /nfs/dbraw/zinc/22/67/83/378226783.db2.gz ZEIVEHMIMKBFFX-UHFFFAOYSA-N 0 3 265.382 2.311 20 30 CEEDHN CCc1cc(N2CCC(C#N)(COC)CC2)ccn1 ZINC000450518873 378459441 /nfs/dbraw/zinc/45/94/41/378459441.db2.gz RGNCWUXEGRYNIA-UHFFFAOYSA-N 0 3 259.353 2.401 20 30 CEEDHN CC(C)CCN(CCC#N)C[C@H]1CCNC(=O)CC1 ZINC000450461614 378431283 /nfs/dbraw/zinc/43/12/83/378431283.db2.gz BSMDXRYUHBRPLX-CQSZACIVSA-N 0 3 265.401 2.164 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H](CC)c1ccccc1 ZINC000296795988 378653301 /nfs/dbraw/zinc/65/33/01/378653301.db2.gz HULMIUZYNXGKKM-MRXNPFEDSA-N 0 3 287.407 2.392 20 30 CEEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)C(C)(C)n1cncn1 ZINC000453366259 378876085 /nfs/dbraw/zinc/87/60/85/378876085.db2.gz DBVRHTFXEGBEGS-LLVKDONJSA-N 0 3 287.342 2.202 20 30 CEEDHN C#CCN(CC)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000299174340 378925588 /nfs/dbraw/zinc/92/55/88/378925588.db2.gz VOXRDWLEDFWTLM-CYBMUJFWSA-N 0 3 267.756 2.035 20 30 CEEDHN C#CCC(CC#C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000278657621 194087907 /nfs/dbraw/zinc/08/79/07/194087907.db2.gz HCACZGQMJMMTLL-MRXNPFEDSA-N 0 3 296.414 2.286 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC000497109502 379051271 /nfs/dbraw/zinc/05/12/71/379051271.db2.gz DIPCSLUICLYMSJ-ZIAGYGMSSA-N 0 3 278.396 2.199 20 30 CEEDHN C=CCN1CC[C@H](N[C@H](C)c2ccc3n[nH]cc3c2)C1=O ZINC000507245570 379101065 /nfs/dbraw/zinc/10/10/65/379101065.db2.gz BRTVLRSEWSSAAC-ABAIWWIYSA-N 0 3 284.363 2.000 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(OCC)c(F)c1 ZINC000278771231 194149008 /nfs/dbraw/zinc/14/90/08/194149008.db2.gz OTULNQVWNTURCH-LBPRGKRZSA-N 0 3 253.317 2.251 20 30 CEEDHN C=CCN1CCC(Nc2nccnc2OC(C)C)CC1 ZINC000302242513 379344663 /nfs/dbraw/zinc/34/46/63/379344663.db2.gz YNJFGZGXDPMYPF-UHFFFAOYSA-N 0 3 276.384 2.326 20 30 CEEDHN CCC(CC)[C@@H](O)CNCc1cnc2ccc(C#N)cn12 ZINC000304233795 379533723 /nfs/dbraw/zinc/53/37/23/379533723.db2.gz JKKVXKSORAJURW-HNNXBMFYSA-N 0 3 286.379 2.093 20 30 CEEDHN C#CCN(C[C@H](O)COC(C)C)[C@H]1CCc2ccccc21 ZINC000304520719 379584419 /nfs/dbraw/zinc/58/44/19/379584419.db2.gz XFYSQLXKBKLTJW-WMZOPIPTSA-N 0 3 287.403 2.395 20 30 CEEDHN C=CCC[C@H](N[C@H]1CCC(=O)N(C)C1)c1ccco1 ZINC000279000331 194246462 /nfs/dbraw/zinc/24/64/62/194246462.db2.gz RESIXSDFEPSVRI-STQMWFEESA-N 0 3 262.353 2.497 20 30 CEEDHN C[C@@H]1CCN(CCNC(=O)Nc2ccc(C#N)cc2)C1 ZINC000524771132 379635909 /nfs/dbraw/zinc/63/59/09/379635909.db2.gz CCHNHRGLYRLTRP-GFCCVEGCSA-N 0 3 272.352 2.022 20 30 CEEDHN CCN1C[C@H](C)N(Cc2ccccc2C#N)[C@@H](C)C1 ZINC000347707066 218329575 /nfs/dbraw/zinc/32/95/75/218329575.db2.gz PIMBDPICVDUSHW-KBPBESRZSA-N 0 3 257.381 2.473 20 30 CEEDHN CN(C)C[C@H]1CCCN1C(=O)/C=C/c1cccc(C#N)c1 ZINC000267442558 190331122 /nfs/dbraw/zinc/33/11/22/190331122.db2.gz CMKCSMGIMKFCQA-ROJDOSBLSA-N 0 3 283.375 2.124 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(CCOC)[C@@H]1CCC[C@H]1C ZINC000487995524 380090870 /nfs/dbraw/zinc/09/08/70/380090870.db2.gz AUCISIWMELBODP-HZPDHXFCSA-N 0 3 294.439 2.324 20 30 CEEDHN C[C@H]1CN(CCCCNc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000267954315 190364987 /nfs/dbraw/zinc/36/49/87/190364987.db2.gz QZUIOCAPGCRQKO-KBPBESRZSA-N 0 3 288.395 2.255 20 30 CEEDHN C[C@@H]1CN(CCCCNc2ncccc2C#N)C[C@@H](C)O1 ZINC000267978726 190367014 /nfs/dbraw/zinc/36/70/14/190367014.db2.gz XGWNDRDXWNUIJH-ZIAGYGMSSA-N 0 3 288.395 2.255 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000268320899 190395077 /nfs/dbraw/zinc/39/50/77/190395077.db2.gz ZRWKXCUPKNCFBL-WFASDCNBSA-N 0 3 262.397 2.354 20 30 CEEDHN CN1CCC(NC(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000540884226 380259131 /nfs/dbraw/zinc/25/91/31/380259131.db2.gz LYUIQYZFQWDQQT-UHFFFAOYSA-N 0 3 277.755 2.036 20 30 CEEDHN C[C@@H]1CN(C(=O)C2(C#N)CCC2)CCN(C2CCC2)C1 ZINC000334337513 380274926 /nfs/dbraw/zinc/27/49/26/380274926.db2.gz VZXMTAADWOHBEC-ZDUSSCGKSA-N 0 3 275.396 2.013 20 30 CEEDHN Cc1ccccc1OC[C@@H](O)CN1CCC(CC#N)CC1 ZINC000541951655 380291534 /nfs/dbraw/zinc/29/15/34/380291534.db2.gz GUJBIMASIXWRNK-INIZCTEOSA-N 0 3 288.391 2.360 20 30 CEEDHN CCCN(CCN(C)C)C(=O)/C=C\c1cccc(C#N)c1 ZINC000491903218 380378697 /nfs/dbraw/zinc/37/86/97/380378697.db2.gz GKEIWECUTVOKSH-HJWRWDBZSA-N 0 3 285.391 2.372 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNc1ccncc1C#N ZINC000548480541 380524993 /nfs/dbraw/zinc/52/49/93/380524993.db2.gz WJTBDIAHEDWQDQ-STQMWFEESA-N 0 3 258.369 2.050 20 30 CEEDHN N#Cc1cnccc1N1CCN(C2CCCCC2)CC1 ZINC000548491259 380526025 /nfs/dbraw/zinc/52/60/25/380526025.db2.gz ZFPTXQSMHCSONC-UHFFFAOYSA-N 0 3 270.380 2.408 20 30 CEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cscc2C#N)C1 ZINC000334557378 380588851 /nfs/dbraw/zinc/58/88/51/380588851.db2.gz DKDZSSWZDYROSJ-FZMZJTMJSA-N 0 3 289.404 2.176 20 30 CEEDHN N#Cc1ccc2ncc(CN3CC[C@H](O)C34CCCC4)n2c1 ZINC000552085007 380682181 /nfs/dbraw/zinc/68/21/81/380682181.db2.gz KQKFPJAWXONWKR-HNNXBMFYSA-N 0 3 296.374 2.085 20 30 CEEDHN CC(C)[C@H](CO)CNC(=O)C(C#N)CCc1ccccc1 ZINC000554052523 380755255 /nfs/dbraw/zinc/75/52/55/380755255.db2.gz PDYYKCBNVAHGAN-CVEARBPZSA-N 0 3 288.391 2.140 20 30 CEEDHN N#Cc1csc(CN[C@@H]2CCOC3(CCC3)C2)n1 ZINC000554972001 380805438 /nfs/dbraw/zinc/80/54/38/380805438.db2.gz RVWBLUSXRUPVGC-SNVBAGLBSA-N 0 3 263.366 2.206 20 30 CEEDHN C=C(C)CN(CCN1C(=O)CCC1=O)Cc1ccccc1 ZINC000279248497 194351463 /nfs/dbraw/zinc/35/14/63/194351463.db2.gz GXXCBFOTNCSFCG-UHFFFAOYSA-N 0 3 286.375 2.214 20 30 CEEDHN CC(C[C@@H]1CCCN1C(=O)OC(C)(C)C)=Nn1cnnc1 ZINC000493873739 381151581 /nfs/dbraw/zinc/15/15/81/381151581.db2.gz NXAYMLUCEAPOSH-LBPRGKRZSA-N 0 3 293.371 2.292 20 30 CEEDHN C#CCCCN1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000494329505 381156159 /nfs/dbraw/zinc/15/61/59/381156159.db2.gz DHINXKYMIVAHBF-CYBMUJFWSA-N 0 3 266.385 2.341 20 30 CEEDHN N#CCCCCN(CCO)Cc1cccc(F)c1 ZINC000494289701 381156315 /nfs/dbraw/zinc/15/63/15/381156315.db2.gz DVYXOJWISHCVSW-UHFFFAOYSA-N 0 3 250.317 2.314 20 30 CEEDHN C=CCN1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494954123 381163723 /nfs/dbraw/zinc/16/37/23/381163723.db2.gz PMLQFGIVNKZNHY-NEPJUHHUSA-N 0 3 254.374 2.408 20 30 CEEDHN CN(CCCCC#N)CCNC(=O)OC(C)(C)C ZINC000495986393 381192573 /nfs/dbraw/zinc/19/25/73/381192573.db2.gz ZOVJYVTZRKTCTF-UHFFFAOYSA-N 0 3 255.362 2.137 20 30 CEEDHN C=CCCN1CCCC[C@H]1COC(=O)NC1CC1 ZINC000496191281 381202728 /nfs/dbraw/zinc/20/27/28/381202728.db2.gz WUDCIKDQAHZVJO-ZDUSSCGKSA-N 0 3 252.358 2.306 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](CN2CCOC2=O)C1 ZINC000496199994 381203824 /nfs/dbraw/zinc/20/38/24/381203824.db2.gz XHWVKIOKPSGRNE-HIFRSBDPSA-N 0 3 299.374 2.393 20 30 CEEDHN CC(C)(C)OC(=O)N[C@H]1CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000496316369 381208942 /nfs/dbraw/zinc/20/89/42/381208942.db2.gz ZJVXNCHTQBMPIR-RWMBFGLXSA-N 0 3 279.384 2.278 20 30 CEEDHN C#CCCCN1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496870440 381231133 /nfs/dbraw/zinc/23/11/33/381231133.db2.gz IGZHTNPVHBNAFB-ZIAGYGMSSA-N 0 3 278.396 2.341 20 30 CEEDHN Cc1c(C(=O)C(C#N)c2nnc3n2CCCCC3)ccn1C ZINC000194893974 542362854 /nfs/dbraw/zinc/36/28/54/542362854.db2.gz JBMAALRSUGNACV-CYBMUJFWSA-N 0 3 297.362 2.142 20 30 CEEDHN Cc1cc(C#N)nc(NC[C@@H](c2cccs2)N(C)C)n1 ZINC000281022135 195071923 /nfs/dbraw/zinc/07/19/23/195071923.db2.gz SJHZOXGKPSSNLV-LBPRGKRZSA-N 0 3 287.392 2.433 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CCN1C ZINC000335292553 208120553 /nfs/dbraw/zinc/12/05/53/208120553.db2.gz DNHVFCYNCNDOSD-XJKSGUPXSA-N 0 3 297.402 2.189 20 30 CEEDHN CC(C#N)C(=O)NCCOc1ccc(Br)cc1 ZINC000347032477 533113331 /nfs/dbraw/zinc/11/33/31/533113331.db2.gz GESIWXQGFANWIN-VIFPVBQESA-N 0 3 297.152 2.104 20 30 CEEDHN Cn1cc(CN[C@@H]2COc3ccc(F)cc3C2)cc1C#N ZINC000288703546 197148762 /nfs/dbraw/zinc/14/87/62/197148762.db2.gz YUOGSEBOYRFNOK-AWEZNQCLSA-N 0 3 285.322 2.129 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC[C@H](CO)[C@@H]1C ZINC000412069006 533270527 /nfs/dbraw/zinc/27/05/27/533270527.db2.gz FMOFHTUBHZKVHL-GXTWGEPZSA-N 0 3 274.364 2.160 20 30 CEEDHN COCC[C@@H](COC)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000353652462 533280485 /nfs/dbraw/zinc/28/04/85/533280485.db2.gz XBUFMZKTSHODSP-RISCZKNCSA-N 0 3 280.343 2.399 20 30 CEEDHN C[C@@H](CNCc1cc(C#N)n(C)c1)Oc1ccccc1 ZINC000191053418 130176838 /nfs/dbraw/zinc/17/68/38/130176838.db2.gz OFFVRKIHNCDZEV-ZDUSSCGKSA-N 0 3 269.348 2.454 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1cnn(C(C)C)c1C ZINC000191498519 130244960 /nfs/dbraw/zinc/24/49/60/130244960.db2.gz OJRXWGZQKQJZKD-WCQYABFASA-N 0 3 251.374 2.360 20 30 CEEDHN CCCN1CCCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000302230392 394475008 /nfs/dbraw/zinc/47/50/08/394475008.db2.gz YESVBSBDHSTCFE-UHFFFAOYSA-N 0 3 288.351 2.389 20 30 CEEDHN CCCN(CCC)CC(=O)NC1(C#N)CCCCC1 ZINC000302817825 394478031 /nfs/dbraw/zinc/47/80/31/394478031.db2.gz YZRHKAFCKLTNDT-UHFFFAOYSA-N 0 3 265.401 2.451 20 30 CEEDHN C[C@@H](O)[C@@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000305184934 394498841 /nfs/dbraw/zinc/49/88/41/394498841.db2.gz PBZGLAUBZNZFNE-UKRRQHHQSA-N 0 3 274.364 2.030 20 30 CEEDHN Cn1cc(CN[C@H](CO)CCC(C)(C)C)cc1C#N ZINC000355683844 394501002 /nfs/dbraw/zinc/50/10/02/394501002.db2.gz UCLZWJVHSMBPGV-ZDUSSCGKSA-N 0 3 263.385 2.174 20 30 CEEDHN COCCN(Cc1ccc(C#N)cc1)[C@H]1CCO[C@@H]1C ZINC000355693096 394503673 /nfs/dbraw/zinc/50/36/73/394503673.db2.gz SUDWJYFYECTMTI-CJNGLKHVSA-N 0 3 274.364 2.184 20 30 CEEDHN CC(C)N(CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000061166082 394568027 /nfs/dbraw/zinc/56/80/27/394568027.db2.gz MKMVIYYHWWOETN-UHFFFAOYSA-N 0 3 263.385 2.202 20 30 CEEDHN Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)C2 ZINC000329524371 394569607 /nfs/dbraw/zinc/56/96/07/394569607.db2.gz QKGNWMMOHMALBD-FPMFFAJLSA-N 0 3 290.411 2.193 20 30 CEEDHN CN(C)C1(CNC(=O)C[C@H]2CCCC(=O)N2)CCC1 ZINC000329755025 394582675 /nfs/dbraw/zinc/58/26/75/394582675.db2.gz LFSBKISNCUELRP-LLVKDONJSA-N 0 3 267.373 2.326 20 30 CEEDHN CN1CC[C@@H]2CN(c3cc(C(F)(F)F)cnc3C#N)C[C@@H]21 ZINC000413324810 394527447 /nfs/dbraw/zinc/52/74/47/394527447.db2.gz UYAOGUKCRLRZOT-RNCFNFMXSA-N 0 3 296.296 2.112 20 30 CEEDHN C[C@@H](F)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000356702121 394591379 /nfs/dbraw/zinc/59/13/79/394591379.db2.gz HXJXUKMAUURUDD-BXUZGUMPSA-N 0 3 273.311 2.105 20 30 CEEDHN COCc1nc(C)c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)s1 ZINC000330496775 394615991 /nfs/dbraw/zinc/61/59/91/394615991.db2.gz YKMGZRJZSSFZQQ-GXSJLCMTSA-N 0 3 297.424 2.385 20 30 CEEDHN C=CCCN1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000334237982 394667541 /nfs/dbraw/zinc/66/75/41/394667541.db2.gz MEECWZGQQPZISG-UHFFFAOYSA-N 0 3 250.386 2.430 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1ccnc(C#N)c1 ZINC000330667823 394625846 /nfs/dbraw/zinc/62/58/46/394625846.db2.gz JFECAMBVYYKZHC-AWEZNQCLSA-N 0 3 272.352 2.132 20 30 CEEDHN CC(C)N(CCN1CCOCC1)Cc1ccc(C#N)cc1 ZINC000264712478 394641380 /nfs/dbraw/zinc/64/13/80/394641380.db2.gz MOOFMZYHFRXMOD-UHFFFAOYSA-N 0 3 287.407 2.101 20 30 CEEDHN COc1ccc(CN2CCC[C@@H]([C@@H](C)O)C2)cc1C#N ZINC000089931868 394651452 /nfs/dbraw/zinc/65/14/52/394651452.db2.gz DZZRXTZJYCDCHR-TZMCWYRMSA-N 0 3 274.364 2.160 20 30 CEEDHN COc1ccc(CNCC(C)(C)O)cc1OCCCC#N ZINC000111385894 394739747 /nfs/dbraw/zinc/73/97/47/394739747.db2.gz GHLZDANDKYTOBO-UHFFFAOYSA-N 0 3 292.379 2.238 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000334316288 394673964 /nfs/dbraw/zinc/67/39/64/394673964.db2.gz SGQGPOUBCBIWSI-LSDHHAIUSA-N 0 3 250.386 2.143 20 30 CEEDHN C[C@@H]1[C@H](C)N(C)CCN1CCCOc1cccc(C#N)c1 ZINC000356997688 394676365 /nfs/dbraw/zinc/67/63/65/394676365.db2.gz IVVMIECTNYUAAO-LSDHHAIUSA-N 0 3 287.407 2.352 20 30 CEEDHN C[C@@H](C1CCC1)N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000357010822 394681411 /nfs/dbraw/zinc/68/14/11/394681411.db2.gz MRRXTTZMPGMTDJ-ZDUSSCGKSA-N 0 3 285.391 2.295 20 30 CEEDHN CC(C#N)C(=O)NC1CCC2(CCOCC2)CC1 ZINC000334491927 394689556 /nfs/dbraw/zinc/68/95/56/394689556.db2.gz HMGDKVOKCPEIFE-NSHDSACASA-N 0 3 250.342 2.002 20 30 CEEDHN COC[C@](C)(CCO)NCc1ccccc1C(C)(C)C#N ZINC000268991028 394706105 /nfs/dbraw/zinc/70/61/05/394706105.db2.gz SECVTFIDPNTFPO-KRWDZBQOSA-N 0 3 290.407 2.365 20 30 CEEDHN CO[C@]1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CCOC1 ZINC000359416498 394751895 /nfs/dbraw/zinc/75/18/95/394751895.db2.gz IUOSPJYHYUNFPP-NHYWBVRUSA-N 0 3 278.327 2.153 20 30 CEEDHN Cc1cc(CCNC(=O)C(C)C#N)ccc1Cl ZINC000360621990 394803767 /nfs/dbraw/zinc/80/37/67/394803767.db2.gz RDSAEYRGPLCXKE-JTQLQIEISA-N 0 3 250.729 2.467 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000336161940 394830670 /nfs/dbraw/zinc/83/06/70/394830670.db2.gz QNTIVRPKLHSEJC-LBPRGKRZSA-N 0 3 286.379 2.425 20 30 CEEDHN C[C@@H]1CCN(C)CCN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000336284496 394839799 /nfs/dbraw/zinc/83/97/99/394839799.db2.gz PLYCZODXNPNNHX-CQSZACIVSA-N 0 3 297.402 2.142 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(CC#N)cc3)C[C@@H]21 ZINC000362011556 394841614 /nfs/dbraw/zinc/84/16/14/394841614.db2.gz RQXNPIVTCRJSNS-ZBFHGGJFSA-N 0 3 298.390 2.311 20 30 CEEDHN N#Cc1ccccc1CN1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000336326070 394844345 /nfs/dbraw/zinc/84/43/45/394844345.db2.gz FGMXJQUGOXDDNH-HOTGVXAUSA-N 0 3 283.375 2.049 20 30 CEEDHN C=CCNC(=O)NC(=O)CN(C)C1CCC(CCC)CC1 ZINC000362165100 394846721 /nfs/dbraw/zinc/84/67/21/394846721.db2.gz ULKWEVIXYWVKPM-UHFFFAOYSA-N 0 3 295.427 2.289 20 30 CEEDHN CCN1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000127676120 394851754 /nfs/dbraw/zinc/85/17/54/394851754.db2.gz IMEYDARBJDNRQA-UHFFFAOYSA-N 0 3 262.784 2.329 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000282764144 394923950 /nfs/dbraw/zinc/92/39/50/394923950.db2.gz XBZLZHVQYVDRPC-JSGCOSHPSA-N 0 3 265.401 2.291 20 30 CEEDHN C=CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338615965 394924917 /nfs/dbraw/zinc/92/49/17/394924917.db2.gz XQCLGYNFAIGPMD-ZDUSSCGKSA-N 0 3 281.787 2.428 20 30 CEEDHN CC(C)(C#N)CC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000366012765 394936205 /nfs/dbraw/zinc/93/62/05/394936205.db2.gz WRMYHKQWLPZVKE-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CC[C@H](N2CCCCC2)C1)OCC ZINC000339359310 394956342 /nfs/dbraw/zinc/95/63/42/394956342.db2.gz DWPKVZJHZKTSLD-HOTGVXAUSA-N 0 3 294.439 2.445 20 30 CEEDHN COC(=O)[C@H](C)[C@@H](NCCOCCC#N)c1ccccc1 ZINC000339041987 394938057 /nfs/dbraw/zinc/93/80/57/394938057.db2.gz DNTSJSQTYYDZLO-UKRRQHHQSA-N 0 3 290.363 2.057 20 30 CEEDHN CC#CCCN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000366415527 394944619 /nfs/dbraw/zinc/94/46/19/394944619.db2.gz JZIVENQECVJFIC-UONOGXRCSA-N 0 3 278.396 2.341 20 30 CEEDHN C[C@@H]1C[C@]2(CCO1)CN([C@@H]1CC[C@H](C#N)C1)C[C@H](C)O2 ZINC000339148365 394946470 /nfs/dbraw/zinc/94/64/70/394946470.db2.gz KAXAZEWLKJIVDG-LYYZXLFJSA-N 0 3 278.396 2.337 20 30 CEEDHN C=CCNC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285000302 394952287 /nfs/dbraw/zinc/95/22/87/394952287.db2.gz HXQGZUKXMSOGQS-GOSISDBHSA-N 0 3 299.418 2.480 20 30 CEEDHN CC#CCCN1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000155688083 395029306 /nfs/dbraw/zinc/02/93/06/395029306.db2.gz SZXGBDUWDDTZPK-AWEZNQCLSA-N 0 3 264.413 2.274 20 30 CEEDHN CN1CCN(c2ccnc(C#N)c2)C[C@@H]1Cc1ccccc1 ZINC000286835982 395029519 /nfs/dbraw/zinc/02/95/19/395029519.db2.gz YVGJZHSTYNLIDB-SFHVURJKSA-N 0 3 292.386 2.316 20 30 CEEDHN C#CCCOc1ccc(CN2CCC[C@@H](CO)C2)cc1 ZINC000154599989 395022795 /nfs/dbraw/zinc/02/27/95/395022795.db2.gz DDSWLMMZEKHZFR-MRXNPFEDSA-N 0 3 273.376 2.293 20 30 CEEDHN CC#CCCN1CCC(OC2CCOCC2)CC1 ZINC000155759145 395030140 /nfs/dbraw/zinc/03/01/40/395030140.db2.gz UUXHPSWCVSEEGW-UHFFFAOYSA-N 0 3 251.370 2.060 20 30 CEEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2CC#Cc1ccccc1 ZINC000286614050 395025398 /nfs/dbraw/zinc/02/53/98/395025398.db2.gz RRTODBQZQQFHAE-IGKNDFSCSA-N 0 3 267.372 2.393 20 30 CEEDHN CCCN(CC(=O)Nc1ccccc1C)C(=O)C(C)C#N ZINC000339912885 394974516 /nfs/dbraw/zinc/97/45/16/394974516.db2.gz XYIOWBAEWJZVIW-CYBMUJFWSA-N 0 3 287.363 2.332 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)CCC1 ZINC000372776095 395046550 /nfs/dbraw/zinc/04/65/50/395046550.db2.gz KWFYUKMGLLZNDS-KBPBESRZSA-N 0 3 262.397 2.285 20 30 CEEDHN C=C(CNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1ccccc1 ZINC000287939732 395050466 /nfs/dbraw/zinc/05/04/66/395050466.db2.gz FQPWDBOHBWSVLG-IRXDYDNUSA-N 0 3 299.418 2.435 20 30 CEEDHN CC(C)N1CC[C@H](Nc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000425215833 395052112 /nfs/dbraw/zinc/05/21/12/395052112.db2.gz OUJWKYGFORITRV-LBPRGKRZSA-N 0 3 274.324 2.361 20 30 CEEDHN C=C(CNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1 ZINC000288258187 395056721 /nfs/dbraw/zinc/05/67/21/395056721.db2.gz WQGZRNAIYVRHTH-YOEHRIQHSA-N 0 3 299.418 2.482 20 30 CEEDHN N#CCCCCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000373230487 395056789 /nfs/dbraw/zinc/05/67/89/395056789.db2.gz ULENXLGUMMOESH-CYBMUJFWSA-N 0 3 296.367 2.328 20 30 CEEDHN CCCCCCCN1CCN2C(=O)N(C)C[C@H]2C1 ZINC000373243963 395057873 /nfs/dbraw/zinc/05/78/73/395057873.db2.gz PQESQFBGVBXDSZ-ZDUSSCGKSA-N 0 3 253.390 2.008 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOCCC#N ZINC000425529054 395061798 /nfs/dbraw/zinc/06/17/98/395061798.db2.gz ALNLYIXOHZUPIX-ZDUSSCGKSA-N 0 3 257.337 2.481 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@](CO)(CCC)C1 ZINC000288836295 395067157 /nfs/dbraw/zinc/06/71/57/395067157.db2.gz OFQMEAASVZPPJS-NVXWUHKLSA-N 0 3 294.439 2.060 20 30 CEEDHN C#Cc1ccc(CN2CCC(C(=O)NCCC)CC2)cc1 ZINC000289048310 395068976 /nfs/dbraw/zinc/06/89/76/395068976.db2.gz IFRDGMQWLOZBRP-UHFFFAOYSA-N 0 3 284.403 2.406 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000426041014 395072123 /nfs/dbraw/zinc/07/21/23/395072123.db2.gz CDRGKHLKKMLCSW-HZSPNIEDSA-N 0 3 277.412 2.362 20 30 CEEDHN C#C[C@@H](NCc1ccc(N(C)CCOC)nc1)C(C)(C)C ZINC000289247159 395072738 /nfs/dbraw/zinc/07/27/38/395072738.db2.gz ASBSKUIIRCABSM-OAHLLOKOSA-N 0 3 289.423 2.302 20 30 CEEDHN C#C[C@@H](C)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000289339601 395076180 /nfs/dbraw/zinc/07/61/80/395076180.db2.gz HRJJSOIAKNWPHZ-GFCCVEGCSA-N 0 3 264.332 2.070 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000345918965 395082498 /nfs/dbraw/zinc/08/24/98/395082498.db2.gz BBHKPFLFJKCWFY-VGWMRTNUSA-N 0 3 294.439 2.347 20 30 CEEDHN C=C[C@H](CO)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000289643040 395082798 /nfs/dbraw/zinc/08/27/98/395082798.db2.gz FUHUXBPJIPWTIO-GXSJLCMTSA-N 0 3 257.280 2.486 20 30 CEEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000289784856 395086265 /nfs/dbraw/zinc/08/62/65/395086265.db2.gz MWUKOTJXHMLXJR-OCCSQVGLSA-N 0 3 257.337 2.070 20 30 CEEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000289940937 395091549 /nfs/dbraw/zinc/09/15/49/395091549.db2.gz VXGODFRJAWZYRL-NWDGAFQWSA-N 0 3 265.353 2.210 20 30 CEEDHN C[C@@H](CN(C)C)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000346225319 395092198 /nfs/dbraw/zinc/09/21/98/395092198.db2.gz OECDTPOWUMLJRP-ZFWWWQNUSA-N 0 3 273.380 2.140 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000290288683 395098114 /nfs/dbraw/zinc/09/81/14/395098114.db2.gz MQGMDNWJNSYOMT-JYJNAYRXSA-N 0 3 298.390 2.465 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000290288683 395098118 /nfs/dbraw/zinc/09/81/18/395098118.db2.gz MQGMDNWJNSYOMT-JYJNAYRXSA-N 0 3 298.390 2.465 20 30 CEEDHN CC#CCCNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416200915 395030761 /nfs/dbraw/zinc/03/07/61/395030761.db2.gz QIJAPPFODBJUKD-HNNXBMFYSA-N 0 3 258.365 2.209 20 30 CEEDHN CC[C@H](CC#N)NC(=O)CCN1CCc2ccccc2C1 ZINC000416201095 395031481 /nfs/dbraw/zinc/03/14/81/395031481.db2.gz DXMDRCGKSCGKFR-MRXNPFEDSA-N 0 3 285.391 2.243 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000290288686 395098688 /nfs/dbraw/zinc/09/86/88/395098688.db2.gz MQGMDNWJNSYOMT-PMPSAXMXSA-N 0 3 298.390 2.465 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000290288686 395098692 /nfs/dbraw/zinc/09/86/92/395098692.db2.gz MQGMDNWJNSYOMT-PMPSAXMXSA-N 0 3 298.390 2.465 20 30 CEEDHN C[C@H](c1ccccc1)[C@H](C)NCC(=O)NC1(C#N)CCC1 ZINC000346932470 395113207 /nfs/dbraw/zinc/11/32/07/395113207.db2.gz BDXMWBSFGJSKGL-KBPBESRZSA-N 0 3 285.391 2.331 20 30 CEEDHN CC[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000347018694 395117115 /nfs/dbraw/zinc/11/71/15/395117115.db2.gz VWAYRGWWKOKCDW-CQSZACIVSA-N 0 3 271.364 2.290 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000290463858 395104303 /nfs/dbraw/zinc/10/43/03/395104303.db2.gz YLOSCHDKWNBEJM-OAHLLOKOSA-N 0 3 268.376 2.400 20 30 CEEDHN CC(=O)N1CC[C@@H](NCCCC#N)c2ccccc2C1 ZINC000346806632 395108630 /nfs/dbraw/zinc/10/86/30/395108630.db2.gz BWWFQJQOVOYZEZ-MRXNPFEDSA-N 0 3 271.364 2.373 20 30 CEEDHN CS[C@@H]1CN(Cc2cccc(F)c2C#N)C[C@@H]1N(C)C ZINC000428308288 395144617 /nfs/dbraw/zinc/14/46/17/395144617.db2.gz ZLJAENJPPNAZDY-LSDHHAIUSA-N 0 3 293.411 2.175 20 30 CEEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1CN(C)C(=O)O1 ZINC000496439527 395155414 /nfs/dbraw/zinc/15/54/14/395155414.db2.gz ARJKBJQDRZPDGK-HNNXBMFYSA-N 0 3 287.363 2.219 20 30 CEEDHN CN(C[C@H](O)C(F)(F)F)CC(C)(C)CCC#N ZINC000349404161 395167156 /nfs/dbraw/zinc/16/71/56/395167156.db2.gz FKIMVMALGMAPDE-VIFPVBQESA-N 0 3 252.280 2.171 20 30 CEEDHN C=CC[C@H](CO)CNCc1nn(CC)c2ccccc12 ZINC000349568428 395170847 /nfs/dbraw/zinc/17/08/47/395170847.db2.gz LNMNPVSPWRFSGO-ZDUSSCGKSA-N 0 3 273.380 2.330 20 30 CEEDHN C=CC[C@H](CO)CNCc1ccc([N+](=O)[O-])cc1C ZINC000350049001 395179044 /nfs/dbraw/zinc/17/90/44/395179044.db2.gz NUQOIMCUCKFVCF-LBPRGKRZSA-N 0 3 264.325 2.177 20 30 CEEDHN C=CCN(CC)C[C@H](O)COc1ccc(CCOC)cc1 ZINC000293293361 395227411 /nfs/dbraw/zinc/22/74/11/395227411.db2.gz ZBHYBBIXHUPQLE-INIZCTEOSA-N 0 3 293.407 2.123 20 30 CEEDHN C#CCNC(=O)CCN(C)Cc1csc2ccccc12 ZINC000293315652 395227547 /nfs/dbraw/zinc/22/75/47/395227547.db2.gz CBLQRRHJKYODED-UHFFFAOYSA-N 0 3 286.400 2.473 20 30 CEEDHN C=C(C)CCN[C@](C)(CC(=O)OC)c1ccccn1 ZINC000351826471 395236911 /nfs/dbraw/zinc/23/69/11/395236911.db2.gz KGORNVWNRLMVBC-OAHLLOKOSA-N 0 3 262.353 2.416 20 30 CEEDHN Cc1ccc([C@@H](C)NCCC(=O)N(C)CCC#N)cc1 ZINC000182346236 395240747 /nfs/dbraw/zinc/24/07/47/395240747.db2.gz NOWZDFCBZCZJGL-CQSZACIVSA-N 0 3 273.380 2.408 20 30 CEEDHN CN(C)[C@H](CNC[C@@H](C#N)CCC#N)c1ccc(F)cc1 ZINC000519636989 395199758 /nfs/dbraw/zinc/19/97/58/395199758.db2.gz IMRIIKXRCDUHDZ-CZUORRHYSA-N 0 3 288.370 2.462 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C(C)C)C(C)C ZINC000180452575 395203569 /nfs/dbraw/zinc/20/35/69/395203569.db2.gz GHSUKVPANCWUID-CYBMUJFWSA-N 0 3 253.390 2.113 20 30 CEEDHN CC(C)[C@H](O)CN(C)CCOCc1ccc(C#N)cc1 ZINC000433190241 395207849 /nfs/dbraw/zinc/20/78/49/395207849.db2.gz UGZXLBZKYXWGBK-MRXNPFEDSA-N 0 3 276.380 2.024 20 30 CEEDHN C#CCNC(=O)CCN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000292921001 395211013 /nfs/dbraw/zinc/21/10/13/395211013.db2.gz YBMNMMVWDPKUCE-ZIAGYGMSSA-N 0 3 274.364 2.192 20 30 CEEDHN C[C@@H](CCC#N)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000411305623 395324689 /nfs/dbraw/zinc/32/46/89/395324689.db2.gz DODVUWJMYTUHRU-RYUDHWBXSA-N 0 3 252.358 2.342 20 30 CEEDHN C[C@@H](CCC#N)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000411305622 395324798 /nfs/dbraw/zinc/32/47/98/395324798.db2.gz DODVUWJMYTUHRU-NWDGAFQWSA-N 0 3 252.358 2.342 20 30 CEEDHN C=CCCCCCN(C)C(=O)C(N)C(F)(F)F ZINC000352959890 395281690 /nfs/dbraw/zinc/28/16/90/395281690.db2.gz OYGIDIPPMKJWMJ-SECBINFHSA-N 0 3 252.280 2.081 20 30 CEEDHN COc1ccc(CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1C#N ZINC000527805169 395281868 /nfs/dbraw/zinc/28/18/68/395281868.db2.gz UOBJGXLZLKJMLZ-BUWBCJGYSA-N 0 3 274.364 2.468 20 30 CEEDHN CC(C)[C@H]1CCN1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000353019030 395284104 /nfs/dbraw/zinc/28/41/04/395284104.db2.gz BCVWRPZCORDRCS-NVXWUHKLSA-N 0 3 288.391 2.223 20 30 CEEDHN COC(=O)C[C@@H]1CCCN1Cc1ccc(C#N)cc1C ZINC000186309874 395288322 /nfs/dbraw/zinc/28/83/22/395288322.db2.gz WKRLFGVRIJKYKS-HNNXBMFYSA-N 0 3 272.348 2.394 20 30 CEEDHN Cc1cc(C#N)ccc1CN(C)C1(C(N)=O)CCCC1 ZINC000186313262 395289187 /nfs/dbraw/zinc/28/91/87/395289187.db2.gz CBJBZIFEOJIIQI-UHFFFAOYSA-N 0 3 271.364 2.097 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCN(C2CC2)C1 ZINC000353284325 395292996 /nfs/dbraw/zinc/29/29/96/395292996.db2.gz BHWAZWGQWZZGHI-INIZCTEOSA-N 0 3 255.365 2.227 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@H]2CCC[C@@H]2C1 ZINC000408246786 395295590 /nfs/dbraw/zinc/29/55/90/395295590.db2.gz OYFAVKSVZFMDSV-IXYNUQLISA-N 0 3 277.412 2.161 20 30 CEEDHN COC[C@@H](NCc1ccc(C#N)cc1F)C1CCOCC1 ZINC000187974726 395310091 /nfs/dbraw/zinc/31/00/91/395310091.db2.gz TYLNCKRMXPUWNM-MRXNPFEDSA-N 0 3 292.354 2.229 20 30 CEEDHN CCOC(=O)CC1CCN([C@@H](C)CCC#N)CC1 ZINC000411171830 395320867 /nfs/dbraw/zinc/32/08/67/395320867.db2.gz YCLAJGLCOMGJDN-LBPRGKRZSA-N 0 3 252.358 2.344 20 30 CEEDHN CCCN(CCC)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000411168114 395321041 /nfs/dbraw/zinc/32/10/41/395321041.db2.gz PPHQWQOBFMHNBX-LBPRGKRZSA-N 0 3 251.374 2.059 20 30 CEEDHN C=CCSCCNC(=O)N1CCCC12CCN(C)CC2 ZINC000352489552 395260295 /nfs/dbraw/zinc/26/02/95/395260295.db2.gz BHGIOPLDSCMNOT-UHFFFAOYSA-N 0 3 297.468 2.175 20 30 CEEDHN C[C@@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)[C@@H](C)[C@H]1C ZINC000419375456 395266100 /nfs/dbraw/zinc/26/61/00/395266100.db2.gz RNCFAZTYMBYJLH-YXMPFFBPSA-N 0 3 271.364 2.061 20 30 CEEDHN C=CCOCCCN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000352904477 395275696 /nfs/dbraw/zinc/27/56/96/395275696.db2.gz UXIACUGVEPSZKX-GFCCVEGCSA-N 0 3 281.318 2.358 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000412380432 395357069 /nfs/dbraw/zinc/35/70/69/395357069.db2.gz QZRATJRYNNOPBN-LXFSFDBISA-N 0 3 280.412 2.098 20 30 CEEDHN COc1cccc([C@@H]2C[C@H]2CNC(=O)C(C)C#N)c1 ZINC000412871278 395368977 /nfs/dbraw/zinc/36/89/77/395368977.db2.gz DRUAIQHBVCEUKZ-JKOKRWQUSA-N 0 3 258.321 2.075 20 30 CEEDHN CCC[C@H]1CN([C@@H](C)CCC#N)CCN1CCOC ZINC000411416570 395328496 /nfs/dbraw/zinc/32/84/96/395328496.db2.gz CULGMQFUQUPLON-GJZGRUSLSA-N 0 3 267.417 2.111 20 30 CEEDHN COC[C@]1(CO)CCN(CCC2(C#N)CCCCC2)C1 ZINC000411804465 395338971 /nfs/dbraw/zinc/33/89/71/395338971.db2.gz RCFDXKZKLMYEGI-MRXNPFEDSA-N 0 3 280.412 2.181 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCSC2(CCC2)CC1 ZINC000411864345 395340558 /nfs/dbraw/zinc/34/05/58/395340558.db2.gz DRKGWSFQWAUZGV-LBPRGKRZSA-N 0 3 268.426 2.039 20 30 CEEDHN Cc1cc(C(=O)NC[C@H]2CCN2C2CCCC2)ncc1C#N ZINC000530021591 395453535 /nfs/dbraw/zinc/45/35/35/395453535.db2.gz ABHSCWPOHWCEFX-OAHLLOKOSA-N 0 3 298.390 2.008 20 30 CEEDHN CSC[C@@](C)(O)CNCc1ccc(C#N)c(C)c1 ZINC000443984852 395408311 /nfs/dbraw/zinc/40/83/11/395408311.db2.gz GLCFVNOJQNRSIG-AWEZNQCLSA-N 0 3 264.394 2.070 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)nc1 ZINC000566413969 395520239 /nfs/dbraw/zinc/52/02/39/395520239.db2.gz KFDQZVAQLNPQLJ-MAUKXSAKSA-N 0 3 296.418 2.402 20 30 CEEDHN CC[C@H]1[C@H](C)CCN1Cc1cnc2c(C#N)cnn2c1 ZINC000567888795 395539316 /nfs/dbraw/zinc/53/93/16/395539316.db2.gz RLFDFIWZCPCUSS-RISCZKNCSA-N 0 3 269.352 2.221 20 30 CEEDHN N#Cc1cnn2cc(CNCCC3CC(F)(F)C3)cnc12 ZINC000567888438 395539705 /nfs/dbraw/zinc/53/97/05/395539705.db2.gz FQZPGGNNLXXQBM-UHFFFAOYSA-N 0 3 291.305 2.126 20 30 CEEDHN CCN(C)C(=O)[C@@H](N[C@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000449442476 395548870 /nfs/dbraw/zinc/54/88/70/395548870.db2.gz ZBEITVVTPMSGFR-RDBSUJKOSA-N 0 3 265.401 2.161 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnn(CC(F)(F)F)c1 ZINC000449547653 395554204 /nfs/dbraw/zinc/55/42/04/395554204.db2.gz JIFUDODDVSEMPF-NEPJUHHUSA-N 0 3 289.301 2.269 20 30 CEEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)s1 ZINC000449580338 395555894 /nfs/dbraw/zinc/55/58/94/395555894.db2.gz PHDZJLSDNRDQET-OLZOCXBDSA-N 0 3 278.377 2.441 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC[C@H](C#N)CCC#N ZINC000572870501 395592213 /nfs/dbraw/zinc/59/22/13/395592213.db2.gz RMHRCRWGYKSRMK-KFWWJZLASA-N 0 3 262.401 2.282 20 30 CEEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)cn2)C12CCC2 ZINC000573872404 395622036 /nfs/dbraw/zinc/62/20/36/395622036.db2.gz RTGZDOJXTJZKAX-GJZGRUSLSA-N 0 3 271.364 2.391 20 30 CEEDHN CC1(F)CC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000452278590 395626255 /nfs/dbraw/zinc/62/62/55/395626255.db2.gz SWFQDAXMJLYNMC-HLIUYOAVSA-N 0 3 285.322 2.247 20 30 CEEDHN CNC(=O)C[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000453370248 395627972 /nfs/dbraw/zinc/62/79/72/395627972.db2.gz NFTCFQOYUOTNHC-ABAIWWIYSA-N 0 3 271.364 2.050 20 30 CEEDHN CN(C)CCN(Cc1cccc(F)c1)c1ccnc(C#N)n1 ZINC000574652463 395634473 /nfs/dbraw/zinc/63/44/73/395634473.db2.gz ZAJSYUQQQIVYFJ-UHFFFAOYSA-N 0 3 299.353 2.056 20 30 CEEDHN CCC1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000457280881 395635805 /nfs/dbraw/zinc/63/58/05/395635805.db2.gz RRJFOKVOHHJQPV-HNNXBMFYSA-N 0 3 267.332 2.109 20 30 CEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)NCC(C)(C)C#N ZINC000458665528 395660265 /nfs/dbraw/zinc/66/02/65/395660265.db2.gz VXOGVEHJCOFKJM-AWEZNQCLSA-N 0 3 294.443 2.346 20 30 CEEDHN CC(C)[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CCN1C ZINC000487999405 395667769 /nfs/dbraw/zinc/66/77/69/395667769.db2.gz ADKRVIDQSVDJGG-INIZCTEOSA-N 0 3 275.371 2.469 20 30 CEEDHN C[C@@H]1C[C@H]1CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000488295188 395668292 /nfs/dbraw/zinc/66/82/92/395668292.db2.gz LQJVUBNRYVZQDD-PBHICJAKSA-N 0 3 269.392 2.332 20 30 CEEDHN COCCN(Cc1ccc(C#N)c(C)c1)[C@H]1CCO[C@H]1C ZINC000489433643 395668568 /nfs/dbraw/zinc/66/85/68/395668568.db2.gz KLMBJAMQDGSVSA-YOEHRIQHSA-N 0 3 288.391 2.493 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC2(CC1)OCc1ccccc12 ZINC000649351470 396126655 /nfs/dbraw/zinc/12/66/55/396126655.db2.gz GCJOVNMGPQHZIR-INIZCTEOSA-N 0 3 273.376 2.445 20 30 CEEDHN C=C(C)CN(C)Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000649578293 396196945 /nfs/dbraw/zinc/19/69/45/396196945.db2.gz LRRQOSZYLMZKMS-UHFFFAOYSA-N 0 3 294.420 2.135 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000649829360 396270101 /nfs/dbraw/zinc/27/01/01/396270101.db2.gz HHAUMBMKICJLCQ-ROUUACIJSA-N 0 3 288.435 2.172 20 30 CEEDHN C=CCC[C@@H](O)CN[C@@]1(CO)CCCc2ccccc21 ZINC000281659650 400319546 /nfs/dbraw/zinc/31/95/46/400319546.db2.gz KQVOBOZRMGSAGF-NVXWUHKLSA-N 0 3 275.392 2.127 20 30 CEEDHN C=CCC[C@H](O)CN[C@]1(CO)CCCc2ccccc21 ZINC000281659653 400319635 /nfs/dbraw/zinc/31/96/35/400319635.db2.gz KQVOBOZRMGSAGF-RDJZCZTQSA-N 0 3 275.392 2.127 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cc(F)c(OC)cc1OC ZINC000651747498 401382265 /nfs/dbraw/zinc/38/22/65/401382265.db2.gz GFJDDKBZRYSCBH-LLVKDONJSA-N 0 3 283.343 2.117 20 30 CEEDHN CC(C)CC[C@](C)(O)CNCc1cc(C#N)n(C)c1 ZINC000191173009 153160213 /nfs/dbraw/zinc/16/02/13/153160213.db2.gz BSXPFOYMTHDHDP-HNNXBMFYSA-N 0 3 263.385 2.174 20 30 CEEDHN Cn1ccnc1CC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191340908 153167156 /nfs/dbraw/zinc/16/71/56/153167156.db2.gz ANOJAQPPABWCMF-UHFFFAOYSA-N 0 3 297.406 2.085 20 30 CEEDHN CN(Cc1cccc(C#N)c1F)C[C@@H]1CCCN1C ZINC000221985642 153310495 /nfs/dbraw/zinc/31/04/95/153310495.db2.gz OIKUANKCGSOAKZ-AWEZNQCLSA-N 0 3 261.344 2.223 20 30 CEEDHN N#Cc1cccnc1N1CCC[C@H](N2CCCCC2)C1 ZINC000363396391 156026420 /nfs/dbraw/zinc/02/64/20/156026420.db2.gz SADPDQNQAJUHHR-HNNXBMFYSA-N 0 3 270.380 2.408 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC2(CCO2)CC1 ZINC000367092253 156131259 /nfs/dbraw/zinc/13/12/59/156131259.db2.gz DHOUIRULIVVGDQ-UHFFFAOYSA-N 0 3 272.348 2.192 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@H]21 ZINC000368596246 156372974 /nfs/dbraw/zinc/37/29/74/156372974.db2.gz UQDAIZWYVGAQGT-DLBZAZTESA-N 0 3 297.402 2.043 20 30 CEEDHN CS(=O)(=O)C1(CN[C@@H]2CCC[C@@H](C#N)C2)CCCC1 ZINC000353948692 286587133 /nfs/dbraw/zinc/58/71/33/286587133.db2.gz WMZRSUSNUFKWHG-CHWSQXEVSA-N 0 3 284.425 2.016 20 30 CEEDHN COc1ccc(CN[C@@H]2Cc3ccccc3[C@@H]2O)cc1C#N ZINC000174400759 165103347 /nfs/dbraw/zinc/10/33/47/165103347.db2.gz UMHUQNJAJLJQNN-AEFFLSMTSA-N 0 3 294.354 2.315 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)NCCN1CCCCC1 ZINC000178554686 165247714 /nfs/dbraw/zinc/24/77/14/165247714.db2.gz KQLRMLMKAURYMF-UHFFFAOYSA-N 0 3 286.379 2.474 20 30 CEEDHN Cn1nccc1CCNC1(c2cccc(C#N)c2)CC1 ZINC000284536665 196078688 /nfs/dbraw/zinc/07/86/88/196078688.db2.gz XAWDWANGUDGXTD-UHFFFAOYSA-N 0 3 266.348 2.113 20 30 CEEDHN CN(C)C1(CN(C)C(=O)c2ccc(F)c(C#N)c2)CCC1 ZINC000285159862 196209907 /nfs/dbraw/zinc/20/99/07/196209907.db2.gz ZCAGGRYGZZFBDK-UHFFFAOYSA-N 0 3 289.354 2.254 20 30 CEEDHN CN(CCOc1ccccc1C#N)[C@H]1CCSC1 ZINC000037174828 173009805 /nfs/dbraw/zinc/00/98/05/173009805.db2.gz SLIUENXYQDBEPB-ZDUSSCGKSA-N 0 3 262.378 2.374 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CC(F)F ZINC000662842399 414770129 /nfs/dbraw/zinc/77/01/29/414770129.db2.gz NVHFZHBRGWCQTQ-GMTAPVOTSA-N 0 3 260.328 2.220 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@H](CC)[C@H]1CCCCO1 ZINC000653881317 414773964 /nfs/dbraw/zinc/77/39/64/414773964.db2.gz WCTUBDAEONLTHC-HUUCEWRRSA-N 0 3 280.412 2.124 20 30 CEEDHN C=CCCCCCNC(=O)Nc1cnn(CCN(C)C)c1 ZINC000654013084 414818032 /nfs/dbraw/zinc/81/80/32/414818032.db2.gz RLDMCYYQVSTTTE-UHFFFAOYSA-N 0 3 293.415 2.313 20 30 CEEDHN C=C(C)COCCNCc1cc(C(F)(F)F)nn1C ZINC000657399602 414912679 /nfs/dbraw/zinc/91/26/79/414912679.db2.gz RUTBAFAYMCRDDC-UHFFFAOYSA-N 0 3 277.290 2.121 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)C[C@H]2CC2(C)C)CC1 ZINC000660703640 414940605 /nfs/dbraw/zinc/94/06/05/414940605.db2.gz FPSQXAQYFNQPEZ-CYBMUJFWSA-N 0 3 279.428 2.324 20 30 CEEDHN C=C(C)CN1CCC(NCc2cn(C3CCC3)nn2)CC1 ZINC000657352257 414879268 /nfs/dbraw/zinc/87/92/68/414879268.db2.gz HIDIPJYSJJEGMY-UHFFFAOYSA-N 0 3 289.427 2.133 20 30 CEEDHN C=CCCn1cc(CNCC(C2CC2)C2CC2)nn1 ZINC000657377300 414897877 /nfs/dbraw/zinc/89/78/77/414897877.db2.gz BWPBCEFLXCNGGA-UHFFFAOYSA-N 0 3 260.385 2.380 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1c(C(F)(F)F)cnn1C ZINC000657495198 414973397 /nfs/dbraw/zinc/97/33/97/414973397.db2.gz IQSJBCNFNCPOIW-CABZTGNLSA-N 0 3 289.301 2.120 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000660886012 415020333 /nfs/dbraw/zinc/02/03/33/415020333.db2.gz CSUYJECYNOZFDH-LZWOXQAQSA-N 0 3 291.439 2.467 20 30 CEEDHN C=CCN(C(=O)N[C@@H](CC(C)C)CN(C)C)[C@H](C)COC ZINC000663693741 415018535 /nfs/dbraw/zinc/01/85/35/415018535.db2.gz RJWMEFZZXUBRNY-CABCVRRESA-N 0 3 299.459 2.195 20 30 CEEDHN C=CCC1(NCc2cc3n(n2)CCCC3)CCOCC1 ZINC000657634525 415031020 /nfs/dbraw/zinc/03/10/20/415031020.db2.gz MCHPGNIQFDNBCL-UHFFFAOYSA-N 0 3 275.396 2.434 20 30 CEEDHN C=CCCn1cc(CN2CCC[C@H]2[C@H]2CCCOC2)nn1 ZINC000653775280 415099984 /nfs/dbraw/zinc/09/99/84/415099984.db2.gz USFCQEUWXJZIDU-HOCLYGCPSA-N 0 3 290.411 2.245 20 30 CEEDHN COC[C@H](NCC#Cc1ccc(F)cc1)C1CCOCC1 ZINC000661157527 415115018 /nfs/dbraw/zinc/11/50/18/415115018.db2.gz HQNLTWTXBZIDPF-KRWDZBQOSA-N 0 3 291.366 2.208 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@@H]3CCCC[C@@H]32)CC1 ZINC000664019946 415124419 /nfs/dbraw/zinc/12/44/19/415124419.db2.gz OOJLKWUBPHEEHY-ZFWWWQNUSA-N 0 3 277.412 2.221 20 30 CEEDHN C=CCn1cc(CN[C@H]2[C@@H]3CCC[C@@H]3C2(C)C)nn1 ZINC000658036659 415170690 /nfs/dbraw/zinc/17/06/90/415170690.db2.gz ACAOSJBUNDRQTR-RDBSUJKOSA-N 0 3 260.385 2.378 20 30 CEEDHN N#Cc1cccc(NC(=O)NCCN2CCCCC2)c1 ZINC000045208871 175328920 /nfs/dbraw/zinc/32/89/20/175328920.db2.gz DGDTVKDBUGYSGU-UHFFFAOYSA-N 0 3 272.352 2.166 20 30 CEEDHN C=CC[C@@H]1CCCN(C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000661383423 415236660 /nfs/dbraw/zinc/23/66/60/415236660.db2.gz CVJXEPYDOZUVCX-KGLIPLIRSA-N 0 3 271.426 2.099 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC(C3CCC3)CC2)C1=O ZINC000661374110 415227730 /nfs/dbraw/zinc/22/77/30/415227730.db2.gz IXEVLNHTHYNBSD-OAHLLOKOSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCNC(=O)CN1CC[C@@H](C2CCCCC2)C1 ZINC000661586911 415341454 /nfs/dbraw/zinc/34/14/54/415341454.db2.gz WPEKAXMZJLBUDT-CQSZACIVSA-N 0 3 250.386 2.191 20 30 CEEDHN C=C(C)CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659041338 415395981 /nfs/dbraw/zinc/39/59/81/415395981.db2.gz HLXAOTTZXWEBNY-AWEZNQCLSA-N 0 3 275.352 2.045 20 30 CEEDHN C=C(C)CN1CCC(N[C@@H]2CCCn3ccnc32)CC1 ZINC000655713279 415403339 /nfs/dbraw/zinc/40/33/39/415403339.db2.gz WZLGJBPQMGKBQF-OAHLLOKOSA-N 0 3 274.412 2.348 20 30 CEEDHN C=CCNC(=O)CN1CCC(C)(C)CC(C)(C)C1 ZINC000661628756 415370363 /nfs/dbraw/zinc/37/03/63/415370363.db2.gz VQPHPHYBNRZVPT-UHFFFAOYSA-N 0 3 252.402 2.437 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000664810254 415484185 /nfs/dbraw/zinc/48/41/85/415484185.db2.gz MVQDLBFZRXKIGR-CHWSQXEVSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCCCNC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000664785161 415478824 /nfs/dbraw/zinc/47/88/24/415478824.db2.gz PSPUURQBMDFPOW-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)N[C@@H]2CCN(CCC)C2)C1 ZINC000661945245 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/nfs/dbraw/zinc/67/14/92/415671492.db2.gz CYRNHQJRUUEEEU-GFCCVEGCSA-N 0 3 291.391 2.475 20 30 CEEDHN C=C(CC)Cn1cc(-c2cccc(NC(=O)CNC)c2)nn1 ZINC000656452227 415711595 /nfs/dbraw/zinc/71/15/95/415711595.db2.gz CSCUHOMCDKGFPU-UHFFFAOYSA-N 0 3 299.378 2.069 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)[C@]2(N)C[C@@H](OCC)C2(C)C)C1 ZINC000662629518 415911596 /nfs/dbraw/zinc/91/15/96/415911596.db2.gz DUXORKXEMGTNGJ-CKEIUWERSA-N 0 3 294.439 2.334 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@@H](OC)[C@@H]1CCOC1 ZINC000660223598 415930628 /nfs/dbraw/zinc/93/06/28/415930628.db2.gz DXAPWXXFGSBHDH-GDBMZVCRSA-N 0 3 279.380 2.362 20 30 CEEDHN CN1CC[C@@H](CNc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000078835799 177396269 /nfs/dbraw/zinc/39/62/69/177396269.db2.gz ZJJZYRAFBHOLHP-VIFPVBQESA-N 0 3 284.285 2.336 20 30 CEEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C(C)C#N ZINC000344744758 225149073 /nfs/dbraw/zinc/14/90/73/225149073.db2.gz XTLJAFAYNWJHKE-VHSXEESVSA-N 0 3 262.357 2.283 20 30 CEEDHN CC(C#N)C(=O)NCCc1c[nH]c2ccc(F)cc12 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ZINC000334142085 227333010 /nfs/dbraw/zinc/33/30/10/227333010.db2.gz MUOFHTSDKOSROB-CQSZACIVSA-N 0 3 297.402 2.447 20 30 CEEDHN CCc1nnc(C)cc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000329803390 227953546 /nfs/dbraw/zinc/95/35/46/227953546.db2.gz ZQGOSPRGAFBTRX-NWDGAFQWSA-N 0 3 276.384 2.135 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)N[C@H]1CCN(CCC)C1 ZINC000666923121 419478272 /nfs/dbraw/zinc/47/82/72/419478272.db2.gz FBRUFWHYXDDWGL-KBPBESRZSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCCNC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000666283339 419612883 /nfs/dbraw/zinc/61/28/83/419612883.db2.gz QRURKLNVZLRJAB-UHFFFAOYSA-N 0 3 291.399 2.156 20 30 CEEDHN CC#CCN(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000297353210 260118616 /nfs/dbraw/zinc/11/86/16/260118616.db2.gz TXVJBIQJHMDYFV-KRWDZBQOSA-N 0 3 299.418 2.316 20 30 CEEDHN C=CCN(CC=C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000298722641 260161768 /nfs/dbraw/zinc/16/17/68/260161768.db2.gz MYLCECDJSHQOGS-AWEZNQCLSA-N 0 3 265.401 2.102 20 30 CEEDHN CS[C@H](CO)[C@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC000127226783 260361780 /nfs/dbraw/zinc/36/17/80/260361780.db2.gz TWEGTLSNDILGKB-LKGAJIBZSA-N 0 3 290.432 2.312 20 30 CEEDHN N#C[C@H]1CC[C@H](NCCNc2ccc3ccccc3n2)C1 ZINC000518298158 260370409 /nfs/dbraw/zinc/37/04/09/260370409.db2.gz MEHKFPSHRSYMPY-ZFWWWQNUSA-N 0 3 280.375 2.350 20 30 CEEDHN N#CC1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCC1 ZINC000128885324 260379665 /nfs/dbraw/zinc/37/96/65/260379665.db2.gz PAUUBAONBDPLLB-UHFFFAOYSA-N 0 3 297.402 2.461 20 30 CEEDHN CC(C)NC(=O)CCNC1CC(C#N)(c2ccccc2)C1 ZINC000128906012 260379834 /nfs/dbraw/zinc/37/98/34/260379834.db2.gz KRVWGCLWQDOBLU-UHFFFAOYSA-N 0 3 285.391 2.115 20 30 CEEDHN N#CCCCCN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444729731 261138448 /nfs/dbraw/zinc/13/84/48/261138448.db2.gz HLKIUNVAXDUCLE-GHMZBOCLSA-N 0 3 264.291 2.315 20 30 CEEDHN C#CCN(Cc1ccccc1)C[C@@H](O)CCOC(C)C ZINC000491072579 261319064 /nfs/dbraw/zinc/31/90/64/261319064.db2.gz TUMWHNPEGJKZDQ-KRWDZBQOSA-N 0 3 275.392 2.298 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CC[C@H]2CCCO2)CC1 ZINC000106036645 261320752 /nfs/dbraw/zinc/32/07/52/261320752.db2.gz KPPLUQVVLDCIGX-OAHLLOKOSA-N 0 3 280.412 2.102 20 30 CEEDHN C[C@@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1ccc(C#N)cc1F ZINC000453347369 269845269 /nfs/dbraw/zinc/84/52/69/269845269.db2.gz BYTRXUXQTAHVMI-ADEWGFFLSA-N 0 3 275.327 2.002 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](Cc2ccncc2)C1 ZINC000364045951 262120022 /nfs/dbraw/zinc/12/00/22/262120022.db2.gz OQAOYCQLEIDKTH-KRWDZBQOSA-N 0 3 299.418 2.147 20 30 CEEDHN C=CCCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](N)C1 ZINC000364177970 262180616 /nfs/dbraw/zinc/18/06/16/262180616.db2.gz BXKBFYKHLXBZKG-UONOGXRCSA-N 0 3 262.328 2.045 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NCc2cccnc2-n2ccnc2)C1 ZINC000192654415 262207216 /nfs/dbraw/zinc/20/72/16/262207216.db2.gz AHEPBTJTFNSTHQ-DZGCQCFKSA-N 0 3 281.363 2.439 20 30 CEEDHN CN(C)C/C=C\C(=O)Nc1ccc(Cl)cc1CC#N ZINC000493197063 262265909 /nfs/dbraw/zinc/26/59/09/262265909.db2.gz YFDPRKALRHIZMC-ARJAWSKDSA-N 0 3 277.755 2.462 20 30 CEEDHN CC(C)(C#N)CCCCN1CCC[C@@]2(CNC(=O)O2)C1 ZINC000365190134 262283118 /nfs/dbraw/zinc/28/31/18/262283118.db2.gz BJEOSWXNUAYTTK-OAHLLOKOSA-N 0 3 279.384 2.281 20 30 CEEDHN N#CC(C(=O)c1cn2c(n1)CCC2)c1nc2ccccc2[nH]1 ZINC000521434148 262336538 /nfs/dbraw/zinc/33/65/38/262336538.db2.gz DEKUHGUILOWCGU-SNVBAGLBSA-N 0 3 291.314 2.196 20 30 CEEDHN CC1(C#N)CCN([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000272512401 263005705 /nfs/dbraw/zinc/00/57/05/263005705.db2.gz GGARYMOCAYASHV-LSDHHAIUSA-N 0 3 256.349 2.270 20 30 CEEDHN C=CCCN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000276501525 263037018 /nfs/dbraw/zinc/03/70/18/263037018.db2.gz WGISSMZFTIVFAE-CYBMUJFWSA-N 0 3 263.385 2.225 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCSCC2)cc1 ZINC000279200298 263053648 /nfs/dbraw/zinc/05/36/48/263053648.db2.gz APRCUCYTXWXFQN-CQSZACIVSA-N 0 3 299.399 2.252 20 30 CEEDHN CC[C@@H]1C[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281748358 263071583 /nfs/dbraw/zinc/07/15/83/263071583.db2.gz HODCLVZLBHZQNY-QLFBSQMISA-N 0 3 267.332 2.155 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000285094339 263090051 /nfs/dbraw/zinc/09/00/51/263090051.db2.gz SVUICFCJCGULKM-GDBMZVCRSA-N 0 3 273.380 2.345 20 30 CEEDHN N#CCSCCCN1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340206816 263093285 /nfs/dbraw/zinc/09/32/85/263093285.db2.gz VWGSPWGOMHXAGA-WDEREUQCSA-N 0 3 296.358 2.411 20 30 CEEDHN COc1ccc([C@H](CN(C)C)NC(=O)CCCC#N)cc1 ZINC000291402067 263122198 /nfs/dbraw/zinc/12/21/98/263122198.db2.gz HBZSKMJUXXPJMR-HNNXBMFYSA-N 0 3 289.379 2.108 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC2(CC2)CC1 ZINC000366688758 263129245 /nfs/dbraw/zinc/12/92/45/263129245.db2.gz SIAWRAAMZZCIGA-AWEZNQCLSA-N 0 3 262.397 2.452 20 30 CEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H]1C ZINC000294093630 263155951 /nfs/dbraw/zinc/15/59/51/263155951.db2.gz MJXPEYLALMIYKQ-LALPHHSUSA-N 0 3 267.332 2.107 20 30 CEEDHN C=CCSCCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000341104302 263322425 /nfs/dbraw/zinc/32/24/25/263322425.db2.gz TTWFWIXBDGUNSA-AWEZNQCLSA-N 0 3 297.468 2.175 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cnn(-c2ccc(F)cc2)c1 ZINC000341326221 263331177 /nfs/dbraw/zinc/33/11/77/263331177.db2.gz WOZFVXXSBYBKOO-CYBMUJFWSA-N 0 3 289.354 2.286 20 30 CEEDHN C=CCOc1ccc(CNCCc2cnccn2)cc1OC ZINC000341351062 263332406 /nfs/dbraw/zinc/33/24/06/263332406.db2.gz JQAYITHYGPSKEZ-UHFFFAOYSA-N 0 3 299.374 2.382 20 30 CEEDHN C=CC[C@@H](CO)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000341378500 263334748 /nfs/dbraw/zinc/33/47/48/263334748.db2.gz PYVQACDEBZLYLX-CYBMUJFWSA-N 0 3 264.325 2.177 20 30 CEEDHN CCC(CC)[C@H](NCC(=O)NCC#N)c1cccs1 ZINC000341588737 263343778 /nfs/dbraw/zinc/34/37/78/263343778.db2.gz FEKWONHKKGCKBW-AWEZNQCLSA-N 0 3 279.409 2.455 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000342007418 263377220 /nfs/dbraw/zinc/37/72/20/263377220.db2.gz SQLIRKWZPCQXOY-GXTWGEPZSA-N 0 3 270.442 2.142 20 30 CEEDHN N#Cc1ccc(OCCNCc2cnc(C3CC3)nc2)cc1 ZINC000459409551 269966337 /nfs/dbraw/zinc/96/63/37/269966337.db2.gz BTKQSXLURBENRK-UHFFFAOYSA-N 0 3 294.358 2.394 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)C1(C#N)CCCC1 ZINC000330720053 264024172 /nfs/dbraw/zinc/02/41/72/264024172.db2.gz BGNDMEMLAPUWBP-CQSZACIVSA-N 0 3 277.412 2.451 20 30 CEEDHN CCc1cc(C(=O)NC2CCN(CC)CC2)cc(=O)[nH]1 ZINC000330755845 264030486 /nfs/dbraw/zinc/03/04/86/264030486.db2.gz ZAEIXSBSUNLKHT-UHFFFAOYSA-N 0 3 277.368 2.139 20 30 CEEDHN CSc1c(C(=O)NCCN2CCCC[C@H]2C)cnn1C ZINC000331072982 264114248 /nfs/dbraw/zinc/11/42/48/264114248.db2.gz JSDXIZFQQDBCLG-LLVKDONJSA-N 0 3 296.440 2.321 20 30 CEEDHN Cc1cc(F)cc(C(=O)NC[C@H]2CCCCN2CCO)c1 ZINC000331318197 264189218 /nfs/dbraw/zinc/18/92/18/264189218.db2.gz JWZQRBISJZCYKK-OAHLLOKOSA-N 0 3 294.370 2.286 20 30 CEEDHN C=CCNC(=O)CN[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000180033934 264390144 /nfs/dbraw/zinc/39/01/44/264390144.db2.gz NGZDEWYHIFLKKV-HNNXBMFYSA-N 0 3 275.396 2.096 20 30 CEEDHN C#CCCOc1ccc(CN2CC[C@@](C)(O)C2)cc1 ZINC000180193581 264393392 /nfs/dbraw/zinc/39/33/92/264393392.db2.gz GXGRBAHBZSJDJG-MRXNPFEDSA-N 0 3 259.349 2.045 20 30 CEEDHN CCC(CC)(CNC(=O)C(C)C#N)C(=O)OC(C)(C)C ZINC000424958330 264397564 /nfs/dbraw/zinc/39/75/64/264397564.db2.gz VYNHVSUHOYDILB-LLVKDONJSA-N 0 3 282.384 2.410 20 30 CEEDHN C=CCOc1cccc(NC(=O)C[C@@H]2CSCCN2)c1 ZINC000132640391 264398366 /nfs/dbraw/zinc/39/83/66/264398366.db2.gz NIQBYKRZXRCWNI-CYBMUJFWSA-N 0 3 292.404 2.285 20 30 CEEDHN C[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)N1[C@H](C)CC[C@@H]1C ZINC000424975508 264404886 /nfs/dbraw/zinc/40/48/86/264404886.db2.gz HWRQMKDZXFLVCF-ZUWCUPBKSA-N 0 3 263.385 2.056 20 30 CEEDHN C#CCCCN[C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280722843 264459875 /nfs/dbraw/zinc/45/98/75/264459875.db2.gz FYPJCZWIPHHGGQ-GOEBONIOSA-N 0 3 293.432 2.472 20 30 CEEDHN C[C@H]1[C@@H](C(F)(F)F)CCN1CCC(=O)N(C)CCC#N ZINC000348242413 265147730 /nfs/dbraw/zinc/14/77/30/265147730.db2.gz JZAKEZFEGNDRIL-QWRGUYRKSA-N 0 3 291.317 2.021 20 30 CEEDHN CCC1(CNCCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000233015373 266015999 /nfs/dbraw/zinc/01/59/99/266015999.db2.gz GZLRMOSPJVYXOQ-UHFFFAOYSA-N 0 3 292.404 2.112 20 30 CEEDHN C=C[C@@H](CO)NC1CC(c2cc(F)cc(F)c2)C1 ZINC000356255693 266082307 /nfs/dbraw/zinc/08/23/07/266082307.db2.gz IUYQKJNNMKFYBW-AWAWDMARSA-N 0 3 253.292 2.347 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](C)C2(CCC2)C1 ZINC000357021395 266232860 /nfs/dbraw/zinc/23/28/60/266232860.db2.gz HHRAXZNGBIAVMU-ZIAGYGMSSA-N 0 3 277.412 2.259 20 30 CEEDHN COCC1(NC(=O)C(C#N)CCc2ccccc2)CCC1 ZINC000357183744 266260915 /nfs/dbraw/zinc/26/09/15/266260915.db2.gz GQMCBTUAYSAALR-OAHLLOKOSA-N 0 3 286.375 2.444 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)COC2CCCC2)CC1 ZINC000357582112 266330974 /nfs/dbraw/zinc/33/09/74/266330974.db2.gz NHMASXIRLMJKNK-UHFFFAOYSA-N 0 3 280.412 2.102 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)C(C)C#N ZINC000357802573 266368204 /nfs/dbraw/zinc/36/82/04/266368204.db2.gz KQTVZTFBKQZTDV-LBPRGKRZSA-N 0 3 258.321 2.369 20 30 CEEDHN CC(C#N)C(=O)NCCCn1ccc2ccccc21 ZINC000357836022 266374643 /nfs/dbraw/zinc/37/46/43/266374643.db2.gz UEBJURNOSMZDBH-LBPRGKRZSA-N 0 3 255.321 2.307 20 30 CEEDHN C=CCOCC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000357885211 266382884 /nfs/dbraw/zinc/38/28/84/266382884.db2.gz ZNFQOSGPYYBNJK-WMLDXEAASA-N 0 3 290.407 2.305 20 30 CEEDHN N#CCCCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000360030781 266671068 /nfs/dbraw/zinc/67/10/68/266671068.db2.gz AZWROLOTKDYMKV-UHFFFAOYSA-N 0 3 277.412 2.405 20 30 CEEDHN CCN(CCNC(=O)/C=C\c1cccc(C#N)c1)C1CC1 ZINC000491533455 267063675 /nfs/dbraw/zinc/06/36/75/267063675.db2.gz PSFABHXQOOGTOR-TWGQIWQCSA-N 0 3 283.375 2.172 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2cccc(F)c2C#N)CN1C1CC1 ZINC000190185199 267081878 /nfs/dbraw/zinc/08/18/78/267081878.db2.gz NVYFLTJGAISUSA-GHMZBOCLSA-N 0 3 287.338 2.052 20 30 CEEDHN CCOC(=O)N1CC[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000495997294 267124478 /nfs/dbraw/zinc/12/44/78/267124478.db2.gz DBMLRMRFVQOARE-GDBMZVCRSA-N 0 3 299.374 2.366 20 30 CEEDHN C=CC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000368238911 267153087 /nfs/dbraw/zinc/15/30/87/267153087.db2.gz CVNOGSYUNRXKDZ-RISCZKNCSA-N 0 3 256.365 2.280 20 30 CEEDHN CC[C@@H](NC(COC)COC)c1ccc(C#N)cc1 ZINC000453368387 267194807 /nfs/dbraw/zinc/19/48/07/267194807.db2.gz XSMLUECLXGXXSB-OAHLLOKOSA-N 0 3 262.353 2.260 20 30 CEEDHN CC#CCCN1C[C@H](CC)O[C@]2(CCCOC2)C1 ZINC000369803475 267267615 /nfs/dbraw/zinc/26/76/15/267267615.db2.gz BBXYWSNNEHPQDC-LSDHHAIUSA-N 0 3 251.370 2.060 20 30 CEEDHN CN(C(=O)/C=C\c1ccc(C#N)cc1)[C@@H]1CN2CCC1CC2 ZINC000491791600 267270479 /nfs/dbraw/zinc/27/04/79/267270479.db2.gz FZIMCBHEYNRCQZ-JTGQJZMRSA-N 0 3 295.386 2.124 20 30 CEEDHN C#CCCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1N(C)C ZINC000369857368 267272045 /nfs/dbraw/zinc/27/20/45/267272045.db2.gz GRAVWQUKHYCIPA-SJORKVTESA-N 0 3 299.418 2.317 20 30 CEEDHN CN(C)CCSCC(=O)Nc1cc(Cl)ccc1C#N ZINC000446566249 267281497 /nfs/dbraw/zinc/28/14/97/267281497.db2.gz RYAGDTNHYGMEDR-UHFFFAOYSA-N 0 3 297.811 2.445 20 30 CEEDHN C=C[C@@H](C)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000119311269 267321787 /nfs/dbraw/zinc/32/17/87/267321787.db2.gz MVVVQOXNMWOYEG-NEPJUHHUSA-N 0 3 282.409 2.162 20 30 CEEDHN C=CCC[C@@H](O)CN1CC[C@@H](Oc2ccccc2)C1 ZINC000370494962 267324161 /nfs/dbraw/zinc/32/41/61/267324161.db2.gz NIYAZJGCKZTTJK-GDBMZVCRSA-N 0 3 261.365 2.467 20 30 CEEDHN C[C@H](CNC(=O)c1ccc(C#N)o1)N1CCC[C@H](C)C1 ZINC000429829217 267823681 /nfs/dbraw/zinc/82/36/81/267823681.db2.gz HENTUYPQDISCAW-NWDGAFQWSA-N 0 3 275.352 2.001 20 30 CEEDHN Cc1ccc(NC[C@@H]2N(C)CCCC2(C)C)nc1C#N ZINC000447810393 268026188 /nfs/dbraw/zinc/02/61/88/268026188.db2.gz INJBNURLYURKSV-AWEZNQCLSA-N 0 3 272.396 2.216 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000376909007 268028507 /nfs/dbraw/zinc/02/85/07/268028507.db2.gz AMPKMWUJEDEZDC-SGMGOOAPSA-N 0 3 291.420 2.062 20 30 CEEDHN C=CCC[C@@H](O)CN1CCCN(c2cncc(F)c2)CC1 ZINC000377239171 268058248 /nfs/dbraw/zinc/05/82/48/268058248.db2.gz MCXFYKGSEZATCB-MRXNPFEDSA-N 0 3 293.386 2.060 20 30 CEEDHN N#Cc1c(F)cccc1CN[C@@H]1CCC[C@H]1CCO ZINC000428984704 268164826 /nfs/dbraw/zinc/16/48/26/268164826.db2.gz ILCKHXOYRVHUPJ-XHDPSFHLSA-N 0 3 262.328 2.338 20 30 CEEDHN N#Cc1ccc(C(=O)N[C@H]2CCN(C3CCCC3)C2)s1 ZINC000531151614 268203868 /nfs/dbraw/zinc/20/38/68/268203868.db2.gz IBYAWOWIZMMBPL-NSHDSACASA-N 0 3 289.404 2.366 20 30 CEEDHN N#Cc1ccc(CNCCCC2(O)CCC2)c(F)c1 ZINC000421376382 268231937 /nfs/dbraw/zinc/23/19/37/268231937.db2.gz QDBMRGNUUMAGAD-UHFFFAOYSA-N 0 3 262.328 2.482 20 30 CEEDHN N#Cc1ccc([C@@H](NCC(C2CC2)C2CC2)C(N)=O)cc1 ZINC000525758407 268262584 /nfs/dbraw/zinc/26/25/84/268262584.db2.gz BIWAGEHMNQCGCR-MRXNPFEDSA-N 0 3 283.375 2.110 20 30 CEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(C#N)o1 ZINC000429801468 271344562 /nfs/dbraw/zinc/34/45/62/271344562.db2.gz MBTHYDNRUUMWGX-VXGBXAGGSA-N 0 3 275.352 2.001 20 30 CEEDHN N#Cc1cc2c(nc1N1CC[C@@H](N3CCCC3)C1)CCC2 ZINC000071138532 274921559 /nfs/dbraw/zinc/92/15/59/274921559.db2.gz ZMGSJDRUADFOJZ-OAHLLOKOSA-N 0 3 282.391 2.116 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)C1CCN(C2CC2)CC1 ZINC000335761184 275438533 /nfs/dbraw/zinc/43/85/33/275438533.db2.gz VTTJXOCHAQPYEL-AWEZNQCLSA-N 0 3 262.397 2.428 20 30 CEEDHN CC#CCCNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000354113253 275754189 /nfs/dbraw/zinc/75/41/89/275754189.db2.gz SJMYDJBPCQETEM-AWEZNQCLSA-N 0 3 250.386 2.027 20 30 CEEDHN C[C@H](CCN[C@@H]1CCC[C@@H]1C#N)N[C@H]1CCC[C@H]1C#N ZINC000332269446 278173975 /nfs/dbraw/zinc/17/39/75/278173975.db2.gz CDVRPFNUGRWVQX-LJIZCISZSA-N 0 3 274.412 2.329 20 30 CEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(C#N)cc1 ZINC000285875792 278968501 /nfs/dbraw/zinc/96/85/01/278968501.db2.gz QODCBVOEZMSROX-CJNGLKHVSA-N 0 3 283.375 2.257 20 30 CEEDHN C[C@H](CO[C@H]1CCOC1)N[C@H](C)c1ccc(C#N)cc1 ZINC000246281391 280285234 /nfs/dbraw/zinc/28/52/34/280285234.db2.gz KAKPAMDVOCJDCC-IOASZLSFSA-N 0 3 274.364 2.403 20 30 CEEDHN Cc1cc(C#N)cc(NC[C@H](c2ccccc2)N(C)C)n1 ZINC000339976985 280313527 /nfs/dbraw/zinc/31/35/27/280313527.db2.gz OYDHXVKTKWTQMJ-MRXNPFEDSA-N 0 3 280.375 2.398 20 30 CEEDHN CC(C)C[C@H](C)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000155053135 289162862 /nfs/dbraw/zinc/16/28/62/289162862.db2.gz VWMYJDUYSSHOEP-SMDDNHRTSA-N 0 3 259.353 2.109 20 30 CEEDHN N#Cc1ccc(CNCCc2cccc([N+](=O)[O-])c2)o1 ZINC000158008907 289226355 /nfs/dbraw/zinc/22/63/55/289226355.db2.gz XLSZLWIFWGPESR-UHFFFAOYSA-N 0 3 271.276 2.392 20 30 CEEDHN N#Cc1cncnc1NC1CCN(Cc2ccccc2)CC1 ZINC000309779168 289277354 /nfs/dbraw/zinc/27/73/54/289277354.db2.gz DKODTFQNOCYXKK-UHFFFAOYSA-N 0 3 293.374 2.425 20 30 CEEDHN CN1CC[C@H]2CCN(c3ccc(F)cc3C#N)C[C@@H]21 ZINC000364311147 290233612 /nfs/dbraw/zinc/23/36/12/290233612.db2.gz VTWRHAMCTDERQL-NHYWBVRUSA-N 0 3 259.328 2.228 20 30 CEEDHN N#Cc1ccc(NC(=O)CNC2(C3CC3)CC2)cc1 ZINC000541595718 298281121 /nfs/dbraw/zinc/28/11/21/298281121.db2.gz XMQPZGWRMUKUPC-UHFFFAOYSA-N 0 3 255.321 2.029 20 30 CEEDHN C[C@H](NC1(C2CC2)CC1)C(=O)Nc1cccc(C#N)c1 ZINC000542526662 298292672 /nfs/dbraw/zinc/29/26/72/298292672.db2.gz PKEKFSAOBQONCK-NSHDSACASA-N 0 3 269.348 2.417 20 30 CEEDHN COC[C@H](N[C@H](C)C(=O)Nc1ccccc1C#N)C(C)C ZINC000543453551 298309320 /nfs/dbraw/zinc/30/93/20/298309320.db2.gz OMZIWZZOPSPJLS-DOMZBBRYSA-N 0 3 289.379 2.146 20 30 CEEDHN CN(C)[C@H](CNc1ccncc1C#N)c1cccc(F)c1 ZINC000545240238 298332157 /nfs/dbraw/zinc/33/21/57/298332157.db2.gz FHQOCGLQMYFFNX-MRXNPFEDSA-N 0 3 284.338 2.229 20 30 CEEDHN CC1(C)CC(CN[C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000548031152 298386091 /nfs/dbraw/zinc/38/60/91/298386091.db2.gz SXNHYHQBTPKHCQ-AWEZNQCLSA-N 0 3 271.364 2.110 20 30 CEEDHN C[C@H](CN1CCCC1=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000037782181 298555615 /nfs/dbraw/zinc/55/56/15/298555615.db2.gz CGWSPDZPJZFRBO-CHWSQXEVSA-N 0 3 271.364 2.220 20 30 CEEDHN CC(C)(C)[C@@H](CCO)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565043886 298872125 /nfs/dbraw/zinc/87/21/25/298872125.db2.gz JLCFBNLBSADHPM-CQSZACIVSA-N 0 3 291.351 2.353 20 30 CEEDHN CN1CCC(Oc2ccc(CNCCC#N)cc2)CC1 ZINC000570922397 327634236 /nfs/dbraw/zinc/63/42/36/327634236.db2.gz TXNRBVTUBOPZMO-UHFFFAOYSA-N 0 3 273.380 2.163 20 30 CEEDHN CN(C)CCN(C(=O)Cc1cccc(C#N)c1)C1CCCC1 ZINC000531153654 313317427 /nfs/dbraw/zinc/31/74/27/313317427.db2.gz ISITYXFUIJVFGD-UHFFFAOYSA-N 0 3 299.418 2.434 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCCNC(=O)C1CC1 ZINC000564809722 313776625 /nfs/dbraw/zinc/77/66/25/313776625.db2.gz FZRVRXUTVBEZEL-QGZVFWFLSA-N 0 3 297.402 2.442 20 30 CEEDHN CC1(C)CCCN1CCNc1ncc2c(c1C#N)CCC2 ZINC000576032036 314234518 /nfs/dbraw/zinc/23/45/18/314234518.db2.gz BVIYTQMCKJOWHH-UHFFFAOYSA-N 0 3 284.407 2.150 20 30 CEEDHN CC[C@H]1C[C@@H](C)CN1Cc1cnc2c(C#N)cnn2c1 ZINC000576584475 314290485 /nfs/dbraw/zinc/29/04/85/314290485.db2.gz IZZZOWQIDQYLGU-RISCZKNCSA-N 0 3 269.352 2.221 20 30 CEEDHN Cc1cc(CN[C@@H]2CC(=O)N3CCCC[C@H]23)ccc1C#N ZINC000578526174 314490693 /nfs/dbraw/zinc/49/06/93/314490693.db2.gz XPPYZKKMNGHPQC-HZPDHXFCSA-N 0 3 283.375 2.110 20 30 CEEDHN C=CCOCCN1CCC(C(C)(C)C(=O)OCC)CC1 ZINC000339190549 328000772 /nfs/dbraw/zinc/00/07/72/328000772.db2.gz XRGITUQGUPNDPX-UHFFFAOYSA-N 0 3 283.412 2.490 20 30 CEEDHN C=CCNC(=O)CN1CCCC[C@@H]1Cc1ccccc1 ZINC000339732202 328019002 /nfs/dbraw/zinc/01/90/02/328019002.db2.gz UYDWYZZIVAGHDY-MRXNPFEDSA-N 0 3 272.392 2.386 20 30 CEEDHN CCc1ccccc1[C@@H](N)CNC(=O)C1(C#N)CCCC1 ZINC000563337929 328054790 /nfs/dbraw/zinc/05/47/90/328054790.db2.gz GSPCITNTLMKCQB-HNNXBMFYSA-N 0 3 285.391 2.449 20 30 CEEDHN N#CC1(c2ccccn2)CCN(C[C@H]2CCCC[C@H]2O)CC1 ZINC000571289312 328098513 /nfs/dbraw/zinc/09/85/13/328098513.db2.gz XJBLLOGZONHBJU-HZPDHXFCSA-N 0 3 299.418 2.490 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000412089258 328103215 /nfs/dbraw/zinc/10/32/15/328103215.db2.gz YHHJZRBQEWGWGG-UPJWGTAASA-N 0 3 282.428 2.249 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC(CC)CC)CC1 ZINC000171740640 329079881 /nfs/dbraw/zinc/07/98/81/329079881.db2.gz KLBUPNGFMXTMDL-UHFFFAOYSA-N 0 3 267.417 2.372 20 30 CEEDHN CSCCCON=C(N)c1ccc(CN(C)C)cc1 ZINC000267038647 328172144 /nfs/dbraw/zinc/17/21/44/328172144.db2.gz YDMXNVFKMUNBKZ-UHFFFAOYSA-N 0 3 281.425 2.138 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1[C@@H](C)CCC1(C)C ZINC000452003294 328210002 /nfs/dbraw/zinc/21/00/02/328210002.db2.gz GBQQEHUWFCYYCK-OLZOCXBDSA-N 0 3 265.401 2.257 20 30 CEEDHN CN(C)Cc1cccc(CNC(=O)CC(C)(C)C#N)c1 ZINC000278843061 328230930 /nfs/dbraw/zinc/23/09/30/328230930.db2.gz RRAFXUMEYWVYGP-UHFFFAOYSA-N 0 3 273.380 2.304 20 30 CEEDHN C[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000580956774 322357566 /nfs/dbraw/zinc/35/75/66/322357566.db2.gz FOAOWAZBBVWBHH-SMDDNHRTSA-N 0 3 289.335 2.371 20 30 CEEDHN Cc1cc(NCCN2CC=C(C)CC2)cc(C#N)n1 ZINC000557633163 327017841 /nfs/dbraw/zinc/01/78/41/327017841.db2.gz YMOMZFQNLPWBOO-UHFFFAOYSA-N 0 3 256.353 2.326 20 30 CEEDHN CCN1CCC(NC(=O)NCC(C)(C)CCC#N)CC1 ZINC000558366127 327088853 /nfs/dbraw/zinc/08/88/53/327088853.db2.gz TYBVYZMAYQHWHQ-UHFFFAOYSA-N 0 3 280.416 2.100 20 30 CEEDHN COC(=O)CC1(CN2CCC(CCC#N)CC2)CC1 ZINC000564916527 327142585 /nfs/dbraw/zinc/14/25/85/327142585.db2.gz ZGPRZDDFLQZNGZ-UHFFFAOYSA-N 0 3 264.369 2.345 20 30 CEEDHN C=C(C)CCNC(=O)N1CCc2ccccc2[C@H]1CN ZINC000564938077 327195992 /nfs/dbraw/zinc/19/59/92/327195992.db2.gz OOPSCTHUTNGLFW-OAHLLOKOSA-N 0 3 273.380 2.220 20 30 CEEDHN C[C@@H]1CC[C@@H](NCCn2cnc(C#N)n2)c2sccc21 ZINC000584274104 327206320 /nfs/dbraw/zinc/20/63/20/327206320.db2.gz LDBUXWSXZLIJMG-ZYHUDNBSSA-N 0 3 287.392 2.439 20 30 CEEDHN CN(C)C[C@@H](Cc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000559603250 327255160 /nfs/dbraw/zinc/25/51/60/327255160.db2.gz HHWAIZZKXHAVOT-IAGOWNOFSA-N 0 3 284.407 2.192 20 30 CEEDHN C=C(CC)CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000459084531 331269725 /nfs/dbraw/zinc/26/97/25/331269725.db2.gz ULFYGBPTKJNFSO-CHWSQXEVSA-N 0 3 253.390 2.077 20 30 CEEDHN N#CCCC1CCN(Cc2cnc(N)s2)CC1 ZINC000564973422 327297395 /nfs/dbraw/zinc/29/73/95/327297395.db2.gz JSPOKTVVVRDORB-UHFFFAOYSA-N 0 3 250.371 2.071 20 30 CEEDHN N#CCCCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000360362014 328906135 /nfs/dbraw/zinc/90/61/35/328906135.db2.gz HAMMYYMRXMVXAP-UHFFFAOYSA-N 0 3 263.385 2.157 20 30 CEEDHN CN1CC[C@H](NC(=O)CC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000377574741 329019390 /nfs/dbraw/zinc/01/93/90/329019390.db2.gz XWSURKPTQALCRW-HOCLYGCPSA-N 0 3 285.391 2.488 20 30 CEEDHN C#Cc1ccc(CN[C@@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000377613681 329020262 /nfs/dbraw/zinc/02/02/62/329020262.db2.gz FFCWZVBLRUFTDL-MSOLQXFVSA-N 0 3 263.340 2.416 20 30 CEEDHN C=CCCCC(=O)N1CCCC12CCN(C)CC2 ZINC000378332014 329046356 /nfs/dbraw/zinc/04/63/56/329046356.db2.gz ACJIHCWGDKXHNJ-UHFFFAOYSA-N 0 3 250.386 2.430 20 30 CEEDHN CN(C)Cc1ccc(CNC[C@@H](C#N)CCC#N)cc1 ZINC000582681584 329127902 /nfs/dbraw/zinc/12/79/02/329127902.db2.gz FFYJQMSLFMWNDE-MRXNPFEDSA-N 0 3 270.380 2.281 20 30 CEEDHN C=CCCCN(C)C(=O)NCCCNCc1cccnc1 ZINC000418345408 329183235 /nfs/dbraw/zinc/18/32/35/329183235.db2.gz SXQWLGMTODLFFA-UHFFFAOYSA-N 0 3 290.411 2.169 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C)[C@H]2C)CC1 ZINC000178669637 329201955 /nfs/dbraw/zinc/20/19/55/329201955.db2.gz PAOHSNBIOIJCSD-QWHCGFSZSA-N 0 3 265.401 2.077 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000185128190 329268505 /nfs/dbraw/zinc/26/85/05/329268505.db2.gz XHWSKXKYUVRKIB-KBPBESRZSA-N 0 3 252.402 2.437 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000186015010 329336046 /nfs/dbraw/zinc/33/60/46/329336046.db2.gz YHCWZLDURNJHKK-OAHLLOKOSA-N 0 3 299.418 2.014 20 30 CEEDHN COc1ccc(CNCc2ccc(CC#N)cc2)cn1 ZINC000399139845 329448765 /nfs/dbraw/zinc/44/87/65/329448765.db2.gz UPFQFQKGBWFTAH-UHFFFAOYSA-N 0 3 267.332 2.446 20 30 CEEDHN C=C(C)CCN[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000419221780 329712176 /nfs/dbraw/zinc/71/21/76/329712176.db2.gz KEVYDWLZHOFDSQ-ZDUSSCGKSA-N 0 3 279.384 2.458 20 30 CEEDHN C[C@@H](CNC(=O)NCC1(C#N)CCC1)N1CCC(C)CC1 ZINC000419452888 329730634 /nfs/dbraw/zinc/73/06/34/329730634.db2.gz WVSCJIYHIMOCJV-AWEZNQCLSA-N 0 3 292.427 2.100 20 30 CEEDHN C[C@@H]1CCC[C@@]1(O)CNC(=N)Nc1cc(F)ccc1F ZINC000263099938 330043479 /nfs/dbraw/zinc/04/34/79/330043479.db2.gz JUPTVOZPEAZSTQ-YMTOWFKASA-N 0 3 283.322 2.243 20 30 CEEDHN C#CCN(CCC(=O)NCc1ccccc1Cl)C1CC1 ZINC000274180587 330103238 /nfs/dbraw/zinc/10/32/38/330103238.db2.gz OTLKAUKHDOHBNH-UHFFFAOYSA-N 0 3 290.794 2.444 20 30 CEEDHN C#CCN(C(=O)NC[C@H](c1ccc(C)cc1)N(C)C)C1CC1 ZINC000274162881 330103525 /nfs/dbraw/zinc/10/35/25/330103525.db2.gz VFJHXQPBJFTXHV-QGZVFWFLSA-N 0 3 299.418 2.405 20 30 CEEDHN CCN(CCOc1ccccc1C)C(=O)C(C)C#N ZINC000421970495 330111239 /nfs/dbraw/zinc/11/12/39/330111239.db2.gz QJRXZVMACSYVOJ-ZDUSSCGKSA-N 0 3 260.337 2.382 20 30 CEEDHN C=CCOc1ccc(CNC[C@H]2CCCC(=O)N2)cc1 ZINC000433178763 330170780 /nfs/dbraw/zinc/17/07/80/330170780.db2.gz VLOOOPWYKRCCTQ-CQSZACIVSA-N 0 3 274.364 2.010 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccccc1)C1CC1 ZINC000424068756 330219852 /nfs/dbraw/zinc/21/98/52/330219852.db2.gz NWZXGVKKFWGRRN-OAHLLOKOSA-N 0 3 271.364 2.199 20 30 CEEDHN CCOc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424075974 330220845 /nfs/dbraw/zinc/22/08/45/330220845.db2.gz KQZLBYXMGAVNBD-ZDUSSCGKSA-N 0 3 261.325 2.045 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(OC(F)F)c1 ZINC000424079545 330221434 /nfs/dbraw/zinc/22/14/34/330221434.db2.gz GKDYMOFCYXRPTB-LLVKDONJSA-N 0 3 283.278 2.248 20 30 CEEDHN CCOc1ccc(CN(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000424080668 330221850 /nfs/dbraw/zinc/22/18/50/330221850.db2.gz TUIUIIMFJYLBAW-OAHLLOKOSA-N 0 3 289.379 2.065 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCCc1ccc(Cl)cc1 ZINC000424084047 330222738 /nfs/dbraw/zinc/22/27/38/330222738.db2.gz YCEXBQQBENFCSV-CYBMUJFWSA-N 0 3 279.771 2.020 20 30 CEEDHN CCCC[C@H](CC)CNC(=O)[C@@H](N)CCCC#N ZINC000424081789 330223471 /nfs/dbraw/zinc/22/34/71/330223471.db2.gz VRIYANFXMALHGG-STQMWFEESA-N 0 3 253.390 2.340 20 30 CEEDHN CC(C)C[C@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424081970 330223607 /nfs/dbraw/zinc/22/36/07/330223607.db2.gz AWANTHIJWUROFL-CHWSQXEVSA-N 0 3 251.374 2.045 20 30 CEEDHN C[C@H](c1ccccc1F)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424104938 330234067 /nfs/dbraw/zinc/23/40/67/330234067.db2.gz VIOVSTVHXDNGTQ-RISCZKNCSA-N 0 3 277.343 2.366 20 30 CEEDHN CC(C)[C@@H]1CCCCN1C(=O)[C@@H](N)CCCC#N ZINC000424131722 330263871 /nfs/dbraw/zinc/26/38/71/330263871.db2.gz VJKACIAMSZYGIE-STQMWFEESA-N 0 3 251.374 2.045 20 30 CEEDHN COc1ccc(N(C)C(=O)[C@@H](N)CCCC#N)cc1Cl ZINC000424117792 330244104 /nfs/dbraw/zinc/24/41/04/330244104.db2.gz BWCFTOLCGFBUIC-LBPRGKRZSA-N 0 3 295.770 2.333 20 30 CEEDHN Cc1cccc(C(C)(C)NC(=O)[C@H](N)CCCC#N)c1 ZINC000424121115 330251241 /nfs/dbraw/zinc/25/12/41/330251241.db2.gz HYPIOXFUPYTFDK-CQSZACIVSA-N 0 3 273.380 2.368 20 30 CEEDHN COc1cccc(F)c1[C@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424123786 330256210 /nfs/dbraw/zinc/25/62/10/330256210.db2.gz LIVPJOIPKFKJHO-JQWIXIFHSA-N 0 3 293.342 2.033 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCCc1cc2ccccc2o1 ZINC000424126938 330259425 /nfs/dbraw/zinc/25/94/25/330259425.db2.gz PIZRDVOMSLYYOX-CQSZACIVSA-N 0 3 285.347 2.113 20 30 CEEDHN C[C@@H](CNC(=O)[C@@H](N)CCCC#N)Cc1cccs1 ZINC000424128898 330259898 /nfs/dbraw/zinc/25/98/98/330259898.db2.gz RPJMONLBHVNDGC-YPMHNXCESA-N 0 3 279.409 2.064 20 30 CEEDHN CC(C)[C@H]1CCCCN1C(=O)[C@@H](N)CCCC#N ZINC000424131721 330263976 /nfs/dbraw/zinc/26/39/76/330263976.db2.gz VJKACIAMSZYGIE-QWHCGFSZSA-N 0 3 251.374 2.045 20 30 CEEDHN CC(C)[C@@H]1CCCCN1C(=O)[C@H](N)CCCC#N ZINC000424131718 330264015 /nfs/dbraw/zinc/26/40/15/330264015.db2.gz VJKACIAMSZYGIE-OLZOCXBDSA-N 0 3 251.374 2.045 20 30 CEEDHN Cc1cccnc1[C@@H](NC(=O)[C@@H](N)CCCC#N)C(C)C ZINC000424150933 330296939 /nfs/dbraw/zinc/29/69/39/330296939.db2.gz ZYOBKYCZDVUWOY-KBPBESRZSA-N 0 3 288.395 2.225 20 30 CEEDHN CCC[C@H](C)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424163891 330308261 /nfs/dbraw/zinc/30/82/61/330308261.db2.gz AXGXADXBWIXKBP-IHRRRGAJSA-N 0 3 265.401 2.435 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000424173730 330313751 /nfs/dbraw/zinc/31/37/51/330313751.db2.gz LRTCHQGEWNJDSJ-ZDUSSCGKSA-N 0 3 284.319 2.301 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(-c2cc[nH]n2)o1 ZINC000424175322 330315347 /nfs/dbraw/zinc/31/53/47/330315347.db2.gz PMYBOACOUDRPIH-FZMZJTMJSA-N 0 3 273.336 2.350 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000424179506 330318580 /nfs/dbraw/zinc/31/85/80/330318580.db2.gz YNKUWHLBYJZKKO-JSGCOSHPSA-N 0 3 262.309 2.276 20 30 CEEDHN CN(C(=O)[C@@H](N)CCCC#N)C1C2CC3CC(C2)CC1C3 ZINC000424190585 330323143 /nfs/dbraw/zinc/32/31/43/330323143.db2.gz MRTBUYXQUCCIHX-CGAUPDFVSA-N 0 3 289.423 2.291 20 30 CEEDHN C=CCn1cc(CN[C@@H](C)CCCc2cccnc2)nn1 ZINC000424299928 330336879 /nfs/dbraw/zinc/33/68/79/330336879.db2.gz WHTBZUVYZMCURJ-AWEZNQCLSA-N 0 3 285.395 2.360 20 30 CEEDHN C=CCC1(C(=O)N[C@@H](CC(C)C)CN(C)C)CCOCC1 ZINC000424620234 330428205 /nfs/dbraw/zinc/42/82/05/330428205.db2.gz OHYHUDSSJSZYPF-HNNXBMFYSA-N 0 3 296.455 2.452 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC23CCCC3)CC1 ZINC000428586276 330528268 /nfs/dbraw/zinc/52/82/68/330528268.db2.gz FTNJFBCPRIRSSN-CQSZACIVSA-N 0 3 277.412 2.269 20 30 CEEDHN COC(=O)COc1ccc(CNCC2(CC#N)CC2)cc1 ZINC000430757205 330573376 /nfs/dbraw/zinc/57/33/76/330573376.db2.gz OFJSBKYGZYLPDJ-UHFFFAOYSA-N 0 3 288.347 2.022 20 30 CEEDHN C[C@@H](CC#N)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000431774566 330588927 /nfs/dbraw/zinc/58/89/27/330588927.db2.gz SUZPKKKKVQWJTR-GXTWGEPZSA-N 0 3 259.353 2.098 20 30 CEEDHN COc1ccc(OCCN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442634676 330777726 /nfs/dbraw/zinc/77/77/26/330777726.db2.gz HIIDFNBKIYNXFV-CHWSQXEVSA-N 0 3 260.337 2.356 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C(C)C)C2)CC1 ZINC000445890072 330841184 /nfs/dbraw/zinc/84/11/84/330841184.db2.gz KQPQHXAEQNFCEK-CQSZACIVSA-N 0 3 279.428 2.324 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)[C@]2(C#N)C[C@@H]2C)N(C)C)cc1 ZINC000448809364 330884394 /nfs/dbraw/zinc/88/43/94/330884394.db2.gz FQTVYBKUGMDPHF-QRTARXTBSA-N 0 3 285.391 2.264 20 30 CEEDHN C=CCC[C@H](CO)NCc1cc(C(=O)OC)c(CC)o1 ZINC000449700017 330944759 /nfs/dbraw/zinc/94/47/59/330944759.db2.gz RZNBGZHWGWYGGP-LLVKDONJSA-N 0 3 281.352 2.045 20 30 CEEDHN C[C@H](NCCOCCC#N)c1ccc([N+](=O)[O-])cc1 ZINC000451101141 331015571 /nfs/dbraw/zinc/01/55/71/331015571.db2.gz AKSXATGTTMREIQ-NSHDSACASA-N 0 3 263.297 2.176 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCCCCCO ZINC000451517593 331032164 /nfs/dbraw/zinc/03/21/64/331032164.db2.gz NPIREMDJBODJQK-HNNXBMFYSA-N 0 3 274.364 2.038 20 30 CEEDHN OC[C@H]([C@H](NCC#Cc1ccccc1)C1CC1)C1CC1 ZINC000451592471 331035386 /nfs/dbraw/zinc/03/53/86/331035386.db2.gz BWBQOACINJMSCC-ZWKOTPCHSA-N 0 3 269.388 2.425 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000451598309 331035733 /nfs/dbraw/zinc/03/57/33/331035733.db2.gz KBHKLLXUZVZTDJ-IMJJTQAJSA-N 0 3 292.423 2.315 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(c1ccccc1)C(C)C ZINC000451602133 331035980 /nfs/dbraw/zinc/03/59/80/331035980.db2.gz WMOJLEFYEZQXEI-CVEARBPZSA-N 0 3 288.391 2.361 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCN(c2ccccc2)C1=O ZINC000451601914 331036014 /nfs/dbraw/zinc/03/60/14/331036014.db2.gz CKRCEIPWVBHQSR-PMPSAXMXSA-N 0 3 286.375 2.115 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000451682638 331038990 /nfs/dbraw/zinc/03/89/90/331038990.db2.gz RXHJIENLIXBRQV-OCCSQVGLSA-N 0 3 262.309 2.418 20 30 CEEDHN C=CCCCCCN1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000451917750 331047351 /nfs/dbraw/zinc/04/73/51/331047351.db2.gz OFEDEHDEZIIGEM-INIZCTEOSA-N 0 3 293.455 2.019 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)[C@@]1(C#N)C[C@H]1C ZINC000451937263 331047663 /nfs/dbraw/zinc/04/76/63/331047663.db2.gz ZPRXJLKDSAIJDO-GDBMZVCRSA-N 0 3 277.412 2.261 20 30 CEEDHN CCN1CCN(CC(C)(C)NCC#Cc2ccccc2)CC1 ZINC000451976678 331049262 /nfs/dbraw/zinc/04/92/62/331049262.db2.gz BXDYFEAXXNLSIP-UHFFFAOYSA-N 0 3 299.462 2.044 20 30 CEEDHN C=CCC1(C(=O)NC[C@H]2CCCN2CCCO)CCCC1 ZINC000452343929 331062767 /nfs/dbraw/zinc/06/27/67/331062767.db2.gz MLMBVSSOMMDOLQ-OAHLLOKOSA-N 0 3 294.439 2.086 20 30 CEEDHN COC[C@H](CNC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000452759636 331075154 /nfs/dbraw/zinc/07/51/54/331075154.db2.gz UNQXDVSWGDYPPE-PWSUYJOCSA-N 0 3 280.755 2.346 20 30 CEEDHN C=C(CC)CN[C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000453342167 331119454 /nfs/dbraw/zinc/11/94/54/331119454.db2.gz CVCUKFXZXRILNM-HNNXBMFYSA-N 0 3 294.420 2.267 20 30 CEEDHN C=C(CC)CN[C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000453381278 331125895 /nfs/dbraw/zinc/12/58/95/331125895.db2.gz XLIJHVKWHPWFPP-OAHLLOKOSA-N 0 3 294.420 2.267 20 30 CEEDHN C=CCOc1cccc(CNC[C@]2(C)CCC(=O)N2)c1 ZINC000453596148 331135481 /nfs/dbraw/zinc/13/54/81/331135481.db2.gz ZTLOMEIBIAEFHO-INIZCTEOSA-N 0 3 274.364 2.010 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2F)CC1 ZINC000454460383 331146739 /nfs/dbraw/zinc/14/67/39/331146739.db2.gz IKYIXHWHMWZJOA-UONOGXRCSA-N 0 3 283.391 2.217 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000456042143 331183144 /nfs/dbraw/zinc/18/31/44/331183144.db2.gz CLNYYICZFXQKBS-CRWXNKLISA-N 0 3 263.385 2.058 20 30 CEEDHN C=CC[C@@H](C)NC(=O)C1CN(C2CCCCC2)C1 ZINC000457579454 331227667 /nfs/dbraw/zinc/22/76/67/331227667.db2.gz RTEHQPJOHDOWCU-GFCCVEGCSA-N 0 3 250.386 2.332 20 30 CEEDHN C[C@@H](CNC(=O)N(C)CC(C)(C)C#N)N1CCC[C@@H](C)C1 ZINC000457717509 331232259 /nfs/dbraw/zinc/23/22/59/331232259.db2.gz UTOBOQMIQNHPRO-KGLIPLIRSA-N 0 3 294.443 2.298 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ccn(C)n1 ZINC000458295969 331247543 /nfs/dbraw/zinc/24/75/43/331247543.db2.gz QOEFHLOJUXUPOV-UKRRQHHQSA-N 0 3 296.374 2.370 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)N[C@H]2CC[C@@H](CC#N)C2)C1 ZINC000459012000 331266442 /nfs/dbraw/zinc/26/64/42/331266442.db2.gz OBWTVKGLORKUMA-SOUVJXGZSA-N 0 3 292.427 2.193 20 30 CEEDHN CC(C)(C)OC(=O)[C@@]1(C)CCN(CCCC#N)C1 ZINC000459571288 331288382 /nfs/dbraw/zinc/28/83/82/331288382.db2.gz CJAFNDOBCIIMEV-AWEZNQCLSA-N 0 3 252.358 2.344 20 30 CEEDHN CC(C)(C)c1nc(CN[C@H]2CCC[C@H](C#N)C2)n[nH]1 ZINC000459684705 331294303 /nfs/dbraw/zinc/29/43/03/331294303.db2.gz VFAHBENCRMIVKA-QWRGUYRKSA-N 0 3 261.373 2.274 20 30 CEEDHN CC(C)(C)c1nc(CN[C@@H]2CCC[C@H](C#N)C2)n[nH]1 ZINC000459684708 331294383 /nfs/dbraw/zinc/29/43/83/331294383.db2.gz VFAHBENCRMIVKA-WDEREUQCSA-N 0 3 261.373 2.274 20 30 CEEDHN C=CCN(C(=O)[C@H](C)[C@@H](N)c1ccccc1)C1CC1 ZINC000165285130 331305968 /nfs/dbraw/zinc/30/59/68/331305968.db2.gz NPARKEJNIOHMQM-IUODEOHRSA-N 0 3 258.365 2.500 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCC(C)(C)C2)CC1 ZINC000490890849 332124871 /nfs/dbraw/zinc/12/48/71/332124871.db2.gz AEJYFTKRRZYELB-AWEZNQCLSA-N 0 3 262.397 2.027 20 30 CEEDHN C#C[C@H](C)N(C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000491045816 332142815 /nfs/dbraw/zinc/14/28/15/332142815.db2.gz NCGWPKVLANMUNP-GJZGRUSLSA-N 0 3 270.376 2.102 20 30 CEEDHN C#CCNC(=O)CCN[C@H]1CCc2c1cccc2Cl ZINC000491192917 332163475 /nfs/dbraw/zinc/16/34/75/332163475.db2.gz TXGLWNUAKSIQGW-AWEZNQCLSA-N 0 3 276.767 2.056 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000491303585 332185564 /nfs/dbraw/zinc/18/55/64/332185564.db2.gz BOZLUOVOMWJPBR-ZOBUZTSGSA-N 0 3 299.418 2.313 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(C)c(F)cc1Cl ZINC000491350289 332195002 /nfs/dbraw/zinc/19/50/02/332195002.db2.gz NCTMELQEEWHWCH-UHFFFAOYSA-N 0 3 296.773 2.472 20 30 CEEDHN C#CCN1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000491626531 332250068 /nfs/dbraw/zinc/25/00/68/332250068.db2.gz LLLQDLWHPFBDIU-HNNXBMFYSA-N 0 3 288.366 2.177 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000491636343 332257140 /nfs/dbraw/zinc/25/71/40/332257140.db2.gz VTEBGLASGVISTQ-ZFWWWQNUSA-N 0 3 258.365 2.160 20 30 CEEDHN C#CCN(C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000491645735 332263484 /nfs/dbraw/zinc/26/34/84/332263484.db2.gz QLGMLBGLNKKRGG-QGZVFWFLSA-N 0 3 299.418 2.316 20 30 CEEDHN C#C[C@H](C)N(C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000491662154 332271830 /nfs/dbraw/zinc/27/18/30/332271830.db2.gz LOJGSBGJCZSSTQ-FZMZJTMJSA-N 0 3 251.757 2.197 20 30 CEEDHN C#CCN(C[C@H](O)CN(C)C1CC1)[C@H]1CCc2ccccc21 ZINC000491689157 332286715 /nfs/dbraw/zinc/28/67/15/332286715.db2.gz GVMCMMFURVHGPC-MJGOQNOKSA-N 0 3 298.430 2.064 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](C)CC(C)(C)C ZINC000491705238 332298016 /nfs/dbraw/zinc/29/80/16/332298016.db2.gz ZHYJGZSOHWTQQX-CYBMUJFWSA-N 0 3 252.402 2.130 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@@H](C)CC(C)C ZINC000491712806 332303976 /nfs/dbraw/zinc/30/39/76/332303976.db2.gz ATBCGWSWBUCXNI-AWEZNQCLSA-N 0 3 252.402 2.130 20 30 CEEDHN C#C[C@@H](C)N(C)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000491731739 332313367 /nfs/dbraw/zinc/31/33/67/332313367.db2.gz BBHPVRYTEBEPLD-CHWSQXEVSA-N 0 3 275.348 2.080 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000491742924 332321246 /nfs/dbraw/zinc/32/12/46/332321246.db2.gz VWDNFKQIORCEJJ-IRXDYDNUSA-N 0 3 288.435 2.274 20 30 CEEDHN C#CCN(C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000491744464 332322503 /nfs/dbraw/zinc/32/25/03/332322503.db2.gz ZIFDPXGQLDWAGI-ZBFHGGJFSA-N 0 3 285.391 2.097 20 30 CEEDHN C#C[C@@H](C)N(C)C[C@H](O)COc1ccccc1CC=C ZINC000491748359 332325556 /nfs/dbraw/zinc/32/55/56/332325556.db2.gz DUOYJTPVVIHNGU-ZBFHGGJFSA-N 0 3 273.376 2.108 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000491758979 332330678 /nfs/dbraw/zinc/33/06/78/332330678.db2.gz QIMQKEPWNCRYPH-NWDGAFQWSA-N 0 3 295.383 2.004 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCc2c1cccc2C ZINC000491766200 332334406 /nfs/dbraw/zinc/33/44/06/332334406.db2.gz GPKYBVMKGKCIBN-QGZVFWFLSA-N 0 3 299.418 2.237 20 30 CEEDHN C#C[C@H](CCC)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000491772461 332338869 /nfs/dbraw/zinc/33/88/69/332338869.db2.gz AHXOHUCADIEYII-QLFBSQMISA-N 0 3 285.343 2.209 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H](C2CCCC2)C1 ZINC000491796259 332354897 /nfs/dbraw/zinc/35/48/97/332354897.db2.gz YWPTYCLBOFYTIB-MRXNPFEDSA-N 0 3 291.439 2.163 20 30 CEEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCN(C(=O)OC)C1 ZINC000496036045 332536643 /nfs/dbraw/zinc/53/66/43/332536643.db2.gz LUSXMAINKGJCAF-WDEREUQCSA-N 0 3 260.765 2.195 20 30 CEEDHN CC(=Nn1cnnc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496942391 332565112 /nfs/dbraw/zinc/56/51/12/332565112.db2.gz VNAVYBWAWKXQQC-LBPRGKRZSA-N 0 3 293.371 2.292 20 30 CEEDHN CN(C)C(=O)OC1CCN(CCCC(C)(C)C#N)CC1 ZINC000497078686 332569419 /nfs/dbraw/zinc/56/94/19/332569419.db2.gz QMVIYXUGDGUCOE-UHFFFAOYSA-N 0 3 281.400 2.479 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]2SCC)CC1 ZINC000178103584 333067817 /nfs/dbraw/zinc/06/78/17/333067817.db2.gz KXTSYPACMKPGSW-CABCVRRESA-N 0 3 294.464 2.122 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000185812364 333149479 /nfs/dbraw/zinc/14/94/79/333149479.db2.gz SMCBCDGNDUCPCM-YNEHKIRRSA-N 0 3 250.386 2.330 20 30 CEEDHN C[C@@H](CC#N)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000194635480 333274125 /nfs/dbraw/zinc/27/41/25/333274125.db2.gz PEXUJKOSBVFRLK-ZDUSSCGKSA-N 0 3 271.364 2.314 20 30 CEEDHN C#C[C@@H](CC)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000229875420 333310513 /nfs/dbraw/zinc/31/05/13/333310513.db2.gz VBMSINIMUMEPBK-QWHCGFSZSA-N 0 3 266.385 2.387 20 30 CEEDHN N#CC1(NC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000576208097 335169965 /nfs/dbraw/zinc/16/99/65/335169965.db2.gz RBQFDBYONMWNQC-UHFFFAOYSA-N 0 3 283.375 2.458 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000133874813 334066803 /nfs/dbraw/zinc/06/68/03/334066803.db2.gz LBKGZBYLFHVODC-OLZOCXBDSA-N 0 3 266.385 2.245 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CCC1CC1 ZINC000135249076 334121636 /nfs/dbraw/zinc/12/16/36/334121636.db2.gz RFUIBZFWOVXCPR-SWLSCSKDSA-N 0 3 265.401 2.161 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](CC(C)C)C1 ZINC000245419616 334191646 /nfs/dbraw/zinc/19/16/46/334191646.db2.gz BATCFWYQIOQIRY-GJZGRUSLSA-N 0 3 279.428 2.363 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C)[C@H](OC)C1 ZINC000251925051 334372031 /nfs/dbraw/zinc/37/20/31/334372031.db2.gz SQMOLJSFSARZIS-QLFBSQMISA-N 0 3 282.428 2.156 20 30 CEEDHN C[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ccccc1Cl ZINC000566123397 334625668 /nfs/dbraw/zinc/62/56/68/334625668.db2.gz JHQJSULJYQGJHK-CHWSQXEVSA-N 0 3 295.814 2.197 20 30 CEEDHN CC1(C)C[C@]1(C#N)NC(=O)CCN1CCc2ccccc2C1 ZINC000576728530 335240691 /nfs/dbraw/zinc/24/06/91/335240691.db2.gz KPPQNGSGQUZPHL-GOSISDBHSA-N 0 3 297.402 2.243 20 30 CEEDHN CCO[C@@H]1COC[C@H]1NCCC1(C#N)CCCCC1 ZINC000581237323 336029104 /nfs/dbraw/zinc/02/91/04/336029104.db2.gz FWAREENSFKBYGY-ZIAGYGMSSA-N 0 3 266.385 2.244 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1nc(-c2ccccc2)co1 ZINC000581309209 336045151 /nfs/dbraw/zinc/04/51/51/336045151.db2.gz CBFUVDFTAOZSKW-LBPRGKRZSA-N 0 3 284.319 2.301 20 30 CEEDHN CCC(CC)(CCO)CNC[C@H](C#N)CCC#N ZINC000581726466 336138437 /nfs/dbraw/zinc/13/84/37/336138437.db2.gz OATQKDWOXDPWQO-ZDUSSCGKSA-N 0 3 251.374 2.208 20 30 CEEDHN COc1cc(F)c([C@@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347104967 533985936 /nfs/dbraw/zinc/98/59/36/533985936.db2.gz KQTJQDXUXSBZIA-DTWKUNHWSA-N 0 3 280.299 2.180 20 30 CEEDHN CC(C#N)C(=O)N(C)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000352791235 534281782 /nfs/dbraw/zinc/28/17/82/534281782.db2.gz YNQSTXLWJAISCV-YPMHNXCESA-N 0 3 268.320 2.117 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000347092000 534282732 /nfs/dbraw/zinc/28/27/32/534282732.db2.gz TWDMKTGZUZQRIQ-WOPDTQHZSA-N 0 3 252.358 2.104 20 30 CEEDHN C[C@H](C#N)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000347082975 534285739 /nfs/dbraw/zinc/28/57/39/534285739.db2.gz YTFIBVLVVVISDU-NFAWXSAZSA-N 0 3 271.364 2.098 20 30 CEEDHN C=CC[C@H](CO)NCc1cnc(CC(C)C)s1 ZINC000184279266 519118755 /nfs/dbraw/zinc/11/87/55/519118755.db2.gz ULBAGMOFAINVRI-LLVKDONJSA-N 0 3 254.399 2.368 20 30 CEEDHN C=CC[C@H](CO)NCc1cn(-c2ccccc2)nc1C ZINC000184285672 519119713 /nfs/dbraw/zinc/11/97/13/519119713.db2.gz IVICOULTZBHJJT-OAHLLOKOSA-N 0 3 271.364 2.207 20 30 CEEDHN CC(=O)CCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264081259 534725316 /nfs/dbraw/zinc/72/53/16/534725316.db2.gz DKZYFWRAPZAEPK-UHFFFAOYSA-N 0 3 272.348 2.381 20 30 CEEDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cnn2cccnc12 ZINC000329165944 534761280 /nfs/dbraw/zinc/76/12/80/534761280.db2.gz HSZAQBUDHQPMRI-GFCCVEGCSA-N 0 3 299.378 2.051 20 30 CEEDHN C=CCN(CCc1ccco1)C(=O)CN(C)CCC ZINC000353108938 526317242 /nfs/dbraw/zinc/31/72/42/526317242.db2.gz GNQMIZFBBIUPBG-UHFFFAOYSA-N 0 3 264.369 2.179 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC(C)(C3CC3)CC2)C1=O ZINC000352201733 526476374 /nfs/dbraw/zinc/47/63/74/526476374.db2.gz UZYSKVFLSSGIND-CQSZACIVSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCN1CC[C@H](N[C@H](CC)CC(F)(F)F)C1=O ZINC000352824089 526515006 /nfs/dbraw/zinc/51/50/06/526515006.db2.gz FSKBAVWRRQKTPU-ZJUUUORDSA-N 0 3 264.291 2.094 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC(C3CCC3)C2)CC1 ZINC000352820977 526583535 /nfs/dbraw/zinc/58/35/35/526583535.db2.gz RJDCBHALYARHNF-UHFFFAOYSA-N 0 3 291.439 2.468 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C(F)(F)F)CC1 ZINC000352819440 526592329 /nfs/dbraw/zinc/59/23/29/526592329.db2.gz NQVCMRARWUAPGS-JTQLQIEISA-N 0 3 293.333 2.277 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@H]2C)CC1 ZINC000344742689 526593305 /nfs/dbraw/zinc/59/33/05/526593305.db2.gz QSBBTCMITAJNGQ-TZMCWYRMSA-N 0 3 265.401 2.125 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccon2)CC1 ZINC000347799952 526594565 /nfs/dbraw/zinc/59/45/65/526594565.db2.gz BWSQPYWMFPCCPY-GFCCVEGCSA-N 0 3 292.383 2.075 20 30 CEEDHN C=C(C)COCCNC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000354488021 526640435 /nfs/dbraw/zinc/64/04/35/526640435.db2.gz ZGGGPAMLWKNOMK-GJZGRUSLSA-N 0 3 297.443 2.141 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000354513110 526697918 /nfs/dbraw/zinc/69/79/18/526697918.db2.gz OWWRKLJJIKPJBM-OAHLLOKOSA-N 0 3 295.471 2.121 20 30 CEEDHN N#Cc1cccc(CNCc2cccc(-n3cncn3)c2)c1 ZINC000363412817 526709385 /nfs/dbraw/zinc/70/93/85/526709385.db2.gz UTZUAADOXWWKBJ-UHFFFAOYSA-N 0 3 289.342 2.429 20 30 CEEDHN CC(C)(C)[S@](=O)CCNCc1ccc(C#N)cc1 ZINC000116921378 526746502 /nfs/dbraw/zinc/74/65/02/526746502.db2.gz WVRIUXNBUXREPA-SFHVURJKSA-N 0 3 264.394 2.195 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000354657108 527042724 /nfs/dbraw/zinc/04/27/24/527042724.db2.gz QXBHWGBZBTZMNC-HUUCEWRRSA-N 0 3 297.443 2.141 20 30 CEEDHN C=CCCCCNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000353338969 527148799 /nfs/dbraw/zinc/14/87/99/527148799.db2.gz VMRRUORCHWKWOX-KGLIPLIRSA-N 0 3 267.417 2.467 20 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30 CEEDHN CCOc1cc(CNC(=O)C(C)C#N)ccc1OC(F)F ZINC000347061263 528273238 /nfs/dbraw/zinc/27/32/38/528273238.db2.gz DYNMLYIGPOANPE-SECBINFHSA-N 0 3 298.289 2.463 20 30 CEEDHN CCOc1ccc(N(CCC#N)C(=O)C(C)C#N)cc1 ZINC000353775493 528481385 /nfs/dbraw/zinc/48/13/85/528481385.db2.gz SVUZPOKAOCTUJP-GFCCVEGCSA-N 0 3 271.320 2.492 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000352247349 529349013 /nfs/dbraw/zinc/34/90/13/529349013.db2.gz XUFCOBNHKDSNRV-UMVBOHGHSA-N 0 3 265.401 2.305 20 30 CEEDHN CCCC(C)=CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000747021278 574423220 /nfs/dbraw/zinc/42/32/20/574423220.db2.gz NIOFCIIWIUJISK-ZKQHCESOSA-N 0 3 271.320 2.475 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2cscc2C)CC1 ZINC000749396370 575218091 /nfs/dbraw/zinc/21/80/91/575218091.db2.gz GLTYVUJBTZUTBX-UHFFFAOYSA-N 0 3 276.405 2.274 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)cn1 ZINC000728814281 574470861 /nfs/dbraw/zinc/47/08/61/574470861.db2.gz YTRMATBOYFNLQO-ZIAGYGMSSA-N 0 3 285.391 2.056 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCCCN2CCCC)cn1 ZINC000728864503 574472894 /nfs/dbraw/zinc/47/28/94/574472894.db2.gz KAPQLXYIUJXKSX-KRWDZBQOSA-N 0 3 299.418 2.447 20 30 CEEDHN C=C(C)CN1CCC(NC(=S)NC(C)(C)C)CC1 ZINC000729942395 574496954 /nfs/dbraw/zinc/49/69/54/574496954.db2.gz MTHHNTIIESBWTR-UHFFFAOYSA-N 0 3 269.458 2.290 20 30 CEEDHN C=C(CN(C)C)C(=O)Nc1cc(Cl)ccc1OC ZINC000763899428 574593084 /nfs/dbraw/zinc/59/30/84/574593084.db2.gz AGNZMIZVJLEPPF-UHFFFAOYSA-N 0 3 268.744 2.405 20 30 CEEDHN C[C@@H]1CC(N=Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000741452005 574594350 /nfs/dbraw/zinc/59/43/50/574594350.db2.gz TVZJLGOETLHLLM-SNVBAGLBSA-N 0 3 262.313 2.477 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)C(=C)CN(C)C ZINC000764419785 574596891 /nfs/dbraw/zinc/59/68/91/574596891.db2.gz VYYLBMSZYFIZKT-UHFFFAOYSA-N 0 3 276.355 2.458 20 30 CEEDHN C=C(CN(C)C)C(=O)N(C)[C@H]1CCCc2nc(C)sc21 ZINC000764507975 574598889 /nfs/dbraw/zinc/59/88/89/574598889.db2.gz KWVGDEYNYSTCJZ-ZDUSSCGKSA-N 0 3 293.436 2.405 20 30 CEEDHN CCCCCCN(C)CC(=O)NC1(C#N)CCCC1 ZINC000732271257 574616859 /nfs/dbraw/zinc/61/68/59/574616859.db2.gz SXEWDWIQSYJEOS-UHFFFAOYSA-N 0 3 265.401 2.451 20 30 CEEDHN C#CCCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000733341971 574665686 /nfs/dbraw/zinc/66/56/86/574665686.db2.gz ATEHQWLDEZFEEF-HOCLYGCPSA-N 0 3 285.391 2.144 20 30 CEEDHN C=CC[C@@H](NC(=O)CN(C)CCC)c1ccncc1 ZINC000734554625 574720329 /nfs/dbraw/zinc/72/03/29/574720329.db2.gz DUPURKJBSHBTJI-CQSZACIVSA-N 0 3 261.369 2.157 20 30 CEEDHN C=CCN1CCC(NC(=S)NC(C2CC2)C2CC2)CC1 ZINC000734760688 574730098 /nfs/dbraw/zinc/73/00/98/574730098.db2.gz QPDQQDHQVHYFDS-UHFFFAOYSA-N 0 3 293.480 2.290 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](O)c1ccccc1C(F)(F)F ZINC000736672593 574794407 /nfs/dbraw/zinc/79/44/07/574794407.db2.gz MJISBPUOGBNODR-KWQFWETISA-N 0 3 286.253 2.015 20 30 CEEDHN C1CCN([C@H]2CCCCC2=NN2CCOCC2)CC1 ZINC000748778169 575195516 /nfs/dbraw/zinc/19/55/16/575195516.db2.gz FZZMPULFOJBDPX-HNNXBMFYSA-N 0 3 265.401 2.103 20 30 CEEDHN C=C(C)CNC(=S)N(C)[C@@H]1CCN(CC)[C@H](C)C1 ZINC000740634076 574962395 /nfs/dbraw/zinc/96/23/95/574962395.db2.gz JAKQKXVNHDTRFE-CHWSQXEVSA-N 0 3 269.458 2.242 20 30 CEEDHN C#CCCN1CCC(NC(=O)Cc2ccc(C)s2)CC1 ZINC000740737358 574967113 /nfs/dbraw/zinc/96/71/13/574967113.db2.gz ATFGPLSMPCCXIO-UHFFFAOYSA-N 0 3 290.432 2.203 20 30 CEEDHN C[C@@H]1CCCN1CCNC(=O)CCc1ccc(C#N)cc1 ZINC000742237894 575012905 /nfs/dbraw/zinc/01/29/05/575012905.db2.gz RXISGIBXWVYUCS-CQSZACIVSA-N 0 3 285.391 2.091 20 30 CEEDHN C#CCCCNCc1cc2c(C)nn(C)c2nc1Cl ZINC000742385020 575019247 /nfs/dbraw/zinc/01/92/47/575019247.db2.gz FEJXKXFRWSOJOU-UHFFFAOYSA-N 0 3 276.771 2.433 20 30 CEEDHN CCc1ccc(N2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000743784176 575109453 /nfs/dbraw/zinc/10/94/53/575109453.db2.gz BBJOYGUNHABNLD-ZDUSSCGKSA-N 0 3 271.364 2.057 20 30 CEEDHN COC(=O)N1CCC[C@@H](N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000743473595 575104942 /nfs/dbraw/zinc/10/49/42/575104942.db2.gz DWZPBDMWMVQGQJ-IUODEOHRSA-N 0 3 287.363 2.440 20 30 CEEDHN C#CCNC(=O)CN(C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000743869702 575111782 /nfs/dbraw/zinc/11/17/82/575111782.db2.gz WMHLEZWEOBSGOX-MRXNPFEDSA-N 0 3 290.382 2.074 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000749396907 575218104 /nfs/dbraw/zinc/21/81/04/575218104.db2.gz LZJNUVLJMJLAMR-UHFFFAOYSA-N 0 3 274.364 2.114 20 30 CEEDHN C#C[C@H](CC)NC(=O)NCCCN(C)Cc1ccccc1 ZINC000753027125 575317975 /nfs/dbraw/zinc/31/79/75/575317975.db2.gz RYUIOKYKBOWEKR-MRXNPFEDSA-N 0 3 287.407 2.220 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C2(CC)CCC(F)(F)CC2)C1 ZINC000969124180 612960091 /nfs/dbraw/zinc/96/00/91/612960091.db2.gz AZYDYJSPVBBFIS-CYBMUJFWSA-N 0 3 298.377 2.416 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)CCc2cc(C)sc2C)C1 ZINC000970830482 612960668 /nfs/dbraw/zinc/96/06/68/612960668.db2.gz IMKMZHFVDQUXKQ-OAHLLOKOSA-N 0 3 290.432 2.121 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000970552252 612965408 /nfs/dbraw/zinc/96/54/08/612965408.db2.gz NYPNWIADKUFLTQ-MRXNPFEDSA-N 0 3 284.403 2.421 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccsc2C(F)F)C1 ZINC000970596413 612966920 /nfs/dbraw/zinc/96/69/20/612966920.db2.gz PEHGHIOTXAYTNK-SECBINFHSA-N 0 3 284.331 2.123 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)C2CC3(CCC3)C2)C1 ZINC000970301166 612993557 /nfs/dbraw/zinc/99/35/57/612993557.db2.gz TWEWNRADOXCPQI-CYBMUJFWSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2c(C)cccc2F)C1 ZINC000970977765 612994929 /nfs/dbraw/zinc/99/49/29/612994929.db2.gz JROKVOPOBMNBGI-CYBMUJFWSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(CF)cc2)C1 ZINC000970952071 612995164 /nfs/dbraw/zinc/99/51/64/612995164.db2.gz XFACORAPOBZPOC-CYBMUJFWSA-N 0 3 288.366 2.230 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccnc(CCC)c2)C1 ZINC000969894579 612995367 /nfs/dbraw/zinc/99/53/67/612995367.db2.gz CPBWCCZJKOVAPN-CQSZACIVSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000970541872 612996811 /nfs/dbraw/zinc/99/68/11/612996811.db2.gz WZWAFEVURBYVMT-QGTPRVQTSA-N 0 3 296.414 2.250 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(Cl)cc2)C1 ZINC000970783347 612997609 /nfs/dbraw/zinc/99/76/09/612997609.db2.gz ISHAVBSQZOHGGQ-LBPRGKRZSA-N 0 3 290.794 2.413 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(CF)cc2)C1 ZINC000970952072 612997659 /nfs/dbraw/zinc/99/76/59/612997659.db2.gz XFACORAPOBZPOC-ZDUSSCGKSA-N 0 3 288.366 2.230 20 30 CEEDHN C#CCCN1CCCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000981569509 613002871 /nfs/dbraw/zinc/00/28/71/613002871.db2.gz OJLPVKAOLSBZEL-UHFFFAOYSA-N 0 3 284.403 2.095 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCC[C@@H]2C(F)F)CC1 ZINC000981327856 613004104 /nfs/dbraw/zinc/00/41/04/613004104.db2.gz ZROFWSKZSSDMDE-UONOGXRCSA-N 0 3 298.377 2.225 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)c(C)n2)C1 ZINC000967398345 613014331 /nfs/dbraw/zinc/01/43/31/613014331.db2.gz XCIVDXWYYINEFG-PBHICJAKSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccsc2)C1 ZINC000964834795 613015004 /nfs/dbraw/zinc/01/50/04/613015004.db2.gz 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C#CCN1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)[C@H](C)C1 ZINC000942520213 613223574 /nfs/dbraw/zinc/22/35/74/613223574.db2.gz BOXGVEQOBDVHAT-GDBMZVCRSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cccc(CC)c2)C[C@H]1C ZINC000947460494 613226527 /nfs/dbraw/zinc/22/65/27/613226527.db2.gz URAZIPGZRQGYRX-CRAIPNDOSA-N 0 3 298.430 2.394 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)C[C@H]1C ZINC000947899080 613233847 /nfs/dbraw/zinc/23/38/47/613233847.db2.gz DUDKQWBQQATYLS-UKRRQHHQSA-N 0 3 299.418 2.109 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(CC)cc2)C[C@@H]1C ZINC000947993469 613234998 /nfs/dbraw/zinc/23/49/98/613234998.db2.gz CAQBTCIOPXTBHH-WMLDXEAASA-N 0 3 284.403 2.465 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)C[C@H]1C ZINC000947675668 613236353 /nfs/dbraw/zinc/23/63/53/613236353.db2.gz KLMJVFHIKXYSOE-CZUORRHYSA-N 0 3 295.386 2.384 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2(F)CCCCC2)[C@H](C)C1 ZINC000943986155 613257074 /nfs/dbraw/zinc/25/70/74/613257074.db2.gz 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C=CCN1CC[C@]2(NC(=O)c3cncc(C)c3)CCC[C@H]12 ZINC000990119681 632317644 /nfs/dbraw/zinc/31/76/44/632317644.db2.gz DQEGQEIJKUZKNT-DOTOQJQBSA-N 0 3 285.391 2.303 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)n3cccc3)CCC[C@H]12 ZINC000990238298 632329615 /nfs/dbraw/zinc/32/96/15/632329615.db2.gz RGNNNNZCWQCEJW-YQQAZPJKSA-N 0 3 287.407 2.348 20 30 CEEDHN C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000925330045 632336273 /nfs/dbraw/zinc/33/62/73/632336273.db2.gz AWARTFVXJFKOHW-DZGCQCFKSA-N 0 3 291.395 2.112 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)sn3)CCC[C@@H]12 ZINC000990415468 632350697 /nfs/dbraw/zinc/35/06/97/632350697.db2.gz HCAZCQGYGMTXMS-UKRRQHHQSA-N 0 3 291.420 2.364 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc[nH]c3CC)CCC[C@H]12 ZINC000990491524 632368985 /nfs/dbraw/zinc/36/89/85/632368985.db2.gz DLNXJKYRLIXSKG-RDJZCZTQSA-N 0 3 287.407 2.490 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)[C@H]3C[C@@H]3C(F)F)CCC[C@H]12 ZINC000990519864 632376765 /nfs/dbraw/zinc/37/67/65/632376765.db2.gz 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ZINC000900424696 633715552 /nfs/dbraw/zinc/71/55/52/633715552.db2.gz FTBFXQXIWVNVMR-UHFFFAOYSA-N 0 3 264.291 2.048 20 30 CEEDHN C[C@@H](C#N)CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900651023 633792496 /nfs/dbraw/zinc/79/24/96/633792496.db2.gz UPWVTDPPQUALIJ-NSHDSACASA-N 0 3 270.336 2.180 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccnn1C1CCCCC1 ZINC000818047611 633849132 /nfs/dbraw/zinc/84/91/32/633849132.db2.gz PJNDTBBJMRUDHJ-ZDUSSCGKSA-N 0 3 289.383 2.348 20 30 CEEDHN CCOc1ccc(N(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000818133957 633872823 /nfs/dbraw/zinc/87/28/23/633872823.db2.gz VWFJNHHONAULDF-AWEZNQCLSA-N 0 3 275.352 2.069 20 30 CEEDHN COCOc1ccc(OC)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000818230862 633890049 /nfs/dbraw/zinc/89/00/49/633890049.db2.gz OFHKBYZISQNUMS-GXTWGEPZSA-N 0 3 290.363 2.460 20 30 CEEDHN CCc1noc(C)c1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000819331238 634143418 /nfs/dbraw/zinc/14/34/18/634143418.db2.gz NWUSQIYCNKDOMZ-MRXNPFEDSA-N 0 3 285.347 2.240 20 30 CEEDHN N#CCC[C@H](C#N)CNC[C@H]1CCCN1CC(F)(F)F ZINC000901572386 634195099 /nfs/dbraw/zinc/19/50/99/634195099.db2.gz KNDKDCMKORIOHL-VXGBXAGGSA-N 0 3 288.317 2.046 20 30 CEEDHN C[C@H](N[C@@H](CO)Cc1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000902890784 634881844 /nfs/dbraw/zinc/88/18/44/634881844.db2.gz GWYJWUALQVODQL-BLLLJJGKSA-N 0 3 299.349 2.347 20 30 CEEDHN CC[C@H](N[C@H](C)c1cc(C#N)ccn1)[C@H](O)C(C)C ZINC000903019790 634928101 /nfs/dbraw/zinc/92/81/01/634928101.db2.gz RHYQCQBLPQOKPV-OSAQELSMSA-N 0 3 261.369 2.399 20 30 CEEDHN C[C@@H](N[C@@H](CO)C1CCCC1)c1cc(C#N)ccn1 ZINC000902997182 634930329 /nfs/dbraw/zinc/93/03/29/634930329.db2.gz RLUGEMMZAUGYSY-ABAIWWIYSA-N 0 3 259.353 2.155 20 30 CEEDHN C[C@H](N[C@@H]1CCC[C@@H]([S@](C)=O)C1)c1cc(C#N)ccn1 ZINC000903048687 634955141 /nfs/dbraw/zinc/95/51/41/634955141.db2.gz RUGSWTVFZVOCEG-ZBQLUDKISA-N 0 3 291.420 2.294 20 30 CEEDHN C[C@H](NCC1(C2(O)CCC2)CC1)c1cc(C#N)ccn1 ZINC000903258110 635031579 /nfs/dbraw/zinc/03/15/79/635031579.db2.gz POXQPVRJPOKNEF-LBPRGKRZSA-N 0 3 271.364 2.299 20 30 CEEDHN CO[C@]1(CN[C@H](C)c2cc(C#N)ccn2)CCSC1 ZINC000903316118 635063562 /nfs/dbraw/zinc/06/35/62/635063562.db2.gz MWVFTVWODWXFAW-RISCZKNCSA-N 0 3 277.393 2.126 20 30 CEEDHN COC(=O)C1(C#N)CCN(C[C@H]2CC=CCC2)CC1 ZINC000824867361 635516010 /nfs/dbraw/zinc/51/60/10/635516010.db2.gz NJRAQROMEFMXHE-ZDUSSCGKSA-N 0 3 262.353 2.121 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccnc(Cl)c1F ZINC000825172241 635583795 /nfs/dbraw/zinc/58/37/95/635583795.db2.gz MKWMQLCBTDJCND-JTQLQIEISA-N 0 3 258.724 2.291 20 30 CEEDHN C=C(CC)CNCc1cnc(C2OCCO2)s1 ZINC000825221037 635592272 /nfs/dbraw/zinc/59/22/72/635592272.db2.gz FMGXBKQREXYMBW-UHFFFAOYSA-N 0 3 254.355 2.244 20 30 CEEDHN COCc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905080504 635796263 /nfs/dbraw/zinc/79/62/63/635796263.db2.gz LQYCJWDVIPHUHP-JLATVTFTSA-N 0 3 269.304 2.265 20 30 CEEDHN COCc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905080503 635796283 /nfs/dbraw/zinc/79/62/83/635796283.db2.gz LQYCJWDVIPHUHP-BNDQCTAISA-N 0 3 269.304 2.265 20 30 CEEDHN Cc1cc(/C=C2/C(=O)c3ncnn3C2C)cc(C)c1O ZINC000905081824 635797162 /nfs/dbraw/zinc/79/71/62/635797162.db2.gz TVYFHYFNBKPGDF-PQTFEYQYSA-N 0 3 269.304 2.441 20 30 CEEDHN COc1cc(/C=C2\C(=O)c3ncnn3C2C)cc(OC)c1 ZINC000905080567 635797420 /nfs/dbraw/zinc/79/74/20/635797420.db2.gz MPJCNERDMGUOLK-FVNYMESBSA-N 0 3 285.303 2.136 20 30 CEEDHN N#CC1(CNC[C@@H](O)CCC2(O)CCC2)CCCCC1 ZINC000905382673 636240553 /nfs/dbraw/zinc/24/05/53/636240553.db2.gz CVMSWVWFMTWNGO-AWEZNQCLSA-N 0 3 280.412 2.106 20 30 CEEDHN CSc1ccc(CNC[C@H](O)c2ccccn2)cc1C#N ZINC000905465604 636294683 /nfs/dbraw/zinc/29/46/83/636294683.db2.gz RDMGLQFGOLRQFJ-HNNXBMFYSA-N 0 3 299.399 2.498 20 30 CEEDHN CC(C)CN(CC[S@@](C)=O)Cc1ccc(C#N)cc1 ZINC000827561766 636354430 /nfs/dbraw/zinc/35/44/30/636354430.db2.gz AUZLTLVEPBMFKA-LJQANCHMSA-N 0 3 278.421 2.395 20 30 CEEDHN N#Cc1ccc([C@H](NCC[C@@H]2CC[C@@H]3C[C@@H]32)C(N)=O)cc1 ZINC000905846347 636505259 /nfs/dbraw/zinc/50/52/59/636505259.db2.gz NEYPWUSLOZSVPE-XZDPQHSOSA-N 0 3 283.375 2.110 20 30 CEEDHN CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000828141008 636519138 /nfs/dbraw/zinc/51/91/38/636519138.db2.gz JFBFNXUVDSLLDE-BFHYXJOUSA-N 0 3 263.385 2.010 20 30 CEEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@H]2C)c(OC)c1 ZINC000905975228 636545267 /nfs/dbraw/zinc/54/52/67/636545267.db2.gz PWCWPJQOTPODOG-UKRRQHHQSA-N 0 3 291.391 2.258 20 30 CEEDHN Cc1ccc(C#N)cc1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000828958784 636736449 /nfs/dbraw/zinc/73/64/49/636736449.db2.gz JBHORIKGXBOWBY-JKSUJKDBSA-N 0 3 283.375 2.175 20 30 CEEDHN C=CCCCCN1CCN(c2ccc(C#N)nc2)CC1 ZINC000829328532 636827498 /nfs/dbraw/zinc/82/74/98/636827498.db2.gz XKHFCVGQQBDRDX-UHFFFAOYSA-N 0 3 270.380 2.432 20 30 CEEDHN C=C[C@H](CC)CC(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000829563757 636881111 /nfs/dbraw/zinc/88/11/11/636881111.db2.gz MMELPJYZPZDEPP-MCIONIFRSA-N 0 3 250.386 2.284 20 30 CEEDHN C#CC[C@H]1CCCN(Cc2ccc(C(=O)OC)cn2)C1 ZINC000829815300 636937149 /nfs/dbraw/zinc/93/71/49/636937149.db2.gz JJTZHHFHFQDJAS-ZDUSSCGKSA-N 0 3 272.348 2.104 20 30 CEEDHN C#CC[C@@H]1CCCN(Cc2ccc(C(=O)OCC)cn2)C1 ZINC000829815983 636937653 /nfs/dbraw/zinc/93/76/53/636937653.db2.gz XFTUGYYFELWVFS-CQSZACIVSA-N 0 3 286.375 2.494 20 30 CEEDHN C#CC1CCN([C@@H](C)C(=O)N(CC)CC(=C)C)CC1 ZINC000830316413 637033945 /nfs/dbraw/zinc/03/39/45/637033945.db2.gz QYZITEVDVMNNKE-AWEZNQCLSA-N 0 3 262.397 2.145 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC000907948194 637176438 /nfs/dbraw/zinc/17/64/38/637176438.db2.gz NAKQIVNGPUBIKF-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN C[C@@H](C#N)OCCN(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000830897549 637194816 /nfs/dbraw/zinc/19/48/16/637194816.db2.gz OOTAFWCORTXDTJ-FZMZJTMJSA-N 0 3 282.771 2.234 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000876546335 650316860 /nfs/dbraw/zinc/31/68/60/650316860.db2.gz IGSXZFBLVOKYNF-LBPRGKRZSA-N 0 3 296.754 2.272 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)c1ccccc1 ZINC000876561078 650328448 /nfs/dbraw/zinc/32/84/48/650328448.db2.gz 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/nfs/dbraw/zinc/34/24/42/650342442.db2.gz GVDCIFNUSOSTKE-LLVKDONJSA-N 0 3 295.770 2.362 20 30 CEEDHN CCN1CCN(c2cccc(NC(=O)C#CC(C)C)c2)CC1 ZINC000832345161 637552884 /nfs/dbraw/zinc/55/28/84/637552884.db2.gz FJLBDRJYNHQKII-UHFFFAOYSA-N 0 3 299.418 2.426 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C1CC1)C1CCCC1 ZINC000876585257 650346285 /nfs/dbraw/zinc/34/62/85/650346285.db2.gz GBPKMJCOCOQMIV-GFCCVEGCSA-N 0 3 256.777 2.390 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccnn1CCCC ZINC000876586128 650346419 /nfs/dbraw/zinc/34/64/19/650346419.db2.gz ADGJGZLRAMSOSD-JTQLQIEISA-N 0 3 270.764 2.092 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)Cc1ccccc1F ZINC000876592867 650349905 /nfs/dbraw/zinc/34/99/05/650349905.db2.gz IQCCKIUJORUTTK-GWCFXTLKSA-N 0 3 284.762 2.343 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000876613578 650359820 /nfs/dbraw/zinc/35/98/20/650359820.db2.gz RKNZZTVTVXVIHO-CHWSQXEVSA-N 0 3 282.746 2.399 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000876621340 650364111 /nfs/dbraw/zinc/36/41/11/650364111.db2.gz ZAJMVYLPTFIDRR-SRVKXCTJSA-N 0 3 256.777 2.247 20 30 CEEDHN CCN1CCCN(C(=O)[C@@]2(C#N)CC23CCCC3)[C@@H](C)C1 ZINC000910272882 637968910 /nfs/dbraw/zinc/96/89/10/637968910.db2.gz YDETTYLBELKMPD-YOEHRIQHSA-N 0 3 289.423 2.403 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000876657869 650382567 /nfs/dbraw/zinc/38/25/67/650382567.db2.gz UNBAOVHPTGPICY-JSGCOSHPSA-N 0 3 278.783 2.303 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2ccccc2CC1 ZINC000876663173 650385716 /nfs/dbraw/zinc/38/57/16/650385716.db2.gz QVOIBWONEDXYRI-AWEZNQCLSA-N 0 3 278.783 2.084 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1c(C)cccc1C ZINC000876665020 650387155 /nfs/dbraw/zinc/38/71/55/650387155.db2.gz LUPVIOGJYQBMEJ-AWEZNQCLSA-N 0 3 280.799 2.432 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C(C)C)CC1 ZINC000876684722 650398222 /nfs/dbraw/zinc/39/82/22/650398222.db2.gz IAZJNRHLTKTJBJ-LBPRGKRZSA-N 0 3 258.793 2.351 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C)cc1OC ZINC000876687481 650400184 /nfs/dbraw/zinc/40/01/84/650400184.db2.gz PLRMTJVCXOMBAQ-LBPRGKRZSA-N 0 3 282.771 2.090 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(F)c(OC)cc1F ZINC000876695103 650403897 /nfs/dbraw/zinc/40/38/97/650403897.db2.gz ZVIGOQAPIQGOHR-VIFPVBQESA-N 0 3 290.697 2.382 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1ccccn1 ZINC000876726438 650411277 /nfs/dbraw/zinc/41/12/77/650411277.db2.gz GJSXWBONIRRYBH-YPMHNXCESA-N 0 3 279.771 2.215 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000876752658 650420089 /nfs/dbraw/zinc/42/00/89/650420089.db2.gz VYFPCZARSGYKFY-DTWKUNHWSA-N 0 3 273.789 2.099 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1n[nH]c2ccccc21 ZINC000911962543 638501021 /nfs/dbraw/zinc/50/10/21/638501021.db2.gz BYIPGUHEDPJQCO-LLVKDONJSA-N 0 3 258.325 2.185 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000912235881 638610168 /nfs/dbraw/zinc/61/01/68/638610168.db2.gz CEERGEQFFMRHLP-ZCFIWIBFSA-N 0 3 294.302 2.179 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1cc(OC)ccc1OC ZINC000912219967 638614168 /nfs/dbraw/zinc/61/41/68/638614168.db2.gz CNXWFVAQHBOOLQ-CQSZACIVSA-N 0 3 292.379 2.004 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000912301267 638636948 /nfs/dbraw/zinc/63/69/48/638636948.db2.gz ONFICDDJNKOYBO-GFCCVEGCSA-N 0 3 295.770 2.061 20 30 CEEDHN N#CC[C@H](CC(=O)N1CC[C@@H](N2CCC2)C1)c1ccccc1 ZINC000912907885 639069406 /nfs/dbraw/zinc/06/94/06/639069406.db2.gz KCOODHHAWIKNSY-IAGOWNOFSA-N 0 3 297.402 2.381 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000876882419 650471309 /nfs/dbraw/zinc/47/13/09/650471309.db2.gz HXGNQUAJQWECFI-RYDUCSDGSA-N 0 3 270.804 2.493 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)CCc1nccs1 ZINC000876889646 650475751 /nfs/dbraw/zinc/47/57/51/650475751.db2.gz PTQHQMCZUHXBEH-SNVBAGLBSA-N 0 3 287.816 2.004 20 30 CEEDHN COc1ccc(CN(C)C)cc1NC(=O)C#CC1CC1 ZINC000837339624 639192080 /nfs/dbraw/zinc/19/20/80/639192080.db2.gz YTARQJMOSISFCM-UHFFFAOYSA-N 0 3 272.348 2.109 20 30 CEEDHN C[C@@H]1CN(CCCCNC(=O)C#CC(C)(C)C)C[C@@H](C)O1 ZINC000837460342 639238428 /nfs/dbraw/zinc/23/84/28/639238428.db2.gz YLNOXYZMFRTWKD-HUUCEWRRSA-N 0 3 294.439 2.042 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000876937562 650494584 /nfs/dbraw/zinc/49/45/84/650494584.db2.gz XYIJBUXOUOSVHV-IHRRRGAJSA-N 0 3 278.783 2.376 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC2(CCC2)C[C@H]1C ZINC000876939015 650496219 /nfs/dbraw/zinc/49/62/19/650496219.db2.gz SHGRFRXIMXJDNJ-MNOVXSKESA-N 0 3 256.777 2.247 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc(C)c1OC ZINC000876952356 650502559 /nfs/dbraw/zinc/50/25/59/650502559.db2.gz NKJNTZQYYATJIQ-LBPRGKRZSA-N 0 3 282.771 2.090 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C2CCC2)CC1 ZINC000876962965 650509457 /nfs/dbraw/zinc/50/94/57/650509457.db2.gz XLJKBDQKVVKGPU-CYBMUJFWSA-N 0 3 270.804 2.495 20 30 CEEDHN C=CCN(C(=O)Nc1cnc2c(c1)CNCC2)C(C)C ZINC000841321232 639739053 /nfs/dbraw/zinc/73/90/53/639739053.db2.gz DGCHBOQWNJCIPN-UHFFFAOYSA-N 0 3 274.368 2.156 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(OC)c1C ZINC000877012498 650531403 /nfs/dbraw/zinc/53/14/03/650531403.db2.gz VIQYSNOMNZGNRT-JTQLQIEISA-N 0 3 268.744 2.412 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H]3C[C@H]3C3CC3)CCC[C@@H]12 ZINC000991935398 639877549 /nfs/dbraw/zinc/87/75/49/639877549.db2.gz RBPXGTRBMIOEIB-LISAXSMJSA-N 0 3 286.419 2.169 20 30 CEEDHN CC[C@H](CON=Cc1ccc(N2CCOCC2)cc1)OC ZINC000842017075 639919739 /nfs/dbraw/zinc/91/97/39/639919739.db2.gz HRGNOPRQEZBMQX-MRXNPFEDSA-N 0 3 292.379 2.299 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3C3CC3)CCC[C@H]12 ZINC000992314695 640023162 /nfs/dbraw/zinc/02/31/62/640023162.db2.gz GCCKTYMIJACCKS-QSJFSLAZSA-N 0 3 274.408 2.332 20 30 CEEDHN CC[C@@H](C[C@H](C)CO)NCc1cc(C#N)cnc1Cl ZINC000877065736 650557336 /nfs/dbraw/zinc/55/73/36/650557336.db2.gz UJBRNJVROPEWDB-GWCFXTLKSA-N 0 3 281.787 2.493 20 30 CEEDHN C#CCN(C(=O)N[C@@H](C)[C@H](C)CC)C1CCN(C)CC1 ZINC000914365578 640326977 /nfs/dbraw/zinc/32/69/77/640326977.db2.gz WREDIZHOYCLVMV-KGLIPLIRSA-N 0 3 279.428 2.160 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccnc2)[C@H]1C ZINC000992964235 640383076 /nfs/dbraw/zinc/38/30/76/640383076.db2.gz NEYJTFPEACFOGN-HIFRSBDPSA-N 0 3 273.380 2.240 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnn(CC)c2)[C@H]1C ZINC000993166948 640499892 /nfs/dbraw/zinc/49/98/92/640499892.db2.gz DFGKOSMGLIVASM-HIFRSBDPSA-N 0 3 290.411 2.062 20 30 CEEDHN CCOc1cccc2cc(C(C)=NNC(=N)N)oc21 ZINC000915050889 640503147 /nfs/dbraw/zinc/50/31/47/640503147.db2.gz MZJWLOCKPCQNFY-UHFFFAOYSA-N 0 3 260.297 2.039 20 30 CEEDHN COc1ccc(C(C)=NNC(=N)N)c2ccccc12 ZINC000915051103 640505067 /nfs/dbraw/zinc/50/50/67/640505067.db2.gz UXJLGINFRVBJSU-UHFFFAOYSA-N 0 3 256.309 2.055 20 30 CEEDHN C#CCSCCOC(=O)c1cccc(CN(C)C)c1 ZINC000835436273 640507111 /nfs/dbraw/zinc/50/71/11/640507111.db2.gz BSKBPQWUAJGCNG-UHFFFAOYSA-N 0 3 277.389 2.271 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccnn2CC)[C@H]1C ZINC000993284317 640572420 /nfs/dbraw/zinc/57/24/20/640572420.db2.gz RDWBQNIIYFSAIR-KGLIPLIRSA-N 0 3 290.411 2.062 20 30 CEEDHN C=C[C@@H](C)ONC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000844283787 640657634 /nfs/dbraw/zinc/65/76/34/640657634.db2.gz GONGBLSEBNJZAM-HIFRSBDPSA-N 0 3 289.379 2.066 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2conc2C)[C@@H]1C ZINC000993761934 640676062 /nfs/dbraw/zinc/67/60/62/640676062.db2.gz PLONCSLMPOAXHF-JSGCOSHPSA-N 0 3 277.368 2.142 20 30 CEEDHN Cc1noc(C)c1CCN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365897 640694013 /nfs/dbraw/zinc/69/40/13/640694013.db2.gz JGYLGFAFULGDGD-QGZVFWFLSA-N 0 3 299.374 2.371 20 30 CEEDHN CCC(=O)CCCN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844367745 640694486 /nfs/dbraw/zinc/69/44/86/640694486.db2.gz BSTRJZSTNHEHLW-INIZCTEOSA-N 0 3 274.364 2.283 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c[nH]cc2C2CC2)[C@H]1C ZINC000994134954 640696937 /nfs/dbraw/zinc/69/69/37/640696937.db2.gz LJWXBYYNNALTEF-CXAGYDPISA-N 0 3 299.418 2.498 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C(C2CC2)C2CC2)[C@H]1C ZINC000994190393 640699375 /nfs/dbraw/zinc/69/93/75/640699375.db2.gz PNIDLFRGDYLAJE-CJNGLKHVSA-N 0 3 288.435 2.415 20 30 CEEDHN C=CCNC(=S)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000844593516 640779292 /nfs/dbraw/zinc/77/92/92/640779292.db2.gz GTAOTZJIUBEBKB-INIZCTEOSA-N 0 3 289.448 2.301 20 30 CEEDHN C[C@H]1CCCCN1CCNc1ncc([N+](=O)[O-])cc1C#N ZINC000917068996 640846125 /nfs/dbraw/zinc/84/61/25/640846125.db2.gz LWEVRHZXPXCHDU-NSHDSACASA-N 0 3 289.339 2.148 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCS[C@@H](C)C2)CC1 ZINC000917142116 640858130 /nfs/dbraw/zinc/85/81/30/640858130.db2.gz QRGWRHSCIPOTCJ-GXTWGEPZSA-N 0 3 297.468 2.220 20 30 CEEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CC1)c1ccc(Cl)cc1 ZINC000845441703 640975769 /nfs/dbraw/zinc/97/57/69/640975769.db2.gz HQSPABCGTMRLQD-TVQRCGJNSA-N 0 3 290.750 2.431 20 30 CEEDHN C=C(C)CONC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000845589633 641005587 /nfs/dbraw/zinc/00/55/87/641005587.db2.gz FPGUAHVSUKJLKQ-UHFFFAOYSA-N 0 3 291.395 2.268 20 30 CEEDHN C=C[C@H](C)ONC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000845641552 641035054 /nfs/dbraw/zinc/03/50/54/641035054.db2.gz JTQOYQWWVFMXPA-ZFWWWQNUSA-N 0 3 291.395 2.403 20 30 CEEDHN C[C@H](C#N)CNC1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845953995 641137548 /nfs/dbraw/zinc/13/75/48/641137548.db2.gz KCZWSSWHOCRIEJ-PNESKVBLSA-N 0 3 281.400 2.429 20 30 CEEDHN N=C(N)NN=Cc1cccc(OCc2ccccc2F)c1 ZINC000920375495 641143983 /nfs/dbraw/zinc/14/39/83/641143983.db2.gz LCURRVSATAQSPB-UHFFFAOYSA-N 0 3 286.310 2.222 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccccc1O ZINC000877256807 650644080 /nfs/dbraw/zinc/64/40/80/650644080.db2.gz FNGBHNGJLIOXHR-ONGXEEELSA-N 0 3 268.744 2.039 20 30 CEEDHN CC[C@@H](N)C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000877291784 650660056 /nfs/dbraw/zinc/66/00/56/650660056.db2.gz NINFKMZYUPDXAI-MNOVXSKESA-N 0 3 285.269 2.015 20 30 CEEDHN C#C[C@H]1CCCN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC000847020224 641525410 /nfs/dbraw/zinc/52/54/10/641525410.db2.gz AGHIEOVXIPCORY-AWEZNQCLSA-N 0 3 266.348 2.113 20 30 CEEDHN C#C[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000847031731 641539045 /nfs/dbraw/zinc/53/90/45/641539045.db2.gz RTMWAQQIDCCQRQ-CYBMUJFWSA-N 0 3 257.333 2.303 20 30 CEEDHN C#C[C@H]1CCCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000847361741 641645683 /nfs/dbraw/zinc/64/56/83/641645683.db2.gz LGJHGCYZOSUTPK-GOEBONIOSA-N 0 3 289.423 2.058 20 30 CEEDHN C#C[C@@H]1CCCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000847363854 641645732 /nfs/dbraw/zinc/64/57/32/641645732.db2.gz YWIMCMQQGWFAAM-CABCVRRESA-N 0 3 291.439 2.162 20 30 CEEDHN C=CCN1CCC(NC(=O)/C(C)=C\c2cccnc2)CC1 ZINC000847451742 641668396 /nfs/dbraw/zinc/66/83/96/641668396.db2.gz NWEBPTPLWLIJII-OWBHPGMISA-N 0 3 285.391 2.252 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@](C)(C(F)(F)F)C1 ZINC000877350347 650685647 /nfs/dbraw/zinc/68/56/47/650685647.db2.gz LPVGNRPDCLJYMD-PSASIEDQSA-N 0 3 284.709 2.257 20 30 CEEDHN CCCCCCCC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184306297 641853228 /nfs/dbraw/zinc/85/32/28/641853228.db2.gz CBAOYTRJXYHJEO-MRXNPFEDSA-N 0 3 297.487 2.489 20 30 CEEDHN 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CEEDHN C=CCC(CC=C)C(=O)OC[C@@]1(C)C[C@@H](OC)CN1C ZINC000861348991 646140243 /nfs/dbraw/zinc/14/02/43/646140243.db2.gz HUSLOOCLLKNRRJ-GDBMZVCRSA-N 0 3 281.396 2.407 20 30 CEEDHN C#CCOc1ccc(CN2CCCOC[C@H]2C)cc1 ZINC000769457102 646269655 /nfs/dbraw/zinc/26/96/55/646269655.db2.gz NPUPFDNYEQISMR-CQSZACIVSA-N 0 3 259.349 2.309 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Cc1ccccc1C ZINC000861838003 646277449 /nfs/dbraw/zinc/27/74/49/646277449.db2.gz NHGQXUZVWFFXBT-INIZCTEOSA-N 0 3 286.419 2.245 20 30 CEEDHN N#Cc1ccc(CC(=O)OCCN2CCCCC2)cc1 ZINC000770360295 646382026 /nfs/dbraw/zinc/38/20/26/646382026.db2.gz RSISPBVDTXNTLW-UHFFFAOYSA-N 0 3 272.348 2.130 20 30 CEEDHN N#Cc1cccc(CC(=O)OCCN2CCCCC2)c1 ZINC000770399866 646388495 /nfs/dbraw/zinc/38/84/95/646388495.db2.gz UVAXMVWTMWGFOQ-UHFFFAOYSA-N 0 3 272.348 2.130 20 30 CEEDHN C#CC[C@@H]1CCN(Cc2ccnn2-c2ccncc2)C1 ZINC000862446536 646464158 /nfs/dbraw/zinc/46/41/58/646464158.db2.gz ADNOPJDTANTMGY-CQSZACIVSA-N 0 3 266.348 2.113 20 30 CEEDHN C#CC[C@@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC000862566539 646504859 /nfs/dbraw/zinc/50/48/59/646504859.db2.gz PEDGAONKHRIARR-OAHLLOKOSA-N 0 3 264.413 2.370 20 30 CEEDHN O=C(C#Cc1cccs1)NC[C@@H]1CCN1C1CCCC1 ZINC000863032353 646619546 /nfs/dbraw/zinc/61/95/46/646619546.db2.gz NQOSSKVWAAZTBB-AWEZNQCLSA-N 0 3 288.416 2.233 20 30 CEEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000863032162 646619617 /nfs/dbraw/zinc/61/96/17/646619617.db2.gz MIHHFCCPCQGXHD-CQSZACIVSA-N 0 3 262.397 2.169 20 30 CEEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2ccco2)cc1 ZINC000772640278 646653623 /nfs/dbraw/zinc/65/36/23/646653623.db2.gz KPTFRLLQFCGTSH-CQSZACIVSA-N 0 3 298.298 2.178 20 30 CEEDHN COc1cc(C)c(C=NNc2ccnc(C)c2)c(C)n1 ZINC000863159618 646658014 /nfs/dbraw/zinc/65/80/14/646658014.db2.gz XYRJWWNJCOWADQ-UHFFFAOYSA-N 0 3 270.336 2.278 20 30 CEEDHN CCC(=NNc1ccnc(C)c1)c1c(C)nn(C)c1C ZINC000863159145 646658108 /nfs/dbraw/zinc/65/81/08/646658108.db2.gz FOMACNUQYZZJTJ-UHFFFAOYSA-N 0 3 271.368 2.388 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)COC1(C)CCC1 ZINC000772970216 646690585 /nfs/dbraw/zinc/69/05/85/646690585.db2.gz AUIPBYKFXHPLMN-ZDUSSCGKSA-N 0 3 294.395 2.351 20 30 CEEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000775263348 646935372 /nfs/dbraw/zinc/93/53/72/646935372.db2.gz WPMUXEWUACZKGW-WFASDCNBSA-N 0 3 290.363 2.231 20 30 CEEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000775278759 646936742 /nfs/dbraw/zinc/93/67/42/646936742.db2.gz GOWHNYPVSJOTAV-BBRMVZONSA-N 0 3 288.391 2.401 20 30 CEEDHN C#C[C@@H](NCc1cccc(OCC)c1O)[C@@H]1CCCO1 ZINC000775339706 646942230 /nfs/dbraw/zinc/94/22/30/646942230.db2.gz CYDQVFLWILHFKT-KGLIPLIRSA-N 0 3 275.348 2.061 20 30 CEEDHN CC1(CN[C@H]2CCCc3cc(C#N)ccc32)OCCO1 ZINC000775423184 646953392 /nfs/dbraw/zinc/95/33/92/646953392.db2.gz OIXKBECYGFLHJG-HNNXBMFYSA-N 0 3 272.348 2.288 20 30 CEEDHN C#C[C@H](NCCOC1CCCCCC1)[C@H]1CCCO1 ZINC000775793050 646994039 /nfs/dbraw/zinc/99/40/39/646994039.db2.gz JASFSDOEIHTXPL-JKSUJKDBSA-N 0 3 265.397 2.496 20 30 CEEDHN C=CCCC[C@H](C)NC(=S)NC1CCN(C)CC1 ZINC000776205404 647036272 /nfs/dbraw/zinc/03/62/72/647036272.db2.gz XYFNGOYBNZXQHH-LBPRGKRZSA-N 0 3 269.458 2.290 20 30 CEEDHN C[C@@H](CNC(=O)c1coc(C#N)c1)N1CCCC[C@@H]1C ZINC000864871578 647124285 /nfs/dbraw/zinc/12/42/85/647124285.db2.gz HQSSMJCKKDMRAZ-RYUDHWBXSA-N 0 3 275.352 2.144 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC000865194317 647202329 /nfs/dbraw/zinc/20/23/29/647202329.db2.gz UXHTXGMUFFODPQ-CZUORRHYSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CC[C@H](CO)CNCc1cccnc1Br ZINC000865519927 647337252 /nfs/dbraw/zinc/33/72/52/647337252.db2.gz HWPZJXUYCPWMJD-JTQLQIEISA-N 0 3 285.185 2.118 20 30 CEEDHN C#CCCCCCC(=O)NC1CCN(CC=C)CC1 ZINC000780483018 647433614 /nfs/dbraw/zinc/43/36/14/647433614.db2.gz GVSXZDXWPFBZFO-UHFFFAOYSA-N 0 3 262.397 2.337 20 30 CEEDHN CCCC[C@@H](ON=C(C)C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000780979757 647487341 /nfs/dbraw/zinc/48/73/41/647487341.db2.gz HUFGGZWKMXYGOB-DZGCQCFKSA-N 0 3 295.427 2.311 20 30 CEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1CCCCS1 ZINC000783362439 647710305 /nfs/dbraw/zinc/71/03/05/647710305.db2.gz HMLJUEATLZSSJF-QWRGUYRKSA-N 0 3 289.360 2.015 20 30 CEEDHN C#CCOc1ccccc1CN1CC[C@H](C(=O)OC)[C@H]1C ZINC000787422011 648107951 /nfs/dbraw/zinc/10/79/51/648107951.db2.gz XJTCLBFPJNKJIO-HIFRSBDPSA-N 0 3 287.359 2.082 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C#Cc1ccccc1 ZINC000791118117 648482756 /nfs/dbraw/zinc/48/27/56/648482756.db2.gz VFAYNDICYHMCGH-INIZCTEOSA-N 0 3 284.403 2.275 20 30 CEEDHN CCCCCCCCCN1CC[C@H](S(=O)(=O)NC)C1 ZINC000792253345 648631385 /nfs/dbraw/zinc/63/13/85/648631385.db2.gz HZGXXWTUQLMHIY-AWEZNQCLSA-N 0 3 290.473 2.361 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C)[C@]23C[C@H]2CCCC3)CC1 ZINC000870530009 648834925 /nfs/dbraw/zinc/83/49/25/648834925.db2.gz UEYGVRMPVHAYGP-KYJSFNMBSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCn1cc(CN[C@H]2CCOC3(CCCC3)C2)nn1 ZINC000872081550 649266619 /nfs/dbraw/zinc/26/66/19/649266619.db2.gz ZMCWQLJUHBMHJT-ZDUSSCGKSA-N 0 3 276.384 2.046 20 30 CEEDHN C=CCC[C@@H](C)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000872097076 649273106 /nfs/dbraw/zinc/27/31/06/649273106.db2.gz JUAJNUMZBMUVKZ-RDBSUJKOSA-N 0 3 269.385 2.193 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@H](OC2CCC2)CC1 ZINC000872276829 649339940 /nfs/dbraw/zinc/33/99/40/649339940.db2.gz MPTUGTKXZKZRGN-DZGCQCFKSA-N 0 3 280.412 2.101 20 30 CEEDHN COc1cc(F)cc(N=NC2CCN(C)[C@@H]2C)c1 ZINC000872357010 649364376 /nfs/dbraw/zinc/36/43/76/649364376.db2.gz MLHCCNOBKYCJSK-SECBINFHSA-N 0 3 251.305 2.326 20 30 CEEDHN N#Cc1ccc(CNC[C@H](O)Cc2cccc(Cl)c2)o1 ZINC000873179141 649579527 /nfs/dbraw/zinc/57/95/27/649579527.db2.gz DYYQLJCDJVCBON-CYBMUJFWSA-N 0 3 290.750 2.498 20 30 CEEDHN C#C[C@H]1CC[C@H](NCc2ncc(C3OCCO3)s2)CC1 ZINC000873198104 649585701 /nfs/dbraw/zinc/58/57/01/649585701.db2.gz QBZUWXJUMURKAG-HAQNSBGRSA-N 0 3 292.404 2.470 20 30 CEEDHN C#CCOc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cc1 ZINC000874835685 649847223 /nfs/dbraw/zinc/84/72/23/649847223.db2.gz AQYHJCLDTNKVSV-SJORKVTESA-N 0 3 298.386 2.007 20 30 CEEDHN CC1(C#N)CCN(C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000878389922 651083695 /nfs/dbraw/zinc/08/36/95/651083695.db2.gz YDRQEZZTUPGYIS-AWEZNQCLSA-N 0 3 280.412 2.058 20 30 CEEDHN CN(Cc1ccc(C#N)o1)[C@H](CO)Cc1ccccc1 ZINC000878884910 651203389 /nfs/dbraw/zinc/20/33/89/651203389.db2.gz OUPZVQAWYOWIEV-AWEZNQCLSA-N 0 3 270.332 2.187 20 30 CEEDHN COC(=O)/C(C)=C/CN(C)CCc1cccc(C#N)c1 ZINC000879433799 651303248 /nfs/dbraw/zinc/30/32/48/651303248.db2.gz GBEZARNJQGFWLP-NTUHNPAUSA-N 0 3 272.348 2.152 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@H](C(C)(C)O)C1 ZINC000880148261 651393037 /nfs/dbraw/zinc/39/30/37/651393037.db2.gz UHYVOLFIVMRHMB-AWEZNQCLSA-N 0 3 274.364 2.160 20 30 CEEDHN C#CCCN[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880218143 651402438 /nfs/dbraw/zinc/40/24/38/651402438.db2.gz IZLIKIWDDUCDTF-OKILXGFUSA-N 0 3 294.192 2.412 20 30 CEEDHN CO[C@]1(C(F)(F)F)CCN(CCCCC#N)C1 ZINC000880304445 651420606 /nfs/dbraw/zinc/42/06/06/651420606.db2.gz ZGAGESSBNFFJQS-SNVBAGLBSA-N 0 3 250.264 2.333 20 30 CEEDHN COCC#CCN1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880553993 651460146 /nfs/dbraw/zinc/46/01/46/651460146.db2.gz ORENKISUXZCWOL-INIZCTEOSA-N 0 3 270.376 2.121 20 30 CEEDHN C[C@H](C#N)OCCN[C@@H](Cn1ccnc1)c1ccccc1 ZINC000880569870 651462015 /nfs/dbraw/zinc/46/20/15/651462015.db2.gz QZFHVSRKYLZTQJ-ZBFHGGJFSA-N 0 3 284.363 2.143 20 30 CEEDHN C=CCN1CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881947175 651923212 /nfs/dbraw/zinc/92/32/12/651923212.db2.gz GGTUUUKDNZEUFB-UHFFFAOYSA-N 0 3 280.303 2.191 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)C2CC2)CCN1Cc1ccc(C#N)cc1 ZINC000946956055 652304141 /nfs/dbraw/zinc/30/41/41/652304141.db2.gz CSPDZMQVGXLZGG-GUYCJALGSA-N 0 3 297.402 2.437 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H](CO)C/C=C/C ZINC000883091057 652361643 /nfs/dbraw/zinc/36/16/43/652361643.db2.gz CIDLFZAEWMFGBI-SJDLMVEWSA-N 0 3 259.349 2.115 20 30 CEEDHN CC(C)(CC#N)CNCc1ccc2oc(=O)oc2c1 ZINC000883144195 652377322 /nfs/dbraw/zinc/37/73/22/652377322.db2.gz ICEFXKJXSDIVHC-UHFFFAOYSA-N 0 3 260.293 2.415 20 30 CEEDHN COC[C@@H](NCc1ccc(C#N)cc1F)[C@H]1CCCOC1 ZINC000883187201 652393678 /nfs/dbraw/zinc/39/36/78/652393678.db2.gz IZZWTPLKQGEGMP-GOEBONIOSA-N 0 3 292.354 2.229 20 30 CEEDHN N#Cc1ccc(CNC[C@H](CO)Cc2ccoc2)c(F)c1 ZINC000883270670 652419633 /nfs/dbraw/zinc/41/96/33/652419633.db2.gz TZAHMOGBCSNAAY-CQSZACIVSA-N 0 3 288.322 2.231 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1ccc(-c2cc[nH]n2)o1 ZINC000883400413 652456593 /nfs/dbraw/zinc/45/65/93/652456593.db2.gz MCORZXAJCUMIGJ-LLVKDONJSA-N 0 3 261.325 2.086 20 30 CEEDHN Cc1ccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)c(F)c1 ZINC000884047712 652658456 /nfs/dbraw/zinc/65/84/56/652658456.db2.gz HRIDEFMKBZTFRR-BWBHSNQOSA-N 0 3 287.338 2.212 20 30 CEEDHN CC1(C)CCCC[C@H]1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884141973 652725834 /nfs/dbraw/zinc/72/58/34/652725834.db2.gz OFGMUBGTQNONPL-YRTQGLMCSA-N 0 3 289.423 2.211 20 30 CEEDHN C=CCOc1ccc(CNCC[S@@](=O)CC)cc1 ZINC000134735793 652870001 /nfs/dbraw/zinc/87/00/01/652870001.db2.gz WLOVVRGRQCLZBP-GOSISDBHSA-N 0 3 267.394 2.110 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CC=CCC2)[C@H]1CC ZINC001087500277 805592965 /nfs/dbraw/zinc/59/29/65/805592965.db2.gz GWZLZOARYNNHTR-QLFBSQMISA-N 0 3 262.397 2.498 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc(Cl)c[nH]2)[C@H]1CC ZINC001087501725 805598225 /nfs/dbraw/zinc/59/82/25/805598225.db2.gz XFNRQDCGKODZNO-WCQYABFASA-N 0 3 281.787 2.437 20 30 CEEDHN C=CCN1CCC[C@@](C)(CNC(=O)/C=C/c2ccc[nH]2)C1 ZINC001270958995 805699671 /nfs/dbraw/zinc/69/96/71/805699671.db2.gz SAZDKEQAJNYWDN-OZSKJFCKSA-N 0 3 287.407 2.432 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccnn2C(F)F)[C@H]1CC ZINC001087586683 805756577 /nfs/dbraw/zinc/75/65/77/805756577.db2.gz XBJHTLZRWHMUQJ-WDEREUQCSA-N 0 3 298.337 2.047 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3cc[nH]c3c2)[C@H]1CC ZINC001087618121 805762780 /nfs/dbraw/zinc/76/27/80/805762780.db2.gz CFEKUEPNGHNHTD-GOEBONIOSA-N 0 3 298.390 2.332 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@](C)(C=C)CC)C[C@@H]2C1 ZINC001088093269 805928544 /nfs/dbraw/zinc/92/85/44/805928544.db2.gz QMNJENRNQLBSKB-HLLBOEOZSA-N 0 3 274.408 2.002 20 30 CEEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)COCC ZINC001271475655 805979610 /nfs/dbraw/zinc/97/96/10/805979610.db2.gz JEHAJMMSVWARKU-ZDUSSCGKSA-N 0 3 288.819 2.136 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cn[nH]c2)C1 ZINC001088270943 806074737 /nfs/dbraw/zinc/07/47/37/806074737.db2.gz UAOKIZLGKGOCLO-CYBMUJFWSA-N 0 3 296.802 2.137 20 30 CEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H](C)C#N)C1 ZINC001088280028 806081818 /nfs/dbraw/zinc/08/18/18/806081818.db2.gz HNQDGNMVVGXVAD-YPMHNXCESA-N 0 3 283.803 2.259 20 30 CEEDHN CC(C)=CCN1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC001088523075 806348981 /nfs/dbraw/zinc/34/89/81/806348981.db2.gz QMEYKHSGFZBBKI-OCCSQVGLSA-N 0 3 286.379 2.045 20 30 CEEDHN CC(C)(O)[C@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000721873822 806411849 /nfs/dbraw/zinc/41/18/49/806411849.db2.gz NQONGBVBQGFFEQ-ZDUSSCGKSA-N 0 3 262.328 2.290 20 30 CEEDHN C=CCCC(=O)N[C@@H]1CN(CC2=CCCCC2)C[C@H]1OC ZINC001211999612 806510205 /nfs/dbraw/zinc/51/02/05/806510205.db2.gz RIZGPADIXFXHHD-HZPDHXFCSA-N 0 3 292.423 2.268 20 30 CEEDHN COCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000127783798 806544137 /nfs/dbraw/zinc/54/41/37/806544137.db2.gz JBTHEKLIVUQKJR-ZDUSSCGKSA-N 0 3 274.320 2.069 20 30 CEEDHN C=CCC1(C(=O)N(C)CCN(C)C[C@H](C)O)CCCCC1 ZINC001272178257 806570378 /nfs/dbraw/zinc/57/03/78/806570378.db2.gz FDUZHMHKXQRDRB-HNNXBMFYSA-N 0 3 296.455 2.284 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCC(OC)CC2)[C@H]1C ZINC001088826388 806782927 /nfs/dbraw/zinc/78/29/27/806782927.db2.gz KGLIWGMKSOQTPE-LMPOIIKSSA-N 0 3 294.439 2.347 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(Cl)[nH]3)[C@@H]2C1 ZINC001076216226 806827170 /nfs/dbraw/zinc/82/71/70/806827170.db2.gz PBYITCZHIUZJGM-WCQYABFASA-N 0 3 293.798 2.391 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccn3CC)[C@@H]2C1 ZINC001076576764 806862177 /nfs/dbraw/zinc/86/21/77/806862177.db2.gz ZUQZZXYCGMKDTI-GOEBONIOSA-N 0 3 287.407 2.230 20 30 CEEDHN CC(C)(O)[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000721885166 806900808 /nfs/dbraw/zinc/90/08/08/806900808.db2.gz DYOLPIIDPUEDKP-ZDUSSCGKSA-N 0 3 262.328 2.290 20 30 CEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001077360942 806905330 /nfs/dbraw/zinc/90/53/30/806905330.db2.gz DYLVBQRWMVFPPG-HZPDHXFCSA-N 0 3 294.439 2.084 20 30 CEEDHN C#CCCN(C)CCNC(=O)C1(C)CCC(F)(F)CC1 ZINC001266288144 802382773 /nfs/dbraw/zinc/38/27/73/802382773.db2.gz AEPFTZVLFGQQCE-UHFFFAOYSA-N 0 3 286.366 2.273 20 30 CEEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2cnsn2)C1 ZINC001266305964 802418842 /nfs/dbraw/zinc/41/88/42/802418842.db2.gz YZGFKRIVOWUADH-GFCCVEGCSA-N 0 3 294.424 2.089 20 30 CEEDHN N#Cc1ccc(CCN2C[C@H](CO)[C@@H](C(F)(F)F)C2)cc1 ZINC001208920324 802440365 /nfs/dbraw/zinc/44/03/65/802440365.db2.gz FQAWOWNSDUIYET-KGLIPLIRSA-N 0 3 298.308 2.203 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN([C@H](C)COC)C[C@H]1C ZINC001208954734 802443206 /nfs/dbraw/zinc/44/32/06/802443206.db2.gz QNAUWOIFRWVHQU-MGPQQGTHSA-N 0 3 282.428 2.060 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1cnc2ccccc2c1 ZINC001266329725 802447812 /nfs/dbraw/zinc/44/78/12/802447812.db2.gz FNMVVKBVGASVRX-UHFFFAOYSA-N 0 3 283.375 2.473 20 30 CEEDHN C=CCOCCN1CC[C@@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001266332942 802450768 /nfs/dbraw/zinc/45/07/68/802450768.db2.gz DABBTYRXGFVYDP-HZPDHXFCSA-N 0 3 292.423 2.126 20 30 CEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)[C@H]1CC12CCCC2 ZINC001282478237 802459097 /nfs/dbraw/zinc/45/90/97/802459097.db2.gz NMXHNRSWJTVXAV-HUUCEWRRSA-N 0 3 294.439 2.206 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1oc(CCC)nc1C ZINC001266347251 802469390 /nfs/dbraw/zinc/46/93/90/802469390.db2.gz JEUOUGFQHGZUTL-UHFFFAOYSA-N 0 3 279.384 2.173 20 30 CEEDHN C=CCC(CC=C)C(=O)NCCNCc1cnc(C)s1 ZINC001128081164 808794974 /nfs/dbraw/zinc/79/49/74/808794974.db2.gz DTGVQHIELKAVMX-UHFFFAOYSA-N 0 3 293.436 2.426 20 30 CEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CC23CC3)CC1 ZINC001167323192 802686489 /nfs/dbraw/zinc/68/64/89/802686489.db2.gz STHQBZSQZJRIQF-LBPRGKRZSA-N 0 3 282.815 2.415 20 30 CEEDHN C=CCC(C)(C)C(=O)NCCCNCc1cnoc1C ZINC001167363439 802737965 /nfs/dbraw/zinc/73/79/65/802737965.db2.gz XZZYUTBKBIDDSD-UHFFFAOYSA-N 0 3 279.384 2.181 20 30 CEEDHN C=C(C)CN(CCNC(=O)/C=C\c1ccc[nH]1)C1CC1 ZINC001266590069 802749191 /nfs/dbraw/zinc/74/91/91/802749191.db2.gz AFUPUOHEOJNSQP-YVMONPNESA-N 0 3 273.380 2.185 20 30 CEEDHN C=C(C)CN(CCNC(=O)c1cc2c[nH]ccc-2n1)C1CC1 ZINC001266597269 802754912 /nfs/dbraw/zinc/75/49/12/802754912.db2.gz XVNQQXLGCNNEPZ-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN C=C(C)CN(CCNC(=O)[C@@H]1C[C@@H]1C(C)C)C1CC1 ZINC001266615187 802780574 /nfs/dbraw/zinc/78/05/74/802780574.db2.gz BQKXDDCKVOZZNU-HUUCEWRRSA-N 0 3 264.413 2.435 20 30 CEEDHN Cc1ccc(CNCCN(C)C(=O)C#CC(C)C)cc1F ZINC001266692118 802845586 /nfs/dbraw/zinc/84/55/86/802845586.db2.gz GSYTUNXVSUVBIY-UHFFFAOYSA-N 0 3 290.382 2.342 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccn3cncc3c2)C1 ZINC001046449418 811755822 /nfs/dbraw/zinc/75/58/22/811755822.db2.gz DKHIRJVNRZDURM-KRWDZBQOSA-N 0 3 298.390 2.105 20 30 CEEDHN C=CCCCC(=O)N(C)CCNCc1cnccc1C ZINC001266821885 802922756 /nfs/dbraw/zinc/92/27/56/802922756.db2.gz BQCDRIRMNIMABQ-UHFFFAOYSA-N 0 3 275.396 2.294 20 30 CEEDHN C=CCN1CCCC[C@H]1CNC(=O)/C(C)=C/CC ZINC001266836676 802933469 /nfs/dbraw/zinc/93/34/69/802933469.db2.gz CEOXKSPVXLCAOL-CZAWJFPGSA-N 0 3 250.386 2.499 20 30 CEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC=C ZINC001266886577 802970306 /nfs/dbraw/zinc/97/03/06/802970306.db2.gz NTKVXGULUVXWNR-JKSUJKDBSA-N 0 3 274.408 2.431 20 30 CEEDHN N#Cc1csc(CN[C@@H](C2CC2)[C@@H]2CCCOC2)n1 ZINC000723951202 802972107 /nfs/dbraw/zinc/97/21/07/802972107.db2.gz ZZUGTALBVZWPNK-RISCZKNCSA-N 0 3 277.393 2.310 20 30 CEEDHN CC#CCN[C@@H](C)CNC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001266971805 803031223 /nfs/dbraw/zinc/03/12/23/803031223.db2.gz ZZBVZBKRGCIEAK-KGLIPLIRSA-N 0 3 290.382 2.437 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)/C=C(/C)C3CC3)C[C@@H]21 ZINC001041959519 803113768 /nfs/dbraw/zinc/11/37/68/803113768.db2.gz BQCBVBWQZPZYEP-HPDHUEIVSA-N 0 3 286.419 2.289 20 30 CEEDHN C#CCNCCN(C)C(=O)CC1C2CC3CC(C2)CC1C3 ZINC001267105160 803131330 /nfs/dbraw/zinc/13/13/30/803131330.db2.gz CGBYGICHXPLBHT-UHFFFAOYSA-N 0 3 288.435 2.130 20 30 CEEDHN C=C[C@H](CC(=O)N(C)CCNCC#CC)c1ccccc1 ZINC001267106294 803133200 /nfs/dbraw/zinc/13/32/00/803133200.db2.gz UMHSCWKMWGTBAN-MRXNPFEDSA-N 0 3 284.403 2.418 20 30 CEEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](C)CC(C)C)[C@H](OC)C1 ZINC001213636823 803167629 /nfs/dbraw/zinc/16/76/29/803167629.db2.gz XYSFWQITILXGCZ-BZUAXINKSA-N 0 3 296.455 2.450 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)[C@H]1CC2CCC1CC2 ZINC001267233073 803263924 /nfs/dbraw/zinc/26/39/24/803263924.db2.gz QDUIQZCJTJIZME-NRXISQOPSA-N 0 3 264.413 2.437 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)C2(C)CC2)C1 ZINC001100349978 814100219 /nfs/dbraw/zinc/10/02/19/814100219.db2.gz KZMVRKVCWWIMRH-UHFFFAOYSA-N 0 3 256.777 2.023 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1(C)CC=CC1 ZINC001267274150 803320510 /nfs/dbraw/zinc/32/05/10/803320510.db2.gz LJRBNVNMJLPUOD-CQSZACIVSA-N 0 3 262.397 2.499 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)CCCc2ccsc2)C1 ZINC001267296669 803340914 /nfs/dbraw/zinc/34/09/14/803340914.db2.gz RUUFXQKUZGFWOJ-OAHLLOKOSA-N 0 3 290.432 2.142 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)Cc2cc(C)ccc2C)C1 ZINC001267303287 803346974 /nfs/dbraw/zinc/34/69/74/803346974.db2.gz YJGRSYBILJPKKT-QGZVFWFLSA-N 0 3 298.430 2.307 20 30 CEEDHN C#CCN(CCC)CCNC(=O)C[C@@H]1CCO[C@@H](CC)C1 ZINC001267318049 803362396 /nfs/dbraw/zinc/36/23/96/803362396.db2.gz FQGXFBFLBYRYEN-CVEARBPZSA-N 0 3 294.439 2.043 20 30 CEEDHN C=CCN[C@@H](CNC(=O)[C@H](OC)C(C)C)c1ccccc1 ZINC001267369630 803418915 /nfs/dbraw/zinc/41/89/15/803418915.db2.gz FRNWCVLGMPLASC-JKSUJKDBSA-N 0 3 290.407 2.291 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccnn1C(C)C ZINC001038289088 803423310 /nfs/dbraw/zinc/42/33/10/803423310.db2.gz CGBWTUCWMJVFMC-AWEZNQCLSA-N 0 3 290.411 2.234 20 30 CEEDHN N#Cc1csc(CN[C@H](CCO)C2CCCC2)n1 ZINC000725101280 803428345 /nfs/dbraw/zinc/42/83/45/803428345.db2.gz ABHWCQFTNXLYQC-GFCCVEGCSA-N 0 3 265.382 2.046 20 30 CEEDHN CC#CCNCCN(C)C(=O)Cc1cccc(C(F)F)c1 ZINC001267402339 803457491 /nfs/dbraw/zinc/45/74/91/803457491.db2.gz IIMWFINMSNZNNL-UHFFFAOYSA-N 0 3 294.345 2.238 20 30 CEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C2=CCCC2)C1 ZINC001267453745 803470043 /nfs/dbraw/zinc/47/00/43/803470043.db2.gz GUAKRTURSMMXTM-MRXNPFEDSA-N 0 3 274.408 2.433 20 30 CEEDHN COC(=O)Cc1cc(NCCc2ccc(C#N)cc2)ccn1 ZINC001167679628 803480559 /nfs/dbraw/zinc/48/05/59/803480559.db2.gz UJNQDNXPTDVVIE-UHFFFAOYSA-N 0 3 295.342 2.323 20 30 CEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)CC)C(C)(C)[C@H]21 ZINC001087264129 803482917 /nfs/dbraw/zinc/48/29/17/803482917.db2.gz ADQBKYYMWKJTHD-SNPRPXQTSA-N 0 3 262.397 2.025 20 30 CEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)C3CCC3)C(C)(C)[C@H]21 ZINC001087267650 803488919 /nfs/dbraw/zinc/48/89/19/803488919.db2.gz FDLDFSITHWNAQH-PMPSAXMXSA-N 0 3 288.435 2.415 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CC)C1 ZINC001111592148 803490330 /nfs/dbraw/zinc/49/03/30/803490330.db2.gz MWKLOZQJXJNPDV-IPYPFGDCSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@H]2CCN(CC#CC)[C@@H]2C1 ZINC001042181179 803497802 /nfs/dbraw/zinc/49/78/02/803497802.db2.gz DOHZBQFQNPJZKF-HUUCEWRRSA-N 0 3 274.408 2.145 20 30 CEEDHN C#CCCN[C@@H](CNC(=O)C(C)C)c1ccccc1 ZINC001267517376 803521030 /nfs/dbraw/zinc/52/10/30/803521030.db2.gz OZDQSQRTXSWQCV-HNNXBMFYSA-N 0 3 258.365 2.113 20 30 CEEDHN C=CCN[C@@H](CNC(=O)COC(C)C)c1ccccc1 ZINC001267518074 803521458 /nfs/dbraw/zinc/52/14/58/803521458.db2.gz WVMOIVPJBAVPBV-HNNXBMFYSA-N 0 3 276.380 2.045 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H]2CCCO2)C1 ZINC001267538982 803535685 /nfs/dbraw/zinc/53/56/85/803535685.db2.gz KZTNRCLXFGSLGL-HUUCEWRRSA-N 0 3 280.412 2.054 20 30 CEEDHN N#Cc1ccc(Cl)nc1-n1nc(CN)c2ccccc21 ZINC001167695331 803560311 /nfs/dbraw/zinc/56/03/11/803560311.db2.gz GMGDEYBVRACYRY-UHFFFAOYSA-N 0 3 283.722 2.404 20 30 CEEDHN C=C[C@@H](CC(=O)NCC1CN(CC)C1)c1ccccc1 ZINC001267699399 803664166 /nfs/dbraw/zinc/66/41/66/803664166.db2.gz RFCYZMXTZTXQKO-HNNXBMFYSA-N 0 3 272.392 2.414 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cccn1CC=C ZINC001038345608 803667454 /nfs/dbraw/zinc/66/74/54/803667454.db2.gz QDCRUOCJPUKBQX-CQSZACIVSA-N 0 3 273.380 2.054 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC=CCC3)[C@@H]2C1 ZINC001075539896 803671339 /nfs/dbraw/zinc/67/13/39/803671339.db2.gz ZFFXNELTKNTPBD-OWCLPIDISA-N 0 3 274.408 2.452 20 30 CEEDHN CC/C=C\CCN1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001267931214 803827250 /nfs/dbraw/zinc/82/72/50/803827250.db2.gz MYBPZMYVJPGPCB-MJSXRHKHSA-N 0 3 274.408 2.337 20 30 CEEDHN C=C(C)CCC(=O)N[C@@H]1CCCN(C[C@H]2CCCCO2)C1 ZINC001267937194 803831061 /nfs/dbraw/zinc/83/10/61/803831061.db2.gz JPCAWGRHCAPCHG-HZPDHXFCSA-N 0 3 294.439 2.492 20 30 CEEDHN C#CCNCc1ccc(CNC(=O)[C@@H](C)c2ccco2)cc1 ZINC001267939217 803832213 /nfs/dbraw/zinc/83/22/13/803832213.db2.gz RZWIPMKOZGKCNH-AWEZNQCLSA-N 0 3 296.370 2.422 20 30 CEEDHN C/C=C(\C)C(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001026765635 803875003 /nfs/dbraw/zinc/87/50/03/803875003.db2.gz XNRFDSCLXMWNHY-PHTHZBSUSA-N 0 3 297.402 2.463 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccn(C)c1CC ZINC001038698816 803973043 /nfs/dbraw/zinc/97/30/43/803973043.db2.gz ITSPHVSIKWEXEY-AWEZNQCLSA-N 0 3 289.423 2.358 20 30 CEEDHN CC[C@H](C)[C@H]([NH2+][C@@H]1CCc2c(F)cccc2C1)C(=O)N[O-] ZINC001171418823 814982882 /nfs/dbraw/zinc/98/28/82/814982882.db2.gz LGODCAAKCJKAMQ-NVBFEUDRSA-N 0 3 294.370 2.193 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C(C)(C)C(C)C)C1 ZINC001027424334 804071057 /nfs/dbraw/zinc/07/10/57/804071057.db2.gz WRHMCGPJCVIHQI-CQSZACIVSA-N 0 3 264.413 2.225 20 30 CEEDHN CC(C)[C@H]1CN(C)CCN1Cc1csc(C#N)c1 ZINC000893460339 804072946 /nfs/dbraw/zinc/07/29/46/804072946.db2.gz HMHNFKXOCSPMDK-CQSZACIVSA-N 0 3 263.410 2.392 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC001027672608 804189931 /nfs/dbraw/zinc/18/99/31/804189931.db2.gz FJOUCQBEGIPEGP-HNNXBMFYSA-N 0 3 292.329 2.134 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCc2ccc(C)o2)C1 ZINC001027692434 804196323 /nfs/dbraw/zinc/19/63/23/804196323.db2.gz JBFXBDBCHWRPCU-HNNXBMFYSA-N 0 3 288.391 2.077 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2ccc(C)s2)C1 ZINC001027693108 804198084 /nfs/dbraw/zinc/19/80/84/804198084.db2.gz RWONLJHMHWMKHH-AWEZNQCLSA-N 0 3 290.432 2.155 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1occc1C ZINC001027754362 804239206 /nfs/dbraw/zinc/23/92/06/804239206.db2.gz DMBGCIANMMKBKV-CYBMUJFWSA-N 0 3 262.353 2.358 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001027894358 804326745 /nfs/dbraw/zinc/32/67/45/804326745.db2.gz KZUMEDPRQOAVTE-FXUDXRNXSA-N 0 3 274.408 2.355 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001027930504 804350052 /nfs/dbraw/zinc/35/00/52/804350052.db2.gz QGHNHYVTCUZIPS-MRXNPFEDSA-N 0 3 299.418 2.423 20 30 CEEDHN CC#CCCCC(=O)N(C)[C@@H](C)CNCc1cncs1 ZINC001268080893 804386411 /nfs/dbraw/zinc/38/64/11/804386411.db2.gz LAUQNDQIYOYTAX-ZDUSSCGKSA-N 0 3 293.436 2.273 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccc2nccn21 ZINC001028024809 804399666 /nfs/dbraw/zinc/39/96/66/804399666.db2.gz VFSRLUDQRJTRCP-AWEZNQCLSA-N 0 3 298.390 2.105 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1nccc2occc21 ZINC001028038766 804406236 /nfs/dbraw/zinc/40/62/36/804406236.db2.gz CMUQLYAGOAIRAH-GFCCVEGCSA-N 0 3 285.347 2.208 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001028043938 804409079 /nfs/dbraw/zinc/40/90/79/804409079.db2.gz BFKBQACQUNNSNV-HNNXBMFYSA-N 0 3 287.407 2.469 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001028052474 804414671 /nfs/dbraw/zinc/41/46/71/804414671.db2.gz IXQJUFYFUCVAST-CYBMUJFWSA-N 0 3 289.379 2.016 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccnc2ccncc21 ZINC001028055189 804416939 /nfs/dbraw/zinc/41/69/39/804416939.db2.gz RFUWRAVASYEXBN-ZDUSSCGKSA-N 0 3 296.374 2.010 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001028077597 804435078 /nfs/dbraw/zinc/43/50/78/804435078.db2.gz UTQUKDMRBIBGES-CHWSQXEVSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001028101058 804458838 /nfs/dbraw/zinc/45/88/38/804458838.db2.gz OYCKRDKNBNLNIR-GOEBONIOSA-N 0 3 288.366 2.232 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccn(C(C)C)n1 ZINC001028176350 804516152 /nfs/dbraw/zinc/51/61/52/804516152.db2.gz CQKKRIUKDIRQQJ-AWEZNQCLSA-N 0 3 290.411 2.234 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)COC2 ZINC001028197686 804535759 /nfs/dbraw/zinc/53/57/59/804535759.db2.gz ORUCLCKNMZEFSN-MRXNPFEDSA-N 0 3 286.375 2.097 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1ccc2nc(C)oc2c1 ZINC001268240748 804568167 /nfs/dbraw/zinc/56/81/67/804568167.db2.gz DGEXGMDHLOGUBG-UHFFFAOYSA-N 0 3 287.363 2.326 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)c1cccc2oc(C)nc21 ZINC001268260681 804582239 /nfs/dbraw/zinc/58/22/39/804582239.db2.gz XWJSUCTWORFXJW-UHFFFAOYSA-N 0 3 299.374 2.163 20 30 CEEDHN C#CCCCC(=O)NCCNCc1csc(C)c1 ZINC001126338856 804597488 /nfs/dbraw/zinc/59/74/88/804597488.db2.gz KUGHQLGTJBUOLT-UHFFFAOYSA-N 0 3 264.394 2.066 20 30 CEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cncc(CC)c1 ZINC001268386359 804644489 /nfs/dbraw/zinc/64/44/89/804644489.db2.gz VCSYIIGOBBWYQZ-GFCCVEGCSA-N 0 3 295.814 2.495 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001028295572 804700213 /nfs/dbraw/zinc/70/02/13/804700213.db2.gz KDCFBIOFRDNAQU-QGZVFWFLSA-N 0 3 284.403 2.467 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001028307881 804707879 /nfs/dbraw/zinc/70/78/79/804707879.db2.gz RMXRMRMRECDYJZ-OAHLLOKOSA-N 0 3 295.386 2.385 20 30 CEEDHN C#CCCCC(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001126357444 804717198 /nfs/dbraw/zinc/71/71/98/804717198.db2.gz ZOHOYTOSXCTEAU-ZDUSSCGKSA-N 0 3 276.355 2.396 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(C)nc1C ZINC001028332471 804717486 /nfs/dbraw/zinc/71/74/86/804717486.db2.gz VOJILSVAIPJBBM-HNNXBMFYSA-N 0 3 287.407 2.469 20 30 CEEDHN N#Cc1cccc(CN2CC[C@H](CNC(=O)C3CCC3)C2)c1 ZINC001028366739 804736833 /nfs/dbraw/zinc/73/68/33/804736833.db2.gz HDYVXOLBGDTPOG-MRXNPFEDSA-N 0 3 297.402 2.296 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)C2CCCCCC2)C1 ZINC001028444371 804769122 /nfs/dbraw/zinc/76/91/22/804769122.db2.gz YVIGWAOGCDSZGU-AWEZNQCLSA-N 0 3 262.397 2.028 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2sccc2Cl)C1 ZINC001028558652 804837763 /nfs/dbraw/zinc/83/77/63/804837763.db2.gz RIFIDFNQIYXDJH-NSHDSACASA-N 0 3 296.823 2.477 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2coc3c2cccc3C)C1 ZINC001028595816 804887084 /nfs/dbraw/zinc/88/70/84/804887084.db2.gz JXQCJXBBDHJZQE-CQSZACIVSA-N 0 3 296.370 2.426 20 30 CEEDHN CC#CCNC/C=C\CNC(=O)c1cc2c(C)cccn2c1 ZINC001268613873 804891504 /nfs/dbraw/zinc/89/15/04/804891504.db2.gz QTINFFZEDZCMRF-WAYWQWQTSA-N 0 3 295.386 2.147 20 30 CEEDHN C/C=C(\C)C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001268681039 804925808 /nfs/dbraw/zinc/92/58/08/804925808.db2.gz CSAGUIWVBJCOJO-HIICFIELSA-N 0 3 288.366 2.238 20 30 CEEDHN C=CCCC(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001268682945 804926885 /nfs/dbraw/zinc/92/68/85/804926885.db2.gz QCRMTGZLXLTNKG-HNNXBMFYSA-N 0 3 270.376 2.099 20 30 CEEDHN C=C(C)CCC(=O)N[C@@H](C)CNCc1cccnc1C ZINC001268687778 804928213 /nfs/dbraw/zinc/92/82/13/804928213.db2.gz GBPVJPWNTNLHRU-ZDUSSCGKSA-N 0 3 275.396 2.341 20 30 CEEDHN C=C[C@@H](CC)CC(=O)N[C@@H](C)CNCc1ccccn1 ZINC001268699765 804933208 /nfs/dbraw/zinc/93/32/08/804933208.db2.gz TZYKKWQWKWKNNS-KBPBESRZSA-N 0 3 275.396 2.278 20 30 CEEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccnn1C1CCCC1 ZINC001268732136 804950156 /nfs/dbraw/zinc/95/01/56/804950156.db2.gz GHJVKMCIJCHXPF-ZDUSSCGKSA-N 0 3 290.411 2.234 20 30 CEEDHN C=CCN(C)C[C@H](C)NC(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC001268735611 804952158 /nfs/dbraw/zinc/95/21/58/804952158.db2.gz LJTGTRDEZIDQIR-NEPJUHHUSA-N 0 3 292.427 2.143 20 30 CEEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001269213799 805086353 /nfs/dbraw/zinc/08/63/53/805086353.db2.gz FKBNZAGEKOYTSL-BYNSBNAKSA-N 0 3 262.397 2.189 20 30 CEEDHN C#CCCCC(=O)N(CC)[C@H]1CCN(CC(=C)C)C1 ZINC001269324352 805130445 /nfs/dbraw/zinc/13/04/45/805130445.db2.gz JYDCYQPIYRZKGL-HNNXBMFYSA-N 0 3 262.397 2.289 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001028708813 805143571 /nfs/dbraw/zinc/14/35/71/805143571.db2.gz WPLVIMHRBZPTEW-LTIDMASMSA-N 0 3 288.435 2.274 20 30 CEEDHN Cc1ccc(CNC2(CNC(=O)C#CC(C)C)CC2)c(C)n1 ZINC001269407705 805155291 /nfs/dbraw/zinc/15/52/91/805155291.db2.gz PUGYRGWUHPQYHI-UHFFFAOYSA-N 0 3 299.418 2.096 20 30 CEEDHN C#CCCN(C)CCN(C(=O)c1ccc(C)nc1)C(C)C ZINC001284528749 805183669 /nfs/dbraw/zinc/18/36/69/805183669.db2.gz ZSOSMZKYESSHEN-UHFFFAOYSA-N 0 3 287.407 2.196 20 30 CEEDHN C#CCNC1(CNC(=O)C[C@@H](CC)c2ccccc2)CC1 ZINC001269518284 805186830 /nfs/dbraw/zinc/18/68/30/805186830.db2.gz CXDLDMOQDGZWMA-OAHLLOKOSA-N 0 3 284.403 2.442 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCCOC ZINC001269584209 805204941 /nfs/dbraw/zinc/20/49/41/805204941.db2.gz UXSLQWJZOKIBDG-CVEARBPZSA-N 0 3 294.439 2.445 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCOCC ZINC001269584398 805205768 /nfs/dbraw/zinc/20/57/68/805205768.db2.gz WWKFKCWZCFVPQR-CVEARBPZSA-N 0 3 294.439 2.445 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2cc[nH]c2CCC)C1 ZINC001028759243 805216410 /nfs/dbraw/zinc/21/64/10/805216410.db2.gz PPHMUVSJJATQFB-CQSZACIVSA-N 0 3 287.407 2.042 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)C3(CC=C)CCC3)C2)C1 ZINC001269735447 805241124 /nfs/dbraw/zinc/24/11/24/805241124.db2.gz AENPGOPFPRTVFI-QGZVFWFLSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc(C(C)C)oc2C)C1 ZINC001028900706 805343500 /nfs/dbraw/zinc/34/35/00/805343500.db2.gz IYSIRYITHQCFJK-AWEZNQCLSA-N 0 3 288.391 2.396 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(C3CC3)s2)C1 ZINC001028929531 805364502 /nfs/dbraw/zinc/36/45/02/805364502.db2.gz GZJZAYWQUXFCHW-LBPRGKRZSA-N 0 3 288.416 2.310 20 30 CEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccoc3CC)[C@@H]2C1 ZINC001075748152 805387018 /nfs/dbraw/zinc/38/70/18/805387018.db2.gz QMYPUZDCLJMFKY-DZGCQCFKSA-N 0 3 286.375 2.012 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(Cl)s2)C1 ZINC001028968265 805392512 /nfs/dbraw/zinc/39/25/12/805392512.db2.gz LWFJOECHAALWRF-SNVBAGLBSA-N 0 3 282.796 2.086 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc(CC)c(C)s2)C1 ZINC001028973976 805396102 /nfs/dbraw/zinc/39/61/02/805396102.db2.gz XBIXAGKTMOSENA-ZDUSSCGKSA-N 0 3 290.432 2.304 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001029000083 805421765 /nfs/dbraw/zinc/42/17/65/805421765.db2.gz XSSQOQXOXJHACV-AWEZNQCLSA-N 0 3 282.387 2.249 20 30 CEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)Cc2ccco2)C1 ZINC001280230451 805448719 /nfs/dbraw/zinc/44/87/19/805448719.db2.gz IURZWXYPQMTJCM-ZDUSSCGKSA-N 0 3 296.798 2.403 20 30 CEEDHN CC#CCN1CCC([C@H](C)NC(=O)CC(C)C)CC1 ZINC001279112397 805465354 /nfs/dbraw/zinc/46/53/54/805465354.db2.gz XKNIYPGHDFVNQN-AWEZNQCLSA-N 0 3 264.413 2.273 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001119376845 815101630 /nfs/dbraw/zinc/10/16/30/815101630.db2.gz DURTXULAAVWJCD-NNYUYHANSA-N 0 3 256.777 2.151 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)[C@H]1C ZINC001088904614 807270931 /nfs/dbraw/zinc/27/09/31/807270931.db2.gz RBUIPWKKJOMZPC-UWLPGLTFSA-N 0 3 296.414 2.337 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccn3ccnc23)[C@H]1C ZINC001088916389 807273304 /nfs/dbraw/zinc/27/33/04/807273304.db2.gz PQQNZQMUGFIXDO-HIFRSBDPSA-N 0 3 298.390 2.103 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn(C(C)C)c2)[C@H]1C ZINC001088974758 807301627 /nfs/dbraw/zinc/30/16/27/807301627.db2.gz LFNKRLNKHZYOIR-HIFRSBDPSA-N 0 3 290.411 2.233 20 30 CEEDHN C[C@H](C#N)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC000716261757 815108903 /nfs/dbraw/zinc/10/89/03/815108903.db2.gz GWJKJQAUHHCJKW-FMKPAKJESA-N 0 3 285.391 2.173 20 30 CEEDHN C#CC[C@H](COC)NCc1ccc(OCC)c(OC)c1 ZINC000716916674 815159775 /nfs/dbraw/zinc/15/97/75/815159775.db2.gz QPQKAYUKPAOWHT-CQSZACIVSA-N 0 3 277.364 2.222 20 30 CEEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccc(C)nc2)[C@H]1C ZINC000994427184 807926449 /nfs/dbraw/zinc/92/64/49/807926449.db2.gz VAOWEKKPDAWERW-ZBFHGGJFSA-N 0 3 287.407 2.088 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2ccc3cnccc3n2)C1 ZINC001015756674 807926793 /nfs/dbraw/zinc/92/67/93/807926793.db2.gz KWUPOYIGOYBDHC-CQSZACIVSA-N 0 3 296.374 2.010 20 30 CEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccon1 ZINC001089612475 808070601 /nfs/dbraw/zinc/07/06/01/808070601.db2.gz BKWIXPJCEVLKSK-ZDUSSCGKSA-N 0 3 291.395 2.471 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001089609017 808071453 /nfs/dbraw/zinc/07/14/53/808071453.db2.gz GDJNBXNPIPDKEG-CYBMUJFWSA-N 0 3 275.396 2.421 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC001089639071 808081566 /nfs/dbraw/zinc/08/15/66/808081566.db2.gz MTRNBZMWUBJWCQ-NWDGAFQWSA-N 0 3 286.366 2.434 20 30 CEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2cn[nH]c2)cc1 ZINC001272683709 808130144 /nfs/dbraw/zinc/13/01/44/808130144.db2.gz RDPMIWMBCVQQIT-ZDUSSCGKSA-N 0 3 296.374 2.014 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2c(F)cc(F)cc2F)C1 ZINC001031944146 808210927 /nfs/dbraw/zinc/21/09/27/808210927.db2.gz RYCZKEHLIJJAIO-UHFFFAOYSA-N 0 3 298.308 2.342 20 30 CEEDHN C#CCCN1CC(CNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001032005823 808239985 /nfs/dbraw/zinc/23/99/85/808239985.db2.gz QQACBBUUDFVZBM-FVQHAEBGSA-N 0 3 288.435 2.274 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)sn2)C1 ZINC001098812027 808364214 /nfs/dbraw/zinc/36/42/14/808364214.db2.gz YOKUVIKWJHJAAQ-WFASDCNBSA-N 0 3 291.420 2.222 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)COC1CCCC1 ZINC001032295931 808399620 /nfs/dbraw/zinc/39/96/20/808399620.db2.gz WHFXQYDABNWLQW-GJZGRUSLSA-N 0 3 292.423 2.197 20 30 CEEDHN CCCCCCC[C@H](C)NC(=O)N(C)C[C@H]1CNCCO1 ZINC001239259529 808553524 /nfs/dbraw/zinc/55/35/24/808553524.db2.gz IAUQLCSXALNQSN-LSDHHAIUSA-N 0 3 299.459 2.365 20 30 CEEDHN C=C(C)CN1CC[C@]2(CCN(Cc3cncs3)C2)C1=O ZINC001272752560 808576514 /nfs/dbraw/zinc/57/65/14/808576514.db2.gz UKFSYLAIMLOZCT-HNNXBMFYSA-N 0 3 291.420 2.144 20 30 CEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1(C(F)F)CC1 ZINC001272771967 808641553 /nfs/dbraw/zinc/64/15/53/808641553.db2.gz BCLNUKBZWPNLFF-SECBINFHSA-N 0 3 280.746 2.269 20 30 CEEDHN C=CCN1CCC2(CCN(Cc3cc(C)ccn3)CC2)C1=O ZINC001272781731 808662836 /nfs/dbraw/zinc/66/28/36/808662836.db2.gz GXGAUIVVKMPIMO-UHFFFAOYSA-N 0 3 299.418 2.391 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(C=C)CC ZINC001032607490 808728177 /nfs/dbraw/zinc/72/81/77/808728177.db2.gz VGFVYYCJEMZVDN-OFQRWUPVSA-N 0 3 262.397 2.450 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cccnc1 ZINC001032736693 808815449 /nfs/dbraw/zinc/81/54/49/808815449.db2.gz YVNQGCCDAYHDJK-BPUTZDHNSA-N 0 3 285.391 2.046 20 30 CEEDHN C[C@@H](O)CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC001120596668 815243093 /nfs/dbraw/zinc/24/30/93/815243093.db2.gz INROZDNNHOXBBZ-SNVBAGLBSA-N 0 3 257.255 2.027 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccon2)C12CCC2 ZINC001078564824 808918382 /nfs/dbraw/zinc/91/83/82/808918382.db2.gz XMHXPLZSLMNMPX-RYUDHWBXSA-N 0 3 295.770 2.058 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2cccs2)C1 ZINC001032870124 809100657 /nfs/dbraw/zinc/10/06/57/809100657.db2.gz NBJFHVFMORKECP-ZDUSSCGKSA-N 0 3 278.421 2.399 20 30 CEEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H]2CCC(C)(C)CO2)C1 ZINC001033277620 809257119 /nfs/dbraw/zinc/25/71/19/809257119.db2.gz ZGHVZLLWDFJSCM-LSDHHAIUSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1[O-])C2 ZINC001094864079 815279783 /nfs/dbraw/zinc/27/97/83/815279783.db2.gz FNDBTRLOLSUBMA-MJBXVCDLSA-N 0 3 286.375 2.161 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc3c([nH]2)CCC3)C1 ZINC001033575710 809344527 /nfs/dbraw/zinc/34/45/27/809344527.db2.gz LUXRHOVVFCYPTO-CQSZACIVSA-N 0 3 287.407 2.226 20 30 CEEDHN C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(CC=C(C)C)C2)nc1 ZINC001033596947 809350851 /nfs/dbraw/zinc/35/08/51/809350851.db2.gz PNNOALZRYHTIMY-MRXNPFEDSA-N 0 3 297.402 2.175 20 30 CEEDHN N#CC1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC001143182883 809360812 /nfs/dbraw/zinc/36/08/12/809360812.db2.gz GOVFNDKHBDTLDI-OAHLLOKOSA-N 0 3 283.375 2.243 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2(c3ccccc3)CC2)C1 ZINC001033640966 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C=CCCN1CC[C@H](N(CC)C(=O)c2ocnc2CC)C1 ZINC001033946085 809463990 /nfs/dbraw/zinc/46/39/90/809463990.db2.gz CVWRZYZITSIZOK-ZDUSSCGKSA-N 0 3 291.395 2.350 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(F)nc2)C1 ZINC001034134616 809527338 /nfs/dbraw/zinc/52/73/38/809527338.db2.gz KLHGOOGPGLRFMB-CQSZACIVSA-N 0 3 291.370 2.381 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001034156423 809529587 /nfs/dbraw/zinc/52/95/87/809529587.db2.gz ZYXSOFVJIWESBR-HUUCEWRRSA-N 0 3 275.396 2.206 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2coc(C)n2)C1 ZINC001034177592 809545674 /nfs/dbraw/zinc/54/56/74/809545674.db2.gz JFAFWIZSPPATSR-CYBMUJFWSA-N 0 3 277.368 2.143 20 30 CEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccncc2CC)C1 ZINC001034284421 809570589 /nfs/dbraw/zinc/57/05/89/809570589.db2.gz KJLIPAQUULHXLR-INIZCTEOSA-N 0 3 299.418 2.252 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001034376215 809593481 /nfs/dbraw/zinc/59/34/81/809593481.db2.gz KOEMZNMEXKARPV-AWEZNQCLSA-N 0 3 262.397 2.499 20 30 CEEDHN C#CCCN1CCCC[C@H](NC(=O)c2occc2CC)C1 ZINC001034384727 809594766 /nfs/dbraw/zinc/59/47/66/809594766.db2.gz MQMLPCJGJYUEMX-HNNXBMFYSA-N 0 3 288.391 2.450 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2nocc2C)C1 ZINC001034477152 809614637 /nfs/dbraw/zinc/61/46/37/809614637.db2.gz MANKXDNVXURGGI-CYBMUJFWSA-N 0 3 277.368 2.143 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H]2CCCCN(CC(=C)C)C2)nc1 ZINC001034492311 809617514 /nfs/dbraw/zinc/61/75/14/809617514.db2.gz BYILKXSPIHVCDD-INIZCTEOSA-N 0 3 297.402 2.223 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C)nc2C)C1 ZINC001034539515 809628300 /nfs/dbraw/zinc/62/83/00/809628300.db2.gz CZUYHWMXPUIHTQ-OAHLLOKOSA-N 0 3 287.407 2.469 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)/C=C\C1CC1)CC2 ZINC001035674476 809800965 /nfs/dbraw/zinc/80/09/65/809800965.db2.gz UPACZZURAHGIPL-WAYWQWQTSA-N 0 3 274.408 2.453 20 30 CEEDHN C=CCC(CC=C)C(=O)NC[C@H]1CCCCN1C ZINC001121244281 815323147 /nfs/dbraw/zinc/32/31/47/815323147.db2.gz ATECPTAVIIUTCZ-CQSZACIVSA-N 0 3 250.386 2.355 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(F)c2)C1 ZINC001079376785 810205519 /nfs/dbraw/zinc/20/55/19/810205519.db2.gz LHEMYKGLYVYOFX-IUODEOHRSA-N 0 3 276.355 2.452 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001079400506 810205818 /nfs/dbraw/zinc/20/58/18/810205818.db2.gz QHXIQTBXHZNFNC-QLFBSQMISA-N 0 3 262.397 2.355 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001014910344 810243683 /nfs/dbraw/zinc/24/36/83/810243683.db2.gz PVDYLDGAPSNKAF-CABCVRRESA-N 0 3 262.397 2.499 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001014922784 810246613 /nfs/dbraw/zinc/24/66/13/810246613.db2.gz CVLHDMYQZPNESP-KBPBESRZSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001080109192 810249027 /nfs/dbraw/zinc/24/90/27/810249027.db2.gz CSHRNJXUHNBPNJ-AAVRWANBSA-N 0 3 264.413 2.291 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001080146013 810251720 /nfs/dbraw/zinc/25/17/20/810251720.db2.gz 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C=CCCN1CC[C@@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001016150202 810403995 /nfs/dbraw/zinc/40/39/95/810403995.db2.gz OCKNZXFSUIALBJ-GFCCVEGCSA-N 0 3 280.318 2.345 20 30 CEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)CCC3CC3)[C@H]2C1 ZINC001083028546 810420200 /nfs/dbraw/zinc/42/02/00/810420200.db2.gz VGXUTJBYGMRGKM-JKSUJKDBSA-N 0 3 292.423 2.054 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001016373004 810429655 /nfs/dbraw/zinc/42/96/55/810429655.db2.gz DKLZBZRAJQGSRL-APWZRJJASA-N 0 3 296.414 2.104 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc3n(c2)CCCC3)C1 ZINC001016448908 810439608 /nfs/dbraw/zinc/43/96/08/810439608.db2.gz WLKOPQZVZQJIBD-OAHLLOKOSA-N 0 3 287.407 2.205 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccc(C)o3)[C@@H]2C1 ZINC001084171077 810442593 /nfs/dbraw/zinc/44/25/93/810442593.db2.gz UUNAMQXTAVSSNE-ZIAGYGMSSA-N 0 3 274.364 2.310 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C(C)=C2CCCC2)CC1 ZINC001016563524 810452544 /nfs/dbraw/zinc/45/25/44/810452544.db2.gz ICFLMOKKFOZLEZ-INIZCTEOSA-N 0 3 286.419 2.481 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccoc2Cl)CC1 ZINC001016594936 810456013 /nfs/dbraw/zinc/45/60/13/810456013.db2.gz IBQKDCJVRMTQLS-LBPRGKRZSA-N 0 3 292.766 2.151 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C2CCC(F)CC2)CC1 ZINC001016808348 810469605 /nfs/dbraw/zinc/46/96/05/810469605.db2.gz VNJHRFULBPFIRG-NRXISQOPSA-N 0 3 292.398 2.119 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccccc2CC)CC1 ZINC001016792722 810469898 /nfs/dbraw/zinc/46/98/98/810469898.db2.gz WDUUZKZVRRPXLZ-KRWDZBQOSA-N 0 3 296.414 2.467 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C2CCC(F)CC2)CC1 ZINC001016808350 810470277 /nfs/dbraw/zinc/47/02/77/810470277.db2.gz VNJHRFULBPFIRG-YMAMQOFZSA-N 0 3 292.398 2.119 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001016874769 810475660 /nfs/dbraw/zinc/47/56/60/810475660.db2.gz YGHCPDQWBMOUQR-XHSDSOJGSA-N 0 3 286.419 2.027 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)c3cccnc3)[C@@H]2C1 ZINC001084780760 810516616 /nfs/dbraw/zinc/51/66/16/810516616.db2.gz 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/nfs/dbraw/zinc/38/01/68/815380168.db2.gz HJSJQAYNLGMRJY-UONOGXRCSA-N 0 3 268.401 2.086 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CCC2 ZINC001018005156 810580891 /nfs/dbraw/zinc/58/08/91/810580891.db2.gz OYBYWJAETOWGOI-QLFBSQMISA-N 0 3 274.408 2.428 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@@H]1C ZINC001018106178 810587495 /nfs/dbraw/zinc/58/74/95/810587495.db2.gz OYTSQTNYZDCOEM-WCVJEAGWSA-N 0 3 292.423 2.053 20 30 CEEDHN CCO/C=C/[C@](O)(CN[C@@H]1CC[C@@H](C#N)C1)C(F)(F)F ZINC000823316141 810611034 /nfs/dbraw/zinc/61/10/34/810611034.db2.gz IXVOFCABKCOAQY-QEPQOOGFSA-N 0 3 292.301 2.112 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](c2nc(C)cs2)C1 ZINC001122119648 815385599 /nfs/dbraw/zinc/38/55/99/815385599.db2.gz ONFNJJSMTFNUHZ-STQMWFEESA-N 0 3 293.436 2.451 20 30 CEEDHN CC[C@H](F)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001019246540 810690142 /nfs/dbraw/zinc/69/01/42/810690142.db2.gz MSRVLRBNNTWZFJ-GWCFXTLKSA-N 0 3 295.383 2.058 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C(C2CCC2)C2CCC2)C1 ZINC001019293731 810696136 /nfs/dbraw/zinc/69/61/36/810696136.db2.gz HFOQJSASPVIMMZ-HNNXBMFYSA-N 0 3 274.408 2.027 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cn(CCF)cn1 ZINC001172300078 815389704 /nfs/dbraw/zinc/38/97/04/815389704.db2.gz QOYAZFNVSDPZJG-CYBMUJFWSA-N 0 3 286.354 2.445 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2oc3ccccc3c2C)C1 ZINC001019737869 810735370 /nfs/dbraw/zinc/73/53/70/810735370.db2.gz YJLISQMMGIJNRA-ZDUSSCGKSA-N 0 3 282.343 2.179 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCCc1cc(F)ccc1OC ZINC001122215541 815393716 /nfs/dbraw/zinc/39/37/16/815393716.db2.gz ZFDZLPIKMQAHEN-CQSZACIVSA-N 0 3 294.370 2.177 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc(CC)n2)C1 ZINC001020245350 810781941 /nfs/dbraw/zinc/78/19/41/810781941.db2.gz IKHLVWDXEYNYLT-JOCQHMNTSA-N 0 3 293.798 2.247 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC=CCC1 ZINC001085481657 810782139 /nfs/dbraw/zinc/78/21/39/810782139.db2.gz LMIAESSYXVEKEV-HUUCEWRRSA-N 0 3 262.397 2.452 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccsc1 ZINC001122283575 815398792 /nfs/dbraw/zinc/39/87/92/815398792.db2.gz VRPGVUDHWYLWND-SCZZXKLOSA-N 0 3 258.774 2.395 20 30 CEEDHN CCCCCCC[C@@H](CC)NS(=O)(=O)CCN ZINC001172347372 815398706 /nfs/dbraw/zinc/39/87/06/815398706.db2.gz UKFAMNZQVWMPAK-GFCCVEGCSA-N 0 3 264.435 2.004 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c(C)ccn1C ZINC001085568865 810831715 /nfs/dbraw/zinc/83/17/15/810831715.db2.gz SYMAAXOIDVSKMH-OAHLLOKOSA-N 0 3 289.423 2.446 20 30 CEEDHN CCCCCCC[C@H](CC)N1CC(N2CCNC(=O)C2)C1 ZINC001172355300 815401441 /nfs/dbraw/zinc/40/14/41/815401441.db2.gz NRCNDRTVFGIRDR-HNNXBMFYSA-N 0 3 295.471 2.242 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1[nH]c(C)cc1C ZINC001085675910 810871499 /nfs/dbraw/zinc/87/14/99/810871499.db2.gz CIYFGDCXEJSMCI-AWEZNQCLSA-N 0 3 275.396 2.354 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001038663896 810882868 /nfs/dbraw/zinc/88/28/68/810882868.db2.gz DWXSVILERMECSN-LZWOXQAQSA-N 0 3 262.397 2.333 20 30 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C=CCN1CCC2(CN(C(=O)c3oc(CC)cc3C)C2)C1 ZINC001073128228 813729395 /nfs/dbraw/zinc/72/93/95/813729395.db2.gz WGLCUFAEKSIRTP-UHFFFAOYSA-N 0 3 288.391 2.484 20 30 CEEDHN N=C(Nc1ccnc(CN)c1)c1ccc2ccccc2n1 ZINC001171048275 813768200 /nfs/dbraw/zinc/76/82/00/813768200.db2.gz NPLWSCDPTZPLAK-UHFFFAOYSA-N 0 3 277.331 2.126 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001098817410 813953618 /nfs/dbraw/zinc/95/36/18/813953618.db2.gz XLUNIEAHJISIMW-ASHKBJFXSA-N 0 3 284.350 2.044 20 30 CEEDHN C=CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccns2)C1 ZINC001098861147 813958329 /nfs/dbraw/zinc/95/83/29/813958329.db2.gz ICIFHXKPTLQRKB-WFASDCNBSA-N 0 3 291.420 2.304 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)c(C)n2)C1 ZINC001098944194 813964972 /nfs/dbraw/zinc/96/49/72/813964972.db2.gz FDICQQAAMFCFSA-YJBOKZPZSA-N 0 3 299.418 2.469 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)OC ZINC001098959302 813967422 /nfs/dbraw/zinc/96/74/22/813967422.db2.gz DTNWXLBJLGXLBJ-ZIAGYGMSSA-N 0 3 282.428 2.204 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001099039047 813980335 /nfs/dbraw/zinc/98/03/35/813980335.db2.gz NSWRVLKBLKEEND-DLTWYDFYSA-N 0 3 274.408 2.027 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)c2cccnc2)C1 ZINC001099124896 813990081 /nfs/dbraw/zinc/99/00/81/813990081.db2.gz HUQOEORAFJPEEZ-HFTRVMKXSA-N 0 3 299.418 2.342 20 30 CEEDHN C=CCCOCC(=O)NC[C@@H]1CCC(C)(C)CN1CC=C ZINC001099363857 814003011 /nfs/dbraw/zinc/00/30/11/814003011.db2.gz CSBKVMULWUYVFM-HNNXBMFYSA-N 0 3 294.439 2.372 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2CCN(CC)C[C@H]2O)CCCCC1 ZINC001100122851 814064063 /nfs/dbraw/zinc/06/40/63/814064063.db2.gz XLORFQRYTVUQSP-LSDHHAIUSA-N 0 3 294.439 2.084 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@H](C(N)=O)c1ccccc1 ZINC001171181032 814068352 /nfs/dbraw/zinc/06/83/52/814068352.db2.gz GQADTNKKARLVEG-GUYCJALGSA-N 0 3 293.370 2.305 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC(F)(F)[C@H](CO)C1 ZINC001171202804 814133739 /nfs/dbraw/zinc/13/37/39/814133739.db2.gz GWMBUEDTGZPHNN-DOMZBBRYSA-N 0 3 294.345 2.439 20 30 CEEDHN C=CC(C)(C)C(=O)NCC1CC(NCc2cncs2)C1 ZINC001100569223 814148216 /nfs/dbraw/zinc/14/82/16/814148216.db2.gz RSGRUIIUTIFTEO-UHFFFAOYSA-N 0 3 293.436 2.340 20 30 CEEDHN C=CCCCC(=O)NCC1CC(NCc2conc2C)C1 ZINC001100623200 814160692 /nfs/dbraw/zinc/16/06/92/814160692.db2.gz CQHQCTMGHXJFQV-UHFFFAOYSA-N 0 3 291.395 2.324 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)C2(CF)CCC2)C1 ZINC001100692055 814173786 /nfs/dbraw/zinc/17/37/86/814173786.db2.gz NVXDGISSAAQZJL-UHFFFAOYSA-N 0 3 288.794 2.363 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)N1CC(C)(N(C)C)C1 ZINC001171225192 814190891 /nfs/dbraw/zinc/19/08/91/814190891.db2.gz YOVYEXMZDCTAFN-CYBMUJFWSA-N 0 3 257.381 2.125 20 30 CEEDHN CCC(=O)N[C@@H]1CCCN([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171231370 814201216 /nfs/dbraw/zinc/20/12/16/814201216.db2.gz IVRQUWOIUGWTQS-RHSMWYFYSA-N 0 3 299.418 2.480 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@](C)(F)CCCC)C2)C1 ZINC001147809081 814496673 /nfs/dbraw/zinc/49/66/73/814496673.db2.gz DQSUQDRSZJWDKC-MRXNPFEDSA-N 0 3 294.414 2.462 20 30 CEEDHN Cc1ccccc1[C@@H](CO)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000782084403 814615378 /nfs/dbraw/zinc/61/53/78/814615378.db2.gz XDFZECPRVRSBGY-QZTJIDSGSA-N 0 3 296.370 2.223 20 30 CEEDHN Cc1ccccc1[C@H](CO)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000782084409 814615592 /nfs/dbraw/zinc/61/55/92/814615592.db2.gz XDFZECPRVRSBGY-ZWKOTPCHSA-N 0 3 296.370 2.223 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3ccccn3)C2)CC1 ZINC001086899007 814646253 /nfs/dbraw/zinc/64/62/53/814646253.db2.gz YGRYYZBFRDTNOJ-HNNXBMFYSA-N 0 3 297.402 2.031 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(CC)CCC ZINC001115020309 814673693 /nfs/dbraw/zinc/67/36/93/814673693.db2.gz HLUNVTXFQZIEMW-NHIYQJMISA-N 0 3 264.413 2.435 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(C)cc3C)C[C@]2(C)C1 ZINC001092245911 814697780 /nfs/dbraw/zinc/69/77/80/814697780.db2.gz IXADARGBGMIHOX-APWZRJJASA-N 0 3 296.414 2.331 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2cccc(C)c2F)[C@H](C)C1 ZINC001092622534 814724512 /nfs/dbraw/zinc/72/45/12/814724512.db2.gz CKYKEXYNLZPIEP-ZIAGYGMSSA-N 0 3 288.366 2.065 20 30 CEEDHN CC/C=C(\C)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001124343932 815611336 /nfs/dbraw/zinc/61/13/36/815611336.db2.gz GGMJUNFCUQSBQC-UUILKARUSA-N 0 3 289.354 2.259 20 30 CEEDHN COc1ccc(CN2CCN(CC3CC3)CC2)c(C#N)c1 ZINC001137703761 815668180 /nfs/dbraw/zinc/66/81/80/815668180.db2.gz VJQLIAOARJOVEW-UHFFFAOYSA-N 0 3 285.391 2.094 20 30 CEEDHN Cc1nn(C)c(Cl)c1CN1CCC2SC(=O)C=C2C1 ZINC001137746809 815675252 /nfs/dbraw/zinc/67/52/52/815675252.db2.gz WMAORJZHGSSXEA-NSHDSACASA-N 0 3 297.811 2.156 20 30 CEEDHN N#CCC1CCC(N2CCN(CC(F)F)CC2)CC1 ZINC001173337849 815682068 /nfs/dbraw/zinc/68/20/68/815682068.db2.gz UHCUUBBHYQJHNJ-UHFFFAOYSA-N 0 3 271.355 2.342 20 30 CEEDHN N#CCC1CCC(n2c(=N)sc3c2CCNC3)CC1 ZINC001173338689 815682496 /nfs/dbraw/zinc/68/24/96/815682496.db2.gz GVMUIMPCXHEPER-UHFFFAOYSA-N 0 3 276.409 2.320 20 30 CEEDHN C=CCc1cccc(C[NH+]2CC3(C2)CCOC3)c1[O-] ZINC001138625015 815845808 /nfs/dbraw/zinc/84/58/08/815845808.db2.gz XQRJKTVUIOTMLL-UHFFFAOYSA-N 0 3 259.349 2.343 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](C(=O)OC)C2)c1[O-] ZINC001138625554 815846262 /nfs/dbraw/zinc/84/62/62/815846262.db2.gz OMQPPHNYWLARAG-CQSZACIVSA-N 0 3 275.348 2.116 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)c1[O-] ZINC001138625554 815846270 /nfs/dbraw/zinc/84/62/70/815846270.db2.gz OMQPPHNYWLARAG-CQSZACIVSA-N 0 3 275.348 2.116 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CCCC[C@@H]2CO)c1[O-] ZINC001138623509 815846441 /nfs/dbraw/zinc/84/64/41/815846441.db2.gz HKXBFKYMWSSVHN-OAHLLOKOSA-N 0 3 261.365 2.468 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CCCC[C@@H]2CO)c1[O-] ZINC001138623509 815846451 /nfs/dbraw/zinc/84/64/51/815846451.db2.gz HKXBFKYMWSSVHN-OAHLLOKOSA-N 0 3 261.365 2.468 20 30 CEEDHN Cc1ccc(CN2CC[C@@](C)(O)[C@H](C)C2)cc1C#N ZINC001139722655 816095191 /nfs/dbraw/zinc/09/51/91/816095191.db2.gz DUHYDAXXORBWNL-CZUORRHYSA-N 0 3 258.365 2.460 20 30 CEEDHN C=CCN(C)Cc1cccc(OCCN2CCOCC2)c1 ZINC001139762983 816108726 /nfs/dbraw/zinc/10/87/26/816108726.db2.gz DPLRUBYJTIVMMJ-UHFFFAOYSA-N 0 3 290.407 2.015 20 30 CEEDHN C=CCn1cc(CN2CC[C@@H](COCC3CC3)C2)cn1 ZINC001139770837 816112058 /nfs/dbraw/zinc/11/20/58/816112058.db2.gz CURWIGKFTBVGOR-OAHLLOKOSA-N 0 3 275.396 2.318 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)C1=CCCCC1 ZINC001139870068 816131075 /nfs/dbraw/zinc/13/10/75/816131075.db2.gz XLQMGUJDYKTMAG-UHFFFAOYSA-N 0 3 250.386 2.453 20 30 CEEDHN COC(=O)[C@@H]1CCN(Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140110338 816191794 /nfs/dbraw/zinc/19/17/94/816191794.db2.gz JMPOPHVWOLOVFI-GFCCVEGCSA-N 0 3 283.331 2.034 20 30 CEEDHN Cc1nc(CCN(C)Cc2c[nH]c3ccc(C#N)cc23)no1 ZINC001140111173 816192288 /nfs/dbraw/zinc/19/22/88/816192288.db2.gz ZPMFYCCBFZPKBC-UHFFFAOYSA-N 0 3 295.346 2.406 20 30 CEEDHN COc1cc([O-])c(C[NH+]2CCC(S)CC2)c(OC)c1 ZINC001141029606 816451020 /nfs/dbraw/zinc/45/10/20/816451020.db2.gz XTQFVTIFFOZUFI-UHFFFAOYSA-N 0 3 283.393 2.304 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)OCCC(C)C ZINC001177277074 816543899 /nfs/dbraw/zinc/54/38/99/816543899.db2.gz LGLLESYGUVDGPH-CYBMUJFWSA-N 0 3 290.835 2.286 20 30 CEEDHN CCC(=O)N1CC[C@H](NCC#Cc2ccc(F)cc2)[C@@H]1C ZINC001177983390 816660251 /nfs/dbraw/zinc/66/02/51/816660251.db2.gz PTLMKAFSIVSXDO-BBRMVZONSA-N 0 3 288.366 2.166 20 30 CEEDHN C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)C1CCC1 ZINC001178026644 816671279 /nfs/dbraw/zinc/67/12/79/816671279.db2.gz WLAQFAARHCOEQR-YJBOKZPZSA-N 0 3 296.414 2.417 20 30 CEEDHN C=CCCC(=O)N1CC[C@H](NCc2ncccc2C)[C@@H]1C ZINC001178320070 816725784 /nfs/dbraw/zinc/72/57/84/816725784.db2.gz DNHOZIPJNVDZED-GJZGRUSLSA-N 0 3 287.407 2.435 20 30 CEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCCF)[C@@H]1C ZINC001179384324 816860387 /nfs/dbraw/zinc/86/03/87/816860387.db2.gz JHWNTOLUAXJETD-XQQFMLRXSA-N 0 3 256.365 2.137 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@@H](CC)N(C)C ZINC000124457748 187138156 /nfs/dbraw/zinc/13/81/56/187138156.db2.gz LBLZNXGTZWZCCV-CQSZACIVSA-N 0 3 276.380 2.208 20 30 CEEDHN C=CCN(C)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000121505612 365576716 /nfs/dbraw/zinc/57/67/16/365576716.db2.gz HBKUHHBLPHBVLS-GFCCVEGCSA-N 0 3 260.337 2.025 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccncc2F)CC1 ZINC000124717546 187149969 /nfs/dbraw/zinc/14/99/69/187149969.db2.gz XLRZEYBRVOWQOV-UHFFFAOYSA-N 0 3 292.358 2.383 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](O)COCc2ccccc2)cc1 ZINC000079720715 343988512 /nfs/dbraw/zinc/98/85/12/343988512.db2.gz XUXXOLZREUXBKG-GOSISDBHSA-N 0 3 296.370 2.226 20 30 CEEDHN C[C@@H]1CCCCN1C[C@H](O)COc1ccccc1C#N ZINC000034673864 361793201 /nfs/dbraw/zinc/79/32/01/361793201.db2.gz MWDRPOGJDCNMSU-HIFRSBDPSA-N 0 3 274.364 2.172 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)C2(C#N)CCCCC2)CCN1C ZINC000124355289 365649502 /nfs/dbraw/zinc/64/95/02/365649502.db2.gz SAHNOGUGYXFICW-KGLIPLIRSA-N 0 3 277.412 2.402 20 30 CEEDHN C#CCN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000125627499 365680102 /nfs/dbraw/zinc/68/01/02/365680102.db2.gz ZLHFMLYVRGBQFQ-UHFFFAOYSA-N 0 3 257.259 2.241 20 30 CEEDHN CN(C(=O)Nc1ccc2c(c1)CNC2)[C@H]1CCC[C@H]1C#N ZINC000601568288 346851768 /nfs/dbraw/zinc/85/17/68/346851768.db2.gz ZAFZCNYRJLTSAO-NHYWBVRUSA-N 0 3 284.363 2.446 20 30 CEEDHN CN(C(=O)Nc1ccc2c(c1)CNCC2)[C@@H]1CCC[C@H]1C#N ZINC000601567680 346851978 /nfs/dbraw/zinc/85/19/78/346851978.db2.gz URXBSMULNSBRAG-XJKSGUPXSA-N 0 3 298.390 2.488 20 30 CEEDHN CN1CCC[C@]2(CCN(C(=O)C3(C#N)CC4(CC4)C3)C2)C1 ZINC000601606778 346859120 /nfs/dbraw/zinc/85/91/20/346859120.db2.gz LFXIQVCFJLIDGT-INIZCTEOSA-N 0 3 287.407 2.015 20 30 CEEDHN Cc1nocc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000601612534 346861617 /nfs/dbraw/zinc/86/16/17/346861617.db2.gz LTRLSYZLLNCFBP-AWEZNQCLSA-N 0 3 283.331 2.372 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000337951503 214328902 /nfs/dbraw/zinc/32/89/02/214328902.db2.gz QMEFDUZNDDJNMD-WBMJQRKESA-N 0 3 285.391 2.279 20 30 CEEDHN CC(C)C[C@H](CO)NCc1ccc(C#N)cc1F ZINC000040778367 361998438 /nfs/dbraw/zinc/99/84/38/361998438.db2.gz KSDBTQZMSSZDMX-CYBMUJFWSA-N 0 3 250.317 2.194 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(C)CC1CCN(C)CC1 ZINC000338118955 214404888 /nfs/dbraw/zinc/40/48/88/214404888.db2.gz OOSXGROUUBKAMA-UHFFFAOYSA-N 0 3 285.391 2.281 20 30 CEEDHN CC(C#N)C(=O)N[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000601702512 346882418 /nfs/dbraw/zinc/88/24/18/346882418.db2.gz OIINFTWXULYSFZ-QPUJVOFHSA-N 0 3 284.718 2.178 20 30 CEEDHN CCOC(=O)[C@@H]1CC[C@H](NCc2cccc(C#N)c2)C1 ZINC000125852968 187202832 /nfs/dbraw/zinc/20/28/32/187202832.db2.gz QHKIEGUQLIRZDL-CABCVRRESA-N 0 3 272.348 2.380 20 30 CEEDHN C[C@H](C(=O)N(C)[C@H]1CCC[C@H]1C#N)N1CCCCCC1 ZINC000601810426 346905171 /nfs/dbraw/zinc/90/51/71/346905171.db2.gz UIUNPTSOPDJAHD-ILXRZTDVSA-N 0 3 277.412 2.402 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Cc1cncnc1 ZINC000329738311 539248262 /nfs/dbraw/zinc/24/82/62/539248262.db2.gz UFICDORQLGISRO-CYBMUJFWSA-N 0 3 276.384 2.096 20 30 CEEDHN COCC#CCN(C)CCc1ccc(Cl)cc1 ZINC000677817038 539269143 /nfs/dbraw/zinc/26/91/43/539269143.db2.gz FXUGGTNXYRKGBX-UHFFFAOYSA-N 0 3 251.757 2.464 20 30 CEEDHN N#Cc1ccc(OC[C@H](O)CNCc2ccccc2)cc1 ZINC000037849922 343432047 /nfs/dbraw/zinc/43/20/47/343432047.db2.gz LULQSIQLMUIOBX-MRXNPFEDSA-N 0 3 282.343 2.088 20 30 CEEDHN C[C@H](NC[C@@H](O)C[C@](C)(O)C1CC1)c1ccc(C#N)cc1 ZINC000601953189 346942065 /nfs/dbraw/zinc/94/20/65/346942065.db2.gz CDHXITZCPNIKMC-ZLIFDBKOSA-N 0 3 288.391 2.121 20 30 CEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CC(CC2CC2)C1 ZINC000601958494 346943073 /nfs/dbraw/zinc/94/30/73/346943073.db2.gz ITJJVZRANALZTH-INIZCTEOSA-N 0 3 286.375 2.030 20 30 CEEDHN C[C@H](NC[C@H](O)C[C@@](C)(O)C1CC1)c1cccc(C#N)c1 ZINC000601963634 346944402 /nfs/dbraw/zinc/94/44/02/346944402.db2.gz FDRPNOPRXJKBKA-JCURWCKSSA-N 0 3 288.391 2.121 20 30 CEEDHN Cc1ncc([C@@H](C)NC[C@H](O)CC(C)(C)C#N)s1 ZINC000601966526 346945396 /nfs/dbraw/zinc/94/53/96/346945396.db2.gz CAZNYHVAKPODEK-MWLCHTKSSA-N 0 3 267.398 2.403 20 30 CEEDHN CCc1nc(CCNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)no1 ZINC000329148830 529733495 /nfs/dbraw/zinc/73/34/95/529733495.db2.gz QABKGKIWKCAQET-TUAOUCFPSA-N 0 3 294.399 2.392 20 30 CEEDHN CCc1ncc(CNCCc2cccc(C#N)c2)cn1 ZINC000414428494 529755649 /nfs/dbraw/zinc/75/56/49/529755649.db2.gz BHWVFAJDXUXTNW-UHFFFAOYSA-N 0 3 266.348 2.243 20 30 CEEDHN C=CCOc1cccc(NC(=O)NC2CCN(C)CC2)c1 ZINC000056551797 343617921 /nfs/dbraw/zinc/61/79/21/343617921.db2.gz HBPATBBFMHVPBY-UHFFFAOYSA-N 0 3 289.379 2.467 20 30 CEEDHN CN(C)C[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1 ZINC000057880507 343640006 /nfs/dbraw/zinc/64/00/06/343640006.db2.gz QVKOSGUORZYKKL-AWEZNQCLSA-N 0 3 272.352 2.116 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccccc2N(C)C)CC1 ZINC000057169511 343625846 /nfs/dbraw/zinc/62/58/46/343625846.db2.gz GRKZBONHSLHJOR-UHFFFAOYSA-N 0 3 285.391 2.036 20 30 CEEDHN C#CCN(C(=S)NC1CCN(C)CC1)C1CCCCC1 ZINC000065705057 343700117 /nfs/dbraw/zinc/70/01/17/343700117.db2.gz RQIMWGPKTAWAPU-UHFFFAOYSA-N 0 3 293.480 2.223 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2ccc3nccnc3c2)C1 ZINC000602020667 346962300 /nfs/dbraw/zinc/96/23/00/346962300.db2.gz QWSZYWODVLNCAB-YPMHNXCESA-N 0 3 252.321 2.412 20 30 CEEDHN C[C@H]1C[C@H](NCc2cccc(F)c2C#N)CN1C1CC1 ZINC000602014235 346959364 /nfs/dbraw/zinc/95/93/64/346959364.db2.gz TWLXLPPMQXBEAK-AAEUAGOBSA-N 0 3 273.355 2.412 20 30 CEEDHN CN(Cc1ccc(C#N)s1)CC1(O)CCCC1 ZINC000128078217 187350473 /nfs/dbraw/zinc/35/04/73/187350473.db2.gz XJXLQJQAFAOGGF-UHFFFAOYSA-N 0 3 250.367 2.357 20 30 CEEDHN C[C@@H](C#N)CN(C(=O)CN(C)CC(C)(C)C)C1CC1 ZINC000602125400 346978650 /nfs/dbraw/zinc/97/86/50/346978650.db2.gz KAOKLRYGEPHBKW-LBPRGKRZSA-N 0 3 265.401 2.115 20 30 CEEDHN CC[C@@](C)(C#N)NC(=O)[C@H](C)N1CCCCCC1 ZINC000073225353 343825200 /nfs/dbraw/zinc/82/52/00/343825200.db2.gz HDSBWQDZHNNDCQ-JSGCOSHPSA-N 0 3 251.374 2.059 20 30 CEEDHN CN(C)C/C=C/C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000075297936 343845553 /nfs/dbraw/zinc/84/55/53/343845553.db2.gz BSRJHCBLITYBDC-QZKWLWDQSA-N 0 3 297.402 2.403 20 30 CEEDHN N#Cc1ccc(CN2CCN(CC3CC3)CC2)cc1 ZINC000048327200 362256194 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N#CCCCC[C@@H](N)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000594429059 345628104 /nfs/dbraw/zinc/62/81/04/345628104.db2.gz QGVBMJTZAJUKSB-CYBMUJFWSA-N 0 3 293.317 2.265 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCC1CCCC1 ZINC000594429086 345628108 /nfs/dbraw/zinc/62/81/08/345628108.db2.gz QJQBIEJTEWJXAC-ZDUSSCGKSA-N 0 3 251.374 2.094 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000594430223 345628582 /nfs/dbraw/zinc/62/85/82/345628582.db2.gz XFDINYKERGHOGL-AWEZNQCLSA-N 0 3 297.362 2.426 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000594431281 345628771 /nfs/dbraw/zinc/62/87/71/345628771.db2.gz KXIUUIYHPHLMMN-HUUCEWRRSA-N 0 3 289.354 2.340 20 30 CEEDHN C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1 ZINC000594431217 345628803 /nfs/dbraw/zinc/62/88/03/345628803.db2.gz JSHUOPOSGHICDX-WFASDCNBSA-N 0 3 291.370 2.457 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594435483 345630179 /nfs/dbraw/zinc/63/01/79/345630179.db2.gz FUAMYHRKPBJURV-RDBSUJKOSA-N 0 3 265.401 2.435 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1c1cccnc1 ZINC000594438122 345630881 /nfs/dbraw/zinc/63/08/81/345630881.db2.gz GWNJWELBHONIJR-CABCVRRESA-N 0 3 286.379 2.156 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCC1(C2CC2)CCC1 ZINC000594442719 345632120 /nfs/dbraw/zinc/63/21/20/345632120.db2.gz IFBOOJYSRLYORT-ZDUSSCGKSA-N 0 3 263.385 2.094 20 30 CEEDHN N#CCCCCC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000594450218 345633744 /nfs/dbraw/zinc/63/37/44/345633744.db2.gz UWJNWZVHIVRNGY-HNNXBMFYSA-N 0 3 271.364 2.155 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCc3ccccc3NC2=O)C1 ZINC000594507464 345639967 /nfs/dbraw/zinc/63/99/67/345639967.db2.gz CVEOZTWCWVACOX-ZLDLUXBVSA-N 0 3 269.348 2.222 20 30 CEEDHN CC(C)(C#N)c1ccc(CNC[C@H]2CC[C@@H](CO)O2)cc1 ZINC000594521824 345644021 /nfs/dbraw/zinc/64/40/21/345644021.db2.gz VPFIYUZDPLWSOA-CVEARBPZSA-N 0 3 288.391 2.117 20 30 CEEDHN N#CC1(Cn2cc(CCN3CCCCC3)nn2)CCCC1 ZINC000594658289 345668601 /nfs/dbraw/zinc/66/86/01/345668601.db2.gz OJYIFNRPISJTRC-UHFFFAOYSA-N 0 3 287.411 2.390 20 30 CEEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000594712914 345677215 /nfs/dbraw/zinc/67/72/15/345677215.db2.gz WUZWAERUKQQOPD-APHBMKBZSA-N 0 3 274.364 2.260 20 30 CEEDHN CS(=O)(=O)C1(CN[C@@H]2CCC[C@@H](C#N)C2)CCCCC1 ZINC000595077044 345740276 /nfs/dbraw/zinc/74/02/76/345740276.db2.gz KZCHZFRXOUCUJH-ZIAGYGMSSA-N 0 3 298.452 2.406 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H]1CCC(=O)N1 ZINC000595088402 345740972 /nfs/dbraw/zinc/74/09/72/345740972.db2.gz BRKZPNPJVTZZNL-GOEBONIOSA-N 0 3 283.375 2.194 20 30 CEEDHN CC[C@@H](Cn1cncn1)NCC1(C#N)CCCCC1 ZINC000595092065 345741559 /nfs/dbraw/zinc/74/15/59/345741559.db2.gz VWQWCRBIIKVYFU-ZDUSSCGKSA-N 0 3 261.373 2.120 20 30 CEEDHN C[C@@H](CNC(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000595258852 345750280 /nfs/dbraw/zinc/75/02/80/345750280.db2.gz FALMJNABSLVFPL-JSGCOSHPSA-N 0 3 265.401 2.340 20 30 CEEDHN CCCNC(=O)CN(CCC)CCc1ccc(C#N)cc1 ZINC000595293655 345756091 /nfs/dbraw/zinc/75/60/91/345756091.db2.gz ROGGPXNGMGALNY-UHFFFAOYSA-N 0 3 287.407 2.339 20 30 CEEDHN N#CC1(c2ccc(CNCCNc3cnccn3)cc2)CC1 ZINC000594930854 345707003 /nfs/dbraw/zinc/70/70/03/345707003.db2.gz AXWKYYKKDUBQER-UHFFFAOYSA-N 0 3 293.374 2.233 20 30 CEEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)[C@H]1CN(C)CCO1 ZINC000594932212 345707557 /nfs/dbraw/zinc/70/75/57/345707557.db2.gz WHLJMMIBGGJSJJ-RHSMWYFYSA-N 0 3 299.418 2.050 20 30 CEEDHN N#CC1(c2ccc(CN[C@@H](CO)CC(F)F)cc2)CC1 ZINC000594936598 345708529 /nfs/dbraw/zinc/70/85/29/345708529.db2.gz FQVAXRODMCSPLB-CYBMUJFWSA-N 0 3 280.318 2.347 20 30 CEEDHN CC[C@H]1C[C@H](NCc2ccc(C#N)c(OC)c2)CO1 ZINC000594940421 345710941 /nfs/dbraw/zinc/71/09/41/345710941.db2.gz CCEMLHQMTSNOFQ-KBPBESRZSA-N 0 3 260.337 2.224 20 30 CEEDHN Cc1ccc([O-])c(C[NH2+]CCc2ccc(C#N)cc2)n1 ZINC000594954995 345715269 /nfs/dbraw/zinc/71/52/69/345715269.db2.gz JTRBBSKNUQIODL-UHFFFAOYSA-N 0 3 267.332 2.300 20 30 CEEDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2ccc(C#N)s2)C1 ZINC000594962040 345717796 /nfs/dbraw/zinc/71/77/96/345717796.db2.gz DASFPJOPXLWJTF-JMSVASOKSA-N 0 3 294.420 2.275 20 30 CEEDHN C[S@](=O)[C@H]1CCC[C@H](NCc2ccc(C#N)cc2)C1 ZINC000594966480 345719194 /nfs/dbraw/zinc/71/91/94/345719194.db2.gz SIACCPCEMQTWHY-DOXZYTNZSA-N 0 3 276.405 2.338 20 30 CEEDHN C=CCCSCCNCc1cnn2c1CCC2 ZINC000594968126 345719239 /nfs/dbraw/zinc/71/92/39/345719239.db2.gz ONRTUSWNWJUWIC-UHFFFAOYSA-N 0 3 251.399 2.228 20 30 CEEDHN CC(=O)N1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000594994289 345723419 /nfs/dbraw/zinc/72/34/19/345723419.db2.gz JPPQLAOHFADRMD-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)[C@@H]1CCOC1 ZINC000595059637 345736822 /nfs/dbraw/zinc/73/68/22/345736822.db2.gz HCRAANXMKRFPPY-SGIREYDYSA-N 0 3 292.354 2.399 20 30 CEEDHN CC(=O)NCc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000595059995 345736839 /nfs/dbraw/zinc/73/68/39/345736839.db2.gz JXSBXBWFUCETFF-CVEARBPZSA-N 0 3 271.364 2.105 20 30 CEEDHN C=CCCSCCNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000595583178 345818725 /nfs/dbraw/zinc/81/87/25/345818725.db2.gz XXCHLDGULDMOHK-ZDUSSCGKSA-N 0 3 297.468 2.245 20 30 CEEDHN N#Cc1ccc(CCN2CCN(C3CCC3)CC2)cc1 ZINC000595320310 345761453 /nfs/dbraw/zinc/76/14/53/345761453.db2.gz SXIYZGKJBVDEMX-UHFFFAOYSA-N 0 3 269.392 2.271 20 30 CEEDHN CC(C)[C@@H](O)C(C)(C)CNCc1cccc(C#N)n1 ZINC000602580371 347087396 /nfs/dbraw/zinc/08/73/96/347087396.db2.gz NANWTCDQCDVREO-CQSZACIVSA-N 0 3 261.369 2.086 20 30 CEEDHN COCCO[C@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595391748 345772858 /nfs/dbraw/zinc/77/28/58/345772858.db2.gz PMWALQKPIAMHIA-KRWDZBQOSA-N 0 3 288.391 2.228 20 30 CEEDHN C[C@H]1CN(CCc2ccc(C#N)cc2)[C@@H](C)CN1C ZINC000595407545 345775222 /nfs/dbraw/zinc/77/52/22/345775222.db2.gz IXLJMPDVAURHCV-KBPBESRZSA-N 0 3 257.381 2.125 20 30 CEEDHN CN(C)C(=O)CC1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595430472 345780563 /nfs/dbraw/zinc/78/05/63/345780563.db2.gz NGSXKWGIIJKYSN-UHFFFAOYSA-N 0 3 299.418 2.291 20 30 CEEDHN CC(C)[C@H](N[C@H]1CC[C@@H](C#N)C1)[C@H](O)C(F)(F)F ZINC000595482520 345793113 /nfs/dbraw/zinc/79/31/13/345793113.db2.gz PGORNXMNALFIBY-RCWTZXSCSA-N 0 3 264.291 2.216 20 30 CEEDHN N#Cc1cccc(CN(C2CC2)C2(CO)CCC2)c1 ZINC000595533770 345805113 /nfs/dbraw/zinc/80/51/13/345805113.db2.gz NVIVEHILQDIYRC-UHFFFAOYSA-N 0 3 256.349 2.438 20 30 CEEDHN C=CCN(CCOc1ccc(C#N)cc1)[C@@H](C)COC ZINC000595645062 345836532 /nfs/dbraw/zinc/83/65/32/345836532.db2.gz DVPBSHPKCFMQNK-AWEZNQCLSA-N 0 3 274.364 2.460 20 30 CEEDHN C=CC[C@@H]1CCCN(CC(=O)N(CC)CCC#N)C1 ZINC000595659953 345840168 /nfs/dbraw/zinc/84/01/68/345840168.db2.gz ONHWLSXJCAFVCE-CQSZACIVSA-N 0 3 263.385 2.037 20 30 CEEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000595660498 345840856 /nfs/dbraw/zinc/84/08/56/345840856.db2.gz SPZWUPUTKJQSCD-CHWSQXEVSA-N 0 3 295.427 2.287 20 30 CEEDHN N#CCc1ccc(CN2CC[C@@H](CN3CCCC3=O)C2)cc1 ZINC000595830022 345888396 /nfs/dbraw/zinc/88/83/96/345888396.db2.gz SPNPWBUWAZOIJP-QGZVFWFLSA-N 0 3 297.402 2.197 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN1CCC[C@@H](C2CCC2)C1)C1CC1 ZINC000595832051 345889039 /nfs/dbraw/zinc/88/90/39/345889039.db2.gz HEAITOFZIBYQHL-PBHICJAKSA-N 0 3 289.423 2.307 20 30 CEEDHN C[C@]1(C#N)CCN(CCCCN2CC[C@](C)(C#N)C2)C1 ZINC000595839699 345894932 /nfs/dbraw/zinc/89/49/32/345894932.db2.gz IGSWASVALQXPFM-HZPDHXFCSA-N 0 3 274.412 2.238 20 30 CEEDHN C[C@]12COC[C@H]1CN(Cc1ccc(F)c(C#N)c1)C2 ZINC000595757234 345868652 /nfs/dbraw/zinc/86/86/52/345868652.db2.gz IHUVHVSARRTSRL-HIFRSBDPSA-N 0 3 260.312 2.166 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@]2(O)C[C@H]2C1 ZINC000595759488 345869512 /nfs/dbraw/zinc/86/95/12/345869512.db2.gz VEJCQURLKZYLLY-WMLDXEAASA-N 0 3 270.376 2.444 20 30 CEEDHN Cn1cc(C[C@H]2CCC[C@H]2NCc2ccncc2C#N)cn1 ZINC000595772679 345872795 /nfs/dbraw/zinc/87/27/95/345872795.db2.gz UJOZTVRENJMPRM-RHSMWYFYSA-N 0 3 295.390 2.188 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595785973 345876028 /nfs/dbraw/zinc/87/60/28/345876028.db2.gz ONHIEXWVDXGGMM-ZBFHGGJFSA-N 0 3 292.427 2.052 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595785972 345876222 /nfs/dbraw/zinc/87/62/22/345876222.db2.gz ONHIEXWVDXGGMM-HOCLYGCPSA-N 0 3 292.427 2.052 20 30 CEEDHN N#Cc1ccc(CCN2CCNC[C@H]2c2cccnc2)cc1 ZINC000595895570 345909478 /nfs/dbraw/zinc/90/94/78/345909478.db2.gz PMHWRHIWIJZYCQ-SFHVURJKSA-N 0 3 292.386 2.142 20 30 CEEDHN CC1(C)CN(C(=O)CC2(C#N)CCCCC2)CCN1 ZINC000595935257 345915055 /nfs/dbraw/zinc/91/50/55/345915055.db2.gz HRSAPIPLFZFQLG-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN CC1(C)CN(C(=O)[C@@H](N)CCCC#N)[C@H]1c1cccnc1 ZINC000595946797 345917374 /nfs/dbraw/zinc/91/73/74/345917374.db2.gz HKDFBBUUMMOJQS-KBPBESRZSA-N 0 3 286.379 2.012 20 30 CEEDHN CC(C)(C(=O)N1CC[C@](C)(C#N)C1)[C@H](N)c1ccccc1 ZINC000595979495 345920476 /nfs/dbraw/zinc/92/04/76/345920476.db2.gz ANJWRABCLPQHMU-RHSMWYFYSA-N 0 3 285.391 2.475 20 30 CEEDHN CC(C)(C)C(F)(F)CNC(=O)[C@@H](N)CCCCC#N ZINC000595994619 345921850 /nfs/dbraw/zinc/92/18/50/345921850.db2.gz UGRQVABAQVGQKW-JTQLQIEISA-N 0 3 275.343 2.195 20 30 CEEDHN CCc1nc(C#N)cc(N2CCN(C3CCCCC3)CC2)n1 ZINC000596167636 345957905 /nfs/dbraw/zinc/95/79/05/345957905.db2.gz FQIKEKZLXRCHAM-UHFFFAOYSA-N 0 3 299.422 2.365 20 30 CEEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2cc(C#N)cnn2)C1 ZINC000596088279 345937310 /nfs/dbraw/zinc/93/73/10/345937310.db2.gz JTHAPXHAKWSISZ-CJNGLKHVSA-N 0 3 293.374 2.018 20 30 CEEDHN Cc1c(C#N)c(N[C@@H]2CCN(C3CC3)C2)nc2ccccc12 ZINC000596091917 345937595 /nfs/dbraw/zinc/93/75/95/345937595.db2.gz PPMUCRJEDTWPHC-CYBMUJFWSA-N 0 3 292.386 2.485 20 30 CEEDHN N#Cc1nc(N2CC[C@H](N3CCCC3)C2)sc1Cl ZINC000596104620 345941001 /nfs/dbraw/zinc/94/10/01/345941001.db2.gz JAYUIPQOVIJBCJ-VIFPVBQESA-N 0 3 282.800 2.343 20 30 CEEDHN C[C@H]1C[C@H](Nc2nc3ncccc3cc2C#N)CCN1C ZINC000596145211 345951032 /nfs/dbraw/zinc/95/10/32/345951032.db2.gz ISSABTCITNGTEM-SMDDNHRTSA-N 0 3 281.363 2.396 20 30 CEEDHN CC(C)N1CCCC[C@@H]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000596274836 345989130 /nfs/dbraw/zinc/98/91/30/345989130.db2.gz JTURCNMRMPNKDQ-OAHLLOKOSA-N 0 3 299.418 2.472 20 30 CEEDHN CCOC[C@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000127517706 187313011 /nfs/dbraw/zinc/31/30/11/187313011.db2.gz QXTTZWNUAQVPOA-RDJZCZTQSA-N 0 3 288.391 2.340 20 30 CEEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCOC1 ZINC000596995603 346113590 /nfs/dbraw/zinc/11/35/90/346113590.db2.gz KXHZTMCYLXBVQZ-OAHLLOKOSA-N 0 3 256.349 2.462 20 30 CEEDHN N#Cc1cnn2cc(CNCCCC3CCC3)cnc12 ZINC000597207729 346148637 /nfs/dbraw/zinc/14/86/37/346148637.db2.gz HLAMZJJLEKDSMA-UHFFFAOYSA-N 0 3 269.352 2.271 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000597823485 346236168 /nfs/dbraw/zinc/23/61/68/346236168.db2.gz REHSRMOKXLAZKK-PBHICJAKSA-N 0 3 285.391 2.317 20 30 CEEDHN CCN(C(=O)CC1(C#N)CCCCC1)[C@@H]1CCN(C)C1 ZINC000597946562 346256039 /nfs/dbraw/zinc/25/60/39/346256039.db2.gz SCGNXMSBBSBXRE-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN CCCN1CC[C@H](NC(=O)CCc2ccc(C#N)cc2)C1 ZINC000598342297 346332057 /nfs/dbraw/zinc/33/20/57/346332057.db2.gz FVJGILMULGPBBW-INIZCTEOSA-N 0 3 285.391 2.091 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000598296263 346321497 /nfs/dbraw/zinc/32/14/97/346321497.db2.gz LJJXYHUMCFMHFW-UTUOFQBUSA-N 0 3 264.369 2.389 20 30 CEEDHN CC(C#N)C(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000598397797 346345463 /nfs/dbraw/zinc/34/54/63/346345463.db2.gz JMCUJQCFYITBQX-OIBJUYFYSA-N 0 3 287.146 2.303 20 30 CEEDHN C[C@@]1(C#N)CCN(C(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000598413252 346350260 /nfs/dbraw/zinc/35/02/60/346350260.db2.gz ZEPGORPROAVPSP-ZBFHGGJFSA-N 0 3 275.396 2.156 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCc2ccccc2C1 ZINC000598584700 346377556 /nfs/dbraw/zinc/37/75/56/346377556.db2.gz SGGFZFSLMVWNGF-OAHLLOKOSA-N 0 3 258.365 2.345 20 30 CEEDHN CC(C)CO[C@H]1CCN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598591763 346379590 /nfs/dbraw/zinc/37/95/90/346379590.db2.gz BIFAEMCXRODLQX-KGLIPLIRSA-N 0 3 268.401 2.034 20 30 CEEDHN CN(CCOCc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598593846 346380126 /nfs/dbraw/zinc/38/01/26/346380126.db2.gz XFAFFTCNJAYEJN-INIZCTEOSA-N 0 3 290.407 2.436 20 30 CEEDHN C[C@@H]1[C@H](C)SCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598594017 346380588 /nfs/dbraw/zinc/38/05/88/346380588.db2.gz XQYOVIAVHICEHD-WOPDTQHZSA-N 0 3 256.415 2.113 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN[C@H](CCO)c1ccccc1 ZINC000598603715 346382552 /nfs/dbraw/zinc/38/25/52/346382552.db2.gz ZDHWRWRLXXELGT-HUUCEWRRSA-N 0 3 276.380 2.000 20 30 CEEDHN Cc1noc(C)c1[C@@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC000598603524 346382898 /nfs/dbraw/zinc/38/28/98/346382898.db2.gz VDMGGVKZOBVYHE-SKDRFNHKSA-N 0 3 265.357 2.243 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCc2c1cccc2O ZINC000598617521 346384451 /nfs/dbraw/zinc/38/44/51/346384451.db2.gz JUMUSMSKWLQDFD-BXUZGUMPSA-N 0 3 274.364 2.270 20 30 CEEDHN Cc1ccnc(N[C@@H]2CN(C3CC3)C[C@H]2C)c1C#N ZINC000273292749 192101334 /nfs/dbraw/zinc/10/13/34/192101334.db2.gz FWGBVQYCZLATTJ-BXUZGUMPSA-N 0 3 256.353 2.156 20 30 CEEDHN CCc1cnccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598723773 346408689 /nfs/dbraw/zinc/40/86/89/346408689.db2.gz KGSYJIROROICMO-AWEZNQCLSA-N 0 3 261.369 2.034 20 30 CEEDHN C[C@H](NCCN(C)CC(F)F)c1cccc(C#N)c1 ZINC000599094030 346459062 /nfs/dbraw/zinc/45/90/62/346459062.db2.gz CSQQYXSOEAAZHH-NSHDSACASA-N 0 3 267.323 2.406 20 30 CEEDHN CN(Cc1cccs1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599258304 346485568 /nfs/dbraw/zinc/48/55/68/346485568.db2.gz XBQLTEYBUCPQGW-CYBMUJFWSA-N 0 3 294.420 2.251 20 30 CEEDHN N#Cc1cc(C(F)(F)F)ccc1NCCN1CC[C@H](O)C1 ZINC000599200170 346478619 /nfs/dbraw/zinc/47/86/19/346478619.db2.gz ZBVRJJIJVOOVSE-LBPRGKRZSA-N 0 3 299.296 2.056 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@H](c2cccnc2)C2CC2)CC1 ZINC000599361810 346507114 /nfs/dbraw/zinc/50/71/14/346507114.db2.gz LBAVBSZKYFHZGD-GJZGRUSLSA-N 0 3 271.364 2.177 20 30 CEEDHN CC1=C(C)CN(C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599393554 346513212 /nfs/dbraw/zinc/51/32/12/346513212.db2.gz IURHAJIXRBHOCB-OAHLLOKOSA-N 0 3 278.396 2.100 20 30 CEEDHN N#CCc1cccc2c1CCN([C@@H]1CCCC[C@H]1O)C2 ZINC000599686324 346565073 /nfs/dbraw/zinc/56/50/73/346565073.db2.gz QAUAQASQKKTEED-IAGOWNOFSA-N 0 3 270.376 2.414 20 30 CEEDHN C/C=C/C[C@@H]1CCCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000599688570 346566231 /nfs/dbraw/zinc/56/62/31/346566231.db2.gz FERZFHKQKBXXAB-SSBHQGKESA-N 0 3 277.412 2.425 20 30 CEEDHN C/C=C/C[C@@H]1CCCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000599688569 346566342 /nfs/dbraw/zinc/56/63/42/346566342.db2.gz FERZFHKQKBXXAB-DPOFCPOHSA-N 0 3 277.412 2.425 20 30 CEEDHN CC(C)(C#N)CC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600229485 346627605 /nfs/dbraw/zinc/62/76/05/346627605.db2.gz KTTOMJMQAUNPIY-CQSZACIVSA-N 0 3 277.412 2.449 20 30 CEEDHN CCN1CCC(N(C)c2ccc(C#N)c(C)n2)CC1 ZINC000336808387 365845419 /nfs/dbraw/zinc/84/54/19/365845419.db2.gz BUPSSVUYZPIUEH-UHFFFAOYSA-N 0 3 258.369 2.182 20 30 CEEDHN CN(CC(=O)N1CCCC(C)(C)[C@@H]1C#N)C1CCC1 ZINC000600824602 346697618 /nfs/dbraw/zinc/69/76/18/346697618.db2.gz DIEUSKFAIQTWPE-ZDUSSCGKSA-N 0 3 263.385 2.011 20 30 CEEDHN CCN1C[C@@H](C)N(c2cc(C#N)nc(C3CC3)n2)C[C@H]1C ZINC000601135466 346764641 /nfs/dbraw/zinc/76/46/41/346764641.db2.gz FKZFKJABWKRNAH-VXGBXAGGSA-N 0 3 285.395 2.145 20 30 CEEDHN C=CCCN1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000129364380 365851279 /nfs/dbraw/zinc/85/12/79/365851279.db2.gz UQGGLLAVCCVWGY-DLBZAZTESA-N 0 3 272.392 2.148 20 30 CEEDHN CC(C)(C)OC(=O)COCCNCc1cccc(C#N)c1 ZINC000601145437 346769037 /nfs/dbraw/zinc/76/90/37/346769037.db2.gz LTXQUXVHOKDMOR-UHFFFAOYSA-N 0 3 290.363 2.006 20 30 CEEDHN CN1CCC(Nc2ncc(C#N)c3ccsc32)CC1 ZINC000601099855 346752778 /nfs/dbraw/zinc/75/27/78/346752778.db2.gz BCCVYCVFEXAFFN-UHFFFAOYSA-N 0 3 272.377 2.096 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1cscc1Cl ZINC000602625541 347109445 /nfs/dbraw/zinc/10/94/45/347109445.db2.gz RTXAVXUGRKBRAX-QMMMGPOBSA-N 0 3 257.746 2.361 20 30 CEEDHN CS(=O)(=O)c1ccc(CNC2CCC(C#N)CC2)s1 ZINC000602630934 347112169 /nfs/dbraw/zinc/11/21/69/347112169.db2.gz PSPMVWRBCIFKKN-UHFFFAOYSA-N 0 3 298.433 2.324 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCN(c3ccccc3F)C2)n1 ZINC000602673225 347135478 /nfs/dbraw/zinc/13/54/78/347135478.db2.gz PYGPHHQIZRQUJV-HNNXBMFYSA-N 0 3 296.349 2.461 20 30 CEEDHN N#Cc1cccc(CN2CC[C@H](c3cccnc3)C2)n1 ZINC000602700985 347156382 /nfs/dbraw/zinc/15/63/82/347156382.db2.gz PLWNICUDKKXKNY-AWEZNQCLSA-N 0 3 264.332 2.338 20 30 CEEDHN N#Cc1cccc(CN2CC[C@@H](c3cccnc3)C2)n1 ZINC000602700987 347156815 /nfs/dbraw/zinc/15/68/15/347156815.db2.gz PLWNICUDKKXKNY-CQSZACIVSA-N 0 3 264.332 2.338 20 30 CEEDHN N#Cc1cccc(CN2C[C@]34COC[C@@]3(C2)CCCC4)n1 ZINC000602714937 347166272 /nfs/dbraw/zinc/16/62/72/347166272.db2.gz KNKIMXFOIFAOFP-CALCHBBNSA-N 0 3 283.375 2.346 20 30 CEEDHN Cn1cc(C[C@@H]2CCC[C@@H]2NCc2cccc(C#N)n2)cn1 ZINC000602715383 347166813 /nfs/dbraw/zinc/16/68/13/347166813.db2.gz GRUZNFLHBSAFSH-YOEHRIQHSA-N 0 3 295.390 2.188 20 30 CEEDHN CCn1nccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602716399 347167725 /nfs/dbraw/zinc/16/77/25/347167725.db2.gz UTKYFBLAPNNUSI-ZDUSSCGKSA-N 0 3 276.384 2.092 20 30 CEEDHN N#CCC1(CN(CCC(N)=O)Cc2ccccc2)CC1 ZINC000602784982 347197303 /nfs/dbraw/zinc/19/73/03/347197303.db2.gz QMNSZNOFEDBAFD-UHFFFAOYSA-N 0 3 271.364 2.058 20 30 CEEDHN COC(=O)CCC1CCN(CC2(CC#N)CC2)CC1 ZINC000602787017 347198283 /nfs/dbraw/zinc/19/82/83/347198283.db2.gz FXTJBBYIPPKHIE-UHFFFAOYSA-N 0 3 264.369 2.345 20 30 CEEDHN C[C@H](CCC#N)CN[C@@H]1Cc2ccccc2NC1=O ZINC000602726967 347173391 /nfs/dbraw/zinc/17/33/91/347173391.db2.gz UGZCFJFLODZWHW-BXUZGUMPSA-N 0 3 257.337 2.079 20 30 CEEDHN Cc1ccc(CN2CC[C@@H](C)C[C@H]2CO)cc1C#N ZINC000602930440 347250748 /nfs/dbraw/zinc/25/07/48/347250748.db2.gz KXZYXBJUTIHQGD-WBMJQRKESA-N 0 3 258.365 2.460 20 30 CEEDHN CNC(=O)C[C@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000602823944 347214313 /nfs/dbraw/zinc/21/43/13/347214313.db2.gz FUIGHNUESGUFEL-AWEZNQCLSA-N 0 3 271.364 2.147 20 30 CEEDHN Cc1n[nH]cc1CN(C)CCCC1(C#N)CCOCC1 ZINC000602940311 347252409 /nfs/dbraw/zinc/25/24/09/347252409.db2.gz FHAIQZPJRDNKBY-UHFFFAOYSA-N 0 3 276.384 2.251 20 30 CEEDHN N#CCC1(CN2CCC[C@@H](N3CCCC3=O)CC2)CC1 ZINC000602844478 347221289 /nfs/dbraw/zinc/22/12/89/347221289.db2.gz TUTFESVFYKCNJZ-CQSZACIVSA-N 0 3 275.396 2.157 20 30 CEEDHN COc1ccc(CCN2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602857756 347227530 /nfs/dbraw/zinc/22/75/30/347227530.db2.gz USZQLOHPGXHTPB-GJZGRUSLSA-N 0 3 287.407 2.156 20 30 CEEDHN CCOC(=O)CCN(CC1(CC#N)CC1)C(C)C ZINC000602874343 347233650 /nfs/dbraw/zinc/23/36/50/347233650.db2.gz ZIJDUELFLSWKLV-UHFFFAOYSA-N 0 3 252.358 2.344 20 30 CEEDHN CN1CCN(Cc2ccc(C#N)cn2)C[C@H]1C(C)(C)C ZINC000602875271 347234978 /nfs/dbraw/zinc/23/49/78/347234978.db2.gz YURMAUJCKIOXAK-HNNXBMFYSA-N 0 3 272.396 2.115 20 30 CEEDHN N#CC1(C[C@H](O)CN2CCC(CCF)CC2)CCOCC1 ZINC000602946492 347253997 /nfs/dbraw/zinc/25/39/97/347253997.db2.gz AKDHKXQFOKSDOI-HNNXBMFYSA-N 0 3 298.402 2.129 20 30 CEEDHN COC[C@]1(C(=O)OC(C)(C)C)CCN([C@@H](C)CCC#N)C1 ZINC000602962963 347258642 /nfs/dbraw/zinc/25/86/42/347258642.db2.gz YDNFDVVBGXJVMU-BBRMVZONSA-N 0 3 296.411 2.359 20 30 CEEDHN CC[C@]1(O)CCCN(CCOc2ccccc2C#N)C1 ZINC000602982877 347265673 /nfs/dbraw/zinc/26/56/73/347265673.db2.gz ZLCZAADIXPVFGQ-INIZCTEOSA-N 0 3 274.364 2.174 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603071002 347280924 /nfs/dbraw/zinc/28/09/24/347280924.db2.gz KTDVPMBHBWMTIO-AWEZNQCLSA-N 0 3 290.342 2.255 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000609620217 347647203 /nfs/dbraw/zinc/64/72/03/347647203.db2.gz HXLQGDSJHIINAK-YPMHNXCESA-N 0 3 286.331 2.281 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000609843410 347652527 /nfs/dbraw/zinc/65/25/27/347652527.db2.gz COHXJTNDZZOCQT-YPMHNXCESA-N 0 3 286.331 2.281 20 30 CEEDHN CC(C#N)C(=O)NCc1cccc(OCc2ccccn2)c1 ZINC000609920124 347655663 /nfs/dbraw/zinc/65/56/63/347655663.db2.gz LDVIIDQEUJAQMP-CYBMUJFWSA-N 0 3 295.342 2.436 20 30 CEEDHN CCCN(C)CC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610362318 347676240 /nfs/dbraw/zinc/67/62/40/347676240.db2.gz PVOXYHCIGMUSPZ-GFCCVEGCSA-N 0 3 259.353 2.077 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1COc2c1cccc2Cl ZINC000610714586 347706009 /nfs/dbraw/zinc/70/60/09/347706009.db2.gz QWXLDZOFKDUQTR-GMSGAONNSA-N 0 3 250.685 2.049 20 30 CEEDHN C[C@@H](NCc1ccn(C)c(=O)c1)c1cccc(C#N)c1 ZINC000611388506 347772747 /nfs/dbraw/zinc/77/27/47/347772747.db2.gz PKQLYDYMJRXJMO-GFCCVEGCSA-N 0 3 267.332 2.108 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@@H]3CCC(F)(F)C3)n2c1 ZINC000611464455 347781955 /nfs/dbraw/zinc/78/19/55/347781955.db2.gz ZXLLTVWGGZOSNX-LLVKDONJSA-N 0 3 276.290 2.483 20 30 CEEDHN C[C@H](Cc1cnccn1)NCc1ccc(C#N)cc1F ZINC000610946780 347723678 /nfs/dbraw/zinc/72/36/78/347723678.db2.gz YZBSXEJWPVOTOH-LLVKDONJSA-N 0 3 270.311 2.208 20 30 CEEDHN N#Cc1cc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)ccn1 ZINC000610995108 347729870 /nfs/dbraw/zinc/72/98/70/347729870.db2.gz HQYXALGZFMKMAU-QAPCUYQASA-N 0 3 296.418 2.402 20 30 CEEDHN N#Cc1cc(CN2CCC[C@@H]([C@H]3CCOC3)C2)ccn1 ZINC000610998296 347731197 /nfs/dbraw/zinc/73/11/97/347731197.db2.gz JZFFUKPHRGFZNQ-CABCVRRESA-N 0 3 271.364 2.202 20 30 CEEDHN N#CCN1CCC(NCc2nc3c(s2)CCCC3)CC1 ZINC000611447591 347780682 /nfs/dbraw/zinc/78/06/82/347780682.db2.gz LTUXNNYPSSACSL-UHFFFAOYSA-N 0 3 290.436 2.099 20 30 CEEDHN CCO[C@@H]1COCC[C@H]1N[C@H]1CCc2ccc(C#N)cc21 ZINC000568569663 299145705 /nfs/dbraw/zinc/14/57/05/299145705.db2.gz YPDQIQXXBLPOSH-GVDBMIGSSA-N 0 3 286.375 2.329 20 30 CEEDHN C=C(C)CN(C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611501119 347786561 /nfs/dbraw/zinc/78/65/61/347786561.db2.gz OTYYASLBGIJDGS-OAHLLOKOSA-N 0 3 274.364 2.000 20 30 CEEDHN C[C@H](C(=O)N1CCC[C@](C)(C#N)C1)N1CCCCCC1 ZINC000612364114 347874457 /nfs/dbraw/zinc/87/44/57/347874457.db2.gz CUJHCCJCUSAILY-GDBMZVCRSA-N 0 3 277.412 2.403 20 30 CEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1Cc1nc(C#N)cs1 ZINC000356322095 370658947 /nfs/dbraw/zinc/65/89/47/370658947.db2.gz QPVLWMKKLSIKSR-YPMHNXCESA-N 0 3 276.409 2.073 20 30 CEEDHN Cc1cc(C#N)ccc1CN1C[C@@H](C)N(C)C[C@H]1C ZINC000614403107 348194750 /nfs/dbraw/zinc/19/47/50/348194750.db2.gz DHPXECUWAIOIHC-ZIAGYGMSSA-N 0 3 257.381 2.391 20 30 CEEDHN CCO[C@H]1COCC[C@H]1NCc1ccc(C#N)cc1C ZINC000614406786 348195714 /nfs/dbraw/zinc/19/57/14/348195714.db2.gz UHAZLIRHAABJFM-CVEARBPZSA-N 0 3 274.364 2.150 20 30 CEEDHN CN(C)CCOc1ccc(CN2CC[C@@](F)(C#N)C2)cc1 ZINC000615651254 348367380 /nfs/dbraw/zinc/36/73/80/348367380.db2.gz RFUKHSZSOIXRRH-MRXNPFEDSA-N 0 3 291.370 2.065 20 30 CEEDHN CCN(C)C(=O)[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000616094734 348439886 /nfs/dbraw/zinc/43/98/86/348439886.db2.gz WFUSCFGUEXZSAO-MLGOLLRUSA-N 0 3 285.391 2.392 20 30 CEEDHN C=C(C)[C@@H](CC(=O)NC[C@@H]1CCN1C(C)(C)C)OCC ZINC000617011787 348611348 /nfs/dbraw/zinc/61/13/48/348611348.db2.gz MHBBMNVMGYCQLL-UONOGXRCSA-N 0 3 282.428 2.347 20 30 CEEDHN CC1(C)[C@H](NCc2ccccc2C#N)[C@@H]2CCO[C@@H]21 ZINC000339504156 215214717 /nfs/dbraw/zinc/21/47/17/215214717.db2.gz DDNLBXDJQPKYMG-ZNMIVQPWSA-N 0 3 256.349 2.461 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N(CC)[C@@H]1CCN(CC)C1)OCC ZINC000617927265 348826669 /nfs/dbraw/zinc/82/66/69/348826669.db2.gz UKEMNJJDZSRWCN-HUUCEWRRSA-N 0 3 282.428 2.300 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N(CC)[C@H]1CCN(CC)C1)OCC ZINC000617927266 348826785 /nfs/dbraw/zinc/82/67/85/348826785.db2.gz UKEMNJJDZSRWCN-LSDHHAIUSA-N 0 3 282.428 2.300 20 30 CEEDHN Cc1cc(CNCCc2nccnc2C)ccc1C#N ZINC000339532342 215232875 /nfs/dbraw/zinc/23/28/75/215232875.db2.gz WPFMOCKBDNDBBE-UHFFFAOYSA-N 0 3 266.348 2.297 20 30 CEEDHN CN1CCC2(CCN(Cc3ccc(CC#N)cc3)CC2)C1=O ZINC000618547498 348972435 /nfs/dbraw/zinc/97/24/35/348972435.db2.gz SDLBVSJFWKCTGB-UHFFFAOYSA-N 0 3 297.402 2.197 20 30 CEEDHN C=CCC1(NC(=O)CCN2CCN(CC)CC2)CCCC1 ZINC000619108322 349120253 /nfs/dbraw/zinc/12/02/53/349120253.db2.gz SEGANNGNLJYTNM-UHFFFAOYSA-N 0 3 293.455 2.019 20 30 CEEDHN C=C(Br)CN[C@H](C)[C@@H](C)C(=O)OCC ZINC000273974988 192385013 /nfs/dbraw/zinc/38/50/13/192385013.db2.gz HXSSNZNPWBBOCE-RKDXNWHRSA-N 0 3 264.163 2.072 20 30 CEEDHN Cn1cc(CN[C@H]2CCc3ccccc3OC2)cc1C#N ZINC000377142968 282645886 /nfs/dbraw/zinc/64/58/86/282645886.db2.gz RIVPQSMALRXCQX-HNNXBMFYSA-N 0 3 281.359 2.380 20 30 CEEDHN C=C[C@@H](N[C@H](CN1CCCC1)c1ccccc1)C(=O)OC ZINC000619700280 349221007 /nfs/dbraw/zinc/22/10/07/349221007.db2.gz RENPTNNPFXUPNA-HZPDHXFCSA-N 0 3 288.391 2.141 20 30 CEEDHN C=CC[C@H](CO)CNCc1ccc(F)c(F)c1N(C)C ZINC000623483866 350031481 /nfs/dbraw/zinc/03/14/81/350031481.db2.gz VFAZSVOYIVUVJY-NSHDSACASA-N 0 3 284.350 2.305 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CCC=C(F)C2)CC1 ZINC000274096676 192437489 /nfs/dbraw/zinc/43/74/89/192437489.db2.gz JFJAPNAYSKRIEZ-UHFFFAOYSA-N 0 3 281.375 2.296 20 30 CEEDHN C=CCNC(=O)CN[C@H](c1ccccc1)C1CCC1 ZINC000104700780 186016503 /nfs/dbraw/zinc/01/65/03/186016503.db2.gz ZIYUCLQIYVSTQT-MRXNPFEDSA-N 0 3 258.365 2.420 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](c1ccccc1)C1CCC1 ZINC000104697577 186016541 /nfs/dbraw/zinc/01/65/41/186016541.db2.gz VOJSYMBHXGVWKZ-CJNGLKHVSA-N 0 3 270.376 2.255 20 30 CEEDHN N#Cc1ccc(CN[C@H](CO)[C@@H]2CCCOC2)c(Cl)c1 ZINC000411991026 233311939 /nfs/dbraw/zinc/31/19/39/233311939.db2.gz SGQNAZYKEDILGB-UKRRQHHQSA-N 0 3 294.782 2.089 20 30 CEEDHN N#Cc1ccc(Cl)cc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091670591 180224578 /nfs/dbraw/zinc/22/45/78/180224578.db2.gz FSMSRBXTPZRTMI-KGLIPLIRSA-N 0 3 291.782 2.487 20 30 CEEDHN C#Cc1cccc(NC(=O)N2CCCN(CC)CC2)c1 ZINC000105352499 186053298 /nfs/dbraw/zinc/05/32/98/186053298.db2.gz VIDQRMCRAFKIPJ-UHFFFAOYSA-N 0 3 271.364 2.227 20 30 CEEDHN C#CCOc1ccccc1CNC[C@H](O)Cc1ccccc1 ZINC000105493554 186060894 /nfs/dbraw/zinc/06/08/94/186060894.db2.gz JAWDOQWUMURMLS-GOSISDBHSA-N 0 3 295.382 2.392 20 30 CEEDHN C#CCOc1ccccc1CN1CCC[C@H](OC)C1 ZINC000091772670 180249870 /nfs/dbraw/zinc/24/98/70/180249870.db2.gz OCMRRAKNKDHWDO-HNNXBMFYSA-N 0 3 259.349 2.309 20 30 CEEDHN C=CCN(C[C@H](O)COc1ccc(OCC)cc1)C1CC1 ZINC000271349696 191087814 /nfs/dbraw/zinc/08/78/14/191087814.db2.gz CXXBSMOPRRQTGR-HNNXBMFYSA-N 0 3 291.391 2.475 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC=CCC2)CC1 ZINC000106038303 186099238 /nfs/dbraw/zinc/09/92/38/186099238.db2.gz VPBLTBSQIOIETP-AWEZNQCLSA-N 0 3 262.397 2.499 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000106036178 186099531 /nfs/dbraw/zinc/09/95/31/186099531.db2.gz PMYOHCSHKGDCHL-UHFFFAOYSA-N 0 3 290.411 2.303 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)C[C@H]1CCCOC1 ZINC000130467457 365960154 /nfs/dbraw/zinc/96/01/54/365960154.db2.gz UCQCELYVVDTLAE-CQSZACIVSA-N 0 3 274.364 2.425 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)C[C@@H]1CCCN1C ZINC000130483613 365961909 /nfs/dbraw/zinc/96/19/09/365961909.db2.gz SMNMHEYBVARFGP-HNNXBMFYSA-N 0 3 273.380 2.093 20 30 CEEDHN C=CC[C@@H]1CCN(Cc2nccc(OC)c2OC)C1 ZINC000625702059 350550177 /nfs/dbraw/zinc/55/01/77/350550177.db2.gz MSCGNMWYUCHOTB-GFCCVEGCSA-N 0 3 262.353 2.497 20 30 CEEDHN C=CC[C@@H]1CCN(Cc2cc(=O)n3cccc(C)c3n2)C1 ZINC000625702475 350550739 /nfs/dbraw/zinc/55/07/39/350550739.db2.gz GNZDHGFLAUFVHS-CQSZACIVSA-N 0 3 283.375 2.401 20 30 CEEDHN C=CC[C@H]1CCN(Cc2cccc(C(=O)NC)c2)C1 ZINC000625702294 350550761 /nfs/dbraw/zinc/55/07/61/350550761.db2.gz WVPPJFLSDWSHQT-ZDUSSCGKSA-N 0 3 258.365 2.444 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000625895912 350595136 /nfs/dbraw/zinc/59/51/36/350595136.db2.gz JPXNFNBCEQTXCQ-GFCCVEGCSA-N 0 3 286.379 2.157 20 30 CEEDHN C=CCOc1cccc(CN2C[C@H](O)[C@@H](CC)C2)c1 ZINC000271398675 191114903 /nfs/dbraw/zinc/11/49/03/191114903.db2.gz VGVUPPMOUCMSMS-HOCLYGCPSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@H]2C)CC1 ZINC000337003621 365980177 /nfs/dbraw/zinc/98/01/77/365980177.db2.gz XGFGMPVTIXSOOD-OCCSQVGLSA-N 0 3 265.401 2.125 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000110250506 186288938 /nfs/dbraw/zinc/28/89/38/186288938.db2.gz KQJSILTUNICRET-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000627085988 350830097 /nfs/dbraw/zinc/83/00/97/350830097.db2.gz COTMOYRMZDOICL-ZDUSSCGKSA-N 0 3 285.391 2.397 20 30 CEEDHN C=CC1CCN([C@@H](C)C(=O)NCCC(C)C)CC1 ZINC000111258996 186379752 /nfs/dbraw/zinc/37/97/52/186379752.db2.gz HFHNMHFJUPFGPS-ZDUSSCGKSA-N 0 3 252.402 2.435 20 30 CEEDHN C=CC[C@@H]1CCN(Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000628406580 351093929 /nfs/dbraw/zinc/09/39/29/351093929.db2.gz MQRUXCQGRDEUBC-GFCCVEGCSA-N 0 3 272.348 2.416 20 30 CEEDHN C=CC[C@@H]1CCN(Cc2ccnn2CCCOC)C1 ZINC000628406327 351093970 /nfs/dbraw/zinc/09/39/70/351093970.db2.gz HOLOUDJVRVZEMQ-CQSZACIVSA-N 0 3 263.385 2.318 20 30 CEEDHN CC(C)CN1CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000337124143 366027904 /nfs/dbraw/zinc/02/79/04/366027904.db2.gz CNVGQOKHOUTGLQ-UHFFFAOYSA-N 0 3 293.455 2.361 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1N1CCC[C@@H](N(C)C)C1 ZINC000131230842 366034099 /nfs/dbraw/zinc/03/40/99/366034099.db2.gz QZUYWGMLXSSULM-CQSZACIVSA-N 0 3 271.364 2.291 20 30 CEEDHN N#Cc1cc(CN2CC[C@]3(CCOC3)C2)ccc1F ZINC000122194946 187020413 /nfs/dbraw/zinc/02/04/13/187020413.db2.gz XGYJGPNYDLOOHU-HNNXBMFYSA-N 0 3 260.312 2.310 20 30 CEEDHN C=C1CC(C)(C(=O)NCCN2CCCC[C@@H]2C)C1 ZINC000630742868 351840012 /nfs/dbraw/zinc/84/00/12/351840012.db2.gz LFAJPUFIJMJMAY-ZDUSSCGKSA-N 0 3 250.386 2.333 20 30 CEEDHN CC(C)N(CCOc1ccccc1C#N)[C@@H]1CCOC1 ZINC000291760413 198083379 /nfs/dbraw/zinc/08/33/79/198083379.db2.gz LCYROQOBZWEVCL-OAHLLOKOSA-N 0 3 274.364 2.436 20 30 CEEDHN CCN1CCCN(Cc2cc(F)ccc2C#N)CC1 ZINC000123006419 187065815 /nfs/dbraw/zinc/06/58/15/187065815.db2.gz OQOKAMPLADLWKX-UHFFFAOYSA-N 0 3 261.344 2.225 20 30 CEEDHN C=CCN1CC[C@H](N2CC[C@@H](C)C(C)(C)C2)C1=O ZINC000337214650 366082430 /nfs/dbraw/zinc/08/24/30/366082430.db2.gz XSPSIKURQYTRAV-OLZOCXBDSA-N 0 3 250.386 2.141 20 30 CEEDHN COCC(C)(C)N(C)Cc1ccc(OC)c(C#N)c1 ZINC000292079872 198155033 /nfs/dbraw/zinc/15/50/33/198155033.db2.gz DIDQVXLBKVYLBK-UHFFFAOYSA-N 0 3 262.353 2.424 20 30 CEEDHN C[C@H]1C[C@@H](O)CCN1CCCOc1cccc(C#N)c1 ZINC000292506295 198313615 /nfs/dbraw/zinc/31/36/15/198313615.db2.gz VAAJHNPYKPHDGU-ZFWWWQNUSA-N 0 3 274.364 2.172 20 30 CEEDHN C=CCc1cc(CN(C)[C@@H]2CCOC2)cc(OC)c1O ZINC000132076300 366115437 /nfs/dbraw/zinc/11/54/37/366115437.db2.gz FAVCEIYRADLBNL-CQSZACIVSA-N 0 3 277.364 2.350 20 30 CEEDHN C#CCCOc1ccc(CN(C)[C@@H]2CCOC2)cc1 ZINC000132124065 366119744 /nfs/dbraw/zinc/11/97/44/366119744.db2.gz FGXMFXKEEDCJAV-OAHLLOKOSA-N 0 3 259.349 2.309 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)NCCN1CCCCCC1 ZINC000338151396 366213112 /nfs/dbraw/zinc/21/31/12/366213112.db2.gz KVSVWPQRIKVTKI-UHFFFAOYSA-N 0 3 285.391 2.473 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000338132040 366204915 /nfs/dbraw/zinc/20/49/15/366204915.db2.gz PXKXADHJCVSIKH-SMDDNHRTSA-N 0 3 271.364 2.079 20 30 CEEDHN C[C@H]1[C@H](C)N(Cc2ccc(C#N)cc2F)CCN1C ZINC000336385644 213240382 /nfs/dbraw/zinc/24/03/82/213240382.db2.gz BCSBLBZDHHGAQS-RYUDHWBXSA-N 0 3 261.344 2.222 20 30 CEEDHN N#CC1(CCN2CCC3(CNC(=O)C3)CC2)CCCCC1 ZINC000334563343 283044658 /nfs/dbraw/zinc/04/46/58/283044658.db2.gz JRHYBYWHSKQNJL-UHFFFAOYSA-N 0 3 289.423 2.453 20 30 CEEDHN N#Cc1cccc(OCCN2CCC(CCCO)CC2)c1 ZINC000272830461 191936271 /nfs/dbraw/zinc/93/62/71/191936271.db2.gz MSXUILBEHGYCIU-UHFFFAOYSA-N 0 3 288.391 2.422 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2ncc3c(c2C#N)CCC3)CCN1C ZINC000570083852 299236935 /nfs/dbraw/zinc/23/69/35/299236935.db2.gz NOQZBJKKAPHQOP-YPMHNXCESA-N 0 3 270.380 2.337 20 30 CEEDHN CCN1CCC(Nc2nc3ccccn3c2C#N)CC1 ZINC000272908621 191969795 /nfs/dbraw/zinc/96/97/95/191969795.db2.gz NKXZKOIHOOPICO-UHFFFAOYSA-N 0 3 269.352 2.102 20 30 CEEDHN N#Cc1ccc(CN2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000135513111 283142830 /nfs/dbraw/zinc/14/28/30/283142830.db2.gz XVWGCUNBKJJCCR-GJZGRUSLSA-N 0 3 274.389 2.265 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000338227195 366242995 /nfs/dbraw/zinc/24/29/95/366242995.db2.gz XRKPVIYASFWJQU-HNNXBMFYSA-N 0 3 285.391 2.469 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CCOCC3(CCC3)C2)cc1 ZINC000375197597 283188735 /nfs/dbraw/zinc/18/87/35/283188735.db2.gz OHZNEXGCHIVGCY-MRXNPFEDSA-N 0 3 286.375 2.094 20 30 CEEDHN C=CCc1cc(CNC[C@@H]2CCCO2)cc(OC)c1O ZINC000076274874 363532556 /nfs/dbraw/zinc/53/25/56/363532556.db2.gz WAXZZDKORKEJEP-AWEZNQCLSA-N 0 3 277.364 2.398 20 30 CEEDHN C=CCCCN(C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000076735622 363543822 /nfs/dbraw/zinc/54/38/22/363543822.db2.gz YPIBCNFTYMNCPL-DZGCQCFKSA-N 0 3 265.401 2.327 20 30 CEEDHN N#Cc1cc(NC[C@@H](c2ccccc2)N2CCCC2)ncn1 ZINC000575819827 366365551 /nfs/dbraw/zinc/36/55/51/366365551.db2.gz FRLWAOGXYUVVDX-INIZCTEOSA-N 0 3 293.374 2.019 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2ccncc2Cl)CC1 ZINC000668369283 538893819 /nfs/dbraw/zinc/89/38/19/538893819.db2.gz SRPVYINPJZGRRW-UHFFFAOYSA-N 0 3 293.798 2.044 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(C)cc1 ZINC000079323871 363589153 /nfs/dbraw/zinc/58/91/53/363589153.db2.gz BZTLKXSKKXOMCS-CHWSQXEVSA-N 0 3 289.379 2.046 20 30 CEEDHN COC[C@@]1(C)CCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000294333738 199002242 /nfs/dbraw/zinc/00/22/42/199002242.db2.gz XXFIPZAIEFFPTR-INIZCTEOSA-N 0 3 274.364 2.425 20 30 CEEDHN CS[C@@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000294475522 199054249 /nfs/dbraw/zinc/05/42/49/199054249.db2.gz WJSNTCLCQVLTPG-KGLIPLIRSA-N 0 3 262.378 2.029 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000336207848 213028338 /nfs/dbraw/zinc/02/83/38/213028338.db2.gz BDLNCTDABDIWGX-MRXNPFEDSA-N 0 3 283.375 2.033 20 30 CEEDHN C[C@H](C#N)CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000577944851 366419187 /nfs/dbraw/zinc/41/91/87/366419187.db2.gz UNXPHABBNPJHTE-VNHYZAJKSA-N 0 3 288.395 2.137 20 30 CEEDHN N#Cc1ccccc1OCCN1CC[C@H](O)CC12CCC2 ZINC000578126005 366446306 /nfs/dbraw/zinc/44/63/06/366446306.db2.gz ZGMMSTMARXOJHK-HNNXBMFYSA-N 0 3 286.375 2.316 20 30 CEEDHN CC[C@@H](C)NC(=O)CCNCc1ccc(C#N)s1 ZINC000135681429 366466438 /nfs/dbraw/zinc/46/64/38/366466438.db2.gz RQIOMMGDJPLGJS-SNVBAGLBSA-N 0 3 265.382 2.014 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(CC(C)C)C(C)C ZINC000079960987 363636372 /nfs/dbraw/zinc/63/63/72/363636372.db2.gz QYPSWECXPPRHPF-AWEZNQCLSA-N 0 3 267.417 2.361 20 30 CEEDHN C[C@@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccc(C#N)cc1 ZINC000417117197 237011791 /nfs/dbraw/zinc/01/17/91/237011791.db2.gz RTXQACDCGRZAJC-JHJVBQTASA-N 0 3 286.379 2.011 20 30 CEEDHN COCC#CCN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000671719309 540491000 /nfs/dbraw/zinc/49/10/00/540491000.db2.gz UKYRANHUFPHJRG-KZNAEPCWSA-N 0 3 285.387 2.141 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCCN(c2ccccc2F)CC1 ZINC000671733076 540494418 /nfs/dbraw/zinc/49/44/18/540494418.db2.gz RHTDOHIXBFHFRV-MRXNPFEDSA-N 0 3 278.371 2.275 20 30 CEEDHN CCN1CCCC[C@@H]1CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000297108592 200086744 /nfs/dbraw/zinc/08/67/44/200086744.db2.gz LPSAZENATRUJRW-GFCCVEGCSA-N 0 3 289.339 2.148 20 30 CEEDHN Cn1nccc1[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000338915959 366570219 /nfs/dbraw/zinc/57/02/19/366570219.db2.gz KEQDLJAZLPLFSV-MGPQQGTHSA-N 0 3 258.369 2.292 20 30 CEEDHN CN(CC#Cc1ccc(F)cc1)CC1(O)CCCC1 ZINC000151996999 366682057 /nfs/dbraw/zinc/68/20/57/366682057.db2.gz SMCBZNMRGDGKMG-UHFFFAOYSA-N 0 3 261.340 2.414 20 30 CEEDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1cc(C#N)cs1 ZINC000179167863 189174090 /nfs/dbraw/zinc/17/40/90/189174090.db2.gz LOEQNESSPTZJER-CYBMUJFWSA-N 0 3 291.420 2.470 20 30 CEEDHN N#Cc1ccc(CNC[C@H](O)Cc2ccccc2)c(F)c1 ZINC000342190014 216252377 /nfs/dbraw/zinc/25/23/77/216252377.db2.gz JEMAVCCLRBPZFE-MRXNPFEDSA-N 0 3 284.334 2.391 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H](C)C2CCC2)CC1 ZINC000677332272 541005711 /nfs/dbraw/zinc/00/57/11/541005711.db2.gz BPEPFIBDNDAIOM-GFCCVEGCSA-N 0 3 265.401 2.125 20 30 CEEDHN CCC#C[C@H](C)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000677477816 541018336 /nfs/dbraw/zinc/01/83/36/541018336.db2.gz ZVXBWZJTNPJXGC-DZGCQCFKSA-N 0 3 262.397 2.027 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000677479916 541018859 /nfs/dbraw/zinc/01/88/59/541018859.db2.gz QZPKMIPLMUYLDN-MRXNPFEDSA-N 0 3 294.439 2.084 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CC12CCOCC2 ZINC000580041018 366739391 /nfs/dbraw/zinc/73/93/91/366739391.db2.gz YSYRNECIPFMXGH-HOTGVXAUSA-N 0 3 298.386 2.444 20 30 CEEDHN CC(C)(C)[C@@H](NC(=O)[C@H](N)CCCC#N)C(F)(F)F ZINC000580768366 366780066 /nfs/dbraw/zinc/78/00/66/366780066.db2.gz RTEBHPMUFLSWRG-PSASIEDQSA-N 0 3 279.306 2.101 20 30 CEEDHN C[C@H](CNC(=O)c1ccc(C#N)o1)N(C)Cc1ccccc1 ZINC000340163512 366787006 /nfs/dbraw/zinc/78/70/06/366787006.db2.gz ZTXWMDWIZZMUBZ-CYBMUJFWSA-N 0 3 297.358 2.402 20 30 CEEDHN N#Cc1cccc(CN2CCOCC3(CCOCC3)C2)c1 ZINC000184067253 189375591 /nfs/dbraw/zinc/37/55/91/189375591.db2.gz UMHSLHCFSXHKEC-UHFFFAOYSA-N 0 3 286.375 2.187 20 30 CEEDHN C=CC[C@@H](CO)CNCc1c(C)nc2sc(C)cn12 ZINC000678732158 541167573 /nfs/dbraw/zinc/16/75/73/541167573.db2.gz HGPVVDSLRJWUTP-GFCCVEGCSA-N 0 3 279.409 2.287 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000678732324 541167752 /nfs/dbraw/zinc/16/77/52/541167752.db2.gz LKNJSRWHWKMHSA-GXFFZTMASA-N 0 3 253.317 2.422 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000678847422 541183212 /nfs/dbraw/zinc/18/32/12/541183212.db2.gz ZAAGITRSGVMHAY-CHWSQXEVSA-N 0 3 253.390 2.125 20 30 CEEDHN CC(C#N)C(=O)NCCc1cccc2cccnc21 ZINC000084796668 363823243 /nfs/dbraw/zinc/82/32/43/363823243.db2.gz JVQOVHXLBLIZKB-NSHDSACASA-N 0 3 253.305 2.053 20 30 CEEDHN Cn1ncc2c1CCC[C@H]2NCCOc1ccc(C#N)cc1 ZINC000090106566 364040708 /nfs/dbraw/zinc/04/07/08/364040708.db2.gz VCTYRAVQJNWASP-MRXNPFEDSA-N 0 3 296.374 2.338 20 30 CEEDHN C=CCOc1ccc(CN2CCC[C@H](C(=O)NC)C2)cc1 ZINC000093360468 364169500 /nfs/dbraw/zinc/16/95/00/364169500.db2.gz FJFMKOKQKCIJLI-HNNXBMFYSA-N 0 3 288.391 2.209 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@](O)(C3CC3)C2)cc1F ZINC000334707837 364213417 /nfs/dbraw/zinc/21/34/17/364213417.db2.gz IWSGSYNARRKZFI-HNNXBMFYSA-N 0 3 260.312 2.044 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)NCC2=CCN(C)CC2)c1 ZINC000334989878 364316585 /nfs/dbraw/zinc/31/65/85/364316585.db2.gz FTEUFMXMWDUEKW-UHFFFAOYSA-N 0 3 284.363 2.250 20 30 CEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1sccc1C#N ZINC000335103124 364480305 /nfs/dbraw/zinc/48/03/05/364480305.db2.gz GEJWCXNJMLUHGW-DGCLKSJQSA-N 0 3 289.404 2.319 20 30 CEEDHN Cc1cc(CN2CCC[C@@H]([C@@H](C)O)C2)ccc1C#N ZINC000572093814 299345095 /nfs/dbraw/zinc/34/50/95/299345095.db2.gz UIOQUYPNTMEUCL-CZUORRHYSA-N 0 3 258.365 2.460 20 30 CEEDHN C#Cc1cccc(NC(=O)NCCN(CC)C2CC2)c1 ZINC000102067605 364585129 /nfs/dbraw/zinc/58/51/29/364585129.db2.gz XVTSNZZZYJHQRD-UHFFFAOYSA-N 0 3 271.364 2.274 20 30 CEEDHN Cc1cc(CN2CCC[C@H](CO)[C@H]2C)ccc1C#N ZINC000335182176 364587812 /nfs/dbraw/zinc/58/78/12/364587812.db2.gz ZQHCKRWSXZLKAS-CZUORRHYSA-N 0 3 258.365 2.460 20 30 CEEDHN C=CCCC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000102468450 364595412 /nfs/dbraw/zinc/59/54/12/364595412.db2.gz GBQLAZKLJCLQRU-UHFFFAOYSA-N 0 3 276.380 2.209 20 30 CEEDHN CCN(CCC#N)C(=O)CN(C1CC1)C1CCCC1 ZINC000103466100 364655716 /nfs/dbraw/zinc/65/57/16/364655716.db2.gz ZMOVLEUMXRANAR-UHFFFAOYSA-N 0 3 263.385 2.156 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C1CC1)C1CCCC1 ZINC000103466072 364656305 /nfs/dbraw/zinc/65/63/05/364656305.db2.gz YODUKFFNFBBNFT-ZDUSSCGKSA-N 0 3 277.412 2.402 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000335474383 364781778 /nfs/dbraw/zinc/78/17/78/364781778.db2.gz SKFMVTKSVVZXRD-CYBMUJFWSA-N 0 3 287.363 2.160 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCCC(C)(C)C1 ZINC000112702010 364829882 /nfs/dbraw/zinc/82/98/82/364829882.db2.gz FLKATPVPEPUWIY-UHFFFAOYSA-N 0 3 250.386 2.309 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(C#N)o1 ZINC000335766827 364952414 /nfs/dbraw/zinc/95/24/14/364952414.db2.gz IYVPKBRXCIBLFV-ZDUSSCGKSA-N 0 3 275.352 2.001 20 30 CEEDHN CCCCNC(=O)CCN(C)Cc1ccc(C#N)cc1 ZINC000116272607 365047298 /nfs/dbraw/zinc/04/72/98/365047298.db2.gz SMJRKUJQWGKEOH-UHFFFAOYSA-N 0 3 273.380 2.296 20 30 CEEDHN CN(C)Cc1ccc(C(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000117717267 365121636 /nfs/dbraw/zinc/12/16/36/365121636.db2.gz ZNXACMOODISYDB-UHFFFAOYSA-N 0 3 297.362 2.111 20 30 CEEDHN COCCOC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000116884779 365078074 /nfs/dbraw/zinc/07/80/74/365078074.db2.gz FDNOVPUOKKVPKN-UHFFFAOYSA-N 0 3 274.364 2.186 20 30 CEEDHN C#Cc1cccc(NC(=O)N(C)C[C@@H]2CCCN(C)C2)c1 ZINC000118798743 365179986 /nfs/dbraw/zinc/17/99/86/365179986.db2.gz CYAUTYYACZMSKQ-OAHLLOKOSA-N 0 3 285.391 2.473 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](CC)C2)CC1 ZINC000119126323 365222091 /nfs/dbraw/zinc/22/20/91/365222091.db2.gz GJXQWWBBWCAEFY-AWEZNQCLSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000638875474 370813432 /nfs/dbraw/zinc/81/34/32/370813432.db2.gz VADQWCCEHUBDGK-CHWSQXEVSA-N 0 3 252.402 2.483 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)CCN1C ZINC000336003299 365276899 /nfs/dbraw/zinc/27/68/99/365276899.db2.gz HXFXEYWSVVEVLB-GWCFXTLKSA-N 0 3 290.342 2.302 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CC(=O)N(c3ccccc3F)C2)C1 ZINC000582275204 366887957 /nfs/dbraw/zinc/88/79/57/366887957.db2.gz FBMNIQICZFGUMM-FRRDWIJNSA-N 0 3 287.338 2.213 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)Nc2cccc(C#N)c2)CN1C1CC1 ZINC000119848518 365334126 /nfs/dbraw/zinc/33/41/26/365334126.db2.gz JQLXLKHQOLIWKQ-SMDDNHRTSA-N 0 3 284.363 2.305 20 30 CEEDHN C=CCC[C@H](O)CN(CC)CCc1nccs1 ZINC000159198416 366887598 /nfs/dbraw/zinc/88/75/98/366887598.db2.gz KTFYHINLJRVXPW-LBPRGKRZSA-N 0 3 254.399 2.335 20 30 CEEDHN C=C(C)COc1cc(CNC2(CO)CC2)ccc1OC ZINC000120331440 365407541 /nfs/dbraw/zinc/40/75/41/365407541.db2.gz SBHLHWFKDYYWCM-UHFFFAOYSA-N 0 3 277.364 2.265 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccccn3)C2)cc1 ZINC000120599978 365447911 /nfs/dbraw/zinc/44/79/11/365447911.db2.gz NAIGCVZYPFEXIM-INIZCTEOSA-N 0 3 278.359 2.322 20 30 CEEDHN C=CCOc1cccc(CN2CCC(CC(N)=O)CC2)c1 ZINC000159756413 366946038 /nfs/dbraw/zinc/94/60/38/366946038.db2.gz ODUBRBCUHRUKHL-UHFFFAOYSA-N 0 3 288.391 2.339 20 30 CEEDHN COc1ccc(CN(C)C[C@@H]2CCC[C@@H]2O)cc1C#N ZINC000159461938 366915921 /nfs/dbraw/zinc/91/59/21/366915921.db2.gz HTUYUXDGCGFYLL-ZFWWWQNUSA-N 0 3 274.364 2.160 20 30 CEEDHN N#Cc1ccc(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)s1 ZINC000582972941 366984928 /nfs/dbraw/zinc/98/49/28/366984928.db2.gz LPCXLGJFOCWKQI-SDDRHHMPSA-N 0 3 262.378 2.213 20 30 CEEDHN N#Cc1cnn2cc(CN3CC[C@@H]4CCCC[C@@H]43)cnc12 ZINC000583441537 367049584 /nfs/dbraw/zinc/04/95/84/367049584.db2.gz SPFLVUCIEMBBJJ-ZFWWWQNUSA-N 0 3 281.363 2.365 20 30 CEEDHN C[C@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(Cl)cc1 ZINC000583689055 367084290 /nfs/dbraw/zinc/08/42/90/367084290.db2.gz QISWAJMSRWNYHI-SWLSCSKDSA-N 0 3 295.814 2.197 20 30 CEEDHN CN1C[C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)CC1=O ZINC000583700951 367085422 /nfs/dbraw/zinc/08/54/22/367085422.db2.gz HDCHEHXGWNYLJL-GDBMZVCRSA-N 0 3 283.375 2.146 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)NCCN1CCCCC1 ZINC000161699005 367106437 /nfs/dbraw/zinc/10/64/37/367106437.db2.gz WZDFLDHANHQNIF-UHFFFAOYSA-N 0 3 271.364 2.082 20 30 CEEDHN N#Cc1cnn2cc(CN3C[C@@H](C4CC4)[C@@H]3C3CC3)cnc12 ZINC000584530092 367169350 /nfs/dbraw/zinc/16/93/50/367169350.db2.gz LEZPHQUTOPVRFK-HOTGVXAUSA-N 0 3 293.374 2.221 20 30 CEEDHN C[C@H](CC[S@@](C)=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000164639833 367292287 /nfs/dbraw/zinc/29/22/87/367292287.db2.gz UCSYKNGCUTXQGW-SOZUMNATSA-N 0 3 264.394 2.366 20 30 CEEDHN Cn1ncc(Cl)c1CNCC(C)(C)CCC#N ZINC000342278969 367397443 /nfs/dbraw/zinc/39/74/43/367397443.db2.gz MCPCPQCKGLXPMC-UHFFFAOYSA-N 0 3 254.765 2.493 20 30 CEEDHN CC#CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000342795285 367539280 /nfs/dbraw/zinc/53/92/80/367539280.db2.gz FJBFYZXGVMYFLS-GOEBONIOSA-N 0 3 285.391 2.144 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(c3ccccc3)CC2)CC1 ZINC000171727610 367604166 /nfs/dbraw/zinc/60/41/66/367604166.db2.gz JPZUFWWJGQCOSG-UHFFFAOYSA-N 0 3 284.403 2.485 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCc2ccccc2)CC1 ZINC000171680266 367592115 /nfs/dbraw/zinc/59/21/15/367592115.db2.gz YEEMLMZJFMQOCQ-UHFFFAOYSA-N 0 3 287.407 2.179 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000682038996 541624151 /nfs/dbraw/zinc/62/41/51/541624151.db2.gz OLKXEYVOHWPDMS-NEPJUHHUSA-N 0 3 281.318 2.357 20 30 CEEDHN CCCCN(CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000343121031 367674981 /nfs/dbraw/zinc/67/49/81/367674981.db2.gz PWNGSNZOBIQFFZ-UHFFFAOYSA-N 0 3 285.391 2.439 20 30 CEEDHN CC(C)C[C@@H](CNC(=O)c1cccc(CC#N)c1)N(C)C ZINC000172198592 367696849 /nfs/dbraw/zinc/69/68/49/367696849.db2.gz SZEPSLWUAWREHC-INIZCTEOSA-N 0 3 287.407 2.459 20 30 CEEDHN C=C(C)CN(CC)CCC(=O)NCC(=O)c1ccccc1 ZINC000358053263 370885902 /nfs/dbraw/zinc/88/59/02/370885902.db2.gz UWBRPSDZDQPQOX-UHFFFAOYSA-N 0 3 288.391 2.274 20 30 CEEDHN C=CCN(CCC(=O)NCC(=O)c1ccccc1)C1CC1 ZINC000358056845 370887792 /nfs/dbraw/zinc/88/77/92/370887792.db2.gz CQURTSYIAIHYMW-UHFFFAOYSA-N 0 3 286.375 2.026 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CCCN1C ZINC000343438051 367814318 /nfs/dbraw/zinc/81/43/18/367814318.db2.gz LVAUIQIMPGUNHV-CJNGLKHVSA-N 0 3 297.402 2.454 20 30 CEEDHN CCOCCO[C@H]1CCN(Cc2ccc(CC#N)cc2)C1 ZINC000343420226 367804775 /nfs/dbraw/zinc/80/47/75/367804775.db2.gz MUSVPPXSEIKHBR-KRWDZBQOSA-N 0 3 288.391 2.380 20 30 CEEDHN C[C@@H]1[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])CCCN1C ZINC000343530860 367867271 /nfs/dbraw/zinc/86/72/71/367867271.db2.gz PGWRMWRJPKUUGW-ZYHUDNBSSA-N 0 3 274.324 2.361 20 30 CEEDHN C=CCOc1ccccc1C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343447937 367820844 /nfs/dbraw/zinc/82/08/44/367820844.db2.gz PLWNATRWAOVYNV-DZGCQCFKSA-N 0 3 288.391 2.464 20 30 CEEDHN C=CCCOCCCCC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343457505 367827287 /nfs/dbraw/zinc/82/72/87/367827287.db2.gz QVCRUCYUACMONR-GJZGRUSLSA-N 0 3 282.428 2.348 20 30 CEEDHN C[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CC(C)(C)C1 ZINC000344039737 368104324 /nfs/dbraw/zinc/10/43/24/368104324.db2.gz UMYNHXIYLZYSNQ-CQSZACIVSA-N 0 3 290.411 2.010 20 30 CEEDHN CCN(CCC#N)C(=O)CN(C)C[C@H]1CC=CCC1 ZINC000344074747 368106056 /nfs/dbraw/zinc/10/60/56/368106056.db2.gz UPYZISANQHYWRK-AWEZNQCLSA-N 0 3 263.385 2.037 20 30 CEEDHN C=CCC(C)(C)C(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000344066367 368106108 /nfs/dbraw/zinc/10/61/08/368106108.db2.gz MDUKISYZQGSKSD-VXGBXAGGSA-N 0 3 270.442 2.093 20 30 CEEDHN CN(CCCC#N)CCOCc1ccc(C#N)cc1 ZINC000344116760 368108411 /nfs/dbraw/zinc/10/84/11/368108411.db2.gz PGTRRFMAPXEALM-UHFFFAOYSA-N 0 3 257.337 2.310 20 30 CEEDHN CC[S@@](=O)[C@H]1CCC[C@H](NCc2ccc(C#N)o2)C1 ZINC000175863781 368184070 /nfs/dbraw/zinc/18/40/70/368184070.db2.gz AQUZTTZBMBXUDN-NXPJVHOHSA-N 0 3 280.393 2.321 20 30 CEEDHN C=C1CC(C)(C(=O)N2CCC(N3CCCOCC3)CC2)C1 ZINC000633410106 368239100 /nfs/dbraw/zinc/23/91/00/368239100.db2.gz DHNPWZJTUUWLCS-UHFFFAOYSA-N 0 3 292.423 2.056 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)CCCN1C ZINC000345283123 368220011 /nfs/dbraw/zinc/22/00/11/368220011.db2.gz SOFNGZCBUMJNJN-HZMBPMFUSA-N 0 3 290.342 2.302 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](C)[C@H]1C ZINC000177910407 368283317 /nfs/dbraw/zinc/28/33/17/368283317.db2.gz NUPGJHPGSIRDPQ-MJBXVCDLSA-N 0 3 250.386 2.306 20 30 CEEDHN COc1ncccc1NC(=O)C(C#N)c1nc(C)cs1 ZINC000179457000 368340682 /nfs/dbraw/zinc/34/06/82/368340682.db2.gz VYVZCEMIBYUKGK-SECBINFHSA-N 0 3 288.332 2.101 20 30 CEEDHN C[C@@H](C#N)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000345798378 368425994 /nfs/dbraw/zinc/42/59/94/368425994.db2.gz NCMJFTIPQYRZHW-DZGCQCFKSA-N 0 3 271.364 2.099 20 30 CEEDHN C[C@@H](CO[C@@H]1CCOC1)N[C@@H](C)c1cccc(C#N)c1 ZINC000181876737 368502740 /nfs/dbraw/zinc/50/27/40/368502740.db2.gz JZKFIUQTOCJRCE-HEHGZKQESA-N 0 3 274.364 2.403 20 30 CEEDHN CCCC[C@H](NCC(=O)NCC#N)c1ccc(OC)cc1 ZINC000182151646 368529586 /nfs/dbraw/zinc/52/95/86/368529586.db2.gz XQBMIEQBIUTCNL-HNNXBMFYSA-N 0 3 289.379 2.156 20 30 CEEDHN C[C@H](NCC1(CS(C)(=O)=O)CC1)c1cccc(C#N)c1 ZINC000181996161 368513885 /nfs/dbraw/zinc/51/38/85/368513885.db2.gz NTKRGBJJYJGBKZ-LBPRGKRZSA-N 0 3 292.404 2.034 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)cc2)C[C@H]1C ZINC000346174591 368577816 /nfs/dbraw/zinc/57/78/16/368577816.db2.gz UROWTWLFGJJLHG-ZIAGYGMSSA-N 0 3 257.381 2.473 20 30 CEEDHN C[C@@H](C#N)CNC1CCN(CCC(F)(F)F)CC1 ZINC000183830528 368652805 /nfs/dbraw/zinc/65/28/05/368652805.db2.gz AFQYXTZONHCHIA-JTQLQIEISA-N 0 3 263.307 2.152 20 30 CEEDHN CS[C@H]1CCCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346450866 368680034 /nfs/dbraw/zinc/68/00/34/368680034.db2.gz 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CC#CC[C@H](CO)NC/C=C\c1ccc(F)cc1F ZINC000641767106 372705559 /nfs/dbraw/zinc/70/55/59/372705559.db2.gz GUWBWALMLFBBQC-ZRUQZJFASA-N 0 3 265.303 2.342 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cnn(-c2ccccc2C)c1 ZINC000641766901 372705599 /nfs/dbraw/zinc/70/55/99/372705599.db2.gz DLUNZVWXAGYGMF-INIZCTEOSA-N 0 3 283.375 2.045 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cc2ccc(C)cc2[nH]1 ZINC000641767652 372706200 /nfs/dbraw/zinc/70/62/00/372706200.db2.gz NLJLTHGXPXITQJ-AWEZNQCLSA-N 0 3 256.349 2.340 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc(OC(F)F)c(OC)c1 ZINC000641768674 372708981 /nfs/dbraw/zinc/70/89/81/372708981.db2.gz FUIJLERKRJZQTE-GFCCVEGCSA-N 0 3 299.317 2.161 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc(OC(C)C)c(OC)c1 ZINC000641768852 372709516 /nfs/dbraw/zinc/70/95/16/372709516.db2.gz JSLYBGIDJWDHMK-OAHLLOKOSA-N 0 3 291.391 2.346 20 30 CEEDHN CC#CC[C@H](CO)NCc1cccc(Br)c1 ZINC000641769017 372710149 /nfs/dbraw/zinc/71/01/49/372710149.db2.gz NWSJBKOOPIVGRA-CYBMUJFWSA-N 0 3 282.181 2.313 20 30 CEEDHN C=CCOc1ccc(CN(C)CCO)cc1Cl ZINC000271010042 373062742 /nfs/dbraw/zinc/06/27/42/373062742.db2.gz PCYKFNAOYMECAR-UHFFFAOYSA-N 0 3 255.745 2.329 20 30 CEEDHN CCCN(CCN(C)C)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000344869425 217337703 /nfs/dbraw/zinc/33/77/03/217337703.db2.gz GTGKDDSYZWMSOA-UHFFFAOYSA-N 0 3 299.418 2.390 20 30 CEEDHN CS[C@H](CO)[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271937705 373225066 /nfs/dbraw/zinc/22/50/66/373225066.db2.gz KOBAFTABDFSMAL-IMSIIYSGSA-N 0 3 282.384 2.460 20 30 CEEDHN C=CCN(CCC(=O)N(C)CC)CCc1ccco1 ZINC000272284762 373407814 /nfs/dbraw/zinc/40/78/14/373407814.db2.gz NHSVEZVBNOKKKO-UHFFFAOYSA-N 0 3 264.369 2.179 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000344982708 217377137 /nfs/dbraw/zinc/37/71/37/217377137.db2.gz RJPBDKXIBMZXPP-GXTWGEPZSA-N 0 3 286.379 2.471 20 30 CEEDHN C[C@@H](CC(=O)N(C)C)NC1(c2cccc(C#N)c2)CC1 ZINC000272319914 373429124 /nfs/dbraw/zinc/42/91/24/373429124.db2.gz VUCXERDTEPXSCY-LBPRGKRZSA-N 0 3 271.364 2.004 20 30 CEEDHN C=CCOCCN[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000272491766 373512455 /nfs/dbraw/zinc/51/24/55/373512455.db2.gz CKKGXHPHJJQOCN-CYBMUJFWSA-N 0 3 272.352 2.121 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H](C)c1sccc1C ZINC000272870040 373688547 /nfs/dbraw/zinc/68/85/47/373688547.db2.gz OPEZPYLUKWZTTC-NSHDSACASA-N 0 3 273.423 2.308 20 30 CEEDHN C=CCOCCN1CCC(CC(=O)NC2CCCC2)CC1 ZINC000645079016 373842056 /nfs/dbraw/zinc/84/20/56/373842056.db2.gz CTDZXUIMJKPBSV-UHFFFAOYSA-N 0 3 294.439 2.350 20 30 CEEDHN CC(C)N1CCC[C@H](NC(=O)c2cccc(C#N)c2)C1 ZINC000274533994 373954743 /nfs/dbraw/zinc/95/47/43/373954743.db2.gz UVQVFECLFDBGLF-HNNXBMFYSA-N 0 3 271.364 2.161 20 30 CEEDHN C=CCC[C@@H](O)CN1CC[C@@H](O)c2ccccc2C1 ZINC000371822615 373986703 /nfs/dbraw/zinc/98/67/03/373986703.db2.gz MFMFWYAYZUPHCV-GDBMZVCRSA-N 0 3 261.365 2.253 20 30 CEEDHN COc1cc(CN2CCC23CCOCC3)ccc1C#N ZINC000373025459 374246896 /nfs/dbraw/zinc/24/68/96/374246896.db2.gz OZNYDKXGYJYKHX-UHFFFAOYSA-N 0 3 272.348 2.322 20 30 CEEDHN Cc1ccc(CN2CCC(n3cnc(C#N)n3)CC2)s1 ZINC000373486618 374364514 /nfs/dbraw/zinc/36/45/14/374364514.db2.gz SPRFSJIRDHTRDA-UHFFFAOYSA-N 0 3 287.392 2.357 20 30 CEEDHN CCOCC[C@@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000277655561 374595921 /nfs/dbraw/zinc/59/59/21/374595921.db2.gz IQVHGKBGIFFAPK-QGZVFWFLSA-N 0 3 288.391 2.310 20 30 CEEDHN C#CCN[C@H](c1ccc(OC)cc1)C1CCOCC1 ZINC000374979891 374639238 /nfs/dbraw/zinc/63/92/38/374639238.db2.gz MZANLWQGLZAYQQ-MRXNPFEDSA-N 0 3 259.349 2.386 20 30 CEEDHN C#CCN1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000375023110 374641251 /nfs/dbraw/zinc/64/12/51/374641251.db2.gz SYJYPCBJDDGWLW-UHFFFAOYSA-N 0 3 278.396 2.343 20 30 CEEDHN C[C@H](N[C@H]1CCc2nccn2C1)c1ccc(C#N)s1 ZINC000375843471 374685477 /nfs/dbraw/zinc/68/54/77/374685477.db2.gz SHOOKWNEPPTWJK-QWRGUYRKSA-N 0 3 272.377 2.482 20 30 CEEDHN COc1ccc(C#N)cc1NC(=O)C1CCN(C2CC2)CC1 ZINC000278218972 374754199 /nfs/dbraw/zinc/75/41/99/374754199.db2.gz ICRJYOSLCIPXFC-UHFFFAOYSA-N 0 3 299.374 2.380 20 30 CEEDHN C=CCNC(=O)CN1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000278400782 374805213 /nfs/dbraw/zinc/80/52/13/374805213.db2.gz GEMSYQJMUSXSPG-ZBFHGGJFSA-N 0 3 272.392 2.475 20 30 CEEDHN CC[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(C#N)cc1 ZINC000278358660 374790399 /nfs/dbraw/zinc/79/03/99/374790399.db2.gz BFLYCFGHVGCBAL-GOEBONIOSA-N 0 3 283.375 2.362 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2CCC[C@@H]2C2CC2)cc1 ZINC000377544431 374880114 /nfs/dbraw/zinc/88/01/14/374880114.db2.gz OCQUMTINYVOIKQ-MRXNPFEDSA-N 0 3 283.375 2.049 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@@](CO)(C(C)C)C1 ZINC000377654455 374911867 /nfs/dbraw/zinc/91/18/67/374911867.db2.gz OJURFMJXAQLWKH-QGZVFWFLSA-N 0 3 288.391 2.407 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc(O)c1OC ZINC000280596321 375256010 /nfs/dbraw/zinc/25/60/10/375256010.db2.gz BXZXZCKRLDQXOL-ZFWWWQNUSA-N 0 3 277.364 2.472 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(COC)o1 ZINC000280764037 375313469 /nfs/dbraw/zinc/31/34/69/375313469.db2.gz ZAEPPKBYRXRQMZ-DOMZBBRYSA-N 0 3 265.353 2.497 20 30 CEEDHN CC[C@@H]1[C@H](CO)CCN1Cc1ccc(F)c(C#N)c1 ZINC000386274397 375256915 /nfs/dbraw/zinc/25/69/15/375256915.db2.gz MVMGFZUBEXJZJL-SWLSCSKDSA-N 0 3 262.328 2.290 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(C(=O)OC)c(C)o1 ZINC000280826729 375334911 /nfs/dbraw/zinc/33/49/11/375334911.db2.gz WFFQGWLUZSGNNI-IUODEOHRSA-N 0 3 293.363 2.445 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C)[C@@H]1C ZINC000408348238 375458862 /nfs/dbraw/zinc/45/88/62/375458862.db2.gz ZYQNPIYQDNMLBO-COMQUAJESA-N 0 3 265.401 2.160 20 30 CEEDHN CC(C)C(=O)NC[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000408381304 375465645 /nfs/dbraw/zinc/46/56/45/375465645.db2.gz JIZFGFYWAXCMDZ-KKUMJFAQSA-N 0 3 277.412 2.163 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCCCC[C@H]1C[C@@H](C)O ZINC000286210804 375873407 /nfs/dbraw/zinc/87/34/07/375873407.db2.gz YHWLJZVNAPRHLX-CVEARBPZSA-N 0 3 294.439 2.203 20 30 CEEDHN Cn1cc(CN[C@@H]2CCN(c3ccc(F)cc3)C2)cc1C#N ZINC000414585609 375869262 /nfs/dbraw/zinc/86/92/62/375869262.db2.gz OBQUPOXEACVQAN-OAHLLOKOSA-N 0 3 298.365 2.404 20 30 CEEDHN C=CC(C)(C)CNC(=O)NCCCNCc1cccnc1 ZINC000418256451 376246019 /nfs/dbraw/zinc/24/60/19/376246019.db2.gz SWQUFUOGOKNRES-UHFFFAOYSA-N 0 3 290.411 2.073 20 30 CEEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000263642035 190071557 /nfs/dbraw/zinc/07/15/57/190071557.db2.gz CRPHHTQVMNVCKE-OAHLLOKOSA-N 0 3 258.365 2.343 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419391260 376450266 /nfs/dbraw/zinc/45/02/66/376450266.db2.gz JKYQFZJCKMMAAW-BFHYXJOUSA-N 0 3 250.386 2.163 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)NCC1(C#N)CCC1 ZINC000419468253 376456829 /nfs/dbraw/zinc/45/68/29/376456829.db2.gz WMVQOONIYOFFTM-CQSZACIVSA-N 0 3 292.427 2.244 20 30 CEEDHN CC[C@H](C)N(CCO)Cc1cccc(C#N)c1F ZINC000310642353 376630770 /nfs/dbraw/zinc/63/07/70/376630770.db2.gz UDDIYYIJANJDKD-NSHDSACASA-N 0 3 250.317 2.290 20 30 CEEDHN C[C@@H](CF)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000290083624 376635190 /nfs/dbraw/zinc/63/51/90/376635190.db2.gz GPJVAQCDVQESQD-ZDUSSCGKSA-N 0 3 275.371 2.470 20 30 CEEDHN Cc1cnn([C@@H]2CCN(C[C@H](O)c3ccc(C#N)cc3)C2)c1 ZINC000290082796 376635526 /nfs/dbraw/zinc/63/55/26/376635526.db2.gz ZBWRLTHZPKNVSS-SJORKVTESA-N 0 3 296.374 2.044 20 30 CEEDHN CCC[C@@H]1CNCCN1c1nccc(C#N)c1Cl ZINC000420229947 376636331 /nfs/dbraw/zinc/63/63/31/376636331.db2.gz HWSWKRAGRHYHHG-LLVKDONJSA-N 0 3 264.760 2.185 20 30 CEEDHN C=CCC[C@H](CO)NCc1cnn(Cc2ccccc2)c1 ZINC000320614780 376824788 /nfs/dbraw/zinc/82/47/88/376824788.db2.gz HHWLRBBUWGRYEE-QGZVFWFLSA-N 0 3 285.391 2.348 20 30 CEEDHN CC(=O)Nc1ccn([C@@H]2CCN(CC3=CCCOC3)C2)n1 ZINC000328646023 376869752 /nfs/dbraw/zinc/86/97/52/376869752.db2.gz ZXUBPOYQIVSHHR-CQSZACIVSA-N 0 3 290.367 2.085 20 30 CEEDHN COc1ccc(CC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)nc1 ZINC000328878544 376914666 /nfs/dbraw/zinc/91/46/66/376914666.db2.gz UPYWMEJMZPDEGQ-XHDPSFHLSA-N 0 3 289.379 2.072 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnnn1Cc1ccccc1 ZINC000562520707 376916785 /nfs/dbraw/zinc/91/67/85/376916785.db2.gz MMTGNQXEQJJPTL-SJORKVTESA-N 0 3 298.390 2.150 20 30 CEEDHN COc1cc(CNC[C@@](C)(OC)C2CC2)ccc1C#N ZINC000290994835 377021972 /nfs/dbraw/zinc/02/19/72/377021972.db2.gz AOAJXARVEJRDNU-MRXNPFEDSA-N 0 3 274.364 2.472 20 30 CEEDHN CC[C@H](C)CN(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000264717639 190130843 /nfs/dbraw/zinc/13/08/43/190130843.db2.gz MKOKQTOMNJGIGX-ZDUSSCGKSA-N 0 3 273.380 2.152 20 30 CEEDHN C[C@H]1CN(c2ncc3c(c2C#N)CCC3)CCN(C2CC2)C1 ZINC000425266111 377337683 /nfs/dbraw/zinc/33/76/83/377337683.db2.gz GWADNTRGLNMKGR-CYBMUJFWSA-N 0 3 296.418 2.362 20 30 CEEDHN C=CCC1(C(=O)N(C)CC2CCN(C)CC2)CCOCC1 ZINC000424651997 377280259 /nfs/dbraw/zinc/28/02/59/377280259.db2.gz VVYHHGYUWIBDDK-UHFFFAOYSA-N 0 3 294.439 2.160 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000424759856 377291148 /nfs/dbraw/zinc/29/11/48/377291148.db2.gz WOGFDQBUSNSZFM-VXGBXAGGSA-N 0 3 270.442 2.093 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2CCCN(C(C)C)C2)CCOCC1 ZINC000424782937 377295306 /nfs/dbraw/zinc/29/53/06/377295306.db2.gz PIPHZXCNIBNNDW-OAHLLOKOSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCN(C)CCCNc1ncccc1C(F)(F)F ZINC000292826479 377301032 /nfs/dbraw/zinc/30/10/32/377301032.db2.gz PIDGOFOIPBCKKA-UHFFFAOYSA-N 0 3 271.286 2.467 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000426066822 377392469 /nfs/dbraw/zinc/39/24/69/377392469.db2.gz MPENKOLZBOADHF-BFHYXJOUSA-N 0 3 265.401 2.219 20 30 CEEDHN C#CCCNC(=O)NC[C@@H](C(C)C)N(CC=C)CC=C ZINC000264960580 190147411 /nfs/dbraw/zinc/14/74/11/190147411.db2.gz APVZSNMKEBEJGC-HNNXBMFYSA-N 0 3 277.412 2.008 20 30 CEEDHN CC(C)(C#N)CCCN1CCC[C@@H](n2ccnn2)C1 ZINC000425504801 377352561 /nfs/dbraw/zinc/35/25/61/377352561.db2.gz XIQZRAUPJWUTDU-CYBMUJFWSA-N 0 3 261.373 2.245 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000331431927 377427957 /nfs/dbraw/zinc/42/79/57/377427957.db2.gz RKFBWFCNFBCXHS-MQIPJXDCSA-N 0 3 292.379 2.116 20 30 CEEDHN C=CCNC(=O)CN1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000293207190 377470928 /nfs/dbraw/zinc/47/09/28/377470928.db2.gz GCQZBILMZLLABO-MRXNPFEDSA-N 0 3 272.392 2.341 20 30 CEEDHN N#CCCCOc1cccc(CN[C@@H](CO)CC(F)F)c1 ZINC000428654206 377498213 /nfs/dbraw/zinc/49/82/13/377498213.db2.gz YDPAUAQAJGFWHP-CYBMUJFWSA-N 0 3 298.333 2.475 20 30 CEEDHN C[C@@H](CNC(=O)NCC1(CC#N)CC1)N1CCC[C@H](C)C1 ZINC000430175622 377525716 /nfs/dbraw/zinc/52/57/16/377525716.db2.gz FLJUNJPDIDSLKB-KBPBESRZSA-N 0 3 292.427 2.100 20 30 CEEDHN C=CCN(C)CCN(CC)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000429704872 377519769 /nfs/dbraw/zinc/51/97/69/377519769.db2.gz XPEDHQDESMSFSS-IYBDPMFKSA-N 0 3 295.471 2.216 20 30 CEEDHN CN(Cc1cnc2c(C#N)cnn2c1)C1(C)CCCC1 ZINC000564987108 377523088 /nfs/dbraw/zinc/52/30/88/377523088.db2.gz YYBKOCZMMKIMRO-UHFFFAOYSA-N 0 3 269.352 2.365 20 30 CEEDHN C[C@H]1C[C@@H]1N1CCN(Cc2nc(C#N)cs2)C[C@@H](C)C1 ZINC000430173040 377526036 /nfs/dbraw/zinc/52/60/36/377526036.db2.gz XTKBVTGJNQZTGW-DYEKYZERSA-N 0 3 290.436 2.177 20 30 CEEDHN C[C@@H](CNC(=O)NCC1(CC#N)CC1)N1CCC[C@@H](C)C1 ZINC000430175623 377526314 /nfs/dbraw/zinc/52/63/14/377526314.db2.gz FLJUNJPDIDSLKB-KGLIPLIRSA-N 0 3 292.427 2.100 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000265659936 190197956 /nfs/dbraw/zinc/19/79/56/190197956.db2.gz XDLQYRARVNMQGJ-KCQAQPDRSA-N 0 3 288.366 2.141 20 30 CEEDHN CC(C#N)C(=O)N1CC(OCCCc2ccccc2)C1 ZINC000431713929 377671724 /nfs/dbraw/zinc/67/17/24/377671724.db2.gz DXGMPZSUVKUUHP-ZDUSSCGKSA-N 0 3 272.348 2.006 20 30 CEEDHN COC[C@@H](C)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433301240 377785519 /nfs/dbraw/zinc/78/55/19/377785519.db2.gz GDPIWFCPLODHFP-HIFRSBDPSA-N 0 3 274.364 2.252 20 30 CEEDHN N#CC1CCC(CNC(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000333045441 377747317 /nfs/dbraw/zinc/74/73/17/377747317.db2.gz FZTJAKFCVASIJK-ZBCRRDGASA-N 0 3 289.423 2.307 20 30 CEEDHN CC(C)(CCC#N)CN1CC[C@@H](Nc2ncccn2)C1 ZINC000566248136 377748182 /nfs/dbraw/zinc/74/81/82/377748182.db2.gz PDAYTBGWVJDOEI-CYBMUJFWSA-N 0 3 273.384 2.293 20 30 CEEDHN C=CC[C@H](CO)CNCc1ccc(OC)cc1F ZINC000566682933 377765767 /nfs/dbraw/zinc/76/57/67/377765767.db2.gz VHWMRGCJRZZWAK-NSHDSACASA-N 0 3 253.317 2.109 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)CCCOC(C)C ZINC000265896124 190216073 /nfs/dbraw/zinc/21/60/73/190216073.db2.gz STLOOQVUCKQFDL-HNNXBMFYSA-N 0 3 282.428 2.322 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](O)C23CCCC3)s1 ZINC000293934798 377833160 /nfs/dbraw/zinc/83/31/60/377833160.db2.gz NSPGLRCOFFMFAS-ZDUSSCGKSA-N 0 3 262.378 2.499 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)NCCN1CCCC[C@@H]1C ZINC000437603474 377855115 /nfs/dbraw/zinc/85/51/15/377855115.db2.gz OGJRFUGGXWBMQD-GOEBONIOSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCN1CCC(NC(=O)C(C)(C)C(C)C)CC1 ZINC000439540521 377928092 /nfs/dbraw/zinc/92/80/92/377928092.db2.gz IHNJOOJNBCHZBA-UHFFFAOYSA-N 0 3 252.402 2.435 20 30 CEEDHN COc1cc(NCCN[C@H]2CC[C@@H](C#N)C2)cc(OC)c1 ZINC000442841096 378006437 /nfs/dbraw/zinc/00/64/37/378006437.db2.gz FMXIXOLQULTNKN-OLZOCXBDSA-N 0 3 289.379 2.398 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2ccc(CN3CCOCC3)cc2)C1 ZINC000442641224 377973855 /nfs/dbraw/zinc/97/38/55/377973855.db2.gz CWHLABSKPRLWRY-MSOLQXFVSA-N 0 3 299.418 2.301 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCCOc2ccc3c(c2)OCO3)C1 ZINC000442710465 377983923 /nfs/dbraw/zinc/98/39/23/377983923.db2.gz CDTALQJUFWNLKH-NEPJUHHUSA-N 0 3 274.320 2.076 20 30 CEEDHN COc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1NC(C)=O ZINC000442788170 377995501 /nfs/dbraw/zinc/99/55/01/377995501.db2.gz XYOOGWATWZCXLQ-JSGCOSHPSA-N 0 3 287.363 2.435 20 30 CEEDHN C#CCN(C)CCCN[C@@H](C)c1ccccc1OC ZINC000295092746 378040592 /nfs/dbraw/zinc/04/05/92/378040592.db2.gz UZJOSGBHAKWHKD-AWEZNQCLSA-N 0 3 260.381 2.301 20 30 CEEDHN C=CCN1CCC(NCc2cc(F)ncc2F)CC1 ZINC000295151193 378044763 /nfs/dbraw/zinc/04/47/63/378044763.db2.gz JOHKFABSEFKONZ-UHFFFAOYSA-N 0 3 267.323 2.100 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN2CCC(CF)CC2)cc1 ZINC000295219482 378054785 /nfs/dbraw/zinc/05/47/85/378054785.db2.gz XOTGALIRVMGWRJ-HNNXBMFYSA-N 0 3 262.328 2.273 20 30 CEEDHN C=C(C)CN(CC)C(=O)NCC1(N(C)C)CCC1 ZINC000446611876 378085967 /nfs/dbraw/zinc/08/59/67/378085967.db2.gz AMAHIKJXBWUODO-UHFFFAOYSA-N 0 3 253.390 2.078 20 30 CEEDHN CC(C)[C@@H]1CCCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000444753153 378079728 /nfs/dbraw/zinc/07/97/28/378079728.db2.gz MCMXZZPEIUSBHI-ZIAGYGMSSA-N 0 3 265.401 2.115 20 30 CEEDHN C=CC[C@H]1N(CCCS(C)(=O)=O)CCCC1(C)C ZINC000444784773 378080523 /nfs/dbraw/zinc/08/05/23/378080523.db2.gz WMYLFNQMULNKBM-CYBMUJFWSA-N 0 3 273.442 2.488 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cncc(Br)c1 ZINC000449517101 378215141 /nfs/dbraw/zinc/21/51/41/378215141.db2.gz DREIMFBYMRDPIN-NEPJUHHUSA-N 0 3 283.169 2.277 20 30 CEEDHN CO[C@H](Cc1ccccc1)CN1CCC(C#N)CC1 ZINC000450321139 378353373 /nfs/dbraw/zinc/35/33/73/378353373.db2.gz YZOOAAAEVBGUTB-MRXNPFEDSA-N 0 3 258.365 2.480 20 30 CEEDHN C[C@H]1[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])CCCN1C ZINC000450433218 378414832 /nfs/dbraw/zinc/41/48/32/378414832.db2.gz DLPSMODADGXQOZ-CMPLNLGQSA-N 0 3 274.324 2.361 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCc2cc(C)ccc21 ZINC000296496815 378553584 /nfs/dbraw/zinc/55/35/84/378553584.db2.gz XXNALOIQYUOATQ-KRWDZBQOSA-N 0 3 299.418 2.237 20 30 CEEDHN C#Cc1ccc(CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000296513768 378559101 /nfs/dbraw/zinc/55/91/01/378559101.db2.gz QSFIHFUOJHITKZ-XJKSGUPXSA-N 0 3 297.402 2.092 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@H](C)c1ccccc1 ZINC000296719439 378628349 /nfs/dbraw/zinc/62/83/49/378628349.db2.gz SDFVLBLHNHXIPR-HNNXBMFYSA-N 0 3 287.407 2.044 20 30 CEEDHN COc1ccc(CNC[C@H](O)c2ccc(C)o2)cc1C#N ZINC000266150684 190234787 /nfs/dbraw/zinc/23/47/87/190234787.db2.gz KGJSUSWWGFIZKR-AWEZNQCLSA-N 0 3 286.331 2.292 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(F)ncc1F ZINC000296965781 378659651 /nfs/dbraw/zinc/65/96/51/378659651.db2.gz UOJFBHAJGIUHAC-QMTHXVAHSA-N 0 3 268.307 2.431 20 30 CEEDHN CC#CCN(C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000297114162 378664284 /nfs/dbraw/zinc/66/42/84/378664284.db2.gz FYZGKXAWWVSBCX-OAHLLOKOSA-N 0 3 287.407 2.172 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1c2ccccc2C[C@H]1C ZINC000297177625 378668864 /nfs/dbraw/zinc/66/88/64/378668864.db2.gz BDOMUADRYKQWRC-CQSZACIVSA-N 0 3 285.391 2.102 20 30 CEEDHN C#C[C@H](C)NCc1ccccc1N1CCO[C@H](C)C1 ZINC000298214671 378694572 /nfs/dbraw/zinc/69/45/72/378694572.db2.gz ZKXFWYONWIIYAB-UONOGXRCSA-N 0 3 258.365 2.023 20 30 CEEDHN C[C@H](CN1CCC[C@@H](C)C1)Nc1ncccc1C#N ZINC000299068602 378890418 /nfs/dbraw/zinc/89/04/18/378890418.db2.gz APYRQYAWEDCGGO-CHWSQXEVSA-N 0 3 258.369 2.486 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCC(n2c(C)ccc2C)CC1 ZINC000299506783 379025489 /nfs/dbraw/zinc/02/54/89/379025489.db2.gz IVNQAQXFCRTEQY-OAHLLOKOSA-N 0 3 289.423 2.433 20 30 CEEDHN CCN1CCCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000299620683 379076448 /nfs/dbraw/zinc/07/64/48/379076448.db2.gz LIAHKVPYHFXGBS-UHFFFAOYSA-N 0 3 272.352 2.118 20 30 CEEDHN Cc1nnc(NC(=O)C(C#N)c2nc(C)c(C)s2)s1 ZINC000505450185 379078791 /nfs/dbraw/zinc/07/87/91/379078791.db2.gz ZDOPZNXNEHLXHR-QMMMGPOBSA-N 0 3 293.377 2.166 20 30 CEEDHN CC1(C#N)CN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000520490781 379476595 /nfs/dbraw/zinc/47/65/95/379476595.db2.gz XJUALHGRTJKBGK-KRWDZBQOSA-N 0 3 299.418 2.123 20 30 CEEDHN C=CCC[C@@H](CO)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000456771190 379548773 /nfs/dbraw/zinc/54/87/73/379548773.db2.gz UMMLFIGGJBFWLA-GOEBONIOSA-N 0 3 294.439 2.227 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(CCC(C)(C)C)CC1 ZINC000305096033 379633738 /nfs/dbraw/zinc/63/37/38/379633738.db2.gz SMJDXVNDUCGDAC-OAHLLOKOSA-N 0 3 268.445 2.367 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(Cc2ccccc2)CC1 ZINC000305078895 379626378 /nfs/dbraw/zinc/62/63/78/379626378.db2.gz LWYSWULCHAZDQT-QGZVFWFLSA-N 0 3 274.408 2.131 20 30 CEEDHN C=CCN1CC[C@@H](N(C)CC2CC(C)(C)C2)C1=O ZINC000528494652 379987125 /nfs/dbraw/zinc/98/71/25/379987125.db2.gz KHUNPQZHORNJST-CYBMUJFWSA-N 0 3 250.386 2.141 20 30 CEEDHN CC(C)(C#N)CCCN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528789082 380098636 /nfs/dbraw/zinc/09/86/36/380098636.db2.gz SHJXNMQORZISAV-FHSNZYRGSA-N 0 3 268.426 2.302 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C/c1cccc(C#N)c1 ZINC000268137278 190379847 /nfs/dbraw/zinc/37/98/47/190379847.db2.gz CPTCZOODXPJUEU-HHKHWZMTSA-N 0 3 295.386 2.170 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000530053424 380193811 /nfs/dbraw/zinc/19/38/11/380193811.db2.gz LQSGXLDMTNQZBM-PDTKXNIZSA-N 0 3 260.724 2.254 20 30 CEEDHN Cc1ccnc(N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000268294496 190393770 /nfs/dbraw/zinc/39/37/70/190393770.db2.gz FNSMOSZZVORMSP-UHFFFAOYSA-N 0 3 295.390 2.225 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000489053069 380158615 /nfs/dbraw/zinc/15/86/15/380158615.db2.gz VGIHCHRSQBFXBA-UONOGXRCSA-N 0 3 275.396 2.133 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@@H]3C=CCCC3)n2c1 ZINC000334354328 380291197 /nfs/dbraw/zinc/29/11/97/380291197.db2.gz ZIMQCEWOOHMWSF-CYBMUJFWSA-N 0 3 252.321 2.404 20 30 CEEDHN C[C@@H](C(=O)N1CCC[C@H](N(C)C)C1)c1cccc(C#N)c1 ZINC000334389022 380343175 /nfs/dbraw/zinc/34/31/75/380343175.db2.gz RHKGRPKPSIDRRJ-CJNGLKHVSA-N 0 3 285.391 2.214 20 30 CEEDHN C[C@@H]1CCN(CCNC(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000491957125 380398841 /nfs/dbraw/zinc/39/88/41/380398841.db2.gz RPMSGUIZTJLAKC-GEXIGZQTSA-N 0 3 283.375 2.029 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000334473467 380461675 /nfs/dbraw/zinc/46/16/75/380461675.db2.gz LGLPIOBTLCNCQR-ZYHUDNBSSA-N 0 3 277.755 2.195 20 30 CEEDHN Cc1cc([C@@H](C)NC[C@H](O)CN(C)CCC#N)c(C)s1 ZINC000555880289 380854212 /nfs/dbraw/zinc/85/42/12/380854212.db2.gz JTWHOLDYRSAIMF-OCCSQVGLSA-N 0 3 295.452 2.222 20 30 CEEDHN N#Cc1ccc(F)c(CN[C@H]2CCC[C@@H]2CCO)c1 ZINC000279286056 194368697 /nfs/dbraw/zinc/36/86/97/194368697.db2.gz OZCQTDFXUWMZEJ-DOMZBBRYSA-N 0 3 262.328 2.338 20 30 CEEDHN N#Cc1ccc(F)c(CN[C@@H]2CCC[C@@H]2CCO)c1 ZINC000279286057 194369693 /nfs/dbraw/zinc/36/96/93/194369693.db2.gz OZCQTDFXUWMZEJ-IUODEOHRSA-N 0 3 262.328 2.338 20 30 CEEDHN CN(C)C/C=C/C(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000493760482 381144503 /nfs/dbraw/zinc/14/45/03/381144503.db2.gz VLDISUFLYBYUHV-JOZWUWCOSA-N 0 3 263.385 2.083 20 30 CEEDHN C=CCC[C@@H](O)CN(C)CCN(C)C(=O)OC(C)(C)C ZINC000494147615 381152746 /nfs/dbraw/zinc/15/27/46/381152746.db2.gz ATOONCTWWXHIHT-CYBMUJFWSA-N 0 3 286.416 2.112 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)CCN1C ZINC000334796344 207090782 /nfs/dbraw/zinc/09/07/82/207090782.db2.gz JFZJOHUEJXYDCW-MFKMUULPSA-N 0 3 291.782 2.424 20 30 CEEDHN CC(C#N)C(=O)N1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000495576169 381178220 /nfs/dbraw/zinc/17/82/20/381178220.db2.gz YYGGCOCFDIEIFC-UTUOFQBUSA-N 0 3 295.383 2.002 20 30 CEEDHN CN(CCN[C@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000495860365 381187995 /nfs/dbraw/zinc/18/79/95/381187995.db2.gz ZHQKIFOJBFHGOB-NEPJUHHUSA-N 0 3 267.373 2.135 20 30 CEEDHN CC(CCCCNC(=O)OC(C)(C)C)=Nn1cnnc1 ZINC000496321574 381208606 /nfs/dbraw/zinc/20/86/06/381208606.db2.gz HYOKIRXVFPSSDK-UHFFFAOYSA-N 0 3 281.360 2.197 20 30 CEEDHN CN(CCNC(=O)OC(C)(C)C)[C@H]1CC[C@@H](C#N)C1 ZINC000496401984 381212444 /nfs/dbraw/zinc/21/24/44/381212444.db2.gz VOTTXDBZXPIWPO-NEPJUHHUSA-N 0 3 267.373 2.135 20 30 CEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000496600078 381220807 /nfs/dbraw/zinc/22/08/07/381220807.db2.gz LTSTXDQFMJCAGU-CYBMUJFWSA-N 0 3 284.400 2.178 20 30 CEEDHN COCCO[C@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000189669479 285114210 /nfs/dbraw/zinc/11/42/10/285114210.db2.gz LEIWBNNHJDJCBD-BBRMVZONSA-N 0 3 274.364 2.357 20 30 CEEDHN CC(C#N)C(=O)N(CCC(F)(F)F)CC(F)(F)F ZINC000344709955 533108410 /nfs/dbraw/zinc/10/84/10/533108410.db2.gz SXBGAVCBDVHPLX-LURJTMIESA-N 0 3 276.180 2.489 20 30 CEEDHN Cc1nsc(NCC23CCCN2CCC3)c1C#N ZINC000288546694 197109774 /nfs/dbraw/zinc/10/97/74/197109774.db2.gz YISSJHIULZVLKT-UHFFFAOYSA-N 0 3 262.382 2.364 20 30 CEEDHN CCN1CCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000335846821 285208167 /nfs/dbraw/zinc/20/81/67/285208167.db2.gz GQBSUCCOYCFZKB-UHFFFAOYSA-N 0 3 297.402 2.144 20 30 CEEDHN COC(=O)CC1(CNC2(c3cccc(C#N)c3)CC2)CC1 ZINC000281622336 195312066 /nfs/dbraw/zinc/31/20/66/195312066.db2.gz KLMDMKKYYDNUDM-UHFFFAOYSA-N 0 3 284.359 2.480 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000347755951 533237239 /nfs/dbraw/zinc/23/72/39/533237239.db2.gz QQKVRXUOTJKYIO-NWDGAFQWSA-N 0 3 268.320 2.209 20 30 CEEDHN C[C@@H]1CCCC[C@H]1N(C)CC(=O)NC1(C#N)CCC1 ZINC000347226170 533607466 /nfs/dbraw/zinc/60/74/66/533607466.db2.gz MGHWBZRFHFUGPO-CHWSQXEVSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCN1CCC(Nc2ccc(C(=O)OC)c(C)n2)CC1 ZINC000301836053 394465596 /nfs/dbraw/zinc/46/55/96/394465596.db2.gz WYHHHYXHTJEFLW-UHFFFAOYSA-N 0 3 289.379 2.239 20 30 CEEDHN CN1CCC(Nc2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000413031038 394468536 /nfs/dbraw/zinc/46/85/36/394468536.db2.gz IFYPSMNPOQPMPJ-UHFFFAOYSA-N 0 3 284.285 2.478 20 30 CEEDHN C=CCCCCCN(C)C(=O)C[C@H]1CSCCN1 ZINC000237044273 394489809 /nfs/dbraw/zinc/48/98/09/394489809.db2.gz AYIGCBSGYKRFDD-ZDUSSCGKSA-N 0 3 270.442 2.286 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@]1(C)CCO[C@@H]1C ZINC000329306105 394561706 /nfs/dbraw/zinc/56/17/06/394561706.db2.gz AZAUPYUXUYDTHB-HLPPOEQASA-N 0 3 297.443 2.178 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](c2ccccc2)C1 ZINC000250207365 394562362 /nfs/dbraw/zinc/56/23/62/394562362.db2.gz KHVIPEPDXZOIJF-GDBMZVCRSA-N 0 3 285.391 2.236 20 30 CEEDHN O=C(CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1CCCC1 ZINC000329421132 394563077 /nfs/dbraw/zinc/56/30/77/394563077.db2.gz HBLANZQHNFTSGY-NWANDNLSSA-N 0 3 278.396 2.433 20 30 CEEDHN CCOc1cccnc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329535099 394570594 /nfs/dbraw/zinc/57/05/94/394570594.db2.gz ZCASWXVHHAKJME-LBPRGKRZSA-N 0 3 289.379 2.435 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)/C=C\c2cccc(C#N)c2)CN1C1CC1 ZINC000255507306 394580461 /nfs/dbraw/zinc/58/04/61/394580461.db2.gz RMQUWKUZEHRBQX-CPZUFKQWSA-N 0 3 295.386 2.313 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)CCc2ccncn2)C1 ZINC000329916091 394594222 /nfs/dbraw/zinc/59/42/22/394594222.db2.gz QBZZDTJOTGNYGP-UHFFFAOYSA-N 0 3 290.411 2.488 20 30 CEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC000329787545 394585266 /nfs/dbraw/zinc/58/52/66/394585266.db2.gz YVCAZWMMGUGFBD-WOPDTQHZSA-N 0 3 267.373 2.038 20 30 CEEDHN CCN1CCC(NC(=O)[C@@H]2CCCc3nn(C)cc32)CC1 ZINC000329808391 394587162 /nfs/dbraw/zinc/58/71/62/394587162.db2.gz APTOQNHHZVDHDI-CYBMUJFWSA-N 0 3 290.411 2.281 20 30 CEEDHN CCN1CCC(NC(=O)c2snnc2C2CC2)CC1 ZINC000329859691 394590367 /nfs/dbraw/zinc/59/03/67/394590367.db2.gz WVMVCJAUPKQVKZ-UHFFFAOYSA-N 0 3 280.397 2.204 20 30 CEEDHN C=CCC[C@H](CO)NCc1cncc(Br)c1 ZINC000320294407 394545720 /nfs/dbraw/zinc/54/57/20/394545720.db2.gz RKQQLCCOJYUUMA-GFCCVEGCSA-N 0 3 285.185 2.261 20 30 CEEDHN C=CCOc1ccccc1CN1CCCC[C@@H]1CC(N)=O ZINC000092588642 394661052 /nfs/dbraw/zinc/66/10/52/394661052.db2.gz RNVWVYLCLKRXCT-OAHLLOKOSA-N 0 3 288.391 2.481 20 30 CEEDHN CN1CCC[C@@H]1CNC(=O)Nc1ccnn1C(C)(C)C ZINC000330098978 394599008 /nfs/dbraw/zinc/59/90/08/394599008.db2.gz 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/nfs/dbraw/zinc/68/53/62/394685362.db2.gz JLLKSCCEPFWGAW-AWEZNQCLSA-N 0 3 277.412 2.363 20 30 CEEDHN CN(C)C[C@H]1CCCN1c1ncc(C#N)cc1Cl ZINC000268166858 394690525 /nfs/dbraw/zinc/69/05/25/394690525.db2.gz KGIANBFCGMROPN-LLVKDONJSA-N 0 3 264.760 2.137 20 30 CEEDHN C[C@@H]1[C@@H](C)N(Cc2cc(F)ccc2C#N)CCN1C ZINC000357049562 394693543 /nfs/dbraw/zinc/69/35/43/394693543.db2.gz XSEVGDCWEQZTHH-VXGBXAGGSA-N 0 3 261.344 2.222 20 30 CEEDHN Cc1cc(C(C#N)C(=O)NC2CCCCC2)nc(C)n1 ZINC000271599685 394759311 /nfs/dbraw/zinc/75/93/11/394759311.db2.gz HRPGYDAPHATMBY-ZDUSSCGKSA-N 0 3 272.352 2.150 20 30 CEEDHN CC1(C)CCCN[C@H]1C(=O)N1CCC(CCC#N)CC1 ZINC000335420573 394765066 /nfs/dbraw/zinc/76/50/66/394765066.db2.gz YZDCRTNVCWUDNO-AWEZNQCLSA-N 0 3 277.412 2.307 20 30 CEEDHN OC[C@H](NCC#Cc1ccc(Cl)cc1)C1CCOCC1 ZINC000359874100 394778919 /nfs/dbraw/zinc/77/89/19/394778919.db2.gz MCPDEJSBEPCKRM-INIZCTEOSA-N 0 3 293.794 2.069 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)[C@H](C)COC)CC1 ZINC000360175585 394792192 /nfs/dbraw/zinc/79/21/92/394792192.db2.gz LTHQYQDJRUCHBB-KGLIPLIRSA-N 0 3 282.428 2.062 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000335906920 394810017 /nfs/dbraw/zinc/81/00/17/394810017.db2.gz KYMKQQDKINYNGL-JQWIXIFHSA-N 0 3 277.755 2.195 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000336170202 394830897 /nfs/dbraw/zinc/83/08/97/394830897.db2.gz YGVHJBGMKKQREQ-DYVFJYSZSA-N 0 3 283.375 2.221 20 30 CEEDHN C[C@@]1(F)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000336408803 394852324 /nfs/dbraw/zinc/85/23/24/394852324.db2.gz CZFKTAYZBMPPKF-GOEBONIOSA-N 0 3 285.322 2.201 20 30 CEEDHN CC(C)(CNC(=O)NCC1(CC#N)CC1)N1CCCCC1 ZINC000362345775 394855197 /nfs/dbraw/zinc/85/51/97/394855197.db2.gz IFPUBUZQZTXHBY-UHFFFAOYSA-N 0 3 292.427 2.244 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@H](C)[C@H](C)C1 ZINC000362428967 394860985 /nfs/dbraw/zinc/86/09/85/394860985.db2.gz DQPMIPNIIFLBMS-HZSPNIEDSA-N 0 3 277.412 2.305 20 30 CEEDHN CCSCC[C@@H](C)N(C)CC(=O)N(CC)C[C@H](C)C#N 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ZINC000338997522 394935262 /nfs/dbraw/zinc/93/52/62/394935262.db2.gz NTRIACCYQZAKFF-MRXNPFEDSA-N 0 3 274.364 2.460 20 30 CEEDHN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)CCOCCC#N ZINC000339039821 394938329 /nfs/dbraw/zinc/93/83/29/394938329.db2.gz GVENYEKBCOTTPW-XJKSGUPXSA-N 0 3 274.364 2.241 20 30 CEEDHN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)CCOCCC#N ZINC000339039818 394938578 /nfs/dbraw/zinc/93/85/78/394938578.db2.gz GVENYEKBCOTTPW-BBRMVZONSA-N 0 3 274.364 2.241 20 30 CEEDHN C=CCN1CCC(NCc2cn3cc(C)ccc3n2)CC1 ZINC000284055361 394940605 /nfs/dbraw/zinc/94/06/05/394940605.db2.gz SSEBZAUSBBTYPE-UHFFFAOYSA-N 0 3 284.407 2.383 20 30 CEEDHN CC[C@H](NCCOCCC#N)c1c(C)noc1C ZINC000339085637 394941750 /nfs/dbraw/zinc/94/17/50/394941750.db2.gz SCMWXKLHPKIXQO-LBPRGKRZSA-N 0 3 251.330 2.262 20 30 CEEDHN CN(C)c1noc([C@@H]2CCCN([C@@H]3CC[C@@H](C#N)C3)C2)n1 ZINC000339158591 394946492 /nfs/dbraw/zinc/94/64/92/394946492.db2.gz NDKYYXHTYPSMKG-JHJVBQTASA-N 0 3 289.383 2.007 20 30 CEEDHN CC1(C)CN([C@@H]2CC[C@@H](C#N)C2)C[C@@]2(CCCOC2)O1 ZINC000339150319 394946897 /nfs/dbraw/zinc/94/68/97/394946897.db2.gz VIJLPTJBBPDJMF-IIAWOOMASA-N 0 3 278.396 2.339 20 30 CEEDHN COC(=O)[C@]1(c2ccccc2)CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000339210597 394952664 /nfs/dbraw/zinc/95/26/64/394952664.db2.gz NAWIMTBXGALTBQ-QILLFSRXSA-N 0 3 298.386 2.495 20 30 CEEDHN CC[C@@H](c1ccccc1)N(CC)CC(=O)NCC#N ZINC000343037860 395030323 /nfs/dbraw/zinc/03/03/23/395030323.db2.gz OKKBPYOHAKGAFA-AWEZNQCLSA-N 0 3 259.353 2.099 20 30 CEEDHN C=CCCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000154626422 395023436 /nfs/dbraw/zinc/02/34/36/395023436.db2.gz JTGXIODZBRYXRU-UHFFFAOYSA-N 0 3 250.386 2.430 20 30 CEEDHN CC(C)[C@@H](C#N)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416162243 395024787 /nfs/dbraw/zinc/02/47/87/395024787.db2.gz UKVOFIALBJXAAM-CABCVRRESA-N 0 3 273.380 2.344 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21)OCC ZINC000339512516 394962864 /nfs/dbraw/zinc/96/28/64/394962864.db2.gz BAIOKRXCJOVWFF-JYJNAYRXSA-N 0 3 294.439 2.300 20 30 CEEDHN N#CCCN(CC1CC1)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415885919 394971967 /nfs/dbraw/zinc/97/19/67/394971967.db2.gz SYDLSBQDLCULPC-UHFFFAOYSA-N 0 3 298.390 2.490 20 30 CEEDHN COc1ccc(NC(=O)CCN2CCC(C#N)CC2)cc1 ZINC000141935122 394972479 /nfs/dbraw/zinc/97/24/79/394972479.db2.gz CDUHEXPLEQRCHP-UHFFFAOYSA-N 0 3 287.363 2.259 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@H]2COc3ccc(F)cc3C2)C1 ZINC000343918613 395046419 /nfs/dbraw/zinc/04/64/19/395046419.db2.gz BIAJPSPUUNSZJV-DDTOSNHZSA-N 0 3 260.312 2.411 20 30 CEEDHN C#CCCCC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000290348888 395099772 /nfs/dbraw/zinc/09/97/72/395099772.db2.gz FWZVXZUGPOGLTL-OAHLLOKOSA-N 0 3 276.355 2.348 20 30 CEEDHN CN(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)C(C)(C)C#N ZINC000373098713 395054190 /nfs/dbraw/zinc/05/41/90/395054190.db2.gz IETSFAVWBKJWKY-LSDHHAIUSA-N 0 3 285.391 2.270 20 30 CEEDHN C=CCOc1cccc(NC(=O)[C@H](N)CC(F)F)c1 ZINC000345730247 395074360 /nfs/dbraw/zinc/07/43/60/395074360.db2.gz XBTPKXAWFAENAE-LLVKDONJSA-N 0 3 270.279 2.172 20 30 CEEDHN CC(C#N)C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000345755699 395075548 /nfs/dbraw/zinc/07/55/48/395075548.db2.gz GCZJOCXYEWEZDV-QMMMGPOBSA-N 0 3 251.355 2.216 20 30 CEEDHN CC(C#N)C(=O)NCc1cccc(OCC(F)F)c1 ZINC000345771781 395075960 /nfs/dbraw/zinc/07/59/60/395075960.db2.gz XBESPSGIXZSXDQ-SECBINFHSA-N 0 3 268.263 2.106 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(OC2CCCC2)nc1 ZINC000345785908 395077135 /nfs/dbraw/zinc/07/71/35/395077135.db2.gz PPFVJKDWXJCNSA-LLVKDONJSA-N 0 3 273.336 2.179 20 30 CEEDHN CC(C#N)C(=O)NCCOc1cccc(Br)c1 ZINC000345785888 395077560 /nfs/dbraw/zinc/07/75/60/395077560.db2.gz PMTQXYSMKXMVFA-SECBINFHSA-N 0 3 297.152 2.104 20 30 CEEDHN C[C@H](C#N)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000345798389 395078412 /nfs/dbraw/zinc/07/84/12/395078412.db2.gz NCMJFTIPQYRZHW-HIFRSBDPSA-N 0 3 271.364 2.099 20 30 CEEDHN C=CCOc1ccc(CN[C@H]2CCC[C@H]2C(=O)NC)cc1 ZINC000345822522 395079005 /nfs/dbraw/zinc/07/90/05/395079005.db2.gz VHNINSAFGHVUME-CVEARBPZSA-N 0 3 288.391 2.256 20 30 CEEDHN C[Si](C)(C)CN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000374378282 395081890 /nfs/dbraw/zinc/08/18/90/395081890.db2.gz BCRIIYGQNMQGLJ-WBMJQRKESA-N 0 3 299.450 2.209 20 30 CEEDHN C=CCC[C@H](O)CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289848028 395088896 /nfs/dbraw/zinc/08/88/96/395088896.db2.gz KNDFBKRRZLOWAC-OLZOCXBDSA-N 0 3 269.776 2.110 20 30 CEEDHN C[C@H](CN(C)C)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000346166676 395089413 /nfs/dbraw/zinc/08/94/13/395089413.db2.gz RZKAOCUCEQZNGF-GFCCVEGCSA-N 0 3 273.380 2.168 20 30 CEEDHN C=CCCC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346180432 395090133 /nfs/dbraw/zinc/09/01/33/395090133.db2.gz GWVNXOQEMCMHNT-MELADBBJSA-N 0 3 250.386 2.141 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccn(C)c2CC)CC1 ZINC000290143773 395095263 /nfs/dbraw/zinc/09/52/63/395095263.db2.gz BWHVXSIJINGNSF-UHFFFAOYSA-N 0 3 289.423 2.358 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(C)CC1 ZINC000287179830 395035303 /nfs/dbraw/zinc/03/53/03/395035303.db2.gz HIFAUDZIINHYDP-KRWDZBQOSA-N 0 3 284.403 2.079 20 30 CEEDHN CC[C@]1(C)CCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346407552 395098945 /nfs/dbraw/zinc/09/89/45/395098945.db2.gz FVNSXGCCLUGQNK-TZMCWYRMSA-N 0 3 263.385 2.059 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C ZINC000287326620 395038075 /nfs/dbraw/zinc/03/80/75/395038075.db2.gz OCIFGBMRCWFWFE-SJORKVTESA-N 0 3 286.419 2.323 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C3CC3)C2)CC1 ZINC000372310897 395039606 /nfs/dbraw/zinc/03/96/06/395039606.db2.gz GJPIMKUVKXTKKF-OAHLLOKOSA-N 0 3 291.439 2.468 20 30 CEEDHN CN1CCC(CC(=O)N[C@@H](C#N)C2CCCCC2)CC1 ZINC000346944027 395115273 /nfs/dbraw/zinc/11/52/73/395115273.db2.gz MOXQJPPMICBWEE-HNNXBMFYSA-N 0 3 277.412 2.307 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN1CCCC(C)(C)C1 ZINC000347415377 395122923 /nfs/dbraw/zinc/12/29/23/395122923.db2.gz BDCYDZZHLXJVAY-GJZGRUSLSA-N 0 3 294.439 2.206 20 30 CEEDHN C=CC[C@H](CO)N[C@@H]1CCc2c1ccc(OC)c2F ZINC000290467591 395104275 /nfs/dbraw/zinc/10/42/75/395104275.db2.gz 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/nfs/dbraw/zinc/16/08/11/395160811.db2.gz JZIVENQECVJFIC-KGLIPLIRSA-N 0 3 278.396 2.341 20 30 CEEDHN CN1CC[C@@]2(CCN(C(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000291793394 395161977 /nfs/dbraw/zinc/16/19/77/395161977.db2.gz PBJDETRETDEAHF-MRXNPFEDSA-N 0 3 284.363 2.118 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)CN(C)CCC ZINC000348952387 395155527 /nfs/dbraw/zinc/15/55/27/395155527.db2.gz VPBSYSPPPNYUHG-UHFFFAOYSA-N 0 3 276.380 2.209 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000350088097 395180983 /nfs/dbraw/zinc/18/09/83/395180983.db2.gz UXXFRTTXWPLYML-HLPPOEQASA-N 0 3 279.428 2.409 20 30 CEEDHN C=CCc1cc(CN2CC[C@H](C)[C@H](O)C2)cc(OC)c1O ZINC000349366597 395166947 /nfs/dbraw/zinc/16/69/47/395166947.db2.gz JUMJXTXTDKUUTK-SWLSCSKDSA-N 0 3 291.391 2.332 20 30 CEEDHN C=CCN(CC)C[C@@H](O)COc1ccc(CCOC)cc1 ZINC000293293362 395227573 /nfs/dbraw/zinc/22/75/73/395227573.db2.gz ZBHYBBIXHUPQLE-MRXNPFEDSA-N 0 3 293.407 2.123 20 30 CEEDHN C=C(C)CN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000352447514 395254116 /nfs/dbraw/zinc/25/41/16/395254116.db2.gz BCFBTTAGPLWBKF-NSHDSACASA-N 0 3 278.318 2.343 20 30 CEEDHN C#CCNC(=O)CCN(C)Cc1cccc(OC(C)C)c1 ZINC000293726990 395249588 /nfs/dbraw/zinc/24/95/88/395249588.db2.gz GGGGCRMUMPYYFX-UHFFFAOYSA-N 0 3 288.391 2.045 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCCCN1CC ZINC000352392147 395250409 /nfs/dbraw/zinc/25/04/09/395250409.db2.gz RVOMLCXIPQWFGK-GDBMZVCRSA-N 0 3 282.428 2.206 20 30 CEEDHN C#CCN(C1CCCC1)[C@@H]1CCCN(C(C)C)C1=O ZINC000179303780 395189764 /nfs/dbraw/zinc/18/97/64/395189764.db2.gz ISRZMCAIWGBEFT-OAHLLOKOSA-N 0 3 262.397 2.264 20 30 CEEDHN CN1CC[C@@]2(CCN(c3c(F)cc(C#N)cc3F)C2)C1 ZINC000292326004 395192681 /nfs/dbraw/zinc/19/26/81/395192681.db2.gz OZYODVGUXANYNZ-OAHLLOKOSA-N 0 3 277.318 2.368 20 30 CEEDHN C=CCOCCN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000293809217 395251799 /nfs/dbraw/zinc/25/17/99/395251799.db2.gz OATXYZOBOGAXRT-ZDUSSCGKSA-N 0 3 276.384 2.064 20 30 CEEDHN C=CCOCCN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000293059317 395217944 /nfs/dbraw/zinc/21/79/44/395217944.db2.gz LALLUTLRTDHANQ-AWEZNQCLSA-N 0 3 286.379 2.111 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCCO[C@H](C(C)C)C1 ZINC000293118705 395219281 /nfs/dbraw/zinc/21/92/81/395219281.db2.gz MCRWINDPKSGSSY-CVEARBPZSA-N 0 3 294.439 2.322 20 30 CEEDHN COCCCCN(C)Cc1ccc(C#N)c(OC)c1 ZINC000397314189 395223225 /nfs/dbraw/zinc/22/32/25/395223225.db2.gz OZPZBHCZOILNJV-UHFFFAOYSA-N 0 3 262.353 2.425 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000527475133 395278023 /nfs/dbraw/zinc/27/80/23/395278023.db2.gz BXMVGTQJMIPGOG-JONQDZQNSA-N 0 3 279.343 2.155 20 30 CEEDHN COCC1=CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000185818997 395283863 /nfs/dbraw/zinc/28/38/63/395283863.db2.gz ZGAYSPDOMLGFLX-UHFFFAOYSA-N 0 3 299.374 2.165 20 30 CEEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1C#N ZINC000528481540 395290686 /nfs/dbraw/zinc/29/06/86/395290686.db2.gz XICATFYRGIUCMF-HZPDHXFCSA-N 0 3 286.375 2.338 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)c1c(F)cc(C#N)cc1F ZINC000186711126 395292753 /nfs/dbraw/zinc/29/27/53/395292753.db2.gz FGHGPTCGMIMXCA-UHFFFAOYSA-N 0 3 293.317 2.003 20 30 CEEDHN CC1(N2CCOCC2)CCN(Cc2cccc(C#N)c2)CC1 ZINC000528732210 395294091 /nfs/dbraw/zinc/29/40/91/395294091.db2.gz YHRRSNFQUZNVAH-UHFFFAOYSA-N 0 3 299.418 2.245 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@](C)(O)C(C)C)C(C)C ZINC000353312712 395294369 /nfs/dbraw/zinc/29/43/69/395294369.db2.gz KAEITBAZXDKZHO-NVXWUHKLSA-N 0 3 296.455 2.208 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000352457525 395255406 /nfs/dbraw/zinc/25/54/06/395255406.db2.gz WFSPEDYRZJXYDD-HIFRSBDPSA-N 0 3 252.402 2.389 20 30 CEEDHN CC#CCCN1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000352468223 395257035 /nfs/dbraw/zinc/25/70/35/395257035.db2.gz PSMBCVXGPRUOST-GFCCVEGCSA-N 0 3 290.329 2.180 20 30 CEEDHN CCOC(=O)CCCCCN1CCC(F)(C#N)CC1 ZINC000352459384 395257140 /nfs/dbraw/zinc/25/71/40/395257140.db2.gz XUIUZQZBSWPICT-UHFFFAOYSA-N 0 3 270.348 2.438 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(SC)ccc1C ZINC000293963046 395260447 /nfs/dbraw/zinc/26/04/47/395260447.db2.gz LICXKDLKKLRQJQ-UHFFFAOYSA-N 0 3 290.432 2.402 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000352502696 395260478 /nfs/dbraw/zinc/26/04/78/395260478.db2.gz XQRWWHZTNHYDQC-HLLBOEOZSA-N 0 3 296.455 2.452 20 30 CEEDHN CN(CC[C@@H]1CCCO1)Cc1cnc2ccc(C#N)cn12 ZINC000527215157 395277179 /nfs/dbraw/zinc/27/71/79/395277179.db2.gz BTPQJTLWKRWBCD-HNNXBMFYSA-N 0 3 284.363 2.207 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCS[C@@H](C)CC1 ZINC000192185716 395375780 /nfs/dbraw/zinc/37/57/80/395375780.db2.gz XNVWRKFDMQCXSZ-ZDUSSCGKSA-N 0 3 268.426 2.014 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCN1CCCC1=O ZINC000442695001 395390458 /nfs/dbraw/zinc/39/04/58/395390458.db2.gz VALBAYFCZWJYRI-ZDUSSCGKSA-N 0 3 271.364 2.173 20 30 CEEDHN C#CCCOc1ccc(CN2CC(C(C)(C)O)C2)cc1 ZINC000297496533 395343646 /nfs/dbraw/zinc/34/36/46/395343646.db2.gz VSIVQAFSBMEMGX-UHFFFAOYSA-N 0 3 273.376 2.291 20 30 CEEDHN CN(CCN1CCCC1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435006185 395344497 /nfs/dbraw/zinc/34/44/97/395344497.db2.gz WMRPBWIKYHJUNY-UHFFFAOYSA-N 0 3 297.402 2.144 20 30 CEEDHN CC#CCN[C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412015289 395344759 /nfs/dbraw/zinc/34/47/59/395344759.db2.gz ZMLVDVJZRPFGMY-INIZCTEOSA-N 0 3 273.376 2.130 20 30 CEEDHN C=CCN[C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412010910 395344907 /nfs/dbraw/zinc/34/49/07/395344907.db2.gz SKQHNXFGRMKASN-HNNXBMFYSA-N 0 3 261.365 2.292 20 30 CEEDHN N#CCCCN[C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412009779 395345143 /nfs/dbraw/zinc/34/51/43/395345143.db2.gz OQAINNDXZQXZKT-INIZCTEOSA-N 0 3 288.391 2.410 20 30 CEEDHN N#Cc1ccc(CC(=O)NC[C@H]2CCN2C2CCCC2)cc1 ZINC000530023491 395453448 /nfs/dbraw/zinc/45/34/48/395453448.db2.gz FKHFLHGIEDLXDF-QGZVFWFLSA-N 0 3 297.402 2.234 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)Cc1cccc(C#N)c1 ZINC000531390174 395459020 /nfs/dbraw/zinc/45/90/20/395459020.db2.gz GHZVABURSGCQCY-INIZCTEOSA-N 0 3 285.391 2.091 20 30 CEEDHN CC(C)N(CC(=O)NCc1cccc(C#N)c1)CC1CC1 ZINC000532668554 395460274 /nfs/dbraw/zinc/46/02/74/395460274.db2.gz SHEGKMFJXIUDRU-UHFFFAOYSA-N 0 3 285.391 2.295 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC[C@H](C#N)CCC#N ZINC000573068625 395599460 /nfs/dbraw/zinc/59/94/60/395599460.db2.gz WXXJMJMGLZEOHX-UONOGXRCSA-N 0 3 262.401 2.140 20 30 CEEDHN CC[C@@](C)(CNCc1cnc2ccc(C#N)cn12)OC ZINC000449480173 395550309 /nfs/dbraw/zinc/55/03/09/395550309.db2.gz XOVMIGJRNNJGOY-HNNXBMFYSA-N 0 3 272.352 2.111 20 30 CEEDHN CCC[C@H](C)[C@@H](CO)NCc1ccc(C#N)cc1OC ZINC000568752203 395569877 /nfs/dbraw/zinc/56/98/77/395569877.db2.gz CKBJYBKNWQAYPJ-SWLSCSKDSA-N 0 3 276.380 2.454 20 30 CEEDHN C=CCCCCCNC(=O)NC(C)(C)CN(C)C ZINC000571774267 395584844 /nfs/dbraw/zinc/58/48/44/395584844.db2.gz MXLQIBLZHOSQRQ-UHFFFAOYSA-N 0 3 255.406 2.372 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H]1COCC1(C)C ZINC000451808034 395625308 /nfs/dbraw/zinc/62/53/08/395625308.db2.gz CTUQFKYNGKBVOQ-CQSZACIVSA-N 0 3 260.337 2.081 20 30 CEEDHN CC(C)[C@@H]1CN(Cc2cc(F)ccc2C#N)CCN1C ZINC000488039004 395667759 /nfs/dbraw/zinc/66/77/59/395667759.db2.gz BVCGCZRCFKRXLN-INIZCTEOSA-N 0 3 275.371 2.469 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(OC)c1F ZINC000648745635 395973132 /nfs/dbraw/zinc/97/31/32/395973132.db2.gz XLJAZKROPPVVCV-NEPJUHHUSA-N 0 3 251.301 2.267 20 30 CEEDHN C=C(C)[C@H](CO)N1CCc2ccc(OC)cc2CC1 ZINC000649398516 396141491 /nfs/dbraw/zinc/14/14/91/396141491.db2.gz NKQFDQRYDKTTJR-INIZCTEOSA-N 0 3 261.365 2.033 20 30 CEEDHN C=C(C)[C@H](CO)N1CCCO[C@@H](c2ccccc2)C1 ZINC000649287111 396113536 /nfs/dbraw/zinc/11/35/36/396113536.db2.gz FURPWSUDULHNHU-JKSUJKDBSA-N 0 3 261.365 2.387 20 30 CEEDHN C=CCNC(=O)CNC1(c2ccccc2C)CCC1 ZINC000649646195 396220003 /nfs/dbraw/zinc/22/00/03/396220003.db2.gz WHJQHBUHOJZCKE-UHFFFAOYSA-N 0 3 258.365 2.266 20 30 CEEDHN COCC#CCN1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000646073823 396284863 /nfs/dbraw/zinc/28/48/63/396284863.db2.gz JPEHPFIBSOVHQM-ROUUACIJSA-N 0 3 287.403 2.094 20 30 CEEDHN C=C[C@@H](O)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000646653594 396366037 /nfs/dbraw/zinc/36/60/37/396366037.db2.gz NBJHCZWPJRULIX-CQSZACIVSA-N 0 3 262.353 2.014 20 30 CEEDHN Cc1cc(CN2CCC3(CCN(C)C3=O)CC2)ccc1C#N ZINC000488975489 400587090 /nfs/dbraw/zinc/58/70/90/400587090.db2.gz KAPGKBXWQXCDTH-UHFFFAOYSA-N 0 3 297.402 2.311 20 30 CEEDHN COCCN1CCC(Nc2cc(C#N)ccc2OC)CC1 ZINC000359956641 155179975 /nfs/dbraw/zinc/17/99/75/155179975.db2.gz ZEEZOVQCEUYNNE-UHFFFAOYSA-N 0 3 289.379 2.090 20 30 CEEDHN C=CCC[C@H](NCC[C@]1(O)CCOC1)c1ccco1 ZINC000652261259 401475294 /nfs/dbraw/zinc/47/52/94/401475294.db2.gz AMIAQIPMJFRULO-ZFWWWQNUSA-N 0 3 265.353 2.418 20 30 CEEDHN CC[C@H](C)[C@H](C)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360100347 155215598 /nfs/dbraw/zinc/21/55/98/155215598.db2.gz XPCQYXFAGWNUTE-COPLHBTASA-N 0 3 259.353 2.109 20 30 CEEDHN C[C@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)N(C)C1CC1 ZINC000360144875 155225088 /nfs/dbraw/zinc/22/50/88/155225088.db2.gz YDUIPNDWLSGWBW-OLZOCXBDSA-N 0 3 285.391 2.261 20 30 CEEDHN COc1ccc(CN2[C@H](C)CCC[C@@H]2CO)cc1C#N ZINC000181379792 286309954 /nfs/dbraw/zinc/30/99/54/286309954.db2.gz GHKQCRCDDTZBBX-IUODEOHRSA-N 0 3 274.364 2.302 20 30 CEEDHN CC(C)(O)CN(Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000192206012 153203728 /nfs/dbraw/zinc/20/37/28/153203728.db2.gz APKCHWOMDOVTOL-UHFFFAOYSA-N 0 3 262.328 2.433 20 30 CEEDHN CC[C@]1(CO)CCCN1Cc1ccc(C#N)c(F)c1 ZINC000192216163 153203809 /nfs/dbraw/zinc/20/38/09/153203809.db2.gz ZDVJZDIDGNMMED-OAHLLOKOSA-N 0 3 262.328 2.434 20 30 CEEDHN Cc1c([C@H]2OCC[C@@H]2NCc2ccc(C#N)cc2)cnn1C ZINC000331968235 154215405 /nfs/dbraw/zinc/21/54/05/154215405.db2.gz IZBXNNWQMGHQIO-DLBZAZTESA-N 0 3 296.374 2.220 20 30 CEEDHN COC(=O)CCC(C)(C)NCc1ccc(C#N)s1 ZINC000358282589 154560900 /nfs/dbraw/zinc/56/09/00/154560900.db2.gz SXXAEBYLHGEUOR-UHFFFAOYSA-N 0 3 266.366 2.441 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H](c3nc[nH]n3)C2)c(F)c1 ZINC000363642147 156037532 /nfs/dbraw/zinc/03/75/32/156037532.db2.gz WSCMZOBVXXGKQD-CYBMUJFWSA-N 0 3 285.326 2.195 20 30 CEEDHN COc1cc(CN2CC[C@@]3(CCOC3)C2)ccc1C#N ZINC000376000407 157175579 /nfs/dbraw/zinc/17/55/79/157175579.db2.gz PAKSDZFFEVMXDI-MRXNPFEDSA-N 0 3 272.348 2.179 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000376167446 157192046 /nfs/dbraw/zinc/19/20/46/157192046.db2.gz QFPOXQZWUNYUKQ-ZBFHGGJFSA-N 0 3 298.390 2.425 20 30 CEEDHN C[C@H](NCC[C@H](C)[S@](C)=O)c1cccc(C#N)c1 ZINC000164652682 162332914 /nfs/dbraw/zinc/33/29/14/162332914.db2.gz WKHWSWXRTYTGLD-OAVHHTNSSA-N 0 3 264.394 2.366 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@H]2CCC[C@@H](C1)C2O ZINC000178847440 165259966 /nfs/dbraw/zinc/25/99/66/165259966.db2.gz XNNMZRNANSVWKA-VMZNBEPHSA-N 0 3 286.375 2.160 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000335686950 287130924 /nfs/dbraw/zinc/13/09/24/287130924.db2.gz GJNDECMKPRDRFY-GUYCJALGSA-N 0 3 283.375 2.221 20 30 CEEDHN C[C@@H](NCc1ccc(OCC#N)cc1)[C@@H]1CCCO1 ZINC000035273788 172094458 /nfs/dbraw/zinc/09/44/58/172094458.db2.gz DAKIYQDCKVJWQM-DOMZBBRYSA-N 0 3 260.337 2.246 20 30 CEEDHN CCCCOc1ccccc1CNCCn1cnc(C#N)n1 ZINC000285404537 196275505 /nfs/dbraw/zinc/27/55/05/196275505.db2.gz FJNGRRBBNADFPB-UHFFFAOYSA-N 0 3 299.378 2.118 20 30 CEEDHN CCC[C@@]1(NCC(=O)Nc2sccc2C#N)CCOC1 ZINC000285697457 196370837 /nfs/dbraw/zinc/37/08/37/196370837.db2.gz VSWHIGDIILULOW-CQSZACIVSA-N 0 3 293.392 2.107 20 30 CEEDHN CCOC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000040689436 174376667 /nfs/dbraw/zinc/37/66/67/174376667.db2.gz OMZDOBNRYTUXDV-MRXNPFEDSA-N 0 3 274.364 2.093 20 30 CEEDHN C=CCCn1cc(CN[C@H](C)CCc2cccn2C)nn1 ZINC000657377701 414896806 /nfs/dbraw/zinc/89/68/06/414896806.db2.gz UPUDDBMDFBIRCY-CQSZACIVSA-N 0 3 287.411 2.304 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654309404 414898722 /nfs/dbraw/zinc/89/87/22/414898722.db2.gz ZJFMFIAXWBNZCQ-ILXRZTDVSA-N 0 3 280.412 2.101 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654309405 414898875 /nfs/dbraw/zinc/89/88/75/414898875.db2.gz ZJFMFIAXWBNZCQ-KFWWJZLASA-N 0 3 280.412 2.101 20 30 CEEDHN C=CCCNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000660990860 415059501 /nfs/dbraw/zinc/05/95/01/415059501.db2.gz IQSXTLPRNXGAOP-CQSZACIVSA-N 0 3 275.396 2.382 20 30 CEEDHN C=CCCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000661099066 415094949 /nfs/dbraw/zinc/09/49/49/415094949.db2.gz GNTDAZRHRSZEBY-MRXNPFEDSA-N 0 3 287.407 2.384 20 30 CEEDHN C=CCCN(C)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654732775 415022172 /nfs/dbraw/zinc/02/21/72/415022172.db2.gz GFNMTQQVXAWULM-KGLIPLIRSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCN(C[C@H](O)C1CCCCC1)[C@@H](C)COC ZINC000661240597 415151088 /nfs/dbraw/zinc/15/10/88/415151088.db2.gz OVUNIGKIFPYADP-ZFWWWQNUSA-N 0 3 255.402 2.451 20 30 CEEDHN C=CCN(C[C@H](O)CC1CCCC1)[C@@H](C)COC ZINC000661240930 415151338 /nfs/dbraw/zinc/15/13/38/415151338.db2.gz TXHOPCSKKAVPNG-DZGCQCFKSA-N 0 3 255.402 2.451 20 30 CEEDHN CCCCN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000043305011 175003137 /nfs/dbraw/zinc/00/31/37/175003137.db2.gz OPLNBVGAPOQTNB-CYBMUJFWSA-N 0 3 265.401 2.449 20 30 CEEDHN CCCNC(=O)CCN[C@H](C)c1ccc(OCC#N)cc1 ZINC000045072664 175302005 /nfs/dbraw/zinc/30/20/05/175302005.db2.gz UMJQOEWTYXLXRQ-CYBMUJFWSA-N 0 3 289.379 2.156 20 30 CEEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)NCC(C)C)C1 ZINC000661378668 415232706 /nfs/dbraw/zinc/23/27/06/415232706.db2.gz JZQGQRWKLCXCEN-ZIAGYGMSSA-N 0 3 252.402 2.435 20 30 CEEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000661420118 415252646 /nfs/dbraw/zinc/25/26/46/415252646.db2.gz SEZDSDKXVGQEQX-JJXSEGSLSA-N 0 3 291.439 2.467 20 30 CEEDHN C=CCC[C@H](NC[C@]1(OCCO)CCOC1)c1ccco1 ZINC000658145220 415231518 /nfs/dbraw/zinc/23/15/18/415231518.db2.gz QHQNFRSFXHCERX-GOEBONIOSA-N 0 3 295.379 2.045 20 30 CEEDHN C=CC[C@@H]1CCCN(CC(=O)N(CC=C)CC=C)C1 ZINC000661378018 415231968 /nfs/dbraw/zinc/23/19/68/415231968.db2.gz ZNRXVZOQQMKUGO-OAHLLOKOSA-N 0 3 262.397 2.475 20 30 CEEDHN C=CCN(C(=O)N[C@H](CC)CN1CCCC1)[C@H](C)COC ZINC000664410143 415329253 /nfs/dbraw/zinc/32/92/53/415329253.db2.gz STFBVWFUECGNLV-HUUCEWRRSA-N 0 3 297.443 2.093 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000171587130 335071953 /nfs/dbraw/zinc/07/19/53/335071953.db2.gz WLALAOSQUFUJFU-LBPRGKRZSA-N 0 3 266.385 2.245 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)CN(C)C ZINC000664894936 415515030 /nfs/dbraw/zinc/51/50/30/415515030.db2.gz BVIUEHYNGWUNOU-BFHYXJOUSA-N 0 3 267.417 2.371 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@H](N(C)c2ccccc2)C1 ZINC000662019371 415575420 /nfs/dbraw/zinc/57/54/20/415575420.db2.gz GRCAIDASDHOTHS-HOTGVXAUSA-N 0 3 260.381 2.134 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccccc1 ZINC000662078175 415611640 /nfs/dbraw/zinc/61/16/40/415611640.db2.gz CGKGEQSTOJTCRL-IYBDPMFKSA-N 0 3 270.376 2.486 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCC(C)C ZINC000662080175 415616282 /nfs/dbraw/zinc/61/62/82/415616282.db2.gz ITWFYFXLDVRLEA-MELADBBJSA-N 0 3 250.386 2.330 20 30 CEEDHN C=CCOCCCC(=O)N1CCNC2(CCCCC2)C1 ZINC000656364797 415681036 /nfs/dbraw/zinc/68/10/36/415681036.db2.gz SREDOJSBZZDZSP-UHFFFAOYSA-N 0 3 280.412 2.104 20 30 CEEDHN C=C(C)[C@@H](CO)N(CC)CCOc1ccccc1OC ZINC000662203382 415682857 /nfs/dbraw/zinc/68/28/57/415682857.db2.gz DFDMWIRVXGEOCJ-CQSZACIVSA-N 0 3 279.380 2.333 20 30 CEEDHN C=CCN(C(=O)N[C@@H]1CCN(C(C)(C)C)C1)[C@@H](C)COC ZINC000665552758 415776146 /nfs/dbraw/zinc/77/61/46/415776146.db2.gz IEOBHIQPIVOCAD-UONOGXRCSA-N 0 3 297.443 2.092 20 30 CEEDHN C=CCN(CC=C)C(=O)CNC1(COC)CCCCC1 ZINC000662336389 415786525 /nfs/dbraw/zinc/78/65/25/415786525.db2.gz BQNOITPIOUYQIW-UHFFFAOYSA-N 0 3 280.412 2.126 20 30 CEEDHN C=CCOCCCNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000662663896 415922807 /nfs/dbraw/zinc/92/28/07/415922807.db2.gz MDTQCZJWPUNNOA-OAHLLOKOSA-N 0 3 290.407 2.422 20 30 CEEDHN C=CC[C@H](C)NC(=O)c1cc2c(s1)CCNC2 ZINC000662465769 415855104 /nfs/dbraw/zinc/85/51/04/415855104.db2.gz SAGDRYFOQRFVAR-VIFPVBQESA-N 0 3 250.367 2.088 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)c1cccc(CC#N)c1 ZINC000078428106 177340710 /nfs/dbraw/zinc/34/07/10/177340710.db2.gz QRRISMLHPNISNV-AWEZNQCLSA-N 0 3 285.391 2.357 20 30 CEEDHN C#CCNC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000078545446 177352442 /nfs/dbraw/zinc/35/24/42/177352442.db2.gz TXHPVIYBYDHODB-HNNXBMFYSA-N 0 3 273.380 2.002 20 30 CEEDHN Cc1ccccc1OCCCN(C)C(=O)C(C)C#N ZINC000347069586 226014089 /nfs/dbraw/zinc/01/40/89/226014089.db2.gz NIOMGYLWBVAPGS-CYBMUJFWSA-N 0 3 260.337 2.382 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000347125808 226036191 /nfs/dbraw/zinc/03/61/91/226036191.db2.gz CBAFGRRSMCXJQN-BZPMIXESSA-N 0 3 258.321 2.135 20 30 CEEDHN COc1ccc(CNC(=O)C(C)C#N)c(C(F)(F)F)c1 ZINC000347127001 226036305 /nfs/dbraw/zinc/03/63/05/226036305.db2.gz DPVBTZLUPHTWPT-MRVPVSSYSA-N 0 3 286.253 2.490 20 30 CEEDHN COc1ccc(C(C)(C)CNC(=O)C(C)C#N)cc1OC ZINC000347133695 226038830 /nfs/dbraw/zinc/03/88/30/226038830.db2.gz LAIFKPHEVHAYKW-LLVKDONJSA-N 0 3 290.363 2.257 20 30 CEEDHN Cc1cccc2ncc(CN[C@@H]3CC[C@H](C#N)C3)n21 ZINC000335284425 226228482 /nfs/dbraw/zinc/22/84/82/226228482.db2.gz CKOHCBNMQSPRHH-QWHCGFSZSA-N 0 3 254.337 2.425 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccccc1)CC(F)F ZINC000347755870 226377519 /nfs/dbraw/zinc/37/75/19/226377519.db2.gz NOHHVNCDJSGQAG-SNVBAGLBSA-N 0 3 252.264 2.440 20 30 CEEDHN CC(C#N)C(=O)N1CC(c2nc3ccccc3s2)C1 ZINC000336367627 226941254 /nfs/dbraw/zinc/94/12/54/226941254.db2.gz ZLLROPOZNMIREB-VIFPVBQESA-N 0 3 271.345 2.382 20 30 CEEDHN N#Cc1ccc(CN[C@H](CO)C2CCCC2)cc1F ZINC000352705260 227171117 /nfs/dbraw/zinc/17/11/17/227171117.db2.gz IZODWCZRZVSYRN-OAHLLOKOSA-N 0 3 262.328 2.338 20 30 CEEDHN CC(C#N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000352729517 227192258 /nfs/dbraw/zinc/19/22/58/227192258.db2.gz OAFZMNYTZNUMCY-LLVKDONJSA-N 0 3 275.308 2.193 20 30 CEEDHN [O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+]CCC1CCCC1 ZINC000330171934 228055764 /nfs/dbraw/zinc/05/57/64/228055764.db2.gz FXJBIBUFSKGTBF-CYBMUJFWSA-N 0 3 276.384 2.282 20 30 CEEDHN C[C@H]1CC[C@H](NC([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330176173 228056576 /nfs/dbraw/zinc/05/65/76/228056576.db2.gz CBACMAAGFPTIGS-AVGNSLFASA-N 0 3 276.384 2.280 20 30 CEEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CC1(C)C ZINC000331912837 228137940 /nfs/dbraw/zinc/13/79/40/228137940.db2.gz UKKYOYBVNKNLJN-LSDHHAIUSA-N 0 3 281.359 2.497 20 30 CEEDHN C[S@](=O)Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000353814411 228155630 /nfs/dbraw/zinc/15/56/30/228155630.db2.gz IMHNPXMHSSPDHA-VCBZYWHSSA-N 0 3 276.405 2.347 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cccc(OC)c1F ZINC000320699634 419487690 /nfs/dbraw/zinc/48/76/90/419487690.db2.gz XWSOSCIZBHXVRI-LBPRGKRZSA-N 0 3 253.317 2.251 20 30 CEEDHN C=CC(C)(C)CNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000667800703 419809715 /nfs/dbraw/zinc/80/97/15/419809715.db2.gz LRZLJJIWCVYEHK-UHFFFAOYSA-N 0 3 274.368 2.061 20 30 CEEDHN C#C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000187731564 260053568 /nfs/dbraw/zinc/05/35/68/260053568.db2.gz GGFJZUMVJJWAKO-ZOBUZTSGSA-N 0 3 299.418 2.360 20 30 CEEDHN C#Cc1ccc(CNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000297757840 260133694 /nfs/dbraw/zinc/13/36/94/260133694.db2.gz VNNWWWKXWFVTFV-YOEHRIQHSA-N 0 3 299.418 2.292 20 30 CEEDHN C#CC(C)(C)N(C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000298497541 260155244 /nfs/dbraw/zinc/15/52/44/260155244.db2.gz JYADZHMLKWEZCF-UHFFFAOYSA-N 0 3 288.347 2.088 20 30 CEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H](CC)N(C)C ZINC000298490103 260155576 /nfs/dbraw/zinc/15/55/76/260155576.db2.gz AHGWIYMUWSKUFS-OAHLLOKOSA-N 0 3 276.355 2.128 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)COCCC)C(C)C ZINC000299271942 260178360 /nfs/dbraw/zinc/17/83/60/260178360.db2.gz XLEZSNYGPNWKQE-HNNXBMFYSA-N 0 3 282.428 2.228 20 30 CEEDHN C=C(CNCc1c(C)nnn1CC)c1ccccc1 ZINC000449100558 260217501 /nfs/dbraw/zinc/21/75/01/260217501.db2.gz BXHDJIDZBQLMRI-UHFFFAOYSA-N 0 3 256.353 2.409 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCCNc2ccc3ccccc3n2)C1 ZINC000518298156 260370448 /nfs/dbraw/zinc/37/04/48/260370448.db2.gz MEHKFPSHRSYMPY-HIFRSBDPSA-N 0 3 280.375 2.350 20 30 CEEDHN C=C(C)CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000161193079 260966436 /nfs/dbraw/zinc/96/64/36/260966436.db2.gz JKGZXAXKIBBNLS-OAHLLOKOSA-N 0 3 275.396 2.035 20 30 CEEDHN C=CCOc1ccccc1CN1C[C@@H](O)C(C)(C)C1 ZINC000448369045 261130410 /nfs/dbraw/zinc/13/04/10/261130410.db2.gz YGVOWEKMQJZERC-OAHLLOKOSA-N 0 3 261.365 2.454 20 30 CEEDHN CC[C@@H]1[C@@H](C)CCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000249458233 261253882 /nfs/dbraw/zinc/25/38/82/261253882.db2.gz QDTCXLBEJOLHLR-GZBFAFLISA-N 0 3 265.401 2.161 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CC[C@@H]2CCCO2)CC1 ZINC000106036643 261320317 /nfs/dbraw/zinc/32/03/17/261320317.db2.gz KPPLUQVVLDCIGX-HNNXBMFYSA-N 0 3 280.412 2.102 20 30 CEEDHN C[C@@H](N[C@H](CO)CC(F)F)c1ccc(C#N)cc1 ZINC000429463126 269845291 /nfs/dbraw/zinc/84/52/91/269845291.db2.gz SKQWFGSKSUBXKP-SKDRFNHKSA-N 0 3 254.280 2.225 20 30 CEEDHN COC(=O)COc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000185665874 262064713 /nfs/dbraw/zinc/06/47/13/262064713.db2.gz PNWPFYJHYHGOKZ-GFCCVEGCSA-N 0 3 276.336 2.193 20 30 CEEDHN CN(C)C(=O)O[C@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000497272688 262130300 /nfs/dbraw/zinc/13/03/00/262130300.db2.gz SUMOTZNNQUFPMB-LBPRGKRZSA-N 0 3 267.373 2.089 20 30 CEEDHN CC#CCCCC(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000364168456 262178752 /nfs/dbraw/zinc/17/87/52/262178752.db2.gz DVJFQJPOPRYPQV-IAGOWNOFSA-N 0 3 284.403 2.394 20 30 CEEDHN CN1CC[C@@H](CNC(=O)CC#N)[C@@H]1c1cccc(Cl)c1 ZINC000364369553 262220368 /nfs/dbraw/zinc/22/03/68/262220368.db2.gz NDFDVWGTGZTTPN-WFASDCNBSA-N 0 3 291.782 2.363 20 30 CEEDHN O=C(/C=N/OCCN1CCCCC1)Nc1cccc(F)c1 ZINC000194376691 262236735 /nfs/dbraw/zinc/23/67/35/262236735.db2.gz BDHIEZYVDYWTGU-SFQUDFHCSA-N 0 3 293.342 2.253 20 30 CEEDHN Cn1cc(CNC[C@H]2CCCC2(F)F)cc1C#N ZINC000390666099 262237063 /nfs/dbraw/zinc/23/70/63/262237063.db2.gz MVEGNSVSSNKENV-LLVKDONJSA-N 0 3 253.296 2.422 20 30 CEEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](n3cncn3)C2)cc1 ZINC000364514173 262253592 /nfs/dbraw/zinc/25/35/92/262253592.db2.gz WZECZNPPDYYKBI-DZGCQCFKSA-N 0 3 297.362 2.016 20 30 CEEDHN Cc1ncccc1O[C@@H]1CCN(CCCSCC#N)C1 ZINC000365274026 262357671 /nfs/dbraw/zinc/35/76/71/262357671.db2.gz LJVAHKBNTMSBON-CQSZACIVSA-N 0 3 291.420 2.490 20 30 CEEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](COC)OC)c([O-])c1 ZINC000272624541 263007575 /nfs/dbraw/zinc/00/75/75/263007575.db2.gz KMCMUZSBWVAZLZ-ADFUCPMPSA-N 0 3 294.395 2.319 20 30 CEEDHN N#CCc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000278010933 263045152 /nfs/dbraw/zinc/04/51/52/263045152.db2.gz SKUFFDZAGLOZBY-QGZVFWFLSA-N 0 3 297.402 2.499 20 30 CEEDHN C=C(C)COCCNCc1ccc(O)c(OCC)c1 ZINC000163573046 263046913 /nfs/dbraw/zinc/04/69/13/263046913.db2.gz VZIAXDUOPVGIMI-UHFFFAOYSA-N 0 3 265.353 2.473 20 30 CEEDHN CC(C)(C#N)CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000278480326 263048174 /nfs/dbraw/zinc/04/81/74/263048174.db2.gz JXHXBKBNBQXNQQ-OAHLLOKOSA-N 0 3 285.391 2.317 20 30 CEEDHN CNC(=O)c1ccc(CN(C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000278720616 263050128 /nfs/dbraw/zinc/05/01/28/263050128.db2.gz VBQXHRDAMMHYRB-HIFRSBDPSA-N 0 3 271.364 2.170 20 30 CEEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H]1C ZINC000280621437 263063395 /nfs/dbraw/zinc/06/33/95/263063395.db2.gz YEZDDFZNSYQISM-WWGRRREGSA-N 0 3 281.359 2.497 20 30 CEEDHN C=CC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280831104 263064663 /nfs/dbraw/zinc/06/46/63/263064663.db2.gz IOIJQLALJKTCHS-WFASDCNBSA-N 0 3 267.332 2.321 20 30 CEEDHN C=C[C@@H](CC(=O)NC[C@@H](C)N(C)C)c1ccccc1 ZINC000340071810 263066478 /nfs/dbraw/zinc/06/64/78/263066478.db2.gz AKOSKFSOIABZBJ-KGLIPLIRSA-N 0 3 260.381 2.413 20 30 CEEDHN CC1=CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281526596 263069743 /nfs/dbraw/zinc/06/97/43/263069743.db2.gz JMTQUBPBFAMMQB-INIZCTEOSA-N 0 3 279.343 2.419 20 30 CEEDHN C#CCCNC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000369543328 263086339 /nfs/dbraw/zinc/08/63/39/263086339.db2.gz DXQSFFYXDPMZMK-OCCSQVGLSA-N 0 3 291.420 2.063 20 30 CEEDHN CN(CCC#N)C(=O)CCN1CCC=C(c2ccco2)C1 ZINC000285425799 263093062 /nfs/dbraw/zinc/09/30/62/263093062.db2.gz WCGFDTUDWKDNQV-UHFFFAOYSA-N 0 3 287.363 2.131 20 30 CEEDHN N#CCSCCCN1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340206814 263093282 /nfs/dbraw/zinc/09/32/82/263093282.db2.gz VWGSPWGOMHXAGA-MNOVXSKESA-N 0 3 296.358 2.411 20 30 CEEDHN CN1CC[C@H](NC[C@H](C#N)CCC#N)[C@H]1c1ccccc1 ZINC000289351040 263109139 /nfs/dbraw/zinc/10/91/39/263109139.db2.gz HGZZUUGUGVVYNY-BHYGNILZSA-N 0 3 282.391 2.465 20 30 CEEDHN CN1CC[C@@H](NC(=O)CCCC#N)[C@@H]1c1ccccc1 ZINC000291922887 263126674 /nfs/dbraw/zinc/12/66/74/263126674.db2.gz NOUCAGHDRWBNEO-ZBFHGGJFSA-N 0 3 271.364 2.242 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CCCC#N ZINC000292012884 263127265 /nfs/dbraw/zinc/12/72/65/263127265.db2.gz YJMTYFWXKXXQBH-CQSZACIVSA-N 0 3 273.380 2.317 20 30 CEEDHN C=C(C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000452715895 263135659 /nfs/dbraw/zinc/13/56/59/263135659.db2.gz FPTATCLQCCQIBO-OAHLLOKOSA-N 0 3 267.332 2.323 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H](C)N1C ZINC000293392137 263139512 /nfs/dbraw/zinc/13/95/12/263139512.db2.gz KSBBCUHWZCJSNO-OKILXGFUSA-N 0 3 273.380 2.113 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2cccc(N3CCOCC3)c2)C1 ZINC000340434231 263145086 /nfs/dbraw/zinc/14/50/86/263145086.db2.gz 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/nfs/dbraw/zinc/30/71/40/263307140.db2.gz GZURIYFKUUXTOD-RBSFLKMASA-N 0 3 285.322 2.247 20 30 CEEDHN CC(C#N)C(=O)NCc1cc(-c2ccccc2)on1 ZINC000341238130 263328383 /nfs/dbraw/zinc/32/83/83/263328383.db2.gz UDECBJHYJOBKTJ-JTQLQIEISA-N 0 3 255.277 2.117 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000341461203 263336763 /nfs/dbraw/zinc/33/67/63/263336763.db2.gz ITZRQTAWZDONIZ-KGLIPLIRSA-N 0 3 267.417 2.324 20 30 CEEDHN COCC1(C#N)CCN(C[C@@H](O)CCC(C)C)CC1 ZINC000341999807 263375107 /nfs/dbraw/zinc/37/51/07/263375107.db2.gz VJRJHLSASBGANX-AWEZNQCLSA-N 0 3 268.401 2.036 20 30 CEEDHN CC(C)[C@H](C(=O)NCC1(C#N)CCC1)N1CCCCC1 ZINC000416352489 263702414 /nfs/dbraw/zinc/70/24/14/263702414.db2.gz CPLKLYHSCKXEPQ-CQSZACIVSA-N 0 3 277.412 2.307 20 30 CEEDHN CC[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCN(CCOC)C2)C1 ZINC000330843531 264065772 /nfs/dbraw/zinc/06/57/72/264065772.db2.gz BMADDPWIXZMFTR-ILXRZTDVSA-N 0 3 297.443 2.180 20 30 CEEDHN C=CCN1CCC(NC(=O)c2c(C)cc(C)[nH]c2=O)CC1 ZINC000330956883 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ZINC000350341590 265248913 /nfs/dbraw/zinc/24/89/13/265248913.db2.gz KDNAJIJEKAAAHN-JTQLQIEISA-N 0 3 268.288 2.008 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000356165698 266061147 /nfs/dbraw/zinc/06/11/47/266061147.db2.gz MDOZVLWNNCXUHE-WDEREUQCSA-N 0 3 286.310 2.348 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H](C)C1CCC1 ZINC000357037402 266237566 /nfs/dbraw/zinc/23/75/66/266237566.db2.gz MCHSBKRPOUPLKC-SWLSCSKDSA-N 0 3 265.401 2.161 20 30 CEEDHN CC(C#N)C(=O)NCCCCOc1ccc(F)cc1 ZINC000357806088 266368017 /nfs/dbraw/zinc/36/80/17/266368017.db2.gz SPADITBNQBGUOH-NSHDSACASA-N 0 3 264.300 2.261 20 30 CEEDHN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C(C)C#N ZINC000357841249 266375693 /nfs/dbraw/zinc/37/56/93/266375693.db2.gz VHPCLEDHSWMOSJ-NSHDSACASA-N 0 3 282.347 2.265 20 30 CEEDHN CN(C)C1(CNc2nc3c(cc2C#N)CCCC3)CC1 ZINC000398006166 266492949 /nfs/dbraw/zinc/49/29/49/266492949.db2.gz VWCYZEOZSLZKKY-UHFFFAOYSA-N 0 3 270.380 2.338 20 30 CEEDHN CC(=O)c1ccc(C#N)c(NCC2(N(C)C)CC2)c1 ZINC000419002535 266845502 /nfs/dbraw/zinc/84/55/02/266845502.db2.gz BVIXATGAUJIVNG-UHFFFAOYSA-N 0 3 257.337 2.267 20 30 CEEDHN COc1ccc(OC(F)F)c(CNC(=O)C(C)C#N)c1 ZINC000362574874 267009106 /nfs/dbraw/zinc/00/91/06/267009106.db2.gz CTKGIAZICHRKOD-QMMMGPOBSA-N 0 3 284.262 2.072 20 30 CEEDHN CCN(CC)C(=O)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000449738210 267055663 /nfs/dbraw/zinc/05/56/63/267055663.db2.gz ZZSKHORGHQUPNH-GFCCVEGCSA-N 0 3 291.370 2.434 20 30 CEEDHN C=CCOc1ccc(CN[C@H](C(=O)NC)C(C)C)cc1 ZINC000362954429 267065826 /nfs/dbraw/zinc/06/58/26/267065826.db2.gz KTXYLHVMFHEMDJ-HNNXBMFYSA-N 0 3 276.380 2.112 20 30 CEEDHN C=CC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000368238912 267153153 /nfs/dbraw/zinc/15/31/53/267153153.db2.gz CVNOGSYUNRXKDZ-SMDDNHRTSA-N 0 3 256.365 2.280 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000368368069 267166482 /nfs/dbraw/zinc/16/64/82/267166482.db2.gz YSMFQMDOPKJGHL-CWRNSKLLSA-N 0 3 293.432 2.369 20 30 CEEDHN CCN(CC#N)C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000368455472 267173720 /nfs/dbraw/zinc/17/37/20/267173720.db2.gz QEISGNLRTSKAGO-AWEZNQCLSA-N 0 3 263.385 2.156 20 30 CEEDHN CC[C@@H](C)NC(=O)CCNCc1ccc(C#N)c(C)c1 ZINC000443955136 267187130 /nfs/dbraw/zinc/18/71/30/267187130.db2.gz CADPQNHESCLZKR-CYBMUJFWSA-N 0 3 273.380 2.261 20 30 CEEDHN CC[C@@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(C#N)cc1 ZINC000447540659 267198223 /nfs/dbraw/zinc/19/82/23/267198223.db2.gz KDACUOLDYRTDEN-LSDHHAIUSA-N 0 3 271.364 2.220 20 30 CEEDHN CC[C@H](C)N[C@@H](CNc1nccc(C#N)n1)c1ccco1 ZINC000450527960 267204681 /nfs/dbraw/zinc/20/46/81/267204681.db2.gz IYWUBTOSJHHBBX-AAEUAGOBSA-N 0 3 285.351 2.483 20 30 CEEDHN CC[C@H](N[C@@H](C)CC(=O)NC)c1ccc(C#N)cc1 ZINC000453387002 267222823 /nfs/dbraw/zinc/22/28/23/267222823.db2.gz VWSMGBWPKOGBLP-FZMZJTMJSA-N 0 3 259.353 2.124 20 30 CEEDHN CC[C@H](N[C@H](C)CC(=O)NC)c1ccc(C#N)cc1 ZINC000453387003 267223670 /nfs/dbraw/zinc/22/36/70/267223670.db2.gz VWSMGBWPKOGBLP-RISCZKNCSA-N 0 3 259.353 2.124 20 30 CEEDHN C#CCCNC(=O)NC1CCN(Cc2cccs2)CC1 ZINC000369286067 267232148 /nfs/dbraw/zinc/23/21/48/267232148.db2.gz UHLAAZDFVPPGNZ-UHFFFAOYSA-N 0 3 291.420 2.035 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000369401075 267240822 /nfs/dbraw/zinc/24/08/22/267240822.db2.gz ZVLUITVYDUYWRR-ZOBUZTSGSA-N 0 3 284.403 2.077 20 30 CEEDHN C#CC[C@@H](C)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000369747841 267262709 /nfs/dbraw/zinc/26/27/09/267262709.db2.gz FQSHTWRCNVWLHF-WBVHZDCISA-N 0 3 299.418 2.362 20 30 CEEDHN CN(C)CCSc1c(C#N)cccc1[N+](=O)[O-] ZINC000425234181 267280760 /nfs/dbraw/zinc/28/07/60/267280760.db2.gz HDDLZIVYZXLBJL-UHFFFAOYSA-N 0 3 251.311 2.120 20 30 CEEDHN CN(C)[C@@H](CNc1nccc(C#N)n1)c1ccccc1 ZINC000450215991 267285876 /nfs/dbraw/zinc/28/58/76/267285876.db2.gz MERMOJRYADRHQD-AWEZNQCLSA-N 0 3 267.336 2.063 20 30 CEEDHN Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)o2)N(C)C)cc1 ZINC000429804017 268044143 /nfs/dbraw/zinc/04/41/43/268044143.db2.gz OBZYZUBRHKAWTD-OAHLLOKOSA-N 0 3 297.358 2.492 20 30 CEEDHN Cc1noc(CCCNCc2ccc(C#N)c(F)c2)n1 ZINC000421325816 268097543 /nfs/dbraw/zinc/09/75/43/268097543.db2.gz MELHLVNYHHQPFF-UHFFFAOYSA-N 0 3 274.299 2.111 20 30 CEEDHN N#Cc1cc(C(=O)NC[C@H]2CCN2C2CCCCC2)c[nH]1 ZINC000529720307 268177523 /nfs/dbraw/zinc/17/75/23/268177523.db2.gz SVPWGBPMBOSHQN-OAHLLOKOSA-N 0 3 286.379 2.023 20 30 CEEDHN COCC(C)(C)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000425268827 271149698 /nfs/dbraw/zinc/14/96/98/271149698.db2.gz AIDRWHHIDVDWKA-UHFFFAOYSA-N 0 3 273.380 2.105 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000274803637 275386605 /nfs/dbraw/zinc/38/66/05/275386605.db2.gz NLGMQWDHYIPLAB-YOEHRIQHSA-N 0 3 299.418 2.218 20 30 CEEDHN CC(C)[C@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346969472 276026333 /nfs/dbraw/zinc/02/63/33/276026333.db2.gz FPPRLUZIIAHOGY-KGLIPLIRSA-N 0 3 277.412 2.305 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000333209403 276379254 /nfs/dbraw/zinc/37/92/54/276379254.db2.gz PJWWBOXVJMDDSP-BBRMVZONSA-N 0 3 275.396 2.061 20 30 CEEDHN CN1CC[C@@H]2CCN(c3cccc(F)c3C#N)C[C@@H]21 ZINC000375043291 277147217 /nfs/dbraw/zinc/14/72/17/277147217.db2.gz VSILERGARSQLIG-ABAIWWIYSA-N 0 3 259.328 2.228 20 30 CEEDHN COCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352842673 277534984 /nfs/dbraw/zinc/53/49/84/277534984.db2.gz WSVJVMBEIPWQHS-UHFFFAOYSA-N 0 3 258.243 2.313 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCc1cccc(C#N)c1 ZINC000331003778 278579199 /nfs/dbraw/zinc/57/91/99/278579199.db2.gz RVDYMWMMPADASB-ZIAGYGMSSA-N 0 3 285.391 2.090 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](C)C(C)(C)C1 ZINC000354001567 279223896 /nfs/dbraw/zinc/22/38/96/279223896.db2.gz IOLFCSYUHSXFEA-ZIAGYGMSSA-N 0 3 279.428 2.363 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](C)C[C@H](C)[C@H]1C ZINC000355784165 279224490 /nfs/dbraw/zinc/22/44/90/279224490.db2.gz IMKUBCZPCNETTG-APIJFGDWSA-N 0 3 279.428 2.361 20 30 CEEDHN C[C@H](Cn1cccn1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353266950 279387531 /nfs/dbraw/zinc/38/75/31/279387531.db2.gz JZBMYVWDCFFEGO-MLGOLLRUSA-N 0 3 266.348 2.420 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H]1CCC[C@H]1OC ZINC000130297749 279933515 /nfs/dbraw/zinc/93/35/15/279933515.db2.gz JKDNMLKHNUMJLC-UKRRQHHQSA-N 0 3 260.337 2.224 20 30 CEEDHN CC(C)(O)[C@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000136253485 280060059 /nfs/dbraw/zinc/06/00/59/280060059.db2.gz UDXXEJOBFZYOBT-CQSZACIVSA-N 0 3 262.328 2.433 20 30 CEEDHN CC[C@@H](C)N[C@H](CNC(=O)NCCCC#N)c1ccco1 ZINC000355076314 280112495 /nfs/dbraw/zinc/11/24/95/280112495.db2.gz FXTZXQVUJZSLOC-CHWSQXEVSA-N 0 3 292.383 2.312 20 30 CEEDHN C[C@](O)(CN[C@H]1CCc2ccc(C#N)cc21)C(F)(F)F ZINC000353270768 280144449 /nfs/dbraw/zinc/14/44/49/280144449.db2.gz WXSRDTZJUNTDND-STQMWFEESA-N 0 3 284.281 2.448 20 30 CEEDHN C[C@@H]1[C@H](C)SCCN1C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1 ZINC000329625539 289024923 /nfs/dbraw/zinc/02/49/23/289024923.db2.gz SVFLPUUWLVIMAQ-OUAUKWLOSA-N 0 3 294.424 2.007 20 30 CEEDHN C[C@@H]1[C@H](C)SCCN1C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1 ZINC000329625539 289024924 /nfs/dbraw/zinc/02/49/24/289024924.db2.gz SVFLPUUWLVIMAQ-OUAUKWLOSA-N 0 3 294.424 2.007 20 30 CEEDHN CN(C)[C@@H]1CCCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000336246780 289294326 /nfs/dbraw/zinc/29/43/26/289294326.db2.gz YYJPSGMXJXKCDN-CJNGLKHVSA-N 0 3 275.396 2.013 20 30 CEEDHN C[C@H](CC(=O)N(C)C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000268818477 289410758 /nfs/dbraw/zinc/41/07/58/289410758.db2.gz QZWPQVPNMZYBJQ-NEPJUHHUSA-N 0 3 259.353 2.076 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccccc2)s1 ZINC000538313846 298226952 /nfs/dbraw/zinc/22/69/52/298226952.db2.gz UCWILBJDYCIDHL-GFCCVEGCSA-N 0 3 288.372 2.149 20 30 CEEDHN C[C@H](NCCN1CCO[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000538507760 298229577 /nfs/dbraw/zinc/22/95/77/298229577.db2.gz CCWFJHDBFIMGOY-STQMWFEESA-N 0 3 291.370 2.069 20 30 CEEDHN CC(C)(O)CN(Cc1ccc(C#N)s1)C1CCOCC1 ZINC000539835814 298257418 /nfs/dbraw/zinc/25/74/18/298257418.db2.gz JQGNTALARVKUBB-UHFFFAOYSA-N 0 3 294.420 2.372 20 30 CEEDHN CCOC(=O)C1(CNCc2cccc(C#N)c2)CCC1 ZINC000544369613 298321556 /nfs/dbraw/zinc/32/15/56/298321556.db2.gz FBAQRRWARJSYCS-UHFFFAOYSA-N 0 3 272.348 2.381 20 30 CEEDHN C[C@H]1CN(c2ncccc2C#N)CCN(C2CCC2)C1 ZINC000292423655 300303072 /nfs/dbraw/zinc/30/30/72/300303072.db2.gz WSFKQAWEHXPHOD-CYBMUJFWSA-N 0 3 270.380 2.264 20 30 CEEDHN C[C@@H](N[C@@H](C)CCS(C)(=O)=O)c1ccc(C#N)cc1 ZINC000181908231 312801665 /nfs/dbraw/zinc/80/16/65/312801665.db2.gz PIKLLHCEYPQMJK-NWDGAFQWSA-N 0 3 280.393 2.032 20 30 CEEDHN C[C@@H](CCS(C)(=O)=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000181908513 312801837 /nfs/dbraw/zinc/80/18/37/312801837.db2.gz RGSYDSHIPGCECR-RYUDHWBXSA-N 0 3 280.393 2.032 20 30 CEEDHN N#Cc1csc(CN2CCC(CCO)CC2)c1 ZINC000535782311 313398477 /nfs/dbraw/zinc/39/84/77/313398477.db2.gz UEJQSXZBIBIULH-UHFFFAOYSA-N 0 3 250.367 2.214 20 30 CEEDHN N#Cc1cc(C(=O)NCCN2CCCCC2)ccc1Cl ZINC000540884478 313418053 /nfs/dbraw/zinc/41/80/53/313418053.db2.gz OSTDGYKAWPJHOI-UHFFFAOYSA-N 0 3 291.782 2.427 20 30 CEEDHN CN(C)Cc1ccccc1NC(=O)c1ccc(C#N)[nH]1 ZINC000558613297 313694985 /nfs/dbraw/zinc/69/49/85/313694985.db2.gz JEDATXBQJRVCAZ-UHFFFAOYSA-N 0 3 268.320 2.200 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCCC[C@H]1C1(O)CC1 ZINC000573569655 314169391 /nfs/dbraw/zinc/16/93/91/314169391.db2.gz GYBSSHYKQCCTKS-INIZCTEOSA-N 0 3 286.375 2.446 20 30 CEEDHN CC(C)CN(Cc1cnc2c(C#N)cnn2c1)C(C)C ZINC000576227957 314255049 /nfs/dbraw/zinc/25/50/49/314255049.db2.gz OJVMZJHIFTUMLK-UHFFFAOYSA-N 0 3 271.368 2.467 20 30 CEEDHN N#Cc1cccc(CN2CCNC[C@H]2c2ccncc2)c1 ZINC000577116927 314343195 /nfs/dbraw/zinc/34/31/95/314343195.db2.gz HFNXWFYMFBNKGB-KRWDZBQOSA-N 0 3 278.359 2.100 20 30 CEEDHN CCCN(CCN1CCCCCC1)c1cc(C#N)ncn1 ZINC000578275560 314463799 /nfs/dbraw/zinc/46/37/99/314463799.db2.gz BFJKNQFNGCWXGG-UHFFFAOYSA-N 0 3 287.411 2.441 20 30 CEEDHN CC1(C)[C@H](O)C[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000563363366 328059056 /nfs/dbraw/zinc/05/90/56/328059056.db2.gz JGEYSTLOSILKPG-ZIAGYGMSSA-N 0 3 263.768 2.441 20 30 CEEDHN COCCCOC1CCN([C@H](C)CCC#N)CC1 ZINC000411284611 328082017 /nfs/dbraw/zinc/08/20/17/328082017.db2.gz OZIADDMFKFFSMA-CYBMUJFWSA-N 0 3 254.374 2.196 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000571162478 328089404 /nfs/dbraw/zinc/08/94/04/328089404.db2.gz AVXRWFRQBDYAFG-HNNXBMFYSA-N 0 3 287.407 2.466 20 30 CEEDHN COC[C@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000264928239 328163136 /nfs/dbraw/zinc/16/31/36/328163136.db2.gz OXEYGNKHJAVMAK-HNNXBMFYSA-N 0 3 274.364 2.447 20 30 CEEDHN C=CCCCN1C[C@H](C(=O)OC)N(CCCC=C)C[C@H]1C ZINC000451695680 328166586 /nfs/dbraw/zinc/16/65/86/328166586.db2.gz FBSZHGOCMLUXTQ-HZPDHXFCSA-N 0 3 294.439 2.467 20 30 CEEDHN N#CCCCNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000275504837 328215270 /nfs/dbraw/zinc/21/52/70/328215270.db2.gz MQUSTFMEOXAOPV-UHFFFAOYSA-N 0 3 272.327 2.464 20 30 CEEDHN C[C@@H](C#N)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000181967341 329238632 /nfs/dbraw/zinc/23/86/32/329238632.db2.gz HDMWEGSYCASEBS-SOUVJXGZSA-N 0 3 279.428 2.110 20 30 CEEDHN CCc1ccc([C@@H](C#N)NC(=O)[C@@H](CC)N(C)C)cc1 ZINC000298492020 328296692 /nfs/dbraw/zinc/29/66/92/328296692.db2.gz GCWBBGXCEKTFGJ-HUUCEWRRSA-N 0 3 273.380 2.270 20 30 CEEDHN N#CCSCCCN1CCC(c2ccncn2)CC1 ZINC000298493710 328296694 /nfs/dbraw/zinc/29/66/94/328296694.db2.gz UHPZWYXBEILAAY-UHFFFAOYSA-N 0 3 276.409 2.303 20 30 CEEDHN CN(C)Cc1ccccc1NC(=O)c1ccnc(C#N)c1 ZINC000580382003 322314100 /nfs/dbraw/zinc/31/41/00/322314100.db2.gz HORZQCCSKKBOJZ-UHFFFAOYSA-N 0 3 280.331 2.267 20 30 CEEDHN C#Cc1ccc(CN2CCC3(C[C@H]3C(=O)OC)CC2)cc1 ZINC000290036060 328528482 /nfs/dbraw/zinc/52/84/82/328528482.db2.gz NSIIDHXMXGJMCK-INIZCTEOSA-N 0 3 283.371 2.443 20 30 CEEDHN CN(Cc1cc(F)c(F)c(F)c1)C(=O)[C@@H](N)CCCC#N ZINC000517746887 326821752 /nfs/dbraw/zinc/82/17/52/326821752.db2.gz FVHHDSLZCQMKJC-LBPRGKRZSA-N 0 3 299.296 2.083 20 30 CEEDHN C#CC[C@@H](NC(=O)[C@@H](CC)N(C)C)c1ccccc1 ZINC000298681048 326919671 /nfs/dbraw/zinc/91/96/71/326919671.db2.gz UQZFOAAMLNBCGI-HUUCEWRRSA-N 0 3 258.365 2.207 20 30 CEEDHN CC1CC(C#N)(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)C1 ZINC000557643179 327018598 /nfs/dbraw/zinc/01/85/98/327018598.db2.gz HKEHBCDJFRIUQX-IQXANGCESA-N 0 3 275.396 2.011 20 30 CEEDHN C=C(C)CCNC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000564938076 327196004 /nfs/dbraw/zinc/19/60/04/327196004.db2.gz OOPSCTHUTNGLFW-HNNXBMFYSA-N 0 3 273.380 2.220 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cccc(Cl)c1 ZINC000294061721 327203394 /nfs/dbraw/zinc/20/33/94/327203394.db2.gz VCIBSCFCCKLBKV-UHFFFAOYSA-N 0 3 264.756 2.025 20 30 CEEDHN C=CCCCCN1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000560222079 327291006 /nfs/dbraw/zinc/29/10/06/327291006.db2.gz ICKMYGLZCOXOFY-CYBMUJFWSA-N 0 3 259.415 2.242 20 30 CEEDHN CC(C)[C@@H](NCC1(C#N)CC1)C1(CO)CCCC1 ZINC000459542906 331286739 /nfs/dbraw/zinc/28/67/39/331286739.db2.gz OOSIZHIUKSNEBC-CYBMUJFWSA-N 0 3 250.386 2.457 20 30 CEEDHN C(=N/OCC1CC1)\c1ccc(N2CCOCC2)cc1 ZINC000123822850 327378434 /nfs/dbraw/zinc/37/84/34/327378434.db2.gz MXRJMDOPHZFVGV-LFIBNONCSA-N 0 3 260.337 2.284 20 30 CEEDHN CC(C)(C)[C@](C)(C#N)NC(=O)C1CCN(C2CC2)CC1 ZINC000331401606 328739101 /nfs/dbraw/zinc/73/91/01/328739101.db2.gz ACJYQHAGVRZVJT-INIZCTEOSA-N 0 3 277.412 2.305 20 30 CEEDHN CC(C)(CCC#N)CNC(=O)NC[C@@H](N)c1ccccc1 ZINC000418205483 328955881 /nfs/dbraw/zinc/95/58/81/328955881.db2.gz MZZMAQUWNAQNGI-CQSZACIVSA-N 0 3 288.395 2.316 20 30 CEEDHN CN1CC[C@@H](NC(=O)CC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000377574739 329019370 /nfs/dbraw/zinc/01/93/70/329019370.db2.gz XWSURKPTQALCRW-GDBMZVCRSA-N 0 3 285.391 2.488 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N1CCCC12CCN(C)CC2)OCC ZINC000378332799 329046327 /nfs/dbraw/zinc/04/63/27/329046327.db2.gz CKWQNDRFMXCAKB-OAHLLOKOSA-N 0 3 294.439 2.445 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@@H]2C2CC2)CC1 ZINC000176015484 329173352 /nfs/dbraw/zinc/17/33/52/329173352.db2.gz MHXRBYAHWIVETJ-CABCVRRESA-N 0 3 262.397 2.189 20 30 CEEDHN C#CCCCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000176667944 329177861 /nfs/dbraw/zinc/17/78/61/329177861.db2.gz UXFDDKJEOXRHOZ-NVXWUHKLSA-N 0 3 299.418 2.362 20 30 CEEDHN C#CCCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179183466 329205806 /nfs/dbraw/zinc/20/58/06/329205806.db2.gz UHTYNTJAORXZTQ-CVEARBPZSA-N 0 3 285.391 2.144 20 30 CEEDHN C[C@@]1(O)CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000180189049 329218298 /nfs/dbraw/zinc/21/82/98/329218298.db2.gz WZMPOOSPSCGQJR-MRXNPFEDSA-N 0 3 274.364 2.326 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000181099255 329226061 /nfs/dbraw/zinc/22/60/61/329226061.db2.gz DYJOPOBQLYIHRV-GJZGRUSLSA-N 0 3 277.412 2.387 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N(C)CC1CCN(C)CC1 ZINC000185472406 329274094 /nfs/dbraw/zinc/27/40/94/329274094.db2.gz SVOOQOAKSCSFNT-ZDUSSCGKSA-N 0 3 252.402 2.389 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N(C)CCN(C)C1CC1 ZINC000185628610 329328063 /nfs/dbraw/zinc/32/80/63/329328063.db2.gz HBXMXCOJWMHYFG-CYBMUJFWSA-N 0 3 267.417 2.467 20 30 CEEDHN CC(C)(C#N)CCCN1CCCC[C@]1(C)C(N)=O ZINC000185887121 329334380 /nfs/dbraw/zinc/33/43/80/329334380.db2.gz QBTIJVNBMCWRLG-CQSZACIVSA-N 0 3 251.374 2.046 20 30 CEEDHN C=CCC[C@H](O)CN1CC[C@]2(C1)OCc1ccccc12 ZINC000186677422 329347411 /nfs/dbraw/zinc/34/74/11/329347411.db2.gz CIHNQLOSZNCYAB-DOTOQJQBSA-N 0 3 273.376 2.445 20 30 CEEDHN C=C[C@@H](C)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000128240076 329606324 /nfs/dbraw/zinc/60/63/24/329606324.db2.gz CNABWGFKAYJFDR-SHARSMKWSA-N 0 3 279.428 2.467 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCC2(C#N)CCC2)CC1 ZINC000419456034 329730919 /nfs/dbraw/zinc/73/09/19/329730919.db2.gz RANBIWOEGWWLIU-UHFFFAOYSA-N 0 3 290.411 2.020 20 30 CEEDHN C=CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000079078924 329995584 /nfs/dbraw/zinc/99/55/84/329995584.db2.gz WIVBZTHZRBTXBK-UHFFFAOYSA-N 0 3 277.368 2.071 20 30 CEEDHN C=C(CN[C@H](C1CC1)[C@@H]1CNCCO1)c1ccccc1 ZINC000423025119 330165870 /nfs/dbraw/zinc/16/58/70/330165870.db2.gz KQUPECHIFASLCG-DLBZAZTESA-N 0 3 272.392 2.056 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000423178045 330175005 /nfs/dbraw/zinc/17/50/05/330175005.db2.gz FMWQTYAXDVBIEQ-HIFRSBDPSA-N 0 3 288.391 2.256 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000424069674 330219728 /nfs/dbraw/zinc/21/97/28/330219728.db2.gz QFVSZLISLBVIRL-LSDHHAIUSA-N 0 3 271.364 2.371 20 30 CEEDHN CC(C)CCC[C@@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424073627 330220146 /nfs/dbraw/zinc/22/01/46/330220146.db2.gz FPSSTIKGMFUVLG-OLZOCXBDSA-N 0 3 253.390 2.339 20 30 CEEDHN CCC(CC)c1nnc(NC(=O)[C@@H](N)CCCC#N)s1 ZINC000424075082 330220559 /nfs/dbraw/zinc/22/05/59/330220559.db2.gz IQIOUMFLAWKTRH-JTQLQIEISA-N 0 3 295.412 2.401 20 30 CEEDHN CCN(C(=O)[C@H](N)CCCC#N)c1ccc(OC)cc1 ZINC000424078214 330221310 /nfs/dbraw/zinc/22/13/10/330221310.db2.gz DNNRROGIHRMQTN-CQSZACIVSA-N 0 3 275.352 2.069 20 30 CEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000424081883 330223588 /nfs/dbraw/zinc/22/35/88/330223588.db2.gz KWHXVEQBQJAEAY-AAEUAGOBSA-N 0 3 251.374 2.093 20 30 CEEDHN CC(C)c1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424098414 330229994 /nfs/dbraw/zinc/22/99/94/330229994.db2.gz KUUYTXZVQKJORY-HNNXBMFYSA-N 0 3 273.380 2.447 20 30 CEEDHN CCOCc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424114877 330242995 /nfs/dbraw/zinc/24/29/95/330242995.db2.gz SOURBJLFFWTUGE-CQSZACIVSA-N 0 3 275.352 2.183 20 30 CEEDHN CCC[C@@H]1CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424125833 330258960 /nfs/dbraw/zinc/25/89/60/330258960.db2.gz OIJJNRNSTGWCOQ-CHWSQXEVSA-N 0 3 251.374 2.046 20 30 CEEDHN CC(C)CC1(CNC(=O)[C@@H](N)CCCC#N)CCC1 ZINC000424128383 330259547 /nfs/dbraw/zinc/25/95/47/330259547.db2.gz QYFXXVCKEOAOGG-ZDUSSCGKSA-N 0 3 265.401 2.340 20 30 CEEDHN CCC[C@@H]1[C@@H](C)CCCN1C(=O)[C@H](N)CCCC#N ZINC000424127827 330259677 /nfs/dbraw/zinc/25/96/77/330259677.db2.gz QVSKBPGZWFSAIH-BFHYXJOUSA-N 0 3 265.401 2.435 20 30 CEEDHN CCC(C#N)(CC)C(=O)NC1CCN(C2CC2)CC1 ZINC000527763740 330281580 /nfs/dbraw/zinc/28/15/80/330281580.db2.gz RKXNMBLKMPQOBL-UHFFFAOYSA-N 0 3 263.385 2.059 20 30 CEEDHN N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)cc1[O-] ZINC000424172920 330312841 /nfs/dbraw/zinc/31/28/41/330312841.db2.gz DRKSECGYZGSARQ-SECBINFHSA-N 0 3 267.716 2.005 20 30 CEEDHN CC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)CCCC#N ZINC000424180682 330318923 /nfs/dbraw/zinc/31/89/23/330318923.db2.gz OYOOVZBFIAXHQF-CVEARBPZSA-N 0 3 285.391 2.371 20 30 CEEDHN CCC[C@@H]1CCCCN1C(=O)[C@@H](N)CCCC#N ZINC000424181956 330319733 /nfs/dbraw/zinc/31/97/33/330319733.db2.gz SHNWGRGVJWMZIK-OLZOCXBDSA-N 0 3 251.374 2.189 20 30 CEEDHN Cc1ccccc1C[C@H](C)N(C)C(=O)[C@H](N)CCCC#N ZINC000424190217 330322928 /nfs/dbraw/zinc/32/29/28/330322928.db2.gz PBTFCIOEZJIEQZ-GOEBONIOSA-N 0 3 287.407 2.406 20 30 CEEDHN C=CCn1cc(CN[C@H]2CCc3c(cccc3OC)C2)nn1 ZINC000424289663 330334335 /nfs/dbraw/zinc/33/43/35/330334335.db2.gz AAUXLHMYNFBUNJ-AWEZNQCLSA-N 0 3 298.390 2.120 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](c1nccn1C)C1CC1 ZINC000424292321 330335095 /nfs/dbraw/zinc/33/50/95/330335095.db2.gz GLNZGYCHNADSLN-MELADBBJSA-N 0 3 261.369 2.052 20 30 CEEDHN COc1cc(CNCC2(CC#N)CC2)cc2c1OCO2 ZINC000430046480 330558235 /nfs/dbraw/zinc/55/82/35/330558235.db2.gz OBYPYNMTXKPNIQ-UHFFFAOYSA-N 0 3 274.320 2.207 20 30 CEEDHN C=C[C@@H](CO)NCc1cccc2c(OC)cccc12 ZINC000449326913 330914646 /nfs/dbraw/zinc/91/46/46/330914646.db2.gz AEDPYOIMKUJTFA-ZDUSSCGKSA-N 0 3 257.333 2.485 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc2ccc(C)cn12 ZINC000449548756 330935774 /nfs/dbraw/zinc/93/57/74/330935774.db2.gz QKJCBLPGPTXMQA-CABCVRRESA-N 0 3 271.364 2.466 20 30 CEEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)C(=O)NCCc1ccccc1 ZINC000449580178 330938495 /nfs/dbraw/zinc/93/84/95/330938495.db2.gz NTKHPQZOQKBLSN-IMJJTQAJSA-N 0 3 285.391 2.016 20 30 CEEDHN CCNC(=O)C[C@@H]1CCCCN1CC1(C#N)CCC1 ZINC000450938760 331008131 /nfs/dbraw/zinc/00/81/31/331008131.db2.gz JRCXLOVMIWPGJZ-ZDUSSCGKSA-N 0 3 263.385 2.061 20 30 CEEDHN C=CCOCCCN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451283235 331023046 /nfs/dbraw/zinc/02/30/46/331023046.db2.gz NCLXWADZWQMLDI-IRXDYDNUSA-N 0 3 293.382 2.379 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000451597451 331035485 /nfs/dbraw/zinc/03/54/85/331035485.db2.gz IIZHDKXULUSHHI-YUELXQCFSA-N 0 3 280.412 2.099 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(=O)OC)cc1F ZINC000451682069 331038936 /nfs/dbraw/zinc/03/89/36/331038936.db2.gz NVWSXBSYZLXLIR-CABCVRRESA-N 0 3 293.338 2.436 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCCC[C@H]1CC ZINC000451682120 331039007 /nfs/dbraw/zinc/03/90/07/331039007.db2.gz QCTWNMHFIIMIFH-KFWWJZLASA-N 0 3 280.412 2.101 20 30 CEEDHN CC[C@@H]1CC[C@H](C)N(CC(=O)N(CC)CCC#N)C1 ZINC000451954064 331048135 /nfs/dbraw/zinc/04/81/35/331048135.db2.gz MDSNBJZFBJYWBT-UONOGXRCSA-N 0 3 265.401 2.259 20 30 CEEDHN C=C(C)CN1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC000451993018 331049648 /nfs/dbraw/zinc/04/96/48/331049648.db2.gz ISUQUZAXESQMCL-GJZGRUSLSA-N 0 3 259.349 2.451 20 30 CEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)[C@]1(C#N)C[C@@H]1C ZINC000452345346 331062909 /nfs/dbraw/zinc/06/29/09/331062909.db2.gz QPRDCTJWZJDVGJ-DZKIICNBSA-N 0 3 277.412 2.163 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)C(F)F)CC1 ZINC000454462829 331146748 /nfs/dbraw/zinc/14/67/48/331146748.db2.gz LBGMOMOLUNSBCJ-GFCCVEGCSA-N 0 3 289.370 2.370 20 30 CEEDHN C=C(C)CCNC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000454644924 331150306 /nfs/dbraw/zinc/15/03/06/331150306.db2.gz OTGNJURSBGSIKH-KGLIPLIRSA-N 0 3 267.417 2.372 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)Nc1cccc(CC#N)c1 ZINC000455912231 331180674 /nfs/dbraw/zinc/18/06/74/331180674.db2.gz WVXIZWZNUBCUKL-UHFFFAOYSA-N 0 3 274.368 2.214 20 30 CEEDHN CC[C@H](O)[C@H](CC)NC(=O)C(C#N)CCc1ccccc1 ZINC000456660463 331198505 /nfs/dbraw/zinc/19/85/05/331198505.db2.gz JHJMSDJYVWODMS-PMPSAXMXSA-N 0 3 288.391 2.425 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H](O)C1CCC1 ZINC000456849020 331207425 /nfs/dbraw/zinc/20/74/25/331207425.db2.gz APASSSMQNBVYEU-HOTGVXAUSA-N 0 3 286.375 2.036 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H](O)C1CCC1 ZINC000456849022 331207465 /nfs/dbraw/zinc/20/74/65/331207465.db2.gz APASSSMQNBVYEU-JKSUJKDBSA-N 0 3 286.375 2.036 20 30 CEEDHN CC#CCN(C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000457925211 331237688 /nfs/dbraw/zinc/23/76/88/331237688.db2.gz JUSAGJTZDZFKGK-RDJZCZTQSA-N 0 3 299.418 2.487 20 30 CEEDHN C[C@H](CNC(=O)NCC(C)(C)CC#N)N1CCC(C)CC1 ZINC000458043039 331241566 /nfs/dbraw/zinc/24/15/66/331241566.db2.gz GVBVGZCIMLQKAB-CQSZACIVSA-N 0 3 294.443 2.346 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458732685 331258271 /nfs/dbraw/zinc/25/82/71/331258271.db2.gz LKJCABLIMHWGNU-GDBMZVCRSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CCCCNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458740968 331258818 /nfs/dbraw/zinc/25/88/18/331258818.db2.gz YZMJYMYVEJYEGK-OAHLLOKOSA-N 0 3 265.401 2.080 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458744761 331258928 /nfs/dbraw/zinc/25/89/28/331258928.db2.gz WREZVABZLUCSBW-KGLIPLIRSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000458985981 331264136 /nfs/dbraw/zinc/26/41/36/331264136.db2.gz JRMQLNZFUPQGAJ-QWHCGFSZSA-N 0 3 267.417 2.323 20 30 CEEDHN C=C(CC)CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000459084533 331269790 /nfs/dbraw/zinc/26/97/90/331269790.db2.gz ULFYGBPTKJNFSO-QWHCGFSZSA-N 0 3 253.390 2.077 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)NCC(C)(C)CC#N)C1 ZINC000459229757 331272246 /nfs/dbraw/zinc/27/22/46/331272246.db2.gz FFPXNOXOTXOESV-CYBMUJFWSA-N 0 3 280.416 2.050 20 30 CEEDHN CC(C)CN(CCN(C)C)C(=O)NCC(C)(C)CC#N ZINC000459240053 331272682 /nfs/dbraw/zinc/27/26/82/331272682.db2.gz VHILEHTXDOENMO-UHFFFAOYSA-N 0 3 282.432 2.155 20 30 CEEDHN CC(C)(C)OC(=O)[C@]1(C)CCN(CCCC#N)C1 ZINC000459571289 331288519 /nfs/dbraw/zinc/28/85/19/331288519.db2.gz CJAFNDOBCIIMEV-CQSZACIVSA-N 0 3 252.358 2.344 20 30 CEEDHN C=CCN(C(=O)[C@@H](C)[C@H](N)c1ccccc1)C1CC1 ZINC000165284782 331306085 /nfs/dbraw/zinc/30/60/85/331306085.db2.gz NPARKEJNIOHMQM-WFASDCNBSA-N 0 3 258.365 2.500 20 30 CEEDHN C[C@@H]1[C@H](CO)CCN1CC#Cc1ccc(Cl)cc1 ZINC000488768875 332024856 /nfs/dbraw/zinc/02/48/56/332024856.db2.gz XUXDYMXHFRTLPB-OCCSQVGLSA-N 0 3 263.768 2.394 20 30 CEEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)NCCCCC#N)C[C@@H](C)C1 ZINC000488848075 332029216 /nfs/dbraw/zinc/02/92/16/332029216.db2.gz DGARIXANFJQRBJ-KKUMJFAQSA-N 0 3 292.427 2.052 20 30 CEEDHN CC(C#N)C(=O)N(C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000489427155 332051629 /nfs/dbraw/zinc/05/16/29/332051629.db2.gz OKDLYWCKBLMJEA-IHRRRGAJSA-N 0 3 274.364 2.159 20 30 CEEDHN C=C[C@H]1CCCCN1CCC(=O)N1CCC[C@H]1C ZINC000489468170 332054665 /nfs/dbraw/zinc/05/46/65/332054665.db2.gz AQQQZLVPIOXONJ-KGLIPLIRSA-N 0 3 250.386 2.428 20 30 CEEDHN CC(C)Oc1ccc([C@@H](CNC(=O)CC#N)N(C)C)cc1 ZINC000489956578 332074307 /nfs/dbraw/zinc/07/43/07/332074307.db2.gz AZKIQWVRLWIXDD-OAHLLOKOSA-N 0 3 289.379 2.106 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc3n[nH]cc3c(C)c2)CC1 ZINC000490875529 332123961 /nfs/dbraw/zinc/12/39/61/332123961.db2.gz QISNJYAXQROIPZ-UHFFFAOYSA-N 0 3 296.374 2.155 20 30 CEEDHN C#CCN(CC#CC)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000491106685 332150634 /nfs/dbraw/zinc/15/06/34/332150634.db2.gz YTKXOJYNMDJWDF-UHFFFAOYSA-N 0 3 294.398 2.381 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc2ncsc2c1 ZINC000491120819 332152428 /nfs/dbraw/zinc/15/24/28/332152428.db2.gz NXFZDPDJJRVPCX-NSHDSACASA-N 0 3 287.388 2.086 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccccc1OC(C)C ZINC000491166523 332160294 /nfs/dbraw/zinc/16/02/94/332160294.db2.gz SAKMFQXUNCUVCC-AWEZNQCLSA-N 0 3 288.391 2.264 20 30 CEEDHN C#CCN(C)CCCN[C@@H](C)c1ncccc1CC ZINC000491210309 332166948 /nfs/dbraw/zinc/16/69/48/332166948.db2.gz SCTMMYUCCKIHPW-AWEZNQCLSA-N 0 3 259.397 2.250 20 30 CEEDHN C#C[C@H](CCC)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000491240544 332172057 /nfs/dbraw/zinc/17/20/57/332172057.db2.gz AOJHPPRWJYQERB-XDQVBPFNSA-N 0 3 250.386 2.166 20 30 CEEDHN C#CCNC(=O)CCN[C@H]1CCSc2ccc(F)cc21 ZINC000491241058 332172281 /nfs/dbraw/zinc/17/22/81/332172281.db2.gz GHXOZEKSKZXELK-ZDUSSCGKSA-N 0 3 292.379 2.092 20 30 CEEDHN C#C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)c1ccc(F)cc1 ZINC000491243877 332173671 /nfs/dbraw/zinc/17/36/71/332173671.db2.gz ZUWSBVPHSGIDSR-HUUCEWRRSA-N 0 3 276.355 2.202 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000491414568 332207428 /nfs/dbraw/zinc/20/74/28/332207428.db2.gz DBYQTERULRHSGK-RDJZCZTQSA-N 0 3 299.418 2.314 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000491440559 332211917 /nfs/dbraw/zinc/21/19/17/332211917.db2.gz PLUGCYDSJMTMGC-WBVHZDCISA-N 0 3 299.418 2.172 20 30 CEEDHN C#CCN(C)CCCNC(=O)C/C=C\c1ccc(F)cc1 ZINC000491462046 332215927 /nfs/dbraw/zinc/21/59/27/332215927.db2.gz GLVPRQAXTPQHSY-XQRVVYSFSA-N 0 3 288.366 2.300 20 30 CEEDHN C#C[C@@H](C)N(C)Cc1ccccc1N1CCO[C@H](C)C1 ZINC000491474770 332218422 /nfs/dbraw/zinc/21/84/22/332218422.db2.gz PVNMRYLJMVCKMF-HUUCEWRRSA-N 0 3 272.392 2.365 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)/C=C\c2ccncc2)CC1 ZINC000491550095 332236097 /nfs/dbraw/zinc/23/60/97/332236097.db2.gz YIZHRFWLCVZDKD-ARJAWSKDSA-N 0 3 285.391 2.252 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1ccc(C)cc1Cl ZINC000491555761 332237731 /nfs/dbraw/zinc/23/77/31/332237731.db2.gz TXUDQQFFBKDKNH-UHFFFAOYSA-N 0 3 292.810 2.262 20 30 CEEDHN C#CCN(C(=O)NC[C@@H](N)c1ccccc1CC)C1CC1 ZINC000491565828 332238702 /nfs/dbraw/zinc/23/87/02/332238702.db2.gz COKVLQOIWLOOOL-MRXNPFEDSA-N 0 3 285.391 2.056 20 30 CEEDHN C#CCNN=C1CCN(Cc2ccccc2)C[C@@H]1C ZINC000491634296 332255598 /nfs/dbraw/zinc/25/55/98/332255598.db2.gz SLTJGQXGXNKICM-AWEZNQCLSA-N 0 3 255.365 2.107 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](CC)[C@@H]2CC2(C)C)CC1 ZINC000491638076 332258759 /nfs/dbraw/zinc/25/87/59/332258759.db2.gz XWBJZTXNOQVWGS-LSDHHAIUSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCN(C[C@@H](O)CN(C)C1CC1)[C@@H]1CCc2ccccc21 ZINC000491689158 332286776 /nfs/dbraw/zinc/28/67/76/332286776.db2.gz GVMCMMFURVHGPC-PKOBYXMFSA-N 0 3 298.430 2.064 20 30 CEEDHN C#C[C@H](NC(=O)CN(C)C(C)C)c1ccc(Cl)cc1 ZINC000491709120 332301544 /nfs/dbraw/zinc/30/15/44/332301544.db2.gz PWSYXPYRBYPXBY-AWEZNQCLSA-N 0 3 278.783 2.471 20 30 CEEDHN C#C[C@@H](CC)NCc1ccc(COCCOC)cc1 ZINC000491737340 332317232 /nfs/dbraw/zinc/31/72/32/332317232.db2.gz ODADGTIRSQOVEL-INIZCTEOSA-N 0 3 261.365 2.351 20 30 CEEDHN C#CC(C)(C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000491768398 332335867 /nfs/dbraw/zinc/33/58/67/332335867.db2.gz JAOYBOBUSBQREM-AWEZNQCLSA-N 0 3 258.365 2.207 20 30 CEEDHN C#C[C@H](NC(=O)N1CCCN(C(C)(C)C)CC1)C(C)C ZINC000491817691 332368161 /nfs/dbraw/zinc/36/81/61/332368161.db2.gz OSFXPWQOOANFIC-AWEZNQCLSA-N 0 3 279.428 2.160 20 30 CEEDHN CN(C)C/C=C\C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000492239844 332388713 /nfs/dbraw/zinc/38/87/13/332388713.db2.gz QZGVJEZZOUSPSE-QARUFBMTSA-N 0 3 271.364 2.265 20 30 CEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)/C=C\CN(C)C ZINC000493716485 332451066 /nfs/dbraw/zinc/45/10/66/332451066.db2.gz CDJCNEVLZQSFIF-IYCSXQJISA-N 0 3 272.392 2.408 20 30 CEEDHN C[C@H]1Cc2cc(C(=O)C(C#N)c3ccncn3)ccc2O1 ZINC000516980986 333088830 /nfs/dbraw/zinc/08/88/30/333088830.db2.gz FOMYAJXRUBLQBN-GXFFZTMASA-N 0 3 279.299 2.290 20 30 CEEDHN C#CCN(C[C@H]1CC2(CCC2)C(=O)O1)C1CCCC1 ZINC000192068812 333229284 /nfs/dbraw/zinc/22/92/84/333229284.db2.gz PKJWUNFGEWDPIT-CQSZACIVSA-N 0 3 261.365 2.350 20 30 CEEDHN C#C[C@H](CC)NCc1cc(OC)c(OC)c(OC)c1 ZINC000229899933 333311166 /nfs/dbraw/zinc/31/11/66/333311166.db2.gz MWDWCWYHLQMWSC-GFCCVEGCSA-N 0 3 263.337 2.214 20 30 CEEDHN C=C(C)COCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000125817082 333575641 /nfs/dbraw/zinc/57/56/41/333575641.db2.gz MBYKNTUWUGIRDV-UHFFFAOYSA-N 0 3 280.324 2.286 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000135010927 334112213 /nfs/dbraw/zinc/11/22/13/334112213.db2.gz GCAOLTOUMPPBCS-ZFWWWQNUSA-N 0 3 250.386 2.285 20 30 CEEDHN COC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000548755986 334170079 /nfs/dbraw/zinc/17/00/79/334170079.db2.gz XMHLXGROLGRBNL-JKSUJKDBSA-N 0 3 299.374 2.028 20 30 CEEDHN N#CC1(NC(=O)CN2CC[C@@H](CC3CC3)C2)CCCCC1 ZINC000550029528 334211624 /nfs/dbraw/zinc/21/16/24/334211624.db2.gz UMEBUFYIIDTMAC-HNNXBMFYSA-N 0 3 289.423 2.451 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCSC[C@H](C)C1 ZINC000249030812 334325021 /nfs/dbraw/zinc/32/50/21/334325021.db2.gz 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2.439 20 30 CEEDHN C#C[C@@H](C)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000309912527 628140970 /nfs/dbraw/zinc/14/09/70/628140970.db2.gz NMISHRPGRXFCDM-MRVPVSSYSA-N 0 3 284.153 2.275 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccn(CC)c2C)C1 ZINC001008271735 628265190 /nfs/dbraw/zinc/26/51/90/628265190.db2.gz WCYIDECIUPONLG-HNNXBMFYSA-N 0 3 287.407 2.034 20 30 CEEDHN C[C@@H]1CN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@@H](C)N1CC#N ZINC000930829344 628282045 /nfs/dbraw/zinc/28/20/45/628282045.db2.gz SSVQZFRZEYTASV-XGFWRYKXSA-N 0 3 283.366 2.196 20 30 CEEDHN C=C(Br)CNC1CCC(NC(=O)CC)CC1 ZINC001026433462 628298229 /nfs/dbraw/zinc/29/82/29/628298229.db2.gz JSJFXOGWVFCYBE-UHFFFAOYSA-N 0 3 289.217 2.322 20 30 CEEDHN CC(C)=CC(=O)N1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001026659139 628474234 /nfs/dbraw/zinc/47/42/34/628474234.db2.gz QGGROIWKJOBEBO-HNNXBMFYSA-N 0 3 297.402 2.463 20 30 CEEDHN COC[C@H](C)NN=C1CCCC[C@@H]1N1CCCCC1 ZINC000777890455 628626987 /nfs/dbraw/zinc/62/69/87/628626987.db2.gz CAARXMCZOMIILS-ZFWWWQNUSA-N 0 3 267.417 2.395 20 30 CEEDHN C=CCOCCNCc1c(C)nn(C(C)C)c1C ZINC000893476325 628643419 /nfs/dbraw/zinc/64/34/19/628643419.db2.gz XHALVNZKSVJANB-UHFFFAOYSA-N 0 3 251.374 2.373 20 30 CEEDHN N#Cc1cncc(CN2CC[C@@H]3CSC[C@H]3C2)c1 ZINC000931551666 628692683 /nfs/dbraw/zinc/69/26/83/628692683.db2.gz ZCKWVKASSWQMDT-ZIAGYGMSSA-N 0 3 259.378 2.138 20 30 CEEDHN CCOC(=O)[C@H](C)[C@H](C)NCc1csc(C#N)c1 ZINC000893553955 628736534 /nfs/dbraw/zinc/73/65/34/628736534.db2.gz RAMDNUPYECGSNL-ZJUUUORDSA-N 0 3 266.366 2.297 20 30 CEEDHN N#CCC1(CNC2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000894198030 629204166 /nfs/dbraw/zinc/20/41/66/629204166.db2.gz SGKIAMGVLRUHSG-UHFFFAOYSA-N 0 3 299.374 2.291 20 30 CEEDHN C=CCN(CC=C)C[C@@H]1CC2(CO1)CCOCC2 ZINC000877958186 629217913 /nfs/dbraw/zinc/21/79/13/629217913.db2.gz IUHYJDNEOZOHTK-AWEZNQCLSA-N 0 3 251.370 2.246 20 30 CEEDHN C[C@H](CC(C)(C)C#N)N[C@@H](C)C(=O)NCc1ccco1 ZINC000925031242 629383997 /nfs/dbraw/zinc/38/39/97/629383997.db2.gz XGOPKABOSWJXOR-NEPJUHHUSA-N 0 3 277.368 2.202 20 30 CEEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1csc(C#N)c1 ZINC000894407805 629440114 /nfs/dbraw/zinc/44/01/14/629440114.db2.gz WGWLDVRQYIUWCW-WPTOEGHWSA-N 0 3 274.389 2.475 20 30 CEEDHN C=C(C)[C@@H](CO)N1CC[C@@H](c2nc(C)cs2)C1 ZINC000880010014 629447814 /nfs/dbraw/zinc/44/78/14/629447814.db2.gz RRDPUACUGCBWLP-VXGBXAGGSA-N 0 3 252.383 2.178 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc([O-])c(F)c1 ZINC000894737681 629612896 /nfs/dbraw/zinc/61/28/96/629612896.db2.gz CUUGCWXJBZJNMA-OCCSQVGLSA-N 0 3 251.301 2.355 20 30 CEEDHN CN(C)CC#CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000894876789 629711014 /nfs/dbraw/zinc/71/10/14/629711014.db2.gz RVOFPGBHINHXTP-UHFFFAOYSA-N 0 3 284.319 2.120 20 30 CEEDHN CN1CCN(c2ccc(C#N)cn2)C[C@H]1C(C)(C)C ZINC000895100235 629895567 /nfs/dbraw/zinc/89/55/67/629895567.db2.gz SGHHYNIIKJPYII-ZDUSSCGKSA-N 0 3 258.369 2.120 20 30 CEEDHN C#CCCN(CC(=O)N1CCCCCC1)C(C)C ZINC000796601816 629945136 /nfs/dbraw/zinc/94/51/36/629945136.db2.gz MXURPCOORUZFPW-UHFFFAOYSA-N 0 3 250.386 2.123 20 30 CEEDHN Cc1ccc([C@H](C)C[NH2+][C@H]2CCCN([O-])C2=O)cc1 ZINC000895157731 629974256 /nfs/dbraw/zinc/97/42/56/629974256.db2.gz SISWJJYJIDGZGC-OCCSQVGLSA-N 0 3 262.353 2.068 20 30 CEEDHN C[C@H]([NH2+][C@H]1CCCN([O-])C1=O)[C@H]1CC2CCC1CC2 ZINC000895158470 629976013 /nfs/dbraw/zinc/97/60/13/629976013.db2.gz JTBJXUMXYYBQFK-MGYRSQIZSA-N 0 3 266.385 2.171 20 30 CEEDHN C[C@@H]([NH2+][C@@H]1CCCN([O-])C1=O)[C@H]1CCCC[C@H]1C ZINC000895160037 629977363 /nfs/dbraw/zinc/97/73/63/629977363.db2.gz ZOPXIIWMHHSBGT-FVCCEPFGSA-N 0 3 254.374 2.171 20 30 CEEDHN COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCCN([O-])C2=O)cc1 ZINC000895160674 629978016 /nfs/dbraw/zinc/97/80/16/629978016.db2.gz OGPYDGIKGHRCRW-XUJVJEKNSA-N 0 3 292.379 2.157 20 30 CEEDHN C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895161010 629979176 /nfs/dbraw/zinc/97/91/76/629979176.db2.gz QGORYEHBQOKVHG-ZYHUDNBSSA-N 0 3 268.382 2.039 20 30 CEEDHN Cn1c(=O)ccc2c1CCC[C@H]2NCC#Cc1ccccc1 ZINC000895187588 630021366 /nfs/dbraw/zinc/02/13/66/630021366.db2.gz UEDDCPWJAQGFFD-QGZVFWFLSA-N 0 3 292.382 2.404 20 30 CEEDHN COc1nccc(CNCCc2ccc(C#N)cc2)c1F ZINC000895311281 630099812 /nfs/dbraw/zinc/09/98/12/630099812.db2.gz XPQYNXDTAYAWGV-UHFFFAOYSA-N 0 3 285.322 2.433 20 30 CEEDHN C#CC1(O)CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000895380949 630152570 /nfs/dbraw/zinc/15/25/70/630152570.db2.gz UCDVUILUKMENMM-UHFFFAOYSA-N 0 3 299.349 2.176 20 30 CEEDHN C#CC1(O)CCN(Cc2cc3ccccc3o2)CC1 ZINC000895380968 630152617 /nfs/dbraw/zinc/15/26/17/630152617.db2.gz UNSOFMRYDSYTHR-UHFFFAOYSA-N 0 3 255.317 2.393 20 30 CEEDHN C#CC1(O)CCN(Cc2cccc3c2NCCC3)CC1 ZINC000895385855 630157622 /nfs/dbraw/zinc/15/76/22/630157622.db2.gz MXIKYRJSYUQNOI-UHFFFAOYSA-N 0 3 270.376 2.005 20 30 CEEDHN C[C@H]1[C@@H](Nc2cc(Br)cnc2C#N)CCN1C ZINC000895736312 630326720 /nfs/dbraw/zinc/32/67/20/630326720.db2.gz KHHLKWHJKMWUOI-WPRPVWTQSA-N 0 3 295.184 2.220 20 30 CEEDHN N#Cc1ccc2ncc(CN3C[C@@H]4CSC[C@@H]4C3)n2c1 ZINC000895779665 630348428 /nfs/dbraw/zinc/34/84/28/630348428.db2.gz RWAIJPMTYHVCHH-BETUJISGSA-N 0 3 284.388 2.001 20 30 CEEDHN C=C1CCC(C(=O)N[C@@H]2CCCN(CC)C2)CC1 ZINC000895834055 630370768 /nfs/dbraw/zinc/37/07/68/630370768.db2.gz OFRAMRRYBHIALU-CQSZACIVSA-N 0 3 250.386 2.333 20 30 CEEDHN CCCCCCCS(=O)(=O)NC[C@@H](C)N1CCCC1 ZINC000799759970 631074999 /nfs/dbraw/zinc/07/49/99/631074999.db2.gz ADAOYPUAKHQCGO-CQSZACIVSA-N 0 3 290.473 2.361 20 30 CEEDHN CC[C@@H](N[C@H]1CCCN(C)C1=O)c1cccc(C#N)c1 ZINC000902832313 634850449 /nfs/dbraw/zinc/85/04/49/634850449.db2.gz SOCONQCBHXGRTN-CABCVRRESA-N 0 3 271.364 2.220 20 30 CEEDHN Cc1ccc([C@H](C)NCCO[C@@H](C)C#N)cc1[N+](=O)[O-] ZINC000801938683 631364377 /nfs/dbraw/zinc/36/43/77/631364377.db2.gz HOLCCODXDBSRMX-RYUDHWBXSA-N 0 3 277.324 2.483 20 30 CEEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)s2)CN1C(=O)C1CC1 ZINC000987686577 631443292 /nfs/dbraw/zinc/44/32/92/631443292.db2.gz WQSDCBZWMXWCLD-CMPLNLGQSA-N 0 3 289.404 2.109 20 30 CEEDHN C=CCCn1cc(CNCC(C)(C)C2CCOCC2)nn1 ZINC000897441260 631519571 /nfs/dbraw/zinc/51/95/71/631519571.db2.gz BDZJKBXAMCYTRU-UHFFFAOYSA-N 0 3 292.427 2.397 20 30 CEEDHN C=C(C)CNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000897444283 631521769 /nfs/dbraw/zinc/52/17/69/631521769.db2.gz AAQUHGRFJONODV-HNNXBMFYSA-N 0 3 276.380 2.427 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2nccc3ccsc32)C1 ZINC000988985478 631713454 /nfs/dbraw/zinc/71/34/54/631713454.db2.gz KSPYMJJKPCLBMA-AAEUAGOBSA-N 0 3 299.399 2.122 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2oc(C(F)F)cc2C)C1 ZINC000988991480 631714793 /nfs/dbraw/zinc/71/47/93/631714793.db2.gz WELBHNFBNCSUFF-QWRGUYRKSA-N 0 3 296.317 2.351 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C)cc(Cl)c2)C1 ZINC000989186888 631745812 /nfs/dbraw/zinc/74/58/12/631745812.db2.gz IXCQFGYLLLYAJP-IUODEOHRSA-N 0 3 290.794 2.474 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000897576679 631793466 /nfs/dbraw/zinc/79/34/66/631793466.db2.gz MAOFEDYBHDBJNX-KRWDZBQOSA-N 0 3 282.387 2.415 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc(Cl)c2F)C1 ZINC000989380140 631802529 /nfs/dbraw/zinc/80/25/29/631802529.db2.gz LLOKYMCEWCDOMG-MNOVXSKESA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(CCC)cc2)C1 ZINC000989380103 631803749 /nfs/dbraw/zinc/80/37/49/631803749.db2.gz BBBJZMZHYIUBRC-YOEHRIQHSA-N 0 3 284.403 2.465 20 30 CEEDHN C=CCC[C@@H](CC)[NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898156362 632073632 /nfs/dbraw/zinc/07/36/32/632073632.db2.gz DTQRBKZNCMPCKR-CHWSQXEVSA-N 0 3 276.384 2.095 20 30 CEEDHN C#Cc1ccc(CN2CCC(OC(C)=O)CC2)cc1 ZINC000809577781 632103222 /nfs/dbraw/zinc/10/32/22/632103222.db2.gz DALHCKZRAGZOJJ-UHFFFAOYSA-N 0 3 257.333 2.195 20 30 CEEDHN N#CC[C@@H](O)CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000809578878 632105307 /nfs/dbraw/zinc/10/53/07/632105307.db2.gz SZFXESWUXPOQKP-FVQBIDKESA-N 0 3 274.364 2.018 20 30 CEEDHN CC(C)N1CCCN(C(=O)c2cc(C#N)ccc2F)CC1 ZINC000825768823 635711629 /nfs/dbraw/zinc/71/16/29/635711629.db2.gz ZPCVCPSRCGMUKF-UHFFFAOYSA-N 0 3 289.354 2.254 20 30 CEEDHN C#C[C@H](CC)NCc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000809686374 632128440 /nfs/dbraw/zinc/12/84/40/632128440.db2.gz OTGSGYNWJJPIEV-OAHLLOKOSA-N 0 3 289.375 2.357 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc(F)c2Cl)C1 ZINC000989480072 632184078 /nfs/dbraw/zinc/18/40/78/632184078.db2.gz HSJKSUVLGPRRID-GHMZBOCLSA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2coc3ccccc23)C1 ZINC000989610259 632211584 /nfs/dbraw/zinc/21/15/84/632211584.db2.gz ZDZLRZQPOIHFTL-DZGCQCFKSA-N 0 3 296.370 2.188 20 30 CEEDHN C#CCCN1CCCN(C(=O)Cc2ccc(C)c(C)c2)CC1 ZINC000989622272 632214402 /nfs/dbraw/zinc/21/44/02/632214402.db2.gz RRCMXBBCBCLBIT-UHFFFAOYSA-N 0 3 298.430 2.404 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccoc2CCC)C1 ZINC000989677757 632222643 /nfs/dbraw/zinc/22/26/43/632222643.db2.gz ZCTJXUUHNYGCTN-OLZOCXBDSA-N 0 3 274.364 2.058 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(C)cc(C)c2)C1 ZINC000989721662 632231405 /nfs/dbraw/zinc/23/14/05/632231405.db2.gz DMWNMUQPIFUBRI-HOCLYGCPSA-N 0 3 270.376 2.129 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2ccccc2Cl)C1 ZINC000989755975 632239885 /nfs/dbraw/zinc/23/98/85/632239885.db2.gz SQWCMPHESRALQN-OCCSQVGLSA-N 0 3 290.794 2.095 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000989780226 632242242 /nfs/dbraw/zinc/24/22/42/632242242.db2.gz ZSHSYJWSGRYMRB-GUYCJALGSA-N 0 3 282.387 2.001 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CC(C2CC2)C2CC2)C1 ZINC000989832722 632248145 /nfs/dbraw/zinc/24/81/45/632248145.db2.gz WHFMPYKXUHQICZ-SWLSCSKDSA-N 0 3 274.408 2.025 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CC(C2CC2)C2CC2)C1 ZINC000989832721 632248378 /nfs/dbraw/zinc/24/83/78/632248378.db2.gz WHFMPYKXUHQICZ-IUODEOHRSA-N 0 3 274.408 2.025 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)C3CCCC3)CCC[C@@H]12 ZINC000989897344 632274849 /nfs/dbraw/zinc/27/48/49/632274849.db2.gz RNMGBVKYUMOCLY-ZBFHGGJFSA-N 0 3 262.397 2.476 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccoc3)CCC[C@H]12 ZINC000989954738 632288901 /nfs/dbraw/zinc/28/89/01/632288901.db2.gz RSYZUNMYEOLOFO-DZGCQCFKSA-N 0 3 260.337 2.192 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)C3CC=CC3)CCC[C@@H]12 ZINC000990096964 632310907 /nfs/dbraw/zinc/31/09/07/632310907.db2.gz QAHVMRUXDGZDBC-WBVHZDCISA-N 0 3 272.392 2.089 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccncc3F)CCC[C@@H]12 ZINC000990097954 632313951 /nfs/dbraw/zinc/31/39/51/632313951.db2.gz WJSFLWXHOQYAFN-ZBFHGGJFSA-N 0 3 289.354 2.134 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3cnccc3C)CCC[C@@H]12 ZINC000990121639 632316736 /nfs/dbraw/zinc/31/67/36/632316736.db2.gz RAWOGMAVLWMPQL-WBVHZDCISA-N 0 3 285.391 2.303 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H](C)n3cccc3)CCC[C@H]12 ZINC000990236985 632328367 /nfs/dbraw/zinc/32/83/67/632328367.db2.gz MYJRWFQEYQEMKO-SOLBZPMBSA-N 0 3 299.418 2.186 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3c(C)ccn3C)CCC[C@@H]12 ZINC000990438850 632356115 /nfs/dbraw/zinc/35/61/15/632356115.db2.gz SQQXPBNJBRVDMK-CRAIPNDOSA-N 0 3 299.418 2.084 20 30 CEEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCC#N)c1 ZINC000813060140 632612026 /nfs/dbraw/zinc/61/20/26/632612026.db2.gz QOVLOAFHZGIKRS-ZDUSSCGKSA-N 0 3 285.303 2.036 20 30 CEEDHN N#CCCCC(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000813070267 632614022 /nfs/dbraw/zinc/61/40/22/632614022.db2.gz QSJJICOBFTXRSC-HNNXBMFYSA-N 0 3 272.348 2.498 20 30 CEEDHN CC(COC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[N+](=O)[O-] ZINC000813107564 632624510 /nfs/dbraw/zinc/62/45/10/632624510.db2.gz TWHJOYWMYMFTEL-SECBINFHSA-N 0 3 294.282 2.183 20 30 CEEDHN Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)nc(N)n1 ZINC000042099871 632633634 /nfs/dbraw/zinc/63/36/34/632633634.db2.gz DLPDLGOZVXZAPS-JTQLQIEISA-N 0 3 253.309 2.412 20 30 CEEDHN COC(=O)c1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1C ZINC000899379959 632821887 /nfs/dbraw/zinc/82/18/87/632821887.db2.gz DMGNFODBMZJIMQ-QVASGMJFSA-N 0 3 297.314 2.214 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000817618130 633708269 /nfs/dbraw/zinc/70/82/69/633708269.db2.gz VHPDUFAGIMQJSJ-HNNXBMFYSA-N 0 3 283.391 2.207 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1ccc2c(c1)CCCC2 ZINC000818609032 633958633 /nfs/dbraw/zinc/95/86/33/633958633.db2.gz HCROJKNGRLCVSX-UHFFFAOYSA-N 0 3 298.430 2.179 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000819633263 634230747 /nfs/dbraw/zinc/23/07/47/634230747.db2.gz CMBHDESXFIGOMA-MYPMTAMASA-N 0 3 298.342 2.099 20 30 CEEDHN C=CCN1CCC(Nc2ccc(Cl)nn2)CC1 ZINC000819916317 634280523 /nfs/dbraw/zinc/28/05/23/634280523.db2.gz VKIWNYYIVQTSNI-UHFFFAOYSA-N 0 3 252.749 2.192 20 30 CEEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C)c1cc(C#N)ccn1 ZINC000902808457 634832080 /nfs/dbraw/zinc/83/20/80/634832080.db2.gz ISUOOYDBYNZQID-YPMHNXCESA-N 0 3 261.369 2.401 20 30 CEEDHN C[C@H](C#N)OCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000801937807 634882016 /nfs/dbraw/zinc/88/20/16/634882016.db2.gz WMEPKKWYTSNVNL-MNOVXSKESA-N 0 3 263.297 2.174 20 30 CEEDHN CC[C@H](NCC1(S(C)(=O)=O)CC1)c1cccc(C#N)c1 ZINC000902975665 634915790 /nfs/dbraw/zinc/91/57/90/634915790.db2.gz IGXRRRBBVFFBPE-AWEZNQCLSA-N 0 3 292.404 2.176 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@H](n3ccnn3)C2)cc1 ZINC000822503262 634931833 /nfs/dbraw/zinc/93/18/33/634931833.db2.gz DSTAWYBMLCBIRJ-INIZCTEOSA-N 0 3 266.348 2.097 20 30 CEEDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNCC(C)(C)C#N)C1 ZINC000824153279 635365436 /nfs/dbraw/zinc/36/54/36/635365436.db2.gz GHXYQBLWYUCLCG-LRDDRELGSA-N 0 3 293.411 2.383 20 30 CEEDHN C#CCN(CC)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000824627522 635466111 /nfs/dbraw/zinc/46/61/11/635466111.db2.gz PDXSBFZOQJVZFM-INIZCTEOSA-N 0 3 259.349 2.309 20 30 CEEDHN CN(C)CCN(C(=O)C#Cc1cccs1)C1CCCC1 ZINC000825888214 635727566 /nfs/dbraw/zinc/72/75/66/635727566.db2.gz VIHQDPGARZKCRT-UHFFFAOYSA-N 0 3 290.432 2.432 20 30 CEEDHN C#C[C@H](NCc1ccnn1-c1ccncc1)C(C)(C)C ZINC000825940169 635735986 /nfs/dbraw/zinc/73/59/86/635735986.db2.gz OPQZIPSJVBUFAU-HNNXBMFYSA-N 0 3 268.364 2.405 20 30 CEEDHN Oc1ccccc1/C=N/[C@@H]1CCCN2CCSC[C@H]12 ZINC000905002711 635773671 /nfs/dbraw/zinc/77/36/71/635773671.db2.gz KPTOUXMLJCIPKW-RSCROXIHSA-N 0 3 276.405 2.391 20 30 CEEDHN COc1ccc(OC)c(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905080880 635797774 /nfs/dbraw/zinc/79/77/74/635797774.db2.gz MXLMQDSATUOHIQ-SZJBZFAYSA-N 0 3 285.303 2.136 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000905378866 636254115 /nfs/dbraw/zinc/25/41/15/636254115.db2.gz PXLDKQSEYANDKW-NDTCATRNSA-N 0 3 289.423 2.307 20 30 CEEDHN C[C@H]1CNC(NN=C2CC(c3ccc(F)cc3F)C2)=N1 ZINC000905460703 636291462 /nfs/dbraw/zinc/29/14/62/636291462.db2.gz OFFOJIJHGNCZTR-IENPIDJESA-N 0 3 278.306 2.136 20 30 CEEDHN CC(C)CN(CC[S@](C)=O)Cc1ccc(C#N)cc1 ZINC000827561765 636354112 /nfs/dbraw/zinc/35/41/12/636354112.db2.gz AUZLTLVEPBMFKA-IBGZPJMESA-N 0 3 278.421 2.395 20 30 CEEDHN C#C[C@@H](NCc1ccc(OC)cc1OC)C1CCOCC1 ZINC000827571262 636356767 /nfs/dbraw/zinc/35/67/67/636356767.db2.gz XZCAIMAZVWYZRE-MRXNPFEDSA-N 0 3 289.375 2.222 20 30 CEEDHN C#C[C@H](NCc1c(C)nn(CC)c1C)C1CCOCC1 ZINC000827570887 636357191 /nfs/dbraw/zinc/35/71/91/636357191.db2.gz TXQLETBMNFUWJW-INIZCTEOSA-N 0 3 275.396 2.038 20 30 CEEDHN CN1CCN(c2ccc(CN3CC[C@](C)(C#N)C3)cc2)CC1 ZINC000827650652 636376122 /nfs/dbraw/zinc/37/61/22/636376122.db2.gz SRTYBOZCANSIAP-GOSISDBHSA-N 0 3 298.434 2.174 20 30 CEEDHN C#CCCN(CCOC)Cc1ccc2c(c1)ncn2C ZINC000827823201 636434052 /nfs/dbraw/zinc/43/40/52/636434052.db2.gz KNAZGIOTDOADPL-UHFFFAOYSA-N 0 3 271.364 2.045 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)COCC1CCCCC1 ZINC000905858406 636492983 /nfs/dbraw/zinc/49/29/83/636492983.db2.gz JQXMSGGUSKOGIC-ZIAGYGMSSA-N 0 3 282.428 2.252 20 30 CEEDHN C[C@H](NCC[S@@](=O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000905906929 636519061 /nfs/dbraw/zinc/51/90/61/636519061.db2.gz UGAGBNSCKNJVBM-ZRNGKTOUSA-N 0 3 290.310 2.477 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000829512052 636870641 /nfs/dbraw/zinc/87/06/41/636870641.db2.gz DQKGEGFQBRMIAO-IAGOWNOFSA-N 0 3 297.402 2.016 20 30 CEEDHN C#CC[C@H]1CCCN(CC(=O)N(C(C)C)C(C)C)C1 ZINC000829769061 636925717 /nfs/dbraw/zinc/92/57/17/636925717.db2.gz NQBQAJFZRYTOHM-HNNXBMFYSA-N 0 3 264.413 2.367 20 30 CEEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)NCCc2ccccc2)C1 ZINC000829775036 636928122 /nfs/dbraw/zinc/92/81/22/636928122.db2.gz XMMYCLWWIMEAAX-AEFFLSMTSA-N 0 3 298.430 2.469 20 30 CEEDHN C#CC[C@H]1CCCN(CCn2cc(Cl)cn2)C1 ZINC000829815859 636937764 /nfs/dbraw/zinc/93/77/64/636937764.db2.gz UXVXHOZJGCDQBA-LBPRGKRZSA-N 0 3 251.761 2.272 20 30 CEEDHN C#CC1CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000830311112 637032317 /nfs/dbraw/zinc/03/23/17/637032317.db2.gz DRAWXTQXJVMAAN-AWEZNQCLSA-N 0 3 257.333 2.172 20 30 CEEDHN C#CC1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000830326217 637036501 /nfs/dbraw/zinc/03/65/01/637036501.db2.gz GPEWGWQKKPFOGS-INIZCTEOSA-N 0 3 284.359 2.357 20 30 CEEDHN N#Cc1sccc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000907764261 637117629 /nfs/dbraw/zinc/11/76/29/637117629.db2.gz VYXAOQCBXMBBAS-LBPRGKRZSA-N 0 3 289.404 2.366 20 30 CEEDHN C#CCCCN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000830739040 637141559 /nfs/dbraw/zinc/14/15/59/637141559.db2.gz JDXUQMWPRRNMCO-HOTGVXAUSA-N 0 3 261.340 2.200 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000876558002 650326221 /nfs/dbraw/zinc/32/62/21/650326221.db2.gz NZUGPIGSQMCCJW-GXSJLCMTSA-N 0 3 282.775 2.263 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1cccc(Cl)c1 ZINC000876560107 650328746 /nfs/dbraw/zinc/32/87/46/650328746.db2.gz FSIIAAMDIGABJK-LBPRGKRZSA-N 0 3 287.190 2.469 20 30 CEEDHN CC(C)C#CC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000831733880 637422100 /nfs/dbraw/zinc/42/21/00/637422100.db2.gz UTWDOTFWLRDWLM-HNNXBMFYSA-N 0 3 272.392 2.283 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1cc(C)on1 ZINC000876597843 650352639 /nfs/dbraw/zinc/35/26/39/650352639.db2.gz VEFPYEWIYYXZEV-ZYHUDNBSSA-N 0 3 283.759 2.116 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)COc1ccccc1 ZINC000876607055 650356423 /nfs/dbraw/zinc/35/64/23/650356423.db2.gz OHGDCRFSGDWZRL-DGCLKSJQSA-N 0 3 282.771 2.040 20 30 CEEDHN CCCC[C@H](ON=C(C)C)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000834310151 637773655 /nfs/dbraw/zinc/77/36/55/637773655.db2.gz FWRIYUZXHGUQCM-ZNMIVQPWSA-N 0 3 295.427 2.120 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCOc1ccccc1C ZINC000876644044 650373077 /nfs/dbraw/zinc/37/30/77/650373077.db2.gz UMFRLHLNONUXAO-ZDUSSCGKSA-N 0 3 296.798 2.350 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCc3cccc(O)c32)nc1 ZINC000834773887 637947247 /nfs/dbraw/zinc/94/72/47/637947247.db2.gz KJHFTSYVRHTXDJ-AWEZNQCLSA-N 0 3 265.316 2.436 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000876657431 650380877 /nfs/dbraw/zinc/38/08/77/650380877.db2.gz NKXBZKMPHDRVQB-GHMZBOCLSA-N 0 3 280.755 2.270 20 30 CEEDHN CCN1CCCN(C(=O)c2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000910281451 637975335 /nfs/dbraw/zinc/97/53/35/637975335.db2.gz YUCWKFDXJUWJMI-LBPRGKRZSA-N 0 3 289.354 2.254 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1cc(C)cc(C)c1 ZINC000876676787 650394886 /nfs/dbraw/zinc/39/48/86/650394886.db2.gz XYAKAZPXOSVNGJ-AWEZNQCLSA-N 0 3 280.799 2.432 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000876681900 650396533 /nfs/dbraw/zinc/39/65/33/650396533.db2.gz BMQWEAHBHQWOMH-GUTXKFCHSA-N 0 3 278.783 2.303 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC000876682438 650397155 /nfs/dbraw/zinc/39/71/55/650397155.db2.gz IDWFCIFRGNUTEZ-KOLCDFICSA-N 0 3 298.745 2.410 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)Oc1ccccc1C ZINC000876684458 650398055 /nfs/dbraw/zinc/39/80/55/650398055.db2.gz NOJWPKFPGQYRDV-OLZOCXBDSA-N 0 3 296.798 2.348 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000876698675 650404777 /nfs/dbraw/zinc/40/47/77/650404777.db2.gz LSMUHINAUWKNOS-COPLHBTASA-N 0 3 288.819 2.118 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1C[C@](C)(OC)C1(C)C ZINC000876698677 650404906 /nfs/dbraw/zinc/40/49/06/650404906.db2.gz LSMUHINAUWKNOS-MJVIPROJSA-N 0 3 288.819 2.118 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@H](C)C3CCC3)CCC[C@@H]12 ZINC000991330704 638297488 /nfs/dbraw/zinc/29/74/88/638297488.db2.gz KHFVQASOMXWTJT-FRFSOERESA-N 0 3 274.408 2.169 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1ccccn1 ZINC000876726435 650411258 /nfs/dbraw/zinc/41/12/58/650411258.db2.gz GJSXWBONIRRYBH-AAEUAGOBSA-N 0 3 279.771 2.215 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)CCCN2C ZINC000876738220 650414428 /nfs/dbraw/zinc/41/44/28/650414428.db2.gz YAJJFPZNZCWXRM-ZDUSSCGKSA-N 0 3 293.798 2.477 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2nc(C)cs2)CCC1 ZINC000876749937 650419003 /nfs/dbraw/zinc/41/90/03/650419003.db2.gz OVRXFFUGFSNUFB-JTQLQIEISA-N 0 3 299.827 2.417 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000912029200 638518166 /nfs/dbraw/zinc/51/81/66/638518166.db2.gz JWZOSLBGINVVQH-GFCCVEGCSA-N 0 3 258.325 2.185 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1nc(C)cs1)C1CC1 ZINC000876772660 650427399 /nfs/dbraw/zinc/42/73/99/650427399.db2.gz PWHSKHHBDYWSTJ-MNOVXSKESA-N 0 3 299.827 2.489 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1nnc(-c2ccco2)s1 ZINC000912155539 638593023 /nfs/dbraw/zinc/59/30/23/638593023.db2.gz LBGUEJOXTAPJGQ-VIFPVBQESA-N 0 3 292.364 2.420 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C)c2cc(F)ccc21 ZINC000876778649 650429384 /nfs/dbraw/zinc/42/93/84/650429384.db2.gz KVIWPFNSIKDALN-NSHDSACASA-N 0 3 297.761 2.078 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C2CCCC1CCC2 ZINC000836488259 638648380 /nfs/dbraw/zinc/64/83/80/638648380.db2.gz JLJYHGHYGYPHOK-UHFFFAOYSA-N 0 3 277.412 2.058 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1CCC[C@H]1CC ZINC000836491007 638649737 /nfs/dbraw/zinc/64/97/37/638649737.db2.gz FMHGMJCSGHDMES-CABCVRRESA-N 0 3 279.428 2.067 20 30 CEEDHN CC(C)C[C@@H]1CN(C)CCN1c1ccnc(C#N)c1 ZINC000912353853 638657007 /nfs/dbraw/zinc/65/70/07/638657007.db2.gz WCUNLKXJYBOGJG-OAHLLOKOSA-N 0 3 258.369 2.120 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCSC(F)(F)F ZINC000912474318 638704369 /nfs/dbraw/zinc/70/43/69/638704369.db2.gz BIDAGXGOBQKTIP-QMMMGPOBSA-N 0 3 270.320 2.039 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000876874679 650468145 /nfs/dbraw/zinc/46/81/45/650468145.db2.gz JGRIDUZWCDBZSW-GFCCVEGCSA-N 0 3 279.771 2.087 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000876895152 650476820 /nfs/dbraw/zinc/47/68/20/650476820.db2.gz ZUCFKEKVHZAPJB-AGIUHOORSA-N 0 3 288.819 2.166 20 30 CEEDHN CN(C)[C@@H](CNC(=O)C#CC(C)(C)C)Cc1ccccc1 ZINC000837316074 639181903 /nfs/dbraw/zinc/18/19/03/639181903.db2.gz DHRIGJJIKSJMNF-MRXNPFEDSA-N 0 3 286.419 2.325 20 30 CEEDHN CN1CCC(N(Cc2ccco2)C(=O)C#CC2CC2)CC1 ZINC000837415025 639219943 /nfs/dbraw/zinc/21/99/43/639219943.db2.gz VGSHNOJSHKAKDN-UHFFFAOYSA-N 0 3 286.375 2.116 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)c1c(C)noc1C ZINC000876902104 650479633 /nfs/dbraw/zinc/47/96/33/650479633.db2.gz MFVMTICQMRCGOW-MNOVXSKESA-N 0 3 285.775 2.329 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1Cc2ccccc2OC[C@H]1C ZINC000876906468 650481380 /nfs/dbraw/zinc/48/13/80/650481380.db2.gz ZXVZINMIXAYYRY-YPMHNXCESA-N 0 3 294.782 2.266 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCNc1ccccc1F ZINC000876908781 650482379 /nfs/dbraw/zinc/48/23/79/650482379.db2.gz SDKJZAAVJOVKRI-LBPRGKRZSA-N 0 3 299.777 2.214 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](CC)CC1 ZINC000876671426 639353889 /nfs/dbraw/zinc/35/38/89/639353889.db2.gz CIFUSRPJDALGJV-RYUDHWBXSA-N 0 3 258.793 2.495 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](COC)CC(C)(C)C ZINC000876953662 650504517 /nfs/dbraw/zinc/50/45/17/650504517.db2.gz XBOUAUYTENPURH-GHMZBOCLSA-N 0 3 276.808 2.024 20 30 CEEDHN C#C[C@H](NCc1ccc(N(C)C)cc1C)[C@H]1CCCO1 ZINC000840938671 639592422 /nfs/dbraw/zinc/59/24/22/639592422.db2.gz QBUWPTONQUEAFY-DLBZAZTESA-N 0 3 272.392 2.331 20 30 CEEDHN C[C@@H](CO)NN=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841629692 639801702 /nfs/dbraw/zinc/80/17/02/639801702.db2.gz SGFNGCIGUMZXJY-GUYCJALGSA-N 0 3 287.407 2.312 20 30 CEEDHN C[C@@H](O)CN(C)N=C/C=C/c1ccc(N(C)C)cc1 ZINC000841648277 639809488 /nfs/dbraw/zinc/80/94/88/639809488.db2.gz AVWXZCUCBXDPDE-WFZOZMPMSA-N 0 3 261.369 2.064 20 30 CEEDHN N#CC1(CONC(=N)COc2ccc(F)cc2)CCC1 ZINC000842035983 639927882 /nfs/dbraw/zinc/92/78/82/639927882.db2.gz MKNDVCSZJLGPGV-UHFFFAOYSA-N 0 3 277.299 2.397 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C3CC4(CCC4)C3)CCC[C@@H]12 ZINC000992111195 639963729 /nfs/dbraw/zinc/96/37/29/639963729.db2.gz JUBZVBVKARFUCH-CRAIPNDOSA-N 0 3 286.419 2.313 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)CCC[C@@H]12 ZINC000992117736 639965630 /nfs/dbraw/zinc/96/56/30/639965630.db2.gz LESNOKFSHNKPFT-RUCLQGLUSA-N 0 3 274.408 2.332 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)c3cc[nH]c3C3CC3)CCC[C@@H]12 ZINC000992120649 639965711 /nfs/dbraw/zinc/96/57/11/639965711.db2.gz AJDYJEFFULYTNV-CRAIPNDOSA-N 0 3 297.402 2.252 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)C3CCC(=C)CC3)CCC[C@@H]12 ZINC000992156495 639976176 /nfs/dbraw/zinc/97/61/76/639976176.db2.gz WIPAOLFQVPMEQH-AEFFLSMTSA-N 0 3 286.419 2.479 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)C3CC4(CC4)C3)CCC[C@H]12 ZINC000992179695 639982046 /nfs/dbraw/zinc/98/20/46/639982046.db2.gz QHXHARNDQOZMLA-WMLDXEAASA-N 0 3 274.408 2.476 20 30 CEEDHN Cc1ccc(CC(=O)C(C#N)C(=O)Nc2ccccn2)s1 ZINC000126314348 650542067 /nfs/dbraw/zinc/54/20/67/650542067.db2.gz NZSKCHCXDQUEMQ-LBPRGKRZSA-N 0 3 299.355 2.342 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3cc(C)[nH]c3C)CCC[C@H]12 ZINC000992287653 640015251 /nfs/dbraw/zinc/01/52/51/640015251.db2.gz IAKSLOUGHXLXKE-FUHWJXTLSA-N 0 3 299.418 2.382 20 30 CEEDHN CN(C)c1cccc([C@H]2CCCN2C[C@H](O)CC#N)c1 ZINC000929717276 640031383 /nfs/dbraw/zinc/03/13/83/640031383.db2.gz CAFGHZCQSMVLQA-HZPDHXFCSA-N 0 3 273.380 2.164 20 30 CEEDHN C#CCN(C(=O)NCc1ccccc1C)C1CCN(C)CC1 ZINC000913904592 640158573 /nfs/dbraw/zinc/15/85/73/640158573.db2.gz QEYZMVFSEOCITQ-UHFFFAOYSA-N 0 3 299.418 2.234 20 30 CEEDHN C=C[C@@H](OC(=O)c1cccc(CN(C)C)c1)C(=O)OCC ZINC000842978771 640234661 /nfs/dbraw/zinc/23/46/61/640234661.db2.gz NZVFQLOPHDMZJX-CQSZACIVSA-N 0 3 291.347 2.023 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H]1C ZINC000993026459 640406040 /nfs/dbraw/zinc/40/60/40/640406040.db2.gz SPFITIWSYPFNKK-AAEUAGOBSA-N 0 3 293.798 2.274 20 30 CEEDHN CN(Cc1ccc(C#N)o1)C[C@]1(O)CCc2ccccc21 ZINC000843420738 640423096 /nfs/dbraw/zinc/42/30/96/640423096.db2.gz JTGDRQZKKQYOHI-QGZVFWFLSA-N 0 3 282.343 2.417 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2n[nH]c(C)c2C)[C@@H]1C ZINC000993129911 640468366 /nfs/dbraw/zinc/46/83/66/640468366.db2.gz YCELYUSECJOEHP-KBPBESRZSA-N 0 3 290.411 2.185 20 30 CEEDHN C#C[C@@H](NC(=O)[C@@H]1CCCN1CCC)c1ccccc1 ZINC000843966302 640565983 /nfs/dbraw/zinc/56/59/83/640565983.db2.gz BCDAKLHDMHETQN-CVEARBPZSA-N 0 3 270.376 2.352 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2csnc2C)[C@H]1C ZINC000993232398 640566274 /nfs/dbraw/zinc/56/62/74/640566274.db2.gz ZSWDFMALGQUPBQ-TZMCWYRMSA-N 0 3 291.420 2.058 20 30 CEEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccc(C)o2)[C@@H]1C ZINC000993229728 640567731 /nfs/dbraw/zinc/56/77/31/640567731.db2.gz GOSCLXGEDZFLAY-ZFWWWQNUSA-N 0 3 276.380 2.286 20 30 CEEDHN CCCN(C(=O)c1ccc(C)c(C#N)c1)[C@@H]1CCN(C)C1 ZINC000843989824 640571430 /nfs/dbraw/zinc/57/14/30/640571430.db2.gz PDAAQEVKCMIVKD-MRXNPFEDSA-N 0 3 285.391 2.423 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)nc(C)c2)[C@H]1C ZINC000993393406 640631891 /nfs/dbraw/zinc/63/18/91/640631891.db2.gz LTQORPXKZRJBEW-NVXWUHKLSA-N 0 3 299.418 2.304 20 30 CEEDHN Cc1cc([C@H](N)CC(=O)N(C)[C@@H](C)CC#N)cc(Cl)n1 ZINC000877146166 650594813 /nfs/dbraw/zinc/59/48/13/650594813.db2.gz UCIAGIQXKOURBC-CMPLNLGQSA-N 0 3 294.786 2.194 20 30 CEEDHN C=CCN1CCC[C@@H](NC(=O)c2cccc3n[nH]cc32)[C@H]1C ZINC000993658921 640668503 /nfs/dbraw/zinc/66/85/03/640668503.db2.gz IOSNZHIVIVOXMB-IUODEOHRSA-N 0 3 298.390 2.332 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2csc(=O)[nH]2)[C@H]1C ZINC000993696893 640671264 /nfs/dbraw/zinc/67/12/64/640671264.db2.gz VOOTZNKZHFUDIC-MNOVXSKESA-N 0 3 295.408 2.008 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(CC)[C@@H]2C)C1 ZINC000993789611 640675582 /nfs/dbraw/zinc/67/55/82/640675582.db2.gz MLFUYHUWNCRBGZ-OLZOCXBDSA-N 0 3 250.386 2.332 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@H]1CNc2ccccc21 ZINC000877151726 650597980 /nfs/dbraw/zinc/59/79/80/650597980.db2.gz QGGKNJRRWONBRC-AAEUAGOBSA-N 0 3 293.798 2.172 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc3c([nH]2)CCC3)[C@@H]1C ZINC000994218828 640700551 /nfs/dbraw/zinc/70/05/51/640700551.db2.gz LDUSYCZAKICTSD-DZGCQCFKSA-N 0 3 299.418 2.109 20 30 CEEDHN C[C@@H](CCC#N)CNCc1cn(-c2ccccc2)nn1 ZINC000877161725 650603563 /nfs/dbraw/zinc/60/35/63/650603563.db2.gz QZNOOIPEMJMLHP-ZDUSSCGKSA-N 0 3 269.352 2.297 20 30 CEEDHN N#CC(C(=O)C[C@@H]1C=CCC1)C(=O)Nc1ccccn1 ZINC000126399567 650613759 /nfs/dbraw/zinc/61/37/59/650613759.db2.gz BMZCPBBJCOBTDB-VXGBXAGGSA-N 0 3 269.304 2.085 20 30 CEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2csc(C)n2)[C@H]1C ZINC000994366446 640812527 /nfs/dbraw/zinc/81/25/27/640812527.db2.gz QVIQSLZDLZQWKA-BXUZGUMPSA-N 0 3 293.436 2.149 20 30 CEEDHN C#CCN1CCC(C(=O)NCc2cccc(CC)c2)CC1 ZINC000844943794 640873061 /nfs/dbraw/zinc/87/30/61/640873061.db2.gz AXNLNNMOUPXXMS-UHFFFAOYSA-N 0 3 284.403 2.210 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(F)c1F ZINC000877202597 650624255 /nfs/dbraw/zinc/62/42/55/650624255.db2.gz WUQARJFKGNXDCQ-SNVBAGLBSA-N 0 3 274.698 2.051 20 30 CEEDHN C=C[C@H](C)ONC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000845616267 641020229 /nfs/dbraw/zinc/02/02/29/641020229.db2.gz INEJGUDKPLVOHJ-FZMZJTMJSA-N 0 3 295.358 2.234 20 30 CEEDHN C#CCOc1ccccc1CN1CCC(C2(O)CC2)CC1 ZINC000846009304 641150292 /nfs/dbraw/zinc/15/02/92/641150292.db2.gz XBAYQZNEBWFXRP-UHFFFAOYSA-N 0 3 285.387 2.436 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccccc1O ZINC000877256806 650644355 /nfs/dbraw/zinc/64/43/55/650644355.db2.gz FNGBHNGJLIOXHR-GXSJLCMTSA-N 0 3 268.744 2.039 20 30 CEEDHN C[C@@]1(NC(=O)C#CC2CC2)CCN(Cc2ccccc2)C1 ZINC000846594110 641360780 /nfs/dbraw/zinc/36/07/80/641360780.db2.gz ZHUMBYUFKYVUEV-GOSISDBHSA-N 0 3 282.387 2.181 20 30 CEEDHN CCCNC(=O)CCCN(CCC#N)CC(C)C ZINC000846806455 641431230 /nfs/dbraw/zinc/43/12/30/641431230.db2.gz MCJDJICMUFLGQP-UHFFFAOYSA-N 0 3 253.390 2.164 20 30 CEEDHN C#C[C@H]1CCCN(Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000847026382 641532066 /nfs/dbraw/zinc/53/20/66/641532066.db2.gz YJBKUZXZGOXGQH-AWEZNQCLSA-N 0 3 270.376 2.234 20 30 CEEDHN C#CCO[C@H](C)C(=O)Nc1cnccc1NC(CC)CC ZINC000848108869 641895385 /nfs/dbraw/zinc/89/53/85/641895385.db2.gz WGTWIMXQTWTSBC-GFCCVEGCSA-N 0 3 289.379 2.081 20 30 CEEDHN Cc1ccc2c(c1)OCCN2C(=O)[C@@H](N)CCCCC#N ZINC000848400836 641978827 /nfs/dbraw/zinc/97/88/27/641978827.db2.gz NUBANCCWTPOCMW-ZDUSSCGKSA-N 0 3 287.363 2.132 20 30 CEEDHN CCOc1ccc(N(C)C(=O)[C@H](N)CCCCC#N)cc1 ZINC000848401926 641979066 /nfs/dbraw/zinc/97/90/66/641979066.db2.gz NWXQNSRDNZHDHO-OAHLLOKOSA-N 0 3 289.379 2.459 20 30 CEEDHN COc1cccc(C)c1NC(=O)[C@@H](N)CCCCC#N ZINC000848426839 641991597 /nfs/dbraw/zinc/99/15/97/641991597.db2.gz HKTXSOMZXGDZGJ-LBPRGKRZSA-N 0 3 275.352 2.353 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@H]1CN(C3CC3)C(=O)O1)CC2 ZINC000848574626 642061783 /nfs/dbraw/zinc/06/17/83/642061783.db2.gz ULIFPDPZUGIOFZ-HOCLYGCPSA-N 0 3 297.358 2.118 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001015960892 642110013 /nfs/dbraw/zinc/11/00/13/642110013.db2.gz BXFIPIAMOBLRRV-CYBMUJFWSA-N 0 3 290.411 2.222 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001015960892 642110016 /nfs/dbraw/zinc/11/00/16/642110016.db2.gz BXFIPIAMOBLRRV-CYBMUJFWSA-N 0 3 290.411 2.222 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCC(NCc2nccs2)CC1 ZINC000996876450 642148114 /nfs/dbraw/zinc/14/81/14/642148114.db2.gz MFHRQTSSJRLWLG-UHFFFAOYSA-N 0 3 293.436 2.436 20 30 CEEDHN C#C[C@H](C)N(C)C[C@H](O)COc1c(C)ccc(C)c1C ZINC000769963650 642149535 /nfs/dbraw/zinc/14/95/35/642149535.db2.gz ZQHCJJSMJAQRSF-HOCLYGCPSA-N 0 3 275.392 2.305 20 30 CEEDHN C#C[C@@H](NCc1cccc(CC)c1O)[C@@H]1CCCO1 ZINC000848904208 642181166 /nfs/dbraw/zinc/18/11/66/642181166.db2.gz NKMKOHCLYMCDPX-CABCVRRESA-N 0 3 259.349 2.225 20 30 CEEDHN C#CC1CCN(Cc2ccc(/C=C\C(=O)OC)o2)CC1 ZINC000848919305 642191769 /nfs/dbraw/zinc/19/17/69/642191769.db2.gz JMUJBLKFXZOLNE-SREVYHEPSA-N 0 3 273.332 2.311 20 30 CEEDHN CO[C@H]1CN(Cc2cc(C#N)ccc2N(C)C)CC[C@H]1C ZINC000877465799 650731558 /nfs/dbraw/zinc/73/15/58/650731558.db2.gz YHMWEFMLVHZDQH-DYVFJYSZSA-N 0 3 287.407 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CO[C@@H](C(=O)C(C#N)c1cc(C)nc(C)n1)C1CCCC1 ZINC000850756195 642776127 /nfs/dbraw/zinc/77/61/27/642776127.db2.gz PPUQOVVGUVWTIS-CZUORRHYSA-N 0 3 287.363 2.475 20 30 CEEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCF)cc1 ZINC000850762574 642777257 /nfs/dbraw/zinc/77/72/57/642777257.db2.gz ZECRBNRZQYUHTM-GFCCVEGCSA-N 0 3 278.283 2.092 20 30 CEEDHN C[C@@H](Cc1ccco1)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000850768034 642779098 /nfs/dbraw/zinc/77/90/98/642779098.db2.gz KFHWZZQEPVJKBI-FZMZJTMJSA-N 0 3 288.347 2.226 20 30 CEEDHN C=CCCOCCNCc1cccc(C(=O)N(C)C)c1 ZINC000921937355 642794655 /nfs/dbraw/zinc/79/46/55/642794655.db2.gz ANRMPBWLAWIQKW-UHFFFAOYSA-N 0 3 276.380 2.071 20 30 CEEDHN C[C@@H]1CCC[C@]1(O)CNCc1cc(C#N)cnc1Cl ZINC000877552624 650784051 /nfs/dbraw/zinc/78/40/51/650784051.db2.gz FLULUGMCGLSYGG-YGRLFVJLSA-N 0 3 279.771 2.247 20 30 CEEDHN N#CC(C(=O)CCCF)C(=O)NCc1ccc(F)cc1F ZINC000850977488 642862270 /nfs/dbraw/zinc/86/22/70/642862270.db2.gz WNWDYSGRDMPDDH-LLVKDONJSA-N 0 3 298.264 2.040 20 30 CEEDHN N#CC(C(=O)CCCF)C(=O)NCc1cccc(Cl)c1 ZINC000850977425 642862664 /nfs/dbraw/zinc/86/26/64/642862664.db2.gz UTDYDSOZXGMXNE-LBPRGKRZSA-N 0 3 296.729 2.415 20 30 CEEDHN CCC[C@@H](CN(C)C[C@@H](O)c1cccc(C#N)c1)OC ZINC000877609276 650811940 /nfs/dbraw/zinc/81/19/40/650811940.db2.gz JFFVPBHODYBRMR-JKSUJKDBSA-N 0 3 276.380 2.339 20 30 CEEDHN Cc1cc(C#N)cc(C)c1CN[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000922337573 643037620 /nfs/dbraw/zinc/03/76/20/643037620.db2.gz FTQYVWLREMNTIU-MRXNPFEDSA-N 0 3 297.402 2.276 20 30 CEEDHN CC(C)O[C@]1(CNCc2ccc(C#N)cc2F)CCOC1 ZINC000922613520 643159030 /nfs/dbraw/zinc/15/90/30/643159030.db2.gz YEEMXUWXBPPMRQ-INIZCTEOSA-N 0 3 292.354 2.371 20 30 CEEDHN C#C[C@H](N[C@@H](C)c1cnc(C)nc1C)C1CCOCC1 ZINC000877637078 650827452 /nfs/dbraw/zinc/82/74/52/650827452.db2.gz FIDKZYPDCZFTSR-LRDDRELGSA-N 0 3 273.380 2.172 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C=CCC2)CC1 ZINC000852072560 643288582 /nfs/dbraw/zinc/28/85/82/643288582.db2.gz CJWFQROZZHUHCL-ZDUSSCGKSA-N 0 3 263.385 2.045 20 30 CEEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000852098942 643301779 /nfs/dbraw/zinc/30/17/79/643301779.db2.gz ZSCUGXZUVXGLHZ-DZGCQCFKSA-N 0 3 275.396 2.109 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)N(C)Cc1ccc(OC)cc1 ZINC000852098631 643302151 /nfs/dbraw/zinc/30/21/51/643302151.db2.gz RPNMJPGVSMUTEO-QGZVFWFLSA-N 0 3 288.391 2.045 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)NCC1CCCCC1 ZINC000852098853 643302542 /nfs/dbraw/zinc/30/25/42/643302542.db2.gz XVCCEQFKDYDKMU-OAHLLOKOSA-N 0 3 250.386 2.074 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)NCCc1ccccc1C ZINC000852098687 643302587 /nfs/dbraw/zinc/30/25/87/643302587.db2.gz SUXKSISAEXEAQX-QGZVFWFLSA-N 0 3 272.392 2.045 20 30 CEEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000852099417 643303348 /nfs/dbraw/zinc/30/33/48/643303348.db2.gz LXAPNXVGQHBLKY-HTHKGWQXSA-N 0 3 264.413 2.461 20 30 CEEDHN C#C[C@](C)(CC)NC[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000852100834 643304437 /nfs/dbraw/zinc/30/44/37/643304437.db2.gz BFMAMPFIIVEEMN-GDBMZVCRSA-N 0 3 272.348 2.403 20 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COC(=O)CCN1CCC(=NN[C@H](C)C(C)(C)C)CC1 ZINC000793110961 648708883 /nfs/dbraw/zinc/70/88/83/648708883.db2.gz DIOISROXSJPVSZ-GFCCVEGCSA-N 0 3 283.416 2.026 20 30 CEEDHN CC[C@@H](NC(C)=O)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000870443789 648814860 /nfs/dbraw/zinc/81/48/60/648814860.db2.gz AAOPFEDQJQWEAW-GHMZBOCLSA-N 0 3 291.376 2.111 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)N[C@H]1CCN(C2CCC2)C1=O ZINC000871885869 649207141 /nfs/dbraw/zinc/20/71/41/649207141.db2.gz SYGBLTYUQCHPHT-AEFFLSMTSA-N 0 3 296.414 2.364 20 30 CEEDHN C=CCn1cc(CN[C@@H]2CCOC3(CCCC3)C2)nn1 ZINC000872081549 649266542 /nfs/dbraw/zinc/26/65/42/649266542.db2.gz ZMCWQLJUHBMHJT-CYBMUJFWSA-N 0 3 276.384 2.046 20 30 CEEDHN CN1CCN(CCc2ccc(C#N)cc2)Cc2cccnc21 ZINC000872318901 649356015 /nfs/dbraw/zinc/35/60/15/649356015.db2.gz BSMZTFQEBJVNOH-UHFFFAOYSA-N 0 3 292.386 2.448 20 30 CEEDHN COc1c(C)cnc(C=NNc2ccnc(C)c2)c1C ZINC000872393550 649378605 /nfs/dbraw/zinc/37/86/05/649378605.db2.gz ZWFMBUUUHHQSGJ-UHFFFAOYSA-N 0 3 270.336 2.278 20 30 CEEDHN CN1CCC[C@@H]2[C@H]1CCN2c1nc2ncccc2cc1C#N ZINC000872779773 649486574 /nfs/dbraw/zinc/48/65/74/649486574.db2.gz TYMDVEDEPCVBFU-HUUCEWRRSA-N 0 3 293.374 2.174 20 30 CEEDHN C=CC[C@H](CO)CNCc1c(F)cccc1OCC ZINC000873101481 649559384 /nfs/dbraw/zinc/55/93/84/649559384.db2.gz VIWJIVNMQNHTGM-LBPRGKRZSA-N 0 3 267.344 2.499 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)CCOCC1 ZINC000874825796 649842804 /nfs/dbraw/zinc/84/28/04/649842804.db2.gz RBEABODAKCWYBS-GJZGRUSLSA-N 0 3 292.423 2.054 20 30 CEEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(CC#N)cc1 ZINC000874833302 649845574 /nfs/dbraw/zinc/84/55/74/649845574.db2.gz MDQDCRCULMRWCJ-JKSUJKDBSA-N 0 3 283.375 2.061 20 30 CEEDHN C#CCCN1CCN(CC[C@H]2CCCC2(F)F)CC1 ZINC000878313398 651063335 /nfs/dbraw/zinc/06/33/35/651063335.db2.gz WYYKNNDDJLDGKA-CQSZACIVSA-N 0 3 270.367 2.453 20 30 CEEDHN C=CCN1CCC(NC(=O)CC[C@H]2CC(C)(C)CO2)CC1 ZINC000878751159 651178990 /nfs/dbraw/zinc/17/89/90/651178990.db2.gz SVHZQCGSRQWRSP-HNNXBMFYSA-N 0 3 294.439 2.348 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC[C@@H](c2cccnc2)C1 ZINC000878753277 651179702 /nfs/dbraw/zinc/17/97/02/651179702.db2.gz IBXVIMHQFFKDOS-DZGCQCFKSA-N 0 3 259.353 2.190 20 30 CEEDHN C=CC(C)(C)CC(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000879307793 651280978 /nfs/dbraw/zinc/28/09/78/651280978.db2.gz DFMJGXWANAHQIM-VXGBXAGGSA-N 0 3 270.442 2.093 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](O)[C@H]3CCCC[C@H]32)o1 ZINC000879418808 651300482 /nfs/dbraw/zinc/30/04/82/651300482.db2.gz KMDITFPHQIECTH-ZNMIVQPWSA-N 0 3 260.337 2.277 20 30 CEEDHN C[C@@H](NCCOc1ccccc1C#N)c1ccnn1C ZINC000879683614 651338856 /nfs/dbraw/zinc/33/88/56/651338856.db2.gz BKOWJEWDLQTOOA-GFCCVEGCSA-N 0 3 270.336 2.021 20 30 CEEDHN C=CCOCCN1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000879996946 651370882 /nfs/dbraw/zinc/37/08/82/651370882.db2.gz VMZDWIMWUNUZHJ-HNNXBMFYSA-N 0 3 265.328 2.481 20 30 CEEDHN Cc1csc([C@@H]2CCN(CCOCCC#N)C2)n1 ZINC000880011159 651374664 /nfs/dbraw/zinc/37/46/64/651374664.db2.gz IDQSQNGYCHFJHN-GFCCVEGCSA-N 0 3 265.382 2.171 20 30 CEEDHN CCOC(=O)[C@@H]1CN(CCCCC#N)C[C@H]1C(F)(F)F ZINC000880154483 651394074 /nfs/dbraw/zinc/39/40/74/651394074.db2.gz HWNPKGBUQSSHRA-GHMZBOCLSA-N 0 3 292.301 2.354 20 30 CEEDHN C#CCC1(O)CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000880477791 651447474 /nfs/dbraw/zinc/44/74/74/651447474.db2.gz UXUPNJFTZOOCJP-SNVBAGLBSA-N 0 3 262.180 2.030 20 30 CEEDHN C#CC[C@H](CO)NCc1ccc(OC)c(OCCCC)c1 ZINC000883123429 652369750 /nfs/dbraw/zinc/36/97/50/652369750.db2.gz WUEDXWISDIKUOI-OAHLLOKOSA-N 0 3 291.391 2.348 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccccc1OCCCC ZINC000883124333 652370228 /nfs/dbraw/zinc/37/02/28/652370228.db2.gz DLRWPTMRCSOSBW-HNNXBMFYSA-N 0 3 261.365 2.339 20 30 CEEDHN C#CC1(NCc2ccc(S(C)(=O)=O)cc2)CCCC1 ZINC000883362654 652444676 /nfs/dbraw/zinc/44/46/76/652444676.db2.gz KJVRRHWBROXIBD-UHFFFAOYSA-N 0 3 277.389 2.126 20 30 CEEDHN C[C@@H](N[C@H]1CC(=O)N(CC2CC2)C1)c1ccc(C#N)cc1 ZINC000883394956 652454463 /nfs/dbraw/zinc/45/44/63/652454463.db2.gz KKVUADKEFWIYCB-WBMJQRKESA-N 0 3 283.375 2.220 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC(=O)N(CC3CC3)C1)CC2 ZINC000883395710 652455096 /nfs/dbraw/zinc/45/50/96/652455096.db2.gz AQNPQITYTDRSOD-NVXWUHKLSA-N 0 3 295.386 2.146 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cc(OC)c(OC)cc1F ZINC000883399388 652456244 /nfs/dbraw/zinc/45/62/44/652456244.db2.gz LGESOXIWAIGMLH-LBPRGKRZSA-N 0 3 283.343 2.260 20 30 CEEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc(F)cc1F)C2 ZINC000884046913 652657376 /nfs/dbraw/zinc/65/73/76/652657376.db2.gz XAYIQDRMMFIPSB-VOZQYIJBSA-N 0 3 291.301 2.043 20 30 CEEDHN N#C[C@H]1CNCC12CC(C(=O)NC1CCCCCCC1)C2 ZINC000884047503 652658163 /nfs/dbraw/zinc/65/81/63/652658163.db2.gz XOXRDAYGPQRJHM-UUCFBXCCSA-N 0 3 289.423 2.355 20 30 CEEDHN CC1CCC(N(C)C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC000884058801 652676088 /nfs/dbraw/zinc/67/60/88/652676088.db2.gz VOPICJUISZKZRV-IZUSSWBTSA-N 0 3 289.423 2.163 20 30 CEEDHN CCC1(C)CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC000884118246 652715530 /nfs/dbraw/zinc/71/55/30/652715530.db2.gz ZPSRCRXBBLFYRK-XOYHFGRZSA-N 0 3 289.423 2.164 20 30 CEEDHN CC1(C)CCCC[C@H]1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884141974 652725745 /nfs/dbraw/zinc/72/57/45/652725745.db2.gz OFGMUBGTQNONPL-YXXKGXSTSA-N 0 3 289.423 2.211 20 30 CEEDHN CCC[C@@H]1CCCCN1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884315328 652792386 /nfs/dbraw/zinc/79/23/86/652792386.db2.gz LXBPOFGQJUCEQW-KRIMKBQASA-N 0 3 289.423 2.307 20 30 CEEDHN C=CCOc1ccc(CNCC[S@](=O)CC)cc1 ZINC000134735774 652870380 /nfs/dbraw/zinc/87/03/80/652870380.db2.gz WLOVVRGRQCLZBP-SFHVURJKSA-N 0 3 267.394 2.110 20 30 CEEDHN Cc1nc(N2CCN(C3CCCC3)CC2)ccc1C#N ZINC000291686575 721858197 /nfs/dbraw/zinc/85/81/97/721858197.db2.gz RZKALEMRRNGXFE-UHFFFAOYSA-N 0 3 270.380 2.326 20 30 CEEDHN CCCCCCCN1C[C@@H](NC(=O)C(C)C)[C@H](OC)C1 ZINC001211859822 805597436 /nfs/dbraw/zinc/59/74/36/805597436.db2.gz QUIRJMWSZYSZMJ-HUUCEWRRSA-N 0 3 284.444 2.428 20 30 CEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cccnc2)C1 ZINC001270932941 805693208 /nfs/dbraw/zinc/69/32/08/805693208.db2.gz REORXICYIZSGTH-MRXNPFEDSA-N 0 3 273.380 2.100 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)n2cccc2)[C@H]1CC ZINC001087543173 805722578 /nfs/dbraw/zinc/72/25/78/805722578.db2.gz OUAWZKZAYBMPOZ-SOUVJXGZSA-N 0 3 275.396 2.204 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)ccn2C)[C@H]1CC ZINC001087552392 805738508 /nfs/dbraw/zinc/73/85/08/805738508.db2.gz CBWYQFOMBBLZPM-UONOGXRCSA-N 0 3 275.396 2.102 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)Cc2c(C)cccc2C)[C@H]1CC ZINC001087589138 805756090 /nfs/dbraw/zinc/75/60/90/805756090.db2.gz LUISYLNYWGEKAA-ZWKOTPCHSA-N 0 3 298.430 2.448 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C2(C3CC3)CC2)[C@H]1CC ZINC001087614662 805760462 /nfs/dbraw/zinc/76/04/62/805760462.db2.gz GQOSIHJHYZZCBI-UONOGXRCSA-N 0 3 262.397 2.332 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnoc2CC)[C@H]1CC ZINC001087745513 805785448 /nfs/dbraw/zinc/78/54/48/805785448.db2.gz AFOVBHRXMIJDTO-UONOGXRCSA-N 0 3 291.395 2.396 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(CC(=C)C)[C@@H]2CC)nc1 ZINC001087800440 805797874 /nfs/dbraw/zinc/79/78/74/805797874.db2.gz RZBGDBGXLHLLHJ-DOTOQJQBSA-N 0 3 297.402 2.222 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)c3cccnc3)C2)C1 ZINC001040044355 805812289 /nfs/dbraw/zinc/81/22/89/805812289.db2.gz QZDPULKVLJEJFZ-SFHVURJKSA-N 0 3 297.402 2.033 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3coc(C)c3)C[C@@H]2C1 ZINC001087945782 805861804 /nfs/dbraw/zinc/86/18/04/805861804.db2.gz MDXYDPGYMMHXDY-ZBFHGGJFSA-N 0 3 286.375 2.005 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C(C)=C3CCC3)C[C@@H]2C1 ZINC001087961673 805865438 /nfs/dbraw/zinc/86/54/38/805865438.db2.gz DXZHUMYQVZZZQP-SJORKVTESA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)C(C)(C)C(C)C)C[C@@H]2C1 ZINC001087978771 805869773 /nfs/dbraw/zinc/86/97/73/805869773.db2.gz SMTVENMZGAWHNN-CABCVRRESA-N 0 3 276.424 2.082 20 30 CEEDHN C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC(C)C)cn1 ZINC001029558604 805947328 /nfs/dbraw/zinc/94/73/28/805947328.db2.gz NEQQIHNHCCNQLV-CALCHBBNSA-N 0 3 297.402 2.008 20 30 CEEDHN C=CCN1CC[C@@H](OCC2CCN(C(=O)CCC)CC2)C1 ZINC001088227223 805972567 /nfs/dbraw/zinc/97/25/67/805972567.db2.gz JCVRZASZDLTDKY-MRXNPFEDSA-N 0 3 294.439 2.302 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=N)c2ccc(Cl)cn2)CCO1 ZINC001168078676 806071886 /nfs/dbraw/zinc/07/18/86/806071886.db2.gz MUDLYYYHEVTUIB-SCZZXKLOSA-N 0 3 253.733 2.008 20 30 CEEDHN C#CCNCCN(Cc1ccccc1)C(=O)C1=CCCC1 ZINC001271806981 806095955 /nfs/dbraw/zinc/09/59/55/806095955.db2.gz VUULTVFIXFNBPZ-UHFFFAOYSA-N 0 3 282.387 2.348 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ncc[nH]2)C1 ZINC001088310853 806107421 /nfs/dbraw/zinc/10/74/21/806107421.db2.gz GUBOOJFVCSYSHZ-GFCCVEGCSA-N 0 3 296.802 2.137 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@@H](CC)C(C)C)C[C@@H]2C1 ZINC001271890790 806130438 /nfs/dbraw/zinc/13/04/38/806130438.db2.gz BOEUYJVOUSNPLB-ZACQAIPSSA-N 0 3 290.451 2.472 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC001040145429 806253106 /nfs/dbraw/zinc/25/31/06/806253106.db2.gz OLFGMEKPQZKGGZ-GYKBNXPHSA-N 0 3 274.408 2.290 20 30 CEEDHN C=CCn1cccc1C(=O)N1CC[C@H]2CN(CC(=C)C)C[C@H]21 ZINC001075885261 806359752 /nfs/dbraw/zinc/35/97/52/806359752.db2.gz OBUCOLYIUWQFIS-DOTOQJQBSA-N 0 3 299.418 2.397 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCC2(F)F)[C@H]1C ZINC001088650540 806580387 /nfs/dbraw/zinc/58/03/87/806580387.db2.gz XRVRZGRANBIJFX-WOPDTQHZSA-N 0 3 272.339 2.187 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cncc3[nH]ccc32)[C@H]1C ZINC001088704753 806671726 /nfs/dbraw/zinc/67/17/26/806671726.db2.gz BSFQRCQVUWGNFI-DOMZBBRYSA-N 0 3 298.390 2.332 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(C)cc2)[C@H]1C ZINC001088715639 806679473 /nfs/dbraw/zinc/67/94/73/806679473.db2.gz LDSACJMTRQUDEP-ZBFHGGJFSA-N 0 3 272.392 2.303 20 30 CEEDHN Cc1sccc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001126838934 806715993 /nfs/dbraw/zinc/71/59/93/806715993.db2.gz OZESVGRVOKEUKT-UHFFFAOYSA-N 0 3 299.399 2.448 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)[C@H]1C ZINC001088801524 806731405 /nfs/dbraw/zinc/73/14/05/806731405.db2.gz FRYWBVXXSGDTLQ-KFWWJZLASA-N 0 3 276.424 2.415 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCc3ccccc3)[C@@H]2C1 ZINC001076487742 806853854 /nfs/dbraw/zinc/85/38/54/806853854.db2.gz NJZOKOJGJBZDDB-DLBZAZTESA-N 0 3 284.403 2.338 20 30 CEEDHN CC(C)(C(=O)N[C@H]1CC[C@@H](CC#N)C1)N1CCCCC1 ZINC000908562947 806959289 /nfs/dbraw/zinc/95/92/89/806959289.db2.gz JAGKPSICQHYUQK-KBPBESRZSA-N 0 3 277.412 2.449 20 30 CEEDHN CC[C@H](F)CN[C@@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001208015080 802336495 /nfs/dbraw/zinc/33/64/95/802336495.db2.gz XVUPNZUQXXPCKU-UONOGXRCSA-N 0 3 282.403 2.365 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)CC(C)(C)CC)C1 ZINC001266321655 802437648 /nfs/dbraw/zinc/43/76/48/802437648.db2.gz TVUMTFPLOWMSEY-ZDUSSCGKSA-N 0 3 250.386 2.027 20 30 CEEDHN C=CCN(C)[C@@H](C)CNC(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC001282412378 802411876 /nfs/dbraw/zinc/41/18/76/802411876.db2.gz OFKDRBSCYQQQMR-NEPJUHHUSA-N 0 3 292.427 2.143 20 30 CEEDHN C=CCOCCN1CC[C@H](NC(=O)CC(C)(C)C2CC2)C1 ZINC001266318007 802432918 /nfs/dbraw/zinc/43/29/18/802432918.db2.gz XLTSDMDAGBRRTG-HNNXBMFYSA-N 0 3 294.439 2.206 20 30 CEEDHN CCN(CCNC(=O)C1CC=CC1)Cc1ccc(C#N)cc1 ZINC001266383744 802510471 /nfs/dbraw/zinc/51/04/71/802510471.db2.gz VRXWUNVSUUWJDM-UHFFFAOYSA-N 0 3 297.402 2.463 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)C1(C(F)(F)F)CC1 ZINC001167236731 802595956 /nfs/dbraw/zinc/59/59/56/802595956.db2.gz OMVGACDXOKULBM-UHFFFAOYSA-N 0 3 284.709 2.177 20 30 CEEDHN CC[C@H](F)CN(C)C[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001266456372 802609510 /nfs/dbraw/zinc/60/95/10/802609510.db2.gz VINIKOWCCMAYJG-CVEARBPZSA-N 0 3 294.414 2.318 20 30 CEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)COCCC ZINC001266478875 802623662 /nfs/dbraw/zinc/62/36/62/802623662.db2.gz VBDHVOXNSDOZQQ-GASCZTMLSA-N 0 3 280.412 2.054 20 30 CEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCO1 ZINC001266483927 802626139 /nfs/dbraw/zinc/62/61/39/802626139.db2.gz JZVSHRMPOYLTFD-XHSDSOJGSA-N 0 3 292.423 2.197 20 30 CEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)C3(CCC)CCC3)[C@@H]2C1 ZINC001282876354 802647209 /nfs/dbraw/zinc/64/72/09/802647209.db2.gz 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ZINC001269508614 805184546 /nfs/dbraw/zinc/18/45/46/805184546.db2.gz MQGHNVKPMYHVEW-CYBMUJFWSA-N 0 3 288.366 2.191 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2cc3occc3s2)C1 ZINC001028797181 805263891 /nfs/dbraw/zinc/26/38/91/805263891.db2.gz BJSYNUBFNRZXKX-LLVKDONJSA-N 0 3 288.372 2.179 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(C=C)cc2)C1 ZINC001028822479 805280410 /nfs/dbraw/zinc/28/04/10/805280410.db2.gz VXEXEDQDXSYOPV-OAHLLOKOSA-N 0 3 268.360 2.015 20 30 CEEDHN CC[C@@H](F)CNC[C@H]1CCCN1C(=O)C#CC(C)(C)C ZINC001270049583 805320450 /nfs/dbraw/zinc/32/04/50/805320450.db2.gz CAUGRTSNZOOMAM-ZIAGYGMSSA-N 0 3 282.403 2.365 20 30 CEEDHN CC#CCNCc1ccc(CNC(=O)c2ccoc2)cc1 ZINC001270055053 805322561 /nfs/dbraw/zinc/32/25/61/805322561.db2.gz SZYOFTNLDOJJJQ-UHFFFAOYSA-N 0 3 282.343 2.323 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2cccn2C2CCCC2)C1 ZINC001028893801 805338991 /nfs/dbraw/zinc/33/89/91/805338991.db2.gz MPCNUAAMVFPYQH-OAHLLOKOSA-N 0 3 299.418 2.288 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc3c(c2)CCC=C3)C1 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C=CCN1CC[C@H](NC(=O)c2cc3ccccn3c2)[C@H]1C ZINC001088896399 807266814 /nfs/dbraw/zinc/26/68/14/807266814.db2.gz GKODGXNBWVKYAQ-CJNGLKHVSA-N 0 3 283.375 2.318 20 30 CEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)CSC)C2 ZINC001045912225 807274586 /nfs/dbraw/zinc/27/45/86/807274586.db2.gz ACXHWBBZFZOHSO-MRXNPFEDSA-N 0 3 294.464 2.077 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2oc(CC)cc2C)[C@H]1C ZINC001088982522 807304054 /nfs/dbraw/zinc/30/40/54/807304054.db2.gz CHZGPXKOPPSCRP-HIFRSBDPSA-N 0 3 288.391 2.366 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(F)cc2)[C@H]1C ZINC001089015745 807311968 /nfs/dbraw/zinc/31/19/68/807311968.db2.gz ORNYGUCFLDAHQQ-DOMZBBRYSA-N 0 3 276.355 2.133 20 30 CEEDHN C#CC[C@H](COC)NCc1cc(C)nc(Cl)c1 ZINC000716378562 815119770 /nfs/dbraw/zinc/11/97/70/815119770.db2.gz FWUORPAVLNXGSV-GFCCVEGCSA-N 0 3 252.745 2.171 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2(C)CCCCC2)[C@@H](O)C1 ZINC001083750634 807916791 /nfs/dbraw/zinc/91/67/91/807916791.db2.gz GOKPSSCBZRCLMI-CABCVRRESA-N 0 3 294.439 2.084 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccncc2C)CC(C)(C)C1 ZINC001089370656 807943471 /nfs/dbraw/zinc/94/34/71/807943471.db2.gz SLGMFLCQXSKTSJ-HNNXBMFYSA-N 0 3 299.418 2.244 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cc(F)c[nH]2)CC(C)(C)C1 ZINC001089441101 807978376 /nfs/dbraw/zinc/97/83/76/807978376.db2.gz UXJOGEAYXBMASB-ZDUSSCGKSA-N 0 3 291.370 2.007 20 30 CEEDHN C#CCCN1CC(CNC(=O)c2ccc3occc3c2)C1 ZINC001031689149 808049991 /nfs/dbraw/zinc/04/99/91/808049991.db2.gz CJMFAQRSPNGTEH-UHFFFAOYSA-N 0 3 282.343 2.118 20 30 CEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cccnc1 ZINC001089595593 808062811 /nfs/dbraw/zinc/06/28/11/808062811.db2.gz KVKHKLWBYTYHGZ-MRXNPFEDSA-N 0 3 299.418 2.325 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1=COCCC1 ZINC001089612734 808072466 /nfs/dbraw/zinc/07/24/66/808072466.db2.gz JJKFPIUVBBCPKE-HNNXBMFYSA-N 0 3 292.423 2.474 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCOC1 ZINC001089617314 808075948 /nfs/dbraw/zinc/07/59/48/808075948.db2.gz YIMYZGIIGVRHJE-HUUCEWRRSA-N 0 3 294.439 2.206 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001089639070 808082331 /nfs/dbraw/zinc/08/23/31/808082331.db2.gz MTRNBZMWUBJWCQ-NEPJUHHUSA-N 0 3 286.366 2.434 20 30 CEEDHN C=CCN1CCC(NC(=O)NC2(C(F)(F)F)CC2)CC1 ZINC001119941126 815174114 /nfs/dbraw/zinc/17/41/14/815174114.db2.gz AGOVQRYSFRTZPF-UHFFFAOYSA-N 0 3 291.317 2.031 20 30 CEEDHN C#CCCN1CC(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001032045693 808260852 /nfs/dbraw/zinc/26/08/52/808260852.db2.gz INXXJGUCCGMQJU-ZWKOTPCHSA-N 0 3 296.414 2.170 20 30 CEEDHN C#CCCN1CC(CNC(=O)C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001032211833 808331047 /nfs/dbraw/zinc/33/10/47/808331047.db2.gz AYAZDCDQJVNFKS-ZIAGYGMSSA-N 0 3 276.424 2.130 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccsc2)CC1 ZINC000996911126 808512707 /nfs/dbraw/zinc/51/27/07/808512707.db2.gz PASVMXFSSXETMR-GFCCVEGCSA-N 0 3 276.405 2.212 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)C2CCC(F)CC2)CC1 ZINC000997288725 808602878 /nfs/dbraw/zinc/60/28/78/808602878.db2.gz DOYISBGCAVZESE-IUDNXUCKSA-N 0 3 294.414 2.365 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CC23CCCC3)CC1 ZINC000997820497 808697321 /nfs/dbraw/zinc/69/73/21/808697321.db2.gz NXCYJVHSWNMHCH-HOCLYGCPSA-N 0 3 288.435 2.417 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cnc(C2CC2)s1 ZINC001171738949 815232842 /nfs/dbraw/zinc/23/28/42/815232842.db2.gz FDVBLBOYUXAMMR-UHFFFAOYSA-N 0 3 299.827 2.483 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccsc1C ZINC001032667895 808783287 /nfs/dbraw/zinc/78/32/87/808783287.db2.gz PADGZIAQOYWEGU-GJZGRUSLSA-N 0 3 290.432 2.460 20 30 CEEDHN C=CCC(CC=C)C(=O)NCCNC/C=C/Cl ZINC001128087746 808811408 /nfs/dbraw/zinc/81/14/08/808811408.db2.gz AMMTXORLIZAUDK-VMPITWQZSA-N 0 3 256.777 2.213 20 30 CEEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H](C)CC)nc1 ZINC001032737826 808817366 /nfs/dbraw/zinc/81/73/66/808817366.db2.gz IRKFMNFTRBMBTG-BPUTZDHNSA-N 0 3 297.402 2.008 20 30 CEEDHN C=C(C)CCC(=O)NCCNCc1cnc(C)s1 ZINC001128405117 809043883 /nfs/dbraw/zinc/04/38/83/809043883.db2.gz PAGBFTXQZHKAFG-UHFFFAOYSA-N 0 3 267.398 2.014 20 30 CEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2c(C)noc2C)C1 ZINC001032901038 809111451 /nfs/dbraw/zinc/11/14/51/809111451.db2.gz XDSLIQUBRWCQDX-CYBMUJFWSA-N 0 3 277.368 2.014 20 30 CEEDHN CN(C)/C=N/c1ccc(NCC(F)F)cc1C#N ZINC001161815900 809162592 /nfs/dbraw/zinc/16/25/92/809162592.db2.gz RUTWWIVVAUZWDO-CAOOACKPSA-N 0 3 252.268 2.457 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC001033107447 809180163 /nfs/dbraw/zinc/18/01/63/809180163.db2.gz MPFACTVTZFFSNN-NVXWUHKLSA-N 0 3 274.408 2.289 20 30 CEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc(C)co2)C1 ZINC001033345478 809279199 /nfs/dbraw/zinc/27/91/99/809279199.db2.gz IPWCCYZQIIBMKW-CYBMUJFWSA-N 0 3 262.353 2.310 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc3[nH]ccc3c2)C1 ZINC001033377919 809287483 /nfs/dbraw/zinc/28/74/83/809287483.db2.gz CTJOUTFUTDKSSP-MRXNPFEDSA-N 0 3 295.386 2.338 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033431707 809302206 /nfs/dbraw/zinc/30/22/06/809302206.db2.gz HRERPTYISSRHJF-OAGGEKHMSA-N 0 3 292.423 2.076 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](F)c2ccccc2)C1 ZINC001033461171 809311188 /nfs/dbraw/zinc/31/11/88/809311188.db2.gz GJKGFQQFAPUHMH-CVEARBPZSA-N 0 3 288.366 2.253 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001033488721 809317197 /nfs/dbraw/zinc/31/71/97/809317197.db2.gz YJOPILSGZDPPBT-CABCVRRESA-N 0 3 288.391 2.248 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2n[nH]c3ccccc32)C1 ZINC001033632634 809367449 /nfs/dbraw/zinc/36/74/49/809367449.db2.gz CAPVRXUCRJXZSN-ZDUSSCGKSA-N 0 3 298.390 2.285 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccoc2Cl)C1 ZINC001033808993 809423008 /nfs/dbraw/zinc/42/30/08/809423008.db2.gz HPBSALMCIVJTOZ-LBPRGKRZSA-N 0 3 294.782 2.493 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(F)c[nH]2)C1 ZINC001033900186 809447023 /nfs/dbraw/zinc/44/70/23/809447023.db2.gz OQYDAWHDNVVFQT-CYBMUJFWSA-N 0 3 279.359 2.266 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C)co2)C1 ZINC001033931033 809454836 /nfs/dbraw/zinc/45/48/36/809454836.db2.gz BHGDGCWBFLDYKW-AWEZNQCLSA-N 0 3 274.364 2.148 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCN(CC(=C)C)C1 ZINC001033953951 809461391 /nfs/dbraw/zinc/46/13/91/809461391.db2.gz JHDLIXQPLBYFMB-OAGGEKHMSA-N 0 3 292.423 2.076 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCCO[C@@H]2CC)CC1 ZINC001005490583 809465580 /nfs/dbraw/zinc/46/55/80/809465580.db2.gz CSVVFRCFQOJSGI-JKSUJKDBSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)C(C)(C)F)C1 ZINC001034065935 809496124 /nfs/dbraw/zinc/49/61/24/809496124.db2.gz UOKZGTXTVOPQLD-LBPRGKRZSA-N 0 3 256.365 2.281 20 30 CEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001034089298 809507076 /nfs/dbraw/zinc/50/70/76/809507076.db2.gz DCQRODVCLYDHNN-CQSZACIVSA-N 0 3 274.364 2.196 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001034097880 809510694 /nfs/dbraw/zinc/51/06/94/809510694.db2.gz CCBUVAOPJVRZCS-ZDUSSCGKSA-N 0 3 261.369 2.175 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccn2C)C1 ZINC001034105427 809514090 /nfs/dbraw/zinc/51/40/90/809514090.db2.gz UTMFQIHBHSHBKQ-AWEZNQCLSA-N 0 3 275.396 2.186 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001034292470 809572217 /nfs/dbraw/zinc/57/22/17/809572217.db2.gz RLPXJIPYCQHWHW-OAHLLOKOSA-N 0 3 298.390 2.105 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001034307242 809575672 /nfs/dbraw/zinc/57/56/72/809575672.db2.gz SKWZFROFCIWWDE-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)C2CCOCC2)C1 ZINC001034552952 809631094 /nfs/dbraw/zinc/63/10/94/809631094.db2.gz HRKCZRCXUOIFJX-GDBMZVCRSA-N 0 3 294.439 2.206 20 30 CEEDHN CC(=O)NCc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC001034804531 809697524 /nfs/dbraw/zinc/69/75/24/809697524.db2.gz FQZJYPOANVDXMK-UHFFFAOYSA-N 0 3 293.370 2.484 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]1C(F)F)CC2 ZINC001035697708 809804566 /nfs/dbraw/zinc/80/45/66/809804566.db2.gz ZPTGPYLVBFPTDB-STQMWFEESA-N 0 3 298.377 2.388 20 30 CEEDHN C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001035929467 809838197 /nfs/dbraw/zinc/83/81/97/809838197.db2.gz OFONVPGGUOECKY-UKRRQHHQSA-N 0 3 288.391 2.409 20 30 CEEDHN C#CC1(O)CCN(CCOc2cc(C)ccc2C)CC1 ZINC000708106110 809921101 /nfs/dbraw/zinc/92/11/01/809921101.db2.gz FONSYYRYEHLIQX-UHFFFAOYSA-N 0 3 273.376 2.142 20 30 CEEDHN N#Cc1ccc(CN2C[C@@H]3CSC[C@@H]3C2)c(F)c1 ZINC000711561568 810083592 /nfs/dbraw/zinc/08/35/92/810083592.db2.gz XFDSUFIROGIQRV-BETUJISGSA-N 0 3 262.353 2.492 20 30 CEEDHN C=CCn1c(C(F)F)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001121601223 815346871 /nfs/dbraw/zinc/34/68/71/815346871.db2.gz YBQFWUCQSPDWNE-WDEREUQCSA-N 0 3 299.369 2.321 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccccc2F)C1 ZINC001079365567 810201134 /nfs/dbraw/zinc/20/11/34/810201134.db2.gz BBSIVBYGMFKLDS-IUODEOHRSA-N 0 3 276.355 2.452 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001079567421 810223601 /nfs/dbraw/zinc/22/36/01/810223601.db2.gz HMCVLCDTPBAXTJ-TZMCWYRMSA-N 0 3 278.371 2.244 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(CC)n2)C1 ZINC001079860586 810235267 /nfs/dbraw/zinc/23/52/67/810235267.db2.gz OHFBVBAEWIHCRL-CZUORRHYSA-N 0 3 287.407 2.270 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H]2CCC(C)(C)CO2)C1 ZINC001015319137 810279203 /nfs/dbraw/zinc/27/92/03/810279203.db2.gz QRSARYMFIMNAPU-CABCVRRESA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001015366974 810283797 /nfs/dbraw/zinc/28/37/97/810283797.db2.gz SMKDOSCGFXDOGC-LVQVYYBASA-N 0 3 274.408 2.027 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001015382638 810284191 /nfs/dbraw/zinc/28/41/91/810284191.db2.gz QOVWFXVKCZYEBA-AWEZNQCLSA-N 0 3 298.390 2.023 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC001015494056 810296504 /nfs/dbraw/zinc/29/65/04/810296504.db2.gz WLNYVVGRJAAAKK-NSHDSACASA-N 0 3 280.393 2.137 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CC=C(C)C)C[C@H]2C)cn1 ZINC001080801918 810306812 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(CC=C(C)C)C1 ZINC001015828343 810362261 /nfs/dbraw/zinc/36/22/61/810362261.db2.gz DZSVSPNMNUFUJQ-PMPSAXMXSA-N 0 3 292.423 2.124 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NCCCNCc1cnc(C)o1 ZINC001164360276 810363275 /nfs/dbraw/zinc/36/32/75/810363275.db2.gz HWLAJJCUQBUUTH-LBPRGKRZSA-N 0 3 279.384 2.181 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001015870691 810366468 /nfs/dbraw/zinc/36/64/68/810366468.db2.gz VOSARJMCWFEQHV-CYBMUJFWSA-N 0 3 290.794 2.476 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3scnc3c2)C1 ZINC001015935670 810375958 /nfs/dbraw/zinc/37/59/58/810375958.db2.gz YYUGAMIMZWUMGC-ZDUSSCGKSA-N 0 3 299.399 2.124 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3c(c2)CCN3C)C1 ZINC001015954160 810379715 /nfs/dbraw/zinc/37/97/15/810379715.db2.gz NMNZADBRAIOOIH-INIZCTEOSA-N 0 3 299.418 2.059 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2cccc(F)c2)C1 ZINC001016183396 810409699 /nfs/dbraw/zinc/40/96/99/810409699.db2.gz CNYDORMJUPJZSO-OAHLLOKOSA-N 0 3 276.355 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810468392 /nfs/dbraw/zinc/46/83/92/810468392.db2.gz GRCNSLVKDXEPIR-OAHLLOKOSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1csc([C@H](C)OC)n1 ZINC001122005075 815376395 /nfs/dbraw/zinc/37/63/95/815376395.db2.gz FZYVGZYCQKLNFV-JQWIXIFHSA-N 0 3 297.424 2.150 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCc3cccnc3)[C@@H]2C1 ZINC001084491840 810473147 /nfs/dbraw/zinc/47/31/47/810473147.db2.gz CBYLRAPHQKFUEO-IAGOWNOFSA-N 0 3 299.418 2.123 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](C)C2CCCC2)CC1 ZINC001016922498 810477288 /nfs/dbraw/zinc/47/72/88/810477288.db2.gz DSCGRQSMGGBEQT-GDBMZVCRSA-N 0 3 288.435 2.417 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC(C)(F)F)[C@@H]2C1 ZINC001084638329 810491086 /nfs/dbraw/zinc/49/10/86/810491086.db2.gz ZOESXGMAKRXBEK-VXGBXAGGSA-N 0 3 272.339 2.141 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@]34C[C@@H]3CCCC4)[C@@H]2C1 ZINC001084643449 810491315 /nfs/dbraw/zinc/49/13/15/810491315.db2.gz AAGJZVLAZHBHMB-HPFXQQBRSA-N 0 3 286.419 2.123 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCC1(C2CC2)CCC1 ZINC001121979507 815373861 /nfs/dbraw/zinc/37/38/61/815373861.db2.gz YGLYTZXMSMZLIV-CYBMUJFWSA-N 0 3 250.386 2.367 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC=CCC3)C[C@@H]21 ZINC001084888433 810539231 /nfs/dbraw/zinc/53/92/31/810539231.db2.gz OCJANTXGEGYSLW-IKGGRYGDSA-N 0 3 286.419 2.289 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CO[C@H](C)C1 ZINC001017679709 810543515 /nfs/dbraw/zinc/54/35/15/810543515.db2.gz DOAJBVFIDNILCN-FPCVCCKLSA-N 0 3 292.423 2.053 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(F)(F)F ZINC001017811353 810554377 /nfs/dbraw/zinc/55/43/77/810554377.db2.gz LESGKALBNNTSAA-UTUOFQBUSA-N 0 3 290.329 2.436 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)COCC1CC1 ZINC001098933082 810559544 /nfs/dbraw/zinc/55/95/44/810559544.db2.gz REHYLCHPXGOCAS-HNNXBMFYSA-N 0 3 294.439 2.206 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[C@H]1CCCO1 ZINC001017921196 810573346 /nfs/dbraw/zinc/57/33/46/810573346.db2.gz BKHRACCNBNUSSS-LVQVYYBASA-N 0 3 292.423 2.053 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccncc1 ZINC001085117676 810601366 /nfs/dbraw/zinc/60/13/66/810601366.db2.gz UNRHAQSSVAWPMC-ZIAGYGMSSA-N 0 3 293.798 2.465 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1nccn1C ZINC001172293769 815384353 /nfs/dbraw/zinc/38/43/53/815384353.db2.gz XTBQPTNFHXSCQL-LBPRGKRZSA-N 0 3 254.337 2.013 20 30 CEEDHN CCn1ccc(CN[C@H](C)Cc2ccc(C#N)cc2)n1 ZINC001172294228 815384371 /nfs/dbraw/zinc/38/43/71/815384371.db2.gz GUVPDLTXTZBJOH-CYBMUJFWSA-N 0 3 268.364 2.495 20 30 CEEDHN CC(C)C(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001018526572 810630317 /nfs/dbraw/zinc/63/03/17/810630317.db2.gz WGOHZKOFUUOUPJ-AWEZNQCLSA-N 0 3 289.354 2.044 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H](c2nccs2)C1 ZINC001122127322 815386603 /nfs/dbraw/zinc/38/66/03/815386603.db2.gz BPNFQIPPGGSFMV-NEPJUHHUSA-N 0 3 279.409 2.143 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(Cl)cc2C)C1 ZINC001019321464 810699521 /nfs/dbraw/zinc/69/95/21/810699521.db2.gz HRCLZNQPCPXPMI-ZDUSSCGKSA-N 0 3 276.767 2.086 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC[C@H](NCc3cncs3)C2)C1 ZINC001019354545 810704000 /nfs/dbraw/zinc/70/40/00/810704000.db2.gz HVMAZCPSYAHUDJ-LBPRGKRZSA-N 0 3 291.420 2.190 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)/C=C\Cl ZINC001122179824 815390523 /nfs/dbraw/zinc/39/05/23/815390523.db2.gz GXXYFEHGQLDGMH-PULIVWKDSA-N 0 3 251.157 2.104 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc(C(CC)CC)no2)C1 ZINC001019482051 810714997 /nfs/dbraw/zinc/71/49/97/810714997.db2.gz DTPYOQBGCSMCLH-ZDUSSCGKSA-N 0 3 289.379 2.016 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC001038640832 810726590 /nfs/dbraw/zinc/72/65/90/810726590.db2.gz YEVAITXATBVIMC-JKSUJKDBSA-N 0 3 299.418 2.268 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc(F)c2)C1 ZINC001019950722 810751152 /nfs/dbraw/zinc/75/11/52/810751152.db2.gz GSTHNSPGOLWDGE-JOCQHMNTSA-N 0 3 282.746 2.429 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1cnn(C2CCCC2)c1 ZINC001122258197 815397267 /nfs/dbraw/zinc/39/72/67/815397267.db2.gz NPXVYXKWSXSXGY-AWEZNQCLSA-N 0 3 289.383 2.348 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cscn1 ZINC001085516375 810803083 /nfs/dbraw/zinc/80/30/83/810803083.db2.gz TWQHWDHXYCZAPW-LBPRGKRZSA-N 0 3 279.409 2.256 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnn(CC)c1 ZINC001085521007 810804226 /nfs/dbraw/zinc/80/42/26/810804226.db2.gz CXMLHLZXFMBTCK-OAHLLOKOSA-N 0 3 290.411 2.016 20 30 CEEDHN C=CCn1cccc1C(=O)NC[C@H]1CCN1CCC1CC1 ZINC001038346300 810829224 /nfs/dbraw/zinc/82/92/24/810829224.db2.gz VRTCZKBPVXCBKG-OAHLLOKOSA-N 0 3 287.407 2.278 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cocc1C ZINC001085766142 810904795 /nfs/dbraw/zinc/90/47/95/810904795.db2.gz BGQJGKZAVGEFIV-CYBMUJFWSA-N 0 3 262.353 2.310 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ncccc1C ZINC001122380428 815406900 /nfs/dbraw/zinc/40/69/00/815406900.db2.gz MDPOUJNPPAHDFL-MNOVXSKESA-N 0 3 267.760 2.037 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001038888860 810939565 /nfs/dbraw/zinc/93/95/65/810939565.db2.gz XOBGDPRNVMSLRG-KBPBESRZSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC12CCC2 ZINC001085847795 810939882 /nfs/dbraw/zinc/93/98/82/810939882.db2.gz LFHNULMLHUMSOB-KGLIPLIRSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(OC)cc1 ZINC001038955456 810956376 /nfs/dbraw/zinc/95/63/76/810956376.db2.gz JWQQMILWFSTOHS-AWEZNQCLSA-N 0 3 274.364 2.075 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c[nH]c2cccnc12 ZINC001085925348 810970483 /nfs/dbraw/zinc/97/04/83/810970483.db2.gz UGZQJGHAIYCDRR-ZDUSSCGKSA-N 0 3 298.390 2.285 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001085995694 810997113 /nfs/dbraw/zinc/99/71/13/810997113.db2.gz SJZBUPJABGJNJX-NEXGVSGLSA-N 0 3 288.435 2.387 20 30 CEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCCO1 ZINC001039363044 811017580 /nfs/dbraw/zinc/01/75/80/811017580.db2.gz WGADNYQQMUIZJC-OWCLPIDISA-N 0 3 292.423 2.197 20 30 CEEDHN C=CCC[C@@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC001122466122 815415058 /nfs/dbraw/zinc/41/50/58/815415058.db2.gz KGXBOYYNHCBZBC-KGLIPLIRSA-N 0 3 263.385 2.355 20 30 CEEDHN N#Cc1cc(CNCCNC(=O)C2CCCC2)ccc1F ZINC001122476365 815416018 /nfs/dbraw/zinc/41/60/18/815416018.db2.gz IEZFHJMYQMTEIN-UHFFFAOYSA-N 0 3 289.354 2.093 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC23CCC3)C1 ZINC001086211766 811063407 /nfs/dbraw/zinc/06/34/07/811063407.db2.gz QRTZRUGIDGTBGG-FRRDWIJNSA-N 0 3 282.815 2.414 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3CC=CCC3)C2)C1 ZINC001040062794 811082879 /nfs/dbraw/zinc/08/28/79/811082879.db2.gz GQPGKLXJHVHZSF-AEFFLSMTSA-N 0 3 286.419 2.290 20 30 CEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3nocc3C)C2)C1 ZINC001040484205 811111463 /nfs/dbraw/zinc/11/14/63/811111463.db2.gz MECLDCSLKSTWND-INIZCTEOSA-N 0 3 289.379 2.097 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC001040428867 811112172 /nfs/dbraw/zinc/11/21/72/811112172.db2.gz GLIJGVDVWKAOFQ-DOTOQJQBSA-N 0 3 276.424 2.226 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC2(C)COC2)c1 ZINC001122541211 815422882 /nfs/dbraw/zinc/42/28/82/815422882.db2.gz MUOLOYGDHYKBOM-CYBMUJFWSA-N 0 3 286.331 2.069 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)C(C)(C)C=C)C2)CC1 ZINC001040802449 811126457 /nfs/dbraw/zinc/12/64/57/811126457.db2.gz OLGIDJHPFHMONW-UHFFFAOYSA-N 0 3 274.408 2.146 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)[C@@H]3CC34CCC4)C2)CC1 ZINC001040868137 811127412 /nfs/dbraw/zinc/12/74/12/811127412.db2.gz NQRNHBZALNXYPL-HNNXBMFYSA-N 0 3 286.419 2.124 20 30 CEEDHN C[C@@H](NCCCNC(=O)[C@@H](C)C#N)c1c(F)cccc1F ZINC001155860719 811150591 /nfs/dbraw/zinc/15/05/91/811150591.db2.gz SLYQPUBRWKFZGK-WDEREUQCSA-N 0 3 295.333 2.281 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@H]3CCCC34CC4)C2)C1 ZINC001041409289 811164736 /nfs/dbraw/zinc/16/47/36/811164736.db2.gz XJTIQHQIZBVYNQ-WBVHZDCISA-N 0 3 286.419 2.124 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3occc3C)C[C@@H]21 ZINC001041942052 811218777 /nfs/dbraw/zinc/21/87/77/811218777.db2.gz LXYZKHJHHZNKFB-KGLIPLIRSA-N 0 3 274.364 2.310 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)C=C3CCC3)C[C@@H]21 ZINC001042009835 811232689 /nfs/dbraw/zinc/23/26/89/811232689.db2.gz IDPRGGOCPNIODK-HOTGVXAUSA-N 0 3 272.392 2.043 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccncc3C)C[C@H]21 ZINC001042041631 811237234 /nfs/dbraw/zinc/23/72/34/811237234.db2.gz SXQDXGFTIRCVEI-GDBMZVCRSA-N 0 3 285.391 2.112 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(C(F)F)CC3)C[C@@H]21 ZINC001042060933 811238726 /nfs/dbraw/zinc/23/87/26/811238726.db2.gz BGIOMAGNZWWSSE-NEPJUHHUSA-N 0 3 284.350 2.141 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3CC(C)(C)C3)C[C@H]21 ZINC001042049625 811240424 /nfs/dbraw/zinc/24/04/24/811240424.db2.gz KDHNCIXEEPELBM-GDBMZVCRSA-N 0 3 288.435 2.369 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3C=CC=CC=C3)C[C@H]21 ZINC001042075731 811242659 /nfs/dbraw/zinc/24/26/59/811242659.db2.gz FRGGBGLMWJKBIM-SJLPKXTDSA-N 0 3 296.414 2.231 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C)cc(C)n3)C[C@@H]21 ZINC001042124570 811246905 /nfs/dbraw/zinc/24/69/05/811246905.db2.gz IDSMEKAXPGZTKU-WBVHZDCISA-N 0 3 299.418 2.421 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccn(C)c3C)C[C@@H]21 ZINC001042224767 811257889 /nfs/dbraw/zinc/25/78/89/811257889.db2.gz QSYDGORLQVRRPA-HOCLYGCPSA-N 0 3 287.407 2.056 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cccn3CC)C[C@@H]21 ZINC001042356062 811273465 /nfs/dbraw/zinc/27/34/65/811273465.db2.gz QQWAXFNROSHWLF-ZBFHGGJFSA-N 0 3 287.407 2.230 20 30 CEEDHN C[C@H](CCCC#N)NCc1ccccc1S(C)(=O)=O ZINC001172485325 815434887 /nfs/dbraw/zinc/43/48/87/815434887.db2.gz NUOFVOGJMNUNBQ-GFCCVEGCSA-N 0 3 280.393 2.262 20 30 CEEDHN C[C@@H](N)c1ccn(-c2ccc3nc(C#N)ccc3c2)n1 ZINC001169235104 811428783 /nfs/dbraw/zinc/42/87/83/811428783.db2.gz QEKULNFMVXPIEW-SNVBAGLBSA-N 0 3 263.304 2.312 20 30 CEEDHN CC[C@H](C(=O)Nc1ccc(F)c(C#N)c1N)N(CC)CC ZINC001169316945 811476358 /nfs/dbraw/zinc/47/63/58/811476358.db2.gz MYKPDYPPPSTTKS-CYBMUJFWSA-N 0 3 292.358 2.338 20 30 CEEDHN CC(=O)NC1(C)CCN(Cc2ccc(C#N)cc2)CC1 ZINC001045338947 811595122 /nfs/dbraw/zinc/59/51/22/811595122.db2.gz RGBWOHMUZRVNMA-UHFFFAOYSA-N 0 3 271.364 2.049 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2c(C)ccn2C)CC1 ZINC001045419199 811609454 /nfs/dbraw/zinc/60/94/54/811609454.db2.gz PWMPUWYNOIISGB-UHFFFAOYSA-N 0 3 275.396 2.104 20 30 CEEDHN C#Cc1ccc(C(=O)NC2(C)CCN(CC#CC)CC2)cc1 ZINC001045518943 811621281 /nfs/dbraw/zinc/62/12/81/811621281.db2.gz UHLZKMWCHQUGBV-UHFFFAOYSA-N 0 3 294.398 2.276 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cc(CCC)n[nH]2)CC1 ZINC001045518860 811621337 /nfs/dbraw/zinc/62/13/37/811621337.db2.gz RVARETZCZNTNST-UHFFFAOYSA-N 0 3 290.411 2.133 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cc(C)[nH]c2C)CC1 ZINC001045571661 811627133 /nfs/dbraw/zinc/62/71/33/811627133.db2.gz HIHQDBMHRVFGJO-UHFFFAOYSA-N 0 3 275.396 2.402 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2[nH]nc3ccccc32)CC1 ZINC001045632482 811634793 /nfs/dbraw/zinc/63/47/93/811634793.db2.gz OKELKCYCGJJEAQ-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)/C=C\C1CC1)C2 ZINC001045924662 811667127 /nfs/dbraw/zinc/66/71/27/811667127.db2.gz MMCAYJMSNPPZQX-JTHGQSKGSA-N 0 3 286.419 2.290 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C#CC1CC1)C2 ZINC001045937310 811668210 /nfs/dbraw/zinc/66/82/10/811668210.db2.gz ZKGJMAGSCWKQAQ-IBGZPJMESA-N 0 3 298.430 2.128 20 30 CEEDHN C=C[C@@H](CO)Nc1ccc([C@H]2CCCCN2C)cn1 ZINC001169781356 811669836 /nfs/dbraw/zinc/66/98/36/811669836.db2.gz SRACMUOVZHTDLF-UONOGXRCSA-N 0 3 261.369 2.197 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@]1(C)CCN(CC(=C)C)C1 ZINC001046373975 811744723 /nfs/dbraw/zinc/74/47/23/811744723.db2.gz IWGISSYCAYTXGR-QGZVFWFLSA-N 0 3 287.407 2.444 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2cc3cnccc3o2)C1 ZINC001046453574 811757006 /nfs/dbraw/zinc/75/70/06/811757006.db2.gz ILDHAVASUNBYEC-KRWDZBQOSA-N 0 3 297.358 2.045 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cc3ncccc3o2)C1 ZINC001046490668 811762965 /nfs/dbraw/zinc/76/29/65/811762965.db2.gz LRGTZHPZZJAWCR-QGZVFWFLSA-N 0 3 297.358 2.045 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001046517200 811768109 /nfs/dbraw/zinc/76/81/09/811768109.db2.gz VTRYUWWIUZUSIQ-DZGCQCFKSA-N 0 3 298.377 2.416 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)C2CCC(F)(F)CC2)C1 ZINC001046652469 811792372 /nfs/dbraw/zinc/79/23/72/811792372.db2.gz LFTRDSHFWQYZGA-HNNXBMFYSA-N 0 3 298.377 2.416 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cnn3ccccc23)C1 ZINC001046707399 811803663 /nfs/dbraw/zinc/80/36/63/811803663.db2.gz SJLWDIDLTFUTIB-QGZVFWFLSA-N 0 3 298.390 2.105 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)c2cccc3nccnc32)C1 ZINC001046728237 811804478 /nfs/dbraw/zinc/80/44/78/811804478.db2.gz FWGYVSPWSGFIOS-KRWDZBQOSA-N 0 3 296.374 2.010 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(F)(F)F)C2 ZINC001109021590 811811201 /nfs/dbraw/zinc/81/12/01/811811201.db2.gz OQSJSQZHALHICP-VWYCJHECSA-N 0 3 276.302 2.236 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cccc(OC)c2)C1 ZINC001046797612 811820904 /nfs/dbraw/zinc/82/09/04/811820904.db2.gz FMODCEZJCPMMJP-KRWDZBQOSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)c2cc(C)n(C)c2C)C1 ZINC001046821816 811824025 /nfs/dbraw/zinc/82/40/25/811824025.db2.gz DJVGBYBLHNNPHD-INIZCTEOSA-N 0 3 275.396 2.022 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001046855778 811829836 /nfs/dbraw/zinc/82/98/36/811829836.db2.gz KGRQQEQYMGYTHP-UNGSAITNSA-N 0 3 288.435 2.417 20 30 CEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC ZINC001096137846 811839428 /nfs/dbraw/zinc/83/94/28/811839428.db2.gz BCNRBBHCJOPBQU-YXMSTPNBSA-N 0 3 292.423 2.099 20 30 CEEDHN C#CCCN1CCC(F)(F)[C@@H](CNC(=O)C2=CCCC2)C1 ZINC001046928706 811842279 /nfs/dbraw/zinc/84/22/79/811842279.db2.gz LGEDVGHWNPECKK-AWEZNQCLSA-N 0 3 296.361 2.193 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccncc1)C2 ZINC001109479811 811896919 /nfs/dbraw/zinc/89/69/19/811896919.db2.gz GLVIUPMDFVFSSZ-IKGGRYGDSA-N 0 3 299.418 2.312 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC(C)C ZINC001109605573 811914137 /nfs/dbraw/zinc/91/41/37/811914137.db2.gz INGLOOOQKFWTHX-ILXRZTDVSA-N 0 3 294.439 2.345 20 30 CEEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H]1CC2CCC1CC2 ZINC001157153249 812026397 /nfs/dbraw/zinc/02/63/97/812026397.db2.gz FXYTXQHSHQKJLS-LMPOIIKSSA-N 0 3 276.424 2.273 20 30 CEEDHN COC(=O)N1CCC(N2CCc3cc(C#N)ccc3C2)CC1 ZINC001172735443 815496678 /nfs/dbraw/zinc/49/66/78/815496678.db2.gz BTNLWBCGBREGAB-UHFFFAOYSA-N 0 3 299.374 2.147 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)CC3CC(C)(C)C3)C[C@@H]2C1 ZINC001049003340 812054712 /nfs/dbraw/zinc/05/47/12/812054712.db2.gz IPQFFWWVJTWKJM-IYBDPMFKSA-N 0 3 288.435 2.226 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3c(C)cccc3C)C[C@@H]2C1 ZINC001049078232 812067868 /nfs/dbraw/zinc/06/78/68/812067868.db2.gz UQDOHZGJXGOOGE-CALCHBBNSA-N 0 3 296.414 2.331 20 30 CEEDHN CC(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1ccc(C#N)cc1 ZINC001049258470 812095660 /nfs/dbraw/zinc/09/56/60/812095660.db2.gz JHSJTYRSVPZZAH-IAGOWNOFSA-N 0 3 283.375 2.143 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)CC ZINC001049331136 812121258 /nfs/dbraw/zinc/12/12/58/812121258.db2.gz JGBWCBDGFFEDJS-RRFJBIMHSA-N 0 3 262.397 2.121 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)/C=C(/C)C1CC1 ZINC001049353879 812127733 /nfs/dbraw/zinc/12/77/33/812127733.db2.gz AIALOARRLJEWKU-VWPFORCUSA-N 0 3 286.419 2.431 20 30 CEEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1ocnc1C ZINC001049398127 812137262 /nfs/dbraw/zinc/13/72/62/812137262.db2.gz SNGOADUKQBNKIE-KGLIPLIRSA-N 0 3 289.379 2.238 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(C)ccn1C ZINC001049438222 812146981 /nfs/dbraw/zinc/14/69/81/812146981.db2.gz AWPHDHAUTSCLBY-GJZGRUSLSA-N 0 3 287.407 2.198 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccsn1 ZINC001049546954 812164162 /nfs/dbraw/zinc/16/41/62/812164162.db2.gz VWZAKQQXYSFIRA-OLZOCXBDSA-N 0 3 277.393 2.008 20 30 CEEDHN C=CCCCC(=O)N1CCN(C[C@H]2CCO[C@H](C)C2)CC1 ZINC001113282161 812206124 /nfs/dbraw/zinc/20/61/24/812206124.db2.gz OGHDUWUXRCGFBN-CVEARBPZSA-N 0 3 294.439 2.302 20 30 CEEDHN CC(=O)N1CCC[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001049934623 812231621 /nfs/dbraw/zinc/23/16/21/812231621.db2.gz AYNDJDDFBRRWTK-DLBZAZTESA-N 0 3 283.375 2.001 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)Cc3ccsc3)[C@@H]2C1 ZINC001049964259 812243206 /nfs/dbraw/zinc/24/32/06/812243206.db2.gz YVKSWIGMDCBTOW-LSDHHAIUSA-N 0 3 290.432 2.399 20 30 CEEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@H](C)COC)CC1 ZINC001113484850 812257030 /nfs/dbraw/zinc/25/70/30/812257030.db2.gz ULPVTEOIWRXUHP-GJZGRUSLSA-N 0 3 282.428 2.158 20 30 CEEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(F)F)C2 ZINC001096726660 812268733 /nfs/dbraw/zinc/26/87/33/812268733.db2.gz ULWMHPKLWOEPGR-UTUOFQBUSA-N 0 3 272.339 2.329 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C)s1)C2 ZINC001096868964 812291114 /nfs/dbraw/zinc/29/11/14/812291114.db2.gz LFXWWGSTYULNGM-UPJWGTAASA-N 0 3 291.420 2.363 20 30 CEEDHN CC(C)C#CC(=O)NCCCNCc1cnc(Cl)s1 ZINC001157633039 812295201 /nfs/dbraw/zinc/29/52/01/812295201.db2.gz NHWIMBHZOMQOHK-UHFFFAOYSA-N 0 3 299.827 2.052 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(F)(F)C1)C2 ZINC001097188428 812339571 /nfs/dbraw/zinc/33/95/71/812339571.db2.gz WTQWHQZWIGGTGA-SYQHCUMBSA-N 0 3 296.361 2.167 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ccc1C1CC1)C2 ZINC001097199248 812341773 /nfs/dbraw/zinc/34/17/73/812341773.db2.gz VHTCSUIBIOYVQU-BMFZPTHFSA-N 0 3 297.402 2.251 20 30 CEEDHN N#CC1(c2ccccc2)CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC001170376579 812402418 /nfs/dbraw/zinc/40/24/18/812402418.db2.gz QPDHKFOAHLEZCD-PQUAAJSLSA-N 0 3 297.402 2.340 20 30 CEEDHN CO[C@@H]1[C@@H](C)[C@H](NCc2cc(C#N)ccn2)C1(C)C ZINC001170399779 812404979 /nfs/dbraw/zinc/40/49/79/812404979.db2.gz MXZHBRHLCWVPLA-LEWSCRJBSA-N 0 3 259.353 2.102 20 30 CEEDHN CO[C@@H]1[C@H](C)[C@@H](NCc2cc(C#N)ccn2)C1(C)C ZINC001170399778 812405506 /nfs/dbraw/zinc/40/55/06/812405506.db2.gz MXZHBRHLCWVPLA-LERXQTSPSA-N 0 3 259.353 2.102 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H]2Cc3ccccc32)CC1 ZINC001052671582 812444364 /nfs/dbraw/zinc/44/43/64/812444364.db2.gz OLVHVHZLARHUBW-FUHWJXTLSA-N 0 3 296.414 2.320 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(F)c(C)c2)CC1 ZINC001052671624 812444828 /nfs/dbraw/zinc/44/48/28/812444828.db2.gz OYTZZICQWJWTDT-OAHLLOKOSA-N 0 3 288.366 2.352 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2cccc3cc[nH]c32)CC1 ZINC001052736125 812454488 /nfs/dbraw/zinc/45/44/88/812454488.db2.gz OZLPTRWNZQOVCB-HNNXBMFYSA-N 0 3 295.386 2.385 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC001052774306 812458618 /nfs/dbraw/zinc/45/86/18/812458618.db2.gz XRZAURAHOYXGCU-CABCVRRESA-N 0 3 288.391 2.295 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)/C=C/c1ccco1)C2 ZINC001054076252 812530313 /nfs/dbraw/zinc/53/03/13/812530313.db2.gz ZBWQWYDHFMWAHJ-IPLHWJFFSA-N 0 3 298.386 2.241 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C(F)=C(C)C)C2 ZINC001054113627 812539893 /nfs/dbraw/zinc/53/98/93/812539893.db2.gz LQTWOVQFJZLWRC-MRXNPFEDSA-N 0 3 278.371 2.198 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C1(F)CCCC1)C2 ZINC001054156238 812544550 /nfs/dbraw/zinc/54/45/50/812544550.db2.gz KQEQFMZENYGEPG-INIZCTEOSA-N 0 3 292.398 2.216 20 30 CEEDHN Cc1cc(C)c(C(=O)NCCNCc2ccc(C#N)cc2)[nH]1 ZINC001130313543 812557946 /nfs/dbraw/zinc/55/79/46/812557946.db2.gz DVTOAHDBINQKPJ-UHFFFAOYSA-N 0 3 296.374 2.023 20 30 CEEDHN C=CCOc1ccccc1C(=O)NCCNC[C@H](F)CC ZINC001130374491 812562161 /nfs/dbraw/zinc/56/21/61/812562161.db2.gz TUEVYSHOVYGNPC-CYBMUJFWSA-N 0 3 294.370 2.319 20 30 CEEDHN CC(F)(F)CCC(=O)NCCNCc1cccc(C#N)c1 ZINC001130390789 812565073 /nfs/dbraw/zinc/56/50/73/812565073.db2.gz UHDJAFIHEHCNQL-UHFFFAOYSA-N 0 3 295.333 2.199 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](N3CCCC3)[C@@H](F)C2)C1 ZINC001254680464 812572327 /nfs/dbraw/zinc/57/23/27/812572327.db2.gz WEXPTFAVXFKESR-KBXIAJHMSA-N 0 3 265.376 2.187 20 30 CEEDHN N#Cc1cccc(CNCCNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC001130512343 812575875 /nfs/dbraw/zinc/57/58/75/812575875.db2.gz QHEQYPGCTUPYRF-ZACQAIPSSA-N 0 3 297.402 2.200 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)C2(F)CCCC2)cc1 ZINC001130618113 812591280 /nfs/dbraw/zinc/59/12/80/812591280.db2.gz UHYISAQLGFAEPQ-UHFFFAOYSA-N 0 3 289.354 2.046 20 30 CEEDHN C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001086645750 812604140 /nfs/dbraw/zinc/60/41/40/812604140.db2.gz IZOZPJMQFASDGL-UONOGXRCSA-N 0 3 288.391 2.456 20 30 CEEDHN C=C(Cl)CN[C@H]1CN(C(=O)c2ccccc2O)C[C@@H]1C ZINC001054404039 812608609 /nfs/dbraw/zinc/60/86/09/812608609.db2.gz FARLBRQYEZCEAW-GWCFXTLKSA-N 0 3 294.782 2.195 20 30 CEEDHN C[C@@H](N)c1ccn(-c2c(C#N)cnc3cnc(Cl)cc32)n1 ZINC001158350095 812670833 /nfs/dbraw/zinc/67/08/33/812670833.db2.gz XOJSTMIBIQDBKS-MRVPVSSYSA-N 0 3 298.737 2.360 20 30 CEEDHN C[C@H](CC(F)F)C(=O)NCCNCc1cccc(C#N)c1 ZINC001131449659 812672510 /nfs/dbraw/zinc/67/25/10/812672510.db2.gz FIDNQXVAZVPUOP-LLVKDONJSA-N 0 3 295.333 2.055 20 30 CEEDHN C=CCOCCN1C[C@H](NC(=O)CC(C)C)CC[C@@H]1C ZINC001131768781 812721140 /nfs/dbraw/zinc/72/11/40/812721140.db2.gz UEKWDYGHUQIMHI-LSDHHAIUSA-N 0 3 282.428 2.204 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)NCCNCc1ccsc1 ZINC001131870258 812744950 /nfs/dbraw/zinc/74/49/50/812744950.db2.gz PGRJIFAGWFDEIB-OAHLLOKOSA-N 0 3 296.436 2.183 20 30 CEEDHN C=CCN1C[C@H](NC(=O)/C(C)=C/CC)CC[C@@H]1C ZINC001131919570 812756684 /nfs/dbraw/zinc/75/66/84/812756684.db2.gz ZTTGQLMXKGFOAI-NAICIEFVSA-N 0 3 250.386 2.498 20 30 CEEDHN C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)N(CCOC)C1 ZINC001132060338 812783913 /nfs/dbraw/zinc/78/39/13/812783913.db2.gz DHNJUHLLDDBBTC-KBPBESRZSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCOCCN1C[C@H](NC(=O)CC2(C)CC2)CC[C@@H]1C ZINC001132194922 812796045 /nfs/dbraw/zinc/79/60/45/812796045.db2.gz HCFVFDJYBJUECS-LSDHHAIUSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CCc2ccccn2)CC[C@H]1C ZINC001132218725 812802749 /nfs/dbraw/zinc/80/27/49/812802749.db2.gz VGLXEKHCKNQPNU-GDBMZVCRSA-N 0 3 287.407 2.169 20 30 CEEDHN C=CCCCC(=O)N[C@H]1CC[C@H](C)N(CC=C)C1 ZINC001132256012 812812449 /nfs/dbraw/zinc/81/24/49/812812449.db2.gz INGXMLBABLYIAY-KBPBESRZSA-N 0 3 250.386 2.498 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)c3ccccc3)C2)CC1 ZINC001050412253 812820173 /nfs/dbraw/zinc/82/01/73/812820173.db2.gz YTKUSFBQECDWSL-UHFFFAOYSA-N 0 3 282.387 2.248 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@@H](C)C(C)(C)C)C2)CC1 ZINC001050565256 812837957 /nfs/dbraw/zinc/83/79/57/812837957.db2.gz XFZDCFBMUAPTNJ-CQSZACIVSA-N 0 3 276.424 2.226 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CC[C@@H](F)C3)C2)CC1 ZINC001050637128 812844715 /nfs/dbraw/zinc/84/47/15/812844715.db2.gz ZUPIPRHGBBQDAB-LSDHHAIUSA-N 0 3 292.398 2.072 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@H]3CCCC[C@H]3C)C2)CC1 ZINC001050638655 812846549 /nfs/dbraw/zinc/84/65/49/812846549.db2.gz VOOMVLQXGBRZAN-CVEARBPZSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@H]3CCCC[C@@H]3C)C2)CC1 ZINC001050638658 812847326 /nfs/dbraw/zinc/84/73/26/812847326.db2.gz VOOMVLQXGBRZAN-HOTGVXAUSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)c3cccn3C(C)C)C2)CC1 ZINC001050756711 812860814 /nfs/dbraw/zinc/86/08/14/812860814.db2.gz JADOHXQYTGJUKW-UHFFFAOYSA-N 0 3 299.418 2.240 20 30 CEEDHN CC#CCCCC(=O)NCCNCc1cc(F)cc(F)c1 ZINC001132591304 812903079 /nfs/dbraw/zinc/90/30/79/812903079.db2.gz LPEIGPXAAQQAOY-UHFFFAOYSA-N 0 3 294.345 2.364 20 30 CEEDHN CCOC(=O)C1(C#N)CCN([C@H]2CCC[C@@H](OC)C2)CC1 ZINC001172950316 815562268 /nfs/dbraw/zinc/56/22/68/815562268.db2.gz MOOBQEZVQWPSBR-UONOGXRCSA-N 0 3 294.395 2.113 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H](NC(=O)C3CC3)CC2)cc1 ZINC001052139439 812932581 /nfs/dbraw/zinc/93/25/81/812932581.db2.gz PYBXQWFYMMSALS-KRWDZBQOSA-N 0 3 297.402 2.439 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)c2ccsc2)CC1 ZINC001052184064 812942850 /nfs/dbraw/zinc/94/28/50/812942850.db2.gz LIHJGGGRENJTFB-AWEZNQCLSA-N 0 3 276.405 2.356 20 30 CEEDHN C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2[O-])CC1 ZINC001052212420 812948646 /nfs/dbraw/zinc/94/86/46/812948646.db2.gz RZHJIZBZTHHWQP-CYBMUJFWSA-N 0 3 274.364 2.163 20 30 CEEDHN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2[O-])CC1 ZINC001052212420 812948647 /nfs/dbraw/zinc/94/86/47/812948647.db2.gz RZHJIZBZTHHWQP-CYBMUJFWSA-N 0 3 274.364 2.163 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)Cc2ccc(C)o2)CC1 ZINC001052312863 812971482 /nfs/dbraw/zinc/97/14/82/812971482.db2.gz CXKWGVZIIDYYPO-HNNXBMFYSA-N 0 3 288.391 2.125 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001052552107 813005930 /nfs/dbraw/zinc/00/59/30/813005930.db2.gz TZNNLNATGNOJFJ-RRFJBIMHSA-N 0 3 276.424 2.273 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)[C@]2(C)C=CCC2)CC1 ZINC001052631385 813018911 /nfs/dbraw/zinc/01/89/11/813018911.db2.gz TWZPHJUEEBCAPL-DOTOQJQBSA-N 0 3 274.408 2.337 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)c2csc(C)n2)CC1 ZINC001052653123 813020072 /nfs/dbraw/zinc/02/00/72/813020072.db2.gz GXYPEDVIJHBDPD-CYBMUJFWSA-N 0 3 291.420 2.059 20 30 CEEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc(C#N)nn1 ZINC001170679431 813031353 /nfs/dbraw/zinc/03/13/53/813031353.db2.gz RBFWVZFAMHDISD-NSHDSACASA-N 0 3 290.330 2.221 20 30 CEEDHN C=CCCC1(C(=O)NCCNCc2cccnc2)CC1 ZINC001133375729 813042160 /nfs/dbraw/zinc/04/21/60/813042160.db2.gz GJZMRQPKLJASHD-UHFFFAOYSA-N 0 3 273.380 2.034 20 30 CEEDHN C=C(Cl)CN[C@@H](C)C[C@H](C)NC(=O)CCCC(C)=O ZINC001133662680 813131679 /nfs/dbraw/zinc/13/16/79/813131679.db2.gz SHHJCSPYQUGVOT-RYUDHWBXSA-N 0 3 288.819 2.371 20 30 CEEDHN C#CCN(C)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173067618 815577463 /nfs/dbraw/zinc/57/74/63/815577463.db2.gz XXTNKCVAPQZBMH-QWHCGFSZSA-N 0 3 266.385 2.339 20 30 CEEDHN C#CCN(C)CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000385614866 813140016 /nfs/dbraw/zinc/14/00/16/813140016.db2.gz OOUAYFSKAOMIOS-UHFFFAOYSA-N 0 3 266.772 2.090 20 30 CEEDHN Cc1nocc1CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)C ZINC001134317479 813250815 /nfs/dbraw/zinc/25/08/15/813250815.db2.gz JQOIMQNHWDDJCD-OLZOCXBDSA-N 0 3 291.395 2.015 20 30 CEEDHN CC(C)C#CC(=O)N[C@H](C)C[C@@H](C)NCc1nccs1 ZINC001134341544 813252616 /nfs/dbraw/zinc/25/26/16/813252616.db2.gz QDOIOPOZQJZOJZ-CHWSQXEVSA-N 0 3 293.436 2.175 20 30 CEEDHN C#CCNCCNC(=O)c1ccc(C)c2ccccc12 ZINC001134393283 813264362 /nfs/dbraw/zinc/26/43/62/813264362.db2.gz NPDNINQKRVTSIJ-UHFFFAOYSA-N 0 3 266.344 2.101 20 30 CEEDHN CC(C)[C@@H](C)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001134651139 813305225 /nfs/dbraw/zinc/30/52/25/813305225.db2.gz DSSBIXAJNKBWNA-GFCCVEGCSA-N 0 3 291.370 2.195 20 30 CEEDHN C#CCNC(=O)CCN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000815046915 813334005 /nfs/dbraw/zinc/33/40/05/813334005.db2.gz CLSHGGANSUGVRW-HNNXBMFYSA-N 0 3 292.329 2.241 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2CCCC2)CC[C@H]1C ZINC001071293729 813351373 /nfs/dbraw/zinc/35/13/73/813351373.db2.gz JFRQSKKOOIQGAF-UKRRQHHQSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2ccoc2C)CC[C@H]1C ZINC001071342769 813370550 /nfs/dbraw/zinc/37/05/50/813370550.db2.gz NDIREPATIMOKEN-TZMCWYRMSA-N 0 3 274.364 2.194 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(C)n2C)CC[C@H]1C ZINC001071345249 813372168 /nfs/dbraw/zinc/37/21/68/813372168.db2.gz PNHNWCQYCQVPQN-HUUCEWRRSA-N 0 3 289.423 2.492 20 30 CEEDHN C#CCNCCNC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001135405063 813425973 /nfs/dbraw/zinc/42/59/73/813425973.db2.gz FAJRRPALSHBKEL-UONOGXRCSA-N 0 3 264.413 2.178 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)C2(C)CC2)CC[C@@H]1C ZINC001071522226 813428616 /nfs/dbraw/zinc/42/86/16/813428616.db2.gz QHOBEBBSYHLDMT-STQMWFEESA-N 0 3 250.386 2.332 20 30 CEEDHN CC#CCNCCNC(=O)C1(CC(C)C)CCCC1 ZINC001135417902 813429858 /nfs/dbraw/zinc/42/98/58/813429858.db2.gz ZAHZJWKSIPQVCU-UHFFFAOYSA-N 0 3 264.413 2.322 20 30 CEEDHN CC#CCNCCNC(=O)C[C@@H](C)c1ccccc1F ZINC001135404544 813431341 /nfs/dbraw/zinc/43/13/41/813431341.db2.gz ZAMSCRXBHBKDJG-CYBMUJFWSA-N 0 3 276.355 2.048 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C2(F)CCCC2)CC[C@@H]1C ZINC001071626655 813453822 /nfs/dbraw/zinc/45/38/22/813453822.db2.gz YPGITBAVUGMKRQ-KBPBESRZSA-N 0 3 280.387 2.261 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C)c(C)n2)CC[C@@H]1C ZINC001071685357 813462584 /nfs/dbraw/zinc/46/25/84/813462584.db2.gz AFSCWCCKQMDSQL-HOCLYGCPSA-N 0 3 299.418 2.304 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cccn2CC)CC[C@@H]1C ZINC001072076424 813541348 /nfs/dbraw/zinc/54/13/48/813541348.db2.gz OUYWORMFYIWBIE-GJZGRUSLSA-N 0 3 287.407 2.114 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(C)s3)C2)C1 ZINC001072405661 813585330 /nfs/dbraw/zinc/58/53/30/813585330.db2.gz FVBPRJFSWXKDRZ-UHFFFAOYSA-N 0 3 276.405 2.390 20 30 CEEDHN CC(C)[C@]1(C)C[C@@H]1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001136094112 813613951 /nfs/dbraw/zinc/61/39/51/813613951.db2.gz HCVHPDFHOBQLLT-AEFFLSMTSA-N 0 3 299.418 2.446 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)C3CCC3)C2)C1 ZINC001072844908 813673622 /nfs/dbraw/zinc/67/36/22/813673622.db2.gz VIUIRAZFDQDNNN-CYBMUJFWSA-N 0 3 262.397 2.143 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C34CCC(CC3)C4)C2)C1 ZINC001072856989 813674560 /nfs/dbraw/zinc/67/45/60/813674560.db2.gz DLKDMIXPNWNBSS-UHFFFAOYSA-N 0 3 274.408 2.287 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C3(F)CCCCC3)C2)C1 ZINC001073103540 813725329 /nfs/dbraw/zinc/72/53/29/813725329.db2.gz VRLGYKGZTRVKOG-UHFFFAOYSA-N 0 3 280.387 2.379 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C(C3CC3)C3CC3)C2)C1 ZINC001073115111 813728321 /nfs/dbraw/zinc/72/83/21/813728321.db2.gz QPIZMFIFEIRUIO-UHFFFAOYSA-N 0 3 274.408 2.143 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)c3ccc(CC)cc3)C2)C1 ZINC001073399981 813749639 /nfs/dbraw/zinc/74/96/39/813749639.db2.gz GECCCKXBGSSGHS-UHFFFAOYSA-N 0 3 296.414 2.420 20 30 CEEDHN Cc1ccn2c(CN3CCC4SC(=O)C=C4C3)cnc2c1 ZINC001136886735 813787885 /nfs/dbraw/zinc/78/78/85/813787885.db2.gz VXAVBZUZNUACSY-AWEZNQCLSA-N 0 3 299.399 2.417 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccsc2)C1 ZINC001098712253 813938623 /nfs/dbraw/zinc/93/86/23/813938623.db2.gz RJYDJDVDDLHPFS-HOCLYGCPSA-N 0 3 290.432 2.447 20 30 CEEDHN C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2[O-])C1 ZINC001098731288 813940779 /nfs/dbraw/zinc/94/07/79/813940779.db2.gz DSYQPVIPBXNMAR-GUYCJALGSA-N 0 3 286.375 2.163 20 30 CEEDHN C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2[O-])C1 ZINC001098731288 813940785 /nfs/dbraw/zinc/94/07/85/813940785.db2.gz DSYQPVIPBXNMAR-GUYCJALGSA-N 0 3 286.375 2.163 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)COCCC ZINC001098953287 813966093 /nfs/dbraw/zinc/96/60/93/813966093.db2.gz QXVRWQDSRVINID-CQSZACIVSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCOC1 ZINC001098982581 813971232 /nfs/dbraw/zinc/97/12/32/813971232.db2.gz MAIIJNQXMXRJFJ-HUUCEWRRSA-N 0 3 294.439 2.206 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1C(F)(F)F ZINC001099197905 813993159 /nfs/dbraw/zinc/99/31/59/813993159.db2.gz BVHJHRMABOLABB-VXGBXAGGSA-N 0 3 290.329 2.342 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)CN1CCO ZINC001099213289 813995849 /nfs/dbraw/zinc/99/58/49/813995849.db2.gz BUICTPPXWXAKDL-PBHICJAKSA-N 0 3 296.455 2.188 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CC2(C)C)C[C@H]1C(F)(F)F ZINC001099238792 813996670 /nfs/dbraw/zinc/99/66/70/813996670.db2.gz HMLBELJJMZIZHK-HBNTYKKESA-N 0 3 290.329 2.197 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C2(CC)CCCC2)[C@H](O)C1 ZINC001100055631 814057873 /nfs/dbraw/zinc/05/78/73/814057873.db2.gz GLPUCGHWRZLBNX-LSDHHAIUSA-N 0 3 294.439 2.084 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1ccncn1 ZINC001171180924 814067907 /nfs/dbraw/zinc/06/79/07/814067907.db2.gz DIMPZPCOKKRAQP-LBPRGKRZSA-N 0 3 252.321 2.069 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)CO[C@H](C)CC)C1 ZINC001100251436 814084152 /nfs/dbraw/zinc/08/41/52/814084152.db2.gz QUGDBPVJOHZPAW-PNESKVBLSA-N 0 3 288.819 2.038 20 30 CEEDHN C#CCCCCC(=O)NCC1CC(NCc2ccccn2)C1 ZINC001100259870 814086820 /nfs/dbraw/zinc/08/68/20/814086820.db2.gz WXZINZFBCQRYII-UHFFFAOYSA-N 0 3 299.418 2.260 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)CC[C@@H](C)OC)C1 ZINC001100266341 814088135 /nfs/dbraw/zinc/08/81/35/814088135.db2.gz HLUFSZHCXGJNDD-PNESKVBLSA-N 0 3 288.819 2.038 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](CC)CC(F)F)C[C@]2(C)C1 ZINC001101264686 814239356 /nfs/dbraw/zinc/23/93/56/814239356.db2.gz RBERPUZWZGOJIE-ZENOOKHLSA-N 0 3 298.377 2.081 20 30 CEEDHN CC#CCNCCNC(=O)c1ccc(-c2ccco2)s1 ZINC001146315949 814275882 /nfs/dbraw/zinc/27/58/82/814275882.db2.gz AIOQWAUEENMWQC-UHFFFAOYSA-N 0 3 288.372 2.351 20 30 CEEDHN CC1(CCC(=O)NCCNCc2ccc(C#N)cc2)CC1 ZINC001146465151 814287040 /nfs/dbraw/zinc/28/70/40/814287040.db2.gz POXOXUWCFQNCMS-UHFFFAOYSA-N 0 3 285.391 2.344 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)CCC(C)(F)F)C2)C1 ZINC001147803054 814501346 /nfs/dbraw/zinc/50/13/46/814501346.db2.gz BWFXGUYCFNXYRZ-UHFFFAOYSA-N 0 3 272.339 2.142 20 30 CEEDHN C=C/C(C)=C/CC(=O)N1CC2(C1)CCN(CC#CC)C2 ZINC001148053952 814520662 /nfs/dbraw/zinc/52/06/62/814520662.db2.gz WLFLCAWSNHJSPE-VIZOYTHASA-N 0 3 272.392 2.066 20 30 CEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CSC)C[C@H]1C ZINC001103854659 814537285 /nfs/dbraw/zinc/53/72/85/814537285.db2.gz QQVKQNJZVXCSMQ-ZYHUDNBSSA-N 0 3 290.860 2.176 20 30 CEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ccon2)C[C@H]1C ZINC001103937307 814553809 /nfs/dbraw/zinc/55/38/09/814553809.db2.gz WRGRVWJYQJOFGL-ZYHUDNBSSA-N 0 3 297.786 2.115 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)CC(C)C)C2)C1 ZINC001148497057 814575170 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ZINC001091994757 814684523 /nfs/dbraw/zinc/68/45/23/814684523.db2.gz SDVCIYNPUVFWMN-WBVHZDCISA-N 0 3 288.435 2.226 20 30 CEEDHN COCC#CCN(C)[C@@H](C)Cc1ccc(OC)cc1 ZINC001116406426 814851163 /nfs/dbraw/zinc/85/11/63/814851163.db2.gz IPHKDQHAKFMRBZ-AWEZNQCLSA-N 0 3 261.365 2.208 20 30 CEEDHN C=CCCC(=O)NCCNCc1cc(F)c(OC)c(F)c1 ZINC001124640408 815624570 /nfs/dbraw/zinc/62/45/70/815624570.db2.gz FSFUVSBPTORIIS-UHFFFAOYSA-N 0 3 298.333 2.145 20 30 CEEDHN COc1ccc(CN2CCN3CCCC[C@H]3C2)c(C#N)c1 ZINC001137703896 815668236 /nfs/dbraw/zinc/66/82/36/815668236.db2.gz YFOZHDGZABLBIU-INIZCTEOSA-N 0 3 285.391 2.237 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@H](O)CC2)cc1OC ZINC001138341200 815771127 /nfs/dbraw/zinc/77/11/27/815771127.db2.gz KGPPBBBPITVHLI-HNNXBMFYSA-N 0 3 289.375 2.054 20 30 CEEDHN C=CCc1cccc(CN2CC(CC(=O)OC)C2)c1O ZINC001138628538 815848381 /nfs/dbraw/zinc/84/83/81/815848381.db2.gz WNPVMPGTHVUPEG-UHFFFAOYSA-N 0 3 275.348 2.116 20 30 CEEDHN C=CCc1cccc(C[NH+]2CCC(C)(C(N)=O)CC2)c1[O-] ZINC001138629111 815849648 /nfs/dbraw/zinc/84/96/48/815849648.db2.gz OOXHLJJYJIZPQD-UHFFFAOYSA-N 0 3 288.391 2.208 20 30 CEEDHN C=C(C)COc1ccccc1CN1CC(N(C)C)C1 ZINC001138663206 815865380 /nfs/dbraw/zinc/86/53/80/815865380.db2.gz QUUFKNRILOJWDW-UHFFFAOYSA-N 0 3 260.381 2.387 20 30 CEEDHN N#C[C@H]1CCCN(Cc2ccc3nonc3c2)CC1 ZINC001139224588 815990840 /nfs/dbraw/zinc/99/08/40/815990840.db2.gz NYWTXPIQPPCDKR-NSHDSACASA-N 0 3 256.309 2.348 20 30 CEEDHN Cc1ccc(CN2CCC3SC(=O)C=C3C2)nc1 ZINC001139839860 816125884 /nfs/dbraw/zinc/12/58/84/816125884.db2.gz WSUULWCQHPASNJ-CYBMUJFWSA-N 0 3 260.362 2.164 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)c1ncc(C)cc1C ZINC001139869364 816131199 /nfs/dbraw/zinc/13/11/99/816131199.db2.gz HBYVIZPWQJLCBZ-UHFFFAOYSA-N 0 3 275.396 2.278 20 30 CEEDHN C#CC1CCN(Cc2n[nH]c3ccc(OC)cc32)CC1 ZINC001140071063 816187206 /nfs/dbraw/zinc/18/72/06/816187206.db2.gz VHKVYMRXSWIVDL-UHFFFAOYSA-N 0 3 269.348 2.417 20 30 CEEDHN C#CC1CCN(Cc2[nH]nc3ccc(OC)cc32)CC1 ZINC001140071063 816187208 /nfs/dbraw/zinc/18/72/08/816187208.db2.gz VHKVYMRXSWIVDL-UHFFFAOYSA-N 0 3 269.348 2.417 20 30 CEEDHN N#Cc1ncn(C2=CCN(Cc3ccccc3)CC2)c1N ZINC001175505313 816216926 /nfs/dbraw/zinc/21/69/26/816216926.db2.gz URIXZPCICZDDKY-UHFFFAOYSA-N 0 3 279.347 2.084 20 30 CEEDHN Cc1nn(C)c(C)c1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001203059855 816329685 /nfs/dbraw/zinc/32/96/85/816329685.db2.gz MJCMRXONQDYOIG-ZSOGYDGISA-N 0 3 258.369 2.304 20 30 CEEDHN CC(C)N(CCCO)Cc1cc(F)c(C#N)c(F)c1 ZINC001140753264 816345457 /nfs/dbraw/zinc/34/54/57/816345457.db2.gz DEHRPWGSZMYWAI-UHFFFAOYSA-N 0 3 268.307 2.429 20 30 CEEDHN CN(C)C1(C)CN(Cc2cccc(C#N)c2Cl)C1 ZINC001140809869 816372269 /nfs/dbraw/zinc/37/22/69/816372269.db2.gz KTCLOQKNJHAVRY-UHFFFAOYSA-N 0 3 263.772 2.348 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C)nc1C ZINC001176812436 816477681 /nfs/dbraw/zinc/47/76/81/816477681.db2.gz GSPHHEKGWXCJFF-UHFFFAOYSA-N 0 3 281.787 2.160 20 30 CEEDHN CC(=O)NCCCCCCNCc1cc(F)ccc1C#N ZINC001177696890 816608230 /nfs/dbraw/zinc/60/82/30/816608230.db2.gz QEIWYNHMCYWIRQ-UHFFFAOYSA-N 0 3 291.370 2.483 20 30 CEEDHN Cc1ncc(NC(=O)C(C#N)Cc2cccs2)nc1C ZINC001177904267 816639152 /nfs/dbraw/zinc/63/91/52/816639152.db2.gz NZJYWXTYKDYDHC-NSHDSACASA-N 0 3 286.360 2.476 20 30 CEEDHN C#C[C@H](CCC)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000229971642 816669125 /nfs/dbraw/zinc/66/91/25/816669125.db2.gz TYZMGWGKJLMHIW-OCCSQVGLSA-N 0 3 262.309 2.020 20 30 CEEDHN CC(C)N(C)CC(=O)NC(C)(C)c1ccc(C#N)cc1 ZINC001142588349 816690468 /nfs/dbraw/zinc/69/04/68/816690468.db2.gz SLBIQDQCILWHDD-UHFFFAOYSA-N 0 3 273.380 2.250 20 30 CEEDHN C[C@H]1[C@@H](NCc2cccnc2)CCN1C(=O)C#CC(C)(C)C ZINC001178671483 816777857 /nfs/dbraw/zinc/77/78/57/816777857.db2.gz BGLBTLVSJLBHKA-HOCLYGCPSA-N 0 3 299.418 2.210 20 30 CEEDHN C=CCN(CC=C)CCN1CCN(Cc2ccoc2)CC1 ZINC001204245007 816862768 /nfs/dbraw/zinc/86/27/68/816862768.db2.gz VSQWFYOXQWCGOO-UHFFFAOYSA-N 0 3 289.423 2.071 20 30 CEEDHN C#CCC[C@H](O)CNCc1cccc(OC)c1OC(F)F ZINC001179489061 816866675 /nfs/dbraw/zinc/86/66/75/816866675.db2.gz FGRRDOWDAYNWLO-LBPRGKRZSA-N 0 3 299.317 2.161 20 30 CEEDHN C#CCC[C@@H](O)CNCc1cc(C)c(Br)cn1 ZINC001179489208 816867824 /nfs/dbraw/zinc/86/78/24/816867824.db2.gz JPWGHIMXGUHVBL-GFCCVEGCSA-N 0 3 297.196 2.016 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@H](CC)N(C)C ZINC000124457531 187138589 /nfs/dbraw/zinc/13/85/89/187138589.db2.gz LBLZNXGTZWZCCV-AWEZNQCLSA-N 0 3 276.380 2.208 20 30 CEEDHN CC1(C)CN(Cc2ccc(CC#N)cc2)CC[C@@H]1O ZINC000336214619 365528607 /nfs/dbraw/zinc/52/86/07/365528607.db2.gz IRPIBXRARXXOJT-HNNXBMFYSA-N 0 3 258.365 2.345 20 30 CEEDHN C[C@H]1CN(C)CCN1CC#Cc1ccc(Cl)cc1 ZINC000336418380 365573483 /nfs/dbraw/zinc/57/34/83/365573483.db2.gz ISFGIMKAZWJBNV-ZDUSSCGKSA-N 0 3 262.784 2.327 20 30 CEEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)CC=C ZINC000121510712 365576654 /nfs/dbraw/zinc/57/66/54/365576654.db2.gz RSMYKARYUWDGQG-HNNXBMFYSA-N 0 3 261.365 2.273 20 30 CEEDHN C=CCn1c(SCCN(C)C)nnc1-c1ccccn1 ZINC000124867281 187158877 /nfs/dbraw/zinc/15/88/77/187158877.db2.gz GJYGFVWYNJCJCC-UHFFFAOYSA-N 0 3 289.408 2.180 20 30 CEEDHN C=CCC(C)(C)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000336536629 365613076 /nfs/dbraw/zinc/61/30/76/365613076.db2.gz PXKSTRKDHWVRQF-HNNXBMFYSA-N 0 3 250.386 2.143 20 30 CEEDHN C=CC1CCN(Cc2cnc(N3CCOCC3)s2)CC1 ZINC000124989129 365665079 /nfs/dbraw/zinc/66/50/79/365665079.db2.gz QQWHCEUJRRCHER-UHFFFAOYSA-N 0 3 293.436 2.378 20 30 CEEDHN C#CCCOc1ccc(CN(C)CCn2cccn2)cc1 ZINC000125294580 187178603 /nfs/dbraw/zinc/17/86/03/187178603.db2.gz ZNUYGIWSQXWFGU-UHFFFAOYSA-N 0 3 283.375 2.417 20 30 CEEDHN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1CCCCC#N ZINC000350479365 529384561 /nfs/dbraw/zinc/38/45/61/529384561.db2.gz OERMIEOFBRYBPZ-HUUCEWRRSA-N 0 3 265.401 2.402 20 30 CEEDHN C[C@@H](Cn1cccn1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037155377 361900512 /nfs/dbraw/zinc/90/05/12/361900512.db2.gz RXXBZHYXHWDKTP-STQMWFEESA-N 0 3 254.337 2.494 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000337905328 214306913 /nfs/dbraw/zinc/30/69/13/214306913.db2.gz UKSMKHVBPVGRRW-DOTOQJQBSA-N 0 3 297.402 2.423 20 30 CEEDHN CC(C#N)C(=O)N1CCC(Oc2ccccc2F)CC1 ZINC000601740471 346889785 /nfs/dbraw/zinc/88/97/85/346889785.db2.gz OILKMTHUXUZQHS-NSHDSACASA-N 0 3 276.311 2.355 20 30 CEEDHN CCC[C@H](CCO)NC(=O)C(C#N)CCc1ccccc1 ZINC000601713326 346886287 /nfs/dbraw/zinc/88/62/87/346886287.db2.gz PAAGFBJHGAQSCJ-JKSUJKDBSA-N 0 3 288.391 2.426 20 30 CEEDHN C[C@H](NCC(=O)Nc1nc2c(s1)CCC2)[C@@H]1CCCO1 ZINC000329680045 539246816 /nfs/dbraw/zinc/24/68/16/539246816.db2.gz REIIIIPXVCIYDH-ONGXEEELSA-N 0 3 295.408 2.377 20 30 CEEDHN O=C(CC1(N2CCOCC2)CCCC1)NC1CCOCC1 ZINC000329748773 539248857 /nfs/dbraw/zinc/24/88/57/539248857.db2.gz HBOQFTILQOKDPV-UHFFFAOYSA-N 0 3 296.411 2.157 20 30 CEEDHN COCC#CCN(CCO)[C@@H]1CCCc2ccccc21 ZINC000677818750 539269849 /nfs/dbraw/zinc/26/98/49/539269849.db2.gz HPORCKRIPPLJHG-QGZVFWFLSA-N 0 3 273.376 2.008 20 30 CEEDHN C=CCN(CCC(=O)NCC)Cc1cccs1 ZINC000046503122 362183556 /nfs/dbraw/zinc/18/35/56/362183556.db2.gz VSIYHNPKUGKUKS-UHFFFAOYSA-N 0 3 252.383 2.262 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2ccc(C#N)cc2)nc(C)n1 ZINC000041574219 343441502 /nfs/dbraw/zinc/44/15/02/343441502.db2.gz CQXPEFPYLXSEQD-CQSZACIVSA-N 0 3 276.299 2.455 20 30 CEEDHN C[C@H](NC[C@@H](O)C[C@@](C)(O)C1CC1)c1ccc(C#N)cc1 ZINC000601953186 346941496 /nfs/dbraw/zinc/94/14/96/346941496.db2.gz CDHXITZCPNIKMC-AFAVFJNCSA-N 0 3 288.391 2.121 20 30 CEEDHN C=CCOCC(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000601956224 346942289 /nfs/dbraw/zinc/94/22/89/346942289.db2.gz LGDZXIHRWZXERT-UHFFFAOYSA-N 0 3 288.391 2.316 20 30 CEEDHN C=C(C)CNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000156802009 136386413 /nfs/dbraw/zinc/38/64/13/136386413.db2.gz CSOGQCOAEGUXFP-UHFFFAOYSA-N 0 3 288.395 2.173 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000050026920 343540917 /nfs/dbraw/zinc/54/09/17/343540917.db2.gz BJDGPIOZOBBHAB-UHFFFAOYSA-N 0 3 260.312 2.109 20 30 CEEDHN Cc1ncc([C@@H](C)NC[C@@H](O)CC2(C#N)CC2)s1 ZINC000601969384 346946316 /nfs/dbraw/zinc/94/63/16/346946316.db2.gz QPHUPJVCYSHTCF-KOLCDFICSA-N 0 3 265.382 2.157 20 30 CEEDHN C=CC[C@@H](CO)NCc1cn(-c2cccc(F)c2)nc1C ZINC000414426655 539331383 /nfs/dbraw/zinc/33/13/83/539331383.db2.gz CRBIOBJWECFBDJ-HNNXBMFYSA-N 0 3 289.354 2.346 20 30 CEEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(C)(C)C#N)C1 ZINC000054223031 343586558 /nfs/dbraw/zinc/58/65/58/343586558.db2.gz RERCIPZCOXFMET-ZFWWWQNUSA-N 0 3 285.391 2.488 20 30 CEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000057553879 343633185 /nfs/dbraw/zinc/63/31/85/343633185.db2.gz CYHSTKLLZLDYCM-CQSZACIVSA-N 0 3 286.375 2.218 20 30 CEEDHN C=C(C)CN(CC)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000063651023 343680125 /nfs/dbraw/zinc/68/01/25/343680125.db2.gz URGBQWORPOOFFP-ZDUSSCGKSA-N 0 3 293.363 2.053 20 30 CEEDHN CC1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000060943189 343664355 /nfs/dbraw/zinc/66/43/55/343664355.db2.gz YNCVBVQMPKFWLL-MRXNPFEDSA-N 0 3 288.391 2.224 20 30 CEEDHN CC(C)CCN(CC(=O)N(CCC#N)CCC#N)C1CC1 ZINC000065588587 343699253 /nfs/dbraw/zinc/69/92/53/343699253.db2.gz OEVQKOYHPKLKJR-UHFFFAOYSA-N 0 3 290.411 2.153 20 30 CEEDHN C[C@@H](CC#N)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000064346924 343688495 /nfs/dbraw/zinc/68/84/95/343688495.db2.gz ZARWMKACIRJRHW-AWEZNQCLSA-N 0 3 285.391 2.317 20 30 CEEDHN C[C@H]1CCN(CCNCc2cccc(F)c2C#N)C1 ZINC000602010893 346957603 /nfs/dbraw/zinc/95/76/03/346957603.db2.gz FIJFVUQBLXJGJM-LBPRGKRZSA-N 0 3 261.344 2.129 20 30 CEEDHN CN1C[C@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](c2ccccc2)C1 ZINC000329028883 529824503 /nfs/dbraw/zinc/82/45/03/529824503.db2.gz PBLHXCTTWFQJRU-MCIONIFRSA-N 0 3 287.363 2.160 20 30 CEEDHN N#Cc1c(F)cccc1CN[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000602016711 346960908 /nfs/dbraw/zinc/96/09/08/346960908.db2.gz XTSCHOZOMMGGGY-CJNGLKHVSA-N 0 3 290.338 2.125 20 30 CEEDHN CC(C)N1CCCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000068799610 343773606 /nfs/dbraw/zinc/77/36/06/343773606.db2.gz JWNFDBSGCTWPJO-UHFFFAOYSA-N 0 3 271.364 2.115 20 30 CEEDHN C=CCNC(=O)NC(=O)CN(CC=C)CC1CCCCC1 ZINC000069860140 343791889 /nfs/dbraw/zinc/79/18/89/343791889.db2.gz QWJNYWDFJPYULY-UHFFFAOYSA-N 0 3 293.411 2.067 20 30 CEEDHN CN(CC(=O)NCC(C)(C)CCC#N)CC(C)(C)C ZINC000602155628 346983812 /nfs/dbraw/zinc/98/38/12/346983812.db2.gz PMLVRPWQODBZDD-UHFFFAOYSA-N 0 3 267.417 2.410 20 30 CEEDHN Cc1nnc(NCCN2CCC[C@@H](C)C2)c(C#N)c1C ZINC000076776268 343898016 /nfs/dbraw/zinc/89/80/16/343898016.db2.gz FGUFJUADEOEWPC-LLVKDONJSA-N 0 3 273.384 2.109 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2cccc3c2OCO3)nc(C)n1 ZINC000077432482 343920518 /nfs/dbraw/zinc/92/05/18/343920518.db2.gz WOLGIDBHDNDEJF-GFCCVEGCSA-N 0 3 295.298 2.312 20 30 CEEDHN C=CCN(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000081570970 344058325 /nfs/dbraw/zinc/05/83/25/344058325.db2.gz OXJBHRULMWKEDC-ZDUSSCGKSA-N 0 3 276.380 2.400 20 30 CEEDHN C#CCOc1ccccc1CN(C)C[C@@H]1CCC[C@@H]1O ZINC000091899618 344174099 /nfs/dbraw/zinc/17/40/99/344174099.db2.gz QXKMIACVYVXJEI-HOCLYGCPSA-N 0 3 273.376 2.291 20 30 CEEDHN N#CCCCOc1cccc(CN2CCC[C@H]2CO)c1 ZINC000092455733 344189964 /nfs/dbraw/zinc/18/99/64/344189964.db2.gz IITSLOBVMMEINM-HNNXBMFYSA-N 0 3 274.364 2.326 20 30 CEEDHN Cc1ccnc(N2CCN(C[C@H](C)CCC#N)CC2)c1 ZINC000602454112 347039590 /nfs/dbraw/zinc/03/95/90/347039590.db2.gz OPVSJJZFCSWQIE-OAHLLOKOSA-N 0 3 272.396 2.452 20 30 CEEDHN N#CCc1ccc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000108499239 344265874 /nfs/dbraw/zinc/26/58/74/344265874.db2.gz ZFUMCDZAXDBTIE-MRXNPFEDSA-N 0 3 298.390 2.358 20 30 CEEDHN CN1CCC[C@H](CNc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000125890777 344320940 /nfs/dbraw/zinc/32/09/40/344320940.db2.gz CWBVYZHMXSYQTJ-LLVKDONJSA-N 0 3 274.324 2.220 20 30 CEEDHN C[C@H](O)[C@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000130445776 344352996 /nfs/dbraw/zinc/35/29/96/344352996.db2.gz OHTUXMMDZPDZIB-GXFFZTMASA-N 0 3 250.367 2.355 20 30 CEEDHN CN(CCC1CCOCC1)Cc1cccc(C#N)n1 ZINC000602475724 347050008 /nfs/dbraw/zinc/05/00/08/347050008.db2.gz YSKFWCDOWLJXQC-UHFFFAOYSA-N 0 3 259.353 2.202 20 30 CEEDHN CC(C)(C)C(=O)N1CCC(NCc2ccc(C#N)o2)CC1 ZINC000135149182 344380177 /nfs/dbraw/zinc/38/01/77/344380177.db2.gz ARDGVIQWXOMXLZ-UHFFFAOYSA-N 0 3 289.379 2.278 20 30 CEEDHN CC(C)[C@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000143312579 344405305 /nfs/dbraw/zinc/40/53/05/344405305.db2.gz JVJNEXNHEHPVBT-CQSZACIVSA-N 0 3 277.412 2.449 20 30 CEEDHN C#CCN(C(=O)NC1CCN(CC)CC1)C1CCCC1 ZINC000162524053 344467430 /nfs/dbraw/zinc/46/74/30/344467430.db2.gz PNKDCDBGNCNCPR-UHFFFAOYSA-N 0 3 277.412 2.058 20 30 CEEDHN COCCOc1ncccc1CNC[C@H](C)CCC#N ZINC000602515805 347063650 /nfs/dbraw/zinc/06/36/50/347063650.db2.gz YNKQXWXOKJKQLO-CYBMUJFWSA-N 0 3 277.368 2.136 20 30 CEEDHN CCN1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000320013278 344751339 /nfs/dbraw/zinc/75/13/39/344751339.db2.gz JEBMRIVHKYDGIZ-LBPRGKRZSA-N 0 3 288.351 2.387 20 30 CEEDHN C[C@H](NC[C@H](O)COc1ccccc1C#N)c1cccnc1 ZINC000314533176 344745649 /nfs/dbraw/zinc/74/56/49/344745649.db2.gz HPPBGIMJBCQCKJ-BBRMVZONSA-N 0 3 297.358 2.044 20 30 CEEDHN CC1(C)CCC[C@H]1CCNC(=O)[C@@H](N)CCCC#N ZINC000602525912 347066764 /nfs/dbraw/zinc/06/67/64/347066764.db2.gz TXHQJEGNZCCXEI-STQMWFEESA-N 0 3 265.401 2.340 20 30 CEEDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1cccc(C#N)c1 ZINC000317632738 344749920 /nfs/dbraw/zinc/74/99/20/344749920.db2.gz RHXJZUOKOVVZFH-CPUCHLNUSA-N 0 3 299.374 2.029 20 30 CEEDHN C[C@@H]1CC(F)(F)CCN1C(=O)[C@@H](N)CCCCC#N ZINC000602546270 347071873 /nfs/dbraw/zinc/07/18/73/347071873.db2.gz IOMVHYYEXWUADE-MNOVXSKESA-N 0 3 273.327 2.044 20 30 CEEDHN CN1CCC(CC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000330114361 530048464 /nfs/dbraw/zinc/04/84/64/530048464.db2.gz DRVLGQSXDCECKQ-CYBMUJFWSA-N 0 3 295.427 2.074 20 30 CEEDHN Cc1noc(C)c1C[C@H](C)NCc1cccc(C#N)n1 ZINC000602553318 347074130 /nfs/dbraw/zinc/07/41/30/347074130.db2.gz SAKGJJJDDDOQQQ-JTQLQIEISA-N 0 3 270.336 2.279 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000390795142 344837656 /nfs/dbraw/zinc/83/76/56/344837656.db2.gz ZNWNJEVLGPKROA-FVQBIDKESA-N 0 3 285.391 2.315 20 30 CEEDHN CCN1CCN(Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000404017117 344877825 /nfs/dbraw/zinc/87/78/25/344877825.db2.gz RTJWWMAMLMLONZ-GFCCVEGCSA-N 0 3 261.344 2.223 20 30 CEEDHN CC(C)(NC(=O)[C@@H](N)CCCC#N)c1ccc(F)c(F)c1 ZINC000424118437 344897028 /nfs/dbraw/zinc/89/70/28/344897028.db2.gz CLADZJHBCYWPOC-ZDUSSCGKSA-N 0 3 295.333 2.337 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccccc1Cl)C1COC1 ZINC000519619967 344927472 /nfs/dbraw/zinc/92/74/72/344927472.db2.gz WZNIYIJLXLSTLC-SNVBAGLBSA-N 0 3 278.739 2.227 20 30 CEEDHN C[C@H]1C[C@H](C)CN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000584604454 344963665 /nfs/dbraw/zinc/96/36/65/344963665.db2.gz UYQFGXSVYCNVIE-RYUDHWBXSA-N 0 3 269.352 2.079 20 30 CEEDHN CC[C@H](Cn1cncn1)N[C@H]1CCc2cc(C#N)ccc21 ZINC000585726650 345012393 /nfs/dbraw/zinc/01/23/93/345012393.db2.gz VTHFEXHGVLGXMT-ZBFHGGJFSA-N 0 3 281.363 2.205 20 30 CEEDHN C[C@H](CCc1ccc2c(c1)OCO2)NC[C@H](C)C#N ZINC000054179502 362518188 /nfs/dbraw/zinc/51/81/88/362518188.db2.gz JQBFVBNOPNFTMM-VXGBXAGGSA-N 0 3 260.337 2.486 20 30 CEEDHN CC(C)[C@@H](CNCc1nc(C#N)cs1)c1ccnn1C ZINC000589317737 345077134 /nfs/dbraw/zinc/07/71/34/345077134.db2.gz HMZKKRBGWRBMGM-GFCCVEGCSA-N 0 3 289.408 2.278 20 30 CEEDHN C[C@H](NC(=O)CCCCCC#N)C1=CCN(C)CC1 ZINC000588758314 345054270 /nfs/dbraw/zinc/05/42/70/345054270.db2.gz VJFQCKYWFFBQCO-ZDUSSCGKSA-N 0 3 263.385 2.227 20 30 CEEDHN N#CC1(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000590133364 345116429 /nfs/dbraw/zinc/11/64/29/345116429.db2.gz RTSIVOCTMCSHNC-OAHLLOKOSA-N 0 3 283.375 2.071 20 30 CEEDHN N#C[C@H]1CC[C@H](N2CCC(C(N)=O)(c3ccccc3)CC2)C1 ZINC000590161805 345118799 /nfs/dbraw/zinc/11/87/99/345118799.db2.gz YVJYANSJUMPCLE-HOCLYGCPSA-N 0 3 297.402 2.198 20 30 CEEDHN CN1CCC(CC(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000589850291 345102334 /nfs/dbraw/zinc/10/23/34/345102334.db2.gz QPWUIFCOYWCVAZ-KRWDZBQOSA-N 0 3 297.402 2.394 20 30 CEEDHN C=CCN(CCC(=O)OC)Cc1ccc(OC)cc1 ZINC000056495643 362561223 /nfs/dbraw/zinc/56/12/23/362561223.db2.gz VBIOTMCRFYLCDP-UHFFFAOYSA-N 0 3 263.337 2.246 20 30 CEEDHN CCC#C[C@@H](C)N[C@H]1CCCC[C@H]1C(=O)OCC ZINC000590758221 345175979 /nfs/dbraw/zinc/17/59/79/345175979.db2.gz MKHXXWCBEMWNLT-MCIONIFRSA-N 0 3 251.370 2.500 20 30 CEEDHN N#Cc1ccc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)s1 ZINC000590381804 345132456 /nfs/dbraw/zinc/13/24/56/345132456.db2.gz ITKMUWZSEACZRT-CABCVRRESA-N 0 3 292.404 2.029 20 30 CEEDHN C[C@H](NC(=O)N1CCN[C@H](C)[C@H]1C)c1cccc(C#N)c1 ZINC000591354223 345243215 /nfs/dbraw/zinc/24/32/15/345243215.db2.gz XKUKTDVASZVAOC-FRRDWIJNSA-N 0 3 286.379 2.011 20 30 CEEDHN C[C@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)c1cccc(C#N)c1 ZINC000591354349 345243293 /nfs/dbraw/zinc/24/32/93/345243293.db2.gz IABYNHSIGMEODD-AGIUHOORSA-N 0 3 286.379 2.011 20 30 CEEDHN C[C@]1(C#N)CCCN(C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000591360304 345244492 /nfs/dbraw/zinc/24/44/92/345244492.db2.gz ITKRHYVVOFHOFS-QGZVFWFLSA-N 0 3 298.390 2.125 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cnc(C3CC3)s2)CC1 ZINC000592068464 345318376 /nfs/dbraw/zinc/31/83/76/345318376.db2.gz OLYJDUOFXFCBAQ-UHFFFAOYSA-N 0 3 291.420 2.401 20 30 CEEDHN CC(C)N(Cc1ccc(C(C)(C)C#N)cc1)C[C@@H](O)CO ZINC000591479466 345261450 /nfs/dbraw/zinc/26/14/50/345261450.db2.gz QDSWMARKCIJOMV-MRXNPFEDSA-N 0 3 290.407 2.051 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000591640116 345271947 /nfs/dbraw/zinc/27/19/47/345271947.db2.gz ADSPIKDFXZLHLK-XJKSGUPXSA-N 0 3 283.375 2.361 20 30 CEEDHN N#CCCNC[C@H]1CCCN(Cc2cccs2)C1 ZINC000591728762 345276109 /nfs/dbraw/zinc/27/61/09/345276109.db2.gz GKESAYLCLQJOQF-CYBMUJFWSA-N 0 3 263.410 2.463 20 30 CEEDHN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC[C@@H](C#N)CCC#N)C1 ZINC000591742745 345276665 /nfs/dbraw/zinc/27/66/65/345276665.db2.gz BJSJRFZDVMFKDR-RBSFLKMASA-N 0 3 290.411 2.103 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN1CCCC[C@H]1C1CCC1)C1CC1 ZINC000592197769 345336495 /nfs/dbraw/zinc/33/64/95/345336495.db2.gz JDIDPPHAQGMMRD-RDJZCZTQSA-N 0 3 289.423 2.449 20 30 CEEDHN C=CCN1CCC(NC(=O)NCc2ccc(Cl)o2)CC1 ZINC000592477355 345358766 /nfs/dbraw/zinc/35/87/66/345358766.db2.gz QRYAZMBKKOKKRR-UHFFFAOYSA-N 0 3 297.786 2.383 20 30 CEEDHN C[C@@H]1C[C@H](C)CCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592505527 345362304 /nfs/dbraw/zinc/36/23/04/345362304.db2.gz YOKHEAQKYFLIFV-CHWSQXEVSA-N 0 3 283.379 2.469 20 30 CEEDHN N#Cc1cnn2cc(CN3CCC[C@H](C4CC4)C3)cnc12 ZINC000592513820 345363226 /nfs/dbraw/zinc/36/32/26/345363226.db2.gz NIKFMBGBWFCGCN-AWEZNQCLSA-N 0 3 281.363 2.223 20 30 CEEDHN N#CC[C@]1(O)CCN(Cc2cccc3[nH]ccc32)C1 ZINC000592522768 345365126 /nfs/dbraw/zinc/36/51/26/345365126.db2.gz RPXVCJBGQCBRAW-HNNXBMFYSA-N 0 3 255.321 2.018 20 30 CEEDHN CCCc1cccc(CN2CC[C@@](O)(CC#N)C2)c1 ZINC000592522578 345365349 /nfs/dbraw/zinc/36/53/49/345365349.db2.gz OWYRWRRFXJZTEF-INIZCTEOSA-N 0 3 258.365 2.490 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CCC(C)(C)C ZINC000592145201 345328278 /nfs/dbraw/zinc/32/82/78/345328278.db2.gz MWACPEQYIKVONF-LBPRGKRZSA-N 0 3 265.401 2.305 20 30 CEEDHN C[C@H](CCc1ccccc1)N1CC[C@@](O)(CC#N)C1 ZINC000592148090 345329456 /nfs/dbraw/zinc/32/94/56/345329456.db2.gz VUJYQENHRLQANU-ZBFHGGJFSA-N 0 3 258.365 2.358 20 30 CEEDHN CC(C)CSCCCN1CC[C@@](O)(CC#N)C1 ZINC000592151557 345331036 /nfs/dbraw/zinc/33/10/36/345331036.db2.gz NMBQYTCELLMOQF-ZDUSSCGKSA-N 0 3 256.415 2.116 20 30 CEEDHN C[C@@H](CCC#N)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000593011752 345423358 /nfs/dbraw/zinc/42/33/58/345423358.db2.gz VBLZBGQUZGNMGY-STQMWFEESA-N 0 3 273.384 2.096 20 30 CEEDHN CC[C@@]1(NCc2ccc(C#N)cc2[N+](=O)[O-])CCOC1 ZINC000593026816 345425733 /nfs/dbraw/zinc/42/57/33/345425733.db2.gz GOMIRYATYJOVDS-CQSZACIVSA-N 0 3 275.308 2.125 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCc2ccccc2[C@@H](C)C1 ZINC000593095433 345437441 /nfs/dbraw/zinc/43/74/41/345437441.db2.gz MFZHMHHXZUSXRF-HNNXBMFYSA-N 0 3 299.418 2.410 20 30 CEEDHN Cc1ccc(CN(CC2CC2)C(=O)C(C)C#N)cn1 ZINC000592831207 345401903 /nfs/dbraw/zinc/40/19/03/345401903.db2.gz LILONDSEWDNYAH-NSHDSACASA-N 0 3 257.337 2.288 20 30 CEEDHN CN(CCN1CCCCC1)c1ncc2c(c1C#N)CCC2 ZINC000593514526 345501686 /nfs/dbraw/zinc/50/16/86/345501686.db2.gz FTNYDCHFHXAJRA-UHFFFAOYSA-N 0 3 284.407 2.364 20 30 CEEDHN CC(C)(C)[C@H](N)C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602578297 347086412 /nfs/dbraw/zinc/08/64/12/347086412.db2.gz XOSVOCPRLFIRLT-OAHLLOKOSA-N 0 3 285.391 2.011 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000593760909 345533934 /nfs/dbraw/zinc/53/39/34/345533934.db2.gz FNFRDEBARYJWAC-IAQYHMDHSA-N 0 3 260.312 2.475 20 30 CEEDHN C[C@H](C(=O)NCC1(C#N)CCCC1)N1CCCCCC1 ZINC000593780085 345536958 /nfs/dbraw/zinc/53/69/58/345536958.db2.gz VNMUBTLVBVMTAD-CQSZACIVSA-N 0 3 277.412 2.451 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000593883671 345548365 /nfs/dbraw/zinc/54/83/65/345548365.db2.gz RIAHGCFSFYADQO-QGZVFWFLSA-N 0 3 289.423 2.405 20 30 CEEDHN COc1cc(CN2CCC([C@H](C)CO)CC2)ccc1C#N ZINC000593675752 345519534 /nfs/dbraw/zinc/51/95/34/345519534.db2.gz CBKWRHAALGDXKK-CYBMUJFWSA-N 0 3 288.391 2.407 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594195216 345596833 /nfs/dbraw/zinc/59/68/33/345596833.db2.gz DKWCSWHVBOCBFS-UMVBOHGHSA-N 0 3 263.385 2.059 20 30 CEEDHN Cc1ccc(F)c(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594424337 345625285 /nfs/dbraw/zinc/62/52/85/345625285.db2.gz AWPFINIIMVRYJS-LBPRGKRZSA-N 0 3 263.316 2.484 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCCOC1CCCCC1 ZINC000594425441 345625545 /nfs/dbraw/zinc/62/55/45/345625545.db2.gz JASQZXHFADBTLO-OAHLLOKOSA-N 0 3 295.427 2.253 20 30 CEEDHN CN(Cc1cccc(F)c1)C(=O)[C@@H](N)CCCCC#N ZINC000594425314 345625669 /nfs/dbraw/zinc/62/56/69/345625669.db2.gz HJWDFZSDHBNOLQ-AWEZNQCLSA-N 0 3 277.343 2.195 20 30 CEEDHN Cc1c(NC(=O)[C@@H](N)CCCCC#N)cccc1[N+](=O)[O-] ZINC000594425056 345625799 /nfs/dbraw/zinc/62/57/99/345625799.db2.gz JMKUCVZHQZLIRP-NSHDSACASA-N 0 3 290.323 2.253 20 30 CEEDHN COc1ccccc1[C@@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594427072 345626410 /nfs/dbraw/zinc/62/64/10/345626410.db2.gz UIKNITBZGFNCFQ-TZMCWYRMSA-N 0 3 289.379 2.284 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@@H](Cc2ccccc2)C1 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CC(C)(C#N)C[C@@H](O)CN[C@@H](CO)c1ccc(Cl)cc1 ZINC000598604256 346382940 /nfs/dbraw/zinc/38/29/40/346382940.db2.gz PPRRVYUZIZAHLM-KGLIPLIRSA-N 0 3 296.798 2.264 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000598615780 346384836 /nfs/dbraw/zinc/38/48/36/346384836.db2.gz DZQRNTYBNIXHKU-ZNMIVQPWSA-N 0 3 292.423 2.321 20 30 CEEDHN CC[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)[C@H](CC)CO1 ZINC000598621749 346386268 /nfs/dbraw/zinc/38/62/68/346386268.db2.gz DCFBCFGHXJYVGY-HZSPNIEDSA-N 0 3 268.401 2.177 20 30 CEEDHN COc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1OC ZINC000598704865 346404598 /nfs/dbraw/zinc/40/45/98/346404598.db2.gz VRCGIGPMDTZCKT-ZDUSSCGKSA-N 0 3 292.379 2.094 20 30 CEEDHN CCOc1cccc(CNC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598715261 346406656 /nfs/dbraw/zinc/40/66/56/346406656.db2.gz NWFSAIDJPZQQKX-AWEZNQCLSA-N 0 3 276.380 2.476 20 30 CEEDHN Cc1ccc2c(c1)[C@H](NC[C@@H](O)CC(C)(C)C#N)CO2 ZINC000598727408 346410249 /nfs/dbraw/zinc/41/02/49/346410249.db2.gz XBJMMDMORMSVHR-GXTWGEPZSA-N 0 3 274.364 2.319 20 30 CEEDHN C[C@H](CC1(C#N)CCOCC1)NCCNc1ccccn1 ZINC000602595208 347092993 /nfs/dbraw/zinc/09/29/93/347092993.db2.gz XIDLZOOLTQAABS-CQSZACIVSA-N 0 3 288.395 2.182 20 30 CEEDHN N#Cc1ccc(C(F)(F)F)c(NCCN2CC[C@H](O)C2)c1 ZINC000599199275 346477967 /nfs/dbraw/zinc/47/79/67/346477967.db2.gz ITERMXIWJOQACM-NSHDSACASA-N 0 3 299.296 2.056 20 30 CEEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc(O)c1 ZINC000599349688 346503813 /nfs/dbraw/zinc/50/38/13/346503813.db2.gz QHIWKJZXIMWQIZ-FZMZJTMJSA-N 0 3 260.337 2.098 20 30 CEEDHN COC(=O)CC1(NCc2ccc(C)c(C#N)c2)CC1 ZINC000599450485 346523503 /nfs/dbraw/zinc/52/35/03/346523503.db2.gz HVQDRGMYZDSHJU-UHFFFAOYSA-N 0 3 258.321 2.052 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000599357860 346505616 /nfs/dbraw/zinc/50/56/16/346505616.db2.gz XJQAQOZGRKTKAE-KBPBESRZSA-N 0 3 294.782 2.018 20 30 CEEDHN COC(=O)[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599280909 346490272 /nfs/dbraw/zinc/49/02/72/346490272.db2.gz CSGNKOWVPIBZHS-CQSZACIVSA-N 0 3 272.348 2.252 20 30 CEEDHN N#Cc1cccc(CN[C@@H](CO)Cc2ccccc2)c1 ZINC000063218152 362760745 /nfs/dbraw/zinc/76/07/45/362760745.db2.gz UNKJEHRGNKXMQO-QGZVFWFLSA-N 0 3 266.344 2.251 20 30 CEEDHN Cc1ccc(CN(C)C[C@H]2CCC[C@@H]2O)cc1C#N ZINC000599340742 346502268 /nfs/dbraw/zinc/50/22/68/346502268.db2.gz ZTFIVTWRPVCQPT-ZBFHGGJFSA-N 0 3 258.365 2.460 20 30 CEEDHN N#CCc1cccc2c1CCN([C@@H]1CCCOC1)C2 ZINC000599677542 346562158 /nfs/dbraw/zinc/56/21/58/346562158.db2.gz LGJOWSWCXXQWSW-OAHLLOKOSA-N 0 3 256.349 2.290 20 30 CEEDHN Cc1nccn1CCN1CCc2c(CC#N)cccc2C1 ZINC000599678912 346562193 /nfs/dbraw/zinc/56/21/93/346562193.db2.gz ZGDTVMHDBYEJOX-UHFFFAOYSA-N 0 3 280.375 2.316 20 30 CEEDHN N#Cc1ccc(CCN2CCC[C@H]2c2ccc(=O)[nH]n2)cc1 ZINC000599638845 346551291 /nfs/dbraw/zinc/55/12/91/346551291.db2.gz VWDAIOBTENDXIY-INIZCTEOSA-N 0 3 294.358 2.433 20 30 CEEDHN CCC(C#N)(CC)C(=O)NCCN1CCCC1(C)C ZINC000599999278 346590599 /nfs/dbraw/zinc/59/05/99/346590599.db2.gz OIUCAHWOHXDNQQ-UHFFFAOYSA-N 0 3 265.401 2.307 20 30 CEEDHN C/C=C/C[C@@H]1CCCN(CC(=O)N(CC)CCC#N)C1 ZINC000599689552 346566838 /nfs/dbraw/zinc/56/68/38/346566838.db2.gz JMCICGRMLUHYEY-SJDLMVEWSA-N 0 3 277.412 2.427 20 30 CEEDHN N#CCC[C@@H](C#N)CNC[C@H]1CCN1C1CCCCC1 ZINC000600607413 346660920 /nfs/dbraw/zinc/66/09/20/346660920.db2.gz YBPHTWSDTPKMSH-GOEBONIOSA-N 0 3 274.412 2.427 20 30 CEEDHN N#CC1(C[C@@H](O)CNCc2ccccc2N2CCCC2)CC1 ZINC000600719993 346677569 /nfs/dbraw/zinc/67/75/69/346677569.db2.gz MOSKCGRKXWYVKU-MRXNPFEDSA-N 0 3 299.418 2.431 20 30 CEEDHN N#CC1(C[C@@H](O)CNCc2cnn(-c3ccccc3)c2)CC1 ZINC000600720377 346677982 /nfs/dbraw/zinc/67/79/82/346677982.db2.gz YTHAAYFFDZQKKQ-MRXNPFEDSA-N 0 3 296.374 2.017 20 30 CEEDHN Cc1ccc(-c2cnn(CCN(C)C)c2)cc1C#N ZINC000600791730 346691513 /nfs/dbraw/zinc/69/15/13/346691513.db2.gz GDNBMNFDHHCQIO-UHFFFAOYSA-N 0 3 254.337 2.292 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2ccnn2CC2CCC2)C1 ZINC000601129960 346763321 /nfs/dbraw/zinc/76/33/21/346763321.db2.gz YDZZGYSDHRRVEW-KGLIPLIRSA-N 0 3 258.369 2.465 20 30 CEEDHN CCN1C[C@@H](C)N(c2cc(C#N)nc(C3CC3)n2)C[C@@H]1C ZINC000601135463 346764773 /nfs/dbraw/zinc/76/47/73/346764773.db2.gz FKZFKJABWKRNAH-NWDGAFQWSA-N 0 3 285.395 2.145 20 30 CEEDHN N#CCc1ccccc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000601031581 346736291 /nfs/dbraw/zinc/73/62/91/346736291.db2.gz LBXZPENQBXBHLE-HNNXBMFYSA-N 0 3 283.375 2.063 20 30 CEEDHN N#Cc1cc(N[C@H]2CCCN3CCCC[C@@H]23)nc(C2CC2)n1 ZINC000601188803 346781547 /nfs/dbraw/zinc/78/15/47/346781547.db2.gz AZPRHZDGAKPNNF-GJZGRUSLSA-N 0 3 297.406 2.076 20 30 CEEDHN N#Cc1cccc(CNC[C@@H]2CCCCN2C2CC2)n1 ZINC000602633706 347114323 /nfs/dbraw/zinc/11/43/23/347114323.db2.gz NZJVZAVSTLXFIG-INIZCTEOSA-N 0 3 270.380 2.060 20 30 CEEDHN Cc1cccc(CN2CC[C@@H](Nc3ccc(C#N)cn3)C2)c1 ZINC000601240810 346800321 /nfs/dbraw/zinc/80/03/21/346800321.db2.gz XXNFVDQCVVXCES-QGZVFWFLSA-N 0 3 292.386 2.370 20 30 CEEDHN Cc1ccc(CN2CC[C@H](Nc3c(C#N)cnn3C)C2)cc1 ZINC000601250522 346802012 /nfs/dbraw/zinc/80/20/12/346802012.db2.gz NQWNCHUIYNAFDG-INIZCTEOSA-N 0 3 295.390 2.287 20 30 CEEDHN C[C@@H](CCC#N)CN1C[C@@H](C)OC2(CCOCC2)C1 ZINC000602645709 347121358 /nfs/dbraw/zinc/12/13/58/347121358.db2.gz YYTIDTOSNHDRPP-UONOGXRCSA-N 0 3 266.385 2.196 20 30 CEEDHN COc1cc(C[C@H](C)NCC2(C#N)CCC2)ccn1 ZINC000602698027 347154701 /nfs/dbraw/zinc/15/47/01/347154701.db2.gz WMUGEGOYIRGRCO-LBPRGKRZSA-N 0 3 259.353 2.305 20 30 CEEDHN N#Cc1cccc(CNC[C@H]2COc3ccccc32)n1 ZINC000602665815 347131503 /nfs/dbraw/zinc/13/15/03/347131503.db2.gz VZLNHGZRBLKGKM-LBPRGKRZSA-N 0 3 265.316 2.219 20 30 CEEDHN C[C@@H]1CCN(CC2(CC#N)CC2)C[C@@H]1n1ccnc1 ZINC000602794338 347200771 /nfs/dbraw/zinc/20/07/71/347200771.db2.gz ACQSENQYVWUSAW-KGLIPLIRSA-N 0 3 258.369 2.460 20 30 CEEDHN C[C@@H](CCC#N)CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602737227 347179486 /nfs/dbraw/zinc/17/94/86/347179486.db2.gz BLIDIWBRRAMWDM-GARJFASQSA-N 0 3 264.291 2.029 20 30 CEEDHN C[C@@H](CC#N)NCCCCCn1nnc(-c2ccccc2)n1 ZINC000602863334 347230025 /nfs/dbraw/zinc/23/00/25/347230025.db2.gz OPDDUFSELGWRFW-AWEZNQCLSA-N 0 3 298.394 2.402 20 30 CEEDHN C[C@@H](CC#N)NC[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000602871655 347232841 /nfs/dbraw/zinc/23/28/41/347232841.db2.gz TUDMUWYHDSCJEE-KBPBESRZSA-N 0 3 271.364 2.040 20 30 CEEDHN CCOCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908876 347244234 /nfs/dbraw/zinc/24/42/34/347244234.db2.gz VUNWPWONOMTBAF-UHFFFAOYSA-N 0 3 259.353 2.169 20 30 CEEDHN CCC1(N2CCOCC2)CCN(CC2(CC#N)CC2)CC1 ZINC000602919924 347247175 /nfs/dbraw/zinc/24/71/75/347247175.db2.gz YNAUJDODBXDSNQ-UHFFFAOYSA-N 0 3 291.439 2.257 20 30 CEEDHN CN1CCC2(CCCN2C(=O)Nc2ccnc(C#N)c2)CC1 ZINC000603128892 347292964 /nfs/dbraw/zinc/29/29/64/347292964.db2.gz AFVQOZIHPNYAIA-UHFFFAOYSA-N 0 3 299.378 2.045 20 30 CEEDHN C=CCCCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965380 347258665 /nfs/dbraw/zinc/25/86/65/347258665.db2.gz DMMFTDOWEKJUCU-AWEZNQCLSA-N 0 3 264.325 2.358 20 30 CEEDHN CC(C)(C)[C@@H](N)c1cn(Cc2ccc(C#N)cc2)nn1 ZINC000603161191 347300255 /nfs/dbraw/zinc/30/02/55/347300255.db2.gz LPCKYQUJDJQRJC-AWEZNQCLSA-N 0 3 269.352 2.244 20 30 CEEDHN N#Cc1ccc(F)c(Cn2cc(CNC3CCCC3)nn2)c1 ZINC000603191819 347303950 /nfs/dbraw/zinc/30/39/50/347303950.db2.gz KAXLLHRNUZBXQM-UHFFFAOYSA-N 0 3 299.353 2.369 20 30 CEEDHN CCC[C@@H](N)c1cn(CCOc2cccc(C#N)c2)nn1 ZINC000603208582 347309256 /nfs/dbraw/zinc/30/92/56/347309256.db2.gz LMODEYMPCWCYPA-CQSZACIVSA-N 0 3 285.351 2.029 20 30 CEEDHN CC(C)(C)[C@H](N)c1cn(Cc2ccc(CC#N)cc2)nn1 ZINC000603221662 347313307 /nfs/dbraw/zinc/31/33/07/347313307.db2.gz FPRZFDJNVXZUMK-OAHLLOKOSA-N 0 3 283.379 2.438 20 30 CEEDHN CC(C)[C@@H](N)c1cn([C@@H](C)c2cccc(C#N)c2)nn1 ZINC000603232372 347317216 /nfs/dbraw/zinc/31/72/16/347317216.db2.gz DLHOOWNCDDYZOO-XHDPSFHLSA-N 0 3 269.352 2.415 20 30 CEEDHN CC[C@](C)(N)c1cn(Cc2ccc(C#N)cc2C)nn1 ZINC000603236008 347318583 /nfs/dbraw/zinc/31/85/83/347318583.db2.gz LUPNKWYJXNOEFP-HNNXBMFYSA-N 0 3 269.352 2.090 20 30 CEEDHN CC(C)(C#N)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000604381388 347412451 /nfs/dbraw/zinc/41/24/51/347412451.db2.gz JATCAESPEGYVGY-UHFFFAOYSA-N 0 3 285.391 2.317 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000604500990 347417872 /nfs/dbraw/zinc/41/78/72/347417872.db2.gz DLJTXMROMCXQKC-CYBMUJFWSA-N 0 3 272.352 2.082 20 30 CEEDHN C[C@H](NCc1ccc(CC(N)=O)cc1)c1ccc(C#N)cc1 ZINC000608982446 347625187 /nfs/dbraw/zinc/62/51/87/347625187.db2.gz GTQOGZPEXYYIFA-ZDUSSCGKSA-N 0 3 293.370 2.437 20 30 CEEDHN N#CCN1CCC(NCc2cc(F)ccc2F)CC1 ZINC000609334824 347635567 /nfs/dbraw/zinc/63/55/67/347635567.db2.gz IZJSLOQMZASVQC-UHFFFAOYSA-N 0 3 265.307 2.042 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)c1cccc(C#N)c1 ZINC000609833643 347652573 /nfs/dbraw/zinc/65/25/73/347652573.db2.gz QREICFSBGWYSGS-HNNXBMFYSA-N 0 3 271.364 2.162 20 30 CEEDHN COc1cc(CN(C)C(=O)C(C)C#N)ccc1OC(F)F ZINC000609920454 347655645 /nfs/dbraw/zinc/65/56/45/347655645.db2.gz NCNMMOYBFLPPIZ-SECBINFHSA-N 0 3 298.289 2.415 20 30 CEEDHN CC(C#N)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000610445939 347682059 /nfs/dbraw/zinc/68/20/59/347682059.db2.gz KVZKAYNKSYBQHP-LSDHHAIUSA-N 0 3 285.391 2.269 20 30 CEEDHN CO[C@H](CNC(=O)C(C)C#N)c1ccccc1Cl ZINC000610791592 347715583 /nfs/dbraw/zinc/71/55/83/347715583.db2.gz COPOFCKLASARLE-JOYOIKCWSA-N 0 3 266.728 2.303 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612364689 347874123 /nfs/dbraw/zinc/87/41/23/347874123.db2.gz CCXHCJRTKZMPMO-HIFRSBDPSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@@H](N[C@@H](Cc1ccccc1)C(N)=O)c1cccc(C#N)c1 ZINC000612462074 347890431 /nfs/dbraw/zinc/89/04/31/347890431.db2.gz IYLDOLDINQMQJU-DYVFJYSZSA-N 0 3 293.370 2.305 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCN(C2CCC2)CC1 ZINC000336893245 365937149 /nfs/dbraw/zinc/93/71/49/365937149.db2.gz KMSWWLRSHNAHQV-UHFFFAOYSA-N 0 3 285.391 2.237 20 30 CEEDHN COCCOc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cn1 ZINC000613255078 348009588 /nfs/dbraw/zinc/00/95/88/348009588.db2.gz FLEMYXLRBKHJEH-ZFWWWQNUSA-N 0 3 289.379 2.279 20 30 CEEDHN C[C@H](c1ccccc1)[C@H](CO)NCc1ccnc(C#N)c1 ZINC000613390212 348037753 /nfs/dbraw/zinc/03/77/53/348037753.db2.gz ZRUKUGJGOYYJOV-DYVFJYSZSA-N 0 3 281.359 2.207 20 30 CEEDHN CN(C)CCOCCNc1nc(C(C)(C)C)ccc1C#N ZINC000613429576 348045464 /nfs/dbraw/zinc/04/54/64/348045464.db2.gz YBINHKKRSTVTKP-UHFFFAOYSA-N 0 3 290.411 2.241 20 30 CEEDHN C[C@H]1CCCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000568765661 299151960 /nfs/dbraw/zinc/15/19/60/299151960.db2.gz SRBKNUHAYZQGOI-LBPRGKRZSA-N 0 3 269.352 2.223 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000066313428 362859953 /nfs/dbraw/zinc/85/99/53/362859953.db2.gz FWPXOHWGDUZYPF-CQSZACIVSA-N 0 3 290.407 2.346 20 30 CEEDHN Cc1ccnc(N[C@@H]2CN(C(C)C)C[C@H]2C)c1C#N ZINC000273340482 192118788 /nfs/dbraw/zinc/11/87/88/192118788.db2.gz NPCOFOVVZYFWJL-TZMCWYRMSA-N 0 3 258.369 2.402 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)nc1 ZINC000615092287 348279207 /nfs/dbraw/zinc/27/92/07/348279207.db2.gz WNFIXSAEYXFMIN-BZUAXINKSA-N 0 3 283.375 2.391 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)nc1 ZINC000615092289 348279804 /nfs/dbraw/zinc/27/98/04/348279804.db2.gz WNFIXSAEYXFMIN-XHSDSOJGSA-N 0 3 283.375 2.391 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCN(CCO)C(C)(C)C1 ZINC000615447498 348329430 /nfs/dbraw/zinc/32/94/30/348329430.db2.gz GTSDPOKFMMKLLN-CQSZACIVSA-N 0 3 287.407 2.008 20 30 CEEDHN C=C(C)COCCNCc1cnn(CC(F)(F)F)c1 ZINC000336810789 539633176 /nfs/dbraw/zinc/63/31/76/539633176.db2.gz JJICIKARADSPGX-UHFFFAOYSA-N 0 3 277.290 2.128 20 30 CEEDHN C=C(C)CN1CCC(NCc2cc(C(=O)OC)co2)CC1 ZINC000273431809 192147494 /nfs/dbraw/zinc/14/74/94/192147494.db2.gz UKFWBNQIRWFBPY-UHFFFAOYSA-N 0 3 292.379 2.196 20 30 CEEDHN C=CCCC1(CNC(=O)C(C)S(C)(=O)=O)CCCC1 ZINC000617416228 348701740 /nfs/dbraw/zinc/70/17/40/348701740.db2.gz GSORCICDJZBXFI-LBPRGKRZSA-N 0 3 287.425 2.062 20 30 CEEDHN CC(C)[C@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)N1CCCC1 ZINC000618571653 348978929 /nfs/dbraw/zinc/97/89/29/348978929.db2.gz FSOWLOMLOJKGKR-ZNMIVQPWSA-N 0 3 277.412 2.305 20 30 CEEDHN CN1CCN(c2ccncc2N[C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000618574585 348980286 /nfs/dbraw/zinc/98/02/86/348980286.db2.gz DCAABDNPTDUSPT-HUUCEWRRSA-N 0 3 299.422 2.328 20 30 CEEDHN C[C@H](CC(=O)N(C)C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618801928 349043345 /nfs/dbraw/zinc/04/33/45/349043345.db2.gz CEFCZFVKQXCLAB-ABAIWWIYSA-N 0 3 271.364 2.002 20 30 CEEDHN C[C@@H](C(=O)N1CCC[C@H]1CN(C)C)c1cccc(C#N)c1 ZINC000362753309 233174384 /nfs/dbraw/zinc/17/43/84/233174384.db2.gz RYCQZJOHDXKCIU-CJNGLKHVSA-N 0 3 285.391 2.214 20 30 CEEDHN C=C(Br)CN[C@H](C)[C@H](C)C(=O)OCC ZINC000273974985 192385585 /nfs/dbraw/zinc/38/55/85/192385585.db2.gz HXSSNZNPWBBOCE-DTWKUNHWSA-N 0 3 264.163 2.072 20 30 CEEDHN C=CC(C)(C)CCNC(=O)NC[C@@H]1CCCN1CC ZINC000623395175 350007617 /nfs/dbraw/zinc/00/76/17/350007617.db2.gz AGRRVBBZGWKHLF-ZDUSSCGKSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000623462389 350026132 /nfs/dbraw/zinc/02/61/32/350026132.db2.gz IPANCWRUGWTABA-LSDHHAIUSA-N 0 3 279.428 2.326 20 30 CEEDHN C=CCc1cc(CN2CC[C@H](OC)C2)cc(OC)c1O ZINC000271208525 191001945 /nfs/dbraw/zinc/00/19/45/191001945.db2.gz XGOWCDBNJFBBCH-AWEZNQCLSA-N 0 3 277.364 2.350 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000623727350 350094396 /nfs/dbraw/zinc/09/43/96/350094396.db2.gz VOUVWZAVWHYDCE-CHWSQXEVSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CC(C)(C)CCNC(=O)NCC1(N(C)C)CCC1 ZINC000623916671 350142915 /nfs/dbraw/zinc/14/29/15/350142915.db2.gz WAUSQZHNTAXDKF-UHFFFAOYSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000624323951 350259971 /nfs/dbraw/zinc/25/99/71/350259971.db2.gz DFIASSSUQMGKQB-KBPBESRZSA-N 0 3 279.428 2.467 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000624782359 350360382 /nfs/dbraw/zinc/36/03/82/350360382.db2.gz ISYIMTRCFDPFID-AWEZNQCLSA-N 0 3 265.401 2.221 20 30 CEEDHN N#Cc1ccc(CN2CCCN(c3cccnn3)CC2)cc1 ZINC000105798422 186071933 /nfs/dbraw/zinc/07/19/33/186071933.db2.gz TUIOYQUNAHQVHR-UHFFFAOYSA-N 0 3 293.374 2.061 20 30 CEEDHN C#CCOc1ccc(CN(CC)CCC(=O)OC)cc1 ZINC000092380151 180371447 /nfs/dbraw/zinc/37/14/47/180371447.db2.gz JJTJCDLMDCVCBC-UHFFFAOYSA-N 0 3 275.348 2.084 20 30 CEEDHN CCCN(CC(=O)N(C)C)CC(C)(C)CCC#N ZINC000092382538 180372347 /nfs/dbraw/zinc/37/23/47/180372347.db2.gz ACECWFWTYDZAKK-UHFFFAOYSA-N 0 3 253.390 2.117 20 30 CEEDHN Cc1noc(C)c1CCNCc1cccc(C#N)c1 ZINC000107321437 186169289 /nfs/dbraw/zinc/16/92/89/186169289.db2.gz OJBPYGRKFXNYKJ-UHFFFAOYSA-N 0 3 255.321 2.495 20 30 CEEDHN C=CCOc1ccc(CN2CCC[C@H]2CO)cc1OC ZINC000092455842 180388942 /nfs/dbraw/zinc/38/89/42/180388942.db2.gz ZPFOFIKEUVZCDE-AWEZNQCLSA-N 0 3 277.364 2.217 20 30 CEEDHN COC[C@@H]1CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000130473536 365961045 /nfs/dbraw/zinc/96/10/45/365961045.db2.gz SMHVYCLKIVQALC-CYBMUJFWSA-N 0 3 260.337 2.035 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)N2CCCCCC2)C1 ZINC000625699441 350549313 /nfs/dbraw/zinc/54/93/13/350549313.db2.gz FIMSZMVGVHOBSB-AWEZNQCLSA-N 0 3 250.386 2.287 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](OCCC)CC1 ZINC000108398617 186215365 /nfs/dbraw/zinc/21/53/65/186215365.db2.gz ADNSLXOXHCHOPG-INIZCTEOSA-N 0 3 294.439 2.468 20 30 CEEDHN CCC#C[C@@H](C)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000625991461 350622409 /nfs/dbraw/zinc/62/24/09/350622409.db2.gz VROIEAUEJVMUBN-KYOSRNDESA-N 0 3 260.337 2.009 20 30 CEEDHN C=CC(C)(C)CCNC(=O)Nc1cnn(CCN(C)C)c1 ZINC000626415646 350722930 /nfs/dbraw/zinc/72/29/30/350722930.db2.gz LUEBVKNPNYBFIJ-UHFFFAOYSA-N 0 3 293.415 2.169 20 30 CEEDHN C=CCN(CC(=O)NC1CC1)CC1CCCCC1 ZINC000069859929 363008791 /nfs/dbraw/zinc/00/87/91/363008791.db2.gz YRNAYCFAOYUCRA-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1C[C@H](C)C[C@H](C)C1 ZINC000069874651 363009974 /nfs/dbraw/zinc/00/99/74/363009974.db2.gz LGSJEUUKDMKTSG-OKILXGFUSA-N 0 3 250.386 2.165 20 30 CEEDHN C=CCCC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000628546072 351135423 /nfs/dbraw/zinc/13/54/23/351135423.db2.gz MQVRYBPHYDOMQF-CQSZACIVSA-N 0 3 250.386 2.476 20 30 CEEDHN CC[C@@H](N[C@@H]1COC[C@H]1OC)c1ccc(C#N)cc1 ZINC000569102726 299179646 /nfs/dbraw/zinc/17/96/46/299179646.db2.gz VGMLINIDJRLRBR-RBSFLKMASA-N 0 3 260.337 2.013 20 30 CEEDHN C[C@H]1[C@H](C)N(CCCC2(C#N)CCOCC2)CCN1C ZINC000337172069 366051119 /nfs/dbraw/zinc/05/11/19/366051119.db2.gz FEFWLNLRPYCMKV-GJZGRUSLSA-N 0 3 279.428 2.111 20 30 CEEDHN C=CCN1CC[C@@H](N2CCCCC(C)(C)C2)C1=O ZINC000337213920 366080538 /nfs/dbraw/zinc/08/05/38/366080538.db2.gz WVYQUMMLBUHSGV-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C(C)CN[C@H](CN1CCOCC1)c1ccccc1 ZINC000122549314 187037890 /nfs/dbraw/zinc/03/78/90/187037890.db2.gz FSQFQGRXEGNTBF-MRXNPFEDSA-N 0 3 260.381 2.226 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccsc2COC)CC1 ZINC000630941871 351896419 /nfs/dbraw/zinc/89/64/19/351896419.db2.gz FLEJDJPECJEWRS-UHFFFAOYSA-N 0 3 294.420 2.275 20 30 CEEDHN C=CCCC[C@@H](C)NCc1cn(C[C@H]2CCOC2)nn1 ZINC000631108993 351967066 /nfs/dbraw/zinc/96/70/66/351967066.db2.gz WQOFTZDCYGCKGG-ZIAGYGMSSA-N 0 3 278.400 2.149 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1nocc1C)C(C)C ZINC000631274794 352048960 /nfs/dbraw/zinc/04/89/60/352048960.db2.gz STAHUUKEKAKYLP-AWEZNQCLSA-N 0 3 291.395 2.411 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2OCC[C@H]2C(C)C)CC1 ZINC000353317541 539952482 /nfs/dbraw/zinc/95/24/82/539952482.db2.gz WEPZZELLYGFMNI-HOTGVXAUSA-N 0 3 294.439 2.204 20 30 CEEDHN CC(=O)c1ccc(C#N)c(N2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292217123 198205638 /nfs/dbraw/zinc/20/56/38/198205638.db2.gz HVLJVHWGPIJCRW-QGZVFWFLSA-N 0 3 283.375 2.293 20 30 CEEDHN C#CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000154860963 188166748 /nfs/dbraw/zinc/16/67/48/188166748.db2.gz BTNCMZAHRYYTPC-RDJZCZTQSA-N 0 3 299.418 2.314 20 30 CEEDHN C=C(C)CNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000156712343 188278343 /nfs/dbraw/zinc/27/83/43/188278343.db2.gz XMDVPLVULHSWAE-AWEZNQCLSA-N 0 3 275.396 2.382 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C)(OC)CC1 ZINC000271711147 191285181 /nfs/dbraw/zinc/28/51/81/191285181.db2.gz JBHIRWLIWBFOJS-AWEZNQCLSA-N 0 3 280.412 2.076 20 30 CEEDHN C#CCCOc1ccc(CN(C)[C@H]2CCOC2)cc1 ZINC000132124295 366119607 /nfs/dbraw/zinc/11/96/07/366119607.db2.gz FGXMFXKEEDCJAV-HNNXBMFYSA-N 0 3 259.349 2.309 20 30 CEEDHN C=CCCN(CC)CC(=O)NCc1ccc(F)cc1 ZINC000132334965 366136370 /nfs/dbraw/zinc/13/63/70/366136370.db2.gz AHRMLVZYGVXBQS-UHFFFAOYSA-N 0 3 264.344 2.340 20 30 CEEDHN CC(C#N)C(=O)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000337691264 366169145 /nfs/dbraw/zinc/16/91/45/366169145.db2.gz MRNWWWRGUJGDRB-NHYWBVRUSA-N 0 3 292.766 2.317 20 30 CEEDHN Cc1noc(CCCNC2(c3cccc(C#N)c3)CC2)n1 ZINC000271836883 191356686 /nfs/dbraw/zinc/35/66/86/191356686.db2.gz VIVUNBIYSJGESX-UHFFFAOYSA-N 0 3 282.347 2.461 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(O)c(C)c2)CC1 ZINC000272378062 191687695 /nfs/dbraw/zinc/68/76/95/191687695.db2.gz FGMQGDKXALAUBN-UHFFFAOYSA-N 0 3 274.364 2.081 20 30 CEEDHN C=CCOc1ccccc1CNCCC(=O)NC(C)C ZINC000075771310 363487286 /nfs/dbraw/zinc/48/72/86/363487286.db2.gz DRFNFTMFXFJUDW-UHFFFAOYSA-N 0 3 276.380 2.256 20 30 CEEDHN CC[C@@]1(C)CCCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000075998461 363506079 /nfs/dbraw/zinc/50/60/79/363506079.db2.gz GHTLFLHWYAHHLB-ZFWWWQNUSA-N 0 3 265.401 2.259 20 30 CEEDHN N#Cc1ccccc1CN1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000336326080 213171139 /nfs/dbraw/zinc/17/11/39/213171139.db2.gz FGMXJQUGOXDDNH-JKSUJKDBSA-N 0 3 283.375 2.049 20 30 CEEDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(C#N)c(F)c1 ZINC000336311065 213153979 /nfs/dbraw/zinc/15/39/79/213153979.db2.gz LKBZIDVWTCBFCO-NWDGAFQWSA-N 0 3 261.344 2.222 20 30 CEEDHN C=CCOc1ccccc1C(=O)N[C@@H]1CN(CC)C[C@H]1C ZINC000674832271 538893055 /nfs/dbraw/zinc/89/30/55/538893055.db2.gz GTSZMRBQWNFMPH-UKRRQHHQSA-N 0 3 288.391 2.321 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C[C@H](C)[C@H]2CCCO2)CC1 ZINC000668369874 538894105 /nfs/dbraw/zinc/89/41/05/538894105.db2.gz HLYWHJXGCZCSLP-GOEBONIOSA-N 0 3 294.439 2.348 20 30 CEEDHN N#Cc1cc(N[C@H]2CCN(Cc3ccccc3)C2)ncn1 ZINC000306500687 540333551 /nfs/dbraw/zinc/33/35/51/540333551.db2.gz YVLZFBLCAAVSPV-AWEZNQCLSA-N 0 3 279.347 2.035 20 30 CEEDHN COC[C@@H]1CCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000135077190 366393028 /nfs/dbraw/zinc/39/30/28/366393028.db2.gz JAALRAFRSORCRW-CQSZACIVSA-N 0 3 274.364 2.425 20 30 CEEDHN N#Cc1ccc(CN2CCCC3(CCOCC3)C2)nc1 ZINC000570859940 299281805 /nfs/dbraw/zinc/28/18/05/299281805.db2.gz PCYWDMROZMEHHY-UHFFFAOYSA-N 0 3 271.364 2.346 20 30 CEEDHN CN(CCCSCC#N)[C@H]1CCCc2c1cnn2C ZINC000135618796 366461577 /nfs/dbraw/zinc/46/15/77/366461577.db2.gz YHGWWQZJQLQWCY-ZDUSSCGKSA-N 0 3 278.425 2.376 20 30 CEEDHN C[C@@H](CNc1nccnc1C#N)N1CCCC[C@H]1C ZINC000338722668 366489802 /nfs/dbraw/zinc/48/98/02/366489802.db2.gz WCXUSYQHXOPLAN-NEPJUHHUSA-N 0 3 259.357 2.023 20 30 CEEDHN COCC#CCN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000671719310 540491379 /nfs/dbraw/zinc/49/13/79/540491379.db2.gz UKYRANHUFPHJRG-SQNIBIBYSA-N 0 3 285.387 2.141 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671760622 540504691 /nfs/dbraw/zinc/50/46/91/540504691.db2.gz VRLCHHASOFLXTJ-GXSJLCMTSA-N 0 3 262.309 2.121 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCN(CC(F)F)C2)c(F)c1 ZINC000418138106 237318278 /nfs/dbraw/zinc/31/82/78/237318278.db2.gz SFCAJVHTOOKWCK-LBPRGKRZSA-N 0 3 283.297 2.126 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCN1C ZINC000578736280 366539744 /nfs/dbraw/zinc/53/97/44/366539744.db2.gz FMTYXYOMNBWGCG-NKKGCODLSA-N 0 3 297.402 2.261 20 30 CEEDHN C=CCCCCN(CCO)Cc1cnn(CC)c1 ZINC000578954617 366570386 /nfs/dbraw/zinc/57/03/86/366570386.db2.gz JCDKXZGWIHRIJY-UHFFFAOYSA-N 0 3 251.374 2.054 20 30 CEEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H]1CCCNC1=O ZINC000579088694 366590314 /nfs/dbraw/zinc/59/03/14/366590314.db2.gz JKCVGXHRQCTZDY-ZACQAIPSSA-N 0 3 297.402 2.284 20 30 CEEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)CN1C1CC1 ZINC000151157174 366625264 /nfs/dbraw/zinc/62/52/64/366625264.db2.gz BCJBCRQCVSQUJA-BXUZGUMPSA-N 0 3 273.355 2.412 20 30 CEEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)s2)CN1C1CC1 ZINC000151116028 366622424 /nfs/dbraw/zinc/62/24/24/366622424.db2.gz ADSKKDHHWUVYRQ-MNOVXSKESA-N 0 3 261.394 2.335 20 30 CEEDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000178430196 189115821 /nfs/dbraw/zinc/11/58/21/189115821.db2.gz WNNHNQKLYJNZIX-AWEZNQCLSA-N 0 3 299.418 2.495 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@H](CC)CN1CCCC1 ZINC000675197232 540815994 /nfs/dbraw/zinc/81/59/94/540815994.db2.gz LYGCFKVDJLTYIF-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN C=CCNC(=O)CN[C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000180037897 189233619 /nfs/dbraw/zinc/23/36/19/189233619.db2.gz GMMSKNPRAKJBDR-INIZCTEOSA-N 0 3 272.392 2.208 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000180033570 189233645 /nfs/dbraw/zinc/23/36/45/189233645.db2.gz SQIYRUWUZSMGDZ-CHWSQXEVSA-N 0 3 276.380 2.079 20 30 CEEDHN CCC#C[C@@H](C)N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000677047702 540976032 /nfs/dbraw/zinc/97/60/32/540976032.db2.gz GJZFAGQGHPGZHM-CABCVRRESA-N 0 3 264.413 2.273 20 30 CEEDHN COCC#CCN1CCC(c2ccc(O)cc2)CC1 ZINC000677480493 541018818 /nfs/dbraw/zinc/01/88/18/541018818.db2.gz XXSYYYNQIUKSMN-UHFFFAOYSA-N 0 3 259.349 2.221 20 30 CEEDHN N#Cc1c(F)cccc1N1CCN(c2ccncc2)CC1 ZINC000007365418 361339581 /nfs/dbraw/zinc/33/95/81/361339581.db2.gz SUMGWMOPMUWOBQ-UHFFFAOYSA-N 0 3 282.322 2.419 20 30 CEEDHN C#Cc1cccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)c1 ZINC000154047995 366754642 /nfs/dbraw/zinc/75/46/42/366754642.db2.gz LTWCOUWFFZOJBX-KRWDZBQOSA-N 0 3 298.386 2.250 20 30 CEEDHN C=CCN(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000154895274 366797011 /nfs/dbraw/zinc/79/70/11/366797011.db2.gz FKSQIIHJTRNDKN-MRXNPFEDSA-N 0 3 287.407 2.478 20 30 CEEDHN Cc1ccc([C@H](CNc2ccc(C#N)nn2)N(C)C)cc1 ZINC000302005499 201294934 /nfs/dbraw/zinc/29/49/34/201294934.db2.gz SRLUSZPRWWLDQJ-HNNXBMFYSA-N 0 3 281.363 2.372 20 30 CEEDHN C[C@@H](CNC(=O)c1cc(C#N)cs1)N1CCC[C@@H](C)C1 ZINC000084181260 363800088 /nfs/dbraw/zinc/80/00/88/363800088.db2.gz ZZLDPABHMICNSZ-NEPJUHHUSA-N 0 3 291.420 2.470 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc(C#N)cs1 ZINC000084189393 363801995 /nfs/dbraw/zinc/80/19/95/363801995.db2.gz PWTBJFSLGSDOLN-LLVKDONJSA-N 0 3 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265.382 2.310 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000637321171 369898235 /nfs/dbraw/zinc/89/82/35/369898235.db2.gz UAPXFDCBVMJBOO-CQSZACIVSA-N 0 3 279.428 2.468 20 30 CEEDHN CNC(=O)CC[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000353181361 370059500 /nfs/dbraw/zinc/05/95/00/370059500.db2.gz LVGKDYHQTUBTBI-MRXNPFEDSA-N 0 3 285.391 2.439 20 30 CEEDHN C[C@H](CCN[C@@H]1CCc2ccc(C#N)cc21)[S@@](C)=O ZINC000353260713 370101899 /nfs/dbraw/zinc/10/18/99/370101899.db2.gz GACVPRZFUOHFPD-PRIMNGNOSA-N 0 3 276.405 2.292 20 30 CEEDHN C=CCNC(=O)CN[C@@H](C)CCc1ccc(F)cc1F ZINC000353655519 370121184 /nfs/dbraw/zinc/12/11/84/370121184.db2.gz PKQWOGPRKRNWTL-NSHDSACASA-N 0 3 282.334 2.178 20 30 CEEDHN CC(C)N(C)CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000195308925 370124414 /nfs/dbraw/zinc/12/44/14/370124414.db2.gz NKSHUZUDOGXOKS-UHFFFAOYSA-N 0 3 285.391 2.389 20 30 CEEDHN C=CCOc1ccccc1CNC[C@@H]1CCCN1C ZINC000221155655 370238741 /nfs/dbraw/zinc/23/87/41/370238741.db2.gz QWJHWZGRVLISGZ-HNNXBMFYSA-N 0 3 260.381 2.435 20 30 CEEDHN CC[C@@H](CC(F)(F)F)N[C@H](C)C(=O)N(C)CCC#N ZINC000354562453 370411892 /nfs/dbraw/zinc/41/18/92/370411892.db2.gz HWPLTKXNCGKEOG-ZJUUUORDSA-N 0 3 279.306 2.068 20 30 CEEDHN CCCCCN1CCN(c2cccc(C#N)n2)CC1 ZINC000355094116 370501146 /nfs/dbraw/zinc/50/11/46/370501146.db2.gz FOLQKGQEIXPOHF-UHFFFAOYSA-N 0 3 258.369 2.265 20 30 CEEDHN CN(CCNC(=O)C[C@H](CC#N)c1ccccc1)C1CC1 ZINC000355139135 370518525 /nfs/dbraw/zinc/51/85/25/370518525.db2.gz VPPSJMBZTNUABL-HNNXBMFYSA-N 0 3 285.391 2.284 20 30 CEEDHN COc1cccc(Cl)c1CNC(=O)C(C)C#N ZINC000234885012 370546754 /nfs/dbraw/zinc/54/67/54/370546754.db2.gz YKDRMMKRRFXYGN-QMMMGPOBSA-N 0 3 252.701 2.124 20 30 CEEDHN CCCCN(C)CCNC(=O)N1CCC(C)(C#N)CC1 ZINC000355939184 370618372 /nfs/dbraw/zinc/61/83/72/370618372.db2.gz JQLYGUZMVSLMPP-UHFFFAOYSA-N 0 3 280.416 2.054 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@@H](N)CCCC ZINC000236819453 370634798 /nfs/dbraw/zinc/63/47/98/370634798.db2.gz MFROZXAIWVCQCR-AWEZNQCLSA-N 0 3 276.380 2.385 20 30 CEEDHN C=CCCCC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000246747469 371004336 /nfs/dbraw/zinc/00/43/36/371004336.db2.gz PLZRCQAXIWZWDJ-KBPBESRZSA-N 0 3 250.386 2.285 20 30 CEEDHN C[C@H]1CCN(CC(=O)N(CCC#N)CCC#N)C[C@@H](C)C1 ZINC000246919294 371029742 /nfs/dbraw/zinc/02/97/42/371029742.db2.gz YKDBUFNXZZDPPT-GJZGRUSLSA-N 0 3 290.411 2.010 20 30 CEEDHN CCC(C)(C)N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000358433673 371064551 /nfs/dbraw/zinc/06/45/51/371064551.db2.gz XCVPLFILEIKWGJ-UHFFFAOYSA-N 0 3 273.380 2.295 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000358816170 371233321 /nfs/dbraw/zinc/23/33/21/371233321.db2.gz RWSWKSCSYFYLIN-SJORKVTESA-N 0 3 299.418 2.492 20 30 CEEDHN C[C@H](O)CN1CCN([C@@H](C)c2cccc(C#N)c2)C[C@@H]1C ZINC000249288365 371311011 /nfs/dbraw/zinc/31/10/11/371311011.db2.gz QFAKLLNMJLTXKA-KKUMJFAQSA-N 0 3 287.407 2.006 20 30 CEEDHN C[C@@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccc(C#N)cc1 ZINC000359315505 371425211 /nfs/dbraw/zinc/42/52/11/371425211.db2.gz DRGBFIQPGONTOM-IUODEOHRSA-N 0 3 298.390 2.155 20 30 CEEDHN C[C@H](NC[C@H]1CN2CCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000252546737 371454271 /nfs/dbraw/zinc/45/42/71/371454271.db2.gz KUYLOCNOJVIVAB-JQFCIGGWSA-N 0 3 285.391 2.072 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCOc2c(F)ccc(F)c21 ZINC000361228480 371726890 /nfs/dbraw/zinc/72/68/90/371726890.db2.gz MNRYLSASLWLXMO-XCBNKYQSSA-N 0 3 266.247 2.064 20 30 CEEDHN C=CCCCCN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640044125 371766279 /nfs/dbraw/zinc/76/62/79/371766279.db2.gz NLUKCPRQRWFNEH-WDEREUQCSA-N 0 3 251.292 2.445 20 30 CEEDHN CCn1cc(CN(CCO)CCCCC(C)(C)C#N)cn1 ZINC000361358688 371803289 /nfs/dbraw/zinc/80/32/89/371803289.db2.gz ZDERVLRTRQITCV-UHFFFAOYSA-N 0 3 292.427 2.417 20 30 CEEDHN CNC(=O)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000361466274 371860596 /nfs/dbraw/zinc/86/05/96/371860596.db2.gz PBIZGDWHYJWGGW-UKRRQHHQSA-N 0 3 271.364 2.218 20 30 CEEDHN CCN(CC(=O)N(CC)C[C@H](C)C#N)CC1CCC1 ZINC000361482665 371869279 /nfs/dbraw/zinc/86/92/79/371869279.db2.gz YJQTVJYCGYRKGR-CYBMUJFWSA-N 0 3 265.401 2.117 20 30 CEEDHN CCOCCN(C)CCOCc1ccc(C#N)cc1 ZINC000344105981 217050875 /nfs/dbraw/zinc/05/08/75/217050875.db2.gz HVYWRPFOLNLMFM-UHFFFAOYSA-N 0 3 262.353 2.043 20 30 CEEDHN C=CCc1cc(CN[C@H]2CO[C@@H](C)C2)cc(OC)c1O ZINC000574398830 335016267 /nfs/dbraw/zinc/01/62/67/335016267.db2.gz ODSYKFZZFABLMG-SMDDNHRTSA-N 0 3 277.364 2.396 20 30 CEEDHN C=CCCC(=O)N1CCCN(c2ccncc2)CC1 ZINC000640449573 371984323 /nfs/dbraw/zinc/98/43/23/371984323.db2.gz HDUYOOQPERZSCY-UHFFFAOYSA-N 0 3 259.353 2.087 20 30 CEEDHN CC(=O)CCN1CCCN(c2ccc(C#N)cc2)CC1 ZINC000361686604 372023249 /nfs/dbraw/zinc/02/32/49/372023249.db2.gz SLUUPPPJMWXJED-UHFFFAOYSA-N 0 3 271.364 2.049 20 30 CEEDHN C=C1CCN(CCOCCN2CCC(=C)CC2)CC1 ZINC000267398051 372073041 /nfs/dbraw/zinc/07/30/41/372073041.db2.gz FHTVGDFNCKBMII-UHFFFAOYSA-N 0 3 264.413 2.307 20 30 CEEDHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)C(C)C#N ZINC000361853064 372099967 /nfs/dbraw/zinc/09/99/67/372099967.db2.gz BWRMJGLPLBEWHM-GRYCIOLGSA-N 0 3 252.358 2.198 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000362288074 372299045 /nfs/dbraw/zinc/29/90/45/372299045.db2.gz PWOPBGBPHUJBSS-ZBFHGGJFSA-N 0 3 283.375 2.033 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(C)c(C)c1 ZINC000268849204 372253955 /nfs/dbraw/zinc/25/39/55/372253955.db2.gz XRUSWTUGYGXPJL-CQSZACIVSA-N 0 3 258.365 2.094 20 30 CEEDHN CC[C@@]1(C)CCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000344283012 217132829 /nfs/dbraw/zinc/13/28/29/217132829.db2.gz WDOOTMBSVFNSNC-KRWDZBQOSA-N 0 3 285.391 2.296 20 30 CEEDHN C=C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000362370300 372334271 /nfs/dbraw/zinc/33/42/71/372334271.db2.gz KJUIXBIKFYPSOO-OCCSQVGLSA-N 0 3 261.369 2.163 20 30 CEEDHN C=CCOCCCC(=O)Nc1ccc2c(c1)CNCC2 ZINC000269191176 372371908 /nfs/dbraw/zinc/37/19/08/372371908.db2.gz HHVDMVBJCBABCO-UHFFFAOYSA-N 0 3 274.364 2.254 20 30 CEEDHN Cn1cc(CCCNCc2ccc(C#N)cc2F)cn1 ZINC000269412744 372443600 /nfs/dbraw/zinc/44/36/00/372443600.db2.gz JLYVURWWYUROGY-UHFFFAOYSA-N 0 3 272.327 2.153 20 30 CEEDHN C[C@H]1CCC[C@H](CO)N1CCOc1ccc(C#N)cc1 ZINC000269675887 372528882 /nfs/dbraw/zinc/52/88/82/372528882.db2.gz CFHYRZYRCDPODR-DZGCQCFKSA-N 0 3 274.364 2.172 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccccn3)C2)c(F)c1 ZINC000269889608 372590659 /nfs/dbraw/zinc/59/06/59/372590659.db2.gz VOZZNLRVLFWGGN-HNNXBMFYSA-N 0 3 296.349 2.461 20 30 CEEDHN C=C[C@H](CO)NCc1c[nH]nc1-c1ccc(C)cc1 ZINC000641774658 372717407 /nfs/dbraw/zinc/71/74/07/372717407.db2.gz OIBJYCWSSSRXAO-CQSZACIVSA-N 0 3 257.337 2.022 20 30 CEEDHN CC#CC[C@@H](CO)NCc1c[nH]nc1-c1ccccc1F ZINC000641767689 372707448 /nfs/dbraw/zinc/70/74/48/372707448.db2.gz OFINBRDZFXBEQC-ZDUSSCGKSA-N 0 3 287.338 2.080 20 30 CEEDHN CC#CC[C@H](CO)NCc1cn(-c2cccc(C)c2)nc1C ZINC000641768115 372707848 /nfs/dbraw/zinc/70/78/48/372707848.db2.gz WRGCXXDVDLIUAH-QGZVFWFLSA-N 0 3 297.402 2.353 20 30 CEEDHN C=CCN1CCC(Nc2cc(NCC3CC3)ncn2)CC1 ZINC000270226383 372709009 /nfs/dbraw/zinc/70/90/09/372709009.db2.gz DJUCXCICDZHCKZ-UHFFFAOYSA-N 0 3 287.411 2.361 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc(OC)c(OC(F)F)c1 ZINC000641769277 372709891 /nfs/dbraw/zinc/70/98/91/372709891.db2.gz RRMUMVWWLQGBGJ-GFCCVEGCSA-N 0 3 299.317 2.161 20 30 CEEDHN Cn1cc(C[C@@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)cn1 ZINC000365262351 372811960 /nfs/dbraw/zinc/81/19/60/372811960.db2.gz ACWCETBGDWWPFE-AWEZNQCLSA-N 0 3 298.365 2.495 20 30 CEEDHN CC[C@H](NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(C#N)cc1 ZINC000365494031 372874071 /nfs/dbraw/zinc/87/40/71/372874071.db2.gz PWLQYHOYKYRBDR-SQNIBIBYSA-N 0 3 299.418 2.462 20 30 CEEDHN CN(CCN1CCCC1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000353545870 220148453 /nfs/dbraw/zinc/14/84/53/220148453.db2.gz FGBOXMSYFSXDPF-UHFFFAOYSA-N 0 3 290.342 2.257 20 30 CEEDHN C#CCN(CC)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000271121923 373132631 /nfs/dbraw/zinc/13/26/31/373132631.db2.gz FNAJDMJOUIMHDW-CYBMUJFWSA-N 0 3 275.348 2.082 20 30 CEEDHN C#CCCN1CCN(c2ccnc3ccccc32)CC1 ZINC000271571030 373194805 /nfs/dbraw/zinc/19/48/05/373194805.db2.gz BSFBZLAAVORNKI-UHFFFAOYSA-N 0 3 265.360 2.380 20 30 CEEDHN Cc1ccccc1CN1CCCN([C@@H](C)C#N)CC1 ZINC000368183374 373225354 /nfs/dbraw/zinc/22/53/54/373225354.db2.gz WYAHWPPJDMPLEV-HNNXBMFYSA-N 0 3 257.381 2.415 20 30 CEEDHN COCCN1CC[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271976007 373243648 /nfs/dbraw/zinc/24/36/48/373243648.db2.gz VUGBJRHIPMBXBW-IUODEOHRSA-N 0 3 291.370 2.069 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000344982711 217377652 /nfs/dbraw/zinc/37/76/52/217377652.db2.gz RJPBDKXIBMZXPP-JSGCOSHPSA-N 0 3 286.379 2.471 20 30 CEEDHN CN(CCOc1ccccc1C#N)C[C@H]1CCCC[C@@H]1O ZINC000272466431 373499799 /nfs/dbraw/zinc/49/97/99/373499799.db2.gz FCGNKMZAVTTYRJ-CVEARBPZSA-N 0 3 288.391 2.420 20 30 CEEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@H]2OCC[C@H]21 ZINC000369868737 373526677 /nfs/dbraw/zinc/52/66/77/373526677.db2.gz UJOKVWMGUIRBLN-HZPDHXFCSA-N 0 3 299.374 2.140 20 30 CEEDHN C=CCc1cc(CN2CC[C@H]([C@@H](C)O)C2)cc(OC)c1O ZINC000272580543 373563000 /nfs/dbraw/zinc/56/30/00/373563000.db2.gz XZASKMJIOZWCDN-DOMZBBRYSA-N 0 3 291.391 2.332 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H]1CCCc2ccccc21 ZINC000272855050 373680599 /nfs/dbraw/zinc/68/05/99/373680599.db2.gz LVIKGSNCPMLSLA-OAHLLOKOSA-N 0 3 279.405 2.254 20 30 CEEDHN C[C@H]1CN(CCCCNc2cccnc2C#N)C[C@H](C)O1 ZINC000274159441 373828748 /nfs/dbraw/zinc/82/87/48/373828748.db2.gz ZDTYUQPJPBPMSI-KBPBESRZSA-N 0 3 288.395 2.255 20 30 CEEDHN C#CCN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000274062165 373799239 /nfs/dbraw/zinc/79/92/39/373799239.db2.gz DOMWERFPAVILQB-INIZCTEOSA-N 0 3 297.402 2.068 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)/C=C/c3cccc(C#N)c3)C[C@H]21 ZINC000371488886 373899857 /nfs/dbraw/zinc/89/98/57/373899857.db2.gz MENBREOGRUAMMQ-LZCSOBMZSA-N 0 3 295.386 2.124 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000274279445 373864931 /nfs/dbraw/zinc/86/49/31/373864931.db2.gz DIZSHCDUIHJQFU-STQMWFEESA-N 0 3 250.386 2.355 20 30 CEEDHN N#Cc1ccc(CNCCc2cn3c(n2)SCC3)s1 ZINC000274287000 373867474 /nfs/dbraw/zinc/86/74/74/373867474.db2.gz WYZZOCMDNGINRG-UHFFFAOYSA-N 0 3 290.417 2.254 20 30 CEEDHN CC(C)(C#N)CCCN1CCC[C@@H]1C(=O)NC1CC1 ZINC000371841659 373990274 /nfs/dbraw/zinc/99/02/74/373990274.db2.gz AVDGUDJJZUAEMP-CYBMUJFWSA-N 0 3 263.385 2.059 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H](CO)CC(F)F)CC2 ZINC000353677360 220249745 /nfs/dbraw/zinc/24/97/45/220249745.db2.gz ZAGKGMAOFZRADI-DGCLKSJQSA-N 0 3 266.291 2.151 20 30 CEEDHN C=C(C)CCNC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000645528278 374093746 /nfs/dbraw/zinc/09/37/46/374093746.db2.gz NRYNNKWQQYVLEO-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN CC(C)(C)N1CCCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000334176041 206144402 /nfs/dbraw/zinc/14/44/02/206144402.db2.gz CVCBQXDANVRVTC-UHFFFAOYSA-N 0 3 299.418 2.434 20 30 CEEDHN C[C@H](C#N)Oc1ccc(CN2CCCOCC2)cc1 ZINC000374325687 374542228 /nfs/dbraw/zinc/54/22/28/374542228.db2.gz QGUOKYBPYLDRLH-CYBMUJFWSA-N 0 3 260.337 2.200 20 30 CEEDHN C#CCOc1ccccc1CN[C@H]1CCc2c[nH]nc2C1 ZINC000374541011 374595761 /nfs/dbraw/zinc/59/57/61/374595761.db2.gz IVQLMIOPTZDHSF-HNNXBMFYSA-N 0 3 281.359 2.069 20 30 CEEDHN CC#CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000277629638 374585476 /nfs/dbraw/zinc/58/54/76/374585476.db2.gz JGHDWCNAZCQHQO-ZDUSSCGKSA-N 0 3 276.405 2.100 20 30 CEEDHN C[C@@H](C#N)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000374590115 374606590 /nfs/dbraw/zinc/60/65/90/374606590.db2.gz AWWXZYZKGHBVBM-CABCVRRESA-N 0 3 257.381 2.495 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC2(CCOCC2)[C@H]1C ZINC000375240366 374646235 /nfs/dbraw/zinc/64/62/35/374646235.db2.gz IHBMNKZGFNRRAJ-OAHLLOKOSA-N 0 3 292.423 2.078 20 30 CEEDHN N#Cc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000278101927 374724010 /nfs/dbraw/zinc/72/40/10/374724010.db2.gz ZLQCKIVAYXZBLR-INIZCTEOSA-N 0 3 283.375 2.305 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](CO)COC)cc1Cl ZINC000279670367 374949264 /nfs/dbraw/zinc/94/92/64/374949264.db2.gz HRFDWVRABNVONG-LBPRGKRZSA-N 0 3 285.771 2.002 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(COC)o1 ZINC000280764040 375314099 /nfs/dbraw/zinc/31/40/99/375314099.db2.gz ZAEPPKBYRXRQMZ-IUODEOHRSA-N 0 3 265.353 2.497 20 30 CEEDHN C[C@@H]1CN(CCOCCC#N)CCN1Cc1ccccc1 ZINC000396389323 375335556 /nfs/dbraw/zinc/33/55/56/375335556.db2.gz QHDUHFGUHLLQTG-MRXNPFEDSA-N 0 3 287.407 2.123 20 30 CEEDHN CCC(CC)(CCO)NCC(=O)Nc1cccc(C#N)c1 ZINC000282351429 375464230 /nfs/dbraw/zinc/46/42/30/375464230.db2.gz CMYSXEMKYATROS-UHFFFAOYSA-N 0 3 289.379 2.028 20 30 CEEDHN C[C@@H]1CCC[C@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000282122156 375407902 /nfs/dbraw/zinc/40/79/02/375407902.db2.gz QTIABRDNGSVOFG-BXUZGUMPSA-N 0 3 257.337 2.275 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CCC(F)F)CC1 ZINC000684435067 542004699 /nfs/dbraw/zinc/00/46/99/542004699.db2.gz ODNSTCNFMSVENI-UHFFFAOYSA-N 0 3 260.328 2.188 20 30 CEEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000277960094 193805204 /nfs/dbraw/zinc/80/52/04/193805204.db2.gz WUFREBGALLLOMN-INIZCTEOSA-N 0 3 270.376 2.181 20 30 CEEDHN CC(C)[C@H](O)CN1CCCN(c2ccccc2C#N)CC1 ZINC000283633416 375735875 /nfs/dbraw/zinc/73/58/75/375735875.db2.gz AFWCXKAUZVQOFQ-QGZVFWFLSA-N 0 3 287.407 2.087 20 30 CEEDHN C=CCc1cc(CNc2nccn2C)cc(OC)c1O ZINC000414304321 375829500 /nfs/dbraw/zinc/82/95/00/375829500.db2.gz OOSQGIXDMFNHDF-UHFFFAOYSA-N 0 3 273.336 2.475 20 30 CEEDHN COc1cc(CN2CCC[C@@H](CO)[C@@H]2C)ccc1C#N ZINC000414587491 375871220 /nfs/dbraw/zinc/87/12/20/375871220.db2.gz VFIHEZXXYJUHQT-WFASDCNBSA-N 0 3 274.364 2.160 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000289788336 376501111 /nfs/dbraw/zinc/50/11/11/376501111.db2.gz MDKDNSVQYBFFON-HDMKZQKVSA-N 0 3 299.418 2.414 20 30 CEEDHN CCN1CCN(C[C@@H](C)CNc2ccc(C#N)cc2)CC1 ZINC000264013215 190088766 /nfs/dbraw/zinc/08/87/66/190088766.db2.gz LWKDUUZFMNFWBP-HNNXBMFYSA-N 0 3 286.423 2.244 20 30 CEEDHN Cc1nc2n(n1)C[C@@H](N[C@H]1CCc3ccc(C#N)cc31)CC2 ZINC000557535282 376564318 /nfs/dbraw/zinc/56/43/18/376564318.db2.gz AUZCCNLAFKDOGT-HOCLYGCPSA-N 0 3 293.374 2.050 20 30 CEEDHN CN1CCC[C@]2(CCN(C(=O)c3ccc(C#N)s3)C2)C1 ZINC000334338695 206392603 /nfs/dbraw/zinc/39/26/03/206392603.db2.gz ZBXQWRNBICHNKU-HNNXBMFYSA-N 0 3 289.404 2.178 20 30 CEEDHN C=C1CCN(C[C@H](O)COCc2cccs2)CC1 ZINC000264542827 190117419 /nfs/dbraw/zinc/11/74/19/190117419.db2.gz NCSPGOJDAROYOO-ZDUSSCGKSA-N 0 3 267.394 2.278 20 30 CEEDHN COc1cc(CN2CCC[C@@]23CCOC3)ccc1C#N ZINC000313054388 376737985 /nfs/dbraw/zinc/73/79/85/376737985.db2.gz STFZJMGBZANPID-INIZCTEOSA-N 0 3 272.348 2.322 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](C2CCCC2)C1 ZINC000420963550 376749236 /nfs/dbraw/zinc/74/92/36/376749236.db2.gz NQZJQFPMOKYOHG-UKRRQHHQSA-N 0 3 277.412 2.259 20 30 CEEDHN C=CCOCCN[C@@H](c1cncc(F)c1)C1CC1 ZINC000684962115 542099040 /nfs/dbraw/zinc/09/90/40/542099040.db2.gz RQHYLXUYKVGYTQ-CQSZACIVSA-N 0 3 250.317 2.464 20 30 CEEDHN C=CCOc1ccc(CN(C)C[C@@H](O)C2CC2)cc1 ZINC000685461897 542143670 /nfs/dbraw/zinc/14/36/70/542143670.db2.gz XSZKIVUQQZEHOV-MRXNPFEDSA-N 0 3 261.365 2.454 20 30 CEEDHN CC(C)C[C@H](CO)N(C)Cc1ccc(C#N)s1 ZINC000290566902 376835998 /nfs/dbraw/zinc/83/59/98/376835998.db2.gz SRZUWDNTNLQIQC-LLVKDONJSA-N 0 3 252.383 2.459 20 30 CEEDHN CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CC[C@@H](C#N)C1 ZINC000328612140 376860617 /nfs/dbraw/zinc/86/06/17/376860617.db2.gz PASJUZMXDGOORD-QPSCCSFWSA-N 0 3 288.395 2.405 20 30 CEEDHN Cc1ccc(N(C)C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)nn1 ZINC000328718350 376884345 /nfs/dbraw/zinc/88/43/45/376884345.db2.gz FTZFMAYXYKEYDC-ZBFHGGJFSA-N 0 3 299.422 2.378 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)C[C@](C)(O)C2CC2)CN1C1CC1 ZINC000328876067 376913990 /nfs/dbraw/zinc/91/39/90/376913990.db2.gz SJHDYTICGVUMEC-GMXABZIVSA-N 0 3 266.385 2.119 20 30 CEEDHN C[C@H](NC(=O)[C@H]1CCn2cncc2C1)C1=CCN(C)CC1 ZINC000329301282 376940661 /nfs/dbraw/zinc/94/06/61/376940661.db2.gz MWCVZUUNMMUPQN-JSGCOSHPSA-N 0 3 288.395 2.052 20 30 CEEDHN N#CCCC1CCN(CCOC[C@H]2CCCO2)CC1 ZINC000563067169 377084429 /nfs/dbraw/zinc/08/44/29/377084429.db2.gz DQJZHMCBRISMEB-OAHLLOKOSA-N 0 3 266.385 2.198 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000291155674 377094580 /nfs/dbraw/zinc/09/45/80/377094580.db2.gz ZIDFFHUBDXDTTM-LBPRGKRZSA-N 0 3 290.363 2.088 20 30 CEEDHN COCCN1CCC[C@@H]1CNC(=O)c1c(C)coc1C ZINC000330469289 377148956 /nfs/dbraw/zinc/14/89/56/377148956.db2.gz LEGGAWZCOMRVJI-CYBMUJFWSA-N 0 3 280.368 2.312 20 30 CEEDHN C=C[C@@H](CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000291476195 377196531 /nfs/dbraw/zinc/19/65/31/377196531.db2.gz FHPCIWKVBBBYTO-NSHDSACASA-N 0 3 286.169 2.100 20 30 CEEDHN C[C@@H](NC(=O)NCCN(C)C1CC1)c1ccc(C#N)cc1 ZINC000264853976 190139633 /nfs/dbraw/zinc/13/96/33/190139633.db2.gz MDISSAHQXGJOBD-GFCCVEGCSA-N 0 3 286.379 2.013 20 30 CEEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000331069838 377268826 /nfs/dbraw/zinc/26/88/26/377268826.db2.gz CCGBAICFLVLLNZ-CQSZACIVSA-N 0 3 288.395 2.271 20 30 CEEDHN C=CCOCCN[C@H](CN1CCCC1=O)c1ccccc1 ZINC000292714274 377265350 /nfs/dbraw/zinc/26/53/50/377265350.db2.gz ADWMSOLALKDZEY-MRXNPFEDSA-N 0 3 288.391 2.142 20 30 CEEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)CCOCC1 ZINC000424666995 377282176 /nfs/dbraw/zinc/28/21/76/377282176.db2.gz QECLLOKROFPQTK-OAHLLOKOSA-N 0 3 292.423 2.054 20 30 CEEDHN C#CCN(C)CCCNc1nc(CC(C)C)ns1 ZINC000292803128 377290823 /nfs/dbraw/zinc/29/08/23/377290823.db2.gz NMVVSNQBLCMLPT-UHFFFAOYSA-N 0 3 266.414 2.104 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H]1CCC[C@@]1(C)CO ZINC000331163598 377309164 /nfs/dbraw/zinc/30/91/64/377309164.db2.gz LVJOKINRNSEMOS-CVEARBPZSA-N 0 3 274.364 2.208 20 30 CEEDHN COCCN(CCOCCC#N)Cc1ccccc1 ZINC000292950016 377365881 /nfs/dbraw/zinc/36/58/81/377365881.db2.gz BMSRCJKETBXOJL-UHFFFAOYSA-N 0 3 262.353 2.065 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000425533818 377367245 /nfs/dbraw/zinc/36/72/45/377367245.db2.gz LHBPURTZIBUUNV-GFCCVEGCSA-N 0 3 299.334 2.356 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)CCN1CCCOCC1 ZINC000425534377 377367620 /nfs/dbraw/zinc/36/76/20/377367620.db2.gz LXTUAUZTBACELU-OAHLLOKOSA-N 0 3 287.407 2.273 20 30 CEEDHN C=CCc1ccccc1OC[C@@H](O)CNCCCC#N ZINC000564076104 377342587 /nfs/dbraw/zinc/34/25/87/377342587.db2.gz HFPMQCZKVTUMQX-HNNXBMFYSA-N 0 3 274.364 2.048 20 30 CEEDHN C=CCN(C)CCN(CC)CC(=O)NCC1CCCCC1 ZINC000429704576 377520189 /nfs/dbraw/zinc/52/01/89/377520189.db2.gz AIYXDEYYZQTVDP-UHFFFAOYSA-N 0 3 295.471 2.123 20 30 CEEDHN Cc1cc(CNCC2(CC#N)CC2)ccc1-n1cncn1 ZINC000430023887 377523646 /nfs/dbraw/zinc/52/36/46/377523646.db2.gz PLIKSVGOWAGQPV-UHFFFAOYSA-N 0 3 281.363 2.359 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)NCc1ccc(CC#N)cc1 ZINC000565024868 377534689 /nfs/dbraw/zinc/53/46/89/377534689.db2.gz VBYCQOHABCGTIP-INIZCTEOSA-N 0 3 285.391 2.243 20 30 CEEDHN CCn1cc([C@H](C)NC[C@@H](O)c2ccc(C#N)cc2)cn1 ZINC000295927470 249368931 /nfs/dbraw/zinc/36/89/31/249368931.db2.gz FTLVRRPBFPOCOT-BLLLJJGKSA-N 0 3 284.363 2.159 20 30 CEEDHN C[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccccc1Cl ZINC000566123398 377730091 /nfs/dbraw/zinc/73/00/91/377730091.db2.gz JHQJSULJYQGJHK-OLZOCXBDSA-N 0 3 295.814 2.197 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)c1cscc1C#N ZINC000432705143 377776219 /nfs/dbraw/zinc/77/62/19/377776219.db2.gz IDKVECGFUHFQKV-NSHDSACASA-N 0 3 277.393 2.224 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)CCN1C ZINC000333536204 377776929 /nfs/dbraw/zinc/77/69/29/377776929.db2.gz KCGLCXZLGCPQBH-XJKCOSOUSA-N 0 3 275.396 2.059 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC(=O)N3CCCC[C@@H]13)CC2 ZINC000566885572 377778263 /nfs/dbraw/zinc/77/82/63/377778263.db2.gz XJHWHWKLHSXDOW-ZACQAIPSSA-N 0 3 295.386 2.289 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CCSCC1 ZINC000433300732 377783644 /nfs/dbraw/zinc/78/36/44/377783644.db2.gz UIABKBSHVHRUSD-AWEZNQCLSA-N 0 3 274.389 2.334 20 30 CEEDHN Cc1cc(CN2CC[C@@H](Nc3ncccn3)C2)ccc1C#N ZINC000566241939 377748389 /nfs/dbraw/zinc/74/83/89/377748389.db2.gz LCGPZEHGDWYMEG-MRXNPFEDSA-N 0 3 293.374 2.343 20 30 CEEDHN C=C(C)COCCN[C@H](C)c1ccnc(OC)c1 ZINC000566473325 377761838 /nfs/dbraw/zinc/76/18/38/377761838.db2.gz AKDULGQHPGUCTA-GFCCVEGCSA-N 0 3 250.342 2.334 20 30 CEEDHN CC(F)(F)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000567190798 377814542 /nfs/dbraw/zinc/81/45/42/377814542.db2.gz AXLDSJGLBJUXLS-GFCCVEGCSA-N 0 3 277.274 2.012 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1csc(Cl)c1 ZINC000293910458 377821587 /nfs/dbraw/zinc/82/15/87/377821587.db2.gz FYWNYBSMTGOTDA-UHFFFAOYSA-N 0 3 270.785 2.086 20 30 CEEDHN CC[C@H](COC)NC(=O)C(C#N)CCc1ccccc1 ZINC000433345049 377789961 /nfs/dbraw/zinc/78/99/61/377789961.db2.gz VFCMLJHPMMBYFE-LSDHHAIUSA-N 0 3 274.364 2.300 20 30 CEEDHN CC[C@H](C)[C@@H](O)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433380833 377791503 /nfs/dbraw/zinc/79/15/03/377791503.db2.gz FTVCSXWAIDZZRR-IMJJTQAJSA-N 0 3 288.391 2.282 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433941967 377793251 /nfs/dbraw/zinc/79/32/51/377793251.db2.gz OSZGUOHUZPXIFW-CQSZACIVSA-N 0 3 265.401 2.221 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cccc(F)c1Cl ZINC000294073282 377894419 /nfs/dbraw/zinc/89/44/19/377894419.db2.gz WBBMTEWTJULFQT-UHFFFAOYSA-N 0 3 282.746 2.164 20 30 CEEDHN CSCCCN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000439470471 377927101 /nfs/dbraw/zinc/92/71/01/377927101.db2.gz OUMUUPNWSRITOO-CYBMUJFWSA-N 0 3 297.468 2.402 20 30 CEEDHN CN1CCC[C@@]2(CCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 ZINC000294177693 377928588 /nfs/dbraw/zinc/92/85/88/377928588.db2.gz OVBSMQFMCMMXRN-GOSISDBHSA-N 0 3 297.402 2.045 20 30 CEEDHN C[C@@H](C#N)CN(C)C(=O)[C@H]1CCCN1C1CCCC1 ZINC000440125393 377928551 /nfs/dbraw/zinc/92/85/51/377928551.db2.gz ZEOPUMQPVWMKMZ-GXTWGEPZSA-N 0 3 263.385 2.011 20 30 CEEDHN CS[C@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000294180384 377930467 /nfs/dbraw/zinc/93/04/67/377930467.db2.gz DQUUXZFOBLYKIS-ZDUSSCGKSA-N 0 3 262.378 2.374 20 30 CEEDHN CN1CCC[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 ZINC000294090620 377901204 /nfs/dbraw/zinc/90/12/04/377901204.db2.gz KFBLWNLCNYNYBN-KRWDZBQOSA-N 0 3 283.375 2.116 20 30 CEEDHN CCOC(=O)c1csc(CCN[C@H]2CC[C@H](C#N)C2)n1 ZINC000442862040 378010029 /nfs/dbraw/zinc/01/00/29/378010029.db2.gz VDQXIQLTHATIRB-QWRGUYRKSA-N 0 3 293.392 2.144 20 30 CEEDHN COc1ccc(OCCN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442634677 377972691 /nfs/dbraw/zinc/97/26/91/377972691.db2.gz HIIDFNBKIYNXFV-OLZOCXBDSA-N 0 3 260.337 2.356 20 30 CEEDHN CN(C)C(=O)C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442799249 377997069 /nfs/dbraw/zinc/99/70/69/377997069.db2.gz ZSLRSLSGQKZIDP-KBMXLJTQSA-N 0 3 285.391 2.488 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2cccc(-n3cncn3)c2)C1 ZINC000442800164 377999318 /nfs/dbraw/zinc/99/93/18/377999318.db2.gz YZSOYJLHEBUZJN-GXTWGEPZSA-N 0 3 267.336 2.049 20 30 CEEDHN N#C[C@H]1CC[C@H](NCCOc2ncccc2Cl)C1 ZINC000442826660 378005339 /nfs/dbraw/zinc/00/53/39/378005339.db2.gz KCGDFZHSRJGPNO-QWRGUYRKSA-N 0 3 265.744 2.396 20 30 CEEDHN C#CCN(C)CCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000294947980 378031327 /nfs/dbraw/zinc/03/13/27/378031327.db2.gz IKCLFTBKABMCFU-LBPRGKRZSA-N 0 3 264.344 2.137 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCCC2(CCCC2)C1 ZINC000445851577 378082912 /nfs/dbraw/zinc/08/29/12/378082912.db2.gz HCEABMVAHMJDGV-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NC[C@H]2COc3ccccc3O2)C1 ZINC000447508663 378111352 /nfs/dbraw/zinc/11/13/52/378111352.db2.gz CMXHJERPWCBILJ-MCIONIFRSA-N 0 3 272.348 2.498 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(OCCOC)c1 ZINC000449520249 378215576 /nfs/dbraw/zinc/21/55/76/378215576.db2.gz OYTOAJUSNNKJBH-CVEARBPZSA-N 0 3 277.364 2.145 20 30 CEEDHN C=CCOc1ccc(CN(CCO)[C@@H]2CCO[C@@H]2C)cc1 ZINC000449680666 378220010 /nfs/dbraw/zinc/22/00/10/378220010.db2.gz UUDMFMSMUAFBMK-RHSMWYFYSA-N 0 3 291.391 2.223 20 30 CEEDHN CC[C@@H](CO)N(C)CC#Cc1ccc(Cl)cc1 ZINC000295621337 378240803 /nfs/dbraw/zinc/24/08/03/378240803.db2.gz FDNKGMAIGCPPMO-AWEZNQCLSA-N 0 3 251.757 2.394 20 30 CEEDHN CCC[C@H](O)CNC(=O)C(C#N)CCc1ccccc1 ZINC000450175308 378317190 /nfs/dbraw/zinc/31/71/90/378317190.db2.gz FTZNHKROSUQTGZ-CABCVRRESA-N 0 3 274.364 2.036 20 30 CEEDHN C=CCCOCCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000450250007 378327426 /nfs/dbraw/zinc/32/74/26/378327426.db2.gz FTUGSYWFMYELRU-MRXNPFEDSA-N 0 3 294.439 2.492 20 30 CEEDHN C#CCOc1ccc(CNC[C@@H](O)c2ccc(C)o2)cc1 ZINC000266084970 190229198 /nfs/dbraw/zinc/22/91/98/190229198.db2.gz YPOFVNLAULPYLK-MRXNPFEDSA-N 0 3 285.343 2.423 20 30 CEEDHN C[C@@H](NCc1ccc(C#N)cc1OC(F)F)[C@H](C)CO ZINC000450732023 378551601 /nfs/dbraw/zinc/55/16/01/378551601.db2.gz CPVNKYUNKHZQMV-NXEZZACHSA-N 0 3 284.306 2.266 20 30 CEEDHN C=CCNC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000515171182 379189311 /nfs/dbraw/zinc/18/93/11/379189311.db2.gz JRMXUOHWFJZOEV-MRXNPFEDSA-N 0 3 287.407 2.131 20 30 CEEDHN CN1CCCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000301351329 379262897 /nfs/dbraw/zinc/26/28/97/379262897.db2.gz MUHLUHMWUBHFCK-UHFFFAOYSA-N 0 3 266.348 2.248 20 30 CEEDHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)N(C)C1CC1 ZINC000517527807 379365926 /nfs/dbraw/zinc/36/59/26/379365926.db2.gz DLBKPEULZZGMIB-OAUYIBNBSA-N 0 3 297.402 2.261 20 30 CEEDHN C[C@@H]1CCCN(CCOc2ccccc2C#N)[C@H]1CO ZINC000305202746 379683415 /nfs/dbraw/zinc/68/34/15/379683415.db2.gz WQQLAADNMIAYOF-HIFRSBDPSA-N 0 3 274.364 2.030 20 30 CEEDHN C#CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000267339301 190322224 /nfs/dbraw/zinc/32/22/24/190322224.db2.gz GMYSHTWILHMOTR-RDJZCZTQSA-N 0 3 299.418 2.220 20 30 CEEDHN N#Cc1csc(CNCCNc2ccccn2)c1 ZINC000347835705 218372856 /nfs/dbraw/zinc/37/28/56/218372856.db2.gz SXTXHRIPVQXGSC-UHFFFAOYSA-N 0 3 258.350 2.216 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cnn(C2CC2)c1 ZINC000528920705 380135632 /nfs/dbraw/zinc/13/56/32/380135632.db2.gz QUTGNERQNLDECB-CQSZACIVSA-N 0 3 294.314 2.179 20 30 CEEDHN N#CC1(c2ccc(C(=O)N[C@H]3CCN(C4CC4)C3)cc2)CC1 ZINC000539684484 380249250 /nfs/dbraw/zinc/24/92/50/380249250.db2.gz MDPOHHCVTNFHGQ-HNNXBMFYSA-N 0 3 295.386 2.208 20 30 CEEDHN C[C@H]1C[C@@H](Nc2ccc3cc(C#N)ccc3n2)CCN1C ZINC000536767752 380234376 /nfs/dbraw/zinc/23/43/76/380234376.db2.gz VQPNIQHODXQUFG-WFASDCNBSA-N 0 3 280.375 2.423 20 30 CEEDHN CC[C@@H](C(=O)N1CCC(CC#N)CC1)N(CC)CC ZINC000542913619 380322323 /nfs/dbraw/zinc/32/23/23/380322323.db2.gz OSZUXDVNPVHKRC-AWEZNQCLSA-N 0 3 265.401 2.259 20 30 CEEDHN C#C[C@H](NC(=O)/C=C/CN(C)C)c1ccc(Cl)cc1 ZINC000491474177 380323867 /nfs/dbraw/zinc/32/38/67/380323867.db2.gz KPPVLFRHKLTQHP-GJBLVYBDSA-N 0 3 276.767 2.248 20 30 CEEDHN N#Cc1cscc1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000550380203 380623971 /nfs/dbraw/zinc/62/39/71/380623971.db2.gz DCZJIXGAFBTXJK-GFCCVEGCSA-N 0 3 289.404 2.366 20 30 CEEDHN N#Cc1cccc(C2(NCCOC[C@@H]3CCCO3)CC2)c1 ZINC000551713967 380650662 /nfs/dbraw/zinc/65/06/62/380650662.db2.gz OZCWOYJCWAJIBS-INIZCTEOSA-N 0 3 286.375 2.333 20 30 CEEDHN CC1(C)CC[C@H]1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000554404919 380767604 /nfs/dbraw/zinc/76/76/04/380767604.db2.gz KREXNFGDBRJTAF-LSDHHAIUSA-N 0 3 283.375 2.442 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000493140575 380816186 /nfs/dbraw/zinc/81/61/86/380816186.db2.gz YUEVVELCQJORNR-RYUDHWBXSA-N 0 3 295.383 2.004 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)c2cscc2C#N)C1 ZINC000334774580 207054577 /nfs/dbraw/zinc/05/45/77/207054577.db2.gz VZKZTYQECGKQQX-LBPRGKRZSA-N 0 3 277.393 2.174 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000493981399 381150813 /nfs/dbraw/zinc/15/08/13/381150813.db2.gz KVGRRLMCKORVJC-STQMWFEESA-N 0 3 266.385 2.245 20 30 CEEDHN C=CCN(C)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000494685172 381162226 /nfs/dbraw/zinc/16/22/26/381162226.db2.gz IQZOHSHUPPQXPB-UHFFFAOYSA-N 0 3 254.280 2.411 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000494879955 381164664 /nfs/dbraw/zinc/16/46/64/381164664.db2.gz RFNUMSCYJWOZAG-OLZOCXBDSA-N 0 3 265.401 2.219 20 30 CEEDHN CN1C[C@@H](CN[C@H](CCCC#N)c2ccccc2)OC1=O ZINC000496554009 381217477 /nfs/dbraw/zinc/21/74/77/381217477.db2.gz UJJZLPAEGIOFGI-HUUCEWRRSA-N 0 3 287.363 2.462 20 30 CEEDHN C=CCC[C@@H](O)CN1CCCC[C@@H]1COC(=O)NC(C)C ZINC000495687798 381182022 /nfs/dbraw/zinc/18/20/22/381182022.db2.gz LWJXOCBYGCLYMP-HUUCEWRRSA-N 0 3 298.427 2.303 20 30 CEEDHN C=CCC[C@H](O)CN1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000495859859 381187711 /nfs/dbraw/zinc/18/77/11/381187711.db2.gz UBDBHMLDVWMGCG-RDBSUJKOSA-N 0 3 298.427 2.159 20 30 CEEDHN C[C@@H](CNC[C@H](C#N)CCC#N)CNC(=O)OC(C)(C)C ZINC000496851432 381230928 /nfs/dbraw/zinc/23/09/28/381230928.db2.gz XZDTURBIHGTATF-STQMWFEESA-N 0 3 294.399 2.180 20 30 CEEDHN N#Cc1ccc(NC(=O)N2CCCNCC2)c(Cl)c1 ZINC000334837059 207162101 /nfs/dbraw/zinc/16/21/01/207162101.db2.gz WRZDGCRTQGBCFE-UHFFFAOYSA-N 0 3 278.743 2.039 20 30 CEEDHN C#CCOc1ccccc1CN[C@H]1CC[C@H](O)CC1 ZINC000252707981 533196396 /nfs/dbraw/zinc/19/63/96/533196396.db2.gz YTUMHXJFKCGYFE-SHTZXODSSA-N 0 3 259.349 2.092 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H](CCO)C(C)(C)C ZINC000183655596 533270071 /nfs/dbraw/zinc/27/00/71/533270071.db2.gz GJILXIXXDQJMKU-HNNXBMFYSA-N 0 3 276.380 2.454 20 30 CEEDHN Cc1cccc([C@H](O)CNCc2cc(C#N)n(C)c2)c1 ZINC000191356428 130225094 /nfs/dbraw/zinc/22/50/94/130225094.db2.gz GUESVWXXVSQABX-MRXNPFEDSA-N 0 3 269.348 2.028 20 30 CEEDHN Cc1noc(C)c1[C@H](C)CNCc1cc(C#N)n(C)c1 ZINC000191467404 130240550 /nfs/dbraw/zinc/24/05/50/130240550.db2.gz IQJUBZWFZFLDCY-SNVBAGLBSA-N 0 3 272.352 2.395 20 30 CEEDHN C[C@H]1C[C@@H](Nc2ccc(C#N)nn2)CN1Cc1ccccc1 ZINC000301951529 394468848 /nfs/dbraw/zinc/46/88/48/394468848.db2.gz JBUYRMYNYZVKHJ-XJKSGUPXSA-N 0 3 293.374 2.423 20 30 CEEDHN C=CCSCCNCc1cc(OC)cc(C)n1 ZINC000225909423 394470600 /nfs/dbraw/zinc/47/06/00/394470600.db2.gz DOHIHCDKWXAWJX-UHFFFAOYSA-N 0 3 252.383 2.407 20 30 CEEDHN CN(CCNCc1ccc(C#N)c(F)c1)CC(F)(F)F ZINC000421337960 394502494 /nfs/dbraw/zinc/50/24/94/394502494.db2.gz BLHKVUPQGAIOEQ-UHFFFAOYSA-N 0 3 289.276 2.281 20 30 CEEDHN Cc1cc(CNCc2cc(C#N)n(C)c2)cc(C)n1 ZINC000421372962 394516077 /nfs/dbraw/zinc/51/60/77/394516077.db2.gz GIGJXEIWCIPKGZ-UHFFFAOYSA-N 0 3 254.337 2.198 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CS[C@H](C)C2)CC1 ZINC000413237618 394509948 /nfs/dbraw/zinc/50/99/48/394509948.db2.gz LFLHNDDTKQNELG-TZMCWYRMSA-N 0 3 297.468 2.220 20 30 CEEDHN CCn1ccnc1[C@H]1OCC[C@@H]1N[C@@H]1CC[C@@H](C#N)C1 ZINC000328929681 394557336 /nfs/dbraw/zinc/55/73/36/394557336.db2.gz HEPUYSOSDCPTIO-MQYQWHSLSA-N 0 3 274.368 2.015 20 30 CEEDHN CC(=O)N1CCC(NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000329532990 394570856 /nfs/dbraw/zinc/57/08/56/394570856.db2.gz XPWCFJWHWYTEFB-ZDUSSCGKSA-N 0 3 295.427 2.218 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2ccccc2-n2ccnn2)CCN1C ZINC000329590886 394575716 /nfs/dbraw/zinc/57/57/16/394575716.db2.gz YRCFFXSKXKLULM-OLZOCXBDSA-N 0 3 299.378 2.055 20 30 CEEDHN CC1(C)CCC[C@@H]1NC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000329631841 394578674 /nfs/dbraw/zinc/57/86/74/394578674.db2.gz WCSIWUAGSMLBGY-GWCFXTLKSA-N 0 3 276.384 2.349 20 30 CEEDHN CC1(C)CCC[C@@H]1NC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329631841 394578686 /nfs/dbraw/zinc/57/86/86/394578686.db2.gz WCSIWUAGSMLBGY-GWCFXTLKSA-N 0 3 276.384 2.349 20 30 CEEDHN CN(C)C1(CNC(=O)C[C@@H]2CCCC(=O)N2)CCC1 ZINC000329755026 394582641 /nfs/dbraw/zinc/58/26/41/394582641.db2.gz LFSBKISNCUELRP-NSHDSACASA-N 0 3 267.373 2.326 20 30 CEEDHN CN(C)CC1(NC(=O)c2cc(=O)[nH]c(C3CC3)c2)CCC1 ZINC000329819765 394588241 /nfs/dbraw/zinc/58/82/41/394588241.db2.gz XWQZTMSQNLJTRP-UHFFFAOYSA-N 0 3 289.379 2.454 20 30 CEEDHN CN(CCC(=O)N(C)CCC#N)Cc1ccc(F)cc1 ZINC000048875360 394534977 /nfs/dbraw/zinc/53/49/77/394534977.db2.gz SDMKSVBJEWPAND-UHFFFAOYSA-N 0 3 277.343 2.020 20 30 CEEDHN CC[C@H](C(=O)N(CCC#N)CCC(C)C)N(C)C ZINC000413362965 394535517 /nfs/dbraw/zinc/53/55/17/394535517.db2.gz QPGVVFACUUBYSO-CYBMUJFWSA-N 0 3 253.390 2.115 20 30 CEEDHN CCN1CCC(NC(=O)[C@H]2CCC(=O)c3cccn32)CC1 ZINC000329877695 394590937 /nfs/dbraw/zinc/59/09/37/394590937.db2.gz JQOKHRODDNNOIL-CQSZACIVSA-N 0 3 289.379 2.447 20 30 CEEDHN CCC[NH+]1CCC(CNC(=O)c2csc(=O)[n-]2)CC1 ZINC000329922827 394595002 /nfs/dbraw/zinc/59/50/02/394595002.db2.gz GQAANCKSUHKFFW-UHFFFAOYSA-N 0 3 283.397 2.275 20 30 CEEDHN CCn1ccnc1[C@H]1OCC[C@@H]1N[C@@H]1CC[C@H](C#N)C1 ZINC000328929680 394556851 /nfs/dbraw/zinc/55/68/51/394556851.db2.gz HEPUYSOSDCPTIO-CRWXNKLISA-N 0 3 274.368 2.015 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)NCC1CCC(C#N)CC1 ZINC000330407130 394605130 /nfs/dbraw/zinc/60/51/30/394605130.db2.gz ITZSNCSMJGHJCF-YMAMQOFZSA-N 0 3 277.412 2.307 20 30 CEEDHN C#C[C@@H](NC(=N)Nc1cc(F)ccc1F)C(C)C ZINC000262327482 394616181 /nfs/dbraw/zinc/61/61/81/394616181.db2.gz XHXGPACEKGLOAS-LLVKDONJSA-N 0 3 251.280 2.349 20 30 CEEDHN CN(C)CCN(C(=O)CCc1ccc(C#N)cc1)C1CC1 ZINC000356871232 394637629 /nfs/dbraw/zinc/63/76/29/394637629.db2.gz HWBNGWIIGVKJRX-UHFFFAOYSA-N 0 3 285.391 2.043 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)[C@]2(C#N)CC23CCCC3)CN1C1CC1 ZINC000333606603 394649051 /nfs/dbraw/zinc/64/90/51/394649051.db2.gz VZSUTDSHYMUUCN-PBFPGSCMSA-N 0 3 287.407 2.202 20 30 CEEDHN C=CCCCCCN(C)CC(=O)N(CCC#N)CCC#N ZINC000265739415 394652564 /nfs/dbraw/zinc/65/25/64/394652564.db2.gz BUMJEIKMUSRGJJ-UHFFFAOYSA-N 0 3 290.411 2.321 20 30 CEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(CC#N)cc1 ZINC000270337195 394731030 /nfs/dbraw/zinc/73/10/30/394731030.db2.gz PDGIIRHAGZONDW-XJKSGUPXSA-N 0 3 285.391 2.165 20 30 CEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(CC#N)cc2)C1 ZINC000270540550 394736026 /nfs/dbraw/zinc/73/60/26/394736026.db2.gz PTIZPIWNLHXVTI-SJORKVTESA-N 0 3 297.402 2.309 20 30 CEEDHN COc1ccc(CN(CCO)CCCCC#N)c(OC)c1 ZINC000111322676 394739452 /nfs/dbraw/zinc/73/94/52/394739452.db2.gz BMYWXMZTEZOZRP-UHFFFAOYSA-N 0 3 292.379 2.192 20 30 CEEDHN CC#CCNC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000359339505 394748154 /nfs/dbraw/zinc/74/81/54/394748154.db2.gz YRQXBKMZYBURAA-CHWSQXEVSA-N 0 3 277.368 2.031 20 30 CEEDHN CN(C)C[C@@H]1CCCN1c1snc(Cl)c1C#N ZINC000271303549 394754655 /nfs/dbraw/zinc/75/46/55/394754655.db2.gz HCXAZQCNJQZQKR-QMMMGPOBSA-N 0 3 270.789 2.199 20 30 CEEDHN CN(C)Cc1cccc(C(=O)NCC(C)(C)C#N)c1 ZINC000359631612 394767344 /nfs/dbraw/zinc/76/73/44/394767344.db2.gz CWWDYNMEYBJCAW-UHFFFAOYSA-N 0 3 259.353 2.028 20 30 CEEDHN CN1CC[C@@H]2CCN(c3ccc(F)cc3C#N)[C@@H]2C1 ZINC000272149767 394767460 /nfs/dbraw/zinc/76/74/60/394767460.db2.gz CZUZFCHOBBVPMT-IAQYHMDHSA-N 0 3 259.328 2.228 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(C#N)c3)[C@H]2C1 ZINC000272270617 394769638 /nfs/dbraw/zinc/76/96/38/394769638.db2.gz CKUZXLBZTMSQNH-HIFRSBDPSA-N 0 3 284.363 2.116 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNc1ccnc(C)n1)C(C)C ZINC000360226622 394794387 /nfs/dbraw/zinc/79/43/87/394794387.db2.gz XLHBAJSQIBCUDA-HNNXBMFYSA-N 0 3 274.412 2.317 20 30 CEEDHN CC#CCCN1C[C@@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000360437888 394800947 /nfs/dbraw/zinc/80/09/47/394800947.db2.gz ORMWHURDWYSCJW-LSDHHAIUSA-N 0 3 250.386 2.121 20 30 CEEDHN CCCCO[C@@H]1C[C@H](NC(=O)C(C)C#N)C1(C)C ZINC000361092407 394815919 /nfs/dbraw/zinc/81/59/19/394815919.db2.gz HYOQYUAJMVZWIQ-GRYCIOLGSA-N 0 3 252.358 2.246 20 30 CEEDHN C[C@@H](C(=O)N1CCC(F)(C#N)CC1)N1[C@H](C)CC[C@@H]1C ZINC000359367405 394750206 /nfs/dbraw/zinc/75/02/06/394750206.db2.gz ZQIHIYBWTRJLII-XQQFMLRXSA-N 0 3 281.375 2.102 20 30 CEEDHN C=CCN1CC[C@H](N2CCC[C@H]2Cc2ccccc2)C1=O ZINC000281907909 394873085 /nfs/dbraw/zinc/87/30/85/394873085.db2.gz GFSOWWOMOOXZNN-IRXDYDNUSA-N 0 3 284.403 2.480 20 30 CEEDHN OCC1(NCC#Cc2ccc(F)cc2)Cc2ccccc2C1 ZINC000363533622 394879905 /nfs/dbraw/zinc/87/99/05/394879905.db2.gz ILAWZBUNXRSAPK-UHFFFAOYSA-N 0 3 295.357 2.297 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)c2ccc(F)c(C#N)c2)C1 ZINC000278774470 394834680 /nfs/dbraw/zinc/83/46/80/394834680.db2.gz GYOTVIHKRXRITH-LBPRGKRZSA-N 0 3 289.354 2.159 20 30 CEEDHN CCO[C@H]1COCC[C@@H]1NCC#Cc1ccccc1Cl ZINC000362029373 394842436 /nfs/dbraw/zinc/84/24/36/394842436.db2.gz SMSVQOBBDAXJDB-HOTGVXAUSA-N 0 3 293.794 2.475 20 30 CEEDHN CCSCC[C@@H](C)N(C)CC(=O)N(CC)CCC#N ZINC000362447686 394860960 /nfs/dbraw/zinc/86/09/60/394860960.db2.gz CUSHLPWVBCKMGG-CYBMUJFWSA-N 0 3 285.457 2.212 20 30 CEEDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc(CC#N)cc1 ZINC000338297933 394912517 /nfs/dbraw/zinc/91/25/17/394912517.db2.gz UVHWXWMPFVVAMO-OLZOCXBDSA-N 0 3 274.364 2.430 20 30 CEEDHN C#CCOc1ccc([C@H](C)NCC2([S@@](C)=O)CC2)cc1 ZINC000282411576 394919009 /nfs/dbraw/zinc/91/90/09/394919009.db2.gz SEIRHMHERQXQAI-RNODOKPDSA-N 0 3 291.416 2.260 20 30 CEEDHN C=CCOCCN1CCC(C(=O)NCCCCC)CC1 ZINC000338905382 394933401 /nfs/dbraw/zinc/93/34/01/394933401.db2.gz RUDKEOCALLYNDI-UHFFFAOYSA-N 0 3 282.428 2.207 20 30 CEEDHN COCCCOC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000339005559 394936453 /nfs/dbraw/zinc/93/64/53/394936453.db2.gz UWXCOQGBEFXRQF-ZIAGYGMSSA-N 0 3 266.385 2.196 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)OCC ZINC000339355930 394956296 /nfs/dbraw/zinc/95/62/96/394956296.db2.gz GVZYGYSVAYVIIL-ZNMIVQPWSA-N 0 3 282.428 2.299 20 30 CEEDHN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)CCOCCC#N ZINC000339039819 394938450 /nfs/dbraw/zinc/93/84/50/394938450.db2.gz GVENYEKBCOTTPW-CJNGLKHVSA-N 0 3 274.364 2.241 20 30 CEEDHN C=CCN[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000283956485 394939855 /nfs/dbraw/zinc/93/98/55/394939855.db2.gz HUMFMIPEYAFKCV-UONOGXRCSA-N 0 3 252.308 2.486 20 30 CEEDHN C#CC[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC000283973101 394939884 /nfs/dbraw/zinc/93/98/84/394939884.db2.gz FJJGULUUCDHVFF-GDBMZVCRSA-N 0 3 291.416 2.165 20 30 CEEDHN C[C@H]1C[C@H](c2cccnc2)N(CCOCCC#N)C1 ZINC000339088149 394941770 /nfs/dbraw/zinc/94/17/70/394941770.db2.gz BDXKHNNLNCSQEX-DZGCQCFKSA-N 0 3 259.353 2.395 20 30 CEEDHN C=CCN(CCc1ccco1)CCc1ccnn1C ZINC000284258590 394942754 /nfs/dbraw/zinc/94/27/54/394942754.db2.gz DCOLSUZMGWCGIG-UHFFFAOYSA-N 0 3 259.353 2.286 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)C1 ZINC000339128309 394945216 /nfs/dbraw/zinc/94/52/16/394945216.db2.gz RZMIYINBAMPUOO-NOOOWODRSA-N 0 3 276.302 2.314 20 30 CEEDHN N#CCCOCCN[C@@H]1CCCc2c(O)cccc21 ZINC000339128803 394945313 /nfs/dbraw/zinc/94/53/13/394945313.db2.gz RDIVGDUVQXIRKC-CQSZACIVSA-N 0 3 260.337 2.289 20 30 CEEDHN C=CCN(C)CCC(=O)N1CCCc2ccccc21 ZINC000284837932 394950338 /nfs/dbraw/zinc/95/03/38/394950338.db2.gz BUCDXOZAGPPAIZ-UHFFFAOYSA-N 0 3 258.365 2.474 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000339206293 394951813 /nfs/dbraw/zinc/95/18/13/394951813.db2.gz SCHQPGOMOZFRQD-OAHLLOKOSA-N 0 3 294.439 2.302 20 30 CEEDHN N#CCCOCCN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000339204759 394952058 /nfs/dbraw/zinc/95/20/58/394952058.db2.gz OWBPYYBBEPTUMZ-KRWDZBQOSA-N 0 3 286.375 2.386 20 30 CEEDHN CC[C@H](CC#N)NC(=O)Nc1cccc(CNC)c1 ZINC000415935135 394983410 /nfs/dbraw/zinc/98/34/10/394983410.db2.gz SQQLYBGYEMTHDS-GFCCVEGCSA-N 0 3 260.341 2.220 20 30 CEEDHN C=CCC[C@H](NCC[C@@H](O)COC)c1ccco1 ZINC000286018010 395001159 /nfs/dbraw/zinc/00/11/59/395001159.db2.gz INOYSWRNZNLHQZ-OLZOCXBDSA-N 0 3 253.342 2.274 20 30 CEEDHN COc1ccc(CN2CCCC[C@H](CO)C2)cc1C#N ZINC000370874208 395020888 /nfs/dbraw/zinc/02/08/88/395020888.db2.gz YRMRLPHWRNCOGX-AWEZNQCLSA-N 0 3 274.364 2.161 20 30 CEEDHN CNC(=O)CC[C@H]1CCCCN1CC#Cc1ccccc1 ZINC000286392057 395021655 /nfs/dbraw/zinc/02/16/55/395021655.db2.gz IXEOFLRHHHHNQU-QGZVFWFLSA-N 0 3 284.403 2.419 20 30 CEEDHN CNC(=O)CC[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000286392055 395021784 /nfs/dbraw/zinc/02/17/84/395021784.db2.gz IXEOFLRHHHHNQU-KRWDZBQOSA-N 0 3 284.403 2.419 20 30 CEEDHN C=C(C)[C@H](CC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)OCC ZINC000339440810 394961485 /nfs/dbraw/zinc/96/14/85/394961485.db2.gz JIUDFARXCILTSQ-NFAWXSAZSA-N 0 3 280.412 2.099 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)CCC1CC1 ZINC000135292481 394965096 /nfs/dbraw/zinc/96/50/96/394965096.db2.gz AISXUCDKGLBQJG-ZDUSSCGKSA-N 0 3 250.386 2.307 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]1CSC ZINC000135453794 394966152 /nfs/dbraw/zinc/96/61/52/394966152.db2.gz YJRUCFITWUNURY-CYBMUJFWSA-N 0 3 268.426 2.014 20 30 CEEDHN COc1ccc(C[C@H](C)CNC(=O)C(C)C#N)cc1OC ZINC000343046842 395030501 /nfs/dbraw/zinc/03/05/01/395030501.db2.gz KLVFINKYFQPTFT-RYUDHWBXSA-N 0 3 290.363 2.158 20 30 CEEDHN C[C@H](CC#N)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000373035523 395052786 /nfs/dbraw/zinc/05/27/86/395052786.db2.gz MZWWBLAUAQBPNH-OCCSQVGLSA-N 0 3 263.385 2.202 20 30 CEEDHN C[C@@H]1C[C@]2(CCO1)CN(CCCSCC#N)C[C@H](C)O2 ZINC000374015691 395070196 /nfs/dbraw/zinc/07/01/96/395070196.db2.gz XBMIKXASPOWUAS-QLFBSQMISA-N 0 3 298.452 2.292 20 30 CEEDHN C#C[C@@H](C)NCc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000289603062 395081297 /nfs/dbraw/zinc/08/12/97/395081297.db2.gz VHPQZFUGPSXYAB-LLVKDONJSA-N 0 3 273.332 2.122 20 30 CEEDHN C#CCN[C@@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374807799 395088016 /nfs/dbraw/zinc/08/80/16/395088016.db2.gz CRIDBOYIEYQXQF-UKRRQHHQSA-N 0 3 282.309 2.462 20 30 CEEDHN C=C[C@@H](CO)N[C@H](C)CC(=O)Nc1cccc(C)c1C ZINC000289817489 395088319 /nfs/dbraw/zinc/08/83/19/395088319.db2.gz OTRCRBKPBGFHPV-OCCSQVGLSA-N 0 3 276.380 2.157 20 30 CEEDHN C=CCOCCCC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346195545 395091016 /nfs/dbraw/zinc/09/10/16/395091016.db2.gz QCNZUXXKWCTMRP-HRCADAONSA-N 0 3 294.439 2.158 20 30 CEEDHN C=C[C@](C)(O)CC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000346272120 395092842 /nfs/dbraw/zinc/09/28/42/395092842.db2.gz CBIFNVFSOQEQPE-WBVHZDCISA-N 0 3 290.407 2.041 20 30 CEEDHN C#CCN(CCc1cn[nH]c1)Cc1ccc(F)cc1 ZINC000290101419 395093978 /nfs/dbraw/zinc/09/39/78/395093978.db2.gz SBLGRWQKCCPLPU-UHFFFAOYSA-N 0 3 257.312 2.227 20 30 CEEDHN C#CCCCCN[C@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000372358975 395040414 /nfs/dbraw/zinc/04/04/14/395040414.db2.gz UAYZFDLKUZMATR-AWEZNQCLSA-N 0 3 295.379 2.437 20 30 CEEDHN C[C@H]1[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])CCCN1C ZINC000343530846 395041167 /nfs/dbraw/zinc/04/11/67/395041167.db2.gz PGWRMWRJPKUUGW-CMPLNLGQSA-N 0 3 274.324 2.361 20 30 CEEDHN C#CCCN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000372386871 395041249 /nfs/dbraw/zinc/04/12/49/395041249.db2.gz XOZTYIRXQSESFF-GFCCVEGCSA-N 0 3 291.782 2.409 20 30 CEEDHN C[C@@H](C#N)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000346928288 395113532 /nfs/dbraw/zinc/11/35/32/395113532.db2.gz VLSFGFKZPOXOKS-JTQLQIEISA-N 0 3 295.770 2.379 20 30 CEEDHN CN1CCC(CC(=O)N[C@H](C#N)C2CCCCC2)CC1 ZINC000346944028 395114863 /nfs/dbraw/zinc/11/48/63/395114863.db2.gz MOXQJPPMICBWEE-OAHLLOKOSA-N 0 3 277.412 2.307 20 30 CEEDHN CN(C)C1CN(c2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000347402190 395123425 /nfs/dbraw/zinc/12/34/25/395123425.db2.gz FMHSIHHNFXEADI-UHFFFAOYSA-N 0 3 288.301 2.135 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000348653947 395148660 /nfs/dbraw/zinc/14/86/60/395148660.db2.gz MFXSGHKPQBCQQR-MRXNPFEDSA-N 0 3 273.380 2.304 20 30 CEEDHN CC(=O)c1ccc(C#N)c(NC[C@@H](C)CN(C)C)c1 ZINC000291646496 395150192 /nfs/dbraw/zinc/15/01/92/395150192.db2.gz BNIJUDAFYKVQCY-LLVKDONJSA-N 0 3 259.353 2.370 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000178403110 395167617 /nfs/dbraw/zinc/16/76/17/395167617.db2.gz TWXWFQJDVIUFKG-UHFFFAOYSA-N 0 3 281.359 2.150 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@](C)(O)C1 ZINC000178543840 395169055 /nfs/dbraw/zinc/16/90/55/395169055.db2.gz OJPQMPLDJZNTMZ-MRXNPFEDSA-N 0 3 258.365 2.444 20 30 CEEDHN C[C@H](O)[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000183205236 395253354 /nfs/dbraw/zinc/25/33/54/395253354.db2.gz DBKKXOQRPOHBCR-GXTWGEPZSA-N 0 3 263.768 2.394 20 30 CEEDHN C=C(C)CCN(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000351855512 395238462 /nfs/dbraw/zinc/23/84/62/395238462.db2.gz GJNOERDKQAPQMV-CHWSQXEVSA-N 0 3 259.415 2.240 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1cccc(C)c1Cl ZINC000293850787 395253915 /nfs/dbraw/zinc/25/39/15/395253915.db2.gz ALAJGRMLOHVICX-UHFFFAOYSA-N 0 3 292.810 2.262 20 30 CEEDHN C#CCNC(=O)CCN1CCC[C@H]1c1ccc(F)cc1 ZINC000293592308 395242037 /nfs/dbraw/zinc/24/20/37/395242037.db2.gz UNYYGFZZAHDMOQ-HNNXBMFYSA-N 0 3 274.339 2.102 20 30 CEEDHN CC[C@H](CO)N1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411297687 395324594 /nfs/dbraw/zinc/32/45/94/395324594.db2.gz RSJCBHHADLHTFQ-MRXNPFEDSA-N 0 3 293.455 2.239 20 30 CEEDHN COc1ccc(CCNCc2ccc(C#N)s2)cn1 ZINC000527794123 395280966 /nfs/dbraw/zinc/28/09/66/395280966.db2.gz XCOHSPNLHMJMNV-UHFFFAOYSA-N 0 3 273.361 2.356 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC(Cn2ccnn2)CC1 ZINC000186311818 395289005 /nfs/dbraw/zinc/28/90/05/395289005.db2.gz KEEVHAQIRGBCIK-UHFFFAOYSA-N 0 3 295.390 2.370 20 30 CEEDHN COC(=O)N1CCC([C@@H](C)NCc2ccc(C#N)o2)CC1 ZINC000186363104 395290158 /nfs/dbraw/zinc/29/01/58/395290158.db2.gz XFWRZLNQWPBNAK-LLVKDONJSA-N 0 3 291.351 2.108 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H](C)CC1(C)C ZINC000408290224 395296349 /nfs/dbraw/zinc/29/63/49/395296349.db2.gz ICJSWRSJTVHCAO-WFASDCNBSA-N 0 3 265.401 2.161 20 30 CEEDHN CC(=O)NC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000187665038 395304463 /nfs/dbraw/zinc/30/44/63/395304463.db2.gz ZIXCGIUDJMBNQQ-GFCCVEGCSA-N 0 3 271.364 2.220 20 30 CEEDHN COc1ccccc1[C@@H](CNC(=O)C(C)C#N)OC(C)C ZINC000354312692 395326979 /nfs/dbraw/zinc/32/69/79/395326979.db2.gz PYJHLGRKXCYILZ-IUODEOHRSA-N 0 3 290.363 2.437 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(OCc2ccncc2)cc1 ZINC000352455416 395255247 /nfs/dbraw/zinc/25/52/47/395255247.db2.gz YVGPPTOMDZIBEJ-MRXNPFEDSA-N 0 3 284.359 2.297 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(C(C)(F)F)cc1 ZINC000293969269 395260532 /nfs/dbraw/zinc/26/05/32/395260532.db2.gz LUOLTIOGJNMUNR-UHFFFAOYSA-N 0 3 294.345 2.483 20 30 CEEDHN C=CCOc1ccc(CC(=O)N[C@H]2CCN(CC)C2)cc1 ZINC000412870121 395369285 /nfs/dbraw/zinc/36/92/85/395369285.db2.gz FJCVRUSZVTUCPI-HNNXBMFYSA-N 0 3 288.391 2.004 20 30 CEEDHN C#CCCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000192194158 395375527 /nfs/dbraw/zinc/37/55/27/395375527.db2.gz MLKGVVMXSVLERF-WBVHZDCISA-N 0 3 270.376 2.352 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2cccc(CN3CCOCC3)c2)C1 ZINC000442708584 395390617 /nfs/dbraw/zinc/39/06/17/395390617.db2.gz JSXQPONMBWCERU-MAUKXSAKSA-N 0 3 299.418 2.301 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000411633752 395333698 /nfs/dbraw/zinc/33/36/98/395333698.db2.gz JTAUOCJQCGYWHP-OUAUKWLOSA-N 0 3 264.291 2.314 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1ncnn1-c1ccccc1 ZINC000411646582 395333904 /nfs/dbraw/zinc/33/39/04/395333904.db2.gz MPSQQNXFZCNBQG-UHFFFAOYSA-N 0 3 299.422 2.207 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000411696593 395335503 /nfs/dbraw/zinc/33/55/03/395335503.db2.gz QTRMWXDJRAENPU-KGLIPLIRSA-N 0 3 289.379 2.414 20 30 CEEDHN C[C@@H](CCC#N)N1CCC(Oc2cnccn2)CC1 ZINC000411659597 395335705 /nfs/dbraw/zinc/33/57/05/395335705.db2.gz ZEEYSFXJONRMAZ-LBPRGKRZSA-N 0 3 260.341 2.012 20 30 CEEDHN C[C@@H](CCC#N)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000411724112 395337436 /nfs/dbraw/zinc/33/74/36/395337436.db2.gz YGHLQURTRCKYBJ-WDEREUQCSA-N 0 3 264.291 2.458 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)[C@](C)(OC)C1CC1 ZINC000411960376 395342439 /nfs/dbraw/zinc/34/24/39/395342439.db2.gz ZAIDEBHIIRKHDD-BBRMVZONSA-N 0 3 282.428 2.204 20 30 CEEDHN CN(CC(=O)NCC#N)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000412015441 395344355 /nfs/dbraw/zinc/34/43/55/395344355.db2.gz SMLMJEROXZVWJQ-HOTGVXAUSA-N 0 3 285.391 2.284 20 30 CEEDHN CCN(CC(=O)N[C@](C)(C#N)C1CC1)C1CC(C)(C)C1 ZINC000412035615 395344850 /nfs/dbraw/zinc/34/48/50/395344850.db2.gz LCFZXBLHVUYQBK-MRXNPFEDSA-N 0 3 277.412 2.305 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CC(C)(C)C[C@@H]1C ZINC000412028261 395345211 /nfs/dbraw/zinc/34/52/11/395345211.db2.gz WVHCOASJKMFTPF-ZDUSSCGKSA-N 0 3 250.386 2.307 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC(C)(C)C[C@H]1C ZINC000412050573 395347138 /nfs/dbraw/zinc/34/71/38/395347138.db2.gz YUFHJTYFNPZOJS-QWHCGFSZSA-N 0 3 265.401 2.115 20 30 CEEDHN Cc1cc(C(=O)NC[C@@H]2CCN2C2CCCC2)ncc1C#N ZINC000530021590 395453689 /nfs/dbraw/zinc/45/36/89/395453689.db2.gz ABHSCWPOHWCEFX-HNNXBMFYSA-N 0 3 298.390 2.008 20 30 CEEDHN C[C@@H](CNC(=O)Cc1cccc(C#N)c1)N1CCCC[C@H]1C ZINC000530909661 395457972 /nfs/dbraw/zinc/45/79/72/395457972.db2.gz DFTYIJBVDNDDNR-CABCVRRESA-N 0 3 299.418 2.480 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000573107459 395599978 /nfs/dbraw/zinc/59/99/78/395599978.db2.gz VRKKQHLEDCRRMU-GUTXKFCHSA-N 0 3 250.386 2.284 20 30 CEEDHN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc(C#N)s1 ZINC000449424469 395548256 /nfs/dbraw/zinc/54/82/56/395548256.db2.gz PDDBQKANPRPTDP-ZWNOBZJWSA-N 0 3 250.367 2.213 20 30 CEEDHN CC(C)[C@@H](CO)[C@H](NCc1nc(C#N)cs1)C(C)C ZINC000449512734 395552221 /nfs/dbraw/zinc/55/22/21/395552221.db2.gz QBQBGLVQMKYGMV-TZMCWYRMSA-N 0 3 281.425 2.393 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC)c(O)c1 ZINC000449548808 395554254 /nfs/dbraw/zinc/55/42/54/395554254.db2.gz QWAYWMOSZXSSER-OCCSQVGLSA-N 0 3 263.337 2.224 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)o1 ZINC000449551550 395554415 /nfs/dbraw/zinc/55/44/15/395554415.db2.gz GWCOJTIHJRJFFG-JHJVBQTASA-N 0 3 260.337 2.134 20 30 CEEDHN C[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccc(Cl)cc1 ZINC000568502449 395562733 /nfs/dbraw/zinc/56/27/33/395562733.db2.gz QISWAJMSRWNYHI-DOMZBBRYSA-N 0 3 295.814 2.197 20 30 CEEDHN C[C@@H](CNc1nccc(C#N)n1)N1CCCC[C@@H]1C ZINC000450258968 395570165 /nfs/dbraw/zinc/57/01/65/395570165.db2.gz UJDVHAIWUNJHQF-RYUDHWBXSA-N 0 3 259.357 2.023 20 30 CEEDHN N#CCC1CCN(Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000568895085 395571096 /nfs/dbraw/zinc/57/10/96/395571096.db2.gz TUGXALVVEMDJLP-UHFFFAOYSA-N 0 3 285.347 2.143 20 30 CEEDHN C[C@@H](CO)N1CCCN(c2cccc(Cl)c2C#N)CC1 ZINC000450472722 395571965 /nfs/dbraw/zinc/57/19/65/395571965.db2.gz FXFIJQGFDCNSBF-LBPRGKRZSA-N 0 3 293.798 2.105 20 30 CEEDHN CC[C@H](C)N1CCN(c2ccc(C)c(C#N)n2)CC1 ZINC000450858219 395579837 /nfs/dbraw/zinc/57/98/37/395579837.db2.gz LAQZLZIINUHOJB-ZDUSSCGKSA-N 0 3 258.369 2.182 20 30 CEEDHN Cc1nccn1CCCCNC[C@H](C#N)CCC#N ZINC000570082597 395581178 /nfs/dbraw/zinc/58/11/78/395581178.db2.gz OKAZOSSGMRMETH-AWEZNQCLSA-N 0 3 259.357 2.005 20 30 CEEDHN CO[C@@H]1CCN(CCOc2cccc(C#N)c2)C[C@@H]1C ZINC000451553319 395622447 /nfs/dbraw/zinc/62/24/47/395622447.db2.gz YJGGQTWSTKVKPA-XJKSGUPXSA-N 0 3 274.364 2.294 20 30 CEEDHN CO[C@@H]1CCN(CCOc2ccccc2C#N)C[C@H]1C ZINC000451547291 395622658 /nfs/dbraw/zinc/62/26/58/395622658.db2.gz QPEHCWPFKMZZAD-UKRRQHHQSA-N 0 3 274.364 2.294 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@H](OC)[C@H](C)C1 ZINC000451574221 395623115 /nfs/dbraw/zinc/62/31/15/395623115.db2.gz RMWSFBXBAPSBTA-DOMZBBRYSA-N 0 3 274.364 2.424 20 30 CEEDHN CC1(C)CCCN1CCNC(=O)c1cc(C#N)cs1 ZINC000457065577 395634646 /nfs/dbraw/zinc/63/46/46/395634646.db2.gz YDYJVZWHXHWTOI-UHFFFAOYSA-N 0 3 277.393 2.224 20 30 CEEDHN Cc1ccc(N2CCN(C)[C@H](C(C)C)C2)nc1C#N ZINC000487087171 395667049 /nfs/dbraw/zinc/66/70/49/395667049.db2.gz RQUZRINIHKLKHP-AWEZNQCLSA-N 0 3 258.369 2.038 20 30 CEEDHN CS[C@@H]1CN(Cc2ccc(C#N)c(C)c2)C[C@H]1N(C)C ZINC000488163253 395668172 /nfs/dbraw/zinc/66/81/72/395668172.db2.gz OPYMTENYFMHNEQ-HZPDHXFCSA-N 0 3 289.448 2.344 20 30 CEEDHN Cc1cc(CN2CCN(C)[C@@H](C)[C@H]2C)ccc1C#N ZINC000488157935 395668183 /nfs/dbraw/zinc/66/81/83/395668183.db2.gz FHWXPJVUOLCPAM-UONOGXRCSA-N 0 3 257.381 2.391 20 30 CEEDHN C#C[C@H](NC[C@@H](O)COc1ccc(OCC)cc1)C(C)C ZINC000491382166 395669259 /nfs/dbraw/zinc/66/92/59/395669259.db2.gz HSACNHFIZCXDJI-PBHICJAKSA-N 0 3 291.391 2.072 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(CC)C1CC(C)(C)C1 ZINC000491425500 395669504 /nfs/dbraw/zinc/66/95/04/395669504.db2.gz AADTYVOIJUEMKU-UHFFFAOYSA-N 0 3 279.428 2.162 20 30 CEEDHN C#C[C@@H](CC)NCc1ccccc1N1CCOCC1 ZINC000491474092 395669839 /nfs/dbraw/zinc/66/98/39/395669839.db2.gz JYLVDBIQCQERPV-HNNXBMFYSA-N 0 3 258.365 2.025 20 30 CEEDHN C#C[C@H](CCC)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000491738537 395670675 /nfs/dbraw/zinc/67/06/75/395670675.db2.gz RGFYYVILOCNIFG-UKRRQHHQSA-N 0 3 262.397 2.312 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(Oc2ccc(OC)cc2)CC1 ZINC000649249344 396102769 /nfs/dbraw/zinc/10/27/69/396102769.db2.gz RXYUMSMIEMJVDT-KRWDZBQOSA-N 0 3 291.391 2.475 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCc2cc(OC)c(OC)cc2CC1 ZINC000649255752 396103979 /nfs/dbraw/zinc/10/39/79/396103979.db2.gz JXYYHHFOMVEKMZ-OAHLLOKOSA-N 0 3 291.391 2.041 20 30 CEEDHN COCC#CCN1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000646073821 396284628 /nfs/dbraw/zinc/28/46/28/396284628.db2.gz JPEHPFIBSOVHQM-MSOLQXFVSA-N 0 3 287.403 2.094 20 30 CEEDHN COCC#CCN[C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000646081436 396287323 /nfs/dbraw/zinc/28/73/23/396287323.db2.gz BPTHWMFWGCWQEY-KRWDZBQOSA-N 0 3 285.387 2.296 20 30 CEEDHN C=CCOc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1 ZINC000646921037 396390901 /nfs/dbraw/zinc/39/09/01/396390901.db2.gz YYDXSFCVYHHRSE-HOCLYGCPSA-N 0 3 286.375 2.028 20 30 CEEDHN C=CCN(CC=C)C[C@H](O)COc1ccc(C)cc1 ZINC000046345378 400167609 /nfs/dbraw/zinc/16/76/09/400167609.db2.gz CCJRGNRMSOUEQT-HNNXBMFYSA-N 0 3 261.365 2.409 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(CCOC)C1CCCC1 ZINC000046600362 400168839 /nfs/dbraw/zinc/16/88/39/400168839.db2.gz WCXYIEWHRZCJDC-UHFFFAOYSA-N 0 3 280.412 2.078 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc(C)cc(C#N)c2)CC1 ZINC000491337938 400590947 /nfs/dbraw/zinc/59/09/47/400590947.db2.gz DVJGYHMQJJPGKM-UHFFFAOYSA-N 0 3 281.359 2.150 20 30 CEEDHN C=CC[C@@H]1CC[C@H](NCc2nnc3n2CCCC3)C1 ZINC000651950223 401423022 /nfs/dbraw/zinc/42/30/22/401423022.db2.gz LRQNKDVQVUPDDO-OLZOCXBDSA-N 0 3 260.385 2.449 20 30 CEEDHN C[C@H](C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000360338990 155276108 /nfs/dbraw/zinc/27/61/08/155276108.db2.gz ZELBUFHJEIYREB-DCGLDWPTSA-N 0 3 297.402 2.261 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)[C@@H](CO)CC(C)C ZINC000185372743 286270467 /nfs/dbraw/zinc/27/04/67/286270467.db2.gz JKVCKGUYHYLXTR-OAHLLOKOSA-N 0 3 276.380 2.406 20 30 CEEDHN CN1CCC[C@H]1CNc1c(C#N)nnc2ccccc21 ZINC000226142753 153331698 /nfs/dbraw/zinc/33/16/98/153331698.db2.gz XJPFOBFXMYBLSN-NSHDSACASA-N 0 3 267.336 2.008 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](SC)C1 ZINC000296073533 154173022 /nfs/dbraw/zinc/17/30/22/154173022.db2.gz CCJXVVPTUGRZPK-ZDUSSCGKSA-N 0 3 292.404 2.383 20 30 CEEDHN CN(CC(=O)NCc1ccc(C#N)cc1)C[C@H]1CC=CCC1 ZINC000344082768 154269600 /nfs/dbraw/zinc/26/96/00/154269600.db2.gz RYIOHWKJQWQMDH-KRWDZBQOSA-N 0 3 297.402 2.463 20 30 CEEDHN CO[C@@]1(CN[C@@H](C)c2ccc(C#N)cc2F)CCOC1 ZINC000359411930 155007392 /nfs/dbraw/zinc/00/73/92/155007392.db2.gz FMERBIBESWNOTL-XHDPSFHLSA-N 0 3 278.327 2.153 20 30 CEEDHN N#Cc1cccc(OCCN2CCC[C@H](n3cccn3)C2)c1 ZINC000363121566 156001867 /nfs/dbraw/zinc/00/18/67/156001867.db2.gz CYYDTHCYNZRVNI-INIZCTEOSA-N 0 3 296.374 2.471 20 30 CEEDHN N#Cc1c(F)ccc(CNC[C@@H]2[C@H]3COC[C@H]32)c1Cl ZINC000375761559 157138971 /nfs/dbraw/zinc/13/89/71/157138971.db2.gz VZTLLQAHAUKLDQ-CNDDSTCGSA-N 0 3 280.730 2.333 20 30 CEEDHN CCN(CC)[C@@H](CNc1ccncc1C#N)c1ccco1 ZINC000547824697 298380156 /nfs/dbraw/zinc/38/01/56/298380156.db2.gz ONDWWAZHYQYZGF-HNNXBMFYSA-N 0 3 284.363 2.463 20 30 CEEDHN C[C@@H](CO)[C@@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC000119168059 286883649 /nfs/dbraw/zinc/88/36/49/286883649.db2.gz WCPWIAWPHLTSSH-LOCSVTFISA-N 0 3 258.365 2.217 20 30 CEEDHN CC1(C)C(=O)N[C@@H]1C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000562478818 298692428 /nfs/dbraw/zinc/69/24/28/298692428.db2.gz OUZFGFFKQHWCET-MRXNPFEDSA-N 0 3 297.402 2.295 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000284764019 196127937 /nfs/dbraw/zinc/12/79/37/196127937.db2.gz MIDIQGXGUXCCNP-ZACQAIPSSA-N 0 3 286.375 2.235 20 30 CEEDHN CN(CCOc1ccc(C#N)cc1)[C@H]1CCSC1 ZINC000037174830 173009574 /nfs/dbraw/zinc/00/95/74/173009574.db2.gz WGOJZEKPHHAGHT-ZDUSSCGKSA-N 0 3 262.378 2.374 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@@H](CC)[C@@H]1CCCCO1 ZINC000653881316 414773480 /nfs/dbraw/zinc/77/34/80/414773480.db2.gz WCTUBDAEONLTHC-GJZGRUSLSA-N 0 3 280.412 2.124 20 30 CEEDHN C=CCC1(NC(=O)C[C@@H](N)c2ccccc2)CCOCC1 ZINC000662875650 414783284 /nfs/dbraw/zinc/78/32/84/414783284.db2.gz WKWDVMKFFGPYIA-OAHLLOKOSA-N 0 3 288.391 2.318 20 30 CEEDHN C=C[C@@H](CC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccccc1 ZINC000662945302 414807497 /nfs/dbraw/zinc/80/74/97/414807497.db2.gz MHAVZWBZLFZXBD-NWANDNLSSA-N 0 3 276.355 2.244 20 30 CEEDHN C=CCCn1cc(CNC[C@@H](c2ccccc2)N(C)C)nn1 ZINC000657289431 414833771 /nfs/dbraw/zinc/83/37/71/414833771.db2.gz QMQMLBWGRVQUAQ-KRWDZBQOSA-N 0 3 299.422 2.247 20 30 CEEDHN C=CCCn1cc(CNCCC2CC(OCC)C2)nn1 ZINC000657445349 414940976 /nfs/dbraw/zinc/94/09/76/414940976.db2.gz BIEFYYQEXQMWDB-UHFFFAOYSA-N 0 3 278.400 2.149 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)NCCN(CC)C2CC2)C1 ZINC000660586658 414887959 /nfs/dbraw/zinc/88/79/59/414887959.db2.gz IGVHJRKTXJEWDJ-AWEZNQCLSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CCCn1cc(CNC2(CC=C)CCOCC2)nn1 ZINC000657634694 415031920 /nfs/dbraw/zinc/03/19/20/415031920.db2.gz OFDVYKOCLYZGCL-UHFFFAOYSA-N 0 3 276.384 2.069 20 30 CEEDHN C=CCOCCCNCc1cccc(OCC)n1 ZINC000657657904 415038249 /nfs/dbraw/zinc/03/82/49/415038249.db2.gz FUNCXRNENPZPDL-UHFFFAOYSA-N 0 3 250.342 2.163 20 30 CEEDHN C=CCOCCCNCc1cn2cc(C)ccc2n1 ZINC000657658767 415039645 /nfs/dbraw/zinc/03/96/45/415039645.db2.gz DKKWFQJNZNOMGB-UHFFFAOYSA-N 0 3 259.353 2.325 20 30 CEEDHN N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(C2CC2)C1 ZINC000044411803 175171996 /nfs/dbraw/zinc/17/19/96/175171996.db2.gz TUYHUMNNLNWTFG-LLVKDONJSA-N 0 3 272.308 2.115 20 30 CEEDHN CCN(CC)[C@@H](CNC(=O)[C@@H](C)C#N)c1ccccc1 ZINC000044809438 175257537 /nfs/dbraw/zinc/25/75/37/175257537.db2.gz SWPJXHTVNRPUDQ-ZFWWWQNUSA-N 0 3 273.380 2.345 20 30 CEEDHN CCCNC(=O)CCN[C@H](C)c1cccc(C#N)c1 ZINC000045072895 175302597 /nfs/dbraw/zinc/30/25/97/175302597.db2.gz ZXGOWPFJIYZXOO-GFCCVEGCSA-N 0 3 259.353 2.125 20 30 CEEDHN C=CCCN[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000658113668 415218478 /nfs/dbraw/zinc/21/84/78/415218478.db2.gz IFGZTRKQPSPWER-ZDUSSCGKSA-N 0 3 267.394 2.323 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000661504266 415301916 /nfs/dbraw/zinc/30/19/16/415301916.db2.gz CUDJQUZWIAXJIY-ZDUSSCGKSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCN(C(=O)C[C@H]1NCc2ccccc21)C1CC1 ZINC000659320507 415514413 /nfs/dbraw/zinc/51/44/13/415514413.db2.gz HNIBNIWHLZIBGV-OAHLLOKOSA-N 0 3 256.349 2.398 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1NCC1(C)C ZINC000659329155 415519798 /nfs/dbraw/zinc/51/97/98/415519798.db2.gz LWLUEVJRXDTOSQ-JHJVBQTASA-N 0 3 250.386 2.236 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CNC[C@H]1CCCO1 ZINC000659329973 415521395 /nfs/dbraw/zinc/52/13/95/415521395.db2.gz TZLIOICSFAMJRA-KFWWJZLASA-N 0 3 280.412 2.006 20 30 CEEDHN C=CCOCCN1CC[C@@H](N(C)c2ccccc2)C1 ZINC000662016189 415571123 /nfs/dbraw/zinc/57/11/23/415571123.db2.gz BEPGJZFOUIULEK-MRXNPFEDSA-N 0 3 260.381 2.400 20 30 CEEDHN C=CCN(C(=O)NC[C@H]1CCN1C(C)(C)C)[C@@H](C)COC ZINC000665354810 415704647 /nfs/dbraw/zinc/70/46/47/415704647.db2.gz AXQBFVYOWVIADY-UONOGXRCSA-N 0 3 297.443 2.092 20 30 CEEDHN C=C(CC)Cn1cc(COc2ccccc2CN)nn1 ZINC000656453151 415713333 /nfs/dbraw/zinc/71/33/33/415713333.db2.gz HYAJQNIGDAZWHR-UHFFFAOYSA-N 0 3 272.352 2.282 20 30 CEEDHN C=CC[C@@]1(C(=O)Nc2ccc(-c3nnc[n-]3)cc2)CCC[NH2+]1 ZINC000662587811 415895116 /nfs/dbraw/zinc/89/51/16/415895116.db2.gz LXMBREVPILEXDO-INIZCTEOSA-N 0 3 297.362 2.109 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CSC)CC1 ZINC000077663064 177292838 /nfs/dbraw/zinc/29/28/38/177292838.db2.gz AQFWYYPXNAEFMV-LBPRGKRZSA-N 0 3 285.457 2.078 20 30 CEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1CC=CC1 ZINC000077996162 177315346 /nfs/dbraw/zinc/31/53/46/177315346.db2.gz PYTRHJLHSNXLDZ-UHFFFAOYSA-N 0 3 297.402 2.415 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC(C)CC2)CC1 ZINC000078545576 177352405 /nfs/dbraw/zinc/35/24/05/177352405.db2.gz RCYBDEWIWQOMDR-UHFFFAOYSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CCN(CCCC(=O)OC)Cc1cccc(C#N)c1 ZINC000078761309 177383541 /nfs/dbraw/zinc/38/35/41/177383541.db2.gz XYDXTXXLLNJZTO-UHFFFAOYSA-N 0 3 272.348 2.499 20 30 CEEDHN C[C@H]1[C@H](C)N(Cc2ccc(CC#N)cc2)CCN1C ZINC000334957355 225375273 /nfs/dbraw/zinc/37/52/73/225375273.db2.gz UXNYWQBEURAOKL-KBPBESRZSA-N 0 3 257.381 2.277 20 30 CEEDHN Cc1csc(NC2CCN(C(=O)C(C)C#N)CC2)n1 ZINC000354511011 227019705 /nfs/dbraw/zinc/01/97/05/227019705.db2.gz WHNDPECVWYQEGY-VIFPVBQESA-N 0 3 278.381 2.014 20 30 CEEDHN N#CCCCN1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000352563744 227070487 /nfs/dbraw/zinc/07/04/87/227070487.db2.gz SXEZLXURABYTTB-LLVKDONJSA-N 0 3 291.317 2.071 20 30 CEEDHN CC(C#N)C(=O)N1CCN(c2cccc(F)c2)C[C@H]1C ZINC000336576821 227130730 /nfs/dbraw/zinc/13/07/30/227130730.db2.gz QMPKGESHQIMEHH-VXGBXAGGSA-N 0 3 275.327 2.022 20 30 CEEDHN Cc1cc(CNC(=O)C23CCCN2CCC3)nc(C)n1 ZINC000329143600 227324152 /nfs/dbraw/zinc/32/41/52/227324152.db2.gz MGBSLEBMULWCOU-UHFFFAOYSA-N 0 3 274.368 2.178 20 30 CEEDHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1cc(C#N)ccn1 ZINC000436005842 419410848 /nfs/dbraw/zinc/41/08/48/419410848.db2.gz LYJCSLJQSXNDIN-BONVTDFDSA-N 0 3 295.298 2.120 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(F)ccn2)CC1 ZINC000667651500 419751031 /nfs/dbraw/zinc/75/10/31/419751031.db2.gz YLLQOKCYIMIADG-UHFFFAOYSA-N 0 3 292.358 2.383 20 30 CEEDHN C[C@@H](C#N)CN(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000297956466 260138666 /nfs/dbraw/zinc/13/86/66/260138666.db2.gz WCKJMFXKWIVZKF-GOEBONIOSA-N 0 3 257.381 2.352 20 30 CEEDHN C[C@@H]1OCC[C@]1(O)CN(CCCC#N)Cc1ccccc1 ZINC000447916838 260165341 /nfs/dbraw/zinc/16/53/41/260165341.db2.gz PUMYOWAFXOXGRF-RDJZCZTQSA-N 0 3 288.391 2.332 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C1(C#N)CCCC1 ZINC000408051589 260197885 /nfs/dbraw/zinc/19/78/85/260197885.db2.gz IJFOSTPUBZPMNN-KGLIPLIRSA-N 0 3 277.412 2.307 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(C#N)CC23CCCC3)CCN1C ZINC000449983781 261062836 /nfs/dbraw/zinc/06/28/36/261062836.db2.gz DECBMLGEDAGNHW-KEYYUXOJSA-N 0 3 289.423 2.402 20 30 CEEDHN C=CC1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000360743730 261099539 /nfs/dbraw/zinc/09/95/39/261099539.db2.gz GDMXXRRZFASCED-OAHLLOKOSA-N 0 3 297.468 2.031 20 30 CEEDHN CCN(CCC#N)C(=O)CNC1(c2ccccc2)CCC1 ZINC000104665394 261299041 /nfs/dbraw/zinc/29/90/41/261299041.db2.gz IAEJCGSHEOUOSG-UHFFFAOYSA-N 0 3 285.391 2.418 20 30 CEEDHN CC(C)(C#N)C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000107634070 261379869 /nfs/dbraw/zinc/37/98/69/261379869.db2.gz KDBOABCTPGNRQS-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@H](C)CC(F)(F)F)CC1 ZINC000491813012 262087131 /nfs/dbraw/zinc/08/71/31/262087131.db2.gz AAHGJMSBWZLSEZ-LLVKDONJSA-N 0 3 290.329 2.036 20 30 CEEDHN C#Cc1ccc(CN[C@@H]2COc3ccccc3[C@H]2O)cc1 ZINC000367657005 262183204 /nfs/dbraw/zinc/18/32/04/262183204.db2.gz FUPJDDNKPWNNAB-SJLPKXTDSA-N 0 3 279.339 2.252 20 30 CEEDHN CN(Cc1ccccc1)C(=O)CN[C@H]1CCC[C@H](C#N)C1 ZINC000192702433 262208911 /nfs/dbraw/zinc/20/89/11/262208911.db2.gz FLNDVGVIEZLOOS-HOTGVXAUSA-N 0 3 285.391 2.317 20 30 CEEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000192746074 262210045 /nfs/dbraw/zinc/21/00/45/262210045.db2.gz GIDZEGVJNIRNPV-RRFJBIMHSA-N 0 3 283.375 2.464 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000160830314 262301325 /nfs/dbraw/zinc/30/13/25/262301325.db2.gz PJCCBTSPMHCMIS-KBPBESRZSA-N 0 3 298.390 2.214 20 30 CEEDHN O=C1C[C@@H]([C@@H]2CCCCN2CC#Cc2ccccc2)CN1 ZINC000365271000 262356988 /nfs/dbraw/zinc/35/69/88/262356988.db2.gz GJCXUDFKPNWSSM-SJORKVTESA-N 0 3 282.387 2.029 20 30 CEEDHN C[C@H]1OCC[C@]12CN(CCCC(C)(C)C#N)CCO2 ZINC000365548812 262369579 /nfs/dbraw/zinc/36/95/79/262369579.db2.gz ALAJAGRISUJSCS-HIFRSBDPSA-N 0 3 266.385 2.196 20 30 CEEDHN CC(C)(C#N)CCN1CCC(O[C@@H]2CCOC2)CC1 ZINC000336800124 262397176 /nfs/dbraw/zinc/39/71/76/262397176.db2.gz LCLLKQSAPVKNRJ-CQSZACIVSA-N 0 3 266.385 2.196 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(CC#N)cc3)[C@H]2C1 ZINC000272287836 263003205 /nfs/dbraw/zinc/00/32/05/263003205.db2.gz NRLVYFAKCKDPCG-ZBFHGGJFSA-N 0 3 298.390 2.311 20 30 CEEDHN COCCN1CC[C@@H](Nc2ccccc2O[C@H](C)C#N)C1 ZINC000273135641 263012971 /nfs/dbraw/zinc/01/29/71/263012971.db2.gz CSFICWJHZMURPR-ZIAGYGMSSA-N 0 3 289.379 2.110 20 30 CEEDHN C=CCOc1cccc(CN2CCNC[C@](C)(F)C2)c1 ZINC000414769328 263041955 /nfs/dbraw/zinc/04/19/55/263041955.db2.gz NGNHHFOQEIRONG-INIZCTEOSA-N 0 3 278.371 2.385 20 30 CEEDHN CCN(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279416970 263055384 /nfs/dbraw/zinc/05/53/84/263055384.db2.gz OPUBONSFCCPRGB-UHFFFAOYSA-N 0 3 269.352 2.310 20 30 CEEDHN CN1CCC(NC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280374018 263060792 /nfs/dbraw/zinc/06/07/92/263060792.db2.gz VPGFHPZFYQXTGT-UHFFFAOYSA-N 0 3 285.391 2.312 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCCN(c3nccs3)CC2)C1 ZINC000280724779 263064027 /nfs/dbraw/zinc/06/40/27/263064027.db2.gz CLJSIAINBPVSEL-OLZOCXBDSA-N 0 3 276.409 2.347 20 30 CEEDHN N#CC1CCN(C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287235564 263101320 /nfs/dbraw/zinc/10/13/20/263101320.db2.gz JRZHVDNHGZPBDL-OAHLLOKOSA-N 0 3 278.783 2.479 20 30 CEEDHN CCN(C[C@H](C)OC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000291178263 263120766 /nfs/dbraw/zinc/12/07/66/263120766.db2.gz FHQKPICXFKSLGH-XJKSGUPXSA-N 0 3 299.374 2.124 20 30 CEEDHN Cn1cccc1[C@H]1CCCCN1CCOCCC#N ZINC000292709726 263134039 /nfs/dbraw/zinc/13/40/39/263134039.db2.gz FAFHURMXVNJPEX-OAHLLOKOSA-N 0 3 261.369 2.482 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2cccc(N3CCOCC3)c2)C1 ZINC000340434233 263144834 /nfs/dbraw/zinc/14/48/34/263144834.db2.gz GKWOIKWKOBWWGQ-ZBFHGGJFSA-N 0 3 285.391 2.305 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2cccc(N3CCOCC3)c2)C1 ZINC000340434232 263145065 /nfs/dbraw/zinc/14/50/65/263145065.db2.gz GKWOIKWKOBWWGQ-HOCLYGCPSA-N 0 3 285.391 2.305 20 30 CEEDHN N#C[C@H]1CCC[C@H](N[C@H](CC(N)=O)c2ccccc2)C1 ZINC000293704109 263147333 /nfs/dbraw/zinc/14/73/33/263147333.db2.gz RYAQDQHPLFDCKB-AEGPPILISA-N 0 3 271.364 2.275 20 30 CEEDHN C[C@@H]1CN(C(=O)c2ccc(CC#N)cc2)CCN(C2CC2)C1 ZINC000295404896 263177260 /nfs/dbraw/zinc/17/72/60/263177260.db2.gz RWZYAMADVMYFJP-AWEZNQCLSA-N 0 3 297.402 2.309 20 30 CEEDHN C=CCc1ccccc1OC[C@H](O)CN(C)C1CC1 ZINC000298586565 263222356 /nfs/dbraw/zinc/22/23/56/263222356.db2.gz PPJJJQBZCRVOCT-OAHLLOKOSA-N 0 3 261.365 2.249 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cnc2ccc(Cl)cn12 ZINC000341275564 263330231 /nfs/dbraw/zinc/33/02/31/263330231.db2.gz PRPMKPWNOJRKCQ-LLVKDONJSA-N 0 3 279.771 2.262 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CCCN(C(C)C)CC1 ZINC000341440037 263338637 /nfs/dbraw/zinc/33/86/37/263338637.db2.gz OUXUIDMRCLPWAY-AWEZNQCLSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NC[C@@H]1CCCN1CC ZINC000341502203 263339963 /nfs/dbraw/zinc/33/99/63/263339963.db2.gz VLJJNTHODLIWOF-STQMWFEESA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCCCCCN(C)C[C@H]1CCCS(=O)(=O)C1 ZINC000341896965 263366322 /nfs/dbraw/zinc/36/63/22/263366322.db2.gz POAXYRAJEYBMJA-CQSZACIVSA-N 0 3 273.442 2.489 20 30 CEEDHN C=CCC[C@@H](O)CN[C@H](COC)c1ccc(F)cc1 ZINC000342341460 263423334 /nfs/dbraw/zinc/42/33/34/263423334.db2.gz QRZGORNAAAVSAZ-HUUCEWRRSA-N 0 3 267.344 2.430 20 30 CEEDHN CC(C)NC(=O)NC(=O)[C@H](C)N(C)C[C@H]1CC=CCC1 ZINC000330854013 264068565 /nfs/dbraw/zinc/06/85/65/264068565.db2.gz RRLWUWITAPYULP-STQMWFEESA-N 0 3 281.400 2.102 20 30 CEEDHN CSc1c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cnn1C ZINC000331081244 264116720 /nfs/dbraw/zinc/11/67/20/264116720.db2.gz OEBCJXPXIGMLCF-CMPLNLGQSA-N 0 3 296.440 2.175 20 30 CEEDHN CCOc1cccnc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000331134898 264134584 /nfs/dbraw/zinc/13/45/84/264134584.db2.gz USJZPCXJJRUBAK-VXGBXAGGSA-N 0 3 277.368 2.268 20 30 CEEDHN C[C@H](SCCN(C)C)C(=O)NC1(C#N)CCCCC1 ZINC000331326294 264190444 /nfs/dbraw/zinc/19/04/44/264190444.db2.gz OYWOLRJYGVOGGG-LBPRGKRZSA-N 0 3 283.441 2.012 20 30 CEEDHN CCCN1CCC(CNC(=O)C(=O)c2ccc[nH]2)CC1 ZINC000331350360 264206883 /nfs/dbraw/zinc/20/68/83/264206883.db2.gz YHTUTILYJSWHAA-UHFFFAOYSA-N 0 3 277.368 2.276 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@@H](CO)[C@H]2C)c1 ZINC000425963377 264222840 /nfs/dbraw/zinc/22/28/40/264222840.db2.gz CHQLMFSJJXCVMQ-HIFRSBDPSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCN(C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000161374978 264277780 /nfs/dbraw/zinc/27/77/80/264277780.db2.gz GUZBUELHTMBIBT-OAHLLOKOSA-N 0 3 258.365 2.295 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000180278493 264395754 /nfs/dbraw/zinc/39/57/54/264395754.db2.gz JOVYVAYWHRVXSY-MRXNPFEDSA-N 0 3 297.402 2.456 20 30 CEEDHN C=CCN1CCC(NC(=O)C(C)(C)C(F)F)CC1 ZINC000349737697 265207783 /nfs/dbraw/zinc/20/77/83/265207783.db2.gz WFNCSKIKSLAYFK-UHFFFAOYSA-N 0 3 260.328 2.044 20 30 CEEDHN C=CCCC1(C(=O)N[C@H]2CCCN(C)[C@@H]2C)CC1 ZINC000356731086 266165762 /nfs/dbraw/zinc/16/57/62/266165762.db2.gz JTASWTKSDDNRKO-OLZOCXBDSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)C2CCC2)CC1 ZINC000356920517 266210948 /nfs/dbraw/zinc/21/09/48/266210948.db2.gz FDLDIDBYMYSTQX-CYBMUJFWSA-N 0 3 279.428 2.467 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCCC1(O)CCC1 ZINC000357070629 266242310 /nfs/dbraw/zinc/24/23/10/266242310.db2.gz FTYCRUMBPRBCNQ-OAHLLOKOSA-N 0 3 286.375 2.180 20 30 CEEDHN C=CCOc1ccc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000357414218 266292621 /nfs/dbraw/zinc/29/26/21/266292621.db2.gz MCMULMNQXNTYEI-ZFWWWQNUSA-N 0 3 288.391 2.464 20 30 CEEDHN C=CCN1CCC(NC(=O)c2sc(CC)nc2C)CC1 ZINC000357822618 266372643 /nfs/dbraw/zinc/37/26/43/266372643.db2.gz SRTZEFYGSKIBMQ-UHFFFAOYSA-N 0 3 293.436 2.394 20 30 CEEDHN CCN(Cc1c(F)cccc1F)C(=O)C(C)C#N ZINC000357823732 266372696 /nfs/dbraw/zinc/37/26/96/266372696.db2.gz IBAAVVXVXABGGO-SECBINFHSA-N 0 3 252.264 2.473 20 30 CEEDHN C[C@@H](C#N)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000357921303 266386227 /nfs/dbraw/zinc/38/62/27/266386227.db2.gz YISZFKYUPFBQIJ-NSHDSACASA-N 0 3 295.333 2.015 20 30 CEEDHN CC#CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000359467900 266589671 /nfs/dbraw/zinc/58/96/71/266589671.db2.gz NCWZNBUHJGLFQB-HOCLYGCPSA-N 0 3 287.407 2.309 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cc(C(=O)OC)ccc1Cl ZINC000360994683 266764222 /nfs/dbraw/zinc/76/42/22/266764222.db2.gz FKCZYRCRORAQDM-LLVKDONJSA-N 0 3 297.782 2.401 20 30 CEEDHN CN1CCC(CC(=O)N[C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000362547520 267006345 /nfs/dbraw/zinc/00/63/45/267006345.db2.gz JYFNGIUZGVQJEW-HNNXBMFYSA-N 0 3 289.354 2.238 20 30 CEEDHN C=C[C@H](C)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000362655469 267030035 /nfs/dbraw/zinc/03/00/35/267030035.db2.gz LYOFVGINZMDSEO-DZGCQCFKSA-N 0 3 275.396 2.033 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CCCN(CCC)CC1)OCC ZINC000362775444 267044317 /nfs/dbraw/zinc/04/43/17/267044317.db2.gz CNFYYDQXPQHGLT-HNNXBMFYSA-N 0 3 282.428 2.302 20 30 CEEDHN CCN(CCNC(=O)/C=C\c1ccc(C#N)cc1)C1CC1 ZINC000491506917 267064261 /nfs/dbraw/zinc/06/42/61/267064261.db2.gz QUMCVDBNKPZUBE-YFHOEESVSA-N 0 3 283.375 2.172 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1cnn(C)c1C ZINC000363153091 267077645 /nfs/dbraw/zinc/07/76/45/267077645.db2.gz KBOLQUGOUDZHIA-UKRRQHHQSA-N 0 3 263.385 2.193 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000334917675 267122132 /nfs/dbraw/zinc/12/21/32/267122132.db2.gz QKEIYPYEEYZIQS-QMTHXVAHSA-N 0 3 253.305 2.212 20 30 CEEDHN CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000452018324 267145767 /nfs/dbraw/zinc/14/57/67/267145767.db2.gz QNBONPKUYLAUTJ-VXGBXAGGSA-N 0 3 293.392 2.105 20 30 CEEDHN CC[C@@H](CC#N)NC1CCN(c2nnc(C)s2)CC1 ZINC000368133606 267146851 /nfs/dbraw/zinc/14/68/51/267146851.db2.gz GMQOASHSOGOPJZ-NSHDSACASA-N 0 3 279.413 2.097 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000368368071 267166552 /nfs/dbraw/zinc/16/65/52/267166552.db2.gz YSMFQMDOPKJGHL-NUEKZKHPSA-N 0 3 293.432 2.369 20 30 CEEDHN C#CCCCN[C@@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000368379707 267167709 /nfs/dbraw/zinc/16/77/09/267167709.db2.gz GUWXMFNHIDIFOB-CYBMUJFWSA-N 0 3 281.352 2.047 20 30 CEEDHN CC[C@@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)N(C)C ZINC000425120577 267183018 /nfs/dbraw/zinc/18/30/18/267183018.db2.gz AWAIVDMHTDRFDV-WFASDCNBSA-N 0 3 273.380 2.418 20 30 CEEDHN CC#CCCN1CCC(NC(=O)c2cccs2)CC1 ZINC000368629843 267192310 /nfs/dbraw/zinc/19/23/10/267192310.db2.gz BVHDJFCQURMOCC-UHFFFAOYSA-N 0 3 276.405 2.356 20 30 CEEDHN CC[C@@H](NCCn1cnc(C#N)n1)c1ccc(F)cc1 ZINC000507216431 267193716 /nfs/dbraw/zinc/19/37/16/267193716.db2.gz USVOIJMLHJRAJC-CYBMUJFWSA-N 0 3 273.315 2.030 20 30 CEEDHN CC[C@@H]1CN(CCN[C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000494450883 267202905 /nfs/dbraw/zinc/20/29/05/267202905.db2.gz LNZMPYCXYLSHEI-WMLDXEAASA-N 0 3 287.407 2.320 20 30 CEEDHN CC[C@H](C)[C@H](O)CNCc1ccc(C#N)c(F)c1 ZINC000421330999 267207243 /nfs/dbraw/zinc/20/72/43/267207243.db2.gz YZEDIEXPSFANPD-IINYFYTJSA-N 0 3 250.317 2.194 20 30 CEEDHN CC(C)(C)CC(=O)N1CC[C@H]2CN(CCCC#N)C[C@H]21 ZINC000369029190 267218189 /nfs/dbraw/zinc/21/81/89/267218189.db2.gz WONNHOHLSOHBEP-UONOGXRCSA-N 0 3 277.412 2.259 20 30 CEEDHN CC[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)C(=O)NC ZINC000453407941 267223427 /nfs/dbraw/zinc/22/34/27/267223427.db2.gz PZOMWNSSUULELY-HOTGVXAUSA-N 0 3 285.391 2.440 20 30 CEEDHN CN(C)CC1(NC(=O)/C=C\c2ccc(C#N)cc2)CCC1 ZINC000492587881 267278944 /nfs/dbraw/zinc/27/89/44/267278944.db2.gz BZIVKHVYRRDBSP-HJWRWDBZSA-N 0 3 283.375 2.172 20 30 CEEDHN C#CCN1CC[C@]2(CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000370100138 267290822 /nfs/dbraw/zinc/29/08/22/267290822.db2.gz FHJZHPCXQOYVSN-XJKSGUPXSA-N 0 3 278.396 2.389 20 30 CEEDHN C#CCCCC(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000370110472 267292079 /nfs/dbraw/zinc/29/20/79/267292079.db2.gz IDAKCBRRXHUEKW-AWEZNQCLSA-N 0 3 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2.377 20 30 CEEDHN Cc1ccc(C#N)c(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)n1 ZINC000488719456 268029199 /nfs/dbraw/zinc/02/91/99/268029199.db2.gz YKQNDBZCLODPQX-HEHGZKQESA-N 0 3 284.407 2.428 20 30 CEEDHN N#Cc1cc(Cl)ccc1NC[C@@H]1CCCN1CCCO ZINC000450596114 268181467 /nfs/dbraw/zinc/18/14/67/268181467.db2.gz MYDURXFVNRZSGX-AWEZNQCLSA-N 0 3 293.798 2.470 20 30 CEEDHN N#Cc1ccc(C2=CCN(C[C@@H]3COCCO3)CC2)cc1 ZINC000450650523 268213028 /nfs/dbraw/zinc/21/30/28/268213028.db2.gz LVKBNRGQJCEFLP-QGZVFWFLSA-N 0 3 284.359 2.063 20 30 CEEDHN N#Cc1ccc([C@H](NC[C@@H]2CC[C@@H]3C[C@@H]3C2)C(N)=O)cc1 ZINC000530126176 268263304 /nfs/dbraw/zinc/26/33/04/268263304.db2.gz PQZOFNJAPHTVAG-OJLVUWQFSA-N 0 3 283.375 2.110 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC(CCO)CC1 ZINC000400967880 268282787 /nfs/dbraw/zinc/28/27/87/268282787.db2.gz NXQCXVSXPOSOCP-UHFFFAOYSA-N 0 3 274.364 2.031 20 30 CEEDHN N#Cc1cccc(NC[C@@H]2CCN2C2CCCC2)n1 ZINC000528208634 268283028 /nfs/dbraw/zinc/28/30/28/268283028.db2.gz KOOJKILIONUSGP-AWEZNQCLSA-N 0 3 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HBGRJCDLKKPGSA-INIZCTEOSA-N 0 3 275.396 2.061 20 30 CEEDHN CC(C)(C#N)CC(=O)N1CCN(C2CCCC2)CC1 ZINC000336044035 277120133 /nfs/dbraw/zinc/12/01/33/277120133.db2.gz ZDPUOLZXNIGXIC-UHFFFAOYSA-N 0 3 263.385 2.013 20 30 CEEDHN CN1CC[C@@H]2CCN(c3snc(Cl)c3C#N)C[C@H]21 ZINC000364298875 277148125 /nfs/dbraw/zinc/14/81/25/277148125.db2.gz CLQRTAWEBWOXNC-PSASIEDQSA-N 0 3 282.800 2.199 20 30 CEEDHN CNC(=O)[C@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000336106997 277249488 /nfs/dbraw/zinc/24/94/88/277249488.db2.gz RTNCJURIBBUELT-NHYWBVRUSA-N 0 3 271.364 2.050 20 30 CEEDHN COC(=O)[C@@H]1CC[C@@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353594560 277356350 /nfs/dbraw/zinc/35/63/50/277356350.db2.gz HGTQJQLFFQIADB-FMKPAKJESA-N 0 3 284.359 2.477 20 30 CEEDHN CC(C)NC(=O)CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000054048165 277650226 /nfs/dbraw/zinc/65/02/26/277650226.db2.gz CODFYGVSQBQBBX-LBPRGKRZSA-N 0 3 259.353 2.124 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000346686683 278306627 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298995330 /nfs/dbraw/zinc/99/53/30/298995330.db2.gz WHPUFDXYULABNS-BLLLJJGKSA-N 0 3 295.390 2.061 20 30 CEEDHN N#CCCCN(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000119887399 303150510 /nfs/dbraw/zinc/15/05/10/303150510.db2.gz ZOZGTHHEJYTWAX-OLZOCXBDSA-N 0 3 254.399 2.277 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000186712576 327701105 /nfs/dbraw/zinc/70/11/05/327701105.db2.gz GMCQYWMVYTYUGQ-HIFRSBDPSA-N 0 3 288.391 2.401 20 30 CEEDHN CN(C)Cc1ccccc1NC(=O)c1cc(C#N)ccn1 ZINC000554338299 313629844 /nfs/dbraw/zinc/62/98/44/313629844.db2.gz PRIGNCZIESQATL-UHFFFAOYSA-N 0 3 280.331 2.267 20 30 CEEDHN Cn1cc(CN[C@H]2COc3cc(F)ccc3C2)cc1C#N ZINC000569709317 314012432 /nfs/dbraw/zinc/01/24/32/314012432.db2.gz BAXZOTYFUQGVOA-CQSZACIVSA-N 0 3 285.322 2.129 20 30 CEEDHN N#Cc1cccc(OCCN2CC[C@@H](O)CC23CCC3)c1 ZINC000570705835 314054195 /nfs/dbraw/zinc/05/41/95/314054195.db2.gz CSLSKPLWABESCQ-OAHLLOKOSA-N 0 3 286.375 2.316 20 30 CEEDHN C[C@H]1COCCN1C1CCN(Cc2ccccc2C#N)CC1 ZINC000573181150 314144459 /nfs/dbraw/zinc/14/44/59/314144459.db2.gz AUDRRLRBVDCQEE-HNNXBMFYSA-N 0 3 299.418 2.243 20 30 CEEDHN CC(C)(C)C1=CCN(CCNc2ccc(C#N)cn2)CC1 ZINC000576026405 314234043 /nfs/dbraw/zinc/23/40/43/314234043.db2.gz UFWQPANLTXZOSI-UHFFFAOYSA-N 0 3 284.407 2.465 20 30 CEEDHN CCc1ccccc1[C@H](N)CNC(=O)C1(C#N)CCCC1 ZINC000563337930 328054821 /nfs/dbraw/zinc/05/48/21/328054821.db2.gz GSPCITNTLMKCQB-OAHLLOKOSA-N 0 3 285.391 2.449 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC2(CCCC2)C1 ZINC000174266811 329156044 /nfs/dbraw/zinc/15/60/44/329156044.db2.gz MZZKAPBLKPITBW-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC000185331121 329270511 /nfs/dbraw/zinc/27/05/11/329270511.db2.gz KPAPTIUPAKJBAH-LSDHHAIUSA-N 0 3 264.413 2.435 20 30 CEEDHN CC1(C)C[C@]1(C#N)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000292517008 328271145 /nfs/dbraw/zinc/27/11/45/328271145.db2.gz QGPPTXCAGSEGEU-IIYDPXPESA-N 0 3 298.342 2.099 20 30 CEEDHN CC(C)C[C@H](CO)N(C)Cc1cc(C#N)cs1 ZINC000580919062 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ZINC000562673055 327503432 /nfs/dbraw/zinc/50/34/32/327503432.db2.gz AMFWLCSJZRNDSL-UHFFFAOYSA-N 0 3 296.378 2.429 20 30 CEEDHN CC(C)(C#N)CCCCN1CCN(c2ncc[nH]2)CC1 ZINC000582249157 328848943 /nfs/dbraw/zinc/84/89/43/328848943.db2.gz GWIPMLFKRYZPPI-UHFFFAOYSA-N 0 3 275.400 2.252 20 30 CEEDHN CC(C)(C#N)CCCN1CC[C@H](NC(=O)C2CCC2)C1 ZINC000377935832 329035161 /nfs/dbraw/zinc/03/51/61/329035161.db2.gz ANYCJGJTKKTUMA-AWEZNQCLSA-N 0 3 277.412 2.307 20 30 CEEDHN CC(C)(C)N1CC[C@](F)(C(=O)N2CCC(C)(C#N)CC2)C1 ZINC000378129063 329040932 /nfs/dbraw/zinc/04/09/32/329040932.db2.gz AIGAEBMDZWHJEU-MRXNPFEDSA-N 0 3 295.402 2.351 20 30 CEEDHN C#CCOc1ccc(CN[C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000378322054 329046113 /nfs/dbraw/zinc/04/61/13/329046113.db2.gz CIPXASUKHBLMOE-DLBZAZTESA-N 0 3 271.360 2.356 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC2(CC2)CC1 ZINC000378329805 329046456 /nfs/dbraw/zinc/04/64/56/329046456.db2.gz YZDLOMORMJGTKH-UHFFFAOYSA-N 0 3 250.386 2.287 20 30 CEEDHN C=CCN1CCC(NC(=O)N(CCC)C2CC2)CC1 ZINC000171741985 329078734 /nfs/dbraw/zinc/07/87/34/329078734.db2.gz PTNUIPZUHFQADX-UHFFFAOYSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H](C)OCCC(C)C)CC1 ZINC000171717199 329078895 /nfs/dbraw/zinc/07/88/95/329078895.db2.gz UUJFFYOFIMWMPI-CQSZACIVSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CC[C@@H](CC)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000393860590 329090527 /nfs/dbraw/zinc/09/05/27/329090527.db2.gz GVEUMLCJHYLQRY-CQSZACIVSA-N 0 3 292.404 2.276 20 30 CEEDHN CC(C)(CCC#N)CN1CCC[C@@H]1C(=O)NC1CC1 ZINC000179491683 329208984 /nfs/dbraw/zinc/20/89/84/329208984.db2.gz UERFZHQJGBNWRN-CYBMUJFWSA-N 0 3 263.385 2.059 20 30 CEEDHN CC(C)N(CC(=O)N[C@@](C)(C#N)C(C)C)C(C)C ZINC000180447597 329217313 /nfs/dbraw/zinc/21/73/13/329217313.db2.gz RIILEMLITLXYAJ-AWEZNQCLSA-N 0 3 253.390 2.160 20 30 CEEDHN C=C(C)CN(C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000181402631 329232601 /nfs/dbraw/zinc/23/26/01/329232601.db2.gz ADVRWIVGNNDKPR-ZDUSSCGKSA-N 0 3 255.406 2.180 20 30 CEEDHN CC(C)OC(=O)C[C@@H]1CCCN(CCCC#N)C1 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ZINC000419264360 329713041 /nfs/dbraw/zinc/71/30/41/329713041.db2.gz XMWSCABPXAVFAU-LEWSCRJBSA-N 0 3 275.327 2.024 20 30 CEEDHN C[C@H]1c2c(F)cccc2CCN1C(=O)[C@@H](N)CCCC#N ZINC000520794631 329764954 /nfs/dbraw/zinc/76/49/54/329764954.db2.gz HALANENOMIOAGQ-FZMZJTMJSA-N 0 3 289.354 2.293 20 30 CEEDHN C=CCC1(C(=O)N(C)C[C@H]2CCCN2C)CCC1 ZINC000421711539 330069511 /nfs/dbraw/zinc/06/95/11/330069511.db2.gz OQAXFZUXCXINAB-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN CC#CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000270738844 330076829 /nfs/dbraw/zinc/07/68/29/330076829.db2.gz UHPPLNFDKWDCKN-WBVHZDCISA-N 0 3 299.418 2.220 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272967969 330087554 /nfs/dbraw/zinc/08/75/54/330087554.db2.gz OCINIJBZXQQXHC-ZDUSSCGKSA-N 0 3 265.401 2.244 20 30 CEEDHN C=CCOc1ccc(CNC[C@@H]2CCCC(=O)N2)cc1 ZINC000433178760 330170958 /nfs/dbraw/zinc/17/09/58/330170958.db2.gz VLOOOPWYKRCCTQ-AWEZNQCLSA-N 0 3 274.364 2.010 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCC2 ZINC000424071735 330220182 /nfs/dbraw/zinc/22/01/82/330220182.db2.gz BZVCYOZXIJVLII-AWEZNQCLSA-N 0 3 257.337 2.135 20 30 CEEDHN CC(C)CCC[C@@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424073626 330220325 /nfs/dbraw/zinc/22/03/25/330220325.db2.gz FPSSTIKGMFUVLG-CHWSQXEVSA-N 0 3 253.390 2.339 20 30 CEEDHN CC(C)N(Cc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000424075504 330220795 /nfs/dbraw/zinc/22/07/95/330220795.db2.gz JKAWLSCEIUGYBA-OAHLLOKOSA-N 0 3 273.380 2.445 20 30 CEEDHN CCOc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424080025 330221919 /nfs/dbraw/zinc/22/19/19/330221919.db2.gz HIWNPKREXZJXLM-CYBMUJFWSA-N 0 3 261.325 2.045 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCCCC1CCCC1 ZINC000424092770 330226076 /nfs/dbraw/zinc/22/60/76/330226076.db2.gz QKYBANJVDQLVJA-CYBMUJFWSA-N 0 3 251.374 2.094 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424128529 330259803 /nfs/dbraw/zinc/25/98/03/330259803.db2.gz RJRKJWMHZRKXQY-UPJWGTAASA-N 0 3 251.374 2.045 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424128526 330259931 /nfs/dbraw/zinc/25/99/31/330259931.db2.gz RJRKJWMHZRKXQY-AGIUHOORSA-N 0 3 251.374 2.045 20 30 CEEDHN CC[C@H](C)[C@H]1CCCCN1C(=O)[C@@H](N)CCCC#N ZINC000424133279 330265443 /nfs/dbraw/zinc/26/54/43/330265443.db2.gz XHWSUISJOMUPPH-MELADBBJSA-N 0 3 265.401 2.435 20 30 CEEDHN Cc1csc([C@H](NC(=O)[C@H](N)CCCC#N)C2CC2)n1 ZINC000424139776 330280236 /nfs/dbraw/zinc/28/02/36/330280236.db2.gz FJZJGGGDQMAFMZ-VXGBXAGGSA-N 0 3 292.408 2.040 20 30 CEEDHN C=C(C)CN1CCC(Nc2nccnc2OCCC)CC1 ZINC000527879491 330291620 /nfs/dbraw/zinc/29/16/20/330291620.db2.gz HWGLCOCZJBDWEP-UHFFFAOYSA-N 0 3 290.411 2.140 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(C(F)F)cc1 ZINC000424169568 330309232 /nfs/dbraw/zinc/30/92/32/330309232.db2.gz HDBBSXDZCSNCHU-LBPRGKRZSA-N 0 3 281.306 2.262 20 30 CEEDHN CN(Cc1cc(Cl)ccc1F)C(=O)[C@@H](N)CCCC#N ZINC000424179227 330318572 /nfs/dbraw/zinc/31/85/72/330318572.db2.gz YLIRHPMOQIRBLU-ZDUSSCGKSA-N 0 3 297.761 2.459 20 30 CEEDHN CC[C@@H](c1ccncc1)N(CC)C(=O)[C@H](N)CCCC#N ZINC000424184561 330320167 /nfs/dbraw/zinc/32/01/67/330320167.db2.gz XXGDDHGGKCTROG-CABCVRRESA-N 0 3 288.395 2.402 20 30 CEEDHN C=CCn1cc(CN[C@H](C)C2CCSCC2)nn1 ZINC000424291512 330334849 /nfs/dbraw/zinc/33/48/49/330334849.db2.gz DOLLCNZYYXYGRP-LLVKDONJSA-N 0 3 266.414 2.085 20 30 CEEDHN COC(C)(C)CN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000533344728 330358413 /nfs/dbraw/zinc/35/84/13/330358413.db2.gz XQOGPRXNSFXRDJ-ZDUSSCGKSA-N 0 3 295.427 2.074 20 30 CEEDHN COc1ccc(CNCC2(CC#N)CC2)cc1[N+](=O)[O-] ZINC000430021315 330557298 /nfs/dbraw/zinc/55/72/98/330557298.db2.gz LKGOHEWURTXSBJ-UHFFFAOYSA-N 0 3 275.308 2.387 20 30 CEEDHN COc1ccc([C@H](CCO)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442772145 330781849 /nfs/dbraw/zinc/78/18/49/330781849.db2.gz ALFUFXMECHYRJR-BJJXKVORSA-N 0 3 274.364 2.401 20 30 CEEDHN CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@H](O)C(F)(F)F ZINC000447580218 330871036 /nfs/dbraw/zinc/87/10/36/330871036.db2.gz NOURRDDUNWLOEK-VLEAKVRGSA-N 0 3 264.291 2.360 20 30 CEEDHN C=CCC1(C(=O)NC2CCN(C)CC2)CCCC1 ZINC000449140145 330901446 /nfs/dbraw/zinc/90/14/46/330901446.db2.gz MLANOFWXTOWUJM-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CC[C@@H](CO)CNCc1ccnn1C1CCCC1 ZINC000449204544 330906010 /nfs/dbraw/zinc/90/60/10/330906010.db2.gz LZJSJAFHBKPDQC-CYBMUJFWSA-N 0 3 263.385 2.272 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cn2cc(C)ccc2n1 ZINC000449548456 330935599 /nfs/dbraw/zinc/93/55/99/330935599.db2.gz NLAHSZLPJJFCIN-CABCVRRESA-N 0 3 271.364 2.466 20 30 CEEDHN C=CCOCCCNC(C)(C)c1nnc2n1CCCC2 ZINC000451400393 331027654 /nfs/dbraw/zinc/02/76/54/331027654.db2.gz AWGCEFSEESFVAO-UHFFFAOYSA-N 0 3 278.400 2.032 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](OCC)[C@@H](C)C1 ZINC000451521198 331032249 /nfs/dbraw/zinc/03/22/49/331032249.db2.gz DBYLFQNDWRRPIH-JYJNAYRXSA-N 0 3 294.439 2.322 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000451595177 331035456 /nfs/dbraw/zinc/03/54/56/331035456.db2.gz CNEASRMATYWGLO-IMJJTQAJSA-N 0 3 288.391 2.139 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(=O)OC)s1 ZINC000451669890 331038199 /nfs/dbraw/zinc/03/81/99/331038199.db2.gz BMGFWYQTLHDTIZ-NEPJUHHUSA-N 0 3 281.377 2.358 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)CCN1CCCCC1 ZINC000451696736 331039432 /nfs/dbraw/zinc/03/94/32/331039432.db2.gz PVSUDZWQDNCLIE-CVEARBPZSA-N 0 3 294.439 2.302 20 30 CEEDHN CC#CCCN1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451879807 331046045 /nfs/dbraw/zinc/04/60/45/331046045.db2.gz LSUFTHAUXCMJAZ-LBPRGKRZSA-N 0 3 262.319 2.216 20 30 CEEDHN N#CCc1ccc(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000451882345 331046076 /nfs/dbraw/zinc/04/60/76/331046076.db2.gz CUGMHCDSAVTRQX-KBPBESRZSA-N 0 3 298.308 2.498 20 30 CEEDHN COc1ccc2c(c1)C[C@@H](NCC1(CC#N)CC1)CO2 ZINC000453206042 331101328 /nfs/dbraw/zinc/10/13/28/331101328.db2.gz DXMMPQATVYUGRN-CYBMUJFWSA-N 0 3 272.348 2.282 20 30 CEEDHN C=CCC[C@H](N[C@@H](C)CC(=O)NC)c1ccco1 ZINC000453354556 331121334 /nfs/dbraw/zinc/12/13/34/331121334.db2.gz HPWQQELIAZFCBS-RYUDHWBXSA-N 0 3 250.342 2.401 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000453372809 331124365 /nfs/dbraw/zinc/12/43/65/331124365.db2.gz VTUBDMPDTBVJGY-MAZHCROVSA-N 0 3 288.391 2.383 20 30 CEEDHN C=CC(C)(C)CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000454670183 331150917 /nfs/dbraw/zinc/15/09/17/331150917.db2.gz SIWINCDTYKOYTM-NWDGAFQWSA-N 0 3 265.401 2.123 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000456054547 331183492 /nfs/dbraw/zinc/18/34/92/331183492.db2.gz UWTLJPWKXMLKDB-IHRRRGAJSA-N 0 3 263.385 2.059 20 30 CEEDHN CO[C@@H](C)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000456130566 331185141 /nfs/dbraw/zinc/18/51/41/331185141.db2.gz COWWSGSERIDBKY-ZFWWWQNUSA-N 0 3 274.364 2.300 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc(CC#N)cc2)C1 ZINC000457099928 331212414 /nfs/dbraw/zinc/21/24/14/331212414.db2.gz WCEPTBNGLMZTDG-INIZCTEOSA-N 0 3 285.391 2.307 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N(CCC)CCN(C)C ZINC000457577135 331227600 /nfs/dbraw/zinc/22/76/00/331227600.db2.gz NEFFAMFHGUZASC-HUUCEWRRSA-N 0 3 282.428 2.158 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000457617190 331229174 /nfs/dbraw/zinc/22/91/74/331229174.db2.gz ZGWGJLMRQPTEKC-KLHDSHLOSA-N 0 3 294.439 2.299 20 30 CEEDHN C[C@H](CNC(=O)N(C)CC(C)(C)C#N)N1CCCC[C@@H]1C ZINC000457706666 331231889 /nfs/dbraw/zinc/23/18/89/331231889.db2.gz MBHZBRRTJBEMRN-UONOGXRCSA-N 0 3 294.443 2.440 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCC(C)(C)CC#N ZINC000457928469 331237858 /nfs/dbraw/zinc/23/78/58/331237858.db2.gz JGECFUJYWOXLRA-KGLIPLIRSA-N 0 3 294.443 2.346 20 30 CEEDHN CC[C@H](C(=O)NCC(C)(C)CC#N)N(CC)CC ZINC000457990813 331239451 /nfs/dbraw/zinc/23/94/51/331239451.db2.gz HXRMRLAXLAVFHD-GFCCVEGCSA-N 0 3 253.390 2.163 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)COCC)CC1 ZINC000458318302 331248428 /nfs/dbraw/zinc/24/84/28/331248428.db2.gz JDQXRYGBMKDLRW-UHFFFAOYSA-N 0 3 297.443 2.141 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H]2C2CC2)CC1 ZINC000458330148 331249027 /nfs/dbraw/zinc/24/90/27/331249027.db2.gz ZHESYCPJCPPXML-OAHLLOKOSA-N 0 3 277.412 2.221 20 30 CEEDHN CN(C)CCNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458803406 331260179 /nfs/dbraw/zinc/26/01/79/331260179.db2.gz REODAQIFRKZVSI-OAHLLOKOSA-N 0 3 288.395 2.282 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000458986368 331264102 /nfs/dbraw/zinc/26/41/02/331264102.db2.gz JZSIWRNLZFRIFS-CHWSQXEVSA-N 0 3 267.417 2.180 20 30 CEEDHN C=C(CC)CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000459077831 331269374 /nfs/dbraw/zinc/26/93/74/331269374.db2.gz BVCSOGRTZSSRMW-CYBMUJFWSA-N 0 3 265.401 2.078 20 30 CEEDHN Cn1cc(CNCC(C)(C)CC#N)c(C(F)F)n1 ZINC000459659898 331292675 /nfs/dbraw/zinc/29/26/75/331292675.db2.gz ADNCNNGMMIHLMU-UHFFFAOYSA-N 0 3 256.300 2.387 20 30 CEEDHN C=CCCCC[C@H](C)N[C@H](CO)c1ccnn1C ZINC000459696538 331294860 /nfs/dbraw/zinc/29/48/60/331294860.db2.gz BHUQKRYATFKZEL-QWHCGFSZSA-N 0 3 251.374 2.178 20 30 CEEDHN C=CCCCS(=O)(=O)N(C)[C@@H]1CCN(CC)[C@@H](C)C1 ZINC000489507151 332057400 /nfs/dbraw/zinc/05/74/00/332057400.db2.gz IBILPBRQZIUBCG-UONOGXRCSA-N 0 3 288.457 2.087 20 30 CEEDHN C#CCN1CCC(C(=O)NC2(C)CCCCC2)CC1 ZINC000490590541 332093866 /nfs/dbraw/zinc/09/38/66/332093866.db2.gz SRKUCIOAEAXBPP-UHFFFAOYSA-N 0 3 262.397 2.171 20 30 CEEDHN C#CCN1CCC(C(=O)NC2CCC(F)(F)CC2)CC1 ZINC000490899958 332127520 /nfs/dbraw/zinc/12/75/20/332127520.db2.gz RUOHGOXFNLMIPY-UHFFFAOYSA-N 0 3 284.350 2.026 20 30 CEEDHN C#C[C@H](NC(=O)/C=C\CN(C)C)c1ccc(Cl)cc1F ZINC000491221523 332168995 /nfs/dbraw/zinc/16/89/95/332168995.db2.gz XKROSIORUPQSPZ-GXMNPTEKSA-N 0 3 294.757 2.387 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000491232031 332171304 /nfs/dbraw/zinc/17/13/04/332171304.db2.gz XLLMGRIUWDXVPP-IBGZPJMESA-N 0 3 298.430 2.253 20 30 CEEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1cccc(F)c1C ZINC000491251743 332174066 /nfs/dbraw/zinc/17/40/66/332174066.db2.gz BTUOSZAZLBHLPD-LLVKDONJSA-N 0 3 262.328 2.416 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCC[C@H]2CC)CC1 ZINC000491296927 332184112 /nfs/dbraw/zinc/18/41/12/332184112.db2.gz NZYXSVPIXJCPPL-ZBFHGGJFSA-N 0 3 276.424 2.274 20 30 CEEDHN C#CC(C)(C)N(C)Cc1ccc(CN2CCOCC2)cc1 ZINC000491304724 332186012 /nfs/dbraw/zinc/18/60/12/332186012.db2.gz GTQZICKDRZHPFQ-UHFFFAOYSA-N 0 3 286.419 2.362 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(c2ccccc2C)CC1 ZINC000491406726 332206409 /nfs/dbraw/zinc/20/64/09/332206409.db2.gz OUGHNRVCERZLDF-UHFFFAOYSA-N 0 3 284.403 2.098 20 30 CEEDHN C#C[C@@H](NC(=O)N[C@@H](C)CN(C)C)c1ccc(Cl)cc1 ZINC000491408008 332206682 /nfs/dbraw/zinc/20/66/82/332206682.db2.gz SXPMGNVXMPEDBF-SMDDNHRTSA-N 0 3 293.798 2.264 20 30 CEEDHN C#CCN(CC[C@@H]1CCNC1=O)[C@H]1CCc2ccccc21 ZINC000491450948 332213300 /nfs/dbraw/zinc/21/33/00/332213300.db2.gz CRGBDUVBXLEVSZ-RDJZCZTQSA-N 0 3 282.387 2.135 20 30 CEEDHN C[C@H](C#N)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000335660087 335096105 /nfs/dbraw/zinc/09/61/05/335096105.db2.gz CUCMQUUZMJAPOP-HUUCEWRRSA-N 0 3 285.391 2.269 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1cc(C)ccc1F ZINC000491622667 332247624 /nfs/dbraw/zinc/24/76/24/332247624.db2.gz FGYGTWBVUHAABC-UHFFFAOYSA-N 0 3 277.343 2.211 20 30 CEEDHN C#C[C@@H](C)N(C)CC[C@H](C(=O)OC)c1ccccc1 ZINC000491644040 332262577 /nfs/dbraw/zinc/26/25/77/332262577.db2.gz IIWQGRPONIBGIA-HIFRSBDPSA-N 0 3 259.349 2.287 20 30 CEEDHN C#C[C@@H](C)N(C)C[C@H](O)COc1ccc(SC)cc1 ZINC000491696869 332292002 /nfs/dbraw/zinc/29/20/02/332292002.db2.gz KCDICVYWLGYCOU-OLZOCXBDSA-N 0 3 279.405 2.102 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCc1ccccc1Cl ZINC000491716406 332306148 /nfs/dbraw/zinc/30/61/48/332306148.db2.gz NFEZPANXVUDJMN-UHFFFAOYSA-N 0 3 293.798 2.094 20 30 CEEDHN C#C[C@H](NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1)C(C)C ZINC000491724786 332309066 /nfs/dbraw/zinc/30/90/66/332309066.db2.gz CJNNUTWRKATAMP-FXUDXRNXSA-N 0 3 291.439 2.016 20 30 CEEDHN C#C[C@@H](CC)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000491732662 332313912 /nfs/dbraw/zinc/31/39/12/332313912.db2.gz ASLSSLNMPDIBRN-GJZGRUSLSA-N 0 3 258.365 2.207 20 30 CEEDHN C#C[C@@H](CC)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000491732668 332314062 /nfs/dbraw/zinc/31/40/62/332314062.db2.gz ASLSSLNMPDIBRN-LSDHHAIUSA-N 0 3 258.365 2.207 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCc2c1cccc2C ZINC000491766198 332334326 /nfs/dbraw/zinc/33/43/26/332334326.db2.gz GPKYBVMKGKCIBN-KRWDZBQOSA-N 0 3 299.418 2.237 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000491784191 332347512 /nfs/dbraw/zinc/34/75/12/332347512.db2.gz SEMMJMISHMRIIW-LSDHHAIUSA-N 0 3 287.407 2.170 20 30 CEEDHN C[C@H](CNC[C@H](C#N)CCC#N)CNC(=O)OC(C)(C)C ZINC000496851429 332562374 /nfs/dbraw/zinc/56/23/74/332562374.db2.gz XZDTURBIHGTATF-OLZOCXBDSA-N 0 3 294.399 2.180 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](CC)CC(C)C ZINC000308010193 333022887 /nfs/dbraw/zinc/02/28/87/333022887.db2.gz FHMLINSSYSIOQP-AWEZNQCLSA-N 0 3 252.402 2.130 20 30 CEEDHN CC(C)(C)OC(=O)[C@@H]1CCN(CCCSCC#N)C1 ZINC000178513620 333074498 /nfs/dbraw/zinc/07/44/98/333074498.db2.gz XMJNIBBNXILLCM-GFCCVEGCSA-N 0 3 284.425 2.297 20 30 CEEDHN CC(C#N)C(=O)NCc1ncc(-c2ccccc2)o1 ZINC000522995816 333303855 /nfs/dbraw/zinc/30/38/55/333303855.db2.gz LHRWWNQKKQNNBV-SNVBAGLBSA-N 0 3 255.277 2.117 20 30 CEEDHN CC(=O)N1CCCN(CCCCC(C)(C)C#N)CC1 ZINC000232597298 333339325 /nfs/dbraw/zinc/33/93/25/333339325.db2.gz KMINYWVYIBESJR-UHFFFAOYSA-N 0 3 265.401 2.261 20 30 CEEDHN C=CC[C@H](CO)CNCc1nc2ccccc2n1CC ZINC000539227889 333662380 /nfs/dbraw/zinc/66/23/80/333662380.db2.gz XJPSKSODSZMJSA-ZDUSSCGKSA-N 0 3 273.380 2.330 20 30 CEEDHN Cc1cccc(OC[C@H](O)CN2CCC(CC#N)CC2)c1 ZINC000541020301 333759282 /nfs/dbraw/zinc/75/92/82/333759282.db2.gz OHJVKULGJIKSQV-MRXNPFEDSA-N 0 3 288.391 2.360 20 30 CEEDHN C=C(CC)CN1CCN(CC(=C)CC)[C@@H](CCO)C1 ZINC000576169985 335164528 /nfs/dbraw/zinc/16/45/28/335164528.db2.gz YXMVBUMXVXRNDK-INIZCTEOSA-N 0 3 266.429 2.287 20 30 CEEDHN C=C(C)COCCNCc1c(C)nn(CC)c1C ZINC000134502084 334092331 /nfs/dbraw/zinc/09/23/31/334092331.db2.gz SLNIFWUUIICKHC-UHFFFAOYSA-N 0 3 251.374 2.202 20 30 CEEDHN C=CCNC(=O)CN[C@@H](c1cccs1)C1CC1 ZINC000341850345 335173233 /nfs/dbraw/zinc/17/32/33/335173233.db2.gz FNYWWDZTXUCWJR-CYBMUJFWSA-N 0 3 250.367 2.091 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000136247303 334150510 /nfs/dbraw/zinc/15/05/10/334150510.db2.gz JLIWHODIFVEFPG-ZFWWWQNUSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)[C@@H]1C ZINC000248372228 334299404 /nfs/dbraw/zinc/29/94/04/334299404.db2.gz ZREZFEZFQBEYIZ-HZSPNIEDSA-N 0 3 277.412 2.448 20 30 CEEDHN C=CCc1cc(CN2CC[C@@H](O)[C@@H](C)C2)cc(OC)c1O ZINC000249768216 334340244 /nfs/dbraw/zinc/34/02/44/334340244.db2.gz BFLYIRCSVSZXDP-SWLSCSKDSA-N 0 3 291.391 2.332 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCCC1)N1CCCCCC1 ZINC000175391590 335182581 /nfs/dbraw/zinc/18/25/81/335182581.db2.gz KBCKGSVFNLUEEZ-ZDUSSCGKSA-N 0 3 263.385 2.203 20 30 CEEDHN N#CCC[C@@H](C#N)CNCC1Cc2ccccc2C1 ZINC000576455689 335205310 /nfs/dbraw/zinc/20/53/10/335205310.db2.gz YXRUQBWJERNPPL-ZDUSSCGKSA-N 0 3 253.349 2.435 20 30 CEEDHN C[C@H](Cn1cccn1)NCc1ccc(CC#N)cc1 ZINC000343539345 335208583 /nfs/dbraw/zinc/20/85/83/335208583.db2.gz UDXXUUXJSPCKKX-CYBMUJFWSA-N 0 3 254.337 2.127 20 30 CEEDHN C=CC[C@@H](CO)CNCc1nc(-c2ccccc2)c[nH]1 ZINC000579433841 335753311 /nfs/dbraw/zinc/75/33/11/335753311.db2.gz YJFCUGQNSNVVCD-CYBMUJFWSA-N 0 3 271.364 2.351 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](CC)[C@@H]1CCCO1 ZINC000182362322 335813452 /nfs/dbraw/zinc/81/34/52/335813452.db2.gz DJRRWFHNLJJGIN-ZNMIVQPWSA-N 0 3 280.412 2.123 20 30 CEEDHN CC[C@H](CO)NCc1cccc(OCCCC#N)c1 ZINC000182693936 335837104 /nfs/dbraw/zinc/83/71/04/335837104.db2.gz KCDLMIHBMKSXDO-CQSZACIVSA-N 0 3 262.353 2.230 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)C(C#N)CCc2ccccc2)CO1 ZINC000581609974 336111938 /nfs/dbraw/zinc/11/19/38/336111938.db2.gz VWOIRDRTLNLMKE-SNPRPXQTSA-N 0 3 272.348 2.053 20 30 CEEDHN Cc1ccc(C2CCN(C(=O)C(C)C#N)CC2)cn1 ZINC000335988689 533738843 /nfs/dbraw/zinc/73/88/43/533738843.db2.gz XUBPGNMQLJJWJS-NSHDSACASA-N 0 3 257.337 2.256 20 30 CEEDHN C[C@@H]1C[C@H](CCNC(=O)NCCN2CCCCC2)CCO1 ZINC000329259460 533831631 /nfs/dbraw/zinc/83/16/31/533831631.db2.gz ANURGYLHZGMIPR-HUUCEWRRSA-N 0 3 297.443 2.181 20 30 CEEDHN COc1ccc(F)cc1[C@@H](C)NC(=O)C(C)C#N ZINC000347072322 533959872 /nfs/dbraw/zinc/95/98/72/533959872.db2.gz PXGTVIMJIWWTEC-RKDXNWHRSA-N 0 3 250.273 2.171 20 30 CEEDHN CCNC(=O)C(C)(C)CN[C@H](C)c1cccc(C#N)c1 ZINC000183205133 521733081 /nfs/dbraw/zinc/73/30/81/521733081.db2.gz AEMYHRRQWGHPEC-GFCCVEGCSA-N 0 3 273.380 2.371 20 30 CEEDHN CC#CCNC(=O)[C@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000344363807 526381071 /nfs/dbraw/zinc/38/10/71/526381071.db2.gz JGQAWROIWCQWGS-WDEREUQCSA-N 0 3 290.329 2.035 20 30 CEEDHN CC#CCNC(=O)[C@H]1CN(C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000344363805 526381178 /nfs/dbraw/zinc/38/11/78/526381178.db2.gz JGQAWROIWCQWGS-QWRGUYRKSA-N 0 3 290.329 2.035 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCCS2)CC1 ZINC000343766467 526435898 /nfs/dbraw/zinc/43/58/98/526435898.db2.gz NHKMDLCDDGTLOH-CQSZACIVSA-N 0 3 297.468 2.222 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@](CO)(CCC)C1 ZINC000344236398 526543474 /nfs/dbraw/zinc/54/34/74/526543474.db2.gz MLKBJCALDVUUHE-DOTOQJQBSA-N 0 3 296.455 2.284 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]c3ncccc23)CC1 ZINC000332261993 526599203 /nfs/dbraw/zinc/59/92/03/526599203.db2.gz DQMNOOJELKGCCY-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCOCCCN1CCCN(c2nccs2)CC1 ZINC000347963562 526752335 /nfs/dbraw/zinc/75/23/35/526752335.db2.gz KBOWRZGQLCCYOM-UHFFFAOYSA-N 0 3 281.425 2.248 20 30 CEEDHN C=CC1CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000336042138 526967748 /nfs/dbraw/zinc/96/77/48/526967748.db2.gz UEIGJOZJLWDZLA-TZMCWYRMSA-N 0 3 265.401 2.077 20 30 CEEDHN C=CC[C@H](CO)CNCc1ccnn1-c1ccc(F)cc1 ZINC000354588913 527185489 /nfs/dbraw/zinc/18/54/89/527185489.db2.gz XYCDTSIKVFEYSB-ZDUSSCGKSA-N 0 3 289.354 2.286 20 30 CEEDHN C=CCCC[C@H](C)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000344471655 527296883 /nfs/dbraw/zinc/29/68/83/527296883.db2.gz WAEOGAWMWDNWKA-SWLSCSKDSA-N 0 3 271.364 2.419 20 30 CEEDHN CC(C)N(Cc1ccc(C#N)c(F)c1)C[C@@H]1CCC(=O)N1 ZINC000412069057 528937729 /nfs/dbraw/zinc/93/77/29/528937729.db2.gz GIWGLGKZYSVUMM-AWEZNQCLSA-N 0 3 289.354 2.186 20 30 CEEDHN CC(C)N1CC[C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000357178458 529083371 /nfs/dbraw/zinc/08/33/71/529083371.db2.gz XKKLOMQWCFZZNK-ZDUSSCGKSA-N 0 3 274.324 2.361 20 30 CEEDHN CC[C@H](C)[C@@H](C)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000158824575 529206551 /nfs/dbraw/zinc/20/65/51/529206551.db2.gz UZYFELSVOYSUPX-QWHCGFSZSA-N 0 3 294.420 2.356 20 30 CEEDHN CCN1CCN(CCCNc2cccc(F)c2C#N)CC1 ZINC000263732616 535698751 /nfs/dbraw/zinc/69/87/51/535698751.db2.gz QCKHOWCAAIDWAF-UHFFFAOYSA-N 0 3 290.386 2.137 20 30 CEEDHN C[C@@H]1CC(N=Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000741451863 574594166 /nfs/dbraw/zinc/59/41/66/574594166.db2.gz XMXPHGQKQXKCSB-SNVBAGLBSA-N 0 3 262.313 2.477 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC000765085455 574612606 /nfs/dbraw/zinc/61/26/06/574612606.db2.gz AISUMJSGGFZDME-HUUCEWRRSA-N 0 3 276.424 2.417 20 30 CEEDHN C#C[C@@H](CC)NC(=O)NC[C@H](C(C)C)N(CC=C)CC=C ZINC000753272232 575323406 /nfs/dbraw/zinc/32/34/06/575323406.db2.gz IEFYESUPCNKFBS-JKSUJKDBSA-N 0 3 291.439 2.396 20 30 CEEDHN Cc1cccc(C2(NCC(=O)NCCC#N)CCCC2)c1 ZINC000733794208 574686782 /nfs/dbraw/zinc/68/67/82/574686782.db2.gz HCISVIYWSXRRBQ-UHFFFAOYSA-N 0 3 285.391 2.384 20 30 CEEDHN C=CC[C@H](NC(=O)NC1CCN(C)CC1)c1ccncc1 ZINC000734653218 574724110 /nfs/dbraw/zinc/72/41/10/574724110.db2.gz CJLVIRRXPYDXPF-HNNXBMFYSA-N 0 3 288.395 2.092 20 30 CEEDHN CC[S@@](=O)CCNCc1cccc(OCCCC#N)c1 ZINC000735085084 574742445 /nfs/dbraw/zinc/74/24/45/574742445.db2.gz VNCAKXVCWSTJSC-HXUWFJFHSA-N 0 3 294.420 2.227 20 30 CEEDHN N#CC(C(=O)C[C@@H]1CCOC1)c1nc2ccccc2[nH]1 ZINC000740528880 574957882 /nfs/dbraw/zinc/95/78/82/574957882.db2.gz ZWGZUARCYSOTSV-QWRGUYRKSA-N 0 3 269.304 2.166 20 30 CEEDHN C#CCCN1CCC(NC(=O)C(CC)CC)CC1 ZINC000740738052 574967049 /nfs/dbraw/zinc/96/70/49/574967049.db2.gz SECLYQWEGFASER-UHFFFAOYSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CCCN1CCC(NC(=O)C2(C)CCCC2)CC1 ZINC000740737473 574967109 /nfs/dbraw/zinc/96/71/09/574967109.db2.gz ONICIPRPKYDTDT-UHFFFAOYSA-N 0 3 262.397 2.171 20 30 CEEDHN C#CCCN1CCC(NC(=O)CCc2ccsc2)CC1 ZINC000740737512 574967153 /nfs/dbraw/zinc/96/71/53/574967153.db2.gz DRFTVQOFHPEFLY-UHFFFAOYSA-N 0 3 290.432 2.285 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2cc(C)ccc2F)CC1 ZINC000740736253 574967203 /nfs/dbraw/zinc/96/72/03/574967203.db2.gz LDVOZOTULMTTQR-UHFFFAOYSA-N 0 3 288.366 2.352 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1 ZINC000740736401 574967216 /nfs/dbraw/zinc/96/72/16/574967216.db2.gz SDQVOIQSNGTZQT-UHFFFAOYSA-N 0 3 295.386 2.385 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000740942880 574971731 /nfs/dbraw/zinc/97/17/31/574971731.db2.gz BTJXVEKIACHLAI-XCBNKYQSSA-N 0 3 287.146 2.303 20 30 CEEDHN C[C@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000741451771 574987375 /nfs/dbraw/zinc/98/73/75/574987375.db2.gz VLTZBZYWVCDXIU-JTQLQIEISA-N 0 3 262.313 2.477 20 30 CEEDHN C[C@@H]1CCCC[C@H]1NC(=S)NN=C1CCN(C)[C@H](C)C1 ZINC000741457532 574987584 /nfs/dbraw/zinc/98/75/84/574987584.db2.gz VZSNCBOKPJJTNK-YRGRVCCFSA-N 0 3 296.484 2.499 20 30 CEEDHN C[C@@H]1CCCN1CCNC(=S)Nc1ccccc1C#N ZINC000743015793 575040323 /nfs/dbraw/zinc/04/03/23/575040323.db2.gz CPZYFCGBAJMDMW-GFCCVEGCSA-N 0 3 288.420 2.329 20 30 CEEDHN CC(C)CN(CCC#N)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000746174409 575150854 /nfs/dbraw/zinc/15/08/54/575150854.db2.gz OAGZHNCUGSTJFY-OKILXGFUSA-N 0 3 265.401 2.257 20 30 CEEDHN CC(C)[C@H]1CN(C)CCN1Cc1ccc(OCC#N)cc1 ZINC000746461714 575156632 /nfs/dbraw/zinc/15/66/32/575156632.db2.gz FSYHKCBUCXCOHM-QGZVFWFLSA-N 0 3 287.407 2.361 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](C)c1nc2ccccc2o1 ZINC000746641931 575161656 /nfs/dbraw/zinc/16/16/56/575161656.db2.gz DGQXCRHLVCSPTG-VHSXEESVSA-N 0 3 257.293 2.207 20 30 CEEDHN C=C(Cl)CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000749241272 575210916 /nfs/dbraw/zinc/21/09/16/575210916.db2.gz LUFQOFSMSGYRCX-GFCCVEGCSA-N 0 3 256.777 2.262 20 30 CEEDHN Cc1cccnc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000750683653 575272119 /nfs/dbraw/zinc/27/21/19/575272119.db2.gz HXWCDHPEYZEMPQ-ZDUSSCGKSA-N 0 3 279.299 2.351 20 30 CEEDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCCC1=Nn1cnnc1 ZINC000753691675 575335347 /nfs/dbraw/zinc/33/53/47/575335347.db2.gz LWRFEFRIGPPJQB-NSHDSACASA-N 0 3 285.307 2.433 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)C1CC(F)(F)C1 ZINC000753797201 575342531 /nfs/dbraw/zinc/34/25/31/575342531.db2.gz CWZWPWOFDZXMOF-JTQLQIEISA-N 0 3 272.295 2.047 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC000981896415 613005184 /nfs/dbraw/zinc/00/51/84/613005184.db2.gz OBUZQBFKYTYLBH-CVEARBPZSA-N 0 3 276.424 2.370 20 30 CEEDHN C[C@@H]([NH2+]CCCCC#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824585338 608487543 /nfs/dbraw/zinc/48/75/43/608487543.db2.gz QBYXAVYFYWZQTA-LLVKDONJSA-N 0 3 270.340 2.211 20 30 CEEDHN C[C@@H]([NH2+]CCCCC#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824585338 608487544 /nfs/dbraw/zinc/48/75/44/608487544.db2.gz QBYXAVYFYWZQTA-LLVKDONJSA-N 0 3 270.340 2.211 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C2CC(c3ccccc3)C2)C1 ZINC000970848807 612960144 /nfs/dbraw/zinc/96/01/44/612960144.db2.gz GMWIPCAMTUXCFP-OFLPRAFFSA-N 0 3 282.387 2.004 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000970824671 612963234 /nfs/dbraw/zinc/96/32/34/612963234.db2.gz PXZBPPBETNIIMR-UONOGXRCSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC000968857532 612965419 /nfs/dbraw/zinc/96/54/19/612965419.db2.gz BMXPZUOJDUQBOS-QGZVFWFLSA-N 0 3 282.387 2.391 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(CCC)cc2)C1 ZINC000969761531 612965529 /nfs/dbraw/zinc/96/55/29/612965529.db2.gz ANZFZZZTDSOHRZ-MRXNPFEDSA-N 0 3 270.376 2.076 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccccc2OC2CCC2)C1 ZINC000969892663 612966458 /nfs/dbraw/zinc/96/64/58/612966458.db2.gz DSPJXLHRJJOWKP-CQSZACIVSA-N 0 3 298.386 2.055 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000970203556 612996605 /nfs/dbraw/zinc/99/66/05/612996605.db2.gz BBGJIIGVTHSVEQ-NXNVCVFFSA-N 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CEEDHN Cc1noc2ncc(CNCC3(CC#N)CC3)cc12 ZINC000894642731 629571687 /nfs/dbraw/zinc/57/16/87/629571687.db2.gz AXTZJQVTSJHFAX-UHFFFAOYSA-N 0 3 256.309 2.315 20 30 CEEDHN C#CCNC(=O)CN1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000796433542 629901928 /nfs/dbraw/zinc/90/19/28/629901928.db2.gz FYMRAZQWICATMF-HOCLYGCPSA-N 0 3 270.376 2.209 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000796632089 629948651 /nfs/dbraw/zinc/94/86/51/629948651.db2.gz VYDZBWRIJRCLPW-LSDHHAIUSA-N 0 3 297.358 2.307 20 30 CEEDHN O=C1[C@H]([NH2+]C2CCC(=C3CCC3)CC2)CCCN1[O-] ZINC000895158374 629975881 /nfs/dbraw/zinc/97/58/81/629975881.db2.gz ZGMMIUHGAUPBLA-CQSZACIVSA-N 0 3 264.369 2.379 20 30 CEEDHN CCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN([O-])C1=O ZINC000895160291 629977259 /nfs/dbraw/zinc/97/72/59/629977259.db2.gz LYIZLUYMDKPJGI-UPJWGTAASA-N 0 3 254.374 2.315 20 30 CEEDHN O=C1[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCCN1[O-] ZINC000895159794 629977776 /nfs/dbraw/zinc/97/77/76/629977776.db2.gz IFNBWERXZBFFKS-QLFBSQMISA-N 0 3 274.364 2.293 20 30 CEEDHN CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895162067 629980682 /nfs/dbraw/zinc/98/06/82/629980682.db2.gz WBEHVTFHNXLZSY-LSDHHAIUSA-N 0 3 276.380 2.368 20 30 CEEDHN C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895161572 629980809 /nfs/dbraw/zinc/98/08/09/629980809.db2.gz HEQFTBQOFIDFQZ-SGMGOOAPSA-N 0 3 262.353 2.148 20 30 CEEDHN C[C@@H](C[NH2+][C@H]1CCCN([O-])C1=O)c1cccc(Cl)c1 ZINC000895162406 629981841 /nfs/dbraw/zinc/98/18/41/629981841.db2.gz YVSXHNAWCDGUPO-GWCFXTLKSA-N 0 3 282.771 2.413 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1coc2ccccc12 ZINC000796792928 630008622 /nfs/dbraw/zinc/00/86/22/630008622.db2.gz NBJNSJGEKCPYAM-CYBMUJFWSA-N 0 3 284.315 2.209 20 30 CEEDHN C#CC1(O)CCN(Cc2ccc(F)c3cccnc23)CC1 ZINC000895382316 630152710 /nfs/dbraw/zinc/15/27/10/630152710.db2.gz CTFYCPQQDXVMDJ-UHFFFAOYSA-N 0 3 284.334 2.334 20 30 CEEDHN C#CC1(O)CCN(Cc2ccc(OC(C)C)cc2)CC1 ZINC000895381074 630152838 /nfs/dbraw/zinc/15/28/38/630152838.db2.gz XZGCJVRMIRQGRS-UHFFFAOYSA-N 0 3 273.376 2.434 20 30 CEEDHN C#CC1(O)CCN(CCc2cccc(Cl)c2)CC1 ZINC000895384025 630155520 /nfs/dbraw/zinc/15/55/20/630155520.db2.gz GBSRLDFSGOMHLZ-UHFFFAOYSA-N 0 3 263.768 2.343 20 30 CEEDHN C#CC1(O)CCN(Cc2cc(C)nc3c2CCCC3)CC1 ZINC000895539222 630241070 /nfs/dbraw/zinc/24/10/70/630241070.db2.gz UYUAADYDCYQMSA-UHFFFAOYSA-N 0 3 284.403 2.229 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1N[C@@H]1CCN(C)[C@H]1C ZINC000895735370 630325786 /nfs/dbraw/zinc/32/57/86/630325786.db2.gz FBGNNYNSLHVIKL-IINYFYTJSA-N 0 3 257.337 2.265 20 30 CEEDHN C(#Cc1ccccc1)CNC[C@@H]1CC2(CO1)CCOCC2 ZINC000895832547 630370084 /nfs/dbraw/zinc/37/00/84/630370084.db2.gz YSNVQAMDIUVXKL-KRWDZBQOSA-N 0 3 285.387 2.213 20 30 CEEDHN C#C[C@H]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCCN3C)CC1 ZINC000896325909 630528027 /nfs/dbraw/zinc/52/80/27/630528027.db2.gz ZYMWTVVLBGAQJZ-KLHDSHLOSA-N 0 3 289.423 2.057 20 30 CEEDHN C#Cc1cncc(-c2noc(C3CCN(C4CC4)CC3)n2)c1 ZINC000896564011 630599294 /nfs/dbraw/zinc/59/92/94/630599294.db2.gz PFFATIRIXCCDNH-UHFFFAOYSA-N 0 3 294.358 2.455 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c([O-])cccc1OC ZINC000797878546 630771427 /nfs/dbraw/zinc/77/14/27/630771427.db2.gz ZDDJPVWMSSPSOK-LRDDRELGSA-N 0 3 277.364 2.472 20 30 CEEDHN C#C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C(C)C ZINC000798544333 630888388 /nfs/dbraw/zinc/88/83/88/630888388.db2.gz KPLGZDURRYGBRO-GVDBMIGSSA-N 0 3 299.418 2.389 20 30 CEEDHN Cc1ccc(C(=O)N[C@H](C)CN2CCCCC2)cc1C#N ZINC000799555416 631043724 /nfs/dbraw/zinc/04/37/24/631043724.db2.gz FDSZYCJFUFZCGW-CQSZACIVSA-N 0 3 285.391 2.471 20 30 CEEDHN C=CCn1cccc1C(=O)N1CCC(N(C)CCF)CC1 ZINC000985472481 631098890 /nfs/dbraw/zinc/09/88/90/631098890.db2.gz NSKNFUAGOBPTHL-UHFFFAOYSA-N 0 3 293.386 2.180 20 30 CEEDHN C=C(C)CN1CCC(NC(=S)NC2(C)CCC2)CC1 ZINC000840727025 631183592 /nfs/dbraw/zinc/18/35/92/631183592.db2.gz PBOMDXNMYHPFGY-UHFFFAOYSA-N 0 3 281.469 2.434 20 30 CEEDHN CC#CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000801160395 631228032 /nfs/dbraw/zinc/22/80/32/631228032.db2.gz CAKSQGMCZGGVJZ-SWLSCSKDSA-N 0 3 276.405 2.271 20 30 CEEDHN N#Cc1ccccc1COC(=O)C1CCN(C2CC2)CC1 ZINC000801873470 631345733 /nfs/dbraw/zinc/34/57/33/631345733.db2.gz SWMBULHTPJFLFH-UHFFFAOYSA-N 0 3 284.359 2.476 20 30 CEEDHN C[C@H](C#N)OCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000801918242 631355214 /nfs/dbraw/zinc/35/52/14/631355214.db2.gz HJRHNOFCXADCID-CQSZACIVSA-N 0 3 299.374 2.330 20 30 CEEDHN COc1cc(CN(CCO[C@@H](C)C#N)C2CC2)ccc1O ZINC000801936826 631361543 /nfs/dbraw/zinc/36/15/43/631361543.db2.gz ZKMGOKIGGZFYRV-LBPRGKRZSA-N 0 3 290.363 2.294 20 30 CEEDHN CC(C)n1cc([C@@H](C)NCCO[C@H](C)C#N)cn1 ZINC000801940614 631365849 /nfs/dbraw/zinc/36/58/49/631365849.db2.gz CTABZONXUPZSOW-VXGBXAGGSA-N 0 3 250.346 2.043 20 30 CEEDHN C[C@H](C#N)OCCN1CC2(CCCC2)OC(C)(C)C1 ZINC000801946405 631366395 /nfs/dbraw/zinc/36/63/95/631366395.db2.gz IDSHGMDESFACGG-CYBMUJFWSA-N 0 3 266.385 2.339 20 30 CEEDHN CCC(=O)N1C[C@@H](NCc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000987657607 631440446 /nfs/dbraw/zinc/44/04/46/631440446.db2.gz QNLUZXUXVOTRGU-FZMZJTMJSA-N 0 3 289.354 2.186 20 30 CEEDHN C=CCN1CCN(CN2CC[C@H](CC(C)C)C2)C1=O ZINC000840018101 631627511 /nfs/dbraw/zinc/62/75/11/631627511.db2.gz KFVAHBGEVYJCGV-CQSZACIVSA-N 0 3 265.401 2.236 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc3scnc32)C1 ZINC000988839668 631699906 /nfs/dbraw/zinc/69/99/06/631699906.db2.gz UZFCZJYSJUCPEO-NWDGAFQWSA-N 0 3 299.399 2.122 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc3scnc32)C1 ZINC000988839672 631700153 /nfs/dbraw/zinc/70/01/53/631700153.db2.gz UZFCZJYSJUCPEO-VXGBXAGGSA-N 0 3 299.399 2.122 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2oc(C(F)F)cc2C)C1 ZINC000988991478 631714477 /nfs/dbraw/zinc/71/44/77/631714477.db2.gz WELBHNFBNCSUFF-GHMZBOCLSA-N 0 3 296.317 2.351 20 30 CEEDHN C=CCN1CCN(CN(C)[C@@H]2CCC(C)(C)C2)C1=O ZINC000840059166 631730865 /nfs/dbraw/zinc/73/08/65/631730865.db2.gz BYKYFWUJPULBMI-CYBMUJFWSA-N 0 3 265.401 2.378 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)cc2F)C1 ZINC000989139594 631734411 /nfs/dbraw/zinc/73/44/11/631734411.db2.gz WOZMBJZPKNESAJ-PWSUYJOCSA-N 0 3 294.757 2.305 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2cc3ccccn3n2)CC1 ZINC000806649505 631761856 /nfs/dbraw/zinc/76/18/56/631761856.db2.gz HPXODXDSSVPYON-UHFFFAOYSA-N 0 3 299.378 2.106 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)CCN1C ZINC000925311067 631770983 /nfs/dbraw/zinc/77/09/83/631770983.db2.gz CJAHPGVZEVBOEA-RNCFNFMXSA-N 0 3 292.770 2.426 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3ccccc3n2C)C1 ZINC000989380061 631802661 /nfs/dbraw/zinc/80/26/61/631802661.db2.gz AJUCKQRULOQCNQ-HIFRSBDPSA-N 0 3 295.386 2.004 20 30 CEEDHN C=C(C)COc1cc(CN2C[C@H](O)[C@@H](C)C2)ccc1OC ZINC000897684453 631869449 /nfs/dbraw/zinc/86/94/49/631869449.db2.gz PJAVNXFXAMGMTR-ZFWWWQNUSA-N 0 3 291.391 2.463 20 30 CEEDHN C=CCOc1ccccc1CN(CC)CCC(=O)NC ZINC000897710576 631882386 /nfs/dbraw/zinc/88/23/86/631882386.db2.gz XJDSKGWCQIHTFD-UHFFFAOYSA-N 0 3 276.380 2.209 20 30 CEEDHN CN(CCO)c1ccc(C=NNCC2CCCC2)cc1 ZINC000808007258 631906146 /nfs/dbraw/zinc/90/61/46/631906146.db2.gz XFDPUZBPUOFVAC-UHFFFAOYSA-N 0 3 275.396 2.229 20 30 CEEDHN C#C[C@@H](NC(=O)NC[C@H]1CCCCN1C1CC1)C(C)(C)C ZINC000808297000 631947283 /nfs/dbraw/zinc/94/72/83/631947283.db2.gz UIQYNHYTHHQXAU-HUUCEWRRSA-N 0 3 291.439 2.350 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(F)ccc2Cl)C1 ZINC000989481343 632184623 /nfs/dbraw/zinc/18/46/23/632184623.db2.gz PXLIRVNFEVFNHE-PWSUYJOCSA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(F)ccc2Cl)C1 ZINC000989481341 632185043 /nfs/dbraw/zinc/18/50/43/632185043.db2.gz PXLIRVNFEVFNHE-CMPLNLGQSA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccoc2CCC)C1 ZINC000989677758 632221950 /nfs/dbraw/zinc/22/19/50/632221950.db2.gz ZCTJXUUHNYGCTN-QWHCGFSZSA-N 0 3 274.364 2.058 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)C1(CCF)CC1 ZINC000810528905 632223186 /nfs/dbraw/zinc/22/31/86/632223186.db2.gz YGQUCEDHVDNJJI-NSHDSACASA-N 0 3 268.332 2.141 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000989698813 632226117 /nfs/dbraw/zinc/22/61/17/632226117.db2.gz BGJLOMBVXJXHPE-YHUYYLMFSA-N 0 3 276.424 2.415 20 30 CEEDHN C#CCCN1CCCN(C(=O)CCc2ccc(C)o2)CC1 ZINC000989732370 632231521 /nfs/dbraw/zinc/23/15/21/632231521.db2.gz PRMSZKOXAHJGDN-UHFFFAOYSA-N 0 3 288.391 2.078 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(F)F)o2)C1 ZINC000989734187 632232136 /nfs/dbraw/zinc/23/21/36/632232136.db2.gz QWRLPSDOURSETM-VHSXEESVSA-N 0 3 282.290 2.043 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc(C)c2C)C1 ZINC000989741337 632235271 /nfs/dbraw/zinc/23/52/71/632235271.db2.gz BNSKTNUOKBZXAL-UKRRQHHQSA-N 0 3 270.376 2.129 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3c(s2)CCC3)C1 ZINC000989754807 632239165 /nfs/dbraw/zinc/23/91/65/632239165.db2.gz AUJKWRMZIIILDW-WCQYABFASA-N 0 3 288.416 2.063 20 30 CEEDHN CCC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000989833939 632248208 /nfs/dbraw/zinc/24/82/08/632248208.db2.gz JBBQAUNEGSLGNI-UHFFFAOYSA-N 0 3 271.364 2.049 20 30 CEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cc(C)on3)CCC[C@H]12 ZINC000989921940 632280087 /nfs/dbraw/zinc/28/00/87/632280087.db2.gz LKQHQHZZLFELKY-GOEBONIOSA-N 0 3 289.379 2.286 20 30 CEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3ncoc3C)CCC[C@@H]12 ZINC000989987997 632299007 /nfs/dbraw/zinc/29/90/07/632299007.db2.gz NNGWRKJFFQIWQC-CJNGLKHVSA-N 0 3 289.379 2.286 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccnc(F)c3)CCC[C@@H]12 ZINC000990016905 632302456 /nfs/dbraw/zinc/30/24/56/632302456.db2.gz PKJSUHDAFHBDRE-CJNGLKHVSA-N 0 3 289.354 2.134 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccncc3F)CCC[C@H]12 ZINC000990097952 632313645 /nfs/dbraw/zinc/31/36/45/632313645.db2.gz WJSFLWXHOQYAFN-GOEBONIOSA-N 0 3 289.354 2.134 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)C3CC(OCC)C3)CCC[C@@H]12 ZINC000990453633 632363233 /nfs/dbraw/zinc/36/32/33/632363233.db2.gz KUMQFEDTFWGPNP-BOXZVXIZSA-N 0 3 292.423 2.101 20 30 CEEDHN CC[C@@H](O)CN=NC1CN(Cc2ccccc2)C(C)(C)C1 ZINC000811658482 632417714 /nfs/dbraw/zinc/41/77/14/632417714.db2.gz YXIYKJPNFABDIC-MRXNPFEDSA-N 0 3 289.423 2.387 20 30 CEEDHN C#CCOc1ccccc1CN(CC)[C@@H]1CCOC1 ZINC000812780324 632576955 /nfs/dbraw/zinc/57/69/55/632576955.db2.gz AEOWMTOEMXQZOM-OAHLLOKOSA-N 0 3 259.349 2.309 20 30 CEEDHN CCN(CC#CCOC)[C@H](C)[C@H](O)c1ccccc1 ZINC000812853027 632594815 /nfs/dbraw/zinc/59/48/15/632594815.db2.gz MTTZFSUMJFEGSS-ZBFHGGJFSA-N 0 3 261.365 2.080 20 30 CEEDHN CC[C@H](C#N)OC(=O)C1CCCN(c2ccccc2)C1=O ZINC000814611271 632869251 /nfs/dbraw/zinc/86/92/51/632869251.db2.gz JSMBXPPEUVUMBU-ZIAGYGMSSA-N 0 3 286.331 2.275 20 30 CEEDHN C#CCOc1ccc(CN2C[C@@H](C)N(C)[C@@H](C)C2)cc1 ZINC000816653283 633457702 /nfs/dbraw/zinc/45/77/02/633457702.db2.gz MRSISZYUFNJQIJ-GASCZTMLSA-N 0 3 272.392 2.223 20 30 CEEDHN C=CCC(F)(F)C(=O)NC[C@@H]1CCCN1CCC ZINC000816654428 633457888 /nfs/dbraw/zinc/45/78/88/633457888.db2.gz HTYQOKFVUOCCRS-NSHDSACASA-N 0 3 260.328 2.188 20 30 CEEDHN C#CCC1(C(=O)N2CC[C@H]3CN(C)C[C@H]32)CCCCC1 ZINC000816953756 633568699 /nfs/dbraw/zinc/56/86/99/633568699.db2.gz NELUXBUWLVABSX-LSDHHAIUSA-N 0 3 274.408 2.123 20 30 CEEDHN CCC(=NN[C@@H]1CCC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000817335002 633632234 /nfs/dbraw/zinc/63/22/34/633632234.db2.gz UXPFCPLXBDFUDN-HZPDHXFCSA-N 0 3 275.396 2.370 20 30 CEEDHN CCc1ccc(C#CC(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000817679457 633718851 /nfs/dbraw/zinc/71/88/51/633718851.db2.gz SVVXLGCRQDSXAO-QGZVFWFLSA-N 0 3 284.403 2.153 20 30 CEEDHN N#C[C@H](NC(=O)c1ccc(NC2=NCCC2)cc1)C1CC1 ZINC000900638723 633789997 /nfs/dbraw/zinc/78/99/97/633789997.db2.gz PQZDSDXWIXLJLQ-AWEZNQCLSA-N 0 3 282.347 2.323 20 30 CEEDHN CC(C)Oc1cccc(CNC(=O)[C@H](N)CCCC#N)c1 ZINC000818056368 633850911 /nfs/dbraw/zinc/85/09/11/633850911.db2.gz DOTJQJHIYLMXPT-OAHLLOKOSA-N 0 3 289.379 2.111 20 30 CEEDHN Cc1cc(C(C#N)C(=O)C=C[C@H]2CCCO2)nc(C)n1 ZINC000819941329 634292036 /nfs/dbraw/zinc/29/20/36/634292036.db2.gz KETMLUIVCWCLAA-PBJSTTKNSA-N 0 3 271.320 2.005 20 30 CEEDHN C#C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccc(F)cc1 ZINC000819997662 634309951 /nfs/dbraw/zinc/30/99/51/634309951.db2.gz MRNABXAQLUQGAU-CVEARBPZSA-N 0 3 288.366 2.489 20 30 CEEDHN CCC(CC)[C@H](O)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902799756 634839144 /nfs/dbraw/zinc/83/91/44/634839144.db2.gz GUJZNIUWXCDTFN-IAQYHMDHSA-N 0 3 261.369 2.401 20 30 CEEDHN C[C@H](NC[C@]1(O)CCc2ccccc21)c1cc(C#N)ccn1 ZINC000902887192 634879838 /nfs/dbraw/zinc/87/98/38/634879838.db2.gz ZRBCQWKEAJXLKY-SCLBCKFNSA-N 0 3 293.370 2.438 20 30 CEEDHN C[C@H](N[C@H](CO)Cc1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000902890785 634881343 /nfs/dbraw/zinc/88/13/43/634881343.db2.gz GWYJWUALQVODQL-LRDDRELGSA-N 0 3 299.349 2.347 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000822503264 634932173 /nfs/dbraw/zinc/93/21/73/634932173.db2.gz DSTAWYBMLCBIRJ-MRXNPFEDSA-N 0 3 266.348 2.097 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000822503795 634933073 /nfs/dbraw/zinc/93/30/73/634933073.db2.gz LNJOHFQAIQWLKJ-MRXNPFEDSA-N 0 3 296.374 2.127 20 30 CEEDHN CC[C@H](N[C@H]1C[C@H](S(C)(=O)=O)C1)c1cccc(C#N)c1 ZINC000903092571 634975186 /nfs/dbraw/zinc/97/51/86/634975186.db2.gz BUIAFRDIFBLALP-KKUMJFAQSA-N 0 3 292.404 2.175 20 30 CEEDHN C=CC[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823888709 635301555 /nfs/dbraw/zinc/30/15/55/635301555.db2.gz UMSLMCFHCDKOQT-QWRGUYRKSA-N 0 3 257.341 2.482 20 30 CEEDHN C=CC[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823888709 635301560 /nfs/dbraw/zinc/30/15/60/635301560.db2.gz UMSLMCFHCDKOQT-QWRGUYRKSA-N 0 3 257.341 2.482 20 30 CEEDHN Cc1ccc([C@@H](CNC(=O)C#CC(C)C)N(C)C)cc1 ZINC000824244708 635386710 /nfs/dbraw/zinc/38/67/10/635386710.db2.gz KRUPMFGQNIFEPE-MRXNPFEDSA-N 0 3 272.392 2.373 20 30 CEEDHN C[C@@H](NC1CCC(C)(C#N)CC1)c1nnnn1C1CC1 ZINC000824282352 635395297 /nfs/dbraw/zinc/39/52/97/635395297.db2.gz VCUUUXRDVXOZLZ-CDWSIMAYSA-N 0 3 274.372 2.131 20 30 CEEDHN CC(C)CN(CCN(C)C)C(=O)C#Cc1cccs1 ZINC000825721822 635702301 /nfs/dbraw/zinc/70/23/01/635702301.db2.gz PXARZSNNVSRDAA-UHFFFAOYSA-N 0 3 278.421 2.146 20 30 CEEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CCN2C)c([O-])c1 ZINC000905003907 635774819 /nfs/dbraw/zinc/77/48/19/635774819.db2.gz XYFGHVPUJNLWOU-ZCQLHAAUSA-N 0 3 275.396 2.361 20 30 CEEDHN COc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1C ZINC000905079595 635796457 /nfs/dbraw/zinc/79/64/57/635796457.db2.gz CIZJYWQESAVPSF-CEXMDJMXSA-N 0 3 269.304 2.436 20 30 CEEDHN COc1ccc(/C=C2\C(=O)c3ncnn3C2C)c(OC)c1 ZINC000905079911 635796643 /nfs/dbraw/zinc/79/66/43/635796643.db2.gz HADGBEOODZFOQM-TXEUWIOXSA-N 0 3 285.303 2.136 20 30 CEEDHN COc1ccc(/C=C2/C(=O)c3ncnn3C2C)c(C)c1OC ZINC000905083190 635798522 /nfs/dbraw/zinc/79/85/22/635798522.db2.gz CNAIKKVLFAVPCF-QVIVLVACSA-N 0 3 299.330 2.445 20 30 CEEDHN COc1cc(C)cc(/C=C2\C(=O)c3ncnn3C2C)c1OC ZINC000905084624 635799451 /nfs/dbraw/zinc/79/94/51/635799451.db2.gz JIYQLAJBNNMDJK-VPMLRQHESA-N 0 3 299.330 2.445 20 30 CEEDHN C#Cc1ccc(CNC[C@@](O)(CC)C(F)(F)F)cc1 ZINC000905274780 636202945 /nfs/dbraw/zinc/20/29/45/636202945.db2.gz RVKLYSVTRIHRCU-ZDUSSCGKSA-N 0 3 271.282 2.461 20 30 CEEDHN N#CC1(CNC[C@H](O)CC2(CO)CCCC2)CCCCC1 ZINC000905383283 636241609 /nfs/dbraw/zinc/24/16/09/636241609.db2.gz HWDIRSWARNYJID-OAHLLOKOSA-N 0 3 294.439 2.354 20 30 CEEDHN CSc1ccc(CNC[C@@H](O)c2ccccn2)cc1C#N ZINC000905465605 636295050 /nfs/dbraw/zinc/29/50/50/636295050.db2.gz RDMGLQFGOLRQFJ-OAHLLOKOSA-N 0 3 299.399 2.498 20 30 CEEDHN CSc1ccc(CNC[C@@](C)(O)C(F)F)cc1C#N ZINC000905465217 636295209 /nfs/dbraw/zinc/29/52/09/636295209.db2.gz NDLNEQVXUKBKGR-CYBMUJFWSA-N 0 3 286.347 2.386 20 30 CEEDHN Cc1ccc(CNC[C@@H](O)c2ccccn2)cc1C#N ZINC000905581021 636340322 /nfs/dbraw/zinc/34/03/22/636340322.db2.gz RULYJNYXLLMXGR-MRXNPFEDSA-N 0 3 267.332 2.085 20 30 CEEDHN Cc1ccc(C#N)cc1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000828958782 636736775 /nfs/dbraw/zinc/73/67/75/636736775.db2.gz JBHORIKGXBOWBY-HZPDHXFCSA-N 0 3 283.375 2.175 20 30 CEEDHN C[C@H](C#N)OCCN1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000830296097 637029155 /nfs/dbraw/zinc/02/91/55/637029155.db2.gz KLSJVKNFGRMJOV-CYBMUJFWSA-N 0 3 296.411 2.359 20 30 CEEDHN C#CC1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000830304945 637031177 /nfs/dbraw/zinc/03/11/77/637031177.db2.gz CQXLMGGKEPPDNA-OKILXGFUSA-N 0 3 262.397 2.121 20 30 CEEDHN C#CC1CCN([C@H](C)C(=O)N(CC)CC(=C)C)CC1 ZINC000830316414 637033831 /nfs/dbraw/zinc/03/38/31/637033831.db2.gz QYZITEVDVMNNKE-CQSZACIVSA-N 0 3 262.397 2.145 20 30 CEEDHN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1CC(=O)NCCC#N ZINC000830440950 637072001 /nfs/dbraw/zinc/07/20/01/637072001.db2.gz YSOXZLFNNAEYKM-YCPHGPKFSA-N 0 3 285.391 2.283 20 30 CEEDHN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1CC(=O)NCCC#N ZINC000830440949 637072052 /nfs/dbraw/zinc/07/20/52/637072052.db2.gz YSOXZLFNNAEYKM-IJEWVQPXSA-N 0 3 285.391 2.283 20 30 CEEDHN C=CCN(CCC#N)C(=O)C(C)(C)N1CCCCC1 ZINC000908342333 637303969 /nfs/dbraw/zinc/30/39/69/637303969.db2.gz JCJSJNBXSLOFSS-UHFFFAOYSA-N 0 3 263.385 2.179 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1cccc(OC)c1 ZINC000876552002 650321803 /nfs/dbraw/zinc/32/18/03/650321803.db2.gz GJQOXWMPZYMIPV-ZDUSSCGKSA-N 0 3 282.771 2.124 20 30 CEEDHN C=C(CC[NH+](C)C)C(=O)Nc1c([O-])cccc1Cl ZINC000908412883 637335108 /nfs/dbraw/zinc/33/51/08/637335108.db2.gz IEHWSMVHGUNJBJ-UHFFFAOYSA-N 0 3 268.744 2.492 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(OC)c(Cl)c1 ZINC000831683063 637409720 /nfs/dbraw/zinc/40/97/20/637409720.db2.gz JWWQMHGSQHJKBK-NEPJUHHUSA-N 0 3 268.744 2.177 20 30 CEEDHN COC(=O)C1(C#N)CCN(CCC2CCCC2)CC1 ZINC000831691568 637410771 /nfs/dbraw/zinc/41/07/71/637410771.db2.gz RDNGUJSDJXGEOB-UHFFFAOYSA-N 0 3 264.369 2.345 20 30 CEEDHN CCN(CCOC)Cc1cc(C#N)ccc1N(C)C ZINC000876569081 650334591 /nfs/dbraw/zinc/33/45/91/650334591.db2.gz ONSLADONNVUXRW-UHFFFAOYSA-N 0 3 261.369 2.093 20 30 CEEDHN Cc1ccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1C#N ZINC000831798522 637437184 /nfs/dbraw/zinc/43/71/84/637437184.db2.gz NQAHTBCJNMIGPQ-KBPBESRZSA-N 0 3 285.391 2.356 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(COC)c1 ZINC000876591962 650349110 /nfs/dbraw/zinc/34/91/10/650349110.db2.gz MOKAJCFOMXZPCG-LBPRGKRZSA-N 0 3 268.744 2.241 20 30 CEEDHN CCCCCCCC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000833565294 637736334 /nfs/dbraw/zinc/73/63/34/637736334.db2.gz BSPUVZIBJNWJFD-HNNXBMFYSA-N 0 3 284.444 2.310 20 30 CEEDHN C#CCN1CCC(C(=O)NCCC[C@@H]2C=CCC2)CC1 ZINC000834333751 637782894 /nfs/dbraw/zinc/78/28/94/637782894.db2.gz CIYGUPNCEBUJTR-OAHLLOKOSA-N 0 3 274.408 2.194 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)Oc2ccccc21 ZINC000876657433 650381198 /nfs/dbraw/zinc/38/11/98/650381198.db2.gz NKXBZKMPHDRVQB-QWRGUYRKSA-N 0 3 280.755 2.270 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@](C)(CC)C1 ZINC000876666405 650388531 /nfs/dbraw/zinc/38/85/31/650388531.db2.gz QVFIFNVREDONIE-WCQYABFASA-N 0 3 258.793 2.495 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000876666430 650388576 /nfs/dbraw/zinc/38/85/76/650388576.db2.gz RGOAIVNISNEJSF-JTQLQIEISA-N 0 3 282.775 2.189 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[C@H](SC)C1 ZINC000876672935 650392770 /nfs/dbraw/zinc/39/27/70/650392770.db2.gz SKDXKQJZRZBRCA-DCAQKATOSA-N 0 3 276.833 2.247 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCC3(F)F)CCC[C@@H]12 ZINC000991301171 638237440 /nfs/dbraw/zinc/23/74/40/638237440.db2.gz PYYDBLDGWIDBFA-OUCADQQQSA-N 0 3 284.350 2.331 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000876698678 650404803 /nfs/dbraw/zinc/40/48/03/650404803.db2.gz LSMUHINAUWKNOS-WDMOLILDSA-N 0 3 288.819 2.118 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000911202037 638258519 /nfs/dbraw/zinc/25/85/19/638258519.db2.gz TZYRMZFFWYWDAV-OCUYMYNFSA-N 0 3 289.423 2.259 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)N(C)c1ccccc1 ZINC000876723343 650410499 /nfs/dbraw/zinc/41/04/99/650410499.db2.gz UAUPKJLWMQILEK-OCCSQVGLSA-N 0 3 295.814 2.097 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N(C)CCOc1ccccc1 ZINC000911997773 638511907 /nfs/dbraw/zinc/51/19/07/638511907.db2.gz DMSSFDIUCXIEAX-OAHLLOKOSA-N 0 3 276.380 2.207 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCCC1CCCCC1 ZINC000836237347 638582368 /nfs/dbraw/zinc/58/23/68/638582368.db2.gz BBJBGTOACKVARW-UHFFFAOYSA-N 0 3 279.428 2.211 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCCC(C)(C)C1CC1 ZINC000836491234 638648980 /nfs/dbraw/zinc/64/89/80/638648980.db2.gz LQHVFXCCCRGISS-UHFFFAOYSA-N 0 3 279.428 2.067 20 30 CEEDHN Cc1cc(C(=O)N[C@]2(C)CN3CCC2CC3)cc(C)c1C#N ZINC000912374152 638672776 /nfs/dbraw/zinc/67/27/76/638672776.db2.gz KXXJYFHUYCEYSS-GOSISDBHSA-N 0 3 297.402 2.389 20 30 CEEDHN CCc1ccc(C#CC(=O)N[C@@]2(C)CN3CCC2CC3)cc1 ZINC000912374704 638673333 /nfs/dbraw/zinc/67/33/33/638673333.db2.gz QMXUMBNSFWHNHZ-IBGZPJMESA-N 0 3 296.414 2.201 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC)CCc1ccccn1 ZINC000876846355 650457325 /nfs/dbraw/zinc/45/73/25/650457325.db2.gz BFJRBZXMSKCBTI-CQSZACIVSA-N 0 3 295.814 2.333 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000876880024 650470405 /nfs/dbraw/zinc/47/04/05/650470405.db2.gz YGZRJSUTBYJXFL-SKDRFNHKSA-N 0 3 298.770 2.048 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2ccc(F)cc2C1 ZINC000876880704 650470430 /nfs/dbraw/zinc/47/04/30/650470430.db2.gz MRWYTTCVHRKYNN-CYBMUJFWSA-N 0 3 282.746 2.180 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)c1nc(C)cs1 ZINC000876885510 650473998 /nfs/dbraw/zinc/47/39/98/650473998.db2.gz YROLYRWWGBSLNB-GMSGAONNSA-N 0 3 287.816 2.141 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)C#CC(C)(C)C ZINC000837346368 639196925 /nfs/dbraw/zinc/19/69/25/639196925.db2.gz WZSQGSYXXUTVPY-CYBMUJFWSA-N 0 3 250.386 2.027 20 30 CEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)(C)C ZINC000837458745 639239080 /nfs/dbraw/zinc/23/90/80/639239080.db2.gz JZBUARSFRLANLT-KGLIPLIRSA-N 0 3 262.397 2.121 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CN1Cc1ccccc1 ZINC000837464572 639240712 /nfs/dbraw/zinc/24/07/12/639240712.db2.gz JKECHKNVUMVUCZ-WMLDXEAASA-N 0 3 282.387 2.179 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc(Cl)cn1 ZINC000876906533 650481442 /nfs/dbraw/zinc/48/14/42/650481442.db2.gz BKBKGLMAHPYPGJ-SCZZXKLOSA-N 0 3 288.178 2.382 20 30 CEEDHN C=C(C)COCCNC[C@H](O)c1c(F)cccc1F ZINC000163793993 639329416 /nfs/dbraw/zinc/32/94/16/639329416.db2.gz UHWMJIJJZBJBLQ-ZDUSSCGKSA-N 0 3 271.307 2.181 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000876937632 650495547 /nfs/dbraw/zinc/49/55/47/650495547.db2.gz YIJYDGDALYVPAJ-KBPBESRZSA-N 0 3 294.782 2.136 20 30 CEEDHN CCC(=NN(C)C[C@@H](C)O)c1ccc(N(C)C)cc1 ZINC000841651236 639821138 /nfs/dbraw/zinc/82/11/38/639821138.db2.gz NRTJLXHXMJSZGN-GFCCVEGCSA-N 0 3 263.385 2.179 20 30 CEEDHN C=CC[C@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccncc1 ZINC000841824734 639872165 /nfs/dbraw/zinc/87/21/65/639872165.db2.gz HFCUWYMQTCHTRS-IPYPFGDCSA-N 0 3 288.395 2.091 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)C[C@@H]3C[C@H]3C3CC3)CCC[C@H]12 ZINC000991935402 639877728 /nfs/dbraw/zinc/87/77/28/639877728.db2.gz RBPXGTRBMIOEIB-OVWQWFNUSA-N 0 3 286.419 2.169 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C[C@H]3CC=CCC3)CCC[C@H]12 ZINC000992121234 639966370 /nfs/dbraw/zinc/96/63/70/639966370.db2.gz SNXZLCOKQODMHG-XYJFISCASA-N 0 3 286.419 2.479 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cccc3cccnc32)C1 ZINC001015123245 640022515 /nfs/dbraw/zinc/02/25/15/640022515.db2.gz LBEGOALAPUVDJJ-OAHLLOKOSA-N 0 3 293.370 2.062 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3C3CC3)CCC[C@@H]12 ZINC000992314684 640023593 /nfs/dbraw/zinc/02/35/93/640023593.db2.gz GCCKTYMIJACCKS-HWMZRRJGSA-N 0 3 274.408 2.332 20 30 CEEDHN C[C@H](O)CC(C)(C)CNCc1cc(C#N)cnc1Cl ZINC000877054850 650550944 /nfs/dbraw/zinc/55/09/44/650550944.db2.gz MAOIREQWUQIUHG-JTQLQIEISA-N 0 3 281.787 2.493 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3ccccc3C)CCC[C@@H]12 ZINC000992467028 640098099 /nfs/dbraw/zinc/09/80/99/640098099.db2.gz UDEDAZCVLCIENQ-MJGOQNOKSA-N 0 3 296.414 2.284 20 30 CEEDHN C#CCN(C(=O)NCc1ccc(C)cc1)C1CCN(C)CC1 ZINC000913857544 640143628 /nfs/dbraw/zinc/14/36/28/640143628.db2.gz LLEOKZCIRDFCJM-UHFFFAOYSA-N 0 3 299.418 2.234 20 30 CEEDHN C[C@@H](NCc1cc(C#N)cnc1Cl)[C@H]1CCOC1 ZINC000877065044 650556670 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ZINC000859090036 645356969 /nfs/dbraw/zinc/35/69/69/645356969.db2.gz NMPAQCYBFOZPSY-SJLPKXTDSA-N 0 3 299.414 2.275 20 30 CEEDHN C#CCCOC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000859107749 645365750 /nfs/dbraw/zinc/36/57/50/645365750.db2.gz BZDFHWWWGXZIBR-ZBFHGGJFSA-N 0 3 286.375 2.256 20 30 CEEDHN COCC#CCN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000762926877 645481131 /nfs/dbraw/zinc/48/11/31/645481131.db2.gz XBCJPRKZXBZLCU-MRXNPFEDSA-N 0 3 289.375 2.023 20 30 CEEDHN CN(Cc1cccc(O)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763414654 645544168 /nfs/dbraw/zinc/54/41/68/645544168.db2.gz YCJCRHIBAMQWFB-KRWDZBQOSA-N 0 3 282.343 2.429 20 30 CEEDHN C[C@H]1CN(C)CC1N=Nc1ncnc2ccsc21 ZINC000764839360 645697843 /nfs/dbraw/zinc/69/78/43/645697843.db2.gz BKJGWGOXNJUSKK-QMMMGPOBSA-N 0 3 261.354 2.041 20 30 CEEDHN C#CCC(C)(C)C(=O)NC[C@H](C)N1CCCCC1 ZINC000767057924 645950095 /nfs/dbraw/zinc/95/00/95/645950095.db2.gz QWPQWKAYPYVROT-ZDUSSCGKSA-N 0 3 250.386 2.027 20 30 CEEDHN C=C(C)C(C)(C)C(=O)OC[C@]1(C)C[C@@H](OC)CN1C 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ZINC000772644392 646653714 /nfs/dbraw/zinc/65/37/14/646653714.db2.gz HSTLKVJYFXURTO-AWEZNQCLSA-N 0 3 282.299 2.478 20 30 CEEDHN OCCN1CCC(N=Nc2cccc(F)c2Cl)CC1 ZINC000863158599 646656385 /nfs/dbraw/zinc/65/63/85/646656385.db2.gz IRIJROBSEWVOBG-UHFFFAOYSA-N 0 3 285.750 2.335 20 30 CEEDHN Cc1cc([N-][NH+]=Cc2ccc(N3CCCC3)nc2)ccn1 ZINC000863159299 646658384 /nfs/dbraw/zinc/65/83/84/646658384.db2.gz KRXPHPQTWMFJGY-UHFFFAOYSA-N 0 3 281.363 2.253 20 30 CEEDHN Cc1cc(N=NC2CCCN3CCCC[C@@H]23)ccn1 ZINC000863160851 646660109 /nfs/dbraw/zinc/66/01/09/646660109.db2.gz SNPMXZORDSCSSB-HNNXBMFYSA-N 0 3 258.369 2.228 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)COC1(C)CCC1 ZINC000772970195 646690524 /nfs/dbraw/zinc/69/05/24/646690524.db2.gz AUIPBYKFXHPLMN-CYBMUJFWSA-N 0 3 294.395 2.351 20 30 CEEDHN CO[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)C(F)(F)F ZINC000774292842 646829691 /nfs/dbraw/zinc/82/96/91/646829691.db2.gz MLUGKLBDYJDDCV-OPRDCNLKSA-N 0 3 250.264 2.236 20 30 CEEDHN C#CCN(Cc1ccccc1)C(=O)CN(C)C1CCC1 ZINC000863915476 646848646 /nfs/dbraw/zinc/84/86/46/646848646.db2.gz CHENEOFKTSNCCN-UHFFFAOYSA-N 0 3 270.376 2.133 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774484094 646853080 /nfs/dbraw/zinc/85/30/80/646853080.db2.gz RWBPMTWILGVHEK-CHWSQXEVSA-N 0 3 275.396 2.094 20 30 CEEDHN Cc1ccccc1[C@@H](NCC(=O)NCCC#N)C(C)C ZINC000775409519 646951854 /nfs/dbraw/zinc/95/18/54/646951854.db2.gz ZUALJZDUUQWNFZ-INIZCTEOSA-N 0 3 273.380 2.312 20 30 CEEDHN CCc1ccc(C(C)(C)NCC(=O)NCCC#N)cc1 ZINC000775464780 646957137 /nfs/dbraw/zinc/95/71/37/646957137.db2.gz KWWNEEJKBJOYSU-UHFFFAOYSA-N 0 3 273.380 2.104 20 30 CEEDHN CC(C)C[C@H](C)OCCC(=O)C(C#N)C(=O)NC(C)C ZINC000120082248 647035780 /nfs/dbraw/zinc/03/57/80/647035780.db2.gz PRAAWPHZWMTTHJ-STQMWFEESA-N 0 3 282.384 2.061 20 30 CEEDHN CC1(C)C(=Nn2cnnc2)C[C@H]1OCc1ccccc1 ZINC000776756846 647087982 /nfs/dbraw/zinc/08/79/82/647087982.db2.gz DELIMFZNDHENBJ-CQSZACIVSA-N 0 3 270.336 2.498 20 30 CEEDHN C[C@H](CNC(=O)c1coc(C#N)c1)N1CCCC[C@@H]1C ZINC000864871577 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C=CCN1CC[C@H]2CCN(C(=O)c3ccc(Cl)[nH]3)C[C@H]21 ZINC001042225638 803568506 /nfs/dbraw/zinc/56/85/06/803568506.db2.gz XWKGRKNBQHIQSV-WCQYABFASA-N 0 3 293.798 2.391 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)/C=C/c2ccco2)C1 ZINC001267609907 803613696 /nfs/dbraw/zinc/61/36/96/803613696.db2.gz ZOAZYRLXCWNBSD-HSBSLETESA-N 0 3 274.364 2.450 20 30 CEEDHN CC[C@H](CN1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1)OC ZINC001267614935 803619551 /nfs/dbraw/zinc/61/95/51/803619551.db2.gz VEVBIOJYQCAIQE-HUUCEWRRSA-N 0 3 294.439 2.042 20 30 CEEDHN C=CCCC(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001267738423 803689361 /nfs/dbraw/zinc/68/93/61/803689361.db2.gz YZSZDIYOZPFXGY-CYBMUJFWSA-N 0 3 278.421 2.447 20 30 CEEDHN N#Cc1csc(CN[C@H]2CCCC23OCCO3)c1 ZINC000715594682 814975848 /nfs/dbraw/zinc/97/58/48/814975848.db2.gz IVEVLRNIMUXTCK-LBPRGKRZSA-N 0 3 264.350 2.005 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CNCc2nccs2)C1 ZINC001026994764 803934710 /nfs/dbraw/zinc/93/47/10/803934710.db2.gz XWCFDAYOPJOCJL-LBPRGKRZSA-N 0 3 293.436 2.293 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001027426036 804070342 /nfs/dbraw/zinc/07/03/42/804070342.db2.gz PNXCDQVTPKBHIV-NVXWUHKLSA-N 0 3 274.408 2.289 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2(C3CC3)CCC2)C1 ZINC001027508966 804097578 /nfs/dbraw/zinc/09/75/78/804097578.db2.gz ODSSHZJRLOQMJC-HNNXBMFYSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2(C)CCCC2)C1 ZINC001027511916 804098487 /nfs/dbraw/zinc/09/84/87/804098487.db2.gz GZAXWZYHMUTAPP-AWEZNQCLSA-N 0 3 262.397 2.123 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(F)c2F)C1 ZINC001027546179 804116375 /nfs/dbraw/zinc/11/63/75/804116375.db2.gz MUBWPPARKKBIJR-GFCCVEGCSA-N 0 3 292.329 2.134 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@@H](C)c2cccnc2)C1 ZINC001027601743 804147121 /nfs/dbraw/zinc/14/71/21/804147121.db2.gz HKQZRLUKQABHKI-WBVHZDCISA-N 0 3 299.418 2.131 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1csnc1C ZINC001027834877 804285551 /nfs/dbraw/zinc/28/55/51/804285551.db2.gz IMIAVGZDOXBCKI-GFCCVEGCSA-N 0 3 279.409 2.222 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1c(C)coc1C ZINC001027864095 804305862 /nfs/dbraw/zinc/30/58/62/804305862.db2.gz WAICBVRCHSUORN-AWEZNQCLSA-N 0 3 274.364 2.114 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001027982440 804378568 /nfs/dbraw/zinc/37/85/68/804378568.db2.gz QTNCRTCEUNAGCS-OAHLLOKOSA-N 0 3 287.407 2.469 20 30 CEEDHN CC#CCCCC(=O)N(C)[C@H](C)CNCc1cncs1 ZINC001268080891 804386126 /nfs/dbraw/zinc/38/61/26/804386126.db2.gz LAUQNDQIYOYTAX-CYBMUJFWSA-N 0 3 293.436 2.273 20 30 CEEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccncc1 ZINC000136879887 804467805 /nfs/dbraw/zinc/46/78/05/804467805.db2.gz RLHVOYABHCLGGQ-SWLSCSKDSA-N 0 3 299.374 2.343 20 30 CEEDHN C[C@@H](NC(=O)C(C)(F)F)[C@H](C)NCC#Cc1ccccc1 ZINC001282086350 804489738 /nfs/dbraw/zinc/48/97/38/804489738.db2.gz NBHDHHUGCKFNEI-QWHCGFSZSA-N 0 3 294.345 2.176 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001028170070 804509404 /nfs/dbraw/zinc/50/94/04/804509404.db2.gz KKSHPURHZYUIHJ-KBPBESRZSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001028193879 804527492 /nfs/dbraw/zinc/52/74/92/804527492.db2.gz HTUSQKXVVGGWGA-SOUVJXGZSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(OC)c(C)c1 ZINC001028199390 804536985 /nfs/dbraw/zinc/53/69/85/804536985.db2.gz CFQYPLLZPLAAAS-OAHLLOKOSA-N 0 3 288.391 2.384 20 30 CEEDHN C#CCCCC(=O)NCCNCc1cccc(Cl)c1 ZINC001126335675 804566697 /nfs/dbraw/zinc/56/66/97/804566697.db2.gz ZYGOHXOAYFSTBQ-UHFFFAOYSA-N 0 3 278.783 2.349 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H](C)C3CCC3)C2)C1 ZINC001041399689 804568410 /nfs/dbraw/zinc/56/84/10/804568410.db2.gz QDYDUOHTGYCTMI-YJBOKZPZSA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(C)CCN1CCC[C@@H]1CNC(=O)c1nccs1 ZINC001028223015 804580797 /nfs/dbraw/zinc/58/07/97/804580797.db2.gz XKBWSEGXAIVCQO-GFCCVEGCSA-N 0 3 279.409 2.304 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)CCc1cccs1 ZINC001268257558 804580915 /nfs/dbraw/zinc/58/09/15/804580915.db2.gz YFMZVBRFUFRDTO-UHFFFAOYSA-N 0 3 266.410 2.257 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc2nccnc21 ZINC001028224706 804585859 /nfs/dbraw/zinc/58/58/59/804585859.db2.gz JUCWANOSHPYCCO-CYBMUJFWSA-N 0 3 296.374 2.010 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccccc1OC ZINC001028277650 804656950 /nfs/dbraw/zinc/65/69/50/804656950.db2.gz ZQYCQOMOZPTLHY-CQSZACIVSA-N 0 3 288.391 2.466 20 30 CEEDHN C#CCNCCN(CC)C(=O)CC1CCCCC1 ZINC001268433713 804669388 /nfs/dbraw/zinc/66/93/88/804669388.db2.gz QIWGEOZRUVVURA-UHFFFAOYSA-N 0 3 250.386 2.028 20 30 CEEDHN C#CCNC/C=C/CNC(=O)c1ccc(C2CC2)cc1 ZINC001268626957 804895599 /nfs/dbraw/zinc/89/55/99/804895599.db2.gz FCMZIELTCQDISY-ONEGZZNKSA-N 0 3 268.360 2.073 20 30 CEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)CC(C)(C)C ZINC001268721906 804943453 /nfs/dbraw/zinc/94/34/53/804943453.db2.gz IWWMKECDWAKRSX-ZDUSSCGKSA-N 0 3 270.417 2.062 20 30 CEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001268740181 804954295 /nfs/dbraw/zinc/95/42/95/804954295.db2.gz RZTAGAIFKDBATN-STQMWFEESA-N 0 3 288.391 2.246 20 30 CEEDHN C=C(C)CCC(=O)N[C@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001269029848 805029430 /nfs/dbraw/zinc/02/94/30/805029430.db2.gz POLLHRZSFKFPBA-LSDHHAIUSA-N 0 3 280.412 2.102 20 30 CEEDHN C=C(Cc1ccccc1)C(=O)N1CCC2(CN(C)C2)CC1 ZINC001269092676 805044649 /nfs/dbraw/zinc/04/46/49/805044649.db2.gz DUDODVSDBVEDNR-UHFFFAOYSA-N 0 3 284.403 2.340 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)CC(C)(C)C2CC2)C1 ZINC001269126350 805056558 /nfs/dbraw/zinc/05/65/58/805056558.db2.gz IXHZRTBDSZVHQP-CQSZACIVSA-N 0 3 262.397 2.027 20 30 CEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1c[nH]nc1CCC ZINC001269254987 805101307 /nfs/dbraw/zinc/10/13/07/805101307.db2.gz JOKNMDIPDNDOIF-CYBMUJFWSA-N 0 3 290.411 2.133 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](CCC)OCC)C1 ZINC001269268617 805105950 /nfs/dbraw/zinc/10/59/50/805105950.db2.gz OIFGYGSESQHSJX-LSDHHAIUSA-N 0 3 282.428 2.300 20 30 CEEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001269278817 805110225 /nfs/dbraw/zinc/11/02/25/805110225.db2.gz PRIMWWDYYQHQEE-CBBWQLFWSA-N 0 3 262.397 2.189 20 30 CEEDHN C=C1CC(C)(C(=O)NC[C@H]2CCN2CC[C@@H]2CCCO2)C1 ZINC001269293102 805117243 /nfs/dbraw/zinc/11/72/43/805117243.db2.gz VGYNYRNARWCEIU-CABCVRRESA-N 0 3 292.423 2.102 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)Cc2ccoc2)C1 ZINC001269324802 805130329 /nfs/dbraw/zinc/13/03/29/805130329.db2.gz PVFDFAATBLLTOY-OAHLLOKOSA-N 0 3 276.380 2.321 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001028719815 805162139 /nfs/dbraw/zinc/16/21/39/805162139.db2.gz KMQLYNLDDOFFKB-CQSZACIVSA-N 0 3 295.386 2.161 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OCC ZINC001269580101 805205260 /nfs/dbraw/zinc/20/52/60/805205260.db2.gz RZCSITOZMKWRLC-ZNMIVQPWSA-N 0 3 280.412 2.053 20 30 CEEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)CC ZINC001269592406 805207347 /nfs/dbraw/zinc/20/73/47/805207347.db2.gz ATIFXEGADRLTAA-ILXRZTDVSA-N 0 3 298.402 2.002 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2ccn(C(C)C)c2C)C1 ZINC001028755485 805209051 /nfs/dbraw/zinc/20/90/51/805209051.db2.gz OIIFEZLMJXJSDY-OAHLLOKOSA-N 0 3 287.407 2.062 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)C2CCC(F)(F)CC2)C1 ZINC001028829030 805285837 /nfs/dbraw/zinc/28/58/37/805285837.db2.gz PGOWDXVHPZHUQN-CYBMUJFWSA-N 0 3 298.377 2.273 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2cccc(C(C)C)c2)C1 ZINC001028912779 805353925 /nfs/dbraw/zinc/35/39/25/805353925.db2.gz MPZFGBYNYDYOIN-HNNXBMFYSA-N 0 3 284.403 2.495 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2cccc(Cl)c2)C1 ZINC001028947957 805377725 /nfs/dbraw/zinc/37/77/25/805377725.db2.gz BPPARJZQKWNUEN-GFCCVEGCSA-N 0 3 276.767 2.025 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc(CC)cc2)C1 ZINC001028965475 805390932 /nfs/dbraw/zinc/39/09/32/805390932.db2.gz HQRPHHLPVRRKSZ-INIZCTEOSA-N 0 3 284.403 2.324 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc[nH]c3CC)[C@@H]2C1 ZINC001075756383 805444871 /nfs/dbraw/zinc/44/48/71/805444871.db2.gz ZLUZUMBZUGHRRI-XJKSGUPXSA-N 0 3 287.407 2.300 20 30 CEEDHN C=CCCC(=O)N1C[C@@H](CNCc2nccs2)[C@H](C)C1 ZINC001105926863 807160364 /nfs/dbraw/zinc/16/03/64/807160364.db2.gz LEMGLGXHNAWWQK-CHWSQXEVSA-N 0 3 293.436 2.293 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2ocnc2C2CC2)[C@H]1C ZINC001088856607 807217435 /nfs/dbraw/zinc/21/74/35/807217435.db2.gz XNOQXPIJOXEFPB-YPMHNXCESA-N 0 3 289.379 2.321 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](F)c2ccccc2)[C@H]1C ZINC001088886458 807262711 /nfs/dbraw/zinc/26/27/11/807262711.db2.gz QZWRDQVPWUCREX-VNQPRFMTSA-N 0 3 288.366 2.300 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CC23CCCC3)[C@H]1C ZINC001088957715 807294391 /nfs/dbraw/zinc/29/43/91/807294391.db2.gz SFPIDCROTACIBX-MCIONIFRSA-N 0 3 262.397 2.332 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)[C@H]1C ZINC001088967800 807298094 /nfs/dbraw/zinc/29/80/94/807298094.db2.gz UKYIDWRSWVOTPD-OLZOCXBDSA-N 0 3 290.411 2.220 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@H]1C ZINC001089068882 807329193 /nfs/dbraw/zinc/32/91/93/807329193.db2.gz ABNJPMFRGVOPRW-FFNDWZFNSA-N 0 3 274.408 2.044 20 30 CEEDHN CC(=O)N1CCCC[C@H]1CN(C)Cc1cccc(C#N)c1 ZINC001089090225 807335410 /nfs/dbraw/zinc/33/54/10/807335410.db2.gz PSGWABOEDHZWLG-KRWDZBQOSA-N 0 3 285.391 2.391 20 30 CEEDHN C#CCNC1(CNC(=O)c2ccoc2CCC)CCC1 ZINC001280534441 807468227 /nfs/dbraw/zinc/46/82/27/807468227.db2.gz XHZZJCUHJJYPNQ-UHFFFAOYSA-N 0 3 274.364 2.107 20 30 CEEDHN CC#CCNCCNC(=O)C[C@@H](C)Cc1cccc(F)c1 ZINC001127267486 807588303 /nfs/dbraw/zinc/58/83/03/807588303.db2.gz XEFJRYZCTYOLKN-AWEZNQCLSA-N 0 3 290.382 2.124 20 30 CEEDHN CC(C)C[C@H]([NH2+][C@H](C)Cc1cccc(F)c1)C(=O)N[O-] ZINC001168474464 807694026 /nfs/dbraw/zinc/69/40/26/807694026.db2.gz MFFLBJPZUGXIHH-RISCZKNCSA-N 0 3 282.359 2.266 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2CC=CCC2)s1 ZINC001123380870 807887650 /nfs/dbraw/zinc/88/76/50/807887650.db2.gz GRPPJXNTSHRNNR-LBPRGKRZSA-N 0 3 289.404 2.182 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1c[nH]c2ccccc12 ZINC000130568378 807966941 /nfs/dbraw/zinc/96/69/41/807966941.db2.gz IPZLUOQMQNNYSG-AWEZNQCLSA-N 0 3 297.358 2.334 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccnc(C)c2)CC(C)(C)C1 ZINC001089522310 808017622 /nfs/dbraw/zinc/01/76/22/808017622.db2.gz WGROGLCPJLZTSV-INIZCTEOSA-N 0 3 299.418 2.244 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CCOCC1 ZINC001089600531 808068241 /nfs/dbraw/zinc/06/82/41/808068241.db2.gz GDIJWVHMVQFAII-OAHLLOKOSA-N 0 3 294.439 2.206 20 30 CEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccn[nH]1 ZINC001089612343 808070809 /nfs/dbraw/zinc/07/08/09/808070809.db2.gz YBHWRXPQLDVXHI-ZDUSSCGKSA-N 0 3 290.411 2.206 20 30 CEEDHN C#CCCN1CC(CNC(=O)c2cc(F)ccc2CC)C1 ZINC001031814118 808152654 /nfs/dbraw/zinc/15/26/54/808152654.db2.gz QBOYSNYOBUWMHW-UHFFFAOYSA-N 0 3 288.366 2.073 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2cc3cnccc3o2)C1 ZINC001031817134 808153608 /nfs/dbraw/zinc/15/36/08/808153608.db2.gz QNNUSBCPKPXOGU-UHFFFAOYSA-N 0 3 285.347 2.066 20 30 CEEDHN C#CCCN1CC(CNC(=O)c2cc(C)sc2C)C1 ZINC001031821981 808156766 /nfs/dbraw/zinc/15/67/66/808156766.db2.gz JHAIEKSUQCRITF-UHFFFAOYSA-N 0 3 276.405 2.050 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2cc(F)c(F)cc2F)C1 ZINC001031936997 808208227 /nfs/dbraw/zinc/20/82/27/808208227.db2.gz RYJXSJDXIPFGAA-UHFFFAOYSA-N 0 3 298.308 2.342 20 30 CEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C[C@H](C)SC ZINC001272731030 808279179 /nfs/dbraw/zinc/27/91/79/808279179.db2.gz XLKDOVMMNHEVNJ-QWRGUYRKSA-N 0 3 278.849 2.365 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)c1 ZINC001032262896 808373038 /nfs/dbraw/zinc/37/30/38/808373038.db2.gz LBOIXZPJENYPHH-HOTGVXAUSA-N 0 3 270.376 2.470 20 30 CEEDHN CCCCCCCCS(=O)(=O)N1CC[C@@H](F)[C@@H](N)C1 ZINC001239097150 808511596 /nfs/dbraw/zinc/51/15/96/808511596.db2.gz FEPRFZPNPSFFRD-OLZOCXBDSA-N 0 3 294.436 2.048 20 30 CEEDHN CCC(=O)N1CC[C@H]([C@H](C)NCc2ccccc2C#N)C1 ZINC001047660845 808530343 /nfs/dbraw/zinc/53/03/43/808530343.db2.gz BWFQWVCPOLRFGX-BBRMVZONSA-N 0 3 285.391 2.295 20 30 CEEDHN C=CCN1CCC2(CCN(Cc3ccc(C)[nH]3)CC2)C1=O ZINC001272762816 808622393 /nfs/dbraw/zinc/62/23/93/808622393.db2.gz CMSGRZXTNKNWID-UHFFFAOYSA-N 0 3 287.407 2.324 20 30 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ZINC001016563180 810452847 /nfs/dbraw/zinc/45/28/47/810452847.db2.gz DGSZHHDUFYORAF-HNNXBMFYSA-N 0 3 272.392 2.091 20 30 CEEDHN C#C[C@](C)(CC)NC[C@@H](O)c1c(F)cccc1F ZINC000384129874 810466267 /nfs/dbraw/zinc/46/62/67/810466267.db2.gz CAWHRXQUWSNDSB-TZMCWYRMSA-N 0 3 253.292 2.390 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)n1c2c(sc1=N)CNCC2 ZINC001172320198 815371220 /nfs/dbraw/zinc/37/12/20/815371220.db2.gz UEIINQDMRCGQOC-LLVKDONJSA-N 0 3 298.415 2.350 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ncccc3CC)[C@@H]2C1 ZINC001084471321 810471835 /nfs/dbraw/zinc/47/18/35/810471835.db2.gz VVDPWPMDLHIVRY-HZPDHXFCSA-N 0 3 299.418 2.366 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(C)cc2)CC1 ZINC001016942129 810478086 /nfs/dbraw/zinc/47/80/86/810478086.db2.gz AICFPTLEZSTJAW-MRXNPFEDSA-N 0 3 282.387 2.213 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001084574093 810478590 /nfs/dbraw/zinc/47/85/90/810478590.db2.gz QDMRBCWCFKDENU-ZIAGYGMSSA-N 0 3 282.403 2.481 20 30 CEEDHN CC(=O)N1CCC[C@H](CN(C)Cc2ccc(C#N)s2)C1 ZINC001017004463 810483421 /nfs/dbraw/zinc/48/34/21/810483421.db2.gz GSACHYHVMANWCB-CYBMUJFWSA-N 0 3 291.420 2.310 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C3(CC)CCC3)[C@@H]2C1 ZINC001084592626 810484501 /nfs/dbraw/zinc/48/45/01/810484501.db2.gz ZXNOQUKTXDWRCR-HUUCEWRRSA-N 0 3 274.408 2.123 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccoc1 ZINC001017499384 810528075 /nfs/dbraw/zinc/52/80/75/810528075.db2.gz IYPGLJPALFZCOP-IYBDPMFKSA-N 0 3 288.391 2.464 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C[C@H]3C=CCC3)C[C@@H]21 ZINC001084886404 810537687 /nfs/dbraw/zinc/53/76/87/810537687.db2.gz HRPIDRYPJNTHHD-BBWFWOEESA-N 0 3 286.419 2.289 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC001122026310 815378579 /nfs/dbraw/zinc/37/85/79/815378579.db2.gz AZURJTALOUSLJL-BXUZGUMPSA-N 0 3 292.379 2.262 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)COCC1CC1 ZINC001098933083 810560232 /nfs/dbraw/zinc/56/02/32/810560232.db2.gz REHYLCHPXGOCAS-OAHLLOKOSA-N 0 3 294.439 2.206 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)CC3CC3)C2)s1 ZINC001018399720 810609919 /nfs/dbraw/zinc/60/99/19/810609919.db2.gz LHLJZNXUYPKNQF-LBPRGKRZSA-N 0 3 289.404 2.110 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCC1CC1 ZINC001231359833 810626758 /nfs/dbraw/zinc/62/67/58/810626758.db2.gz PULZYFOMQLPUMM-AWEZNQCLSA-N 0 3 250.386 2.285 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001019145016 810680168 /nfs/dbraw/zinc/68/01/68/810680168.db2.gz UJPUHMVXKHDKMW-DLBZAZTESA-N 0 3 282.387 2.004 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC[C@H](NCc3cccnc3)C2)C1 ZINC001019353727 810703260 /nfs/dbraw/zinc/70/32/60/810703260.db2.gz YKAHYVFDLBXETR-HNNXBMFYSA-N 0 3 285.391 2.128 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001019358734 810703727 /nfs/dbraw/zinc/70/37/27/810703727.db2.gz OLHQVRMNZWOSFE-CJNGLKHVSA-N 0 3 288.366 2.143 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@]2(c3ccccc3)CC2(C)C)C1 ZINC001019554919 810718788 /nfs/dbraw/zinc/71/87/88/810718788.db2.gz 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/nfs/dbraw/zinc/77/05/10/810770510.db2.gz CFRZJGMCLLMEJV-JOCQHMNTSA-N 0 3 268.788 2.476 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H](C2CCOCC2)C1 ZINC001122251226 815396372 /nfs/dbraw/zinc/39/63/72/815396372.db2.gz ZBAHOWVLNRDXJT-CVEARBPZSA-N 0 3 294.439 2.335 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001020280994 810784891 /nfs/dbraw/zinc/78/48/91/810784891.db2.gz HHSWQZXMLUDQIA-DRZSPHRISA-N 0 3 270.804 2.412 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnc2ccccn12 ZINC001038439729 810840692 /nfs/dbraw/zinc/84/06/92/810840692.db2.gz SILMDXIXLAINQQ-AWEZNQCLSA-N 0 3 298.390 2.105 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cccn2nccc12 ZINC001038453839 810841727 /nfs/dbraw/zinc/84/17/27/810841727.db2.gz KAGQAYLIIHHHNK-AWEZNQCLSA-N 0 3 298.390 2.105 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCN2CCCC)cc1 ZINC001038581318 810868151 /nfs/dbraw/zinc/86/81/51/810868151.db2.gz HPEHTRPMAHXEEI-MRXNPFEDSA-N 0 3 270.376 2.272 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccn2nccc12 ZINC001085696180 810877914 /nfs/dbraw/zinc/87/79/14/810877914.db2.gz CFMUMBVPIAHMNG-CQSZACIVSA-N 0 3 298.390 2.057 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ncc2ccccn21 ZINC001085722129 810893244 /nfs/dbraw/zinc/89/32/44/810893244.db2.gz OZYQAYFZWUFSMV-HNNXBMFYSA-N 0 3 298.390 2.057 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001038727716 810898219 /nfs/dbraw/zinc/89/82/19/810898219.db2.gz QSQQOAAZLWETOH-MGPQQGTHSA-N 0 3 274.364 2.150 20 30 CEEDHN C=CCCCN(CC)C(=O)[C@]1(N)C[C@@H](OCC)C1(C)C ZINC001122403960 815408802 /nfs/dbraw/zinc/40/88/02/815408802.db2.gz MOTKXCIGHADTGJ-CZUORRHYSA-N 0 3 282.428 2.334 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001038907532 810943659 /nfs/dbraw/zinc/94/36/59/810943659.db2.gz AKPXQFGXYGEOSG-OAHLLOKOSA-N 0 3 290.411 2.234 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c[nH]c2ncccc12 ZINC001039024768 810971133 /nfs/dbraw/zinc/97/11/33/810971133.db2.gz FXMYAQMTAKTPHK-ZDUSSCGKSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cn2ccccc2n1 ZINC001085958968 810981225 /nfs/dbraw/zinc/98/12/25/810981225.db2.gz OYMRQKGSRQTRHE-AWEZNQCLSA-N 0 3 298.390 2.057 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccn1CC ZINC001085975015 810991289 /nfs/dbraw/zinc/99/12/89/810991289.db2.gz LIYPQNHCSFQDFS-CQSZACIVSA-N 0 3 275.396 2.230 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CC1 ZINC001039361973 811017883 /nfs/dbraw/zinc/01/78/83/811017883.db2.gz HLEUPVWKDBBTAJ-IMJJTQAJSA-N 0 3 274.408 2.121 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CC1 ZINC001039430699 811029222 /nfs/dbraw/zinc/02/92/22/811029222.db2.gz QXLPRPWFEJPEOM-CABCVRRESA-N 0 3 274.408 2.265 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2c(C)noc2C)C1 ZINC001086305179 811097412 /nfs/dbraw/zinc/09/74/12/811097412.db2.gz JZAINCXGQVKPNM-HAQNSBGRSA-N 0 3 297.786 2.142 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc(F)nc2)C1 ZINC001086327113 811104719 /nfs/dbraw/zinc/10/47/19/811104719.db2.gz QIEKAVFIDXDJDM-UMSPYCQHSA-N 0 3 297.761 2.071 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC001040428868 811113110 /nfs/dbraw/zinc/11/31/10/811113110.db2.gz GLIJGVDVWKAOFQ-NVXWUHKLSA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)c3cc(C)[nH]c3C)C2)CC1 ZINC001040861803 811125471 /nfs/dbraw/zinc/12/54/71/811125471.db2.gz WUVINXMEOFUQIX-UHFFFAOYSA-N 0 3 299.418 2.193 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)C3(C)CCCC3)C2)C1 ZINC001041519750 811170946 /nfs/dbraw/zinc/17/09/46/811170946.db2.gz LTWBBTAMNDMRSB-KRWDZBQOSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)C3(C)CCCC3)C2)C1 ZINC001041519751 811171203 /nfs/dbraw/zinc/17/12/03/811171203.db2.gz LTWBBTAMNDMRSB-QGZVFWFLSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)C3CC4(CCC4)C3)C2)C1 ZINC001041573236 811178288 /nfs/dbraw/zinc/17/82/88/811178288.db2.gz MMNZRCVAEHSGEU-GOSISDBHSA-N 0 3 286.419 2.124 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)CC3CC(C)(C)C3)C2)C1 ZINC001041595394 811180003 /nfs/dbraw/zinc/18/00/03/811180003.db2.gz UCKIPEMCYPLZJE-SFHVURJKSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)C3CCC=CCC3)C2)C1 ZINC001041835220 811194877 /nfs/dbraw/zinc/19/48/77/811194877.db2.gz CIYFDKDZQIBVLC-SFHVURJKSA-N 0 3 286.419 2.290 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccsc3)C[C@@H]21 ZINC001041915075 811214840 /nfs/dbraw/zinc/21/48/40/811214840.db2.gz GFHNVTLUGWZNBS-JSGCOSHPSA-N 0 3 276.405 2.471 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(C)o3)C[C@@H]21 ZINC001041924700 811216897 /nfs/dbraw/zinc/21/68/97/811216897.db2.gz KIJQBJVKAXQIDJ-KBPBESRZSA-N 0 3 274.364 2.310 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cnccc3C)C[C@@H]21 ZINC001041996087 811228412 /nfs/dbraw/zinc/22/84/12/811228412.db2.gz LHNGWHQHUMDYNF-HOCLYGCPSA-N 0 3 285.391 2.112 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3coc(C)n3)C[C@@H]21 ZINC001042030250 811233839 /nfs/dbraw/zinc/23/38/39/811233839.db2.gz YZLGYRUJXIFTSK-HIFRSBDPSA-N 0 3 289.379 2.096 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)c3[nH]c(C)cc3C)C[C@H]21 ZINC001042115171 811244764 /nfs/dbraw/zinc/24/47/64/811244764.db2.gz RNTJWIXFQAPLPV-HZPDHXFCSA-N 0 3 299.418 2.191 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3c(C)cncc3C)C[C@H]21 ZINC001042147824 811245925 /nfs/dbraw/zinc/24/59/25/811245925.db2.gz DTWSDBZRLBQTHS-JKSUJKDBSA-N 0 3 299.418 2.421 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@H]21 ZINC001042198733 811254041 /nfs/dbraw/zinc/25/40/41/811254041.db2.gz MUNBKPAJZUPPMZ-RBGFHDKUSA-N 0 3 274.408 2.141 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccnc3C)C[C@@H]21 ZINC001042206914 811256731 /nfs/dbraw/zinc/25/67/31/811256731.db2.gz NRFCNMZXLWUCHF-HOCLYGCPSA-N 0 3 285.391 2.112 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3(CF)CCC3)C[C@@H]21 ZINC001042242211 811261226 /nfs/dbraw/zinc/26/12/26/811261226.db2.gz JRJOLCQAVXCIFS-CABCVRRESA-N 0 3 292.398 2.072 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccnc(C)c3)C[C@H]21 ZINC001042277108 811263799 /nfs/dbraw/zinc/26/37/99/811263799.db2.gz MHBXHEIBVMRWBB-GOEBONIOSA-N 0 3 285.391 2.112 20 30 CEEDHN C#CCN1CC[C@H]2CCN(C(=O)Cc3ccccc3C)C[C@H]21 ZINC001042346408 811269898 /nfs/dbraw/zinc/26/98/98/811269898.db2.gz UBOYXFHGCTZASC-FUHWJXTLSA-N 0 3 296.414 2.094 20 30 CEEDHN C[C@H](N)c1ccn(-c2ccc3c(C#N)c[nH]c3c2)n1 ZINC001169233506 811448501 /nfs/dbraw/zinc/44/85/01/811448501.db2.gz RCAAUKVTTXKGDC-VIFPVBQESA-N 0 3 251.293 2.245 20 30 CEEDHN C[C@H](CCCC#N)N1CC[C@](O)(C(F)(F)F)C1 ZINC001172493817 815452753 /nfs/dbraw/zinc/45/27/53/815452753.db2.gz OFFMAACNVNBGTJ-NXEZZACHSA-N 0 3 250.264 2.068 20 30 CEEDHN C[C@H](N)c1ccc(NC=CC(=O)C(F)(F)F)cn1 ZINC001169480250 811526223 /nfs/dbraw/zinc/52/62/23/811526223.db2.gz AGEGYBNTERMIHJ-KPJROHGDSA-N 0 3 259.231 2.158 20 30 CEEDHN C[C@@H](CCCC#N)N1CCN2CC(F)(F)C[C@H]2C1 ZINC001172498887 815454309 /nfs/dbraw/zinc/45/43/09/815454309.db2.gz SMDPTCXOTMFDAV-RYUDHWBXSA-N 0 3 257.328 2.094 20 30 CEEDHN C[C@H](CCCC#N)N1CCN(Cc2ccccn2)CC1 ZINC001172496320 815454582 /nfs/dbraw/zinc/45/45/82/815454582.db2.gz LZAUMCCBJNXZJL-OAHLLOKOSA-N 0 3 272.396 2.282 20 30 CEEDHN N#Cc1cccc(CNCCNC(=O)Cc2ccsc2)c1 ZINC001122947217 815456940 /nfs/dbraw/zinc/45/69/40/815456940.db2.gz VWIJFLJWMLHNOH-UHFFFAOYSA-N 0 3 299.399 2.068 20 30 CEEDHN C/C=C(\C)C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001156342928 811576293 /nfs/dbraw/zinc/57/62/93/811576293.db2.gz LFBZDUPUDVUBEQ-KGVSQERTSA-N 0 3 289.354 2.259 20 30 CEEDHN C/C=C(/C)C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001156342927 811576538 /nfs/dbraw/zinc/57/65/38/811576538.db2.gz LFBZDUPUDVUBEQ-BASWHVEKSA-N 0 3 289.354 2.259 20 30 CEEDHN Cc1cnc(N2CCCc3ccc(CN)nc32)cc1C#N ZINC001169590921 811580066 /nfs/dbraw/zinc/58/00/66/811580066.db2.gz ROQWWKCXZFJKTJ-UHFFFAOYSA-N 0 3 279.347 2.200 20 30 CEEDHN CC1(NC(=O)C2CC2)CCN(Cc2ccc(C#N)cc2)CC1 ZINC001045336552 811594334 /nfs/dbraw/zinc/59/43/34/811594334.db2.gz DTLGHUCYKRRPGA-UHFFFAOYSA-N 0 3 297.402 2.439 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2occc2C)CC1 ZINC001045363546 811601886 /nfs/dbraw/zinc/60/18/86/811601886.db2.gz LGSCSXFFHDTJRL-UHFFFAOYSA-N 0 3 262.353 2.358 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2[nH]c(C)cc2C)CC1 ZINC001045478634 811616114 /nfs/dbraw/zinc/61/61/14/811616114.db2.gz STGUYHXUFBMUGE-UHFFFAOYSA-N 0 3 275.396 2.402 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2ocnc2C2CC2)CC1 ZINC001045554577 811625191 /nfs/dbraw/zinc/62/51/91/811625191.db2.gz RCWKKYPMLGFOBI-UHFFFAOYSA-N 0 3 289.379 2.322 20 30 CEEDHN C[C@H](C#N)C(=O)N[C@H](C)CCCCNCc1nccs1 ZINC001169847590 811686012 /nfs/dbraw/zinc/68/60/12/811686012.db2.gz KHDMDQOTFUJNIZ-VXGBXAGGSA-N 0 3 294.424 2.067 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cccc(F)c2)C1 ZINC001046111177 811686901 /nfs/dbraw/zinc/68/69/01/811686901.db2.gz MWNROUHVAOICKE-MRXNPFEDSA-N 0 3 274.339 2.043 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2coc(C)c2)C1 ZINC001046265578 811726278 /nfs/dbraw/zinc/72/62/78/811726278.db2.gz AYTGHOZWGFOLIY-OAHLLOKOSA-N 0 3 262.353 2.358 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001046368163 811744805 /nfs/dbraw/zinc/74/48/05/811744805.db2.gz VYNPHLWFOUQYPN-TZMCWYRMSA-N 0 3 284.350 2.026 20 30 CEEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@@H](C)c1cccnc1 ZINC001156444311 811751638 /nfs/dbraw/zinc/75/16/38/811751638.db2.gz QLYDXRIYYGIUNE-CABCVRRESA-N 0 3 287.407 2.035 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cccc3nccn32)C1 ZINC001046479365 811761513 /nfs/dbraw/zinc/76/15/13/811761513.db2.gz NSRUCTRILFOWBL-KRWDZBQOSA-N 0 3 298.390 2.105 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001046553586 811773692 /nfs/dbraw/zinc/77/36/92/811773692.db2.gz ISNKOZWWIGPCNC-NHIYQJMISA-N 0 3 262.397 2.189 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cc(C)ccc2F)C1 ZINC001046652068 811792394 /nfs/dbraw/zinc/79/23/94/811792394.db2.gz HAGKZEMSZSPLDI-QGZVFWFLSA-N 0 3 288.366 2.352 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cn3ccccc3n2)C1 ZINC001046820706 811824059 /nfs/dbraw/zinc/82/40/59/811824059.db2.gz MLQSRCOAGWSWFK-QGZVFWFLSA-N 0 3 298.390 2.105 20 30 CEEDHN CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc(C#N)s1)C2 ZINC001046998072 811848575 /nfs/dbraw/zinc/84/85/75/811848575.db2.gz HNFPLCCOPOPMQU-XQQFMLRXSA-N 0 3 289.404 2.109 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(CC=C)CC=C)C2 ZINC001109328837 811860822 /nfs/dbraw/zinc/86/08/22/811860822.db2.gz DMXZSUYMNJZPGG-IKGGRYGDSA-N 0 3 286.419 2.500 20 30 CEEDHN C=CCC(C)(C)C(=O)OC[C@@H]1CCN1C1CCOCC1 ZINC001123247769 815494327 /nfs/dbraw/zinc/49/43/27/815494327.db2.gz NXMLUEDEYMJORH-AWEZNQCLSA-N 0 3 281.396 2.385 20 30 CEEDHN N#CCc1ccnc(N(C(=N)N)c2ccc(F)cc2)c1 ZINC001157229679 812051250 /nfs/dbraw/zinc/05/12/50/812051250.db2.gz LURKARNSFQISLG-UHFFFAOYSA-N 0 3 269.283 2.318 20 30 CEEDHN CC(C)(C#N)CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000903101120 812054168 /nfs/dbraw/zinc/05/41/68/812054168.db2.gz AHHYJPREJOQGOZ-NWDGAFQWSA-N 0 3 291.355 2.414 20 30 CEEDHN CN1CCC[C@@H]2CN(c3nccc(Cl)c3C#N)C[C@@H]21 ZINC001157264320 812060732 /nfs/dbraw/zinc/06/07/32/812060732.db2.gz FDFWDLBOEPIVKO-MFKMUULPSA-N 0 3 276.771 2.137 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C3CC(C(C)(C)C)C3)C[C@@H]2C1 ZINC001049244181 812090419 /nfs/dbraw/zinc/09/04/19/812090419.db2.gz QKRZRWFQRZQWSC-IRHLINNNSA-N 0 3 288.435 2.082 20 30 CEEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1CCCC1 ZINC001049280139 812105618 /nfs/dbraw/zinc/10/56/18/812105618.db2.gz MLPQVBVLNUNBHL-CVEARBPZSA-N 0 3 274.408 2.265 20 30 CEEDHN C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C)o1 ZINC001049305779 812112455 /nfs/dbraw/zinc/11/24/55/812112455.db2.gz FEYDLXNEGGSSLD-LSDHHAIUSA-N 0 3 286.375 2.290 20 30 CEEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC(C)(C)C ZINC001049327050 812119162 /nfs/dbraw/zinc/11/91/62/812119162.db2.gz MWUYRUCJSRZHCJ-ZIAGYGMSSA-N 0 3 262.397 2.121 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)/C=C/C1CC1 ZINC001049391549 812134622 /nfs/dbraw/zinc/13/46/22/812134622.db2.gz MXLUFBLXORLCMP-GUFYHEMZSA-N 0 3 272.392 2.041 20 30 CEEDHN CCCCCCCN1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001113010602 812142540 /nfs/dbraw/zinc/14/25/40/812142540.db2.gz FJXYPBLNSSDCBV-MRXNPFEDSA-N 0 3 297.487 2.441 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC1(C)C ZINC001049424738 812143087 /nfs/dbraw/zinc/14/30/87/812143087.db2.gz GQBDCTDJKHNAEY-MELADBBJSA-N 0 3 262.397 2.284 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cc1ccoc1 ZINC001049444738 812148077 /nfs/dbraw/zinc/14/80/77/812148077.db2.gz OZLGAYCDQFCCCL-CABCVRRESA-N 0 3 274.364 2.073 20 30 CEEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1C=CC=CC=C1 ZINC001049501221 812157206 /nfs/dbraw/zinc/15/72/06/812157206.db2.gz IIGGXJAJMGQSCJ-ROUUACIJSA-N 0 3 296.414 2.373 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(C2CC2)CC1 ZINC001049543504 812164046 /nfs/dbraw/zinc/16/40/46/812164046.db2.gz VXKYHWOHQQRNQV-CABCVRRESA-N 0 3 274.408 2.428 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@]12C[C@H]1CCC2 ZINC001049600516 812170495 /nfs/dbraw/zinc/17/04/95/812170495.db2.gz AQVWLYMGYHGRSF-PNBKFKSVSA-N 0 3 274.408 2.428 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001049659616 812184269 /nfs/dbraw/zinc/18/42/69/812184269.db2.gz IWZRSAVMKVLANC-CWVYHPPDSA-N 0 3 274.408 2.284 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC12CCC2 ZINC001049756741 812204853 /nfs/dbraw/zinc/20/48/53/812204853.db2.gz XBTUOZZPMCKZKK-QLFBSQMISA-N 0 3 274.408 2.428 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccnc(C)c1 ZINC001049801309 812211628 /nfs/dbraw/zinc/21/16/28/812211628.db2.gz GXWANUCMKVPPDK-JKSUJKDBSA-N 0 3 285.391 2.255 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c([nH]1)CCC2 ZINC001049844169 812218631 /nfs/dbraw/zinc/21/86/31/812218631.db2.gz NONVGNHAFHWYHV-SJORKVTESA-N 0 3 299.418 2.368 20 30 CEEDHN C#CCCN1C[C@@H]2CCCN(C(=O)c3cccs3)[C@@H]2C1 ZINC001049959245 812242701 /nfs/dbraw/zinc/24/27/01/812242701.db2.gz XDGHFMSNRJXWCS-UONOGXRCSA-N 0 3 288.416 2.308 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)noc1C)C2 ZINC001096786960 812275062 /nfs/dbraw/zinc/27/50/62/812275062.db2.gz GFBGLLVQJYQDJV-MCIONIFRSA-N 0 3 289.379 2.203 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC(OCC)C1)C2 ZINC001097026723 812317903 /nfs/dbraw/zinc/31/79/03/812317903.db2.gz QXHMJZKIJJOCPR-IHTQCXBNSA-N 0 3 292.423 2.099 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC(C)(C)C1)C2 ZINC001097034478 812318842 /nfs/dbraw/zinc/31/88/42/812318842.db2.gz RULZLYSEQQZZDE-KFWWJZLASA-N 0 3 274.408 2.167 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CC)n1)C2 ZINC001097231753 812344129 /nfs/dbraw/zinc/34/41/29/812344129.db2.gz WKLZUUIZZOZMJS-OIISXLGYSA-N 0 3 297.402 2.002 20 30 CEEDHN CN1CC(CNc2c(C#N)cnc3nc(Cl)ccc32)C1 ZINC001170252493 812371346 /nfs/dbraw/zinc/37/13/46/812371346.db2.gz OJJKVCKIYRMSGT-UHFFFAOYSA-N 0 3 287.754 2.128 20 30 CEEDHN CCN(CCC#N)[C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172789932 815523165 /nfs/dbraw/zinc/52/31/65/815523165.db2.gz APHHPHDVFJYUGH-OLZOCXBDSA-N 0 3 252.358 2.344 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001052694089 812447750 /nfs/dbraw/zinc/44/77/50/812447750.db2.gz OIPYDMJUWQKWGQ-QLFBSQMISA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2cc3ccccn3c2)CC1 ZINC001052763305 812457865 /nfs/dbraw/zinc/45/78/65/812457865.db2.gz GKKNNTUWESZQNA-INIZCTEOSA-N 0 3 295.386 2.157 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2c(C)cccc2F)CC1 ZINC001052974624 812480393 /nfs/dbraw/zinc/48/03/93/812480393.db2.gz NQIDXLIZIWWRRO-CQSZACIVSA-N 0 3 288.366 2.352 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc3n(c2)CCCC3)CC1 ZINC001052983180 812482343 /nfs/dbraw/zinc/48/23/43/812482343.db2.gz FOVMSOKIFIWBFM-MRXNPFEDSA-N 0 3 299.418 2.042 20 30 CEEDHN C#CCNCCNC(=O)c1ccccc1C(C)(C)CC ZINC001130056864 812528685 /nfs/dbraw/zinc/52/86/85/812528685.db2.gz XOUYSAZZCKLHMD-UHFFFAOYSA-N 0 3 272.392 2.327 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccco1)C2 ZINC001054074730 812530996 /nfs/dbraw/zinc/53/09/96/812530996.db2.gz VAABXRGYLLTPLX-KRWDZBQOSA-N 0 3 286.375 2.231 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC1(C)C)C2 ZINC001054179922 812546533 /nfs/dbraw/zinc/54/65/33/812546533.db2.gz KOXDKRVWRDEXIC-CRAIPNDOSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](F)C(C)C)C2 ZINC001054179904 812546888 /nfs/dbraw/zinc/54/68/88/812546888.db2.gz KCRWKLRDWYGWLH-RDJZCZTQSA-N 0 3 294.414 2.318 20 30 CEEDHN CN(C)c1ccc(NC(=O)[C@@H](N)CCCC#N)cc1Cl ZINC000691532652 812579574 /nfs/dbraw/zinc/57/95/74/812579574.db2.gz SUNCEKRBIJNVPP-LBPRGKRZSA-N 0 3 294.786 2.366 20 30 CEEDHN C#CCNCCNC(=O)c1sc2ccccc2c1C ZINC001131040919 812631420 /nfs/dbraw/zinc/63/14/20/812631420.db2.gz BTQIJCAOGKPSCR-UHFFFAOYSA-N 0 3 272.373 2.162 20 30 CEEDHN CC#CCNCCNC(=O)c1ccc2c3c(cccc31)CC2 ZINC001131093877 812637593 /nfs/dbraw/zinc/63/75/93/812637593.db2.gz DHQLUJOUEZTQLH-UHFFFAOYSA-N 0 3 292.382 2.281 20 30 CEEDHN C[C@H](CC(F)F)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001131450509 812672550 /nfs/dbraw/zinc/67/25/50/812672550.db2.gz YNSCKPXHGLPRBV-LLVKDONJSA-N 0 3 295.333 2.055 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCc2cncs2)C1 ZINC001054976212 812676303 /nfs/dbraw/zinc/67/63/03/812676303.db2.gz JDRMJYQGAGDHPD-YPMHNXCESA-N 0 3 293.436 2.292 20 30 CEEDHN C[C@@H](Nc1nc2ccccc2cc1CC#N)[C@H]1CNCCO1 ZINC001170571576 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C=CCN1CCC2(CN(C(=O)C[C@H]3C=CCCC3)C2)C1 ZINC001072845721 813672748 /nfs/dbraw/zinc/67/27/48/813672748.db2.gz BUKNOWBIZVJIDE-HNNXBMFYSA-N 0 3 274.408 2.453 20 30 CEEDHN C=CCN1CC=C(CCNC(=O)[C@@H](OCC)C(C)C)CC1 ZINC001160136903 813727866 /nfs/dbraw/zinc/72/78/66/813727866.db2.gz SGZLUQRLRQTQPN-INIZCTEOSA-N 0 3 294.439 2.372 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2cccs2)C1 ZINC001073525215 813760771 /nfs/dbraw/zinc/76/07/71/813760771.db2.gz SXMNSBMXIPTBPV-CYBMUJFWSA-N 0 3 294.420 2.145 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(C)nc2)C1 ZINC001090926443 813889497 /nfs/dbraw/zinc/88/94/97/813889497.db2.gz DIBSOHZWLDKQTO-UHFFFAOYSA-N 0 3 293.798 2.241 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1cccnc1)C2 ZINC001098235918 813912420 /nfs/dbraw/zinc/91/24/20/813912420.db2.gz WEPCYSHQAXKVEL-SVGFKBNWSA-N 0 3 299.418 2.483 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cnc(C)s2)C1 ZINC001090950768 813921676 /nfs/dbraw/zinc/92/16/76/813921676.db2.gz FXZCPLUMTLDGTF-UHFFFAOYSA-N 0 3 299.827 2.302 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2C=CCC2)C1 ZINC001098722811 813938647 /nfs/dbraw/zinc/93/86/47/813938647.db2.gz ATYHYZRXBBTFSJ-RYRKJORJSA-N 0 3 286.419 2.337 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccoc2C)C1 ZINC001098718328 813939501 /nfs/dbraw/zinc/93/95/01/813939501.db2.gz KTUZYPJADCUPSR-BBRMVZONSA-N 0 3 274.364 2.358 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C2CC2)C1 ZINC001098774556 813948647 /nfs/dbraw/zinc/94/86/47/813948647.db2.gz CVVMBFBWYBWAJK-INWMFGNUSA-N 0 3 262.397 2.189 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccccc2)C1 ZINC001098905113 813963659 /nfs/dbraw/zinc/96/36/59/813963659.db2.gz RYLVVFGTRBVFOO-HKUYNNGSSA-N 0 3 296.414 2.223 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1ccon1 ZINC001098988781 813970893 /nfs/dbraw/zinc/97/08/93/813970893.db2.gz QKISPCKBGJGYRU-AWEZNQCLSA-N 0 3 291.395 2.010 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC1(O)CCC1 ZINC001099061448 813984507 /nfs/dbraw/zinc/98/45/07/813984507.db2.gz 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/nfs/dbraw/zinc/12/36/82/814123682.db2.gz GFMPVSQLNVRBAA-CYBMUJFWSA-N 0 3 268.364 2.495 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cc2n(n1)CCCO2 ZINC001171202219 814127784 /nfs/dbraw/zinc/12/77/84/814127784.db2.gz AAFHWRTZRSZVAJ-ZDUSSCGKSA-N 0 3 296.374 2.258 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC(F)(F)[C@@H](CO)C1 ZINC001171202805 814134162 /nfs/dbraw/zinc/13/41/62/814134162.db2.gz GWMBUEDTGZPHNN-IUODEOHRSA-N 0 3 294.345 2.439 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)N1CC2(C1)CCOC2 ZINC001171204405 814148484 /nfs/dbraw/zinc/14/84/84/814148484.db2.gz XIADSDDGQUSWST-CYBMUJFWSA-N 0 3 256.349 2.212 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccnc(C)c2)C1 ZINC001091288853 814205774 /nfs/dbraw/zinc/20/57/74/814205774.db2.gz DZGFKOGXDUZAES-UHFFFAOYSA-N 0 3 293.798 2.241 20 30 CEEDHN C=CCN1CCC[C@H]1CNc1ncc(C)cc1/C=N/O ZINC001160953563 814281629 /nfs/dbraw/zinc/28/16/29/814281629.db2.gz FPRWZUDRMUDWHL-XKYMITNMSA-N 0 3 274.368 2.260 20 30 CEEDHN C=CCCC(=O)NC[C@@H]1CN(Cc2cnc(C)o2)C[C@H]1C ZINC001101804977 814315976 /nfs/dbraw/zinc/31/59/76/814315976.db2.gz ASNXHSQFFCBNKS-TZMCWYRMSA-N 0 3 291.395 2.133 20 30 CEEDHN CC(C)C#CC(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001101948974 814347070 /nfs/dbraw/zinc/34/70/70/814347070.db2.gz OIKGWSULVJMXSD-HMJDLUCASA-N 0 3 282.815 2.082 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@@](C)(F)CCCC)C2)C1 ZINC001147809080 814496942 /nfs/dbraw/zinc/49/69/42/814496942.db2.gz DQSUQDRSZJWDKC-INIZCTEOSA-N 0 3 294.414 2.462 20 30 CEEDHN C#CCNCCNC(=O)c1cccc(C2CCCC2)c1 ZINC001147842352 814503845 /nfs/dbraw/zinc/50/38/45/814503845.db2.gz UAQVWJYXADENLR-UHFFFAOYSA-N 0 3 270.376 2.297 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)CCCc3cccnc3)C2)C1 ZINC001148488215 814572892 /nfs/dbraw/zinc/57/28/92/814572892.db2.gz OWDLIJHRNLEEJJ-UHFFFAOYSA-N 0 3 299.418 2.125 20 30 CEEDHN C=CCN1CC=C(CCNC(=O)[C@@H](CC(C)C)OC)CC1 ZINC001161148249 814603891 /nfs/dbraw/zinc/60/38/91/814603891.db2.gz HWBILIQZFITELF-MRXNPFEDSA-N 0 3 294.439 2.372 20 30 CEEDHN CC#CCNCCNC(=O)c1c(Cl)cccc1Cl ZINC001148910065 814622272 /nfs/dbraw/zinc/62/22/72/814622272.db2.gz JTBVUHRQWNACMJ-UHFFFAOYSA-N 0 3 285.174 2.336 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)CCCC(F)(F)F)CC1 ZINC001273446491 814633556 /nfs/dbraw/zinc/63/35/56/814633556.db2.gz RLHZFZJYYXHDGY-GFCCVEGCSA-N 0 3 290.329 2.323 20 30 CEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)CC)C2)CC1 ZINC001086894610 814643577 /nfs/dbraw/zinc/64/35/77/814643577.db2.gz QZEDEWZLKVKGSJ-AWEZNQCLSA-N 0 3 262.397 2.123 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCc1cccs1 ZINC001115214085 814687417 /nfs/dbraw/zinc/68/74/17/814687417.db2.gz BJYHNXCAKIRFMH-FOLVSLTJSA-N 0 3 290.432 2.303 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cccc(C)c3C)C[C@]2(C)C1 ZINC001092245034 814697676 /nfs/dbraw/zinc/69/76/76/814697676.db2.gz WPNFVMAOSOMFEG-APWZRJJASA-N 0 3 296.414 2.331 20 30 CEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H](C)CCCC)C1 ZINC001149646622 814720657 /nfs/dbraw/zinc/72/06/57/814720657.db2.gz NWLHLPDPTMOWIF-HZPDHXFCSA-N 0 3 294.439 2.043 20 30 CEEDHN CC[C@H]1CC[C@H](N2CCC(C#N)(C(=O)OC)CC2)C1 ZINC001173285690 815670068 /nfs/dbraw/zinc/67/00/68/815670068.db2.gz XHQCAMCRXSEULM-STQMWFEESA-N 0 3 264.369 2.344 20 30 CEEDHN C=CCOC1CCC(N2CCC[C@@H]2C(=O)OC)CC1 ZINC001173321377 815673030 /nfs/dbraw/zinc/67/30/30/815673030.db2.gz JTRPCRICWTUXAA-JXQTWKCFSA-N 0 3 267.369 2.138 20 30 CEEDHN C=CCOC1CCC(NC(=N)c2ccc(F)cn2)CC1 ZINC001173315897 815689644 /nfs/dbraw/zinc/68/96/44/815689644.db2.gz SHFLHKFQRKVBHD-UHFFFAOYSA-N 0 3 277.343 2.440 20 30 CEEDHN COc1cc(CN2CCC(S)CC2)ccc1O ZINC001204114900 815709269 /nfs/dbraw/zinc/70/92/69/815709269.db2.gz OUBRWXNPEDERAF-UHFFFAOYSA-N 0 3 253.367 2.295 20 30 CEEDHN CCOC(=O)[C@@H]1CC12CCC(N1CC[C@H](C#N)C1)CC2 ZINC001173616148 815775590 /nfs/dbraw/zinc/77/55/90/815775590.db2.gz DEEYBEIXOPRLBO-RXFTYZNJSA-N 0 3 276.380 2.344 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c1[O-] ZINC001138625878 815845470 /nfs/dbraw/zinc/84/54/70/815845470.db2.gz VTARAKMBOMOJRZ-WFASDCNBSA-N 0 3 261.365 2.323 20 30 CEEDHN C=CCc1cccc(C[N@H+]2C[C@@H](C)C[C@H]2CO)c1[O-] ZINC001138625878 815845479 /nfs/dbraw/zinc/84/54/79/815845479.db2.gz VTARAKMBOMOJRZ-WFASDCNBSA-N 0 3 261.365 2.323 20 30 CEEDHN C=CCc1cccc(C[NH+](CCOC)CCOC)c1[O-] ZINC001138624656 815845979 /nfs/dbraw/zinc/84/59/79/815845979.db2.gz RVFNLYGEDKOWBP-UHFFFAOYSA-N 0 3 279.380 2.216 20 30 CEEDHN C=CCc1cccc(C[N@H+](C)CCc2noc(C)n2)c1[O-] ZINC001138625556 815846691 /nfs/dbraw/zinc/84/66/91/815846691.db2.gz OOGASERMFOJISA-UHFFFAOYSA-N 0 3 287.363 2.487 20 30 CEEDHN C=CCc1cccc(C[N@@H+](C)CCc2noc(C)n2)c1[O-] ZINC001138625556 815846699 /nfs/dbraw/zinc/84/66/99/815846699.db2.gz OOGASERMFOJISA-UHFFFAOYSA-N 0 3 287.363 2.487 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CCCC[C@@H](O)C2)c1[O-] ZINC001138625811 815847124 /nfs/dbraw/zinc/84/71/24/815847124.db2.gz TZCWMHZLDJBOLY-OAHLLOKOSA-N 0 3 261.365 2.468 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CCCC[C@@H](O)C2)c1[O-] ZINC001138625811 815847133 /nfs/dbraw/zinc/84/71/33/815847133.db2.gz TZCWMHZLDJBOLY-OAHLLOKOSA-N 0 3 261.365 2.468 20 30 CEEDHN C=CCc1cccc(C[N@@H+](C)CC(OC)OC)c1[O-] ZINC001138627997 815848447 /nfs/dbraw/zinc/84/84/47/815848447.db2.gz LIVDWEXXEGULOV-UHFFFAOYSA-N 0 3 265.353 2.171 20 30 CEEDHN C=CCc1cccc(C[N@H+](C)CC(OC)OC)c1[O-] ZINC001138627997 815848455 /nfs/dbraw/zinc/84/84/55/815848455.db2.gz LIVDWEXXEGULOV-UHFFFAOYSA-N 0 3 265.353 2.171 20 30 CEEDHN C=CCc1cccc(CN(C)CC(OC)OC)c1O ZINC001138627997 815848461 /nfs/dbraw/zinc/84/84/61/815848461.db2.gz LIVDWEXXEGULOV-UHFFFAOYSA-N 0 3 265.353 2.171 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC(C)C1)C2 ZINC001095295074 815962307 /nfs/dbraw/zinc/96/23/07/815962307.db2.gz HZHBVLVEMXKQEL-IFOPZJACSA-N 0 3 262.397 2.330 20 30 CEEDHN N#C[C@@H]1CCCN(Cc2ccc3nonc3c2)CC1 ZINC001139224586 815990472 /nfs/dbraw/zinc/99/04/72/815990472.db2.gz NYWTXPIQPPCDKR-LLVKDONJSA-N 0 3 256.309 2.348 20 30 CEEDHN C=CCn1cc(CN2CCCC[C@H](C(=O)OCC)C2)cn1 ZINC001139770981 816111767 /nfs/dbraw/zinc/11/17/67/816111767.db2.gz JJKNQMMVAYXERB-HNNXBMFYSA-N 0 3 291.395 2.234 20 30 CEEDHN CN(Cc1ccc(C#N)cc1F)[C@@H]1CCC2(C1)OCCO2 ZINC001140139784 816199275 /nfs/dbraw/zinc/19/92/75/816199275.db2.gz KZBVOGYIAVJVTA-CQSZACIVSA-N 0 3 290.338 2.425 20 30 CEEDHN N#Cc1ccc(CN2CCC3SC(=O)C=C3C2)c(F)c1 ZINC001140137089 816199682 /nfs/dbraw/zinc/19/96/82/816199682.db2.gz ZWBDHQNYMLSQTK-AWEZNQCLSA-N 0 3 288.347 2.471 20 30 CEEDHN CCN1CCN(c2ccc(CN(C)[C@@H](C)C#N)cc2)CC1 ZINC001140309630 816227445 /nfs/dbraw/zinc/22/74/45/816227445.db2.gz OHRDTHPPGIAEMW-HNNXBMFYSA-N 0 3 286.423 2.172 20 30 CEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@H](CC)CCC)C1 ZINC001150516214 816229699 /nfs/dbraw/zinc/22/96/99/816229699.db2.gz FGKNBTVOAZDQOL-HZPDHXFCSA-N 0 3 294.439 2.043 20 30 CEEDHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cc[nH]c1)C2 ZINC001140705885 816326641 /nfs/dbraw/zinc/32/66/41/816326641.db2.gz CBTVQTRQQXDDIH-HOTGVXAUSA-N 0 3 276.380 2.341 20 30 CEEDHN C=CCC[C@H]1CCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC001176771730 816476559 /nfs/dbraw/zinc/47/65/59/816476559.db2.gz SMBCADIQNMITID-LBPRGKRZSA-N 0 3 264.329 2.259 20 30 CEEDHN COC(=O)Cc1ccc(CN2CCC(C#N)CC2)cc1 ZINC001142898796 816751687 /nfs/dbraw/zinc/75/16/87/816751687.db2.gz QHFYVICJCSXEFH-UHFFFAOYSA-N 0 3 272.348 2.138 20 30 CEEDHN C#Cc1ccc(CNCc2ccc3c(c2)oc(=O)n3C)cc1 ZINC001178759201 816791327 /nfs/dbraw/zinc/79/13/27/816791327.db2.gz ZCRYNNPRNUJLCJ-UHFFFAOYSA-N 0 3 292.338 2.403 20 30 CEEDHN N#CC[C@H]1CCCN(Cc2cccc3nonc32)C1 ZINC001203137928 816832669 /nfs/dbraw/zinc/83/26/69/816832669.db2.gz PUBHQXVPEKZJDF-LLVKDONJSA-N 0 3 256.309 2.348 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H](C)CCC)C1 ZINC001149400327 816860424 /nfs/dbraw/zinc/86/04/24/816860424.db2.gz WJOMNPZVGLSPPG-GJZGRUSLSA-N 0 3 282.428 2.206 20 30 CEEDHN C#CCC[C@@H](O)CNCc1nc2ccccc2n1C(C)C ZINC001179489009 816867400 /nfs/dbraw/zinc/86/74/00/816867400.db2.gz DMKPIFUEOPWVNN-CQSZACIVSA-N 0 3 285.391 2.481 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)/C=C(/C)CC)C1 ZINC001149688105 816888326 /nfs/dbraw/zinc/88/83/26/816888326.db2.gz SVYXHPICEMLDGA-KQGZCTBQSA-N 0 3 280.412 2.126 20 30 CEEDHN C[C@H]1C[C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])CCN1C ZINC000124838363 187157010 /nfs/dbraw/zinc/15/70/10/187157010.db2.gz OQHRNDRMGCDIME-CMPLNLGQSA-N 0 3 274.324 2.361 20 30 CEEDHN Cc1ccnc(NC(=O)C2CCN(CCCC#N)CC2)c1 ZINC000079883079 343993461 /nfs/dbraw/zinc/99/34/61/343993461.db2.gz QHZMMKUIIMXPQV-UHFFFAOYSA-N 0 3 286.379 2.344 20 30 CEEDHN CCc1nnc(NC[C@@H]2CCCN(C)C2)c(C#N)c1CC ZINC000124948424 187162554 /nfs/dbraw/zinc/16/25/54/187162554.db2.gz JAFAQLQFHSIYCE-LBPRGKRZSA-N 0 3 287.411 2.227 20 30 CEEDHN C=CCNC(=O)NC[C@H](C(C)C)N(CC=C)CC=C ZINC000124160355 365645259 /nfs/dbraw/zinc/64/52/59/365645259.db2.gz QZBSHGUKADAUBR-CQSZACIVSA-N 0 3 265.401 2.170 20 30 CEEDHN CN(C(=O)Nc1cccc2c1CCNC2)[C@H]1CCC[C@@H]1C#N ZINC000601566493 346851655 /nfs/dbraw/zinc/85/16/55/346851655.db2.gz NRZPSGJOIIDELU-WBMJQRKESA-N 0 3 298.390 2.488 20 30 CEEDHN CN(C(=O)Nc1ccc2c(c1)CNCC2)[C@H]1CCC[C@H]1C#N ZINC000601567672 346851883 /nfs/dbraw/zinc/85/18/83/346851883.db2.gz URXBSMULNSBRAG-BBRMVZONSA-N 0 3 298.390 2.488 20 30 CEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)C1(C#N)CC2(CC2)C1 ZINC000601576243 346853104 /nfs/dbraw/zinc/85/31/04/346853104.db2.gz UGCPCAHDNWVTRP-KBPBESRZSA-N 0 3 287.407 2.156 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000337968485 214336260 /nfs/dbraw/zinc/33/62/60/214336260.db2.gz FKAQFPXNMXHRFT-BLLLJJGKSA-N 0 3 285.391 2.325 20 30 CEEDHN CCC#C[C@@H](C)N1CCC(C(=O)NCCC)CC1 ZINC000677047437 539183079 /nfs/dbraw/zinc/18/30/79/539183079.db2.gz AJYRKMOUMLPWDV-CYBMUJFWSA-N 0 3 250.386 2.027 20 30 CEEDHN O=C(C#Cc1ccccc1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000080644323 344018542 /nfs/dbraw/zinc/01/85/42/344018542.db2.gz NRHDHABOWOCTSG-MRXNPFEDSA-N 0 3 282.387 2.171 20 30 CEEDHN C[C@H](C(=O)N(C)[C@@H]1CCC[C@@H]1C#N)N1[C@H](C)CC[C@@H]1C ZINC000601807236 346903565 /nfs/dbraw/zinc/90/35/65/346903565.db2.gz IHHNWFAOPGPFPX-XLWJZTARSA-N 0 3 277.412 2.398 20 30 CEEDHN O=C(C#Cc1ccccc1)N1CCC[C@@H](N2CCCC2)C1 ZINC000080646535 344018602 /nfs/dbraw/zinc/01/86/02/344018602.db2.gz NSOPUWVNFSJIPW-QGZVFWFLSA-N 0 3 282.387 2.125 20 30 CEEDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)CCN1C ZINC000127839892 187336592 /nfs/dbraw/zinc/33/65/92/187336592.db2.gz UFNCZTAKERHTTA-ZWNOBZJWSA-N 0 3 274.324 2.361 20 30 CEEDHN COCC#CCN1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000677818652 539269724 /nfs/dbraw/zinc/26/97/24/539269724.db2.gz SKFCRNCJCPJGKZ-MRXNPFEDSA-N 0 3 273.376 2.352 20 30 CEEDHN COCC#CCN(C)[C@H]1CCCN(c2ccccc2)C1 ZINC000677820180 539270221 /nfs/dbraw/zinc/27/02/21/539270221.db2.gz IPLVWZYRNJLEPR-KRWDZBQOSA-N 0 3 272.392 2.237 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1CCN(c2ccncc2)CC1 ZINC000134911620 539283888 /nfs/dbraw/zinc/28/38/88/539283888.db2.gz IKTNEJPZWPHYCV-INIZCTEOSA-N 0 3 273.380 2.333 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H]([C@@H]3CCOC3)C2)o1 ZINC000336613014 365720051 /nfs/dbraw/zinc/72/00/51/365720051.db2.gz OFYUXWKADGZVSB-QWHCGFSZSA-N 0 3 260.337 2.400 20 30 CEEDHN C#CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000299220177 260174710 /nfs/dbraw/zinc/17/47/10/260174710.db2.gz KCSJVGRFPAQPCV-OAHLLOKOSA-N 0 3 259.349 2.397 20 30 CEEDHN C#CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000299220177 260174711 /nfs/dbraw/zinc/17/47/11/260174711.db2.gz KCSJVGRFPAQPCV-OAHLLOKOSA-N 0 3 259.349 2.397 20 30 CEEDHN CCN(C)C(=O)[C@@H](NCc1cccc(C#N)c1)C(C)C ZINC000294987786 199286158 /nfs/dbraw/zinc/28/61/58/199286158.db2.gz HEVXGBDWEBLKFR-HNNXBMFYSA-N 0 3 273.380 2.151 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)NCC#Cc1ccccc1 ZINC000045431289 343483603 /nfs/dbraw/zinc/48/36/03/343483603.db2.gz HASDIFSFBCKJKC-INIZCTEOSA-N 0 3 299.418 2.212 20 30 CEEDHN COCc1csc(CNC[C@@H](O)CC2(C#N)CC2)c1 ZINC000601959161 346942834 /nfs/dbraw/zinc/94/28/34/346942834.db2.gz MGOAIHMWYFOYQA-LBPRGKRZSA-N 0 3 280.393 2.039 20 30 CEEDHN CCCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047010682 343509411 /nfs/dbraw/zinc/50/94/11/343509411.db2.gz XIQANOSOTIILNU-UHFFFAOYSA-N 0 3 273.380 2.249 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)C(C1CC1)C1CC1 ZINC000050989607 343547426 /nfs/dbraw/zinc/54/74/26/343547426.db2.gz HCKOWCJKFZPWFX-INIZCTEOSA-N 0 3 277.412 2.161 20 30 CEEDHN CCCNC(=O)[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000051043314 343548006 /nfs/dbraw/zinc/54/80/06/343548006.db2.gz VCLFOEIGOXAMDN-INIZCTEOSA-N 0 3 285.391 2.296 20 30 CEEDHN C=CCN(CCC(=O)OC)Cc1cccc(C#N)c1 ZINC000063388235 343676549 /nfs/dbraw/zinc/67/65/49/343676549.db2.gz CDXIFGOFQWFCOT-UHFFFAOYSA-N 0 3 258.321 2.109 20 30 CEEDHN N#CCN(C(=O)C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000065894519 343703367 /nfs/dbraw/zinc/70/33/67/343703367.db2.gz UQEQGERHAXCLFJ-UHFFFAOYSA-N 0 3 297.402 2.413 20 30 CEEDHN CCCCN(C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000069875684 343791783 /nfs/dbraw/zinc/79/17/83/343791783.db2.gz YAWKQLRZKWLZBC-JSGCOSHPSA-N 0 3 253.390 2.161 20 30 CEEDHN CN(CC1(C#N)CC1)[C@H]1CCCN(CC2(C#N)CC2)CC1 ZINC000347492977 529853099 /nfs/dbraw/zinc/85/30/99/529853099.db2.gz WCKFRXKHYUWSGQ-HNNXBMFYSA-N 0 3 286.423 2.380 20 30 CEEDHN C=CCN1CCC(NC(=O)CNc2cccc(F)c2)CC1 ZINC000073436585 343830147 /nfs/dbraw/zinc/83/01/47/343830147.db2.gz BSDOBMDFRFZMJI-UHFFFAOYSA-N 0 3 291.370 2.004 20 30 CEEDHN N#Cc1ccc(CCNC(=O)[C@H]2CCN2C2CCCC2)cc1 ZINC000602178569 346989116 /nfs/dbraw/zinc/98/91/16/346989116.db2.gz NRAXJNOZVBVWAG-QGZVFWFLSA-N 0 3 297.402 2.234 20 30 CEEDHN CCC1(O)CCN(CCOc2cccc(C#N)c2)CC1 ZINC000075859856 343870011 /nfs/dbraw/zinc/87/00/11/343870011.db2.gz KBAOCJCPPJKOCC-UHFFFAOYSA-N 0 3 274.364 2.174 20 30 CEEDHN CN(CCOc1cccc(C#N)c1)C[C@@H]1CCCO1 ZINC000048336381 362257218 /nfs/dbraw/zinc/25/72/18/362257218.db2.gz LRHFXCZJUOSVTO-HNNXBMFYSA-N 0 3 260.337 2.048 20 30 CEEDHN Cc1nnc(N2CCN(C3CCC3)C[C@H](C)C2)c(C#N)c1C ZINC000291621604 282320159 /nfs/dbraw/zinc/32/01/59/282320159.db2.gz AUKUUUVKMGNFKI-LBPRGKRZSA-N 0 3 299.422 2.276 20 30 CEEDHN C=CCCC[C@H](C)N1CCN(Cc2noc(CC)n2)CC1 ZINC000091622951 344168477 /nfs/dbraw/zinc/16/84/77/344168477.db2.gz VBFCYPYQXNBKLZ-AWEZNQCLSA-N 0 3 292.427 2.494 20 30 CEEDHN C[C@H]1CN(Cc2cnc3ccc(C#N)cn23)C[C@@H]1C ZINC000093503495 344226227 /nfs/dbraw/zinc/22/62/27/344226227.db2.gz TWAWNQXTIYRCSQ-RYUDHWBXSA-N 0 3 254.337 2.294 20 30 CEEDHN CN(Cc1cc(C#N)cs1)[C@@H](CO)C(C)(C)C ZINC000093837481 344230837 /nfs/dbraw/zinc/23/08/37/344230837.db2.gz YQMMEAJZVSTCRE-LBPRGKRZSA-N 0 3 252.383 2.459 20 30 CEEDHN CC[C@@](C)(CN1CCN(c2ccccc2C#N)CC1)OC ZINC000602438416 347033606 /nfs/dbraw/zinc/03/36/06/347033606.db2.gz QIVNCKQWGDDCAN-KRWDZBQOSA-N 0 3 287.407 2.495 20 30 CEEDHN C[C@H](CCC#N)CN1CCN(Cc2cccc(O)c2)CC1 ZINC000602459565 347041386 /nfs/dbraw/zinc/04/13/86/347041386.db2.gz SRQFWXBUKJFDLV-OAHLLOKOSA-N 0 3 287.407 2.450 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)c2ccc(C#N)cn2)c1 ZINC000107448195 344260587 /nfs/dbraw/zinc/26/05/87/344260587.db2.gz BHJBFCYXUUTURF-UHFFFAOYSA-N 0 3 280.331 2.267 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)CC1CCC1 ZINC000111299249 344270865 /nfs/dbraw/zinc/27/08/65/344270865.db2.gz OPMPHHVGUOHOCN-ZDUSSCGKSA-N 0 3 250.386 2.307 20 30 CEEDHN CCN(CC)C(=O)[C@H]1CCCN1C[C@@H](C)CCC#N ZINC000602451737 347038912 /nfs/dbraw/zinc/03/89/12/347038912.db2.gz BQOVOIJLFHOGML-UONOGXRCSA-N 0 3 265.401 2.259 20 30 CEEDHN C[C@@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000130445552 344352867 /nfs/dbraw/zinc/35/28/67/344352867.db2.gz OHTUXMMDZPDZIB-MFKMUULPSA-N 0 3 250.367 2.355 20 30 CEEDHN C=CCCN(C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000132621880 344364465 /nfs/dbraw/zinc/36/44/65/344364465.db2.gz QFHHUTBYNAIYKX-UHFFFAOYSA-N 0 3 297.420 2.367 20 30 CEEDHN CC(C)(C)CCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000135634549 344382679 /nfs/dbraw/zinc/38/26/79/344382679.db2.gz UIFQALMAYBAFES-UHFFFAOYSA-N 0 3 294.420 2.358 20 30 CEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CC=CCC2)cc1 ZINC000163102830 344470046 /nfs/dbraw/zinc/47/00/46/344470046.db2.gz UYBTWPLRODGQLI-CQSZACIVSA-N 0 3 290.388 2.030 20 30 CEEDHN N#Cc1cc(CN2CCCCC[C@H]2CO)ccc1F ZINC000236503390 344595879 /nfs/dbraw/zinc/59/58/79/344595879.db2.gz WAGXNNBGHIWGPS-AWEZNQCLSA-N 0 3 262.328 2.434 20 30 CEEDHN Cc1ccc(C(=O)NCCNCc2ccc(C#N)cc2)cc1 ZINC000052042214 362462007 /nfs/dbraw/zinc/46/20/07/362462007.db2.gz CAWBOUDRKQHJIM-UHFFFAOYSA-N 0 3 293.370 2.386 20 30 CEEDHN CN(C)[C@@H](CNCc1cccc(C#N)n1)c1cccc(F)c1 ZINC000602505889 347060024 /nfs/dbraw/zinc/06/00/24/347060024.db2.gz WPMIVTJDWGZKKQ-KRWDZBQOSA-N 0 3 298.365 2.485 20 30 CEEDHN N#CCCCOc1cccc(CNCCn2cccn2)c1 ZINC000237819711 344604208 /nfs/dbraw/zinc/60/42/08/344604208.db2.gz MGZPAXYFLSFXOX-UHFFFAOYSA-N 0 3 284.363 2.355 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCC1CCc2ccccc2CC1 ZINC000602530224 347067923 /nfs/dbraw/zinc/06/79/23/347067923.db2.gz GABFMJZCTRYHLI-KRWDZBQOSA-N 0 3 299.418 2.319 20 30 CEEDHN CC[C@H](C#N)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309799113 344729797 /nfs/dbraw/zinc/72/97/97/344729797.db2.gz RHIPDJUXRIEUCD-CVEARBPZSA-N 0 3 285.391 2.269 20 30 CEEDHN C[C@H](CCC#N)CNCc1nccn1CC(F)(F)F ZINC000602534748 347069661 /nfs/dbraw/zinc/06/96/61/347069661.db2.gz JXXXDOOLXHTLGA-SNVBAGLBSA-N 0 3 274.290 2.475 20 30 CEEDHN C=CCCSCCNC(=O)[C@H](N)CCC(C)C ZINC000602524230 347066127 /nfs/dbraw/zinc/06/61/27/347066127.db2.gz CSHKKBHLAGSGAY-GFCCVEGCSA-N 0 3 258.431 2.175 20 30 CEEDHN C=CCSCCNCc1ccc(C(=O)OCC)[nH]1 ZINC000602547121 347071991 /nfs/dbraw/zinc/07/19/91/347071991.db2.gz ZWJHUMFDIPUULH-UHFFFAOYSA-N 0 3 268.382 2.200 20 30 CEEDHN N#Cc1cccc(CNCC2(CCO)CCCCC2)n1 ZINC000602562153 347078610 /nfs/dbraw/zinc/07/86/10/347078610.db2.gz HTIYKGLUUNTVNW-UHFFFAOYSA-N 0 3 273.380 2.376 20 30 CEEDHN N#CC[C@H]1CCCN(C[C@@H](O)COCc2ccccc2)C1 ZINC000397577774 344851572 /nfs/dbraw/zinc/85/15/72/344851572.db2.gz GOSJMFCDEAESFA-NVXWUHKLSA-N 0 3 288.391 2.190 20 30 CEEDHN C[C@@H]1CCN[C@H](C(=O)N2CCc3c(CC#N)cccc3C2)C1 ZINC000602573979 347084242 /nfs/dbraw/zinc/08/42/42/347084242.db2.gz PBSMGHWYBBGOGS-DYVFJYSZSA-N 0 3 297.402 2.025 20 30 CEEDHN CCN(CCOc1cccc(C#N)c1)[C@H]1CCCOC1 ZINC000402864072 344874204 /nfs/dbraw/zinc/87/42/04/344874204.db2.gz YYOSVRNIRIWLHF-HNNXBMFYSA-N 0 3 274.364 2.438 20 30 CEEDHN N#Cc1ccc(CN2CCCCC[C@H]2CO)cc1F ZINC000404117843 344878296 /nfs/dbraw/zinc/87/82/96/344878296.db2.gz GLNMAWZZMMNTJN-AWEZNQCLSA-N 0 3 262.328 2.434 20 30 CEEDHN N#Cc1cccc(CNCCC[C@H]2CCCC[C@@H]2O)n1 ZINC000602574853 347084758 /nfs/dbraw/zinc/08/47/58/347084758.db2.gz FNYBDBMXHPJKRH-CJNGLKHVSA-N 0 3 273.380 2.374 20 30 CEEDHN C=CCNC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000505739712 344924254 /nfs/dbraw/zinc/92/42/54/344924254.db2.gz KIPPESQCOOKPSV-NEPJUHHUSA-N 0 3 265.357 2.194 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(CC(C)C)CCC1 ZINC000491784801 344914245 /nfs/dbraw/zinc/91/42/45/344914245.db2.gz TYHFIBQSFQQSMT-UHFFFAOYSA-N 0 3 264.413 2.274 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000579242551 344951661 /nfs/dbraw/zinc/95/16/61/344951661.db2.gz AAPSCSRFTDVKFV-IUODEOHRSA-N 0 3 265.401 2.115 20 30 CEEDHN C=CCOCCN[C@@H](C)c1cc(C(=O)OC)cs1 ZINC000586793012 345022884 /nfs/dbraw/zinc/02/28/84/345022884.db2.gz POQILTCTUAOCST-JTQLQIEISA-N 0 3 269.366 2.388 20 30 CEEDHN N#CC1(CC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000590253634 345123154 /nfs/dbraw/zinc/12/31/54/345123154.db2.gz FBBIUSGKNAJXHD-INIZCTEOSA-N 0 3 297.402 2.461 20 30 CEEDHN CN(C)C[C@H]1CCCN1C(=O)CCCCCC#N ZINC000589835828 345100768 /nfs/dbraw/zinc/10/07/68/345100768.db2.gz NPEFGPQFUSFRNG-CYBMUJFWSA-N 0 3 251.374 2.013 20 30 CEEDHN CC(C)(C#N)c1ccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000590005732 345109218 /nfs/dbraw/zinc/10/92/18/345109218.db2.gz JGLSPLGCEYITHR-ZSHCYNCHSA-N 0 3 270.376 2.158 20 30 CEEDHN N#Cc1cc(CN2CCC3(CCC(O)CC3)CC2)ccn1 ZINC000590746085 345172907 /nfs/dbraw/zinc/17/29/07/345172907.db2.gz RJTCJXXFFGGYGI-UHFFFAOYSA-N 0 3 285.391 2.470 20 30 CEEDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(C#N)cc1C ZINC000590345263 345130382 /nfs/dbraw/zinc/13/03/82/345130382.db2.gz YRQVYDDNGVZYLE-OAHLLOKOSA-N 0 3 285.391 2.423 20 30 CEEDHN CCOCCN(C)CCCOc1cccc(C#N)c1 ZINC000127378669 187301147 /nfs/dbraw/zinc/30/11/47/187301147.db2.gz DGXNCCYGPZMCGW-UHFFFAOYSA-N 0 3 262.353 2.295 20 30 CEEDHN CC(C)(CC#N)CNC(=O)Nc1cccc(CN)c1 ZINC000591309844 345238710 /nfs/dbraw/zinc/23/87/10/345238710.db2.gz KDIRIJKYBDNMRE-UHFFFAOYSA-N 0 3 260.341 2.207 20 30 CEEDHN CN(C)CCN(Cc1ccsc1)C(=O)CC1(C#N)CC1 ZINC000590920375 345199730 /nfs/dbraw/zinc/19/97/30/345199730.db2.gz YTARZHRTVSBISN-UHFFFAOYSA-N 0 3 291.420 2.332 20 30 CEEDHN C[C@@H](CCC#N)N1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000591029785 345213670 /nfs/dbraw/zinc/21/36/70/345213670.db2.gz JZXMTXJBIRGSTJ-BLLLJJGKSA-N 0 3 269.348 2.274 20 30 CEEDHN CN(C)CC1(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCC1 ZINC000591079893 345217730 /nfs/dbraw/zinc/21/77/30/345217730.db2.gz WAZWVZJQPFORGX-JKSUJKDBSA-N 0 3 297.402 2.262 20 30 CEEDHN CC(C)(CCNC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000591601998 345268878 /nfs/dbraw/zinc/26/88/78/345268878.db2.gz OSHCGBZOUPTCTP-OAHLLOKOSA-N 0 3 287.407 2.492 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC(C2CCCC2)CC1 ZINC000591621069 345270381 /nfs/dbraw/zinc/27/03/81/345270381.db2.gz LQBNEOYHJVJZIP-HNNXBMFYSA-N 0 3 277.412 2.436 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2-n2cncn2)C1 ZINC000591639736 345272005 /nfs/dbraw/zinc/27/20/05/345272005.db2.gz HPQLGDUNKBFHSY-OCCSQVGLSA-N 0 3 267.336 2.049 20 30 CEEDHN CC(C)COC[C@H](O)CNCc1ccc(C#N)c(Cl)c1 ZINC000591765787 345279089 /nfs/dbraw/zinc/27/90/89/345279089.db2.gz HVNTWJBMABNJCG-CQSZACIVSA-N 0 3 296.798 2.335 20 30 CEEDHN N#Cc1cnn2cc(CN[C@@H]3CCCC(F)(F)C3)cnc12 ZINC000592503917 345361881 /nfs/dbraw/zinc/36/18/81/345361881.db2.gz KIQVYQBLBAODLT-GFCCVEGCSA-N 0 3 291.305 2.268 20 30 CEEDHN C[C@H](Cc1ccsc1)N1CC[C@](O)(CC#N)C1 ZINC000592522884 345366225 /nfs/dbraw/zinc/36/62/25/345366225.db2.gz SLPOKSCYEFKBSR-DGCLKSJQSA-N 0 3 250.367 2.030 20 30 CEEDHN COC(=O)[C@@H]1CN(Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000592128287 345326597 /nfs/dbraw/zinc/32/65/97/345326597.db2.gz QPAZKVFDOSQPCF-IUODEOHRSA-N 0 3 272.348 2.108 20 30 CEEDHN COCCN1CCN(CCCC(C)(C)C#N)C(C)(C)C1 ZINC000593101794 345439839 /nfs/dbraw/zinc/43/98/39/345439839.db2.gz UADXAGXWIHXEGO-UHFFFAOYSA-N 0 3 281.444 2.359 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000593505322 345499806 /nfs/dbraw/zinc/49/98/06/345499806.db2.gz LQNNWTGXWNXTQV-SCRDCRAPSA-N 0 3 288.347 2.203 20 30 CEEDHN CN(CCN1CCCCC1)c1ncc(C#N)cc1F ZINC000593516708 345501898 /nfs/dbraw/zinc/50/18/98/345501898.db2.gz QKKAYYQWYFGUQA-UHFFFAOYSA-N 0 3 262.332 2.014 20 30 CEEDHN CCOC(=O)CN(Cc1ccccc1)C(=O)C(C#N)CC ZINC000593424451 345483151 /nfs/dbraw/zinc/48/31/51/345483151.db2.gz HAUCWQSURRVZLL-AWEZNQCLSA-N 0 3 288.347 2.128 20 30 CEEDHN N#Cc1cccc(CN2CCC(NCc3ncc[nH]3)CC2)c1 ZINC000593693013 345522006 /nfs/dbraw/zinc/52/20/06/345522006.db2.gz LVXJPHNAROMFDL-UHFFFAOYSA-N 0 3 295.390 2.036 20 30 CEEDHN N#Cc1cccc(CN2CCC(NCc3cc[nH]n3)CC2)c1 ZINC000593693077 345522343 /nfs/dbraw/zinc/52/23/43/345522343.db2.gz NYVHFYMKAZEYDR-UHFFFAOYSA-N 0 3 295.390 2.036 20 30 CEEDHN C[C@@H](NCC[C@@]1(O)CCCOC1)c1ccc(C#N)c(F)c1 ZINC000593722755 345528061 /nfs/dbraw/zinc/52/80/61/345528061.db2.gz YNUAPDOGLBIVSQ-WBMJQRKESA-N 0 3 292.354 2.280 20 30 CEEDHN CCC(C#N)C(=O)N(C)[C@@H](CC)C(=O)OC(C)(C)C ZINC000593887252 345548184 /nfs/dbraw/zinc/54/81/84/345548184.db2.gz QUPFQISKRIHTAK-MNOVXSKESA-N 0 3 268.357 2.115 20 30 CEEDHN CC(C#N)C(=O)N1CCc2ccc(F)cc2[C@H](C)C1 ZINC000593887204 345548265 /nfs/dbraw/zinc/54/82/65/345548265.db2.gz PQPNIAHOVIBPTI-WDEREUQCSA-N 0 3 260.312 2.474 20 30 CEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCCC#N ZINC000593989601 345561360 /nfs/dbraw/zinc/56/13/60/345561360.db2.gz SWZFVPXTAWSKOW-KGLIPLIRSA-N 0 3 263.385 2.156 20 30 CEEDHN CN(CCOCCC#N)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594035797 345570675 /nfs/dbraw/zinc/57/06/75/345570675.db2.gz WCMAISMOCRJSHN-UHFFFAOYSA-N 0 3 298.289 2.370 20 30 CEEDHN CCN1CCC(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000594216897 345599418 /nfs/dbraw/zinc/59/94/18/345599418.db2.gz XSDGZZMXCZVSSR-AWEZNQCLSA-N 0 3 299.418 2.337 20 30 CEEDHN CN(C)CCN(Cc1ccccn1)C(=O)CCCCC#N ZINC000594281109 345607947 /nfs/dbraw/zinc/60/79/47/345607947.db2.gz AUIWFXCETXBYSO-UHFFFAOYSA-N 0 3 288.395 2.056 20 30 CEEDHN CC(C)(C#N)c1ccc(CNCCNC(=O)C2CC2)cc1 ZINC000594493229 345637518 /nfs/dbraw/zinc/63/75/18/345637518.db2.gz IAYPFVDIQJTKKO-UHFFFAOYSA-N 0 3 285.391 2.104 20 30 CEEDHN CS[C@@H]1CN(C(=O)CCCCC#N)C[C@H]1N1CCCC1 ZINC000594340161 345614046 /nfs/dbraw/zinc/61/40/46/345614046.db2.gz ZRZLWPBAZATOQY-ZIAGYGMSSA-N 0 3 295.452 2.109 20 30 CEEDHN CC(C#N)C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594403191 345622039 /nfs/dbraw/zinc/62/20/39/345622039.db2.gz GNSXUACSCUAIBJ-LLVKDONJSA-N 0 3 253.305 2.213 20 30 CEEDHN COc1ccccc1CN(C)C(=O)[C@H](N)CCCCC#N ZINC000594425711 345625851 /nfs/dbraw/zinc/62/58/51/345625851.db2.gz LXKLHIXNVGKNSH-CQSZACIVSA-N 0 3 289.379 2.065 20 30 CEEDHN Cc1cccc(N(C)C(=O)[C@@H](N)CCCCC#N)c1 ZINC000594429507 345627802 /nfs/dbraw/zinc/62/78/02/345627802.db2.gz QSIDWXSXNYCZSB-AWEZNQCLSA-N 0 3 259.353 2.369 20 30 CEEDHN CCN(CCc1ccccc1)C(=O)[C@H](N)CCCCC#N ZINC000594429087 345628053 /nfs/dbraw/zinc/62/80/53/345628053.db2.gz QPRNAWVQSQJZPR-MRXNPFEDSA-N 0 3 287.407 2.489 20 30 CEEDHN C[C@H]1CCCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594434093 345629101 /nfs/dbraw/zinc/62/91/01/345629101.db2.gz KNRRYYNJZYQYKD-STQMWFEESA-N 0 3 251.374 2.189 20 30 CEEDHN Cc1cc(C)cc(CCNC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594433761 345629366 /nfs/dbraw/zinc/62/93/66/345629366.db2.gz SGKMLNYRCBWJGJ-INIZCTEOSA-N 0 3 287.407 2.373 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CC12CCCCC2 ZINC000594435906 345629733 /nfs/dbraw/zinc/62/97/33/345629733.db2.gz GFFHBJFFCKUVSY-STQMWFEESA-N 0 3 263.385 2.237 20 30 CEEDHN Cc1nc2cc(NC(=O)[C@H](N)CCCCC#N)ccc2n1C ZINC000594438912 345630352 /nfs/dbraw/zinc/63/03/52/345630352.db2.gz MWRNHPLBUXRDMC-CYBMUJFWSA-N 0 3 299.378 2.232 20 30 CEEDHN CCc1nc(CN(C)C(=O)[C@@H](N)CCCCC#N)cs1 ZINC000594438576 345630661 /nfs/dbraw/zinc/63/06/61/345630661.db2.gz OLEDTXJQTKEEDS-LBPRGKRZSA-N 0 3 294.424 2.075 20 30 CEEDHN CC1(CNC(=O)[C@H](N)CCCCC#N)Cc2ccccc2C1 ZINC000594438760 345630675 /nfs/dbraw/zinc/63/06/75/345630675.db2.gz WWGFMTZVWFMQMD-MRXNPFEDSA-N 0 3 299.418 2.319 20 30 CEEDHN Cc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1O ZINC000594438110 345630715 /nfs/dbraw/zinc/63/07/15/345630715.db2.gz GRAGJIHIORZUAA-NSHDSACASA-N 0 3 261.325 2.050 20 30 CEEDHN CN(C)c1ccccc1NC(=O)[C@H](N)CCCCC#N ZINC000594441799 345631071 /nfs/dbraw/zinc/63/10/71/345631071.db2.gz WYSCYDHOWWJXIS-GFCCVEGCSA-N 0 3 274.368 2.102 20 30 CEEDHN CCC1(C)CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594440376 345631192 /nfs/dbraw/zinc/63/11/92/345631192.db2.gz YMKPOXSWVZTJRS-CYBMUJFWSA-N 0 3 265.401 2.436 20 30 CEEDHN CC(C)(CNC(=O)[C@H](N)CCCCC#N)[C@@H]1CCCCO1 ZINC000594445725 345632592 /nfs/dbraw/zinc/63/25/92/345632592.db2.gz KQSRXTMZBXVAFR-KGLIPLIRSA-N 0 3 295.427 2.109 20 30 CEEDHN CC(C)[C@@H]1CCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594445064 345632823 /nfs/dbraw/zinc/63/28/23/345632823.db2.gz OQPGHROEGFKHIF-KBPBESRZSA-N 0 3 265.401 2.435 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC1(c2ccccc2F)CC1 ZINC000594447842 345633291 /nfs/dbraw/zinc/63/32/91/345633291.db2.gz VMIFWTYYLMEZMS-CQSZACIVSA-N 0 3 289.354 2.342 20 30 CEEDHN CCSCC[C@@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594448074 345633467 /nfs/dbraw/zinc/63/34/67/345633467.db2.gz ZTXUUMBYLWORBB-VXGBXAGGSA-N 0 3 271.430 2.046 20 30 CEEDHN CCSCC[C@@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000594448068 345633486 /nfs/dbraw/zinc/63/34/86/345633486.db2.gz ZTXUUMBYLWORBB-NEPJUHHUSA-N 0 3 271.430 2.046 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(C(=O)OC)oc1C ZINC000594605735 345659147 /nfs/dbraw/zinc/65/91/47/345659147.db2.gz BVZDXYJCVFYJNS-SWLSCSKDSA-N 0 3 293.363 2.445 20 30 CEEDHN C[C@H](N[C@@H]1CCc2c(nnn2C)C1)c1ccc(C#N)cc1F ZINC000594519107 345643189 /nfs/dbraw/zinc/64/31/89/345643189.db2.gz CZLUCWQVBXYDDX-CMPLNLGQSA-N 0 3 299.353 2.034 20 30 CEEDHN N#Cc1nc(N[C@H]2CCCN3CCCC[C@@H]23)ccc1Cl ZINC000594596653 345655514 /nfs/dbraw/zinc/65/55/14/345655514.db2.gz AXEJTRIOPMERMK-JSGCOSHPSA-N 0 3 290.798 2.457 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2cccnc2N2CCCC2)C1 ZINC000595072297 345739424 /nfs/dbraw/zinc/73/94/24/345739424.db2.gz RHXUTBNRXCSUFU-ZFWWWQNUSA-N 0 3 270.380 2.464 20 30 CEEDHN CS(=O)(=O)C1(CN[C@@H]2CC[C@H](C#N)C2)CCCCC1 ZINC000595078004 345740107 /nfs/dbraw/zinc/74/01/07/345740107.db2.gz RJVPEHMUILNQCK-QWHCGFSZSA-N 0 3 284.425 2.016 20 30 CEEDHN CC1(C)CN(C(=O)[C@H](N)CCCC#N)CCc2ccccc21 ZINC000595255570 345749641 /nfs/dbraw/zinc/74/96/41/345749641.db2.gz FNNBBVZHNJTFPF-MRXNPFEDSA-N 0 3 299.418 2.370 20 30 CEEDHN Cc1ccc2c(c1)CN(C(=O)[C@H](N)CCCCC#N)CC2 ZINC000595257769 345750111 /nfs/dbraw/zinc/75/01/11/345750111.db2.gz WMEKMAYTESGLFY-MRXNPFEDSA-N 0 3 285.391 2.291 20 30 CEEDHN N#CC1(CNC(=O)c2ccc3c(c2)CNC3)CCCCC1 ZINC000595258150 345750164 /nfs/dbraw/zinc/75/01/64/345750164.db2.gz LQSDFZGOIGMXHB-UHFFFAOYSA-N 0 3 283.375 2.494 20 30 CEEDHN CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](N)CCCCC#N ZINC000595260288 345750926 /nfs/dbraw/zinc/75/09/26/345750926.db2.gz ZDTAGUDUBOXQLD-WTUNAVPPSA-N 0 3 263.385 2.187 20 30 CEEDHN CO[C@@H](CN(C)Cc1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000595289923 345755070 /nfs/dbraw/zinc/75/50/70/345755070.db2.gz RLEHHMNPMGIWQG-CVEARBPZSA-N 0 3 274.364 2.042 20 30 CEEDHN N#Cc1ccc(CCN2CCN(CC3CC3)CC2)cc1 ZINC000595293967 345755997 /nfs/dbraw/zinc/75/59/97/345755997.db2.gz VPRXCKHVPQPEOL-UHFFFAOYSA-N 0 3 269.392 2.128 20 30 CEEDHN N#CC1(c2ccc(CN[C@H]3CCCCNC3=O)cc2)CC1 ZINC000594915425 345699993 /nfs/dbraw/zinc/69/99/93/345699993.db2.gz UJQIBWUPLGERMC-HNNXBMFYSA-N 0 3 283.375 2.000 20 30 CEEDHN CC[C@@H]1C[C@H](NCCOc2ccc(C#N)cc2)CO1 ZINC000594929984 345706092 /nfs/dbraw/zinc/70/60/92/345706092.db2.gz QYXHFNCIAMKKQQ-UONOGXRCSA-N 0 3 260.337 2.094 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@]1(O)CCCOC1 ZINC000595297442 345756679 /nfs/dbraw/zinc/75/66/79/345756679.db2.gz ULWJNQIFRXYOFU-KRWDZBQOSA-N 0 3 286.375 2.088 20 30 CEEDHN N#CC1(c2ccc(CN[C@@H]3CC(=O)N(C4CC4)C3)cc2)CC1 ZINC000594939624 345710896 /nfs/dbraw/zinc/71/08/96/345710896.db2.gz NWPMOJSRBZGMNR-OAHLLOKOSA-N 0 3 295.386 2.095 20 30 CEEDHN C[S@](=O)[C@H]1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000594962409 345717779 /nfs/dbraw/zinc/71/77/79/345717779.db2.gz RHZFFUDZNSKILA-IMQJOWEQSA-N 0 3 282.434 2.399 20 30 CEEDHN C[S@](=O)[C@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000594963408 345718014 /nfs/dbraw/zinc/71/80/14/345718014.db2.gz VBUCGKZMDRXTTA-YRVVQQKDSA-N 0 3 294.395 2.477 20 30 CEEDHN N#Cc1cccc(CNCCO[C@@H]2CC2(F)F)c1 ZINC000594971264 345719765 /nfs/dbraw/zinc/71/97/65/345719765.db2.gz ZCJNKLZJHMZQGI-GFCCVEGCSA-N 0 3 252.264 2.072 20 30 CEEDHN N#CCCCOc1cccc(CNC/C=C\CO)c1 ZINC000594974482 345720366 /nfs/dbraw/zinc/72/03/66/345720366.db2.gz KBWJXHJDKPBDQH-IHWYPQMZSA-N 0 3 260.337 2.007 20 30 CEEDHN N#Cc1ccc(CN[C@H]2COC3(CCC3)C2)cc1F ZINC000594973456 345720431 /nfs/dbraw/zinc/72/04/31/345720431.db2.gz BZGNMYSSOBRCHX-CYBMUJFWSA-N 0 3 260.312 2.499 20 30 CEEDHN N#Cc1ccc2ncc(CNCC3=CCCC3)n2c1 ZINC000594989097 345722595 /nfs/dbraw/zinc/72/25/95/345722595.db2.gz GUOBRNWMCDNPSA-UHFFFAOYSA-N 0 3 252.321 2.406 20 30 CEEDHN C[C@H](NCCc1ccc(C#N)cc1)c1ccnn1C ZINC000595058184 345736718 /nfs/dbraw/zinc/73/67/18/345736718.db2.gz YYUMYSPHPCRUKA-LBPRGKRZSA-N 0 3 254.337 2.185 20 30 CEEDHN N#Cc1ccc(CCN2CCC(O)(C(F)F)CC2)cc1 ZINC000595449267 345785549 /nfs/dbraw/zinc/78/55/49/345785549.db2.gz OMTPJDIWOXSVLF-UHFFFAOYSA-N 0 3 280.318 2.193 20 30 CEEDHN C[C@@](CO)(NCCc1ccc(C#N)cc1)c1cccc(O)c1 ZINC000595497404 345795760 /nfs/dbraw/zinc/79/57/60/345795760.db2.gz OARBKZURPVVVNQ-SFHVURJKSA-N 0 3 296.370 2.304 20 30 CEEDHN CC(C)(CO)[C@@H](NCCCSCC#N)c1cccnc1 ZINC000595501076 345796521 /nfs/dbraw/zinc/79/65/21/345796521.db2.gz RUSMWENYLFMYRM-AWEZNQCLSA-N 0 3 293.436 2.378 20 30 CEEDHN N#Cc1ccncc1N1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000595502612 345797448 /nfs/dbraw/zinc/79/74/48/345797448.db2.gz UHOZUCPBOLAYGJ-RBVVOMGSSA-N 0 3 282.391 2.121 20 30 CEEDHN CC[C@H]1CN(C)CCN1CCc1ccc(C#N)cc1 ZINC000595504345 345797718 /nfs/dbraw/zinc/79/77/18/345797718.db2.gz CEVREMZCMJNLLN-INIZCTEOSA-N 0 3 257.381 2.127 20 30 CEEDHN N#Cc1c(F)cccc1CNC1(CCO)CCCC1 ZINC000595509730 345799179 /nfs/dbraw/zinc/79/91/79/345799179.db2.gz UNSLXQPEBBAHSS-UHFFFAOYSA-N 0 3 262.328 2.482 20 30 CEEDHN C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1C)C(=O)NC1(C#N)CCC1 ZINC000595707364 345856252 /nfs/dbraw/zinc/85/62/52/345856252.db2.gz MKJQGAPITOZXFP-HEHGZKQESA-N 0 3 297.402 2.255 20 30 CEEDHN COCCSCCCN1CCC[C@H](CC#N)C1 ZINC000595623979 345831310 /nfs/dbraw/zinc/83/13/10/345831310.db2.gz ZWBAFAXOLWDSPT-CYBMUJFWSA-N 0 3 256.415 2.382 20 30 CEEDHN COC(=O)C(C)(C)CCN1CCC[C@@H](CC#N)C1 ZINC000595623655 345831353 /nfs/dbraw/zinc/83/13/53/345831353.db2.gz WHNVHKUJBGSHKN-LBPRGKRZSA-N 0 3 252.358 2.201 20 30 CEEDHN C=CCN(CCOc1ccccc1[N+](=O)[O-])[C@@H](C)COC ZINC000595648307 345837647 /nfs/dbraw/zinc/83/76/47/345837647.db2.gz SJMRJMMIRMJRGD-ZDUSSCGKSA-N 0 3 294.351 2.497 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC(CC#N)CC1 ZINC000595662253 345841131 /nfs/dbraw/zinc/84/11/31/345841131.db2.gz GPSHFXRXKOMECO-CQSZACIVSA-N 0 3 292.427 2.194 20 30 CEEDHN COc1ccc(CN2CC[C@H]3COC[C@@H]3C2)cc1C#N ZINC000595829844 345888504 /nfs/dbraw/zinc/88/85/04/345888504.db2.gz IUFHWOYFUOXOJF-ZFWWWQNUSA-N 0 3 272.348 2.035 20 30 CEEDHN C=CCN(CC(=O)N(CC)C[C@@H](C)C#N)C(C)(C)C ZINC000595766089 345871122 /nfs/dbraw/zinc/87/11/22/345871122.db2.gz RSGVDCKDGOLZNW-ZDUSSCGKSA-N 0 3 265.401 2.281 20 30 CEEDHN Cn1cc(C[C@@H]2CCC[C@H]2NCC2(C#N)CCC2)cn1 ZINC000595771982 345872476 /nfs/dbraw/zinc/87/24/76/345872476.db2.gz RHGNSYCEZDKFHS-LSDHHAIUSA-N 0 3 272.396 2.415 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)N1CC[C@](C)(C#N)C1 ZINC000595785971 345875990 /nfs/dbraw/zinc/87/59/90/345875990.db2.gz ONHIEXWVDXGGMM-GOEBONIOSA-N 0 3 292.427 2.052 20 30 CEEDHN CCN1CCC[C@@H]1CNc1nc2ncccc2cc1C#N ZINC000596049165 345927562 /nfs/dbraw/zinc/92/75/62/345927562.db2.gz FSWBSJUBXMUSNU-CQSZACIVSA-N 0 3 281.363 2.398 20 30 CEEDHN CN(CC(=O)NCc1cccc(C#N)c1)C[C@H]1CC1(C)C ZINC000595910007 345911569 /nfs/dbraw/zinc/91/15/69/345911569.db2.gz ASNXKKUTIVOBQU-OAHLLOKOSA-N 0 3 285.391 2.152 20 30 CEEDHN C=CCCSCCNC(=O)c1cccc2c1CNC2 ZINC000595938986 345915543 /nfs/dbraw/zinc/91/55/43/345915543.db2.gz CHLOMECSWVROMA-UHFFFAOYSA-N 0 3 276.405 2.329 20 30 CEEDHN CN(C)CCN(Cc1cccc(F)c1)c1cc(C#N)cnn1 ZINC000596158343 345955170 /nfs/dbraw/zinc/95/51/70/345955170.db2.gz VNJVCGASSIJCHG-UHFFFAOYSA-N 0 3 299.353 2.056 20 30 CEEDHN N#Cc1ccc(Cl)cc1NCCCN1CCC(O)CC1 ZINC000596084614 345936086 /nfs/dbraw/zinc/93/60/86/345936086.db2.gz DLFDWULBHWJJAK-UHFFFAOYSA-N 0 3 293.798 2.470 20 30 CEEDHN Cc1ccc2ncc(C#N)c(N[C@H]3CCN(C4CC4)C3)c2c1 ZINC000596091356 345937937 /nfs/dbraw/zinc/93/79/37/345937937.db2.gz IVOWYXVGZNYLJY-AWEZNQCLSA-N 0 3 292.386 2.485 20 30 CEEDHN CCN(C(=O)NCC(C)(C)CC#N)[C@H]1CCN(CC)C1 ZINC000596623874 346067329 /nfs/dbraw/zinc/06/73/29/346067329.db2.gz JRMDJANWKLKCRL-ZDUSSCGKSA-N 0 3 280.416 2.052 20 30 CEEDHN CCN(C(=O)NCC1(C#N)CCCC1)[C@@H]1CCN(CC)C1 ZINC000596644216 346071008 /nfs/dbraw/zinc/07/10/08/346071008.db2.gz ZOIOVMQCHMMSRR-CQSZACIVSA-N 0 3 292.427 2.196 20 30 CEEDHN N#CC[C@@H]1CCCN(Cc2ccccc2-n2cncn2)C1 ZINC000597173871 346140911 /nfs/dbraw/zinc/14/09/11/346140911.db2.gz MINXSAMQJBTKPV-AWEZNQCLSA-N 0 3 281.363 2.393 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)[C@@H](C)CC#N)N(C)C)cc1 ZINC000596972113 346110949 /nfs/dbraw/zinc/11/09/49/346110949.db2.gz SCBCHDXBXOFDCD-ZFWWWQNUSA-N 0 3 273.380 2.264 20 30 CEEDHN C[C@H](CC#N)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000597025558 346116784 /nfs/dbraw/zinc/11/67/84/346116784.db2.gz FJOIQNGXFBIHMF-GFCCVEGCSA-N 0 3 275.352 2.115 20 30 CEEDHN COc1cc(CN[C@@H]2CO[C@@H](C3CC3)C2)ccc1C#N ZINC000597133494 346133402 /nfs/dbraw/zinc/13/34/02/346133402.db2.gz UIIULXZWBVJOAL-GOEBONIOSA-N 0 3 272.348 2.224 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000597524506 346198564 /nfs/dbraw/zinc/19/85/64/346198564.db2.gz ZCZACSWXTRRMJI-NFAWXSAZSA-N 0 3 273.380 2.344 20 30 CEEDHN CN1CC[C@@]2(CCN(C(=O)CC3(C#N)CCCCC3)C2)C1 ZINC000597686845 346214947 /nfs/dbraw/zinc/21/49/47/346214947.db2.gz MBWCQONLXRVTIY-QGZVFWFLSA-N 0 3 289.423 2.405 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1nc2ccccc2nc1C ZINC000451598361 539531587 /nfs/dbraw/zinc/53/15/87/539531587.db2.gz KMTPJTCDYQRRJT-ZBFHGGJFSA-N 0 3 269.348 2.371 20 30 CEEDHN CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CCN(C)C1 ZINC000597947259 346256112 /nfs/dbraw/zinc/25/61/12/346256112.db2.gz WUMJTQRYKXPCDI-ZDUSSCGKSA-N 0 3 291.782 2.378 20 30 CEEDHN CCN(C(=O)c1ccc(C#N)cc1C)[C@@H]1CCN(CC)C1 ZINC000598038617 346273396 /nfs/dbraw/zinc/27/33/96/346273396.db2.gz FGRJHFMVCUCFJK-OAHLLOKOSA-N 0 3 285.391 2.423 20 30 CEEDHN N#Cc1cccc(CN2CCCN(C3CC3)CC2)c1 ZINC000061041042 362674797 /nfs/dbraw/zinc/67/47/97/362674797.db2.gz OQHRLWPHNIYWAU-UHFFFAOYSA-N 0 3 255.365 2.228 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1sccc1C#N ZINC000598265550 346316570 /nfs/dbraw/zinc/31/65/70/346316570.db2.gz UKQZWOJDVTZQOC-LBPRGKRZSA-N 0 3 291.420 2.470 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc2cccnc2c1 ZINC000602586502 347090253 /nfs/dbraw/zinc/09/02/53/347090253.db2.gz RYESQONUGXTAFI-OAHLLOKOSA-N 0 3 296.374 2.262 20 30 CEEDHN CCC(C#N)C(=O)NC[C@@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000598582134 346377377 /nfs/dbraw/zinc/37/73/77/346377377.db2.gz KJKGQXYAWMDKRL-DGCLKSJQSA-N 0 3 294.395 2.410 20 30 CEEDHN CN(CCOc1ccccc1F)C[C@H](O)CC(C)(C)C#N ZINC000598587388 346378852 /nfs/dbraw/zinc/37/88/52/346378852.db2.gz PRIVWELKDGYCBO-CYBMUJFWSA-N 0 3 294.370 2.437 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H](OCC2CC2)C1 ZINC000598608789 346383226 /nfs/dbraw/zinc/38/32/26/346383226.db2.gz POXIZYMPFCTZBA-HUUCEWRRSA-N 0 3 280.412 2.178 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000598616017 346384400 /nfs/dbraw/zinc/38/44/00/346384400.db2.gz JEKYJIZOCVKTIU-MJBXVCDLSA-N 0 3 280.412 2.177 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000598621290 346386131 /nfs/dbraw/zinc/38/61/31/346386131.db2.gz JGVJHRCXZBOQJC-OWCLPIDISA-N 0 3 288.391 2.095 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@H](Oc2ccccc2)C1 ZINC000598624412 346386725 /nfs/dbraw/zinc/38/67/25/346386725.db2.gz GYYPRNQIBJETMF-HOCLYGCPSA-N 0 3 288.391 2.440 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCc1cccc(F)c1 ZINC000598699518 346403175 /nfs/dbraw/zinc/40/31/75/346403175.db2.gz FMVWCBVCUNORQM-CYBMUJFWSA-N 0 3 250.317 2.216 20 30 CEEDHN COc1ccc(F)c(CNC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598730073 346410927 /nfs/dbraw/zinc/41/09/27/346410927.db2.gz QUHWBVYUVXWTMX-LBPRGKRZSA-N 0 3 280.343 2.225 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1 ZINC000599002282 346444613 /nfs/dbraw/zinc/44/46/13/346444613.db2.gz HOHZZQKTYDZGIR-WBVHZDCISA-N 0 3 295.342 2.279 20 30 CEEDHN COc1ccc(C#N)cc1N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000602592762 347091408 /nfs/dbraw/zinc/09/14/08/347091408.db2.gz SYDCQZHRMYALEK-WCQYABFASA-N 0 3 259.353 2.461 20 30 CEEDHN CC(C)(CC#N)CNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000599072888 346455861 /nfs/dbraw/zinc/45/58/61/346455861.db2.gz BHQKMZNQVKJHHQ-AWEZNQCLSA-N 0 3 292.427 2.242 20 30 CEEDHN Cc1noc([C@H]2OCC[C@H]2N[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000599093230 346459240 /nfs/dbraw/zinc/45/92/40/346459240.db2.gz ROKDHWKUHUUROF-VQISRLSMSA-N 0 3 298.346 2.431 20 30 CEEDHN CN(C(=O)c1cccc2c1CNC2)[C@H]1CCC[C@@H]1C#N ZINC000602597325 347093742 /nfs/dbraw/zinc/09/37/42/347093742.db2.gz BBXDLZJSQVGMDO-ABAIWWIYSA-N 0 3 269.348 2.054 20 30 CEEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc(O)c1 ZINC000599349689 346503807 /nfs/dbraw/zinc/50/38/07/346503807.db2.gz QHIWKJZXIMWQIZ-RISCZKNCSA-N 0 3 260.337 2.098 20 30 CEEDHN COCC[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(C)o1 ZINC000599359129 346506502 /nfs/dbraw/zinc/50/65/02/346506502.db2.gz OVZYNENSESLMQR-UONOGXRCSA-N 0 3 292.379 2.310 20 30 CEEDHN CCO[C@H]1COCC[C@H]1NCc1ccc(C)c(C#N)c1 ZINC000599372295 346509225 /nfs/dbraw/zinc/50/92/25/346509225.db2.gz YRIBMUIKDJPNOE-CVEARBPZSA-N 0 3 274.364 2.150 20 30 CEEDHN Cc1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)cc1C#N ZINC000599455700 346524083 /nfs/dbraw/zinc/52/40/83/346524083.db2.gz UHPDWRBVFOQKDQ-ZBFHGGJFSA-N 0 3 256.349 2.478 20 30 CEEDHN CCN1CCN(Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599340388 346502089 /nfs/dbraw/zinc/50/20/89/346502089.db2.gz VCGKMWTYSAFVQR-AWEZNQCLSA-N 0 3 257.381 2.393 20 30 CEEDHN Cc1ccc(CN2CC[C@H]3COC[C@@H]3C2)cc1C#N ZINC000599475203 346526162 /nfs/dbraw/zinc/52/61/62/346526162.db2.gz JBWXWMMVUQOLFD-HOCLYGCPSA-N 0 3 256.349 2.335 20 30 CEEDHN COc1ccc(CN(C)CC2(C)COC2)cc1C#N ZINC000599571748 346540762 /nfs/dbraw/zinc/54/07/62/346540762.db2.gz UFLBVYCHNSJZQD-UHFFFAOYSA-N 0 3 260.337 2.035 20 30 CEEDHN Cc1noc([C@@H]2OCC[C@@H]2NCCCC(C)(C)C#N)n1 ZINC000599684964 346564998 /nfs/dbraw/zinc/56/49/98/346564998.db2.gz KMNKKMVLIJEGQR-NWDGAFQWSA-N 0 3 278.356 2.128 20 30 CEEDHN C[C@@H]1CC(F)(F)CCN1C[C@@H](O)CC(C)(C)C#N ZINC000599628488 346548842 /nfs/dbraw/zinc/54/88/42/346548842.db2.gz UKZFDLNZLRKDCL-MNOVXSKESA-N 0 3 260.328 2.407 20 30 CEEDHN COC(=O)CC1CCC(NCC(C)(C)C#N)CC1 ZINC000600144838 346605728 /nfs/dbraw/zinc/60/57/28/346605728.db2.gz OGQRTJBUKNXCDZ-UHFFFAOYSA-N 0 3 252.358 2.248 20 30 CEEDHN COC(=O)C1C[C@H](C)N(CCCSCC#N)[C@@H](C)C1 ZINC000599689347 346567387 /nfs/dbraw/zinc/56/73/87/346567387.db2.gz PHUDQOUIVVVGCS-RYUDHWBXSA-N 0 3 284.425 2.295 20 30 CEEDHN C[C@@H](CNC(=O)C1(C#N)CC2(CC2)C1)N1CCCC[C@H]1C ZINC000600996553 346728644 /nfs/dbraw/zinc/72/86/44/346728644.db2.gz CDLZVQLFBUDMJD-KGLIPLIRSA-N 0 3 289.423 2.449 20 30 CEEDHN N#C[C@H]1CC[C@H](n2cc(CNC3CCCC3)nn2)C1 ZINC000600973744 346723644 /nfs/dbraw/zinc/72/36/44/346723644.db2.gz QWPBXAFVIZGFMJ-FZMZJTMJSA-N 0 3 259.357 2.175 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@@H]2CCCc3occc32)CC1 ZINC000600720351 346677574 /nfs/dbraw/zinc/67/75/74/346677574.db2.gz YOKRLJRQGLVHKD-WCQYABFASA-N 0 3 260.337 2.301 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@H]2COc3ccc(Cl)cc32)CC1 ZINC000600731292 346680276 /nfs/dbraw/zinc/68/02/76/346680276.db2.gz QPVXACKETMFGOZ-YPMHNXCESA-N 0 3 292.766 2.418 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)c2cc(C#N)nc(C3CC3)n2)C1 ZINC000601173259 346777846 /nfs/dbraw/zinc/77/78/46/346777846.db2.gz USHARIZUJZFTOR-CQSZACIVSA-N 0 3 285.395 2.145 20 30 CEEDHN CN(CC(=O)NCc1cccc(C#N)c1)CC(C)(C)C ZINC000339253487 215042439 /nfs/dbraw/zinc/04/24/39/215042439.db2.gz JEIAWIBYJKAMCJ-UHFFFAOYSA-N 0 3 273.380 2.152 20 30 CEEDHN C[C@H](CCC#N)CN[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000602616004 347104629 /nfs/dbraw/zinc/10/46/29/347104629.db2.gz GTZPDSXNMIOMNX-HIFRSBDPSA-N 0 3 294.420 2.302 20 30 CEEDHN C[C@@H](CC1(C#N)CCOCC1)NCC1(CC#N)CC1 ZINC000602642777 347119992 /nfs/dbraw/zinc/11/99/92/347119992.db2.gz NEYIUEUIMDXXLN-ZDUSSCGKSA-N 0 3 261.369 2.369 20 30 CEEDHN C[C@H](CCC#N)CN1CC=C(c2ccnn2C)CC1 ZINC000602649432 347122692 /nfs/dbraw/zinc/12/26/92/347122692.db2.gz HVCBTDOJHAZJID-CYBMUJFWSA-N 0 3 258.369 2.449 20 30 CEEDHN N#Cc1cccc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)n1 ZINC000602671701 347135439 /nfs/dbraw/zinc/13/54/39/347135439.db2.gz UHUIFOVLWNRUAK-QZTJIDSGSA-N 0 3 293.370 2.209 20 30 CEEDHN CC(C)[C@H]1C[C@@H](CNCc2cccc(C#N)n2)CCO1 ZINC000602683415 347143748 /nfs/dbraw/zinc/14/37/48/347143748.db2.gz AMRIWNLXPCTCHW-XJKSGUPXSA-N 0 3 273.380 2.494 20 30 CEEDHN CC(C)(CNCc1cccc(C#N)n1)OCC1CC1 ZINC000602690046 347149308 /nfs/dbraw/zinc/14/93/08/347149308.db2.gz JTZAWQANSXMFBK-UHFFFAOYSA-N 0 3 259.353 2.248 20 30 CEEDHN CO[C@H](CNCC1(C#N)CCCCC1)[C@H]1CCOC1 ZINC000602720071 347169193 /nfs/dbraw/zinc/16/91/93/347169193.db2.gz XLQUDGYDCLJQSC-UONOGXRCSA-N 0 3 266.385 2.102 20 30 CEEDHN C[C@H](C[C@H]1CCCC(=O)N1)NCC1(C#N)CCCC1 ZINC000602697525 347153460 /nfs/dbraw/zinc/15/34/60/347153460.db2.gz AEKIHZXRTAJBQX-CHWSQXEVSA-N 0 3 263.385 2.107 20 30 CEEDHN N#Cc1cccc(CN[C@@H](C2CC2)[C@H]2CCCCO2)n1 ZINC000602707131 347161229 /nfs/dbraw/zinc/16/12/29/347161229.db2.gz SWWZTACBAONUTD-CVEARBPZSA-N 0 3 271.364 2.391 20 30 CEEDHN CO[C@@H](CN1CCC[C@H](CC#N)C1)C1CCOCC1 ZINC000602707354 347162181 /nfs/dbraw/zinc/16/21/81/347162181.db2.gz UFFGRRWUYXTVBK-HIFRSBDPSA-N 0 3 266.385 2.054 20 30 CEEDHN C[C@@H](CNCc1cccc(C#N)n1)c1ccccn1 ZINC000602707400 347162367 /nfs/dbraw/zinc/16/23/67/347162367.db2.gz VQYMOUPSMFFSPO-LBPRGKRZSA-N 0 3 252.321 2.242 20 30 CEEDHN COCC1(NCc2cccc(C#N)n2)CCCCC1 ZINC000602714665 347166542 /nfs/dbraw/zinc/16/65/42/347166542.db2.gz IVFJTDCGVINVBF-UHFFFAOYSA-N 0 3 259.353 2.392 20 30 CEEDHN N#CC1CCC(NCC(=O)Nc2cccc(F)c2)CC1 ZINC000602666181 347131482 /nfs/dbraw/zinc/13/14/82/347131482.db2.gz MNYYBSIMHDEFHA-UHFFFAOYSA-N 0 3 275.327 2.436 20 30 CEEDHN N#CCC1(CN2CCC(c3nnc4n3CCC4)CC2)CC1 ZINC000602770941 347191651 /nfs/dbraw/zinc/19/16/51/347191651.db2.gz AHZINPIPFMJPJH-UHFFFAOYSA-N 0 3 285.395 2.098 20 30 CEEDHN CC[C@@]1(O)CCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000602738236 347180043 /nfs/dbraw/zinc/18/00/43/347180043.db2.gz BOSOVFAROHFHQV-MRXNPFEDSA-N 0 3 274.364 2.304 20 30 CEEDHN CCCC(=O)NC1CCN(CC2(CC#N)CC2)CC1 ZINC000602762484 347187997 /nfs/dbraw/zinc/18/79/97/347187997.db2.gz JQRNPJIDQSUCMP-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN CC(C)(C[C@H]1CCCN(CC2(CC#N)CC2)C1)C(N)=O ZINC000602837396 347219127 /nfs/dbraw/zinc/21/91/27/347219127.db2.gz WEEKDPWFVBASAU-CYBMUJFWSA-N 0 3 277.412 2.294 20 30 CEEDHN C[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)C[C@H](C)N1CC#N ZINC000602848965 347223653 /nfs/dbraw/zinc/22/36/53/347223653.db2.gz IXTUQFIXBKFXNK-FRRDWIJNSA-N 0 3 271.355 2.340 20 30 CEEDHN CCOCCN1CCC(Nc2ccccc2C#N)CC1 ZINC000602897385 347240992 /nfs/dbraw/zinc/24/09/92/347240992.db2.gz WWRVTKOCRFGQMH-UHFFFAOYSA-N 0 3 273.380 2.471 20 30 CEEDHN Cc1nccn1CCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907181 347243374 /nfs/dbraw/zinc/24/33/74/347243374.db2.gz OZKONPKYWPEXPZ-UHFFFAOYSA-N 0 3 295.390 2.338 20 30 CEEDHN COC[C@@H](C)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907166 347243437 /nfs/dbraw/zinc/24/34/37/347243437.db2.gz OJTWODIOKAZVRG-GFCCVEGCSA-N 0 3 259.353 2.168 20 30 CEEDHN COCc1cc(C#N)ccc1N1CCN(CC2CC2)CC1 ZINC000603275437 347327067 /nfs/dbraw/zinc/32/70/67/347327067.db2.gz GFNSRTGCPSYGHS-UHFFFAOYSA-N 0 3 285.391 2.237 20 30 CEEDHN CN(C)C[C@@H]1CCCCN1C(=O)CCc1ccc(C#N)cc1 ZINC000604467909 347416668 /nfs/dbraw/zinc/41/66/68/347416668.db2.gz XTOZFFJKQJMDIC-KRWDZBQOSA-N 0 3 299.418 2.434 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc(F)cc2cccnc21 ZINC000680484726 539565161 /nfs/dbraw/zinc/56/51/61/539565161.db2.gz NFETXAOBUBWRDJ-AWEZNQCLSA-N 0 3 260.312 2.401 20 30 CEEDHN COC(=O)[C@H]1CC12CCN(Cc1ccc(C#N)cc1)CC2 ZINC000609614454 347646546 /nfs/dbraw/zinc/64/65/46/347646546.db2.gz NUWRLRCBODUDSS-OAHLLOKOSA-N 0 3 284.359 2.333 20 30 CEEDHN Cc1ccccc1CN1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000609920142 347655548 /nfs/dbraw/zinc/65/55/48/347655548.db2.gz MQSRQFPHTZWNEH-OAHLLOKOSA-N 0 3 285.391 2.189 20 30 CEEDHN Cc1ccccc1CN1CCCN(C(=O)C(C)C#N)CC1 ZINC000609920142 347655550 /nfs/dbraw/zinc/65/55/50/347655550.db2.gz MQSRQFPHTZWNEH-OAHLLOKOSA-N 0 3 285.391 2.189 20 30 CEEDHN CC[C@@H](C(=O)N[C@H](C)c1cccc(C#N)c1)N(C)C ZINC000610810263 347716055 /nfs/dbraw/zinc/71/60/55/347716055.db2.gz LNCGLKFJFUWPDB-RISCZKNCSA-N 0 3 259.353 2.076 20 30 CEEDHN CC[C@H](C(=O)N[C@H](C)c1cccc(C#N)c1)N(C)C ZINC000610810261 347716156 /nfs/dbraw/zinc/71/61/56/347716156.db2.gz LNCGLKFJFUWPDB-BXUZGUMPSA-N 0 3 259.353 2.076 20 30 CEEDHN CCC[C@@H](C#N)NC(=O)c1cccc(CN(C)C)c1 ZINC000610258070 347667409 /nfs/dbraw/zinc/66/74/09/347667409.db2.gz UMSMYQNMMIVEFO-AWEZNQCLSA-N 0 3 259.353 2.170 20 30 CEEDHN CN1C[C@H](N[C@H]2CCCc3cc(C#N)ccc32)CCC1=O ZINC000611393116 347772813 /nfs/dbraw/zinc/77/28/13/347772813.db2.gz JUYFARGOAIZWOS-ZBFHGGJFSA-N 0 3 283.375 2.146 20 30 CEEDHN Cc1noc(CCN[C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000611394220 347773501 /nfs/dbraw/zinc/77/35/01/347773501.db2.gz VQPBAHHSAQVKPF-OAHLLOKOSA-N 0 3 282.347 2.459 20 30 CEEDHN N#Cc1cc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)ccn1 ZINC000610995109 347730193 /nfs/dbraw/zinc/73/01/93/347730193.db2.gz HQYXALGZFMKMAU-YJBOKZPZSA-N 0 3 296.418 2.402 20 30 CEEDHN COC(C)(C)CCN1CCN(c2ccccc2C#N)CC1 ZINC000336845188 365920629 /nfs/dbraw/zinc/92/06/29/365920629.db2.gz WQQWBQFPPKIWQJ-UHFFFAOYSA-N 0 3 287.407 2.495 20 30 CEEDHN CCOc1ccc2c(c1)[C@H](NC(=O)C(C)C#N)CCO2 ZINC000614101583 348144605 /nfs/dbraw/zinc/14/46/05/348144605.db2.gz TVRAGYSONVZUET-GXFFZTMASA-N 0 3 274.320 2.185 20 30 CEEDHN CC(C)(C#N)c1ccc(CNCCn2cccn2)cc1 ZINC000614167259 348153688 /nfs/dbraw/zinc/15/36/88/348153688.db2.gz FAIDUNPLNUULAY-UHFFFAOYSA-N 0 3 268.364 2.474 20 30 CEEDHN COC(=O)C1(CN[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000615461818 348331914 /nfs/dbraw/zinc/33/19/14/348331914.db2.gz DTOUEVNTEIQOPD-NSHDSACASA-N 0 3 258.321 2.162 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2ccc(F)cc2F)CC1 ZINC000087318071 179411724 /nfs/dbraw/zinc/41/17/24/179411724.db2.gz CHIRKKZYUNIOTF-UHFFFAOYSA-N 0 3 294.345 2.274 20 30 CEEDHN CC1(C)[C@H](NCc2ccccc2C#N)[C@H]2CCO[C@H]21 ZINC000339504153 215214472 /nfs/dbraw/zinc/21/44/72/215214472.db2.gz DDNLBXDJQPKYMG-RBSFLKMASA-N 0 3 256.349 2.461 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000617782764 348790772 /nfs/dbraw/zinc/79/07/72/348790772.db2.gz MDNVRWJPZOQGMD-ZIAGYGMSSA-N 0 3 252.402 2.387 20 30 CEEDHN COc1cccc2c1OC[C@H](N[C@H]1CC[C@@H](C#N)C1)C2 ZINC000617583047 348744438 /nfs/dbraw/zinc/74/44/38/348744438.db2.gz NRDMJPODHKAXER-KWCYVHTRSA-N 0 3 272.348 2.281 20 30 CEEDHN CCOC(=O)CC1(NCc2ccnc(C#N)c2)CCCC1 ZINC000619060554 349107298 /nfs/dbraw/zinc/10/72/98/349107298.db2.gz JXZOEDYCYGSLLP-UHFFFAOYSA-N 0 3 287.363 2.309 20 30 CEEDHN CN1CCC(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618892284 349061627 /nfs/dbraw/zinc/06/16/27/349061627.db2.gz KQDMGVDLNGVVDC-INIZCTEOSA-N 0 3 283.375 2.004 20 30 CEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCN(CCC)C2)cc1 ZINC000619894459 349245323 /nfs/dbraw/zinc/24/53/23/349245323.db2.gz DHUJKQHIQXQRFU-OAHLLOKOSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCOc1ccc(CN(CC)CCCO)cc1OC ZINC000271216546 191007390 /nfs/dbraw/zinc/00/73/90/191007390.db2.gz XGWXRUQTLIATGZ-UHFFFAOYSA-N 0 3 279.380 2.464 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000623872839 350131457 /nfs/dbraw/zinc/13/14/57/350131457.db2.gz QAEZQBLRUZWMSK-ZIAGYGMSSA-N 0 3 277.412 2.244 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](CC)CSC)CC1 ZINC000091218540 180112917 /nfs/dbraw/zinc/11/29/17/180112917.db2.gz VJDPOXMEGGCPTF-AWEZNQCLSA-N 0 3 299.484 2.420 20 30 CEEDHN C=CCC[C@H](NC[C@H]1COCCN1C)c1ccco1 ZINC000624176288 350218966 /nfs/dbraw/zinc/21/89/66/350218966.db2.gz HQQXMUPBZAGFGL-KBPBESRZSA-N 0 3 264.369 2.207 20 30 CEEDHN N#Cc1cccc(CNC[C@H](O)Cc2ccccc2)c1 ZINC000105493315 186060233 /nfs/dbraw/zinc/06/02/33/186060233.db2.gz CERJOEOAYXGHSV-QGZVFWFLSA-N 0 3 266.344 2.251 20 30 CEEDHN C=CCN(C)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000624546393 350313077 /nfs/dbraw/zinc/31/30/77/350313077.db2.gz OKURLKWVUJENPE-CQSZACIVSA-N 0 3 265.401 2.221 20 30 CEEDHN COc1ccc(CN(C)CCc2cnccn2)cc1C#N ZINC000271373016 191103659 /nfs/dbraw/zinc/10/36/59/191103659.db2.gz RTABPXKGHWTAGF-UHFFFAOYSA-N 0 3 282.347 2.031 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@H](C)C(F)(F)F)CC1 ZINC000625321751 350464797 /nfs/dbraw/zinc/46/47/97/350464797.db2.gz OVAJIUXDUMYLDD-JTQLQIEISA-N 0 3 278.318 2.342 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)NCCC(C)(C)C)C1 ZINC000625699887 350549550 /nfs/dbraw/zinc/54/95/50/350549550.db2.gz DKMKYGDPDRFCGV-ZDUSSCGKSA-N 0 3 252.402 2.437 20 30 CEEDHN CN1CCC[C@H](CNC(=O)Nc2cccc(C#N)c2)C1 ZINC000108433666 186216261 /nfs/dbraw/zinc/21/62/61/186216261.db2.gz CARFFEAKUFVGTF-CYBMUJFWSA-N 0 3 272.352 2.022 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1C[C@H]1C)C(C)C ZINC000249047139 539816135 /nfs/dbraw/zinc/81/61/35/539816135.db2.gz HDVMGNXTOURKAW-QLFBSQMISA-N 0 3 264.413 2.457 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1C[C@@H]1C)C(C)C ZINC000249047149 539816138 /nfs/dbraw/zinc/81/61/38/539816138.db2.gz HDVMGNXTOURKAW-SOUVJXGZSA-N 0 3 264.413 2.457 20 30 CEEDHN C=CCN1CC[C@H](N2CCC[C@@H](C(C)C)C2)C1=O ZINC000337182924 366058165 /nfs/dbraw/zinc/05/81/65/366058165.db2.gz BMPKBQFXFAEQRJ-KGLIPLIRSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCN1CC[C@@H](N[C@@H](C)c2ccc(OC)cc2)C1=O ZINC000337196377 366067827 /nfs/dbraw/zinc/06/78/27/366067827.db2.gz XKEIGVKOHSWZSZ-SWLSCSKDSA-N 0 3 274.364 2.133 20 30 CEEDHN C=CCN1CC[C@H](N2CC[C@]3(CC[C@@H](C)C3)C2)C1=O ZINC000337207880 366077873 /nfs/dbraw/zinc/07/78/73/366077873.db2.gz PLTHGGVCLFKAKB-YCPHGPKFSA-N 0 3 262.397 2.285 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@@H]3CC[C@@H](F)C3)n2c1 ZINC000336493234 213365682 /nfs/dbraw/zinc/36/56/82/213365682.db2.gz OFLPRCORATYYDQ-VXGBXAGGSA-N 0 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Cc1nc(NC[C@@]2(N(C)C)CCSC2)ccc1C#N ZINC000292098712 198162543 /nfs/dbraw/zinc/16/25/43/198162543.db2.gz ZDUXKJMIONRUDU-AWEZNQCLSA-N 0 3 276.409 2.111 20 30 CEEDHN N#Cc1csc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1 ZINC000336454989 213322586 /nfs/dbraw/zinc/32/25/86/213322586.db2.gz VVSLBYLGSVSKKA-GFCCVEGCSA-N 0 3 289.404 2.366 20 30 CEEDHN C=CCN(C)C(=O)NCCCN(C)Cc1ccccc1 ZINC000153636937 188094080 /nfs/dbraw/zinc/09/40/80/188094080.db2.gz ITSYBGZGLSRCJZ-UHFFFAOYSA-N 0 3 275.396 2.336 20 30 CEEDHN Cc1nc(N[C@@H](C)CN(C)C)c(Cl)cc1C#N ZINC000292385668 198268455 /nfs/dbraw/zinc/26/84/55/198268455.db2.gz DJQGFBBYAZDWOW-QMMMGPOBSA-N 0 3 252.749 2.277 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292494374 198309285 /nfs/dbraw/zinc/30/92/85/198309285.db2.gz BQOIFPZELSAWHZ-KRWDZBQOSA-N 0 3 298.390 2.426 20 30 CEEDHN CCCN(CC#Cc1cccc(Cl)c1)CCO ZINC000156132010 188244042 /nfs/dbraw/zinc/24/40/42/188244042.db2.gz RTTVOGNMDCOCEX-UHFFFAOYSA-N 0 3 251.757 2.396 20 30 CEEDHN C=C(C)CNC(=O)NCCCN(C)Cc1ccccc1 ZINC000156310937 188254699 /nfs/dbraw/zinc/25/46/99/188254699.db2.gz IOSBNVAGQQKYKY-UHFFFAOYSA-N 0 3 275.396 2.384 20 30 CEEDHN N#Cc1ccsc1C(=O)NC1CCN(C2CCC2)CC1 ZINC000569431935 299202169 /nfs/dbraw/zinc/20/21/69/299202169.db2.gz MBLJIHOPIORUDJ-UHFFFAOYSA-N 0 3 289.404 2.366 20 30 CEEDHN C#CC[C@@H](NC[C@@H](O)COC(C)C)c1ccccc1 ZINC000271688723 191277084 /nfs/dbraw/zinc/27/70/84/191277084.db2.gz JYTZTSVSBXHSAO-HZPDHXFCSA-N 0 3 261.365 2.127 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)C[C@H]2CC)CC1 ZINC000074132440 363298612 /nfs/dbraw/zinc/29/86/12/363298612.db2.gz CZQGKZGWSRRPOT-UKRRQHHQSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCOc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000074289590 363320388 /nfs/dbraw/zinc/32/03/88/363320388.db2.gz VJNRNHOHYCYBDG-UHFFFAOYSA-N 0 3 274.364 2.077 20 30 CEEDHN CCC(C)(C)N(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000074320246 363324774 /nfs/dbraw/zinc/32/47/74/363324774.db2.gz MIQMPKPGMBUHEG-AWEZNQCLSA-N 0 3 253.390 2.161 20 30 CEEDHN C=CCCCN(C)C(=O)NC[C@@H]1CCCN1CC ZINC000074495537 363346642 /nfs/dbraw/zinc/34/66/42/363346642.db2.gz ORZOWFBINVKQKY-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN C#CCN1CCC(C(=O)NCc2coc3ccccc23)CC1 ZINC000074665288 363367114 /nfs/dbraw/zinc/36/71/14/363367114.db2.gz GIVIPTNPNVPPIN-UHFFFAOYSA-N 0 3 296.370 2.394 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000338121774 366201586 /nfs/dbraw/zinc/20/15/86/366201586.db2.gz RIDPOLSRLKMHEY-AWEZNQCLSA-N 0 3 271.364 2.033 20 30 CEEDHN CN(C)[C@H](CNc1cnc(C#N)cn1)c1cccc(F)c1 ZINC000132982084 366186092 /nfs/dbraw/zinc/18/60/92/366186092.db2.gz UCDPMBBYZVLXCS-CQSZACIVSA-N 0 3 285.326 2.202 20 30 CEEDHN CC(C)OC(=O)CCNC1(c2cccc(C#N)c2)CC1 ZINC000271754385 191306471 /nfs/dbraw/zinc/30/64/71/191306471.db2.gz GPKGYNULOVWSQP-UHFFFAOYSA-N 0 3 272.348 2.479 20 30 CEEDHN N#C[C@H]1CC[C@H](N2CCC(N3CCCCC3=O)CC2)C1 ZINC000336376043 283067258 /nfs/dbraw/zinc/06/72/58/283067258.db2.gz RUYQPPIXKIICLD-ZFWWWQNUSA-N 0 3 275.396 2.156 20 30 CEEDHN CCN1CCC(N(C)C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000336367122 213218967 /nfs/dbraw/zinc/21/89/67/213218967.db2.gz GATJJNNUWLSOHH-UHFFFAOYSA-N 0 3 289.354 2.254 20 30 CEEDHN C=CCCNCc1ccc(OC)c(OC)c1OC ZINC000161735942 540140951 /nfs/dbraw/zinc/14/09/51/540140951.db2.gz VQSYWSJKFVFRCV-UHFFFAOYSA-N 0 3 251.326 2.378 20 30 CEEDHN CC1CCN(CCNc2nc3ccccn3c2C#N)CC1 ZINC000272896148 191963481 /nfs/dbraw/zinc/96/34/81/191963481.db2.gz KVFDFUGDVCUPME-UHFFFAOYSA-N 0 3 283.379 2.350 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](O)C2CC2)c(C(F)(F)F)c1 ZINC000352831335 283145990 /nfs/dbraw/zinc/14/59/90/283145990.db2.gz GMLZQNLMHWNHJX-CYBMUJFWSA-N 0 3 284.281 2.438 20 30 CEEDHN C=CC[C@@H](CO)NCc1cnc([C@@H]2CCCO2)s1 ZINC000273542977 192194852 /nfs/dbraw/zinc/19/48/52/192194852.db2.gz XGQJHLNXAFFQPO-JQWIXIFHSA-N 0 3 268.382 2.021 20 30 CEEDHN N#Cc1ccc(CN[C@]2(CO)CCc3ccccc32)cc1 ZINC000305157973 283149333 /nfs/dbraw/zinc/14/93/33/283149333.db2.gz MOGPHUMQHCSLHK-SFHVURJKSA-N 0 3 278.355 2.482 20 30 CEEDHN N#Cc1ccc(N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301141771 283164841 /nfs/dbraw/zinc/16/48/41/283164841.db2.gz GDZXVYWMHIBZNI-CYBMUJFWSA-N 0 3 286.335 2.141 20 30 CEEDHN N#Cc1ccc([C@@H](NC[C@H]2CC=CCC2)C(N)=O)cc1 ZINC000115598461 283186302 /nfs/dbraw/zinc/18/63/02/283186302.db2.gz DWAAIDDFDOQERC-DZGCQCFKSA-N 0 3 269.348 2.031 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](NCC1=CCCOC1)CC2 ZINC000334592574 283197379 /nfs/dbraw/zinc/19/73/79/283197379.db2.gz BBUYHVXSIPFYCJ-MRXNPFEDSA-N 0 3 254.333 2.482 20 30 CEEDHN N#Cc1cccnc1N1CCCN(C2CCC2)CC1 ZINC000374284658 283217468 /nfs/dbraw/zinc/21/74/68/283217468.db2.gz VADQJKWUUJIHIN-UHFFFAOYSA-N 0 3 256.353 2.018 20 30 CEEDHN C=CCOc1ccc(CN(C)C[C@@H](O)C2CC2)cc1OC ZINC000685461502 540323310 /nfs/dbraw/zinc/32/33/10/540323310.db2.gz NWXNUBWXWYOYMC-OAHLLOKOSA-N 0 3 291.391 2.463 20 30 CEEDHN CCS(=O)(=O)CCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000414348197 236341809 /nfs/dbraw/zinc/34/18/09/236341809.db2.gz XJYVXIVKJJEKIP-LLVKDONJSA-N 0 3 298.383 2.173 20 30 CEEDHN COC(=O)CCN(Cc1ccc(OC)c(C#N)c1)C(C)C ZINC000135076940 366392155 /nfs/dbraw/zinc/39/21/55/366392155.db2.gz AKNXEEGESKODFS-UHFFFAOYSA-N 0 3 290.363 2.340 20 30 CEEDHN COc1ccc(CN2C[C@@H](C)N(C)[C@H](C)C2)cc1C#N ZINC000135273353 366419243 /nfs/dbraw/zinc/41/92/43/366419243.db2.gz YFGUWXLGAMLRTC-CHWSQXEVSA-N 0 3 273.380 2.091 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000578724820 366538891 /nfs/dbraw/zinc/53/88/91/366538891.db2.gz GEOLVFNNXJHDAG-JARUQAPTSA-N 0 3 280.412 2.003 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000578724822 366538898 /nfs/dbraw/zinc/53/88/98/366538898.db2.gz GEOLVFNNXJHDAG-RYPNDVFKSA-N 0 3 280.412 2.003 20 30 CEEDHN C=C[C@H](CC(=O)N[C@@H]1CNCCC1(F)F)c1ccccc1 ZINC000578895702 366563991 /nfs/dbraw/zinc/56/39/91/366563991.db2.gz WTXAPRKQOIVYCN-TZMCWYRMSA-N 0 3 294.345 2.460 20 30 CEEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@H]1CCCNC1=O ZINC000579088692 366590252 /nfs/dbraw/zinc/59/02/52/366590252.db2.gz JKCVGXHRQCTZDY-BRWVUGGUSA-N 0 3 297.402 2.284 20 30 CEEDHN CC(C)OCC[C@H](O)CNC1(c2cccc(C#N)c2)CC1 ZINC000341958632 216167514 /nfs/dbraw/zinc/16/75/14/216167514.db2.gz CIJKWKHZONEIQE-INIZCTEOSA-N 0 3 288.391 2.313 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000177472930 189053162 /nfs/dbraw/zinc/05/31/62/189053162.db2.gz XXBDVASZZAXLMC-MCIONIFRSA-N 0 3 260.381 2.459 20 30 CEEDHN CC(C)N(CCC#N)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000579685830 366682916 /nfs/dbraw/zinc/68/29/16/366682916.db2.gz MOQRDAWJZDUTGG-IHRRRGAJSA-N 0 3 265.401 2.398 20 30 CEEDHN C#CCOc1ccc([C@@H](C)NCCOCCOC)cc1 ZINC000178632174 189132561 /nfs/dbraw/zinc/13/25/61/189132561.db2.gz SSKYRFIBIQPWJK-CQSZACIVSA-N 0 3 277.364 2.012 20 30 CEEDHN C=CCOc1cccc(CN2CCC[C@@H](OCCO)C2)c1 ZINC000179573330 189202883 /nfs/dbraw/zinc/20/28/83/189202883.db2.gz SKGIPJWBZQDUEZ-QGZVFWFLSA-N 0 3 291.391 2.225 20 30 CEEDHN CC[C@H]1CN(C)c2ccccc2CN1CC#CCOC ZINC000677820505 541047246 /nfs/dbraw/zinc/04/72/46/541047246.db2.gz PNRXUKBHDLMUPY-INIZCTEOSA-N 0 3 272.392 2.367 20 30 CEEDHN CN1CCC[C@@H](CNc2ccc(Cl)c(C#N)n2)C1 ZINC000301529155 201050844 /nfs/dbraw/zinc/05/08/44/201050844.db2.gz OQMGLPGGEDHNPZ-JTQLQIEISA-N 0 3 264.760 2.360 20 30 CEEDHN COCCN1CCC[C@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000301552902 201065087 /nfs/dbraw/zinc/06/50/87/201065087.db2.gz VWTPVVISDZDYII-NSHDSACASA-N 0 3 294.786 2.129 20 30 CEEDHN N#Cc1cccc(CCNC(=O)[C@H](C2CC2)N2CCCC2)c1 ZINC000340104297 366771577 /nfs/dbraw/zinc/77/15/77/366771577.db2.gz LEFRAGLAKRFXHG-KRWDZBQOSA-N 0 3 297.402 2.091 20 30 CEEDHN C=CCN(C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000154484591 366775152 /nfs/dbraw/zinc/77/51/52/366775152.db2.gz JMDYGMPLJZVPHI-HNNXBMFYSA-N 0 3 275.396 2.425 20 30 CEEDHN CC#CCNC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000154532903 366778306 /nfs/dbraw/zinc/77/83/06/366778306.db2.gz SHEQKNLBLDQCLO-UHFFFAOYSA-N 0 3 270.376 2.424 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)c1cscc1C#N ZINC000340167554 366788187 /nfs/dbraw/zinc/78/81/87/366788187.db2.gz YJYKLWJWUDSEIL-GFCCVEGCSA-N 0 3 277.393 2.224 20 30 CEEDHN CN(C)[C@H](CNc1ccc(C#N)nn1)c1cccs1 ZINC000301834891 201224284 /nfs/dbraw/zinc/22/42/84/201224284.db2.gz KTBQQUVTYDOEHS-LLVKDONJSA-N 0 3 273.365 2.125 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000678737595 541168553 /nfs/dbraw/zinc/16/85/53/541168553.db2.gz SKZZSPIILFYNIN-ABAIWWIYSA-N 0 3 262.353 2.233 20 30 CEEDHN COCC#CCN[C@H](C)c1ccccc1-n1cccn1 ZINC000678769904 541170244 /nfs/dbraw/zinc/17/02/44/541170244.db2.gz DVMFMHGXPJQFRJ-CQSZACIVSA-N 0 3 269.348 2.173 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1ccc(C#N)nn1 ZINC000302165635 201375905 /nfs/dbraw/zinc/37/59/05/201375905.db2.gz JHHPVQXRNZOJBW-XJKSGUPXSA-N 0 3 293.374 2.281 20 30 CEEDHN CN(C)[C@@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1 ZINC000356553038 370752547 /nfs/dbraw/zinc/75/25/47/370752547.db2.gz PWRYYUXHFUITLY-MRXNPFEDSA-N 0 3 285.391 2.043 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000094123153 364253647 /nfs/dbraw/zinc/25/36/47/364253647.db2.gz IXWTYJAHQISGEA-KBPBESRZSA-N 0 3 294.439 2.347 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000238106885 370771704 /nfs/dbraw/zinc/77/17/04/370771704.db2.gz ZPFYAEZWOPJYLU-MRXNPFEDSA-N 0 3 291.354 2.453 20 30 CEEDHN C=C(C)CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000156697068 366836541 /nfs/dbraw/zinc/83/65/41/366836541.db2.gz ZLKPWQCVVYKWJN-UHFFFAOYSA-N 0 3 297.468 2.223 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)[C@@H]2C)CC1 ZINC000335129225 364517236 /nfs/dbraw/zinc/51/72/36/364517236.db2.gz GSEDGEVTHVOPGA-OLZOCXBDSA-N 0 3 265.401 2.077 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]1C1CCC1 ZINC000102927931 364618882 /nfs/dbraw/zinc/61/88/82/364618882.db2.gz KCHALZKYXBROOP-CQSZACIVSA-N 0 3 263.385 2.013 20 30 CEEDHN N#Cc1cccc(CNCCNC(=O)CC2CCCC2)c1 ZINC000101599019 364564939 /nfs/dbraw/zinc/56/49/39/364564939.db2.gz VQTDDVJVTZYPRO-UHFFFAOYSA-N 0 3 285.391 2.344 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)Nc1cccc(C#N)c1 ZINC000103503720 364662446 /nfs/dbraw/zinc/66/24/46/364662446.db2.gz REMDENQLFDZQRJ-UHFFFAOYSA-N 0 3 286.379 2.364 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000335291717 364679698 /nfs/dbraw/zinc/67/96/98/364679698.db2.gz YSFLVNOJDCDTKY-LRDDRELGSA-N 0 3 270.332 2.194 20 30 CEEDHN C[C@@H](CNC(=O)C1(C#N)CCCCC1)N1CCCC1 ZINC000109476138 364719537 /nfs/dbraw/zinc/71/95/37/364719537.db2.gz WZIPEMKRJFIQEN-ZDUSSCGKSA-N 0 3 263.385 2.061 20 30 CEEDHN C=CCNC(=O)CN1CCCC2(CCCCC2)C1 ZINC000111323255 364727209 /nfs/dbraw/zinc/72/72/09/364727209.db2.gz MKKLFRUZSBLMDB-UHFFFAOYSA-N 0 3 250.386 2.335 20 30 CEEDHN Cn1cc(CN2CCC[C@H]([C@@H]3CCOC3)C2)cc1C#N ZINC000335702921 364856477 /nfs/dbraw/zinc/85/64/77/364856477.db2.gz BGKUHNHGJHIKTK-LSDHHAIUSA-N 0 3 273.380 2.145 20 30 CEEDHN C[C@H](C(=O)N(C)C1CCN(C)CC1)c1cccc(C#N)c1 ZINC000335707584 364863151 /nfs/dbraw/zinc/86/31/51/364863151.db2.gz AUFJGLVRNUMFDC-ZDUSSCGKSA-N 0 3 285.391 2.214 20 30 CEEDHN C[C@@H]1C[C@H](CO)CN(Cc2ccc(C#N)s2)C1 ZINC000335613155 212325314 /nfs/dbraw/zinc/32/53/14/212325314.db2.gz LUIUANCZIULHMX-MNOVXSKESA-N 0 3 250.367 2.070 20 30 CEEDHN C#CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000116435217 365057028 /nfs/dbraw/zinc/05/70/28/365057028.db2.gz XVVYCTWJAZLXSX-CQSZACIVSA-N 0 3 285.391 2.144 20 30 CEEDHN C[C@H]1CN(C)C[C@H]1NC1(c2cccc(C#N)c2)CC1 ZINC000335936238 365183270 /nfs/dbraw/zinc/18/32/70/365183270.db2.gz HPKGHRKRHAULCJ-SWLSCSKDSA-N 0 3 255.365 2.087 20 30 CEEDHN COC(CN1CCC(Oc2ccc(C#N)cc2)CC1)OC ZINC000275429053 193034236 /nfs/dbraw/zinc/03/42/36/193034236.db2.gz AVCVIDXRRMUXBY-UHFFFAOYSA-N 0 3 290.363 2.020 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000336065031 365358909 /nfs/dbraw/zinc/35/89/09/365358909.db2.gz AWRWFALFKHDJLX-OCCSQVGLSA-N 0 3 286.379 2.471 20 30 CEEDHN C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)C(=O)N(C)C ZINC000336083601 365385276 /nfs/dbraw/zinc/38/52/76/365385276.db2.gz KFBYMBMOIPHSIO-BLLLJJGKSA-N 0 3 285.391 2.392 20 30 CEEDHN CC(C)(C)OC(=O)N[C@H]1CCN(CCCSCC#N)C1 ZINC000120071421 365369693 /nfs/dbraw/zinc/36/96/93/365369693.db2.gz PARNORYNRSSZGO-LBPRGKRZSA-N 0 3 299.440 2.232 20 30 CEEDHN C=CCNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000159225756 366891002 /nfs/dbraw/zinc/89/10/02/366891002.db2.gz WIZJIZBPBVBTGM-DZGCQCFKSA-N 0 3 273.380 2.135 20 30 CEEDHN CC#CCCN(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000680885085 541468251 /nfs/dbraw/zinc/46/82/51/541468251.db2.gz FAHYZMYODFXAEC-UHFFFAOYSA-N 0 3 270.376 2.424 20 30 CEEDHN Cc1cc(NC[C@H]2CCCCN2C2CC2)c(C#N)cn1 ZINC000582841363 366966288 /nfs/dbraw/zinc/96/62/88/366966288.db2.gz SKVFJHGAUPCPSU-OAHLLOKOSA-N 0 3 270.380 2.112 20 30 CEEDHN CN(Cc1cccc(C#N)c1F)[C@H]1CCN(C2CC2)C1 ZINC000340894057 367078022 /nfs/dbraw/zinc/07/80/22/367078022.db2.gz LJCRPKXNLZMTAR-HNNXBMFYSA-N 0 3 273.355 2.366 20 30 CEEDHN C[C@H]1C[C@@H](Nc2nc3ccccn3c2C#N)CN1C1CC1 ZINC000583967055 367122109 /nfs/dbraw/zinc/12/21/09/367122109.db2.gz JMLBTIWBDUDEFQ-NWDGAFQWSA-N 0 3 281.363 2.243 20 30 CEEDHN Cc1ccc([C@@H](CNC(=O)C(C)C#N)N2CCCC2)o1 ZINC000357887818 370833723 /nfs/dbraw/zinc/83/37/23/370833723.db2.gz CVIPPCAMLCUIAV-WCQYABFASA-N 0 3 275.352 2.001 20 30 CEEDHN C=CCN1CC[C@@H](N(C)CC2Cc3ccccc3C2)C1=O ZINC000584441868 367157680 /nfs/dbraw/zinc/15/76/80/367157680.db2.gz JDQBFXHAZWNDEW-QGZVFWFLSA-N 0 3 284.403 2.120 20 30 CEEDHN C=CCC[C@H](O)CN[C@@H](COC)c1ccc(F)cc1 ZINC000342341459 367401323 /nfs/dbraw/zinc/40/13/23/367401323.db2.gz QRZGORNAAAVSAZ-GJZGRUSLSA-N 0 3 267.344 2.430 20 30 CEEDHN CS[C@H]1CN(c2nccc(C#N)c2Cl)C[C@@H]1N(C)C ZINC000342702975 367490890 /nfs/dbraw/zinc/49/08/90/367490890.db2.gz OPQAOOYTRFOLBA-QWRGUYRKSA-N 0 3 296.827 2.088 20 30 CEEDHN CN(C[C@@H]1CCN(CCCC#N)C1)C(=O)OC(C)(C)C ZINC000170918264 367449293 /nfs/dbraw/zinc/44/92/93/367449293.db2.gz LVKYNAGCRHILIO-ZDUSSCGKSA-N 0 3 281.400 2.479 20 30 CEEDHN C=CC[C@H](CO)CNCc1cnc(C(C)(C)C)nc1 ZINC000342801630 367544700 /nfs/dbraw/zinc/54/47/00/367544700.db2.gz ZGHCQJAAORPEQF-LBPRGKRZSA-N 0 3 263.385 2.048 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2cccc(OC)c2)CC1 ZINC000171724576 367602945 /nfs/dbraw/zinc/60/29/45/367602945.db2.gz XRTUMESGXMXIBJ-UHFFFAOYSA-N 0 3 288.391 2.004 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](OCCO)C1 ZINC000172398802 367735813 /nfs/dbraw/zinc/73/58/13/367735813.db2.gz CWGGUAJMCAUGDM-CJNGLKHVSA-N 0 3 274.364 2.093 20 30 CEEDHN N#CC(C(=O)Nc1ccc(F)c(F)c1)c1ccncn1 ZINC000358054512 370887932 /nfs/dbraw/zinc/88/79/32/370887932.db2.gz LCMIRZLHEFKESH-SECBINFHSA-N 0 3 274.230 2.001 20 30 CEEDHN C=CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000172618758 367790179 /nfs/dbraw/zinc/79/01/79/367790179.db2.gz HGBXOVVAYRQLLN-UHFFFAOYSA-N 0 3 261.325 2.293 20 30 CEEDHN C[C@H](NCCc1cccc(C#N)c1)c1cnn(C)c1 ZINC000343510137 367853630 /nfs/dbraw/zinc/85/36/30/367853630.db2.gz KDIZGYJEMSHINZ-LBPRGKRZSA-N 0 3 254.337 2.185 20 30 CEEDHN CSCC[C@H](CO)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353270759 220000504 /nfs/dbraw/zinc/00/05/04/220000504.db2.gz WWPAHACSMMSOFS-UKRRQHHQSA-N 0 3 276.405 2.249 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCS[C@@H](CC)C2)CC1 ZINC000173197210 367881890 /nfs/dbraw/zinc/88/18/90/367881890.db2.gz HURUDUVKQVRJAG-AWEZNQCLSA-N 0 3 297.468 2.174 20 30 CEEDHN CC(C#N)C(=O)NCc1ncoc1-c1ccccc1 ZINC000343711667 367967429 /nfs/dbraw/zinc/96/74/29/367967429.db2.gz TWZPJRDGKKCLJC-SNVBAGLBSA-N 0 3 255.277 2.117 20 30 CEEDHN CN(C)C[C@H](Cc1ccccc1)NCc1ccc(C#N)o1 ZINC000174295107 368008044 /nfs/dbraw/zinc/00/80/44/368008044.db2.gz GVDMEWNVVFAOEN-HNNXBMFYSA-N 0 3 283.375 2.414 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N(C)CCN1CCCC1 ZINC000343811429 368017209 /nfs/dbraw/zinc/01/72/09/368017209.db2.gz IMYZQGKKHZGKDG-AWEZNQCLSA-N 0 3 267.417 2.468 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC(C)(C)C2)CC1 ZINC000174776157 368065706 /nfs/dbraw/zinc/06/57/06/368065706.db2.gz MZUATFVMOAAQJH-UHFFFAOYSA-N 0 3 265.401 2.078 20 30 CEEDHN C[C@@H]1CC[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000343953545 368089705 /nfs/dbraw/zinc/08/97/05/368089705.db2.gz KMEWTGGXDFUFOR-UGFHNGPFSA-N 0 3 267.332 2.155 20 30 CEEDHN C[C@@H](C(=O)N1CCC(C#N)CC1)N1CCCCCC1 ZINC000175792931 368176519 /nfs/dbraw/zinc/17/65/19/368176519.db2.gz SHDVHUJMGCRUET-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@@H]1CN(CCCNCc2cc(C#N)cs2)C[C@H](C)O1 ZINC000177682758 368278578 /nfs/dbraw/zinc/27/85/78/368278578.db2.gz DTTRVCIZMOLBOI-BETUJISGSA-N 0 3 293.436 2.209 20 30 CEEDHN CN1CCC[C@@H](CNC(=O)Nc2ccc(F)cc2C#N)C1 ZINC000177912172 368283379 /nfs/dbraw/zinc/28/33/79/368283379.db2.gz ALZVGBWVRJBSNX-NSHDSACASA-N 0 3 290.342 2.161 20 30 CEEDHN Cc1cccc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)c1 ZINC000180878858 368401145 /nfs/dbraw/zinc/40/11/45/368401145.db2.gz RPCRJQDIZZYQNY-VLUKHXRESA-N 0 3 299.374 2.172 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000345901295 368476476 /nfs/dbraw/zinc/47/64/76/368476476.db2.gz JQRYIBANEAYLOT-OAGGEKHMSA-N 0 3 292.423 2.054 20 30 CEEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)C2(C#N)CCCC2)C[C@@H](C)C1 ZINC000346231204 368600146 /nfs/dbraw/zinc/60/01/46/368600146.db2.gz NOPWMZKWJLGNPH-ZNMIVQPWSA-N 0 3 289.423 2.259 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(OC(F)F)c(F)c1 ZINC000358104782 370907473 /nfs/dbraw/zinc/90/74/73/370907473.db2.gz MXLHNPRPCAXOAU-ZETCQYMHSA-N 0 3 272.226 2.203 20 30 CEEDHN C=CCCCN(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246155317 370917479 /nfs/dbraw/zinc/91/74/79/370917479.db2.gz PQZJOOUAMMZBNS-CHWSQXEVSA-N 0 3 259.415 2.240 20 30 CEEDHN C=C(C)CN1CCC(NCc2ccn(C(F)F)n2)CC1 ZINC000346685095 368768014 /nfs/dbraw/zinc/76/80/14/368768014.db2.gz IHZZHEARRVCLDJ-UHFFFAOYSA-N 0 3 284.354 2.408 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CC)CC1 ZINC000358197416 370946721 /nfs/dbraw/zinc/94/67/21/370946721.db2.gz XHLYOEWJZWZPAG-GFCCVEGCSA-N 0 3 253.390 2.125 20 30 CEEDHN C#CCC(C)(C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000185105404 368747486 /nfs/dbraw/zinc/74/74/86/368747486.db2.gz FHXJOXJOCZZBHJ-UHFFFAOYSA-N 0 3 272.392 2.414 20 30 CEEDHN COc1ccc(CN(C)[C@@H](CO)CC(C)C)cc1C#N ZINC000185319912 368786697 /nfs/dbraw/zinc/78/66/97/368786697.db2.gz JWMHYMJRYHTFTL-OAHLLOKOSA-N 0 3 276.380 2.406 20 30 CEEDHN C=CCOCCCN(C)[C@@H](CO)c1ccc(OC)cc1 ZINC000348027103 368863121 /nfs/dbraw/zinc/86/31/21/368863121.db2.gz FJPSBPPIMBODAB-INIZCTEOSA-N 0 3 279.380 2.253 20 30 CEEDHN CN(C)C(=O)[C@H](Cc1ccccc1)N[C@H]1CCC[C@H](C#N)C1 ZINC000185815231 368866168 /nfs/dbraw/zinc/86/61/68/368866168.db2.gz XKABADNVRGXCNT-ULQDDVLXSA-N 0 3 299.418 2.358 20 30 CEEDHN C=CCOCCCN1CCN(c2cccs2)CC1 ZINC000348059135 368879576 /nfs/dbraw/zinc/87/95/76/368879576.db2.gz VWRRQURYSITOPI-UHFFFAOYSA-N 0 3 266.410 2.463 20 30 CEEDHN COCC1=CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000185884807 368880478 /nfs/dbraw/zinc/88/04/78/368880478.db2.gz OKUZFIMTKOJSLV-UHFFFAOYSA-N 0 3 299.374 2.165 20 30 CEEDHN CN(CCCC#N)C[C@@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000348112536 368903334 /nfs/dbraw/zinc/90/33/34/368903334.db2.gz WQSNSWQFZPIHDJ-OLZOCXBDSA-N 0 3 296.415 2.291 20 30 CEEDHN CN(CCOc1ccccc1C#N)[C@H]1CCN(C2CC2)C1 ZINC000348181371 368937642 /nfs/dbraw/zinc/93/76/42/368937642.db2.gz QMFZJNXQFSVXMC-INIZCTEOSA-N 0 3 285.391 2.106 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cscn2)cc1 ZINC000348192681 368943136 /nfs/dbraw/zinc/94/31/36/368943136.db2.gz IXYFPZCSGUACEN-CYBMUJFWSA-N 0 3 296.355 2.013 20 30 CEEDHN CCO[C@H]1C[C@@](CO)(NCc2cccc(C#N)c2)C1(C)C ZINC000186593761 369003239 /nfs/dbraw/zinc/00/32/39/369003239.db2.gz BQIIZCRUWFZAJL-RDJZCZTQSA-N 0 3 288.391 2.214 20 30 CEEDHN CC(C)[C@H]1CN(C)CCN1CCOc1cccc(C#N)c1 ZINC000348573238 369093248 /nfs/dbraw/zinc/09/32/48/369093248.db2.gz DCWCPMDWACQETL-QGZVFWFLSA-N 0 3 287.407 2.209 20 30 CEEDHN CCOC[C@H](N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C(C)C ZINC000348476040 369057387 /nfs/dbraw/zinc/05/73/87/369057387.db2.gz FWMUQPRNEOZZEZ-OFQRWUPVSA-N 0 3 297.443 2.080 20 30 CEEDHN C[C@H]1C[C@H](C)CN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000330714237 203143683 /nfs/dbraw/zinc/14/36/83/203143683.db2.gz ZRLDCNFVAQBTAS-KBPBESRZSA-N 0 3 285.391 2.152 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000187701665 369207194 /nfs/dbraw/zinc/20/71/94/369207194.db2.gz NUGPNIRIWNTVPQ-NVXWUHKLSA-N 0 3 299.418 2.273 20 30 CEEDHN C=CCN1CCC(NC(=O)CC[C@H]2CC[C@@H](C)O2)CC1 ZINC000173160692 261157271 /nfs/dbraw/zinc/15/72/71/261157271.db2.gz KKORKFAAMSBDBN-UKRRQHHQSA-N 0 3 280.412 2.101 20 30 CEEDHN C[C@H]1CCCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000187939178 369256895 /nfs/dbraw/zinc/25/68/95/369256895.db2.gz LTWVANNVXMJMDZ-AWEZNQCLSA-N 0 3 277.412 2.451 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)C(F)F)CC1 ZINC000349703249 369374196 /nfs/dbraw/zinc/37/41/96/369374196.db2.gz OPSHRMJOIGQRNF-UHFFFAOYSA-N 0 3 274.355 2.434 20 30 CEEDHN COc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1[N+](=O)[O-] ZINC000349814628 369408164 /nfs/dbraw/zinc/40/81/64/369408164.db2.gz VENGUDUFDSJUAA-ZYHUDNBSSA-N 0 3 275.308 2.385 20 30 CEEDHN Cc1cccc(C[C@@H](CO)NCc2ccc(C#N)o2)c1 ZINC000189022555 369444110 /nfs/dbraw/zinc/44/41/10/369444110.db2.gz YQAPHPCWEHXXPK-AWEZNQCLSA-N 0 3 270.332 2.153 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C#N)cc1 ZINC000330880668 203345423 /nfs/dbraw/zinc/34/54/23/203345423.db2.gz BOEQKBVMKYHDCE-BETUJISGSA-N 0 3 271.364 2.047 20 30 CEEDHN CO[C@H]1CN(CCOc2cccc(C#N)c2)CC[C@H]1C ZINC000189260546 369485817 /nfs/dbraw/zinc/48/58/17/369485817.db2.gz SJNBQNJWPHTHBG-CJNGLKHVSA-N 0 3 274.364 2.294 20 30 CEEDHN C#CCOc1ccc([C@H](C)N[C@H](C)C(=O)N(C)CC)cc1 ZINC000189402471 369511641 /nfs/dbraw/zinc/51/16/41/369511641.db2.gz QVERLXSQJOWYIQ-UONOGXRCSA-N 0 3 288.391 2.216 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H]2OCCC[C@H]2C1 ZINC000246659705 370990329 /nfs/dbraw/zinc/99/03/29/370990329.db2.gz LOWJVVHPDMLUNQ-HRCADAONSA-N 0 3 292.423 2.076 20 30 CEEDHN CN(C)[C@@H](CNCc1cc(C#N)n(C)c1)c1cccs1 ZINC000189579439 369542513 /nfs/dbraw/zinc/54/25/13/369542513.db2.gz NUWJFYAXCHCQBL-AWEZNQCLSA-N 0 3 288.420 2.351 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@@H](N3CCCC3)C2)CCC1 ZINC000191090159 369676647 /nfs/dbraw/zinc/67/66/47/369676647.db2.gz NZBFEEKLBHZIJA-CQSZACIVSA-N 0 3 262.397 2.430 20 30 CEEDHN C=CCN(CCOC)C[C@H](O)CCc1ccccc1 ZINC000191093664 369677030 /nfs/dbraw/zinc/67/70/30/369677030.db2.gz LITPQSUIZRUNOH-MRXNPFEDSA-N 0 3 263.381 2.115 20 30 CEEDHN CN(CC(=O)NCc1cccc(C#N)c1)C(C1CC1)C1CC1 ZINC000353285086 220009613 /nfs/dbraw/zinc/00/96/13/220009613.db2.gz AHABZEFTTZBEOC-UHFFFAOYSA-N 0 3 297.402 2.295 20 30 CEEDHN C[C@H](CNCc1nc(C#N)cs1)N1CCC(C)CC1 ZINC000352838396 369904612 /nfs/dbraw/zinc/90/46/12/369904612.db2.gz DXASDAKKUWMYPL-GFCCVEGCSA-N 0 3 278.425 2.225 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193284673 369917540 /nfs/dbraw/zinc/91/75/40/369917540.db2.gz MURSMLAQZNLQAF-SWLSCSKDSA-N 0 3 276.336 2.499 20 30 CEEDHN CC(C)[C@@](C)(CO)NCc1cc(C#N)ccc1F ZINC000352893810 369937629 /nfs/dbraw/zinc/93/76/29/369937629.db2.gz PTEQDJAAULIJRG-CQSZACIVSA-N 0 3 250.317 2.194 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000352894752 369939106 /nfs/dbraw/zinc/93/91/06/369939106.db2.gz UYEFLBUTEYWTMQ-VKJFTORMSA-N 0 3 299.418 2.414 20 30 CEEDHN C[C@@H]1C[C@H](CCNCc2nc(C#N)cs2)CCO1 ZINC000352907988 369944056 /nfs/dbraw/zinc/94/40/56/369944056.db2.gz WPKJULUBXRAHOG-GHMZBOCLSA-N 0 3 265.382 2.310 20 30 CEEDHN CC(C)(C)[C@H]1NC(=O)CC[C@H]1NCc1ccc(C#N)cc1 ZINC000353118095 370024871 /nfs/dbraw/zinc/02/48/71/370024871.db2.gz KWOYYQNASJCHEB-ZBFHGGJFSA-N 0 3 285.391 2.341 20 30 CEEDHN N#Cc1ccc(CNC(=O)C2CCN(C3CC3)CC2)cc1 ZINC000195336469 370126171 /nfs/dbraw/zinc/12/61/71/370126171.db2.gz PCUFNDVJBDAOHL-UHFFFAOYSA-N 0 3 283.375 2.049 20 30 CEEDHN CCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355118426 370510690 /nfs/dbraw/zinc/51/06/90/370510690.db2.gz BKFIALCPVLDIFP-GOEBONIOSA-N 0 3 285.391 2.269 20 30 CEEDHN COc1cc(CN(C)CCOCC2CC2)ccc1C#N ZINC000234922106 370549967 /nfs/dbraw/zinc/54/99/67/370549967.db2.gz AEBWGVLLOUWWLL-UHFFFAOYSA-N 0 3 274.364 2.425 20 30 CEEDHN C[C@@H]1C[C@H](C)[C@H](C)N(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000355780916 370614483 /nfs/dbraw/zinc/61/44/83/370614483.db2.gz JFTLCETYYDEAQL-LMOYCYGVSA-N 0 3 277.412 2.161 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@H]1CCCN1CCC ZINC000358315606 371010740 /nfs/dbraw/zinc/01/07/40/371010740.db2.gz QIRXQQBVSAXHMY-CQSZACIVSA-N 0 3 265.401 2.244 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H]1C[C@@H](C)O ZINC000246806107 371014217 /nfs/dbraw/zinc/01/42/17/371014217.db2.gz SZAJJQYIIKWJKW-ILXRZTDVSA-N 0 3 282.428 2.035 20 30 CEEDHN C=C(CC)CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000358503672 371094631 /nfs/dbraw/zinc/09/46/31/371094631.db2.gz DLMVLMYDTXOVHA-CYBMUJFWSA-N 0 3 260.385 2.370 20 30 CEEDHN C[C@H](CN1CCOCC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358571137 371122443 /nfs/dbraw/zinc/12/24/43/371122443.db2.gz ODXGLLHBHBWHGA-OLZOCXBDSA-N 0 3 291.370 2.069 20 30 CEEDHN COCC[C@@](C)(O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358588493 371128437 /nfs/dbraw/zinc/12/84/37/371128437.db2.gz LVDAPAXHPFHDMT-XHDPSFHLSA-N 0 3 280.343 2.135 20 30 CEEDHN C[C@@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)[C@@H]2CCCC[C@@H]21 ZINC000248420126 371191811 /nfs/dbraw/zinc/19/18/11/371191811.db2.gz LNXZUYCXJBRVMU-DNNBLBMLSA-N 0 3 289.423 2.305 20 30 CEEDHN N#Cc1ccc(F)c(CN2CCN3CCCC[C@H]3C2)c1 ZINC000248345759 371177782 /nfs/dbraw/zinc/17/77/82/371177782.db2.gz NDWQFNCNIYLNMU-HNNXBMFYSA-N 0 3 273.355 2.367 20 30 CEEDHN CC(C#N)C(=O)NCc1c(F)cccc1N1CCCC1 ZINC000358844515 371244356 /nfs/dbraw/zinc/24/43/56/371244356.db2.gz UCPQKYCORNUURS-LLVKDONJSA-N 0 3 275.327 2.202 20 30 CEEDHN C=C1CCN(CCC(=O)NCc2cnc(C)s2)CC1 ZINC000639482252 371353903 /nfs/dbraw/zinc/35/39/03/371353903.db2.gz JLJYCVIUKZRZPN-UHFFFAOYSA-N 0 3 279.409 2.110 20 30 CEEDHN N#Cc1cc(F)c(NC[C@H]2CN3CCC[C@H]3CO2)c(F)c1 ZINC000250767990 371390617 /nfs/dbraw/zinc/39/06/17/371390617.db2.gz XTLIXHJYORHNJM-RYUDHWBXSA-N 0 3 293.317 2.112 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CCCN(C)[C@@H]1C)c1cccc(C#N)c1 ZINC000360717571 371531928 /nfs/dbraw/zinc/53/19/28/371531928.db2.gz RIOOAJVCUBMGAU-WOSRLPQWSA-N 0 3 285.391 2.261 20 30 CEEDHN CC#CCCNCc1ccc(OCc2noc(C)n2)cc1 ZINC000360967936 371570979 /nfs/dbraw/zinc/57/09/79/371570979.db2.gz FJNXWJBAWUXKLA-UHFFFAOYSA-N 0 3 285.347 2.460 20 30 CEEDHN Cc1nnc2n1C[C@@H](N[C@@H](C)c1ccc(C#N)s1)CC2 ZINC000361123152 371663307 /nfs/dbraw/zinc/66/33/07/371663307.db2.gz FFEZFUMYOUOPNA-ONGXEEELSA-N 0 3 287.392 2.185 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@H](C2CCC2)CC1 ZINC000640106054 371818593 /nfs/dbraw/zinc/81/85/93/371818593.db2.gz LCUYHYRSDFKTGN-AWEZNQCLSA-N 0 3 250.386 2.191 20 30 CEEDHN CN(CCOCc1ccc(C#N)cc1)CCC(C)(C)O ZINC000344071110 217038049 /nfs/dbraw/zinc/03/80/49/217038049.db2.gz NHGVSMRPEASJST-UHFFFAOYSA-N 0 3 276.380 2.168 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000683789128 541860840 /nfs/dbraw/zinc/86/08/40/541860840.db2.gz JJKASVGQDNACAE-CQSZACIVSA-N 0 3 291.399 2.017 20 30 CEEDHN CC#CCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000361530871 371902131 /nfs/dbraw/zinc/90/21/31/371902131.db2.gz MIKVMBWKLGPYSP-CVEARBPZSA-N 0 3 285.391 2.144 20 30 CEEDHN CC#CCCCC(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000361623994 371983670 /nfs/dbraw/zinc/98/36/70/371983670.db2.gz PFXDUFRDFCDCMR-CABCVRRESA-N 0 3 294.464 2.218 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)[C@@H]1CCCN1C ZINC000264616602 371999484 /nfs/dbraw/zinc/99/94/84/371999484.db2.gz JQWYSGLIVONCKK-HNNXBMFYSA-N 0 3 258.365 2.295 20 30 CEEDHN CCC(CC)(CO)NCc1ccc(C#N)c(F)c1 ZINC000361833073 372090030 /nfs/dbraw/zinc/09/00/30/372090030.db2.gz LJOWHYVSAICUOA-UHFFFAOYSA-N 0 3 250.317 2.338 20 30 CEEDHN CC(C)CO[C@@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268719079 372192195 /nfs/dbraw/zinc/19/21/95/372192195.db2.gz VIYBRQHLTWVYNN-SJORKVTESA-N 0 3 288.391 2.339 20 30 CEEDHN C=CCN1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000269449873 372453445 /nfs/dbraw/zinc/45/34/45/372453445.db2.gz VLHGVPVRUOBHBO-UHFFFAOYSA-N 0 3 273.355 2.437 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000269608317 372504807 /nfs/dbraw/zinc/50/48/07/372504807.db2.gz LARAKTOSXYOAPL-MLGOLLRUSA-N 0 3 283.375 2.079 20 30 CEEDHN C=CCNC(=O)CN[C@H](c1ccc(F)cc1)C1CC1 ZINC000269653177 372520786 /nfs/dbraw/zinc/52/07/86/372520786.db2.gz IIISVPWHQLXKMY-HNNXBMFYSA-N 0 3 262.328 2.169 20 30 CEEDHN COc1ccc(CN2CCCC[C@@H]2[C@H](C)O)cc1C#N ZINC000269719417 372545409 /nfs/dbraw/zinc/54/54/09/372545409.db2.gz TYQUHWKAKDENFW-SWLSCSKDSA-N 0 3 274.364 2.302 20 30 CEEDHN C=CCNC(=O)CN1CC[C@@H](CC2CCCC2)C1 ZINC000364246844 372706348 /nfs/dbraw/zinc/70/63/48/372706348.db2.gz CNBRRHCCFRPDPJ-AWEZNQCLSA-N 0 3 250.386 2.191 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc(C(F)F)cc1 ZINC000641767990 372707185 /nfs/dbraw/zinc/70/71/85/372707185.db2.gz SVRRZAVDPMCYJC-CYBMUJFWSA-N 0 3 253.292 2.488 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc(OC(C)C)c(OC)c1 ZINC000641768851 372710221 /nfs/dbraw/zinc/71/02/21/372710221.db2.gz JSLYBGIDJWDHMK-HNNXBMFYSA-N 0 3 291.391 2.346 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@@H]1c1ccc(C)s1 ZINC000365298968 372821255 /nfs/dbraw/zinc/82/12/55/372821255.db2.gz CTLBDKQAAFBSQU-CHWSQXEVSA-N 0 3 276.405 2.331 20 30 CEEDHN CO[C@H](CCNCc1ccc(C#N)o1)C(F)(F)F ZINC000344806344 217318031 /nfs/dbraw/zinc/31/80/31/217318031.db2.gz FONJSDFJQWHXGH-SNVBAGLBSA-N 0 3 262.231 2.208 20 30 CEEDHN C[C@@H](Cn1cncn1)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271915469 373212417 /nfs/dbraw/zinc/21/24/17/373212417.db2.gz CABGVUKTVMOOFC-QWRGUYRKSA-N 0 3 273.315 2.028 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N(CCCC)CCCO ZINC000271699363 373197532 /nfs/dbraw/zinc/19/75/32/373197532.db2.gz HBULBKXSMXOWCX-HNNXBMFYSA-N 0 3 282.428 2.060 20 30 CEEDHN CN(c1ccc(C#N)cn1)C1CCN(c2ccncc2)CC1 ZINC000368944279 373297363 /nfs/dbraw/zinc/29/73/63/373297363.db2.gz XTUOWFLEFUINTH-UHFFFAOYSA-N 0 3 293.374 2.453 20 30 CEEDHN C#CCCN(CCOC)[C@H]1CCCc2cccnc21 ZINC000369017940 373315480 /nfs/dbraw/zinc/31/54/80/373315480.db2.gz JUBZWUKEQBMDRC-HNNXBMFYSA-N 0 3 258.365 2.431 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)[C@H]1NCC1(C)C ZINC000644008380 373336433 /nfs/dbraw/zinc/33/64/33/373336433.db2.gz PGTGPYCOYKZUOW-CQSZACIVSA-N 0 3 258.365 2.199 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1NCC1(C)C ZINC000644015117 373338492 /nfs/dbraw/zinc/33/84/92/373338492.db2.gz YWSALZCGWQBSRN-OAHLLOKOSA-N 0 3 288.391 2.208 20 30 CEEDHN CN(CCOc1ccccc1C#N)C[C@@H]1CCCC[C@@H]1O ZINC000272466433 373499575 /nfs/dbraw/zinc/49/95/75/373499575.db2.gz FCGNKMZAVTTYRJ-HOTGVXAUSA-N 0 3 288.391 2.420 20 30 CEEDHN CO[C@@H](C)CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000272782421 373655075 /nfs/dbraw/zinc/65/50/75/373655075.db2.gz HUZYEKFSMGLTSG-ZDUSSCGKSA-N 0 3 274.364 2.436 20 30 CEEDHN C=CCS(=O)(=O)CCNCc1c(C)cc(C)cc1C ZINC000272854810 373681498 /nfs/dbraw/zinc/68/14/98/373681498.db2.gz PDUNTYGIJWFSGN-UHFFFAOYSA-N 0 3 281.421 2.302 20 30 CEEDHN C=CCN(CC=C)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272858483 373683313 /nfs/dbraw/zinc/68/33/13/373683313.db2.gz IAYROFVMWWZCTR-CYBMUJFWSA-N 0 3 263.385 2.020 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272931916 373719217 /nfs/dbraw/zinc/71/92/17/373719217.db2.gz LCXITZKJYOVAFZ-ZDUSSCGKSA-N 0 3 265.401 2.244 20 30 CEEDHN Cc1ccnc(N2CCC[C@H]3CN(C)CC[C@@H]32)c1C#N ZINC000273409237 373755571 /nfs/dbraw/zinc/75/55/71/373755571.db2.gz XJSJIDCRSYQTSE-ZFWWWQNUSA-N 0 3 270.380 2.182 20 30 CEEDHN N#Cc1cccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000371517221 373909821 /nfs/dbraw/zinc/90/98/21/373909821.db2.gz NBYLDDIKEGXGCL-OAHLLOKOSA-N 0 3 284.363 2.260 20 30 CEEDHN C=CCN(CC)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000371640689 373939155 /nfs/dbraw/zinc/93/91/55/373939155.db2.gz XDPZXCZBAVTJEE-UHFFFAOYSA-N 0 3 290.411 2.017 20 30 CEEDHN C#CCCN1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000371985897 374015230 /nfs/dbraw/zinc/01/52/30/374015230.db2.gz HIWOKBLIQUOFET-UHFFFAOYSA-N 0 3 286.375 2.369 20 30 CEEDHN C=CCC[C@@H](O)CN1CCCC[C@@H]1Cn1nc(C)nc1C ZINC000372019070 374022326 /nfs/dbraw/zinc/02/23/26/374022326.db2.gz QGSZSNOKPIVLGI-HZPDHXFCSA-N 0 3 292.427 2.077 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H]2CCO)c(F)c1 ZINC000275076311 374147841 /nfs/dbraw/zinc/14/78/41/374147841.db2.gz ZUPRINVTSRHFHW-IUODEOHRSA-N 0 3 262.328 2.338 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1C[C@H]2CCCCCC[C@H]21 ZINC000372589420 374162685 /nfs/dbraw/zinc/16/26/85/374162685.db2.gz PFNSLWXPSGVTQD-RBSFLKMASA-N 0 3 277.412 2.402 20 30 CEEDHN N#Cc1cnccc1NC1CCN(Cc2ccccc2)CC1 ZINC000372954404 374229275 /nfs/dbraw/zinc/22/92/75/374229275.db2.gz LYQHGLDGOARQQN-UHFFFAOYSA-N 0 3 292.386 2.452 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)/C(=C/C)CC)CC1 ZINC000276626977 374241537 /nfs/dbraw/zinc/24/15/37/374241537.db2.gz NSFQFNYHCKMBBM-WLRTZDKTSA-N 0 3 250.386 2.499 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@@H]1CNc2ccnn2C1 ZINC000684197237 541942413 /nfs/dbraw/zinc/94/24/13/541942413.db2.gz BSPVKPLIYWGZRK-AWEZNQCLSA-N 0 3 286.379 2.249 20 30 CEEDHN COc1cc(CN[C@@H]2Cc3ccccc3[C@H]2O)ccc1C#N ZINC000374148398 374501045 /nfs/dbraw/zinc/50/10/45/374501045.db2.gz ZCBKNNXKEJEURK-SJLPKXTDSA-N 0 3 294.354 2.315 20 30 CEEDHN C[C@@H]1COCCN(CCCOc2ccc(C#N)cc2)C1 ZINC000374365685 374553066 /nfs/dbraw/zinc/55/30/66/374553066.db2.gz LLHLRUWEICPCPB-AWEZNQCLSA-N 0 3 274.364 2.295 20 30 CEEDHN C[C@H]1[C@H](Nc2ccncc2C#N)CCN1Cc1ccccc1 ZINC000377135444 374797774 /nfs/dbraw/zinc/79/77/74/374797774.db2.gz CGZGYHLKOWILHH-WMLDXEAASA-N 0 3 292.386 2.450 20 30 CEEDHN C[C@@H]1[C@@H](Nc2ccncc2C#N)CCN1Cc1ccccc1 ZINC000377135442 374798008 /nfs/dbraw/zinc/79/80/08/374798008.db2.gz CGZGYHLKOWILHH-PBHICJAKSA-N 0 3 292.386 2.450 20 30 CEEDHN Cn1cc(CNC[C@@H]2OCCc3ccccc32)cc1C#N ZINC000377025055 374775346 /nfs/dbraw/zinc/77/53/46/374775346.db2.gz OANNLWPSQVJVAH-KRWDZBQOSA-N 0 3 281.359 2.300 20 30 CEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379720527 375155547 /nfs/dbraw/zinc/15/55/47/375155547.db2.gz ZATSMANWZBLEDG-IIAWOOMASA-N 0 3 285.391 2.315 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000280539521 375237091 /nfs/dbraw/zinc/23/70/91/375237091.db2.gz CVRFBHJUOLGLIS-ZYHUDNBSSA-N 0 3 275.352 2.014 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(O)c1OC ZINC000280596310 375256151 /nfs/dbraw/zinc/25/61/51/375256151.db2.gz BXZXZCKRLDQXOL-DZGCQCFKSA-N 0 3 277.364 2.472 20 30 CEEDHN C[S@](=O)C1(CNCc2ccc(C#N)cc2F)CCC1 ZINC000280590681 375254286 /nfs/dbraw/zinc/25/42/86/375254286.db2.gz IMLIJKRONZCUKJ-IBGZPJMESA-N 0 3 280.368 2.088 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc2c1OCO2 ZINC000280747129 375307328 /nfs/dbraw/zinc/30/73/28/375307328.db2.gz XOBKVKFZUSYABM-HIFRSBDPSA-N 0 3 275.348 2.486 20 30 CEEDHN CC[C@H]1[C@H](CO)CCN1Cc1cc(C#N)ccc1F ZINC000386298811 375256847 /nfs/dbraw/zinc/25/68/47/375256847.db2.gz QWSUXJXNUQAKQL-WFASDCNBSA-N 0 3 262.328 2.290 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2cc(C#N)ncn2)CN1Cc1ccccc1 ZINC000398124758 375347023 /nfs/dbraw/zinc/34/70/23/375347023.db2.gz HWJJTCIRGWLWCP-CZUORRHYSA-N 0 3 293.374 2.423 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C)[C@H]1C ZINC000408348237 375459937 /nfs/dbraw/zinc/45/99/37/375459937.db2.gz ZYQNPIYQDNMLBO-BHPKHCPMSA-N 0 3 265.401 2.160 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)NCC1CCC(C#N)CC1 ZINC000408428566 375478479 /nfs/dbraw/zinc/47/84/79/375478479.db2.gz DZWOLLYTVBPPRZ-HESLUPGFSA-N 0 3 277.412 2.305 20 30 CEEDHN C=C[C@H](C)N[C@@H](C)Cn1cc(Br)ccc1=O ZINC000414117038 375795785 /nfs/dbraw/zinc/79/57/85/375795785.db2.gz ROHHJPRMFINSRG-UWVGGRQHSA-N 0 3 285.185 2.163 20 30 CEEDHN CCOC[C@@H](NCC(=O)Nc1sccc1C#N)C(C)C ZINC000286314162 375909457 /nfs/dbraw/zinc/90/94/57/375909457.db2.gz WHORKPIOGXERPX-GFCCVEGCSA-N 0 3 295.408 2.209 20 30 CEEDHN CC(C)N(Cc1cc(C#N)cs1)C[C@H]1CCC(=O)N1 ZINC000414583635 375868973 /nfs/dbraw/zinc/86/89/73/375868973.db2.gz SCJFJGAWJKHSKA-GFCCVEGCSA-N 0 3 277.393 2.109 20 30 CEEDHN Cc1cc(C#N)nc(N[C@@H](C)CN2CCC[C@@H](C)C2)n1 ZINC000286192876 375869011 /nfs/dbraw/zinc/86/90/11/375869011.db2.gz FEYPWYHGMSZIHR-YPMHNXCESA-N 0 3 273.384 2.189 20 30 CEEDHN Cc1cc(C#N)nc(N(C)CCCN(C)Cc2ccco2)n1 ZINC000286585878 376003117 /nfs/dbraw/zinc/00/31/17/376003117.db2.gz RKGRBLYFYKCZIL-UHFFFAOYSA-N 0 3 299.378 2.208 20 30 CEEDHN N#CCSCCCN1CC[C@H](OCc2ccncc2)C1 ZINC000287684850 376292657 /nfs/dbraw/zinc/29/26/57/376292657.db2.gz IIWOGPINPQVEOJ-HNNXBMFYSA-N 0 3 291.420 2.319 20 30 CEEDHN C=CCNC(=O)NC(=O)CN(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419321534 376442111 /nfs/dbraw/zinc/44/21/11/376442111.db2.gz GDNRWSBPAOLLNX-CHWSQXEVSA-N 0 3 295.427 2.145 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2C[C@H]2C2CC2)cc1 ZINC000556690342 376463451 /nfs/dbraw/zinc/46/34/51/376463451.db2.gz ZRFQEKVNDOCLHX-ULQDDVLXSA-N 0 3 293.370 2.403 20 30 CEEDHN CSCC[C@@H](CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000305804646 376497420 /nfs/dbraw/zinc/49/74/20/376497420.db2.gz FWSZNMBEBOGUET-PWSUYJOCSA-N 0 3 282.384 2.462 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2CCC[C@@H]2C2CCC2)cc1 ZINC000263996159 190087802 /nfs/dbraw/zinc/08/78/02/190087802.db2.gz LUFVDTYIWCZNBV-QGZVFWFLSA-N 0 3 297.402 2.439 20 30 CEEDHN C[C@H](NC[C@@H](O)COCC1CC1)c1ccc(C#N)cc1F ZINC000305815410 376503272 /nfs/dbraw/zinc/50/32/72/376503272.db2.gz LUWYOVBOIFGQQH-SMDDNHRTSA-N 0 3 292.354 2.135 20 30 CEEDHN CCN1CCC(NC(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000289837500 376524372 /nfs/dbraw/zinc/52/43/72/376524372.db2.gz PQLUBDYMDGNWBD-UHFFFAOYSA-N 0 3 290.342 2.303 20 30 CEEDHN N#Cc1ccc(N[C@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000307333507 376562713 /nfs/dbraw/zinc/56/27/13/376562713.db2.gz AKECYIGUKDMUAN-HNNXBMFYSA-N 0 3 279.347 2.035 20 30 CEEDHN N#Cc1ccc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)o1 ZINC000289999694 376595111 /nfs/dbraw/zinc/59/51/11/376595111.db2.gz YAVAABHYRNWODO-SJORKVTESA-N 0 3 282.343 2.407 20 30 CEEDHN N#Cc1ccc(OCCN2CC[C@@H](O)CC23CCC3)cc1 ZINC000557672674 376575171 /nfs/dbraw/zinc/57/51/71/376575171.db2.gz OKCAHIANQUGION-OAHLLOKOSA-N 0 3 286.375 2.316 20 30 CEEDHN C[C@H](CF)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000290083609 376635217 /nfs/dbraw/zinc/63/52/17/376635217.db2.gz GPJVAQCDVQESQD-CYBMUJFWSA-N 0 3 275.371 2.470 20 30 CEEDHN C=C1CCN(C[C@@H](O)COCc2ccccc2OC)CC1 ZINC000264568305 190119405 /nfs/dbraw/zinc/11/94/05/190119405.db2.gz UJZKRPFLNNHJKO-MRXNPFEDSA-N 0 3 291.391 2.225 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000559761639 376693442 /nfs/dbraw/zinc/69/34/42/376693442.db2.gz FWZNMPRKJBSXJC-GOSISDBHSA-N 0 3 299.418 2.245 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)CC)CC1 ZINC000420782366 376713250 /nfs/dbraw/zinc/71/32/50/376713250.db2.gz CWTKDSPOOWMPTF-CYBMUJFWSA-N 0 3 267.417 2.372 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1N1CC[C@]2(CCN(C)C2)C1 ZINC000314427768 376774571 /nfs/dbraw/zinc/77/45/71/376774571.db2.gz WIFBULHDFPTGLM-KRWDZBQOSA-N 0 3 283.375 2.293 20 30 CEEDHN C[C@@H](CNc1cccnc1C#N)N1CCC[C@H](C)C1 ZINC000290446202 376780326 /nfs/dbraw/zinc/78/03/26/376780326.db2.gz COOITDOEDBXBIW-STQMWFEESA-N 0 3 258.369 2.486 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)/C=C/CN(C)C ZINC000264659812 190126049 /nfs/dbraw/zinc/12/60/49/190126049.db2.gz VJYMJJVUWQDLCI-DHZHZOJOSA-N 0 3 272.392 2.362 20 30 CEEDHN N#Cc1csc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)c1 ZINC000560630141 376772872 /nfs/dbraw/zinc/77/28/72/376772872.db2.gz SESUWGFOQXKION-GJZGRUSLSA-N 0 3 292.404 2.029 20 30 CEEDHN C=CCN1CC[C@H](N(C)C[C@H]2CCc3ccccc32)C1=O ZINC000685004083 542109451 /nfs/dbraw/zinc/10/94/51/542109451.db2.gz BCVMVTPQPZSYPB-WBVHZDCISA-N 0 3 284.403 2.435 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000320276580 376822985 /nfs/dbraw/zinc/82/29/85/376822985.db2.gz NGRIMBBKCCTZEV-FZMZJTMJSA-N 0 3 277.364 2.045 20 30 CEEDHN C=CCc1cc(CN(C)C[C@H](O)C2CC2)cc(OC)c1O ZINC000685461669 542143128 /nfs/dbraw/zinc/14/31/28/542143128.db2.gz RPDKWXBOTSRZBE-HNNXBMFYSA-N 0 3 291.391 2.332 20 30 CEEDHN COC1([C@@H](C)NCc2ccc(C#N)s2)CCOCC1 ZINC000421409000 376811795 /nfs/dbraw/zinc/81/17/95/376811795.db2.gz ZKXFSTQEMJYZOB-LLVKDONJSA-N 0 3 280.393 2.293 20 30 CEEDHN CCCc1nccn1CC(=O)NC1CCN(C2CC2)CC1 ZINC000328807919 376901589 /nfs/dbraw/zinc/90/15/89/376901589.db2.gz IJPWEJOLOMTLPJ-UHFFFAOYSA-N 0 3 290.411 2.419 20 30 CEEDHN Cc1cc(COCC(=O)N[C@H](C)C2=CCN(C)CC2)on1 ZINC000328746163 376890940 /nfs/dbraw/zinc/89/09/40/376890940.db2.gz POUXRRQPGAUPSQ-GFCCVEGCSA-N 0 3 293.367 2.107 20 30 CEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)c1cccc(-n2cccn2)c1 ZINC000329325433 376946265 /nfs/dbraw/zinc/94/62/65/376946265.db2.gz IQWMWSRPLFEIKM-CQSZACIVSA-N 0 3 296.374 2.414 20 30 CEEDHN Cc1nc(NC2CCN(C)CC2)c(Cl)cc1C#N ZINC000291011009 377031117 /nfs/dbraw/zinc/03/11/17/377031117.db2.gz UWKAPONKPOPBRD-UHFFFAOYSA-N 0 3 264.760 2.421 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CC23CC3)cc1 ZINC000562775101 376997077 /nfs/dbraw/zinc/99/70/77/376997077.db2.gz WUKCWPHSKMOKKA-LSDHHAIUSA-N 0 3 279.343 2.157 20 30 CEEDHN C[C@@](O)(CNCCc1cccc(C#N)c1)C(F)(F)F ZINC000563003494 377054994 /nfs/dbraw/zinc/05/49/94/377054994.db2.gz UMGQJZQFTKFFJN-GFCCVEGCSA-N 0 3 272.270 2.004 20 30 CEEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCO1 ZINC000330663455 377197461 /nfs/dbraw/zinc/19/74/61/377197461.db2.gz XHBLVRJOQQAABB-UKRRQHHQSA-N 0 3 272.348 2.006 20 30 CEEDHN C=CCCCS(=O)(=O)Nc1ccccc1CCN(C)C ZINC000291885703 377214480 /nfs/dbraw/zinc/21/44/80/377214480.db2.gz NPIMUOGIQAXKAK-UHFFFAOYSA-N 0 3 296.436 2.499 20 30 CEEDHN Cc1nc(N2CC[C@@]3(C2)CCCN(C)C3)ccc1C#N ZINC000292873523 377325273 /nfs/dbraw/zinc/32/52/73/377325273.db2.gz TZNSABPZMONFRQ-INIZCTEOSA-N 0 3 270.380 2.184 20 30 CEEDHN C=C(CC)CNC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000563956166 377326617 /nfs/dbraw/zinc/32/66/17/377326617.db2.gz GHOMLKCOHXVJLI-HNNXBMFYSA-N 0 3 273.380 2.220 20 30 CEEDHN C[C@H]1CCC[C@]1(O)CNCc1ccc(C#N)s1 ZINC000292892962 377338326 /nfs/dbraw/zinc/33/83/26/377338326.db2.gz DATJXOHWJMWBJQ-GWCFXTLKSA-N 0 3 250.367 2.260 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000424710436 377286129 /nfs/dbraw/zinc/28/61/29/377286129.db2.gz HYYAJBPKJHHXOB-NEPJUHHUSA-N 0 3 250.386 2.330 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000424760056 377290942 /nfs/dbraw/zinc/29/09/42/377290942.db2.gz LGXHIHRZXZIBTK-LBPRGKRZSA-N 0 3 250.386 2.355 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000424759852 377291218 /nfs/dbraw/zinc/29/12/18/377291218.db2.gz WOGFDQBUSNSZFM-NWDGAFQWSA-N 0 3 270.442 2.093 20 30 CEEDHN C[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C1CCOCC1 ZINC000563815378 377298196 /nfs/dbraw/zinc/29/81/96/377298196.db2.gz NGKRPFIJPIDPOW-LLVKDONJSA-N 0 3 289.335 2.371 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccccc1Cl ZINC000264884658 190141271 /nfs/dbraw/zinc/14/12/71/190141271.db2.gz RXVADTFYJXSDFN-NSHDSACASA-N 0 3 264.756 2.130 20 30 CEEDHN CC[C@H](CNC(=O)C(C#N)CCc1ccccc1)OC ZINC000427920217 377468331 /nfs/dbraw/zinc/46/83/31/377468331.db2.gz ASRJWYNTGGDKKK-HUUCEWRRSA-N 0 3 274.364 2.300 20 30 CEEDHN C[S@](=O)C1(CNCc2cc(C#N)cs2)CCC1 ZINC000332062591 377508159 /nfs/dbraw/zinc/50/81/59/377508159.db2.gz YRUYHEZWOXHTGP-KRWDZBQOSA-N 0 3 268.407 2.011 20 30 CEEDHN Cc1noc([C@H]2CCN(Cc3cccc(C#N)c3)C2)n1 ZINC000332081837 377511336 /nfs/dbraw/zinc/51/13/36/377511336.db2.gz NBBXGYXJJAQKNG-AWEZNQCLSA-N 0 3 268.320 2.239 20 30 CEEDHN C[C@@H]1CC[C@H](N(C)CC(=O)NC2(C#N)CCCCC2)C1 ZINC000429587155 377516482 /nfs/dbraw/zinc/51/64/82/377516482.db2.gz DZHIKVQKEVRKEK-KGLIPLIRSA-N 0 3 277.412 2.449 20 30 CEEDHN CC[C@@H](C(=O)NCC#Cc1ccccc1)N(CC)CC ZINC000265417757 190180510 /nfs/dbraw/zinc/18/05/10/190180510.db2.gz HNVUVWGRVHQUPD-INIZCTEOSA-N 0 3 272.392 2.275 20 30 CEEDHN COCCCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000265435942 190181497 /nfs/dbraw/zinc/18/14/97/190181497.db2.gz GVWIPLBRYPKPMK-UHFFFAOYSA-N 0 3 287.407 2.102 20 30 CEEDHN C=C(Cl)CNC(=O)c1ccccc1OCCN(C)C ZINC000265475923 190185072 /nfs/dbraw/zinc/18/50/72/190185072.db2.gz BAGATLJQHMHMDJ-UHFFFAOYSA-N 0 3 282.771 2.109 20 30 CEEDHN CC(C)[C@@H](C#N)NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000565200954 377601926 /nfs/dbraw/zinc/60/19/26/377601926.db2.gz ZRSVAKYPGOARLW-HZPDHXFCSA-N 0 3 285.391 2.173 20 30 CEEDHN CCCn1nccc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000565243818 377624065 /nfs/dbraw/zinc/62/40/65/377624065.db2.gz AGMKKEDTNBDGLV-GFCCVEGCSA-N 0 3 283.335 2.190 20 30 CEEDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)CC2 ZINC000332651372 377654338 /nfs/dbraw/zinc/65/43/38/377654338.db2.gz NIOSLAJKYVGNRR-GWCFXTLKSA-N 0 3 299.353 2.263 20 30 CEEDHN Cc1cccc(OC[C@@H](O)CNCC2(CC#N)CC2)c1 ZINC000566125432 377729535 /nfs/dbraw/zinc/72/95/35/377729535.db2.gz SDPPYISJAZHGBL-AWEZNQCLSA-N 0 3 274.364 2.018 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CCSCC1 ZINC000433300734 377785564 /nfs/dbraw/zinc/78/55/64/377785564.db2.gz UIABKBSHVHRUSD-CQSZACIVSA-N 0 3 274.389 2.334 20 30 CEEDHN C[C@H](CNC(=O)c1cscc1C#N)N1CCC(C)CC1 ZINC000433100939 377780447 /nfs/dbraw/zinc/78/04/47/377780447.db2.gz ADRUBRMEKOFOHH-GFCCVEGCSA-N 0 3 291.420 2.470 20 30 CEEDHN COCCCCNC(=O)C(C#N)CCc1ccccc1 ZINC000433218751 377781315 /nfs/dbraw/zinc/78/13/15/377781315.db2.gz JPNXSEYCDHMYLU-OAHLLOKOSA-N 0 3 274.364 2.302 20 30 CEEDHN C[C@H](Cn1cccn1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433223089 377782351 /nfs/dbraw/zinc/78/23/51/377782351.db2.gz MELQMBKUXMIMIY-ZBFHGGJFSA-N 0 3 296.374 2.160 20 30 CEEDHN CCN(CCNC(=O)[C@@]1(C#N)CC12CCCC2)C1CC1 ZINC000566399823 377758803 /nfs/dbraw/zinc/75/88/03/377758803.db2.gz UWTKFTIJIFYMQQ-INIZCTEOSA-N 0 3 275.396 2.061 20 30 CEEDHN N#CCC1CCN(Cc2c[nH]c3nccnc23)CC1 ZINC000566650236 377764060 /nfs/dbraw/zinc/76/40/60/377764060.db2.gz SLABDGOOSORHKJ-UHFFFAOYSA-N 0 3 255.325 2.035 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000432555235 377774195 /nfs/dbraw/zinc/77/41/95/377774195.db2.gz GXIQSBSESVSVDJ-MRXNPFEDSA-N 0 3 279.428 2.326 20 30 CEEDHN C[C@H](C(=O)NCC1(CC#N)CC1)N1[C@H](C)CC[C@H]1C ZINC000435959345 377814057 /nfs/dbraw/zinc/81/40/57/377814057.db2.gz QENJMUKUQFAYAZ-JHJVBQTASA-N 0 3 263.385 2.058 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCCCO1 ZINC000433307232 377787027 /nfs/dbraw/zinc/78/70/27/377787027.db2.gz UXXSXJSQVQDKMK-JKSUJKDBSA-N 0 3 286.375 2.444 20 30 CEEDHN COCCCN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433313048 377787317 /nfs/dbraw/zinc/78/73/17/377787317.db2.gz OQFPGOGITWWTCJ-HNNXBMFYSA-N 0 3 274.364 2.254 20 30 CEEDHN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)C(C)C#N ZINC000440039446 377928915 /nfs/dbraw/zinc/92/89/15/377928915.db2.gz XCYAUYFCQORZIP-CZUORRHYSA-N 0 3 274.364 2.336 20 30 CEEDHN C=CCOc1ccc(C(=O)NCC2(N(C)C)CCC2)cc1 ZINC000438517131 377905787 /nfs/dbraw/zinc/90/57/87/377905787.db2.gz LKHNPINDKOHORV-UHFFFAOYSA-N 0 3 288.391 2.466 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1cc2ccccc2o1 ZINC000294729618 378015618 /nfs/dbraw/zinc/01/56/18/378015618.db2.gz WEWKEOZPMQKNKE-GFCCVEGCSA-N 0 3 270.332 2.223 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCCNc2nccc(C(F)(F)F)n2)C1 ZINC000442775185 377993743 /nfs/dbraw/zinc/99/37/43/377993743.db2.gz FTPGROMPBTVBNO-ZJUUUORDSA-N 0 3 299.300 2.189 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@H](CO)Cc2ccc(F)cc2)C1 ZINC000442820751 378004789 /nfs/dbraw/zinc/00/47/89/378004789.db2.gz AHBPXUUPPKFJNP-SNPRPXQTSA-N 0 3 262.328 2.011 20 30 CEEDHN C#Cc1ccc(CN[C@H](CC)[C@@H](O)C(F)F)cc1 ZINC000294997083 378033895 /nfs/dbraw/zinc/03/38/95/378033895.db2.gz ICWCTFORZXMZHR-CHWSQXEVSA-N 0 3 253.292 2.162 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(C2CC2)c1 ZINC000295288951 378086135 /nfs/dbraw/zinc/08/61/35/378086135.db2.gz DOKDXGURXXXFSY-CHWSQXEVSA-N 0 3 270.376 2.353 20 30 CEEDHN C#CCSCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294838215 378022873 /nfs/dbraw/zinc/02/28/73/378022873.db2.gz RQEUYPRMUQWNFU-JTQLQIEISA-N 0 3 279.365 2.194 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000295404971 378142526 /nfs/dbraw/zinc/14/25/26/378142526.db2.gz RXNNTKXUWGUMND-CYBMUJFWSA-N 0 3 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270.376 2.016 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(CC)cc1 ZINC000268838377 190440287 /nfs/dbraw/zinc/44/02/87/190440287.db2.gz UYIZRPLUXNCPLI-CYBMUJFWSA-N 0 3 258.365 2.039 20 30 CEEDHN C#CC(C)(C)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000279155332 194308704 /nfs/dbraw/zinc/30/87/04/194308704.db2.gz AVYVEHQOJDCWAZ-UHFFFAOYSA-N 0 3 262.309 2.317 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc(C#N)cs2)C1 ZINC000334743908 207004064 /nfs/dbraw/zinc/00/40/64/207004064.db2.gz GHRBFBYOGGGYAJ-LBPRGKRZSA-N 0 3 277.393 2.174 20 30 CEEDHN N#CCC[C@@H](C#N)CNC1CCN(Cc2ccccn2)CC1 ZINC000554834301 380796618 /nfs/dbraw/zinc/79/66/18/380796618.db2.gz XWMSLFFKNLEKIH-HNNXBMFYSA-N 0 3 297.406 2.079 20 30 CEEDHN C=CCN(C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000495509953 381174499 /nfs/dbraw/zinc/17/44/99/381174499.db2.gz FSDCEMITROWIAV-LBPRGKRZSA-N 0 3 254.374 2.408 20 30 CEEDHN CC(C#N)C(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000495575686 381178277 /nfs/dbraw/zinc/17/82/77/381178277.db2.gz SYCKPPCEJGWLRD-LLVKDONJSA-N 0 3 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C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000328912041 394556570 /nfs/dbraw/zinc/55/65/70/394556570.db2.gz GXRGCHJTWVGUBD-LFSVMHDDSA-N 0 3 279.384 2.181 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000329971454 394598214 /nfs/dbraw/zinc/59/82/14/394598214.db2.gz YLBMKEXMWNDQTE-XQQFMLRXSA-N 0 3 295.427 2.215 20 30 CEEDHN COc1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc(C)n1 ZINC000330386839 394603736 /nfs/dbraw/zinc/60/37/36/394603736.db2.gz VKWFUFVEFJRRNC-GFCCVEGCSA-N 0 3 289.379 2.354 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCSCC1)N1[C@H](C)CC[C@@H]1C ZINC000413637149 394607596 /nfs/dbraw/zinc/60/75/96/394607596.db2.gz YGIBQUVEFZYHEA-FRRDWIJNSA-N 0 3 295.452 2.153 20 30 CEEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cnc[nH]1 ZINC000330432567 394609356 /nfs/dbraw/zinc/60/93/56/394609356.db2.gz JTFOBAIYBUOMQA-GFCCVEGCSA-N 0 3 264.373 2.369 20 30 CEEDHN C[C@@H]1OCCN(C(=O)C(C#N)CCc2ccccc2)[C@H]1C ZINC000330453409 394611432 /nfs/dbraw/zinc/61/14/32/394611432.db2.gz 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/nfs/dbraw/zinc/73/56/87/394735687.db2.gz FKBWQZQSOXHHIK-RYUDHWBXSA-N 0 3 253.390 2.123 20 30 CEEDHN Cc1csc(C2(NC(=O)C(C)C#N)CCCC2)n1 ZINC000334305096 394672866 /nfs/dbraw/zinc/67/28/66/394672866.db2.gz GKKPBIIZWGNFNA-VIFPVBQESA-N 0 3 263.366 2.497 20 30 CEEDHN C[C@H]1[C@H](C)N(Cc2ccc(F)cc2C#N)CCN1C ZINC000357001450 394677991 /nfs/dbraw/zinc/67/79/91/394677991.db2.gz MKPHLDFDSNTARD-RYUDHWBXSA-N 0 3 261.344 2.222 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2Cc3ccccc32)CC1 ZINC000359413875 394752461 /nfs/dbraw/zinc/75/24/61/394752461.db2.gz PKCSPRFROIZPRX-INIZCTEOSA-N 0 3 270.376 2.093 20 30 CEEDHN CC(C)(C#N)CCN1CCC(N2CCCC2=O)CC1 ZINC000119633997 394769841 /nfs/dbraw/zinc/76/98/41/394769841.db2.gz MCYDJRVJRCBMJA-UHFFFAOYSA-N 0 3 263.385 2.013 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)[C@H](C)COC)CC1 ZINC000360175587 394792363 /nfs/dbraw/zinc/79/23/63/394792363.db2.gz LTHQYQDJRUCHBB-ZIAGYGMSSA-N 0 3 282.428 2.062 20 30 CEEDHN COc1cc(CNCCC(=O)OC(C)(C)C)ccc1C#N ZINC000281859436 394864346 /nfs/dbraw/zinc/86/43/46/394864346.db2.gz ZWDDKJHPTXCDKJ-UHFFFAOYSA-N 0 3 290.363 2.388 20 30 CEEDHN C[C@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1CO ZINC000362070712 394843888 /nfs/dbraw/zinc/84/38/88/394843888.db2.gz HAFTUQUSMWOIGN-JSGCOSHPSA-N 0 3 263.768 2.252 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC000336408001 394852301 /nfs/dbraw/zinc/85/23/01/394852301.db2.gz SVNXHUVMJZVRCX-STQMWFEESA-N 0 3 297.468 2.172 20 30 CEEDHN N#CCC[C@@H](C#N)CNCC1(CCO)CCCCC1 ZINC000575123818 335069479 /nfs/dbraw/zinc/06/94/79/335069479.db2.gz ZOXQHYVMSAYPEQ-AWEZNQCLSA-N 0 3 263.385 2.352 20 30 CEEDHN CN(C)c1noc([C@@H]2CCCN(CCC(C)(C)C#N)C2)n1 ZINC000338310555 394913461 /nfs/dbraw/zinc/91/34/61/394913461.db2.gz BBTBDHFMCJGLQV-GFCCVEGCSA-N 0 3 291.399 2.255 20 30 CEEDHN C=CCN1CCC(N[C@@H](C)c2cc(C)n(C)n2)CC1 ZINC000282221344 394914067 /nfs/dbraw/zinc/91/40/67/394914067.db2.gz OXKYDFUMTORCRA-ZDUSSCGKSA-N 0 3 262.401 2.030 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CSC2(C)C)CC1 ZINC000338460890 394920296 /nfs/dbraw/zinc/92/02/96/394920296.db2.gz SJKDNTWKUNHXML-ZDUSSCGKSA-N 0 3 297.468 2.220 20 30 CEEDHN CC[C@H]1CN2CCCC[C@@H]2CN1Cc1cc(C#N)n(C)c1 ZINC000365232806 394923520 /nfs/dbraw/zinc/92/35/20/394923520.db2.gz FTQRJXRGUYDWEF-JKSUJKDBSA-N 0 3 286.423 2.345 20 30 CEEDHN N#Cc1cccc(C#N)c1NC1CCN([C@H]2CCOC2)CC1 ZINC000365544363 394926563 /nfs/dbraw/zinc/92/65/63/394926563.db2.gz HETFTBXABGXMRG-INIZCTEOSA-N 0 3 296.374 2.095 20 30 CEEDHN Cc1cn[nH]c1CN1CCCN(c2ccc(C#N)cc2)CC1 ZINC000365666447 394930410 /nfs/dbraw/zinc/93/04/10/394930410.db2.gz JXUYMNSJEDABQK-UHFFFAOYSA-N 0 3 295.390 2.302 20 30 CEEDHN COC(=O)[C@@H](C)[C@H](NCCOCCC#N)c1ccccc1 ZINC000339041988 394938587 /nfs/dbraw/zinc/93/85/87/394938587.db2.gz DNTSJSQTYYDZLO-ZFWWWQNUSA-N 0 3 290.363 2.057 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N(C)CC1CCN(C)CC1)OCC ZINC000339345312 394956359 /nfs/dbraw/zinc/95/63/59/394956359.db2.gz GJHLDPZHFDMFPA-OAHLLOKOSA-N 0 3 282.428 2.158 20 30 CEEDHN CN1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000366223585 394940965 /nfs/dbraw/zinc/94/09/65/394940965.db2.gz MKLBBNSWXMUKQN-MRXNPFEDSA-N 0 3 285.391 2.238 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000284578859 394946714 /nfs/dbraw/zinc/94/67/14/394946714.db2.gz ZDWZSUQMXLTCCJ-CABCVRRESA-N 0 3 288.391 2.124 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(F)c(C#N)c1 ZINC000285914092 394983526 /nfs/dbraw/zinc/98/35/26/394983526.db2.gz KYNYNYZEWOHEAM-AWEZNQCLSA-N 0 3 289.354 2.302 20 30 CEEDHN CC(C)(CC#N)CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000416002439 394995846 /nfs/dbraw/zinc/99/58/46/394995846.db2.gz DCYUYZDZCITOBV-UHFFFAOYSA-N 0 3 272.352 2.351 20 30 CEEDHN N#CC1(NC(=O)CN2C[C@@H]3CCC[C@H]3C2)CCCCC1 ZINC000152713755 394997999 /nfs/dbraw/zinc/99/79/99/394997999.db2.gz QKLCDVGJTLSUAT-KBPBESRZSA-N 0 3 275.396 2.061 20 30 CEEDHN C=CCC[C@H](NCCN(C)CCOC)c1ccco1 ZINC000286021585 395001910 /nfs/dbraw/zinc/00/19/10/395001910.db2.gz JTSAXXFYZNAMCS-AWEZNQCLSA-N 0 3 266.385 2.455 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000155734419 395029431 /nfs/dbraw/zinc/02/94/31/395029431.db2.gz VCMUBLUEZCCCKY-SJORKVTESA-N 0 3 288.435 2.417 20 30 CEEDHN CCN1CCN(CC#Cc2ccc(F)cc2)[C@H](C)C1 ZINC000286574620 395024974 /nfs/dbraw/zinc/02/49/74/395024974.db2.gz PVMSFUOJTKCIFH-CQSZACIVSA-N 0 3 260.356 2.203 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1conc1CC ZINC000339384600 394958218 /nfs/dbraw/zinc/95/82/18/394958218.db2.gz GVQDKILLYMTAAZ-RISCZKNCSA-N 0 3 250.342 2.308 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)C1(C#N)CCC1)C(C)C ZINC000134931381 394960446 /nfs/dbraw/zinc/96/04/46/394960446.db2.gz FAFSPOZMDICRLG-OAHLLOKOSA-N 0 3 289.423 2.495 20 30 CEEDHN C=CCC[C@H](O)CNC(C)(C)c1c(C)noc1C ZINC000285703447 394962230 /nfs/dbraw/zinc/96/22/30/394962230.db2.gz PFTPNKRNCWVTCM-LBPRGKRZSA-N 0 3 252.358 2.443 20 30 CEEDHN CC#CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000135579700 394967086 /nfs/dbraw/zinc/96/70/86/394967086.db2.gz UHPPLNFDKWDCKN-RDJZCZTQSA-N 0 3 299.418 2.220 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000285818423 394968574 /nfs/dbraw/zinc/96/85/74/394968574.db2.gz NQAVPGATAFQHPO-AAEUAGOBSA-N 0 3 287.363 2.159 20 30 CEEDHN N#CCCCN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000151217729 394975997 /nfs/dbraw/zinc/97/59/97/394975997.db2.gz DHPRYCRPUOQCDU-UHFFFAOYSA-N 0 3 287.363 2.346 20 30 CEEDHN C=CCSCCNC(=O)Nc1cccc(CNC)c1 ZINC000415919198 394977833 /nfs/dbraw/zinc/97/78/33/394977833.db2.gz MPIXPDZSKNFIHU-UHFFFAOYSA-N 0 3 279.409 2.447 20 30 CEEDHN C=C(C)CN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000372804834 395047441 /nfs/dbraw/zinc/04/74/41/395047441.db2.gz GESGRUOOPVCDOP-DZGCQCFKSA-N 0 3 262.328 2.263 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000372833159 395047482 /nfs/dbraw/zinc/04/74/82/395047482.db2.gz YRKJHTLBAHSSPT-ZDUSSCGKSA-N 0 3 266.385 2.341 20 30 CEEDHN C[C@@H]1CN2CCC[C@H]2CN1c1ncc2c(c1C#N)CCC2 ZINC000425233149 395053239 /nfs/dbraw/zinc/05/32/39/395053239.db2.gz VRSGMJJBADUMSR-OCCSQVGLSA-N 0 3 282.391 2.115 20 30 CEEDHN C#Cc1ccc(CN2CCC(c3nncn3C)CC2)cc1 ZINC000373339374 395059291 /nfs/dbraw/zinc/05/92/91/395059291.db2.gz YNMDKWSPWIGBFM-UHFFFAOYSA-N 0 3 280.375 2.176 20 30 CEEDHN C#Cc1ccc(CN2CCC(N3CCO[C@@H](C)C3)CC2)cc1 ZINC000373342063 395059449 /nfs/dbraw/zinc/05/94/49/395059449.db2.gz UXFSRWQIPVXUMR-INIZCTEOSA-N 0 3 298.430 2.353 20 30 CEEDHN CCC[C@H]1CN(c2ccc(C#N)cc2)CCN1CCOC ZINC000162488211 395075390 /nfs/dbraw/zinc/07/53/90/395075390.db2.gz SGKQPWHMKGBSFM-KRWDZBQOSA-N 0 3 287.407 2.495 20 30 CEEDHN COc1ccc(Cl)cc1CN(C)C(=O)C(C)C#N ZINC000345820638 395079340 /nfs/dbraw/zinc/07/93/40/395079340.db2.gz UZXWCALCGKCLLF-SECBINFHSA-N 0 3 266.728 2.467 20 30 CEEDHN CC#CCN1CCC[C@H]1[C@H](O)c1ccc(OC)cc1 ZINC000374424924 395082214 /nfs/dbraw/zinc/08/22/14/395082214.db2.gz XVOOCJAQDXALNF-JKSUJKDBSA-N 0 3 259.349 2.216 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cnc([C@@H](C)O)s1 ZINC000289760413 395086484 /nfs/dbraw/zinc/08/64/84/395086484.db2.gz QHQDNRFYTWOIPZ-MDZLAQPJSA-N 0 3 282.409 2.267 20 30 CEEDHN COc1cc(CNC(=O)C(C)C#N)c2ccccc2n1 ZINC000346233788 395092170 /nfs/dbraw/zinc/09/21/70/395092170.db2.gz WZSIEBDFEQDZCJ-SNVBAGLBSA-N 0 3 269.304 2.019 20 30 CEEDHN Cc1cc(C#N)cc(N2CCN(C)[C@@H](C(C)C)C2)n1 ZINC000343213380 395034190 /nfs/dbraw/zinc/03/41/90/395034190.db2.gz DSOHYXGWRPVLGX-CQSZACIVSA-N 0 3 258.369 2.038 20 30 CEEDHN CN(CC1(C#N)CC1)C1CCN(CCc2ccccn2)CC1 ZINC000343312611 395035819 /nfs/dbraw/zinc/03/58/19/395035819.db2.gz BRKWAUAPYKKHTL-UHFFFAOYSA-N 0 3 298.434 2.324 20 30 CEEDHN CN(C(=O)c1cccc(CC#N)c1)[C@H]1CCN(C2CC2)C1 ZINC000347006137 395116017 /nfs/dbraw/zinc/11/60/17/395116017.db2.gz FLHSZYCBIBVNKJ-INIZCTEOSA-N 0 3 283.375 2.061 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000376407048 395119592 /nfs/dbraw/zinc/11/95/92/395119592.db2.gz KWTSDKMOHBLRPL-ZJIFWQFVSA-N 0 3 292.423 2.053 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000347731132 395129329 /nfs/dbraw/zinc/12/93/29/395129329.db2.gz ZTYGUFREPQHTIG-BZPMIXESSA-N 0 3 258.321 2.135 20 30 CEEDHN CC(C)[C@@](C)(CO)NC(=O)C(C#N)CCc1ccccc1 ZINC000427391055 395109318 /nfs/dbraw/zinc/10/93/18/395109318.db2.gz OKQVAYKDBKPJDE-DOTOQJQBSA-N 0 3 288.391 2.282 20 30 CEEDHN CC(C)n1c(CNC(=O)C(C)C#N)nc2ccccc21 ZINC000346848177 395110383 /nfs/dbraw/zinc/11/03/83/395110383.db2.gz PSWXEVYEEJLNKQ-LLVKDONJSA-N 0 3 270.336 2.393 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2c(C#N)cccc2C#N)CCN1C ZINC000436386621 395113020 /nfs/dbraw/zinc/11/30/20/395113020.db2.gz JFDIDCSQHWZMPC-RISCZKNCSA-N 0 3 254.337 2.325 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](CN2CCOC2=O)C1 ZINC000495968774 395151679 /nfs/dbraw/zinc/15/16/79/395151679.db2.gz KVZWUIJKWVWWBZ-DZGCQCFKSA-N 0 3 299.374 2.393 20 30 CEEDHN C[C@@H]1C[C@H]1N1CCN(Cc2nc(C#N)cs2)C[C@@H](C)C1 ZINC000430173042 395162865 /nfs/dbraw/zinc/16/28/65/395162865.db2.gz XTKBVTGJNQZTGW-YRGRVCCFSA-N 0 3 290.436 2.177 20 30 CEEDHN COC(=O)c1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000348903912 395153678 /nfs/dbraw/zinc/15/36/78/395153678.db2.gz IQGSFRPXOBIUOP-FZMZJTMJSA-N 0 3 258.321 2.255 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000519829722 395226641 /nfs/dbraw/zinc/22/66/41/395226641.db2.gz XBLXHJCYLJXXKJ-HIFRSBDPSA-N 0 3 287.319 2.124 20 30 CEEDHN C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000182000472 395229024 /nfs/dbraw/zinc/22/90/24/395229024.db2.gz LPYBTLAKUNMURA-TZMCWYRMSA-N 0 3 299.374 2.003 20 30 CEEDHN C=CCOCCN(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000293382070 395233035 /nfs/dbraw/zinc/23/30/35/395233035.db2.gz GJVMQLFAUKSJAI-CQSZACIVSA-N 0 3 286.379 2.463 20 30 CEEDHN C#CCNC(=O)CCN(C)Cc1cccc(C(F)(F)F)c1 ZINC000293474812 395235874 /nfs/dbraw/zinc/23/58/74/395235874.db2.gz LZRBERIVKJCEFG-UHFFFAOYSA-N 0 3 298.308 2.277 20 30 CEEDHN C=CCN1CC[C@@H](N(CC)[C@H]2CCOC(C)(C)C2)C1=O ZINC000351920332 395239554 /nfs/dbraw/zinc/23/95/54/395239554.db2.gz ZRXFPQHXBKGHSO-UONOGXRCSA-N 0 3 280.412 2.053 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000352439879 395254431 /nfs/dbraw/zinc/25/44/31/395254431.db2.gz UWBNJPDLZKPFIC-WBVHZDCISA-N 0 3 294.439 2.302 20 30 CEEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000352418199 395251777 /nfs/dbraw/zinc/25/17/77/395251777.db2.gz AACDGSDHHGYYLY-FDMGOTLNSA-N 0 3 278.377 2.103 20 30 CEEDHN C=CC[C@@H](CO)CN[C@@H](CC)c1ccc(F)cn1 ZINC000353000140 395283917 /nfs/dbraw/zinc/28/39/17/395283917.db2.gz QKHAASAXQVSKQJ-YPMHNXCESA-N 0 3 252.333 2.446 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000353004013 395284252 /nfs/dbraw/zinc/28/42/52/395284252.db2.gz BAVOJHYSNKKSNA-OSAQELSMSA-N 0 3 250.386 2.188 20 30 CEEDHN N#Cc1cnc(NC[C@H]2CCN2C2CCCCC2)cn1 ZINC000528116013 395285669 /nfs/dbraw/zinc/28/56/69/395285669.db2.gz RRDNRFRCBANQRE-CQSZACIVSA-N 0 3 271.368 2.167 20 30 CEEDHN CC(C)NC(=O)CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353274093 395293331 /nfs/dbraw/zinc/29/33/31/395293331.db2.gz FPCGKHLDBPYHKX-OAHLLOKOSA-N 0 3 271.364 2.050 20 30 CEEDHN C=CCCCCNC(=O)N1CCN(C)CC[C@@H]1C ZINC000353337401 395295556 /nfs/dbraw/zinc/29/55/56/395295556.db2.gz PXXPIUMQXOSHBI-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN CC(=O)NC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187665020 395303584 /nfs/dbraw/zinc/30/35/84/395303584.db2.gz ZIXCGIUDJMBNQQ-LBPRGKRZSA-N 0 3 271.364 2.220 20 30 CEEDHN COCC[C@@H](COC)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000353652461 395304614 /nfs/dbraw/zinc/30/46/14/395304614.db2.gz XBUFMZKTSHODSP-FZMZJTMJSA-N 0 3 280.343 2.399 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000411305624 395326844 /nfs/dbraw/zinc/32/68/44/395326844.db2.gz DODVUWJMYTUHRU-VXGBXAGGSA-N 0 3 252.358 2.342 20 30 CEEDHN COC(=O)Cc1cccc(C(=O)C(C#N)c2ccccn2)c1 ZINC000188676689 395319150 /nfs/dbraw/zinc/31/91/50/395319150.db2.gz HILOAPLHVKPOMD-AWEZNQCLSA-N 0 3 294.310 2.287 20 30 CEEDHN CC1CCC(O)(CN2CCC(F)(C#N)CC2)CC1 ZINC000352482686 395258437 /nfs/dbraw/zinc/25/84/37/395258437.db2.gz HGFRYVLFCVALKJ-UHFFFAOYSA-N 0 3 254.349 2.255 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)CS1 ZINC000412593031 395361139 /nfs/dbraw/zinc/36/11/39/395361139.db2.gz LFBUQTHFRPDMED-DFBGVHRSSA-N 0 3 299.399 2.251 20 30 CEEDHN C=CCOc1ccc(CC(=O)N[C@@H]2CCN(CC)C2)cc1 ZINC000412870123 395368748 /nfs/dbraw/zinc/36/87/48/395368748.db2.gz FJCVRUSZVTUCPI-OAHLLOKOSA-N 0 3 288.391 2.004 20 30 CEEDHN N#C[C@H]1CC[C@H](NCCNC(=O)c2ccc(Cl)cc2)C1 ZINC000442788616 395394686 /nfs/dbraw/zinc/39/46/86/395394686.db2.gz WYNPTUMLMLQOAW-FZMZJTMJSA-N 0 3 291.782 2.352 20 30 CEEDHN COCC1(O)CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411425927 395328029 /nfs/dbraw/zinc/32/80/29/395328029.db2.gz YGJAWHWCBXTTHG-UHFFFAOYSA-N 0 3 280.412 2.324 20 30 CEEDHN CO[C@H](C)CN(CC(=O)NC1(C#N)CCCCC1)C(C)C ZINC000354444417 395332956 /nfs/dbraw/zinc/33/29/56/395332956.db2.gz ZFCGGNVVEQDWNI-CQSZACIVSA-N 0 3 295.427 2.074 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000411783125 395339636 /nfs/dbraw/zinc/33/96/36/395339636.db2.gz FJTFMBPAMIRCNM-FPCVCCKLSA-N 0 3 292.423 2.101 20 30 CEEDHN CN(CC(=O)NCC#N)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000412015440 395344331 /nfs/dbraw/zinc/34/43/31/395344331.db2.gz SMLMJEROXZVWJQ-CVEARBPZSA-N 0 3 285.391 2.284 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC(CCO)CC1 ZINC000534309744 395463142 /nfs/dbraw/zinc/46/31/42/395463142.db2.gz WIZAWKQDUJMHFN-UHFFFAOYSA-N 0 3 274.364 2.161 20 30 CEEDHN Cc1cc(CN[C@H](C)Cn2ccnc2)ccc1C#N ZINC000443956781 395406556 /nfs/dbraw/zinc/40/65/56/395406556.db2.gz ADHHHGYCFYIJBW-CYBMUJFWSA-N 0 3 254.337 2.242 20 30 CEEDHN Cc1cc(CN[C@@H](C)CO[C@H]2CCOC2)ccc1C#N ZINC000443987762 395409699 /nfs/dbraw/zinc/40/96/99/395409699.db2.gz LCUWMYCUMPKYQY-BBRMVZONSA-N 0 3 274.364 2.150 20 30 CEEDHN CCC[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccccc1 ZINC000573070067 395599371 /nfs/dbraw/zinc/59/93/71/395599371.db2.gz MTSSVDLSBWCTMX-DLBZAZTESA-N 0 3 289.423 2.324 20 30 CEEDHN C=C1CCN(C(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000568150252 395549942 /nfs/dbraw/zinc/54/99/42/395549942.db2.gz AIBYNEVGXWPUKP-CQSZACIVSA-N 0 3 262.328 2.047 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC2(CCCC2)CC1 ZINC000568446780 395559990 /nfs/dbraw/zinc/55/99/90/395559990.db2.gz UDWNVHXOLFNRHA-ZDUSSCGKSA-N 0 3 250.386 2.333 20 30 CEEDHN C[C@H](C#N)CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000568460911 395560767 /nfs/dbraw/zinc/56/07/67/395560767.db2.gz SQOOSXLLDHKUJU-TZMCWYRMSA-N 0 3 263.385 2.059 20 30 CEEDHN Cc1ccc(N2CCN(C3CC3)C[C@H](C)C2)nc1C#N ZINC000450549957 395572566 /nfs/dbraw/zinc/57/25/66/395572566.db2.gz WXBLXODNRYTHRD-LBPRGKRZSA-N 0 3 270.380 2.182 20 30 CEEDHN CNC(=O)C[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000453370254 395628129 /nfs/dbraw/zinc/62/81/29/395628129.db2.gz NFTCFQOYUOTNHC-NHYWBVRUSA-N 0 3 271.364 2.050 20 30 CEEDHN C[C@@H](CNC(C)(C)c1cccc(C#N)c1)CS(C)(=O)=O ZINC000595635942 395666298 /nfs/dbraw/zinc/66/62/98/395666298.db2.gz PRHLBBHCGLIZRP-LBPRGKRZSA-N 0 3 294.420 2.064 20 30 CEEDHN CC(C)COC[C@@H](O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595635907 395666388 /nfs/dbraw/zinc/66/63/88/395666388.db2.gz PBRYUMGRNDWOGB-INIZCTEOSA-N 0 3 290.407 2.416 20 30 CEEDHN Cn1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1=O ZINC000595635840 395666415 /nfs/dbraw/zinc/66/64/15/395666415.db2.gz MLJYMCIPVTWOGN-UHFFFAOYSA-N 0 3 281.359 2.282 20 30 CEEDHN COc1ccc(CN2CCN(C)[C@H](C(C)C)C2)cc1C#N ZINC000487967753 395667664 /nfs/dbraw/zinc/66/76/64/395667664.db2.gz DCYHABISXNXDAH-INIZCTEOSA-N 0 3 287.407 2.339 20 30 CEEDHN CC(C#N)C(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000491464423 395669785 /nfs/dbraw/zinc/66/97/85/395669785.db2.gz OKRRCNBDTNLEPR-WOPDTQHZSA-N 0 3 295.383 2.002 20 30 CEEDHN C=CCn1cc(C(=O)Nc2ccc(C)cc2CN(C)C)nn1 ZINC000648288120 395880202 /nfs/dbraw/zinc/88/02/02/395880202.db2.gz IBVUZUSJHDSDPH-UHFFFAOYSA-N 0 3 299.378 2.086 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCc2ccc(C(C)=O)cc2CC1 ZINC000649397072 396141345 /nfs/dbraw/zinc/14/13/45/396141345.db2.gz PSCDRPHCESVYOI-QGZVFWFLSA-N 0 3 273.376 2.227 20 30 CEEDHN C=CCOCCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000649358495 396128385 /nfs/dbraw/zinc/12/83/85/396128385.db2.gz WVWCPWFQFTZZCS-OAHLLOKOSA-N 0 3 280.412 2.102 20 30 CEEDHN CCC#C[C@@H](C)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000649781031 396257882 /nfs/dbraw/zinc/25/78/82/396257882.db2.gz RIAQATYCIQWWNO-QLFBSQMISA-N 0 3 270.376 2.069 20 30 CEEDHN C=CCNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000042925490 400138037 /nfs/dbraw/zinc/13/80/37/400138037.db2.gz MTAJOTSGFVQQJE-UHFFFAOYSA-N 0 3 287.407 2.398 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@H](CCCO)C1 ZINC000452122076 400581519 /nfs/dbraw/zinc/58/15/19/400581519.db2.gz OCEMZOSIRMWSSH-ZDUSSCGKSA-N 0 3 274.364 2.161 20 30 CEEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)[C@H]1C ZINC000489028716 400587072 /nfs/dbraw/zinc/58/70/72/400587072.db2.gz RENRJSQRZLLFBE-SWLSCSKDSA-N 0 3 272.348 2.250 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCN1CCCCC1 ZINC000649887458 400741129 /nfs/dbraw/zinc/74/11/29/400741129.db2.gz HQSNQTRURHVLBX-MRXNPFEDSA-N 0 3 295.471 2.217 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@]2(CC2(F)F)C1 ZINC000649901726 400748824 /nfs/dbraw/zinc/74/88/24/400748824.db2.gz PYRIHPIPCTVPIG-JSGCOSHPSA-N 0 3 284.350 2.307 20 30 CEEDHN COCCN1CCC(Nc2cccc(C#N)c2)CC1 ZINC000359940506 155175078 /nfs/dbraw/zinc/17/50/78/155175078.db2.gz QELOIKSGRFXILG-UHFFFAOYSA-N 0 3 259.353 2.081 20 30 CEEDHN COC(=O)[C@@H](C)CN(Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000191984112 153200103 /nfs/dbraw/zinc/20/01/03/153200103.db2.gz NHAQMEMESVCVAQ-NSHDSACASA-N 0 3 290.338 2.471 20 30 CEEDHN C[C@@H](O)C[C@H]1CCCN1Cc1cccc(C#N)c1F ZINC000223567077 153318426 /nfs/dbraw/zinc/31/84/26/153318426.db2.gz KAZBTGGWHUZICT-BXUZGUMPSA-N 0 3 262.328 2.433 20 30 CEEDHN N#Cc1csc(CNCc2cccc(CO)c2)c1 ZINC000224160931 153320354 /nfs/dbraw/zinc/32/03/54/153320354.db2.gz SAGOUIYEVBMVIN-UHFFFAOYSA-N 0 3 258.346 2.402 20 30 CEEDHN COc1cc(CN[C@@]2(C)CCCOC2)ccc1C#N ZINC000234947361 153428469 /nfs/dbraw/zinc/42/84/69/153428469.db2.gz QKUNKZCBFFPDQM-HNNXBMFYSA-N 0 3 260.337 2.226 20 30 CEEDHN N#Cc1csc(CN[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000346808234 154295806 /nfs/dbraw/zinc/29/58/06/154295806.db2.gz YRADGLRMVCHYMT-AWEZNQCLSA-N 0 3 290.363 2.452 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc(C#N)cc1F ZINC000358789198 154775317 /nfs/dbraw/zinc/77/53/17/154775317.db2.gz HOOLFKMXYMHZDN-WDEREUQCSA-N 0 3 278.327 2.375 20 30 CEEDHN COC(=O)[C@@]12CCC[C@H]1CN(Cc1ccc(C#N)s1)C2 ZINC000374683763 157003594 /nfs/dbraw/zinc/00/35/94/157003594.db2.gz SLWMUJBDVKQFGI-XHDPSFHLSA-N 0 3 290.388 2.395 20 30 CEEDHN N#Cc1cc(CNC2(CO)Cc3ccccc3C2)ccc1F ZINC000378097910 162742811 /nfs/dbraw/zinc/74/28/11/162742811.db2.gz AGTZQGBCGGNING-UHFFFAOYSA-N 0 3 296.345 2.317 20 30 CEEDHN C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)C(=O)N(C)C ZINC000336329742 287067071 /nfs/dbraw/zinc/06/70/71/287067071.db2.gz KFBYMBMOIPHSIO-WBMJQRKESA-N 0 3 285.391 2.392 20 30 CEEDHN N#Cc1ccc(F)cc1CN1CCCN(C2CC2)CC1 ZINC000177323736 165197310 /nfs/dbraw/zinc/19/73/10/165197310.db2.gz KERAVNUIPJFNJC-UHFFFAOYSA-N 0 3 273.355 2.367 20 30 CEEDHN C=C(C)[C@H](NC[C@H]1CNC(=O)C1)c1ccc(F)c(F)c1 ZINC000660311623 414765884 /nfs/dbraw/zinc/76/58/84/414765884.db2.gz INRIBKMKQBNRCL-BMIGLBTASA-N 0 3 280.318 2.308 20 30 CEEDHN C=CCCn1cc(CNC[C@@H](C)N2CCC(C)CC2)nn1 ZINC000657335954 414867966 /nfs/dbraw/zinc/86/79/66/414867966.db2.gz VIDJOFMXNNCDFQ-OAHLLOKOSA-N 0 3 291.443 2.064 20 30 CEEDHN C=CCCn1cc(CNCc2cccc(CN(C)C)c2)nn1 ZINC000657300164 414842277 /nfs/dbraw/zinc/84/22/77/414842277.db2.gz JXOJXPAOGRUXSS-UHFFFAOYSA-N 0 3 299.422 2.206 20 30 CEEDHN C=CCCNC(=O)NCCN1CCCC[C@@H]1CC ZINC000660660528 414919284 /nfs/dbraw/zinc/91/92/84/414919284.db2.gz WPFNLQWDEUNXPV-ZDUSSCGKSA-N 0 3 253.390 2.126 20 30 CEEDHN C=CC[C@@H](CO)NCc1cccc(F)c1OC(F)F ZINC000657436954 414935536 /nfs/dbraw/zinc/93/55/36/414935536.db2.gz XAYKHELXWHSTPG-JTQLQIEISA-N 0 3 275.270 2.454 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654314196 414900461 /nfs/dbraw/zinc/90/04/61/414900461.db2.gz HGSYLGMGRXUXSL-OLZOCXBDSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCCCCCNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000654665752 414999669 /nfs/dbraw/zinc/99/96/69/414999669.db2.gz IQWZHJMQYGZKRJ-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000660847242 415006333 /nfs/dbraw/zinc/00/63/33/415006333.db2.gz OHMLXAWEKVWWHT-HUUCEWRRSA-N 0 3 279.428 2.326 20 30 CEEDHN C=CCCn1cc(CNCCC2(COC)CCC2)nn1 ZINC000657474683 414958199 /nfs/dbraw/zinc/95/81/99/414958199.db2.gz CCECFYXVSRXRJT-UHFFFAOYSA-N 0 3 278.400 2.151 20 30 CEEDHN C=CCOCCCNCc1ccnn1CC(C)C ZINC000657658866 415041332 /nfs/dbraw/zinc/04/13/32/415041332.db2.gz HQHARGVJYSOCHT-UHFFFAOYSA-N 0 3 251.374 2.221 20 30 CEEDHN OC[C@@H](NCC#Cc1cccc(Cl)c1)C1CCC1 ZINC000661151127 415113809 /nfs/dbraw/zinc/11/38/09/415113809.db2.gz CGGNQAVIVPQWLF-OAHLLOKOSA-N 0 3 263.768 2.442 20 30 CEEDHN C=C(CC)CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661293657 415184925 /nfs/dbraw/zinc/18/49/25/415184925.db2.gz ZBZCYYMXAHFVJI-GFCCVEGCSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CC[C@@H]1CCCN(Cc2cc(=O)n3ccccc3n2)C1 ZINC000661379442 415231247 /nfs/dbraw/zinc/23/12/47/415231247.db2.gz BVEKZGRWQYVWCV-CQSZACIVSA-N 0 3 283.375 2.483 20 30 CEEDHN C=CCCCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659043288 415397062 /nfs/dbraw/zinc/39/70/62/415397062.db2.gz NYPWUSLZQJKMMD-HNNXBMFYSA-N 0 3 289.379 2.435 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000664589378 415413523 /nfs/dbraw/zinc/41/35/23/415413523.db2.gz HWWWPCOPNYBYAY-UONOGXRCSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCN(C[C@H]1CCCS(=O)(=O)C1)C(C)(C)C ZINC000661760496 415448627 /nfs/dbraw/zinc/44/86/27/415448627.db2.gz WFQCIPIAWLHRNP-GFCCVEGCSA-N 0 3 259.415 2.098 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(CCC)C1 ZINC000661950366 415534396 /nfs/dbraw/zinc/53/43/96/415534396.db2.gz YCXHRPINFMGJBY-SOUVJXGZSA-N 0 3 277.412 2.363 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000665191334 415617971 /nfs/dbraw/zinc/61/79/71/415617971.db2.gz LOKUQDLDBMMDKY-DOTOQJQBSA-N 0 3 274.408 2.130 20 30 CEEDHN Fc1ccc(C#CCN2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000662035012 415584300 /nfs/dbraw/zinc/58/43/00/415584300.db2.gz QIIUBNYXLMOKNG-GJZGRUSLSA-N 0 3 259.324 2.146 20 30 CEEDHN C=C[C@H](C)NC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000656110626 415594818 /nfs/dbraw/zinc/59/48/18/415594818.db2.gz JRRDRLFOHHJFKD-LBPRGKRZSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCCN(C)CC1 ZINC000665398087 415726054 /nfs/dbraw/zinc/72/60/54/415726054.db2.gz YKWQGRFYGVJHTD-CABCVRRESA-N 0 3 279.428 2.468 20 30 CEEDHN C=CCN(C(=O)NC[C@@H]1CCN1C(C)(C)C)[C@@H](C)COC ZINC000665354808 415703806 /nfs/dbraw/zinc/70/38/06/415703806.db2.gz AXQBFVYOWVIADY-KBPBESRZSA-N 0 3 297.443 2.092 20 30 CEEDHN C=CCNC(=O)CN1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000076392097 177014284 /nfs/dbraw/zinc/01/42/84/177014284.db2.gz JUFUOINWTSDTCG-HIFRSBDPSA-N 0 3 288.391 2.175 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1CC(=O)c1ccco1 ZINC000344342081 225036775 /nfs/dbraw/zinc/03/67/75/225036775.db2.gz WHAUHNRIKILCSF-GHMZBOCLSA-N 0 3 260.293 2.003 20 30 CEEDHN CC(C#N)C(=O)NC1(c2cccc(F)c2)CCOCC1 ZINC000334708416 225281882 /nfs/dbraw/zinc/28/18/82/225281882.db2.gz OZLXCYCFCNNXKR-NSHDSACASA-N 0 3 276.311 2.107 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](C)CC1 ZINC000335004095 225392392 /nfs/dbraw/zinc/39/23/92/225392392.db2.gz SFPNFORGORWHNN-QWHCGFSZSA-N 0 3 263.385 2.059 20 30 CEEDHN O=C(CN1CCC[C@@H]1C1CCOCC1)NC[C@H]1CCCO1 ZINC000329255510 227386921 /nfs/dbraw/zinc/38/69/21/227386921.db2.gz AOQYASJUJLDIGI-HUUCEWRRSA-N 0 3 296.411 2.013 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000347124452 226033902 /nfs/dbraw/zinc/03/39/02/226033902.db2.gz OSBGPMKXOADPQP-SOCHQFKDSA-N 0 3 250.248 2.097 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000347128514 226037652 /nfs/dbraw/zinc/03/76/52/226037652.db2.gz GCEPTSOMPIFJJK-XBFCOCLRSA-N 0 3 258.321 2.183 20 30 CEEDHN COc1ccc(C(C)(C)CNC(=O)C(C)C#N)cc1OC ZINC000347133696 226038972 /nfs/dbraw/zinc/03/89/72/226038972.db2.gz LAIFKPHEVHAYKW-NSHDSACASA-N 0 3 290.363 2.257 20 30 CEEDHN CC(C#N)C(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000336500353 227074554 /nfs/dbraw/zinc/07/45/54/227074554.db2.gz UKQGJSAVPMNLFN-NSHDSACASA-N 0 3 276.311 2.355 20 30 CEEDHN C[C@H]1COCCN1CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000192703069 227265746 /nfs/dbraw/zinc/26/57/46/227265746.db2.gz FUBWTOXNYPJMDK-HNNXBMFYSA-N 0 3 299.418 2.243 20 30 CEEDHN C[C@@H]1CCC[C@H](N[C@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1C ZINC000115595452 287491620 /nfs/dbraw/zinc/49/16/20/287491620.db2.gz ABPILIDDKVQEFT-MPTQWLOMSA-N 0 3 285.391 2.499 20 30 CEEDHN N#CCc1ccc(CN2CCS[C@H]3COCC[C@H]32)cc1 ZINC000335990752 228175399 /nfs/dbraw/zinc/17/53/99/228175399.db2.gz SUQGGLMRUMUHKR-CVEARBPZSA-N 0 3 288.416 2.459 20 30 CEEDHN COc1ccccc1[C@H]1CCN(C(=O)C(C)C#N)C1 ZINC000336002437 228177425 /nfs/dbraw/zinc/17/74/25/228177425.db2.gz WXTVGLGSCJFGGL-RYUDHWBXSA-N 0 3 258.321 2.171 20 30 CEEDHN C=CCN(CC=C)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000666761005 419419582 /nfs/dbraw/zinc/41/95/82/419419582.db2.gz KLLZMFUAHAQKAQ-OAHLLOKOSA-N 0 3 279.428 2.490 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccn(CC)n2)CC1 ZINC000667698167 419773789 /nfs/dbraw/zinc/77/37/89/419773789.db2.gz ZXDMALGFKVOKOW-UHFFFAOYSA-N 0 3 291.399 2.065 20 30 CEEDHN C=CCNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000297466667 260127527 /nfs/dbraw/zinc/12/75/27/260127527.db2.gz YBEDXMOHOZFIRC-CQSZACIVSA-N 0 3 293.436 2.496 20 30 CEEDHN CC#CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000297609502 260130258 /nfs/dbraw/zinc/13/02/58/260130258.db2.gz FGQQXQALJLINHY-DOTOQJQBSA-N 0 3 299.418 2.314 20 30 CEEDHN C=CCOc1cccc(NC(=O)NC[C@H]2CCCN2C)c1 ZINC000299233510 260175556 /nfs/dbraw/zinc/17/55/56/260175556.db2.gz FWJGGEAEMJRKFF-CQSZACIVSA-N 0 3 289.379 2.467 20 30 CEEDHN C[C@@H](C(=O)NCC#Cc1ccccc1)N1[C@H](C)CC[C@@H]1C ZINC000299598870 260189429 /nfs/dbraw/zinc/18/94/29/260189429.db2.gz DXZJJHAWMMQJRB-XHSDSOJGSA-N 0 3 284.403 2.416 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000490590914 261164465 /nfs/dbraw/zinc/16/44/65/261164465.db2.gz ZFEOAYAQMXISNC-HUUCEWRRSA-N 0 3 276.424 2.274 20 30 CEEDHN O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2CC#Cc1cccc(Cl)c1 ZINC000249401904 261252373 /nfs/dbraw/zinc/25/23/73/261252373.db2.gz CFNXCJJHHAAMAA-XSIBGMEISA-N 0 3 287.790 2.393 20 30 CEEDHN O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2CC#Cc1ccc(Cl)cc1 ZINC000249616058 261257305 /nfs/dbraw/zinc/25/73/05/261257305.db2.gz SULBJMGEUHWRPN-XSIBGMEISA-N 0 3 287.790 2.393 20 30 CEEDHN C=CCN(CC=C)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000249767650 261257966 /nfs/dbraw/zinc/25/79/66/261257966.db2.gz JISAJWGPJGEFPZ-GJZGRUSLSA-N 0 3 279.428 2.490 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249872056 261258742 /nfs/dbraw/zinc/25/87/42/261258742.db2.gz GHDSMCXXGFSOGH-UXLLHSPISA-N 0 3 271.360 2.356 20 30 CEEDHN C#C[C@H](CC)NCc1ccc(OCCOC)c(OC)c1 ZINC000491231530 261381732 /nfs/dbraw/zinc/38/17/32/261381732.db2.gz UIWRQWYRBCZIGU-CQSZACIVSA-N 0 3 277.364 2.222 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000106341332 261835063 /nfs/dbraw/zinc/83/50/63/261835063.db2.gz HSOOIOLSKGPOSX-CQSZACIVSA-N 0 3 279.428 2.468 20 30 CEEDHN C[C@H](NCC1(C)OCCCO1)c1ccc(OCC#N)cc1 ZINC000190654010 262184656 /nfs/dbraw/zinc/18/46/56/262184656.db2.gz HEUWERSKGSCASB-ZDUSSCGKSA-N 0 3 290.363 2.393 20 30 CEEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@H](n3cncn3)C2)cc1 ZINC000364514176 262253423 /nfs/dbraw/zinc/25/34/23/262253423.db2.gz WZECZNPPDYYKBI-ZFWWWQNUSA-N 0 3 297.362 2.016 20 30 CEEDHN CC1(C#N)CCN(CCC(=O)N2CCCCC2)CC1 ZINC000334218287 262261441 /nfs/dbraw/zinc/26/14/41/262261441.db2.gz DSDASDFTMCTTCT-UHFFFAOYSA-N 0 3 263.385 2.015 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000160830565 262301448 /nfs/dbraw/zinc/30/14/48/262301448.db2.gz PJCCBTSPMHCMIS-UONOGXRCSA-N 0 3 298.390 2.214 20 30 CEEDHN C=CCCC(=O)N1CC[C@@H](N)c2cc(OC)ccc21 ZINC000365217628 262352174 /nfs/dbraw/zinc/35/21/74/262352174.db2.gz FWOUHPIUBMXLAQ-CYBMUJFWSA-N 0 3 260.337 2.398 20 30 CEEDHN CC[C@H](NCCOCCC#N)c1c(C)nn(C)c1C ZINC000339085654 262592736 /nfs/dbraw/zinc/59/27/36/262592736.db2.gz SLLUIZPAFBRBJT-ZDUSSCGKSA-N 0 3 264.373 2.008 20 30 CEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N(C)CCN(C)C ZINC000272672592 263008140 /nfs/dbraw/zinc/00/81/40/263008140.db2.gz LHBQHBOFJONKOE-GFCCVEGCSA-N 0 3 290.367 2.003 20 30 CEEDHN Cc1occc1C(=O)NC1CCN([C@@H](C)CCC#N)CC1 ZINC000276296309 263035686 /nfs/dbraw/zinc/03/56/86/263035686.db2.gz IWSXDAMQXLYAPR-LBPRGKRZSA-N 0 3 289.379 2.475 20 30 CEEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279639449 263056472 /nfs/dbraw/zinc/05/64/72/263056472.db2.gz WNVNFDNVAYJXLH-IUODEOHRSA-N 0 3 267.332 2.109 20 30 CEEDHN CCOC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280148307 263059514 /nfs/dbraw/zinc/05/95/14/263059514.db2.gz WGBBHAQLFPGNEH-OAHLLOKOSA-N 0 3 299.374 2.172 20 30 CEEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CCSC1 ZINC000281518943 263069722 /nfs/dbraw/zinc/06/97/22/263069722.db2.gz JBQWXXTVELMYRS-GJZGRUSLSA-N 0 3 299.399 2.204 20 30 CEEDHN CC[C@H](CC#N)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290561846 263117520 /nfs/dbraw/zinc/11/75/20/263117520.db2.gz SKNBECVVFCXVQN-MCIONIFRSA-N 0 3 286.331 2.099 20 30 CEEDHN N#C[C@H]1CC[C@@H](N2CCC(Nc3cccnn3)CC2)C1 ZINC000292976826 263136908 /nfs/dbraw/zinc/13/69/08/263136908.db2.gz DYXBAJBMAROKEI-GXTWGEPZSA-N 0 3 271.368 2.045 20 30 CEEDHN N#CCCOCCN1CCC([C@H](O)c2ccccc2)CC1 ZINC000293648969 263145805 /nfs/dbraw/zinc/14/58/05/263145805.db2.gz XXRQLHZZXHFQKW-QGZVFWFLSA-N 0 3 288.391 2.362 20 30 CEEDHN C=CCN(CCC#N)C(=O)[C@H](CC)N(CC)CC ZINC000293675978 263146604 /nfs/dbraw/zinc/14/66/04/263146604.db2.gz GUADQTZSDRZDRW-ZDUSSCGKSA-N 0 3 251.374 2.035 20 30 CEEDHN Cn1nccc1C1=CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000293694153 263146995 /nfs/dbraw/zinc/14/69/95/263146995.db2.gz WNECTUOOVIWCOY-GXTWGEPZSA-N 0 3 256.353 2.201 20 30 CEEDHN C=CCN(CCC#N)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000293746865 263148767 /nfs/dbraw/zinc/14/87/67/263148767.db2.gz LWMJMQLNHBFOIY-HZSPNIEDSA-N 0 3 263.385 2.176 20 30 CEEDHN C=C[C@H](CO)N[C@H]1CCCc2nc(Cl)ccc21 ZINC000297367284 263203913 /nfs/dbraw/zinc/20/39/13/263203913.db2.gz QGGTZCFFQYALLV-KOLCDFICSA-N 0 3 252.745 2.249 20 30 CEEDHN C=CCOc1ccc(C(=O)N2CCC[C@@H]2CN(C)C)cc1 ZINC000340577432 263207503 /nfs/dbraw/zinc/20/75/03/263207503.db2.gz BSIJTUQWDGIJOK-OAHLLOKOSA-N 0 3 288.391 2.418 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@](CO)(c2ccccc2)C1 ZINC000298065363 263214787 /nfs/dbraw/zinc/21/47/87/263214787.db2.gz GRSVVMXANHDXLR-ZBFHGGJFSA-N 0 3 258.365 2.315 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H]1CNCCC1(F)F ZINC000415006459 263216854 /nfs/dbraw/zinc/21/68/54/263216854.db2.gz SVMXCVXDUJUNHJ-CQSZACIVSA-N 0 3 282.334 2.338 20 30 CEEDHN C[C@H](CC#N)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000299460876 263243014 /nfs/dbraw/zinc/24/30/14/263243014.db2.gz ZARWMKACIRJRHW-CQSZACIVSA-N 0 3 285.391 2.317 20 30 CEEDHN CN(CCC#N)C(=O)c1cccc(CN2CCCC2)c1 ZINC000299540185 263246151 /nfs/dbraw/zinc/24/61/51/263246151.db2.gz UCJOXYFSXGXXIK-UHFFFAOYSA-N 0 3 271.364 2.268 20 30 CEEDHN CCCCN(C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000340759246 263304917 /nfs/dbraw/zinc/30/49/17/263304917.db2.gz YAWKQLRZKWLZBC-GXTWGEPZSA-N 0 3 253.390 2.161 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](NCc1ccccc1)c1ccco1 ZINC000341124343 263323136 /nfs/dbraw/zinc/32/31/36/263323136.db2.gz VMSMXRXAFQMVKS-UKRRQHHQSA-N 0 3 297.358 2.386 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000341433574 263337808 /nfs/dbraw/zinc/33/78/08/263337808.db2.gz JVHBAGZBNUDMSI-MELADBBJSA-N 0 3 265.401 2.077 20 30 CEEDHN CCN1CCN(C(=O)C(C#N)CCc2ccccc2)[C@@H](C)C1 ZINC000341796026 263349435 /nfs/dbraw/zinc/34/94/35/263349435.db2.gz HIZLKQHRYONAES-DOTOQJQBSA-N 0 3 299.418 2.312 20 30 CEEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000341890226 263363747 /nfs/dbraw/zinc/36/37/47/263363747.db2.gz TURKYVZGXAKGTO-NWDGAFQWSA-N 0 3 264.325 2.430 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1ncoc1C ZINC000330681035 264002507 /nfs/dbraw/zinc/00/25/07/264002507.db2.gz ZISIOMJRFICZPA-NSHDSACASA-N 0 3 251.330 2.162 20 30 CEEDHN CCc1ocnc1C(=O)NCCN1CCCC[C@H]1C ZINC000330819877 264046992 /nfs/dbraw/zinc/04/69/92/264046992.db2.gz CYMUFKFMQYPMAR-LLVKDONJSA-N 0 3 265.357 2.416 20 30 CEEDHN CC(C)c1occc1C(=O)NCC1CCN(CCO)CC1 ZINC000331112194 264127107 /nfs/dbraw/zinc/12/71/07/264127107.db2.gz UBGHZFFEQWHUMN-UHFFFAOYSA-N 0 3 294.395 2.412 20 30 CEEDHN CC[C@H](C)n1ncc(C(=O)NC[C@@H]2CCN(C)C2)c1C ZINC000331091442 264133702 /nfs/dbraw/zinc/13/37/02/264133702.db2.gz WONGCKJLFMFCIZ-AAEUAGOBSA-N 0 3 278.400 2.419 20 30 CEEDHN CCN1CCC(NC(=O)NC[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC000331188767 264157429 /nfs/dbraw/zinc/15/74/29/264157429.db2.gz KHGWZXIFXDZJTF-UKRRQHHQSA-N 0 3 297.443 2.035 20 30 CEEDHN Cc1ccc(F)cc1C(=O)NC[C@H]1CCCCN1CCO ZINC000331341255 264194922 /nfs/dbraw/zinc/19/49/22/264194922.db2.gz SNBIUYBOZDCISX-CQSZACIVSA-N 0 3 294.370 2.286 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)NCc1nccs1 ZINC000331341234 264195455 /nfs/dbraw/zinc/19/54/55/264195455.db2.gz XTIHYMYZCSTEHZ-NSHDSACASA-N 0 3 296.440 2.267 20 30 CEEDHN Cc1cc(C)c(NC(=O)NC[C@H](C)N(C)C)c(C)n1 ZINC000331347822 264205992 /nfs/dbraw/zinc/20/59/92/264205992.db2.gz WUIXJCJZTQXNEW-NSHDSACASA-N 0 3 264.373 2.283 20 30 CEEDHN C[C@@H]1[C@@H](O)CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000331356029 264208376 /nfs/dbraw/zinc/20/83/76/264208376.db2.gz RKDGNGPSSCBINL-KBMXLJTQSA-N 0 3 286.375 2.131 20 30 CEEDHN CN(C)Cc1cccc(C(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000334074182 264229668 /nfs/dbraw/zinc/22/96/68/264229668.db2.gz JTYKQIKLUYMCNQ-CABCVRRESA-N 0 3 271.364 2.170 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000426007014 264304103 /nfs/dbraw/zinc/30/41/03/264304103.db2.gz YZSFDKPEJOYOSJ-GZBFAFLISA-N 0 3 277.412 2.219 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425443957 264324385 /nfs/dbraw/zinc/32/43/85/264324385.db2.gz BCQKUZCJOHECOG-RRFJBIMHSA-N 0 3 292.427 2.242 20 30 CEEDHN C[C@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)N1CCC(C)CC1 ZINC000425486474 264354051 /nfs/dbraw/zinc/35/40/51/264354051.db2.gz XRQAFLBPNUDJFK-QLFBSQMISA-N 0 3 292.427 2.098 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(C(=O)OC)co1 ZINC000280590967 264455321 /nfs/dbraw/zinc/45/53/21/264455321.db2.gz BIOBRMDANMGRMS-BXUZGUMPSA-N 0 3 279.336 2.137 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000280648901 264457190 /nfs/dbraw/zinc/45/71/90/264457190.db2.gz NZQFORZNYDZFEP-BZNIZROVSA-N 0 3 291.347 2.192 20 30 CEEDHN C=CCN1CC[C@H](N[C@@H](C)c2ccc(C)cc2)C1=O ZINC000281230997 264478633 /nfs/dbraw/zinc/47/86/33/264478633.db2.gz OYZFJEVXXJLILC-ZFWWWQNUSA-N 0 3 258.365 2.433 20 30 CEEDHN CC#CC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000283150607 264512098 /nfs/dbraw/zinc/51/20/98/264512098.db2.gz JRUYNLJZFZKRDC-UHFFFAOYSA-N 0 3 278.783 2.254 20 30 CEEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OC)c(COC)c1 ZINC000289857716 264744318 /nfs/dbraw/zinc/74/43/18/264744318.db2.gz QUMFJNGUPZIXIL-SMDDNHRTSA-N 0 3 265.353 2.039 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000290463855 264767941 /nfs/dbraw/zinc/76/79/41/264767941.db2.gz YLOSCHDKWNBEJM-HNNXBMFYSA-N 0 3 268.376 2.400 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000294061988 265006069 /nfs/dbraw/zinc/00/60/69/265006069.db2.gz VEFVIOCMUWDNGO-CVEARBPZSA-N 0 3 288.366 2.001 20 30 CEEDHN CCC[C@@H]1[C@@H](C)CCCN1CC(=O)NC1(C#N)CCC1 ZINC000346979981 265122150 /nfs/dbraw/zinc/12/21/50/265122150.db2.gz LAFMBIMPVPITGH-UONOGXRCSA-N 0 3 277.412 2.449 20 30 CEEDHN N#CC1(NC(=O)CN[C@@H](c2cccs2)C2CC2)CCC1 ZINC000525893782 266003096 /nfs/dbraw/zinc/00/30/96/266003096.db2.gz TUMSZJPGXVURKP-CQSZACIVSA-N 0 3 289.404 2.351 20 30 CEEDHN C[C@H](C#N)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000357921300 266386127 /nfs/dbraw/zinc/38/61/27/266386127.db2.gz YISZFKYUPFBQIJ-LLVKDONJSA-N 0 3 295.333 2.015 20 30 CEEDHN COc1ccc([C@H](OC)[C@H](C)NC(=O)C(C)C#N)cc1 ZINC000357982655 266393953 /nfs/dbraw/zinc/39/39/53/266393953.db2.gz RNBORFKHQPLXCS-COPLHBTASA-N 0 3 276.336 2.047 20 30 CEEDHN COc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)nc1 ZINC000361961448 266912614 /nfs/dbraw/zinc/91/26/14/266912614.db2.gz IVYDTTFFXMUPJL-LLVKDONJSA-N 0 3 292.298 2.457 20 30 CEEDHN N#CCNC(=O)CN1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000362583658 267010016 /nfs/dbraw/zinc/01/00/16/267010016.db2.gz MFRLELCCOXLHKJ-ZACQAIPSSA-N 0 3 297.402 2.284 20 30 CEEDHN CCN(C)C(=O)[C@@H](NCc1cc(C#N)cs1)C(C)C ZINC000449442262 267050020 /nfs/dbraw/zinc/05/00/20/267050020.db2.gz XJZYLCBPJHNQRC-ZDUSSCGKSA-N 0 3 279.409 2.212 20 30 CEEDHN N#CCSCCCN1CCC[C@H](N2CCCCC2=O)C1 ZINC000363305945 267086869 /nfs/dbraw/zinc/08/68/69/267086869.db2.gz VEAOXRXPYSBIOX-AWEZNQCLSA-N 0 3 295.452 2.110 20 30 CEEDHN C=C(C)CN(C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000367940831 267129229 /nfs/dbraw/zinc/12/92/29/267129229.db2.gz HFUYTPALNMMRPO-UHFFFAOYSA-N 0 3 280.412 2.056 20 30 CEEDHN C=CCNC(=O)CNC1CC(c2cc(F)cc(F)c2)C1 ZINC000368028536 267138212 /nfs/dbraw/zinc/13/82/12/267138212.db2.gz DGCHUFNXHXZVEJ-UHFFFAOYSA-N 0 3 280.318 2.103 20 30 CEEDHN C=CCCC(=O)N(C)C1CCN(c2ccncc2)CC1 ZINC000368934226 267213899 /nfs/dbraw/zinc/21/38/99/267213899.db2.gz XPXDURUNYKKWES-UHFFFAOYSA-N 0 3 273.380 2.475 20 30 CEEDHN C#CCCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000369285805 267232421 /nfs/dbraw/zinc/23/24/21/267232421.db2.gz RKICSBAHKODCBD-QGZVFWFLSA-N 0 3 299.418 2.221 20 30 CEEDHN CC(C)(C#N)CCCCN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000369723176 267260990 /nfs/dbraw/zinc/26/09/90/267260990.db2.gz VQIZRRRRMDJGEC-OLZOCXBDSA-N 0 3 279.384 2.137 20 30 CEEDHN CC1(C)CN(CCCCC#N)C[C@]2(CCCOC2)O1 ZINC000370041130 267286318 /nfs/dbraw/zinc/28/63/18/267286318.db2.gz OSPNGFHZRQCAQT-HNNXBMFYSA-N 0 3 266.385 2.340 20 30 CEEDHN CN(C)c1ccncc1CNCc1ccc(C#N)c(F)c1 ZINC000449736951 267293763 /nfs/dbraw/zinc/29/37/63/267293763.db2.gz PIICNXHIXSPYEQ-UHFFFAOYSA-N 0 3 284.338 2.448 20 30 CEEDHN C#CCCN1CCC(O)(c2cc(OC)cc(OC)c2)CC1 ZINC000371186725 267362498 /nfs/dbraw/zinc/36/24/98/267362498.db2.gz YZLXHPXXUNCEFF-UHFFFAOYSA-N 0 3 289.375 2.011 20 30 CEEDHN COC(=O)[C@H]1CCN(Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000488978058 267384471 /nfs/dbraw/zinc/38/44/71/267384471.db2.gz KACCMKMXZBWJRE-BBRMVZONSA-N 0 3 286.375 2.498 20 30 CEEDHN C#CCCN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000376794762 268018565 /nfs/dbraw/zinc/01/85/65/268018565.db2.gz RNOIEKNUSZUCKP-CQSZACIVSA-N 0 3 272.396 2.207 20 30 CEEDHN C#CCCCCC(=O)N1CCCN(CC(C)C)CC1 ZINC000376804720 268019474 /nfs/dbraw/zinc/01/94/74/268019474.db2.gz QDHSBPUKHPSZID-UHFFFAOYSA-N 0 3 264.413 2.370 20 30 CEEDHN C=CCCC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000377244684 268059121 /nfs/dbraw/zinc/05/91/21/268059121.db2.gz MCWMEIPSKNWOTP-RDJZCZTQSA-N 0 3 287.407 2.499 20 30 CEEDHN CC1CC(N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000190602350 270269051 /nfs/dbraw/zinc/26/90/51/270269051.db2.gz RZRMTPLKCRNIRE-VDSRIPIWSA-N 0 3 283.375 2.047 20 30 CEEDHN C[C@H]1CN(CCN(Cc2ccc(C#N)cc2)C2CC2)CCO1 ZINC000192727257 270279471 /nfs/dbraw/zinc/27/94/71/270279471.db2.gz OGYNGCDUESLIKR-HNNXBMFYSA-N 0 3 299.418 2.243 20 30 CEEDHN C[C@@H]1[C@H](C)CN(CC(=O)NCc2ccc(C#N)cc2)[C@H]1C ZINC000419373134 270442857 /nfs/dbraw/zinc/44/28/57/270442857.db2.gz NORLWWVYCBNOEN-MCIONIFRSA-N 0 3 285.391 2.151 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2C[C@H]3OCCC[C@@H]23)c(F)c1 ZINC000427700230 271238513 /nfs/dbraw/zinc/23/85/13/271238513.db2.gz YZKOGSBXXUOUMK-NWANDNLSSA-N 0 3 260.312 2.354 20 30 CEEDHN CC(C)(C#N)CCN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352674516 277120856 /nfs/dbraw/zinc/12/08/56/277120856.db2.gz BSTMSOYYKMZPTK-GHMZBOCLSA-N 0 3 278.318 2.419 20 30 CEEDHN CN1CC[C@@H]2[C@@H](CCCN2c2ncc(C#N)cc2F)C1 ZINC000413192366 277156562 /nfs/dbraw/zinc/15/65/62/277156562.db2.gz IOZWBILIBWHMGY-GXTWGEPZSA-N 0 3 274.343 2.013 20 30 CEEDHN CSC[C@@H](CCO)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353258222 277512836 /nfs/dbraw/zinc/51/28/36/277512836.db2.gz QQUGHUPTARTTRP-HIFRSBDPSA-N 0 3 276.405 2.249 20 30 CEEDHN C[C@@H](CN(C)Cc1ccccc1)Nc1nccnc1C#N ZINC000271790633 278242552 /nfs/dbraw/zinc/24/25/52/278242552.db2.gz IYADTLJFOOGYAU-ZDUSSCGKSA-N 0 3 281.363 2.281 20 30 CEEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(NC(N)=O)cc1 ZINC000189587337 278356761 /nfs/dbraw/zinc/35/67/61/278356761.db2.gz FFIXPZUYSOKZJY-LLVKDONJSA-N 0 3 297.362 2.238 20 30 CEEDHN C[C@H]1CN(C(=O)C2(C#N)CCCC2)CCN(C2CCC2)C1 ZINC000334752955 278395322 /nfs/dbraw/zinc/39/53/22/278395322.db2.gz ITDXZDLKIOPPMQ-CQSZACIVSA-N 0 3 289.423 2.403 20 30 CEEDHN CC[C@H](N[C@H](C)C[S@@](C)=O)c1ccc(C#N)cc1 ZINC000278642026 288078363 /nfs/dbraw/zinc/07/83/63/288078363.db2.gz HPXHBAVKKUBCJH-CDNVCLAFSA-N 0 3 264.394 2.366 20 30 CEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(C#N)cc1 ZINC000287225066 280101033 /nfs/dbraw/zinc/10/10/33/280101033.db2.gz QKUGDJWVJPFYTF-BBRMVZONSA-N 0 3 283.375 2.257 20 30 CEEDHN Cc1ccnc(N2C[C@H](N3CCCC3)C[C@@H]2C)c1C#N ZINC000286525812 281465506 /nfs/dbraw/zinc/46/55/06/281465506.db2.gz ZZSLGUHLHCQBLX-UONOGXRCSA-N 0 3 270.380 2.325 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)C[C@H]1CCOC1 ZINC000154596199 289150547 /nfs/dbraw/zinc/15/05/47/289150547.db2.gz NJWVBQQBWGDLHA-CYBMUJFWSA-N 0 3 260.337 2.035 20 30 CEEDHN Cc1ccc(OC[C@@H](O)CNCc2cccc(C#N)c2)cc1 ZINC000314547331 289283605 /nfs/dbraw/zinc/28/36/05/289283605.db2.gz DMZNSIHNINHQRD-KRWDZBQOSA-N 0 3 296.370 2.396 20 30 CEEDHN COCC1(NCc2ccc(C#N)c(C)c2)CCOCC1 ZINC000552074108 298470562 /nfs/dbraw/zinc/47/05/62/298470562.db2.gz AZZYHKJGNHZUMK-UHFFFAOYSA-N 0 3 274.364 2.152 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCC(=O)NCC1CC1 ZINC000558794565 298605199 /nfs/dbraw/zinc/60/51/99/298605199.db2.gz FEEBUYGAOPGNIT-KRWDZBQOSA-N 0 3 297.402 2.442 20 30 CEEDHN COC[C@H](C)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000189501921 327779681 /nfs/dbraw/zinc/77/96/81/327779681.db2.gz JIQPEGXZJZSKJX-WBVHZDCISA-N 0 3 287.407 2.151 20 30 CEEDHN CCc1nncn1CCN[C@H](C)c1cccc(C#N)c1 ZINC000545264922 313482585 /nfs/dbraw/zinc/48/25/85/313482585.db2.gz OXAHXEZCZFEZSZ-GFCCVEGCSA-N 0 3 269.352 2.063 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000565601998 313828984 /nfs/dbraw/zinc/82/89/84/313828984.db2.gz BKXRKSZQBAVXDY-AWEZNQCLSA-N 0 3 289.335 2.107 20 30 CEEDHN CC1(C)CN(c2nc3cc(Cl)ccn3c2C#N)CCN1 ZINC000576966787 314328864 /nfs/dbraw/zinc/32/88/64/314328864.db2.gz NZLUSBSIWVNQIC-UHFFFAOYSA-N 0 3 289.770 2.048 20 30 CEEDHN N#Cc1ccc(CNC[C@H](O)Cc2ccc(F)cc2)s1 ZINC000579228736 314562857 /nfs/dbraw/zinc/56/28/57/314562857.db2.gz ZQZLXGKSZCMZFT-CYBMUJFWSA-N 0 3 290.363 2.452 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CC[C@H]2CCCCO2)CC1 ZINC000110734297 327887558 /nfs/dbraw/zinc/88/75/58/327887558.db2.gz OYGMWBJAJMIZKR-MRXNPFEDSA-N 0 3 294.439 2.492 20 30 CEEDHN C=CCC[C@H](CO)NCc1cn2cc(Cl)ccc2n1 ZINC000320269540 327980995 /nfs/dbraw/zinc/98/09/95/327980995.db2.gz LPFQHCZQUJIFRT-GFCCVEGCSA-N 0 3 279.771 2.404 20 30 CEEDHN C=CCN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000377759121 329028348 /nfs/dbraw/zinc/02/83/48/329028348.db2.gz GTMCCVAHBJFMQT-CHWSQXEVSA-N 0 3 266.385 2.361 20 30 CEEDHN COC(=O)COc1c(C)cc(CNCCCC#N)cc1C ZINC000273042361 328203399 /nfs/dbraw/zinc/20/33/99/328203399.db2.gz ISRBSKNEYDSVDF-UHFFFAOYSA-N 0 3 290.363 2.249 20 30 CEEDHN COc1cc(Cl)cc(C[NH2+]CCCC#N)c1[O-] ZINC000273802517 328206606 /nfs/dbraw/zinc/20/66/06/328206606.db2.gz XIPHFJASXCWILS-UHFFFAOYSA-N 0 3 254.717 2.448 20 30 CEEDHN CC(C)N1C[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)CC1=O ZINC000580015950 321908011 /nfs/dbraw/zinc/90/80/11/321908011.db2.gz JOJMKQGYOYEDFK-GOEBONIOSA-N 0 3 283.375 2.144 20 30 CEEDHN CC1(C)[C@@H](O)C[C@@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000580343381 322312974 /nfs/dbraw/zinc/31/29/74/322312974.db2.gz NGPGBFDNWVVHRZ-STQMWFEESA-N 0 3 296.317 2.409 20 30 CEEDHN CSC[C@H](O)CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000582058355 322443276 /nfs/dbraw/zinc/44/32/76/322443276.db2.gz XUJYYFZDRCVHEY-HIFRSBDPSA-N 0 3 276.405 2.249 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N(C)CCC1CCCCC1 ZINC000101565757 328356821 /nfs/dbraw/zinc/35/68/21/328356821.db2.gz KBTPYWQOJBCPPD-CYBMUJFWSA-N 0 3 250.386 2.027 20 30 CEEDHN N#CCCCCN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305173916 328395874 /nfs/dbraw/zinc/39/58/74/328395874.db2.gz UURMJQDNHVDRKL-NSHDSACASA-N 0 3 264.291 2.315 20 30 CEEDHN N#CCCCOc1cccc(CNC[C@@H](O)C2CC2)c1 ZINC000341159175 328404171 /nfs/dbraw/zinc/40/41/71/328404171.db2.gz NOJDRWBEXXASLM-MRXNPFEDSA-N 0 3 274.364 2.230 20 30 CEEDHN C=CC[C@H](CO)CNCc1cnn(-c2ccccc2)c1 ZINC000341324440 328406326 /nfs/dbraw/zinc/40/63/26/328406326.db2.gz SABVYJGXGDWBQT-AWEZNQCLSA-N 0 3 271.364 2.147 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NC1CCN(C2CC2)CC1 ZINC000346792648 328573268 /nfs/dbraw/zinc/57/32/68/328573268.db2.gz JHGZXOSBOGRURS-LBPRGKRZSA-N 0 3 265.401 2.267 20 30 CEEDHN CC1CC(C#N)(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)C1 ZINC000557643180 327018648 /nfs/dbraw/zinc/01/86/48/327018648.db2.gz HKEHBCDJFRIUQX-MYMJJRTCSA-N 0 3 275.396 2.011 20 30 CEEDHN C[C@@]1(CNCc2nc(C#N)cs2)CCO[C@@H]1C1CC1 ZINC000562078627 327447447 /nfs/dbraw/zinc/44/74/47/327447447.db2.gz QCVATSONQIZZNU-KGLIPLIRSA-N 0 3 277.393 2.310 20 30 CEEDHN CN(C)CCc1ccccc1NC(=O)CCCC#N ZINC000360457884 328907136 /nfs/dbraw/zinc/90/71/36/328907136.db2.gz WURGEUBJDHMJCL-UHFFFAOYSA-N 0 3 259.353 2.423 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCCC[C@H](CCOC)C1 ZINC000375103009 329000480 /nfs/dbraw/zinc/00/04/80/329000480.db2.gz BEBKSMQVVYABBK-MRXNPFEDSA-N 0 3 294.439 2.326 20 30 CEEDHN C=C(CNC(=O)N1CC[C@H]2CCN(C)[C@H]2C1)c1ccccc1 ZINC000377005632 329009124 /nfs/dbraw/zinc/00/91/24/329009124.db2.gz MUIKQGGXLVTBAW-SJORKVTESA-N 0 3 299.418 2.435 20 30 CEEDHN CN1CC[C@@H](NC(=O)CC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000377574742 329019384 /nfs/dbraw/zinc/01/93/84/329019384.db2.gz XWSURKPTQALCRW-ZBFHGGJFSA-N 0 3 285.391 2.488 20 30 CEEDHN C=CCN(CC)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000377737237 329027498 /nfs/dbraw/zinc/02/74/98/329027498.db2.gz BKLHYIUFRSHNLP-CQSZACIVSA-N 0 3 256.365 2.233 20 30 CEEDHN CCCCCCCN1CCN([C@@H]2CCOC2)CC1 ZINC000378399458 329048918 /nfs/dbraw/zinc/04/89/18/329048918.db2.gz UGUQNJNSOGRHHD-OAHLLOKOSA-N 0 3 254.418 2.363 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(C)c(OC)c2)CC1 ZINC000171722842 329078469 /nfs/dbraw/zinc/07/84/69/329078469.db2.gz NKDXTZJZXIPSSJ-UHFFFAOYSA-N 0 3 288.391 2.384 20 30 CEEDHN C=CCN(CC[C@@H]1CCNC1=O)Cc1ccc(OC)cc1 ZINC000582525061 329106774 /nfs/dbraw/zinc/10/67/74/329106774.db2.gz XXPABKDNWGUSFQ-HNNXBMFYSA-N 0 3 288.391 2.209 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)nc2C)CC1 ZINC000176762044 329178846 /nfs/dbraw/zinc/17/88/46/329178846.db2.gz ZBZSFMGNFFRISP-UHFFFAOYSA-N 0 3 288.395 2.470 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2CCO[C@@H](CCC)C2)CC1 ZINC000183676779 329249520 /nfs/dbraw/zinc/24/95/20/329249520.db2.gz ZNPPEQMTDREPAU-HOCLYGCPSA-N 0 3 294.439 2.348 20 30 CEEDHN N#CCSCCCN1CCSC2(CCOCC2)C1 ZINC000186798773 329348966 /nfs/dbraw/zinc/34/89/66/329348966.db2.gz LKDZVZIGKSHNOO-UHFFFAOYSA-N 0 3 286.466 2.231 20 30 CEEDHN C[C@@H]1CN(CC(C)(C)O)CCN1CCCC(C)(C)C#N ZINC000189475327 329381389 /nfs/dbraw/zinc/38/13/89/329381389.db2.gz UYRXIWAQCXDGMR-CQSZACIVSA-N 0 3 281.444 2.093 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000245722384 329743745 /nfs/dbraw/zinc/74/37/45/329743745.db2.gz WKYDEPXISVLEIU-SYQHCUMBSA-N 0 3 265.401 2.256 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)COC)C(C)C ZINC000264087503 330061014 /nfs/dbraw/zinc/06/10/14/330061014.db2.gz FFNYFGQUCDGEPZ-HUUCEWRRSA-N 0 3 282.428 2.084 20 30 CEEDHN CC#CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000270738840 330076781 /nfs/dbraw/zinc/07/67/81/330076781.db2.gz UHPPLNFDKWDCKN-NVXWUHKLSA-N 0 3 299.418 2.220 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCC1(c2ccccc2)CCC1 ZINC000424059693 330218795 /nfs/dbraw/zinc/21/87/95/330218795.db2.gz BPODATZDZJJVAV-HNNXBMFYSA-N 0 3 285.391 2.246 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000424071162 330219966 /nfs/dbraw/zinc/21/99/66/330219966.db2.gz UJHYVCVEVYBNJI-HZPDHXFCSA-N 0 3 285.391 2.241 20 30 CEEDHN CCn1c2ccccc2nc1NC(=O)[C@@H](N)CCCC#N ZINC000424076156 330220711 /nfs/dbraw/zinc/22/07/11/330220711.db2.gz LIZWVBLABOXNTC-NSHDSACASA-N 0 3 285.351 2.016 20 30 CEEDHN CCCCCN(C(=O)[C@H](N)CCCC#N)C(C)C ZINC000424093451 330226240 /nfs/dbraw/zinc/22/62/40/330226240.db2.gz RZKVBNKOKCRVNI-CYBMUJFWSA-N 0 3 253.390 2.435 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000424100753 330233101 /nfs/dbraw/zinc/23/31/01/330233101.db2.gz LGVIGMYVCYJJOZ-ZIAGYGMSSA-N 0 3 263.385 2.189 20 30 CEEDHN CSc1ccc(CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424109404 330237141 /nfs/dbraw/zinc/23/71/41/330237141.db2.gz ZXZLELMOCCFTQM-CYBMUJFWSA-N 0 3 277.393 2.046 20 30 CEEDHN CC(C)(C)c1cnc(NC(=O)[C@H](N)CCCC#N)s1 ZINC000424111407 330239828 /nfs/dbraw/zinc/23/98/28/330239828.db2.gz GJYMBBYGPBDEGR-SECBINFHSA-N 0 3 280.397 2.400 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NC1CC(c2ccccc2)C1 ZINC000424113692 330242154 /nfs/dbraw/zinc/24/21/54/330242154.db2.gz ODEOJQDTFGZTKR-YMAMQOFZSA-N 0 3 271.364 2.070 20 30 CEEDHN CCS[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424117646 330243810 /nfs/dbraw/zinc/24/38/10/330243810.db2.gz BPEDBBDONLKGDG-YNEHKIRRSA-N 0 3 283.441 2.188 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000424119769 330246784 /nfs/dbraw/zinc/24/67/84/330246784.db2.gz DCWUUPLEKDQSDM-AWEZNQCLSA-N 0 3 285.347 2.165 20 30 CEEDHN CCS[C@@H]1CC[C@H](N(C)C(=O)[C@@H](N)CCCC#N)C1 ZINC000424120021 330248007 /nfs/dbraw/zinc/24/80/07/330248007.db2.gz GRGUEMOXSYVSDA-XQQFMLRXSA-N 0 3 283.441 2.140 20 30 CEEDHN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@H](N)CCCC#N ZINC000424121013 330251046 /nfs/dbraw/zinc/25/10/46/330251046.db2.gz HTJWHAPYYCFQLN-FVQBIDKESA-N 0 3 285.391 2.412 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccccc1)CC(F)F ZINC000424122136 330253813 /nfs/dbraw/zinc/25/38/13/330253813.db2.gz INJUJPHAGRGRTK-ZDUSSCGKSA-N 0 3 295.333 2.301 20 30 CEEDHN CC(C)C[C@@H]1CCCCN1C(=O)[C@H](N)CCCC#N ZINC000424130636 330261503 /nfs/dbraw/zinc/26/15/03/330261503.db2.gz UBWCAKNXAMUWSW-UONOGXRCSA-N 0 3 265.401 2.435 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CC2(CC2)c2ccccc21 ZINC000424131030 330262179 /nfs/dbraw/zinc/26/21/79/330262179.db2.gz ULGCTNRWDWAUAD-CYBMUJFWSA-N 0 3 269.348 2.086 20 30 CEEDHN CC1(C)Cc2cc(NC(=O)[C@H](N)CCCC#N)ccc2O1 ZINC000424132833 330265153 /nfs/dbraw/zinc/26/51/53/330265153.db2.gz YJKZREJQZAGWRT-CYBMUJFWSA-N 0 3 287.363 2.360 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2ncccc2c1 ZINC000424142519 330284721 /nfs/dbraw/zinc/28/47/21/330284721.db2.gz YJZNYUDJTYZFNA-CYBMUJFWSA-N 0 3 268.320 2.194 20 30 CEEDHN Cc1nc(C(C)(C)NC(=O)[C@@H](N)CCCC#N)sc1C ZINC000424149205 330295623 /nfs/dbraw/zinc/29/56/23/330295623.db2.gz VTWJSFYFXGKTNG-NSHDSACASA-N 0 3 294.424 2.132 20 30 CEEDHN CN1C(=O)c2ccccc2[C@@H]1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000528003453 330300355 /nfs/dbraw/zinc/30/03/55/330300355.db2.gz PBHGYYZVDRVBJT-JMSVASOKSA-N 0 3 269.348 2.095 20 30 CEEDHN CN1C(=O)c2ccccc2[C@@H]1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000528006659 330303341 /nfs/dbraw/zinc/30/33/41/330303341.db2.gz YASKQVSFUYKZML-ZENOOKHLSA-N 0 3 283.375 2.485 20 30 CEEDHN COc1cc(SC)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000424176894 330317367 /nfs/dbraw/zinc/31/73/67/330317367.db2.gz YXNYWUVUFUYWBI-NSHDSACASA-N 0 3 293.392 2.377 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(COC)o1 ZINC000424176926 330317386 /nfs/dbraw/zinc/31/73/86/330317386.db2.gz SFZPHFLKHOGZMU-FZMZJTMJSA-N 0 3 251.326 2.107 20 30 CEEDHN Cc1ccc(C)c(CN(C)C(=O)[C@@H](N)CCCC#N)c1 ZINC000424177897 330317757 /nfs/dbraw/zinc/31/77/57/330317757.db2.gz VHPSITLSEOANBO-HNNXBMFYSA-N 0 3 273.380 2.283 20 30 CEEDHN CC1(c2ccccc2)CC(NC(=O)[C@@H](N)CCCC#N)C1 ZINC000424190794 330323198 /nfs/dbraw/zinc/32/31/98/330323198.db2.gz OZTITTSLQRERJU-CKDBGZEDSA-N 0 3 285.391 2.244 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2ccncc2)CC1 ZINC000106037000 330331193 /nfs/dbraw/zinc/33/11/93/330331193.db2.gz YIZHRFWLCVZDKD-ONEGZZNKSA-N 0 3 285.391 2.252 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(C)cc(CN)c1 ZINC000424416376 330350760 /nfs/dbraw/zinc/35/07/60/330350760.db2.gz LPGQTEUPZPLKPA-CABCVRRESA-N 0 3 289.379 2.309 20 30 CEEDHN CC[C@H](CC#N)NC(=O)Nc1cc(C)cc(CN)c1 ZINC000424422155 330351587 /nfs/dbraw/zinc/35/15/87/330351587.db2.gz DMGGZYNOKPMXCW-GFCCVEGCSA-N 0 3 260.341 2.268 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000537022313 330385353 /nfs/dbraw/zinc/38/53/53/330385353.db2.gz HFLNJCGSXFDWRK-CHWSQXEVSA-N 0 3 291.391 2.293 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2CC[C@@H](C)C2)CC1 ZINC000435980723 330667073 /nfs/dbraw/zinc/66/70/73/330667073.db2.gz TZCOQTRNUJPCAZ-OCCSQVGLSA-N 0 3 265.401 2.125 20 30 CEEDHN N#CC1CCC(CNC(=O)NCCN2CCCCC2)CC1 ZINC000442443476 330775872 /nfs/dbraw/zinc/77/58/72/330775872.db2.gz ZICXSIFDKNLUEU-UHFFFAOYSA-N 0 3 292.427 2.101 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@H](CN2CCOCC2)c2ccccc2)C1 ZINC000442635868 330777774 /nfs/dbraw/zinc/77/77/74/330777774.db2.gz KLIDSUPPHPSFGJ-KBAYOESNSA-N 0 3 299.418 2.342 20 30 CEEDHN Cn1cc(CN[C@@H]2CC[C@H](C#N)C2)c(C(F)(F)F)n1 ZINC000442821578 330785468 /nfs/dbraw/zinc/78/54/68/330785468.db2.gz BPZKBUANZJPLGT-WCBMZHEXSA-N 0 3 272.274 2.221 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(COCCOC)cc1 ZINC000449518417 330933121 /nfs/dbraw/zinc/93/31/21/330933121.db2.gz JPBRYIHCWCZNAG-SJORKVTESA-N 0 3 291.391 2.283 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(-c2cc[nH]n2)o1 ZINC000449520373 330933269 /nfs/dbraw/zinc/93/32/69/330933269.db2.gz PCXOOIGAEUXUPL-YPMHNXCESA-N 0 3 259.309 2.103 20 30 CEEDHN C=CCOCCN1CC(C)(C)N(CCOCC=C)C[C@H]1C ZINC000451082747 331015255 /nfs/dbraw/zinc/01/52/55/331015255.db2.gz NBMMVWBEPGLWNW-MRXNPFEDSA-N 0 3 296.455 2.176 20 30 CEEDHN C=C(C)CCN1C[C@H](C(=O)OC)N(CCC(=C)C)C[C@H]1C ZINC000451711490 331039856 /nfs/dbraw/zinc/03/98/56/331039856.db2.gz DIODLGIAWKCSAP-HZPDHXFCSA-N 0 3 294.439 2.467 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@]2(CCOC2)C1 ZINC000451901382 331046778 /nfs/dbraw/zinc/04/67/78/331046778.db2.gz MZNJNHRWSYBSEX-DOTOQJQBSA-N 0 3 294.439 2.302 20 30 CEEDHN CC#CCCN(CCO)Cc1cccc(OCC)c1 ZINC000452050516 331052110 /nfs/dbraw/zinc/05/21/10/331052110.db2.gz VZFKKIADLNQYNV-UHFFFAOYSA-N 0 3 261.365 2.293 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452582697 331069647 /nfs/dbraw/zinc/06/96/47/331069647.db2.gz XPTJXITVLREYLV-PBHICJAKSA-N 0 3 294.439 2.158 20 30 CEEDHN C=C(CC)CNC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000454496834 331147431 /nfs/dbraw/zinc/14/74/31/331147431.db2.gz CLOJXSSNPDDYJF-KGLIPLIRSA-N 0 3 267.417 2.372 20 30 CEEDHN CC(C#N)C(=O)NC1(Cc2ccccc2)CCOCC1 ZINC000456798587 331204332 /nfs/dbraw/zinc/20/43/32/331204332.db2.gz ZAVCMHOKOCMQKX-ZDUSSCGKSA-N 0 3 272.348 2.054 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000457630700 331229603 /nfs/dbraw/zinc/22/96/03/331229603.db2.gz CUNSRVBSCVAERT-LVQVYYBASA-N 0 3 294.439 2.203 20 30 CEEDHN C[C@H](CNC(=O)NCC(C)(C)CC#N)N1CCCC[C@H]1C ZINC000457699333 331231619 /nfs/dbraw/zinc/23/16/19/331231619.db2.gz GRDISRLRYNPJPL-ZIAGYGMSSA-N 0 3 294.443 2.488 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC000458332862 331249032 /nfs/dbraw/zinc/24/90/32/331249032.db2.gz KKJBRNSVGJXEAE-HOCLYGCPSA-N 0 3 279.428 2.371 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000458811499 331260902 /nfs/dbraw/zinc/26/09/02/331260902.db2.gz ONTOCOKYMDVATF-UONOGXRCSA-N 0 3 279.428 2.324 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459003809 331265795 /nfs/dbraw/zinc/26/57/95/331265795.db2.gz GGTVMVMBVWVJPD-ZNMIVQPWSA-N 0 3 292.427 2.052 20 30 CEEDHN CCN1C[C@@H](C)N(CCCSCC#N)[C@H](C)C1 ZINC000459451070 331281788 /nfs/dbraw/zinc/28/17/88/331281788.db2.gz ABMQFYLSZBDBNQ-CHWSQXEVSA-N 0 3 255.431 2.048 20 30 CEEDHN CC#CCCNCc1ccccc1N1CCO[C@H](C)C1 ZINC000459471001 331283372 /nfs/dbraw/zinc/28/33/72/331283372.db2.gz FFKJEAXJMKSJKD-OAHLLOKOSA-N 0 3 272.392 2.415 20 30 CEEDHN C=CCCCS(=O)(=O)N(C)C1CCN(C(C)C)CC1 ZINC000489097509 332041494 /nfs/dbraw/zinc/04/14/94/332041494.db2.gz FKRLDYUTOUNEBA-UHFFFAOYSA-N 0 3 288.457 2.087 20 30 CEEDHN C=CCCCS(=O)(=O)NC1CCN(C(C)(C)C)CC1 ZINC000489104482 332041503 /nfs/dbraw/zinc/04/15/03/332041503.db2.gz RAPAIKUCTXTUIJ-UHFFFAOYSA-N 0 3 288.457 2.135 20 30 CEEDHN C#CCN(C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)C1CCCC1 ZINC000490818762 332117410 /nfs/dbraw/zinc/11/74/10/332117410.db2.gz AUIRFQAHVPAKFG-BBRMVZONSA-N 0 3 289.423 2.057 20 30 CEEDHN C#CCNC(=O)C1CCN(CCCCC(F)(F)F)CC1 ZINC000491154270 332157657 /nfs/dbraw/zinc/15/76/57/332157657.db2.gz HUPMDVNDMPIKAP-UHFFFAOYSA-N 0 3 290.329 2.180 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000491297691 332184719 /nfs/dbraw/zinc/18/47/19/332184719.db2.gz RSSMVRDOMRXBKL-QLFBSQMISA-N 0 3 264.413 2.130 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000491347922 332194111 /nfs/dbraw/zinc/19/41/11/332194111.db2.gz AVHRFTYBPSZCHW-DZKIICNBSA-N 0 3 287.407 2.341 20 30 CEEDHN C#C[C@@H](C)N(C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000491516048 332227660 /nfs/dbraw/zinc/22/76/60/332227660.db2.gz QRHGCEZQWRWDEM-DGCLKSJQSA-N 0 3 267.756 2.033 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](CCC)C2CCC2)CC1 ZINC000491544116 332234367 /nfs/dbraw/zinc/23/43/67/332234367.db2.gz KJQGRMZTRJPEFS-INIZCTEOSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CCC(C(=O)NCC2(C3CCC3)CCC2)CC1 ZINC000491626195 332249901 /nfs/dbraw/zinc/24/99/01/332249901.db2.gz IMASEKFWUJVLJZ-UHFFFAOYSA-N 0 3 288.435 2.418 20 30 CEEDHN C#C[C@H](NCc1ccc(-n2cncn2)cc1)C(C)(C)C ZINC000491672488 332279067 /nfs/dbraw/zinc/27/90/67/332279067.db2.gz RXPMTIKBASYMFX-HNNXBMFYSA-N 0 3 268.364 2.405 20 30 CEEDHN C#CCN(C(=O)NCCN1[C@H](C)CCC[C@H]1C)C1CC1 ZINC000491681939 332284904 /nfs/dbraw/zinc/28/49/04/332284904.db2.gz OZKGUVZEXBSJKY-ZIAGYGMSSA-N 0 3 277.412 2.057 20 30 CEEDHN C#CCN(C(=O)NCCN1CCCC[C@@H]1CC)C1CC1 ZINC000491700100 332294761 /nfs/dbraw/zinc/29/47/61/332294761.db2.gz DDIPJHLEVVDGEQ-AWEZNQCLSA-N 0 3 277.412 2.058 20 30 CEEDHN C#CCn1ccc(CN(CC)CC2CC(F)(F)C2)n1 ZINC000491716650 332306415 /nfs/dbraw/zinc/30/64/15/332306415.db2.gz UHNPANPVNPSDDQ-UHFFFAOYSA-N 0 3 267.323 2.384 20 30 CEEDHN C#CCN(C(=O)NC[C@@H](N)c1ccccc1)C1CCCC1 ZINC000491735650 332316147 /nfs/dbraw/zinc/31/61/47/332316147.db2.gz FYRHTYZNFKHHMR-MRXNPFEDSA-N 0 3 285.391 2.274 20 30 CEEDHN C#C[C@@H](NCc1ccccc1C(=O)N(C)C)C(C)C ZINC000491736880 332317170 /nfs/dbraw/zinc/31/71/70/332317170.db2.gz VJASWXCBAPGRLM-OAHLLOKOSA-N 0 3 258.365 2.136 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C\c1ccc(Cl)s1 ZINC000491738919 332318447 /nfs/dbraw/zinc/31/84/47/332318447.db2.gz SWHWEBPUOHNTFR-VURMDHGXSA-N 0 3 296.823 2.486 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC(C)(C)[C@@H]1C(C)C ZINC000491767323 332335084 /nfs/dbraw/zinc/33/50/84/332335084.db2.gz IKVMIPSZDVWAKO-AWEZNQCLSA-N 0 3 279.428 2.018 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C\SCc1ccco1 ZINC000491781828 332345807 /nfs/dbraw/zinc/34/58/07/332345807.db2.gz OIOXGDCHQDWLBD-GHXNOFRVSA-N 0 3 292.404 2.098 20 30 CEEDHN C#CCN(C)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000491805223 332358872 /nfs/dbraw/zinc/35/88/72/332358872.db2.gz NSWFKZAFJRMONV-ZDUSSCGKSA-N 0 3 266.385 2.199 20 30 CEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)/C=C\CN(C)C ZINC000492490783 332399887 /nfs/dbraw/zinc/39/98/87/332399887.db2.gz ONOZXZQGJHZTLD-PWWFUAJNSA-N 0 3 273.336 2.034 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C\c2cccnc2C)CC1 ZINC000493564199 332445177 /nfs/dbraw/zinc/44/51/77/332445177.db2.gz WZQXCYFWMRDNGS-FPLPWBNLSA-N 0 3 297.402 2.007 20 30 CEEDHN C=CC[C@H](CO)CNCc1nc(CCC)cs1 ZINC000494193302 332466310 /nfs/dbraw/zinc/46/63/10/332466310.db2.gz YCSAPOVSRQYTGI-NSHDSACASA-N 0 3 254.399 2.370 20 30 CEEDHN C[C@H](CNC(=O)C1(C#N)CCCC1)N1CCC[C@H](C)C1 ZINC000249732851 334339694 /nfs/dbraw/zinc/33/96/94/334339694.db2.gz BRMSQNHPUOYBMJ-UONOGXRCSA-N 0 3 277.412 2.307 20 30 CEEDHN C=CCC[C@@H](C)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000575802106 335116491 /nfs/dbraw/zinc/11/64/91/335116491.db2.gz DDPYZYQEEWRPFO-CHWSQXEVSA-N 0 3 295.404 2.166 20 30 CEEDHN C#C[C@@H](NCc1cc(OC)c(O)c(OC)c1)C(C)C ZINC000311268409 333066452 /nfs/dbraw/zinc/06/64/52/333066452.db2.gz MCEGWDJGKJAUFK-GFCCVEGCSA-N 0 3 263.337 2.157 20 30 CEEDHN CCS[C@@H]1CCCC[C@H]1NCC(=O)N(CC)CCC#N ZINC000190045403 333202558 /nfs/dbraw/zinc/20/25/58/333202558.db2.gz GWVGMXVRAVFBKT-ZIAGYGMSSA-N 0 3 297.468 2.402 20 30 CEEDHN C=CCCCCCN1CCN(CCC(=O)OC)C[C@H]1C ZINC000193535089 333252437 /nfs/dbraw/zinc/25/24/37/333252437.db2.gz DDIOTCWNNMQEIR-OAHLLOKOSA-N 0 3 282.428 2.302 20 30 CEEDHN C=CCSCCNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000194627991 333273777 /nfs/dbraw/zinc/27/37/77/333273777.db2.gz JAFFNEAWWAWFHD-ZDUSSCGKSA-N 0 3 285.457 2.079 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000522256455 333273910 /nfs/dbraw/zinc/27/39/10/333273910.db2.gz BAOCYJSYOFEDND-SECBINFHSA-N 0 3 268.263 2.106 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000528450596 333438777 /nfs/dbraw/zinc/43/87/77/333438777.db2.gz VNMFIUPARUMXTK-CQSZACIVSA-N 0 3 294.439 2.347 20 30 CEEDHN CC#CCNC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000135032563 334113237 /nfs/dbraw/zinc/11/32/37/334113237.db2.gz SGSWBFXYQXFUFJ-QGZVFWFLSA-N 0 3 299.418 2.146 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000245455387 334194460 /nfs/dbraw/zinc/19/44/60/334194460.db2.gz SOMXDLOALJZZSJ-ILXRZTDVSA-N 0 3 277.412 2.259 20 30 CEEDHN C[C@H](CO)N(Cc1ccccc1C(C)(C)C#N)C[C@H](C)O ZINC000248975354 334323515 /nfs/dbraw/zinc/32/35/15/334323515.db2.gz UIASNBPJAWBBFU-KGLIPLIRSA-N 0 3 290.407 2.051 20 30 CEEDHN Cc1cc([C@@H](C)NC[C@@H](O)CN(C)CCC#N)c(C)s1 ZINC000555880290 334490946 /nfs/dbraw/zinc/49/09/46/334490946.db2.gz JTWHOLDYRSAIMF-TZMCWYRMSA-N 0 3 295.452 2.222 20 30 CEEDHN CCN(CC)C(=O)C1CCN([C@H](C)CCC#N)CC1 ZINC000566301730 334641481 /nfs/dbraw/zinc/64/14/81/334641481.db2.gz ONHGRHBASGNMMG-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)Nc1cccc2c1CCNC2 ZINC000568226247 334806279 /nfs/dbraw/zinc/80/62/79/334806279.db2.gz HDJBLCUTWNZXKS-LBPRGKRZSA-N 0 3 272.352 2.146 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCCC1)N1CCCCCC1 ZINC000175391611 335182445 /nfs/dbraw/zinc/18/24/45/335182445.db2.gz KBCKGSVFNLUEEZ-CYBMUJFWSA-N 0 3 263.385 2.203 20 30 CEEDHN C=CCOc1ccc(CNCC2([S@](C)=O)CC2)cc1 ZINC000380211572 335962661 /nfs/dbraw/zinc/96/26/61/335962661.db2.gz OTJBQWKTIKMVKQ-IBGZPJMESA-N 0 3 279.405 2.252 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1nc2cccnc2[nH]1 ZINC000330043711 534224199 /nfs/dbraw/zinc/22/41/99/534224199.db2.gz CLMVIORVGWYBBO-PHIMTYICSA-N 0 3 287.367 2.287 20 30 CEEDHN C#CCCN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000277098114 517301204 /nfs/dbraw/zinc/30/12/04/517301204.db2.gz SUTLINQPCBTCKK-HIFRSBDPSA-N 0 3 294.757 2.364 20 30 CEEDHN C=C[C@@H](C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000128234798 517343305 /nfs/dbraw/zinc/34/33/05/517343305.db2.gz FHPLFVPPDXWYCR-CYBMUJFWSA-N 0 3 297.468 2.222 20 30 CEEDHN C[C@@H](N(C)Cc1ccc(C#N)c(F)c1)C(C)(C)O ZINC000404179155 534285169 /nfs/dbraw/zinc/28/51/69/534285169.db2.gz ZEQIVGIRVJRNNG-SNVBAGLBSA-N 0 3 250.317 2.289 20 30 CEEDHN C[C@@H]1C[C@H](c2cccnc2)N(CCOCCC#N)C1 ZINC000339088151 518180883 /nfs/dbraw/zinc/18/08/83/518180883.db2.gz BDXKHNNLNCSQEX-UKRRQHHQSA-N 0 3 259.353 2.395 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000068918457 518268728 /nfs/dbraw/zinc/26/87/28/518268728.db2.gz OSHNTUIIZGIUID-UHFFFAOYSA-N 0 3 296.292 2.388 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000184281122 519105605 /nfs/dbraw/zinc/10/56/05/519105605.db2.gz VTXJFYNVOGEFIF-NSHDSACASA-N 0 3 283.755 2.138 20 30 CEEDHN CC[C@@H](C)N1CCN(Cc2cccc(C#N)c2)CC1 ZINC000055066347 522125987 /nfs/dbraw/zinc/12/59/87/522125987.db2.gz UWJLUDJQXHCROY-CQSZACIVSA-N 0 3 257.381 2.474 20 30 CEEDHN Cc1cnc([C@H](C)NC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)o1 ZINC000329241636 534629441 /nfs/dbraw/zinc/62/94/41/534629441.db2.gz NSPICZHIXUJOJV-XHVZSJERSA-N 0 3 292.383 2.030 20 30 CEEDHN Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)C(C)C#N ZINC000336603256 534689722 /nfs/dbraw/zinc/68/97/22/534689722.db2.gz YUJRBSMOXSJOLI-GXTWGEPZSA-N 0 3 296.374 2.495 20 30 CEEDHN Cc1nn(CC(=O)NCC2=CCN(C)CC2)c(C)c1Cl ZINC000329179204 534852059 /nfs/dbraw/zinc/85/20/59/534852059.db2.gz CYSOBKZZTOABDW-UHFFFAOYSA-N 0 3 296.802 2.372 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ncc(CN(C)C)s1 ZINC000352866491 526834307 /nfs/dbraw/zinc/83/43/07/526834307.db2.gz LTHGIPSDWMZBEM-IUODEOHRSA-N 0 3 295.452 2.276 20 30 CEEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(OC)c(O)c1 ZINC000353349652 527082511 /nfs/dbraw/zinc/08/25/11/527082511.db2.gz LDQIZXFVHVTZMZ-VXGBXAGGSA-N 0 3 265.353 2.236 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000344290429 527184952 /nfs/dbraw/zinc/18/49/52/527184952.db2.gz NUIUXGMFAVTPJU-QWHCGFSZSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000353796881 527288057 /nfs/dbraw/zinc/28/80/57/527288057.db2.gz JFIVVASKFBTICR-SOUVJXGZSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000344645129 527370273 /nfs/dbraw/zinc/37/02/73/527370273.db2.gz XFQWDRJEDRWJCK-KBPBESRZSA-N 0 3 282.428 2.156 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344708818 527533018 /nfs/dbraw/zinc/53/30/18/527533018.db2.gz YDKGGOSLAXFUTN-PBHICJAKSA-N 0 3 296.455 2.452 20 30 CEEDHN CC(C)(C)C(=O)N1CCC(N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000350461256 527570846 /nfs/dbraw/zinc/57/08/46/527570846.db2.gz MXVJLNGUDAIJMY-OCCSQVGLSA-N 0 3 277.412 2.305 20 30 CEEDHN CC(C)COc1cccc(CNC(=O)C(C)C#N)c1 ZINC000347084943 528171802 /nfs/dbraw/zinc/17/18/02/528171802.db2.gz ZQDZOKKWAVTERN-LBPRGKRZSA-N 0 3 260.337 2.497 20 30 CEEDHN CCOC(=O)C[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC000061953824 528893721 /nfs/dbraw/zinc/89/37/21/528893721.db2.gz HPRVHGZRSBVTMO-LBPRGKRZSA-N 0 3 260.337 2.332 20 30 CEEDHN CC(C)[C@H](C(=O)N(C)C[C@H](C)C#N)N1CCCCC1 ZINC000354740859 528910134 /nfs/dbraw/zinc/91/01/34/528910134.db2.gz XTMATDDOBMMTDI-ZIAGYGMSSA-N 0 3 265.401 2.115 20 30 CEEDHN CC(C)N1CCC[C@H](NC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC000329969813 529019270 /nfs/dbraw/zinc/01/92/70/529019270.db2.gz WUEJUARYHUIXBI-KBPBESRZSA-N 0 3 290.411 2.275 20 30 CEEDHN CC[C@H](C)NC(=O)CCNCc1ccc(C#N)c(F)c1 ZINC000404261191 529154840 /nfs/dbraw/zinc/15/48/40/529154840.db2.gz RMVCUWDBGYGQBZ-NSHDSACASA-N 0 3 277.343 2.092 20 30 CEEDHN CC[C@H](C)N[C@H](CNC(=O)NCCCC#N)c1ccco1 ZINC000355076324 529183021 /nfs/dbraw/zinc/18/30/21/529183021.db2.gz FXTZXQVUJZSLOC-QWHCGFSZSA-N 0 3 292.383 2.312 20 30 CEEDHN CC[C@@](C)(CC(=O)OC)NCc1ccc(C#N)cc1 ZINC000748242189 574438015 /nfs/dbraw/zinc/43/80/15/574438015.db2.gz JRHJANOGBPBYHB-HNNXBMFYSA-N 0 3 260.337 2.380 20 30 CEEDHN C#CCNC(=O)CN(CC)[C@@H](CC)c1ccccc1 ZINC000746145642 574504047 /nfs/dbraw/zinc/50/40/47/574504047.db2.gz ZSXCOFOTOCDTFP-HNNXBMFYSA-N 0 3 258.365 2.209 20 30 CEEDHN C=C(C)CNC(=S)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000731490284 574596898 /nfs/dbraw/zinc/59/68/98/574596898.db2.gz KTYLBCVFRGUTIM-CQSZACIVSA-N 0 3 289.448 2.430 20 30 CEEDHN C=CC1CCN(C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000732448633 574621783 /nfs/dbraw/zinc/62/17/83/574621783.db2.gz HDCGLWSBOKPCOD-AWEZNQCLSA-N 0 3 279.428 2.468 20 30 CEEDHN CC(C)[C@@H](c1ccccc1)N(C)CC(=O)NCCC#N ZINC000732984065 574637902 /nfs/dbraw/zinc/63/79/02/574637902.db2.gz QOKFUFLEJLXJJD-INIZCTEOSA-N 0 3 273.380 2.345 20 30 CEEDHN C#CCCNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000733338438 574665721 /nfs/dbraw/zinc/66/57/21/574665721.db2.gz CFKQSMQZBYREMP-UHFFFAOYSA-N 0 3 299.418 2.495 20 30 CEEDHN C=C(C)COc1cc(CNCC[S@@](C)=O)ccc1OC ZINC000735085154 574742419 /nfs/dbraw/zinc/74/24/19/574742419.db2.gz HETOCMNMIGGEKX-HXUWFJFHSA-N 0 3 297.420 2.118 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CCCOC3)nc21 ZINC000735791623 574766661 /nfs/dbraw/zinc/76/66/61/574766661.db2.gz AGLGXARKJIXPLU-VXGBXAGGSA-N 0 3 283.331 2.474 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000735854401 574769128 /nfs/dbraw/zinc/76/91/28/574769128.db2.gz OQTBASIFWWXXCJ-LBPRGKRZSA-N 0 3 289.404 2.016 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2cccc(C)c2)CC1 ZINC000740737760 574967242 /nfs/dbraw/zinc/96/72/42/574967242.db2.gz WAPQHRZYQXAEBI-UHFFFAOYSA-N 0 3 270.376 2.213 20 30 CEEDHN CCCCCCCCN1CCC[C@@H]1CS(N)(=O)=O ZINC000740877820 574970709 /nfs/dbraw/zinc/97/07/09/574970709.db2.gz ZOIUEEDISKQRQR-CYBMUJFWSA-N 0 3 276.446 2.100 20 30 CEEDHN C#CCCN1CCC(NC(=O)CCC(C)(F)F)CC1 ZINC000743487385 575105223 /nfs/dbraw/zinc/10/52/23/575105223.db2.gz FBWMARJXVBECBE-UHFFFAOYSA-N 0 3 272.339 2.026 20 30 CEEDHN C#CCOc1ccccc1CN(C)CC1(C)COC1 ZINC000743848108 575110624 /nfs/dbraw/zinc/11/06/24/575110624.db2.gz WBKDBVXHNDADPB-UHFFFAOYSA-N 0 3 259.349 2.167 20 30 CEEDHN CC[C@H](Cc1ccc(C)cc1)N(C)CC(=O)NCCC#N ZINC000743858292 575111332 /nfs/dbraw/zinc/11/13/32/575111332.db2.gz WQYKOJSVIAVURF-MRXNPFEDSA-N 0 3 287.407 2.278 20 30 CEEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CC1)c1cccc(Cl)c1 ZINC000744030582 575112517 /nfs/dbraw/zinc/11/25/17/575112517.db2.gz IBLHJSPWLHIHMB-ZANVPECISA-N 0 3 290.750 2.431 20 30 CEEDHN C[C@@H]1COCCCN1Cc1ccc(OCC#N)cc1 ZINC000749508651 575223526 /nfs/dbraw/zinc/22/35/26/575223526.db2.gz DKIAWUPAWISXIM-CYBMUJFWSA-N 0 3 260.337 2.200 20 30 CEEDHN C#Cc1cccc(NC(=O)[C@H]2CCCN2CCC)c1 ZINC000749565155 575225732 /nfs/dbraw/zinc/22/57/32/575225732.db2.gz LYGCEULETMLHRR-OAHLLOKOSA-N 0 3 256.349 2.481 20 30 CEEDHN CC(C)CON=Cc1ccc(N(C)CCO)cc1 ZINC000749631028 575228174 /nfs/dbraw/zinc/22/81/74/575228174.db2.gz GNZCZXIILRLADX-UHFFFAOYSA-N 0 3 250.342 2.122 20 30 CEEDHN CCCCCCCCN1CCC[C@H]1CS(=O)(=O)NC ZINC000749852443 575237276 /nfs/dbraw/zinc/23/72/76/575237276.db2.gz FZMWIFWQDNMTIB-AWEZNQCLSA-N 0 3 290.473 2.361 20 30 CEEDHN C#CCOCCN[C@H](C)c1cc(OC)ccc1OC ZINC000753765184 575340350 /nfs/dbraw/zinc/34/03/50/575340350.db2.gz ADSVJNARIVWYCJ-GFCCVEGCSA-N 0 3 263.337 2.004 20 30 CEEDHN C[C@@H]1CCC(=CC(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000753800781 575343221 /nfs/dbraw/zinc/34/32/21/575343221.db2.gz FYVIUVDBOCIXBD-BIIGBYBUSA-N 0 3 283.331 2.475 20 30 CEEDHN C=CC[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC000823910012 608266584 /nfs/dbraw/zinc/26/65/84/608266584.db2.gz WCUIELWMECHFJG-UHFFFAOYSA-N 0 3 273.315 2.156 20 30 CEEDHN C=CC[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC000823910012 608266585 /nfs/dbraw/zinc/26/65/85/608266585.db2.gz WCUIELWMECHFJG-UHFFFAOYSA-N 0 3 273.315 2.156 20 30 CEEDHN C#CCCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823841381 608355256 /nfs/dbraw/zinc/35/52/56/608355256.db2.gz LYXHFVTXGTVLEQ-UHFFFAOYSA-N 0 3 281.363 2.245 20 30 CEEDHN C#CCCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823841381 608355258 /nfs/dbraw/zinc/35/52/58/608355258.db2.gz LYXHFVTXGTVLEQ-UHFFFAOYSA-N 0 3 281.363 2.245 20 30 CEEDHN C#CCCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823841381 608355260 /nfs/dbraw/zinc/35/52/60/608355260.db2.gz LYXHFVTXGTVLEQ-UHFFFAOYSA-N 0 3 281.363 2.245 20 30 CEEDHN C#CCCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823841381 608355262 /nfs/dbraw/zinc/35/52/62/608355262.db2.gz LYXHFVTXGTVLEQ-UHFFFAOYSA-N 0 3 281.363 2.245 20 30 CEEDHN C=CCCC[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000823894065 608395647 /nfs/dbraw/zinc/39/56/47/608395647.db2.gz GRHJPDUEZRQLFD-UHFFFAOYSA-N 0 3 275.331 2.404 20 30 CEEDHN C=CCCC[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000823894065 608395649 /nfs/dbraw/zinc/39/56/49/608395649.db2.gz GRHJPDUEZRQLFD-UHFFFAOYSA-N 0 3 275.331 2.404 20 30 CEEDHN C#CCCC[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823841933 609336972 /nfs/dbraw/zinc/33/69/72/609336972.db2.gz VUIBVKOSCLNBPU-JTQLQIEISA-N 0 3 273.315 2.070 20 30 CEEDHN C#CCCC[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823841933 609336974 /nfs/dbraw/zinc/33/69/74/609336974.db2.gz VUIBVKOSCLNBPU-JTQLQIEISA-N 0 3 273.315 2.070 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC000970882730 612961220 /nfs/dbraw/zinc/96/12/20/612961220.db2.gz CLXHDJLAMMQFCU-HUUCEWRRSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](c2ccccc2)C(C)C)C1 ZINC000970106081 612963437 /nfs/dbraw/zinc/96/34/37/612963437.db2.gz BYLMECULKOSQMX-SJORKVTESA-N 0 3 284.403 2.250 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC000970462239 612964151 /nfs/dbraw/zinc/96/41/51/612964151.db2.gz AHLRHICXBHJOJH-OAHLLOKOSA-N 0 3 293.370 2.119 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc(F)c(F)cc2Cl)C1 ZINC000970630024 612964680 /nfs/dbraw/zinc/96/46/80/612964680.db2.gz ZNGURAUKVIQWRF-SECBINFHSA-N 0 3 298.720 2.056 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000970561974 612964737 /nfs/dbraw/zinc/96/47/37/612964737.db2.gz HOIRVPCPCSWZEI-LLVKDONJSA-N 0 3 297.185 2.431 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc3cccc(C)c3o2)C1 ZINC000970811536 612964994 /nfs/dbraw/zinc/96/49/94/612964994.db2.gz GVHQLTDMGXSXNK-CQSZACIVSA-N 0 3 282.343 2.179 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000970556480 612966267 /nfs/dbraw/zinc/96/62/67/612966267.db2.gz UZLOAOXTRSKIIC-CYBMUJFWSA-N 0 3 296.292 2.143 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cccn2C2CCCC2)C1 ZINC000970352882 612966312 /nfs/dbraw/zinc/96/63/12/612966312.db2.gz KXJLPUAEBCHWPT-CQSZACIVSA-N 0 3 285.391 2.041 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC000970296698 612994006 /nfs/dbraw/zinc/99/40/06/612994006.db2.gz XMTQUFSBUSSSQR-HIFRSBDPSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC000970138037 612996470 /nfs/dbraw/zinc/99/64/70/612996470.db2.gz GKRISEVEALTJLW-NWANDNLSSA-N 0 3 276.424 2.128 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC000970386185 612996671 /nfs/dbraw/zinc/99/66/71/612996671.db2.gz YPSQNZGGDNIXGJ-UONOGXRCSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC000964840829 613014195 /nfs/dbraw/zinc/01/41/95/613014195.db2.gz YCGRIBCIROAUQY-CJNGLKHVSA-N 0 3 288.366 2.289 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccsc2)C1 ZINC000964938657 613014284 /nfs/dbraw/zinc/01/42/84/613014284.db2.gz TWBAVJAAUAKCRG-OCCSQVGLSA-N 0 3 276.405 2.212 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC000967280386 613015329 /nfs/dbraw/zinc/01/53/29/613015329.db2.gz XSPLTNGUCVJWGU-SJLPKXTDSA-N 0 3 298.430 2.387 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC000967418398 613015757 /nfs/dbraw/zinc/01/57/57/613015757.db2.gz ADBJDPGBKWIOKF-CXAGYDPISA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2(C)CCC2)C1 ZINC000967748670 613022625 /nfs/dbraw/zinc/02/26/25/613022625.db2.gz ONTVZQVHAISPGA-KBPBESRZSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC000967007506 613024087 /nfs/dbraw/zinc/02/40/87/613024087.db2.gz NUJWTQQJWZUKAK-GXTWGEPZSA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC000964799730 613024114 /nfs/dbraw/zinc/02/41/14/613024114.db2.gz 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C=C(C)CN1C[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C(C)(C)C1 ZINC000973011596 613341844 /nfs/dbraw/zinc/34/18/44/613341844.db2.gz SRBWKWQECWVQCB-LJISPDSOSA-N 0 3 276.424 2.435 20 30 CEEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1CC1 ZINC000960245591 613350485 /nfs/dbraw/zinc/35/04/85/613350485.db2.gz XKIBABCQVUTAAF-HZPDHXFCSA-N 0 3 270.376 2.344 20 30 CEEDHN C=C(Cl)CN1CCC[C@H]1[C@H]1CCCN(C(C)=O)C1 ZINC000963204671 613374300 /nfs/dbraw/zinc/37/43/00/613374300.db2.gz GJLHZGZCZNWVJK-KBPBESRZSA-N 0 3 270.804 2.462 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3cncs3)C2)C1 ZINC000969882895 613393926 /nfs/dbraw/zinc/39/39/26/613393926.db2.gz HVMAZCPSYAHUDJ-GFCCVEGCSA-N 0 3 291.420 2.190 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCCN(CCCF)CC1 ZINC000981753976 613431286 /nfs/dbraw/zinc/43/12/86/613431286.db2.gz QCHZLWSNGUSEBK-UHFFFAOYSA-N 0 3 256.365 2.093 20 30 CEEDHN C=CCCN1CCCN(C(=O)C2(c3ccccn3)CC2)CC1 ZINC000981160753 613492441 /nfs/dbraw/zinc/49/24/41/613492441.db2.gz XQYFAVNYQACAIH-UHFFFAOYSA-N 0 3 299.418 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CC(=O)N[C@@]12CCC[C@@H]1N(Cc1cccc(C#N)c1)CC2 ZINC000989871347 632262328 /nfs/dbraw/zinc/26/23/28/632262328.db2.gz SRSPNHIASRKLDZ-DLBZAZTESA-N 0 3 283.375 2.191 20 30 CEEDHN C[C@@H](C#N)CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000810722023 632266020 /nfs/dbraw/zinc/26/60/20/632266020.db2.gz LRNUHYGFEFQFDH-BLLLJJGKSA-N 0 3 295.402 2.350 20 30 CEEDHN C=C(C)CN1CC[C@]2(NC(=O)C(C)(C)F)CCC[C@H]12 ZINC000989899672 632274759 /nfs/dbraw/zinc/27/47/59/632274759.db2.gz NESMABJCHUHNRV-SWLSCSKDSA-N 0 3 268.376 2.424 20 30 CEEDHN C=C(C)CN1CC[C@@]2(NC(=O)C(C)(C)F)CCC[C@@H]12 ZINC000989899670 632275387 /nfs/dbraw/zinc/27/53/87/632275387.db2.gz NESMABJCHUHNRV-DOMZBBRYSA-N 0 3 268.376 2.424 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(F)nc3)CCC[C@H]12 ZINC000990044320 632307739 /nfs/dbraw/zinc/30/77/39/632307739.db2.gz WOVUSHXEQDRPRN-BBRMVZONSA-N 0 3 289.354 2.134 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3[nH]ccc3C)CCC[C@@H]12 ZINC000990499227 632372077 /nfs/dbraw/zinc/37/20/77/632372077.db2.gz 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C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)Cc1ccsc1 ZINC000876612658 650359015 /nfs/dbraw/zinc/35/90/15/650359015.db2.gz SKWUIXUDOHLHEY-GXSJLCMTSA-N 0 3 272.801 2.265 20 30 CEEDHN CCC[C@@H](OC)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000835059372 638042976 /nfs/dbraw/zinc/04/29/76/638042976.db2.gz IDCFJBWWZVEHOE-WCQYABFASA-N 0 3 261.325 2.085 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)CCSCC ZINC000876669280 650391140 /nfs/dbraw/zinc/39/11/40/650391140.db2.gz HJCJDWPSDMSGEP-NXEZZACHSA-N 0 3 264.822 2.104 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)CCSC ZINC000876673678 650393403 /nfs/dbraw/zinc/39/34/03/650393403.db2.gz POUIGDSPHXFVEE-ZJUUUORDSA-N 0 3 264.822 2.056 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C(C)C)CC1 ZINC000876684721 650398084 /nfs/dbraw/zinc/39/80/84/650398084.db2.gz IAZJNRHLTKTJBJ-GFCCVEGCSA-N 0 3 258.793 2.351 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C[C@H](O)c1ccccc1 ZINC000876688159 650400164 /nfs/dbraw/zinc/40/01/64/650400164.db2.gz VNWVEMIAQSASRU-UBHSHLNASA-N 0 3 296.798 2.085 20 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279.428 2.162 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000836490283 638649787 /nfs/dbraw/zinc/64/97/87/638649787.db2.gz ROQAQJODSRDQRW-SOUVJXGZSA-N 0 3 279.428 2.065 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(COC)cc1 ZINC000912356089 638657472 /nfs/dbraw/zinc/65/74/72/638657472.db2.gz IFZZDHWUVMBHGS-OAHLLOKOSA-N 0 3 276.380 2.133 20 30 CEEDHN CCN1CCN(c2ccc(NC(=O)C#CC3CC3)cc2)CC1 ZINC000837318239 639183086 /nfs/dbraw/zinc/18/30/86/639183086.db2.gz XRLHDFOQQFXMCM-UHFFFAOYSA-N 0 3 297.402 2.180 20 30 CEEDHN Cc1ccc([C@@H](CNC(=O)C#CC2CC2)N(C)C)cc1 ZINC000837370418 639206022 /nfs/dbraw/zinc/20/60/22/639206022.db2.gz UCKFMKGCGPOPGT-MRXNPFEDSA-N 0 3 270.376 2.127 20 30 CEEDHN Cc1ccc(CN(C)C)cc1NC(=O)C#CC1CC1 ZINC000837453913 639235076 /nfs/dbraw/zinc/23/50/76/639235076.db2.gz JIWDOOTUDQFUBK-UHFFFAOYSA-N 0 3 256.349 2.409 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CN1Cc1ccccc1 ZINC000837464571 639240541 /nfs/dbraw/zinc/24/05/41/639240541.db2.gz JKECHKNVUMVUCZ-RHSMWYFYSA-N 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640484085 /nfs/dbraw/zinc/48/40/85/640484085.db2.gz BEZJJLGVRNJXAO-UKRRQHHQSA-N 0 3 291.395 2.071 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@@H]1C ZINC000993434826 640644788 /nfs/dbraw/zinc/64/47/88/640644788.db2.gz VOGZVOWEMIXZRC-XJKSGUPXSA-N 0 3 299.418 2.498 20 30 CEEDHN C=C(C)CONC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000844283936 640657233 /nfs/dbraw/zinc/65/72/33/640657233.db2.gz KFUFZVSAKRXGFV-AWEZNQCLSA-N 0 3 277.368 2.096 20 30 CEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2cncc(C)c2)[C@@H]1C ZINC000993642109 640661755 /nfs/dbraw/zinc/66/17/55/640661755.db2.gz MFRZUOKMBAHIFI-GOEBONIOSA-N 0 3 287.407 2.088 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(C)c(C)n2)[C@H]1C ZINC000993624028 640663955 /nfs/dbraw/zinc/66/39/55/640663955.db2.gz RAXOJUDOEPJFTN-CVEARBPZSA-N 0 3 299.418 2.304 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(C#C)cc2)[C@@H]1C ZINC000993667899 640665769 /nfs/dbraw/zinc/66/57/69/640665769.db2.gz IHLUBZMVIOHTKO-YJBOKZPZSA-N 0 3 294.398 2.274 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc[nH]c2C2CC2)[C@H]1C ZINC000993707606 640668555 /nfs/dbraw/zinc/66/85/55/640668555.db2.gz BBJOLLJKKSVTNH-CZUORRHYSA-N 0 3 299.418 2.498 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC000993717885 640669085 /nfs/dbraw/zinc/66/90/85/640669085.db2.gz JEFTWIPIFDXPGU-HIFRSBDPSA-N 0 3 276.424 2.415 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2occc2C)[C@@H]1C ZINC000993767318 640675337 /nfs/dbraw/zinc/67/53/37/640675337.db2.gz XPMZQPWTDISBRD-GJZGRUSLSA-N 0 3 288.391 2.123 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C)[nH]c2C)[C@H]1C ZINC000993901766 640685521 /nfs/dbraw/zinc/68/55/21/640685521.db2.gz KYYDZZWERPKSOO-ZBFHGGJFSA-N 0 3 287.407 2.238 20 30 CEEDHN C#CCNC(=O)CCNC1(c2ccccc2Cl)CCC1 ZINC000844349937 640687864 /nfs/dbraw/zinc/68/78/64/640687864.db2.gz DYRVJSCKXUZLIP-UHFFFAOYSA-N 0 3 290.794 2.448 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccco2)[C@H]1C ZINC000994059797 640692463 /nfs/dbraw/zinc/69/24/63/640692463.db2.gz UEGDSJQQQQYZJF-HIFRSBDPSA-N 0 3 276.380 2.367 20 30 CEEDHN Cc1cc(C)n(CCN(C)C[C@H](O)c2cccc(C#N)c2)n1 ZINC000844369277 640695501 /nfs/dbraw/zinc/69/55/01/640695501.db2.gz JXTZZVUGUFCIAP-KRWDZBQOSA-N 0 3 298.390 2.037 20 30 CEEDHN CN(CCc1cncs1)C[C@H](O)c1cccc(C#N)c1 ZINC000844372412 640697036 /nfs/dbraw/zinc/69/70/36/640697036.db2.gz YHUMDDDJWIPOKJ-HNNXBMFYSA-N 0 3 287.388 2.223 20 30 CEEDHN CN(C[C@H](O)c1cccc(C#N)c1)C[C@H]1CCC(C)(C)O1 ZINC000844372380 640697050 /nfs/dbraw/zinc/69/70/50/640697050.db2.gz XVXCCONMXFDCIT-CVEARBPZSA-N 0 3 288.391 2.481 20 30 CEEDHN C(=NNCCN1CCCCC1)c1ccc(-n2ccnc2)cc1 ZINC000915974782 640712448 /nfs/dbraw/zinc/71/24/48/640712448.db2.gz KUNCBKLUVLRFNL-UHFFFAOYSA-N 0 3 297.406 2.282 20 30 CEEDHN C=C[C@@H](C)ONC(=O)Nc1cccc(CN(C)C)c1 ZINC000844501026 640751692 /nfs/dbraw/zinc/75/16/92/640751692.db2.gz LRVGJDXGMNWOQE-LLVKDONJSA-N 0 3 263.341 2.376 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)C)[C@H]1C ZINC000994266855 640793334 /nfs/dbraw/zinc/79/33/34/640793334.db2.gz VYTCUCCNFKXECU-CHWSQXEVSA-N 0 3 250.386 2.025 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2[nH]cnc2CC)[C@H]1C ZINC000994299154 640808893 /nfs/dbraw/zinc/80/88/93/640808893.db2.gz TYIFWSKRPQFTQX-OCCSQVGLSA-N 0 3 290.411 2.131 20 30 CEEDHN C#CCC1(NC(=O)N[C@@H]2CCN(C3CC3)C2)CCCCC1 ZINC000918879996 640999681 /nfs/dbraw/zinc/99/96/81/640999681.db2.gz BJNAQMSKPCURPO-CQSZACIVSA-N 0 3 289.423 2.249 20 30 CEEDHN CNC(=O)C(C#N)C(=O)CCC(C)(C)c1ccccc1 ZINC000155164029 641107456 /nfs/dbraw/zinc/10/74/56/641107456.db2.gz BEAJIHIFWFQOCD-CYBMUJFWSA-N 0 3 272.348 2.199 20 30 CEEDHN CCCCCCCCCN1CCN(CCO)CC1 ZINC000106385932 641320523 /nfs/dbraw/zinc/32/05/23/641320523.db2.gz BSSFGPOZSMHLCC-UHFFFAOYSA-N 0 3 256.434 2.347 20 30 CEEDHN CCN1CCN([C@@H](C)CNc2ccc(C#N)cc2C)CC1 ZINC000846745943 641409686 /nfs/dbraw/zinc/40/96/86/641409686.db2.gz PFHGBXRFWLFIFA-HNNXBMFYSA-N 0 3 286.423 2.305 20 30 CEEDHN C=CCCn1cc(CNC2(CCO)CCCCC2)nn1 ZINC000846831130 641443157 /nfs/dbraw/zinc/44/31/57/641443157.db2.gz JPZVTBGCJTXXMJ-UHFFFAOYSA-N 0 3 278.400 2.029 20 30 CEEDHN C=CC(C)(C)CCCNC(=O)[C@@]1(COC)CCCCN1 ZINC000877304395 650663826 /nfs/dbraw/zinc/66/38/26/650663826.db2.gz ZSVSFSLBUDPBHP-INIZCTEOSA-N 0 3 282.428 2.254 20 30 CEEDHN C#C[C@H]1CCCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000847020404 641525200 /nfs/dbraw/zinc/52/52/00/641525200.db2.gz BJOMFMUOAJNBGW-GOEBONIOSA-N 0 3 284.359 2.357 20 30 CEEDHN C#C[C@@H]1CCCN([C@@H](C)C(=O)N(CC)CC(=C)C)C1 ZINC000847021819 641527171 /nfs/dbraw/zinc/52/71/71/641527171.db2.gz BNGGYGURQVFIIN-LSDHHAIUSA-N 0 3 262.397 2.145 20 30 CEEDHN C#C[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000847024704 641529825 /nfs/dbraw/zinc/52/98/25/641529825.db2.gz RPNKQLOBMUVCTD-CYBMUJFWSA-N 0 3 274.320 2.319 20 30 CEEDHN C[C@@H](C#N)OCCN(C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000847063547 641553458 /nfs/dbraw/zinc/55/34/58/641553458.db2.gz CFGRAQSSHAFXTA-JTQLQIEISA-N 0 3 298.289 2.369 20 30 CEEDHN CC(=O)OCC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000847745979 641758609 /nfs/dbraw/zinc/75/86/09/641758609.db2.gz UWEWJHZOGMJLNA-UHFFFAOYSA-N 0 3 272.348 2.355 20 30 CEEDHN C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC000995498330 641980075 /nfs/dbraw/zinc/98/00/75/641980075.db2.gz KWCDPUFYNIQOQK-HNNXBMFYSA-N 0 3 288.391 2.409 20 30 CEEDHN CC(C)OCCON=C1CCCN2CCCC[C@@H]12 ZINC000848409465 641981581 /nfs/dbraw/zinc/98/15/81/641981581.db2.gz APZIGRSCGYXFOD-AWEZNQCLSA-N 0 3 254.374 2.432 20 30 CEEDHN C=CC[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccncc1 ZINC000848414518 641984100 /nfs/dbraw/zinc/98/41/00/641984100.db2.gz NNBITHJXUZNHJJ-GJZGRUSLSA-N 0 3 286.379 2.226 20 30 CEEDHN N#CC(C(=O)CCc1cscn1)c1ccccn1 ZINC000073088472 642024990 /nfs/dbraw/zinc/02/49/90/642024990.db2.gz LPAOTFLHIAJZGG-LLVKDONJSA-N 0 3 257.318 2.347 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(C)o2)CC1 ZINC000996910282 642158258 /nfs/dbraw/zinc/15/82/58/642158258.db2.gz IJDJHDWEKXUOMO-CYBMUJFWSA-N 0 3 274.364 2.052 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccoc2CC)CC1 ZINC000997055090 642178610 /nfs/dbraw/zinc/17/86/10/642178610.db2.gz UVUHDOLOLZBYAN-CYBMUJFWSA-N 0 3 288.391 2.306 20 30 CEEDHN C#C[C@H](NCc1cccc(CC)c1O)[C@@H]1CCCO1 ZINC000848904209 642181395 /nfs/dbraw/zinc/18/13/95/642181395.db2.gz NKMKOHCLYMCDPX-GJZGRUSLSA-N 0 3 259.349 2.225 20 30 CEEDHN CO[C@@H](CNCc1ccc(C#N)cn1)C1CCCC1 ZINC000877460934 650728961 /nfs/dbraw/zinc/72/89/61/650728961.db2.gz YNPHWIATSHNNJB-HNNXBMFYSA-N 0 3 259.353 2.248 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCCC23CC3)CC1 ZINC000997172577 642225382 /nfs/dbraw/zinc/22/53/82/642225382.db2.gz YLIUAIPNEXSPTK-ZBFHGGJFSA-N 0 3 288.435 2.417 20 30 CEEDHN C=C1CCC(CNS(=O)(=O)N2CC3CCC2C3)CC1 ZINC000921601644 642254071 /nfs/dbraw/zinc/25/40/71/642254071.db2.gz KTQOKHKDBRCLIP-KBPBESRZSA-N 0 3 284.425 2.052 20 30 CEEDHN N#Cc1ccccc1CNCC1CCN(C(=O)C2CC2)CC1 ZINC000997461203 642266587 /nfs/dbraw/zinc/26/65/87/642266587.db2.gz LCSRVSOKUVIALS-UHFFFAOYSA-N 0 3 297.402 2.296 20 30 CEEDHN C#CCn1ccc(CN(CC)C[C@@H](C)CCC#N)n1 ZINC000877485106 650744565 /nfs/dbraw/zinc/74/45/65/650744565.db2.gz KTDIPNUDUQOAOI-AWEZNQCLSA-N 0 3 258.369 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/nfs/dbraw/zinc/41/98/50/643419850.db2.gz YQNIVXROOWIZCM-HUUCEWRRSA-N 0 3 291.439 2.304 20 30 CEEDHN CCCCC[C@H]1CCCCN1CC(=O)NCCC#N ZINC000852712865 643522160 /nfs/dbraw/zinc/52/21/60/643522160.db2.gz YCSZQPRNRFGSKJ-AWEZNQCLSA-N 0 3 265.401 2.451 20 30 CEEDHN N#Cc1ccc(CN(C[C@@H]2C[C@H]3COC[C@@H]3O2)C2CC2)cc1 ZINC000929366577 643583329 /nfs/dbraw/zinc/58/33/29/643583329.db2.gz BEZVJNKUBHUBGT-SZMVWBNQSA-N 0 3 298.386 2.327 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CC23CCC3)CC1 ZINC001006061193 643676931 /nfs/dbraw/zinc/67/69/31/643676931.db2.gz RICVNNRQMWIQKJ-CQSZACIVSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CC[C@@H]1CCCN(CN2C[C@@H]3CCC[C@H]3C2=O)C1 ZINC000853537396 643807057 /nfs/dbraw/zinc/80/70/57/643807057.db2.gz WYSHVZLFIDUWRA-QLFBSQMISA-N 0 3 262.397 2.491 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1CCSC1=S ZINC000853598443 643825089 /nfs/dbraw/zinc/82/50/89/643825089.db2.gz RGVQWWQKMYLRDA-PHIMTYICSA-N 0 3 254.424 2.461 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC[C@H](C)C(C)(C)C1 ZINC000838623836 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ZINC000757034475 644721640 /nfs/dbraw/zinc/72/16/40/644721640.db2.gz OVCSWXJXKFHAGO-RDJZCZTQSA-N 0 3 297.402 2.287 20 30 CEEDHN C=CC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877918847 650947062 /nfs/dbraw/zinc/94/70/62/650947062.db2.gz WYYUMZKAXMVAMZ-LBPRGKRZSA-N 0 3 276.340 2.076 20 30 CEEDHN C=CCNC(=S)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000757539445 644810329 /nfs/dbraw/zinc/81/03/29/644810329.db2.gz DIIYWRUNPASBSX-ZFWWWQNUSA-N 0 3 289.448 2.300 20 30 CEEDHN C=CCN(C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)C(C)C ZINC000757792749 644846383 /nfs/dbraw/zinc/84/63/83/644846383.db2.gz QDSHINLINSCJMV-OCCSQVGLSA-N 0 3 265.401 2.075 20 30 CEEDHN COc1ccc(N2CCC(NC[C@@H](C)C#N)CC2)cc1 ZINC000757907854 644855822 /nfs/dbraw/zinc/85/58/22/644855822.db2.gz PUBODOYJIQPVIF-ZDUSSCGKSA-N 0 3 273.380 2.413 20 30 CEEDHN C#CCOCCN1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858050121 645052995 /nfs/dbraw/zinc/05/29/95/645052995.db2.gz CUMDRKDTHYWPLJ-INIZCTEOSA-N 0 3 286.375 2.062 20 30 CEEDHN C#CC[C@@H](COC)NCc1ccc([N+](=O)[O-])cc1C ZINC000858334691 645122240 /nfs/dbraw/zinc/12/22/40/645122240.db2.gz FRRGXANLACYYLX-ZDUSSCGKSA-N 0 3 262.309 2.031 20 30 CEEDHN C#CC[C@H](COC)NCc1cncc(Br)c1C ZINC000858335065 645123085 /nfs/dbraw/zinc/12/30/85/645123085.db2.gz VFXFMEGKMGOOGD-GFCCVEGCSA-N 0 3 297.196 2.280 20 30 CEEDHN C#CC[C@@H](COC)NCC1=Cc2ccccc2OC1 ZINC000858335645 645123275 /nfs/dbraw/zinc/12/32/75/645123275.db2.gz BNEVKAYPIWIQRY-HNNXBMFYSA-N 0 3 257.333 2.090 20 30 CEEDHN C#C[C@@H]1CCCN(C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000858872272 645277949 /nfs/dbraw/zinc/27/79/49/645277949.db2.gz WZQVNVBCLLXOQH-GDBMZVCRSA-N 0 3 289.423 2.058 20 30 CEEDHN C#CCOc1ccc(CN=Nc2cnn(C)c2)cc1OCC ZINC000761865842 645328371 /nfs/dbraw/zinc/32/83/71/645328371.db2.gz FLTAVBSRXSEIHQ-UHFFFAOYSA-N 0 3 298.346 2.277 20 30 CEEDHN C#CCCOC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000859062110 645343350 /nfs/dbraw/zinc/34/33/50/645343350.db2.gz OEDPFHXQQXWUEJ-GOEBONIOSA-N 0 3 286.375 2.399 20 30 CEEDHN C#CCCOC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000859149516 645388452 /nfs/dbraw/zinc/38/84/52/645388452.db2.gz GNSJDRQZEWCFGM-OAHLLOKOSA-N 0 3 290.363 2.047 20 30 CEEDHN C#CCCOC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000859186817 645407839 /nfs/dbraw/zinc/40/78/39/645407839.db2.gz DKWSEQNPCYFPQA-UHFFFAOYSA-N 0 3 280.393 2.272 20 30 CEEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)[C@H]1C ZINC000859272676 645442941 /nfs/dbraw/zinc/44/29/41/645442941.db2.gz UGFIHIKFTWLKLQ-SWLSCSKDSA-N 0 3 272.348 2.250 20 30 CEEDHN C#C[C@](C)(CC)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000859320425 645457075 /nfs/dbraw/zinc/45/70/75/645457075.db2.gz ZMHBSABXNCLPJH-GOEBONIOSA-N 0 3 262.397 2.312 20 30 CEEDHN C=CCN1CCC(NC(=O)c2nc(Cl)sc2C)CC1 ZINC000762863260 645468917 /nfs/dbraw/zinc/46/89/17/645468917.db2.gz ASGNWBHVOOIXTP-UHFFFAOYSA-N 0 3 299.827 2.485 20 30 CEEDHN CCCCCCNC(=O)[C@@H]1CCCN(CC#CCOC)C1 ZINC000762915594 645478385 /nfs/dbraw/zinc/47/83/85/645478385.db2.gz AOQZSYARIOEWPA-MRXNPFEDSA-N 0 3 294.439 2.045 20 30 CEEDHN C[C@H](NC(=O)C1(N(C)C)CCC1)c1ccc(C#N)cc1 ZINC000762974793 645485904 /nfs/dbraw/zinc/48/59/04/645485904.db2.gz QCBYPHIYOMXTNH-LBPRGKRZSA-N 0 3 271.364 2.220 20 30 CEEDHN C[C@@H](NC(=O)C1(N(C)C)CCC1)c1cccc(C#N)c1 ZINC000763056662 645497091 /nfs/dbraw/zinc/49/70/91/645497091.db2.gz LTZDQICJYGOWDO-GFCCVEGCSA-N 0 3 271.364 2.220 20 30 CEEDHN CSc1ccc(C(C)=NNC(=N)N)c(Cl)c1 ZINC000763353857 645536967 /nfs/dbraw/zinc/53/69/67/645536967.db2.gz INQFPKHKXILRDJ-UHFFFAOYSA-N 0 3 256.762 2.269 20 30 CEEDHN C=CC[C@@H](C)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000878236037 651042198 /nfs/dbraw/zinc/04/21/98/651042198.db2.gz NTKLKUUIPDBBSS-OAHLLOKOSA-N 0 3 293.455 2.018 20 30 CEEDHN CCC[C@@H](OCC)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000860465608 645799501 /nfs/dbraw/zinc/79/95/01/645799501.db2.gz KZSDRXZVXFJPSZ-GXTWGEPZSA-N 0 3 275.352 2.475 20 30 CEEDHN C#CCC(C)(C)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000767057923 645950068 /nfs/dbraw/zinc/95/00/68/645950068.db2.gz QWPQWKAYPYVROT-CYBMUJFWSA-N 0 3 250.386 2.027 20 30 CEEDHN CCCC[C@H](ON=C(C)C)C(=O)NCCN1CCCC1 ZINC000767790933 646040614 /nfs/dbraw/zinc/04/06/14/646040614.db2.gz YJPICCUJBUQIIN-AWEZNQCLSA-N 0 3 283.416 2.170 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000861643314 646237405 /nfs/dbraw/zinc/23/74/05/646237405.db2.gz CRHKSQVPBJWHAN-RHSMWYFYSA-N 0 3 299.418 2.481 20 30 CEEDHN C#CC[C@@H](CCOC)NCc1ccc2c(n1)CCC2 ZINC000862549238 646495280 /nfs/dbraw/zinc/49/52/80/646495280.db2.gz XVGUPLQTTVHQBN-AWEZNQCLSA-N 0 3 258.365 2.088 20 30 CEEDHN C#CC[C@@H](CCOC)NCc1cnc2ccccc2n1 ZINC000862549101 646495808 /nfs/dbraw/zinc/49/58/08/646495808.db2.gz VFSDXUAKNHYHCT-ZDUSSCGKSA-N 0 3 269.348 2.148 20 30 CEEDHN COc1cccc(NC(=O)C(C#N)C(=O)Cc2ccco2)c1 ZINC000772645622 646654221 /nfs/dbraw/zinc/65/42/21/646654221.db2.gz NXPOINSZRPXRCY-CQSZACIVSA-N 0 3 298.298 2.178 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCCC23CC3)CC1 ZINC000863779354 646811838 /nfs/dbraw/zinc/81/18/38/646811838.db2.gz UQSCKBCRXVTJFZ-HNNXBMFYSA-N 0 3 274.408 2.028 20 30 CEEDHN C#C[C@H](N[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCCO1 ZINC000775571871 646967651 /nfs/dbraw/zinc/96/76/51/646967651.db2.gz LTTVXPSIUOUVIE-HYVNUMGLSA-N 0 3 270.376 2.036 20 30 CEEDHN CC(C)C[C@H](C)OCCC(=O)C(C#N)C(=O)NC(C)C ZINC000120081981 647036118 /nfs/dbraw/zinc/03/61/18/647036118.db2.gz PRAAWPHZWMTTHJ-QWHCGFSZSA-N 0 3 282.384 2.061 20 30 CEEDHN C#CCCN1CCN([C@@H](CCOC)c2ccccc2)CC1 ZINC000776593876 647076387 /nfs/dbraw/zinc/07/63/87/647076387.db2.gz OPOMYIDRTGZPLI-SFHVURJKSA-N 0 3 286.419 2.405 20 30 CEEDHN C#CCSCCNCc1cnc(Cl)c(F)c1 ZINC000865471154 647310915 /nfs/dbraw/zinc/31/09/15/647310915.db2.gz PUKLGPLUMCHHDJ-UHFFFAOYSA-N 0 3 258.749 2.330 20 30 CEEDHN Cn1cc(CN[C@@H]2Cc3ccc(C#N)cc3C2)c(Cl)n1 ZINC000865846908 647490894 /nfs/dbraw/zinc/49/08/94/647490894.db2.gz ANQMTGOYTZRYOV-CQSZACIVSA-N 0 3 286.766 2.202 20 30 CEEDHN C#CCCN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000782092343 647587838 /nfs/dbraw/zinc/58/78/38/647587838.db2.gz SDTSETPNKDCSAJ-LBPRGKRZSA-N 0 3 257.255 2.352 20 30 CEEDHN CC[C@@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1nccn1C ZINC000866618307 647844945 /nfs/dbraw/zinc/84/49/45/647844945.db2.gz YOLCXYUUCKKBND-HZPDHXFCSA-N 0 3 280.375 2.500 20 30 CEEDHN C[C@H](CCC#N)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000787765397 648137068 /nfs/dbraw/zinc/13/70/68/648137068.db2.gz QUJVPKWCDJPMLL-VXGBXAGGSA-N 0 3 295.408 2.401 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCc1csc(C)c1C ZINC000868652951 648212524 /nfs/dbraw/zinc/21/25/24/648212524.db2.gz JLQKYBVHYMMKBQ-UHFFFAOYSA-N 0 3 293.436 2.119 20 30 CEEDHN CC(C)(C)OC(=O)NC1CC(NCC(C)(C)C#N)C1 ZINC000122256271 648227090 /nfs/dbraw/zinc/22/70/90/648227090.db2.gz UMDKGPRPXNLELX-UHFFFAOYSA-N 0 3 267.373 2.181 20 30 CEEDHN N#CC(C(=O)[C@@H]1C[C@H]1C1CCOCC1)c1ccccn1 ZINC000870135601 648711017 /nfs/dbraw/zinc/71/10/17/648711017.db2.gz ATSQBMJFDGHJKB-BFHYXJOUSA-N 0 3 270.332 2.321 20 30 CEEDHN CC[C@H](NC(C)=O)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000870224765 648734872 /nfs/dbraw/zinc/73/48/72/648734872.db2.gz KCXPEYAHOQMQBO-QWRGUYRKSA-N 0 3 293.392 2.357 20 30 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C=C(C)C[C@H](CO)N[C@@H](C)c1cc(C(=O)OC)co1 ZINC000883391338 652453111 /nfs/dbraw/zinc/45/31/11/652453111.db2.gz IKDGQQWDBOAVLF-CMPLNLGQSA-N 0 3 267.325 2.044 20 30 CEEDHN CCCC[C@H](CC)CNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884043665 652654101 /nfs/dbraw/zinc/65/41/01/652654101.db2.gz FUDPJYFMPIOGBQ-BOLLXYOYSA-N 0 3 291.439 2.458 20 30 CEEDHN C[C@@H]1Cc2ccccc2N1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884044162 652654535 /nfs/dbraw/zinc/65/45/35/652654535.db2.gz XCWMEQWAJWXXJE-PBIRYHDKSA-N 0 3 295.386 2.104 20 30 CEEDHN CC(C)CC[C@H](C)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884047215 652658105 /nfs/dbraw/zinc/65/81/05/652658105.db2.gz KDPIDDYTDMJYPM-PGOFDVKTSA-N 0 3 277.412 2.067 20 30 CEEDHN Cc1ccc(N(C)C(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1 ZINC000884068593 652693396 /nfs/dbraw/zinc/69/33/96/652693396.db2.gz XHJCRVSOYLCGAA-UUCFBXCCSA-N 0 3 283.375 2.097 20 30 CEEDHN CCN(C(=O)C1CC2(C1)CNC[C@@H]2C#N)c1cccc(C)c1 ZINC000884068555 652693619 /nfs/dbraw/zinc/69/36/19/652693619.db2.gz VNNYURAEWQUHFN-CSLYMUCUSA-N 0 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ZINC001088460577 806262351 /nfs/dbraw/zinc/26/23/51/806262351.db2.gz TZBIBEHSEVQOGC-RISCZKNCSA-N 0 3 262.353 2.357 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)sn2)[C@H]1C ZINC001088544004 806364749 /nfs/dbraw/zinc/36/47/49/806364749.db2.gz ILTURKPIJUCNMO-NEPJUHHUSA-N 0 3 279.409 2.220 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001272067516 806410534 /nfs/dbraw/zinc/41/05/34/806410534.db2.gz IQZNVNIMRHDLPS-UKRRQHHQSA-N 0 3 250.386 2.143 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001272075025 806420940 /nfs/dbraw/zinc/42/09/40/806420940.db2.gz GSZYEYPDKZOWCA-MUJYYYPQSA-N 0 3 276.424 2.226 20 30 CEEDHN CC(C)N1CC[C@H](Oc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC001229188699 806455299 /nfs/dbraw/zinc/45/52/99/806455299.db2.gz LAADMKUGZCAOFF-LBPRGKRZSA-N 0 3 275.308 2.328 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@H]1C ZINC001088580675 806477966 /nfs/dbraw/zinc/47/79/66/806477966.db2.gz YSRCLMNDLSKVHC-UUAJXVIYSA-N 0 3 286.419 2.191 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)Cc1c(F)cccc1F ZINC001272093486 806509449 /nfs/dbraw/zinc/50/94/49/806509449.db2.gz RJMDUMOMVLMLIK-UHFFFAOYSA-N 0 3 282.334 2.084 20 30 CEEDHN CCOCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000127784488 806543747 /nfs/dbraw/zinc/54/37/47/806543747.db2.gz CCJIAHZTPHSQQE-AWEZNQCLSA-N 0 3 288.347 2.459 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C)c(F)c2)[C@H]1C ZINC001088721382 806686308 /nfs/dbraw/zinc/68/63/08/806686308.db2.gz NAZZMIZNWDJRRZ-CJNGLKHVSA-N 0 3 288.366 2.350 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[C@H]1C ZINC001088763360 806709004 /nfs/dbraw/zinc/70/90/04/806709004.db2.gz DBIREWXGITZWNJ-HMDCTGQHSA-N 0 3 288.435 2.415 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCCCC2(F)F)[C@H]1C ZINC001088770743 806713382 /nfs/dbraw/zinc/71/33/82/806713382.db2.gz BSRFOPZIJBBZRN-RDBSUJKOSA-N 0 3 298.377 2.414 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)[C@H]1C ZINC001088803536 806733033 /nfs/dbraw/zinc/73/30/33/806733033.db2.gz MFTLHRUXLRTQKT-RDBSUJKOSA-N 0 3 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C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001033434851 809298977 /nfs/dbraw/zinc/29/89/77/809298977.db2.gz FSIGKGNEQTWONH-MGPQQGTHSA-N 0 3 250.386 2.141 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc3cccnn32)C1 ZINC001033486163 809317479 /nfs/dbraw/zinc/31/74/79/809317479.db2.gz RQRFBJBXPCPQHA-OAHLLOKOSA-N 0 3 298.390 2.057 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2csc(C)c2)C1 ZINC001033500374 809318354 /nfs/dbraw/zinc/31/83/54/809318354.db2.gz JGHVRPYACDQOBS-AWEZNQCLSA-N 0 3 276.405 2.226 20 30 CEEDHN C=C(C)CN1CCC(N(C)C(=O)c2nccn2CC)CC1 ZINC001005334539 809400797 /nfs/dbraw/zinc/40/07/97/809400797.db2.gz QKAMGKVDZAYCKH-UHFFFAOYSA-N 0 3 290.411 2.016 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCCOCC2)C1 ZINC001033819266 809428419 /nfs/dbraw/zinc/42/84/19/809428419.db2.gz XLVOMDOHALRBJY-CVEARBPZSA-N 0 3 294.439 2.302 20 30 CEEDHN C#Cc1ccc(C(=O)N(CC)[C@H]2CCN(CC(=C)C)C2)nc1 ZINC001034022852 809485439 /nfs/dbraw/zinc/48/54/39/809485439.db2.gz KYINWVPJUSBDIL-INIZCTEOSA-N 0 3 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C=CCN1CCC[C@]2(CCN(C(=O)c3cncs3)C2)C1 ZINC001040101970 811088721 /nfs/dbraw/zinc/08/87/21/811088721.db2.gz SJIRQLHEXHUFEM-HNNXBMFYSA-N 0 3 291.420 2.257 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccoc2C)C1 ZINC001086303610 811097524 /nfs/dbraw/zinc/09/75/24/811097524.db2.gz OFHVZHVORXLYKR-HAQNSBGRSA-N 0 3 282.771 2.439 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@]3(C)C=CCC3)C2)C1 ZINC001040341411 811104877 /nfs/dbraw/zinc/10/48/77/811104877.db2.gz ROBWGSDCJAMJQH-ROUUACIJSA-N 0 3 286.419 2.290 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)CC(C)(F)F)C2)C1 ZINC001040376554 811108629 /nfs/dbraw/zinc/10/86/29/811108629.db2.gz PLHFUOFSNKTBDT-INIZCTEOSA-N 0 3 298.377 2.370 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C3(CF)CCC3)C2)C1 ZINC001040409150 811109495 /nfs/dbraw/zinc/10/94/95/811109495.db2.gz VDNIJNCLMYOKMB-INIZCTEOSA-N 0 3 292.398 2.074 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@H](C)C(C)(F)F)C2)C1 ZINC001040399516 811110838 /nfs/dbraw/zinc/11/08/38/811110838.db2.gz PNMAXZGUTUXYFB-XJKSGUPXSA-N 0 3 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DZGFKOGXDUZAES-MQMHXKEQSA-N 0 3 293.798 2.241 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3cccn3C(C)C)C2)C1 ZINC001041835875 811197229 /nfs/dbraw/zinc/19/72/29/811197229.db2.gz WYVGBJVJIFMKAQ-SFHVURJKSA-N 0 3 299.418 2.240 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001122591193 815428662 /nfs/dbraw/zinc/42/86/62/815428662.db2.gz FQABDNYYPMANQC-PMPSAXMXSA-N 0 3 285.391 2.003 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccco3)C[C@@H]21 ZINC001041905706 811212095 /nfs/dbraw/zinc/21/20/95/811212095.db2.gz VQSKYHSVMRLJSC-STQMWFEESA-N 0 3 260.337 2.002 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(Cl)c[nH]3)C[C@H]21 ZINC001041937495 811218115 /nfs/dbraw/zinc/21/81/15/811218115.db2.gz HNZVGBBNTHRKIR-BXUZGUMPSA-N 0 3 293.798 2.391 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc4occc4[nH]3)C[C@@H]21 ZINC001042084188 811242887 /nfs/dbraw/zinc/24/28/87/811242887.db2.gz PIDVHWMIQUGVBD-WFASDCNBSA-N 0 3 299.374 2.483 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(C4CC4)CC3)C[C@H]21 ZINC001042106445 811244056 /nfs/dbraw/zinc/24/40/56/811244056.db2.gz CWMWMCOXQYJFDR-DZGCQCFKSA-N 0 3 274.408 2.285 20 30 CEEDHN C#CCN1CC[C@@H]2CCN(C(=O)CC3CC(C)(C)C3)C[C@@H]21 ZINC001042203345 811255756 /nfs/dbraw/zinc/25/57/56/811255756.db2.gz MGIJAWZZXNRATP-CVEARBPZSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cccnc3C)C[C@@H]21 ZINC001042206916 811256225 /nfs/dbraw/zinc/25/62/25/811256225.db2.gz NRFCNMZXLWUCHF-ZBFHGGJFSA-N 0 3 285.391 2.112 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3(C)CC=CC3)C[C@@H]21 ZINC001042222261 811259344 /nfs/dbraw/zinc/25/93/44/811259344.db2.gz RABFVXYOIWWZPR-CVEARBPZSA-N 0 3 286.419 2.289 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C(F)F)C[C@@H]21 ZINC001042228800 811259751 /nfs/dbraw/zinc/25/97/51/811259751.db2.gz YUSIDBHRQOUXCO-NEPJUHHUSA-N 0 3 286.366 2.387 20 30 CEEDHN CC[C@@H](C(=O)Nc1ccc(F)c(C#N)c1N)N(CC)CC ZINC001169316946 811477251 /nfs/dbraw/zinc/47/72/51/811477251.db2.gz MYKPDYPPPSTTKS-ZDUSSCGKSA-N 0 3 292.358 2.338 20 30 CEEDHN C/C=C(/C)C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001156344467 811582330 /nfs/dbraw/zinc/58/23/30/811582330.db2.gz ZGRYUIVMFKNFLQ-BASWHVEKSA-N 0 3 289.354 2.259 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2CC=CCC2)CC1 ZINC001045361434 811598734 /nfs/dbraw/zinc/59/87/34/811598734.db2.gz DLVZYAUPHISDRP-CQSZACIVSA-N 0 3 262.397 2.499 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)C2=CCCC2)CC1 ZINC001045406501 811608522 /nfs/dbraw/zinc/60/85/22/811608522.db2.gz CHTJVVRKVXRBMI-UHFFFAOYSA-N 0 3 260.381 2.091 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cc(C)nc(C)c2)CC1 ZINC001045451750 811613405 /nfs/dbraw/zinc/61/34/05/811613405.db2.gz XTBIFRAKLLIDLR-UHFFFAOYSA-N 0 3 287.407 2.469 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cnc3[nH]ccc3c2)CC1 ZINC001045468470 811614373 /nfs/dbraw/zinc/61/43/73/811614373.db2.gz GNSZHDCABSAFAN-UHFFFAOYSA-N 0 3 298.390 2.285 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cn(C(C)C)cn2)CC1 ZINC001045515079 811620883 /nfs/dbraw/zinc/62/08/83/811620883.db2.gz IQLDGTYQJBIUDV-UHFFFAOYSA-N 0 3 290.411 2.234 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cnn(C(F)F)c2)CC1 ZINC001045598918 811630690 /nfs/dbraw/zinc/63/06/90/811630690.db2.gz GBOXJBHOBFODBU-UHFFFAOYSA-N 0 3 298.337 2.049 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001045603504 811632250 /nfs/dbraw/zinc/63/22/50/811632250.db2.gz GEUATBWXILRPQA-UONOGXRCSA-N 0 3 264.413 2.435 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cncc(C)c2)C1 ZINC001046213152 811709275 /nfs/dbraw/zinc/70/92/75/811709275.db2.gz TYOLVOYGEQUAAO-INIZCTEOSA-N 0 3 273.380 2.160 20 30 CEEDHN N=C(N[C@H]1CCCC2(C1)OCCO2)c1ccc(Cl)cn1 ZINC001169909596 811709857 /nfs/dbraw/zinc/70/98/57/811709857.db2.gz IHUKJPGDHVIYAD-NSHDSACASA-N 0 3 295.770 2.126 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)C2C=CC=CC=C2)C1 ZINC001046353720 811741439 /nfs/dbraw/zinc/74/14/39/811741439.db2.gz YMCHQYJEUGTYMO-MRXNPFEDSA-N 0 3 258.365 2.051 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001046549645 811773039 /nfs/dbraw/zinc/77/30/39/811773039.db2.gz IZNPZFFJQPZLMJ-WFASDCNBSA-N 0 3 250.386 2.189 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001046585479 811779292 /nfs/dbraw/zinc/77/92/92/811779292.db2.gz KJFZYBBYMJBCPY-SFHVURJKSA-N 0 3 295.386 2.385 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C2CCC(OC)CC2)C1 ZINC001046582684 811779761 /nfs/dbraw/zinc/77/97/61/811779761.db2.gz GTBOPJZNUNCVJZ-VMBOVVBDSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001046638653 811789764 /nfs/dbraw/zinc/78/97/64/811789764.db2.gz ZFPLIENAGRMTLL-INMHGKMJSA-N 0 3 276.424 2.273 20 30 CEEDHN CC#CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000801133095 811805312 /nfs/dbraw/zinc/80/53/12/811805312.db2.gz JYWUHNCOFZMGOZ-UHFFFAOYSA-N 0 3 270.376 2.053 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@]2(C)CCN(CC=C(C)C)C2)cn1 ZINC001046778193 811815238 /nfs/dbraw/zinc/81/52/38/811815238.db2.gz CKPCYWWJCZNHBH-SFHVURJKSA-N 0 3 297.402 2.223 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)C2CCC=CCC2)C1 ZINC001046842044 811827525 /nfs/dbraw/zinc/82/75/25/811827525.db2.gz OBJQWFHJVRFAQW-KRWDZBQOSA-N 0 3 274.408 2.337 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2c[nH]c3ncccc23)C1 ZINC001046845231 811827776 /nfs/dbraw/zinc/82/77/76/811827776.db2.gz VWPUMCHBADKPCG-QGZVFWFLSA-N 0 3 298.390 2.333 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2cc3n(c2)CCCC3)C1 ZINC001046877647 811834888 /nfs/dbraw/zinc/83/48/88/811834888.db2.gz XOFVHOXJQGNMSR-SFHVURJKSA-N 0 3 299.418 2.042 20 30 CEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)[C@H]3C[C@@H]3C)C2)CC1 ZINC001047248628 811873567 /nfs/dbraw/zinc/87/35/67/811873567.db2.gz NZUVMCJTGFBYEM-XIRDDKMYSA-N 0 3 288.435 2.226 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCOC)CC1)C2 ZINC001109387231 811878058 /nfs/dbraw/zinc/87/80/58/811878058.db2.gz CDYVDXGAGHTCNH-ILXRZTDVSA-N 0 3 292.423 2.101 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc([C@@H]4C[C@@H]4C)o3)C[C@@H]2C1 ZINC001048816122 812030625 /nfs/dbraw/zinc/03/06/25/812030625.db2.gz RRQFHYDZLQPYMA-BYNSBNAKSA-N 0 3 298.386 2.040 20 30 CEEDHN CN1CCC[C@@H]2CN(c3nccc(Cl)c3C#N)C[C@H]21 ZINC001157264321 812060776 /nfs/dbraw/zinc/06/07/76/812060776.db2.gz FDFWDLBOEPIVKO-ZWNOBZJWSA-N 0 3 276.771 2.137 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(C)C ZINC001049293582 812109456 /nfs/dbraw/zinc/10/94/56/812109456.db2.gz UVZGUOKOKRBBIM-LSDHHAIUSA-N 0 3 262.397 2.121 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001049400568 812137744 /nfs/dbraw/zinc/13/77/44/812137744.db2.gz HQSQCZMFJJROFE-JJTUDDRGSA-N 0 3 286.419 2.121 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC(F)(F)C1 ZINC001049408579 812140268 /nfs/dbraw/zinc/14/02/68/812140268.db2.gz WSIGSXYVLLNESD-UONOGXRCSA-N 0 3 296.361 2.120 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(F)c[nH]1 ZINC001049597325 812171408 /nfs/dbraw/zinc/17/14/08/812171408.db2.gz DDQJYIHSODWIJO-KGLIPLIRSA-N 0 3 277.343 2.019 20 30 CEEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC2(CC2)C1 ZINC001049714204 812198355 /nfs/dbraw/zinc/19/83/55/812198355.db2.gz KBYJEGQRPBGMBB-HOTGVXAUSA-N 0 3 286.419 2.265 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C(C)(F)F ZINC001049729378 812200696 /nfs/dbraw/zinc/20/06/96/812200696.db2.gz VKSGFFUPHAHKCU-MGPQQGTHSA-N 0 3 298.377 2.366 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1CC ZINC001049738433 812202452 /nfs/dbraw/zinc/20/24/52/812202452.db2.gz UGIRMGBROSIXNB-APIJFGDWSA-N 0 3 262.397 2.284 20 30 CEEDHN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1ccccc1 ZINC001049858860 812220229 /nfs/dbraw/zinc/22/02/29/812220229.db2.gz QRRITRVPJYAHMX-ROUUACIJSA-N 0 3 296.414 2.318 20 30 CEEDHN C=C(C)CN1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001113438795 812241455 /nfs/dbraw/zinc/24/14/55/812241455.db2.gz HFQHJCYRARQGDL-UHFFFAOYSA-N 0 3 295.471 2.219 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1[C@H]3[C@@H]1[C@@H]1CC[C@H]3C1)C2 ZINC001096639636 812253353 /nfs/dbraw/zinc/25/33/53/812253353.db2.gz GAMUBGZVSVMKHV-DZEWJZRGSA-N 0 3 298.430 2.023 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccs1)C2 ZINC001096737507 812271591 /nfs/dbraw/zinc/27/15/91/812271591.db2.gz JVSDUOGKKZHQGJ-YUELXQCFSA-N 0 3 288.416 2.035 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1[C@@H]3CCC[C@@H]31)C2 ZINC001096928904 812298292 /nfs/dbraw/zinc/29/82/92/812298292.db2.gz OPTXPNQWTLCGLE-RDGWLKQMSA-N 0 3 274.408 2.330 20 30 CEEDHN CC(C)OC(=O)CC[C@H](C)NCc1ccc(C#N)nc1 ZINC001172753068 815525432 /nfs/dbraw/zinc/52/54/32/815525432.db2.gz QRUSMYIBIXHSFE-LBPRGKRZSA-N 0 3 275.352 2.163 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)C2CC3(CC3)C2)CC1 ZINC001052699857 812450886 /nfs/dbraw/zinc/45/08/86/812450886.db2.gz DBMVTPFNKKEFDW-OAHLLOKOSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)Cc2ccc(C)s2)CC1 ZINC001052954443 812478083 /nfs/dbraw/zinc/47/80/83/812478083.db2.gz NVONMAREROYLOS-AWEZNQCLSA-N 0 3 290.432 2.203 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CC)C1 ZINC001053056012 812486087 /nfs/dbraw/zinc/48/60/87/812486087.db2.gz ALJAGNYTKBYWIL-GJZGRUSLSA-N 0 3 262.397 2.123 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@@H]2CCCCN2C(C)=O)C1 ZINC001053061691 812487327 /nfs/dbraw/zinc/48/73/27/812487327.db2.gz UINLGPZXSYRDEQ-CVEARBPZSA-N 0 3 262.397 2.123 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cc(C)co1)C2 ZINC001054180587 812546428 /nfs/dbraw/zinc/54/64/28/812546428.db2.gz ADZKYQYTRWXTBK-QGZVFWFLSA-N 0 3 286.375 2.149 20 30 CEEDHN C=CCOc1ccccc1C(=O)NCCNC/C=C/Cl ZINC001130374139 812562269 /nfs/dbraw/zinc/56/22/69/812562269.db2.gz IYWYCNCIPUHFCX-VMPITWQZSA-N 0 3 294.782 2.323 20 30 CEEDHN C=CCOc1ccccc1C(=O)NCCNC[C@@H](F)CC ZINC001130374492 812562311 /nfs/dbraw/zinc/56/23/11/812562311.db2.gz TUEVYSHOVYGNPC-ZDUSSCGKSA-N 0 3 294.370 2.319 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)C1 ZINC001254661081 812565560 /nfs/dbraw/zinc/56/55/60/812565560.db2.gz OOUFRDRBTFFRTJ-RHYQMDGZSA-N 0 3 294.292 2.406 20 30 CEEDHN CC#CCNCCNC(=O)c1cn(CC)c2ccccc12 ZINC001131058037 812632516 /nfs/dbraw/zinc/63/25/16/812632516.db2.gz JHSPJYVMJRIRQQ-UHFFFAOYSA-N 0 3 283.375 2.004 20 30 CEEDHN C[C@H](Nc1nc2ccccc2cc1CC#N)[C@H]1CNCCO1 ZINC001170571567 812689772 /nfs/dbraw/zinc/68/97/72/812689772.db2.gz PTOVOOWQURUIGB-BLLLJJGKSA-N 0 3 296.374 2.090 20 30 CEEDHN C[C@H](Nc1cccc2[nH]cc(CC#N)c21)[C@@H]1CNCCO1 ZINC001170573389 812696218 /nfs/dbraw/zinc/69/62/18/812696218.db2.gz RPEXIOIMSZQMPS-NHYWBVRUSA-N 0 3 284.363 2.023 20 30 CEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCCF)C[C@H](C)O2 ZINC001131677352 812705178 /nfs/dbraw/zinc/70/51/78/812705178.db2.gz LUXFIPDLWCJDEW-HOCLYGCPSA-N 0 3 298.402 2.004 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)/C(C)=C\CC)CC[C@H]1C ZINC001131918215 812755442 /nfs/dbraw/zinc/75/54/42/812755442.db2.gz QMONGHBGAUYHJM-CDWBCPPQSA-N 0 3 262.397 2.335 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CCC2CC2)CC[C@@H]1C ZINC001131922240 812757040 /nfs/dbraw/zinc/75/70/40/812757040.db2.gz HBTPFBRPBRBNRM-GXTWGEPZSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCOCCCC(=O)N[C@@H]1CC[C@H](C)N(CC=C)C1 ZINC001131938214 812759305 /nfs/dbraw/zinc/75/93/05/812759305.db2.gz FPFXPKZJNCFKOC-LSDHHAIUSA-N 0 3 280.412 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/nfs/dbraw/zinc/74/65/57/816746557.db2.gz RVNPARJCJCCAIC-CYBMUJFWSA-N 0 3 285.372 2.337 20 30 CEEDHN C=CCCOCCCCC(=O)N1C[C@@H](CC)N[C@@H](C)C1 ZINC000620899474 349456463 /nfs/dbraw/zinc/45/64/63/349456463.db2.gz IJEKZGBQQZTOTF-LSDHHAIUSA-N 0 3 282.428 2.348 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1COCC[C@H]1O ZINC000601306251 346815927 /nfs/dbraw/zinc/81/59/27/346815927.db2.gz DWXJSOXDTUXSAK-BRWVUGGUSA-N 0 3 286.375 2.065 20 30 CEEDHN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)C(C)C#N)C1 ZINC000336344642 365560375 /nfs/dbraw/zinc/56/03/75/365560375.db2.gz TZRICLKZLSGLTL-GXTWGEPZSA-N 0 3 289.354 2.379 20 30 CEEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCCN1CC ZINC000121461142 365571881 /nfs/dbraw/zinc/57/18/81/365571881.db2.gz PXZKNXJFHIDTAZ-AWEZNQCLSA-N 0 3 250.386 2.355 20 30 CEEDHN N#Cc1ccc([N+](=O)[O-])c(NCCN2CCCCC2)c1 ZINC000124772808 187153376 /nfs/dbraw/zinc/15/33/76/187153376.db2.gz OILPGYKGBJROAD-UHFFFAOYSA-N 0 3 274.324 2.364 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](c2cccc(C)c2)C1 ZINC000273074783 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CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CCCCO1 ZINC000329508358 539240699 /nfs/dbraw/zinc/24/06/99/539240699.db2.gz XBWSXCYTHJWVDU-KFWWJZLASA-N 0 3 297.443 2.322 20 30 CEEDHN CCN(CC)CC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000042122852 362060442 /nfs/dbraw/zinc/06/04/42/362060442.db2.gz LCOGBGVDOPAUKL-GFCCVEGCSA-N 0 3 259.353 2.077 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(CC(C)C)CC1 ZINC000042508362 362099662 /nfs/dbraw/zinc/09/96/62/362099662.db2.gz KHZQQOZWSAVKSQ-MRXNPFEDSA-N 0 3 295.471 2.073 20 30 CEEDHN CCc1nc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)co1 ZINC000330078141 529704799 /nfs/dbraw/zinc/70/47/99/529704799.db2.gz HWKZXGOQHRXMOE-MWLCHTKSSA-N 0 3 263.341 2.024 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CCC[C@H]2CCCC[C@@H]21)C1CC1 ZINC000007587768 343359164 /nfs/dbraw/zinc/35/91/64/343359164.db2.gz FIGBNFXAISPBBV-UKPHBRMFSA-N 0 3 289.423 2.449 20 30 CEEDHN N#CC(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000046439648 362182277 /nfs/dbraw/zinc/18/22/77/362182277.db2.gz DVPLBTDOONGDHI-GFCCVEGCSA-N 0 3 267.244 2.480 20 30 CEEDHN CN(CCCCC#N)C[C@H]1COc2ccccc2O1 ZINC000034148059 343419106 /nfs/dbraw/zinc/41/91/06/343419106.db2.gz ONBRCVYMKOAXSL-ZDUSSCGKSA-N 0 3 260.337 2.452 20 30 CEEDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1nccs1 ZINC000330271229 290055528 /nfs/dbraw/zinc/05/55/28/290055528.db2.gz VPHYOPIEVJSQFU-INTQDDNPSA-N 0 3 281.381 2.277 20 30 CEEDHN C[C@H]1C[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047010854 343509601 /nfs/dbraw/zinc/50/96/01/343509601.db2.gz OQCRMAFSAJJQKH-BBRMVZONSA-N 0 3 285.391 2.104 20 30 CEEDHN Cc1ncc([C@H](C)NC[C@H](O)CC(C)(C)C#N)s1 ZINC000601966524 346945318 /nfs/dbraw/zinc/94/53/18/346945318.db2.gz CAZNYHVAKPODEK-GXSJLCMTSA-N 0 3 267.398 2.403 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc(C)c2)CC1 ZINC000050024129 343541212 /nfs/dbraw/zinc/54/12/12/343541212.db2.gz MASOZSKPZMCOEC-UHFFFAOYSA-N 0 3 256.349 2.279 20 30 CEEDHN Cc1cc(NC(=O)CCN(C)Cc2ccc(C#N)cc2)no1 ZINC000046527300 343501489 /nfs/dbraw/zinc/50/14/89/343501489.db2.gz MHZGSONTSXYSSO-UHFFFAOYSA-N 0 3 298.346 2.315 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000126812758 187263807 /nfs/dbraw/zinc/26/38/07/187263807.db2.gz FKVDHYWEOGARKO-CABCVRRESA-N 0 3 283.375 2.175 20 30 CEEDHN C=CCCSCCNCc1ccc(C(=O)OC)n1C ZINC000602029391 346964074 /nfs/dbraw/zinc/96/40/74/346964074.db2.gz VXIVYYCZIULJLE-UHFFFAOYSA-N 0 3 282.409 2.211 20 30 CEEDHN CC1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000072702235 343809499 /nfs/dbraw/zinc/80/94/99/343809499.db2.gz YNCVBVQMPKFWLL-INIZCTEOSA-N 0 3 288.391 2.224 20 30 CEEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(C)(C)C#N)C1 ZINC000081125367 344040383 /nfs/dbraw/zinc/04/03/83/344040383.db2.gz CFZZLSQVKDPAGJ-OAHLLOKOSA-N 0 3 285.391 2.269 20 30 CEEDHN C[C@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1C ZINC000076111677 343881340 /nfs/dbraw/zinc/88/13/40/343881340.db2.gz WHBCTVSJQWYZKK-OKILXGFUSA-N 0 3 277.412 2.259 20 30 CEEDHN C=CCOc1ccc(CN2CCC(CO)CC2)cc1OC ZINC000127074171 187280475 /nfs/dbraw/zinc/28/04/75/187280475.db2.gz GNNMWXOBAVIKRR-UHFFFAOYSA-N 0 3 291.391 2.464 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000081570967 344058379 /nfs/dbraw/zinc/05/83/79/344058379.db2.gz OXJBHRULMWKEDC-CYBMUJFWSA-N 0 3 276.380 2.400 20 30 CEEDHN CC(C)[C@@H]1CCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000049077546 362333033 /nfs/dbraw/zinc/33/30/33/362333033.db2.gz COOPUKLNMASOLQ-ZFWWWQNUSA-N 0 3 265.401 2.161 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000091515326 344166410 /nfs/dbraw/zinc/16/64/10/344166410.db2.gz MUEZXQFMIWXYQF-CABCVRRESA-N 0 3 293.455 2.016 20 30 CEEDHN C=CCCC[C@H](C)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000091627326 344169123 /nfs/dbraw/zinc/16/91/23/344169123.db2.gz NVVSWMOLDDVKKL-KBPBESRZSA-N 0 3 288.457 2.133 20 30 CEEDHN C[C@@H](CC#N)N(C)Cc1ccc(OCCN(C)C)cc1 ZINC000093090475 344214211 /nfs/dbraw/zinc/21/42/11/344214211.db2.gz VSCQOMNEQWHMHY-AWEZNQCLSA-N 0 3 275.396 2.361 20 30 CEEDHN N#C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000108832744 344266389 /nfs/dbraw/zinc/26/63/89/344266389.db2.gz XWTMITOEDIFYNE-MRXNPFEDSA-N 0 3 283.375 2.314 20 30 CEEDHN C=CCOc1ccc(CNCC[C@H](C)O)cc1OC ZINC000114771009 344281105 /nfs/dbraw/zinc/28/11/05/344281105.db2.gz WNBFUYROHLNSGZ-LBPRGKRZSA-N 0 3 265.353 2.121 20 30 CEEDHN N#Cc1cc(N[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000127805304 344332360 /nfs/dbraw/zinc/33/23/60/344332360.db2.gz ZJFTUMSMXLKFDN-LBPRGKRZSA-N 0 3 272.308 2.115 20 30 CEEDHN COC[C@@H]1CCCN1Cc1ccc(C#N)cc1OC ZINC000121141523 344301490 /nfs/dbraw/zinc/30/14/90/344301490.db2.gz YMBFDQPABLRURW-AWEZNQCLSA-N 0 3 260.337 2.178 20 30 CEEDHN CCOC(=O)[C@@H]1CC[C@@H](NCC2(C#N)CC2)C[C@H]1C ZINC000573661725 334955622 /nfs/dbraw/zinc/95/56/22/334955622.db2.gz DFWZUBXBISCNPT-JHJVBQTASA-N 0 3 264.369 2.248 20 30 CEEDHN CC(C)[C@H](C)CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000163098282 344470042 /nfs/dbraw/zinc/47/00/42/344470042.db2.gz SIWCYVLXIRFNNX-CYBMUJFWSA-N 0 3 294.420 2.214 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](CCO)C1 ZINC000166233616 344476011 /nfs/dbraw/zinc/47/60/11/344476011.db2.gz CGICYIDNSSVFSR-CQSZACIVSA-N 0 3 258.365 2.461 20 30 CEEDHN CC(=O)NCC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000230226129 344571570 /nfs/dbraw/zinc/57/15/70/344571570.db2.gz ATHSTTXKXKAABT-UHFFFAOYSA-N 0 3 285.391 2.215 20 30 CEEDHN CCN1CCN(Cc2cc(F)ccc2C#N)C[C@@H]1C ZINC000229385523 344567128 /nfs/dbraw/zinc/56/71/28/344567128.db2.gz MRRGETOMVUSMBX-LBPRGKRZSA-N 0 3 261.344 2.223 20 30 CEEDHN C[C@@H](CCC#N)CNc1cc(C(N)=O)ccc1CN(C)C ZINC000602496190 347057996 /nfs/dbraw/zinc/05/79/96/347057996.db2.gz BZBCDYAZCABBFS-LBPRGKRZSA-N 0 3 288.395 2.199 20 30 CEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1sccc1C#N ZINC000052050314 362463303 /nfs/dbraw/zinc/46/33/03/362463303.db2.gz KGYHLGHUICYOOA-VXGBXAGGSA-N 0 3 291.420 2.470 20 30 CEEDHN COc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cn1 ZINC000602509699 347061799 /nfs/dbraw/zinc/06/17/99/347061799.db2.gz IANRFHNRCMLRJW-ZDUSSCGKSA-N 0 3 289.379 2.279 20 30 CEEDHN N#Cc1cc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)ccn1 ZINC000253095451 344642838 /nfs/dbraw/zinc/64/28/38/344642838.db2.gz 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/nfs/dbraw/zinc/77/53/70/344775370.db2.gz XCVYVVAGLIJZFX-AWEZNQCLSA-N 0 3 277.412 2.449 20 30 CEEDHN CN1CCCN(Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000411149622 530054122 /nfs/dbraw/zinc/05/41/22/530054122.db2.gz RVGPZBBTCLQRER-UHFFFAOYSA-N 0 3 295.333 2.297 20 30 CEEDHN N#Cc1cccc(CNCC[C@@H]2COc3ccccc3O2)n1 ZINC000602571653 347083119 /nfs/dbraw/zinc/08/31/19/347083119.db2.gz BDWSNLZDNBYNPT-OAHLLOKOSA-N 0 3 295.342 2.273 20 30 CEEDHN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1CC#N ZINC000404420669 344879789 /nfs/dbraw/zinc/87/97/89/344879789.db2.gz IMGNKHUSGHTTAY-RRFJBIMHSA-N 0 3 257.381 2.493 20 30 CEEDHN C=C(CC)CNC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000418253948 344893366 /nfs/dbraw/zinc/89/33/66/344893366.db2.gz AWDFGDBARZIFHX-LSDHHAIUSA-N 0 3 273.380 2.089 20 30 CEEDHN C=C(CC)CNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000418253415 344893390 /nfs/dbraw/zinc/89/33/90/344893390.db2.gz AECOSORTJGYVON-OAHLLOKOSA-N 0 3 273.380 2.139 20 30 CEEDHN C#C[C@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)c1ccc(F)cc1 ZINC000491621049 344912814 /nfs/dbraw/zinc/91/28/14/344912814.db2.gz GLQVFYDKYRILIM-XEZPLFJOSA-N 0 3 288.366 2.489 20 30 CEEDHN C[C@@H](NCc1ccc(C#N)cc1F)C(C)(C)n1cncn1 ZINC000585726022 345012072 /nfs/dbraw/zinc/01/20/72/345012072.db2.gz PPZPATRUVQZBOL-LLVKDONJSA-N 0 3 287.342 2.202 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)CCCCCC#N ZINC000588295250 345045672 /nfs/dbraw/zinc/04/56/72/345045672.db2.gz QTUHOTBKAVVVAK-CQSZACIVSA-N 0 3 265.401 2.451 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)CCCCCC#N)CN1C1CC1 ZINC000588639547 345048573 /nfs/dbraw/zinc/04/85/73/345048573.db2.gz LUPYUUZKCWAAPM-CHWSQXEVSA-N 0 3 263.385 2.202 20 30 CEEDHN C[C@@H](C#N)CN[C@H]1CCCN(Cc2ccccc2)C1 ZINC000054180509 362517120 /nfs/dbraw/zinc/51/71/20/362517120.db2.gz GMJLSUSSWOBMBL-HOCLYGCPSA-N 0 3 257.381 2.400 20 30 CEEDHN C[C@@H](NC(=O)CCCCCC#N)C1=CCN(C)CC1 ZINC000588758310 345054556 /nfs/dbraw/zinc/05/45/56/345054556.db2.gz VJFQCKYWFFBQCO-CYBMUJFWSA-N 0 3 263.385 2.227 20 30 CEEDHN COC(=O)C[C@@](C)(NCCCCC#N)c1ccncc1 ZINC000589163149 345067935 /nfs/dbraw/zinc/06/79/35/345067935.db2.gz BATMRZCOUHXRFW-OAHLLOKOSA-N 0 3 275.352 2.143 20 30 CEEDHN CC1CCC(N2CCN(C(=O)CC3(C#N)CC3)CC2)CC1 ZINC000590254618 345123159 /nfs/dbraw/zinc/12/31/59/345123159.db2.gz DKIANLLBZALZTN-UHFFFAOYSA-N 0 3 289.423 2.403 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3nnc4n3CCC4)CC2)C1 ZINC000590157748 345118673 /nfs/dbraw/zinc/11/86/73/345118673.db2.gz HOIWKORUXBKSTH-TZMCWYRMSA-N 0 3 285.395 2.096 20 30 CEEDHN CC#CCN(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590210111 345121525 /nfs/dbraw/zinc/12/15/25/345121525.db2.gz GIAFKFLVSVMULD-UHFFFAOYSA-N 0 3 262.309 2.319 20 30 CEEDHN C[C@H](CCC#N)CN[C@]1(CO)CCOc2ccccc21 ZINC000589820932 345100030 /nfs/dbraw/zinc/10/00/30/345100030.db2.gz HRQJZEWUCXARSK-CJNGLKHVSA-N 0 3 274.364 2.186 20 30 CEEDHN CC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)C(=O)NC ZINC000590780353 345180320 /nfs/dbraw/zinc/18/03/20/345180320.db2.gz TUUXTJFUNDYOQH-CABCVRRESA-N 0 3 271.364 2.050 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)CC2(C#N)CC2)CN1Cc1ccccc1 ZINC000590299042 345125601 /nfs/dbraw/zinc/12/56/01/345125601.db2.gz ZQVJEXAZRXDPJB-HOCLYGCPSA-N 0 3 297.402 2.459 20 30 CEEDHN C[C@H](C(=O)NCC1(C#N)CCC1)N1CCCCCC1 ZINC000591323084 345240537 /nfs/dbraw/zinc/24/05/37/345240537.db2.gz QQNNGDDFDZAUST-CYBMUJFWSA-N 0 3 263.385 2.061 20 30 CEEDHN C[C@@]1(O)C[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000591348698 345241935 /nfs/dbraw/zinc/24/19/35/345241935.db2.gz MSOVQJPDTMKTTI-BMFZPTHFSA-N 0 3 256.349 2.439 20 30 CEEDHN CC(C)C[C@@H](C#N)NC(=O)C1CN(C2CCCCC2)C1 ZINC000590904718 345197375 /nfs/dbraw/zinc/19/73/75/345197375.db2.gz OWMSRYPEANNYPN-AWEZNQCLSA-N 0 3 277.412 2.305 20 30 CEEDHN CC1(C)CN(CCC2(C#N)CCCCC2)CCN1CCO ZINC000591031484 345213376 /nfs/dbraw/zinc/21/33/76/345213376.db2.gz JBSHXYHEKSTFIS-UHFFFAOYSA-N 0 3 293.455 2.239 20 30 CEEDHN N#CC1(CCN2CC[C@@H](n3cncn3)C2)CCCCC1 ZINC000591030158 345213978 /nfs/dbraw/zinc/21/39/78/345213978.db2.gz QJZHYHXBSUDSDR-CQSZACIVSA-N 0 3 273.384 2.389 20 30 CEEDHN COCC#CCN1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000591055930 345215193 /nfs/dbraw/zinc/21/51/93/345215193.db2.gz ICAUSWLSCSVPKB-HNNXBMFYSA-N 0 3 295.423 2.470 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2ccco2)cc1F ZINC000591501523 345261674 /nfs/dbraw/zinc/26/16/74/345261674.db2.gz JLOAPYWNLBJBGE-ZDUSSCGKSA-N 0 3 288.322 2.231 20 30 CEEDHN CCOC(=O)C1CCC(NC[C@H](C#N)CCC#N)CC1 ZINC000591727537 345276186 /nfs/dbraw/zinc/27/61/86/345276186.db2.gz HKPYABLBACMGAT-HSBZDZAISA-N 0 3 277.368 2.141 20 30 CEEDHN N#CCC[C@@H](C#N)CN[C@@H]1CCc2cc(O)ccc2C1 ZINC000591763555 345278188 /nfs/dbraw/zinc/27/81/88/345278188.db2.gz DUJKWTXUOGVUSI-SWLSCSKDSA-N 0 3 269.348 2.283 20 30 CEEDHN CC(C)(CC#N)CNCc1ccnn1-c1ccccn1 ZINC000592368412 345347068 /nfs/dbraw/zinc/34/70/68/345347068.db2.gz GMCUKAUCJBBACT-UHFFFAOYSA-N 0 3 269.352 2.297 20 30 CEEDHN CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)C(=O)NCc1cccs1 ZINC000592393948 345349352 /nfs/dbraw/zinc/34/93/52/345349352.db2.gz LROLNJYZEIQFRQ-BZPMIXESSA-N 0 3 291.420 2.425 20 30 CEEDHN C=CCN1CCC(NC(=O)N(CC)Cc2ccoc2)CC1 ZINC000592524165 345366176 /nfs/dbraw/zinc/36/61/76/345366176.db2.gz OXFLCMUAEUFKQC-UHFFFAOYSA-N 0 3 291.395 2.462 20 30 CEEDHN N#CC[C@]1(O)CCN(CCCOc2ccc(Cl)cc2)C1 ZINC000592148702 345329741 /nfs/dbraw/zinc/32/97/41/345329741.db2.gz ZNLURLAHLYHRNF-HNNXBMFYSA-N 0 3 294.782 2.459 20 30 CEEDHN Cc1cccc(C)c1OCCCN1CC[C@](O)(CC#N)C1 ZINC000592152228 345330866 /nfs/dbraw/zinc/33/08/66/345330866.db2.gz WEHAYGMDRVUJDJ-QGZVFWFLSA-N 0 3 288.391 2.423 20 30 CEEDHN N#Cc1ccc(CNC2(CO)CCCCC2)c([N+](=O)[O-])c1 ZINC000593023490 345425158 /nfs/dbraw/zinc/42/51/58/345425158.db2.gz WEZRQALYWPVRKX-UHFFFAOYSA-N 0 3 289.335 2.251 20 30 CEEDHN Cc1ccc(N(C)CCN2CCCCC2)nc1C#N ZINC000593515159 345501657 /nfs/dbraw/zinc/50/16/57/345501657.db2.gz CQIZGFHWGJZGIS-UHFFFAOYSA-N 0 3 258.369 2.184 20 30 CEEDHN CC[C@H](C#N)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000593422508 345482068 /nfs/dbraw/zinc/48/20/68/345482068.db2.gz NIHAZIRDEHHHQO-HIFRSBDPSA-N 0 3 273.380 2.264 20 30 CEEDHN CC[C@@H](C#N)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000593704774 345524851 /nfs/dbraw/zinc/52/48/51/345524851.db2.gz TUHCTFNSGPTTLA-ZDUSSCGKSA-N 0 3 277.368 2.110 20 30 CEEDHN CC[C@H](C#N)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000593744370 345531439 /nfs/dbraw/zinc/53/14/39/345531439.db2.gz QRMSDADALVHLFU-LLVKDONJSA-N 0 3 263.316 2.376 20 30 CEEDHN CC(C)C[C@@H](N)c1noc([C@@H](N)CCCCC#N)n1 ZINC000593944207 345554427 /nfs/dbraw/zinc/55/44/27/345554427.db2.gz UENKBGHFZJGBCN-WDEREUQCSA-N 0 3 265.361 2.199 20 30 CEEDHN COC(=O)[C@]12CN(Cc3ccc(C#N)cn3)C[C@H]1CCCC2 ZINC000594018454 345568138 /nfs/dbraw/zinc/56/81/38/345568138.db2.gz MNXKAVADQLDAOY-RHSMWYFYSA-N 0 3 299.374 2.118 20 30 CEEDHN CC(C)OC(=O)C[C@@H](NCc1ccnc(C#N)c1)C(C)C ZINC000594047816 345573088 /nfs/dbraw/zinc/57/30/88/345573088.db2.gz ZTXZDCKSJMGVPJ-OAHLLOKOSA-N 0 3 289.379 2.409 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC1=CCN(C)CC1 ZINC000594336448 345612944 /nfs/dbraw/zinc/61/29/44/345612944.db2.gz KCLJJQALMGMRTN-AWEZNQCLSA-N 0 3 297.402 2.115 20 30 CEEDHN COc1ccc(NC(=O)[C@@H](N)CCCCC#N)c(OC)c1 ZINC000594424359 345625151 /nfs/dbraw/zinc/62/51/51/345625151.db2.gz BNRJIVVSXMSVNP-LBPRGKRZSA-N 0 3 291.351 2.054 20 30 CEEDHN COCc1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594428082 345627278 /nfs/dbraw/zinc/62/72/78/345627278.db2.gz LBOSEZANYHJKQJ-CQSZACIVSA-N 0 3 275.352 2.183 20 30 CEEDHN CCCCc1nnc(NC(=O)[C@H](N)CCCCC#N)s1 ZINC000594427484 345627501 /nfs/dbraw/zinc/62/75/01/345627501.db2.gz UWJGMZORQVJHKA-SNVBAGLBSA-N 0 3 295.412 2.230 20 30 CEEDHN CCc1nc(NC(=O)[C@H](N)CCCCC#N)sc1C ZINC000594430016 345627978 /nfs/dbraw/zinc/62/79/78/345627978.db2.gz ZFDCJANOEXDNGO-SNVBAGLBSA-N 0 3 280.397 2.364 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(OCCF)c1 ZINC000594434191 345629134 /nfs/dbraw/zinc/62/91/34/345629134.db2.gz XQUXFGUQWYBRLY-AWEZNQCLSA-N 0 3 293.342 2.385 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(OCCF)c1 ZINC000594434192 345629335 /nfs/dbraw/zinc/62/93/35/345629335.db2.gz XQUXFGUQWYBRLY-CQSZACIVSA-N 0 3 293.342 2.385 20 30 CEEDHN C[C@H]1CN(C(=O)[C@@H](N)CCCCC#N)c2ccccc2O1 ZINC000594433128 345629344 /nfs/dbraw/zinc/62/93/44/345629344.db2.gz CBESNTWFKYXDIU-STQMWFEESA-N 0 3 287.363 2.212 20 30 CEEDHN C[C@H](CNC(=O)[C@@H](N)CCCCC#N)Cc1cccs1 ZINC000594433909 345629360 /nfs/dbraw/zinc/62/93/60/345629360.db2.gz URBMWAYEOGYTLR-JSGCOSHPSA-N 0 3 293.436 2.454 20 30 CEEDHN CC(C)n1cc([C@H](C)NC(=O)[C@@H](N)CCCCC#N)cn1 ZINC000594434312 345629431 /nfs/dbraw/zinc/62/94/31/345629431.db2.gz NGUWKLYPZNPVNW-JSGCOSHPSA-N 0 3 291.399 2.052 20 30 CEEDHN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594433881 345629458 /nfs/dbraw/zinc/62/94/58/345629458.db2.gz IOALBAOJZARAAE-KCXAZCMYSA-N 0 3 285.391 2.447 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CSc2ccccc21 ZINC000594434798 345630016 /nfs/dbraw/zinc/63/00/16/345630016.db2.gz TWMZBVSSKALFLE-OLZOCXBDSA-N 0 3 289.404 2.361 20 30 CEEDHN C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)CCCCC#N ZINC000594434471 345630088 /nfs/dbraw/zinc/63/00/88/345630088.db2.gz ZOGYHPHSMVRKRL-CJNGLKHVSA-N 0 3 285.391 2.371 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCc2cc(F)ccc2C1 ZINC000594438237 345630300 /nfs/dbraw/zinc/63/03/00/345630300.db2.gz RUXWABDSDJLNIV-HNNXBMFYSA-N 0 3 289.354 2.122 20 30 CEEDHN C[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594438318 345630862 /nfs/dbraw/zinc/63/08/62/345630862.db2.gz SUDCFXAQWSHBCD-MCIONIFRSA-N 0 3 265.401 2.483 20 30 CEEDHN Cc1cc2c[nH]nc2cc1NC(=O)[C@@H](N)CCCCC#N ZINC000594440158 345631529 /nfs/dbraw/zinc/63/15/29/345631529.db2.gz VDODQUQEXGXMDG-LBPRGKRZSA-N 0 3 285.351 2.221 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000594450076 345633822 /nfs/dbraw/zinc/63/38/22/345633822.db2.gz SZATVOTUKZYHCA-DZKIICNBSA-N 0 3 289.354 2.151 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000594449286 345634088 /nfs/dbraw/zinc/63/40/88/345634088.db2.gz FBWOPGSUAFLJQW-PFSRBDOWSA-N 0 3 277.412 2.340 20 30 CEEDHN Cc1ccc(N[C@@H]2CCCN3CCCC[C@H]23)nc1C#N ZINC000594600528 345657080 /nfs/dbraw/zinc/65/70/80/345657080.db2.gz LXKDECCYNRNKSR-UKRRQHHQSA-N 0 3 270.380 2.112 20 30 CEEDHN CC(C)(C)[C@@H](N)c1cn(-c2ccccc2C#N)nn1 ZINC000594652533 345667166 /nfs/dbraw/zinc/66/71/66/345667166.db2.gz SLZKHJYHMXKJBN-ZDUSSCGKSA-N 0 3 255.325 2.185 20 30 CEEDHN N#Cc1cccc(N[C@@H]2CCCN3CCCC[C@@H]23)n1 ZINC000594600577 345657007 /nfs/dbraw/zinc/65/70/07/345657007.db2.gz MGLCKEKGPAGJSK-KGLIPLIRSA-N 0 3 256.353 2.382 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H]1CCC(=O)N1 ZINC000595088403 345740995 /nfs/dbraw/zinc/74/09/95/345740995.db2.gz BRKZPNPJVTZZNL-HOCLYGCPSA-N 0 3 283.375 2.194 20 30 CEEDHN CC1(C)NC(=O)CC[C@@H]1NCC1(C#N)CCCCC1 ZINC000595090616 345741355 /nfs/dbraw/zinc/74/13/55/345741355.db2.gz JBRCWTDDNMPGRS-LBPRGKRZSA-N 0 3 263.385 2.107 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC1CCC2(CC2(F)F)CC1 ZINC000595257982 345750395 /nfs/dbraw/zinc/75/03/95/345750395.db2.gz GDRFUIRZCOVYSU-MBHSVXNSSA-N 0 3 299.365 2.482 20 30 CEEDHN CCCC(=O)NC1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595290922 345755124 /nfs/dbraw/zinc/75/51/24/345755124.db2.gz NTKWPJHTQFYWNM-UHFFFAOYSA-N 0 3 299.418 2.481 20 30 CEEDHN CNC(=O)[C@H](CC(C)C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594937592 345709545 /nfs/dbraw/zinc/70/95/45/345709545.db2.gz ODWOWUMBVILTHZ-INIZCTEOSA-N 0 3 299.418 2.492 20 30 CEEDHN N#Cc1ccc(CNCCO[C@H]2CC2(F)F)cc1 ZINC000594970483 345719792 /nfs/dbraw/zinc/71/97/92/345719792.db2.gz HVOBFLDQIPFYLV-LBPRGKRZSA-N 0 3 252.264 2.072 20 30 CEEDHN COc1ccc(CNC/C=C/CO)cc1OCCCC#N ZINC000594974897 345720935 /nfs/dbraw/zinc/72/09/35/345720935.db2.gz MZTIMYWDKVWSPR-ONEGZZNKSA-N 0 3 290.363 2.016 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2cnc(C(F)(F)F)nc2)C1 ZINC000595060756 345737528 /nfs/dbraw/zinc/73/75/28/345737528.db2.gz OXKLNHFSUIQROC-WCBMZHEXSA-N 0 3 270.258 2.277 20 30 CEEDHN COC[C@@H](CNC1(c2ccc(C#N)cc2)CCC1)OC ZINC000595562838 345814739 /nfs/dbraw/zinc/81/47/39/345814739.db2.gz RJLSEOFCVGFXEM-OAHLLOKOSA-N 0 3 274.364 2.188 20 30 CEEDHN CC(C)[C@H](NCCC(C)(C)C#N)[C@H](O)C(F)(F)F ZINC000595481130 345793451 /nfs/dbraw/zinc/79/34/51/345793451.db2.gz DFFXWWLLCYXWMS-UWVGGRQHSA-N 0 3 266.307 2.464 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@]2(C)COC[C@]2(C)C1 ZINC000595687843 345848927 /nfs/dbraw/zinc/84/89/27/345848927.db2.gz CXZZJRNCHBRXJW-CALCHBBNSA-N 0 3 286.375 2.425 20 30 CEEDHN C[C@H]1CCCN(CCOc2ccccc2C#N)[C@H]1CCO ZINC000595691398 345850101 /nfs/dbraw/zinc/85/01/01/345850101.db2.gz APGZZWCIAZGGJI-HOCLYGCPSA-N 0 3 288.391 2.420 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)N2CCC(CC#N)CC2)C1 ZINC000595696765 345852321 /nfs/dbraw/zinc/85/23/21/345852321.db2.gz DBHWOXUAKLLKOM-AWEZNQCLSA-N 0 3 292.427 2.194 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595743500 345864285 /nfs/dbraw/zinc/86/42/85/345864285.db2.gz MZSVAHXDQSLAMV-VXGBXAGGSA-N 0 3 274.364 2.016 20 30 CEEDHN N#CC[C@H]1CCCN(C[C@H](O)COCc2cccs2)C1 ZINC000595609999 345825918 /nfs/dbraw/zinc/82/59/18/345825918.db2.gz RKLPPYXEYAWEJR-KGLIPLIRSA-N 0 3 294.420 2.251 20 30 CEEDHN COC[C@H](NCc1ccc(F)c(C#N)c1)C1CCOCC1 ZINC000595617578 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ZINC000596053330 345928938 /nfs/dbraw/zinc/92/89/38/345928938.db2.gz DRRMONFGNVSNTI-AWEZNQCLSA-N 0 3 287.342 2.146 20 30 CEEDHN N#CC1(CNC(=O)[C@@H]2CNCc3ccccc32)CCCCC1 ZINC000595942190 345916130 /nfs/dbraw/zinc/91/61/30/345916130.db2.gz BJKKWNOQAYXTCB-MRXNPFEDSA-N 0 3 297.402 2.464 20 30 CEEDHN CCC[C@@](C)(N)C(=O)NCC1(C#N)CCCCC1 ZINC000595944992 345916754 /nfs/dbraw/zinc/91/67/54/345916754.db2.gz ZEFITSQUCKFREP-CYBMUJFWSA-N 0 3 251.374 2.094 20 30 CEEDHN CC(C)(C(=O)N1CC[C@@](C)(C#N)C1)[C@@H](N)c1ccccc1 ZINC000595979497 345920422 /nfs/dbraw/zinc/92/04/22/345920422.db2.gz ANJWRABCLPQHMU-YOEHRIQHSA-N 0 3 285.391 2.475 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1nc2ncccc2cc1C#N ZINC000596152758 345953300 /nfs/dbraw/zinc/95/33/00/345953300.db2.gz RDVMJFJQFGYGHX-IUODEOHRSA-N 0 3 295.390 2.278 20 30 CEEDHN CC(C)[N@H+](C)CCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596075991 345934174 /nfs/dbraw/zinc/93/41/74/345934174.db2.gz MHYBRAWTWOEVEV-UHFFFAOYSA-N 0 3 272.805 2.232 20 30 CEEDHN CC(C)[N@@H+](C)CCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596075991 345934176 /nfs/dbraw/zinc/93/41/76/345934176.db2.gz MHYBRAWTWOEVEV-UHFFFAOYSA-N 0 3 272.805 2.232 20 30 CEEDHN N#Cc1ccc2nc(N[C@@H]3CCN(C4CC4)C3)ccc2c1 ZINC000596091352 345937886 /nfs/dbraw/zinc/93/78/86/345937886.db2.gz ISKYGDMDBUNOEJ-CQSZACIVSA-N 0 3 278.359 2.177 20 30 CEEDHN CC(C)[C@H]1CN(c2nc3ncccc3cc2C#N)CCN1C ZINC000596207277 345969532 /nfs/dbraw/zinc/96/95/32/345969532.db2.gz QJDLKMDYVMSHPM-OAHLLOKOSA-N 0 3 295.390 2.278 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000596679380 346076442 /nfs/dbraw/zinc/07/64/42/346076442.db2.gz JYJQQEZRWKKLCQ-LBPRGKRZSA-N 0 3 280.416 2.050 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)C1 ZINC000596786310 346089884 /nfs/dbraw/zinc/08/98/84/346089884.db2.gz ZZYRIFVIOZEHCE-CYBMUJFWSA-N 0 3 290.342 2.303 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)Nc2cccc(C#N)c2C)C1 ZINC000596800770 346091381 /nfs/dbraw/zinc/09/13/81/346091381.db2.gz MZEOUKJTXWFLTF-CQSZACIVSA-N 0 3 286.379 2.473 20 30 CEEDHN CCN(C(=O)NCC1CCC(C#N)CC1)[C@@H]1CCN(C)C1 ZINC000596596287 346062683 /nfs/dbraw/zinc/06/26/83/346062683.db2.gz MNGKMMJSAYJIMU-YMAMQOFZSA-N 0 3 292.427 2.052 20 30 CEEDHN C[C@H]1C[C@H](O)CN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597109046 346128940 /nfs/dbraw/zinc/12/89/40/346128940.db2.gz YTLNXYVNXSRBDS-WFASDCNBSA-N 0 3 256.349 2.197 20 30 CEEDHN C[C@H](CNC(=O)CC1(C#N)CCCCC1)N(C)C1CC1 ZINC000597115986 346130197 /nfs/dbraw/zinc/13/01/97/346130197.db2.gz BDUIYRJAVRIEJZ-CYBMUJFWSA-N 0 3 277.412 2.449 20 30 CEEDHN CN(C)C(=O)N(C)[C@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000597224483 346153818 /nfs/dbraw/zinc/15/38/18/346153818.db2.gz HOBUSWGZKIJKBM-ZDUSSCGKSA-N 0 3 280.416 2.004 20 30 CEEDHN CC(C)CC1(NCc2cnc3c(C#N)cnn3c2)CC1 ZINC000597229294 346155033 /nfs/dbraw/zinc/15/50/33/346155033.db2.gz KSRCTYIJULJAFN-UHFFFAOYSA-N 0 3 269.352 2.269 20 30 CEEDHN CC1(C)C[C@]1(C)NCc1cnc2ccc(C#N)cn12 ZINC000597229646 346155364 /nfs/dbraw/zinc/15/53/64/346155364.db2.gz HPPJIONPROMXOY-HNNXBMFYSA-N 0 3 254.337 2.484 20 30 CEEDHN C[C@H](O)C1(NCc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597231801 346156125 /nfs/dbraw/zinc/15/61/25/346156125.db2.gz RHPJWBGCOQWRNH-LBPRGKRZSA-N 0 3 256.349 2.245 20 30 CEEDHN C[C@H](CC#N)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000597791952 346231242 /nfs/dbraw/zinc/23/12/42/346231242.db2.gz BFIVVBIFKKLZOP-HYVNUMGLSA-N 0 3 297.402 2.269 20 30 CEEDHN CCC(C#N)C(=O)N(CC)[C@@H](C)C(=O)OC(C)(C)C ZINC000597873990 346243719 /nfs/dbraw/zinc/24/37/19/346243719.db2.gz KWFKWYQVGGUZNR-WDEREUQCSA-N 0 3 268.357 2.115 20 30 CEEDHN CCC(C#N)C(=O)N(CC)[C@H](C)C(=O)OC(C)(C)C ZINC000597873986 346243798 /nfs/dbraw/zinc/24/37/98/346243798.db2.gz KWFKWYQVGGUZNR-GHMZBOCLSA-N 0 3 268.357 2.115 20 30 CEEDHN CC[C@@H](C(=O)N1CCC[C@H](CC#N)C1)N(CC)CC ZINC000597910301 346251053 /nfs/dbraw/zinc/25/10/53/346251053.db2.gz YMMNPFQNIZGTDL-KGLIPLIRSA-N 0 3 265.401 2.259 20 30 CEEDHN CN(CCOCc1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC000339200991 215010935 /nfs/dbraw/zinc/01/09/35/215010935.db2.gz DVSMETQVFHMFNE-MRXNPFEDSA-N 0 3 274.364 2.186 20 30 CEEDHN CCN(C(=O)Cc1cccc(C#N)c1)[C@H]1CCN(CC)C1 ZINC000598041290 346274402 /nfs/dbraw/zinc/27/44/02/346274402.db2.gz SMKSVANBNHKJCJ-INIZCTEOSA-N 0 3 285.391 2.043 20 30 CEEDHN COc1cc(CN[C@H](C)CC(C)(C)O)ccc1C#N ZINC000295141697 199368197 /nfs/dbraw/zinc/36/81/97/199368197.db2.gz ZTVITRQVUJLXNJ-LLVKDONJSA-N 0 3 262.353 2.206 20 30 CEEDHN C[C@@H](CC#N)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000598195968 346302963 /nfs/dbraw/zinc/30/29/63/346302963.db2.gz YBCQWWBHFOMTEH-RDJZCZTQSA-N 0 3 299.418 2.312 20 30 CEEDHN CCCN1CC[C@H](NC(=O)CC2(C#N)CCCCC2)C1 ZINC000598342994 346331995 /nfs/dbraw/zinc/33/19/95/346331995.db2.gz QUZIRUROCLFEQG-AWEZNQCLSA-N 0 3 277.412 2.451 20 30 CEEDHN CCCN1CC[C@H](NC(=O)[C@@H](C#N)CCc2ccccc2)C1 ZINC000598342413 346332194 /nfs/dbraw/zinc/33/21/94/346332194.db2.gz MUNLOUWWWCFSLI-SJORKVTESA-N 0 3 299.418 2.359 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000598261709 346315859 /nfs/dbraw/zinc/31/58/59/346315859.db2.gz 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/nfs/dbraw/zinc/54/40/48/346544048.db2.gz FSLZXHRTTLYTCC-LBPRGKRZSA-N 0 3 278.352 2.285 20 30 CEEDHN CC(C)(C#N)CCN[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000599630022 346549274 /nfs/dbraw/zinc/54/92/74/346549274.db2.gz KUQQZZKFTDSSJE-OCCSQVGLSA-N 0 3 275.352 2.147 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000129162965 365832441 /nfs/dbraw/zinc/83/24/41/365832441.db2.gz RFPOZURZGXPWCN-OCCSQVGLSA-N 0 3 283.375 2.222 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000600614020 346662386 /nfs/dbraw/zinc/66/23/86/346662386.db2.gz FHMWOPKLPRUSAL-VIRWGQHYSA-N 0 3 250.248 2.097 20 30 CEEDHN CCOc1ccc(CNC[C@@H](O)CC2(C#N)CC2)cc1 ZINC000600717113 346677027 /nfs/dbraw/zinc/67/70/27/346677027.db2.gz IJYKGLNKGJXJGI-AWEZNQCLSA-N 0 3 274.364 2.230 20 30 CEEDHN CCOc1ccccc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600720422 346677629 /nfs/dbraw/zinc/67/76/29/346677629.db2.gz PHPACLKKAFJTNE-AWEZNQCLSA-N 0 3 274.364 2.230 20 30 CEEDHN COCc1cc(CNC[C@H](O)CC2(C#N)CC2)ccc1F ZINC000600723470 346678831 /nfs/dbraw/zinc/67/88/31/346678831.db2.gz UXRSOPQMYYOONP-CQSZACIVSA-N 0 3 292.354 2.116 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@@H]2COc3ccc(Cl)cc32)CC1 ZINC000600731290 346680212 /nfs/dbraw/zinc/68/02/12/346680212.db2.gz QPVXACKETMFGOZ-DGCLKSJQSA-N 0 3 292.766 2.418 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000600800938 346693090 /nfs/dbraw/zinc/69/30/90/346693090.db2.gz OCKPOCVQPULPIV-MWDXBVQZSA-N 0 3 298.386 2.131 20 30 CEEDHN CN(CC(=O)N1CCc2c(CC#N)cccc2C1)C1CCC1 ZINC000600838665 346698938 /nfs/dbraw/zinc/69/89/38/346698938.db2.gz SFVDZFBIZGZCCV-UHFFFAOYSA-N 0 3 297.402 2.122 20 30 CEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1cc(C#N)nc(C2CC2)n1 ZINC000601125988 346761643 /nfs/dbraw/zinc/76/16/43/346761643.db2.gz LUKFIRARSLXUSF-CABCVRRESA-N 0 3 297.406 2.289 20 30 CEEDHN Cc1cc(C#N)cc(N(C)[C@@H]2CCN(C)C[C@H]2C)n1 ZINC000601125942 346761772 /nfs/dbraw/zinc/76/17/72/346761772.db2.gz LBVOZYWJHDQJST-BXUZGUMPSA-N 0 3 258.369 2.038 20 30 CEEDHN Cc1cc(C#N)cc(N[C@H](C)C2=CCN(C)CC2)n1 ZINC000601140267 346766947 /nfs/dbraw/zinc/76/69/47/346766947.db2.gz WFTMMTPORAIKIP-GFCCVEGCSA-N 0 3 256.353 2.324 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C1(C#N)CC2(CC2)C1 ZINC000601011006 346731499 /nfs/dbraw/zinc/73/14/99/346731499.db2.gz MFHZJZXASCXLOM-KGLIPLIRSA-N 0 3 289.423 2.307 20 30 CEEDHN N#Cc1cnc(NCCN2CCCC2)c2sccc21 ZINC000601100961 346752462 /nfs/dbraw/zinc/75/24/62/346752462.db2.gz QYDKVXFJKNOTLU-UHFFFAOYSA-N 0 3 272.377 2.098 20 30 CEEDHN N#Cc1cnc(NCCN2CCCCC2)c2sccc21 ZINC000601105000 346754142 /nfs/dbraw/zinc/75/41/42/346754142.db2.gz PUAPRXARGALJLU-UHFFFAOYSA-N 0 3 286.404 2.488 20 30 CEEDHN C[C@H](CN(C)C(=O)[C@H](N)CCCC#N)C(C)(C)C ZINC000602626158 347109592 /nfs/dbraw/zinc/10/95/92/347109592.db2.gz QDOILKDOMHGVMS-VXGBXAGGSA-N 0 3 253.390 2.148 20 30 CEEDHN Cc1cc(C#N)cc(Nc2cnn(C3CCN(C)CC3)c2)n1 ZINC000601227085 346795542 /nfs/dbraw/zinc/79/55/42/346795542.db2.gz QPLXAHNEUXTJOG-UHFFFAOYSA-N 0 3 296.378 2.469 20 30 CEEDHN N#Cc1cccc(CNC[C@@H](CO)CC2CCCC2)n1 ZINC000602648387 347122737 /nfs/dbraw/zinc/12/27/37/347122737.db2.gz QKTJAZSJTCIVIB-AWEZNQCLSA-N 0 3 273.380 2.232 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@H]2[C@H]2CCCOC2)n1 ZINC000602703357 347158514 /nfs/dbraw/zinc/15/85/14/347158514.db2.gz ZRLSAPOEWUEAPV-BBRMVZONSA-N 0 3 271.364 2.344 20 30 CEEDHN CC(C#N)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000044810468 136698192 /nfs/dbraw/zinc/69/81/92/136698192.db2.gz FZYGSBYNXDCKBZ-LLVKDONJSA-N 0 3 277.755 2.148 20 30 CEEDHN N#CCC1(CN2CC[C@H](OCc3ccncc3)C2)CC1 ZINC000602821191 347213802 /nfs/dbraw/zinc/21/38/02/347213802.db2.gz MLOGGDLHPCPWIV-HNNXBMFYSA-N 0 3 271.364 2.366 20 30 CEEDHN Cc1cccc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602856190 347227024 /nfs/dbraw/zinc/22/70/24/347227024.db2.gz JFUBYIKASJWSMZ-GJZGRUSLSA-N 0 3 257.381 2.413 20 30 CEEDHN C[C@@H]1CN(CCCCOC(C)(C)C)C[C@H](C)N1CC#N ZINC000602856362 347227388 /nfs/dbraw/zinc/22/73/88/347227388.db2.gz ZNBWWCVSRGOXQQ-GASCZTMLSA-N 0 3 281.444 2.500 20 30 CEEDHN CCC[C@H](O)CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908068 347244099 /nfs/dbraw/zinc/24/40/99/347244099.db2.gz YVILJHARVADCQQ-HNNXBMFYSA-N 0 3 273.380 2.294 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(SC)CC1 ZINC000602922417 347248634 /nfs/dbraw/zinc/24/86/34/347248634.db2.gz VHJDFDXAJHSKIS-CYBMUJFWSA-N 0 3 282.453 2.403 20 30 CEEDHN Cc1c(NC(=O)C(C)C#N)c(=O)n(C2CCCCC2)n1C ZINC000603121911 347290772 /nfs/dbraw/zinc/29/07/72/347290772.db2.gz SZBZHJCLRAHNJT-JTQLQIEISA-N 0 3 290.367 2.099 20 30 CEEDHN N#CCCCN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000603147437 347298098 /nfs/dbraw/zinc/29/80/98/347298098.db2.gz XJOHHZXBJUUXIS-QWHCGFSZSA-N 0 3 286.297 2.414 20 30 CEEDHN C=CCCCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965381 347258646 /nfs/dbraw/zinc/25/86/46/347258646.db2.gz DMMFTDOWEKJUCU-CQSZACIVSA-N 0 3 264.325 2.358 20 30 CEEDHN CCOC(=O)CCCCN(C)[C@H]1CCC[C@H]1C#N ZINC000602978946 347263007 /nfs/dbraw/zinc/26/30/07/347263007.db2.gz ZASAQXAGIHWKGK-STQMWFEESA-N 0 3 252.358 2.344 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N(C)C[C@H](C)C(C)(C)C ZINC000603053413 347277393 /nfs/dbraw/zinc/27/73/93/347277393.db2.gz BWEOQEDWSIPHMK-QWHCGFSZSA-N 0 3 267.417 2.361 20 30 CEEDHN C[C@@H](CN(C)CC(=O)N[C@](C)(C#N)C1CC1)C(C)(C)C ZINC000603056920 347278194 /nfs/dbraw/zinc/27/81/94/347278194.db2.gz XQQLFMBSFJXRRS-BLLLJJGKSA-N 0 3 279.428 2.409 20 30 CEEDHN CC[C@@](C)(N)c1cn(Cc2ccc(C#N)cc2Cl)nn1 ZINC000603226868 347315328 /nfs/dbraw/zinc/31/53/28/347315328.db2.gz MVEHJDLLROENTD-CQSZACIVSA-N 0 3 289.770 2.435 20 30 CEEDHN N#CC1(Cn2cc(CNC3CCCCC3)nn2)CC1 ZINC000603228313 347316074 /nfs/dbraw/zinc/31/60/74/347316074.db2.gz XHIZGZQLNDOSNJ-UHFFFAOYSA-N 0 3 259.357 2.004 20 30 CEEDHN Cc1cc(C#N)ccc1Cn1cc([C@H](N)C(C)C)nn1 ZINC000603238869 347319342 /nfs/dbraw/zinc/31/93/42/347319342.db2.gz ZDIWXYIXCGZZNH-OAHLLOKOSA-N 0 3 269.352 2.162 20 30 CEEDHN C=CCSCCNCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000603421259 347365656 /nfs/dbraw/zinc/36/56/56/347365656.db2.gz STIMJKZDEMEKTG-UHFFFAOYSA-N 0 3 263.366 2.277 20 30 CEEDHN CCN(C[C@H]1COCCO1)[C@H](C)c1ccc(C#N)cc1 ZINC000336824153 365880628 /nfs/dbraw/zinc/88/06/28/365880628.db2.gz SXKLGNUMFJNNGW-CJNGLKHVSA-N 0 3 274.364 2.357 20 30 CEEDHN C=CCOc1ccc(C(=O)NCCN2CC[C@@H](C)C2)cc1 ZINC000608613555 347604468 /nfs/dbraw/zinc/60/44/68/347604468.db2.gz YHTGCDWKBPVPPT-CQSZACIVSA-N 0 3 288.391 2.323 20 30 CEEDHN Cc1cc(CNC2CCN(c3ccc(C#N)cc3)CC2)[nH]n1 ZINC000608982635 347624986 /nfs/dbraw/zinc/62/49/86/347624986.db2.gz ZYZNYXHAHCMLQZ-UHFFFAOYSA-N 0 3 295.390 2.348 20 30 CEEDHN N#Cc1ccc(NC(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000609391323 347638146 /nfs/dbraw/zinc/63/81/46/347638146.db2.gz UOVBEHQLQXLVQG-HNNXBMFYSA-N 0 3 284.363 2.164 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000609921129 347655905 /nfs/dbraw/zinc/65/59/05/347655905.db2.gz MPALFGQFPWVBAM-NEPJUHHUSA-N 0 3 291.782 2.442 20 30 CEEDHN CCO[C@@H]1C[C@@H](NC(=O)C(C)C#N)C12CCCC2 ZINC000610365140 347676131 /nfs/dbraw/zinc/67/61/31/347676131.db2.gz YAEDDIKXJKTFAJ-IJLUTSLNSA-N 0 3 250.342 2.000 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCN(CC3CC3)C2)s1 ZINC000610511408 347687505 /nfs/dbraw/zinc/68/75/05/347687505.db2.gz QBTWBTDTEWERAQ-LBPRGKRZSA-N 0 3 261.394 2.194 20 30 CEEDHN CCc1nnc(N[C@H]2CCN(CC3CC3)C2)c(C#N)c1CC ZINC000610715724 347705933 /nfs/dbraw/zinc/70/59/33/347705933.db2.gz VDLOPKIJNKAGOH-ZDUSSCGKSA-N 0 3 299.422 2.369 20 30 CEEDHN CC[C@@H](O)[C@@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000610993156 347729134 /nfs/dbraw/zinc/72/91/34/347729134.db2.gz FTQIYQSYRFBPGD-LSDHHAIUSA-N 0 3 259.353 2.079 20 30 CEEDHN N#Cc1cc(CN2CCCC3(CCOCC3)C2)ccn1 ZINC000610994258 347730522 /nfs/dbraw/zinc/73/05/22/347730522.db2.gz WUZBKCFVXUMSFY-UHFFFAOYSA-N 0 3 271.364 2.346 20 30 CEEDHN CCOCCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000336841646 365914424 /nfs/dbraw/zinc/91/44/24/365914424.db2.gz PFKVGFJEHLWWSH-UHFFFAOYSA-N 0 3 287.407 2.102 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612137708 347848198 /nfs/dbraw/zinc/84/81/98/347848198.db2.gz RFMNVQDNDMYUBB-ZBFHGGJFSA-N 0 3 292.427 2.196 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612137610 347848383 /nfs/dbraw/zinc/84/83/83/347848383.db2.gz GWJGNEOAVRCGHB-HOCLYGCPSA-N 0 3 294.443 2.298 20 30 CEEDHN N#Cc1ccc(CN2CCN(C[C@@H]3CCCOC3)CC2)cc1 ZINC000336856281 365927196 /nfs/dbraw/zinc/92/71/96/365927196.db2.gz LINQQYRSTKXFTL-SFHVURJKSA-N 0 3 299.418 2.102 20 30 CEEDHN C[C@H](N[C@@H](Cc1ccccc1)C(N)=O)c1cccc(C#N)c1 ZINC000612462075 347890206 /nfs/dbraw/zinc/89/02/06/347890206.db2.gz IYLDOLDINQMQJU-GUYCJALGSA-N 0 3 293.370 2.305 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@@H]1CCCO1 ZINC000130243179 365936003 /nfs/dbraw/zinc/93/60/03/365936003.db2.gz IXYKEJGTCRKPQK-RISCZKNCSA-N 0 3 260.337 2.224 20 30 CEEDHN CCN1CC[C@H]2OCCN(Cc3ccc(C#N)c(C)c3)[C@@H]2C1 ZINC000339391916 215140835 /nfs/dbraw/zinc/14/08/35/215140835.db2.gz KQWWCLAAWHPGNI-QZTJIDSGSA-N 0 3 299.418 2.162 20 30 CEEDHN CC(C#N)C(=O)N1Cc2cccc(Br)c2C1 ZINC000613846714 348114086 /nfs/dbraw/zinc/11/40/86/348114086.db2.gz CJKFBIZDJOHFNS-MRVPVSSYSA-N 0 3 279.137 2.451 20 30 CEEDHN N#CC1(NC(=O)CN2CC[C@H]3CCC[C@@H]32)CCCCC1 ZINC000614600830 348221012 /nfs/dbraw/zinc/22/10/12/348221012.db2.gz MAOIDAQDJMQPFX-KGLIPLIRSA-N 0 3 275.396 2.203 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCN(C)[C@H](C)[C@H]1C ZINC000614403275 348194455 /nfs/dbraw/zinc/19/44/55/348194455.db2.gz MZHUYJSYFGZFCU-ZIAGYGMSSA-N 0 3 257.381 2.391 20 30 CEEDHN CCC1CCC(N(CC(=O)NCC#N)C2CC2)CC1 ZINC000066495083 362869122 /nfs/dbraw/zinc/86/91/22/362869122.db2.gz PAINKGBZDZRUOC-UHFFFAOYSA-N 0 3 263.385 2.059 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)nc1 ZINC000615092288 348279203 /nfs/dbraw/zinc/27/92/03/348279203.db2.gz WNFIXSAEYXFMIN-OAGGEKHMSA-N 0 3 283.375 2.391 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)CSC)CC1 ZINC000066838888 362889066 /nfs/dbraw/zinc/88/90/66/362889066.db2.gz VSGZYPNLDUUHPQ-GFCCVEGCSA-N 0 3 270.442 2.142 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1C(=O)c1ccccc1 ZINC000615909717 348410913 /nfs/dbraw/zinc/41/09/13/348410913.db2.gz YAVIBVMUZHSFOP-WCQYABFASA-N 0 3 256.305 2.020 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CCOCC1 ZINC000617341618 348681168 /nfs/dbraw/zinc/68/11/68/348681168.db2.gz VEKXKIDUWZZQFP-CQSZACIVSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCCCN[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000271064677 190931071 /nfs/dbraw/zinc/93/10/71/190931071.db2.gz UFHCWEGTPMCQHS-CQSZACIVSA-N 0 3 298.308 2.409 20 30 CEEDHN C=CCOCCCNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000618526269 348967585 /nfs/dbraw/zinc/96/75/85/348967585.db2.gz PGGKOJGFQZFUTB-OAHLLOKOSA-N 0 3 280.412 2.102 20 30 CEEDHN C[C@H]1CN(CCC(=O)Nc2sccc2C#N)[C@H]1C ZINC000339563943 215244676 /nfs/dbraw/zinc/24/46/76/215244676.db2.gz NQYKLZIOPMGXTI-UWVGGRQHSA-N 0 3 263.366 2.289 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000619511451 349191541 /nfs/dbraw/zinc/19/15/41/349191541.db2.gz HMFQOLMOSJAISG-QGZVFWFLSA-N 0 3 286.375 2.338 20 30 CEEDHN CCN(Cc1ccc(C#N)cc1OC(F)F)[C@@H](C)CO ZINC000339629485 215279753 /nfs/dbraw/zinc/27/97/53/215279753.db2.gz JGFUDGIGUXTDHO-JTQLQIEISA-N 0 3 284.306 2.362 20 30 CEEDHN COc1cccc([C@H](CO)N[C@H]2CC[C@H](C#N)C2)c1 ZINC000619672861 349215198 /nfs/dbraw/zinc/21/51/98/349215198.db2.gz RLNFPEPCVWGYDJ-WHOFXGATSA-N 0 3 260.337 2.010 20 30 CEEDHN COCCN1CC[C@H](NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619748416 349232283 /nfs/dbraw/zinc/23/22/83/349232283.db2.gz KSCFTQHVWUHEOQ-AWEZNQCLSA-N 0 3 293.798 2.022 20 30 CEEDHN CC1=CCCN(C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000619554180 349198350 /nfs/dbraw/zinc/19/83/50/349198350.db2.gz GAUUEXRUIHFPPA-INIZCTEOSA-N 0 3 286.375 2.144 20 30 CEEDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cccc(CC#N)c1 ZINC000619567171 349200211 /nfs/dbraw/zinc/20/02/11/349200211.db2.gz ZRFNOFFWKDPOEX-MRXNPFEDSA-N 0 3 285.391 2.309 20 30 CEEDHN CCN1CCN(CCCC2(C#N)CCOCC2)C[C@H]1C ZINC000619621009 349206439 /nfs/dbraw/zinc/20/64/39/349206439.db2.gz GQTLCJJVYTZDQC-OAHLLOKOSA-N 0 3 279.428 2.113 20 30 CEEDHN C[C@H]1C[C@H](CO)CN(Cc2ccc(C#N)s2)C1 ZINC000335613156 212325828 /nfs/dbraw/zinc/32/58/28/212325828.db2.gz LUIUANCZIULHMX-QWRGUYRKSA-N 0 3 250.367 2.070 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000623748860 350100995 /nfs/dbraw/zinc/10/09/95/350100995.db2.gz KWGBQFVSABNKJA-NFAWXSAZSA-N 0 3 277.412 2.077 20 30 CEEDHN C=C(C)CCNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000624152927 350210838 /nfs/dbraw/zinc/21/08/38/350210838.db2.gz OFSHGWACIPQXGV-AWEZNQCLSA-N 0 3 265.401 2.269 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCCN1C ZINC000412244120 233371503 /nfs/dbraw/zinc/37/15/03/233371503.db2.gz MAFKSSGIVPHPLK-SJWGOKEGSA-N 0 3 297.402 2.261 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2nnc(C)s2)CC1 ZINC000106252945 186105372 /nfs/dbraw/zinc/10/53/72/186105372.db2.gz NTDNXPWJAQIDEF-UHFFFAOYSA-N 0 3 295.412 2.009 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000625703110 350552008 /nfs/dbraw/zinc/55/20/08/350552008.db2.gz YJYCAQWCLDIVGU-ZIAGYGMSSA-N 0 3 250.386 2.143 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@H](CO)CC1 ZINC000339754111 215328985 /nfs/dbraw/zinc/32/89/85/215328985.db2.gz OLRVDWWQUBLRRG-ZDUSSCGKSA-N 0 3 274.364 2.161 20 30 CEEDHN C=CCOc1cccc(CN(C)CCN2CCOCC2)c1 ZINC000130718407 365984451 /nfs/dbraw/zinc/98/44/51/365984451.db2.gz UHKKQDBJIVGDTA-UHFFFAOYSA-N 0 3 290.407 2.015 20 30 CEEDHN C=CCC[C@@H](O)CN[C@@H](c1ccc(OC)nc1)C1CC1 ZINC000626180114 350679685 /nfs/dbraw/zinc/67/96/85/350679685.db2.gz QEXBQXUOSWISTD-GDBMZVCRSA-N 0 3 276.380 2.458 20 30 CEEDHN C=CC1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000111257390 186378807 /nfs/dbraw/zinc/37/88/07/186378807.db2.gz SIGJEIWYFGCBFQ-UHFFFAOYSA-N 0 3 284.359 2.181 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1N1CC[C@H](N2CCCC2)C1 ZINC000131230142 366032921 /nfs/dbraw/zinc/03/29/21/366032921.db2.gz WOYYOSROLPUTTN-HNNXBMFYSA-N 0 3 283.375 2.435 20 30 CEEDHN C#CCOc1ccccc1CN[C@H](CO)Cc1ccccc1 ZINC000131541420 366064524 /nfs/dbraw/zinc/06/45/24/366064524.db2.gz TUZPOAORQXEFKB-SFHVURJKSA-N 0 3 295.382 2.392 20 30 CEEDHN C=CCN1CC[C@H](N(C)CCCSCC(C)C)C1=O ZINC000337201170 366072042 /nfs/dbraw/zinc/07/20/42/366072042.db2.gz CPQDKBLGBUAEBQ-AWEZNQCLSA-N 0 3 284.469 2.484 20 30 CEEDHN C=C(C)COCCNCc1cccc(NC(C)=O)c1 ZINC000631089274 351958763 /nfs/dbraw/zinc/95/87/63/351958763.db2.gz AVJVAAMXADZDCN-UHFFFAOYSA-N 0 3 262.353 2.327 20 30 CEEDHN C=CCCC[C@H](C)NCc1cn(C[C@H]2CCOC2)nn1 ZINC000631108992 351967352 /nfs/dbraw/zinc/96/73/52/351967352.db2.gz WQOFTZDCYGCKGG-UONOGXRCSA-N 0 3 278.400 2.149 20 30 CEEDHN N#Cc1ccc(CNC[C@H]2COC3(CCCC3)O2)s1 ZINC000271472070 191157067 /nfs/dbraw/zinc/15/70/67/191157067.db2.gz VVGFXJVOFHFORS-NSHDSACASA-N 0 3 278.377 2.395 20 30 CEEDHN C=CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000072489198 363139154 /nfs/dbraw/zinc/13/91/54/363139154.db2.gz MWUBAUYDFBMERK-HNNXBMFYSA-N 0 3 273.380 2.309 20 30 CEEDHN CS[C@@H]1CN(c2ccc(C#N)cc2F)C[C@@H]1N(C)C ZINC000271608366 191238634 /nfs/dbraw/zinc/23/86/34/191238634.db2.gz JQYDZFAAEDVAMQ-UONOGXRCSA-N 0 3 279.384 2.179 20 30 CEEDHN C[C@H](NCC[C@H]1CCOC1=O)c1ccc(C#N)cc1 ZINC000271649478 191258079 /nfs/dbraw/zinc/25/80/79/191258079.db2.gz ISUADNGJVZXTDZ-FZMZJTMJSA-N 0 3 258.321 2.162 20 30 CEEDHN COCC#CCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000669694803 539945077 /nfs/dbraw/zinc/94/50/77/539945077.db2.gz FYJVFAYEFDHIKH-OAHLLOKOSA-N 0 3 287.407 2.049 20 30 CEEDHN COCCOC[C@@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000154049360 188119845 /nfs/dbraw/zinc/11/98/45/188119845.db2.gz RCSVFPALOMPZJI-MRXNPFEDSA-N 0 3 291.366 2.162 20 30 CEEDHN C=CCN1CC[C@@H](N(C)[C@@H]2CCC(C)(C)C2)C1=O ZINC000337232682 366094033 /nfs/dbraw/zinc/09/40/33/366094033.db2.gz JQIQHPCYEHBRMK-CHWSQXEVSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCNC(=O)CN[C@H]1CC[C@@H](c2ccccc2)C1 ZINC000132669436 366162878 /nfs/dbraw/zinc/16/28/78/366162878.db2.gz SROLKNSLCHAJHT-CABCVRRESA-N 0 3 258.365 2.215 20 30 CEEDHN CN(C)[C@@H](CNc1cnc(C#N)cn1)c1cccc(F)c1 ZINC000132981869 366186429 /nfs/dbraw/zinc/18/64/29/366186429.db2.gz UCDPMBBYZVLXCS-AWEZNQCLSA-N 0 3 285.326 2.202 20 30 CEEDHN Cc1cn[nH]c1CN(C)CCOCc1ccc(C#N)cc1 ZINC000356332809 370662638 /nfs/dbraw/zinc/66/26/38/370662638.db2.gz GJRQIDYKFGAIHR-UHFFFAOYSA-N 0 3 284.363 2.238 20 30 CEEDHN CC[C@@H]1C[C@H](C)CN1CC(=O)NC1(C#N)CCCCC1 ZINC000075022757 363434845 /nfs/dbraw/zinc/43/48/45/363434845.db2.gz JINVWMHQARLBEQ-UONOGXRCSA-N 0 3 277.412 2.449 20 30 CEEDHN C[C@H](CNC(=O)/C=C/c1cccc(C#N)c1)N(C)C1CC1 ZINC000075577599 363475939 /nfs/dbraw/zinc/47/59/39/363475939.db2.gz QGEAPZBTYJIMAL-YSKGHYERSA-N 0 3 283.375 2.170 20 30 CEEDHN CC(C)C1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000075833391 363490696 /nfs/dbraw/zinc/49/06/96/363490696.db2.gz PSATYPNWJJCGSO-CYBMUJFWSA-N 0 3 265.401 2.115 20 30 CEEDHN C=CCN1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000075862138 363496151 /nfs/dbraw/zinc/49/61/51/363496151.db2.gz XLHSKDYSQXJUNS-LLVKDONJSA-N 0 3 278.318 2.295 20 30 CEEDHN C[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CCS1 ZINC000134342740 366310610 /nfs/dbraw/zinc/31/06/10/366310610.db2.gz USBFPHGHOYJYFZ-LBPRGKRZSA-N 0 3 289.404 2.324 20 30 CEEDHN N#Cc1cccc(CN2CCN3CCCC[C@@H]3C2)c1 ZINC000090824833 283205643 /nfs/dbraw/zinc/20/56/43/283205643.db2.gz PYBZYGUIQGIDHZ-MRXNPFEDSA-N 0 3 255.365 2.228 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccccc1OC(F)F ZINC000320321310 538773349 /nfs/dbraw/zinc/77/33/49/538773349.db2.gz XHAKOLRWTVVZDK-NSHDSACASA-N 0 3 257.280 2.315 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(COC)cs2)CC1 ZINC000668369669 538893795 /nfs/dbraw/zinc/89/37/95/538893795.db2.gz AURPZBPJHJYGRH-UHFFFAOYSA-N 0 3 294.420 2.275 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000668370506 538894263 /nfs/dbraw/zinc/89/42/63/538894263.db2.gz YVWQHUFMJKPJLT-NWANDNLSSA-N 0 3 262.397 2.189 20 30 CEEDHN CN(CCCOc1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000135185102 366404983 /nfs/dbraw/zinc/40/49/83/366404983.db2.gz FCKNKKOSETZQQO-CQSZACIVSA-N 0 3 260.337 2.048 20 30 CEEDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000294850100 199212344 /nfs/dbraw/zinc/21/23/44/199212344.db2.gz SAKNYJCYPGWVDX-CABCVRRESA-N 0 3 289.379 2.108 20 30 CEEDHN C=CCC[C@@H](O)CN(C)[C@@H]1CCCc2c1cnn2C ZINC000135561855 366454177 /nfs/dbraw/zinc/45/41/77/366454177.db2.gz NEURBSLRBQVUTC-TZMCWYRMSA-N 0 3 263.385 2.056 20 30 CEEDHN C=CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000079566848 363616328 /nfs/dbraw/zinc/61/63/28/363616328.db2.gz NWBSYMIRSUPRRS-UHFFFAOYSA-N 0 3 279.359 2.085 20 30 CEEDHN C=CCCCCN1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000578429195 366492456 /nfs/dbraw/zinc/49/24/56/366492456.db2.gz JNRAOEMPUCVJHQ-CQSZACIVSA-N 0 3 262.401 2.445 20 30 CEEDHN C#CCOc1ccccc1CN[C@H](C)Cc1cc(C)n[nH]1 ZINC000136785640 366524665 /nfs/dbraw/zinc/52/46/65/366524665.db2.gz POVPYJQISXUPPN-CYBMUJFWSA-N 0 3 283.375 2.451 20 30 CEEDHN C#CCOc1ccccc1CN[C@H](C)Cc1cc(C)[nH]n1 ZINC000136785640 366524669 /nfs/dbraw/zinc/52/46/69/366524669.db2.gz POVPYJQISXUPPN-CYBMUJFWSA-N 0 3 283.375 2.451 20 30 CEEDHN C=CCCNCc1c(Br)c(C)nn1C ZINC000168720226 540431857 /nfs/dbraw/zinc/43/18/57/540431857.db2.gz WKLFMEMJFPTSRX-UHFFFAOYSA-N 0 3 258.163 2.157 20 30 CEEDHN CCC#C[C@H](C)N1CC[C@H](OCc2ccncc2)C1 ZINC000672555586 540626643 /nfs/dbraw/zinc/62/66/43/540626643.db2.gz VCSSPFFPCBKAEH-HOCLYGCPSA-N 0 3 258.365 2.474 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNc1cc(C#N)ccn1 ZINC000579037364 366584580 /nfs/dbraw/zinc/58/45/80/366584580.db2.gz BDFDCZYPEFNWGN-ZDUSSCGKSA-N 0 3 258.369 2.486 20 30 CEEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@@H]1CCCNC1=O ZINC000579088693 366590885 /nfs/dbraw/zinc/59/08/85/366590885.db2.gz JKCVGXHRQCTZDY-GVDBMIGSSA-N 0 3 297.402 2.284 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000151121098 366622559 /nfs/dbraw/zinc/62/25/59/366622559.db2.gz SXGVCAGKDLANBU-GOEBONIOSA-N 0 3 284.403 2.413 20 30 CEEDHN CCN(CC)C(=O)C[C@H](C)NCc1cccc(C#N)c1 ZINC000151391763 366642273 /nfs/dbraw/zinc/64/22/73/366642273.db2.gz ZLSNEISABVVHQW-ZDUSSCGKSA-N 0 3 273.380 2.295 20 30 CEEDHN OC1([C@H]2CCCCN2CC#Cc2ccccc2)CC1 ZINC000579445297 366646146 /nfs/dbraw/zinc/64/61/46/366646146.db2.gz OZYZUKSBIBFIOW-MRXNPFEDSA-N 0 3 255.361 2.418 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)c1c(F)cc(C#N)cc1F ZINC000151628259 366656242 /nfs/dbraw/zinc/65/62/42/366656242.db2.gz IDFGLTPOTUGQOT-LLVKDONJSA-N 0 3 293.317 2.051 20 30 CEEDHN C=CCOCCN1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC000339153897 366679581 /nfs/dbraw/zinc/67/95/81/366679581.db2.gz IDJNUYDGJZIIHE-HOTGVXAUSA-N 0 3 289.375 2.078 20 30 CEEDHN CC(C)CN(CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000298464574 200439916 /nfs/dbraw/zinc/43/99/16/200439916.db2.gz NBVODVGPIGTLAL-UHFFFAOYSA-N 0 3 285.391 2.295 20 30 CEEDHN Cn1cc(CNC[C@H]2CCCO2)c(-c2ccc(C#N)cc2)n1 ZINC000180028980 189233507 /nfs/dbraw/zinc/23/35/07/189233507.db2.gz XKXXFZHXDZJKCR-MRXNPFEDSA-N 0 3 296.374 2.227 20 30 CEEDHN C=CCNC(=O)CNC(C)(C)c1ccc(CC)cc1 ZINC000180099265 189236522 /nfs/dbraw/zinc/23/65/22/189236522.db2.gz LLNHNKIZXSFJRM-UHFFFAOYSA-N 0 3 260.381 2.376 20 30 CEEDHN C=CCSCCN[C@@H]1CCCc2c1cnn2C ZINC000180454011 189256546 /nfs/dbraw/zinc/25/65/46/189256546.db2.gz IOHGVQXYBOPNEV-GFCCVEGCSA-N 0 3 251.399 2.306 20 30 CEEDHN COCC#CCN1CCC[C@H]1Cc1ccc(F)cc1 ZINC000677818396 541046620 /nfs/dbraw/zinc/04/66/20/541046620.db2.gz LJSKKJCAOUKJIB-INIZCTEOSA-N 0 3 261.340 2.482 20 30 CEEDHN CN(C)CCN(C)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000301484665 201024090 /nfs/dbraw/zinc/02/40/90/201024090.db2.gz VQVIGEKRWYIZSJ-UHFFFAOYSA-N 0 3 299.334 2.012 20 30 CEEDHN CN(CCNc1c(F)cc(C#N)cc1F)C1CC1 ZINC000083420447 363772531 /nfs/dbraw/zinc/77/25/31/363772531.db2.gz AILICCBUXWBICV-UHFFFAOYSA-N 0 3 251.280 2.343 20 30 CEEDHN CC(C)CN1CCCC[C@H]1CNC(=O)C(C)(C)C#N ZINC000154123599 366758121 /nfs/dbraw/zinc/75/81/21/366758121.db2.gz MUEAUVBUQCFTMH-ZDUSSCGKSA-N 0 3 265.401 2.163 20 30 CEEDHN CN(C)CCN(C(=O)c1ccc(C#N)o1)C1CCCCC1 ZINC000340174447 366790471 /nfs/dbraw/zinc/79/04/71/366790471.db2.gz VDDRRBGHJZRMIJ-UHFFFAOYSA-N 0 3 289.379 2.488 20 30 CEEDHN CCc1nnc(N(C)CCN(C)C2CC2)c(C#N)c1CC ZINC000184788817 189395685 /nfs/dbraw/zinc/39/56/85/189395685.db2.gz YBPYUAQRKAWCLR-UHFFFAOYSA-N 0 3 287.411 2.003 20 30 CEEDHN CS[C@H]1CN(Cc2ccc(F)cc2C#N)C[C@H]1N(C)C ZINC000342572024 216407944 /nfs/dbraw/zinc/40/79/44/216407944.db2.gz GBATXUJBAAWUED-CABCVRRESA-N 0 3 293.411 2.175 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C)[C@@H](F)C2)CC1 ZINC000679295382 541246559 /nfs/dbraw/zinc/24/65/59/541246559.db2.gz PQYMXURDOQOOBJ-JSGCOSHPSA-N 0 3 283.391 2.026 20 30 CEEDHN COc1ccc(CN[C@@H](C)[C@@H]2CCCO2)cc1C#N ZINC000087822797 363870931 /nfs/dbraw/zinc/87/09/31/363870931.db2.gz RMOWVJZMPHVTPC-FZMZJTMJSA-N 0 3 260.337 2.224 20 30 CEEDHN C=CCOCCNCc1cnc(-c2ccccn2)s1 ZINC000679486423 541279717 /nfs/dbraw/zinc/27/97/17/541279717.db2.gz LAFNBANRQYRAJL-UHFFFAOYSA-N 0 3 275.377 2.497 20 30 CEEDHN Cn1ncc2c1CCC[C@@H]2NCCOc1ccc(C#N)cc1 ZINC000090106569 364040730 /nfs/dbraw/zinc/04/07/30/364040730.db2.gz VCTYRAVQJNWASP-INIZCTEOSA-N 0 3 296.374 2.338 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)C1(C#N)CCCCC1 ZINC000092630559 364089862 /nfs/dbraw/zinc/08/98/62/364089862.db2.gz HOKPKIYVHFAYQG-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1CCN(C)CC1 ZINC000335082081 364450225 /nfs/dbraw/zinc/45/02/25/364450225.db2.gz CJAZHIGPLMDWDD-CYBMUJFWSA-N 0 3 285.391 2.419 20 30 CEEDHN C=CC1CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000335122109 364506249 /nfs/dbraw/zinc/50/62/49/364506249.db2.gz OLEBIPKDRRHAQB-ZDUSSCGKSA-N 0 3 250.386 2.284 20 30 CEEDHN Cc1cc(CN2CCC[C@@H]([C@H](C)O)C2)ccc1C#N ZINC000572093815 299345052 /nfs/dbraw/zinc/34/50/52/299345052.db2.gz UIOQUYPNTMEUCL-XJKSGUPXSA-N 0 3 258.365 2.460 20 30 CEEDHN C[C@@H](C(=O)N[C@@]1(C#N)CC1(C)C)N1CCCCCC1 ZINC000335183849 364590640 /nfs/dbraw/zinc/59/06/40/364590640.db2.gz QQQUPPSLTNMKCB-SWLSCSKDSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@@H](C#N)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000335345189 364689482 /nfs/dbraw/zinc/68/94/82/364689482.db2.gz PBVVJQQHGOIATF-LSDHHAIUSA-N 0 3 285.391 2.269 20 30 CEEDHN C=CC1CCN(C(=O)NCCN(CC)C2CC2)CC1 ZINC000111494033 364742033 /nfs/dbraw/zinc/74/20/33/364742033.db2.gz GSIHFNWRVZONIO-UHFFFAOYSA-N 0 3 265.401 2.078 20 30 CEEDHN CCS[C@@H]1CCCCN(CC(=O)N(CC)CCC#N)C1 ZINC000112088951 364772259 /nfs/dbraw/zinc/77/22/59/364772259.db2.gz PBAPIRGWQWTHPQ-CQSZACIVSA-N 0 3 297.468 2.356 20 30 CEEDHN CCN(Cc1ccc(C#N)cc1F)CC(C)(C)O ZINC000112675217 364825490 /nfs/dbraw/zinc/82/54/90/364825490.db2.gz BOXIRMWQAIDEIR-UHFFFAOYSA-N 0 3 250.317 2.290 20 30 CEEDHN C=CC[C@@H](CO)NCc1cnc2ccc(Cl)cn12 ZINC000680485228 541418480 /nfs/dbraw/zinc/41/84/80/541418480.db2.gz VXBAEXDBEHQCIW-NSHDSACASA-N 0 3 265.744 2.014 20 30 CEEDHN C=CC[C@H](C)NC(=O)NC[C@H]1CCCCN1CC ZINC000116958332 365083376 /nfs/dbraw/zinc/08/33/76/365083376.db2.gz NVVCIQSYYNYPIS-QWHCGFSZSA-N 0 3 253.390 2.125 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H](SC)C2)CC1 ZINC000117221254 365096274 /nfs/dbraw/zinc/09/62/74/365096274.db2.gz VZZXWCHMDHWIJQ-HUUCEWRRSA-N 0 3 294.464 2.122 20 30 CEEDHN CC[C@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000117342774 365104423 /nfs/dbraw/zinc/10/44/23/365104423.db2.gz SXSPDPAPBAXNBH-BBRMVZONSA-N 0 3 277.412 2.307 20 30 CEEDHN Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(C#N)cc1 ZINC000275353330 193007617 /nfs/dbraw/zinc/00/76/17/193007617.db2.gz AFRSGWLBPXRWDM-HOTGVXAUSA-N 0 3 296.374 2.302 20 30 CEEDHN C[C@@H](C(=O)N(C)[C@H]1CN2CCC1CC2)c1cccc(C#N)c1 ZINC000335908614 365148714 /nfs/dbraw/zinc/14/87/14/365148714.db2.gz VUGUNMWUOIPDSM-DYVFJYSZSA-N 0 3 297.402 2.214 20 30 CEEDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cccc(C#N)c1F ZINC000335951399 365208093 /nfs/dbraw/zinc/20/80/93/365208093.db2.gz VXBGHFAXWKDSST-NWDGAFQWSA-N 0 3 261.344 2.222 20 30 CEEDHN CC(C)CN1CCCC[C@@H]1CNc1nccnc1C#N ZINC000119060284 365209182 /nfs/dbraw/zinc/20/91/82/365209182.db2.gz SCOTYYUILUKKSM-CYBMUJFWSA-N 0 3 273.384 2.271 20 30 CEEDHN C=CCCCCCN(C)C[C@H](C)CS(C)(=O)=O ZINC000119350216 365259039 /nfs/dbraw/zinc/25/90/39/365259039.db2.gz JRDLWLDRIHTJQU-ZDUSSCGKSA-N 0 3 261.431 2.345 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000119459448 365276482 /nfs/dbraw/zinc/27/64/82/365276482.db2.gz IUXWEJHBYDBUJP-HNNXBMFYSA-N 0 3 283.375 2.177 20 30 CEEDHN CC(C)[C@H](O)CNC1CC(C#N)(c2ccccc2)C1 ZINC000119222895 365237913 /nfs/dbraw/zinc/23/79/13/365237913.db2.gz NBJLDVVMPKZWJJ-HWOWSKLDSA-N 0 3 258.365 2.217 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)Nc2cccc(C#N)c2)CCN1C ZINC000336026748 365309834 /nfs/dbraw/zinc/30/98/34/365309834.db2.gz ZRXPVNPPNXSJFN-RISCZKNCSA-N 0 3 272.352 2.162 20 30 CEEDHN N#CCC[C@H](C#N)CNCC[C@@H]1COc2ccccc2O1 ZINC000582156734 366869881 /nfs/dbraw/zinc/86/98/81/366869881.db2.gz WECGDXIKVVYNGH-ZIAGYGMSSA-N 0 3 285.347 2.250 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000275667997 193100201 /nfs/dbraw/zinc/10/02/01/193100201.db2.gz FRPRBGAQUPUCGJ-QGZVFWFLSA-N 0 3 294.439 2.372 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccc(C#N)nn1 ZINC000160236875 366986483 /nfs/dbraw/zinc/98/64/83/366986483.db2.gz JHHPVQXRNZOJBW-BBRMVZONSA-N 0 3 293.374 2.281 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CCCC[C@@H]1CN(C)C ZINC000583122157 367002946 /nfs/dbraw/zinc/00/29/46/367002946.db2.gz JIUXVACQUMLZKP-GFCCVEGCSA-N 0 3 275.352 2.016 20 30 CEEDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)N(C)CCC#N ZINC000160534020 367015168 /nfs/dbraw/zinc/01/51/68/367015168.db2.gz GNJBCGRPSJMQIM-STQMWFEESA-N 0 3 253.390 2.115 20 30 CEEDHN CCOC(=O)C1CCC(NCc2ccc(C#N)o2)CC1 ZINC000161068848 367053721 /nfs/dbraw/zinc/05/37/21/367053721.db2.gz YLRAWDVGRNJPFV-UHFFFAOYSA-N 0 3 276.336 2.363 20 30 CEEDHN CCN1C[C@@H](C)N(c2ccc(C#N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000357452855 370818593 /nfs/dbraw/zinc/81/85/93/370818593.db2.gz JEHJRNKJJNAKRU-NWDGAFQWSA-N 0 3 288.351 2.385 20 30 CEEDHN CC(C#N)C(=O)NCc1ccccc1OC(F)F ZINC000357821062 370829578 /nfs/dbraw/zinc/82/95/78/370829578.db2.gz IOVCKSXLYGSWQK-QMMMGPOBSA-N 0 3 254.236 2.064 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000357832720 370830550 /nfs/dbraw/zinc/83/05/50/370830550.db2.gz QNOIDGZXQJMMDW-CYBMUJFWSA-N 0 3 286.379 2.094 20 30 CEEDHN CC[C@H](CSC)N(C)CC(=O)N(CC)C[C@H](C)C#N ZINC000245577934 370843218 /nfs/dbraw/zinc/84/32/18/370843218.db2.gz FXPFXINFVVACDX-CHWSQXEVSA-N 0 3 285.457 2.068 20 30 CEEDHN C=C(C)CNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000162910433 367203077 /nfs/dbraw/zinc/20/30/77/367203077.db2.gz ZZXYUAHIVBPNKB-OAHLLOKOSA-N 0 3 275.396 2.035 20 30 CEEDHN CC(C)[C@@H]1CN(c2cc(C#N)nc(C3CC3)n2)CCN1C ZINC000601155942 367216327 /nfs/dbraw/zinc/21/63/27/367216327.db2.gz OVIMDLKFWGNWSJ-AWEZNQCLSA-N 0 3 285.395 2.002 20 30 CEEDHN C[C@H]1CCC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000163088650 367218185 /nfs/dbraw/zinc/21/81/85/367218185.db2.gz LKMCXJHRAWTFRO-SWLSCSKDSA-N 0 3 292.404 2.110 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000342367047 367402932 /nfs/dbraw/zinc/40/29/32/367402932.db2.gz YHMGRWPBUOWAHA-MRXNPFEDSA-N 0 3 289.423 2.377 20 30 CEEDHN C=CCC[C@@H](C)[NH2+]Cc1nnc(C2CCOCC2)[n-]1 ZINC000631693191 367486338 /nfs/dbraw/zinc/48/63/38/367486338.db2.gz JDPPVEORDAVTJC-LLVKDONJSA-N 0 3 264.373 2.143 20 30 CEEDHN C=CCC[C@@H](C)NCc1nnc(C2CCOCC2)[nH]1 ZINC000631693191 367486345 /nfs/dbraw/zinc/48/63/45/367486345.db2.gz JDPPVEORDAVTJC-LLVKDONJSA-N 0 3 264.373 2.143 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC[C@H]1CCCO1 ZINC000342611439 367450597 /nfs/dbraw/zinc/45/05/97/367450597.db2.gz XYDGKVPKRUHSIS-LSDHHAIUSA-N 0 3 282.428 2.300 20 30 CEEDHN Cc1nsc(NC[C@]2(N(C)C)CCSC2)c1C#N ZINC000342826117 367559543 /nfs/dbraw/zinc/55/95/43/367559543.db2.gz SUGJOIYANKCKRA-GFCCVEGCSA-N 0 3 282.438 2.172 20 30 CEEDHN C=CCn1cccc1C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000342749719 367513543 /nfs/dbraw/zinc/51/35/43/367513543.db2.gz ZYIADJLBBSUALE-HUUCEWRRSA-N 0 3 287.407 2.373 20 30 CEEDHN Cc1ccnc(N(C)[C@@H]2CCN(C)C[C@H]2C)c1C#N ZINC000343507303 367850801 /nfs/dbraw/zinc/85/08/01/367850801.db2.gz HYEOHAFHVYITNK-TZMCWYRMSA-N 0 3 258.369 2.038 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CCCN1C ZINC000343441180 367817230 /nfs/dbraw/zinc/81/72/30/367817230.db2.gz CBHKTJYLPIIWOL-CJNGLKHVSA-N 0 3 297.402 2.189 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1ccc(CC#N)cc1 ZINC000343598115 367908633 /nfs/dbraw/zinc/90/86/33/367908633.db2.gz IBLRPTPCUDVJSQ-INIZCTEOSA-N 0 3 285.391 2.357 20 30 CEEDHN C=CC[C@H](CO)NCc1cc(C(=O)OC)ccc1Cl ZINC000343605231 367911507 /nfs/dbraw/zinc/91/15/07/367911507.db2.gz UDUUCECNCQBZPH-GFCCVEGCSA-N 0 3 283.755 2.153 20 30 CEEDHN CO[C@@H](C)CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000344153264 368111821 /nfs/dbraw/zinc/11/18/21/368111821.db2.gz KSYXHRKNVWECJJ-DZGCQCFKSA-N 0 3 274.364 2.252 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](CO)c2ccccc2)s1 ZINC000175049223 368092749 /nfs/dbraw/zinc/09/27/49/368092749.db2.gz YMHJRDFTSLSOFI-ZDUSSCGKSA-N 0 3 272.373 2.485 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cscc2C)CC1 ZINC000176522980 368247000 /nfs/dbraw/zinc/24/70/00/368247000.db2.gz OQVBPMUDFJLNKF-UHFFFAOYSA-N 0 3 264.394 2.437 20 30 CEEDHN C[C@H](NCCNC(=O)c1ccco1)c1cccc(C#N)c1 ZINC000181428867 368455057 /nfs/dbraw/zinc/45/50/57/368455057.db2.gz BDCNVARAGCJRRJ-LBPRGKRZSA-N 0 3 283.331 2.232 20 30 CEEDHN C[C@H](CNC(=O)Cc1ccc(C#N)cc1)N1CCCC[C@H]1C ZINC000345882669 368467612 /nfs/dbraw/zinc/46/76/12/368467612.db2.gz XPPCFNZPOVCLNB-HUUCEWRRSA-N 0 3 299.418 2.480 20 30 CEEDHN C[C@H](NCCN1CCOCC1(C)C)c1ccc(C#N)cc1 ZINC000181679199 368481417 /nfs/dbraw/zinc/48/14/17/368481417.db2.gz YDHNIUDQOHXGFX-AWEZNQCLSA-N 0 3 287.407 2.320 20 30 CEEDHN C[C@@H](NCCCN1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000346112286 368546953 /nfs/dbraw/zinc/54/69/53/368546953.db2.gz VRJHTCSVVKJREA-CYBMUJFWSA-N 0 3 291.370 2.070 20 30 CEEDHN C[C@H](NCCCN1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000346112291 368547227 /nfs/dbraw/zinc/54/72/27/368547227.db2.gz VRJHTCSVVKJREA-ZDUSSCGKSA-N 0 3 291.370 2.070 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346155639 368566106 /nfs/dbraw/zinc/56/61/06/368566106.db2.gz ATWUQJYORMOEDZ-ZJIFWQFVSA-N 0 3 294.439 2.156 20 30 CEEDHN CCCNC(=O)CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346224467 368598850 /nfs/dbraw/zinc/59/88/50/368598850.db2.gz XBBWQXQJKINFDN-LLVKDONJSA-N 0 3 277.343 2.264 20 30 CEEDHN C=C[C@@H](C)N[C@H](C)c1ccccc1OCC(=O)OC ZINC000346546839 368712073 /nfs/dbraw/zinc/71/20/73/368712073.db2.gz AJTHGJYIPMVSKF-VXGBXAGGSA-N 0 3 263.337 2.464 20 30 CEEDHN CC[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000246098558 370908551 /nfs/dbraw/zinc/90/85/51/370908551.db2.gz AQUZTTZBMBXUDN-LCCAYYTGSA-N 0 3 280.393 2.321 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C)[C@H](C)C1 ZINC000347580341 368812379 /nfs/dbraw/zinc/81/23/79/368812379.db2.gz LOSOFGVPTPRZTE-IXYNUQLISA-N 0 3 279.428 2.407 20 30 CEEDHN C=C(C)CN[C@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000185645606 368836168 /nfs/dbraw/zinc/83/61/68/368836168.db2.gz BHRVCFRIEWXMDO-GFCCVEGCSA-N 0 3 263.337 2.465 20 30 CEEDHN C=CCOCCCN1C[C@@H]2CCCCN2C[C@H]1C ZINC000348039433 368868823 /nfs/dbraw/zinc/86/88/23/368868823.db2.gz DCYBLRVYAKOFKO-CABCVRRESA-N 0 3 252.402 2.138 20 30 CEEDHN CCC[C@@H]1CCCCN1CC(=O)N(CCC#N)CCC#N ZINC000185874544 368878523 /nfs/dbraw/zinc/87/85/23/368878523.db2.gz KIFOFPNSALBFMQ-OAHLLOKOSA-N 0 3 290.411 2.297 20 30 CEEDHN C#CCC(C)(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000185988154 368900247 /nfs/dbraw/zinc/90/02/47/368900247.db2.gz DRTFGXWPXONKJT-UHFFFAOYSA-N 0 3 299.418 2.464 20 30 CEEDHN CCO[C@H]1C[C@@](CO)(NCc2ccc(C#N)cc2)C1(C)C ZINC000186578592 368998731 /nfs/dbraw/zinc/99/87/31/368998731.db2.gz AWBVFDGNKDQRND-RDJZCZTQSA-N 0 3 288.391 2.214 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccon1 ZINC000348438040 369046609 /nfs/dbraw/zinc/04/66/09/369046609.db2.gz FATLSTNTKSAVAR-RISCZKNCSA-N 0 3 294.314 2.106 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000186686172 369019742 /nfs/dbraw/zinc/01/97/42/369019742.db2.gz NVPBIZYXDZISHA-YPMHNXCESA-N 0 3 264.325 2.491 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000186695055 369022306 /nfs/dbraw/zinc/02/23/06/369022306.db2.gz MXEXUMCCTSHGLK-ZYHUDNBSSA-N 0 3 250.298 2.182 20 30 CEEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(OC)ncc1F ZINC000348374554 369023181 /nfs/dbraw/zinc/02/31/81/369023181.db2.gz JPDPRLPQPKFBPC-MNOVXSKESA-N 0 3 268.332 2.065 20 30 CEEDHN CCS[C@@H]1CCC[C@@H]1NCC(=O)N(CC)C[C@@H](C)C#N ZINC000348463337 369053958 /nfs/dbraw/zinc/05/39/58/369053958.db2.gz ANFVBFHIURMCLF-MELADBBJSA-N 0 3 297.468 2.258 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](CC(N)=O)C1 ZINC000187708187 369208036 /nfs/dbraw/zinc/20/80/36/369208036.db2.gz CGVHTRPDTYQREA-TZMCWYRMSA-N 0 3 271.364 2.207 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1[nH]cnc1C)C(C)C ZINC000635559095 369218521 /nfs/dbraw/zinc/21/85/21/369218521.db2.gz DXQMIEMCQVENHP-AWEZNQCLSA-N 0 3 290.411 2.147 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC000635890415 369394314 /nfs/dbraw/zinc/39/43/14/369394314.db2.gz ULGJQMGISDVKBI-DZGCQCFKSA-N 0 3 282.428 2.062 20 30 CEEDHN COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1[N+](=O)[O-] ZINC000349814625 369408176 /nfs/dbraw/zinc/40/81/76/369408176.db2.gz VENGUDUFDSJUAA-CMPLNLGQSA-N 0 3 275.308 2.385 20 30 CEEDHN COc1ccc(OC)c(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000349819500 369411128 /nfs/dbraw/zinc/41/11/28/369411128.db2.gz BDIQGCYQMFFZAQ-YPMHNXCESA-N 0 3 260.337 2.486 20 30 CEEDHN CC[C@]1(CO)CCCN1Cc1cc(C#N)ccc1F ZINC000189616037 369547665 /nfs/dbraw/zinc/54/76/65/369547665.db2.gz HOFUCSQMFMQZDC-OAHLLOKOSA-N 0 3 262.328 2.434 20 30 CEEDHN C=CCCN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000276353399 193296647 /nfs/dbraw/zinc/29/66/47/193296647.db2.gz DPBPVAVZTXVAFQ-ZDUSSCGKSA-N 0 3 250.298 2.136 20 30 CEEDHN C=CCCCCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000351617919 369644100 /nfs/dbraw/zinc/64/41/00/369644100.db2.gz FIWBFJVRXGGKRB-AWEZNQCLSA-N 0 3 285.457 2.079 20 30 CEEDHN C=CCN(CCOC)C[C@H](O)COc1c(C)cccc1C ZINC000191074515 369673747 /nfs/dbraw/zinc/67/37/47/369673747.db2.gz HYWSSWCBBVAGIY-INIZCTEOSA-N 0 3 293.407 2.178 20 30 CEEDHN CCN1CCN(Cc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000352673268 369829647 /nfs/dbraw/zinc/82/96/47/369829647.db2.gz NHXGITMQGCFHLF-LBPRGKRZSA-N 0 3 261.344 2.223 20 30 CEEDHN C=CCNC(=O)CNC1CC(c2ccccc2Cl)C1 ZINC000352750741 369867550 /nfs/dbraw/zinc/86/75/50/369867550.db2.gz RTADCRNELLCYNV-UHFFFAOYSA-N 0 3 278.783 2.478 20 30 CEEDHN CCN1CCN(Cc2cn3ccccc3c2C#N)[C@H](C)C1 ZINC000352697652 369841996 /nfs/dbraw/zinc/84/19/96/369841996.db2.gz LQVKICKWJXHLND-CQSZACIVSA-N 0 3 282.391 2.337 20 30 CEEDHN CC#CCN(C)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000637368414 369920493 /nfs/dbraw/zinc/92/04/93/369920493.db2.gz PLKNYPMLRKZRIY-OAHLLOKOSA-N 0 3 277.412 2.058 20 30 CEEDHN CCN1CCC[C@H](NC(=O)CCc2ccc(C#N)cc2)C1 ZINC000194645339 370061089 /nfs/dbraw/zinc/06/10/89/370061089.db2.gz IHRFYYNXPMROEK-INIZCTEOSA-N 0 3 285.391 2.091 20 30 CEEDHN COc1cc(CN[C@@H](C)COC(C)C)ccc1C#N ZINC000353208239 370072202 /nfs/dbraw/zinc/07/22/02/370072202.db2.gz JBBWMEKVAQNPCX-LBPRGKRZSA-N 0 3 262.353 2.470 20 30 CEEDHN C=CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000353956685 370153147 /nfs/dbraw/zinc/15/31/47/370153147.db2.gz WEYFWHMOZICTSS-HNNXBMFYSA-N 0 3 273.380 2.088 20 30 CEEDHN COC[C@@H]1CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000354046710 370194198 /nfs/dbraw/zinc/19/41/98/370194198.db2.gz FOAACXMRMDRGBD-CABCVRRESA-N 0 3 272.348 2.006 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@]1(OC)CCOC1 ZINC000637960501 370201952 /nfs/dbraw/zinc/20/19/52/370201952.db2.gz PEQFZBSUIINZSF-QGZVFWFLSA-N 0 3 291.391 2.489 20 30 CEEDHN COc1cc(CN(C)CCCCCO)ccc1C#N ZINC000227063494 370357857 /nfs/dbraw/zinc/35/78/57/370357857.db2.gz XHCOWOWJNAAMJA-UHFFFAOYSA-N 0 3 262.353 2.161 20 30 CEEDHN CCC(CC)[C@H](O)CNCc1ccc(OC)c(C#N)c1 ZINC000230659199 370461490 /nfs/dbraw/zinc/46/14/90/370461490.db2.gz QVELVGRQPYVKCY-OAHLLOKOSA-N 0 3 276.380 2.454 20 30 CEEDHN COc1cc(CN2CCN(C(C)C)CC2)ccc1C#N ZINC000234981363 370552630 /nfs/dbraw/zinc/55/26/30/370552630.db2.gz YMNDNRMFSCWBIU-UHFFFAOYSA-N 0 3 273.380 2.093 20 30 CEEDHN C[C@@H](CN1CCCCC1)Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000235104129 370556332 /nfs/dbraw/zinc/55/63/32/370556332.db2.gz UCUZJJFHLOXFHZ-NSHDSACASA-N 0 3 289.339 2.148 20 30 CEEDHN N#Cc1ccc(F)c(CN[C@H]2CCO[C@@H]2C2CC2)c1 ZINC000236155610 370584275 /nfs/dbraw/zinc/58/42/75/370584275.db2.gz XOCLCLXXSYLUNN-LSDHHAIUSA-N 0 3 260.312 2.354 20 30 CEEDHN N#Cc1cc(CN[C@H]2CCO[C@H]2C2CC2)ccc1F ZINC000236162063 370584747 /nfs/dbraw/zinc/58/47/47/370584747.db2.gz BFVWXWBARDNJKI-GJZGRUSLSA-N 0 3 260.312 2.354 20 30 CEEDHN C=CCCC1(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)CC1 ZINC000356144105 370625101 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CC(C)(C#N)CCCCN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000375723731 374673097 /nfs/dbraw/zinc/67/30/97/374673097.db2.gz HDCMKNIGZZMNIM-BFHYXJOUSA-N 0 3 277.412 2.292 20 30 CEEDHN CC[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(C#N)cc1 ZINC000278197035 374747400 /nfs/dbraw/zinc/74/74/00/374747400.db2.gz GBRGLLWVBIXRDC-DZGCQCFKSA-N 0 3 292.404 2.034 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000278407888 374806392 /nfs/dbraw/zinc/80/63/92/374806392.db2.gz HBRASOSAAKGYBU-VYDXJSESSA-N 0 3 284.403 2.311 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC(Oc2ncccc2F)CC1 ZINC000278328653 374781305 /nfs/dbraw/zinc/78/13/05/374781305.db2.gz OBALXGGOIMSFBH-CYBMUJFWSA-N 0 3 294.370 2.391 20 30 CEEDHN C=C(C)CN(Cc1ccccc1)C[C@](C)(O)C(=O)OCC ZINC000279373545 374852289 /nfs/dbraw/zinc/85/22/89/374852289.db2.gz SCLPSPPFOYVJNC-KRWDZBQOSA-N 0 3 291.391 2.379 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@@](CO)(C(C)C)C1 ZINC000377631572 374906756 /nfs/dbraw/zinc/90/67/56/374906756.db2.gz STWXRWQNEJRVAL-QGZVFWFLSA-N 0 3 288.391 2.407 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)[C@]12CCCO2 ZINC000378576551 375129344 /nfs/dbraw/zinc/12/93/44/375129344.db2.gz CJQQWSZMQZXVIK-BRWVUGGUSA-N 0 3 286.375 2.374 20 30 CEEDHN C=CCNC(=O)C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000280251695 375143796 /nfs/dbraw/zinc/14/37/96/375143796.db2.gz WQBUYNVKQADVSA-ZDUSSCGKSA-N 0 3 262.353 2.044 20 30 CEEDHN CC[C@H]1[C@@H](CO)CCN1Cc1ccc(C#N)cc1F ZINC000386282341 375256611 /nfs/dbraw/zinc/25/66/11/375256611.db2.gz OGOIVCGERHLTCG-HIFRSBDPSA-N 0 3 262.328 2.290 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc(C#N)oc1C ZINC000280765468 375313623 /nfs/dbraw/zinc/31/36/23/375313623.db2.gz ZAHRZLTZOMFOOQ-CYBMUJFWSA-N 0 3 289.379 2.454 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1nc(C)ccc1[O-] ZINC000280604404 375259331 /nfs/dbraw/zinc/25/93/31/375259331.db2.gz JQAZJCJIRNHKKU-DOMZBBRYSA-N 0 3 262.353 2.166 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(SC)cc1 ZINC000281806613 375395663 /nfs/dbraw/zinc/39/56/63/375395663.db2.gz IWWLOIAEIVHFHQ-VXGBXAGGSA-N 0 3 276.405 2.197 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1nccnc1C ZINC000280933003 375346708 /nfs/dbraw/zinc/34/67/08/375346708.db2.gz VKGOOBVUEYSEPU-GUTXKFCHSA-N 0 3 261.369 2.417 20 30 CEEDHN C=CCS(=O)(=O)CCNCCSCc1ccccc1 ZINC000281125589 375357603 /nfs/dbraw/zinc/35/76/03/375357603.db2.gz MWGDDRZTOPBXII-UHFFFAOYSA-N 0 3 299.461 2.110 20 30 CEEDHN C=CCN1CC[C@@H](N(C)CCCc2cccc(F)c2)C1=O ZINC000281407951 375378396 /nfs/dbraw/zinc/37/83/96/375378396.db2.gz QZHHGZJJDHZTQB-MRXNPFEDSA-N 0 3 290.382 2.477 20 30 CEEDHN CC(C)C(=O)NC[C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000408381306 375465094 /nfs/dbraw/zinc/46/50/94/375465094.db2.gz JIZFGFYWAXCMDZ-SOUVJXGZSA-N 0 3 277.412 2.163 20 30 CEEDHN COc1cc(CN(C)C[C@@H]2CCC[C@H]2O)ccc1C#N ZINC000282427127 375481913 /nfs/dbraw/zinc/48/19/13/375481913.db2.gz SXKZBJSIOQNJKA-LSDHHAIUSA-N 0 3 274.364 2.160 20 30 CEEDHN C[C@H](CC(=O)N(C)C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000417383738 376188281 /nfs/dbraw/zinc/18/82/81/376188281.db2.gz KPGXZUKENFBIOG-WBMJQRKESA-N 0 3 285.391 2.392 20 30 CEEDHN CN(CCn1ccn2ncc(C#N)c12)Cc1ccccc1 ZINC000419027818 376379468 /nfs/dbraw/zinc/37/94/68/376379468.db2.gz QPAQEBNVQNHFGR-UHFFFAOYSA-N 0 3 279.347 2.139 20 30 CEEDHN C#Cc1ccc(CN2CCN(CC3CCOCC3)CC2)cc1 ZINC000289520815 376397840 /nfs/dbraw/zinc/39/78/40/376397840.db2.gz FXTRPIMHAXCJCB-UHFFFAOYSA-N 0 3 298.430 2.212 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2CCC[C@H]2C2CCC2)cc1 ZINC000263996157 190087729 /nfs/dbraw/zinc/08/77/29/190087729.db2.gz LUFVDTYIWCZNBV-KRWDZBQOSA-N 0 3 297.402 2.439 20 30 CEEDHN C=C[C@H](CO)N[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000289995492 376595845 /nfs/dbraw/zinc/59/58/45/376595845.db2.gz YSJIJEVKTAVHNU-SNPRPXQTSA-N 0 3 261.365 2.369 20 30 CEEDHN C[C@@H](CF)NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000290052328 376621451 /nfs/dbraw/zinc/62/14/51/376621451.db2.gz DQHGRIBSMXIUIV-LBPRGKRZSA-N 0 3 261.344 2.475 20 30 CEEDHN CCN(Cc1ccc(OC)c(C#N)c1)[C@@H]1CCOC1 ZINC000311466965 376671158 /nfs/dbraw/zinc/67/11/58/376671158.db2.gz NLFDRWBTFTVVLP-CQSZACIVSA-N 0 3 260.337 2.178 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCc3ccccc3C2)CC1 ZINC000264396773 190107235 /nfs/dbraw/zinc/10/72/35/190107235.db2.gz YHQXYKKCGVMLGS-UHFFFAOYSA-N 0 3 299.418 2.405 20 30 CEEDHN C#C[C@@H](NCc1ccc(C(=O)NC)cc1)C(C)(C)C ZINC000290169154 376670256 /nfs/dbraw/zinc/67/02/56/376670256.db2.gz MONHLPJGJHAHLH-CQSZACIVSA-N 0 3 258.365 2.184 20 30 CEEDHN Cc1nc(N2CC[C@]3(CCN(C)C3)C2)c(Cl)cc1C#N ZINC000312759728 376729974 /nfs/dbraw/zinc/72/99/74/376729974.db2.gz YGWYSFSDPPAYQL-HNNXBMFYSA-N 0 3 290.798 2.447 20 30 CEEDHN CC[C@H]1CN(C)CCN1CCCOc1cccc(C#N)c1 ZINC000559637250 376685444 /nfs/dbraw/zinc/68/54/44/376685444.db2.gz TWCZOEBSZXBHTP-INIZCTEOSA-N 0 3 287.407 2.353 20 30 CEEDHN CC(C#N)C(=O)NCCc1cccc(Br)c1 ZINC000314140379 376764594 /nfs/dbraw/zinc/76/45/94/376764594.db2.gz DNHHJOUQJBDEHY-VIFPVBQESA-N 0 3 281.153 2.267 20 30 CEEDHN C[C@H]1C[C@H](CO)CN(CC#Cc2ccc(F)cc2)C1 ZINC000420950793 376748279 /nfs/dbraw/zinc/74/82/79/376748279.db2.gz WOZVXJJLGADPPX-ZFWWWQNUSA-N 0 3 261.340 2.128 20 30 CEEDHN C=CCC[C@H](CO)NCc1cn(C)nc1C(C)(C)C ZINC000320281445 376823485 /nfs/dbraw/zinc/82/34/85/376823485.db2.gz ONILEIXXNQCFQM-CYBMUJFWSA-N 0 3 265.401 2.134 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cn2cc(Cl)ccc2n1 ZINC000320269541 376823554 /nfs/dbraw/zinc/82/35/54/376823554.db2.gz LPFQHCZQUJIFRT-LBPRGKRZSA-N 0 3 279.771 2.404 20 30 CEEDHN C=CCC[C@H](CO)NCc1cc(F)cc(OC)c1 ZINC000320273546 376823609 /nfs/dbraw/zinc/82/36/09/376823609.db2.gz MIFYADDGNLRAJX-CYBMUJFWSA-N 0 3 253.317 2.251 20 30 CEEDHN C=CCC[C@@H](CO)NCc1c(C)nc2sc(C)cn12 ZINC000321530954 376829010 /nfs/dbraw/zinc/82/90/10/376829010.db2.gz YSFTXFTXHCPETG-LBPRGKRZSA-N 0 3 279.409 2.429 20 30 CEEDHN N#C[C@H]1CC[C@@H](N2CCC(Oc3cnccn3)CC2)C1 ZINC000328807583 376901802 /nfs/dbraw/zinc/90/18/02/376901802.db2.gz DNYGRRLMMKEQLS-QWHCGFSZSA-N 0 3 272.352 2.012 20 30 CEEDHN N#C[C@H]1CC[C@H](N2CCC(Oc3cnccn3)CC2)C1 ZINC000328807585 376901870 /nfs/dbraw/zinc/90/18/70/376901870.db2.gz DNYGRRLMMKEQLS-STQMWFEESA-N 0 3 272.352 2.012 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2cccc(-n3ccnn3)c2)CCN1C ZINC000328769769 376895163 /nfs/dbraw/zinc/89/51/63/376895163.db2.gz IOYMNXUOPRWPKG-TZMCWYRMSA-N 0 3 299.378 2.055 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000328885091 376916841 /nfs/dbraw/zinc/91/68/41/376916841.db2.gz NDKCUAWNFDYLQT-ZIAGYGMSSA-N 0 3 295.427 2.074 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H](C)CC(=O)N2)CN1C1CC1 ZINC000328902940 376921427 /nfs/dbraw/zinc/92/14/27/376921427.db2.gz HFFOCOPTWRFROX-NOHGZBONSA-N 0 3 279.384 2.323 20 30 CEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)c1cccc2c[nH]nc21 ZINC000329332608 376946828 /nfs/dbraw/zinc/94/68/28/376946828.db2.gz WRXQTARATILDNZ-LLVKDONJSA-N 0 3 270.336 2.104 20 30 CEEDHN CC#CCNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000290854054 376956452 /nfs/dbraw/zinc/95/64/52/376956452.db2.gz CZPULOBWCCLOTM-CQSZACIVSA-N 0 3 287.407 2.438 20 30 CEEDHN CC(C)C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN2C)CCO1 ZINC000329449274 376962390 /nfs/dbraw/zinc/96/23/90/376962390.db2.gz LHDSUDWGXVSHFS-QLFBSQMISA-N 0 3 297.443 2.178 20 30 CEEDHN N#Cc1ncccc1NC[C@@H]1CCCCN1C1CC1 ZINC000291010922 377029766 /nfs/dbraw/zinc/02/97/66/377029766.db2.gz WFPAOWSZBWWOED-ZDUSSCGKSA-N 0 3 256.353 2.382 20 30 CEEDHN C#C[C@@H](NCc1cc(C(=O)OC)c(C)n1C)C(C)(C)C ZINC000291051886 377050772 /nfs/dbraw/zinc/05/07/72/377050772.db2.gz NGXMIULREDTSLK-CQSZACIVSA-N 0 3 276.380 2.258 20 30 CEEDHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccc(C#N)cn2)C1 ZINC000291271226 377150881 /nfs/dbraw/zinc/15/08/81/377150881.db2.gz HFBIIOYWBYSIGL-OAHLLOKOSA-N 0 3 290.342 2.104 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)c2cccc(OC)c2OC)C1 ZINC000330505919 377163714 /nfs/dbraw/zinc/16/37/14/377163714.db2.gz KUOJLAWBJVTVPL-GFCCVEGCSA-N 0 3 292.379 2.493 20 30 CEEDHN C[C@H](Nc1ncc(C#N)cc1F)C1=CCN(C)CC1 ZINC000563304265 377167422 /nfs/dbraw/zinc/16/74/22/377167422.db2.gz OFOPBZHZIJLHJL-JTQLQIEISA-N 0 3 260.316 2.155 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)NCC#Cc1ccccc1 ZINC000264783812 190134399 /nfs/dbraw/zinc/13/43/99/190134399.db2.gz YWMFTHCITMMFSY-QGZVFWFLSA-N 0 3 299.418 2.212 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)Cc2ccc(C#N)cc2)C1 ZINC000330953303 377211888 /nfs/dbraw/zinc/21/18/88/377211888.db2.gz FWQBGIDQUKWAQY-UHFFFAOYSA-N 0 3 299.418 2.339 20 30 CEEDHN C=CCN1CCC(Nc2ncnc3c2ncn3C2CC2)CC1 ZINC000292298645 377237818 /nfs/dbraw/zinc/23/78/18/377237818.db2.gz AAMUWLKUDCHNEC-UHFFFAOYSA-N 0 3 298.394 2.224 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCCc1nc(-c2ccccc2)no1 ZINC000563688756 377277953 /nfs/dbraw/zinc/27/79/53/377277953.db2.gz ADXHBFBZIKJXGM-KGLIPLIRSA-N 0 3 285.347 2.212 20 30 CEEDHN C#CCOc1ccc(CN[C@@H](C)Cn2ccnc2)cc1 ZINC000264950943 190146994 /nfs/dbraw/zinc/14/69/94/190146994.db2.gz KRRTUPGCVJJWEK-AWEZNQCLSA-N 0 3 269.348 2.073 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000426211031 377395241 /nfs/dbraw/zinc/39/52/41/377395241.db2.gz QXRDNHBAQBJMPP-BFHYXJOUSA-N 0 3 265.401 2.219 20 30 CEEDHN N#Cc1cccc(CN2CCN(C3CCC3)CC2)c1 ZINC000264958773 190147780 /nfs/dbraw/zinc/14/77/80/190147780.db2.gz FGCIUSPNOXAZGQ-UHFFFAOYSA-N 0 3 255.365 2.228 20 30 CEEDHN CC(C)[C@H]1CN(C)CCN1CC#Cc1ccccc1 ZINC000425470772 377351053 /nfs/dbraw/zinc/35/10/53/377351053.db2.gz GQAQOJINSJRCJR-QGZVFWFLSA-N 0 3 256.393 2.310 20 30 CEEDHN C[C@@H]1COCCN1C1CCN(CC#Cc2ccccc2)CC1 ZINC000564583054 377412238 /nfs/dbraw/zinc/41/22/38/377412238.db2.gz DRHBHRWXMPLPHU-QGZVFWFLSA-N 0 3 298.430 2.223 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCNC(=O)C1CC1 ZINC000564809719 377460238 /nfs/dbraw/zinc/46/02/38/377460238.db2.gz FZRVRXUTVBEZEL-KRWDZBQOSA-N 0 3 297.402 2.442 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000564828574 377468817 /nfs/dbraw/zinc/46/88/17/377468817.db2.gz SJUKFVWKTMQQRY-NWDGAFQWSA-N 0 3 299.296 2.427 20 30 CEEDHN C=CCNC(=O)CN1CC[C@H](c2ccc(CC)cc2)C1 ZINC000293207184 377471807 /nfs/dbraw/zinc/47/18/07/377471807.db2.gz GCQZBILMZLLABO-INIZCTEOSA-N 0 3 272.392 2.341 20 30 CEEDHN COC(=O)[C@H]1CC12CCN(Cc1cccc(C#N)c1)CC2 ZINC000265061050 190155212 /nfs/dbraw/zinc/15/52/12/190155212.db2.gz NBIBQEHXJBDILO-OAHLLOKOSA-N 0 3 284.359 2.333 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2CC[C@@H](C)C2)CC1 ZINC000428584476 377496131 /nfs/dbraw/zinc/49/61/31/377496131.db2.gz CUTQFSXMIVFCII-HIFRSBDPSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCOc1ccc(CN[C@H](CO)CC(F)F)cc1 ZINC000428648967 377498489 /nfs/dbraw/zinc/49/84/89/377498489.db2.gz KNGLQYJONFVYFR-LBPRGKRZSA-N 0 3 271.307 2.357 20 30 CEEDHN CC#CCCN1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000428795475 377500401 /nfs/dbraw/zinc/50/04/01/377500401.db2.gz RLCJSOLTXOHIHS-KRWDZBQOSA-N 0 3 271.360 2.217 20 30 CEEDHN C#CC(C)(C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000265237999 190168571 /nfs/dbraw/zinc/16/85/71/190168571.db2.gz QRDPANDSOFXWLL-MRXNPFEDSA-N 0 3 284.403 2.427 20 30 CEEDHN C[C@H](CCN[C@@H]1CCC[C@@H]1C#N)N[C@@H]1CCC[C@@H]1C#N ZINC000332269447 377555628 /nfs/dbraw/zinc/55/56/28/377555628.db2.gz CDVRPFNUGRWVQX-OXGONZEZSA-N 0 3 274.412 2.329 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000265248144 190169065 /nfs/dbraw/zinc/16/90/65/190169065.db2.gz VTYRZAPDNQEFLR-ZDUSSCGKSA-N 0 3 288.351 2.244 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000265322948 190174613 /nfs/dbraw/zinc/17/46/13/190174613.db2.gz RBYUMHDOIAGRML-OAGJVSPASA-N 0 3 297.402 2.372 20 30 CEEDHN C=CCCCN(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000265493780 190186471 /nfs/dbraw/zinc/18/64/71/190186471.db2.gz CYSMVJBSLSPXAA-UHFFFAOYSA-N 0 3 271.364 2.072 20 30 CEEDHN C=CCNC(=O)CN1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000285464635 542215263 /nfs/dbraw/zinc/21/52/63/542215263.db2.gz AVVTUMOEVUUHJV-DZGCQCFKSA-N 0 3 258.365 2.372 20 30 CEEDHN CC[C@@H](O)[C@H](CC)NCc1ccc(C#N)cc1F ZINC000313153676 249386833 /nfs/dbraw/zinc/38/68/33/249386833.db2.gz ARRBQKCFECZFCN-UONOGXRCSA-N 0 3 250.317 2.336 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCCOC2)nc1 ZINC000565370720 377652439 /nfs/dbraw/zinc/65/24/39/377652439.db2.gz KLJMRQCQJUXOBA-GOEBONIOSA-N 0 3 271.364 2.344 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(C)noc1C ZINC000435749410 377810744 /nfs/dbraw/zinc/81/07/44/377810744.db2.gz UAZPERQXSMHYDN-GXTWGEPZSA-N 0 3 250.342 2.362 20 30 CEEDHN CC[C@@H](CNC(=O)C(C)C#N)Oc1cccc(F)c1 ZINC000439895534 377928316 /nfs/dbraw/zinc/92/83/16/377928316.db2.gz ASGYJXOESILPLN-JQWIXIFHSA-N 0 3 264.300 2.259 20 30 CEEDHN CCN(Cc1ccccc1)C(=O)CN[C@@H]1CC[C@H](C#N)C1 ZINC000442793825 377998086 /nfs/dbraw/zinc/99/80/86/377998086.db2.gz SDNZNKITWIHEEG-JKSUJKDBSA-N 0 3 285.391 2.317 20 30 CEEDHN CCS(=O)(=O)c1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000442828721 378004566 /nfs/dbraw/zinc/00/45/66/378004566.db2.gz QLDNAPCKADFMJY-KBPBESRZSA-N 0 3 292.404 2.262 20 30 CEEDHN C[C@@H]1C[C@@H](NCc2ccc(OCC#N)cc2)[C@@H](C)O1 ZINC000295181925 378046335 /nfs/dbraw/zinc/04/63/35/378046335.db2.gz MUWNJUAKJJLHIK-LALPHHSUSA-N 0 3 260.337 2.244 20 30 CEEDHN CC(C#N)C(=O)NC(C)(C)CCC(=O)OC(C)(C)C ZINC000446233116 378084804 /nfs/dbraw/zinc/08/48/04/378084804.db2.gz DXEVYPXNAKCQHP-JTQLQIEISA-N 0 3 268.357 2.163 20 30 CEEDHN C[C@H](N[C@@H]1CCOC1(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000295237720 378065649 /nfs/dbraw/zinc/06/56/49/378065649.db2.gz OZUZUCWRBKKAGH-SMDDNHRTSA-N 0 3 287.363 2.042 20 30 CEEDHN CC[C@@H]1CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000446712329 378086094 /nfs/dbraw/zinc/08/60/94/378086094.db2.gz QOKMPPRMBXHXGL-GZBFAFLISA-N 0 3 265.401 2.161 20 30 CEEDHN Cc1cc(CN(C)CCC(=O)N(C)CCC#N)ccc1F ZINC000444738912 378080256 /nfs/dbraw/zinc/08/02/56/378080256.db2.gz QTGXXNKSNMLNEJ-UHFFFAOYSA-N 0 3 291.370 2.328 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCCC2(CCCC2)C1 ZINC000445868708 378082509 /nfs/dbraw/zinc/08/25/09/378082509.db2.gz JAOZQAJZLWWXLF-UHFFFAOYSA-N 0 3 277.412 2.405 20 30 CEEDHN CCOC(=O)c1cc(CNCC2(CC#N)CC2)[nH]c1C ZINC000449298840 378200485 /nfs/dbraw/zinc/20/04/85/378200485.db2.gz JKQOATJNGZPIQE-UHFFFAOYSA-N 0 3 275.352 2.283 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CCNC(=O)CC1 ZINC000295556875 378210816 /nfs/dbraw/zinc/21/08/16/378210816.db2.gz PZPFDKXHQHVLIG-HNNXBMFYSA-N 0 3 297.402 2.463 20 30 CEEDHN C=CCC1(C(=O)NCCCN(C)CCOC)CCCC1 ZINC000449562881 378216318 /nfs/dbraw/zinc/21/63/18/378216318.db2.gz OXUSTGWETHWLSM-UHFFFAOYSA-N 0 3 282.428 2.207 20 30 CEEDHN C[C@H]1C[C@]1(C#N)C(=O)NCCCN(C)Cc1ccccc1 ZINC000448607815 378175188 /nfs/dbraw/zinc/17/51/88/378175188.db2.gz ZOJAOYRQDCIZPY-WMLDXEAASA-N 0 3 285.391 2.174 20 30 CEEDHN C=CCC[C@H](CO)NCc1cnc2c(cnn2C(C)C)c1 ZINC000449698863 378222027 /nfs/dbraw/zinc/22/20/27/378222027.db2.gz PMRHAYCMQLNHBW-OAHLLOKOSA-N 0 3 288.395 2.429 20 30 CEEDHN CCCN(CCN1CCCCC1)c1nccc(C#N)n1 ZINC000295730619 378281149 /nfs/dbraw/zinc/28/11/49/378281149.db2.gz VXVOFWCYIPLVAW-UHFFFAOYSA-N 0 3 273.384 2.051 20 30 CEEDHN CC#CCCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000450477816 378438920 /nfs/dbraw/zinc/43/89/20/378438920.db2.gz YFQGOUOLCYABIZ-HNNXBMFYSA-N 0 3 262.397 2.313 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(CC)Cc1ccccc1 ZINC000296756663 378639264 /nfs/dbraw/zinc/63/92/64/378639264.db2.gz FNRVHTBPHZIFTG-UHFFFAOYSA-N 0 3 287.407 2.173 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2cnccc2Cl)CC1 ZINC000298013475 378691658 /nfs/dbraw/zinc/69/16/58/378691658.db2.gz BLAOJIFUBMYPCH-UHFFFAOYSA-N 0 3 293.798 2.044 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CSC[C@H]1C ZINC000507246588 379099711 /nfs/dbraw/zinc/09/97/11/379099711.db2.gz JPCUOJPGPXCESG-FRRDWIJNSA-N 0 3 270.442 2.141 20 30 CEEDHN C=CCC(C)(C)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000507570862 379105995 /nfs/dbraw/zinc/10/59/95/379105995.db2.gz UEMBNENMKGVMLX-CQSZACIVSA-N 0 3 282.428 2.206 20 30 CEEDHN Cc1ccc([C@H](CNc2nccnc2C#N)N(C)C)cc1 ZINC000301155985 379206387 /nfs/dbraw/zinc/20/63/87/379206387.db2.gz FYBGNZWTEFSHMM-HNNXBMFYSA-N 0 3 281.363 2.372 20 30 CEEDHN C[C@@H]1CCCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000517147171 379345949 /nfs/dbraw/zinc/34/59/49/379345949.db2.gz XTKFBZCJUSNLSB-GFCCVEGCSA-N 0 3 269.352 2.365 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)NCC#Cc2ccccc2)CCN1C ZINC000266694195 190275936 /nfs/dbraw/zinc/27/59/36/190275936.db2.gz UYUMULHDBZJTCZ-WBVHZDCISA-N 0 3 299.418 2.162 20 30 CEEDHN C=CCNC(=O)CN1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000266924690 190291387 /nfs/dbraw/zinc/29/13/87/190291387.db2.gz JQGDYCRMANRKLC-GDBMZVCRSA-N 0 3 272.392 2.242 20 30 CEEDHN C[C@@H]1CCN(CCNC(=O)Nc2cccc(C#N)c2)C1 ZINC000525800551 379671281 /nfs/dbraw/zinc/67/12/81/379671281.db2.gz MXKIZGWPNXQVGC-GFCCVEGCSA-N 0 3 272.352 2.022 20 30 CEEDHN N#Cc1ccc(NCCN2CCc3ccccc3C2)cn1 ZINC000267337216 190322013 /nfs/dbraw/zinc/32/20/13/190322013.db2.gz CQVJTRSWYGCZLK-UHFFFAOYSA-N 0 3 278.359 2.423 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C2\CC[C@H](C)C2)CC1 ZINC000267898068 190361483 /nfs/dbraw/zinc/36/14/83/190361483.db2.gz ZBUGSJRJEWKDHD-REQDGWNSSA-N 0 3 262.397 2.499 20 30 CEEDHN CC(C)[C@@H]1CN(CC#Cc2ccccc2)CCN1C ZINC000487976674 380091053 /nfs/dbraw/zinc/09/10/53/380091053.db2.gz ZPVUBKOZHFNOTK-KRWDZBQOSA-N 0 3 256.393 2.310 20 30 CEEDHN C[C@H]1C[C@H]1CN1CCN(c2ccccc2C#N)CC1 ZINC000488302772 380091786 /nfs/dbraw/zinc/09/17/86/380091786.db2.gz VVNMAYBICMLTJU-ZFWWWQNUSA-N 0 3 255.365 2.336 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000529715462 380185094 /nfs/dbraw/zinc/18/50/94/380185094.db2.gz HTRPHMLHYDANLD-GDBMZVCRSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000489053067 380158465 /nfs/dbraw/zinc/15/84/65/380158465.db2.gz VGIHCHRSQBFXBA-KBPBESRZSA-N 0 3 275.396 2.133 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C\c2ccc(C#N)cc2)CC1 ZINC000491546898 380329846 /nfs/dbraw/zinc/32/98/46/380329846.db2.gz MNJIHWUKXLYLOG-FPLPWBNLSA-N 0 3 295.386 2.338 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)N1CCC(CC#N)CC1 ZINC000541981808 380292850 /nfs/dbraw/zinc/29/28/50/380292850.db2.gz UVLLMQJUYIDGAC-CQSZACIVSA-N 0 3 263.385 2.013 20 30 CEEDHN Cc1c(Cl)cnc(NCC2=CCN(C)CC2)c1C#N ZINC000542280525 380304236 /nfs/dbraw/zinc/30/42/36/380304236.db2.gz XUZCJOQHIAUOBK-UHFFFAOYSA-N 0 3 276.771 2.011 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC2(COC(=O)N2)CC1 ZINC000492257500 380496189 /nfs/dbraw/zinc/49/61/89/380496189.db2.gz IURNWGRXAYJZLE-GFCCVEGCSA-N 0 3 285.347 2.194 20 30 CEEDHN CC(C#N)C(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000492819763 380700363 /nfs/dbraw/zinc/70/03/63/380700363.db2.gz QKBQNYGUQCADEJ-RYUDHWBXSA-N 0 3 295.383 2.052 20 30 CEEDHN CCNc1ccc(C#N)cc1NC(=O)/C=C\CN(C)C ZINC000492928244 380733058 /nfs/dbraw/zinc/73/30/58/380733058.db2.gz NUZDWUWGNQENKC-WAYWQWQTSA-N 0 3 272.352 2.046 20 30 CEEDHN N#Cc1cnn2cc(CNCCc3ccccc3F)cnc12 ZINC000555553206 380833098 /nfs/dbraw/zinc/83/30/98/380833098.db2.gz DCCLFDVMBCMJRQ-UHFFFAOYSA-N 0 3 295.321 2.072 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000334761074 207033380 /nfs/dbraw/zinc/03/33/80/207033380.db2.gz YPPYIFYLVDELDF-CQSZACIVSA-N 0 3 289.354 2.252 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)NCCN(C)CCCC ZINC000495037607 381166809 /nfs/dbraw/zinc/16/68/09/381166809.db2.gz RVCMKSXSDUBTDP-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495738957 381182969 /nfs/dbraw/zinc/18/29/69/381182969.db2.gz NSVLROZPHYQFTR-OLZOCXBDSA-N 0 3 266.385 2.387 20 30 CEEDHN C=CCOCCCN1CCCC[C@@H]1COC(=O)NCC ZINC000495814268 381187559 /nfs/dbraw/zinc/18/75/59/381187559.db2.gz NHKKCVTZWJWQFF-CQSZACIVSA-N 0 3 284.400 2.180 20 30 CEEDHN C=C(C)CN(CC)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000497029177 381238459 /nfs/dbraw/zinc/23/84/59/381238459.db2.gz ZLKNBLQHGCKWSV-CYBMUJFWSA-N 0 3 286.416 2.112 20 30 CEEDHN C=CCN1CCC(NC(=O)c2coc(C3CCC3)n2)CC1 ZINC000192533080 542349236 /nfs/dbraw/zinc/34/92/36/542349236.db2.gz HKDIFQUKLIJBLS-UHFFFAOYSA-N 0 3 289.379 2.322 20 30 CEEDHN N#Cc1cccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)c1 ZINC000335323614 208188662 /nfs/dbraw/zinc/18/86/62/208188662.db2.gz IRFVGCPEHHFRIQ-MRXNPFEDSA-N 0 3 283.375 2.259 20 30 CEEDHN CC#CCCN1CC[C@H](OCc2c(C)noc2C)C1 ZINC000364036468 262112427 /nfs/dbraw/zinc/11/24/27/262112427.db2.gz QUPFIYOAIWLAQL-AWEZNQCLSA-N 0 3 262.353 2.296 20 30 CEEDHN CC(C#N)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000335976703 533112272 /nfs/dbraw/zinc/11/22/72/533112272.db2.gz RDIZYTHEPXKURH-GXFFZTMASA-N 0 3 278.739 2.400 20 30 CEEDHN CCC[C@@]1(CO)CCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000288648106 197136730 /nfs/dbraw/zinc/13/67/30/197136730.db2.gz AZEAANNQQFKBLH-IAGOWNOFSA-N 0 3 288.391 2.076 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NC[C@@H]2COc3ccccc3O2)C1 ZINC000447508664 260028849 /nfs/dbraw/zinc/02/88/49/260028849.db2.gz CMXHJERPWCBILJ-MGPQQGTHSA-N 0 3 272.348 2.498 20 30 CEEDHN CO[C@@H]1CCN(CCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000281650552 195322925 /nfs/dbraw/zinc/32/29/25/195322925.db2.gz JUHFOFBDFOETLH-UKRRQHHQSA-N 0 3 274.364 2.436 20 30 CEEDHN COc1cc(CN[C@H]2CCCc3cn[nH]c32)ccc1C#N ZINC000281752452 195365222 /nfs/dbraw/zinc/36/52/22/195365222.db2.gz RDRRJNIEXPJONU-AWEZNQCLSA-N 0 3 282.347 2.457 20 30 CEEDHN COC(=O)[C@]1(C)CCCN(Cc2ccc(C#N)cc2)C1 ZINC000412104384 533590476 /nfs/dbraw/zinc/59/04/76/533590476.db2.gz NHSYLEHWUOQLBS-MRXNPFEDSA-N 0 3 272.348 2.333 20 30 CEEDHN CO[C@@]1(C)C[C@@H](NCc2cc(C#N)n(C)c2)C1(C)C ZINC000191257529 130210002 /nfs/dbraw/zinc/21/00/02/130210002.db2.gz PYDPDIPKGZZXQI-HIFRSBDPSA-N 0 3 261.369 2.190 20 30 CEEDHN C[C@H](CC[S@@](C)=O)N[C@H](C)c1cccc(C#N)c1 ZINC000252745107 131138268 /nfs/dbraw/zinc/13/82/68/131138268.db2.gz UCSYKNGCUTXQGW-SEDUGSJDSA-N 0 3 264.394 2.366 20 30 CEEDHN CN(C)[C@@H](CNC(=O)CSCCC#N)c1ccccc1 ZINC000413014805 394461558 /nfs/dbraw/zinc/46/15/58/394461558.db2.gz RAWCRDSLRPTLPH-AWEZNQCLSA-N 0 3 291.420 2.052 20 30 CEEDHN C=CCCC1(C(=O)NC2CCN(CC=C)CC2)CC1 ZINC000355662883 394493323 /nfs/dbraw/zinc/49/33/23/394493323.db2.gz QUIABGYANNPJEC-UHFFFAOYSA-N 0 3 262.397 2.499 20 30 CEEDHN Cc1cc(CCNCc2ccc(C#N)c(F)c2)on1 ZINC000421359340 394509522 /nfs/dbraw/zinc/50/95/22/394509522.db2.gz WPLVOWCDJVFOPR-UHFFFAOYSA-N 0 3 259.284 2.326 20 30 CEEDHN CC[C@H](C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000421598377 394558836 /nfs/dbraw/zinc/55/88/36/394558836.db2.gz ZYFHWRLGIVWAFR-SWLSCSKDSA-N 0 3 269.348 2.403 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1)n1cccn1 ZINC000329009286 394559534 /nfs/dbraw/zinc/55/95/34/394559534.db2.gz ZZSYCKGZHJRAHL-VNQPRFMTSA-N 0 3 298.390 2.498 20 30 CEEDHN C=CCCC1(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000356199807 394559785 /nfs/dbraw/zinc/55/97/85/394559785.db2.gz ORHYLZQLMGFECO-QWHCGFSZSA-N 0 3 250.386 2.332 20 30 CEEDHN N#Cc1cc([N+](=O)[O-])ccc1N1CCCN(C2CC2)CC1 ZINC000057857785 394564102 /nfs/dbraw/zinc/56/41/02/394564102.db2.gz PIBXQFHMGDGIMK-UHFFFAOYSA-N 0 3 286.335 2.141 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)c2ncc(C#N)cc2F)C1 ZINC000413315759 394525033 /nfs/dbraw/zinc/52/50/33/394525033.db2.gz KQYZLVZBSLESNM-GFCCVEGCSA-N 0 3 262.332 2.011 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000248830106 394548140 /nfs/dbraw/zinc/54/81/40/394548140.db2.gz MJJSPDHRHDSSCV-IJEWVQPXSA-N 0 3 283.375 2.464 20 30 CEEDHN CCc1nn(C)cc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000329937706 394596457 /nfs/dbraw/zinc/59/64/57/394596457.db2.gz DRZITJQXCMDCMY-CYBMUJFWSA-N 0 3 290.411 2.304 20 30 CEEDHN CC[C@@H](C)N(C)C([O-])=[NH+]CCCn1ccnc1C ZINC000330455852 394611848 /nfs/dbraw/zinc/61/18/48/394611848.db2.gz XBKNHCAJUBVAOI-LLVKDONJSA-N 0 3 252.362 2.226 20 30 CEEDHN CC[C@@H](C(=O)NC1(C#N)CCCC1)N(CC)CC ZINC000330480115 394614563 /nfs/dbraw/zinc/61/45/63/394614563.db2.gz MWKUCVICIYVHNP-LBPRGKRZSA-N 0 3 251.374 2.059 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)c2cn(C)nc2C(C)C)C1 ZINC000330538243 394617893 /nfs/dbraw/zinc/61/78/93/394617893.db2.gz LEYZAWQZJZERRQ-GFCCVEGCSA-N 0 3 278.400 2.332 20 30 CEEDHN CCCCNC(=O)NC(=O)CN1CCC[C@@H]1C(C)(C)C ZINC000330619351 394622782 /nfs/dbraw/zinc/62/27/82/394622782.db2.gz IKNLOHJDAIYODZ-GFCCVEGCSA-N 0 3 283.416 2.327 20 30 CEEDHN C[C@@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)N(C)C ZINC000263676383 394630563 /nfs/dbraw/zinc/63/05/63/394630563.db2.gz LJKSBCFNUWSLDV-NSHDSACASA-N 0 3 291.399 2.186 20 30 CEEDHN C=CCCCC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000359182752 394744230 /nfs/dbraw/zinc/74/42/30/394744230.db2.gz CHGVPFSRWNTUBT-CQSZACIVSA-N 0 3 250.386 2.430 20 30 CEEDHN CCN(CC)C(=[NH2+])NCc1c([O-])ccc2c1CCCC2 ZINC000267460849 394680132 /nfs/dbraw/zinc/68/01/32/394680132.db2.gz VAQZMCZHQOUYKZ-UHFFFAOYSA-N 0 3 275.396 2.428 20 30 CEEDHN C=C1CCN(Cc2ccc(-n3cncn3)cc2)CC1 ZINC000334413248 394683102 /nfs/dbraw/zinc/68/31/02/394683102.db2.gz VPYFVOJLPJHBNI-UHFFFAOYSA-N 0 3 254.337 2.419 20 30 CEEDHN COc1cc2c(cc1F)CC[C@@H]2NC(=O)C(C)C#N ZINC000334430719 394684770 /nfs/dbraw/zinc/68/47/70/394684770.db2.gz JSMXNJLSLASPKA-UFBFGSQYSA-N 0 3 262.284 2.097 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CCC1 ZINC000359299842 394746072 /nfs/dbraw/zinc/74/60/72/394746072.db2.gz HHEWTBILTVZXFE-OLZOCXBDSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2Cc3ccccc32)CC1 ZINC000359413887 394752427 /nfs/dbraw/zinc/75/24/27/394752427.db2.gz PKCSPRFROIZPRX-MRXNPFEDSA-N 0 3 270.376 2.093 20 30 CEEDHN Cc1nc([C@H]2CCCN(Cc3ccc(C#N)s3)C2)n[nH]1 ZINC000271386374 394755864 /nfs/dbraw/zinc/75/58/64/394755864.db2.gz SGOYROOWPWHESH-NSHDSACASA-N 0 3 287.392 2.426 20 30 CEEDHN Cc1n[nH]c([C@H]2CCCN(Cc3ccc(C#N)s3)C2)n1 ZINC000271386374 394755869 /nfs/dbraw/zinc/75/58/69/394755869.db2.gz SGOYROOWPWHESH-NSHDSACASA-N 0 3 287.392 2.426 20 30 CEEDHN Cc1nnc([C@H]2CCCN(Cc3ccc(C#N)s3)C2)[nH]1 ZINC000271386374 394755873 /nfs/dbraw/zinc/75/58/73/394755873.db2.gz SGOYROOWPWHESH-NSHDSACASA-N 0 3 287.392 2.426 20 30 CEEDHN CC#CCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000359467898 394756039 /nfs/dbraw/zinc/75/60/39/394756039.db2.gz NCWZNBUHJGLFQB-GOEBONIOSA-N 0 3 287.407 2.309 20 30 CEEDHN C#CC[C@@H](NCCC(=O)N(C)CCC#N)c1ccccc1 ZINC000271734835 394762448 /nfs/dbraw/zinc/76/24/48/394762448.db2.gz TVSDZZFJDRTSFA-MRXNPFEDSA-N 0 3 283.375 2.103 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)C2(C#N)CCCC2)C1 ZINC000335577498 394776879 /nfs/dbraw/zinc/77/68/79/394776879.db2.gz DZLFWIWDAATECZ-ZDUSSCGKSA-N 0 3 263.385 2.011 20 30 CEEDHN Cc1ccc(C)c(N2CCN(C(=O)C(C)C#N)CC2)c1 ZINC000335752493 394796750 /nfs/dbraw/zinc/79/67/50/394796750.db2.gz HYWIWPKWHZOPBC-AWEZNQCLSA-N 0 3 271.364 2.112 20 30 CEEDHN C=C(C)CN(CC)C(=O)NCC1(SC)CCN(C)CC1 ZINC000360687095 394805830 /nfs/dbraw/zinc/80/58/30/394805830.db2.gz AKXUNQPJLUDUGT-UHFFFAOYSA-N 0 3 299.484 2.421 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000360942935 394811451 /nfs/dbraw/zinc/81/14/51/394811451.db2.gz SPTQRYBIABANAO-NUEKZKHPSA-N 0 3 294.439 2.156 20 30 CEEDHN Cn1cc(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1C#N ZINC000276805900 394815503 /nfs/dbraw/zinc/81/55/03/394815503.db2.gz WQUSEYFXBQMKDJ-HUUCEWRRSA-N 0 3 275.396 2.126 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)c2ccc(F)c(C#N)c2)C1 ZINC000278774468 394834785 /nfs/dbraw/zinc/83/47/85/394834785.db2.gz GYOTVIHKRXRITH-GFCCVEGCSA-N 0 3 289.354 2.159 20 30 CEEDHN CC(C)N1CCCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000336246970 394836420 /nfs/dbraw/zinc/83/64/20/394836420.db2.gz MSONOMDFNAHAGF-KRWDZBQOSA-N 0 3 289.423 2.403 20 30 CEEDHN C=C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000362378100 394857328 /nfs/dbraw/zinc/85/73/28/394857328.db2.gz BKTOYSUYRRPNBO-ZFWWWQNUSA-N 0 3 273.380 2.135 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)C1CCOCC1 ZINC000130408592 394887622 /nfs/dbraw/zinc/88/76/22/394887622.db2.gz BYTJZYSXUVQYEZ-UHFFFAOYSA-N 0 3 260.337 2.178 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)NCC(C)C ZINC000285134416 394953287 /nfs/dbraw/zinc/95/32/87/394953287.db2.gz OCVHGACLCBIQFE-DOTOQJQBSA-N 0 3 286.419 2.371 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC000338118110 394906195 /nfs/dbraw/zinc/90/61/95/394906195.db2.gz MAYYLPUASBLVLT-RYUDHWBXSA-N 0 3 272.339 2.044 20 30 CEEDHN C=C(C)CCN1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000338327425 394914314 /nfs/dbraw/zinc/91/43/14/394914314.db2.gz WBUGDKXVMFSYED-GFCCVEGCSA-N 0 3 264.373 2.281 20 30 CEEDHN C[C@H](C#N)CN(C(=O)CN1[C@H](C)CC[C@H]1C)C1CC1 ZINC000338347840 394915731 /nfs/dbraw/zinc/91/57/31/394915731.db2.gz MEAXPFZSVQEAHH-JHJVBQTASA-N 0 3 263.385 2.010 20 30 CEEDHN COC(=O)[C@]1(C)CN(CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000282311021 394916092 /nfs/dbraw/zinc/91/60/92/394916092.db2.gz GZZSCICFIHNWMI-CXAGYDPISA-N 0 3 289.350 2.308 20 30 CEEDHN CCCCN1CCCC[C@H]1CNC(=O)CSCC#N ZINC000338446543 394919879 /nfs/dbraw/zinc/91/98/79/394919879.db2.gz KBMNMAIQUUQMFW-ZDUSSCGKSA-N 0 3 283.441 2.014 20 30 CEEDHN C#CCN(CCc1ccnn1C)Cc1ccccc1 ZINC000285485885 394957386 /nfs/dbraw/zinc/95/73/86/394957386.db2.gz CAINSJASFFHLAL-UHFFFAOYSA-N 0 3 253.349 2.098 20 30 CEEDHN C=CCOCCN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000339028080 394937619 /nfs/dbraw/zinc/93/76/19/394937619.db2.gz IZLHPBVEOOVCMM-UHFFFAOYSA-N 0 3 294.439 2.350 20 30 CEEDHN C#CC[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC000283973107 394939875 /nfs/dbraw/zinc/93/98/75/394939875.db2.gz FJJGULUUCDHVFF-GOEBONIOSA-N 0 3 291.416 2.165 20 30 CEEDHN C=CCN1CCC(NC(=O)c2c(C)coc2C)CC1 ZINC000284007619 394940671 /nfs/dbraw/zinc/94/06/71/394940671.db2.gz NWBWCJQGHSPENI-UHFFFAOYSA-N 0 3 262.353 2.277 20 30 CEEDHN C=CCOCCN[C@H](c1cnn(C)c1)C(C)(C)C ZINC000339077924 394940830 /nfs/dbraw/zinc/94/08/30/394940830.db2.gz ZAIPQYDATLKEOS-CYBMUJFWSA-N 0 3 251.374 2.300 20 30 CEEDHN Cc1ccsc1[C@H](CO)N[C@H]1CC[C@H](C#N)C1 ZINC000339092998 394942242 /nfs/dbraw/zinc/94/22/42/394942242.db2.gz ZWZDIGHEFGRBIK-SRVKXCTJSA-N 0 3 250.367 2.372 20 30 CEEDHN C#CCSCCNCc1cnc(C(C)(C)C)nc1 ZINC000284455822 394945478 /nfs/dbraw/zinc/94/54/78/394945478.db2.gz URMHZWGDPARYFI-UHFFFAOYSA-N 0 3 263.410 2.230 20 30 CEEDHN Fc1ccc(C#CCN2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000366792504 394952504 /nfs/dbraw/zinc/95/25/04/394952504.db2.gz RWWLWBKJPMXDAK-GOEBONIOSA-N 0 3 259.324 2.288 20 30 CEEDHN C=CCOc1ccc(CNC(=O)CN(C)C(C)C)cc1 ZINC000285947286 394989079 /nfs/dbraw/zinc/98/90/79/394989079.db2.gz NHHNLBGWMQBTFG-UHFFFAOYSA-N 0 3 276.380 2.208 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H]1CCC[C@H]1CCO ZINC000285959026 394991259 /nfs/dbraw/zinc/99/12/59/394991259.db2.gz DFTXZHLTRWUAIZ-ZFWWWQNUSA-N 0 3 274.364 2.208 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000342964271 395027743 /nfs/dbraw/zinc/02/77/43/395027743.db2.gz IMCGHGCDIAFERM-ZFWWWQNUSA-N 0 3 299.484 2.468 20 30 CEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1cnccc1C#N ZINC000286288496 395018195 /nfs/dbraw/zinc/01/81/95/395018195.db2.gz IPLFEGYTIZDXNV-GXTWGEPZSA-N 0 3 256.353 2.016 20 30 CEEDHN C=CCC[C@H](NCCCS(C)(=O)=O)c1ccco1 ZINC000286351183 395020736 /nfs/dbraw/zinc/02/07/36/395020736.db2.gz YTOSFRRYWRTGPC-LBPRGKRZSA-N 0 3 271.382 2.311 20 30 CEEDHN C[C@H](CC#N)N(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC000155805049 395030046 /nfs/dbraw/zinc/03/00/46/395030046.db2.gz SSRSBFXMAZSOAL-CHWSQXEVSA-N 0 3 251.374 2.011 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC2(CC(OCC)C2)C1 ZINC000367587527 394966123 /nfs/dbraw/zinc/96/61/23/394966123.db2.gz SKJYWHLLSJTLFS-UHFFFAOYSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](CC2CC2)C1 ZINC000339678398 394967311 /nfs/dbraw/zinc/96/73/11/394967311.db2.gz NERMUTDMHWHYGW-HNNXBMFYSA-N 0 3 262.397 2.309 20 30 CEEDHN CC(C)(C)[C@@H](C#N)NC(=O)CCN1CCc2ccccc2C1 ZINC000416172961 395026541 /nfs/dbraw/zinc/02/65/41/395026541.db2.gz ZJEZSRWOYUJLND-MRXNPFEDSA-N 0 3 299.418 2.489 20 30 CEEDHN CNCc1cccc(NC(=O)N(C)CC(C)(C)C#N)c1 ZINC000415926123 394979842 /nfs/dbraw/zinc/97/98/42/394979842.db2.gz CNOGBAHBMVREJB-UHFFFAOYSA-N 0 3 274.368 2.419 20 30 CEEDHN C#CCC(CC#C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000287720462 395046343 /nfs/dbraw/zinc/04/63/43/395046343.db2.gz DVVXQEDXCMZCHQ-YJBOKZPZSA-N 0 3 296.414 2.457 20 30 CEEDHN CC(C)N(C)CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416337974 395054854 /nfs/dbraw/zinc/05/48/54/395054854.db2.gz BOQKKGGNJLDCED-MRXNPFEDSA-N 0 3 285.391 2.392 20 30 CEEDHN C#CCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000288167006 395054995 /nfs/dbraw/zinc/05/49/95/395054995.db2.gz OXHBYICYRCIBRZ-ZFWWWQNUSA-N 0 3 273.380 2.000 20 30 CEEDHN CC#CCN1CCC(C(=O)NCCCCC)CC1 ZINC000159214548 395057752 /nfs/dbraw/zinc/05/77/52/395057752.db2.gz DNZRLTXUINNTAP-UHFFFAOYSA-N 0 3 250.386 2.028 20 30 CEEDHN CC#CCN1CCC(C(=O)Nc2cccc(C)n2)CC1 ZINC000159374311 395058133 /nfs/dbraw/zinc/05/81/33/395058133.db2.gz CVAWLOCMTGYCBY-UHFFFAOYSA-N 0 3 271.364 2.064 20 30 CEEDHN CC(C)NC(=O)CCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425534403 395061231 /nfs/dbraw/zinc/06/12/31/395061231.db2.gz LYINQFKQNLGCMD-ZDUSSCGKSA-N 0 3 273.380 2.466 20 30 CEEDHN CCN1C[C@H](C)N(c2ccc(C)c(C#N)n2)C[C@H]1C ZINC000345110962 395062982 /nfs/dbraw/zinc/06/29/82/395062982.db2.gz KCEXVNVCQYHKIY-OLZOCXBDSA-N 0 3 258.369 2.181 20 30 CEEDHN CC#CCN1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000288885452 395067205 /nfs/dbraw/zinc/06/72/05/395067205.db2.gz RJVIEZRINNOBCH-INIZCTEOSA-N 0 3 261.340 2.076 20 30 CEEDHN C#Cc1ccc(CN2CCC(n3cncn3)CC2)cc1 ZINC000373902896 395068257 /nfs/dbraw/zinc/06/82/57/395068257.db2.gz AYLSVMWVYWTSGP-UHFFFAOYSA-N 0 3 266.348 2.097 20 30 CEEDHN CO[C@@H](CNC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000345609556 395070930 /nfs/dbraw/zinc/07/09/30/395070930.db2.gz IQSILLYQFVOPEH-CABZTGNLSA-N 0 3 266.728 2.303 20 30 CEEDHN CC(C#N)C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000345770755 395076301 /nfs/dbraw/zinc/07/63/01/395076301.db2.gz VJTOGVBZAHZSGW-JTQLQIEISA-N 0 3 277.393 2.230 20 30 CEEDHN Cc1cccc(CN(CCN(C)C)C(=O)[C@@H](C)C#N)c1 ZINC000345843900 395079891 /nfs/dbraw/zinc/07/98/91/395079891.db2.gz GITGQNFZEBZBSE-AWEZNQCLSA-N 0 3 273.380 2.045 20 30 CEEDHN C=C[C@@H](CO)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000289600340 395081229 /nfs/dbraw/zinc/08/12/29/395081229.db2.gz CODODHYXUJOXJQ-WCQYABFASA-N 0 3 250.298 2.182 20 30 CEEDHN C=C[C@H](CO)N[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000289645455 395082688 /nfs/dbraw/zinc/08/26/88/395082688.db2.gz FYLUHNANQSSWSZ-CHWSQXEVSA-N 0 3 263.337 2.045 20 30 CEEDHN C=CCN1CCC(NC(=O)CCc2nc(C)cs2)CC1 ZINC000345928992 395082853 /nfs/dbraw/zinc/08/28/53/395082853.db2.gz KUJCMZRCMLTXKL-UHFFFAOYSA-N 0 3 293.436 2.151 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000289705613 395083970 /nfs/dbraw/zinc/08/39/70/395083970.db2.gz IWRONXHYGLJHAN-KBPBESRZSA-N 0 3 276.380 2.157 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)CN(C)C1CC1 ZINC000289715536 395084645 /nfs/dbraw/zinc/08/46/45/395084645.db2.gz GNDXGOVFIAKKQT-GOSISDBHSA-N 0 3 299.418 2.001 20 30 CEEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000289784850 395086419 /nfs/dbraw/zinc/08/64/19/395086419.db2.gz MWUKOTJXHMLXJR-GXTWGEPZSA-N 0 3 257.337 2.070 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](CC)Cc2ccccc2)CC1 ZINC000170815820 395093001 /nfs/dbraw/zinc/09/30/01/395093001.db2.gz RURIBNKLBBHVSO-SFHVURJKSA-N 0 3 298.430 2.469 20 30 CEEDHN C#Cc1ccc(CNCCC(=O)N[C@@H](C)CC)cc1 ZINC000290097281 395094266 /nfs/dbraw/zinc/09/42/66/395094266.db2.gz NDRCRTUSHAAHRM-ZDUSSCGKSA-N 0 3 258.365 2.062 20 30 CEEDHN C=C[C@@](C)(O)CC(=O)Nc1ccc(C)cc1CN(C)C ZINC000346304947 395094688 /nfs/dbraw/zinc/09/46/88/395094688.db2.gz NEXLLOGSHKHLCF-MRXNPFEDSA-N 0 3 276.380 2.322 20 30 CEEDHN CCn1cc(CNC(=O)C(C#N)CCc2ccccc2)cn1 ZINC000343129955 395031888 /nfs/dbraw/zinc/03/18/88/395031888.db2.gz NKCHXDQPSFQELI-INIZCTEOSA-N 0 3 296.374 2.292 20 30 CEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)C#Cc1ccccc1 ZINC000287037604 395033190 /nfs/dbraw/zinc/03/31/90/395033190.db2.gz ISOUNLLBXLGODI-RDJZCZTQSA-N 0 3 282.387 2.123 20 30 CEEDHN C[C@H](C#N)CN(C)C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000343151101 395033650 /nfs/dbraw/zinc/03/36/50/395033650.db2.gz GFVXYSWWCQNRED-HIFRSBDPSA-N 0 3 277.412 2.402 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H](C)CF)C(C)C ZINC000287244188 395036558 /nfs/dbraw/zinc/03/65/58/395036558.db2.gz SPQFKXGAMQBGQD-KGLIPLIRSA-N 0 3 285.407 2.342 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C(C)C)N(C)C ZINC000287326593 395038081 /nfs/dbraw/zinc/03/80/81/395038081.db2.gz OCIFGBMRCWFWFE-DLBZAZTESA-N 0 3 286.419 2.323 20 30 CEEDHN N#Cc1cccc(Cl)c1N1CCN2CCC[C@@H]2C1 ZINC000173747427 395115666 /nfs/dbraw/zinc/11/56/66/395115666.db2.gz QITGMHZURRYLOB-GFCCVEGCSA-N 0 3 261.756 2.496 20 30 CEEDHN C=CCN1CCC(NC(=O)NC23CCC(CC2)C3)CC1 ZINC000376356351 395117765 /nfs/dbraw/zinc/11/77/65/395117765.db2.gz VJINOIRHODWMQH-UHFFFAOYSA-N 0 3 277.412 2.269 20 30 CEEDHN CN(C)C[C@@H](Cc1ccccc1)NCc1ccc(C#N)o1 ZINC000174295093 395122804 /nfs/dbraw/zinc/12/28/04/395122804.db2.gz GVDMEWNVVFAOEN-OAHLLOKOSA-N 0 3 283.375 2.414 20 30 CEEDHN CO[C@H](C)[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000427598848 395123547 /nfs/dbraw/zinc/12/35/47/395123547.db2.gz JKDGRCYQNHELOK-UMVBOHGHSA-N 0 3 274.364 2.299 20 30 CEEDHN N#CCCCN[C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000346809792 395108118 /nfs/dbraw/zinc/10/81/18/395108118.db2.gz FVSMPIWCKPLXJT-LBPRGKRZSA-N 0 3 261.300 2.492 20 30 CEEDHN N#Cc1ccc(N2CCN([C@H]3CCSC3)CC2)cc1 ZINC000378111942 395151433 /nfs/dbraw/zinc/15/14/33/395151433.db2.gz NVPSSQQDTNOXHO-HNNXBMFYSA-N 0 3 273.405 2.186 20 30 CEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(C#N)o1 ZINC000429813496 395158551 /nfs/dbraw/zinc/15/85/51/395158551.db2.gz WLHYJTQEVPGTAP-UPJWGTAASA-N 0 3 289.379 2.247 20 30 CEEDHN CCN(CC)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000291686019 395153966 /nfs/dbraw/zinc/15/39/66/395153966.db2.gz JJEHCJHOBNVSSK-CQSZACIVSA-N 0 3 257.337 2.005 20 30 CEEDHN CC1=C[C@@H](C)CN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000430266174 395164250 /nfs/dbraw/zinc/16/42/50/395164250.db2.gz GOIWPDHPDSYTRV-CZUORRHYSA-N 0 3 286.375 2.196 20 30 CEEDHN N#Cc1ccc(CN(CCO)C2CCSCC2)c(F)c1 ZINC000439009096 395244071 /nfs/dbraw/zinc/24/40/71/395244071.db2.gz XNULEGMBFMOFPU-UHFFFAOYSA-N 0 3 294.395 2.387 20 30 CEEDHN N#Cc1ccc(NCC2CCN(c3ccncc3)CC2)nn1 ZINC000180046328 395199769 /nfs/dbraw/zinc/19/97/69/395199769.db2.gz RSSVNTXPRMCWHW-UHFFFAOYSA-N 0 3 294.362 2.072 20 30 CEEDHN CC1(C)OC[C@H]2C[C@]21NCc1ccc(C#N)c(F)c1 ZINC000527766301 395280483 /nfs/dbraw/zinc/28/04/83/395280483.db2.gz YYBPXMMNGPXFIZ-DOMZBBRYSA-N 0 3 260.312 2.354 20 30 CEEDHN C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3(C)C)CCN1 ZINC000420183724 395283516 /nfs/dbraw/zinc/28/35/16/395283516.db2.gz AEHWXZVYPMOHAC-GFCCVEGCSA-N 0 3 284.407 2.365 20 30 CEEDHN N#Cc1ccnc(NC[C@H]2CCN2C2CCCC2)c1 ZINC000528209912 395287742 /nfs/dbraw/zinc/28/77/42/395287742.db2.gz OBZRRUBBASDPSO-CQSZACIVSA-N 0 3 256.353 2.382 20 30 CEEDHN CC1=C(C)CN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528489280 395290902 /nfs/dbraw/zinc/29/09/02/395290902.db2.gz PWRWJSOQAOUION-MRXNPFEDSA-N 0 3 286.375 2.340 20 30 CEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC12CCCC2 ZINC000528536718 395291494 /nfs/dbraw/zinc/29/14/94/395291494.db2.gz ZUOYRKJSVMQRBL-HNNXBMFYSA-N 0 3 286.375 2.316 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@H](C)CC1(C)C ZINC000408290219 395296642 /nfs/dbraw/zinc/29/66/42/395296642.db2.gz ICJSWRSJTVHCAO-IUODEOHRSA-N 0 3 265.401 2.161 20 30 CEEDHN CCN1CCC[C@H]1CNc1nc2ccccn2c1C#N ZINC000296283291 395315818 /nfs/dbraw/zinc/31/58/18/395315818.db2.gz HJZGQLOFSOEFOY-LBPRGKRZSA-N 0 3 269.352 2.102 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](CC)c1ccccc1 ZINC000293889894 395256071 /nfs/dbraw/zinc/25/60/71/395256071.db2.gz DKLQJHGQZAZDBX-INIZCTEOSA-N 0 3 272.392 2.252 20 30 CEEDHN C=C[C@H](CO)NCc1cccc(OCCCC#N)c1 ZINC000352465088 395257383 /nfs/dbraw/zinc/25/73/83/395257383.db2.gz CSRDHTSMGFIVNU-CQSZACIVSA-N 0 3 260.337 2.006 20 30 CEEDHN C=C[C@@H](CO)NCc1cccc(-c2ccncc2)c1 ZINC000352473322 395258858 /nfs/dbraw/zinc/25/88/58/395258858.db2.gz SLNNXVDQQYOHGS-INIZCTEOSA-N 0 3 254.333 2.385 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C[C@H]2C[C@H]2C)CC1 ZINC000354254449 395323309 /nfs/dbraw/zinc/32/33/09/395323309.db2.gz KPIUMLQCCBBCMN-CHWSQXEVSA-N 0 3 250.386 2.189 20 30 CEEDHN C#CCCCC(=O)NCCN(C)Cc1ccccc1 ZINC000192087270 395371791 /nfs/dbraw/zinc/37/17/91/395371791.db2.gz UNPCCKRQXDMABI-UHFFFAOYSA-N 0 3 258.365 2.038 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000192626608 395388896 /nfs/dbraw/zinc/38/88/96/395388896.db2.gz MGAXJGQVPMTHOZ-INWMFGNUSA-N 0 3 277.412 2.305 20 30 CEEDHN CCNC(=O)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442708725 395391082 /nfs/dbraw/zinc/39/10/82/395391082.db2.gz KYUJIGWVADKEGB-UKRRQHHQSA-N 0 3 271.364 2.218 20 30 CEEDHN Cc1cccc(C(=O)NCCN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442708838 395391097 /nfs/dbraw/zinc/39/10/97/395391097.db2.gz LTPMJEZWFSCMEU-DZGCQCFKSA-N 0 3 271.364 2.007 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1ncc(C2CC2)o1 ZINC000411637628 395333636 /nfs/dbraw/zinc/33/36/36/395333636.db2.gz GBIHNWYTQKKKCG-UHFFFAOYSA-N 0 3 263.385 2.492 20 30 CEEDHN C[C@H](C#N)CN(C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)C1CC1 ZINC000412211972 395351489 /nfs/dbraw/zinc/35/14/89/395351489.db2.gz IVYQWJTXQWJRTM-MQYQWHSLSA-N 0 3 277.412 2.398 20 30 CEEDHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)c1ccc(C#N)cc1 ZINC000354974721 395351564 /nfs/dbraw/zinc/35/15/64/395351564.db2.gz YDILGAURMRMEBH-APHBMKBZSA-N 0 3 274.364 2.403 20 30 CEEDHN CN1CCC[C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000533406547 395462004 /nfs/dbraw/zinc/46/20/04/395462004.db2.gz QFIBKCRGFPSNPK-OAHLLOKOSA-N 0 3 297.402 2.048 20 30 CEEDHN Cc1cc(CN[C@@H](C)CC[S@](C)=O)ccc1C#N ZINC000443992952 395409817 /nfs/dbraw/zinc/40/98/17/395409817.db2.gz YUKSRTHJFLWOCZ-SGTLLEGYSA-N 0 3 264.394 2.113 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC[C@@H](C#N)CCC#N ZINC000573068626 395599405 /nfs/dbraw/zinc/59/94/05/395599405.db2.gz WXXJMJMGLZEOHX-ZIAGYGMSSA-N 0 3 262.401 2.140 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC[C@@H](C#N)CCC#N ZINC000573068624 395599441 /nfs/dbraw/zinc/59/94/41/395599441.db2.gz WXXJMJMGLZEOHX-KGLIPLIRSA-N 0 3 262.401 2.140 20 30 CEEDHN C=CCCCNC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000573322217 395605557 /nfs/dbraw/zinc/60/55/57/395605557.db2.gz VMUXMRXWWPAKQL-HNNXBMFYSA-N 0 3 273.380 2.220 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(C(C)(C)C)nc1 ZINC000449520222 395553049 /nfs/dbraw/zinc/55/30/49/395553049.db2.gz OUQLVXBDVVBJNO-OLZOCXBDSA-N 0 3 261.369 2.207 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2ccnn2C(F)F)nc(C)n1 ZINC000568280522 395554739 /nfs/dbraw/zinc/55/47/39/395554739.db2.gz DGQBHZZWPDORSA-SECBINFHSA-N 0 3 291.261 2.175 20 30 CEEDHN N#Cc1csc(CN2CC[C@H](CCCO)C2)c1 ZINC000449793789 395560735 /nfs/dbraw/zinc/56/07/35/395560735.db2.gz YENWONBCISLPIV-NSHDSACASA-N 0 3 250.367 2.214 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C(=O)OC)oc1C ZINC000568958486 395571529 /nfs/dbraw/zinc/57/15/29/395571529.db2.gz XBAOVWYQXWXLSS-OLZOCXBDSA-N 0 3 279.336 2.198 20 30 CEEDHN COC[C@](C)(O)CN[C@H](CCC#N)c1ccc(OC)cc1 ZINC000570170380 395581490 /nfs/dbraw/zinc/58/14/90/395581490.db2.gz IYECHPNLYGWHTA-HZPDHXFCSA-N 0 3 292.379 2.027 20 30 CEEDHN CO[C@@H]1CCN(CCOc2cccc(C#N)c2)C[C@H]1C ZINC000451553317 395622534 /nfs/dbraw/zinc/62/25/34/395622534.db2.gz YJGGQTWSTKVKPA-CZUORRHYSA-N 0 3 274.364 2.294 20 30 CEEDHN CO[C@H]1CCN(CCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000451552704 395622636 /nfs/dbraw/zinc/62/26/36/395622636.db2.gz XOXSXLGELDLZHN-BBRMVZONSA-N 0 3 274.364 2.294 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@H](OC)[C@@H](C)C1 ZINC000451574224 395623055 /nfs/dbraw/zinc/62/30/55/395623055.db2.gz RMWSFBXBAPSBTA-WFASDCNBSA-N 0 3 274.364 2.424 20 30 CEEDHN CO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000451633699 395623861 /nfs/dbraw/zinc/62/38/61/395623861.db2.gz RSDINBOXKKMYCA-NILFDRSVSA-N 0 3 287.363 2.042 20 30 CEEDHN COc1cc(CN(C)C2CCN(OC)CC2)ccc1C#N ZINC000453630869 395628276 /nfs/dbraw/zinc/62/82/76/395628276.db2.gz ZGQVMVGRTXMZRU-UHFFFAOYSA-N 0 3 289.379 2.024 20 30 CEEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCN(C3CC3)C2)c1 ZINC000574379676 395628684 /nfs/dbraw/zinc/62/86/84/395628684.db2.gz YIDGKFPALUCZSK-BHYGNILZSA-N 0 3 295.386 2.015 20 30 CEEDHN C[C@H]1CCN(CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000574738354 395636249 /nfs/dbraw/zinc/63/62/49/395636249.db2.gz NVZCRXOLDSTTMW-RRQGHBQHSA-N 0 3 297.402 2.120 20 30 CEEDHN CC(C)(NCCN1CCCC1=O)c1cccc(C#N)c1 ZINC000595637239 395666362 /nfs/dbraw/zinc/66/63/62/395666362.db2.gz UWORDBLYEFKBQG-UHFFFAOYSA-N 0 3 271.364 2.005 20 30 CEEDHN CCC(CC)CN1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000471810421 395666970 /nfs/dbraw/zinc/66/69/70/395666970.db2.gz OFKWMEIVXMDXCE-UHFFFAOYSA-N 0 3 289.427 2.158 20 30 CEEDHN CC(C)[C@@H]1CN(c2c(C#N)nnc3ccccc32)CCN1C ZINC000487102944 395667025 /nfs/dbraw/zinc/66/70/25/395667025.db2.gz UYOAMODTRJHUOI-INIZCTEOSA-N 0 3 295.390 2.278 20 30 CEEDHN C[C@@H]1C[C@@H]1CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000488295190 395668256 /nfs/dbraw/zinc/66/82/56/395668256.db2.gz LQJVUBNRYVZQDD-RHSMWYFYSA-N 0 3 269.392 2.332 20 30 CEEDHN CN(C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CC1(C)C ZINC000489445618 395668521 /nfs/dbraw/zinc/66/85/21/395668521.db2.gz MGSOGTAIJMVDNW-HIFRSBDPSA-N 0 3 274.364 2.028 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](C)c1cccc(C)c1 ZINC000491438290 395669622 /nfs/dbraw/zinc/66/96/22/395669622.db2.gz BHQOMMYYBAFDFQ-OAHLLOKOSA-N 0 3 272.392 2.170 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(CCC)[C@@H]1CCN(C)C1)OCC ZINC000648997938 396038235 /nfs/dbraw/zinc/03/82/35/396038235.db2.gz AJZOFXUGZVGHMF-CABCVRRESA-N 0 3 282.428 2.300 20 30 CEEDHN C=CCC[C@@H](O)CN[C@H](CCO)c1ccccc1F ZINC000646068430 396282547 /nfs/dbraw/zinc/28/25/47/396282547.db2.gz SBHDTLSQOBBLGQ-IUODEOHRSA-N 0 3 267.344 2.166 20 30 CEEDHN C=CCOCCN(Cc1cnn(CC)c1)C(C)C ZINC000649814144 396264769 /nfs/dbraw/zinc/26/47/69/396264769.db2.gz BHFCSYLEMIRXPE-UHFFFAOYSA-N 0 3 251.374 2.316 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCc2ccccc2[C@H](C)C1 ZINC000649833199 396270846 /nfs/dbraw/zinc/27/08/46/396270846.db2.gz HXLNDTIYFGWNLF-ZIAGYGMSSA-N 0 3 272.392 2.339 20 30 CEEDHN C=CCCCCCN(C)CC(=O)NC(=O)NCC(C)C ZINC000150887894 400281434 /nfs/dbraw/zinc/28/14/34/400281434.db2.gz WSUVKBYUZGOUBH-UHFFFAOYSA-N 0 3 283.416 2.146 20 30 CEEDHN COC[C@@H]1CCCCN1CCOc1cccc(C#N)c1 ZINC000307768119 400340123 /nfs/dbraw/zinc/34/01/23/400340123.db2.gz TURZYNXQIVKLPA-HNNXBMFYSA-N 0 3 274.364 2.438 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1OC ZINC000489466518 400588014 /nfs/dbraw/zinc/58/80/14/400588014.db2.gz QYZUMFDBPDFQIR-RBSFLKMASA-N 0 3 282.428 2.347 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)CC(C)(C)OC ZINC000404226739 289292406 /nfs/dbraw/zinc/29/24/06/289292406.db2.gz CRHKATGKMQMRCK-UHFFFAOYSA-N 0 3 262.353 2.424 20 30 CEEDHN C[C@H](O)C[C@H]1CCCN1Cc1ccc(C#N)c(F)c1 ZINC000192126671 153205043 /nfs/dbraw/zinc/20/50/43/153205043.db2.gz YFKYQIIWKVNDMI-SMDDNHRTSA-N 0 3 262.328 2.433 20 30 CEEDHN CO[C@@H]1[C@H](C)[C@@H](NCc2ccc(C#N)o2)C12CCC2 ZINC000368033422 156273261 /nfs/dbraw/zinc/27/32/61/156273261.db2.gz GGGUUCWGWWAHIR-LERXQTSPSA-N 0 3 260.337 2.444 20 30 CEEDHN N#Cc1ccc(OCCCN2CC[C@H](n3cccn3)C2)cc1 ZINC000368283164 156316525 /nfs/dbraw/zinc/31/65/25/156316525.db2.gz VZGUAAGIGOROMK-INIZCTEOSA-N 0 3 296.374 2.471 20 30 CEEDHN N#Cc1cccc(OCCCN2CCC[C@H]3COC[C@H]32)c1 ZINC000368521541 156356512 /nfs/dbraw/zinc/35/65/12/156356512.db2.gz GKUPZLMAVFXNQS-DOTOQJQBSA-N 0 3 286.375 2.438 20 30 CEEDHN CO[C@@H]1CCCN(CCOc2ccccc2C#N)CC1 ZINC000374682485 157006275 /nfs/dbraw/zinc/00/62/75/157006275.db2.gz YTCGEESGWTUUKO-OAHLLOKOSA-N 0 3 274.364 2.438 20 30 CEEDHN CN1CC[C@H]2CCN(Cc3ccc(C#N)s3)C[C@@H]21 ZINC000375033127 157042566 /nfs/dbraw/zinc/04/25/66/157042566.db2.gz URIJILSLXLKADD-FZMZJTMJSA-N 0 3 261.394 2.146 20 30 CEEDHN N#Cc1ccc(NC(=O)CNC2(C3CC3)CCOCC2)cc1 ZINC000375695831 157128327 /nfs/dbraw/zinc/12/83/27/157128327.db2.gz CLBXBMVYZMCESL-UHFFFAOYSA-N 0 3 299.374 2.046 20 30 CEEDHN N#Cc1cccnc1N1CCCN(CCCCF)CC1 ZINC000375709795 157130348 /nfs/dbraw/zinc/13/03/48/157130348.db2.gz HIXQLTJSYCOWEV-UHFFFAOYSA-N 0 3 276.359 2.215 20 30 CEEDHN C[C@H](NC[C@H]1CN2CCCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000376178594 157194057 /nfs/dbraw/zinc/19/40/57/157194057.db2.gz RZZLEUFDYPJWEB-WBAXXEDZSA-N 0 3 299.418 2.462 20 30 CEEDHN C[C@H](NC[C@@H]1CN2CCCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000376178591 157195025 /nfs/dbraw/zinc/19/50/25/157195025.db2.gz RZZLEUFDYPJWEB-BMGDILEWSA-N 0 3 299.418 2.462 20 30 CEEDHN COC[C@@H](NCc1ccc(C#N)cc1OC)C(C)C ZINC000543456237 298309918 /nfs/dbraw/zinc/30/99/18/298309918.db2.gz CFDWGSBXVUYEEP-CQSZACIVSA-N 0 3 262.353 2.327 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000161705355 162331833 /nfs/dbraw/zinc/33/18/33/162331833.db2.gz QSVJWQGORURKJI-CYBMUJFWSA-N 0 3 285.391 2.328 20 30 CEEDHN N#Cc1cccc(CN2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000171942325 162392880 /nfs/dbraw/zinc/39/28/80/162392880.db2.gz PSRONPOVZCXGBJ-GOSISDBHSA-N 0 3 299.418 2.245 20 30 CEEDHN C=CCOc1ccccc1CN[C@H]1CCCN(C)C1 ZINC000040672879 174371253 /nfs/dbraw/zinc/37/12/53/174371253.db2.gz YDFSTBIZKSNGHZ-HNNXBMFYSA-N 0 3 260.381 2.435 20 30 CEEDHN C=CCN1CC[C@H](N(C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1=O ZINC000660464730 414834666 /nfs/dbraw/zinc/83/46/66/414834666.db2.gz RZLBABGXRNNFKX-KBXIAJHMSA-N 0 3 262.397 2.141 20 30 CEEDHN C=C(CC)CNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654586602 414982436 /nfs/dbraw/zinc/98/24/36/414982436.db2.gz WJHJRSVUDFSPMZ-KBPBESRZSA-N 0 3 265.401 2.269 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc2ccccc2n1 ZINC000660737821 414952868 /nfs/dbraw/zinc/95/28/68/414952868.db2.gz IWPBZWIHTJHRTG-CVEARBPZSA-N 0 3 269.348 2.453 20 30 CEEDHN C=CCc1cc(CN[C@@H]2C[C@]2(C)OC)cc(OC)c1O ZINC000657788487 415080139 /nfs/dbraw/zinc/08/01/39/415080139.db2.gz QXOOPZFEFRMWDT-ZBFHGGJFSA-N 0 3 277.364 2.396 20 30 CEEDHN C=CCOCCCNCc1ccccc1C(=O)N(C)C ZINC000657659251 415040040 /nfs/dbraw/zinc/04/00/40/415040040.db2.gz UGKIKYNRGZXQCK-UHFFFAOYSA-N 0 3 276.380 2.071 20 30 CEEDHN C=CCCC(C)(C)NC(=O)NC[C@@H]1CCCN1CCOC ZINC000664065232 415148250 /nfs/dbraw/zinc/14/82/50/415148250.db2.gz JRJSWKAYQVEQJT-AWEZNQCLSA-N 0 3 297.443 2.141 20 30 CEEDHN C=CCC[C@@H](O)CN[C@H](COC)c1cccc(OC)c1 ZINC000661476771 415278628 /nfs/dbraw/zinc/27/86/28/415278628.db2.gz CNJFHVBAWASBNA-GDBMZVCRSA-N 0 3 279.380 2.299 20 30 CEEDHN C=CCN1CC[C@H](N2CCC(C3CCC3)CC2)C1=O ZINC000661374109 415227937 /nfs/dbraw/zinc/22/79/37/415227937.db2.gz IXEVLNHTHYNBSD-HNNXBMFYSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CC[C@H]1CCCN(CC(=O)N2CCCCC2)C1 ZINC000661378422 415231167 /nfs/dbraw/zinc/23/11/67/415231167.db2.gz GDWVHRDCSXCUQK-AWEZNQCLSA-N 0 3 250.386 2.287 20 30 CEEDHN C=CCCCCCNC(=O)[C@@H]1CNCCC1(F)F ZINC000655488981 415300241 /nfs/dbraw/zinc/30/02/41/415300241.db2.gz PSGRXDFWROPMPN-NSHDSACASA-N 0 3 260.328 2.094 20 30 CEEDHN C=CCCN(C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000661510487 415302642 /nfs/dbraw/zinc/30/26/42/415302642.db2.gz UPQZKJRCXWTCQM-LBPRGKRZSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCN1CC[C@H](N[C@@H]2Cc3ccccc3[C@@H]2C)C1=O ZINC000661517973 415310860 /nfs/dbraw/zinc/31/08/60/415310860.db2.gz ZPRKNYZQBNLKBH-VBNZEHGJSA-N 0 3 270.376 2.091 20 30 CEEDHN C=CCCNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000661566244 415330777 /nfs/dbraw/zinc/33/07/77/415330777.db2.gz ZEWIRWVXNBHINP-UHFFFAOYSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCOCCCNC(=O)Nc1cccc2c1CCNC2 ZINC000659017150 415389094 /nfs/dbraw/zinc/38/90/94/415389094.db2.gz FFKNITPTXDIPHZ-UHFFFAOYSA-N 0 3 289.379 2.047 20 30 CEEDHN C=CCN(CCc1nnn(C(C)(C)C)n1)C(C)(C)C ZINC000661758230 415448204 /nfs/dbraw/zinc/44/82/04/415448204.db2.gz PQQIUUYBHAEPII-UHFFFAOYSA-N 0 3 265.405 2.257 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC([C@H]2CCCCO2)CC1 ZINC000661864914 415507640 /nfs/dbraw/zinc/50/76/40/415507640.db2.gz QJOWIFBMGWQRAM-LSDHHAIUSA-N 0 3 253.386 2.205 20 30 CEEDHN C=CCC1(NC(=O)N[C@@H](C)CN(C)C)CCCC1 ZINC000664897506 415514701 /nfs/dbraw/zinc/51/47/01/415514701.db2.gz SKXLHEJOTOWYCN-LBPRGKRZSA-N 0 3 253.390 2.125 20 30 CEEDHN C=C[C@H](CO)NCc1cc(Br)ccc1C ZINC000662168950 415667746 /nfs/dbraw/zinc/66/77/46/415667746.db2.gz ZUSWCGJCVSKZIE-GFCCVEGCSA-N 0 3 270.170 2.394 20 30 CEEDHN C=C[C@H](CO)NC[C@@H](OC)c1ccc(Cl)cc1 ZINC000662168670 415668397 /nfs/dbraw/zinc/66/83/97/415668397.db2.gz PZYQSHRWUAHOMR-CHWSQXEVSA-N 0 3 255.745 2.164 20 30 CEEDHN C=CCN(Cc1ccccc1F)C[C@H]1CCC2(CNC2)O1 ZINC000662253748 415715382 /nfs/dbraw/zinc/71/53/82/415715382.db2.gz WCAUQMOVBZKLSK-OAHLLOKOSA-N 0 3 290.382 2.335 20 30 CEEDHN C=CCOCCNCc1ccccc1N1CCO[C@@H](C)C1 ZINC000656535200 415747126 /nfs/dbraw/zinc/74/71/26/415747126.db2.gz XXCHAGYHQAUVOR-HNNXBMFYSA-N 0 3 290.407 2.204 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000656689359 415813169 /nfs/dbraw/zinc/81/31/69/415813169.db2.gz QCKSWXBQPCEZOO-IHRRRGAJSA-N 0 3 294.439 2.393 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)[C@@]2(N)C[C@@H](OCC)C2(C)C)C1 ZINC000662629519 415912214 /nfs/dbraw/zinc/91/22/14/415912214.db2.gz DUXORKXEMGTNGJ-CPUCHLNUSA-N 0 3 294.439 2.334 20 30 CEEDHN CCN(CCC#N)C(=O)CN([C@H](C)C1CC1)C1CC1 ZINC000076913092 177132581 /nfs/dbraw/zinc/13/25/81/177132581.db2.gz OUZNEEQXOSGFFF-GFCCVEGCSA-N 0 3 263.385 2.011 20 30 CEEDHN C=CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000078360123 177335416 /nfs/dbraw/zinc/33/54/16/177335416.db2.gz JRPXCXAIJWEPAZ-OAHLLOKOSA-N 0 3 273.380 2.309 20 30 CEEDHN Cn1nc2c(c1CN[C@H]1CC[C@H](C#N)C1)CCCC2 ZINC000334604896 225083935 /nfs/dbraw/zinc/08/39/35/225083935.db2.gz IVSUCUBCXFHFNZ-RYUDHWBXSA-N 0 3 258.369 2.081 20 30 CEEDHN Cc1cccc(CC2(O)CCN(C(=O)C(C)C#N)CC2)c1 ZINC000334619134 225099822 /nfs/dbraw/zinc/09/98/22/225099822.db2.gz OVGHDMZLKVRYHC-CQSZACIVSA-N 0 3 286.375 2.051 20 30 CEEDHN Cc1nc(C)c([C@H](C)N(C)C(=O)C(C)C#N)s1 ZINC000334760899 225311730 /nfs/dbraw/zinc/31/17/30/225311730.db2.gz WDAYBLYZSVXBNF-CBAPKCEASA-N 0 3 251.355 2.439 20 30 CEEDHN Cc1cnc(C2CCN(C(=O)C(C)C#N)CC2)s1 ZINC000334679458 225246986 /nfs/dbraw/zinc/24/69/86/225246986.db2.gz VHLNYJJBTPLBCP-VIFPVBQESA-N 0 3 263.366 2.317 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000347073451 226015743 /nfs/dbraw/zinc/01/57/43/226015743.db2.gz QCSITQDHMQFFRL-GHMZBOCLSA-N 0 3 274.320 2.012 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000334150864 227335739 /nfs/dbraw/zinc/33/57/39/227335739.db2.gz NYNCRZVFMLXWTI-GMSGAONNSA-N 0 3 250.685 2.049 20 30 CEEDHN [O-]C(NC1CCCCCC1)=[NH+][C@H]1CCn2ccnc2C1 ZINC000330181686 228058242 /nfs/dbraw/zinc/05/82/42/228058242.db2.gz GTILMPIVTBZRJJ-ZDUSSCGKSA-N 0 3 276.384 2.424 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CCn2ccnc2C1)N1[C@H](C)CC[C@@H]1C ZINC000330283525 228092046 /nfs/dbraw/zinc/09/20/46/228092046.db2.gz WFSMFMDOSUIGNZ-XJFOESAGSA-N 0 3 290.411 2.416 20 30 CEEDHN CC(C#N)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000335976705 228172703 /nfs/dbraw/zinc/17/27/03/228172703.db2.gz RDIZYTHEPXKURH-ZWNOBZJWSA-N 0 3 278.739 2.400 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CC[C@H](C2CCCC2)C1)C1CC1 ZINC000333762896 228212875 /nfs/dbraw/zinc/21/28/75/228212875.db2.gz CYMDHWKRBUKSGJ-WMLDXEAASA-N 0 3 289.423 2.307 20 30 CEEDHN C=CCCNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000665945469 419485924 /nfs/dbraw/zinc/48/59/24/419485924.db2.gz JAMWMJGHRKHIKT-UHFFFAOYSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000665947560 419487127 /nfs/dbraw/zinc/48/71/27/419487127.db2.gz QESYBTMGAUWSFA-UHFFFAOYSA-N 0 3 267.417 2.326 20 30 CEEDHN CC(C)(C)C1CN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000601956331 419422227 /nfs/dbraw/zinc/42/22/27/419422227.db2.gz AFPRDAFWGLUPQZ-HNNXBMFYSA-N 0 3 288.391 2.276 20 30 CEEDHN C=C[C@@](C)(O)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000666347126 419634469 /nfs/dbraw/zinc/63/44/69/419634469.db2.gz NQBCUIAUJHOADM-UKRRQHHQSA-N 0 3 296.436 2.184 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)Nc1cnc2c(c1)CNCC2 ZINC000667804634 419813108 /nfs/dbraw/zinc/81/31/08/419813108.db2.gz JRDVWGIIUXLTIF-GFCCVEGCSA-N 0 3 274.368 2.204 20 30 CEEDHN C=C[C@H](CO)N[C@@H]1CCCc2nc(Cl)ccc21 ZINC000297367287 260119583 /nfs/dbraw/zinc/11/95/83/260119583.db2.gz QGGTZCFFQYALLV-MWLCHTKSSA-N 0 3 252.745 2.249 20 30 CEEDHN N#CCCN(CCN1CCCCC1)Cc1ccco1 ZINC000078667213 260301978 /nfs/dbraw/zinc/30/19/78/260301978.db2.gz FJGJKWPYEXLBTF-UHFFFAOYSA-N 0 3 261.369 2.481 20 30 CEEDHN CCN(CC)CC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000153493297 261079416 /nfs/dbraw/zinc/07/94/16/261079416.db2.gz RSHSDGDIYGFEQO-HNNXBMFYSA-N 0 3 273.380 2.489 20 30 CEEDHN C=CCCCCNC(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000368412980 261109299 /nfs/dbraw/zinc/10/92/99/261109299.db2.gz QXEOXSPREVFFKZ-KGLIPLIRSA-N 0 3 265.401 2.078 20 30 CEEDHN C#CCN(C(=O)NC[C@@H]1CCCN1C)C1CCCCC1 ZINC000490574895 261163348 /nfs/dbraw/zinc/16/33/48/261163348.db2.gz DRCPVIMFWBRDNG-HNNXBMFYSA-N 0 3 277.412 2.058 20 30 CEEDHN C=CCCC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000102324126 261212561 /nfs/dbraw/zinc/21/25/61/261212561.db2.gz UBJTYWHMEYJWRZ-OAHLLOKOSA-N 0 3 260.381 2.242 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](C)c1c(C)cccc1C ZINC000490973401 261273203 /nfs/dbraw/zinc/27/32/03/261273203.db2.gz KQUBRICVVPLREW-KGLIPLIRSA-N 0 3 258.365 2.092 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@@H]2c2cccnc2)CC1 ZINC000106034113 261320700 /nfs/dbraw/zinc/32/07/00/261320700.db2.gz QYHNPVARIYKMHN-SJORKVTESA-N 0 3 299.418 2.342 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(CC)C[C@@H](C)OC ZINC000361557490 261334393 /nfs/dbraw/zinc/33/43/93/261334393.db2.gz ASVSQGNEJNLEQG-KGLIPLIRSA-N 0 3 270.417 2.156 20 30 CEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)C2(C#N)CCCCC2)C1 ZINC000164151964 261341891 /nfs/dbraw/zinc/34/18/91/261341891.db2.gz BMOZFXVTFUADNQ-HUUCEWRRSA-N 0 3 289.423 2.403 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@H](CC)c1ccc(C)cc1 ZINC000192586480 261358705 /nfs/dbraw/zinc/35/87/05/261358705.db2.gz OCQPTXWGNIPHJL-UKRRQHHQSA-N 0 3 258.365 2.174 20 30 CEEDHN C=CC[C@H](C)NCc1ccc(S(C)(=O)=O)s1 ZINC000309748293 262011313 /nfs/dbraw/zinc/01/13/13/262011313.db2.gz JUHAGRLYLJFYQD-VIFPVBQESA-N 0 3 259.396 2.206 20 30 CEEDHN CC#CCCN1CCCN(c2cncc(F)c2)CC1 ZINC000364050373 262122552 /nfs/dbraw/zinc/12/25/52/262122552.db2.gz ZTHRUYLGOBHIND-UHFFFAOYSA-N 0 3 261.344 2.146 20 30 CEEDHN C=CCCCCNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000364284774 262195382 /nfs/dbraw/zinc/19/53/82/262195382.db2.gz DBHLHURJZTYGBK-HNNXBMFYSA-N 0 3 280.412 2.102 20 30 CEEDHN CN(Cc1ccccc1)C(=O)CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000192702448 262208869 /nfs/dbraw/zinc/20/88/69/262208869.db2.gz FLNDVGVIEZLOOS-HZPDHXFCSA-N 0 3 285.391 2.317 20 30 CEEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@H](n3cncn3)C2)cc1 ZINC000364514174 262253409 /nfs/dbraw/zinc/25/34/09/262253409.db2.gz WZECZNPPDYYKBI-HIFRSBDPSA-N 0 3 297.362 2.016 20 30 CEEDHN C=CCOc1ccc(CN2C[C@H](O)[C@@H](CC)C2)cc1 ZINC000355181926 262352595 /nfs/dbraw/zinc/35/25/95/262352595.db2.gz CVLCREMHEJKBDS-HOCLYGCPSA-N 0 3 261.365 2.454 20 30 CEEDHN C#CCCCC(=O)Nc1cnn(CCN2CCCCC2)c1 ZINC000365405489 262364301 /nfs/dbraw/zinc/36/43/01/262364301.db2.gz LFIAFZWJZKGGTJ-UHFFFAOYSA-N 0 3 288.395 2.111 20 30 CEEDHN C[C@@H]1CCC[C@H](CO)N1Cc1ccc(OCC#N)cc1 ZINC000272679529 263008067 /nfs/dbraw/zinc/00/80/67/263008067.db2.gz RPECIAVEYMAGLY-UKRRQHHQSA-N 0 3 274.364 2.324 20 30 CEEDHN COCCN1CC[C@H](Nc2ccccc2O[C@H](C)C#N)C1 ZINC000273135637 263013115 /nfs/dbraw/zinc/01/31/15/263013115.db2.gz CSFICWJHZMURPR-KGLIPLIRSA-N 0 3 289.379 2.110 20 30 CEEDHN C[C@H](CNC(=O)NCCCC#N)N(C)Cc1ccccc1 ZINC000273428000 263016854 /nfs/dbraw/zinc/01/68/54/263016854.db2.gz APCNXDWYQVLZQR-CQSZACIVSA-N 0 3 288.395 2.110 20 30 CEEDHN C=CCCN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000276501526 263037045 /nfs/dbraw/zinc/03/70/45/263037045.db2.gz WGISSMZFTIVFAE-ZDUSSCGKSA-N 0 3 263.385 2.225 20 30 CEEDHN N#CCCn1cc(CNC2CC2)c(-c2ccncc2)n1 ZINC000278724389 263050056 /nfs/dbraw/zinc/05/00/56/263050056.db2.gz TXTDWRSYRVPXCX-UHFFFAOYSA-N 0 3 267.336 2.111 20 30 CEEDHN COCCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279274169 263054242 /nfs/dbraw/zinc/05/42/42/263054242.db2.gz JMQDPMQWLIGOIQ-MRXNPFEDSA-N 0 3 299.374 2.173 20 30 CEEDHN N#CC1(CCCN[C@H](CCO)c2ccco2)CCOCC1 ZINC000281430858 263068824 /nfs/dbraw/zinc/06/88/24/263068824.db2.gz SKLURKJQIKVCCK-CQSZACIVSA-N 0 3 292.379 2.393 20 30 CEEDHN C=CCC[C@H](O)CN1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340192388 263087376 /nfs/dbraw/zinc/08/73/76/263087376.db2.gz NVRITHMOYGJCIC-SDDRHHMPSA-N 0 3 281.318 2.091 20 30 CEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc(CC#N)c1 ZINC000288487726 263104469 /nfs/dbraw/zinc/10/44/69/263104469.db2.gz RHRPYNOUSAHHKQ-PBHICJAKSA-N 0 3 297.402 2.451 20 30 CEEDHN C#C[C@H](C)NCc1ccc(OC)c(OCCCC#N)c1 ZINC000289344975 263109254 /nfs/dbraw/zinc/10/92/54/263109254.db2.gz IIRPTJJJEVRVGC-ZDUSSCGKSA-N 0 3 272.348 2.489 20 30 CEEDHN C[C@H](NC(=O)CCCC#N)[C@@H](c1ccccc1)N(C)C ZINC000293252918 263138971 /nfs/dbraw/zinc/13/89/71/263138971.db2.gz KYOAQVWRYRAVIE-BBRMVZONSA-N 0 3 273.380 2.488 20 30 CEEDHN N#CCCOCCN[C@H](CCCO)c1ccccc1 ZINC000293710143 263147612 /nfs/dbraw/zinc/14/76/12/263147612.db2.gz DOSIYVDDVHICPY-OAHLLOKOSA-N 0 3 262.353 2.020 20 30 CEEDHN CN(CCn1cc(Br)cn1)[C@H]1CC[C@@H](C#N)C1 ZINC000293725012 263147746 /nfs/dbraw/zinc/14/77/46/263147746.db2.gz YUQGYPVNDQBNMB-PWSUYJOCSA-N 0 3 297.200 2.270 20 30 CEEDHN C[C@@H](NCCOCCC#N)[C@H]1OCCc2sccc21 ZINC000293719408 263147771 /nfs/dbraw/zinc/14/77/71/263147771.db2.gz YJYYTZDXWNQWNA-BXUZGUMPSA-N 0 3 280.393 2.270 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](CCCC)ON=C(C)C ZINC000294066436 263155329 /nfs/dbraw/zinc/15/53/29/263155329.db2.gz VMLVFYKHRWNNOU-OAHLLOKOSA-N 0 3 295.427 2.029 20 30 CEEDHN COC(=O)c1coc(CN[C@H]2CC[C@@H](CC#N)C2)c1 ZINC000294966567 263170339 /nfs/dbraw/zinc/17/03/39/263170339.db2.gz FIABLRYGWSZLPD-JQWIXIFHSA-N 0 3 262.309 2.238 20 30 CEEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(C(=O)OC)cs1 ZINC000353621270 263271976 /nfs/dbraw/zinc/27/19/76/263271976.db2.gz LKYXTUDJHWGUMK-MNOVXSKESA-N 0 3 283.393 2.370 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000341183548 263325822 /nfs/dbraw/zinc/32/58/22/263325822.db2.gz ALJONZGYXQCEBE-OLZOCXBDSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CC[C@H](CO)CNCc1c[nH]c(-c2ccccc2)n1 ZINC000341279389 263330264 /nfs/dbraw/zinc/33/02/64/263330264.db2.gz CBOOIWNVSBSZRB-ZDUSSCGKSA-N 0 3 271.364 2.351 20 30 CEEDHN C=CC[C@H](CO)CNCc1cnc(-c2ccccc2)[nH]1 ZINC000341279389 263330266 /nfs/dbraw/zinc/33/02/66/263330266.db2.gz CBOOIWNVSBSZRB-ZDUSSCGKSA-N 0 3 271.364 2.351 20 30 CEEDHN CC#CCN[C@H](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC000342106211 263388453 /nfs/dbraw/zinc/38/84/53/263388453.db2.gz VWIKCLCAMKBNEY-UKRRQHHQSA-N 0 3 259.349 2.020 20 30 CEEDHN Cc1noc([C@@H](C)NC(=O)C2CCN(C3CC3)CC2)n1 ZINC000328685251 263842988 /nfs/dbraw/zinc/84/29/88/263842988.db2.gz FMVJZIQALJBHCT-SECBINFHSA-N 0 3 278.356 2.270 20 30 CEEDHN CO[C@@H](C)c1nc(C)c(C(=O)N[C@@H](C)CN(C)C)s1 ZINC000330677225 264014922 /nfs/dbraw/zinc/01/49/22/264014922.db2.gz KYGDXYYXYJKCOQ-WPRPVWTQSA-N 0 3 285.413 2.414 20 30 CEEDHN C=CC1CCN([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000330703852 264018630 /nfs/dbraw/zinc/01/86/30/264018630.db2.gz QHSZSEJUQSFKLQ-TZMCWYRMSA-N 0 3 293.411 2.047 20 30 CEEDHN CC(C)CNC(=O)NC(=O)[C@H](C)N(C)C[C@H]1CC=CCC1 ZINC000330806930 264043559 /nfs/dbraw/zinc/04/35/59/264043559.db2.gz ACNVYCDCTMXQSR-KBPBESRZSA-N 0 3 295.427 2.349 20 30 CEEDHN CCc1ocnc1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000330926915 264095463 /nfs/dbraw/zinc/09/54/63/264095463.db2.gz JKMFUFZQOLPHOF-GHMZBOCLSA-N 0 3 265.357 2.270 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)NCc1cccnc1 ZINC000331295807 264197574 /nfs/dbraw/zinc/19/75/74/264197574.db2.gz AALFMYLQQRMGEF-CQSZACIVSA-N 0 3 290.411 2.206 20 30 CEEDHN C=C[C@@H](C)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000128601468 264299378 /nfs/dbraw/zinc/29/93/78/264299378.db2.gz QGZRRJSJCJBAMH-GFCCVEGCSA-N 0 3 261.369 2.122 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@H](CO)[C@@H]2C)cc1OC ZINC000426001839 264300348 /nfs/dbraw/zinc/30/03/48/264300348.db2.gz ZJZCRLJKHGDYHQ-DZGCQCFKSA-N 0 3 291.391 2.463 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCCC[C@H]1SCC ZINC000189488940 264302777 /nfs/dbraw/zinc/30/27/77/264302777.db2.gz WKKCBRGXQRXQJV-RWMBFGLXSA-N 0 3 270.442 2.331 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000425477820 264347165 /nfs/dbraw/zinc/34/71/65/264347165.db2.gz MTIPKZQJNSDIGM-DZGCQCFKSA-N 0 3 290.411 2.018 20 30 CEEDHN CCN1CCC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000180278471 264395533 /nfs/dbraw/zinc/39/55/33/264395533.db2.gz JOVYVAYWHRVXSY-INIZCTEOSA-N 0 3 297.402 2.456 20 30 CEEDHN C=C(CNC(=O)NC[C@@H](C)N(C)C1CC1)c1ccccc1 ZINC000287269331 264616971 /nfs/dbraw/zinc/61/69/71/264616971.db2.gz DOZLRBSIXXTWJZ-CQSZACIVSA-N 0 3 287.407 2.482 20 30 CEEDHN CCc1ccc(C#CC(=O)N2CCCN(CC)CC2)cc1 ZINC000294076386 265006001 /nfs/dbraw/zinc/00/60/01/265006001.db2.gz LKVNWYRLSVUUPQ-UHFFFAOYSA-N 0 3 284.403 2.155 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@H](O)CC2)cc1 ZINC000294090819 265007520 /nfs/dbraw/zinc/00/75/20/265007520.db2.gz RKWFNQIGOZTRMS-HNNXBMFYSA-N 0 3 259.349 2.045 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)NC1CCN(CC)CC1 ZINC000335852488 265223342 /nfs/dbraw/zinc/22/33/42/265223342.db2.gz XWMDYWINGQYDEG-AWEZNQCLSA-N 0 3 265.401 2.221 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000519829627 265610575 /nfs/dbraw/zinc/61/05/75/265610575.db2.gz XBLXHJCYLJXXKJ-DZGCQCFKSA-N 0 3 287.319 2.124 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000356291585 266088272 /nfs/dbraw/zinc/08/82/72/266088272.db2.gz FBWQHAVFBMWJDO-DLBZAZTESA-N 0 3 294.439 2.160 20 30 CEEDHN C=CCCC1(C(=O)N[C@H]2CCCN(C)[C@H]2C)CC1 ZINC000356731094 266166248 /nfs/dbraw/zinc/16/62/48/266166248.db2.gz JTASWTKSDDNRKO-STQMWFEESA-N 0 3 250.386 2.332 20 30 CEEDHN CC[C@H](C(=O)N1CCC(C)(C#N)CC1)N(CC)CC ZINC000357453474 266299231 /nfs/dbraw/zinc/29/92/31/266299231.db2.gz FIOBORVSRFWZOI-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000357740642 266354390 /nfs/dbraw/zinc/35/43/90/266354390.db2.gz ADJSKDCBXSGMHH-NFFDBFGFSA-N 0 3 277.412 2.017 20 30 CEEDHN CC(C#N)C(=O)NCc1cccc(OC(F)F)c1 ZINC000357791586 266363411 /nfs/dbraw/zinc/36/34/11/266363411.db2.gz AUBXCBGHFRJOIQ-MRVPVSSYSA-N 0 3 254.236 2.064 20 30 CEEDHN CC(C#N)C(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000357818163 266372387 /nfs/dbraw/zinc/37/23/87/266372387.db2.gz HDSVNZGJNGIEBZ-VIFPVBQESA-N 0 3 268.263 2.406 20 30 CEEDHN CCN(Cc1c(F)cccc1F)C(=O)C(C)C#N ZINC000357823733 266373098 /nfs/dbraw/zinc/37/30/98/266373098.db2.gz IBAAVVXVXABGGO-VIFPVBQESA-N 0 3 252.264 2.473 20 30 CEEDHN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc(OC)c(C#N)c1 ZINC000395081233 266387630 /nfs/dbraw/zinc/38/76/30/266387630.db2.gz ADEDPSPOQPEXQU-UKRRQHHQSA-N 0 3 274.364 2.160 20 30 CEEDHN CC[C@H](C(=O)N(C[C@H](C)C#N)C1CC1)N(CC)CC ZINC000359688713 266624018 /nfs/dbraw/zinc/62/40/18/266624018.db2.gz ZRDHXHQNSAJGSX-TZMCWYRMSA-N 0 3 265.401 2.257 20 30 CEEDHN C=CCN1CCC(N=c2[nH]c3c(cccc3F)o2)CC1 ZINC000362574079 267009602 /nfs/dbraw/zinc/00/96/02/267009602.db2.gz AFPBRBYJVKBTDB-UHFFFAOYSA-N 0 3 275.327 2.451 20 30 CEEDHN CCCCOCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471879312 267010834 /nfs/dbraw/zinc/01/08/34/267010834.db2.gz AQNKXMIXPZEFRY-INIZCTEOSA-N 0 3 299.374 2.173 20 30 CEEDHN N#CCCCCN1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000363192856 267079253 /nfs/dbraw/zinc/07/92/53/267079253.db2.gz PESNITLQCZSLTR-LBPRGKRZSA-N 0 3 292.408 2.487 20 30 CEEDHN CC(C)(C#N)CCCN1CCCC[C@H]1C(=N)NO ZINC000368524913 267180836 /nfs/dbraw/zinc/18/08/36/267180836.db2.gz MMRYTTRCDVSMQT-NSHDSACASA-N 0 3 252.362 2.127 20 30 CEEDHN CC(C)(C#N)CCCN1CCCC[C@@H]1C(=N)NO ZINC000368524912 267181237 /nfs/dbraw/zinc/18/12/37/267181237.db2.gz MMRYTTRCDVSMQT-LLVKDONJSA-N 0 3 252.362 2.127 20 30 CEEDHN CC[C@@H](C(=O)NCc1ccc(C#N)s1)N(CC)CC ZINC000421598488 267183480 /nfs/dbraw/zinc/18/34/80/267183480.db2.gz AJSFYURHJMGHHX-ZDUSSCGKSA-N 0 3 279.409 2.356 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000368588834 267188962 /nfs/dbraw/zinc/18/89/62/267188962.db2.gz HDRKNIOARJODIB-HIFRSBDPSA-N 0 3 262.397 2.307 20 30 CEEDHN CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCCC#N ZINC000368671295 267196134 /nfs/dbraw/zinc/19/61/34/267196134.db2.gz VEAIQYCHZCJUGT-KBPBESRZSA-N 0 3 263.385 2.156 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000368680612 267197760 /nfs/dbraw/zinc/19/77/60/267197760.db2.gz ODTQHHLXQNKVAF-CQSZACIVSA-N 0 3 284.407 2.207 20 30 CEEDHN CC[C@H](NC(COC)COC)c1ccc(C#N)cc1 ZINC000453368386 267220598 /nfs/dbraw/zinc/22/05/98/267220598.db2.gz XSMLUECLXGXXSB-HNNXBMFYSA-N 0 3 262.353 2.260 20 30 CEEDHN CC[C@H]1[C@H](CO)CCN1Cc1cc(C#N)cs1 ZINC000449424276 267236693 /nfs/dbraw/zinc/23/66/93/267236693.db2.gz OVLHSJDWKBSWEW-AAEUAGOBSA-N 0 3 250.367 2.213 20 30 CEEDHN CC(C)CN1CCCN(C(=O)NCCCCC#N)CC1 ZINC000369584440 267251587 /nfs/dbraw/zinc/25/15/87/267251587.db2.gz NEOXTENVQAUICJ-UHFFFAOYSA-N 0 3 280.416 2.054 20 30 CEEDHN CN(C(=O)/C=C\c1cccc(C#N)c1)[C@@H]1CN2CCC1CC2 ZINC000491799851 267269773 /nfs/dbraw/zinc/26/97/73/267269773.db2.gz WVXLVPZGWILPEK-KEGWNNHHSA-N 0 3 295.386 2.124 20 30 CEEDHN CN(C)Cc1ccc(NC(=O)c2ccc(C#N)n2C)cc1 ZINC000448661556 267284418 /nfs/dbraw/zinc/28/44/18/267284418.db2.gz SSNYGTBOBUTIAO-UHFFFAOYSA-N 0 3 282.347 2.211 20 30 CEEDHN C#CCOc1ccc(CN2CCOC[C@@H](C)C2)cc1 ZINC000370052630 267287008 /nfs/dbraw/zinc/28/70/08/267287008.db2.gz IRPUHICSHNLLOU-AWEZNQCLSA-N 0 3 259.349 2.167 20 30 CEEDHN C[C@@H]1CN(CCC2CCN(CCC#N)CC2)C[C@H](C)O1 ZINC000370206504 267299363 /nfs/dbraw/zinc/29/93/63/267299363.db2.gz BBQXIGCSDKUQRW-GASCZTMLSA-N 0 3 279.428 2.111 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000421710670 267308298 /nfs/dbraw/zinc/30/82/98/267308298.db2.gz LTHHGRLSXHFQFI-MRXNPFEDSA-N 0 3 297.402 2.142 20 30 CEEDHN N#CCC[C@@H](C#N)CN[C@H]1CCCC12CCOCC2 ZINC000370590361 267329527 /nfs/dbraw/zinc/32/95/27/267329527.db2.gz WAPAVVKKKYAYLE-KBPBESRZSA-N 0 3 261.369 2.369 20 30 CEEDHN CN1CC[C@@H]2CN(c3ccc(C(F)(F)F)c(C#N)n3)C[C@@H]21 ZINC000450781785 267339569 /nfs/dbraw/zinc/33/95/69/267339569.db2.gz USIZDGLDLPHGCH-SKDRFNHKSA-N 0 3 296.296 2.112 20 30 CEEDHN COC(=O)C[C@H]1CCCN1Cc1ccc(C#N)c(C)c1 ZINC000488131109 267368520 /nfs/dbraw/zinc/36/85/20/267368520.db2.gz UDXBIIHYMMSGPO-OAHLLOKOSA-N 0 3 272.348 2.394 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NC[C@H](N)c1ccccc1 ZINC000418150692 267376024 /nfs/dbraw/zinc/37/60/24/267376024.db2.gz RCSNUDHGAIFECP-KGLIPLIRSA-N 0 3 261.369 2.340 20 30 CEEDHN COC1([C@H](C)NCc2cccc(C#N)c2F)CCOCC1 ZINC000453232409 267432862 /nfs/dbraw/zinc/43/28/62/267432862.db2.gz WZANSCPSEGOFRI-LBPRGKRZSA-N 0 3 292.354 2.371 20 30 CEEDHN CO[C@@H]1COCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000453328528 267528288 /nfs/dbraw/zinc/52/82/88/267528288.db2.gz UCMFRDXBEZUMIY-DETPVDSQSA-N 0 3 292.354 2.399 20 30 CEEDHN C[C@@H]1C[C@H]1CN[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000488550577 267788978 /nfs/dbraw/zinc/78/89/78/267788978.db2.gz YPCFLJMKMFLQFI-IVMMDQJWSA-N 0 3 283.375 2.299 20 30 CEEDHN C[C@H](CNC(=O)Cc1cccc(C#N)c1)N1CCC(C)CC1 ZINC000530670412 267821261 /nfs/dbraw/zinc/82/12/61/267821261.db2.gz ZGEIEGICDOMLDQ-OAHLLOKOSA-N 0 3 299.418 2.337 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)NCC(C)(C)CCC#N)[C@@H]2C1 ZINC000377029778 268042167 /nfs/dbraw/zinc/04/21/67/268042167.db2.gz KABBMZNWZVNJEK-UONOGXRCSA-N 0 3 292.427 2.052 20 30 CEEDHN N#Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1 ZINC000530028498 268199378 /nfs/dbraw/zinc/19/93/78/268199378.db2.gz UXCMRVYUKMHNQC-INIZCTEOSA-N 0 3 283.375 2.305 20 30 CEEDHN N#Cc1ccc(CN2CCN(CC[C@@H]3CCOC3)CC2)cc1 ZINC000437588602 268220859 /nfs/dbraw/zinc/22/08/59/268220859.db2.gz JNWBPOBDTBWHCO-GOSISDBHSA-N 0 3 299.418 2.102 20 30 CEEDHN N#Cc1ccc([C@H](NC[C@H]2CCC(F)(F)C2)C(N)=O)cc1 ZINC000429791297 268263231 /nfs/dbraw/zinc/26/32/31/268263231.db2.gz PFBSOAYTEMOHJS-AAEUAGOBSA-N 0 3 293.317 2.110 20 30 CEEDHN CN1CCC(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000334918768 273868100 /nfs/dbraw/zinc/86/81/00/273868100.db2.gz ZBEFTUYXPPLCQI-KRWDZBQOSA-N 0 3 297.402 2.394 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)[C@@H](C)c1cncnc1 ZINC000329221800 276261562 /nfs/dbraw/zinc/26/15/62/276261562.db2.gz VHQMPDNCXGUCQC-JSGCOSHPSA-N 0 3 276.384 2.411 20 30 CEEDHN C=CC1CCN(C(=O)[C@@H]2NCCCC2(C)C)CC1 ZINC000335007198 277821605 /nfs/dbraw/zinc/82/16/05/277821605.db2.gz GQEYFKLGNNSFDK-ZDUSSCGKSA-N 0 3 250.386 2.189 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178504266 278306187 /nfs/dbraw/zinc/30/61/87/278306187.db2.gz ZOUPWVHMTJPRLC-WBVHZDCISA-N 0 3 299.418 2.273 20 30 CEEDHN C[C@@H]1CC[C@@H](CN[C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360676078 278582283 /nfs/dbraw/zinc/58/22/83/278582283.db2.gz MVZMAZQBLWWODU-KYOSRNDESA-N 0 3 271.364 2.110 20 30 CEEDHN CC(C#N)C(=O)N1CCc2cccc(Br)c2C1 ZINC000336000665 279180852 /nfs/dbraw/zinc/18/08/52/279180852.db2.gz IHGPQESGQWSHQA-SECBINFHSA-N 0 3 293.164 2.493 20 30 CEEDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)c1ccc(C#N)cc1 ZINC000354974723 279792020 /nfs/dbraw/zinc/79/20/20/279792020.db2.gz YDILGAURMRMEBH-UHOFOFEASA-N 0 3 274.364 2.403 20 30 CEEDHN COC(=O)[C@@H](C)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000249389701 280395178 /nfs/dbraw/zinc/39/51/78/280395178.db2.gz ZVEBKQZFXXCHFB-NWDGAFQWSA-N 0 3 260.337 2.360 20 30 CEEDHN CCOC[C@H]1CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000154269324 289140710 /nfs/dbraw/zinc/14/07/10/289140710.db2.gz ULJDLPDGKLYZIZ-AWEZNQCLSA-N 0 3 274.364 2.425 20 30 CEEDHN CN(C)CCN(Cc1cc(C#N)cs1)C[C@H]1CCCO1 ZINC000349065470 289144270 /nfs/dbraw/zinc/14/42/70/289144270.db2.gz ZVASZWNJPFNJTG-CQSZACIVSA-N 0 3 293.436 2.162 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](N2CCOCC2)[C@H]1C ZINC000352005663 290246855 /nfs/dbraw/zinc/24/68/55/290246855.db2.gz GBNJGMPQRJGUFV-RKVPGOIHSA-N 0 3 299.418 2.414 20 30 CEEDHN CN1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000539790326 298254544 /nfs/dbraw/zinc/25/45/44/298254544.db2.gz OUGSOXXPVUQYRE-GFCCVEGCSA-N 0 3 277.755 2.036 20 30 CEEDHN CN(C)C1(CNc2ccc3cc(C#N)ccc3n2)CC1 ZINC000563875766 298805158 /nfs/dbraw/zinc/80/51/58/298805158.db2.gz QUJPYTGWIJAEFX-UHFFFAOYSA-N 0 3 266.348 2.034 20 30 CEEDHN C[C@H]1CN(c2cccnc2C#N)CCN(C2CCC2)C1 ZINC000292329344 300300038 /nfs/dbraw/zinc/30/00/38/300300038.db2.gz PIUZBHFRVKLTIB-CYBMUJFWSA-N 0 3 270.380 2.264 20 30 CEEDHN Cc1nn(C)c(C)c1CCCNCc1ccc(C#N)o1 ZINC000182045167 312805693 /nfs/dbraw/zinc/80/56/93/312805693.db2.gz NLXGFELZISFLIT-UHFFFAOYSA-N 0 3 272.352 2.224 20 30 CEEDHN Cn1cc(C(C)(C)NCCOc2ccc(C#N)cc2)cn1 ZINC000545292938 313485382 /nfs/dbraw/zinc/48/53/82/313485382.db2.gz PTAFQWRYOCKSEF-UHFFFAOYSA-N 0 3 284.363 2.195 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CC[C@@H](CC3CC3)C2)c1 ZINC000570181066 314030199 /nfs/dbraw/zinc/03/01/99/314030199.db2.gz SRRODPYWPYDQSX-KRWDZBQOSA-N 0 3 297.402 2.296 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H]([C@@H]3CCOC3)C2)nc1 ZINC000570341527 314035161 /nfs/dbraw/zinc/03/51/61/314035161.db2.gz ITOKNHLWOTWEKS-LSDHHAIUSA-N 0 3 271.364 2.202 20 30 CEEDHN CCN1CCC[C@H](Nc2ncc3c(c2C#N)CCC3)C1 ZINC000576102353 314241476 /nfs/dbraw/zinc/24/14/76/314241476.db2.gz WEXUNVNNJKFMNN-ZDUSSCGKSA-N 0 3 270.380 2.338 20 30 CEEDHN CC(C)(CNCc1cnc2c(C#N)cnn2c1)C(F)(F)F ZINC000579474443 314590254 /nfs/dbraw/zinc/59/02/54/314590254.db2.gz ZFSVNYLFUZFYLE-UHFFFAOYSA-N 0 3 297.284 2.279 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2C)CC1 ZINC000337003619 327948830 /nfs/dbraw/zinc/94/88/30/327948830.db2.gz XGFGMPVTIXSOOD-GXTWGEPZSA-N 0 3 265.401 2.125 20 30 CEEDHN C=C(C)[C@H](CC(=O)NC[C@H]1CCCCN1CC)OCC ZINC000339365191 328008227 /nfs/dbraw/zinc/00/82/27/328008227.db2.gz ZQTUQRQZTNPMBE-CABCVRRESA-N 0 3 282.428 2.348 20 30 CEEDHN C=CCN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000377759126 329028345 /nfs/dbraw/zinc/02/83/45/329028345.db2.gz GTMCCVAHBJFMQT-STQMWFEESA-N 0 3 266.385 2.361 20 30 CEEDHN CN(CCC1(C#N)CCCCC1)[C@H]1CCN2CCO[C@H]1C2 ZINC000411768893 328099413 /nfs/dbraw/zinc/09/94/13/328099413.db2.gz JGWMYIUIBJGNOO-HOTGVXAUSA-N 0 3 291.439 2.255 20 30 CEEDHN C[C@@H](C(=O)NCCCCC#N)N1[C@H](C)CC[C@H]1C ZINC000170902483 329071842 /nfs/dbraw/zinc/07/18/42/329071842.db2.gz VLZPJLDCXLERSG-UPJWGTAASA-N 0 3 251.374 2.058 20 30 CEEDHN C[C@H](C(=O)N(CCC#N)CC1CC1)N1[C@H](C)CC[C@H]1C ZINC000412186555 328105473 /nfs/dbraw/zinc/10/54/73/328105473.db2.gz ZXQBGQCQPIJPMP-MGPQQGTHSA-N 0 3 277.412 2.400 20 30 CEEDHN COC(=O)[C@]1(C)CCCN(CCC(C)(C)C#N)C1 ZINC000412065930 328103644 /nfs/dbraw/zinc/10/36/44/328103644.db2.gz LGKAEDQAZUPWBE-CQSZACIVSA-N 0 3 252.358 2.201 20 30 CEEDHN C=CCN1CC[C@H](N[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1=O ZINC000412067628 328103930 /nfs/dbraw/zinc/10/39/30/328103930.db2.gz HPQQXRFAOFFCGV-MELADBBJSA-N 0 3 294.439 2.345 20 30 CEEDHN C=CCSCCNC(=O)NCCN1CCCC[C@@H]1CC ZINC000172154560 329081794 /nfs/dbraw/zinc/08/17/94/329081794.db2.gz CAVBYNCRODJXDN-AWEZNQCLSA-N 0 3 299.484 2.469 20 30 CEEDHN N=C(Nc1cc(F)ccc1F)NC1CC(F)(F)C1 ZINC000262316191 328148833 /nfs/dbraw/zinc/14/88/33/328148833.db2.gz UOUFSJJNAJBSEG-UHFFFAOYSA-N 0 3 261.222 2.489 20 30 CEEDHN CN(C[C@H](O)COCc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000278538018 328226765 /nfs/dbraw/zinc/22/67/65/328226765.db2.gz FZUAVBSNHJKYPB-BBWFWOEESA-N 0 3 288.391 2.188 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)CCCOC)CC1 ZINC000181696239 329235679 /nfs/dbraw/zinc/23/56/79/329235679.db2.gz KWLRLWMPIDOFRT-CQSZACIVSA-N 0 3 282.428 2.206 20 30 CEEDHN CC(C)(O)CN(CCOCCC#N)Cc1ccccc1 ZINC000294674318 328282187 /nfs/dbraw/zinc/28/21/87/328282187.db2.gz SBCBDXQBWNULIT-UHFFFAOYSA-N 0 3 276.380 2.190 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000283426977 328513733 /nfs/dbraw/zinc/51/37/33/328513733.db2.gz SAVYAJCBYVJKCJ-KBMXLJTQSA-N 0 3 293.432 2.369 20 30 CEEDHN C#CC[C@H](NCCN1CCO[C@H](C)C1)c1ccccc1 ZINC000283456991 328513831 /nfs/dbraw/zinc/51/38/31/328513831.db2.gz YMUMFFQBRZCWJO-WBVHZDCISA-N 0 3 272.392 2.061 20 30 CEEDHN OC[C@@H](NCC#Cc1ccc(F)cc1)C1CCCC1 ZINC000289411859 328526753 /nfs/dbraw/zinc/52/67/53/328526753.db2.gz BCWGBKWEPAXOKJ-MRXNPFEDSA-N 0 3 261.340 2.318 20 30 CEEDHN C#C[C@@H](C)N[C@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000289537524 328527018 /nfs/dbraw/zinc/52/70/18/328527018.db2.gz QGZRCKJCCTXLSD-VXGBXAGGSA-N 0 3 290.363 2.032 20 30 CEEDHN C=CCC[C@@H](O)CNC(C)(C)C(=O)NCC1CCCCC1 ZINC000155256566 327391598 /nfs/dbraw/zinc/39/15/98/327391598.db2.gz WDKPKNZKRGEKOG-OAHLLOKOSA-N 0 3 296.455 2.378 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc2c(c1)CNC2 ZINC000562772625 327514342 /nfs/dbraw/zinc/51/43/42/327514342.db2.gz NWCISRGWJOOFQK-CABCVRRESA-N 0 3 287.363 2.145 20 30 CEEDHN C[C@@H]1C[C@H](NCc2ccc(OCC#N)cc2)[C@H](C)O1 ZINC000295181927 327612883 /nfs/dbraw/zinc/61/28/83/327612883.db2.gz MUWNJUAKJJLHIK-XUJVJEKNSA-N 0 3 260.337 2.244 20 30 CEEDHN C=CCN1CCC(NC(=O)C(C)(C)C2CCOCC2)CC1 ZINC000359470403 328897371 /nfs/dbraw/zinc/89/73/71/328897371.db2.gz DTOBFYHWURAFNP-UHFFFAOYSA-N 0 3 294.439 2.206 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NCc2cnc3n2CCCC3)C1 ZINC000375266987 329002218 /nfs/dbraw/zinc/00/22/18/329002218.db2.gz HRONQADYTOPJMK-QWHCGFSZSA-N 0 3 258.369 2.391 20 30 CEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC(C)(C#N)CC2)C1 ZINC000378129062 329041008 /nfs/dbraw/zinc/04/10/08/329041008.db2.gz AIGAEBMDZWHJEU-INIZCTEOSA-N 0 3 295.402 2.351 20 30 CEEDHN C=C(C)CCNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000458992226 329065269 /nfs/dbraw/zinc/06/52/69/329065269.db2.gz DHTFDBLPPVBPBB-STQMWFEESA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCN1CCC(NC(=O)COc2cccc(C)c2)CC1 ZINC000171725786 329079352 /nfs/dbraw/zinc/07/93/52/329079352.db2.gz URKPUHMNZKDHAM-UHFFFAOYSA-N 0 3 288.391 2.140 20 30 CEEDHN C#CCCCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000174090867 329154260 /nfs/dbraw/zinc/15/42/60/329154260.db2.gz NQHYOWXGZGYXEK-UHFFFAOYSA-N 0 3 299.418 2.364 20 30 CEEDHN CC#CCN1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000175322487 329164912 /nfs/dbraw/zinc/16/49/12/329164912.db2.gz JMOCWZGQPZYIDK-UHFFFAOYSA-N 0 3 284.403 2.347 20 30 CEEDHN CN1CCC(NC(=O)c2cccc(SCC#N)c2)CC1 ZINC000175974387 329173062 /nfs/dbraw/zinc/17/30/62/329173062.db2.gz PPNDXXLISFADEX-UHFFFAOYSA-N 0 3 289.404 2.126 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1C[C@H]2CCCC[C@@H]2C1 ZINC000177562338 329185079 /nfs/dbraw/zinc/18/50/79/329185079.db2.gz LPXZDRLIFCXLJR-HUUCEWRRSA-N 0 3 262.397 2.309 20 30 CEEDHN Cc1nc(CNC(=N)Nc2ccccn2)sc1C ZINC000178581299 329200953 /nfs/dbraw/zinc/20/09/53/329200953.db2.gz SHKBVCYUQPTXSC-UHFFFAOYSA-N 0 3 261.354 2.082 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC000186239907 329340116 /nfs/dbraw/zinc/34/01/16/329340116.db2.gz CDEGBTVHVLMFPK-GOEBONIOSA-N 0 3 264.413 2.435 20 30 CEEDHN C[C@@H]1CN(CCCC(C)(C)C#N)CCN1CC(C)(C)O ZINC000189955607 329390802 /nfs/dbraw/zinc/39/08/02/329390802.db2.gz YGGBZQACBFUQRI-CQSZACIVSA-N 0 3 281.444 2.093 20 30 CEEDHN C=CCN(C)C(=O)NC[C@H](N)c1ccccc1CC ZINC000418644833 329538063 /nfs/dbraw/zinc/53/80/63/329538063.db2.gz CPMNWWURESHDPK-AWEZNQCLSA-N 0 3 261.369 2.076 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(N3CCC3=O)c2)C1 ZINC000571743747 329919386 /nfs/dbraw/zinc/91/93/86/329919386.db2.gz ILSGBEHNZAQCKH-TZMCWYRMSA-N 0 3 269.348 2.205 20 30 CEEDHN C#CCN(CC)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000270372968 330074000 /nfs/dbraw/zinc/07/40/00/330074000.db2.gz DKWKOCOEDZUZAN-HZPDHXFCSA-N 0 3 285.391 2.097 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000422032925 330117836 /nfs/dbraw/zinc/11/78/36/330117836.db2.gz GSRJUSDEXNPIOZ-DLBZAZTESA-N 0 3 299.418 2.312 20 30 CEEDHN C=CCC(CC=C)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000278751281 330118289 /nfs/dbraw/zinc/11/82/89/330118289.db2.gz XAWQQKDIDWCZKL-HNNXBMFYSA-N 0 3 294.439 2.372 20 30 CEEDHN C[C@H]1CCc2nc(NC(=O)[C@@H](N)CCCC#N)sc2C1 ZINC000424066761 330219543 /nfs/dbraw/zinc/21/95/43/330219543.db2.gz NVEMUUUHDXKAIK-UWVGGRQHSA-N 0 3 292.408 2.228 20 30 CEEDHN CC(C)N(Cc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000424075502 330220781 /nfs/dbraw/zinc/22/07/81/330220781.db2.gz JKAWLSCEIUGYBA-HNNXBMFYSA-N 0 3 273.380 2.445 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000424079212 330221466 /nfs/dbraw/zinc/22/14/66/330221466.db2.gz GDMNISSUCFWDTJ-GFCCVEGCSA-N 0 3 283.734 2.116 20 30 CEEDHN CCCCCc1nnc(NC(=O)[C@H](N)CCCC#N)s1 ZINC000424081188 330222112 /nfs/dbraw/zinc/22/21/12/330222112.db2.gz UTVROXCVZAFQAN-SNVBAGLBSA-N 0 3 295.412 2.230 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N(Cc1cccs1)C1CC1 ZINC000424099448 330231593 /nfs/dbraw/zinc/23/15/93/330231593.db2.gz MCESGXQXDVRYND-ZDUSSCGKSA-N 0 3 277.393 2.260 20 30 CEEDHN CCCC[C@H](NC(=O)[C@H](N)CCCC#N)C1CCC1 ZINC000424115677 330243525 /nfs/dbraw/zinc/24/35/25/330243525.db2.gz AWBNEHRHBASHIB-KGLIPLIRSA-N 0 3 265.401 2.483 20 30 CEEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)C(C)(C)c1ccccc1 ZINC000424115520 330243542 /nfs/dbraw/zinc/24/35/42/330243542.db2.gz VKPHTLOVAGVPAA-UKRRQHHQSA-N 0 3 287.407 2.490 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCCc1ccc(F)cc1Cl ZINC000424125247 330258405 /nfs/dbraw/zinc/25/84/05/330258405.db2.gz NPHUUQAUTONGIO-ZDUSSCGKSA-N 0 3 297.761 2.159 20 30 CEEDHN CSc1cc(C)ccc1CNC(=O)[C@H](N)CCCC#N ZINC000424130785 330261945 /nfs/dbraw/zinc/26/19/45/330261945.db2.gz VERBYQSEXXUUHR-CYBMUJFWSA-N 0 3 291.420 2.354 20 30 CEEDHN CC(C)(CNC(=O)[C@H](N)CCCC#N)Cc1ccccc1 ZINC000424131427 330262518 /nfs/dbraw/zinc/26/25/18/330262518.db2.gz VBLSDORHYQDAPB-OAHLLOKOSA-N 0 3 287.407 2.393 20 30 CEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)[C@@H](C)c1ccccc1 ZINC000424134247 330266504 /nfs/dbraw/zinc/26/65/04/330266504.db2.gz YDWVCHGYEBAOAF-VNHYZAJKSA-N 0 3 273.380 2.316 20 30 CEEDHN CN1C(=O)c2ccccc2[C@@H]1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000528006648 330303381 /nfs/dbraw/zinc/30/33/81/330303381.db2.gz YASKQVSFUYKZML-IOASZLSFSA-N 0 3 283.375 2.485 20 30 CEEDHN Cc1ccc(-n2cccn2)cc1NC(=O)[C@H](N)CCCC#N ZINC000424165072 330308434 /nfs/dbraw/zinc/30/84/34/330308434.db2.gz DFVVOLVNKSCIMF-CQSZACIVSA-N 0 3 297.362 2.140 20 30 CEEDHN C=CCn1cc(CN[C@@H]2CCc3ccc(OC)cc3C2)nn1 ZINC000424169262 330310617 /nfs/dbraw/zinc/31/06/17/330310617.db2.gz HSLUHRDIXWTRMB-OAHLLOKOSA-N 0 3 298.390 2.120 20 30 CEEDHN CSc1ccc(CCNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424172092 330311769 /nfs/dbraw/zinc/31/17/69/330311769.db2.gz MYKSTROQTYCDOJ-AWEZNQCLSA-N 0 3 291.420 2.088 20 30 CEEDHN COc1cc(SC)ccc1NC(=O)[C@H](N)CCCC#N ZINC000424176892 330317447 /nfs/dbraw/zinc/31/74/47/330317447.db2.gz YXNYWUVUFUYWBI-LLVKDONJSA-N 0 3 293.392 2.377 20 30 CEEDHN CCC(C)(C)[C@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424179021 330318500 /nfs/dbraw/zinc/31/85/00/330318500.db2.gz YAOHOAUJNVHHAP-CHWSQXEVSA-N 0 3 265.401 2.435 20 30 CEEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCC#N)[C@@H]2CCCC[C@H]21 ZINC000424181008 330319121 /nfs/dbraw/zinc/31/91/21/330319121.db2.gz QJVWCGFUPPSXKX-XJFOESAGSA-N 0 3 263.385 2.045 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000424181035 330319216 /nfs/dbraw/zinc/31/92/16/330319216.db2.gz QMUHOABWFRVWHT-OAHLLOKOSA-N 0 3 283.375 2.082 20 30 CEEDHN CC(C)c1nnc(CCN[C@@H]2CC[C@H](C#N)C2)s1 ZINC000426312651 330503616 /nfs/dbraw/zinc/50/36/16/330503616.db2.gz UDGILANMLZPSKK-WDEREUQCSA-N 0 3 264.398 2.486 20 30 CEEDHN N#CCCC[C@@H](NCCN1CCNC1=O)c1ccccc1 ZINC000433014436 330612171 /nfs/dbraw/zinc/61/21/71/330612171.db2.gz DXEAVLIKIBARBK-OAHLLOKOSA-N 0 3 286.379 2.036 20 30 CEEDHN C=C(C)CS(=O)(=O)NCC1(N(C)C)CCCCCC1 ZINC000435428146 330654880 /nfs/dbraw/zinc/65/48/80/330654880.db2.gz QSAGHYZMIHOKBF-UHFFFAOYSA-N 0 3 288.457 2.137 20 30 CEEDHN Cc1cccc(OC[C@H](O)CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442795514 330784324 /nfs/dbraw/zinc/78/43/24/330784324.db2.gz UIMLVBSRKTUQJS-RBSFLKMASA-N 0 3 274.364 2.017 20 30 CEEDHN CC#CCNC1(c2ccc(OC)c(F)c2)CCOCC1 ZINC000444797433 330826479 /nfs/dbraw/zinc/82/64/79/330826479.db2.gz DGTSPUNCCPJDEQ-UHFFFAOYSA-N 0 3 277.339 2.453 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(N(C)C(C)C)nc1 ZINC000449516823 330932823 /nfs/dbraw/zinc/93/28/23/330932823.db2.gz CPGRGEVTHMEXJZ-CABCVRRESA-N 0 3 275.396 2.359 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000449546478 330935240 /nfs/dbraw/zinc/93/52/40/330935240.db2.gz CFVNEHLNLVVLLB-KGLIPLIRSA-N 0 3 262.309 2.418 20 30 CEEDHN C[C@@H](CO)[C@H](C)NCC#Cc1ccccc1Cl ZINC000450736625 330997083 /nfs/dbraw/zinc/99/70/83/330997083.db2.gz GLNCBTHZDTYQLT-RYUDHWBXSA-N 0 3 251.757 2.298 20 30 CEEDHN C=CCN1CC[C@H](N(C)C[C@H]2CCC(F)(F)C2)C1=O ZINC000450902760 331006001 /nfs/dbraw/zinc/00/60/01/331006001.db2.gz KKTMWCYAAKKLNQ-RYUDHWBXSA-N 0 3 272.339 2.141 20 30 CEEDHN CC[C@@H]1[C@@H](CO)CCN1CC#Cc1ccc(F)cc1 ZINC000451251297 331021978 /nfs/dbraw/zinc/02/19/78/331021978.db2.gz FTDLRSQECMOBMT-GDBMZVCRSA-N 0 3 261.340 2.270 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(C(C)C)C1CCCC1 ZINC000451603470 331035975 /nfs/dbraw/zinc/03/59/75/331035975.db2.gz CORGXKURMKUTGO-CABCVRRESA-N 0 3 280.412 2.099 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cccc(C)c1C ZINC000451608591 331036598 /nfs/dbraw/zinc/03/65/98/331036598.db2.gz SONRHJBIVFHBJH-CABCVRRESA-N 0 3 274.364 2.175 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCCc2ccccc2CC1 ZINC000451734124 331040617 /nfs/dbraw/zinc/04/06/17/331040617.db2.gz BWPDAKKVFOTZTH-HNNXBMFYSA-N 0 3 299.418 2.238 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN([C@H](C)CC)CC1 ZINC000451830486 331044023 /nfs/dbraw/zinc/04/40/23/331044023.db2.gz YOEWICQZYAPRCN-HZPDHXFCSA-N 0 3 295.471 2.216 20 30 CEEDHN OCCC[C@@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000452119172 331054969 /nfs/dbraw/zinc/05/49/69/331054969.db2.gz KUHZEJGWEBATMI-OAHLLOKOSA-N 0 3 261.340 2.272 20 30 CEEDHN C=CCn1cccc1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452170226 331057013 /nfs/dbraw/zinc/05/70/13/331057013.db2.gz HXIOVLCCYSRFNY-CQSZACIVSA-N 0 3 287.407 2.230 20 30 CEEDHN CC#CCCCC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452172905 331057201 /nfs/dbraw/zinc/05/72/01/331057201.db2.gz LLZDEZORAMJBJL-CQSZACIVSA-N 0 3 262.397 2.123 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452582699 331069667 /nfs/dbraw/zinc/06/96/67/331069667.db2.gz XPTJXITVLREYLV-WMLDXEAASA-N 0 3 294.439 2.158 20 30 CEEDHN CCOC1(C)CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000452698232 331072514 /nfs/dbraw/zinc/07/25/14/331072514.db2.gz RFSHQDVBMIAGQL-HNNXBMFYSA-N 0 3 286.375 2.396 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000452948869 331081674 /nfs/dbraw/zinc/08/16/74/331081674.db2.gz KIXPINYKUHGIHH-PMPSAXMXSA-N 0 3 292.423 2.243 20 30 CEEDHN C=CCOc1ccccc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000453033599 331084378 /nfs/dbraw/zinc/08/43/78/331084378.db2.gz KHDBOZOLBGYDNS-HIFRSBDPSA-N 0 3 286.375 2.028 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2C[C@H]2CC)CC1 ZINC000454459647 331146634 /nfs/dbraw/zinc/14/66/34/331146634.db2.gz HGNORDXOMUDZRD-KGLIPLIRSA-N 0 3 279.428 2.372 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C(C)(F)F)CC1 ZINC000454462246 331146693 /nfs/dbraw/zinc/14/66/93/331146693.db2.gz KIKJZCHQXNEQHD-LLVKDONJSA-N 0 3 289.370 2.370 20 30 CEEDHN C=CC(C)(C)CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000454623912 331149961 /nfs/dbraw/zinc/14/99/61/331149961.db2.gz SGNZGWHKLHHLGJ-ZDUSSCGKSA-N 0 3 267.417 2.372 20 30 CEEDHN C=C(C)CCNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000454645645 331150366 /nfs/dbraw/zinc/15/03/66/331150366.db2.gz PIDHCILVELEDCW-CQSZACIVSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(C)C[C@@H]1CCCN1CC ZINC000455364621 331167278 /nfs/dbraw/zinc/16/72/78/331167278.db2.gz JPMSUMSOXGVVOI-ZDUSSCGKSA-N 0 3 267.417 2.324 20 30 CEEDHN CN(C)CCNC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455706690 331175966 /nfs/dbraw/zinc/17/59/66/331175966.db2.gz QPCLYJDDCLQCED-UHFFFAOYSA-N 0 3 280.759 2.089 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)Nc2cccc(CC#N)c2)CCCN1C ZINC000455904013 331180234 /nfs/dbraw/zinc/18/02/34/331180234.db2.gz JEPHAVPUHKMPSY-WFASDCNBSA-N 0 3 286.379 2.357 20 30 CEEDHN CO[C@@H]1CCC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000456192305 331186325 /nfs/dbraw/zinc/18/63/25/331186325.db2.gz OVTGXFUBRVJWAM-BZUAXINKSA-N 0 3 286.375 2.443 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H](C)N1CCCCCC1 ZINC000456258861 331187680 /nfs/dbraw/zinc/18/76/80/331187680.db2.gz GVWJLXBQRKGSNE-KFWWJZLASA-N 0 3 280.412 2.101 20 30 CEEDHN C=C(CC)CNC(=O)c1ccccc1OCCN(C)C ZINC000456826155 331206157 /nfs/dbraw/zinc/20/61/57/331206157.db2.gz IIFAJRLZWCFQJA-UHFFFAOYSA-N 0 3 276.380 2.323 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)c1cccc(SCC#N)c1 ZINC000457214685 331216196 /nfs/dbraw/zinc/21/61/96/331216196.db2.gz XIUDXIUXYNPTEX-UHFFFAOYSA-N 0 3 291.420 2.372 20 30 CEEDHN C=C(C)CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000457910722 331237462 /nfs/dbraw/zinc/23/74/62/331237462.db2.gz KKHDCAUPVVUPSC-MRXNPFEDSA-N 0 3 289.423 2.425 20 30 CEEDHN C=CCSCCNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458074022 331242288 /nfs/dbraw/zinc/24/22/88/331242288.db2.gz FJZLTPXTENFJJD-OAHLLOKOSA-N 0 3 297.468 2.033 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCC(C)(C)CC#N ZINC000458344623 331249523 /nfs/dbraw/zinc/24/95/23/331249523.db2.gz QFGLOKQNEVKJJH-ZIAGYGMSSA-N 0 3 294.443 2.488 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000458700883 331257208 /nfs/dbraw/zinc/25/72/08/331257208.db2.gz FQSAFZFRYHSDAB-AWEZNQCLSA-N 0 3 292.427 2.194 20 30 CEEDHN C=CCCCS(=O)(=O)N(C)C1CCN(CCC)CC1 ZINC000489118793 332042064 /nfs/dbraw/zinc/04/20/64/332042064.db2.gz VCTBLQVZPHKSTO-UHFFFAOYSA-N 0 3 288.457 2.089 20 30 CEEDHN C=CCCCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000490355682 332087216 /nfs/dbraw/zinc/08/72/16/332087216.db2.gz VZFWFUMKZMIECO-RRFJBIMHSA-N 0 3 279.428 2.324 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C)CCC(C)C)CC1 ZINC000490575155 332092955 /nfs/dbraw/zinc/09/29/55/332092955.db2.gz MODRCWZTGQJKTP-CQSZACIVSA-N 0 3 264.413 2.273 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](c1ccccc1C)C1CC1 ZINC000490924218 332129867 /nfs/dbraw/zinc/12/98/67/332129867.db2.gz OGLOIDXYIUERDP-BBRMVZONSA-N 0 3 270.376 2.174 20 30 CEEDHN C#CCNC(=O)C1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000491100299 332149786 /nfs/dbraw/zinc/14/97/86/332149786.db2.gz GGNOGFHIEAJWOB-ZDUSSCGKSA-N 0 3 288.366 2.348 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cn(CC)c2ccccc12 ZINC000491229639 332170146 /nfs/dbraw/zinc/17/01/46/332170146.db2.gz INVZNUCCROPZIH-UHFFFAOYSA-N 0 3 297.402 2.346 20 30 CEEDHN C#CCNC(=O)CCN[C@@H]1CCSc2ccc(F)cc21 ZINC000491241057 332172306 /nfs/dbraw/zinc/17/23/06/332172306.db2.gz GHXOZEKSKZXELK-CYBMUJFWSA-N 0 3 292.379 2.092 20 30 CEEDHN C#CCNC(=O)CCNCc1ccc(C)cc1OCCC ZINC000491417508 332208024 /nfs/dbraw/zinc/20/80/24/332208024.db2.gz NMGLZFZQJUXUHN-UHFFFAOYSA-N 0 3 288.391 2.013 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(CC)s1 ZINC000491513056 332226229 /nfs/dbraw/zinc/22/62/29/332226229.db2.gz ACRGEUFJYPMYSU-UHFFFAOYSA-N 0 3 293.436 2.065 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@]2(CC)C(C)C)CC1 ZINC000491554220 332236545 /nfs/dbraw/zinc/23/65/45/332236545.db2.gz HGCYBMGHIAAVED-DOTOQJQBSA-N 0 3 276.424 2.273 20 30 CEEDHN C#C[C@H](CCC)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000491621687 332246919 /nfs/dbraw/zinc/24/69/19/332246919.db2.gz DGESKSVFUJIQTI-DLBZAZTESA-N 0 3 299.418 2.212 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000491682879 332285566 /nfs/dbraw/zinc/28/55/66/332285566.db2.gz VJRSTLBEGGAXEG-RHSMWYFYSA-N 0 3 299.418 2.174 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000575397715 335100072 /nfs/dbraw/zinc/10/00/72/335100072.db2.gz DGISGPUSBVBQCZ-LURJTMIESA-N 0 3 292.286 2.122 20 30 CEEDHN C#C[C@H](NCc1ccccc1C(=O)N(C)C)C(C)C ZINC000491736877 332317065 /nfs/dbraw/zinc/31/70/65/332317065.db2.gz VJASWXCBAPGRLM-HNNXBMFYSA-N 0 3 258.365 2.136 20 30 CEEDHN C#C[C@H](NCc1ccc2c(c1)sc(=O)n2C)C(C)C ZINC000491808566 332361513 /nfs/dbraw/zinc/36/15/13/332361513.db2.gz WJYNIBYWZPONAB-LBPRGKRZSA-N 0 3 274.389 2.347 20 30 CEEDHN CC(C)(C)OC(=O)N[C@H]1CCCCCC1=Nn1cnnc1 ZINC000496462871 332550301 /nfs/dbraw/zinc/55/03/01/332550301.db2.gz UBNRXHMLAMZNOV-NSHDSACASA-N 0 3 293.371 2.340 20 30 CEEDHN C#C[C@@H](NC[C@H](O)c1ccc(F)cc1F)C(C)C ZINC000305966146 333002783 /nfs/dbraw/zinc/00/27/83/333002783.db2.gz XWKFYDGHCDAZDW-KGLIPLIRSA-N 0 3 253.292 2.246 20 30 CEEDHN C#CCN(C[C@H](O)COc1ccccc1F)C1CCCC1 ZINC000176920470 333050538 /nfs/dbraw/zinc/05/05/38/333050538.db2.gz UCKRCQFLZBPQGP-HNNXBMFYSA-N 0 3 291.366 2.443 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC000177348556 333057806 /nfs/dbraw/zinc/05/78/06/333057806.db2.gz KMLCWMBENXKFOZ-ZFWWWQNUSA-N 0 3 250.386 2.189 20 30 CEEDHN CC1(C)[C@H](NCC#Cc2ccccc2Cl)C[C@@H]1O ZINC000521267023 333116695 /nfs/dbraw/zinc/11/66/95/333116695.db2.gz KCIHYFVNXRIJOT-KGLIPLIRSA-N 0 3 263.768 2.441 20 30 CEEDHN Cc1cnn(CCNC2CC(C#N)(c3ccccc3)C2)c1 ZINC000219182055 333143838 /nfs/dbraw/zinc/14/38/38/333143838.db2.gz OIYUBOADJJNGBH-UHFFFAOYSA-N 0 3 280.375 2.405 20 30 CEEDHN CC(C)c1[nH]ccc1C(=O)C(C#N)c1ccncn1 ZINC000521883816 333195603 /nfs/dbraw/zinc/19/56/03/333195603.db2.gz MWDDDYYJELFIPF-LLVKDONJSA-N 0 3 254.293 2.418 20 30 CEEDHN CCS[C@H]1CCCC[C@@H]1NCC(=O)N(CC)CCC#N ZINC000190045383 333202541 /nfs/dbraw/zinc/20/25/41/333202541.db2.gz GWVGMXVRAVFBKT-KBPBESRZSA-N 0 3 297.468 2.402 20 30 CEEDHN C#CCCCCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000224435349 333220735 /nfs/dbraw/zinc/22/07/35/333220735.db2.gz LYFWVUOKBJGYCM-CQSZACIVSA-N 0 3 295.379 2.437 20 30 CEEDHN C[C@H](O)CCCNC1CC(C#N)(c2ccccc2)C1 ZINC000228030849 333293243 /nfs/dbraw/zinc/29/32/43/333293243.db2.gz VRLVQRRWPCEYDQ-JEYLPNPQSA-N 0 3 258.365 2.361 20 30 CEEDHN CC(C)(C)CC(=O)N1CCC(NCC2(C#N)CC2)CC1 ZINC000575937148 335133889 /nfs/dbraw/zinc/13/38/89/335133889.db2.gz NFIVKBRRQGXHCY-UHFFFAOYSA-N 0 3 277.412 2.307 20 30 CEEDHN COc1ccc([C@@H](CO)N(C)CCCSCC#N)cc1 ZINC000074990901 334022241 /nfs/dbraw/zinc/02/22/41/334022241.db2.gz CSESLTYLMBEXRA-OAHLLOKOSA-N 0 3 294.420 2.307 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000135010911 334112115 /nfs/dbraw/zinc/11/21/15/334112115.db2.gz GCAOLTOUMPPBCS-DZGCQCFKSA-N 0 3 250.386 2.285 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]2CCC[C@H]21 ZINC000245455389 334194418 /nfs/dbraw/zinc/19/44/18/334194418.db2.gz SOMXDLOALJZZSJ-RBSFLKMASA-N 0 3 277.412 2.259 20 30 CEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000550141584 334214153 /nfs/dbraw/zinc/21/41/53/334214153.db2.gz DNXPGFVCYIZJFB-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C(CC)CN1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000565173269 334542698 /nfs/dbraw/zinc/54/26/98/334542698.db2.gz PJKQCJLLNDCSEE-CYBMUJFWSA-N 0 3 250.386 2.189 20 30 CEEDHN CCN(CC)C(=O)C1CCN([C@@H](C)CCC#N)CC1 ZINC000566301737 334641472 /nfs/dbraw/zinc/64/14/72/334641472.db2.gz ONHGRHBASGNMMG-ZDUSSCGKSA-N 0 3 265.401 2.259 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC2(CCCC2)CC1 ZINC000158400279 334799312 /nfs/dbraw/zinc/79/93/12/334799312.db2.gz VEHSTXNOIFEHFA-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN C[C@H]1CCC[C@](C#N)(NC(=O)C2CCN(C3CC3)CC2)C1 ZINC000192785751 335304793 /nfs/dbraw/zinc/30/47/93/335304793.db2.gz STTITCZIJPHRBX-GUYCJALGSA-N 0 3 289.423 2.449 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000176586532 335307536 /nfs/dbraw/zinc/30/75/36/335307536.db2.gz QJZFIOHPODIIEJ-KBPBESRZSA-N 0 3 277.412 2.078 20 30 CEEDHN Cc1ccccc1[C@H](CC(C)C)NCC(=O)NCC#N ZINC000183249660 335882807 /nfs/dbraw/zinc/88/28/07/335882807.db2.gz JLUSNGKGZRSPOR-HNNXBMFYSA-N 0 3 273.380 2.312 20 30 CEEDHN C[C@@H]1NC(=O)CC[C@H]1NC(=O)CC1CCN(C)CC1 ZINC000330188395 534092056 /nfs/dbraw/zinc/09/20/56/534092056.db2.gz LDCARPJCNODQMP-CMPLNLGQSA-N 0 3 267.373 2.182 20 30 CEEDHN COc1ccccc1C[C@@H]1CCCN1C(=O)C(C)C#N ZINC000347036467 534110397 /nfs/dbraw/zinc/11/03/97/534110397.db2.gz MBYRCQKUKVNDHL-JSGCOSHPSA-N 0 3 272.348 2.388 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000347042361 534282696 /nfs/dbraw/zinc/28/26/96/534282696.db2.gz VAIPAVNXOYXOBI-BPLDGKMQSA-N 0 3 272.348 2.430 20 30 CEEDHN C#C[C@@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000185970958 518348234 /nfs/dbraw/zinc/34/82/34/518348234.db2.gz CJBZPWIJOYVLGI-ZBFHGGJFSA-N 0 3 285.391 2.144 20 30 CEEDHN Cc1noc2ncc(C(=O)NCC3=CCN(C)CC3)cc12 ZINC000329180070 534487659 /nfs/dbraw/zinc/48/76/59/534487659.db2.gz DGQAWKDXHUCXTE-UHFFFAOYSA-N 0 3 286.335 2.098 20 30 CEEDHN N#CCC[C@@H](NC(=O)N1CCCNCC1)c1ccccc1 ZINC000417920201 534655293 /nfs/dbraw/zinc/65/52/93/534655293.db2.gz QOCQQVNAPREIRK-OAHLLOKOSA-N 0 3 286.379 2.036 20 30 CEEDHN CC[C@H](C)N1CCN(Cc2cccc(C#N)c2)CC1 ZINC000055066350 523957164 /nfs/dbraw/zinc/95/71/64/523957164.db2.gz UWJLUDJQXHCROY-AWEZNQCLSA-N 0 3 257.381 2.474 20 30 CEEDHN C[C@H](F)CCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366358279 524805112 /nfs/dbraw/zinc/80/51/12/524805112.db2.gz JTWDIEUBNHSMPB-AAEUAGOBSA-N 0 3 263.316 2.154 20 30 CEEDHN C=CCN(CCC(=O)N(C)C)Cc1cccs1 ZINC000353870060 526271216 /nfs/dbraw/zinc/27/12/16/526271216.db2.gz RKLVDCIMTJJYKC-UHFFFAOYSA-N 0 3 252.383 2.214 20 30 CEEDHN C=CCN1CCC(NC(=O)CO[C@@H]2CCCC[C@H]2C)CC1 ZINC000353838582 526421896 /nfs/dbraw/zinc/42/18/96/526421896.db2.gz WJYWMJWQEBOQMY-GDBMZVCRSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](C)C2)CC1 ZINC000336518947 526427564 /nfs/dbraw/zinc/42/75/64/526427564.db2.gz HGDGTOVPMZZRGH-ZDUSSCGKSA-N 0 3 265.401 2.078 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)C[C@H]2C)CC1 ZINC000336013505 526588914 /nfs/dbraw/zinc/58/89/14/526588914.db2.gz ITDZEEZIGIUQAJ-UONOGXRCSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000347596397 526593779 /nfs/dbraw/zinc/59/37/79/526593779.db2.gz IMJYJZHJXSFYOG-STQMWFEESA-N 0 3 295.427 2.145 20 30 CEEDHN N#Cc1ccc(CCC(=O)N2CCCN(C3CC3)CC2)cc1 ZINC000149075448 526606567 /nfs/dbraw/zinc/60/65/67/526606567.db2.gz OXMQJGOLPVEQPX-UHFFFAOYSA-N 0 3 297.402 2.188 20 30 CEEDHN N#Cc1ccc(OCCN2CCC[C@H](n3cccn3)C2)cc1 ZINC000365129431 526674450 /nfs/dbraw/zinc/67/44/50/526674450.db2.gz ZJLRSUMZWCXGSV-INIZCTEOSA-N 0 3 296.374 2.471 20 30 CEEDHN N#Cc1ncn(C2CCN([C@@H]3C[C@H]3c3ccccc3)CC2)n1 ZINC000365830809 526796634 /nfs/dbraw/zinc/79/66/34/526796634.db2.gz JULFEISMWWHDAL-JKSUJKDBSA-N 0 3 293.374 2.343 20 30 CEEDHN C=C(CNC(=O)N1CCN[C@@H](C)[C@H]1C)c1ccccc1 ZINC000334928324 526867670 /nfs/dbraw/zinc/86/76/70/526867670.db2.gz IOJDLXGYEBQRGT-UONOGXRCSA-N 0 3 273.380 2.092 20 30 CEEDHN Cc1nccn1CCN[C@H](C)c1ccc(C#N)cc1 ZINC000049330215 527432773 /nfs/dbraw/zinc/43/27/73/527432773.db2.gz UKVYQSHUEWEKCZ-GFCCVEGCSA-N 0 3 254.337 2.414 20 30 CEEDHN CC(C)(C#N)CNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000334883803 527482507 /nfs/dbraw/zinc/48/25/07/527482507.db2.gz RBBRSEGNHHUZBO-UHFFFAOYSA-N 0 3 290.342 2.143 20 30 CEEDHN CC(C)CCOC1CCN(C(=O)C(C)C#N)CC1 ZINC000347040611 527745049 /nfs/dbraw/zinc/74/50/49/527745049.db2.gz RHRRDRQMKXUSLV-GFCCVEGCSA-N 0 3 252.358 2.200 20 30 CEEDHN CC(C)CN1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000177258097 528007613 /nfs/dbraw/zinc/00/76/13/528007613.db2.gz QFGNXNALMRGFLS-UHFFFAOYSA-N 0 3 275.371 2.471 20 30 CEEDHN CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)s1 ZINC000359894670 528046473 /nfs/dbraw/zinc/04/64/73/528046473.db2.gz GGGZXCUKXHJDHO-BVUQATHDSA-N 0 3 262.378 2.498 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)NCC(C)(C)C#N ZINC000355090784 528081175 /nfs/dbraw/zinc/08/11/75/528081175.db2.gz YWYCRGKWVLPFMS-UHFFFAOYSA-N 0 3 294.443 2.444 20 30 CEEDHN CCOc1cc2c(cc1CNC(=O)C(C)C#N)O[C@H](C)C2 ZINC000347054363 528340783 /nfs/dbraw/zinc/34/07/83/528340783.db2.gz TWGNFGRVNQZEJH-GHMZBOCLSA-N 0 3 288.347 2.185 20 30 CEEDHN CCCCOc1ncccc1CNC(=O)C(C)C#N ZINC000347031097 528709445 /nfs/dbraw/zinc/70/94/45/528709445.db2.gz DUJMUUHCYBMKTC-LLVKDONJSA-N 0 3 261.325 2.036 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)NCC(C)(C)C#N ZINC000353553362 529200902 /nfs/dbraw/zinc/20/09/02/529200902.db2.gz RSTKHJLWUKBTJU-ZDUSSCGKSA-N 0 3 280.416 2.100 20 30 CEEDHN CN1CCN(N=C2CCCC[C@H]2N2CCCCC2)CC1 ZINC000748778566 574440841 /nfs/dbraw/zinc/44/08/41/574440841.db2.gz NXRBHTHFYGYBNM-MRXNPFEDSA-N 0 3 278.444 2.018 20 30 CEEDHN C[C@@H](CO)NN=C1CCCC[C@@H]1N1C[C@H](C)C[C@H](C)C1 ZINC000751529875 574470438 /nfs/dbraw/zinc/47/04/38/574470438.db2.gz UDLVYPWJZSWFGJ-FQLMCAECSA-N 0 3 281.444 2.233 20 30 CEEDHN CNC(=S)NN=C1CCCC[C@@H]1N1C[C@@H](C)C[C@H](C)C1 ZINC000751516287 574469982 /nfs/dbraw/zinc/46/99/82/574469982.db2.gz HHSPGCBFRBTGND-OBJOEFQTSA-N 0 3 296.484 2.357 20 30 CEEDHN C=CCN1CCC(NC(=O)NC2(C)CC(F)(F)C2)CC1 ZINC000875248081 649895835 /nfs/dbraw/zinc/89/58/35/649895835.db2.gz MQWNXOMJSSGBSY-UHFFFAOYSA-N 0 3 287.354 2.124 20 30 CEEDHN C=CCOCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000729889662 574494275 /nfs/dbraw/zinc/49/42/75/574494275.db2.gz SAXWLJVCOSTWDJ-JTQLQIEISA-N 0 3 292.722 2.190 20 30 CEEDHN C=C(CN(C)C)C(=O)NCCCCOc1ccc(F)cc1 ZINC000764190102 574595931 /nfs/dbraw/zinc/59/59/31/574595931.db2.gz WSJXHCZWDXZCNW-UHFFFAOYSA-N 0 3 294.370 2.219 20 30 CEEDHN CC(C)n1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2)n1 ZINC000733678775 574683939 /nfs/dbraw/zinc/68/39/39/574683939.db2.gz JEWRNQDHEYOQTK-CYBMUJFWSA-N 0 3 296.330 2.425 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000736674471 574794302 /nfs/dbraw/zinc/79/43/02/574794302.db2.gz TVDAPTVKYZNDKD-KWQFWETISA-N 0 3 286.253 2.015 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2cc(F)ccc2F)CC1 ZINC000740737614 574967263 /nfs/dbraw/zinc/96/72/63/574967263.db2.gz UDGGNAJEVBFSFY-UHFFFAOYSA-N 0 3 292.329 2.182 20 30 CEEDHN CCCCCCCN1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000740874794 574970804 /nfs/dbraw/zinc/97/08/04/574970804.db2.gz JEKKCLQPDMKWIQ-AWEZNQCLSA-N 0 3 290.473 2.218 20 30 CEEDHN C#CCOC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000741316892 574981934 /nfs/dbraw/zinc/98/19/34/574981934.db2.gz JNJYTIKWRCTXNG-OAHLLOKOSA-N 0 3 257.333 2.075 20 30 CEEDHN C[C@@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000741451772 574987448 /nfs/dbraw/zinc/98/74/48/574987448.db2.gz VLTZBZYWVCDXIU-SNVBAGLBSA-N 0 3 262.313 2.477 20 30 CEEDHN C=C(C)CNC(=S)NC1C[C@H]2CCC[C@@H](C1)N2C ZINC000743006321 575039017 /nfs/dbraw/zinc/03/90/17/575039017.db2.gz YCGOJYLQJRDIFR-YHWZYXNKSA-N 0 3 267.442 2.042 20 30 CEEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)COC)c1 ZINC000743476987 575104901 /nfs/dbraw/zinc/10/49/01/575104901.db2.gz ODDKHJJXSJZXNF-OCCSQVGLSA-N 0 3 262.353 2.492 20 30 CEEDHN C#CCCN1CCC(NC(=O)C[C@@H](C)c2cccnc2)CC1 ZINC000743491176 575105424 /nfs/dbraw/zinc/10/54/24/575105424.db2.gz CDGDZVKYDIKMMD-OAHLLOKOSA-N 0 3 299.418 2.179 20 30 CEEDHN C#CCCN1CCC(NC(=O)CCC(C)(C)C)CC1 ZINC000743491032 575105453 /nfs/dbraw/zinc/10/54/53/575105453.db2.gz BASBSVZSPRMNIN-UHFFFAOYSA-N 0 3 264.413 2.417 20 30 CEEDHN C#CCCN1CCC(NC(=O)[C@H](C)Cc2ccccc2)CC1 ZINC000743492974 575105468 /nfs/dbraw/zinc/10/54/68/575105468.db2.gz CPHLJAQQROMNOX-MRXNPFEDSA-N 0 3 298.430 2.469 20 30 CEEDHN C[C@@H](C(=O)C(C#N)C(=O)NCc1ccccc1)c1ccco1 ZINC000744027530 575112347 /nfs/dbraw/zinc/11/23/47/575112347.db2.gz XWIZUXHVPVFDNS-TZMCWYRMSA-N 0 3 296.326 2.408 20 30 CEEDHN C=CCOc1ccccc1C(=O)NCCN1CCC[C@H]1C ZINC000744346585 575119474 /nfs/dbraw/zinc/11/94/74/575119474.db2.gz ZSCNJDIVOPWSDX-CQSZACIVSA-N 0 3 288.391 2.466 20 30 CEEDHN Cc1ccc(CCC(=O)C(C#N)C(=O)Nc2ccccn2)o1 ZINC000747105615 575167162 /nfs/dbraw/zinc/16/71/62/575167162.db2.gz FEVPDFGPGKFOTM-ZDUSSCGKSA-N 0 3 297.314 2.263 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C#Cc1ccccc1 ZINC000747384790 575169916 /nfs/dbraw/zinc/16/99/16/575169916.db2.gz ZCLFRWQGAHUMBY-HZPDHXFCSA-N 0 3 284.403 2.417 20 30 CEEDHN C[C@@H]1CN(CC/N=C/c2cc(Cl)ccc2O)CCO1 ZINC000750949952 575280376 /nfs/dbraw/zinc/28/03/76/575280376.db2.gz KWGHJZXBNHJNSA-LKBVRNOZSA-N 0 3 282.771 2.185 20 30 CEEDHN C#C[C@H](CC)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000753124150 575320172 /nfs/dbraw/zinc/32/01/72/575320172.db2.gz AJJITLKKYQHUAJ-GOEBONIOSA-N 0 3 287.407 2.218 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC000968274471 613014862 /nfs/dbraw/zinc/01/48/62/613014862.db2.gz MBIGQRRYMMTKQA-HUUCEWRRSA-N 0 3 274.408 2.193 20 30 CEEDHN C[C@H]([NH2+]CCCCC#N)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824584480 609141016 /nfs/dbraw/zinc/14/10/16/609141016.db2.gz BLDWDJXQFVQHJT-JTQLQIEISA-N 0 3 288.330 2.350 20 30 CEEDHN C[C@H]([NH2+]CCCCC#N)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824584480 609141018 /nfs/dbraw/zinc/14/10/18/609141018.db2.gz BLDWDJXQFVQHJT-JTQLQIEISA-N 0 3 288.330 2.350 20 30 CEEDHN C#CCCC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823841935 609336698 /nfs/dbraw/zinc/33/66/98/609336698.db2.gz VUIBVKOSCLNBPU-SNVBAGLBSA-N 0 3 273.315 2.070 20 30 CEEDHN C#CCCC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823841935 609336700 /nfs/dbraw/zinc/33/67/00/609336700.db2.gz VUIBVKOSCLNBPU-SNVBAGLBSA-N 0 3 273.315 2.070 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)CCc2cccc(Cl)c2)C1 ZINC000969491874 612960594 /nfs/dbraw/zinc/96/05/94/612960594.db2.gz WAMRTURDTLQEBB-OAHLLOKOSA-N 0 3 290.794 2.096 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](CC)CC2CCCC2)C1 ZINC000970165766 612962209 /nfs/dbraw/zinc/96/22/09/612962209.db2.gz VXINFWFSQKQVNI-JKSUJKDBSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](F)CC2CCCCC2)C1 ZINC000970487652 612962332 /nfs/dbraw/zinc/96/23/32/612962332.db2.gz LNNJQYOBBGTXTM-CABCVRRESA-N 0 3 280.387 2.119 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cccc(C)c2Cl)C1 ZINC000970300388 612966257 /nfs/dbraw/zinc/96/62/57/612966257.db2.gz UKYMCXXOZLWELH-GFCCVEGCSA-N 0 3 276.767 2.086 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000970541871 612994499 /nfs/dbraw/zinc/99/44/99/612994499.db2.gz WZWAFEVURBYVMT-OLMNPRSZSA-N 0 3 296.414 2.250 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cccc3[nH]ccc32)C1 ZINC000970469235 612995619 /nfs/dbraw/zinc/99/56/19/612995619.db2.gz AKZYYCAKFZASHS-CYBMUJFWSA-N 0 3 295.386 2.241 20 30 CEEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1cncs1 ZINC000968773701 613001426 /nfs/dbraw/zinc/00/14/26/613001426.db2.gz DRSZIDVXWUQBDS-CYBMUJFWSA-N 0 3 291.420 2.141 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC000968369326 613013767 /nfs/dbraw/zinc/01/37/67/613013767.db2.gz ISMZYKLEBXLDPR-WBMJQRKESA-N 0 3 287.407 2.095 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC000966912216 613013851 /nfs/dbraw/zinc/01/38/51/613013851.db2.gz FFHOHVXMGUCRDU-DOMZBBRYSA-N 0 3 287.407 2.095 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ncc(C)cc2C)C1 ZINC000967420486 613014713 /nfs/dbraw/zinc/01/47/13/613014713.db2.gz UYGUHUCBLHNDLQ-ZBFHGGJFSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC000968300664 613022622 /nfs/dbraw/zinc/02/26/22/613022622.db2.gz RESQYAISCPCABD-ZFWWWQNUSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC000966632396 613022898 /nfs/dbraw/zinc/02/28/98/613022898.db2.gz KPIRVLCHYKDMQE-BBRMVZONSA-N 0 3 299.418 2.356 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC000967418402 613024344 /nfs/dbraw/zinc/02/43/44/613024344.db2.gz ADBJDPGBKWIOKF-SUMWQHHRSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2CC23CCC3)C(C)(C)C1 ZINC000975103658 613031777 /nfs/dbraw/zinc/03/17/77/613031777.db2.gz LHEAWOXCQGGMBT-ZIAGYGMSSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)oc2C)C(C)(C)C1 ZINC000972798441 613032510 /nfs/dbraw/zinc/03/25/10/613032510.db2.gz FCDCCFBDGAUYRS-OAHLLOKOSA-N 0 3 288.391 2.360 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccoc2C)C(C)(C)C1 ZINC000972792744 613032921 /nfs/dbraw/zinc/03/29/21/613032921.db2.gz AMINWMJWUQFPJJ-CQSZACIVSA-N 0 3 274.364 2.052 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cocc2C)C(C)(C)C1 ZINC000974918485 613033220 /nfs/dbraw/zinc/03/32/20/613033220.db2.gz HOJANNFJQDFUAG-CQSZACIVSA-N 0 3 274.364 2.052 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2Cc3ccccc32)CC1 ZINC000948735248 613161863 /nfs/dbraw/zinc/16/18/63/613161863.db2.gz YUAMJUGZCIDAKM-SJLPKXTDSA-N 0 3 296.414 2.272 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)C2CCCC2)CC1 ZINC000948146294 613177698 /nfs/dbraw/zinc/17/76/98/613177698.db2.gz VHGPHXGVWRNKRB-HNNXBMFYSA-N 0 3 262.397 2.123 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=C)C)CC2(C)C)cn1 ZINC000977519764 613186727 /nfs/dbraw/zinc/18/67/27/613186727.db2.gz YUKBPPUJSHNPGM-MRXNPFEDSA-N 0 3 297.402 2.079 20 30 CEEDHN C#Cc1cncc(C(=O)NC[C@H]2CCCCCN2CC=C)c1 ZINC000969023362 613217804 /nfs/dbraw/zinc/21/78/04/613217804.db2.gz PYQTUMSZPLOCBI-QGZVFWFLSA-N 0 3 297.402 2.223 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ZINC001024417041 625549982 /nfs/dbraw/zinc/54/99/82/625549982.db2.gz PHZCQFMSJDKMHC-HZPDHXFCSA-N 0 3 294.439 2.350 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001021028329 623017047 /nfs/dbraw/zinc/01/70/47/623017047.db2.gz KBLWKXZBBRPJCE-JOCQHMNTSA-N 0 3 295.814 2.245 20 30 CEEDHN CC(COC(=O)c1ccc(C(C)(C)C#N)cc1)[N+](=O)[O-] ZINC000813110224 623044543 /nfs/dbraw/zinc/04/45/43/623044543.db2.gz VEYPTUXXVYVFQX-SNVBAGLBSA-N 0 3 276.292 2.310 20 30 CEEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C=C2CCC2)C1 ZINC001021558356 623287207 /nfs/dbraw/zinc/28/72/07/623287207.db2.gz HSDRHZIRAZKFSO-IRXDYDNUSA-N 0 3 286.419 2.433 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2[nH]ccc2C)C1 ZINC001021572740 623304609 /nfs/dbraw/zinc/30/46/09/623304609.db2.gz CKOKWASEIQDZCT-HZPDHXFCSA-N 0 3 299.418 2.273 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1ccoc1 ZINC000175940442 623322561 /nfs/dbraw/zinc/32/25/61/623322561.db2.gz QLFRSGRMTOUUHD-ZDUSSCGKSA-N 0 3 276.336 2.227 20 30 CEEDHN N#CC(C(=O)CCc1ccoc1)C(=O)NC1CCCCC1 ZINC000175942822 623356999 /nfs/dbraw/zinc/35/69/99/623356999.db2.gz BSSHJHDKZOTILM-AWEZNQCLSA-N 0 3 288.347 2.370 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001021803484 623508444 /nfs/dbraw/zinc/50/84/44/623508444.db2.gz JPRLSLVTQRELAN-PHIMTYICSA-N 0 3 268.744 2.191 20 30 CEEDHN N#CC(C(=O)CCF)C(=O)Nc1ccc(Cl)cc1 ZINC000892493441 625661623 /nfs/dbraw/zinc/66/16/23/625661623.db2.gz JTAMKDHSJPVTHU-SNVBAGLBSA-N 0 3 268.675 2.347 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2csnc2C)C1 ZINC001021986420 623600357 /nfs/dbraw/zinc/60/03/57/623600357.db2.gz LUFWTCGTJDQALO-AOOOYVTPSA-N 0 3 285.800 2.054 20 30 CEEDHN C#CCC1(NCC(=O)N(C)c2ccccc2)CCC1 ZINC000933304713 623632364 /nfs/dbraw/zinc/63/23/64/623632364.db2.gz QEPBZJJGBAUOEC-UHFFFAOYSA-N 0 3 256.349 2.185 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C)sn2)C1 ZINC001022013207 623634973 /nfs/dbraw/zinc/63/49/73/623634973.db2.gz FCEXKKZPUQUCLA-AOOOYVTPSA-N 0 3 285.800 2.054 20 30 CEEDHN C=C(Br)CN[C@@H]1C[C@H](OC)C12CCC2 ZINC000308341503 623666860 /nfs/dbraw/zinc/66/68/60/623666860.db2.gz BWICETTXJXMCHA-ZJUUUORDSA-N 0 3 260.175 2.442 20 30 CEEDHN C=CCOCCN(C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933467283 623762848 /nfs/dbraw/zinc/76/28/48/623762848.db2.gz LFXACGTXGXEKLP-ZDUSSCGKSA-N 0 3 284.400 2.130 20 30 CEEDHN C#C[C@@H]1CCCCN1C[C@@H](O)COCc1cccs1 ZINC000934509719 624548490 /nfs/dbraw/zinc/54/84/90/624548490.db2.gz QEMFFQDGFLWGDO-ZIAGYGMSSA-N 0 3 279.405 2.113 20 30 CEEDHN C#C[C@@H]1CCCCN1C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000934518303 624558218 /nfs/dbraw/zinc/55/82/18/624558218.db2.gz GSZCMRLUNVUJOV-SQNIBIBYSA-N 0 3 287.403 2.349 20 30 CEEDHN C#C[C@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000820411630 634400566 /nfs/dbraw/zinc/40/05/66/634400566.db2.gz GYQCKDGAAFLNFN-FZMZJTMJSA-N 0 3 293.798 2.264 20 30 CEEDHN C#C[C@@H](C)NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000820430082 634408384 /nfs/dbraw/zinc/40/83/84/634408384.db2.gz ZOTYFLWJIIHRPC-WBVHZDCISA-N 0 3 299.418 2.314 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001023107396 624929226 /nfs/dbraw/zinc/92/92/26/624929226.db2.gz ONUXNHMZQPZCFC-PHIMTYICSA-N 0 3 299.827 2.363 20 30 CEEDHN C=CCN1CCC[C@H](CNC(=O)c2scnc2CC)C1 ZINC001023404837 625006166 /nfs/dbraw/zinc/00/61/66/625006166.db2.gz XEHKQFOBYVWJGJ-GFCCVEGCSA-N 0 3 293.436 2.333 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cccc(CC)n2)C1 ZINC001023419326 625009940 /nfs/dbraw/zinc/00/99/40/625009940.db2.gz TXARAFQVGVWYEO-HNNXBMFYSA-N 0 3 299.418 2.109 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(C)cc2F)C1 ZINC001023610584 625067628 /nfs/dbraw/zinc/06/76/28/625067628.db2.gz GMQQVCIDTALPDP-AWEZNQCLSA-N 0 3 288.366 2.209 20 30 CEEDHN C=CCN1CCC[C@@H](CNC(=O)c2nc(CC)oc2C)C1 ZINC001023640385 625091559 /nfs/dbraw/zinc/09/15/59/625091559.db2.gz FNCRQONBSLCKRA-ZDUSSCGKSA-N 0 3 291.395 2.173 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H]2CC23CCCC3)C1 ZINC001023687902 625121719 /nfs/dbraw/zinc/12/17/19/625121719.db2.gz PGLKWPHOSIWTBM-HZPDHXFCSA-N 0 3 288.435 2.418 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc(Cl)c2)C1 ZINC001023716967 625133717 /nfs/dbraw/zinc/13/37/17/625133717.db2.gz YRBRGUOFVCONEH-CYBMUJFWSA-N 0 3 290.794 2.415 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001023722187 625135970 /nfs/dbraw/zinc/13/59/70/625135970.db2.gz UVFAVMSXFYYZHT-INIZCTEOSA-N 0 3 284.403 2.378 20 30 CEEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1conc1CC ZINC001024638901 625731544 /nfs/dbraw/zinc/73/15/44/625731544.db2.gz AXVWXEFALWIBPL-CYBMUJFWSA-N 0 3 291.395 2.397 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC001024682030 625753614 /nfs/dbraw/zinc/75/36/14/625753614.db2.gz VQPROHPNNJSMRH-ZIAGYGMSSA-N 0 3 262.397 2.333 20 30 CEEDHN CC(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC001024833743 625852835 /nfs/dbraw/zinc/85/28/35/625852835.db2.gz IURONNDKJGPXBN-OAHLLOKOSA-N 0 3 289.354 2.188 20 30 CEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CCC1 ZINC001025188206 627374149 /nfs/dbraw/zinc/37/41/49/627374149.db2.gz HUPRLDYKTFKWII-CVEARBPZSA-N 0 3 274.408 2.265 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001007538398 627389041 /nfs/dbraw/zinc/38/90/41/627389041.db2.gz ISYFZIFGMMZEJV-AWEZNQCLSA-N 0 3 298.390 2.333 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2F)C1 ZINC001025310585 627625501 /nfs/dbraw/zinc/62/55/01/627625501.db2.gz JDLNFYUJJVAVRP-UONOGXRCSA-N 0 3 288.366 2.289 20 30 CEEDHN Cc1cc(F)c(C#N)c(N2CC[C@H](N3CC=CC3)C2)c1 ZINC000892680146 627630774 /nfs/dbraw/zinc/63/07/74/627630774.db2.gz VIRIJAMNHUOPRC-ZDUSSCGKSA-N 0 3 271.339 2.456 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C)o2)C1 ZINC001025335647 627639161 /nfs/dbraw/zinc/63/91/61/627639161.db2.gz RVEMZUHDYGVCRC-LSDHHAIUSA-N 0 3 288.391 2.442 20 30 CEEDHN COc1cc([C@@H](C)N[C@H]2Cc3ccc(C#N)cc3C2)on1 ZINC000926813506 627640612 /nfs/dbraw/zinc/64/06/12/627640612.db2.gz UVRMSEJDNKDYCH-YGRLFVJLSA-N 0 3 283.331 2.373 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ncc(C)cc2C)C1 ZINC001025490290 627724176 /nfs/dbraw/zinc/72/41/76/627724176.db2.gz 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/nfs/dbraw/zinc/00/33/95/628003395.db2.gz MTFYNNQTUAEEBB-ZHMBSYLPSA-N 0 3 262.397 2.045 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001026127870 628044013 /nfs/dbraw/zinc/04/40/13/628044013.db2.gz JDRXYUPSDZKUBF-RFBLXINOSA-N 0 3 274.408 2.045 20 30 CEEDHN Fc1cccnc1N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC000893158457 628045834 /nfs/dbraw/zinc/04/58/34/628045834.db2.gz FQQNAACGCPUSEP-INIZCTEOSA-N 0 3 295.361 2.441 20 30 CEEDHN C=CC[C@H]1CCN(Cc2cc(=O)n3cc(C)sc3n2)C1 ZINC000931164679 628380271 /nfs/dbraw/zinc/38/02/71/628380271.db2.gz XTYTXXXCMXVWMO-LBPRGKRZSA-N 0 3 289.404 2.462 20 30 CEEDHN CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000821195974 634652173 /nfs/dbraw/zinc/65/21/73/634652173.db2.gz IATLKAMEJDBKAC-IHRRRGAJSA-N 0 3 263.385 2.058 20 30 CEEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2nc(C)oc2C)C1 ZINC001008963157 628580229 /nfs/dbraw/zinc/58/02/29/628580229.db2.gz BQWNFJPLHCVDCP-CQSZACIVSA-N 0 3 291.395 2.452 20 30 CEEDHN C#CCOc1ccccc1CN(CCCCO)C1CC1 ZINC000093383241 628651168 /nfs/dbraw/zinc/65/11/68/628651168.db2.gz NCHAMKNLOIJGGV-UHFFFAOYSA-N 0 3 273.376 2.436 20 30 CEEDHN C=CC[C@H](CO)NCc1cnc(CC(F)(F)F)s1 ZINC000893568782 628748339 /nfs/dbraw/zinc/74/83/39/628748339.db2.gz WRXFBTVWQOATIG-MRVPVSSYSA-N 0 3 280.315 2.275 20 30 CEEDHN CCO[C@@H]1C[C@H](NCc2c(C)cc(C#N)cc2C)[C@@H]1OC ZINC000893594298 628769062 /nfs/dbraw/zinc/76/90/62/628769062.db2.gz QYJUJXQBYTWDEK-BBWFWOEESA-N 0 3 288.391 2.457 20 30 CEEDHN CO[C@H]1COCC[C@H]1N(C)Cc1cc(Cl)cc(C#N)c1 ZINC000931698853 628794895 /nfs/dbraw/zinc/79/48/95/628794895.db2.gz OBUROSOXHUPCKE-CABCVRRESA-N 0 3 294.782 2.447 20 30 CEEDHN N#C[C@@H]1CCCN(CCCCN2CCC[C@H](C#N)C2)C1 ZINC000932154750 628977534 /nfs/dbraw/zinc/97/75/34/628977534.db2.gz ZTNFVUSWKULBTK-IYBDPMFKSA-N 0 3 274.412 2.238 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nccn1C1CC1 ZINC000894217415 629232651 /nfs/dbraw/zinc/23/26/51/629232651.db2.gz XSHCBWDCTMAIPX-DOMZBBRYSA-N 0 3 261.369 2.289 20 30 CEEDHN Cc1csc([C@H]2CCN(CCO[C@H](C)C#N)C2)n1 ZINC000880010572 629447730 /nfs/dbraw/zinc/44/77/30/629447730.db2.gz BACJDNIAKKPTPW-NEPJUHHUSA-N 0 3 265.382 2.170 20 30 CEEDHN C=CCCN(C)Cc1cc(C(=O)OC)c(CC)[nH]1 ZINC000894532400 629516009 /nfs/dbraw/zinc/51/60/09/629516009.db2.gz JRNFZKQAXMLGLJ-UHFFFAOYSA-N 0 3 250.342 2.372 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2CCN(C)[C@H]2C)CCCC1 ZINC000928430391 629585722 /nfs/dbraw/zinc/58/57/22/629585722.db2.gz GSSQMZWZBDLLJH-STQMWFEESA-N 0 3 250.386 2.332 20 30 CEEDHN CN(C)Cc1ccc(NC(=O)C#CC2CC2)c(F)c1 ZINC000840506499 629604334 /nfs/dbraw/zinc/60/43/34/629604334.db2.gz GNHKAYYNJDZNAM-UHFFFAOYSA-N 0 3 260.312 2.239 20 30 CEEDHN CC[C@@H](CC#N)NC1CCN(CC(F)(F)F)CC1 ZINC000054183825 629876842 /nfs/dbraw/zinc/87/68/42/629876842.db2.gz IYEKYZWSMBSGSY-JTQLQIEISA-N 0 3 263.307 2.295 20 30 CEEDHN Cc1nc(N2CCN(C)[C@H](C(C)(C)C)C2)ccc1C#N ZINC000895101421 629897632 /nfs/dbraw/zinc/89/76/32/629897632.db2.gz KQGOJNLBXMFXMP-AWEZNQCLSA-N 0 3 272.396 2.428 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000796632085 629949267 /nfs/dbraw/zinc/94/92/67/629949267.db2.gz VYDZBWRIJRCLPW-HUUCEWRRSA-N 0 3 297.358 2.307 20 30 CEEDHN N#CC[C@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000796638161 629951236 /nfs/dbraw/zinc/95/12/36/629951236.db2.gz YWTYXBBFRBSFSX-HIFRSBDPSA-N 0 3 295.342 2.061 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000895160441 629977868 /nfs/dbraw/zinc/97/78/68/629977868.db2.gz ILYLCCWSMSBKSU-OLZOCXBDSA-N 0 3 265.401 2.077 20 30 CEEDHN COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCCN([O-])C2=O)cc1 ZINC000895160673 629978073 /nfs/dbraw/zinc/97/80/73/629978073.db2.gz OGPYDGIKGHRCRW-TYNCELHUSA-N 0 3 292.379 2.157 20 30 CEEDHN C[C@@H](CCc1ccsc1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895160998 629979410 /nfs/dbraw/zinc/97/94/10/629979410.db2.gz QGORYEHBQOKVHG-CMPLNLGQSA-N 0 3 268.382 2.039 20 30 CEEDHN CC(C)[C@H](C[NH2+][C@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000895162147 629981421 /nfs/dbraw/zinc/98/14/21/629981421.db2.gz XCHXRYALOBYVEY-GJZGRUSLSA-N 0 3 276.380 2.396 20 30 CEEDHN C=CC[C@H]1CCCN(Cc2cnc3n2CCOC3)C1 ZINC000895337308 630121061 /nfs/dbraw/zinc/12/10/61/630121061.db2.gz IHBIIZJJWXBLKM-ZDUSSCGKSA-N 0 3 261.369 2.201 20 30 CEEDHN C#CC1(O)CCN(Cc2ccc(OCCC)cc2)CC1 ZINC000895379716 630151171 /nfs/dbraw/zinc/15/11/71/630151171.db2.gz OHSLBPLHQGFBMA-UHFFFAOYSA-N 0 3 273.376 2.436 20 30 CEEDHN C#CC[C@@H]1CCN(Cc2cc(C(=O)OC)c(CC)[nH]2)C1 ZINC000895391356 630160163 /nfs/dbraw/zinc/16/01/63/630160163.db2.gz YBSUODVMGDQHEN-GFCCVEGCSA-N 0 3 274.364 2.209 20 30 CEEDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1csc(C#N)c1 ZINC000895473931 630210799 /nfs/dbraw/zinc/21/07/99/630210799.db2.gz RCQKFHYJOYTBFU-NEPJUHHUSA-N 0 3 264.350 2.051 20 30 CEEDHN C=CC(C)(C)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000895627297 630278904 /nfs/dbraw/zinc/27/89/04/630278904.db2.gz DELLFTONVZCRQC-LLVKDONJSA-N 0 3 253.390 2.123 20 30 CEEDHN C#CCC1(O)CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000895675612 630296517 /nfs/dbraw/zinc/29/65/17/630296517.db2.gz RWTWNXUPRJMIBU-OAHLLOKOSA-N 0 3 298.386 2.328 20 30 CEEDHN C[C@@H](NCCc1cn2c(n1)CCCC2)c1cc(C#N)ccn1 ZINC000902741570 634805630 /nfs/dbraw/zinc/80/56/30/634805630.db2.gz DNPUKSMXOZBRCI-CYBMUJFWSA-N 0 3 295.390 2.379 20 30 CEEDHN C#CCC1(O)CCN(Cc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000896026025 630440649 /nfs/dbraw/zinc/44/06/49/630440649.db2.gz WYLCSELZRAKXCJ-AWEZNQCLSA-N 0 3 285.387 2.360 20 30 CEEDHN CC[C@@H](CNCc1cccc(C#N)n1)C(=O)OC(C)(C)C ZINC000896627508 630616087 /nfs/dbraw/zinc/61/60/87/630616087.db2.gz FFCBPPHFKANHLD-LBPRGKRZSA-N 0 3 289.379 2.411 20 30 CEEDHN C#Cc1cncc(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000798273266 630849567 /nfs/dbraw/zinc/84/95/67/630849567.db2.gz WDAFGQVBGNZPLW-KRWDZBQOSA-N 0 3 293.370 2.096 20 30 CEEDHN CN1CCC2(CCN2c2nc(Cl)c(C#N)s2)CC1 ZINC000897133747 630951569 /nfs/dbraw/zinc/95/15/69/630951569.db2.gz PJGLRMXBOWRLLU-UHFFFAOYSA-N 0 3 282.800 2.343 20 30 CEEDHN COc1ccccc1CON=C1CCN2CCC[C@@H]12 ZINC000799118897 630982182 /nfs/dbraw/zinc/98/21/82/630982182.db2.gz ZXFDCKQXWPHHOH-AWEZNQCLSA-N 0 3 260.337 2.436 20 30 CEEDHN Cc1ccc(C(=O)N(C)[C@H]2CN3CCC2CC3)cc1C#N ZINC000799628178 631053074 /nfs/dbraw/zinc/05/30/74/631053074.db2.gz YATJOCSQYNFFSO-INIZCTEOSA-N 0 3 283.375 2.033 20 30 CEEDHN CN1CCc2cc(C=NN[C@@H]3CCSC3)ccc21 ZINC000808001387 631114024 /nfs/dbraw/zinc/11/40/24/631114024.db2.gz KFEUYFYUSKKUFS-CYBMUJFWSA-N 0 3 261.394 2.108 20 30 CEEDHN COc1ccc([C@@H](NC(C)C)C(=O)NCCCC#N)cc1 ZINC000897368003 631208086 /nfs/dbraw/zinc/20/80/86/631208086.db2.gz LOJRXMAYUYVMHR-OAHLLOKOSA-N 0 3 289.379 2.154 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)cc(C)n2)CC1 ZINC000801091669 631221811 /nfs/dbraw/zinc/22/18/11/631221811.db2.gz CQJPRCLXJOMGJS-UHFFFAOYSA-N 0 3 287.407 2.469 20 30 CEEDHN N#CCCCCOC(=O)C1CCN(C2CC2)CC1 ZINC000801874633 631343915 /nfs/dbraw/zinc/34/39/15/631343915.db2.gz HVPMTERMHXQMPX-UHFFFAOYSA-N 0 3 250.342 2.098 20 30 CEEDHN CC(C)n1cc([C@@H](C)NCCO[C@@H](C)C#N)cn1 ZINC000801940610 631365717 /nfs/dbraw/zinc/36/57/17/631365717.db2.gz 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/nfs/dbraw/zinc/81/13/61/631811361.db2.gz DVCOCMVSEUALFV-CQSZACIVSA-N 0 3 263.337 2.017 20 30 CEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cnn(CCF)c1 ZINC000897731681 631906748 /nfs/dbraw/zinc/90/67/48/631906748.db2.gz DPWOFLVWVBTULK-ZDUSSCGKSA-N 0 3 294.374 2.041 20 30 CEEDHN C#Cc1ccc(CNC(C)(C)c2cnn(C)c2)cc1 ZINC000809620071 632112854 /nfs/dbraw/zinc/11/28/54/632112854.db2.gz CPQNXJZNSAXDBE-UHFFFAOYSA-N 0 3 253.349 2.426 20 30 CEEDHN C#C[C@@H](C)NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000809683763 632127305 /nfs/dbraw/zinc/12/73/05/632127305.db2.gz NYWQXYIOSPOSKC-CJNGLKHVSA-N 0 3 259.349 2.356 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC3(CC3)C2)CC1 ZINC000888702032 650053828 /nfs/dbraw/zinc/05/38/28/650053828.db2.gz HNKGOZUWKXXKFN-OAHLLOKOSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC000989523054 632198653 /nfs/dbraw/zinc/19/86/53/632198653.db2.gz HKHPPGJDESEQDR-WKILWMFISA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(Cl)s2)C1 ZINC000989532980 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C=CCN1CC[C@@]2(NC(=O)C(C)(C)F)CCC[C@H]12 ZINC000989901392 632276021 /nfs/dbraw/zinc/27/60/21/632276021.db2.gz YPYNQIVBTLAFTB-FZMZJTMJSA-N 0 3 254.349 2.034 20 30 CEEDHN C#CC1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000826651585 635802834 /nfs/dbraw/zinc/80/28/34/635802834.db2.gz ACDRVBBMOZPUGO-OAHLLOKOSA-N 0 3 291.439 2.162 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc[nH]c3C)CCC[C@@H]12 ZINC000990158820 632321821 /nfs/dbraw/zinc/32/18/21/632321821.db2.gz ACNPQIOKLBWKDV-ZBFHGGJFSA-N 0 3 273.380 2.236 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3cc[nH]c3C)CCC[C@@H]12 ZINC000990178153 632324833 /nfs/dbraw/zinc/32/48/33/632324833.db2.gz VUHRXUQACSQUTF-NVXWUHKLSA-N 0 3 285.391 2.073 20 30 CEEDHN C=C1CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000898695736 632583129 /nfs/dbraw/zinc/58/31/29/632583129.db2.gz IFTBEZNQDCGGGU-HNNXBMFYSA-N 0 3 256.349 2.049 20 30 CEEDHN CCC[C@H](C#N)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000813431713 632690641 /nfs/dbraw/zinc/69/06/41/632690641.db2.gz MCCFEZONOHQZFX-MCIONIFRSA-N 0 3 286.331 2.099 20 30 CEEDHN CC1/C(=C/c2cccc3c2OCC3)C(=O)c2ncnn21 ZINC000899382340 632815346 /nfs/dbraw/zinc/81/53/46/632815346.db2.gz ZKRLTLPVANTRFE-JBBGTMGVSA-N 0 3 267.288 2.054 20 30 CEEDHN C=CCC(F)(F)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000814802943 632900071 /nfs/dbraw/zinc/90/00/71/632900071.db2.gz CMQYPTQAKBXONS-CQSZACIVSA-N 0 3 296.361 2.487 20 30 CEEDHN CCC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccc(N)c1 ZINC000814885535 632913962 /nfs/dbraw/zinc/91/39/62/632913962.db2.gz COZZOZDNRQYHQL-GJZGRUSLSA-N 0 3 285.395 2.243 20 30 CEEDHN C#C[C@@H](NCc1ccc(N(C)C)c(C)c1)[C@H]1CCCO1 ZINC000815094155 632958006 /nfs/dbraw/zinc/95/80/06/632958006.db2.gz ZDJCHCXTXFEGDD-NVXWUHKLSA-N 0 3 272.392 2.331 20 30 CEEDHN C[C@@H]1CN(CCc2cccs2)C[C@H](C)N1CC#N ZINC000878772995 651182924 /nfs/dbraw/zinc/18/29/24/651182924.db2.gz FGKIZZXMKPCVSG-BETUJISGSA-N 0 3 263.410 2.209 20 30 CEEDHN N#CC(C(=O)CC1(C#N)CC1)C(=O)Nc1ccccc1 ZINC000815908194 633078021 /nfs/dbraw/zinc/07/80/21/633078021.db2.gz VMSKWDHZDATSFD-GFCCVEGCSA-N 0 3 267.288 2.028 20 30 CEEDHN C[C@@H](CC#N)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000902849958 634860268 /nfs/dbraw/zinc/86/02/68/634860268.db2.gz DKJOQUQZXMEOEI-FRRDWIJNSA-N 0 3 281.400 2.381 20 30 CEEDHN C#CCC1(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)CCCCC1 ZINC000816953754 633568912 /nfs/dbraw/zinc/56/89/12/633568912.db2.gz NELUXBUWLVABSX-GJZGRUSLSA-N 0 3 274.408 2.123 20 30 CEEDHN C[C@@H](O)CN(C)N=C1CCCCc2ccc(N)cc21 ZINC000817330918 633629955 /nfs/dbraw/zinc/62/99/55/633629955.db2.gz UJPBNDGUASPHMM-LLVKDONJSA-N 0 3 261.369 2.012 20 30 CEEDHN COc1ccc(CN[C@@H](C)c2cnccc2N)cc1C#N ZINC000817916350 633775014 /nfs/dbraw/zinc/77/50/14/633775014.db2.gz WXHLWIMYYWIWTF-NSHDSACASA-N 0 3 282.347 2.225 20 30 CEEDHN C[C@@H](N[C@H]1CNCCC1(F)F)c1ccc(OCC#N)cc1 ZINC000817981281 633824799 /nfs/dbraw/zinc/82/47/99/633824799.db2.gz QUJZPZNLFIVMHW-RISCZKNCSA-N 0 3 295.333 2.237 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000818224175 633888380 /nfs/dbraw/zinc/88/83/80/633888380.db2.gz FZXDTAJYPQBYON-BBRMVZONSA-N 0 3 277.364 2.472 20 30 CEEDHN C#CCSCC(=O)Nc1cc(CN(C)C)ccc1C ZINC000900954282 633889137 /nfs/dbraw/zinc/88/91/37/633889137.db2.gz IMRZTOBCPKKSNC-UHFFFAOYSA-N 0 3 276.405 2.362 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](C)c1ccc(CC)cc1 ZINC000818611958 633959811 /nfs/dbraw/zinc/95/98/11/633959811.db2.gz JEPGNSWADGDWQY-OAHLLOKOSA-N 0 3 286.419 2.424 20 30 CEEDHN CSc1cc(CNC[C@H](O)c2ccc(C#N)cc2)ccn1 ZINC000819205085 634103914 /nfs/dbraw/zinc/10/39/14/634103914.db2.gz DRUASKMZWUVPAM-HNNXBMFYSA-N 0 3 299.399 2.498 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)NC[C@H](O)C(F)(F)F ZINC000819305474 634133471 /nfs/dbraw/zinc/13/34/71/634133471.db2.gz PXDDQESMMYZUBP-STQMWFEESA-N 0 3 271.282 2.134 20 30 CEEDHN N#Cc1ccc([C@@H](NCCC2CC=CC2)C(N)=O)cc1 ZINC000901585215 634202956 /nfs/dbraw/zinc/20/29/56/634202956.db2.gz JJLPDOCSZOZJFL-OAHLLOKOSA-N 0 3 269.348 2.031 20 30 CEEDHN C#Cc1ccc(CN2CCN(C(C)(C)COC)CC2)cc1 ZINC000822498534 634931802 /nfs/dbraw/zinc/93/18/02/634931802.db2.gz ZKDHEWDJCABBMD-UHFFFAOYSA-N 0 3 286.419 2.211 20 30 CEEDHN CCN1CCCN(C(=O)c2cc(C#N)ccc2C)[C@H](C)C1 ZINC000822569680 634944756 /nfs/dbraw/zinc/94/47/56/634944756.db2.gz WIQJZZJZEQHWFV-CQSZACIVSA-N 0 3 285.391 2.423 20 30 CEEDHN C[C@H](N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1cc(C#N)ccn1 ZINC000903069908 634966231 /nfs/dbraw/zinc/96/62/31/634966231.db2.gz LTGIOGOBMZHVJF-VSBZFQJLSA-N 0 3 259.353 2.416 20 30 CEEDHN C[C@@H](NC[C@H](O)Cc1ccccc1F)c1cc(C#N)ccn1 ZINC000903094664 634975956 /nfs/dbraw/zinc/97/59/56/634975956.db2.gz PCPQRAZRCXXCPG-IUODEOHRSA-N 0 3 299.349 2.347 20 30 CEEDHN Cc1ccc(C#N)cc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000823133950 635076698 /nfs/dbraw/zinc/07/66/98/635076698.db2.gz SHKYKISNMVEQJM-AWEZNQCLSA-N 0 3 271.364 2.033 20 30 CEEDHN CC(C)N1CCC[C@H]1C(=O)N(C)c1ccc(C#N)cc1 ZINC000903636383 635197990 /nfs/dbraw/zinc/19/79/90/635197990.db2.gz CGCDPZARGBUFIQ-HNNXBMFYSA-N 0 3 271.364 2.394 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)CCO[C@@H](C)C#N ZINC000823618168 635233927 /nfs/dbraw/zinc/23/39/27/635233927.db2.gz ONDFSBKSPJYCOR-QWHCGFSZSA-N 0 3 257.337 2.480 20 30 CEEDHN CCC(CC)CN1CCC(C#N)(C(=O)OC)CC1 ZINC000824867697 635516237 /nfs/dbraw/zinc/51/62/37/635516237.db2.gz VBXVJFVKUOKUIQ-UHFFFAOYSA-N 0 3 252.358 2.201 20 30 CEEDHN COCc1cccc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905080540 635797713 /nfs/dbraw/zinc/79/77/13/635797713.db2.gz MOPWSZVOEBSRGG-JLATVTFTSA-N 0 3 269.304 2.265 20 30 CEEDHN COc1cc(/C=C2\C(=O)c3ncnn3C2C)ccc1C ZINC000905085036 635799459 /nfs/dbraw/zinc/79/94/59/635799459.db2.gz LNINDVZYQBPRCY-OGGBREFQSA-N 0 3 269.304 2.436 20 30 CEEDHN C=CCN1CCC(NC(=O)C2CC3(CC3(F)F)C2)CC1 ZINC000826656395 635804071 /nfs/dbraw/zinc/80/40/71/635804071.db2.gz NXJIWWRTLFXKRY-UHFFFAOYSA-N 0 3 284.350 2.188 20 30 CEEDHN C#Cc1cnc(N2CCCN(Cc3ccccc3)CC2)nc1 ZINC000827332743 636297122 /nfs/dbraw/zinc/29/71/22/636297122.db2.gz RJIFJPKLSSJECF-UHFFFAOYSA-N 0 3 292.386 2.170 20 30 CEEDHN C#C[C@@H](NCc1cc(F)cc(OC)c1)C1CCOCC1 ZINC000827554947 636351507 /nfs/dbraw/zinc/35/15/07/636351507.db2.gz LRZCZBMHKVDCPM-MRXNPFEDSA-N 0 3 277.339 2.352 20 30 CEEDHN C#C[C@H](NCc1ccc(F)c(F)c1)C1CCOCC1 ZINC000827570996 636356865 /nfs/dbraw/zinc/35/68/65/636356865.db2.gz VNHRFGOMONOAFT-HNNXBMFYSA-N 0 3 265.303 2.483 20 30 CEEDHN C#C[C@H](NCc1cccc(C#N)c1)C1CCOCC1 ZINC000827571290 636357628 /nfs/dbraw/zinc/35/76/28/636357628.db2.gz YMSQAXQDNFUPKS-INIZCTEOSA-N 0 3 254.333 2.076 20 30 CEEDHN C=CC[C@H](NC[C@H](C)N(C)Cc1ccccc1)C(=O)OC ZINC000905759273 636446211 /nfs/dbraw/zinc/44/62/11/636446211.db2.gz KILKZCZDTNOEEL-HOCLYGCPSA-N 0 3 290.407 2.214 20 30 CEEDHN N#Cc1cc([O-])ccc1-c1cnc([C@@H]2CCC[NH2+]C2)nc1 ZINC000906177572 636637238 /nfs/dbraw/zinc/63/72/38/636637238.db2.gz FZZDVBTZWIPRAB-LLVKDONJSA-N 0 3 280.331 2.188 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)NCCCc2ccccc2)C1 ZINC000829768802 636925873 /nfs/dbraw/zinc/92/58/73/636925873.db2.gz KDEPBHQYAIEEHS-GOSISDBHSA-N 0 3 298.430 2.471 20 30 CEEDHN C#CC[C@H]1CCCN(CC(=O)NCCC(C)(C)C)C1 ZINC000829789333 636930678 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/nfs/dbraw/zinc/37/60/99/650376099.db2.gz GLMONIJIRXPESU-OLZOCXBDSA-N 0 3 288.819 2.264 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1C[C@H](C)Oc2ccccc21 ZINC000876657434 650381158 /nfs/dbraw/zinc/38/11/58/650381158.db2.gz NKXBZKMPHDRVQB-WDEREUQCSA-N 0 3 280.755 2.270 20 30 CEEDHN CCN1CCCN(C(=O)c2cccc(F)c2C#N)[C@@H](C)C1 ZINC000910278735 637972185 /nfs/dbraw/zinc/97/21/85/637972185.db2.gz GWEIPPOQVWHGCS-LBPRGKRZSA-N 0 3 289.354 2.254 20 30 CEEDHN C=CCONC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000834936587 637992998 /nfs/dbraw/zinc/99/29/98/637992998.db2.gz ZXLAOVOQBHTRRY-HNNXBMFYSA-N 0 3 289.379 2.240 20 30 CEEDHN C[C@@H]1CN=C(NN=C2CC[C@H](C)c3ccsc32)N1 ZINC000834970393 638003697 /nfs/dbraw/zinc/00/36/97/638003697.db2.gz MOQPBRIUPICPSE-DTWKUNHWSA-N 0 3 262.382 2.287 20 30 CEEDHN CC(C)N1CC(N=Nc2ncc(F)cc2F)[C@H](C)C1 ZINC000835022394 638028165 /nfs/dbraw/zinc/02/81/65/638028165.db2.gz ITTXRBOUTPMHNP-SECBINFHSA-N 0 3 268.311 2.488 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1C(C)C ZINC000876666053 650388492 /nfs/dbraw/zinc/38/84/92/650388492.db2.gz DFUCFWOPFKMAJG-VXGBXAGGSA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000876668889 650391095 /nfs/dbraw/zinc/39/10/95/650391095.db2.gz UTPPXLWAAPPLIY-AUTRQRHGSA-N 0 3 258.793 2.397 20 30 CEEDHN C#CCCCCCCN1CCN(Cc2cnn(C)c2)CC1 ZINC000876682495 650397308 /nfs/dbraw/zinc/39/73/08/650397308.db2.gz KXCUKBKACARPKQ-UHFFFAOYSA-N 0 3 288.439 2.121 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)Oc1cccc(C)c1 ZINC000876682588 650397382 /nfs/dbraw/zinc/39/73/82/650397382.db2.gz KAIBKMMVPKAEIG-TZMCWYRMSA-N 0 3 296.798 2.348 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000876688277 650399778 /nfs/dbraw/zinc/39/97/78/650399778.db2.gz JGGYSDNQAKRFBJ-NSHDSACASA-N 0 3 284.791 2.338 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCOc2c(F)cccc21 ZINC000876694316 650403390 /nfs/dbraw/zinc/40/33/90/650403390.db2.gz OVVZBAVFXMOBQF-NWDGAFQWSA-N 0 3 298.745 2.235 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000876702773 650406456 /nfs/dbraw/zinc/40/64/56/650406456.db2.gz FCFSBYNEAGXPKK-NWDGAFQWSA-N 0 3 288.819 2.168 20 30 CEEDHN C=CCOc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000835455705 638262912 /nfs/dbraw/zinc/26/29/12/638262912.db2.gz OJQBFDMSCSSHPB-NSHDSACASA-N 0 3 279.292 2.002 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)nc1C ZINC000876729143 650411731 /nfs/dbraw/zinc/41/17/31/650411731.db2.gz FVJBLQPOTJXWFZ-JTQLQIEISA-N 0 3 253.733 2.107 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccn1)C(C)C ZINC000876731296 650412776 /nfs/dbraw/zinc/41/27/76/650412776.db2.gz HKKGUVBHYNJQFW-ZDUSSCGKSA-N 0 3 281.787 2.289 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1cccc(OC)c1 ZINC000911991380 638510967 /nfs/dbraw/zinc/51/09/67/638510967.db2.gz CTXJPFOEAMSLEQ-OAHLLOKOSA-N 0 3 276.380 2.337 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(F)c(C(=O)OC)c1 ZINC000912206330 638606576 /nfs/dbraw/zinc/60/65/76/638606576.db2.gz FQIQBCYOASYPBR-CYBMUJFWSA-N 0 3 294.326 2.234 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(NC(=O)NC)c1 ZINC000912209830 638607241 /nfs/dbraw/zinc/60/72/41/638607241.db2.gz XHDUCGJOYOVCJU-ZDUSSCGKSA-N 0 3 290.367 2.060 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000836489351 638648889 /nfs/dbraw/zinc/64/88/89/638648889.db2.gz YLKYSGLRFPGYER-LSDHHAIUSA-N 0 3 279.428 2.162 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cc(C)on1 ZINC000912467313 638693994 /nfs/dbraw/zinc/69/39/94/638693994.db2.gz LZRRQCZYZISHID-GXTWGEPZSA-N 0 3 277.368 2.330 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(NC(=O)OC)cc1 ZINC000912485072 638707738 /nfs/dbraw/zinc/70/77/38/638707738.db2.gz NMLWJIZDNCLWEP-CYBMUJFWSA-N 0 3 291.351 2.487 20 30 CEEDHN CCOC(=O)[C@H](CCCC(C)C)NC(=O)C(C#N)CC ZINC000924847854 638761520 /nfs/dbraw/zinc/76/15/20/638761520.db2.gz FPZBPBJZNBVCCR-OLZOCXBDSA-N 0 3 282.384 2.410 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000876849923 650458296 /nfs/dbraw/zinc/45/82/96/650458296.db2.gz CATZOLQHOLMQKP-JQWIXIFHSA-N 0 3 267.760 2.071 20 30 CEEDHN CC(C)(C(=O)N1CC[C@](C)(C#N)C1)N1CCCCC1 ZINC000912706815 638996538 /nfs/dbraw/zinc/99/65/38/638996538.db2.gz AOHAHZVXWIEBSR-OAHLLOKOSA-N 0 3 263.385 2.013 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc2c(c1)CCCN2 ZINC000876861378 650463226 /nfs/dbraw/zinc/46/32/26/650463226.db2.gz XGMYLLRGJNTFRU-ZDUSSCGKSA-N 0 3 293.798 2.131 20 30 CEEDHN C=CCO[N-]C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000837045088 639028472 /nfs/dbraw/zinc/02/84/72/639028472.db2.gz WMXDPEDZUYRVDS-UHFFFAOYSA-N 0 3 274.364 2.132 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2ccsc2C1 ZINC000876881459 650471401 /nfs/dbraw/zinc/47/14/01/650471401.db2.gz GPZWGRQWQFJUCQ-SNVBAGLBSA-N 0 3 270.785 2.103 20 30 CEEDHN O=C(C#CC1CC1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000837418492 639222284 /nfs/dbraw/zinc/22/22/84/639222284.db2.gz ISXMNMPXADPBMZ-QGZVFWFLSA-N 0 3 282.387 2.181 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](OCC)c1ccccc1 ZINC000876901290 650478982 /nfs/dbraw/zinc/47/89/82/650478982.db2.gz BTOSNFSTYDVQAE-KGLIPLIRSA-N 0 3 296.798 2.350 20 30 CEEDHN CC(C)(C)C#CC(=O)NCCN1CCCC(C)(C)C1 ZINC000837584446 639293666 /nfs/dbraw/zinc/29/36/66/639293666.db2.gz VDIDOSTUCRXPDS-UHFFFAOYSA-N 0 3 264.413 2.274 20 30 CEEDHN CN(C)C[C@@H](NC(=O)C#CC1CC1)c1ccc(Cl)cc1 ZINC000837607897 639304854 /nfs/dbraw/zinc/30/48/54/639304854.db2.gz YZTWACZKZVEHOF-OAHLLOKOSA-N 0 3 290.794 2.472 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000876930535 650490595 /nfs/dbraw/zinc/49/05/95/650490595.db2.gz ABKLAPUWXVBAPJ-SDDRHHMPSA-N 0 3 256.777 2.009 20 30 CEEDHN CC(C)N1CCCC[C@H]1COC(=O)c1cnccc1C#N ZINC000837732312 639363530 /nfs/dbraw/zinc/36/35/30/639363530.db2.gz KMAHQFCYXYJLFH-AWEZNQCLSA-N 0 3 287.363 2.373 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000876967849 639447723 /nfs/dbraw/zinc/44/77/23/639447723.db2.gz MHRNMEXWLKEQCC-YFKTTZPYSA-N 0 3 256.777 2.009 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1cnn(CC)c1)C(C)C ZINC000876947575 650500662 /nfs/dbraw/zinc/50/06/62/650500662.db2.gz CTMUQKDTBLWOKV-ZDUSSCGKSA-N 0 3 298.818 2.110 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@@]1(C)CC1(F)F ZINC000876968945 650512111 /nfs/dbraw/zinc/51/21/11/650512111.db2.gz VFGUWFYXWOOCNZ-WPRPVWTQSA-N 0 3 266.719 2.008 20 30 CEEDHN C[C@H](O)CN(C)N=C/C=C/c1ccc(N(C)C)cc1 ZINC000841648275 639819012 /nfs/dbraw/zinc/81/90/12/639819012.db2.gz AVWXZCUCBXDPDE-QDXMMYCXSA-N 0 3 261.369 2.064 20 30 CEEDHN C=CC[C@H](NC(=O)N1CCN[C@H](C)[C@H]1C)c1ccncc1 ZINC000841825108 639873404 /nfs/dbraw/zinc/87/34/04/639873404.db2.gz KYAMKXVYZCNKLV-NFAWXSAZSA-N 0 3 288.395 2.091 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000841900997 639902488 /nfs/dbraw/zinc/90/24/88/639902488.db2.gz DJKGJIXEOMSQAY-YQQAZPJKSA-N 0 3 299.418 2.013 20 30 CEEDHN CO[C@@H](CC(C)C)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000842284543 639996667 /nfs/dbraw/zinc/99/66/67/639996667.db2.gz LUZMJFGXKGKCOC-OCCSQVGLSA-N 0 3 275.352 2.331 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CC)CCC[C@H]12 ZINC000992241479 640002345 /nfs/dbraw/zinc/00/23/45/640002345.db2.gz POAOTDKLOUWJBB-PNBKFKSVSA-N 0 3 274.408 2.169 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CC34CCC4)CCC[C@@H]12 ZINC000992290710 640016870 /nfs/dbraw/zinc/01/68/70/640016870.db2.gz MSKOOWBUMGCPCK-JJRVBVJISA-N 0 3 274.408 2.476 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc3cccnc32)C1 ZINC001015123244 640022033 /nfs/dbraw/zinc/02/20/33/640022033.db2.gz LBEGOALAPUVDJJ-HNNXBMFYSA-N 0 3 293.370 2.062 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3nc(C)oc3C)CCC[C@@H]12 ZINC000992348083 640030176 /nfs/dbraw/zinc/03/01/76/640030176.db2.gz DMNYXGJNOURIHW-CJNGLKHVSA-N 0 3 289.379 2.204 20 30 CEEDHN CCN(CCO)N=Cc1ccc(N(CC)CC)cc1 ZINC000842536497 640092590 /nfs/dbraw/zinc/09/25/90/640092590.db2.gz XHGZKGIRNCZADG-UHFFFAOYSA-N 0 3 263.385 2.181 20 30 CEEDHN CCN(CC)c1ccc(C=NN(C)[C@H](C)CO)cc1 ZINC000842544922 640099362 /nfs/dbraw/zinc/09/93/62/640099362.db2.gz LXTVCSDYLOJDHY-CYBMUJFWSA-N 0 3 263.385 2.179 20 30 CEEDHN Cc1cc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)cc(C)c1C#N ZINC000913813766 640115532 /nfs/dbraw/zinc/11/55/32/640115532.db2.gz GHCDKQSJWRVEPH-IAGOWNOFSA-N 0 3 297.402 2.484 20 30 CEEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)NCCCC)C1 ZINC000829773181 640182660 /nfs/dbraw/zinc/18/26/60/640182660.db2.gz BJNXNEFXMGLQTL-ZIAGYGMSSA-N 0 3 250.386 2.027 20 30 CEEDHN C[C@H](NCc1cccc(C#N)n1)[C@@H](O)c1cccc(F)c1 ZINC000877083322 650564623 /nfs/dbraw/zinc/56/46/23/650564623.db2.gz LKOHDROTAMUURE-MEDUHNTESA-N 0 3 285.322 2.304 20 30 CEEDHN C#CC[C@@H]1CCCN(Cc2cc(C(N)=O)cs2)C1 ZINC000843424672 640424122 /nfs/dbraw/zinc/42/41/22/640424122.db2.gz YJYUBIVSFDCRGI-LLVKDONJSA-N 0 3 262.378 2.082 20 30 CEEDHN C[C@@H]1C[C@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877118612 650581106 /nfs/dbraw/zinc/58/11/06/650581106.db2.gz HZVVBZFRMQXVQO-BXKDBHETSA-N 0 3 265.744 2.264 20 30 CEEDHN CN1CCCc2cc(C=NOC[C@H]3CCOC3)ccc21 ZINC000788033583 640492655 /nfs/dbraw/zinc/49/26/55/640492655.db2.gz JMKRZAMMGWROSM-AWEZNQCLSA-N 0 3 274.364 2.456 20 30 CEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)CN1CCCC1 ZINC000915216628 640528433 /nfs/dbraw/zinc/52/84/33/640528433.db2.gz JHABMVKXBBZTTA-UHFFFAOYSA-N 0 3 285.391 2.391 20 30 CEEDHN C#CCCCCC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000843986585 640570909 /nfs/dbraw/zinc/57/09/09/640570909.db2.gz BMYWLTGFRVIAFQ-AWEZNQCLSA-N 0 3 250.386 2.123 20 30 CEEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CCCOCC2)c1 ZINC000877138658 650591703 /nfs/dbraw/zinc/59/17/03/650591703.db2.gz AECXBWOFQJGMMZ-GFCCVEGCSA-N 0 3 265.744 2.265 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2c(C)cncc2C)[C@@H]1C ZINC000993621196 640660696 /nfs/dbraw/zinc/66/06/96/640660696.db2.gz ZHJYIRZASZFTQV-HOTGVXAUSA-N 0 3 299.418 2.304 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cncc(CC)c2)[C@@H]1C ZINC000993618892 640660913 /nfs/dbraw/zinc/66/09/13/640660913.db2.gz VSFVEESTWSPDKM-WMLDXEAASA-N 0 3 299.418 2.250 20 30 CEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2cncc(C)c2)[C@H]1C ZINC000993642108 640662120 /nfs/dbraw/zinc/66/21/20/640662120.db2.gz MFRZUOKMBAHIFI-GDBMZVCRSA-N 0 3 287.407 2.088 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C2(C)CCC2)[C@@H]1C ZINC000993666440 640665511 /nfs/dbraw/zinc/66/55/11/640665511.db2.gz AWYWJZXQTSCUHF-KBPBESRZSA-N 0 3 262.397 2.169 20 30 CEEDHN C=CCN1CCC[C@@H](NC(=O)c2cccc3n[nH]cc32)[C@@H]1C ZINC000993658922 640668370 /nfs/dbraw/zinc/66/83/70/640668370.db2.gz IOSNZHIVIVOXMB-SWLSCSKDSA-N 0 3 298.390 2.332 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C2(C)CC=CC2)[C@@H]1C ZINC000993782063 640678977 /nfs/dbraw/zinc/67/89/77/640678977.db2.gz YMVLDKXDSODPHO-GJZGRUSLSA-N 0 3 274.408 2.335 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2oncc2C)[C@H]1C ZINC000994160379 640696568 /nfs/dbraw/zinc/69/65/68/640696568.db2.gz NKBIXWPJEPQAON-CHWSQXEVSA-N 0 3 277.368 2.142 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(C)nc2C)[C@H]1C ZINC000994503753 640853674 /nfs/dbraw/zinc/85/36/74/640853674.db2.gz WRPKCTYTADPQSR-WBVHZDCISA-N 0 3 299.418 2.304 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@]23C[C@H]2CCC3)CC1 ZINC000917141830 640858050 /nfs/dbraw/zinc/85/80/50/640858050.db2.gz KRHRGHOFDWTOMX-CJNGLKHVSA-N 0 3 277.412 2.126 20 30 CEEDHN C=CCONC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000845243227 640934585 /nfs/dbraw/zinc/93/45/85/640934585.db2.gz LCTFOCISAHPOGX-INIZCTEOSA-N 0 3 289.379 2.068 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C)cc(C)c1O ZINC000877201108 650624322 /nfs/dbraw/zinc/62/43/22/650624322.db2.gz WLWSJYFTSFPLCQ-JTQLQIEISA-N 0 3 268.744 2.417 20 30 CEEDHN C=C[C@@H](C)ONC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000845618351 641021848 /nfs/dbraw/zinc/02/18/48/641021848.db2.gz IBTPJHZGPDHRTP-GFCCVEGCSA-N 0 3 297.424 2.327 20 30 CEEDHN C=C[C@@H](C)ONC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000845641111 641034298 /nfs/dbraw/zinc/03/42/98/641034298.db2.gz XYFHBQILFURRTJ-GFCCVEGCSA-N 0 3 295.383 2.167 20 30 CEEDHN N#CC(C(=O)Cc1cc2ccccc2o1)C(=O)N1CCCC1 ZINC000920107093 641116723 /nfs/dbraw/zinc/11/67/23/641116723.db2.gz NADQTDCNGJBWOQ-CQSZACIVSA-N 0 3 296.326 2.307 20 30 CEEDHN C=CC[C@@H]1CC[C@H](N[C@@H](C)c2nnnn2C2CC2)C1 ZINC000845964060 641139347 /nfs/dbraw/zinc/13/93/47/641139347.db2.gz XDXMFAPUZFOKLQ-TUAOUCFPSA-N 0 3 261.373 2.403 20 30 CEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1cccc(F)c1 ZINC000126428078 650637222 /nfs/dbraw/zinc/63/72/22/650637222.db2.gz VBJMXXYMGAEOKH-LBPRGKRZSA-N 0 3 283.262 2.182 20 30 CEEDHN C#C[C@@H]1CCCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000847020403 641525232 /nfs/dbraw/zinc/52/52/32/641525232.db2.gz BJOMFMUOAJNBGW-GDBMZVCRSA-N 0 3 284.359 2.357 20 30 CEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCCCC#N)c1 ZINC000847691410 641739325 /nfs/dbraw/zinc/73/93/25/641739325.db2.gz RGPJDJCDIDINDH-HNNXBMFYSA-N 0 3 297.358 2.404 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@](C)(C(F)(F)F)C1 ZINC000877350348 650685500 /nfs/dbraw/zinc/68/55/00/650685500.db2.gz LPVGNRPDCLJYMD-SCZZXKLOSA-N 0 3 284.709 2.257 20 30 CEEDHN C#C[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000848276776 641944727 /nfs/dbraw/zinc/94/47/27/641944727.db2.gz INFUVWZZHXFDOP-CJNGLKHVSA-N 0 3 280.387 2.071 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC/C=C/c1ccccc1 ZINC000848431564 641994293 /nfs/dbraw/zinc/99/42/93/641994293.db2.gz YPXWJVAMQWKOMK-VSGCLNPGSA-N 0 3 271.364 2.227 20 30 CEEDHN CCCCC[C@H]1CCCN1CC(=O)NCCC#N ZINC000767904505 642003570 /nfs/dbraw/zinc/00/35/70/642003570.db2.gz AAIVYGVWFPVIEZ-ZDUSSCGKSA-N 0 3 251.374 2.061 20 30 CEEDHN CO[C@@H](C)CC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000195492127 642015157 /nfs/dbraw/zinc/01/51/57/642015157.db2.gz RXLQIPJEOOHPNM-WCQYABFASA-N 0 3 274.320 2.067 20 30 CEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001015933387 642085006 /nfs/dbraw/zinc/08/50/06/642085006.db2.gz FKWKJCFMYFUJSI-ZDUSSCGKSA-N 0 3 289.379 2.322 20 30 CEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccco2)CC1 ZINC000996881658 642150657 /nfs/dbraw/zinc/15/06/57/642150657.db2.gz ZDCRWXYFAXILSJ-CYBMUJFWSA-N 0 3 274.364 2.133 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000997295024 642237752 /nfs/dbraw/zinc/23/77/52/642237752.db2.gz CJAQGAQEHKRJGP-HFTRVMKXSA-N 0 3 288.435 2.417 20 30 CEEDHN C=C(CNCc1c2c(nn1C)CCOC2)c1ccccc1 ZINC000921608003 642255766 /nfs/dbraw/zinc/25/57/66/642255766.db2.gz DGVNPCOXXIOTQV-UHFFFAOYSA-N 0 3 283.375 2.296 20 30 CEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccco2)CC1 ZINC000997465413 642263681 /nfs/dbraw/zinc/26/36/81/642263681.db2.gz ZDCRWXYFAXILSJ-ZDUSSCGKSA-N 0 3 274.364 2.133 20 30 CEEDHN CC#CCN1CCC([C@H](C)NC(=O)C2=CCCC2)CC1 ZINC000997538373 642293760 /nfs/dbraw/zinc/29/37/60/642293760.db2.gz GJFRCXAPTCATPJ-AWEZNQCLSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000997972490 642350596 /nfs/dbraw/zinc/35/05/96/642350596.db2.gz SUSTZAJUNWYIBS-MWDXBVQZSA-N 0 3 288.435 2.369 20 30 CEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000998088174 642364263 /nfs/dbraw/zinc/36/42/63/642364263.db2.gz JWYKVSLJOROIND-XHSDSOJGSA-N 0 3 276.424 2.369 20 30 CEEDHN C=CCN[C@H]1CN(C(=O)C2CCC2)CC[C@@H]1C(F)(F)F ZINC000998217370 642375679 /nfs/dbraw/zinc/37/56/79/642375679.db2.gz LJRKXLLMQPMKLB-RYUDHWBXSA-N 0 3 290.329 2.342 20 30 CEEDHN C=C(Br)CNC1CC(N(C)C(=O)C(C)C)C1 ZINC000998470858 642411122 /nfs/dbraw/zinc/41/11/22/642411122.db2.gz JJYMEZBJUFYYGN-UHFFFAOYSA-N 0 3 289.217 2.130 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2csc(C)n2)C1 ZINC000999294011 642477960 /nfs/dbraw/zinc/47/79/60/642477960.db2.gz OZPUFGHLAKEUNY-UHFFFAOYSA-N 0 3 299.827 2.397 20 30 CEEDHN Cc1cnc(Cl)c(CNC2CCN(CC#N)CC2)c1 ZINC000921706706 642553735 /nfs/dbraw/zinc/55/37/35/642553735.db2.gz GPZIVQNXABEKRV-UHFFFAOYSA-N 0 3 278.787 2.121 20 30 CEEDHN C#CCN(C(=O)N[C@@H]1CCC(C)(C)C1)C1CCN(C)CC1 ZINC000921748716 642576313 /nfs/dbraw/zinc/57/63/13/642576313.db2.gz HGEMQPGGSPCLSZ-CQSZACIVSA-N 0 3 291.439 2.304 20 30 CEEDHN CS(=O)(=O)[C@@H]1CCC[C@H](NCc2csc(C#N)c2)C1 ZINC000921769224 642600654 /nfs/dbraw/zinc/60/06/54/642600654.db2.gz BXYSGAGZUQBWTM-WCQYABFASA-N 0 3 298.433 2.065 20 30 CEEDHN CC#CCN1CCC(CNC(=O)c2ccccc2C)CC1 ZINC001001161403 642691997 /nfs/dbraw/zinc/69/19/97/642691997.db2.gz UGSZUVGUDYBDOY-UHFFFAOYSA-N 0 3 284.403 2.460 20 30 CEEDHN C#CCN1CCC(CNC(=O)[C@@H]2CCCC23CC3)CC1 ZINC001001523381 642727625 /nfs/dbraw/zinc/72/76/25/642727625.db2.gz SRIQVEZMFPBAJO-HNNXBMFYSA-N 0 3 274.408 2.028 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2oc(CC)cc2C)CC1 ZINC001002042784 642752552 /nfs/dbraw/zinc/75/25/52/642752552.db2.gz JCZVXLKGKKXAAF-UHFFFAOYSA-N 0 3 288.391 2.225 20 30 CEEDHN C=C[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000850573209 642754558 /nfs/dbraw/zinc/75/45/58/642754558.db2.gz WWHDCRYBTUYFJA-KKZNHRDASA-N 0 3 251.301 2.216 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2cc3ccccc3[nH]2)CC1 ZINC001002111244 642755019 /nfs/dbraw/zinc/75/50/19/642755019.db2.gz XJEJEJYDQDWNIT-UHFFFAOYSA-N 0 3 295.386 2.243 20 30 CEEDHN C=C(C)C[C@H](NC(C)=O)C(=O)C(C#N)c1nc(C)cs1 ZINC000850736693 642768527 /nfs/dbraw/zinc/76/85/27/642768527.db2.gz LOSIABXZKIPJOE-NEPJUHHUSA-N 0 3 291.376 2.099 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)Cc1ccco1 ZINC000850752331 642774021 /nfs/dbraw/zinc/77/40/21/642774021.db2.gz NODNKWZUKSCKQK-OCCSQVGLSA-N 0 3 290.363 2.473 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCF)c1 ZINC000850757634 642775549 /nfs/dbraw/zinc/77/55/49/642775549.db2.gz NLVLVNDVSUJYKN-GFCCVEGCSA-N 0 3 262.284 2.392 20 30 CEEDHN CO[C@@H](C(=O)C(C#N)c1cc(C)nc(C)n1)C1CCCC1 ZINC000850756196 642776224 /nfs/dbraw/zinc/77/62/24/642776224.db2.gz PPUQOVVGUVWTIS-XJKSGUPXSA-N 0 3 287.363 2.475 20 30 CEEDHN C=CC[C@H](CO)CNCc1cc(C)cnc1Cl ZINC000921968511 642815465 /nfs/dbraw/zinc/81/54/65/642815465.db2.gz XYFMKPYCOMIIOD-NSHDSACASA-N 0 3 254.761 2.318 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2csc(C#N)c2)[C@]12CCCO2 ZINC000921997035 642831168 /nfs/dbraw/zinc/83/11/68/642831168.db2.gz PHDNXQAHNHCOSR-RBSFLKMASA-N 0 3 292.404 2.436 20 30 CEEDHN C#CCN(C(=O)Nc1ccccc1)C1CCN(C)CC1 ZINC000922026230 642847564 /nfs/dbraw/zinc/84/75/64/642847564.db2.gz ROEFAAURWLNFTH-UHFFFAOYSA-N 0 3 271.364 2.248 20 30 CEEDHN N#CCC1(CNCc2cnn(CC3CCC3)c2)CC1 ZINC000922085890 642871364 /nfs/dbraw/zinc/87/13/64/642871364.db2.gz XCPSLFAQALPCRV-UHFFFAOYSA-N 0 3 258.369 2.467 20 30 CEEDHN C#CCN(C(=O)NC[C@H]1CCC[C@H]1C)C1CCN(C)CC1 ZINC000922341434 643039862 /nfs/dbraw/zinc/03/98/62/643039862.db2.gz QAMZVMBWKATOGT-HUUCEWRRSA-N 0 3 291.439 2.162 20 30 CEEDHN CN(Cc1cccc(C#N)n1)C[C@@]1(O)CCc2ccccc21 ZINC000877605153 650810551 /nfs/dbraw/zinc/81/05/51/650810551.db2.gz VUDDGLPMEZLGPJ-SFHVURJKSA-N 0 3 293.370 2.219 20 30 CEEDHN C#CCOCCN1CCC(O)(c2cccc(C)c2C)CC1 ZINC000851783607 643160817 /nfs/dbraw/zinc/16/08/17/643160817.db2.gz GGLFFGYALHFMRL-UHFFFAOYSA-N 0 3 287.403 2.237 20 30 CEEDHN CC1(C)OC[C@H](CNC2(c3cccc(C#N)c3)CC2)O1 ZINC000851902917 643216969 /nfs/dbraw/zinc/21/69/69/643216969.db2.gz PVIZBCKVECIELM-AWEZNQCLSA-N 0 3 272.348 2.288 20 30 CEEDHN C#C[C@H](NCc1cc(C(=O)OC)cs1)C1CCOCC1 ZINC000877637059 650827348 /nfs/dbraw/zinc/82/73/48/650827348.db2.gz DVWVJWLYUDCNIM-AWEZNQCLSA-N 0 3 293.388 2.053 20 30 CEEDHN C#C[C@@](C)(CC)NCC(=O)N(C)C1CCCCC1 ZINC000852097384 643300265 /nfs/dbraw/zinc/30/02/65/643300265.db2.gz PSNMRCAOADNHIH-HNNXBMFYSA-N 0 3 250.386 2.169 20 30 CEEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1C ZINC000852098993 643301484 /nfs/dbraw/zinc/30/14/84/643301484.db2.gz ARUCREKNCCHDBN-YOEHRIQHSA-N 0 3 272.392 2.391 20 30 CEEDHN C#CCOCCN1CCC2(CC1)C(F)(F)C2(F)F ZINC000852210295 643352790 /nfs/dbraw/zinc/35/27/90/643352790.db2.gz BAOQKNUATUANKA-UHFFFAOYSA-N 0 3 265.250 2.003 20 30 CEEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccncc2F)CC1 ZINC001005202225 643394382 /nfs/dbraw/zinc/39/43/82/643394382.db2.gz SNGHKQSSVBDSRM-UHFFFAOYSA-N 0 3 291.370 2.333 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC001005220632 643395511 /nfs/dbraw/zinc/39/55/11/643395511.db2.gz PCYAGMOOMBIXJO-FICVDOATSA-N 0 3 262.397 2.141 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)C2CC2)CC1 ZINC001005233634 643395673 /nfs/dbraw/zinc/39/56/73/643395673.db2.gz XKYPMUACJATXOO-GFCCVEGCSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)Cc2cnccc2C)CC1 ZINC001005520877 643412126 /nfs/dbraw/zinc/41/21/26/643412126.db2.gz IAGQPJLZSUIWGS-UHFFFAOYSA-N 0 3 287.407 2.041 20 30 CEEDHN C=CCCn1cc(CN[C@@H](C2CC2)[C@H]2CCCOC2)nn1 ZINC000922894416 643412180 /nfs/dbraw/zinc/41/21/80/643412180.db2.gz CKJUTEAGSGFHHT-HOCLYGCPSA-N 0 3 290.411 2.149 20 30 CEEDHN C#CCC1(NC(=O)N[C@@H]2CCN(CC)C2)CCCCC1 ZINC000922907434 643447502 /nfs/dbraw/zinc/44/75/02/643447502.db2.gz DRIHYXWDMLJRKI-CQSZACIVSA-N 0 3 277.412 2.106 20 30 CEEDHN C#CCNC(=O)[C@H](C)N(C)CCCC(CC)CC ZINC000852671231 643507433 /nfs/dbraw/zinc/50/74/33/643507433.db2.gz KWBSSUMURGBFLQ-ZDUSSCGKSA-N 0 3 252.402 2.273 20 30 CEEDHN C=CCCCCCNC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000923116741 643565256 /nfs/dbraw/zinc/56/52/56/643565256.db2.gz IFQAKLCAYZKQSC-QWHCGFSZSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2c[nH]c3cccnc23)CC1 ZINC001006291918 643805690 /nfs/dbraw/zinc/80/56/90/643805690.db2.gz IRBWAMLPLYMUAZ-UHFFFAOYSA-N 0 3 298.390 2.285 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001016782574 643807458 /nfs/dbraw/zinc/80/74/58/643807458.db2.gz YTWLOBCWWWVWSL-UONOGXRCSA-N 0 3 274.408 2.027 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@H]2CCC[C@@H]2C1=O ZINC000853598441 643829102 /nfs/dbraw/zinc/82/91/02/643829102.db2.gz REYILRFJOSMGFI-KBXIAJHMSA-N 0 3 260.381 2.385 20 30 CEEDHN N#CC(C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)c1nc2ccccc2[nH]1 ZINC000838783998 644020765 /nfs/dbraw/zinc/02/07/65/644020765.db2.gz MFDLGOCLBYKCES-QCNOEVLYSA-N 0 3 293.326 2.354 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@]1(c2ccccc2)CC1(C)C ZINC000854663893 644122035 /nfs/dbraw/zinc/12/20/35/644122035.db2.gz HBILQHWZZACQMR-LJQANCHMSA-N 0 3 298.430 2.426 20 30 CEEDHN CNC(=O)CN(Cc1ccccc1)C[C@H](C)CCC#N ZINC000877772959 650905103 /nfs/dbraw/zinc/90/51/03/650905103.db2.gz VUSDPVVTMXOPHZ-CQSZACIVSA-N 0 3 273.380 2.174 20 30 CEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@@H](CC#N)C2)C1 ZINC000855256747 644286330 /nfs/dbraw/zinc/28/63/30/644286330.db2.gz RLNAPIINORSAOX-BBRMVZONSA-N 0 3 295.402 2.351 20 30 CEEDHN C#CCN1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856598353 644696752 /nfs/dbraw/zinc/69/67/52/644696752.db2.gz HTXNYRMSNYYPJQ-KRWDZBQOSA-N 0 3 287.407 2.008 20 30 CEEDHN CC(C)CNC(=O)C1CCN(CC2(CC#N)CC2)CC1 ZINC000877916299 650946310 /nfs/dbraw/zinc/94/63/10/650946310.db2.gz DOCJYYSAFIJLAH-UHFFFAOYSA-N 0 3 277.412 2.164 20 30 CEEDHN C#CCNC(=O)CN(C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000839651562 644762782 /nfs/dbraw/zinc/76/27/82/644762782.db2.gz UTXBICSATRDDJP-IRXDYDNUSA-N 0 3 284.403 2.394 20 30 CEEDHN C=CC[C@H](C)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000877928950 650950000 /nfs/dbraw/zinc/95/00/00/650950000.db2.gz OASQLRAWAGOUBE-HNNXBMFYSA-N 0 3 284.407 2.417 20 30 CEEDHN CCN1CCC(=NNc2nc(=O)c3ccccc3[nH]2)[C@H](C)C1 ZINC000757584747 644821120 /nfs/dbraw/zinc/82/11/20/644821120.db2.gz UIUMKGLXBKEKKN-LLVKDONJSA-N 0 3 299.378 2.465 20 30 CEEDHN CN(CCC#N)c1ccc(CNCc2ccc[nH]c2=O)cc1 ZINC000858304624 645111369 /nfs/dbraw/zinc/11/13/69/645111369.db2.gz VRPRXQQVICMDQH-UHFFFAOYSA-N 0 3 296.374 2.427 20 30 CEEDHN C#CC[C@H](CCOC)NCc1csc([N+](=O)[O-])c1 ZINC000858333712 645121194 /nfs/dbraw/zinc/12/11/94/645121194.db2.gz NYVJSLGFFYBRPY-LLVKDONJSA-N 0 3 268.338 2.174 20 30 CEEDHN C#CC[C@@H](COC)NCc1ccc(OC)c(COCC)c1 ZINC000858335690 645122893 /nfs/dbraw/zinc/12/28/93/645122893.db2.gz CVCDQLDYTFOONI-INIZCTEOSA-N 0 3 291.391 2.360 20 30 CEEDHN C#CC[C@@H](COC)NCc1cnc(Cl)c(C)c1 ZINC000858335418 645123495 /nfs/dbraw/zinc/12/34/95/645123495.db2.gz UMDKRTGQQSPZNB-LBPRGKRZSA-N 0 3 252.745 2.171 20 30 CEEDHN Cc1ccc(OCC(=O)C(C#N)c2ccncn2)c(C)c1 ZINC000760344034 645143105 /nfs/dbraw/zinc/14/31/05/645143105.db2.gz FPYAXHGESNRFQE-ZDUSSCGKSA-N 0 3 281.315 2.349 20 30 CEEDHN N#CC(C(=O)c1ccc(-n2cccc2)nc1)c1ccncn1 ZINC000760357104 645146714 /nfs/dbraw/zinc/14/67/14/645146714.db2.gz KEHFEIZSZZRFDT-ZDUSSCGKSA-N 0 3 289.298 2.152 20 30 CEEDHN C#CCCOC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000858921433 645295244 /nfs/dbraw/zinc/29/52/44/645295244.db2.gz FKAWFIWSSSLLGL-UHFFFAOYSA-N 0 3 292.354 2.349 20 30 CEEDHN CC(=O)[C@](C#N)(CCN(C)CC(C)(C)O)c1ccccc1 ZINC000878108412 651001640 /nfs/dbraw/zinc/00/16/40/651001640.db2.gz JDCRVAIREBIMQX-QGZVFWFLSA-N 0 3 288.391 2.130 20 30 CEEDHN C[C@H](C#N)OCCN1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000859611291 645537531 /nfs/dbraw/zinc/53/75/31/645537531.db2.gz CJOOAYDGCJGYCR-BFHYXJOUSA-N 0 3 296.411 2.215 20 30 CEEDHN C#CCCCCCN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000878185352 651028541 /nfs/dbraw/zinc/02/85/41/651028541.db2.gz HSBNYZLOGSTRPO-GJZGRUSLSA-N 0 3 251.370 2.060 20 30 CEEDHN C#CCCCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000764795812 645691045 /nfs/dbraw/zinc/69/10/45/645691045.db2.gz ADSMHNWNBMMTSH-OAHLLOKOSA-N 0 3 277.412 2.106 20 30 CEEDHN C=CCNC(=S)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000764932291 645711463 /nfs/dbraw/zinc/71/14/63/645711463.db2.gz RBSWGJRNRMDYIO-UKRRQHHQSA-N 0 3 289.448 2.157 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000860463888 645797991 /nfs/dbraw/zinc/79/79/91/645797991.db2.gz JLXRTIWNYOLSBN-VJTDZRGJSA-N 0 3 294.395 2.061 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000860464287 645799401 /nfs/dbraw/zinc/79/94/01/645799401.db2.gz SOJXPGDXXGRFDT-JHJVBQTASA-N 0 3 288.347 2.398 20 30 CEEDHN Cc1cccc([C@@H]2C[C@H]2C(=O)C(C#N)C(=O)NC2CC2)c1 ZINC000860471915 645800750 /nfs/dbraw/zinc/80/07/50/645800750.db2.gz XEBGYYUKKZLCQS-RRFJBIMHSA-N 0 3 282.343 2.086 20 30 CEEDHN C=C(C)[C@H](CC(=O)OC[C@@]1(C)C[C@H](OC)CN1C)OCC ZINC000861347859 646137089 /nfs/dbraw/zinc/13/70/89/646137089.db2.gz ASPZKUZBQPJYBP-OFQRWUPVSA-N 0 3 299.411 2.010 20 30 CEEDHN C=CC[C@H]1N(CC(=O)NCCC#N)CCCC1(C)C ZINC000769953026 646339742 /nfs/dbraw/zinc/33/97/42/646339742.db2.gz HRYPIHSFVGTOCB-CYBMUJFWSA-N 0 3 263.385 2.083 20 30 CEEDHN CCOC(=O)C1=CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000862488717 646479730 /nfs/dbraw/zinc/47/97/30/646479730.db2.gz OUHIXSYUEZCVKM-LLVKDONJSA-N 0 3 276.361 2.361 20 30 CEEDHN C#Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000862526907 646483373 /nfs/dbraw/zinc/48/33/73/646483373.db2.gz GRLZRHVITLOPBT-JTDSTZFVSA-N 0 3 273.401 2.153 20 30 CEEDHN C#CC[C@@H](COC)NC[C@H](O)c1ccc(F)cc1Cl ZINC000863589283 646763750 /nfs/dbraw/zinc/76/37/50/646763750.db2.gz LQJINFGZLBGBKL-FZMZJTMJSA-N 0 3 285.746 2.140 20 30 CEEDHN CO[C@H](CN[C@@H]1CCC[C@H](C#N)C1)C(F)(F)F ZINC000774292839 646829368 /nfs/dbraw/zinc/82/93/68/646829368.db2.gz MLUGKLBDYJDDCV-IVZWLZJFSA-N 0 3 250.264 2.236 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1ccc(C)o1 ZINC000775230908 646931547 /nfs/dbraw/zinc/93/15/47/646931547.db2.gz APPXJVGKQLNLHU-ZDUSSCGKSA-N 0 3 276.336 2.146 20 30 CEEDHN COC(=O)/C(C)=C\CN[C@@H](C)c1cccc(C#N)c1 ZINC000775334976 646941367 /nfs/dbraw/zinc/94/13/67/646941367.db2.gz BAZDWOCAWDVVMA-RDQDRAATSA-N 0 3 258.321 2.328 20 30 CEEDHN C#CCNC(=O)CN[C@@H](c1cccc(C)c1)C(C)(C)C ZINC000775524057 646962620 /nfs/dbraw/zinc/96/26/20/646962620.db2.gz PLBHDOYEGXKGGK-INIZCTEOSA-N 0 3 272.392 2.421 20 30 CEEDHN C#C[C@@H](NCc1cc(Cl)cc(OC)c1O)[C@H]1CCCO1 ZINC000776002389 647015629 /nfs/dbraw/zinc/01/56/29/647015629.db2.gz SGKALNDYJLJXJK-CHWSQXEVSA-N 0 3 295.766 2.325 20 30 CEEDHN CN(C)c1ccncc1C=[NH+][N-]c1nc2ccccc2n1C ZINC000776186548 647033465 /nfs/dbraw/zinc/03/34/65/647033465.db2.gz VLCTXCPQNOJNMX-UHFFFAOYSA-N 0 3 294.362 2.480 20 30 CEEDHN COC(=O)c1ccccc1N=NC1C[C@H](C)N(C2CC2)C1 ZINC000776189526 647034331 /nfs/dbraw/zinc/03/43/31/647034331.db2.gz KSASYYCLXPLRRV-NSHDSACASA-N 0 3 287.363 2.498 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)c1sccc1CC#N ZINC000864608416 647061870 /nfs/dbraw/zinc/06/18/70/647061870.db2.gz IQYCSBNAIAPHLJ-LBPRGKRZSA-N 0 3 277.393 2.028 20 30 CEEDHN C#CCCCCC(=O)N(CCN(C)C)Cc1ccco1 ZINC000120265918 647120758 /nfs/dbraw/zinc/12/07/58/647120758.db2.gz GKSCAAJKRUVRNK-UHFFFAOYSA-N 0 3 276.380 2.363 20 30 CEEDHN C=C(C)COCCNCc1cc(C#N)ccc1N(C)C ZINC000865493383 647325105 /nfs/dbraw/zinc/32/51/05/647325105.db2.gz JPDNZOFIBGKOHJ-UHFFFAOYSA-N 0 3 273.380 2.307 20 30 CEEDHN C#CC[C@@H](CCOC)NCc1cnc(Cl)c(F)c1 ZINC000865646427 647404906 /nfs/dbraw/zinc/40/49/06/647404906.db2.gz PXSSVEJSOBVHIN-NSHDSACASA-N 0 3 270.735 2.392 20 30 CEEDHN CC(=NN[C@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000780262499 647408360 /nfs/dbraw/zinc/40/83/60/647408360.db2.gz OIQHKCDOSCQZLG-AWEZNQCLSA-N 0 3 261.369 2.245 20 30 CEEDHN Cc1cc(CNc2cc3n(n2)CCN(C)C3)ccc1C#N ZINC000865845267 647490244 /nfs/dbraw/zinc/49/02/44/647490244.db2.gz OEOBQRZOSFKNKE-UHFFFAOYSA-N 0 3 281.363 2.121 20 30 CEEDHN CCc1nocc1CN[C@H]1Cc2ccc(C#N)cc2C1 ZINC000865848840 647492177 /nfs/dbraw/zinc/49/21/77/647492177.db2.gz WDHIEVUVBVQPEJ-HNNXBMFYSA-N 0 3 267.332 2.366 20 30 CEEDHN Cc1cc(=O)[n-]c(N=NC(C)CCCC[NH+](C)C)n1 ZINC000781115420 647500827 /nfs/dbraw/zinc/50/08/27/647500827.db2.gz NTKOGIHVVIXDDM-UHFFFAOYSA-N 0 3 265.361 2.010 20 30 CEEDHN N#Cc1ccc2c(c1)C[C@H](N[C@H]1CCCn3ccnc31)C2 ZINC000866616713 647843429 /nfs/dbraw/zinc/84/34/29/647843429.db2.gz SZZGWRXEULLBHE-CVEARBPZSA-N 0 3 278.359 2.347 20 30 CEEDHN N#Cc1ccc2c(c1)C[C@H](N[C@@H]1CCCn3ccnc31)C2 ZINC000866616715 647843596 /nfs/dbraw/zinc/84/35/96/647843596.db2.gz SZZGWRXEULLBHE-HZPDHXFCSA-N 0 3 278.359 2.347 20 30 CEEDHN Cn1ccnc1[C@H](N[C@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000866618145 647844148 /nfs/dbraw/zinc/84/41/48/647844148.db2.gz WEJZHOWTEICTEO-DLBZAZTESA-N 0 3 292.386 2.500 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CO[C@@H](C)C3)nc21 ZINC000784518926 647858034 /nfs/dbraw/zinc/85/80/34/647858034.db2.gz WEBYPZRBUNTTIY-SDDRHHMPSA-N 0 3 283.331 2.473 20 30 CEEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3CO[C@@H](C)C3)[nH]c21 ZINC000784518926 647858035 /nfs/dbraw/zinc/85/80/35/647858035.db2.gz WEBYPZRBUNTTIY-SDDRHHMPSA-N 0 3 283.331 2.473 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)Cc1ccccc1F ZINC000121767531 647952711 /nfs/dbraw/zinc/95/27/11/647952711.db2.gz WNMFEDPAWFHAHA-WCQYABFASA-N 0 3 290.338 2.238 20 30 CEEDHN N#CC1(COC(=O)CCN2CCc3ccccc3C2)CC1 ZINC000786824691 648048199 /nfs/dbraw/zinc/04/81/99/648048199.db2.gz CECVAGIJTYLUIX-UHFFFAOYSA-N 0 3 284.359 2.282 20 30 CEEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CC1(C)C ZINC000787066542 648070259 /nfs/dbraw/zinc/07/02/59/648070259.db2.gz NMJJTIBIZCCUQP-ZIAGYGMSSA-N 0 3 284.359 2.400 20 30 CEEDHN CC(C)(C)OC(=O)NCCCNCC(C)(C)C#N ZINC000122209305 648181601 /nfs/dbraw/zinc/18/16/01/648181601.db2.gz SHZILPSRUJZDGK-UHFFFAOYSA-N 0 3 255.362 2.041 20 30 CEEDHN CCN(C)c1ccc(C(C)=NN[C@H]2CCOC2)cc1 ZINC000788441143 648184511 /nfs/dbraw/zinc/18/45/11/648184511.db2.gz IOXUBLJSDQFGFO-AWEZNQCLSA-N 0 3 261.369 2.245 20 30 CEEDHN C1C[C@H](NN=C2CCCC[C@H]2N2CCCCC2)CO1 ZINC000788440387 648184956 /nfs/dbraw/zinc/18/49/56/648184956.db2.gz SPDIWJWFUJJUTD-DZGCQCFKSA-N 0 3 265.401 2.149 20 30 CEEDHN C#CCNC(=O)C1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000789729898 648336730 /nfs/dbraw/zinc/33/67/30/648336730.db2.gz XOANGUDDBHVMDK-UHFFFAOYSA-N 0 3 295.386 2.129 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000791074261 648480573 /nfs/dbraw/zinc/48/05/73/648480573.db2.gz RIYLDZGNVZPLIH-JKSUJKDBSA-N 0 3 287.407 2.390 20 30 CEEDHN CCCCCCCCCN1CCC[C@@H](S(N)(=O)=O)C1 ZINC000792269532 648632447 /nfs/dbraw/zinc/63/24/47/648632447.db2.gz RXMLWBNUKOXYBY-CQSZACIVSA-N 0 3 290.473 2.490 20 30 CEEDHN COC(=O)CCN1CCC(=NN[C@@H](C)C(C)(C)C)CC1 ZINC000793110962 648708710 /nfs/dbraw/zinc/70/87/10/648708710.db2.gz DIOISROXSJPVSZ-LBPRGKRZSA-N 0 3 283.416 2.026 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(c2nnnn2C)CC1 ZINC000872096024 649272265 /nfs/dbraw/zinc/27/22/65/649272265.db2.gz XTIRCDKMOLSOTE-LBPRGKRZSA-N 0 3 296.378 2.022 20 30 CEEDHN Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)cc1C#N ZINC000874831027 649844717 /nfs/dbraw/zinc/84/47/17/649844717.db2.gz XBXDITOZPNZVKF-HZPDHXFCSA-N 0 3 283.375 2.175 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874834511 649846548 /nfs/dbraw/zinc/84/65/48/649846548.db2.gz SHMLWFMUFNBCMF-CVEARBPZSA-N 0 3 283.375 2.175 20 30 CEEDHN C#CCCCCCN1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000878518760 651119205 /nfs/dbraw/zinc/11/92/05/651119205.db2.gz RMUKGPLJRFYWPL-CQSZACIVSA-N 0 3 271.426 2.079 20 30 CEEDHN CO[C@H]1C[C@@H](CN2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000878557555 651130134 /nfs/dbraw/zinc/13/01/34/651130134.db2.gz JLQGLEOIGFOOJJ-GASCZTMLSA-N 0 3 285.391 2.364 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cccn3nccc23)CC1 ZINC000878750751 651179067 /nfs/dbraw/zinc/17/90/67/651179067.db2.gz LZGQSIWDZAOESY-UHFFFAOYSA-N 0 3 298.390 2.105 20 30 CEEDHN C#CCCN[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000879114517 651245467 /nfs/dbraw/zinc/24/54/67/651245467.db2.gz KVGODVZURIKRCD-GFCCVEGCSA-N 0 3 257.255 2.352 20 30 CEEDHN C=C(Br)CN[C@@](C)(CC(=O)OC)C1CC1 ZINC000879439987 651304332 /nfs/dbraw/zinc/30/43/32/651304332.db2.gz AEEHFVBTXMBKFX-NSHDSACASA-N 0 3 276.174 2.216 20 30 CEEDHN N#CCCCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585741 651327792 /nfs/dbraw/zinc/32/77/92/651327792.db2.gz NUMXPIMHMCRQBU-UHFFFAOYSA-N 0 3 268.364 2.374 20 30 CEEDHN Cc1nccnc1[C@H](C)NCCCSCC#N ZINC000880106899 651385368 /nfs/dbraw/zinc/38/53/68/651385368.db2.gz OUUGTGRNPVEZFD-JTQLQIEISA-N 0 3 250.371 2.083 20 30 CEEDHN C=CCCC[C@H](NCCS(=O)(=O)NC)c1ccccc1 ZINC000880390281 651434538 /nfs/dbraw/zinc/43/45/38/651434538.db2.gz QCGJJHAHNPNCLA-HNNXBMFYSA-N 0 3 296.436 2.223 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)CCCc1sccc1C ZINC000129428848 651953288 /nfs/dbraw/zinc/95/32/88/651953288.db2.gz CNTCLMGAVPTSQA-LBPRGKRZSA-N 0 3 290.388 2.390 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccc(OCCC)c(OCC)c1 ZINC000883123188 652369346 /nfs/dbraw/zinc/36/93/46/652369346.db2.gz OZXYUFWRZRCJMC-HNNXBMFYSA-N 0 3 291.391 2.348 20 30 CEEDHN C=CCC[C@H](NCc1snnc1C)[C@@H]1CCCO1 ZINC000883224808 652405749 /nfs/dbraw/zinc/40/57/49/652405749.db2.gz UBZUDBNEBYVTGC-RYUDHWBXSA-N 0 3 267.398 2.450 20 30 CEEDHN Cc1cccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)c1 ZINC000884044293 652654093 /nfs/dbraw/zinc/65/40/93/652654093.db2.gz BFBOVUNXSVADOI-MFOWVQHXSA-N 0 3 269.348 2.073 20 30 CEEDHN C[C@H]1Cc2ccccc2N1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884044163 652654299 /nfs/dbraw/zinc/65/42/99/652654299.db2.gz XCWMEQWAJWXXJE-ZEJWKSJJSA-N 0 3 295.386 2.104 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)[C@@H](N)CC1CC1 ZINC000884088784 652702945 /nfs/dbraw/zinc/70/29/45/652702945.db2.gz VAFVJPDNRMSSDT-HNNXBMFYSA-N 0 3 258.365 2.329 20 30 CEEDHN CC(C)(C)[C@H]1CCCN1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884122754 652716153 /nfs/dbraw/zinc/71/61/53/652716153.db2.gz YMFLSRRHANFSNZ-YXXKGXSTSA-N 0 3 289.423 2.163 20 30 CEEDHN Cc1cccc(C)c1CNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884133390 652721686 /nfs/dbraw/zinc/72/16/86/652721686.db2.gz XDPBRLDNANQPAK-SWKXRBFHSA-N 0 3 297.402 2.059 20 30 CEEDHN Cc1cc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cs1 ZINC000884464521 652864134 /nfs/dbraw/zinc/86/41/34/652864134.db2.gz RTIQGTLMGYEFKT-CVZZAPKMSA-N 0 3 275.377 2.134 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc(CC)c2O)CC1 ZINC000885641106 653033313 /nfs/dbraw/zinc/03/33/13/653033313.db2.gz RVPXAOGBRSPCPW-UHFFFAOYSA-N 0 3 286.375 2.238 20 30 CEEDHN CCCCC1(C(=O)N(C)[C@@H](C)CNCC#CCOC)CC1 ZINC001271092656 805738432 /nfs/dbraw/zinc/73/84/32/805738432.db2.gz KUYZVHRQRSJXTF-HNNXBMFYSA-N 0 3 294.439 2.043 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C2CCC(OC)CC2)[C@H]1CC ZINC001087706147 805776438 /nfs/dbraw/zinc/77/64/38/805776438.db2.gz CKTGYYFUXBDZQI-SSHXOBKSSA-N 0 3 294.439 2.347 20 30 CEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)C2CCCCCC2)C1 ZINC001271133339 805776485 /nfs/dbraw/zinc/77/64/85/805776485.db2.gz YVBLIDLGUAPUHR-QGZVFWFLSA-N 0 3 294.439 2.086 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn(CC)cn2)[C@H]1CC ZINC001087798420 805797469 /nfs/dbraw/zinc/79/74/69/805797469.db2.gz RAEZRFQRMILTFP-DZGCQCFKSA-N 0 3 290.411 2.062 20 30 CEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)c3ccco3)C2)C1 ZINC001040043686 805807522 /nfs/dbraw/zinc/80/75/22/805807522.db2.gz MZZNDSSVQJSIRP-QGZVFWFLSA-N 0 3 286.375 2.231 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cccs3)C[C@@H]2C1 ZINC001087872426 805830287 /nfs/dbraw/zinc/83/02/87/805830287.db2.gz FBQCGWKOIHEQQP-KGLIPLIRSA-N 0 3 288.416 2.165 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)C3CCCC3)C[C@@H]2C1 ZINC001088166412 805953513 /nfs/dbraw/zinc/95/35/13/805953513.db2.gz ZXTVKOVGOZNKGF-UAGQMJEPSA-N 0 3 288.435 2.226 20 30 CEEDHN CC#CCN1CCC([C@H](C)NC(=O)CCC(F)F)CC1 ZINC001279147024 806009451 /nfs/dbraw/zinc/00/94/51/806009451.db2.gz UDVRJLOJOXJTET-LBPRGKRZSA-N 0 3 286.366 2.272 20 30 CEEDHN C=C(Br)CN[C@H]1CCCCCN(C(C)=O)C1 ZINC001088240562 806024457 /nfs/dbraw/zinc/02/44/57/806024457.db2.gz CBWXSJQRFOEJHB-LBPRGKRZSA-N 0 3 289.217 2.276 20 30 CEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1ccco1 ZINC001271789451 806090710 /nfs/dbraw/zinc/09/07/10/806090710.db2.gz FXVAKMDBVVDSSG-UHFFFAOYSA-N 0 3 282.343 2.145 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](CC)CC(C)C)C[C@@H]2C1 ZINC001271887977 806129902 /nfs/dbraw/zinc/12/99/02/806129902.db2.gz WDAZGDMAIUCWEZ-OAGGEKHMSA-N 0 3 276.424 2.082 20 30 CEEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCC(F)(F)F ZINC001272016115 806276806 /nfs/dbraw/zinc/27/68/06/806276806.db2.gz OAYUPNWJWVGLOU-VXGBXAGGSA-N 0 3 288.313 2.027 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)CCCc1ccsc1 ZINC001272040564 806364227 /nfs/dbraw/zinc/36/42/27/806364227.db2.gz BECXYTPYWYAZSA-UHFFFAOYSA-N 0 3 292.448 2.484 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccoc2CC)[C@H]1C ZINC001088547239 806367884 /nfs/dbraw/zinc/36/78/84/806367884.db2.gz LGROJMOZWCWBQY-OCCSQVGLSA-N 0 3 274.364 2.058 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)[C@H](C)C(CC)CC ZINC001272054643 806388859 /nfs/dbraw/zinc/38/88/59/806388859.db2.gz AODPXBDZIKSKNM-CQSZACIVSA-N 0 3 266.429 2.472 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)CC[C@H]1CCCCO1 ZINC001272125698 806557885 /nfs/dbraw/zinc/55/78/85/806557885.db2.gz MWBCDIBHFCSZMZ-OAHLLOKOSA-N 0 3 282.428 2.302 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)[C@H]1C ZINC001088764257 806709141 /nfs/dbraw/zinc/70/91/41/806709141.db2.gz SEHRQQSUOVOIDT-MTSZKFMLSA-N 0 3 288.435 2.415 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C)c(C)cn3)[C@@H]2C1 ZINC001076074698 806804321 /nfs/dbraw/zinc/80/43/21/806804321.db2.gz OFGWRQYIUGOUHF-DOTOQJQBSA-N 0 3 299.418 2.421 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001038502182 806842650 /nfs/dbraw/zinc/84/26/50/806842650.db2.gz ZFEAADHHGHTBEE-AWEZNQCLSA-N 0 3 298.390 2.252 20 30 CEEDHN C#CCCN(C)CCNC(=O)Cc1ccc(C)c(Cl)c1 ZINC001266286555 802375084 /nfs/dbraw/zinc/37/50/84/802375084.db2.gz RDVVVYWEJHRBOG-UHFFFAOYSA-N 0 3 292.810 2.262 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CCOCC1 ZINC001032324201 808453408 /nfs/dbraw/zinc/45/34/08/808453408.db2.gz AEGNTVJGOPMBIN-HOTGVXAUSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCN(C)CCNC(=O)c1cc(C)n(C(CC)CC)n1 ZINC001266290609 802388386 /nfs/dbraw/zinc/38/83/86/802388386.db2.gz FXDQLMBHTMMYHO-UHFFFAOYSA-N 0 3 292.427 2.400 20 30 CEEDHN CC(=O)N1CCC[C@H](CN(CCC#N)C2CCCC2)C1 ZINC001208965278 802443824 /nfs/dbraw/zinc/44/38/24/802443824.db2.gz JGWHKORLQSQOTI-HNNXBMFYSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCN(C)CCNC(=O)C1CCC(C)(C)CC1 ZINC001266365109 802493475 /nfs/dbraw/zinc/49/34/75/802493475.db2.gz NIOQVQKTICXYST-UHFFFAOYSA-N 0 3 252.402 2.437 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)CCOc2ccccc2)C1 ZINC001266358921 802485800 /nfs/dbraw/zinc/48/58/00/802485800.db2.gz JJHAGDUTPVWFSP-HNNXBMFYSA-N 0 3 288.391 2.222 20 30 CEEDHN N#Cc1ccc2[nH]cc(CN3CC[C@H]4OCC[C@H]43)c2c1 ZINC001140110206 802606902 /nfs/dbraw/zinc/60/69/02/802606902.db2.gz FVUJHJUKMUUPFE-HZPDHXFCSA-N 0 3 267.332 2.403 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1ccc(C)s1 ZINC001266494929 802631083 /nfs/dbraw/zinc/63/10/83/802631083.db2.gz CXQNYTAXAHFYQB-CYBMUJFWSA-N 0 3 278.421 2.366 20 30 CEEDHN N#Cc1csc(CNCC[C@H]2CCSC2)n1 ZINC000704789019 809752020 /nfs/dbraw/zinc/75/20/20/809752020.db2.gz ABZSFYKKVRVTJL-VIFPVBQESA-N 0 3 253.396 2.248 20 30 CEEDHN C#CCN(C)CCCNC(=O)OC1CCCCC1 ZINC000704257109 809726330 /nfs/dbraw/zinc/72/63/30/809726330.db2.gz LGWGFAQKBYBPKY-UHFFFAOYSA-N 0 3 252.358 2.000 20 30 CEEDHN C=CCC(C)(C)C(=O)NCCCNCc1ocnc1C ZINC001167363368 802737699 /nfs/dbraw/zinc/73/76/99/802737699.db2.gz VCQYGNWAIPRWRX-UHFFFAOYSA-N 0 3 279.384 2.181 20 30 CEEDHN C=C(C)CCC(=O)N[C@H]1C[C@H](NCc2ccccn2)C1 ZINC001266595599 802754063 /nfs/dbraw/zinc/75/40/63/802754063.db2.gz APPPTZRFIQPLKH-SHTZXODSSA-N 0 3 273.380 2.175 20 30 CEEDHN C=CCN(CCNC(=O)c1nccc2occc21)C1CC1 ZINC001266602904 802759267 /nfs/dbraw/zinc/75/92/67/802759267.db2.gz ZVHCAPDIEITZRR-UHFFFAOYSA-N 0 3 285.347 2.208 20 30 CEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cocc2C)C1 ZINC001021649886 802775387 /nfs/dbraw/zinc/77/53/87/802775387.db2.gz UUQULJYQMQDNTB-ZBFHGGJFSA-N 0 3 286.375 2.148 20 30 CEEDHN C=C(C)CN(CCNC(=O)[C@@H]1C[C@H]1C(C)C)C1CC1 ZINC001266615188 802780736 /nfs/dbraw/zinc/78/07/36/802780736.db2.gz BQKXDDCKVOZZNU-LSDHHAIUSA-N 0 3 264.413 2.435 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001266752737 802879918 /nfs/dbraw/zinc/87/99/18/802879918.db2.gz WARBMWIOPSIXHO-KGLIPLIRSA-N 0 3 298.377 2.273 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)CCc2cccc(C)c2)C1 ZINC001266755929 802881845 /nfs/dbraw/zinc/88/18/45/802881845.db2.gz WKMNSNSYQNHUHX-SFHVURJKSA-N 0 3 298.430 2.389 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CC1(OC)CCC1 ZINC001266839490 802932531 /nfs/dbraw/zinc/93/25/31/802932531.db2.gz BOUWQKYXKBCKHJ-OAHLLOKOSA-N 0 3 294.439 2.492 20 30 CEEDHN C=CCN1CCCC[C@@H]1CNC(=O)CC[C@H]1CCCCO1 ZINC001266856604 802947763 /nfs/dbraw/zinc/94/77/63/802947763.db2.gz UXYSAVBZVMHWST-HZPDHXFCSA-N 0 3 294.439 2.492 20 30 CEEDHN C=CCN1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCCCO1 ZINC001266856602 802947784 /nfs/dbraw/zinc/94/77/84/802947784.db2.gz UXYSAVBZVMHWST-CVEARBPZSA-N 0 3 294.439 2.492 20 30 CEEDHN C=C(C)CN1CCC[C@H]([C@@H](C)NC(=O)C(=O)C(C)(C)C)C1 ZINC001266889351 802971088 /nfs/dbraw/zinc/97/10/88/802971088.db2.gz AZQWZABGSVKIRB-KGLIPLIRSA-N 0 3 294.439 2.394 20 30 CEEDHN C=CCCC(=O)NC[C@@H](C)NCc1scnc1C ZINC001266924883 803001535 /nfs/dbraw/zinc/00/15/35/803001535.db2.gz JMIJIHLPAGCBQU-SNVBAGLBSA-N 0 3 267.398 2.012 20 30 CEEDHN CC#CCN[C@H](C)CNC(=O)C[C@@H]1CCc2ccccc2C1 ZINC001266990754 803040562 /nfs/dbraw/zinc/04/05/62/803040562.db2.gz VTEUQARNBIIRKB-HZPDHXFCSA-N 0 3 298.430 2.299 20 30 CEEDHN C=CCCC(=O)N1CC[C@H](CNCc2nccs2)C1 ZINC001267033782 803070124 /nfs/dbraw/zinc/07/01/24/803070124.db2.gz ZKWFRPWIQZPJLA-GFCCVEGCSA-N 0 3 279.409 2.047 20 30 CEEDHN C[C@@H](C(=O)NCCNCc1cccc(C#N)c1)c1ccco1 ZINC001133724360 813143951 /nfs/dbraw/zinc/14/39/51/813143951.db2.gz OMSUQQUVOHJWIL-CYBMUJFWSA-N 0 3 297.358 2.161 20 30 CEEDHN C=CCN(C)CCNC(=O)CCOc1cc(C)cc(C)c1 ZINC001267199479 803225546 /nfs/dbraw/zinc/22/55/46/803225546.db2.gz PUTKQFUHFLPKDU-UHFFFAOYSA-N 0 3 290.407 2.306 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1ccc(C)c(OC)c1 ZINC001267205904 803232078 /nfs/dbraw/zinc/23/20/78/803232078.db2.gz FIMKSOWMVDGOGB-UHFFFAOYSA-N 0 3 276.380 2.241 20 30 CEEDHN CN1CCN(c2ccc(NCCCS)cc2)CC1 ZINC001171002220 813736124 /nfs/dbraw/zinc/73/61/24/813736124.db2.gz KDPJBFOJCCEZGP-UHFFFAOYSA-N 0 3 265.426 2.170 20 30 CEEDHN C#CCCN(C)CCNC(=O)[C@H](C)c1ccccc1C ZINC001267230947 803261986 /nfs/dbraw/zinc/26/19/86/803261986.db2.gz IWJBEZXUNPXFDA-OAHLLOKOSA-N 0 3 272.392 2.170 20 30 CEEDHN C=CCN(CC)CCNC(=O)CCc1scnc1C ZINC001267254096 803297570 /nfs/dbraw/zinc/29/75/70/803297570.db2.gz CJVCVCNREJRUDN-UHFFFAOYSA-N 0 3 281.425 2.008 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)C[C@H](C)c1ccncc1 ZINC001267270827 803317163 /nfs/dbraw/zinc/31/71/63/803317163.db2.gz MRQRAGSEGZBDQP-GOEBONIOSA-N 0 3 287.407 2.342 20 30 CEEDHN C=CCN[C@@H](CNC(=O)C#CC(C)C)c1ccccc1 ZINC001267356338 803403207 /nfs/dbraw/zinc/40/32/07/803403207.db2.gz DAKGBGCNRIODMA-INIZCTEOSA-N 0 3 270.376 2.279 20 30 CEEDHN CC#CCNCCN(C)C(=O)[C@@]1(c2ccccc2)CC1(C)C ZINC001267444542 803467060 /nfs/dbraw/zinc/46/70/60/803467060.db2.gz INRFDVHKDVIYSU-IBGZPJMESA-N 0 3 298.430 2.426 20 30 CEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)C(C)C)C(C)(C)[C@H]21 ZINC001087276333 803496820 /nfs/dbraw/zinc/49/68/20/803496820.db2.gz VYEYMSKVQNBCEC-KFWWJZLASA-N 0 3 276.424 2.271 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@@H]2CCN(CC#CC)[C@@H]2C1 ZINC001042181180 803497746 /nfs/dbraw/zinc/49/77/46/803497746.db2.gz DOHZBQFQNPJZKF-LSDHHAIUSA-N 0 3 274.408 2.145 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)COCCC)C1 ZINC001267539666 803536324 /nfs/dbraw/zinc/53/63/24/803536324.db2.gz TVIGQUAKHLSRCH-OAHLLOKOSA-N 0 3 282.428 2.302 20 30 CEEDHN C=CC(C)(C)CNCc1c(Cl)nc(OC)n1C ZINC001117794005 814950712 /nfs/dbraw/zinc/95/07/12/814950712.db2.gz IWXUUMWHLXPJPM-UHFFFAOYSA-N 0 3 257.765 2.384 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC(=C)C ZINC001267704214 803665911 /nfs/dbraw/zinc/66/59/11/803665911.db2.gz JCODYCGDGJOQNW-PMPSAXMXSA-N 0 3 292.423 2.219 20 30 CEEDHN C[C@H](CC(C)(C)C#N)NCC(=O)NCc1ccccc1 ZINC000695861087 803830186 /nfs/dbraw/zinc/83/01/86/803830186.db2.gz YHUDZSDXUWVFMV-CYBMUJFWSA-N 0 3 273.380 2.221 20 30 CEEDHN CC(C)(C)SCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125078421 803980266 /nfs/dbraw/zinc/98/02/66/803980266.db2.gz RDCIORAHHOAWST-SNVBAGLBSA-N 0 3 291.376 2.261 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC001027281946 804017181 /nfs/dbraw/zinc/01/71/81/804017181.db2.gz CNSCMFMSSIRKDA-MRXNPFEDSA-N 0 3 270.376 2.165 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C(C)(C)C(C)C)C1 ZINC001027424333 804070131 /nfs/dbraw/zinc/07/01/31/804070131.db2.gz WRHMCGPJCVIHQI-AWEZNQCLSA-N 0 3 264.413 2.225 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccoc2C2CC2)C1 ZINC001027547620 804116153 /nfs/dbraw/zinc/11/61/53/804116153.db2.gz VGCQCCHMBVXEOI-CQSZACIVSA-N 0 3 286.375 2.327 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(C)cc2F)C1 ZINC001027591896 804141742 /nfs/dbraw/zinc/14/17/42/804141742.db2.gz HLXIFQRXEIDWPF-CQSZACIVSA-N 0 3 288.366 2.304 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2CCC=CCC2)C1 ZINC001027684466 804193891 /nfs/dbraw/zinc/19/38/91/804193891.db2.gz CCLZBBMHKXSTFX-MRXNPFEDSA-N 0 3 274.408 2.289 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC001027735793 804228923 /nfs/dbraw/zinc/22/89/23/804228923.db2.gz ZBBOKSZOPOSGJR-OAHLLOKOSA-N 0 3 258.365 2.375 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001027745987 804232019 /nfs/dbraw/zinc/23/20/19/804232019.db2.gz IWMRSCMHYMODLU-GJZGRUSLSA-N 0 3 262.397 2.499 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccc(C)n1 ZINC001027762355 804243820 /nfs/dbraw/zinc/24/38/20/804243820.db2.gz MTMOYTLCHRWUTJ-AWEZNQCLSA-N 0 3 273.380 2.160 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001027815257 804274041 /nfs/dbraw/zinc/27/40/41/804274041.db2.gz JOPXWZHKFYMKNQ-CQSZACIVSA-N 0 3 274.364 2.114 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1c(C)[nH]nc1Cl ZINC001027925264 804346003 /nfs/dbraw/zinc/34/60/03/804346003.db2.gz QNZOIEVMRCIRSK-NSHDSACASA-N 0 3 296.802 2.142 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001027930503 804348502 /nfs/dbraw/zinc/34/85/02/804348502.db2.gz QGHNHYVTCUZIPS-INIZCTEOSA-N 0 3 299.418 2.423 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC001027973284 804375025 /nfs/dbraw/zinc/37/50/25/804375025.db2.gz NXSGRIXWBRMNET-CYBMUJFWSA-N 0 3 274.364 2.060 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1nccc2occc21 ZINC001028043068 804409776 /nfs/dbraw/zinc/40/97/76/804409776.db2.gz FPYONDDXTCYQHJ-ZDUSSCGKSA-N 0 3 297.358 2.045 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001028131938 804486519 /nfs/dbraw/zinc/48/65/19/804486519.db2.gz RHAGJKPGKUYMCK-JTQLQIEISA-N 0 3 298.337 2.118 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(C)ccc1F ZINC001028166228 804510319 /nfs/dbraw/zinc/51/03/19/804510319.db2.gz JGIPQRKTDQWJMN-CQSZACIVSA-N 0 3 288.366 2.352 20 30 CEEDHN C=CCCC(=O)N1CCC[C@H](NCc2cncc(C)c2)C1 ZINC001207635677 804554504 /nfs/dbraw/zinc/55/45/04/804554504.db2.gz LMXOUHYVQHLDNE-INIZCTEOSA-N 0 3 287.407 2.437 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)CCc1ccccc1 ZINC001268255591 804575912 /nfs/dbraw/zinc/57/59/12/804575912.db2.gz IAVNLFPTUJWJBS-UHFFFAOYSA-N 0 3 272.392 2.033 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc2[nH]c(C)nc21 ZINC001028245834 804608975 /nfs/dbraw/zinc/60/89/75/804608975.db2.gz KGFWWRXFTOAOLH-CYBMUJFWSA-N 0 3 298.390 2.252 20 30 CEEDHN C#CCCCC(=O)N[C@@H](C)CCNCc1ccc(F)cn1 ZINC001268355405 804627049 /nfs/dbraw/zinc/62/70/49/804627049.db2.gz BRLSHHBMKVVFRK-ZDUSSCGKSA-N 0 3 291.370 2.009 20 30 CEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ncccc1CC ZINC001268378528 804640833 /nfs/dbraw/zinc/64/08/33/804640833.db2.gz WLEPPAXTJATAJE-GFCCVEGCSA-N 0 3 295.814 2.495 20 30 CEEDHN C[C@@H](CNC(=O)[C@H](N)CCCCC#N)C(C)(C)C ZINC000691562464 815032297 /nfs/dbraw/zinc/03/22/97/815032297.db2.gz WKQFHZGRFRONPT-NWDGAFQWSA-N 0 3 253.390 2.196 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001028304774 804705428 /nfs/dbraw/zinc/70/54/28/804705428.db2.gz ZOVYXURBPADBEB-AWEZNQCLSA-N 0 3 275.396 2.022 20 30 CEEDHN CC#CCNCCN(CC)C(=O)[C@@H](F)Cc1ccccc1 ZINC001268499285 804768075 /nfs/dbraw/zinc/76/80/75/804768075.db2.gz ISWHFISQAPNOLA-INIZCTEOSA-N 0 3 290.382 2.029 20 30 CEEDHN CC#CCNC/C=C/CNC(=O)c1cc2c(o1)CCCC2 ZINC001268548357 804816107 /nfs/dbraw/zinc/81/61/07/804816107.db2.gz NVHDRZUHTUIAAY-VOTSOKGWSA-N 0 3 286.375 2.057 20 30 CEEDHN CC#CCNC/C=C\CNC(=O)c1cc(C)c(F)cc1F ZINC001268558318 804821169 /nfs/dbraw/zinc/82/11/69/804821169.db2.gz XPVPBUFIISDULD-WAYWQWQTSA-N 0 3 292.329 2.172 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001028537026 804834215 /nfs/dbraw/zinc/83/42/15/804834215.db2.gz FZBYJWKFPNFOFN-JKSUJKDBSA-N 0 3 288.435 2.418 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)C3C(C)(C)C3(C)C)[C@@H]2C1 ZINC001075651894 804853433 /nfs/dbraw/zinc/85/34/33/804853433.db2.gz SOPDHDDFYRMNJQ-QWHCGFSZSA-N 0 3 276.424 2.387 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)[C@H]1C ZINC001088842970 804859527 /nfs/dbraw/zinc/85/95/27/804859527.db2.gz JPWQLWVWDCEJIY-SYQHCUMBSA-N 0 3 250.386 2.188 20 30 CEEDHN C#CCNC/C=C/CNC(=O)CCCc1sccc1C ZINC001268620407 804894242 /nfs/dbraw/zinc/89/42/42/804894242.db2.gz WGQVFNRZWDUXQK-SNAWJCMRSA-N 0 3 290.432 2.274 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001038398658 804913575 /nfs/dbraw/zinc/91/35/75/804913575.db2.gz RBCZFLKSBVJWCL-NEPJUHHUSA-N 0 3 272.339 2.188 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H](C)CNC[C@H](F)CC)cc1 ZINC001268697605 804931570 /nfs/dbraw/zinc/93/15/70/804931570.db2.gz FFQMKEVRRSURKR-SWLSCSKDSA-N 0 3 276.355 2.124 20 30 CEEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)C1CC=CC1 ZINC001268725724 804946940 /nfs/dbraw/zinc/94/69/40/804946940.db2.gz VDLRLOSVIPMTLH-AWEZNQCLSA-N 0 3 297.402 2.461 20 30 CEEDHN C=CCN(C)C[C@@H](C)NC(=O)C1(c2ccccc2F)CC1 ZINC001268752700 804961058 /nfs/dbraw/zinc/96/10/58/804961058.db2.gz KAZKWJNNGOGNAA-CYBMUJFWSA-N 0 3 290.382 2.480 20 30 CEEDHN C=C(Cl)CNCCCN(C)C(=O)C1CC(F)(F)C1 ZINC001268786509 804971101 /nfs/dbraw/zinc/97/11/01/804971101.db2.gz BQQKMUGEXYLHFB-UHFFFAOYSA-N 0 3 280.746 2.222 20 30 CEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc[nH]c1CC ZINC001268791350 804974013 /nfs/dbraw/zinc/97/40/13/804974013.db2.gz YUWUQKMAJCIWAC-UHFFFAOYSA-N 0 3 283.803 2.381 20 30 CEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCC1CC1 ZINC001268929849 805002256 /nfs/dbraw/zinc/00/22/56/805002256.db2.gz NUXFWKRBZNMZLL-GJZGRUSLSA-N 0 3 262.397 2.428 20 30 CEEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)COC ZINC001268929535 805003708 /nfs/dbraw/zinc/00/37/08/805003708.db2.gz CTJABEWPQFXYGW-PMPSAXMXSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)/C=C/C(C)(C)C)C1 ZINC001269118011 805054595 /nfs/dbraw/zinc/05/45/95/805054595.db2.gz IQUJRVMJZUJRKJ-STMXVASLSA-N 0 3 250.386 2.355 20 30 CEEDHN O=C(C#CC1CC1)N[C@@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC001269126209 805056664 /nfs/dbraw/zinc/05/66/64/805056664.db2.gz DOGZHEDUPPGZGI-AEFFLSMTSA-N 0 3 294.398 2.278 20 30 CEEDHN C=CCCC(=O)NC[C@H]1CCN1CCCC1CCOCC1 ZINC001269204845 805079060 /nfs/dbraw/zinc/07/90/60/805079060.db2.gz GIPGPQYLBOGINL-MRXNPFEDSA-N 0 3 294.439 2.350 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)CC(F)(F)F)C1 ZINC001269257738 805103125 /nfs/dbraw/zinc/10/31/25/805103125.db2.gz VUTLDQKUYFQZQN-NEPJUHHUSA-N 0 3 290.329 2.131 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN1C[C@H](OC)C1CCC1 ZINC001269271536 805107921 /nfs/dbraw/zinc/10/79/21/805107921.db2.gz AXTNTSZVMVYUTN-GJZGRUSLSA-N 0 3 294.439 2.204 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccn3ccccc23)C1 ZINC001028682564 805113025 /nfs/dbraw/zinc/11/30/25/805113025.db2.gz LHELFAIIIVXOMW-OAHLLOKOSA-N 0 3 295.386 2.014 20 30 CEEDHN C#CCNC1(CNC(=O)CC2CCC(C)(C)CC2)CC1 ZINC001269548128 805193273 /nfs/dbraw/zinc/19/32/73/805193273.db2.gz APFFXLDFDKCPSC-UHFFFAOYSA-N 0 3 276.424 2.465 20 30 CEEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC001280019214 805215120 /nfs/dbraw/zinc/21/51/20/805215120.db2.gz CYFRUNLVGHZCCD-ZDUSSCGKSA-N 0 3 296.798 2.403 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2coc(C(F)F)c2)C1 ZINC001028763904 805222268 /nfs/dbraw/zinc/22/22/68/805222268.db2.gz VCPWOOFAFCRYNY-LLVKDONJSA-N 0 3 296.317 2.292 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(Cl)cc2C)C1 ZINC001028778898 805243682 /nfs/dbraw/zinc/24/36/82/805243682.db2.gz OFHFJYPCDNDUJP-ZDUSSCGKSA-N 0 3 290.794 2.333 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001028793724 805258670 /nfs/dbraw/zinc/25/86/70/805258670.db2.gz ZYKXMRGKRUBJOD-BFYDXBDKSA-N 0 3 274.408 2.028 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001028829255 805286955 /nfs/dbraw/zinc/28/69/55/805286955.db2.gz PHKZRYKZSMUOTM-LLVKDONJSA-N 0 3 294.757 2.164 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H]2CC23CCCC3)C1 ZINC001028908318 805350518 /nfs/dbraw/zinc/35/05/18/805350518.db2.gz HZRHXHFUCJAKBB-LSDHHAIUSA-N 0 3 274.408 2.028 20 30 CEEDHN C[C@H](C#N)c1cccc(C(=O)N2CCC3(CN(C)C3)CC2)c1 ZINC001270138650 805353149 /nfs/dbraw/zinc/35/31/49/805353149.db2.gz HIAFWEGCRNJFAX-CQSZACIVSA-N 0 3 297.402 2.481 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccccc2Cl)C1 ZINC001028946920 805377422 /nfs/dbraw/zinc/37/74/22/805377422.db2.gz OYECYRCGWLVPCE-LBPRGKRZSA-N 0 3 276.767 2.025 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(Cl)s2)C1 ZINC001028968264 805392297 /nfs/dbraw/zinc/39/22/97/805392297.db2.gz LWFJOECHAALWRF-JTQLQIEISA-N 0 3 282.796 2.086 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc(C)c(C)s2)C1 ZINC001028976395 805397169 /nfs/dbraw/zinc/39/71/69/805397169.db2.gz SVDZXROLOLVGKI-ZDUSSCGKSA-N 0 3 276.405 2.050 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)C[C@@H](C)c2ccncc2)C1 ZINC001270600254 805480667 /nfs/dbraw/zinc/48/06/67/805480667.db2.gz XCWHAPFJHDBUIJ-PBHICJAKSA-N 0 3 287.407 2.342 20 30 CEEDHN C#CCOCCN(C)Cc1cnc(OC)c2ccccc12 ZINC001119253033 815078991 /nfs/dbraw/zinc/07/89/91/815078991.db2.gz XINTUPAOSPXNGA-UHFFFAOYSA-N 0 3 284.359 2.325 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CC23CCCC3)[C@H]1C ZINC001088957716 807294646 /nfs/dbraw/zinc/29/46/46/807294646.db2.gz SFPIDCROTACIBX-RDBSUJKOSA-N 0 3 262.397 2.332 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccoc2CCC)[C@H]1C ZINC001088979604 807301822 /nfs/dbraw/zinc/30/18/22/807301822.db2.gz WTUADCGNPMHASF-HIFRSBDPSA-N 0 3 288.391 2.448 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)Cn2ccc3ccccc32)[C@H]1C ZINC001089047158 807321692 /nfs/dbraw/zinc/32/16/92/807321692.db2.gz TXZRZLCJCCBZEN-ZBFHGGJFSA-N 0 3 297.402 2.406 20 30 CEEDHN C#CCN1CCC[C@@H](NCc2ncccc2C(F)(F)F)C1 ZINC001119440311 815111769 /nfs/dbraw/zinc/11/17/69/815111769.db2.gz HAQCVYWRHRNODU-GFCCVEGCSA-N 0 3 297.324 2.288 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CCS[C@@H](C)[C@H]1C ZINC001121959574 807549588 /nfs/dbraw/zinc/54/95/88/807549588.db2.gz KMFIRFWRFWQHSY-WOPDTQHZSA-N 0 3 256.415 2.022 20 30 CEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001272619266 807822951 /nfs/dbraw/zinc/82/29/51/807822951.db2.gz TUJZZWQNMKNNTM-HUUCEWRRSA-N 0 3 286.375 2.144 20 30 CEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001272619266 807822958 /nfs/dbraw/zinc/82/29/58/807822958.db2.gz TUJZZWQNMKNNTM-HUUCEWRRSA-N 0 3 286.375 2.144 20 30 CEEDHN C#CC[C@H](COC)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000716818740 815151199 /nfs/dbraw/zinc/15/11/99/815151199.db2.gz KLFTWUSYYUOURX-GFCCVEGCSA-N 0 3 283.755 2.182 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CC=CCC2)s1 ZINC001123380869 807887437 /nfs/dbraw/zinc/88/74/37/807887437.db2.gz GRPPJXNTSHRNNR-GFCCVEGCSA-N 0 3 289.404 2.182 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1 ZINC000130580216 807972655 /nfs/dbraw/zinc/97/26/55/807972655.db2.gz PVXCRLFFEIJYQI-OCCSQVGLSA-N 0 3 272.348 2.414 20 30 CEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2nccs2)cc1 ZINC001272700269 808183847 /nfs/dbraw/zinc/18/38/47/808183847.db2.gz ISXHBTUTBLTLSD-LBPRGKRZSA-N 0 3 299.399 2.357 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccnc2C2CC2)CC1 ZINC001119994462 815185110 /nfs/dbraw/zinc/18/51/10/815185110.db2.gz DLLZDIRKTBKBCH-UHFFFAOYSA-N 0 3 283.375 2.243 20 30 CEEDHN C#CCCN1CC(CNC(=O)[C@@H]2C[C@@]2(CC)C(C)C)C1 ZINC001032085872 808276093 /nfs/dbraw/zinc/27/60/93/808276093.db2.gz FMABALFFPXYGEX-RDJZCZTQSA-N 0 3 276.424 2.130 20 30 CEEDHN C#CCCN1CC(CNC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001032193014 808321119 /nfs/dbraw/zinc/32/11/19/808321119.db2.gz FBICXWWDQIZHJD-UHFFFAOYSA-N 0 3 288.366 2.127 20 30 CEEDHN C=CCN1C[C@H](NC(=O)[C@H](C)CC)CC2(CCOCC2)C1 ZINC001099565929 808452524 /nfs/dbraw/zinc/45/25/24/808452524.db2.gz KNYMJLPFLKRTJM-HUUCEWRRSA-N 0 3 294.439 2.206 20 30 CEEDHN C=CCCC(=O)NC[C@]1(C)CN(CC2CCCC2)CCO1 ZINC001107802339 808533930 /nfs/dbraw/zinc/53/39/30/808533930.db2.gz PIWARZDZXMGGFA-QGZVFWFLSA-N 0 3 294.439 2.350 20 30 CEEDHN C#CCCCC(=O)N1CCC[C@H]([C@@H]2CCCN2CCF)C1 ZINC001120382263 815217332 /nfs/dbraw/zinc/21/73/32/815217332.db2.gz OIDVKUMOXFJHOY-HOTGVXAUSA-N 0 3 294.414 2.462 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)c2oc(C)cc2C)CC1 ZINC000997522757 808645356 /nfs/dbraw/zinc/64/53/56/808645356.db2.gz FADBBQUWOSRVIT-AWEZNQCLSA-N 0 3 288.391 2.360 20 30 CEEDHN C#C[C@H](C)NC[C@@H](O)COc1ccc(/C=C/C)cc1OC ZINC001120491785 815228543 /nfs/dbraw/zinc/22/85/43/815228543.db2.gz DASLQWQFEINAFQ-KSLFURFDSA-N 0 3 289.375 2.079 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1CCC ZINC001032579482 808711888 /nfs/dbraw/zinc/71/18/88/808711888.db2.gz BJPQUMZEHBMJIY-KBPBESRZSA-N 0 3 287.407 2.442 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC1 ZINC001032606297 808727468 /nfs/dbraw/zinc/72/74/68/808727468.db2.gz RTFOSNZMTUSRCP-DZKIICNBSA-N 0 3 262.397 2.284 20 30 CEEDHN O[C@@H](CNCC#C[C@@H]1CCCCO1)c1ccc(F)c(F)c1 ZINC001120525324 815233745 /nfs/dbraw/zinc/23/37/45/815233745.db2.gz PIXAAJADUFNMDO-BBRMVZONSA-N 0 3 295.329 2.160 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)CCc1ccccc1 ZINC001171865048 815246610 /nfs/dbraw/zinc/24/66/10/815246610.db2.gz PLCDKHKHFAPJNT-UHFFFAOYSA-N 0 3 280.799 2.468 20 30 CEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(C2CC2)on1 ZINC001272936166 808956438 /nfs/dbraw/zinc/95/64/38/808956438.db2.gz LFFXSLJALZDKDS-SNVBAGLBSA-N 0 3 297.786 2.403 20 30 CEEDHN C=C(C)CCC(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001128404752 809044973 /nfs/dbraw/zinc/04/49/73/809044973.db2.gz COVXTMGCORJVLE-UHFFFAOYSA-N 0 3 289.354 2.259 20 30 CEEDHN C=C(C)CCC(=O)NCCNCc1ccc(F)cc1 ZINC001128404692 809045374 /nfs/dbraw/zinc/04/53/74/809045374.db2.gz BNZFWOUBEOXJIV-UHFFFAOYSA-N 0 3 264.344 2.388 20 30 CEEDHN C=C(C)CCN1CC[C@H](N(C)C(=O)C(C)(F)F)C1 ZINC001032871864 809098441 /nfs/dbraw/zinc/09/84/41/809098441.db2.gz MZKSJACCUURQQP-NSHDSACASA-N 0 3 260.328 2.141 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc(C)c2)C1 ZINC001032881157 809106875 /nfs/dbraw/zinc/10/68/75/809106875.db2.gz UUTFSXASGTUSKF-INIZCTEOSA-N 0 3 270.376 2.165 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(C)n2C)C1 ZINC001032906988 809114618 /nfs/dbraw/zinc/11/46/18/809114618.db2.gz RJQRCFFRYINNER-AWEZNQCLSA-N 0 3 275.396 2.056 20 30 CEEDHN N#Cc1ccc2c(c1)CCN([C@@H]1CCN(C3CC3)C(=O)C1)C2 ZINC001172010288 815263341 /nfs/dbraw/zinc/26/33/41/815263341.db2.gz JXXMUHNAAXTWHG-QGZVFWFLSA-N 0 3 295.386 2.070 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnccc2C)C1 ZINC001032973283 809132250 /nfs/dbraw/zinc/13/22/50/809132250.db2.gz RFQRZBPPNIQHDK-AWEZNQCLSA-N 0 3 273.380 2.112 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@@H]2CCCCO2)C1 ZINC001032991861 809140812 /nfs/dbraw/zinc/14/08/12/809140812.db2.gz HVAMKSYLYCMAQX-GJZGRUSLSA-N 0 3 280.412 2.054 20 30 CEEDHN CC(=O)N1CC[C@H](NCc2ccccc2C#N)C[C@@H]1C ZINC001044389797 809149980 /nfs/dbraw/zinc/14/99/80/809149980.db2.gz PUBLAGSRXGVZGF-LRDDRELGSA-N 0 3 271.364 2.047 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(F)c(F)c2)C1 ZINC001033147461 809200813 /nfs/dbraw/zinc/20/08/13/809200813.db2.gz XQVLCPULBYGCSQ-ZDUSSCGKSA-N 0 3 292.329 2.134 20 30 CEEDHN CC#CCNC1(CNC(=O)C[C@@H](C)c2ccncc2)CCC1 ZINC001273106643 809218604 /nfs/dbraw/zinc/21/86/04/809218604.db2.gz RXLACRHTNIKQJF-OAHLLOKOSA-N 0 3 299.418 2.227 20 30 CEEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H]2C=CCCC2)C1 ZINC001033184563 809227337 /nfs/dbraw/zinc/22/73/37/809227337.db2.gz PEPUEXXEPZNXMT-GJZGRUSLSA-N 0 3 262.397 2.452 20 30 CEEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001033330550 809271784 /nfs/dbraw/zinc/27/17/84/809271784.db2.gz XPWNIMDIZPGYBL-CABCVRRESA-N 0 3 262.397 2.452 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@]2(C)C=CCC2)C1 ZINC001033337141 809275593 /nfs/dbraw/zinc/27/55/93/809275593.db2.gz GIEIFLVZWCKPQQ-ZBFHGGJFSA-N 0 3 262.397 2.452 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc[nH]c2C2CC2)C1 ZINC001033369467 809284293 /nfs/dbraw/zinc/28/42/93/809284293.db2.gz UEBNEXKGLJFIFG-CQSZACIVSA-N 0 3 285.391 2.062 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccco2)C1 ZINC001033408040 809292179 /nfs/dbraw/zinc/29/21/79/809292179.db2.gz BQVNXLOZOVUVDO-KBPBESRZSA-N 0 3 276.380 2.492 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001033455878 809306153 /nfs/dbraw/zinc/30/61/53/809306153.db2.gz OMEZJTQQWMFGEW-INIZCTEOSA-N 0 3 295.386 2.338 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001033496846 809321913 /nfs/dbraw/zinc/32/19/13/809321913.db2.gz HTAKJGIFTOTIMJ-PMPSAXMXSA-N 0 3 292.423 2.076 20 30 CEEDHN C#Cc1ccccc1CC(=O)N(C)[C@@H]1CCN(CC(=C)C)C1 ZINC001033616848 809362900 /nfs/dbraw/zinc/36/29/00/809362900.db2.gz MSJQYANHVHSKOF-GOSISDBHSA-N 0 3 296.414 2.319 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2ccc(C)s2)C1 ZINC001033687259 809380578 /nfs/dbraw/zinc/38/05/78/809380578.db2.gz DHIQQSFUJBGAFI-AWEZNQCLSA-N 0 3 290.432 2.155 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc3c2CCC3)C1 ZINC001033701226 809385434 /nfs/dbraw/zinc/38/54/34/809385434.db2.gz HOMOEKZAJMXCTL-MRXNPFEDSA-N 0 3 296.414 2.345 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)C2=CCCC2)C1 ZINC001033794966 809419581 /nfs/dbraw/zinc/41/95/81/809419581.db2.gz ISMRFILIDBPOJR-HNNXBMFYSA-N 0 3 260.381 2.043 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C2=CCCC2)C1 ZINC001033794967 809420059 /nfs/dbraw/zinc/42/00/59/809420059.db2.gz ISMRFILIDBPOJR-OAHLLOKOSA-N 0 3 260.381 2.043 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(F)cn2)C1 ZINC001033809882 809423039 /nfs/dbraw/zinc/42/30/39/809423039.db2.gz IXBFAWJOWBTYRQ-CQSZACIVSA-N 0 3 291.370 2.333 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CCCOCC2)C1 ZINC001033819272 809428785 /nfs/dbraw/zinc/42/87/85/809428785.db2.gz XLVOMDOHALRBJY-JKSUJKDBSA-N 0 3 294.439 2.302 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2CC=CC2)C1 ZINC001034137543 809529035 /nfs/dbraw/zinc/52/90/35/809529035.db2.gz FZLUWIOZGKCYLL-HNNXBMFYSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001034164247 809538692 /nfs/dbraw/zinc/53/86/92/809538692.db2.gz PPBIICNVJWVSTC-BYNSBNAKSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc3n[nH]cc32)C1 ZINC001034336880 809581551 /nfs/dbraw/zinc/58/15/51/809581551.db2.gz QMNVCNPSTCBURZ-CYBMUJFWSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001034351526 809587295 /nfs/dbraw/zinc/58/72/95/809587295.db2.gz TUEGAROIFYCENS-GDBMZVCRSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001034440220 809609294 /nfs/dbraw/zinc/60/92/94/809609294.db2.gz QSABABGUVYPDPI-SOUVJXGZSA-N 0 3 262.397 2.189 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(OC)o2)C1 ZINC001034458434 809613074 /nfs/dbraw/zinc/61/30/74/809613074.db2.gz PYNCMBLPLHUHGT-ZDUSSCGKSA-N 0 3 292.379 2.449 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccn2CC)C1 ZINC001034531380 809624898 /nfs/dbraw/zinc/62/48/98/809624898.db2.gz HNYHZODRRYCYNU-CQSZACIVSA-N 0 3 275.396 2.278 20 30 CEEDHN N#Cc1ccccc1CN[C@H]1CC[C@H](NC(=O)C2CC2)CC1 ZINC001034577340 809637593 /nfs/dbraw/zinc/63/75/93/809637593.db2.gz ZUWRJFFVJFXEDH-QAQDUYKDSA-N 0 3 297.402 2.485 20 30 CEEDHN C=CCN1CCC2(C1)CCN(C(=O)C(=O)C(C)(C)C)CC2 ZINC001035167438 809756373 /nfs/dbraw/zinc/75/63/73/809756373.db2.gz ILDOXOHIWYYJKV-UHFFFAOYSA-N 0 3 292.423 2.102 20 30 CEEDHN CCC(=O)N1CC[C@@H]2[C@H](CCN2CC#Cc2ccccc2)C1 ZINC001036608252 809963025 /nfs/dbraw/zinc/96/30/25/809963025.db2.gz IFOYWCNNAYRIQZ-QZTJIDSGSA-N 0 3 296.414 2.371 20 30 CEEDHN CCC(=O)N1CC[C@H]2[C@H](CCN2CC#Cc2ccccc2)C1 ZINC001036608251 809963482 /nfs/dbraw/zinc/96/34/82/809963482.db2.gz IFOYWCNNAYRIQZ-MSOLQXFVSA-N 0 3 296.414 2.371 20 30 CEEDHN C#C[C@H](NCc1cc(C(=O)OC)cs1)C(C)C ZINC000711404742 810067262 /nfs/dbraw/zinc/06/72/62/810067262.db2.gz BAYGQJTZQUWVCR-LBPRGKRZSA-N 0 3 251.351 2.282 20 30 CEEDHN C=CCC(C)(C)C(=O)NCC1(NCC#CC)CCC1 ZINC001273161752 810068136 /nfs/dbraw/zinc/06/81/36/810068136.db2.gz NHSCETOEFCLZRR-UHFFFAOYSA-N 0 3 262.397 2.241 20 30 CEEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1ccnc(C)c1)CC2 ZINC001273188258 810108978 /nfs/dbraw/zinc/10/89/78/810108978.db2.gz LYUMXLQTKPYSQE-INIZCTEOSA-N 0 3 299.418 2.294 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001079496227 810216095 /nfs/dbraw/zinc/21/60/95/810216095.db2.gz QJLNBNQSNFXNDN-UKRRQHHQSA-N 0 3 262.397 2.499 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001079539843 810218849 /nfs/dbraw/zinc/21/88/49/810218849.db2.gz MMUHYRATPYEMJV-QMIVOQANSA-N 0 3 262.397 2.045 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC001079770236 810233035 /nfs/dbraw/zinc/23/30/35/810233035.db2.gz VXALLXYEIPHLLN-MLGOLLRUSA-N 0 3 287.407 2.325 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001079983559 810239878 /nfs/dbraw/zinc/23/98/78/810239878.db2.gz BRKIHAQBHKZXNK-ZYHUDNBSSA-N 0 3 272.339 2.044 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(C)n2)C1 ZINC001080137814 810250168 /nfs/dbraw/zinc/25/01/68/810250168.db2.gz PQNNKAPAMZLQOW-CZUORRHYSA-N 0 3 287.407 2.325 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC001080173615 810254366 /nfs/dbraw/zinc/25/43/66/810254366.db2.gz HSSLEBLLJKYOKR-GDBMZVCRSA-N 0 3 287.407 2.325 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccn(CC)c2C)C1 ZINC001080306523 810266748 /nfs/dbraw/zinc/26/67/48/810266748.db2.gz XGFSDJDKIRKORC-CZUORRHYSA-N 0 3 289.423 2.443 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccccc2CCC)C1 ZINC001015214357 810267294 /nfs/dbraw/zinc/26/72/94/810267294.db2.gz ANKPEAOGWUUMRS-MRXNPFEDSA-N 0 3 284.403 2.467 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001015326287 810279156 /nfs/dbraw/zinc/27/91/56/810279156.db2.gz YJHVFJSGJMQLFY-KKUMJFAQSA-N 0 3 262.397 2.189 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001015419105 810287517 /nfs/dbraw/zinc/28/75/17/810287517.db2.gz VXPPKXHHCHUWNA-CQSZACIVSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001015413724 810287560 /nfs/dbraw/zinc/28/75/60/810287560.db2.gz BHSALYRAHYSIDR-HNNXBMFYSA-N 0 3 297.402 2.095 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCN(CC[C@H](C)F)C2)cc1 ZINC001015479280 810294106 /nfs/dbraw/zinc/29/41/06/810294106.db2.gz AJMYBNWCQXNIHU-XJKSGUPXSA-N 0 3 288.366 2.220 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001015615846 810314834 /nfs/dbraw/zinc/31/48/34/810314834.db2.gz JBFZTAPUPVPRFE-GDBMZVCRSA-N 0 3 288.366 2.232 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001080898827 810315499 /nfs/dbraw/zinc/31/54/99/810315499.db2.gz RVNZSBSLAHPDFO-IAQYHMDHSA-N 0 3 292.329 2.038 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001080902188 810315940 /nfs/dbraw/zinc/31/59/40/810315940.db2.gz KLCLNZVSLKBLDT-NVXWUHKLSA-N 0 3 286.419 2.468 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001081048073 810328356 /nfs/dbraw/zinc/32/83/56/810328356.db2.gz WRIZOBYDYRCIKR-UKRRQHHQSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1c1ccccc1 ZINC001081216628 810333868 /nfs/dbraw/zinc/33/38/68/810333868.db2.gz LNGACNHUIVIDCR-JKSUJKDBSA-N 0 3 284.403 2.250 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)CC2=CCCCC2)[C@H](OC)C1 ZINC001081446364 810340033 /nfs/dbraw/zinc/34/00/33/810340033.db2.gz YAWSXECUQFZNIL-HZPDHXFCSA-N 0 3 292.423 2.268 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001015739978 810342528 /nfs/dbraw/zinc/34/25/28/810342528.db2.gz LHPWBPKGVRTILP-INIZCTEOSA-N 0 3 268.360 2.157 20 30 CEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2cnoc2CC)C1 ZINC001015779899 810352317 /nfs/dbraw/zinc/35/23/17/810352317.db2.gz UVUOKOYFWAMTHG-GFCCVEGCSA-N 0 3 277.368 2.007 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)C(C)(C)C2CC2)[C@H](OC)C1 ZINC001082042359 810361242 /nfs/dbraw/zinc/36/12/42/810361242.db2.gz LTBMOGIOKOHKJF-HUUCEWRRSA-N 0 3 294.439 2.204 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001016231832 810414961 /nfs/dbraw/zinc/41/49/61/810414961.db2.gz DCBBXXBQQSRGGT-GOSISDBHSA-N 0 3 298.430 2.484 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)CC2CCC(OC)CC2)C1 ZINC001016416214 810435578 /nfs/dbraw/zinc/43/55/78/810435578.db2.gz LEWJITMXWJZYPB-PCKAHOCUSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C=C3CCCCC3)[C@@H]2C1 ZINC001084220522 810450838 /nfs/dbraw/zinc/45/08/38/810450838.db2.gz LIZPQXCPKKJDIZ-IAGOWNOFSA-N 0 3 286.419 2.433 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C2CC(F)(F)C2)CC1 ZINC001016562645 810452048 /nfs/dbraw/zinc/45/20/48/810452048.db2.gz PENDUABWDLQUBD-CYBMUJFWSA-N 0 3 296.361 2.026 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C=C3CCC3)[C@@H]2C1 ZINC001084272728 810457984 /nfs/dbraw/zinc/45/79/84/810457984.db2.gz ABBBNSDLFIYGPC-HUUCEWRRSA-N 0 3 260.381 2.206 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C2(C3CC3)CC2)CC1 ZINC001016677289 810461718 /nfs/dbraw/zinc/46/17/18/810461718.db2.gz WIXFICVVCDYVJE-OAHLLOKOSA-N 0 3 286.419 2.171 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H](C)C2CCC2)CC1 ZINC001016686666 810463508 /nfs/dbraw/zinc/46/35/08/810463508.db2.gz BKRUWYZKTTXYSI-ZBFHGGJFSA-N 0 3 288.435 2.417 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001016783473 810468053 /nfs/dbraw/zinc/46/80/53/810468053.db2.gz LOLJYGSETWZGJD-GJZGRUSLSA-N 0 3 288.435 2.417 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cc(C)co2)CC1 ZINC001016783924 810468522 /nfs/dbraw/zinc/46/85/22/810468522.db2.gz STXAGZREDOKATJ-OAHLLOKOSA-N 0 3 286.375 2.196 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001016874767 810475681 /nfs/dbraw/zinc/47/56/81/810475681.db2.gz YGHCPDQWBMOUQR-ARFHVFGLSA-N 0 3 286.419 2.027 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3csc(C)n3)[C@@H]2C1 ZINC001084603313 810484906 /nfs/dbraw/zinc/48/49/06/810484906.db2.gz UURAKOINGJKLGW-TZMCWYRMSA-N 0 3 291.420 2.174 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCC(C1CC1)C1CC1 ZINC001121966939 815372612 /nfs/dbraw/zinc/37/26/12/815372612.db2.gz LGXWRMUBPZYUDP-CQSZACIVSA-N 0 3 250.386 2.222 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H](C)C3CCCC3)[C@@H]2C1 ZINC001084767740 810515409 /nfs/dbraw/zinc/51/54/09/810515409.db2.gz HVNUUBUGBIGNNI-DJIMGWMZSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CC1 ZINC001017425498 810519814 /nfs/dbraw/zinc/51/98/14/810519814.db2.gz ZOQINEMUGQGLLT-GASCZTMLSA-N 0 3 262.397 2.428 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]1OC ZINC001017677246 810542552 /nfs/dbraw/zinc/54/25/52/810542552.db2.gz QYDCSKWYECKQGV-FZKCQIBNSA-N 0 3 292.423 2.053 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)C3CC3)C[C@@H]21 ZINC001084913374 810543578 /nfs/dbraw/zinc/54/35/78/810543578.db2.gz LGZJINAKPLILKF-CFVMTHIKSA-N 0 3 262.397 2.141 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H](OC(C)C)C1 ZINC001122046927 815380907 /nfs/dbraw/zinc/38/09/07/815380907.db2.gz HJSJQAYNLGMRJY-KGLIPLIRSA-N 0 3 268.401 2.086 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@@H](C)C1 ZINC001018109620 810587148 /nfs/dbraw/zinc/58/71/48/810587148.db2.gz GQOLLMLVDVHRDD-YHUYYLMFSA-N 0 3 292.423 2.053 20 30 CEEDHN CC(C)C(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001018525543 810628441 /nfs/dbraw/zinc/62/84/41/810628441.db2.gz MZYZLPULVFKJSE-AWEZNQCLSA-N 0 3 289.354 2.044 20 30 CEEDHN C[C@H](C#N)C(=O)N1CC[C@H](NCc2cc3ccccc3o2)C1 ZINC001018629803 810638364 /nfs/dbraw/zinc/63/83/64/810638364.db2.gz ATKZEQNKHRYRMI-OCCSQVGLSA-N 0 3 297.358 2.283 20 30 CEEDHN N#CC(C(=O)C[C@H]1CCc2ccccc21)C(=O)NC1CC1 ZINC000115904541 810667396 /nfs/dbraw/zinc/66/73/96/810667396.db2.gz QQDGHXBCHJISOK-DOMZBBRYSA-N 0 3 282.343 2.094 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001019521541 810718001 /nfs/dbraw/zinc/71/80/01/810718001.db2.gz NMHLWIVIZSAFFM-YOEHRIQHSA-N 0 3 284.403 2.176 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC001019696117 810730380 /nfs/dbraw/zinc/73/03/80/810730380.db2.gz UZLOAOXTRSKIIC-ZDUSSCGKSA-N 0 3 296.292 2.143 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2C=CC=CC=C2)C1 ZINC001020202569 810777152 /nfs/dbraw/zinc/77/71/52/810777152.db2.gz MIJAQWXSMOAHET-HDJSIYSDSA-N 0 3 278.783 2.274 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1nccc2cccnc21 ZINC001038355891 810828127 /nfs/dbraw/zinc/82/81/27/810828127.db2.gz DLINZTQROONHNJ-CQSZACIVSA-N 0 3 296.374 2.010 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001038415540 810835630 /nfs/dbraw/zinc/83/56/30/810835630.db2.gz GCZREUFLZRVNNN-ZDUSSCGKSA-N 0 3 261.369 2.012 20 30 CEEDHN CC#CCNCCN(CC)C(=O)c1ccoc1Cl ZINC001273347885 810848059 /nfs/dbraw/zinc/84/80/59/810848059.db2.gz GDYGFAODHDQIIB-UHFFFAOYSA-N 0 3 268.744 2.008 20 30 CEEDHN C[C@@H]1COC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000829430976 810869841 /nfs/dbraw/zinc/86/98/41/810869841.db2.gz FGEBPGTWDSDMBQ-RNCFNFMXSA-N 0 3 250.729 2.336 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001085736560 810892091 /nfs/dbraw/zinc/89/20/91/810892091.db2.gz NVCILWNOMVLYDZ-IJEWVQPXSA-N 0 3 262.397 2.285 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001038724500 810898783 /nfs/dbraw/zinc/89/87/83/810898783.db2.gz CQIYTDHSGVCMJN-IXDOHACOSA-N 0 3 299.418 2.342 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001038798270 810917717 /nfs/dbraw/zinc/91/77/17/810917717.db2.gz MYHQQDVPIRIIMM-QLFBSQMISA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1nccc2[nH]ccc21 ZINC001085822429 810930884 /nfs/dbraw/zinc/93/08/84/810930884.db2.gz HNECMMRHIBQWDU-ZDUSSCGKSA-N 0 3 298.390 2.285 20 30 CEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)C=C2CCC2)C1 ZINC001039196663 810997856 /nfs/dbraw/zinc/99/78/56/810997856.db2.gz BGKFSRXSVGMQIA-SJORKVTESA-N 0 3 286.419 2.433 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(CC=C(C)C)C[C@H]1O ZINC001100019304 811002629 /nfs/dbraw/zinc/00/26/29/811002629.db2.gz CRMIHWHDLSBLCD-LSDHHAIUSA-N 0 3 294.439 2.106 20 30 CEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)C ZINC001039324512 811009341 /nfs/dbraw/zinc/00/93/41/811009341.db2.gz LUYCMFGHAIPFSF-KGLIPLIRSA-N 0 3 250.386 2.284 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC1(F)F ZINC001039392115 811021862 /nfs/dbraw/zinc/02/18/62/811021862.db2.gz DWDWVSJKUUPUMI-HZSPNIEDSA-N 0 3 296.361 2.120 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(F)cn2)C1 ZINC001086066517 811022854 /nfs/dbraw/zinc/02/28/54/811022854.db2.gz GZSJGUIZZRSBFW-KLPPZKSPSA-N 0 3 297.761 2.071 20 30 CEEDHN CC(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(C#N)cc1)C2 ZINC001040028333 811076393 /nfs/dbraw/zinc/07/63/93/811076393.db2.gz YYMBXVUFBDITBU-GOSISDBHSA-N 0 3 297.402 2.393 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@H](C)SC)C2)C1 ZINC001040075721 811083775 /nfs/dbraw/zinc/08/37/75/811083775.db2.gz ZFDDHLGNXFOHRM-HOCLYGCPSA-N 0 3 294.464 2.076 20 30 CEEDHN C=CCCC(=O)NCCCNCc1ccncc1Cl ZINC001155580197 811092362 /nfs/dbraw/zinc/09/23/62/811092362.db2.gz VRMQTNGUBYAKGS-UHFFFAOYSA-N 0 3 281.787 2.297 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC001040301385 811102489 /nfs/dbraw/zinc/10/24/89/811102489.db2.gz XDZGVJLWZUCNLM-QGZVFWFLSA-N 0 3 274.408 2.124 20 30 CEEDHN CC#CCN1CCC2(CCN(C(=O)/C=C\C3CC3)C2)CC1 ZINC001040652454 811123031 /nfs/dbraw/zinc/12/30/31/811123031.db2.gz LGGZRWQXPNCQMT-SREVYHEPSA-N 0 3 286.419 2.290 20 30 CEEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H](F)CC)C2)CC1 ZINC001040801750 811124565 /nfs/dbraw/zinc/12/45/65/811124565.db2.gz AHJBBEDZPKKHNM-AWEZNQCLSA-N 0 3 280.387 2.072 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)/C=C/C(C)(C)C ZINC001155796503 811140368 /nfs/dbraw/zinc/14/03/68/811140368.db2.gz WHDVMUXOAQLFDU-VOTSOKGWSA-N 0 3 258.793 2.437 20 30 CEEDHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC001122541360 815424149 /nfs/dbraw/zinc/42/41/49/815424149.db2.gz QCCYFUYSVQNDIB-CQROYNQRSA-N 0 3 286.331 2.005 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)CC3CCC3)C2)C1 ZINC001041172554 811147667 /nfs/dbraw/zinc/14/76/67/811147667.db2.gz GHQYTWIQMSHJFR-QGZVFWFLSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3ccoc3CC)C2)C1 ZINC001041242813 811154993 /nfs/dbraw/zinc/15/49/93/811154993.db2.gz CAKRXZDZHROYCR-KRWDZBQOSA-N 0 3 286.375 2.013 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001086492955 811166753 /nfs/dbraw/zinc/16/67/53/811166753.db2.gz QRTZRUGIDGTBGG-AVGNSLFASA-N 0 3 282.815 2.414 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC3(C)C)C2)C1 ZINC001041573554 811177513 /nfs/dbraw/zinc/17/75/13/811177513.db2.gz OKYFHDSMDBRWLQ-MAUKXSAKSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3ccoc3C3CC3)C2)C1 ZINC001041599619 811179247 /nfs/dbraw/zinc/17/92/47/811179247.db2.gz ISNJNEBVUZPQGU-GOSISDBHSA-N 0 3 298.386 2.328 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)C(C)(CC)CC)C2)C1 ZINC001041840201 811197903 /nfs/dbraw/zinc/19/79/03/811197903.db2.gz VJEKLHAWSQFQNQ-KRWDZBQOSA-N 0 3 276.424 2.370 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccco3)C[C@H]21 ZINC001041905703 811211570 /nfs/dbraw/zinc/21/15/70/811211570.db2.gz VQSKYHSVMRLJSC-CHWSQXEVSA-N 0 3 260.337 2.002 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)c3ccccc3)C[C@H]21 ZINC001041906713 811213079 /nfs/dbraw/zinc/21/30/79/811213079.db2.gz NJRFCBBKUIMPIO-DOTOQJQBSA-N 0 3 282.387 2.246 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccoc3C)C[C@@H]21 ZINC001041923700 811217171 /nfs/dbraw/zinc/21/71/71/811217171.db2.gz KAGGPOAUECHXHK-HIFRSBDPSA-N 0 3 274.364 2.310 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(CC)ccn3)C[C@H]21 ZINC001042072515 811241855 /nfs/dbraw/zinc/24/18/55/811241855.db2.gz KXPYOJYYPZEKHZ-NVXWUHKLSA-N 0 3 299.418 2.366 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3ccsn3)C[C@@H]21 ZINC001042109384 811244016 /nfs/dbraw/zinc/24/40/16/811244016.db2.gz JXRJCVVOBFKSEI-OCCSQVGLSA-N 0 3 291.420 2.256 20 30 CEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3ccsn3)C[C@H]21 ZINC001042109382 811244283 /nfs/dbraw/zinc/24/42/83/811244283.db2.gz JXRJCVVOBFKSEI-GXTWGEPZSA-N 0 3 291.420 2.256 20 30 CEEDHN C=CCn1cccc1C(=O)N1CC[C@H]2CCN(CC=C)[C@@H]2C1 ZINC001042096500 811244306 /nfs/dbraw/zinc/24/43/06/811244306.db2.gz ZQECEKNNYYCRHF-NVXWUHKLSA-N 0 3 299.418 2.397 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cncc(CC)c3)C[C@H]21 ZINC001042157315 811248896 /nfs/dbraw/zinc/24/88/96/811248896.db2.gz PKWQDHRJYXXDAW-NVXWUHKLSA-N 0 3 299.418 2.366 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C)co3)C[C@@H]21 ZINC001042194584 811254175 /nfs/dbraw/zinc/25/41/75/811254175.db2.gz TXQZJOXCBFZQGA-KBPBESRZSA-N 0 3 274.364 2.310 20 30 CEEDHN C#CCCN1CC[C@H]2CCN(C(=O)c3cc(C)co3)C[C@@H]21 ZINC001042193480 811254251 /nfs/dbraw/zinc/25/42/51/811254251.db2.gz NWWYQAIIHQATIR-GJZGRUSLSA-N 0 3 286.375 2.148 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(C)CC(=C)C3)C[C@@H]21 ZINC001042226813 811258011 /nfs/dbraw/zinc/25/80/11/811258011.db2.gz FYLHZAWHEHDILR-CABCVRRESA-N 0 3 274.408 2.452 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(C)nc3C)C[C@H]21 ZINC001042362328 811273639 /nfs/dbraw/zinc/27/36/39/811273639.db2.gz JPOKVORJKBXNMN-DOTOQJQBSA-N 0 3 299.418 2.421 20 30 CEEDHN C=CCCN1CC(N(C)C(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001043216662 811359062 /nfs/dbraw/zinc/35/90/62/811359062.db2.gz NRWZVYLGWJRMGS-UHFFFAOYSA-N 0 3 298.390 2.204 20 30 CEEDHN C[C@H](CCCC#N)N1CCN(c2cccnc2)CC1 ZINC001172492256 815451378 /nfs/dbraw/zinc/45/13/78/815451378.db2.gz JSOXCJMBHAUHGK-CQSZACIVSA-N 0 3 258.369 2.286 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13C[C@H]1CCCC3)C2 ZINC001095984764 811504183 /nfs/dbraw/zinc/50/41/83/811504183.db2.gz QVANDKDHJPZHDL-KCYAQADSSA-N 0 3 286.419 2.312 20 30 CEEDHN C[C@@H](CCCC#N)N1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001172507660 815457165 /nfs/dbraw/zinc/45/71/65/815457165.db2.gz XWNKIVJVXHTRBA-AWEZNQCLSA-N 0 3 295.427 2.028 20 30 CEEDHN CCCNC(=O)[C@@H]1CCCCN1[C@H](C)CCCC#N ZINC001172507657 815457676 /nfs/dbraw/zinc/45/76/76/815457676.db2.gz XVCAMOBWLDHHGM-KGLIPLIRSA-N 0 3 265.401 2.449 20 30 CEEDHN Cc1cc(N2CCN([C@H](C)CCCC#N)CC2)nc(C)n1 ZINC001172507133 815457726 /nfs/dbraw/zinc/45/77/26/815457726.db2.gz PQIKGRMBVQGBOE-CQSZACIVSA-N 0 3 287.411 2.298 20 30 CEEDHN C#C[C@](C)(CC)NC[C@@H](O)c1ccc(F)cc1F ZINC000384224609 811573633 /nfs/dbraw/zinc/57/36/33/811573633.db2.gz UQGBSZDARKULHP-ZIAGYGMSSA-N 0 3 253.292 2.390 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001045528743 811622187 /nfs/dbraw/zinc/62/21/87/811622187.db2.gz BSYNCSKWURDTPJ-WDNDVIMCSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CC[C@H](Nc1ccc2nc[nH]c2c1C)C(=O)OC ZINC001169841722 811684664 /nfs/dbraw/zinc/68/46/64/811684664.db2.gz NVMXAJLOXNLAIT-LBPRGKRZSA-N 0 3 259.309 2.401 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(Cl)o2)C1 ZINC001046143592 811695189 /nfs/dbraw/zinc/69/51/89/811695189.db2.gz KFEQBVGLXHMNEY-CQSZACIVSA-N 0 3 280.755 2.151 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2c(C)[nH]nc2Cl)C1 ZINC001046369623 811744168 /nfs/dbraw/zinc/74/41/68/811744168.db2.gz WTGJIOBRSVXUJM-AWEZNQCLSA-N 0 3 296.802 2.142 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001046478694 811762567 /nfs/dbraw/zinc/76/25/67/811762567.db2.gz KQAUOLLWXCCQIX-QGZVFWFLSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)C2CCC(=C)CC2)C1 ZINC001046594668 811781148 /nfs/dbraw/zinc/78/11/48/811781148.db2.gz MWVLHKOYOYJPMV-INIZCTEOSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCCN1CC[C@@](C)(NC(=O)c2cc(C3CC3)no2)C1 ZINC001046670035 811796301 /nfs/dbraw/zinc/79/63/01/811796301.db2.gz JXLIDBJVQNKNLG-MRXNPFEDSA-N 0 3 289.379 2.322 20 30 CEEDHN C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=C)C ZINC001109169897 811832490 /nfs/dbraw/zinc/83/24/90/811832490.db2.gz MSKFNEOLLYYKMG-PMPSAXMXSA-N 0 3 274.408 2.478 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001046864990 811833027 /nfs/dbraw/zinc/83/30/27/811833027.db2.gz ZFZRRGQFPHHYRA-XFQLPGMZSA-N 0 3 274.408 2.045 20 30 CEEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccs1)C2 ZINC001096226580 811885143 /nfs/dbraw/zinc/88/51/43/811885143.db2.gz LSHDPYMIAAGDHB-AGIUHOORSA-N 0 3 291.420 2.444 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](C)OC ZINC001109769446 811943263 /nfs/dbraw/zinc/94/32/63/811943263.db2.gz CWTQRVIVHYTVJL-XGUBFFRZSA-N 0 3 294.439 2.345 20 30 CEEDHN C=CC(C)(C)CC(=O)OC[C@H]1CCN1C1CCOCC1 ZINC001123248583 815493837 /nfs/dbraw/zinc/49/38/37/815493837.db2.gz UMGHFWBICGOQTE-CQSZACIVSA-N 0 3 281.396 2.385 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc(C)s3)C[C@@H]2C1 ZINC001048654326 812004255 /nfs/dbraw/zinc/00/42/55/812004255.db2.gz 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/nfs/dbraw/zinc/04/89/69/812048969.db2.gz NYGRZXMDDUXPSW-QXXLOIIESA-N 0 3 282.815 2.341 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@H](C)c3ccccc3)C[C@@H]2C1 ZINC001049201105 812086258 /nfs/dbraw/zinc/08/62/58/812086258.db2.gz CROFQEPYKUPOQF-RYQLBKOJSA-N 0 3 296.414 2.204 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](C)c3ccccc3C)C[C@@H]2C1 ZINC001049228515 812088844 /nfs/dbraw/zinc/08/88/44/812088844.db2.gz FZJFNYLQBKJCQH-ZACQAIPSSA-N 0 3 296.414 2.122 20 30 CEEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C=C(C)C ZINC001049305305 812112941 /nfs/dbraw/zinc/11/29/41/812112941.db2.gz XJIGAPNUAYWWLI-GJZGRUSLSA-N 0 3 260.381 2.041 20 30 CEEDHN N#Cc1cccc(CNCCNC(=O)C[C@@H]2C=CCC2)c1 ZINC001123323424 815503737 /nfs/dbraw/zinc/50/37/37/815503737.db2.gz PWLFOSKLLKMJKG-CQSZACIVSA-N 0 3 283.375 2.120 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(F)(F)F ZINC001049360977 812128483 /nfs/dbraw/zinc/12/84/83/812128483.db2.gz PTDAZEKPRLRSQB-NWDGAFQWSA-N 0 3 288.313 2.027 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cscn1 ZINC001049358318 812129015 /nfs/dbraw/zinc/12/90/15/812129015.db2.gz AJHRYZDUGPTTPT-CHWSQXEVSA-N 0 3 277.393 2.008 20 30 CEEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cscn1 ZINC001049372447 812132242 /nfs/dbraw/zinc/13/22/42/812132242.db2.gz LRGZTKFDPKSVIC-ZIAGYGMSSA-N 0 3 291.420 2.398 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC=CC1 ZINC001049385957 812135538 /nfs/dbraw/zinc/13/55/38/812135538.db2.gz BYRKRHKNLOIMED-JKSUJKDBSA-N 0 3 272.392 2.041 20 30 CEEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccccn1 ZINC001123337919 815505195 /nfs/dbraw/zinc/50/51/95/815505195.db2.gz VXJGOXGLBJYCFU-CYBMUJFWSA-N 0 3 268.320 2.107 20 30 CEEDHN C=CCCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccns1 ZINC001049506267 812158718 /nfs/dbraw/zinc/15/87/18/812158718.db2.gz VZGIGDMQBHGTQN-STQMWFEESA-N 0 3 291.420 2.398 20 30 CEEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1C=CCCC1 ZINC001049549809 812166874 /nfs/dbraw/zinc/16/68/74/812166874.db2.gz JSJUSBJTHOVHAL-GVDBMIGSSA-N 0 3 286.419 2.431 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC1(C)CC1 ZINC001049602605 812172109 /nfs/dbraw/zinc/17/21/09/812172109.db2.gz NOHNDLYYKJAZBZ-HUUCEWRRSA-N 0 3 274.408 2.265 20 30 CEEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn(C)c1C ZINC001049704476 812194641 /nfs/dbraw/zinc/19/46/41/812194641.db2.gz PXDGNQCESRAFFP-SJORKVTESA-N 0 3 299.418 2.036 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(CC)CC1 ZINC001049705159 812194945 /nfs/dbraw/zinc/19/49/45/812194945.db2.gz SEBXJLPYEQMZNX-ZIAGYGMSSA-N 0 3 262.397 2.428 20 30 CEEDHN N#Cc1cccc(CNCCNC(=O)[C@H]2CC=CCC2)c1 ZINC001123381652 815513241 /nfs/dbraw/zinc/51/32/41/815513241.db2.gz NVFQVISGEUDGBQ-INIZCTEOSA-N 0 3 283.375 2.120 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3ccoc3)[C@@H]2C1 ZINC001049970252 812245091 /nfs/dbraw/zinc/24/50/91/812245091.db2.gz YXFDSEVWGGBLBE-GXTWGEPZSA-N 0 3 260.337 2.002 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)[C@@H](C)SC)[C@@H]2C1 ZINC001049978557 812247045 /nfs/dbraw/zinc/24/70/45/812247045.db2.gz CFAIVWPNELTFDE-HZSPNIEDSA-N 0 3 282.453 2.237 20 30 CEEDHN Cc1cc(C(=O)NCCNCc2ccc(C#N)cc2)c(C)o1 ZINC001123396472 815514931 /nfs/dbraw/zinc/51/49/31/815514931.db2.gz JNQNQDUASBVVHX-UHFFFAOYSA-N 0 3 297.358 2.288 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCOCC1)C2 ZINC001096898019 812292356 /nfs/dbraw/zinc/29/23/56/812292356.db2.gz XWRWRDCPPQPXSZ-OAGGEKHMSA-N 0 3 292.423 2.101 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CC12CCCC2 ZINC001170234359 812349160 /nfs/dbraw/zinc/34/91/60/812349160.db2.gz UMJBPRWEXGKYOP-LBPRGKRZSA-N 0 3 270.804 2.415 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001097683941 812400467 /nfs/dbraw/zinc/40/04/67/812400467.db2.gz PWWZEMLHPXZHEM-JOWFITRBSA-N 0 3 274.408 2.330 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ocnc1CC)C2 ZINC001097808088 812437805 /nfs/dbraw/zinc/43/78/05/812437805.db2.gz RJDXLCWJOSNDIC-BNOWGMLFSA-N 0 3 289.379 2.148 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)CC1 ZINC001052703215 812450500 /nfs/dbraw/zinc/45/05/00/812450500.db2.gz RJNZKGWTBHYYKZ-KBPBESRZSA-N 0 3 298.377 2.416 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC001052774307 812459075 /nfs/dbraw/zinc/45/90/75/812459075.db2.gz XRZAURAHOYXGCU-GJZGRUSLSA-N 0 3 288.391 2.295 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)c2cc3c([nH]2)CCC3)CC1 ZINC001052859477 812468347 /nfs/dbraw/zinc/46/83/47/812468347.db2.gz MIRHERYSBJATML-HNNXBMFYSA-N 0 3 299.418 2.111 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2c(F)cccc2F)CC1 ZINC001052893284 812474756 /nfs/dbraw/zinc/47/47/56/812474756.db2.gz VVXFYJLLLTWLGB-GFCCVEGCSA-N 0 3 292.329 2.182 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@H]2CC3CCC2CC3)CC1 ZINC001052957844 812480364 /nfs/dbraw/zinc/48/03/64/812480364.db2.gz JMPYDDXSXPGTGJ-GQGLESIBSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001053060499 812487071 /nfs/dbraw/zinc/48/70/71/812487071.db2.gz ADTMMDUQPNZUSM-GJZGRUSLSA-N 0 3 294.414 2.461 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)C(C)(F)F)C1 ZINC001053063669 812487337 /nfs/dbraw/zinc/48/73/37/812487337.db2.gz PWAVWGBBYHNGNZ-KGLIPLIRSA-N 0 3 298.377 2.368 20 30 CEEDHN C=CCN(c1cc2c(nn1)CCNC2)C1CCCCC1 ZINC001157850610 812489841 /nfs/dbraw/zinc/48/98/41/812489841.db2.gz NVZBXJIKHUOENH-UHFFFAOYSA-N 0 3 272.396 2.447 20 30 CEEDHN C#C[C@](C)(CC)NC[C@@](O)(CCCCCC)C(=O)OC ZINC001170450658 812496474 /nfs/dbraw/zinc/49/64/74/812496474.db2.gz CZTXJKMYUYWYMT-CVEARBPZSA-N 0 3 283.412 2.252 20 30 CEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C=C(C)C)C2 ZINC001054078473 812530984 /nfs/dbraw/zinc/53/09/84/812530984.db2.gz OEVGFJFJBXXXAX-QGZVFWFLSA-N 0 3 274.408 2.290 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc(C)o1)C2 ZINC001054080146 812531598 /nfs/dbraw/zinc/53/15/98/812531598.db2.gz TWYNRPCZEGLZCL-KRWDZBQOSA-N 0 3 286.375 2.149 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)SC)C2 ZINC001054117802 812540908 /nfs/dbraw/zinc/54/09/08/812540908.db2.gz WFGQGISUUDWGTP-HOCLYGCPSA-N 0 3 294.464 2.076 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C1(C3CC3)CC1)C2 ZINC001054150910 812544808 /nfs/dbraw/zinc/54/48/08/812544808.db2.gz WBEFMMIRRRYFBV-QGZVFWFLSA-N 0 3 286.419 2.124 20 30 CEEDHN N#Cc1cccc(CNCCNC(=O)C23CCC(CC2)C3)c1 ZINC001130292077 812554317 /nfs/dbraw/zinc/55/43/17/812554317.db2.gz YTESYLHYDMNPJU-UHFFFAOYSA-N 0 3 297.402 2.344 20 30 CEEDHN N#C[C@H]1CC[C@@H](N2CCC(c3ncccn3)CC2)C1 ZINC001254667551 812567495 /nfs/dbraw/zinc/56/74/95/812567495.db2.gz CUXLIHHTRNGUMB-GXTWGEPZSA-N 0 3 256.353 2.348 20 30 CEEDHN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccccc2O)C[C@@H]1C ZINC001054404042 812609016 /nfs/dbraw/zinc/60/90/16/812609016.db2.gz FARLBRQYEZCEAW-GXFFZTMASA-N 0 3 294.782 2.195 20 30 CEEDHN CC#CCNCCNC(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001131160586 812644514 /nfs/dbraw/zinc/64/45/14/812644514.db2.gz VPTMDTMGXAJUPC-SJORKVTESA-N 0 3 284.403 2.299 20 30 CEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCCC)C[C@@H](C)O2 ZINC001131629960 812697295 /nfs/dbraw/zinc/69/72/95/812697295.db2.gz ZWWVBOXBCVFGCY-WBVHZDCISA-N 0 3 294.439 2.445 20 30 CEEDHN CC[C@@H](CC#N)N[C@H]1C2CCC(CC2)[C@@H]1C(=O)OC ZINC001255165126 812725448 /nfs/dbraw/zinc/72/54/48/812725448.db2.gz UMIRRUMPUQBGGG-TYCJUYHCSA-N 0 3 264.369 2.246 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)CCSC)CC[C@@H]1C ZINC001131781331 812728604 /nfs/dbraw/zinc/72/86/04/812728604.db2.gz XXVLSQNCQLJNDT-STQMWFEESA-N 0 3 270.442 2.285 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CCc2ccco2)CC[C@H]1C ZINC001131780108 812728762 /nfs/dbraw/zinc/72/87/62/812728762.db2.gz MWCIPPXVGJFOAW-ZIAGYGMSSA-N 0 3 276.380 2.367 20 30 CEEDHN C=CCOCCN1C[C@@H](NC(=O)CCCC)CC[C@@H]1C ZINC001131856800 812744932 /nfs/dbraw/zinc/74/49/32/812744932.db2.gz REMMFBFTUGCQAK-GJZGRUSLSA-N 0 3 282.428 2.348 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)CSCCC)CC[C@@H]1C ZINC001131902906 812750162 /nfs/dbraw/zinc/75/01/62/812750162.db2.gz APENXAVMILSWER-UONOGXRCSA-N 0 3 282.453 2.122 20 30 CEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)C3CC(C)(C)C3)[C@@H]2C1 ZINC001050036466 812774917 /nfs/dbraw/zinc/77/49/17/812774917.db2.gz AWRUIWLGZGSRIF-GOEBONIOSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)CC2(C)CC2)CC[C@H]1C ZINC001132191158 812798693 /nfs/dbraw/zinc/79/86/93/812798693.db2.gz QZSPZRKAWMGCLX-OLZOCXBDSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CCOC)C2)CCC1 ZINC001132282494 812814853 /nfs/dbraw/zinc/81/48/53/812814853.db2.gz KITLSQHYTDPENZ-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@H]3C[C@@]3(C)C(C)C)C2)CC1 ZINC001050715537 812852778 /nfs/dbraw/zinc/85/27/78/812852778.db2.gz QSRHMSVFKMLBGJ-WBVHZDCISA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@@H]3C[C@@]3(C)C(C)C)C2)CC1 ZINC001050715536 812853076 /nfs/dbraw/zinc/85/30/76/812853076.db2.gz QSRHMSVFKMLBGJ-RDJZCZTQSA-N 0 3 288.435 2.226 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CCc2cscn2)CC[C@@H]1C ZINC001132549437 812887289 /nfs/dbraw/zinc/88/72/89/812887289.db2.gz QUCASRVPBOLFHH-QWHCGFSZSA-N 0 3 293.436 2.231 20 30 CEEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1cccc(F)c1 ZINC001132568931 812892117 /nfs/dbraw/zinc/89/21/17/812892117.db2.gz HXVCJTFLAIFSQI-OLZOCXBDSA-N 0 3 278.371 2.490 20 30 CEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1ccsc1 ZINC001132574002 812897675 /nfs/dbraw/zinc/89/76/75/812897675.db2.gz UQNBOXJEQYNCCN-NWDGAFQWSA-N 0 3 266.410 2.412 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001132660955 812919773 /nfs/dbraw/zinc/91/97/73/812919773.db2.gz XXLDZPUBSLYURZ-AWEZNQCLSA-N 0 3 285.391 2.366 20 30 CEEDHN CCC(C)(C)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001133167655 813003583 /nfs/dbraw/zinc/00/35/83/813003583.db2.gz SAAFBADOFGVTRI-UHFFFAOYSA-N 0 3 291.370 2.339 20 30 CEEDHN C=CCCC1(C(=O)NCCNCc2scnc2C)CC1 ZINC001133375759 813035659 /nfs/dbraw/zinc/03/56/59/813035659.db2.gz ICBVXQJSNDFDGS-UHFFFAOYSA-N 0 3 293.436 2.404 20 30 CEEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)C(F)F ZINC001133438381 813067128 /nfs/dbraw/zinc/06/71/28/813067128.db2.gz SCCDBTDVUQAPTG-HTQZYQBOSA-N 0 3 299.159 2.033 20 30 CEEDHN C=C1CC(C)(C(=O)NCCNCc2cccc(C#N)c2)C1 ZINC001133570338 813109801 /nfs/dbraw/zinc/10/98/01/813109801.db2.gz WMMOLDZKKNDZPI-UHFFFAOYSA-N 0 3 283.375 2.120 20 30 CEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccns2)C1 ZINC001086709729 813121302 /nfs/dbraw/zinc/12/13/02/813121302.db2.gz RDTXUKCSMQDEDZ-WDEREUQCSA-N 0 3 299.827 2.384 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC)o1)C2 ZINC001098091579 813204203 /nfs/dbraw/zinc/20/42/03/813204203.db2.gz IDYIAFZWCWGRGG-UPJWGTAASA-N 0 3 290.363 2.199 20 30 CEEDHN CC#CCNCCNC(=O)C[C@H](C)CCC=C(C)C ZINC001134190222 813227762 /nfs/dbraw/zinc/22/77/62/813227762.db2.gz OYYWSMOQWVUMIR-OAHLLOKOSA-N 0 3 264.413 2.488 20 30 CEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCC)C[C@@H](C)O2 ZINC001071125195 813323710 /nfs/dbraw/zinc/32/37/10/813323710.db2.gz QIVOTAMMLPCGFC-ZBFHGGJFSA-N 0 3 280.412 2.054 20 30 CEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCC)C[C@H](C)O2 ZINC001071125194 813324149 /nfs/dbraw/zinc/32/41/49/813324149.db2.gz QIVOTAMMLPCGFC-HOCLYGCPSA-N 0 3 280.412 2.054 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc[nH]2)CC[C@@H]1C ZINC001071343413 813371186 /nfs/dbraw/zinc/37/11/86/813371186.db2.gz XXYNCPDXZQSIPL-STQMWFEESA-N 0 3 261.369 2.174 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2cnn(CC)c2)CC[C@@H]1C ZINC001071397248 813391296 /nfs/dbraw/zinc/39/12/96/813391296.db2.gz YETBFHHEHSIZBG-DZGCQCFKSA-N 0 3 290.411 2.062 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccoc2)CC[C@@H]1C ZINC001071450854 813410428 /nfs/dbraw/zinc/41/04/28/813410428.db2.gz KTXXQLGYGAEDHX-ZFWWWQNUSA-N 0 3 276.380 2.367 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cnc(C)o2)CC[C@@H]1C ZINC001071566496 813439817 /nfs/dbraw/zinc/43/98/17/813439817.db2.gz UATPZCPPRUYJFG-JSGCOSHPSA-N 0 3 291.395 2.071 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)c(C)cn2)CC[C@@H]1C ZINC001071701050 813466126 /nfs/dbraw/zinc/46/61/26/813466126.db2.gz BHJIMGKKUDDDLZ-JKSUJKDBSA-N 0 3 299.418 2.304 20 30 CEEDHN C=CCN1C[C@H](NC(=O)c2cccc3n[nH]cc32)CC[C@H]1C ZINC001071728371 813471802 /nfs/dbraw/zinc/47/18/02/813471802.db2.gz LSPVENCAVZAUGN-CHWSQXEVSA-N 0 3 298.390 2.332 20 30 CEEDHN C=CCCN1C[C@H](NC(=O)c2conc2C)CC[C@H]1C ZINC001071793356 813483963 /nfs/dbraw/zinc/48/39/63/813483963.db2.gz ZDZZAXGUHIQWTK-DGCLKSJQSA-N 0 3 277.368 2.142 20 30 CEEDHN C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)N(CCOC)C2)CC1 ZINC001071795016 813484546 /nfs/dbraw/zinc/48/45/46/813484546.db2.gz HNSDWNUSKBFZEY-GOEBONIOSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)Cc2csc(C)n2)CC[C@@H]1C ZINC001072054191 813538387 /nfs/dbraw/zinc/53/83/87/813538387.db2.gz ZDIJHAAMBMOJBM-AAEUAGOBSA-N 0 3 293.436 2.149 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3sccc3F)C2)C1 ZINC001072686972 813635947 /nfs/dbraw/zinc/63/59/47/813635947.db2.gz CPALTOMVQPYGKH-UHFFFAOYSA-N 0 3 280.368 2.221 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)CC(C)(C)C3CC3)C2)C1 ZINC001072708077 813641671 /nfs/dbraw/zinc/64/16/71/813641671.db2.gz GNCLFUUPNUPXEN-UHFFFAOYSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CCCC34CC4)C2)C1 ZINC001072848757 813673535 /nfs/dbraw/zinc/67/35/35/813673535.db2.gz JRGUAAAMPFJCGG-OAHLLOKOSA-N 0 3 286.419 2.124 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4C[C@H]43)C2)C1 ZINC001072874681 813677980 /nfs/dbraw/zinc/67/79/80/813677980.db2.gz CXZSMAWWDMNYFR-RRFJBIMHSA-N 0 3 274.408 2.143 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)Cc3cccc(C)c3)C2)C1 ZINC001072936278 813694114 /nfs/dbraw/zinc/69/41/14/813694114.db2.gz YAKUSQUSBSXIJN-UHFFFAOYSA-N 0 3 296.414 2.095 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CC[C@H](C)C3)C2)C1 ZINC001073031829 813715402 /nfs/dbraw/zinc/71/54/02/813715402.db2.gz RNGQJSRLHRLYKC-KBPBESRZSA-N 0 3 262.397 2.143 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)CCc3ccccc3)C2)C1 ZINC001073146423 813732603 /nfs/dbraw/zinc/73/26/03/813732603.db2.gz QIUXZNWQKVYWTR-UHFFFAOYSA-N 0 3 284.403 2.340 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001073533230 813760348 /nfs/dbraw/zinc/76/03/48/813760348.db2.gz ASPCOOZWCHLBKJ-JKSUJKDBSA-N 0 3 292.423 2.126 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001073593691 813764466 /nfs/dbraw/zinc/76/44/66/813764466.db2.gz WHIJSQSBPMKZLX-OAHLLOKOSA-N 0 3 294.439 2.206 20 30 CEEDHN O=C1C=C2CN(Cc3cn4ccccc4n3)CCC2S1 ZINC001136876711 813780117 /nfs/dbraw/zinc/78/01/17/813780117.db2.gz GPGLZLLLKNHLHZ-ZDUSSCGKSA-N 0 3 285.372 2.108 20 30 CEEDHN Cc1ccn2c(CN3CCC4SC(=O)C=C4C3)cnc2c1 ZINC001136886736 813788355 /nfs/dbraw/zinc/78/83/55/813788355.db2.gz VXAVBZUZNUACSY-CQSZACIVSA-N 0 3 299.399 2.417 20 30 CEEDHN CC(=O)N1CC[C@@H](CNCc2ccccc2C#N)[C@@H](C)C1 ZINC001075173256 813883753 /nfs/dbraw/zinc/88/37/53/813883753.db2.gz ZELVNFXESNMYEJ-BBRMVZONSA-N 0 3 285.391 2.152 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)n(C)c1C)C2 ZINC001098357674 813919642 /nfs/dbraw/zinc/91/96/42/813919642.db2.gz GOOPLCFPOYPYLS-OIISXLGYSA-N 0 3 299.418 2.000 20 30 CEEDHN COC[C@@]12CCC[C@@H]1CN(Cc1cncc(C#N)c1)C2 ZINC001144080719 813951472 /nfs/dbraw/zinc/95/14/72/813951472.db2.gz WQNYIMHLCCGMSZ-CVEARBPZSA-N 0 3 271.364 2.202 20 30 CEEDHN COCC[C@@H]1CCCCN1Cc1cncc(C#N)c1 ZINC001144079763 813951774 /nfs/dbraw/zinc/95/17/74/813951774.db2.gz HDPKQDFEVJHFTC-HNNXBMFYSA-N 0 3 259.353 2.344 20 30 CEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001098984413 813971363 /nfs/dbraw/zinc/97/13/63/813971363.db2.gz WMXLNENVIANVHG-ZIAGYGMSSA-N 0 3 277.412 2.329 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2nc(C)oc2C)C1 ZINC001099092800 813988017 /nfs/dbraw/zinc/98/80/17/813988017.db2.gz MIIIGDCGHAGZLZ-BBRMVZONSA-N 0 3 289.379 2.062 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@H](C)C(C)C)C1 ZINC001149374665 814051597 /nfs/dbraw/zinc/05/15/97/814051597.db2.gz GKCUQHZEJNBZEF-HOTGVXAUSA-N 0 3 296.455 2.452 20 30 CEEDHN C=CC1(CC(=O)N[C@@H]2CCN(CC)C[C@H]2O)CCCCC1 ZINC001100035096 814056207 /nfs/dbraw/zinc/05/62/07/814056207.db2.gz XKTOSKWQERULSE-HUUCEWRRSA-N 0 3 294.439 2.084 20 30 CEEDHN CCCCCCCCC(=O)N[C@H]1CCN(CC)C[C@@H]1O ZINC001100084974 814061259 /nfs/dbraw/zinc/06/12/59/814061259.db2.gz DQHILDGOISBTLH-GJZGRUSLSA-N 0 3 284.444 2.308 20 30 CEEDHN Cc1cc(CN)nn1[C@H](C)Cc1cccc(C#N)c1 ZINC001171178623 814062366 /nfs/dbraw/zinc/06/23/66/814062366.db2.gz IINRBYXKMNCTED-LLVKDONJSA-N 0 3 254.337 2.326 20 30 CEEDHN C#Cc1ccc(CN2CCN(CCCCOC)CC2)cc1 ZINC001144581356 814114087 /nfs/dbraw/zinc/11/40/87/814114087.db2.gz QYDRPNACXFWQKC-UHFFFAOYSA-N 0 3 286.419 2.212 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@H](CC(=O)OC)C2)cc1 ZINC001144578761 814115450 /nfs/dbraw/zinc/11/54/50/814115450.db2.gz NKTMISHXUYDSFF-MRXNPFEDSA-N 0 3 271.360 2.443 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)C2(CCF)CC2)C1 ZINC001100530988 814141032 /nfs/dbraw/zinc/14/10/32/814141032.db2.gz VFUHQKLNYONACO-UHFFFAOYSA-N 0 3 288.794 2.363 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)CCC)C[C@]2(C)C1 ZINC001101177789 814229874 /nfs/dbraw/zinc/22/98/74/814229874.db2.gz JGDBXQDPFXJWOM-UXLLHSPISA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCCCCCC(=O)NC[C@@H]1CN(CCF)C[C@H]1C ZINC001102228839 814368851 /nfs/dbraw/zinc/36/88/51/814368851.db2.gz MLYSVCIBCXDVMP-HUUCEWRRSA-N 0 3 282.403 2.224 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@@H](C)C(C)C)C2)C1 ZINC001147246637 814405482 /nfs/dbraw/zinc/40/54/82/814405482.db2.gz YDBCCISIYMRARH-CQSZACIVSA-N 0 3 264.413 2.389 20 30 CEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CSC)C1 ZINC001102651551 814407238 /nfs/dbraw/zinc/40/72/38/814407238.db2.gz NETDXIQPDYGJDZ-ZYHUDNBSSA-N 0 3 290.860 2.176 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(C)(C)C ZINC001114937842 814421775 /nfs/dbraw/zinc/42/17/75/814421775.db2.gz UHENHWCQRWKZPM-IGQOVBAYSA-N 0 3 264.413 2.291 20 30 CEEDHN CC#CCNCCNC(=O)C[C@H](CC)C(C)(C)C ZINC001147506128 814455685 /nfs/dbraw/zinc/45/56/85/814455685.db2.gz KNEOYHSCMFDSHJ-ZDUSSCGKSA-N 0 3 252.402 2.178 20 30 CEEDHN CC#CCNCCNC(=O)[C@H](F)CCCCCC ZINC001147803142 814501397 /nfs/dbraw/zinc/50/13/97/814501397.db2.gz AWIYIELFCZTAPL-CYBMUJFWSA-N 0 3 256.365 2.024 20 30 CEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1C ZINC001103817636 814526029 /nfs/dbraw/zinc/52/60/29/814526029.db2.gz VFMURWJNUJGGRY-MWLCHTKSSA-N 0 3 294.773 2.468 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CC)C1 ZINC001111604521 814588867 /nfs/dbraw/zinc/58/88/67/814588867.db2.gz YCKGGWQQOFTFFT-DZKIICNBSA-N 0 3 262.397 2.027 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)CSC(C)C)C1 ZINC001111604461 814589283 /nfs/dbraw/zinc/58/92/83/814589283.db2.gz WAGRCEHVBIKUSP-ZFWWWQNUSA-N 0 3 282.453 2.285 20 30 CEEDHN Cc1coc(NC(=O)c2ccc(NC(=N)N)cc2)c1C#N ZINC001148643857 814593555 /nfs/dbraw/zinc/59/35/55/814593555.db2.gz TUHZOSMLKMCELF-UHFFFAOYSA-N 0 3 283.291 2.017 20 30 CEEDHN N#CCC1CCN(C[C@H](O)c2ccccc2F)CC1 ZINC000782086483 814617422 /nfs/dbraw/zinc/61/74/22/814617422.db2.gz BAEDDXTYCLJFRJ-HNNXBMFYSA-N 0 3 262.328 2.485 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1ccccc1 ZINC001115272916 814689870 /nfs/dbraw/zinc/68/98/70/814689870.db2.gz AWDIPSGXYWMECQ-SIXLDLHFSA-N 0 3 284.403 2.098 20 30 CEEDHN CS[C@@H]1CC[C@@H](N(C)CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC001116150561 814837863 /nfs/dbraw/zinc/83/78/63/814837863.db2.gz RBMSWYZUZBNWQV-NFAWXSAZSA-N 0 3 295.452 2.011 20 30 CEEDHN C#CCN(C[C@@H](O)c1ccc(F)c(F)c1)CC1CC1 ZINC001116369793 814848468 /nfs/dbraw/zinc/84/84/68/814848468.db2.gz VHNRAENHMUIIEP-OAHLLOKOSA-N 0 3 265.303 2.343 20 30 CEEDHN CC/C=C(\C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001124343714 815611284 /nfs/dbraw/zinc/61/12/84/815611284.db2.gz FUGICQGQRLPXHE-WLRTZDKTSA-N 0 3 271.364 2.120 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1)C2 ZINC001095121482 815701647 /nfs/dbraw/zinc/70/16/47/815701647.db2.gz REIFFCRSBKAIKM-PMPSAXMXSA-N 0 3 268.360 2.045 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)c[nH]1)C2 ZINC001095173756 815734049 /nfs/dbraw/zinc/73/40/49/815734049.db2.gz WVPGTZPDEAOTJG-DYEKYZERSA-N 0 3 291.782 2.027 20 30 CEEDHN COC(=O)CCCC[C@H](C)N1CC[C@](C)(C#N)C1 ZINC001173459498 815738828 /nfs/dbraw/zinc/73/88/28/815738828.db2.gz MVWXZGDMYSHKPR-GXTWGEPZSA-N 0 3 252.358 2.344 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CCC[C@H](CO)C2)c1[O-] ZINC001138623836 815846003 /nfs/dbraw/zinc/84/60/03/815846003.db2.gz JAICEMXMBYYIRD-ZDUSSCGKSA-N 0 3 261.365 2.325 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H](CO)C2)c1[O-] ZINC001138623836 815846012 /nfs/dbraw/zinc/84/60/12/815846012.db2.gz JAICEMXMBYYIRD-ZDUSSCGKSA-N 0 3 261.365 2.325 20 30 CEEDHN C#Cc1cc(Nc2ccccc2CN(C)C)ccn1 ZINC001173927676 815861357 /nfs/dbraw/zinc/86/13/57/815861357.db2.gz MUWGOXBFQXQDLL-UHFFFAOYSA-N 0 3 251.333 2.290 20 30 CEEDHN COC(=O)c1cc(C#N)ccc1Nc1ccncc1C ZINC001174539263 816024784 /nfs/dbraw/zinc/02/47/84/816024784.db2.gz ABGACYQTPJJYQI-UHFFFAOYSA-N 0 3 267.288 2.214 20 30 CEEDHN COc1cc(C#N)c(Nc2ccncc2C)cc1OC ZINC001174537890 816025511 /nfs/dbraw/zinc/02/55/11/816025511.db2.gz TXYLOSBRLAPKQS-UHFFFAOYSA-N 0 3 269.304 2.444 20 30 CEEDHN CC(=O)N(C)[C@@H]1CCN(Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139707358 816090975 /nfs/dbraw/zinc/09/09/75/816090975.db2.gz XOMIAWJMGBHYAN-OAHLLOKOSA-N 0 3 296.374 2.092 20 30 CEEDHN COC[C@@H]1CCN1Cc1c[nH]c2c1cccc2C#N ZINC001139707698 816091061 /nfs/dbraw/zinc/09/10/61/816091061.db2.gz PFEUBOYIKMIKLC-ZDUSSCGKSA-N 0 3 255.321 2.260 20 30 CEEDHN C=CCn1cc(CN2CCC3(C[C@@H]3CCO)CC2)cn1 ZINC001139767977 816110545 /nfs/dbraw/zinc/11/05/45/816110545.db2.gz HAHLELHWGIDEJO-HNNXBMFYSA-N 0 3 275.396 2.054 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(F)cc1F ZINC001175065218 816125515 /nfs/dbraw/zinc/12/55/15/816125515.db2.gz RGQODMUTYIDZCF-UHFFFAOYSA-N 0 3 288.725 2.427 20 30 CEEDHN COC(=O)C[C@H]1CCN(Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140117827 816194038 /nfs/dbraw/zinc/19/40/38/816194038.db2.gz ZGWOYKRKLNUTQM-CYBMUJFWSA-N 0 3 297.358 2.425 20 30 CEEDHN C=CCN1CCN(Cc2[nH]nc3ccc(C)cc32)CC1 ZINC001140330817 816234043 /nfs/dbraw/zinc/23/40/43/816234043.db2.gz LOAAQCWYUQYYCM-UHFFFAOYSA-N 0 3 270.380 2.175 20 30 CEEDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc(F)c(C#N)c(F)c1 ZINC001140752997 816345322 /nfs/dbraw/zinc/34/53/22/816345322.db2.gz TWOFHNAVRZIKED-WDEREUQCSA-N 0 3 279.334 2.361 20 30 CEEDHN N#Cc1cc(F)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001141163471 816493127 /nfs/dbraw/zinc/49/31/27/816493127.db2.gz GALRFIPGWLWUAD-CQSZACIVSA-N 0 3 288.347 2.471 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](C)C1CC1 ZINC001177048419 816514271 /nfs/dbraw/zinc/51/42/71/816514271.db2.gz YZWDQTATMRHOBO-SNVBAGLBSA-N 0 3 258.793 2.271 20 30 CEEDHN CN(C)C1CN(Cc2cc(Br)ccc2C#N)C1 ZINC001141893983 816597111 /nfs/dbraw/zinc/59/71/11/816597111.db2.gz DODBNYINRZJTHN-UHFFFAOYSA-N 0 3 294.196 2.067 20 30 CEEDHN CSc1nc(CN(CCCO)C(C)C)ccc1C#N ZINC001141938657 816600021 /nfs/dbraw/zinc/60/00/21/816600021.db2.gz GGAACZWHSOAZNC-UHFFFAOYSA-N 0 3 279.409 2.268 20 30 CEEDHN N#Cc1cccc(NC(=O)C(C#N)Cc2cccs2)n1 ZINC001177903053 816639257 /nfs/dbraw/zinc/63/92/57/816639257.db2.gz DOSRODRPOIXJDL-SNVBAGLBSA-N 0 3 282.328 2.336 20 30 CEEDHN Cc1ncn(C)c1NC(=O)C(C#N)Cc1cccs1 ZINC001177904912 816640495 /nfs/dbraw/zinc/64/04/95/816640495.db2.gz UDODWLHGDWOFAF-JTQLQIEISA-N 0 3 274.349 2.111 20 30 CEEDHN Cc1cnc(C)c(NC(=O)C(C#N)Cc2cccs2)n1 ZINC001177904721 816640729 /nfs/dbraw/zinc/64/07/29/816640729.db2.gz OVEUGHUSBHQXKQ-LLVKDONJSA-N 0 3 286.360 2.476 20 30 CEEDHN SC1CCN(Cc2scc3c2OCCO3)CC1 ZINC001143192861 816804646 /nfs/dbraw/zinc/80/46/46/816804646.db2.gz SULHAJWCFNSAPC-UHFFFAOYSA-N 0 3 271.407 2.414 20 30 CEEDHN CC#CCCCC(=O)N1CC[C@H](NCc2cccnc2)[C@@H]1C ZINC001179360336 816856564 /nfs/dbraw/zinc/85/65/64/816856564.db2.gz SBIYRIRMSNACDB-RDJZCZTQSA-N 0 3 299.418 2.354 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000079267598 343976847 /nfs/dbraw/zinc/97/68/47/343976847.db2.gz IVQYNEILOWVNHM-CABCVRRESA-N 0 3 279.428 2.490 20 30 CEEDHN C=CCOc1ccccc1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000621150510 349511201 /nfs/dbraw/zinc/51/12/01/349511201.db2.gz GQEGVMNLOSRWSV-HNNXBMFYSA-N 0 3 288.391 2.321 20 30 CEEDHN C[C@@H]1CN(C)CCN1CC#Cc1ccc(Cl)cc1 ZINC000336418374 365573783 /nfs/dbraw/zinc/57/37/83/365573783.db2.gz ISFGIMKAZWJBNV-CYBMUJFWSA-N 0 3 262.784 2.327 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000336491654 365584410 /nfs/dbraw/zinc/58/44/10/365584410.db2.gz MFGGCKAHARGMIU-LRDDRELGSA-N 0 3 270.332 2.142 20 30 CEEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)Cc1cccnc1 ZINC000124763310 187152607 /nfs/dbraw/zinc/15/26/07/187152607.db2.gz VXUKWQFYCUGERG-UHFFFAOYSA-N 0 3 294.358 2.414 20 30 CEEDHN C=CC[C@@H](CO)CNCc1ccnn1CCc1ccccc1 ZINC000621343716 349569339 /nfs/dbraw/zinc/56/93/39/349569339.db2.gz OPTYCIQHBVNLFN-QGZVFWFLSA-N 0 3 299.418 2.400 20 30 CEEDHN C=CCC[C@H](O)CN(CCOC)Cc1ccccc1 ZINC000036096804 361827787 /nfs/dbraw/zinc/82/77/87/361827787.db2.gz KEVZUDHBVPRYNJ-INIZCTEOSA-N 0 3 263.381 2.462 20 30 CEEDHN CC[C@@H](C)[C@@H]1CCCCN1CC(=O)NC1(C#N)CCC1 ZINC000347060582 529406446 /nfs/dbraw/zinc/40/64/46/529406446.db2.gz SQWLCJILSRYXGJ-KGLIPLIRSA-N 0 3 277.412 2.449 20 30 CEEDHN CCC(CC)N(CC)CC(=O)NC1(C#N)CCC1 ZINC000344015948 282180236 /nfs/dbraw/zinc/18/02/36/282180236.db2.gz DIBLWWHYCXXXJH-UHFFFAOYSA-N 0 3 251.374 2.059 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@@H](Cn2ccnn2)C1 ZINC000668451568 539177612 /nfs/dbraw/zinc/17/76/12/539177612.db2.gz SYTXFUGYUYCZLK-OAHLLOKOSA-N 0 3 298.390 2.365 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(OCC)cc1 ZINC000078347452 539168210 /nfs/dbraw/zinc/16/82/10/539168210.db2.gz LRXKEWGFWDEVGU-STQMWFEESA-N 0 3 276.380 2.427 20 30 CEEDHN CCN1CCC[C@H]1CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000125842260 187202203 /nfs/dbraw/zinc/20/22/03/187202203.db2.gz YLCRZZNNPZSNQP-LBPRGKRZSA-N 0 3 274.324 2.363 20 30 CEEDHN N#Cc1cccc(N[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000125892651 187204141 /nfs/dbraw/zinc/20/41/41/187204141.db2.gz SKAQBMZCEOOKJX-LLVKDONJSA-N 0 3 272.308 2.115 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(CC)CC(=C)C ZINC000125946888 365692248 /nfs/dbraw/zinc/69/22/48/365692248.db2.gz RNKGDCLXWOSZTE-CQSZACIVSA-N 0 3 250.386 2.474 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H](C)C(C)(C)C)CC1 ZINC000171944128 539199623 /nfs/dbraw/zinc/19/96/23/539199623.db2.gz QUTUBHWEUVWPPO-GFCCVEGCSA-N 0 3 267.417 2.371 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CCCCO1 ZINC000329508367 539240840 /nfs/dbraw/zinc/24/08/40/539240840.db2.gz XBWSXCYTHJWVDU-RBSFLKMASA-N 0 3 297.443 2.322 20 30 CEEDHN N#Cc1nnc2ccccc2c1NCCN1CCCCC1 ZINC000041532016 362039887 /nfs/dbraw/zinc/03/98/87/362039887.db2.gz NXBLJGOBFUVJPQ-UHFFFAOYSA-N 0 3 281.363 2.399 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)NC1CCN(C)CC1 ZINC000043180084 362138680 /nfs/dbraw/zinc/13/86/80/362138680.db2.gz ZDFYUTFJXFHFAB-UHFFFAOYSA-N 0 3 287.407 2.478 20 30 CEEDHN N#CC(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000046439629 362182404 /nfs/dbraw/zinc/18/24/04/362182404.db2.gz UJYCMHHZQDQZFU-LBPRGKRZSA-N 0 3 267.244 2.480 20 30 CEEDHN CC(C)[C@H](C)N(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000030970075 343406206 /nfs/dbraw/zinc/40/62/06/343406206.db2.gz AMTODXGWBGIZGB-JSGCOSHPSA-N 0 3 253.390 2.017 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2cccc([N+](=O)[O-])c2)nc(C)n1 ZINC000041574399 343441472 /nfs/dbraw/zinc/44/14/72/343441472.db2.gz PXUYCGWHBFDHDL-CYBMUJFWSA-N 0 3 296.286 2.492 20 30 CEEDHN CC(C)NCC(=O)Nc1ncc(Br)s1 ZINC000037477240 343428043 /nfs/dbraw/zinc/42/80/43/343428043.db2.gz QNEZXFQOEJFYJB-UHFFFAOYSA-N 0 3 278.175 2.492 20 30 CEEDHN N#Cc1ccc(N2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)nc1 ZINC000139096744 136392742 /nfs/dbraw/zinc/39/27/42/136392742.db2.gz IVVHKKHEBWHSJD-HYVNUMGLSA-N 0 3 294.402 2.287 20 30 CEEDHN Cc1ncc([C@@H](C)NC[C@H](O)CC2(C#N)CC2)s1 ZINC000601969385 346946037 /nfs/dbraw/zinc/94/60/37/346946037.db2.gz QPHUPJVCYSHTCF-MWLCHTKSSA-N 0 3 265.382 2.157 20 30 CEEDHN CCCN(CC(=O)NC1(C#N)CCCCC1)CC1CC1 ZINC000052890945 343567224 /nfs/dbraw/zinc/56/72/24/343567224.db2.gz PSDGGKMIPJWRPH-UHFFFAOYSA-N 0 3 277.412 2.451 20 30 CEEDHN C=CCN(CC=C)CCCN1C(=O)c2ccccc2C1=O ZINC000052868743 343567854 /nfs/dbraw/zinc/56/78/54/343567854.db2.gz FFTWKMGTPVZUMI-UHFFFAOYSA-N 0 3 284.359 2.347 20 30 CEEDHN CC(C)C(=O)NCCCNC1CC(C#N)(c2ccccc2)C1 ZINC000128218468 365781108 /nfs/dbraw/zinc/78/11/08/365781108.db2.gz SACGNMCCIGBEDI-UHFFFAOYSA-N 0 3 299.418 2.362 20 30 CEEDHN CN(C)C[C@@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000057880480 343639797 /nfs/dbraw/zinc/63/97/97/343639797.db2.gz GYUWJSIHJMDHPG-AWEZNQCLSA-N 0 3 272.352 2.116 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C)CCc2ccco2)CC1 ZINC000057137169 343625345 /nfs/dbraw/zinc/62/53/45/343625345.db2.gz MZPWKUISCVTYTQ-CQSZACIVSA-N 0 3 288.391 2.062 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(OC)c(F)c2)CC1 ZINC000057174114 343625781 /nfs/dbraw/zinc/62/57/81/343625781.db2.gz CWXJUUVUKZAKNH-UHFFFAOYSA-N 0 3 290.338 2.118 20 30 CEEDHN C#CCN(C(=O)NC1CCN(C)CC1)C1CCCCC1 ZINC000062474642 343671466 /nfs/dbraw/zinc/67/14/66/343671466.db2.gz YCJYQMMEIJQRLH-UHFFFAOYSA-N 0 3 277.412 2.058 20 30 CEEDHN N#Cc1ccccc1OCCN(CCO)Cc1ccccc1 ZINC000064845210 343693992 /nfs/dbraw/zinc/69/39/92/343693992.db2.gz KTIJTYZBABOQPB-UHFFFAOYSA-N 0 3 296.370 2.432 20 30 CEEDHN N#CCN(C(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000065894608 343703442 /nfs/dbraw/zinc/70/34/42/343703442.db2.gz OCAFTWNATHFNRP-UHFFFAOYSA-N 0 3 283.375 2.411 20 30 CEEDHN CC(C)CN(C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000065961839 343705267 /nfs/dbraw/zinc/70/52/67/343705267.db2.gz PXPAOBVKGPZWPG-HNNXBMFYSA-N 0 3 271.364 2.251 20 30 CEEDHN CN(CC(=O)NC1CCCCCC1)C1(CO)CCOCC1 ZINC000330160935 529819547 /nfs/dbraw/zinc/81/95/47/529819547.db2.gz SNJAAGJURFXJOH-UHFFFAOYSA-N 0 3 298.427 2.139 20 30 CEEDHN CN(CCC#N)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000067509344 343737855 /nfs/dbraw/zinc/73/78/55/343737855.db2.gz ITZWXMLOYBFKGE-UHFFFAOYSA-N 0 3 271.364 2.268 20 30 CEEDHN C[C@H]1COCC[C@@H]1CNCc1cccc(F)c1C#N ZINC000602017752 346960764 /nfs/dbraw/zinc/96/07/64/346960764.db2.gz USCMPSSVOWVPFU-NWDGAFQWSA-N 0 3 262.328 2.460 20 30 CEEDHN N#Cc1cccnc1OC1CCC(NCc2ccon2)CC1 ZINC000602018521 346961561 /nfs/dbraw/zinc/96/15/61/346961561.db2.gz ZFAPRPUAMHVBSR-UHFFFAOYSA-N 0 3 298.346 2.421 20 30 CEEDHN C=CCOc1ccc(C(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000068487050 343766600 /nfs/dbraw/zinc/76/66/00/343766600.db2.gz GNUXNCMATSGNID-HNNXBMFYSA-N 0 3 288.391 2.418 20 30 CEEDHN CN(CC(=O)N1CCC[C@@](C)(C#N)C1)CC(C)(C)C ZINC000602137250 346981194 /nfs/dbraw/zinc/98/11/94/346981194.db2.gz WMIXLCYDEVHKEP-HNNXBMFYSA-N 0 3 265.401 2.117 20 30 CEEDHN CC(C)C[C@H](C#N)NC(=O)c1cccc(CN(C)C)c1 ZINC000073267154 343825562 /nfs/dbraw/zinc/82/55/62/343825562.db2.gz JBTKQODKPVUIRY-OAHLLOKOSA-N 0 3 273.380 2.416 20 30 CEEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000072702236 343809254 /nfs/dbraw/zinc/80/92/54/343809254.db2.gz DZRZAAJHUGDAOK-MRXNPFEDSA-N 0 3 288.391 2.390 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@H](C)[C@H](C)C1 ZINC000076111338 343880483 /nfs/dbraw/zinc/88/04/83/343880483.db2.gz NPYCWLJFFRMILF-MJBXVCDLSA-N 0 3 250.386 2.163 20 30 CEEDHN Cc1nnc(N2CCCN(C3CCCC3)CC2)c(C#N)c1C ZINC000077994877 343939073 /nfs/dbraw/zinc/93/90/73/343939073.db2.gz MTGUJVHASMRGAN-UHFFFAOYSA-N 0 3 299.422 2.420 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1sccc1C#N ZINC000128173547 187355787 /nfs/dbraw/zinc/35/57/87/187355787.db2.gz OIROHVWXWCKIGI-LBPRGKRZSA-N 0 3 279.409 2.326 20 30 CEEDHN C[C@H](C#N)CN(C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000079121374 343974051 /nfs/dbraw/zinc/97/40/51/343974051.db2.gz SFFMCOMSPAFNSP-UKRRQHHQSA-N 0 3 288.395 2.090 20 30 CEEDHN CC(C)N(CCC#N)C(=O)[C@@H](C)N1CCCCCC1 ZINC000081314017 344045949 /nfs/dbraw/zinc/04/59/49/344045949.db2.gz FMDNLHRZLSBZSQ-CQSZACIVSA-N 0 3 265.401 2.402 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(c2cnccn2)CC1 ZINC000091509498 344166424 /nfs/dbraw/zinc/16/64/24/344166424.db2.gz IOZLRAJNCNFIBK-CQSZACIVSA-N 0 3 260.385 2.343 20 30 CEEDHN CCCCN(C[C@@H](C)CCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000602432611 347030141 /nfs/dbraw/zinc/03/01/41/347030141.db2.gz IQKCBVNHJCMIHI-UONOGXRCSA-N 0 3 286.441 2.215 20 30 CEEDHN C[C@@H](CCC#N)CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000602433769 347031689 /nfs/dbraw/zinc/03/16/89/347031689.db2.gz CHEYSJPXJNZJDG-AWEZNQCLSA-N 0 3 283.379 2.015 20 30 CEEDHN N#Cc1cccc(CN2CCN(C3CCCCC3)CC2)n1 ZINC000602438954 347034003 /nfs/dbraw/zinc/03/40/03/347034003.db2.gz SUFOJNWVEVGYHZ-UHFFFAOYSA-N 0 3 284.407 2.404 20 30 CEEDHN C[C@@H](CCC#N)CN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000602451354 347038387 /nfs/dbraw/zinc/03/83/87/347038387.db2.gz GAVSRFZNBRFEFS-HOCLYGCPSA-N 0 3 285.391 2.489 20 30 CEEDHN C[C@H](CCC#N)CN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000602451350 347038655 /nfs/dbraw/zinc/03/86/55/347038655.db2.gz GAVSRFZNBRFEFS-GDBMZVCRSA-N 0 3 285.391 2.489 20 30 CEEDHN CN1CCC[C@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000127131530 344328278 /nfs/dbraw/zinc/32/82/78/344328278.db2.gz PBLAOXXCRLPSEH-LBPRGKRZSA-N 0 3 277.755 2.036 20 30 CEEDHN N#Cc1cccc(CNC2(CO)CCCCC2)c1F ZINC000225444411 344545889 /nfs/dbraw/zinc/54/58/89/344545889.db2.gz UHBHGJIYFVODDO-UHFFFAOYSA-N 0 3 262.328 2.482 20 30 CEEDHN CN1CCC[C@@H](CNc2nccc(C#N)c2Cl)C1 ZINC000234346535 344584425 /nfs/dbraw/zinc/58/44/25/344584425.db2.gz MATQZIADXFRVLE-JTQLQIEISA-N 0 3 264.760 2.360 20 30 CEEDHN COc1cc(CN2CCC[C@@H](CCO)C2)ccc1C#N ZINC000234974669 344588378 /nfs/dbraw/zinc/58/83/78/344588378.db2.gz KMWNUTYVBMRDOG-ZDUSSCGKSA-N 0 3 274.364 2.161 20 30 CEEDHN C[C@@H](N[C@@H](C)CC(=O)N(C)C)c1cccc(C#N)c1 ZINC000312089179 344737511 /nfs/dbraw/zinc/73/75/11/344737511.db2.gz YGRZVWBSBVALPT-NWDGAFQWSA-N 0 3 259.353 2.076 20 30 CEEDHN N#CCCOCCN1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000292658815 344688703 /nfs/dbraw/zinc/68/87/03/344688703.db2.gz AFJSQHRDSKANAK-KGLIPLIRSA-N 0 3 278.352 2.098 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCC[C@H]1CC=CCC1 ZINC000602543213 347071058 /nfs/dbraw/zinc/07/10/58/347071058.db2.gz AKNMNEIZQWRUGS-KBPBESRZSA-N 0 3 263.385 2.260 20 30 CEEDHN N#CC1(C(=O)Nc2ccc3c(c2)OCCNC3)CC2(CC2)C1 ZINC000602552388 347074106 /nfs/dbraw/zinc/07/41/06/347074106.db2.gz VEQOUIZOSGTMMK-UHFFFAOYSA-N 0 3 297.358 2.191 20 30 CEEDHN CC[C@H](C#N)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390817301 344837814 /nfs/dbraw/zinc/83/78/14/344837814.db2.gz NYRHFQMFEMMDIJ-CVEARBPZSA-N 0 3 285.391 2.317 20 30 CEEDHN C[C@@H]1CN(CC#N)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000404420666 344880392 /nfs/dbraw/zinc/88/03/92/344880392.db2.gz IMGNKHUSGHTTAY-KFWWJZLASA-N 0 3 257.381 2.493 20 30 CEEDHN C#C[C@@H](NC(=O)C[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000491339816 344911088 /nfs/dbraw/zinc/91/10/88/344911088.db2.gz SRZNXMFXIKRNAJ-CVEARBPZSA-N 0 3 272.392 2.453 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CCC[C@@H](C#N)NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000594259932 345606255 /nfs/dbraw/zinc/60/62/55/345606255.db2.gz OGTKDZIXEJMHCV-HOTGVXAUSA-N 0 3 285.391 2.317 20 30 CEEDHN CN(C)C[C@@H]1CCCCN1C(=O)CCCCC#N ZINC000594280037 345607760 /nfs/dbraw/zinc/60/77/60/345607760.db2.gz JITSNFRRVAEMQI-ZDUSSCGKSA-N 0 3 251.374 2.013 20 30 CEEDHN CS[C@H]1CN(C(=O)CCCCC#N)C[C@H]1N1CCCC1 ZINC000594340159 345614165 /nfs/dbraw/zinc/61/41/65/345614165.db2.gz ZRZLWPBAZATOQY-KGLIPLIRSA-N 0 3 295.452 2.109 20 30 CEEDHN CC(C)N1CCC[C@@H](NC(=O)CCCCC#N)C1 ZINC000594341549 345614180 /nfs/dbraw/zinc/61/41/80/345614180.db2.gz OXWIFDSJRHDMSB-CYBMUJFWSA-N 0 3 251.374 2.059 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000594426166 345625590 /nfs/dbraw/zinc/62/55/90/345625590.db2.gz PQDXVPZMNVPWIU-QWRGUYRKSA-N 0 3 291.317 2.199 20 30 CEEDHN CC[C@@H]1CCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594425742 345625950 /nfs/dbraw/zinc/62/59/50/345625950.db2.gz BOKLNWJDIKEXIK-CHWSQXEVSA-N 0 3 251.374 2.046 20 30 CEEDHN Cc1ccccc1CNC(=O)[C@@H](N)CCCCC#N ZINC000594425218 345626039 /nfs/dbraw/zinc/62/60/39/345626039.db2.gz GJWSWZBIEWIZGK-AWEZNQCLSA-N 0 3 259.353 2.023 20 30 CEEDHN COc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1F ZINC000594427045 345626611 /nfs/dbraw/zinc/62/66/11/345626611.db2.gz GBYPHEGMSKBVOC-LBPRGKRZSA-N 0 3 279.315 2.184 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000594426896 345626764 /nfs/dbraw/zinc/62/67/64/345626764.db2.gz HPOOTZMSNLQRFR-DLBZAZTESA-N 0 3 299.418 2.489 20 30 CEEDHN COc1c(F)cc(NC(=O)[C@H](N)CCCCC#N)cc1F ZINC000594428002 345627199 /nfs/dbraw/zinc/62/71/99/345627199.db2.gz KIWBSXJYCUYWBO-GFCCVEGCSA-N 0 3 297.305 2.323 20 30 CEEDHN CCCN(CC(F)(F)F)C(=O)[C@@H](N)CCCCC#N ZINC000594429346 345627872 /nfs/dbraw/zinc/62/78/72/345627872.db2.gz SXKLAGMPDHEULJ-JTQLQIEISA-N 0 3 279.306 2.199 20 30 CEEDHN CCCN(C[C@H]1CCCCO1)C(=O)[C@H](N)CCCCC#N ZINC000594432809 345628219 /nfs/dbraw/zinc/62/82/19/345628219.db2.gz BYRQHBQIZBPORG-HUUCEWRRSA-N 0 3 295.427 2.205 20 30 CEEDHN C[C@@H]1CN(C(=O)[C@@H](N)CCCCC#N)c2ccccc2O1 ZINC000594433126 345629271 /nfs/dbraw/zinc/62/92/71/345629271.db2.gz CBESNTWFKYXDIU-OLZOCXBDSA-N 0 3 287.363 2.212 20 30 CEEDHN CCC1(CNC(=O)[C@H](N)CCCCC#N)CCC1 ZINC000594434922 345630037 /nfs/dbraw/zinc/63/00/37/345630037.db2.gz WPJZCWHINLZRQM-GFCCVEGCSA-N 0 3 251.374 2.094 20 30 CEEDHN C[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)CCCCC#N ZINC000594434470 345630060 /nfs/dbraw/zinc/63/00/60/345630060.db2.gz ZOGYHPHSMVRKRL-BBRMVZONSA-N 0 3 285.391 2.371 20 30 CEEDHN COc1cc(C)cc(CNC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594437903 345630762 /nfs/dbraw/zinc/63/07/62/345630762.db2.gz QGOZXGHYLWLFAU-HNNXBMFYSA-N 0 3 289.379 2.031 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCc2ccc(F)cc21 ZINC000594437328 345630886 /nfs/dbraw/zinc/63/08/86/345630886.db2.gz LKLZDUZBXFDSJP-CYBMUJFWSA-N 0 3 275.327 2.126 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccccn1 ZINC000594441138 345631434 /nfs/dbraw/zinc/63/14/34/345631434.db2.gz NNUWGQZLNXKPBZ-HIFRSBDPSA-N 0 3 286.379 2.156 20 30 CEEDHN CCSCC[C@@H](C)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594446760 345632804 /nfs/dbraw/zinc/63/28/04/345632804.db2.gz XJBXDLCCYBSSBE-CHWSQXEVSA-N 0 3 285.457 2.388 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000594447643 345633439 /nfs/dbraw/zinc/63/34/39/345633439.db2.gz USKHIVJWTNLBIF-PBHICJAKSA-N 0 3 299.418 2.319 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC[C@@H]1CC12CCSCC2 ZINC000594450256 345634106 /nfs/dbraw/zinc/63/41/06/345634106.db2.gz VRXKKMTZMTXDJF-STQMWFEESA-N 0 3 295.452 2.047 20 30 CEEDHN N#Cc1ccc2c(c1)CN(C(=O)C1(N)CCCCC1)C2 ZINC000594453379 345634829 /nfs/dbraw/zinc/63/48/29/345634829.db2.gz UZYKRUHTHKKWQZ-UHFFFAOYSA-N 0 3 269.348 2.062 20 30 CEEDHN CC1CCC(NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594462332 345635990 /nfs/dbraw/zinc/63/59/90/345635990.db2.gz DEHPKBDFPMKSGU-BPCQOVAHSA-N 0 3 251.374 2.093 20 30 CEEDHN CC(C)(C#N)c1ccc(CNC[C@@H]2CCCNC2=O)cc1 ZINC000594510073 345641051 /nfs/dbraw/zinc/64/10/51/345641051.db2.gz ZRBPYNWRGYKSJE-AWEZNQCLSA-N 0 3 285.391 2.104 20 30 CEEDHN CO[C@H]1CCN(Cc2cc(C#N)n(C)c2)CC1(C)C ZINC000295117588 199354601 /nfs/dbraw/zinc/35/46/01/199354601.db2.gz WYPWETSFMMQJLF-AWEZNQCLSA-N 0 3 261.369 2.144 20 30 CEEDHN N#CCC[C@@H](N[C@@H]1CCCNC(=O)C1)c1ccccc1 ZINC000602579565 347087157 /nfs/dbraw/zinc/08/71/57/347087157.db2.gz ALFVEENDCSILKH-HUUCEWRRSA-N 0 3 271.364 2.290 20 30 CEEDHN COc1ccc(N2C[C@H](N[C@H]3CC[C@@H](C#N)C3)CC2=O)cc1 ZINC000595077949 345740251 /nfs/dbraw/zinc/74/02/51/345740251.db2.gz LPQBWWPYBKGIDM-HZSPNIEDSA-N 0 3 299.374 2.082 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1C[C@@H](O)C13CCC3)CC2 ZINC000595093025 345741424 /nfs/dbraw/zinc/74/14/24/345741424.db2.gz XVKONWWPOCLDAV-OWCLPIDISA-N 0 3 268.360 2.439 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000595249059 345747924 /nfs/dbraw/zinc/74/79/24/345747924.db2.gz FJRZEZPOXPWJMZ-LNSITVRQSA-N 0 3 269.348 2.029 20 30 CEEDHN CC(C)CCc1nnc(NC(=O)[C@H](N)CCCC#N)s1 ZINC000595251462 345748580 /nfs/dbraw/zinc/74/85/80/345748580.db2.gz WBNLBXYJTGKTKM-SNVBAGLBSA-N 0 3 295.412 2.086 20 30 CEEDHN Cc1ccc(CCNC(=O)[C@H](N)CCCCC#N)cc1C ZINC000595267545 345751794 /nfs/dbraw/zinc/75/17/94/345751794.db2.gz DPOOSHFNNCKJMX-MRXNPFEDSA-N 0 3 287.407 2.373 20 30 CEEDHN C[C@@H]1CN(CCN(C)Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000595287428 345754558 /nfs/dbraw/zinc/75/45/58/345754558.db2.gz ICBNMJQWXVKZBK-HUUCEWRRSA-N 0 3 287.407 2.099 20 30 CEEDHN CCN(CC)C(=O)[C@@H]1CCCN1CCc1ccc(C#N)cc1 ZINC000595294864 345755745 /nfs/dbraw/zinc/75/57/45/345755745.db2.gz SLAVPWYWQXRCFB-KRWDZBQOSA-N 0 3 299.418 2.434 20 30 CEEDHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000594928855 345705681 /nfs/dbraw/zinc/70/56/81/345705681.db2.gz HLECOJBAFVJCGT-RBDSIQFVSA-N 0 3 272.348 2.406 20 30 CEEDHN C=CCCn1cc(CNCC(C)(C)CCC#N)nn1 ZINC000594961265 345717846 /nfs/dbraw/zinc/71/78/46/345717846.db2.gz ZUDRQKQLIPYFMQ-UHFFFAOYSA-N 0 3 261.373 2.274 20 30 CEEDHN C[S@](=O)[C@@H]1CCC[C@H](NCc2cccc(C#N)c2)C1 ZINC000594962714 345718131 /nfs/dbraw/zinc/71/81/31/345718131.db2.gz GCYUCVSTEWLYRT-KHYOSLBOSA-N 0 3 276.405 2.338 20 30 CEEDHN COc1cc(CN[C@@H]2COC3(CCC3)C2)ccc1C#N ZINC000594975259 345720682 /nfs/dbraw/zinc/72/06/82/345720682.db2.gz OPTGZTRFMTZIBT-AWEZNQCLSA-N 0 3 272.348 2.368 20 30 CEEDHN N#Cc1ccc(CN[C@H]2C[C@H](O)C23CCC3)cc1F ZINC000594987423 345722049 /nfs/dbraw/zinc/72/20/49/345722049.db2.gz KMEWOTMLAMKRSH-KBPBESRZSA-N 0 3 260.312 2.090 20 30 CEEDHN CO[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)[C@@H]1CCOC1 ZINC000595059761 345736806 /nfs/dbraw/zinc/73/68/06/345736806.db2.gz IHPZYULBSGAKRB-DJIMGWMZSA-N 0 3 286.375 2.187 20 30 CEEDHN C=CCCSCCNC(=O)NC1CCN(CC)CC1 ZINC000595545551 345808660 /nfs/dbraw/zinc/80/86/60/345808660.db2.gz CUPJDCSAKJQQHW-UHFFFAOYSA-N 0 3 285.457 2.079 20 30 CEEDHN N#Cc1ccc(CCN2CCCN(CC(F)F)CC2)cc1 ZINC000595403669 345774311 /nfs/dbraw/zinc/77/43/11/345774311.db2.gz GZRASTGFLJVKMS-UHFFFAOYSA-N 0 3 293.361 2.374 20 30 CEEDHN C[C@@H]1[C@@H](C)N(CCc2ccc(C#N)cc2)CCN1C ZINC000595410893 345776112 /nfs/dbraw/zinc/77/61/12/345776112.db2.gz UHIGZGLWVUDIAK-ZIAGYGMSSA-N 0 3 257.381 2.125 20 30 CEEDHN CC1CCN(CCNC(=O)N2CCC[C@@H](CC#N)C2)CC1 ZINC000595454504 345786801 /nfs/dbraw/zinc/78/68/01/345786801.db2.gz LPJZWTGYERPKDI-HNNXBMFYSA-N 0 3 292.427 2.054 20 30 CEEDHN C=CCCSCCNC(=O)NCCN1CCC(C)CC1 ZINC000595454741 345786858 /nfs/dbraw/zinc/78/68/58/345786858.db2.gz NBHAORFCRKFTOH-UHFFFAOYSA-N 0 3 299.484 2.327 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@]2(C)COC[C@]2(C)C1 ZINC000595689239 345849206 /nfs/dbraw/zinc/84/92/06/345849206.db2.gz OCXAJCGGTXULQJ-CALCHBBNSA-N 0 3 286.375 2.425 20 30 CEEDHN C[C@@]12COC[C@]1(C)CN(CCOc1ccc(C#N)cc1)C2 ZINC000595687884 345849233 /nfs/dbraw/zinc/84/92/33/345849233.db2.gz DUKZDQJZKZUPRC-CALCHBBNSA-N 0 3 286.375 2.295 20 30 CEEDHN CC(C)(C)N1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)C1 ZINC000595696766 345852037 /nfs/dbraw/zinc/85/20/37/345852037.db2.gz DBHWOXUAKLLKOM-CQSZACIVSA-N 0 3 292.427 2.194 20 30 CEEDHN C=CCCSCCNC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000595721314 345859836 /nfs/dbraw/zinc/85/98/36/345859836.db2.gz WEJKMWOJYJVMEU-HNNXBMFYSA-N 0 3 297.468 2.033 20 30 CEEDHN N#Cc1cccc(CN2CC[C@H](CN3CCCC3=O)C2)c1 ZINC000595827997 345887461 /nfs/dbraw/zinc/88/74/61/345887461.db2.gz GTOUWHNKCOTHEP-INIZCTEOSA-N 0 3 283.375 2.003 20 30 CEEDHN CC(CN1CC[C@](C)(C#N)C1)CN1CC[C@](C)(C#N)C1 ZINC000595840880 345895585 /nfs/dbraw/zinc/89/55/85/345895585.db2.gz QMYYQHTYFGTNCE-HZPDHXFCSA-N 0 3 274.412 2.094 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N(CC(=O)N(CCC#N)CCC#N)C1 ZINC000595784064 345875854 /nfs/dbraw/zinc/87/58/54/345875854.db2.gz RSSOENCQMXPSCF-HUUCEWRRSA-N 0 3 290.411 2.153 20 30 CEEDHN CCN1CCC[C@H]1CNc1nc2ncccc2cc1C#N ZINC000596049164 345927504 /nfs/dbraw/zinc/92/75/04/345927504.db2.gz FSWBSJUBXMUSNU-AWEZNQCLSA-N 0 3 281.363 2.398 20 30 CEEDHN N#Cc1cc2cccnc2nc1NCCN1CCCC1 ZINC000596058024 345930431 /nfs/dbraw/zinc/93/04/31/345930431.db2.gz BFJJMFDEQYVWMA-UHFFFAOYSA-N 0 3 267.336 2.009 20 30 CEEDHN CC1(C)CN(C(=O)[C@H](N)CCCC#N)[C@@H]1c1cccnc1 ZINC000595946800 345917380 /nfs/dbraw/zinc/91/73/80/345917380.db2.gz HKDFBBUUMMOJQS-ZIAGYGMSSA-N 0 3 286.379 2.012 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000595948642 345917400 /nfs/dbraw/zinc/91/74/00/345917400.db2.gz SQMPZZGFHMFISB-KGLIPLIRSA-N 0 3 263.385 2.046 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H](c2ccccc2)C1 ZINC000595960496 345917889 /nfs/dbraw/zinc/91/78/89/345917889.db2.gz UOTFWYHEBLSESJ-HOTGVXAUSA-N 0 3 285.391 2.414 20 30 CEEDHN CCN(Cc1ccc(C)cc1)C(=O)[C@@H](N)CCCC#N ZINC000595966519 345918571 /nfs/dbraw/zinc/91/85/71/345918571.db2.gz ISTFVWUWCPVFBU-HNNXBMFYSA-N 0 3 273.380 2.365 20 30 CEEDHN Cc1cc(NCC2=CCN(C)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596184308 345963297 /nfs/dbraw/zinc/96/32/97/345963297.db2.gz FBCFBYKOHBABGU-UHFFFAOYSA-N 0 3 286.335 2.449 20 30 CEEDHN CC1CCC(N2CCN(c3cc(C#N)cnn3)CC2)CC1 ZINC000596128049 345946395 /nfs/dbraw/zinc/94/63/95/345946395.db2.gz GCPLSDIKZAMKCS-UHFFFAOYSA-N 0 3 285.395 2.049 20 30 CEEDHN N#Cc1[n-]c(=NCC2CC[NH+](C3CC3)CC2)sc1Cl ZINC000596212173 345971117 /nfs/dbraw/zinc/97/11/17/345971117.db2.gz DALMWWHYFYQQAP-UHFFFAOYSA-N 0 3 296.827 2.376 20 30 CEEDHN CC(C)N(CCN(C)C)c1nc(C#N)c(Cl)s1 ZINC000596218238 345972873 /nfs/dbraw/zinc/97/28/73/345972873.db2.gz HXOHPGBWRXAENH-UHFFFAOYSA-N 0 3 272.805 2.445 20 30 CEEDHN CN1CC[C@@]2(CCN(c3nc(C#N)c(Cl)s3)C2)C1 ZINC000596242447 345978476 /nfs/dbraw/zinc/97/84/76/345978476.db2.gz RAXUCKQNBWXXMR-GFCCVEGCSA-N 0 3 282.800 2.200 20 30 CEEDHN CN(CCN(C)C1CC1)c1nc(C#N)c(Cl)s1 ZINC000596196240 345966409 /nfs/dbraw/zinc/96/64/09/345966409.db2.gz PVTHIQQGQCKPJU-UHFFFAOYSA-N 0 3 270.789 2.199 20 30 CEEDHN CCCN1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000596658729 346074091 /nfs/dbraw/zinc/07/40/91/346074091.db2.gz MNOKKCWRAULWPH-HNNXBMFYSA-N 0 3 286.379 2.358 20 30 CEEDHN C=CCCSCCNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000596717627 346079677 /nfs/dbraw/zinc/07/96/77/346079677.db2.gz NJLPWXWNAKMWJN-UONOGXRCSA-N 0 3 297.468 2.031 20 30 CEEDHN CCCN1CC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000596728479 346081439 /nfs/dbraw/zinc/08/14/39/346081439.db2.gz ZONXXIJMCWOGOR-ZDUSSCGKSA-N 0 3 290.342 2.303 20 30 CEEDHN N#CC1(CC(=O)N[C@@H]2CCN(C3CC3)C2)CCCCC1 ZINC000596928239 346107243 /nfs/dbraw/zinc/10/72/43/346107243.db2.gz NUVLPACXRVHHMT-CYBMUJFWSA-N 0 3 275.396 2.203 20 30 CEEDHN CN1CCC[C@H]1CNC(=O)CC1(C#N)CCCCC1 ZINC000597224279 346154186 /nfs/dbraw/zinc/15/41/86/346154186.db2.gz CONMJEMYOCYGPN-ZDUSSCGKSA-N 0 3 263.385 2.061 20 30 CEEDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cccc(C#N)c1)C2 ZINC000597717055 346221281 /nfs/dbraw/zinc/22/12/81/346221281.db2.gz XNNKGCVDDBWHIV-QGZVFWFLSA-N 0 3 283.375 2.116 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597920340 346253172 /nfs/dbraw/zinc/25/31/72/346253172.db2.gz ACIGKORITFMKIW-NSHDSACASA-N 0 3 275.352 2.062 20 30 CEEDHN CCN(C(=O)c1cc(F)c(C#N)c(F)c1)[C@H]1CCN(C)C1 ZINC000597947196 346256099 /nfs/dbraw/zinc/25/60/99/346256099.db2.gz VEOFIUBWJAARFB-NSHDSACASA-N 0 3 293.317 2.003 20 30 CEEDHN CCN(C(=O)CC1(C#N)CCCCC1)[C@H]1CCN(C)C1 ZINC000597946561 346256132 /nfs/dbraw/zinc/25/61/32/346256132.db2.gz SCGNXMSBBSBXRE-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN CCN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCN(CC)C1 ZINC000598044037 346274961 /nfs/dbraw/zinc/27/49/61/346274961.db2.gz YHHKRUZEWQKQEQ-OAHLLOKOSA-N 0 3 271.364 2.115 20 30 CEEDHN CC(C#N)C(=O)N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000598139291 346299764 /nfs/dbraw/zinc/29/97/64/346299764.db2.gz MIAYBGPYGDBVJH-AAEUAGOBSA-N 0 3 274.320 2.119 20 30 CEEDHN CN(CCc1ccccc1)[C@@H]1CCN(C(=O)CCCC#N)C1 ZINC000598195866 346302938 /nfs/dbraw/zinc/30/29/38/346302938.db2.gz VDBKNFVMUUUWJN-QGZVFWFLSA-N 0 3 299.418 2.456 20 30 CEEDHN N#Cc1cccc(OCCN2CCCN(C3CC3)CC2)c1 ZINC000061040798 362673828 /nfs/dbraw/zinc/67/38/28/362673828.db2.gz IWASAGGCFQDWPN-UHFFFAOYSA-N 0 3 285.391 2.107 20 30 CEEDHN CC(C#N)C(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000598397796 346345576 /nfs/dbraw/zinc/34/55/76/346345576.db2.gz JMCUJQCFYITBQX-GMSGAONNSA-N 0 3 287.146 2.303 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1nccn1C ZINC000598464382 346361003 /nfs/dbraw/zinc/36/10/03/346361003.db2.gz JLVSABIGOAORQB-HIFRSBDPSA-N 0 3 296.374 2.370 20 30 CEEDHN CC(C)(C)CCN1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598585462 346377987 /nfs/dbraw/zinc/37/79/87/346377987.db2.gz DMXJERKSDRXLBW-HNNXBMFYSA-N 0 3 295.471 2.341 20 30 CEEDHN Cc1cnn([C@H]2CCCN(C[C@@H](O)CC(C)(C)C#N)C2)c1 ZINC000598590029 346378750 /nfs/dbraw/zinc/37/87/50/346378750.db2.gz WQXDFBYSQUDDAM-GJZGRUSLSA-N 0 3 290.411 2.129 20 30 CEEDHN CC(C)[C@H]1CN(C[C@@H](O)CC(C)(C)C#N)CCS1 ZINC000598591396 346379799 /nfs/dbraw/zinc/37/97/99/346379799.db2.gz APVJIMGOSKQCFG-QWHCGFSZSA-N 0 3 270.442 2.361 20 30 CEEDHN CCN(CCc1nccs1)C[C@H](O)CC(C)(C)C#N ZINC000598595192 346380422 /nfs/dbraw/zinc/38/04/22/346380422.db2.gz CTVOFGDOLULMKN-GFCCVEGCSA-N 0 3 281.425 2.308 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(OCC2CC2)CC1 ZINC000598595995 346380964 /nfs/dbraw/zinc/38/09/64/346380964.db2.gz PQDUXUQTEQMDII-CQSZACIVSA-N 0 3 280.412 2.178 20 30 CEEDHN Cc1ccncc1[C@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC000598601477 346381930 /nfs/dbraw/zinc/38/19/30/346381930.db2.gz FTMKNIXOBYMLBF-STQMWFEESA-N 0 3 261.369 2.341 20 30 CEEDHN COc1cccc2c1CCN(C[C@@H](O)CC(C)(C)C#N)C2 ZINC000598604507 346382747 /nfs/dbraw/zinc/38/27/47/346382747.db2.gz TWXYMSNVHMDHDW-AWEZNQCLSA-N 0 3 288.391 2.354 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000598615779 346384789 /nfs/dbraw/zinc/38/47/89/346384789.db2.gz DZQRNTYBNIXHKU-SOUVJXGZSA-N 0 3 292.423 2.321 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@@H](c2cccnc2)C1 ZINC000598624690 346386910 /nfs/dbraw/zinc/38/69/10/346386910.db2.gz LIDHBCBQCFBMEY-HUUCEWRRSA-N 0 3 273.380 2.172 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN[C@H](CCO)c1ccccc1F ZINC000598626702 346387577 /nfs/dbraw/zinc/38/75/77/346387577.db2.gz ZQCJVMJGVMJLMV-SWLSCSKDSA-N 0 3 294.370 2.140 20 30 CEEDHN N#Cc1ccc(OC[C@@H](O)CN2CC(CC3CC3)C2)cc1 ZINC000598706301 346405061 /nfs/dbraw/zinc/40/50/61/346405061.db2.gz PZVNQMYIEWQFKP-INIZCTEOSA-N 0 3 286.375 2.030 20 30 CEEDHN CC(=O)Nc1ccccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598721627 346408181 /nfs/dbraw/zinc/40/81/81/346408181.db2.gz WFDBPLOLKPLHCU-CQSZACIVSA-N 0 3 289.379 2.035 20 30 CEEDHN CC1(C)CC[C@@H](CO)N(CCOc2ccc(C#N)cc2)C1 ZINC000598648548 346393223 /nfs/dbraw/zinc/39/32/23/346393223.db2.gz PKYKOMAQJUTQCP-HNNXBMFYSA-N 0 3 288.391 2.420 20 30 CEEDHN Cn1c2cc(CN[C@H]3CCC[C@@H](C#N)C3)ccc2oc1=O ZINC000599085168 346457962 /nfs/dbraw/zinc/45/79/62/346457962.db2.gz VXLZNUOJVOBZDE-YPMHNXCESA-N 0 3 285.347 2.303 20 30 CEEDHN COc1ccc(C#N)cc1N[C@@H]1CCN(C)[C@H](C)C1 ZINC000602592761 347091659 /nfs/dbraw/zinc/09/16/59/347091659.db2.gz SYDCQZHRMYALEK-DGCLKSJQSA-N 0 3 259.353 2.461 20 30 CEEDHN N#Cc1ccccc1OC[C@@H](O)CN1C[C@@H]2CCCC[C@@H]21 ZINC000599453828 346523548 /nfs/dbraw/zinc/52/35/48/346523548.db2.gz BYGMGIBPXMISQX-JYJNAYRXSA-N 0 3 286.375 2.172 20 30 CEEDHN Cc1ccncc1[C@@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC000599362478 346507735 /nfs/dbraw/zinc/50/77/35/346507735.db2.gz OBLNCFOWMRXTLJ-CHWSQXEVSA-N 0 3 259.353 2.095 20 30 CEEDHN CC1=C(C)CN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599393553 346513226 /nfs/dbraw/zinc/51/32/26/346513226.db2.gz IURHAJIXRBHOCB-HNNXBMFYSA-N 0 3 278.396 2.100 20 30 CEEDHN Cc1ccoc1CN(C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599425490 346516243 /nfs/dbraw/zinc/51/62/43/346516243.db2.gz JVJIESJNDAZRBZ-AWEZNQCLSA-N 0 3 292.379 2.091 20 30 CEEDHN COC(=O)[C@]1(C)CCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599311583 346496228 /nfs/dbraw/zinc/49/62/28/346496228.db2.gz KXMZKRMIQUBHFK-MRXNPFEDSA-N 0 3 272.348 2.252 20 30 CEEDHN Cc1ccc(CN2C[C@H]3COC[C@]3(C)C2)cc1C#N ZINC000599466914 346524792 /nfs/dbraw/zinc/52/47/92/346524792.db2.gz DKNBAHCOESINFL-HOTGVXAUSA-N 0 3 256.349 2.335 20 30 CEEDHN Cc1ccc(CN2C[C@@H]3COC[C@]3(C)C2)cc1C#N ZINC000599466904 346524966 /nfs/dbraw/zinc/52/49/66/346524966.db2.gz DKNBAHCOESINFL-CVEARBPZSA-N 0 3 256.349 2.335 20 30 CEEDHN C[C@@H](CNCc1cccc(C#N)n1)c1nccs1 ZINC000602611467 347101721 /nfs/dbraw/zinc/10/17/21/347101721.db2.gz CYAOUKHAHMJSGI-JTQLQIEISA-N 0 3 258.350 2.303 20 30 CEEDHN N#CCSCCCN1CCc2nc(C3CC3)ncc2C1 ZINC000599620643 346547159 /nfs/dbraw/zinc/54/71/59/346547159.db2.gz YBOWHXRPJDUZTG-UHFFFAOYSA-N 0 3 288.420 2.359 20 30 CEEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCC(=O)N(C)C1 ZINC000600179238 346616765 /nfs/dbraw/zinc/61/67/65/346616765.db2.gz WKMLQRBSABGYCJ-MRXNPFEDSA-N 0 3 297.402 2.294 20 30 CEEDHN N#CC1(C[C@H](O)CNCc2ccc(F)c(F)c2)CC1 ZINC000600716272 346677092 /nfs/dbraw/zinc/67/70/92/346677092.db2.gz DGTXLZUOHTWOHL-NSHDSACASA-N 0 3 266.291 2.109 20 30 CEEDHN CC(C)Oc1ncccc1CNC[C@H](O)CC1(C#N)CC1 ZINC000600718910 346677571 /nfs/dbraw/zinc/67/75/71/346677571.db2.gz ZRVIMAHXCFCZKU-CQSZACIVSA-N 0 3 289.379 2.013 20 30 CEEDHN C=CCOc1ccc(CNC[C@@H](O)CC2(C#N)CC2)cc1 ZINC000600740596 346682852 /nfs/dbraw/zinc/68/28/52/346682852.db2.gz JKWSEDBIIYPUNR-HNNXBMFYSA-N 0 3 286.375 2.396 20 30 CEEDHN CN(C)CCNc1ccc(-c2ccc(C#N)s2)cn1 ZINC000600778336 346688421 /nfs/dbraw/zinc/68/84/21/346688421.db2.gz WGVYPEAQYHYOST-UHFFFAOYSA-N 0 3 272.377 2.077 20 30 CEEDHN Cc1cc(C#N)cc(N(C)[C@@H]2CCN(C)C[C@@H]2C)n1 ZINC000601125946 346761508 /nfs/dbraw/zinc/76/15/08/346761508.db2.gz LBVOZYWJHDQJST-SMDDNHRTSA-N 0 3 258.369 2.038 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ncc(C#N)c2ccsc21 ZINC000601129653 346762949 /nfs/dbraw/zinc/76/29/49/346762949.db2.gz VQIGTYLLGJYGMR-QMTHXVAHSA-N 0 3 298.415 2.484 20 30 CEEDHN Cc1cc(C#N)cc(N(CCN(C)C)Cc2ccccn2)n1 ZINC000601131953 346764108 /nfs/dbraw/zinc/76/41/08/346764108.db2.gz SIXBJCOVHLVKHB-UHFFFAOYSA-N 0 3 295.390 2.225 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H](CC)C2)CC1 ZINC000129400341 365854124 /nfs/dbraw/zinc/85/41/24/365854124.db2.gz YQOTWJSUAMYVQJ-GDBMZVCRSA-N 0 3 276.424 2.417 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)C2(C#N)CC3(CC3)C2)CCN1C ZINC000601224600 346795192 /nfs/dbraw/zinc/79/51/92/346795192.db2.gz IDJCYWFQASVOJS-STQMWFEESA-N 0 3 275.396 2.011 20 30 CEEDHN C=CCc1cc(CN2CCC[C@@](C)(O)C2)cc(OC)c1O ZINC000129463017 365860931 /nfs/dbraw/zinc/86/09/31/365860931.db2.gz CURGVROZLHWFBM-QGZVFWFLSA-N 0 3 291.391 2.476 20 30 CEEDHN CO[C@H](CN[C@@H]1CCc2cc(C#N)ccc21)[C@H]1CCOC1 ZINC000602640231 347118880 /nfs/dbraw/zinc/11/88/80/347118880.db2.gz KYGFAOPXADETDZ-USXIJHARSA-N 0 3 286.375 2.187 20 30 CEEDHN Cc1ccc(CN(CCO)C[C@@H](C)CCC#N)o1 ZINC000602644231 347120183 /nfs/dbraw/zinc/12/01/83/347120183.db2.gz LDXUFPLVMLLSER-LBPRGKRZSA-N 0 3 250.342 2.322 20 30 CEEDHN C[C@@H](CCC#N)CN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000602643282 347120287 /nfs/dbraw/zinc/12/02/87/347120287.db2.gz DAKZAYRQYHZFKQ-DZGCQCFKSA-N 0 3 266.385 2.196 20 30 CEEDHN CC[C@H](COCC(F)(F)F)NCc1cccc(C#N)n1 ZINC000602674295 347136195 /nfs/dbraw/zinc/13/61/95/347136195.db2.gz ODZFEXFQHDAHTM-SNVBAGLBSA-N 0 3 287.285 2.400 20 30 CEEDHN N#Cc1cccc(CNC[C@H]2CCOC3(CCC3)C2)n1 ZINC000602677272 347138943 /nfs/dbraw/zinc/13/89/43/347138943.db2.gz XDAZXAQNUWDUQX-ZDUSSCGKSA-N 0 3 271.364 2.392 20 30 CEEDHN COc1ncc(CN[C@H]2CC[C@@H](CC#N)C2)s1 ZINC000602679937 347141115 /nfs/dbraw/zinc/14/11/15/347141115.db2.gz MQQGGVJPWUNMDK-UWVGGRQHSA-N 0 3 251.355 2.324 20 30 CEEDHN COCC1(CNCc2cccc(C#N)n2)CCCC1 ZINC000602682890 347142589 /nfs/dbraw/zinc/14/25/89/347142589.db2.gz STMHKCHMBRJZQH-UHFFFAOYSA-N 0 3 259.353 2.250 20 30 CEEDHN COC(=O)c1csc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000602693384 347151951 /nfs/dbraw/zinc/15/19/51/347151951.db2.gz HIFCSGLKDYRHCA-GXSJLCMTSA-N 0 3 264.350 2.317 20 30 CEEDHN C[C@H]1CC2(CN1Cc1cccc(C#N)n1)CCOCC2 ZINC000602702367 347158540 /nfs/dbraw/zinc/15/85/40/347158540.db2.gz JUSLCPXKXQQBMA-ZDUSSCGKSA-N 0 3 271.364 2.344 20 30 CEEDHN N#Cc1cccc(CNC[C@H]2CCN2C2CCCCC2)n1 ZINC000602721200 347169807 /nfs/dbraw/zinc/16/98/07/347169807.db2.gz PPNYANVMZIWYBI-QGZVFWFLSA-N 0 3 284.407 2.450 20 30 CEEDHN N#Cc1cccc(CNC[C@H]2CCN2Cc2ccccc2)n1 ZINC000602717596 347167575 /nfs/dbraw/zinc/16/75/75/347167575.db2.gz OYDGZEQBASVGOS-GOSISDBHSA-N 0 3 292.386 2.317 20 30 CEEDHN CO[C@@H](CNCC1(C#N)CCCCC1)C1CCOCC1 ZINC000602718776 347168154 /nfs/dbraw/zinc/16/81/54/347168154.db2.gz LDZBSAQBCZVRRX-HNNXBMFYSA-N 0 3 280.412 2.492 20 30 CEEDHN CO[C@H](CNCc1ccc(C#N)c(Cl)c1)[C@H]1CCOC1 ZINC000602659090 347127387 /nfs/dbraw/zinc/12/73/87/347127387.db2.gz NAPWJBHBTPBALD-DZGCQCFKSA-N 0 3 294.782 2.353 20 30 CEEDHN CO[C@]1(CNCc2ccc(C#N)c(Cl)c2)CCOC1 ZINC000602658540 347127563 /nfs/dbraw/zinc/12/75/63/347127563.db2.gz KNQVZDVLLSENIK-AWEZNQCLSA-N 0 3 280.755 2.107 20 30 CEEDHN CC(C)(C)CNC(=O)C(C)(C)NCC1(CC#N)CC1 ZINC000602797381 347203073 /nfs/dbraw/zinc/20/30/73/347203073.db2.gz HSJSTFYSFVSQGR-UHFFFAOYSA-N 0 3 265.401 2.211 20 30 CEEDHN C[C@@H]1OCC[C@@H]1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000602827278 347215454 /nfs/dbraw/zinc/21/54/54/347215454.db2.gz XNTXLMOXGAMTSP-LSDHHAIUSA-N 0 3 285.391 2.364 20 30 CEEDHN CN(CCn1cc(Br)cn1)CC1(CC#N)CC1 ZINC000602827177 347215804 /nfs/dbraw/zinc/21/58/04/347215804.db2.gz AZTSAFARYRWCSG-UHFFFAOYSA-N 0 3 297.200 2.271 20 30 CEEDHN N#CCC1(CN2CC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000602838077 347219269 /nfs/dbraw/zinc/21/92/69/347219269.db2.gz PMFGNDWWTKGQKJ-QGZVFWFLSA-N 0 3 270.376 2.316 20 30 CEEDHN CO[C@H](CN1C[C@@H](C)N(CC#N)[C@H](C)C1)C1CCCC1 ZINC000602851381 347224180 /nfs/dbraw/zinc/22/41/80/347224180.db2.gz VSVAQSBJHYPQDY-IIAWOOMASA-N 0 3 279.428 2.110 20 30 CEEDHN N#CCCCN[C@H](c1ccncc1)C1(CO)CCC1 ZINC000602902408 347241495 /nfs/dbraw/zinc/24/14/95/347241495.db2.gz LOMRVNCUIGBUOX-CQSZACIVSA-N 0 3 259.353 2.179 20 30 CEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1ccnc(C#N)c1 ZINC000603126451 347291872 /nfs/dbraw/zinc/29/18/72/347291872.db2.gz PDTOTCXQHPCBNQ-DOMZBBRYSA-N 0 3 299.378 2.044 20 30 CEEDHN C[C@@H](CN(C)[C@@H](C)C(=O)N(C)CCC#N)C(C)(C)C ZINC000603053414 347277356 /nfs/dbraw/zinc/27/73/56/347277356.db2.gz BWEOQEDWSIPHMK-STQMWFEESA-N 0 3 267.417 2.361 20 30 CEEDHN CC(C)(C#N)CCCn1cc([C@H](N)C2CCOCC2)nn1 ZINC000603260289 347323201 /nfs/dbraw/zinc/32/32/01/347323201.db2.gz LUOMJSNICHXAEY-CQSZACIVSA-N 0 3 291.399 2.034 20 30 CEEDHN COCc1cc(C#N)ccc1N[C@@H]1CCN(C2CC2)C1 ZINC000603279652 347327862 /nfs/dbraw/zinc/32/78/62/347327862.db2.gz RDUOPGAKARHYAC-CQSZACIVSA-N 0 3 271.364 2.353 20 30 CEEDHN C=CCOc1ccc(C(=O)NCCN2CC[C@H](C)C2)cc1 ZINC000608613554 347604593 /nfs/dbraw/zinc/60/45/93/347604593.db2.gz YHTGCDWKBPVPPT-AWEZNQCLSA-N 0 3 288.391 2.323 20 30 CEEDHN N#Cc1cnn2cc(CNC[C@@H]3Cc4ccccc43)cnc12 ZINC000609222485 347630696 /nfs/dbraw/zinc/63/06/96/347630696.db2.gz NUGMGCPUVJKWTE-AWEZNQCLSA-N 0 3 289.342 2.030 20 30 CEEDHN CCO[C@@H]1C[C@@H](NC(=O)C(C)C#N)C12CCCC2 ZINC000610365141 347676268 /nfs/dbraw/zinc/67/62/68/347676268.db2.gz YAEDDIKXJKTFAJ-QJPTWQEYSA-N 0 3 250.342 2.000 20 30 CEEDHN COC(=O)C1(CNCc2ccc(C#N)cc2)CCCC1 ZINC000610723727 347706998 /nfs/dbraw/zinc/70/69/98/347706998.db2.gz CZNDRLXZFDBWNA-UHFFFAOYSA-N 0 3 272.348 2.381 20 30 CEEDHN CC(C)(C#N)CCN1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000611462468 347781330 /nfs/dbraw/zinc/78/13/30/347781330.db2.gz BZKOFDVLDKOHMJ-UHFFFAOYSA-N 0 3 299.418 2.445 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCCNC1=O ZINC000611390483 347772769 /nfs/dbraw/zinc/77/27/69/347772769.db2.gz DUJYBKNBSOCEGK-CVEARBPZSA-N 0 3 283.375 2.194 20 30 CEEDHN CC(=O)N1CC[C@H](NCc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000610947043 347723703 /nfs/dbraw/zinc/72/37/03/347723703.db2.gz ABLNKFAWPXGWQS-BZNIZROVSA-N 0 3 289.354 2.044 20 30 CEEDHN Cc1cccc(C)c1CN1CCN(CCC#N)CC1 ZINC000611176243 347748016 /nfs/dbraw/zinc/74/80/16/347748016.db2.gz WTZVVQYYFMEQMU-UHFFFAOYSA-N 0 3 257.381 2.335 20 30 CEEDHN N#Cc1cccc(NC(=O)CCN2CC[C@@H](C(F)F)C2)c1 ZINC000611179696 347748386 /nfs/dbraw/zinc/74/83/86/347748386.db2.gz HUNIFMAPUVNUSS-GFCCVEGCSA-N 0 3 293.317 2.474 20 30 CEEDHN C[C@@H](CO)CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000611235406 347754740 /nfs/dbraw/zinc/75/47/40/347754740.db2.gz NCXIJKYZPFCOQU-CYBMUJFWSA-N 0 3 274.364 2.030 20 30 CEEDHN CCc1cccnc1[C@@H](C)NC1CCN(CC#N)CC1 ZINC000611559429 347794686 /nfs/dbraw/zinc/79/46/86/347794686.db2.gz AFDBDSCCDRUZBB-CYBMUJFWSA-N 0 3 272.396 2.283 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)N2CCC[C@](C)(C#N)C2)C1 ZINC000612109498 347846633 /nfs/dbraw/zinc/84/66/33/347846633.db2.gz UNGIONJFZDZVHZ-GDBMZVCRSA-N 0 3 292.427 2.054 20 30 CEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cccc(CC#N)c1 ZINC000874842547 649849624 /nfs/dbraw/zinc/84/96/24/649849624.db2.gz IREIQPKNWHOVEH-HZPDHXFCSA-N 0 3 283.375 2.061 20 30 CEEDHN C[C@@H]1CN(C)[C@@H](C)CN1CCCOc1cccc(C#N)c1 ZINC000351925656 219250104 /nfs/dbraw/zinc/25/01/04/219250104.db2.gz FFHGOIAVRMXSFD-LSDHHAIUSA-N 0 3 287.407 2.352 20 30 CEEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614160885 348152280 /nfs/dbraw/zinc/15/22/80/348152280.db2.gz PVCCJIXLTPFKJT-CQSZACIVSA-N 0 3 286.375 2.483 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCN(C)[C@H](C)[C@@H]1C ZINC000614403253 348194573 /nfs/dbraw/zinc/19/45/73/348194573.db2.gz MZHUYJSYFGZFCU-KGLIPLIRSA-N 0 3 257.381 2.391 20 30 CEEDHN N#Cc1ccc(N2CCC(NCc3ccco3)CC2)nc1 ZINC000067011049 362899398 /nfs/dbraw/zinc/89/93/98/362899398.db2.gz UBNHXZPPTUJLRS-UHFFFAOYSA-N 0 3 282.347 2.305 20 30 CEEDHN CC#CCCCC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000617010123 348610386 /nfs/dbraw/zinc/61/03/86/348610386.db2.gz ISZJWKICEDAIIN-CYBMUJFWSA-N 0 3 250.386 2.169 20 30 CEEDHN C[C@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)[C@H]1C ZINC000357712477 233129660 /nfs/dbraw/zinc/12/96/60/233129660.db2.gz BRKUWICYDFDMSH-KBPBESRZSA-N 0 3 285.391 2.295 20 30 CEEDHN CC(C)(C#N)CCCCN1CCN(C(C)(C)CO)CC1 ZINC000618286859 348919979 /nfs/dbraw/zinc/91/99/79/348919979.db2.gz TWVPGXVEXOBIHK-UHFFFAOYSA-N 0 3 281.444 2.095 20 30 CEEDHN CCC[C@@]1(CO)CCCN1Cc1ccnc(C#N)c1 ZINC000618324051 348924750 /nfs/dbraw/zinc/92/47/50/348924750.db2.gz IMKULGSCXUWEDI-HNNXBMFYSA-N 0 3 259.353 2.080 20 30 CEEDHN C=CCOCCCNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000618526267 348966666 /nfs/dbraw/zinc/96/66/66/348966666.db2.gz PGGKOJGFQZFUTB-HNNXBMFYSA-N 0 3 280.412 2.102 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]1C)C(C)C ZINC000619663121 349213089 /nfs/dbraw/zinc/21/30/89/349213089.db2.gz SPBCUKLTKYZRAS-LSDHHAIUSA-N 0 3 279.428 2.489 20 30 CEEDHN C[C@H](NCC1(CC#N)CC1)c1cccc(-n2cnnn2)c1 ZINC000619535252 349195546 /nfs/dbraw/zinc/19/55/46/349195546.db2.gz MUSNGYGPORTKNA-LBPRGKRZSA-N 0 3 282.351 2.007 20 30 CEEDHN C=CC(C)(C)CCNCc1cn(Cc2cccnc2)nn1 ZINC000623592774 350060169 /nfs/dbraw/zinc/06/01/69/350060169.db2.gz ACLUYYFGEOCMHL-UHFFFAOYSA-N 0 3 285.395 2.413 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000623633494 350072074 /nfs/dbraw/zinc/07/20/74/350072074.db2.gz SMZIJICTMRONPS-DZGCQCFKSA-N 0 3 277.412 2.078 20 30 CEEDHN C=C[C@H](C)NC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000623747507 350100555 /nfs/dbraw/zinc/10/05/55/350100555.db2.gz YYYXPEIZIFJBCV-JSGCOSHPSA-N 0 3 265.401 2.267 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000623872836 350131797 /nfs/dbraw/zinc/13/17/97/350131797.db2.gz QAEZQBLRUZWMSK-KBPBESRZSA-N 0 3 277.412 2.244 20 30 CEEDHN CN(CCc1cnccn1)Cc1ccc(C#N)cc1 ZINC000271307323 191064635 /nfs/dbraw/zinc/06/46/35/191064635.db2.gz GXCNUOFUOGUGKP-UHFFFAOYSA-N 0 3 252.321 2.023 20 30 CEEDHN CCOCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963262 186036122 /nfs/dbraw/zinc/03/61/22/186036122.db2.gz BBWIBJJAAVQDSL-UHFFFAOYSA-N 0 3 274.364 2.438 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N(C)C[C@H]1CCCN1C ZINC000624461738 350290199 /nfs/dbraw/zinc/29/01/99/350290199.db2.gz JZJORDKJRUJGEN-CYBMUJFWSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CC[C@@H]1CCN(Cc2cccc(C(=O)NC)c2)C1 ZINC000625702293 350550264 /nfs/dbraw/zinc/55/02/64/350550264.db2.gz WVPPJFLSDWSHQT-CYBMUJFWSA-N 0 3 258.365 2.444 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCN(C)C1 ZINC000108510489 186220451 /nfs/dbraw/zinc/22/04/51/186220451.db2.gz ZUOHWJLQOKUIBT-CQSZACIVSA-N 0 3 286.379 2.330 20 30 CEEDHN C#CCCOc1ccc(CN2C[C@@H](CC)[C@H](O)C2)cc1 ZINC000271389440 191111902 /nfs/dbraw/zinc/11/19/02/191111902.db2.gz SUNWUWHMHHBBMD-NVXWUHKLSA-N 0 3 273.376 2.291 20 30 CEEDHN OC[C@]12CCC[C@H]1CN(CC#Cc1ccccc1)C2 ZINC000626015025 350629033 /nfs/dbraw/zinc/62/90/33/350629033.db2.gz FGSLNRWLLSYXAJ-DLBZAZTESA-N 0 3 255.361 2.133 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCCC[C@H]1CC ZINC000069537493 362977720 /nfs/dbraw/zinc/97/77/20/362977720.db2.gz MAAAAFZBKAXHHN-CQSZACIVSA-N 0 3 250.386 2.452 20 30 CEEDHN C=CC1CCN([C@H](C)C(=O)NCCC(C)C)CC1 ZINC000111258995 186379723 /nfs/dbraw/zinc/37/97/23/186379723.db2.gz HFHNMHFJUPFGPS-CYBMUJFWSA-N 0 3 252.402 2.435 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CC1CCC1 ZINC000111297199 186391976 /nfs/dbraw/zinc/39/19/76/186391976.db2.gz RFOARXGKDYKMBY-CYBMUJFWSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000630019072 351587506 /nfs/dbraw/zinc/58/75/06/351587506.db2.gz QYFPFERTFWXFAH-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN C[C@@H]1[C@H](C)N(CCCC2(C#N)CCOCC2)CCN1C ZINC000337172068 366051235 /nfs/dbraw/zinc/05/12/35/366051235.db2.gz FEFWLNLRPYCMKV-CABCVRRESA-N 0 3 279.428 2.111 20 30 CEEDHN C=CCN1CC[C@H](N[C@H](CC(F)(F)F)C(C)C)C1=O ZINC000337199935 366071137 /nfs/dbraw/zinc/07/11/37/366071137.db2.gz DXZOPHSQUCIFML-WDEREUQCSA-N 0 3 278.318 2.340 20 30 CEEDHN C=CCN1CC[C@H](N(C)CCCCOC(C)(C)C)C1=O ZINC000337200315 366071738 /nfs/dbraw/zinc/07/17/38/366071738.db2.gz BRHDWPYSAAYUEK-AWEZNQCLSA-N 0 3 282.428 2.300 20 30 CEEDHN COCC1=CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000337211894 366078918 /nfs/dbraw/zinc/07/89/18/366078918.db2.gz UYOSOYSTMPGMHD-UHFFFAOYSA-N 0 3 278.396 2.365 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000630731762 351835294 /nfs/dbraw/zinc/83/52/94/351835294.db2.gz UBKLLNGXOQZSOJ-CYBMUJFWSA-N 0 3 250.386 2.333 20 30 CEEDHN COCC1(CNCc2ccc(C#N)cc2F)CCOCC1 ZINC000291735487 198075018 /nfs/dbraw/zinc/07/50/18/198075018.db2.gz OFIUEDSDVNKVPE-UHFFFAOYSA-N 0 3 292.354 2.230 20 30 CEEDHN N#Cc1cccc(NC(=O)[C@H](C2CC2)N2CCCC2)c1 ZINC000122850088 187055481 /nfs/dbraw/zinc/05/54/81/187055481.db2.gz RACJTJOKVQVGCS-HNNXBMFYSA-N 0 3 269.348 2.371 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cnn(C(F)F)c2)CC1 ZINC000630942841 351896143 /nfs/dbraw/zinc/89/61/43/351896143.db2.gz MNOUUFKIJQGHCM-UHFFFAOYSA-N 0 3 298.337 2.049 20 30 CEEDHN C=CCC(C)(C)CNCc1cn(C[C@H]2CCOC2)nn1 ZINC000631143358 351985119 /nfs/dbraw/zinc/98/51/19/351985119.db2.gz RFBYXCBSTMJNGH-CYBMUJFWSA-N 0 3 278.400 2.007 20 30 CEEDHN C=CCN(C[C@H](O)COCc1ccccc1F)C1CC1 ZINC000271523765 191191394 /nfs/dbraw/zinc/19/13/94/191191394.db2.gz WDTPWGDBZBPTEL-HNNXBMFYSA-N 0 3 279.355 2.354 20 30 CEEDHN C#CC[C@@H](N[C@@H](C)CC(=O)N(C)C)c1ccccc1 ZINC000271534363 191198148 /nfs/dbraw/zinc/19/81/48/191198148.db2.gz QCQSDWYPMWWNCR-DZGCQCFKSA-N 0 3 258.365 2.207 20 30 CEEDHN CCOc1ccc(C#N)cc1NC(=O)C1CCN(C)CC1 ZINC000073054592 363195610 /nfs/dbraw/zinc/19/56/10/363195610.db2.gz KFWOHZHFNYYNGQ-UHFFFAOYSA-N 0 3 287.363 2.237 20 30 CEEDHN C#CCSCCNCc1ccc(OC)c(F)c1 ZINC000152915212 188052638 /nfs/dbraw/zinc/05/26/38/188052638.db2.gz KEJBSGORXQQBEM-UHFFFAOYSA-N 0 3 253.342 2.290 20 30 CEEDHN Fc1ccc(C#CCN2CCN(CC3CC3)CC2)cc1 ZINC000156240308 188250824 /nfs/dbraw/zinc/25/08/24/188250824.db2.gz ZATWZHBQUIGTER-UHFFFAOYSA-N 0 3 272.367 2.205 20 30 CEEDHN C=CCCC[C@@H](C)N(C)[C@@H]1CCN(CC=C)C1=O ZINC000337223487 366087654 /nfs/dbraw/zinc/08/76/54/366087654.db2.gz MTDGUURFWTUIME-ZIAGYGMSSA-N 0 3 250.386 2.450 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@](O)(C2CC2)C1 ZINC000336425113 213285776 /nfs/dbraw/zinc/28/57/76/213285776.db2.gz JXFXPXMACGTIPO-MLGOLLRUSA-N 0 3 256.349 2.466 20 30 CEEDHN COc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc(C)n1 ZINC000337351871 366143494 /nfs/dbraw/zinc/14/34/94/366143494.db2.gz XEYGYXIAOOUSDR-ZDUSSCGKSA-N 0 3 296.330 2.296 20 30 CEEDHN N#Cc1cccc(CNC2(CO)Cc3ccccc3C2)c1 ZINC000074326087 363325118 /nfs/dbraw/zinc/32/51/18/363325118.db2.gz UGHFNSGQBWFUBC-UHFFFAOYSA-N 0 3 278.355 2.178 20 30 CEEDHN C=CCn1c(C(C)C)nnc1N1CCN(CC(C)C)CC1 ZINC000337707651 366169307 /nfs/dbraw/zinc/16/93/07/366169307.db2.gz AJAIRXMIKIGOIR-UHFFFAOYSA-N 0 3 291.443 2.366 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NCc2ccccc2Cn2cncn2)C1 ZINC000337826462 366176819 /nfs/dbraw/zinc/17/68/19/366176819.db2.gz WHSLTLJNEBCPPM-RHSMWYFYSA-N 0 3 295.390 2.498 20 30 CEEDHN C#CC[C@H](NCC[C@@H]1CCOC1=O)c1ccccc1 ZINC000271748305 191303237 /nfs/dbraw/zinc/30/32/37/191303237.db2.gz WYHQGNRSNATZJB-CABCVRRESA-N 0 3 257.333 2.294 20 30 CEEDHN N#Cc1c(F)cccc1N1CC[C@@H](N2CCCC2)C1 ZINC000072089566 283075704 /nfs/dbraw/zinc/07/57/04/283075704.db2.gz ZKRKQNBHBSKXOT-GFCCVEGCSA-N 0 3 259.328 2.372 20 30 CEEDHN C#CCCN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000271782259 191322329 /nfs/dbraw/zinc/32/23/29/191322329.db2.gz ICSLKKBMIQUJDN-ZDUSSCGKSA-N 0 3 256.349 2.487 20 30 CEEDHN C=CCCN[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271784270 191323620 /nfs/dbraw/zinc/32/36/20/191323620.db2.gz GNDOGRMZIBBLQV-LBPRGKRZSA-N 0 3 282.409 2.164 20 30 CEEDHN C[C@H](NC[C@H](O)c1cccnc1)c1ccc(C#N)cc1 ZINC000271871511 191380404 /nfs/dbraw/zinc/38/04/04/191380404.db2.gz MVOMPWWJIRPAMJ-LRDDRELGSA-N 0 3 267.332 2.337 20 30 CEEDHN C=CC[C@H](CO)NCc1cnc([C@H]2CCCO2)s1 ZINC000273542983 192194771 /nfs/dbraw/zinc/19/47/71/192194771.db2.gz XGQJHLNXAFFQPO-ZYHUDNBSSA-N 0 3 268.382 2.021 20 30 CEEDHN COCCOC[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000075949816 363500346 /nfs/dbraw/zinc/50/03/46/363500346.db2.gz WIAWOMNVSOCLTP-INIZCTEOSA-N 0 3 274.364 2.043 20 30 CEEDHN C=CCCCN(C)CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000076734037 363543640 /nfs/dbraw/zinc/54/36/40/363543640.db2.gz GZJZZVXVCZJYFA-OKILXGFUSA-N 0 3 252.402 2.389 20 30 CEEDHN C=CCCCN(C)CC(=O)NC(C1CC1)C1CC1 ZINC000076735933 363544264 /nfs/dbraw/zinc/54/42/64/363544264.db2.gz SCOSKYMWNRQGEI-UHFFFAOYSA-N 0 3 250.386 2.189 20 30 CEEDHN CCC(CC)(CCO)NCC(=O)Nc1ccc(C#N)cc1 ZINC000338372691 366325410 /nfs/dbraw/zinc/32/54/10/366325410.db2.gz SYURNSMTUTXSJC-UHFFFAOYSA-N 0 3 289.379 2.028 20 30 CEEDHN C[C@H]1CCCN(Cc2ccc(C#N)s2)[C@@H]1CO ZINC000575812082 366363606 /nfs/dbraw/zinc/36/36/06/366363606.db2.gz HZNCMZUEMHUGNI-GXFFZTMASA-N 0 3 250.367 2.213 20 30 CEEDHN C[C@@H]1[C@@H](C)N(Cc2ccc(C#N)c(F)c2)CCN1C ZINC000336311067 213153769 /nfs/dbraw/zinc/15/37/69/213153769.db2.gz LKBZIDVWTCBFCO-VXGBXAGGSA-N 0 3 261.344 2.222 20 30 CEEDHN COC(=O)[C@H]1CC[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000577922163 366414859 /nfs/dbraw/zinc/41/48/59/366414859.db2.gz HGTQJQLFFQIADB-SQWLQELKSA-N 0 3 284.359 2.477 20 30 CEEDHN CN(CCC1CC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000135263993 366417492 /nfs/dbraw/zinc/41/74/92/366417492.db2.gz BVQNFLFJMYUGJG-MRXNPFEDSA-N 0 3 283.375 2.395 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1N1CC[C@@H](CN(C)C)C1 ZINC000338689580 366470893 /nfs/dbraw/zinc/47/08/93/366470893.db2.gz OCMZJYDGAGOKBC-AWEZNQCLSA-N 0 3 271.364 2.149 20 30 CEEDHN Cc1ccc(N2CC[C@@]3(C2)CCCN(C)C3)nc1C#N ZINC000338749110 366501362 /nfs/dbraw/zinc/50/13/62/366501362.db2.gz NCAMDASLSQDKOH-INIZCTEOSA-N 0 3 270.380 2.184 20 30 CEEDHN CCN(CCC#N)C(=O)CN(C)[C@H]1CCC[C@H](C)C1 ZINC000079962240 363636664 /nfs/dbraw/zinc/63/66/64/363636664.db2.gz RDIDAYPGNFBSDC-KBPBESRZSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671760625 540504683 /nfs/dbraw/zinc/50/46/83/540504683.db2.gz VRLCHHASOFLXTJ-ONGXEEELSA-N 0 3 262.309 2.121 20 30 CEEDHN C=CCC[C@@H](NCCC1CS(=O)(=O)C1)c1ccco1 ZINC000671762012 540505172 /nfs/dbraw/zinc/50/51/72/540505172.db2.gz QUWJXWGGBKJOQG-CYBMUJFWSA-N 0 3 283.393 2.311 20 30 CEEDHN C[C@H]1[C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])CCCN1C ZINC000341564233 216015071 /nfs/dbraw/zinc/01/50/71/216015071.db2.gz LLFJMHNRERMISW-CMPLNLGQSA-N 0 3 274.324 2.361 20 30 CEEDHN Cc1cc(CN[C@H]2CCN(CC(F)F)C2)ccc1C#N ZINC000418139339 237318388 /nfs/dbraw/zinc/31/83/88/237318388.db2.gz ULXZLFRSJLQSKH-AWEZNQCLSA-N 0 3 279.334 2.296 20 30 CEEDHN CCC#C[C@@H](C)N1CCC[C@@H](CCNC(C)=O)C1 ZINC000672576567 540628258 /nfs/dbraw/zinc/62/82/58/540628258.db2.gz NMHVQHIFWNIDIA-HIFRSBDPSA-N 0 3 250.386 2.027 20 30 CEEDHN C=C(C)CN(CC)CCc1nnnn1-c1ccccc1 ZINC000338946754 366583833 /nfs/dbraw/zinc/58/38/33/366583833.db2.gz BKOILRSDZBJCDZ-UHFFFAOYSA-N 0 3 271.368 2.103 20 30 CEEDHN Cn1nccc1[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000338915957 366569389 /nfs/dbraw/zinc/56/93/89/366569389.db2.gz KEQDLJAZLPLFSV-MCIONIFRSA-N 0 3 258.369 2.292 20 30 CEEDHN C=CCN1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000177740262 189066382 /nfs/dbraw/zinc/06/63/82/189066382.db2.gz LMLFQVDGUREMDR-CYBMUJFWSA-N 0 3 259.353 2.227 20 30 CEEDHN C#CCOc1ccccc1CN1CCC(C)(O)CC1 ZINC000179725702 189216830 /nfs/dbraw/zinc/21/68/30/189216830.db2.gz NGWYUNWHBHXBDT-UHFFFAOYSA-N 0 3 259.349 2.045 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC2(CCOC2)CC1 ZINC000677720895 541037341 /nfs/dbraw/zinc/03/73/41/541037341.db2.gz RYAZNJRHVQTYLL-HNNXBMFYSA-N 0 3 294.439 2.302 20 30 CEEDHN COCC#CCN1CC[C@H](c2ccc(OC)cc2)C1 ZINC000677818265 541046590 /nfs/dbraw/zinc/04/65/90/541046590.db2.gz IGQQCGXBNKUQBI-HNNXBMFYSA-N 0 3 259.349 2.134 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cc3cccnc3[nH]2)CC1 ZINC000579928662 366723898 /nfs/dbraw/zinc/72/38/98/366723898.db2.gz LANNCGBWAIXEDO-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN CC(C)N1C[C@H](N[C@@H]2CCc3ccc(C#N)cc32)CC1=O ZINC000580015949 366736476 /nfs/dbraw/zinc/73/64/76/366736476.db2.gz JOJMKQGYOYEDFK-GDBMZVCRSA-N 0 3 283.375 2.144 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(CC)C[C@@H]1CCOC1 ZINC000677887129 541053072 /nfs/dbraw/zinc/05/30/72/541053072.db2.gz ZMZXTJLJFGUXIP-GJZGRUSLSA-N 0 3 282.428 2.158 20 30 CEEDHN C[C@@H]1CC[C@H](N(CCO)Cc2cnc3ccc(C#N)cn23)C1 ZINC000356372697 370683976 /nfs/dbraw/zinc/68/39/76/370683976.db2.gz UOXNQNFCVVSOKO-HIFRSBDPSA-N 0 3 298.390 2.189 20 30 CEEDHN C=C(C)[C@@H](CO)N(CC)C[C@@H]1COc2ccccc2O1 ZINC000677950891 541061185 /nfs/dbraw/zinc/06/11/85/541061185.db2.gz CORCZFRHRHICBL-ZIAGYGMSSA-N 0 3 277.364 2.085 20 30 CEEDHN Cc1csc(C(C#N)C(=O)c2cc(C#N)cn2C)n1 ZINC000083763194 363786143 /nfs/dbraw/zinc/78/61/43/363786143.db2.gz VHCJRUXOZCLIRT-SNVBAGLBSA-N 0 3 270.317 2.152 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCSC(C)(C)C2)CC1 ZINC000083655149 363782530 /nfs/dbraw/zinc/78/25/30/363782530.db2.gz WUTWFARJHXCUFU-UHFFFAOYSA-N 0 3 297.468 2.174 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000678049468 541072503 /nfs/dbraw/zinc/07/25/03/541072503.db2.gz KQAKPHNKLZTAFF-CVEARBPZSA-N 0 3 260.381 2.500 20 30 CEEDHN C=CCOc1ccc(CN[C@@](C)(CO)COC)cc1Cl ZINC000679117168 541217103 /nfs/dbraw/zinc/21/71/03/541217103.db2.gz GHGVYXNQQBTZJC-HNNXBMFYSA-N 0 3 299.798 2.392 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H]1CNCc2ccccc21 ZINC000087616782 363862243 /nfs/dbraw/zinc/86/22/43/363862243.db2.gz SQTWYSHXODFUNG-HNNXBMFYSA-N 0 3 256.349 2.074 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(OC)cc1 ZINC000088218784 363883269 /nfs/dbraw/zinc/88/32/69/363883269.db2.gz LABZDZNGRWRMKZ-NWDGAFQWSA-N 0 3 262.353 2.037 20 30 CEEDHN COC[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000093338075 364166109 /nfs/dbraw/zinc/16/61/09/364166109.db2.gz FWZKGYLHCQXNBM-NSHDSACASA-N 0 3 250.367 2.478 20 30 CEEDHN COCCOC[C@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000093755570 364222825 /nfs/dbraw/zinc/22/28/25/364222825.db2.gz DFZARXOSAVVINC-LBPRGKRZSA-N 0 3 280.393 2.105 20 30 CEEDHN C#CCOc1ccccc1CN1CC[C@](C)(C(=O)OC)C1 ZINC000093813869 364229754 /nfs/dbraw/zinc/22/97/54/364229754.db2.gz QHVOEDUMGUFBTE-KRWDZBQOSA-N 0 3 287.359 2.084 20 30 CEEDHN C=CCN(CCCN1CCOCC1)Cc1ccccc1 ZINC000157620363 366847458 /nfs/dbraw/zinc/84/74/58/366847458.db2.gz MRLNHCCKPFLIJW-UHFFFAOYSA-N 0 3 274.408 2.397 20 30 CEEDHN CC(C#N)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000335102880 364480212 /nfs/dbraw/zinc/48/02/12/364480212.db2.gz APWFFHFNAUSXMS-JTQLQIEISA-N 0 3 253.305 2.212 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC2(CNC(=O)N2C)CC1 ZINC000335115194 364498010 /nfs/dbraw/zinc/49/80/10/364498010.db2.gz CXKGTJKRMXNINN-CYBMUJFWSA-N 0 3 298.390 2.109 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)C2CCN(C)CC2)c1 ZINC000335119043 364503082 /nfs/dbraw/zinc/50/30/82/364503082.db2.gz PZDIOGGGYVGVNJ-UHFFFAOYSA-N 0 3 257.337 2.147 20 30 CEEDHN Cn1cc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1C#N ZINC000335156612 364553487 /nfs/dbraw/zinc/55/34/87/364553487.db2.gz OXZCMDWGRXZDRR-DLBZAZTESA-N 0 3 287.407 2.270 20 30 CEEDHN Cn1ccnc1[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000335179308 364583236 /nfs/dbraw/zinc/58/32/36/364583236.db2.gz RKRDPHFPNWEMID-AWEZNQCLSA-N 0 3 284.338 2.420 20 30 CEEDHN C=CCNC(=O)CN[C@@H](c1ccc(OC)cc1)C(C)C ZINC000102693171 364606411 /nfs/dbraw/zinc/60/64/11/364606411.db2.gz TWFWZLKEXOEBDV-MRXNPFEDSA-N 0 3 276.380 2.284 20 30 CEEDHN C[C@H]1CN(Cc2cc(C#N)ccc2F)[C@@H](C)CN1C ZINC000335328399 364687076 /nfs/dbraw/zinc/68/70/76/364687076.db2.gz LJKKJZYHDIRZAS-RYUDHWBXSA-N 0 3 261.344 2.222 20 30 CEEDHN Cc1ccc([O-])c(CNCc2cccc(C#N)c2)n1 ZINC000103341952 364642096 /nfs/dbraw/zinc/64/20/96/364642096.db2.gz NOJZTJJHDOETLS-UHFFFAOYSA-N 0 3 253.305 2.257 20 30 CEEDHN Cc1ccc(O)c(CNCc2cccc(C#N)c2)n1 ZINC000103341952 364642105 /nfs/dbraw/zinc/64/21/05/364642105.db2.gz NOJZTJJHDOETLS-UHFFFAOYSA-N 0 3 253.305 2.257 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)Nc1ccc(C#N)cc1 ZINC000103503806 364662011 /nfs/dbraw/zinc/66/20/11/364662011.db2.gz BPINCHGMAWVUKL-UHFFFAOYSA-N 0 3 286.379 2.364 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000335292084 364679726 /nfs/dbraw/zinc/67/97/26/364679726.db2.gz KRFMXRLLOZGYLC-JSGCOSHPSA-N 0 3 257.337 2.249 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000335315755 364684130 /nfs/dbraw/zinc/68/41/30/364684130.db2.gz WHYRQBCIXZEVHB-ZFWWWQNUSA-N 0 3 250.386 2.143 20 30 CEEDHN C=CC1CCN(C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000111856447 364766073 /nfs/dbraw/zinc/76/60/73/364766073.db2.gz RTYYXZUBKAWTAI-LBPRGKRZSA-N 0 3 265.401 2.077 20 30 CEEDHN C=C(CC)CNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000335576057 364807640 /nfs/dbraw/zinc/80/76/40/364807640.db2.gz CPFDWDSVUSVPJW-UONOGXRCSA-N 0 3 265.401 2.078 20 30 CEEDHN C=C(CC)CNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000335576076 364807709 /nfs/dbraw/zinc/80/77/09/364807709.db2.gz DDKUOFOHHJXATB-OAHLLOKOSA-N 0 3 265.401 2.080 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@@H](CC)c1c(C)nn(C)c1C ZINC000680400038 541408561 /nfs/dbraw/zinc/40/85/61/541408561.db2.gz MRMQEJFYIKAZPI-QWHCGFSZSA-N 0 3 251.374 2.015 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc(OC)ccc1OC(F)F ZINC000680484501 541418424 /nfs/dbraw/zinc/41/84/24/541418424.db2.gz LAQASEVSRAAKSI-NSHDSACASA-N 0 3 287.306 2.323 20 30 CEEDHN C=CC[C@H](CO)NCc1c(F)cccc1N1CCCC1 ZINC000680484904 541418595 /nfs/dbraw/zinc/41/85/95/541418595.db2.gz QPJCJCMRTXXJRR-CYBMUJFWSA-N 0 3 278.371 2.453 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000335574842 212286411 /nfs/dbraw/zinc/28/64/11/212286411.db2.gz JWVHOXUFFXHCFF-QGZVFWFLSA-N 0 3 298.390 2.426 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C[C@H](C)SC)CC1 ZINC000119094631 365215717 /nfs/dbraw/zinc/21/57/17/365215717.db2.gz NNJSWGGSEBNTRF-LBPRGKRZSA-N 0 3 270.442 2.285 20 30 CEEDHN C[C@H](Cc1cnccn1)NCc1cccc(C#N)c1 ZINC000340437018 366884348 /nfs/dbraw/zinc/88/43/48/366884348.db2.gz QOHUOZHICONBEL-GFCCVEGCSA-N 0 3 252.321 2.069 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)Nc2cccc(C#N)c2)CN1C1CC1 ZINC000119848062 365334242 /nfs/dbraw/zinc/33/42/42/365334242.db2.gz JQLXLKHQOLIWKQ-RISCZKNCSA-N 0 3 284.363 2.305 20 30 CEEDHN CCN(Cc1ccc(C#N)cc1OC)CC(C)(C)O ZINC000120974643 365505792 /nfs/dbraw/zinc/50/57/92/365505792.db2.gz OUWWUWNZWRJBFJ-UHFFFAOYSA-N 0 3 262.353 2.160 20 30 CEEDHN CC[C@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000340693059 366990889 /nfs/dbraw/zinc/99/08/89/366990889.db2.gz XINQNDNWVRVOSW-HNNXBMFYSA-N 0 3 271.364 2.049 20 30 CEEDHN N#Cc1cccc(CNC2(CO)Cc3ccccc3C2)c1F ZINC000340912814 367085866 /nfs/dbraw/zinc/08/58/66/367085866.db2.gz SWHVUDCWHSWLAN-UHFFFAOYSA-N 0 3 296.345 2.317 20 30 CEEDHN N#Cc1cnn2cc(CN3C[C@H](C4CC4)[C@@H]3C3CC3)cnc12 ZINC000584530091 367169176 /nfs/dbraw/zinc/16/91/76/367169176.db2.gz LEZPHQUTOPVRFK-CVEARBPZSA-N 0 3 293.374 2.221 20 30 CEEDHN C[C@H](N[C@@H]1C=C[C@@H](CO)C1)c1ccc(C#N)c(F)c1 ZINC000341246911 367243090 /nfs/dbraw/zinc/24/30/90/367243090.db2.gz MRAAKGDRRHJYBD-MISXGVKJSA-N 0 3 260.312 2.285 20 30 CEEDHN CCN1C[C@@H](C)N(c2cc(C#N)cc(C)n2)C[C@H]1C ZINC000342468620 367411653 /nfs/dbraw/zinc/41/16/53/367411653.db2.gz FLHSWFHQSIAWCD-CHWSQXEVSA-N 0 3 258.369 2.181 20 30 CEEDHN CN(C[C@H]1CCN(CCCC#N)C1)C(=O)OC(C)(C)C ZINC000170918266 367449187 /nfs/dbraw/zinc/44/91/87/367449187.db2.gz LVKYNAGCRHILIO-CYBMUJFWSA-N 0 3 281.400 2.479 20 30 CEEDHN CC(C)N(CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000342618044 367453249 /nfs/dbraw/zinc/45/32/49/367453249.db2.gz LBLZBBZFLUHVBD-UHFFFAOYSA-N 0 3 271.364 2.047 20 30 CEEDHN CCOC[C@H](NCc1cnc2ccc(C#N)cn12)C(C)C ZINC000342712101 367496492 /nfs/dbraw/zinc/49/64/92/367496492.db2.gz ZGJPSIYWOHWGGY-HNNXBMFYSA-N 0 3 286.379 2.357 20 30 CEEDHN CC[C@@H](CSC)NCc1cnc2ccc(C#N)cn12 ZINC000342801056 367545912 /nfs/dbraw/zinc/54/59/12/367545912.db2.gz WCQVMHIJNLQVPK-LBPRGKRZSA-N 0 3 274.393 2.437 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)/C=C/c1ccccc1C#N ZINC000171563377 367567247 /nfs/dbraw/zinc/56/72/47/367567247.db2.gz LYXAPDSBIRFCPK-BQYQJAHWSA-N 0 3 297.402 2.372 20 30 CEEDHN C=CCCN(C)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000342735199 367506473 /nfs/dbraw/zinc/50/64/73/367506473.db2.gz OQYQREAJULQDPX-MJBXVCDLSA-N 0 3 252.402 2.387 20 30 CEEDHN CO[C@@H]1CCCC[C@H]1NCc1cnc2ccc(C#N)cn12 ZINC000342736526 367507541 /nfs/dbraw/zinc/50/75/41/367507541.db2.gz XZXLFLCFXZDSSN-HUUCEWRRSA-N 0 3 284.363 2.253 20 30 CEEDHN C=CCCN(C)[C@H](C)C(=O)NCCc1ccccc1 ZINC000342766674 367521886 /nfs/dbraw/zinc/52/18/86/367521886.db2.gz UXYTXDKBXZJHJN-CQSZACIVSA-N 0 3 260.381 2.242 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000681479983 541553269 /nfs/dbraw/zinc/55/32/69/541553269.db2.gz LOBICCYMUSGIEJ-DLBZAZTESA-N 0 3 273.376 2.445 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2ccc3c(c2)CCC3)CC1 ZINC000171726287 367604671 /nfs/dbraw/zinc/60/46/71/367604671.db2.gz VRIDAWZGTRXYHY-UHFFFAOYSA-N 0 3 298.430 2.484 20 30 CEEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC000572497538 299374443 /nfs/dbraw/zinc/37/44/43/299374443.db2.gz SWDGGEYPGKKYIF-ZFWWWQNUSA-N 0 3 293.374 2.018 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000343352534 367767835 /nfs/dbraw/zinc/76/78/35/367767835.db2.gz VSAQPDPTJUJGSL-BZHVJNSISA-N 0 3 280.274 2.071 20 30 CEEDHN CCN1CCC[C@@H]1CNc1ncc(Cl)c(C)c1C#N ZINC000343431791 367811568 /nfs/dbraw/zinc/81/15/68/367811568.db2.gz HENBVEKNWFKNMP-LLVKDONJSA-N 0 3 278.787 2.233 20 30 CEEDHN C[C@H]1[C@H](Nc2c(C#N)nnc3ccccc32)CCCN1C ZINC000343476926 367836968 /nfs/dbraw/zinc/83/69/68/367836968.db2.gz WYJAWAANDTYJIJ-WCQYABFASA-N 0 3 281.363 2.396 20 30 CEEDHN C[C@@](O)(CN[C@@H]1CCc2ccc(C#N)cc21)C(F)(F)F ZINC000353270765 220001074 /nfs/dbraw/zinc/00/10/74/220001074.db2.gz WXSRDTZJUNTDND-CHWSQXEVSA-N 0 3 284.281 2.448 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](NCCNC(=O)c1ccco1)CC2 ZINC000353277636 220004631 /nfs/dbraw/zinc/00/46/31/220004631.db2.gz PGXIJXBLKOWNSU-HNNXBMFYSA-N 0 3 295.342 2.158 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)NCC1=CCN(C)CC1 ZINC000343812929 368018766 /nfs/dbraw/zinc/01/87/66/368018766.db2.gz NQVLLGNNSPBWKZ-CYBMUJFWSA-N 0 3 265.401 2.292 20 30 CEEDHN CN1CCC(CC(=O)N2CCc3c2cccc3C#N)CC1 ZINC000335513385 212199185 /nfs/dbraw/zinc/19/91/85/212199185.db2.gz VMIJHDRBOCMGMC-UHFFFAOYSA-N 0 3 283.375 2.179 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NCCN1CCCCC1 ZINC000345378362 368254756 /nfs/dbraw/zinc/25/47/56/368254756.db2.gz VUZVDVXLQDKBBB-CYBMUJFWSA-N 0 3 253.390 2.126 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)NCc1ccco1 ZINC000180510263 368384677 /nfs/dbraw/zinc/38/46/77/368384677.db2.gz AQCYYQNPUFWDIC-GFCCVEGCSA-N 0 3 294.314 2.090 20 30 CEEDHN CCNC(=O)N1CC[C@@H](N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000182018757 368515497 /nfs/dbraw/zinc/51/54/97/368515497.db2.gz AUQUFNRZURSVBA-SWLSCSKDSA-N 0 3 286.379 2.013 20 30 CEEDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1cccc(C#N)c1 ZINC000182353519 368556370 /nfs/dbraw/zinc/55/63/70/368556370.db2.gz QXVITSYUWRDVFH-HUUCEWRRSA-N 0 3 292.404 2.004 20 30 CEEDHN C[C@H](NCC1(C(N)=O)CCCC1)c1ccc(C#N)c(F)c1 ZINC000346227406 368599330 /nfs/dbraw/zinc/59/93/30/368599330.db2.gz YNLQFLDSGBNHIL-NSHDSACASA-N 0 3 289.354 2.394 20 30 CEEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)CC(C)(C)C#N)C[C@@H](C)C1 ZINC000346260480 368609846 /nfs/dbraw/zinc/60/98/46/368609846.db2.gz LTYQBFFJGGRUTH-BFHYXJOUSA-N 0 3 277.412 2.115 20 30 CEEDHN CCCN(CC(=O)N[C@@](C)(C#N)C1CC1)CC(C)C ZINC000346589995 368726383 /nfs/dbraw/zinc/72/63/83/368726383.db2.gz DIYGCRNYZYJMLQ-HNNXBMFYSA-N 0 3 265.401 2.163 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000346450531 368679170 /nfs/dbraw/zinc/67/91/70/368679170.db2.gz OYLVZHMYTUYBLS-RWMBFGLXSA-N 0 3 253.390 2.123 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](C(C)(C)C)C1 ZINC000346599678 368729590 /nfs/dbraw/zinc/72/95/90/368729590.db2.gz GQPINSHPZHOTKX-STQMWFEESA-N 0 3 277.412 2.305 20 30 CEEDHN CCO[C@H]1C[C@](CO)(NCCC(C)(C)C#N)C1(C)C ZINC000347186145 368801619 /nfs/dbraw/zinc/80/16/19/368801619.db2.gz DABDFABFQHVYDV-SWLSCSKDSA-N 0 3 268.401 2.082 20 30 CEEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H](C)C#N ZINC000347790502 368820198 /nfs/dbraw/zinc/82/01/98/368820198.db2.gz DXEMVKQTMRJDQF-ZBFHGGJFSA-N 0 3 287.407 2.419 20 30 CEEDHN C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H](c1ccccc1)N(C)C ZINC000185942394 368891200 /nfs/dbraw/zinc/89/12/00/368891200.db2.gz MCOWVQXLGOMRCD-WBMJQRKESA-N 0 3 296.374 2.308 20 30 CEEDHN C=C(CC)CN(C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000348108513 368902007 /nfs/dbraw/zinc/90/20/07/368902007.db2.gz SVHRZOBUEYLDEL-GJZGRUSLSA-N 0 3 292.402 2.287 20 30 CEEDHN C=C(CC)CN(C)C[C@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000348108514 368902160 /nfs/dbraw/zinc/90/21/60/368902160.db2.gz SVHRZOBUEYLDEL-HUUCEWRRSA-N 0 3 292.402 2.287 20 30 CEEDHN CN(Cc1ccc(F)cc1C#N)[C@@H]1CCN(C2CC2)C1 ZINC000348201646 368947182 /nfs/dbraw/zinc/94/71/82/368947182.db2.gz XEGHYCPKMMOCJU-MRXNPFEDSA-N 0 3 273.355 2.366 20 30 CEEDHN CCN1CCC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000186673717 369016464 /nfs/dbraw/zinc/01/64/64/369016464.db2.gz ZMIQKWDWNRZBBU-INIZCTEOSA-N 0 3 297.402 2.190 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000186704545 369023734 /nfs/dbraw/zinc/02/37/34/369023734.db2.gz RFVLMKXSJKATOC-DGCLKSJQSA-N 0 3 295.379 2.300 20 30 CEEDHN CC(C)[C@H]1CN(C)CCN1CCOc1ccccc1C#N ZINC000348582477 369095689 /nfs/dbraw/zinc/09/56/89/369095689.db2.gz VCTVLGLECFJYNT-MRXNPFEDSA-N 0 3 287.407 2.209 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc2c(c1)COC(C)(C)O2 ZINC000187518860 369171640 /nfs/dbraw/zinc/17/16/40/369171640.db2.gz MVUWLHHBLYUYRV-AWEZNQCLSA-N 0 3 277.364 2.358 20 30 CEEDHN CC[C@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000330714405 203145469 /nfs/dbraw/zinc/14/54/69/203145469.db2.gz ZZCVCTJDORZBJQ-AWEZNQCLSA-N 0 3 285.391 2.296 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000187701648 369206915 /nfs/dbraw/zinc/20/69/15/369206915.db2.gz NUGPNIRIWNTVPQ-DOTOQJQBSA-N 0 3 299.418 2.273 20 30 CEEDHN CCCCN(CC)CC(=O)NCc1cccc(C#N)c1 ZINC000349143646 369251725 /nfs/dbraw/zinc/25/17/25/369251725.db2.gz MQVJXZNPWQPWQQ-UHFFFAOYSA-N 0 3 273.380 2.296 20 30 CEEDHN C=CC[C@H](CO)CN[C@@H](c1ccccc1)c1cncnc1 ZINC000349771763 369395188 /nfs/dbraw/zinc/39/51/88/369395188.db2.gz ABLHUXIKMPBEFH-YOEHRIQHSA-N 0 3 283.375 2.340 20 30 CEEDHN C=CCCN(C)Cc1cc(OC)c2c(c1)OCCO2 ZINC000276169337 193231986 /nfs/dbraw/zinc/23/19/86/193231986.db2.gz SHVMWONZVKWNDO-UHFFFAOYSA-N 0 3 263.337 2.474 20 30 CEEDHN C=CCCN(C)CC(=O)N(C)Cc1ccccc1OC ZINC000276384870 193309876 /nfs/dbraw/zinc/30/98/76/193309876.db2.gz IPIZMEKYTKJONQ-UHFFFAOYSA-N 0 3 276.380 2.162 20 30 CEEDHN C[C@@H](CNC(=O)CC(C)(C)C#N)N1CCCC[C@H]1C ZINC000351538603 369640081 /nfs/dbraw/zinc/64/00/81/369640081.db2.gz UMXGEMMSCYIBES-OLZOCXBDSA-N 0 3 265.401 2.305 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000351640420 369644972 /nfs/dbraw/zinc/64/49/72/369644972.db2.gz HNFTXVYBUFTPNM-HIFRSBDPSA-N 0 3 265.401 2.163 20 30 CEEDHN C=CCC1(C(=O)NC2CCN(CCCOC)CC2)CCC1 ZINC000191077462 369675999 /nfs/dbraw/zinc/67/59/99/369675999.db2.gz LLEPPYBWCYQDNB-UHFFFAOYSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CCN(CCOC)CCC(=O)Nc1cccc(OC)c1 ZINC000191122109 369680276 /nfs/dbraw/zinc/68/02/76/369680276.db2.gz WYNADLHPORSRSG-UHFFFAOYSA-N 0 3 292.379 2.158 20 30 CEEDHN CN(CCCCO)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000276524107 193367128 /nfs/dbraw/zinc/36/71/28/193367128.db2.gz CIJHKSUFSVRTAN-UHFFFAOYSA-N 0 3 298.390 2.163 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)N[C@H](CC)CN2CCCC2)C1 ZINC000636921962 369768352 /nfs/dbraw/zinc/76/83/52/369768352.db2.gz OUHMTRPJHXXFCA-LSDHHAIUSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCC=C(C)C)CC1 ZINC000276567383 193384298 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280.368 2.088 20 30 CEEDHN C#CCOc1ccc(CNCC2([S@](C)=O)CCC2)cc1 ZINC000280696238 375287345 /nfs/dbraw/zinc/28/73/45/375287345.db2.gz SABVYPYFPLBPBW-FQEVSTJZSA-N 0 3 291.416 2.089 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000280817880 375332350 /nfs/dbraw/zinc/33/23/50/375332350.db2.gz URGBMBHTMPAUCM-LBPRGKRZSA-N 0 3 277.368 2.166 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cnc3cnccc3c2)CC1 ZINC000281235180 375365758 /nfs/dbraw/zinc/36/57/58/375365758.db2.gz LIDHILGVBLSCPA-UHFFFAOYSA-N 0 3 296.374 2.010 20 30 CEEDHN Cc1cc(C#N)nc(N2CCN(C3CCC(C)CC3)CC2)n1 ZINC000408102540 375409261 /nfs/dbraw/zinc/40/92/61/375409261.db2.gz GIDZADBGSVOCHZ-UHFFFAOYSA-N 0 3 299.422 2.357 20 30 CEEDHN COC(=O)CCN(Cc1ccc(C#N)c(OC)c1)C(C)C ZINC000282395265 375474312 /nfs/dbraw/zinc/47/43/12/375474312.db2.gz RIEBWECBGYJAGK-UHFFFAOYSA-N 0 3 290.363 2.340 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc2n(n1)CCC2 ZINC000414123900 375798008 /nfs/dbraw/zinc/79/80/08/375798008.db2.gz BSWLNQIIRGFTDE-XEZPLFJOSA-N 0 3 275.396 2.461 20 30 CEEDHN COc1cc(CN[C@@H]2CCCC(F)(F)[C@H]2O)ccc1C#N ZINC000414528553 375837243 /nfs/dbraw/zinc/83/72/43/375837243.db2.gz AVEZQLTZRADDBH-OCCSQVGLSA-N 0 3 296.317 2.205 20 30 CEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cccc(C#N)c1 ZINC000286653560 376027020 /nfs/dbraw/zinc/02/70/20/376027020.db2.gz BTVHYWVKDBEJPO-BBRMVZONSA-N 0 3 283.375 2.257 20 30 CEEDHN N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H](N)c2ccccc2)C1 ZINC000418274284 376257883 /nfs/dbraw/zinc/25/78/83/376257883.db2.gz SMNAXDNAAGXWAC-QEJZJMRPSA-N 0 3 286.379 2.068 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418634390 376317628 /nfs/dbraw/zinc/31/76/28/376317628.db2.gz JJLPQBPBTLSBSH-HNNXBMFYSA-N 0 3 273.380 2.091 20 30 CEEDHN C[C@H]1CN(Cc2nc(C#N)cs2)CCN(C2CCC2)C1 ZINC000419268905 376418265 /nfs/dbraw/zinc/41/82/65/376418265.db2.gz ARNGMCQFQQJAMF-LBPRGKRZSA-N 0 3 290.436 2.321 20 30 CEEDHN C#CCN(Cc1ccc(COCCOC)cc1)C1CC1 ZINC000289533580 376399731 /nfs/dbraw/zinc/39/97/31/376399731.db2.gz 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SCUVNUFMQCFIRA-UHFFFAOYSA-N 0 3 260.337 2.463 20 30 CEEDHN N#Cc1cccc(CN2CC[C@H](n3cccn3)C2)c1 ZINC000291272546 377153148 /nfs/dbraw/zinc/15/31/48/377153148.db2.gz NZCFZPMFQWHRFT-HNNXBMFYSA-N 0 3 252.321 2.202 20 30 CEEDHN CCN1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C#N ZINC000264821278 190136568 /nfs/dbraw/zinc/13/65/68/190136568.db2.gz XTLMVXNNSBBYPF-LBPRGKRZSA-N 0 3 289.339 2.148 20 30 CEEDHN CN(CCNc1ncc(C#N)cc1Cl)C1CC1 ZINC000264825691 190137315 /nfs/dbraw/zinc/13/73/15/190137315.db2.gz GWILADRIXPRQHP-UHFFFAOYSA-N 0 3 250.733 2.113 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)N1[C@H](C)CC[C@@H]1C ZINC000424975505 377318619 /nfs/dbraw/zinc/31/86/19/377318619.db2.gz HWRQMKDZXFLVCF-XHJNMGKDSA-N 0 3 263.385 2.056 20 30 CEEDHN CC(C)[C@@H](NCc1ccc(C#N)o1)C1(CO)CCC1 ZINC000292872805 377324860 /nfs/dbraw/zinc/32/48/60/377324860.db2.gz WPUJDZBNHBURQN-CQSZACIVSA-N 0 3 262.353 2.428 20 30 CEEDHN C#CCN(C)CCCNc1cncc(Br)c1 ZINC000292775566 377275411 /nfs/dbraw/zinc/27/54/11/377275411.db2.gz LKZJURSVPMBBPG-UHFFFAOYSA-N 0 3 282.185 2.211 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000424667900 377281847 /nfs/dbraw/zinc/28/18/47/377281847.db2.gz AHAROOWIXARAPU-CYBMUJFWSA-N 0 3 252.402 2.389 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000424814381 377297598 /nfs/dbraw/zinc/29/75/98/377297598.db2.gz VHGCAVWHFUKMEQ-CQSZACIVSA-N 0 3 282.428 2.206 20 30 CEEDHN C[C@@]1(CO)CCC[C@H]1NCc1ccc(F)c(C#N)c1 ZINC000331149240 377303329 /nfs/dbraw/zinc/30/33/29/377303329.db2.gz HXZIDIMCQGZXAQ-CABCVRRESA-N 0 3 262.328 2.338 20 30 CEEDHN Cc1cccc(C(=O)NC[C@H]2CCCCN2CCO)c1 ZINC000331323939 377377438 /nfs/dbraw/zinc/37/74/38/377377438.db2.gz LWYSZASLJOLIMP-OAHLLOKOSA-N 0 3 276.380 2.146 20 30 CEEDHN C#CCCNC(=O)NC[C@H](C(C)C)N(CC=C)CC=C ZINC000264960583 190147695 /nfs/dbraw/zinc/14/76/95/190147695.db2.gz APVZSNMKEBEJGC-OAHLLOKOSA-N 0 3 277.412 2.008 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1CNC ZINC000564842246 377474088 /nfs/dbraw/zinc/47/40/88/377474088.db2.gz JQPLXSJWZHIBFZ-ZFWWWQNUSA-N 0 3 289.379 2.119 20 30 CEEDHN COC[C@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000428054203 377480778 /nfs/dbraw/zinc/48/07/78/377480778.db2.gz NAHVNWJUNUVALO-SKDRFNHKSA-N 0 3 266.728 2.303 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCCC2(CCCC2)C1 ZINC000331711327 377491016 /nfs/dbraw/zinc/49/10/16/377491016.db2.gz YPJGLLVSFCUCCY-CYBMUJFWSA-N 0 3 293.411 2.043 20 30 CEEDHN C=CCN(C)CCN(CC)CC(=O)NC1CCC(C)CC1 ZINC000429719168 377519247 /nfs/dbraw/zinc/51/92/47/377519247.db2.gz OIPQRYNEQKNPNG-UHFFFAOYSA-N 0 3 295.471 2.121 20 30 CEEDHN COCC#CCN[C@H]1c2ccccc2CC12CCOCC2 ZINC000685599525 542166080 /nfs/dbraw/zinc/16/60/80/542166080.db2.gz KDJXPBARXQCCEO-KRWDZBQOSA-N 0 3 285.387 2.320 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCC#Cc1ccccc1 ZINC000265217085 190167109 /nfs/dbraw/zinc/16/71/09/190167109.db2.gz KAXIDRYQRQYVKU-KRWDZBQOSA-N 0 3 299.418 2.021 20 30 CEEDHN CC(C)[C@@H](C)N(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000332430092 377599105 /nfs/dbraw/zinc/59/91/05/377599105.db2.gz AMTODXGWBGIZGB-TZMCWYRMSA-N 0 3 253.390 2.017 20 30 CEEDHN Cc1c[nH]nc1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000291535041 249362187 /nfs/dbraw/zinc/36/21/87/249362187.db2.gz KQYRWIOIUAXPGH-UHFFFAOYSA-N 0 3 297.406 2.154 20 30 CEEDHN CCn1cc([C@H](C)NC[C@H](O)c2ccc(C#N)cc2)cn1 ZINC000295927473 249368845 /nfs/dbraw/zinc/36/88/45/249368845.db2.gz FTLVRRPBFPOCOT-LRDDRELGSA-N 0 3 284.363 2.159 20 30 CEEDHN CC(C)CN(C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000332503553 377625942 /nfs/dbraw/zinc/62/59/42/377625942.db2.gz UUSOQOUJXASNFG-GXTWGEPZSA-N 0 3 253.390 2.017 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000432095011 377713717 /nfs/dbraw/zinc/71/37/17/377713717.db2.gz ADYIASYDEQERJU-STQMWFEESA-N 0 3 267.417 2.371 20 30 CEEDHN N#CCCC[C@@H](NCC(=O)N1CCC1)c1ccccc1 ZINC000433025121 377777129 /nfs/dbraw/zinc/77/71/29/377777129.db2.gz HSFJKINBOMOCJW-OAHLLOKOSA-N 0 3 271.364 2.243 20 30 CEEDHN C=CCNC(=O)NC(=O)CN(C)C1CCC(C(C)C)CC1 ZINC000433136691 377779253 /nfs/dbraw/zinc/77/92/53/377779253.db2.gz QXLGDQRMVYWPAB-UHFFFAOYSA-N 0 3 295.427 2.145 20 30 CEEDHN CN(Cc1cnc2c(C#N)cnn2c1)CC1CCCC1 ZINC000567167063 377807725 /nfs/dbraw/zinc/80/77/25/377807725.db2.gz AIHJAYRSPOUMJR-UHFFFAOYSA-N 0 3 269.352 2.223 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccn(C(F)F)n1 ZINC000435742044 377810966 /nfs/dbraw/zinc/81/09/66/377810966.db2.gz LNRHQPKSLHYDNF-PWSUYJOCSA-N 0 3 271.311 2.349 20 30 CEEDHN C[C@](C#N)(NC(=O)CN(C1CCC1)C1CCC1)C1CC1 ZINC000567307278 377817083 /nfs/dbraw/zinc/81/70/83/377817083.db2.gz PVWJMKVMTDGXGC-MRXNPFEDSA-N 0 3 275.396 2.202 20 30 CEEDHN CC[C@](C)(CCO)NC(=O)C(C#N)CCc1ccccc1 ZINC000433379642 377791326 /nfs/dbraw/zinc/79/13/26/377791326.db2.gz ZQWLWYOOWIDXMT-NVXWUHKLSA-N 0 3 288.391 2.426 20 30 CEEDHN CCC(O)(CC)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433372794 377791620 /nfs/dbraw/zinc/79/16/20/377791620.db2.gz INKVBYPXSZPJNR-HNNXBMFYSA-N 0 3 288.391 2.426 20 30 CEEDHN COC1(CNC(=O)C(C#N)CCc2ccccc2)CCC1 ZINC000433374003 377791818 /nfs/dbraw/zinc/79/18/18/377791818.db2.gz LMDNCLOTTYESTK-HNNXBMFYSA-N 0 3 286.375 2.444 20 30 CEEDHN N#CCCCCNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000439839835 377928954 /nfs/dbraw/zinc/92/89/54/377928954.db2.gz HEKOFRLOQPGTEL-AWEZNQCLSA-N 0 3 263.385 2.203 20 30 CEEDHN C=CC[C@@H](C)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000439956335 377929190 /nfs/dbraw/zinc/92/91/90/377929190.db2.gz HSVGTPUVXTZLDE-OCCSQVGLSA-N 0 3 250.386 2.474 20 30 CEEDHN C#CCOc1ccc(CN[C@@H]2C[C@@H](C)O[C@H]2C)cc1 ZINC000294685664 378010362 /nfs/dbraw/zinc/01/03/62/378010362.db2.gz AEQMIKLHZQLZLT-DVOMOZLQSA-N 0 3 259.349 2.354 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(CCC)on2)CC1 ZINC000294661993 378004762 /nfs/dbraw/zinc/00/47/62/378004762.db2.gz QNDDINBGRQPNLN-UHFFFAOYSA-N 0 3 277.368 2.007 20 30 CEEDHN C=CCOc1ccc(CN(C)[C@@H](CC)CO)cc1OC ZINC000295126051 378043208 /nfs/dbraw/zinc/04/32/08/378043208.db2.gz NXBIRULOQKSJRL-AWEZNQCLSA-N 0 3 279.380 2.463 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1CC(=O)c1cccs1 ZINC000443675993 378069812 /nfs/dbraw/zinc/06/98/12/378069812.db2.gz TZOOWXIXOPJGHC-GHMZBOCLSA-N 0 3 276.361 2.472 20 30 CEEDHN C#CCN(C)CCCN[C@@H](C)c1ccnn1-c1ccccc1 ZINC000294881128 378026935 /nfs/dbraw/zinc/02/69/35/378026935.db2.gz DJIHJUCOOVGCBC-INIZCTEOSA-N 0 3 296.418 2.478 20 30 CEEDHN C#CCN(C)CCCN[C@H](C)c1ccnn1-c1ccccc1 ZINC000294881135 378026990 /nfs/dbraw/zinc/02/69/90/378026990.db2.gz DJIHJUCOOVGCBC-MRXNPFEDSA-N 0 3 296.418 2.478 20 30 CEEDHN C=CCCCNC(=O)NC[C@@H]1CCCCN1CC ZINC000447954911 378164136 /nfs/dbraw/zinc/16/41/36/378164136.db2.gz NDEIZLCYYPJBJB-ZDUSSCGKSA-N 0 3 253.390 2.126 20 30 CEEDHN CCC[C@H](O)CN1CCCN(c2ccccc2C#N)CC1 ZINC000295453550 378164580 /nfs/dbraw/zinc/16/45/80/378164580.db2.gz HGSOBDQFVKSJIH-INIZCTEOSA-N 0 3 287.407 2.231 20 30 CEEDHN C[C@H]1C[C@]1(C#N)C(=O)Nc1cccc(CN(C)C)c1 ZINC000448686905 378179356 /nfs/dbraw/zinc/17/93/56/378179356.db2.gz NOPAQPVCPWKBCU-XHDPSFHLSA-N 0 3 257.337 2.236 20 30 CEEDHN CCN1CCC[C@H]1CN(C)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000450026456 378274490 /nfs/dbraw/zinc/27/44/90/378274490.db2.gz WEFGEKRQTUAWHF-WMLDXEAASA-N 0 3 289.423 2.403 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2CCN(C3CC3)C2)CCCC1 ZINC000449806074 378233907 /nfs/dbraw/zinc/23/39/07/378233907.db2.gz QNHLTBQTECSZOJ-ZDUSSCGKSA-N 0 3 262.397 2.476 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2CCN(C3CC3)C2)CCCC1 ZINC000449806073 378234336 /nfs/dbraw/zinc/23/43/36/378234336.db2.gz QNHLTBQTECSZOJ-CYBMUJFWSA-N 0 3 262.397 2.476 20 30 CEEDHN C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000449874889 378238421 /nfs/dbraw/zinc/23/84/21/378238421.db2.gz XXSOKJKKKSYUER-QGPMSJSTSA-N 0 3 297.402 2.317 20 30 CEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000449874887 378238659 /nfs/dbraw/zinc/23/86/59/378238659.db2.gz XXSOKJKKKSYUER-HFTRVMKXSA-N 0 3 297.402 2.317 20 30 CEEDHN C[C@H](c1ccccc1)[C@@H](O)CN1CCC(C#N)CC1 ZINC000450317361 378352654 /nfs/dbraw/zinc/35/26/54/378352654.db2.gz KCUQYPNNRNPCGW-CJNGLKHVSA-N 0 3 258.365 2.387 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](SC)C1 ZINC000296236695 378461971 /nfs/dbraw/zinc/46/19/71/378461971.db2.gz KWOPRCGCLXLDIF-QWHCGFSZSA-N 0 3 268.426 2.013 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000296155539 378435105 /nfs/dbraw/zinc/43/51/05/378435105.db2.gz DUNLDXAJNKJBRR-HNNXBMFYSA-N 0 3 287.407 2.310 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(Cl)c1 ZINC000296564604 378576410 /nfs/dbraw/zinc/57/64/10/378576410.db2.gz LCPSPULWARAMFU-UHFFFAOYSA-N 0 3 279.771 2.417 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1cccs1 ZINC000296960828 378659909 /nfs/dbraw/zinc/65/99/09/378659909.db2.gz QVATZTXSXUYZOW-ZDUSSCGKSA-N 0 3 293.436 2.406 20 30 CEEDHN COC[C@@](C)(O)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000453255115 378842260 /nfs/dbraw/zinc/84/22/60/378842260.db2.gz LHTDXILJIGPYEH-ABAIWWIYSA-N 0 3 280.343 2.135 20 30 CEEDHN C#CCN(CC)C[C@H](O)COCc1ccccc1Cl ZINC000299169083 378923935 /nfs/dbraw/zinc/92/39/35/378923935.db2.gz QPQGQEPRBOWCGQ-AWEZNQCLSA-N 0 3 281.783 2.173 20 30 CEEDHN COCCN1CCC(Nc2cccc(F)c2C#N)CC1 ZINC000299224698 378935326 /nfs/dbraw/zinc/93/53/26/378935326.db2.gz BYWITOJFOVMSEV-UHFFFAOYSA-N 0 3 277.343 2.220 20 30 CEEDHN C[C@@H](C#N)OCCN(C)CCCN(C)C(=O)OC(C)(C)C ZINC000497098243 379049555 /nfs/dbraw/zinc/04/95/55/379049555.db2.gz BTHOXXQJKWYDOU-ZDUSSCGKSA-N 0 3 299.415 2.104 20 30 CEEDHN CN(C)Cc1cccc(CNCc2nc(C#N)cs2)c1 ZINC000352831911 220265023 /nfs/dbraw/zinc/26/50/23/220265023.db2.gz DLDRERDUTYLPQN-UHFFFAOYSA-N 0 3 286.404 2.366 20 30 CEEDHN CCOC1CC(N(C)CCOc2cccc(C#N)c2)C1 ZINC000347466994 218246070 /nfs/dbraw/zinc/24/60/70/218246070.db2.gz ZTKROTVEBMAUAX-UHFFFAOYSA-N 0 3 274.364 2.436 20 30 CEEDHN C[C@@H]1CCN(CCCOc2cccc(C#N)c2)C[C@H]1O ZINC000299904311 379146624 /nfs/dbraw/zinc/14/66/24/379146624.db2.gz KSTOCENJMBZYSS-CZUORRHYSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1ccc(C#N)cn1 ZINC000515308263 379205472 /nfs/dbraw/zinc/20/54/72/379205472.db2.gz IGMYMCXEZKDZPL-BBRMVZONSA-N 0 3 273.380 2.469 20 30 CEEDHN CC[C@H](C)[C@@](C)(O)CNCc1cnc2ccc(C#N)cn12 ZINC000304258248 379537659 /nfs/dbraw/zinc/53/76/59/379537659.db2.gz SGSUODKANMBFHZ-LRDDRELGSA-N 0 3 286.379 2.093 20 30 CEEDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)NC1(C#N)CCC1 ZINC000527377135 379755823 /nfs/dbraw/zinc/75/58/23/379755823.db2.gz SICAUFCKGCZEAV-MCIONIFRSA-N 0 3 275.396 2.202 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000486363669 380080964 /nfs/dbraw/zinc/08/09/64/380080964.db2.gz ZFWOJLLAKVMYGL-CAOSSQGBSA-N 0 3 294.439 2.347 20 30 CEEDHN C[C@@H](CC(=O)C(C#N)C(=O)N1CCCC1)c1ccco1 ZINC000528916671 380135279 /nfs/dbraw/zinc/13/52/79/380135279.db2.gz RIQXOFZKPRACOJ-NWDGAFQWSA-N 0 3 274.320 2.104 20 30 CEEDHN C#CCN(CC)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000268174998 190383199 /nfs/dbraw/zinc/38/31/99/190383199.db2.gz RJYVERYTECAQNB-RDJZCZTQSA-N 0 3 299.418 2.314 20 30 CEEDHN COC[C@H]1CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000529923367 380189917 /nfs/dbraw/zinc/18/99/17/380189917.db2.gz BOYQVZWHKJZYGB-JKSUJKDBSA-N 0 3 286.375 2.396 20 30 CEEDHN N#CC1(C(=O)NC[C@H]2CCN2C2CCCC2)CCCC1 ZINC000530027195 380192596 /nfs/dbraw/zinc/19/25/96/380192596.db2.gz OLFOYNUMHWPKBE-CQSZACIVSA-N 0 3 275.396 2.203 20 30 CEEDHN C=CCCOCCCCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000538301134 380244080 /nfs/dbraw/zinc/24/40/80/380244080.db2.gz JKSHNYGAJRRZCR-INIZCTEOSA-N 0 3 294.439 2.446 20 30 CEEDHN C[C@H](CNC(=O)N1CCC(C#N)CC1)N1CCCC[C@H]1C ZINC000334349852 380283980 /nfs/dbraw/zinc/28/39/80/380283980.db2.gz DSLSBDQHPQMEIP-ZIAGYGMSSA-N 0 3 292.427 2.194 20 30 CEEDHN C[C@@H]1CCN(C)CCN1C(=O)/C=C/c1cccc(C#N)c1 ZINC000491848641 380359720 /nfs/dbraw/zinc/35/97/20/380359720.db2.gz RYQQBYIWQSGUOA-PSKZRQQASA-N 0 3 283.375 2.124 20 30 CEEDHN C[C@@H]1CCN(CCNC(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000491961885 380400175 /nfs/dbraw/zinc/40/01/75/380400175.db2.gz ZOCPZAYORMYVPE-PSKZRQQASA-N 0 3 283.375 2.029 20 30 CEEDHN Cn1cc(CN2CCC[C@H](c3ccnn3C)C2)cc1C#N ZINC000334536140 380550374 /nfs/dbraw/zinc/55/03/74/380550374.db2.gz IUQOLEYYSCUPFM-AWEZNQCLSA-N 0 3 283.379 2.010 20 30 CEEDHN OCC[C@H]1CCC[C@H]1NCC#Cc1ccc(F)cc1 ZINC000279177687 194319797 /nfs/dbraw/zinc/31/97/97/194319797.db2.gz CORMJWHJHSZERT-GDBMZVCRSA-N 0 3 261.340 2.318 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000556085917 380868542 /nfs/dbraw/zinc/86/85/42/380868542.db2.gz YCWYZAQCLMFZJC-GOSISDBHSA-N 0 3 299.418 2.245 20 30 CEEDHN C=CCOCCNC1(c2ccccc2)CCOCC1 ZINC000555417251 380827131 /nfs/dbraw/zinc/82/71/31/380827131.db2.gz CMSZLPKXMLOIGG-UHFFFAOYSA-N 0 3 261.365 2.485 20 30 CEEDHN C=CCC[C@H](O)CN1CCCC[C@H]1COC(=O)NCCC ZINC000495642824 381179915 /nfs/dbraw/zinc/17/99/15/381179915.db2.gz UZHPOHTXGKOCQA-GJZGRUSLSA-N 0 3 298.427 2.304 20 30 CEEDHN C#CCCN1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000495677427 381181624 /nfs/dbraw/zinc/18/16/24/381181624.db2.gz OIKRKMZAIKYNQI-MRXNPFEDSA-N 0 3 278.396 2.485 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495852954 381189030 /nfs/dbraw/zinc/18/90/30/381189030.db2.gz BVOGBBQIVAVKDQ-OLZOCXBDSA-N 0 3 266.385 2.387 20 30 CEEDHN C=CCN(C)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000495914812 381190528 /nfs/dbraw/zinc/19/05/28/381190528.db2.gz VCFOHRSIVUGRHV-WFASDCNBSA-N 0 3 266.385 2.361 20 30 CEEDHN C=CC1CCN(C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496208778 381203903 /nfs/dbraw/zinc/20/39/03/381203903.db2.gz TUZVMAGWLCISLH-CQSZACIVSA-N 0 3 298.427 2.112 20 30 CEEDHN C=CCN(C)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496702877 381224676 /nfs/dbraw/zinc/22/46/76/381224676.db2.gz QDMFANPSVNATAA-INIZCTEOSA-N 0 3 298.427 2.256 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc(F)cc2C#N)CCN1C ZINC000334860740 207203760 /nfs/dbraw/zinc/20/37/60/207203760.db2.gz MCPREBLTFRVVAF-ZWNOBZJWSA-N 0 3 290.342 2.302 20 30 CEEDHN Cc1ncc(CNCc2ccc(CC#N)cc2)n1C ZINC000574769953 335046599 /nfs/dbraw/zinc/04/65/99/335046599.db2.gz CSOGVIVBJQMAQS-UHFFFAOYSA-N 0 3 254.337 2.084 20 30 CEEDHN CC(C)N(CC(=O)NC1(C#N)CCC1)C1CC(C)(C)C1 ZINC000574842030 335051900 /nfs/dbraw/zinc/05/19/00/335051900.db2.gz PQBBIIGUDHKBDP-UHFFFAOYSA-N 0 3 277.412 2.448 20 30 CEEDHN CC(C#N)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000347067491 533110474 /nfs/dbraw/zinc/11/04/74/533110474.db2.gz KODAFGPBQFMRDI-PXTSUWAFSA-N 0 3 283.375 2.004 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCCN1C(C)=O ZINC000329051532 285195399 /nfs/dbraw/zinc/19/53/99/285195399.db2.gz HFDNGMHEWYSFJB-HUUCEWRRSA-N 0 3 295.427 2.218 20 30 CEEDHN C=CCNC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000186950632 260024754 /nfs/dbraw/zinc/02/47/54/260024754.db2.gz IORAXBAJKBIPMN-INIZCTEOSA-N 0 3 287.407 2.382 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1C[C@H](C)CC(C)(C)C1 ZINC000336051964 533238179 /nfs/dbraw/zinc/23/81/79/533238179.db2.gz CMMXLRKADRBDBI-OLZOCXBDSA-N 0 3 277.412 2.305 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](CO)[C@H]1C ZINC000412069012 533270639 /nfs/dbraw/zinc/27/06/39/533270639.db2.gz FMOFHTUBHZKVHL-OCCSQVGLSA-N 0 3 274.364 2.160 20 30 CEEDHN CO[C@@H]1CCN(C[C@@H](O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000282434935 533413614 /nfs/dbraw/zinc/41/36/14/533413614.db2.gz RNNFPPPRSNRVFZ-DAXOMENPSA-N 0 3 274.364 2.091 20 30 CEEDHN N#Cc1nccnc1NC1CCN(Cc2ccccc2)CC1 ZINC000263947866 131366515 /nfs/dbraw/zinc/36/65/15/131366515.db2.gz ZBIFIMHDMWQKDZ-UHFFFAOYSA-N 0 3 293.374 2.425 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNc1cnc(C#N)cn1 ZINC000355424503 394449766 /nfs/dbraw/zinc/44/97/66/394449766.db2.gz UJCVBPSNTWHBJD-TXEJJXNPSA-N 0 3 259.357 2.023 20 30 CEEDHN C=C(C)CN1CCC(Nc2cncc(OCC)n2)CC1 ZINC000301710679 394465004 /nfs/dbraw/zinc/46/50/04/394465004.db2.gz UVRFXKLFMQAAPR-UHFFFAOYSA-N 0 3 276.384 2.328 20 30 CEEDHN N#Cc1ccc(N2CCCN(Cc3ccccc3)CC2)nn1 ZINC000301842318 394465670 /nfs/dbraw/zinc/46/56/70/394465670.db2.gz QEGHDUCGHKWIKG-UHFFFAOYSA-N 0 3 293.374 2.061 20 30 CEEDHN CCC[C@]1(NC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CCOC1 ZINC000329282077 394561532 /nfs/dbraw/zinc/56/15/32/394561532.db2.gz MUMAUVUVYPZGLK-IOASZLSFSA-N 0 3 295.427 2.074 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)CCc1ccc(C#N)cc1 ZINC000421703692 394569349 /nfs/dbraw/zinc/56/93/49/394569349.db2.gz MTQRDGBJWLTRRA-INIZCTEOSA-N 0 3 285.391 2.043 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)Nc2cn(C)nc2C2CC2)CCN1C ZINC000329800736 394586457 /nfs/dbraw/zinc/58/64/57/394586457.db2.gz IREGTQSUWOOSJD-PWSUYJOCSA-N 0 3 291.399 2.106 20 30 CEEDHN N#Cc1ccc(CN(CCO)C2CCSCC2)cc1F ZINC000421385031 394520977 /nfs/dbraw/zinc/52/09/77/394520977.db2.gz PKHXQBKUBKGPLD-UHFFFAOYSA-N 0 3 294.395 2.387 20 30 CEEDHN C=C[C@@H](CO)NCc1cc(C)c(Br)s1 ZINC000308762085 394530722 /nfs/dbraw/zinc/53/07/22/394530722.db2.gz YJZKBIUKDNPRCB-QMMMGPOBSA-N 0 3 276.199 2.456 20 30 CEEDHN CCn1cc([C@H]2OCCC[C@@H]2N[C@H]2CC[C@H](C#N)C2)cn1 ZINC000328601987 394553496 /nfs/dbraw/zinc/55/34/96/394553496.db2.gz GLFZBEAASKSFEK-QCEMKRCNSA-N 0 3 288.395 2.405 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000328916541 394555804 /nfs/dbraw/zinc/55/58/04/394555804.db2.gz KGTSMCDDBDTJKD-XHSDSOJGSA-N 0 3 288.391 2.476 20 30 CEEDHN CN(C)CCOc1ccc(NC(=O)CCCC#N)c(F)c1 ZINC000413908675 394658574 /nfs/dbraw/zinc/65/85/74/394658574.db2.gz CWCNFFJDWSMQRT-UHFFFAOYSA-N 0 3 293.342 2.398 20 30 CEEDHN CC(C)C[NH+]1CCC(NC(=O)c2csc(=O)[n-]2)CC1 ZINC000329917933 394595261 /nfs/dbraw/zinc/59/52/61/394595261.db2.gz QYJXCMWZIDWGDT-UHFFFAOYSA-N 0 3 283.397 2.274 20 30 CEEDHN CC[C@@H](C(=O)N[C@H](CCC#N)c1ccccc1)N(C)C ZINC000413651266 394610014 /nfs/dbraw/zinc/61/00/14/394610014.db2.gz HOTZFSVJBFFWAC-CABCVRRESA-N 0 3 273.380 2.488 20 30 CEEDHN CC(C)[C@@H]1CCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330640366 394623373 /nfs/dbraw/zinc/62/33/73/394623373.db2.gz COOPUKLNMASOLQ-DZGCQCFKSA-N 0 3 265.401 2.161 20 30 CEEDHN COc1ccc(CN2CCN(C)[C@H](C)[C@H]2C)cc1C#N ZINC000357001159 394677128 /nfs/dbraw/zinc/67/71/28/394677128.db2.gz MIUVKQGJGFTWRS-CHWSQXEVSA-N 0 3 273.380 2.091 20 30 CEEDHN CC(C#N)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000334418333 394683869 /nfs/dbraw/zinc/68/38/69/394683869.db2.gz PJUWTBRDMMOSDI-LLVKDONJSA-N 0 3 282.347 2.429 20 30 CEEDHN C[C@H]1C[C@H](Nc2nc3c(cc2C#N)CCC3)CN1C1CC1 ZINC000267845014 394685815 /nfs/dbraw/zinc/68/58/15/394685815.db2.gz CILXSHGEWBPDRQ-FZMZJTMJSA-N 0 3 282.391 2.479 20 30 CEEDHN C=CCC1(C(=O)NC[C@]2(N(C)C)CCSC2)CCC1 ZINC000359416854 394752110 /nfs/dbraw/zinc/75/21/10/394752110.db2.gz QTSXOKJYMNYZEP-OAHLLOKOSA-N 0 3 282.453 2.286 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](C)[C@@H](C)C1 ZINC000123025305 394822119 /nfs/dbraw/zinc/82/21/19/394822119.db2.gz YSPRQRVVTIUDLM-KGLIPLIRSA-N 0 3 250.386 2.165 20 30 CEEDHN COc1ccccc1[C@H](C)NCCC(=O)N(C)CCC#N ZINC000271732793 394762357 /nfs/dbraw/zinc/76/23/57/394762357.db2.gz UNWQREMTMMLSMV-ZDUSSCGKSA-N 0 3 289.379 2.108 20 30 CEEDHN C=CCCCC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000359836692 394777322 /nfs/dbraw/zinc/77/73/22/394777322.db2.gz BFDZORGAWNZCHH-UHFFFAOYSA-N 0 3 282.428 2.348 20 30 CEEDHN CC[C@H](C(=O)N(CCC#N)CC1CC1)N(CC)CC ZINC000359808661 394777377 /nfs/dbraw/zinc/77/73/77/394777377.db2.gz ZLGYJLDPPHYJAK-CQSZACIVSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2CCCN(C)[C@H]2C)CCC1 ZINC000359889042 394779001 /nfs/dbraw/zinc/77/90/01/394779001.db2.gz WWUKPPBZZRGPAE-QWHCGFSZSA-N 0 3 250.386 2.332 20 30 CEEDHN CCC[C@H]1CCCN(CC(=O)N(CC)CCC#N)C1 ZINC000121014612 394790903 /nfs/dbraw/zinc/79/09/03/394790903.db2.gz YJAVVGNZBZKJLC-AWEZNQCLSA-N 0 3 265.401 2.261 20 30 CEEDHN CC(C#N)C(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000335857479 394805057 /nfs/dbraw/zinc/80/50/57/394805057.db2.gz NDNPZTQQVJUFKW-JTQLQIEISA-N 0 3 294.301 2.246 20 30 CEEDHN N#C[C@H]1CC[C@@H](N2CCC(CC(=O)N3CCCC3)CC2)C1 ZINC000335903312 394809962 /nfs/dbraw/zinc/80/99/62/394809962.db2.gz OQNKOTZTZWQZDH-JKSUJKDBSA-N 0 3 289.423 2.403 20 30 CEEDHN C[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@@H]1CO ZINC000362070713 394843678 /nfs/dbraw/zinc/84/36/78/394843678.db2.gz HAFTUQUSMWOIGN-TZMCWYRMSA-N 0 3 263.768 2.252 20 30 CEEDHN C=C[C@@H](C)NC(=O)NCCN1CCCC[C@H]1CC ZINC000362369481 394856251 /nfs/dbraw/zinc/85/62/51/394856251.db2.gz GOOWSJYNWCWFEZ-CHWSQXEVSA-N 0 3 253.390 2.125 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000281831467 394858036 /nfs/dbraw/zinc/85/80/36/394858036.db2.gz OXKUQPYGVWHMTD-MRXNPFEDSA-N 0 3 297.358 2.492 20 30 CEEDHN C=CCN1CC[C@@H](N2CC[C@H](c3ccc(F)cc3)C2)C1=O ZINC000282017926 394896697 /nfs/dbraw/zinc/89/66/97/394896697.db2.gz OZLOMLJHVGUJAV-GOEBONIOSA-N 0 3 288.366 2.402 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc(CC#N)cc1 ZINC000338297938 394911886 /nfs/dbraw/zinc/91/18/86/394911886.db2.gz UVHWXWMPFVVAMO-QWHCGFSZSA-N 0 3 274.364 2.430 20 30 CEEDHN CC(=O)NCCN(CCC(C)(C)C#N)C1CCSCC1 ZINC000338585416 394923124 /nfs/dbraw/zinc/92/31/24/394923124.db2.gz BRNGTJHEYBBDKV-UHFFFAOYSA-N 0 3 297.468 2.260 20 30 CEEDHN COCCCOC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000339005556 394936213 /nfs/dbraw/zinc/93/62/13/394936213.db2.gz UWXCOQGBEFXRQF-KGLIPLIRSA-N 0 3 266.385 2.196 20 30 CEEDHN C=C(C)Cn1c(C)nnc1N1CCN(C2CCCC2)CC1 ZINC000283739883 394937322 /nfs/dbraw/zinc/93/73/22/394937322.db2.gz ZRVBIYQRWOBPQH-UHFFFAOYSA-N 0 3 289.427 2.227 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@]23CCOC3)cc1 ZINC000367048875 394956320 /nfs/dbraw/zinc/95/63/20/394956320.db2.gz ZXZJHAVXOSNEPE-QGZVFWFLSA-N 0 3 271.360 2.454 20 30 CEEDHN CC(C)(C)OC1CCN(CCOCCC#N)CC1 ZINC000339018940 394937791 /nfs/dbraw/zinc/93/77/91/394937791.db2.gz LWGCRTYTHPIFPO-UHFFFAOYSA-N 0 3 254.374 2.196 20 30 CEEDHN C=C[C@@](C)(O)CC(=O)Nc1ccc(CN(C)C)cc1 ZINC000283821670 394938751 /nfs/dbraw/zinc/93/87/51/394938751.db2.gz YNUTWLWBNSERMV-OAHLLOKOSA-N 0 3 262.353 2.014 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000366174160 394939547 /nfs/dbraw/zinc/93/95/47/394939547.db2.gz WKTPOTHLXSWSGC-UKRRQHHQSA-N 0 3 265.401 2.078 20 30 CEEDHN Cc1n[nH]c(C)c1[C@H]1CCCN1CCOCCC#N ZINC000339055473 394939864 /nfs/dbraw/zinc/93/98/64/394939864.db2.gz BOWMPKHSYGSYIT-CYBMUJFWSA-N 0 3 262.357 2.094 20 30 CEEDHN C#CC[C@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC000283973114 394939918 /nfs/dbraw/zinc/93/99/18/394939918.db2.gz FJJGULUUCDHVFF-ZBFHGGJFSA-N 0 3 291.416 2.165 20 30 CEEDHN C#CCN(CC)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000284308197 394943245 /nfs/dbraw/zinc/94/32/45/394943245.db2.gz ZRUQWCUDGXKBEO-SFHVURJKSA-N 0 3 286.419 2.233 20 30 CEEDHN C#CC[C@H](C)N[C@H]1CCCc2c1cnn2-c1ncccn1 ZINC000366523326 394947146 /nfs/dbraw/zinc/94/71/46/394947146.db2.gz TVUGKMNNDBIISD-JSGCOSHPSA-N 0 3 281.363 2.041 20 30 CEEDHN N#Cc1ccc2ncc(CN3CCCC34CCOCC4)n2c1 ZINC000371394448 395028557 /nfs/dbraw/zinc/02/85/57/395028557.db2.gz ZQJRAUCNABKBTM-UHFFFAOYSA-N 0 3 296.374 2.351 20 30 CEEDHN Cc1ccc(C#N)c(N2C[C@@H](N3CCCC3)C[C@@H]2C)n1 ZINC000286276406 395018817 /nfs/dbraw/zinc/01/88/17/395018817.db2.gz HSIDKYIMTWQMFE-ZFWWWQNUSA-N 0 3 270.380 2.325 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)C2(C#N)CCC2)CN1Cc1ccccc1 ZINC000134894361 394959903 /nfs/dbraw/zinc/95/99/03/394959903.db2.gz DHEXRFWNGSNERK-GOEBONIOSA-N 0 3 297.402 2.459 20 30 CEEDHN C=C(C)[C@H](CC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)OCC ZINC000339440813 394961517 /nfs/dbraw/zinc/96/15/17/394961517.db2.gz JIUDFARXCILTSQ-YDHLFZDLSA-N 0 3 280.412 2.099 20 30 CEEDHN C=C(C)CN(CC)C(=O)NC1CCN(CC)CC1 ZINC000339525251 394963736 /nfs/dbraw/zinc/96/37/36/394963736.db2.gz ZKXFBFMORXPGPH-UHFFFAOYSA-N 0 3 253.390 2.078 20 30 CEEDHN N#Cc1ccc(N2CCN(C3CCCC3)CC2)cn1 ZINC000149349626 394974208 /nfs/dbraw/zinc/97/42/08/394974208.db2.gz OMKROQKQEYYUNR-UHFFFAOYSA-N 0 3 256.353 2.018 20 30 CEEDHN CN(C)C1(CNC(=O)c2cccc(SCC#N)c2)CC1 ZINC000416301636 395049829 /nfs/dbraw/zinc/04/98/29/395049829.db2.gz MACWGWYEYNGVGY-UHFFFAOYSA-N 0 3 289.404 2.126 20 30 CEEDHN Cc1cc(NC[C@H](C)N2CCC[C@H](C)C2)c(C#N)cn1 ZINC000425202967 395051932 /nfs/dbraw/zinc/05/19/32/395051932.db2.gz DLSBTLHFPDQSLS-JSGCOSHPSA-N 0 3 272.396 2.216 20 30 CEEDHN Cc1cc(NC[C@H](c2cccs2)N(C)C)c(C#N)cn1 ZINC000425205476 395052126 /nfs/dbraw/zinc/05/21/26/395052126.db2.gz WIGGTMBHWSPYEI-CQSZACIVSA-N 0 3 286.404 2.460 20 30 CEEDHN Cc1cc(NC[C@@H](C)N2CCCC[C@@H]2C)c(C#N)cn1 ZINC000425207992 395052183 /nfs/dbraw/zinc/05/21/83/395052183.db2.gz NWJCUKNDNWRIDX-UONOGXRCSA-N 0 3 272.396 2.358 20 30 CEEDHN CCC[C@@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346440075 395100197 /nfs/dbraw/zinc/10/01/97/395100197.db2.gz WLNBZHWWEQDYCM-ZIAGYGMSSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000288330275 395057263 /nfs/dbraw/zinc/05/72/63/395057263.db2.gz ZOXYFZYCDGIJGR-GDBMZVCRSA-N 0 3 287.407 2.477 20 30 CEEDHN CCCCCCCN1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000373243953 395057892 /nfs/dbraw/zinc/05/78/92/395057892.db2.gz PQESQFBGVBXDSZ-CYBMUJFWSA-N 0 3 253.390 2.008 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000425533819 395061544 /nfs/dbraw/zinc/06/15/44/395061544.db2.gz LHBPURTZIBUUNV-LBPRGKRZSA-N 0 3 299.334 2.356 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)o1 ZINC000373536963 395062700 /nfs/dbraw/zinc/06/27/00/395062700.db2.gz YPUNQYAZWPSZNV-KRWDZBQOSA-N 0 3 293.326 2.247 20 30 CEEDHN C#CCC(CC#C)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000288998033 395067963 /nfs/dbraw/zinc/06/79/63/395067963.db2.gz IGQZHTNVPSTBPL-QGZVFWFLSA-N 0 3 286.419 2.126 20 30 CEEDHN CC(C#N)C(=O)N(C)Cc1nccn1Cc1ccccc1 ZINC000345651070 395071979 /nfs/dbraw/zinc/07/19/79/395071979.db2.gz AIICUYLZFOFUCU-ZDUSSCGKSA-N 0 3 282.347 2.049 20 30 CEEDHN CC[C@@H](NC(=O)C(C)C#N)c1ccc2c(c1)OCCO2 ZINC000345767182 395076279 /nfs/dbraw/zinc/07/62/79/395076279.db2.gz QHFKIQUHKSJWPT-ZYHUDNBSSA-N 0 3 274.320 2.185 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc(Br)cc1 ZINC000289452618 395077756 /nfs/dbraw/zinc/07/77/56/395077756.db2.gz BTZRKWNCDKMJGF-NSHDSACASA-N 0 3 256.143 2.086 20 30 CEEDHN C=CCOc1cccc(CN[C@@H]2CCC[C@H]2C(=O)NC)c1 ZINC000345836573 395079954 /nfs/dbraw/zinc/07/99/54/395079954.db2.gz DDGJPCVOOVGJQZ-HZPDHXFCSA-N 0 3 288.391 2.256 20 30 CEEDHN COc1ccc([C@@H](O)[C@@H]2CCCN2CCCC#N)cc1 ZINC000374425075 395082302 /nfs/dbraw/zinc/08/23/02/395082302.db2.gz YIRDLPLBUZMCJC-JKSUJKDBSA-N 0 3 274.364 2.497 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000346613893 395103534 /nfs/dbraw/zinc/10/35/34/395103534.db2.gz HCEWHSMUATTYKL-MSQAHXEGSA-N 0 3 283.375 2.205 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cnc([C@H](C)O)s1 ZINC000289760399 395086035 /nfs/dbraw/zinc/08/60/35/395086035.db2.gz QHQDNRFYTWOIPZ-GVXVVHGQSA-N 0 3 282.409 2.267 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cnc([C@H](C)O)s1 ZINC000289760408 395086719 /nfs/dbraw/zinc/08/67/19/395086719.db2.gz QHQDNRFYTWOIPZ-LOWVWBTDSA-N 0 3 282.409 2.267 20 30 CEEDHN C=CCCC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346180435 395090454 /nfs/dbraw/zinc/09/04/54/395090454.db2.gz GWVNXOQEMCMHNT-MGPQQGTHSA-N 0 3 250.386 2.141 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000290155361 395095571 /nfs/dbraw/zinc/09/55/71/395095571.db2.gz QEZCPNDXUJKOHL-SKDRFNHKSA-N 0 3 295.264 2.308 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccnc(SC)c2)CC1 ZINC000171715617 395096948 /nfs/dbraw/zinc/09/69/48/395096948.db2.gz AWZGJSCLPHFACU-UHFFFAOYSA-N 0 3 291.420 2.184 20 30 CEEDHN C=C(CNC(=O)NC1CCN(CC)CC1)c1ccccc1 ZINC000287098643 395033211 /nfs/dbraw/zinc/03/32/11/395033211.db2.gz LMXQPXIUUREDCH-UHFFFAOYSA-N 0 3 287.407 2.483 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H](C)CF)C(C)C ZINC000287244184 395036442 /nfs/dbraw/zinc/03/64/42/395036442.db2.gz SPQFKXGAMQBGQD-KBPBESRZSA-N 0 3 285.407 2.342 20 30 CEEDHN CC1CCC(N(C)CC(=O)NC2(C#N)CCC2)CC1 ZINC000346897447 395113476 /nfs/dbraw/zinc/11/34/76/395113476.db2.gz ZSSPTFVSEMVRLJ-UHFFFAOYSA-N 0 3 263.385 2.059 20 30 CEEDHN CC(C)[C@@H]1CCCCN1CC(=O)NC1(C#N)CCC1 ZINC000347034203 395117741 /nfs/dbraw/zinc/11/77/41/395117741.db2.gz OPRANRRMFSHWCR-ZDUSSCGKSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000347010142 395117754 /nfs/dbraw/zinc/11/77/54/395117754.db2.gz HRYCDSUYFKMEAQ-SOUVJXGZSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCOCCCN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000348039434 395133719 /nfs/dbraw/zinc/13/37/19/395133719.db2.gz DCYBLRVYAKOFKO-GJZGRUSLSA-N 0 3 252.402 2.138 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000346686681 395104156 /nfs/dbraw/zinc/10/41/56/395104156.db2.gz SBTQCQYRBMEFNL-MEYUZBJRSA-N 0 3 283.375 2.205 20 30 CEEDHN CC(C)[C@](C)(CO)NC(=O)C(C#N)CCc1ccccc1 ZINC000427391057 395108869 /nfs/dbraw/zinc/10/88/69/395108869.db2.gz OKQVAYKDBKPJDE-RDJZCZTQSA-N 0 3 288.391 2.282 20 30 CEEDHN CN(C)CCN(Cc1ccco1)C(=O)NCCCCC#N ZINC000176245135 395137712 /nfs/dbraw/zinc/13/77/12/395137712.db2.gz PSNLZVQZAVADHY-UHFFFAOYSA-N 0 3 292.383 2.047 20 30 CEEDHN C[C@@H]1CN(Cc2cccc(F)c2C#N)[C@@H](C)CN1C ZINC000428299414 395144632 /nfs/dbraw/zinc/14/46/32/395144632.db2.gz FGUNQETWVQWZPZ-NEPJUHHUSA-N 0 3 261.344 2.222 20 30 CEEDHN C=CCOc1ccc(CN(CC)C[C@@H](C)O)cc1OC ZINC000348713121 395149731 /nfs/dbraw/zinc/14/97/31/395149731.db2.gz JVQLMPCGFBRSJS-CYBMUJFWSA-N 0 3 279.380 2.463 20 30 CEEDHN C=CCc1cc(CN(CC)C[C@H](C)O)cc(OC)c1O ZINC000348708928 395149997 /nfs/dbraw/zinc/14/99/97/395149997.db2.gz AMLQVVRGJRKPLW-LBPRGKRZSA-N 0 3 279.380 2.332 20 30 CEEDHN C=CCN(C)CCN(CC)CCOc1ccccc1C#N ZINC000429719864 395159024 /nfs/dbraw/zinc/15/90/24/395159024.db2.gz VCZGYYFLAZWAAY-UHFFFAOYSA-N 0 3 287.407 2.377 20 30 CEEDHN C[C@H](CO)N(C)Cc1cccc(OCCCC#N)c1 ZINC000349297325 395163355 /nfs/dbraw/zinc/16/33/55/395163355.db2.gz NAEOJADNAHHONF-CYBMUJFWSA-N 0 3 262.353 2.182 20 30 CEEDHN Cc1cc(CN2CC[C@@H](CN3CCOC3=O)C2)ccc1C#N ZINC000496339913 395154646 /nfs/dbraw/zinc/15/46/46/395154646.db2.gz GIAKBTPGVROAGY-OAHLLOKOSA-N 0 3 299.374 2.141 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CCN1CCc2ccccc2C1 ZINC000348939072 395155323 /nfs/dbraw/zinc/15/53/23/395155323.db2.gz FRIVMVBBEYPMNQ-OAHLLOKOSA-N 0 3 299.418 2.443 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1cccc(C#N)c1 ZINC000429721002 395158382 /nfs/dbraw/zinc/15/83/82/395158382.db2.gz JHFABIADFULCQV-UHFFFAOYSA-N 0 3 257.381 2.498 20 30 CEEDHN C=CCOc1ccc(CNCCN2CCCOCC2)cc1 ZINC000349370776 395167182 /nfs/dbraw/zinc/16/71/82/395167182.db2.gz SHUKLLQRXCAYQY-UHFFFAOYSA-N 0 3 290.407 2.063 20 30 CEEDHN C[NH+](C)[C@@H]1CCC[C@H](/N=C/c2ccc(O)c([O-])c2O)C1 ZINC000178704548 395172045 /nfs/dbraw/zinc/17/20/45/395172045.db2.gz NOZIQSHSWRNAGT-JOUPJPQCSA-N 0 3 278.352 2.095 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000350039697 395179486 /nfs/dbraw/zinc/17/94/86/395179486.db2.gz YULVZKQISQELHC-VNHYZAJKSA-N 0 3 265.401 2.163 20 30 CEEDHN C=CC[C@@H](CO)NCc1c(C(C)C)nc2sc(C)nn21 ZINC000351597075 395227654 /nfs/dbraw/zinc/22/76/54/395227654.db2.gz TYTPZUIJFRSBDE-NSHDSACASA-N 0 3 294.424 2.249 20 30 CEEDHN C[S@@](=O)C[C@H](NCCCCC#N)c1ccccc1 ZINC000183117156 395251664 /nfs/dbraw/zinc/25/16/64/395251664.db2.gz CSBCNZUGNGVWKR-KBXCAEBGSA-N 0 3 264.394 2.390 20 30 CEEDHN C#CCN(C)CCCNc1c(F)cc(C#N)cc1F ZINC000292828667 395207118 /nfs/dbraw/zinc/20/71/18/395207118.db2.gz POPKLIMRLBMMMI-UHFFFAOYSA-N 0 3 263.291 2.203 20 30 CEEDHN C#CCN(C)CCCN[C@H](C)c1cc(OC)ccc1OC ZINC000295020432 395283348 /nfs/dbraw/zinc/28/33/48/395283348.db2.gz NQVYPFJKBVDAQD-CQSZACIVSA-N 0 3 290.407 2.310 20 30 CEEDHN CC(=O)NC[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000186183350 395287056 /nfs/dbraw/zinc/28/70/56/395287056.db2.gz KLLLWONMTDOMRK-INIZCTEOSA-N 0 3 285.391 2.215 20 30 CEEDHN CC1=C[C@@H](C)CN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000528489116 395290777 /nfs/dbraw/zinc/29/07/77/395290777.db2.gz PLRZVGRIZBRZRS-CJNGLKHVSA-N 0 3 286.375 2.196 20 30 CEEDHN CC(C)(C)NC(=O)CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353277464 395293890 /nfs/dbraw/zinc/29/38/90/395293890.db2.gz ONPRFZTUKIWNMR-OAHLLOKOSA-N 0 3 285.391 2.440 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2CC23CCCC3)CC1 ZINC000354145539 395317728 /nfs/dbraw/zinc/31/77/28/395317728.db2.gz DFKPIZNNHCTNSR-CQSZACIVSA-N 0 3 262.397 2.333 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N(C)CC1(N(C)C)CCC1)OCC ZINC000354177065 395319589 /nfs/dbraw/zinc/31/95/89/395319589.db2.gz YIHQZVGJTMDVMB-CQSZACIVSA-N 0 3 282.428 2.300 20 30 CEEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419375458 395266400 /nfs/dbraw/zinc/26/64/00/395266400.db2.gz RNCFAZTYMBYJLH-ZAZJYDDPSA-N 0 3 271.364 2.061 20 30 CEEDHN CC[C@H](C)[C@@](C)(O)CNCc1ccc(C#N)c(OC)c1 ZINC000440810763 395360221 /nfs/dbraw/zinc/36/02/21/395360221.db2.gz FFBUNXYJXHHXNI-LRDDRELGSA-N 0 3 276.380 2.454 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)CS1 ZINC000412593030 395361430 /nfs/dbraw/zinc/36/14/30/395361430.db2.gz LFBUQTHFRPDMED-BYCMXARLSA-N 0 3 299.399 2.251 20 30 CEEDHN C=CCN(CC=C)[C@H](CNc1cncc(C#N)n1)C(C)C ZINC000420583958 395381572 /nfs/dbraw/zinc/38/15/72/395381572.db2.gz JYHWAVMDKYSOFD-OAHLLOKOSA-N 0 3 285.395 2.459 20 30 CEEDHN Cc1ccc(C(=O)NCCN[C@H]2CC[C@H](C#N)C2)cc1F ZINC000442724409 395392369 /nfs/dbraw/zinc/39/23/69/395392369.db2.gz ZKIWTMNNNYMLFM-JSGCOSHPSA-N 0 3 289.354 2.146 20 30 CEEDHN C=CCN(C)CCN(CC)[C@H](C)c1ncc(C)o1 ZINC000411646460 395333514 /nfs/dbraw/zinc/33/35/14/395333514.db2.gz VPIKBYZAFHDVLB-CYBMUJFWSA-N 0 3 251.374 2.484 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1ccncc1F ZINC000411637731 395333735 /nfs/dbraw/zinc/33/37/35/395333735.db2.gz BBIQCMJHVIIBJN-UHFFFAOYSA-N 0 3 251.349 2.160 20 30 CEEDHN C=CCN(C)CCN(CC)[C@H](C)c1nnc(CC)o1 ZINC000411635249 395334101 /nfs/dbraw/zinc/33/41/01/395334101.db2.gz BIYHKEGNPIEYEU-GFCCVEGCSA-N 0 3 266.389 2.133 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1oc(CC)nc1C ZINC000411642076 395334729 /nfs/dbraw/zinc/33/47/29/395334729.db2.gz GQPWABHINDUJCV-UHFFFAOYSA-N 0 3 265.401 2.485 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000411696595 395335695 /nfs/dbraw/zinc/33/56/95/395335695.db2.gz QTRMWXDJRAENPU-ZIAGYGMSSA-N 0 3 289.379 2.414 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCSC2(CCC2)CC1 ZINC000411869837 395340527 /nfs/dbraw/zinc/34/05/27/395340527.db2.gz NTCUWSCSDQOAQS-CYBMUJFWSA-N 0 3 295.452 2.109 20 30 CEEDHN N#Cc1ccc2ncc(CN(CCO)C3CCCCC3)n2c1 ZINC000434992932 395343052 /nfs/dbraw/zinc/34/30/52/395343052.db2.gz XOFNISDQGRYQLN-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCOCCN1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000411978251 395343073 /nfs/dbraw/zinc/34/30/73/395343073.db2.gz ARQVQRIBAPASAR-MRXNPFEDSA-N 0 3 274.408 2.395 20 30 CEEDHN CC(C)N1CCCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000531390514 395459044 /nfs/dbraw/zinc/45/90/44/395459044.db2.gz VPYYXXPIPWCDCN-UHFFFAOYSA-N 0 3 285.391 2.043 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H]1C[C@@H](O)C1 ZINC000420897166 395432662 /nfs/dbraw/zinc/43/26/62/395432662.db2.gz APYNJIZDYJBILU-IYBDPMFKSA-N 0 3 256.349 2.317 20 30 CEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)[C@@H]1CC2CCC1CC2 ZINC000568102489 395548363 /nfs/dbraw/zinc/54/83/63/395548363.db2.gz XZPUXLMKBUYXMR-IIZVFWCOSA-N 0 3 277.412 2.339 20 30 CEEDHN COc1cc(CN2CC[C@@H](CCCO)C2)ccc1C#N ZINC000449788502 395560729 /nfs/dbraw/zinc/56/07/29/395560729.db2.gz DTJSOVPGQKKYSZ-CYBMUJFWSA-N 0 3 274.364 2.161 20 30 CEEDHN Cc1c(C#N)c(NCCN(C)C2CC2)nc2ccccc12 ZINC000450278169 395570548 /nfs/dbraw/zinc/57/05/48/395570548.db2.gz UAOQNQPGUHVLRM-UHFFFAOYSA-N 0 3 280.375 2.343 20 30 CEEDHN N#Cc1ccc(Cl)cc1NC[C@H]1CCCN1CCCO ZINC000450593986 395573195 /nfs/dbraw/zinc/57/31/95/395573195.db2.gz JTZWVFPZMXDWET-CQSZACIVSA-N 0 3 293.798 2.470 20 30 CEEDHN CN(CCNC[C@@H](C#N)CCC#N)Cc1ccc(F)cc1 ZINC000570323094 395581754 /nfs/dbraw/zinc/58/17/54/395581754.db2.gz RTFISSRGLQFANC-OAHLLOKOSA-N 0 3 288.370 2.291 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@@H](OC)[C@H](C)C1 ZINC000451580343 395623488 /nfs/dbraw/zinc/62/34/88/395623488.db2.gz ZQUIMCITQLQPIH-IUODEOHRSA-N 0 3 274.364 2.424 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC[C@@]2(CCOC2)C1 ZINC000451910452 395625985 /nfs/dbraw/zinc/62/59/85/395625985.db2.gz YGQSNHIVXPHTQU-QGZVFWFLSA-N 0 3 286.375 2.440 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2C[C@@H]3OCCC[C@H]23)cc1F ZINC000453381304 395628108 /nfs/dbraw/zinc/62/81/08/395628108.db2.gz KTCXBOLJMPBQGN-YUELXQCFSA-N 0 3 260.312 2.354 20 30 CEEDHN CC1(C)CCCN1CCNC(=O)c1sccc1C#N ZINC000457083130 395634603 /nfs/dbraw/zinc/63/46/03/395634603.db2.gz XIDSTZWOZHFPLR-UHFFFAOYSA-N 0 3 277.393 2.224 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2C2CC2)cc1 ZINC000575010055 395643990 /nfs/dbraw/zinc/64/39/90/395643990.db2.gz ZEZHUYJGAMIVGR-OWCLPIDISA-N 0 3 279.343 2.155 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)C1CCN(OC)CC1 ZINC000459581499 395666479 /nfs/dbraw/zinc/66/64/79/395666479.db2.gz OUNWGVMNBVOMRW-UHFFFAOYSA-N 0 3 289.379 2.024 20 30 CEEDHN CC(C)[C@H]1CN(Cc2cc(C#N)ccc2F)CCN1C ZINC000488000824 395667793 /nfs/dbraw/zinc/66/77/93/395667793.db2.gz RISQDMCTJAELNJ-MRXNPFEDSA-N 0 3 275.371 2.469 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@H]2CCCC2(C)C)CC1 ZINC000491418960 395669466 /nfs/dbraw/zinc/66/94/66/395669466.db2.gz SQMOZQPIBKUEOT-OAHLLOKOSA-N 0 3 276.424 2.274 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)c1cccc(C)c1 ZINC000491438289 395669564 /nfs/dbraw/zinc/66/95/64/395669564.db2.gz BHQOMMYYBAFDFQ-HNNXBMFYSA-N 0 3 272.392 2.170 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000491924689 395670845 /nfs/dbraw/zinc/67/08/45/395670845.db2.gz KAIZFAGLNZMRKA-YSSGOKQJSA-N 0 3 297.402 2.370 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647309743 395701412 /nfs/dbraw/zinc/70/14/12/395701412.db2.gz PQJZZDYJEAVMCX-XEZPLFJOSA-N 0 3 275.396 2.461 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cn(-c2ccncc2)nc1C ZINC000648763460 395977912 /nfs/dbraw/zinc/97/79/12/395977912.db2.gz WNLBLQXSAUVJSX-SJORKVTESA-N 0 3 298.390 2.399 20 30 CEEDHN C=CCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000649748593 396249187 /nfs/dbraw/zinc/24/91/87/396249187.db2.gz ALXQBSBTJUGEMA-DLBZAZTESA-N 0 3 272.392 2.148 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CCOC[C@@H]1[C@H]1CCCN1C ZINC000646445184 396347038 /nfs/dbraw/zinc/34/70/38/396347038.db2.gz QDLVHWUVLQXTJF-HZPDHXFCSA-N 0 3 292.423 2.076 20 30 CEEDHN C=C(C)[C@H](CC(=O)NCCN1CCCCCC1)OCC ZINC000339424080 400364528 /nfs/dbraw/zinc/36/45/28/400364528.db2.gz RPKGUABYTLXILE-HNNXBMFYSA-N 0 3 282.428 2.350 20 30 CEEDHN CN(C)Cc1ccc(NC(=O)c2ccc(C#N)nc2)cc1 ZINC000359899307 155162659 /nfs/dbraw/zinc/16/26/59/155162659.db2.gz VZCWGLMYJHIQMZ-UHFFFAOYSA-N 0 3 280.331 2.267 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)CCCC1 ZINC000650511740 400931833 /nfs/dbraw/zinc/93/18/33/400931833.db2.gz JEMIWIJOICVBEF-ZIAGYGMSSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@H]3CN(C)C[C@H]32)CCCC1 ZINC000650511739 400932197 /nfs/dbraw/zinc/93/21/97/400932197.db2.gz JEMIWIJOICVBEF-UONOGXRCSA-N 0 3 262.397 2.285 20 30 CEEDHN COCCOc1cccc(CNCc2cc(C#N)n(C)c2)c1 ZINC000359973706 155184839 /nfs/dbraw/zinc/18/48/39/155184839.db2.gz CMKCOZBCPRIJPZ-UHFFFAOYSA-N 0 3 299.374 2.212 20 30 CEEDHN CCN1CCC[C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000360020966 155192749 /nfs/dbraw/zinc/19/27/49/155192749.db2.gz BDCDIYZLSXRVRR-BBRMVZONSA-N 0 3 285.391 2.262 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(C)CCN1CCCCC1 ZINC000651077292 401260475 /nfs/dbraw/zinc/26/04/75/401260475.db2.gz IDFSIBGAKNBRHD-AWEZNQCLSA-N 0 3 267.417 2.468 20 30 CEEDHN COc1cnccc1N1CCN(c2ccc(C#N)cc2)CC1 ZINC000360249026 155251688 /nfs/dbraw/zinc/25/16/88/155251688.db2.gz KAISNFQCYXBFCB-UHFFFAOYSA-N 0 3 294.358 2.288 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CCN(C)[C@H](C)C1)c1cccc(C#N)c1 ZINC000360290853 155263645 /nfs/dbraw/zinc/26/36/45/155263645.db2.gz SEINNFSXIPCLRL-DVOMOZLQSA-N 0 3 285.391 2.261 20 30 CEEDHN C[C@@H](C(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1cccc(C#N)c1 ZINC000360377861 155286053 /nfs/dbraw/zinc/28/60/53/155286053.db2.gz JZJVZSPIQWCRQI-CXAGYDPISA-N 0 3 297.402 2.357 20 30 CEEDHN C[C@H](C(=O)N1CC[C@H]2CCN(C)C[C@H]21)c1cccc(C#N)c1 ZINC000360768747 155366605 /nfs/dbraw/zinc/36/66/05/155366605.db2.gz OFXRXVWSKBRBPZ-YSVLISHTSA-N 0 3 297.402 2.214 20 30 CEEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc2c(c1)OCO2 ZINC000189583336 153101214 /nfs/dbraw/zinc/10/12/14/153101214.db2.gz GAUYZPKKFGNXCQ-LLVKDONJSA-N 0 3 283.331 2.476 20 30 CEEDHN CC[C@]1(CO)CCCN1Cc1cc(C#N)ccc1OC ZINC000189671104 153102293 /nfs/dbraw/zinc/10/22/93/153102293.db2.gz TZVRCMYNGFDIHQ-MRXNPFEDSA-N 0 3 274.364 2.304 20 30 CEEDHN N#Cc1ccc(CN2CCN3CCCC[C@@H]3C2)cc1F ZINC000192108572 153203264 /nfs/dbraw/zinc/20/32/64/153203264.db2.gz JJOZDXHABZPDAB-OAHLLOKOSA-N 0 3 273.355 2.367 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2C2CC2)c(F)c1 ZINC000230313549 153390678 /nfs/dbraw/zinc/39/06/78/153390678.db2.gz WMPLEDSJRUZHCR-CABCVRRESA-N 0 3 260.312 2.354 20 30 CEEDHN CC[C@@H](NCc1cc(C#N)n(C)c1)c1c(C)nn(C)c1C ZINC000359730267 155122908 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/nfs/dbraw/zinc/14/54/99/156145499.db2.gz BWZBIWQYXWTRLR-UHFFFAOYSA-N 0 3 289.354 2.255 20 30 CEEDHN C[C@H](F)CCN1CCCN(c2ncccc2C#N)CC1 ZINC000375710671 157128196 /nfs/dbraw/zinc/12/81/96/157128196.db2.gz MLWHHQGNBIGFMZ-ZDUSSCGKSA-N 0 3 276.359 2.213 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)c1ccc(C#N)cc1C ZINC000159905694 162318008 /nfs/dbraw/zinc/31/80/08/162318008.db2.gz PNMAZRKXTLXDAM-AWEZNQCLSA-N 0 3 271.364 2.081 20 30 CEEDHN C[C@@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCC1 ZINC000360106014 287062584 /nfs/dbraw/zinc/06/25/84/287062584.db2.gz ZKSPMLBRZLFXPP-ABAIWWIYSA-N 0 3 271.364 2.253 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000335686951 287130818 /nfs/dbraw/zinc/13/08/18/287130818.db2.gz GJNDECMKPRDRFY-SUMWQHHRSA-N 0 3 283.375 2.221 20 30 CEEDHN CN1CCC(NC(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000285156630 196209721 /nfs/dbraw/zinc/20/97/21/196209721.db2.gz XXZBZNZLCMWLCR-UHFFFAOYSA-N 0 3 277.755 2.036 20 30 CEEDHN CCC[C@@H](C)[C@@H](CO)NCc1cc(C#N)ccc1OC ZINC000565047416 298872643 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/nfs/dbraw/zinc/06/15/98/415061598.db2.gz RAWBKSRFLKTGNN-MRXNPFEDSA-N 0 3 260.381 2.400 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(C(C)(C)CC)CC1 ZINC000653810335 415111756 /nfs/dbraw/zinc/11/17/56/415111756.db2.gz ZHWAOAAEBOQOEQ-AWEZNQCLSA-N 0 3 254.418 2.120 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(C(C)(C)CC)CC1 ZINC000653810336 415113239 /nfs/dbraw/zinc/11/32/39/415113239.db2.gz ZHWAOAAEBOQOEQ-CQSZACIVSA-N 0 3 254.418 2.120 20 30 CEEDHN C=CCCn1cc(CN2CCN(C(C)(C)CC)CC2)nn1 ZINC000653811837 415115500 /nfs/dbraw/zinc/11/55/00/415115500.db2.gz ZZNDDLKOYFFQTO-UHFFFAOYSA-N 0 3 291.443 2.160 20 30 CEEDHN CN1CCC[C@H](CNc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000044537973 175200027 /nfs/dbraw/zinc/20/00/27/175200027.db2.gz ACZIKVIXZOFEMY-GFCCVEGCSA-N 0 3 274.324 2.220 20 30 CEEDHN C=CC[C@@H]1CCCN([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000661379454 415233211 /nfs/dbraw/zinc/23/32/11/415233211.db2.gz BYTRVYPDBGPZPO-ZIAGYGMSSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661403292 415241844 /nfs/dbraw/zinc/24/18/44/415241844.db2.gz KXVHSKFIHNHIIM-GFCCVEGCSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCOCCCN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000658210294 415259429 /nfs/dbraw/zinc/25/94/29/415259429.db2.gz PIVVLPGJIJCKMZ-AWEZNQCLSA-N 0 3 297.420 2.031 20 30 CEEDHN C=CC[C@H]1CCCN(CC(=O)N(CC=C)CC=C)C1 ZINC000661378017 415230969 /nfs/dbraw/zinc/23/09/69/415230969.db2.gz ZNRXVZOQQMKUGO-HNNXBMFYSA-N 0 3 262.397 2.475 20 30 CEEDHN C=CCCCCCNC(=O)C1(N)Cc2ccccc2C1 ZINC000655488550 415300669 /nfs/dbraw/zinc/30/06/69/415300669.db2.gz HQEIXTRHQPPTJV-UHFFFAOYSA-N 0 3 272.392 2.345 20 30 CEEDHN C=CCC1(NC(=O)N[C@@H](CN)C(F)(F)F)CCCC1 ZINC000659024822 415392423 /nfs/dbraw/zinc/39/24/23/415392423.db2.gz KKEZQYLBKIDFPX-VIFPVBQESA-N 0 3 279.306 2.064 20 30 CEEDHN CC(C)=CCN1CCCN(c2ncccc2C#N)CC1 ZINC000064633354 175696676 /nfs/dbraw/zinc/69/66/76/175696676.db2.gz VJUKPLLEYVUWJL-UHFFFAOYSA-N 0 3 270.380 2.432 20 30 CEEDHN C=CCN(C(=O)NC[C@@H]1CCCN1CCC)[C@@H](C)COC ZINC000664888678 415511011 /nfs/dbraw/zinc/51/10/11/415511011.db2.gz IMVDUIQIIWPXCT-GJZGRUSLSA-N 0 3 297.443 2.093 20 30 CEEDHN C=CCN1CC[C@H](N2CCC[C@@H]([C@@H]3CCCCO3)C2)C1=O ZINC000661877187 415518259 /nfs/dbraw/zinc/51/82/59/415518259.db2.gz WQCKUANVMDQDQJ-PMPSAXMXSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCCN(C)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000661896267 415523376 /nfs/dbraw/zinc/52/33/76/415523376.db2.gz FXPQHLBTBHUUNN-CQSZACIVSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCN(C(=O)C[C@@H](N)c1ccccc1)[C@H](C)COC ZINC000659339744 415527790 /nfs/dbraw/zinc/52/77/90/415527790.db2.gz LLUQRRGFEZCHOT-UKRRQHHQSA-N 0 3 276.380 2.126 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)Cc1ccco1 ZINC000662080622 415615408 /nfs/dbraw/zinc/61/54/08/415615408.db2.gz KTORUTBRUKHTTQ-OKILXGFUSA-N 0 3 274.364 2.421 20 30 CEEDHN COCC#CCNC1(c2cccc(OC)c2)CCC1 ZINC000662109161 415632791 /nfs/dbraw/zinc/63/27/91/415632791.db2.gz HGBGKYKBEYGNKU-UHFFFAOYSA-N 0 3 259.349 2.314 20 30 CEEDHN C=CCN(C(=O)N[C@@H]1CCN(C(C)(C)C)C1)[C@H](C)COC ZINC000665552759 415778103 /nfs/dbraw/zinc/77/81/03/415778103.db2.gz IEOBHIQPIVOCAD-ZIAGYGMSSA-N 0 3 297.443 2.092 20 30 CEEDHN CCCCN(CCO)CCOc1ccc(C#N)cc1OC ZINC000077264920 177246210 /nfs/dbraw/zinc/24/62/10/177246210.db2.gz FCUNOTHLRSSDKK-UHFFFAOYSA-N 0 3 292.379 2.040 20 30 CEEDHN N#CCCCOc1cccc(CNC[C@H](O)C(F)F)c1 ZINC000344765582 225159500 /nfs/dbraw/zinc/15/95/00/225159500.db2.gz PJQYDFOICJKCOC-ZDUSSCGKSA-N 0 3 284.306 2.085 20 30 CEEDHN Cc1nc(C)c([C@H](C)N(C)C(=O)C(C)C#N)s1 ZINC000334760898 225311560 /nfs/dbraw/zinc/31/15/60/225311560.db2.gz WDAYBLYZSVXBNF-APPZFPTMSA-N 0 3 251.355 2.439 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)CC2CCC2)CC1 ZINC000171907844 335084325 /nfs/dbraw/zinc/08/43/25/335084325.db2.gz PLKYZRQXWQGHFL-UHFFFAOYSA-N 0 3 265.401 2.078 20 30 CEEDHN Cc1noc(C(C)(C)NC(=O)C2CCN(C3CC3)CC2)n1 ZINC000329042500 227270019 /nfs/dbraw/zinc/27/00/19/227270019.db2.gz IPEFCQVUBHKHGF-UHFFFAOYSA-N 0 3 292.383 2.444 20 30 CEEDHN O=C(NC1CC(N2CCCCC2)C1)c1nccn2ccnc12 ZINC000329089301 227290380 /nfs/dbraw/zinc/29/03/80/227290380.db2.gz WADUSPWFJQBBER-UHFFFAOYSA-N 0 3 299.378 2.051 20 30 CEEDHN N#Cc1csc(CN2CCC[C@@H]2CN2CCCC2)n1 ZINC000356081642 228113891 /nfs/dbraw/zinc/11/38/91/228113891.db2.gz FYAWVRVNVJCTRY-CYBMUJFWSA-N 0 3 276.409 2.075 20 30 CEEDHN C[C@H](C(=O)NCCN1CCC[C@@H](C)C1)c1cncnc1 ZINC000330308909 228122786 /nfs/dbraw/zinc/12/27/86/228122786.db2.gz TVQVOZZDRYNAIQ-OLZOCXBDSA-N 0 3 276.384 2.269 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000333549756 228203734 /nfs/dbraw/zinc/20/37/34/228203734.db2.gz JFTNFQDDRAGKSB-GXFFZTMASA-N 0 3 270.336 2.104 20 30 CEEDHN C=CCCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000665945233 419485417 /nfs/dbraw/zinc/48/54/17/419485417.db2.gz GMCVLOPHHFRXOB-CQSZACIVSA-N 0 3 265.401 2.222 20 30 CEEDHN C=CCOc1ccccc1CN[C@H](C)CN1CCCC1=O ZINC000037782496 260117574 /nfs/dbraw/zinc/11/75/74/260117574.db2.gz LVTRSOUJPCPOML-CQSZACIVSA-N 0 3 288.391 2.352 20 30 CEEDHN C#C[C@H](C)NCc1ccccc1N1CCO[C@@H](C)C1 ZINC000298214665 260147522 /nfs/dbraw/zinc/14/75/22/260147522.db2.gz ZKXFWYONWIIYAB-KBPBESRZSA-N 0 3 258.365 2.023 20 30 CEEDHN C=CCC[C@H](NCC(=O)NCCCOC)c1ccccc1 ZINC000298837978 260163694 /nfs/dbraw/zinc/16/36/94/260163694.db2.gz HTAXFTKRLVVZJN-INIZCTEOSA-N 0 3 290.407 2.436 20 30 CEEDHN C=CCNC(=O)CN[C@@H](C)Cc1coc2ccccc12 ZINC000449253981 260318762 /nfs/dbraw/zinc/31/87/62/260318762.db2.gz VMROGMXOEFWQJA-LBPRGKRZSA-N 0 3 272.348 2.256 20 30 CEEDHN C#C[C@H](CC)N[C@@H](C)Cn1cc(Br)cn1 ZINC000309246114 260331803 /nfs/dbraw/zinc/33/18/03/260331803.db2.gz ZEIRFKJMZLBOEG-GXSJLCMTSA-N 0 3 270.174 2.036 20 30 CEEDHN CC1(C)[C@H](O)C[C@@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000128283145 260372952 /nfs/dbraw/zinc/37/29/52/260372952.db2.gz CNSAWTBALIZGAL-KRIMKBQASA-N 0 3 270.376 2.359 20 30 CEEDHN C=CCCCNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000448390692 261139761 /nfs/dbraw/zinc/13/97/61/261139761.db2.gz UWZMOTHTQOCDGM-QWHCGFSZSA-N 0 3 253.390 2.077 20 30 CEEDHN C#CCN(CC)Cc1ccc(OCC(=O)OCC)cc1 ZINC000490898871 261239931 /nfs/dbraw/zinc/23/99/31/261239931.db2.gz MMURSMUIDJNMCA-UHFFFAOYSA-N 0 3 275.348 2.084 20 30 CEEDHN CCN(CC1CCC1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000361480895 261289466 /nfs/dbraw/zinc/28/94/66/261289466.db2.gz HMJBRKKIBMVKDL-GFCCVEGCSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC2(C)CCC2)CC1 ZINC000176627205 261300601 /nfs/dbraw/zinc/30/06/01/261300601.db2.gz WTRVXKZDHOMUNE-UHFFFAOYSA-N 0 3 265.401 2.126 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000177552515 261360473 /nfs/dbraw/zinc/36/04/73/261360473.db2.gz CNIBRLIYEPZPPV-IJEWVQPXSA-N 0 3 277.412 2.163 20 30 CEEDHN N#CC1(NC(=O)CN2C[C@H]3CCCC[C@@H]3C2)CCCCC1 ZINC000177578968 261363434 /nfs/dbraw/zinc/36/34/34/261363434.db2.gz WWFYJHJRQUKPQN-HUUCEWRRSA-N 0 3 289.423 2.451 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)CC1CCCCC1 ZINC000491251658 261389137 /nfs/dbraw/zinc/38/91/37/261389137.db2.gz BDDSQSSZZREKKY-UHFFFAOYSA-N 0 3 279.428 2.163 20 30 CEEDHN Cc1cc(NC(=O)CC#N)ccc1OCCN1CCCC1 ZINC000186737213 262107733 /nfs/dbraw/zinc/10/77/33/262107733.db2.gz KOOHIEAMHDWIDL-UHFFFAOYSA-N 0 3 287.363 2.322 20 30 CEEDHN C#C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000364309384 262197988 /nfs/dbraw/zinc/19/79/88/262197988.db2.gz HPFOYIWPNRUFHT-INIZCTEOSA-N 0 3 299.418 2.234 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)c2cccc(F)c2C#N)C1 ZINC000188266296 262286803 /nfs/dbraw/zinc/28/68/03/262286803.db2.gz MHNGHOXNCKDNMZ-LBPRGKRZSA-N 0 3 289.354 2.159 20 30 CEEDHN CC(C)(C)OC(=O)N1CCC(NCC2(C#N)CC2)CC1 ZINC000496478571 262347390 /nfs/dbraw/zinc/34/73/90/262347390.db2.gz YOEULTSGPOBDSC-UHFFFAOYSA-N 0 3 279.384 2.279 20 30 CEEDHN C=CCOc1ccccc1C(=O)NCCN1CC[C@H](C)C1 ZINC000525805099 262367650 /nfs/dbraw/zinc/36/76/50/262367650.db2.gz OMGFVIGSVDVCIP-AWEZNQCLSA-N 0 3 288.391 2.323 20 30 CEEDHN N#CC1(c2ccccc2)CC(NCC2(CCO)CC2)C1 ZINC000097817741 262567829 /nfs/dbraw/zinc/56/78/29/262567829.db2.gz GBPNFRVNLKFMTC-UHFFFAOYSA-N 0 3 270.376 2.363 20 30 CEEDHN C=CCOCCCN1CCOC[C@@H]1CC1CCC1 ZINC000339770648 262670205 /nfs/dbraw/zinc/67/02/05/262670205.db2.gz FEKLRVSYZGHYKL-HNNXBMFYSA-N 0 3 253.386 2.470 20 30 CEEDHN COC(=O)[C@H](C)Oc1ccc(CNCCCC#N)cc1 ZINC000273207210 263013912 /nfs/dbraw/zinc/01/39/12/263013912.db2.gz SKGRCCHFCKXMHN-LBPRGKRZSA-N 0 3 276.336 2.020 20 30 CEEDHN CN(C)CCc1ccccc1NC(=O)C1(C#N)CCC1 ZINC000275709455 263034050 /nfs/dbraw/zinc/03/40/50/263034050.db2.gz YUUAFUGBUWRDPO-UHFFFAOYSA-N 0 3 271.364 2.423 20 30 CEEDHN C[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279639450 263056370 /nfs/dbraw/zinc/05/63/70/263056370.db2.gz WNVNFDNVAYJXLH-SWLSCSKDSA-N 0 3 267.332 2.109 20 30 CEEDHN CN(CC(F)(F)F)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279683956 263056825 /nfs/dbraw/zinc/05/68/25/263056825.db2.gz HCJMNXXEWQGJSX-LBPRGKRZSA-N 0 3 295.264 2.261 20 30 CEEDHN C=CCN1CC[C@@H](N(C)CCCC(C)(C)C#N)C1=O ZINC000281354319 263068228 /nfs/dbraw/zinc/06/82/28/263068228.db2.gz NHUZHRJJQCLSMA-CYBMUJFWSA-N 0 3 263.385 2.035 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@@H](OCCOC)C1 ZINC000438547546 263071692 /nfs/dbraw/zinc/07/16/92/263071692.db2.gz RRVIATKPGUBXST-MRXNPFEDSA-N 0 3 291.391 2.489 20 30 CEEDHN N#CCCCCN1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340211342 263094540 /nfs/dbraw/zinc/09/45/40/263094540.db2.gz VQRPIYPODAQNBE-QWRGUYRKSA-N 0 3 264.291 2.458 20 30 CEEDHN CN(CCC(C)(C)C#N)C[C@H](O)Cc1ccccc1 ZINC000293474007 263141615 /nfs/dbraw/zinc/14/16/15/263141615.db2.gz XOULACMNAPYRDV-OAHLLOKOSA-N 0 3 260.381 2.462 20 30 CEEDHN N#CCCCCN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000293613462 263144370 /nfs/dbraw/zinc/14/43/70/263144370.db2.gz GRUVGTRTEJLFFE-ZDUSSCGKSA-N 0 3 273.315 2.317 20 30 CEEDHN N#CCCCCN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000340472760 263163956 /nfs/dbraw/zinc/16/39/56/263163956.db2.gz BBHPUGWFRIBITA-AWEZNQCLSA-N 0 3 273.315 2.317 20 30 CEEDHN CCC[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)OC ZINC000295434481 263177349 /nfs/dbraw/zinc/17/73/49/263177349.db2.gz NTHBMWKZVVYMGE-CVEARBPZSA-N 0 3 299.374 2.172 20 30 CEEDHN CN(CCOCCC#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296350157 263190492 /nfs/dbraw/zinc/19/04/92/263190492.db2.gz QJMMGLSMZNBUDY-AWEZNQCLSA-N 0 3 282.771 2.235 20 30 CEEDHN N#CCOc1ccc(CN2CCN(CC3CC3)CC2)cc1 ZINC000298678784 263224068 /nfs/dbraw/zinc/22/40/68/263224068.db2.gz DFNWOVVRJRIADR-UHFFFAOYSA-N 0 3 285.391 2.117 20 30 CEEDHN C=CCC[C@@H](O)CN[C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000341446587 263335866 /nfs/dbraw/zinc/33/58/66/263335866.db2.gz ANXGNVMYXTZQJG-CVEARBPZSA-N 0 3 290.407 2.123 20 30 CEEDHN C=CC[C@@H](CO)CN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000341883494 263363460 /nfs/dbraw/zinc/36/34/60/263363460.db2.gz JEQCNZYNZXESOX-ABAIWWIYSA-N 0 3 285.334 2.427 20 30 CEEDHN CC#CCN[C@@H](C)[C@H](Cc1ccccc1)C(=O)OC ZINC000342106212 263388399 /nfs/dbraw/zinc/38/83/99/263388399.db2.gz VWIKCLCAMKBNEY-ZFWWWQNUSA-N 0 3 259.349 2.020 20 30 CEEDHN C=C1CCN(C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000342110440 263389046 /nfs/dbraw/zinc/38/90/46/263389046.db2.gz WYHBFVGROAKZRK-IHRRRGAJSA-N 0 3 250.386 2.426 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC[C@@H]1CCCO1 ZINC000342611437 263461664 /nfs/dbraw/zinc/46/16/64/263461664.db2.gz XYDGKVPKRUHSIS-GJZGRUSLSA-N 0 3 282.428 2.300 20 30 CEEDHN C=CCCOCCCCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000342866949 263534718 /nfs/dbraw/zinc/53/47/18/263534718.db2.gz MXOQHRROLWMVPS-INIZCTEOSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCCOCCCCC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000342982860 263559534 /nfs/dbraw/zinc/55/95/34/263559534.db2.gz ZRAVOFVUBJBFKA-GOEBONIOSA-N 0 3 294.439 2.348 20 30 CEEDHN CN(C)[C@H](CC(=O)N[C@]1(C#N)CC1(C)C)c1ccccc1 ZINC000416235362 263681359 /nfs/dbraw/zinc/68/13/59/263681359.db2.gz SZLJMBSCFFSSJV-PBHICJAKSA-N 0 3 285.391 2.488 20 30 CEEDHN CN(Cc1ccccc1C(C)(C)C#N)[C@@]1(CO)CCOC1 ZINC000330804011 264042574 /nfs/dbraw/zinc/04/25/74/264042574.db2.gz KNBFNEOKCNZPMP-QGZVFWFLSA-N 0 3 288.391 2.071 20 30 CEEDHN CN(CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1CC=CCC1 ZINC000330846217 264066411 /nfs/dbraw/zinc/06/64/11/264066411.db2.gz OCPQORSKUAUZNH-GFCCVEGCSA-N 0 3 281.400 2.103 20 30 CEEDHN CC[C@@H](C(=O)NC1(C#N)CCCCC1)N(CC)CC ZINC000330905719 264074052 /nfs/dbraw/zinc/07/40/52/264074052.db2.gz RYDJAKDJEAZXJL-ZDUSSCGKSA-N 0 3 265.401 2.449 20 30 CEEDHN C[C@H]1COCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000330940866 264083483 /nfs/dbraw/zinc/08/34/83/264083483.db2.gz CQGPCLXHTIAZPJ-DZGCQCFKSA-N 0 3 272.348 2.006 20 30 CEEDHN CCCC[NH+]1CCC(NC(=O)c2csc(=O)[n-]2)CC1 ZINC000330981663 264102638 /nfs/dbraw/zinc/10/26/38/264102638.db2.gz OCWZBZCRGNSHLM-UHFFFAOYSA-N 0 3 283.397 2.418 20 30 CEEDHN C[C@@H](NC(=O)c1csc(=O)[n-]1)C(C)(C)C[NH+](C)C ZINC000331009190 264107287 /nfs/dbraw/zinc/10/72/87/264107287.db2.gz RGUAOENXRFPZBJ-MRVPVSSYSA-N 0 3 271.386 2.130 20 30 CEEDHN COC(=O)[C@@H]1CCN(Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000331067487 264112392 /nfs/dbraw/zinc/11/23/92/264112392.db2.gz RKIBTQPODRTVCW-CZUORRHYSA-N 0 3 286.375 2.384 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@H](CO)[C@@H]2C)c1 ZINC000425963376 264222790 /nfs/dbraw/zinc/22/27/90/264222790.db2.gz CHQLMFSJJXCVMQ-DZGCQCFKSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCc1cc(CN2CC[C@@H](CO)[C@@H]2C)cc(OC)c1O ZINC000425961104 264227367 /nfs/dbraw/zinc/22/73/67/264227367.db2.gz ROTOHJDJMNZZBQ-WFASDCNBSA-N 0 3 291.391 2.332 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000425456454 264329694 /nfs/dbraw/zinc/32/96/94/264329694.db2.gz WQBLTNAAJUSSHC-HOCLYGCPSA-N 0 3 291.439 2.372 20 30 CEEDHN C=CCCCN(C)CC(=O)NC(=O)NC1CCCCC1 ZINC000076736838 264343146 /nfs/dbraw/zinc/34/31/46/264343146.db2.gz TYCBFZZSVUWIOY-UHFFFAOYSA-N 0 3 281.400 2.043 20 30 CEEDHN COCC(C)(C)N1CCN(CC#Cc2ccccc2)CC1 ZINC000425500750 264363090 /nfs/dbraw/zinc/36/30/90/264363090.db2.gz CNHBDZACTCOCHO-UHFFFAOYSA-N 0 3 286.419 2.081 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(c2ccccc2)CCC1 ZINC000293859101 264983973 /nfs/dbraw/zinc/98/39/73/264983973.db2.gz BCLPIHXPRWIOEM-UHFFFAOYSA-N 0 3 284.403 2.180 20 30 CEEDHN C=CCOCCN1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000294144312 265000615 /nfs/dbraw/zinc/00/06/15/265000615.db2.gz OMDMIJGSDFEVQR-KRWDZBQOSA-N 0 3 274.408 2.048 20 30 CEEDHN C#CCCOc1ccc(CN2CCC[C@@H](O)CC2)cc1 ZINC000294084066 265007509 /nfs/dbraw/zinc/00/75/09/265007509.db2.gz RDEDVTYNOJRUMI-MRXNPFEDSA-N 0 3 273.376 2.436 20 30 CEEDHN CC1(C)CC[C@@H](CNCc2cnc3ccc(C#N)cn23)O1 ZINC000189728907 265953535 /nfs/dbraw/zinc/95/35/35/265953535.db2.gz SKZHOOIDQOBIIO-AWEZNQCLSA-N 0 3 284.363 2.253 20 30 CEEDHN C=CCN(C[C@H](O)COCc1ccccc1OC)C1CC1 ZINC000357549668 266320200 /nfs/dbraw/zinc/32/02/00/266320200.db2.gz CMPRVXUHSGFRRM-INIZCTEOSA-N 0 3 291.391 2.223 20 30 CEEDHN C=C(C)COCCNCc1c(C)cc(OC)nc1C ZINC000358980004 266517294 /nfs/dbraw/zinc/51/72/94/266517294.db2.gz NQFAUONENUERBN-UHFFFAOYSA-N 0 3 264.369 2.389 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(CCO)CC1CCCCC1 ZINC000362577820 267010620 /nfs/dbraw/zinc/01/06/20/267010620.db2.gz BVQJFILIEOXGOV-UHFFFAOYSA-N 0 3 294.439 2.062 20 30 CEEDHN CCN(CC)CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425120873 267056958 /nfs/dbraw/zinc/05/69/58/267056958.db2.gz BGOVJHXEWDLHPI-ZDUSSCGKSA-N 0 3 273.380 2.419 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000362898441 267058695 /nfs/dbraw/zinc/05/86/95/267058695.db2.gz IINFUOONEDVDRM-WMLDXEAASA-N 0 3 299.418 2.027 20 30 CEEDHN N#CCNC(=O)CN1CCC[C@H]1CCC1CCCC1 ZINC000362965476 267068556 /nfs/dbraw/zinc/06/85/56/267068556.db2.gz CCAWNVNFKKYRCQ-AWEZNQCLSA-N 0 3 263.385 2.061 20 30 CEEDHN C#CCCN1CCc2c(cccc2N2CCOC2=O)C1 ZINC000363163632 267077107 /nfs/dbraw/zinc/07/71/07/267077107.db2.gz AFRARIVICZHYIV-UHFFFAOYSA-N 0 3 270.332 2.025 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000334917677 267121872 /nfs/dbraw/zinc/12/18/72/267121872.db2.gz QKEIYPYEEYZIQS-YGRLFVJLSA-N 0 3 253.305 2.212 20 30 CEEDHN CCOC(=O)N1CC[C@@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000495997297 267124920 /nfs/dbraw/zinc/12/49/20/267124920.db2.gz DBMLRMRFVQOARE-ZBFHGGJFSA-N 0 3 299.374 2.366 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@H]3CCCC[C@H]32)CC1 ZINC000367902028 267125955 /nfs/dbraw/zinc/12/59/55/267125955.db2.gz OOJLKWUBPHEEHY-UKRRQHHQSA-N 0 3 277.412 2.221 20 30 CEEDHN C#Cc1ccc(CN2CCCN(C3CC3)CC2)cc1 ZINC000368032034 267139362 /nfs/dbraw/zinc/13/93/62/267139362.db2.gz XFLNDUMEWVVYQN-UHFFFAOYSA-N 0 3 254.377 2.338 20 30 CEEDHN CC#CCCN1CCC[C@H](c2ccnc(COC)n2)C1 ZINC000368152971 267149370 /nfs/dbraw/zinc/14/93/70/267149370.db2.gz ROFJGMKMEGHWTG-AWEZNQCLSA-N 0 3 273.380 2.216 20 30 CEEDHN C#CCOc1ccccc1CN1CCC2(CCO2)CC1 ZINC000368518484 267179192 /nfs/dbraw/zinc/17/91/92/267179192.db2.gz LZHSBXIMNZKCDT-UHFFFAOYSA-N 0 3 271.360 2.454 20 30 CEEDHN CC[C@@H](C)N1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000449622401 267184578 /nfs/dbraw/zinc/18/45/78/267184578.db2.gz DWLPFOLMKNFCTC-CQSZACIVSA-N 0 3 297.406 2.122 20 30 CEEDHN CC[C@@H](N[C@@H](CC)c1ccc(C#N)cc1)C(=O)NC ZINC000453396769 267195384 /nfs/dbraw/zinc/19/53/84/267195384.db2.gz HPLBOABFDWMJIZ-UONOGXRCSA-N 0 3 259.353 2.124 20 30 CEEDHN CC[C@@H](N[C@H](CC)c1ccc(C#N)cc1)C(=O)NC ZINC000453396770 267197846 /nfs/dbraw/zinc/19/78/46/267197846.db2.gz HPLBOABFDWMJIZ-ZIAGYGMSSA-N 0 3 259.353 2.124 20 30 CEEDHN C[C@@H]1CCOCCN1CCCC1(C#N)CCOCC1 ZINC000369191510 267225517 /nfs/dbraw/zinc/22/55/17/267225517.db2.gz ASAXQLJGZZITGK-CQSZACIVSA-N 0 3 266.385 2.198 20 30 CEEDHN C#CCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000369296432 267233252 /nfs/dbraw/zinc/23/32/52/267233252.db2.gz CNJIIMJTYNVWBT-UHFFFAOYSA-N 0 3 270.376 2.038 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1C[C@@H]2CCCCCC[C@H]21 ZINC000369452854 267243326 /nfs/dbraw/zinc/24/33/26/267243326.db2.gz RBOBYJLVTLAQEZ-MELADBBJSA-N 0 3 250.386 2.332 20 30 CEEDHN CCCCCCCN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000369592563 267250846 /nfs/dbraw/zinc/25/08/46/267250846.db2.gz RUPMXZIGBHXWLC-JKSUJKDBSA-N 0 3 268.445 2.488 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000421714532 267308808 /nfs/dbraw/zinc/30/88/08/267308808.db2.gz VRMMIBHOBKGHIK-MRXNPFEDSA-N 0 3 297.402 2.142 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000418151067 267375340 /nfs/dbraw/zinc/37/53/40/267375340.db2.gz SCWHJFRXTHLQSR-OWCLPIDISA-N 0 3 287.407 2.477 20 30 CEEDHN C=CCCS(=O)(=O)NC[C@@H]1CCCCN1CCCC ZINC000120117144 267383739 /nfs/dbraw/zinc/38/37/39/267383739.db2.gz BREORYUKXKJOGU-AWEZNQCLSA-N 0 3 288.457 2.137 20 30 CEEDHN CCO[C@H]1C[C@@H](O)C12CCN(CCC(C)(C)C#N)CC2 ZINC000305804585 268001470 /nfs/dbraw/zinc/00/14/70/268001470.db2.gz YRJPJLUEEUIHQR-KGLIPLIRSA-N 0 3 280.412 2.178 20 30 CEEDHN Cc1ccnc(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1C#N ZINC000488741537 268064409 /nfs/dbraw/zinc/06/44/09/268064409.db2.gz ZKCUXVKNGTUECT-DUVNUKRYSA-N 0 3 284.407 2.428 20 30 CEEDHN N#CCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000431104071 268156552 /nfs/dbraw/zinc/15/65/52/268156552.db2.gz RZGABXIFXBGGTE-HNNXBMFYSA-N 0 3 292.342 2.051 20 30 CEEDHN N#Cc1c(CN2CC[C@H](CCCO)C2)cn2ccccc12 ZINC000452128396 268158953 /nfs/dbraw/zinc/15/89/53/268158953.db2.gz MCOCDMBPOSFQMR-AWEZNQCLSA-N 0 3 283.375 2.405 20 30 CEEDHN N#Cc1cccc(NC[C@H]2CCN2C2CCCC2)n1 ZINC000528208636 268282303 /nfs/dbraw/zinc/28/23/03/268282303.db2.gz KOOJKILIONUSGP-CQSZACIVSA-N 0 3 256.353 2.382 20 30 CEEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC2(CC2)CC1 ZINC000528432565 268300585 /nfs/dbraw/zinc/30/05/85/268300585.db2.gz LWTKGRDPBWHWHU-OAHLLOKOSA-N 0 3 286.375 2.174 20 30 CEEDHN CC(C)[C@H]1CN(Cc2ccc(F)c(C#N)c2)CCN1C ZINC000487999406 269633105 /nfs/dbraw/zinc/63/31/05/269633105.db2.gz ADKRVIDQSVDJGG-MRXNPFEDSA-N 0 3 275.371 2.469 20 30 CEEDHN CC(C)N(C)CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425130768 271125919 /nfs/dbraw/zinc/12/59/19/271125919.db2.gz OJPCOMAUFVMJCK-CYBMUJFWSA-N 0 3 273.380 2.418 20 30 CEEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc(C#N)o2)C1 ZINC000429809206 271346395 /nfs/dbraw/zinc/34/63/95/271346395.db2.gz RHEUOIRZLRYXDM-GFCCVEGCSA-N 0 3 289.379 2.392 20 30 CEEDHN CO[C@@H](C)CN1CCCN(c2ccc(C#N)cc2)CC1 ZINC000368481038 274056198 /nfs/dbraw/zinc/05/61/98/274056198.db2.gz FISIKBFUHZRTLX-AWEZNQCLSA-N 0 3 273.380 2.105 20 30 CEEDHN C[C@@H](CO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000352808693 274228447 /nfs/dbraw/zinc/22/84/47/274228447.db2.gz CWJYDHPPUBZDHL-QMMMGPOBSA-N 0 3 258.243 2.047 20 30 CEEDHN CC(C)CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000048695252 275577190 /nfs/dbraw/zinc/57/71/90/275577190.db2.gz LJNRHISFLXNFTJ-UHFFFAOYSA-N 0 3 257.381 2.332 20 30 CEEDHN CN1CC[C@H](Nc2ccc(C#N)nn2)[C@H]1c1ccccc1 ZINC000301914593 277173705 /nfs/dbraw/zinc/17/37/05/277173705.db2.gz DAPUWNRHWOZOIX-GOEBONIOSA-N 0 3 279.347 2.206 20 30 CEEDHN CN1C[C@@H]2CCCN(c3cccc(F)c3C#N)[C@@H]2C1 ZINC000334670912 277195960 /nfs/dbraw/zinc/19/59/60/277195960.db2.gz JJIHCGZDYDHTEX-XHDPSFHLSA-N 0 3 259.328 2.228 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](N2CCCC2=O)C1 ZINC000276125188 278309928 /nfs/dbraw/zinc/30/99/28/278309928.db2.gz ZJWFGRREZLROAK-CZUORRHYSA-N 0 3 283.375 2.316 20 30 CEEDHN C[C@H](CO[C@@H]1CCOC1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353249109 279362042 /nfs/dbraw/zinc/36/20/42/279362042.db2.gz CMAGFAIUINJTJF-SRCQZFHVSA-N 0 3 286.375 2.329 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](CC(N)=O)C1 ZINC000249087383 280383454 /nfs/dbraw/zinc/38/34/54/280383454.db2.gz CGVHTRPDTYQREA-OCCSQVGLSA-N 0 3 271.364 2.207 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)c2ccc(C#N)[nH]2)c1 ZINC000157289650 289211053 /nfs/dbraw/zinc/21/10/53/289211053.db2.gz CEFYFNKKTLXKNR-UHFFFAOYSA-N 0 3 268.320 2.200 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000362931804 290220367 /nfs/dbraw/zinc/22/03/67/290220367.db2.gz LOQYECZNIRBJAT-FHLIZLRMSA-N 0 3 299.418 2.150 20 30 CEEDHN N#Cc1ccc(CNCCNc2ccccn2)cc1 ZINC000347825590 294915832 /nfs/dbraw/zinc/91/58/32/294915832.db2.gz DVAIVJQCIUVOLU-UHFFFAOYSA-N 0 3 252.321 2.155 20 30 CEEDHN C[C@@H](Nc1ccc(C#N)c(N)n1)[C@H](c1ccccc1)N(C)C ZINC000566485837 298995317 /nfs/dbraw/zinc/99/53/17/298995317.db2.gz WHPUFDXYULABNS-MLGOLLRUSA-N 0 3 295.390 2.061 20 30 CEEDHN Cc1ccnc(N2CCN(C3CC3)C[C@@H](C)C2)c1C#N ZINC000295046312 302272249 /nfs/dbraw/zinc/27/22/49/302272249.db2.gz XOIJMXDKXQNPBH-GFCCVEGCSA-N 0 3 270.380 2.182 20 30 CEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Cc2cccc(C#N)c2)C1 ZINC000533194603 313364408 /nfs/dbraw/zinc/36/44/08/313364408.db2.gz 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328255120 /nfs/dbraw/zinc/25/51/20/328255120.db2.gz GDLYKFOZJRRIBO-GJZGRUSLSA-N 0 3 298.342 2.053 20 30 CEEDHN CC[C@H](C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)N(C)C ZINC000298809917 328297548 /nfs/dbraw/zinc/29/75/48/328297548.db2.gz FVOWQSQDYDCGFS-QWHCGFSZSA-N 0 3 279.771 2.361 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccccc2F)CC1 ZINC000048963124 328326934 /nfs/dbraw/zinc/32/69/34/328326934.db2.gz CJKNCUDYGPIWHO-UHFFFAOYSA-N 0 3 260.312 2.109 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@@H](c2nccn2C)C1 ZINC000580694817 322335866 /nfs/dbraw/zinc/33/58/66/322335866.db2.gz JLDXNEVKMUMGTA-CQSZACIVSA-N 0 3 296.374 2.290 20 30 CEEDHN C=CCC[C@H](NC[C@@](C)(O)COC)c1ccco1 ZINC000556881196 326977648 /nfs/dbraw/zinc/97/76/48/326977648.db2.gz HRLLYBRHAUXMDB-GXTWGEPZSA-N 0 3 253.342 2.274 20 30 CEEDHN CC[C@@H](CN1CCC(C#N)(c2ccccn2)CC1)OC ZINC000557259502 326998978 /nfs/dbraw/zinc/99/89/78/326998978.db2.gz ILMUGVGEENLKPA-AWEZNQCLSA-N 0 3 273.380 2.364 20 30 CEEDHN CC(C#N)C(=O)NCCCCOCc1ccccc1 ZINC000347032820 327274742 /nfs/dbraw/zinc/27/47/42/327274742.db2.gz GWNKIYJLJVTSQM-CYBMUJFWSA-N 0 3 260.337 2.259 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(C3CCC3)C2)cc1 ZINC000561096778 327365720 /nfs/dbraw/zinc/36/57/20/327365720.db2.gz GXNQZHFZDNCLCD-INIZCTEOSA-N 0 3 293.370 2.499 20 30 CEEDHN CCC[C@](C)(N)C(=O)N1CCC(CCC#N)CC1 ZINC000569849071 327551974 /nfs/dbraw/zinc/55/19/74/327551974.db2.gz RMGVDSOTDRFEKH-AWEZNQCLSA-N 0 3 251.374 2.046 20 30 CEEDHN COC[C@@](C)(O)CN[C@H](CCC#N)c1ccc(OC)cc1 ZINC000570170376 327573833 /nfs/dbraw/zinc/57/38/33/327573833.db2.gz IYECHPNLYGWHTA-CVEARBPZSA-N 0 3 292.379 2.027 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2CCCC23CC3)CC1 ZINC000528450614 327604338 /nfs/dbraw/zinc/60/43/38/327604338.db2.gz VVVUHRUMTMJZAJ-CQSZACIVSA-N 0 3 262.397 2.333 20 30 CEEDHN Cn1nc2c(c1CN[C@H]1CCC[C@@H](C#N)C1)CCCC2 ZINC000336344333 328749953 /nfs/dbraw/zinc/74/99/53/328749953.db2.gz DMHNECWHRGAGQK-OLZOCXBDSA-N 0 3 272.396 2.471 20 30 CEEDHN CC#CCCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000361368759 328921184 /nfs/dbraw/zinc/92/11/84/328921184.db2.gz GXAAFYXGEKNUFK-MRXNPFEDSA-N 0 3 287.407 2.310 20 30 CEEDHN N#C[C@H]1CCC[C@H](NCc2cnc3n2CCCC3)C1 ZINC000375266988 329002105 /nfs/dbraw/zinc/00/21/05/329002105.db2.gz HRONQADYTOPJMK-STQMWFEESA-N 0 3 258.369 2.391 20 30 CEEDHN C#CCCOc1ccc(CN2CC[C@H](n3cncn3)C2)cc1 ZINC000377282173 329009669 /nfs/dbraw/zinc/00/96/69/329009669.db2.gz BPIMKGBBCCLOMY-INIZCTEOSA-N 0 3 296.374 2.127 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)CC)CC1 ZINC000171739715 329079839 /nfs/dbraw/zinc/07/98/39/329079839.db2.gz NWTKIHRVNISTJF-LBPRGKRZSA-N 0 3 253.390 2.077 20 30 CEEDHN C#CCOc1ccccc1CN[C@H]1Cc2ccccc2[C@H]1O ZINC000172068777 329080677 /nfs/dbraw/zinc/08/06/77/329080677.db2.gz WALGMNMFDLMSPO-PKOBYXMFSA-N 0 3 293.366 2.447 20 30 CEEDHN C[C@H](C(=O)NCCCCC#N)N1CCCCCC1 ZINC000172128367 329081448 /nfs/dbraw/zinc/08/14/48/329081448.db2.gz VRXADCXYDHKKJP-CYBMUJFWSA-N 0 3 251.374 2.061 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@H]2C2CC2)CC1 ZINC000176015471 329173451 /nfs/dbraw/zinc/17/34/51/329173451.db2.gz MHXRBYAHWIVETJ-HUUCEWRRSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000179786770 329212131 /nfs/dbraw/zinc/21/21/31/329212131.db2.gz KCCVOQXUOYWNAR-GDBMZVCRSA-N 0 3 294.439 2.491 20 30 CEEDHN C[C@@H](C#N)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000181967379 329238552 /nfs/dbraw/zinc/23/85/52/329238552.db2.gz HDMWEGSYCASEBS-RRFJBIMHSA-N 0 3 279.428 2.110 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC000183676677 329249284 /nfs/dbraw/zinc/24/92/84/329249284.db2.gz BEIZHOWKRPWOIS-QWHCGFSZSA-N 0 3 252.402 2.435 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000185128172 329268618 /nfs/dbraw/zinc/26/86/18/329268618.db2.gz XHWSKXKYUVRKIB-KGLIPLIRSA-N 0 3 252.402 2.437 20 30 CEEDHN CC1(C#N)CN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000582912856 329287849 /nfs/dbraw/zinc/28/78/49/329287849.db2.gz JYODIMHJDQOZMQ-OAHLLOKOSA-N 0 3 255.365 2.106 20 30 CEEDHN C=CCC[C@@H](CO)NCc1nn(CC)c2ccccc12 ZINC000321526425 329370329 /nfs/dbraw/zinc/37/03/29/329370329.db2.gz YCKUQARHYAWSKT-ZDUSSCGKSA-N 0 3 273.380 2.473 20 30 CEEDHN COc1cccc([C@H](CNc2ccncc2C#N)N(C)C)c1 ZINC000399376340 329451938 /nfs/dbraw/zinc/45/19/38/329451938.db2.gz GUPRHSJFHSOALK-KRWDZBQOSA-N 0 3 296.374 2.099 20 30 CEEDHN CC[C@](C)(NCc1ccccc1C(C)(C)C#N)C(N)=O ZINC000135275482 329665134 /nfs/dbraw/zinc/66/51/34/329665134.db2.gz XJGRTFJZWKYVDW-INIZCTEOSA-N 0 3 273.380 2.231 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)NCC1(C#N)CCC1 ZINC000419454990 329730802 /nfs/dbraw/zinc/73/08/02/329730802.db2.gz NNWAFGCTAOHJQI-KBPBESRZSA-N 0 3 292.427 2.242 20 30 CEEDHN CN(C)[C@@H](CC(=O)NCC1(C#N)CC1)c1ccccc1 ZINC000572011393 329937053 /nfs/dbraw/zinc/93/70/53/329937053.db2.gz AMDYBUVWZQBMNV-AWEZNQCLSA-N 0 3 271.364 2.099 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)COC)C(C)C ZINC000264087506 330060946 /nfs/dbraw/zinc/06/09/46/330060946.db2.gz FFNYFGQUCDGEPZ-LSDHHAIUSA-N 0 3 282.428 2.084 20 30 CEEDHN C=CCOc1ccc(C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000421700687 330068682 /nfs/dbraw/zinc/06/86/82/330068682.db2.gz FUENAUCBWVXKTN-HNNXBMFYSA-N 0 3 288.391 2.418 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@]12CCOC2 ZINC000422080550 330120335 /nfs/dbraw/zinc/12/03/35/330120335.db2.gz ZQIHHIAWEPOPRU-RDJZCZTQSA-N 0 3 284.359 2.150 20 30 CEEDHN C=CCNC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433018741 330123818 /nfs/dbraw/zinc/12/38/18/330123818.db2.gz FTPKDJMJMYTXKL-OAHLLOKOSA-N 0 3 271.364 2.313 20 30 CEEDHN C[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCCC#N)sc2C1 ZINC000424066768 330219509 /nfs/dbraw/zinc/21/95/09/330219509.db2.gz NVEMUUUHDXKAIK-ZJUUUORDSA-N 0 3 292.408 2.228 20 30 CEEDHN CSc1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000424080658 330221714 /nfs/dbraw/zinc/22/17/14/330221714.db2.gz SYEUEHHZWKTSIS-SNVBAGLBSA-N 0 3 263.366 2.368 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1nc(-c2ccco2)cs1 ZINC000424085399 330222932 /nfs/dbraw/zinc/22/29/32/330222932.db2.gz CUZMNCQIZVFLOG-SECBINFHSA-N 0 3 290.348 2.363 20 30 CEEDHN CCN(C(=O)[C@@H](N)CCCC#N)c1cccc(OC)c1 ZINC000424096847 330227783 /nfs/dbraw/zinc/22/77/83/330227783.db2.gz PYLMUUCHIBQOIX-AWEZNQCLSA-N 0 3 275.352 2.069 20 30 CEEDHN N#C[C@H]1CC[C@@H](N[C@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000424132350 330264459 /nfs/dbraw/zinc/26/44/59/330264459.db2.gz WHTNRBIHZBPACV-IACUBPJLSA-N 0 3 291.782 2.018 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000424138456 330276611 /nfs/dbraw/zinc/27/66/11/330276611.db2.gz MRUJIEFLQVQLCM-OWCLPIDISA-N 0 3 285.391 2.460 20 30 CEEDHN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424144473 330289902 /nfs/dbraw/zinc/28/99/02/330289902.db2.gz SKROKWVRGXLCTM-UGFHNGPFSA-N 0 3 271.364 2.057 20 30 CEEDHN CN1C(=O)c2ccccc2[C@@H]1CN[C@H]1CC[C@@H](C#N)C1 ZINC000528003459 330300291 /nfs/dbraw/zinc/30/02/91/330300291.db2.gz PBHGYYZVDRVBJT-XUJVJEKNSA-N 0 3 269.348 2.095 20 30 CEEDHN CCN(C(=O)[C@@H](N)CCCC#N)[C@@H](C)c1cccnc1 ZINC000424165395 330309186 /nfs/dbraw/zinc/30/91/86/330309186.db2.gz BJOBIAMJMGFHKJ-JSGCOSHPSA-N 0 3 274.368 2.012 20 30 CEEDHN Cc1cc(N(C)C)cc(C)c1NC(=O)[C@@H](N)CCCC#N ZINC000424166126 330309241 /nfs/dbraw/zinc/30/92/41/330309241.db2.gz CEADCQWDJFYLSY-AWEZNQCLSA-N 0 3 288.395 2.329 20 30 CEEDHN C=CCOc1ccccc1CNCCCCS(C)(=O)=O ZINC000424173400 330313765 /nfs/dbraw/zinc/31/37/65/330313765.db2.gz PRNNFUCWXIQIIG-UHFFFAOYSA-N 0 3 297.420 2.166 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC(c2ccsc2)CC1 ZINC000424177752 330317681 /nfs/dbraw/zinc/31/76/81/330317681.db2.gz VCCMTTSOVUAQFN-AWEZNQCLSA-N 0 3 291.420 2.475 20 30 CEEDHN CC(C)(C)C[C@H](NC(=O)[C@@H](N)CCCC#N)C(F)(F)F ZINC000424187578 330321030 /nfs/dbraw/zinc/32/10/30/330321030.db2.gz JISIMEOGSSWMSW-UWVGGRQHSA-N 0 3 293.333 2.491 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCCc2sccc21 ZINC000424196181 330325139 /nfs/dbraw/zinc/32/51/39/330325139.db2.gz VBWREQNTEOXQMX-NWDGAFQWSA-N 0 3 277.393 2.263 20 30 CEEDHN CCN(C(=O)[C@H](N)CCCC#N)[C@@H]1CCCC[C@@H]1C ZINC000424197848 330326120 /nfs/dbraw/zinc/32/61/20/330326120.db2.gz XHEWWDWPLUJKKW-BFHYXJOUSA-N 0 3 265.401 2.435 20 30 CEEDHN CN(C)C(=O)c1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424200409 330326565 /nfs/dbraw/zinc/32/65/65/330326565.db2.gz MILDJVHHDUCEHI-GXTWGEPZSA-N 0 3 271.364 2.170 20 30 CEEDHN C=CCOc1ccccc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000108342689 330353540 /nfs/dbraw/zinc/35/35/40/330353540.db2.gz ARQWMFFWLAKZBH-AWEZNQCLSA-N 0 3 288.391 2.323 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2(C)CCC2)CC1 ZINC000426714395 330514234 /nfs/dbraw/zinc/51/42/34/330514234.db2.gz CUWYWBHBANBKFH-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN CC[C@H](CC#N)NC(=O)c1ccccc1CN(C)C ZINC000433372438 330627242 /nfs/dbraw/zinc/62/72/42/330627242.db2.gz DOEJSOFOXWHQME-CYBMUJFWSA-N 0 3 259.353 2.170 20 30 CEEDHN C[C@H]1C[C@]1(C#N)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000448561981 330657280 /nfs/dbraw/zinc/65/72/80/330657280.db2.gz ITEDBFUMHWLKJX-KBXCAEBGSA-N 0 3 297.402 2.317 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCS2)CC1 ZINC000439242821 330735871 /nfs/dbraw/zinc/73/58/71/330735871.db2.gz AXJQSROPILXUFE-CYBMUJFWSA-N 0 3 268.426 2.039 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCS2)CC1 ZINC000439242823 330735879 /nfs/dbraw/zinc/73/58/79/330735879.db2.gz AXJQSROPILXUFE-ZDUSSCGKSA-N 0 3 268.426 2.039 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(OCCO)cc2)C1 ZINC000447572524 330870610 /nfs/dbraw/zinc/87/06/10/330870610.db2.gz CKKBWFUFUYBZBT-LSDHHAIUSA-N 0 3 274.364 2.230 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cnn(Cc2ccccc2)c1 ZINC000449518063 330933052 /nfs/dbraw/zinc/93/30/52/330933052.db2.gz IHGIXXBRRXTNDE-SJORKVTESA-N 0 3 283.375 2.365 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)c(OC)c1OC ZINC000449521861 330933626 /nfs/dbraw/zinc/93/36/26/330933626.db2.gz SUNANUPFYRHOMU-OLZOCXBDSA-N 0 3 293.363 2.146 20 30 CEEDHN C=C(CC)CNCc1cnc(N2CCOCC2)s1 ZINC000449735457 330947087 /nfs/dbraw/zinc/94/70/87/330947087.db2.gz UJGHASQMTCJCGV-UHFFFAOYSA-N 0 3 267.398 2.036 20 30 CEEDHN C=CCc1cc(CNC[C@H](O)C2CCC2)cc(OC)c1O ZINC000449741451 330947660 /nfs/dbraw/zinc/94/76/60/330947660.db2.gz UTGBXQVQMVZNOS-HNNXBMFYSA-N 0 3 291.391 2.380 20 30 CEEDHN C=C[C@@H](CO)Nc1ccnc2ccc(OC(C)C)cc21 ZINC000450533553 330985246 /nfs/dbraw/zinc/98/52/46/330985246.db2.gz VJUAQWYCZRJWMR-LBPRGKRZSA-N 0 3 272.348 2.403 20 30 CEEDHN C=CCN(CCCc1cc(CC)no1)CCOC ZINC000450840087 331002144 /nfs/dbraw/zinc/00/21/44/331002144.db2.gz WENWIQULISAAPS-UHFFFAOYSA-N 0 3 252.358 2.304 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000451202721 331020469 /nfs/dbraw/zinc/02/04/69/331020469.db2.gz NWUDNJWRVNPTAB-ZDUSSCGKSA-N 0 3 250.386 2.332 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451422040 331028755 /nfs/dbraw/zinc/02/87/55/331028755.db2.gz QZACXEAPFFMQSZ-XHSDSOJGSA-N 0 3 294.439 2.036 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@H]1C[C@](C)(OC)C1(C)C ZINC000451484672 331031244 /nfs/dbraw/zinc/03/12/44/331031244.db2.gz HIRXVQIPXNTHJM-BBRMVZONSA-N 0 3 282.428 2.204 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1c(C)nc2ccccn21 ZINC000451605954 331036289 /nfs/dbraw/zinc/03/62/89/331036289.db2.gz LSLCJNDDRVXHQS-OCCSQVGLSA-N 0 3 257.337 2.076 20 30 CEEDHN C=CC(C)(C)C(=O)N(CCC)CCN1CCN(CC)CC1 ZINC000451811091 331043301 /nfs/dbraw/zinc/04/33/01/331043301.db2.gz OWROBFJNUYQCIE-UHFFFAOYSA-N 0 3 295.471 2.075 20 30 CEEDHN N#CCc1ccc(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000451882346 331046070 /nfs/dbraw/zinc/04/60/70/331046070.db2.gz CUGMHCDSAVTRQX-KGLIPLIRSA-N 0 3 298.308 2.498 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cccc(C)c1 ZINC000452097588 331054135 /nfs/dbraw/zinc/05/41/35/331054135.db2.gz YOKFHWBXAHXKSQ-CHWSQXEVSA-N 0 3 289.379 2.046 20 30 CEEDHN CC(C)(CO)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000452810450 331078561 /nfs/dbraw/zinc/07/85/61/331078561.db2.gz CJGHYNKYVTZGSL-HNNXBMFYSA-N 0 3 288.391 2.284 20 30 CEEDHN CC1(C)OCC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000452924462 331080769 /nfs/dbraw/zinc/08/07/69/331080769.db2.gz IJJXTGMLNUAPDS-LSDHHAIUSA-N 0 3 286.375 2.443 20 30 CEEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000453337051 331118623 /nfs/dbraw/zinc/11/86/23/331118623.db2.gz BNVYXJRZXUNNCN-JSGCOSHPSA-N 0 3 251.374 2.442 20 30 CEEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(OC)ncc1F ZINC000453358431 331122068 /nfs/dbraw/zinc/12/20/68/331122068.db2.gz ODLPSXXLSQEVML-GHMZBOCLSA-N 0 3 268.332 2.207 20 30 CEEDHN C=CCOc1ccccc1CNC[C@@]1(C)CCC(=O)N1 ZINC000453586488 331134965 /nfs/dbraw/zinc/13/49/65/331134965.db2.gz HZTCABKHADKLBE-MRXNPFEDSA-N 0 3 274.364 2.010 20 30 CEEDHN CCN1CCC[C@H](NC(=O)Nc2cccc(CC#N)c2)C1 ZINC000455913193 331180806 /nfs/dbraw/zinc/18/08/06/331180806.db2.gz YRQZNNYZPUGGJS-HNNXBMFYSA-N 0 3 286.379 2.358 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000456142166 331185348 /nfs/dbraw/zinc/18/53/48/331185348.db2.gz DLQVRVVJKSSMNA-OAGGEKHMSA-N 0 3 284.359 2.219 20 30 CEEDHN COc1cccc([C@H]2C[C@H](NC(=O)C(C)C#N)C2)c1 ZINC000456518598 331194999 /nfs/dbraw/zinc/19/49/99/331194999.db2.gz VXWNLAMBJAGAOB-RAIGVLPGSA-N 0 3 258.321 2.217 20 30 CEEDHN C[C@@H](CNC(=O)N(C)CC(C)(C)C#N)N1CCCC[C@H]1C ZINC000457706663 331231839 /nfs/dbraw/zinc/23/18/39/331231839.db2.gz MBHZBRRTJBEMRN-KGLIPLIRSA-N 0 3 294.443 2.440 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)C1CN(C2CCCCC2)C1 ZINC000457831029 331235832 /nfs/dbraw/zinc/23/58/32/331235832.db2.gz MRZJMJVCUNFWIU-CVEARBPZSA-N 0 3 292.423 2.101 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(CCN(C)C)C(C)C ZINC000458989823 331264444 /nfs/dbraw/zinc/26/44/44/331264444.db2.gz QKZRMCVSJNUJIT-UHFFFAOYSA-N 0 3 255.406 2.180 20 30 CEEDHN C=C(CC)CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000459104670 331270489 /nfs/dbraw/zinc/27/04/89/331270489.db2.gz VOLOMAHAOAFFCG-QLFBSQMISA-N 0 3 279.428 2.324 20 30 CEEDHN C=CCOCCN(Cc1cnn(C)c1)CC(C)C ZINC000459601442 331290157 /nfs/dbraw/zinc/29/01/57/331290157.db2.gz XZRGVXJZWLYQIE-UHFFFAOYSA-N 0 3 251.374 2.081 20 30 CEEDHN CC(C)(C)c1nc(CN[C@H]2CCC[C@@H](C#N)C2)n[nH]1 ZINC000459684702 331294360 /nfs/dbraw/zinc/29/43/60/331294360.db2.gz VFAHBENCRMIVKA-MNOVXSKESA-N 0 3 261.373 2.274 20 30 CEEDHN C=CCCCC[C@H](C)N[C@@H](CO)c1ccnn1C ZINC000459696539 331294874 /nfs/dbraw/zinc/29/48/74/331294874.db2.gz BHUQKRYATFKZEL-STQMWFEESA-N 0 3 251.374 2.178 20 30 CEEDHN C[C@H]1[C@@H](CO)CCN1CC#Cc1ccc(Cl)cc1 ZINC000488768711 332024828 /nfs/dbraw/zinc/02/48/28/332024828.db2.gz XUXDYMXHFRTLPB-GXTWGEPZSA-N 0 3 263.768 2.394 20 30 CEEDHN CC(C#N)C(=O)N(C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000489427156 332051587 /nfs/dbraw/zinc/05/15/87/332051587.db2.gz OKDLYWCKBLMJEA-MCIONIFRSA-N 0 3 274.364 2.159 20 30 CEEDHN C=C[C@H]1CCCCN1CCc1nnnn1-c1ccccc1 ZINC000489450477 332053594 /nfs/dbraw/zinc/05/35/94/332053594.db2.gz QZTSUWNIIGYIQI-AWEZNQCLSA-N 0 3 283.379 2.245 20 30 CEEDHN C=CCCCS(=O)(=O)N(C)CCN(C(C)C)C(C)C ZINC000489654828 332063197 /nfs/dbraw/zinc/06/31/97/332063197.db2.gz ZPMWTYCREMYDKF-UHFFFAOYSA-N 0 3 290.473 2.333 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCC(C)(C)CCC#N ZINC000489920391 332072922 /nfs/dbraw/zinc/07/29/22/332072922.db2.gz BQQZOSYAGJHYSH-BETUJISGSA-N 0 3 265.401 2.305 20 30 CEEDHN C#C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C(C)C ZINC000490627567 332096713 /nfs/dbraw/zinc/09/67/13/332096713.db2.gz CEHRHHOLGJUSQK-DLBZAZTESA-N 0 3 299.418 2.068 20 30 CEEDHN C#CCN(C(=O)N[C@H]1CCN(C)[C@H](C)C1)C1CCCCC1 ZINC000490700472 332106047 /nfs/dbraw/zinc/10/60/47/332106047.db2.gz SYWCIUNLDWOMJQ-CABCVRRESA-N 0 3 291.439 2.447 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@@H](c1ccccc1C)C1CC1 ZINC000490924224 332130035 /nfs/dbraw/zinc/13/00/35/332130035.db2.gz OGLOIDXYIUERDP-XJKSGUPXSA-N 0 3 270.376 2.174 20 30 CEEDHN C#C[C@H](NCCC(=O)Nc1cccc(F)c1)C(C)C ZINC000491526082 332230491 /nfs/dbraw/zinc/23/04/91/332230491.db2.gz WZFSDIQIYIYNOA-AWEZNQCLSA-N 0 3 262.328 2.402 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1coc2cc(C)ccc12 ZINC000491625174 332249248 /nfs/dbraw/zinc/24/92/48/332249248.db2.gz HRYUFULBFIHKEK-UHFFFAOYSA-N 0 3 298.386 2.355 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)/C=C\CN(C)C ZINC000491684570 332285800 /nfs/dbraw/zinc/28/58/00/332285800.db2.gz GOCBEJGPXPCWQT-YFHOEESVSA-N 0 3 276.355 2.458 20 30 CEEDHN C#CCN(C)CCCNc1ccnc2nc(C)ccc12 ZINC000491693192 332289616 /nfs/dbraw/zinc/28/96/16/332289616.db2.gz CPTCTNKFYTXEQF-UHFFFAOYSA-N 0 3 268.364 2.305 20 30 CEEDHN C#CCN(CC)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000491695017 332290961 /nfs/dbraw/zinc/29/09/61/332290961.db2.gz BMIDFPRPKNDCPI-HNNXBMFYSA-N 0 3 258.365 2.161 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc3ocnc32)CC1 ZINC000491704470 332297810 /nfs/dbraw/zinc/29/78/10/332297810.db2.gz KOVQRNGWJJBEQY-UHFFFAOYSA-N 0 3 283.331 2.112 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(CCC)CCC1 ZINC000491712702 332304085 /nfs/dbraw/zinc/30/40/85/332304085.db2.gz ABENXWUIEJHZRI-UHFFFAOYSA-N 0 3 250.386 2.028 20 30 CEEDHN C#C[C@H](C)N(C)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000491731749 332313255 /nfs/dbraw/zinc/31/32/55/332313255.db2.gz BBHPVRYTEBEPLD-STQMWFEESA-N 0 3 275.348 2.080 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000491748539 332325581 /nfs/dbraw/zinc/32/55/81/332325581.db2.gz ORDHNJZMCLFHCD-CZUORRHYSA-N 0 3 287.407 2.473 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCCC[C@@H]1C(C)C ZINC000491751376 332327693 /nfs/dbraw/zinc/32/76/93/332327693.db2.gz XWWDPAZFKSWJBW-OAHLLOKOSA-N 0 3 279.428 2.162 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ocnc1-c1ccccc1 ZINC000491778783 332343805 /nfs/dbraw/zinc/34/38/05/332343805.db2.gz IJBMKVSXACCDFD-UHFFFAOYSA-N 0 3 297.358 2.027 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000491781750 332345815 /nfs/dbraw/zinc/34/58/15/332345815.db2.gz NXYQGBHARLRPCG-WBVHZDCISA-N 0 3 299.418 2.314 20 30 CEEDHN C#CCN1CCC(C(=O)NC2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000172476571 335106424 /nfs/dbraw/zinc/10/64/24/335106424.db2.gz CHUZZALDFIRZAP-KBPBESRZSA-N 0 3 276.424 2.273 20 30 CEEDHN CCOC(=O)N1CCC[C@@H]([C@H](C)NCC2(C#N)CC2)C1 ZINC000495543758 332522329 /nfs/dbraw/zinc/52/23/29/332522329.db2.gz RUGQMGUZGUOUAF-QWHCGFSZSA-N 0 3 279.384 2.137 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2cccc(N3CCOC3=O)c2)C1 ZINC000496873121 332563099 /nfs/dbraw/zinc/56/30/99/332563099.db2.gz GWBFTRQKPBWQSR-OCCSQVGLSA-N 0 3 285.347 2.425 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H]2CCCC[C@@H]2C1 ZINC000177532211 333060129 /nfs/dbraw/zinc/06/01/29/333060129.db2.gz HRZJPBIVTGKLOA-RBSFLKMASA-N 0 3 277.412 2.117 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2CSC)CC1 ZINC000178727569 333076904 /nfs/dbraw/zinc/07/69/04/333076904.db2.gz JRGWVUAKPPOZSL-AWEZNQCLSA-N 0 3 297.468 2.174 20 30 CEEDHN C=CCN1CC[C@H](N[C@H]2CCCC[C@H]2C(F)(F)F)C1=O ZINC000516865085 333084572 /nfs/dbraw/zinc/08/45/72/333084572.db2.gz NEJPSOCXKFPWBJ-WOPDTQHZSA-N 0 3 290.329 2.484 20 30 CEEDHN C=CCN1CC[C@@H](N[C@H]2CCCC[C@H]2C(F)(F)F)C1=O ZINC000516865084 333084619 /nfs/dbraw/zinc/08/46/19/333084619.db2.gz NEJPSOCXKFPWBJ-GRYCIOLGSA-N 0 3 290.329 2.484 20 30 CEEDHN C=CCOCCCC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000517031177 333090423 /nfs/dbraw/zinc/09/04/23/333090423.db2.gz JJIGSILDRJEIAE-INIZCTEOSA-N 0 3 288.391 2.054 20 30 CEEDHN C[C@@H](C#N)CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000517685322 333105654 /nfs/dbraw/zinc/10/56/54/333105654.db2.gz FWUGZKRJSCFYLX-AWEZNQCLSA-N 0 3 285.391 2.174 20 30 CEEDHN CC#CCCN(C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000185034451 333134646 /nfs/dbraw/zinc/13/46/46/333134646.db2.gz UNUORWIUMYWNEF-ZDUSSCGKSA-N 0 3 266.385 2.341 20 30 CEEDHN C#CCN(CCO[C@H]1CCCCO1)C1CCCC1 ZINC000193065728 333242272 /nfs/dbraw/zinc/24/22/72/333242272.db2.gz SHVAZWYBJZFIBM-HNNXBMFYSA-N 0 3 251.370 2.407 20 30 CEEDHN CCCC(=O)Nc1cccc(CNC(=O)C(C)C#N)c1 ZINC000522848320 333296862 /nfs/dbraw/zinc/29/68/62/333296862.db2.gz CMZIRRBJTIISDB-NSHDSACASA-N 0 3 273.336 2.201 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(F)cn1 ZINC000529554908 333497524 /nfs/dbraw/zinc/49/75/24/333497524.db2.gz GGIVZTPMIVUZRI-RISCZKNCSA-N 0 3 250.317 2.292 20 30 CEEDHN COC[C@]1(N[C@@H]2CC[C@H](C#N)C2)COc2ccccc2C1 ZINC000529669911 333505040 /nfs/dbraw/zinc/50/50/40/333505040.db2.gz WWPFKFNGHYVEJN-LXZKKBNFSA-N 0 3 286.375 2.289 20 30 CEEDHN C=C(CC)CN1CCN(CC(=C)CC)[C@H](CCO)C1 ZINC000576169986 335164616 /nfs/dbraw/zinc/16/46/16/335164616.db2.gz YXMVBUMXVXRNDK-MRXNPFEDSA-N 0 3 266.429 2.287 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)C2CCOCC2)CC1 ZINC000131940324 333969109 /nfs/dbraw/zinc/96/91/09/333969109.db2.gz YRLWWVFWQFRVTP-AWEZNQCLSA-N 0 3 294.439 2.206 20 30 CEEDHN C=CCCN1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000132427960 333980176 /nfs/dbraw/zinc/98/01/76/333980176.db2.gz YGONONFUMDXOQD-UHFFFAOYSA-N 0 3 294.420 2.005 20 30 CEEDHN C=CCCN1CCCN(C(=O)OCC(C)C)CC1 ZINC000132720638 334003455 /nfs/dbraw/zinc/00/34/55/334003455.db2.gz JBPSBIVPFYYPEV-UHFFFAOYSA-N 0 3 254.374 2.363 20 30 CEEDHN CCN(CCC#N)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000133422318 334040586 /nfs/dbraw/zinc/04/05/86/334040586.db2.gz ZTWVHNORKDJVNM-XQQFMLRXSA-N 0 3 251.374 2.010 20 30 CEEDHN CC#CCNC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000135032540 334113250 /nfs/dbraw/zinc/11/32/50/334113250.db2.gz SGSWBFXYQXFUFJ-KRWDZBQOSA-N 0 3 299.418 2.146 20 30 CEEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN(CCOCCC#N)C1 ZINC000549866433 334207514 /nfs/dbraw/zinc/20/75/14/334207514.db2.gz VXVVYZFHBMLJPK-AWEZNQCLSA-N 0 3 296.411 2.360 20 30 CEEDHN C=C(C)CN1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000153872725 334681626 /nfs/dbraw/zinc/68/16/26/334681626.db2.gz DNZUVBFKBQQOJM-ZDUSSCGKSA-N 0 3 252.402 2.435 20 30 CEEDHN Cc1cccc(C)c1[C@@H](C)NC[C@H](O)CN(C)CCC#N ZINC000567710653 334754357 /nfs/dbraw/zinc/75/43/57/334754357.db2.gz PBQKJHIAODIJBZ-CVEARBPZSA-N 0 3 289.423 2.160 20 30 CEEDHN C=CCCCNCCS(=O)(=O)c1ccccc1 ZINC000577842296 335409667 /nfs/dbraw/zinc/40/96/67/335409667.db2.gz QEPRORIXGVQVPR-UHFFFAOYSA-N 0 3 253.367 2.016 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000578111538 335498064 /nfs/dbraw/zinc/49/80/64/335498064.db2.gz GJWOFLHXIRJGKB-HZSPNIEDSA-N 0 3 269.348 2.074 20 30 CEEDHN COCC[C@@]1(NCC#Cc2ccc(Cl)cc2)CCOC1 ZINC000578214521 335574296 /nfs/dbraw/zinc/57/42/96/335574296.db2.gz DIIDLCXXCKJTIZ-MRXNPFEDSA-N 0 3 293.794 2.477 20 30 CEEDHN C=C(C)CN1CCC(N[C@@H](C)c2nccn2C)CC1 ZINC000182870637 335848065 /nfs/dbraw/zinc/84/80/65/335848065.db2.gz LTOUPVFKDVKFHY-ZDUSSCGKSA-N 0 3 262.401 2.111 20 30 CEEDHN C=CCOCCNC1CC(C#N)(c2ccccc2)C1 ZINC000364851667 335904534 /nfs/dbraw/zinc/90/45/34/335904534.db2.gz FKRFCWLYRZGPNV-UHFFFAOYSA-N 0 3 256.349 2.403 20 30 CEEDHN N#CC1(NC(=O)[C@H]2CCN(Cc3ccccc3)C2)CCC1 ZINC000581198822 336023633 /nfs/dbraw/zinc/02/36/33/336023633.db2.gz ABHBAXBTKMKMJG-HNNXBMFYSA-N 0 3 283.375 2.071 20 30 CEEDHN C=CCN(CCCNC(C)=O)CCc1ccccc1 ZINC000195355672 336052345 /nfs/dbraw/zinc/05/23/45/336052345.db2.gz FQSVDBNFMLUXGY-UHFFFAOYSA-N 0 3 260.381 2.243 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000058874680 518761772 /nfs/dbraw/zinc/76/17/72/518761772.db2.gz LGSJEUUKDMKTSG-ZIAGYGMSSA-N 0 3 250.386 2.165 20 30 CEEDHN C[C@H]1[C@@H](Nc2cncc(C#N)n2)CCN1Cc1ccccc1 ZINC000401413513 534143793 /nfs/dbraw/zinc/14/37/93/534143793.db2.gz WNHGOFQFCPKBRE-BBRMVZONSA-N 0 3 293.374 2.423 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(OCC(F)F)cc1 ZINC000184272375 519105117 /nfs/dbraw/zinc/10/51/17/519105117.db2.gz PXQTWKQIDKECAS-LBPRGKRZSA-N 0 3 271.307 2.357 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)Cn2cc3ccccc3n2)CCN1C ZINC000330038205 534490555 /nfs/dbraw/zinc/49/05/55/534490555.db2.gz DUGVKSQIQQENHC-OCCSQVGLSA-N 0 3 286.379 2.476 20 30 CEEDHN Cc1cnc([C@H](C)NC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)o1 ZINC000329229909 534630215 /nfs/dbraw/zinc/63/02/15/534630215.db2.gz CZDOPXGRPIVZKD-ADEWGFFLSA-N 0 3 292.383 2.173 20 30 CEEDHN COC[C@H](NCc1ccc(C#N)cc1OC)C1CC1 ZINC000183427376 522747062 /nfs/dbraw/zinc/74/70/62/522747062.db2.gz VFWFTRWMZLJTNG-AWEZNQCLSA-N 0 3 260.337 2.081 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)CCN1C ZINC000157958418 525273484 /nfs/dbraw/zinc/27/34/84/525273484.db2.gz HDBOSFBFMYBFBD-MFKMUULPSA-N 0 3 274.324 2.361 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)C[C@@H]2C)CC1 ZINC000336449273 526430648 /nfs/dbraw/zinc/43/06/48/526430648.db2.gz VPDMKJOQKZTKRA-STQMWFEESA-N 0 3 265.401 2.077 20 30 CEEDHN C=CCNC(=O)C(C)S(=O)(=O)C(C)(C)c1ccccc1 ZINC000350184343 526627432 /nfs/dbraw/zinc/62/74/32/526627432.db2.gz NSGWZOZXLCIINI-GFCCVEGCSA-N 0 3 295.404 2.027 20 30 CEEDHN C=CCOCCCN1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000351980660 526750467 /nfs/dbraw/zinc/75/04/67/526750467.db2.gz DKUUPARJDNWJCB-UONOGXRCSA-N 0 3 253.386 2.469 20 30 CEEDHN C=CCOCCCN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352672616 526756899 /nfs/dbraw/zinc/75/68/99/526756899.db2.gz VFNXCFKAZVRAIQ-NEPJUHHUSA-N 0 3 281.318 2.072 20 30 CEEDHN C=CCCCCCN(C)C(=O)CCN1CCN(CC)CC1 ZINC000352606969 527122034 /nfs/dbraw/zinc/12/20/34/527122034.db2.gz NENSSNGQLHZQSF-UHFFFAOYSA-N 0 3 295.471 2.219 20 30 CEEDHN C=CCCCN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352669976 527198547 /nfs/dbraw/zinc/19/85/47/527198547.db2.gz CPTMDHWWDZKUBX-WDEREUQCSA-N 0 3 251.292 2.445 20 30 CEEDHN Cc1nccn1CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000049330213 527430883 /nfs/dbraw/zinc/43/08/83/527430883.db2.gz UKVYQSHUEWEKCZ-LBPRGKRZSA-N 0 3 254.337 2.414 20 30 CEEDHN C=CCC[C@H](NC[C@H](O)[C@@H]1CCOC1)c1ccco1 ZINC000353632179 527485552 /nfs/dbraw/zinc/48/55/52/527485552.db2.gz NUYCSDGWDKDEAK-RDBSUJKOSA-N 0 3 265.353 2.274 20 30 CEEDHN CC1(C)CCc2ccccc2[C@@H](NCC(=O)NCC#N)C1 ZINC000331397351 529054440 /nfs/dbraw/zinc/05/44/40/529054440.db2.gz GBXQPXYAIJPUOL-HNNXBMFYSA-N 0 3 285.391 2.320 20 30 CEEDHN CC(C)[C@H](NC(=O)C(C)C#N)c1nc(-c2ccncc2)no1 ZINC000347146163 529104461 /nfs/dbraw/zinc/10/44/61/529104461.db2.gz ZXGGSJKTAXKWJB-PWSUYJOCSA-N 0 3 299.334 2.105 20 30 CEEDHN CC[C@@H](O)[C@H](CC)NCc1ccc(C#N)c(F)c1 ZINC000403977994 529237782 /nfs/dbraw/zinc/23/77/82/529237782.db2.gz AFFNHUNLLNLAFG-UONOGXRCSA-N 0 3 250.317 2.336 20 30 CEEDHN C[C@H](CO)NN=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000749820427 574447715 /nfs/dbraw/zinc/44/77/15/574447715.db2.gz DEHPKSMEQXROPZ-RUOLSZCKSA-N 0 3 273.380 2.254 20 30 CEEDHN C#Cc1ccc(C(=O)Nc2cccc(CN(C)C)c2)nc1 ZINC000728811995 574470707 /nfs/dbraw/zinc/47/07/07/574470707.db2.gz UFHZDVYCSJHYQK-UHFFFAOYSA-N 0 3 279.343 2.377 20 30 CEEDHN C#CCCN1CCC(NC(=O)CSC(C)(C)C)CC1 ZINC000740737572 574478388 /nfs/dbraw/zinc/47/83/88/574478388.db2.gz RFJOTBDDFXDICF-UHFFFAOYSA-N 0 3 282.453 2.122 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C(\C)CCC)CC1 ZINC000729976686 574497522 /nfs/dbraw/zinc/49/75/22/574497522.db2.gz DFQPNJMNQCWBEA-OUKQBFOZSA-N 0 3 250.386 2.499 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)Cc2ccco2)CC1 ZINC000730115418 574502138 /nfs/dbraw/zinc/50/21/38/574502138.db2.gz JTUKVUVRNYCXRO-ZDUSSCGKSA-N 0 3 291.395 2.160 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CCSC1 ZINC000762068340 574522985 /nfs/dbraw/zinc/52/29/85/574522985.db2.gz JPCWZGJKFFTBJM-PWSUYJOCSA-N 0 3 274.345 2.087 20 30 CEEDHN C=CCCOCC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000731467333 574596375 /nfs/dbraw/zinc/59/63/75/574596375.db2.gz ZGEQTXSWOVFFMN-OAHLLOKOSA-N 0 3 288.391 2.099 20 30 CEEDHN C=C(C)CNC(=S)N(C)[C@@H]1CCN(CC)C[C@H]1C ZINC000741488694 574600596 /nfs/dbraw/zinc/60/05/96/574600596.db2.gz MDLJCBWHWWZMHP-CHWSQXEVSA-N 0 3 269.458 2.099 20 30 CEEDHN N#Cc1ccc(NCCNc2ccnc3ccccc32)nc1 ZINC000731921063 574606354 /nfs/dbraw/zinc/60/63/54/574606354.db2.gz ZXXGIARXHNPLJQ-UHFFFAOYSA-N 0 3 289.342 2.447 20 30 CEEDHN C#CCOCCN[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000753770992 575340779 /nfs/dbraw/zinc/34/07/79/575340779.db2.gz UEPLJMWMSNVSEU-CQSZACIVSA-N 0 3 277.364 2.394 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)C1=COCC1)C(C)C ZINC000734129320 574703215 /nfs/dbraw/zinc/70/32/15/574703215.db2.gz QANRFJQJUDKYAK-OAHLLOKOSA-N 0 3 278.396 2.105 20 30 CEEDHN C=CC[C@@H](C)NC(=O)NC[C@@H](C)N1CCCCC1 ZINC000735187229 574746816 /nfs/dbraw/zinc/74/68/16/574746816.db2.gz MMIPHNHDLUMFOT-CHWSQXEVSA-N 0 3 253.390 2.125 20 30 CEEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)n1cccc1 ZINC000735208174 574747921 /nfs/dbraw/zinc/74/79/21/574747921.db2.gz XCTJAGYOVGKHMD-CHWSQXEVSA-N 0 3 296.330 2.182 20 30 CEEDHN CCCCCCN(C)CC(=O)NC1(C#N)CCC1 ZINC000735654860 574763890 /nfs/dbraw/zinc/76/38/90/574763890.db2.gz TXSDIBWLSRVDGX-UHFFFAOYSA-N 0 3 251.374 2.061 20 30 CEEDHN C=C(Cl)CNC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000736399026 574786300 /nfs/dbraw/zinc/78/63/00/574786300.db2.gz MJLLNGDUOODWPX-CMPLNLGQSA-N 0 3 273.808 2.159 20 30 CEEDHN Cc1ccc(N2CCCN(C(=O)C(C)C#N)CC2)cc1 ZINC000736673105 574794409 /nfs/dbraw/zinc/79/44/09/574794409.db2.gz OQANIXSTCVXYSB-AWEZNQCLSA-N 0 3 271.364 2.193 20 30 CEEDHN C[C@H]1CC(N=Nc2ccc(Cl)nn2)CCN1C ZINC000741453829 574987491 /nfs/dbraw/zinc/98/74/91/574987491.db2.gz WMBTYZBPXZWLMZ-QMMMGPOBSA-N 0 3 253.737 2.012 20 30 CEEDHN COC(=O)C[C@@H](NC(=O)C(C)C#N)c1cccc(Cl)c1 ZINC000743820919 575110070 /nfs/dbraw/zinc/11/00/70/575110070.db2.gz JDWOWRYEVALIKC-BXKDBHETSA-N 0 3 294.738 2.220 20 30 CEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1Cc2ccccc21 ZINC000744038993 575112706 /nfs/dbraw/zinc/11/27/06/575112706.db2.gz GBQXAXXOKYSIRA-UONOGXRCSA-N 0 3 291.310 2.069 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(CCCCO)CC1 ZINC000746488762 575157351 /nfs/dbraw/zinc/15/73/51/575157351.db2.gz ZNAHUFZDBRNRQK-HNNXBMFYSA-N 0 3 287.407 2.009 20 30 CEEDHN C#CCNC(=O)CN1CC[C@@H](c2ccccc2)[C@H](CC)C1 ZINC000746674036 575162646 /nfs/dbraw/zinc/16/26/46/575162646.db2.gz MLRCWMZJDMQAJX-NVXWUHKLSA-N 0 3 284.403 2.252 20 30 CEEDHN C#CCCN1CCC(NC(=O)CCc2ccc(C)o2)CC1 ZINC000746692577 575162963 /nfs/dbraw/zinc/16/29/63/575162963.db2.gz VOXJKKAEOWKTPW-UHFFFAOYSA-N 0 3 288.391 2.125 20 30 CEEDHN C[C@H](CNC(=O)C#Cc1ccccc1)N1CCCC[C@H]1C ZINC000747358216 575169808 /nfs/dbraw/zinc/16/98/08/575169808.db2.gz BHADMMBGSLTPIK-HZPDHXFCSA-N 0 3 284.403 2.417 20 30 CEEDHN C#C[C@@H](CC)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000753141196 575320503 /nfs/dbraw/zinc/32/05/03/575320503.db2.gz VJNNLGODODNYJX-DLBZAZTESA-N 0 3 299.418 2.362 20 30 CEEDHN CCN(CCC#N)CC1CCC2(CC1)OCCO2 ZINC000753732604 575338010 /nfs/dbraw/zinc/33/80/10/575338010.db2.gz MYNNGRUFYNUVPO-UHFFFAOYSA-N 0 3 252.358 2.155 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC(CC)(C1CC1)C1CC1 ZINC000875622446 649926734 /nfs/dbraw/zinc/92/67/34/649926734.db2.gz IHDHQTMJVOMOJF-UHFFFAOYSA-N 0 3 291.439 2.210 20 30 CEEDHN C=CC[N@H+](Cc1cc(-c2nnn[n-]2)cs1)C(C)C ZINC000823909405 608561195 /nfs/dbraw/zinc/56/11/95/608561195.db2.gz BTMGDLFQUSTKMA-UHFFFAOYSA-N 0 3 263.370 2.325 20 30 CEEDHN C=CC[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)C(C)C ZINC000823909405 608561197 /nfs/dbraw/zinc/56/11/97/608561197.db2.gz BTMGDLFQUSTKMA-UHFFFAOYSA-N 0 3 263.370 2.325 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2c(C)cccc2Cl)C1 ZINC000969818057 612964096 /nfs/dbraw/zinc/96/40/96/612964096.db2.gz SUHDOYZECCXAPN-GFCCVEGCSA-N 0 3 276.767 2.086 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC000970073446 612960229 /nfs/dbraw/zinc/96/02/29/612960229.db2.gz QBZKIMZUDYOJBB-RBSFLKMASA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C2(C)CCCCCC2)C1 ZINC000968944993 612960240 /nfs/dbraw/zinc/96/02/40/612960240.db2.gz FLIQJOFOASIMEN-CQSZACIVSA-N 0 3 262.397 2.171 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)CCc2ccc(C)cc2C)C1 ZINC000969510400 612960576 /nfs/dbraw/zinc/96/05/76/612960576.db2.gz BOVKEIZBMLXHMV-QGZVFWFLSA-N 0 3 284.403 2.060 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](C)c2cc3ccccc3o2)C1 ZINC000970440361 612963454 /nfs/dbraw/zinc/96/34/54/612963454.db2.gz WLPVXIBTTXVGFP-UKRRQHHQSA-N 0 3 296.370 2.360 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(Cl)cc2C)C1 ZINC000969804090 612965848 /nfs/dbraw/zinc/96/58/48/612965848.db2.gz HRCLZNQPCPXPMI-CYBMUJFWSA-N 0 3 276.767 2.086 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000970862121 612995026 /nfs/dbraw/zinc/99/50/26/612995026.db2.gz UZEMPPZWKUUKCK-CQSZACIVSA-N 0 3 296.414 2.249 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cccc(C(C)C)n2)C1 ZINC000970069109 612995057 /nfs/dbraw/zinc/99/50/57/612995057.db2.gz XBJHVHWBUMKXMM-CQSZACIVSA-N 0 3 299.418 2.278 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccoc2Cl)C1 ZINC000969560600 612995362 /nfs/dbraw/zinc/99/53/62/612995362.db2.gz HTFYCSACPYGPNB-SNVBAGLBSA-N 0 3 280.755 2.006 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cccc3c2CCC3)C1 ZINC000970957487 612995604 /nfs/dbraw/zinc/99/56/04/612995604.db2.gz ISDJZRUBABLCRH-CQSZACIVSA-N 0 3 296.414 2.249 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC000970348328 612997402 /nfs/dbraw/zinc/99/74/02/612997402.db2.gz LVAYOGWGSPIIDS-ZDUSSCGKSA-N 0 3 295.386 2.241 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000970862120 612997497 /nfs/dbraw/zinc/99/74/97/612997497.db2.gz UZEMPPZWKUUKCK-AWEZNQCLSA-N 0 3 296.414 2.249 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC000983223144 613004845 /nfs/dbraw/zinc/00/48/45/613004845.db2.gz CYECPHLSBWKWAZ-IRXDYDNUSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC000981143213 613004951 /nfs/dbraw/zinc/00/49/51/613004951.db2.gz FRDSTJIZIJBWAX-LSDHHAIUSA-N 0 3 280.387 2.072 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cocc2C)C1 ZINC000967746584 613016299 /nfs/dbraw/zinc/01/62/99/613016299.db2.gz IODANBBWACMJRO-IUODEOHRSA-N 0 3 274.364 2.052 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC000967521709 613023920 /nfs/dbraw/zinc/02/39/20/613023920.db2.gz GSHBFEGLHYSHJZ-LSDHHAIUSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C2(C)CCC2)C1 ZINC000967748675 613024211 /nfs/dbraw/zinc/02/42/11/613024211.db2.gz ONTVZQVHAISPGA-UONOGXRCSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2c[nH]cc2C2CC2)C(C)(C)C1 ZINC000977401266 613032428 /nfs/dbraw/zinc/03/24/28/613032428.db2.gz PGKYPBHJVRTUOQ-MRXNPFEDSA-N 0 3 299.418 2.356 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc(C)sn2)CC1 ZINC000948329618 613163009 /nfs/dbraw/zinc/16/30/09/613163009.db2.gz GWMMNMMSWYTJAM-CYBMUJFWSA-N 0 3 291.420 2.011 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc(Cl)[nH]2)CC1 ZINC000948752681 613163251 /nfs/dbraw/zinc/16/32/51/613163251.db2.gz AAVNZIUIWHEUJV-GFCCVEGCSA-N 0 3 293.798 2.228 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ncc(C)cc2C)CC1 ZINC000948638493 613164154 /nfs/dbraw/zinc/16/41/54/613164154.db2.gz BSMHGLQZXDRRKD-MRXNPFEDSA-N 0 3 299.418 2.258 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2oc(C)cc2C)CC1 ZINC000948274197 613180147 /nfs/dbraw/zinc/18/01/47/613180147.db2.gz QNINDIJSRZIYJW-HNNXBMFYSA-N 0 3 288.391 2.456 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CC)CC[C@H]2C)cc1 ZINC000967700922 613186737 /nfs/dbraw/zinc/18/67/37/613186737.db2.gz LLIMXTOQHTZFEH-CZUORRHYSA-N 0 3 270.376 2.128 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(CC#CC)[C@H](C)C2)cc1 ZINC000947611108 613189758 /nfs/dbraw/zinc/18/97/58/613189758.db2.gz GXLAXLAAFRAWQH-QAPCUYQASA-N 0 3 294.398 2.274 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C(C)=C2CCC2)C[C@@H]1C ZINC000947299918 613222028 /nfs/dbraw/zinc/22/20/28/613222028.db2.gz DOGKRUHTCADJOK-SWLSCSKDSA-N 0 3 260.381 2.089 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)CC2CC(C)(C)C2)C[C@@H]1C ZINC000947649371 613225053 /nfs/dbraw/zinc/22/50/53/613225053.db2.gz OWAOJLBBFJIDQR-DZGCQCFKSA-N 0 3 276.424 2.415 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(CC)cc2)[C@H](C)C1 ZINC000943210841 613226443 /nfs/dbraw/zinc/22/64/43/613226443.db2.gz WMXPYQBGMJBAQZ-CRAIPNDOSA-N 0 3 298.430 2.251 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3ccccn3c2)C[C@H]1C ZINC000947770716 613233449 /nfs/dbraw/zinc/23/34/49/613233449.db2.gz BPQOQGNPLAPGEJ-GDBMZVCRSA-N 0 3 295.386 2.155 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(F)ccc2C)C[C@@H]1C ZINC000947579980 613233457 /nfs/dbraw/zinc/23/34/57/613233457.db2.gz HOHOYGMTRSNEIU-DZGCQCFKSA-N 0 3 288.366 2.350 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3n(c2)CCCC3)C[C@H]1C ZINC000948109041 613234541 /nfs/dbraw/zinc/23/45/41/613234541.db2.gz RRRHDALXZLHPFL-GDBMZVCRSA-N 0 3 299.418 2.040 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C)c2)C[C@H]1C ZINC000947020820 613237162 /nfs/dbraw/zinc/23/71/62/613237162.db2.gz GJGGFMDNHQONIA-GDBMZVCRSA-N 0 3 270.376 2.211 20 30 CEEDHN C=C(C)CCN1CCCN(C(=O)c2oc(C)nc2C)CC1 ZINC000980897297 613255768 /nfs/dbraw/zinc/25/57/68/613255768.db2.gz ZRXZEVLKALYURS-UHFFFAOYSA-N 0 3 291.395 2.406 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C(F)=C2CCCC2)C[C@H]1C ZINC000947194478 613256620 /nfs/dbraw/zinc/25/66/20/613256620.db2.gz CIGZFFMUHSGYIY-OCCSQVGLSA-N 0 3 278.371 2.386 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@@H](C)C1 ZINC000942520215 613257724 /nfs/dbraw/zinc/25/77/24/613257724.db2.gz BOXGVEQOBDVHAT-HOCLYGCPSA-N 0 3 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2.120 20 30 CEEDHN Cn1ccc(CN2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 ZINC000896654147 630626557 /nfs/dbraw/zinc/62/65/57/630626557.db2.gz KIBRBCLMJXHUIW-MRXNPFEDSA-N 0 3 295.390 2.368 20 30 CEEDHN C#CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC000928624850 630645451 /nfs/dbraw/zinc/64/54/51/630645451.db2.gz IXCLIUYBDRCKND-HNNXBMFYSA-N 0 3 268.376 2.069 20 30 CEEDHN C=C(Br)COC(=O)C1CCN(C2CC2)CC1 ZINC000801874859 631346751 /nfs/dbraw/zinc/34/67/51/631346751.db2.gz KZLBPKHMDXIMNI-UHFFFAOYSA-N 0 3 288.185 2.313 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCC2CCCC2)C1 ZINC000987898112 631472186 /nfs/dbraw/zinc/47/21/86/631472186.db2.gz OWGKNZSROJLTTQ-UKRRQHHQSA-N 0 3 262.397 2.169 20 30 CEEDHN C=CCN1CCN(CN2CCCCC[C@H]2C)C1=O ZINC000840006159 631585138 /nfs/dbraw/zinc/58/51/38/631585138.db2.gz WLYIDIDZAJPFJY-CYBMUJFWSA-N 0 3 251.374 2.132 20 30 CEEDHN N#Cc1cccc(CNC[C@H]2CC[C@@H](C3CC3)O2)n1 ZINC000897504865 631591735 /nfs/dbraw/zinc/59/17/35/631591735.db2.gz GAQVBEHLWNXTHD-CABCVRRESA-N 0 3 257.337 2.000 20 30 CEEDHN C=CCN1CCN(CN(CC)C[C@H](C)CC)C1=O ZINC000840027093 631640020 /nfs/dbraw/zinc/64/00/20/631640020.db2.gz VAARMMTZVZSSTC-CYBMUJFWSA-N 0 3 253.390 2.236 20 30 CEEDHN C[C@@H]1C[C@H](NCc2ccsc2)CN1C(=O)C#CC1CC1 ZINC000988812653 631699215 /nfs/dbraw/zinc/69/92/15/631699215.db2.gz NKHKLBGWNGXXGI-DOMZBBRYSA-N 0 3 288.416 2.241 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2sc(C)cc2C)C1 ZINC000988899046 631707287 /nfs/dbraw/zinc/70/72/87/631707287.db2.gz NNZUNFHQKBAZKM-AAEUAGOBSA-N 0 3 276.405 2.191 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc(C(C)C)n2)C1 ZINC000989120081 631730207 /nfs/dbraw/zinc/73/02/07/631730207.db2.gz NITJOILOHLUGKC-UONOGXRCSA-N 0 3 285.391 2.031 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2c(C)oc(C)c2C)C1 ZINC000989142662 631734625 /nfs/dbraw/zinc/73/46/25/631734625.db2.gz IZPRDVPEQMBRHW-YGRLFVJLSA-N 0 3 274.364 2.031 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC000989258579 631761821 /nfs/dbraw/zinc/76/18/21/631761821.db2.gz IEFYZVDSRCXWEY-DZGCQCFKSA-N 0 3 295.386 2.302 20 30 CEEDHN C=C1CCC(C(=O)N2C[C@@H](NCCF)C[C@H]2C)CC1 ZINC000989409119 631818990 /nfs/dbraw/zinc/81/89/90/631818990.db2.gz WXCONCIOTTZQPK-OCCSQVGLSA-N 0 3 268.376 2.281 20 30 CEEDHN CCO[C@@H]1CCC[C@H](NCc2nc(C#N)cs2)C1 ZINC000897627135 631836614 /nfs/dbraw/zinc/83/66/14/631836614.db2.gz ZVUWOBBHOMPCQP-CMPLNLGQSA-N 0 3 265.382 2.452 20 30 CEEDHN C=CCCCCCCNC(=O)N(C)CCN(C)C ZINC000807572222 631849891 /nfs/dbraw/zinc/84/98/91/631849891.db2.gz DXGWOHGUDRLPGG-UHFFFAOYSA-N 0 3 255.406 2.326 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000925319366 631883399 /nfs/dbraw/zinc/88/33/99/631883399.db2.gz RSZCJWDJVNGDDN-HOCLYGCPSA-N 0 3 287.407 2.477 20 30 CEEDHN Cc1cc([N+](=O)[O-])ccc1N=NC1CN(C)C[C@@H]1C ZINC000807988511 631899063 /nfs/dbraw/zinc/89/90/63/631899063.db2.gz FDKHIXZPAPAAKE-JTQLQIEISA-N 0 3 262.313 2.253 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3occc3s2)C1 ZINC000989443031 631931273 /nfs/dbraw/zinc/93/12/73/631931273.db2.gz MXMIAZTYZWTAOZ-MNOVXSKESA-N 0 3 288.372 2.320 20 30 CEEDHN C#Cc1ccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1 ZINC000897864167 631950165 /nfs/dbraw/zinc/95/01/65/631950165.db2.gz LXZSNSBBLHVUMW-AWEZNQCLSA-N 0 3 282.387 2.224 20 30 CEEDHN C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC000898150869 632071447 /nfs/dbraw/zinc/07/14/47/632071447.db2.gz FJXWHAJIDALCID-MCIONIFRSA-N 0 3 288.395 2.095 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H](C)C2CCCC2)CC1 ZINC000989456846 632096224 /nfs/dbraw/zinc/09/62/24/632096224.db2.gz GEYYXSPLUJPJQI-HNNXBMFYSA-N 0 3 276.424 2.370 20 30 CEEDHN N#CC[C@@H](O)CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000809576638 632104015 /nfs/dbraw/zinc/10/40/15/632104015.db2.gz XTTFTDFMBIZEGX-CYBMUJFWSA-N 0 3 284.363 2.017 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C=C)cc2)C1 ZINC000989473839 632182116 /nfs/dbraw/zinc/18/21/16/632182116.db2.gz PUHLKRMSZGJYKL-XJKSGUPXSA-N 0 3 268.360 2.155 20 30 CEEDHN C=C(C)CN1CCCN(C(=O)C[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000989557368 632204842 /nfs/dbraw/zinc/20/48/42/632204842.db2.gz JLLJBDHHINWKDK-CVEARBPZSA-N 0 3 294.439 2.302 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2csc(C(C)C)n2)C1 ZINC000989562008 632205532 /nfs/dbraw/zinc/20/55/32/632205532.db2.gz LZWFCVUAJNKCCX-VXGBXAGGSA-N 0 3 291.420 2.092 20 30 CEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)C(C#N)c2ccccn2)C1 ZINC000810526759 632222349 /nfs/dbraw/zinc/22/23/49/632222349.db2.gz CXZVNFYRMKETAX-LRDDRELGSA-N 0 3 289.354 2.470 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000989698165 632226286 /nfs/dbraw/zinc/22/62/86/632226286.db2.gz VGPOFYCJIXMMER-AJNGGQMLSA-N 0 3 262.397 2.025 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000989740549 632235877 /nfs/dbraw/zinc/23/58/77/632235877.db2.gz ZMPUJXXOSZCUMU-WFASDCNBSA-N 0 3 290.794 2.095 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(C)c(CC)s2)C1 ZINC000989766568 632237469 /nfs/dbraw/zinc/23/74/69/632237469.db2.gz RCTGOEHBOHJCPP-OLZOCXBDSA-N 0 3 290.432 2.445 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc3cnccc32)C1 ZINC000989796106 632244535 /nfs/dbraw/zinc/24/45/35/632244535.db2.gz HMFBXLYVGLAHJR-DZGCQCFKSA-N 0 3 293.370 2.061 20 30 CEEDHN CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@](C)(C#N)C2)C1 ZINC000810673062 632255199 /nfs/dbraw/zinc/25/51/99/632255199.db2.gz SWEXNMLMQJOGLQ-HZPDHXFCSA-N 0 3 295.402 2.351 20 30 CEEDHN C=C(C)CN1CC[C@]2(NC(=O)C(C)(F)F)CCC[C@H]12 ZINC000989906379 632276563 /nfs/dbraw/zinc/27/65/63/632276563.db2.gz PUYWIPHXZUMJKX-SMDDNHRTSA-N 0 3 272.339 2.331 20 30 CEEDHN C#CCCN1CC[C@@]2(NC(=O)c3cccs3)CCC[C@H]12 ZINC000989926177 632282308 /nfs/dbraw/zinc/28/23/08/632282308.db2.gz WWARDEYRQLPCQE-HOCLYGCPSA-N 0 3 288.416 2.498 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(F)nc3)CCC[C@@H]12 ZINC000990044322 632307345 /nfs/dbraw/zinc/30/73/45/632307345.db2.gz WOVUSHXEQDRPRN-CZUORRHYSA-N 0 3 289.354 2.134 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](C)C3CC3)CCC[C@@H]12 ZINC000990150864 632320504 /nfs/dbraw/zinc/32/05/04/632320504.db2.gz RUGOPNHJKHZKOC-FRFSOERESA-N 0 3 274.408 2.169 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)C3CC(C)C3)CCC[C@@H]12 ZINC000990194812 632325718 /nfs/dbraw/zinc/32/57/18/632325718.db2.gz VUQKNUYMTYSSJM-OCUYMYNFSA-N 0 3 274.408 2.169 20 30 CEEDHN C=C(C)CNN=C(C)c1cccc(N2CCOCC2)c1 ZINC000811652596 632414218 /nfs/dbraw/zinc/41/42/18/632414218.db2.gz QVNJWVWUEMTTRY-UHFFFAOYSA-N 0 3 273.380 2.413 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)CCC[C@H]12 ZINC000990786213 632861721 /nfs/dbraw/zinc/86/17/21/632861721.db2.gz BFDNEAWDMAQARX-BCDMZGRMSA-N 0 3 298.430 2.335 20 30 CEEDHN C=CCC1(O)CCN(C(=O)CN(C)CCCCCC)CC1 ZINC000899589452 632910637 /nfs/dbraw/zinc/91/06/37/632910637.db2.gz VODHOEMYOCKHDS-UHFFFAOYSA-N 0 3 296.455 2.428 20 30 CEEDHN COCCCNN=C1CCCCc2ccc(N)cc21 ZINC000817328079 633628448 /nfs/dbraw/zinc/62/84/48/633628448.db2.gz WGNAVHQNQPZOCQ-UHFFFAOYSA-N 0 3 261.369 2.325 20 30 CEEDHN N#CC1(NC(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000900723496 633821504 /nfs/dbraw/zinc/82/15/04/633821504.db2.gz RQEYVSPNAUQWIQ-UHFFFAOYSA-N 0 3 268.320 2.077 20 30 CEEDHN C[C@H](N[C@H]1CNCCC1(F)F)c1ccc(OCC#N)cc1 ZINC000817981279 633825057 /nfs/dbraw/zinc/82/50/57/633825057.db2.gz QUJZPZNLFIVMHW-FZMZJTMJSA-N 0 3 295.333 2.237 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)C[C@H]2CCCCO2)C1 ZINC001007074748 633872409 /nfs/dbraw/zinc/87/24/09/633872409.db2.gz XXNMKDABIBGVNJ-HUUCEWRRSA-N 0 3 280.412 2.102 20 30 CEEDHN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)[C@H](N)CCCC#N ZINC000818123603 633872731 /nfs/dbraw/zinc/87/27/31/633872731.db2.gz GFPNBVMIYJYMSB-QWHCGFSZSA-N 0 3 287.363 2.130 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C(C)=C/c1ccc(C)cc1 ZINC000818603171 633956466 /nfs/dbraw/zinc/95/64/66/633956466.db2.gz RTCRXUUYTOSBSQ-JQIJEIRASA-N 0 3 284.403 2.470 20 30 CEEDHN Cc1cc(C)c(N=NC2CCN(CCO)CC2)c(C)c1 ZINC000819807518 634268185 /nfs/dbraw/zinc/26/81/85/634268185.db2.gz BYXRCUNKFQTVNT-UHFFFAOYSA-N 0 3 275.396 2.468 20 30 CEEDHN C[C@H]1CCCN1CCNc1c(C#N)cccc1[N+](=O)[O-] ZINC000819920331 634282834 /nfs/dbraw/zinc/28/28/34/634282834.db2.gz YKGUNWFUAJOWOJ-NSHDSACASA-N 0 3 274.324 2.363 20 30 CEEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccc1)n1cccn1 ZINC000819945859 634294050 /nfs/dbraw/zinc/29/40/50/634294050.db2.gz XCBLQGSOFNUWEV-GXTWGEPZSA-N 0 3 296.330 2.182 20 30 CEEDHN C[C@H](NC[C@@H](O)CC(C)(C)C)c1cc(C#N)ccn1 ZINC000902808454 634831910 /nfs/dbraw/zinc/83/19/10/634831910.db2.gz ISUOOYDBYNZQID-AAEUAGOBSA-N 0 3 261.369 2.401 20 30 CEEDHN Cc1noc(C)c1CCN[C@H](C)c1cc(C#N)ccn1 ZINC000902796693 634838289 /nfs/dbraw/zinc/83/82/89/634838289.db2.gz TYMABIOQNKSIEE-LLVKDONJSA-N 0 3 270.336 2.451 20 30 CEEDHN C[C@H](N[C@@H](CO)CC1CCC1)c1cc(C#N)ccn1 ZINC000902976865 634916428 /nfs/dbraw/zinc/91/64/28/634916428.db2.gz VTFBRUHZZUXDRP-SMDDNHRTSA-N 0 3 259.353 2.155 20 30 CEEDHN C[C@@H](NCC(C)(C)C(C)(C)O)c1cc(C#N)ccn1 ZINC000903014404 634939172 /nfs/dbraw/zinc/93/91/72/634939172.db2.gz RUDDSBKYFCVPDQ-LLVKDONJSA-N 0 3 261.369 2.401 20 30 CEEDHN N#CC1(CNC2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000903105394 634972701 /nfs/dbraw/zinc/97/27/01/634972701.db2.gz CACFWBBXRDTESG-UHFFFAOYSA-N 0 3 262.275 2.116 20 30 CEEDHN CN(C)c1ccnc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000903199442 635009359 /nfs/dbraw/zinc/00/93/59/635009359.db2.gz XMAIZSYRTORJLC-QWHCGFSZSA-N 0 3 258.369 2.320 20 30 CEEDHN C#CCCCC[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823841022 635288799 /nfs/dbraw/zinc/28/87/99/635288799.db2.gz HVGVTIZAKBNBJX-GFCCVEGCSA-N 0 3 269.352 2.321 20 30 CEEDHN C#CCCCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823841022 635288802 /nfs/dbraw/zinc/28/88/02/635288802.db2.gz HVGVTIZAKBNBJX-GFCCVEGCSA-N 0 3 269.352 2.321 20 30 CEEDHN C#CC[C@H]1CCCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000824021525 635324256 /nfs/dbraw/zinc/32/42/56/635324256.db2.gz NKNSRTCGUCFSQR-GOEBONIOSA-N 0 3 274.408 2.265 20 30 CEEDHN C=C[C@@H](CC)CC(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000824895498 635520738 /nfs/dbraw/zinc/52/07/38/635520738.db2.gz YCLCLRJLHMGQMO-WFASDCNBSA-N 0 3 250.386 2.189 20 30 CEEDHN CN(CCc1cccc(C#N)c1)C(=O)[C@@H]1CCCCN1C ZINC000825028763 635542923 /nfs/dbraw/zinc/54/29/23/635542923.db2.gz QHTAQWMLBBKCFN-INIZCTEOSA-N 0 3 285.391 2.043 20 30 CEEDHN C#Cc1ccc(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000825123845 635572876 /nfs/dbraw/zinc/57/28/76/635572876.db2.gz DFRAPTXDAMVFLM-KGLIPLIRSA-N 0 3 283.293 2.413 20 30 CEEDHN N#CC1(c2ccc(CN3CC[C@](O)(C(F)F)C3)cc2)CC1 ZINC000826052761 635753010 /nfs/dbraw/zinc/75/30/10/635753010.db2.gz FJDDRPIPNHTDPP-MRXNPFEDSA-N 0 3 292.329 2.444 20 30 CEEDHN Oc1cccc(/C=N\[C@@H]2CCCN3CCSC[C@@H]23)c1O ZINC000905003037 635774077 /nfs/dbraw/zinc/77/40/77/635774077.db2.gz OFZWEXRNGHGMGG-WYWOSOOYSA-N 0 3 292.404 2.097 20 30 CEEDHN CC[C@](O)(CNCc1cccc(C#N)c1)C(F)(F)F ZINC000905039104 635782563 /nfs/dbraw/zinc/78/25/63/635782563.db2.gz RKHLYQCEGPWGNU-LBPRGKRZSA-N 0 3 272.270 2.351 20 30 CEEDHN COCCOc1ccccc1/C=C1\C(=O)c2ncnn2C1C ZINC000905081209 635797655 /nfs/dbraw/zinc/79/76/55/635797655.db2.gz PVYGKKKHIHWKAO-NASPGAHYSA-N 0 3 299.330 2.144 20 30 CEEDHN COc1cc(C)c(/C=C2\C(=O)c3ncnn3C2C)c(C)n1 ZINC000905084603 635798977 /nfs/dbraw/zinc/79/89/77/635798977.db2.gz JGDWUNLJIXSWRR-GWHHBTOMSA-N 0 3 284.319 2.139 20 30 CEEDHN COc1cccc(OC)c1/C=C1\C(=O)c2ncnn2C1C ZINC000905085850 635800062 /nfs/dbraw/zinc/80/00/62/635800062.db2.gz PNIIUYUKZCCYNQ-CBFJXKFUSA-N 0 3 285.303 2.136 20 30 CEEDHN COc1cccc(OC)c1/C=C1/C(=O)c2ncnn2C1C ZINC000905085854 635800319 /nfs/dbraw/zinc/80/03/19/635800319.db2.gz PNIIUYUKZCCYNQ-HZAKCSEPSA-N 0 3 285.303 2.136 20 30 CEEDHN C#Cc1cccc(CNC[C@@](O)(CC)C(F)(F)F)c1 ZINC000905281263 636207072 /nfs/dbraw/zinc/20/70/72/636207072.db2.gz RTDCPVOAQKGRHC-ZDUSSCGKSA-N 0 3 271.282 2.461 20 30 CEEDHN C#C[C@@H](NCc1c(C)nn(CC)c1C)C1CCOCC1 ZINC000827570888 636356895 /nfs/dbraw/zinc/35/68/95/636356895.db2.gz TXQLETBMNFUWJW-MRXNPFEDSA-N 0 3 275.396 2.038 20 30 CEEDHN C#CCOc1ccccc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC000827596391 636363604 /nfs/dbraw/zinc/36/36/04/636363604.db2.gz WXDRCBLGVRZDQX-CVEARBPZSA-N 0 3 271.360 2.167 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CNCc1cnn(CC2CCC2)c1 ZINC000905642022 636378831 /nfs/dbraw/zinc/37/88/31/636378831.db2.gz VXXNFWYBNREBBG-HNNXBMFYSA-N 0 3 290.411 2.074 20 30 CEEDHN C#CCCN(CCOC)Cc1ccc2c(c1)CCO2 ZINC000827823947 636434421 /nfs/dbraw/zinc/43/44/21/636434421.db2.gz XXZBXJJGIOVHPV-UHFFFAOYSA-N 0 3 259.349 2.093 20 30 CEEDHN C[C@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)C(C)(C)C ZINC000905817763 636486300 /nfs/dbraw/zinc/48/63/00/636486300.db2.gz SWRZWBMKOUYUJG-RISCZKNCSA-N 0 3 273.380 2.356 20 30 CEEDHN N#Cc1ccc([C@H](NC[C@@]23C[C@@H]2CCCC3)C(N)=O)cc1 ZINC000905846332 636504954 /nfs/dbraw/zinc/50/49/54/636504954.db2.gz MPUNSXYFJZZRNI-YQQAZPJKSA-N 0 3 283.375 2.255 20 30 CEEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@H]2C)c(OC)c1 ZINC000905975226 636544948 /nfs/dbraw/zinc/54/49/48/636544948.db2.gz PWCWPJQOTPODOG-HIFRSBDPSA-N 0 3 291.391 2.258 20 30 CEEDHN C#CC[C@H]1CCCN([C@H](CCC)C(=O)OCC)C1 ZINC000829784476 636929179 /nfs/dbraw/zinc/92/91/79/636929179.db2.gz KOYHFSNXVFCBHY-UONOGXRCSA-N 0 3 251.370 2.454 20 30 CEEDHN CC(C)N(CCCOc1ccc(C#N)cc1)C1COC1 ZINC000830217960 637010272 /nfs/dbraw/zinc/01/02/72/637010272.db2.gz UNGLOXNWTZYRIF-UHFFFAOYSA-N 0 3 274.364 2.436 20 30 CEEDHN C#C[C@H](C)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000907490389 637034313 /nfs/dbraw/zinc/03/43/13/637034313.db2.gz COLNSRLEUGUQNY-NSHDSACASA-N 0 3 255.321 2.042 20 30 CEEDHN C#CCNC(=O)CN1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000830434636 637070202 /nfs/dbraw/zinc/07/02/02/637070202.db2.gz MMGKNWZDUVNOPA-YCPHGPKFSA-N 0 3 270.376 2.002 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N(C)C(C)=O)cc1 ZINC000876551763 650322035 /nfs/dbraw/zinc/32/20/35/650322035.db2.gz VZKOLOCZCWWTLF-CYBMUJFWSA-N 0 3 295.770 2.078 20 30 CEEDHN N#Cc1ccc(OCCCN2CC[C@@](O)(C(F)F)C2)cc1 ZINC000831169618 637245085 /nfs/dbraw/zinc/24/50/85/637245085.db2.gz CRPSXKPVHLCHOM-HNNXBMFYSA-N 0 3 296.317 2.029 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(Cl)c1 ZINC000876547186 650318202 /nfs/dbraw/zinc/31/82/02/650318202.db2.gz KEITUMNEQNPREY-LLVKDONJSA-N 0 3 273.163 2.426 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccccc1C ZINC000876560641 650328536 /nfs/dbraw/zinc/32/85/36/650328536.db2.gz JKKOYDYZFYSQNA-CYBMUJFWSA-N 0 3 266.772 2.124 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(OCC)c1 ZINC000876579534 650343610 /nfs/dbraw/zinc/34/36/10/650343610.db2.gz UPLBPNBQDZAOHK-GFCCVEGCSA-N 0 3 268.744 2.494 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(OCC)cc1 ZINC000876584214 650345092 /nfs/dbraw/zinc/34/50/92/650345092.db2.gz DSWZMBSDPLRBCY-CYBMUJFWSA-N 0 3 282.771 2.171 20 30 CEEDHN C#CCCCCC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000832949649 637703389 /nfs/dbraw/zinc/70/33/89/637703389.db2.gz MDCFVEPAFCHFCS-CQSZACIVSA-N 0 3 262.397 2.123 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000876631455 650367725 /nfs/dbraw/zinc/36/77/25/650367725.db2.gz CBOXHNCNNOCMAS-CHWSQXEVSA-N 0 3 294.782 2.405 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C)(CC)CC1 ZINC000876638153 650369844 /nfs/dbraw/zinc/36/98/44/650369844.db2.gz DHWIZLMYJDEVNM-LLVKDONJSA-N 0 3 258.793 2.495 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)OC)c(C)c1 ZINC000876648372 650374868 /nfs/dbraw/zinc/37/48/68/650374868.db2.gz ZKUNOQJIGNBPLX-LBPRGKRZSA-N 0 3 296.754 2.190 20 30 CEEDHN C#CCCCCN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000834680604 637917613 /nfs/dbraw/zinc/91/76/13/637917613.db2.gz BXPSMLWXTBEYGM-HNNXBMFYSA-N 0 3 272.327 2.426 20 30 CEEDHN CN(C)c1ccc(/C=C/C=NN2CCOCC2)cc1 ZINC000834918227 637988028 /nfs/dbraw/zinc/98/80/28/637988028.db2.gz UMAPCVSSJMYAGC-IZHGCUBQSA-N 0 3 259.353 2.084 20 30 CEEDHN C[C@H]1CN=C(NN=C2CC[C@H](C)c3ccsc32)N1 ZINC000834970395 638004106 /nfs/dbraw/zinc/00/41/06/638004106.db2.gz MOQPBRIUPICPSE-IUCAKERBSA-N 0 3 262.382 2.287 20 30 CEEDHN CC1(C)C[C@H](NN=C2CCc3cc(N)ccc32)CCO1 ZINC000834972194 638005036 /nfs/dbraw/zinc/00/50/36/638005036.db2.gz JPRQPPQKOKCQCS-CYBMUJFWSA-N 0 3 273.380 2.466 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000876668890 650391051 /nfs/dbraw/zinc/39/10/51/650391051.db2.gz UTPPXLWAAPPLIY-LLHIFLOGSA-N 0 3 258.793 2.397 20 30 CEEDHN CN(C)Cc1cccc(C(=O)OC2(C#N)CCC2)c1 ZINC000835212201 638111927 /nfs/dbraw/zinc/11/19/27/638111927.db2.gz MCSHMBFCOQQYFK-UHFFFAOYSA-N 0 3 258.321 2.351 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1c(C)cccc1F ZINC000876679208 650395912 /nfs/dbraw/zinc/39/59/12/650395912.db2.gz WZPPQOPPFIPNDF-GFCCVEGCSA-N 0 3 270.735 2.220 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)c1c(C)nn(C)c1C ZINC000876690180 650401796 /nfs/dbraw/zinc/40/17/96/650401796.db2.gz GTMFEAFUKLSQLZ-NWDGAFQWSA-N 0 3 298.818 2.074 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1N(C)CC ZINC000876754500 650421046 /nfs/dbraw/zinc/42/10/46/650421046.db2.gz FEHCFLNUIVJCOP-CYBMUJFWSA-N 0 3 295.814 2.229 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000911884131 638454177 /nfs/dbraw/zinc/45/41/77/638454177.db2.gz ZQUWZTUVZCCQMO-GFCCVEGCSA-N 0 3 276.336 2.080 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccnn1C(C)C ZINC000912028511 638518293 /nfs/dbraw/zinc/51/82/93/638518293.db2.gz CVTBEZWREOSONW-NSHDSACASA-N 0 3 250.346 2.086 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000912050205 638535756 /nfs/dbraw/zinc/53/57/56/638535756.db2.gz QRQZUXNFDLHJFW-DGCLKSJQSA-N 0 3 276.384 2.476 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCCOc1cccc(C)c1 ZINC000912077502 638550270 /nfs/dbraw/zinc/55/02/70/638550270.db2.gz DRKDMIBOXCFYJL-OAHLLOKOSA-N 0 3 276.380 2.174 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1cc(F)ccc1F ZINC000912285637 638631674 /nfs/dbraw/zinc/63/16/74/638631674.db2.gz VWFGEMACEIPSNJ-ZDUSSCGKSA-N 0 3 268.307 2.265 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCc1cccc(OC)c1 ZINC000912299763 638636965 /nfs/dbraw/zinc/63/69/65/638636965.db2.gz QSHNJUHZLVMWEN-HNNXBMFYSA-N 0 3 276.380 2.038 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H](O)c1ccccc1Cl ZINC000912369933 638670441 /nfs/dbraw/zinc/67/04/41/638670441.db2.gz TVRPYAKJXDWBBW-UONOGXRCSA-N 0 3 296.798 2.173 20 30 CEEDHN C=CC(C)(C)CCCNC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000923966510 639043018 /nfs/dbraw/zinc/04/30/18/639043018.db2.gz ZSEXAXZSZCRCJY-QWHCGFSZSA-N 0 3 267.417 2.371 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)c1cccnc1 ZINC000876876814 650468840 /nfs/dbraw/zinc/46/88/40/650468840.db2.gz VHFAYXAQISMKQZ-PWSUYJOCSA-N 0 3 267.760 2.071 20 30 CEEDHN C=CCC(F)(F)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000837190350 639106528 /nfs/dbraw/zinc/10/65/28/639106528.db2.gz LDTWLQSWCOFRQS-LLVKDONJSA-N 0 3 260.328 2.139 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2cccc(F)c2C1 ZINC000876882281 650471237 /nfs/dbraw/zinc/47/12/37/650471237.db2.gz FAQWAYDYJXPZHK-ZDUSSCGKSA-N 0 3 282.746 2.180 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000876905438 650480616 /nfs/dbraw/zinc/48/06/16/650480616.db2.gz HMWMWKRSMJLLCM-VHRBIJSZSA-N 0 3 270.804 2.495 20 30 CEEDHN C#CC[C@H](COC)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000913348312 639255384 /nfs/dbraw/zinc/25/53/84/639255384.db2.gz LBTOVRBGLOHGOY-OAHLLOKOSA-N 0 3 299.374 2.059 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCc2ccccc21 ZINC000876967048 650511281 /nfs/dbraw/zinc/51/12/81/650511281.db2.gz BWXHODAWVGFFAO-CHWSQXEVSA-N 0 3 264.756 2.260 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(c2ccco2)CC1 ZINC000876959037 650506092 /nfs/dbraw/zinc/50/60/92/650506092.db2.gz OHKVSKUFNLOIPW-LBPRGKRZSA-N 0 3 282.771 2.456 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)CCOC2 ZINC000876970591 650511754 /nfs/dbraw/zinc/51/17/54/650511754.db2.gz VOUDZDIGDYKJBZ-ZDUSSCGKSA-N 0 3 280.755 2.168 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(F)c[nH]3)CCC[C@@H]12 ZINC000991911106 639765081 /nfs/dbraw/zinc/76/50/81/639765081.db2.gz SWLIKRBKSZLBQE-HIFRSBDPSA-N 0 3 277.343 2.067 20 30 CEEDHN CCCCCCC[C@@H](C)CNC(=O)NC[C@H]1CNCCO1 ZINC000841723036 639850698 /nfs/dbraw/zinc/85/06/98/639850698.db2.gz HHUDBPJSYVLTLS-HUUCEWRRSA-N 0 3 299.459 2.271 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cncc(OCCC)c1 ZINC000877026515 650536562 /nfs/dbraw/zinc/53/65/62/650536562.db2.gz DGJDIFJDVYPVJF-GFCCVEGCSA-N 0 3 283.759 2.279 20 30 CEEDHN CN(CCOCC1CCC1)C[C@H](O)c1cccc(C#N)c1 ZINC000842154992 639967784 /nfs/dbraw/zinc/96/77/84/639967784.db2.gz ZWPWCQXQPHAUGE-KRWDZBQOSA-N 0 3 288.391 2.340 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2noc3ccccc32)C1 ZINC001015167706 640037037 /nfs/dbraw/zinc/03/70/37/640037037.db2.gz ZZRYLUVTJZYCJO-ZDUSSCGKSA-N 0 3 299.374 2.137 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)c3cccnc3)CCC[C@H]12 ZINC000992410768 640046517 /nfs/dbraw/zinc/04/65/17/640046517.db2.gz OWAJHVDRWLQLCB-QILLFSRXSA-N 0 3 299.418 2.484 20 30 CEEDHN C[C@H](NCc1cc(C#N)cnc1Cl)[C@H]1CCOC1 ZINC000877065048 650556390 /nfs/dbraw/zinc/55/63/90/650556390.db2.gz WFYTZWQDASJVGP-ONGXEEELSA-N 0 3 265.744 2.121 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001015372500 640322976 /nfs/dbraw/zinc/32/29/76/640322976.db2.gz KHKBWCVDIJNSOL-SFHVURJKSA-N 0 3 296.414 2.320 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC2CC2)[C@@H]1C ZINC000992974871 640388642 /nfs/dbraw/zinc/38/86/42/640388642.db2.gz XKYWTIIAHVJGQA-GXTWGEPZSA-N 0 3 250.386 2.332 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(Cl)c[nH]2)[C@H]1C ZINC000993026465 640406079 /nfs/dbraw/zinc/40/60/79/640406079.db2.gz SPFITIWSYPFNKK-YPMHNXCESA-N 0 3 293.798 2.274 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(F)cn2)[C@@H]1C ZINC000993234083 640565891 /nfs/dbraw/zinc/56/58/91/640565891.db2.gz PTKINONWJFDVMA-GXTWGEPZSA-N 0 3 291.370 2.380 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1C ZINC000993434821 640644977 /nfs/dbraw/zinc/64/49/77/640644977.db2.gz VOGZVOWEMIXZRC-CJNGLKHVSA-N 0 3 299.418 2.498 20 30 CEEDHN C=CCN1CCC[C@H](NC(=O)c2ccn3cncc3c2)[C@@H]1C ZINC000993542339 640654233 /nfs/dbraw/zinc/65/42/33/640654233.db2.gz ZKYYDWUZBIZMIQ-BBRMVZONSA-N 0 3 298.390 2.103 20 30 CEEDHN C[C@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(C#N)cc1 ZINC000844313492 640673505 /nfs/dbraw/zinc/67/35/05/640673505.db2.gz SHPSGMCUWBWCPM-XHDPSFHLSA-N 0 3 285.347 2.192 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccn(C)c2C)[C@@H]1C ZINC000993789302 640680640 /nfs/dbraw/zinc/68/06/40/640680640.db2.gz QIMUUUBRWUWZLF-HOCLYGCPSA-N 0 3 289.423 2.492 20 30 CEEDHN CCn1cc(CN(CCO[C@H](C)C#N)C(C)C)cn1 ZINC000844424145 640719544 /nfs/dbraw/zinc/71/95/44/640719544.db2.gz ZMVDQORTJQZPPE-CYBMUJFWSA-N 0 3 264.373 2.042 20 30 CEEDHN C=CCNC(=S)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000916011035 640722902 /nfs/dbraw/zinc/72/29/02/640722902.db2.gz BBQWFDOISLDGSJ-HNNXBMFYSA-N 0 3 289.448 2.301 20 30 CEEDHN C[C@@H](CCO)N(C)Cc1cc(Cl)ccc1OCC#N ZINC000844445397 640728653 /nfs/dbraw/zinc/72/86/53/640728653.db2.gz CHSQDFPMZWGATI-NSHDSACASA-N 0 3 282.771 2.445 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)C)[C@@H]1C ZINC000994266861 640793940 /nfs/dbraw/zinc/79/39/40/640793940.db2.gz VYTCUCCNFKXECU-QWHCGFSZSA-N 0 3 250.386 2.025 20 30 CEEDHN C=C(C)CONC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000845611037 641017062 /nfs/dbraw/zinc/01/70/62/641017062.db2.gz NJSNSRGBUSMVGF-UKRRQHHQSA-N 0 3 291.395 2.485 20 30 CEEDHN C=C[C@@H](C)ONC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000845634777 641030941 /nfs/dbraw/zinc/03/09/41/641030941.db2.gz WCCJNWIBSBZSSN-ZIAGYGMSSA-N 0 3 291.395 2.312 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845733840 641063891 /nfs/dbraw/zinc/06/38/91/641063891.db2.gz DRWXYZYOUDAVAN-QWHCGFSZSA-N 0 3 269.385 2.384 20 30 CEEDHN C#CC1(F)CN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000919956131 641098397 /nfs/dbraw/zinc/09/83/97/641098397.db2.gz MYGGGNUIVVGYMP-UHFFFAOYSA-N 0 3 285.322 2.088 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC000921130968 641229060 /nfs/dbraw/zinc/22/90/60/641229060.db2.gz DXTCWSFYORQZTH-SMDDNHRTSA-N 0 3 290.338 2.238 20 30 CEEDHN COc1ccc(NC(=O)[C@@H](N)CCC(C)C)cc1C#N ZINC000877269631 650647961 /nfs/dbraw/zinc/64/79/61/650647961.db2.gz AUDUMDATLFEEEH-ZDUSSCGKSA-N 0 3 275.352 2.269 20 30 CEEDHN C=CC(C)(C)CCCNC(=O)[C@@H](N)CCCC#N ZINC000877304205 650663866 /nfs/dbraw/zinc/66/38/66/650663866.db2.gz VIOAEFLIXJLJOY-LBPRGKRZSA-N 0 3 251.374 2.116 20 30 CEEDHN C#C[C@H]1CCCN(CCOc2cccc(C(=O)OC)c2)C1 ZINC000847022224 641529309 /nfs/dbraw/zinc/52/93/09/641529309.db2.gz GFPNLTWSGDCLRK-AWEZNQCLSA-N 0 3 287.359 2.197 20 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C#C[C@@H](NCc1cccc(CC)c1O)[C@H]1CCCO1 ZINC000848904210 642181485 /nfs/dbraw/zinc/18/14/85/642181485.db2.gz NKMKOHCLYMCDPX-HUUCEWRRSA-N 0 3 259.349 2.225 20 30 CEEDHN N#Cc1cc(CNCCC(=O)N2CCCCC2)cs1 ZINC000921547352 642228600 /nfs/dbraw/zinc/22/86/00/642228600.db2.gz CXAYWWXGFQKISX-UHFFFAOYSA-N 0 3 277.393 2.112 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cncc(CC)c2)CC1 ZINC000997228379 642233436 /nfs/dbraw/zinc/23/34/36/642233436.db2.gz HJSKEVRAMZFHJK-CQSZACIVSA-N 0 3 299.418 2.108 20 30 CEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2coc(C)c2)CC1 ZINC000997553125 642307137 /nfs/dbraw/zinc/30/71/37/642307137.db2.gz VKXPVLFNVOISFX-AWEZNQCLSA-N 0 3 288.391 2.442 20 30 CEEDHN CCC(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000998318396 642384991 /nfs/dbraw/zinc/38/49/91/642384991.db2.gz STOPMBNKMYMXFS-NSHDSACASA-N 0 3 277.393 2.110 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2csnc2C)C1 ZINC000998661508 642427334 /nfs/dbraw/zinc/42/73/34/642427334.db2.gz VBJBXZZVGFYIQJ-UHFFFAOYSA-N 0 3 299.827 2.397 20 30 CEEDHN C#C[C@H](CC)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000877513419 650758520 /nfs/dbraw/zinc/75/85/20/650758520.db2.gz VNJRURUNOFSXPL-MRXNPFEDSA-N 0 3 270.376 2.424 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2ccsc2)CC1 ZINC001000410915 642603576 /nfs/dbraw/zinc/60/35/76/642603576.db2.gz AFBSDOFHPLLDGJ-UHFFFAOYSA-N 0 3 262.378 2.296 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2occ3c2CCC3)CC1 ZINC001001005021 642674830 /nfs/dbraw/zinc/67/48/30/642674830.db2.gz TVPIFGJCEDSTQK-UHFFFAOYSA-N 0 3 286.375 2.316 20 30 CEEDHN C#Cc1ccc(CNCC[S@](=O)CC(F)(F)F)cc1 ZINC000850349269 642676261 /nfs/dbraw/zinc/67/62/61/642676261.db2.gz DXPUMSVKGQTPAP-IBGZPJMESA-N 0 3 289.322 2.069 20 30 CEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001001227421 642700847 /nfs/dbraw/zinc/70/08/47/642700847.db2.gz QYGSMRFGKAAWII-DZGCQCFKSA-N 0 3 262.397 2.357 20 30 CEEDHN C#CCN1CCC(CNC(=O)C2CCCCCC2)CC1 ZINC001001237679 642703184 /nfs/dbraw/zinc/70/31/84/642703184.db2.gz IHXSRJGGTCPSJF-UHFFFAOYSA-N 0 3 276.424 2.418 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2cc(F)ccc2F)CC1 ZINC001001480462 642725653 /nfs/dbraw/zinc/72/56/53/642725653.db2.gz DUTAHBJWVGNOJK-UHFFFAOYSA-N 0 3 292.329 2.040 20 30 CEEDHN CC#CCN1CCC(CNC(=O)[C@H]2Cc3ccccc32)CC1 ZINC001001784693 642736638 /nfs/dbraw/zinc/73/66/38/642736638.db2.gz FFLNWZKYFQCRKB-SFHVURJKSA-N 0 3 296.414 2.178 20 30 CEEDHN C[C@H]1CCC[C@@]1(O)CNCc1cc(C#N)cnc1Cl ZINC000877552622 650784304 /nfs/dbraw/zinc/78/43/04/650784304.db2.gz FLULUGMCGLSYGG-IINYFYTJSA-N 0 3 279.771 2.247 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(Cl)c(C)nn1C ZINC000922091009 642874956 /nfs/dbraw/zinc/87/49/56/642874956.db2.gz ZWFUBCOZZNITRZ-SMDDNHRTSA-N 0 3 283.803 2.453 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cnn(CC2CCC2)c1 ZINC000922157231 642912352 /nfs/dbraw/zinc/91/23/52/642912352.db2.gz BERRVXAPWHSSTN-CABCVRRESA-N 0 3 261.369 2.116 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccnn1C1CCC1 ZINC000922164192 642928242 /nfs/dbraw/zinc/92/82/42/642928242.db2.gz RCVKWXUFDZTPEG-CABCVRRESA-N 0 3 261.369 2.431 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccc(C(=O)OC)cc1F ZINC000922166946 642930378 /nfs/dbraw/zinc/93/03/78/642930378.db2.gz KPNJMWULZRTBRX-CYBMUJFWSA-N 0 3 281.327 2.029 20 30 CEEDHN C=CCN1CCC(NC(=O)c2coc(CC3CC3)n2)CC1 ZINC001003870665 643011226 /nfs/dbraw/zinc/01/12/26/643011226.db2.gz RQCYPTNNRXJYMF-UHFFFAOYSA-N 0 3 289.379 2.007 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cc(C)cnc1Cl ZINC000922335689 643034333 /nfs/dbraw/zinc/03/43/33/643034333.db2.gz NNJHRIOPPWUARX-LBPRGKRZSA-N 0 3 254.761 2.460 20 30 CEEDHN C#CCN(C[C@H](COC)OC)[C@H]1CCc2ccccc21 ZINC000851736259 643135842 /nfs/dbraw/zinc/13/58/42/643135842.db2.gz OIYFMGGCXNHPTH-WBVHZDCISA-N 0 3 273.376 2.271 20 30 CEEDHN C#CCOCCN1CCN(c2ccccc2)C[C@@H]1CC ZINC000851938142 643234158 /nfs/dbraw/zinc/23/41/58/643234158.db2.gz KGXPUCOPFHBNBV-INIZCTEOSA-N 0 3 272.392 2.237 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000852097900 643300674 /nfs/dbraw/zinc/30/06/74/643300674.db2.gz ZXJGEGZNBQVHAT-TTZDDIAXSA-N 0 3 264.413 2.319 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000852097898 643301198 /nfs/dbraw/zinc/30/11/98/643301198.db2.gz ZXJGEGZNBQVHAT-HLPPOEQASA-N 0 3 264.413 2.319 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cncc(C)c2)CC1 ZINC001005208763 643394483 /nfs/dbraw/zinc/39/44/83/643394483.db2.gz IAQRLTQKPFJEHI-UHFFFAOYSA-N 0 3 273.380 2.112 20 30 CEEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccnn2CC)CC1 ZINC001005310518 643401120 /nfs/dbraw/zinc/40/11/20/643401120.db2.gz NBHHIDJTUKPHHG-UHFFFAOYSA-N 0 3 290.411 2.016 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2c(C)ccn2C)CC1 ZINC001005312867 643401384 /nfs/dbraw/zinc/40/13/84/643401384.db2.gz DMYPLAMOBSUGQS-UHFFFAOYSA-N 0 3 275.396 2.056 20 30 CEEDHN CCN1C[C@@H](CNC(C)(C)c2cccc(C#N)c2)OC1=O ZINC000852353843 643405789 /nfs/dbraw/zinc/40/57/89/643405789.db2.gz PSEBMYCSUFKVCY-CQSZACIVSA-N 0 3 287.363 2.224 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2c(F)cncc2F)CC1 ZINC001005453037 643407882 /nfs/dbraw/zinc/40/78/82/643407882.db2.gz GHSPNIIMLHQNFK-UHFFFAOYSA-N 0 3 295.333 2.082 20 30 CEEDHN C#CCCCCCCN1CCO[C@](C)(COC)C1 ZINC000877661367 650838840 /nfs/dbraw/zinc/83/88/40/650838840.db2.gz AQSMWNAUVMSNFV-HNNXBMFYSA-N 0 3 253.386 2.307 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2ccn3ccnc3c2)CC1 ZINC001005706809 643432827 /nfs/dbraw/zinc/43/28/27/643432827.db2.gz BZCSPOLKJVLJEH-UHFFFAOYSA-N 0 3 298.390 2.057 20 30 CEEDHN C#CCCN(CCOC)Cc1ccc2c(c1)COC2 ZINC000852750728 643534310 /nfs/dbraw/zinc/53/43/10/643534310.db2.gz CZUUYSUTZGNOSW-UHFFFAOYSA-N 0 3 259.349 2.189 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCc3cccnc32)CC1 ZINC001005894660 643540288 /nfs/dbraw/zinc/54/02/88/643540288.db2.gz YUIDRLTWUMXTQN-MRXNPFEDSA-N 0 3 299.418 2.220 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)C[C@H]2CC[C@H](C)O2)CC1 ZINC001005935921 643573948 /nfs/dbraw/zinc/57/39/48/643573948.db2.gz IKSCFZNIBDDCEX-DZGCQCFKSA-N 0 3 280.412 2.053 20 30 CEEDHN C=C1CCC(C(=O)N(C)C2CCN(CCOC)CC2)CC1 ZINC001005937237 643574112 /nfs/dbraw/zinc/57/41/12/643574112.db2.gz OHJOYSLQDYUYSF-UHFFFAOYSA-N 0 3 294.439 2.302 20 30 CEEDHN CC(C)CNN=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853327523 643741657 /nfs/dbraw/zinc/74/16/57/643741657.db2.gz QUTODDORULRMBQ-UHFFFAOYSA-N 0 3 275.396 2.227 20 30 CEEDHN C#C[C@@H](CC)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000854072553 643977816 /nfs/dbraw/zinc/97/78/16/643977816.db2.gz GVXIZFZREOWGLL-ZDUSSCGKSA-N 0 3 293.436 2.233 20 30 CEEDHN C#C[C@@H](CC)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000854074014 643978462 /nfs/dbraw/zinc/97/84/62/643978462.db2.gz IZPDUNDFAHVTJZ-AWEZNQCLSA-N 0 3 277.412 2.058 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(C2CC2)cc1 ZINC000854663870 644122017 /nfs/dbraw/zinc/12/20/17/644122017.db2.gz GPUMGBPSKMHYAT-UHFFFAOYSA-N 0 3 270.376 2.249 20 30 CEEDHN C#CCN(C)CCCNC(=O)C(C)(C)CC(F)(F)F ZINC000854664581 644122835 /nfs/dbraw/zinc/12/28/35/644122835.db2.gz XOZOBZSGPQQLEN-UHFFFAOYSA-N 0 3 278.318 2.036 20 30 CEEDHN CC(C)[C@H]1CN(Cc2cc(C#N)cnc2Cl)CCN1C ZINC000877750929 650893549 /nfs/dbraw/zinc/89/35/49/650893549.db2.gz OLUSISVOMRLEAL-CQSZACIVSA-N 0 3 292.814 2.379 20 30 CEEDHN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc2c(c1)COC2 ZINC000753936797 644297415 /nfs/dbraw/zinc/29/74/15/644297415.db2.gz AUCVCFNGXAQELV-HZPDHXFCSA-N 0 3 298.390 2.301 20 30 CEEDHN C=CCNC(=S)N1CCCN(Cc2ccccc2)CC1 ZINC000754081277 644320591 /nfs/dbraw/zinc/32/05/91/644320591.db2.gz ISUOTEABTGGVNZ-UHFFFAOYSA-N 0 3 289.448 2.255 20 30 CEEDHN CCCCCCN(C)CC(=O)N1CC[C@](C)(C#N)C1 ZINC000856196136 644600097 /nfs/dbraw/zinc/60/00/97/644600097.db2.gz FIPUPAFCDYKKQU-OAHLLOKOSA-N 0 3 265.401 2.261 20 30 CEEDHN CC[C@@H]1CN(C(=O)c2ccc(C)c(C#N)c2)C[C@H](C)N1 ZINC000856407766 644662466 /nfs/dbraw/zinc/66/24/66/644662466.db2.gz AMJCYOOVDCPCLC-SWLSCSKDSA-N 0 3 271.364 2.079 20 30 CEEDHN C#CCCCCCC(=O)N1C[C@@H](CC)N[C@@H](C)C1 ZINC000856408935 644663844 /nfs/dbraw/zinc/66/38/44/644663844.db2.gz YIEQTYATVXSLHY-UONOGXRCSA-N 0 3 250.386 2.169 20 30 CEEDHN C[C@H](C#N)OCCN1Cc2ccccc2N(C)C[C@@H]1C ZINC000857566246 644921389 /nfs/dbraw/zinc/92/13/89/644921389.db2.gz YRAGQRPBKWNVQZ-UONOGXRCSA-N 0 3 273.380 2.256 20 30 CEEDHN C=CC[C@@H](C)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000877988287 650968133 /nfs/dbraw/zinc/96/81/33/650968133.db2.gz FTOSAVSPUBVZIX-CYBMUJFWSA-N 0 3 256.353 2.040 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000805185235 645064896 /nfs/dbraw/zinc/06/48/96/645064896.db2.gz VFGYBEXVNRPSQX-IAGOWNOFSA-N 0 3 299.418 2.014 20 30 CEEDHN Cc1ccc(OCC(=O)C(C#N)c2ccncn2)cc1C ZINC000760338722 645142514 /nfs/dbraw/zinc/14/25/14/645142514.db2.gz FPCBIANZFSTOCT-AWEZNQCLSA-N 0 3 281.315 2.349 20 30 CEEDHN CC[C@@H](OC1CCCC1)C(=O)C(C#N)c1ccncn1 ZINC000760342968 645143120 /nfs/dbraw/zinc/14/31/20/645143120.db2.gz AQGYWEXQIULNIO-GXTWGEPZSA-N 0 3 273.336 2.391 20 30 CEEDHN Cc1cccc(C)c1OCC(=O)C(C#N)c1ccncn1 ZINC000760342481 645143401 /nfs/dbraw/zinc/14/34/01/645143401.db2.gz YCXDQXLJAGJFKM-ZDUSSCGKSA-N 0 3 281.315 2.349 20 30 CEEDHN C=C1CCN(C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000878087137 650993773 /nfs/dbraw/zinc/99/37/73/650993773.db2.gz HLSVUHUVRPFKSV-HZPDHXFCSA-N 0 3 261.365 2.123 20 30 CEEDHN C#CCCOC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000859065953 645343756 /nfs/dbraw/zinc/34/37/56/645343756.db2.gz ZXJFXYGSCGLWPI-INIZCTEOSA-N 0 3 286.375 2.353 20 30 CEEDHN Cc1ccccc1[C@@H](C)CC(=O)C(C#N)C(=O)NC1CC1 ZINC000116592731 645395380 /nfs/dbraw/zinc/39/53/80/645395380.db2.gz BMIWMBGJIVUWMN-SWLSCSKDSA-N 0 3 284.359 2.476 20 30 CEEDHN C#CCCOC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000859162217 645396472 /nfs/dbraw/zinc/39/64/72/645396472.db2.gz YYLGPUUXIDJXCC-GDBMZVCRSA-N 0 3 286.375 2.399 20 30 CEEDHN C#CCCOC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000859161651 645396907 /nfs/dbraw/zinc/39/69/07/645396907.db2.gz QSOQHKFDYASARZ-CQSZACIVSA-N 0 3 278.327 2.178 20 30 CEEDHN CN(CCN1CCCC1)C(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000859184054 645406981 /nfs/dbraw/zinc/40/69/81/645406981.db2.gz XZJJYYUPGRHVSU-UHFFFAOYSA-N 0 3 299.418 2.390 20 30 CEEDHN C#CCCOC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000859208240 645419318 /nfs/dbraw/zinc/41/93/18/645419318.db2.gz DAKSIWSKERNMHC-KRWDZBQOSA-N 0 3 286.375 2.401 20 30 CEEDHN N=C(N)NN=C1CCCc2c3ccccc3sc21 ZINC000763107208 645505778 /nfs/dbraw/zinc/50/57/78/645505778.db2.gz XDUPOUJMYRYEMS-UHFFFAOYSA-N 0 3 258.350 2.425 20 30 CEEDHN C[C@@H](NC[C@H]1CC2(CC2)C(=O)O1)c1ccc(C#N)cc1 ZINC000763738787 645572321 /nfs/dbraw/zinc/57/23/21/645572321.db2.gz UHQFUTRHBTYZCE-BXUZGUMPSA-N 0 3 270.332 2.305 20 30 CEEDHN CCN1C[C@H](C)N(C[C@H](O)c2ccc(C#N)cc2)C[C@H]1C ZINC000766255922 645865536 /nfs/dbraw/zinc/86/55/36/645865536.db2.gz ZGUJXFMIJQXILK-KEYYUXOJSA-N 0 3 287.407 2.006 20 30 CEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C23CC(C2)C3)c1 ZINC000860692267 645875648 /nfs/dbraw/zinc/87/56/48/645875648.db2.gz DAPADLFKWNZWKN-UUCFBXCCSA-N 0 3 282.343 2.120 20 30 CEEDHN C=CCCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768448650 646123974 /nfs/dbraw/zinc/12/39/74/646123974.db2.gz UWVUKBOARXUANO-AWEZNQCLSA-N 0 3 263.337 2.216 20 30 CEEDHN C=CCCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768448650 646123978 /nfs/dbraw/zinc/12/39/78/646123978.db2.gz UWVUKBOARXUANO-AWEZNQCLSA-N 0 3 263.337 2.216 20 30 CEEDHN C[C@@H](C#N)Oc1ccc(CN(C)[C@H]2CCOC2)cc1 ZINC000769328544 646246084 /nfs/dbraw/zinc/24/60/84/646246084.db2.gz JOWLTKVCRPUDQK-JSGCOSHPSA-N 0 3 260.337 2.198 20 30 CEEDHN CCCCCCCC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861710681 646253922 /nfs/dbraw/zinc/25/39/22/646253922.db2.gz QASOCGBUXVURKR-LSDHHAIUSA-N 0 3 282.428 2.014 20 30 CEEDHN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccccc1N(C)C ZINC000769583676 646288840 /nfs/dbraw/zinc/28/88/40/646288840.db2.gz FFXULOROFUGNDE-GASCZTMLSA-N 0 3 299.422 2.337 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000769846395 646326225 /nfs/dbraw/zinc/32/62/25/646326225.db2.gz MCLKDAMBXFRCBX-IXDOHACOSA-N 0 3 297.402 2.459 20 30 CEEDHN CCCCCCCNC(=O)CCN1CCN(CC)CC1 ZINC000862358868 646410935 /nfs/dbraw/zinc/41/09/35/646410935.db2.gz YKFOCQRKEXRHRH-UHFFFAOYSA-N 0 3 283.460 2.101 20 30 CEEDHN C#CC[C@@H](CCOC)[NH2+]Cc1cc(F)ccc1[O-] ZINC000862547625 646494485 /nfs/dbraw/zinc/49/44/85/646494485.db2.gz LAKDANPJLCQJKF-ZDUSSCGKSA-N 0 3 251.301 2.049 20 30 CEEDHN C#CC[C@H](CCOC)NCc1ccc2c(n1)CCC2 ZINC000862549239 646495652 /nfs/dbraw/zinc/49/56/52/646495652.db2.gz XVGUPLQTTVHQBN-CQSZACIVSA-N 0 3 258.365 2.088 20 30 CEEDHN C#CC[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000862568206 646505801 /nfs/dbraw/zinc/50/58/01/646505801.db2.gz VCGDFZODOMAJEN-CQSZACIVSA-N 0 3 270.376 2.234 20 30 CEEDHN Cc1nnc(C)n1N=CCCc1ccc2c(c1)CCO2 ZINC000774350940 646838090 /nfs/dbraw/zinc/83/80/90/646838090.db2.gz QYQXRVNEPLWMFJ-UHFFFAOYSA-N 0 3 270.336 2.297 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774484740 646852889 /nfs/dbraw/zinc/85/28/89/646852889.db2.gz RWBPMTWILGVHEK-STQMWFEESA-N 0 3 275.396 2.094 20 30 CEEDHN CN(CCO)c1ccc(C=NOC2CCCC2)cc1 ZINC000774607828 646866315 /nfs/dbraw/zinc/86/63/15/646866315.db2.gz INWLLIHLBDFGQI-UHFFFAOYSA-N 0 3 262.353 2.408 20 30 CEEDHN COCC#CCN[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000775270856 646936228 /nfs/dbraw/zinc/93/62/28/646936228.db2.gz CCOZFGSQYXWKEH-CQSZACIVSA-N 0 3 286.375 2.114 20 30 CEEDHN C#CC[C@@H](NC[C@H](C)CS(C)(=O)=O)c1ccccc1 ZINC000775398419 646950502 /nfs/dbraw/zinc/95/05/02/646950502.db2.gz ILTZOSAUUMXVPP-DZGCQCFKSA-N 0 3 279.405 2.021 20 30 CEEDHN CC[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccccc1[O-] ZINC000775502839 646960784 /nfs/dbraw/zinc/96/07/84/646960784.db2.gz WKDGXFNTHWTWPR-OAHLLOKOSA-N 0 3 273.380 2.421 20 30 CEEDHN C#C[C@H](N[C@H]1CCN(c2ccccc2)C1)[C@@H]1CCCO1 ZINC000775571873 646967152 /nfs/dbraw/zinc/96/71/52/646967152.db2.gz LTTVXPSIUOUVIE-XIRDDKMYSA-N 0 3 270.376 2.036 20 30 CEEDHN C#CCOc1ccc(CN2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000775984864 647013466 /nfs/dbraw/zinc/01/34/66/647013466.db2.gz HRTKRFUKQIOCPF-CABCVRRESA-N 0 3 272.392 2.223 20 30 CEEDHN C#CCNC(=O)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000776026622 647017570 /nfs/dbraw/zinc/01/75/70/647017570.db2.gz QYQZPQPEPIDFPV-HZUKXOBISA-N 0 3 290.794 2.376 20 30 CEEDHN CN(C)c1ccncc1CN=Nc1nccnc1Cl ZINC000776185468 647033115 /nfs/dbraw/zinc/03/31/15/647033115.db2.gz BPMVZLNEBHUAMS-UHFFFAOYSA-N 0 3 276.731 2.037 20 30 CEEDHN C#CCCN1CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000776593628 647076428 /nfs/dbraw/zinc/07/64/28/647076428.db2.gz YPKYXAYSAKAPMV-UHFFFAOYSA-N 0 3 295.386 2.081 20 30 CEEDHN C[C@H](CNC(=O)c1coc(C#N)c1)N1CCCC[C@H]1C ZINC000864871579 647124170 /nfs/dbraw/zinc/12/41/70/647124170.db2.gz HQSSMJCKKDMRAZ-VXGBXAGGSA-N 0 3 275.352 2.144 20 30 CEEDHN CCCN(CCN(C)C)C(=O)c1sccc1CC#N ZINC000865176796 647199081 /nfs/dbraw/zinc/19/90/81/647199081.db2.gz ZGTSVFPADFGNMZ-UHFFFAOYSA-N 0 3 279.409 2.228 20 30 CEEDHN C=CCN1CCC(NC(=O)CCCCCOCC)CC1 ZINC000865193237 647202768 /nfs/dbraw/zinc/20/27/68/647202768.db2.gz IXULYPDGNPZGGA-UHFFFAOYSA-N 0 3 282.428 2.350 20 30 CEEDHN C#CCCCNCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865477476 647314840 /nfs/dbraw/zinc/31/48/40/647314840.db2.gz DWHZZMGHXXTYOL-UHFFFAOYSA-N 0 3 290.367 2.327 20 30 CEEDHN C=CCCn1cc(CN[C@@H](C2CCC2)[C@H]2CCOC2)nn1 ZINC000865759835 647455261 /nfs/dbraw/zinc/45/52/61/647455261.db2.gz SFQKDLIGMMKCIM-HOCLYGCPSA-N 0 3 290.411 2.149 20 30 CEEDHN C[C@H](NC(=O)Cc1ccccc1CC#N)C1=CCN(C)CC1 ZINC000781183943 647505430 /nfs/dbraw/zinc/50/54/30/647505430.db2.gz PYTWPMAJXAKIJX-AWEZNQCLSA-N 0 3 297.402 2.062 20 30 CEEDHN C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccccc1[O-] ZINC000783508195 647722562 /nfs/dbraw/zinc/72/25/62/647722562.db2.gz IIHYHUXKLNIFGV-GFCCVEGCSA-N 0 3 259.353 2.031 20 30 CEEDHN C[C@H](C#N)OCCN1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000805749067 647741538 /nfs/dbraw/zinc/74/15/38/647741538.db2.gz JMEXMBDDEUSYAU-UMVBOHGHSA-N 0 3 259.353 2.393 20 30 CEEDHN N#Cc1ccc(CN[C@@H](C2CCC2)[C@H]2CCCO2)nc1 ZINC000866344605 647747396 /nfs/dbraw/zinc/74/73/96/647747396.db2.gz WMUJBCFACHLQAL-CVEARBPZSA-N 0 3 271.364 2.391 20 30 CEEDHN CC#CCCN1CCCC[C@@H]1COC(=O)N(C)CC ZINC000805761601 647853686 /nfs/dbraw/zinc/85/36/86/647853686.db2.gz BWBMJYVYPCGEFN-CQSZACIVSA-N 0 3 266.385 2.343 20 30 CEEDHN C#CCCOC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC000867650115 647939327 /nfs/dbraw/zinc/93/93/27/647939327.db2.gz AAPSQIAVOXKZOX-MRXNPFEDSA-N 0 3 286.375 2.319 20 30 CEEDHN N#CC1(COC(=O)C2CCN(C3CC3)CC2)CCCC1 ZINC000805913191 648382631 /nfs/dbraw/zinc/38/26/31/648382631.db2.gz VFKQSIOLLGYQPT-UHFFFAOYSA-N 0 3 276.380 2.488 20 30 CEEDHN CN(C)CCN(C)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790709909 648441760 /nfs/dbraw/zinc/44/17/60/648441760.db2.gz VDCOJMNFHOAHCV-UHFFFAOYSA-N 0 3 298.308 2.077 20 30 CEEDHN CN(CCOC(=O)c1coc(C#N)c1)Cc1ccccc1 ZINC000870007004 648678928 /nfs/dbraw/zinc/67/89/28/648678928.db2.gz HIFFUEJUNDXBKS-UHFFFAOYSA-N 0 3 284.315 2.440 20 30 CEEDHN CN(CCC#N)c1ccc(C[NH2+]Cc2ncccc2[O-])cc1 ZINC000793257138 648731799 /nfs/dbraw/zinc/73/17/99/648731799.db2.gz QGGNTQWUONPINH-UHFFFAOYSA-N 0 3 296.374 2.427 20 30 CEEDHN C[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc[nH]1 ZINC000793588044 648780332 /nfs/dbraw/zinc/78/03/32/648780332.db2.gz YPOLZFFSDMNPPZ-LLVKDONJSA-N 0 3 265.320 2.385 20 30 CEEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC000870909520 648950823 /nfs/dbraw/zinc/95/08/23/648950823.db2.gz GUWGIPLDQQGBFQ-QGZVFWFLSA-N 0 3 284.403 2.489 20 30 CEEDHN Cn1cc(CCNC[C@H](C#N)CCC#N)c2cccnc21 ZINC000871923536 649216969 /nfs/dbraw/zinc/21/69/69/649216969.db2.gz VRRZKEYZKQKXKV-ZDUSSCGKSA-N 0 3 281.363 2.149 20 30 CEEDHN C(=NNCCN1CCCCC1)c1cc2c([nH]1)CCCC2 ZINC000872343760 649361005 /nfs/dbraw/zinc/36/10/05/649361005.db2.gz LNXLTUQAIPRALI-UHFFFAOYSA-N 0 3 274.412 2.303 20 30 CEEDHN FC1(F)CCC[C@@H]1CNN=C1CN2C[C@@H]1CCC2 ZINC000872405586 649381927 /nfs/dbraw/zinc/38/19/27/649381927.db2.gz NMWUCUDMLQOZTB-WDEREUQCSA-N 0 3 257.328 2.093 20 30 CEEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(C#N)ccc1F ZINC000874826283 649842755 /nfs/dbraw/zinc/84/27/55/649842755.db2.gz NGPQAKMDVAMACD-LSDHHAIUSA-N 0 3 287.338 2.006 20 30 CEEDHN C#CCCCN1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC000879219352 651262749 /nfs/dbraw/zinc/26/27/49/651262749.db2.gz PRHCDCCMPLTJRZ-STQMWFEESA-N 0 3 264.369 2.093 20 30 CEEDHN CC1(C)C[C@H](O)CN(CCOc2ccccc2C#N)C1 ZINC000879617765 651330318 /nfs/dbraw/zinc/33/03/18/651330318.db2.gz OMHPTIQIAIMVGO-AWEZNQCLSA-N 0 3 274.364 2.030 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@@]2(CCc3ccccc32)C1 ZINC000879994528 651370574 /nfs/dbraw/zinc/37/05/74/651370574.db2.gz HCNJMKUZXLUHKW-KSSFIOAISA-N 0 3 284.403 2.267 20 30 CEEDHN C=CCN1CC[C@@H](N2CC[C@]3(CCc4ccccc43)C2)C1=O ZINC000879996984 651370962 /nfs/dbraw/zinc/37/09/62/651370962.db2.gz LKQSKQRSZAUADO-IEBWSBKVSA-N 0 3 296.414 2.363 20 30 CEEDHN CC(C)(O)[C@@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000880147803 651392979 /nfs/dbraw/zinc/39/29/79/651392979.db2.gz JGXWPAKMIQJCCT-CQSZACIVSA-N 0 3 261.340 2.270 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCSC(C)(C)C2)CC1 ZINC000888808516 651426672 /nfs/dbraw/zinc/42/66/72/651426672.db2.gz BEQBUZCBFYCBBT-AWEZNQCLSA-N 0 3 294.464 2.122 20 30 CEEDHN CC[C@H](NCc1ccncc1C#N)[C@H]1CCCOC1 ZINC000880470215 651446485 /nfs/dbraw/zinc/44/64/85/651446485.db2.gz MRSMHDXYFSHKNU-ZFWWWQNUSA-N 0 3 259.353 2.248 20 30 CEEDHN CCN1CC[C@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000882961667 652292823 /nfs/dbraw/zinc/29/28/23/652292823.db2.gz UCEPGCYITLKZSG-VIFPVBQESA-N 0 3 250.733 2.113 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccc(SC(F)F)cc1 ZINC000883124300 652369973 /nfs/dbraw/zinc/36/99/73/652369973.db2.gz CTDJWVJGYHRUHZ-NSHDSACASA-N 0 3 271.332 2.475 20 30 CEEDHN C#CC[C@H](CO)NCc1cc2cccc(CC)c2o1 ZINC000883125234 652371010 /nfs/dbraw/zinc/37/10/10/652371010.db2.gz COLKQKXGUZHLEB-CQSZACIVSA-N 0 3 257.333 2.469 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000883400875 652456628 /nfs/dbraw/zinc/45/66/28/652456628.db2.gz XKYXCAFHLXUEGB-WFASDCNBSA-N 0 3 291.391 2.435 20 30 CEEDHN Cc1cccc(C)c1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884048286 652659195 /nfs/dbraw/zinc/65/91/95/652659195.db2.gz GGVAWVSDCWEUKD-UUCFBXCCSA-N 0 3 283.375 2.381 20 30 CEEDHN CC(C)CC(C)(C)CNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884170987 652739870 /nfs/dbraw/zinc/73/98/70/652739870.db2.gz KMFGHUFUGRLYDC-UUCFBXCCSA-N 0 3 291.439 2.314 20 30 CEEDHN C[C@H]1CN(c2ncnc3ccc(C#N)cc32)[C@@H](C)CN1C ZINC001164638740 719169733 /nfs/dbraw/zinc/16/97/33/719169733.db2.gz RKRPEQMNHUTQFM-RYUDHWBXSA-N 0 3 281.363 2.030 20 30 CEEDHN C=CCN1CCC[C@](C)(CNC(=O)Cc2ccoc2)C1 ZINC001270950611 805697971 /nfs/dbraw/zinc/69/79/71/805697971.db2.gz UZMLIOVSFJKRQL-MRXNPFEDSA-N 0 3 276.380 2.226 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@@]1(C)CCCN(CC#CC)C1 ZINC001270981817 805705271 /nfs/dbraw/zinc/70/52/71/805705271.db2.gz CADPWBJMSMEIAR-QGZVFWFLSA-N 0 3 276.424 2.440 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C2(C)CC=CC2)[C@H]1CC ZINC001087713018 805777452 /nfs/dbraw/zinc/77/74/52/805777452.db2.gz NHQQYHKPQBAWJW-UONOGXRCSA-N 0 3 262.397 2.498 20 30 CEEDHN C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCC)cc1 ZINC001029417196 805788604 /nfs/dbraw/zinc/78/86/04/805788604.db2.gz MOKSMUYQZVYNDQ-CALCHBBNSA-N 0 3 282.387 2.367 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(Cl)no2)[C@H]1CC ZINC001087805625 805798663 /nfs/dbraw/zinc/79/86/63/805798663.db2.gz ORCQJNXVUBNYNM-WDEREUQCSA-N 0 3 297.786 2.487 20 30 CEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cc[nH]n2)C1 ZINC001088269500 806071069 /nfs/dbraw/zinc/07/10/69/806071069.db2.gz MCKRWSDLGPUFNF-LBPRGKRZSA-N 0 3 296.802 2.137 20 30 CEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2ccn[nH]2)C1 ZINC001088269500 806071079 /nfs/dbraw/zinc/07/10/79/806071079.db2.gz MCKRWSDLGPUFNF-LBPRGKRZSA-N 0 3 296.802 2.137 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@H](CC)C(C)C)C[C@@H]2C1 ZINC001271890788 806130686 /nfs/dbraw/zinc/13/06/86/806130686.db2.gz BOEUYJVOUSNPLB-YESZJQIVSA-N 0 3 290.451 2.472 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cccs2)[C@H]1C ZINC001088448058 806238518 /nfs/dbraw/zinc/23/85/18/806238518.db2.gz OZJFAIONDCZFFI-OCCSQVGLSA-N 0 3 278.421 2.446 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CC=CCC2)[C@H]1C ZINC001088465430 806268585 /nfs/dbraw/zinc/26/85/85/806268585.db2.gz OIIUXSSVJXKOAE-KFWWJZLASA-N 0 3 262.397 2.498 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001272075005 806426646 /nfs/dbraw/zinc/42/66/46/806426646.db2.gz GNTAWBZNEUOJSW-HRCADAONSA-N 0 3 276.424 2.226 20 30 CEEDHN Cc1csc(C(=O)NCCNCc2cccc(C#N)c2)c1 ZINC001126733412 806463723 /nfs/dbraw/zinc/46/37/23/806463723.db2.gz VCAJUDMLEZBADR-UHFFFAOYSA-N 0 3 299.399 2.448 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)c1cc2nc(C)ccc2o1 ZINC001272158809 806565960 /nfs/dbraw/zinc/56/59/60/806565960.db2.gz WKDDQJBVGHUSNC-UHFFFAOYSA-N 0 3 299.374 2.163 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H]3C=CCCC3)[C@@H]2C1 ZINC001075936292 806582193 /nfs/dbraw/zinc/58/21/93/806582193.db2.gz YQCUTOIGYQUKMO-HRCADAONSA-N 0 3 274.408 2.452 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ncccc2CC)[C@H]1C ZINC001088685940 806589763 /nfs/dbraw/zinc/58/97/63/806589763.db2.gz HJQMIGIMFSDUPK-HIFRSBDPSA-N 0 3 287.407 2.413 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)[C@H]1C ZINC001088758847 806704116 /nfs/dbraw/zinc/70/41/16/806704116.db2.gz RXOGRGUJNIXBJB-HGTKMLMNSA-N 0 3 262.397 2.332 20 30 CEEDHN CC(C)(C)C#CC(=O)NCCNCc1cccc(F)c1 ZINC001126893022 806759377 /nfs/dbraw/zinc/75/93/77/806759377.db2.gz BSGNNSFLTLSJER-UHFFFAOYSA-N 0 3 276.355 2.081 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)Cc2cccc(C)c2)[C@H]1C ZINC001088828954 806790922 /nfs/dbraw/zinc/79/09/22/806790922.db2.gz ZAYRLLLDUKWLGU-ZBFHGGJFSA-N 0 3 272.392 2.303 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)CCc3cncc(C)c3)[C@@H]2C1 ZINC001076021442 806797416 /nfs/dbraw/zinc/79/74/16/806797416.db2.gz KLSIPVMDYUGWFI-DLBZAZTESA-N 0 3 299.418 2.041 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)C3CCC(=C)CC3)[C@@H]2C1 ZINC001076208758 806825084 /nfs/dbraw/zinc/82/50/84/806825084.db2.gz JSYAFAQNLTUFLF-JKSUJKDBSA-N 0 3 274.408 2.452 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(Cl)[nH]3)[C@@H]2C1 ZINC001076218540 806825913 /nfs/dbraw/zinc/82/59/13/806825913.db2.gz RZSBLXPRXCLHPX-CMPLNLGQSA-N 0 3 279.771 2.000 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C3CC4(CC4)C3)[C@@H]2C1 ZINC001076227534 806828612 /nfs/dbraw/zinc/82/86/12/806828612.db2.gz FWNLKBFWUAIEQH-DZGCQCFKSA-N 0 3 274.408 2.285 20 30 CEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3csc(C)c3)[C@@H]2C1 ZINC001076362691 806842669 /nfs/dbraw/zinc/84/26/69/806842669.db2.gz ALHNRLWPLARKAK-DZGCQCFKSA-N 0 3 288.416 2.226 20 30 CEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)C(F)=C(C)C)[C@H](OC)C1 ZINC001212127735 806894806 /nfs/dbraw/zinc/89/48/06/806894806.db2.gz XOLXLOKMIHMDRD-BFHYXJOUSA-N 0 3 298.402 2.420 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)Cc1cc(F)c(C)cc1F ZINC001266301596 802411655 /nfs/dbraw/zinc/41/16/55/802411655.db2.gz XKITXBUYMSKHDN-UHFFFAOYSA-N 0 3 296.361 2.440 20 30 CEEDHN C=CCCCN1CC[C@H](NC(=O)c2scnc2C)C1 ZINC001266305539 802419172 /nfs/dbraw/zinc/41/91/72/802419172.db2.gz RDTIMENRPCTYKC-LBPRGKRZSA-N 0 3 279.409 2.222 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001266335380 802452829 /nfs/dbraw/zinc/45/28/29/802452829.db2.gz UBAOOULALKDRNE-UONOGXRCSA-N 0 3 250.386 2.047 20 30 CEEDHN C=CCN(C)CCNC(=O)c1ccc(C)nc1OCCC ZINC001266342927 802462269 /nfs/dbraw/zinc/46/22/69/802462269.db2.gz YHZCMDIRGBKBLI-UHFFFAOYSA-N 0 3 291.395 2.026 20 30 CEEDHN C#C[C@H]1CCCN(CCOC(=O)c2ccccc2)C1 ZINC001209046377 802462470 /nfs/dbraw/zinc/46/24/70/802462470.db2.gz HAAUFKLFAWYLGM-AWEZNQCLSA-N 0 3 257.333 2.189 20 30 CEEDHN CC#CCCCC(=O)NC[C@@H](NCc1ccccn1)C1CC1 ZINC001266427011 802562310 /nfs/dbraw/zinc/56/23/10/802562310.db2.gz SMEQUKHMNHCEJE-QGZVFWFLSA-N 0 3 299.418 2.260 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1ccsc1 ZINC001266442597 802593445 /nfs/dbraw/zinc/59/34/45/802593445.db2.gz GPYYWUCFVYFCGH-ZDUSSCGKSA-N 0 3 264.394 2.057 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cccc2c1OCC2 ZINC001167230826 802593821 /nfs/dbraw/zinc/59/38/21/802593821.db2.gz VVTGIRDGDLPJBJ-UHFFFAOYSA-N 0 3 294.782 2.084 20 30 CEEDHN CO[C@H]1CCN(Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140111019 802607221 /nfs/dbraw/zinc/60/72/21/802607221.db2.gz WUUPLGDAVDWFLF-ZDUSSCGKSA-N 0 3 255.321 2.260 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1(C(F)F)CC1 ZINC001266465329 802613897 /nfs/dbraw/zinc/61/38/97/802613897.db2.gz UGWMDDBDDFQHAV-LLVKDONJSA-N 0 3 272.339 2.188 20 30 CEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)C2=CCCC2)C1 ZINC001039197423 802698057 /nfs/dbraw/zinc/69/80/57/802698057.db2.gz NWLAZLPQCFDENU-SJORKVTESA-N 0 3 286.419 2.433 20 30 CEEDHN N#Cc1ccccc1CNCCCNC(=O)[C@H]1CC12CCC2 ZINC001167385015 802763254 /nfs/dbraw/zinc/76/32/54/802763254.db2.gz QKWIKZCAQDRPNP-MRXNPFEDSA-N 0 3 297.402 2.344 20 30 CEEDHN C=CCN(CCNC(=O)c1ccc(F)cc1F)C1CC1 ZINC001266617659 802784725 /nfs/dbraw/zinc/78/47/25/802784725.db2.gz RSBLFSCEKCHPOH-UHFFFAOYSA-N 0 3 280.318 2.345 20 30 CEEDHN CC(C)CC(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001266629769 802795208 /nfs/dbraw/zinc/79/52/08/802795208.db2.gz RGCIXCYONUXRLD-UHFFFAOYSA-N 0 3 273.380 2.152 20 30 CEEDHN C=CCOCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C[C@@H](F)CC ZINC001266646099 802811592 /nfs/dbraw/zinc/81/15/92/802811592.db2.gz UYPPQCFXUFWDQC-AVOUXACISA-N 0 3 298.402 2.049 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)/C=C\C(C)(C)C)C1 ZINC001266743521 802875399 /nfs/dbraw/zinc/87/53/99/802875399.db2.gz OMGCEJOKVDDDRC-CKXPSTMWSA-N 0 3 262.397 2.050 20 30 CEEDHN C=CCCC(=O)NC[C@@H]1CCCN(Cc2ccccn2)C1 ZINC001266743845 802875588 /nfs/dbraw/zinc/87/55/88/802875588.db2.gz SAJNEDGQSQJMIS-HNNXBMFYSA-N 0 3 287.407 2.376 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001266752739 802879643 /nfs/dbraw/zinc/87/96/43/802879643.db2.gz WARBMWIOPSIXHO-ZIAGYGMSSA-N 0 3 298.377 2.273 20 30 CEEDHN C=CCN1CCC2(CC1)CN(C(=O)CC1CC1)C[C@H](C)O2 ZINC001098553628 802901353 /nfs/dbraw/zinc/90/13/53/802901353.db2.gz GKXPRCQVPCTFLY-AWEZNQCLSA-N 0 3 292.423 2.054 20 30 CEEDHN N#Cc1csc(CN[C@@H]2CC[C@@H]3COCC[C@H]3C2)n1 ZINC000723654620 802917647 /nfs/dbraw/zinc/91/76/47/802917647.db2.gz HXIHAFWBMNDVBH-QJPTWQEYSA-N 0 3 277.393 2.310 20 30 CEEDHN N#Cc1cc(F)cc(CN2CC[C@]3(CCOC3)C2)c1 ZINC000707264397 802920661 /nfs/dbraw/zinc/92/06/61/802920661.db2.gz CESZKAVHCUYLTB-HNNXBMFYSA-N 0 3 260.312 2.310 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N(C)CCNC[C@@H](F)CC ZINC001266827948 802928552 /nfs/dbraw/zinc/92/85/52/802928552.db2.gz HENPPERXDBSTMQ-GXTWGEPZSA-N 0 3 258.381 2.385 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001038222408 802959058 /nfs/dbraw/zinc/95/90/58/802959058.db2.gz YPIMEWFAQQNZBT-WOPDTQHZSA-N 0 3 272.339 2.044 20 30 CEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC=C ZINC001266886576 802970007 /nfs/dbraw/zinc/97/00/07/802970007.db2.gz NTKVXGULUVXWNR-HZPDHXFCSA-N 0 3 274.408 2.431 20 30 CEEDHN C[C@@H](CNC(=O)C#CC1CC1)NCc1ccc(Cl)s1 ZINC001266938190 803011940 /nfs/dbraw/zinc/01/19/40/803011940.db2.gz UJQBBKJHJPBYKK-JTQLQIEISA-N 0 3 296.823 2.409 20 30 CEEDHN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1nccnc1C ZINC001133884382 813169130 /nfs/dbraw/zinc/16/91/30/813169130.db2.gz OOYUHHFXDZFFEF-STQMWFEESA-N 0 3 290.411 2.124 20 30 CEEDHN C#CCN(CC1CC1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC001117692725 814937270 /nfs/dbraw/zinc/93/72/70/814937270.db2.gz JOTYWUPXIUOMDL-HNNXBMFYSA-N 0 3 291.439 2.162 20 30 CEEDHN C=CCCC(=O)NCCN(C)CCc1ccccc1 ZINC001267188000 803208427 /nfs/dbraw/zinc/20/84/27/803208427.db2.gz IIHJUXGHRYZYEK-UHFFFAOYSA-N 0 3 260.381 2.243 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)Cc1ccc(OC)cc1C ZINC001267196785 803220621 /nfs/dbraw/zinc/22/06/21/803220621.db2.gz ALPDAXCRGHIOJW-UHFFFAOYSA-N 0 3 290.407 2.170 20 30 CEEDHN C=CCN(CC)CCNC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC001267254356 803297076 /nfs/dbraw/zinc/29/70/76/803297076.db2.gz MNECMBRDGUQNIM-JKSUJKDBSA-N 0 3 296.455 2.452 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1(F)CCCC1 ZINC001267270813 803316180 /nfs/dbraw/zinc/31/61/80/803316180.db2.gz MLVKVXWQRMFDOX-CYBMUJFWSA-N 0 3 268.376 2.425 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)CC2(C)CCCC2)C1 ZINC001267293386 803337321 /nfs/dbraw/zinc/33/73/21/803337321.db2.gz RQMWGIQIHRBTAP-OAHLLOKOSA-N 0 3 276.424 2.418 20 30 CEEDHN C=C(C)CN(CCNC(=O)c1ccc2[nH]ccc2n1)C1CC1 ZINC001267329651 803373504 /nfs/dbraw/zinc/37/35/04/803373504.db2.gz NDFBVLIENJOULA-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCN(CCNC(=O)[C@H]1C[C@]1(C)C(C)C)C1CC1 ZINC001267335421 803380650 /nfs/dbraw/zinc/38/06/50/803380650.db2.gz UVHBIXASFVNCOS-GDBMZVCRSA-N 0 3 264.413 2.435 20 30 CEEDHN C=CCN(CCNC(=O)c1ccc(COC)cc1)C1CC1 ZINC001267337541 803384061 /nfs/dbraw/zinc/38/40/61/803384061.db2.gz ZNOZVZVJSZBJME-UHFFFAOYSA-N 0 3 288.391 2.213 20 30 CEEDHN C=CCN[C@H](CNC(=O)c1cnoc1CC)c1ccccc1 ZINC001267369686 803419089 /nfs/dbraw/zinc/41/90/89/803419089.db2.gz GQMBBRPPIGUUGE-OAHLLOKOSA-N 0 3 299.374 2.484 20 30 CEEDHN C#CCNCCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001267439889 803466026 /nfs/dbraw/zinc/46/60/26/803466026.db2.gz YJVBETOTQIZGAB-LSDHHAIUSA-N 0 3 290.794 2.125 20 30 CEEDHN CCCN(C(=O)C#CC(C)(C)C)[C@@H]1CCN(CC)C1 ZINC001267458916 803477426 /nfs/dbraw/zinc/47/74/26/803477426.db2.gz FJLDDRZNBICLHY-CQSZACIVSA-N 0 3 264.413 2.369 20 30 CEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1CC1 ZINC001087267616 803488901 /nfs/dbraw/zinc/48/89/01/803488901.db2.gz DNXUPKMLOQRORW-HYVNUMGLSA-N 0 3 288.435 2.415 20 30 CEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)C(C)(F)F)C(C)(C)[C@H]21 ZINC001087270407 803493064 /nfs/dbraw/zinc/49/30/64/803493064.db2.gz ZJJNPZSYWZXGHD-AGIUHOORSA-N 0 3 298.377 2.270 20 30 CEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1=CCCC1 ZINC001087278894 803501637 /nfs/dbraw/zinc/50/16/37/803501637.db2.gz OAFAOHXSZOULSO-OWCLPIDISA-N 0 3 286.419 2.335 20 30 CEEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H](C)OC)c1ccccc1 ZINC001267517547 803521037 /nfs/dbraw/zinc/52/10/37/803521037.db2.gz QHBIJZJIADHPOL-HIFRSBDPSA-N 0 3 276.380 2.045 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001038046400 803554828 /nfs/dbraw/zinc/55/48/28/803554828.db2.gz UNLYQFTVNHQYSK-GJZGRUSLSA-N 0 3 262.397 2.499 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)CCC2CCC2)C1 ZINC001267610735 803614243 /nfs/dbraw/zinc/61/42/43/803614243.db2.gz NTWSHBLPOXCGOL-OAHLLOKOSA-N 0 3 262.397 2.171 20 30 CEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCCO1 ZINC001267701937 803665841 /nfs/dbraw/zinc/66/58/41/803665841.db2.gz BRXLYGWGLFSGMO-HRCADAONSA-N 0 3 292.423 2.197 20 30 CEEDHN COCCCCCN1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267723238 803675976 /nfs/dbraw/zinc/67/59/76/803675976.db2.gz ZUBLAVFVJKLSEX-HNNXBMFYSA-N 0 3 294.439 2.043 20 30 CEEDHN N#CC1(Nc2ccc(CN3CCCC3)cn2)CCOCC1 ZINC001161478673 803722093 /nfs/dbraw/zinc/72/20/93/803722093.db2.gz ACBCZXHHEQMYMC-UHFFFAOYSA-N 0 3 286.379 2.162 20 30 CEEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H](C=C)CC)C1 ZINC001267770579 803722784 /nfs/dbraw/zinc/72/27/84/803722784.db2.gz NTDGPKGTFXZWJY-KBPBESRZSA-N 0 3 250.386 2.307 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)CCC2(C)CC2)C1 ZINC001267775153 803727399 /nfs/dbraw/zinc/72/73/99/803727399.db2.gz OWNCDQUQYSXVDQ-AWEZNQCLSA-N 0 3 262.397 2.123 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)CCC2(C)CC2)C1 ZINC001267775154 803727579 /nfs/dbraw/zinc/72/75/79/803727579.db2.gz OWNCDQUQYSXVDQ-CQSZACIVSA-N 0 3 262.397 2.123 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CNCc2nccs2)C1 ZINC001026994763 803934180 /nfs/dbraw/zinc/93/41/80/803934180.db2.gz XWCFDAYOPJOCJL-GFCCVEGCSA-N 0 3 293.436 2.293 20 30 CEEDHN C[C@@H]1C[C@H]1C(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001026995035 803934759 /nfs/dbraw/zinc/93/47/59/803934759.db2.gz ASLXCZVGBUJJSW-CKEIUWERSA-N 0 3 297.402 2.152 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001038691251 803961126 /nfs/dbraw/zinc/96/11/26/803961126.db2.gz MIUBTABPXAZLLQ-SNVBAGLBSA-N 0 3 298.337 2.118 20 30 CEEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CC)C1 ZINC001087418119 804015747 /nfs/dbraw/zinc/01/57/47/804015747.db2.gz VWVZUPMRKIKWKX-IAGOWNOFSA-N 0 3 284.403 2.394 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC001027281945 804018934 /nfs/dbraw/zinc/01/89/34/804018934.db2.gz CNSCMFMSSIRKDA-INIZCTEOSA-N 0 3 270.376 2.165 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(C)c2F)C1 ZINC001027423268 804067484 /nfs/dbraw/zinc/06/74/84/804067484.db2.gz WIGMWSVADNOWGU-CQSZACIVSA-N 0 3 288.366 2.304 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2sccc2CC)C1 ZINC001027692669 804197079 /nfs/dbraw/zinc/19/70/79/804197079.db2.gz NXAIZNHYIHYMOZ-CQSZACIVSA-N 0 3 290.432 2.480 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3ccsc3C)C2)C1 ZINC001041260132 804279642 /nfs/dbraw/zinc/27/96/42/804279642.db2.gz SCPRJDPMVWUNMJ-MRXNPFEDSA-N 0 3 288.416 2.228 20 30 CEEDHN CN(C)/C=N/c1ccc(NC2(CO)CCCC2)cc1C#N ZINC001167806238 804340386 /nfs/dbraw/zinc/34/03/86/804340386.db2.gz FGDUETNIPRMFCR-LDADJPATSA-N 0 3 286.379 2.497 20 30 CEEDHN C[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccns1 ZINC000715965855 815012443 /nfs/dbraw/zinc/01/24/43/815012443.db2.gz LLNPEQFRZPEXLQ-ZWNOBZJWSA-N 0 3 273.361 2.399 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccn2ccccc12 ZINC001028018686 804396080 /nfs/dbraw/zinc/39/60/80/804396080.db2.gz BVVXJFAGOBFPGU-CQSZACIVSA-N 0 3 283.375 2.320 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001028050717 804413806 /nfs/dbraw/zinc/41/38/06/804413806.db2.gz XWFUKSXMTHZGJN-AWEZNQCLSA-N 0 3 290.411 2.234 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCc2cccnc21 ZINC001028100486 804457342 /nfs/dbraw/zinc/45/73/42/804457342.db2.gz FSBWKWGGMSVNFA-CVEARBPZSA-N 0 3 299.418 2.268 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001028108657 804466591 /nfs/dbraw/zinc/46/65/91/804466591.db2.gz UCWWFQUOHGCZEA-NVXWUHKLSA-N 0 3 284.403 2.483 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001028166851 804509435 /nfs/dbraw/zinc/50/94/35/804509435.db2.gz OONGZVWARDGVHR-CQSZACIVSA-N 0 3 275.396 2.402 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(OC)c1C ZINC001028169352 804510876 /nfs/dbraw/zinc/51/08/76/804510876.db2.gz XNUKCRYTWHUCRZ-CQSZACIVSA-N 0 3 288.391 2.384 20 30 CEEDHN C=CCCC(=O)N1CCC[C@@H](NCc2ncccc2C)C1 ZINC001207635491 804551532 /nfs/dbraw/zinc/55/15/32/804551532.db2.gz KYHVLQDOFQZUGM-OAHLLOKOSA-N 0 3 287.407 2.437 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1cc(COC)cs1 ZINC001268241890 804567595 /nfs/dbraw/zinc/56/75/95/804567595.db2.gz BUGPZEZHOCEVOT-UHFFFAOYSA-N 0 3 282.409 2.084 20 30 CEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1coc(C)c1 ZINC001268358818 804628870 /nfs/dbraw/zinc/62/88/70/804628870.db2.gz YJULTICTROQTPZ-JTQLQIEISA-N 0 3 270.760 2.439 20 30 CEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccn1CC ZINC001268422401 804664309 /nfs/dbraw/zinc/66/43/09/804664309.db2.gz BEWCFXAHZZOQED-LBPRGKRZSA-N 0 3 283.803 2.359 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001028293818 804696400 /nfs/dbraw/zinc/69/64/00/804696400.db2.gz PCVMQVZWXDOGHG-HNNXBMFYSA-N 0 3 288.391 2.466 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001028537025 804833667 /nfs/dbraw/zinc/83/36/67/804833667.db2.gz FZBYJWKFPNFOFN-HZPDHXFCSA-N 0 3 288.435 2.418 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cccc(C)c2F)C1 ZINC001028557716 804836957 /nfs/dbraw/zinc/83/69/57/804836957.db2.gz SDSLVAJJEGAJOU-AWEZNQCLSA-N 0 3 288.366 2.209 20 30 CEEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001161604163 804887278 /nfs/dbraw/zinc/88/72/78/804887278.db2.gz DUGZJKHUXIRWQO-SJORKVTESA-N 0 3 288.435 2.440 20 30 CEEDHN C[C@H](CN(C)C[C@@H]1CCCCO1)NC(=O)C#CC(C)(C)C ZINC001268730082 804947563 /nfs/dbraw/zinc/94/75/63/804947563.db2.gz LRDHDKGUOXPJOF-CABCVRRESA-N 0 3 294.439 2.042 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C#CCCN1CC[C@@](C)(NC(=O)c2coc(C(F)F)c2)C1 ZINC001046580614 807650934 /nfs/dbraw/zinc/65/09/34/807650934.db2.gz ZXANCVLAZAMXKL-OAHLLOKOSA-N 0 3 296.317 2.435 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001046592636 807664271 /nfs/dbraw/zinc/66/42/71/807664271.db2.gz MZVIEWYBWNZNHU-RDJZCZTQSA-N 0 3 270.376 2.093 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)CN1CCO ZINC001099213295 807704871 /nfs/dbraw/zinc/70/48/71/807704871.db2.gz BUICTPPXWXAKDL-YOEHRIQHSA-N 0 3 296.455 2.188 20 30 CEEDHN Cc1ccsc1C(=O)NCCNCc1cccc(C#N)c1 ZINC001122710482 807736366 /nfs/dbraw/zinc/73/63/66/807736366.db2.gz MPVNEXLEOFLTPU-UHFFFAOYSA-N 0 3 299.399 2.448 20 30 CEEDHN C=CCN1CC[C@@]2(CCCN2Cc2ccccc2)C1=O ZINC001272594449 807737866 /nfs/dbraw/zinc/73/78/66/807737866.db2.gz WZSNQLAEFKCWNY-KRWDZBQOSA-N 0 3 270.376 2.440 20 30 CEEDHN C#CC[C@@H](COC)NCc1cnc(N(CC)CC)s1 ZINC000716821402 815152196 /nfs/dbraw/zinc/15/21/96/815152196.db2.gz ORNVWABFENTIFP-LBPRGKRZSA-N 0 3 281.425 2.117 20 30 CEEDHN 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CEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001089639072 808082578 /nfs/dbraw/zinc/08/25/78/808082578.db2.gz MTRNBZMWUBJWCQ-RYUDHWBXSA-N 0 3 286.366 2.434 20 30 CEEDHN C#CCCN1CC(CNC(=O)[C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC001031873465 808181683 /nfs/dbraw/zinc/18/16/83/808181683.db2.gz XTFJFFGQOCVYDI-IAGOWNOFSA-N 0 3 288.435 2.274 20 30 CEEDHN C#CCCN1CC(CNC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001032047791 808261804 /nfs/dbraw/zinc/26/18/04/808261804.db2.gz JQRMPEMXVVWMRW-UHFFFAOYSA-N 0 3 294.398 2.331 20 30 CEEDHN C#CCCN1CC(CNC(=O)c2cccc(C(C)C)c2)C1 ZINC001032103534 808285108 /nfs/dbraw/zinc/28/51/08/808285108.db2.gz YLSIEOADHOYFQM-UHFFFAOYSA-N 0 3 284.403 2.495 20 30 CEEDHN C=C(C)CN1CC(CNC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001032114894 808293408 /nfs/dbraw/zinc/29/34/08/808293408.db2.gz NDNIVEMWLFJGQM-UHFFFAOYSA-N 0 3 290.411 2.079 20 30 CEEDHN C#CCN1CCN([C@@H]2CCc3c(C)cccc3C2)CC1 ZINC001171572727 815199467 /nfs/dbraw/zinc/19/94/67/815199467.db2.gz DPRIDAPPBUSXBU-QGZVFWFLSA-N 0 3 268.404 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C#CCCN1CC[C@H](N(C)C(=O)C2CCC(=C)CC2)C1 ZINC001033388518 809289788 /nfs/dbraw/zinc/28/97/88/809289788.db2.gz CNSAWSKNCHBUKN-INIZCTEOSA-N 0 3 274.408 2.289 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2occc2C)C1 ZINC001033404871 809298067 /nfs/dbraw/zinc/29/80/67/809298067.db2.gz HYOBCXOHIPLNHI-AWEZNQCLSA-N 0 3 276.380 2.239 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001033446836 809305189 /nfs/dbraw/zinc/30/51/89/809305189.db2.gz NRZAUYNFVZOYBC-CYBMUJFWSA-N 0 3 288.395 2.010 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001033455879 809306647 /nfs/dbraw/zinc/30/66/47/809306647.db2.gz OMEZJTQQWMFGEW-MRXNPFEDSA-N 0 3 295.386 2.338 20 30 CEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc(Cl)no2)C1 ZINC001033609868 809360632 /nfs/dbraw/zinc/36/06/32/809360632.db2.gz PHGVVEPJXASETQ-SNVBAGLBSA-N 0 3 283.759 2.050 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c[nH]c3ncccc23)C1 ZINC001033668496 809375443 /nfs/dbraw/zinc/37/54/43/809375443.db2.gz HDFUGOZATURPCE-ZDUSSCGKSA-N 0 3 298.390 2.285 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C2CCC(O)CC2)C1 ZINC001033818696 809427286 /nfs/dbraw/zinc/42/72/86/809427286.db2.gz VATCKOUPHGBJOL-HWOWSKLDSA-N 0 3 294.439 2.036 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001033925105 809451183 /nfs/dbraw/zinc/45/11/83/809451183.db2.gz IFFPNKZTYWSVGI-CABCVRRESA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cocc2C)C1 ZINC001033927664 809451357 /nfs/dbraw/zinc/45/13/57/809451357.db2.gz QQQILQZREQXYJP-AWEZNQCLSA-N 0 3 274.364 2.148 20 30 CEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001034079312 809502656 /nfs/dbraw/zinc/50/26/56/809502656.db2.gz DHEPKTZFAUYGQT-CQSZACIVSA-N 0 3 288.366 2.433 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001034095666 809510911 /nfs/dbraw/zinc/51/09/11/809510911.db2.gz OMXWRMOSNKFSOT-LSDHHAIUSA-N 0 3 262.397 2.499 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC001034109408 809515947 /nfs/dbraw/zinc/51/59/47/809515947.db2.gz 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/nfs/dbraw/zinc/93/39/85/809933985.db2.gz AGVDJFZGDKOAMT-ZJUUUORDSA-N 0 3 250.264 2.189 20 30 CEEDHN CC(=O)N1CC[C@H]2[C@H](CCN2Cc2ccccc2C#N)C1 ZINC001036611050 809966117 /nfs/dbraw/zinc/96/61/17/809966117.db2.gz XZDLPSVFTRTFRV-SJORKVTESA-N 0 3 283.375 2.001 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C)c2)C1 ZINC001079380204 810205627 /nfs/dbraw/zinc/20/56/27/810205627.db2.gz BIYKYUVZHQEJQJ-UKRRQHHQSA-N 0 3 258.365 2.231 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001079552260 810219802 /nfs/dbraw/zinc/21/98/02/810219802.db2.gz VMDBNIUSZKVPQL-IUODEOHRSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)C1 ZINC001079722593 810231296 /nfs/dbraw/zinc/23/12/96/810231296.db2.gz MZTYNDZCHDYUGR-QXSJWSMHSA-N 0 3 294.439 2.060 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001079818650 810233972 /nfs/dbraw/zinc/23/39/72/810233972.db2.gz RNTWYGBNYPTDQA-JHJVBQTASA-N 0 3 286.366 2.434 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001079968960 810242292 /nfs/dbraw/zinc/24/22/92/810242292.db2.gz YGJZUXHDURRBIF-HCEZTOJASA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001080055232 810245320 /nfs/dbraw/zinc/24/53/20/810245320.db2.gz YFMAFVJROYSFNL-CXAGYDPISA-N 0 3 297.402 2.032 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001080077886 810246998 /nfs/dbraw/zinc/24/69/98/810246998.db2.gz WOPZLSREAZTVTD-CZUORRHYSA-N 0 3 288.366 2.208 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001080118633 810248618 /nfs/dbraw/zinc/24/86/18/810248618.db2.gz CWFCVQGONLGMEW-MLGOLLRUSA-N 0 3 298.390 2.189 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=C)C)C[C@H]2C)cc1 ZINC001080244957 810259917 /nfs/dbraw/zinc/25/99/17/810259917.db2.gz SZFZSSZPFCIWQO-RHSMWYFYSA-N 0 3 282.387 2.294 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2cc(COC)cs2)C1 ZINC001015135265 810260508 /nfs/dbraw/zinc/26/05/08/810260508.db2.gz 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C#CCCN1CC[C@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001015872264 810366242 /nfs/dbraw/zinc/36/62/42/810366242.db2.gz FRKPSCIDNQTXTK-AWEZNQCLSA-N 0 3 290.794 2.476 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC001016151477 810403855 /nfs/dbraw/zinc/40/38/55/810403855.db2.gz FHCAZMJYZCSYEB-HNNXBMFYSA-N 0 3 276.355 2.135 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001016316341 810422599 /nfs/dbraw/zinc/42/25/99/810422599.db2.gz MJPUNEDMLWDZSE-KRWDZBQOSA-N 0 3 282.387 2.391 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001016348488 810427388 /nfs/dbraw/zinc/42/73/88/810427388.db2.gz KCTQZDASSXLXAS-CQSZACIVSA-N 0 3 295.386 2.304 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC001016396707 810433898 /nfs/dbraw/zinc/43/38/98/810433898.db2.gz RRMDFCIJCDDPAL-GFCCVEGCSA-N 0 3 291.420 2.401 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)CC2CCC(OC)CC2)C1 ZINC001016416212 810435848 /nfs/dbraw/zinc/43/58/48/810435848.db2.gz LEWJITMXWJZYPB-HWOWSKLDSA-N 0 3 294.439 2.348 20 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/nfs/dbraw/zinc/61/98/29/811619829.db2.gz NLOQOKAEVQILDJ-NEPJUHHUSA-N 0 3 258.793 2.127 20 30 CEEDHN C#Cc1ccc(C(=O)NC2(C)CCN(CC=C)CC2)cc1 ZINC001045520593 811620638 /nfs/dbraw/zinc/62/06/38/811620638.db2.gz KCNDYVGHMBQUSF-UHFFFAOYSA-N 0 3 282.387 2.438 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cccc3[nH]cnc32)CC1 ZINC001045595871 811630589 /nfs/dbraw/zinc/63/05/89/811630589.db2.gz OLKHIQXNBQVQEP-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN CC1(C)CC(=O)C=C(Nc2ccc3c(n2)CNCC3)C1 ZINC001169946832 811722567 /nfs/dbraw/zinc/72/25/67/811722567.db2.gz NKJRRYAYEWOVGP-UHFFFAOYSA-N 0 3 271.364 2.412 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001046581254 811778662 /nfs/dbraw/zinc/77/86/62/811778662.db2.gz HUBDCDMLBCPAMZ-QGZVFWFLSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCCN1CC[C@@](C)(NC(=O)c2ocnc2C(F)F)C1 ZINC001046622474 811787960 /nfs/dbraw/zinc/78/79/60/811787960.db2.gz BVLLEZFPEMUDOW-CQSZACIVSA-N 0 3 299.321 2.383 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001046644994 811790652 /nfs/dbraw/zinc/79/06/52/811790652.db2.gz SAKSONCQPYXEMP-MRXNPFEDSA-N 0 3 288.395 2.057 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(C)cc2F)C1 ZINC001046651382 811792430 /nfs/dbraw/zinc/79/24/30/811792430.db2.gz SPIOWCNRKVWZHI-QGZVFWFLSA-N 0 3 288.366 2.352 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(OC)cc2)C1 ZINC001046792307 811818670 /nfs/dbraw/zinc/81/86/70/811818670.db2.gz SNOKKXSNYYSCGE-QGZVFWFLSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCCN1CCC(F)(F)[C@H](CNC(=O)c2cc[nH]c2)C1 ZINC001046941379 811840702 /nfs/dbraw/zinc/84/07/02/811840702.db2.gz MFQOXHDNWSXEDA-CYBMUJFWSA-N 0 3 297.349 2.278 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCF)C2 ZINC001109612916 811914641 /nfs/dbraw/zinc/91/46/41/811914641.db2.gz ZACLYPOPCJIDCJ-AGIUHOORSA-N 0 3 254.349 2.034 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(F)(F)F)C2 ZINC001109612630 811914954 /nfs/dbraw/zinc/91/49/54/811914954.db2.gz MJHLISAEDOYCDH-WYUUTHIRSA-N 0 3 290.329 2.482 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C/C=C(/C)C=C)C2 ZINC001109617729 811916327 /nfs/dbraw/zinc/91/63/27/811916327.db2.gz WEWVZQPMSXBMIE-RLBRWWAMSA-N 0 3 272.392 2.254 20 30 CEEDHN N#Cc1cc(Cl)cc(-n2nc(CN)c3ccccc32)n1 ZINC001156856149 811931079 /nfs/dbraw/zinc/93/10/79/811931079.db2.gz XSCOAQMQRKGEFE-UHFFFAOYSA-N 0 3 283.722 2.404 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC ZINC001109768112 811941785 /nfs/dbraw/zinc/94/17/85/811941785.db2.gz ZYZBCPHVEGDYAT-AGIUHOORSA-N 0 3 250.386 2.330 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(C)C)C2 ZINC001109894734 811967504 /nfs/dbraw/zinc/96/75/04/811967504.db2.gz RZCFQECIXPIMPS-WCVJEAGWSA-N 0 3 276.424 2.413 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CCOC)C2 ZINC001109915929 811969774 /nfs/dbraw/zinc/96/97/74/811969774.db2.gz HBDARYDHJJKOPJ-ILXRZTDVSA-N 0 3 294.439 2.347 20 30 CEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCOC(C)C)CC1 ZINC001112632722 812024172 /nfs/dbraw/zinc/02/41/72/812024172.db2.gz OPBJPAOOWARAGV-OAHLLOKOSA-N 0 3 282.428 2.300 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(Cl)cs3)C[C@@H]2C1 ZINC001049099014 812071359 /nfs/dbraw/zinc/07/13/59/812071359.db2.gz NCDHHUMVZFQSAR-PHIMTYICSA-N 0 3 294.807 2.039 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](C)C3CCCC3)C[C@@H]2C1 ZINC001049165699 812080293 /nfs/dbraw/zinc/08/02/93/812080293.db2.gz YTGABUQYVOBROK-OIISXLGYSA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@@H]3CCCC[C@@H]3C)C[C@@H]2C1 ZINC001049247054 812091369 /nfs/dbraw/zinc/09/13/69/812091369.db2.gz YKUIRFXKGYALIN-LUKYLMHMSA-N 0 3 288.435 2.226 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C)o1 ZINC001049306037 812112583 /nfs/dbraw/zinc/11/25/83/812112583.db2.gz IFMMGUCRBXLRFB-ZIAGYGMSSA-N 0 3 274.364 2.453 20 30 CEEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)/C=C(/C)C1CC1 ZINC001049338960 812124256 /nfs/dbraw/zinc/12/42/56/812124256.db2.gz LIMAVFXGHFKHRK-UPJGQAATSA-N 0 3 272.392 2.041 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccncc1F ZINC001049399835 812138217 /nfs/dbraw/zinc/13/82/17/812138217.db2.gz ZJNQMNJLSVBHOA-CABCVRRESA-N 0 3 289.354 2.086 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)n1cccc1 ZINC001049420938 812143599 /nfs/dbraw/zinc/14/35/99/812143599.db2.gz AAPAQBMHDYBAEM-OWCLPIDISA-N 0 3 287.407 2.300 20 30 CEEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C=C1CCC1 ZINC001049420070 812143678 /nfs/dbraw/zinc/14/36/78/812143678.db2.gz RMLUHRPSCPZXST-CVEARBPZSA-N 0 3 272.392 2.185 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCOCC1 ZINC001049448071 812147617 /nfs/dbraw/zinc/14/76/17/812147617.db2.gz QZBWNVHPZIHLNZ-ARFHVFGLSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCCCN1CCN(C(=O)c2ccn3cncc3c2)CC1 ZINC001113071059 812158632 /nfs/dbraw/zinc/15/86/32/812158632.db2.gz CNVCWAHZGNSOFE-UHFFFAOYSA-N 0 3 298.390 2.058 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC1(F)F ZINC001049540951 812163290 /nfs/dbraw/zinc/16/32/90/812163290.db2.gz OHPOUBCVFNYAJI-FRRDWIJNSA-N 0 3 284.350 2.283 20 30 CEEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001049611006 812173162 /nfs/dbraw/zinc/17/31/62/812173162.db2.gz NLHPYOAVBYMYJK-NXOAAHMSSA-N 0 3 286.419 2.121 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(CF)CCC1 ZINC001049740378 812202913 /nfs/dbraw/zinc/20/29/13/812202913.db2.gz KWWOTJUOGSTCDY-KBPBESRZSA-N 0 3 280.387 2.378 20 30 CEEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1nocc1C ZINC001049832843 812216692 /nfs/dbraw/zinc/21/66/92/812216692.db2.gz ZAHWKIRPVMYKLX-ZIAGYGMSSA-N 0 3 289.379 2.238 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H](C)CC)[C@@H]2C1 ZINC001049979623 812247575 /nfs/dbraw/zinc/24/75/75/812247575.db2.gz QQXXYNIQKHTUGF-HZSPNIEDSA-N 0 3 250.386 2.141 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1O)C2 ZINC001096817149 812284257 /nfs/dbraw/zinc/28/42/57/812284257.db2.gz FAQIHTUOUPCXPI-YUELXQCFSA-N 0 3 286.375 2.303 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1ncoc1C1CC1 ZINC001170172541 812333642 /nfs/dbraw/zinc/33/36/42/812333642.db2.gz XAJRVJFRPDIWJS-UHFFFAOYSA-N 0 3 283.759 2.014 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)nc(C)c1)C2 ZINC001097144001 812336859 /nfs/dbraw/zinc/33/68/59/812336859.db2.gz DAGVPFVZECKFCC-ZACQAIPSSA-N 0 3 297.402 2.057 20 30 CEEDHN CN1CC(CNc2ncc(C#N)c3ccsc32)C1 ZINC001170252777 812371146 /nfs/dbraw/zinc/37/11/46/812371146.db2.gz CHPAAUWQPYOICE-UHFFFAOYSA-N 0 3 258.350 2.141 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NC1(COC)CCCCC1 ZINC001263162682 812371314 /nfs/dbraw/zinc/37/13/14/812371314.db2.gz RQROSXUMIYSWDS-CYBMUJFWSA-N 0 3 268.401 2.136 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CN(CC=C(C)C)CCCO1 ZINC001150084748 815526195 /nfs/dbraw/zinc/52/61/95/815526195.db2.gz GPFVFIPVSLPGDW-OAHLLOKOSA-N 0 3 294.439 2.372 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)C=CCC1)C2 ZINC001097663983 812392023 /nfs/dbraw/zinc/39/20/23/812392023.db2.gz CHXYSAWUAYTHMC-PNBKFKSVSA-N 0 3 272.392 2.088 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC1(C)C)C2 ZINC001097680109 812398773 /nfs/dbraw/zinc/39/87/73/812398773.db2.gz CNRIZKXARKFNDT-BARDWOONSA-N 0 3 274.408 2.167 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(C)c1)C2 ZINC001097767024 812429025 /nfs/dbraw/zinc/42/90/25/812429025.db2.gz WUXDURNUBOLJLH-KURKYZTESA-N 0 3 296.414 2.282 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)Cc2cccc(C)c2)CC1 ZINC001052674490 812444591 /nfs/dbraw/zinc/44/45/91/812444591.db2.gz NUZFLOXFUFLIQA-KRWDZBQOSA-N 0 3 284.403 2.141 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc[nH]c2C2CCC2)CC1 ZINC001052712032 812449682 /nfs/dbraw/zinc/44/96/82/812449682.db2.gz DECGAUWVMOALAE-OAHLLOKOSA-N 0 3 299.418 2.500 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001052726240 812451919 /nfs/dbraw/zinc/45/19/19/812451919.db2.gz HQPLKXQYGOWMLZ-RBSFLKMASA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H](F)c2ccccc2)CC1 ZINC001052752724 812456298 /nfs/dbraw/zinc/45/62/98/812456298.db2.gz XJFWIJRJDICXEW-HOTGVXAUSA-N 0 3 288.366 2.301 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)c2c[nH]cc2C2CC2)CC1 ZINC001052832163 812464690 /nfs/dbraw/zinc/46/46/90/812464690.db2.gz SMINBLLBBYRBGO-OAHLLOKOSA-N 0 3 299.418 2.500 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)CC1 ZINC001052844896 812465899 /nfs/dbraw/zinc/46/58/99/812465899.db2.gz RXXAVKZWYFDUKO-OAHLLOKOSA-N 0 3 299.418 2.111 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCO[C@@H](C)CC(C)C ZINC001114262363 812488327 /nfs/dbraw/zinc/48/83/27/812488327.db2.gz CFOYGJVUWWIJDX-LJIGWXMPSA-N 0 3 294.439 2.060 20 30 CEEDHN Cc1ccc2c(c1)C[C@H](N1CCN(CCC#N)CC1)CC2 ZINC001172830076 815529529 /nfs/dbraw/zinc/52/95/29/815529529.db2.gz FNVUMSXUVTYMTE-GOSISDBHSA-N 0 3 283.419 2.384 20 30 CEEDHN C#C[C@](C)(CC)NC[C@](O)(CCCCCC)C(=O)OC ZINC001170450660 812495845 /nfs/dbraw/zinc/49/58/45/812495845.db2.gz CZTXJKMYUYWYMT-HZPDHXFCSA-N 0 3 283.412 2.252 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](F)CC)C2 ZINC001054177407 812544781 /nfs/dbraw/zinc/54/47/81/812544781.db2.gz LKMKCHZFESKIHK-HOCLYGCPSA-N 0 3 280.387 2.072 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C1CC3(CC3)C1)C2 ZINC001054195335 812547291 /nfs/dbraw/zinc/54/72/91/812547291.db2.gz JOKHJAFZGLVSOF-SFHVURJKSA-N 0 3 286.419 2.124 20 30 CEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](C)CC)C1 ZINC001130347929 812560845 /nfs/dbraw/zinc/56/08/45/812560845.db2.gz CMZOKDAVCXYTDO-OLZOCXBDSA-N 0 3 290.411 2.047 20 30 CEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H](C)[C@H](NCCF)C1 ZINC001054683036 812639445 /nfs/dbraw/zinc/63/94/45/812639445.db2.gz ZGURKHOSRKZTNF-GXSJLCMTSA-N 0 3 276.783 2.171 20 30 CEEDHN COC(=O)[C@@H]1CC[C@H](N(CCC#N)C2CCCC2)C1 ZINC001170549742 812654176 /nfs/dbraw/zinc/65/41/76/812654176.db2.gz KKRDOEWVWAEXGG-OCCSQVGLSA-N 0 3 264.369 2.486 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001131731773 812712230 /nfs/dbraw/zinc/71/22/30/812712230.db2.gz IOAZTXIAOSJNNB-JKSUJKDBSA-N 0 3 288.366 2.048 20 30 CEEDHN C=CCCC(=O)N[C@H]1CC[C@H](C)N(CCOC2CCC2)C1 ZINC001131895304 812754241 /nfs/dbraw/zinc/75/42/41/812754241.db2.gz IKJHDCRHRUQOIF-GJZGRUSLSA-N 0 3 294.439 2.491 20 30 CEEDHN C=CCOCCN1C[C@H](NC(=O)/C(C)=C/C)CC[C@H]1C ZINC001131987988 812766908 /nfs/dbraw/zinc/76/69/08/812766908.db2.gz IKXGDCBYOZWTKV-KUYFCZACSA-N 0 3 280.412 2.124 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)CC2(OC)CCC2)CC[C@H]1C ZINC001131995201 812769757 /nfs/dbraw/zinc/76/97/57/812769757.db2.gz IEHJRBVXRJPWDQ-CABCVRRESA-N 0 3 294.439 2.491 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132017230 812776738 /nfs/dbraw/zinc/77/67/38/812776738.db2.gz NDAMBXKDMVZHCY-GJZGRUSLSA-N 0 3 262.397 2.191 20 30 CEEDHN CC(C)=CCN1C[C@@H](NC(=O)C#CC2CC2)CC[C@@H]1C ZINC001132034468 812778122 /nfs/dbraw/zinc/77/81/22/812778122.db2.gz RMGMQAPFLACMEZ-HOCLYGCPSA-N 0 3 274.408 2.335 20 30 CEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CCC3(C)C)[C@@H]2C1 ZINC001050118926 812785243 /nfs/dbraw/zinc/78/52/43/812785243.db2.gz FZDNZTRGZLILEL-HRCADAONSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)CCc2ccncc2)CC[C@H]1C ZINC001132150429 812792617 /nfs/dbraw/zinc/79/26/17/812792617.db2.gz RJHYGAMYXSDSJS-ZBFHGGJFSA-N 0 3 287.407 2.169 20 30 CEEDHN C=CCCCC(=O)N[C@@H]1CC[C@@H](C)N(CCOCC)C1 ZINC001132249846 812811125 /nfs/dbraw/zinc/81/11/25/812811125.db2.gz TWKWOFNLSOTNIO-HUUCEWRRSA-N 0 3 282.428 2.348 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)CC)CC[C@H]1C ZINC001132257319 812812357 /nfs/dbraw/zinc/81/23/57/812812357.db2.gz VHUAFVYEYMOTEY-ZIAGYGMSSA-N 0 3 264.413 2.415 20 30 CEEDHN C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)N(CCOC)C1 ZINC001132240896 812813763 /nfs/dbraw/zinc/81/37/63/812813763.db2.gz OMTUGMIIIIDIMX-CVEARBPZSA-N 0 3 294.439 2.186 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)CCn2cccc2)CC[C@@H]1C ZINC001132388075 812836709 /nfs/dbraw/zinc/83/67/09/812836709.db2.gz FSSQVCAHBOLEAY-GJZGRUSLSA-N 0 3 275.396 2.033 20 30 CEEDHN C=CC(C)(C)C(=O)NCCNCc1ccnc(Cl)c1 ZINC001132401983 812840407 /nfs/dbraw/zinc/84/04/07/812840407.db2.gz IDMKYCVPNVECQQ-UHFFFAOYSA-N 0 3 281.787 2.153 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@@H]3CCC[C@H]3CC)C2)CC1 ZINC001050651213 812847875 /nfs/dbraw/zinc/84/78/75/812847875.db2.gz JTQPGACWROZXFA-HZPDHXFCSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@@H]3CCC(C)(C)C3)C2)CC1 ZINC001050656815 812848802 /nfs/dbraw/zinc/84/88/02/812848802.db2.gz MCBHDYWZORLVBB-OAHLLOKOSA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001132652982 812918816 /nfs/dbraw/zinc/91/88/16/812918816.db2.gz BCBBDHUTMVJLMA-GFCCVEGCSA-N 0 3 291.420 2.428 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H]2CC=CCC2)CC1 ZINC001052197366 812944736 /nfs/dbraw/zinc/94/47/36/812944736.db2.gz MSVJUUCXLHOYRR-CVEARBPZSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)C2=CCCCCC2)CC1 ZINC001052336140 812977542 /nfs/dbraw/zinc/97/75/42/812977542.db2.gz KRGZDRSWZDDRHP-MRXNPFEDSA-N 0 3 274.408 2.481 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)C2(C)CCCC2)CC1 ZINC001052602746 813011660 /nfs/dbraw/zinc/01/16/60/813011660.db2.gz MJJBCQSTPHUGND-CQSZACIVSA-N 0 3 262.397 2.171 20 30 CEEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1nccc(C#N)n1 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C#Cc1ccc(CN2CC(N3CCCCC3)C2)cc1 ZINC001144576140 814119757 /nfs/dbraw/zinc/11/97/57/814119757.db2.gz CAALQSCACRBZGV-UHFFFAOYSA-N 0 3 254.377 2.338 20 30 CEEDHN C#Cc1ccc(CN2CCC(n3cnnc3)CC2)cc1 ZINC001144576133 814120377 /nfs/dbraw/zinc/12/03/77/814120377.db2.gz BTFBFWBMESSBSI-UHFFFAOYSA-N 0 3 266.348 2.097 20 30 CEEDHN CCNC(=O)[C@@H]1CCCN1[C@H](C)Cc1cccc(C#N)c1 ZINC001171230123 814203104 /nfs/dbraw/zinc/20/31/04/814203104.db2.gz AUFYDINYKXLPRD-CJNGLKHVSA-N 0 3 285.391 2.090 20 30 CEEDHN CC#CCNCCNC(=O)C1(C2CCCCC2)CC1 ZINC001149149723 814224313 /nfs/dbraw/zinc/22/43/13/814224313.db2.gz KCFBJXLGWJIUAM-UHFFFAOYSA-N 0 3 262.397 2.076 20 30 CEEDHN CCC(=O)N1C[C@H]2CN(Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001091408739 814230698 /nfs/dbraw/zinc/23/06/98/814230698.db2.gz GQKSUEPUIPUNCM-AEFFLSMTSA-N 0 3 297.402 2.249 20 30 CEEDHN C=C/C(C)=C\CC(=O)N1C[C@H]2CN(CC#CC)C[C@@]2(C)C1 ZINC001101330443 814248596 /nfs/dbraw/zinc/24/85/96/814248596.db2.gz LVPVLGYKXHZDQD-DKSWFMATSA-N 0 3 286.419 2.312 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C3(CCC)CC3)C[C@]2(C)C1 ZINC001101360789 814250856 /nfs/dbraw/zinc/25/08/56/814250856.db2.gz JZMSBVHNYXUAFE-WBVHZDCISA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)CC[C@H](C)CC)C[C@]2(C)C1 ZINC001101403490 814256319 /nfs/dbraw/zinc/25/63/19/814256319.db2.gz JRHPPNURDLTTFX-INMHGKMJSA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)CC(C)C)C[C@]2(C)C1 ZINC001101426342 814258703 /nfs/dbraw/zinc/25/87/03/814258703.db2.gz AVRSHEBWUQLDKJ-JZXOWHBKSA-N 0 3 290.451 2.472 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)CCCCC)C2)C1 ZINC001147010169 814368921 /nfs/dbraw/zinc/36/89/21/814368921.db2.gz VHEDVQPAKWJWNT-UHFFFAOYSA-N 0 3 250.386 2.287 20 30 CEEDHN C=C(C)CCC(=O)NCC[C@@H]1CN(CCF)C[C@H]1C ZINC001103040127 814464551 /nfs/dbraw/zinc/46/45/51/814464551.db2.gz HMUNEOFFTAGUHY-ZIAGYGMSSA-N 0 3 270.392 2.386 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)CCC3(C)CC3)C2)C1 ZINC001148543292 814581403 /nfs/dbraw/zinc/58/14/03/814581403.db2.gz YSQKOMWWEDCISO-UHFFFAOYSA-N 0 3 262.397 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CC(C)N1CCCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000075693806 343863052 /nfs/dbraw/zinc/86/30/52/343863052.db2.gz OHMOTBKVTPDENV-UHFFFAOYSA-N 0 3 299.418 2.434 20 30 CEEDHN Cc1nnc(N2CCC[C@H](N3CCCC3)C2)c(C#N)c1C ZINC000076836039 343899659 /nfs/dbraw/zinc/89/96/59/343899659.db2.gz NEMQGIULDCQUKB-AWEZNQCLSA-N 0 3 285.395 2.030 20 30 CEEDHN C=CCc1cc(CN(C)CCOC)cc(OC)c1O ZINC000127126685 187284441 /nfs/dbraw/zinc/28/44/41/187284441.db2.gz GWVJFTRPIYIIDD-UHFFFAOYSA-N 0 3 265.353 2.208 20 30 CEEDHN CCC(C#N)(CC)C(=O)NCCCNCc1cccnc1 ZINC000602423059 347026684 /nfs/dbraw/zinc/02/66/84/347026684.db2.gz CBMCWJHZZCLCTQ-UHFFFAOYSA-N 0 3 288.395 2.007 20 30 CEEDHN C#CCN1CCC(C(=O)NCC2(CC)CCC2)CC1 ZINC000084256843 344082853 /nfs/dbraw/zinc/08/28/53/344082853.db2.gz QFGJQKRDPRUARN-UHFFFAOYSA-N 0 3 262.397 2.028 20 30 CEEDHN C=CCCC[C@H](C)N1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC000091507009 344165789 /nfs/dbraw/zinc/16/57/89/344165789.db2.gz JAIKWCGUNQDTBH-HOTGVXAUSA-N 0 3 295.471 2.264 20 30 CEEDHN 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C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CCCCCC#N ZINC000588645992 345049178 /nfs/dbraw/zinc/04/91/78/345049178.db2.gz RVWBYLGVZCMCEW-TZMCWYRMSA-N 0 3 263.385 2.059 20 30 CEEDHN Cc1cc(C#N)ccc1CN1C[C@H](N2CCOCC2)C[C@H]1C ZINC000586779358 345020978 /nfs/dbraw/zinc/02/09/78/345020978.db2.gz KQGOVHPKKSHBKA-CRAIPNDOSA-N 0 3 299.418 2.162 20 30 CEEDHN CC(C#N)C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000587820888 345030950 /nfs/dbraw/zinc/03/09/50/345030950.db2.gz GAODWKSOSDMUER-OJLVUWQFSA-N 0 3 284.359 2.177 20 30 CEEDHN Cc1ccc(C#N)c(N[C@@H]2CCN(CC3CC3)C2)n1 ZINC000587973729 345031644 /nfs/dbraw/zinc/03/16/44/345031644.db2.gz ZBWDCUZYGBJGIR-CQSZACIVSA-N 0 3 256.353 2.158 20 30 CEEDHN CC(C)C[C@@H](CO)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000589206465 345071583 /nfs/dbraw/zinc/07/15/83/345071583.db2.gz NCVBTCPZULBGDL-AWEZNQCLSA-N 0 3 286.379 2.045 20 30 CEEDHN N#Cc1csc(CN[C@H]2CCc3cc(O)ccc3C2)n1 ZINC000589317391 345077347 /nfs/dbraw/zinc/07/73/47/345077347.db2.gz GIBGUKXABVPLGK-LBPRGKRZSA-N 0 3 285.372 2.367 20 30 CEEDHN CC[C@H](C)N1CCN(CCOc2ccccc2C#N)CC1 ZINC000055066458 362543007 /nfs/dbraw/zinc/54/30/07/362543007.db2.gz PESFIAVAAXBKPB-HNNXBMFYSA-N 0 3 287.407 2.353 20 30 CEEDHN CC(C)(C)CCN1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590169973 345119467 /nfs/dbraw/zinc/11/94/67/345119467.db2.gz NWJYCHNWWMBTIT-UHFFFAOYSA-N 0 3 277.412 2.261 20 30 CEEDHN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C[C@H](C)CCC#N ZINC000589823173 345099956 /nfs/dbraw/zinc/09/99/56/345099956.db2.gz ZYELEWIPOWAUHD-SYQHCUMBSA-N 0 3 264.369 2.200 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC1COCCOC1 ZINC000589949604 345105871 /nfs/dbraw/zinc/10/58/71/345105871.db2.gz CYKGPTXWFXIQBL-KRWDZBQOSA-N 0 3 286.375 2.331 20 30 CEEDHN CN1CC[C@]2(CCN(C(=O)CCCCCC#N)C2)C1 ZINC000590014384 345110109 /nfs/dbraw/zinc/11/01/09/345110109.db2.gz NSVOSKJRQRRKTE-HNNXBMFYSA-N 0 3 263.385 2.015 20 30 CEEDHN C[C@@H]1[C@H](O)CCN1Cc1ccccc1C(C)(C)C#N ZINC000590762454 345176896 /nfs/dbraw/zinc/17/68/96/345176896.db2.gz XFJONRMNKIPIMF-IUODEOHRSA-N 0 3 258.365 2.443 20 30 CEEDHN CN(C(=O)CC1(C#N)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000590304025 345126243 /nfs/dbraw/zinc/12/62/43/345126243.db2.gz ILQQIHCRYIKKRP-MRXNPFEDSA-N 0 3 297.402 2.413 20 30 CEEDHN N#Cc1cnccc1CN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000592084921 345320703 /nfs/dbraw/zinc/32/07/03/345320703.db2.gz WRTLZEQFAPPPQN-QAPCUYQASA-N 0 3 296.418 2.402 20 30 CEEDHN N#Cc1ccc(CNC[C@H](CO)Cc2ccco2)cc1F ZINC000591501522 345261581 /nfs/dbraw/zinc/26/15/81/345261581.db2.gz JLOAPYWNLBJBGE-CYBMUJFWSA-N 0 3 288.322 2.231 20 30 CEEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(-n2cnnn2)c1 ZINC000591659747 345272448 /nfs/dbraw/zinc/27/24/48/345272448.db2.gz YFIPFSAFHSYPFZ-MBNYWOFBSA-N 0 3 282.351 2.005 20 30 CEEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC[C@@H](O)CC(F)(F)F ZINC000591764781 345278161 /nfs/dbraw/zinc/27/81/61/345278161.db2.gz JPPUYTNIQKWVEE-AAEUAGOBSA-N 0 3 284.281 2.448 20 30 CEEDHN COCCC1CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000591784892 345280291 /nfs/dbraw/zinc/28/02/91/345280291.db2.gz WZHXJWDLTYHLFG-MRXNPFEDSA-N 0 3 286.375 2.254 20 30 CEEDHN CCCNc1ccc(CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000592272939 345341650 /nfs/dbraw/zinc/34/16/50/345341650.db2.gz DHWFTZHREIKAAW-OAHLLOKOSA-N 0 3 288.395 2.146 20 30 CEEDHN N#Cc1cnccc1CN1CCNCc2ccccc21 ZINC000592472009 345358168 /nfs/dbraw/zinc/35/81/68/345358168.db2.gz DBCXGIGVJOANMI-UHFFFAOYSA-N 0 3 264.332 2.063 20 30 CEEDHN N#CC[C@@]1(O)CCN(Cc2ccc3c(c2)CCCC3)C1 ZINC000592524535 345366197 /nfs/dbraw/zinc/36/61/97/345366197.db2.gz FXTBWVAUVUZLLA-QGZVFWFLSA-N 0 3 270.376 2.416 20 30 CEEDHN N#Cc1cnccc1CN1CCC[C@H]1[C@H]1CCCOC1 ZINC000592134951 345327674 /nfs/dbraw/zinc/32/76/74/345327674.db2.gz WBWDGYYEDAZKPY-HOCLYGCPSA-N 0 3 271.364 2.344 20 30 CEEDHN Cc1ccc(OCCCN2CC[C@](O)(CC#N)C2)cc1C ZINC000592148322 345329815 /nfs/dbraw/zinc/32/98/15/345329815.db2.gz XNFLFDHOFFAAQL-QGZVFWFLSA-N 0 3 288.391 2.423 20 30 CEEDHN C[C@H](CCN1CC[C@@](O)(CC#N)C1)OCc1ccccc1 ZINC000592153059 345331451 /nfs/dbraw/zinc/33/14/51/345331451.db2.gz INLWAEAZLLAYAU-WBVHZDCISA-N 0 3 288.391 2.332 20 30 CEEDHN N#Cc1ccc(NC(=O)CNC2(C3CCC3)CC2)cc1 ZINC000593081885 345435473 /nfs/dbraw/zinc/43/54/73/345435473.db2.gz SYNXOZXEQTYFRQ-UHFFFAOYSA-N 0 3 269.348 2.419 20 30 CEEDHN CCC(C#N)C(=O)NC1(C(=O)OC(C)(C)C)CCCC1 ZINC000593482873 345495349 /nfs/dbraw/zinc/49/53/49/345495349.db2.gz UDVLWCJYBOGZCT-NSHDSACASA-N 0 3 280.368 2.307 20 30 CEEDHN CC[C@H](C#N)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000593495305 345498324 /nfs/dbraw/zinc/49/83/24/345498324.db2.gz WQYNMQNRBRYUEG-CVEARBPZSA-N 0 3 285.391 2.269 20 30 CEEDHN CC[C@H](C#N)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000593512390 345501627 /nfs/dbraw/zinc/50/16/27/345501627.db2.gz VQTPVHXIAVESTG-GFCCVEGCSA-N 0 3 279.409 2.188 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)N2Cc3cccc(C#N)c3C2)CCN1C ZINC000593358184 345470517 /nfs/dbraw/zinc/47/05/17/345470517.db2.gz HVPIUXGLIJZILA-IUODEOHRSA-N 0 3 298.390 2.066 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)NCC2(C#N)CCCC2)CCN1C ZINC000593427483 345483669 /nfs/dbraw/zinc/48/36/69/345483669.db2.gz RUDHHGJXNWYDMW-KBPBESRZSA-N 0 3 292.427 2.194 20 30 CEEDHN CCC(C#N)C(=O)N1[C@@H](C)CC[C@H]1C(=O)OC(C)(C)C ZINC000593766961 345534256 /nfs/dbraw/zinc/53/42/56/345534256.db2.gz HJYFTCYTFWQRRC-TUAOUCFPSA-N 0 3 280.368 2.257 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)CCCCCC#N ZINC000593882331 345547604 /nfs/dbraw/zinc/54/76/04/345547604.db2.gz HWBAMNXWXVHFNP-UHFFFAOYSA-N 0 3 265.401 2.405 20 30 CEEDHN CC[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1F ZINC000593917014 345551861 /nfs/dbraw/zinc/55/18/61/345551861.db2.gz UDJDUGYKECSBJZ-KGLIPLIRSA-N 0 3 277.343 2.414 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](C(=O)OC)c1ccc(F)c(C)c1 ZINC000593613858 345513122 /nfs/dbraw/zinc/51/31/22/345513122.db2.gz VIQZJAKCPQQVIP-ZWNOBZJWSA-N 0 3 292.310 2.014 20 30 CEEDHN CCN(CCNC(=O)[C@@H](C)Cc1ccc(C#N)cc1)C1CC1 ZINC000594275590 345607786 /nfs/dbraw/zinc/60/77/86/345607786.db2.gz AVUOQVAHOWGMTC-AWEZNQCLSA-N 0 3 299.418 2.337 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594282927 345608653 /nfs/dbraw/zinc/60/86/53/345608653.db2.gz CCLXPVHWODWVJS-UONOGXRCSA-N 0 3 292.427 2.194 20 30 CEEDHN CC(C#N)C(=O)N1CCC(c2ccc3cccnc3n2)CC1 ZINC000594397432 345620674 /nfs/dbraw/zinc/62/06/74/345620674.db2.gz HZPJGFZABSAKLJ-GFCCVEGCSA-N 0 3 294.358 2.495 20 30 CEEDHN COCC1(CNC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000594400606 345621344 /nfs/dbraw/zinc/62/13/44/345621344.db2.gz ZUTABKFTQBTGCD-OAHLLOKOSA-N 0 3 286.375 2.302 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000594426184 345625911 /nfs/dbraw/zinc/62/59/11/345625911.db2.gz NUDRBJCQSLJRAS-AWEZNQCLSA-N 0 3 286.379 2.394 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000594427439 345626550 /nfs/dbraw/zinc/62/65/50/345626550.db2.gz UPESUMIGOAZRMJ-RDVIWEACSA-N 0 3 289.423 2.483 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCc2sccc2C1 ZINC000594427170 345626717 /nfs/dbraw/zinc/62/67/17/345626717.db2.gz GKFBGISVSBZTBL-LBPRGKRZSA-N 0 3 277.393 2.044 20 30 CEEDHN N#Cc1cnc(N[C@@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000132824399 232212110 /nfs/dbraw/zinc/21/21/10/232212110.db2.gz BSGGMAXSQIAJLC-OAHLLOKOSA-N 0 3 293.374 2.425 20 30 CEEDHN COc1ccc(C)cc1NC(=O)[C@H](N)CCCCC#N ZINC000594427909 345627043 /nfs/dbraw/zinc/62/70/43/345627043.db2.gz XJUGOXHSDVJZCZ-GFCCVEGCSA-N 0 3 275.352 2.353 20 30 CEEDHN CC(C)CN(C(=O)[C@@H](N)CCCCC#N)C1CC1 ZINC000594428245 345627157 /nfs/dbraw/zinc/62/71/57/345627157.db2.gz KVNDJYUALNVLMO-ZDUSSCGKSA-N 0 3 251.374 2.045 20 30 CEEDHN CCCCN(C(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000594428058 345627191 /nfs/dbraw/zinc/62/71/91/345627191.db2.gz JJKHKROCIOHRMP-CYBMUJFWSA-N 0 3 251.374 2.189 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000594428879 345627458 /nfs/dbraw/zinc/62/74/58/345627458.db2.gz PQFQIYHURSLIMY-HZPDHXFCSA-N 0 3 285.391 2.414 20 30 CEEDHN C[C@H](Cc1ccccc1F)NC(=O)[C@@H](N)CCCCC#N ZINC000594429424 345627895 /nfs/dbraw/zinc/62/78/95/345627895.db2.gz UBPHUYZIBSHTSD-DOMZBBRYSA-N 0 3 291.370 2.284 20 30 CEEDHN C[C@H](Cc1cccs1)NC(=O)[C@H](N)CCCCC#N ZINC000594430143 345627914 /nfs/dbraw/zinc/62/79/14/345627914.db2.gz ZGKOGYNDLLJZAW-DGCLKSJQSA-N 0 3 279.409 2.207 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000594429901 345628014 /nfs/dbraw/zinc/62/80/14/345628014.db2.gz SKFFBAKGKQZMQH-NSHDSACASA-N 0 3 285.269 2.454 20 30 CEEDHN CCN(C(=O)[C@H](N)CCCCC#N)c1cccc(OC)c1 ZINC000594429665 345628041 /nfs/dbraw/zinc/62/80/41/345628041.db2.gz VHCLHEVNTQFPTH-OAHLLOKOSA-N 0 3 289.379 2.459 20 30 CEEDHN C[C@@H]1CCC[C@H](CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594431213 345628319 /nfs/dbraw/zinc/62/83/19/345628319.db2.gz JSAYFOFQVNNYAQ-RDBSUJKOSA-N 0 3 265.401 2.340 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCc1cc(F)cc(F)c1 ZINC000594431398 345628590 /nfs/dbraw/zinc/62/85/90/345628590.db2.gz LVJKWERBWJVIID-AWEZNQCLSA-N 0 3 295.333 2.035 20 30 CEEDHN C[C@@H]1CCCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594434090 345629055 /nfs/dbraw/zinc/62/90/55/345629055.db2.gz KNRRYYNJZYQYKD-CHWSQXEVSA-N 0 3 251.374 2.189 20 30 CEEDHN CC(C)(C)CCCNC(=O)[C@@H](N)CCCCC#N ZINC000594434207 345629141 /nfs/dbraw/zinc/62/91/41/345629141.db2.gz XUAYHDXANIBJLQ-LBPRGKRZSA-N 0 3 253.390 2.340 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCc1cccc(F)c1F ZINC000594434200 345629408 /nfs/dbraw/zinc/62/94/08/345629408.db2.gz LIUVJVXYGDHWCQ-CYBMUJFWSA-N 0 3 295.333 2.035 20 30 CEEDHN CCC(CC)(CC)NC(=O)[C@@H](N)CCCCC#N ZINC000594434407 345629915 /nfs/dbraw/zinc/62/99/15/345629915.db2.gz ZBGCFONWQWAHAK-LBPRGKRZSA-N 0 3 253.390 2.483 20 30 CEEDHN Cc1csc([C@@H](C)CNC(=O)[C@H](N)CCCCC#N)n1 ZINC000594437553 345630792 /nfs/dbraw/zinc/63/07/92/345630792.db2.gz OOAWKQXJVQAVQY-CMPLNLGQSA-N 0 3 294.424 2.083 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000594438124 345630804 /nfs/dbraw/zinc/63/08/04/345630804.db2.gz GWNJWELBHONIJR-HUUCEWRRSA-N 0 3 286.379 2.156 20 30 CEEDHN CCC1(C)CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594440377 345631146 /nfs/dbraw/zinc/63/11/46/345631146.db2.gz YMKPOXSWVZTJRS-ZDUSSCGKSA-N 0 3 265.401 2.436 20 30 CEEDHN C[C@@H]1CC[C@]2(CCN(C(=O)[C@@H](N)CCCCC#N)C2)C1 ZINC000594443568 345631901 /nfs/dbraw/zinc/63/19/01/345631901.db2.gz ROFUYAFEFLXYKL-YCPHGPKFSA-N 0 3 277.412 2.436 20 30 CEEDHN CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1c(C)noc1C ZINC000594442730 345632100 /nfs/dbraw/zinc/63/21/00/345632100.db2.gz INMMJJNHFJTOTO-QWHCGFSZSA-N 0 3 292.383 2.270 20 30 CEEDHN Cc1cnc([C@H](C)CNC(=O)[C@H](N)CCCCC#N)s1 ZINC000594447554 345632644 /nfs/dbraw/zinc/63/26/44/345632644.db2.gz YOXHDOXTXBGWEL-ZYHUDNBSSA-N 0 3 294.424 2.083 20 30 CEEDHN CC[C@@H]1CCCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594447884 345633453 /nfs/dbraw/zinc/63/34/53/345633453.db2.gz WXOWTNYKFYCDFX-ZIAGYGMSSA-N 0 3 265.401 2.436 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000594449305 345633682 /nfs/dbraw/zinc/63/36/82/345633682.db2.gz FXWLIEZIOXPZEA-JYJNAYRXSA-N 0 3 285.391 2.318 20 30 CEEDHN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594452802 345635083 /nfs/dbraw/zinc/63/50/83/345635083.db2.gz JJGQFVCDSNVDNO-YNEHKIRRSA-N 0 3 265.401 2.339 20 30 CEEDHN N#Cc1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)cn1 ZINC000594601832 345657560 /nfs/dbraw/zinc/65/75/60/345657560.db2.gz OVGRCEMKWHNTIY-CABCVRRESA-N 0 3 256.353 2.382 20 30 CEEDHN Cc1nc(N[C@H]2CCCN3CCCC[C@@H]23)ccc1C#N ZINC000594604401 345658487 /nfs/dbraw/zinc/65/84/87/345658487.db2.gz YYCJFZBTKRJDDR-GJZGRUSLSA-N 0 3 270.380 2.112 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCc3ccccc3NC2=O)C1 ZINC000594507308 345640068 /nfs/dbraw/zinc/64/00/68/345640068.db2.gz CVEOZTWCWVACOX-KYOSRNDESA-N 0 3 269.348 2.222 20 30 CEEDHN CC(C)(NCc1ccc(N)nc1)c1cccc(C#N)c1 ZINC000594735706 345681956 /nfs/dbraw/zinc/68/19/56/345681956.db2.gz NHFIKBWRPZTGMH-UHFFFAOYSA-N 0 3 266.348 2.391 20 30 CEEDHN N#CCC[C@H](N[C@@H]1CCCNC(=O)C1)c1ccccc1 ZINC000602579558 347087170 /nfs/dbraw/zinc/08/71/70/347087170.db2.gz ALFVEENDCSILKH-CABCVRRESA-N 0 3 271.364 2.290 20 30 CEEDHN Cn1ncc(C2CC2)c1CN[C@H]1CCC[C@H](C#N)C1 ZINC000595075365 345740270 /nfs/dbraw/zinc/74/02/70/345740270.db2.gz AGZIVQANVQGOCK-AAEUAGOBSA-N 0 3 258.369 2.469 20 30 CEEDHN N#CC1(CNC(=O)C2(N)CC3(CCC3)C2)CCCCC1 ZINC000595258797 345750137 /nfs/dbraw/zinc/75/01/37/345750137.db2.gz UTQRIARRGPMFFF-UHFFFAOYSA-N 0 3 275.396 2.238 20 30 CEEDHN N#CC1(CNC(=O)[C@H](N)Cc2ccccc2)CCCCC1 ZINC000595257889 345750160 /nfs/dbraw/zinc/75/01/60/345750160.db2.gz BMNJUEYHNJHRNA-OAHLLOKOSA-N 0 3 285.391 2.147 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NC1CCC(C2CCC2)CC1 ZINC000595260057 345750964 /nfs/dbraw/zinc/75/09/64/345750964.db2.gz SWNNJFNNJHQSJX-NRXISQOPSA-N 0 3 277.412 2.483 20 30 CEEDHN N#Cc1ccc(CCN2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000595309903 345760007 /nfs/dbraw/zinc/76/00/07/345760007.db2.gz AUYPGJDVTMARTB-KBPBESRZSA-N 0 3 298.308 2.488 20 30 CEEDHN CN(CCO[C@@H]1CC1(F)F)Cc1cccc(C#N)c1 ZINC000595289135 345754718 /nfs/dbraw/zinc/75/47/18/345754718.db2.gz PCAOFWSJMGAQOB-CYBMUJFWSA-N 0 3 266.291 2.414 20 30 CEEDHN CC(=O)N(C)C1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595297680 345756534 /nfs/dbraw/zinc/75/65/34/345756534.db2.gz JDZSNFGURAXISI-UHFFFAOYSA-N 0 3 285.391 2.043 20 30 CEEDHN C[C@H](CC[S@@](C)=O)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594932333 345707570 /nfs/dbraw/zinc/70/75/70/345707570.db2.gz NLILKJSIQSKYLL-ZUOKHONESA-N 0 3 290.432 2.488 20 30 CEEDHN CC1(C)[C@H](O)C[C@@H]1NCc1ccc(C2(C#N)CC2)cc1 ZINC000594947140 345713510 /nfs/dbraw/zinc/71/35/10/345713510.db2.gz SULIGHHEADSAPI-LSDHHAIUSA-N 0 3 270.376 2.491 20 30 CEEDHN CC1(C)[C@H](NCc2ccc(C3(C#N)CC3)cc2)C[C@@H]1O ZINC000594947137 345713529 /nfs/dbraw/zinc/71/35/29/345713529.db2.gz SULIGHHEADSAPI-CABCVRRESA-N 0 3 270.376 2.491 20 30 CEEDHN CCc1nn(C)cc1CNCCc1ccc(C#N)cc1 ZINC000594956717 345715895 /nfs/dbraw/zinc/71/58/95/345715895.db2.gz ZGSVIGLKQMYJOD-UHFFFAOYSA-N 0 3 268.364 2.186 20 30 CEEDHN C[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000594964238 345718472 /nfs/dbraw/zinc/71/84/72/345718472.db2.gz CKDLHVKNGIGKNB-CKNLXJGOSA-N 0 3 294.395 2.477 20 30 CEEDHN C=CCOCCCNCc1cccc([N+](=O)[O-])c1 ZINC000594975637 345720909 /nfs/dbraw/zinc/72/09/09/345720909.db2.gz ZIACFGZMZSJOQE-UHFFFAOYSA-N 0 3 250.298 2.277 20 30 CEEDHN COc1cc(CNCCc2ccoc2)ccc1C#N ZINC000594983339 345721342 /nfs/dbraw/zinc/72/13/42/345721342.db2.gz YDNDPQRYLXQDSI-UHFFFAOYSA-N 0 3 256.305 2.492 20 30 CEEDHN COC[C@@H](CN(C)[C@H](C)c1cccc(C#N)c1)OC ZINC000595549420 345809942 /nfs/dbraw/zinc/80/99/42/345809942.db2.gz IZAFACUBQJDWQC-IUODEOHRSA-N 0 3 262.353 2.212 20 30 CEEDHN N#C[C@@H](c1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000595347140 345766530 /nfs/dbraw/zinc/76/65/30/345766530.db2.gz LBJFOSMWOOZUNF-KRWDZBQOSA-N 0 3 278.359 2.468 20 30 CEEDHN COCC1(NCc2ccc(C#N)cc2C)CCOCC1 ZINC000595501068 345796887 /nfs/dbraw/zinc/79/68/87/345796887.db2.gz RQLYWRWBWQNIMD-UHFFFAOYSA-N 0 3 274.364 2.152 20 30 CEEDHN COc1ccc(C#N)cc1CNC1(CCO)CCCC1 ZINC000595508632 345799342 /nfs/dbraw/zinc/79/93/42/345799342.db2.gz IEOHVGQTVSILGW-UHFFFAOYSA-N 0 3 274.364 2.352 20 30 CEEDHN C=CCCSCCNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000595515680 345801997 /nfs/dbraw/zinc/80/19/97/345801997.db2.gz NDHNJFAGLAKUGE-CQSZACIVSA-N 0 3 297.468 2.079 20 30 CEEDHN C=CCCSCCNC(=O)NC1CCN(CC=C)CC1 ZINC000595517643 345802057 /nfs/dbraw/zinc/80/20/57/345802057.db2.gz XFKAIAIWPLHPAE-UHFFFAOYSA-N 0 3 297.468 2.245 20 30 CEEDHN C[C@@H](CO)[C@@H]1CCCCN1CCOc1ccccc1C#N ZINC000595677608 345846252 /nfs/dbraw/zinc/84/62/52/345846252.db2.gz PJMMOMCIZZIMOO-HOCLYGCPSA-N 0 3 288.391 2.420 20 30 CEEDHN COC[C@@H](NCc1ccc(F)c(C#N)c1)C1CCOCC1 ZINC000595617579 345829310 /nfs/dbraw/zinc/82/93/10/345829310.db2.gz WQKHCUIIUXOREQ-MRXNPFEDSA-N 0 3 292.354 2.229 20 30 CEEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000595659156 345840401 /nfs/dbraw/zinc/84/04/01/345840401.db2.gz LGLNZAZCDFAKPX-ZIAGYGMSSA-N 0 3 295.427 2.145 20 30 CEEDHN C=CC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595660416 345841159 /nfs/dbraw/zinc/84/11/59/345841159.db2.gz QRHPEBSCWHYTCS-GFCCVEGCSA-N 0 3 264.329 2.079 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@](O)(C3CC3)C2)s1 ZINC000595749312 345865920 /nfs/dbraw/zinc/86/59/20/345865920.db2.gz KMSLRMZHYLCFGH-AWEZNQCLSA-N 0 3 262.378 2.357 20 30 CEEDHN C[C@@]12COC[C@H]1CN(Cc1ccc(C#N)c(F)c1)C2 ZINC000595755807 345867272 /nfs/dbraw/zinc/86/72/72/345867272.db2.gz CYEXVOJQEOQTPR-UKRRQHHQSA-N 0 3 260.312 2.166 20 30 CEEDHN C[C@@]12COC[C@@H]1CN(Cc1ccc(F)c(C#N)c1)C2 ZINC000595757232 345868332 /nfs/dbraw/zinc/86/83/32/345868332.db2.gz IHUVHVSARRTSRL-DZGCQCFKSA-N 0 3 260.312 2.166 20 30 CEEDHN Cc1cc(C#N)ccc1CN[C@H]1C[C@@H](O)C12CCC2 ZINC000595784352 345876117 /nfs/dbraw/zinc/87/61/17/345876117.db2.gz VAUQUJMZKFSWGD-LSDHHAIUSA-N 0 3 256.349 2.260 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000595845413 345897059 /nfs/dbraw/zinc/89/70/59/345897059.db2.gz NSWJBPVYVDNQBO-MCIONIFRSA-N 0 3 273.380 2.120 20 30 CEEDHN COC(=O)[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2C)C1 ZINC000595856187 345898812 /nfs/dbraw/zinc/89/88/12/345898812.db2.gz JVIYKGTUFHEXIF-GASCZTMLSA-N 0 3 272.348 2.250 20 30 CEEDHN CC1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1cccc(C#N)c1 ZINC000595858231 345899775 /nfs/dbraw/zinc/89/97/75/345899775.db2.gz UNMLGEUVQILJGZ-FUCXHRTASA-N 0 3 297.402 2.437 20 30 CEEDHN CN(CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CC1(C)C ZINC000595912923 345912184 /nfs/dbraw/zinc/91/21/84/345912184.db2.gz PIRXFBKNGUUSCR-ZDUSSCGKSA-N 0 3 277.412 2.307 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1nc2ncccc2cc1C#N ZINC000596162521 345956687 /nfs/dbraw/zinc/95/66/87/345956687.db2.gz LZOXSDDEWRPXSB-XHDPSFHLSA-N 0 3 293.374 2.396 20 30 CEEDHN CCN1CCN(CCNc2c(Cl)cccc2C#N)CC1 ZINC000596073528 345933504 /nfs/dbraw/zinc/93/35/04/345933504.db2.gz MFLXQEKWSMDRBE-UHFFFAOYSA-N 0 3 292.814 2.261 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1c(C#N)cnn1C ZINC000596220072 345973249 /nfs/dbraw/zinc/97/32/49/345973249.db2.gz VJWYUIJHWRAXCH-XJKSGUPXSA-N 0 3 295.390 2.224 20 30 CEEDHN CCCN1CC[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000596911459 346105342 /nfs/dbraw/zinc/10/53/42/346105342.db2.gz RJEMOCGEYRBSRB-ZDUSSCGKSA-N 0 3 290.342 2.303 20 30 CEEDHN CCN(C(=O)NCC1CCC(C#N)CC1)[C@H]1CCN(C)C1 ZINC000596596286 346062358 /nfs/dbraw/zinc/06/23/58/346062358.db2.gz MNGKMMJSAYJIMU-NRXISQOPSA-N 0 3 292.427 2.052 20 30 CEEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596981998 346112015 /nfs/dbraw/zinc/11/20/15/346112015.db2.gz UNRFWSHCHNGXKP-CQSZACIVSA-N 0 3 284.359 2.237 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCc1cocn1 ZINC000597757185 346227346 /nfs/dbraw/zinc/22/73/46/346227346.db2.gz FRJCMRFZYIXAMT-ZDUSSCGKSA-N 0 3 269.304 2.063 20 30 CEEDHN CSCCNC(=O)C(C#N)CCc1ccccc1 ZINC000597854620 346238918 /nfs/dbraw/zinc/23/89/18/346238918.db2.gz KCQKHQSRPILCCO-CYBMUJFWSA-N 0 3 262.378 2.238 20 30 CEEDHN N#Cc1ccc(F)c(CN2CCCN(C3CC3)CC2)c1 ZINC000061041308 362674313 /nfs/dbraw/zinc/67/43/13/362674313.db2.gz LBEKKESUBDOBLF-UHFFFAOYSA-N 0 3 273.355 2.367 20 30 CEEDHN CCCN1CC[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC000598341946 346331928 /nfs/dbraw/zinc/33/19/28/346331928.db2.gz IYFHSDJLHOTOFM-NSHDSACASA-N 0 3 293.317 2.051 20 30 CEEDHN C[C@]12COC[C@H]1CN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000598225117 346310981 /nfs/dbraw/zinc/31/09/81/346310981.db2.gz LOTKAKNJNNAVCQ-JZXOWHBKSA-N 0 3 298.386 2.254 20 30 CEEDHN C[C@@H](O)[C@H]1CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000598240049 346314156 /nfs/dbraw/zinc/31/41/56/346314156.db2.gz XPBMKQCRLKIZPR-VNQPRFMTSA-N 0 3 286.375 2.131 20 30 CEEDHN C[C@@H](C(=O)N1CC[C@](C)(C#N)C1)N1[C@H](C)CC[C@@H]1C ZINC000598414759 346350636 /nfs/dbraw/zinc/35/06/36/346350636.db2.gz FSXJRTAJRUEJRV-SFDCQRBFSA-N 0 3 263.385 2.010 20 30 CEEDHN C[C@H]1CN(CCCOc2cccc(C#N)c2)CCCO1 ZINC000061918397 362699291 /nfs/dbraw/zinc/69/92/91/362699291.db2.gz BETFMFSYEZNOBW-AWEZNQCLSA-N 0 3 274.364 2.438 20 30 CEEDHN COCCN(Cc1cccs1)C[C@@H](O)CC(C)(C)C#N ZINC000598583640 346377778 /nfs/dbraw/zinc/37/77/78/346377778.db2.gz DDWMHRMVINJMJY-ZDUSSCGKSA-N 0 3 296.436 2.497 20 30 CEEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598585833 346377968 /nfs/dbraw/zinc/37/79/68/346377968.db2.gz BIDMLVHIGGPSFN-HNNXBMFYSA-N 0 3 271.364 2.291 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000598596631 346381035 /nfs/dbraw/zinc/38/10/35/346381035.db2.gz QRERPKMYXMENNU-UONOGXRCSA-N 0 3 276.384 2.237 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CC(Cc2ccccc2)C1 ZINC000598600613 346382162 /nfs/dbraw/zinc/38/21/62/346382162.db2.gz VIGVXXRSHYIKKS-MRXNPFEDSA-N 0 3 272.392 2.462 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCc2c1cccc2O ZINC000598617522 346384561 /nfs/dbraw/zinc/38/45/61/346384561.db2.gz JUMUSMSKWLQDFD-FZMZJTMJSA-N 0 3 274.364 2.270 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@@H](Oc2ccccc2)C1 ZINC000598627503 346387758 /nfs/dbraw/zinc/38/77/58/346387758.db2.gz GYYPRNQIBJETMF-GDBMZVCRSA-N 0 3 288.391 2.440 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(F)c(F)c1 ZINC000598700791 346403262 /nfs/dbraw/zinc/40/32/62/346403262.db2.gz FJEPOFWEHFLKBQ-NSHDSACASA-N 0 3 268.307 2.355 20 30 CEEDHN C[C@@H](CC1(C#N)CCOCC1)NCCNc1ccccn1 ZINC000602595206 347092894 /nfs/dbraw/zinc/09/28/94/347092894.db2.gz XIDLZOOLTQAABS-AWEZNQCLSA-N 0 3 288.395 2.182 20 30 CEEDHN CN(C(=O)c1ccc2c(c1)CNC2)[C@H]1CCC[C@H]1C#N ZINC000602597404 347093955 /nfs/dbraw/zinc/09/39/55/347093955.db2.gz BRXPXDHAEXDOIB-WFASDCNBSA-N 0 3 269.348 2.054 20 30 CEEDHN Cc1ccc(CN2C[C@@H](C)N(C)C[C@H]2C)cc1C#N ZINC000599340893 346502548 /nfs/dbraw/zinc/50/25/48/346502548.db2.gz AYGKVLVWTQLSEP-ZIAGYGMSSA-N 0 3 257.381 2.391 20 30 CEEDHN Cc1ccc(CN2CCC(C)(CO)CC2)cc1C#N ZINC000599359728 346506276 /nfs/dbraw/zinc/50/62/76/346506276.db2.gz DFAHAAMHTZMPCJ-UHFFFAOYSA-N 0 3 258.365 2.461 20 30 CEEDHN CC[C@H](NC[C@H](O)CC1(C#N)CC1)c1c(C)noc1C ZINC000599359751 346506298 /nfs/dbraw/zinc/50/62/98/346506298.db2.gz UCEGCMHCCQTOCV-OLZOCXBDSA-N 0 3 277.368 2.387 20 30 CEEDHN C[C@H](O)CCCN1CCc2c(CC#N)cccc2C1 ZINC000599677328 346562036 /nfs/dbraw/zinc/56/20/36/346562036.db2.gz FEDAKKHVOOVZEJ-ZDUSSCGKSA-N 0 3 258.365 2.272 20 30 CEEDHN CC(C)(O)CCN1CCc2c(CC#N)cccc2C1 ZINC000599679885 346563195 /nfs/dbraw/zinc/56/31/95/346563195.db2.gz ZDULWQDUGNGKGO-UHFFFAOYSA-N 0 3 258.365 2.272 20 30 CEEDHN C/C=C/C[C@H]1CCCN(CC(=O)N(CC)CCC#N)C1 ZINC000599689553 346566953 /nfs/dbraw/zinc/56/69/53/346566953.db2.gz JMCICGRMLUHYEY-UJAVWCLSSA-N 0 3 277.412 2.427 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000600522415 346648173 /nfs/dbraw/zinc/64/81/73/346648173.db2.gz PEMYICZLPRNRHO-GVDBMIGSSA-N 0 3 298.386 2.443 20 30 CEEDHN CC[C@@H](N)c1cn(-c2ccc(Cl)cc2C#N)nn1 ZINC000600975958 346724162 /nfs/dbraw/zinc/72/41/62/346724162.db2.gz MGMHIIGWGPYXBW-SNVBAGLBSA-N 0 3 261.716 2.202 20 30 CEEDHN N#CC1(C[C@H](O)CNCc2ccc(Cl)o2)CC1 ZINC000600717731 346677085 /nfs/dbraw/zinc/67/70/85/346677085.db2.gz MORCSTSVVZHYOL-VIFPVBQESA-N 0 3 254.717 2.077 20 30 CEEDHN N#CC1(C[C@H](O)CNCc2ccc(F)cc2F)CC1 ZINC000600717816 346677101 /nfs/dbraw/zinc/67/71/01/346677101.db2.gz NWRJNAYHJIONIX-LBPRGKRZSA-N 0 3 266.291 2.109 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@@H]2CCc3ccc(F)cc32)CC1 ZINC000600719661 346677700 /nfs/dbraw/zinc/67/77/00/346677700.db2.gz DQSVHOITRNIDKD-DZGCQCFKSA-N 0 3 274.339 2.457 20 30 CEEDHN CC(C)Oc1ncccc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600718909 346677921 /nfs/dbraw/zinc/67/79/21/346677921.db2.gz ZRVIMAHXCFCZKU-AWEZNQCLSA-N 0 3 289.379 2.013 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCc3c2cccc3F)CC1 ZINC000600721753 346678549 /nfs/dbraw/zinc/67/85/49/346678549.db2.gz WWUWDGLLQFPANP-IAQYHMDHSA-N 0 3 274.339 2.457 20 30 CEEDHN CCOc1ccc(CNC[C@H](O)CC2(C#N)CC2)cc1F ZINC000600723480 346678914 /nfs/dbraw/zinc/67/89/14/346678914.db2.gz VDVDFFQYCRQCQR-CYBMUJFWSA-N 0 3 292.354 2.369 20 30 CEEDHN N#Cc1cc(F)ccc1-c1ccc(N2CCNCC2)nc1 ZINC000600790111 346690735 /nfs/dbraw/zinc/69/07/35/346690735.db2.gz VTZSODMUKPNSEN-UHFFFAOYSA-N 0 3 282.322 2.169 20 30 CEEDHN N#Cc1cc(N2CC[C@H](N3CCCCC3)C2)nc(C2CC2)n1 ZINC000601115263 346757164 /nfs/dbraw/zinc/75/71/64/346757164.db2.gz DZSNNJWLAMLPNI-HNNXBMFYSA-N 0 3 297.406 2.290 20 30 CEEDHN Cc1cc(C#N)cc(N(C)[C@H]2CCN(C)C[C@H]2C)n1 ZINC000601125944 346761525 /nfs/dbraw/zinc/76/15/25/346761525.db2.gz LBVOZYWJHDQJST-RISCZKNCSA-N 0 3 258.369 2.038 20 30 CEEDHN CCCCN(C)CCNC(=O)c1ccccc1CC#N ZINC000601158131 346772288 /nfs/dbraw/zinc/77/22/88/346772288.db2.gz NEFQXXYKVVFVQU-UHFFFAOYSA-N 0 3 273.380 2.214 20 30 CEEDHN CC(C)CN1CCN(c2cc(C#N)nc(C3CC3)n2)CC1 ZINC000601101522 346752534 /nfs/dbraw/zinc/75/25/34/346752534.db2.gz YIVSRUVPTZOAQR-UHFFFAOYSA-N 0 3 285.395 2.004 20 30 CEEDHN C[C@@H](O)C[C@H]1CCCCN1Cc1cccc(C#N)n1 ZINC000602645149 347121225 /nfs/dbraw/zinc/12/12/25/347121225.db2.gz VBQBTLNKISDWPN-IUODEOHRSA-N 0 3 259.353 2.079 20 30 CEEDHN C=CC[C@@H](CC)NCc1cc(C(=O)OCC)no1 ZINC000602648993 347122892 /nfs/dbraw/zinc/12/28/92/347122892.db2.gz RRZNEAIQXXGKIV-SNVBAGLBSA-N 0 3 252.314 2.296 20 30 CEEDHN COC(=O)c1cc(C(C)(C)NC[C@H](C)CCC#N)no1 ZINC000602671737 347135377 /nfs/dbraw/zinc/13/53/77/347135377.db2.gz VOHIDUKBKFAIHW-SNVBAGLBSA-N 0 3 279.340 2.226 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)n1 ZINC000602676490 347138274 /nfs/dbraw/zinc/13/82/74/347138274.db2.gz QUKNTVUIDGRVGN-BZUAXINKSA-N 0 3 271.364 2.079 20 30 CEEDHN Cc1ncccc1NC(=O)[C@H](C)NC[C@@H](C)CCC#N ZINC000602689004 347147894 /nfs/dbraw/zinc/14/78/94/347147894.db2.gz UZPVATNQCWEBBR-AAEUAGOBSA-N 0 3 274.368 2.247 20 30 CEEDHN N#Cc1cccc(CNC[C@@H]2Cc3ccccc3CO2)n1 ZINC000602719852 347169137 /nfs/dbraw/zinc/16/91/37/347169137.db2.gz BBGMFYJDZWVWNU-KRWDZBQOSA-N 0 3 279.343 2.184 20 30 CEEDHN CC(C)(CC#N)CNCc1cccn(C(F)F)c1=O ZINC000602692803 347150769 /nfs/dbraw/zinc/15/07/69/347150769.db2.gz ZTOBJMPCYXJBAD-UHFFFAOYSA-N 0 3 269.295 2.273 20 30 CEEDHN C[C@@H]1CC2(CN1Cc1cccc(C#N)n1)CCOCC2 ZINC000602702366 347158519 /nfs/dbraw/zinc/15/85/19/347158519.db2.gz JUSLCPXKXQQBMA-CYBMUJFWSA-N 0 3 271.364 2.344 20 30 CEEDHN CC[C@@H](COCC1CC1)NCc1cccc(C#N)n1 ZINC000602709277 347162731 /nfs/dbraw/zinc/16/27/31/347162731.db2.gz RLEBDGOUCPLADQ-ZDUSSCGKSA-N 0 3 259.353 2.248 20 30 CEEDHN C[C@@H](CCC#N)CN[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000602716726 347167588 /nfs/dbraw/zinc/16/75/88/347167588.db2.gz XZXCVCDXJHGVMS-SWLSCSKDSA-N 0 3 292.404 2.186 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NCc1cccc(C#N)n1 ZINC000602718218 347168021 /nfs/dbraw/zinc/16/80/21/347168021.db2.gz RCMOTYDKDYWBPQ-AWEZNQCLSA-N 0 3 272.396 2.163 20 30 CEEDHN C[C@@](CO)(Cc1ccccc1F)NCc1cccc(C#N)n1 ZINC000602739417 347181382 /nfs/dbraw/zinc/18/13/82/347181382.db2.gz DWAVTWRLFGRNPJ-KRWDZBQOSA-N 0 3 299.349 2.176 20 30 CEEDHN C[C@@H]1CCN(CCOc2ccc(C#N)cc2)[C@H](CO)C1 ZINC000602930306 347250356 /nfs/dbraw/zinc/25/03/56/347250356.db2.gz CUUXFFBHKQBNPW-HIFRSBDPSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@@H]1CCN(CCOc2ccccc2C#N)[C@H](CO)C1 ZINC000602931818 347250574 /nfs/dbraw/zinc/25/05/74/347250574.db2.gz SWOZLRNQWSJTDY-HIFRSBDPSA-N 0 3 274.364 2.030 20 30 CEEDHN CC(C)SCCN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851968 347224976 /nfs/dbraw/zinc/22/49/76/347224976.db2.gz ZFVSCFDYOKTTSY-BETUJISGSA-N 0 3 255.431 2.046 20 30 CEEDHN CC(C)SCCN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851970 347225329 /nfs/dbraw/zinc/22/53/29/347225329.db2.gz ZFVSCFDYOKTTSY-STQMWFEESA-N 0 3 255.431 2.046 20 30 CEEDHN C[C@@H](CC#N)NC[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000602871707 347232660 /nfs/dbraw/zinc/23/26/60/347232660.db2.gz UVVNOPAADGHKBY-STQMWFEESA-N 0 3 265.401 2.163 20 30 CEEDHN N#CCSCCCN1CCC[C@H]1c1cn[nH]c1 ZINC000602881490 347236821 /nfs/dbraw/zinc/23/68/21/347236821.db2.gz QPYVMKRJORWUQT-LBPRGKRZSA-N 0 3 250.371 2.193 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602905795 347243839 /nfs/dbraw/zinc/24/38/39/347243839.db2.gz CTLFUHGCEVFZTM-INIZCTEOSA-N 0 3 271.364 2.070 20 30 CEEDHN N#Cc1ccc(C2CCN(C[C@H]3CCCO3)CC2)nc1 ZINC000602909999 347244174 /nfs/dbraw/zinc/24/41/74/347244174.db2.gz BSNMPRLVDPPZJO-OAHLLOKOSA-N 0 3 271.364 2.312 20 30 CEEDHN N#CCCCN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000603147438 347298087 /nfs/dbraw/zinc/29/80/87/347298087.db2.gz XJOHHZXBJUUXIS-STQMWFEESA-N 0 3 286.297 2.414 20 30 CEEDHN CC(C)N1CCN(CCCN(C)[C@@H]2CCC[C@H]2C#N)CC1 ZINC000602981016 347263966 /nfs/dbraw/zinc/26/39/66/347263966.db2.gz YQSRXFBGXJMZOE-DLBZAZTESA-N 0 3 292.471 2.027 20 30 CEEDHN CC(C)(C#N)CCCn1cc([C@@H](N)C2CCOCC2)nn1 ZINC000603260288 347323337 /nfs/dbraw/zinc/32/33/37/347323337.db2.gz LUOMJSNICHXAEY-AWEZNQCLSA-N 0 3 291.399 2.034 20 30 CEEDHN COCc1cc(C#N)ccc1NCCN(C)C1CC1 ZINC000603281548 347327889 /nfs/dbraw/zinc/32/78/89/347327889.db2.gz VKPVNTJOJCXQQC-UHFFFAOYSA-N 0 3 259.353 2.211 20 30 CEEDHN CCC[C@H](N)c1cn(CCOc2cccc(C#N)c2)nn1 ZINC000603208581 347308952 /nfs/dbraw/zinc/30/89/52/347308952.db2.gz LMODEYMPCWCYPA-AWEZNQCLSA-N 0 3 285.351 2.029 20 30 CEEDHN CCC[C@H](N)c1cn(Cc2ccc(C)c(C#N)c2)nn1 ZINC000603224271 347314309 /nfs/dbraw/zinc/31/43/09/347314309.db2.gz QMAYAOOMCIBHAL-AWEZNQCLSA-N 0 3 269.352 2.306 20 30 CEEDHN CC(C)[C@@H](N)c1cn([C@H](C)c2cccc(C#N)c2)nn1 ZINC000603231936 347317420 /nfs/dbraw/zinc/31/74/20/347317420.db2.gz DLHOOWNCDDYZOO-IAQYHMDHSA-N 0 3 269.352 2.415 20 30 CEEDHN CC[C@H](N)c1cn([C@@H](C)c2cccc(C#N)c2)nn1 ZINC000603233257 347317868 /nfs/dbraw/zinc/31/78/68/347317868.db2.gz JAIXDSPMCDOTSS-GWCFXTLKSA-N 0 3 255.325 2.169 20 30 CEEDHN CCC[C@@H](N)c1cn(Cc2ccc(C#N)c(C)c2)nn1 ZINC000603233850 347318115 /nfs/dbraw/zinc/31/81/15/347318115.db2.gz DCNIAOBFZGZQTH-CQSZACIVSA-N 0 3 269.352 2.306 20 30 CEEDHN CC(C)[C@H](N)c1cn(CCCOc2cccc(C#N)c2)nn1 ZINC000603241075 347319669 /nfs/dbraw/zinc/31/96/69/347319669.db2.gz DHHLMNNLMYKNND-INIZCTEOSA-N 0 3 299.378 2.275 20 30 CEEDHN CCO[C@@H]1C[C@@H](N(C)C(=O)C(C)C#N)C12CCCC2 ZINC000610164071 347662716 /nfs/dbraw/zinc/66/27/16/347662716.db2.gz ZZEUDCMDHYMLJN-YNEHKIRRSA-N 0 3 264.369 2.342 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC2(C1)CCCCC2 ZINC000129903316 365904800 /nfs/dbraw/zinc/90/48/00/365904800.db2.gz PIYYGWXJCHXGRB-UHFFFAOYSA-N 0 3 277.412 2.405 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000609620092 347647249 /nfs/dbraw/zinc/64/72/49/347647249.db2.gz CGTGWNDSKOKPOS-WDEREUQCSA-N 0 3 293.317 2.067 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000609620216 347647321 /nfs/dbraw/zinc/64/73/21/347647321.db2.gz HXLQGDSJHIINAK-WCQYABFASA-N 0 3 286.331 2.281 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000609843619 347652622 /nfs/dbraw/zinc/65/26/22/347652622.db2.gz NSUOZKGHQZPDMN-ZYHUDNBSSA-N 0 3 272.304 2.238 20 30 CEEDHN N#CCN1CCC(NCc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000610860038 347718658 /nfs/dbraw/zinc/71/86/58/347718658.db2.gz DRERWHMHNWNFSO-UHFFFAOYSA-N 0 3 295.390 2.154 20 30 CEEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C(C)(C)CO ZINC000610613827 347695924 /nfs/dbraw/zinc/69/59/24/347695924.db2.gz GOUPZYQWQYAJPB-UHFFFAOYSA-N 0 3 284.306 2.362 20 30 CEEDHN CC(C#N)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000610605830 347696113 /nfs/dbraw/zinc/69/61/13/347696113.db2.gz WUPJKQHZCQXCPK-VQVTYTSYSA-N 0 3 288.191 2.345 20 30 CEEDHN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)C(C)C#N ZINC000610672779 347700324 /nfs/dbraw/zinc/70/03/24/347700324.db2.gz FEJRJCBANVBTQZ-TZMCWYRMSA-N 0 3 271.364 2.403 20 30 CEEDHN N#Cc1ccc(CNCCN2Cc3ccccc3C2)o1 ZINC000610270733 347667381 /nfs/dbraw/zinc/66/73/81/347667381.db2.gz XJCJJRSNOJVSOS-UHFFFAOYSA-N 0 3 267.332 2.257 20 30 CEEDHN CC(C#N)C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000611299325 347764708 /nfs/dbraw/zinc/76/47/08/347764708.db2.gz KULPKYHLXRVOMW-GFCCVEGCSA-N 0 3 298.342 2.233 20 30 CEEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)[C@@H]1CN(C)CCO1 ZINC000611394724 347773297 /nfs/dbraw/zinc/77/32/97/347773297.db2.gz YYDSDAHCUZNEPO-VHSSKADRSA-N 0 3 299.418 2.244 20 30 CEEDHN C[C@H](C#N)CN(C)Cc1ccc(OCCN(C)C)cc1 ZINC000611260860 347760216 /nfs/dbraw/zinc/76/02/16/347760216.db2.gz MDLFRRIPLQAYCX-CQSZACIVSA-N 0 3 275.396 2.218 20 30 CEEDHN CC[C@@H](NC1CCN(CC#N)CC1)c1ccc(F)cn1 ZINC000611519339 347790143 /nfs/dbraw/zinc/79/01/43/347790143.db2.gz WOXYMNIMXIUXHX-CQSZACIVSA-N 0 3 276.359 2.249 20 30 CEEDHN C[C@@H](NC1CCN(CC#N)CC1)c1ccc(Cl)cn1 ZINC000614137248 348148310 /nfs/dbraw/zinc/14/83/10/348148310.db2.gz IQOFBUPJFKAMDM-LLVKDONJSA-N 0 3 278.787 2.374 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N1CCCN(C)C[C@H]1CC)OCC ZINC000614333015 348181078 /nfs/dbraw/zinc/18/10/78/348181078.db2.gz YIQJHQPEAFBSSM-HUUCEWRRSA-N 0 3 282.428 2.300 20 30 CEEDHN C=CCN(CCOC)CCOc1ccc(F)cc1 ZINC000066568018 362874813 /nfs/dbraw/zinc/87/48/13/362874813.db2.gz ODWNRLVOFBRJOG-UHFFFAOYSA-N 0 3 253.317 2.339 20 30 CEEDHN CN(C)C1(CNC(=O)C2(c3cccc(C#N)c3)CC2)CCC1 ZINC000615141724 348287891 /nfs/dbraw/zinc/28/78/91/348287891.db2.gz QAWCZSCSXHVHAJ-UHFFFAOYSA-N 0 3 297.402 2.190 20 30 CEEDHN C=CCC1(C(=O)NC[C@H]2CCN2C(C)(C)C)CCOCC1 ZINC000617005928 348608300 /nfs/dbraw/zinc/60/83/00/348608300.db2.gz RGRRYWOFWJJGBS-CQSZACIVSA-N 0 3 294.439 2.348 20 30 CEEDHN COC1CCN(CCNCc2ccc(C#N)c(C)c2)CC1 ZINC000618194460 348898541 /nfs/dbraw/zinc/89/85/41/348898541.db2.gz OWMMDMLJGQMFJP-UHFFFAOYSA-N 0 3 287.407 2.067 20 30 CEEDHN C[C@@H]1[C@@H](C)CN1CCC(=O)Nc1cccc(C#N)c1 ZINC000339563001 215244576 /nfs/dbraw/zinc/24/45/76/215244576.db2.gz QCJZZRZPOBUXIV-NWDGAFQWSA-N 0 3 257.337 2.227 20 30 CEEDHN C[C@H](CC(=O)N(C)C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618801930 349043354 /nfs/dbraw/zinc/04/33/54/349043354.db2.gz CEFCZFVKQXCLAB-IAQYHMDHSA-N 0 3 271.364 2.002 20 30 CEEDHN C[C@@H](Cn1cccn1)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618806042 349044905 /nfs/dbraw/zinc/04/49/05/349044905.db2.gz MZNUKPGUICAYSM-BLLLJJGKSA-N 0 3 266.348 2.420 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000618985381 349086272 /nfs/dbraw/zinc/08/62/72/349086272.db2.gz IMIQHMBGJDLLFW-DOTOQJQBSA-N 0 3 296.455 2.452 20 30 CEEDHN Cc1cc(CN2CC[C@H](N3CCOCC3)[C@@H]2C)ccc1C#N ZINC000352027496 219292835 /nfs/dbraw/zinc/29/28/35/219292835.db2.gz LDXPYAFZLIFDSR-YJBOKZPZSA-N 0 3 299.418 2.162 20 30 CEEDHN CC(C)N1CC[C@@H](Nc2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000619694891 349219128 /nfs/dbraw/zinc/21/91/28/349219128.db2.gz VECAJQLKXHXHCF-SNVBAGLBSA-N 0 3 298.312 2.289 20 30 CEEDHN CCN(Cc1ccc(C#N)cc1OC(F)F)[C@H](C)CO ZINC000339629488 215278232 /nfs/dbraw/zinc/27/82/32/215278232.db2.gz JGFUDGIGUXTDHO-SNVBAGLBSA-N 0 3 284.306 2.362 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000623748859 350100785 /nfs/dbraw/zinc/10/07/85/350100785.db2.gz KWGBQFVSABNKJA-GZBFAFLISA-N 0 3 277.412 2.077 20 30 CEEDHN C[C@@H]1[C@@H](CO)CCCN1CCOc1ccccc1C#N ZINC000412080966 233332936 /nfs/dbraw/zinc/33/29/36/233332936.db2.gz LUEDUQKCUYATOK-UKRRQHHQSA-N 0 3 274.364 2.030 20 30 CEEDHN C=CCC[C@@H](NC[C@@H]1COCCN1C)c1ccco1 ZINC000624176291 350219152 /nfs/dbraw/zinc/21/91/52/350219152.db2.gz HQQXMUPBZAGFGL-ZIAGYGMSSA-N 0 3 264.369 2.207 20 30 CEEDHN C=C(C)CN1CCC([NH2+]Cc2nc(C)ccc2[O-])CC1 ZINC000106245122 186104860 /nfs/dbraw/zinc/10/48/60/186104860.db2.gz AQGVMIPRDASIHV-UHFFFAOYSA-N 0 3 275.396 2.226 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCCCOC(C)C)CC1 ZINC000106256104 186105674 /nfs/dbraw/zinc/10/56/74/186105674.db2.gz QATQIZIURPGXPL-UHFFFAOYSA-N 0 3 297.443 2.141 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cnn(C(C)C)c2C)CC1 ZINC000092415869 180380544 /nfs/dbraw/zinc/38/05/44/180380544.db2.gz QYXJQBJNZRFIMR-UHFFFAOYSA-N 0 3 290.411 2.153 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)N2CCc3ccccc3C2)C1 ZINC000625701195 350550912 /nfs/dbraw/zinc/55/09/12/350550912.db2.gz NTSJPICUENIQEI-OAHLLOKOSA-N 0 3 284.403 2.469 20 30 CEEDHN CN1CCC[C@H](CNC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000108499256 186219895 /nfs/dbraw/zinc/21/98/95/186219895.db2.gz CXCZYDRRVKEKDC-CQSZACIVSA-N 0 3 286.379 2.216 20 30 CEEDHN OC[C@]12CCC[C@H]1CN(CC#Cc1ccc(F)cc1)C2 ZINC000626014474 350628727 /nfs/dbraw/zinc/62/87/27/350628727.db2.gz GKEHQOWLSHMYEE-DOTOQJQBSA-N 0 3 273.351 2.272 20 30 CEEDHN C=CCN1CC[C@H](N2CCC[C@@H](C/C=C\C)C2)C1=O ZINC000626163344 350674612 /nfs/dbraw/zinc/67/46/12/350674612.db2.gz IUYOCOBKCOWDAJ-SUXDSQMHSA-N 0 3 262.397 2.452 20 30 CEEDHN C=C(C)COc1cc(CN(C)C[C@@H](C)O)ccc1OC ZINC000130806645 365993381 /nfs/dbraw/zinc/99/33/81/365993381.db2.gz LNVDTCBSZKRCPV-CYBMUJFWSA-N 0 3 279.380 2.463 20 30 CEEDHN COCC1CCN(CCOc2ccccc2C#N)CC1 ZINC000069704128 362992617 /nfs/dbraw/zinc/99/26/17/362992617.db2.gz QZAUWLNYTZNRPD-UHFFFAOYSA-N 0 3 274.364 2.295 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)CCN(C)c2ccncc2)C1 ZINC000628490384 351115704 /nfs/dbraw/zinc/11/57/04/351115704.db2.gz WUDLCTRJQPDSGE-AWEZNQCLSA-N 0 3 273.380 2.333 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000069857202 363008881 /nfs/dbraw/zinc/00/88/81/363008881.db2.gz DYQGMRPMFHWLMB-SFHVURJKSA-N 0 3 299.418 2.102 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000628546074 351135410 /nfs/dbraw/zinc/13/54/10/351135410.db2.gz NFKGOMXEEPNEIU-GOEBONIOSA-N 0 3 294.439 2.491 20 30 CEEDHN CCC[C@H](CC)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115598574 186682036 /nfs/dbraw/zinc/68/20/36/186682036.db2.gz LHBHPGINAUSMRR-KBPBESRZSA-N 0 3 259.353 2.253 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1N1CC[C@@H](N2CCCC2)C1 ZINC000131230344 366032869 /nfs/dbraw/zinc/03/28/69/366032869.db2.gz WOYYOSROLPUTTN-OAHLLOKOSA-N 0 3 283.375 2.435 20 30 CEEDHN C[C@@H]1[C@@H](C)N(CCCC2(C#N)CCOCC2)CCN1C ZINC000337172070 366050901 /nfs/dbraw/zinc/05/09/01/366050901.db2.gz FEFWLNLRPYCMKV-HUUCEWRRSA-N 0 3 279.428 2.111 20 30 CEEDHN N#Cc1ccc2ncc(CNCCOc3ccccc3)n2c1 ZINC000123162782 187075259 /nfs/dbraw/zinc/07/52/59/187075259.db2.gz PXAWWVMLMKCCEZ-UHFFFAOYSA-N 0 3 292.342 2.375 20 30 CEEDHN C[C@@H](NCc1ccc(C#N)o1)[C@@H](O)Cc1ccccc1 ZINC000123244972 187080154 /nfs/dbraw/zinc/08/01/54/187080154.db2.gz ADXVMLCVBBFFJG-WBMJQRKESA-N 0 3 270.332 2.233 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC2(CCC2)C1 ZINC000123655178 187102871 /nfs/dbraw/zinc/10/28/71/187102871.db2.gz KUCRRCBPPBCDHH-AWEZNQCLSA-N 0 3 262.397 2.452 20 30 CEEDHN C=CCCC[C@@H](C)NCc1cn(C[C@@H]2CCOC2)nn1 ZINC000631108991 351967424 /nfs/dbraw/zinc/96/74/24/351967424.db2.gz WQOFTZDCYGCKGG-KGLIPLIRSA-N 0 3 278.400 2.149 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1conc1C)C(C)C ZINC000631273986 352048029 /nfs/dbraw/zinc/04/80/29/352048029.db2.gz FSLPUYZAPNWMOJ-HNNXBMFYSA-N 0 3 291.395 2.411 20 30 CEEDHN C=CCN(C[C@@H](O)COCc1cccc(OC)c1)C1CC1 ZINC000271457157 191149419 /nfs/dbraw/zinc/14/94/19/191149419.db2.gz PDEWJMQYIUSVFQ-MRXNPFEDSA-N 0 3 291.391 2.223 20 30 CEEDHN C=CCOc1cccc(CNCC[C@H](O)C(F)F)c1 ZINC000631220291 352023106 /nfs/dbraw/zinc/02/31/06/352023106.db2.gz VWNVOBNZWPKGES-ZDUSSCGKSA-N 0 3 271.307 2.357 20 30 CEEDHN N#CCCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664978 363155787 /nfs/dbraw/zinc/15/57/87/363155787.db2.gz NLCDBFMKQOTIFT-GFCCVEGCSA-N 0 3 289.339 2.170 20 30 CEEDHN C[C@@H](NCC[C@H]1CCOC1=O)c1ccc(C#N)cc1 ZINC000271649479 191258770 /nfs/dbraw/zinc/25/87/70/191258770.db2.gz ISUADNGJVZXTDZ-RISCZKNCSA-N 0 3 258.321 2.162 20 30 CEEDHN C=C(C)CN(Cc1ccc(CO)o1)[C@@H]1CCCC[C@H]1O ZINC000352792821 539949541 /nfs/dbraw/zinc/94/95/41/539949541.db2.gz NSBZQYYLWNIMPM-HZPDHXFCSA-N 0 3 279.380 2.454 20 30 CEEDHN Cc1nnc(N2CCN(C3CCCCC3)CC2)c(C#N)c1C ZINC000152434480 188018560 /nfs/dbraw/zinc/01/85/60/188018560.db2.gz WTGARQMBOXYDMC-UHFFFAOYSA-N 0 3 299.422 2.420 20 30 CEEDHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc(C#N)cc1 ZINC000156470629 188263897 /nfs/dbraw/zinc/26/38/97/188263897.db2.gz FZLACXWSXYKHFB-UHFFFAOYSA-N 0 3 297.358 2.355 20 30 CEEDHN C=CCOc1ccc(CN(C)[C@H]2CCOC2)cc1OC ZINC000132117782 366119664 /nfs/dbraw/zinc/11/96/64/366119664.db2.gz CSYKGTLSMAOVSL-AWEZNQCLSA-N 0 3 277.364 2.481 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)[C@H](C)N1CCCCCC1 ZINC000074222989 363310895 /nfs/dbraw/zinc/31/08/95/363310895.db2.gz XJTDLYYZGBBJPK-KGLIPLIRSA-N 0 3 265.401 2.259 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1 ZINC000074272447 363319284 /nfs/dbraw/zinc/31/92/84/363319284.db2.gz SDWSTWABHCJFQG-AWEZNQCLSA-N 0 3 272.352 2.164 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC1)C(C)C ZINC000074453777 363341972 /nfs/dbraw/zinc/34/19/72/363341972.db2.gz JKRXUGXTWHHMPI-OAHLLOKOSA-N 0 3 279.428 2.490 20 30 CEEDHN C=CCCN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000133137809 366198892 /nfs/dbraw/zinc/19/88/92/366198892.db2.gz CQAMXUJGUOUEDP-UHFFFAOYSA-N 0 3 265.788 2.429 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)NCCN1CCCCC1 ZINC000338157566 366215974 /nfs/dbraw/zinc/21/59/74/366215974.db2.gz VWGMNHUZEPVRHD-UHFFFAOYSA-N 0 3 271.364 2.082 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC(N3CCCCC3=O)CC2)C1 ZINC000336376041 283058528 /nfs/dbraw/zinc/05/85/28/283058528.db2.gz RUYQPPIXKIICLD-HIFRSBDPSA-N 0 3 275.396 2.156 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2COc3ccc(F)cc3C2)C1 ZINC000343918617 283058852 /nfs/dbraw/zinc/05/88/52/283058852.db2.gz BIAJPSPUUNSZJV-HONMWMINSA-N 0 3 260.312 2.411 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1C[C@@H](C)C[C@H]1CC ZINC000075022564 363435390 /nfs/dbraw/zinc/43/53/90/363435390.db2.gz XBRFLPKCMLGRKE-UONOGXRCSA-N 0 3 250.386 2.307 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000333244103 283066533 /nfs/dbraw/zinc/06/65/33/283066533.db2.gz FJHNKHCIRYVDOR-GZBFAFLISA-N 0 3 275.396 2.202 20 30 CEEDHN N#Cc1cccc(CCN[C@H]2CCn3ccnc32)c1 ZINC000569901323 299224316 /nfs/dbraw/zinc/22/43/16/299224316.db2.gz ADCBOXGPCDOMPN-AWEZNQCLSA-N 0 3 252.321 2.032 20 30 CEEDHN N#Cc1ccc(CN2CCN([C@@H]3CCSC3)CC2)cc1 ZINC000365877687 283140702 /nfs/dbraw/zinc/14/07/02/283140702.db2.gz XSBYAKMGBSHXNE-MRXNPFEDSA-N 0 3 287.432 2.181 20 30 CEEDHN C=CCNC(=O)CN1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000134263498 366304067 /nfs/dbraw/zinc/30/40/67/366304067.db2.gz HXUWZFBWLFDLCV-OAHLLOKOSA-N 0 3 272.392 2.414 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2cnc3cnccc3c2)CCN1C ZINC000328651672 538850944 /nfs/dbraw/zinc/85/09/44/538850944.db2.gz JROYVOXAITXSHA-RISCZKNCSA-N 0 3 284.363 2.417 20 30 CEEDHN COc1ccc(CN2CC[C@@H](c3cnn(C)c3)C2)cc1C#N ZINC000135084642 366394802 /nfs/dbraw/zinc/39/48/02/366394802.db2.gz VYQOJJJSDYFSDP-CQSZACIVSA-N 0 3 296.374 2.290 20 30 CEEDHN CCOC[C@H]1CCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000135120645 366397890 /nfs/dbraw/zinc/39/78/90/366397890.db2.gz DIEXAAILAQYWCF-AWEZNQCLSA-N 0 3 274.364 2.425 20 30 CEEDHN COc1ccc(CN[C@H](C)CC(C)(C)O)cc1C#N ZINC000294925278 199252152 /nfs/dbraw/zinc/25/21/52/199252152.db2.gz BEQXIXLSBPEJOO-LLVKDONJSA-N 0 3 262.353 2.206 20 30 CEEDHN CCN(Cc1cnc2c(C#N)cnn2c1)[C@H](C)C(C)C ZINC000578359651 366483341 /nfs/dbraw/zinc/48/33/41/366483341.db2.gz PGKPHDLOIGMVQI-GFCCVEGCSA-N 0 3 271.368 2.467 20 30 CEEDHN CC[C@H](NCC#CCOC)c1ccc(OC)c(OC)c1 ZINC000671706076 540488030 /nfs/dbraw/zinc/48/80/30/540488030.db2.gz IZVIYXRDKJGKCI-AWEZNQCLSA-N 0 3 277.364 2.394 20 30 CEEDHN C=CCOCCN1CCC[C@H](C(=O)N[C@H](C)CCC)C1 ZINC000338945280 366582400 /nfs/dbraw/zinc/58/24/00/366582400.db2.gz VGXYDYDZZVZRPN-CABCVRRESA-N 0 3 282.428 2.206 20 30 CEEDHN CN(CCCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000080644666 363676434 /nfs/dbraw/zinc/67/64/34/363676434.db2.gz IIHQJVGKLBSMTJ-LBPRGKRZSA-N 0 3 267.373 2.231 20 30 CEEDHN C#CCOc1ccccc1CN[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000151120929 366623020 /nfs/dbraw/zinc/62/30/20/366623020.db2.gz SXGVCAGKDLANBU-ZBFHGGJFSA-N 0 3 284.403 2.413 20 30 CEEDHN C=CCOc1cccc(CNC[C@]2(O)CCSC2)c1 ZINC000176749775 189007485 /nfs/dbraw/zinc/00/74/85/189007485.db2.gz AAUBXKJLTYBCJV-OAHLLOKOSA-N 0 3 279.405 2.209 20 30 CEEDHN CCOC[C@@H]1CCN(CCOc2ccc(C#N)cc2)C1 ZINC000081521446 363725190 /nfs/dbraw/zinc/72/51/90/363725190.db2.gz NNWSHLCQJQNFLW-OAHLLOKOSA-N 0 3 274.364 2.295 20 30 CEEDHN N#Cc1cccc(CN2CCS[C@H]3COCC[C@@H]32)c1 ZINC000178581938 189128740 /nfs/dbraw/zinc/12/87/40/189128740.db2.gz YFVMOKHTVHFUNW-GJZGRUSLSA-N 0 3 274.389 2.265 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000675197230 540816014 /nfs/dbraw/zinc/81/60/14/540816014.db2.gz LYGCFKVDJLTYIF-AWEZNQCLSA-N 0 3 267.417 2.468 20 30 CEEDHN C#CCOc1ccc(CN2CCCO[C@H](C)C2)cc1 ZINC000179398697 189190910 /nfs/dbraw/zinc/19/09/10/189190910.db2.gz RPJKVMRMUAGIJZ-CQSZACIVSA-N 0 3 259.349 2.309 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cc(CC)ccn2)CC1 ZINC000180178925 189241314 /nfs/dbraw/zinc/24/13/14/189241314.db2.gz RRBZXLSVDNMYQF-UHFFFAOYSA-N 0 3 287.407 2.414 20 30 CEEDHN C=CCNC(=O)CN[C@@H](Cc1cccc(C)c1)C1CC1 ZINC000180037865 189234095 /nfs/dbraw/zinc/23/40/95/189234095.db2.gz FEKHMZIAHXBYCD-INIZCTEOSA-N 0 3 272.392 2.208 20 30 CEEDHN COCC#CCN1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000677817410 541045736 /nfs/dbraw/zinc/04/57/36/541045736.db2.gz LHSCYEJXXPPCDA-UHFFFAOYSA-N 0 3 286.419 2.233 20 30 CEEDHN COCC#CCN1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000677817697 541046355 /nfs/dbraw/zinc/04/63/55/541046355.db2.gz POUGVZSYZYYHES-HNNXBMFYSA-N 0 3 261.340 2.340 20 30 CEEDHN CC#CCN(Cc1ccccc1)C[C@]1(O)CCO[C@H]1C ZINC000579914080 366719176 /nfs/dbraw/zinc/71/91/76/366719176.db2.gz NZAJSQSYNCYZNH-DOTOQJQBSA-N 0 3 273.376 2.052 20 30 CEEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)C(C)(C)C#N ZINC000154123487 366757247 /nfs/dbraw/zinc/75/72/47/366757247.db2.gz MUEAUVBUQCFTMH-CYBMUJFWSA-N 0 3 265.401 2.163 20 30 CEEDHN COc1ccc(CN2CC[C@@H](O)CC23CCC3)cc1C#N ZINC000581601342 366799260 /nfs/dbraw/zinc/79/92/60/366799260.db2.gz SSUJLWARHARMSH-OAHLLOKOSA-N 0 3 286.375 2.446 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)SC)CC1 ZINC000155720550 366821061 /nfs/dbraw/zinc/82/10/61/366821061.db2.gz JIDMPHYWQPUWGO-GFCCVEGCSA-N 0 3 285.457 2.078 20 30 CEEDHN C[C@@H]1CCC[C@H](N(C)CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000026471992 361641826 /nfs/dbraw/zinc/64/18/26/361641826.db2.gz BWBGVXYUWRHMFC-INWMFGNUSA-N 0 3 277.412 2.305 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN([C@H]2CCOC2)CC1 ZINC000678718634 541166346 /nfs/dbraw/zinc/16/63/46/541166346.db2.gz JBIYQMMFYQNUCH-CABCVRRESA-N 0 3 252.402 2.138 20 30 CEEDHN C=CC[C@H](CO)CNCc1ncccc1C(F)(F)F ZINC000678732271 541167550 /nfs/dbraw/zinc/16/75/50/541167550.db2.gz KGQZIGJCFPFFEW-JTQLQIEISA-N 0 3 274.286 2.375 20 30 CEEDHN C=C(C)[C@H](CO)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000678761411 541169692 /nfs/dbraw/zinc/16/96/92/541169692.db2.gz DVLIUWMZXMOWQF-BBRMVZONSA-N 0 3 288.391 2.401 20 30 CEEDHN C=C(C)CN(C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000679245995 541235343 /nfs/dbraw/zinc/23/53/43/541235343.db2.gz UDVCUGFEKXNPFH-INIZCTEOSA-N 0 3 287.407 2.328 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C)[C@@H](F)C2)CC1 ZINC000679295384 541246528 /nfs/dbraw/zinc/24/65/28/541246528.db2.gz PQYMXURDOQOOBJ-OCCSQVGLSA-N 0 3 283.391 2.026 20 30 CEEDHN C=CCOCCNCc1cn(-c2ccccc2)nc1C ZINC000679487079 541279697 /nfs/dbraw/zinc/27/96/97/541279697.db2.gz WZUKJOODQUUYLK-UHFFFAOYSA-N 0 3 271.364 2.473 20 30 CEEDHN COc1ccccc1C[C@@H](C)N(C)C(=O)C(C)C#N ZINC000088202913 363881640 /nfs/dbraw/zinc/88/16/40/363881640.db2.gz AGGPXEROANCIKP-VXGBXAGGSA-N 0 3 260.337 2.244 20 30 CEEDHN CN(CCOCC1CC1)CCOc1ccc(C#N)cc1 ZINC000088558580 363907920 /nfs/dbraw/zinc/90/79/20/363907920.db2.gz XKAKLYANXALUNX-UHFFFAOYSA-N 0 3 274.364 2.295 20 30 CEEDHN CCCCN(CCO)Cc1ccc(OC)c(C#N)c1 ZINC000087832769 363872190 /nfs/dbraw/zinc/87/21/90/363872190.db2.gz XNGCXJGHFWKFMN-UHFFFAOYSA-N 0 3 262.353 2.161 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(Oc2cc(C)ccn2)CC1 ZINC000679865809 541328284 /nfs/dbraw/zinc/32/82/84/541328284.db2.gz FPLYHHPLYPGDOQ-OAHLLOKOSA-N 0 3 276.380 2.170 20 30 CEEDHN CCN1CCC[C@@H]1CNc1snc(C)c1C#N ZINC000092912262 364114479 /nfs/dbraw/zinc/11/44/79/364114479.db2.gz VDVYXTPTUALUHP-SNVBAGLBSA-N 0 3 250.371 2.219 20 30 CEEDHN N#Cc1csc(CN(CCCCO)C2CC2)c1 ZINC000093383325 364173609 /nfs/dbraw/zinc/17/36/09/364173609.db2.gz HUWWYLQMRDNLQN-UHFFFAOYSA-N 0 3 250.367 2.357 20 30 CEEDHN COCCOC[C@@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000093755568 364222851 /nfs/dbraw/zinc/22/28/51/364222851.db2.gz DFZARXOSAVVINC-GFCCVEGCSA-N 0 3 280.393 2.105 20 30 CEEDHN N#Cc1csc(CNCC2(O)CCCCC2)c1 ZINC000093492587 364191280 /nfs/dbraw/zinc/19/12/80/364191280.db2.gz GXHWUKJRAOSBOB-UHFFFAOYSA-N 0 3 250.367 2.405 20 30 CEEDHN CCN1CCC(N(C)c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000094593063 364281150 /nfs/dbraw/zinc/28/11/50/364281150.db2.gz FGUPNKDNNXWIKQ-UHFFFAOYSA-N 0 3 288.351 2.387 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCc3occc32)CC1 ZINC000098093207 364530544 /nfs/dbraw/zinc/53/05/44/364530544.db2.gz OTRPNNUSMWYQNH-HNNXBMFYSA-N 0 3 286.375 2.118 20 30 CEEDHN CC[C@](C)(CO)NC1CC(C#N)(c2ccccc2)C1 ZINC000158482313 366856928 /nfs/dbraw/zinc/85/69/28/366856928.db2.gz GCYXWXPYVOICPG-HWOWSKLDSA-N 0 3 258.365 2.361 20 30 CEEDHN C[C@@]1(C(=O)N2CCC(CCC#N)CC2)CCCCN1 ZINC000335420059 364711582 /nfs/dbraw/zinc/71/15/82/364711582.db2.gz WRDKQUVLAGAPFA-HNNXBMFYSA-N 0 3 263.385 2.061 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(COC)CC1 ZINC000112354710 364798438 /nfs/dbraw/zinc/79/84/38/364798438.db2.gz LCWZZLCZYIJUST-AWEZNQCLSA-N 0 3 282.428 2.158 20 30 CEEDHN C[C@H]1[C@H](CO)CCCN1Cc1ccc(C#N)s1 ZINC000335632219 212346647 /nfs/dbraw/zinc/34/66/47/212346647.db2.gz DMPLPGCRNFHWLC-QWRGUYRKSA-N 0 3 250.367 2.213 20 30 CEEDHN CCN1CCC(N(C)C(=O)c2sccc2C#N)CC1 ZINC000335476451 364784750 /nfs/dbraw/zinc/78/47/50/364784750.db2.gz VOXBDIYVBUOGET-UHFFFAOYSA-N 0 3 277.393 2.176 20 30 CEEDHN Cn1cc(CN2CCC[C@]3(CCCOC3)C2)cc1C#N ZINC000335745548 364920440 /nfs/dbraw/zinc/92/04/40/364920440.db2.gz STPUOUCSGWSBJX-INIZCTEOSA-N 0 3 273.380 2.289 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000680427306 541411741 /nfs/dbraw/zinc/41/17/41/541411741.db2.gz RVFSJJIWXUGCGO-HLSYRSCKSA-N 0 3 261.365 2.466 20 30 CEEDHN C=CCN(Cc1cccc(NS(C)(=O)=O)c1)C1CC1 ZINC000680481276 541417401 /nfs/dbraw/zinc/41/74/01/541417401.db2.gz BECHJHPCVLMOGW-UHFFFAOYSA-N 0 3 280.393 2.209 20 30 CEEDHN C=CC[C@H](CO)NCc1c[nH]nc1-c1ccc(F)cc1 ZINC000680485225 541418418 /nfs/dbraw/zinc/41/84/18/541418418.db2.gz VWXVGWABFOUEKF-CQSZACIVSA-N 0 3 275.327 2.242 20 30 CEEDHN C=CC[C@H](CO)NCc1ncccc1C(F)(F)F ZINC000680485263 541418910 /nfs/dbraw/zinc/41/89/10/541418910.db2.gz XGAUQSLHKMJSNC-SECBINFHSA-N 0 3 260.259 2.127 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@H](C(C)C)CC1 ZINC000114728955 364962048 /nfs/dbraw/zinc/96/20/48/364962048.db2.gz UQFKTKUXLDINCL-UONOGXRCSA-N 0 3 252.402 2.435 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CCC[C@H]1c1ccc(C)s1 ZINC000114732255 364962361 /nfs/dbraw/zinc/96/23/61/364962361.db2.gz CTLBDKQAAFBSQU-STQMWFEESA-N 0 3 276.405 2.331 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)C1CC1)C(C)C ZINC000114931473 364974626 /nfs/dbraw/zinc/97/46/26/364974626.db2.gz BTFHGWINOQOXRT-OAHLLOKOSA-N 0 3 279.428 2.489 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)/C=C/c1cccc(C#N)c1 ZINC000115432815 365005164 /nfs/dbraw/zinc/00/51/64/365005164.db2.gz NHQQYIHMPPSMCA-KBOKABMXSA-N 0 3 297.402 2.372 20 30 CEEDHN C=CC[C@@H](C)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000117039968 365088576 /nfs/dbraw/zinc/08/85/76/365088576.db2.gz KWHHLLPIQKUUSK-ZIAGYGMSSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CC[C@@H](C)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000117032176 365089179 /nfs/dbraw/zinc/08/91/79/365089179.db2.gz QXDBBOMXXQMXMA-OLZOCXBDSA-N 0 3 253.390 2.125 20 30 CEEDHN CC[C@@H]1CCCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000117345467 365105048 /nfs/dbraw/zinc/10/50/48/365105048.db2.gz ZMAFNLYAHUTWFU-OAHLLOKOSA-N 0 3 290.411 2.154 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(N2CCNC2=O)CC1 ZINC000118393846 365154430 /nfs/dbraw/zinc/15/44/30/365154430.db2.gz SGXTXCBJGMVGTM-ZDUSSCGKSA-N 0 3 298.390 2.109 20 30 CEEDHN CC(C)CN1CCCC[C@H]1CNc1nccnc1C#N ZINC000119060387 365209320 /nfs/dbraw/zinc/20/93/20/365209320.db2.gz SCOTYYUILUKKSM-ZDUSSCGKSA-N 0 3 273.384 2.271 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC[C@H](CC(C)C)C1 ZINC000119261347 365243617 /nfs/dbraw/zinc/24/36/17/365243617.db2.gz HBWCDJJBIPKLCB-UONOGXRCSA-N 0 3 252.402 2.435 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)C[C@@H]1CSCCN1 ZINC000638875481 370814387 /nfs/dbraw/zinc/81/43/87/370814387.db2.gz VCSVEGJXNMLZFF-GFCCVEGCSA-N 0 3 270.442 2.190 20 30 CEEDHN C=CCC[C@@H](O)CN(CC)CCc1nccs1 ZINC000159198275 366887539 /nfs/dbraw/zinc/88/75/39/366887539.db2.gz KTFYHINLJRVXPW-GFCCVEGCSA-N 0 3 254.399 2.335 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)[C@H]1CC[C@H](O)CC1 ZINC000275765480 193122885 /nfs/dbraw/zinc/12/28/85/193122885.db2.gz AEAYXQDWOQTEGY-SHTZXODSSA-N 0 3 274.364 2.302 20 30 CEEDHN CN(C)C1(CNC(=O)Nc2cccc(C#N)c2)CCC1 ZINC000275691638 193106804 /nfs/dbraw/zinc/10/68/04/193106804.db2.gz WGHMTGZEOODAFK-UHFFFAOYSA-N 0 3 272.352 2.164 20 30 CEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C#N)s2)C1 ZINC000336109409 365420316 /nfs/dbraw/zinc/42/03/16/365420316.db2.gz XEANARBTHDJLHE-YPMHNXCESA-N 0 3 289.404 2.176 20 30 CEEDHN N#Cc1csc(CN[C@@H]2CCN(c3ccccn3)C2)c1 ZINC000120627712 365452164 /nfs/dbraw/zinc/45/21/64/365452164.db2.gz PCFPWFBKBUNBKO-CYBMUJFWSA-N 0 3 284.388 2.383 20 30 CEEDHN C=CCCOCC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000681145391 541512949 /nfs/dbraw/zinc/51/29/49/541512949.db2.gz FWWCHIVBGMIBNY-PBHICJAKSA-N 0 3 290.407 2.387 20 30 CEEDHN CCN(Cc1cnc2c(C#N)cnn2c1)C1CCCC1 ZINC000572405422 299365728 /nfs/dbraw/zinc/36/57/28/299365728.db2.gz GNIXPQRFSDNGEE-UHFFFAOYSA-N 0 3 269.352 2.365 20 30 CEEDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1sccc1C#N ZINC000160522792 367013372 /nfs/dbraw/zinc/01/33/72/367013372.db2.gz BNLVMCFAVLXWRM-CYBMUJFWSA-N 0 3 291.420 2.470 20 30 CEEDHN Cc1cc(CN2C[C@H](C)C[C@H](CO)C2)ccc1C#N ZINC000335557380 212263547 /nfs/dbraw/zinc/26/35/47/212263547.db2.gz VHACCBNAAQTKCF-DOMZBBRYSA-N 0 3 258.365 2.317 20 30 CEEDHN C[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)[C@@H]2CCCC[C@@H]12 ZINC000584107578 367142204 /nfs/dbraw/zinc/14/22/04/367142204.db2.gz VHYKQIKFBJYSRK-LXTVHRRPSA-N 0 3 277.412 2.435 20 30 CEEDHN CCC[C@H](C#N)NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000583858887 367106206 /nfs/dbraw/zinc/10/62/06/367106206.db2.gz YXADQIMGADVQSB-FVCCEPFGSA-N 0 3 251.374 2.056 20 30 CEEDHN N#Cc1ccc(C(=O)N[C@H]2CCN(CC3CCCC3)C2)o1 ZINC000341121123 367183018 /nfs/dbraw/zinc/18/30/18/367183018.db2.gz IBEWDJVFSIFFRR-ZDUSSCGKSA-N 0 3 287.363 2.146 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000245530194 370833175 /nfs/dbraw/zinc/83/31/75/370833175.db2.gz SCMQGULFBIZYJT-UONOGXRCSA-N 0 3 267.417 2.324 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNc1nccnc1C#N ZINC000341129409 367186761 /nfs/dbraw/zinc/18/67/61/367186761.db2.gz QBKSQVDIILMPTF-TXEJJXNPSA-N 0 3 259.357 2.023 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)NCC(C)(C)CCC#N ZINC000588622962 367194380 /nfs/dbraw/zinc/19/43/80/367194380.db2.gz CRKKYOCDBZNDBX-CQSZACIVSA-N 0 3 294.443 2.490 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000590931311 367199993 /nfs/dbraw/zinc/19/99/93/367199993.db2.gz FVTWPYHBSDKJLO-KKUMJFAQSA-N 0 3 292.427 2.242 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H](C)[C@H]1CCOC1 ZINC000163106609 367218100 /nfs/dbraw/zinc/21/81/00/367218100.db2.gz KHMYJWMDJHUCRC-FZMZJTMJSA-N 0 3 260.337 2.081 20 30 CEEDHN C=CCCN(C)C(=O)NCCN1CCCC[C@@H]1CC ZINC000342449486 367409329 /nfs/dbraw/zinc/40/93/29/367409329.db2.gz AJQPLVNWDFCITL-AWEZNQCLSA-N 0 3 267.417 2.468 20 30 CEEDHN Cn1cncc1CNCCSCc1ccccc1C#N ZINC000171131569 367484779 /nfs/dbraw/zinc/48/47/79/367484779.db2.gz LUMQCXUSJLEHRI-UHFFFAOYSA-N 0 3 286.404 2.315 20 30 CEEDHN COC(=O)[C@@H](C)CN(Cc1cccc(C#N)c1)C1CC1 ZINC000171301103 367518704 /nfs/dbraw/zinc/51/87/04/367518704.db2.gz PJVDNARHCCQHOX-LBPRGKRZSA-N 0 3 272.348 2.332 20 30 CEEDHN CC#CCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000342769988 367524835 /nfs/dbraw/zinc/52/48/35/367524835.db2.gz DSABLHQYZMIOIV-UHFFFAOYSA-N 0 3 299.418 2.146 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(C)ccc2O)CC1 ZINC000171566241 367568212 /nfs/dbraw/zinc/56/82/12/367568212.db2.gz ZGVIFIXPOQIIGY-UHFFFAOYSA-N 0 3 274.364 2.081 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccc(N(C)C)c2)CC1 ZINC000171566309 367568634 /nfs/dbraw/zinc/56/86/34/367568634.db2.gz TWWDHYOQPFSMPP-UHFFFAOYSA-N 0 3 287.407 2.133 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H](n3cncn3)C2)cc1 ZINC000681628141 541573004 /nfs/dbraw/zinc/57/30/04/541573004.db2.gz AVLSYGARLZCEDK-OAHLLOKOSA-N 0 3 284.363 2.290 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C/c2ccco2)CC1 ZINC000171724911 367603591 /nfs/dbraw/zinc/60/35/91/367603591.db2.gz XEMQUBLHVYWPAK-AATRIKPKSA-N 0 3 260.337 2.059 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C#N)c(C)n2)CC1 ZINC000171728999 367604078 /nfs/dbraw/zinc/60/40/78/367604078.db2.gz WBKJMPKWDQDCSW-UHFFFAOYSA-N 0 3 298.390 2.032 20 30 CEEDHN CC[C@@H](C)N[C@@H](CNc1nccnc1C#N)c1ccco1 ZINC000343279979 367741035 /nfs/dbraw/zinc/74/10/35/367741035.db2.gz YQNSGSMJRNCKHZ-YPMHNXCESA-N 0 3 285.351 2.483 20 30 CEEDHN C=CCC(CC=C)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000343619796 367921336 /nfs/dbraw/zinc/92/13/36/367921336.db2.gz ZYCUYSJZQDTJSL-HNNXBMFYSA-N 0 3 282.453 2.308 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@@H]1CCCOC1 ZINC000174147808 367989087 /nfs/dbraw/zinc/98/90/87/367989087.db2.gz GHXWSKNUTMAUHK-CABCVRRESA-N 0 3 282.428 2.158 20 30 CEEDHN N#Cc1ccc(OCCNCc2cccc3c2OCO3)cc1 ZINC000174559046 368041002 /nfs/dbraw/zinc/04/10/02/368041002.db2.gz RSGTWIQDQYLAFP-UHFFFAOYSA-N 0 3 296.326 2.456 20 30 CEEDHN CC(C#N)C(=O)N1CCC(=O)C[C@@H]1c1ccccc1 ZINC000633166324 368088063 /nfs/dbraw/zinc/08/80/63/368088063.db2.gz VQPDFIXCCYKZGQ-SMDDNHRTSA-N 0 3 256.305 2.079 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)NC[C@H](C)N(C)C ZINC000633286979 368170055 /nfs/dbraw/zinc/17/00/55/368170055.db2.gz HBHYHGIUROKPOA-LBPRGKRZSA-N 0 3 255.406 2.228 20 30 CEEDHN C=CCNC(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000180515326 368384763 /nfs/dbraw/zinc/38/47/63/368384763.db2.gz OISSMWJMIYHOAI-VIFPVBQESA-N 0 3 290.273 2.341 20 30 CEEDHN N#CCNC(=O)CN[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000181015158 368413234 /nfs/dbraw/zinc/41/32/34/368413234.db2.gz AOBGRPIOPQHJDV-MRXNPFEDSA-N 0 3 289.354 2.286 20 30 CEEDHN Cc1ccc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000180873400 368401007 /nfs/dbraw/zinc/40/10/07/368401007.db2.gz ANNHQMAQGBMMHC-WPCFGXOUSA-N 0 3 299.374 2.172 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000682360268 541653087 /nfs/dbraw/zinc/65/30/87/541653087.db2.gz SZDLCHMPADFHHS-DZGCQCFKSA-N 0 3 250.386 2.189 20 30 CEEDHN C[C@H](CCS(C)(=O)=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000181908212 368505603 /nfs/dbraw/zinc/50/56/03/368505603.db2.gz PIKLLHCEYPQMJK-NEPJUHHUSA-N 0 3 280.393 2.032 20 30 CEEDHN Cc1noc(CCN[C@@H](C)c2cccc(C#N)c2)n1 ZINC000181927537 368507126 /nfs/dbraw/zinc/50/71/26/368507126.db2.gz DDJPVMNBAOFBAT-JTQLQIEISA-N 0 3 256.309 2.143 20 30 CEEDHN CC(C)COC[C@H](O)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346196775 368588881 /nfs/dbraw/zinc/58/88/81/368588881.db2.gz QOCIUECQKMNJBP-IUODEOHRSA-N 0 3 294.370 2.381 20 30 CEEDHN CC[C@H](CC#N)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000183940957 368659811 /nfs/dbraw/zinc/65/98/11/368659811.db2.gz SYHYQPKLMBDEMC-CHWSQXEVSA-N 0 3 251.374 2.059 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N(C)CCN(C)C1CC1 ZINC000184538492 368701468 /nfs/dbraw/zinc/70/14/68/368701468.db2.gz NHGKNPFDBJMADF-UHFFFAOYSA-N 0 3 286.379 2.425 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000347723061 368816735 /nfs/dbraw/zinc/81/67/35/368816735.db2.gz LKCSPVNPGHUFAW-NXEZZACHSA-N 0 3 266.728 2.383 20 30 CEEDHN COCC1=CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000185849903 368872566 /nfs/dbraw/zinc/87/25/66/368872566.db2.gz CYYZPTBCKVEQEU-UHFFFAOYSA-N 0 3 299.374 2.165 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@H]1CCCOC1 ZINC000348143664 368917837 /nfs/dbraw/zinc/91/78/37/368917837.db2.gz PZXPNDPHJAOISV-JSGCOSHPSA-N 0 3 274.364 2.472 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000186300426 368953285 /nfs/dbraw/zinc/95/32/85/368953285.db2.gz UBHZYZFVKYWSDB-CABCVRRESA-N 0 3 282.428 2.348 20 30 CEEDHN CCO[C@H]1C[C@](CO)(NCc2ccc(C#N)cc2)C1(C)C ZINC000186578631 368998494 /nfs/dbraw/zinc/99/84/94/368998494.db2.gz AWBVFDGNKDQRND-DOTOQJQBSA-N 0 3 288.391 2.214 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1sc(CCOC)nc1C ZINC000186687175 369020180 /nfs/dbraw/zinc/02/01/80/369020180.db2.gz GXVMGYPQBNBDJY-PWSUYJOCSA-N 0 3 284.425 2.228 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1cc(OC)ccc1OC ZINC000186695362 369022771 /nfs/dbraw/zinc/02/27/71/369022771.db2.gz UIARLWSLHPFCGB-NWDGAFQWSA-N 0 3 265.353 2.291 20 30 CEEDHN CCC[C@@H](C)N1CCN(c2ncccc2C#N)CC1 ZINC000186702651 369023791 /nfs/dbraw/zinc/02/37/91/369023791.db2.gz XOYYVFBAXWSVES-CYBMUJFWSA-N 0 3 258.369 2.264 20 30 CEEDHN CN(CC#Cc1ccc(F)cc1)CCN(C)C1CC1 ZINC000186769218 369038992 /nfs/dbraw/zinc/03/89/92/369038992.db2.gz JGYLSPZYVCEJLI-UHFFFAOYSA-N 0 3 260.356 2.203 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC(F)(F)F)cc1 ZINC000348299549 368990631 /nfs/dbraw/zinc/99/06/31/368990631.db2.gz YFFAFJVCZCFNJY-GFCCVEGCSA-N 0 3 295.264 2.309 20 30 CEEDHN C=CCN1CC[C@H](N[C@@H]2CCC[C@@H]2SCC)C1=O ZINC000348467262 369055221 /nfs/dbraw/zinc/05/52/21/369055221.db2.gz IBJNKYNJFPVWBZ-AGIUHOORSA-N 0 3 268.426 2.037 20 30 CEEDHN CCS[C@@H]1CCC[C@@H]1NCC(=O)N[C@](C)(C#N)C(C)C ZINC000348475312 369056794 /nfs/dbraw/zinc/05/67/94/369056794.db2.gz DMHDBXZEHODAEH-GZBFAFLISA-N 0 3 297.468 2.305 20 30 CEEDHN N#Cc1ccc(Cl)c(C(=O)NCCN2CCCC2)c1 ZINC000348667546 369117437 /nfs/dbraw/zinc/11/74/37/369117437.db2.gz XOMWUMBPMSBSBF-UHFFFAOYSA-N 0 3 277.755 2.037 20 30 CEEDHN C#CCSCCNCc1ccc2c(c1)CCC(=O)N2C ZINC000187257891 369129322 /nfs/dbraw/zinc/12/93/22/369129322.db2.gz DFEHEZSADYOJHU-UHFFFAOYSA-N 0 3 288.416 2.052 20 30 CEEDHN CCn1cc(CCN2CCC(CCC#N)CC2)cn1 ZINC000574316006 335008457 /nfs/dbraw/zinc/00/84/57/335008457.db2.gz CIGLBRLDOANSAT-UHFFFAOYSA-N 0 3 260.385 2.461 20 30 CEEDHN CC[C@@]1(CO)CCCN(CCOc2cccc(C#N)c2)C1 ZINC000187575426 369181153 /nfs/dbraw/zinc/18/11/53/369181153.db2.gz JJVSTURPKJZYLH-QGZVFWFLSA-N 0 3 288.391 2.422 20 30 CEEDHN CC[C@]1(CO)CCCN(CCOc2cccc(C#N)c2)C1 ZINC000187575405 369181740 /nfs/dbraw/zinc/18/17/40/369181740.db2.gz JJVSTURPKJZYLH-KRWDZBQOSA-N 0 3 288.391 2.422 20 30 CEEDHN N#CC(C(=O)c1cc(=O)[nH]c(C2CC2)c1)c1ccccn1 ZINC000187475176 369166400 /nfs/dbraw/zinc/16/64/00/369166400.db2.gz KKCJGMSWPAHUCH-GFCCVEGCSA-N 0 3 279.299 2.137 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H](C)OC)C(C)C ZINC000276080076 193207342 /nfs/dbraw/zinc/20/73/42/193207342.db2.gz UKXFKXTVOIVDCW-HUUCEWRRSA-N 0 3 297.443 2.019 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2ccc3c(c2)OCCO3)C1 ZINC000349814969 369407913 /nfs/dbraw/zinc/40/79/13/369407913.db2.gz YANQYXNJCVLXBQ-AAEUAGOBSA-N 0 3 258.321 2.240 20 30 CEEDHN COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(OC)c1 ZINC000349829961 369414337 /nfs/dbraw/zinc/41/43/37/369414337.db2.gz PTTMBYSXIDCUFF-WCQYABFASA-N 0 3 260.337 2.486 20 30 CEEDHN COc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(OC)c1 ZINC000349829959 369414358 /nfs/dbraw/zinc/41/43/58/369414358.db2.gz PTTMBYSXIDCUFF-AAEUAGOBSA-N 0 3 260.337 2.486 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000349878270 369434642 /nfs/dbraw/zinc/43/46/42/369434642.db2.gz VQISWKRIMITNRW-GZBFAFLISA-N 0 3 265.401 2.305 20 30 CEEDHN C=CCc1cc(CN[C@H]2C[C@@H](O)C2(C)C)cc(OC)c1O ZINC000189335351 369500305 /nfs/dbraw/zinc/50/03/05/369500305.db2.gz QUURRTGWYHMFHX-LSDHHAIUSA-N 0 3 291.391 2.378 20 30 CEEDHN C=C[C@H](C)NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000350461666 369536742 /nfs/dbraw/zinc/53/67/42/369536742.db2.gz WLRWKJGNKCLFRX-GOEBONIOSA-N 0 3 287.407 2.382 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)CCc2ccc(C#N)cc2)CCN1C ZINC000330902781 203372621 /nfs/dbraw/zinc/37/26/21/203372621.db2.gz LHDFBZVMLAGBOL-BBRMVZONSA-N 0 3 285.391 2.090 20 30 CEEDHN COc1cccc(CNCc2cc(C#N)n(C)c2)c1 ZINC000189587756 369543648 /nfs/dbraw/zinc/54/36/48/369543648.db2.gz WYPXZGSOOZSQBE-UHFFFAOYSA-N 0 3 255.321 2.195 20 30 CEEDHN CCCCCCCCCN1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192668975 369841028 /nfs/dbraw/zinc/84/10/28/369841028.db2.gz OXKDQJCQGQNNRI-MRXNPFEDSA-N 0 3 295.427 2.411 20 30 CEEDHN C[C@@H](CNCc1nc(C#N)cs1)N1CCC[C@H](C)C1 ZINC000352838588 369904863 /nfs/dbraw/zinc/90/48/63/369904863.db2.gz FVUHVGJZYUCGPN-RYUDHWBXSA-N 0 3 278.425 2.225 20 30 CEEDHN CN(Cc1cc(C#N)ccc1F)C1(CCO)CCOCC1 ZINC000352996942 369976116 /nfs/dbraw/zinc/97/61/16/369976116.db2.gz JPILUHFEZFVWPL-UHFFFAOYSA-N 0 3 292.354 2.061 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNCc1nc(C#N)cs1 ZINC000352862580 369920078 /nfs/dbraw/zinc/92/00/78/369920078.db2.gz OWGLNTKUVGSSGH-LBPRGKRZSA-N 0 3 278.425 2.225 20 30 CEEDHN C=CCCCCCN1CCN(CC(C)(C)O)CC1 ZINC000194359972 370029486 /nfs/dbraw/zinc/02/94/86/370029486.db2.gz ZKCQCTRLLXKCRT-UHFFFAOYSA-N 0 3 254.418 2.121 20 30 CEEDHN C=CC[C@@H](C)NC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637670650 370030438 /nfs/dbraw/zinc/03/04/38/370030438.db2.gz ZPWGNQIDINUMEN-GFCCVEGCSA-N 0 3 291.399 2.236 20 30 CEEDHN Cn1cc(CN[C@H]2CCCc3[nH]c(=O)ccc32)cc1C#N ZINC000276998670 193526697 /nfs/dbraw/zinc/52/66/97/193526697.db2.gz YLZPUFKJSDVORM-AWEZNQCLSA-N 0 3 282.347 2.165 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)NCC ZINC000637947413 370190941 /nfs/dbraw/zinc/19/09/41/370190941.db2.gz XHFPNCLXLUEOEB-GFCCVEGCSA-N 0 3 264.344 2.338 20 30 CEEDHN CC[C@@](C)(CCO)NCc1ccc(C#N)cc1F ZINC000227598914 370374420 /nfs/dbraw/zinc/37/44/20/370374420.db2.gz PPYIXIGKISLADY-AWEZNQCLSA-N 0 3 250.317 2.338 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H](CCO)C(C)C ZINC000230688106 370464457 /nfs/dbraw/zinc/46/44/57/370464457.db2.gz CHFOGVAYEZCNJA-HNNXBMFYSA-N 0 3 261.365 2.195 20 30 CEEDHN C=CC(C)(C)CCNC(=O)[C@@]1(N)C[C@@H](OCC)C1(C)C ZINC000638455149 370543440 /nfs/dbraw/zinc/54/34/40/370543440.db2.gz RUXMTSIICDFUJV-WBMJQRKESA-N 0 3 282.428 2.237 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(C[C@@H](C)O)C1CCCCC1 ZINC000355394593 370556206 /nfs/dbraw/zinc/55/62/06/370556206.db2.gz CVVZSVXFEUQSOH-OAHLLOKOSA-N 0 3 296.455 2.427 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000638474377 370557032 /nfs/dbraw/zinc/55/70/32/370557032.db2.gz LJCJSZWMYYYYGI-ZDUSSCGKSA-N 0 3 270.376 2.371 20 30 CEEDHN C=C(CNC[C@H](OC)[C@H]1CCOC1)c1ccccc1 ZINC000638437787 370530406 /nfs/dbraw/zinc/53/04/06/370530406.db2.gz FVNISPRQLJDWFN-HOTGVXAUSA-N 0 3 261.365 2.341 20 30 CEEDHN N#Cc1cnc(NCCN2CCCCCC2)c([N+](=O)[O-])c1 ZINC000236406514 370588407 /nfs/dbraw/zinc/58/84/07/370588407.db2.gz PHZZEQKYPKHSJE-UHFFFAOYSA-N 0 3 289.339 2.149 20 30 CEEDHN CN(C)CCN(C(=O)c1cc(C#N)ccc1Cl)C1CC1 ZINC000356278753 370639543 /nfs/dbraw/zinc/63/95/43/370639543.db2.gz JXQKEQSNQWNDOQ-UHFFFAOYSA-N 0 3 291.782 2.378 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H]1C[C@H](C)O ZINC000246806140 371014236 /nfs/dbraw/zinc/01/42/36/371014236.db2.gz SZAJJQYIIKWJKW-SOUVJXGZSA-N 0 3 282.428 2.035 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)/C=C/c1cccc(C#N)c1 ZINC000247239133 371082318 /nfs/dbraw/zinc/08/23/18/371082318.db2.gz DGPYUSSGVWVNDL-UBULPXNDSA-N 0 3 297.402 2.370 20 30 CEEDHN C=C(CNC(=O)N(C)CCN1CCCC1)c1ccccc1 ZINC000358598724 371133776 /nfs/dbraw/zinc/13/37/76/371133776.db2.gz ZESVPXWEJRGITI-UHFFFAOYSA-N 0 3 287.407 2.437 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](CC(C)C)C1 ZINC000247618293 371129139 /nfs/dbraw/zinc/12/91/39/371129139.db2.gz NAFASFYKEPEICR-ZIAGYGMSSA-N 0 3 295.427 2.145 20 30 CEEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@@H](C)N1C ZINC000358731754 371196221 /nfs/dbraw/zinc/19/62/21/371196221.db2.gz DDLIEUGFLFJRMV-BFYDXBDKSA-N 0 3 299.418 2.310 20 30 CEEDHN CC[C@@H](C)CN(CC)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000248329926 371174188 /nfs/dbraw/zinc/17/41/88/371174188.db2.gz DIJUFJXZIWKOBT-IUODEOHRSA-N 0 3 265.401 2.163 20 30 CEEDHN C=CCN1CCC(NC(=O)N(CC)CCC)CC1 ZINC000358817140 371234462 /nfs/dbraw/zinc/23/44/62/371234462.db2.gz LYGHEBWSTKFGBT-UHFFFAOYSA-N 0 3 253.390 2.078 20 30 CEEDHN O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2CC#Cc1ccc(Cl)cc1 ZINC000249616055 371348148 /nfs/dbraw/zinc/34/81/48/371348148.db2.gz SULBJMGEUHWRPN-GMBUGEKQSA-N 0 3 287.790 2.393 20 30 CEEDHN CN(C(=O)/C=C\c1cccc(C#N)c1)C1CCN(C)CC1 ZINC000255224592 371568366 /nfs/dbraw/zinc/56/83/66/371568366.db2.gz GEDZZXQPCOKRIN-SREVYHEPSA-N 0 3 283.375 2.124 20 30 CEEDHN C=C(C)[C@@H](CO)N1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639790681 371571438 /nfs/dbraw/zinc/57/14/38/371571438.db2.gz DGRJNMANTVIILJ-GOEBONIOSA-N 0 3 283.375 2.356 20 30 CEEDHN C=CC[C@H]1CCCN([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000639798282 371578725 /nfs/dbraw/zinc/57/87/25/371578725.db2.gz BOTCSBQZUOAHCP-ZFWWWQNUSA-N 0 3 262.397 2.428 20 30 CEEDHN O[C@@H]1C[C@H]2C[C@@H](C1)N(CC#Cc1ccc(F)cc1)C2 ZINC000640075328 371795112 /nfs/dbraw/zinc/79/51/12/371795112.db2.gz GDEFVOMJGUDSQE-VNQPRFMTSA-N 0 3 259.324 2.022 20 30 CEEDHN C=CCN(CCc1ccco1)CCN1CCCOCC1 ZINC000361357845 371802717 /nfs/dbraw/zinc/80/27/17/371802717.db2.gz ZESVDRLYFMMLJH-UHFFFAOYSA-N 0 3 278.396 2.032 20 30 CEEDHN CC(C)(C#N)CCCN1CCC(F)(F)[C@@H](CO)C1 ZINC000361413953 371834273 /nfs/dbraw/zinc/83/42/73/371834273.db2.gz GEDUSSAZOZCMIW-LLVKDONJSA-N 0 3 260.328 2.266 20 30 CEEDHN CN(CC(=O)NCc1cccc(C#N)c1)C[C@@H]1CC=CCC1 ZINC000344058493 217031705 /nfs/dbraw/zinc/03/17/05/217031705.db2.gz KUGBSBPHHFQWDK-OAHLLOKOSA-N 0 3 297.402 2.463 20 30 CEEDHN C=CCCCN1CCN(Cc2ccc(O)cc2)CC1 ZINC000640110965 371821870 /nfs/dbraw/zinc/82/18/70/371821870.db2.gz ZFFFPWAWLSSQRT-UHFFFAOYSA-N 0 3 260.381 2.476 20 30 CEEDHN CN(Cc1ccc(OCC#N)cc1)C[C@H]1CCCO1 ZINC000264535467 371997860 /nfs/dbraw/zinc/99/78/60/371997860.db2.gz GCZXFHYOXJCFBT-OAHLLOKOSA-N 0 3 260.337 2.200 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](c2ccccc2C)C1 ZINC000263691342 371946235 /nfs/dbraw/zinc/94/62/35/371946235.db2.gz JVKQHRZEQKBKSE-CABCVRRESA-N 0 3 272.392 2.475 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2C#N)CCN1C ZINC000266200766 372039568 /nfs/dbraw/zinc/03/95/68/372039568.db2.gz DKSACMBGPOTQOP-YPMHNXCESA-N 0 3 288.351 2.385 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000361777893 372067096 /nfs/dbraw/zinc/06/70/96/372067096.db2.gz YXUDFJFOXBFTPB-HIFRSBDPSA-N 0 3 250.386 2.284 20 30 CEEDHN CSCC[C@H](CO)N[C@@H](C)c1cccc(C#N)c1 ZINC000344305760 217143551 /nfs/dbraw/zinc/14/35/51/217143551.db2.gz VVCUEEBCBOYZBH-SMDDNHRTSA-N 0 3 264.394 2.323 20 30 CEEDHN C=C(C)CCn1cc(-c2cccc(NC(=O)CNC)c2)nn1 ZINC000641069539 372274592 /nfs/dbraw/zinc/27/45/92/372274592.db2.gz KAFLCPAAAJRCBF-UHFFFAOYSA-N 0 3 299.378 2.069 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc2c(c1)OCCCCO2 ZINC000641767515 372705413 /nfs/dbraw/zinc/70/54/13/372705413.db2.gz LNAZOAHJXLXUOF-HNNXBMFYSA-N 0 3 289.375 2.102 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cn(-c2ccccc2)nc1C ZINC000641768650 372709797 /nfs/dbraw/zinc/70/97/97/372709797.db2.gz FIOCHSAILLUHGI-INIZCTEOSA-N 0 3 283.375 2.045 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cc2cc(F)ccc2o1 ZINC000641769617 372711199 /nfs/dbraw/zinc/71/11/99/372711199.db2.gz WEMNMTKSKWJKSU-ZDUSSCGKSA-N 0 3 261.296 2.436 20 30 CEEDHN C=C[C@@H](CC(=O)N(C)CCN(C)C)c1ccccc1 ZINC000270334372 372744721 /nfs/dbraw/zinc/74/47/21/372744721.db2.gz CLADGHROOVEZMR-AWEZNQCLSA-N 0 3 260.381 2.366 20 30 CEEDHN COC[C@@H]1CCN(Cc2ccc(C#N)cc2OC)C1 ZINC000271050527 373092565 /nfs/dbraw/zinc/09/25/65/373092565.db2.gz PQMSTLGDYGCBKO-CYBMUJFWSA-N 0 3 260.337 2.035 20 30 CEEDHN C=CCc1cc(CN(CCO)C2CC2)cc(OC)c1O ZINC000271094972 373114556 /nfs/dbraw/zinc/11/45/56/373114556.db2.gz YKHHEVHGAVQQRL-UHFFFAOYSA-N 0 3 277.364 2.086 20 30 CEEDHN C#CCN(CC)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000271904505 373207536 /nfs/dbraw/zinc/20/75/36/373207536.db2.gz PHQPBOPVCQTABJ-OAHLLOKOSA-N 0 3 287.407 2.172 20 30 CEEDHN C[C@@H](NC[C@@]1(O)CCSC1)c1ccc(C#N)c(F)c1 ZINC000271941354 373227448 /nfs/dbraw/zinc/22/74/48/373227448.db2.gz LYNXFQVRVBKNGU-YGRLFVJLSA-N 0 3 280.368 2.216 20 30 CEEDHN COc1cccc(CCNCc2ccc(C#N)cc2F)n1 ZINC000344984189 217377725 /nfs/dbraw/zinc/37/77/25/217377725.db2.gz ZNXASFGDFIZOFR-UHFFFAOYSA-N 0 3 285.322 2.433 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H](C)[C@H](C)c1ccccc1 ZINC000272838970 373676413 /nfs/dbraw/zinc/67/64/13/373676413.db2.gz JIFBMHVPYUSAKA-UONOGXRCSA-N 0 3 281.421 2.369 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](C)[C@H]1OCCc2sccc21 ZINC000644785832 373684167 /nfs/dbraw/zinc/68/41/67/373684167.db2.gz ZVPMUCZYXZQIPS-SCDSUCTJSA-N 0 3 267.394 2.277 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)c1cc(C#N)ccc1[N+](=O)[O-] ZINC000274285065 373866458 /nfs/dbraw/zinc/86/64/58/373866458.db2.gz WLSATUDKDPGFHP-ZDUSSCGKSA-N 0 3 288.351 2.244 20 30 CEEDHN C=CCCN1CCC[C@@H](c2n[nH]cc2NC(=O)NCC)C1 ZINC000371604751 373933713 /nfs/dbraw/zinc/93/37/13/373933713.db2.gz FOIUNKQNVOEZMU-GFCCVEGCSA-N 0 3 291.399 2.307 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCCN(c3ccncn3)C2)s1 ZINC000371882966 373998293 /nfs/dbraw/zinc/99/82/93/373998293.db2.gz GBKNCRNDEJFLIE-GFCCVEGCSA-N 0 3 299.403 2.168 20 30 CEEDHN CC1(C)[C@H](NCc2ccc(C#N)o2)[C@@H]2CCCO[C@@H]21 ZINC000371799452 373981334 /nfs/dbraw/zinc/98/13/34/373981334.db2.gz OTOVJYVOBIGWIA-MJBXVCDLSA-N 0 3 260.337 2.444 20 30 CEEDHN C=C(C)CCN1CCN(Cc2cn3ccccc3n2)CC1 ZINC000274802239 374054883 /nfs/dbraw/zinc/05/48/83/374054883.db2.gz VNFMAMZYTKWOAC-UHFFFAOYSA-N 0 3 284.407 2.418 20 30 CEEDHN C[C@H](NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(C#N)s1 ZINC000372325617 374098518 /nfs/dbraw/zinc/09/85/18/374098518.db2.gz LNAYBAKPVGDWAS-RWMBFGLXSA-N 0 3 291.420 2.134 20 30 CEEDHN CN1CCC[C@@]2(CCN(Cc3ccccc3C#N)C2)C1=O ZINC000372543341 374152659 /nfs/dbraw/zinc/15/26/59/374152659.db2.gz DKEJDOOIIDSQKL-KRWDZBQOSA-N 0 3 283.375 2.003 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(C#N)cc3)C[C@@H]21 ZINC000373191023 374290720 /nfs/dbraw/zinc/29/07/20/374290720.db2.gz NHNWWJONADDKMQ-ZFWWWQNUSA-N 0 3 284.363 2.116 20 30 CEEDHN CC(C)N(CCC#N)C(=O)C1CN(C2CCCCC2)C1 ZINC000574496571 335023990 /nfs/dbraw/zinc/02/39/90/335023990.db2.gz CSOPZSCWQPGVGG-UHFFFAOYSA-N 0 3 277.412 2.402 20 30 CEEDHN N#Cc1ccc(NC[C@@H]2CCCCN2C2CC2)cn1 ZINC000277456122 374526937 /nfs/dbraw/zinc/52/69/37/374526937.db2.gz ONOOSWMBLOQYGS-HNNXBMFYSA-N 0 3 256.353 2.382 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H]1CCOC[C@H]1C ZINC000277514975 374549224 /nfs/dbraw/zinc/54/92/24/374549224.db2.gz QIWPIPBYQFIMOP-RISCZKNCSA-N 0 3 260.337 2.081 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H]1CCOC[C@@H]1C ZINC000277514977 374549363 /nfs/dbraw/zinc/54/93/63/374549363.db2.gz QIWPIPBYQFIMOP-SMDDNHRTSA-N 0 3 260.337 2.081 20 30 CEEDHN C[C@H](N[C@@H]1CC(=O)N2CCCC[C@H]12)c1ccc(C#N)s1 ZINC000374507831 374586944 /nfs/dbraw/zinc/58/69/44/374586944.db2.gz TWRHSXZWRPPCTI-CYZMBNFOSA-N 0 3 289.404 2.424 20 30 CEEDHN C=CCC[C@@H](O)CN1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374914730 374636316 /nfs/dbraw/zinc/63/63/16/374636316.db2.gz SPPYVDNEOOZIQM-HZPDHXFCSA-N 0 3 279.355 2.046 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](OC)CC1 ZINC000374647974 374622512 /nfs/dbraw/zinc/62/25/12/374622512.db2.gz PHTNXOPBVQQQLM-LSDHHAIUSA-N 0 3 280.412 2.076 20 30 CEEDHN C#CC[C@@H](NC(=O)N1CCN2CCC1CC2)c1ccccc1 ZINC000375219664 374645720 /nfs/dbraw/zinc/64/57/20/374645720.db2.gz ABIBDQRAHRVLBR-QGZVFWFLSA-N 0 3 297.402 2.241 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC(Cc3cccnc3)CC2)C1=O ZINC000375621415 374666393 /nfs/dbraw/zinc/66/63/93/374666393.db2.gz SLBUHBCOUFCTRB-QGZVFWFLSA-N 0 3 299.418 2.123 20 30 CEEDHN Cn1cc(CN[C@@H]2CCc3ccccc3OC2)cc1C#N ZINC000377142969 374802201 /nfs/dbraw/zinc/80/22/01/374802201.db2.gz RIVPQSMALRXCQX-OAHLLOKOSA-N 0 3 281.359 2.380 20 30 CEEDHN C=CCN(CC=C)C(=O)c1ccccc1OCCN(C)C ZINC000279437223 374874933 /nfs/dbraw/zinc/87/49/33/374874933.db2.gz ZVOFXCJZHCLWTE-UHFFFAOYSA-N 0 3 288.391 2.441 20 30 CEEDHN C=C(C)CN(Cc1ccccc1)C[C@@](C)(O)C(=O)OCC ZINC000279373552 374852414 /nfs/dbraw/zinc/85/24/14/374852414.db2.gz SCLPSPPFOYVJNC-QGZVFWFLSA-N 0 3 291.391 2.379 20 30 CEEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)Cn1cccn1 ZINC000279395082 374859725 /nfs/dbraw/zinc/85/97/25/374859725.db2.gz UQEQOBSBLMPKQK-KRWDZBQOSA-N 0 3 285.391 2.322 20 30 CEEDHN CC(C)[C@@]1(CO)CCN(Cc2ccc(C#N)s2)C1 ZINC000378125913 375024631 /nfs/dbraw/zinc/02/46/31/375024631.db2.gz BZUKQMGRMHUWDT-AWEZNQCLSA-N 0 3 264.394 2.460 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(C(=O)OC)o1 ZINC000280592746 375253510 /nfs/dbraw/zinc/25/35/10/375253510.db2.gz BOTZCJZKJPRIOO-FZMZJTMJSA-N 0 3 279.336 2.137 20 30 CEEDHN CC1(C)CN(CCOc2cccc(C#N)c2)[C@@H]2COC[C@@H]21 ZINC000384862665 375218618 /nfs/dbraw/zinc/21/86/18/375218618.db2.gz LVGWTMRPQBROMF-JKSUJKDBSA-N 0 3 286.375 2.294 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](OC)C1CC1)C(C)C ZINC000280806156 375328054 /nfs/dbraw/zinc/32/80/54/375328054.db2.gz GQAVNOCRMWPIJI-CVEARBPZSA-N 0 3 294.439 2.226 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NCCN(C)Cc1ccccc1 ZINC000280789984 375321435 /nfs/dbraw/zinc/32/14/35/375321435.db2.gz QMAAUHQFDRNBPI-UHFFFAOYSA-N 0 3 297.358 2.322 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000280645396 375271019 /nfs/dbraw/zinc/27/10/19/375271019.db2.gz JAUFFFYNVRXNQW-WBMJQRKESA-N 0 3 277.364 2.472 20 30 CEEDHN C[C@H]1CN(CCCC#N)CCN1Cc1ccccc1 ZINC000396587000 375335611 /nfs/dbraw/zinc/33/56/11/375335611.db2.gz VUMOHLFYABSLPZ-HNNXBMFYSA-N 0 3 257.381 2.496 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1nccn1C)C1CC1 ZINC000280948304 375346377 /nfs/dbraw/zinc/34/63/77/375346377.db2.gz XCKOUMDHQCCFIN-ZNMIVQPWSA-N 0 3 275.396 2.442 20 30 CEEDHN COc1cc(CN2C[C@H](CO)C[C@H](C)C2)ccc1C#N ZINC000398649966 375352836 /nfs/dbraw/zinc/35/28/36/375352836.db2.gz KWKBZGCVQBNSTB-GXTWGEPZSA-N 0 3 274.364 2.017 20 30 CEEDHN C#C[C@H](NC(=O)c1ccc(CN(C)C)cc1)C(C)C ZINC000281263937 375367033 /nfs/dbraw/zinc/36/70/33/375367033.db2.gz DJHLHABDQWPKSZ-HNNXBMFYSA-N 0 3 258.365 2.136 20 30 CEEDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc(C#N)cc1OC ZINC000283030824 375640603 /nfs/dbraw/zinc/64/06/03/375640603.db2.gz HOPHNBRGRURJEX-VXGBXAGGSA-N 0 3 290.363 2.244 20 30 CEEDHN CC(C)OCCN1CCC(Nc2cc(C#N)ccn2)CC1 ZINC000283793462 375762025 /nfs/dbraw/zinc/76/20/25/375762025.db2.gz SJPZSLLDMQOIFD-UHFFFAOYSA-N 0 3 288.395 2.255 20 30 CEEDHN C[C@@H]1CN(c2ncc(C#N)cc2F)CCN(C2CCC2)C1 ZINC000413302173 375777150 /nfs/dbraw/zinc/77/71/50/375777150.db2.gz LZIFXGIMXRTDPE-LBPRGKRZSA-N 0 3 288.370 2.403 20 30 CEEDHN CCN(CC)CC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416338979 376047893 /nfs/dbraw/zinc/04/78/93/376047893.db2.gz FRZIYVWXZXSLIM-INIZCTEOSA-N 0 3 285.391 2.394 20 30 CEEDHN C[C@@H](NC[C@@]1(O)CCSC1)c1ccc(C#N)cc1F ZINC000305805163 376496797 /nfs/dbraw/zinc/49/67/97/376496797.db2.gz GAMQURLRDOSGBZ-YGRLFVJLSA-N 0 3 280.368 2.216 20 30 CEEDHN C[C@H](NCCSCCCO)c1ccc(C#N)c(F)c1 ZINC000305811918 376500445 /nfs/dbraw/zinc/50/04/45/376500445.db2.gz JJNYHGTZOCWQMJ-NSHDSACASA-N 0 3 282.384 2.464 20 30 CEEDHN CC[C@@H]1CN(C)CCN1Cc1ccc(C#N)c(OC)c1 ZINC000556951455 376524102 /nfs/dbraw/zinc/52/41/02/376524102.db2.gz CTBVZIACSGFVRY-OAHLLOKOSA-N 0 3 273.380 2.093 20 30 CEEDHN C=CCN1CCC(NC(=O)NCc2cccc(F)c2)CC1 ZINC000264444770 190110112 /nfs/dbraw/zinc/11/01/12/190110112.db2.gz XHIRRFIIGOLMQK-UHFFFAOYSA-N 0 3 291.370 2.275 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H]1C[C@@H](O)C1 ZINC000420903351 376733813 /nfs/dbraw/zinc/73/38/13/376733813.db2.gz OEAVASZQEHGPHP-GASCZTMLSA-N 0 3 261.365 2.454 20 30 CEEDHN CN(CCNc1cccnc1C#N)Cc1ccccc1 ZINC000290479581 376798355 /nfs/dbraw/zinc/79/83/55/376798355.db2.gz BGTJDHNIDIMMMQ-UHFFFAOYSA-N 0 3 266.348 2.497 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000328796538 376899225 /nfs/dbraw/zinc/89/92/25/376899225.db2.gz UWVMHMNAGBYHNP-IAGOWNOFSA-N 0 3 298.386 2.396 20 30 CEEDHN C[C@H](C(=O)NCc1ccc(C#N)s1)N1[C@H](C)CC[C@@H]1C ZINC000421921930 376849352 /nfs/dbraw/zinc/84/93/52/376849352.db2.gz QRAWMPVXWUGQDJ-GRYCIOLGSA-N 0 3 291.420 2.497 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCC(Oc3cnccn3)CC2)C1 ZINC000328807579 376901822 /nfs/dbraw/zinc/90/18/22/376901822.db2.gz DNYGRRLMMKEQLS-CHWSQXEVSA-N 0 3 272.352 2.012 20 30 CEEDHN CC(C)[C@@H](NC[C@@H](C#N)CCC#N)[C@@H](CO)C(C)C ZINC000562554601 376932295 /nfs/dbraw/zinc/93/22/95/376932295.db2.gz OLODBSDEQMFABM-QLFBSQMISA-N 0 3 265.401 2.309 20 30 CEEDHN O=C(NC1CCN(C2CC2)CC1)C1CCC(O)CC1 ZINC000329897892 377024880 /nfs/dbraw/zinc/02/48/80/377024880.db2.gz DHEKPLCDRJCJOQ-UHFFFAOYSA-N 0 3 266.385 2.121 20 30 CEEDHN COc1ccc(CNC[C@@](C)(OC)C2CC2)cc1C#N ZINC000291033047 377041071 /nfs/dbraw/zinc/04/10/71/377041071.db2.gz JFAVGKNHTHTBDM-MRXNPFEDSA-N 0 3 274.364 2.472 20 30 CEEDHN N#Cc1cnn2cc(CN3CCC[C@H]4CCC[C@H]43)cnc12 ZINC000563154864 377108931 /nfs/dbraw/zinc/10/89/31/377108931.db2.gz YPWVYIXXDQWBTD-UKRRQHHQSA-N 0 3 281.363 2.365 20 30 CEEDHN C[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000330423822 377125905 /nfs/dbraw/zinc/12/59/05/377125905.db2.gz ZLBSFSRBQKWAJT-RISCZKNCSA-N 0 3 257.337 2.275 20 30 CEEDHN O=C(N[C@@H]1CCn2ccnc2C1)[C@H](C1CC1)N1CCCC1 ZINC000330260414 377079138 /nfs/dbraw/zinc/07/91/38/377079138.db2.gz SPCQVEQXMCVHAG-HIFRSBDPSA-N 0 3 288.395 2.029 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H](n3cccn3)C2)cc1 ZINC000291257369 377143179 /nfs/dbraw/zinc/14/31/79/377143179.db2.gz MQVVOVWXGSTFGR-OAHLLOKOSA-N 0 3 252.321 2.202 20 30 CEEDHN Cc1csc(NC(=O)N(C)CCN2CCCC2)c1C#N ZINC000563354578 377183615 /nfs/dbraw/zinc/18/36/15/377183615.db2.gz HMTSSZHIXKCVPZ-UHFFFAOYSA-N 0 3 292.408 2.488 20 30 CEEDHN C#CCOc1ccccc1CN1CC[C@H](n2cccn2)C1 ZINC000291345845 377183869 /nfs/dbraw/zinc/18/38/69/377183869.db2.gz WNCOAAOFDVPRRZ-INIZCTEOSA-N 0 3 281.359 2.342 20 30 CEEDHN C#CCN(C)CCCNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000292640365 377260834 /nfs/dbraw/zinc/26/08/34/377260834.db2.gz AXMGPRHHGJTLPR-UHFFFAOYSA-N 0 3 295.314 2.110 20 30 CEEDHN Cc1nc(NC2CCN(C3CC3)CC2)ccc1C#N ZINC000291677854 377204103 /nfs/dbraw/zinc/20/41/03/377204103.db2.gz QXNIHBCUUFELBI-UHFFFAOYSA-N 0 3 256.353 2.300 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000424710437 377286215 /nfs/dbraw/zinc/28/62/15/377286215.db2.gz HYYAJBPKJHHXOB-NWDGAFQWSA-N 0 3 250.386 2.330 20 30 CEEDHN CCOCC[C@@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425536909 377370004 /nfs/dbraw/zinc/37/00/04/377370004.db2.gz POFJPGSKPHSYPX-XJKSGUPXSA-N 0 3 276.380 2.339 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000426027178 377390645 /nfs/dbraw/zinc/39/06/45/377390645.db2.gz GLCGRDQUONATIS-UKRRQHHQSA-N 0 3 297.468 2.174 20 30 CEEDHN C#CCCNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000264957760 190147526 /nfs/dbraw/zinc/14/75/26/190147526.db2.gz DIBWBGZWJUHBKA-MRXNPFEDSA-N 0 3 287.407 2.174 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000427796936 377449817 /nfs/dbraw/zinc/44/98/17/377449817.db2.gz ABYWFZLEIFEPBI-GFCCVEGCSA-N 0 3 290.338 2.493 20 30 CEEDHN N#Cc1ccc(OCCN2CCN(C3CCC3)CC2)cc1 ZINC000264986502 190150095 /nfs/dbraw/zinc/15/00/95/190150095.db2.gz LZUQEZTYXBRXEP-UHFFFAOYSA-N 0 3 285.391 2.107 20 30 CEEDHN C[C@H](C(=O)NCC1(C#N)CCC1)N1[C@H](C)CC[C@@H]1C ZINC000331626653 377489395 /nfs/dbraw/zinc/48/93/95/377489395.db2.gz RTVSNKSCKXFHKJ-FRRDWIJNSA-N 0 3 263.385 2.058 20 30 CEEDHN CC(C)(CNC(=O)c1ccc(C#N)o1)N1CCCCC1 ZINC000429854438 377522001 /nfs/dbraw/zinc/52/20/01/377522001.db2.gz XCLQJOYPIDUOBN-UHFFFAOYSA-N 0 3 275.352 2.146 20 30 CEEDHN COCC#CCN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000685599528 542165733 /nfs/dbraw/zinc/16/57/33/542165733.db2.gz KDJXPBARXQCCEO-QGZVFWFLSA-N 0 3 285.387 2.320 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000429578239 377516373 /nfs/dbraw/zinc/51/63/73/377516373.db2.gz MLJOEYYKCHRGKS-NFAWXSAZSA-N 0 3 265.401 2.161 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H]1CC[C@@H](C)C1 ZINC000429578241 377516914 /nfs/dbraw/zinc/51/69/14/377516914.db2.gz MLJOEYYKCHRGKS-VNHYZAJKSA-N 0 3 265.401 2.161 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000565049752 377545068 /nfs/dbraw/zinc/54/50/68/377545068.db2.gz SFXVPQXDHXZVIM-ZIAGYGMSSA-N 0 3 263.385 2.156 20 30 CEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)/C=C/CN(C)C ZINC000265626249 190194972 /nfs/dbraw/zinc/19/49/72/190194972.db2.gz ILTBRQQSFLGSFN-AATRIKPKSA-N 0 3 287.363 2.402 20 30 CEEDHN C=CCCCCCNC(=O)NC[C@H]1CCCN1C ZINC000565172295 377588109 /nfs/dbraw/zinc/58/81/09/377588109.db2.gz LXIWFGDLLNAXEE-CYBMUJFWSA-N 0 3 253.390 2.126 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293516388 377605644 /nfs/dbraw/zinc/60/56/44/377605644.db2.gz VOICHFWBWCEJDO-BETUJISGSA-N 0 3 273.380 2.091 20 30 CEEDHN Cc1nc([C@@H]2CCN(Cc3ccc(C#N)s3)C2)n[nH]1 ZINC000565723839 377690727 /nfs/dbraw/zinc/69/07/27/377690727.db2.gz IGRRHMPEEWBOCF-SNVBAGLBSA-N 0 3 273.365 2.036 20 30 CEEDHN Cc1n[nH]c([C@@H]2CCN(Cc3ccc(C#N)s3)C2)n1 ZINC000565723839 377690730 /nfs/dbraw/zinc/69/07/30/377690730.db2.gz IGRRHMPEEWBOCF-SNVBAGLBSA-N 0 3 273.365 2.036 20 30 CEEDHN Cc1nnc([C@@H]2CCN(Cc3ccc(C#N)s3)C2)[nH]1 ZINC000565723839 377690734 /nfs/dbraw/zinc/69/07/34/377690734.db2.gz IGRRHMPEEWBOCF-SNVBAGLBSA-N 0 3 273.365 2.036 20 30 CEEDHN Cc1cc(CN2CCC[C@@H](N3CCOCC3)C2)ccc1C#N ZINC000565723653 377691498 /nfs/dbraw/zinc/69/14/98/377691498.db2.gz BJHZUQBDNCETBB-GOSISDBHSA-N 0 3 299.418 2.163 20 30 CEEDHN C=CC[C@@H](CC)NCCS(=O)(=O)c1ccccc1 ZINC000566124588 377729806 /nfs/dbraw/zinc/72/98/06/377729806.db2.gz KOIZQTWLEYHXMZ-CYBMUJFWSA-N 0 3 267.394 2.405 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000333171103 377755243 /nfs/dbraw/zinc/75/52/43/377755243.db2.gz KIDKXUHQTQXVSE-YOEHRIQHSA-N 0 3 289.423 2.309 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(C)c(F)c1 ZINC000566837917 377773231 /nfs/dbraw/zinc/77/32/31/377773231.db2.gz GXIHOJCCXDLMGI-CABCVRRESA-N 0 3 292.354 2.396 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(-c2ccccc2)on1 ZINC000293912836 377823661 /nfs/dbraw/zinc/82/36/61/377823661.db2.gz GHHOUUUERFXRPY-UHFFFAOYSA-N 0 3 297.358 2.027 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C/Sc1ccccc1 ZINC000294017714 377871513 /nfs/dbraw/zinc/87/15/13/377871513.db2.gz QEBOCDPWXUAEFM-GXDHUFHOSA-N 0 3 288.416 2.364 20 30 CEEDHN CSCCCN(C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000439466432 377925941 /nfs/dbraw/zinc/92/59/41/377925941.db2.gz HFPMZHSKFTVEHO-TZMCWYRMSA-N 0 3 285.457 2.114 20 30 CEEDHN C#CCOc1ccccc1CN(C)CC(C)(C)CO ZINC000294744643 378017309 /nfs/dbraw/zinc/01/73/09/378017309.db2.gz HNWJBCGHUOHLKK-UHFFFAOYSA-N 0 3 261.365 2.149 20 30 CEEDHN Cc1cccc(OC[C@H](O)CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442795518 377997815 /nfs/dbraw/zinc/99/78/15/377997815.db2.gz UIMLVBSRKTUQJS-SOUVJXGZSA-N 0 3 274.364 2.017 20 30 CEEDHN C=CCOCCN1CCC(Oc2cc(C)ccn2)CC1 ZINC000294662105 378004397 /nfs/dbraw/zinc/00/43/97/378004397.db2.gz RFDFVJIWOBXPOK-UHFFFAOYSA-N 0 3 276.380 2.436 20 30 CEEDHN C#CCN(C)CCC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000295131064 378043572 /nfs/dbraw/zinc/04/35/72/378043572.db2.gz ZVEINSBWLIOLNT-CQSZACIVSA-N 0 3 260.381 2.306 20 30 CEEDHN CN(C)C(=O)[C@@H]1CCCN1CCCCC(C)(C)C#N ZINC000444596037 378076317 /nfs/dbraw/zinc/07/63/17/378076317.db2.gz LGPMWVVTGRWGMV-ZDUSSCGKSA-N 0 3 265.401 2.259 20 30 CEEDHN N#CCSCCCN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444717933 378078116 /nfs/dbraw/zinc/07/81/16/378078116.db2.gz JNAZTVDNOXSTCP-GHMZBOCLSA-N 0 3 296.358 2.268 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@@H](C)NC1CC1 ZINC000295277833 378081178 /nfs/dbraw/zinc/08/11/78/378081178.db2.gz WCZISXKMVXQBAK-GFCCVEGCSA-N 0 3 274.364 2.008 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](C(C)C)C1 ZINC000446734151 378086720 /nfs/dbraw/zinc/08/67/20/378086720.db2.gz JMKFWFFBOCUSRR-AWEZNQCLSA-N 0 3 250.386 2.165 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](C)c1cccc(C2CC2)c1 ZINC000295288965 378086744 /nfs/dbraw/zinc/08/67/44/378086744.db2.gz DOKDXGURXXXFSY-OLZOCXBDSA-N 0 3 270.376 2.353 20 30 CEEDHN CCC[C@@H](CNCc1cnc2ccc(C#N)cn12)OC ZINC000449376009 378206482 /nfs/dbraw/zinc/20/64/82/378206482.db2.gz KMUKANBRLISTID-AWEZNQCLSA-N 0 3 272.352 2.111 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc2c1OCCO2 ZINC000449549374 378216593 /nfs/dbraw/zinc/21/65/93/378216593.db2.gz XHMDDUVTQFYTGG-KGLIPLIRSA-N 0 3 275.348 2.281 20 30 CEEDHN CCC[C@@H](O)CN1CCCN(c2ccccc2C#N)CC1 ZINC000295453554 378165490 /nfs/dbraw/zinc/16/54/90/378165490.db2.gz HGSOBDQFVKSJIH-MRXNPFEDSA-N 0 3 287.407 2.231 20 30 CEEDHN C=CCC1(C(=O)N2CCO[C@@H](CN(C)C)C2)CCCCC1 ZINC000449880652 378238194 /nfs/dbraw/zinc/23/81/94/378238194.db2.gz PHTXRSRODFNZCE-HNNXBMFYSA-N 0 3 294.439 2.302 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)[C@@]2(C#N)CC23CCCC3)CCN1C ZINC000449983779 378260809 /nfs/dbraw/zinc/26/08/09/378260809.db2.gz DECBMLGEDAGNHW-CPUCHLNUSA-N 0 3 289.423 2.402 20 30 CEEDHN CCC[C@@H](O)CNC(=O)C(C#N)CCc1ccccc1 ZINC000450175310 378317133 /nfs/dbraw/zinc/31/71/33/378317133.db2.gz FTZNHKROSUQTGZ-HUUCEWRRSA-N 0 3 274.364 2.036 20 30 CEEDHN C=CCN(CCc1ccccc1)C[C@H]1COCCO1 ZINC000450296108 378345250 /nfs/dbraw/zinc/34/52/50/378345250.db2.gz BTROBHULTJDDKX-INIZCTEOSA-N 0 3 261.365 2.133 20 30 CEEDHN C=CCn1c(C2CC2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000295956062 378368414 /nfs/dbraw/zinc/36/84/14/378368414.db2.gz MOTZMIPLLSEFHP-ZDUSSCGKSA-N 0 3 289.427 2.262 20 30 CEEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)COCCOC ZINC000296149761 378434002 /nfs/dbraw/zinc/43/40/02/378434002.db2.gz XURUZERZNUVFGY-KRWDZBQOSA-N 0 3 293.407 2.089 20 30 CEEDHN C[C@H](NC(=O)[C@]1(C#N)C[C@@H]1C)[C@H](c1ccccc1)N(C)C ZINC000450701112 378537252 /nfs/dbraw/zinc/53/72/52/378537252.db2.gz VUMNYJVETDMEFH-LBEHMCEESA-N 0 3 285.391 2.344 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@@H](C)c1ccccc1 ZINC000296719440 378628467 /nfs/dbraw/zinc/62/84/67/378628467.db2.gz SDFVLBLHNHXIPR-OAHLLOKOSA-N 0 3 287.407 2.044 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000296918200 378657404 /nfs/dbraw/zinc/65/74/04/378657404.db2.gz ODHYPBHRAPWTOX-KRWDZBQOSA-N 0 3 299.418 2.141 20 30 CEEDHN CCC[C@@H](C)N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000298439783 378727202 /nfs/dbraw/zinc/72/72/02/378727202.db2.gz BULFFPLODPLNKI-CYBMUJFWSA-N 0 3 273.380 2.295 20 30 CEEDHN CC[C@@H](C)[C@H](O)CNCc1ccc(OC)c(C#N)c1 ZINC000266241985 190242880 /nfs/dbraw/zinc/24/28/80/190242880.db2.gz XJRFQXLNMKPNPO-BXUZGUMPSA-N 0 3 262.353 2.063 20 30 CEEDHN CC[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(C#N)cc1 ZINC000278745117 194135073 /nfs/dbraw/zinc/13/50/73/194135073.db2.gz NOGIUNITLGVZSE-GFCCVEGCSA-N 0 3 299.296 2.277 20 30 CEEDHN C[C@@H]1C[C@H](N[C@H]2CC[C@H](C#N)C2)C(=O)N1c1ccccc1 ZINC000514677638 379137236 /nfs/dbraw/zinc/13/72/36/379137236.db2.gz XRMVHFHIQVJKGN-HOSILWTGSA-N 0 3 283.375 2.462 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@H](Oc2ncccc2F)C1 ZINC000278869977 194191796 /nfs/dbraw/zinc/19/17/96/194191796.db2.gz OCPWRZMUTCFZLX-KGLIPLIRSA-N 0 3 294.370 2.391 20 30 CEEDHN N#Cc1ccc2nc(N3CCN4CCC3CC4)ccc2c1 ZINC000302769407 379447830 /nfs/dbraw/zinc/44/78/30/379447830.db2.gz MHRCJVIFKUFDJM-UHFFFAOYSA-N 0 3 278.359 2.391 20 30 CEEDHN C=CCC[C@@H](O)CN1CCc2c(cccc2NC(C)=O)C1 ZINC000305096022 379633848 /nfs/dbraw/zinc/63/38/48/379633848.db2.gz SLZLGDQOHDALLV-OAHLLOKOSA-N 0 3 288.391 2.330 20 30 CEEDHN C=CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000267312294 190320347 /nfs/dbraw/zinc/32/03/47/190320347.db2.gz IJJOHMKYKIXLTD-GOEBONIOSA-N 0 3 287.407 2.382 20 30 CEEDHN C[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)[C@@H]2CCCC[C@@H]12 ZINC000527377094 379754611 /nfs/dbraw/zinc/75/46/11/379754611.db2.gz IDSPXOHLOONXKM-QLFBSQMISA-N 0 3 289.423 2.449 20 30 CEEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)NC1(C#N)CCC1 ZINC000527377134 379755439 /nfs/dbraw/zinc/75/54/39/379755439.db2.gz SICAUFCKGCZEAV-HZSPNIEDSA-N 0 3 275.396 2.202 20 30 CEEDHN Cc1ccc(NC(=O)C(C#N)c2ccncn2)cc1C ZINC000487508206 380087075 /nfs/dbraw/zinc/08/70/75/380087075.db2.gz VGDCDJYNQKZCOP-ZDUSSCGKSA-N 0 3 266.304 2.339 20 30 CEEDHN N#CC(C(=O)CC1(c2ccccc2)CC1)C(=O)N1CCCC1 ZINC000528918765 380134951 /nfs/dbraw/zinc/13/49/51/380134951.db2.gz XVKYOHWTVZFVDZ-HNNXBMFYSA-N 0 3 296.370 2.440 20 30 CEEDHN Cc1ccc2occ(CC(=O)C(C#N)C(=O)NC3CC3)c2c1 ZINC000528921612 380136718 /nfs/dbraw/zinc/13/67/18/380136718.db2.gz UNCFSWNMZQDLHH-CQSZACIVSA-N 0 3 296.326 2.271 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1cccc(C#N)c1 ZINC000268129896 190379220 /nfs/dbraw/zinc/37/92/20/190379220.db2.gz PFPKWJSHOKOGDR-NHYWBVRUSA-N 0 3 284.363 2.162 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C/c1ccc(C#N)cc1 ZINC000268143706 190380558 /nfs/dbraw/zinc/38/05/58/190380558.db2.gz DSYGTWFHFOJZBG-ZNFUDUHCSA-N 0 3 295.386 2.170 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530027662 380192995 /nfs/dbraw/zinc/19/29/95/380192995.db2.gz MTZHXSUTKSCDNY-UKRRQHHQSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C/c1ccccc1C#N ZINC000268286727 190392633 /nfs/dbraw/zinc/39/26/33/190392633.db2.gz YKYXAJJEVJXRFA-COYVBCABSA-N 0 3 295.386 2.170 20 30 CEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C1(C#N)CC(C)C1 ZINC000532064958 380211661 /nfs/dbraw/zinc/21/16/61/380211661.db2.gz MOZRILBLNXSMFT-REWIBIJMSA-N 0 3 277.412 2.163 20 30 CEEDHN CC1CC(C#N)(C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000532335417 380213063 /nfs/dbraw/zinc/21/30/63/380213063.db2.gz KRCKITHEIAPPRX-UHFFFAOYSA-N 0 3 289.423 2.403 20 30 CEEDHN C[C@@H](CNC(=O)C1(C#N)CC(C)C1)N1CCC(C)CC1 ZINC000532319756 380213218 /nfs/dbraw/zinc/21/32/18/380213218.db2.gz FNDWJEGEGVIQMZ-BBBYJDLNSA-N 0 3 277.412 2.163 20 30 CEEDHN C[C@@H]1CCN(C)CCN1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000491866425 380364623 /nfs/dbraw/zinc/36/46/23/380364623.db2.gz INEHOANMSZXQQP-WBTMPAOCSA-N 0 3 283.375 2.124 20 30 CEEDHN C[C@H](N[C@]1(C)CCO[C@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000494265572 381156594 /nfs/dbraw/zinc/15/65/94/381156594.db2.gz QHJXYALYNMDHNO-MQIPJXDCSA-N 0 3 287.363 2.042 20 30 CEEDHN C=CCN1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494954125 381163274 /nfs/dbraw/zinc/16/32/74/381163274.db2.gz PMLQFGIVNKZNHY-NWDGAFQWSA-N 0 3 254.374 2.408 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C ZINC000495691677 381181388 /nfs/dbraw/zinc/18/13/88/381181388.db2.gz CFHQLWRDFQGEST-RYUDHWBXSA-N 0 3 297.399 2.346 20 30 CEEDHN CN(C)C(=O)OC[C@@H]1CCCCN1CCCCC#N ZINC000495689639 381181473 /nfs/dbraw/zinc/18/14/73/381181473.db2.gz UWLRFSQPDMKBSD-ZDUSSCGKSA-N 0 3 267.373 2.233 20 30 CEEDHN C=CCOCCN1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495791713 381185321 /nfs/dbraw/zinc/18/53/21/381185321.db2.gz FJZAAVLJPZVMKU-MRXNPFEDSA-N 0 3 298.427 2.426 20 30 CEEDHN CN(CCNC(=O)OC(C)(C)C)[C@@H]1CC[C@H](C#N)C1 ZINC000496401985 381212658 /nfs/dbraw/zinc/21/26/58/381212658.db2.gz VOTTXDBZXPIWPO-NWDGAFQWSA-N 0 3 267.373 2.135 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@H](COC(N)=O)Cc2ccccc2)C1 ZINC000496679524 381222779 /nfs/dbraw/zinc/22/27/79/381222779.db2.gz MFUURWFTQFUATJ-ILXRZTDVSA-N 0 3 287.363 2.389 20 30 CEEDHN C[C@@H]1C[C@H](NCCC#N)CCN1C(=O)OC(C)(C)C ZINC000496964930 381235388 /nfs/dbraw/zinc/23/53/88/381235388.db2.gz UXYBXHJLOJJHHE-VXGBXAGGSA-N 0 3 267.373 2.278 20 30 CEEDHN C#CCCCC(=O)N(CCN(C)C)Cc1cccs1 ZINC000192380431 533003713 /nfs/dbraw/zinc/00/37/13/533003713.db2.gz JZUIZJLSESNOCR-UHFFFAOYSA-N 0 3 278.421 2.442 20 30 CEEDHN COCCOC[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353251160 285099581 /nfs/dbraw/zinc/09/95/81/285099581.db2.gz HNBPYBZXPPICCN-MLGOLLRUSA-N 0 3 274.364 2.187 20 30 CEEDHN CC(C#N)C(=O)NCc1cc(-c2ccccc2)no1 ZINC000347034992 533113613 /nfs/dbraw/zinc/11/36/13/533113613.db2.gz JTGDTPTUALYNLD-JTQLQIEISA-N 0 3 255.277 2.117 20 30 CEEDHN N#Cc1ccc(CNC[C@H]2COc3ccccc32)o1 ZINC000288535309 197105639 /nfs/dbraw/zinc/10/56/39/197105639.db2.gz KMGMYKRVPUYWIA-NSHDSACASA-N 0 3 254.289 2.417 20 30 CEEDHN C[C@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1Cc1ccccc1 ZINC000288092219 197002817 /nfs/dbraw/zinc/00/28/17/197002817.db2.gz ADWPPGVLECZAEA-BBRMVZONSA-N 0 3 293.374 2.423 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000281316309 195193094 /nfs/dbraw/zinc/19/30/94/195193094.db2.gz OXMBLVVCDALERH-LBPRGKRZSA-N 0 3 275.352 2.062 20 30 CEEDHN Cc1cnc([C@@H](C)NC(=O)NC2CCN(C3CC3)CC2)o1 ZINC000329240906 227374006 /nfs/dbraw/zinc/37/40/06/227374006.db2.gz NAQHXLQADDUMBW-LLVKDONJSA-N 0 3 292.383 2.174 20 30 CEEDHN CC[C@@H](C)[C@@H](O)CNCc1ccc(C#N)c(OC)c1 ZINC000281558491 195288037 /nfs/dbraw/zinc/28/80/37/195288037.db2.gz BRQVWKAEWPHSLY-RISCZKNCSA-N 0 3 262.353 2.063 20 30 CEEDHN COc1cc(CNCC[S@@](=O)C(C)(C)C)ccc1C#N ZINC000281711610 195346947 /nfs/dbraw/zinc/34/69/47/195346947.db2.gz OOTUVHJYSMWYPI-HXUWFJFHSA-N 0 3 294.420 2.204 20 30 CEEDHN COc1cc(CN2CC[C@@H](C)[C@H](OC)C2)ccc1C#N ZINC000282288972 195564169 /nfs/dbraw/zinc/56/41/69/195564169.db2.gz LPOOMUIGQTUJDL-MLGOLLRUSA-N 0 3 274.364 2.424 20 30 CEEDHN COc1ccc(CN(C)C(=O)C(C)C#N)cc1OC(F)F ZINC000347070513 533531693 /nfs/dbraw/zinc/53/16/93/533531693.db2.gz NZYKWXPIXAOIOX-SECBINFHSA-N 0 3 298.289 2.415 20 30 CEEDHN C[C@@H](NCc1cc(C#N)n(C)c1)[C@@H](O)c1ccc(F)cc1 ZINC000191088708 130182922 /nfs/dbraw/zinc/18/29/22/130182922.db2.gz TWQKMESMNZCJDV-BDJLRTHQSA-N 0 3 287.338 2.248 20 30 CEEDHN COc1cccc(O[C@@H](C)CNCc2cc(C#N)n(C)c2)c1 ZINC000191217992 130204565 /nfs/dbraw/zinc/20/45/65/130204565.db2.gz WQBXMVONKCFIRN-ZDUSSCGKSA-N 0 3 299.374 2.462 20 30 CEEDHN CC(C)[C@H]1CN(C)CCN1Cc1ccc(C#N)c(F)c1 ZINC000421346547 394504797 /nfs/dbraw/zinc/50/47/97/394504797.db2.gz TWHCEBCIQFRRGG-MRXNPFEDSA-N 0 3 275.371 2.469 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CS[C@@H](C)C2)CC1 ZINC000413237614 394510096 /nfs/dbraw/zinc/51/00/96/394510096.db2.gz LFLHNDDTKQNELG-JSGCOSHPSA-N 0 3 297.468 2.220 20 30 CEEDHN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@@H]1CCn2cncc2C1 ZINC000328979511 394558913 /nfs/dbraw/zinc/55/89/13/394558913.db2.gz XMASIAQBKSITGL-ZWNOBZJWSA-N 0 3 285.351 2.203 20 30 CEEDHN N#Cc1c(Cl)cccc1N1CCN2CCC[C@H]2C1 ZINC000250791836 394564959 /nfs/dbraw/zinc/56/49/59/394564959.db2.gz SBXPOGYXJRJBEV-NSHDSACASA-N 0 3 261.756 2.496 20 30 CEEDHN CCOc1cccnc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000329535098 394570757 /nfs/dbraw/zinc/57/07/57/394570757.db2.gz ZCASWXVHHAKJME-GFCCVEGCSA-N 0 3 289.379 2.435 20 30 CEEDHN O=C(CN1C[C@@H]2CC[C@H](O)[C@@H]2C1)NCC1CCCCC1 ZINC000329647423 394579213 /nfs/dbraw/zinc/57/92/13/394579213.db2.gz JTKLPNZMLNBJIE-ZNMIVQPWSA-N 0 3 280.412 2.226 20 30 CEEDHN O=C(CSc1cccnn1)NC1CCN(C2CC2)CC1 ZINC000329713072 394580941 /nfs/dbraw/zinc/58/09/41/394580941.db2.gz QZOBLOLYVFLCEF-UHFFFAOYSA-N 0 3 292.408 2.152 20 30 CEEDHN Cc1cc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cnn1 ZINC000329852449 394590122 /nfs/dbraw/zinc/59/01/22/394590122.db2.gz USJPSIDQILMMMM-CYBMUJFWSA-N 0 3 274.368 2.107 20 30 CEEDHN C=CCC[C@H](O)CN[C@@H](C[S@@](C)=O)c1ccccc1 ZINC000248556319 394543213 /nfs/dbraw/zinc/54/32/13/394543213.db2.gz IHRMTTXCWMVWEX-YZVOILCLSA-N 0 3 281.421 2.023 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000334282647 394671124 /nfs/dbraw/zinc/67/11/24/394671124.db2.gz IGEHCDHGDBFSMV-XJKSGUPXSA-N 0 3 277.412 2.259 20 30 CEEDHN N#Cc1cc2c(nc1N1CCN3CCC[C@@H]3C1)CCCC2 ZINC000094460875 394671263 /nfs/dbraw/zinc/67/12/63/394671263.db2.gz BNVFEKUXJZYOQP-OAHLLOKOSA-N 0 3 282.391 2.116 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000333593710 394649104 /nfs/dbraw/zinc/64/91/04/394649104.db2.gz TXRZVMZBSZSEIW-WMLDXEAASA-N 0 3 289.423 2.451 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCC[C@H]2C)CC1 ZINC000358990922 394736507 /nfs/dbraw/zinc/73/65/07/394736507.db2.gz BYOVSVIMYBPPOM-KGLIPLIRSA-N 0 3 279.428 2.372 20 30 CEEDHN Cc1ccc(C#N)c(NC[C@@]2(N(C)C)CCSC2)n1 ZINC000270940745 394742058 /nfs/dbraw/zinc/74/20/58/394742058.db2.gz JUIDPHYCKJBXEF-AWEZNQCLSA-N 0 3 276.409 2.111 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000335143566 394743147 /nfs/dbraw/zinc/74/31/47/394743147.db2.gz XOWRSDMLNMDGES-WCQYABFASA-N 0 3 260.312 2.376 20 30 CEEDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(F)cc1C#N ZINC000357001448 394678097 /nfs/dbraw/zinc/67/80/97/394678097.db2.gz MKPHLDFDSNTARD-NWDGAFQWSA-N 0 3 261.344 2.222 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000334729573 394707169 /nfs/dbraw/zinc/70/71/69/394707169.db2.gz DEWJNNRAXOEXMT-ZBFHGGJFSA-N 0 3 298.390 2.425 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)/C=C/c1cccc(C#N)c1 ZINC000103451723 394715646 /nfs/dbraw/zinc/71/56/46/394715646.db2.gz JSYHTDRACQACAN-VOTSOKGWSA-N 0 3 297.402 2.372 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359563017 394761489 /nfs/dbraw/zinc/76/14/89/394761489.db2.gz SBMIDVNXSCSFHF-KCQAQPDRSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CC[C@@H](CO)CNCc1nccn1-c1ccccc1 ZINC000359697988 394772489 /nfs/dbraw/zinc/77/24/89/394772489.db2.gz URIJHXZZXPHEOI-CQSZACIVSA-N 0 3 271.364 2.147 20 30 CEEDHN Cc1c(Cl)cnc(N2CC[C@H]3CCN(C)C[C@H]32)c1C#N ZINC000273393020 394787589 /nfs/dbraw/zinc/78/75/89/394787589.db2.gz VEJYZSJFBZPOQD-BXUZGUMPSA-N 0 3 290.798 2.446 20 30 CEEDHN CC#CCCN1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000335754610 394796349 /nfs/dbraw/zinc/79/63/49/394796349.db2.gz BRWITZMTZQMCJX-OAHLLOKOSA-N 0 3 251.370 2.060 20 30 CEEDHN CC(C#N)C(=O)N1CCC(OC2CCCC2)CC1 ZINC000335833173 394802521 /nfs/dbraw/zinc/80/25/21/394802521.db2.gz DIWBJQZLQFHKCR-NSHDSACASA-N 0 3 250.342 2.096 20 30 CEEDHN CC#CCCNCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000360956926 394811691 /nfs/dbraw/zinc/81/16/91/394811691.db2.gz JFZPYUUSTUAVCG-UHFFFAOYSA-N 0 3 283.331 2.308 20 30 CEEDHN COc1cc2c(cc1Cl)CN(C(=O)C(C)C#N)CC2 ZINC000335989319 394817156 /nfs/dbraw/zinc/81/71/56/394817156.db2.gz WEOWBGMAGPWPFH-SECBINFHSA-N 0 3 278.739 2.393 20 30 CEEDHN CN1CC[C@@]2(CCN(c3nccc(C#N)c3Cl)C2)C1 ZINC000336815619 394879403 /nfs/dbraw/zinc/87/94/03/394879403.db2.gz IHZLBIIJHHFAFA-CQSZACIVSA-N 0 3 276.771 2.139 20 30 CEEDHN C[C@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@@H]1CO ZINC000362070711 394843167 /nfs/dbraw/zinc/84/31/67/394843167.db2.gz HAFTUQUSMWOIGN-GXTWGEPZSA-N 0 3 263.768 2.252 20 30 CEEDHN CC(C#N)C(=O)NCc1cc(F)ccc1Br ZINC000336346677 394845502 /nfs/dbraw/zinc/84/55/02/394845502.db2.gz PCCGSAPVEVMMBI-SSDOTTSWSA-N 0 3 285.116 2.364 20 30 CEEDHN CN(C)CC1(NC(=O)Nc2ccc(F)cc2C#N)CCC1 ZINC000281370422 394854642 /nfs/dbraw/zinc/85/46/42/394854642.db2.gz MRLOZIXWBXLIGY-UHFFFAOYSA-N 0 3 290.342 2.303 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000336491656 394859027 /nfs/dbraw/zinc/85/90/27/394859027.db2.gz MFGGCKAHARGMIU-WBMJQRKESA-N 0 3 270.332 2.142 20 30 CEEDHN C=C(C)CN(CC)C(=O)NC1CCN(CCCOC)CC1 ZINC000339375774 394957252 /nfs/dbraw/zinc/95/72/52/394957252.db2.gz GYWOQPTWUSEAPF-UHFFFAOYSA-N 0 3 297.443 2.095 20 30 CEEDHN Cn1cc(CN[C@]2(CO)CCCc3ccccc32)cc1C#N ZINC000282049104 394902570 /nfs/dbraw/zinc/90/25/70/394902570.db2.gz AZGCYEHNFMNUAF-SFHVURJKSA-N 0 3 295.386 2.210 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)NCC#Cc1cccc(F)c1 ZINC000338156306 394908148 /nfs/dbraw/zinc/90/81/48/394908148.db2.gz XGAFXQJKESQZHF-INIZCTEOSA-N 0 3 288.366 2.168 20 30 CEEDHN C=C(C)CCN1[C@@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000338361682 394917417 /nfs/dbraw/zinc/91/74/17/394917417.db2.gz RWCDJEIWWUECEM-YIYPIFLZSA-N 0 3 267.369 2.136 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(C)n(C)n1 ZINC000282801346 394925084 /nfs/dbraw/zinc/92/50/84/394925084.db2.gz QTWAXKBVZSXJAI-IPYPFGDCSA-N 0 3 263.385 2.360 20 30 CEEDHN CC#CC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000283368131 394932618 /nfs/dbraw/zinc/93/26/18/394932618.db2.gz CAWAXXFYDGTSDY-INIZCTEOSA-N 0 3 284.403 2.427 20 30 CEEDHN C=CCOCCN1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000338911659 394933189 /nfs/dbraw/zinc/93/31/89/394933189.db2.gz HLYWHUHWFWRBPC-HNNXBMFYSA-N 0 3 294.439 2.160 20 30 CEEDHN CC#CCN[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000283644194 394936711 /nfs/dbraw/zinc/93/67/11/394936711.db2.gz AUURLYMCIQNIFZ-LSDHHAIUSA-N 0 3 264.319 2.323 20 30 CEEDHN CC#CC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000283733593 394937197 /nfs/dbraw/zinc/93/71/97/394937197.db2.gz FWKQXPQJAMEPBQ-INIZCTEOSA-N 0 3 272.392 2.283 20 30 CEEDHN C#CCN(C[C@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000284077056 394940510 /nfs/dbraw/zinc/94/05/10/394940510.db2.gz LDGIRNSUDLYSOW-LJQANCHMSA-N 0 3 298.430 2.375 20 30 CEEDHN CCCCN(CC(=O)N(CC)C[C@@H](C)C#N)C1CC1 ZINC000339089803 394942010 /nfs/dbraw/zinc/94/20/10/394942010.db2.gz BSHDNBTWMPPEOT-ZDUSSCGKSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCOCCN(C)[C@@H](COC)Cc1ccccc1 ZINC000339120787 394944032 /nfs/dbraw/zinc/94/40/32/394944032.db2.gz RULMILSEQQBFPF-MRXNPFEDSA-N 0 3 263.381 2.379 20 30 CEEDHN CN(C(=O)CN1C[C@@H]2CCC[C@H]2C1)C1(C#N)CCCCC1 ZINC000152887784 394999057 /nfs/dbraw/zinc/99/90/57/394999057.db2.gz RFVVMYVWHONMQP-GJZGRUSLSA-N 0 3 289.423 2.403 20 30 CEEDHN C=CCCOCCCCC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000342982681 395028781 /nfs/dbraw/zinc/02/87/81/395028781.db2.gz YQIMVXSTUWYMIK-CABCVRRESA-N 0 3 294.439 2.491 20 30 CEEDHN Cc1cc(C#N)nc(NC[C@@H](C)N2CCC[C@@H](C)C2)n1 ZINC000286080396 395009304 /nfs/dbraw/zinc/00/93/04/395009304.db2.gz JRUJABKHFVTWHH-DGCLKSJQSA-N 0 3 273.384 2.189 20 30 CEEDHN C#CC(C)(C)N(C)C[C@@H](O)COc1ccc(OCC)cc1 ZINC000286255400 395018227 /nfs/dbraw/zinc/01/82/27/395018227.db2.gz SKJOOBMIKGLUFL-CQSZACIVSA-N 0 3 291.391 2.169 20 30 CEEDHN CN(C)[C@@H](CC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000416142248 395021540 /nfs/dbraw/zinc/02/15/40/395021540.db2.gz GDYJUVJDCYYFLU-AWEZNQCLSA-N 0 3 271.364 2.242 20 30 CEEDHN CN(C)[C@@H](CC(=O)NCCCCC#N)c1ccccc1 ZINC000416152684 395022780 /nfs/dbraw/zinc/02/27/80/395022780.db2.gz YJQOBFWRHYRVPH-HNNXBMFYSA-N 0 3 273.380 2.489 20 30 CEEDHN Cc1ccnc(N2C[C@@H](N3CCCC3)C[C@@H]2C)c1C#N ZINC000286525806 395023484 /nfs/dbraw/zinc/02/34/84/395023484.db2.gz ZZSLGUHLHCQBLX-KBPBESRZSA-N 0 3 270.380 2.325 20 30 CEEDHN C=CCC[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccco1 ZINC000285551627 394958382 /nfs/dbraw/zinc/95/83/82/394958382.db2.gz GQMUKMOEBOGMRE-QWHCGFSZSA-N 0 3 283.393 2.311 20 30 CEEDHN C=CCCOCCCCC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000342871056 395025480 /nfs/dbraw/zinc/02/54/80/395025480.db2.gz MTLFBTHMEPPJGU-MRXNPFEDSA-N 0 3 294.439 2.445 20 30 CEEDHN CC(C)NC(=O)CCN[C@H](C)c1ccc(OCC#N)cc1 ZINC000135726417 394967975 /nfs/dbraw/zinc/96/79/75/394967975.db2.gz KGQZOZNALKYMTR-CYBMUJFWSA-N 0 3 289.379 2.154 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)C(C)(F)F)CC1 ZINC000340000336 394976467 /nfs/dbraw/zinc/97/64/67/394976467.db2.gz USWSJJUVJSGZMM-LLVKDONJSA-N 0 3 274.355 2.434 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCC[C@H]2OC)CC1 ZINC000339999754 394976691 /nfs/dbraw/zinc/97/66/91/394976691.db2.gz QNRBDIUFCNYART-JKSUJKDBSA-N 0 3 294.439 2.348 20 30 CEEDHN CC(C)(C)[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000344207030 395051768 /nfs/dbraw/zinc/05/17/68/395051768.db2.gz IJUUMRMXSHOALR-CZUORRHYSA-N 0 3 277.412 2.163 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000373186884 395056121 /nfs/dbraw/zinc/05/61/21/395056121.db2.gz RXQMNOZMMMHCDX-KKUMJFAQSA-N 0 3 279.428 2.467 20 30 CEEDHN Cc1ccc(C#N)c(NC2CCN(C3CC3)CC2)n1 ZINC000160435913 395061115 /nfs/dbraw/zinc/06/11/15/395061115.db2.gz OOAJQOQSDAMCQQ-UHFFFAOYSA-N 0 3 256.353 2.300 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(C)(F)F)C(C)C ZINC000288718017 395065796 /nfs/dbraw/zinc/06/57/96/395065796.db2.gz ZTRMTDUNZVSISB-LBPRGKRZSA-N 0 3 274.355 2.456 20 30 CEEDHN C(#Cc1ccccc1)CN1CCC[C@H](c2nc[nH]n2)C1 ZINC000373812275 395066496 /nfs/dbraw/zinc/06/64/96/395066496.db2.gz LEKPENDBWYLPKS-HNNXBMFYSA-N 0 3 266.348 2.036 20 30 CEEDHN C#Cc1ccc(CN2CCC3(CC2)OCCO3)cc1 ZINC000289176620 395071756 /nfs/dbraw/zinc/07/17/56/395071756.db2.gz SJHXJYYAPNNKQP-UHFFFAOYSA-N 0 3 257.333 2.007 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000345776855 395076570 /nfs/dbraw/zinc/07/65/70/395076570.db2.gz JZTHCPNMNIDXOO-VIFPVBQESA-N 0 3 286.253 2.404 20 30 CEEDHN C#C[C@H](NCc1cn(C)nc1-c1cccnc1)C(C)C ZINC000289590259 395081191 /nfs/dbraw/zinc/08/11/91/395081191.db2.gz UNMLAXMOCOVHSQ-HNNXBMFYSA-N 0 3 268.364 2.230 20 30 CEEDHN C=CCCCN1[C@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000374511193 395083020 /nfs/dbraw/zinc/08/30/20/395083020.db2.gz ATBHVFIHDRYRCL-ZOBORPQBSA-N 0 3 267.369 2.136 20 30 CEEDHN CC(C#N)C(=O)NC(C)(C)c1cc(C(F)(F)F)on1 ZINC000346013315 395084490 /nfs/dbraw/zinc/08/44/90/395084490.db2.gz IPENZTXXJKSICA-ZCFIWIBFSA-N 0 3 275.230 2.204 20 30 CEEDHN C=CCc1cc(CN(C)[C@@H]2CCC[C@H]2O)cc(OC)c1O ZINC000289758993 395085688 /nfs/dbraw/zinc/08/56/88/395085688.db2.gz QWIRQPIWTDWTES-HUUCEWRRSA-N 0 3 291.391 2.475 20 30 CEEDHN C=C[C@H](CO)N[C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000289870752 395089842 /nfs/dbraw/zinc/08/98/42/395089842.db2.gz RLTIOTXQDINQDK-DAXOMENPSA-N 0 3 289.375 2.305 20 30 CEEDHN C=CCOc1ccccc1CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000346322687 395095491 /nfs/dbraw/zinc/09/54/91/395095491.db2.gz SYYYMOXSUSBGGR-BPUTZDHNSA-N 0 3 273.376 2.454 20 30 CEEDHN CCOC(=O)COc1ccc(CNCCCC#N)cc1 ZINC000346319603 395095557 /nfs/dbraw/zinc/09/55/57/395095557.db2.gz CGZVBSXZSWPJJG-UHFFFAOYSA-N 0 3 276.336 2.022 20 30 CEEDHN C#CCCCN1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000375765808 395097315 /nfs/dbraw/zinc/09/73/15/395097315.db2.gz XZKATFYHUMBISN-OAHLLOKOSA-N 0 3 278.396 2.487 20 30 CEEDHN N#CCCCCN[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000171715226 395097543 /nfs/dbraw/zinc/09/75/43/395097543.db2.gz LAERMNHDSIXDAV-HNNXBMFYSA-N 0 3 271.364 2.290 20 30 CEEDHN C#CCNC(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000156480240 395032544 /nfs/dbraw/zinc/03/25/44/395032544.db2.gz XNBIELDJKOVWCT-DOTOQJQBSA-N 0 3 299.418 2.487 20 30 CEEDHN C[C@H]1[C@@H](Nc2cc(C#N)c3ccccc3n2)CCCN1C ZINC000343597538 395042626 /nfs/dbraw/zinc/04/26/26/395042626.db2.gz HXIJZEQVMINLOD-WFASDCNBSA-N 0 3 280.375 2.423 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1c(C#N)cccc1C#N ZINC000436411553 395115455 /nfs/dbraw/zinc/11/54/55/395115455.db2.gz QGNWHPSEKREWFW-ABAIWWIYSA-N 0 3 266.348 2.325 20 30 CEEDHN CC(C)C[C@@H]1CCCCN1CC(=O)NC1(C#N)CCC1 ZINC000347003026 395115788 /nfs/dbraw/zinc/11/57/88/395115788.db2.gz XFAUQDLQNYVMJO-AWEZNQCLSA-N 0 3 277.412 2.449 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000376326016 395116118 /nfs/dbraw/zinc/11/61/18/395116118.db2.gz VGEWYVOFOITTSJ-RDJZCZTQSA-N 0 3 299.418 2.220 20 30 CEEDHN C=CCN1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000376458156 395121253 /nfs/dbraw/zinc/12/12/53/395121253.db2.gz OHIYWLUULSVYMT-MLGOLLRUSA-N 0 3 297.362 2.066 20 30 CEEDHN CC[C@H](C)[C@@H](C)N(CC(=O)NC1(C#N)CCC1)C1CC1 ZINC000346861831 395110349 /nfs/dbraw/zinc/11/03/49/395110349.db2.gz YRBGYGCJUUZFFF-QWHCGFSZSA-N 0 3 277.412 2.448 20 30 CEEDHN CN(CCC1CCCCC1)CC(=O)NC1(C#N)CCC1 ZINC000346875849 395111758 /nfs/dbraw/zinc/11/17/58/395111758.db2.gz CYAIUEOMPNDPKW-UHFFFAOYSA-N 0 3 277.412 2.451 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@](C)(OC)C1 ZINC000348207789 395138062 /nfs/dbraw/zinc/13/80/62/395138062.db2.gz YIXRZBFDXLCINJ-ZBFHGGJFSA-N 0 3 282.428 2.300 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)CCc2ccc(C#N)cc2)CN1C1CC1 ZINC000177134770 395146382 /nfs/dbraw/zinc/14/63/82/395146382.db2.gz AKKCBQDPFYPXJE-CJNGLKHVSA-N 0 3 297.402 2.232 20 30 CEEDHN CC1=C[C@H](C)CN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000430266169 395163452 /nfs/dbraw/zinc/16/34/52/395163452.db2.gz GOIWPDHPDSYTRV-BBRMVZONSA-N 0 3 286.375 2.196 20 30 CEEDHN CCCCCn1cc(CNC(=O)C(C)C#N)c(C)n1 ZINC000348912761 395154919 /nfs/dbraw/zinc/15/49/19/395154919.db2.gz SOMYRTKFYXZWMM-NSHDSACASA-N 0 3 262.357 2.158 20 30 CEEDHN C=CCNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000505727607 395167937 /nfs/dbraw/zinc/16/79/37/395167937.db2.gz ROVCCLBSEYNPSK-UKRRQHHQSA-N 0 3 275.396 2.471 20 30 CEEDHN CCC(C)(C)CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000432295910 395170267 /nfs/dbraw/zinc/17/02/67/395170267.db2.gz JEXQRMGSUZJTGD-ZDUSSCGKSA-N 0 3 259.353 2.110 20 30 CEEDHN N#Cc1ccccc1OCCN1CC[C@@H]2OCC[C@@H]2C1 ZINC000515299496 395174770 /nfs/dbraw/zinc/17/47/70/395174770.db2.gz JSBWXJUEKTVDAE-ZBFHGGJFSA-N 0 3 272.348 2.048 20 30 CEEDHN C=CCOCCN(C)CCOc1ccc(F)cc1 ZINC000293377019 395230798 /nfs/dbraw/zinc/23/07/98/395230798.db2.gz GABXYUBMXNSXKB-UHFFFAOYSA-N 0 3 253.317 2.339 20 30 CEEDHN C=C(C)CCN1CCN(C(=O)N(C)C)CC1(C)C ZINC000351730505 395232580 /nfs/dbraw/zinc/23/25/80/395232580.db2.gz PBINLYOONAPSIP-UHFFFAOYSA-N 0 3 253.390 2.030 20 30 CEEDHN C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H](C)N1C ZINC000293549165 395239549 /nfs/dbraw/zinc/23/95/49/395239549.db2.gz YUECNJWAJXZRFQ-OKILXGFUSA-N 0 3 260.356 2.202 20 30 CEEDHN C=C(C)CCN(CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000351870551 395239855 /nfs/dbraw/zinc/23/98/55/395239855.db2.gz NDQQIPTXBYOZGB-ZDUSSCGKSA-N 0 3 259.415 2.242 20 30 CEEDHN C#CCN(C)CCCNc1nc(C)c(C#N)cc1Cl ZINC000292657354 395202031 /nfs/dbraw/zinc/20/20/31/395202031.db2.gz CEZHWXPJJIZFPR-UHFFFAOYSA-N 0 3 276.771 2.282 20 30 CEEDHN N#Cc1ccc(CN[C@]2(CO)COc3ccccc3C2)cc1 ZINC000527768616 395281028 /nfs/dbraw/zinc/28/10/28/395281028.db2.gz QSKAYURWPKDUKT-GOSISDBHSA-N 0 3 294.354 2.014 20 30 CEEDHN C=CCN(CC1CCCCC1)[C@H]1CCN(C)C1=O ZINC000411268095 395324858 /nfs/dbraw/zinc/32/48/58/395324858.db2.gz ZVMIVMDCDYQDHD-AWEZNQCLSA-N 0 3 250.386 2.285 20 30 CEEDHN Cc1cn[nH]c1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000527813221 395281898 /nfs/dbraw/zinc/28/18/98/395281898.db2.gz WJVSUYJABLSBEI-UHFFFAOYSA-N 0 3 296.374 2.385 20 30 CEEDHN C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)[C@@H](C)CN1 ZINC000420243981 395284626 /nfs/dbraw/zinc/28/46/26/395284626.db2.gz YAVQUGBDABNYHT-BDAKNGLRSA-N 0 3 284.285 2.159 20 30 CEEDHN Cc1cc(NC[C@H]2CCN2C2CCCC2)c(C#N)cn1 ZINC000528213044 395287313 /nfs/dbraw/zinc/28/73/13/395287313.db2.gz WNAYURAUSYEFFH-OAHLLOKOSA-N 0 3 270.380 2.112 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528784589 395295116 /nfs/dbraw/zinc/29/51/16/395295116.db2.gz POEUTLXHIPCDCW-GUXCAODWSA-N 0 3 288.416 2.352 20 30 CEEDHN CC(C#N)C(=O)NCCc1cn(C)c2cc(F)ccc12 ZINC000354113901 395315895 /nfs/dbraw/zinc/31/58/95/395315895.db2.gz AIZQHUBOCSOMSP-JTQLQIEISA-N 0 3 273.311 2.136 20 30 CEEDHN CN(C)C(=O)[C@@H]1CCCN1CCC1(C#N)CCCCC1 ZINC000411153063 395320969 /nfs/dbraw/zinc/32/09/69/395320969.db2.gz HKXBJZNFPHETRG-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN N#CC1(CCN2CCC(CC(N)=O)CC2)CCCCC1 ZINC000411174761 395321628 /nfs/dbraw/zinc/32/16/28/395321628.db2.gz PDRAYYLZNXZTEN-UHFFFAOYSA-N 0 3 277.412 2.438 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N1CCCN(C(C)C)CC1 ZINC000352491683 395260419 /nfs/dbraw/zinc/26/04/19/395260419.db2.gz HRGQABBGQXLLRE-MRXNPFEDSA-N 0 3 282.428 2.158 20 30 CEEDHN C=CCN(CCCCCS(=O)(=O)CC)C1CC1 ZINC000355257839 395385521 /nfs/dbraw/zinc/38/55/21/395385521.db2.gz JWQKEQWBSGDITN-UHFFFAOYSA-N 0 3 259.415 2.242 20 30 CEEDHN Cc1ccc(C(=O)NCCN[C@H]2CC[C@@H](C#N)C2)cc1F ZINC000442724410 395391908 /nfs/dbraw/zinc/39/19/08/395391908.db2.gz ZKIWTMNNNYMLFM-OCCSQVGLSA-N 0 3 289.354 2.146 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCCOc2ccc3c(c2)OCO3)C1 ZINC000442710471 395392140 /nfs/dbraw/zinc/39/21/40/395392140.db2.gz CDTALQJUFWNLKH-NWDGAFQWSA-N 0 3 274.320 2.076 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCCNC(=O)c2ccc(Cl)cc2)C1 ZINC000442788615 395395081 /nfs/dbraw/zinc/39/50/81/395395081.db2.gz WYNPTUMLMLQOAW-BXUZGUMPSA-N 0 3 291.782 2.352 20 30 CEEDHN C=CCN(C)CCN(CC)CCc1scnc1C ZINC000411634755 395333992 /nfs/dbraw/zinc/33/39/92/395333992.db2.gz ASVLQKROWAGTQJ-UHFFFAOYSA-N 0 3 267.442 2.434 20 30 CEEDHN COc1ccc(C(=O)C(C#N)c2ccncn2)cc1F ZINC000354460042 395334425 /nfs/dbraw/zinc/33/44/25/395334425.db2.gz FJQINASIIBLCCJ-JTQLQIEISA-N 0 3 271.251 2.114 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2CC=CC2)cc1 ZINC000529709681 395435109 /nfs/dbraw/zinc/43/51/09/395435109.db2.gz PPXWRPLALNPQCW-MRXNPFEDSA-N 0 3 279.343 2.323 20 30 CEEDHN N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2C2CCCCC2)c1 ZINC000529724107 395440149 /nfs/dbraw/zinc/44/01/49/395440149.db2.gz WNBMAOIIUXJUQD-AWEZNQCLSA-N 0 3 286.379 2.023 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NCc1ccccc1CN(C)C ZINC000448594612 395521298 /nfs/dbraw/zinc/52/12/98/395521298.db2.gz BVUUKTQTROAERU-UHFFFAOYSA-N 0 3 296.374 2.186 20 30 CEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)[C@H]1CC2CCC1CC2 ZINC000568102488 395548794 /nfs/dbraw/zinc/54/87/94/395548794.db2.gz XZPUXLMKBUYXMR-HTXSYXIBSA-N 0 3 277.412 2.339 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc2c(c1)sc(=O)n2C ZINC000449521201 395552896 /nfs/dbraw/zinc/55/28/96/395552896.db2.gz RCYPVSHUPXRLAA-YPMHNXCESA-N 0 3 290.388 2.033 20 30 CEEDHN CC[C@@H]1CN(CC)CCN1Cc1ccc(C#N)c(OC)c1 ZINC000449567111 395555307 /nfs/dbraw/zinc/55/53/07/395555307.db2.gz UEKHXHBHCCVMCD-MRXNPFEDSA-N 0 3 287.407 2.483 20 30 CEEDHN CN(C)CCN(C(=O)c1ccc(C#N)c(Cl)c1)C1CC1 ZINC000569141758 395573682 /nfs/dbraw/zinc/57/36/82/395573682.db2.gz FFARWGVUJAJSNL-UHFFFAOYSA-N 0 3 291.782 2.378 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N(C)CCN(C)C2CC2)c1 ZINC000455955349 395632303 /nfs/dbraw/zinc/63/23/03/395632303.db2.gz NJCXMLUVLUQRTA-UHFFFAOYSA-N 0 3 286.379 2.425 20 30 CEEDHN COc1ccc(CN2CCN(C)[C@@H](C(C)C)C2)cc1C#N ZINC000487967761 395667680 /nfs/dbraw/zinc/66/76/80/395667680.db2.gz DCYHABISXNXDAH-MRXNPFEDSA-N 0 3 287.407 2.339 20 30 CEEDHN C#CC(C)(C)N(C)CCC(=O)N1CCOc2ccccc21 ZINC000491475420 395669938 /nfs/dbraw/zinc/66/99/38/395669938.db2.gz WQGXFSYQFIQVTO-UHFFFAOYSA-N 0 3 286.375 2.146 20 30 CEEDHN CN(C)C1(CNC(=O)/C=C\c2ccc(C#N)cc2)CCC1 ZINC000491967591 395670884 /nfs/dbraw/zinc/67/08/84/395670884.db2.gz YFYUSNFLFPNBNI-HJWRWDBZSA-N 0 3 283.375 2.172 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(=O)NC2CC2)cc1 ZINC000648744947 395973254 /nfs/dbraw/zinc/97/32/54/395973254.db2.gz KTIFABOSPQNYKT-CVEARBPZSA-N 0 3 286.375 2.012 20 30 CEEDHN C=CCOCCN1CCN(C)C[C@H]1Cc1ccccc1 ZINC000649827539 396269431 /nfs/dbraw/zinc/26/94/31/396269431.db2.gz RCGNHFKZPFXTMY-QGZVFWFLSA-N 0 3 274.408 2.048 20 30 CEEDHN C=CCN(CC=C)C[C@@H](O)COc1ccc(C)cc1 ZINC000046345376 400167924 /nfs/dbraw/zinc/16/79/24/400167924.db2.gz CCJRGNRMSOUEQT-OAHLLOKOSA-N 0 3 261.365 2.409 20 30 CEEDHN C=CCCCCCN(C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000150901827 400281541 /nfs/dbraw/zinc/28/15/41/400281541.db2.gz YQMJHFFEQJQVHB-HUUCEWRRSA-N 0 3 282.428 2.300 20 30 CEEDHN C=C(C)[C@H](CC(=O)NCCN1CCCC[C@@H]1C)OCC ZINC000339423054 400363772 /nfs/dbraw/zinc/36/37/72/400363772.db2.gz ICEDCTULADORGB-GJZGRUSLSA-N 0 3 282.428 2.348 20 30 CEEDHN C=C(C)[C@H](CC(=O)NCCN1CCCC[C@H]1C)OCC ZINC000339423052 400363784 /nfs/dbraw/zinc/36/37/84/400363784.db2.gz ICEDCTULADORGB-CABCVRRESA-N 0 3 282.428 2.348 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC000345937345 400369717 /nfs/dbraw/zinc/36/97/17/400369717.db2.gz OZHHJFFMPSIKMV-HZPDHXFCSA-N 0 3 294.439 2.204 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)c1cscc1C#N ZINC000432705141 400576756 /nfs/dbraw/zinc/57/67/56/400576756.db2.gz IDKVECGFUHFQKV-LLVKDONJSA-N 0 3 277.393 2.224 20 30 CEEDHN N#Cc1ccc([C@@H](NCCCc2ccccc2)C(N)=O)cc1 ZINC000360074452 155208982 /nfs/dbraw/zinc/20/89/82/155208982.db2.gz IXMYFBNZBNJOSB-QGZVFWFLSA-N 0 3 293.370 2.307 20 30 CEEDHN COC(=O)[C@H](C)CN(Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000191984118 153200188 /nfs/dbraw/zinc/20/01/88/153200188.db2.gz NHAQMEMESVCVAQ-LLVKDONJSA-N 0 3 290.338 2.471 20 30 CEEDHN C[C@@H](O)C[C@@H]1CCCN1Cc1cccc(C#N)c1F ZINC000223566984 153318171 /nfs/dbraw/zinc/31/81/71/153318171.db2.gz KAZBTGGWHUZICT-RISCZKNCSA-N 0 3 262.328 2.433 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCO[C@@H]2C2CC2)c(F)c1 ZINC000230313545 153389464 /nfs/dbraw/zinc/38/94/64/153389464.db2.gz WMPLEDSJRUZHCR-LSDHHAIUSA-N 0 3 260.312 2.354 20 30 CEEDHN CCN1CCC(Nc2c(C#N)cccc2C#N)CC1 ZINC000302859257 154197829 /nfs/dbraw/zinc/19/78/29/154197829.db2.gz UEBAQMSGXNSVRS-UHFFFAOYSA-N 0 3 254.337 2.326 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@@H](c3nc[nH]n3)C2)c1F ZINC000332371014 154220713 /nfs/dbraw/zinc/22/07/13/154220713.db2.gz WSDUWCRDNKYFNF-CYBMUJFWSA-N 0 3 285.326 2.195 20 30 CEEDHN CN(Cc1ccc(C#N)o1)C1CCN(c2ncccn2)CC1 ZINC000367467270 156192947 /nfs/dbraw/zinc/19/29/47/156192947.db2.gz LJRPAPYBVQJETH-UHFFFAOYSA-N 0 3 297.362 2.042 20 30 CEEDHN Cc1cc(C#N)nc(N2CCC[C@H](N3CCCCC3)C2)n1 ZINC000376188569 157194109 /nfs/dbraw/zinc/19/41/09/157194109.db2.gz QKPMWYLOMVWOKR-HNNXBMFYSA-N 0 3 285.395 2.111 20 30 CEEDHN C[C@@H](NCC1(N(C)C)CC1)c1ccc(C#N)cc1F ZINC000417353492 287017851 /nfs/dbraw/zinc/01/78/51/287017851.db2.gz JACPULQVJJUKCZ-LLVKDONJSA-N 0 3 261.344 2.442 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)CC1(F)CC1 ZINC000558416032 298586860 /nfs/dbraw/zinc/58/68/60/298586860.db2.gz JBODYUACHNSCIE-UHFFFAOYSA-N 0 3 275.371 2.424 20 30 CEEDHN C[C@@H]1CCCCN1C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1 ZINC000329729794 287256628 /nfs/dbraw/zinc/25/66/28/287256628.db2.gz PIFHNBWZWOIAKX-MNOVXSKESA-N 0 3 262.357 2.055 20 30 CEEDHN C[C@@H]1CCCCN1C([O-])=[NH+][C@H]1CCc2nc[nH]c2C1 ZINC000329729794 287256631 /nfs/dbraw/zinc/25/66/31/287256631.db2.gz PIFHNBWZWOIAKX-MNOVXSKESA-N 0 3 262.357 2.055 20 30 CEEDHN C[C@@H](NCc1ccc(OCC#N)cc1)[C@H]1CCCO1 ZINC000035273794 172094068 /nfs/dbraw/zinc/09/40/68/172094068.db2.gz DAKIYQDCKVJWQM-IUODEOHRSA-N 0 3 260.337 2.246 20 30 CEEDHN C[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)N(C)C ZINC000285273748 196238201 /nfs/dbraw/zinc/23/82/01/196238201.db2.gz TVSSFOPSUJNZJT-NSHDSACASA-N 0 3 291.370 2.041 20 30 CEEDHN COC(=O)C(C)(C)CCNCc1ccc(C#N)c(OC)c1 ZINC000285665330 196359622 /nfs/dbraw/zinc/35/96/22/196359622.db2.gz ZJEYIQICAHFYSH-UHFFFAOYSA-N 0 3 290.363 2.246 20 30 CEEDHN C[C@@H](Cn1cccn1)N[C@@H](C)c1cccc(C#N)c1 ZINC000037320034 173119813 /nfs/dbraw/zinc/11/98/13/173119813.db2.gz HTJLCCBHDDGHAT-STQMWFEESA-N 0 3 254.337 2.494 20 30 CEEDHN C[C@H](Cn1ccnc1)N[C@@H](C)c1cccc(C#N)c1 ZINC000037320411 173120623 /nfs/dbraw/zinc/12/06/23/173120623.db2.gz KABJXLYUWGWMOG-OLZOCXBDSA-N 0 3 254.337 2.494 20 30 CEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)CNC ZINC000037495820 173234970 /nfs/dbraw/zinc/23/49/70/173234970.db2.gz PIBPFIMDALMOPH-UHFFFAOYSA-N 0 3 258.774 2.136 20 30 CEEDHN C=CCN(C(=O)c1cc2c(s1)CCNC2)[C@@H](C)COC ZINC000662853429 414774729 /nfs/dbraw/zinc/77/47/29/414774729.db2.gz DTABXTVSAATWKC-NSHDSACASA-N 0 3 294.420 2.057 20 30 CEEDHN C=CCN(C(=O)[C@H](C)[C@@H](N)c1ccccc1)[C@H](C)COC ZINC000662855046 414775649 /nfs/dbraw/zinc/77/56/49/414775649.db2.gz QFKWTPFSHPFZTN-IIAWOOMASA-N 0 3 290.407 2.372 20 30 CEEDHN C=CCCC(C)(C)NC(=O)[C@@H]1CNCCC1(F)F ZINC000662952043 414808672 /nfs/dbraw/zinc/80/86/72/414808672.db2.gz BTMYLEJEIDPXMX-JTQLQIEISA-N 0 3 260.328 2.092 20 30 CEEDHN C=CCCn1cc(CNCCN(C)Cc2ccccc2)nn1 ZINC000657324418 414860741 /nfs/dbraw/zinc/86/07/41/414860741.db2.gz BARSYNLITZSEGG-UHFFFAOYSA-N 0 3 299.422 2.076 20 30 CEEDHN C=CC[C@H](C)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660680485 414931680 /nfs/dbraw/zinc/93/16/80/414931680.db2.gz DOHIFMKMAWQWEQ-NWDGAFQWSA-N 0 3 253.390 2.123 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC3(CC3(F)F)C2)CC1 ZINC000654431735 414934510 /nfs/dbraw/zinc/93/45/10/414934510.db2.gz XZAXZXFPWYVLSO-UHFFFAOYSA-N 0 3 299.365 2.078 20 30 CEEDHN C=CCCn1cc(CNCCCc2ccc(O)cc2)nn1 ZINC000657364716 414886684 /nfs/dbraw/zinc/88/66/84/414886684.db2.gz OMYZRJGWUMNPES-UHFFFAOYSA-N 0 3 286.379 2.282 20 30 CEEDHN C=C(CC)CNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654585792 414979704 /nfs/dbraw/zinc/97/97/04/414979704.db2.gz DSCUTRHQEPRILV-UHFFFAOYSA-N 0 3 267.417 2.468 20 30 CEEDHN C=CCC1(NCc2ccncc2F)CCOCC1 ZINC000657635133 415033288 /nfs/dbraw/zinc/03/32/88/415033288.db2.gz WVTOECSCYVMBEB-UHFFFAOYSA-N 0 3 250.317 2.436 20 30 CEEDHN OC[C@H]1CCCCCN1CC#Cc1ccc(F)cc1 ZINC000653783963 415106150 /nfs/dbraw/zinc/10/61/50/415106150.db2.gz ZWBGORZDRGYXSJ-MRXNPFEDSA-N 0 3 261.340 2.414 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)Cc1ccc2c(c1)CCCC2 ZINC000657952662 415138852 /nfs/dbraw/zinc/13/88/52/415138852.db2.gz JAJLYWVFZIGSIP-CQSZACIVSA-N 0 3 286.419 2.388 20 30 CEEDHN C=CCCC(C)(C)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000664127552 415182005 /nfs/dbraw/zinc/18/20/05/415182005.db2.gz IJVGHYTUIBGYJI-LBPRGKRZSA-N 0 3 265.401 2.267 20 30 CEEDHN CC(C)N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000044572649 175210268 /nfs/dbraw/zinc/21/02/68/175210268.db2.gz WYZTWYQPACQQRQ-LBPRGKRZSA-N 0 3 274.324 2.361 20 30 CEEDHN C=CCCN[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000658113667 415218187 /nfs/dbraw/zinc/21/81/87/415218187.db2.gz IFGZTRKQPSPWER-CYBMUJFWSA-N 0 3 267.394 2.323 20 30 CEEDHN C=CCCCC[C@@H](C)[NH2+]Cc1nnc(COC)[n-]1 ZINC000658156039 415236040 /nfs/dbraw/zinc/23/60/40/415236040.db2.gz GNFDMQOGQRGXJZ-LLVKDONJSA-N 0 3 252.362 2.176 20 30 CEEDHN C=CCCNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000659023181 415392520 /nfs/dbraw/zinc/39/25/20/415392520.db2.gz WERZZFLZKXPFTA-UHFFFAOYSA-N 0 3 263.316 2.169 20 30 CEEDHN O[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C12CCC2 ZINC000661831651 415485946 /nfs/dbraw/zinc/48/59/46/415485946.db2.gz QDXLEMDGOZICOR-CABCVRRESA-N 0 3 259.324 2.070 20 30 CEEDHN C=CCN(CC[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000661759901 415448756 /nfs/dbraw/zinc/44/87/56/415448756.db2.gz LSUBPJNOBDTKPA-LBPRGKRZSA-N 0 3 259.415 2.098 20 30 CEEDHN C=C(C)[C@@H](CO)N1CC[C@H](N(C)c2ccccc2)C1 ZINC000662019374 415575141 /nfs/dbraw/zinc/57/51/41/415575141.db2.gz GRCAIDASDHOTHS-JKSUJKDBSA-N 0 3 260.381 2.134 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC2(CCCC2=O)CC1 ZINC000661956086 415541668 /nfs/dbraw/zinc/54/16/68/415541668.db2.gz VVOXVTPSQAXWBX-CYBMUJFWSA-N 0 3 251.370 2.149 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCCCC ZINC000662078112 415613279 /nfs/dbraw/zinc/61/32/79/415613279.db2.gz AVIKFXLQPCWKHO-MCIONIFRSA-N 0 3 250.386 2.474 20 30 CEEDHN C=C[C@H](CO)NCCOc1ccc2ccccc2c1 ZINC000662163643 415665680 /nfs/dbraw/zinc/66/56/80/415665680.db2.gz HIFJDGALRDBYAJ-OAHLLOKOSA-N 0 3 257.333 2.355 20 30 CEEDHN CN1CC[C@H](Nc2nc3ccccc3cc2C#N)C1 ZINC000071385839 176147587 /nfs/dbraw/zinc/14/75/87/176147587.db2.gz BCNYHRUSHBHSKM-ZDUSSCGKSA-N 0 3 252.321 2.222 20 30 CEEDHN C=CCN(Cc1cccs1)C[C@H]1CCC2(CNC2)O1 ZINC000662249285 415709158 /nfs/dbraw/zinc/70/91/58/415709158.db2.gz SEILOUWWZRURKU-CYBMUJFWSA-N 0 3 278.421 2.257 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N(C)CCCc1ccccc1 ZINC000076988837 177138917 /nfs/dbraw/zinc/13/89/17/177138917.db2.gz DNXFOEQSNGZOLV-OAHLLOKOSA-N 0 3 287.407 2.312 20 30 CEEDHN CC(C)N(CC(=O)N[C@](C)(C#N)C1CC1)C1CCC1 ZINC000077358021 177256948 /nfs/dbraw/zinc/25/69/48/177256948.db2.gz BKPADICGHZVBEW-OAHLLOKOSA-N 0 3 263.385 2.058 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CSC)CC1 ZINC000077663067 177292567 /nfs/dbraw/zinc/29/25/67/177292567.db2.gz AQFWYYPXNAEFMV-GFCCVEGCSA-N 0 3 285.457 2.078 20 30 CEEDHN C=CCN1C(=O)c2ccccc2N[C@H]1c1nc[nH]c1C ZINC000078752572 177381602 /nfs/dbraw/zinc/38/16/02/177381602.db2.gz AJEINNZEVUIQRL-CQSZACIVSA-N 0 3 268.320 2.471 20 30 CEEDHN COc1cc(CN2CCN(C)[C@H](C)[C@H]2C)ccc1C#N ZINC000442842631 225060559 /nfs/dbraw/zinc/06/05/59/225060559.db2.gz QTSDIXHVNBRUIF-CHWSQXEVSA-N 0 3 273.380 2.091 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000347073455 226014843 /nfs/dbraw/zinc/01/48/43/226014843.db2.gz QCSITQDHMQFFRL-WDEREUQCSA-N 0 3 274.320 2.012 20 30 CEEDHN CC(C#N)C(=O)NCCCCN(C)c1ccccc1 ZINC000347060534 226008751 /nfs/dbraw/zinc/00/87/51/226008751.db2.gz CYKCZURNLXSZRC-CYBMUJFWSA-N 0 3 259.353 2.179 20 30 CEEDHN CC(C#N)C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000347098899 226048608 /nfs/dbraw/zinc/04/86/08/226048608.db2.gz ZYHWWLIBDQGJBE-QMMMGPOBSA-N 0 3 290.710 2.166 20 30 CEEDHN COC(=O)[C@@H]1CCN(Cc2ccc(CC#N)cc2)[C@H]1C ZINC000347208587 226086637 /nfs/dbraw/zinc/08/66/37/226086637.db2.gz NQLXVHPZAPJSDQ-SWLSCSKDSA-N 0 3 272.348 2.136 20 30 CEEDHN CC(C#N)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000336556931 227115181 /nfs/dbraw/zinc/11/51/81/227115181.db2.gz NILOJNQZZOYFMP-SNVBAGLBSA-N 0 3 297.811 2.205 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)C[C@H](C)CC)CC1 ZINC000171907847 335084393 /nfs/dbraw/zinc/08/43/93/335084393.db2.gz CKVOTSGLRIUYRL-CYBMUJFWSA-N 0 3 267.417 2.324 20 30 CEEDHN O=C(NCCN1CCCCC1)c1c[nH]c2cccnc12 ZINC000329860287 227969818 /nfs/dbraw/zinc/96/98/18/227969818.db2.gz PIZDVKGVAUBZOK-UHFFFAOYSA-N 0 3 272.352 2.353 20 30 CEEDHN N#C[C@@H]1CCC[C@@H]1NC[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000331398898 228097430 /nfs/dbraw/zinc/09/74/30/228097430.db2.gz GUQVWCDARYQCFT-PVAVHDDUSA-N 0 3 297.402 2.431 20 30 CEEDHN Cc1nccn1C[C@H]1CCCN1C([O-])=[NH+]CC1(C)CC1 ZINC000330198323 228063310 /nfs/dbraw/zinc/06/33/10/228063310.db2.gz TVWIJRCSLRZQIN-CYBMUJFWSA-N 0 3 276.384 2.370 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000333022926 228187896 /nfs/dbraw/zinc/18/78/96/228187896.db2.gz AIDZOKSTEQTCFH-MCIONIFRSA-N 0 3 275.396 2.202 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCN(CCC)C1 ZINC000666923122 419478228 /nfs/dbraw/zinc/47/82/28/419478228.db2.gz FBRUFWHYXDDWGL-KGLIPLIRSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCN(C(=O)Nc1ccc2c(c1)CNCCO2)C1CC1 ZINC000667840535 419824074 /nfs/dbraw/zinc/82/40/74/419824074.db2.gz PKPMKBYKVYLAHR-UHFFFAOYSA-N 0 3 287.363 2.351 20 30 CEEDHN C=C[C@@H](CO)N[C@H]1CCCc2nc(Cl)ccc21 ZINC000297367290 260119772 /nfs/dbraw/zinc/11/97/72/260119772.db2.gz QGGTZCFFQYALLV-ONGXEEELSA-N 0 3 252.745 2.249 20 30 CEEDHN CC#CCN(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000298187868 260147756 /nfs/dbraw/zinc/14/77/56/260147756.db2.gz DSDYMCLNDWAGJS-WBVHZDCISA-N 0 3 299.418 2.172 20 30 CEEDHN CC1(C)[C@H](O)C[C@H]1NCC#Cc1ccccc1Cl ZINC000521267025 260379696 /nfs/dbraw/zinc/37/96/96/260379696.db2.gz KCIHYFVNXRIJOT-ZIAGYGMSSA-N 0 3 263.768 2.441 20 30 CEEDHN CC#CCCN1CCC(C(=O)N(C)CCCC)CC1 ZINC000155132395 260760481 /nfs/dbraw/zinc/76/04/81/260760481.db2.gz HJLFFICUHNXARQ-UHFFFAOYSA-N 0 3 264.413 2.370 20 30 CEEDHN CC(C)(C)NC(=O)C(C#N)c1nccn1Cc1ccccc1 ZINC000155470455 261102735 /nfs/dbraw/zinc/10/27/35/261102735.db2.gz SRWDPNIEGMKKOD-AWEZNQCLSA-N 0 3 296.374 2.453 20 30 CEEDHN C[C@@H]1CC[C@H](N(C)CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000429562922 269855779 /nfs/dbraw/zinc/85/57/79/269855779.db2.gz AARARHZSAVQOIZ-CJNGLKHVSA-N 0 3 285.391 2.295 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)CC)CC1 ZINC000106340565 261833998 /nfs/dbraw/zinc/83/39/98/261833998.db2.gz XJEQSADDXMMYBV-CYBMUJFWSA-N 0 3 267.417 2.467 20 30 CEEDHN C[C@H](C#N)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000309875098 262043776 /nfs/dbraw/zinc/04/37/76/262043776.db2.gz SWBWCGQMTTVEIS-CQSZACIVSA-N 0 3 285.391 2.269 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(Cn3cncn3)cc2)C1 ZINC000185771523 262069808 /nfs/dbraw/zinc/06/98/08/262069808.db2.gz FGQZKZNNBWLRMX-IAGOWNOFSA-N 0 3 295.390 2.498 20 30 CEEDHN C#CCCCC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000364328523 262202820 /nfs/dbraw/zinc/20/28/20/262202820.db2.gz CVKAQRYUJKFYTK-QGZVFWFLSA-N 0 3 299.418 2.213 20 30 CEEDHN CC(C)(C#N)CCCCN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000364354903 262214791 /nfs/dbraw/zinc/21/47/91/262214791.db2.gz RAORLPIMZGADOT-HOTGVXAUSA-N 0 3 293.455 2.237 20 30 CEEDHN CN1CC[C@H](CNC(=O)CC#N)[C@H]1c1cccc(Cl)c1 ZINC000364369551 262220058 /nfs/dbraw/zinc/22/00/58/262220058.db2.gz NDFDVWGTGZTTPN-IUODEOHRSA-N 0 3 291.782 2.363 20 30 CEEDHN C#CCN1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000364597006 262254839 /nfs/dbraw/zinc/25/48/39/262254839.db2.gz CPKYCPVIGXYUTC-CLLJXQQHSA-N 0 3 264.369 2.140 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCC12CCCC2 ZINC000364867101 262263424 /nfs/dbraw/zinc/26/34/24/262263424.db2.gz XWXNYBRCNQPTKA-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCOc1ccc(CN2C[C@@H](OC)[C@H](OC)C2)cc1 ZINC000488550178 262333955 /nfs/dbraw/zinc/33/39/55/262333955.db2.gz WRULHVBMSWMFGO-HZPDHXFCSA-N 0 3 277.364 2.097 20 30 CEEDHN CC[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280132329 263059175 /nfs/dbraw/zinc/05/91/75/263059175.db2.gz QQKDRAIIUPBBDO-CZUORRHYSA-N 0 3 281.359 2.499 20 30 CEEDHN CN(CCC(C)(C)C#N)[C@@H](CC(N)=O)c1ccccc1 ZINC000280264351 263060007 /nfs/dbraw/zinc/06/00/07/263060007.db2.gz CHXVZPLCEQFOJC-AWEZNQCLSA-N 0 3 273.380 2.475 20 30 CEEDHN C#C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000281883591 263072689 /nfs/dbraw/zinc/07/26/89/263072689.db2.gz FHEKPEVVOFTZNA-JKSUJKDBSA-N 0 3 279.343 2.015 20 30 CEEDHN C#C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)(C)C ZINC000288378670 263104052 /nfs/dbraw/zinc/10/40/52/263104052.db2.gz VIEPZZZSPJFXLI-HOTGVXAUSA-N 0 3 293.370 2.405 20 30 CEEDHN N#CCCCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289389230 263109674 /nfs/dbraw/zinc/10/96/74/263109674.db2.gz NIUNKCOFOXYFKA-UONOGXRCSA-N 0 3 286.331 2.101 20 30 CEEDHN Cc1cnn([C@@H]2CCN(CCCSCC#N)C2)c1 ZINC000290042826 263114264 /nfs/dbraw/zinc/11/42/64/263114264.db2.gz WOZZNHMOTLRYLG-CYBMUJFWSA-N 0 3 264.398 2.085 20 30 CEEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)CCCC#N ZINC000291977987 263127046 /nfs/dbraw/zinc/12/70/46/263127046.db2.gz UGWGDSQVHRKFBD-UHFFFAOYSA-N 0 3 291.370 2.410 20 30 CEEDHN CCc1ccc([C@H](C#N)NC(=O)/C=C/CN(C)C)cc1 ZINC000293502285 263141829 /nfs/dbraw/zinc/14/18/29/263141829.db2.gz RVMIKHCJIXDKJX-NFAHFFEMSA-N 0 3 271.364 2.048 20 30 CEEDHN C=C[C@H](CC(=O)NCCNc1ccncc1)c1ccccc1 ZINC000340513041 263182472 /nfs/dbraw/zinc/18/24/72/263182472.db2.gz RNXFLNFVPMTPJH-OAHLLOKOSA-N 0 3 295.386 2.392 20 30 CEEDHN CC(C)(NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000299607150 263249378 /nfs/dbraw/zinc/24/93/78/263249378.db2.gz MFQAUGOVSMMENB-KRWDZBQOSA-N 0 3 285.391 2.320 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 ZINC000340716092 263303668 /nfs/dbraw/zinc/30/36/68/263303668.db2.gz NNPOZEGQJYHNOJ-MNOVXSKESA-N 0 3 284.319 2.116 20 30 CEEDHN C=CCOCCCN1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000342001503 263374828 /nfs/dbraw/zinc/37/48/28/263374828.db2.gz WWFUIEYGRHPFPT-SFHVURJKSA-N 0 3 288.435 2.438 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000342103544 263387580 /nfs/dbraw/zinc/38/75/80/263387580.db2.gz MWGPBTCPQODWTR-GXTWGEPZSA-N 0 3 285.457 2.078 20 30 CEEDHN N#C[C@H]1CC[C@H](N2CCC(c3nnc4n3CCCC4)CC2)C1 ZINC000328832081 263875547 /nfs/dbraw/zinc/87/55/47/263875547.db2.gz LHGHTHBIZHZYGC-ZFWWWQNUSA-N 0 3 299.422 2.486 20 30 CEEDHN COc1cnc(NC(=O)N[C@@H](C)CN2CCCCC2)s1 ZINC000330722519 264025164 /nfs/dbraw/zinc/02/51/64/264025164.db2.gz HOPZBTPKKXMOKH-JTQLQIEISA-N 0 3 298.412 2.352 20 30 CEEDHN Cc1cc(NC(=O)NC[C@@H](C)N(C)C)cc2n[nH]cc21 ZINC000330763164 264031730 /nfs/dbraw/zinc/03/17/30/264031730.db2.gz ORNCFRYIKAGTMY-SNVBAGLBSA-N 0 3 275.356 2.147 20 30 CEEDHN Cc1cc(NC(=O)NC[C@H](C)N(C)C)cc2n[nH]cc21 ZINC000330763163 264032033 /nfs/dbraw/zinc/03/20/33/264032033.db2.gz ORNCFRYIKAGTMY-JTQLQIEISA-N 0 3 275.356 2.147 20 30 CEEDHN CC[C@@H]1C[C@H](C)CN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330944374 264084400 /nfs/dbraw/zinc/08/44/00/264084400.db2.gz IIYUCPUWQHSXDM-GZBFAFLISA-N 0 3 265.401 2.161 20 30 CEEDHN CCO[C@H](C)c1ncc(C(=O)NC[C@H]2CCN(C)C2)s1 ZINC000330919230 264093052 /nfs/dbraw/zinc/09/30/52/264093052.db2.gz NZXWNODGZOLGRX-GHMZBOCLSA-N 0 3 297.424 2.497 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000331197183 264159440 /nfs/dbraw/zinc/15/94/40/264159440.db2.gz NYIHXTAMUBJFPV-JYJNAYRXSA-N 0 3 286.375 2.179 20 30 CEEDHN COCCCN1CCC(NC(=O)N[C@@H]2CC[C@@H](C)C2)CC1 ZINC000331217837 264164879 /nfs/dbraw/zinc/16/48/79/264164879.db2.gz GREHQFYBXJEKOZ-UKRRQHHQSA-N 0 3 297.443 2.180 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CCCC(C)(C)[C@H]1CC=C ZINC000331311310 264186537 /nfs/dbraw/zinc/18/65/37/264186537.db2.gz ZQEQRFWWDPVYME-CYBMUJFWSA-N 0 3 293.411 2.269 20 30 CEEDHN CC(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1[O-] ZINC000331328564 264191512 /nfs/dbraw/zinc/19/15/12/264191512.db2.gz GXOPVYWTKIKUHV-CHWSQXEVSA-N 0 3 290.363 2.382 20 30 CEEDHN C=CCCCN(C)CC(=O)N1CCc2ccccc2C1 ZINC000076738171 264343578 /nfs/dbraw/zinc/34/35/78/264343578.db2.gz NULMDEYDTPAWTL-UHFFFAOYSA-N 0 3 272.392 2.469 20 30 CEEDHN N#CCCN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425503276 264364092 /nfs/dbraw/zinc/36/40/92/264364092.db2.gz RUFJPIXEYVQHAS-JKSUJKDBSA-N 0 3 255.365 2.106 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)C(C#N)CCc1ccccc1 ZINC000424928262 264381226 /nfs/dbraw/zinc/38/12/26/264381226.db2.gz YKMMSWHDBQPSBE-IKGGRYGDSA-N 0 3 298.386 2.466 20 30 CEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C#Cc1ccccc1 ZINC000288331426 264660407 /nfs/dbraw/zinc/66/04/07/264660407.db2.gz JMKCEEIJTQOLGC-DOTOQJQBSA-N 0 3 282.387 2.123 20 30 CEEDHN C=CCOCCN1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000294144315 265000103 /nfs/dbraw/zinc/00/01/03/265000103.db2.gz OMDMIJGSDFEVQR-QGZVFWFLSA-N 0 3 274.408 2.048 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](CC=C)c1ccccc1 ZINC000294048549 265004797 /nfs/dbraw/zinc/00/47/97/265004797.db2.gz TYKOSCBJPVSTCV-KRWDZBQOSA-N 0 3 284.403 2.418 20 30 CEEDHN C=CCCCCCN(C)CCNC(=O)NC(C)C ZINC000514600108 266012751 /nfs/dbraw/zinc/01/27/51/266012751.db2.gz NKWHSKXFLQWOQN-UHFFFAOYSA-N 0 3 255.406 2.372 20 30 CEEDHN CC(C#N)C(=O)NCCCCCC(=O)OC(C)(C)C ZINC000357061143 266240760 /nfs/dbraw/zinc/24/07/60/266240760.db2.gz RXGKMGWKWUYIIW-LLVKDONJSA-N 0 3 268.357 2.164 20 30 CEEDHN C#CCN[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000367252134 266240866 /nfs/dbraw/zinc/24/08/66/266240866.db2.gz LHOGPFLFCZKCNW-IAGOWNOFSA-N 0 3 270.376 2.196 20 30 CEEDHN CCCN(CC#N)C(=O)[C@H](C)N1CCCCCC1 ZINC000357791530 266363558 /nfs/dbraw/zinc/36/35/58/266363558.db2.gz ALTZKLQHZKQTBG-ZDUSSCGKSA-N 0 3 251.374 2.013 20 30 CEEDHN C=CCOCC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000357885213 266382877 /nfs/dbraw/zinc/38/28/77/266382877.db2.gz ZNFQOSGPYYBNJK-YOEHRIQHSA-N 0 3 290.407 2.305 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)c1cccc(F)c1C#N ZINC000188264882 267010852 /nfs/dbraw/zinc/01/08/52/267010852.db2.gz GLBWPDAVFJKQKY-GFCCVEGCSA-N 0 3 289.354 2.302 20 30 CEEDHN CCN(C[C@H]1CN(C)C(=O)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000496955911 267070154 /nfs/dbraw/zinc/07/01/54/267070154.db2.gz JNNKDJFMKHPDOV-SWLSCSKDSA-N 0 3 287.363 2.392 20 30 CEEDHN CC(C)(CCC#N)CN1CCN([C@@H]2CCSC2)CC1 ZINC000367540825 267097163 /nfs/dbraw/zinc/09/71/63/267097163.db2.gz AUCKSZIOVXSDJL-CQSZACIVSA-N 0 3 281.469 2.439 20 30 CEEDHN CCOC(=O)C1(CNCc2ccc(C#N)c(F)c2)CC1 ZINC000421342212 267114075 /nfs/dbraw/zinc/11/40/75/267114075.db2.gz LLKHIYDURRRJOO-UHFFFAOYSA-N 0 3 276.311 2.130 20 30 CEEDHN C#CC[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000367885124 267124818 /nfs/dbraw/zinc/12/48/18/267124818.db2.gz JZJAOSVPVSHNAT-UXLLHSPISA-N 0 3 299.418 2.360 20 30 CEEDHN CN1CC[C@@H](NCCCC#N)[C@@H]1c1ccc(F)cc1 ZINC000368056215 267143058 /nfs/dbraw/zinc/14/30/58/267143058.db2.gz JZFBXIVOAXKEIS-CABCVRRESA-N 0 3 261.344 2.464 20 30 CEEDHN CCSCC[C@H](C)NCc1cnc2c(C#N)cnn2c1 ZINC000519824575 267179752 /nfs/dbraw/zinc/17/97/52/267179752.db2.gz JOIBZADDJWFVBH-NSHDSACASA-N 0 3 289.408 2.222 20 30 CEEDHN CC[C@@H](NC[C@H](O)C(F)F)c1ccc(C#N)cc1 ZINC000436306141 267193910 /nfs/dbraw/zinc/19/39/10/267193910.db2.gz JJHQVHNDQCQBNK-NEPJUHHUSA-N 0 3 254.280 2.225 20 30 CEEDHN CC[C@@H](N[C@@H]1CCCN(C)C1=O)c1ccc(C#N)cc1 ZINC000447587727 267196790 /nfs/dbraw/zinc/19/67/90/267196790.db2.gz RZUGIHSGFGFHFI-HUUCEWRRSA-N 0 3 271.364 2.220 20 30 CEEDHN C=CC[C@H](C)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000117025833 267199877 /nfs/dbraw/zinc/19/98/77/267199877.db2.gz UMOZENBOOYOXQG-HOCLYGCPSA-N 0 3 289.423 2.423 20 30 CEEDHN C[C@H]1[C@@H](C)N(CC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000399689094 267249492 /nfs/dbraw/zinc/24/94/92/267249492.db2.gz UGWZTHHHZDHXTO-JHJVBQTASA-N 0 3 271.364 2.473 20 30 CEEDHN CN(C(=O)/C=C/c1ccc(C#N)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000491684282 267269406 /nfs/dbraw/zinc/26/94/06/267269406.db2.gz DHHYNAZVXPXZGH-RCMYXZNBSA-N 0 3 295.386 2.267 20 30 CEEDHN CN(C(=O)/C=C\c1ccc(C#N)cc1)[C@H]1CCCN(C)C1 ZINC000491906046 267269980 /nfs/dbraw/zinc/26/99/80/267269980.db2.gz PYOOMDJKCMBVIV-YDZSZYSISA-N 0 3 283.375 2.124 20 30 CEEDHN CN(C)CC1(NC(=O)/C=C/c2ccc(C#N)cc2)CCC1 ZINC000492587879 267278672 /nfs/dbraw/zinc/27/86/72/267278672.db2.gz BZIVKHVYRRDBSP-CMDGGOBGSA-N 0 3 283.375 2.172 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000294345017 267306574 /nfs/dbraw/zinc/30/65/74/267306574.db2.gz YCKSTRXFWQKMGZ-GOSISDBHSA-N 0 3 297.402 2.425 20 30 CEEDHN CC(C)(O)CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000370295878 267307568 /nfs/dbraw/zinc/30/75/68/267307568.db2.gz XTPADNLHRGWWRC-UHFFFAOYSA-N 0 3 273.380 2.100 20 30 CEEDHN C=CCCCCNC(=O)N1CCCN(C2CC2)CC1 ZINC000370373799 267313787 /nfs/dbraw/zinc/31/37/87/267313787.db2.gz HPKGDLYQOUCJDB-UHFFFAOYSA-N 0 3 265.401 2.222 20 30 CEEDHN CN1CC[C@@H]2[C@@H](CCCN2c2ncc3c(c2C#N)CCC3)C1 ZINC000425242915 267339857 /nfs/dbraw/zinc/33/98/57/267339857.db2.gz SHOARUYIULWYTB-WMLDXEAASA-N 0 3 296.418 2.362 20 30 CEEDHN CN1C[C@@H]2CCCN(C(=O)/C=C\c3ccc(C#N)cc3)[C@@H]2C1 ZINC000493141423 267342142 /nfs/dbraw/zinc/34/21/42/267342142.db2.gz QTIZEIXYHLQTBN-LZDOZHLXSA-N 0 3 295.386 2.124 20 30 CEEDHN C[C@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)CC(F)(F)F ZINC000419341886 267824703 /nfs/dbraw/zinc/82/47/03/267824703.db2.gz ZSHUGDFZKRRREW-CABZTGNLSA-N 0 3 299.296 2.263 20 30 CEEDHN Cc1cc(Cl)cc(C#N)c1OC[C@@H](O)CN(C)C1CC1 ZINC000421815442 268002530 /nfs/dbraw/zinc/00/25/30/268002530.db2.gz USXCCHPXXQCOGJ-AWEZNQCLSA-N 0 3 294.782 2.354 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@@H]1CCCN1CCc1ccccc1 ZINC000376921344 268030845 /nfs/dbraw/zinc/03/08/45/268030845.db2.gz DFTGIEKYSTZEEA-RDJZCZTQSA-N 0 3 299.418 2.014 20 30 CEEDHN Cc1ccnc(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1C#N ZINC000488741542 268063913 /nfs/dbraw/zinc/06/39/13/268063913.db2.gz ZKCUXVKNGTUECT-XNRPHZJLSA-N 0 3 284.407 2.428 20 30 CEEDHN N#Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCCCC2)cn1 ZINC000529720100 268199280 /nfs/dbraw/zinc/19/92/80/268199280.db2.gz PLPVBARGCWZCBN-INIZCTEOSA-N 0 3 298.390 2.090 20 30 CEEDHN N#Cc1ccc(N2CCN(CC3CCCCC3)CC2)nc1N ZINC000515499549 268234361 /nfs/dbraw/zinc/23/43/61/268234361.db2.gz PKJQRXJLQXKVPL-UHFFFAOYSA-N 0 3 299.422 2.238 20 30 CEEDHN CC(C)CN1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428465732 271270873 /nfs/dbraw/zinc/27/08/73/271270873.db2.gz VLROICNHMOFQRR-UHFFFAOYSA-N 0 3 275.371 2.471 20 30 CEEDHN COc1ccc2c(c1)OC[C@H](N[C@@H]1CC[C@@H](C#N)C1)C2 ZINC000333566188 274130951 /nfs/dbraw/zinc/13/09/51/274130951.db2.gz SKBXWJIYYJTIRC-MRVWCRGKSA-N 0 3 272.348 2.281 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000367282189 274922866 /nfs/dbraw/zinc/92/28/66/274922866.db2.gz HQMSRHDVORHJPZ-WBVHZDCISA-N 0 3 280.327 2.142 20 30 CEEDHN CCN1C[C@@H](C)N(CC#Cc2ccccc2)[C@@H](C)C1 ZINC000347693992 276241294 /nfs/dbraw/zinc/24/12/94/276241294.db2.gz SBEGBDLLXPQIDZ-IYBDPMFKSA-N 0 3 256.393 2.453 20 30 CEEDHN CN1CCC(Nc2ncc(C#N)cc2Cl)CC1 ZINC000265124897 277031774 /nfs/dbraw/zinc/03/17/74/277031774.db2.gz LAKRPJWFNPSUNE-UHFFFAOYSA-N 0 3 250.733 2.113 20 30 CEEDHN CC(C)(C#N)CCN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352674525 277121053 /nfs/dbraw/zinc/12/10/53/277121053.db2.gz BSTMSOYYKMZPTK-MNOVXSKESA-N 0 3 278.318 2.419 20 30 CEEDHN CN1CC[C@@H](Nc2ccc(C#N)nn2)[C@H]1c1ccccc1 ZINC000301914588 277138665 /nfs/dbraw/zinc/13/86/65/277138665.db2.gz DAPUWNRHWOZOIX-GDBMZVCRSA-N 0 3 279.347 2.206 20 30 CEEDHN CC(C)(C)[C@H](NCC(=O)NCC#N)c1ccc(F)cc1 ZINC000066496485 277252955 /nfs/dbraw/zinc/25/29/55/277252955.db2.gz DVPPTPCQXUQDIW-CQSZACIVSA-N 0 3 277.343 2.142 20 30 CEEDHN C#CCCN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000276942955 277674308 /nfs/dbraw/zinc/67/43/08/277674308.db2.gz NQYHNXRDHAFZLR-UKRRQHHQSA-N 0 3 276.767 2.225 20 30 CEEDHN C[C@H](CC[S@](C)=O)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353261965 278175623 /nfs/dbraw/zinc/17/56/23/278175623.db2.gz DFPDSGICCOUONF-KOXAJKMWSA-N 0 3 276.405 2.292 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281332985 278306063 /nfs/dbraw/zinc/30/60/63/278306063.db2.gz LYOHWZSCMLBPPV-DFBGVHRSSA-N 0 3 285.347 2.050 20 30 CEEDHN C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1ccc(CC#N)cc1 ZINC000351992456 279118316 /nfs/dbraw/zinc/11/83/16/279118316.db2.gz DFTYDDHWPKHFTA-CRAIPNDOSA-N 0 3 299.418 2.048 20 30 CEEDHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000329673873 279295782 /nfs/dbraw/zinc/29/57/82/279295782.db2.gz SZGPZDWRPMSCOZ-BFHYXJOUSA-N 0 3 278.400 2.009 20 30 CEEDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ncccc1C#N ZINC000286250296 279998006 /nfs/dbraw/zinc/99/80/06/279998006.db2.gz FYUJLTGEUMDADF-JSGCOSHPSA-N 0 3 256.353 2.016 20 30 CEEDHN C[C@@H]1C[C@H](NCc2cc(C#N)cs2)CN1C1CC1 ZINC000151104046 280088655 /nfs/dbraw/zinc/08/86/55/280088655.db2.gz XNFZHIZHFAZVEL-PWSUYJOCSA-N 0 3 261.394 2.335 20 30 CEEDHN CC[C@@H]1CC[C@H](C)N1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000331630106 280335694 /nfs/dbraw/zinc/33/56/94/280335694.db2.gz HWOYEVBGYJWNLW-LNSITVRQSA-N 0 3 263.385 2.058 20 30 CEEDHN CCN(CC(C)C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000153764079 289122205 /nfs/dbraw/zinc/12/22/05/289122205.db2.gz WNTKLLUFZCJXOA-CQSZACIVSA-N 0 3 259.353 2.063 20 30 CEEDHN CN(C(=O)c1ccc(C#N)c(Cl)c1)C1CCN(C)CC1 ZINC000154810072 289155204 /nfs/dbraw/zinc/15/52/04/289155204.db2.gz YNLWVSUKXRUVLJ-UHFFFAOYSA-N 0 3 291.782 2.378 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(OCCO)CC1 ZINC000339778853 290219351 /nfs/dbraw/zinc/21/93/51/290219351.db2.gz QMFOFHQIUUSOLX-CYBMUJFWSA-N 0 3 274.364 2.093 20 30 CEEDHN COC[C@@H](CCO)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360647849 292808697 /nfs/dbraw/zinc/80/86/97/292808697.db2.gz OCFADNUSBWLAAS-WBVHZDCISA-N 0 3 288.391 2.313 20 30 CEEDHN CN(C)[C@@H](CNc1ccncc1C#N)c1cccc(F)c1 ZINC000545240237 298332086 /nfs/dbraw/zinc/33/20/86/298332086.db2.gz FHQOCGLQMYFFNX-INIZCTEOSA-N 0 3 284.338 2.229 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(N2CN=NC2=O)CC1 ZINC000562450751 298688910 /nfs/dbraw/zinc/68/89/10/298688910.db2.gz FVVXWKWDNMPYJI-LBPRGKRZSA-N 0 3 297.362 2.253 20 30 CEEDHN Cc1c([C@@H]2OCC[C@@H]2NCCC(C)(C)C#N)cnn1C ZINC000347217648 300998214 /nfs/dbraw/zinc/99/82/14/300998214.db2.gz AJKOJMGVOMVXNG-KBPBESRZSA-N 0 3 276.384 2.088 20 30 CEEDHN CC(C)(C)C[C@@H](O)CNCc1cnc2ccc(C#N)cn12 ZINC000172340295 312675435 /nfs/dbraw/zinc/67/54/35/312675435.db2.gz UZEAQSSWLMQNSZ-CQSZACIVSA-N 0 3 286.379 2.093 20 30 CEEDHN C=CCC[C@H](CO)NCc1cnn(C(C)(C)C)c1 ZINC000320792224 327773231 /nfs/dbraw/zinc/77/32/31/327773231.db2.gz TZYAHHQBDJSXFU-CYBMUJFWSA-N 0 3 251.374 2.055 20 30 CEEDHN COC[C@@H](C)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000189501943 327779628 /nfs/dbraw/zinc/77/96/28/327779628.db2.gz JIQPEGXZJZSKJX-DOTOQJQBSA-N 0 3 287.407 2.151 20 30 CEEDHN N#Cc1ccsc1NC(=O)CNC1(C2CC2)CC1 ZINC000544415733 313469210 /nfs/dbraw/zinc/46/92/10/313469210.db2.gz OVEPCCPDYNIBMF-UHFFFAOYSA-N 0 3 261.350 2.090 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000575979626 314228888 /nfs/dbraw/zinc/22/88/88/314228888.db2.gz FBBQOHAPCVBPBM-ZDUSSCGKSA-N 0 3 291.782 2.378 20 30 CEEDHN Cc1nnc(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c(C#N)c1C ZINC000577009627 314332678 /nfs/dbraw/zinc/33/26/78/314332678.db2.gz QIPMIENRHPFGKR-XHBSWPGZSA-N 0 3 299.422 2.132 20 30 CEEDHN C=CCC[C@H](CO)NCc1cccc(OC)c1OC ZINC000320203308 328003236 /nfs/dbraw/zinc/00/32/36/328003236.db2.gz DBMSDIJANBVNOO-CYBMUJFWSA-N 0 3 265.353 2.121 20 30 CEEDHN C=CCN1CCC(NC(=O)NC(C)(C)C2CC2)CC1 ZINC000534292225 328044736 /nfs/dbraw/zinc/04/47/36/328044736.db2.gz LPLNZIFQMZAMIU-UHFFFAOYSA-N 0 3 265.401 2.125 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000571101019 328085407 /nfs/dbraw/zinc/08/54/07/328085407.db2.gz QGWRMWGQYHBBDC-LLVKDONJSA-N 0 3 299.378 2.471 20 30 CEEDHN CC[C@H](C(=O)N[C@H](C#N)c1ccccc1Cl)N(C)C ZINC000413462575 328146373 /nfs/dbraw/zinc/14/63/73/328146373.db2.gz XJRHSJOHXDRARY-CHWSQXEVSA-N 0 3 279.771 2.361 20 30 CEEDHN C=CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000582613889 329117510 /nfs/dbraw/zinc/11/75/10/329117510.db2.gz IDFWBCGMKBBGOI-UHFFFAOYSA-N 0 3 250.386 2.143 20 30 CEEDHN N#CCSCCCN1CCC[C@H](c2cc[nH]n2)C1 ZINC000173869957 329153007 /nfs/dbraw/zinc/15/30/07/329153007.db2.gz RASMVPFYWXWBGS-LBPRGKRZSA-N 0 3 264.398 2.236 20 30 CEEDHN Cc1cc2ncc([C@@H](C)NCCCC#N)c(C)n2n1 ZINC000273175089 328204429 /nfs/dbraw/zinc/20/44/29/328204429.db2.gz CSTSOMLPVCARJR-LLVKDONJSA-N 0 3 257.341 2.301 20 30 CEEDHN CCCCCCCCN1CCN2C(=O)NC[C@H]2C1 ZINC000175898772 329170894 /nfs/dbraw/zinc/17/08/94/329170894.db2.gz GHPMPJMTITUNAW-ZDUSSCGKSA-N 0 3 253.390 2.056 20 30 CEEDHN CSC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280028861 328234501 /nfs/dbraw/zinc/23/45/01/328234501.db2.gz MYPQSMHXDNUVCU-AWEZNQCLSA-N 0 3 299.399 2.252 20 30 CEEDHN CCN(Cc1ccc(OCC#N)cc1)C[C@H](C)OC ZINC000291323088 328263031 /nfs/dbraw/zinc/26/30/31/328263031.db2.gz UZBJEQDOZNZCBJ-ZDUSSCGKSA-N 0 3 262.353 2.446 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCCC#N ZINC000291866523 328267078 /nfs/dbraw/zinc/26/70/78/328267078.db2.gz HSTGDLBSGBTEQP-HOCLYGCPSA-N 0 3 285.391 2.317 20 30 CEEDHN CCOC(=O)c1cnn(C2CCN(CCCC#N)CC2)c1 ZINC000295739708 328286928 /nfs/dbraw/zinc/28/69/28/328286928.db2.gz WMQVUUKMEHIJIX-UHFFFAOYSA-N 0 3 290.367 2.000 20 30 CEEDHN CC(C)CN1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000298410915 328296280 /nfs/dbraw/zinc/29/62/80/328296280.db2.gz MSNQXVLOSHHLSW-UHFFFAOYSA-N 0 3 287.407 2.363 20 30 CEEDHN CSC[C@H](O)CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000582058356 322443334 /nfs/dbraw/zinc/44/33/34/322443334.db2.gz XUJYYFZDRCVHEY-UKRRQHHQSA-N 0 3 276.405 2.249 20 30 CEEDHN COc1ccccc1[C@@H](NC(=O)C(C)C#N)c1ccccn1 ZINC000340743549 328398631 /nfs/dbraw/zinc/39/86/31/328398631.db2.gz VBUBVFFJCGAHLX-MLGOLLRUSA-N 0 3 295.342 2.455 20 30 CEEDHN C#Cc1ccc(CN2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)cc1 ZINC000289988044 328528166 /nfs/dbraw/zinc/52/81/66/328528166.db2.gz KEKYQOFGQPENNX-ROUUACIJSA-N 0 3 299.414 2.420 20 30 CEEDHN C[C@@H]1CCC[C@](C#N)(NC(=O)CC2CCN(C)CC2)C1 ZINC000334151481 326891451 /nfs/dbraw/zinc/89/14/51/326891451.db2.gz KULWHJGYWZCPKG-CJNGLKHVSA-N 0 3 277.412 2.307 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(F)ccc1Cl ZINC000294013343 327195021 /nfs/dbraw/zinc/19/50/21/327195021.db2.gz PVUPLSHKKWHNHD-UHFFFAOYSA-N 0 3 282.746 2.164 20 30 CEEDHN CC[C@H](NCc1ccc(C(N)=O)nc1)c1ccc(C#N)cc1 ZINC000584271743 327205616 /nfs/dbraw/zinc/20/56/16/327205616.db2.gz RDAXATAVKACQRR-HNNXBMFYSA-N 0 3 294.358 2.293 20 30 CEEDHN C=CCCOCCNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000533859477 327225877 /nfs/dbraw/zinc/22/58/77/327225877.db2.gz DGUUJYZNUIAQCK-UHFFFAOYSA-N 0 3 297.443 2.095 20 30 CEEDHN CC1(C)CC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000584299471 327229566 /nfs/dbraw/zinc/22/95/66/327229566.db2.gz LOVOTVAYWGJQHI-SNVBAGLBSA-N 0 3 263.366 2.336 20 30 CEEDHN COCC[C@]1(NCc2ccc(CC#N)cc2)CCOC1 ZINC000579341014 327361580 /nfs/dbraw/zinc/36/15/80/327361580.db2.gz AARHYRGCFNRKFG-INIZCTEOSA-N 0 3 274.364 2.038 20 30 CEEDHN CC#CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000358478581 328885968 /nfs/dbraw/zinc/88/59/68/328885968.db2.gz LPDRRWNEBGQCRO-ZDUSSCGKSA-N 0 3 291.420 2.208 20 30 CEEDHN C=CCOCC(=O)Nc1cc(CN(C)C)ccc1C ZINC000361221992 328915614 /nfs/dbraw/zinc/91/56/14/328915614.db2.gz WSHMZOFJFIUWRD-UHFFFAOYSA-N 0 3 262.353 2.198 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CC(=O)N(c3ccccc3F)C2)C1 ZINC000582275205 328945461 /nfs/dbraw/zinc/94/54/61/328945461.db2.gz FBMNIQICZFGUMM-JHJVBQTASA-N 0 3 287.338 2.213 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000375127375 329001175 /nfs/dbraw/zinc/00/11/75/329001175.db2.gz RPPHJAVMIWFLHG-BFHYXJOUSA-N 0 3 250.386 2.141 20 30 CEEDHN C#C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000300849733 332836223 /nfs/dbraw/zinc/83/62/23/332836223.db2.gz FDABMSRGIHNGLM-CHWSQXEVSA-N 0 3 266.385 2.243 20 30 CEEDHN N#CCCCN1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000377600575 329019835 /nfs/dbraw/zinc/01/98/35/329019835.db2.gz HZFMTFNYFRWDJF-MRXNPFEDSA-N 0 3 276.355 2.356 20 30 CEEDHN C#CCN[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000377674700 329024038 /nfs/dbraw/zinc/02/40/38/329024038.db2.gz NXUAHHINIIJPTB-ZIAGYGMSSA-N 0 3 266.747 2.447 20 30 CEEDHN C#CC[C@@H](C)NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000377901021 329034238 /nfs/dbraw/zinc/03/42/38/329034238.db2.gz AWVCLEIXQZWUEP-NVXWUHKLSA-N 0 3 299.418 2.314 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(C)nc2C)CC1 ZINC000171727883 329079411 /nfs/dbraw/zinc/07/94/11/329079411.db2.gz RCDFVDWYAXTHCY-UHFFFAOYSA-N 0 3 273.380 2.079 20 30 CEEDHN CCN(C[C@@H]1CCCN1CC)C(=O)[C@](C)(C#N)CC ZINC000582625011 329119321 /nfs/dbraw/zinc/11/93/21/329119321.db2.gz CKSKPMFEUKHLAU-ZFWWWQNUSA-N 0 3 265.401 2.259 20 30 CEEDHN C[C@@H](C#N)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000174322842 329157325 /nfs/dbraw/zinc/15/73/25/329157325.db2.gz QLTRCJQVTGBVIU-JTQLQIEISA-N 0 3 271.320 2.136 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc(Cl)n2)CC1 ZINC000177495933 329183759 /nfs/dbraw/zinc/18/37/59/329183759.db2.gz VIIMDVOMSGBXLC-UHFFFAOYSA-N 0 3 277.755 2.019 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000181096341 329225958 /nfs/dbraw/zinc/22/59/58/329225958.db2.gz SCMQGULFBIZYJT-KGLIPLIRSA-N 0 3 267.417 2.324 20 30 CEEDHN C[C@@H](CN1CCN(C(=O)CC#N)CC1)C1CCCCC1 ZINC000582853866 329280363 /nfs/dbraw/zinc/28/03/63/329280363.db2.gz NBDVRBMLLDKVPR-AWEZNQCLSA-N 0 3 277.412 2.261 20 30 CEEDHN C=CCCCCN1CCSC[C@@H]1CC(=O)OC ZINC000583185033 329349253 /nfs/dbraw/zinc/34/92/53/329349253.db2.gz XGQULESBQZQKIX-LBPRGKRZSA-N 0 3 257.399 2.323 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418627314 329537624 /nfs/dbraw/zinc/53/76/24/329537624.db2.gz ASMHHCLAAUNVHF-INIZCTEOSA-N 0 3 285.391 2.257 20 30 CEEDHN C=CCC[C@H](O)CN1CCC(OC)(C(F)(F)F)CC1 ZINC000419356876 329719892 /nfs/dbraw/zinc/71/98/92/329719892.db2.gz TURQYWKYVAXAJL-NSHDSACASA-N 0 3 281.318 2.357 20 30 CEEDHN CN(C)C(=NCC1(C#N)CCC1)NCc1ccccc1 ZINC000263140212 330045368 /nfs/dbraw/zinc/04/53/68/330045368.db2.gz OEKPDCGKRWESEU-UHFFFAOYSA-N 0 3 270.380 2.388 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@]2(C)CC2(F)F)CC1 ZINC000421770263 330077388 /nfs/dbraw/zinc/07/73/88/330077388.db2.gz UIELRUJYRGIWFU-CYBMUJFWSA-N 0 3 272.339 2.188 20 30 CEEDHN C#CCCCCNCc1c(C)nc2sc(C)nn12 ZINC000271177467 330078013 /nfs/dbraw/zinc/07/80/13/330078013.db2.gz DDTQDBKFTKGEQY-UHFFFAOYSA-N 0 3 262.382 2.301 20 30 CEEDHN C#CCOc1ccccc1CN(C)CCCn1ccnc1 ZINC000271906357 330082788 /nfs/dbraw/zinc/08/27/88/330082788.db2.gz HSDZAJAJBRRZOE-UHFFFAOYSA-N 0 3 283.375 2.417 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@H](O)CCOCC ZINC000278802423 330120635 /nfs/dbraw/zinc/12/06/35/330120635.db2.gz ORLDMTODORXDJE-CQSZACIVSA-N 0 3 267.369 2.098 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2)OCC ZINC000580447564 330140254 /nfs/dbraw/zinc/14/02/54/330140254.db2.gz LETHNXQKLVEKFQ-ZNMIVQPWSA-N 0 3 280.412 2.053 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NC1(c2ccccc2)CCC1 ZINC000424058684 330218647 /nfs/dbraw/zinc/21/86/47/330218647.db2.gz DVZOMUAOJGZFNO-AWEZNQCLSA-N 0 3 271.364 2.203 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000424063944 330219178 /nfs/dbraw/zinc/21/91/78/330219178.db2.gz NFJDLZGCAJLPAU-LBPRGKRZSA-N 0 3 299.296 2.343 20 30 CEEDHN CN(Cc1ccc(Cl)s1)C(=O)[C@H](N)CCCC#N ZINC000424067955 330219471 /nfs/dbraw/zinc/21/94/71/330219471.db2.gz QQSVETDNWVRQER-SNVBAGLBSA-N 0 3 285.800 2.381 20 30 CEEDHN C[C@H](CCc1ccccc1)NC(=O)[C@H](N)CCCC#N ZINC000424073708 330220593 /nfs/dbraw/zinc/22/05/93/330220593.db2.gz FYZPAGMPWWYJFE-UKRRQHHQSA-N 0 3 273.380 2.145 20 30 CEEDHN CC(C)N(C(=O)[C@H](N)CCCC#N)C1CCCC1 ZINC000424089588 330224560 /nfs/dbraw/zinc/22/45/60/330224560.db2.gz LFMMXRFNWBEBAV-CYBMUJFWSA-N 0 3 251.374 2.187 20 30 CEEDHN CCS[C@H]1CC[C@@H](N(C)CC(=O)NC2(C#N)CCC2)C1 ZINC000527135532 330225697 /nfs/dbraw/zinc/22/56/97/330225697.db2.gz IVLXCVQXGMSECL-OLZOCXBDSA-N 0 3 295.452 2.155 20 30 CEEDHN CN(CCCCc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000424092542 330225941 /nfs/dbraw/zinc/22/59/41/330225941.db2.gz HQNUOOVTLHEBDV-INIZCTEOSA-N 0 3 287.407 2.489 20 30 CEEDHN CCOc1cc(F)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000424102002 330233366 /nfs/dbraw/zinc/23/33/66/330233366.db2.gz QDIHBBJWLCGAMN-NSHDSACASA-N 0 3 279.315 2.184 20 30 CEEDHN CCS[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424117645 330243864 /nfs/dbraw/zinc/24/38/64/330243864.db2.gz BPEDBBDONLKGDG-RWMBFGLXSA-N 0 3 283.441 2.188 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000424122080 330253902 /nfs/dbraw/zinc/25/39/02/330253902.db2.gz IWMUPJNSWRJAEW-HOTGVXAUSA-N 0 3 285.391 2.145 20 30 CEEDHN CC(C)C[C@H]1CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424125189 330258480 /nfs/dbraw/zinc/25/84/80/330258480.db2.gz NMPPOXKTJQNZHR-ZIAGYGMSSA-N 0 3 265.401 2.292 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCCCc1c[nH]c2ccccc12 ZINC000424140261 330280214 /nfs/dbraw/zinc/28/02/14/330280214.db2.gz NWPKVLFBDOQWFV-HNNXBMFYSA-N 0 3 298.390 2.238 20 30 CEEDHN Cc1cccnc1[C@H](NC(=O)[C@H](N)CCCC#N)C(C)C ZINC000424150936 330297055 /nfs/dbraw/zinc/29/70/55/330297055.db2.gz ZYOBKYCZDVUWOY-ZIAGYGMSSA-N 0 3 288.395 2.225 20 30 CEEDHN C[C@]1(CNC(=O)[C@H](N)CCCC#N)CCCc2ccccc21 ZINC000424169599 330312110 /nfs/dbraw/zinc/31/21/10/330312110.db2.gz IMRXASFRJKESBP-SJLPKXTDSA-N 0 3 299.418 2.418 20 30 CEEDHN Cn1cc(CN[C@@H]2CC[C@H](C#N)C2)c(C(C)(C)C)n1 ZINC000424191199 330323237 /nfs/dbraw/zinc/32/32/37/330323237.db2.gz HAPDMZSTJZYSMG-WCQYABFASA-N 0 3 260.385 2.499 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000424212490 330328651 /nfs/dbraw/zinc/32/86/51/330328651.db2.gz PJZZSTAGYCUPPI-QCEMKRCNSA-N 0 3 288.391 2.030 20 30 CEEDHN N#CCCC1CCN(C(=O)C[C@@H](N)Cc2ccccc2)CC1 ZINC000515303112 330474766 /nfs/dbraw/zinc/47/47/66/330474766.db2.gz URBCBUZFGMCKPJ-KRWDZBQOSA-N 0 3 299.418 2.489 20 30 CEEDHN COc1ccc([C@@H](CCn2cncn2)NCCCC#N)cc1 ZINC000446886338 330857102 /nfs/dbraw/zinc/85/71/02/330857102.db2.gz YRTDDSBFZPSPKI-MRXNPFEDSA-N 0 3 299.378 2.311 20 30 CEEDHN C=CCCCC[C@@H](C)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000449154879 330902157 /nfs/dbraw/zinc/90/21/57/330902157.db2.gz JSJXUFHERRXLSU-UKRRQHHQSA-N 0 3 290.411 2.250 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccc([N+](=O)[O-])cc1C ZINC000449695203 330944279 /nfs/dbraw/zinc/94/42/79/330944279.db2.gz DLRGJZAXWMPIMW-CYBMUJFWSA-N 0 3 264.325 2.320 20 30 CEEDHN CN(C)C1(CN(C)C(=O)[C@@]2(C#N)CC23CCCC3)CCC1 ZINC000451002837 331011374 /nfs/dbraw/zinc/01/13/74/331011374.db2.gz DLYBNXSKHOTOOO-KRWDZBQOSA-N 0 3 289.423 2.403 20 30 CEEDHN CC[C@@H]1[C@H](CO)CCN1CC#Cc1ccc(F)cc1 ZINC000451251299 331021954 /nfs/dbraw/zinc/02/19/54/331021954.db2.gz FTDLRSQECMOBMT-GOEBONIOSA-N 0 3 261.340 2.270 20 30 CEEDHN C=C(C)CCN1C[C@@H](C(=O)OC)N(CCC(=C)C)C[C@H]1C ZINC000451711488 331039884 /nfs/dbraw/zinc/03/98/84/331039884.db2.gz DIODLGIAWKCSAP-CVEARBPZSA-N 0 3 294.439 2.467 20 30 CEEDHN CC[C@@H](C)N1CCN(CCCSCC#N)CC1 ZINC000451846768 331044654 /nfs/dbraw/zinc/04/46/54/331044654.db2.gz ROXGXRYAFGVZDS-CYBMUJFWSA-N 0 3 255.431 2.049 20 30 CEEDHN C=C(C)CN1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000451993017 331049616 /nfs/dbraw/zinc/04/96/16/331049616.db2.gz ISUQUZAXESQMCL-CABCVRRESA-N 0 3 259.349 2.451 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CCC[C@H]1OCC ZINC000452018215 331050717 /nfs/dbraw/zinc/05/07/17/331050717.db2.gz LMCNLUNWQMDYSD-RBSFLKMASA-N 0 3 282.428 2.347 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](COC)CC1 ZINC000452087190 331053649 /nfs/dbraw/zinc/05/36/49/331053649.db2.gz NQCBJSANQDBOLX-OAHLLOKOSA-N 0 3 282.428 2.160 20 30 CEEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(C(=O)OC)co1 ZINC000453360620 331122259 /nfs/dbraw/zinc/12/22/59/331122259.db2.gz PIDIIOPGGHEUQY-PWSUYJOCSA-N 0 3 267.325 2.044 20 30 CEEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)C(=O)NCCc1ccccc1 ZINC000453421917 331130762 /nfs/dbraw/zinc/13/07/62/331130762.db2.gz ZNEPZBQQHWNDKN-PVAVHDDUSA-N 0 3 299.418 2.406 20 30 CEEDHN COc1cc(F)cc(C[C@@H](C)NC(=O)C(C)C#N)c1 ZINC000457042890 331210721 /nfs/dbraw/zinc/21/07/21/331210721.db2.gz AAOJNACAXHRDAO-NXEZZACHSA-N 0 3 264.300 2.041 20 30 CEEDHN C[C@H](CNC(=O)NCC(C)(C)CC#N)N1CCC[C@H](C)C1 ZINC000457681871 331231083 /nfs/dbraw/zinc/23/10/83/331231083.db2.gz CWUGUZSABOUCAH-UONOGXRCSA-N 0 3 294.443 2.346 20 30 CEEDHN CC#CCN(C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000457925212 331237701 /nfs/dbraw/zinc/23/77/01/331237701.db2.gz JUSAGJTZDZFKGK-WBVHZDCISA-N 0 3 299.418 2.487 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2C(C)C)CC1 ZINC000458316699 331248253 /nfs/dbraw/zinc/24/82/53/331248253.db2.gz HJUFKIBPKCFSRQ-LSDHHAIUSA-N 0 3 279.428 2.371 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)NC(C)(C)CN(C)C ZINC000458620025 331254485 /nfs/dbraw/zinc/25/44/85/331254485.db2.gz NEQONXAMKPDBHG-LBPRGKRZSA-N 0 3 255.406 2.371 20 30 CEEDHN C=C(CC)CNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000459099477 331270245 /nfs/dbraw/zinc/27/02/45/331270245.db2.gz RBWGXEFNKFALNT-CQSZACIVSA-N 0 3 279.428 2.468 20 30 CEEDHN CC#CCN1CCN(c2ccnc3ccccc32)CC1 ZINC000459477225 331283761 /nfs/dbraw/zinc/28/37/61/331283761.db2.gz GWZUAUREFRYUKZ-UHFFFAOYSA-N 0 3 265.360 2.380 20 30 CEEDHN CCO[C@@H]1C[C@H](NCC2(CC#N)CC2)[C@H]1SC ZINC000459522812 331285952 /nfs/dbraw/zinc/28/59/52/331285952.db2.gz XUFUDZUYPRRVDY-QJPTWQEYSA-N 0 3 254.399 2.179 20 30 CEEDHN C=CCOCCCN(Cc1cnn(C)c1)CC(C)C ZINC000459597521 331290077 /nfs/dbraw/zinc/29/00/77/331290077.db2.gz QHDNTLOPXFASQE-UHFFFAOYSA-N 0 3 265.401 2.471 20 30 CEEDHN N#CC1(CCCN2C[C@@H]3C[C@H]2CS3)CCOCC1 ZINC000459788708 331301107 /nfs/dbraw/zinc/30/11/07/331301107.db2.gz FHFVCBOYOQHKPJ-STQMWFEESA-N 0 3 266.410 2.277 20 30 CEEDHN C=C(C)COCCNCc1ccc(C(=O)OC)cc1 ZINC000164761016 331303991 /nfs/dbraw/zinc/30/39/91/331303991.db2.gz NVOPWRKQEQVKRU-UHFFFAOYSA-N 0 3 263.337 2.156 20 30 CEEDHN C=C(C)CNC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000488561736 332017630 /nfs/dbraw/zinc/01/76/30/332017630.db2.gz GVVOHRFAOOEUHY-CHWSQXEVSA-N 0 3 253.390 2.125 20 30 CEEDHN CC[C@@H](CNC(=O)C(C)C#N)Oc1ccccc1C ZINC000488624552 332020374 /nfs/dbraw/zinc/02/03/74/332020374.db2.gz SBSNILBKRGEYDH-OLZOCXBDSA-N 0 3 260.337 2.428 20 30 CEEDHN C[C@H]1[C@H](CO)CCN1CC#Cc1cccc(Cl)c1 ZINC000488761093 332024529 /nfs/dbraw/zinc/02/45/29/332024529.db2.gz NIEOXYXBKSJKQM-JSGCOSHPSA-N 0 3 263.768 2.394 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000488965365 332035941 /nfs/dbraw/zinc/03/59/41/332035941.db2.gz LQKPTVOEHHWASU-ZIAGYGMSSA-N 0 3 275.396 2.086 20 30 CEEDHN C=CCCCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000490355982 332087366 /nfs/dbraw/zinc/08/73/66/332087366.db2.gz WSSZQTAGACBEJY-CQSZACIVSA-N 0 3 279.428 2.468 20 30 CEEDHN C#C[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)C(C)C ZINC000490637806 332098833 /nfs/dbraw/zinc/09/88/33/332098833.db2.gz SVSAPQGRSZNXBA-LSDHHAIUSA-N 0 3 262.397 2.167 20 30 CEEDHN C#CCN(C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)C1CCCC1 ZINC000490818763 332117351 /nfs/dbraw/zinc/11/73/51/332117351.db2.gz AUIRFQAHVPAKFG-CJNGLKHVSA-N 0 3 289.423 2.057 20 30 CEEDHN C#C[C@H](C)N(C)Cc1ccc(OCCOCCOC)cc1 ZINC000491073465 332147122 /nfs/dbraw/zinc/14/71/22/332147122.db2.gz ZNBKMPTUQSCCLO-HNNXBMFYSA-N 0 3 291.391 2.182 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000491297692 332184656 /nfs/dbraw/zinc/18/46/56/332184656.db2.gz RSSMVRDOMRXBKL-RBSFLKMASA-N 0 3 264.413 2.130 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000491326324 332190463 /nfs/dbraw/zinc/19/04/63/332190463.db2.gz MBXKENFTALSLSE-CABCVRRESA-N 0 3 291.439 2.162 20 30 CEEDHN C#C[C@@H](NCc1cnc2nc(C)cc(C)n12)C(C)C ZINC000491556860 332238035 /nfs/dbraw/zinc/23/80/35/332238035.db2.gz ZEBJGIFVTSXKBJ-CQSZACIVSA-N 0 3 256.353 2.094 20 30 CEEDHN C#C[C@H](NCc1cnc2nc(C)cc(C)n12)C(C)(C)C ZINC000491623374 332247769 /nfs/dbraw/zinc/24/77/69/332247769.db2.gz FXLVQRPEVYRZHG-AWEZNQCLSA-N 0 3 270.380 2.484 20 30 CEEDHN C#CCNC(=O)CCN[C@H]1CCSc2c(F)cccc21 ZINC000491637232 332257997 /nfs/dbraw/zinc/25/79/97/332257997.db2.gz WVBMMKYJJOWKCJ-ZDUSSCGKSA-N 0 3 292.379 2.092 20 30 CEEDHN C#CCN(CCC(=O)Nc1ccc(F)cc1)C1CC1 ZINC000491638000 332258776 /nfs/dbraw/zinc/25/87/76/332258776.db2.gz VGVUZFGDFYGTCO-UHFFFAOYSA-N 0 3 260.312 2.252 20 30 CEEDHN C#C[C@H](C)N(C)CCCCN1C(=O)c2ccccc2C1=O ZINC000491641356 332260815 /nfs/dbraw/zinc/26/08/15/332260815.db2.gz QBLAHRPUFYTWHE-ZDUSSCGKSA-N 0 3 284.359 2.016 20 30 CEEDHN C#CCNC(=O)CCN[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000491658595 332269556 /nfs/dbraw/zinc/26/95/56/332269556.db2.gz LZKOADAMTNLTOB-YVEFUNNKSA-N 0 3 288.366 2.178 20 30 CEEDHN C#CCN(CC)C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000491664176 332273243 /nfs/dbraw/zinc/27/32/43/332273243.db2.gz QLXKRQYLJMBQSA-HNNXBMFYSA-N 0 3 262.397 2.265 20 30 CEEDHN C#C[C@H](NC(=O)[C@@H]1CCCN1CCC)c1ccc(F)cc1 ZINC000491688362 332286074 /nfs/dbraw/zinc/28/60/74/332286074.db2.gz AXLMXWGPRWJVDO-HOTGVXAUSA-N 0 3 288.366 2.491 20 30 CEEDHN C#CCN(CC)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000491695019 332290887 /nfs/dbraw/zinc/29/08/87/332290887.db2.gz BMIDFPRPKNDCPI-OAHLLOKOSA-N 0 3 258.365 2.161 20 30 CEEDHN C#C[C@@H](NC(=O)CCN(C)c1ccncc1)C(C)(C)C ZINC000491701164 332295811 /nfs/dbraw/zinc/29/58/11/332295811.db2.gz FRBJGFFPGVENPI-CQSZACIVSA-N 0 3 273.380 2.072 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000491743924 332322171 /nfs/dbraw/zinc/32/21/71/332322171.db2.gz IEPLXAPHXAXVIH-ZOBUZTSGSA-N 0 3 299.418 2.313 20 30 CEEDHN C#C[C@@H](NC[C@H](O)COc1cccc2[nH]ccc21)C(C)C ZINC000491775224 332340939 /nfs/dbraw/zinc/34/09/39/332340939.db2.gz XEOWSEVLWGAEAV-DZGCQCFKSA-N 0 3 286.375 2.155 20 30 CEEDHN CCC(CC)CN(CCC#N)C(=O)/C=C\CN(C)C ZINC000491910303 332374831 /nfs/dbraw/zinc/37/48/31/332374831.db2.gz YGGAPHNQNQFHEL-CLFYSBASSA-N 0 3 265.401 2.283 20 30 CEEDHN C=CCC[C@@H](O)CN(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000177564480 333060478 /nfs/dbraw/zinc/06/04/78/333060478.db2.gz KBNSDSTZRWERPF-ZIAGYGMSSA-N 0 3 298.427 2.255 20 30 CEEDHN C#C[C@@H](NC[C@H](O)COCc1ccccc1Cl)C(C)C ZINC000312156527 333077629 /nfs/dbraw/zinc/07/76/29/333077629.db2.gz HRCTXKLWHLLWPF-GOEBONIOSA-N 0 3 295.810 2.465 20 30 CEEDHN CC#CCCCC(=O)NC[C@@H]1CCCCN1CC ZINC000185523604 333142762 /nfs/dbraw/zinc/14/27/62/333142762.db2.gz FOBCPZVYLZOQGR-AWEZNQCLSA-N 0 3 250.386 2.171 20 30 CEEDHN C=CCNC(=O)NC(=O)CN[C@H](CCC)c1ccccc1 ZINC000193630978 333254415 /nfs/dbraw/zinc/25/44/15/333254415.db2.gz XEJXYVUBYLRSMY-CQSZACIVSA-N 0 3 289.379 2.129 20 30 CEEDHN C#CCN1CCC(C(=O)NCCC2CCCC2)CC1 ZINC000194047926 333264506 /nfs/dbraw/zinc/26/45/06/333264506.db2.gz KKDMZZMKMNIJPL-UHFFFAOYSA-N 0 3 262.397 2.028 20 30 CEEDHN N#CC(C(=O)c1cnn2ccccc12)c1ccccn1 ZINC000227291768 333279960 /nfs/dbraw/zinc/27/99/60/333279960.db2.gz BAOGKKQZKWAVHF-LLVKDONJSA-N 0 3 262.272 2.219 20 30 CEEDHN COc1cccc(C[C@H]2CCCN2C(=O)C(C)C#N)c1 ZINC000522983870 333303041 /nfs/dbraw/zinc/30/30/41/333303041.db2.gz OOGKRGSEVRVYNI-GXTWGEPZSA-N 0 3 272.348 2.388 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2[C@H](C3CC3)[C@@H]2C)CC1 ZINC000528447386 333438527 /nfs/dbraw/zinc/43/85/27/333438527.db2.gz HBURGGPOSIFUTN-VBNZEHGJSA-N 0 3 276.424 2.435 20 30 CEEDHN N#CC(C(=O)Nc1nc2c(s1)CCCC2)c1ccncn1 ZINC000546045835 334014569 /nfs/dbraw/zinc/01/45/69/334014569.db2.gz YKGFOQCGQQQGOL-SECBINFHSA-N 0 3 299.359 2.058 20 30 CEEDHN N#CC(C(=O)c1ccnc(C2CC2)c1)c1ccncn1 ZINC000546152964 334016623 /nfs/dbraw/zinc/01/66/23/334016623.db2.gz FIDNQMNXCFOPEG-GFCCVEGCSA-N 0 3 264.288 2.239 20 30 CEEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)C2(C#N)CCC2)C1 ZINC000134669498 334100048 /nfs/dbraw/zinc/10/00/48/334100048.db2.gz ZMXJPPOCHZBNHM-CYBMUJFWSA-N 0 3 277.412 2.307 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CCC1CC1 ZINC000135249099 334121682 /nfs/dbraw/zinc/12/16/82/334121682.db2.gz RFUIBZFWOVXCPR-WFASDCNBSA-N 0 3 265.401 2.161 20 30 CEEDHN CC#CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000136006166 334143508 /nfs/dbraw/zinc/14/35/08/334143508.db2.gz OLZUJNVMPUHAMP-QGZVFWFLSA-N 0 3 299.418 2.454 20 30 CEEDHN CC(C)C[C@H]1CCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000245495057 334197226 /nfs/dbraw/zinc/19/72/26/334197226.db2.gz ORPHNHDWFIOKQY-ZIAGYGMSSA-N 0 3 265.401 2.115 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](C)C[C@@H](C)C1 ZINC000246607772 334265238 /nfs/dbraw/zinc/26/52/38/334265238.db2.gz HPDIEOGAAWQYAA-RBSFLKMASA-N 0 3 279.428 2.363 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCC[C@H](C)C1 ZINC000248538715 334305558 /nfs/dbraw/zinc/30/55/58/334305558.db2.gz AGIZQHMIOJISBL-DZGCQCFKSA-N 0 3 265.401 2.163 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC(=O)Nc2cccc3c2CCNC3)C1 ZINC000564842250 334523350 /nfs/dbraw/zinc/52/33/50/334523350.db2.gz JZYSUBKPEQBRJV-WCQYABFASA-N 0 3 284.363 2.146 20 30 CEEDHN N#CCCC1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000566276286 334640239 /nfs/dbraw/zinc/64/02/39/334640239.db2.gz KKYXRQQSAXQITH-UHFFFAOYSA-N 0 3 289.423 2.403 20 30 CEEDHN C=CC(C)(C)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000566282222 334640581 /nfs/dbraw/zinc/64/05/81/334640581.db2.gz FCUFKRZRSYDOAE-LBPRGKRZSA-N 0 3 252.402 2.387 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)NCC1CCCCC1 ZINC000568720723 334837775 /nfs/dbraw/zinc/83/77/75/334837775.db2.gz PGWADOWAJJMNNA-CFVMTHIKSA-N 0 3 280.412 2.005 20 30 CEEDHN C[C@@H]1CN(C[C@H]2CCCN2CCC(C)(C)C#N)C[C@@H](C)O1 ZINC000342578570 335183374 /nfs/dbraw/zinc/18/33/74/335183374.db2.gz MXSGNKWXJXABFB-BZUAXINKSA-N 0 3 293.455 2.500 20 30 CEEDHN C=CCCCN(C)C(=O)C1CCN(C2CC2)CC1 ZINC000192577057 335279654 /nfs/dbraw/zinc/27/96/54/335279654.db2.gz USAUSZIVGOILNU-UHFFFAOYSA-N 0 3 250.386 2.285 20 30 CEEDHN C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)N(C)CCC#N ZINC000192964686 335329753 /nfs/dbraw/zinc/32/97/53/335329753.db2.gz XDVQWENWNWBEDX-CZUORRHYSA-N 0 3 285.391 2.488 20 30 CEEDHN C=CCC[C@H](CO)N[C@@H](C)c1cn2ccccc2n1 ZINC000578083273 335484087 /nfs/dbraw/zinc/48/40/87/335484087.db2.gz RZGOMKPUSLPHOX-QWHCGFSZSA-N 0 3 259.353 2.312 20 30 CEEDHN CCn1nccc1CCN1CCC(CCC#N)CC1 ZINC000581545908 336099704 /nfs/dbraw/zinc/09/97/04/336099704.db2.gz JTLOVZRQMIMAQO-UHFFFAOYSA-N 0 3 260.385 2.461 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)C(C#N)CCc2ccccc2)CO1 ZINC000581609973 336112015 /nfs/dbraw/zinc/11/20/15/336112015.db2.gz VWOIRDRTLNLMKE-BPLDGKMQSA-N 0 3 272.348 2.053 20 30 CEEDHN CC(C)CCN(C)CC(=O)NC1(C#N)CCCCC1 ZINC000052245512 519651072 /nfs/dbraw/zinc/65/10/72/519651072.db2.gz HQLLSYWIULSJET-UHFFFAOYSA-N 0 3 265.401 2.307 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCCN1C ZINC000412244124 534242299 /nfs/dbraw/zinc/24/22/99/534242299.db2.gz MAFKSSGIVPHPLK-ZFVVBOAOSA-N 0 3 297.402 2.261 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](C)c1cc(C)sc1C ZINC000049507312 518283484 /nfs/dbraw/zinc/28/34/84/518283484.db2.gz ZVEPLUQRSVCUQV-MNOVXSKESA-N 0 3 264.394 2.153 20 30 CEEDHN C#CCOc1ccc([C@H](C)N[C@H](C)C[S@](C)=O)cc1 ZINC000184293738 518329534 /nfs/dbraw/zinc/32/95/34/518329534.db2.gz PHLHGLHJVLADAL-NQCMUKECSA-N 0 3 279.405 2.116 20 30 CEEDHN C=CC[C@@H](CO)NCc1cnc(CC(C)C)s1 ZINC000184279248 519104838 /nfs/dbraw/zinc/10/48/38/519104838.db2.gz ULBAGMOFAINVRI-NSHDSACASA-N 0 3 254.399 2.368 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(OC)c(OCC)c1 ZINC000184283154 519105411 /nfs/dbraw/zinc/10/54/11/519105411.db2.gz BITAYDWXWJFUQT-ZDUSSCGKSA-N 0 3 265.353 2.121 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(Br)cc1 ZINC000184268366 519105633 /nfs/dbraw/zinc/10/56/33/519105633.db2.gz UIDMLKNTPOOIRG-LBPRGKRZSA-N 0 3 270.170 2.476 20 30 CEEDHN C=CC[C@@H](CO)NCc1cnc(N(CC)CC)s1 ZINC000184271674 519105697 /nfs/dbraw/zinc/10/56/97/519105697.db2.gz YXOXDWDFHARWNR-NSHDSACASA-N 0 3 269.414 2.016 20 30 CEEDHN CC(C)N1CC[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000049281853 519690330 /nfs/dbraw/zinc/69/03/30/519690330.db2.gz LFPZFPLQDLMXIT-LBPRGKRZSA-N 0 3 274.324 2.361 20 30 CEEDHN CCC(=O)CCN1CCCN(c2ccc(C#N)cc2)CC1 ZINC000365174267 521074542 /nfs/dbraw/zinc/07/45/42/521074542.db2.gz AOAHPIYYKQTTKO-UHFFFAOYSA-N 0 3 285.391 2.440 20 30 CEEDHN CN(C)CCSc1ccc([N+](=O)[O-])cc1C#N ZINC000150244426 521808309 /nfs/dbraw/zinc/80/83/09/521808309.db2.gz CHEMNSSOCMVZOP-UHFFFAOYSA-N 0 3 251.311 2.120 20 30 CEEDHN Cc1cnc([C@H](C)NC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)o1 ZINC000329241633 534629531 /nfs/dbraw/zinc/62/95/31/534629531.db2.gz NSPICZHIXUJOJV-SUZMYJTESA-N 0 3 292.383 2.030 20 30 CEEDHN Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)C(C)C#N ZINC000347072231 534801724 /nfs/dbraw/zinc/80/17/24/534801724.db2.gz PIPIULIWXRRHJB-SNVBAGLBSA-N 0 3 286.310 2.096 20 30 CEEDHN CC(C)(C)N1CCCN(C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000336033178 526287499 /nfs/dbraw/zinc/28/74/99/526287499.db2.gz PBEWDQULNHVMGZ-UONOGXRCSA-N 0 3 292.427 2.194 20 30 CEEDHN N#CCCCN1CCC(c2nnc3ccccn32)CC1 ZINC000067443062 526446179 /nfs/dbraw/zinc/44/61/79/526446179.db2.gz FFJBLEQHJBOXEV-UHFFFAOYSA-N 0 3 269.352 2.212 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000344475260 526542754 /nfs/dbraw/zinc/54/27/54/526542754.db2.gz MRJAHWOKNHGMFQ-BYNSBNAKSA-N 0 3 296.455 2.449 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CO)C2CCCC2)c(F)c1 ZINC000289575576 526624911 /nfs/dbraw/zinc/62/49/11/526624911.db2.gz PXZKPGHDAZTEKF-HNNXBMFYSA-N 0 3 262.328 2.338 20 30 CEEDHN CC(C)(C)[C@@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000193099618 526628064 /nfs/dbraw/zinc/62/80/64/526628064.db2.gz VCHFCKWJOFRCGN-CYBMUJFWSA-N 0 3 250.317 2.194 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CCO[C@@H]2CCN(CC)C[C@H]21 ZINC000355327471 527024810 /nfs/dbraw/zinc/02/48/10/527024810.db2.gz CRLYWSPXZYUXBS-HZPDHXFCSA-N 0 3 292.423 2.076 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000366995008 527041260 /nfs/dbraw/zinc/04/12/60/527041260.db2.gz DRVPSEKXYCXCDR-ZIAGYGMSSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(OC)c(O)c1 ZINC000353349650 527083365 /nfs/dbraw/zinc/08/33/65/527083365.db2.gz LDQIZXFVHVTZMZ-NWDGAFQWSA-N 0 3 265.353 2.236 20 30 CEEDHN C=CCCCCNC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000353354857 527147953 /nfs/dbraw/zinc/14/79/53/527147953.db2.gz QJXKAMQEFBLFAB-AWEZNQCLSA-N 0 3 267.417 2.326 20 30 CEEDHN C=CCC[C@@H](NCc1ccnc(N(C)C)n1)C1CC1 ZINC000344290015 527448884 /nfs/dbraw/zinc/44/88/84/527448884.db2.gz LUFNZWOACZZYAJ-CQSZACIVSA-N 0 3 260.385 2.377 20 30 CEEDHN CC(C)(C#N)c1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000353825251 527490709 /nfs/dbraw/zinc/49/07/09/527490709.db2.gz KSYIXSSWDIAORS-UHFFFAOYSA-N 0 3 285.391 2.313 20 30 CEEDHN CC(C)C1(C[NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)CC1 ZINC000330191683 527598575 /nfs/dbraw/zinc/59/85/75/527598575.db2.gz NGWDWCZGAPBWRB-GFCCVEGCSA-N 0 3 276.384 2.138 20 30 CEEDHN CCO[C@H](CCNC(=O)C(C)C#N)C1CCCC1 ZINC000352285934 528047176 /nfs/dbraw/zinc/04/71/76/528047176.db2.gz ODRASZQGDQESCA-DGCLKSJQSA-N 0 3 252.358 2.248 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1oc(C)nc1C ZINC000329178432 528234131 /nfs/dbraw/zinc/23/41/31/528234131.db2.gz CORNAADPPUHDKN-LBPRGKRZSA-N 0 3 265.357 2.470 20 30 CEEDHN CCCCN(C)CCNC(=O)NCC#Cc1ccccc1 ZINC000352666015 528342542 /nfs/dbraw/zinc/34/25/42/528342542.db2.gz UGCITOPTXAHKGY-UHFFFAOYSA-N 0 3 287.407 2.069 20 30 CEEDHN CCCOCc1ccccc1CNC(=O)C(C)C#N ZINC000347060480 528596659 /nfs/dbraw/zinc/59/66/59/528596659.db2.gz CLXISKQDEXUHND-LBPRGKRZSA-N 0 3 260.337 2.389 20 30 CEEDHN CCOC(=O)C[C@@H](NC(=O)C(C)C#N)c1ccc(F)cc1 ZINC000347031721 528873140 /nfs/dbraw/zinc/87/31/40/528873140.db2.gz FGIWDVXHZFTZQB-GXFFZTMASA-N 0 3 292.310 2.096 20 30 CEEDHN CC[C@H]1CCCC[C@@H]1N(C)CC(=O)NC1(C#N)CCC1 ZINC000347204086 529206016 /nfs/dbraw/zinc/20/60/16/529206016.db2.gz GWOPQDQVIUPVGM-KBPBESRZSA-N 0 3 277.412 2.449 20 30 CEEDHN CC[C@@H]1CC[C@H](C)N1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000331630107 529343707 /nfs/dbraw/zinc/34/37/07/529343707.db2.gz HWOYEVBGYJWNLW-NJZAAPMLSA-N 0 3 263.385 2.058 20 30 CEEDHN OCCCNN=C1CCCC[C@@H]1N1CCCCCC1 ZINC000749814348 575235218 /nfs/dbraw/zinc/23/52/18/575235218.db2.gz ALPXRJIQMDUQTR-HNNXBMFYSA-N 0 3 267.417 2.133 20 30 CEEDHN C#Cc1ccc(C(=O)N(CCN(C)C)C2CCCCC2)nc1 ZINC000728821445 574471203 /nfs/dbraw/zinc/47/12/03/574471203.db2.gz KIYZKDCFTRORQQ-UHFFFAOYSA-N 0 3 299.418 2.399 20 30 CEEDHN C#Cc1ccc(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)cn1 ZINC000728862037 574472705 /nfs/dbraw/zinc/47/27/05/574472705.db2.gz ZWKKHJUITIZBNU-AWEZNQCLSA-N 0 3 299.418 2.303 20 30 CEEDHN C#Cc1ccc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)cn1 ZINC000730787775 574576691 /nfs/dbraw/zinc/57/66/91/574576691.db2.gz WCQWKIDVHZNQNL-ZIAGYGMSSA-N 0 3 285.391 2.056 20 30 CEEDHN CN1CCC[C@@H](CNC(=S)Nc2ccccc2C#N)C1 ZINC000730954805 574585025 /nfs/dbraw/zinc/58/50/25/574585025.db2.gz LCZWZGRJQRJGLK-LBPRGKRZSA-N 0 3 288.420 2.186 20 30 CEEDHN N#CCOc1ccc(CN2CCC(CCO)CC2)cc1 ZINC000731212809 574591870 /nfs/dbraw/zinc/59/18/70/574591870.db2.gz LKIJEBWLEFAFQV-UHFFFAOYSA-N 0 3 274.364 2.183 20 30 CEEDHN C#CCOc1ccccc1CN1CCN(CC(C)C)CC1 ZINC000732594691 574624183 /nfs/dbraw/zinc/62/41/83/574624183.db2.gz GGPGGBLRDGAMDI-UHFFFAOYSA-N 0 3 286.419 2.472 20 30 CEEDHN C#CCOCCN[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000753759244 575340031 /nfs/dbraw/zinc/34/00/31/575340031.db2.gz AYACNTHBLHXMHV-LBPRGKRZSA-N 0 3 263.385 2.247 20 30 CEEDHN C=CCNC(=S)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000734097619 574700730 /nfs/dbraw/zinc/70/07/30/574700730.db2.gz ABRPPNCKJDOKAO-HNNXBMFYSA-N 0 3 289.448 2.301 20 30 CEEDHN CNC(=S)NN=C1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000734295139 574707051 /nfs/dbraw/zinc/70/70/51/574707051.db2.gz BGYCVHCDVKNIPP-LBPRGKRZSA-N 0 3 290.436 2.121 20 30 CEEDHN C=CC[C@H](NC(=O)CN(CC)CC)c1ccncc1 ZINC000734456275 574715439 /nfs/dbraw/zinc/71/54/39/574715439.db2.gz WBWVIZUBCDGHFC-AWEZNQCLSA-N 0 3 261.369 2.157 20 30 CEEDHN C=C(C)C[NH+]1CCC(Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000735399816 574756651 /nfs/dbraw/zinc/75/66/51/574756651.db2.gz WIDSPBUETVNNPY-UHFFFAOYSA-N 0 3 298.394 2.319 20 30 CEEDHN N#Cc1cccc(NC2CCN(C[C@H]3CCCO3)CC2)n1 ZINC000736285058 574781056 /nfs/dbraw/zinc/78/10/56/574781056.db2.gz CUNZZLDYKVJTKA-OAHLLOKOSA-N 0 3 286.379 2.009 20 30 CEEDHN C#CCSCCNCc1ccc(C(=O)NC2CC2)cc1 ZINC000740014521 574938976 /nfs/dbraw/zinc/93/89/76/574938976.db2.gz KTUQCHMMNZLJEN-UHFFFAOYSA-N 0 3 288.416 2.035 20 30 CEEDHN C#Cc1cccc(NC(=S)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000741859465 575000898 /nfs/dbraw/zinc/00/08/98/575000898.db2.gz BEXANJYAHRGVDE-INIZCTEOSA-N 0 3 297.427 2.311 20 30 CEEDHN C[C@@H]1CC(=NNC(=N)N)c2cccc(Br)c21 ZINC000743418011 575052959 /nfs/dbraw/zinc/05/29/59/575052959.db2.gz SRIZFFUCXBPSRX-ZCFIWIBFSA-N 0 3 281.157 2.143 20 30 CEEDHN C#CCCN1CCC(NC(=O)[C@@H](C)Cc2ccccc2)CC1 ZINC000743492973 575105431 /nfs/dbraw/zinc/10/54/31/575105431.db2.gz CPHLJAQQROMNOX-INIZCTEOSA-N 0 3 298.430 2.469 20 30 CEEDHN N#Cc1ccc(CN(CCCN2CCOC2=O)C2CC2)cc1 ZINC000746115619 575148658 /nfs/dbraw/zinc/14/86/58/575148658.db2.gz VFQONJXYJGZVHW-UHFFFAOYSA-N 0 3 299.374 2.365 20 30 CEEDHN CC[C@](C)(CC(=O)OC)NCc1ccc(OC)c(C#N)c1 ZINC000748247370 575181132 /nfs/dbraw/zinc/18/11/32/575181132.db2.gz USTRVAIZZUKOQZ-MRXNPFEDSA-N 0 3 290.363 2.388 20 30 CEEDHN C=CCCCC(=O)N1CCN(c2ccncc2)CC1 ZINC000748287795 575182138 /nfs/dbraw/zinc/18/21/38/575182138.db2.gz UKYDWRORYBMUCX-UHFFFAOYSA-N 0 3 259.353 2.087 20 30 CEEDHN C[C@@H](CNC(=O)Cc1cccc(C#N)c1)N1CCCCC1 ZINC000749351340 575215218 /nfs/dbraw/zinc/21/52/18/575215218.db2.gz JTTSCGSWZQZWBO-AWEZNQCLSA-N 0 3 285.391 2.091 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc3occc3[nH]2)CC1 ZINC000750865591 575277147 /nfs/dbraw/zinc/27/71/47/575277147.db2.gz YJXCRZMKSYYBFE-UHFFFAOYSA-N 0 3 273.336 2.141 20 30 CEEDHN COc1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000752155297 575306070 /nfs/dbraw/zinc/30/60/70/575306070.db2.gz OPCLONOPHHCMTA-JTQLQIEISA-N 0 3 292.298 2.457 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000752853614 575315622 /nfs/dbraw/zinc/31/56/22/575315622.db2.gz DOKJZHZAYXPLOJ-SJORKVTESA-N 0 3 275.392 2.369 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000752853613 575315642 /nfs/dbraw/zinc/31/56/42/575315642.db2.gz DOKJZHZAYXPLOJ-IRXDYDNUSA-N 0 3 275.392 2.369 20 30 CEEDHN C#C[C@H](CC)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000753076634 575318925 /nfs/dbraw/zinc/31/89/25/575318925.db2.gz HTEXFPOYBHCNKT-IAGOWNOFSA-N 0 3 299.418 2.362 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cscc2Cl)C1 ZINC000969906433 612998598 /nfs/dbraw/zinc/99/85/98/612998598.db2.gz FCFCBUPWLJMEIN-JTQLQIEISA-N 0 3 296.823 2.475 20 30 CEEDHN C=C(C)C[N@@H+](CC)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000819722422 607054820 /nfs/dbraw/zinc/05/48/20/607054820.db2.gz IWDFCKCQJYOAOH-UHFFFAOYSA-N 0 3 275.331 2.404 20 30 CEEDHN C=C(C)C[N@H+](CC)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000819722422 607054821 /nfs/dbraw/zinc/05/48/21/607054821.db2.gz IWDFCKCQJYOAOH-UHFFFAOYSA-N 0 3 275.331 2.404 20 30 CEEDHN C=C(C)C[N@@H+](CC)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000819722422 607054822 /nfs/dbraw/zinc/05/48/22/607054822.db2.gz IWDFCKCQJYOAOH-UHFFFAOYSA-N 0 3 275.331 2.404 20 30 CEEDHN C=C(C)C[N@H+](CC)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000819722422 607054823 /nfs/dbraw/zinc/05/48/23/607054823.db2.gz IWDFCKCQJYOAOH-UHFFFAOYSA-N 0 3 275.331 2.404 20 30 CEEDHN C=CCC[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823898855 608131929 /nfs/dbraw/zinc/13/19/29/608131929.db2.gz FADFOCUFFCZCNF-VIFPVBQESA-N 0 3 261.304 2.233 20 30 CEEDHN C=CCC[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823898855 608131930 /nfs/dbraw/zinc/13/19/30/608131930.db2.gz FADFOCUFFCZCNF-VIFPVBQESA-N 0 3 261.304 2.233 20 30 CEEDHN C=C(CC)C[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823878350 608307592 /nfs/dbraw/zinc/30/75/92/608307592.db2.gz WDZPESUJRIYNMT-UHFFFAOYSA-N 0 3 257.341 2.265 20 30 CEEDHN C=C(CC)C[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823878350 608307594 /nfs/dbraw/zinc/30/75/94/608307594.db2.gz WDZPESUJRIYNMT-UHFFFAOYSA-N 0 3 257.341 2.265 20 30 CEEDHN C=C(CC)C[N@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823878350 608307596 /nfs/dbraw/zinc/30/75/96/608307596.db2.gz WDZPESUJRIYNMT-UHFFFAOYSA-N 0 3 257.341 2.265 20 30 CEEDHN C=C(CC)C[N@@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823878350 608307598 /nfs/dbraw/zinc/30/75/98/608307598.db2.gz WDZPESUJRIYNMT-UHFFFAOYSA-N 0 3 257.341 2.265 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(CCC)s2)C1 ZINC000968810015 612965557 /nfs/dbraw/zinc/96/55/57/612965557.db2.gz AVZIUVOZUGSAJD-GFCCVEGCSA-N 0 3 276.405 2.138 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC000970783823 612961429 /nfs/dbraw/zinc/96/14/29/612961429.db2.gz WRPXKUHNZHLVRI-XJKSGUPXSA-N 0 3 288.366 2.143 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc(F)c(Cl)cc2F)C1 ZINC000969767201 612964914 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C#CCCN1C[C@@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC000974942415 613032033 /nfs/dbraw/zinc/03/20/33/613032033.db2.gz DRKLHBZFPALGPU-ZIAGYGMSSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CC23CCC3)CC1 ZINC000948816362 613162192 /nfs/dbraw/zinc/16/21/92/613162192.db2.gz DXSFOEUGQSBGRH-CABCVRRESA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CC=CCC2)CC1 ZINC000948180891 613162979 /nfs/dbraw/zinc/16/29/79/613162979.db2.gz GURGTXKBFMSTIJ-JKSUJKDBSA-N 0 3 274.408 2.289 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000948642549 613178545 /nfs/dbraw/zinc/17/85/45/613178545.db2.gz KFKXIYXKVQWYEQ-DFGXFYAUSA-N 0 3 288.435 2.369 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CC=CCC2)CC1 ZINC000948180888 613178640 /nfs/dbraw/zinc/17/86/40/613178640.db2.gz GURGTXKBFMSTIJ-CVEARBPZSA-N 0 3 274.408 2.289 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2coc(C)c2)CC1 ZINC000948330200 613179881 /nfs/dbraw/zinc/17/98/81/613179881.db2.gz 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C#C[C@@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccccc1 ZINC000820599404 634468822 /nfs/dbraw/zinc/46/88/22/634468822.db2.gz MOZHKUISKRRFHJ-IAGOWNOFSA-N 0 3 295.386 2.017 20 30 CEEDHN C#C[C@H](NC(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000820606361 634473968 /nfs/dbraw/zinc/47/39/68/634473968.db2.gz XATWGQTYGWJRKU-IRXDYDNUSA-N 0 3 297.402 2.239 20 30 CEEDHN C#C[C@@H](NC(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000820606359 634474001 /nfs/dbraw/zinc/47/40/01/634474001.db2.gz XATWGQTYGWJRKU-DLBZAZTESA-N 0 3 297.402 2.239 20 30 CEEDHN C#C[C@H](CCC)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000820647933 634488023 /nfs/dbraw/zinc/48/80/23/634488023.db2.gz XTIJHOGEFLBGQY-CQSZACIVSA-N 0 3 279.428 2.304 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](F)C1 ZINC001017855203 627346740 /nfs/dbraw/zinc/34/67/40/627346740.db2.gz HLVBOHBGAVWMGU-TUVASFSCSA-N 0 3 280.387 2.376 20 30 CEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc[nH]1 ZINC001025200234 627377580 /nfs/dbraw/zinc/37/75/80/627377580.db2.gz 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ZINC000093210697 628603528 /nfs/dbraw/zinc/60/35/28/628603528.db2.gz WREBJKPZNLKVOM-NEPJUHHUSA-N 0 3 267.373 2.326 20 30 CEEDHN COC(=O)C1(CNCC#Cc2ccccc2)CCCC1 ZINC000893525417 628677731 /nfs/dbraw/zinc/67/77/31/628677731.db2.gz ANGYFVGRTCZJIT-UHFFFAOYSA-N 0 3 271.360 2.361 20 30 CEEDHN Cc1cc(C#N)cc(C)c1CN1CCNC(=O)CC12CCC2 ZINC000931620770 628725472 /nfs/dbraw/zinc/72/54/72/628725472.db2.gz OWWOZNQNTKLIBE-UHFFFAOYSA-N 0 3 297.402 2.420 20 30 CEEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2ccoc2)c1 ZINC000105261461 628771865 /nfs/dbraw/zinc/77/18/65/628771865.db2.gz MPQHVDARRVFKHD-CYBMUJFWSA-N 0 3 284.271 2.249 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H](C)c2cccc(O)c2)CC1 ZINC000932140750 628975206 /nfs/dbraw/zinc/97/52/06/628975206.db2.gz HVMAFBDBOHLJTO-CYBMUJFWSA-N 0 3 288.391 2.262 20 30 CEEDHN CN1C[C@H]2CCN(c3nc(C(C)(C)C)ccc3C#N)[C@H]2C1 ZINC000893941711 629056508 /nfs/dbraw/zinc/05/65/08/629056508.db2.gz VTSRQJIEOUMGPR-KGLIPLIRSA-N 0 3 284.407 2.391 20 30 CEEDHN N#Cc1ccc(NC[C@@H]2CCCN2CCCO)c(Cl)c1 ZINC000894018725 629085382 /nfs/dbraw/zinc/08/53/82/629085382.db2.gz UGSHDRHHDIAIJH-ZDUSSCGKSA-N 0 3 293.798 2.470 20 30 CEEDHN CCCCCCCCN(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000794784166 629319098 /nfs/dbraw/zinc/31/90/98/629319098.db2.gz GXFLRGPHBBAXOE-AWEZNQCLSA-N 0 3 290.473 2.313 20 30 CEEDHN CC1=C[C@@H](C)C[C@@H](CN2CCN(C(=O)CC#N)CC2)C1 ZINC000895066902 629843061 /nfs/dbraw/zinc/84/30/61/629843061.db2.gz YXRZTGPNLVCUGI-UKRRQHHQSA-N 0 3 275.396 2.037 20 30 CEEDHN CC#CC[C@@H](CO)N[C@@H](C)c1cc2cnccc2o1 ZINC000895103243 629900289 /nfs/dbraw/zinc/90/02/89/629900289.db2.gz PUIWSSLTTGYKJY-AAEUAGOBSA-N 0 3 258.321 2.253 20 30 CEEDHN C#CCCCN(CC)CC(=O)N1CCCCCC1 ZINC000796601271 629945571 /nfs/dbraw/zinc/94/55/71/629945571.db2.gz LGRVXRXXNNDBLA-UHFFFAOYSA-N 0 3 250.386 2.124 20 30 CEEDHN C#CCSCC(=O)Nc1ccc(CN(C)C)cc1OC ZINC000909475249 629967210 /nfs/dbraw/zinc/96/72/10/629967210.db2.gz JIGYSZBBXVIRKM-UHFFFAOYSA-N 0 3 292.404 2.062 20 30 CEEDHN O=C1[C@H]([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CCCN1[O-] ZINC000895157603 629973283 /nfs/dbraw/zinc/97/32/83/629973283.db2.gz CTNZYZYOIVWPPM-AEGPPILISA-N 0 3 289.379 2.078 20 30 CEEDHN Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCCN([O-])C2=O)c1 ZINC000895160842 629978370 /nfs/dbraw/zinc/97/83/70/629978370.db2.gz PIRVUHGVAGEOAR-ZFWWWQNUSA-N 0 3 276.380 2.286 20 30 CEEDHN CC1(C)CCC[C@@H](C[NH2+][C@H]2CCCN([O-])C2=O)C1 ZINC000895161444 629980075 /nfs/dbraw/zinc/98/00/75/629980075.db2.gz GRSUKZJLQAAYLA-NEPJUHHUSA-N 0 3 254.374 2.173 20 30 CEEDHN O=C1[C@H]([NH2+]C2CC(c3cccc(F)c3)C2)CCCN1[O-] ZINC000895163821 629985794 /nfs/dbraw/zinc/98/57/94/629985794.db2.gz ZGMOKEBGBSYWFB-UXUKBGGZSA-N 0 3 278.327 2.042 20 30 CEEDHN C=CCCCC[C@H](C)N[C@@H](C)C1N=NC(=O)N1C ZINC000895171953 629997060 /nfs/dbraw/zinc/99/70/60/629997060.db2.gz NITBJJYCXDGWJJ-QWRGUYRKSA-N 0 3 252.362 2.306 20 30 CEEDHN N#Cc1ccc(CCNCc2nccn2C2CC2)cc1 ZINC000895308973 630098324 /nfs/dbraw/zinc/09/83/24/630098324.db2.gz FSUSICGDSFBVBA-UHFFFAOYSA-N 0 3 266.348 2.422 20 30 CEEDHN CC1=NO[C@@H](CNCc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000895309911 630098863 /nfs/dbraw/zinc/09/88/63/630098863.db2.gz XBTFYBNPQNMOOU-IUODEOHRSA-N 0 3 273.336 2.232 20 30 CEEDHN C#CCC1(O)CCN(Cc2cccc(OCC)c2)CC1 ZINC000895674672 630295326 /nfs/dbraw/zinc/29/53/26/630295326.db2.gz CMLCWSDTBCVZEG-UHFFFAOYSA-N 0 3 273.376 2.436 20 30 CEEDHN C#CC[C@@H](CCOC)NCc1nc(C)c(C)s1 ZINC000895669334 630298788 /nfs/dbraw/zinc/29/87/88/630298788.db2.gz ZCOKJPNCOFULCJ-LBPRGKRZSA-N 0 3 252.383 2.278 20 30 CEEDHN C=C(C)C[C@H](CO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000895714690 630311552 /nfs/dbraw/zinc/31/15/52/630311552.db2.gz HJUFJUYBYCLRAP-GFCCVEGCSA-N 0 3 285.771 2.471 20 30 CEEDHN C[C@@H]1[C@H](Nc2cc(F)c(C#N)cc2[N+](=O)[O-])CCN1C ZINC000895737220 630326812 /nfs/dbraw/zinc/32/68/12/630326812.db2.gz NIWXNEKFUTWSGY-LDYMZIIASA-N 0 3 278.287 2.110 20 30 CEEDHN C#CCOc1ccc(CN2CC[C@H](c3noc(C)n3)C2)cc1 ZINC000896241309 630509446 /nfs/dbraw/zinc/50/94/46/630509446.db2.gz XYRCMEBVCNSFQZ-HNNXBMFYSA-N 0 3 297.358 2.380 20 30 CEEDHN CO[C@]12CCC[C@@]1(NCc1cccc(C#N)c1)CCO2 ZINC000896416046 630558825 /nfs/dbraw/zinc/55/88/25/630558825.db2.gz VRJMIDQMXCXJCR-CVEARBPZSA-N 0 3 272.348 2.334 20 30 CEEDHN CCn1cc(CNC(C)(C)Cc2ccc(C#N)cc2)nn1 ZINC000896633098 630616813 /nfs/dbraw/zinc/61/68/13/630616813.db2.gz PFNPTRPPJDXVDY-UHFFFAOYSA-N 0 3 283.379 2.281 20 30 CEEDHN C#CCOc1ccccc1CN1CC[C@@H](C(=O)OCC)C1 ZINC000896963019 630846271 /nfs/dbraw/zinc/84/62/71/630846271.db2.gz MGNAIMVRNHTFGL-OAHLLOKOSA-N 0 3 287.359 2.084 20 30 CEEDHN C=CCN1CC[C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000798396092 630865212 /nfs/dbraw/zinc/86/52/12/630865212.db2.gz SYDCMFDJTIXCIN-XJKSGUPXSA-N 0 3 287.407 2.190 20 30 CEEDHN C=CC[N@@H+](C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000985276193 630969305 /nfs/dbraw/zinc/96/93/05/630969305.db2.gz GVTWXFIYWFHLHJ-UHFFFAOYSA-N 0 3 274.364 2.115 20 30 CEEDHN C=CC[N@H+](C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000985276193 630969308 /nfs/dbraw/zinc/96/93/08/630969308.db2.gz GVTWXFIYWFHLHJ-UHFFFAOYSA-N 0 3 274.364 2.115 20 30 CEEDHN Cc1ccc(C(=O)NC[C@H](C)N2CCCCC2)cc1C#N ZINC000799568203 631046333 /nfs/dbraw/zinc/04/63/33/631046333.db2.gz IWDRJMQONQWTQH-AWEZNQCLSA-N 0 3 285.391 2.471 20 30 CEEDHN C=CCC[C@H](CO)NCc1ncc(C)c(OC)c1C ZINC000320617220 631053291 /nfs/dbraw/zinc/05/32/91/631053291.db2.gz HTDOMNGJBJAXGZ-CYBMUJFWSA-N 0 3 264.369 2.124 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CCC(N(C)CCF)CC1 ZINC000985568762 631142490 /nfs/dbraw/zinc/14/24/90/631142490.db2.gz MTHZUYLMHXJJCH-UHFFFAOYSA-N 0 3 270.392 2.481 20 30 CEEDHN CCC1(CC)CNC(=O)[C@H]1N[C@H](C)CC(C)(C)C#N ZINC000897341871 631146067 /nfs/dbraw/zinc/14/60/67/631146067.db2.gz NEZMBZICLKHJIA-VXGBXAGGSA-N 0 3 265.401 2.209 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccsc2)CC1 ZINC000801018191 631158831 /nfs/dbraw/zinc/15/88/31/631158831.db2.gz PYOZCKOZVRZDGS-LBPRGKRZSA-N 0 3 276.405 2.271 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1CCC(N(C)CCF)CC1 ZINC000985625955 631160951 /nfs/dbraw/zinc/16/09/51/631160951.db2.gz VNHNGZMBLYXYJM-HNNXBMFYSA-N 0 3 270.392 2.481 20 30 CEEDHN CCCCCCN(C)CC(=O)N[C@H](CC#N)C(F)(F)F ZINC000928809909 631170758 /nfs/dbraw/zinc/17/07/58/631170758.db2.gz RZNGKXUFGNERSG-LLVKDONJSA-N 0 3 293.333 2.459 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000801911220 631350903 /nfs/dbraw/zinc/35/09/03/631350903.db2.gz GQTONLWETXKCGC-YOEHRIQHSA-N 0 3 288.391 2.361 20 30 CEEDHN CO[C@@H]1C[C@H](N[C@H](C)c2cc(C#N)ccn2)C1(C)C ZINC000902836600 634852329 /nfs/dbraw/zinc/85/23/29/634852329.db2.gz YYRFFIYJESQKIW-DDTOSNHZSA-N 0 3 259.353 2.417 20 30 CEEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc[nH]2)nc(C)n1 ZINC000802037956 631377440 /nfs/dbraw/zinc/37/74/40/631377440.db2.gz DCCYYLBCGACAPX-SZZPACECSA-N 0 3 266.304 2.311 20 30 CEEDHN CCC(=O)N1C[C@H](NCc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000987657613 631440544 /nfs/dbraw/zinc/44/05/44/631440544.db2.gz QNLUZXUXVOTRGU-SMDDNHRTSA-N 0 3 289.354 2.186 20 30 CEEDHN C=C(C)CNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897444284 631521793 /nfs/dbraw/zinc/52/17/93/631521793.db2.gz AAQUHGRFJONODV-OAHLLOKOSA-N 0 3 276.380 2.427 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2sccc2Cl)C1 ZINC000988865883 631701031 /nfs/dbraw/zinc/70/10/31/631701031.db2.gz LOSNPYIAKWXXMN-NXEZZACHSA-N 0 3 282.796 2.227 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3ccncc3s2)C1 ZINC000988962586 631711727 /nfs/dbraw/zinc/71/17/27/631711727.db2.gz SHGRJFFYOKNICL-YPMHNXCESA-N 0 3 299.399 2.122 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2nccc3ccsc32)C1 ZINC000988985488 631714487 /nfs/dbraw/zinc/71/44/87/631714487.db2.gz KSPYMJJKPCLBMA-WCQYABFASA-N 0 3 299.399 2.122 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2c(C)oc(C)c2C)C1 ZINC000989142648 631734895 /nfs/dbraw/zinc/73/48/95/631734895.db2.gz IZPRDVPEQMBRHW-HZMBPMFUSA-N 0 3 274.364 2.031 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2cc(C)ccc2C)C1 ZINC000989394806 631808122 /nfs/dbraw/zinc/80/81/22/631808122.db2.gz CDWZKQVEVBKQKS-DOTOQJQBSA-N 0 3 284.403 2.058 20 30 CEEDHN CCSCC(=NNC1=NC[C@@H](C)N1)c1ccccc1 ZINC000807981972 631896404 /nfs/dbraw/zinc/89/64/04/631896404.db2.gz ULVKQWOOUYPTPY-LLVKDONJSA-N 0 3 276.409 2.081 20 30 CEEDHN C#C[C@@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)C(C)(C)C ZINC000808297001 631947105 /nfs/dbraw/zinc/94/71/05/631947105.db2.gz UIQYNHYTHHQXAU-LSDHHAIUSA-N 0 3 291.439 2.350 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@H]2c3ccccc3OC[C@H]2CO)C1 ZINC000897948203 631987705 /nfs/dbraw/zinc/98/77/05/631987705.db2.gz ZQPSQCQWTNYIFB-BRXULGCHSA-N 0 3 272.348 2.010 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C)cc2Cl)C1 ZINC000989469869 632178665 /nfs/dbraw/zinc/17/86/65/632178665.db2.gz MXJVCLICAKBUQU-CHWSQXEVSA-N 0 3 290.794 2.474 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CCc2ccccc2C)C1 ZINC000989486922 632183705 /nfs/dbraw/zinc/18/37/05/632183705.db2.gz WKUWZKPPXPNACR-RDJZCZTQSA-N 0 3 284.403 2.140 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc(F)c2Cl)C1 ZINC000989480075 632183942 /nfs/dbraw/zinc/18/39/42/632183942.db2.gz HSJKSUVLGPRRID-WDEREUQCSA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cnc3ccccc3c2)C1 ZINC000989487339 632188107 /nfs/dbraw/zinc/18/81/07/632188107.db2.gz KLNOJPCKHBYZDH-CJNGLKHVSA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCCN1CCCN(C(=O)c2cccc(C)c2C)CC1 ZINC000989590926 632208359 /nfs/dbraw/zinc/20/83/59/632208359.db2.gz ADXWFSWSRCOPMN-UHFFFAOYSA-N 0 3 284.403 2.475 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1cccc(Cl)c1F ZINC000810533302 632223549 /nfs/dbraw/zinc/22/35/49/632223549.db2.gz LKOPJHHJQYFEED-SNVBAGLBSA-N 0 3 296.729 2.255 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc3ccccc3n2)C1 ZINC000989710218 632228079 /nfs/dbraw/zinc/22/80/79/632228079.db2.gz CGTMAQHCVVIFKX-DZGCQCFKSA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3[nH]ccc3s2)C1 ZINC000989730847 632231250 /nfs/dbraw/zinc/23/12/50/632231250.db2.gz QRMAICYCRREKPM-QWRGUYRKSA-N 0 3 287.388 2.055 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(CC)cc2)C1 ZINC000989742469 632235501 /nfs/dbraw/zinc/23/55/01/632235501.db2.gz UIVWICCDIFSCCQ-CZUORRHYSA-N 0 3 270.376 2.075 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(CC)c(C)s2)C1 ZINC000989768288 632237314 /nfs/dbraw/zinc/23/73/14/632237314.db2.gz BXRBQWJRKJAFBD-FZMZJTMJSA-N 0 3 290.432 2.445 20 30 CEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cc(C)no3)CCC[C@H]12 ZINC000989935618 632284887 /nfs/dbraw/zinc/28/48/87/632284887.db2.gz JOZNIJMBPCTZOF-GOEBONIOSA-N 0 3 289.379 2.286 20 30 CEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cscn3)CCC[C@@H]12 ZINC000990024561 632303456 /nfs/dbraw/zinc/30/34/56/632303456.db2.gz DHPAWJQEAMQNDO-UKRRQHHQSA-N 0 3 291.420 2.446 20 30 CEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cscn3)CCC[C@H]12 ZINC000990024557 632303704 /nfs/dbraw/zinc/30/37/04/632303704.db2.gz DHPAWJQEAMQNDO-DZGCQCFKSA-N 0 3 291.420 2.446 20 30 CEEDHN C#CC1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000826651584 635802163 /nfs/dbraw/zinc/80/21/63/635802163.db2.gz ACDRVBBMOZPUGO-HNNXBMFYSA-N 0 3 291.439 2.162 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001007068980 632313617 /nfs/dbraw/zinc/31/36/17/632313617.db2.gz GQDJHBVRFVVWOD-INIZCTEOSA-N 0 3 274.408 2.481 20 30 CEEDHN C[C@@H](NCCO[C@H]1CCOC1)c1ccc(C#N)c(F)c1 ZINC000927081221 632449116 /nfs/dbraw/zinc/44/91/16/632449116.db2.gz QHSNFZBJSSBQMZ-RISCZKNCSA-N 0 3 278.327 2.153 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000812350389 632517015 /nfs/dbraw/zinc/51/70/15/632517015.db2.gz NSHFKXDVAINSBR-RWMBFGLXSA-N 0 3 277.368 2.030 20 30 CEEDHN CC(COC(=O)c1ccccc1SCC#N)[N+](=O)[O-] ZINC000813111210 632627564 /nfs/dbraw/zinc/62/75/64/632627564.db2.gz CVSXDXQRBHRHHD-SECBINFHSA-N 0 3 280.305 2.124 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000899170324 632725241 /nfs/dbraw/zinc/72/52/41/632725241.db2.gz OVTSYTJOKBQWEX-CYBMUJFWSA-N 0 3 297.362 2.246 20 30 CEEDHN CC1/C(=C\c2cnn(C3CCC3)c2)C(=O)c2ncnn21 ZINC000899381732 632822622 /nfs/dbraw/zinc/82/26/22/632822622.db2.gz SCTWCEYGONMJJT-JOZRWXFHSA-N 0 3 269.308 2.041 20 30 CEEDHN CCc1ccc(C#CC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000815784993 633060747 /nfs/dbraw/zinc/06/07/47/633060747.db2.gz QWOHMEUUPHORKH-KBXCAEBGSA-N 0 3 296.414 2.199 20 30 CEEDHN N#Cc1ccc(CNC[C@@H]2COC3(CCCC3)O2)cc1F ZINC000817408638 633649864 /nfs/dbraw/zinc/64/98/64/633649864.db2.gz KHRBPIITPLYHAV-CQSZACIVSA-N 0 3 290.338 2.473 20 30 CEEDHN O[C@@H](CNCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000818946385 634012760 /nfs/dbraw/zinc/01/27/60/634012760.db2.gz LRCICUWFHSPMAR-AWEZNQCLSA-N 0 3 283.293 2.417 20 30 CEEDHN C=C(Br)CNC[C@@H](O)CCC(C)C ZINC000818979180 634026906 /nfs/dbraw/zinc/02/69/06/634026906.db2.gz HZLYWXWLNIHCMP-JTQLQIEISA-N 0 3 250.180 2.282 20 30 CEEDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(C#N)cc1 ZINC000902827778 634844758 /nfs/dbraw/zinc/84/47/58/634844758.db2.gz PDBSAPZWVVDQST-LSDHHAIUSA-N 0 3 284.363 2.259 20 30 CEEDHN CC[C@H](NCC(=O)N(C)CC)c1cccc(C#N)c1 ZINC000902960323 634914349 /nfs/dbraw/zinc/91/43/49/634914349.db2.gz SLAKZXGDRCXFDJ-AWEZNQCLSA-N 0 3 259.353 2.077 20 30 CEEDHN CC(C)CC[C@@H](CO)N[C@H](C)c1cc(C#N)ccn1 ZINC000903063243 634951719 /nfs/dbraw/zinc/95/17/19/634951719.db2.gz ASXACRRFHHPIJB-OCCSQVGLSA-N 0 3 261.369 2.401 20 30 CEEDHN N#Cc1csc(CN[C@H]2CCCC[C@@H]2CCCO)n1 ZINC000903264037 635035839 /nfs/dbraw/zinc/03/58/39/635035839.db2.gz QPUQRZNDCKAEOS-YPMHNXCESA-N 0 3 279.409 2.436 20 30 CEEDHN C=CC(C)(C)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000904525281 635657097 /nfs/dbraw/zinc/65/70/97/635657097.db2.gz VLZUKQBEWZIGQY-AWEZNQCLSA-N 0 3 289.379 2.434 20 30 CEEDHN C#C[C@@H](NC(=O)NC1CCN(CC=C)CC1)c1ccccc1 ZINC000826046068 635751444 /nfs/dbraw/zinc/75/14/44/635751444.db2.gz HXESXXRGQFYNJB-QGZVFWFLSA-N 0 3 297.402 2.311 20 30 CEEDHN C[C@H](C#N)Oc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905079673 635796783 /nfs/dbraw/zinc/79/67/83/635796783.db2.gz DNBHBQBIXHQOBW-QOWMEECXSA-N 0 3 294.314 2.410 20 30 CEEDHN Cc1cn2c(/C=C3/C(=O)c4ncnn4C3C)c(C)nc2s1 ZINC000905079339 635796791 /nfs/dbraw/zinc/79/67/91/635796791.db2.gz BHKWOTOZPULLKA-YNYSXPKMSA-N 0 3 299.359 2.445 20 30 CEEDHN COCCOc1cccc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905080947 635797289 /nfs/dbraw/zinc/79/72/89/635797289.db2.gz OQLOGZOOZZAIHV-RLIURORJSA-N 0 3 299.330 2.144 20 30 CEEDHN Cc1cc(/C=C2\C(=O)c3ncnn3C2C)cc(C)c1O ZINC000905081820 635797649 /nfs/dbraw/zinc/79/76/49/635797649.db2.gz TVYFHYFNBKPGDF-OGGBREFQSA-N 0 3 269.304 2.441 20 30 CEEDHN Cc1cc(/C=C2\C(=O)c3ncnn3C2C)cc(C)c1O ZINC000905081813 635797755 /nfs/dbraw/zinc/79/77/55/635797755.db2.gz TVYFHYFNBKPGDF-GWHHBTOMSA-N 0 3 269.304 2.441 20 30 CEEDHN CC1/C(=C\c2c[nH]c(C(F)(F)F)c2)C(=O)c2ncnn21 ZINC000905083171 635798278 /nfs/dbraw/zinc/79/82/78/635798278.db2.gz CBEKOUYRCLKAMD-YYHMDIAISA-N 0 3 282.225 2.466 20 30 CEEDHN C#C[C@H](NCc1ccc(C#N)c(OC)c1)C1CCOCC1 ZINC000827559235 636353150 /nfs/dbraw/zinc/35/31/50/636353150.db2.gz DCZQPVKVWCQKDL-INIZCTEOSA-N 0 3 284.359 2.085 20 30 CEEDHN C#CCOc1ccccc1CN1CC[C@H]2COC[C@H]2C1 ZINC000827596394 636363235 /nfs/dbraw/zinc/36/32/35/636363235.db2.gz WXDRCBLGVRZDQX-JKSUJKDBSA-N 0 3 271.360 2.167 20 30 CEEDHN C#CCCN(CCOC)CC1=Cc2ccccc2OC1 ZINC000827822581 636434580 /nfs/dbraw/zinc/43/45/80/636434580.db2.gz ALTDMIJIMYRRMH-UHFFFAOYSA-N 0 3 271.360 2.434 20 30 CEEDHN C#CCCN(CCOC)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000827823264 636434631 /nfs/dbraw/zinc/43/46/31/636434631.db2.gz MXUQJULNKLZVKM-OAHLLOKOSA-N 0 3 286.375 2.449 20 30 CEEDHN CC(C)(CN[C@@H](C(N)=O)c1ccc(C#N)cc1)CC(F)F ZINC000905779008 636436449 /nfs/dbraw/zinc/43/64/49/636436449.db2.gz ZEZSCQNNBVADLU-CYBMUJFWSA-N 0 3 295.333 2.356 20 30 CEEDHN C=CCN1CC[C@H](N[C@@H](C)COCC2CCCCC2)C1=O ZINC000905856526 636509980 /nfs/dbraw/zinc/50/99/80/636509980.db2.gz DKIXCIIPFMYWNS-HOCLYGCPSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)NCCCC)C1 ZINC000829773179 636926424 /nfs/dbraw/zinc/92/64/24/636926424.db2.gz BJNXNEFXMGLQTL-UONOGXRCSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)NCCC(C)(C)C)C1 ZINC000829789334 636930597 /nfs/dbraw/zinc/93/05/97/636930597.db2.gz SHXZCHOFVNUMAR-CQSZACIVSA-N 0 3 264.413 2.274 20 30 CEEDHN C#CC1CCN([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000830305192 637031659 /nfs/dbraw/zinc/03/16/59/637031659.db2.gz IKZAKLUXYIDBAQ-ZNMIVQPWSA-N 0 3 276.424 2.225 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1c[nH]c2ccccc12 ZINC000876546961 650317369 /nfs/dbraw/zinc/31/73/69/650317369.db2.gz CCEGROSMXBJBPG-ZDUSSCGKSA-N 0 3 291.782 2.297 20 30 CEEDHN C#CCCCCCCN(C)CC(=O)N1CCCC1 ZINC000876552609 650321413 /nfs/dbraw/zinc/32/14/13/650321413.db2.gz WZTTYXMXLVDLFE-UHFFFAOYSA-N 0 3 250.386 2.124 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCCOC)cc1 ZINC000876592242 650349627 /nfs/dbraw/zinc/34/96/27/650349627.db2.gz DLBWCLMKEBNKJE-CYBMUJFWSA-N 0 3 298.770 2.120 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)Cc1ccccc1F ZINC000876592869 650349673 /nfs/dbraw/zinc/34/96/73/650349673.db2.gz IQCCKIUJORUTTK-GXFFZTMASA-N 0 3 284.762 2.343 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000876593969 650351085 /nfs/dbraw/zinc/35/10/85/650351085.db2.gz OHBJDXCTIJLYCF-KGYLQXTDSA-N 0 3 288.819 2.168 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000876621537 650363734 /nfs/dbraw/zinc/36/37/34/650363734.db2.gz BDRLBBIPFKWNQA-FRRDWIJNSA-N 0 3 282.746 2.268 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2cc(OC)ccc21 ZINC000876630672 650367346 /nfs/dbraw/zinc/36/73/46/650367346.db2.gz HXTQEQNGUIRBDN-GFCCVEGCSA-N 0 3 280.755 2.054 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2ccc(F)cc21 ZINC000876631884 650368435 /nfs/dbraw/zinc/36/84/35/650368435.db2.gz YHCSLDCQSDUQGX-NSHDSACASA-N 0 3 268.719 2.185 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCc2c1cccc2OC ZINC000876645918 650373649 /nfs/dbraw/zinc/37/36/49/650373649.db2.gz PYMDHGKFKQVBTL-CHWSQXEVSA-N 0 3 294.782 2.269 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cnc(Cl)cc1C ZINC000876655736 650379009 /nfs/dbraw/zinc/37/90/09/650379009.db2.gz SVJUZPNIJHHZJP-QMMMGPOBSA-N 0 3 274.151 2.452 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N1CCCN(CC)C[C@@H]1C ZINC000910279705 637973176 /nfs/dbraw/zinc/97/31/76/637973176.db2.gz LJMKGKJWXVIOAD-GOEBONIOSA-N 0 3 282.428 2.158 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N1CCCN(CC)C[C@@H]1C ZINC000910279707 637973890 /nfs/dbraw/zinc/97/38/90/637973890.db2.gz LJMKGKJWXVIOAD-HOCLYGCPSA-N 0 3 282.428 2.158 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000876663553 650385554 /nfs/dbraw/zinc/38/55/54/650385554.db2.gz XYFVIQNDECCAGH-LLHIFLOGSA-N 0 3 258.793 2.397 20 30 CEEDHN CC1(C)OCC[C@H]1NN=C1CCCc2ccc(N)cc21 ZINC000835020332 638026783 /nfs/dbraw/zinc/02/67/83/638026783.db2.gz GZHHTEBCQISOLL-OAHLLOKOSA-N 0 3 273.380 2.466 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000876681904 650396701 /nfs/dbraw/zinc/39/67/01/650396701.db2.gz BMQWEAHBHQWOMH-KCQAQPDRSA-N 0 3 278.783 2.303 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)c1ccc(OC)c(F)c1 ZINC000876691791 650402803 /nfs/dbraw/zinc/40/28/03/650402803.db2.gz QCQFTUTTWMSMTB-NSHDSACASA-N 0 3 286.734 2.267 20 30 CEEDHN COCC1CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876692920 650403298 /nfs/dbraw/zinc/40/32/98/650403298.db2.gz JTTQFHKFVLIAFU-UHFFFAOYSA-N 0 3 287.407 2.483 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@H](OC)C1(CC)CC ZINC000876703278 650406597 /nfs/dbraw/zinc/40/65/97/650406597.db2.gz JXQDTRQSQDXZNJ-TUAOUCFPSA-N 0 3 288.819 2.166 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000876712293 650407812 /nfs/dbraw/zinc/40/78/12/650407812.db2.gz FJGSYZFXWUMHLS-NXEZZACHSA-N 0 3 292.770 2.210 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(SC)cn1 ZINC000876733303 650412987 /nfs/dbraw/zinc/41/29/87/650412987.db2.gz UWWKULLMZZLXBN-VIFPVBQESA-N 0 3 271.773 2.212 20 30 CEEDHN C#CCCCCCCN1CCN(C(C)=O)C[C@@H]1C ZINC000876748211 650417756 /nfs/dbraw/zinc/41/77/56/650417756.db2.gz YKMXBLSOBRTJIG-AWEZNQCLSA-N 0 3 250.386 2.123 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)N(CC)CC2 ZINC000876749769 650418996 /nfs/dbraw/zinc/41/89/96/650418996.db2.gz QJKCDFUETNHUFK-ZDUSSCGKSA-N 0 3 293.798 2.477 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000911917741 638464105 /nfs/dbraw/zinc/46/41/05/638464105.db2.gz NVYQIZKBLFAMOQ-CQSZACIVSA-N 0 3 275.352 2.267 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)nc(C)n2C ZINC000876773584 650427176 /nfs/dbraw/zinc/42/71/76/650427176.db2.gz AVFTXGXVABVVPI-LLVKDONJSA-N 0 3 292.770 2.290 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCCCC1CCCC1 ZINC000836206018 638572896 /nfs/dbraw/zinc/57/28/96/638572896.db2.gz CHDRMOQLBKWMLI-UHFFFAOYSA-N 0 3 279.428 2.211 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000836286537 638592281 /nfs/dbraw/zinc/59/22/81/638592281.db2.gz HGJJXKAMCUHWET-QGZVFWFLSA-N 0 3 299.418 2.237 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000912275491 638637683 /nfs/dbraw/zinc/63/76/83/638637683.db2.gz NJLQWNRXXARHRR-ZDUSSCGKSA-N 0 3 287.363 2.193 20 30 CEEDHN C#CCCCCCCN1CCOC2(CCOCC2)C1 ZINC000876804867 650439660 /nfs/dbraw/zinc/43/96/60/650439660.db2.gz URYSXSNGSLKWQK-UHFFFAOYSA-N 0 3 265.397 2.452 20 30 CEEDHN N#CC1(C(=O)NC[C@H]2NCCc3ccccc32)CC2(CC2)C1 ZINC000876845714 650456416 /nfs/dbraw/zinc/45/64/16/650456416.db2.gz HNNHSESXBSEJOJ-OAHLLOKOSA-N 0 3 295.386 2.074 20 30 CEEDHN C=CCONC(=O)c1cccc(CN2CCCC2)c1 ZINC000837043680 639027390 /nfs/dbraw/zinc/02/73/90/639027390.db2.gz FCZJUOHTHURWHZ-UHFFFAOYSA-N 0 3 260.337 2.130 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000876872468 650467148 /nfs/dbraw/zinc/46/71/48/650467148.db2.gz DMEDTPHZNDLNFO-CQSZACIVSA-N 0 3 295.814 2.181 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](C)C(C)(C)C1 ZINC000876908337 650473041 /nfs/dbraw/zinc/47/30/41/650473041.db2.gz MBXGFRRSSWZRND-MWLCHTKSSA-N 0 3 258.793 2.351 20 30 CEEDHN O=C(C#CC1CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000837307498 639179247 /nfs/dbraw/zinc/17/92/47/639179247.db2.gz UIIVRFAZDSPWRW-UHFFFAOYSA-N 0 3 282.387 2.181 20 30 CEEDHN CN(C)CCN(CC1CCCCC1)C(=O)C#CC1CC1 ZINC000837361063 639202289 /nfs/dbraw/zinc/20/22/89/639202289.db2.gz QYOURKFQBYMJAY-UHFFFAOYSA-N 0 3 276.424 2.370 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(C2CC2)CCC1 ZINC000876903887 650480467 /nfs/dbraw/zinc/48/04/67/650480467.db2.gz ZTLLSCYJSFWKRP-NSHDSACASA-N 0 3 256.777 2.153 20 30 CEEDHN Cc1cc(CN(C)C)cc(NC(=O)C#CC2CC2)c1 ZINC000837497471 639254612 /nfs/dbraw/zinc/25/46/12/639254612.db2.gz ORWOGKSDHFXSKG-UHFFFAOYSA-N 0 3 256.349 2.409 20 30 CEEDHN C[C@@H]1CCCN(CCNCc2cc(C#N)cnc2Cl)C1 ZINC000876930774 650490593 /nfs/dbraw/zinc/49/05/93/650490593.db2.gz CTSHSTNKRICTLM-GFCCVEGCSA-N 0 3 292.814 2.428 20 30 CEEDHN CN(CCOC(=O)c1c[nH]c(C#N)c1)Cc1ccccc1 ZINC000837689698 639344546 /nfs/dbraw/zinc/34/45/46/639344546.db2.gz XAGFUTWHXAZQPS-UHFFFAOYSA-N 0 3 283.331 2.175 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@H]1c1ccc(C)cc1 ZINC000876936786 650494554 /nfs/dbraw/zinc/49/45/54/650494554.db2.gz NOHPYJFVBAZFOF-MELADBBJSA-N 0 3 278.783 2.437 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1CCC(F)CC1 ZINC000876940044 650497252 /nfs/dbraw/zinc/49/72/52/650497252.db2.gz OVHXDFSURFTMNY-VQXHTEKXSA-N 0 3 262.756 2.101 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cc(C)cc(C)c1 ZINC000876963933 650509468 /nfs/dbraw/zinc/50/94/68/650509468.db2.gz LOBYRGOFPSLLDE-CYBMUJFWSA-N 0 3 266.772 2.390 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](CC)CC[C@H]1C ZINC000876970955 650512598 /nfs/dbraw/zinc/51/25/98/650512598.db2.gz HRAICCDLQMANML-UTUOFQBUSA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC[C@H]1CC1(Cl)Cl ZINC000876984036 650518788 /nfs/dbraw/zinc/51/87/88/650518788.db2.gz CXCNIKKSHARRAO-JGVFFNPUSA-N 0 3 285.602 2.156 20 30 CEEDHN C=CCN1CCC(NC(=O)COCCCCCC)CC1 ZINC000171605867 639723866 /nfs/dbraw/zinc/72/38/66/639723866.db2.gz QDYKSTRDXAZAPZ-UHFFFAOYSA-N 0 3 282.428 2.350 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC)[C@@H]1CC1(C)C ZINC000841587841 639788992 /nfs/dbraw/zinc/78/89/92/639788992.db2.gz MBOJKLIERKDPDU-KBPBESRZSA-N 0 3 279.428 2.065 20 30 CEEDHN COCCCON=Cc1ccc(N(C)C)cc1C ZINC000841637125 639805517 /nfs/dbraw/zinc/80/55/17/639805517.db2.gz DUEMKXSDVGNBIG-UHFFFAOYSA-N 0 3 250.342 2.448 20 30 CEEDHN CCN(CC)c1ccc(C=NN2CCC[C@H]2CO)cc1 ZINC000841663336 639829831 /nfs/dbraw/zinc/82/98/31/639829831.db2.gz YHDTVISQHIRYPD-INIZCTEOSA-N 0 3 275.396 2.323 20 30 CEEDHN CCC(CC)(CO)NCc1cc(C#N)cnc1Cl ZINC000877037377 650542336 /nfs/dbraw/zinc/54/23/36/650542336.db2.gz PAGVMHUXPZYUCT-UHFFFAOYSA-N 0 3 267.760 2.247 20 30 CEEDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C[C@H](O)CC#N ZINC000929676406 640016730 /nfs/dbraw/zinc/01/67/30/640016730.db2.gz PALYOZDEOWVNRD-UXIGCNINSA-N 0 3 262.328 2.278 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccnc(C)c3)CCC[C@H]12 ZINC000992356854 640032852 /nfs/dbraw/zinc/03/28/52/640032852.db2.gz CMTILFQWULPVQW-WMZOPIPTSA-N 0 3 297.402 2.140 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3CC34CCCC4)CCC[C@@H]12 ZINC000992376908 640035151 /nfs/dbraw/zinc/03/51/51/640035151.db2.gz GUQSTEIKLXZJJU-HDMKZQKVSA-N 0 3 286.419 2.313 20 30 CEEDHN C[C@@](O)(CNCc1cccc(C#N)n1)c1cccs1 ZINC000877050046 650548131 /nfs/dbraw/zinc/54/81/31/650548131.db2.gz YEJRJOYKLSWWQC-CQSZACIVSA-N 0 3 273.361 2.012 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2cncc(F)c2)c1 ZINC000151597546 640046584 /nfs/dbraw/zinc/04/65/84/640046584.db2.gz YLNIFGOXOVQMLX-CQSZACIVSA-N 0 3 297.289 2.490 20 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C=CCN(C[C@H]1CC2(CCC2)CO1)[C@H](C)COC ZINC000878889789 651204246 /nfs/dbraw/zinc/20/42/46/651204246.db2.gz IIIDLRMJOFLOCK-ZIAGYGMSSA-N 0 3 253.386 2.469 20 30 CEEDHN CCOCCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585797 651327782 /nfs/dbraw/zinc/32/77/82/651327782.db2.gz OUWJIEYJOYDPMK-UHFFFAOYSA-N 0 3 273.380 2.107 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C(C)(C)O)CC1 ZINC000879626419 651332843 /nfs/dbraw/zinc/33/28/43/651332843.db2.gz WPMJAEDXVDLBTO-AWEZNQCLSA-N 0 3 294.439 2.058 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1CC=C[C@@H]1CO ZINC000880488123 651449504 /nfs/dbraw/zinc/44/95/04/651449504.db2.gz XQQMJLDOGQKKRY-CQSZACIVSA-N 0 3 256.349 2.220 20 30 CEEDHN CC[C@@](C)(CC(=O)OC)NCc1cc(C#N)ccc1OC ZINC000130022002 652203788 /nfs/dbraw/zinc/20/37/88/652203788.db2.gz UXEGTWRTWOYNAH-INIZCTEOSA-N 0 3 290.363 2.388 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H](CO)C/C=C\C ZINC000883091059 652361456 /nfs/dbraw/zinc/36/14/56/652361456.db2.gz CIDLFZAEWMFGBI-UYWPIULCSA-N 0 3 259.349 2.115 20 30 CEEDHN C#CC[C@@H](CO)NCc1cnc(-c2ccccc2F)s1 ZINC000883125830 652370748 /nfs/dbraw/zinc/37/07/48/652370748.db2.gz WGTNGUCPWQQGEF-NSHDSACASA-N 0 3 290.363 2.423 20 30 CEEDHN COC[C@H](NCc1ccc(C#N)cc1F)[C@H]1CCCOC1 ZINC000883187202 652393595 /nfs/dbraw/zinc/39/35/95/652393595.db2.gz IZZWTPLKQGEGMP-HOCLYGCPSA-N 0 3 292.354 2.229 20 30 CEEDHN C=CCC[C@@H](NCc1ccnc(N(C)C)n1)[C@@H]1CCCO1 ZINC000883210564 652401503 /nfs/dbraw/zinc/40/15/03/652401503.db2.gz WCVOKYKNSKZHCT-CABCVRRESA-N 0 3 290.411 2.146 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2ccnc(-c3ccccn3)n2)C1 ZINC000883294319 652426208 /nfs/dbraw/zinc/42/62/08/652426208.db2.gz WEWFIXDIXHVUPR-QWHCGFSZSA-N 0 3 279.347 2.320 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1nc2ccccc2n1CC ZINC000883401305 652457317 /nfs/dbraw/zinc/45/73/17/652457317.db2.gz JOGLTHGJTZHORO-ZDUSSCGKSA-N 0 3 273.380 2.473 20 30 CEEDHN C[C@@H]1CCC[C@H](N(C)C(=O)C2CC3(C2)CNC[C@@H]3C#N)C1 ZINC000884076558 652696651 /nfs/dbraw/zinc/69/66/51/652696651.db2.gz HVKYNZGVJJXVRQ-GQGDVANPSA-N 0 3 289.423 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ZINC001088771527 806712690 /nfs/dbraw/zinc/71/26/90/806712690.db2.gz LTODMPBIOJWJDF-KGLIPLIRSA-N 0 3 290.411 2.233 20 30 CEEDHN C[C@@H](NCCNC(=O)C#CC1CC1)c1cccc(F)c1 ZINC001126886315 806750567 /nfs/dbraw/zinc/75/05/67/806750567.db2.gz PZWWXRUYRHGCKN-GFCCVEGCSA-N 0 3 274.339 2.006 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCc3cccnc32)[C@H]1C ZINC001088822687 806772419 /nfs/dbraw/zinc/77/24/19/806772419.db2.gz CUWDOZPTLWUHSF-BMFZPTHFSA-N 0 3 299.418 2.267 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccn(C)c3C)[C@@H]2C1 ZINC001076217269 806826704 /nfs/dbraw/zinc/82/67/04/806826704.db2.gz LWVHFFMARROVTK-GOEBONIOSA-N 0 3 287.407 2.056 20 30 CEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(C=C)cc3)[C@@H]2C1 ZINC001076277697 806831554 /nfs/dbraw/zinc/83/15/54/806831554.db2.gz WMIDSWGYZOWLKQ-ZWKOTPCHSA-N 0 3 294.398 2.499 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001039012805 802343597 /nfs/dbraw/zinc/34/35/97/802343597.db2.gz OQWFPLJNSHPNAC-HNNXBMFYSA-N 0 3 289.423 2.412 20 30 CEEDHN C=CCOCCN1CC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001266325339 802441924 /nfs/dbraw/zinc/44/19/24/802441924.db2.gz MDNSHKYRWLPHJR-HZPDHXFCSA-N 0 3 292.423 2.126 20 30 CEEDHN C=CCN(CCN1[C@@H]2CC[C@H]1C[C@H](C#N)C2)C(=O)OCC ZINC001209022581 802451023 /nfs/dbraw/zinc/45/10/23/802451023.db2.gz NBZXMIDDNONXTQ-QKDCVEJESA-N 0 3 291.395 2.397 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1ccc2cccnc2c1 ZINC001266339990 802458804 /nfs/dbraw/zinc/45/88/04/802458804.db2.gz DSVOQEOKHNSRRN-UHFFFAOYSA-N 0 3 283.375 2.473 20 30 CEEDHN COCCN1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001209214895 802486350 /nfs/dbraw/zinc/48/63/50/802486350.db2.gz HOCHZWTWEGOQQF-HNNXBMFYSA-N 0 3 260.337 2.048 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)[C@@H](F)Cc2ccccc2)C1 ZINC001266360915 802487462 /nfs/dbraw/zinc/48/74/62/802487462.db2.gz FKCUTBNQMYAYJV-HOTGVXAUSA-N 0 3 290.382 2.334 20 30 CEEDHN C#CCCCCC(=O)N[C@H]1CC12CCN(CC#CC)CC2 ZINC001266368297 802498107 /nfs/dbraw/zinc/49/81/07/802498107.db2.gz HHWJEUAFPYFJBE-INIZCTEOSA-N 0 3 286.419 2.174 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC001266492040 802629656 /nfs/dbraw/zinc/62/96/56/802629656.db2.gz GMVPEOVVINJYBI-KRWDZBQOSA-N 0 3 296.414 2.322 20 30 CEEDHN CC(C)C#CC(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001266524217 802673452 /nfs/dbraw/zinc/67/34/52/802673452.db2.gz HIRQFTGBPVZQSE-AWEZNQCLSA-N 0 3 276.405 2.098 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)CCCC[C@@H](C)CC)C1 ZINC001266529406 802679421 /nfs/dbraw/zinc/67/94/21/802679421.db2.gz AXBIWQXKVMZDHS-GJZGRUSLSA-N 0 3 264.413 2.417 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)CCCC(F)(F)F)C1 ZINC001266538057 802692841 /nfs/dbraw/zinc/69/28/41/802692841.db2.gz XUOXAVNCXOTOBH-GFCCVEGCSA-N 0 3 290.329 2.180 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC001041719881 802698912 /nfs/dbraw/zinc/69/89/12/802698912.db2.gz IOKJFWKLYJQNFH-RDJZCZTQSA-N 0 3 276.424 2.226 20 30 CEEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)C#CC2CC2)C1 ZINC001039221038 802726393 /nfs/dbraw/zinc/72/63/93/802726393.db2.gz IRLWELXTVMHZET-MSOLQXFVSA-N 0 3 298.430 2.126 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)CC[C@H]1CC[C@@H](C)O1 ZINC001266578943 802734558 /nfs/dbraw/zinc/73/45/58/802734558.db2.gz CUXXAGKIWXIWET-HZPDHXFCSA-N 0 3 294.439 2.186 20 30 CEEDHN C=C(C)CN(CCNC(=O)c1cnoc1CC)C1CC1 ZINC001266613623 802776955 /nfs/dbraw/zinc/77/69/55/802776955.db2.gz AJVISBWYWROOKP-UHFFFAOYSA-N 0 3 277.368 2.007 20 30 CEEDHN CC#CCNCCN(C)C(=O)C1(c2cccc(C)c2)CCC1 ZINC001266796525 802904760 /nfs/dbraw/zinc/90/47/60/802904760.db2.gz NYHORVOXVZODNZ-UHFFFAOYSA-N 0 3 298.430 2.488 20 30 CEEDHN CN(CCC#N)C(=O)CCN(Cc1ccoc1)C1CC1 ZINC000723746362 802928837 /nfs/dbraw/zinc/92/88/37/802928837.db2.gz ZGFITFQVVGECIJ-UHFFFAOYSA-N 0 3 275.352 2.006 20 30 CEEDHN C=CCCC(=O)NC[C@@H]1CCCCN1CCOC1CCC1 ZINC001266837493 802933615 /nfs/dbraw/zinc/93/36/15/802933615.db2.gz QGKAWJXHOOHCQJ-HNNXBMFYSA-N 0 3 294.439 2.492 20 30 CEEDHN C=CCN1CCCC[C@@H]1CNC(=O)CC1(C)CC1 ZINC001266849511 802939632 /nfs/dbraw/zinc/93/96/32/802939632.db2.gz MSHWXEDNNYRKKE-CYBMUJFWSA-N 0 3 250.386 2.333 20 30 CEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1(CF)CCC1 ZINC001266856421 802947626 /nfs/dbraw/zinc/94/76/26/802947626.db2.gz QRHAAIDKNBHMIU-CQSZACIVSA-N 0 3 280.387 2.120 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCC2 ZINC001039444522 802961886 /nfs/dbraw/zinc/96/18/86/802961886.db2.gz IRQSEQZYPGYGLK-PMPSAXMXSA-N 0 3 286.419 2.265 20 30 CEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC=C ZINC001266886575 802970216 /nfs/dbraw/zinc/97/02/16/802970216.db2.gz NTKVXGULUVXWNR-HOTGVXAUSA-N 0 3 274.408 2.431 20 30 CEEDHN CC#CCN[C@@H](C)CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001266944352 803014452 /nfs/dbraw/zinc/01/44/52/803014452.db2.gz JREGCRMEEZXMFK-CNSOWSRNSA-N 0 3 288.435 2.176 20 30 CEEDHN C#Cc1ccccc1CC(=O)NC[C@H](C)NC[C@H](F)CC ZINC001266990715 803039963 /nfs/dbraw/zinc/03/99/63/803039963.db2.gz VBOLVAYWKQDHJW-XJKSGUPXSA-N 0 3 290.382 2.053 20 30 CEEDHN CC#CCN[C@H](C)CNC(=O)[C@@H](C)c1ccccc1C ZINC001266994560 803044502 /nfs/dbraw/zinc/04/45/02/803044502.db2.gz AIXIESOQFIGHDF-CABCVRRESA-N 0 3 272.392 2.216 20 30 CEEDHN C=C(Br)CNCCCNC(=O)[C@H](C)C(C)C ZINC001167531242 803099759 /nfs/dbraw/zinc/09/97/59/803099759.db2.gz RRJCIKGXKJOFGQ-LLVKDONJSA-N 0 3 291.233 2.283 20 30 CEEDHN C#CCNCCN(C)C(=O)C[C@H](C=C)c1ccccc1 ZINC001267106638 803134000 /nfs/dbraw/zinc/13/40/00/803134000.db2.gz ZSPXGTKVNKTHRV-HNNXBMFYSA-N 0 3 270.376 2.028 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(F)=C(C)C)C[C@@H]21 ZINC001042014734 803200069 /nfs/dbraw/zinc/20/00/69/803200069.db2.gz XOTALLXBTCRPIU-OLZOCXBDSA-N 0 3 266.360 2.359 20 30 CEEDHN SCCCNc1cncc([C@H]2CN3CCC2CC3)n1 ZINC001171004091 813738400 /nfs/dbraw/zinc/73/84/00/813738400.db2.gz PYMKDTZPBFTRKO-LBPRGKRZSA-N 0 3 278.425 2.018 20 30 CEEDHN C#CCCN(C)CCNC(=O)c1cccc(-c2cnco2)c1 ZINC001267224749 803251907 /nfs/dbraw/zinc/25/19/07/803251907.db2.gz LGKYGESMNYATEM-UHFFFAOYSA-N 0 3 297.358 2.027 20 30 CEEDHN C#CCCN(C)CCNC(=O)c1ccc(F)cc1Cl ZINC001267230372 803259648 /nfs/dbraw/zinc/25/96/48/803259648.db2.gz XTKDVBQIFMZLTI-UHFFFAOYSA-N 0 3 282.746 2.164 20 30 CEEDHN C=CCN(CC)CCNC(=O)c1cnc2ccccc2c1 ZINC001267250721 803292628 /nfs/dbraw/zinc/29/26/28/803292628.db2.gz MTUMEDOICUHJBK-UHFFFAOYSA-N 0 3 283.375 2.473 20 30 CEEDHN CCCCCCCCC[C@@H](C)N1CCNC(=O)C12CNC2 ZINC001246632763 814231510 /nfs/dbraw/zinc/23/15/10/814231510.db2.gz ABIKMOAMAMLNQR-OAHLLOKOSA-N 0 3 295.471 2.289 20 30 CEEDHN CO[C@@H]1CCOC[C@H]1N[C@H](C)c1ccc(C#N)cc1 ZINC000724878934 803329448 /nfs/dbraw/zinc/32/94/48/803329448.db2.gz ZQZJMRKBEIVIHE-KCPJHIHWSA-N 0 3 260.337 2.013 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)c1cc(Cl)cn1C ZINC001267314094 803358735 /nfs/dbraw/zinc/35/87/35/803358735.db2.gz AMRWIQKBLPYSPU-UHFFFAOYSA-N 0 3 295.814 2.144 20 30 CEEDHN C=C(C)CN[C@@H](CNC(=O)C[C@H](C)OC)c1ccccc1 ZINC001267350571 803399735 /nfs/dbraw/zinc/39/97/35/803399735.db2.gz FNLJKRDNWMYTLE-HOCLYGCPSA-N 0 3 290.407 2.435 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2CC)OCC ZINC001267409302 803460216 /nfs/dbraw/zinc/46/02/16/803460216.db2.gz CWFMPXGAHDRBGG-QLFBSQMISA-N 0 3 280.412 2.053 20 30 CEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)[C@H]1CC12CCC2 ZINC001267435458 803465565 /nfs/dbraw/zinc/46/55/65/803465565.db2.gz YVWDISKIRMUYTH-MRXNPFEDSA-N 0 3 297.402 2.296 20 30 CEEDHN CC#CCNCCN(C)C(=O)C[C@H]1CCc2ccccc21 ZINC001267442341 803467780 /nfs/dbraw/zinc/46/77/80/803467780.db2.gz PEMMWZPSHIOKSO-MRXNPFEDSA-N 0 3 284.403 2.178 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H]2CCCCO2)C1 ZINC001267453422 803469066 /nfs/dbraw/zinc/46/90/66/803469066.db2.gz BZVOAWXJJNBNOQ-CVEARBPZSA-N 0 3 294.439 2.445 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)Cc3cccs3)[C@@H]2C1 ZINC001075494845 803505038 /nfs/dbraw/zinc/50/50/38/803505038.db2.gz YLGSFDRHMKNYGZ-DZGCQCFKSA-N 0 3 290.432 2.399 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001038325748 803595381 /nfs/dbraw/zinc/59/53/81/803595381.db2.gz ZUPKWJKQOCBKKH-NWDGAFQWSA-N 0 3 272.339 2.188 20 30 CEEDHN C#CCCCC(=O)N[C@H]1CCCN(CCCOC(C)C)C1 ZINC001267625223 803629436 /nfs/dbraw/zinc/62/94/36/803629436.db2.gz YIBRFFZCHZEFGU-INIZCTEOSA-N 0 3 294.439 2.186 20 30 CEEDHN C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001267625329 803630501 /nfs/dbraw/zinc/63/05/01/803630501.db2.gz IBWXZUOEIUFGKT-CQSZACIVSA-N 0 3 288.391 2.362 20 30 CEEDHN C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001267625329 803630505 /nfs/dbraw/zinc/63/05/05/803630505.db2.gz IBWXZUOEIUFGKT-CQSZACIVSA-N 0 3 288.391 2.362 20 30 CEEDHN CC#CCNCCNC(=O)c1c(C)csc1Cl ZINC001149173164 803633685 /nfs/dbraw/zinc/63/36/85/803633685.db2.gz PQUGORWWKHEYDI-UHFFFAOYSA-N 0 3 270.785 2.053 20 30 CEEDHN C=CCOCCN1CCC[C@H](NC(=O)C[C@H](C)C2CC2)C1 ZINC001267634762 803634377 /nfs/dbraw/zinc/63/43/77/803634377.db2.gz NEFIFXFGVPBZGP-HOCLYGCPSA-N 0 3 294.439 2.206 20 30 CEEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC1 ZINC001267705716 803666501 /nfs/dbraw/zinc/66/65/01/803666501.db2.gz KMFJWSKULFECJI-RDBSUJKOSA-N 0 3 262.397 2.426 20 30 CEEDHN C=C(C)CCC(=O)N1CCC(CN(C)CCF)CC1 ZINC001267730417 803680616 /nfs/dbraw/zinc/68/06/16/803680616.db2.gz VRQASBSGVHZRBE-UHFFFAOYSA-N 0 3 270.392 2.483 20 30 CEEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cocn2)C1 ZINC001267739060 803690798 /nfs/dbraw/zinc/69/07/98/803690798.db2.gz WONZVEBMMRWSKH-CYBMUJFWSA-N 0 3 279.384 2.449 20 30 CEEDHN C=C(C)CCC(=O)N(C)[C@H]1CCN(CCOC2CCC2)C1 ZINC001267763203 803717625 /nfs/dbraw/zinc/71/76/25/803717625.db2.gz KXZNATLWCFUGJY-HNNXBMFYSA-N 0 3 294.439 2.445 20 30 CEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)C(C)(C)C2CC2)C1 ZINC001267770559 803722753 /nfs/dbraw/zinc/72/27/53/803722753.db2.gz NIIMHKPSDGIPDN-HNNXBMFYSA-N 0 3 294.439 2.158 20 30 CEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](CC)NCc1ccnn1C ZINC001267818702 803754326 /nfs/dbraw/zinc/75/43/26/803754326.db2.gz MKEUGIJXNHKNNM-CZUORRHYSA-N 0 3 292.427 2.007 20 30 CEEDHN C=C(C)CCC(=O)N[C@](C)(CNCCF)C1CC1 ZINC001267853830 803777462 /nfs/dbraw/zinc/77/74/62/803777462.db2.gz SEOLCSMQWXLZGS-CQSZACIVSA-N 0 3 256.365 2.187 20 30 CEEDHN C#CCCCC(=O)N[C@](C)(CNCc1ccccn1)C1CC1 ZINC001267854699 803779667 /nfs/dbraw/zinc/77/96/67/803779667.db2.gz 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/nfs/dbraw/zinc/23/63/95/804236395.db2.gz VTNAUFMYJCHUKM-LBPRGKRZSA-N 0 3 281.787 2.438 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(C)nc1 ZINC001027757537 804241657 /nfs/dbraw/zinc/24/16/57/804241657.db2.gz DDBQMOQZJFOIQE-OAHLLOKOSA-N 0 3 273.380 2.160 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccnn1C(F)F ZINC001027905365 804332652 /nfs/dbraw/zinc/33/26/52/804332652.db2.gz AQHAJYSZLJYADS-LLVKDONJSA-N 0 3 298.337 2.049 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001027922717 804344568 /nfs/dbraw/zinc/34/45/68/804344568.db2.gz HBZPFXWPWXDMGS-VXGBXAGGSA-N 0 3 272.339 2.188 20 30 CEEDHN CCN1CCC[C@H](N[C@@H](C)c2ccc(C#N)cc2)C1=O ZINC000722355734 804350665 /nfs/dbraw/zinc/35/06/65/804350665.db2.gz KUNNIZVFHHIBAZ-WFASDCNBSA-N 0 3 271.364 2.220 20 30 CEEDHN CC(C)(C#N)CN[C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336717570 804365833 /nfs/dbraw/zinc/36/58/33/804365833.db2.gz UPAZJTFCHKIABQ-BDAKNGLRSA-N 0 3 250.264 2.236 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1c2c[nH]nc2ccc1C ZINC001027983460 804380100 /nfs/dbraw/zinc/38/01/00/804380100.db2.gz MMPUHYVTOQKURR-ZDUSSCGKSA-N 0 3 298.390 2.252 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CCc2cccnc21 ZINC001028100487 804457455 /nfs/dbraw/zinc/45/74/55/804457455.db2.gz FSBWKWGGMSVNFA-HOTGVXAUSA-N 0 3 299.418 2.268 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc2n[nH]cc2c1 ZINC001028104795 804462520 /nfs/dbraw/zinc/46/25/20/804462520.db2.gz MMACFVVDUXCYPF-OAHLLOKOSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001268188262 804533529 /nfs/dbraw/zinc/53/35/29/804533529.db2.gz RUHJQDPVMBHKIU-UKRRQHHQSA-N 0 3 288.391 2.409 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)C(C)(C)C(C)(F)F ZINC001268256427 804579246 /nfs/dbraw/zinc/57/92/46/804579246.db2.gz UEZATULNNKHELC-UHFFFAOYSA-N 0 3 262.344 2.244 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(COC)cc1 ZINC001268257149 804580755 /nfs/dbraw/zinc/58/07/55/804580755.db2.gz TYPWRRWZKRXGMA-UHFFFAOYSA-N 0 3 290.407 2.413 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1ccccc1OC ZINC001268257187 804580807 /nfs/dbraw/zinc/58/08/07/804580807.db2.gz UMKJQDPJKJMADV-UHFFFAOYSA-N 0 3 290.407 2.204 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)[C@H](OCC)c1ccccc1 ZINC001268258298 804581432 /nfs/dbraw/zinc/58/14/32/804581432.db2.gz AWLIKPVZOGXKAJ-MRXNPFEDSA-N 0 3 290.407 2.340 20 30 CEEDHN C[C@H](C#N)C(=O)N[C@H](C)CCNCc1cc(F)ccc1F ZINC001268348059 804623346 /nfs/dbraw/zinc/62/33/46/804623346.db2.gz FYAAWDCXOUTJNF-GHMZBOCLSA-N 0 3 295.333 2.109 20 30 CEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)CC[C@H]1CCOC1 ZINC001268360989 804632010 /nfs/dbraw/zinc/63/20/10/804632010.db2.gz SMXBGNICYZJKPV-OLZOCXBDSA-N 0 3 288.819 2.040 20 30 CEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1OCC[C@H]1CC ZINC001268372861 804638259 /nfs/dbraw/zinc/63/82/59/804638259.db2.gz IRZMNXFZMVQBLU-UPJWGTAASA-N 0 3 288.819 2.038 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1c(F)cccc1F ZINC001028282777 804676014 /nfs/dbraw/zinc/67/60/14/804676014.db2.gz NLAOOUSQSDNVIB-GFCCVEGCSA-N 0 3 292.329 2.182 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(N(C)C)c1 ZINC001028284207 804678300 /nfs/dbraw/zinc/67/83/00/804678300.db2.gz BEKRNBOOILVMPR-MRXNPFEDSA-N 0 3 287.407 2.133 20 30 CEEDHN C#Cc1ccccc1CC(=O)NCCNCc1ccsc1 ZINC001149130429 804691643 /nfs/dbraw/zinc/69/16/43/804691643.db2.gz OFCJVHZAJMYJQZ-UHFFFAOYSA-N 0 3 298.411 2.178 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(COC)cc1 ZINC001028307468 804708643 /nfs/dbraw/zinc/70/86/43/804708643.db2.gz IEUSPHRPUCKNEB-INIZCTEOSA-N 0 3 288.391 2.213 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N(CC)CCNCC#CC ZINC001268476102 804722665 /nfs/dbraw/zinc/72/26/65/804722665.db2.gz DSJFYUAJMBUXQG-OAHLLOKOSA-N 0 3 250.386 2.050 20 30 CEEDHN C=CCCCN1C[C@@H](NC(=O)C2CCCCC2)[C@H](OC)C1 ZINC001211776524 804774947 /nfs/dbraw/zinc/77/49/47/804774947.db2.gz LDAHXWCLTZFOOM-HZPDHXFCSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCNC/C=C\CNC(=O)CCCc1sccc1C ZINC001268620406 804894133 /nfs/dbraw/zinc/89/41/33/804894133.db2.gz WGQVFNRZWDUXQK-PLNGDYQASA-N 0 3 290.432 2.274 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001028624844 804916180 /nfs/dbraw/zinc/91/61/80/804916180.db2.gz IJICFWXRLNAICR-GJZGRUSLSA-N 0 3 274.408 2.028 20 30 CEEDHN C=CCN(C)C[C@H](C)NC(=O)c1sc(Cl)nc1C ZINC001268733056 804949248 /nfs/dbraw/zinc/94/92/48/804949248.db2.gz SFIIBMLCILWDQU-QMMMGPOBSA-N 0 3 287.816 2.341 20 30 CEEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccnn1C(C)C ZINC001268795600 804975242 /nfs/dbraw/zinc/97/52/42/804975242.db2.gz HUAOWXQPCOAASD-UHFFFAOYSA-N 0 3 298.818 2.268 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc(C)c(F)c2)C1 ZINC001028671513 805070420 /nfs/dbraw/zinc/07/04/20/805070420.db2.gz LJAYIEUHGDPGJU-AWEZNQCLSA-N 0 3 288.366 2.209 20 30 CEEDHN C=CCC[C@@H](C)N1CC[C@@H](NC(=O)c2nccs2)C1 ZINC001269182372 805072072 /nfs/dbraw/zinc/07/20/72/805072072.db2.gz HOLRJMHRQHWICQ-VXGBXAGGSA-N 0 3 279.409 2.302 20 30 CEEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCN1CC[C@H]1CCCO1 ZINC001269241326 805097987 /nfs/dbraw/zinc/09/79/87/805097987.db2.gz SXQQVEOHYMMPAQ-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1[nH]c(C)nc1C ZINC001269291804 805116930 /nfs/dbraw/zinc/11/69/30/805116930.db2.gz MMFSNCYXNCQWOG-FZMZJTMJSA-N 0 3 290.411 2.185 20 30 CEEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(C[C@H](C)O)C2)CCCC1 ZINC001269301996 805120199 /nfs/dbraw/zinc/12/01/99/805120199.db2.gz PDDBDPPIRMSAPE-LSDHHAIUSA-N 0 3 294.439 2.036 20 30 CEEDHN CCN(C(=O)C#CC1CC1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001269324349 805130833 /nfs/dbraw/zinc/13/08/33/805130833.db2.gz JXSLLKWPCZLSRC-MRXNPFEDSA-N 0 3 274.408 2.289 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001028729849 805180302 /nfs/dbraw/zinc/18/03/02/805180302.db2.gz VKJCCFYOTZZWBW-AWEZNQCLSA-N 0 3 295.386 2.161 20 30 CEEDHN CC(=O)N[C@](C)(CNCC#Cc1ccc(F)cc1)C1CC1 ZINC001269592043 805207973 /nfs/dbraw/zinc/20/79/73/805207973.db2.gz QAKIOSLLJJDZBR-QGZVFWFLSA-N 0 3 288.366 2.072 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001028799224 805263025 /nfs/dbraw/zinc/26/30/25/805263025.db2.gz ZJXWCHMAGVSPFC-ZIAGYGMSSA-N 0 3 298.377 2.273 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2c(C)cc(C)cc2C)C1 ZINC001028971017 805393853 /nfs/dbraw/zinc/39/38/53/805393853.db2.gz DOEGRTJYCDSQAE-MRXNPFEDSA-N 0 3 284.403 2.297 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CCC(F)F)C2 ZINC001270512289 805455280 /nfs/dbraw/zinc/45/52/80/805455280.db2.gz HQPHPXSMIYKBBG-MRXNPFEDSA-N 0 3 298.377 2.370 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H](C)C2CC2)C1 ZINC001270565730 805470215 /nfs/dbraw/zinc/47/02/15/805470215.db2.gz FWUKKMHKSPMCGB-IUODEOHRSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@@H](C)C2CC2)C1 ZINC001270666680 805514612 /nfs/dbraw/zinc/51/46/12/805514612.db2.gz YTVQJANDRGYLMZ-IUODEOHRSA-N 0 3 250.386 2.189 20 30 CEEDHN CN(C)/C=N/c1ccc(NCC2CC(=O)C2)cc1C#N ZINC001168398599 807079792 /nfs/dbraw/zinc/07/97/92/807079792.db2.gz SNVFDNHHPLIXDX-VCHYOVAHSA-N 0 3 270.336 2.171 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C2(C)CC(=C)C2)[C@H]1C ZINC001088840489 807082964 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CC(C)C[C@H]([NH2+][C@@H](C)Cc1cccc(F)c1)C(=O)N[O-] ZINC001168474463 807694491 /nfs/dbraw/zinc/69/44/91/807694491.db2.gz MFFLBJPZUGXIHH-FZMZJTMJSA-N 0 3 282.359 2.266 20 30 CEEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@H](O)CC1 ZINC001122548911 807709125 /nfs/dbraw/zinc/70/91/25/807709125.db2.gz WLEFQTHTJHJXTJ-GJZGRUSLSA-N 0 3 284.444 2.438 20 30 CEEDHN C=CCN1CC[C@]2(CCC[N@H+]2Cc2ccccc2[O-])C1=O ZINC001272618164 807821031 /nfs/dbraw/zinc/82/10/31/807821031.db2.gz CFHMLKKLDUWUSL-QGZVFWFLSA-N 0 3 286.375 2.145 20 30 CEEDHN C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccccc2[O-])C1=O ZINC001272618164 807821038 /nfs/dbraw/zinc/82/10/38/807821038.db2.gz CFHMLKKLDUWUSL-QGZVFWFLSA-N 0 3 286.375 2.145 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C2CC(F)(F)C2)CC(C)(C)C1 ZINC001089348738 807844816 /nfs/dbraw/zinc/84/48/16/807844816.db2.gz VKKAHBPKUZIQRX-CYBMUJFWSA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(F)c1 ZINC001272652700 807879154 /nfs/dbraw/zinc/87/91/54/807879154.db2.gz AKRVTAAEKGDINM-HZPDHXFCSA-N 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ZINC001120611228 815246097 /nfs/dbraw/zinc/24/60/97/815246097.db2.gz SFEUTILKXQHWME-CVEARBPZSA-N 0 3 277.339 2.021 20 30 CEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2ccon2)C12CCC2 ZINC001078564822 808918020 /nfs/dbraw/zinc/91/80/20/808918020.db2.gz XMHXPLZSLMNMPX-NEPJUHHUSA-N 0 3 295.770 2.058 20 30 CEEDHN C[C@H](c1ccccc1)[C@@H](O)CNCC#C[C@@H]1CCCCO1 ZINC001120611747 815246543 /nfs/dbraw/zinc/24/65/43/815246543.db2.gz VQQVSBXGVUPEMD-NJAFHUGGSA-N 0 3 287.403 2.313 20 30 CEEDHN C=C(C)CCC(=O)NCCNCc1ccc(C#N)cc1 ZINC001128404834 809045324 /nfs/dbraw/zinc/04/53/24/809045324.db2.gz FIRAXEHEHCKJOR-UHFFFAOYSA-N 0 3 271.364 2.120 20 30 CEEDHN CC[C@H](C)[C@H]([NH2+][C@@H]1Cc2cccc(Cl)c2C1)C(=O)N[O-] ZINC001168718013 809097760 /nfs/dbraw/zinc/09/77/60/809097760.db2.gz KWLBZHOTYLEGLY-PXWWUCIGSA-N 0 3 296.798 2.317 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(C)nc2)C1 ZINC001032906069 809113506 /nfs/dbraw/zinc/11/35/06/809113506.db2.gz NWRRBMZTOPSGIT-HNNXBMFYSA-N 0 3 273.380 2.112 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cscc2C)C1 ZINC001032988194 809134832 /nfs/dbraw/zinc/13/48/32/809134832.db2.gz WFWSZGPIZCCIAI-ZDUSSCGKSA-N 0 3 276.405 2.226 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C(C)=C2CCC2)C1 ZINC001033072284 809170265 /nfs/dbraw/zinc/17/02/65/809170265.db2.gz UFIGQTIRUYJKNE-OAHLLOKOSA-N 0 3 260.381 2.043 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001033135986 809196131 /nfs/dbraw/zinc/19/61/31/809196131.db2.gz KVDBENHVIJXWSP-KGLIPLIRSA-N 0 3 298.377 2.368 20 30 CEEDHN CC[C@H](F)CNC1(CNC(=O)C#CC(C)C)CCC1 ZINC001273077603 809201918 /nfs/dbraw/zinc/20/19/18/809201918.db2.gz ODOTUKQYWXNYPW-ZDUSSCGKSA-N 0 3 268.376 2.022 20 30 CEEDHN C=C(C)CN1CC[C@]2(CCCN2C[C@@H]2CCCCO2)C1=O ZINC001273092956 809207761 /nfs/dbraw/zinc/20/77/61/809207761.db2.gz JJJOSHBLAVINBJ-DOTOQJQBSA-N 0 3 292.423 2.199 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001033565454 809338738 /nfs/dbraw/zinc/33/87/38/809338738.db2.gz FKNKSMXVCZVIEM-OAHLLOKOSA-N 0 3 299.418 2.063 20 30 CEEDHN C#Cc1ccc(C(=O)N(C)[C@H]2CCN(CC=C(C)C)C2)cn1 ZINC001033597239 809349979 /nfs/dbraw/zinc/34/99/79/809349979.db2.gz QESBIKVIFNSHCL-KRWDZBQOSA-N 0 3 297.402 2.175 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(F)cc(F)c2)C1 ZINC001033639902 809370450 /nfs/dbraw/zinc/37/04/50/809370450.db2.gz JZHWILQKAAXJEF-HNNXBMFYSA-N 0 3 292.329 2.134 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccc(F)c2)C1 ZINC001033736133 809396959 /nfs/dbraw/zinc/39/69/59/809396959.db2.gz YRUADKDERUICCJ-MRXNPFEDSA-N 0 3 288.366 2.385 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccccc2)C1 ZINC001033733631 809398108 /nfs/dbraw/zinc/39/81/08/809398108.db2.gz FAPVSFOMSMINGE-MRXNPFEDSA-N 0 3 270.376 2.246 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2coc(C)c2)C1 ZINC001033806542 809421066 /nfs/dbraw/zinc/42/10/66/809421066.db2.gz HPWBGPITBYXNQW-OAHLLOKOSA-N 0 3 274.364 2.148 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccn2CC=C)C1 ZINC001033856132 809436508 /nfs/dbraw/zinc/43/65/08/809436508.db2.gz 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C=CCN1C[C@@H](NC(=O)Cc2occc2C)CC[C@H]1C ZINC001071812636 813488115 /nfs/dbraw/zinc/48/81/15/813488115.db2.gz URSKMPLAYHNRJB-KGLIPLIRSA-N 0 3 276.380 2.286 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)c2nccs2)CC[C@@H]1C ZINC001071926837 813514713 /nfs/dbraw/zinc/51/47/13/813514713.db2.gz DMYLFDCTGDHYDH-RYUDHWBXSA-N 0 3 279.409 2.302 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2[nH]cnc2CC)CC[C@H]1C ZINC001072029196 813533543 /nfs/dbraw/zinc/53/35/43/813533543.db2.gz GBQNNGRXYRHJTF-CHWSQXEVSA-N 0 3 290.411 2.131 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3oc(C)cc3C)C2)C1 ZINC001072595944 813619649 /nfs/dbraw/zinc/61/96/49/813619649.db2.gz RWAWLRSODKTRFG-UHFFFAOYSA-N 0 3 274.364 2.230 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3cc(C)cs3)C2)C1 ZINC001072708115 813641143 /nfs/dbraw/zinc/64/11/43/813641143.db2.gz IMKMUJGNXCPRRD-UHFFFAOYSA-N 0 3 276.405 2.390 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3CCC[C@H]3C(F)F)C2)C1 ZINC001072811811 813663414 /nfs/dbraw/zinc/66/34/14/813663414.db2.gz HRBDODRVWBUHKF-CHWSQXEVSA-N 0 3 298.377 2.388 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YPQSZCPZLPRLDV-GCVQQVDUSA-N 0 3 290.860 2.222 20 30 CEEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CN(CC#CC)C[C@@]2(C)C1 ZINC001101252138 814237085 /nfs/dbraw/zinc/23/70/85/814237085.db2.gz CMYIDIKBZOVONO-QAPCUYQASA-N 0 3 288.435 2.392 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)CC(C)(C)C=C)C[C@]2(C)C1 ZINC001101251640 814237980 /nfs/dbraw/zinc/23/79/80/814237980.db2.gz CQMHLUQIPNBEEL-PBHICJAKSA-N 0 3 274.408 2.002 20 30 CEEDHN C=CCCC(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001101806411 814318595 /nfs/dbraw/zinc/31/85/95/814318595.db2.gz PJASDFGSROMSIT-MVTQWGDUSA-N 0 3 270.804 2.389 20 30 CEEDHN N#Cc1cccc(CNCCNC(=O)C(C2CC2)C2CC2)c1 ZINC001147222428 814409368 /nfs/dbraw/zinc/40/93/68/814409368.db2.gz OOSREWOHDJKBQD-UHFFFAOYSA-N 0 3 297.402 2.200 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)[C@@H](C)C=C)C2)C1 ZINC001148137941 814528109 /nfs/dbraw/zinc/52/81/09/814528109.db2.gz JIUGIQZATBIMJK-KBPBESRZSA-N 0 3 262.397 2.165 20 30 CEEDHN C=CCC(C)(C)C(=O)N1CC2(C1)CCN(CC#CC)C2 ZINC001148370636 814557541 /nfs/dbraw/zinc/55/75/41/814557541.db2.gz CJWRIORCSCUNDZ-UHFFFAOYSA-N 0 3 274.408 2.146 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)OCCC(C)C)C2)C1 ZINC001148900179 814621941 /nfs/dbraw/zinc/62/19/41/814621941.db2.gz UQRMUODTRDWRNV-HNNXBMFYSA-N 0 3 294.439 2.158 20 30 CEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C(C)(F)F)C2)CC1 ZINC001086898436 814646194 /nfs/dbraw/zinc/64/61/94/814646194.db2.gz IKWQNENVLZZDTL-ZDUSSCGKSA-N 0 3 298.377 2.368 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)CCc3ccccc3)C[C@]2(C)C1 ZINC001092219849 814695408 /nfs/dbraw/zinc/69/54/08/814695408.db2.gz IPZBEXIXQSIRRY-MJGOQNOKSA-N 0 3 296.414 2.033 20 30 CEEDHN CCN1CC[C@H]1CNc1c(C#N)cnc2ccccc21 ZINC000712547431 814765786 /nfs/dbraw/zinc/76/57/86/814765786.db2.gz LHYHHSPFHQHLTA-ZDUSSCGKSA-N 0 3 266.348 2.034 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2csc(Cl)c2)[C@H](C)C1 ZINC001093025149 814841177 /nfs/dbraw/zinc/84/11/77/814841177.db2.gz SRAMTPDTUFRTFB-ZYHUDNBSSA-N 0 3 296.823 2.332 20 30 CEEDHN C=CCN1CC[C@H](N2CCC(CCC)CC2)C1=O ZINC001116918135 814891975 /nfs/dbraw/zinc/89/19/75/814891975.db2.gz VFEQLSTXTDTHCV-AWEZNQCLSA-N 0 3 250.386 2.285 20 30 CEEDHN C/C(=C/C(=O)NCCNCc1ccc(C#N)cc1)C1CC1 ZINC001124217011 815604934 /nfs/dbraw/zinc/60/49/34/815604934.db2.gz IPDYQFDOJOMCEW-RAXLEYEMSA-N 0 3 283.375 2.120 20 30 CEEDHN CC/C=C(\C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001124343388 815609762 /nfs/dbraw/zinc/60/97/62/815609762.db2.gz BYIJBGWAKSGBLC-YIXHJXPBSA-N 0 3 271.364 2.120 20 30 CEEDHN CC1(C)CN(C2CN(C3CCC(CC#N)CC3)C2)CCO1 ZINC001173337850 815682769 /nfs/dbraw/zinc/68/27/69/815682769.db2.gz UHRXWDUYWQGJLB-UHFFFAOYSA-N 0 3 291.439 2.254 20 30 CEEDHN C=CCOC1CCC(N[C@@H](C(N)=O)c2ccccc2)CC1 ZINC001173317332 815691610 /nfs/dbraw/zinc/69/16/10/815691610.db2.gz FPELDHWZVGEJQB-UYSNPLJNSA-N 0 3 288.391 2.316 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)cc1)C2 ZINC001095106332 815693575 /nfs/dbraw/zinc/69/35/75/815693575.db2.gz LDHZQWVNGPNETC-PMPSAXMXSA-N 0 3 286.350 2.184 20 30 CEEDHN C=CCOC1CCC(N2CC[C@@](C)(O)[C@@H](F)C2)CC1 ZINC001173320153 815693590 /nfs/dbraw/zinc/69/35/90/815693590.db2.gz BTJYCEABDLIZST-PFSRBDOWSA-N 0 3 271.376 2.295 20 30 CEEDHN C=CCc1cccc(C[NH+]2CC(C3COC3)C2)c1[O-] ZINC001138625006 815846715 /nfs/dbraw/zinc/84/67/15/815846715.db2.gz XJFGBVXWQOWQEO-UHFFFAOYSA-N 0 3 259.349 2.199 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CCCN(C(C)=O)CC2)c1[O-] ZINC001138624492 815846780 /nfs/dbraw/zinc/84/67/80/815846780.db2.gz MIWNYYVPKQECRT-UHFFFAOYSA-N 0 3 288.391 2.175 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CCCN(C(C)=O)CC2)c1[O-] ZINC001138624492 815846791 /nfs/dbraw/zinc/84/67/91/815846791.db2.gz MIWNYYVPKQECRT-UHFFFAOYSA-N 0 3 288.391 2.175 20 30 CEEDHN CCCn1ncc(CN2CCC(S)CC2)c1C ZINC001138637856 815853344 /nfs/dbraw/zinc/85/33/44/815853344.db2.gz ASHZBZYCFVVPLM-UHFFFAOYSA-N 0 3 253.415 2.496 20 30 CEEDHN C=C(C)COc1ccccc1CN(C)CCC(=O)NC ZINC001138664142 815865438 /nfs/dbraw/zinc/86/54/38/815865438.db2.gz JZPQGRRIWKEDNI-UHFFFAOYSA-N 0 3 276.380 2.209 20 30 CEEDHN C=CCOc1ccccc1CN(C)CCC(=O)N(C)C ZINC001139030302 815947070 /nfs/dbraw/zinc/94/70/70/815947070.db2.gz IWTWQLZWHUIFDW-UHFFFAOYSA-N 0 3 276.380 2.162 20 30 CEEDHN CCC1(CN2CCc3ccc(C#N)cc3C2)COC1 ZINC001202926775 816013009 /nfs/dbraw/zinc/01/30/09/816013009.db2.gz KZBIOIWGXSHEBR-UHFFFAOYSA-N 0 3 256.349 2.343 20 30 CEEDHN Cc1cnccc1Nc1nc2ncccc2cc1C#N ZINC001174536068 816022436 /nfs/dbraw/zinc/02/24/36/816022436.db2.gz KCELKMDRDPPEDG-UHFFFAOYSA-N 0 3 261.288 2.370 20 30 CEEDHN C=CCCN(Cc1ccccc1)CC1C(=O)N=CNC1=O ZINC001140475338 816264549 /nfs/dbraw/zinc/26/45/49/816264549.db2.gz GHGZIFIZSLDVJY-UHFFFAOYSA-N 0 3 285.347 2.466 20 30 CEEDHN COc1ccc(CN2CCC[C@@H](CC#N)C2)cc1N ZINC001140899635 816406175 /nfs/dbraw/zinc/40/61/75/816406175.db2.gz WHDANIPEZXHSIE-LBPRGKRZSA-N 0 3 259.353 2.403 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cnc(CC)s1 ZINC001177295975 816538876 /nfs/dbraw/zinc/53/88/76/816538876.db2.gz BPISSFCIJALWDQ-UHFFFAOYSA-N 0 3 287.816 2.168 20 30 CEEDHN CC(=O)N[C@@H]1CCCN(Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142921083 816756692 /nfs/dbraw/zinc/75/66/92/816756692.db2.gz GDAHDBMCIWRLGG-OAHLLOKOSA-N 0 3 296.374 2.140 20 30 CEEDHN N#CCC1CCN(Cc2ccc3nccn3c2)CC1 ZINC001143029436 816776156 /nfs/dbraw/zinc/77/61/56/816776156.db2.gz ZKKORHZWNSFDNL-UHFFFAOYSA-N 0 3 254.337 2.460 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CC[C@H](NCCF)[C@@H]1C ZINC001178773529 816797236 /nfs/dbraw/zinc/79/72/36/816797236.db2.gz MBASAFDPCJYLQJ-JSGCOSHPSA-N 0 3 268.376 2.303 20 30 CEEDHN C=CCOCCCNCc1c(Cl)ncn1CC ZINC001179168747 816839405 /nfs/dbraw/zinc/83/94/05/816839405.db2.gz IUHLYTWCEMJLEY-UHFFFAOYSA-N 0 3 257.765 2.239 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000336213392 365529809 /nfs/dbraw/zinc/52/98/09/365529809.db2.gz LFTNVLXVCOZULG-WMLDXEAASA-N 0 3 289.423 2.261 20 30 CEEDHN CC(C#N)C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000336329354 365557672 /nfs/dbraw/zinc/55/76/72/365557672.db2.gz HHBYTGWQGBXULT-GFCCVEGCSA-N 0 3 291.782 2.144 20 30 CEEDHN N#Cc1ccc(CNC[C@H](O)COCc2ccccc2)cc1 ZINC000079720716 343988708 /nfs/dbraw/zinc/98/87/08/343988708.db2.gz XUXXOLZREUXBKG-SFHVURJKSA-N 0 3 296.370 2.226 20 30 CEEDHN N#CCCN1CCN(C2CCc3ccccc3CC2)CC1 ZINC000601316501 346818892 /nfs/dbraw/zinc/81/88/92/346818892.db2.gz LFUROYRKEXZLRK-UHFFFAOYSA-N 0 3 283.419 2.465 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000336581578 365673218 /nfs/dbraw/zinc/67/32/18/365673218.db2.gz MHAQLEXJWOPNBR-BXUZGUMPSA-N 0 3 286.379 2.471 20 30 CEEDHN C=CCN1CCC(Nc2nccc3nccnc32)CC1 ZINC000621264668 349542404 /nfs/dbraw/zinc/54/24/04/349542404.db2.gz KYLHXYZOGUTPBL-UHFFFAOYSA-N 0 3 269.352 2.087 20 30 CEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccccc1CC#N ZINC000601574542 346852329 /nfs/dbraw/zinc/85/23/29/346852329.db2.gz LFIVAWXXTRLYTC-HOCLYGCPSA-N 0 3 297.402 2.451 20 30 CEEDHN CC[C@@H](C)[C@H]1CCCCN1CC(=O)NC1(C#N)CCC1 ZINC000347060584 529425837 /nfs/dbraw/zinc/42/58/37/529425837.db2.gz SQWLCJILSRYXGJ-ZIAGYGMSSA-N 0 3 277.412 2.449 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000601699246 346881891 /nfs/dbraw/zinc/88/18/91/346881891.db2.gz BFOBJDDVMNLWQJ-KWQFWETISA-N 0 3 286.253 2.015 20 30 CEEDHN C=CCOCCN[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000621759555 349694567 /nfs/dbraw/zinc/69/45/67/349694567.db2.gz ZXPOVXPYOXNHCR-OAHLLOKOSA-N 0 3 274.364 2.277 20 30 CEEDHN C=CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000080621641 344017231 /nfs/dbraw/zinc/01/72/31/344017231.db2.gz OSKFCCBIEPHUET-HNNXBMFYSA-N 0 3 273.380 2.088 20 30 CEEDHN C=CCN(CC=C)C(=O)N[C@H](CC)CN1CCCC1 ZINC000675193000 539237644 /nfs/dbraw/zinc/23/76/44/539237644.db2.gz AZCHZAKZNCJTPD-CQSZACIVSA-N 0 3 265.401 2.244 20 30 CEEDHN N#Cc1ccc(CN[C@H](CO)C[C@@H](O)c2ccccc2)cc1 ZINC000269892602 190564595 /nfs/dbraw/zinc/56/45/95/190564595.db2.gz CVAZTPHBWIKBCP-ZWKOTPCHSA-N 0 3 296.370 2.132 20 30 CEEDHN N#Cc1cccc(CNCCOCC(F)(F)F)c1 ZINC000042238582 362072537 /nfs/dbraw/zinc/07/25/37/362072537.db2.gz YHDGFZRVZGBZRW-UHFFFAOYSA-N 0 3 258.243 2.227 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000127204923 365736614 /nfs/dbraw/zinc/73/66/14/365736614.db2.gz AEMGQUIEWYKCKR-OLZOCXBDSA-N 0 3 265.401 2.219 20 30 CEEDHN CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1CCCC1 ZINC000047966163 362235016 /nfs/dbraw/zinc/23/50/16/362235016.db2.gz FTTBZQZRHXEQKE-HNNXBMFYSA-N 0 3 265.401 2.305 20 30 CEEDHN C=CC1CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000127443193 365748585 /nfs/dbraw/zinc/74/85/85/365748585.db2.gz IETVUIPPEDMESN-GXTWGEPZSA-N 0 3 277.412 2.219 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](CC)C1 ZINC000048058380 343525134 /nfs/dbraw/zinc/52/51/34/343525134.db2.gz YOSWOEGQGYELRN-AWEZNQCLSA-N 0 3 250.386 2.309 20 30 CEEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccc(F)cc1 ZINC000046342257 343498043 /nfs/dbraw/zinc/49/80/43/343498043.db2.gz BVDYODXGOPJDSB-CQSZACIVSA-N 0 3 267.344 2.463 20 30 CEEDHN CCCCN(CC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000052877813 343567274 /nfs/dbraw/zinc/56/72/74/343567274.db2.gz AXPLYCODGFNWHR-CQSZACIVSA-N 0 3 253.390 2.163 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(CC#N)c3)[C@@H]2C1 ZINC000334981797 529796469 /nfs/dbraw/zinc/79/64/69/529796469.db2.gz IWFDRYATLBMBOK-GDBMZVCRSA-N 0 3 298.390 2.311 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(CC#N)c3)[C@H]2C1 ZINC000334982044 529796587 /nfs/dbraw/zinc/79/65/87/529796587.db2.gz IWFDRYATLBMBOK-ZBFHGGJFSA-N 0 3 298.390 2.311 20 30 CEEDHN C[C@@H]1CCN(CCNCc2cccc(F)c2C#N)C1 ZINC000602010886 346957718 /nfs/dbraw/zinc/95/77/18/346957718.db2.gz FIJFVUQBLXJGJM-GFCCVEGCSA-N 0 3 261.344 2.129 20 30 CEEDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(C#N)cc1 ZINC000066948336 343726582 /nfs/dbraw/zinc/72/65/82/343726582.db2.gz AWQKTBVUJKVJHD-HNNXBMFYSA-N 0 3 271.364 2.115 20 30 CEEDHN CC(=O)N(C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000068576388 343768894 /nfs/dbraw/zinc/76/88/94/343768894.db2.gz WNMXIKGGNVOZKZ-UHFFFAOYSA-N 0 3 271.364 2.001 20 30 CEEDHN CC(C)N1CCCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000068800163 343773627 /nfs/dbraw/zinc/77/36/27/343773627.db2.gz XSZWZOLLYQYOPJ-UHFFFAOYSA-N 0 3 271.364 2.115 20 30 CEEDHN CN(CC(=O)N1Cc2cccc(C#N)c2C1)CC(C)(C)C ZINC000602178721 346989017 /nfs/dbraw/zinc/98/90/17/346989017.db2.gz VYIMPYVXAVTZFP-UHFFFAOYSA-N 0 3 285.391 2.378 20 30 CEEDHN CC(C)CCN1CCN(c2ncccc2C#N)CC1 ZINC000078341888 343948005 /nfs/dbraw/zinc/94/80/05/343948005.db2.gz DAEJLZFJQPVEGW-UHFFFAOYSA-N 0 3 258.369 2.121 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)nc2)CC1 ZINC000127094645 187282283 /nfs/dbraw/zinc/28/22/83/187282283.db2.gz CEHQJAWGJHHFMO-UHFFFAOYSA-N 0 3 292.358 2.383 20 30 CEEDHN COCC[C@H](C)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000088494555 344110273 /nfs/dbraw/zinc/11/02/73/344110273.db2.gz BMOWVYSDCSVGPD-ZDUSSCGKSA-N 0 3 291.370 2.244 20 30 CEEDHN C=CCNC(=O)CN(C)[C@@H](CC)Cc1ccccc1 ZINC000128672299 365800713 /nfs/dbraw/zinc/80/07/13/365800713.db2.gz RCZWMCZMSYNROA-HNNXBMFYSA-N 0 3 260.381 2.242 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CCCSC)CC1 ZINC000134862522 344378062 /nfs/dbraw/zinc/37/80/62/344378062.db2.gz CKKKAJHSOLGVPS-UHFFFAOYSA-N 0 3 270.442 2.286 20 30 CEEDHN COc1ccc(CN(CCCCO)C2CC2)cc1C#N ZINC000135096879 344380089 /nfs/dbraw/zinc/38/00/89/344380089.db2.gz IWVGMNXKBCZILB-UHFFFAOYSA-N 0 3 274.364 2.304 20 30 CEEDHN C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)C(C)(C)C ZINC000156905227 344444174 /nfs/dbraw/zinc/44/41/74/344444174.db2.gz RMBOLLYUKNTIAE-GFCCVEGCSA-N 0 3 294.420 2.356 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCN(C)C(C)(C)C1 ZINC000165482134 344474383 /nfs/dbraw/zinc/47/43/83/344474383.db2.gz ORZMLPGOPROLHI-UHFFFAOYSA-N 0 3 257.381 2.393 20 30 CEEDHN N#CCN1CCN(CC2C3CC4CC(C3)CC2C4)CC1 ZINC000216362305 344534906 /nfs/dbraw/zinc/53/49/06/344534906.db2.gz UHIIQTIYXLRPKF-UHFFFAOYSA-N 0 3 273.424 2.200 20 30 CEEDHN N#Cc1ccc(OCCN2CCC[C@@H](CCO)C2)cc1 ZINC000051895862 362445865 /nfs/dbraw/zinc/44/58/65/362445865.db2.gz QXMMVVRILDZPDW-HNNXBMFYSA-N 0 3 274.364 2.031 20 30 CEEDHN CC[C@H]1CN(C)CCCN1C(=O)Cc1ccc(C#N)cc1 ZINC000234113404 344583480 /nfs/dbraw/zinc/58/34/80/344583480.db2.gz AYVNOKCOLZVRCJ-INIZCTEOSA-N 0 3 285.391 2.043 20 30 CEEDHN C#CCCN1CCN(CCCc2ccccc2)CC1 ZINC000127254790 187291790 /nfs/dbraw/zinc/29/17/90/187291790.db2.gz JSBPUGGEWMMXDQ-UHFFFAOYSA-N 0 3 256.393 2.260 20 30 CEEDHN CN(C)[C@H](CNCc1cccc(C#N)n1)c1ccc(F)cc1 ZINC000602518821 347064363 /nfs/dbraw/zinc/06/43/63/347064363.db2.gz UCOKOTRQSMSCHH-QGZVFWFLSA-N 0 3 298.365 2.485 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(O)ccc2Cl)CC1 ZINC000290156171 344683006 /nfs/dbraw/zinc/68/30/06/344683006.db2.gz CVOLYDHFNXLKKL-UHFFFAOYSA-N 0 3 294.782 2.426 20 30 CEEDHN CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)[C@@H](N)CCCC#N ZINC000602535865 347069664 /nfs/dbraw/zinc/06/96/64/347069664.db2.gz ZNYXEMGQKZDDIP-KKUMJFAQSA-N 0 3 285.391 2.316 20 30 CEEDHN C=CCCSCCNC(=O)[C@@H](N)CCC(C)C ZINC000602524233 347065999 /nfs/dbraw/zinc/06/59/99/347065999.db2.gz CSHKKBHLAGSGAY-LBPRGKRZSA-N 0 3 258.431 2.175 20 30 CEEDHN CC[C@H](N)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000602525640 347066811 /nfs/dbraw/zinc/06/68/11/347066811.db2.gz BKKPWAWTNBFZLP-HNNXBMFYSA-N 0 3 273.380 2.280 20 30 CEEDHN CC(C)(C#N)CCN[C@]1(CO)CCc2ccccc21 ZINC000305788725 344710859 /nfs/dbraw/zinc/71/08/59/344710859.db2.gz SQGUWVVOOCVASD-INIZCTEOSA-N 0 3 258.365 2.350 20 30 CEEDHN CN[C@@H](C)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000602527913 347067719 /nfs/dbraw/zinc/06/77/19/347067719.db2.gz JPJPYNZHMRXUBF-ZDUSSCGKSA-N 0 3 273.380 2.151 20 30 CEEDHN C=CCOCCCN1CCN(CC(F)F)[C@H](CC)C1 ZINC000348022437 344776393 /nfs/dbraw/zinc/77/63/93/344776393.db2.gz ATRPGQDEBCYYTF-CYBMUJFWSA-N 0 3 276.371 2.240 20 30 CEEDHN CN1CCC(NC(=O)Nc2nccn2-c2ccccc2)CC1 ZINC000330231792 530047624 /nfs/dbraw/zinc/04/76/24/530047624.db2.gz FFJNFNXOTOIVAA-UHFFFAOYSA-N 0 3 299.378 2.292 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccccn1)C1CCC1 ZINC000602542767 347070820 /nfs/dbraw/zinc/07/08/20/347070820.db2.gz XBUGGPSMINUFRG-HIFRSBDPSA-N 0 3 286.379 2.060 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCC[C@@H]3OCC[C@H]32)n1 ZINC000602565274 347080195 /nfs/dbraw/zinc/08/01/95/347080195.db2.gz DVPJGHPZYOGNSF-ZNMIVQPWSA-N 0 3 257.337 2.000 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@H](c2ccsc2)C[C@H]1C ZINC000364763493 344812214 /nfs/dbraw/zinc/81/22/14/344812214.db2.gz ZRBOFUZDYSUJIB-MBNYWOFBSA-N 0 3 276.405 2.064 20 30 CEEDHN C[C@H](CNCc1cccc(C#N)n1)c1ccncc1 ZINC000602562173 347078167 /nfs/dbraw/zinc/07/81/67/347078167.db2.gz IBWSKRUSRKHIQZ-GFCCVEGCSA-N 0 3 252.321 2.242 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](N)CCCC#N ZINC000424061989 344896753 /nfs/dbraw/zinc/89/67/53/344896753.db2.gz FTSAFCKUHGFZIR-ZDUSSCGKSA-N 0 3 277.393 2.284 20 30 CEEDHN CCN(C(=O)[C@H](N)CCCC#N)c1ccc(F)cc1 ZINC000424062629 344896838 /nfs/dbraw/zinc/89/68/38/344896838.db2.gz HIDOHWYBEZRYFR-CYBMUJFWSA-N 0 3 263.316 2.200 20 30 CEEDHN C#C[C@H](CC)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000491147279 344909669 /nfs/dbraw/zinc/90/96/69/344909669.db2.gz QWCSLTKPNFDGMM-CYBMUJFWSA-N 0 3 289.379 2.160 20 30 CEEDHN C=CCCCCN1CCN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC000563127928 344940625 /nfs/dbraw/zinc/94/06/25/344940625.db2.gz OUINNZAJELZOLP-CQSZACIVSA-N 0 3 290.411 2.221 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1cccc(O)c1OC ZINC000576152272 344950689 /nfs/dbraw/zinc/95/06/89/344950689.db2.gz WOLBLRJNIYPERE-FZMZJTMJSA-N 0 3 263.337 2.082 20 30 CEEDHN CCN(CCNC(=O)CCCCCC#N)C1CC1 ZINC000588339826 345046350 /nfs/dbraw/zinc/04/63/50/345046350.db2.gz QSRYRPQGUHCHGN-UHFFFAOYSA-N 0 3 251.374 2.061 20 30 CEEDHN Cc1cc(C#N)ccc1CN1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000586779361 345021347 /nfs/dbraw/zinc/02/13/47/345021347.db2.gz KQGOVHPKKSHBKA-YJBOKZPZSA-N 0 3 299.418 2.162 20 30 CEEDHN N#CCCOCCN1CCC2(CC1)OCc1ccccc12 ZINC000590162542 345118811 /nfs/dbraw/zinc/11/88/11/345118811.db2.gz HWKOKQWRWBVFEC-UHFFFAOYSA-N 0 3 286.375 2.438 20 30 CEEDHN N#C[C@H]1CC[C@@H](N2CCc3ccc(O)cc3CC2)C1 ZINC000590165350 345119488 /nfs/dbraw/zinc/11/94/88/345119488.db2.gz QBTIBVJECYBLCH-SWLSCSKDSA-N 0 3 256.349 2.485 20 30 CEEDHN CCN1C[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)CC1=O ZINC000590779356 345180326 /nfs/dbraw/zinc/18/03/26/345180326.db2.gz YZVWNWGGSUJOJW-GDBMZVCRSA-N 0 3 283.375 2.146 20 30 CEEDHN N#Cc1cscc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000590346093 345130510 /nfs/dbraw/zinc/13/05/10/345130510.db2.gz HWUKYFBVAFPNDH-CYBMUJFWSA-N 0 3 289.404 2.366 20 30 CEEDHN C[C@@H](C(=O)NCC1(C#N)CCC1)N1CCCCCC1 ZINC000591323085 345240614 /nfs/dbraw/zinc/24/06/14/345240614.db2.gz QQNNGDDFDZAUST-ZDUSSCGKSA-N 0 3 263.385 2.061 20 30 CEEDHN CN(C)C1(CNc2cc(C#N)nc3ccccc32)CC1 ZINC000591370554 345245333 /nfs/dbraw/zinc/24/53/33/345245333.db2.gz CRJNMNLKOGMKHI-UHFFFAOYSA-N 0 3 266.348 2.034 20 30 CEEDHN CC(=O)NC1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000591012302 345211311 /nfs/dbraw/zinc/21/13/11/345211311.db2.gz NUNJMJBFFWTHSZ-UHFFFAOYSA-N 0 3 277.412 2.451 20 30 CEEDHN CCCN(C(=O)NCC(C)(C)CCC#N)[C@H]1CCN(C)C1 ZINC000592022171 345315466 /nfs/dbraw/zinc/31/54/66/345315466.db2.gz UQOQXPGZCSZILL-AWEZNQCLSA-N 0 3 294.443 2.442 20 30 CEEDHN C=C(C)[C@H](CO)N1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000591477340 345260414 /nfs/dbraw/zinc/26/04/14/345260414.db2.gz DIJRSGVOIQPAEX-MJBXVCDLSA-N 0 3 283.412 2.223 20 30 CEEDHN CC[C@@H](NCc1ccncc1C#N)C1CCOCC1 ZINC000592096697 345321199 /nfs/dbraw/zinc/32/11/99/345321199.db2.gz CCBMGLMHMLFCHF-OAHLLOKOSA-N 0 3 259.353 2.248 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NC1(c2ccc(F)cc2)CCC1 ZINC000591602921 345268843 /nfs/dbraw/zinc/26/88/43/345268843.db2.gz GNEJZSXSTLAGDC-AWEZNQCLSA-N 0 3 289.354 2.342 20 30 CEEDHN CC(C)COC[C@H](O)CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000591763968 345278559 /nfs/dbraw/zinc/27/85/59/345278559.db2.gz UJXXGOWUCARPNU-NVXWUHKLSA-N 0 3 288.391 2.169 20 30 CEEDHN CN1C[C@@H]2CCCN(C(=O)CCCCCC#N)[C@@H]2C1 ZINC000591803809 345282450 /nfs/dbraw/zinc/28/24/50/345282450.db2.gz FGNQAUMXQZJKGX-UONOGXRCSA-N 0 3 263.385 2.013 20 30 CEEDHN CN(Cc1ccccc1)[C@@H]1CCN(c2ncncc2C#N)C1 ZINC000591917623 345299329 /nfs/dbraw/zinc/29/93/29/345299329.db2.gz ZHERACJFFTZMSJ-MRXNPFEDSA-N 0 3 293.374 2.059 20 30 CEEDHN CC(C)N(C)c1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000592283899 345341812 /nfs/dbraw/zinc/34/18/12/345341812.db2.gz HJGALUQPGYBXAJ-CYBMUJFWSA-N 0 3 288.395 2.491 20 30 CEEDHN N#CCC1(CNCc2ccnn2-c2ccccn2)CC1 ZINC000592367462 345347026 /nfs/dbraw/zinc/34/70/26/345347026.db2.gz WCMTZOKDTDYUSQ-UHFFFAOYSA-N 0 3 267.336 2.051 20 30 CEEDHN N#CC[C@@]1(O)CCN(Cc2ccc(C3CC3)cc2)C1 ZINC000592526417 345367441 /nfs/dbraw/zinc/36/74/41/345367441.db2.gz YNOFNZFJBYIWRC-MRXNPFEDSA-N 0 3 256.349 2.414 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N(C)CCC(C)(C)C ZINC000592144186 345328300 /nfs/dbraw/zinc/32/83/00/345328300.db2.gz BJGVEQSEQWDCSL-LBPRGKRZSA-N 0 3 253.390 2.115 20 30 CEEDHN N#CC[C@@]1(O)CCN(CCCOc2ccc(Cl)cc2)C1 ZINC000592148703 345330285 /nfs/dbraw/zinc/33/02/85/345330285.db2.gz ZNLURLAHLYHRNF-OAHLLOKOSA-N 0 3 294.782 2.459 20 30 CEEDHN Cc1ccccc1CCCN1CC[C@](O)(CC#N)C1 ZINC000592150584 345330300 /nfs/dbraw/zinc/33/03/00/345330300.db2.gz GYXCDWBPBHTTTO-MRXNPFEDSA-N 0 3 258.365 2.278 20 30 CEEDHN CC(C)[C@H](O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305804101 201811426 /nfs/dbraw/zinc/81/14/26/201811426.db2.gz FSFQERCSPKBCGW-QMTHXVAHSA-N 0 3 250.317 2.365 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC([C@H](C)CO)CC1 ZINC000593082734 345435172 /nfs/dbraw/zinc/43/51/72/345435172.db2.gz KJMVVZJWYNMBQH-CYBMUJFWSA-N 0 3 288.391 2.407 20 30 CEEDHN CN(C)C1(CN(C)C(=O)c2ccc(C#N)cc2)CCC1 ZINC000097932579 232189983 /nfs/dbraw/zinc/18/99/83/232189983.db2.gz ASVPOPAHRGBPKO-UHFFFAOYSA-N 0 3 271.364 2.115 20 30 CEEDHN CN1CCC(CC(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000592824562 345400519 /nfs/dbraw/zinc/40/05/19/345400519.db2.gz QUIHXSVXKVLPJT-UHFFFAOYSA-N 0 3 285.391 2.101 20 30 CEEDHN Cc1ccc(CN(CC2CC2)C(=O)C(C)C#N)cn1 ZINC000592831201 345401789 /nfs/dbraw/zinc/40/17/89/345401789.db2.gz LILONDSEWDNYAH-LLVKDONJSA-N 0 3 257.337 2.288 20 30 CEEDHN CC[C@H](C#N)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000593464514 345491935 /nfs/dbraw/zinc/49/19/35/345491935.db2.gz KVAIOHYMTHVNOF-CYBMUJFWSA-N 0 3 289.379 2.252 20 30 CEEDHN N#CCCCCNCc1cnnn1-c1ccccc1 ZINC000593595702 345510803 /nfs/dbraw/zinc/51/08/03/345510803.db2.gz RXRSYFLCKXHQAY-UHFFFAOYSA-N 0 3 255.325 2.051 20 30 CEEDHN CC[C@H](C#N)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000593402799 345477315 /nfs/dbraw/zinc/47/73/15/345477315.db2.gz COAFVEDXAOFMDT-GFCCVEGCSA-N 0 3 275.352 2.245 20 30 CEEDHN C[C@@H](C(=O)NCC1(C#N)CCCC1)N1[C@H](C)CC[C@@H]1C ZINC000593778126 345536320 /nfs/dbraw/zinc/53/63/20/345536320.db2.gz LRGCLIBILDNQGB-MJBXVCDLSA-N 0 3 277.412 2.448 20 30 CEEDHN CC[C@H](OCCNC(=O)C(C)C#N)c1ccccc1 ZINC000593787272 345538637 /nfs/dbraw/zinc/53/86/37/345538637.db2.gz QMMOARMPMAUPIM-JSGCOSHPSA-N 0 3 260.337 2.430 20 30 CEEDHN CCC(C#N)C(=O)NC1(CC(=O)OC(C)(C)C)CCC1 ZINC000593810390 345542421 /nfs/dbraw/zinc/54/24/21/345542421.db2.gz HWZAZUGUZPKDHE-NSHDSACASA-N 0 3 280.368 2.307 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)c1cccc(F)c1C#N ZINC000593881846 345547848 /nfs/dbraw/zinc/54/78/48/345547848.db2.gz DIYPKZCDLJCGGT-UHFFFAOYSA-N 0 3 289.354 2.255 20 30 CEEDHN CC[C@@H](NCc1ccc(C#N)cn1)[C@@H]1CCCCO1 ZINC000594039662 345571263 /nfs/dbraw/zinc/57/12/63/345571263.db2.gz BKIHLPXDNYJKJY-CABCVRRESA-N 0 3 259.353 2.391 20 30 CEEDHN CO[C@@]1(CNCc2ccc(C(C)(C)C#N)cc2)CCOC1 ZINC000594500326 345639119 /nfs/dbraw/zinc/63/91/19/345639119.db2.gz NWCLZUXPVXHAHD-QGZVFWFLSA-N 0 3 288.391 2.383 20 30 CEEDHN C[C@H](NC(=O)CN1CC[C@H](C)C1)c1cccc(C#N)c1 ZINC000594303851 345610466 /nfs/dbraw/zinc/61/04/66/345610466.db2.gz JYDQJDPXABGDAP-STQMWFEESA-N 0 3 271.364 2.077 20 30 CEEDHN C[C@@H]1CN(C(=O)CCCCC#N)CCN(C2CCC2)C1 ZINC000594363262 345616625 /nfs/dbraw/zinc/61/66/25/345616625.db2.gz PNHWISIIMLERHL-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN CC(C#N)C(=O)N1CCC(c2ccc3cccnc3n2)CC1 ZINC000594397434 345620800 /nfs/dbraw/zinc/62/08/00/345620800.db2.gz HZPJGFZABSAKLJ-LBPRGKRZSA-N 0 3 294.358 2.495 20 30 CEEDHN Cc1ncncc1[C@@H](C)NCCOc1ccc(C#N)cc1 ZINC000594497811 345638459 /nfs/dbraw/zinc/63/84/59/345638459.db2.gz HCRIBDCFHYJTPM-GFCCVEGCSA-N 0 3 282.347 2.386 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H](N)CCCCC#N ZINC000594425677 345625791 /nfs/dbraw/zinc/62/57/91/345625791.db2.gz LWACDNMUVJJILV-UPJWGTAASA-N 0 3 251.374 2.187 20 30 CEEDHN COc1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594425685 345625861 /nfs/dbraw/zinc/62/58/61/345625861.db2.gz LZGRKEBEYLJUIV-CYBMUJFWSA-N 0 3 261.325 2.045 20 30 CEEDHN COc1cccc(CN(C)C(=O)[C@@H](N)CCCCC#N)c1 ZINC000594425309 345625936 /nfs/dbraw/zinc/62/59/36/345625936.db2.gz HJDIDDMQKDOMRZ-HNNXBMFYSA-N 0 3 289.379 2.065 20 30 CEEDHN C[C@@H]1CCC[C@H](N(C)C(=O)[C@H](N)CCCCC#N)C1 ZINC000594427297 345626367 /nfs/dbraw/zinc/62/63/67/345626367.db2.gz IFCFAHBUDRIMLR-HZSPNIEDSA-N 0 3 265.401 2.435 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCc2sccc2C1 ZINC000594427160 345626481 /nfs/dbraw/zinc/62/64/81/345626481.db2.gz GKFBGISVSBZTBL-GFCCVEGCSA-N 0 3 277.393 2.044 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC1CCCCCC1 ZINC000594428004 345627055 /nfs/dbraw/zinc/62/70/55/345627055.db2.gz YUXLZLXZEJPQCZ-ZDUSSCGKSA-N 0 3 251.374 2.237 20 30 CEEDHN CN(CCc1ccc(F)cc1)C(=O)[C@H](N)CCCCC#N ZINC000594428120 345627342 /nfs/dbraw/zinc/62/73/42/345627342.db2.gz JVSCGYOGWTXYCM-OAHLLOKOSA-N 0 3 291.370 2.238 20 30 CEEDHN CCC1CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594429575 345627889 /nfs/dbraw/zinc/62/78/89/345627889.db2.gz UKUYJFQKWRCOKM-CYBMUJFWSA-N 0 3 251.374 2.046 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCc1c(F)cccc1F ZINC000594430176 345628679 /nfs/dbraw/zinc/62/86/79/345628679.db2.gz ZWHFZXNXXIBBCV-AWEZNQCLSA-N 0 3 295.333 2.035 20 30 CEEDHN CCC1(CC)CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594434889 345629952 /nfs/dbraw/zinc/62/99/52/345629952.db2.gz VURXYUYMYQREJU-ZDUSSCGKSA-N 0 3 265.401 2.436 20 30 CEEDHN Cc1csc([C@@H](C)NC(=O)[C@@H](N)CCCCC#N)n1 ZINC000594437502 345630798 /nfs/dbraw/zinc/63/07/98/345630798.db2.gz JVBBNCJBRRHBRI-MNOVXSKESA-N 0 3 280.397 2.040 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC1(c2ccccc2)CC1 ZINC000594438546 345630840 /nfs/dbraw/zinc/63/08/40/345630840.db2.gz OLSYDCZASXXPJE-AWEZNQCLSA-N 0 3 271.364 2.203 20 30 CEEDHN CC[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccncc1 ZINC000594438164 345630851 /nfs/dbraw/zinc/63/08/51/345630851.db2.gz MTDOIQBXMTWOIY-ZIAGYGMSSA-N 0 3 274.368 2.060 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000594440275 345631339 /nfs/dbraw/zinc/63/13/39/345631339.db2.gz BKSADSUFIYJFGT-HNNXBMFYSA-N 0 3 297.362 2.222 20 30 CEEDHN CC[C@H](NC(=O)[C@@H](N)CCCCC#N)c1nccs1 ZINC000594440099 345631439 /nfs/dbraw/zinc/63/14/39/345631439.db2.gz ZKWJGCOOMXCUGO-QWRGUYRKSA-N 0 3 280.397 2.122 20 30 CEEDHN CC1(C)CCC[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594442999 345631949 /nfs/dbraw/zinc/63/19/49/345631949.db2.gz FODIZSCPFZHSGV-NEPJUHHUSA-N 0 3 251.374 2.093 20 30 CEEDHN CCCc1csc(NC(=O)[C@@H](N)CCCCC#N)n1 ZINC000594443081 345632175 /nfs/dbraw/zinc/63/21/75/345632175.db2.gz KXLCWNCSFQUKKN-NSHDSACASA-N 0 3 280.397 2.445 20 30 CEEDHN CO[C@]1(C)C[C@@H](N(C)C(=O)[C@@H](N)CCCCC#N)C1(C)C ZINC000594446235 345632556 /nfs/dbraw/zinc/63/25/56/345632556.db2.gz QJRABHKCXDCBIP-WOSRLPQWSA-N 0 3 295.427 2.060 20 30 CEEDHN N#Cc1ccc(C2(NC(=O)[C@H](N)CC(F)F)CCC2)cc1 ZINC000594450574 345634400 /nfs/dbraw/zinc/63/44/00/345634400.db2.gz RQOKKDXUKNDXIX-GFCCVEGCSA-N 0 3 293.317 2.036 20 30 CEEDHN CCC[C@@H](N)c1cn(Cc2ccc(C#N)cc2F)nn1 ZINC000594650280 345666649 /nfs/dbraw/zinc/66/66/49/345666649.db2.gz RWTTXNURSRKOEA-CYBMUJFWSA-N 0 3 273.315 2.137 20 30 CEEDHN C[S@@](=O)C1(CNCc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594524069 345643669 /nfs/dbraw/zinc/64/36/69/345643669.db2.gz NSHWWGOLOWRNEY-HXUWFJFHSA-N 0 3 290.432 2.488 20 30 CEEDHN C[C@]1(CCN[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1(F)F ZINC000594733126 345680990 /nfs/dbraw/zinc/68/09/90/345680990.db2.gz YERWSGUCKZNZFJ-OCCSQVGLSA-N 0 3 293.317 2.110 20 30 CEEDHN N#Cc1cccc2c1CN(C(=O)C1(N)CC3(CCC3)C1)C2 ZINC000595249697 345747706 /nfs/dbraw/zinc/74/77/06/345747706.db2.gz IGHDIFQEORGXOI-UHFFFAOYSA-N 0 3 281.359 2.062 20 30 CEEDHN CNCc1cccc(NC(=O)CC2(C#N)CCOCC2)c1 ZINC000595252644 345748434 /nfs/dbraw/zinc/74/84/34/345748434.db2.gz DDKJFCQZBGNBHO-UHFFFAOYSA-N 0 3 287.363 2.055 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CC[C@H](C2CCCCC2)C1 ZINC000595255919 345749416 /nfs/dbraw/zinc/74/94/16/345749416.db2.gz FTPGZIBAJPJOIC-GJZGRUSLSA-N 0 3 277.412 2.436 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCC(F)(F)c1cccc(F)c1 ZINC000595255578 345749599 /nfs/dbraw/zinc/74/95/99/345749599.db2.gz FQPXXMRVQPVFHN-LBPRGKRZSA-N 0 3 299.296 2.055 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC(c2ccco2)CC1 ZINC000595255596 345749622 /nfs/dbraw/zinc/74/96/22/345749622.db2.gz GCNHDYAPBUXVNP-ZDUSSCGKSA-N 0 3 275.352 2.007 20 30 CEEDHN N#Cc1cccnc1N1CCN(CC2CC=CC2)CC1 ZINC000595287603 345754291 /nfs/dbraw/zinc/75/42/91/345754291.db2.gz KQYIQXKCGWKSSZ-UHFFFAOYSA-N 0 3 268.364 2.041 20 30 CEEDHN N#CC1(c2ccc(CNCCn3ccnc3)cc2)CC1 ZINC000594919165 345701269 /nfs/dbraw/zinc/70/12/69/345701269.db2.gz PKQFVASTXOYWLD-UHFFFAOYSA-N 0 3 266.348 2.228 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNCc1cnc2ccc(C#N)cn12 ZINC000594959349 345716496 /nfs/dbraw/zinc/71/64/96/345716496.db2.gz CLPZWSBRGPJQJJ-CQSZACIVSA-N 0 3 297.406 2.168 20 30 CEEDHN C=CCCSCCNCc1c(C)nnn1CC ZINC000594969086 345719799 /nfs/dbraw/zinc/71/97/99/345719799.db2.gz WASFABFTXHFPPC-UHFFFAOYSA-N 0 3 254.403 2.005 20 30 CEEDHN N#Cc1csc(CNCC(O)(C2CC2)C2CC2)c1 ZINC000594981887 345721232 /nfs/dbraw/zinc/72/12/32/345721232.db2.gz BTEFTQDQXCQGGI-UHFFFAOYSA-N 0 3 262.378 2.260 20 30 CEEDHN CO[C@H](CN[C@H]1CCc2ccc(C#N)cc21)[C@H]1CCOC1 ZINC000595059760 345736661 /nfs/dbraw/zinc/73/66/61/345736661.db2.gz IHPZYULBSGAKRB-BHYGNILZSA-N 0 3 286.375 2.187 20 30 CEEDHN CC(=O)NCc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000595059998 345736884 /nfs/dbraw/zinc/73/68/84/345736884.db2.gz JXSBXBWFUCETFF-JKSUJKDBSA-N 0 3 271.364 2.105 20 30 CEEDHN C=CCCSCCNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000595551233 345810113 /nfs/dbraw/zinc/81/01/13/345810113.db2.gz GVHZRIKGSRUSGN-STQMWFEESA-N 0 3 285.457 2.078 20 30 CEEDHN C[C@@H]1[C@H](C)N(C)CCN1CCc1ccc(C#N)cc1 ZINC000595410892 345775854 /nfs/dbraw/zinc/77/58/54/345775854.db2.gz UHIGZGLWVUDIAK-UONOGXRCSA-N 0 3 257.381 2.125 20 30 CEEDHN C=CCCSCCNC(=O)N(C)CC1CCN(C)CC1 ZINC000595726686 345861197 /nfs/dbraw/zinc/86/11/97/345861197.db2.gz YJRAZQLVJGAGNQ-UHFFFAOYSA-N 0 3 299.484 2.279 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC[C@@H]1CCCC12CC2 ZINC000602581833 347087786 /nfs/dbraw/zinc/08/77/86/347087786.db2.gz KARWJWULYUTNAS-STQMWFEESA-N 0 3 263.385 2.094 20 30 CEEDHN CCOC(=O)CCCCN1CCC[C@H](CC#N)C1 ZINC000595613368 345826538 /nfs/dbraw/zinc/82/65/38/345826538.db2.gz CCHXIPABYXSNAZ-CYBMUJFWSA-N 0 3 252.358 2.345 20 30 CEEDHN C[C@H]1CCCN1C(=O)CCN1CCC[C@@H](CC#N)C1 ZINC000595615119 345828135 /nfs/dbraw/zinc/82/81/35/345828135.db2.gz PADUVNWEKDZDSJ-KBPBESRZSA-N 0 3 263.385 2.013 20 30 CEEDHN C=CCN(Cc1ccc(C(=O)OC)cc1)[C@H](C)COC ZINC000595645816 345836884 /nfs/dbraw/zinc/83/68/84/345836884.db2.gz HVTILJMFTKBTOX-CYBMUJFWSA-N 0 3 277.364 2.496 20 30 CEEDHN C=CC[C@H]1CCCN(CC(=O)NC(=O)NC2CCCC2)C1 ZINC000595657726 345840481 /nfs/dbraw/zinc/84/04/81/345840481.db2.gz BEUXVIRAAQUQIG-ZDUSSCGKSA-N 0 3 293.411 2.043 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H](CN3CCCC3=O)C2)cc1 ZINC000595831252 345889616 /nfs/dbraw/zinc/88/96/16/345889616.db2.gz ZORMLZKBJBXJGA-MRXNPFEDSA-N 0 3 283.375 2.003 20 30 CEEDHN N#Cc1cccc(OCCN2CCC[C@](O)(C3CC3)C2)c1 ZINC000595750226 345865523 /nfs/dbraw/zinc/86/55/23/345865523.db2.gz JZXJRQDVYOSFBC-QGZVFWFLSA-N 0 3 286.375 2.174 20 30 CEEDHN CC[C@H]([NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N)C1CC1 ZINC000595764809 345870096 /nfs/dbraw/zinc/87/00/96/345870096.db2.gz DCVOQEFQSUCNPH-ZDUSSCGKSA-N 0 3 275.352 2.485 20 30 CEEDHN C=CCN(CC(=O)N[C@](C)(C#N)C1CC1)C(C)(C)C ZINC000595762624 345870633 /nfs/dbraw/zinc/87/06/33/345870633.db2.gz CDGUCOSUDWWJOV-OAHLLOKOSA-N 0 3 263.385 2.081 20 30 CEEDHN N#Cc1cccc(C2(NC[C@H]3CCCO3)CCOCC2)c1 ZINC000595771633 345872511 /nfs/dbraw/zinc/87/25/11/345872511.db2.gz AHVNRZBKFVWYKP-MRXNPFEDSA-N 0 3 286.375 2.333 20 30 CEEDHN Cn1cc(C[C@@H]2CCC[C@@H]2NCC2(C#N)CCC2)cn1 ZINC000595771980 345872626 /nfs/dbraw/zinc/87/26/26/345872626.db2.gz RHGNSYCEZDKFHS-GJZGRUSLSA-N 0 3 272.396 2.415 20 30 CEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@@H](O)C23CCC3)c1 ZINC000595778109 345874605 /nfs/dbraw/zinc/87/46/05/345874605.db2.gz PBVRGPGFHJHAPJ-UONOGXRCSA-N 0 3 260.312 2.090 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)N2Cc3cccc(C#N)c3C2)C1 ZINC000595798296 345878187 /nfs/dbraw/zinc/87/81/87/345878187.db2.gz APPOEIRNYVPADE-OAHLLOKOSA-N 0 3 298.390 2.068 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H]2C[C@@H]2C1 ZINC000595808195 345880142 /nfs/dbraw/zinc/88/01/42/345880142.db2.gz MGEBJPAXPHBTCA-ZIAGYGMSSA-N 0 3 272.348 2.287 20 30 CEEDHN CC1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccc(C#N)cc1 ZINC000595856448 345899578 /nfs/dbraw/zinc/89/95/78/345899578.db2.gz CXHKXDRAHBONJM-FUCXHRTASA-N 0 3 297.402 2.437 20 30 CEEDHN CN(C)[C@@H](CNc1c(C#N)cnn1C)c1ccccc1 ZINC000596056495 345929798 /nfs/dbraw/zinc/92/97/98/345929798.db2.gz WVZBMYRALGYUNI-AWEZNQCLSA-N 0 3 269.352 2.007 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC(C2CCC2)CC1 ZINC000595936711 345914895 /nfs/dbraw/zinc/91/48/95/345914895.db2.gz CGKOSWXZTJMSCP-CQSZACIVSA-N 0 3 263.385 2.046 20 30 CEEDHN Cc1ccnc(NC(=O)[C@@H](N)CCCC#N)c1C1CC1 ZINC000595938918 345915404 /nfs/dbraw/zinc/91/54/04/345915404.db2.gz RGLRUTSWSFSUCU-LBPRGKRZSA-N 0 3 272.352 2.227 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000595993203 345921266 /nfs/dbraw/zinc/92/12/66/345921266.db2.gz XFYPXJNWADFINI-MJBXVCDLSA-N 0 3 263.385 2.189 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1nc(C#N)c(Cl)s1 ZINC000596153301 345953385 /nfs/dbraw/zinc/95/33/85/345953385.db2.gz XQAWTDRBEJDVQO-PSASIEDQSA-N 0 3 284.816 2.445 20 30 CEEDHN Cc1cc(N2CCN(C(C)C)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596077631 345934899 /nfs/dbraw/zinc/93/48/99/345934899.db2.gz VGLIPLJADWSTRX-UHFFFAOYSA-N 0 3 288.351 2.305 20 30 CEEDHN Cc1cc(N[C@H]2CCN(C3CC3)C2)cc(C#N)c1[N+](=O)[O-] ZINC000596091344 345937768 /nfs/dbraw/zinc/93/77/68/345937768.db2.gz IIMPVGFYTSNIMI-LBPRGKRZSA-N 0 3 286.335 2.424 20 30 CEEDHN CC(C)N1CC[C@H](Nc2nc3ncccc3cc2C#N)C1 ZINC000596094694 345938903 /nfs/dbraw/zinc/93/89/03/345938903.db2.gz XBQAMTYBDOWXCA-AWEZNQCLSA-N 0 3 281.363 2.396 20 30 CEEDHN CCCC[N@H+](C)CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596124005 345945212 /nfs/dbraw/zinc/94/52/12/345945212.db2.gz QXFFNLFDZBTJPT-UHFFFAOYSA-N 0 3 272.805 2.234 20 30 CEEDHN CCCC[N@@H+](C)CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596124005 345945214 /nfs/dbraw/zinc/94/52/14/345945214.db2.gz QXFFNLFDZBTJPT-UHFFFAOYSA-N 0 3 272.805 2.234 20 30 CEEDHN CCc1nc(C#N)cc(NCCN2CCCC[C@@H]2CC)n1 ZINC000596125421 345945283 /nfs/dbraw/zinc/94/52/83/345945283.db2.gz ATKZYLKFURMQGY-AWEZNQCLSA-N 0 3 287.411 2.009 20 30 CEEDHN C[C@H]1C[C@H](N(C)c2nc3ncccc3cc2C#N)CCN1C ZINC000596137937 345948881 /nfs/dbraw/zinc/94/88/81/345948881.db2.gz YUADMMJRAKDYIJ-SWLSCSKDSA-N 0 3 295.390 2.420 20 30 CEEDHN CC[C@H](C)N1CCN(c2nc(C#N)ccc2C)CC1 ZINC000596258553 345982992 /nfs/dbraw/zinc/98/29/92/345982992.db2.gz KNAJXSHVYRMFCH-ZDUSSCGKSA-N 0 3 258.369 2.182 20 30 CEEDHN C=CCCSCCNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000596721663 346080763 /nfs/dbraw/zinc/08/07/63/346080763.db2.gz LXGRBGPJWCANRB-KGLIPLIRSA-N 0 3 299.484 2.420 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCF ZINC000596828071 346094187 /nfs/dbraw/zinc/09/41/87/346094187.db2.gz HWAYNVDEBGNMID-UHFFFAOYSA-N 0 3 291.370 2.198 20 30 CEEDHN C[C@H](CC#N)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000596837147 346095438 /nfs/dbraw/zinc/09/54/38/346095438.db2.gz MELCYERORYZMCV-GFCCVEGCSA-N 0 3 275.352 2.115 20 30 CEEDHN C[C@@H](CNC(=O)NC(C)(C)c1cccc(C#N)c1)N(C)C ZINC000596620840 346066175 /nfs/dbraw/zinc/06/61/75/346066175.db2.gz HEYSQRNCNXESHS-LBPRGKRZSA-N 0 3 288.395 2.043 20 30 CEEDHN CCN(C(=O)Nc1cc(C)cc(C#N)c1)[C@@H]1CCN(C)C1 ZINC000596928677 346107317 /nfs/dbraw/zinc/10/73/17/346107317.db2.gz ZYKXZMBVZXZYDR-OAHLLOKOSA-N 0 3 286.379 2.425 20 30 CEEDHN CCN1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596976876 346111382 /nfs/dbraw/zinc/11/13/82/346111382.db2.gz BVKHQFUHURLZAO-UHFFFAOYSA-N 0 3 269.392 2.379 20 30 CEEDHN C[C@H]1C[C@@H](O)CN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597109045 346128996 /nfs/dbraw/zinc/12/89/96/346128996.db2.gz YTLNXYVNXSRBDS-SWLSCSKDSA-N 0 3 256.349 2.197 20 30 CEEDHN C[C@@H]1CN(Cc2cc(C#N)cs2)C[C@@H](C)C1O ZINC000597206479 346148740 /nfs/dbraw/zinc/14/87/40/346148740.db2.gz SJLMHSHDEDJVOK-NXEZZACHSA-N 0 3 250.367 2.068 20 30 CEEDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc(C#N)s1)C2 ZINC000597714276 346220117 /nfs/dbraw/zinc/22/01/17/346220117.db2.gz HWWVYMLWYOOQOS-HNNXBMFYSA-N 0 3 289.404 2.178 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)Cc1ccc(C#N)cc1 ZINC000597858877 346239752 /nfs/dbraw/zinc/23/97/52/346239752.db2.gz PVEOOIQVKIKUHT-HNNXBMFYSA-N 0 3 285.391 2.090 20 30 CEEDHN CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCN(C)C1 ZINC000597944990 346255992 /nfs/dbraw/zinc/25/59/92/346255992.db2.gz FWNIOMIEQCNVIN-MRXNPFEDSA-N 0 3 297.402 2.408 20 30 CEEDHN C=CCCSCCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000597968665 346259575 /nfs/dbraw/zinc/25/95/75/346259575.db2.gz YKSYAXMFHVFEQI-STQMWFEESA-N 0 3 270.442 2.285 20 30 CEEDHN C[C@@H](C(=O)N1CC[C@@](C)(C#N)C1)N1CCCCCC1 ZINC000598411427 346349466 /nfs/dbraw/zinc/34/94/66/346349466.db2.gz IZIODFWWPHRPDK-ZFWWWQNUSA-N 0 3 263.385 2.013 20 30 CEEDHN CN(C)Cc1ccc(C(=O)N2CC[C@@](C)(C#N)C2)cc1 ZINC000598414955 346351390 /nfs/dbraw/zinc/35/13/90/346351390.db2.gz GQUYYIWOYCVPDK-INIZCTEOSA-N 0 3 271.364 2.124 20 30 CEEDHN CN(C)Cc1ccc(C(=O)N2CC[C@](C)(C#N)C2)cc1 ZINC000598414957 346351480 /nfs/dbraw/zinc/35/14/80/346351480.db2.gz GQUYYIWOYCVPDK-MRXNPFEDSA-N 0 3 271.364 2.124 20 30 CEEDHN N#C[C@@H]1CCC[C@@H]1NC1CCN(c2ccccn2)CC1 ZINC000061892057 362697545 /nfs/dbraw/zinc/69/75/45/362697545.db2.gz YRRDXCPWNOVEEI-ZFWWWQNUSA-N 0 3 270.380 2.332 20 30 CEEDHN CC(C)CCO[C@@H]1CCN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598632491 346388287 /nfs/dbraw/zinc/38/82/87/346388287.db2.gz DSOAFQGUORHWGF-LSDHHAIUSA-N 0 3 282.428 2.424 20 30 CEEDHN COc1cc(CN(C)C[C@@H](O)CC(C)(C)C#N)ccc1O ZINC000598590324 346378303 /nfs/dbraw/zinc/37/83/03/346378303.db2.gz PPPMQSBQKMEWEV-ZDUSSCGKSA-N 0 3 292.379 2.133 20 30 CEEDHN C[C@@H](c1cccnc1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598598931 346380951 /nfs/dbraw/zinc/38/09/51/346380951.db2.gz JWGKVQHUSDQMKZ-GXTWGEPZSA-N 0 3 261.369 2.375 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCSC[C@H]1C1CC1 ZINC000598620611 346386125 /nfs/dbraw/zinc/38/61/25/346386125.db2.gz LTAPNHBZLYIPQY-OLZOCXBDSA-N 0 3 268.426 2.115 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(OC2CCC2)CC1 ZINC000598622451 346386760 /nfs/dbraw/zinc/38/67/60/346386760.db2.gz NHQTUFJWQYGALB-CYBMUJFWSA-N 0 3 280.412 2.321 20 30 CEEDHN COc1cc(CN2CC[C@@H](C)[C@H](CO)C2)ccc1C#N ZINC000598678356 346399692 /nfs/dbraw/zinc/39/96/92/346399692.db2.gz WUBKRVQKNRLWDJ-DOMZBBRYSA-N 0 3 274.364 2.017 20 30 CEEDHN CCCOc1ccc(CNC[C@H](O)CC(C)(C)C#N)cn1 ZINC000598721504 346408228 /nfs/dbraw/zinc/40/82/28/346408228.db2.gz UYLNBYWVQLGJDC-CQSZACIVSA-N 0 3 291.395 2.261 20 30 CEEDHN CCc1ccnc(CNC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598723265 346408765 /nfs/dbraw/zinc/40/87/65/346408765.db2.gz FOYHWYJIQNJIIE-AWEZNQCLSA-N 0 3 261.369 2.034 20 30 CEEDHN Cc1c(Cl)cnc(N2CCc3nccc(N)c3C2)c1C#N ZINC000598943064 346435746 /nfs/dbraw/zinc/43/57/46/346435746.db2.gz PHNYPQUPHKVZQC-UHFFFAOYSA-N 0 3 299.765 2.455 20 30 CEEDHN Cn1c2cc(CN[C@@H]3CCC[C@@H](C#N)C3)ccc2oc1=O ZINC000599085166 346458152 /nfs/dbraw/zinc/45/81/52/346458152.db2.gz VXLZNUOJVOBZDE-DGCLKSJQSA-N 0 3 285.347 2.303 20 30 CEEDHN C[C@@H](NCCN(C)CC(F)F)c1ccc(C#N)cc1 ZINC000599088583 346458462 /nfs/dbraw/zinc/45/84/62/346458462.db2.gz HSMUVMSZLZKPCO-LLVKDONJSA-N 0 3 267.323 2.406 20 30 CEEDHN C[C@@H](NCCN(C)CC(F)F)c1cccc(C#N)c1 ZINC000599094029 346459102 /nfs/dbraw/zinc/45/91/02/346459102.db2.gz CSQQYXSOEAAZHH-LLVKDONJSA-N 0 3 267.323 2.406 20 30 CEEDHN N#Cc1ccc(NCCN2CC[C@@H](O)C2)cc1C(F)(F)F ZINC000599176001 346473206 /nfs/dbraw/zinc/47/32/06/346473206.db2.gz NKDGBWDNEOGEDL-GFCCVEGCSA-N 0 3 299.296 2.056 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000599357861 346505465 /nfs/dbraw/zinc/50/54/65/346505465.db2.gz XJQAQOZGRKTKAE-KGLIPLIRSA-N 0 3 294.782 2.018 20 30 CEEDHN C[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccsc1 ZINC000599401432 346513745 /nfs/dbraw/zinc/51/37/45/346513745.db2.gz RBMBDSQMXRESGH-GXTWGEPZSA-N 0 3 294.420 2.470 20 30 CEEDHN N#CCCCNCc1ccccc1OCCCCO ZINC000602605270 347097276 /nfs/dbraw/zinc/09/72/76/347097276.db2.gz XSCDNNVZSGQCGT-UHFFFAOYSA-N 0 3 262.353 2.231 20 30 CEEDHN CCC1(N2CCOCC2)CCN([C@H](C)CCC#N)CC1 ZINC000599664088 346558401 /nfs/dbraw/zinc/55/84/01/346558401.db2.gz MSOFDNAKWCFTJG-OAHLLOKOSA-N 0 3 279.428 2.255 20 30 CEEDHN CCCCNC(=O)CCN1CCc2c(CC#N)cccc2C1 ZINC000599679452 346563412 /nfs/dbraw/zinc/56/34/12/346563412.db2.gz SMDWRGYIWLWHPN-UHFFFAOYSA-N 0 3 299.418 2.417 20 30 CEEDHN N#Cc1cnn2cc(CN3CC[C@H]4CC[C@@H](C3)S4)cnc12 ZINC000600191853 346620185 /nfs/dbraw/zinc/62/01/85/346620185.db2.gz VSWQEEBKUQMGGP-KGLIPLIRSA-N 0 3 299.403 2.071 20 30 CEEDHN CCN(C(=O)c1sccc1C#N)C1CCN(C)CC1 ZINC000599986670 346589330 /nfs/dbraw/zinc/58/93/30/346589330.db2.gz XENGIMGBHRYCOU-UHFFFAOYSA-N 0 3 277.393 2.176 20 30 CEEDHN CCN(C(=O)c1ccc(C#N)cc1)C1CCN(C)CC1 ZINC000599985371 346589728 /nfs/dbraw/zinc/58/97/28/346589728.db2.gz DBWGDVVECGFTFM-UHFFFAOYSA-N 0 3 271.364 2.115 20 30 CEEDHN C/C=C\C[C@@H]1CCCN(CC(=O)N(CC)CCC#N)C1 ZINC000599689554 346567430 /nfs/dbraw/zinc/56/74/30/346567430.db2.gz JMCICGRMLUHYEY-UYWPIULCSA-N 0 3 277.412 2.427 20 30 CEEDHN CCOc1cccc(CNC[C@H](O)CC2(C#N)CC2)c1 ZINC000600718028 346677119 /nfs/dbraw/zinc/67/71/19/346677119.db2.gz VAMCXQKKWMDGOS-CQSZACIVSA-N 0 3 274.364 2.230 20 30 CEEDHN CCOc1cccc(CNC[C@@H](O)CC2(C#N)CC2)c1 ZINC000600718027 346677331 /nfs/dbraw/zinc/67/73/31/346677331.db2.gz VAMCXQKKWMDGOS-AWEZNQCLSA-N 0 3 274.364 2.230 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@@H]2CSc3ccccc32)CC1 ZINC000600722085 346678364 /nfs/dbraw/zinc/67/83/64/346678364.db2.gz FHCAPUCRUZMWEZ-DGCLKSJQSA-N 0 3 274.389 2.478 20 30 CEEDHN Cc1ccc2c(c1C)OC[C@@H]2NC[C@H](O)CC1(C#N)CC1 ZINC000600722515 346678452 /nfs/dbraw/zinc/67/84/52/346678452.db2.gz QSVYLXAXPYISDJ-HIFRSBDPSA-N 0 3 286.375 2.381 20 30 CEEDHN CC[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccncc1 ZINC000600726299 346679351 /nfs/dbraw/zinc/67/93/51/346679351.db2.gz SFXPCRRLFZWUCL-KBPBESRZSA-N 0 3 259.353 2.177 20 30 CEEDHN CC[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccncc1 ZINC000600726304 346679571 /nfs/dbraw/zinc/67/95/71/346679571.db2.gz SFXPCRRLFZWUCL-ZIAGYGMSSA-N 0 3 259.353 2.177 20 30 CEEDHN C[C@H]1CN(C)CC[C@H]1N(C)c1cc(C#N)nc(C2CC2)n1 ZINC000601125515 346760801 /nfs/dbraw/zinc/76/08/01/346760801.db2.gz HNGJYXVZEJVKGJ-SMDDNHRTSA-N 0 3 285.395 2.002 20 30 CEEDHN Cc1cc(C#N)cc(N[C@@H](C)C2=CCN(C)CC2)n1 ZINC000601140269 346766973 /nfs/dbraw/zinc/76/69/73/346766973.db2.gz WFTMMTPORAIKIP-LBPRGKRZSA-N 0 3 256.353 2.324 20 30 CEEDHN CC(C)(CCC#N)C[NH2+]Cc1nnc(C2CCOCC2)[n-]1 ZINC000601147593 346769361 /nfs/dbraw/zinc/76/93/61/346769361.db2.gz UDCZJFKAPOGGFP-UHFFFAOYSA-N 0 3 291.399 2.118 20 30 CEEDHN CC(C)(CCC#N)CNCc1nnc(C2CCOCC2)[nH]1 ZINC000601147593 346769365 /nfs/dbraw/zinc/76/93/65/346769365.db2.gz UDCZJFKAPOGGFP-UHFFFAOYSA-N 0 3 291.399 2.118 20 30 CEEDHN CCN1CCCN(c2cc(C#N)nc(C3CC3)n2)[C@H](C)C1 ZINC000601173869 346777772 /nfs/dbraw/zinc/77/77/72/346777772.db2.gz KWNNMFVCCNJJSY-GFCCVEGCSA-N 0 3 285.395 2.146 20 30 CEEDHN N#Cc1cc(N2CCN(C3CCCC3)CC2)nc(C2CC2)n1 ZINC000601103032 346753554 /nfs/dbraw/zinc/75/35/54/346753554.db2.gz KYRKPMKTJUUBSF-UHFFFAOYSA-N 0 3 297.406 2.290 20 30 CEEDHN Cc1ccc(CN2CC[C@H](Nc3nccnc3C#N)C2)cc1 ZINC000601251318 346802541 /nfs/dbraw/zinc/80/25/41/346802541.db2.gz ZKIZCBTZJGBIBE-HNNXBMFYSA-N 0 3 293.374 2.343 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(C#N)n1 ZINC000602646419 347122223 /nfs/dbraw/zinc/12/22/23/347122223.db2.gz PSGZEYWVXCJGII-DOMZBBRYSA-N 0 3 257.337 2.024 20 30 CEEDHN CC[C@](C)(CN1CC[C@H](Oc2ccc(C#N)cn2)C1)OC ZINC000602673383 347136188 /nfs/dbraw/zinc/13/61/88/347136188.db2.gz UNBLFZBGPPPRKH-GOEBONIOSA-N 0 3 289.379 2.221 20 30 CEEDHN C[C@@H](CCC#N)CN1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000602675615 347136699 /nfs/dbraw/zinc/13/66/99/347136699.db2.gz MYNRPFMCBRXJSX-RDJZCZTQSA-N 0 3 299.418 2.359 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCO[C@H](c3ccncc3)C2)n1 ZINC000602682587 347142579 /nfs/dbraw/zinc/14/25/79/347142579.db2.gz MMOLTVXTVBBJHK-YOEHRIQHSA-N 0 3 294.358 2.358 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(=O)OCC)[nH]1 ZINC000602683172 347143498 /nfs/dbraw/zinc/14/34/98/347143498.db2.gz PXCNPDKPDWKTMD-OCCSQVGLSA-N 0 3 278.352 2.015 20 30 CEEDHN Cc1ncccc1NC(=O)[C@H](C)NC1CCC(C#N)CC1 ZINC000602686727 347146413 /nfs/dbraw/zinc/14/64/13/347146413.db2.gz HACGCXXJQHFRCC-HSBZDZAISA-N 0 3 286.379 2.389 20 30 CEEDHN N#Cc1cccc(CN[C@H](CO)CC2CCCCC2)n1 ZINC000602697226 347153996 /nfs/dbraw/zinc/15/39/96/347153996.db2.gz WARNNYGGHLVAKD-INIZCTEOSA-N 0 3 273.380 2.374 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCCN3CCCC[C@H]23)n1 ZINC000602706108 347160362 /nfs/dbraw/zinc/16/03/62/347160362.db2.gz ARJIJGHYZGTVRK-JKSUJKDBSA-N 0 3 270.380 2.060 20 30 CEEDHN CO[C@H](CN1CCC[C@@H](CC#N)C1)C1CCOCC1 ZINC000602707353 347162266 /nfs/dbraw/zinc/16/22/66/347162266.db2.gz UFFGRRWUYXTVBK-DZGCQCFKSA-N 0 3 266.385 2.054 20 30 CEEDHN N#CCC1(CN2CCC(C(N)=O)(c3ccccc3)CC2)CC1 ZINC000602785743 347198355 /nfs/dbraw/zinc/19/83/55/347198355.db2.gz XZSUNIPXGXYYBO-UHFFFAOYSA-N 0 3 297.402 2.199 20 30 CEEDHN CCO[C@@]1(C)C[C@H]1N[C@H](C)CC1(C#N)CCOCC1 ZINC000602722324 347170782 /nfs/dbraw/zinc/17/07/82/347170782.db2.gz BLIBBWOWTMZNGZ-MCIONIFRSA-N 0 3 266.385 2.242 20 30 CEEDHN N#CC1CCC(N[C@H]2Cc3ccccc3NC2=O)CC1 ZINC000602727929 347174528 /nfs/dbraw/zinc/17/45/28/347174528.db2.gz YKVTWQDXIIEBPX-HGMXIMQMSA-N 0 3 269.348 2.222 20 30 CEEDHN C[C@@H](CCC#N)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602733780 347177949 /nfs/dbraw/zinc/17/79/49/347177949.db2.gz VQMSDPODZDJNGA-WFASDCNBSA-N 0 3 291.351 2.332 20 30 CEEDHN CO[C@H](CN1C[C@H](C)N(CC#N)[C@@H](C)C1)C1CCCC1 ZINC000602851384 347224445 /nfs/dbraw/zinc/22/44/45/347224445.db2.gz VSVAQSBJHYPQDY-OFQRWUPVSA-N 0 3 279.428 2.110 20 30 CEEDHN C[C@@H]1CN(CCCCOC(C)(C)C)C[C@@H](C)N1CC#N ZINC000602856364 347227498 /nfs/dbraw/zinc/22/74/98/347227498.db2.gz ZNBWWCVSRGOXQQ-HUUCEWRRSA-N 0 3 281.444 2.500 20 30 CEEDHN CN1CCN(Cc2ccncc2C#N)C[C@H]1C(C)(C)C ZINC000602874911 347235066 /nfs/dbraw/zinc/23/50/66/347235066.db2.gz VCVFRZNQXDLLLW-HNNXBMFYSA-N 0 3 272.396 2.115 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602896520 347240790 /nfs/dbraw/zinc/24/07/90/347240790.db2.gz SPJMQFOHASLYHC-KRWDZBQOSA-N 0 3 285.391 2.372 20 30 CEEDHN N#Cc1cc(CN2CC[C@H](O)[C@H]3CCCC[C@H]32)ccn1 ZINC000602997431 347269723 /nfs/dbraw/zinc/26/97/23/347269723.db2.gz JREIZDAUBANRNG-XHSDSOJGSA-N 0 3 271.364 2.079 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)Nc2cc(F)cc(C#N)c2)CCN1C ZINC000603079429 347282633 /nfs/dbraw/zinc/28/26/33/347282633.db2.gz TUQNBTWYNOKALY-MFKMUULPSA-N 0 3 290.342 2.302 20 30 CEEDHN CCC[C@H](N)c1cn(Cc2cc(F)ccc2C#N)nn1 ZINC000603218493 347311852 /nfs/dbraw/zinc/31/18/52/347311852.db2.gz CUGFWXHLRIQREM-ZDUSSCGKSA-N 0 3 273.315 2.137 20 30 CEEDHN CC[C@H](N)c1cn([C@H](C)c2ccc(C#N)cc2)nn1 ZINC000603227237 347315304 /nfs/dbraw/zinc/31/53/04/347315304.db2.gz KSDQPIMKCZLQJU-MFKMUULPSA-N 0 3 255.325 2.169 20 30 CEEDHN CC[C@@H](N)c1cn([C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000603227235 347315454 /nfs/dbraw/zinc/31/54/54/347315454.db2.gz KSDQPIMKCZLQJU-GXFFZTMASA-N 0 3 255.325 2.169 20 30 CEEDHN CC[C@](C)(N)c1cn(Cc2ccc(C#N)cc2Cl)nn1 ZINC000603226865 347315645 /nfs/dbraw/zinc/31/56/45/347315645.db2.gz MVEHJDLLROENTD-AWEZNQCLSA-N 0 3 289.770 2.435 20 30 CEEDHN CC(C)N(CCC#N)C(=O)CN(C)CC(C)(C)C ZINC000608886438 347622985 /nfs/dbraw/zinc/62/29/85/347622985.db2.gz WCCJYBPQKRRVRM-UHFFFAOYSA-N 0 3 253.390 2.115 20 30 CEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CCN(C)C1 ZINC000609574017 347644178 /nfs/dbraw/zinc/64/41/78/347644178.db2.gz GKUHDXSPWNHBBR-ZDUSSCGKSA-N 0 3 287.363 2.236 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc(C#N)cc1 ZINC000609833230 347652683 /nfs/dbraw/zinc/65/26/83/347652683.db2.gz CRYZAFOBCZDFJR-HNNXBMFYSA-N 0 3 271.364 2.162 20 30 CEEDHN C[C@@H](C#N)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000610348011 347674930 /nfs/dbraw/zinc/67/49/30/347674930.db2.gz KUMCQTRAUNIDAX-HOCLYGCPSA-N 0 3 285.391 2.489 20 30 CEEDHN CCCN(C)CC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610362321 347676250 /nfs/dbraw/zinc/67/62/50/347676250.db2.gz PVOXYHCIGMUSPZ-LBPRGKRZSA-N 0 3 259.353 2.077 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cnc(C#N)cn1 ZINC000129964955 365912201 /nfs/dbraw/zinc/91/22/01/365912201.db2.gz PUDKSFVGOZJJHU-CJNGLKHVSA-N 0 3 293.374 2.281 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCn1ccnc1 ZINC000611390284 347772878 /nfs/dbraw/zinc/77/28/78/347772878.db2.gz OKRPMRGVVXJTMI-MRXNPFEDSA-N 0 3 266.348 2.422 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc(CC#N)cc1 ZINC000611151207 347745031 /nfs/dbraw/zinc/74/50/31/347745031.db2.gz FJSBRLDBJJHZLZ-MRXNPFEDSA-N 0 3 285.391 2.357 20 30 CEEDHN CCN(Cc1ccc(C#N)cc1OC)C[C@H]1CCOC1 ZINC000611235501 347754988 /nfs/dbraw/zinc/75/49/88/347754988.db2.gz HZCPDIBPEHJYLB-CQSZACIVSA-N 0 3 274.364 2.425 20 30 CEEDHN CC(C)(C)CN(CCO)Cc1cc(C#N)cs1 ZINC000611269303 347761293 /nfs/dbraw/zinc/76/12/93/347761293.db2.gz BYXISPICPNBQIH-UHFFFAOYSA-N 0 3 252.383 2.460 20 30 CEEDHN C[C@@H]1C[C@H](Nc2nc3ccccn3c2C#N)CCN1C ZINC000611754316 347814363 /nfs/dbraw/zinc/81/43/63/347814363.db2.gz BBCBMYJCYMGYTD-VXGBXAGGSA-N 0 3 269.352 2.101 20 30 CEEDHN C[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)N1CCCCCC1 ZINC000612364116 347874231 /nfs/dbraw/zinc/87/42/31/347874231.db2.gz CUJHCCJCUSAILY-HOCLYGCPSA-N 0 3 277.412 2.403 20 30 CEEDHN COC(=O)C1(CNCc2cc(C#N)cs2)CCCC1 ZINC000612404804 347880662 /nfs/dbraw/zinc/88/06/62/347880662.db2.gz ZPNKNBCKFQUIRD-UHFFFAOYSA-N 0 3 278.377 2.443 20 30 CEEDHN C=CCNC(=O)CN1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000613415420 348042393 /nfs/dbraw/zinc/04/23/93/348042393.db2.gz FWDMKWUHZASFHX-MELADBBJSA-N 0 3 250.386 2.189 20 30 CEEDHN N#Cc1ccc(C(=O)NCCN2CCCC2)cc1Cl ZINC000614599424 348220403 /nfs/dbraw/zinc/22/04/03/348220403.db2.gz HYDLTSDEJWQGFE-UHFFFAOYSA-N 0 3 277.755 2.037 20 30 CEEDHN CS[C@@H]1CN(Cc2ccc(C#N)cc2C)C[C@@H]1N(C)C ZINC000614403350 348194671 /nfs/dbraw/zinc/19/46/71/348194671.db2.gz SSQFNWQCGVPIDR-JKSUJKDBSA-N 0 3 289.448 2.344 20 30 CEEDHN CCC1(CO)CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000270912446 190866142 /nfs/dbraw/zinc/86/61/42/190866142.db2.gz QKCYNRZAUZQMSJ-MRXNPFEDSA-N 0 3 288.391 2.076 20 30 CEEDHN N#CCNC(=O)CN1CCC[C@H]1CC1CCCCC1 ZINC000066497111 362871009 /nfs/dbraw/zinc/87/10/09/362871009.db2.gz ZOOROHKVAOYPQU-AWEZNQCLSA-N 0 3 263.385 2.061 20 30 CEEDHN CN(CCN(C)C1CC1)Cc1cccc(C#N)c1F ZINC000351961963 219267818 /nfs/dbraw/zinc/26/78/18/219267818.db2.gz MKFXMEGIALLNPX-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN Cc1ccnc(N[C@@H](C)C2=CCN(C)CC2)c1C#N ZINC000273425506 192146572 /nfs/dbraw/zinc/14/65/72/192146572.db2.gz ZODSPKMGQWOLDZ-LBPRGKRZSA-N 0 3 256.353 2.324 20 30 CEEDHN C=C(C)[C@@H](CC(=O)NC[C@H]1CCN1C(C)(C)C)OCC ZINC000617011788 348611680 /nfs/dbraw/zinc/61/16/80/348611680.db2.gz MHBBMNVMGYCQLL-ZIAGYGMSSA-N 0 3 282.428 2.347 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000617344500 348683067 /nfs/dbraw/zinc/68/30/67/348683067.db2.gz KCEYSRMRRKWXLQ-XJKSGUPXSA-N 0 3 282.428 2.204 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NCc2ccc3c(c2)C(=O)NCC3)C1 ZINC000618575582 348980182 /nfs/dbraw/zinc/98/01/82/348980182.db2.gz SKBXYCWDYGBVRF-DOMZBBRYSA-N 0 3 283.375 2.144 20 30 CEEDHN COC(=O)c1cc(CN[C@@H]2CCc3cc(C#N)ccc32)c[nH]1 ZINC000618741003 349034646 /nfs/dbraw/zinc/03/46/46/349034646.db2.gz BLPITDORJWZUHA-OAHLLOKOSA-N 0 3 295.342 2.450 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cncc(C#N)n1 ZINC000401219093 233180335 /nfs/dbraw/zinc/18/03/35/233180335.db2.gz ASQPZVPLBZVGJG-BBRMVZONSA-N 0 3 293.374 2.281 20 30 CEEDHN N#Cc1cncc(N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000401373051 233181926 /nfs/dbraw/zinc/18/19/26/233181926.db2.gz ISJQGACSKXPUML-HNNXBMFYSA-N 0 3 293.374 2.425 20 30 CEEDHN CCCN(C)CC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618892804 349061751 /nfs/dbraw/zinc/06/17/51/349061751.db2.gz QHDZATHFPLFRHC-HNNXBMFYSA-N 0 3 271.364 2.004 20 30 CEEDHN N#CCSCC(=O)N[C@@H]1CCCN(C2CCCCC2)C1 ZINC000068526652 362943414 /nfs/dbraw/zinc/94/34/14/362943414.db2.gz VMAYJFOHHZPCNE-CYBMUJFWSA-N 0 3 295.452 2.156 20 30 CEEDHN C=CCCOCC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000681145394 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CCc1nnc(N[C@H]2CCN(C)[C@H](C)C2)c(C#N)c1CC ZINC000122383204 187029831 /nfs/dbraw/zinc/02/98/31/187029831.db2.gz QJBVPSQMFPPHKW-NEPJUHHUSA-N 0 3 287.411 2.368 20 30 CEEDHN CO[C@@]1(CN[C@@H](C)c2ccc(C#N)cc2)CCOC1 ZINC000122839433 187054632 /nfs/dbraw/zinc/05/46/32/187054632.db2.gz KUMKGATWZZEFFV-SWLSCSKDSA-N 0 3 260.337 2.014 20 30 CEEDHN C=CCNC(=O)[C@H](C)N(CC)CCc1ccccc1 ZINC000154066137 188121023 /nfs/dbraw/zinc/12/10/23/188121023.db2.gz DZTQKQQAOFNNCN-AWEZNQCLSA-N 0 3 260.381 2.242 20 30 CEEDHN C=C(C)CNC(=O)NCCCN1CCc2ccccc2C1 ZINC000156827019 188283151 /nfs/dbraw/zinc/28/31/51/188283151.db2.gz OMDKWFMXENOIBA-UHFFFAOYSA-N 0 3 287.407 2.310 20 30 CEEDHN CCN(C)CCNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000158090320 188356662 /nfs/dbraw/zinc/35/66/62/188356662.db2.gz FBMYFZNWRDTMSV-HNNXBMFYSA-N 0 3 288.395 2.282 20 30 CEEDHN N#Cc1ccc(O[C@H]2CCN(C[C@@H]3CCC=CO3)C2)nc1 ZINC000292740951 198395295 /nfs/dbraw/zinc/39/52/95/198395295.db2.gz HLCGSHHMFJTIBC-GJZGRUSLSA-N 0 3 285.347 2.099 20 30 CEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(C#N)s1 ZINC000336417356 213276591 /nfs/dbraw/zinc/27/65/91/213276591.db2.gz QHXXREAIMAFPPR-CMPLNLGQSA-N 0 3 277.393 2.032 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000338121856 366200997 /nfs/dbraw/zinc/20/09/97/366200997.db2.gz VKLSFZJBHOSVNR-CYBMUJFWSA-N 0 3 283.375 2.247 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)NCCN1CCCC[C@H]1C ZINC000338150157 366212971 /nfs/dbraw/zinc/21/29/71/366212971.db2.gz IXEJIHISLFMXOP-CYBMUJFWSA-N 0 3 285.391 2.471 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC2(C1)CCCCC2 ZINC000331709614 283051957 /nfs/dbraw/zinc/05/19/57/283051957.db2.gz YAOZOEWICWHWPJ-CYBMUJFWSA-N 0 3 263.385 2.190 20 30 CEEDHN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000333314785 283057122 /nfs/dbraw/zinc/05/71/22/283057122.db2.gz OOKHXPVANFATLE-AEGPPILISA-N 0 3 275.396 2.202 20 30 CEEDHN N#C[C@H]1CC[C@@H](N2CCC(N3CCCCC3=O)CC2)C1 ZINC000336376040 283065907 /nfs/dbraw/zinc/06/59/07/283065907.db2.gz RUYQPPIXKIICLD-DZGCQCFKSA-N 0 3 275.396 2.156 20 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CEEDHN C=CC[C@H](CO)NCc1c(C)nc2sc(C)cn12 ZINC000320347836 538774476 /nfs/dbraw/zinc/77/44/76/538774476.db2.gz BZYLFPVLPMBZKA-LLVKDONJSA-N 0 3 265.382 2.039 20 30 CEEDHN N#Cc1ccccc1N1CCCN(CCC2(O)CCC2)CC1 ZINC000577991765 366426920 /nfs/dbraw/zinc/42/69/20/366426920.db2.gz URQSDHVPAXQHQS-UHFFFAOYSA-N 0 3 299.418 2.375 20 30 CEEDHN N#CCCCCN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000136128996 366496475 /nfs/dbraw/zinc/49/64/75/366496475.db2.gz VQFRNZVWKMHEAZ-CYBMUJFWSA-N 0 3 273.384 2.486 20 30 CEEDHN CCn1nccc1CNCCc1cccc(C#N)c1 ZINC000341489043 215987970 /nfs/dbraw/zinc/98/79/70/215987970.db2.gz QHYXCNJJHOCVDM-UHFFFAOYSA-N 0 3 254.337 2.107 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000671732657 540495059 /nfs/dbraw/zinc/49/50/59/540495059.db2.gz HXYVBAVYGCUGLU-CABCVRRESA-N 0 3 291.391 2.475 20 30 CEEDHN CCC#C[C@@H](C)N1CC[C@H](OCc2ccncc2)C1 ZINC000672555587 540626594 /nfs/dbraw/zinc/62/65/94/540626594.db2.gz VCSSPFFPCBKAEH-ZBFHGGJFSA-N 0 3 258.365 2.474 20 30 CEEDHN CC[C@@H](C)[C@@H](C)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000147746946 366575788 /nfs/dbraw/zinc/57/57/88/366575788.db2.gz DLEDXHWJADMVMX-CHWSQXEVSA-N 0 3 294.420 2.356 20 30 CEEDHN CCNC(=O)N1CC[C@H](N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000151074946 366617140 /nfs/dbraw/zinc/61/71/40/366617140.db2.gz YJTJSMIRQSQQAE-WFASDCNBSA-N 0 3 286.379 2.013 20 30 CEEDHN N#Cc1ccc(CCC(=O)NCCN2CCCCCC2)cc1 ZINC000339058501 366634471 /nfs/dbraw/zinc/63/44/71/366634471.db2.gz PUIMVADURLOOHP-UHFFFAOYSA-N 0 3 299.418 2.483 20 30 CEEDHN Cc1nccn1CCCN(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000179500361 189197952 /nfs/dbraw/zinc/19/79/52/189197952.db2.gz ZMFHMSMWEQOWGE-QGZVFWFLSA-N 0 3 298.390 2.119 20 30 CEEDHN CC#CCN[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179652783 189210150 /nfs/dbraw/zinc/21/01/50/189210150.db2.gz SYSLLNGUJGFGMB-CYBMUJFWSA-N 0 3 286.375 2.018 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ccncc2C)CC1 ZINC000179876022 189225492 /nfs/dbraw/zinc/22/54/92/189225492.db2.gz HPMVEAJEOSXKEN-UHFFFAOYSA-N 0 3 274.368 2.162 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)c1ccc(CC)s1 ZINC000180034607 189233580 /nfs/dbraw/zinc/23/35/80/189233580.db2.gz DFCXHXXEAIKEFZ-SNVBAGLBSA-N 0 3 252.383 2.263 20 30 CEEDHN COCC#CCN1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000677819659 541047093 /nfs/dbraw/zinc/04/70/93/541047093.db2.gz ITRNMBDDKFMCEJ-MRXNPFEDSA-N 0 3 297.402 2.459 20 30 CEEDHN N#Cc1ccc(OCCN2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000152892538 366720120 /nfs/dbraw/zinc/72/01/20/366720120.db2.gz CAHQRWKVHRRYLS-WBVHZDCISA-N 0 3 286.375 2.438 20 30 CEEDHN N#Cc1ccccc1OCCN1CC[C@H]2OCCC[C@@H]2C1 ZINC000153130502 366731488 /nfs/dbraw/zinc/73/14/88/366731488.db2.gz WZLYSLDEYAMNPD-NVXWUHKLSA-N 0 3 286.375 2.438 20 30 CEEDHN Cc1cc(C#N)cc(NC[C@@H](c2cccs2)N(C)C)n1 ZINC000339969721 366732162 /nfs/dbraw/zinc/73/21/62/366732162.db2.gz HUHCHKKXVZQVPT-ZDUSSCGKSA-N 0 3 286.404 2.460 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)o1)C1CCCC1 ZINC000154617819 366782079 /nfs/dbraw/zinc/78/20/79/366782079.db2.gz STIJDUHFRMRIJJ-UHFFFAOYSA-N 0 3 261.369 2.457 20 30 CEEDHN CC(C)CNC(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000155716866 366820690 /nfs/dbraw/zinc/82/06/90/366820690.db2.gz YUPGZCSWSUYGBD-JTQLQIEISA-N 0 3 285.269 2.480 20 30 CEEDHN C=CCN(CC1CCCCC1)[C@@H](C)C(=O)NC(=O)NCC ZINC000155782205 366822929 /nfs/dbraw/zinc/82/29/29/366822929.db2.gz DCJVTCLVSFCZON-ZDUSSCGKSA-N 0 3 295.427 2.289 20 30 CEEDHN CN(CCNc1ccc(C#N)nn1)Cc1ccc(F)cc1 ZINC000302008807 201295976 /nfs/dbraw/zinc/29/59/76/201295976.db2.gz VLADKRGTVJETMK-UHFFFAOYSA-N 0 3 285.326 2.031 20 30 CEEDHN C=CCCC[C@H](C)N1CCN(CC(=O)NCCCC)CC1 ZINC000678714719 541164939 /nfs/dbraw/zinc/16/49/39/541164939.db2.gz LLQWRBFZHKLYLR-INIZCTEOSA-N 0 3 295.471 2.265 20 30 CEEDHN N#Cc1ccc(CCC(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000029094047 361681008 /nfs/dbraw/zinc/68/10/08/361681008.db2.gz AQXOAGTXRTYMOD-UHFFFAOYSA-N 0 3 297.402 2.234 20 30 CEEDHN C#CCOc1ccccc1CN1CCC([C@H](C)O)CC1 ZINC000092970405 364127093 /nfs/dbraw/zinc/12/70/93/364127093.db2.gz NAVGPBXHQPJYIS-AWEZNQCLSA-N 0 3 273.376 2.291 20 30 CEEDHN Cc1nc2c(s1)[C@H](N(C)C(=O)C(C)C#N)CCC2 ZINC000334685261 364179530 /nfs/dbraw/zinc/17/95/30/364179530.db2.gz VWVRHYBVNMSSJK-GZMMTYOYSA-N 0 3 263.366 2.447 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000093201658 364150966 /nfs/dbraw/zinc/15/09/66/364150966.db2.gz UYEDTNRULYVRGY-HUUCEWRRSA-N 0 3 292.427 2.366 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N1CCOc2ccc(CN)cc21 ZINC000638807520 370765792 /nfs/dbraw/zinc/76/57/92/370765792.db2.gz KXEKAVSWFIFGGU-GFCCVEGCSA-N 0 3 274.364 2.473 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)NC[C@@H]2CCCN2C)c1 ZINC000335000480 364332885 /nfs/dbraw/zinc/33/28/85/364332885.db2.gz APPYRISQUIRUPR-AWEZNQCLSA-N 0 3 272.352 2.082 20 30 CEEDHN C=C(C)COCCNCc1cnc2nc(C)cc(C)n12 ZINC000157620415 366847556 /nfs/dbraw/zinc/84/75/56/366847556.db2.gz UAPLVXDITNFTMW-UHFFFAOYSA-N 0 3 274.368 2.028 20 30 CEEDHN C=CCC1(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CCC1 ZINC000335098935 364475268 /nfs/dbraw/zinc/47/52/68/364475268.db2.gz HSVBYICXQNZYJL-UONOGXRCSA-N 0 3 262.397 2.285 20 30 CEEDHN CN(C)Cc1ccccc1CNC(=O)c1ccc(C#N)o1 ZINC000340304473 366842370 /nfs/dbraw/zinc/84/23/70/366842370.db2.gz VNFVEAXTSNAAPT-UHFFFAOYSA-N 0 3 283.331 2.143 20 30 CEEDHN C=CCCC(=O)NCc1ccccc1OCCN(C)C ZINC000102343193 364592353 /nfs/dbraw/zinc/59/23/53/364592353.db2.gz JUTSSYWQZRXEQL-UHFFFAOYSA-N 0 3 276.380 2.209 20 30 CEEDHN C=CC1CCN(C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000111467005 364739714 /nfs/dbraw/zinc/73/97/14/364739714.db2.gz OSQUFIRZXLLAOQ-CQSZACIVSA-N 0 3 279.428 2.326 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)N2CCC(CCC#N)CC2)CCN1C ZINC000335365453 364694298 /nfs/dbraw/zinc/69/42/98/364694298.db2.gz SPNPSKSFFNXTRL-ZFWWWQNUSA-N 0 3 292.427 2.194 20 30 CEEDHN Cc1n[nH]cc1CN[C@H]1CCCN(c2ccccc2C#N)C1 ZINC000109078138 364717650 /nfs/dbraw/zinc/71/76/50/364717650.db2.gz SVZBJASRLSBSQY-INIZCTEOSA-N 0 3 295.390 2.348 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CCC[C@@H]1c1ccc(C)s1 ZINC000114732257 364961624 /nfs/dbraw/zinc/96/16/24/364961624.db2.gz CTLBDKQAAFBSQU-QWHCGFSZSA-N 0 3 276.405 2.331 20 30 CEEDHN CN(CCN1CCCC1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000118818471 365182531 /nfs/dbraw/zinc/18/25/31/365182531.db2.gz IOCCQMUDCAHBIK-UHFFFAOYSA-N 0 3 290.342 2.257 20 30 CEEDHN C=CCN(C)CCC(=O)N1CCc2ccccc2C1 ZINC000275391533 193020507 /nfs/dbraw/zinc/02/05/07/193020507.db2.gz AGWUJFBUZUWHMU-UHFFFAOYSA-N 0 3 258.365 2.079 20 30 CEEDHN CC(C#N)C(=O)NC1(Cc2cccc(F)c2)CCOCC1 ZINC000357228032 370809943 /nfs/dbraw/zinc/80/99/43/370809943.db2.gz HZMPOAVCJCEMBQ-GFCCVEGCSA-N 0 3 290.338 2.193 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000119300216 365250256 /nfs/dbraw/zinc/25/02/56/365250256.db2.gz LVSVYJWEKLNCPG-KGLIPLIRSA-N 0 3 284.403 2.354 20 30 CEEDHN C=CCSCCNC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000245390936 370810821 /nfs/dbraw/zinc/81/08/21/370810821.db2.gz NWPGVADDGLWGBP-KGLIPLIRSA-N 0 3 299.484 2.325 20 30 CEEDHN C=C(Cl)COc1ccc([C@@H](C)NCCOCCO)cc1 ZINC000159188573 366886802 /nfs/dbraw/zinc/88/68/02/366886802.db2.gz SJNZKLQISCVLTD-CYBMUJFWSA-N 0 3 299.798 2.477 20 30 CEEDHN CCCCN(CCO)Cc1ccc(C#N)cc1OC ZINC000120835748 365483454 /nfs/dbraw/zinc/48/34/54/365483454.db2.gz ZTEHCCRGFXGNBY-UHFFFAOYSA-N 0 3 262.353 2.161 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2CC[C@@H](CC3CC3)C2)cc1 ZINC000582434071 366912014 /nfs/dbraw/zinc/91/20/14/366912014.db2.gz FUBRKXVXYGSIBK-KRWDZBQOSA-N 0 3 297.402 2.296 20 30 CEEDHN C[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)[C@@H]2CCCC[C@H]12 ZINC000584107577 367142297 /nfs/dbraw/zinc/14/22/97/367142297.db2.gz VHYKQIKFBJYSRK-KBUPBQIOSA-N 0 3 277.412 2.435 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1C[C@@H]1c1cnn(-c2ccccc2)c1 ZINC000357925380 370836785 /nfs/dbraw/zinc/83/67/85/370836785.db2.gz HWJBAXVAJYHMCA-DFBGVHRSSA-N 0 3 280.331 2.004 20 30 CEEDHN CC(=O)NC1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000162392480 367155796 /nfs/dbraw/zinc/15/57/96/367155796.db2.gz IMHVXQIDLSSWBD-UHFFFAOYSA-N 0 3 289.354 2.234 20 30 CEEDHN CCC[C@@H]1CN(c2ccc(C#N)cc2)CCN1CCOC ZINC000162488097 367162844 /nfs/dbraw/zinc/16/28/44/367162844.db2.gz SGKQPWHMKGBSFM-QGZVFWFLSA-N 0 3 287.407 2.495 20 30 CEEDHN N#Cc1ccnc(NC2CCN(C3CC3)CC2)c1Cl ZINC000341421200 367331781 /nfs/dbraw/zinc/33/17/81/367331781.db2.gz PIIRKTTZJWAGGW-UHFFFAOYSA-N 0 3 276.771 2.067 20 30 CEEDHN C=C(C)CN1CCC(Nc2cc(C)nc(C#N)c2)CC1 ZINC000342226273 367395936 /nfs/dbraw/zinc/39/59/36/367395936.db2.gz GUPKOEXXWXPMPA-UHFFFAOYSA-N 0 3 270.380 2.136 20 30 CEEDHN C[C@@H]1CSC[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000342299762 367399533 /nfs/dbraw/zinc/39/95/33/367399533.db2.gz BTPTVSDNVWQIRR-KCPJHIHWSA-N 0 3 299.399 2.108 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000342400858 367407243 /nfs/dbraw/zinc/40/72/43/367407243.db2.gz LANTXBWJZPXGPJ-KFWWJZLASA-N 0 3 280.412 2.053 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCCOC1)C(C)C ZINC000170811526 367421992 /nfs/dbraw/zinc/42/19/92/367421992.db2.gz JGHCRMDGYLYOBH-CVEARBPZSA-N 0 3 294.439 2.228 20 30 CEEDHN CCCNC(=O)[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000342670415 367476923 /nfs/dbraw/zinc/47/69/23/367476923.db2.gz RVNFSCZNXDNNSH-QGZVFWFLSA-N 0 3 299.418 2.491 20 30 CEEDHN CC[C@@H]1C[C@H](C)CN1CC(=O)N(CC)C[C@H](C)C#N ZINC000342680743 367480908 /nfs/dbraw/zinc/48/09/08/367480908.db2.gz VFHWWCLIJBJJBO-BFHYXJOUSA-N 0 3 265.401 2.115 20 30 CEEDHN CC[C@@H](NCc1cnc2ccc(C#N)cn12)[C@@H]1CCCO1 ZINC000342784735 367534997 /nfs/dbraw/zinc/53/49/97/367534997.db2.gz WERFIAYZLXFVGB-CABCVRRESA-N 0 3 284.363 2.253 20 30 CEEDHN CN(C)[C@H](CNCc1ccc(C#N)o1)Cc1ccccc1 ZINC000343055044 367649724 /nfs/dbraw/zinc/64/97/24/367649724.db2.gz RNIVJYUHAHNHBS-HNNXBMFYSA-N 0 3 283.375 2.414 20 30 CEEDHN CC[C@H](C)N[C@H](CNc1nc(C)cc(C#N)n1)c1ccco1 ZINC000343246880 367724133 /nfs/dbraw/zinc/72/41/33/367724133.db2.gz GCNDRFAIMMGFOR-SMDDNHRTSA-N 0 3 299.378 2.213 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)[C@H]1CCCN1C1CCCC1 ZINC000343233137 367716368 /nfs/dbraw/zinc/71/63/68/367716368.db2.gz IGEVEXYPUJCQOD-UKRRQHHQSA-N 0 3 277.412 2.402 20 30 CEEDHN CCn1ccnc1[C@@H]1OCC[C@@H]1NCc1cccc(C#N)c1 ZINC000343381645 367782443 /nfs/dbraw/zinc/78/24/43/367782443.db2.gz DHPXQAZMZUCCJV-JKSUJKDBSA-N 0 3 296.374 2.394 20 30 CEEDHN CN(C)Cc1cccc(C(=O)N(CCC#N)CCC#N)c1 ZINC000343590914 367903976 /nfs/dbraw/zinc/90/39/76/367903976.db2.gz AZSYAEBSRVZCHZ-UHFFFAOYSA-N 0 3 284.363 2.018 20 30 CEEDHN C[C@@H]1[C@H](Nc2cc(C#N)c3ccccc3n2)CCCN1C ZINC000343597532 367907976 /nfs/dbraw/zinc/90/79/76/367907976.db2.gz HXIJZEQVMINLOD-IUODEOHRSA-N 0 3 280.375 2.423 20 30 CEEDHN C=CCN(CC=C)CCC(=O)Nc1cc(N)ccc1F ZINC000173216821 367885742 /nfs/dbraw/zinc/88/57/42/367885742.db2.gz PGUWWBZXPORZFO-UHFFFAOYSA-N 0 3 277.343 2.411 20 30 CEEDHN C=CCN(CC=C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343584606 367900280 /nfs/dbraw/zinc/90/02/80/367900280.db2.gz CCDPQTDZQSQVRU-ZDUSSCGKSA-N 0 3 269.352 2.397 20 30 CEEDHN C=CCN(C(=O)c1cnn(CCN(C)C)c1)c1ccccc1 ZINC000633135329 368070576 /nfs/dbraw/zinc/07/05/76/368070576.db2.gz VRZABGHGVHTYIN-UHFFFAOYSA-N 0 3 298.390 2.278 20 30 CEEDHN C=CCCC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344732389 368134221 /nfs/dbraw/zinc/13/42/21/368134221.db2.gz SLSJGYZWMVTVQX-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)Nc2ccc(F)cc2C#N)CCCN1C ZINC000345248947 368208121 /nfs/dbraw/zinc/20/81/21/368208121.db2.gz JIVKEQZIPMFQIJ-ZWNOBZJWSA-N 0 3 290.342 2.302 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)NC1CCN(CCOC)CC1 ZINC000180898549 368400804 /nfs/dbraw/zinc/40/08/04/368400804.db2.gz JKWSDZHKIZKISG-CQSZACIVSA-N 0 3 297.443 2.141 20 30 CEEDHN COC(=O)[C@@H]1CCN(CCC(C)(C)C#N)C[C@@H]1C ZINC000347235497 284057456 /nfs/dbraw/zinc/05/74/56/284057456.db2.gz RVHDCFSWHOZLND-NWDGAFQWSA-N 0 3 252.358 2.057 20 30 CEEDHN CCOC(=O)C[C@@H](C)N(C)CCOc1cccc(C#N)c1 ZINC000182651876 368575109 /nfs/dbraw/zinc/57/51/09/368575109.db2.gz CMMKFXGPUKIQFI-CYBMUJFWSA-N 0 3 290.363 2.211 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346155631 368566407 /nfs/dbraw/zinc/56/64/07/368566407.db2.gz ATWUQJYORMOEDZ-KLHDSHLOSA-N 0 3 294.439 2.156 20 30 CEEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H](C)C#N ZINC000347790496 368820017 /nfs/dbraw/zinc/82/00/17/368820017.db2.gz DXEMVKQTMRJDQF-GOEBONIOSA-N 0 3 287.407 2.419 20 30 CEEDHN C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000185940912 368891126 /nfs/dbraw/zinc/89/11/26/368891126.db2.gz MZUCFOXNPHBWHU-MLGOLLRUSA-N 0 3 296.374 2.308 20 30 CEEDHN C=CCN(C)C[C@H]1C[C@H](F)CN1Cc1nccs1 ZINC000348112490 368903526 /nfs/dbraw/zinc/90/35/26/368903526.db2.gz WCZGPBXJOZPHAH-NWDGAFQWSA-N 0 3 269.389 2.173 20 30 CEEDHN CN(CCCC#N)C[C@H]1C[C@H](F)CN1Cc1nccs1 ZINC000348112537 368903593 /nfs/dbraw/zinc/90/35/93/368903593.db2.gz WQSNSWQFZPIHDJ-QWHCGFSZSA-N 0 3 296.415 2.291 20 30 CEEDHN CC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000348276535 368981647 /nfs/dbraw/zinc/98/16/47/368981647.db2.gz OLKFFVUZPOMAEL-CQSZACIVSA-N 0 3 267.332 2.157 20 30 CEEDHN CCO[C@H]1C[C@@](CO)(NCc2cc(C#N)cs2)C1(C)C ZINC000186579808 369000554 /nfs/dbraw/zinc/00/05/54/369000554.db2.gz SGVUIKBSWJFHJQ-ZFWWWQNUSA-N 0 3 294.420 2.275 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000186686186 369019795 /nfs/dbraw/zinc/01/97/95/369019795.db2.gz NVPBIZYXDZISHA-AAEUAGOBSA-N 0 3 264.325 2.491 20 30 CEEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(OC)ncc1F ZINC000348374553 369023072 /nfs/dbraw/zinc/02/30/72/369023072.db2.gz JPDPRLPQPKFBPC-GHMZBOCLSA-N 0 3 268.332 2.065 20 30 CEEDHN Cn1nc(CCNCc2ccc(C#N)o2)c2ccccc21 ZINC000187390269 369150295 /nfs/dbraw/zinc/15/02/95/369150295.db2.gz QITOMVLNDHYSGH-UHFFFAOYSA-N 0 3 280.331 2.370 20 30 CEEDHN CN(C)C1(CN(C)C(=O)c2cccc(F)c2C#N)CCC1 ZINC000188060246 369286560 /nfs/dbraw/zinc/28/65/60/369286560.db2.gz NUFRYDXHRFGRIJ-UHFFFAOYSA-N 0 3 289.354 2.254 20 30 CEEDHN CO[C@H]1CN(CCOc2ccc(C#N)cc2)CC[C@H]1C ZINC000189353251 369502532 /nfs/dbraw/zinc/50/25/32/369502532.db2.gz LGVCIPRUTAUWEH-CJNGLKHVSA-N 0 3 274.364 2.294 20 30 CEEDHN N#Cc1ccc(OCCN2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000246454378 370963478 /nfs/dbraw/zinc/96/34/78/370963478.db2.gz CAHQRWKVHRRYLS-DOTOQJQBSA-N 0 3 286.375 2.438 20 30 CEEDHN CCOCCOCCN(C)Cc1ccc(C#N)cc1 ZINC000190264770 369608957 /nfs/dbraw/zinc/60/89/57/369608957.db2.gz VGNAVOOWCJETDB-UHFFFAOYSA-N 0 3 262.353 2.043 20 30 CEEDHN C=CCCCCNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000351614393 369643694 /nfs/dbraw/zinc/64/36/94/369643694.db2.gz GVPMMBBFXYTMCM-QWHCGFSZSA-N 0 3 265.401 2.267 20 30 CEEDHN C=CCCCCNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000351661564 369647248 /nfs/dbraw/zinc/64/72/48/369647248.db2.gz LEQPNPNPDZJFHB-QWHCGFSZSA-N 0 3 253.390 2.125 20 30 CEEDHN CC(C)N1CCN(CCCN(CCC#N)CC2CC2)CC1 ZINC000191526399 369721314 /nfs/dbraw/zinc/72/13/14/369721314.db2.gz NWIGNZNBVZHUJD-UHFFFAOYSA-N 0 3 292.471 2.028 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@]1(CO)CC(C)C ZINC000191641403 369729633 /nfs/dbraw/zinc/72/96/33/369729633.db2.gz VFVYTEMSJDZJCH-KRWDZBQOSA-N 0 3 296.455 2.284 20 30 CEEDHN CCCN(CCN(C)C)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000352445464 369734497 /nfs/dbraw/zinc/73/44/97/369734497.db2.gz OEYSNILQMMMFCU-UHFFFAOYSA-N 0 3 299.418 2.390 20 30 CEEDHN C[C@H]1C[C@@H](CN2CCN(c3ccccc3C#N)CC2)CCO1 ZINC000352700510 369844121 /nfs/dbraw/zinc/84/41/21/369844121.db2.gz QPYQQRIXSPCGPK-HOTGVXAUSA-N 0 3 299.418 2.495 20 30 CEEDHN C#CC(C)(C)N(C)CCOCC(F)(F)C(F)F ZINC000491743638 332321784 /nfs/dbraw/zinc/32/17/84/332321784.db2.gz WOAGZDQMHUNQTG-UHFFFAOYSA-N 0 3 255.255 2.247 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000637322118 369899093 /nfs/dbraw/zinc/89/90/93/369899093.db2.gz PKHMNMAJHSKSLM-CQSZACIVSA-N 0 3 277.412 2.244 20 30 CEEDHN CN(C)Cc1ccc(CNCc2nc(C#N)cs2)cc1 ZINC000352838628 369904549 /nfs/dbraw/zinc/90/45/49/369904549.db2.gz GHRGKYDSCSTTSD-UHFFFAOYSA-N 0 3 286.404 2.366 20 30 CEEDHN Cc1cc(CCNCc2ccc(C#N)cc2F)on1 ZINC000353091348 370014504 /nfs/dbraw/zinc/01/45/04/370014504.db2.gz XGWXFMVSUMLVRI-UHFFFAOYSA-N 0 3 259.284 2.326 20 30 CEEDHN C=CCSCCNCc1ccc(C(=O)NC)cc1 ZINC000222059136 370249166 /nfs/dbraw/zinc/24/91/66/370249166.db2.gz LBIXUSKKFTWQIU-UHFFFAOYSA-N 0 3 264.394 2.055 20 30 CEEDHN C[C@]1(O)CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000231120089 370475226 /nfs/dbraw/zinc/47/52/26/370475226.db2.gz OSIUVIRFPGHUIK-HNNXBMFYSA-N 0 3 262.328 2.434 20 30 CEEDHN C=CC(C)(C)CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000638454777 370543482 /nfs/dbraw/zinc/54/34/82/370543482.db2.gz KBOKSOLPAMTEIQ-IIYDPXPESA-N 0 3 294.439 2.237 20 30 CEEDHN COc1cc(CNC[C@@H](C)SC)ccc1C#N ZINC000234845634 370545695 /nfs/dbraw/zinc/54/56/95/370545695.db2.gz ZHEZBKNTXTYEOK-SNVBAGLBSA-N 0 3 250.367 2.408 20 30 CEEDHN COc1cc(CN[C@H](C)[C@@H]2CCCO2)ccc1C#N ZINC000234949275 370551167 /nfs/dbraw/zinc/55/11/67/370551167.db2.gz WDSUPYNERFBJHX-RISCZKNCSA-N 0 3 260.337 2.224 20 30 CEEDHN C=CCCC1(C(=O)N2CCN(C)CC[C@H]2C)CC1 ZINC000356089150 370622869 /nfs/dbraw/zinc/62/28/69/370622869.db2.gz FMHLLTLYBQANQI-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CC[C@H](C)NC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000247089854 371063063 /nfs/dbraw/zinc/06/30/63/371063063.db2.gz LYFINUHZLGKHQN-RDBSUJKOSA-N 0 3 267.417 2.371 20 30 CEEDHN C=C(CC)CN1CCC(c2ccnn2CCO)CC1 ZINC000358514354 371100138 /nfs/dbraw/zinc/10/01/38/371100138.db2.gz WHTMDBIHZHDABX-UHFFFAOYSA-N 0 3 263.385 2.021 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](c1nccn1C)C1CC1 ZINC000639232364 371125341 /nfs/dbraw/zinc/12/53/41/371125341.db2.gz HBOMWDQCKOQCSF-RDBSUJKOSA-N 0 3 261.369 2.194 20 30 CEEDHN CC[C@H](C)CN(CC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000248369447 371181368 /nfs/dbraw/zinc/18/13/68/371181368.db2.gz WGZMXUYGDILOFN-DZGCQCFKSA-N 0 3 267.417 2.409 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCC(C)(C)CCC#N ZINC000358701004 371181707 /nfs/dbraw/zinc/18/17/07/371181707.db2.gz XVTWVSVOLVPRMR-AWEZNQCLSA-N 0 3 294.443 2.300 20 30 CEEDHN C#C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000248513162 371204195 /nfs/dbraw/zinc/20/41/95/371204195.db2.gz CVZAENUAGNKFQF-CVEARBPZSA-N 0 3 299.418 2.314 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000248533754 371206823 /nfs/dbraw/zinc/20/68/23/371206823.db2.gz ZFTLDNGZZQWOKA-AEDCBLDQSA-N 0 3 267.394 2.012 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@@H](C)C1 ZINC000248591799 371218276 /nfs/dbraw/zinc/21/82/76/371218276.db2.gz ZTWFHFMOUPGOEC-ZIAGYGMSSA-N 0 3 265.401 2.117 20 30 CEEDHN C[C@@H]1CCC[C@@H](N(C)CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000248742920 371240923 /nfs/dbraw/zinc/24/09/23/371240923.db2.gz BWBGVXYUWRHMFC-XNRPHZJLSA-N 0 3 277.412 2.305 20 30 CEEDHN C[C@H](CC[S@](C)=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000252743488 371475841 /nfs/dbraw/zinc/47/58/41/371475841.db2.gz PUGNJEWBMSKQMV-FMTVUPSXSA-N 0 3 264.394 2.366 20 30 CEEDHN N#CC(C(=O)c1ccc2cc[nH]c2n1)c1ccccn1 ZINC000360139952 371507334 /nfs/dbraw/zinc/50/73/34/371507334.db2.gz FPBKFMOHVDRSJW-LLVKDONJSA-N 0 3 262.272 2.448 20 30 CEEDHN C=CCCCCC[N@@H+]1CC[C@H](c2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000639713285 371514616 /nfs/dbraw/zinc/51/46/16/371514616.db2.gz HXHBQJCVBUPITK-LBPRGKRZSA-N 0 3 277.368 2.424 20 30 CEEDHN C=CCCCCC[N@H+]1CC[C@H](c2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000639713285 371514620 /nfs/dbraw/zinc/51/46/20/371514620.db2.gz HXHBQJCVBUPITK-LBPRGKRZSA-N 0 3 277.368 2.424 20 30 CEEDHN C#CC[C@@H](C)NCc1nc2c(s1)CN(C(C)C)CC2 ZINC000359973112 371495906 /nfs/dbraw/zinc/49/59/06/371495906.db2.gz IPNNVSQDJMNTDS-GFCCVEGCSA-N 0 3 277.437 2.411 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000361327907 371784332 /nfs/dbraw/zinc/78/43/32/371784332.db2.gz DPYFRWRJGVBJIV-MRVWCRGKSA-N 0 3 258.321 2.183 20 30 CEEDHN N#Cc1ccc(OC2CCN(CCCCO)CC2)cc1 ZINC000264150515 371980788 /nfs/dbraw/zinc/98/07/88/371980788.db2.gz SUJQGMCJRJYRMM-UHFFFAOYSA-N 0 3 274.364 2.174 20 30 CEEDHN C=CCCCC(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000361630666 371986789 /nfs/dbraw/zinc/98/67/89/371986789.db2.gz NNHOXDVLHSWNMW-KBPBESRZSA-N 0 3 282.453 2.381 20 30 CEEDHN CC(C)(C)[C@H]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000344148985 217076139 /nfs/dbraw/zinc/07/61/39/217076139.db2.gz JXXGOQCJCYDFEP-LSDHHAIUSA-N 0 3 285.391 2.453 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCCC[C@@H]1OC ZINC000361755475 372056724 /nfs/dbraw/zinc/05/67/24/372056724.db2.gz QYZUMFDBPDFQIR-KKUMJFAQSA-N 0 3 282.428 2.347 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274.364 2.172 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cc2ccncc2s1 ZINC000641767879 372707809 /nfs/dbraw/zinc/70/78/09/372707809.db2.gz RVRFZPAIVVXAEG-LBPRGKRZSA-N 0 3 260.362 2.160 20 30 CEEDHN CC#CC[C@H](CO)NCc1c[nH]nc1-c1cccc(C)c1 ZINC000641768961 372710599 /nfs/dbraw/zinc/71/05/99/372710599.db2.gz MSEAYCQWNZSUNM-MRXNPFEDSA-N 0 3 283.375 2.249 20 30 CEEDHN C#CCCN(C)[C@H](CO)c1cccc(Br)c1 ZINC000270936805 373023637 /nfs/dbraw/zinc/02/36/37/373023637.db2.gz IIHGAFGZXRPCNN-CYBMUJFWSA-N 0 3 282.181 2.438 20 30 CEEDHN COC[C@H]1CCN(Cc2ccc(C#N)cc2OC)C1 ZINC000271050528 373092158 /nfs/dbraw/zinc/09/21/58/373092158.db2.gz PQMSTLGDYGCBKO-ZDUSSCGKSA-N 0 3 260.337 2.035 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NCc1cc(C#N)cs1 ZINC000344838682 217327982 /nfs/dbraw/zinc/32/79/82/217327982.db2.gz NXSLQQWYQKZDRS-QMTHXVAHSA-N 0 3 261.394 2.192 20 30 CEEDHN C#CCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271085751 373110065 /nfs/dbraw/zinc/11/00/65/373110065.db2.gz ZIRDICNFHNZAHG-UHFFFAOYSA-N 0 3 273.336 2.130 20 30 CEEDHN COCC[C@@](C)(O)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271916661 373213743 /nfs/dbraw/zinc/21/37/43/373213743.db2.gz CNMAVVVJKSNXFZ-IAQYHMDHSA-N 0 3 280.343 2.135 20 30 CEEDHN CS[C@H](CO)[C@@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000271815560 373203259 /nfs/dbraw/zinc/20/32/59/373203259.db2.gz BLISKZMBEVKQSP-LALPHHSUSA-N 0 3 294.420 2.352 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(C)C[C@H]1c1ccccc1 ZINC000272086195 373300147 /nfs/dbraw/zinc/30/01/47/373300147.db2.gz XEGCKGLFUZPELW-SJORKVTESA-N 0 3 274.408 2.302 20 30 CEEDHN C=CCN(CC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000369145086 373343868 /nfs/dbraw/zinc/34/38/68/373343868.db2.gz TUDNCQDFNPSNTP-INIZCTEOSA-N 0 3 255.365 2.272 20 30 CEEDHN C=CCN(CCc1ccco1)CC1CCS(=O)(=O)CC1 ZINC000272265473 373396853 /nfs/dbraw/zinc/39/68/53/373396853.db2.gz KPZBUNVLEHRMBA-UHFFFAOYSA-N 0 3 297.420 2.135 20 30 CEEDHN CN(CCOc1ccccc1C#N)C[C@H]1CCCC[C@H]1O ZINC000272466436 373499519 /nfs/dbraw/zinc/49/95/19/373499519.db2.gz FCGNKMZAVTTYRJ-HZPDHXFCSA-N 0 3 288.391 2.420 20 30 CEEDHN C#CCOc1ccccc1CN[C@H](C)CCn1cccn1 ZINC000272573786 373557865 /nfs/dbraw/zinc/55/78/65/373557865.db2.gz UCYPVZBFKXQRAJ-OAHLLOKOSA-N 0 3 283.375 2.464 20 30 CEEDHN COC[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)OC ZINC000272653540 373602157 /nfs/dbraw/zinc/60/21/57/373602157.db2.gz GBUMUOKZQUCHLF-ZWNOBZJWSA-N 0 3 266.316 2.009 20 30 CEEDHN C#CCN(C(=O)NCCCN(C)Cc1ccccc1)C1CC1 ZINC000274134054 373822506 /nfs/dbraw/zinc/82/25/06/373822506.db2.gz PXEKNXXITZRUNB-UHFFFAOYSA-N 0 3 299.418 2.316 20 30 CEEDHN CN(C)CCS[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000371941796 374007340 /nfs/dbraw/zinc/00/73/40/374007340.db2.gz DZCVFTSOKMWXPI-LLVKDONJSA-N 0 3 295.433 2.020 20 30 CEEDHN C=CCC[C@@H](O)CN1CC[C@H](O)c2ccccc2C1 ZINC000371822618 373986811 /nfs/dbraw/zinc/98/68/11/373986811.db2.gz MFMFWYAYZUPHCV-ZBFHGGJFSA-N 0 3 261.365 2.253 20 30 CEEDHN C[C@H](NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(C#N)s1 ZINC000372325621 374098989 /nfs/dbraw/zinc/09/89/89/374098989.db2.gz LNAYBAKPVGDWAS-YNEHKIRRSA-N 0 3 291.420 2.134 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)o1 ZINC000373861421 374434274 /nfs/dbraw/zinc/43/42/74/374434274.db2.gz YYCZCDYOLIVKCI-OLZOCXBDSA-N 0 3 287.363 2.032 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000277612555 374579924 /nfs/dbraw/zinc/57/99/24/374579924.db2.gz PYERQCBXCXOZJF-HNNXBMFYSA-N 0 3 277.412 2.387 20 30 CEEDHN N#Cc1cccc(C(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000277755587 374633006 /nfs/dbraw/zinc/63/30/06/374633006.db2.gz CJVGZUHVJUVTJJ-MRXNPFEDSA-N 0 3 283.375 2.305 20 30 CEEDHN CC#CCCN1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000374629810 374618999 /nfs/dbraw/zinc/61/89/99/374618999.db2.gz XEUYLEHSVMJVMZ-AWEZNQCLSA-N 0 3 274.364 2.135 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CCCN(CCCOC)CC1 ZINC000375135336 374643890 /nfs/dbraw/zinc/64/38/90/374643890.db2.gz JZESSVOHPUNISH-HNNXBMFYSA-N 0 3 282.428 2.160 20 30 CEEDHN C=CCCCCCN1CCN([C@H]2CCOC2)CC1 ZINC000375730168 374673274 /nfs/dbraw/zinc/67/32/74/374673274.db2.gz JFXYXZYFLTUAAU-HNNXBMFYSA-N 0 3 252.402 2.139 20 30 CEEDHN C[C@H]1[C@@H](Nc2ccncc2C#N)CCN1Cc1ccccc1 ZINC000377135445 374798577 /nfs/dbraw/zinc/79/85/77/374798577.db2.gz CGZGYHLKOWILHH-YOEHRIQHSA-N 0 3 292.386 2.450 20 30 CEEDHN C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cccc(C#N)c1 ZINC000378448255 375103442 /nfs/dbraw/zinc/10/34/42/375103442.db2.gz CNMPECQNFMUJNX-RKLWJJNISA-N 0 3 283.375 2.218 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000280539519 375237478 /nfs/dbraw/zinc/23/74/78/375237478.db2.gz CVRFBHJUOLGLIS-PWSUYJOCSA-N 0 3 275.352 2.014 20 30 CEEDHN COc1cc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)ccc1C#N ZINC000385090749 375227831 /nfs/dbraw/zinc/22/78/31/375227831.db2.gz GDSKAGYOWLBEIH-JTNHKYCSSA-N 0 3 260.337 2.222 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000280719065 375295396 /nfs/dbraw/zinc/29/53/96/375295396.db2.gz UTGPKOLBQUXOJL-ZDUSSCGKSA-N 0 3 287.363 2.160 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(C(=O)OC)c(C)o1 ZINC000280826732 375334314 /nfs/dbraw/zinc/33/43/14/375334314.db2.gz 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CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419389850 376450055 /nfs/dbraw/zinc/45/00/55/376450055.db2.gz HRHZXLRKBZOART-RGCMKSIDSA-N 0 3 265.401 2.017 20 30 CEEDHN CN(CC(=O)NCc1ccc(C#N)cc1)CC(C)(C)C ZINC000263782828 190078553 /nfs/dbraw/zinc/07/85/53/190078553.db2.gz MEDHDPJIXVQFSZ-UHFFFAOYSA-N 0 3 273.380 2.152 20 30 CEEDHN C[C@H](CNC(=O)NCC1(C#N)CCC1)N1CCC(C)CC1 ZINC000419452890 376454149 /nfs/dbraw/zinc/45/41/49/376454149.db2.gz WVSCJIYHIMOCJV-CQSZACIVSA-N 0 3 292.427 2.100 20 30 CEEDHN CC[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)OC ZINC000289786032 376501784 /nfs/dbraw/zinc/50/17/84/376501784.db2.gz KVEZIRONBBLPOW-MRXNPFEDSA-N 0 3 298.390 2.473 20 30 CEEDHN C#Cc1ccccc1CC(=O)NCCN1CCC(C)CC1 ZINC000289999168 376596342 /nfs/dbraw/zinc/59/63/42/376596342.db2.gz SXWYFPDQMCKZKO-UHFFFAOYSA-N 0 3 284.403 2.059 20 30 CEEDHN CCN1CCCC[C@H]1C(=O)NCC#Cc1ccccc1 ZINC000264304070 190102865 /nfs/dbraw/zinc/10/28/65/190102865.db2.gz SPCRXFYGNUGBAK-INIZCTEOSA-N 0 3 270.376 2.029 20 30 CEEDHN C[C@@H]1[C@@H](Nc2cc(C#N)ncn2)CCN1Cc1ccccc1 ZINC000309751695 376604159 /nfs/dbraw/zinc/60/41/59/376604159.db2.gz WAUDWBQHSQMOCO-CJNGLKHVSA-N 0 3 293.374 2.423 20 30 CEEDHN C[C@H]1[C@H](Nc2cc(C#N)ncn2)CCN1Cc1ccccc1 ZINC000309751697 376604314 /nfs/dbraw/zinc/60/43/14/376604314.db2.gz WAUDWBQHSQMOCO-XJKSGUPXSA-N 0 3 293.374 2.423 20 30 CEEDHN CCCN(CCN1CCCCC1)c1cc(C#N)ncn1 ZINC000557716232 376581303 /nfs/dbraw/zinc/58/13/03/376581303.db2.gz ZPUXCTBOAWAQQX-UHFFFAOYSA-N 0 3 273.384 2.051 20 30 CEEDHN C[C@H](CF)NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000290052318 376620915 /nfs/dbraw/zinc/62/09/15/376620915.db2.gz DQHGRIBSMXIUIV-GFCCVEGCSA-N 0 3 261.344 2.475 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N(C)C[C@@H]1CCCN1C ZINC000420820010 376722622 /nfs/dbraw/zinc/72/26/22/376722622.db2.gz GYUSZKIYQPSONF-KGLIPLIRSA-N 0 3 267.417 2.467 20 30 CEEDHN CC[C@@H](C)N(CCO)Cc1cc(C#N)ccc1OC ZINC000311811516 376689179 /nfs/dbraw/zinc/68/91/79/376689179.db2.gz GQLUWIJMTNRVSP-GFCCVEGCSA-N 0 3 262.353 2.160 20 30 CEEDHN CC#CCN1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420923046 376737776 /nfs/dbraw/zinc/73/77/76/376737776.db2.gz HARCGIODIGKNQK-STQMWFEESA-N 0 3 251.370 2.452 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccc(Br)cn1 ZINC000320219805 376821267 /nfs/dbraw/zinc/82/12/67/376821267.db2.gz GTAZMFGPSINYFY-GFCCVEGCSA-N 0 3 285.185 2.261 20 30 CEEDHN N#Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cc1 ZINC000319191591 376815992 /nfs/dbraw/zinc/81/59/92/376815992.db2.gz ORYMEWUBJZFUCM-DLBZAZTESA-N 0 3 291.354 2.125 20 30 CEEDHN O=C(N[C@@H]1CCc2c[nH]nc2C1)C1CCN(C2CC2)CC1 ZINC000328712468 376883052 /nfs/dbraw/zinc/88/30/52/376883052.db2.gz CHRFVINMOFGQIH-CYBMUJFWSA-N 0 3 288.395 2.098 20 30 CEEDHN Cc1nc(C[C@@H]2CCCN([C@@H]3CC[C@@H](C#N)C3)C2)no1 ZINC000328826286 376904502 /nfs/dbraw/zinc/90/45/02/376904502.db2.gz JFNWPCMJNKSGEF-HZSPNIEDSA-N 0 3 274.368 2.325 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000562701260 376974904 /nfs/dbraw/zinc/97/49/04/376974904.db2.gz FMNKLQJDYSEEJC-YESZJQIVSA-N 0 3 297.402 2.262 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC=C(c2ccccn2)C1 ZINC000562477393 376907400 /nfs/dbraw/zinc/90/74/00/376907400.db2.gz KAULYWIAEZLXQW-OAHLLOKOSA-N 0 3 258.365 2.498 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)[C@H]2CCn3cncc3C2)CN1C1CC1 ZINC000328951800 376927685 /nfs/dbraw/zinc/92/76/85/376927685.db2.gz NQZJDEKYBMNHND-AGIUHOORSA-N 0 3 288.395 2.027 20 30 CEEDHN CC[C@H](NC(=O)N[C@H](C)C1=CCN(C)CC1)[C@H]1CCCO1 ZINC000329351105 376951089 /nfs/dbraw/zinc/95/10/89/376951089.db2.gz UAFVRRGKTMRTGG-VHDGCEQUSA-N 0 3 295.427 2.098 20 30 CEEDHN C[C@H](NC(=O)[C@H](C)OC[C@H]1CCCO1)C1=CCN(C)CC1 ZINC000329349097 376951562 /nfs/dbraw/zinc/95/15/62/376951562.db2.gz SMFRVZUJOUWYCT-KCQAQPDRSA-N 0 3 296.411 2.177 20 30 CEEDHN O=C(NCCc1cnccn1)[C@@H]1CCCN1C1CCCC1 ZINC000329379866 376956086 /nfs/dbraw/zinc/95/60/86/376956086.db2.gz NEDLEQRQXGHZAR-HNNXBMFYSA-N 0 3 288.395 2.383 20 30 CEEDHN CC[C@@H]1C[C@H](C(=O)NCC2=CCN(C)CC2)CC(=O)N1 ZINC000329412274 376962306 /nfs/dbraw/zinc/96/23/06/376962306.db2.gz FDQMLNNIUIKVLA-QWHCGFSZSA-N 0 3 279.384 2.350 20 30 CEEDHN C#CCN(C)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000290981832 377012994 /nfs/dbraw/zinc/01/29/94/377012994.db2.gz JZDVBHQEXSAYDB-AWEZNQCLSA-N 0 3 287.407 2.390 20 30 CEEDHN CN1CC=C(CNc2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000290928773 376989262 /nfs/dbraw/zinc/98/92/62/376989262.db2.gz JNKVNXXGOLFJBL-UHFFFAOYSA-N 0 3 272.308 2.140 20 30 CEEDHN CC#CCN[C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291183112 377110156 /nfs/dbraw/zinc/11/01/56/377110156.db2.gz HZVDXVHWVQUZIK-ZDUSSCGKSA-N 0 3 271.364 2.280 20 30 CEEDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccc(C#N)cn1 ZINC000563357600 377183071 /nfs/dbraw/zinc/18/30/71/377183071.db2.gz WQRMHEWIAWFCQZ-GDBMZVCRSA-N 0 3 287.363 2.165 20 30 CEEDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccc(C#N)cn1 ZINC000563357603 377184226 /nfs/dbraw/zinc/18/42/26/377184226.db2.gz WQRMHEWIAWFCQZ-GOEBONIOSA-N 0 3 287.363 2.165 20 30 CEEDHN Cc1nnc(SC[C@H](C)N(C)C)c(C#N)c1C ZINC000331071190 377268253 /nfs/dbraw/zinc/26/82/53/377268253.db2.gz DBXRNCIKBGGSMP-QMMMGPOBSA-N 0 3 250.371 2.007 20 30 CEEDHN CO[C@H]1C[C@H](NCc2ccc(C#N)cn2)C12CCC2 ZINC000563510448 377238290 /nfs/dbraw/zinc/23/82/90/377238290.db2.gz LZRQLUDEAIMALF-KBPBESRZSA-N 0 3 257.337 2.000 20 30 CEEDHN C[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)N1[C@H](C)CC[C@H]1C ZINC000424975500 377318743 /nfs/dbraw/zinc/31/87/43/377318743.db2.gz HWRQMKDZXFLVCF-PEBLQZBPSA-N 0 3 263.385 2.056 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1C[C@H](C)[C@H]1C ZINC000292867609 377322687 /nfs/dbraw/zinc/32/26/87/377322687.db2.gz ATZHPCGHIUUKSB-NWDGAFQWSA-N 0 3 260.337 2.286 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1C[C@H](C)[C@@H]1C ZINC000292867612 377323163 /nfs/dbraw/zinc/32/31/63/377323163.db2.gz ATZHPCGHIUUKSB-RYUDHWBXSA-N 0 3 260.337 2.286 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@H](O)[C@@H](C)CC ZINC000264901683 190143102 /nfs/dbraw/zinc/14/31/02/190143102.db2.gz ZIPYCBQMUTVDDO-DZGCQCFKSA-N 0 3 261.365 2.195 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000424759854 377291688 /nfs/dbraw/zinc/29/16/88/377291688.db2.gz WOGFDQBUSNSZFM-RYUDHWBXSA-N 0 3 270.442 2.093 20 30 CEEDHN C=CCOCCN1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000292823851 377298937 /nfs/dbraw/zinc/29/89/37/377298937.db2.gz OEMGNJMUKAQOHB-KBPBESRZSA-N 0 3 265.353 2.370 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](C)C[C@H]1C ZINC000425522706 377362056 /nfs/dbraw/zinc/36/20/56/377362056.db2.gz NNCRSXAOFPLJKL-MGPQQGTHSA-N 0 3 265.401 2.115 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)CCC(=O)N(C)C ZINC000425540440 377369696 /nfs/dbraw/zinc/36/96/96/377369696.db2.gz VIIJKYHSOHTPBC-GFCCVEGCSA-N 0 3 259.353 2.029 20 30 CEEDHN CCCN(CCN1CCCC1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425861931 377383435 /nfs/dbraw/zinc/38/34/35/377383435.db2.gz MCHDIEZCXBSDNK-LSDHHAIUSA-N 0 3 292.427 2.196 20 30 CEEDHN C#CCNC(=O)CCN1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000292904188 377343423 /nfs/dbraw/zinc/34/34/23/377343423.db2.gz WHRFYVBHAPYNLW-BBRMVZONSA-N 0 3 288.366 2.348 20 30 CEEDHN C#CCN(C)CCCNc1ncc(Cl)c(C)c1C#N ZINC000292909574 377345537 /nfs/dbraw/zinc/34/55/37/377345537.db2.gz XJBPMKRKBPMOHR-UHFFFAOYSA-N 0 3 276.771 2.282 20 30 CEEDHN COc1cc(Br)ccc1CNC(=O)C(C)C#N ZINC000428264788 377487607 /nfs/dbraw/zinc/48/76/07/377487607.db2.gz MFMKUIXAIDRMBA-QMMMGPOBSA-N 0 3 297.152 2.234 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@H](O)[C@H](C)C2)cc1 ZINC000428466217 377494286 /nfs/dbraw/zinc/49/42/86/377494286.db2.gz WKYCMMGVAJISNH-CJNGLKHVSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCCCN1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428700446 377498379 /nfs/dbraw/zinc/49/83/79/377498379.db2.gz LHHWNGCYPJYDOW-UHFFFAOYSA-N 0 3 271.426 2.243 20 30 CEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccccc1 ZINC000429717478 377518712 /nfs/dbraw/zinc/51/87/12/377518712.db2.gz MCKYKHDMDOTPRE-UHFFFAOYSA-N 0 3 275.396 2.065 20 30 CEEDHN C[C@@H]1[C@@H](C)CN1CCC(=O)Nc1ccccc1C#N ZINC000293399772 377551787 /nfs/dbraw/zinc/55/17/87/377551787.db2.gz LNRXCQLFTJRPHO-NWDGAFQWSA-N 0 3 257.337 2.227 20 30 CEEDHN CC[C@@](C)(C#N)NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000565181492 377591650 /nfs/dbraw/zinc/59/16/50/377591650.db2.gz MFZKTRBMGYAMQT-RDJZCZTQSA-N 0 3 285.391 2.317 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000265659934 190198179 /nfs/dbraw/zinc/19/81/79/190198179.db2.gz XDLQYRARVNMQGJ-IPYPFGDCSA-N 0 3 288.366 2.141 20 30 CEEDHN C#CCNC(=O)CCN[C@H](CC)c1ccc(F)cc1F ZINC000265666812 190198847 /nfs/dbraw/zinc/19/88/47/190198847.db2.gz UMRNWRSUWQQOQX-CQSZACIVSA-N 0 3 280.318 2.145 20 30 CEEDHN CC[C@@H](O)[C@@H](CC)NCc1ccc(C#N)cc1F ZINC000313153677 249386415 /nfs/dbraw/zinc/38/64/15/249386415.db2.gz ARRBQKCFECZFCN-ZIAGYGMSSA-N 0 3 250.317 2.336 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C2CC2)C1 ZINC000332782744 377699665 /nfs/dbraw/zinc/69/96/65/377699665.db2.gz ZRAKCCZIUMWETH-DZGCQCFKSA-N 0 3 289.423 2.449 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000333537338 377776909 /nfs/dbraw/zinc/77/69/09/377776909.db2.gz KIZKXKOQKWQCAI-HACGYAERSA-N 0 3 287.407 2.059 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCC(F)(F)F ZINC000433232698 377781769 /nfs/dbraw/zinc/78/17/69/377781769.db2.gz MSGLTAWYMUTETQ-NSHDSACASA-N 0 3 270.254 2.437 20 30 CEEDHN CC(=O)NCCN(C)Cc1ccccc1C(C)(C)C#N ZINC000566186170 377742768 /nfs/dbraw/zinc/74/27/68/377742768.db2.gz IVSXHLQPPXZSMX-UHFFFAOYSA-N 0 3 273.380 2.056 20 30 CEEDHN COC[C@@H](C)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433301242 377783815 /nfs/dbraw/zinc/78/38/15/377783815.db2.gz GDPIWFCPLODHFP-UKRRQHHQSA-N 0 3 274.364 2.252 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ncc(COC)s1 ZINC000435724946 377809473 /nfs/dbraw/zinc/80/94/73/377809473.db2.gz FCEGLZBDQUBFIS-RISCZKNCSA-N 0 3 282.409 2.360 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(OC)cc(C)n1 ZINC000435744839 377810656 /nfs/dbraw/zinc/81/06/56/377810656.db2.gz ZOFKXGKVSHKKGT-XJKSGUPXSA-N 0 3 276.380 2.469 20 30 CEEDHN CC(C)(C)C(=O)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433372730 377791100 /nfs/dbraw/zinc/79/11/00/377791100.db2.gz AZCJIRJOGILQRJ-AWEZNQCLSA-N 0 3 286.375 2.490 20 30 CEEDHN CC[C@H](C)[C@@H](O)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433380831 377792048 /nfs/dbraw/zinc/79/20/48/377792048.db2.gz FTVCSXWAIDZZRR-BPUTZDHNSA-N 0 3 288.391 2.282 20 30 CEEDHN C[C@@H](C#N)CN(C)C(=O)[C@@H]1CCCN1C1CCCC1 ZINC000440125394 377928474 /nfs/dbraw/zinc/92/84/74/377928474.db2.gz ZEOPUMQPVWMKMZ-JSGCOSHPSA-N 0 3 263.385 2.011 20 30 CEEDHN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)C(C)C#N ZINC000440039445 377928967 /nfs/dbraw/zinc/92/89/67/377928967.db2.gz XCYAUYFCQORZIP-CJNGLKHVSA-N 0 3 274.364 2.336 20 30 CEEDHN COC[C@]1(C)CCN(Cc2ccc(C#N)s2)C1 ZINC000294690566 378011821 /nfs/dbraw/zinc/01/18/21/378011821.db2.gz BTAODMJYRPFBJF-CYBMUJFWSA-N 0 3 250.367 2.478 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(CN3CCOCC3)cc2)C1 ZINC000442641234 377974464 /nfs/dbraw/zinc/97/44/64/377974464.db2.gz CWHLABSKPRLWRY-QZTJIDSGSA-N 0 3 299.418 2.301 20 30 CEEDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@@H]1CC[C@@H](C#N)C1 ZINC000442818807 378003098 /nfs/dbraw/zinc/00/30/98/378003098.db2.gz IZWZLIMDGZQZOU-UMVBOHGHSA-N 0 3 296.374 2.067 20 30 CEEDHN C#CCN(C)CCCN[C@@H](C)c1cc(C(=O)OC)cs1 ZINC000294916844 378028263 /nfs/dbraw/zinc/02/82/63/378028263.db2.gz GPGZEPLIFQRFJI-LBPRGKRZSA-N 0 3 294.420 2.140 20 30 CEEDHN C=CCC[C@@H](O)CN(C)Cc1ncc(C)c(OC)c1C ZINC000295151682 378044632 /nfs/dbraw/zinc/04/46/32/378044632.db2.gz MBQGBNCHDCJBDL-CQSZACIVSA-N 0 3 278.396 2.466 20 30 CEEDHN CC(C#N)C(=O)NC(C)(C)CCC(=O)OC(C)(C)C ZINC000446233117 378084949 /nfs/dbraw/zinc/08/49/49/378084949.db2.gz DXEVYPXNAKCQHP-SNVBAGLBSA-N 0 3 268.357 2.163 20 30 CEEDHN C=CCCCCNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000445976894 378082857 /nfs/dbraw/zinc/08/28/57/378082857.db2.gz GUJSCGKKVWWZKA-UHFFFAOYSA-N 0 3 267.417 2.468 20 30 CEEDHN COCCCOc1cc(C)ccc1CNC(=O)C(C)C#N ZINC000446504343 378086557 /nfs/dbraw/zinc/08/65/57/378086557.db2.gz KRYNBVLHVDXNME-ZDUSSCGKSA-N 0 3 290.363 2.186 20 30 CEEDHN CCCCN1CCCC[C@@H]1CNC(=O)[C@@]1(C#N)C[C@@H]1C ZINC000448842619 378189494 /nfs/dbraw/zinc/18/94/94/378189494.db2.gz DVCBPXPOGFGBKQ-SQWLQELKSA-N 0 3 277.412 2.307 20 30 CEEDHN C=CCC1(C(=O)NCCN(C)CCOC)CCCCC1 ZINC000448878954 378190649 /nfs/dbraw/zinc/19/06/49/378190649.db2.gz WENPLQLARMSPIB-UHFFFAOYSA-N 0 3 282.428 2.207 20 30 CEEDHN COC[C@@]1(C)CCN(Cc2cc(C#N)cs2)C1 ZINC000449391039 378211177 /nfs/dbraw/zinc/21/11/77/378211177.db2.gz HLZDGVOSZKFYDS-ZDUSSCGKSA-N 0 3 250.367 2.478 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@](CO)(COC)C2)cc1 ZINC000449697251 378222162 /nfs/dbraw/zinc/22/21/62/378222162.db2.gz LFIRYZOSLPAENI-KRWDZBQOSA-N 0 3 291.391 2.082 20 30 CEEDHN C=C[C@H](C)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000450095394 378290585 /nfs/dbraw/zinc/29/05/85/378290585.db2.gz AGKFKVBUTLGNRH-GXTWGEPZSA-N 0 3 250.386 2.474 20 30 CEEDHN C=C(C)COCCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000450132941 378303563 /nfs/dbraw/zinc/30/35/63/378303563.db2.gz FUPSNRQPUGFRDO-MRXNPFEDSA-N 0 3 294.439 2.492 20 30 CEEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)[C@]1(C#N)C[C@H]1C ZINC000450195823 378319125 /nfs/dbraw/zinc/31/91/25/378319125.db2.gz VYXURGNOMLWJLZ-FMKPAKJESA-N 0 3 277.412 2.163 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNc1nccc(C#N)n1 ZINC000450326761 378356314 /nfs/dbraw/zinc/35/63/14/378356314.db2.gz ZRBQPQFGOCQRNW-RYUDHWBXSA-N 0 3 259.357 2.023 20 30 CEEDHN COC1([C@@H](C)NCc2ccc(C#N)c(F)c2)CCOCC1 ZINC000453395568 378885190 /nfs/dbraw/zinc/88/51/90/378885190.db2.gz XJJHIJKESHPGSS-GFCCVEGCSA-N 0 3 292.354 2.371 20 30 CEEDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccccc1C#N ZINC000278616402 194071115 /nfs/dbraw/zinc/07/11/15/194071115.db2.gz JPJJBYUTFISCOX-OAHLLOKOSA-N 0 3 299.418 2.243 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(OCC)c(F)c1 ZINC000278771227 194148511 /nfs/dbraw/zinc/14/85/11/194148511.db2.gz OTULNQVWNTURCH-GFCCVEGCSA-N 0 3 253.317 2.251 20 30 CEEDHN Cc1ccc2oc(CNC(=O)[C@@H](N)CCCC#N)cc2c1 ZINC000515672905 379237514 /nfs/dbraw/zinc/23/75/14/379237514.db2.gz MKBMPSKFTXNKBJ-AWEZNQCLSA-N 0 3 285.347 2.379 20 30 CEEDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(C#N)cc1 ZINC000278935846 194219169 /nfs/dbraw/zinc/21/91/69/194219169.db2.gz WVYRUVPDIKJZJM-HNNXBMFYSA-N 0 3 299.418 2.243 20 30 CEEDHN CC1(C)CCCN[C@@H]1C(=O)NCc1ccc(CC#N)cc1 ZINC000521437988 379530616 /nfs/dbraw/zinc/53/06/16/379530616.db2.gz KJAFUWPTVRESSK-OAHLLOKOSA-N 0 3 285.391 2.147 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(CCC(C)(C)C)CC1 ZINC000305096032 379634104 /nfs/dbraw/zinc/63/41/04/379634104.db2.gz SMJDXVNDUCGDAC-HNNXBMFYSA-N 0 3 268.445 2.367 20 30 CEEDHN C[C@H]1CCN(CCNC(=O)Nc2cccc(C#N)c2)C1 ZINC000525800552 379671534 /nfs/dbraw/zinc/67/15/34/379671534.db2.gz MXKIZGWPNXQVGC-LBPRGKRZSA-N 0 3 272.352 2.022 20 30 CEEDHN CN(c1ccc(Cl)c(C#N)n1)[C@H]1CCCN(C)C1 ZINC000267238084 190313943 /nfs/dbraw/zinc/31/39/43/190313943.db2.gz REZWMYOEEMXMJX-JTQLQIEISA-N 0 3 264.760 2.137 20 30 CEEDHN C[C@H](C(=O)NC(C)(C)CN(C)C)c1cccc(C#N)c1 ZINC000457242102 379723823 /nfs/dbraw/zinc/72/38/23/379723823.db2.gz PAADYJUYQMOLMI-LBPRGKRZSA-N 0 3 273.380 2.118 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@H](C)[C@H]1CO ZINC000305700295 379732803 /nfs/dbraw/zinc/73/28/03/379732803.db2.gz BIVXGCPGOYFEMM-SWLSCSKDSA-N 0 3 274.364 2.160 20 30 CEEDHN C=CCCN(C)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528470224 379979662 /nfs/dbraw/zinc/97/96/62/379979662.db2.gz MMMXZPIFLGKPQQ-CQSZACIVSA-N 0 3 250.386 2.428 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000468475217 380069113 /nfs/dbraw/zinc/06/91/13/380069113.db2.gz NNKZBRSNHYCCFE-QLFBSQMISA-N 0 3 294.439 2.204 20 30 CEEDHN OC[C@H]1CCC2(CCOCC2)CN1CC#Cc1ccccc1 ZINC000528646982 380039863 /nfs/dbraw/zinc/03/98/63/380039863.db2.gz ZFOAWHJYFKOJHN-GOSISDBHSA-N 0 3 299.414 2.292 20 30 CEEDHN COCCOC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000488420255 380095059 /nfs/dbraw/zinc/09/50/59/380095059.db2.gz QJSTVEOSTUQSLX-UHFFFAOYSA-N 0 3 288.391 2.494 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530022046 380192817 /nfs/dbraw/zinc/19/28/17/380192817.db2.gz HIAWOTPMTVJYJM-CYBMUJFWSA-N 0 3 250.386 2.332 20 30 CEEDHN CCCN(CCN(C)C)C(=O)c1cccc(F)c1C#N ZINC000489027767 380154585 /nfs/dbraw/zinc/15/45/85/380154585.db2.gz OOVZJDDZVAIBCA-UHFFFAOYSA-N 0 3 277.343 2.111 20 30 CEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C1(C#N)CC(C)C1 ZINC000532065551 380211742 /nfs/dbraw/zinc/21/17/42/380211742.db2.gz CWZCVHYPTYJUJJ-SFKIEKTPSA-N 0 3 291.439 2.409 20 30 CEEDHN CC(C)(C)OC(=O)CCN1CCC(CC#N)CC1 ZINC000542882587 380321389 /nfs/dbraw/zinc/32/13/89/380321389.db2.gz ADELFWKRMFNVOK-UHFFFAOYSA-N 0 3 252.358 2.344 20 30 CEEDHN C=CCCCN(C)C(=O)CCN(C)c1ccncc1 ZINC000541857037 380281290 /nfs/dbraw/zinc/28/12/90/380281290.db2.gz YUCIDCIESXGFCH-UHFFFAOYSA-N 0 3 261.369 2.333 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Cc1cccc(C#N)c1 ZINC000548404558 380513232 /nfs/dbraw/zinc/51/32/32/380513232.db2.gz QBZMTVUGJNSUGW-INIZCTEOSA-N 0 3 299.418 2.337 20 30 CEEDHN C=C(C)Cn1c(CC)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000555191370 380813776 /nfs/dbraw/zinc/81/37/76/380813776.db2.gz JJIFYGWLOYHDFB-UONOGXRCSA-N 0 3 291.443 2.336 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C ZINC000556092470 380871551 /nfs/dbraw/zinc/87/15/51/380871551.db2.gz WIVWFFVJRIXXFQ-HOCLYGCPSA-N 0 3 261.365 2.215 20 30 CEEDHN C=C[C@@](C)(O)CC(=O)Nc1cccc(CN(C)C)c1 ZINC000279224974 194340964 /nfs/dbraw/zinc/34/09/64/194340964.db2.gz OCNUXFALOZCRSK-OAHLLOKOSA-N 0 3 262.353 2.014 20 30 CEEDHN C=C(C)CN(Cc1ccccc1)C(=O)C(C)S(C)(=O)=O ZINC000279352950 194396133 /nfs/dbraw/zinc/39/61/33/194396133.db2.gz GJKOVNIRTIYSJV-CYBMUJFWSA-N 0 3 295.404 2.024 20 30 CEEDHN C=CCOCCN1CCCC[C@H]1COC(=O)NCCC ZINC000495794693 381186296 /nfs/dbraw/zinc/18/62/96/381186296.db2.gz URZRLICUBHURQP-AWEZNQCLSA-N 0 3 284.400 2.180 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495913642 381190274 /nfs/dbraw/zinc/19/02/74/381190274.db2.gz WSLXNUCJVFMVPQ-IJLUTSLNSA-N 0 3 295.383 2.050 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000280817876 194987497 /nfs/dbraw/zinc/98/74/97/194987497.db2.gz URGBMBHTMPAUCM-GFCCVEGCSA-N 0 3 277.368 2.166 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000335251878 208030626 /nfs/dbraw/zinc/03/06/26/208030626.db2.gz WKPDHNRCEWXMAI-GHMZBOCLSA-N 0 3 272.352 2.081 20 30 CEEDHN C[C@@H]1CN(Cc2cc(C#N)ccc2F)[C@H](C)CN1C ZINC000335328402 208199816 /nfs/dbraw/zinc/19/98/16/208199816.db2.gz LJKKJZYHDIRZAS-VXGBXAGGSA-N 0 3 261.344 2.222 20 30 CEEDHN CCC[C@@]1(CO)CCN(CCOc2ccc(C#N)cc2)C1 ZINC000288982202 197205245 /nfs/dbraw/zinc/20/52/45/197205245.db2.gz ZKOXIQJWOFXSRA-QGZVFWFLSA-N 0 3 288.391 2.422 20 30 CEEDHN COCCOCCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000288743907 197156051 /nfs/dbraw/zinc/15/60/51/197156051.db2.gz FYXUXPXUGXANNE-ZDUSSCGKSA-N 0 3 262.353 2.214 20 30 CEEDHN C[C@H]1[C@H](Nc2nccnc2C#N)CCN1Cc1ccccc1 ZINC000288223659 197030566 /nfs/dbraw/zinc/03/05/66/197030566.db2.gz MUPDIJIXUIYVPE-DZGCQCFKSA-N 0 3 293.374 2.423 20 30 CEEDHN C=C(CC)CNC(=O)Nc1cccc2c1CCNC2 ZINC000575023495 335056635 /nfs/dbraw/zinc/05/66/35/335056635.db2.gz JVAXPYXQWFLRGA-UHFFFAOYSA-N 0 3 259.353 2.420 20 30 CEEDHN O[C@@H]1CC[C@@H]2CN(CC#Cc3cccc(Cl)c3)C[C@H]12 ZINC000344099525 285324243 /nfs/dbraw/zinc/32/42/43/285324243.db2.gz YMDSEDHXDWYFHU-VNQPRFMTSA-N 0 3 275.779 2.394 20 30 CEEDHN CN1CCN(CCNc2ccc(C#N)cc2F)CC1(C)C ZINC000281763341 195371067 /nfs/dbraw/zinc/37/10/67/195371067.db2.gz YYHPNNYZUWGSAD-UHFFFAOYSA-N 0 3 290.386 2.135 20 30 CEEDHN COC(=O)CCC(C)(C)NCc1cccc(C#N)c1 ZINC000357752245 533343657 /nfs/dbraw/zinc/34/36/57/533343657.db2.gz JJRCOMROKRDUOX-UHFFFAOYSA-N 0 3 260.337 2.380 20 30 CEEDHN Cn1cc(CNC[C@@H](O)c2ccc(Cl)cc2)cc1C#N ZINC000190718830 130139317 /nfs/dbraw/zinc/13/93/17/130139317.db2.gz OUVQBIBFUSKOMO-OAHLLOKOSA-N 0 3 289.766 2.373 20 30 CEEDHN C[C@H](C[C@@H](O)c1ccccc1)NCc1cc(C#N)n(C)c1 ZINC000191513640 130247058 /nfs/dbraw/zinc/24/70/58/130247058.db2.gz LMBQOVZUXXLUFN-CXAGYDPISA-N 0 3 283.375 2.499 20 30 CEEDHN C[C@H](CC[S@](C)=O)N[C@H](C)c1cccc(C#N)c1 ZINC000252745106 131138348 /nfs/dbraw/zinc/13/83/48/131138348.db2.gz UCSYKNGCUTXQGW-FMTVUPSXSA-N 0 3 264.394 2.366 20 30 CEEDHN C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@H](C)N1 ZINC000094336445 135086565 /nfs/dbraw/zinc/08/65/65/135086565.db2.gz KZLWRAFEWYUUDS-DTORHVGOSA-N 0 3 284.285 2.159 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@H](N)[C@H](C)CC ZINC000236986839 394489748 /nfs/dbraw/zinc/48/97/48/394489748.db2.gz RIAQRVDSGSIZHF-IUODEOHRSA-N 0 3 276.380 2.241 20 30 CEEDHN Cn1cc(CN[C@@H](CO)CCC(C)(C)C)cc1C#N ZINC000355683843 394501389 /nfs/dbraw/zinc/50/13/89/394501389.db2.gz UCLZWJVHSMBPGV-CYBMUJFWSA-N 0 3 263.385 2.174 20 30 CEEDHN CC[C@@H](C)[C@H](O)CNCc1ccc(C#N)c(F)c1 ZINC000421331000 394501675 /nfs/dbraw/zinc/50/16/75/394501675.db2.gz YZEDIEXPSFANPD-QMTHXVAHSA-N 0 3 250.317 2.194 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2F)CC1 ZINC000413246987 394511789 /nfs/dbraw/zinc/51/17/89/394511789.db2.gz UXXKAVLVUAJPDG-ZIAGYGMSSA-N 0 3 283.391 2.217 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](c2ccccc2)C1 ZINC000250207369 394562371 /nfs/dbraw/zinc/56/23/71/394562371.db2.gz KHVIPEPDXZOIJF-GOEBONIOSA-N 0 3 285.391 2.236 20 30 CEEDHN N#Cc1ccc(CNCc2ccc(NC(N)=O)cc2)cc1 ZINC000069676781 394585551 /nfs/dbraw/zinc/58/55/51/394585551.db2.gz WSENJNJIZUBBNS-UHFFFAOYSA-N 0 3 280.331 2.339 20 30 CEEDHN Cc1csc(NC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)n1 ZINC000329815624 394587236 /nfs/dbraw/zinc/58/72/36/394587236.db2.gz VJEDHGWIGCYVGP-LDYMZIIASA-N 0 3 280.397 2.260 20 30 CEEDHN CCNC(=O)C1(CNCc2ccc(C#N)c(F)c2)CCC1 ZINC000421390718 394522171 /nfs/dbraw/zinc/52/21/71/394522171.db2.gz MJDIZTRQWXYSFE-UHFFFAOYSA-N 0 3 289.354 2.093 20 30 CEEDHN C=CC[C@@H](CO)CNCc1ccc(Br)o1 ZINC000308947203 394531251 /nfs/dbraw/zinc/53/12/51/394531251.db2.gz SQRZZZTYJCPHAN-SECBINFHSA-N 0 3 274.158 2.316 20 30 CEEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)C(C)(C)C#N)C1 ZINC000048920247 394537231 /nfs/dbraw/zinc/53/72/31/394537231.db2.gz NMEFHGHBPRYMEN-GFCCVEGCSA-N 0 3 265.401 2.163 20 30 CEEDHN N#Cc1ccc(C(=O)NC[C@H]2NCCc3ccccc32)cc1 ZINC000318912646 394545382 /nfs/dbraw/zinc/54/53/82/394545382.db2.gz SSTOAZQQUHWKSY-QGZVFWFLSA-N 0 3 291.354 2.175 20 30 CEEDHN CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CC[C@H](C#N)C1 ZINC000328612142 394554240 /nfs/dbraw/zinc/55/42/40/394554240.db2.gz PASJUZMXDGOORD-XGUBFFRZSA-N 0 3 288.395 2.405 20 30 CEEDHN Cn1nccc1CCC(=O)NCCN1CCCC(C)(C)C1 ZINC000329961638 394598287 /nfs/dbraw/zinc/59/82/87/394598287.db2.gz RRPYXAWMGBNVPW-UHFFFAOYSA-N 0 3 292.427 2.431 20 30 CEEDHN Cc1ccccc1C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000330384865 394603501 /nfs/dbraw/zinc/60/35/01/394603501.db2.gz ZZPAIYNCUCOTGN-OAHLLOKOSA-N 0 3 290.407 2.392 20 30 CEEDHN COc1cc(C(=O)NCCN2CCC(C)CC2)cc(C)n1 ZINC000330389783 394604458 /nfs/dbraw/zinc/60/44/58/394604458.db2.gz YIHHYNOYQQJWDC-UHFFFAOYSA-N 0 3 291.395 2.435 20 30 CEEDHN CCCN1CCC(NC(=O)c2snnc2C)CC1 ZINC000330561400 394618725 /nfs/dbraw/zinc/61/87/25/394618725.db2.gz KAAWURVRGNQAIF-UHFFFAOYSA-N 0 3 268.386 2.026 20 30 CEEDHN CC(C)CNC(=O)NC(=O)CN1CCC[C@H]1C(C)(C)C ZINC000330624705 394622675 /nfs/dbraw/zinc/62/26/75/394622675.db2.gz RUAKFMXWGMIFDA-LBPRGKRZSA-N 0 3 283.416 2.183 20 30 CEEDHN CC(C)[C@H]1CCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330640369 394623750 /nfs/dbraw/zinc/62/37/50/394623750.db2.gz COOPUKLNMASOLQ-UKRRQHHQSA-N 0 3 265.401 2.161 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)c1ccc(CC#N)cc1 ZINC000270530123 394735712 /nfs/dbraw/zinc/73/57/12/394735712.db2.gz ODDBCGDIHIICJI-UHFFFAOYSA-N 0 3 273.380 2.165 20 30 CEEDHN C[C@H](CNC(=O)C(C)(C)C#N)N(C)Cc1ccccc1 ZINC000110350543 394736184 /nfs/dbraw/zinc/73/61/84/394736184.db2.gz VKCGGJPSMJEHGV-CYBMUJFWSA-N 0 3 273.380 2.173 20 30 CEEDHN CC(C#N)C(=O)NCc1ccncc1OCc1ccccc1 ZINC000359132196 394741853 /nfs/dbraw/zinc/74/18/53/394741853.db2.gz LNFXPPVJRFROTH-CYBMUJFWSA-N 0 3 295.342 2.436 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000334303817 394672904 /nfs/dbraw/zinc/67/29/04/394672904.db2.gz BVOPHSVKKKGLHD-OLZOCXBDSA-N 0 3 285.347 2.023 20 30 CEEDHN CC(C#N)C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000334445712 394685836 /nfs/dbraw/zinc/68/58/36/394685836.db2.gz OTBYCZUPZOHVEL-NSHDSACASA-N 0 3 293.317 2.163 20 30 CEEDHN CC(C)[C@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)CCN1C ZINC000357708738 394703042 /nfs/dbraw/zinc/70/30/42/394703042.db2.gz TYGIOUBYGDMQOH-OAHLLOKOSA-N 0 3 288.351 2.243 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CCC1 ZINC000359299848 394747060 /nfs/dbraw/zinc/74/70/60/394747060.db2.gz HHEWTBILTVZXFE-STQMWFEESA-N 0 3 250.386 2.332 20 30 CEEDHN CN(CCN1CCCC1)C(=O)/C=C/c1cccc(C#N)c1 ZINC000103117669 394712344 /nfs/dbraw/zinc/71/23/44/394712344.db2.gz GMZAXXYFKKHJTN-BQYQJAHWSA-N 0 3 283.375 2.126 20 30 CEEDHN C=CCCC[C@H](C)N1CCN(c2cc(OC)ncn2)CC1 ZINC000359572999 394763024 /nfs/dbraw/zinc/76/30/24/394763024.db2.gz TWIXVTBANRDMMN-AWEZNQCLSA-N 0 3 290.411 2.352 20 30 CEEDHN CCc1ccc([C@@H]2CN(C(=O)C(C)C#N)CCO2)cc1 ZINC000335753598 394796787 /nfs/dbraw/zinc/79/67/87/394796787.db2.gz JOGGMMKBWNDLOQ-DOMZBBRYSA-N 0 3 272.348 2.309 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H]3CCC[C@H]32)CC1 ZINC000335848628 394803675 /nfs/dbraw/zinc/80/36/75/394803675.db2.gz ZJVOWUJPCBVYKJ-DZGCQCFKSA-N 0 3 277.412 2.221 20 30 CEEDHN C#CCCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000281906594 394872949 /nfs/dbraw/zinc/87/29/49/394872949.db2.gz BXXKDJCKIAKGMW-CQSZACIVSA-N 0 3 257.381 2.422 20 30 CEEDHN C=CCN1CCC[C@@H](C(=O)Nc2ncccc2C)C1 ZINC000363642229 394882643 /nfs/dbraw/zinc/88/26/43/394882643.db2.gz XNUUJHGWUORFBO-CYBMUJFWSA-N 0 3 259.353 2.227 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000336170201 394830798 /nfs/dbraw/zinc/83/07/98/394830798.db2.gz YGVHJBGMKKQREQ-CXAGYDPISA-N 0 3 283.375 2.221 20 30 CEEDHN C=C(C)CN1CCC(C(=O)Nc2nccs2)CC1 ZINC000363643172 394882931 /nfs/dbraw/zinc/88/29/31/394882931.db2.gz LMXOVGRWYKVDDO-UHFFFAOYSA-N 0 3 265.382 2.370 20 30 CEEDHN N#Cc1ccc(N2CC[C@@H](N3CC[C@H](C4CC4)C3)C2=O)cc1 ZINC000336241230 394836095 /nfs/dbraw/zinc/83/60/95/394836095.db2.gz RRRSMQWVHFBZFS-DOTOQJQBSA-N 0 3 295.386 2.395 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(CCOC)[C@H]1CC[C@H](C)C1 ZINC000362159141 394846730 /nfs/dbraw/zinc/84/67/30/394846730.db2.gz UPZWJHUPCSTLBJ-HOTGVXAUSA-N 0 3 294.439 2.324 20 30 CEEDHN CCS[C@H](C)c1noc(CN(C)C(=O)C(C)C#N)n1 ZINC000362189792 394848674 /nfs/dbraw/zinc/84/86/74/394848674.db2.gz YTTUGVBHJUJLTN-DTWKUNHWSA-N 0 3 282.369 2.002 20 30 CEEDHN C=CCN1CCC(Nc2cccc(-n3ccnc3C)n2)CC1 ZINC000362220250 394849766 /nfs/dbraw/zinc/84/97/66/394849766.db2.gz PXIBKHDWXUCSDN-UHFFFAOYSA-N 0 3 297.406 2.060 20 30 CEEDHN CC#CCN1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000363809270 394887080 /nfs/dbraw/zinc/88/70/80/394887080.db2.gz BDPIKELETUKNEO-AWEZNQCLSA-N 0 3 268.364 2.007 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(C)(C)CC1 ZINC000339254084 394954778 /nfs/dbraw/zinc/95/47/78/394954778.db2.gz MTSPDDRDBYCMIZ-ZDUSSCGKSA-N 0 3 265.401 2.117 20 30 CEEDHN C[C@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(C#N)cc1 ZINC000338367269 394917377 /nfs/dbraw/zinc/91/73/77/394917377.db2.gz ZACSBXNLDDRBAM-RRQGHBQHSA-N 0 3 285.391 2.072 20 30 CEEDHN Cn1cc(CN2CC[C@@](O)(c3ccc(F)cc3)C2)cc1C#N ZINC000365235633 394923462 /nfs/dbraw/zinc/92/34/62/394923462.db2.gz XYNVPGDTRBHBGQ-KRWDZBQOSA-N 0 3 299.349 2.129 20 30 CEEDHN CC#CC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000283106280 394928788 /nfs/dbraw/zinc/92/87/88/394928788.db2.gz GODSDBIZTGEFDU-UHFFFAOYSA-N 0 3 270.376 2.133 20 30 CEEDHN CCCCOC1CCN(CCOCCC#N)CC1 ZINC000339011625 394936777 /nfs/dbraw/zinc/93/67/77/394936777.db2.gz VSAVGKXVGVOTMJ-UHFFFAOYSA-N 0 3 254.374 2.198 20 30 CEEDHN COCCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000367058676 394956332 /nfs/dbraw/zinc/95/63/32/394956332.db2.gz WHAZBCJUMPJFDW-UHFFFAOYSA-N 0 3 273.380 2.365 20 30 CEEDHN CC(C)(C)[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C[C@@H]1O ZINC000339077406 394940530 /nfs/dbraw/zinc/94/05/30/394940530.db2.gz QRAGIZZIGXARPB-SYQHCUMBSA-N 0 3 250.386 2.408 20 30 CEEDHN C#CCCN1CCN(C[C@H](OC)c2ccccc2)CC1 ZINC000284512184 394945888 /nfs/dbraw/zinc/94/58/88/394945888.db2.gz VTQBAWZHQWTEFA-KRWDZBQOSA-N 0 3 272.392 2.015 20 30 CEEDHN N#CCCOCCN(Cc1ccccc1)CC1(CO)CC1 ZINC000339170106 394947682 /nfs/dbraw/zinc/94/76/82/394947682.db2.gz GELJQCQNPDNVLO-UHFFFAOYSA-N 0 3 288.391 2.191 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)NCCN(C)C1CC1 ZINC000342971043 395028042 /nfs/dbraw/zinc/02/80/42/395028042.db2.gz KYNBGQUIPBXTBI-GFCCVEGCSA-N 0 3 253.390 2.125 20 30 CEEDHN N#Cc1ccc2c(c1)CCN2C(=O)C12CCCN1CCC2 ZINC000416019015 394998340 /nfs/dbraw/zinc/99/83/40/394998340.db2.gz XPFDQMYYLSGLRJ-UHFFFAOYSA-N 0 3 281.359 2.076 20 30 CEEDHN C=C(C)CN1CCC(N[C@H](C)c2cnccn2)CC1 ZINC000152988134 394999565 /nfs/dbraw/zinc/99/95/65/394999565.db2.gz FQXMQNFDHVFRFH-CYBMUJFWSA-N 0 3 260.385 2.168 20 30 CEEDHN C=CCCOCCCCC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000342982859 395028901 /nfs/dbraw/zinc/02/89/01/395028901.db2.gz ZRAVOFVUBJBFKA-GDBMZVCRSA-N 0 3 294.439 2.348 20 30 CEEDHN C[C@H](C#N)CN(C)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000416127902 395018739 /nfs/dbraw/zinc/01/87/39/395018739.db2.gz DOYAVOYNSIIGDD-UKRRQHHQSA-N 0 3 273.380 2.297 20 30 CEEDHN C=C(C)[C@H](CC(=O)NCCN1CCC(C)CC1)OCC ZINC000339420883 394958814 /nfs/dbraw/zinc/95/88/14/394958814.db2.gz HFWSXGHMPBGGIL-HNNXBMFYSA-N 0 3 282.428 2.206 20 30 CEEDHN CCN(CC)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000342861717 395025448 /nfs/dbraw/zinc/02/54/48/395025448.db2.gz WFBLEMZSCOOPKG-LBPRGKRZSA-N 0 3 251.374 2.059 20 30 CEEDHN CN(C(=O)CCN1CCC(C#N)CC1)c1ccccc1 ZINC000135011753 394961876 /nfs/dbraw/zinc/96/18/76/394961876.db2.gz ADUYFSVNKWEAJL-UHFFFAOYSA-N 0 3 271.364 2.275 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21)OCC ZINC000339512521 394962752 /nfs/dbraw/zinc/96/27/52/394962752.db2.gz BAIOKRXCJOVWFF-PMPSAXMXSA-N 0 3 294.439 2.300 20 30 CEEDHN CC#CCN(C)CCCCCn1nnc(-c2ccccc2)n1 ZINC000339765527 394971201 /nfs/dbraw/zinc/97/12/01/394971201.db2.gz IJMUTIMGHAVCAN-UHFFFAOYSA-N 0 3 297.406 2.466 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000155267152 395026642 /nfs/dbraw/zinc/02/66/42/395026642.db2.gz YUUJEOAIXSGSSX-ZFWWWQNUSA-N 0 3 288.391 2.175 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000339997952 394976619 /nfs/dbraw/zinc/97/66/19/394976619.db2.gz AXGMCDWNABCSNW-YWVIFJGQSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCn1c(C2CCC2)nnc1N1CCCN(CC)CC1 ZINC000290335026 395099965 /nfs/dbraw/zinc/09/99/65/395099965.db2.gz JDBJLYXBTXMMSJ-UHFFFAOYSA-N 0 3 289.427 2.264 20 30 CEEDHN C(#Cc1ccccc1)CN[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000373073259 395053468 /nfs/dbraw/zinc/05/34/68/395053468.db2.gz CHTSXRNGYHXAKF-RTBURBONSA-N 0 3 298.430 2.271 20 30 CEEDHN C[C@@H]1CN(c2ncc3c(c2C#N)CCC3)CCN(C2CC2)C1 ZINC000425266113 395055544 /nfs/dbraw/zinc/05/55/44/395055544.db2.gz GWADNTRGLNMKGR-ZDUSSCGKSA-N 0 3 296.418 2.362 20 30 CEEDHN CC#CCN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000159383042 395058283 /nfs/dbraw/zinc/05/82/83/395058283.db2.gz LOAUWKMJRRRLHC-LBPRGKRZSA-N 0 3 291.782 2.409 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000425538666 395061699 /nfs/dbraw/zinc/06/16/99/395061699.db2.gz SMBBWAKJPKYOOA-LBPRGKRZSA-N 0 3 299.334 2.356 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)[C@H](C)[C@H]2C)CC1 ZINC000416685859 395067720 /nfs/dbraw/zinc/06/77/20/395067720.db2.gz MNINVZFLSVTSQT-MELADBBJSA-N 0 3 279.428 2.323 20 30 CEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425842337 395068560 /nfs/dbraw/zinc/06/85/60/395068560.db2.gz JDXCNVHMCIWDBF-VNHYZAJKSA-N 0 3 292.427 2.050 20 30 CEEDHN CCOCCO[C@@H]1CCN(CCC(C)(C)C#N)C1 ZINC000345711440 395073273 /nfs/dbraw/zinc/07/32/73/395073273.db2.gz MCDJBUBJLBXCHJ-CYBMUJFWSA-N 0 3 254.374 2.054 20 30 CEEDHN COC(=O)[C@H](C)CN(CCC(C)(C)C#N)C1CC1 ZINC000345724235 395074158 /nfs/dbraw/zinc/07/41/58/395074158.db2.gz GYZIJOCVFFNDRX-LLVKDONJSA-N 0 3 252.358 2.200 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000289627842 395082077 /nfs/dbraw/zinc/08/20/77/395082077.db2.gz FAQFKNJXBNCEQT-ONGXEEELSA-N 0 3 287.306 2.494 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@]1(C)CCO[C@@H]1C ZINC000494236368 395102466 /nfs/dbraw/zinc/10/24/66/395102466.db2.gz CSZSBYAKAQSIEC-IAQYHMDHSA-N 0 3 260.337 2.224 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000289759179 395086296 /nfs/dbraw/zinc/08/62/96/395086296.db2.gz LOWNDRFDQMOJGB-STQMWFEESA-N 0 3 265.353 2.291 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc(OC(F)F)c(OCC)c1 ZINC000289823058 395088239 /nfs/dbraw/zinc/08/82/39/395088239.db2.gz MFDOLDWXEOCTOW-NSHDSACASA-N 0 3 287.306 2.323 20 30 CEEDHN NC(=O)C[C@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000427016103 395088653 /nfs/dbraw/zinc/08/86/53/395088653.db2.gz OLMPZZARTANCTK-OAHLLOKOSA-N 0 3 290.794 2.421 20 30 CEEDHN CN1CC[C@@H]2CCN(c3nc4c(cc3C#N)CCCC4)C[C@@H]21 ZINC000375038595 395089938 /nfs/dbraw/zinc/08/99/38/395089938.db2.gz LVCKRAXVQAJQJI-DYVFJYSZSA-N 0 3 296.418 2.362 20 30 CEEDHN CCO[C@@H](C)c1nc(CN(C)C(=O)C(C)C#N)cs1 ZINC000346225364 395091922 /nfs/dbraw/zinc/09/19/22/395091922.db2.gz UDHGGHSQHDBUFO-ZJUUUORDSA-N 0 3 281.381 2.359 20 30 CEEDHN CC#CCCCC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346247732 395092890 /nfs/dbraw/zinc/09/28/90/395092890.db2.gz WEHCTRCRALRSRR-ARFHVFGLSA-N 0 3 276.424 2.369 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CCN(C2CC2)CC1 ZINC000346281700 395093894 /nfs/dbraw/zinc/09/38/94/395093894.db2.gz LQYQECGSNUGMER-INIZCTEOSA-N 0 3 297.402 2.066 20 30 CEEDHN CCC(C#N)S(=O)(=O)N(CCC#N)c1ccc(F)cc1 ZINC000416943528 395095028 /nfs/dbraw/zinc/09/50/28/395095028.db2.gz CGJXABAIKKAASI-ZDUSSCGKSA-N 0 3 295.339 2.178 20 30 CEEDHN C=CCOc1ccc(CNC(=O)NCCN(C)CC)cc1 ZINC000286990166 395032421 /nfs/dbraw/zinc/03/24/21/395032421.db2.gz DDNIEVPBYCXBEE-UHFFFAOYSA-N 0 3 291.395 2.002 20 30 CEEDHN C#CCNC(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000156480353 395032464 /nfs/dbraw/zinc/03/24/64/395032464.db2.gz XNBIELDJKOVWCT-RDJZCZTQSA-N 0 3 299.418 2.487 20 30 CEEDHN C#Cc1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1 ZINC000290295585 395098820 /nfs/dbraw/zinc/09/88/20/395098820.db2.gz HIVMZTCEQWQZTD-GFCCVEGCSA-N 0 3 257.255 2.071 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CCO[C@H]1c1ccccc1 ZINC000343362412 395038432 /nfs/dbraw/zinc/03/84/32/395038432.db2.gz JBWPJQRYHCHIKW-BNOWGMLFSA-N 0 3 258.321 2.040 20 30 CEEDHN C[C@H]1[C@H](Nc2nc3c(cc2C#N)CCC3)CCCN1C ZINC000343594362 395042268 /nfs/dbraw/zinc/04/22/68/395042268.db2.gz KWZQSPLCRSGQOV-SMDDNHRTSA-N 0 3 270.380 2.337 20 30 CEEDHN N#CCSCCCN1CCC[C@H](n2cccn2)C1 ZINC000372628673 395044453 /nfs/dbraw/zinc/04/44/53/395044453.db2.gz VEJNAAZJECOAJT-ZDUSSCGKSA-N 0 3 264.398 2.167 20 30 CEEDHN CC(C#N)C(=O)NCCc1nc2ccccc2n1C(F)F ZINC000346926910 395113369 /nfs/dbraw/zinc/11/33/69/395113369.db2.gz YWSRLFDMJYUQNB-VIFPVBQESA-N 0 3 292.289 2.250 20 30 CEEDHN CC(C#N)C(=O)NCC1(O)CCC(C(C)(C)C)CC1 ZINC000347102797 395118896 /nfs/dbraw/zinc/11/88/96/395118896.db2.gz ILCWBSYSWDAZBG-XIKARTHZSA-N 0 3 266.385 2.230 20 30 CEEDHN C=C(Br)CN1CC[C@H](N2CCCC2)[C@@H]1C ZINC000376546121 395125182 /nfs/dbraw/zinc/12/51/82/395125182.db2.gz OHPVLUZBVXKAFE-RYUDHWBXSA-N 0 3 273.218 2.454 20 30 CEEDHN C[C@@H](NCCCC#N)c1cccc(NS(C)(=O)=O)c1 ZINC000346830086 395109108 /nfs/dbraw/zinc/10/91/08/395109108.db2.gz KOKAXXUCXVMIMK-LLVKDONJSA-N 0 3 281.381 2.012 20 30 CEEDHN C[C@@H]1CN(Cc2cccc(F)c2C#N)[C@H](C)CN1C ZINC000428299425 395145115 /nfs/dbraw/zinc/14/51/15/395145115.db2.gz FGUNQETWVQWZPZ-VXGBXAGGSA-N 0 3 261.344 2.222 20 30 CEEDHN CC(=O)c1ccc(C#N)c(NC[C@H](C)CN(C)C)c1 ZINC000291646497 395150180 /nfs/dbraw/zinc/15/01/80/395150180.db2.gz BNIJUDAFYKVQCY-NSHDSACASA-N 0 3 259.353 2.370 20 30 CEEDHN C[C@@H](c1ccccc1)[C@H](NCc1cccc(C#N)c1)C(N)=O ZINC000428845616 395155221 /nfs/dbraw/zinc/15/52/21/395155221.db2.gz LQDUVGDNCADPIY-GUYCJALGSA-N 0 3 293.370 2.305 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@@H](C)[C@H](O)C2)c1 ZINC000349359276 395166062 /nfs/dbraw/zinc/16/60/62/395166062.db2.gz ZKZMMFQRIWSKHT-CZUORRHYSA-N 0 3 261.365 2.454 20 30 CEEDHN CCN(C(=O)C(C)C#N)[C@H](COC)Cc1ccccc1 ZINC000349563279 395171064 /nfs/dbraw/zinc/17/10/64/395171064.db2.gz FZUPHKPFTPIHBY-ZFWWWQNUSA-N 0 3 274.364 2.252 20 30 CEEDHN C=CCN(CC=C)[C@H](CNc1ccc(C#N)c(N)n1)C(C)C ZINC000516663657 395182776 /nfs/dbraw/zinc/18/27/76/395182776.db2.gz WOSOMKDKIHQJNG-OAHLLOKOSA-N 0 3 299.422 2.068 20 30 CEEDHN CC#CCN(C)C[C@H](O)COCc1ccccc1Cl ZINC000293301922 395227941 /nfs/dbraw/zinc/22/79/41/395227941.db2.gz WONLROHPMLULIU-AWEZNQCLSA-N 0 3 281.783 2.173 20 30 CEEDHN C=CCOCCN(C)Cc1cc(OC)cc(OC)c1 ZINC000293423988 395234383 /nfs/dbraw/zinc/23/43/83/395234383.db2.gz IWVXXVVZNIXBJM-UHFFFAOYSA-N 0 3 265.353 2.338 20 30 CEEDHN C=C(C)CCN(CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000351870550 395239764 /nfs/dbraw/zinc/23/97/64/395239764.db2.gz NDQQIPTXBYOZGB-CYBMUJFWSA-N 0 3 259.415 2.242 20 30 CEEDHN C=CCOCCN[C@H](Cc1nc(C)no1)c1ccccc1 ZINC000293686654 395248220 /nfs/dbraw/zinc/24/82/20/395248220.db2.gz AYCQEXGQPQFOOM-OAHLLOKOSA-N 0 3 287.363 2.454 20 30 CEEDHN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000521254959 395254456 /nfs/dbraw/zinc/25/44/56/395254456.db2.gz RYIJFAUDDBQAGK-ZIAGYGMSSA-N 0 3 289.335 2.059 20 30 CEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)C1(C#N)CC(C)C1 ZINC000519711568 395212421 /nfs/dbraw/zinc/21/24/21/395212421.db2.gz WOICWHQEOUFPLY-UYJPIKCFSA-N 0 3 277.412 2.115 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1cccc(OC(C)C)c1 ZINC000293813680 395252089 /nfs/dbraw/zinc/25/20/89/395252089.db2.gz OLEHXAWFEAJRRG-CQSZACIVSA-N 0 3 288.391 2.264 20 30 CEEDHN N#Cc1cnc(NC[C@@H]2CCN2C2CCCCC2)cn1 ZINC000528116012 395285561 /nfs/dbraw/zinc/28/55/61/395285561.db2.gz RRDNRFRCBANQRE-AWEZNQCLSA-N 0 3 271.368 2.167 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC(NC(=O)C2CC2)CC1 ZINC000186169388 395286519 /nfs/dbraw/zinc/28/65/19/395286519.db2.gz DLGMBICGMGEWIA-UHFFFAOYSA-N 0 3 297.402 2.357 20 30 CEEDHN C=CCC[C@H](O)CN(CC(=O)N1CCCCCC1)C(C)C ZINC000353239440 395290337 /nfs/dbraw/zinc/29/03/37/395290337.db2.gz WLQDWYMZPQKXSR-INIZCTEOSA-N 0 3 296.455 2.427 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@](C)(O)C(C)C)C(C)C ZINC000353312714 395294387 /nfs/dbraw/zinc/29/43/87/395294387.db2.gz KAEITBAZXDKZHO-RDJZCZTQSA-N 0 3 296.455 2.208 20 30 CEEDHN CCOC(=O)CC1CCN([C@H](C)CCC#N)CC1 ZINC000411171829 395321383 /nfs/dbraw/zinc/32/13/83/395321383.db2.gz YCLAJGLCOMGJDN-GFCCVEGCSA-N 0 3 252.358 2.344 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000352452568 395255960 /nfs/dbraw/zinc/25/59/60/395255960.db2.gz ALRFAHKWMWAMRJ-ZBFHGGJFSA-N 0 3 282.428 2.015 20 30 CEEDHN N#CC1(c2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000183491513 395257590 /nfs/dbraw/zinc/25/75/90/395257590.db2.gz PQNJTAJPDMAFCR-UHFFFAOYSA-N 0 3 283.375 2.067 20 30 CEEDHN CN1CCN(CCCCNc2cccc(F)c2C#N)CC1 ZINC000522285301 395258219 /nfs/dbraw/zinc/25/82/19/395258219.db2.gz MEXRQSCYBLNRKG-UHFFFAOYSA-N 0 3 290.386 2.137 20 30 CEEDHN CCCCNC(=O)[C@H]1CCCN([C@@H](C)CCC#N)C1 ZINC000411222264 395323270 /nfs/dbraw/zinc/32/32/70/395323270.db2.gz NTHKMOMDUWHXNG-KBPBESRZSA-N 0 3 265.401 2.307 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N1CCCN(C(C)C)CC1 ZINC000352491682 395260581 /nfs/dbraw/zinc/26/05/81/395260581.db2.gz HRGQABBGQXLLRE-INIZCTEOSA-N 0 3 282.428 2.158 20 30 CEEDHN N#Cc1cccc(CN[C@H](CO)C2CCCC2)c1F ZINC000352707542 395266753 /nfs/dbraw/zinc/26/67/53/395266753.db2.gz SMKWPHDVXREUNC-CQSZACIVSA-N 0 3 262.328 2.338 20 30 CEEDHN CC1(C)CCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000527164416 395277220 /nfs/dbraw/zinc/27/72/20/395277220.db2.gz BHSDGKMIELSVIP-CQSZACIVSA-N 0 3 267.332 2.251 20 30 CEEDHN C#CCCCC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000192119712 395373118 /nfs/dbraw/zinc/37/31/18/395373118.db2.gz IGZHDUZBSDYMIX-HNNXBMFYSA-N 0 3 272.392 2.427 20 30 CEEDHN COc1cc([C@H](C)N[C@H](C)CCC#N)ccc1OCCO ZINC000411460097 395328795 /nfs/dbraw/zinc/32/87/95/395328795.db2.gz QURVDNKXGJWFRW-OLZOCXBDSA-N 0 3 292.379 2.409 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000411399192 395328855 /nfs/dbraw/zinc/32/88/55/395328855.db2.gz QOFQCWSIMBVMMT-VNHYZAJKSA-N 0 3 275.396 2.154 20 30 CEEDHN C[C@@H](CCC#N)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000411427572 395328876 /nfs/dbraw/zinc/32/88/76/395328876.db2.gz OCZAGJLZHOPSTF-KBPBESRZSA-N 0 3 260.385 2.367 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NCCN1CCCC[C@@H]1CC ZINC000354378873 395329752 /nfs/dbraw/zinc/32/97/52/395329752.db2.gz DFEDQZJONCSYSD-CABCVRRESA-N 0 3 282.428 2.348 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000411691172 395336464 /nfs/dbraw/zinc/33/64/64/395336464.db2.gz NBWZAWZHYNMCJG-NEPJUHHUSA-N 0 3 277.372 2.007 20 30 CEEDHN CN(CCN1CCCC1)C(=O)Nc1ccc(F)cc1C#N ZINC000435167420 395352772 /nfs/dbraw/zinc/35/27/72/395352772.db2.gz YQJKINRUMWKGQI-UHFFFAOYSA-N 0 3 290.342 2.257 20 30 CEEDHN N#Cc1ccc(CC(=O)NC[C@@H]2CCN2C2CCCC2)cc1 ZINC000530023490 395453465 /nfs/dbraw/zinc/45/34/65/395453465.db2.gz FKHFLHGIEDLXDF-KRWDZBQOSA-N 0 3 297.402 2.234 20 30 CEEDHN CS(=O)(=O)[C@@H]1CCC[C@H](NCc2cc(C#N)cs2)C1 ZINC000531355958 395458517 /nfs/dbraw/zinc/45/85/17/395458517.db2.gz AWILIIKLSDXASC-WCQYABFASA-N 0 3 298.433 2.065 20 30 CEEDHN CCOC1CC(O)(CN[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000447565312 395505448 /nfs/dbraw/zinc/50/54/48/395505448.db2.gz KFZKTHFOKXVFKM-XOMBGVMMSA-N 0 3 292.354 2.278 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000565949838 395492363 /nfs/dbraw/zinc/49/23/63/395492363.db2.gz ZFYNBODWKRTABP-IRXDYDNUSA-N 0 3 297.402 2.439 20 30 CEEDHN CCC[C@H](NC[C@@H](O)CN(C)CCC#N)c1ccccc1 ZINC000573070070 395599485 /nfs/dbraw/zinc/59/94/85/395599485.db2.gz MTSSVDLSBWCTMX-SJORKVTESA-N 0 3 289.423 2.324 20 30 CEEDHN Cc1cc(C#N)cc(N2CCN(C3CC3)C[C@H](C)C2)n1 ZINC000450549050 395572625 /nfs/dbraw/zinc/57/26/25/395572625.db2.gz UYCLRAJFHGOILD-LBPRGKRZSA-N 0 3 270.380 2.182 20 30 CEEDHN C=CCCCCN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000569307796 395576588 /nfs/dbraw/zinc/57/65/88/395576588.db2.gz ZKEADYIIDBBFLZ-AWEZNQCLSA-N 0 3 254.418 2.120 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H]2C2CC2)cc1 ZINC000570369180 395582168 /nfs/dbraw/zinc/58/21/68/395582168.db2.gz LSYLAMGXAMQDNH-JKSUJKDBSA-N 0 3 279.343 2.251 20 30 CEEDHN C[C@H](C1CC1)N(Cc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000573847506 395621149 /nfs/dbraw/zinc/62/11/49/395621149.db2.gz CQDGHBRRQMDCLX-LLVKDONJSA-N 0 3 281.363 2.364 20 30 CEEDHN CO[C@H]1CCN(CCOc2ccc(C#N)cc2)C[C@H]1C ZINC000451552706 395622511 /nfs/dbraw/zinc/62/25/11/395622511.db2.gz XOXSXLGELDLZHN-CJNGLKHVSA-N 0 3 274.364 2.294 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000574515444 395631283 /nfs/dbraw/zinc/63/12/83/395631283.db2.gz PJCWWLYCIQYQDJ-CABCVRRESA-N 0 3 272.348 2.178 20 30 CEEDHN CC1(C)CCCN1CCNC(=O)c1cscc1C#N ZINC000457052269 395634574 /nfs/dbraw/zinc/63/45/74/395634574.db2.gz JARGQRSYSZOCRF-UHFFFAOYSA-N 0 3 277.393 2.224 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)NC(C)(C)CN1CCCC1 ZINC000457051639 395634587 /nfs/dbraw/zinc/63/45/87/395634587.db2.gz NDPCEEYDHQLUQQ-UHFFFAOYSA-N 0 3 285.391 2.471 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)CCc2ccc(C#N)cc2)C1 ZINC000457112305 395634904 /nfs/dbraw/zinc/63/49/04/395634904.db2.gz JAUYTIHSQAGYIG-KRWDZBQOSA-N 0 3 299.418 2.432 20 30 CEEDHN CC(C)C[C@H](CNC(=O)c1ccc(C#N)s1)N(C)C ZINC000487671580 395667411 /nfs/dbraw/zinc/66/74/11/395667411.db2.gz GCIZMQZEHUXTCJ-LLVKDONJSA-N 0 3 279.409 2.326 20 30 CEEDHN Cc1cc(CN2C[C@H](C)N(C)C[C@H]2C)ccc1C#N ZINC000488110400 395668162 /nfs/dbraw/zinc/66/81/62/395668162.db2.gz DNBVNXGSJNCZTN-UONOGXRCSA-N 0 3 257.381 2.391 20 30 CEEDHN C#CCNC(=O)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000491105976 395669107 /nfs/dbraw/zinc/66/91/07/395669107.db2.gz XBZRTAYPMCNJPE-CQSZACIVSA-N 0 3 295.386 2.081 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(C#N)cc2)CCN1C ZINC000491935556 395670865 /nfs/dbraw/zinc/67/08/65/395670865.db2.gz YIEYLXPJYSCNQN-XURSXEJRSA-N 0 3 283.375 2.170 20 30 CEEDHN CN(C)C/C=C\C(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000493083144 395671296 /nfs/dbraw/zinc/67/12/96/395671296.db2.gz LXAPDEROIWYLDI-ARJAWSKDSA-N 0 3 284.363 2.189 20 30 CEEDHN COCC1(NCC#Cc2ccc(Cl)cc2)CCOCC1 ZINC000647951679 395782565 /nfs/dbraw/zinc/78/25/65/395782565.db2.gz HQQQOAGGUSVQTN-UHFFFAOYSA-N 0 3 293.794 2.477 20 30 CEEDHN C=CCC[C@@H](O)CN1C[C@@H](C)OC2(CCCC2)C1 ZINC000646134308 396300957 /nfs/dbraw/zinc/30/09/57/396300957.db2.gz WYCIEJROCGXVFD-ZIAGYGMSSA-N 0 3 253.386 2.347 20 30 CEEDHN C=CCOc1ccccc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000646924445 396392360 /nfs/dbraw/zinc/39/23/60/396392360.db2.gz IIRLWOOZBPJKGF-DZGCQCFKSA-N 0 3 286.375 2.028 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(F)cc1F ZINC000650078361 400794846 /nfs/dbraw/zinc/79/48/46/400794846.db2.gz DVSVRLRDCJIDML-KGLIPLIRSA-N 0 3 296.317 2.227 20 30 CEEDHN C[C@H](C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)c1cccc(C#N)c1 ZINC000360337616 155274520 /nfs/dbraw/zinc/27/45/20/155274520.db2.gz WJIZNRRFQRZTBI-WWGRRREGSA-N 0 3 297.402 2.403 20 30 CEEDHN Cc1nnc(SC[C@@H]2CCN(C)C2)c(C#N)c1C ZINC000191067899 153155471 /nfs/dbraw/zinc/15/54/71/153155471.db2.gz RDGWISYKQNPKSZ-LLVKDONJSA-N 0 3 262.382 2.009 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCO[C@H]2C2CC2)c(F)c1 ZINC000230313551 153389006 /nfs/dbraw/zinc/38/90/06/153389006.db2.gz WMPLEDSJRUZHCR-GJZGRUSLSA-N 0 3 260.312 2.354 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CCCCCC2)c1 ZINC000331963761 154214190 /nfs/dbraw/zinc/21/41/90/154214190.db2.gz IXQQISPYMIDANY-UHFFFAOYSA-N 0 3 271.364 2.050 20 30 CEEDHN N#Cc1csc(CN[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000346808235 154295998 /nfs/dbraw/zinc/29/59/98/154295998.db2.gz YRADGLRMVCHYMT-CQSZACIVSA-N 0 3 290.363 2.452 20 30 CEEDHN COCC[C@H](Cc1ccco1)NCc1cc(C#N)n(C)c1 ZINC000359673693 155106951 /nfs/dbraw/zinc/10/69/51/155106951.db2.gz OJLDCZZURFKPCF-CQSZACIVSA-N 0 3 287.363 2.227 20 30 CEEDHN Cc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1C#N ZINC000367255941 156153713 /nfs/dbraw/zinc/15/37/13/156153713.db2.gz ZDWYGRVDIFYMHJ-MRXNPFEDSA-N 0 3 283.375 2.177 20 30 CEEDHN Cn1cc(C[C@H]2CCN(Cc3ccc(C#N)s3)C2)cn1 ZINC000367467414 156192087 /nfs/dbraw/zinc/19/20/87/156192087.db2.gz OHJMWXATYKWQNH-GFCCVEGCSA-N 0 3 286.404 2.418 20 30 CEEDHN CO[C@@H]1[C@@H](C)[C@H](NCc2ccc(C#N)o2)C12CCC2 ZINC000368033423 156273300 /nfs/dbraw/zinc/27/33/00/156273300.db2.gz GGGUUCWGWWAHIR-LEWSCRJBSA-N 0 3 260.337 2.444 20 30 CEEDHN CC(C)[C@]1(CO)CCN(CCOc2cccc(C#N)c2)C1 ZINC000368069950 156281800 /nfs/dbraw/zinc/28/18/00/156281800.db2.gz BCXBQCHZBNLZSO-QGZVFWFLSA-N 0 3 288.391 2.277 20 30 CEEDHN Cn1cc(CN[C@@H]2c3ccccc3CC[C@H]2CO)cc1C#N ZINC000377025218 162655449 /nfs/dbraw/zinc/65/54/49/162655449.db2.gz QJXQGNKEASLZIN-YJBOKZPZSA-N 0 3 295.386 2.282 20 30 CEEDHN CC(C)C[C@H](CNC(=O)c1ccc(F)c(C#N)c1)N(C)C ZINC000285564604 196327661 /nfs/dbraw/zinc/32/76/61/196327661.db2.gz NGXJZVFSNGTHRX-CQSZACIVSA-N 0 3 291.370 2.403 20 30 CEEDHN C=CCN(C(=O)c1cc2c(s1)CCNC2)[C@H](C)COC ZINC000662853428 414774667 /nfs/dbraw/zinc/77/46/67/414774667.db2.gz DTABXTVSAATWKC-LLVKDONJSA-N 0 3 294.420 2.057 20 30 CEEDHN C=CCN1CC[C@H](N(C)C[C@H](CC)CC(F)F)C1=O ZINC000660464352 414835201 /nfs/dbraw/zinc/83/52/01/414835201.db2.gz ODWFZZSSFVLWLM-NEPJUHHUSA-N 0 3 274.355 2.387 20 30 CEEDHN C=CCCn1cc(CNC[C@@H]2CCCO[C@H]2C(C)C)nn1 ZINC000657388221 414906467 /nfs/dbraw/zinc/90/64/67/414906467.db2.gz AFLGCMKFNNFWJQ-HOCLYGCPSA-N 0 3 292.427 2.395 20 30 CEEDHN C=C(CC)CNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654586604 414982139 /nfs/dbraw/zinc/98/21/39/414982139.db2.gz WJHJRSVUDFSPMZ-UONOGXRCSA-N 0 3 265.401 2.269 20 30 CEEDHN C=C(C)CN1CCC(Nc2cc(CO)c(F)cn2)CC1 ZINC000663567646 414989903 /nfs/dbraw/zinc/98/99/03/414989903.db2.gz JEYKXLPJROKYDL-UHFFFAOYSA-N 0 3 279.359 2.165 20 30 CEEDHN C=CCCn1cc(CNC[C@H]2CCOC(C)(C)C2)nn1 ZINC000657488588 414968386 /nfs/dbraw/zinc/96/83/86/414968386.db2.gz SEKDWXLLSXMNOP-ZDUSSCGKSA-N 0 3 278.400 2.149 20 30 CEEDHN C=CCN(CCOCC(F)(F)F)[C@H](C)COC ZINC000661243886 415153845 /nfs/dbraw/zinc/15/38/45/415153845.db2.gz NUCYZHZVFXRTAR-SNVBAGLBSA-N 0 3 255.280 2.088 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1CCN(CCC)C1 ZINC000661121005 415103232 /nfs/dbraw/zinc/10/32/32/415103232.db2.gz AGEKUHQWUCGJCA-QWHCGFSZSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CC[C@H]1CCCC[C@H]1NCC(=O)Nc1nncs1 ZINC000661116726 415103981 /nfs/dbraw/zinc/10/39/81/415103981.db2.gz ZJPFEZZUZPELDO-WDEREUQCSA-N 0 3 280.397 2.201 20 30 CEEDHN C=CCN1CCC(NC(=O)N(CC)[C@H](C)CC)CC1 ZINC000664020779 415126818 /nfs/dbraw/zinc/12/68/18/415126818.db2.gz UGAXBJORDXFBJY-CYBMUJFWSA-N 0 3 267.417 2.467 20 30 CEEDHN C=C(C)CCNC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000661263822 415166926 /nfs/dbraw/zinc/16/69/26/415166926.db2.gz MOCMGTOZHJFGGN-AWEZNQCLSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCCC(C)(C)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000664127551 415183946 /nfs/dbraw/zinc/18/39/46/415183946.db2.gz IJVGHYTUIBGYJI-GFCCVEGCSA-N 0 3 265.401 2.267 20 30 CEEDHN C=CCC[C@H](O)CN[C@@H](COC)c1cccc(OC)c1 ZINC000661476773 415279232 /nfs/dbraw/zinc/27/92/32/415279232.db2.gz CNJFHVBAWASBNA-HOCLYGCPSA-N 0 3 279.380 2.299 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)NC[C@H]2CCCN2CC)C1 ZINC000664212868 415227416 /nfs/dbraw/zinc/22/74/16/415227416.db2.gz LEBYLRCSCIFYBW-LSDHHAIUSA-N 0 3 279.428 2.468 20 30 CEEDHN C=C[C@H](CO)N[C@@H](CC)c1cc(OC)c(OC)c(OC)c1 ZINC000658334630 415322363 /nfs/dbraw/zinc/32/23/63/415322363.db2.gz PEZJCXNQRRCBSM-OLZOCXBDSA-N 0 3 295.379 2.300 20 30 CEEDHN C=CC[C@@H](C)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659034955 415397566 /nfs/dbraw/zinc/39/75/66/415397566.db2.gz RZPJUYJEIVJJDY-IUODEOHRSA-N 0 3 289.379 2.434 20 30 CEEDHN C=CCC1([NH2+]CC(=O)[N-]c2cc(C)no2)CCCC1 ZINC000661849448 415498917 /nfs/dbraw/zinc/49/89/17/415498917.db2.gz VQNROTDJYWFYRC-UHFFFAOYSA-N 0 3 263.341 2.400 20 30 CEEDHN C=CCC[C@@H](O)CN1CCOC(C2CC2)(C2CC2)C1 ZINC000661997535 415566824 /nfs/dbraw/zinc/56/68/24/415566824.db2.gz XQKOFXKLWQBCJB-OAHLLOKOSA-N 0 3 265.397 2.205 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C(N)=O)c1ccccc1 ZINC000662086493 415618079 /nfs/dbraw/zinc/61/80/79/415618079.db2.gz UFMTXBRQNCKJQK-QLFBSQMISA-N 0 3 256.349 2.396 20 30 CEEDHN C=CC[C@H]1CCCN(Cc2nc(C(C)(C)N)no2)C1 ZINC000662299274 415763608 /nfs/dbraw/zinc/76/36/08/415763608.db2.gz NBNICVHRROILHS-NSHDSACASA-N 0 3 264.373 2.052 20 30 CEEDHN C=CCNC(=O)CN1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000076392104 177014607 /nfs/dbraw/zinc/01/46/07/177014607.db2.gz JUFUOINWTSDTCG-ZFWWWQNUSA-N 0 3 288.391 2.175 20 30 CEEDHN Cc1cnc(C2CCN(C(=O)C(C)C#N)CC2)s1 ZINC000334679457 225246647 /nfs/dbraw/zinc/24/66/47/225246647.db2.gz VHLNYJJBTPLBCP-SECBINFHSA-N 0 3 263.366 2.317 20 30 CEEDHN COc1ccc(CNC(=O)C(C)C#N)cc1Br ZINC000347121953 226033669 /nfs/dbraw/zinc/03/36/69/226033669.db2.gz ZTRXNVFAMSKRES-MRVPVSSYSA-N 0 3 297.152 2.234 20 30 CEEDHN C=CCOc1ccc(C[N@@H+]2CC[C@@H](c3nnc[n-]3)C2)cc1 ZINC000575176036 335075592 /nfs/dbraw/zinc/07/55/92/335075592.db2.gz DPKJDQABDQEAPM-CQSZACIVSA-N 0 3 284.363 2.359 20 30 CEEDHN C=CCOc1ccc(C[N@H+]2CC[C@@H](c3nnc[n-]3)C2)cc1 ZINC000575176036 335075593 /nfs/dbraw/zinc/07/55/93/335075593.db2.gz DPKJDQABDQEAPM-CQSZACIVSA-N 0 3 284.363 2.359 20 30 CEEDHN N#CC(C(=O)c1ccc(F)c(F)c1)c1ccncn1 ZINC000354471624 227005621 /nfs/dbraw/zinc/00/56/21/227005621.db2.gz OINVWKMMYQBPNK-VIFPVBQESA-N 0 3 259.215 2.245 20 30 CEEDHN CC(C#N)C(=O)NCCNc1cccc(Br)c1 ZINC000352730137 227192500 /nfs/dbraw/zinc/19/25/00/227192500.db2.gz GLOWSLZVHIJLPU-SECBINFHSA-N 0 3 296.168 2.137 20 30 CEEDHN C[C@@H]1C[C@@H]1[NH+]=C([O-])N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329271321 227397362 /nfs/dbraw/zinc/39/73/62/227397362.db2.gz JFRRNTDWRLTTIN-WOPDTQHZSA-N 0 3 290.411 2.407 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000329687429 227868346 /nfs/dbraw/zinc/86/83/46/227868346.db2.gz FXRPQCAPHFSBIU-WOPDTQHZSA-N 0 3 276.384 2.349 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1[NH+]=C([O-])N[C@H]1CCn2ccnc2C1 ZINC000330174130 228055665 /nfs/dbraw/zinc/05/56/65/228055665.db2.gz HWZLVZUDFHEXNR-AGIUHOORSA-N 0 3 276.384 2.280 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H](O)CC1 ZINC000332031672 228144295 /nfs/dbraw/zinc/14/42/95/228144295.db2.gz SDHPWGFZBTXFIL-HZPDHXFCSA-N 0 3 286.375 2.132 20 30 CEEDHN C[C@H](C(=O)NCCC1CC(O)C1)N1CCCCCC1 ZINC000330354258 228164292 /nfs/dbraw/zinc/16/42/92/228164292.db2.gz PKKCYZJALCGTDN-IYXRBSQSSA-N 0 3 268.401 2.368 20 30 CEEDHN C=CCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000665946714 419488672 /nfs/dbraw/zinc/48/86/72/419488672.db2.gz UPVKULYMTVDCQE-MRXNPFEDSA-N 0 3 287.407 2.478 20 30 CEEDHN C#C[C@H](NC[C@H](O)c1cc(F)ccc1F)C(C)C ZINC000310578676 260220048 /nfs/dbraw/zinc/22/00/48/260220048.db2.gz VJHYAHRCPPPVHL-KBPBESRZSA-N 0 3 253.292 2.246 20 30 CEEDHN C=CCOc1ccccc1CNCCCn1ccnn1 ZINC000126509772 260352538 /nfs/dbraw/zinc/35/25/38/260352538.db2.gz OSVKZPCINNSMIS-UHFFFAOYSA-N 0 3 272.352 2.023 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128390568 260374256 /nfs/dbraw/zinc/37/42/56/260374256.db2.gz AJMWAZSVPIKSRK-WBVHZDCISA-N 0 3 294.439 2.038 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000490555224 261161623 /nfs/dbraw/zinc/16/16/23/261161623.db2.gz ACECXYFBXHZIOW-UKRRQHHQSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN(C(=O)NC[C@H]1CCCN1C)C1CCCCC1 ZINC000490574896 261162991 /nfs/dbraw/zinc/16/29/91/261162991.db2.gz DRCPVIMFWBRDNG-OAHLLOKOSA-N 0 3 277.412 2.058 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000249414265 261252616 /nfs/dbraw/zinc/25/26/16/261252616.db2.gz YVSDQIUEKQFYIL-ZMSDIMECSA-N 0 3 294.439 2.158 20 30 CEEDHN C#CCNC(=O)CCN[C@H](CC(F)(F)F)c1ccccc1 ZINC000491067707 261314903 /nfs/dbraw/zinc/31/49/03/261314903.db2.gz JUBIYNMGAOQKAI-CYBMUJFWSA-N 0 3 298.308 2.409 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(CC)C[C@@H](C)OC ZINC000361557492 261334477 /nfs/dbraw/zinc/33/44/77/261334477.db2.gz ASVSQGNEJNLEQG-ZIAGYGMSSA-N 0 3 270.417 2.156 20 30 CEEDHN CC[C@@H](CC#N)NC1CCN(c2nccs2)CC1 ZINC000184082525 262007104 /nfs/dbraw/zinc/00/71/04/262007104.db2.gz ZYUDNKZUAVZQQP-NSHDSACASA-N 0 3 264.398 2.394 20 30 CEEDHN COc1cccc([C@@H](O)CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185713656 262067921 /nfs/dbraw/zinc/06/79/21/262067921.db2.gz LOIXFVBEQRZZIT-NOLJZWGESA-N 0 3 274.364 2.401 20 30 CEEDHN CC#CCCN1CCC2(C[C@H]2C(=O)N2CCCC2)CC1 ZINC000364045954 262120006 /nfs/dbraw/zinc/12/00/06/262120006.db2.gz ORPCAAKATSLALV-HNNXBMFYSA-N 0 3 274.408 2.124 20 30 CEEDHN N#CCCCCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364323862 262202148 /nfs/dbraw/zinc/20/21/48/262202148.db2.gz KNLUCCMWGCCVEX-LBPRGKRZSA-N 0 3 277.328 2.122 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc(Cl)c(OC)c(OC)c1 ZINC000184287471 262276645 /nfs/dbraw/zinc/27/66/45/262276645.db2.gz SCZKLOZWYAUJLK-NSHDSACASA-N 0 3 285.771 2.384 20 30 CEEDHN C=CCCC(=O)N1CC[C@H](N)c2cc(OC)ccc21 ZINC000365217629 262352297 /nfs/dbraw/zinc/35/22/97/262352297.db2.gz FWOUHPIUBMXLAQ-ZDUSSCGKSA-N 0 3 260.337 2.398 20 30 CEEDHN C=CCC[C@H](O)CN1CC[C@H](Oc2cccnc2C)C1 ZINC000365278588 262357881 /nfs/dbraw/zinc/35/78/81/262357881.db2.gz WTMJHRYDJVQHPF-GJZGRUSLSA-N 0 3 276.380 2.170 20 30 CEEDHN CN(CCNC(=O)c1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000271946603 263000685 /nfs/dbraw/zinc/00/06/85/263000685.db2.gz XSRFRNBCMXFMAQ-UHFFFAOYSA-N 0 3 283.375 2.066 20 30 CEEDHN CC[C@@H](C(=O)N(C)CC(C)(C)C#N)N(CC)CC ZINC000353189611 263045649 /nfs/dbraw/zinc/04/56/49/263045649.db2.gz YIBZIZLMMAKHOG-LBPRGKRZSA-N 0 3 253.390 2.115 20 30 CEEDHN CN(C)[C@@H](CNC(=O)CC(C)(C)C#N)c1ccccc1 ZINC000278342965 263047009 /nfs/dbraw/zinc/04/70/09/263047009.db2.gz WIMGAXCTGMIYCW-AWEZNQCLSA-N 0 3 273.380 2.345 20 30 CEEDHN CC1CC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279389746 263055155 /nfs/dbraw/zinc/05/51/55/263055155.db2.gz ADTQJCOGVVNBPT-WPBUFGDCSA-N 0 3 267.332 2.155 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCSC2)cc1 ZINC000280200371 263059665 /nfs/dbraw/zinc/05/96/65/263059665.db2.gz ZLPXNMHLFSINKE-CABCVRRESA-N 0 3 299.399 2.110 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCSC2)cc1 ZINC000280516021 263062485 /nfs/dbraw/zinc/06/24/85/263062485.db2.gz ROXOVDSRVLIPSS-CABCVRRESA-N 0 3 299.399 2.252 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCSC2)cc1 ZINC000280516033 263062546 /nfs/dbraw/zinc/06/25/46/263062546.db2.gz ROXOVDSRVLIPSS-LSDHHAIUSA-N 0 3 299.399 2.252 20 30 CEEDHN CCN(CC1CC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280569387 263062921 /nfs/dbraw/zinc/06/29/21/263062921.db2.gz VLMLWTJRPJNVSP-MRXNPFEDSA-N 0 3 281.359 2.499 20 30 CEEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CCSC1 ZINC000281518962 263069911 /nfs/dbraw/zinc/06/99/11/263069911.db2.gz JBQWXXTVELMYRS-LSDHHAIUSA-N 0 3 299.399 2.204 20 30 CEEDHN CC(C)[C@@](C)(NCc1ccccc1C(C)(C)C#N)C(N)=O ZINC000289420960 263110145 /nfs/dbraw/zinc/11/01/45/263110145.db2.gz URSAZHRWCVISPD-QGZVFWFLSA-N 0 3 287.407 2.477 20 30 CEEDHN CC[C@H](CC#N)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290561840 263117546 /nfs/dbraw/zinc/11/75/46/263117546.db2.gz SKNBECVVFCXVQN-HZSPNIEDSA-N 0 3 286.331 2.099 20 30 CEEDHN CC(C)(CO)[C@@H](NCCOCCC#N)c1cccs1 ZINC000293468102 263141173 /nfs/dbraw/zinc/14/11/73/263141173.db2.gz DRMMEFCDMHPFKK-ZDUSSCGKSA-N 0 3 282.409 2.328 20 30 CEEDHN CN(CCn1cc(Br)cn1)[C@@H]1CC[C@H](C#N)C1 ZINC000293724989 263147869 /nfs/dbraw/zinc/14/78/69/263147869.db2.gz YUQGYPVNDQBNMB-CMPLNLGQSA-N 0 3 297.200 2.270 20 30 CEEDHN CN1CCC[C@]2(CCN(C(=O)c3cccc(CC#N)c3)C2)C1 ZINC000294166255 263157110 /nfs/dbraw/zinc/15/71/10/263157110.db2.gz OFRXFPYDOBNWCB-SFHVURJKSA-N 0 3 297.402 2.311 20 30 CEEDHN C[C@@H](C#N)N(C)C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000294482660 263162630 /nfs/dbraw/zinc/16/26/30/263162630.db2.gz XIIBAPBQNKPDAF-GOEBONIOSA-N 0 3 285.391 2.269 20 30 CEEDHN C=CCCC[C@H](C)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000340902015 263308715 /nfs/dbraw/zinc/30/87/15/263308715.db2.gz SOOIWJYELXXNBU-QWHCGFSZSA-N 0 3 259.415 2.098 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000341191663 263328881 /nfs/dbraw/zinc/32/88/81/263328881.db2.gz FUHOWBNGMDSIRZ-OLZOCXBDSA-N 0 3 253.390 2.077 20 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CO[C@H](CNC(=O)N[C@H](C)C1=CCN(C)CC1)C(C)(C)C ZINC000330763729 264031848 /nfs/dbraw/zinc/03/18/48/264031848.db2.gz IQNJZTJDVZBRIB-TZMCWYRMSA-N 0 3 297.443 2.202 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CC[C@H]2O)c(C(F)(F)F)c1 ZINC000425352924 264072591 /nfs/dbraw/zinc/07/25/91/264072591.db2.gz IGOQCNNHXPHPLW-VXGBXAGGSA-N 0 3 270.254 2.190 20 30 CEEDHN CCN1CCC(NC(=O)NC[C@H](OC)C(C)(C)C)CC1 ZINC000330933835 264097472 /nfs/dbraw/zinc/09/74/72/264097472.db2.gz FSROFFZUMFEWSA-ZDUSSCGKSA-N 0 3 285.432 2.035 20 30 CEEDHN CCc1ccnc(CNC(=O)N[C@H]2CCCN(CC)C2)c1 ZINC000331241304 264176975 /nfs/dbraw/zinc/17/69/75/264176975.db2.gz OWCFFXOSNFXLEN-AWEZNQCLSA-N 0 3 290.411 2.132 20 30 CEEDHN CCNC(=O)NC(=O)[C@@H](C)N(C)C1CCC(CC)CC1 ZINC000331330132 264192024 /nfs/dbraw/zinc/19/20/24/264192024.db2.gz QRQVXIVNXQMJLY-PNESKVBLSA-N 0 3 283.416 2.326 20 30 CEEDHN O=C(NC[C@H]1CCCCN1CCO)c1cccc(Cl)c1 ZINC000331334577 264193071 /nfs/dbraw/zinc/19/30/71/264193071.db2.gz PVDWAKNJPPKNAW-CQSZACIVSA-N 0 3 296.798 2.491 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000189011129 264267586 /nfs/dbraw/zinc/26/75/86/264267586.db2.gz OFCFODNQKURTKT-SQWLQELKSA-N 0 3 282.428 2.156 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000189011153 264268227 /nfs/dbraw/zinc/26/82/27/264268227.db2.gz OFCFODNQKURTKT-IJEWVQPXSA-N 0 3 282.428 2.156 20 30 CEEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(OC)c(COC)c1 ZINC000289857713 264741576 /nfs/dbraw/zinc/74/15/76/264741576.db2.gz QUMFJNGUPZIXIL-RISCZKNCSA-N 0 3 265.353 2.039 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(Cl)cc(OC)c1 ZINC000294077857 265005513 /nfs/dbraw/zinc/00/55/13/265005513.db2.gz WKPSLRHTGGZNTO-UHFFFAOYSA-N 0 3 294.782 2.034 20 30 CEEDHN C=CCOCCN[C@@]1(CO)CCCc2ccccc21 ZINC000294331027 265011029 /nfs/dbraw/zinc/01/10/29/265011029.db2.gz YOMILGZKZOZMAY-MRXNPFEDSA-N 0 3 261.365 2.003 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000356291590 266088629 /nfs/dbraw/zinc/08/86/29/266088629.db2.gz FBWQHAVFBMWJDO-IRXDYDNUSA-N 0 3 294.439 2.160 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CC[C@@]2(C1)CCCN(C)C2)OCC ZINC000356296971 266090132 /nfs/dbraw/zinc/09/01/32/266090132.db2.gz MSLQEHRMCYSKOK-RDJZCZTQSA-N 0 3 294.439 2.302 20 30 CEEDHN C[C@@H](C(=O)N1CCC(C)(C#N)CC1)N1[C@H](C)CC[C@H]1C ZINC000356970308 266221600 /nfs/dbraw/zinc/22/16/00/266221600.db2.gz IDXFJSXCGJGYFW-MCIONIFRSA-N 0 3 277.412 2.400 20 30 CEEDHN C=CCCOCCCCC(=O)N1CCN2CCC1CC2 ZINC000356999898 266229333 /nfs/dbraw/zinc/22/93/33/266229333.db2.gz QLWULOZIEZWZOK-UHFFFAOYSA-N 0 3 280.412 2.056 20 30 CEEDHN C=CCN(C(=O)N[C@H](C)CN1CCC[C@H](C)C1)C1CC1 ZINC000357572423 266327852 /nfs/dbraw/zinc/32/78/52/266327852.db2.gz NNNFDRZYCCMRDF-UONOGXRCSA-N 0 3 279.428 2.467 20 30 CEEDHN CCOc1ccc(CCNC(=O)C(C)C#N)cc1OCC ZINC000357799546 266366497 /nfs/dbraw/zinc/36/64/97/266366497.db2.gz MJYACEVHKCFQLO-GFCCVEGCSA-N 0 3 290.363 2.302 20 30 CEEDHN COc1ccc([C@@H](C)NC(=O)C(C)C#N)c(C)c1OC ZINC000360561168 266724607 /nfs/dbraw/zinc/72/46/07/266724607.db2.gz NMMCCRRSLJUCFY-GXSJLCMTSA-N 0 3 276.336 2.349 20 30 CEEDHN COc1ccc(OC(F)F)c(CNC(=O)C(C)C#N)c1 ZINC000362574873 267009395 /nfs/dbraw/zinc/00/93/95/267009395.db2.gz CTKGIAZICHRKOD-MRVPVSSYSA-N 0 3 284.262 2.072 20 30 CEEDHN CCCN1CCC(N(C)C(=O)c2ccc(C#N)o2)CC1 ZINC000429821794 267017145 /nfs/dbraw/zinc/01/71/45/267017145.db2.gz PGYSITXQINIHTN-UHFFFAOYSA-N 0 3 275.352 2.098 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000362628646 267025396 /nfs/dbraw/zinc/02/53/96/267025396.db2.gz VWIWMTJHGOQQES-ILXRZTDVSA-N 0 3 282.428 2.060 20 30 CEEDHN C=C[C@H](C)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000362708192 267037552 /nfs/dbraw/zinc/03/75/52/267037552.db2.gz UGXAVRILXNSLNY-DZGCQCFKSA-N 0 3 275.396 2.033 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc(C#N)c(OC)c1 ZINC000442837107 267131107 /nfs/dbraw/zinc/13/11/07/267131107.db2.gz PGYGTNUMGSPZPX-RYUDHWBXSA-N 0 3 290.363 2.244 20 30 CEEDHN CN1CC[C@]2(CCN(C(=O)NCC(C)(C)CCC#N)C2)C1 ZINC000368145029 267148769 /nfs/dbraw/zinc/14/87/69/267148769.db2.gz FWTDNFYYGRUONF-INIZCTEOSA-N 0 3 292.427 2.054 20 30 CEEDHN C[C@H](F)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000356702124 267168873 /nfs/dbraw/zinc/16/88/73/267168873.db2.gz HXJXUKMAUURUDD-FZMZJTMJSA-N 0 3 273.311 2.105 20 30 CEEDHN CC[C@@H](C)CN(CC)Cc1cnc2c(C#N)cnn2c1 ZINC000518980698 267182612 /nfs/dbraw/zinc/18/26/12/267182612.db2.gz APTXZBKWSLAHEY-GFCCVEGCSA-N 0 3 271.368 2.469 20 30 CEEDHN CC[C@@H]1CCCCN1CCNc1cc(C)ncc1C#N ZINC000425235627 267200389 /nfs/dbraw/zinc/20/03/89/267200389.db2.gz ZKXGFJUDIASJBN-OAHLLOKOSA-N 0 3 272.396 2.360 20 30 CEEDHN CC[C@@H]1CCCCN1CCNc1cncc(C#N)n1 ZINC000420593819 267200586 /nfs/dbraw/zinc/20/05/86/267200586.db2.gz CFMKCMMVQMCKBY-CYBMUJFWSA-N 0 3 259.357 2.025 20 30 CEEDHN N#CCCCN1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000368993291 267216698 /nfs/dbraw/zinc/21/66/98/267216698.db2.gz RBTQRFHOWPRUKE-OAHLLOKOSA-N 0 3 277.412 2.405 20 30 CEEDHN CC[C@H]1CN(CC)CCN1CCOc1ccc(C#N)cc1 ZINC000451724987 267230751 /nfs/dbraw/zinc/23/07/51/267230751.db2.gz KIXHAKXJJQFPIY-INIZCTEOSA-N 0 3 287.407 2.353 20 30 CEEDHN C#CCOc1ccc(CN2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000369682520 267259833 /nfs/dbraw/zinc/25/98/33/267259833.db2.gz FIORTQCQQHNIDE-DOTOQJQBSA-N 0 3 271.360 2.309 20 30 CEEDHN C#CCCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1N(C)C ZINC000369857366 267272053 /nfs/dbraw/zinc/27/20/53/267272053.db2.gz GRAVWQUKHYCIPA-IAGOWNOFSA-N 0 3 299.418 2.317 20 30 CEEDHN C=CCC[C@H](O)CN1CC[C@@H](Oc2ccccc2)C1 ZINC000370494963 267324219 /nfs/dbraw/zinc/32/42/19/267324219.db2.gz NIYAZJGCKZTTJK-GOEBONIOSA-N 0 3 261.365 2.467 20 30 CEEDHN CN1C[C@@H]2CCCN(C(=O)/C=C\c3cccc(C#N)c3)[C@@H]2C1 ZINC000493100603 267342857 /nfs/dbraw/zinc/34/28/57/267342857.db2.gz WJRDYKRZSJRPBG-PRJTXATQSA-N 0 3 295.386 2.124 20 30 CEEDHN C#CCCN1CCC[C@H](C(=O)Nc2ncccc2C)C1 ZINC000371194734 267367934 /nfs/dbraw/zinc/36/79/34/267367934.db2.gz GCLKOKHJYLHWHW-AWEZNQCLSA-N 0 3 271.364 2.064 20 30 CEEDHN C[C@H](NCCCC#N)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000376835234 268022417 /nfs/dbraw/zinc/02/24/17/268022417.db2.gz BVRAZFYBHCPIRY-DOTOQJQBSA-N 0 3 287.407 2.169 20 30 CEEDHN Cc1ccc(NCCN2CCCC(C)(C)C2)nc1C#N ZINC000443966754 268026534 /nfs/dbraw/zinc/02/65/34/268026534.db2.gz ZAGICVPYOWIUES-UHFFFAOYSA-N 0 3 272.396 2.218 20 30 CEEDHN Cc1ccc(C#N)c(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)n1 ZINC000488719799 268029303 /nfs/dbraw/zinc/02/93/03/268029303.db2.gz YKQNDBZCLODPQX-XJKCOSOUSA-N 0 3 284.407 2.428 20 30 CEEDHN N#CC1(c2ccccc2)CC(NCC2(CO)CCC2)C1 ZINC000377011566 268040383 /nfs/dbraw/zinc/04/03/83/268040383.db2.gz ZQPZQLYMWQVRLH-UHFFFAOYSA-N 0 3 270.376 2.363 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(F)(F)C2)cc1 ZINC000335254368 268088234 /nfs/dbraw/zinc/08/82/34/268088234.db2.gz YNELODVTXZVUDY-CYBMUJFWSA-N 0 3 289.285 2.108 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[C@@H](F)C2)cc1 ZINC000360370930 268092192 /nfs/dbraw/zinc/09/21/92/268092192.db2.gz GBFKOLLXLYZGAR-KFWWJZLASA-N 0 3 285.322 2.247 20 30 CEEDHN Cn1cc(CNCCN2CCCC(C)(C)C2)cc1C#N ZINC000444016982 268128665 /nfs/dbraw/zinc/12/86/65/268128665.db2.gz OJLAHXHSJXUYMA-UHFFFAOYSA-N 0 3 274.412 2.108 20 30 CEEDHN N#Cc1cc(CN2CC[C@H](CCCO)C2)ccc1F ZINC000452117493 268179825 /nfs/dbraw/zinc/17/98/25/268179825.db2.gz DCOWSOVZWRYTIX-LBPRGKRZSA-N 0 3 262.328 2.292 20 30 CEEDHN N#Cc1cc(CN2CC[C@@H](CCCO)C2)ccc1F ZINC000452117492 268180158 /nfs/dbraw/zinc/18/01/58/268180158.db2.gz DCOWSOVZWRYTIX-GFCCVEGCSA-N 0 3 262.328 2.292 20 30 CEEDHN N#Cc1ccc(NC[C@@H]2CCN2C2CCCC2)cn1 ZINC000528212870 268248705 /nfs/dbraw/zinc/24/87/05/268248705.db2.gz YGOHRZSUENZPSY-HNNXBMFYSA-N 0 3 256.353 2.382 20 30 CEEDHN C[C@H](N[C@@H](CO)CC(F)F)c1cccc(C#N)c1 ZINC000429454214 271331743 /nfs/dbraw/zinc/33/17/43/271331743.db2.gz NRENXSFGNWUHHI-JOYOIKCWSA-N 0 3 254.280 2.225 20 30 CEEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc(C#N)o2)C1 ZINC000429809210 271345970 /nfs/dbraw/zinc/34/59/70/271345970.db2.gz RHEUOIRZLRYXDM-LBPRGKRZSA-N 0 3 289.379 2.392 20 30 CEEDHN C[C@@H](N[C@@H]1CNCCC1(F)F)c1ccc(C#N)cc1 ZINC000335568943 274259705 /nfs/dbraw/zinc/25/97/05/274259705.db2.gz OWHBCOZIZOXAHP-ZWNOBZJWSA-N 0 3 265.307 2.206 20 30 CEEDHN C#CCCN[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000277098116 276777395 /nfs/dbraw/zinc/77/73/95/276777395.db2.gz SUTLINQPCBTCKK-ZFWWWQNUSA-N 0 3 294.757 2.364 20 30 CEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000346272118 276926944 /nfs/dbraw/zinc/92/69/44/276926944.db2.gz CBIFNVFSOQEQPE-RDJZCZTQSA-N 0 3 290.407 2.041 20 30 CEEDHN CS[C@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1N(C)C ZINC000272061303 278166527 /nfs/dbraw/zinc/16/65/27/278166527.db2.gz SDOOJCUJAOVMRX-CVEARBPZSA-N 0 3 292.423 2.155 20 30 CEEDHN C[C@@H](CO)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352836441 278287917 /nfs/dbraw/zinc/28/79/17/278287917.db2.gz UIDATASRHNUEPR-SECBINFHSA-N 0 3 272.270 2.295 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CCCCC(=O)N1 ZINC000329869904 288114458 /nfs/dbraw/zinc/11/44/58/288114458.db2.gz ZNGDBCAKTLKDMH-RTXFEEFZSA-N 0 3 279.384 2.325 20 30 CEEDHN C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)C(=O)N(C)C ZINC000336083602 279534654 /nfs/dbraw/zinc/53/46/54/279534654.db2.gz KFBYMBMOIPHSIO-LRDDRELGSA-N 0 3 285.391 2.392 20 30 CEEDHN CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)[C@@H]1C1CC1 ZINC000329732383 281146420 /nfs/dbraw/zinc/14/64/20/281146420.db2.gz ITRKQYGNBPVIIS-BXUZGUMPSA-N 0 3 288.395 2.301 20 30 CEEDHN CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)[C@@H]1C1CC1 ZINC000329732383 281146421 /nfs/dbraw/zinc/14/64/21/281146421.db2.gz ITRKQYGNBPVIIS-BXUZGUMPSA-N 0 3 288.395 2.301 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(C(C)(C)C)CC1 ZINC000172032502 335090329 /nfs/dbraw/zinc/09/03/29/335090329.db2.gz VJLVNBJXJPSNGE-GFCCVEGCSA-N 0 3 295.427 2.145 20 30 CEEDHN N#C[C@H]1CC[C@H](N2CCC(CN3CCCCC3=O)CC2)C1 ZINC000336602012 294844215 /nfs/dbraw/zinc/84/42/15/294844215.db2.gz UPKVGHNGYPLIQJ-HOTGVXAUSA-N 0 3 289.423 2.403 20 30 CEEDHN N#Cc1ccnc(C(=O)N2CCC[C@@H]2CN2CCCCC2)c1 ZINC000289178078 294974641 /nfs/dbraw/zinc/97/46/41/294974641.db2.gz QVFOFCHENHVNGP-OAHLLOKOSA-N 0 3 298.390 2.044 20 30 CEEDHN C[C@@H](CNC(=O)c1ccc(Cl)c(C#N)c1)N1CCCC1 ZINC000542705930 298298454 /nfs/dbraw/zinc/29/84/54/298298454.db2.gz KOUDNZSQNDDUDL-NSHDSACASA-N 0 3 291.782 2.426 20 30 CEEDHN COC[C@@H](N[C@H](C)C(=O)Nc1ccccc1C#N)C(C)C ZINC000543453552 298309204 /nfs/dbraw/zinc/30/92/04/298309204.db2.gz OMZIWZZOPSPJLS-IUODEOHRSA-N 0 3 289.379 2.146 20 30 CEEDHN C[C@@H]1C[C@@H](C)N1CCC(=O)Nc1sccc1C#N ZINC000548096804 298393779 /nfs/dbraw/zinc/39/37/79/298393779.db2.gz YOCDTMDOAHXKJR-NXEZZACHSA-N 0 3 263.366 2.431 20 30 CEEDHN CC1(C)[C@H](O)C[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000570939237 327637292 /nfs/dbraw/zinc/63/72/92/327637292.db2.gz FYKUAHUIUOZDRD-ZIAGYGMSSA-N 0 3 263.768 2.441 20 30 CEEDHN N#Cc1cccc(NC(=O)CCN2C[C@@H]3C[C@H]2CS3)c1 ZINC000570801060 314059676 /nfs/dbraw/zinc/05/96/76/314059676.db2.gz XSUDHQRYNNUKGM-KBPBESRZSA-N 0 3 287.388 2.077 20 30 CEEDHN N#Cc1cncnc1NC[C@@H](c1cccs1)N1CCCC1 ZINC000573881597 314178335 /nfs/dbraw/zinc/17/83/35/314178335.db2.gz UXOINIXVZCQCNL-ZDUSSCGKSA-N 0 3 299.403 2.081 20 30 CEEDHN Cc1cc(CN[C@@H]2CCC(=O)N[C@H]2C2CC2)ccc1C#N ZINC000577197888 314351279 /nfs/dbraw/zinc/35/12/79/314351279.db2.gz YEWGRYCUTUXOIO-WBVHZDCISA-N 0 3 283.375 2.014 20 30 CEEDHN Cc1c(Cl)cnc(N2CCNC[C@](C)(F)C2)c1C#N ZINC000578427507 314478137 /nfs/dbraw/zinc/47/81/37/314478137.db2.gz WWBFAYBWKDVVCB-ZDUSSCGKSA-N 0 3 282.750 2.053 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CC(C)(C)C ZINC000339249066 328003466 /nfs/dbraw/zinc/00/34/66/328003466.db2.gz LFSKFCWFEXFVAC-WFASDCNBSA-N 0 3 267.417 2.407 20 30 CEEDHN CN(C(=O)[C@H]1CC12CCN(CCCC#N)CC2)C1CC1 ZINC000378463135 329051848 /nfs/dbraw/zinc/05/18/48/329051848.db2.gz PBXOMTILUHHAHO-CQSZACIVSA-N 0 3 275.396 2.013 20 30 CEEDHN C=CCN1CC[C@@H](N(CC)C2CC(C)(C)C2)C1=O ZINC000412041181 328102177 /nfs/dbraw/zinc/10/21/77/328102177.db2.gz SLEXJNAEWCHAPJ-CYBMUJFWSA-N 0 3 250.386 2.284 20 30 CEEDHN Cn1ccnc1[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC000571445979 328121818 /nfs/dbraw/zinc/12/18/18/328121818.db2.gz FARCEJKNPYEWKJ-MRXNPFEDSA-N 0 3 265.360 2.261 20 30 CEEDHN C=CC[C@H](Cc1ccccc1)N[C@@H](C)CS(C)(=O)=O ZINC000414306147 328154183 /nfs/dbraw/zinc/15/41/83/328154183.db2.gz QSKGJIYFKGPEMR-DZGCQCFKSA-N 0 3 281.421 2.197 20 30 CEEDHN C=CCCCCCN(C)[C@H](C)C(=O)N(C)CCC#N ZINC000265793202 328166746 /nfs/dbraw/zinc/16/67/46/328166746.db2.gz MREOZRBLMSVKSI-CQSZACIVSA-N 0 3 265.401 2.425 20 30 CEEDHN CC[C@@H](C)NC(=[NH2+])NCc1c([O-])ccc2c1CCCC2 ZINC000267395161 328177851 /nfs/dbraw/zinc/17/78/51/328177851.db2.gz DVSITEQZBMFVGB-LLVKDONJSA-N 0 3 275.396 2.474 20 30 CEEDHN C[C@H](NCCCC#N)c1ccc2c(c1)CC(=O)N2C ZINC000271862686 328198370 /nfs/dbraw/zinc/19/83/70/328198370.db2.gz UJJSIGPBXIVJAH-NSHDSACASA-N 0 3 257.337 2.160 20 30 CEEDHN CN(CCNC(=O)CC(C)(C)C#N)Cc1ccccc1 ZINC000278195808 328224646 /nfs/dbraw/zinc/22/46/46/328224646.db2.gz FFXOYHAHGUNJHW-UHFFFAOYSA-N 0 3 273.380 2.174 20 30 CEEDHN C=C(C)COCCNCc1cc(OC)c(O)c(OC)c1 ZINC000163583384 328227422 /nfs/dbraw/zinc/22/74/22/328227422.db2.gz HZOORBVTXLGOSF-UHFFFAOYSA-N 0 3 281.352 2.092 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000181096363 329226090 /nfs/dbraw/zinc/22/60/90/329226090.db2.gz SCMQGULFBIZYJT-KBPBESRZSA-N 0 3 267.417 2.324 20 30 CEEDHN CN(C)CCOc1cccc(NC(=O)C(C)(C)C#N)c1 ZINC000340292093 328253355 /nfs/dbraw/zinc/25/33/55/328253355.db2.gz OFQPHRDRSBPUJQ-UHFFFAOYSA-N 0 3 275.352 2.115 20 30 CEEDHN N#CC1CCN(C(=O)C2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000289550098 328255200 /nfs/dbraw/zinc/25/52/00/328255200.db2.gz GDLYKFOZJRRIBO-HUUCEWRRSA-N 0 3 298.342 2.053 20 30 CEEDHN C[C@H](CCO)N(CCOCCC#N)Cc1ccccc1 ZINC000293749584 328277346 /nfs/dbraw/zinc/27/73/46/328277346.db2.gz INYCHXQDTTXUCN-OAHLLOKOSA-N 0 3 276.380 2.190 20 30 CEEDHN CC1(C)[C@H](O)C[C@@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000580343380 322312804 /nfs/dbraw/zinc/31/28/04/322312804.db2.gz NGPGBFDNWVVHRZ-QWHCGFSZSA-N 0 3 296.317 2.409 20 30 CEEDHN COc1ccccc1[C@@H](NC(=O)C(C)C#N)c1ccccn1 ZINC000340743020 328399391 /nfs/dbraw/zinc/39/93/91/328399391.db2.gz VBUBVFFJCGAHLX-BLLLJJGKSA-N 0 3 295.342 2.455 20 30 CEEDHN C=CC[C@H](CO)CNCc1cn(C(C)C)nc1C ZINC000341365563 328406924 /nfs/dbraw/zinc/40/69/24/328406924.db2.gz JXSYJMLOOLUCTA-ZDUSSCGKSA-N 0 3 251.374 2.047 20 30 CEEDHN C=C(C)COCCNCc1cccc2c1OCCO2 ZINC000125810640 326899284 /nfs/dbraw/zinc/89/92/84/326899284.db2.gz LJLJPXWDVJCRMS-UHFFFAOYSA-N 0 3 263.337 2.140 20 30 CEEDHN Cc1nn(C)c(C)c1CCCNC[C@@H](C#N)CCC#N ZINC000557432263 327005465 /nfs/dbraw/zinc/00/54/65/327005465.db2.gz LBKWNMVVSIWEQF-CQSZACIVSA-N 0 3 273.384 2.003 20 30 CEEDHN CN(CCC(=O)N(CCC#N)CC1CC1)c1ccncc1 ZINC000557714559 327022205 /nfs/dbraw/zinc/02/22/05/327022205.db2.gz PTYYDCDDCHVMLZ-UHFFFAOYSA-N 0 3 286.379 2.060 20 30 CEEDHN COc1ccccc1CN(CCO)CCCSCC#N ZINC000074990224 327122822 /nfs/dbraw/zinc/12/28/22/327122822.db2.gz QWAMUNXIQKOWLN-UHFFFAOYSA-N 0 3 294.420 2.136 20 30 CEEDHN CCN(CC)CC(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000569522170 327191230 /nfs/dbraw/zinc/19/12/30/327191230.db2.gz CLZZLECPJQRLON-OAHLLOKOSA-N 0 3 265.401 2.307 20 30 CEEDHN C=CCCCC(=O)N1CCc2ccccc2[C@H]1CN ZINC000569608668 327209826 /nfs/dbraw/zinc/20/98/26/327209826.db2.gz MRPFHLYHVOROPW-OAHLLOKOSA-N 0 3 258.365 2.427 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H](C)CC(C)(C)O ZINC000294951597 327585908 /nfs/dbraw/zinc/58/59/08/327585908.db2.gz DABOHXNYWDUKFE-ZDUSSCGKSA-N 0 3 261.365 2.338 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(Br)cn1 ZINC000390468670 328968465 /nfs/dbraw/zinc/96/84/65/328968465.db2.gz ILKFXPWGQWRGTB-ONGXEEELSA-N 0 3 285.185 2.432 20 30 CEEDHN C=CCCCCCNC(=O)N1CCCN(CC)CC1 ZINC000582496156 329101060 /nfs/dbraw/zinc/10/10/60/329101060.db2.gz YRADUTAEBZIBAA-UHFFFAOYSA-N 0 3 267.417 2.470 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1C[C@H](C)CC[C@H]1C ZINC000174469249 329159024 /nfs/dbraw/zinc/15/90/24/329159024.db2.gz HTXLLDLQHJRPDH-ZIAGYGMSSA-N 0 3 250.386 2.307 20 30 CEEDHN C=CCN1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000176412333 329175344 /nfs/dbraw/zinc/17/53/44/329175344.db2.gz VUWGXABLVCNRFU-LLVKDONJSA-N 0 3 250.308 2.379 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C)[C@H]2C)CC1 ZINC000178666975 329201890 /nfs/dbraw/zinc/20/18/90/329201890.db2.gz JDYQOBDQPUCMHS-ZIAGYGMSSA-N 0 3 279.428 2.467 20 30 CEEDHN C#CCCCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000184198758 329257251 /nfs/dbraw/zinc/25/72/51/329257251.db2.gz UASZSKUHYDHSLZ-RDJZCZTQSA-N 0 3 299.418 2.220 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2(OC)CCCCC2)CC1 ZINC000185331000 329270597 /nfs/dbraw/zinc/27/05/97/329270597.db2.gz DKSBFAHBBRFVHR-UHFFFAOYSA-N 0 3 294.439 2.492 20 30 CEEDHN C#C[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000185361825 329271088 /nfs/dbraw/zinc/27/10/88/329271088.db2.gz VNIPYAWKKLZANK-ZFWWWQNUSA-N 0 3 288.366 2.176 20 30 CEEDHN CC[C@H]1[C@H](C)CCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000185676588 329328777 /nfs/dbraw/zinc/32/87/77/329328777.db2.gz YSBIXFBWRMEZAZ-MJBXVCDLSA-N 0 3 265.401 2.115 20 30 CEEDHN CC(C)(C)N1C[C@@H](N[C@H]2CCC[C@H](C#N)C2)CC1=O ZINC000185852902 329333673 /nfs/dbraw/zinc/33/36/73/329333673.db2.gz AWJUKZDBFJMIDI-AVGNSLFASA-N 0 3 263.385 2.058 20 30 CEEDHN C=CCCCN(C)C(=O)NC[C@H](N)c1ccccc1 ZINC000418449164 329532648 /nfs/dbraw/zinc/53/26/48/329532648.db2.gz KBHSIRUDUBWUDP-AWEZNQCLSA-N 0 3 261.369 2.294 20 30 CEEDHN C=CCCCCCN(C)C(=O)N[C@H]1CNCCC1(F)F ZINC000418741315 329547310 /nfs/dbraw/zinc/54/73/10/329547310.db2.gz APAGHFACUKGHMX-LBPRGKRZSA-N 0 3 289.370 2.371 20 30 CEEDHN C=CCC[C@H](CO)NCc1nc2ccccc2n1CC ZINC000320656413 329960412 /nfs/dbraw/zinc/96/04/12/329960412.db2.gz PVEOHSAVCYEPMI-CYBMUJFWSA-N 0 3 273.380 2.473 20 30 CEEDHN C=CCCC1(C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000421712092 330069458 /nfs/dbraw/zinc/06/94/58/330069458.db2.gz PXBGZUGPSDMDQE-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCN1CCC(N[C@H](C)c2cc(C(=O)OC)co2)CC1 ZINC000278367485 330119389 /nfs/dbraw/zinc/11/93/89/330119389.db2.gz BXKBMIJDAGHPIE-GFCCVEGCSA-N 0 3 292.379 2.367 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1c1cccs1 ZINC000424065399 330219317 /nfs/dbraw/zinc/21/93/17/330219317.db2.gz LFMMWXGAEQJSDF-RYUDHWBXSA-N 0 3 277.393 2.433 20 30 CEEDHN CC1CCC(N(C)C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424067641 330219562 /nfs/dbraw/zinc/21/95/62/330219562.db2.gz QBWVXKLPZHIJPF-BPCQOVAHSA-N 0 3 251.374 2.045 20 30 CEEDHN CCCn1c2ccccc2nc1NC(=O)[C@@H](N)CCCC#N ZINC000424085199 330222873 /nfs/dbraw/zinc/22/28/73/330222873.db2.gz ZEXFEFACXYDQFD-LBPRGKRZSA-N 0 3 299.378 2.406 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000424082121 330223783 /nfs/dbraw/zinc/22/37/83/330223783.db2.gz VUNURUPAGFXXHR-LBPRGKRZSA-N 0 3 299.296 2.343 20 30 CEEDHN CCOc1ccccc1CN(C)C(=O)[C@H](N)CCCC#N ZINC000424092687 330226003 /nfs/dbraw/zinc/22/60/03/330226003.db2.gz PJMGLUCQSFPLKC-CQSZACIVSA-N 0 3 289.379 2.065 20 30 CEEDHN CCOc1cc(F)ccc1NC(=O)[C@H](N)CCCC#N ZINC000424102001 330233445 /nfs/dbraw/zinc/23/34/45/330233445.db2.gz QDIHBBJWLCGAMN-LLVKDONJSA-N 0 3 279.315 2.184 20 30 CEEDHN C=CCOc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424106331 330234416 /nfs/dbraw/zinc/23/44/16/330234416.db2.gz SCFFGZOCVKIHPC-CQSZACIVSA-N 0 3 273.336 2.211 20 30 CEEDHN CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000424110037 330237367 /nfs/dbraw/zinc/23/73/67/330237367.db2.gz BUSLTGSCZPGBMO-MCIONIFRSA-N 0 3 265.401 2.483 20 30 CEEDHN CCCC[C@@H]1CCC[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000424110038 330237499 /nfs/dbraw/zinc/23/74/99/330237499.db2.gz BUSLTGSCZPGBMO-MGPQQGTHSA-N 0 3 265.401 2.483 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000424112877 330241218 /nfs/dbraw/zinc/24/12/18/330241218.db2.gz LSCMQXCFNVYXAE-ZIAGYGMSSA-N 0 3 287.363 2.038 20 30 CEEDHN CCC[C@]1(C)CCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424118222 330243982 /nfs/dbraw/zinc/24/39/82/330243982.db2.gz CZCHNTRSVIPJHB-DZGCQCFKSA-N 0 3 265.401 2.436 20 30 CEEDHN COc1ccc(N(C)C(=O)[C@H](N)CCCC#N)cc1Cl ZINC000424117789 330244059 /nfs/dbraw/zinc/24/40/59/330244059.db2.gz BWCFTOLCGFBUIC-GFCCVEGCSA-N 0 3 295.770 2.333 20 30 CEEDHN Cc1nc(C)c([C@@H](C)N(C)C(=O)[C@H](N)CCCC#N)s1 ZINC000424143980 330288080 /nfs/dbraw/zinc/28/80/80/330288080.db2.gz KLZDOHUEIJHPJE-ZYHUDNBSSA-N 0 3 294.424 2.301 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000424146602 330293260 /nfs/dbraw/zinc/29/32/60/330293260.db2.gz WVAWGGIPZDYDMA-ZDUSSCGKSA-N 0 3 291.782 2.466 20 30 CEEDHN CCS[C@@H]1CCC[C@H](NC(=O)[C@H](N)CCCC#N)C1 ZINC000424149675 330295865 /nfs/dbraw/zinc/29/58/65/330295865.db2.gz HOKMNANOSHDNQW-YNEHKIRRSA-N 0 3 283.441 2.188 20 30 CEEDHN C[C@H](CC1CCCCC1)NC(=O)[C@@H](N)CCCC#N ZINC000424172777 330312775 /nfs/dbraw/zinc/31/27/75/330312775.db2.gz KRKLCSNELRZCQL-OCCSQVGLSA-N 0 3 265.401 2.483 20 30 CEEDHN Cc1c(NC(=O)[C@@H](N)CCCC#N)cnn1-c1ccccc1 ZINC000424173193 330313547 /nfs/dbraw/zinc/31/35/47/330313547.db2.gz NVALHHYJVPVMOB-AWEZNQCLSA-N 0 3 297.362 2.140 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC(c2ccsc2)CC1 ZINC000424177753 330317719 /nfs/dbraw/zinc/31/77/19/330317719.db2.gz VCCMTTSOVUAQFN-CQSZACIVSA-N 0 3 291.420 2.475 20 30 CEEDHN C=CCN(CCC#N)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424428591 330351774 /nfs/dbraw/zinc/35/17/74/330351774.db2.gz UFQFJJSNQDOTMO-UHFFFAOYSA-N 0 3 272.352 2.387 20 30 CEEDHN N#CCCCOc1cccc(CN[C@H](CO)CC(F)F)c1 ZINC000428654208 330528950 /nfs/dbraw/zinc/52/89/50/330528950.db2.gz YDPAUAQAJGFWHP-ZDUSSCGKSA-N 0 3 298.333 2.475 20 30 CEEDHN CN(C)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433016277 330612207 /nfs/dbraw/zinc/61/22/07/330612207.db2.gz PBXZWGFVXHIXEQ-CQSZACIVSA-N 0 3 259.353 2.099 20 30 CEEDHN C=CCN1CC[C@H](N(C)C2CC(OC(C)(C)C)C2)C1=O ZINC000450909689 331006609 /nfs/dbraw/zinc/00/66/09/331006609.db2.gz TXNGGDYSUIFHSG-RUXDESIVSA-N 0 3 280.412 2.051 20 30 CEEDHN CC[C@H](CO)N(C)CC#Cc1ccccc1Cl ZINC000451159004 331018148 /nfs/dbraw/zinc/01/81/48/331018148.db2.gz OISUARDAWBQUHL-CYBMUJFWSA-N 0 3 251.757 2.394 20 30 CEEDHN C=CCC[C@H](CO)NCc1nc(-c2ccccc2)c[nH]1 ZINC000451251395 331022065 /nfs/dbraw/zinc/02/20/65/331022065.db2.gz VHKLOUYGWVMYSP-CQSZACIVSA-N 0 3 271.364 2.493 20 30 CEEDHN CC(C)C[C@@]1(C)CCCN1CC(=O)NC1(C#N)CCC1 ZINC000451288776 331023321 /nfs/dbraw/zinc/02/33/21/331023321.db2.gz IUTWRNWXRONBLM-OAHLLOKOSA-N 0 3 277.412 2.449 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc([N+](=O)[O-])c1C ZINC000451606223 331036400 /nfs/dbraw/zinc/03/64/00/331036400.db2.gz MSJMZIHSYXLJSM-OCCSQVGLSA-N 0 3 262.309 2.336 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCCc2ccccc2CC1 ZINC000451740832 331040888 /nfs/dbraw/zinc/04/08/88/331040888.db2.gz MEQSJMYZWAMTBM-AWEZNQCLSA-N 0 3 272.392 2.168 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451868346 331045562 /nfs/dbraw/zinc/04/55/62/331045562.db2.gz DNBSVNKYERHKBG-QWHCGFSZSA-N 0 3 294.361 2.130 20 30 CEEDHN COC(=O)[C@@H]1CN(CCCC#N)C[C@@H]1c1ccccc1 ZINC000451995177 331049613 /nfs/dbraw/zinc/04/96/13/331049613.db2.gz NBIUZAGUXAGWAN-HUUCEWRRSA-N 0 3 272.348 2.179 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CCC[C@H]1OCC ZINC000452020011 331050725 /nfs/dbraw/zinc/05/07/25/331050725.db2.gz MUMJMGXFMHUEFI-RRFJBIMHSA-N 0 3 280.412 2.123 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452049144 331052167 /nfs/dbraw/zinc/05/21/67/331052167.db2.gz RMTFCVXQAOYISY-LFYQSXPISA-N 0 3 289.423 2.115 20 30 CEEDHN Cc1cccc([C@@H](C)N[C@@H](C)C(=O)N(C)CCC#N)c1 ZINC000452088892 331053608 /nfs/dbraw/zinc/05/36/08/331053608.db2.gz PJWSWQIBUSTVJY-KGLIPLIRSA-N 0 3 273.380 2.406 20 30 CEEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)C(=O)NCCc1ccccc1 ZINC000453408816 331129543 /nfs/dbraw/zinc/12/95/43/331129543.db2.gz NTKHPQZOQKBLSN-VNQPRFMTSA-N 0 3 285.391 2.016 20 30 CEEDHN C=CCNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000454147320 331139786 /nfs/dbraw/zinc/13/97/86/331139786.db2.gz OFGLAFLHQCSCAY-HNNXBMFYSA-N 0 3 287.407 2.336 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@](C)(CC)OC)CC1 ZINC000454464249 331146768 /nfs/dbraw/zinc/14/67/68/331146768.db2.gz MVVGPOUWRYDRBG-MRXNPFEDSA-N 0 3 297.443 2.141 20 30 CEEDHN C=C(C)CCNC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000454520464 331147809 /nfs/dbraw/zinc/14/78/09/331147809.db2.gz XIBQLKXWYGWAPH-KBPBESRZSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](CC3CC3)C2)CC1 ZINC000454552928 331148706 /nfs/dbraw/zinc/14/87/06/331148706.db2.gz UPMBHGFLLRSHII-OAHLLOKOSA-N 0 3 291.439 2.468 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000454608246 331149689 /nfs/dbraw/zinc/14/96/89/331149689.db2.gz FKHYHEMQMRRDIK-ILXRZTDVSA-N 0 3 292.427 2.242 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000454608248 331149746 /nfs/dbraw/zinc/14/97/46/331149746.db2.gz FKHYHEMQMRRDIK-KKUMJFAQSA-N 0 3 292.427 2.242 20 30 CEEDHN CC#CCNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000454729094 331152484 /nfs/dbraw/zinc/15/24/84/331152484.db2.gz GGAAKMYSKNSYSK-INIZCTEOSA-N 0 3 299.418 2.173 20 30 CEEDHN CN1CC=C(CNC(=O)Nc2cccc(CC#N)c2)CC1 ZINC000455912321 331180728 /nfs/dbraw/zinc/18/07/28/331180728.db2.gz XGGVMDHUPIGCBW-UHFFFAOYSA-N 0 3 284.363 2.136 20 30 CEEDHN CC[C@@H](NC(=O)C(C#N)CCc1ccccc1)[C@@H](O)CC ZINC000456660462 331198565 /nfs/dbraw/zinc/19/85/65/331198565.db2.gz JHJMSDJYVWODMS-OAGGEKHMSA-N 0 3 288.391 2.425 20 30 CEEDHN CN1CCC(CC(=O)Nc2cccc(CC#N)c2)CC1 ZINC000456759358 331200680 /nfs/dbraw/zinc/20/06/80/331200680.db2.gz VTNVMYJKEUEOHK-UHFFFAOYSA-N 0 3 271.364 2.423 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@]2(C)CCCCO2)CC1 ZINC000457533865 331226181 /nfs/dbraw/zinc/22/61/81/331226181.db2.gz BLQQJWSFTVJSMZ-INIZCTEOSA-N 0 3 280.412 2.102 20 30 CEEDHN C[C@@H](CNC(=O)N(C)CC(C)(C)C#N)N1CCCC[C@@H]1C ZINC000457706661 331231818 /nfs/dbraw/zinc/23/18/18/331231818.db2.gz MBHZBRRTJBEMRN-KBPBESRZSA-N 0 3 294.443 2.440 20 30 CEEDHN C[C@H](CNC(=O)N(C)CC(C)(C)C#N)N1CCC[C@H](C)C1 ZINC000457717510 331232324 /nfs/dbraw/zinc/23/23/24/331232324.db2.gz UTOBOQMIQNHPRO-UONOGXRCSA-N 0 3 294.443 2.298 20 30 CEEDHN CC#CCN(C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000457754219 331233279 /nfs/dbraw/zinc/23/32/79/331233279.db2.gz PAQXJLBARKABNI-KRWDZBQOSA-N 0 3 299.418 2.488 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)N(C)CC(C)(C)C#N ZINC000458406602 331250892 /nfs/dbraw/zinc/25/08/92/331250892.db2.gz COFMDZUCPCZZLX-AWEZNQCLSA-N 0 3 294.443 2.442 20 30 CEEDHN CC(C)(CC#N)CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000458706859 331257362 /nfs/dbraw/zinc/25/73/62/331257362.db2.gz NPYIOJYHPXDNEA-AWEZNQCLSA-N 0 3 292.427 2.242 20 30 CEEDHN CN(C)CCNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458803405 331260131 /nfs/dbraw/zinc/26/01/31/331260131.db2.gz REODAQIFRKZVSI-HNNXBMFYSA-N 0 3 288.395 2.282 20 30 CEEDHN C=C(CC)CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000459104674 331270543 /nfs/dbraw/zinc/27/05/43/331270543.db2.gz VOLOMAHAOAFFCG-SOUVJXGZSA-N 0 3 279.428 2.324 20 30 CEEDHN C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)CC#N)CCN1C ZINC000459254900 331273265 /nfs/dbraw/zinc/27/32/65/331273265.db2.gz GLBZTDLPTTYZIC-QWHCGFSZSA-N 0 3 280.416 2.050 20 30 CEEDHN CC(C)(CC#N)CNCc1ccc2c(c1)OCCO2 ZINC000459698646 331294992 /nfs/dbraw/zinc/29/49/92/331294992.db2.gz QQJSWJNNYRABAI-UHFFFAOYSA-N 0 3 260.337 2.487 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1C[C@@H](OC)C12CCC2 ZINC000459748055 331298089 /nfs/dbraw/zinc/29/80/89/331298089.db2.gz GGSGWIJQRIFTCR-RRFJBIMHSA-N 0 3 292.423 2.123 20 30 CEEDHN CN1CCC(CC(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000488550685 332016851 /nfs/dbraw/zinc/01/68/51/332016851.db2.gz QPUWVYPHNTWDDQ-UHFFFAOYSA-N 0 3 288.366 2.025 20 30 CEEDHN C=C(C)CNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000488652152 332020739 /nfs/dbraw/zinc/02/07/39/332020739.db2.gz YGWUHAZFJKDOKR-QWHCGFSZSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCn1cccc1C(=O)NC1CCN(CC=C)CC1 ZINC000488847180 332029146 /nfs/dbraw/zinc/02/91/46/332029146.db2.gz AGTWPAQPCGGKFT-UHFFFAOYSA-N 0 3 273.380 2.054 20 30 CEEDHN C=CCn1cccc1C(=O)NC1CCN(CC(=C)C)CC1 ZINC000488851959 332029498 /nfs/dbraw/zinc/02/94/98/332029498.db2.gz JFIPXUMXZWBUAC-UHFFFAOYSA-N 0 3 287.407 2.444 20 30 CEEDHN C=CCn1cccc1C(=O)NCCN(C)CCCC ZINC000488990969 332036865 /nfs/dbraw/zinc/03/68/65/332036865.db2.gz ZFVOJBGBSSECAB-UHFFFAOYSA-N 0 3 263.385 2.136 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)C1(C)CCCC1 ZINC000489894074 332072023 /nfs/dbraw/zinc/07/20/23/332072023.db2.gz ZJWNNCCUBDPLHF-HNNXBMFYSA-N 0 3 265.401 2.305 20 30 CEEDHN CCCN(C)CC(=O)N[C@H](C#N)c1ccc(CC)cc1 ZINC000489962228 332074635 /nfs/dbraw/zinc/07/46/35/332074635.db2.gz JEZBMMBVFADBNH-OAHLLOKOSA-N 0 3 273.380 2.272 20 30 CEEDHN C=CCCCCNC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000490232107 332085169 /nfs/dbraw/zinc/08/51/69/332085169.db2.gz UGOWTBXXJOGTMJ-HNNXBMFYSA-N 0 3 265.401 2.080 20 30 CEEDHN C#C[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C(C)C ZINC000490635967 332098410 /nfs/dbraw/zinc/09/84/10/332098410.db2.gz KIWMHGFPEHMTMQ-KGLIPLIRSA-N 0 3 250.386 2.023 20 30 CEEDHN C#C[C@H](NC(=O)[C@@H]1CCCCN1C(C)C)C(C)C ZINC000490635965 332098436 /nfs/dbraw/zinc/09/84/36/332098436.db2.gz KIWMHGFPEHMTMQ-KBPBESRZSA-N 0 3 250.386 2.023 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](C)Cc1ccccc1F ZINC000491268321 332177993 /nfs/dbraw/zinc/17/79/93/332177993.db2.gz YVACSZQPDMDBEF-CQSZACIVSA-N 0 3 290.382 2.076 20 30 CEEDHN C#CCN(Cc1ccc(CN2CCOCC2)cc1)C1CC1 ZINC000491304512 332186041 /nfs/dbraw/zinc/18/60/41/332186041.db2.gz GNCOXSVRLBMCPR-UHFFFAOYSA-N 0 3 284.403 2.116 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000491326548 332190590 /nfs/dbraw/zinc/19/05/90/332190590.db2.gz NYXUAKLTDYYRCR-CWRNSKLLSA-N 0 3 285.391 2.095 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)CCN1CCc2ccccc2C1 ZINC000491337715 332192136 /nfs/dbraw/zinc/19/21/36/332192136.db2.gz CEVRLZYVPFAQHF-KRWDZBQOSA-N 0 3 284.403 2.353 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]2c2ccc(C)cc2)CC1 ZINC000491473186 332217560 /nfs/dbraw/zinc/21/75/60/332217560.db2.gz BMAOUPDPSYKKSS-ZWKOTPCHSA-N 0 3 296.414 2.312 20 30 CEEDHN C#C[C@@H](CC)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000491474945 332218337 /nfs/dbraw/zinc/21/83/37/332218337.db2.gz REWYYRATNBSYMX-UONOGXRCSA-N 0 3 250.386 2.025 20 30 CEEDHN C#CCNC(=O)CCN[C@H]1CCc2sc(Cl)cc21 ZINC000491508034 332225711 /nfs/dbraw/zinc/22/57/11/332225711.db2.gz YDPUMUCUDLFSBN-JTQLQIEISA-N 0 3 282.796 2.118 20 30 CEEDHN C#CCNC(=O)CCNCc1ccc2[nH]c(C)c(C)c2c1 ZINC000491653857 332266289 /nfs/dbraw/zinc/26/62/89/332266289.db2.gz DMKZPPMUNXAOTO-UHFFFAOYSA-N 0 3 283.375 2.014 20 30 CEEDHN C#C[C@H](C)N(C)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000491660093 332270623 /nfs/dbraw/zinc/27/06/23/332270623.db2.gz NFKFTLACJZNAFA-ZVZYQTTQSA-N 0 3 287.403 2.395 20 30 CEEDHN C#CCN(C)CCCNC(=O)CC1(C)CCCC1 ZINC000491680630 332284235 /nfs/dbraw/zinc/28/42/35/332284235.db2.gz JJUYAKSNGUZXRY-UHFFFAOYSA-N 0 3 250.386 2.028 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000491682722 332285432 /nfs/dbraw/zinc/28/54/32/332285432.db2.gz ULQUEEFONFCEPP-LSDHHAIUSA-N 0 3 279.428 2.162 20 30 CEEDHN C#C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)c1ccc(F)cc1 ZINC000491744884 332322847 /nfs/dbraw/zinc/32/28/47/332322847.db2.gz ZUWSBVPHSGIDSR-CABCVRRESA-N 0 3 276.355 2.202 20 30 CEEDHN C#CCN(C[C@@H]1CCCNC1=O)[C@@H]1CCc2ccccc21 ZINC000491745041 332322873 /nfs/dbraw/zinc/32/28/73/332322873.db2.gz TUNZRFJGFYCTBI-DOTOQJQBSA-N 0 3 282.387 2.135 20 30 CEEDHN C#CCN(C)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000491805220 332358914 /nfs/dbraw/zinc/35/89/14/332358914.db2.gz NSWFKZAFJRMONV-CYBMUJFWSA-N 0 3 266.385 2.199 20 30 CEEDHN C#C[C@H](CC)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000491821147 332370662 /nfs/dbraw/zinc/37/06/62/332370662.db2.gz ZSKKUKXRIPSTEB-MRXNPFEDSA-N 0 3 299.418 2.362 20 30 CEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)/C=C\CN(C)C ZINC000493716486 332451076 /nfs/dbraw/zinc/45/10/76/332451076.db2.gz CDJCNEVLZQSFIF-LJEUOOAZSA-N 0 3 272.392 2.408 20 30 CEEDHN C=CCOCCN1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000495732720 332528578 /nfs/dbraw/zinc/52/85/78/332528578.db2.gz XTHYOEOJDASBHP-UHFFFAOYSA-N 0 3 298.427 2.426 20 30 CEEDHN C#C[C@H](NC[C@H](O)COc1ccc(Cl)cc1)C(C)C ZINC000311287818 333066700 /nfs/dbraw/zinc/06/67/00/333066700.db2.gz NFBHJQNIRBDFHY-ZFWWWQNUSA-N 0 3 281.783 2.327 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](c2cccnc2)C1 ZINC000516766536 333082165 /nfs/dbraw/zinc/08/21/65/333082165.db2.gz MQOXDVBAEOLPFJ-NVXWUHKLSA-N 0 3 299.418 2.460 20 30 CEEDHN C=CCCCCCN1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000193330526 333248013 /nfs/dbraw/zinc/24/80/13/333248013.db2.gz TWVVOCGYMNESSP-INIZCTEOSA-N 0 3 294.439 2.446 20 30 CEEDHN C[C@@H](C#N)CNC[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195223236 333248293 /nfs/dbraw/zinc/24/82/93/333248293.db2.gz DFWRPRDBPPJOQA-SWLSCSKDSA-N 0 3 281.400 2.383 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCCC[C@@H]2C)CC1 ZINC000194409776 333270992 /nfs/dbraw/zinc/27/09/92/333270992.db2.gz USMSWZLVRCFAMF-HOCLYGCPSA-N 0 3 276.424 2.274 20 30 CEEDHN C=CCSCCNC(=O)NCCN1CCCC[C@@H]1C ZINC000194553254 333272662 /nfs/dbraw/zinc/27/26/62/333272662.db2.gz ZAQSVMMAWGWGFW-ZDUSSCGKSA-N 0 3 285.457 2.079 20 30 CEEDHN C=CCOCCCC(=O)Nc1ccccc1CNC ZINC000237114263 333377662 /nfs/dbraw/zinc/37/76/62/333377662.db2.gz WKIVEEDVHFGYLO-UHFFFAOYSA-N 0 3 262.353 2.327 20 30 CEEDHN N#CC(C(=O)c1ccnn1C1CCCC1)c1ccncn1 ZINC000546859584 334051928 /nfs/dbraw/zinc/05/19/28/334051928.db2.gz MCVWYBMQTIVEOG-GFCCVEGCSA-N 0 3 281.319 2.278 20 30 CEEDHN N#CC(C(=O)c1ccnc(OC2CCC2)c1)c1ccncn1 ZINC000546859308 334052008 /nfs/dbraw/zinc/05/20/08/334052008.db2.gz CFIGJKXANUPHBO-ZDUSSCGKSA-N 0 3 294.314 2.293 20 30 CEEDHN C=C(C)COCCNCc1ccccc1N1CCOCC1 ZINC000134503754 334092626 /nfs/dbraw/zinc/09/26/26/334092626.db2.gz PDMUXQOXBRQXNF-UHFFFAOYSA-N 0 3 290.407 2.206 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N(CC)C[C@@H]1CCCN1CC ZINC000547797787 334119589 /nfs/dbraw/zinc/11/95/89/334119589.db2.gz FJOHAXJYWSXKNV-GJZGRUSLSA-N 0 3 282.428 2.300 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N(CC)C[C@@H]1CCCN1CC ZINC000547797786 334119632 /nfs/dbraw/zinc/11/96/32/334119632.db2.gz FJOHAXJYWSXKNV-CABCVRRESA-N 0 3 282.428 2.300 20 30 CEEDHN C=CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000137097417 334170270 /nfs/dbraw/zinc/17/02/70/334170270.db2.gz WRPCIMXBNNLSLU-UHFFFAOYSA-N 0 3 250.386 2.143 20 30 CEEDHN C#CCN(C[C@H](O)COCC)[C@H]1CCc2ccccc21 ZINC000245466648 334195565 /nfs/dbraw/zinc/19/55/65/334195565.db2.gz JKJJBIYSZQHDIS-RDJZCZTQSA-N 0 3 273.376 2.007 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000248968522 334323250 /nfs/dbraw/zinc/32/32/50/334323250.db2.gz SDZSFHBBIKLTMP-HIFRSBDPSA-N 0 3 252.402 2.437 20 30 CEEDHN N#CCC[C@H](C#N)CNCCCc1ccc2c(c1)OCCO2 ZINC000565338309 334553621 /nfs/dbraw/zinc/55/36/21/334553621.db2.gz LVJZTVNMDOWACV-OAHLLOKOSA-N 0 3 299.374 2.424 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cnc3[nH]ccc3c2)CC1 ZINC000576308664 335187762 /nfs/dbraw/zinc/18/77/62/335187762.db2.gz MGGWACADQUJTTE-UHFFFAOYSA-N 0 3 298.390 2.285 20 30 CEEDHN C=CCNC(=O)CN[C@@H](CCC)c1ccc(OC)cc1 ZINC000180032338 335542627 /nfs/dbraw/zinc/54/26/27/335542627.db2.gz PNUZIOSVAOURDJ-HNNXBMFYSA-N 0 3 276.380 2.428 20 30 CEEDHN C[C@@H](CN1CCCC1=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000037782681 500881586 /nfs/dbraw/zinc/88/15/86/500881586.db2.gz CRJKDPZZDXDZIL-STQMWFEESA-N 0 3 271.364 2.220 20 30 CEEDHN COc1ccc(Cl)cc1CNC(=O)C(C)C#N ZINC000347036393 533858935 /nfs/dbraw/zinc/85/89/35/533858935.db2.gz MADCZZMYKZZAIF-MRVPVSSYSA-N 0 3 252.701 2.124 20 30 CEEDHN C[C@H]1OCC[C@H]1NCC(=O)N[C@H]1CCCC[C@H]1C ZINC000330277985 534127069 /nfs/dbraw/zinc/12/70/69/534127069.db2.gz PABKEDXMFQTFIX-FVCCEPFGSA-N 0 3 254.374 2.289 20 30 CEEDHN C[C@@H]1[C@@H](N2CCOCC2)CCN1Cc1ccc(CC#N)cc1 ZINC000351992458 534241444 /nfs/dbraw/zinc/24/14/44/534241444.db2.gz DFTYDDHWPKHFTA-QAPCUYQASA-N 0 3 299.418 2.048 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)NCC(C)(C)CCC#N)CCCN1C ZINC000355077073 534241679 /nfs/dbraw/zinc/24/16/79/534241679.db2.gz HHQOJHKJYSLSTE-OLZOCXBDSA-N 0 3 280.416 2.098 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000347735291 534282494 /nfs/dbraw/zinc/28/24/94/534282494.db2.gz ODYHTGLNJQHISY-RKDXNWHRSA-N 0 3 252.264 2.344 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)CC(=O)c1ccc(F)cc1 ZINC000347508627 534283910 /nfs/dbraw/zinc/28/39/10/534283910.db2.gz HYAPARIRHCYTCX-ZJUUUORDSA-N 0 3 262.284 2.063 20 30 CEEDHN N#CC1CCN(C(=O)CCN2CCc3ccccc3C2)CC1 ZINC000336490105 534583366 /nfs/dbraw/zinc/58/33/66/534583366.db2.gz JMTIRXABZBZPAZ-UHFFFAOYSA-N 0 3 297.402 2.197 20 30 CEEDHN N#CCc1cccc(C(=O)N2CCC[C@H](N3CCCC3)C2)c1 ZINC000334832011 534728114 /nfs/dbraw/zinc/72/81/14/534728114.db2.gz KIWMFYPMNMJRIX-KRWDZBQOSA-N 0 3 297.402 2.453 20 30 CEEDHN C[C@H]1CN(CCOc2cccc(C#N)c2)CCCO1 ZINC000061918381 524599950 /nfs/dbraw/zinc/59/99/50/524599950.db2.gz ZOQPRWMDNFSNLT-ZDUSSCGKSA-N 0 3 260.337 2.048 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)COCC ZINC000354857775 526340722 /nfs/dbraw/zinc/34/07/22/526340722.db2.gz WDIPYMVAIQFJIO-HNNXBMFYSA-N 0 3 279.380 2.081 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CC[C@H](C)C2)CC1 ZINC000353724698 526435006 /nfs/dbraw/zinc/43/50/06/526435006.db2.gz QDRRRSKWAMCNOQ-KBPBESRZSA-N 0 3 279.428 2.372 20 30 CEEDHN C=C(C)CN(C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000334840699 526495109 /nfs/dbraw/zinc/49/51/09/526495109.db2.gz AADYYGWJKMZSEF-UHFFFAOYSA-N 0 3 275.352 2.208 20 30 CEEDHN C=CCNC(=O)CN(CCN1CCCCCC1)C1CCC1 ZINC000347477082 526527769 /nfs/dbraw/zinc/52/77/69/526527769.db2.gz NJMXMAIOUQKVMI-UHFFFAOYSA-N 0 3 293.455 2.019 20 30 CEEDHN C=C(C)CN(CCCCCO)Cc1ccc(CO)o1 ZINC000352791717 526551198 /nfs/dbraw/zinc/55/11/98/526551198.db2.gz JDQQNRYWRSSPAS-UHFFFAOYSA-N 0 3 267.369 2.313 20 30 CEEDHN CC(C)(C)[C@@H]1CCCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000347100681 526652173 /nfs/dbraw/zinc/65/21/73/526652173.db2.gz WNYYKJORLIUCEI-CYBMUJFWSA-N 0 3 277.412 2.307 20 30 CEEDHN C=CCOCCCC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344737769 526740332 /nfs/dbraw/zinc/74/03/32/526740332.db2.gz YPGTWPBDJFAJMR-CQSZACIVSA-N 0 3 282.428 2.206 20 30 CEEDHN CC(C)(C)[S@@](=O)CCNCc1ccc(C#N)cc1 ZINC000116921376 526743958 /nfs/dbraw/zinc/74/39/58/526743958.db2.gz WVRIUXNBUXREPA-GOSISDBHSA-N 0 3 264.394 2.195 20 30 CEEDHN C=C(CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000353637981 526874100 /nfs/dbraw/zinc/87/41/00/526874100.db2.gz MGIOBBWKXFIPIJ-GDBMZVCRSA-N 0 3 287.407 2.482 20 30 CEEDHN C#CCNC(=O)CCN1CC2(CCC2)[C@H]1c1ccccc1 ZINC000296454637 526975437 /nfs/dbraw/zinc/97/54/37/526975437.db2.gz ZISLMMALIHCOAL-QGZVFWFLSA-N 0 3 282.387 2.353 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000354657109 527042542 /nfs/dbraw/zinc/04/25/42/527042542.db2.gz QXBHWGBZBTZMNC-LSDHHAIUSA-N 0 3 297.443 2.141 20 30 CEEDHN C=CCn1cccc1C(=O)N1CCCC12CCN(C)CC2 ZINC000335004521 527378394 /nfs/dbraw/zinc/37/83/94/527378394.db2.gz KEFJDSNVHFIZDM-UHFFFAOYSA-N 0 3 287.407 2.375 20 30 CEEDHN C=CCC[C@@H](NC[C@@H](O)COCC)c1ccco1 ZINC000353519007 527447124 /nfs/dbraw/zinc/44/71/24/527447124.db2.gz LUTSVVBBBRCPOS-CHWSQXEVSA-N 0 3 253.342 2.274 20 30 CEEDHN CCOC(=O)C1(COC)CCN(CCC(C)(C)C#N)CC1 ZINC000347104661 528599541 /nfs/dbraw/zinc/59/95/41/528599541.db2.gz SYFRHGDPVRZYHH-UHFFFAOYSA-N 0 3 296.411 2.218 20 30 CEEDHN CCOc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354468794 528632447 /nfs/dbraw/zinc/63/24/47/528632447.db2.gz PPTUIHANKWAZMV-ZDUSSCGKSA-N 0 3 267.288 2.365 20 30 CEEDHN CCCCOc1ncccc1CNC(=O)C(C)C#N ZINC000347031098 528710004 /nfs/dbraw/zinc/71/00/04/528710004.db2.gz DUJMUUHCYBMKTC-NSHDSACASA-N 0 3 261.325 2.036 20 30 CEEDHN C[C@@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)N(C)C ZINC000726455373 574426514 /nfs/dbraw/zinc/42/65/14/574426514.db2.gz BCIKWAFXWODGQY-VIFPVBQESA-N 0 3 296.827 2.448 20 30 CEEDHN C#Cc1cccc(NC(=S)NCCN(CC)C2CC2)c1 ZINC000726488743 574426904 /nfs/dbraw/zinc/42/69/04/574426904.db2.gz BAHPNNKZEFDERE-UHFFFAOYSA-N 0 3 287.432 2.439 20 30 CEEDHN CCN1CCCN(C(=S)Nc2ccccc2C#N)CC1 ZINC000748592494 574439832 /nfs/dbraw/zinc/43/98/32/574439832.db2.gz LJWQRLIWDODONL-UHFFFAOYSA-N 0 3 288.420 2.283 20 30 CEEDHN C=C(C)COc1cccc(NC(=S)NCCN(C)C)c1 ZINC000727283872 574450006 /nfs/dbraw/zinc/45/00/06/574450006.db2.gz RTIZNQXVSDTEHO-UHFFFAOYSA-N 0 3 293.436 2.490 20 30 CEEDHN C=CCNC(=S)N(CCN(C)C)Cc1cccs1 ZINC000752246000 574476700 /nfs/dbraw/zinc/47/67/00/574476700.db2.gz DSHQYAHLDQNZFR-UHFFFAOYSA-N 0 3 283.466 2.172 20 30 CEEDHN C#Cc1ccc(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)cn1 ZINC000728862038 574472715 /nfs/dbraw/zinc/47/27/15/574472715.db2.gz ZWKKHJUITIZBNU-CQSZACIVSA-N 0 3 299.418 2.303 20 30 CEEDHN N#CC(C(=O)CCCn1cccn1)c1nc2ccccc2[nH]1 ZINC000729886704 574494269 /nfs/dbraw/zinc/49/42/69/574494269.db2.gz JJVLJAVZJLMEBR-LBPRGKRZSA-N 0 3 293.330 2.416 20 30 CEEDHN N#CCCNC(=O)CNC1(c2ccc(F)cc2)CCCC1 ZINC000730932156 574584044 /nfs/dbraw/zinc/58/40/44/574584044.db2.gz DDMRVVNKKMHRQT-UHFFFAOYSA-N 0 3 289.354 2.214 20 30 CEEDHN C[C@H](C#N)Oc1ccc(CNCCOCC2CC2)cc1 ZINC000731040969 574587104 /nfs/dbraw/zinc/58/71/04/574587104.db2.gz IBZMCAGUEVTWSP-CYBMUJFWSA-N 0 3 274.364 2.494 20 30 CEEDHN C=C(CN(C)C)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000764604550 574599985 /nfs/dbraw/zinc/59/99/85/574599985.db2.gz NPUULWBUEMRDDF-KGLIPLIRSA-N 0 3 260.381 2.413 20 30 CEEDHN C#CCNC(=O)CN[C@@H](c1ccccc1)C1CCCC1 ZINC000731845672 574603771 /nfs/dbraw/zinc/60/37/71/574603771.db2.gz GJZBEBNQISODNF-KRWDZBQOSA-N 0 3 270.376 2.257 20 30 CEEDHN C#Cc1cccc(NC(=S)N[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000741502599 574603933 /nfs/dbraw/zinc/60/39/33/574603933.db2.gz HBHPJCTVMWKRQH-SWLSCSKDSA-N 0 3 287.432 2.437 20 30 CEEDHN N#CC(C(=O)C=CC1CCOCC1)C(=O)Nc1ccccc1 ZINC000732707552 574626729 /nfs/dbraw/zinc/62/67/29/574626729.db2.gz ABQLJRHXEYVQNQ-IDTUSYRASA-N 0 3 298.342 2.317 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)C1CCSCC1 ZINC000733052567 574640219 /nfs/dbraw/zinc/64/02/19/574640219.db2.gz BKYVJIUFXOXMOA-ZDUSSCGKSA-N 0 3 288.372 2.477 20 30 CEEDHN C#Cc1cccc(NC(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000741751287 574673096 /nfs/dbraw/zinc/67/30/96/574673096.db2.gz CBDXOKCDTSTHRU-IUODEOHRSA-N 0 3 271.364 2.272 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1=COCC1)C(C)C ZINC000734129319 574702991 /nfs/dbraw/zinc/70/29/91/574702991.db2.gz QANRFJQJUDKYAK-HNNXBMFYSA-N 0 3 278.396 2.105 20 30 CEEDHN CC(C)(C)CC(=NNC(=N)N)c1ccc(F)cc1 ZINC000734295131 574706965 /nfs/dbraw/zinc/70/69/65/574706965.db2.gz ASTULMNDHDUYPJ-UHFFFAOYSA-N 0 3 250.321 2.449 20 30 CEEDHN C=C(C)C[NH+]1CCC(Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735399659 574756621 /nfs/dbraw/zinc/75/66/21/574756621.db2.gz SEEOHKIPYVSDIE-UHFFFAOYSA-N 0 3 298.394 2.319 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CCCOC3)nc21 ZINC000735791620 574766566 /nfs/dbraw/zinc/76/65/66/574766566.db2.gz AGLGXARKJIXPLU-NEPJUHHUSA-N 0 3 283.331 2.474 20 30 CEEDHN C#CCCN1CCC(NC(=O)C=C2CCCCC2)CC1 ZINC000740738082 574967161 /nfs/dbraw/zinc/96/71/61/574967161.db2.gz TVKBOVOFKXMZMC-UHFFFAOYSA-N 0 3 274.408 2.481 20 30 CEEDHN CCCCCCCCN1CCC[C@H](S(=O)(=O)NC)C1 ZINC000740877753 574970680 /nfs/dbraw/zinc/97/06/80/574970680.db2.gz DYCSQULPUYQGHJ-AWEZNQCLSA-N 0 3 290.473 2.361 20 30 CEEDHN C[C@H]1CC(N=Nc2nc(-c3ccncc3)no2)CCN1C ZINC000741463553 574987881 /nfs/dbraw/zinc/98/78/81/574987881.db2.gz GTKXEYISLRXEAM-JTQLQIEISA-N 0 3 286.339 2.014 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@]2(C)c2ccccc2)CC1 ZINC000741640586 574993137 /nfs/dbraw/zinc/99/31/37/574993137.db2.gz BNTROMCCWICZRO-PKOBYXMFSA-N 0 3 296.414 2.178 20 30 CEEDHN C#CCOc1ccc(CNC(C)(C)c2cnn(C)c2)cc1 ZINC000742374256 575018211 /nfs/dbraw/zinc/01/82/11/575018211.db2.gz SYCFAQVIEIVLJA-UHFFFAOYSA-N 0 3 283.375 2.457 20 30 CEEDHN CCON=C(C)c1cccc(OCCN(C)C)c1 ZINC000743531323 575105892 /nfs/dbraw/zinc/10/58/92/575105892.db2.gz QLVDVSZJKZFKKF-UHFFFAOYSA-N 0 3 250.342 2.388 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CCC[C@](C)(CCC)C1 ZINC000743871958 575111819 /nfs/dbraw/zinc/11/18/19/575111819.db2.gz DECMLMJXUOZMDI-ZFWWWQNUSA-N 0 3 250.386 2.027 20 30 CEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C=CC1CC1 ZINC000744033747 575112464 /nfs/dbraw/zinc/11/24/64/575112464.db2.gz WRMNSNUERHLAQB-BCPZQOPPSA-N 0 3 284.315 2.309 20 30 CEEDHN CC#CCOC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000745022706 575130840 /nfs/dbraw/zinc/13/08/40/575130840.db2.gz PRJYUWDLBOOYHB-INIZCTEOSA-N 0 3 271.360 2.465 20 30 CEEDHN CC(C)CN(CCC#N)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000746174406 575150807 /nfs/dbraw/zinc/15/08/07/575150807.db2.gz OAGZHNCUGSTJFY-KBPBESRZSA-N 0 3 265.401 2.257 20 30 CEEDHN C#CCCN1CCC(NC(=O)[C@H]2CC23CCCC3)CC1 ZINC000747402318 575170112 /nfs/dbraw/zinc/17/01/12/575170112.db2.gz KHNKAMOALKUHRV-OAHLLOKOSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCCN1CCC(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000747403937 575170212 /nfs/dbraw/zinc/17/02/12/575170212.db2.gz BSHWDATZGNPLBH-ZSHCYNCHSA-N 0 3 274.408 2.027 20 30 CEEDHN COc1ccc(CNCCNc2ccccn2)cc1C#N ZINC000747811447 575175297 /nfs/dbraw/zinc/17/52/97/575175297.db2.gz FQLWKBWIUKIYAT-UHFFFAOYSA-N 0 3 282.347 2.164 20 30 CEEDHN C=C(C)[C@H](CO)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000752858181 575315769 /nfs/dbraw/zinc/31/57/69/575315769.db2.gz XWVBAOJRNNUOFZ-KRWDZBQOSA-N 0 3 290.407 2.144 20 30 CEEDHN C#CCCN1CCCN(C(=O)C=C2CCCCC2)CC1 ZINC000980796233 613002437 /nfs/dbraw/zinc/00/24/37/613002437.db2.gz DSRNBYDNXDGTOZ-UHFFFAOYSA-N 0 3 274.408 2.435 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C2CCCCC2)C1 ZINC000964740667 613013258 /nfs/dbraw/zinc/01/32/58/613013258.db2.gz DXTUETKIBIPMSC-ZBFHGGJFSA-N 0 3 276.424 2.417 20 30 CEEDHN C=CC[N@@H+](Cc1ccc(OC)c(-c2nnn[n-]2)c1)C1CC1 ZINC000823909706 608266931 /nfs/dbraw/zinc/26/69/31/608266931.db2.gz OAJFLOKFHVBGAO-UHFFFAOYSA-N 0 3 285.351 2.026 20 30 CEEDHN C=CC[N@H+](Cc1ccc(OC)c(-c2nnn[n-]2)c1)C1CC1 ZINC000823909706 608266934 /nfs/dbraw/zinc/26/69/34/608266934.db2.gz OAJFLOKFHVBGAO-UHFFFAOYSA-N 0 3 285.351 2.026 20 30 CEEDHN C=CC[N@H+](Cc1cc(F)ccc1-c1nnn[n-]1)C(C)C ZINC000819743856 607058152 /nfs/dbraw/zinc/05/81/52/607058152.db2.gz REZAGKPUTQKHOV-UHFFFAOYSA-N 0 3 275.331 2.402 20 30 CEEDHN C=CC[N@@H+](Cc1cc(F)ccc1-c1nnn[n-]1)C(C)C ZINC000819743856 607058154 /nfs/dbraw/zinc/05/81/54/607058154.db2.gz REZAGKPUTQKHOV-UHFFFAOYSA-N 0 3 275.331 2.402 20 30 CEEDHN C=CC[N@H+](Cc1cc(F)ccc1-c1nn[n-]n1)C(C)C ZINC000819743856 607058156 /nfs/dbraw/zinc/05/81/56/607058156.db2.gz REZAGKPUTQKHOV-UHFFFAOYSA-N 0 3 275.331 2.402 20 30 CEEDHN C=CC[N@@H+](Cc1cc(F)ccc1-c1nn[n-]n1)C(C)C ZINC000819743856 607058158 /nfs/dbraw/zinc/05/81/58/607058158.db2.gz REZAGKPUTQKHOV-UHFFFAOYSA-N 0 3 275.331 2.402 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc3c(c2)C=CCC3)C1 ZINC000970239692 612965768 /nfs/dbraw/zinc/96/57/68/612965768.db2.gz NMSUOVJZTGEDHW-QGZVFWFLSA-N 0 3 280.371 2.083 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)C2CCC(F)(F)CC2)C1 ZINC000970487715 612993716 /nfs/dbraw/zinc/99/37/16/612993716.db2.gz DYJYOLDXUBSPQD-GFCCVEGCSA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc(F)cc(F)c2)C1 ZINC000970850159 612994898 /nfs/dbraw/zinc/99/48/98/612994898.db2.gz XMLHMIVMKJPRKX-LLVKDONJSA-N 0 3 292.329 2.038 20 30 CEEDHN C#CCCN1CCCN(C(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC000981783509 613003174 /nfs/dbraw/zinc/00/31/74/613003174.db2.gz JUCIISZWSVKJDR-JKSUJKDBSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCCC23CC3)CC1 ZINC000981441671 613003797 /nfs/dbraw/zinc/00/37/97/613003797.db2.gz BHLOQQVPHZCIAZ-HNNXBMFYSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCCN1CCCN(C(=O)c2c(C)cccc2C)CC1 ZINC000982017601 613005339 /nfs/dbraw/zinc/00/53/39/613005339.db2.gz NYHNCGJDHVCVNC-UHFFFAOYSA-N 0 3 284.403 2.475 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC000968525683 613022637 /nfs/dbraw/zinc/02/26/37/613022637.db2.gz UJWIBQUODUBTGK-BBRMVZONSA-N 0 3 288.435 2.273 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccsc2)C1 ZINC000964834796 613022640 /nfs/dbraw/zinc/02/26/40/613022640.db2.gz HBSYPCPLTZVHLY-ZFWWWQNUSA-N 0 3 290.432 2.141 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2ccccc2C)C1 ZINC000968636109 613023875 /nfs/dbraw/zinc/02/38/75/613023875.db2.gz VSLFGZKUTWAAQP-FUHWJXTLSA-N 0 3 298.430 2.387 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC000968524696 613024220 /nfs/dbraw/zinc/02/42/20/613024220.db2.gz GMCVJEPALAOEJC-QWHCGFSZSA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2c(C)cncc2C)C1 ZINC000967376095 613024639 /nfs/dbraw/zinc/02/46/39/613024639.db2.gz GZWPKGFHSLNTHN-XJKSGUPXSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C)cc2)C(C)(C)C1 ZINC000977537086 613032500 /nfs/dbraw/zinc/03/25/00/613032500.db2.gz YJAVURMAUIBSSR-MRXNPFEDSA-N 0 3 284.403 2.459 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2(C)CC(F)(F)C2)C(C)(C)C1 ZINC000977440639 613036785 /nfs/dbraw/zinc/03/67/85/613036785.db2.gz ARKDWVDGCTWNJR-LBPRGKRZSA-N 0 3 298.377 2.272 20 30 CEEDHN C/C=C(/C)C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000968363023 613111624 /nfs/dbraw/zinc/11/16/24/613111624.db2.gz AUPKVQYYUDDKFJ-CTPBAPBTSA-N 0 3 289.404 2.276 20 30 CEEDHN C#CCN1CCCCC[C@H]1CNC(=O)C1=CCCC1 ZINC000968812525 613148386 /nfs/dbraw/zinc/14/83/86/613148386.db2.gz UNPVPBUXMUWKKO-HNNXBMFYSA-N 0 3 260.381 2.091 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cccc(F)c2)CC1 ZINC000948151571 613163430 /nfs/dbraw/zinc/16/34/30/613163430.db2.gz DARABSMKBFSJGF-MRXNPFEDSA-N 0 3 288.366 2.385 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ncccc2CC)CC1 ZINC000948570351 613164109 /nfs/dbraw/zinc/16/41/09/613164109.db2.gz JZYMHTARIINUJT-MRXNPFEDSA-N 0 3 299.418 2.204 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)C2C=CC=CC=C2)CC1 ZINC000948417174 613177881 /nfs/dbraw/zinc/17/78/81/613177881.db2.gz ZISNGNQIMXVUJH-KRWDZBQOSA-N 0 3 284.403 2.231 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccoc2C)CC1 ZINC000948169780 613179629 /nfs/dbraw/zinc/17/96/29/613179629.db2.gz RRECRFILXFMFDZ-AWEZNQCLSA-N 0 3 274.364 2.148 20 30 CEEDHN C#Cc1ccccc1CC(=O)N1CCN(C[C@H](C)CC)CC1 ZINC000957467282 613204972 /nfs/dbraw/zinc/20/49/72/613204972.db2.gz HEXLNOQDZUKJGF-MRXNPFEDSA-N 0 3 298.430 2.401 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000944656402 613226592 /nfs/dbraw/zinc/22/65/92/613226592.db2.gz UIIICMVHDLLTKW-SJLPKXTDSA-N 0 3 298.430 2.306 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@H](C)C1 ZINC000942121316 613235828 /nfs/dbraw/zinc/23/58/28/613235828.db2.gz BOHSGBDLMFNZFR-IAQYHMDHSA-N 0 3 292.329 2.038 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2(F)CCCCC2)[C@@H](C)C1 ZINC000943986154 613256792 /nfs/dbraw/zinc/25/67/92/613256792.db2.gz CXJMAFKURMGLLC-KBPBESRZSA-N 0 3 280.387 2.119 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2=CCCCCC2)C[C@@H]1C ZINC000947240093 613257366 /nfs/dbraw/zinc/25/73/66/613257366.db2.gz MIZIGZXGZSZWOX-HOCLYGCPSA-N 0 3 274.408 2.479 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2CCCCC2)[C@H](C)C1 ZINC000941755750 613257551 /nfs/dbraw/zinc/25/75/51/613257551.db2.gz MPHRXJARNDYTOY-HIFRSBDPSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C[C@H]1C ZINC000947899079 613266819 /nfs/dbraw/zinc/26/68/19/613266819.db2.gz DUDKQWBQQATYLS-HIFRSBDPSA-N 0 3 299.418 2.109 20 30 CEEDHN C=C(C)CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)no2)C1 ZINC000964999258 613269894 /nfs/dbraw/zinc/26/98/94/613269894.db2.gz MEDDHAYWCJWACE-GXTWGEPZSA-N 0 3 291.395 2.389 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000944889479 613270243 /nfs/dbraw/zinc/27/02/43/613270243.db2.gz DRVFCBMXTYXHAI-KSSFIOAISA-N 0 3 296.414 2.249 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2Cl)[C@H](C)C1 ZINC000944265014 613271628 /nfs/dbraw/zinc/27/16/28/613271628.db2.gz RAILXOJCEBPHHM-DOMZBBRYSA-N 0 3 290.794 2.413 20 30 CEEDHN C#CCN1C[C@]2(C)CN(C(=O)C[C@@H](C)C3CC3)C[C@]2(C)C1 ZINC000982841488 613292647 /nfs/dbraw/zinc/29/26/47/613292647.db2.gz DQGRCQDPPYKWIP-OLMNPRSZSA-N 0 3 288.435 2.226 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC000969892746 613300426 /nfs/dbraw/zinc/30/04/26/613300426.db2.gz ZYMYCMZYZABKLV-GFCCVEGCSA-N 0 3 298.390 2.189 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cnccc2C)C1 ZINC000969435296 613301010 /nfs/dbraw/zinc/30/10/10/613301010.db2.gz JZSXKAMVBRYIRK-CYBMUJFWSA-N 0 3 273.380 2.016 20 30 CEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC000970393297 613302189 /nfs/dbraw/zinc/30/21/89/613302189.db2.gz LLKUWKRYBCFQSX-GZBFAFLISA-N 0 3 264.413 2.435 20 30 CEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1cnsn1 ZINC000968767220 613306781 /nfs/dbraw/zinc/30/67/81/613306781.db2.gz OKTSMMRSMZVWIL-GFCCVEGCSA-N 0 3 294.424 2.089 20 30 CEEDHN C=C(C)CN1CCCN(C(=O)C[C@@H]2C[C@H]2C)CC1 ZINC000981885637 613308200 /nfs/dbraw/zinc/30/82/00/613308200.db2.gz RNTIARWAMQGBPV-KGLIPLIRSA-N 0 3 250.386 2.143 20 30 CEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C2(C)CCOCC2)C1 ZINC000968422889 613333331 /nfs/dbraw/zinc/33/33/31/613333331.db2.gz LBGWVYBZWJJEBE-LSDHHAIUSA-N 0 3 294.439 2.206 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3cccnc3)C2)C1 ZINC000969879486 613393949 /nfs/dbraw/zinc/39/39/49/613393949.db2.gz YKAHYVFDLBXETR-OAHLLOKOSA-N 0 3 285.391 2.128 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000981753912 613430934 /nfs/dbraw/zinc/43/09/34/613430934.db2.gz OMZQKIZNIGGSME-CYBMUJFWSA-N 0 3 270.392 2.481 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1CCCN([C@@H](C)COC)CC1 ZINC000981887431 613501931 /nfs/dbraw/zinc/50/19/31/613501931.db2.gz FDGHBLWCRFOFDJ-GOEBONIOSA-N 0 3 282.428 2.158 20 30 CEEDHN C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000965266102 613517878 /nfs/dbraw/zinc/51/78/78/613517878.db2.gz GIJXZRWPIHUFSV-UKRRQHHQSA-N 0 3 288.391 2.409 20 30 CEEDHN C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000965266102 613517880 /nfs/dbraw/zinc/51/78/80/613517880.db2.gz GIJXZRWPIHUFSV-UKRRQHHQSA-N 0 3 288.391 2.409 20 30 CEEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2scnc2C)C1 ZINC000965352791 613531152 /nfs/dbraw/zinc/53/11/52/613531152.db2.gz XARBRLMJGBVQIE-AAEUAGOBSA-N 0 3 293.436 2.468 20 30 CEEDHN CC#CCN1CCCCC[C@@H]1CNC(=O)C1=CCCC1 ZINC000968808984 613543928 /nfs/dbraw/zinc/54/39/28/613543928.db2.gz CDZQXHJVKFCUDP-MRXNPFEDSA-N 0 3 274.408 2.481 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)C2CC(C)C2)C(C)(C)C1 ZINC000940664994 613577083 /nfs/dbraw/zinc/57/70/83/613577083.db2.gz QCOMYIHPZFSJTR-YMAMQOFZSA-N 0 3 276.424 2.273 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)C2(C3CC3)CCC2)[C@@H](C)C1 ZINC000942532871 613577220 /nfs/dbraw/zinc/57/72/20/613577220.db2.gz RSTSLAJEXRNUJZ-GOEBONIOSA-N 0 3 288.435 2.417 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccsc2)[C@@H](C)C1 ZINC000941776364 613580053 /nfs/dbraw/zinc/58/00/53/613580053.db2.gz KEQOQRNBBZAKAP-DZGCQCFKSA-N 0 3 290.432 2.141 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)c2c[nH]cc2C2CC2)C[C@@H]1C ZINC000947871865 613581855 /nfs/dbraw/zinc/58/18/55/613581855.db2.gz DSCHIZMSWXKHSU-DZGCQCFKSA-N 0 3 299.418 2.498 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(Cl)c[nH]2)C[C@@H]1C ZINC000947052946 613582512 /nfs/dbraw/zinc/58/25/12/613582512.db2.gz RQCLXGKUOPYLTK-WCQYABFASA-N 0 3 293.798 2.274 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(F)s2)C[C@@H]1C ZINC000948087123 613584383 /nfs/dbraw/zinc/58/43/83/613584383.db2.gz XGINMSFGAGSKGT-NWDGAFQWSA-N 0 3 294.395 2.493 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)C2C=CC=CC=C2)C[C@@H]1C ZINC000947353085 613596235 /nfs/dbraw/zinc/59/62/35/613596235.db2.gz QAJRHGCFGQPCJL-RDJZCZTQSA-N 0 3 284.403 2.277 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2c[nH]cc2C2CC2)C[C@H]1C ZINC000947871866 613600525 /nfs/dbraw/zinc/60/05/25/613600525.db2.gz DSCHIZMSWXKHSU-HIFRSBDPSA-N 0 3 299.418 2.498 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2cncc(CC)c2)[C@H](C)C1 ZINC000942495946 613605206 /nfs/dbraw/zinc/60/52/06/613605206.db2.gz IWBNFGILQXIZRL-PBHICJAKSA-N 0 3 299.418 2.108 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2scnc2C)C[C@@H]1C ZINC000947095541 613607686 /nfs/dbraw/zinc/60/76/86/613607686.db2.gz 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/nfs/dbraw/zinc/62/90/72/613629072.db2.gz OKSNRJVHDVUGGH-GJZGRUSLSA-N 0 3 275.396 2.158 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2cccs2)C1 ZINC000970971471 613629849 /nfs/dbraw/zinc/62/98/49/613629849.db2.gz LNQLROZXXZJMPK-LBPRGKRZSA-N 0 3 264.394 2.009 20 30 CEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C)cc3C)[C@@H]2C1 ZINC000979027443 613630924 /nfs/dbraw/zinc/63/09/24/613630924.db2.gz RKKRQVUXDFYWMG-NNZMDNLPSA-N 0 3 296.414 2.234 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC000972376098 613631560 /nfs/dbraw/zinc/63/15/60/613631560.db2.gz XIAMOANVZJDKQL-QLFBSQMISA-N 0 3 264.413 2.387 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cnn(C(C)C)c2C)C1 ZINC000972701005 613639566 /nfs/dbraw/zinc/63/95/66/613639566.db2.gz QXRJTDNVEVCXLH-AWEZNQCLSA-N 0 3 290.411 2.105 20 30 CEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1[nH]c(C)nc1C ZINC000969028559 613684173 /nfs/dbraw/zinc/68/41/73/613684173.db2.gz XKIJFNVIRVRSRX-CQSZACIVSA-N 0 3 290.411 2.187 20 30 CEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cncc(F)c1 ZINC000968797224 613684813 /nfs/dbraw/zinc/68/48/13/613684813.db2.gz UKADOVGSTFWHRF-OAHLLOKOSA-N 0 3 291.370 2.381 20 30 CEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1nc(C)oc1C ZINC000969087487 613685428 /nfs/dbraw/zinc/68/54/28/613685428.db2.gz BTZSXMPZFMWMDP-CQSZACIVSA-N 0 3 291.395 2.452 20 30 CEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000968804237 613685979 /nfs/dbraw/zinc/68/59/79/613685979.db2.gz PBHKYFVLFZNLFE-AWEZNQCLSA-N 0 3 286.379 2.047 20 30 CEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccco1 ZINC000968716311 613686982 /nfs/dbraw/zinc/68/69/82/613686982.db2.gz SAYJGJDZQBKURW-ZDUSSCGKSA-N 0 3 262.353 2.440 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cnccc2C)C(C)(C)C1 ZINC000940647544 613758215 /nfs/dbraw/zinc/75/82/15/613758215.db2.gz QTSGWDKRTWJYTC-OAHLLOKOSA-N 0 3 287.407 2.406 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2coc(C)c2)C[C@H]1C ZINC000947244854 613759808 /nfs/dbraw/zinc/75/98/08/613759808.db2.gz PCLCPHATMDMMHK-BXUZGUMPSA-N 0 3 262.353 2.357 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2ncc(Cl)s2)[C@H](C)C1 ZINC000942487397 613761379 /nfs/dbraw/zinc/76/13/79/613761379.db2.gz UOGCWHQHDNENNI-NXEZZACHSA-N 0 3 299.827 2.423 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2oc(C)nc2C)C[C@@H]1C ZINC000947160758 613762389 /nfs/dbraw/zinc/76/23/89/613762389.db2.gz ASPYUTWHVSGBBG-GXFFZTMASA-N 0 3 277.368 2.060 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2OCC[C@H]2CC)C(C)(C)C1 ZINC000940812595 613784809 /nfs/dbraw/zinc/78/48/09/613784809.db2.gz LFYZJSRCAIEZHJ-ILXRZTDVSA-N 0 3 294.439 2.204 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)[nH]nc2Cl)C[C@@H]1C ZINC000947371226 613785783 /nfs/dbraw/zinc/78/57/83/613785783.db2.gz XVVWQEMPQMVAEV-ONGXEEELSA-N 0 3 296.802 2.140 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)nc2)[C@H](C)C1 ZINC000941814954 613790020 /nfs/dbraw/zinc/79/00/20/613790020.db2.gz HLBQPIUKNVRNRA-DOMZBBRYSA-N 0 3 273.380 2.016 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3n[nH]cc3c2)C[C@H]1C ZINC000947653311 613791338 /nfs/dbraw/zinc/79/13/38/613791338.db2.gz LQTGVISEAGQMIP-DOMZBBRYSA-N 0 3 298.390 2.332 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3[nH]ccc3n2)C[C@@H]1C ZINC000947539459 613791686 /nfs/dbraw/zinc/79/16/86/613791686.db2.gz AMWNQLOKHQAFQA-STQMWFEESA-N 0 3 298.390 2.332 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3n[nH]cc32)C[C@H]1C ZINC000947602892 613792167 /nfs/dbraw/zinc/79/21/67/613792167.db2.gz ONNVIRDPYZALTM-OLZOCXBDSA-N 0 3 298.390 2.332 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccsc2)[C@@H](C)C1 ZINC000941761606 613793959 /nfs/dbraw/zinc/79/39/59/613793959.db2.gz WSJRYCKHTNCLTQ-AAEUAGOBSA-N 0 3 264.394 2.374 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccoc2)C(C)(C)C1 ZINC000940573892 613793988 /nfs/dbraw/zinc/79/39/88/613793988.db2.gz JBTRQZMQKICRNL-ZDUSSCGKSA-N 0 3 262.353 2.296 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cnoc2C(C)C)[C@H](C)C1 ZINC000943964896 613798068 /nfs/dbraw/zinc/79/80/68/613798068.db2.gz IQEDIUDKNDZVHV-OCCSQVGLSA-N 0 3 291.395 2.424 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2scnc2Cl)[C@@H](C)C1 ZINC000944963676 613801724 /nfs/dbraw/zinc/80/17/24/613801724.db2.gz CGLUSVKGVBZRQC-UWVGGRQHSA-N 0 3 299.827 2.423 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c(C)cccc1C ZINC000960135460 613838369 /nfs/dbraw/zinc/83/83/69/613838369.db2.gz XHZXBULTSCOBGC-VQFNDLOPSA-N 0 3 284.403 2.078 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(Cl)ccc1F ZINC000960919778 613841141 /nfs/dbraw/zinc/84/11/41/613841141.db2.gz ZYORWAANOJOAKE-IMRBUKKESA-N 0 3 294.757 2.325 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2cnccc2c1 ZINC000962239601 613842352 /nfs/dbraw/zinc/84/23/52/613842352.db2.gz PEIWRPZZWVPENR-FVQHAEBGSA-N 0 3 293.370 2.081 20 30 CEEDHN CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC000962356769 613898629 /nfs/dbraw/zinc/89/86/29/613898629.db2.gz NGUYXKQMORQAQP-ZSHCYNCHSA-N 0 3 297.402 2.151 20 30 CEEDHN CCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000946936876 614436530 /nfs/dbraw/zinc/43/65/30/614436530.db2.gz MYAUIFBJXNRJDA-CJNGLKHVSA-N 0 3 285.391 2.437 20 30 CEEDHN CCC(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000946936614 614901827 /nfs/dbraw/zinc/90/18/27/614901827.db2.gz JPYSDTQDXBPSJR-XJKSGUPXSA-N 0 3 285.391 2.437 20 30 CEEDHN CC[C@H](C)C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000967257324 615636696 /nfs/dbraw/zinc/63/66/96/615636696.db2.gz PCHBGGHVWCROEY-NWDGAFQWSA-N 0 3 291.420 2.356 20 30 CEEDHN N#Cc1cc(N[C@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000892419565 625301040 /nfs/dbraw/zinc/30/10/40/625301040.db2.gz GKOPZCBUWNUSDD-JTQLQIEISA-N 0 3 292.364 2.424 20 30 CEEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1cncs1 ZINC001024351335 625528290 /nfs/dbraw/zinc/52/82/90/625528290.db2.gz VFRQCDZCQBXERF-LBPRGKRZSA-N 0 3 279.409 2.304 20 30 CEEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1ocnc1C ZINC001024377971 625540511 /nfs/dbraw/zinc/54/05/11/625540511.db2.gz FLAGAXFBSOHKFS-ZDUSSCGKSA-N 0 3 277.368 2.143 20 30 CEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc[nH]c1 ZINC001024453558 625560260 /nfs/dbraw/zinc/56/02/60/625560260.db2.gz KWWKWTLYUCKMEK-AWEZNQCLSA-N 0 3 261.369 2.175 20 30 CEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001024474814 625573980 /nfs/dbraw/zinc/57/39/80/625573980.db2.gz YCTRIWHDOSMHMO-UONOGXRCSA-N 0 3 298.377 2.416 20 30 CEEDHN C#CC[C@@H](CCOC)NCc1cc(F)ccc1F ZINC000858333308 622558050 /nfs/dbraw/zinc/55/80/50/622558050.db2.gz BTKOFXOUCFPCTN-ZDUSSCGKSA-N 0 3 253.292 2.483 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001020487964 622644920 /nfs/dbraw/zinc/64/49/20/622644920.db2.gz YDWKZMDLZNAWRK-HAQNSBGRSA-N 0 3 270.804 2.412 20 30 CEEDHN C#C[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC000890649614 622749389 /nfs/dbraw/zinc/74/93/89/622749389.db2.gz GPNPNBOXOBDQGE-MRXNPFEDSA-N 0 3 270.376 2.376 20 30 CEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(CC)o1 ZINC001024511994 625592434 /nfs/dbraw/zinc/59/24/34/625592434.db2.gz PIAORJDGHKXUBB-AWEZNQCLSA-N 0 3 288.391 2.450 20 30 CEEDHN C#C[C@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000890655091 622755817 /nfs/dbraw/zinc/75/58/17/622755817.db2.gz JKGHCWHEDWXZIR-BBRMVZONSA-N 0 3 280.387 2.213 20 30 CEEDHN C=CCCON=Cc1ccc(N2CCOCC2)cc1 ZINC000255117950 623106638 /nfs/dbraw/zinc/10/66/38/623106638.db2.gz IUDQCXKCTYWTHO-UHFFFAOYSA-N 0 3 260.337 2.450 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC(C)C)C1 ZINC001021504475 623236437 /nfs/dbraw/zinc/23/64/37/623236437.db2.gz CIJDQDWCAYTYBS-JKSUJKDBSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2)C1 ZINC001021505871 623238429 /nfs/dbraw/zinc/23/84/29/623238429.db2.gz PCZDDVQAFGFPQN-SJORKVTESA-N 0 3 282.387 2.246 20 30 CEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2occc2C)C1 ZINC001021525867 623251252 /nfs/dbraw/zinc/25/12/52/623251252.db2.gz HYHJFURTWJXKSV-GJZGRUSLSA-N 0 3 286.375 2.148 20 30 CEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2coc(C)c2)C1 ZINC001021568074 623299355 /nfs/dbraw/zinc/29/93/55/623299355.db2.gz FOZAMUYDXVYRJE-ZBFHGGJFSA-N 0 3 286.375 2.148 20 30 CEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C2CC(C)(C)C2)C1 ZINC001021578412 623311887 /nfs/dbraw/zinc/31/18/87/623311887.db2.gz OJMSQNLHBXHQCC-HOCLYGCPSA-N 0 3 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CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ncccc2C)C1 ZINC001025385886 627668636 /nfs/dbraw/zinc/66/86/36/627668636.db2.gz UWZFRHMJEJIWAZ-HZPDHXFCSA-N 0 3 299.418 2.244 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2coc(C)c2)C1 ZINC001025393899 627672787 /nfs/dbraw/zinc/67/27/87/627672787.db2.gz INSKXQHBNLBFCT-KGLIPLIRSA-N 0 3 274.364 2.052 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892798561 627779684 /nfs/dbraw/zinc/77/96/84/627779684.db2.gz GADFPDVTDPNYGL-IAGOWNOFSA-N 0 3 299.418 2.451 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH]cc2C)C1 ZINC001025626304 627818680 /nfs/dbraw/zinc/81/86/80/627818680.db2.gz YIKVZQOXIBJOJZ-HUUCEWRRSA-N 0 3 287.407 2.177 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC001025954863 627979516 /nfs/dbraw/zinc/97/95/16/627979516.db2.gz HZDDSPAKOWWESZ-OJKRMQCYSA-N 0 3 262.397 2.045 20 30 CEEDHN C#CCCCN1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000776036129 628356042 /nfs/dbraw/zinc/35/60/42/628356042.db2.gz 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/nfs/dbraw/zinc/34/74/37/629347437.db2.gz BLZQWWBWZTWTNC-UHFFFAOYSA-N 0 3 293.374 2.066 20 30 CEEDHN Cc1nc(N2CCN(C)[C@@H](C(C)(C)C)C2)ccc1C#N ZINC000895101422 629898140 /nfs/dbraw/zinc/89/81/40/629898140.db2.gz KQGOJNLBXMFXMP-CQSZACIVSA-N 0 3 272.396 2.428 20 30 CEEDHN O=C1[C@H]([NH2+]C2CCC3(CCCC3)CC2)CCCN1[O-] ZINC000895158419 629974922 /nfs/dbraw/zinc/97/49/22/629974922.db2.gz IBHHNDOXOUMUGW-CYBMUJFWSA-N 0 3 266.385 2.459 20 30 CEEDHN C=C(C)C[C@H](CO)Nc1ccnc2ccc(OC)cc21 ZINC000895172734 629999225 /nfs/dbraw/zinc/99/92/25/629999225.db2.gz QWNXFEIFJYIFAL-GFCCVEGCSA-N 0 3 272.348 2.404 20 30 CEEDHN C#CCCN(CCOC)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000895471175 630209055 /nfs/dbraw/zinc/20/90/55/630209055.db2.gz KAOYXFNODAYIRT-AWEZNQCLSA-N 0 3 273.376 2.482 20 30 CEEDHN C[C@@H](NC[C@H](O)c1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000902735123 634801405 /nfs/dbraw/zinc/80/14/05/634801405.db2.gz ZXPIFHMAGJSDRU-BZNIZROVSA-N 0 3 285.322 2.477 20 30 CEEDHN C#CC[C@@H](COC)NCc1ccc(CC(C)C)nc1 ZINC000895671962 630300704 /nfs/dbraw/zinc/30/07/04/630300704.db2.gz NINXFQXBVKFEGV-INIZCTEOSA-N 0 3 260.381 2.408 20 30 CEEDHN C[C@H](CNC(=O)c1[nH]c2ccccc2c1C#N)N1CCCC1 ZINC000895684539 630306431 /nfs/dbraw/zinc/30/64/31/630306431.db2.gz DRPQPEGCRNVIMU-GFCCVEGCSA-N 0 3 296.374 2.254 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cc(OC)c(O)cc1Cl ZINC000895713894 630311910 /nfs/dbraw/zinc/31/19/10/630311910.db2.gz VRTAKNXTQXPRJY-LLVKDONJSA-N 0 3 285.771 2.471 20 30 CEEDHN C#CCCCOc1cccnc1N[C@H]1CCN(C)[C@H]1C ZINC000895737289 630326239 /nfs/dbraw/zinc/32/62/39/630326239.db2.gz PIGPMWFILQXYPM-KBPBESRZSA-N 0 3 273.380 2.378 20 30 CEEDHN C[C@@H]1[C@H](Nc2cc(Br)cnc2C#N)CCN1C ZINC000895736309 630326310 /nfs/dbraw/zinc/32/63/10/630326310.db2.gz KHHLKWHJKMWUOI-PSASIEDQSA-N 0 3 295.184 2.220 20 30 CEEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1nccn1C1CC1)C2 ZINC000895861220 630372972 /nfs/dbraw/zinc/37/29/72/630372972.db2.gz NLEFCRPXBZZSGV-HNNXBMFYSA-N 0 3 278.359 2.347 20 30 CEEDHN C#Cc1ccc(CN2CC[C@H](c3noc(C)n3)C2)cc1 ZINC000896233874 630505029 /nfs/dbraw/zinc/50/50/29/630505029.db2.gz YKQQUXYCDRLDHP-HNNXBMFYSA-N 0 3 267.332 2.349 20 30 CEEDHN CO[C@]12CCC[C@@]1(NCc1ccc(C#N)c(F)c1)CCO2 ZINC000896412032 630557246 /nfs/dbraw/zinc/55/72/46/630557246.db2.gz LCECFUBRSGCPNA-CVEARBPZSA-N 0 3 290.338 2.473 20 30 CEEDHN C=CCCCN(CC)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000896618119 630613701 /nfs/dbraw/zinc/61/37/01/630613701.db2.gz MMJSKKMXKZOMBZ-CHWSQXEVSA-N 0 3 253.390 2.077 20 30 CEEDHN C#Cc1ccc(C(=O)N(CCN(C)C)Cc2ccco2)cc1 ZINC000896948257 630836185 /nfs/dbraw/zinc/83/61/85/630836185.db2.gz GOFKEDVSOXJZCG-UHFFFAOYSA-N 0 3 296.370 2.465 20 30 CEEDHN C#Cc1ccc(C(=O)N(CCN(C)C)CC(C)C)cc1 ZINC000897056798 630907916 /nfs/dbraw/zinc/90/79/16/630907916.db2.gz NOHSGALGCAMXJL-UHFFFAOYSA-N 0 3 272.392 2.328 20 30 CEEDHN C#C[C@H](NC(=O)CN(C)CCCCCC)C(C)C ZINC000799042336 630964707 /nfs/dbraw/zinc/96/47/07/630964707.db2.gz XGCJRGZDQACTCV-AWEZNQCLSA-N 0 3 252.402 2.273 20 30 CEEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)c1ccc(F)cn1 ZINC000799294487 631003147 /nfs/dbraw/zinc/00/31/47/631003147.db2.gz YJQLDQJTNPHBJJ-MRXNPFEDSA-N 0 3 285.322 2.258 20 30 CEEDHN COc1ccc(CN(C)CCO[C@H](C)C#N)cc1F ZINC000801910681 631349248 /nfs/dbraw/zinc/34/92/48/631349248.db2.gz PKRKENQDVNMNMH-LLVKDONJSA-N 0 3 266.316 2.195 20 30 CEEDHN CC(C)COC1CCN(CCO[C@H](C)C#N)CC1 ZINC000801912749 631352071 /nfs/dbraw/zinc/35/20/71/631352071.db2.gz BPGIMOUUCLGUBZ-CYBMUJFWSA-N 0 3 254.374 2.052 20 30 CEEDHN CCC(=O)N1C[C@H](NCc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000987651114 631438706 /nfs/dbraw/zinc/43/87/06/631438706.db2.gz CSPIRBHKXSBYEQ-SMDDNHRTSA-N 0 3 289.354 2.186 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)CN(C)CCC ZINC000804456730 631687030 /nfs/dbraw/zinc/68/70/30/631687030.db2.gz HEWOVLOTWLKHNM-MRXNPFEDSA-N 0 3 272.392 2.079 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(F)ccc2CC)C1 ZINC000989096152 631723244 /nfs/dbraw/zinc/72/32/44/631723244.db2.gz VXBWHIZMCLQPGJ-WFASDCNBSA-N 0 3 288.366 2.214 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CCc2cccc(C)c2)C1 ZINC000989234476 631753523 /nfs/dbraw/zinc/75/35/23/631753523.db2.gz FLDDRNLNEKSKIV-RDJZCZTQSA-N 0 3 284.403 2.140 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cncc3sccc32)C1 ZINC000989344654 631785191 /nfs/dbraw/zinc/78/51/91/631785191.db2.gz QYJPEECNOXKZTH-NEPJUHHUSA-N 0 3 299.399 2.122 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2cccc(Cl)c2)C1 ZINC000989408557 631817570 /nfs/dbraw/zinc/81/75/70/631817570.db2.gz QHPZSPYCCWPSGH-DOMZBBRYSA-N 0 3 290.794 2.095 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H](CC)[C@H]1CC1(C)C ZINC000841587844 631834040 /nfs/dbraw/zinc/83/40/40/631834040.db2.gz MBOJKLIERKDPDU-ZIAGYGMSSA-N 0 3 279.428 2.065 20 30 CEEDHN C#CCSCC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000897730094 631905481 /nfs/dbraw/zinc/90/54/81/631905481.db2.gz IPUNPKBCAYOWTR-QWHCGFSZSA-N 0 3 294.420 2.191 20 30 CEEDHN C=CCNC(=O)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808713570 632004080 /nfs/dbraw/zinc/00/40/80/632004080.db2.gz PNEAULJXTBITGH-JTQLQIEISA-N 0 3 282.771 2.307 20 30 CEEDHN Cc1ccc2[nH]c([C@H]3CCCN(C[C@H](O)CC#N)C3)nc2c1 ZINC000809576869 632103616 /nfs/dbraw/zinc/10/36/16/632103616.db2.gz RORKRVOKQRUBTB-UONOGXRCSA-N 0 3 298.390 2.325 20 30 CEEDHN Cc1ccc2nc([C@H]3CCCN(C[C@H](O)CC#N)C3)[nH]c2c1 ZINC000809576869 632103622 /nfs/dbraw/zinc/10/36/22/632103622.db2.gz RORKRVOKQRUBTB-UONOGXRCSA-N 0 3 298.390 2.325 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C)c(F)c2F)C1 ZINC000989468689 632177607 /nfs/dbraw/zinc/17/76/07/632177607.db2.gz FYDNEBKQWYPBHS-NEPJUHHUSA-N 0 3 292.329 2.099 20 30 CEEDHN CO[C@@H]1CCC[C@@H](NCc2nc(C#N)cs2)C1 ZINC000810150701 632187725 /nfs/dbraw/zinc/18/77/25/632187725.db2.gz IRMWAOZCIKJVMD-MWLCHTKSSA-N 0 3 251.355 2.062 20 30 CEEDHN CC1(CN[C@H]2CCc3ccc(C#N)cc32)OCCCO1 ZINC000810239741 632198180 /nfs/dbraw/zinc/19/81/80/632198180.db2.gz YYVHQCXYVAIROJ-HNNXBMFYSA-N 0 3 272.348 2.288 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CCc2cc(C)cc(C)c2)C1 ZINC000989649310 632218184 /nfs/dbraw/zinc/21/81/84/632218184.db2.gz DTAKVFNYOJXTNP-WMZOPIPTSA-N 0 3 298.430 2.448 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)C1(CCF)CC1 ZINC000810528901 632222783 /nfs/dbraw/zinc/22/27/83/632222783.db2.gz YGQUCEDHVDNJJI-LLVKDONJSA-N 0 3 268.332 2.141 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(C)c(F)c(C)c2)C1 ZINC000989813493 632245517 /nfs/dbraw/zinc/24/55/17/632245517.db2.gz TXSWDCOMOPIFCY-ZFWWWQNUSA-N 0 3 288.366 2.268 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)C2CCC(C)(C)CC2)C1 ZINC000989837467 632249121 /nfs/dbraw/zinc/24/91/21/632249121.db2.gz CSTCPULZTPWAKQ-HIFRSBDPSA-N 0 3 276.424 2.415 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)C3CCCC3)CCC[C@@H]12 ZINC000989904116 632273554 /nfs/dbraw/zinc/27/35/54/632273554.db2.gz YHYMDAVHQJJIDX-WBVHZDCISA-N 0 3 274.408 2.313 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)C(C)(C)F)CCC[C@@H]12 ZINC000989901391 632276274 /nfs/dbraw/zinc/27/62/74/632276274.db2.gz YPYNQIVBTLAFTB-BXUZGUMPSA-N 0 3 254.349 2.034 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(C)nc3)CCC[C@H]12 ZINC000989953384 632289545 /nfs/dbraw/zinc/28/95/45/632289545.db2.gz BAEUPWYPDIJCTO-RDJZCZTQSA-N 0 3 285.391 2.303 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3cccc(C)n3)CCC[C@H]12 ZINC000989955520 632289611 /nfs/dbraw/zinc/28/96/11/632289611.db2.gz YHGJCSUWDVHWSE-RDJZCZTQSA-N 0 3 285.391 2.303 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H]3C=CCC3)CCC[C@H]12 ZINC000989943678 632290737 /nfs/dbraw/zinc/29/07/37/632290737.db2.gz ZWHBZOGGFLHIRD-HLLBOEOZSA-N 0 3 272.392 2.089 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3cncc(C)c3)CCC[C@@H]12 ZINC000990119702 632317794 /nfs/dbraw/zinc/31/77/94/632317794.db2.gz DQEGQEIJKUZKNT-WBVHZDCISA-N 0 3 285.391 2.303 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3coc(CC)n3)CCC[C@@H]12 ZINC000990286029 632333602 /nfs/dbraw/zinc/33/36/02/632333602.db2.gz AHZXIPWMYBSUSB-CZUORRHYSA-N 0 3 289.379 2.150 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C3CC(C)(C)C3)CCC[C@@H]12 ZINC000990546369 632380714 /nfs/dbraw/zinc/38/07/14/632380714.db2.gz QZXJSUSWYXQNEQ-RHSMWYFYSA-N 0 3 274.408 2.169 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1 ZINC000899141993 632712875 /nfs/dbraw/zinc/71/28/75/632712875.db2.gz QIGUAJMSFZCKKD-KRWDZBQOSA-N 0 3 282.387 2.415 20 30 CEEDHN Nc1ccc2c(c1)C(=NN[C@H]1CCSC1)CCC2 ZINC000814933634 632934597 /nfs/dbraw/zinc/93/45/97/632934597.db2.gz VCOUPNDHDZLYRB-LBPRGKRZSA-N 0 3 261.394 2.404 20 30 CEEDHN C[C@@H](O)CNN=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000814959846 632941145 /nfs/dbraw/zinc/94/11/45/632941145.db2.gz LPFDHISFHCWXCQ-RZGKJUPZSA-N 0 3 273.380 2.254 20 30 CEEDHN C[C@@H](NCC(C)(C)C[C@H](C)O)c1cc(C#N)ccn1 ZINC000902872550 634865901 /nfs/dbraw/zinc/86/59/01/634865901.db2.gz JIDKVMWFNSRDJJ-NWDGAFQWSA-N 0 3 261.369 2.401 20 30 CEEDHN CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000816950985 633568732 /nfs/dbraw/zinc/56/87/32/633568732.db2.gz FHZCVRAHYITQQQ-KFWWJZLASA-N 0 3 295.427 2.120 20 30 CEEDHN Nc1ccc2c(c1)C(=NN[C@H]1CCCOC1)CCCC2 ZINC000817327327 633628453 /nfs/dbraw/zinc/62/84/53/633628453.db2.gz FVJFXUOGYDEIRA-AWEZNQCLSA-N 0 3 273.380 2.468 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@H]2CCCCO2)C1 ZINC001007074750 633871861 /nfs/dbraw/zinc/87/18/61/633871861.db2.gz XXNMKDABIBGVNJ-LSDHHAIUSA-N 0 3 280.412 2.102 20 30 CEEDHN C[C@H]1CC(NC(=O)c2ccc(NC3=NCCC3)cc2)=NO1 ZINC000901250057 634008131 /nfs/dbraw/zinc/00/81/31/634008131.db2.gz OOJLLAPQFDDZLN-JTQLQIEISA-N 0 3 286.335 2.143 20 30 CEEDHN CCn1nc(C)c(CNC[C@@H](O)c2ccc(C#N)cc2)c1C ZINC000819009416 634038204 /nfs/dbraw/zinc/03/82/04/634038204.db2.gz NSNHOXQUDZFTBB-QGZVFWFLSA-N 0 3 298.390 2.215 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CCC[C@@H]1C1CC1 ZINC000840379191 634136897 /nfs/dbraw/zinc/13/68/97/634136897.db2.gz JBVRQEVQAQUYPP-HZPDHXFCSA-N 0 3 291.439 2.067 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC(=O)C2C[C@H](c3ccccc3)OC2=O)C1 ZINC000819633264 634230838 /nfs/dbraw/zinc/23/08/38/634230838.db2.gz CMBHDESXFIGOMA-PMOUVXMZSA-N 0 3 298.342 2.099 20 30 CEEDHN C[C@@H](NCCO[C@@H](C)C#N)c1cccc([N+](=O)[O-])c1 ZINC000801937812 634881666 /nfs/dbraw/zinc/88/16/66/634881666.db2.gz WMEPKKWYTSNVNL-WDEREUQCSA-N 0 3 263.297 2.174 20 30 CEEDHN Cc1nnc(CCN[C@@H](C)c2cc(C#N)ccn2)s1 ZINC000902993904 634922987 /nfs/dbraw/zinc/92/29/87/634922987.db2.gz YKBLGZJJDIXYNN-VIFPVBQESA-N 0 3 273.365 2.007 20 30 CEEDHN CCCn1cc([C@H](C)N[C@H]2CC[C@@H](CC#N)C2)nn1 ZINC000903006005 634936200 /nfs/dbraw/zinc/93/62/00/634936200.db2.gz CFNVNJMPNKSYTI-AVGNSLFASA-N 0 3 261.373 2.421 20 30 CEEDHN CC[C@@H](NCC1(C#N)CCC1)C1(C(=O)OC)CCC1 ZINC000903031741 634939320 /nfs/dbraw/zinc/93/93/20/634939320.db2.gz DHBXJAOCGARINP-GFCCVEGCSA-N 0 3 264.369 2.392 20 30 CEEDHN CCC[C@H](C)[C@H](CO)N[C@H](C)c1cc(C#N)ccn1 ZINC000903039635 634942577 /nfs/dbraw/zinc/94/25/77/634942577.db2.gz WFUVIFALACPZCX-ZOWXZIJZSA-N 0 3 261.369 2.401 20 30 CEEDHN C[C@H](NC[C@@H]1CCCN1CC(F)F)c1cc(C#N)ccn1 ZINC000903063760 634951779 /nfs/dbraw/zinc/95/17/79/634951779.db2.gz HYHJUKFCARGPOX-AAEUAGOBSA-N 0 3 294.349 2.333 20 30 CEEDHN N#Cc1csc(CN[C@@H]2CCCC[C@H]2CCCO)n1 ZINC000903264036 635036175 /nfs/dbraw/zinc/03/61/75/635036175.db2.gz QPUQRZNDCKAEOS-WCQYABFASA-N 0 3 279.409 2.436 20 30 CEEDHN CCN1CCC[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C1=O ZINC000903388237 635099393 /nfs/dbraw/zinc/09/93/93/635099393.db2.gz MCPARQSBHHAESO-HZPDHXFCSA-N 0 3 283.375 2.146 20 30 CEEDHN C=C(C)COCC[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823878353 635298652 /nfs/dbraw/zinc/29/86/52/635298652.db2.gz WHYNAFPHTDTFSJ-GFCCVEGCSA-N 0 3 287.367 2.110 20 30 CEEDHN C=C(C)COCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823878353 635298657 /nfs/dbraw/zinc/29/86/57/635298657.db2.gz WHYNAFPHTDTFSJ-GFCCVEGCSA-N 0 3 287.367 2.110 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)C#Cc1cccs1 ZINC000824971136 635533103 /nfs/dbraw/zinc/53/31/03/635533103.db2.gz PHQXYCJOMRSGEH-ZDUSSCGKSA-N 0 3 276.405 2.090 20 30 CEEDHN C#CC[C@@H]1CCCN(C(=O)NC2CCN(CC=C)CC2)C1 ZINC000826046128 635751931 /nfs/dbraw/zinc/75/19/31/635751931.db2.gz JEEJWFNCCMYHQL-OAHLLOKOSA-N 0 3 289.423 2.082 20 30 CEEDHN C#CC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000826633635 635797843 /nfs/dbraw/zinc/79/78/43/635797843.db2.gz SZCFBMMRFSNJMZ-INIZCTEOSA-N 0 3 289.423 2.058 20 30 CEEDHN CC1/C(=C\c2c(C3CCC3)cnn2C)C(=O)c2ncnn21 ZINC000905086718 635800615 /nfs/dbraw/zinc/80/06/15/635800615.db2.gz UBUSHWBFMJTQFL-VKRGWIQLSA-N 0 3 283.335 2.120 20 30 CEEDHN CC(C)(C)NCc1cn(Cc2ccc(C#N)cc2F)nn1 ZINC000905057430 635804391 /nfs/dbraw/zinc/80/43/91/635804391.db2.gz WJIJFOIOWKWBEW-UHFFFAOYSA-N 0 3 287.342 2.225 20 30 CEEDHN C#Cc1cccc(CNC[C@](O)(CC)C(F)(F)F)c1 ZINC000905281262 636206837 /nfs/dbraw/zinc/20/68/37/636206837.db2.gz RTDCPVOAQKGRHC-CYBMUJFWSA-N 0 3 271.282 2.461 20 30 CEEDHN C#C[C@H](NCc1cn(C(C)C)nc1C)C1CCOCC1 ZINC000827559884 636353504 /nfs/dbraw/zinc/35/35/04/636353504.db2.gz KUUKEDXSWPETOU-INIZCTEOSA-N 0 3 275.396 2.290 20 30 CEEDHN N#Cc1ccc([C@H](N[C@@H]2C[C@@H]3CCCC[C@H]23)C(N)=O)cc1 ZINC000905799380 636466548 /nfs/dbraw/zinc/46/65/48/636466548.db2.gz PEIFIAODCOCRNF-JONQDZQNSA-N 0 3 283.375 2.253 20 30 CEEDHN CC(C)N1CCC[C@@H]1C(=O)Nc1nc2cc(C#N)ccc2[nH]1 ZINC000828261977 636552307 /nfs/dbraw/zinc/55/23/07/636552307.db2.gz WRKPMSMAJJFMLO-CQSZACIVSA-N 0 3 297.362 2.246 20 30 CEEDHN C#C[C@@H](NCCc1c(F)cccc1F)[C@H]1CCCO1 ZINC000828307677 636566211 /nfs/dbraw/zinc/56/62/11/636566211.db2.gz UXXNYMVKKVFZJL-HUUCEWRRSA-N 0 3 265.303 2.278 20 30 CEEDHN Cc1cc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc(C)c1C#N ZINC000906413380 636736235 /nfs/dbraw/zinc/73/62/35/636736235.db2.gz ZCDIEVWAUOLRBJ-CQSZACIVSA-N 0 3 283.375 2.142 20 30 CEEDHN C#C[C@H]1CC[C@H](NC(=O)N(C)[C@H]2CCN(C3CC3)C2)CC1 ZINC000876443268 650280486 /nfs/dbraw/zinc/28/04/86/650280486.db2.gz HOWQYJIKJCQZFC-DZKIICNBSA-N 0 3 289.423 2.057 20 30 CEEDHN N#Cc1sccc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000906615800 636799270 /nfs/dbraw/zinc/79/92/70/636799270.db2.gz ADTHBBYAOIEWRR-GFCCVEGCSA-N 0 3 289.404 2.320 20 30 CEEDHN C#CC[C@H]1CCCN(CC(=O)N(C)Cc2ccccc2)C1 ZINC000829768439 636925193 /nfs/dbraw/zinc/92/51/93/636925193.db2.gz CWYXIZHZZGADOP-INIZCTEOSA-N 0 3 284.403 2.380 20 30 CEEDHN C#CC1CCN(C[C@H](O)c2cc(OC)ccc2OC)CC1 ZINC000830316334 637033700 /nfs/dbraw/zinc/03/37/00/637033700.db2.gz NZPFMSORFFOKEU-INIZCTEOSA-N 0 3 289.375 2.082 20 30 CEEDHN CC(C)C#CC(=O)N1CCN(C2CCCCC2)CC1 ZINC000830412603 637064876 /nfs/dbraw/zinc/06/48/76/637064876.db2.gz SAAVLMKZAWEAQH-UHFFFAOYSA-N 0 3 262.397 2.123 20 30 CEEDHN C[C@H](C#N)OCCN(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000830897548 637195038 /nfs/dbraw/zinc/19/50/38/637195038.db2.gz OOTAFWCORTXDTJ-BXUZGUMPSA-N 0 3 282.771 2.234 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nnc(CCCC)s1 ZINC000876551812 650321889 /nfs/dbraw/zinc/32/18/89/650321889.db2.gz XMUQQYIVFWXMRN-QMMMGPOBSA-N 0 3 288.804 2.289 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccccc1OC ZINC000876557581 650326163 /nfs/dbraw/zinc/32/61/63/650326163.db2.gz ZUBRUBWVVWDFGS-CMPLNLGQSA-N 0 3 282.771 2.342 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000831679311 637408640 /nfs/dbraw/zinc/40/86/40/637408640.db2.gz ULDGWRIJVYAGAX-PMPSAXMXSA-N 0 3 286.375 2.033 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CCSC[C@@H]2C2CC2)cc1 ZINC000831773068 637429271 /nfs/dbraw/zinc/42/92/71/637429271.db2.gz HPCZECATGVLLNJ-HZPDHXFCSA-N 0 3 288.416 2.419 20 30 CEEDHN N#CC1(NC(=O)CN2CCCCCCCC2)CCC1 ZINC000831937058 637465471 /nfs/dbraw/zinc/46/54/71/637465471.db2.gz KVMSVGROELGPGZ-UHFFFAOYSA-N 0 3 263.385 2.205 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC)c(F)c1 ZINC000876575943 650340181 /nfs/dbraw/zinc/34/01/81/650340181.db2.gz ZBLANFMTBARVAX-JTQLQIEISA-N 0 3 272.707 2.243 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1COCC ZINC000876589921 650348127 /nfs/dbraw/zinc/34/81/27/650348127.db2.gz QTEAICATEDIGSI-CQSZACIVSA-N 0 3 296.798 2.309 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(NC(C)=O)ccc1C ZINC000876598109 650352558 /nfs/dbraw/zinc/35/25/58/650352558.db2.gz KIDVONNITOHRKH-LBPRGKRZSA-N 0 3 295.770 2.362 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000876616441 650360734 /nfs/dbraw/zinc/36/07/34/650360734.db2.gz NBOXMMACVGOFRJ-OESUJAFSSA-N 0 3 282.815 2.493 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C)c(OC)c1 ZINC000876615632 650360804 /nfs/dbraw/zinc/36/08/04/650360804.db2.gz JPLQDOQPKMJNOY-GFCCVEGCSA-N 0 3 282.771 2.090 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C)(CC)CC1 ZINC000876638154 650369895 /nfs/dbraw/zinc/36/98/95/650369895.db2.gz DHWIZLMYJDEVNM-NSHDSACASA-N 0 3 258.793 2.495 20 30 CEEDHN CCN1CCCN(C(=O)c2ccccc2CC#N)[C@H](C)C1 ZINC000910267728 637963165 /nfs/dbraw/zinc/96/31/65/637963165.db2.gz UGXFKVLKUIACGZ-CQSZACIVSA-N 0 3 285.391 2.309 20 30 CEEDHN CCN1CCCN(C(=O)c2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000910281450 637974349 /nfs/dbraw/zinc/97/43/49/637974349.db2.gz YUCWKFDXJUWJMI-GFCCVEGCSA-N 0 3 289.354 2.254 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)CCSCC ZINC000876669281 650390865 /nfs/dbraw/zinc/39/08/65/650390865.db2.gz HJCJDWPSDMSGEP-UWVGGRQHSA-N 0 3 264.822 2.104 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)CCSC ZINC000876673675 650393300 /nfs/dbraw/zinc/39/33/00/650393300.db2.gz POUIGDSPHXFVEE-NXEZZACHSA-N 0 3 264.822 2.056 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)Oc1cccc(C)c1 ZINC000876682574 650397273 /nfs/dbraw/zinc/39/72/73/650397273.db2.gz KAIBKMMVPKAEIG-GXTWGEPZSA-N 0 3 296.798 2.348 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC(C)(C)CC1 ZINC000876683643 650397924 /nfs/dbraw/zinc/39/79/24/650397924.db2.gz XMAOICREKOBWDU-NSHDSACASA-N 0 3 258.793 2.495 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C)cc1OCC ZINC000876692413 650402522 /nfs/dbraw/zinc/40/25/22/650402522.db2.gz SBGZPSUSOWNCTH-ZDUSSCGKSA-N 0 3 296.798 2.480 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)CCSCC ZINC000876698289 650404748 /nfs/dbraw/zinc/40/47/48/650404748.db2.gz HGUDLJGJXXHISK-MNOVXSKESA-N 0 3 278.849 2.446 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000911202036 638258242 /nfs/dbraw/zinc/25/82/42/638258242.db2.gz TZYRMZFFWYWDAV-NDTCATRNSA-N 0 3 289.423 2.259 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N(C)C)cc1 ZINC000876706809 650407208 /nfs/dbraw/zinc/40/72/08/650407208.db2.gz HLVMPNLXOVTZGS-GFCCVEGCSA-N 0 3 267.760 2.161 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1csc(CC)n1 ZINC000876764662 650424706 /nfs/dbraw/zinc/42/47/06/650424706.db2.gz PPIXSWRMSUSZSP-RKDXNWHRSA-N 0 3 287.816 2.353 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OC)cc1OC ZINC000911951385 638485037 /nfs/dbraw/zinc/48/50/37/638485037.db2.gz KPLQGYDLSMMDAK-GFCCVEGCSA-N 0 3 278.352 2.326 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NC[C@H]1COc2ccccc2C1 ZINC000912116523 638558601 /nfs/dbraw/zinc/55/86/01/638558601.db2.gz MBWHVEUDNRUUGE-ZFWWWQNUSA-N 0 3 288.391 2.038 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCCc1cccc(F)c1 ZINC000912116202 638559083 /nfs/dbraw/zinc/55/90/83/638559083.db2.gz SJPGDRJDSJOGNH-CQSZACIVSA-N 0 3 264.344 2.168 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCCc2cc(N)ccc21 ZINC000876810826 650441550 /nfs/dbraw/zinc/44/15/50/650441550.db2.gz ZNFSAORUQAFLTK-ZIAGYGMSSA-N 0 3 293.798 2.232 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCCc1ccc(C=C)cc1 ZINC000836468121 638642101 /nfs/dbraw/zinc/64/21/01/638642101.db2.gz ZLMRMTPDOUNEBJ-UHFFFAOYSA-N 0 3 299.418 2.126 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000836489443 638648910 /nfs/dbraw/zinc/64/89/10/638648910.db2.gz ZQQHCDBLRXDQCP-BZUAXINKSA-N 0 3 291.439 2.210 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000912439941 638686878 /nfs/dbraw/zinc/68/68/78/638686878.db2.gz ZAUQYTLUURVOIZ-MRXNPFEDSA-N 0 3 298.390 2.172 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OCCOC)cc1 ZINC000912417283 638687603 /nfs/dbraw/zinc/68/76/03/638687603.db2.gz AOIYYQBUDJJZHB-HNNXBMFYSA-N 0 3 292.379 2.334 20 30 CEEDHN CCOC(=O)[C@@H](CCCC(C)C)NC(=O)C(C#N)CC ZINC000924847853 638761481 /nfs/dbraw/zinc/76/14/81/638761481.db2.gz FPZBPBJZNBVCCR-CHWSQXEVSA-N 0 3 282.384 2.410 20 30 CEEDHN C=CCO[N-]C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000837044343 639028154 /nfs/dbraw/zinc/02/81/54/639028154.db2.gz LNWBCTDCLLIBED-HNNXBMFYSA-N 0 3 274.364 2.132 20 30 CEEDHN C=CCO[N-]C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000837044343 639028162 /nfs/dbraw/zinc/02/81/62/639028162.db2.gz LNWBCTDCLLIBED-HNNXBMFYSA-N 0 3 274.364 2.132 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCc2cccc(O)c21 ZINC000876875694 650468804 /nfs/dbraw/zinc/46/88/04/650468804.db2.gz XJRNTZQPFKPCDE-NSHDSACASA-N 0 3 280.755 2.141 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000876887008 650474118 /nfs/dbraw/zinc/47/41/18/650474118.db2.gz HHVJEZQYEJVWKF-YNEHKIRRSA-N 0 3 282.746 2.268 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCO[C@H](CC(C)C)C1 ZINC000876895154 650477053 /nfs/dbraw/zinc/47/70/53/650477053.db2.gz ZUCFKEKVHZAPJB-UPJWGTAASA-N 0 3 288.819 2.166 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H](CCOC)C1 ZINC000876907216 650481526 /nfs/dbraw/zinc/48/15/26/650481526.db2.gz CKHFANWBWLPJGZ-CHWSQXEVSA-N 0 3 288.819 2.122 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C#CC1CC1 ZINC000837531261 639269377 /nfs/dbraw/zinc/26/93/77/639269377.db2.gz FKBREKDMTKWNQV-RHSMWYFYSA-N 0 3 282.387 2.037 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ncc(CC)s1 ZINC000876775559 639373334 /nfs/dbraw/zinc/37/33/34/639373334.db2.gz XWKOHELDHWZKOL-SNVBAGLBSA-N 0 3 287.816 2.134 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000876932476 650491540 /nfs/dbraw/zinc/49/15/40/650491540.db2.gz NFCHIKVNMCIUKE-OUCADQQQSA-N 0 3 282.746 2.210 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C1CC1)C1CC1 ZINC000876973699 650513819 /nfs/dbraw/zinc/51/38/19/650513819.db2.gz NNQMHFHBXKHTDG-LLVKDONJSA-N 0 3 256.777 2.151 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc(OC)c1C ZINC000876979186 650516988 /nfs/dbraw/zinc/51/69/88/650516988.db2.gz WMFZHTQHJIIAKI-LBPRGKRZSA-N 0 3 282.771 2.090 20 30 CEEDHN CCCCCCCCN(C)CC(=O)N1CCOCC1 ZINC000172656957 639786322 /nfs/dbraw/zinc/78/63/22/639786322.db2.gz FWDFQJFJHAXTMG-UHFFFAOYSA-N 0 3 270.417 2.138 20 30 CEEDHN C=CCCOCCNC[C@H](O)c1c(F)cccc1F ZINC000231820886 639879532 /nfs/dbraw/zinc/87/95/32/639879532.db2.gz RREZRSUMTMREEF-ZDUSSCGKSA-N 0 3 271.307 2.181 20 30 CEEDHN Cc1ncsc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000173966391 639887025 /nfs/dbraw/zinc/88/70/25/639887025.db2.gz XAUWSPKFBBFSTA-NSHDSACASA-N 0 3 285.328 2.413 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)c3ccn(CC)c3C)CCC[C@H]12 ZINC000992123064 639967401 /nfs/dbraw/zinc/96/74/01/639967401.db2.gz CGQASIKAFLJFJC-WMZOPIPTSA-N 0 3 299.418 2.176 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)CCC[C@@H]12 ZINC000992127419 639968287 /nfs/dbraw/zinc/96/82/87/639968287.db2.gz JDPNQAOCSLGWPA-QYXWGXCQSA-N 0 3 286.419 2.169 20 30 CEEDHN CO[C@H](CC(C)C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000842287579 639997674 /nfs/dbraw/zinc/99/76/74/639997674.db2.gz CPGAFLNMBDJHIM-UONOGXRCSA-N 0 3 288.347 2.395 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ncccc3F)CCC[C@H]12 ZINC000992377978 640036891 /nfs/dbraw/zinc/03/68/91/640036891.db2.gz LZGMPCDOTONINI-BBRMVZONSA-N 0 3 289.354 2.134 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3cccn3CC)CCC[C@H]12 ZINC000992481606 640117294 /nfs/dbraw/zinc/11/72/94/640117294.db2.gz BQEULGDHCLIZPT-WMZOPIPTSA-N 0 3 299.418 2.258 20 30 CEEDHN N#CC(C(=O)[C@@H]1CCC(=O)C1)c1nc2ccccc2[nH]1 ZINC000842676680 640146606 /nfs/dbraw/zinc/14/66/06/640146606.db2.gz GXROIQOBPDONPQ-MWLCHTKSSA-N 0 3 267.288 2.108 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccccn2)[C@H]1C ZINC000992948549 640379394 /nfs/dbraw/zinc/37/93/94/640379394.db2.gz ITANBVKGUDKGDT-KGLIPLIRSA-N 0 3 273.380 2.240 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)C#CC(C)(C)C ZINC000837342560 640604406 /nfs/dbraw/zinc/60/44/06/640604406.db2.gz WBKLYKWUIFHUPJ-ZDUSSCGKSA-N 0 3 250.386 2.027 20 30 CEEDHN N#CCc1cccc(C(=O)OCCN2CCCCC2)c1 ZINC000915806437 640616424 /nfs/dbraw/zinc/61/64/24/640616424.db2.gz CXUMJBULFUYNAK-UHFFFAOYSA-N 0 3 272.348 2.395 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2occc2Cl)C1 ZINC001015666089 640644993 /nfs/dbraw/zinc/64/49/93/640644993.db2.gz OCFAFKNRSGUZAJ-SNVBAGLBSA-N 0 3 268.744 2.313 20 30 CEEDHN C#CCN(C[C@H]1CN(C2CC2)C(=O)O1)C1CCCCC1 ZINC000844279554 640655014 /nfs/dbraw/zinc/65/50/14/640655014.db2.gz CKZXEKMWIKDXCW-HNNXBMFYSA-N 0 3 276.380 2.238 20 30 CEEDHN C[C@@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(C#N)cc1 ZINC000844313490 640672949 /nfs/dbraw/zinc/67/29/49/640672949.db2.gz SHPSGMCUWBWCPM-IAQYHMDHSA-N 0 3 285.347 2.192 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnoc2CC)[C@@H]1C ZINC000993898062 640685775 /nfs/dbraw/zinc/68/57/75/640685775.db2.gz FGLYVRVURUOPOJ-GXTWGEPZSA-N 0 3 291.395 2.396 20 30 CEEDHN CN(CCOC1CCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369850 640693591 /nfs/dbraw/zinc/69/35/91/640693591.db2.gz DLZFUHWLXGZOLW-MRXNPFEDSA-N 0 3 274.364 2.093 20 30 CEEDHN CC(=NNCC(C)C)c1ccc(N2CCOCC2)cc1 ZINC000916366571 640760727 /nfs/dbraw/zinc/76/07/27/640760727.db2.gz WWIGTKYRUVLILW-UHFFFAOYSA-N 0 3 275.396 2.493 20 30 CEEDHN CCOC(=O)C(C)(C)CCCC(C)=Nn1cnnc1 ZINC000844562987 640767606 /nfs/dbraw/zinc/76/76/06/640767606.db2.gz KPJSIDXHMBXORE-UHFFFAOYSA-N 0 3 266.345 2.262 20 30 CEEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccc1)n1ccnc1 ZINC000845441950 640975816 /nfs/dbraw/zinc/97/58/16/640975816.db2.gz IWSHDCMNGSNHQC-GXTWGEPZSA-N 0 3 296.330 2.182 20 30 CEEDHN C=C[C@H](C)ONC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000845618190 641021232 /nfs/dbraw/zinc/02/12/32/641021232.db2.gz VMPPTUYNGKOAAX-GUTXKFCHSA-N 0 3 291.395 2.483 20 30 CEEDHN Cc1cc(C#N)cnc1C(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845729513 641061169 /nfs/dbraw/zinc/06/11/69/641061169.db2.gz POHFMWOSPGIGDV-CYBMUJFWSA-N 0 3 287.363 2.291 20 30 CEEDHN C#CCCN(C)C[C@@H]1CN(CC)c2ccccc2O1 ZINC000920416175 641147338 /nfs/dbraw/zinc/14/73/38/641147338.db2.gz STZQSXTZJIJMRU-CQSZACIVSA-N 0 3 258.365 2.229 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)C#Cc1cccs1 ZINC000846611961 641367647 /nfs/dbraw/zinc/36/76/47/641367647.db2.gz LWMVOXWFLPMKKI-UHFFFAOYSA-N 0 3 276.405 2.044 20 30 CEEDHN C=C(Cl)CN1C[C@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC000847013374 641520590 /nfs/dbraw/zinc/52/05/90/641520590.db2.gz HFUNMHAYQYYBOB-DGCLKSJQSA-N 0 3 257.761 2.404 20 30 CEEDHN O=C(C#Cc1ccccc1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000847256333 641617724 /nfs/dbraw/zinc/61/77/24/641617724.db2.gz PBMZLZKAWQQMFE-SJORKVTESA-N 0 3 282.387 2.171 20 30 CEEDHN CN(C)c1ccc(F)cc1NC(=O)[C@H](N)CCCCC#N ZINC000877386834 650698759 /nfs/dbraw/zinc/69/87/59/650698759.db2.gz XPSBZWPPFDYMLX-GFCCVEGCSA-N 0 3 292.358 2.241 20 30 CEEDHN Cc1cc([C@H]2CCCN2C(=O)[C@H](N)CCCCC#N)no1 ZINC000848396646 641977157 /nfs/dbraw/zinc/97/71/57/641977157.db2.gz SMOIICWMFDRKOJ-TZMCWYRMSA-N 0 3 290.367 2.058 20 30 CEEDHN C=CC[NH2+][C@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC000995501993 641983330 /nfs/dbraw/zinc/98/33/30/641983330.db2.gz PTIKIQUUNLOHCC-AWEZNQCLSA-N 0 3 274.364 2.018 20 30 CEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2oc(CC)nc2C)C1 ZINC001015948386 642097525 /nfs/dbraw/zinc/09/75/25/642097525.db2.gz WEVRVHYOHOCHAH-CYBMUJFWSA-N 0 3 291.395 2.316 20 30 CEEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CCC[C@H]2CCO)c1 ZINC000877442503 650723567 /nfs/dbraw/zinc/72/35/67/650723567.db2.gz LENVSSOMTXEYFI-WCQYABFASA-N 0 3 279.771 2.247 20 30 CEEDHN CO[C@@H](CNCc1ccc(C#N)cn1)Cc1ccccc1 ZINC000877459604 650728990 /nfs/dbraw/zinc/72/89/90/650728990.db2.gz LOLDLEJYPVPALD-QGZVFWFLSA-N 0 3 281.359 2.301 20 30 CEEDHN C#CCCCCCCN1C[C@@H](C)O[C@H](COC)C1 ZINC000877464571 650731901 /nfs/dbraw/zinc/73/19/01/650731901.db2.gz QJSQBGJYOFYUNC-CABCVRRESA-N 0 3 253.386 2.306 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccccc2C)CC1 ZINC000997465871 642262842 /nfs/dbraw/zinc/26/28/42/642262842.db2.gz FHGZZUBTUATOLQ-HNNXBMFYSA-N 0 3 284.403 2.459 20 30 CEEDHN CON=Cc1ccc(C(=O)OCCN2CCCCC2)cc1 ZINC000849185222 642281695 /nfs/dbraw/zinc/28/16/95/642281695.db2.gz BYUKGLIKWDQZOC-UHFFFAOYSA-N 0 3 290.363 2.310 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccncc2CC)CC1 ZINC000997653809 642313326 /nfs/dbraw/zinc/31/33/26/642313326.db2.gz SHEBIAFQLKKOJJ-AWEZNQCLSA-N 0 3 299.418 2.108 20 30 CEEDHN C#C[C@H](C)N(C)Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000877479720 650740341 /nfs/dbraw/zinc/74/03/41/650740341.db2.gz FXZXOPBNQNEVAA-AWEZNQCLSA-N 0 3 283.375 2.394 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000997740683 642320361 /nfs/dbraw/zinc/32/03/61/642320361.db2.gz CJAQGAQEHKRJGP-ZVZYQTTQSA-N 0 3 288.435 2.417 20 30 CEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cccnc2)CC1 ZINC000997894356 642330822 /nfs/dbraw/zinc/33/08/22/642330822.db2.gz MOGQOHYEPQEIRQ-QGZVFWFLSA-N 0 3 299.418 2.422 20 30 CEEDHN C#CCN1CCC[C@H](N(CC)C(=O)C2CC(C)C2)CC1 ZINC000997960848 642348795 /nfs/dbraw/zinc/34/87/95/642348795.db2.gz MQCLVSBHHSJEDB-GPANFISMSA-N 0 3 276.424 2.369 20 30 CEEDHN N#Cc1cnc(Cl)c(CNC2(CCO)CCCC2)c1 ZINC000877515116 650759513 /nfs/dbraw/zinc/75/95/13/650759513.db2.gz UXMSODGAROSBSZ-UHFFFAOYSA-N 0 3 279.771 2.391 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)c3cocc3C)CC2)CC1 ZINC001000229245 642559239 /nfs/dbraw/zinc/55/92/39/642559239.db2.gz CJDNEJKDBLNPCO-UHFFFAOYSA-N 0 3 286.375 2.196 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1 ZINC001000284475 642577700 /nfs/dbraw/zinc/57/77/00/642577700.db2.gz QFHDZHZTUAYPLC-JKSUJKDBSA-N 0 3 286.419 2.027 20 30 CEEDHN C=CCC[N@H+]1CC=C(CNC(=O)c2ccccc2[O-])CC1 ZINC001000460399 642611315 /nfs/dbraw/zinc/61/13/15/642611315.db2.gz VQYRJZGJLGRZEI-UHFFFAOYSA-N 0 3 286.375 2.330 20 30 CEEDHN C=CCC[N@@H+]1CC=C(CNC(=O)c2ccccc2[O-])CC1 ZINC001000460399 642611319 /nfs/dbraw/zinc/61/13/19/642611319.db2.gz VQYRJZGJLGRZEI-UHFFFAOYSA-N 0 3 286.375 2.330 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001000845238 642659906 /nfs/dbraw/zinc/65/99/06/642659906.db2.gz SHDPKDYPSARWFU-UHFFFAOYSA-N 0 3 296.374 2.111 20 30 CEEDHN C=CCN1CC=C(CNC(=O)C2Cc3ccccc3C2)CC1 ZINC001001193404 642696484 /nfs/dbraw/zinc/69/64/84/642696484.db2.gz IYLHULAERSUVNH-UHFFFAOYSA-N 0 3 296.414 2.336 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN1CC(C2CC2)C1 ZINC000877540801 650776733 /nfs/dbraw/zinc/77/67/33/650776733.db2.gz BHCAUVPBBBIWCR-UHFFFAOYSA-N 0 3 255.365 2.466 20 30 CEEDHN C=C[C@H](CO)NCc1ccc2c(c1)CCC(C)(C)O2 ZINC000850410279 642703741 /nfs/dbraw/zinc/70/37/41/642703741.db2.gz KDWZOBKBLKNLPV-CQSZACIVSA-N 0 3 261.365 2.427 20 30 CEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001001315335 642710133 /nfs/dbraw/zinc/71/01/33/642710133.db2.gz QKYPFOGWMXGGMD-LSDHHAIUSA-N 0 3 262.397 2.213 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2[nH]nc3ccccc32)CC1 ZINC001001423163 642720866 /nfs/dbraw/zinc/72/08/66/642720866.db2.gz OKVWMEUUYVWOMZ-UHFFFAOYSA-N 0 3 296.374 2.111 20 30 CEEDHN C#CCN1CCC(CNC(=O)[C@@H]2CCCCC2(F)F)CC1 ZINC001001682901 642732905 /nfs/dbraw/zinc/73/29/05/642732905.db2.gz CZYZYHXEQIKXEN-AWEZNQCLSA-N 0 3 298.377 2.273 20 30 CEEDHN CC#CCN1CCC(CNC(=O)c2ccc(Cl)[nH]2)CC1 ZINC001001800266 642737800 /nfs/dbraw/zinc/73/78/00/642737800.db2.gz LJNKLRGPZKQWLV-UHFFFAOYSA-N 0 3 293.798 2.133 20 30 CEEDHN CC#CCN1CCC(CNC(=O)c2c[nH]cc2C2CC2)CC1 ZINC001001981623 642748618 /nfs/dbraw/zinc/74/86/18/642748618.db2.gz CMDQBPQAGWTVMX-UHFFFAOYSA-N 0 3 299.418 2.357 20 30 CEEDHN COC(=O)[C@H](C)Oc1ccccc1CNCCCC#N ZINC000921985188 642825061 /nfs/dbraw/zinc/82/50/61/642825061.db2.gz PFPPZGMQJBHLKP-LBPRGKRZSA-N 0 3 276.336 2.020 20 30 CEEDHN COC(=O)[C@@H](C)Oc1ccccc1CNCCCC#N ZINC000921985184 642825552 /nfs/dbraw/zinc/82/55/52/642825552.db2.gz PFPPZGMQJBHLKP-GFCCVEGCSA-N 0 3 276.336 2.020 20 30 CEEDHN C[C@H](CCC#N)CN1CCN(c2ccnc(F)c2)CC1 ZINC000877565381 650792482 /nfs/dbraw/zinc/79/24/82/650792482.db2.gz GLGMKYCATNMEHC-CYBMUJFWSA-N 0 3 276.359 2.283 20 30 CEEDHN COC(=O)C1(C#N)CCN(CCC(C)(C)SC)CC1 ZINC000877567600 650793414 /nfs/dbraw/zinc/79/34/14/650793414.db2.gz YUNAPDZCTLUFRQ-UHFFFAOYSA-N 0 3 284.425 2.297 20 30 CEEDHN C=C(C)CNCc1ccccc1O[C@H](C)C(=O)OC ZINC000922115976 642886249 /nfs/dbraw/zinc/88/62/49/642886249.db2.gz XBFAFOSHHOLJOX-GFCCVEGCSA-N 0 3 263.337 2.293 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2CCC[C@H]2C(F)F)CC1 ZINC001003011852 642890843 /nfs/dbraw/zinc/89/08/43/642890843.db2.gz SSRMHQGZEUNVBA-OLZOCXBDSA-N 0 3 286.366 2.434 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@H]2C(F)F)CC1 ZINC001003011849 642891843 /nfs/dbraw/zinc/89/18/43/642891843.db2.gz SSRMHQGZEUNVBA-CHWSQXEVSA-N 0 3 286.366 2.434 20 30 CEEDHN CC[C@H](NCc1cc(C#N)cnc1Cl)[C@H](O)C(C)C ZINC000877591275 650804124 /nfs/dbraw/zinc/80/41/24/650804124.db2.gz RCULWUPFBLMAIU-QWHCGFSZSA-N 0 3 281.787 2.492 20 30 CEEDHN C#CCCCCCCN1C[C@H](CO)OC(C)(C)C1 ZINC000877594950 650806136 /nfs/dbraw/zinc/80/61/36/650806136.db2.gz NLJMANVVNXTJIR-CQSZACIVSA-N 0 3 253.386 2.042 20 30 CEEDHN COC(OC)[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000922314432 643021084 /nfs/dbraw/zinc/02/10/84/643021084.db2.gz YMHXILCQYOVWSV-LBPRGKRZSA-N 0 3 274.364 2.339 20 30 CEEDHN C[C@@H]1C[C@@]2(CC[C@@H](CNCc3csc(C#N)c3)O2)CO1 ZINC000922337279 643036073 /nfs/dbraw/zinc/03/60/73/643036073.db2.gz BRJBSQFSXSYRPC-ZLDLUXBVSA-N 0 3 292.404 2.436 20 30 CEEDHN C=CCCn1cc(CNCC[C@@H]2CC[C@@H]3C[C@@H]32)nn1 ZINC000922432727 643073300 /nfs/dbraw/zinc/07/33/00/643073300.db2.gz SGEWEXGCEZSNHJ-GZBFAFLISA-N 0 3 260.385 2.380 20 30 CEEDHN C#CCOCCN(CC#C)[C@@H]1CCc2ccccc21 ZINC000851736268 643135663 /nfs/dbraw/zinc/13/56/63/643135663.db2.gz OOKBNEUZDQLRFO-QGZVFWFLSA-N 0 3 253.345 2.259 20 30 CEEDHN C=C1CCC(CNCc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000922709417 643217402 /nfs/dbraw/zinc/21/74/02/643217402.db2.gz ADFLPDXDQPWVQQ-MRXNPFEDSA-N 0 3 290.411 2.293 20 30 CEEDHN C[C@@H]1CN(Cc2cc(C#N)ccc2N(C)C)C[C@H](C)[C@H]1O ZINC000877629579 650822169 /nfs/dbraw/zinc/82/21/69/650822169.db2.gz VZOITRZSPDLBJP-LAQFHYBYSA-N 0 3 287.407 2.073 20 30 CEEDHN C=CCOc1ccccc1CNC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922728004 643227069 /nfs/dbraw/zinc/22/70/69/643227069.db2.gz JLPKQMZPIXYZJJ-INMHGKMJSA-N 0 3 289.375 2.145 20 30 CEEDHN C#C[C@H](NCc1cccc(NC(C)=O)c1)C1CCOCC1 ZINC000877636728 650827478 /nfs/dbraw/zinc/82/74/78/650827478.db2.gz BDICZVZJEFOKGF-KRWDZBQOSA-N 0 3 286.375 2.163 20 30 CEEDHN C#C[C@@H](NCc1cc(C(=O)OC)cs1)C1CCOCC1 ZINC000877637060 650827882 /nfs/dbraw/zinc/82/78/82/650827882.db2.gz DVWVJWLYUDCNIM-CQSZACIVSA-N 0 3 293.388 2.053 20 30 CEEDHN C#C[C@@H](NCc1cccc(Cl)c1N)C1CCOCC1 ZINC000877637309 650827920 /nfs/dbraw/zinc/82/79/20/650827920.db2.gz HIAZIYCDKAYFGL-CQSZACIVSA-N 0 3 278.783 2.440 20 30 CEEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000852098229 643300279 /nfs/dbraw/zinc/30/02/79/643300279.db2.gz HUYZWEKTTPSSOR-KDOFPFPSSA-N 0 3 284.403 2.351 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C#CCCN(CCOC)CCOc1ccc(C)cc1 ZINC000852753120 643537608 /nfs/dbraw/zinc/53/76/08/643537608.db2.gz YHQNWUUEAQGOFP-UHFFFAOYSA-N 0 3 261.365 2.346 20 30 CEEDHN N#Cc1ccc(CN2CCCCCCNC(=O)CC2)o1 ZINC000877686420 650850674 /nfs/dbraw/zinc/85/06/74/650850674.db2.gz VOUGKGUAEGLITD-UHFFFAOYSA-N 0 3 275.352 2.034 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC001006016124 643635368 /nfs/dbraw/zinc/63/53/68/643635368.db2.gz KREVOLCMXBNGOJ-UHFFFAOYSA-N 0 3 290.411 2.256 20 30 CEEDHN CCCCCCN(C)CC(=O)N[C@]1(C#N)CCSC1 ZINC000111566210 643898041 /nfs/dbraw/zinc/89/80/41/643898041.db2.gz QCJLCEJVCUFTGH-AWEZNQCLSA-N 0 3 283.441 2.014 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC1[C@H](C)CCC[C@H]1C ZINC000838502101 643960752 /nfs/dbraw/zinc/96/07/52/643960752.db2.gz AQYLFYSNXNWIDB-ZIAGYGMSSA-N 0 3 279.428 2.065 20 30 CEEDHN C#C[C@H](CC)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000854074015 643978830 /nfs/dbraw/zinc/97/88/30/643978830.db2.gz IZPDUNDFAHVTJZ-CQSZACIVSA-N 0 3 277.412 2.058 20 30 CEEDHN C#C[C@@H](CC)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000854077700 643979617 /nfs/dbraw/zinc/97/96/17/643979617.db2.gz ZJXQCBITFHGLML-LSDHHAIUSA-N 0 3 291.370 2.139 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(CC)c1 ZINC000838624363 643980518 /nfs/dbraw/zinc/98/05/18/643980518.db2.gz UBQKCUYCSGYZDT-UHFFFAOYSA-N 0 3 273.380 2.326 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC(C)(CC)CC1 ZINC000838623179 643980793 /nfs/dbraw/zinc/98/07/93/643980793.db2.gz SZFHZBRMGNXJEI-UHFFFAOYSA-N 0 3 279.428 2.163 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000838622731 643981084 /nfs/dbraw/zinc/98/10/84/643981084.db2.gz KHQITDAEOSMIJL-CABCVRRESA-N 0 3 279.428 2.162 20 30 CEEDHN C#C[C@](C)(CC)NC(=O)CN(C)CCCCCC ZINC000854698273 644135405 /nfs/dbraw/zinc/13/54/05/644135405.db2.gz WJRMFQFFOPGXRY-OAHLLOKOSA-N 0 3 252.402 2.417 20 30 CEEDHN C#C[C@@](C)(CC)NC(=O)CN(C)CCCCCC ZINC000854698272 644135581 /nfs/dbraw/zinc/13/55/81/644135581.db2.gz WJRMFQFFOPGXRY-HNNXBMFYSA-N 0 3 252.402 2.417 20 30 CEEDHN CCOC(=O)[C@H](C)C1CN(CC(C)(C)CCC#N)C1 ZINC000877829408 650924756 /nfs/dbraw/zinc/92/47/56/650924756.db2.gz SQQKWITYSMPNCC-GFCCVEGCSA-N 0 3 266.385 2.447 20 30 CEEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1cccc([N+](=O)[O-])c1 ZINC000755872795 644574315 /nfs/dbraw/zinc/57/43/15/644574315.db2.gz VHIWCFCMENDWQD-SNVBAGLBSA-N 0 3 274.324 2.477 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)/C=C/c2ccccc2C#N)CCN1 ZINC000856486172 644683801 /nfs/dbraw/zinc/68/38/01/644683801.db2.gz XBWCQYHXHCCSKF-KXPUMZMLSA-N 0 3 283.375 2.028 20 30 CEEDHN Cc1cc(CN(C)C[C@H](O)c2cccc(C#N)c2)ccn1 ZINC000856753483 644710954 /nfs/dbraw/zinc/71/09/54/644710954.db2.gz SDUQQYXSVMIBKG-KRWDZBQOSA-N 0 3 281.359 2.427 20 30 CEEDHN C#C[C@@H](NCc1cc(C(=O)OC)c2n1CCCC2)C(C)C ZINC000857045751 644798501 /nfs/dbraw/zinc/79/85/01/644798501.db2.gz WFJUIAJKRYGJAS-OAHLLOKOSA-N 0 3 288.391 2.358 20 30 CEEDHN C#CCCCCCN(C)CC(=O)NCc1ccco1 ZINC000877936784 650952684 /nfs/dbraw/zinc/95/26/84/650952684.db2.gz CAALCVFZOLPKHA-UHFFFAOYSA-N 0 3 262.353 2.021 20 30 CEEDHN COc1c(C)cnc(CNC[C@@H](O)CC(C)(C)C#N)c1C ZINC000857234391 644865601 /nfs/dbraw/zinc/86/56/01/644865601.db2.gz JYDAIVJSGYLHGD-ZDUSSCGKSA-N 0 3 291.395 2.097 20 30 CEEDHN C#CCCCC(=O)Nc1cc(CN(C)C)ccc1OC ZINC000758015008 644871552 /nfs/dbraw/zinc/87/15/52/644871552.db2.gz QCCZPGBKEDHEKH-UHFFFAOYSA-N 0 3 274.364 2.499 20 30 CEEDHN C=C/C=C\CCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000877988277 650968089 /nfs/dbraw/zinc/96/80/89/650968089.db2.gz FNTIFLBXJRAYDF-ARJAWSKDSA-N 0 3 268.364 2.208 20 30 CEEDHN C#CC[C@@H](COC)NCc1cc(-c2ccccc2)n[nH]1 ZINC000858334796 645122261 /nfs/dbraw/zinc/12/22/61/645122261.db2.gz GDPTYUKJCDVZLR-AWEZNQCLSA-N 0 3 269.348 2.205 20 30 CEEDHN C#CC[C@H](COC)NCc1cccc(OCCCC#N)c1 ZINC000858336088 645124274 /nfs/dbraw/zinc/12/42/74/645124274.db2.gz VJPGPPJQOIZZCW-MRXNPFEDSA-N 0 3 286.375 2.497 20 30 CEEDHN C#CCCCN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000760479548 645161651 /nfs/dbraw/zinc/16/16/51/645161651.db2.gz PXIRGYJKGHBXPS-ZDUSSCGKSA-N 0 3 254.337 2.331 20 30 CEEDHN C#CCCOC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000858922452 645295864 /nfs/dbraw/zinc/29/58/64/645295864.db2.gz AWMQGBWODHTJBY-UHFFFAOYSA-N 0 3 299.374 2.082 20 30 CEEDHN C[C@H]1CC(N=Nc2ncnc3sccc32)CN1C ZINC000761803447 645318146 /nfs/dbraw/zinc/31/81/46/645318146.db2.gz BBUJLYUMHGGJHF-QMMMGPOBSA-N 0 3 261.354 2.183 20 30 CEEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CC1)c1cccc(F)c1 ZINC000116592757 645395428 /nfs/dbraw/zinc/39/54/28/645395428.db2.gz YJGVZTSWNRKQJQ-HZMBPMFUSA-N 0 3 288.322 2.307 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)N(CCC)CC(F)(F)F ZINC000859319453 645457540 /nfs/dbraw/zinc/45/75/40/645457540.db2.gz OHTXRMUNLJENPF-GFCCVEGCSA-N 0 3 278.318 2.179 20 30 CEEDHN C#CCN(CCOCc1ccc(OC)cc1)C1CC1 ZINC000763955540 645594464 /nfs/dbraw/zinc/59/44/64/645594464.db2.gz CHBDVEGLWXRHRP-UHFFFAOYSA-N 0 3 259.349 2.309 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@H](c1cccc(C)c1)C(C)C ZINC000859849978 645632313 /nfs/dbraw/zinc/63/23/13/645632313.db2.gz REZGZNITDOPYLM-ZBFHGGJFSA-N 0 3 272.392 2.420 20 30 CEEDHN CC#CC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000764472921 645645250 /nfs/dbraw/zinc/64/52/50/645645250.db2.gz QMTIAXHYYUAXRJ-UHFFFAOYSA-N 0 3 284.403 2.177 20 30 CEEDHN N=C(N)NN=C1CCc2cc(Cl)cc(Cl)c21 ZINC000764639517 645668192 /nfs/dbraw/zinc/66/81/92/645668192.db2.gz HUFLIUVTJKFICM-UHFFFAOYSA-N 0 3 257.124 2.127 20 30 CEEDHN CC#CCN1CCC([C@@H](O)c2cccc(OC)c2)CC1 ZINC000860135888 645712434 /nfs/dbraw/zinc/71/24/34/645712434.db2.gz RWCZJGRQSWYEKE-QGZVFWFLSA-N 0 3 273.376 2.464 20 30 CEEDHN Fc1nc(F)c(F)c(N=NC2CCN3CCC[C@H]23)c1F ZINC000765562057 645785504 /nfs/dbraw/zinc/78/55/04/645785504.db2.gz GCJXNFJRBVQVPD-SSDOTTSWSA-N 0 3 288.248 2.274 20 30 CEEDHN Cc1cccc([C@@H]2C[C@H]2C(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000860473570 645800711 /nfs/dbraw/zinc/80/07/11/645800711.db2.gz NJSCUUIZKCXCKX-RRFJBIMHSA-N 0 3 284.359 2.332 20 30 CEEDHN Cc1oc2ccccc2c1CC(=O)C(C#N)C(=O)NC1CC1 ZINC000767959311 646061750 /nfs/dbraw/zinc/06/17/50/646061750.db2.gz KGIPOYIYDDORHR-AWEZNQCLSA-N 0 3 296.326 2.271 20 30 CEEDHN C#CC[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000862575460 646512029 /nfs/dbraw/zinc/51/20/29/646512029.db2.gz WBUOKDSBPFCXTQ-CJNGLKHVSA-N 0 3 280.387 2.071 20 30 CEEDHN C#CCN1CCC(C(=O)NCC[C@H]2CC=CCC2)CC1 ZINC000862948397 646602787 /nfs/dbraw/zinc/60/27/87/646602787.db2.gz KFWWRHHRPFHOPI-HNNXBMFYSA-N 0 3 274.408 2.194 20 30 CEEDHN c1ccc2c(c1)cnnc2N=NC1CN2C[C@@H]1CCC2 ZINC000863069233 646629183 /nfs/dbraw/zinc/62/91/83/646629183.db2.gz YGIBFSWUHJDZBW-LBPRGKRZSA-N 0 3 267.336 2.123 20 30 CEEDHN CC1(OCC(=O)C(C#N)C(=O)Nc2ccccc2)CCC1 ZINC000772971328 646690881 /nfs/dbraw/zinc/69/08/81/646690881.db2.gz LLWBEHHGXAYUTH-ZDUSSCGKSA-N 0 3 286.331 2.293 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000773595978 646761331 /nfs/dbraw/zinc/76/13/31/646761331.db2.gz JMMKLQLWZAWXKD-RHSMWYFYSA-N 0 3 299.418 2.144 20 30 CEEDHN C#C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@@H]1CCCO1 ZINC000775571679 646967694 /nfs/dbraw/zinc/96/76/94/646967694.db2.gz JEEUXKHFKZKXOG-XEGUGMAKSA-N 0 3 263.312 2.363 20 30 CEEDHN C#C[C@H](NCCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCCO1 ZINC000775789953 646992637 /nfs/dbraw/zinc/99/26/37/646992637.db2.gz FOVMYDHLGZYXEV-CAOSSQGBSA-N 0 3 265.397 2.352 20 30 CEEDHN C#C[C@H](NCc1cc(Cl)cc(OC)c1O)[C@H]1CCCO1 ZINC000776002393 647015462 /nfs/dbraw/zinc/01/54/62/647015462.db2.gz SGKALNDYJLJXJK-QWHCGFSZSA-N 0 3 295.766 2.325 20 30 CEEDHN CN(CCNC(=O)c1coc(C#N)c1)Cc1ccccc1 ZINC000864983339 647147029 /nfs/dbraw/zinc/14/70/29/647147029.db2.gz JZPHWEINPFNTID-UHFFFAOYSA-N 0 3 283.331 2.013 20 30 CEEDHN Cc1ccccc1C(=NNC1=NC[C@H](C)N1)C1CC1 ZINC000779792192 647353343 /nfs/dbraw/zinc/35/33/43/647353343.db2.gz PSGFLZPAXSYEIP-NSHDSACASA-N 0 3 256.353 2.046 20 30 CEEDHN CC(C)(C)Oc1cccc(CNCCn2cnc(C#N)n2)c1 ZINC000865565968 647363313 /nfs/dbraw/zinc/36/33/13/647363313.db2.gz DTEXSUXSSAHZBI-UHFFFAOYSA-N 0 3 299.378 2.117 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc2c(cc[nH]c2=O)o1 ZINC000865590702 647375611 /nfs/dbraw/zinc/37/56/11/647375611.db2.gz YKIZMSNLDXNDEQ-OLZOCXBDSA-N 0 3 274.320 2.357 20 30 CEEDHN Cc1c[nH]nc1CNC1CCN(c2ccccc2C#N)CC1 ZINC000865695875 647428355 /nfs/dbraw/zinc/42/83/55/647428355.db2.gz RMYFXEXQAHMIKB-UHFFFAOYSA-N 0 3 295.390 2.348 20 30 CEEDHN CN(C[C@H]1CCCN1C)c1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865883839 647523627 /nfs/dbraw/zinc/52/36/27/647523627.db2.gz NCAAECRAKZAJAD-LLVKDONJSA-N 0 3 292.314 2.136 20 30 CEEDHN Cn1cc(CNC2CSC2)c(-c2ccc(C#N)cc2)n1 ZINC000783599054 647735684 /nfs/dbraw/zinc/73/56/84/647735684.db2.gz IGUIJOTVQINRLG-UHFFFAOYSA-N 0 3 284.388 2.164 20 30 CEEDHN C[C@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1ccn(C)n1 ZINC000866615909 647843571 /nfs/dbraw/zinc/84/35/71/647843571.db2.gz JNDMMZUOZCFTDY-XHDPSFHLSA-N 0 3 266.348 2.110 20 30 CEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C2CCC2)c1 ZINC000786541968 648025403 /nfs/dbraw/zinc/02/54/03/648025403.db2.gz NIJSYFZYWPILAK-AWEZNQCLSA-N 0 3 270.332 2.120 20 30 CEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)Cc2ccco2)c1 ZINC000786549481 648026063 /nfs/dbraw/zinc/02/60/63/648026063.db2.gz QZOVEKARZSGVJN-OAHLLOKOSA-N 0 3 296.326 2.156 20 30 CEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)Cc2ccco2)c1 ZINC000786549479 648026163 /nfs/dbraw/zinc/02/61/63/648026163.db2.gz QZOVEKARZSGVJN-HNNXBMFYSA-N 0 3 296.326 2.156 20 30 CEEDHN CCCCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786568874 648027770 /nfs/dbraw/zinc/02/77/70/648027770.db2.gz BBEKUKUQNLQACW-LLVKDONJSA-N 0 3 294.301 2.480 20 30 CEEDHN COc1ccc(N2CCC(NCCC#N)CC2)cc1 ZINC000787300081 648096466 /nfs/dbraw/zinc/09/64/66/648096466.db2.gz DOTSFXPYFCYGRD-UHFFFAOYSA-N 0 3 259.353 2.167 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC000868582270 648181655 /nfs/dbraw/zinc/18/16/55/648181655.db2.gz YBDCXWLLLSJKSL-HNNXBMFYSA-N 0 3 290.794 2.051 20 30 CEEDHN CCCN1CC[C@H](NC(=O)c2sccc2CC#N)C1 ZINC000869285041 648401048 /nfs/dbraw/zinc/40/10/48/648401048.db2.gz MGQFIJJLHUWIJA-LBPRGKRZSA-N 0 3 277.393 2.028 20 30 CEEDHN N#CC(C(=O)CCc1nnc[nH]1)c1nccc2ccccc21 ZINC000792106275 648609101 /nfs/dbraw/zinc/60/91/01/648609101.db2.gz QECLYNCPCDXVEE-ZDUSSCGKSA-N 0 3 291.314 2.162 20 30 CEEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Nc1cccc(C#N)c1 ZINC000871764353 649176650 /nfs/dbraw/zinc/17/66/50/649176650.db2.gz XELGGCKYLVBDRF-LSDHHAIUSA-N 0 3 284.363 2.259 20 30 CEEDHN CC(C)(O)C[C@@H](O)CN[C@H](CCC#N)c1ccccc1 ZINC000872204968 649314698 /nfs/dbraw/zinc/31/46/98/649314698.db2.gz LZWOVSOHQIVBRL-HUUCEWRRSA-N 0 3 276.380 2.143 20 30 CEEDHN COCC#CCN1CCC[C@@H](OC2CCC2)CC1 ZINC000872279262 649341709 /nfs/dbraw/zinc/34/17/09/649341709.db2.gz CPUINZWGDMEMJW-OAHLLOKOSA-N 0 3 251.370 2.060 20 30 CEEDHN CN1CCC[C@@H]2[C@H]1CCN2c1nc(C#N)c(Cl)s1 ZINC000872778300 649485968 /nfs/dbraw/zinc/48/59/68/649485968.db2.gz FUTIWOCDGNPNPV-NXEZZACHSA-N 0 3 282.800 2.341 20 30 CEEDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(C#N)ccc1F ZINC000874826281 649843016 /nfs/dbraw/zinc/84/30/16/649843016.db2.gz NGPQAKMDVAMACD-GJZGRUSLSA-N 0 3 287.338 2.006 20 30 CEEDHN N#CCC1(CN2CC[C@](O)(c3ccc(F)cc3)C2)CC1 ZINC000878381328 651082295 /nfs/dbraw/zinc/08/22/95/651082295.db2.gz MRKOZNATBBCCQU-MRXNPFEDSA-N 0 3 274.339 2.413 20 30 CEEDHN N#CCC1(CN2CC[C@@](O)(c3ccc(F)cc3)C2)CC1 ZINC000878381327 651082616 /nfs/dbraw/zinc/08/26/16/651082616.db2.gz MRKOZNATBBCCQU-INIZCTEOSA-N 0 3 274.339 2.413 20 30 CEEDHN C#CCCCCCN(CC)C[C@H](O)C(F)(F)F ZINC000878462417 651102950 /nfs/dbraw/zinc/10/29/50/651102950.db2.gz LTDHUWKDFWUABG-NSHDSACASA-N 0 3 251.292 2.425 20 30 CEEDHN C=CC[C@H](C)[N@@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000878630160 651146034 /nfs/dbraw/zinc/14/60/34/651146034.db2.gz SSJBPXQVNVWTOH-WDEREUQCSA-N 0 3 278.318 2.342 20 30 CEEDHN C=CC[C@H](C)[N@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000878630160 651146035 /nfs/dbraw/zinc/14/60/35/651146035.db2.gz SSJBPXQVNVWTOH-WDEREUQCSA-N 0 3 278.318 2.342 20 30 CEEDHN C=CC[C@H](C(=O)OC)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000878666828 651158827 /nfs/dbraw/zinc/15/88/27/651158827.db2.gz VOJDTMDTFXKOQH-TUVASFSCSA-N 0 3 281.396 2.120 20 30 CEEDHN CN(CC1(CC#N)CC1)C[C@@]1(O)CCc2ccccc21 ZINC000878758735 651180654 /nfs/dbraw/zinc/18/06/54/651180654.db2.gz WBUROABZWLTBEA-KRWDZBQOSA-N 0 3 270.376 2.446 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000878877040 651202569 /nfs/dbraw/zinc/20/25/69/651202569.db2.gz ATCWCLPZLQYGSC-HOTGVXAUSA-N 0 3 282.347 2.152 20 30 CEEDHN COCCN(CC#Cc1ccc(F)cc1)C1CCOCC1 ZINC000879709104 651342254 /nfs/dbraw/zinc/34/22/54/651342254.db2.gz FKSBRUIBXQPPHA-UHFFFAOYSA-N 0 3 291.366 2.305 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](CF)C1 ZINC000880235261 651405310 /nfs/dbraw/zinc/40/53/10/651405310.db2.gz NEIXQLXYQUYEKK-UONOGXRCSA-N 0 3 268.376 2.257 20 30 CEEDHN C#CCNC(=O)CN[C@@H](CCCC=C)c1ccccc1 ZINC000880387481 651434671 /nfs/dbraw/zinc/43/46/71/651434671.db2.gz ALGMWCNMQKDVCG-INIZCTEOSA-N 0 3 270.376 2.423 20 30 CEEDHN C#CCC1(O)CCN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000880477790 651447963 /nfs/dbraw/zinc/44/79/63/651447963.db2.gz UXUPNJFTZOOCJP-JTQLQIEISA-N 0 3 262.180 2.030 20 30 CEEDHN C#CCCN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000880597516 651468370 /nfs/dbraw/zinc/46/83/70/651468370.db2.gz CMCOTAVUGFQVKM-CHWSQXEVSA-N 0 3 271.282 2.134 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)C2CC2)CCN1Cc1ccc(C#N)cc1 ZINC000946956053 652303850 /nfs/dbraw/zinc/30/38/50/652303850.db2.gz CSPDZMQVGXLZGG-CXAGYDPISA-N 0 3 297.402 2.437 20 30 CEEDHN C#CCOc1ccc(CN[C@H]2CCCC23OCCO3)cc1 ZINC000883178976 652390893 /nfs/dbraw/zinc/39/08/93/652390893.db2.gz JYNUSKUCWHDEJT-INIZCTEOSA-N 0 3 287.359 2.084 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1ccc(OC)cc1F ZINC000883399116 652456145 /nfs/dbraw/zinc/45/61/45/652456145.db2.gz FFIOSWCWUGILJM-LBPRGKRZSA-N 0 3 253.317 2.251 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cccc(OC)c1OC ZINC000883401514 652457424 /nfs/dbraw/zinc/45/74/24/652457424.db2.gz OPNSNWQNPDPCBP-ZDUSSCGKSA-N 0 3 265.353 2.121 20 30 CEEDHN Cc1cc(F)ccc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884050514 652662102 /nfs/dbraw/zinc/66/21/02/652662102.db2.gz BTAVQLZQRXHVBY-BGMSHATGSA-N 0 3 287.338 2.212 20 30 CEEDHN N#C[C@H]1CNCC12CC(C(=O)NCCCC1CCCC1)C2 ZINC000884082862 652699694 /nfs/dbraw/zinc/69/96/94/652699694.db2.gz XCEDMBLMDJRKGJ-CKDBGZEDSA-N 0 3 289.423 2.212 20 30 CEEDHN CCC1(CC)CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)C1 ZINC000884134086 652722424 /nfs/dbraw/zinc/72/24/24/652722424.db2.gz VTUKTDVIDLFIDB-XOYHFGRZSA-N 0 3 289.423 2.164 20 30 CEEDHN CCC(CC)(CC)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884154922 652731957 /nfs/dbraw/zinc/73/19/57/652731957.db2.gz QUNBCDQKOTXRQK-JVWICGRDSA-N 0 3 277.412 2.211 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)CC2=CCCCC2)[C@H]1CC ZINC001087522146 805663078 /nfs/dbraw/zinc/66/30/78/805663078.db2.gz PGNMKDLFBMEKBZ-JKSUJKDBSA-N 0 3 274.408 2.479 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cccc(C)c3)C[C@@H]2C1 ZINC001087873764 805831146 /nfs/dbraw/zinc/83/11/46/805831146.db2.gz QXBDKIWXTHTMED-SJORKVTESA-N 0 3 282.387 2.022 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C[C@H]3C=CCC3)C[C@@H]2C1 ZINC001087878576 805836262 /nfs/dbraw/zinc/83/62/62/805836262.db2.gz DWESFEFZLKTFIP-BBWFWOEESA-N 0 3 286.419 2.146 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)C3C(C)(C)C3(C)C)C[C@@H]2C1 ZINC001087922683 805854348 /nfs/dbraw/zinc/85/43/48/805854348.db2.gz XJKBVMUVKTUPIA-KGLIPLIRSA-N 0 3 288.435 2.082 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(CC)cc3)C[C@@H]2C1 ZINC001088188077 805968151 /nfs/dbraw/zinc/96/81/51/805968151.db2.gz ICIKEELNUYVBDR-MSOLQXFVSA-N 0 3 296.414 2.276 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)/C=C(/C)C3CC3)C2)C1 ZINC001040094566 806021533 /nfs/dbraw/zinc/02/15/33/806021533.db2.gz XJWQAMKUSZJCGW-NZHZHZHDSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCCCC(=O)N(C)CCN(C)Cc1ccccc1 ZINC001272004280 806234760 /nfs/dbraw/zinc/23/47/60/806234760.db2.gz FBSRNWWNFPKHAX-UHFFFAOYSA-N 0 3 272.392 2.380 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)n2C)[C@H]1C ZINC001088468071 806272661 /nfs/dbraw/zinc/27/26/61/806272661.db2.gz PFKSKTUCIQIWPX-KGLIPLIRSA-N 0 3 275.396 2.102 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cncc(C)c2)[C@H]1C ZINC001088505157 806327443 /nfs/dbraw/zinc/32/74/43/806327443.db2.gz WCFRGYQESLVRQS-HIFRSBDPSA-N 0 3 273.380 2.159 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC001088510713 806336286 /nfs/dbraw/zinc/33/62/86/806336286.db2.gz JWPCRKMSCAGODT-OLZOCXBDSA-N 0 3 276.424 2.271 20 30 CEEDHN COc1ccc2c(c1)C[C@@H](NC(=N)c1ccc(F)cn1)C2 ZINC001168236441 806426433 /nfs/dbraw/zinc/42/64/33/806426433.db2.gz WYFIQYNCOAUJCH-ZDUSSCGKSA-N 0 3 285.322 2.102 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001272092622 806508024 /nfs/dbraw/zinc/50/80/24/806508024.db2.gz GJCRVGZEXNVXHU-ZDUSSCGKSA-N 0 3 286.366 2.225 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1cncc2sccc21 ZINC001272093532 806508369 /nfs/dbraw/zinc/50/83/69/806508369.db2.gz SHMJJQHYRDTYCK-UHFFFAOYSA-N 0 3 289.404 2.486 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1CC12CCC2 ZINC001272117121 806555603 /nfs/dbraw/zinc/55/56/03/806555603.db2.gz ATCFSMWFFGTBLK-CYBMUJFWSA-N 0 3 250.386 2.143 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2c3c[nH]nc3ccc2C)[C@H]1C ZINC001088683880 806588314 /nfs/dbraw/zinc/58/83/14/806588314.db2.gz PNOQNNVNORLDFW-OCCSQVGLSA-N 0 3 298.390 2.250 20 30 CEEDHN C=C(C)C(=O)N1CCN(CC2CCCCC2)CC1 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C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)C(C)(F)F)[C@@H]2C1 ZINC001076255240 806830267 /nfs/dbraw/zinc/83/02/67/806830267.db2.gz YBSPQWRQTVRCCB-RWMBFGLXSA-N 0 3 286.366 2.387 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H](C)c3cccnc3)[C@@H]2C1 ZINC001076320756 806836764 /nfs/dbraw/zinc/83/67/64/806836764.db2.gz HVNXJNMQELPNHL-HYVNUMGLSA-N 0 3 299.418 2.294 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)C3CCC=CCC3)[C@@H]2C1 ZINC001076581889 806860450 /nfs/dbraw/zinc/86/04/50/806860450.db2.gz BQEYWNLUSSHRFK-JKSUJKDBSA-N 0 3 274.408 2.452 20 30 CEEDHN CN(CCNC(=O)c1ccc(C#N)[nH]1)CC1=CCCCC1 ZINC001266267924 802337171 /nfs/dbraw/zinc/33/71/71/802337171.db2.gz UDEFJFYJFNGBJN-UHFFFAOYSA-N 0 3 286.379 2.048 20 30 CEEDHN C=CCN(C)CCNC(=O)CC1(c2ccccc2)CC1 ZINC001266280688 802357054 /nfs/dbraw/zinc/35/70/54/802357054.db2.gz OZWUUSJZTUJHIC-UHFFFAOYSA-N 0 3 272.392 2.342 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2cc([C@@H](C)CC)no2)C1 ZINC001032035132 808256014 /nfs/dbraw/zinc/25/60/14/808256014.db2.gz OCYBEOPOQLDUCQ-LBPRGKRZSA-N 0 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C#CCN1CC[C@]2(CCCN2Cc2cccc(C)c2)C1=O ZINC001272906664 808856202 /nfs/dbraw/zinc/85/62/02/808856202.db2.gz BOGGVIYFKKTRDE-GOSISDBHSA-N 0 3 282.387 2.195 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1C ZINC001032775640 808858666 /nfs/dbraw/zinc/85/86/66/808858666.db2.gz UEWYUXBNBQVLCX-IRXDYDNUSA-N 0 3 284.403 2.399 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC)C12CCC2 ZINC001078517039 808904932 /nfs/dbraw/zinc/90/49/32/808904932.db2.gz ZRFMTINQXQWZNE-WDEREUQCSA-N 0 3 256.777 2.166 20 30 CEEDHN C=CC(C)(C)CC(=O)NCCNCc1cccc(C#N)c1 ZINC001128242567 809000836 /nfs/dbraw/zinc/00/08/36/809000836.db2.gz UDICKSXJKCHCNC-UHFFFAOYSA-N 0 3 285.391 2.366 20 30 CEEDHN C=CC(C)(C)CC(=O)NCCNCc1cnccc1C ZINC001128242189 809001706 /nfs/dbraw/zinc/00/17/06/809001706.db2.gz JVLPFYXJYAXQFF-UHFFFAOYSA-N 0 3 275.396 2.198 20 30 CEEDHN C=CC(C)(C)CC(=O)NCCNCc1scnc1C ZINC001128242303 809002045 /nfs/dbraw/zinc/00/20/45/809002045.db2.gz MPGFROPHBHJASP-UHFFFAOYSA-N 0 3 281.425 2.260 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)[C@H](C)C(C)(C)C)[C@H](OC)C1 ZINC001212469630 809013816 /nfs/dbraw/zinc/01/38/16/809013816.db2.gz HEDMGGUQVXWZMS-BFHYXJOUSA-N 0 3 282.428 2.060 20 30 CEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2scnc2CC)C1 ZINC001033129434 809194777 /nfs/dbraw/zinc/19/47/77/809194777.db2.gz ZAUAKLKYPJSJTR-LBPRGKRZSA-N 0 3 293.436 2.428 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(C)cncc2C)C1 ZINC001033270213 809254408 /nfs/dbraw/zinc/25/44/08/809254408.db2.gz FLQBBOMRNPFBMI-OAHLLOKOSA-N 0 3 287.407 2.421 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ncc(C)cc2C)C1 ZINC001033282519 809258071 /nfs/dbraw/zinc/25/80/71/809258071.db2.gz OTWSIEWGQDJXKU-OAHLLOKOSA-N 0 3 287.407 2.421 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(C)cc2)C1 ZINC001033612175 809363472 /nfs/dbraw/zinc/36/34/72/809363472.db2.gz GFDBJDCROPKNRL-INIZCTEOSA-N 0 3 270.376 2.165 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccccc2F)C1 ZINC001033632696 809367213 /nfs/dbraw/zinc/36/72/13/809367213.db2.gz DKQQJASHDZXTRY-OAHLLOKOSA-N 0 3 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/nfs/dbraw/zinc/62/50/02/809625002.db2.gz RWJPGMYJKCDFPN-ZDUSSCGKSA-N 0 3 298.390 2.333 20 30 CEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(C)nc2C)C1 ZINC001034542987 809628370 /nfs/dbraw/zinc/62/83/70/809628370.db2.gz YMMJEJRWLBVHJN-MRXNPFEDSA-N 0 3 299.418 2.306 20 30 CEEDHN C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(C/C=C\Cl)CC2 ZINC001040635252 809782316 /nfs/dbraw/zinc/78/23/16/809782316.db2.gz CJKMWRFDSNJOAN-XYRDXQRHSA-N 0 3 295.814 2.213 20 30 CEEDHN C[C@@]1(C(F)(F)F)CCN(CCOCCC#N)C1 ZINC000708723483 809934320 /nfs/dbraw/zinc/93/43/20/809934320.db2.gz OICNEBCODHSYMB-SNVBAGLBSA-N 0 3 250.264 2.191 20 30 CEEDHN O=C(C#CC1CC1)N1CC[C@@H]2[C@H](CCN2C/C=C/Cl)C1 ZINC001036708943 810088656 /nfs/dbraw/zinc/08/86/56/810088656.db2.gz NOYAJAHXXZYULR-AZKLZTBZSA-N 0 3 292.810 2.075 20 30 CEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccnc(C)c1 ZINC001273189861 810110447 /nfs/dbraw/zinc/11/04/47/810110447.db2.gz VSZGHSKSJOZXPI-HZPDHXFCSA-N 0 3 285.391 2.141 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2C)C1 ZINC001079375331 810205453 /nfs/dbraw/zinc/20/54/53/810205453.db2.gz CVUXQGIQLWADHA-GDBMZVCRSA-N 0 3 270.376 2.068 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2ccsc2)C1 ZINC001079380255 810206407 /nfs/dbraw/zinc/20/64/07/810206407.db2.gz DGXYJCMZNFOKKT-TZMCWYRMSA-N 0 3 278.421 2.303 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001080013514 810243681 /nfs/dbraw/zinc/24/36/81/810243681.db2.gz MFYCQBNXYJWWPK-CZUORRHYSA-N 0 3 287.407 2.325 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccn3ccccc23)C1 ZINC001015227013 810268734 /nfs/dbraw/zinc/26/87/34/810268734.db2.gz XLJVTJALLOPORS-AWEZNQCLSA-N 0 3 283.375 2.320 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001080383457 810274033 /nfs/dbraw/zinc/27/40/33/810274033.db2.gz FNECVLDDUZKZOY-UKRRQHHQSA-N 0 3 262.397 2.355 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@H]2CCC(C)(C)CO2)C1 ZINC001015319139 810278688 /nfs/dbraw/zinc/27/86/88/810278688.db2.gz QRSARYMFIMNAPU-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001080406276 810279075 /nfs/dbraw/zinc/27/90/75/810279075.db2.gz PZHIRJJVXXNZBE-KCYZZUKISA-N 0 3 274.408 2.027 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001080754525 810304405 /nfs/dbraw/zinc/30/44/05/810304405.db2.gz OHIZZYKPNULRGX-UMVBOHGHSA-N 0 3 264.413 2.435 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001080835800 810312420 /nfs/dbraw/zinc/31/24/20/810312420.db2.gz OCXHCRLASFJBAO-GDBMZVCRSA-N 0 3 270.376 2.068 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001080896003 810318004 /nfs/dbraw/zinc/31/80/04/810318004.db2.gz IOSQLISTOSGAGW-NVXWUHKLSA-N 0 3 296.414 2.178 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001080922606 810318438 /nfs/dbraw/zinc/31/84/38/810318438.db2.gz LJMBYKIRDLSKNU-CXAGYDPISA-N 0 3 284.403 2.411 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001015630453 810319949 /nfs/dbraw/zinc/31/99/49/810319949.db2.gz BPXJDEIBQBAXLS-SNVBAGLBSA-N 0 3 298.308 2.484 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC001015643947 810323521 /nfs/dbraw/zinc/32/35/21/810323521.db2.gz WSPKQVBSNNVHHJ-CQSZACIVSA-N 0 3 288.391 2.384 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)C2CCC2)C[C@H]1c1ccccc1 ZINC001081077372 810329213 /nfs/dbraw/zinc/32/92/13/810329213.db2.gz PKPHEZKIWBAIAI-DLBZAZTESA-N 0 3 282.387 2.004 20 30 CEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2conc2C2CC2)C1 ZINC001015684321 810332887 /nfs/dbraw/zinc/33/28/87/810332887.db2.gz ODJWSPGSPQSVEN-ZDUSSCGKSA-N 0 3 289.379 2.322 20 30 CEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001015711369 810338892 /nfs/dbraw/zinc/33/88/92/810338892.db2.gz GCPJYXNZAWPOPV-JTQLQIEISA-N 0 3 299.321 2.383 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)[C@H](OC)C1 ZINC001082113133 810367425 /nfs/dbraw/zinc/36/74/25/810367425.db2.gz YXQPDSIBAMDRAM-KLHDSHLOSA-N 0 3 294.439 2.204 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)[C@H](C)C2CCCC2)[C@H](OC)C1 ZINC001082319607 810375165 /nfs/dbraw/zinc/37/51/65/810375165.db2.gz BQLDPFRMHDAVRW-FVQBIDKESA-N 0 3 294.439 2.204 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2coc(CCC)n2)C1 ZINC001015989739 810384599 /nfs/dbraw/zinc/38/45/99/810384599.db2.gz XMJXHLYTYRHLBY-GFCCVEGCSA-N 0 3 277.368 2.007 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCC(F)(F)[C@@H](CO)C1 ZINC001172314240 815367754 /nfs/dbraw/zinc/36/77/54/815367754.db2.gz ICUXNIXXQOSDEE-SWLSCSKDSA-N 0 3 294.345 2.439 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)COc1ccccc1F ZINC001121934338 815368539 /nfs/dbraw/zinc/36/85/39/815368539.db2.gz XKXJBSDDADTLSJ-OCCSQVGLSA-N 0 3 294.370 2.393 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001016290611 810421355 /nfs/dbraw/zinc/42/13/55/810421355.db2.gz NZOKVDONAXWMEC-OAHLLOKOSA-N 0 3 288.366 2.270 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001121996752 815375917 /nfs/dbraw/zinc/37/59/17/815375917.db2.gz MZDHYBKQIYDCAV-AWEZNQCLSA-N 0 3 293.386 2.192 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cscc2C)CC1 ZINC001016558243 810451572 /nfs/dbraw/zinc/45/15/72/810451572.db2.gz CVVVMDCRGRKSEF-CQSZACIVSA-N 0 3 288.416 2.274 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@]2(C)CC=CCC2)CC1 ZINC001016647199 810460130 /nfs/dbraw/zinc/46/01/30/810460130.db2.gz WOYMEUAPYWBROK-WBVHZDCISA-N 0 3 286.419 2.337 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(CC)ccn3)[C@@H]2C1 ZINC001084366951 810466035 /nfs/dbraw/zinc/46/60/35/810466035.db2.gz DLNYPQPQKYHJHO-NVXWUHKLSA-N 0 3 299.418 2.366 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H]3C=CCCC3)[C@@H]2C1 ZINC001084444835 810473870 /nfs/dbraw/zinc/47/38/70/810473870.db2.gz HCEIBPHWCCJLMY-BRWVUGGUSA-N 0 3 286.419 2.289 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(F)s2)CC1 ZINC001016998041 810480993 /nfs/dbraw/zinc/48/09/93/810480993.db2.gz OVPXCTDXXSWVIB-LBPRGKRZSA-N 0 3 292.379 2.105 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCC(C1CC1)C1CC1 ZINC001121966936 815372932 /nfs/dbraw/zinc/37/29/32/815372932.db2.gz LGXWRMUBPZYUDP-AWEZNQCLSA-N 0 3 250.386 2.222 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3CC4(CC4)C3)[C@@H]2C1 ZINC001084651422 810493536 /nfs/dbraw/zinc/49/35/36/810493536.db2.gz NIBNIQZKYIBONV-UKRRQHHQSA-N 0 3 274.408 2.285 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCCc1ncc(CC)s1 ZINC001122005616 815376584 /nfs/dbraw/zinc/37/65/84/815376584.db2.gz PRHVJNJNCWOZBY-GFCCVEGCSA-N 0 3 281.425 2.048 20 30 CEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)OCC ZINC001098927846 810543565 /nfs/dbraw/zinc/54/35/65/810543565.db2.gz QFRGQGTWUSCBKZ-GJZGRUSLSA-N 0 3 294.439 2.042 20 30 CEEDHN CC(C)CCCN1CC[C@H]1CN(C)C(=O)CSCC#N ZINC001230815962 810558076 /nfs/dbraw/zinc/55/80/76/810558076.db2.gz VNYVUWWQXNDXMY-AWEZNQCLSA-N 0 3 297.468 2.212 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CC(C)C ZINC001231061551 810582729 /nfs/dbraw/zinc/58/27/29/810582729.db2.gz KSKSPHZFFYKNOY-CABCVRRESA-N 0 3 282.428 2.156 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)Cc2c(C)cccc2Cl)C1 ZINC001019090816 810676425 /nfs/dbraw/zinc/67/64/25/810676425.db2.gz WXAFGDCIXWJVCI-ZDUSSCGKSA-N 0 3 290.794 2.015 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001019889697 810746408 /nfs/dbraw/zinc/74/64/08/810746408.db2.gz CLXHDJLAMMQFCU-GJZGRUSLSA-N 0 3 276.424 2.417 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2sccc2F)C1 ZINC001020126363 810770471 /nfs/dbraw/zinc/77/04/71/810770471.db2.gz NHSRDIYNEMYLJD-KYZUINATSA-N 0 3 288.775 2.490 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(Cl)c[nH]1 ZINC001085474628 810779390 /nfs/dbraw/zinc/77/93/90/810779390.db2.gz HVVJGZSHPVIYOK-LBPRGKRZSA-N 0 3 281.787 2.391 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NC[C@@H]1CCC=CCCC1 ZINC001122296538 815401131 /nfs/dbraw/zinc/40/11/31/815401131.db2.gz AHOWKUXQSRJBIH-KGLIPLIRSA-N 0 3 263.385 2.260 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1CC(OCC)C1 ZINC001085576210 810836415 /nfs/dbraw/zinc/83/64/15/810836415.db2.gz NURWMJWBKATFOH-HWOWSKLDSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1CC(OCC)C1 ZINC001085576211 810837583 /nfs/dbraw/zinc/83/75/83/810837583.db2.gz NURWMJWBKATFOH-PCKAHOCUSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1c2c[nH]nc2ccc1C ZINC001038424793 810838981 /nfs/dbraw/zinc/83/89/81/810838981.db2.gz CDZAPSNKUPEEKQ-ZDUSSCGKSA-N 0 3 298.390 2.252 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccc(COC)c1 ZINC001038472065 810844790 /nfs/dbraw/zinc/84/47/90/810844790.db2.gz SDMFVDGAROCSKF-INIZCTEOSA-N 0 3 288.391 2.213 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCO[C@H]1C=C ZINC001085601919 810848437 /nfs/dbraw/zinc/84/84/37/810848437.db2.gz KPFBLFXTJOFFBC-XHSDSOJGSA-N 0 3 292.423 2.076 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)[nH]nc1Cl ZINC001085634853 810860372 /nfs/dbraw/zinc/86/03/72/810860372.db2.gz BZAWTIREAIHMCH-LLVKDONJSA-N 0 3 296.802 2.094 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001038609886 810872963 /nfs/dbraw/zinc/87/29/63/810872963.db2.gz FYSPPYUDOKDKCO-STQMWFEESA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnc2ccccn21 ZINC001085683210 810874541 /nfs/dbraw/zinc/87/45/41/810874541.db2.gz LUMBIYXYGCORQG-CQSZACIVSA-N 0 3 298.390 2.057 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ncc(C)cc1C ZINC001085736675 810892113 /nfs/dbraw/zinc/89/21/13/810892113.db2.gz RLAWVOLXQYJBTC-HNNXBMFYSA-N 0 3 287.407 2.421 20 30 CEEDHN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc(CCC)[nH]n1 ZINC001085754303 810899872 /nfs/dbraw/zinc/89/98/72/810899872.db2.gz DFSYACVESZDSJW-CQSZACIVSA-N 0 3 290.411 2.085 20 30 CEEDHN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CC(C)C)cc1 ZINC001085757338 810901691 /nfs/dbraw/zinc/90/16/91/810901691.db2.gz FVAFARVNTXTQTP-KRWDZBQOSA-N 0 3 284.403 2.470 20 30 CEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCN1CCCC ZINC001038799312 810918429 /nfs/dbraw/zinc/91/84/29/810918429.db2.gz KWKJAKISYOKRJM-JYJNAYRXSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cccn2ccnc12 ZINC001038807683 810919086 /nfs/dbraw/zinc/91/90/86/810919086.db2.gz XEYKYNPKUVUBDO-AWEZNQCLSA-N 0 3 298.390 2.105 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccn(C)c1C ZINC001085806387 810922423 /nfs/dbraw/zinc/92/24/23/810922423.db2.gz GNTQBCVWFSBUCV-CQSZACIVSA-N 0 3 275.396 2.056 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)n[nH]1 ZINC001085833108 810935082 /nfs/dbraw/zinc/93/50/82/810935082.db2.gz ATJGPWVUQRBRNG-CYBMUJFWSA-N 0 3 290.411 2.256 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cccc2[nH]c(C)nc21 ZINC001038881604 810936717 /nfs/dbraw/zinc/93/67/17/810936717.db2.gz RDYYARVLHJSDBL-CYBMUJFWSA-N 0 3 298.390 2.252 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001038986068 810963315 /nfs/dbraw/zinc/96/33/15/810963315.db2.gz MVNNKJGQZUJZAA-HNNXBMFYSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(COC)cc1 ZINC001039010364 810968897 /nfs/dbraw/zinc/96/88/97/810968897.db2.gz RSQINKJTNPHYCF-INIZCTEOSA-N 0 3 288.391 2.213 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)n(C)c1C ZINC001085964635 810986868 /nfs/dbraw/zinc/98/68/68/810986868.db2.gz MVSJQHVZFHOUHT-OAHLLOKOSA-N 0 3 289.423 2.364 20 30 CEEDHN C#CCNCCN(CC)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001273382558 810994997 /nfs/dbraw/zinc/99/49/97/810994997.db2.gz RJKKNDCAUAOWEL-SJORKVTESA-N 0 3 298.430 2.498 20 30 CEEDHN CC#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CC)C1 ZINC001039187077 810997746 /nfs/dbraw/zinc/99/77/46/810997746.db2.gz DZOBZJOAKZKOTP-HUUCEWRRSA-N 0 3 262.397 2.123 20 30 CEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC=CC2)C1 ZINC001039208202 811000103 /nfs/dbraw/zinc/00/01/03/811000103.db2.gz DMQWXNOKJBHNCT-SJORKVTESA-N 0 3 286.419 2.289 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC=CCC1 ZINC001039340040 811012856 /nfs/dbraw/zinc/01/28/56/811012856.db2.gz MYQDCJXDRXFRTJ-BBWFWOEESA-N 0 3 286.419 2.431 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnccc1C ZINC001039350311 811014752 /nfs/dbraw/zinc/01/47/52/811014752.db2.gz DNSNHPWRZHROPG-CVEARBPZSA-N 0 3 297.402 2.092 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCO1 ZINC001039360690 811017446 /nfs/dbraw/zinc/01/74/46/811017446.db2.gz RSZVHFHHXAOGLM-OWCLPIDISA-N 0 3 292.423 2.197 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)c3ccoc3C)C2)C1 ZINC001040064778 811081638 /nfs/dbraw/zinc/08/16/38/811081638.db2.gz QKHAPUWXWMNCIL-QGZVFWFLSA-N 0 3 286.375 2.149 20 30 CEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H](C)C3CC3)C2)C1 ZINC001040141292 811090814 /nfs/dbraw/zinc/09/08/14/811090814.db2.gz NSDMTLKBXMMVJB-CRAIPNDOSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC001040220247 811098541 /nfs/dbraw/zinc/09/85/41/811098541.db2.gz IGTUHQQQBYAKRY-KRWDZBQOSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@H]3CCC3(C)C)C2)C1 ZINC001040341799 811104718 /nfs/dbraw/zinc/10/47/18/811104718.db2.gz VIKATYYPGIEWCR-QAPCUYQASA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3conc3C)C2)C1 ZINC001040358993 811105222 /nfs/dbraw/zinc/10/52/22/811105222.db2.gz AZXUEZHCPHBTCU-MRXNPFEDSA-N 0 3 289.379 2.097 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)c3cc[nH]c3CC)C2)CC1 ZINC001040691447 811121700 /nfs/dbraw/zinc/12/17/00/811121700.db2.gz SCBNAWKJXQTJJV-UHFFFAOYSA-N 0 3 299.418 2.138 20 30 CEEDHN CC#CCN1CCC2(CCN(C(=O)C3(C)CC3)C2)CC1 ZINC001040712736 811124439 /nfs/dbraw/zinc/12/44/39/811124439.db2.gz LRYLSDFVTPBWRD-UHFFFAOYSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)[C@@H](C)C(C)C)C2)CC1 ZINC001040870338 811128391 /nfs/dbraw/zinc/12/83/91/811128391.db2.gz HPAMZVPQLXPNCV-HNNXBMFYSA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3oc(C)cc3C)C2)C1 ZINC001041180157 811147853 /nfs/dbraw/zinc/14/78/53/811147853.db2.gz CGYWYYDSLSFZHX-QGZVFWFLSA-N 0 3 286.375 2.068 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3[nH]c(C)cc3C)C2)C1 ZINC001041411547 811163839 /nfs/dbraw/zinc/16/38/39/811163839.db2.gz ALMASLBOJSDKBS-SFHVURJKSA-N 0 3 299.418 2.193 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cnoc2CC)C1 ZINC001086493960 811165700 /nfs/dbraw/zinc/16/57/00/811165700.db2.gz HPLGOKFDSXRUPG-XYPYZODXSA-N 0 3 297.786 2.088 20 30 CEEDHN C=CCN1CC[C@]2(CCN(C(=O)c3cc(Cl)no3)C2)C1 ZINC001041796899 811192818 /nfs/dbraw/zinc/19/28/18/811192818.db2.gz 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/nfs/dbraw/zinc/25/04/03/811250403.db2.gz LIZZWUYAYGWEPE-UONOGXRCSA-N 0 3 262.397 2.285 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)c3cccn3CC)C[C@@H]21 ZINC001042360348 811273533 /nfs/dbraw/zinc/27/35/33/811273533.db2.gz RRWCPXRPHVANMH-RDJZCZTQSA-N 0 3 299.418 2.068 20 30 CEEDHN C=C(Br)CNCCCNC(=O)[C@H](C)C1CC1 ZINC001156250582 811367421 /nfs/dbraw/zinc/36/74/21/811367421.db2.gz ZXMCLWYACSMFCF-SNVBAGLBSA-N 0 3 289.217 2.037 20 30 CEEDHN C[C@@H](N)c1ccn(-c2ccc(C(F)(F)F)c(C#N)n2)n1 ZINC001169228309 811440818 /nfs/dbraw/zinc/44/08/18/811440818.db2.gz OHWLMRWDCAQVJA-SSDOTTSWSA-N 0 3 281.241 2.177 20 30 CEEDHN COC(=O)CN([C@H](C)CCCC#N)C1CCCC1 ZINC001172500289 815455293 /nfs/dbraw/zinc/45/52/93/815455293.db2.gz KZGAANRCQHJIPQ-GFCCVEGCSA-N 0 3 252.358 2.486 20 30 CEEDHN CC#Cc1cncc(N2CCCc3ccc(CN)nc32)c1 ZINC001169590871 811577823 /nfs/dbraw/zinc/57/78/23/811577823.db2.gz PHORXDMPAHAHGL-UHFFFAOYSA-N 0 3 278.359 2.391 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001045400036 811606651 /nfs/dbraw/zinc/60/66/51/811606651.db2.gz UCKGIMORGUKSQD-ZSHCYNCHSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001045456796 811614756 /nfs/dbraw/zinc/61/47/56/811614756.db2.gz DSFRIGDDJAQAAD-GJZGRUSLSA-N 0 3 294.439 2.204 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2conc2CC)CC1 ZINC001045547285 811623595 /nfs/dbraw/zinc/62/35/95/811623595.db2.gz HBQFNTUZAZAMKF-UHFFFAOYSA-N 0 3 277.368 2.007 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CC23CCC3)CC1 ZINC001045571759 811626726 /nfs/dbraw/zinc/62/67/26/811626726.db2.gz JTEXPDZSOQOETC-CYBMUJFWSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC001045566448 811626879 /nfs/dbraw/zinc/62/68/79/811626879.db2.gz BAUXEYIMBDHVIE-UHFFFAOYSA-N 0 3 290.411 2.303 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2c[nH]c3cccnc32)CC1 ZINC001045620871 811633511 /nfs/dbraw/zinc/63/35/11/811633511.db2.gz VXLUWRZVXAXDBH-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1ccncc1)C2 ZINC001045907583 811662500 /nfs/dbraw/zinc/66/25/00/811662500.db2.gz AGHOWEGFZMKDBE-SFHVURJKSA-N 0 3 297.402 2.033 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1ccccn1)C2 ZINC001045908819 811663042 /nfs/dbraw/zinc/66/30/42/811663042.db2.gz JWGOVNDLUMIVHP-SFHVURJKSA-N 0 3 297.402 2.033 20 30 CEEDHN N#CCC1(N[C@H]2CCCC3(C2)OCCO3)CCCC1 ZINC001169936241 811715782 /nfs/dbraw/zinc/71/57/82/811715782.db2.gz PAXKVIVLFBZYJJ-ZDUSSCGKSA-N 0 3 264.369 2.488 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001046408677 811750911 /nfs/dbraw/zinc/75/09/11/811750911.db2.gz LTMXWYOWFRIWCH-WCQYABFASA-N 0 3 272.339 2.188 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H]2CCC2(C)C)C1 ZINC001046559408 811775831 /nfs/dbraw/zinc/77/58/31/811775831.db2.gz FIPHNDIEAWVPMW-CJNGLKHVSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001046620842 811787114 /nfs/dbraw/zinc/78/71/14/811787114.db2.gz RXMSPOUFCARMBV-UKRRQHHQSA-N 0 3 298.377 2.416 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2csc(C)c2)C1 ZINC001046704077 811803923 /nfs/dbraw/zinc/80/39/23/811803923.db2.gz MWRATBVZDHOSFD-HNNXBMFYSA-N 0 3 276.405 2.274 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCSCC)C2 ZINC001108983526 811806346 /nfs/dbraw/zinc/80/63/46/811806346.db2.gz UXRSONXKKDQLLY-RDBSUJKOSA-N 0 3 282.453 2.427 20 30 CEEDHN COC(=O)[C@@H]1CCC[C@H](NCC2(C#N)CCCC2)C1 ZINC001172585888 815476872 /nfs/dbraw/zinc/47/68/72/815476872.db2.gz IDOKZPXVVKGBPL-OLZOCXBDSA-N 0 3 264.369 2.392 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(C(F)F)o2)C1 ZINC001046806206 811820507 /nfs/dbraw/zinc/82/05/07/811820507.db2.gz OZWDUYJNNCMHND-OAHLLOKOSA-N 0 3 296.317 2.435 20 30 CEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCC1)C2 ZINC001109114084 811825030 /nfs/dbraw/zinc/82/50/30/811825030.db2.gz XLOWWESMZBIREE-PMPSAXMXSA-N 0 3 292.423 2.101 20 30 CEEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ocnc1C)C2 ZINC001109118117 811825667 /nfs/dbraw/zinc/82/56/67/811825667.db2.gz YWKCRTXIYPUOHU-RDBSUJKOSA-N 0 3 289.379 2.284 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc(CF)cc2)C1 ZINC001046863550 811831214 /nfs/dbraw/zinc/83/12/14/811831214.db2.gz BHFNRTMYKCDQHH-KRWDZBQOSA-N 0 3 288.366 2.374 20 30 CEEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)C3CC3)C2)CC1 ZINC001047215138 811869479 /nfs/dbraw/zinc/86/94/79/811869479.db2.gz IGXQOEACJCLIGJ-QGZVFWFLSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C(C)C)C2)CC1 ZINC001047225722 811871502 /nfs/dbraw/zinc/87/15/02/811871502.db2.gz VWSVXTMZCIWTKY-INIZCTEOSA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]cc1C1CC1)C2 ZINC001096262618 811920107 /nfs/dbraw/zinc/92/01/07/811920107.db2.gz ZDTWUDCGRKOVRQ-COXVUDFISA-N 0 3 297.402 2.251 20 30 CEEDHN C=CCC(C)(C)C(=O)OC[C@H]1CCN1C1CCOCC1 ZINC001123247771 815494099 /nfs/dbraw/zinc/49/40/99/815494099.db2.gz NXMLUEDEYMJORH-CQSZACIVSA-N 0 3 281.396 2.385 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc([C@@H]4C[C@H]4C)o3)C[C@@H]2C1 ZINC001048816121 812030417 /nfs/dbraw/zinc/03/04/17/812030417.db2.gz RRQFHYDZLQPYMA-APIJFGDWSA-N 0 3 298.386 2.040 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C(C)(C)C3CCC3)C[C@@H]2C1 ZINC001048965651 812047167 /nfs/dbraw/zinc/04/71/67/812047167.db2.gz SRXUHSOFDBUCPH-GASCZTMLSA-N 0 3 288.435 2.226 20 30 CEEDHN C=CCC[C@@H](C)N1CCN(C(=O)/C=C/C2CC2)CC1 ZINC001112744385 812052391 /nfs/dbraw/zinc/05/23/91/812052391.db2.gz QXVRZFRPVYZJRT-MYSGNRETSA-N 0 3 262.397 2.452 20 30 CEEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@H]2CCCCO2)CC1 ZINC001112761684 812055693 /nfs/dbraw/zinc/05/56/93/812055693.db2.gz GPQRJKMLHLHSNG-JKSUJKDBSA-N 0 3 294.439 2.445 20 30 CEEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@](C)(O)C2CC2)CC1 ZINC001112769855 812060575 /nfs/dbraw/zinc/06/05/75/812060575.db2.gz AVFQIKHLYANBOV-PBHICJAKSA-N 0 3 294.439 2.036 20 30 CEEDHN CC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1ccc(C#N)cc1 ZINC001049258472 812094684 /nfs/dbraw/zinc/09/46/84/812094684.db2.gz JHSJTYRSVPZZAH-SJORKVTESA-N 0 3 283.375 2.143 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCCC1 ZINC001049277169 812104442 /nfs/dbraw/zinc/10/44/42/812104442.db2.gz NZEGYFBQUHDOCT-GJZGRUSLSA-N 0 3 262.397 2.428 20 30 CEEDHN C#CCCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccs1 ZINC001049301694 812112621 /nfs/dbraw/zinc/11/26/21/812112621.db2.gz KSYBQMXRTPEBGU-KBPBESRZSA-N 0 3 288.416 2.450 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1C=CCC1 ZINC001049312231 812115392 /nfs/dbraw/zinc/11/53/92/812115392.db2.gz DDYSKIQNUPBGKV-BRWVUGGUSA-N 0 3 286.419 2.431 20 30 CEEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ocnc1C ZINC001049398129 812136213 /nfs/dbraw/zinc/13/62/13/812136213.db2.gz SNGOADUKQBNKIE-ZIAGYGMSSA-N 0 3 289.379 2.238 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC1(F)F ZINC001049546694 812164527 /nfs/dbraw/zinc/16/45/27/812164527.db2.gz RSSAKKXEHXTPPB-HZSPNIEDSA-N 0 3 296.361 2.120 20 30 CEEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cc1ccc(C)cc1 ZINC001049579579 812169722 /nfs/dbraw/zinc/16/97/22/812169722.db2.gz LXBPWDHWPIODOY-MSOLQXFVSA-N 0 3 296.414 2.236 20 30 CEEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001049662869 812185230 /nfs/dbraw/zinc/18/52/30/812185230.db2.gz ISULDKMOGSCRCC-HMDCTGQHSA-N 0 3 286.419 2.121 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C(C)C ZINC001049771692 812206676 /nfs/dbraw/zinc/20/66/76/812206676.db2.gz ZQBMPEMWKQSBQH-ARFHVFGLSA-N 0 3 276.424 2.367 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c([nH]1)CCC2 ZINC001049844166 812218383 /nfs/dbraw/zinc/21/83/83/812218383.db2.gz NONVGNHAFHWYHV-DLBZAZTESA-N 0 3 299.418 2.368 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH]cc1C ZINC001049891080 812225710 /nfs/dbraw/zinc/22/57/10/812225710.db2.gz QRLNXCPLRWAMRY-HZPDHXFCSA-N 0 3 285.391 2.025 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)n1C)C2 ZINC001096793972 812277487 /nfs/dbraw/zinc/27/74/87/812277487.db2.gz QBOHGQRXNTWRIX-KFWWJZLASA-N 0 3 287.407 2.245 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)CCC3CCC3)C2)CC1 ZINC001050477021 812298919 /nfs/dbraw/zinc/29/89/19/812298919.db2.gz PSTUJPMXNIGRHQ-UHFFFAOYSA-N 0 3 274.408 2.124 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cocc1C)C2 ZINC001097656510 812388023 /nfs/dbraw/zinc/38/80/23/812388023.db2.gz FNQKJAKXCIINTB-YUELXQCFSA-N 0 3 274.364 2.499 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2ccoc2CCC)CC1 ZINC001052864272 812468006 /nfs/dbraw/zinc/46/80/06/812468006.db2.gz FFVSVMUPVWYXOZ-AWEZNQCLSA-N 0 3 288.391 2.450 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CC)C1 ZINC001053056013 812485489 /nfs/dbraw/zinc/48/54/89/812485489.db2.gz ALJAGNYTKBYWIL-HUUCEWRRSA-N 0 3 262.397 2.123 20 30 CEEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC2)C1 ZINC001053058810 812487315 /nfs/dbraw/zinc/48/73/15/812487315.db2.gz ORCJOJVYTYQERG-JKSUJKDBSA-N 0 3 274.408 2.123 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@H]2CCCCN2C(C)=O)C1 ZINC001053061693 812487604 /nfs/dbraw/zinc/48/76/04/812487604.db2.gz UINLGPZXSYRDEQ-HZPDHXFCSA-N 0 3 262.397 2.123 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001054080561 812531664 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ZINC001073031832 813716688 /nfs/dbraw/zinc/71/66/88/813716688.db2.gz RNGQJSRLHRLYKC-ZIAGYGMSSA-N 0 3 262.397 2.143 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)c3ccc(C)cc3C)C2)C1 ZINC001073400037 813750553 /nfs/dbraw/zinc/75/05/53/813750553.db2.gz ITLJCQMZFJHMDZ-UHFFFAOYSA-N 0 3 296.414 2.475 20 30 CEEDHN C=CC(=NCOC)N[C@H]1CCc2ccc(O)cc2C1 ZINC001171029934 813758145 /nfs/dbraw/zinc/75/81/45/813758145.db2.gz WVFJZTAJEBBCSU-ZDUSSCGKSA-N 0 3 260.337 2.028 20 30 CEEDHN C=CCOC(=O)[C@@H](N)CCCCNc1nc(C)ccc1C ZINC001171067809 813798426 /nfs/dbraw/zinc/79/84/26/813798426.db2.gz PZMJSPNGTCAYEU-AWEZNQCLSA-N 0 3 291.395 2.337 20 30 CEEDHN CN1CCC(CC(=O)NC2=CC(=O)CC(C)(C)C2)CC1 ZINC001143360356 813854275 /nfs/dbraw/zinc/85/42/75/813854275.db2.gz KPQFILPGGMVCHA-UHFFFAOYSA-N 0 3 278.396 2.108 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccc(C)cc2)C1 ZINC001098931415 813962600 /nfs/dbraw/zinc/96/26/00/813962600.db2.gz QQUDSSCRSNSKDM-HKUYNNGSSA-N 0 3 296.414 2.141 20 30 CEEDHN COC[C@@]12CCC[C@@H]1CN(Cc1ccc(C#N)cn1)C2 ZINC001144158583 813970332 /nfs/dbraw/zinc/97/03/32/813970332.db2.gz LUBIIKUDERSWFD-ZBFHGGJFSA-N 0 3 271.364 2.202 20 30 CEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C#CC1CC1 ZINC001099065660 813984570 /nfs/dbraw/zinc/98/45/70/813984570.db2.gz WENVEKZHXZTETN-INIZCTEOSA-N 0 3 286.419 2.030 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccccc2C)C1 ZINC001099155103 813991008 /nfs/dbraw/zinc/99/10/08/813991008.db2.gz ZPUSWKDPBSPFAQ-HKUYNNGSSA-N 0 3 296.414 2.141 20 30 CEEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCC(C)(C)CN1CCO ZINC001099251684 813996972 /nfs/dbraw/zinc/99/69/72/813996972.db2.gz NNFGLBJXTMFQMB-CQSZACIVSA-N 0 3 296.455 2.188 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@]1(C)CCOC1 ZINC001099281859 813997057 /nfs/dbraw/zinc/99/70/57/813997057.db2.gz ZZZLEIUAGHJNKJ-RHSMWYFYSA-N 0 3 294.439 2.206 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C(CCC)CCC)[C@@H](O)C1 ZINC001099971464 814049204 /nfs/dbraw/zinc/04/92/04/814049204.db2.gz IMISDQURYSWFFA-HOTGVXAUSA-N 0 3 296.455 2.330 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)CC(C)C)[C@@H](O)C1 ZINC001100068763 814059718 /nfs/dbraw/zinc/05/97/18/814059718.db2.gz ATTHLHCHQPTZJG-CABCVRRESA-N 0 3 296.455 2.186 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)n1cnc2c1CNCC2 ZINC001171210257 814161114 /nfs/dbraw/zinc/16/11/14/814161114.db2.gz RCEXRJVRJNIHHS-GFCCVEGCSA-N 0 3 266.348 2.204 20 30 CEEDHN CC(=O)N[C@@H]1CCCN([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171220481 814179813 /nfs/dbraw/zinc/17/98/13/814179813.db2.gz ALYAZEHAMCXGSF-SUMWQHHRSA-N 0 3 285.391 2.090 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)N1C[C@H]2CC[C@@H](C1)C2=O ZINC001171220648 814182304 /nfs/dbraw/zinc/18/23/04/814182304.db2.gz AOMOUWUIGXNDDR-WQVCFCJDSA-N 0 3 268.360 2.400 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)N(C)Cc1cnccn1 ZINC001171225187 814190637 /nfs/dbraw/zinc/19/06/37/814190637.db2.gz YNYHIAOGBFTTKF-ZDUSSCGKSA-N 0 3 266.348 2.411 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)/C(C)=C\CC)C[C@]2(C)C1 ZINC001101155727 814227889 /nfs/dbraw/zinc/22/78/89/814227889.db2.gz ZGDDOPLPRXYLQT-XXNDZMALSA-N 0 3 274.408 2.146 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C(C)(C)CCC)C[C@]2(C)C1 ZINC001101348000 814251353 /nfs/dbraw/zinc/25/13/53/814251353.db2.gz UHWIOMUIWICUCT-PBHICJAKSA-N 0 3 276.424 2.226 20 30 CEEDHN CC[C@H](F)CN1C[C@@H](CNC(=O)C#CC(C)C)[C@H](C)C1 ZINC001101947864 814346813 /nfs/dbraw/zinc/34/68/13/814346813.db2.gz KYNSLEVOTKVSFK-KFWWJZLASA-N 0 3 282.403 2.078 20 30 CEEDHN CCCCC[C@@H](C(=O)NCCNCC#CCOC)C(C)C ZINC001147050059 814375265 /nfs/dbraw/zinc/37/52/65/814375265.db2.gz GFDPDLJUEDFILV-MRXNPFEDSA-N 0 3 296.455 2.195 20 30 CEEDHN C#CCNCCNC(=O)CC(C)(C)C1CCCCC1 ZINC001147822832 814502554 /nfs/dbraw/zinc/50/25/54/814502554.db2.gz BHZQHCSEZXVUBI-UHFFFAOYSA-N 0 3 264.413 2.322 20 30 CEEDHN C=CCCC1(C(=O)N2CC3(C2)CCN(CC#CC)C3)CC1 ZINC001148220622 814537698 /nfs/dbraw/zinc/53/76/98/814537698.db2.gz DTTNSOYXWZSMLN-UHFFFAOYSA-N 0 3 286.419 2.290 20 30 CEEDHN C=CCOc1ccc(C(=O)N2CC(C)(N(C)C)C2)cc1 ZINC001148466418 814565061 /nfs/dbraw/zinc/56/50/61/814565061.db2.gz QNIAYCHZFJCSLV-UHFFFAOYSA-N 0 3 274.364 2.028 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)CCC(C)(C)C)C2)C1 ZINC001148471755 814566941 /nfs/dbraw/zinc/56/69/41/814566941.db2.gz NWQCOGKFFUBYMT-UHFFFAOYSA-N 0 3 276.424 2.370 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)[C@H](C)CC)C2)C1 ZINC001148501224 814576156 /nfs/dbraw/zinc/57/61/56/814576156.db2.gz OFZJGZXSKOCABA-HUUCEWRRSA-N 0 3 276.424 2.226 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)OCCCC)C1 ZINC001111643195 814590972 /nfs/dbraw/zinc/59/09/72/814590972.db2.gz ZKYFWCBYCKEWBS-VYDXJSESSA-N 0 3 294.439 2.348 20 30 CEEDHN CCCCCCCCCCC(=O)NCCN[C@@H](C)C(N)=O ZINC001148751343 814612261 /nfs/dbraw/zinc/61/22/61/814612261.db2.gz FYZXNFMAQIXFJX-AWEZNQCLSA-N 0 3 299.459 2.097 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(CC=C)CCCC1 ZINC001115356944 814695541 /nfs/dbraw/zinc/69/55/41/814695541.db2.gz SWSMLAHPIAGVTF-FICVDOATSA-N 0 3 274.408 2.355 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc(C)cc2F)[C@H](C)C1 ZINC001092997081 814762155 /nfs/dbraw/zinc/76/21/55/814762155.db2.gz ZWORCIJTTRUGQD-ZIAGYGMSSA-N 0 3 288.366 2.065 20 30 CEEDHN C=C/C=C/CCNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000713499335 814859225 /nfs/dbraw/zinc/85/92/25/814859225.db2.gz JKWKIYRUTCRTNY-ONEGZZNKSA-N 0 3 290.388 2.054 20 30 CEEDHN C=CCO[C@@H]1CCN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC001116541608 814861559 /nfs/dbraw/zinc/86/15/59/814861559.db2.gz JYZORZGQYZOEQF-OAHLLOKOSA-N 0 3 284.363 2.044 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2coc3ccccc23)[C@H](C)C1 ZINC001093251917 814898791 /nfs/dbraw/zinc/89/87/91/814898791.db2.gz SJKBHGKELGYEHX-ZIAGYGMSSA-N 0 3 296.370 2.364 20 30 CEEDHN N#CCC1CCC(N2CCN(c3ncccn3)CC2)CC1 ZINC001173331361 815679272 /nfs/dbraw/zinc/67/92/72/815679272.db2.gz CNMDVPQIKIUYGJ-UHFFFAOYSA-N 0 3 285.395 2.071 20 30 CEEDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1C1CCC(CC#N)CC1 ZINC001173338812 815681785 /nfs/dbraw/zinc/68/17/85/815681785.db2.gz KJLNJFGSHMVFQE-FJGURNMVSA-N 0 3 276.380 2.485 20 30 CEEDHN CCCCN(CCC#N)[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173761967 815814586 /nfs/dbraw/zinc/81/45/86/815814586.db2.gz XNHXVIKCENDNKH-KGLIPLIRSA-N 0 3 276.388 2.173 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)c1[O-] ZINC001138625970 815845410 /nfs/dbraw/zinc/84/54/10/815845410.db2.gz YVBJEQOQOSLTQZ-LSDHHAIUSA-N 0 3 279.355 2.416 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c1[O-] ZINC001138625970 815845418 /nfs/dbraw/zinc/84/54/18/815845418.db2.gz YVBJEQOQOSLTQZ-LSDHHAIUSA-N 0 3 279.355 2.416 20 30 CEEDHN C=CCc1cccc(C[N@H+]2C[C@H](O)CC[C@H]2C)c1[O-] ZINC001138624332 815846532 /nfs/dbraw/zinc/84/65/32/815846532.db2.gz DNICKWFGGLICCD-IUODEOHRSA-N 0 3 261.365 2.466 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2C[C@H](O)CC[C@H]2C)c1[O-] ZINC001138624332 815846536 /nfs/dbraw/zinc/84/65/36/815846536.db2.gz DNICKWFGGLICCD-IUODEOHRSA-N 0 3 261.365 2.466 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CCCC[C@H](O)C2)c1[O-] ZINC001138625810 815847059 /nfs/dbraw/zinc/84/70/59/815847059.db2.gz TZCWMHZLDJBOLY-HNNXBMFYSA-N 0 3 261.365 2.468 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CCCC[C@H](O)C2)c1[O-] ZINC001138625810 815847067 /nfs/dbraw/zinc/84/70/67/815847067.db2.gz TZCWMHZLDJBOLY-HNNXBMFYSA-N 0 3 261.365 2.468 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1[O-] ZINC001138626350 815848842 /nfs/dbraw/zinc/84/88/42/815848842.db2.gz FTZLZWSSIRIBMH-GASCZTMLSA-N 0 3 259.349 2.199 20 30 CEEDHN C=CCc1cccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1[O-] ZINC001138626350 815848848 /nfs/dbraw/zinc/84/88/48/815848848.db2.gz FTZLZWSSIRIBMH-GASCZTMLSA-N 0 3 259.349 2.199 20 30 CEEDHN C=CCc1cccc(C[N@H+](C)CCC2OCCO2)c1[O-] ZINC001138627596 815849010 /nfs/dbraw/zinc/84/90/10/815849010.db2.gz BGHZOXTVWHCRGP-UHFFFAOYSA-N 0 3 277.364 2.316 20 30 CEEDHN C=CCc1cccc(C[N@@H+](C)CCC2OCCO2)c1[O-] ZINC001138627596 815849017 /nfs/dbraw/zinc/84/90/17/815849017.db2.gz BGHZOXTVWHCRGP-UHFFFAOYSA-N 0 3 277.364 2.316 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](O)C[C@H]2C)c1[O-] ZINC001138628323 815850010 /nfs/dbraw/zinc/85/00/10/815850010.db2.gz SEIURGYSBJDQEX-IUODEOHRSA-N 0 3 261.365 2.466 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)c1[O-] ZINC001138628323 815850019 /nfs/dbraw/zinc/85/00/19/815850019.db2.gz SEIURGYSBJDQEX-IUODEOHRSA-N 0 3 261.365 2.466 20 30 CEEDHN CN(C)Cc1ccccc1Nc1nnccc1C#N ZINC001173928968 815861527 /nfs/dbraw/zinc/86/15/27/815861527.db2.gz QSCDJDOGNDOXHY-UHFFFAOYSA-N 0 3 253.309 2.153 20 30 CEEDHN CN(C)Cc1ccccc1Nc1cnc(C#N)nc1 ZINC001173930378 815863600 /nfs/dbraw/zinc/86/36/00/815863600.db2.gz UXIQFLOJFQGYPK-UHFFFAOYSA-N 0 3 253.309 2.153 20 30 CEEDHN C=C(C)COc1ccccc1CN1C[C@H](C)[C@H](O)C1 ZINC001138661732 815864702 /nfs/dbraw/zinc/86/47/02/815864702.db2.gz FRVBPFWSYGAEDR-DZGCQCFKSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCN1CC=C(CCNC(=O)[C@@H](C)[C@@H]2CCCO2)CC1 ZINC001161184861 815994229 /nfs/dbraw/zinc/99/42/29/815994229.db2.gz LVVWTPZBAMFEBV-HOCLYGCPSA-N 0 3 292.423 2.126 20 30 CEEDHN Cc1cc(Nc2c(C#N)cnn2-c2ccccn2)ccn1 ZINC001174654178 816066622 /nfs/dbraw/zinc/06/66/22/816066622.db2.gz UPUQBJUMSJJEEW-UHFFFAOYSA-N 0 3 276.303 2.008 20 30 CEEDHN Cc1ccc(CN2CCCC3(COC3)C2)cc1C#N ZINC001139723819 816094878 /nfs/dbraw/zinc/09/48/78/816094878.db2.gz HZCQXONBTBYJKV-UHFFFAOYSA-N 0 3 256.349 2.479 20 30 CEEDHN Cc1ccc(CN2CCC3(CCCNC3=O)CC2)cc1C#N ZINC001139726223 816097689 /nfs/dbraw/zinc/09/76/89/816097689.db2.gz ASSKFPKZXFFPOM-UHFFFAOYSA-N 0 3 297.402 2.359 20 30 CEEDHN C#C[C@@H]1CCCN(CCN(C)C(=O)OC(C)(C)C)C1 ZINC001203000553 816189419 /nfs/dbraw/zinc/18/94/19/816189419.db2.gz DVWZISRDKMOZLV-CYBMUJFWSA-N 0 3 266.385 2.199 20 30 CEEDHN CC(=O)N(C)[C@@H]1CCN(Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140117078 816193777 /nfs/dbraw/zinc/19/37/77/816193777.db2.gz LLLPPLJMLQLBPS-OAHLLOKOSA-N 0 3 296.374 2.092 20 30 CEEDHN CN(CCc1ccncc1)Cc1ccc(C#N)nc1 ZINC001140542710 816282140 /nfs/dbraw/zinc/28/21/40/816282140.db2.gz FSJJFZQIQCZZHN-UHFFFAOYSA-N 0 3 252.321 2.023 20 30 CEEDHN Cn1ncc2cc(CNCc3cccc(C#N)c3)cnc21 ZINC001177217463 816531872 /nfs/dbraw/zinc/53/18/72/816531872.db2.gz XSXCTESNAYOJME-UHFFFAOYSA-N 0 3 277.331 2.130 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)CCCOC(C)C ZINC001177392670 816556409 /nfs/dbraw/zinc/55/64/09/816556409.db2.gz GDMPKPSLSWPZAX-UHFFFAOYSA-N 0 3 276.808 2.040 20 30 CEEDHN CN(CC(=O)NCCC#N)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000839171161 816565763 /nfs/dbraw/zinc/56/57/63/816565763.db2.gz ZTKAHZRBBKQBAJ-HZPDHXFCSA-N 0 3 285.391 2.284 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)CCc1cncc(F)c1 ZINC001177517320 816570861 /nfs/dbraw/zinc/57/08/61/816570861.db2.gz NBZAIHVYIPSGDO-UHFFFAOYSA-N 0 3 299.777 2.002 20 30 CEEDHN Cc1cnc(NC(=O)C(C#N)Cc2cccs2)nc1C ZINC001177904466 816640640 /nfs/dbraw/zinc/64/06/40/816640640.db2.gz LVHSGSCWARZAMN-NSHDSACASA-N 0 3 286.360 2.476 20 30 CEEDHN C=CCC1(C(=O)N2CCN[C@@H](C(C)C)C2)CCC1 ZINC000621158613 349516951 /nfs/dbraw/zinc/51/69/51/349516951.db2.gz TZTKCLVPUGGIAD-CYBMUJFWSA-N 0 3 250.386 2.189 20 30 CEEDHN CN1CCC(Nc2cccc(-n3cccn3)c2C#N)CC1 ZINC000567655779 299071078 /nfs/dbraw/zinc/07/10/78/299071078.db2.gz VWMSRGOKJYAJRB-UHFFFAOYSA-N 0 3 281.363 2.250 20 30 CEEDHN CCn1ccnc1[C@H]1CCCCN1C(=O)C(C)C#N ZINC000336550675 365633501 /nfs/dbraw/zinc/63/35/01/365633501.db2.gz KACXXYQZRFVJJW-VXGBXAGGSA-N 0 3 260.341 2.116 20 30 CEEDHN C[C@H]1CCC[C@H](C)N(CC(=O)N(CCC#N)CCC#N)C1 ZINC000125125234 365665915 /nfs/dbraw/zinc/66/59/15/365665915.db2.gz DNWSENKWEHGPQF-GJZGRUSLSA-N 0 3 290.411 2.153 20 30 CEEDHN N#CC(C(=O)c1cnn2c1CCCC2)c1ccccn1 ZINC000125605252 365680463 /nfs/dbraw/zinc/68/04/63/365680463.db2.gz NRVYSSXYFCMQRZ-NSHDSACASA-N 0 3 266.304 2.104 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2CCC)CC1 ZINC000080079382 343999490 /nfs/dbraw/zinc/99/94/90/343999490.db2.gz KAKWPBOBMCKHMI-GXTWGEPZSA-N 0 3 250.386 2.189 20 30 CEEDHN CC[C@@H](C)Oc1cc(CNC(=O)C(C)C#N)ccn1 ZINC000347884954 529381880 /nfs/dbraw/zinc/38/18/80/529381880.db2.gz BKLYNMZTVUSTFU-WDEREUQCSA-N 0 3 261.325 2.035 20 30 CEEDHN N#Cc1ccc(CNCCc2ccncc2)c(F)c1 ZINC000037871675 361957522 /nfs/dbraw/zinc/95/75/22/361957522.db2.gz HUXFOPOCSWEXNB-UHFFFAOYSA-N 0 3 255.296 2.425 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000337951499 214328725 /nfs/dbraw/zinc/32/87/25/214328725.db2.gz QMEFDUZNDDJNMD-LRDDRELGSA-N 0 3 285.391 2.279 20 30 CEEDHN C=CCN(CC=C)C(=O)c1cccc2c1CCNC2 ZINC000124108002 539181332 /nfs/dbraw/zinc/18/13/32/539181332.db2.gz FJXIFPOPLKQGIV-UHFFFAOYSA-N 0 3 256.349 2.147 20 30 CEEDHN C=CCOc1ccc(CN2CCC[C@@](CO)(OC)C2)cc1 ZINC000668497186 539184360 /nfs/dbraw/zinc/18/43/60/539184360.db2.gz VXTPSTRCIUCKHF-QGZVFWFLSA-N 0 3 291.391 2.225 20 30 CEEDHN COCC#CCN(C)CCCc1ccc(OC)cc1 ZINC000677133210 539189998 /nfs/dbraw/zinc/18/99/98/539189998.db2.gz MZTJCYWOEPVZKM-UHFFFAOYSA-N 0 3 261.365 2.209 20 30 CEEDHN CN(C)CCN(C)c1cc(C#N)nc2ccccc21 ZINC000080684846 344020207 /nfs/dbraw/zinc/02/02/07/344020207.db2.gz OWMCGIMBPMKGNE-UHFFFAOYSA-N 0 3 254.337 2.104 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)NCc1cc(C#N)ccc1F ZINC000080787761 344024701 /nfs/dbraw/zinc/02/47/01/344024701.db2.gz FKNAQZYEQRNZNT-HNNXBMFYSA-N 0 3 289.354 2.188 20 30 CEEDHN C=CCOCCNCc1cn(C)nc1C(C)(C)C ZINC000310788091 539279859 /nfs/dbraw/zinc/27/98/59/539279859.db2.gz UDWKJNVUJMOXKG-UHFFFAOYSA-N 0 3 251.374 2.010 20 30 CEEDHN CCO[C@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000042422311 362092981 /nfs/dbraw/zinc/09/29/81/362092981.db2.gz AVIPPCWEELKIFU-INIZCTEOSA-N 0 3 274.364 2.438 20 30 CEEDHN C[C@H]1CCN(C)CCN1Cc1ccc(C#N)cc1F ZINC000336613518 365719366 /nfs/dbraw/zinc/71/93/66/365719366.db2.gz BDWSQURMGSPDLP-LBPRGKRZSA-N 0 3 261.344 2.223 20 30 CEEDHN C[C@H]1c2ccsc2CCN1CCC(=O)N(C)CCC#N ZINC000042764628 362118763 /nfs/dbraw/zinc/11/87/63/362118763.db2.gz QMGQFYOLPQFLGW-LBPRGKRZSA-N 0 3 291.420 2.429 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(C)C)C(C)C ZINC000046049385 362173795 /nfs/dbraw/zinc/17/37/95/362173795.db2.gz DYGPWQNEZKUNTJ-AWEZNQCLSA-N 0 3 252.402 2.457 20 30 CEEDHN C#CCOc1ccccc1CN1[C@@H]2CC[C@H]1CC(O)C2 ZINC000126738763 187258653 /nfs/dbraw/zinc/25/86/53/187258653.db2.gz LPEKWRLYXQBPEX-XYPWUTKMSA-N 0 3 271.360 2.186 20 30 CEEDHN CN(CCCC(C)(C)C#N)[C@H]1CCCCN(C)C1=O ZINC000601970370 346946240 /nfs/dbraw/zinc/94/62/40/346946240.db2.gz OLAQPBXHGDZMQX-ZDUSSCGKSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@H]1Cc1ccc(OC)cc1 ZINC000052133390 343556753 /nfs/dbraw/zinc/55/67/53/343556753.db2.gz LOUGZLBFQHIMMW-HNNXBMFYSA-N 0 3 288.391 2.004 20 30 CEEDHN N#Cc1ccc(CN2C[C@@H]3COC[C@@H]3C2)c(Cl)c1 ZINC000601972923 346947076 /nfs/dbraw/zinc/94/70/76/346947076.db2.gz JPNRGPZIVZBYKB-BETUJISGSA-N 0 3 262.740 2.290 20 30 CEEDHN C#CCN(CC)C(=O)NCCCN1CCc2ccccc2C1 ZINC000056625679 343618683 /nfs/dbraw/zinc/61/86/83/343618683.db2.gz RTOFDBOBUNZUHH-UHFFFAOYSA-N 0 3 299.418 2.100 20 30 CEEDHN C=C[C@@H](C)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000128239609 365781009 /nfs/dbraw/zinc/78/10/09/365781009.db2.gz PUABLDHSHQEXKQ-ZIAGYGMSSA-N 0 3 275.396 2.381 20 30 CEEDHN C=C[C@@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000128256354 365782854 /nfs/dbraw/zinc/78/28/54/365782854.db2.gz TTZWXMQOPZWWTK-UKRRQHHQSA-N 0 3 275.396 2.471 20 30 CEEDHN C=CCN1CCC(NCc2cccc(F)c2C#N)CC1 ZINC000602001973 346954669 /nfs/dbraw/zinc/95/46/69/346954669.db2.gz ORIWESQDVHHHPZ-UHFFFAOYSA-N 0 3 273.355 2.437 20 30 CEEDHN CC[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930626 343704553 /nfs/dbraw/zinc/70/45/53/343704553.db2.gz KZQGRRQMSOURAL-AWEZNQCLSA-N 0 3 287.407 2.495 20 30 CEEDHN N#Cc1c(F)cccc1CN[C@@H]1CCC[C@@H](CO)C1 ZINC000602022110 346962540 /nfs/dbraw/zinc/96/25/40/346962540.db2.gz WNUMRJOSODQOML-DGCLKSJQSA-N 0 3 262.328 2.338 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000066321046 343710971 /nfs/dbraw/zinc/71/09/71/343710971.db2.gz HRYCDSUYFKMEAQ-RRFJBIMHSA-N 0 3 282.428 2.204 20 30 CEEDHN CC(C)[C@@H](NCC(=O)NCC#N)c1ccc(Cl)cc1 ZINC000066491869 343715424 /nfs/dbraw/zinc/71/54/24/343715424.db2.gz GCFBRIBPFCVPDB-CQSZACIVSA-N 0 3 279.771 2.266 20 30 CEEDHN COCCN1CCC[C@H]1CNc1cccc(F)c1C#N ZINC000068911126 343777141 /nfs/dbraw/zinc/77/71/41/343777141.db2.gz SMGJUQLLFULNQW-LBPRGKRZSA-N 0 3 277.343 2.220 20 30 CEEDHN COc1ccc(CNC[C@H](C)SC)cc1C#N ZINC000128079405 187350288 /nfs/dbraw/zinc/35/02/88/187350288.db2.gz VEUGVHDDUACPIT-JTQLQIEISA-N 0 3 250.367 2.408 20 30 CEEDHN CN(CC(=O)N[C@@H](C#N)C(C)(C)C)CC(C)(C)C ZINC000602120007 346977868 /nfs/dbraw/zinc/97/78/68/346977868.db2.gz WZSXCLRSBDDYCV-NSHDSACASA-N 0 3 253.390 2.019 20 30 CEEDHN CNC(=O)C[C@H](NCCC(C)(C)C#N)c1ccccc1 ZINC000347074111 529873469 /nfs/dbraw/zinc/87/34/69/529873469.db2.gz DFZNUIRFYNLZSX-AWEZNQCLSA-N 0 3 273.380 2.393 20 30 CEEDHN N#Cc1ccc(CN[C@@]2(CO)CCc3ccccc32)cc1 ZINC000305157971 201721640 /nfs/dbraw/zinc/72/16/40/201721640.db2.gz MOGPHUMQHCSLHK-GOSISDBHSA-N 0 3 278.355 2.482 20 30 CEEDHN CNC(=O)C[C@@H](NCCC(C)(C)C#N)c1ccccc1 ZINC000347074112 529870327 /nfs/dbraw/zinc/87/03/27/529870327.db2.gz DFZNUIRFYNLZSX-CQSZACIVSA-N 0 3 273.380 2.393 20 30 CEEDHN N#CC[C@H]1CCCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000602177009 346989165 /nfs/dbraw/zinc/98/91/65/346989165.db2.gz BPQHWVNYDYFGAT-HIFRSBDPSA-N 0 3 275.396 2.156 20 30 CEEDHN CC(C#N)C(=O)N1CCC(c2ccc(F)cn2)CC1 ZINC000602191987 346991443 /nfs/dbraw/zinc/99/14/43/346991443.db2.gz ZQXNNSJCCKPHGZ-SNVBAGLBSA-N 0 3 261.300 2.086 20 30 CEEDHN C#CCCN1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000273175337 192066887 /nfs/dbraw/zinc/06/68/87/192066887.db2.gz ABDCMXFFQQXAIH-UHFFFAOYSA-N 0 3 294.402 2.013 20 30 CEEDHN C=CCCCN(C)C(=O)NC1CCN(CCCOC)CC1 ZINC000076979852 343904065 /nfs/dbraw/zinc/90/40/65/343904065.db2.gz PYXKEYHCXODSKM-UHFFFAOYSA-N 0 3 297.443 2.095 20 30 CEEDHN CN(C)CCN(Cc1ccc(F)cc1)c1cnc(C#N)cn1 ZINC000127081311 187281261 /nfs/dbraw/zinc/28/12/61/187281261.db2.gz VTSKJCZIIHLTCO-UHFFFAOYSA-N 0 3 299.353 2.056 20 30 CEEDHN C[C@@H](O)C[C@H]1CCCN1Cc1cc(C#N)cs1 ZINC000093483204 344225384 /nfs/dbraw/zinc/22/53/84/344225384.db2.gz WQGHXENUGWUFLF-ZYHUDNBSSA-N 0 3 250.367 2.355 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CCCC(C)(C)CC1)C1CC1 ZINC000127128048 344328642 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345020700 /nfs/dbraw/zinc/02/07/00/345020700.db2.gz KQGOVHPKKSHBKA-MAUKXSAKSA-N 0 3 299.418 2.162 20 30 CEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)CCCCCC#N)C1 ZINC000588756556 345054227 /nfs/dbraw/zinc/05/42/27/345054227.db2.gz XXLLKJQFJCASNB-GJZGRUSLSA-N 0 3 277.412 2.403 20 30 CEEDHN C#CCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270520645 190709561 /nfs/dbraw/zinc/70/95/61/190709561.db2.gz CNPJGTYEIFUXBB-UHFFFAOYSA-N 0 3 274.320 2.461 20 30 CEEDHN Cc1ccc([C@@H](CNC(=O)CC2(C#N)CC2)N(C)C)cc1 ZINC000590187255 345120725 /nfs/dbraw/zinc/12/07/25/345120725.db2.gz UNVGQPNZGPXPBD-OAHLLOKOSA-N 0 3 285.391 2.408 20 30 CEEDHN C[C@]12CCN(Cc3ccnc(C#N)c3)C[C@H]1C2(F)F ZINC000589997982 345109428 /nfs/dbraw/zinc/10/94/28/345109428.db2.gz FMCHXQAASJXWKX-OLZOCXBDSA-N 0 3 263.291 2.430 20 30 CEEDHN N#C[C@@]1(F)CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000590743705 345173028 /nfs/dbraw/zinc/17/30/28/345173028.db2.gz YJSSUISJJNOUOD-ZBFHGGJFSA-N 0 3 293.386 2.248 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)CC2(C#N)CC2)CN1Cc1ccccc1 ZINC000590299045 345125809 /nfs/dbraw/zinc/12/58/09/345125809.db2.gz ZQVJEXAZRXDPJB-ZBFHGGJFSA-N 0 3 297.402 2.459 20 30 CEEDHN CC[C@@H]1CN(C)CCCN1C(=O)CCc1ccc(C#N)cc1 ZINC000590345017 345130653 /nfs/dbraw/zinc/13/06/53/345130653.db2.gz IDAYOAJVWOSSEI-QGZVFWFLSA-N 0 3 299.418 2.434 20 30 CEEDHN Cc1csc(NC(=O)NC2CCN(C)CC2)c1C#N ZINC000590605570 345151906 /nfs/dbraw/zinc/15/19/06/345151906.db2.gz LAGQSBJFNLOSFK-UHFFFAOYSA-N 0 3 278.381 2.144 20 30 CEEDHN CC(C)C[C@H](C#N)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000591163608 345226994 /nfs/dbraw/zinc/22/69/94/345226994.db2.gz KZBOEBSTXJDCDA-XDQVBPFNSA-N 0 3 265.401 2.302 20 30 CEEDHN CC(C)C[C@H](C#N)NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000591163600 345227134 /nfs/dbraw/zinc/22/71/34/345227134.db2.gz KZBOEBSTXJDCDA-RFQIPJPRSA-N 0 3 265.401 2.302 20 30 CEEDHN CC(C)NC(=O)[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000591257247 345235097 /nfs/dbraw/zinc/23/50/97/345235097.db2.gz 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NBXMQJMPCWKVBG-UHFFFAOYSA-N 0 3 287.407 2.101 20 30 CEEDHN COc1ccc(CN(C)CCN2CCCCC2)cc1C#N ZINC000593113020 345441800 /nfs/dbraw/zinc/44/18/00/345441800.db2.gz VNRAJXWOLVMIQC-UHFFFAOYSA-N 0 3 287.407 2.485 20 30 CEEDHN CCCN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CCN(C)C1 ZINC000592832206 345401933 /nfs/dbraw/zinc/40/19/33/345401933.db2.gz SZNRIPSVLZRZJQ-KRWDZBQOSA-N 0 3 299.418 2.434 20 30 CEEDHN CCOC(=O)[C@@H](CCC(C)(C)C)NC(=O)C(C#N)CC ZINC000593595715 345511008 /nfs/dbraw/zinc/51/10/08/345511008.db2.gz HZDSIGUJXOZVHF-VXGBXAGGSA-N 0 3 282.384 2.410 20 30 CEEDHN Cc1cc(N(C)CCN2CCCCC2)c(C#N)cn1 ZINC000593515983 345502045 /nfs/dbraw/zinc/50/20/45/345502045.db2.gz VRPHTEUDUTZYPD-UHFFFAOYSA-N 0 3 258.369 2.184 20 30 CEEDHN CCCCN(C)CCNC(=O)NCC1(C#N)CCCC1 ZINC000593342336 345468995 /nfs/dbraw/zinc/46/89/95/345468995.db2.gz VHLOLEWKUPGWJH-UHFFFAOYSA-N 0 3 280.416 2.101 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)N2Cc3cccc(C#N)c3C2)CCN1C ZINC000593358182 345470216 /nfs/dbraw/zinc/47/02/16/345470216.db2.gz HVPIUXGLIJZILA-DOMZBBRYSA-N 0 3 298.390 2.066 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)c1cccc(CC#N)c1 ZINC000593884630 345548508 /nfs/dbraw/zinc/54/85/08/345548508.db2.gz UOODJGSQVLOVLX-UHFFFAOYSA-N 0 3 285.391 2.311 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCCN(CC(C)C)CC1 ZINC000363443284 260260816 /nfs/dbraw/zinc/26/08/16/260260816.db2.gz ZHLNZXYEGUVKLT-OAHLLOKOSA-N 0 3 282.428 2.158 20 30 CEEDHN CN(C)CCOc1cc(NC(=O)CCCCC#N)ccn1 ZINC000593997949 345563365 /nfs/dbraw/zinc/56/33/65/345563365.db2.gz FPYLSKABUAAAME-UHFFFAOYSA-N 0 3 290.367 2.044 20 30 CEEDHN CSC[C@H](O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033082 345569923 /nfs/dbraw/zinc/56/99/23/345569923.db2.gz HEKKIGUTWMGPKQ-CQSZACIVSA-N 0 3 276.405 2.251 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1ncccc1OC(F)F ZINC000594467819 345636570 /nfs/dbraw/zinc/63/65/70/345636570.db2.gz HFVPFZPJWXSOCY-VIFPVBQESA-N 0 3 298.293 2.033 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594195217 345596716 /nfs/dbraw/zinc/59/67/16/345596716.db2.gz DKWCSWHVBOCBFS-VNHYZAJKSA-N 0 3 263.385 2.059 20 30 CEEDHN N#CC1(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCCC1 ZINC000594197224 345596959 /nfs/dbraw/zinc/59/69/59/345596959.db2.gz BCNRSXACBLRWHT-ZIAGYGMSSA-N 0 3 275.396 2.203 20 30 CEEDHN CCN1CCC(NC(=O)N2Cc3ccc(C#N)cc3C2)CC1 ZINC000594218014 345599171 /nfs/dbraw/zinc/59/91/71/345599171.db2.gz XTCKSWAASZDGGR-UHFFFAOYSA-N 0 3 298.390 2.068 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000594271010 345607401 /nfs/dbraw/zinc/60/74/01/345607401.db2.gz JCDCRWRSPNEPOK-YOEHRIQHSA-N 0 3 299.418 2.289 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC000594371408 345618252 /nfs/dbraw/zinc/61/82/52/345618252.db2.gz IEPAQPCOCHDWAV-UONOGXRCSA-N 0 3 285.391 2.419 20 30 CEEDHN CC1CC(C#N)(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000594419757 345624677 /nfs/dbraw/zinc/62/46/77/345624677.db2.gz RCWUHRGFRVJHIZ-MYMJJRTCSA-N 0 3 275.396 2.059 20 30 CEEDHN COc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1OC ZINC000594426983 345626723 /nfs/dbraw/zinc/62/67/23/345626723.db2.gz SAKGYXJAHBQXDU-LBPRGKRZSA-N 0 3 291.351 2.054 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(F)c1F ZINC000594428878 345627403 /nfs/dbraw/zinc/62/74/03/345627403.db2.gz ODVKZDVQJKDQNY-JTQLQIEISA-N 0 3 267.279 2.315 20 30 CEEDHN C[C@@H]1CCC[C@H](NC(=O)[C@@H](N)CCCCC#N)[C@@H]1C ZINC000594428139 345627408 /nfs/dbraw/zinc/62/74/08/345627408.db2.gz ZSDLEUZUGIIAIR-MQYQWHSLSA-N 0 3 265.401 2.339 20 30 CEEDHN COCc1ccccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594429127 345627983 /nfs/dbraw/zinc/62/79/83/345627983.db2.gz QZCMMVWYTGQRND-ZDUSSCGKSA-N 0 3 275.352 2.183 20 30 CEEDHN C[C@H](Cc1ccccc1F)NC(=O)[C@H](N)CCCCC#N ZINC000594429425 345628114 /nfs/dbraw/zinc/62/81/14/345628114.db2.gz UBPHUYZIBSHTSD-IUODEOHRSA-N 0 3 291.370 2.284 20 30 CEEDHN COc1cc(F)c(NC(=O)[C@@H](N)CCCCC#N)cc1F ZINC000594432588 345628442 /nfs/dbraw/zinc/62/84/42/345628442.db2.gz DLOULBOLIDBJLO-NSHDSACASA-N 0 3 297.305 2.323 20 30 CEEDHN C[C@H](CNC(=O)[C@H](N)CCCCC#N)Cc1cccs1 ZINC000594433906 345629234 /nfs/dbraw/zinc/62/92/34/345629234.db2.gz URBMWAYEOGYTLR-GXTWGEPZSA-N 0 3 293.436 2.454 20 30 CEEDHN CC1(C)CCCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594434408 345630044 /nfs/dbraw/zinc/63/00/44/345630044.db2.gz ZBPJFSNQAQQXQU-CYBMUJFWSA-N 0 3 265.401 2.436 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000594438427 345630372 /nfs/dbraw/zinc/63/03/72/345630372.db2.gz USRMLMVBRDPIFD-MRXNPFEDSA-N 0 3 297.402 2.472 20 30 CEEDHN CC1(C)CCCC[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594444045 345631873 /nfs/dbraw/zinc/63/18/73/345631873.db2.gz JQYSGVYUUQFTTP-CHWSQXEVSA-N 0 3 265.401 2.483 20 30 CEEDHN CC[C@@H]1CCC[C@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594443439 345632075 /nfs/dbraw/zinc/63/20/75/345632075.db2.gz HNOIGYLSEZQLCE-RDBSUJKOSA-N 0 3 265.401 2.483 20 30 CEEDHN CC[C@H](NC(=O)[C@H](N)CCCCC#N)c1c(C)noc1C ZINC000594442729 345632081 /nfs/dbraw/zinc/63/20/81/345632081.db2.gz INMMJJNHFJTOTO-OLZOCXBDSA-N 0 3 292.383 2.270 20 30 CEEDHN C[C@@H]1CC[C@@]2(CCN(C(=O)[C@@H](N)CCCCC#N)C2)C1 ZINC000594443567 345632085 /nfs/dbraw/zinc/63/20/85/345632085.db2.gz ROFUYAFEFLXYKL-IJEWVQPXSA-N 0 3 277.412 2.436 20 30 CEEDHN CC(C)[C@H]1CCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594445067 345632611 /nfs/dbraw/zinc/63/26/11/345632611.db2.gz OQPGHROEGFKHIF-ZIAGYGMSSA-N 0 3 265.401 2.435 20 30 CEEDHN Cc1ccc(N[C@H]2CCCN3CCCC[C@H]23)nc1C#N ZINC000594600525 345657035 /nfs/dbraw/zinc/65/70/35/345657035.db2.gz LXKDECCYNRNKSR-DZGCQCFKSA-N 0 3 270.380 2.112 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(C(=O)OC)oc1C ZINC000594605734 345658792 /nfs/dbraw/zinc/65/87/92/345658792.db2.gz BVZDXYJCVFYJNS-IUODEOHRSA-N 0 3 293.363 2.445 20 30 CEEDHN CN(C)C(=O)CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594502684 345639676 /nfs/dbraw/zinc/63/96/76/345639676.db2.gz NJBPOQYSQUGELO-UHFFFAOYSA-N 0 3 273.380 2.056 20 30 CEEDHN C[C@H](CNCc1cc(C#N)cs1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594509609 345640218 /nfs/dbraw/zinc/64/02/18/345640218.db2.gz GIHUZOABLMKNRQ-UPJWGTAASA-N 0 3 293.436 2.207 20 30 CEEDHN CO[C@H](CN[C@@H](C)c1cccc(C#N)c1)[C@H]1CCOC1 ZINC000594711101 345676366 /nfs/dbraw/zinc/67/63/66/345676366.db2.gz NFOACHOOZZPDSQ-VBNZEHGJSA-N 0 3 274.364 2.260 20 30 CEEDHN N#Cc1ccc([C@H](NC[C@@H]2CCC[C@H]3C[C@H]32)C(N)=O)cc1 ZINC000594729933 345680594 /nfs/dbraw/zinc/68/05/94/345680594.db2.gz PYVOMYHKDZUJBS-JONQDZQNSA-N 0 3 283.375 2.110 20 30 CEEDHN C[C@@]1(CCN[C@H](C(N)=O)c2ccc(C#N)cc2)CC1(F)F ZINC000594733124 345681129 /nfs/dbraw/zinc/68/11/29/345681129.db2.gz YERWSGUCKZNZFJ-GXTWGEPZSA-N 0 3 293.317 2.110 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCc1ccc2occc2c1 ZINC000595256598 345749502 /nfs/dbraw/zinc/74/95/02/345749502.db2.gz NVHIBHCBJCNVMB-ZDUSSCGKSA-N 0 3 271.320 2.070 20 30 CEEDHN C=CCCSCCNC(=O)[C@H]1NCCCC1(C)C ZINC000595257283 345749593 /nfs/dbraw/zinc/74/95/93/345749593.db2.gz SNCSNLLOQFZCRC-GFCCVEGCSA-N 0 3 270.442 2.190 20 30 CEEDHN CS[C@@H](CO)[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594923181 345703744 /nfs/dbraw/zinc/70/37/44/345703744.db2.gz SXNCELPPQLINFR-WFASDCNBSA-N 0 3 290.432 2.444 20 30 CEEDHN CC[C@H]1C[C@@H](NCc2ccc(C#N)c(OC)c2)CO1 ZINC000594940422 345710645 /nfs/dbraw/zinc/71/06/45/345710645.db2.gz CCEMLHQMTSNOFQ-KGLIPLIRSA-N 0 3 260.337 2.224 20 30 CEEDHN COC(=O)[C@@H]1C[C@H]1[C@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000594940155 345710946 /nfs/dbraw/zinc/71/09/46/345710946.db2.gz IPDMVBVGWZDLPM-TVYUQYBPSA-N 0 3 292.766 2.499 20 30 CEEDHN COCC[C@H](COC)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594940355 345710999 /nfs/dbraw/zinc/71/09/99/345710999.db2.gz AFRWGHPGTPWQQD-MRXNPFEDSA-N 0 3 288.391 2.383 20 30 CEEDHN C[C@@H](C[S@](C)=O)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594943803 345712240 /nfs/dbraw/zinc/71/22/40/345712240.db2.gz QDKAUOQNWCEXFJ-BUXKBTBVSA-N 0 3 276.405 2.098 20 30 CEEDHN N#Cc1ccc(CCN2CCC(N3CCCC3=O)CC2)cc1 ZINC000595300505 345757709 /nfs/dbraw/zinc/75/77/09/345757709.db2.gz SLOMPOBWASRCNY-UHFFFAOYSA-N 0 3 297.402 2.188 20 30 CEEDHN Cc1cc(CNCCO[C@H]2CC2(F)F)ccc1C#N ZINC000594971645 345719670 /nfs/dbraw/zinc/71/96/70/345719670.db2.gz OCNJMHGSSVARCI-ZDUSSCGKSA-N 0 3 266.291 2.381 20 30 CEEDHN N#Cc1csc(CNC[C@H](CO)CC2CC2)c1 ZINC000594985215 345721931 /nfs/dbraw/zinc/72/19/31/345721931.db2.gz ZHZISOPTXJLECD-GFCCVEGCSA-N 0 3 250.367 2.118 20 30 CEEDHN C[C@H](NCCc1ccc(C#N)cc1)c1ccn(C)n1 ZINC000595055944 345735947 /nfs/dbraw/zinc/73/59/47/345735947.db2.gz MYFANGFREWGWMA-LBPRGKRZSA-N 0 3 254.337 2.185 20 30 CEEDHN CC[C@@H](CC(F)F)CN1CCN(CCC#N)CC1 ZINC000595393419 345773628 /nfs/dbraw/zinc/77/36/28/345773628.db2.gz ZYQGDVPFIXOVNX-LBPRGKRZSA-N 0 3 259.344 2.199 20 30 CEEDHN C[C@H](CNC(=O)N1CC[C@](C)(C#N)C1)N1CCCC[C@H]1C ZINC000595450015 345785463 /nfs/dbraw/zinc/78/54/63/345785463.db2.gz SREJDDPRFAJYJX-IIAWOOMASA-N 0 3 292.427 2.194 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)N2CCC[C@@H](CC#N)C2)C1 ZINC000595454458 345786848 /nfs/dbraw/zinc/78/68/48/345786848.db2.gz LGOLGZXDESHMHN-CABCVRRESA-N 0 3 292.427 2.054 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595598745 345821938 /nfs/dbraw/zinc/82/19/38/345821938.db2.gz VORXQRRCNJXRKK-BBRMVZONSA-N 0 3 292.427 2.052 20 30 CEEDHN CC(C)(CO)[C@H](NCCCSCC#N)c1cccnc1 ZINC000595501077 345796386 /nfs/dbraw/zinc/79/63/86/345796386.db2.gz RUSMWENYLFMYRM-CQSZACIVSA-N 0 3 293.436 2.378 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595739780 345863096 /nfs/dbraw/zinc/86/30/96/345863096.db2.gz JWFJJAZDLKWBCU-DAXOMENPSA-N 0 3 283.375 2.220 20 30 CEEDHN COCCOCCNC(C)(C)c1cccc(C#N)c1 ZINC000595639538 345834230 /nfs/dbraw/zinc/83/42/30/345834230.db2.gz MAXKCWFZJQUCCF-UHFFFAOYSA-N 0 3 262.353 2.046 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H]3COC[C@@H]3C2)cc1F ZINC000595830914 345889370 /nfs/dbraw/zinc/88/93/70/345889370.db2.gz MYQUHYXFIWLUGK-KBPBESRZSA-N 0 3 260.312 2.166 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](C2CCC2)C1 ZINC000595833789 345890765 /nfs/dbraw/zinc/89/07/65/345890765.db2.gz NBJCNEAMGWTXHN-DZGCQCFKSA-N 0 3 289.423 2.449 20 30 CEEDHN CC(CN1CC[C@@](C)(C#N)C1)CN1CC[C@@](C)(C#N)C1 ZINC000595840878 345895748 /nfs/dbraw/zinc/89/57/48/345895748.db2.gz QMYYQHTYFGTNCE-HOTGVXAUSA-N 0 3 274.412 2.094 20 30 CEEDHN Cn1cc(C[C@@H]2CCC[C@@H]2NCC2(C#N)CC2)cn1 ZINC000595768725 345871915 /nfs/dbraw/zinc/87/19/15/345871915.db2.gz GQUVIILWPXDRQL-KBPBESRZSA-N 0 3 258.369 2.025 20 30 CEEDHN N#Cc1ccc(F)c(CN[C@H]2C[C@H](O)C23CCC3)c1 ZINC000595778107 345874628 /nfs/dbraw/zinc/87/46/28/345874628.db2.gz PBVRGPGFHJHAPJ-KBPBESRZSA-N 0 3 260.312 2.090 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@H]1CCCC12CC2 ZINC000602581827 347088079 /nfs/dbraw/zinc/08/80/79/347088079.db2.gz KARWJWULYUTNAS-CHWSQXEVSA-N 0 3 263.385 2.094 20 30 CEEDHN C=CCNC(=O)NC(=O)CN(C)CCCC(CC)CC ZINC000595826566 345886515 /nfs/dbraw/zinc/88/65/15/345886515.db2.gz ANYRRUCGCDSKJM-UHFFFAOYSA-N 0 3 283.416 2.146 20 30 CEEDHN N#Cc1cnnc(NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000596053069 345928982 /nfs/dbraw/zinc/92/89/82/345928982.db2.gz LLVUOSDTNNUFQF-INIZCTEOSA-N 0 3 293.374 2.019 20 30 CEEDHN C[C@@H]1NCCN(C(=O)CC2(C#N)CCCCC2)[C@H]1C ZINC000595948757 345917516 /nfs/dbraw/zinc/91/75/16/345917516.db2.gz AYISYKREMTXWKM-STQMWFEESA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@H](C(=O)N1CC[C@](C)(C#N)C1)[C@@H](N)c1ccccc1 ZINC000595982016 345920578 /nfs/dbraw/zinc/92/05/78/345920578.db2.gz RDVVNQKYNQVAJK-JGGQBBKZSA-N 0 3 271.364 2.085 20 30 CEEDHN CCc1nc(C#N)cc(NC[C@H](C)N2CCCC[C@@H]2C)n1 ZINC000596073683 345933378 /nfs/dbraw/zinc/93/33/78/345933378.db2.gz LOFOKELZIPFOIG-STQMWFEESA-N 0 3 287.411 2.007 20 30 CEEDHN CC(C)N(CCN(C)C)c1nc2ncccc2cc1C#N ZINC000596219053 345972680 /nfs/dbraw/zinc/97/26/80/345972680.db2.gz PENPXXPKGCVOME-UHFFFAOYSA-N 0 3 283.379 2.278 20 30 CEEDHN CCCN(CCN1CCCC1)c1cc(C#N)nc(CC)n1 ZINC000596232704 345975645 /nfs/dbraw/zinc/97/56/45/345975645.db2.gz SHTFWVIHYYLNEP-UHFFFAOYSA-N 0 3 287.411 2.223 20 30 CEEDHN CN(CC1CN(C)C1)c1cc(C#N)nc2ccccc21 ZINC000596454764 346027989 /nfs/dbraw/zinc/02/79/89/346027989.db2.gz UNWOEOLXIZGBDA-UHFFFAOYSA-N 0 3 266.348 2.104 20 30 CEEDHN C=CCCSCCNC(=O)N[C@@H](CC)CN1CCCC1 ZINC000596479206 346033628 /nfs/dbraw/zinc/03/36/28/346033628.db2.gz MOVDHMPZJKTVOU-AWEZNQCLSA-N 0 3 299.484 2.469 20 30 CEEDHN CCN(C(=O)Nc1ccc(CC#N)cc1)[C@H]1CCN(C)C1 ZINC000596658462 346074124 /nfs/dbraw/zinc/07/41/24/346074124.db2.gz IYZOEQCJHSCMPQ-HNNXBMFYSA-N 0 3 286.379 2.311 20 30 CEEDHN C=CCCSCCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000596721720 346080601 /nfs/dbraw/zinc/08/06/01/346080601.db2.gz MYCKJKOVYCPEPG-KGLIPLIRSA-N 0 3 297.468 2.174 20 30 CEEDHN C[C@@H](CC#N)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000596789110 346090560 /nfs/dbraw/zinc/09/05/60/346090560.db2.gz DKYRZQITATVMDG-HNNXBMFYSA-N 0 3 299.418 2.359 20 30 CEEDHN CCN(C(=O)Nc1scc(C)c1C#N)[C@@H]1CCN(C)C1 ZINC000596902101 346103977 /nfs/dbraw/zinc/10/39/77/346103977.db2.gz AUYSOMGTUTUIES-LLVKDONJSA-N 0 3 292.408 2.486 20 30 CEEDHN COC(=O)[C@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596981997 346111843 /nfs/dbraw/zinc/11/18/43/346111843.db2.gz UNRFWSHCHNGXKP-AWEZNQCLSA-N 0 3 284.359 2.237 20 30 CEEDHN COC(=O)c1ccc(CNCCc2ccc(C#N)cc2)o1 ZINC000597180241 346142541 /nfs/dbraw/zinc/14/25/41/346142541.db2.gz YRMOJXWJSILJJM-UHFFFAOYSA-N 0 3 284.315 2.270 20 30 CEEDHN C=CCN1CCC(NCc2cc(C)c(C(=O)OC)o2)CC1 ZINC000597054391 346121381 /nfs/dbraw/zinc/12/13/81/346121381.db2.gz SUUDOOIJHRIWCJ-UHFFFAOYSA-N 0 3 292.379 2.115 20 30 CEEDHN C=CCSCCNCc1cc(C)c(C(=O)OC)o1 ZINC000597055848 346121424 /nfs/dbraw/zinc/12/14/24/346121424.db2.gz QDZRVKKVFRLJFG-UHFFFAOYSA-N 0 3 269.366 2.383 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(C(=O)OC)c(Cl)c1 ZINC000597082139 346125401 /nfs/dbraw/zinc/12/54/01/346125401.db2.gz BNNKNCBSLAKESW-LLVKDONJSA-N 0 3 283.755 2.153 20 30 CEEDHN COCCCN(CCO)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597112053 346129702 /nfs/dbraw/zinc/12/97/02/346129702.db2.gz XGJMUXNWKSLMLA-UHFFFAOYSA-N 0 3 288.391 2.073 20 30 CEEDHN C=CCCSCCNCc1ccc2c(c1)NC(=O)CO2 ZINC000597184279 346143700 /nfs/dbraw/zinc/14/37/00/346143700.db2.gz IPZDSVUBBQKESJ-UHFFFAOYSA-N 0 3 292.404 2.416 20 30 CEEDHN COc1cc(CN2C[C@@H](C)[C@@](C)(CO)C2)ccc1C#N ZINC000597236531 346158202 /nfs/dbraw/zinc/15/82/02/346158202.db2.gz RROVLHVWZUVMTR-MLGOLLRUSA-N 0 3 274.364 2.017 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000597372276 346177863 /nfs/dbraw/zinc/17/78/63/346177863.db2.gz QOBYEOYMMHCBTC-IIAWOOMASA-N 0 3 285.391 2.315 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC2(C1)CCOCC2 ZINC000597484013 346192295 /nfs/dbraw/zinc/19/22/95/346192295.db2.gz HHDGTIMPAQVKRK-MRXNPFEDSA-N 0 3 298.386 2.398 20 30 CEEDHN CN1CC[C@]2(C1)CCCN(C(=O)c1sccc1C#N)C2 ZINC000597712954 346219934 /nfs/dbraw/zinc/21/99/34/346219934.db2.gz AOSMTPSXQZZIDP-HNNXBMFYSA-N 0 3 289.404 2.178 20 30 CEEDHN CC[C@H](C(=O)NCCc1ccc(C#N)cc1)N(CC)CC ZINC000597891941 346246462 /nfs/dbraw/zinc/24/64/62/346246462.db2.gz QTPLYDHQPFVAFG-MRXNPFEDSA-N 0 3 287.407 2.337 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)N1CCC[C@H](CC#N)C1 ZINC000597911673 346251800 /nfs/dbraw/zinc/25/18/00/346251800.db2.gz OKEXRXWIJZYCKI-KGLIPLIRSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@@H](C(=O)N1CCC[C@H](CC#N)C1)N1CCCCCC1 ZINC000597914432 346252238 /nfs/dbraw/zinc/25/22/38/346252238.db2.gz VZNDVIQJJBEOFR-LSDHHAIUSA-N 0 3 277.412 2.403 20 30 CEEDHN CN(C)[C@@H](CC(=O)N1CC(CC#N)C1)c1ccccc1 ZINC000598022289 346268475 /nfs/dbraw/zinc/26/84/75/346268475.db2.gz CPIRPLQFMKEQNN-HNNXBMFYSA-N 0 3 271.364 2.051 20 30 CEEDHN C[C@@H](C#N)N(C(=O)c1ccc(CN(C)C)cc1)C1CC1 ZINC000598130445 346295578 /nfs/dbraw/zinc/29/55/78/346295578.db2.gz RMWSJXFYWNZGLM-LBPRGKRZSA-N 0 3 271.364 2.265 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Nc1ccc(C#N)cc1 ZINC000085354943 179029787 /nfs/dbraw/zinc/02/97/87/179029787.db2.gz XZVYUGVKFDDRJT-WFASDCNBSA-N 0 3 286.379 2.362 20 30 CEEDHN CCCN1CC[C@H](NC(=O)c2ccc(C#N)cc2C)C1 ZINC000598341611 346332206 /nfs/dbraw/zinc/33/22/06/346332206.db2.gz DQWSKOFOXZNKSO-AWEZNQCLSA-N 0 3 271.364 2.081 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cscc1C#N ZINC000598260744 346315967 /nfs/dbraw/zinc/31/59/67/346315967.db2.gz MOTHYCLGJZXALV-GFCCVEGCSA-N 0 3 291.420 2.470 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000598397799 346345556 /nfs/dbraw/zinc/34/55/56/346345556.db2.gz JMCUJQCFYITBQX-XVKPBYJWSA-N 0 3 287.146 2.303 20 30 CEEDHN Cc1cc([C@@H]2CCCN2C[C@@H](O)CC(C)(C)C#N)on1 ZINC000598586004 346377440 /nfs/dbraw/zinc/37/74/40/346377440.db2.gz NAFLFLZOZTZAMI-STQMWFEESA-N 0 3 277.368 2.421 20 30 CEEDHN CC(C)CO[C@@H]1CCN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598591764 346379762 /nfs/dbraw/zinc/37/97/62/346379762.db2.gz BIFAEMCXRODLQX-UONOGXRCSA-N 0 3 268.401 2.034 20 30 CEEDHN C[C@@H](c1cccnc1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598598932 346381399 /nfs/dbraw/zinc/38/13/99/346381399.db2.gz JWGKVQHUSDQMKZ-JSGCOSHPSA-N 0 3 261.369 2.375 20 30 CEEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc(O)c1 ZINC000598600824 346381953 /nfs/dbraw/zinc/38/19/53/346381953.db2.gz KJLOVDCEGISPFQ-RISCZKNCSA-N 0 3 262.353 2.344 20 30 CEEDHN C[C@@H](c1ccncc1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598599848 346382042 /nfs/dbraw/zinc/38/20/42/346382042.db2.gz QSGZXEVTJPTPFJ-JSGCOSHPSA-N 0 3 261.369 2.375 20 30 CEEDHN CC(C)n1cc([C@H](C)NC[C@H](O)CC(C)(C)C#N)cn1 ZINC000598605163 346382558 /nfs/dbraw/zinc/38/25/58/346382558.db2.gz AOTRNTPAGCNFJA-GXTWGEPZSA-N 0 3 278.400 2.415 20 30 CEEDHN CC[C@H](NC[C@H](O)CC(C)(C)C#N)c1c(C)nn(C)c1C ZINC000598612950 346384037 /nfs/dbraw/zinc/38/40/37/346384037.db2.gz SSNDSDLUCCOQPC-KGLIPLIRSA-N 0 3 292.427 2.378 20 30 CEEDHN C[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)CC2(CCCC2)O1 ZINC000598626692 346387600 /nfs/dbraw/zinc/38/76/00/346387600.db2.gz ZKVVEBJGLVYVCF-KGLIPLIRSA-N 0 3 280.412 2.321 20 30 CEEDHN COc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598704435 346404410 /nfs/dbraw/zinc/40/44/10/346404410.db2.gz PDZCEMBVYZMBDC-ZDUSSCGKSA-N 0 3 262.353 2.086 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(F)cc1F ZINC000598715475 346406636 /nfs/dbraw/zinc/40/66/36/346406636.db2.gz RHVDDGCKFUCUNI-GFCCVEGCSA-N 0 3 268.307 2.355 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CC[C@H](C)[C@@H](CO)C1 ZINC000598647937 346392415 /nfs/dbraw/zinc/39/24/15/346392415.db2.gz QJGQCQNFSVGRDP-BLLLJJGKSA-N 0 3 258.365 2.317 20 30 CEEDHN Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(C#N)c(C)c2)n1 ZINC000599019793 346447719 /nfs/dbraw/zinc/44/77/19/346447719.db2.gz HJDFXIHDXUOCOS-LSDHHAIUSA-N 0 3 298.346 2.178 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H](O)[C@@H]1CCCO1 ZINC000599066038 346454914 /nfs/dbraw/zinc/45/49/14/346454914.db2.gz OARJUWBTGUOFSD-BBWFWOEESA-N 0 3 286.375 2.065 20 30 CEEDHN Cc1noc([C@H]2OCC[C@H]2N[C@@H](C)c2cccc(C#N)c2)n1 ZINC000599092784 346459104 /nfs/dbraw/zinc/45/91/04/346459104.db2.gz MYGCSRQHSOYBLI-VQISRLSMSA-N 0 3 298.346 2.431 20 30 CEEDHN CC1(C)C[C@H](NCc2cccc(C#N)n2)C(C)(C)O1 ZINC000602599115 347094940 /nfs/dbraw/zinc/09/49/40/347094940.db2.gz DEWINICVUHNYFD-ZDUSSCGKSA-N 0 3 259.353 2.389 20 30 CEEDHN COc1cc(C)cc(NC(=O)[C@@H](N)CCCC#N)c1C ZINC000602600099 347094610 /nfs/dbraw/zinc/09/46/10/347094610.db2.gz FMHSUKIAAJMBBC-LBPRGKRZSA-N 0 3 275.352 2.272 20 30 CEEDHN N#Cc1ccc(C(F)(F)F)c(NCCN2CC[C@@H](O)C2)c1 ZINC000599175706 346473083 /nfs/dbraw/zinc/47/30/83/346473083.db2.gz ITERMXIWJOQACM-LLVKDONJSA-N 0 3 299.296 2.056 20 30 CEEDHN N#Cc1ccc(NCCN2CC[C@H](O)C2)cc1C(F)(F)F ZINC000599199619 346478680 /nfs/dbraw/zinc/47/86/80/346478680.db2.gz NKDGBWDNEOGEDL-LBPRGKRZSA-N 0 3 299.296 2.056 20 30 CEEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1cccc(O)c1 ZINC000599349690 346504295 /nfs/dbraw/zinc/50/42/95/346504295.db2.gz QHIWKJZXIMWQIZ-SMDDNHRTSA-N 0 3 260.337 2.098 20 30 CEEDHN C=C[C@H]1CCCCN1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599395164 346513318 /nfs/dbraw/zinc/51/33/18/346513318.db2.gz BDPMTCUYADKCSO-LSDHHAIUSA-N 0 3 278.396 2.098 20 30 CEEDHN Cc1ccc(CN2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1C#N ZINC000599415432 346515691 /nfs/dbraw/zinc/51/56/91/346515691.db2.gz OQUKNOSQLATADZ-YJBOKZPZSA-N 0 3 299.418 2.162 20 30 CEEDHN Cc1ccoc1CN(C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599425491 346516563 /nfs/dbraw/zinc/51/65/63/346516563.db2.gz JVJIESJNDAZRBZ-CQSZACIVSA-N 0 3 292.379 2.091 20 30 CEEDHN Cc1ccc(CN2C[C@@H](C)N(C)[C@@H](C)C2)cc1C#N ZINC000599429599 346517975 /nfs/dbraw/zinc/51/79/75/346517975.db2.gz XFUBORBNVDUGDP-OKILXGFUSA-N 0 3 257.381 2.391 20 30 CEEDHN Cc1ccc(CN2C[C@H](C)C[C@@H](CO)C2)cc1C#N ZINC000599440034 346521048 /nfs/dbraw/zinc/52/10/48/346521048.db2.gz CWYAHWXDXLMHHW-IUODEOHRSA-N 0 3 258.365 2.317 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)CC1(O)CCC1 ZINC000599440719 346521607 /nfs/dbraw/zinc/52/16/07/346521607.db2.gz ZJWWSMYFKJHRIE-XJKSGUPXSA-N 0 3 288.391 2.217 20 30 CEEDHN COC(=O)[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599280908 346490281 /nfs/dbraw/zinc/49/02/81/346490281.db2.gz CSGNKOWVPIBZHS-AWEZNQCLSA-N 0 3 272.348 2.252 20 30 CEEDHN Cc1ccc(CN[C@H]2C[C@@H](O)C23CCC3)cc1C#N ZINC000599466529 346524983 /nfs/dbraw/zinc/52/49/83/346524983.db2.gz BOKBXNSXKRSCEL-LSDHHAIUSA-N 0 3 256.349 2.260 20 30 CEEDHN Cc1ccc(CN2CC[C@H](C)[C@@H](CO)C2)cc1C#N ZINC000599491006 346528573 /nfs/dbraw/zinc/52/85/73/346528573.db2.gz PHTAVLIRMBOFKQ-XJKSGUPXSA-N 0 3 258.365 2.317 20 30 CEEDHN C=CCCOCC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000599630735 346549144 /nfs/dbraw/zinc/54/91/44/346549144.db2.gz BVHGDSPCXVHPHY-HNNXBMFYSA-N 0 3 290.407 2.216 20 30 CEEDHN N#Cc1csc(CN2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000600209026 346623491 /nfs/dbraw/zinc/62/34/91/346623491.db2.gz WBBMDBJQXFCNNR-GXTWGEPZSA-N 0 3 262.378 2.214 20 30 CEEDHN CC(C)(CNC(=O)C1(C#N)CC2(CC2)C1)N1CCCCC1 ZINC000600944490 346713799 /nfs/dbraw/zinc/71/37/99/346713799.db2.gz TZQVHVDBMZNXDT-UHFFFAOYSA-N 0 3 289.423 2.451 20 30 CEEDHN N#C[C@H]1CC[C@@H](n2cc(CNC3CCCC3)nn2)C1 ZINC000600973746 346723353 /nfs/dbraw/zinc/72/33/53/346723353.db2.gz QWPBXAFVIZGFMJ-SMDDNHRTSA-N 0 3 259.357 2.175 20 30 CEEDHN N#C[C@H]1CC[C@H](n2cc(COc3ccccc3CN)nn2)C1 ZINC000600972688 346723455 /nfs/dbraw/zinc/72/34/55/346723455.db2.gz COBYYWVJOFMJPQ-WFASDCNBSA-N 0 3 297.362 2.181 20 30 CEEDHN COc1cc(Cl)ccc1CNC[C@H](O)CC1(C#N)CC1 ZINC000600719116 346677916 /nfs/dbraw/zinc/67/79/16/346677916.db2.gz BQVZOVQPWKDEQY-CYBMUJFWSA-N 0 3 294.782 2.493 20 30 CEEDHN Cc1ccc(-c2ccc(N3CCNCC3)nc2)c(C#N)c1 ZINC000600775362 346687715 /nfs/dbraw/zinc/68/77/15/346687715.db2.gz HXKIOVQUVAHCCD-UHFFFAOYSA-N 0 3 278.359 2.338 20 30 CEEDHN CO[C@H]1C[C@@H](CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000600797644 346692148 /nfs/dbraw/zinc/69/21/48/346692148.db2.gz NBWYXOVHGKNSSQ-OAGGEKHMSA-N 0 3 286.375 2.300 20 30 CEEDHN C[C@H]1C[C@H](N(C)c2cc(C#N)nc(C3CC3)n2)CCN1C ZINC000601118858 346758307 /nfs/dbraw/zinc/75/83/07/346758307.db2.gz IRXFILMCMRUWHG-SMDDNHRTSA-N 0 3 285.395 2.145 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1cc(C#N)nc(C2CC2)n1 ZINC000601125512 346760882 /nfs/dbraw/zinc/76/08/82/346760882.db2.gz HNGJYXVZEJVKGJ-BXUZGUMPSA-N 0 3 285.395 2.002 20 30 CEEDHN Cc1cc(C#N)cc(N[C@H]2CN(C3CC3)C[C@@H]2C)n1 ZINC000601128914 346762437 /nfs/dbraw/zinc/76/24/37/346762437.db2.gz GZUUYONEVWACBQ-HZMBPMFUSA-N 0 3 256.353 2.156 20 30 CEEDHN CCN(CCOc1cccc(C#N)c1)[C@H]1CCOC1 ZINC000336815296 365857081 /nfs/dbraw/zinc/85/70/81/365857081.db2.gz HLSKWUKBQSINII-AWEZNQCLSA-N 0 3 260.337 2.048 20 30 CEEDHN CCN1CCC[C@@H]1CNc1ncc(C#N)c2ccsc21 ZINC000601100674 346752525 /nfs/dbraw/zinc/75/25/25/346752525.db2.gz ZEJPWHSIVIEBDR-GFCCVEGCSA-N 0 3 286.404 2.486 20 30 CEEDHN C#CCOc1ccccc1CN1CCC[C@](C)(O)C1 ZINC000129526177 365867432 /nfs/dbraw/zinc/86/74/32/365867432.db2.gz BNZXWQNKRLVMTA-INIZCTEOSA-N 0 3 259.349 2.045 20 30 CEEDHN C[C@H](CCC#N)CN1CCC(Oc2cnccn2)CC1 ZINC000602638694 347118015 /nfs/dbraw/zinc/11/80/15/347118015.db2.gz FURNCCCRUAPKBM-CYBMUJFWSA-N 0 3 274.368 2.260 20 30 CEEDHN N#CC1(CNC[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000602642092 347118936 /nfs/dbraw/zinc/11/89/36/347118936.db2.gz HYDZUTLXSQOJNP-CQSZACIVSA-N 0 3 255.365 2.406 20 30 CEEDHN COc1cnccc1N1CCN(C[C@H](C)CCC#N)CC1 ZINC000602644920 347120932 /nfs/dbraw/zinc/12/09/32/347120932.db2.gz PGWCDMKQACWVIH-CQSZACIVSA-N 0 3 288.395 2.152 20 30 CEEDHN C[C@H](CO)N(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356313454 370654389 /nfs/dbraw/zinc/65/43/89/370654389.db2.gz YXERBMIKUHGNJM-SECBINFHSA-N 0 3 272.270 2.390 20 30 CEEDHN CC(C)c1nc(CN[C@@H](C)CC2(C#N)CCOCC2)n[nH]1 ZINC000602675905 347137873 /nfs/dbraw/zinc/13/78/73/347137873.db2.gz WSKFKBOEULEMQF-LBPRGKRZSA-N 0 3 291.399 2.117 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2cccn(C(F)F)c2=O)C1 ZINC000602695429 347153078 /nfs/dbraw/zinc/15/30/78/347153078.db2.gz UFYBZYLAZMRMRT-GXSJLCMTSA-N 0 3 267.279 2.025 20 30 CEEDHN COCCN(Cc1ccccn1)C[C@@H](C)CCC#N ZINC000602655972 347126702 /nfs/dbraw/zinc/12/67/02/347126702.db2.gz JNLGUTLYJNLDLB-AWEZNQCLSA-N 0 3 261.369 2.470 20 30 CEEDHN C[C@H]1OCC[C@@H]1CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000602765136 347188610 /nfs/dbraw/zinc/18/86/10/347188610.db2.gz DHXLXRSDELDCJL-CRAIPNDOSA-N 0 3 299.418 2.101 20 30 CEEDHN COCCN(CCc1cnccn1)Cc1ccc(C#N)cc1 ZINC000602767536 347189542 /nfs/dbraw/zinc/18/95/42/347189542.db2.gz WYMNQCVIUMGOFI-UHFFFAOYSA-N 0 3 296.374 2.039 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1CCc2ncnn21 ZINC000602847098 347222665 /nfs/dbraw/zinc/22/26/65/347222665.db2.gz SCERSEZXOZNODX-WFASDCNBSA-N 0 3 281.363 2.330 20 30 CEEDHN C[C@H]1CN(CCc2ccccc2)C[C@H](C)N1CC#N ZINC000602853001 347225451 /nfs/dbraw/zinc/22/54/51/347225451.db2.gz FTXDGSJJQTXSLM-GJZGRUSLSA-N 0 3 257.381 2.147 20 30 CEEDHN Cn1cc(C2=CCCN([C@@H]3CC[C@@H](C#N)C3)C2)cn1 ZINC000602883818 347238173 /nfs/dbraw/zinc/23/81/73/347238173.db2.gz ROZLVEKFIQOOEL-IUODEOHRSA-N 0 3 256.353 2.201 20 30 CEEDHN N#Cc1ccccc1NC1CCN(CCn2ccnc2)CC1 ZINC000602895385 347241111 /nfs/dbraw/zinc/24/11/11/347241111.db2.gz MNJICOPHAZCHSI-UHFFFAOYSA-N 0 3 295.390 2.331 20 30 CEEDHN N#Cc1ccc(C2CCN(Cc3cnc[nH]3)CC2)nc1 ZINC000602905519 347243858 /nfs/dbraw/zinc/24/38/58/347243858.db2.gz GDXLZYQDSWDLNF-UHFFFAOYSA-N 0 3 267.336 2.056 20 30 CEEDHN N#Cc1ccc(C2CCN(Cc3cc[nH]c(=O)c3)CC2)nc1 ZINC000602908077 347244431 /nfs/dbraw/zinc/24/44/31/347244431.db2.gz YXLANRRJOPKERO-UHFFFAOYSA-N 0 3 294.358 2.433 20 30 CEEDHN CO[C@H](C)CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907641 347244761 /nfs/dbraw/zinc/24/47/61/347244761.db2.gz PJPUNTIDLNYUSZ-GFCCVEGCSA-N 0 3 259.353 2.168 20 30 CEEDHN C[C@@H](CN(C)CC(=O)NC1(C#N)CCC1)C(C)(C)C ZINC000603053782 347277523 /nfs/dbraw/zinc/27/75/23/347277523.db2.gz FDZWPPVFXRTESX-LBPRGKRZSA-N 0 3 265.401 2.163 20 30 CEEDHN N#Cc1cnn(-c2ccccc2)c1N[C@H]1CCN(C2CC2)C1 ZINC000603279160 347327822 /nfs/dbraw/zinc/32/78/22/347327822.db2.gz OBRUMUPYZNEVDR-AWEZNQCLSA-N 0 3 293.374 2.393 20 30 CEEDHN COCc1cc(C#N)ccc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000603358762 347349180 /nfs/dbraw/zinc/34/91/80/347349180.db2.gz KVUUSERSBRTXOC-QGZVFWFLSA-N 0 3 287.407 2.481 20 30 CEEDHN CCC[C@H](N)c1cn(CCOc2ccc(C#N)cc2)nn1 ZINC000603175484 347302036 /nfs/dbraw/zinc/30/20/36/347302036.db2.gz IWQWUDSWBIWEHO-AWEZNQCLSA-N 0 3 285.351 2.029 20 30 CEEDHN N#CCN1CCC(NCc2ccccc2OC(F)F)CC1 ZINC000609334674 347635098 /nfs/dbraw/zinc/63/50/98/347635098.db2.gz ASGFUXJBNPOWLV-UHFFFAOYSA-N 0 3 295.333 2.366 20 30 CEEDHN C[C@@](CO)(NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000609483832 347640214 /nfs/dbraw/zinc/64/02/14/347640214.db2.gz JTALHHWGHZSURU-SFHVURJKSA-N 0 3 296.370 2.434 20 30 CEEDHN C[C@@](CO)(NCCOc1cccc(C#N)c1)c1ccccc1 ZINC000609483866 347640622 /nfs/dbraw/zinc/64/06/22/347640622.db2.gz MNXSTSNJLOWTSJ-SFHVURJKSA-N 0 3 296.370 2.434 20 30 CEEDHN CC(C#N)C(=O)NCc1ccccc1N1CCCC1 ZINC000609620083 347647288 /nfs/dbraw/zinc/64/72/88/347647288.db2.gz UAOINCIPPVEZDS-LBPRGKRZSA-N 0 3 257.337 2.063 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000609843618 347652285 /nfs/dbraw/zinc/65/22/85/347652285.db2.gz NSUOZKGHQZPDMN-PWSUYJOCSA-N 0 3 272.304 2.238 20 30 CEEDHN C[C@H](C#N)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000610348012 347674692 /nfs/dbraw/zinc/67/46/92/347674692.db2.gz KUMCQTRAUNIDAX-ZBFHGGJFSA-N 0 3 285.391 2.489 20 30 CEEDHN N#Cc1ccccc1N1CCCN([C@@H]2CCCOC2)CC1 ZINC000610560013 347692149 /nfs/dbraw/zinc/69/21/49/347692149.db2.gz MAZZUQVUFYPCNY-MRXNPFEDSA-N 0 3 285.391 2.249 20 30 CEEDHN CN(C)C(=O)CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611392546 347772411 /nfs/dbraw/zinc/77/24/11/347772411.db2.gz VLPNVZXRYANCCD-HNNXBMFYSA-N 0 3 271.364 2.004 20 30 CEEDHN COc1ccc(CN(CCO)CC(C)(C)C)cc1C#N ZINC000610992684 347728973 /nfs/dbraw/zinc/72/89/73/347728973.db2.gz BIVKROGHGYCSLU-UHFFFAOYSA-N 0 3 276.380 2.407 20 30 CEEDHN C[C@H](NCCOC[C@@H]1CCOC1)c1cccc(C#N)c1 ZINC000611438465 347779923 /nfs/dbraw/zinc/77/99/23/347779923.db2.gz TTYSXYPONUFIMK-DZGCQCFKSA-N 0 3 274.364 2.262 20 30 CEEDHN CCN(CCc1nccs1)Cc1ccnc(C#N)c1 ZINC000611093658 347738555 /nfs/dbraw/zinc/73/85/55/347738555.db2.gz VDOMLEUWVJXSGC-UHFFFAOYSA-N 0 3 272.377 2.474 20 30 CEEDHN N#CC(C(=O)NC[C@@H]1CCCO1)c1ccc2ccccc2n1 ZINC000611158152 347745729 /nfs/dbraw/zinc/74/57/29/347745729.db2.gz DMXSFTFAIFAWAI-KBPBESRZSA-N 0 3 295.342 2.137 20 30 CEEDHN N#CC(C(=O)NC[C@@H]1CCCO1)c1ccc2ccccc2n1 ZINC000611158154 347745887 /nfs/dbraw/zinc/74/58/87/347745887.db2.gz DMXSFTFAIFAWAI-UONOGXRCSA-N 0 3 295.342 2.137 20 30 CEEDHN CCN(Cc1cnc2ccc(C#N)cn12)C[C@H]1CCOC1 ZINC000611256728 347759284 /nfs/dbraw/zinc/75/92/84/347759284.db2.gz TXTWVKVUTLGIGX-CQSZACIVSA-N 0 3 284.363 2.064 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)N1CCC(CC#N)CC1 ZINC000611627211 347800880 /nfs/dbraw/zinc/80/08/80/347800880.db2.gz FEOGMYPBZOLNJE-OAHLLOKOSA-N 0 3 292.427 2.196 20 30 CEEDHN N#CCc1ccc(CN2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000612059133 347838914 /nfs/dbraw/zinc/83/89/14/347838914.db2.gz XOATWTMRTZNBSR-UHFFFAOYSA-N 0 3 297.402 2.243 20 30 CEEDHN C[C@@]1(NCc2ccnc(C#N)c2)CCO[C@@H]1C1CC1 ZINC000612187553 347854599 /nfs/dbraw/zinc/85/45/99/347854599.db2.gz ZMFZEINJNYOFTP-HUUCEWRRSA-N 0 3 257.337 2.000 20 30 CEEDHN CC(C)(C#N)CNC1CCN(C(=O)c2ccoc2)CC1 ZINC000612585036 347904199 /nfs/dbraw/zinc/90/41/99/347904199.db2.gz MRBIDJNVNVCVQU-UHFFFAOYSA-N 0 3 275.352 2.024 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCN(C(C)C)CC1 ZINC000130407229 365953059 /nfs/dbraw/zinc/95/30/59/365953059.db2.gz GNUFOGOEDAUJCO-UHFFFAOYSA-N 0 3 273.380 2.093 20 30 CEEDHN COCCOc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cn1 ZINC000613255076 348009651 /nfs/dbraw/zinc/00/96/51/348009651.db2.gz FLEMYXLRBKHJEH-HIFRSBDPSA-N 0 3 289.379 2.279 20 30 CEEDHN N#Cc1ccc(N2CCC(NCc3ccccn3)CC2)nc1 ZINC000067011040 362899035 /nfs/dbraw/zinc/89/90/35/362899035.db2.gz DMIIBHRNPNCTQF-UHFFFAOYSA-N 0 3 293.374 2.107 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000617919661 348822476 /nfs/dbraw/zinc/82/24/76/348822476.db2.gz AVEUSDBOQISXMA-FUHWJXTLSA-N 0 3 298.386 2.398 20 30 CEEDHN C[C@H]1C[C@@H]1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000357724455 233131504 /nfs/dbraw/zinc/13/15/04/233131504.db2.gz AHPZYMDLOPTYPM-WMLDXEAASA-N 0 3 299.418 2.495 20 30 CEEDHN CC(C)[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C(=O)N1CCCC1 ZINC000618571651 348978914 /nfs/dbraw/zinc/97/89/14/348978914.db2.gz FSOWLOMLOJKGKR-KFWWJZLASA-N 0 3 277.412 2.305 20 30 CEEDHN C[C@@H](CC(=O)N(C)C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618801931 349043310 /nfs/dbraw/zinc/04/33/10/349043310.db2.gz CEFCZFVKQXCLAB-NHYWBVRUSA-N 0 3 271.364 2.002 20 30 CEEDHN Cc1cc(C#N)ccc1CN(C)[C@H](C)CN1CCOCC1 ZINC000619050326 349105904 /nfs/dbraw/zinc/10/59/04/349105904.db2.gz JAUMWDOMJVUJEM-OAHLLOKOSA-N 0 3 287.407 2.019 20 30 CEEDHN CC(C)N(C)CC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618892871 349061367 /nfs/dbraw/zinc/06/13/67/349061367.db2.gz RQHKVLQHQSVZCS-HNNXBMFYSA-N 0 3 271.364 2.002 20 30 CEEDHN C[C@@H](Cn1ccnc1)NCc1ccc(C#N)c(F)c1 ZINC000404256656 233193491 /nfs/dbraw/zinc/19/34/91/233193491.db2.gz OOKSUJBFNNWJTC-NSHDSACASA-N 0 3 258.300 2.072 20 30 CEEDHN Cc1nnc(NC[C@H]2N(C)CCCC2(C)C)c(C#N)c1C ZINC000619158248 349130887 /nfs/dbraw/zinc/13/08/87/349130887.db2.gz GHEKZUIOKNGVKO-CQSZACIVSA-N 0 3 287.411 2.497 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000623726981 350094498 /nfs/dbraw/zinc/09/44/98/350094498.db2.gz IJOQJQLQUDUWPS-MGPQQGTHSA-N 0 3 265.401 2.077 20 30 CEEDHN CC#CCN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000090919558 180063326 /nfs/dbraw/zinc/06/33/26/180063326.db2.gz FDVIWEJPTQOICD-GFCCVEGCSA-N 0 3 258.321 2.317 20 30 CEEDHN C[C@H]1CC(C)(C)CN1CC(=O)NCc1cccc(C#N)c1 ZINC000412050190 233323690 /nfs/dbraw/zinc/32/36/90/233323690.db2.gz XTEMMFWMMDUGIR-ZDUSSCGKSA-N 0 3 285.391 2.295 20 30 CEEDHN C[C@@H]1[C@H](CO)CCCN1CCOc1ccccc1C#N ZINC000412080963 233333295 /nfs/dbraw/zinc/33/32/95/233333295.db2.gz LUEDUQKCUYATOK-HIFRSBDPSA-N 0 3 274.364 2.030 20 30 CEEDHN C=C(CC)CNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000624178342 350220517 /nfs/dbraw/zinc/22/05/17/350220517.db2.gz BYZVQTAPUZXYBJ-AWEZNQCLSA-N 0 3 265.401 2.269 20 30 CEEDHN Cn1cc([C@H]2OCCC[C@@H]2NCc2ccc(C#N)cc2)cn1 ZINC000275674401 282682174 /nfs/dbraw/zinc/68/21/74/282682174.db2.gz VTSUDQNRWXYRHI-DLBZAZTESA-N 0 3 296.374 2.302 20 30 CEEDHN C=CCCCCCN1CCN(Cc2cn[nH]c2)CC1 ZINC000625474815 350511207 /nfs/dbraw/zinc/51/12/07/350511207.db2.gz UTUFCLJDUKEOOI-UHFFFAOYSA-N 0 3 262.401 2.274 20 30 CEEDHN CCCO[C@@H]1CCCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000108397254 186215162 /nfs/dbraw/zinc/21/51/62/186215162.db2.gz CYKNXOYYWLIASW-LSDHHAIUSA-N 0 3 295.427 2.028 20 30 CEEDHN CN(CC#Cc1ccccc1Cl)C[C@H]1C[C@@H](O)C1 ZINC000626045965 350639838 /nfs/dbraw/zinc/63/98/38/350639838.db2.gz JYPABKGQICXJFL-XBXGTLAGSA-N 0 3 263.768 2.394 20 30 CEEDHN CN(CCCCC#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000109815559 186275169 /nfs/dbraw/zinc/27/51/69/186275169.db2.gz QWEOZRQSKVILGU-HNNXBMFYSA-N 0 3 271.364 2.418 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@H](C/C=C/C)C1 ZINC000626160475 350673205 /nfs/dbraw/zinc/67/32/05/350673205.db2.gz JGPLEICULLXWAY-CNPQOGTOSA-N 0 3 250.386 2.355 20 30 CEEDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(C#N)cc1 ZINC000131004928 366012426 /nfs/dbraw/zinc/01/24/26/366012426.db2.gz IQYNBUOEYVUUBW-LLVKDONJSA-N 0 3 285.307 2.014 20 30 CEEDHN CC(C#N)C(=O)NCC(=O)c1cccc(Cl)c1Cl ZINC000629005732 351239774 /nfs/dbraw/zinc/23/97/74/351239774.db2.gz IXWHZBZPJLMUAJ-ZETCQYMHSA-N 0 3 285.130 2.452 20 30 CEEDHN CC1(C)CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000070259050 363064173 /nfs/dbraw/zinc/06/41/73/363064173.db2.gz CXHCOGFEDGCXSX-OAHLLOKOSA-N 0 3 288.391 2.420 20 30 CEEDHN C=CCN1CC[C@@H](N2CCSC(CC)(CC)C2)C1=O ZINC000337208072 366078284 /nfs/dbraw/zinc/07/82/84/366078284.db2.gz PVYNXLSMZWKBCZ-CYBMUJFWSA-N 0 3 282.453 2.381 20 30 CEEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3n2C)cnn1C ZINC000122883725 187057860 /nfs/dbraw/zinc/05/78/60/187057860.db2.gz AYPVFRNJNMBDMA-LLVKDONJSA-N 0 3 293.330 2.105 20 30 CEEDHN C[C@@H]1CCCCN1CCNCc1cnc2ccc(C#N)cn12 ZINC000123303860 187083831 /nfs/dbraw/zinc/08/38/31/187083831.db2.gz OYBVEDGJWFXZBW-CQSZACIVSA-N 0 3 297.406 2.170 20 30 CEEDHN C[C@H]1CCCN(CCNCc2cnc3ccc(C#N)cn23)C1 ZINC000123304918 187083877 /nfs/dbraw/zinc/08/38/77/187083877.db2.gz CYJCCNSOKFMDLO-AWEZNQCLSA-N 0 3 297.406 2.027 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)c2ccncc2)CC1 ZINC000630941644 351895635 /nfs/dbraw/zinc/89/56/35/351895635.db2.gz DAISGHXTHDJCGH-AWEZNQCLSA-N 0 3 287.407 2.342 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccnn1CC1CCC1 ZINC000631151023 351988692 /nfs/dbraw/zinc/98/86/92/351988692.db2.gz KFWBNNUOTWHZJX-CABCVRRESA-N 0 3 261.369 2.116 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccc(C(F)F)nc1 ZINC000631154065 351990308 /nfs/dbraw/zinc/99/03/08/351990308.db2.gz PLFWUTBSYRUBSY-LLVKDONJSA-N 0 3 256.296 2.436 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)C1CSC1)C(C)C ZINC000631274793 352048715 /nfs/dbraw/zinc/04/87/15/352048715.db2.gz SSQGXPDBVLGGEE-CQSZACIVSA-N 0 3 282.453 2.164 20 30 CEEDHN C=CCN(C[C@H](O)COCc1cccc(OC)c1)C1CC1 ZINC000271457154 191148669 /nfs/dbraw/zinc/14/86/69/191148669.db2.gz PDEWJMQYIUSVFQ-INIZCTEOSA-N 0 3 291.391 2.223 20 30 CEEDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cccc(C#N)c1)C2 ZINC000072930061 363181556 /nfs/dbraw/zinc/18/15/56/363181556.db2.gz WVKIYFZIPJNGFB-LSDHHAIUSA-N 0 3 284.363 2.259 20 30 CEEDHN C=CCN(C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000153715463 188098722 /nfs/dbraw/zinc/09/87/22/188098722.db2.gz BRNAWDRODLEKLN-UHFFFAOYSA-N 0 3 261.369 2.076 20 30 CEEDHN CCCCN(CCOC)C[C@@H](O)c1ccc(C#N)cc1 ZINC000156325880 188255735 /nfs/dbraw/zinc/25/57/35/188255735.db2.gz XCFMRNHIYWFVGL-MRXNPFEDSA-N 0 3 276.380 2.340 20 30 CEEDHN C#CCN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000132761100 366170122 /nfs/dbraw/zinc/17/01/22/366170122.db2.gz DMAOLYCBDTXBRX-NSHDSACASA-N 0 3 277.755 2.019 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000338118697 366197847 /nfs/dbraw/zinc/19/78/47/366197847.db2.gz RFMKQVADUBAAMR-SWLSCSKDSA-N 0 3 283.375 2.175 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000338136068 366208095 /nfs/dbraw/zinc/20/80/95/366208095.db2.gz ZIZGBEGOOZRUJZ-RISCZKNCSA-N 0 3 283.375 2.222 20 30 CEEDHN CN(C)CCN(Cc1ccc(F)cc1)c1cc(C#N)ncn1 ZINC000569786200 299219002 /nfs/dbraw/zinc/21/90/02/299219002.db2.gz HJEZWGBFNSVNDJ-UHFFFAOYSA-N 0 3 299.353 2.056 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](C3CCOCC3)C2)o1 ZINC000336375475 213229931 /nfs/dbraw/zinc/22/99/31/213229931.db2.gz FBEVDERXFZXFBR-ZDUSSCGKSA-N 0 3 260.337 2.400 20 30 CEEDHN N#C[C@@H]1CCC[C@H]1NC1CCN(c2nccs2)CC1 ZINC000331918501 283057563 /nfs/dbraw/zinc/05/75/63/283057563.db2.gz LNHPDIPGEYHQNY-WCQYABFASA-N 0 3 276.409 2.394 20 30 CEEDHN N#CCc1ccc(CN2CCC[C@H]2CN2CCOCC2)cc1 ZINC000343563483 283055446 /nfs/dbraw/zinc/05/54/46/283055446.db2.gz ZGXJKBUGTYCIBG-SFHVURJKSA-N 0 3 299.418 2.049 20 30 CEEDHN C[C@H](NC[C@]1(O)CCSC1)c1cccc(C#N)c1 ZINC000271852855 191367532 /nfs/dbraw/zinc/36/75/32/191367532.db2.gz IXAKZOFEUDADCQ-SMDDNHRTSA-N 0 3 262.378 2.077 20 30 CEEDHN Cc1nccn1CCN[C@@H](C)c1cccc(C#N)c1 ZINC000271868037 191378560 /nfs/dbraw/zinc/37/85/60/191378560.db2.gz VMBUZGXZIVCZSG-LBPRGKRZSA-N 0 3 254.337 2.414 20 30 CEEDHN C[C@H]1C[C@@H](Nc2ncc3c(c2C#N)CCC3)CCN1C ZINC000570083848 299236944 /nfs/dbraw/zinc/23/69/44/299236944.db2.gz NOQZBJKKAPHQOP-AAEUAGOBSA-N 0 3 270.380 2.337 20 30 CEEDHN N#Cc1ccc(CN2CCOCC3(CCOCC3)C2)cc1 ZINC000184080256 283141404 /nfs/dbraw/zinc/14/14/04/283141404.db2.gz SVEWYAILBYWHPA-UHFFFAOYSA-N 0 3 286.375 2.187 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccc(OC)c2)CC1 ZINC000075801213 363489473 /nfs/dbraw/zinc/48/94/73/363489473.db2.gz VCMCTSPUOJCXOD-UHFFFAOYSA-N 0 3 274.364 2.075 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](NCCn1ccnc1)CC2 ZINC000353430906 283198026 /nfs/dbraw/zinc/19/80/26/283198026.db2.gz XBEZKKWATTXZEL-OAHLLOKOSA-N 0 3 252.321 2.032 20 30 CEEDHN N#Cc1ccncc1N1CC[C@@H](N2CCCCC2)C1 ZINC000135606994 283226646 /nfs/dbraw/zinc/22/66/46/283226646.db2.gz GDUDDFLEPIVWLX-CQSZACIVSA-N 0 3 256.353 2.018 20 30 CEEDHN C[C@@H]1[C@H](C)N(Cc2ccc(C#N)c(F)c2)CCN1C ZINC000336311064 213153493 /nfs/dbraw/zinc/15/34/93/213153493.db2.gz LKBZIDVWTCBFCO-NEPJUHHUSA-N 0 3 261.344 2.222 20 30 CEEDHN C=CC[C@H](CO)NCc1cccc(OC)c1OC(F)F ZINC000320634591 538788952 /nfs/dbraw/zinc/78/89/52/538788952.db2.gz LHYSODOEFFIFIY-LLVKDONJSA-N 0 3 287.306 2.323 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000135106557 366396400 /nfs/dbraw/zinc/39/64/00/366396400.db2.gz JTOUSCVGAUAJAE-ZOWXZIJZSA-N 0 3 250.386 2.330 20 30 CEEDHN C[C@@H](NC(=O)NC[C@H](C)C#N)[C@H](c1ccccc1)N(C)C ZINC000577944850 366419047 /nfs/dbraw/zinc/41/90/47/366419047.db2.gz UNXPHABBNPJHTE-UMVBOHGHSA-N 0 3 288.395 2.137 20 30 CEEDHN C=CCN1C[C@H](C(=O)OC)C[C@@H](c2ccccc2)C1 ZINC000135449950 366440837 /nfs/dbraw/zinc/44/08/37/366440837.db2.gz OKBLKCLTZCSWEF-HUUCEWRRSA-N 0 3 259.349 2.451 20 30 CEEDHN N#Cc1ccc(CNC[C@H]2CSCCS2)o1 ZINC000135507727 366449370 /nfs/dbraw/zinc/44/93/70/366449370.db2.gz KDEWPIOEBBPOEL-NSHDSACASA-N 0 3 254.380 2.089 20 30 CEEDHN Cc1ccc(C(=O)NCCNCc2ccc(C#N)s2)cc1 ZINC000135685942 366468769 /nfs/dbraw/zinc/46/87/69/366468769.db2.gz GNJIAVLRACNYBD-UHFFFAOYSA-N 0 3 299.399 2.448 20 30 CEEDHN N#C[C@H](c1ccccc1)N1CCN(CC2CCOCC2)CC1 ZINC000080934846 363689651 /nfs/dbraw/zinc/68/96/51/363689651.db2.gz ZMFBCSQBMJPIBJ-GOSISDBHSA-N 0 3 299.418 2.295 20 30 CEEDHN CCNC(=O)N1CC[C@@H](N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000151075154 366618436 /nfs/dbraw/zinc/61/84/36/366618436.db2.gz YJTJSMIRQSQQAE-IUODEOHRSA-N 0 3 286.379 2.013 20 30 CEEDHN C=CCC(CC=C)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000150864641 366601249 /nfs/dbraw/zinc/60/12/49/366601249.db2.gz YGGUKQJHABPLBX-AWEZNQCLSA-N 0 3 250.386 2.307 20 30 CEEDHN N#CCCOCCN1CC[C@H](Oc2ccccc2)C1 ZINC000579469945 366649896 /nfs/dbraw/zinc/64/98/96/366649896.db2.gz VKULSFAOTIWGMM-HNNXBMFYSA-N 0 3 260.337 2.070 20 30 CEEDHN CC(C)[C@@H](C(=O)N1CCC(CCC#N)CC1)N(C)C ZINC000579596160 366670019 /nfs/dbraw/zinc/67/00/19/366670019.db2.gz SEZCBBLELPTAAK-AWEZNQCLSA-N 0 3 265.401 2.115 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)/C=C/c1ccc(C#N)cc1 ZINC000298076767 200328761 /nfs/dbraw/zinc/32/87/61/200328761.db2.gz JAXVLPUDGFYVSF-SCOAYWHSSA-N 0 3 283.375 2.172 20 30 CEEDHN Cc1cc(C#N)cc(NCCN(C)Cc2ccccc2)n1 ZINC000341822658 216117702 /nfs/dbraw/zinc/11/77/02/216117702.db2.gz KXRKUCNVYSTGJK-UHFFFAOYSA-N 0 3 280.375 2.228 20 30 CEEDHN C[C@@H]1CN(CCCCNc2ccc(C#N)nc2)C[C@H](C)O1 ZINC000151979815 366680637 /nfs/dbraw/zinc/68/06/37/366680637.db2.gz VRMGXIVOGRIBOK-OKILXGFUSA-N 0 3 288.395 2.255 20 30 CEEDHN C[C@H]1CN(CCCCNc2ccc(C#N)nc2)C[C@H](C)O1 ZINC000151979882 366680982 /nfs/dbraw/zinc/68/09/82/366680982.db2.gz VRMGXIVOGRIBOK-KBPBESRZSA-N 0 3 288.395 2.255 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)[C@H](C)c1ccccc1 ZINC000177472948 189053222 /nfs/dbraw/zinc/05/32/22/189053222.db2.gz XXBDVASZZAXLMC-MJBXVCDLSA-N 0 3 260.381 2.459 20 30 CEEDHN C=CCCOCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000179158622 189173872 /nfs/dbraw/zinc/17/38/72/189173872.db2.gz HXGGKSAILVGSKB-UHFFFAOYSA-N 0 3 291.395 2.462 20 30 CEEDHN C=CCNC(=O)CN[C@H](Cc1cccc(C)c1)C1CC1 ZINC000180037877 189233724 /nfs/dbraw/zinc/23/37/24/189233724.db2.gz FEKHMZIAHXBYCD-MRXNPFEDSA-N 0 3 272.392 2.208 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CC(=O)NCc1cccc(C#N)c1 ZINC000342339087 216314504 /nfs/dbraw/zinc/31/45/04/216314504.db2.gz NKADIUMJRSAWRM-KBPBESRZSA-N 0 3 285.391 2.437 20 30 CEEDHN COc1ccc(CN2CC[C@H]([C@@H]3CCOC3)C2)cc1C#N ZINC000340173362 366790460 /nfs/dbraw/zinc/79/04/60/366790460.db2.gz KZNHYJJTLPCEQU-LSDHHAIUSA-N 0 3 286.375 2.425 20 30 CEEDHN C#CCN(CCc1nc2ccccc2c(=O)[nH]1)C1CCCC1 ZINC000155741953 366820820 /nfs/dbraw/zinc/82/08/20/366820820.db2.gz WWXZLHIUPOSRBK-UHFFFAOYSA-N 0 3 295.386 2.343 20 30 CEEDHN N#Cc1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)nn1 ZINC000301941897 201270589 /nfs/dbraw/zinc/27/05/89/201270589.db2.gz VFIHZVJOHJLNFL-MRXNPFEDSA-N 0 3 293.374 2.425 20 30 CEEDHN C=CCN(C(=O)N[C@H](CC)CN1CCCC1)C1CC1 ZINC000678554708 541148989 /nfs/dbraw/zinc/14/89/89/541148989.db2.gz CUXSKRCTTGFSEN-CYBMUJFWSA-N 0 3 265.401 2.221 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)C1(C#N)CCCC1 ZINC000027755816 361658261 /nfs/dbraw/zinc/65/82/61/361658261.db2.gz XGCBWVAJRAVSBO-ZDUSSCGKSA-N 0 3 263.385 2.061 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000678757035 541169045 /nfs/dbraw/zinc/16/90/45/541169045.db2.gz VLESFDDLNFRHCO-UONOGXRCSA-N 0 3 277.364 2.436 20 30 CEEDHN CC[C@H](NCC#CCOC)c1ccc2c(c1)OCCO2 ZINC000678756501 541169183 /nfs/dbraw/zinc/16/91/83/541169183.db2.gz HYNDIBKOCTXHAH-AWEZNQCLSA-N 0 3 275.348 2.148 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000678893934 541189198 /nfs/dbraw/zinc/18/91/98/541189198.db2.gz SBHAMSASMHOWKO-CYBMUJFWSA-N 0 3 293.415 2.311 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)CCN1C ZINC000090795226 364065814 /nfs/dbraw/zinc/06/58/14/364065814.db2.gz HZCILNXJUMUTNK-PWSUYJOCSA-N 0 3 274.324 2.361 20 30 CEEDHN CN1CC[C@@H]2CN(Cc3ccc(Cl)cc3C#N)C[C@@H]21 ZINC000334621659 364092922 /nfs/dbraw/zinc/09/29/22/364092922.db2.gz FYJAJXRVUVSHPW-DOMZBBRYSA-N 0 3 275.783 2.348 20 30 CEEDHN CN1CC[C@@H]2CN(Cc3ccc(C#N)cc3Cl)C[C@@H]21 ZINC000334622710 364094649 /nfs/dbraw/zinc/09/46/49/364094649.db2.gz MLHOXMZRDLUOKJ-HIFRSBDPSA-N 0 3 275.783 2.348 20 30 CEEDHN C#CCOc1ccc(CN2CCC(c3nnc[nH]3)CC2)cc1 ZINC000093646257 364208248 /nfs/dbraw/zinc/20/82/48/364208248.db2.gz ISKXQUMBIZUFBU-UHFFFAOYSA-N 0 3 296.374 2.196 20 30 CEEDHN N#Cc1ccc(NC(=O)N2CCCNCC2)cc1Cl ZINC000334867468 364280687 /nfs/dbraw/zinc/28/06/87/364280687.db2.gz WWPHAEJLTDSCDK-UHFFFAOYSA-N 0 3 278.743 2.039 20 30 CEEDHN CC[C@@H](C)N1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000094593160 364281517 /nfs/dbraw/zinc/28/15/17/364281517.db2.gz OIZWOXLMEDZTTK-GFCCVEGCSA-N 0 3 288.351 2.387 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000335045992 364397055 /nfs/dbraw/zinc/39/70/55/364397055.db2.gz UNDGGEKPESQLDS-SKDRFNHKSA-N 0 3 262.284 2.315 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC2(CNC(=O)N2C)CC1 ZINC000335116275 364498796 /nfs/dbraw/zinc/49/87/96/364498796.db2.gz CXKGTJKRMXNINN-ZDUSSCGKSA-N 0 3 298.390 2.109 20 30 CEEDHN Cc1cc(C#N)nc(NCCN2CC=C(C(C)(C)C)CC2)n1 ZINC000582109047 366862459 /nfs/dbraw/zinc/86/24/59/366862459.db2.gz HUEZBWOHDCVYQI-UHFFFAOYSA-N 0 3 299.422 2.169 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCc3c[nH]nc3C2)cc1F ZINC000335233300 364664299 /nfs/dbraw/zinc/66/42/99/364664299.db2.gz QKGZAVZKYLMQEI-ZDUSSCGKSA-N 0 3 270.311 2.068 20 30 CEEDHN CCCCN(C)CCNC(=O)Nc1ccc(C#N)cc1 ZINC000112384478 364802085 /nfs/dbraw/zinc/80/20/85/364802085.db2.gz PIGUKEAPNTUCSV-UHFFFAOYSA-N 0 3 274.368 2.412 20 30 CEEDHN C=CC1CCN(C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000111818804 364761113 /nfs/dbraw/zinc/76/11/13/364761113.db2.gz WMAAWZFXUAJDCY-AWEZNQCLSA-N 0 3 279.428 2.468 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCSC3(CCOCC3)C2)C1 ZINC000335668717 364821743 /nfs/dbraw/zinc/82/17/43/364821743.db2.gz GOYQNUGLHAAIEK-CHWSQXEVSA-N 0 3 266.410 2.277 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCSC3(CCOCC3)C2)C1 ZINC000335668718 364821976 /nfs/dbraw/zinc/82/19/76/364821976.db2.gz GOYQNUGLHAAIEK-OLZOCXBDSA-N 0 3 266.410 2.277 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H]2OC(F)F)nc1 ZINC000572175499 299350423 /nfs/dbraw/zinc/35/04/23/299350423.db2.gz LZIGQLPSGPIOSF-VXGBXAGGSA-N 0 3 267.279 2.203 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000119300418 365249537 /nfs/dbraw/zinc/24/95/37/365249537.db2.gz LVSVYJWEKLNCPG-ZIAGYGMSSA-N 0 3 284.403 2.354 20 30 CEEDHN CC(C#N)C(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000335998024 365270352 /nfs/dbraw/zinc/27/03/52/365270352.db2.gz CKDRBZIISXYSAQ-NSHDSACASA-N 0 3 258.321 2.258 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000119710701 365314718 /nfs/dbraw/zinc/31/47/18/365314718.db2.gz SFNHFKTZGJXXKY-LBPRGKRZSA-N 0 3 271.364 2.079 20 30 CEEDHN C=CCCCN(C)CC(=O)NC(=O)Nc1ccccc1 ZINC000121044528 365516462 /nfs/dbraw/zinc/51/64/62/365516462.db2.gz KMTVJCGEOMSPJA-UHFFFAOYSA-N 0 3 275.352 2.233 20 30 CEEDHN C=CCCOCCNCc1ccc2c(c1)OCCO2 ZINC000120839416 365483171 /nfs/dbraw/zinc/48/31/71/365483171.db2.gz QNDHRZCWEBFBIM-UHFFFAOYSA-N 0 3 263.337 2.140 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CCN(c2ccncc2)CC1 ZINC000680992847 541484437 /nfs/dbraw/zinc/48/44/37/541484437.db2.gz UBHXBWYNNMPICQ-AWEZNQCLSA-N 0 3 273.380 2.333 20 30 CEEDHN C=CCC(C)(C)CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000583477390 367054798 /nfs/dbraw/zinc/05/47/98/367054798.db2.gz LHXUFNRTZGPRJO-CYBMUJFWSA-N 0 3 267.417 2.230 20 30 CEEDHN CC(C)N(Cc1cccc(C#N)c1F)C[C@@H](C)O ZINC000340919356 367088396 /nfs/dbraw/zinc/08/83/96/367088396.db2.gz UCVLCHDRQFRLSA-LLVKDONJSA-N 0 3 250.317 2.289 20 30 CEEDHN CC(C)[C@H](NC(=O)C(C)C#N)c1nc(-c2cccnc2)no1 ZINC000357896177 370833102 /nfs/dbraw/zinc/83/31/02/370833102.db2.gz UIMYWVZEYUVBBT-JQWIXIFHSA-N 0 3 299.334 2.105 20 30 CEEDHN Cc1ccc(C(=O)NC2CCN(CCCC#N)CC2)cc1 ZINC000586045713 367188481 /nfs/dbraw/zinc/18/84/81/367188481.db2.gz FQMYXBCRQICSBF-UHFFFAOYSA-N 0 3 285.391 2.493 20 30 CEEDHN CC1(C)[C@H](O)C[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000162843947 367195941 /nfs/dbraw/zinc/19/59/41/367195941.db2.gz RNDLXCRNRABFET-QWHCGFSZSA-N 0 3 264.756 2.461 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000628733776 367245965 /nfs/dbraw/zinc/24/59/65/367245965.db2.gz WVPWWIDEZSNWNP-YVEFUNNKSA-N 0 3 298.342 2.173 20 30 CEEDHN C[C@H](CC[S@](C)=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000164636849 367292536 /nfs/dbraw/zinc/29/25/36/367292536.db2.gz PUGNJEWBMSKQMV-FTLABTOESA-N 0 3 264.394 2.366 20 30 CEEDHN C[C@H](C[S@](C)=O)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000168549665 367355835 /nfs/dbraw/zinc/35/58/35/367355835.db2.gz AETVRRUYMTUVDO-UYSIFFEZSA-N 0 3 280.393 2.007 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC(C)(C)CC(C)(C)C1 ZINC000342345790 367400934 /nfs/dbraw/zinc/40/09/34/367400934.db2.gz KKOJLUHFPQYWFR-GFCCVEGCSA-N 0 3 252.402 2.435 20 30 CEEDHN CCN1C[C@@H](C)N(c2cc(C#N)cc(C)n2)C[C@@H]1C ZINC000342468624 367410936 /nfs/dbraw/zinc/41/09/36/367410936.db2.gz FLHSWFHQSIAWCD-QWHCGFSZSA-N 0 3 258.369 2.181 20 30 CEEDHN C#CCCCN1CCN(c2ccccc2OC)CC1 ZINC000169043657 367364290 /nfs/dbraw/zinc/36/42/90/367364290.db2.gz PCXRJKYDOAQMRX-UHFFFAOYSA-N 0 3 258.365 2.231 20 30 CEEDHN C=CCC[C@H](C)[NH2+]Cc1nnc(C2CCOCC2)[n-]1 ZINC000631693193 367488151 /nfs/dbraw/zinc/48/81/51/367488151.db2.gz JDPPVEORDAVTJC-NSHDSACASA-N 0 3 264.373 2.143 20 30 CEEDHN C=CCC[C@H](C)NCc1nnc(C2CCOCC2)[nH]1 ZINC000631693193 367488155 /nfs/dbraw/zinc/48/81/55/367488155.db2.gz JDPPVEORDAVTJC-NSHDSACASA-N 0 3 264.373 2.143 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccnc(C#N)c1 ZINC000342831973 367561225 /nfs/dbraw/zinc/56/12/25/367561225.db2.gz PYJZZZWHZRDMOO-KDOFPFPSSA-N 0 3 292.386 2.308 20 30 CEEDHN C=CCCN(C)[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000342720353 367499589 /nfs/dbraw/zinc/49/95/89/367499589.db2.gz LCSJDJHRXZNDKR-CYBMUJFWSA-N 0 3 279.384 2.410 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccco2)CC1 ZINC000171738803 367607314 /nfs/dbraw/zinc/60/73/14/367607314.db2.gz WBQGCGHIFWHBNU-UHFFFAOYSA-N 0 3 277.368 2.071 20 30 CEEDHN C=CCOCCCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000173061942 367866376 /nfs/dbraw/zinc/86/63/76/367866376.db2.gz PEWNCRXOFRKJGZ-INIZCTEOSA-N 0 3 290.407 2.388 20 30 CEEDHN CCCN1CCC[C@@H]1CNC(=O)c1cccc(CC#N)c1 ZINC000343609590 367915184 /nfs/dbraw/zinc/91/51/84/367915184.db2.gz NYQORAJCNKEKAH-MRXNPFEDSA-N 0 3 285.391 2.357 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000343619756 367921817 /nfs/dbraw/zinc/92/18/17/367921817.db2.gz ZLQBFNZHJZMXAR-TZMCWYRMSA-N 0 3 250.386 2.354 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCCN1CCC ZINC000343563035 367886081 /nfs/dbraw/zinc/88/60/81/367886081.db2.gz GADLWXPTKIZZAL-GOEBONIOSA-N 0 3 282.428 2.206 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1cccc(C#N)c1 ZINC000343565528 367888229 /nfs/dbraw/zinc/88/82/29/367888229.db2.gz HXZLTPHLTFGIBI-HNNXBMFYSA-N 0 3 271.364 2.162 20 30 CEEDHN CCN(CCC#N)C(=O)[C@H]1CCCN1C1CCCC1 ZINC000343776012 367998052 /nfs/dbraw/zinc/99/80/52/367998052.db2.gz QZFWOAOIHRIMDA-CQSZACIVSA-N 0 3 263.385 2.156 20 30 CEEDHN COc1ccc(CNCCOc2ccc(C#N)cc2)cc1O ZINC000174558365 368040962 /nfs/dbraw/zinc/04/09/62/368040962.db2.gz VGHZDIQLWYTYLO-UHFFFAOYSA-N 0 3 298.342 2.441 20 30 CEEDHN CC[C@@H](CCO)CNC(=O)C(C#N)CCc1ccccc1 ZINC000343807187 368014131 /nfs/dbraw/zinc/01/41/31/368014131.db2.gz KTYUAUONZXAVJQ-GOEBONIOSA-N 0 3 288.391 2.284 20 30 CEEDHN C=C1CC(C)(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)C1 ZINC000633032908 368030841 /nfs/dbraw/zinc/03/08/41/368030841.db2.gz NVFDMMCPIFDVBL-UONOGXRCSA-N 0 3 262.397 2.428 20 30 CEEDHN CCC(CC)N(CC)CC(=O)N(CCC#N)CCC#N ZINC000344029541 368103162 /nfs/dbraw/zinc/10/31/62/368103162.db2.gz NKKQPJIPOFYVDB-UHFFFAOYSA-N 0 3 278.400 2.153 20 30 CEEDHN C#CCN(C[C@H](O)COCC)[C@@H]1CCc2ccccc21 ZINC000175121005 368102233 /nfs/dbraw/zinc/10/22/33/368102233.db2.gz JKJJBIYSZQHDIS-DOTOQJQBSA-N 0 3 273.376 2.007 20 30 CEEDHN CC(C)N1CCC(NC(=O)C#Cc2ccccc2)CC1 ZINC000175946438 368191130 /nfs/dbraw/zinc/19/11/30/368191130.db2.gz YFASOLUAROJFCL-UHFFFAOYSA-N 0 3 270.376 2.027 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)CCCN1C ZINC000345283126 368221360 /nfs/dbraw/zinc/22/13/60/368221360.db2.gz SOFNGZCBUMJNJN-YGRLFVJLSA-N 0 3 290.342 2.302 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)c2cccs2)s1 ZINC000176949448 368256697 /nfs/dbraw/zinc/25/66/97/368256697.db2.gz VATWWWZJILJCTC-UHFFFAOYSA-N 0 3 291.401 2.201 20 30 CEEDHN Cc1ccccc1[C@@H](NCC(=O)NCC#N)C(C)(C)C ZINC000180091181 368366063 /nfs/dbraw/zinc/36/60/63/368366063.db2.gz QRJCNMIDAIXTTD-OAHLLOKOSA-N 0 3 273.380 2.312 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000572636914 299385677 /nfs/dbraw/zinc/38/56/77/299385677.db2.gz HHDKBKYKHKQUHN-CJNGLKHVSA-N 0 3 272.348 2.178 20 30 CEEDHN CSC[C@H](CCO)N[C@@H](C)c1ccc(C#N)cc1 ZINC000181797676 368494953 /nfs/dbraw/zinc/49/49/53/368494953.db2.gz SAASYUZCYRQJKK-FZMZJTMJSA-N 0 3 264.394 2.323 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccncc2CC)CC1 ZINC000182538494 368567768 /nfs/dbraw/zinc/56/77/68/368567768.db2.gz RDQWPPBIBJUXPI-UHFFFAOYSA-N 0 3 273.380 2.024 20 30 CEEDHN CO[C@H](CNC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000358198913 370947965 /nfs/dbraw/zinc/94/79/65/370947965.db2.gz QVJYPTAOXGFFSM-JKSUJKDBSA-N 0 3 286.375 2.300 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2ccoc2)CC1 ZINC000358192820 370945482 /nfs/dbraw/zinc/94/54/82/370945482.db2.gz QLWVESLZDGWTMA-UHFFFAOYSA-N 0 3 291.395 2.462 20 30 CEEDHN C[C@@H](C[S@](C)=O)N(C)CCCOc1cccc(C#N)c1 ZINC000185122748 368751419 /nfs/dbraw/zinc/75/14/19/368751419.db2.gz RQBCFJIHNMXSOK-RBZFPXEDSA-N 0 3 294.420 2.026 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H](C)CC(=C)C)CC1 ZINC000185487988 368813783 /nfs/dbraw/zinc/81/37/83/368813783.db2.gz WGRAVVBFTHRTLY-CYBMUJFWSA-N 0 3 250.386 2.355 20 30 CEEDHN C#C[C@@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000185346774 368792260 /nfs/dbraw/zinc/79/22/60/368792260.db2.gz QURCODDMAXDOAY-CYBMUJFWSA-N 0 3 256.349 2.034 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H](C)[C@@H]1CCCOC1 ZINC000348134352 368913227 /nfs/dbraw/zinc/91/32/27/368913227.db2.gz HEKSMAIKIZCPQH-SWLSCSKDSA-N 0 3 274.364 2.472 20 30 CEEDHN C=CCOCCCN1CCN(c2cc(C)ccn2)CC1 ZINC000348036523 368867345 /nfs/dbraw/zinc/86/73/45/368867345.db2.gz PLZQZNSPBORONE-UHFFFAOYSA-N 0 3 275.396 2.105 20 30 CEEDHN C=CCOCCCN(C)Cc1ccc(O)c(OC)c1 ZINC000348057856 368879644 /nfs/dbraw/zinc/87/96/44/368879644.db2.gz UGHITTIIVDNVCU-UHFFFAOYSA-N 0 3 265.353 2.425 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCCS2)cc1 ZINC000348340107 369010573 /nfs/dbraw/zinc/01/05/73/369010573.db2.gz JXIYCXHTJOYBKA-GJZGRUSLSA-N 0 3 299.399 2.252 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000186695019 369022538 /nfs/dbraw/zinc/02/25/38/369022538.db2.gz MXEXUMCCTSHGLK-PWSUYJOCSA-N 0 3 250.298 2.182 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(F)c(OC)c1 ZINC000186715829 369026698 /nfs/dbraw/zinc/02/66/98/369026698.db2.gz XDHDKHVSFDWURH-ZYHUDNBSSA-N 0 3 253.317 2.422 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)CCN(C)C1CC1 ZINC000186729102 369028794 /nfs/dbraw/zinc/02/87/94/369028794.db2.gz CYYDHDDMLJGKFG-UHFFFAOYSA-N 0 3 271.364 2.033 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccoc2)cc1 ZINC000348293316 368987476 /nfs/dbraw/zinc/98/74/76/368987476.db2.gz ZKEAITVHPHHOEM-OAHLLOKOSA-N 0 3 279.299 2.150 20 30 CEEDHN Cc1nc(C)c(C#N)c(SC[C@@H]2CCN(C)C2)n1 ZINC000187678364 369201711 /nfs/dbraw/zinc/20/17/11/369201711.db2.gz WBWQIPGQVPVEGK-LLVKDONJSA-N 0 3 262.382 2.009 20 30 CEEDHN CC[C@H](CO)N1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187705268 369207329 /nfs/dbraw/zinc/20/73/29/369207329.db2.gz UXGRDRGLCDIXIN-WMLDXEAASA-N 0 3 287.407 2.008 20 30 CEEDHN CCC#C[C@@H](C)N1CCC(c2n[nH]c(CC)n2)CC1 ZINC000683039577 541756015 /nfs/dbraw/zinc/75/60/15/541756015.db2.gz VQARRXBVRSGXEH-GFCCVEGCSA-N 0 3 260.385 2.348 20 30 CEEDHN CCC#C[C@@H](C)N1CCC(c2nc(CC)n[nH]2)CC1 ZINC000683039577 541756017 /nfs/dbraw/zinc/75/60/17/541756017.db2.gz VQARRXBVRSGXEH-GFCCVEGCSA-N 0 3 260.385 2.348 20 30 CEEDHN CCC#C[C@H](C)N1CCC(c2n[nH]c(CC)n2)CC1 ZINC000683039578 541756227 /nfs/dbraw/zinc/75/62/27/541756227.db2.gz VQARRXBVRSGXEH-LBPRGKRZSA-N 0 3 260.385 2.348 20 30 CEEDHN CCC#C[C@H](C)N1CCC(c2nc(CC)n[nH]2)CC1 ZINC000683039578 541756228 /nfs/dbraw/zinc/75/62/28/541756228.db2.gz VQARRXBVRSGXEH-LBPRGKRZSA-N 0 3 260.385 2.348 20 30 CEEDHN C[C@]1(CCCO)CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000349196973 369263343 /nfs/dbraw/zinc/26/33/43/369263343.db2.gz VKVXHEKXDAWRGA-QGZVFWFLSA-N 0 3 298.390 2.333 20 30 CEEDHN CN(CCOCC(F)F)Cc1ccc(C#N)cc1 ZINC000188619336 369383737 /nfs/dbraw/zinc/38/37/37/369383737.db2.gz DPKJTAWBSZEQKT-UHFFFAOYSA-N 0 3 254.280 2.272 20 30 CEEDHN C=CCOc1ccccc1CN1CCC(C(=O)NC)CC1 ZINC000349750123 369386117 /nfs/dbraw/zinc/38/61/17/369386117.db2.gz USACDEXGTGTHDI-UHFFFAOYSA-N 0 3 288.391 2.209 20 30 CEEDHN C=CCCCCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635810643 369356492 /nfs/dbraw/zinc/35/64/92/369356492.db2.gz JMZHPSQMELVKGC-AWEZNQCLSA-N 0 3 250.386 2.476 20 30 CEEDHN COc1cc(CN[C@@H]2CC[C@@H](C#N)C2)cc(OC)c1OC ZINC000349831642 369416020 /nfs/dbraw/zinc/41/60/20/369416020.db2.gz UZGXQFKKGMSFKX-DGCLKSJQSA-N 0 3 290.363 2.494 20 30 CEEDHN CC(C)(CCC#N)CNC(=O)NCCN1CCCCC1 ZINC000349882626 369437388 /nfs/dbraw/zinc/43/73/88/369437388.db2.gz TUJCIXZAONCEAP-UHFFFAOYSA-N 0 3 280.416 2.101 20 30 CEEDHN Cc1ccc(C[C@@H](CO)NCc2ccc(C#N)o2)cc1 ZINC000188986003 369438097 /nfs/dbraw/zinc/43/80/97/369438097.db2.gz ASJCOCWMYWFCBV-AWEZNQCLSA-N 0 3 270.332 2.153 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC(CC(N)=O)CC1 ZINC000188984350 369438914 /nfs/dbraw/zinc/43/89/14/369438914.db2.gz FMJBPDDHRJPNRQ-GFCCVEGCSA-N 0 3 271.364 2.207 20 30 CEEDHN COc1ccc(CN(C)C[C@@H]2CCC[C@H]2O)cc1C#N ZINC000246399994 370956212 /nfs/dbraw/zinc/95/62/12/370956212.db2.gz HTUYUXDGCGFYLL-DZGCQCFKSA-N 0 3 274.364 2.160 20 30 CEEDHN CC(=O)NC[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000189341810 369501890 /nfs/dbraw/zinc/50/18/90/369501890.db2.gz VMUCWADSYGDUJV-XJKSGUPXSA-N 0 3 285.391 2.467 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@@H]2C=CCCC2)CC1 ZINC000189277396 369488221 /nfs/dbraw/zinc/48/82/21/369488221.db2.gz RIDNFPHXENAZJM-CQSZACIVSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](C)[C@@H]1C ZINC000246479245 370966714 /nfs/dbraw/zinc/96/67/14/370966714.db2.gz AAHOKCLCWPAUHJ-KGLIPLIRSA-N 0 3 250.386 2.307 20 30 CEEDHN C[C@@]1(O)CCCN(CCOc2ccccc2C#N)CC1 ZINC000230352486 189809788 /nfs/dbraw/zinc/80/97/88/189809788.db2.gz VAHODWBPGDXGMU-MRXNPFEDSA-N 0 3 274.364 2.174 20 30 CEEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)C(=O)N(C)CC)cc1 ZINC000189402493 369510922 /nfs/dbraw/zinc/51/09/22/369510922.db2.gz QVERLXSQJOWYIQ-KBPBESRZSA-N 0 3 288.391 2.216 20 30 CEEDHN CC1(C)CC[C@H](N[C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000350146677 369516921 /nfs/dbraw/zinc/51/69/21/369516921.db2.gz LZCBGKKSJRRWLY-UONOGXRCSA-N 0 3 271.364 2.253 20 30 CEEDHN C=CC[C@H](C(=O)NCCN(C)CC)c1ccccc1 ZINC000189499050 369526733 /nfs/dbraw/zinc/52/67/33/369526733.db2.gz CZUMUPMSHIHPLT-HNNXBMFYSA-N 0 3 260.381 2.414 20 30 CEEDHN CN(CCC(=O)Nc1cccnc1)Cc1ccc(C#N)cc1 ZINC000358283950 370992092 /nfs/dbraw/zinc/99/20/92/370992092.db2.gz BJIMXVPGKXBHFE-UHFFFAOYSA-N 0 3 294.358 2.414 20 30 CEEDHN COCCO[C@H]1CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000190047262 369591639 /nfs/dbraw/zinc/59/16/39/369591639.db2.gz XCDYOYYOZSGXIF-BBRMVZONSA-N 0 3 274.364 2.357 20 30 CEEDHN C=CCN(CCOC)CCC(=O)Nc1ccccc1C ZINC000191131461 369682122 /nfs/dbraw/zinc/68/21/22/369682122.db2.gz QVMMYPWSNLCZNV-UHFFFAOYSA-N 0 3 276.380 2.458 20 30 CEEDHN COCCC[C@@H](Cc1ccccc1)NC(=O)C(C)C#N ZINC000352355551 369687480 /nfs/dbraw/zinc/68/74/80/369687480.db2.gz IGJBUIVRUIIFPC-ZFWWWQNUSA-N 0 3 274.364 2.300 20 30 CEEDHN C=CCCN(C)Cc1cc(=O)n2c(C)csc2n1 ZINC000276481457 193350302 /nfs/dbraw/zinc/35/03/02/193350302.db2.gz SUHFPASZXWHEPL-UHFFFAOYSA-N 0 3 263.366 2.072 20 30 CEEDHN Cc1nnc(CCNCc2cc(C#N)cs2)s1 ZINC000352483112 369751891 /nfs/dbraw/zinc/75/18/91/369751891.db2.gz YFMWPFGNSXCETE-UHFFFAOYSA-N 0 3 264.379 2.112 20 30 CEEDHN CC#CCCNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000637058943 369805569 /nfs/dbraw/zinc/80/55/69/369805569.db2.gz SPSBCOYNRJWFOH-KRWDZBQOSA-N 0 3 299.418 2.282 20 30 CEEDHN N#CCSCCCN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352669576 369826230 /nfs/dbraw/zinc/82/62/30/369826230.db2.gz AYYFKZJKIZDEHJ-MNOVXSKESA-N 0 3 296.358 2.126 20 30 CEEDHN CN(C)c1ncccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000192666537 369839478 /nfs/dbraw/zinc/83/94/78/369839478.db2.gz JLDQXEBCVKHBTD-OCCSQVGLSA-N 0 3 258.369 2.320 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H](CO)C1CCCC1 ZINC000352704450 369847058 /nfs/dbraw/zinc/84/70/58/369847058.db2.gz FPMDWUSSCJLKAC-OAHLLOKOSA-N 0 3 274.364 2.208 20 30 CEEDHN COc1ccnc(NC2CCN(CCCCC#N)CC2)n1 ZINC000192871720 369865302 /nfs/dbraw/zinc/86/53/02/369865302.db2.gz UKQVQQLBIWCMDE-UHFFFAOYSA-N 0 3 289.383 2.055 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H]1CSC[C@@H]1C ZINC000352815201 369892446 /nfs/dbraw/zinc/89/24/46/369892446.db2.gz KPZPTEHNAYSQCM-GXFFZTMASA-N 0 3 262.378 2.408 20 30 CEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NCc1nc(C#N)cs1 ZINC000352856485 369916018 /nfs/dbraw/zinc/91/60/18/369916018.db2.gz XBZUMZICWLQKOH-XQQFMLRXSA-N 0 3 292.452 2.471 20 30 CEEDHN N#Cc1cc(C(=O)N2CCCN(C3CCCC3)CC2)ccn1 ZINC000193316670 369925696 /nfs/dbraw/zinc/92/56/96/369925696.db2.gz QSMJJRQDLXLSPC-UHFFFAOYSA-N 0 3 298.390 2.044 20 30 CEEDHN C=CCCCCCN1CCN(c2cnn(C)c2)CC1 ZINC000193367178 369933367 /nfs/dbraw/zinc/93/33/67/369933367.db2.gz WKJBKIPMTFYRGJ-UHFFFAOYSA-N 0 3 262.401 2.289 20 30 CEEDHN CC(C)(C)[C@@H]1NC(=O)CC[C@@H]1NCc1cccc(C#N)c1 ZINC000353123765 370027189 /nfs/dbraw/zinc/02/71/89/370027189.db2.gz XNABWNSKHUTZLM-GOEBONIOSA-N 0 3 285.391 2.341 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)Cc1c(F)cccc1C#N ZINC000354200307 370258024 /nfs/dbraw/zinc/25/80/24/370258024.db2.gz MWZFKJPZMCHZSY-UHFFFAOYSA-N 0 3 291.370 2.038 20 30 CEEDHN COc1ccc(C#N)cc1CNC(C)(C)C(C)(C)O ZINC000227343976 370368622 /nfs/dbraw/zinc/36/86/22/370368622.db2.gz AEBUFBYFRWRCDI-UHFFFAOYSA-N 0 3 262.353 2.206 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H]1CCO[C@@H]1C1CC1 ZINC000234851424 370545755 /nfs/dbraw/zinc/54/57/55/370545755.db2.gz BKWRYPSIRRJHQR-GOEBONIOSA-N 0 3 272.348 2.224 20 30 CEEDHN CC#CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000355159751 370527226 /nfs/dbraw/zinc/52/72/26/370527226.db2.gz BSAFQXLDZNDXNP-DOTOQJQBSA-N 0 3 299.418 2.362 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CCCc2cccc(CN)c21 ZINC000638545580 370602604 /nfs/dbraw/zinc/60/26/04/370602604.db2.gz XGSHGHDFVBIHBE-ZDUSSCGKSA-N 0 3 288.391 2.406 20 30 CEEDHN CCCN(C)CC(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000355571018 370604099 /nfs/dbraw/zinc/60/40/99/370604099.db2.gz FHNKSFCTCYHKDK-ZDUSSCGKSA-N 0 3 279.771 2.363 20 30 CEEDHN CN(C)CCOC1CCN(c2ccc(C#N)cc2F)CC1 ZINC000356228968 370629754 /nfs/dbraw/zinc/62/97/54/370629754.db2.gz TZFZCSLLIBZUDH-UHFFFAOYSA-N 0 3 291.370 2.244 20 30 CEEDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(CC(=O)N(CCC#N)CCC#N)C1 ZINC000355781772 370614468 /nfs/dbraw/zinc/61/44/68/370614468.db2.gz KUKWVRIIVAIFSE-RBSFLKMASA-N 0 3 290.411 2.009 20 30 CEEDHN C[C@H]1CCCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000358384105 371042073 /nfs/dbraw/zinc/04/20/73/371042073.db2.gz LNJODTOLVQRSDG-WFASDCNBSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@@H]1CCCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000358384102 371042550 /nfs/dbraw/zinc/04/25/50/371042550.db2.gz LNJODTOLVQRSDG-DOMZBBRYSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@H](CC(C)C)C1 ZINC000247353178 371097792 /nfs/dbraw/zinc/09/77/92/371097792.db2.gz HBWCDJJBIPKLCB-ZIAGYGMSSA-N 0 3 252.402 2.435 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)CN(C)C ZINC000358503329 371095005 /nfs/dbraw/zinc/09/50/05/371095005.db2.gz QBONYLGUPSWTPP-CYBMUJFWSA-N 0 3 293.386 2.473 20 30 CEEDHN CCOC[C@@H](O)CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000247476628 371113348 /nfs/dbraw/zinc/11/33/48/371113348.db2.gz SFQGZBGLCLNSBR-CJNGLKHVSA-N 0 3 276.380 2.339 20 30 CEEDHN C=CCCCCCNCc1ccc(S(N)(=O)=O)s1 ZINC000639309857 371215511 /nfs/dbraw/zinc/21/55/11/371215511.db2.gz GLJXJMKQKOZEAP-UHFFFAOYSA-N 0 3 288.438 2.232 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN1CCC[C@H]1C1CCCC1)C1CC1 ZINC000249765940 371361010 /nfs/dbraw/zinc/36/10/10/371361010.db2.gz PIPOQFSPERRUER-RDJZCZTQSA-N 0 3 289.423 2.449 20 30 CEEDHN C=CCN(CCC(=O)NCc1cnc(C)s1)C1CC1 ZINC000639559615 371407856 /nfs/dbraw/zinc/40/78/56/371407856.db2.gz RSWXNFJVVACJTR-UHFFFAOYSA-N 0 3 279.409 2.108 20 30 CEEDHN CN(C[C@@H](O)c1ccc(C#N)cc1)C[C@H]1CCCCO1 ZINC000250424729 371384474 /nfs/dbraw/zinc/38/44/74/371384474.db2.gz PXCVXFNANKXTBQ-HZPDHXFCSA-N 0 3 274.364 2.093 20 30 CEEDHN C[C@H](CNc1ncccc1C#N)N1CCC[C@H](C)C1 ZINC000252137429 371433403 /nfs/dbraw/zinc/43/34/03/371433403.db2.gz LRJPSOHTJORHCT-QWHCGFSZSA-N 0 3 258.369 2.486 20 30 CEEDHN CC#CCCN1CCC(C(=O)OC(C)(C)C)CC1 ZINC000360457885 371516331 /nfs/dbraw/zinc/51/63/31/371516331.db2.gz WVGRGOHSNLEXCQ-UHFFFAOYSA-N 0 3 251.370 2.454 20 30 CEEDHN C[C@H](CCN[C@@H](C)c1cccc(C#N)c1)[S@](C)=O ZINC000253624990 371534051 /nfs/dbraw/zinc/53/40/51/371534051.db2.gz WKHWSWXRTYTGLD-SOZUMNATSA-N 0 3 264.394 2.366 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C\c2ccccc2)CC1 ZINC000255365919 371581808 /nfs/dbraw/zinc/58/18/08/371581808.db2.gz AODQAQTWYBCRLE-HJWRWDBZSA-N 0 3 270.376 2.466 20 30 CEEDHN C=CCOCCN(CC)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639824838 371600308 /nfs/dbraw/zinc/60/03/08/371600308.db2.gz KSJGVDNGXLWCCY-GFCCVEGCSA-N 0 3 280.334 2.148 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(c2ccc(F)cn2)CC1 ZINC000639873930 371630064 /nfs/dbraw/zinc/63/00/64/371630064.db2.gz JKNXYMRSXMBUFQ-HNNXBMFYSA-N 0 3 264.344 2.337 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000640063768 371780775 /nfs/dbraw/zinc/78/07/75/371780775.db2.gz KTCUVLPYILXLIN-SKDRFNHKSA-N 0 3 262.309 2.121 20 30 CEEDHN CCN(Cc1cc(C#N)ccc1OC)C[C@@H](C)OC ZINC000361564042 371927851 /nfs/dbraw/zinc/92/78/51/371927851.db2.gz KSIWBLPWZIQIQT-GFCCVEGCSA-N 0 3 262.353 2.424 20 30 CEEDHN Cc1ccc(O)c(CNCc2ccc(OCC#N)cc2)n1 ZINC000264229783 371989163 /nfs/dbraw/zinc/98/91/63/371989163.db2.gz ABWHMGVOEDJCIF-UHFFFAOYSA-N 0 3 283.331 2.288 20 30 CEEDHN CCCN1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000361693943 372027101 /nfs/dbraw/zinc/02/71/01/372027101.db2.gz VTAGGBWEXLBWLB-UHFFFAOYSA-N 0 3 261.344 2.225 20 30 CEEDHN C=CCN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640561533 372037587 /nfs/dbraw/zinc/03/75/87/372037587.db2.gz JGGVUDUNLPHAIY-RYUDHWBXSA-N 0 3 259.271 2.297 20 30 CEEDHN CCN1C[C@H](C)N(CC#Cc2ccccc2)C[C@H]1C ZINC000361865288 372106683 /nfs/dbraw/zinc/10/66/83/372106683.db2.gz MKEAUALRZJLPKM-CVEARBPZSA-N 0 3 256.393 2.453 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(C)c(C)c1 ZINC000268849202 372253746 /nfs/dbraw/zinc/25/37/46/372253746.db2.gz XRUSWTUGYGXPJL-AWEZNQCLSA-N 0 3 258.365 2.094 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)NCC#Cc1ccccc1 ZINC000269728731 372549922 /nfs/dbraw/zinc/54/99/22/372549922.db2.gz UPONQSMYKMIRGO-UHFFFAOYSA-N 0 3 287.407 2.020 20 30 CEEDHN C#CC[C@H](C)NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000363964379 372653235 /nfs/dbraw/zinc/65/32/35/372653235.db2.gz NVAWQFMWCDSWAZ-YQQAZPJKSA-N 0 3 299.418 2.360 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cc(C)c2ncccc2c1 ZINC000641766677 372703604 /nfs/dbraw/zinc/70/36/04/372703604.db2.gz AFFXVRUEBWIOSG-INIZCTEOSA-N 0 3 268.360 2.407 20 30 CEEDHN CC#CC[C@H](CO)NCc1cnn(-c2ccccc2C)c1 ZINC000641766902 372706388 /nfs/dbraw/zinc/70/63/88/372706388.db2.gz DLUNZVWXAGYGMF-MRXNPFEDSA-N 0 3 283.375 2.045 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H](CO)CC#CC ZINC000641768588 372710622 /nfs/dbraw/zinc/71/06/22/372710622.db2.gz CTFHGHBYNVNGFA-OAHLLOKOSA-N 0 3 259.349 2.115 20 30 CEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)N(CC#N)C2CCCC2)C1 ZINC000365821055 372947544 /nfs/dbraw/zinc/94/75/44/372947544.db2.gz TUBMFLYOMLEXMT-INIZCTEOSA-N 0 3 295.402 2.494 20 30 CEEDHN C#CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000270805805 372959339 /nfs/dbraw/zinc/95/93/39/372959339.db2.gz VMSTVPBOTIQFMB-INIZCTEOSA-N 0 3 270.376 2.133 20 30 CEEDHN N#Cc1ccc(OC2CCN(CCn3ccnc3)CC2)cc1 ZINC000270921163 373016533 /nfs/dbraw/zinc/01/65/33/373016533.db2.gz VGMUJIVIKFHPDH-UHFFFAOYSA-N 0 3 296.374 2.298 20 30 CEEDHN COc1ccc(CN2CCN(C)CC2(C)C)cc1C#N ZINC000271052767 373092294 /nfs/dbraw/zinc/09/22/94/373092294.db2.gz QHFLZAKRLRDIDG-UHFFFAOYSA-N 0 3 273.380 2.093 20 30 CEEDHN C[C@@H](N[C@@H](C)CN1CCCC1=O)c1ccc(C#N)c(F)c1 ZINC000271927277 373218853 /nfs/dbraw/zinc/21/88/53/373218853.db2.gz JPBLCASGZQCTQI-NWDGAFQWSA-N 0 3 289.354 2.359 20 30 CEEDHN CS[C@H](CO)[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271937706 373225308 /nfs/dbraw/zinc/22/53/08/373225308.db2.gz KOBAFTABDFSMAL-ISTVAULSSA-N 0 3 282.384 2.460 20 30 CEEDHN C=CCn1cc(CN[C@@H](C)Cc2cccs2)nn1 ZINC000643902246 373300401 /nfs/dbraw/zinc/30/04/01/373300401.db2.gz AHRFIIPAWGGOLA-NSHDSACASA-N 0 3 262.382 2.246 20 30 CEEDHN COCCN(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272244890 373381795 /nfs/dbraw/zinc/38/17/95/373381795.db2.gz HDPXXDSPOANSCP-UHFFFAOYSA-N 0 3 284.363 2.037 20 30 CEEDHN CC[C@@H](O)CNCC#Cc1cccc(C(F)(F)F)c1 ZINC000644515293 373505065 /nfs/dbraw/zinc/50/50/65/373505065.db2.gz AINDJJIHCOFIEQ-CYBMUJFWSA-N 0 3 271.282 2.417 20 30 CEEDHN C=CCOCCN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000272514268 373527242 /nfs/dbraw/zinc/52/72/42/373527242.db2.gz GRVKQUWOHKHNOB-GFCCVEGCSA-N 0 3 262.353 2.498 20 30 CEEDHN COC[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)OC ZINC000272653535 373601499 /nfs/dbraw/zinc/60/14/99/373601499.db2.gz GBUMUOKZQUCHLF-GXFFZTMASA-N 0 3 266.316 2.009 20 30 CEEDHN C=CCS(=O)(=O)CCNC1CC(c2ccc(C)cc2)C1 ZINC000272918836 373710774 /nfs/dbraw/zinc/71/07/74/373710774.db2.gz JINDIQLAIKNHTF-UHFFFAOYSA-N 0 3 293.432 2.431 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H](CC)Cc1ccccc1 ZINC000272885336 373694031 /nfs/dbraw/zinc/69/40/31/373694031.db2.gz RKUJPKKPVOKMFR-HNNXBMFYSA-N 0 3 281.421 2.198 20 30 CEEDHN C=CCS(=O)(=O)CCNC1CC(c2ccccc2C)C1 ZINC000272935637 373722317 /nfs/dbraw/zinc/72/23/17/373722317.db2.gz LDDRQGJQPHMMIK-UHFFFAOYSA-N 0 3 293.432 2.431 20 30 CEEDHN C=CCCCCN[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000274508039 373946970 /nfs/dbraw/zinc/94/69/70/373946970.db2.gz MFCLONQBIOOPEO-AWEZNQCLSA-N 0 3 264.344 2.168 20 30 CEEDHN C=C(C)CN(CC)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000371733507 373962040 /nfs/dbraw/zinc/96/20/40/373962040.db2.gz VRAJOQAEWVTKHH-UHFFFAOYSA-N 0 3 294.439 2.446 20 30 CEEDHN C=CCNC(=O)CN1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000371754630 373970572 /nfs/dbraw/zinc/97/05/72/373970572.db2.gz HGSAFSNFDOYMPQ-ZBFHGGJFSA-N 0 3 272.392 2.414 20 30 CEEDHN CC#CC[C@@H](CO)Nc1c(C)c(C)nc2ccccc21 ZINC000645405665 374034091 /nfs/dbraw/zinc/03/40/91/374034091.db2.gz GCUCZUJPZLKOGA-AWEZNQCLSA-N 0 3 268.360 2.460 20 30 CEEDHN N#Cc1ccc(CN2CCCC[C@@H]2C(=N)NO)c(F)c1 ZINC000374171078 374504732 /nfs/dbraw/zinc/50/47/32/374504732.db2.gz DHABFIIBVXVQTA-CYBMUJFWSA-N 0 3 276.315 2.008 20 30 CEEDHN Cn1ccnc1[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000334180976 206156055 /nfs/dbraw/zinc/15/60/55/206156055.db2.gz DSHHAIJGAFQCAD-HNNXBMFYSA-N 0 3 266.348 2.281 20 30 CEEDHN C=CCCC[NH+]1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000277635753 374587913 /nfs/dbraw/zinc/58/79/13/374587913.db2.gz BSQXOTJRXPKYMM-UHFFFAOYSA-N 0 3 292.383 2.127 20 30 CEEDHN C=CCCC[NH+]1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000277635753 374587918 /nfs/dbraw/zinc/58/79/18/374587918.db2.gz BSQXOTJRXPKYMM-UHFFFAOYSA-N 0 3 292.383 2.127 20 30 CEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(C#N)s1 ZINC000334219525 206210170 /nfs/dbraw/zinc/21/01/70/206210170.db2.gz FUMAYPKELHZVPP-VXGBXAGGSA-N 0 3 289.404 2.319 20 30 CEEDHN N#Cc1cccc(C(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000277755584 374632769 /nfs/dbraw/zinc/63/27/69/374632769.db2.gz CJVGZUHVJUVTJJ-INIZCTEOSA-N 0 3 283.375 2.305 20 30 CEEDHN Cc1csc2c1CN(CCC(=O)N(C)CCC#N)CC2 ZINC000374834806 374633712 /nfs/dbraw/zinc/63/37/12/374633712.db2.gz BLIAZCHNZXZJSH-UHFFFAOYSA-N 0 3 291.420 2.177 20 30 CEEDHN C=C(C)CN1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000374617138 374613482 /nfs/dbraw/zinc/61/34/82/374613482.db2.gz AYHCYWMFTZBTIZ-ZDUSSCGKSA-N 0 3 262.353 2.298 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000376061660 374694938 /nfs/dbraw/zinc/69/49/38/374694938.db2.gz KGTJGTGKJAFDOT-MUQADHOPSA-N 0 3 297.402 2.173 20 30 CEEDHN C[C@@]1(NCC(=O)Nc2cccc(C#N)c2)CCO[C@@H]1C1CC1 ZINC000376863447 374746638 /nfs/dbraw/zinc/74/66/38/374746638.db2.gz CUWLZKHJPBBSPU-IAGOWNOFSA-N 0 3 299.374 2.044 20 30 CEEDHN N#Cc1ccc2c(c1)N(C(=O)C1CCN(C3CC3)CC1)CC2 ZINC000278288532 374770032 /nfs/dbraw/zinc/77/00/32/374770032.db2.gz CLXFZWQGTAESJZ-UHFFFAOYSA-N 0 3 295.386 2.322 20 30 CEEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H]2CCC[C@@H]2C)c(C#N)c1C ZINC000279363009 374848452 /nfs/dbraw/zinc/84/84/52/374848452.db2.gz WJSJPPBRAGWGOT-TVQRCGJNSA-N 0 3 275.352 2.485 20 30 CEEDHN CC[C@@H]1[C@@H](CO)CCN1Cc1cc(C#N)ccc1OC ZINC000385623510 375236818 /nfs/dbraw/zinc/23/68/18/375236818.db2.gz HOFIPYWSIWMPTP-UKRRQHHQSA-N 0 3 274.364 2.160 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N(C)CCCOCc1ccccc1 ZINC000281574245 375388949 /nfs/dbraw/zinc/38/89/49/375388949.db2.gz ZGAHVLYAXICDNR-OAHLLOKOSA-N 0 3 290.407 2.216 20 30 CEEDHN C[C@@H]1CN(CCCC#N)CCN1Cc1ccccc1 ZINC000396587001 375334947 /nfs/dbraw/zinc/33/49/47/375334947.db2.gz VUMOHLFYABSLPZ-OAHLLOKOSA-N 0 3 257.381 2.496 20 30 CEEDHN C=CC[C@@H](CC)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000280988599 375348077 /nfs/dbraw/zinc/34/80/77/375348077.db2.gz IWGNYOJLJQLBRD-CHWSQXEVSA-N 0 3 250.317 2.296 20 30 CEEDHN C=CCC(CC=C)C(=O)NC1(CN(C)C)CCC1 ZINC000281067016 375351276 /nfs/dbraw/zinc/35/12/76/375351276.db2.gz MHGNSOSTUWPADK-UHFFFAOYSA-N 0 3 250.386 2.355 20 30 CEEDHN CNC(=O)[C@@]1(C)CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000281180288 375360974 /nfs/dbraw/zinc/36/09/74/375360974.db2.gz QSRSDUWLIRXHPW-INIZCTEOSA-N 0 3 290.794 2.150 20 30 CEEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(-n2cnnn2)cc1 ZINC000414173351 375800535 /nfs/dbraw/zinc/80/05/35/375800535.db2.gz WWKPEGKALACHFF-GFCCVEGCSA-N 0 3 284.367 2.253 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@@H]3C[C@H]3c3ccco3)n2c1 ZINC000414575007 375864861 /nfs/dbraw/zinc/86/48/61/375864861.db2.gz DZBIPLWKSIKLJD-ZIAGYGMSSA-N 0 3 278.315 2.445 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418427673 376315140 /nfs/dbraw/zinc/31/51/40/376315140.db2.gz LIQBKPWSZZKSCC-CQSZACIVSA-N 0 3 259.353 2.070 20 30 CEEDHN N#Cc1cc(NC[C@H]2CCCCN2C2CC2)ccn1 ZINC000287952399 376349389 /nfs/dbraw/zinc/34/93/89/376349389.db2.gz YNKGTWXCNXHLHU-OAHLLOKOSA-N 0 3 256.353 2.382 20 30 CEEDHN COc1cc(CN(C)[C@H]2C[C@@H](OC)C2)ccc1C#N ZINC000289579925 376407953 /nfs/dbraw/zinc/40/79/53/376407953.db2.gz TYKSLXOYNVNYHO-OKILXGFUSA-N 0 3 260.337 2.176 20 30 CEEDHN C#C[C@H](C)N[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000289537521 376399193 /nfs/dbraw/zinc/39/91/93/376399193.db2.gz QGZRCKJCCTXLSD-RYUDHWBXSA-N 0 3 290.363 2.032 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419391263 376449107 /nfs/dbraw/zinc/44/91/07/376449107.db2.gz JKYQFZJCKMMAAW-MJBXVCDLSA-N 0 3 250.386 2.163 20 30 CEEDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(F)c(C#N)c1 ZINC000334290609 206316674 /nfs/dbraw/zinc/31/66/74/206316674.db2.gz CKAXTSALQQMXFN-FZMZJTMJSA-N 0 3 287.338 2.006 20 30 CEEDHN CC1(C)[C@H](NCc2ccc(C#N)cn2)[C@H]2CCCO[C@H]21 ZINC000558235763 376598637 /nfs/dbraw/zinc/59/86/37/376598637.db2.gz NMQFDELBNDUUBN-RBSFLKMASA-N 0 3 271.364 2.246 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCN1C ZINC000264292069 190102391 /nfs/dbraw/zinc/10/23/91/190102391.db2.gz ZEOYWRKOKUKPHF-CYBMUJFWSA-N 0 3 272.352 2.082 20 30 CEEDHN C=C1CCN(C[C@H](O)COCc2ccccc2F)CC1 ZINC000264507984 190114810 /nfs/dbraw/zinc/11/48/10/190114810.db2.gz DURWZYUKBDDRQW-HNNXBMFYSA-N 0 3 279.355 2.355 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1C[C@@H](O)C1 ZINC000560346627 376735376 /nfs/dbraw/zinc/73/53/76/376735376.db2.gz JYWOBLQNQOXPEB-LZWOXQAQSA-N 0 3 256.349 2.439 20 30 CEEDHN C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCCN1CCOCCC#N ZINC000420929615 376742345 /nfs/dbraw/zinc/74/23/45/376742345.db2.gz QZUBOSFBOQNZKC-ZIAGYGMSSA-N 0 3 296.411 2.359 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccc([N+](=O)[O-])cc1F ZINC000320601448 376825789 /nfs/dbraw/zinc/82/57/89/376825789.db2.gz CLELHVGYDYFUPD-LLVKDONJSA-N 0 3 268.288 2.151 20 30 CEEDHN Cc1nc[nH]c1CNC(=O)C1CCN(C2CC2)CC1 ZINC000328791578 376899580 /nfs/dbraw/zinc/89/95/80/376899580.db2.gz ZIVWQBWLOFBVQN-UHFFFAOYSA-N 0 3 262.357 2.049 20 30 CEEDHN C[C@@H](C#N)C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000323941558 376837635 /nfs/dbraw/zinc/83/76/35/376837635.db2.gz UDFDWHRIQCHJAT-GJZGRUSLSA-N 0 3 285.391 2.127 20 30 CEEDHN C#CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000290909929 376979566 /nfs/dbraw/zinc/97/95/66/376979566.db2.gz DIDJHMLAPMNLJD-DOTOQJQBSA-N 0 3 299.418 2.314 20 30 CEEDHN CCCN(CCN1CCOCC1)Cc1ccc(C#N)cc1 ZINC000264691092 190129452 /nfs/dbraw/zinc/12/94/52/190129452.db2.gz HKFSLMJSQFTEHX-UHFFFAOYSA-N 0 3 287.407 2.102 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1ccc(OC)nc1 ZINC000330662885 377197046 /nfs/dbraw/zinc/19/70/46/377197046.db2.gz DSXHATPECWXPLL-ZDUSSCGKSA-N 0 3 277.368 2.269 20 30 CEEDHN C[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCO1 ZINC000330663456 377198031 /nfs/dbraw/zinc/19/80/31/377198031.db2.gz XHBLVRJOQQAABB-ZFWWWQNUSA-N 0 3 272.348 2.006 20 30 CEEDHN CCc1ccc(C#CC(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000292449948 377247898 /nfs/dbraw/zinc/24/78/98/377247898.db2.gz AJEVURIIWBOSTJ-UHFFFAOYSA-N 0 3 296.414 2.344 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H]1CCC[C@]1(C)CO ZINC000331177123 377315460 /nfs/dbraw/zinc/31/54/60/377315460.db2.gz PXPRRNCXPFHOSU-JKSUJKDBSA-N 0 3 274.364 2.208 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000424658624 377280612 /nfs/dbraw/zinc/28/06/12/377280612.db2.gz FCQFDZACYBTHDD-CYBMUJFWSA-N 0 3 250.386 2.284 20 30 CEEDHN C#CCN(C)CCCNc1cc(C)nc(-c2cccnc2)n1 ZINC000292837943 377307744 /nfs/dbraw/zinc/30/77/44/377307744.db2.gz QGACPQKZXPWNFS-UHFFFAOYSA-N 0 3 295.390 2.214 20 30 CEEDHN C[C@@H](CCC#N)N(C)CCCN1C(=O)c2ccccc2C1=O ZINC000425550620 377372003 /nfs/dbraw/zinc/37/20/03/377372003.db2.gz NFQNYJQKODVYDA-ZDUSSCGKSA-N 0 3 299.374 2.297 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)[C@@H]1CCCC[C@H]1O ZINC000426272251 377396343 /nfs/dbraw/zinc/39/63/43/377396343.db2.gz WCQKFZBURIHBFU-RBSFLKMASA-N 0 3 282.428 2.035 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000427796937 377448908 /nfs/dbraw/zinc/44/89/08/377448908.db2.gz ABYWFZLEIFEPBI-LBPRGKRZSA-N 0 3 290.338 2.493 20 30 CEEDHN CCN(C(=O)C(C#N)CCc1ccccc1)[C@@H]1CCOC1 ZINC000428564213 377495940 /nfs/dbraw/zinc/49/59/40/377495940.db2.gz DOHFDBBFLKFVOY-HZPDHXFCSA-N 0 3 286.375 2.396 20 30 CEEDHN C[C@H]1CC[C@H](N(C)CC(=O)NCc2cccc(C#N)c2)C1 ZINC000429575992 377517440 /nfs/dbraw/zinc/51/74/40/377517440.db2.gz FMMUERJWZFUAMM-BBRMVZONSA-N 0 3 285.391 2.295 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1nccn1C(F)F ZINC000429713686 377520230 /nfs/dbraw/zinc/52/02/30/377520230.db2.gz JJTXTDVCBBXGCT-UHFFFAOYSA-N 0 3 272.343 2.218 20 30 CEEDHN C=C(C)CN(CC)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000265155594 190161653 /nfs/dbraw/zinc/16/16/53/190161653.db2.gz UPALGOSXLLPUAJ-SNVBAGLBSA-N 0 3 264.291 2.048 20 30 CEEDHN CC[C@@H](C(=O)NCc1cccc(C#N)c1)N(CC)CC ZINC000265637393 190195720 /nfs/dbraw/zinc/19/57/20/190195720.db2.gz UVZYBAIVTVKNDT-HNNXBMFYSA-N 0 3 273.380 2.295 20 30 CEEDHN CCn1cc([C@@H](C)NC[C@H](O)c2ccc(C#N)cc2)cn1 ZINC000295927477 249368872 /nfs/dbraw/zinc/36/88/72/249368872.db2.gz FTLVRRPBFPOCOT-WBMJQRKESA-N 0 3 284.363 2.159 20 30 CEEDHN C[C@H](CC#N)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000431774569 377670731 /nfs/dbraw/zinc/67/07/31/377670731.db2.gz SUZPKKKKVQWJTR-OCCSQVGLSA-N 0 3 259.353 2.098 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H]2[C@@H]2CCCOC2)nc1 ZINC000565370722 377653215 /nfs/dbraw/zinc/65/32/15/377653215.db2.gz KLJMRQCQJUXOBA-ZBFHGGJFSA-N 0 3 271.364 2.344 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000565770767 377697023 /nfs/dbraw/zinc/69/70/23/377697023.db2.gz LAABIPSJEZNGLN-MJBXVCDLSA-N 0 3 292.427 2.098 20 30 CEEDHN C=CCC(C)(C)CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000432098887 377713528 /nfs/dbraw/zinc/71/35/28/377713528.db2.gz OVKTXZNRYPPISF-LBPRGKRZSA-N 0 3 267.417 2.371 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)[C@@]2(C#N)CC23CCCC3)CCN1C ZINC000333536198 377777469 /nfs/dbraw/zinc/77/74/69/377777469.db2.gz KCGLCXZLGCPQBH-WWGRRREGSA-N 0 3 275.396 2.059 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCC(F)(F)F ZINC000433232697 377782027 /nfs/dbraw/zinc/78/20/27/377782027.db2.gz MSGLTAWYMUTETQ-LLVKDONJSA-N 0 3 270.254 2.437 20 30 CEEDHN CCCN(CC(=O)NC1(C#N)CCCCC1)C(C)C ZINC000566687327 377765115 /nfs/dbraw/zinc/76/51/15/377765115.db2.gz KDRCYLPDOGJNMN-UHFFFAOYSA-N 0 3 265.401 2.449 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccoc1C(=O)OC ZINC000437252300 377838561 /nfs/dbraw/zinc/83/85/61/377838561.db2.gz FDVMLJIZGKCNDD-DGCLKSJQSA-N 0 3 279.336 2.137 20 30 CEEDHN COC[C@]1(C)CCN(CCOc2ccc(C#N)cc2)C1 ZINC000294135749 377915335 /nfs/dbraw/zinc/91/53/35/377915335.db2.gz FXFHAKZYBWKERD-MRXNPFEDSA-N 0 3 274.364 2.295 20 30 CEEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)C(=O)N1Cc2ccccc2C1 ZINC000442848391 378007559 /nfs/dbraw/zinc/00/75/59/378007559.db2.gz AXNGNENDPAQUGQ-DVOMOZLQSA-N 0 3 283.375 2.199 20 30 CEEDHN CCOC(=O)c1csc(CCN[C@@H]2CC[C@@H](C#N)C2)n1 ZINC000442862029 378009955 /nfs/dbraw/zinc/00/99/55/378009955.db2.gz VDQXIQLTHATIRB-GHMZBOCLSA-N 0 3 293.392 2.144 20 30 CEEDHN C#CCOc1ccc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)cc1 ZINC000294685671 378010168 /nfs/dbraw/zinc/01/01/68/378010168.db2.gz AEQMIKLHZQLZLT-XJKCOSOUSA-N 0 3 259.349 2.354 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@@H](CN2CCOCC2)c2ccccc2)C1 ZINC000442635870 377974560 /nfs/dbraw/zinc/97/45/60/377974560.db2.gz KLIDSUPPHPSFGJ-NXHRZFHOSA-N 0 3 299.418 2.342 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc3c([nH]2)CCCC3)CC1 ZINC000294490638 377990625 /nfs/dbraw/zinc/99/06/25/377990625.db2.gz DWLPATHANJDEAM-UHFFFAOYSA-N 0 3 287.407 2.274 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCCCC(C)(C)C1 ZINC000446086581 378085010 /nfs/dbraw/zinc/08/50/10/378085010.db2.gz ZUVVMSRQRZJNBV-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN CC(C)[C@@H]1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000446731664 378085794 /nfs/dbraw/zinc/08/57/94/378085794.db2.gz KDTCCEAQPXBTCH-HIFRSBDPSA-N 0 3 265.401 2.019 20 30 CEEDHN C=CC[C@@H]1N(C(=O)C(C)S(C)(=O)=O)CCCC1(C)C ZINC000443872296 378074710 /nfs/dbraw/zinc/07/47/10/378074710.db2.gz ZQNAWLIIJBJWSI-RYUDHWBXSA-N 0 3 287.425 2.013 20 30 CEEDHN C[C@H]1CCN(CCCCC(C)(C)C#N)[C@H](C(N)=O)C1 ZINC000444666475 378078922 /nfs/dbraw/zinc/07/89/22/378078922.db2.gz BARLBLULVKOMRK-STQMWFEESA-N 0 3 265.401 2.292 20 30 CEEDHN C#CCN(C)CCCN[C@@H](C)c1nc2ccccc2n1C ZINC000294889971 378026509 /nfs/dbraw/zinc/02/65/09/378026509.db2.gz DWQGHAOJKDCGEG-AWEZNQCLSA-N 0 3 284.407 2.179 20 30 CEEDHN C=C[C@H](C)NC(=O)Nc1ccccc1CCN(C)C ZINC000446591485 378086802 /nfs/dbraw/zinc/08/68/02/378086802.db2.gz SJAUIGHPVWINQK-LBPRGKRZSA-N 0 3 261.369 2.487 20 30 CEEDHN CC1(C)C[C@H](O)CCN(CCOc2cccc(C#N)c2)C1 ZINC000295297546 378091774 /nfs/dbraw/zinc/09/17/74/378091774.db2.gz HCUNSKFEVJEBLY-OAHLLOKOSA-N 0 3 288.391 2.420 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@]1(C#N)C[C@H]1C)C(C)C ZINC000448977558 378196108 /nfs/dbraw/zinc/19/61/08/378196108.db2.gz YUIUIXRHCKDFIJ-BFYDXBDKSA-N 0 3 289.423 2.351 20 30 CEEDHN C=CCCCC[C@H](C)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000449154877 378199085 /nfs/dbraw/zinc/19/90/85/378199085.db2.gz JSJXUFHERRXLSU-DZGCQCFKSA-N 0 3 290.411 2.250 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)NCCCCC#N ZINC000447969672 378166108 /nfs/dbraw/zinc/16/61/08/378166108.db2.gz YEVOKPSZSRKZDU-ZDUSSCGKSA-N 0 3 280.416 2.100 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000448703565 378180060 /nfs/dbraw/zinc/18/00/60/378180060.db2.gz BYBXQWSYPFKERM-STQMWFEESA-N 0 3 252.402 2.435 20 30 CEEDHN C=CCC[C@H](CO)NCc1cc(-c2ccccc2)n[nH]1 ZINC000449700706 378222476 /nfs/dbraw/zinc/22/24/76/378222476.db2.gz URUJLKUXWIJRHY-CQSZACIVSA-N 0 3 271.364 2.493 20 30 CEEDHN C=CC(C)(C)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000449936293 378246922 /nfs/dbraw/zinc/24/69/22/378246922.db2.gz VODHPEWDSHTPCD-UHFFFAOYSA-N 0 3 286.419 2.414 20 30 CEEDHN C[C@@H](CO)[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC000295858863 378332314 /nfs/dbraw/zinc/33/23/14/378332314.db2.gz YBSYJSRHMCRFAZ-RYUDHWBXSA-N 0 3 251.757 2.298 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)CC1 ZINC000266080600 190229033 /nfs/dbraw/zinc/22/90/33/190229033.db2.gz GURZEZYVMOEIFE-QZTJIDSGSA-N 0 3 296.414 2.079 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@H]1C[C@@H](OCC)C12CCC2 ZINC000296336156 378495637 /nfs/dbraw/zinc/49/56/37/378495637.db2.gz RADGPOIZYMBOKR-LSDHHAIUSA-N 0 3 292.423 2.124 20 30 CEEDHN C#CCOc1ccccc1CNC[C@](C)(O)c1ccco1 ZINC000266138629 190233734 /nfs/dbraw/zinc/23/37/34/190233734.db2.gz GKPMPXLPDDRYTE-KRWDZBQOSA-N 0 3 285.343 2.289 20 30 CEEDHN C=C(C)CN1CCC(Nc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000297234490 378672262 /nfs/dbraw/zinc/67/22/62/378672262.db2.gz UGTSYXVOXLSPKK-UHFFFAOYSA-N 0 3 291.355 2.146 20 30 CEEDHN C[C@@H]1C[C@H](C)CN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000298457689 378732273 /nfs/dbraw/zinc/73/22/73/378732273.db2.gz KJLSEKLWMOIESA-OKILXGFUSA-N 0 3 285.391 2.152 20 30 CEEDHN C#CCO[C@H](C)C(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000298689438 378801225 /nfs/dbraw/zinc/80/12/25/378801225.db2.gz YNSQGQNRWMMZQB-GDBMZVCRSA-N 0 3 298.386 2.036 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)COCC1CC1)C(C)C ZINC000299173253 378925882 /nfs/dbraw/zinc/92/58/82/378925882.db2.gz WGLCGMLQFLVIPG-INIZCTEOSA-N 0 3 294.439 2.228 20 30 CEEDHN Cc1n[nH]cc1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000299386884 378978387 /nfs/dbraw/zinc/97/83/87/378978387.db2.gz YZPCNDVZPNMHLQ-UHFFFAOYSA-N 0 3 295.390 2.348 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)Cc1ccc(C#N)cc1 ZINC000299561249 379045833 /nfs/dbraw/zinc/04/58/33/379045833.db2.gz IMNQONOYHPUGQE-AWEZNQCLSA-N 0 3 285.391 2.091 20 30 CEEDHN N#Cc1ccc(CNCC[C@@H](O)c2ccccc2)o1 ZINC000289467576 197362132 /nfs/dbraw/zinc/36/21/32/197362132.db2.gz PAXWXVNLHGHGNS-OAHLLOKOSA-N 0 3 256.305 2.365 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000515053759 379179331 /nfs/dbraw/zinc/17/93/31/379179331.db2.gz VIOJXLYMELNARC-SOUVJXGZSA-N 0 3 284.363 2.075 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000515053759 379179336 /nfs/dbraw/zinc/17/93/36/379179336.db2.gz VIOJXLYMELNARC-SOUVJXGZSA-N 0 3 284.363 2.075 20 30 CEEDHN C=CCC[C@H](NCCCNC(C)=O)c1ccco1 ZINC000278839269 194178245 /nfs/dbraw/zinc/17/82/45/194178245.db2.gz DDQZMASBIQPEGV-ZDUSSCGKSA-N 0 3 250.342 2.403 20 30 CEEDHN C=CC[C@H](C)NC(=O)Nc1cccc2c1CCNC2 ZINC000519633712 379449290 /nfs/dbraw/zinc/44/92/90/379449290.db2.gz VKYCGVGYMQCQET-NSHDSACASA-N 0 3 259.353 2.418 20 30 CEEDHN C[C@@H](CNc1cnc(C#N)cn1)N1CCCC[C@@H]1C ZINC000355331442 220267075 /nfs/dbraw/zinc/26/70/75/220267075.db2.gz FOKWXNABHHESBP-RYUDHWBXSA-N 0 3 259.357 2.023 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)/C=C/c2ccc(C#N)cc2)CN1C1CC1 ZINC000267944876 190364555 /nfs/dbraw/zinc/36/45/55/190364555.db2.gz HYZMLRHWHZUINO-LWSBZWIYSA-N 0 3 295.386 2.313 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C/c1cccc(C#N)c1 ZINC000268137280 190379735 /nfs/dbraw/zinc/37/97/35/190379735.db2.gz CPTCZOODXPJUEU-KULBWLNLSA-N 0 3 295.386 2.170 20 30 CEEDHN C[C@H](CC(=O)C(C#N)C(=O)N1CCCC1)c1ccco1 ZINC000528916666 380134875 /nfs/dbraw/zinc/13/48/75/380134875.db2.gz RIQXOFZKPRACOJ-NEPJUHHUSA-N 0 3 274.320 2.104 20 30 CEEDHN C[C@H]1C[C@H](N(C)C(=O)Cc2cccc(C#N)c2)CCN1C ZINC000531152712 380207109 /nfs/dbraw/zinc/20/71/09/380207109.db2.gz UINMZZLPXOYLNL-XJKSGUPXSA-N 0 3 285.391 2.042 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C/c1ccccc1C#N ZINC000268286733 190392330 /nfs/dbraw/zinc/39/23/30/190392330.db2.gz YKYXAJJEVJXRFA-UREPCANASA-N 0 3 295.386 2.170 20 30 CEEDHN C=CCNC(=O)CN[C@H](CC1CC1)c1ccccc1 ZINC000538577738 380245991 /nfs/dbraw/zinc/24/59/91/380245991.db2.gz DCBDSCNAGDXBQI-OAHLLOKOSA-N 0 3 258.365 2.420 20 30 CEEDHN CC(C#N)C(=O)N1CCC(N(C)c2ccccc2)CC1 ZINC000334141557 380243130 /nfs/dbraw/zinc/24/31/30/380243130.db2.gz KXLAPNNLPAIVBS-ZDUSSCGKSA-N 0 3 271.364 2.273 20 30 CEEDHN N#CCc1ccc(CN2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000543209586 380326776 /nfs/dbraw/zinc/32/67/76/380326776.db2.gz XGYAPXHSJCALGV-KRWDZBQOSA-N 0 3 297.402 2.339 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](COC)C(C)C ZINC000542520674 380307015 /nfs/dbraw/zinc/30/70/15/380307015.db2.gz DULRPQUJNUYPGT-KBPBESRZSA-N 0 3 270.417 2.060 20 30 CEEDHN CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CCCN(C)C1 ZINC000544399549 380350693 /nfs/dbraw/zinc/35/06/93/380350693.db2.gz OJEDGPBTBKJTGQ-ZDUSSCGKSA-N 0 3 291.782 2.378 20 30 CEEDHN CC1(C)CN(Cc2cccc(C#N)c2)[C@@H]2COC[C@@H]21 ZINC000334746450 207009461 /nfs/dbraw/zinc/00/94/61/207009461.db2.gz PZRNAXSJJZJOJY-LSDHHAIUSA-N 0 3 256.349 2.415 20 30 CEEDHN CO[C@]1(C)C[C@@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000554078180 380756607 /nfs/dbraw/zinc/75/66/07/380756607.db2.gz UXWWTKINMOBQGS-UKRRQHHQSA-N 0 3 259.353 2.246 20 30 CEEDHN C=CCC1(NC(=O)/C=C\CN(C)C)CCCCC1 ZINC000493030457 380771593 /nfs/dbraw/zinc/77/15/93/380771593.db2.gz WFMKTGOHEUUPIS-HJWRWDBZSA-N 0 3 250.386 2.499 20 30 CEEDHN COC(=O)c1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000554882670 380799080 /nfs/dbraw/zinc/79/90/80/380799080.db2.gz MACLRYHHXOUIQE-JSGCOSHPSA-N 0 3 258.321 2.255 20 30 CEEDHN N#Cc1csc(CN[C@H]2CCOC3(CCC3)C2)n1 ZINC000554972000 380805249 /nfs/dbraw/zinc/80/52/49/380805249.db2.gz RVWBLUSXRUPVGC-JTQLQIEISA-N 0 3 263.366 2.206 20 30 CEEDHN CC(C)(O)CN(CC#Cc1ccccc1)C1CCOCC1 ZINC000555441782 380828989 /nfs/dbraw/zinc/82/89/89/380828989.db2.gz OGLVVLMFSJYLTQ-UHFFFAOYSA-N 0 3 287.403 2.290 20 30 CEEDHN C#CCCN1CC[C@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495281172 381168053 /nfs/dbraw/zinc/16/80/53/381168053.db2.gz KAYWIUJVOIGUIX-KGLIPLIRSA-N 0 3 296.411 2.014 20 30 CEEDHN CN(CCN(C)[C@@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000495730628 381183745 /nfs/dbraw/zinc/18/37/45/381183745.db2.gz QZLAVHFNQPLBLX-QWHCGFSZSA-N 0 3 281.400 2.477 20 30 CEEDHN CN(C)C(=O)OC[C@H]1CCCCN1CCCSCC#N ZINC000496073525 381196358 /nfs/dbraw/zinc/19/63/58/381196358.db2.gz WNKXYTLDMDLEEV-CYBMUJFWSA-N 0 3 299.440 2.186 20 30 CEEDHN CC(C)(C)OC(=O)N[C@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000496316368 381208920 /nfs/dbraw/zinc/20/89/20/381208920.db2.gz ZJVXNCHTQBMPIR-FRRDWIJNSA-N 0 3 279.384 2.278 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000355784227 285040037 /nfs/dbraw/zinc/04/00/37/285040037.db2.gz IMKUBCZPCNETTG-TUVASFSCSA-N 0 3 279.428 2.361 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CCN1C ZINC000335292542 208119344 /nfs/dbraw/zinc/11/93/44/208119344.db2.gz DNHVFCYNCNDOSD-BBRMVZONSA-N 0 3 297.402 2.189 20 30 CEEDHN CN(C)CC1(NC(=O)/C=C/c2cccc(C#N)c2)CCC1 ZINC000281153490 195126442 /nfs/dbraw/zinc/12/64/42/195126442.db2.gz WDKXUYGYQVZAED-BQYQJAHWSA-N 0 3 283.375 2.172 20 30 CEEDHN CC(C#N)C(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000336047912 533112640 /nfs/dbraw/zinc/11/26/40/533112640.db2.gz YLTQMQUMVMAVJA-GWCFXTLKSA-N 0 3 278.739 2.400 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000334150865 533117489 /nfs/dbraw/zinc/11/74/89/533117489.db2.gz NYNCRZVFMLXWTI-OIBJUYFYSA-N 0 3 250.685 2.049 20 30 CEEDHN CCC[C@]1(CO)CCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000288648111 197136193 /nfs/dbraw/zinc/13/61/93/197136193.db2.gz AZEAANNQQFKBLH-SJORKVTESA-N 0 3 288.391 2.076 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000497240203 262120590 /nfs/dbraw/zinc/12/05/90/262120590.db2.gz OIESRFSABVCVNU-QWHCGFSZSA-N 0 3 266.385 2.361 20 30 CEEDHN CC[C@H]1CN(CCOc2ccccc2C#N)CCCO1 ZINC000281561192 195288969 /nfs/dbraw/zinc/28/89/69/195288969.db2.gz YFQWUBPOOGNWRC-HNNXBMFYSA-N 0 3 274.364 2.438 20 30 CEEDHN COc1ccc(CCNC(=O)C(C)C#N)c(Cl)c1OC ZINC000354727269 533492170 /nfs/dbraw/zinc/49/21/70/533492170.db2.gz JZJBFUYYSGBFLS-SECBINFHSA-N 0 3 296.754 2.176 20 30 CEEDHN COCCOc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000190759250 130143521 /nfs/dbraw/zinc/14/35/21/130143521.db2.gz JAGBRYDWSUNRDU-UHFFFAOYSA-N 0 3 299.374 2.212 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2)CC1 ZINC000248261112 131112860 /nfs/dbraw/zinc/11/28/60/131112860.db2.gz WDTHIMVWUYIRQD-UHFFFAOYSA-N 0 3 258.365 2.457 20 30 CEEDHN CC(C)C[C@H](CN(C)C)NC(=O)C1(C#N)CCCC1 ZINC000044427682 394506559 /nfs/dbraw/zinc/50/65/59/394506559.db2.gz CBHOYJFIHAATGY-CYBMUJFWSA-N 0 3 265.401 2.163 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(CC)(CO)CC1 ZINC000305696584 394508952 /nfs/dbraw/zinc/50/89/52/394508952.db2.gz CCTCGPFNYTYJQP-HNNXBMFYSA-N 0 3 296.455 2.284 20 30 CEEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000305775918 394511866 /nfs/dbraw/zinc/51/18/66/394511866.db2.gz OBBOSPVURRSGIZ-DGCLKSJQSA-N 0 3 263.337 2.393 20 30 CEEDHN Cc1cnc(NC(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)o1 ZINC000329416346 394562364 /nfs/dbraw/zinc/56/23/64/394562364.db2.gz DCLBGTPIFHJIOD-JQWIXIFHSA-N 0 3 278.356 2.087 20 30 CEEDHN N#Cc1csc(CN2CCCN(C3CCCC3)CC2)n1 ZINC000356232094 394567199 /nfs/dbraw/zinc/56/71/99/394567199.db2.gz OMAUXBYLYODDRC-UHFFFAOYSA-N 0 3 290.436 2.465 20 30 CEEDHN [O-]C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)=[NH+]CCn1ccnc1 ZINC000329597202 394575873 /nfs/dbraw/zinc/57/58/73/394575873.db2.gz CLFFPJOXMIARQQ-MELADBBJSA-N 0 3 276.384 2.356 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(C)C[C@H]1CCCN1C ZINC000421715592 394576183 /nfs/dbraw/zinc/57/61/83/394576183.db2.gz YITACQQCSLGFHT-CQSZACIVSA-N 0 3 271.364 2.033 20 30 CEEDHN CC1(C)CCC[C@@H]1NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000329631843 394578742 /nfs/dbraw/zinc/57/87/42/394578742.db2.gz WCSIWUAGSMLBGY-MFKMUULPSA-N 0 3 276.384 2.349 20 30 CEEDHN CC1(C)CCC[C@@H]1NC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329631843 394578746 /nfs/dbraw/zinc/57/87/46/394578746.db2.gz WCSIWUAGSMLBGY-MFKMUULPSA-N 0 3 276.384 2.349 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000329834731 394588060 /nfs/dbraw/zinc/58/80/60/394588060.db2.gz LTRDFRSNBSAIQA-GMXABZIVSA-N 0 3 288.395 2.269 20 30 CEEDHN CN(CCOc1ccccc1C#N)C[C@@H]1CCCCO1 ZINC000048554483 394517498 /nfs/dbraw/zinc/51/74/98/394517498.db2.gz ZWTBTFYNOOXQTE-HNNXBMFYSA-N 0 3 274.364 2.438 20 30 CEEDHN CC[C@@H](C)N1CCN(c2cc(C)nc(C#N)c2)CC1 ZINC000308269405 394525761 /nfs/dbraw/zinc/52/57/61/394525761.db2.gz DYQPVSJOMBPZEW-CYBMUJFWSA-N 0 3 258.369 2.182 20 30 CEEDHN COc1ccnc(CC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000329874429 394590901 /nfs/dbraw/zinc/59/09/01/394590901.db2.gz FRKXJFKSYFXHMU-WCQYABFASA-N 0 3 289.379 2.214 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000334229878 394665717 /nfs/dbraw/zinc/66/57/17/394665717.db2.gz IXWQLTSBPGQCIP-OAHLLOKOSA-N 0 3 274.408 2.124 20 30 CEEDHN CC[C@H](C)N(C)C([O-])=[NH+]CCCn1ccnc1C ZINC000330455853 394611065 /nfs/dbraw/zinc/61/10/65/394611065.db2.gz XBKNHCAJUBVAOI-NSHDSACASA-N 0 3 252.362 2.226 20 30 CEEDHN Cc1ccc(C(=O)NCC2CCN(CCO)CC2)c(F)c1 ZINC000330492326 394615531 /nfs/dbraw/zinc/61/55/31/394615531.db2.gz QTHIHUYXSZAUHF-UHFFFAOYSA-N 0 3 294.370 2.143 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330640251 394623510 /nfs/dbraw/zinc/62/35/10/394623510.db2.gz CIYLJJIHXVPDRF-UMVBOHGHSA-N 0 3 265.401 2.304 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2ccc(CC#N)cc2)CN1C1CC1 ZINC000270396947 394733137 /nfs/dbraw/zinc/73/31/37/394733137.db2.gz UKTDSBALFBLMRN-DOMZBBRYSA-N 0 3 283.375 2.108 20 30 CEEDHN C=C(C)Cn1c(C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000358961146 394734411 /nfs/dbraw/zinc/73/44/11/394734411.db2.gz UKPIQXPVKPCOSD-STQMWFEESA-N 0 3 277.416 2.082 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000335089451 394735941 /nfs/dbraw/zinc/73/59/41/394735941.db2.gz FULNDQXDXWEPJH-HNNXBMFYSA-N 0 3 250.386 2.143 20 30 CEEDHN CC(C)N1C[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H](C)C1 ZINC000335103788 394737682 /nfs/dbraw/zinc/73/76/82/394737682.db2.gz LGKDPCPXDKELAH-KBPBESRZSA-N 0 3 292.427 2.050 20 30 CEEDHN CCS[C@H]1CCCCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000112089393 394742683 /nfs/dbraw/zinc/74/26/83/394742683.db2.gz VLCOFNNAHDJSGR-KBPBESRZSA-N 0 3 297.468 2.355 20 30 CEEDHN COc1cccc(C2=CCN(C(=O)C(C)C#N)CC2)c1 ZINC000335149766 394744292 /nfs/dbraw/zinc/74/42/92/394744292.db2.gz UQZGPKIDHPZHLZ-LBPRGKRZSA-N 0 3 270.332 2.471 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000334438588 394685776 /nfs/dbraw/zinc/68/57/76/394685776.db2.gz TVCYEEWPNQRCHO-GWCFXTLKSA-N 0 3 278.739 2.479 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CCC1 ZINC000359299845 394746574 /nfs/dbraw/zinc/74/65/74/394746574.db2.gz HHEWTBILTVZXFE-QWHCGFSZSA-N 0 3 250.386 2.332 20 30 CEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(C#N)c2)C1 ZINC000119099880 394764162 /nfs/dbraw/zinc/76/41/62/394764162.db2.gz GGUCIFDVQJTNIO-CVEARBPZSA-N 0 3 283.375 2.115 20 30 CEEDHN C[C@H](CNC(=O)CCCC#N)N1CCCC[C@H]1C ZINC000360015589 394784791 /nfs/dbraw/zinc/78/47/91/394784791.db2.gz JUNYEVGTSBIVLI-CHWSQXEVSA-N 0 3 251.374 2.059 20 30 CEEDHN Cc1nc(C2CCN(CC#Cc3ccc(F)cc3)CC2)n[nH]1 ZINC000360870135 394809603 /nfs/dbraw/zinc/80/96/03/394809603.db2.gz FCQBPKKMPRCTGP-UHFFFAOYSA-N 0 3 298.365 2.483 20 30 CEEDHN Cc1n[nH]c(C2CCN(CC#Cc3ccc(F)cc3)CC2)n1 ZINC000360870135 394809606 /nfs/dbraw/zinc/80/96/06/394809606.db2.gz FCQBPKKMPRCTGP-UHFFFAOYSA-N 0 3 298.365 2.483 20 30 CEEDHN Cc1nnc(C2CCN(CC#Cc3ccc(F)cc3)CC2)[nH]1 ZINC000360870135 394809609 /nfs/dbraw/zinc/80/96/09/394809609.db2.gz FCQBPKKMPRCTGP-UHFFFAOYSA-N 0 3 298.365 2.483 20 30 CEEDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc(C#N)cc1 ZINC000335933013 394812163 /nfs/dbraw/zinc/81/21/63/394812163.db2.gz HDFMGMONLZCUFA-GFCCVEGCSA-N 0 3 272.352 2.116 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](C)[C@H](C)C1 ZINC000122857691 394819209 /nfs/dbraw/zinc/81/92/09/394819209.db2.gz XDALLLJYJZRBEN-UONOGXRCSA-N 0 3 252.402 2.389 20 30 CEEDHN CC#CCCN1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000336036873 394820834 /nfs/dbraw/zinc/82/08/34/394820834.db2.gz YOCKAFNGRQJWNN-UHFFFAOYSA-N 0 3 262.397 2.267 20 30 CEEDHN C[C@@H](C(=O)N1CCC(F)(C#N)CC1)N1[C@H](C)CC[C@H]1C ZINC000359367404 394750296 /nfs/dbraw/zinc/75/02/96/394750296.db2.gz ZQIHIYBWTRJLII-UPJWGTAASA-N 0 3 281.375 2.102 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CCC=C(C)C2)CC1 ZINC000281907467 394873356 /nfs/dbraw/zinc/87/33/56/394873356.db2.gz VHRYNIBNKSYADN-UHFFFAOYSA-N 0 3 277.412 2.389 20 30 CEEDHN COc1ccc(CN(C)CCSC)cc1C#N ZINC000123488224 394828024 /nfs/dbraw/zinc/82/80/24/394828024.db2.gz UHHJXEKZFIRKMM-UHFFFAOYSA-N 0 3 250.367 2.362 20 30 CEEDHN C=CCCC1(C(=O)N(C)[C@H]2CCCN(C)C2)CC1 ZINC000361891512 394837055 /nfs/dbraw/zinc/83/70/55/394837055.db2.gz WUBAAEMZOXHXNV-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN C[C@@H]1CCCN1C(=O)CCN1CCC(C)(C#N)CC1 ZINC000336331066 394844279 /nfs/dbraw/zinc/84/42/79/394844279.db2.gz YERBVDWWNSUCOK-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN CCS[C@@H](C)c1noc(CN(C)C(=O)C(C)C#N)n1 ZINC000362189793 394848838 /nfs/dbraw/zinc/84/88/38/394848838.db2.gz YTTUGVBHJUJLTN-IUCAKERBSA-N 0 3 282.369 2.002 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2CCCCCC[C@@H]21 ZINC000362221245 394849946 /nfs/dbraw/zinc/84/99/46/394849946.db2.gz ORIMHMKTNFZWND-IHRRRGAJSA-N 0 3 293.411 2.041 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)N(C)C(C)C ZINC000285215517 394954236 /nfs/dbraw/zinc/95/42/36/394954236.db2.gz UKYBMCSBHNFJKE-DOTOQJQBSA-N 0 3 286.419 2.466 20 30 CEEDHN Cc1c[nH]cc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000338319605 394914243 /nfs/dbraw/zinc/91/42/43/394914243.db2.gz BWZJEACFJNTDJG-NSHDSACASA-N 0 3 254.293 2.220 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC(C)(C)CC1 ZINC000339252324 394954841 /nfs/dbraw/zinc/95/48/41/394954841.db2.gz BGTJYIVEZIVXDY-UHFFFAOYSA-N 0 3 250.386 2.309 20 30 CEEDHN C=CCOCCN[C@@H](CC)c1c(C)nn(C)c1C ZINC000339084728 394941688 /nfs/dbraw/zinc/94/16/88/394941688.db2.gz NQQTZOJBPIXULZ-ZDUSSCGKSA-N 0 3 251.374 2.280 20 30 CEEDHN C=CCCCCCN1CC[C@@H](CS(C)(=O)=O)C1 ZINC000366444710 394945412 /nfs/dbraw/zinc/94/54/12/394945412.db2.gz STFIEGTXAHPEAB-CYBMUJFWSA-N 0 3 259.415 2.099 20 30 CEEDHN C=CCOCCN(Cc1ccccc1)CC1(CO)CC1 ZINC000339171824 394947793 /nfs/dbraw/zinc/94/77/93/394947793.db2.gz MRRWCWCSUDOBNT-UHFFFAOYSA-N 0 3 275.392 2.464 20 30 CEEDHN C=CCC[C@H](N[C@@H](CCO)COC)c1ccco1 ZINC000286094005 395011784 /nfs/dbraw/zinc/01/17/84/395011784.db2.gz MXKNAGNERJOYJK-STQMWFEESA-N 0 3 253.342 2.274 20 30 CEEDHN C#CCN1CCC2(C[C@H]2c2nnc(C(C)C)o2)CC1 ZINC000370818586 395015383 /nfs/dbraw/zinc/01/53/83/395015383.db2.gz KATQEIXEUFATRD-LBPRGKRZSA-N 0 3 259.353 2.396 20 30 CEEDHN CC(C)[C@H](C#N)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416162246 395024669 /nfs/dbraw/zinc/02/46/69/395024669.db2.gz UKVOFIALBJXAAM-LSDHHAIUSA-N 0 3 273.380 2.344 20 30 CEEDHN CC(C)[C@H](C#N)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416162244 395024952 /nfs/dbraw/zinc/02/49/52/395024952.db2.gz UKVOFIALBJXAAM-GJZGRUSLSA-N 0 3 273.380 2.344 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)OCC ZINC000339382957 394958328 /nfs/dbraw/zinc/95/83/28/394958328.db2.gz ZUIQWYXGZOOFGH-ILXRZTDVSA-N 0 3 280.412 2.053 20 30 CEEDHN C#CCN(Cc1ccccc1)C[C@H](O)CC(F)(F)F ZINC000285641613 394961384 /nfs/dbraw/zinc/96/13/84/394961384.db2.gz LHVNRPFVOQJBDR-CYBMUJFWSA-N 0 3 271.282 2.435 20 30 CEEDHN C=CCC[C@@H](O)CNC(C)(C)c1c(C)noc1C ZINC000285703443 394962495 /nfs/dbraw/zinc/96/24/95/394962495.db2.gz PFTPNKRNCWVTCM-GFCCVEGCSA-N 0 3 252.358 2.443 20 30 CEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@@H](C)[C@@H]1C ZINC000339581375 394964411 /nfs/dbraw/zinc/96/44/11/394964411.db2.gz KWYHICJORBIOKA-IJEWVQPXSA-N 0 3 275.392 2.495 20 30 CEEDHN CC[C@H]1CCCCCN1CC(=O)N(CC)CCC#N ZINC000150740689 394974213 /nfs/dbraw/zinc/97/42/13/394974213.db2.gz KUZZVRWACGUZAZ-AWEZNQCLSA-N 0 3 265.401 2.403 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1C[C@H](C)CC(C)(C)C1 ZINC000344013734 395047551 /nfs/dbraw/zinc/04/75/51/395047551.db2.gz CQZOHMUUYRGKEC-KGLIPLIRSA-N 0 3 279.428 2.363 20 30 CEEDHN CCC1(CC)CCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346427502 395100048 /nfs/dbraw/zinc/10/00/48/395100048.db2.gz GPBDDLYGGVUADX-ZDUSSCGKSA-N 0 3 277.412 2.449 20 30 CEEDHN CC(C)N1CC[C@@H](Nc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000425215832 395052613 /nfs/dbraw/zinc/05/26/13/395052613.db2.gz OUJWKYGFORITRV-GFCCVEGCSA-N 0 3 274.324 2.361 20 30 CEEDHN C#CCCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000288167001 395055226 /nfs/dbraw/zinc/05/52/26/395055226.db2.gz OXHBYICYRCIBRZ-DZGCQCFKSA-N 0 3 273.380 2.000 20 30 CEEDHN CC(C)[C@@H]1CN(C)CCN1Cc1cccc(C#N)c1F ZINC000425468680 395060452 /nfs/dbraw/zinc/06/04/52/395060452.db2.gz DLBLDAPJEVNLAH-HNNXBMFYSA-N 0 3 275.371 2.469 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCn1ccnc1 ZINC000425538989 395061667 /nfs/dbraw/zinc/06/16/67/395061667.db2.gz SZZQYNANVYPHHJ-ZDUSSCGKSA-N 0 3 254.337 2.448 20 30 CEEDHN N#CC[C@@H](CC(=O)N1CCN2CCC1CC2)c1ccccc1 ZINC000373599974 395063861 /nfs/dbraw/zinc/06/38/61/395063861.db2.gz ZLGGNBJMPQZIAE-INIZCTEOSA-N 0 3 297.402 2.381 20 30 CEEDHN C#Cc1ccc(CN2CCC(CNC(C)=O)CC2)cc1 ZINC000289066604 395070360 /nfs/dbraw/zinc/07/03/60/395070360.db2.gz JKTSQAFGZIXWHE-UHFFFAOYSA-N 0 3 270.376 2.016 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000345692524 395073584 /nfs/dbraw/zinc/07/35/84/395073584.db2.gz PABVVDQQANBUMC-QMMMGPOBSA-N 0 3 260.215 2.330 20 30 CEEDHN C#C[C@H](NCc1ccc(N2CCCC2)nc1)C(C)C ZINC000289596296 395081090 /nfs/dbraw/zinc/08/10/90/395081090.db2.gz UZOQLYHMXKJDNH-HNNXBMFYSA-N 0 3 257.381 2.429 20 30 CEEDHN COc1ccc([C@@H](O)[C@H]2CCCN2CCCC#N)cc1 ZINC000374425074 395082355 /nfs/dbraw/zinc/08/23/55/395082355.db2.gz YIRDLPLBUZMCJC-HZPDHXFCSA-N 0 3 274.364 2.497 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CC2(C)CC2)CC1 ZINC000345922785 395082356 /nfs/dbraw/zinc/08/23/56/395082356.db2.gz FAFOLUHNMXKRFU-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000289716981 395084773 /nfs/dbraw/zinc/08/47/73/395084773.db2.gz JKAAVNVTJDIWIT-MWLCHTKSSA-N 0 3 257.280 2.486 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1C(=O)NCCN1CCCC[C@H]1CC ZINC000346002783 395084856 /nfs/dbraw/zinc/08/48/56/395084856.db2.gz LXGQPVQPROCFJU-OAGGEKHMSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C[C@H](CO)N[C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000289719362 395084977 /nfs/dbraw/zinc/08/49/77/395084977.db2.gz JNRXNXBYKFIYMX-CMPLNLGQSA-N 0 3 282.771 2.194 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](C)Oc1cccc(Cl)c1 ZINC000346241133 395091843 /nfs/dbraw/zinc/09/18/43/395091843.db2.gz HYGXBMLYCBXEMZ-UWVGGRQHSA-N 0 3 266.728 2.383 20 30 CEEDHN C#Cc1ccccc1CC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000290050461 395093235 /nfs/dbraw/zinc/09/32/35/395093235.db2.gz MHERHFPJBZFELK-WMLDXEAASA-N 0 3 284.403 2.009 20 30 CEEDHN Cc1cc(N2CCN(C)[C@H](C(C)C)C2)cc(C#N)n1 ZINC000343210621 395034597 /nfs/dbraw/zinc/03/45/97/395034597.db2.gz ZPHSNHFOMLNVNG-HNNXBMFYSA-N 0 3 258.369 2.038 20 30 CEEDHN N#CC1(NC(=O)CN2CC[C@@H](C3CC3)C2)CCCCC1 ZINC000372330403 395039829 /nfs/dbraw/zinc/03/98/29/395039829.db2.gz FPYKDYXRZWGXJO-CQSZACIVSA-N 0 3 275.396 2.061 20 30 CEEDHN CN(C)c1noc(C2CCN(CCCCC#N)CC2)n1 ZINC000372497948 395043284 /nfs/dbraw/zinc/04/32/84/395043284.db2.gz SNJOXWIKHHRHTF-UHFFFAOYSA-N 0 3 277.372 2.009 20 30 CEEDHN C#CC[C@H](NC(=O)N[C@@H](C)CN(C)C)c1ccccc1 ZINC000287673690 395044988 /nfs/dbraw/zinc/04/49/88/395044988.db2.gz ITBTZCNGZIHXQC-ZFWWWQNUSA-N 0 3 273.380 2.000 20 30 CEEDHN CN1CC[C@]2(CCN(C(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000291793392 395161591 /nfs/dbraw/zinc/16/15/91/395161591.db2.gz PBJDETRETDEAHF-INIZCTEOSA-N 0 3 284.363 2.118 20 30 CEEDHN C[C@@H](CNC(=O)NCC1(CC#N)CC1)N1CCCC[C@@H]1C ZINC000430166911 395162162 /nfs/dbraw/zinc/16/21/62/395162162.db2.gz RLQGJJMEBRBBLX-KBPBESRZSA-N 0 3 292.427 2.242 20 30 CEEDHN C=CCc1cc(CN2CC[C@@H](C)[C@@H](O)C2)cc(OC)c1O ZINC000349366595 395166954 /nfs/dbraw/zinc/16/69/54/395166954.db2.gz JUMJXTXTDKUUTK-DOMZBBRYSA-N 0 3 291.391 2.332 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1CC[C@](C)(O)C1 ZINC000178543830 395168122 /nfs/dbraw/zinc/16/81/22/395168122.db2.gz OJPQMPLDJZNTMZ-INIZCTEOSA-N 0 3 258.365 2.444 20 30 CEEDHN N#CCCCOc1cccc(CN[C@H]2CCOC2)c1 ZINC000178995752 395176398 /nfs/dbraw/zinc/17/63/98/395176398.db2.gz DGNQZECOMHRYJI-AWEZNQCLSA-N 0 3 260.337 2.248 20 30 CEEDHN CCN(CC#Cc1cccc(Cl)c1)[C@@H](C)CO ZINC000293458223 395236487 /nfs/dbraw/zinc/23/64/87/395236487.db2.gz PZSCHLCWTSPCRM-LBPRGKRZSA-N 0 3 251.757 2.394 20 30 CEEDHN C[C@H]1CN(C(=O)C#Cc2ccccc2)CCN(C2CCC2)C1 ZINC000293575123 395240334 /nfs/dbraw/zinc/24/03/34/395240334.db2.gz APXRSBNUBOOKDM-MRXNPFEDSA-N 0 3 296.414 2.371 20 30 CEEDHN CC#CCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000293008421 395213319 /nfs/dbraw/zinc/21/33/19/395213319.db2.gz DLHOFUKQQLCIGQ-UHFFFAOYSA-N 0 3 289.335 2.187 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000293813678 395252424 /nfs/dbraw/zinc/25/24/24/395252424.db2.gz OLEHXAWFEAJRRG-AWEZNQCLSA-N 0 3 288.391 2.264 20 30 CEEDHN CC#CCN(C)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000293184607 395224343 /nfs/dbraw/zinc/22/43/43/395224343.db2.gz PWLSORCUAZFEJM-SJLPKXTDSA-N 0 3 287.403 2.397 20 30 CEEDHN N#Cc1cccc(CN[C@@]2(CO)COc3ccccc3C2)c1 ZINC000527768746 395281002 /nfs/dbraw/zinc/28/10/02/395281002.db2.gz RLZWNGCMBUVGMS-SFHVURJKSA-N 0 3 294.354 2.014 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCSC2)CC1 ZINC000354285292 395325018 /nfs/dbraw/zinc/32/50/18/395325018.db2.gz VJNOQOBTCCCUEP-ZDUSSCGKSA-N 0 3 282.453 2.286 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000353004012 395283973 /nfs/dbraw/zinc/28/39/73/395283973.db2.gz BAVOJHYSNKKSNA-NJZAAPMLSA-N 0 3 250.386 2.188 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CC[C@H](CN2CCOCC2)C1 ZINC000186241090 395286618 /nfs/dbraw/zinc/28/66/18/395286618.db2.gz FSPXUQZGIZTCCB-QGZVFWFLSA-N 0 3 299.418 2.021 20 30 CEEDHN CN(CCN(C)C1CC1)Cc1ccc(F)cc1C#N ZINC000186750842 395294972 /nfs/dbraw/zinc/29/49/72/395294972.db2.gz GWQLKOGYLYUTAG-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN CCN1CC[C@@H]2OCCN(CC(C)(C)CCC#N)[C@@H]2C1 ZINC000354130303 395317458 /nfs/dbraw/zinc/31/74/58/395317458.db2.gz JHUTYQCMOJNBBJ-CABCVRRESA-N 0 3 279.428 2.111 20 30 CEEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1CC(=O)NCc1cccc(C#N)c1 ZINC000419370029 395265958 /nfs/dbraw/zinc/26/59/58/395265958.db2.gz IXLGDLBYGQUZBN-HZSPNIEDSA-N 0 3 285.391 2.151 20 30 CEEDHN C[C@@H](CNc1cncc(C#N)n1)N1CCCC[C@H]1C ZINC000420583518 395380774 /nfs/dbraw/zinc/38/07/74/395380774.db2.gz JEIFWILCZJYVRF-NEPJUHHUSA-N 0 3 259.357 2.023 20 30 CEEDHN CC(=O)Nc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442714389 395392316 /nfs/dbraw/zinc/39/23/16/395392316.db2.gz LGQSNDQWAHQZNL-TZMCWYRMSA-N 0 3 257.337 2.427 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCCOc2ccc3c(c2)OCO3)C1 ZINC000442710482 395392331 /nfs/dbraw/zinc/39/23/31/395392331.db2.gz CDTALQJUFWNLKH-VXGBXAGGSA-N 0 3 274.320 2.076 20 30 CEEDHN CN(C)[C@H](CNCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000189577067 395329813 /nfs/dbraw/zinc/32/98/13/395329813.db2.gz MBKXMWRGNUXFFU-QGZVFWFLSA-N 0 3 282.391 2.289 20 30 CEEDHN COc1cc(C(=O)C(C#N)c2ccncn2)ccc1C ZINC000354459590 395333990 /nfs/dbraw/zinc/33/39/90/395333990.db2.gz DHUNLOOYGLGRRU-GFCCVEGCSA-N 0 3 267.288 2.284 20 30 CEEDHN CCN(CCC#N)C(=O)CN(CC)C1CC(C)(C)C1 ZINC000412029002 395344300 /nfs/dbraw/zinc/34/43/00/395344300.db2.gz CBZMUJXNQPPIRU-UHFFFAOYSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCc1cc(CN(C)CC2(O)CCC2)cc(OC)c1O ZINC000355359504 395421234 /nfs/dbraw/zinc/42/12/34/395421234.db2.gz BZDDQQUCSHLMJM-UHFFFAOYSA-N 0 3 291.391 2.476 20 30 CEEDHN CC(C)[C@@H]1CN(C)CCN1Cc1ccccc1C#N ZINC000355374242 395427292 /nfs/dbraw/zinc/42/72/92/395427292.db2.gz YATJQESQRGQFGL-INIZCTEOSA-N 0 3 257.381 2.330 20 30 CEEDHN CCOC1CC(O)(CN[C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000447566410 395505499 /nfs/dbraw/zinc/50/54/99/395505499.db2.gz STNQZQYLRWONSM-OLQXHTCTSA-N 0 3 292.354 2.278 20 30 CEEDHN COc1cc(CN2CC[C@@H](OC)[C@H](C)C2)ccc1C#N ZINC000449510293 395552228 /nfs/dbraw/zinc/55/22/28/395552228.db2.gz XBENCZJMKCIZFQ-IUODEOHRSA-N 0 3 274.364 2.424 20 30 CEEDHN C=CCOCCN1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000568506592 395563304 /nfs/dbraw/zinc/56/33/04/395563304.db2.gz DARLDSJLTDGEMR-UONOGXRCSA-N 0 3 283.412 2.489 20 30 CEEDHN CC[C@H](CC#N)NCCCOc1ccc2c(c1)OCO2 ZINC000568778771 395570834 /nfs/dbraw/zinc/57/08/34/395570834.db2.gz JRTSQRJKSQNDMZ-GFCCVEGCSA-N 0 3 276.336 2.466 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000570688202 395583011 /nfs/dbraw/zinc/58/30/11/395583011.db2.gz XDRLOGHYVIMRAR-GMTAPVOTSA-N 0 3 264.291 2.171 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2cc(C#N)ccc2OC)[C@@H](C)C1 ZINC000459487119 395666089 /nfs/dbraw/zinc/66/60/89/395666089.db2.gz VOKMIJCWEBTYEW-OKILXGFUSA-N 0 3 287.407 2.481 20 30 CEEDHN CC[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000459790260 395666735 /nfs/dbraw/zinc/66/67/35/395666735.db2.gz GODCSNNTQOTAFT-GLQYFDAESA-N 0 3 287.363 2.042 20 30 CEEDHN Cc1nc(NC[C@@H](Cc2ccccc2)N(C)C)ccc1C#N ZINC000487937759 395667632 /nfs/dbraw/zinc/66/76/32/395667632.db2.gz AWXYDXCFVUAHEC-QGZVFWFLSA-N 0 3 294.402 2.268 20 30 CEEDHN Cc1cc(CN2CCN(C[C@@H]3CCOC3)CC2)ccc1C#N ZINC000488211956 395668137 /nfs/dbraw/zinc/66/81/37/395668137.db2.gz POHGADSHBZCMHH-KRWDZBQOSA-N 0 3 299.418 2.021 20 30 CEEDHN COCCN(Cc1cccc(C#N)c1)[C@@H]1CCO[C@H]1C ZINC000489442803 395668564 /nfs/dbraw/zinc/66/85/64/395668564.db2.gz WPEMOODZOOFCHY-XJKSGUPXSA-N 0 3 274.364 2.184 20 30 CEEDHN CCN1CCC[C@H](NC(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000491545691 395670033 /nfs/dbraw/zinc/67/00/33/395670033.db2.gz JBALQPNPRZECGM-SCOAYWHSSA-N 0 3 283.375 2.172 20 30 CEEDHN CN(C)C/C=C\C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000493560274 395671531 /nfs/dbraw/zinc/67/15/31/395671531.db2.gz SJOJMJNZEBVWLM-OUOZUETKSA-N 0 3 283.375 2.170 20 30 CEEDHN C=C(C)c1ccc(S(=O)(=O)NCCN(CC)CC)cc1 ZINC000649444248 396154536 /nfs/dbraw/zinc/15/45/36/396154536.db2.gz KBCDDWJXJULAFI-UHFFFAOYSA-N 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2.124 20 30 CEEDHN C=CCCn1cc(CN[C@H](C)CN2CCC[C@H](C)C2)nn1 ZINC000657327965 414864557 /nfs/dbraw/zinc/86/45/57/414864557.db2.gz ORPRCLXTEQOLIL-LSDHHAIUSA-N 0 3 291.443 2.064 20 30 CEEDHN Cc1cc(C#N)nc(N2CCC[C@H]2CN2CCCCC2)n1 ZINC000281194738 414848496 /nfs/dbraw/zinc/84/84/96/414848496.db2.gz OUMCAJLOEXOIPT-HNNXBMFYSA-N 0 3 285.395 2.111 20 30 CEEDHN C=CCCn1cc(CNC[C@H](C)N2CCCC[C@@H]2C)nn1 ZINC000657308078 414848500 /nfs/dbraw/zinc/84/85/00/414848500.db2.gz MSGZJPMDWOJIFS-GJZGRUSLSA-N 0 3 291.443 2.207 20 30 CEEDHN C=CCCn1cc(CN[C@@H](C)CN2CCC[C@@H](C)C2)nn1 ZINC000657327962 414864037 /nfs/dbraw/zinc/86/40/37/414864037.db2.gz ORPRCLXTEQOLIL-CABCVRRESA-N 0 3 291.443 2.064 20 30 CEEDHN CC#CCCCC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654319702 414906837 /nfs/dbraw/zinc/90/68/37/414906837.db2.gz PESJTPVQRXXTMD-GJZGRUSLSA-N 0 3 262.397 2.313 20 30 CEEDHN C=CCCn1cc(CNCC[C@H]2CCO[C@H](C)C2)nn1 ZINC000657431457 414932141 /nfs/dbraw/zinc/93/21/41/414932141.db2.gz HAAPNYCCQCNFDL-KGLIPLIRSA-N 0 3 278.400 2.149 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)C[C@@H]2CC2(C)C)CC1 ZINC000660703641 414942045 /nfs/dbraw/zinc/94/20/45/414942045.db2.gz FPSQXAQYFNQPEZ-ZDUSSCGKSA-N 0 3 279.428 2.324 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCC2=CCCC2)CC1 ZINC000660597612 414891893 /nfs/dbraw/zinc/89/18/93/414891893.db2.gz RWQNOQSCPUNANB-UHFFFAOYSA-N 0 3 277.412 2.436 20 30 CEEDHN C=CCN1CCC(Nc2nccnc2OC2CCC2)CC1 ZINC000663569390 414990192 /nfs/dbraw/zinc/99/01/92/414990192.db2.gz IQBMNPFDBXIADQ-UHFFFAOYSA-N 0 3 288.395 2.470 20 30 CEEDHN C=CCCCCCNC(=O)NCCN1CCC(OC)CC1 ZINC000654666204 415000502 /nfs/dbraw/zinc/00/05/02/415000502.db2.gz SGBBJYOGESGYTK-UHFFFAOYSA-N 0 3 297.443 2.143 20 30 CEEDHN C=CCN(C(=O)N[C@@H](C)CN1CCCCC1)[C@@H](C)COC ZINC000663640069 415002653 /nfs/dbraw/zinc/00/26/53/415002653.db2.gz BJLNHEUYLQAKKM-GJZGRUSLSA-N 0 3 297.443 2.093 20 30 CEEDHN C=CCCn1cc(CN[C@H]2CCCC23CCOCC3)nn1 ZINC000653661822 415067517 /nfs/dbraw/zinc/06/75/17/415067517.db2.gz FBFLIWRFRVWLJB-HNNXBMFYSA-N 0 3 290.411 2.293 20 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C=CCC[C@@H](O)CN[C@@H](COC)c1cccc(OC)c1 ZINC000661476774 415277131 /nfs/dbraw/zinc/27/71/31/415277131.db2.gz CNJFHVBAWASBNA-ZBFHGGJFSA-N 0 3 279.380 2.299 20 30 CEEDHN C=CC[C@H]1CCCN(CC(=O)N[C@@H](C)C(C)C)C1 ZINC000661377266 415230664 /nfs/dbraw/zinc/23/06/64/415230664.db2.gz MHPKDGAVTZQYET-KBPBESRZSA-N 0 3 252.402 2.435 20 30 CEEDHN C=CCN(C(=O)N[C@@H](CC)CN1CCCC1)[C@H](C)COC ZINC000664410134 415329272 /nfs/dbraw/zinc/32/92/72/415329272.db2.gz STFBVWFUECGNLV-CABCVRRESA-N 0 3 297.443 2.093 20 30 CEEDHN C=CCOCCCNC(=O)Nc1cccc(CNC)c1 ZINC000659020255 415389546 /nfs/dbraw/zinc/38/95/46/415389546.db2.gz YYGQIEULOCQXCP-UHFFFAOYSA-N 0 3 277.368 2.120 20 30 CEEDHN C=CCN(CCc1nnnn1-c1ccccc1)C(C)(C)C ZINC000661755820 415445103 /nfs/dbraw/zinc/44/51/03/415445103.db2.gz ZUPKDWUMJKEOCY-UHFFFAOYSA-N 0 3 285.395 2.491 20 30 CEEDHN C=C(CNC(=O)N(CC)[C@H]1CCN(C)C1)c1ccccc1 ZINC000664899313 415516220 /nfs/dbraw/zinc/51/62/20/415516220.db2.gz UKRSCCCUHQQVQI-INIZCTEOSA-N 0 3 287.407 2.435 20 30 CEEDHN C=CCCC1(CNC(=O)CNC[C@H]2CCCO2)CCCC1 ZINC000659334771 415524392 /nfs/dbraw/zinc/52/43/92/415524392.db2.gz QBWGKSBEPLZUAS-OAHLLOKOSA-N 0 3 294.439 2.398 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCc1nnn(C(C)(C)C)n1 ZINC000662088993 415618896 /nfs/dbraw/zinc/61/88/96/415618896.db2.gz QMSQHZOEZVWMTQ-BETUJISGSA-N 0 3 275.400 2.154 20 30 CEEDHN C=CC1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662455579 415851637 /nfs/dbraw/zinc/85/16/37/415851637.db2.gz YJEZCFIFTWRXRW-UHFFFAOYSA-N 0 3 276.405 2.432 20 30 CEEDHN CC[C@@H]1CCCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000076425675 177023944 /nfs/dbraw/zinc/02/39/44/177023944.db2.gz VASFMSRUSNOZJZ-UONOGXRCSA-N 0 3 265.401 2.259 20 30 CEEDHN C[C@@H]1N(Cc2ccc(C#N)cn2)CCC12CCOCC2 ZINC000566804563 299023551 /nfs/dbraw/zinc/02/35/51/299023551.db2.gz GHFFWKJPTYRDPD-ZDUSSCGKSA-N 0 3 271.364 2.344 20 30 CEEDHN COc1ccc(C(C)(C)CNC(=O)C(C)C#N)cc1 ZINC000347042247 226025338 /nfs/dbraw/zinc/02/53/38/226025338.db2.gz UMGDCYKLIGNZLP-LLVKDONJSA-N 0 3 260.337 2.249 20 30 CEEDHN CC(C#N)C(=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000336580640 227137342 /nfs/dbraw/zinc/13/73/42/227137342.db2.gz IFOLMLLFYHDVKT-LLVKDONJSA-N 0 3 256.305 2.168 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000335921711 228165740 /nfs/dbraw/zinc/16/57/40/228165740.db2.gz QQYMVBMQSXWRFI-QWRGUYRKSA-N 0 3 278.739 2.479 20 30 CEEDHN COCC[C@@H](COC)N[C@@H](C)c1ccc(C#N)cc1 ZINC000311663769 292630865 /nfs/dbraw/zinc/63/08/65/292630865.db2.gz OHMXKNQLSXNYLQ-WFASDCNBSA-N 0 3 262.353 2.260 20 30 CEEDHN C=C[C@@](C)(O)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000665873059 419467160 /nfs/dbraw/zinc/46/71/60/419467160.db2.gz PLMDPWTWOOOYHR-DOTOQJQBSA-N 0 3 290.407 2.123 20 30 CEEDHN COc1ccc(CN[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1C#N ZINC000527805175 269782218 /nfs/dbraw/zinc/78/22/18/269782218.db2.gz UOBJGXLZLKJMLZ-YWDSYVAPSA-N 0 3 274.364 2.468 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](C)CN2CCCC2=O)cc1 ZINC000037783025 260117284 /nfs/dbraw/zinc/11/72/84/260117284.db2.gz XTNPTJMBCPCVSA-AWEZNQCLSA-N 0 3 288.391 2.352 20 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OONZABRQKUXGPN-INIZCTEOSA-N 0 3 270.376 2.135 20 30 CEEDHN C=CCN(CCc1ccco1)C(=O)[C@@H](CC)N(C)C ZINC000298712469 260161706 /nfs/dbraw/zinc/16/17/06/260161706.db2.gz WCNCAHWHANUAIT-CQSZACIVSA-N 0 3 264.369 2.177 20 30 CEEDHN C=CCNC(=O)[C@H](C)N(C)CCCc1ccccc1 ZINC000298788032 260162664 /nfs/dbraw/zinc/16/26/64/260162664.db2.gz XUPNGSBUZSPHDS-AWEZNQCLSA-N 0 3 260.381 2.242 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCCN1C ZINC000299265359 260178746 /nfs/dbraw/zinc/17/87/46/260178746.db2.gz XPWMMKHHTNRLMM-INIZCTEOSA-N 0 3 287.407 2.478 20 30 CEEDHN CC(C)(C)OC(=O)N1C[C@H]2CN(CCCC#N)CC[C@@H]2C1 ZINC000367978296 260191710 /nfs/dbraw/zinc/19/17/10/260191710.db2.gz UUHNNIJEKYDIJQ-ZIAGYGMSSA-N 0 3 293.411 2.479 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000068824568 260225517 /nfs/dbraw/zinc/22/55/17/260225517.db2.gz QFCCETKESZJPHT-ZDUSSCGKSA-N 0 3 289.354 2.292 20 30 CEEDHN C=CCC[C@H](CO)NCc1cn2cc(C)ccc2n1 ZINC000449695477 260809945 /nfs/dbraw/zinc/80/99/45/260809945.db2.gz FDRGISIKGVNQIN-CYBMUJFWSA-N 0 3 259.353 2.059 20 30 CEEDHN CN1CCC(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000153395932 261077885 /nfs/dbraw/zinc/07/78/85/261077885.db2.gz BECMSRUCQIYMBU-INIZCTEOSA-N 0 3 285.391 2.489 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000490590915 261164566 /nfs/dbraw/zinc/16/45/66/261164566.db2.gz ZFEOAYAQMXISNC-LSDHHAIUSA-N 0 3 276.424 2.274 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000491067675 261315023 /nfs/dbraw/zinc/31/50/23/261315023.db2.gz JRVDGOXFYDLVMK-AWEZNQCLSA-N 0 3 270.376 2.376 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(CC)C[C@H](C)OC ZINC000361557491 261334934 /nfs/dbraw/zinc/33/49/34/261334934.db2.gz ASVSQGNEJNLEQG-UONOGXRCSA-N 0 3 270.417 2.156 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1cc2cccc(F)c2o1 ZINC000491164784 261356721 /nfs/dbraw/zinc/35/67/21/261356721.db2.gz FSTDYDOTMQZFRO-NSHDSACASA-N 0 3 288.322 2.362 20 30 CEEDHN C#CCNC(=O)CCNCc1cc2ccccc2s1 ZINC000491221663 261377316 /nfs/dbraw/zinc/37/73/16/261377316.db2.gz YRWIPISOOGKWPD-UHFFFAOYSA-N 0 3 272.373 2.130 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNc1cnc(C#N)cn1)C(C)C ZINC000106464077 261844844 /nfs/dbraw/zinc/84/48/44/261844844.db2.gz NEKQFGMGEGZBNR-HNNXBMFYSA-N 0 3 285.395 2.459 20 30 CEEDHN C[C@@H](NC(=O)C(C)(C)C#N)[C@@H](c1ccccc1)N(C)C ZINC000186919253 262116512 /nfs/dbraw/zinc/11/65/12/262116512.db2.gz DLDPDBPYMDRSQI-OCCSQVGLSA-N 0 3 273.380 2.344 20 30 CEEDHN CN(C)C(=O)O[C@@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000497272687 262129897 /nfs/dbraw/zinc/12/98/97/262129897.db2.gz SUMOTZNNQUFPMB-GFCCVEGCSA-N 0 3 267.373 2.089 20 30 CEEDHN CC(C)(C#N)CCN1CCOC2(CCOCC2)CC1 ZINC000364262713 262192134 /nfs/dbraw/zinc/19/21/34/262192134.db2.gz OHPOARBOTVLHQH-UHFFFAOYSA-N 0 3 266.385 2.198 20 30 CEEDHN CC(C)(C#N)CCCCN1CCC(N2CCNC2=O)CC1 ZINC000364357277 262215051 /nfs/dbraw/zinc/21/50/51/262215051.db2.gz VBBVIWPIBBPGIA-UHFFFAOYSA-N 0 3 292.427 2.196 20 30 CEEDHN C=C(C)COCCNC(=O)c1cccc(CN(C)C)c1 ZINC000162319344 262327390 /nfs/dbraw/zinc/32/73/90/262327390.db2.gz XHTVWBHHMUOCFB-UHFFFAOYSA-N 0 3 276.380 2.071 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000338077121 262503642 /nfs/dbraw/zinc/50/36/42/262503642.db2.gz BRKQYWQUYFEHDC-VNHYZAJKSA-N 0 3 272.348 2.430 20 30 CEEDHN COCCN1CC[C@H](N[C@H](CCC#N)c2ccccc2)C1 ZINC000273231964 263014149 /nfs/dbraw/zinc/01/41/49/263014149.db2.gz XDEBIAONVUJDGF-DLBZAZTESA-N 0 3 287.407 2.342 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC=CCC2)cc1 ZINC000280455401 263061869 /nfs/dbraw/zinc/06/18/69/263061869.db2.gz NZBRROFXBNNQNM-HOTGVXAUSA-N 0 3 279.343 2.465 20 30 CEEDHN C=C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281054036 263066041 /nfs/dbraw/zinc/06/60/41/263066041.db2.gz YHZLENLUAQFPRS-INIZCTEOSA-N 0 3 279.343 2.419 20 30 CEEDHN CC1(C)SC[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000283561879 263083357 /nfs/dbraw/zinc/08/33/57/263083357.db2.gz IXGZCAVJKBBFBS-KGLIPLIRSA-N 0 3 299.399 2.251 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NCc1ccccc1CN(C)C ZINC000285143172 263090579 /nfs/dbraw/zinc/09/05/79/263090579.db2.gz XBAOVNKVVRZDEM-INIZCTEOSA-N 0 3 273.380 2.304 20 30 CEEDHN N#CCCOCCN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000293649274 263145808 /nfs/dbraw/zinc/14/58/08/263145808.db2.gz SIDMIXZRJMHXNW-AWEZNQCLSA-N 0 3 282.771 2.283 20 30 CEEDHN N#CCCOCCN(CCCO)Cc1cccc(Cl)c1 ZINC000293683157 263146816 /nfs/dbraw/zinc/14/68/16/263146816.db2.gz BEPOIBMZAGXOGF-UHFFFAOYSA-N 0 3 296.798 2.455 20 30 CEEDHN Cc1cccnc1OC1CCN(CCOCCC#N)CC1 ZINC000294104070 263155919 /nfs/dbraw/zinc/15/59/19/263155919.db2.gz MNWWQINHZSLVFR-UHFFFAOYSA-N 0 3 289.379 2.164 20 30 CEEDHN C[C@@H](NCCOCCC#N)c1ccc([S@](C)=O)cc1 ZINC000294483046 263162765 /nfs/dbraw/zinc/16/27/65/263162765.db2.gz HIBPVZSWHGHOCJ-BLVKFPJESA-N 0 3 280.393 2.005 20 30 CEEDHN CNCc1cccc(NC(=O)C2(C#N)CCCC2)c1 ZINC000297260733 263202417 /nfs/dbraw/zinc/20/24/17/263202417.db2.gz ROYHPOXDTHAIQL-UHFFFAOYSA-N 0 3 257.337 2.428 20 30 CEEDHN COC1CC(N(C)C(=O)C(C#N)CCc2ccccc2)C1 ZINC000340926736 263312829 /nfs/dbraw/zinc/31/28/29/263312829.db2.gz RJWDUIPELDQTEL-QQFBHYJXSA-N 0 3 286.375 2.395 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000341433571 263337750 /nfs/dbraw/zinc/33/77/50/263337750.db2.gz JVHBAGZBNUDMSI-HZSPNIEDSA-N 0 3 265.401 2.077 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1ccccc1NC(=O)[C@H](C)C#N ZINC000341475079 263341468 /nfs/dbraw/zinc/34/14/68/263341468.db2.gz FHYYKQOJFCMPKH-QJPTWQEYSA-N 0 3 298.346 2.122 20 30 CEEDHN COCC1(C#N)CCN(C[C@H](O)CCC(C)C)CC1 ZINC000341999820 263375267 /nfs/dbraw/zinc/37/52/67/263375267.db2.gz VJRJHLSASBGANX-CQSZACIVSA-N 0 3 268.401 2.036 20 30 CEEDHN COc1cc(CN(C(=O)C(C)C#N)C2CC2)ccc1O ZINC000342015670 263379154 /nfs/dbraw/zinc/37/91/54/263379154.db2.gz JCYQZECLEBRFIM-JTQLQIEISA-N 0 3 274.320 2.051 20 30 CEEDHN COCC1(C#N)CCN(CCCC2CCOCC2)CC1 ZINC000341989438 263381246 /nfs/dbraw/zinc/38/12/46/263381246.db2.gz KBAVSYJZLJHGNN-UHFFFAOYSA-N 0 3 280.412 2.445 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000342103547 263387483 /nfs/dbraw/zinc/38/74/83/263387483.db2.gz MWGPBTCPQODWTR-JSGCOSHPSA-N 0 3 285.457 2.078 20 30 CEEDHN CN(C)[C@]1(CNC(=O)[C@@]2(C)CCC(=O)NC2)CCSC1 ZINC000328646839 263831523 /nfs/dbraw/zinc/83/15/23/263831523.db2.gz HMPLIQAVBGWOTH-KBPBESRZSA-N 0 3 299.440 2.137 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnn2CC)CC1 ZINC000330679484 264002811 /nfs/dbraw/zinc/00/28/11/264002811.db2.gz DOTBOZCYUVZASJ-UHFFFAOYSA-N 0 3 291.399 2.269 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(C(=O)OCC)o1 ZINC000425349749 264024330 /nfs/dbraw/zinc/02/43/30/264024330.db2.gz HDWSRZJSHNUGEQ-AAEUAGOBSA-N 0 3 279.336 2.137 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2ccnn2C(C)C)nc(C)n1 ZINC000331190806 264157103 /nfs/dbraw/zinc/15/71/03/264157103.db2.gz WLCBALGXFNFHGW-GFCCVEGCSA-N 0 3 283.335 2.361 20 30 CEEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@@H](C)O1 ZINC000331208925 264161631 /nfs/dbraw/zinc/16/16/31/264161631.db2.gz WCQQRZGHOLMZLI-IIAWOOMASA-N 0 3 286.375 2.395 20 30 CEEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@H](C)O1 ZINC000331208926 264161978 /nfs/dbraw/zinc/16/19/78/264161978.db2.gz WCQQRZGHOLMZLI-IJEWVQPXSA-N 0 3 286.375 2.395 20 30 CEEDHN C[C@@H](CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[NH+](C)C ZINC000331237378 264175365 /nfs/dbraw/zinc/17/53/65/264175365.db2.gz MVFLCVSIIUDMRL-JTQLQIEISA-N 0 3 292.379 2.360 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1SCC ZINC000189488993 264302592 /nfs/dbraw/zinc/30/25/92/264302592.db2.gz WKKCBRGXQRXQJV-XQQFMLRXSA-N 0 3 270.442 2.331 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(F)n2)CC1 ZINC000134186728 264502249 /nfs/dbraw/zinc/50/22/49/264502249.db2.gz OUUQWSWBCKOSOV-UHFFFAOYSA-N 0 3 292.358 2.383 20 30 CEEDHN CC#CC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000283124319 264511639 /nfs/dbraw/zinc/51/16/39/264511639.db2.gz ICRARSUFSVNIES-UHFFFAOYSA-N 0 3 258.365 2.120 20 30 CEEDHN C=CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000287383252 264628475 /nfs/dbraw/zinc/62/84/75/264628475.db2.gz UUDLCDXHSMXSEL-HIFRSBDPSA-N 0 3 273.380 2.135 20 30 CEEDHN C#Cc1ccc(CNC[C@@H]2COC3(CCCC3)O2)cc1 ZINC000290066508 264749780 /nfs/dbraw/zinc/74/97/80/264749780.db2.gz KUDQDRICCNGUFE-MRXNPFEDSA-N 0 3 271.360 2.443 20 30 CEEDHN C=CCOCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000294141768 265000273 /nfs/dbraw/zinc/00/02/73/265000273.db2.gz OJSYJWNKRSSJTD-UHFFFAOYSA-N 0 3 264.325 2.272 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC000294042489 265003333 /nfs/dbraw/zinc/00/33/33/265003333.db2.gz SSVSDSNGATXWCY-UHFFFAOYSA-N 0 3 297.402 2.470 20 30 CEEDHN N#CC1(NC(=O)CN[C@H]2CCC[C@@H]2c2ccccc2)CCC1 ZINC000525886364 265035184 /nfs/dbraw/zinc/03/51/84/265035184.db2.gz HWFBRXBVIRAYMU-CVEARBPZSA-N 0 3 297.402 2.475 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000356578303 266140833 /nfs/dbraw/zinc/14/08/33/266140833.db2.gz CYYREQSHAAHHMG-MRVWCRGKSA-N 0 3 258.321 2.183 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](C)C2(CCC2)C1 ZINC000357029653 266235814 /nfs/dbraw/zinc/23/58/14/266235814.db2.gz WBCYPWIIMWOXNI-OLZOCXBDSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C(C)CN1CCC(NCc2ncc(COC)s2)CC1 ZINC000357422558 266293621 /nfs/dbraw/zinc/29/36/21/266293621.db2.gz SGAMUPNPNFHJGO-UHFFFAOYSA-N 0 3 295.452 2.420 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000357818132 266372608 /nfs/dbraw/zinc/37/26/08/266372608.db2.gz BTRGZJYVOGGWEO-BZPMIXESSA-N 0 3 258.321 2.135 20 30 CEEDHN CC(C)C[C@@H](CNC(=O)c1ccc(C#N)s1)N(C)C ZINC000487671581 266905874 /nfs/dbraw/zinc/90/58/74/266905874.db2.gz GCIZMQZEHUXTCJ-NSHDSACASA-N 0 3 279.409 2.326 20 30 CEEDHN CCCCN(C)CCNC(=O)/C=C\c1ccc(C#N)cc1 ZINC000491828183 267004303 /nfs/dbraw/zinc/00/43/03/267004303.db2.gz NLBSIEIETGEHKB-KTKRTIGZSA-N 0 3 285.391 2.420 20 30 CEEDHN CCCN(Cc1ccc(C#N)cc1)[C@H]1CCCN(C)C1=O ZINC000517221994 267015387 /nfs/dbraw/zinc/01/53/87/267015387.db2.gz FLOFBBIUGPMDMN-INIZCTEOSA-N 0 3 285.391 2.391 20 30 CEEDHN CCCN1C[C@H](CNCc2ccc(C#N)cc2F)CC1=O ZINC000421352213 267020473 /nfs/dbraw/zinc/02/04/73/267020473.db2.gz NNWPMIUMPXJAHZ-ZDUSSCGKSA-N 0 3 289.354 2.045 20 30 CEEDHN C=C[C@@H](C)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000362655471 267030256 /nfs/dbraw/zinc/03/02/56/267030256.db2.gz LYOFVGINZMDSEO-HIFRSBDPSA-N 0 3 275.396 2.033 20 30 CEEDHN CCN(CCNC(=O)Nc1cc(C)cc(C#N)c1)C1CC1 ZINC000455981138 267067078 /nfs/dbraw/zinc/06/70/78/267067078.db2.gz GWFFQGMZADZBIB-UHFFFAOYSA-N 0 3 286.379 2.473 20 30 CEEDHN CCCCCCCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363125738 267075365 /nfs/dbraw/zinc/07/53/65/267075365.db2.gz VAMJMNDILAMECB-LSDHHAIUSA-N 0 3 282.428 2.326 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC2(CCC2)CC1 ZINC000367597554 267103086 /nfs/dbraw/zinc/10/30/86/267103086.db2.gz NPQYKPKUQIRZOO-CQSZACIVSA-N 0 3 277.412 2.261 20 30 CEEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1CC(=O)Nc1ccc(C#N)cc1 ZINC000399689636 267103391 /nfs/dbraw/zinc/10/33/91/267103391.db2.gz UKRYEKCJJMMNLT-FRRDWIJNSA-N 0 3 271.364 2.473 20 30 CEEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(C)c2)[C@@H]1OC ZINC000446759563 267152866 /nfs/dbraw/zinc/15/28/66/267152866.db2.gz GTWXCTLFQFNLDL-XHSDSOJGSA-N 0 3 274.364 2.149 20 30 CEEDHN CC[C@H]1[C@@H](CO)CCN1Cc1ccc(C#N)s1 ZINC000449424468 267236472 /nfs/dbraw/zinc/23/64/72/267236472.db2.gz PDDBQKANPRPTDP-MFKMUULPSA-N 0 3 250.367 2.213 20 30 CEEDHN CN(C)CCSc1cccc(C#N)c1[N+](=O)[O-] ZINC000450377282 267281030 /nfs/dbraw/zinc/28/10/30/267281030.db2.gz ISABDHCTKYWTHT-UHFFFAOYSA-N 0 3 251.311 2.120 20 30 CEEDHN CN(C)C[C@@H]1CCCCN1C(=O)Cc1cccc(C#N)c1 ZINC000530674687 267282113 /nfs/dbraw/zinc/28/21/13/267282113.db2.gz DZNFWBYXJKOPII-INIZCTEOSA-N 0 3 285.391 2.043 20 30 CEEDHN CN(C)[C@@H]1CCCN(C(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000491447928 267287552 /nfs/dbraw/zinc/28/75/52/267287552.db2.gz GABJZLOCXQWCME-ZBTGYSDGSA-N 0 3 283.375 2.124 20 30 CEEDHN CN(C)[C@H](CNc1cncc(C#N)n1)c1cccs1 ZINC000420585172 267288541 /nfs/dbraw/zinc/28/85/41/267288541.db2.gz NHGPTUFMDAOKFJ-LLVKDONJSA-N 0 3 273.365 2.125 20 30 CEEDHN CN1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000515610399 267337193 /nfs/dbraw/zinc/33/71/93/267337193.db2.gz YKUBKOXABMARBR-HYVNUMGLSA-N 0 3 297.402 2.120 20 30 CEEDHN CN1C[C@@H]2CCCN(C(=O)/C=C/c3cccc(C#N)c3)[C@@H]2C1 ZINC000493100604 267342549 /nfs/dbraw/zinc/34/25/49/267342549.db2.gz WJRDYKRZSJRPBG-UAEOLWBESA-N 0 3 295.386 2.124 20 30 CEEDHN C[C@@H](CC#N)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000373035521 267631364 /nfs/dbraw/zinc/63/13/64/267631364.db2.gz MZWWBLAUAQBPNH-GXTWGEPZSA-N 0 3 263.385 2.202 20 30 CEEDHN C[C@@H]1CN(CCCSCC#N)C[C@H](C2CC2)O1 ZINC000373431501 267675478 /nfs/dbraw/zinc/67/54/78/267675478.db2.gz LTKHVVVWDHHSMV-DGCLKSJQSA-N 0 3 254.399 2.133 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000485956094 267940732 /nfs/dbraw/zinc/94/07/32/267940732.db2.gz VWIWMTJHGOQQES-RRFJBIMHSA-N 0 3 282.428 2.060 20 30 CEEDHN Cc1ccc([C@H](CNc2cncc(C#N)n2)N(C)C)cc1 ZINC000420578990 268045979 /nfs/dbraw/zinc/04/59/79/268045979.db2.gz BYDCQBFPRSBCES-HNNXBMFYSA-N 0 3 281.363 2.372 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCCF)cc1 ZINC000360821720 268085546 /nfs/dbraw/zinc/08/55/46/268085546.db2.gz ZXXIJSYKSOUBAY-AWEZNQCLSA-N 0 3 273.311 2.106 20 30 CEEDHN Cc1nnc(NCCN2CCCC2(C)C)c(C#N)c1C ZINC000450952318 268095145 /nfs/dbraw/zinc/09/51/45/268095145.db2.gz RYKSPMMUVGCXLZ-UHFFFAOYSA-N 0 3 273.384 2.251 20 30 CEEDHN C[C@H]1C[C@H](N(C)c2ncc3c(c2C#N)CCC3)CCN1C ZINC000425229065 271142184 /nfs/dbraw/zinc/14/21/84/271142184.db2.gz KXJZUQIXAVHUJJ-GXTWGEPZSA-N 0 3 284.407 2.361 20 30 CEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(C#N)o1 ZINC000429813493 271346510 /nfs/dbraw/zinc/34/65/10/271346510.db2.gz WLHYJTQEVPGTAP-JHJVBQTASA-N 0 3 289.379 2.247 20 30 CEEDHN CCN1CCC(Nc2nc3c(cc2C#N)CCC3)CC1 ZINC000042248397 273650420 /nfs/dbraw/zinc/65/04/20/273650420.db2.gz XYPFXSNPBUYRCV-UHFFFAOYSA-N 0 3 270.380 2.338 20 30 CEEDHN C[C@@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@@H]1C ZINC000177876095 274303593 /nfs/dbraw/zinc/30/35/93/274303593.db2.gz CEBVGJITURVIPR-XJKCOSOUSA-N 0 3 283.375 2.394 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)C23CCCN2CCC3)c1 ZINC000335082067 274677029 /nfs/dbraw/zinc/67/70/29/274677029.db2.gz BXLGYORKQZKCLZ-UHFFFAOYSA-N 0 3 269.348 2.434 20 30 CEEDHN N#Cc1c(NC2CCN(C3CC3)CC2)nc2ccccn12 ZINC000263938648 274918422 /nfs/dbraw/zinc/91/84/22/274918422.db2.gz ABJLBSXRNHJBEE-UHFFFAOYSA-N 0 3 281.363 2.245 20 30 CEEDHN N#Cc1cccc(CNC[C@@]2(O)CCc3ccccc32)c1 ZINC000269814519 274927529 /nfs/dbraw/zinc/92/75/29/274927529.db2.gz NJEGFCWJRIGWCN-SFHVURJKSA-N 0 3 278.355 2.482 20 30 CEEDHN C#CCCN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000276942950 275379642 /nfs/dbraw/zinc/37/96/42/275379642.db2.gz NQYHNXRDHAFZLR-DZGCQCFKSA-N 0 3 276.767 2.225 20 30 CEEDHN CCN1CCCC[C@@H]1C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000329178199 276152744 /nfs/dbraw/zinc/15/27/44/276152744.db2.gz NKEBLGCTATWWIL-SMDDNHRTSA-N 0 3 276.384 2.098 20 30 CEEDHN CCN1CCCC[C@@H]1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329178199 276152745 /nfs/dbraw/zinc/15/27/45/276152745.db2.gz NKEBLGCTATWWIL-SMDDNHRTSA-N 0 3 276.384 2.098 20 30 CEEDHN CN1CCC[C@]2(CCN(c3nc4ccccn4c3C#N)C2)C1 ZINC000292720141 277087276 /nfs/dbraw/zinc/08/72/76/277087276.db2.gz HKTGUPFKTNLCNW-KRWDZBQOSA-N 0 3 295.390 2.128 20 30 CEEDHN CN1CC[C@H]2CCN(c3ccc(C#N)cc3F)[C@H]2C1 ZINC000272226709 277177999 /nfs/dbraw/zinc/17/79/99/277177999.db2.gz TUGQCVHHKMQKEK-WFASDCNBSA-N 0 3 259.328 2.228 20 30 CEEDHN CC(C)CN(CC(=O)N[C@](C)(C#N)C(C)C)C1CC1 ZINC000051735078 277375835 /nfs/dbraw/zinc/37/58/35/277375835.db2.gz IYDQJKANHPXITE-OAHLLOKOSA-N 0 3 265.401 2.161 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000344484366 277846611 /nfs/dbraw/zinc/84/66/11/277846611.db2.gz NJZHNFFYINZNNL-BARDWOONSA-N 0 3 294.439 2.225 20 30 CEEDHN CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)[C@H]1C1CC1 ZINC000329732384 278290972 /nfs/dbraw/zinc/29/09/72/278290972.db2.gz ITRKQYGNBPVIIS-RISCZKNCSA-N 0 3 288.395 2.301 20 30 CEEDHN CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)[C@H]1C1CC1 ZINC000329732384 278290973 /nfs/dbraw/zinc/29/09/73/278290973.db2.gz ITRKQYGNBPVIIS-RISCZKNCSA-N 0 3 288.395 2.301 20 30 CEEDHN C[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(C#N)cc1 ZINC000283935870 278350963 /nfs/dbraw/zinc/35/09/63/278350963.db2.gz CUZRBVRSZLLYTI-OCCSQVGLSA-N 0 3 292.404 2.034 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1C[C@H](C)CC1(C)C ZINC000347516206 279214438 /nfs/dbraw/zinc/21/44/38/279214438.db2.gz LJVJYOHLARXIGS-OLZOCXBDSA-N 0 3 265.401 2.115 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](C)C(C)(C)C1 ZINC000354001566 279214507 /nfs/dbraw/zinc/21/45/07/279214507.db2.gz IOLFCSYUHSXFEA-UONOGXRCSA-N 0 3 279.428 2.363 20 30 CEEDHN N#Cc1ccc(OCCNCc2cncs2)cc1 ZINC000136227515 280059513 /nfs/dbraw/zinc/05/95/13/280059513.db2.gz CRVFHODNCIWJBB-UHFFFAOYSA-N 0 3 259.334 2.183 20 30 CEEDHN CC(C)(O)[C@@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000136255856 280059985 /nfs/dbraw/zinc/05/99/85/280059985.db2.gz QIKCBIDQMMEIJU-AWEZNQCLSA-N 0 3 262.328 2.433 20 30 CEEDHN Cc1cccc2c1OC[C@H](NCc1cc(C#N)n(C)c1)C2 ZINC000289765145 281298575 /nfs/dbraw/zinc/29/85/75/281298575.db2.gz XEJJMPVCNCQPAE-OAHLLOKOSA-N 0 3 281.359 2.299 20 30 CEEDHN Cc1cccc(NCCNCc2ccc(C#N)cc2)n1 ZINC000152777904 289097511 /nfs/dbraw/zinc/09/75/11/289097511.db2.gz CYBHVPSLZYJRKI-UHFFFAOYSA-N 0 3 266.348 2.463 20 30 CEEDHN C[C@H](C(=O)N(C)CC(C)(C)C#N)N1[C@H](C)CC[C@@H]1C ZINC000353246729 289250757 /nfs/dbraw/zinc/25/07/57/289250757.db2.gz JXFHITJVMSIKHB-FRRDWIJNSA-N 0 3 265.401 2.256 20 30 CEEDHN CN1CC[C@@H]2CCN(c3cccc(F)c3C#N)[C@H]2C1 ZINC000272182023 290160592 /nfs/dbraw/zinc/16/05/92/290160592.db2.gz KKDFHIDXJVMEGU-ABAIWWIYSA-N 0 3 259.328 2.228 20 30 CEEDHN N#Cc1ccc2ncc(CNCCc3ccccc3O)n2c1 ZINC000172339596 297488389 /nfs/dbraw/zinc/48/83/89/297488389.db2.gz MNDYATYNCYLVNQ-UHFFFAOYSA-N 0 3 292.342 2.244 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000539790308 298254512 /nfs/dbraw/zinc/25/45/12/298254512.db2.gz NEOZSQAYTRCGHC-CYBMUJFWSA-N 0 3 291.782 2.426 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@@H](CO)C3CCCCC3)n2c1 ZINC000551557873 298458068 /nfs/dbraw/zinc/45/80/68/298458068.db2.gz AXJQCXDLQNHYIH-INIZCTEOSA-N 0 3 298.390 2.237 20 30 CEEDHN Cc1nc(N2CCC[C@H]2CN(C)C)c(Cl)cc1C#N ZINC000292681616 302599222 /nfs/dbraw/zinc/59/92/22/302599222.db2.gz RABYVXREZYMRAX-LBPRGKRZSA-N 0 3 278.787 2.446 20 30 CEEDHN N#Cc1ccc(OC[C@H](O)CN2CCCC3(CC3)C2)cc1 ZINC000186984362 303196275 /nfs/dbraw/zinc/19/62/75/303196275.db2.gz JSWNFXQSGIVPMI-OAHLLOKOSA-N 0 3 286.375 2.174 20 30 CEEDHN C=CC1CCN([C@@H]2CCCN(C(C)C)C2=O)CC1 ZINC000177718281 327727328 /nfs/dbraw/zinc/72/73/28/327727328.db2.gz FSGKJENMBOMJHZ-CQSZACIVSA-N 0 3 250.386 2.284 20 30 CEEDHN N#CC1(c2ccccn2)CCN(C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000571289311 328098428 /nfs/dbraw/zinc/09/84/28/328098428.db2.gz XJBLLOGZONHBJU-HOTGVXAUSA-N 0 3 299.418 2.490 20 30 CEEDHN CCCN(CC#N)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000413199275 328142346 /nfs/dbraw/zinc/14/23/46/328142346.db2.gz IQBCUZWNWRBOSU-XQQFMLRXSA-N 0 3 251.374 2.010 20 30 CEEDHN CCn1ccnc1[C@H]1OCC[C@@H]1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000278415393 328225611 /nfs/dbraw/zinc/22/56/11/328225611.db2.gz QRKNLRUOKKHZFU-KBXIAJHMSA-N 0 3 288.395 2.405 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2COc3ccccc3[C@@H]2O)C1 ZINC000290247825 328258773 /nfs/dbraw/zinc/25/87/73/328258773.db2.gz JQPFNJKPJVMAAK-FIRUKDTASA-N 0 3 272.348 2.153 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(C(C)C)oc1C ZINC000294048807 328279021 /nfs/dbraw/zinc/27/90/21/328279021.db2.gz UBCBOKCEBHGLHT-UHFFFAOYSA-N 0 3 276.380 2.396 20 30 CEEDHN C#CCNC(=O)[C@H](C)NCC1(c2ccccc2)CCCC1 ZINC000119713459 328307378 /nfs/dbraw/zinc/30/73/78/328307378.db2.gz MLEVWRRALZNNPR-HNNXBMFYSA-N 0 3 284.403 2.226 20 30 CEEDHN CN(C)C1CN(c2cccc(C(F)F)c2C#N)C1 ZINC000583703595 322563357 /nfs/dbraw/zinc/56/33/57/322563357.db2.gz CCMVCAJTOSWSRO-UHFFFAOYSA-N 0 3 251.280 2.246 20 30 CEEDHN Cn1c2ccc(CNCC3(CC#N)CC3)cc2sc1=O ZINC000556412658 326940054 /nfs/dbraw/zinc/94/00/54/326940054.db2.gz UCECZQCVVUFQQC-UHFFFAOYSA-N 0 3 287.388 2.383 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C\c2cnc(C)s2)CC1 ZINC000255539749 326991807 /nfs/dbraw/zinc/99/18/07/326991807.db2.gz BZKXETRVXOWVCT-PLNGDYQASA-N 0 3 291.420 2.231 20 30 CEEDHN N#CC1(CCN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)CCCCC1 ZINC000569086612 327033497 /nfs/dbraw/zinc/03/34/97/327033497.db2.gz ZUJUPHFNCWSOIJ-KKUMJFAQSA-N 0 3 289.423 2.436 20 30 CEEDHN CC#CCCN1CCC(C(=O)Nc2ccccn2)CC1 ZINC000375179457 329001527 /nfs/dbraw/zinc/00/15/27/329001527.db2.gz XFNNODXMXZKPBR-UHFFFAOYSA-N 0 3 271.364 2.146 20 30 CEEDHN C#CCOc1ccc(CN[C@H]2CCO[C@H]2C2CC2)cc1 ZINC000378322059 329046200 /nfs/dbraw/zinc/04/62/00/329046200.db2.gz CIPXASUKHBLMOE-IRXDYDNUSA-N 0 3 271.360 2.356 20 30 CEEDHN C=CCCC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000171041876 329074373 /nfs/dbraw/zinc/07/43/73/329074373.db2.gz MEJAFAPGMXQLKY-CQSZACIVSA-N 0 3 250.386 2.430 20 30 CEEDHN C=CCCOCCNC(=O)Nc1cccc2c1CCNC2 ZINC000582653643 329125276 /nfs/dbraw/zinc/12/52/76/329125276.db2.gz GQMXJALHMRYLGX-UHFFFAOYSA-N 0 3 289.379 2.047 20 30 CEEDHN C#CCCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000174080848 329154028 /nfs/dbraw/zinc/15/40/28/329154028.db2.gz NJSQLPHXBXPPSD-KRWDZBQOSA-N 0 3 299.418 2.364 20 30 CEEDHN CC(C)(CCC#N)CNCc1nnc2n1CCCCC2 ZINC000174243631 329155870 /nfs/dbraw/zinc/15/58/70/329155870.db2.gz ATGXPYNINKMXQT-UHFFFAOYSA-N 0 3 275.400 2.424 20 30 CEEDHN C=C(C)CN(C)C(=O)NCCN(C)Cc1ccccc1 ZINC000180755155 329222690 /nfs/dbraw/zinc/22/26/90/329222690.db2.gz YKVPKCVHPNRUNU-UHFFFAOYSA-N 0 3 275.396 2.336 20 30 CEEDHN C=C(C)CN(C)C[C@H](O)COc1ccc(OCC)cc1 ZINC000181274802 329228811 /nfs/dbraw/zinc/22/88/11/329228811.db2.gz VRQPMGPZVSSBEX-AWEZNQCLSA-N 0 3 279.380 2.333 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000184274126 329258408 /nfs/dbraw/zinc/25/84/08/329258408.db2.gz WJGREFQMHNBBGQ-RDJZCZTQSA-N 0 3 291.391 2.271 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000185351719 329270835 /nfs/dbraw/zinc/27/08/35/329270835.db2.gz DAHJXWUDAGKTPA-HUUCEWRRSA-N 0 3 282.428 2.158 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@H](C)C1 ZINC000187989992 329364635 /nfs/dbraw/zinc/36/46/35/329364635.db2.gz ZTWFHFMOUPGOEC-KBPBESRZSA-N 0 3 265.401 2.117 20 30 CEEDHN N#CCCCN1CCC(NC(=O)c2cccs2)CC1 ZINC000049333375 329637284 /nfs/dbraw/zinc/63/72/84/329637284.db2.gz GMKCRKGCKWLRCA-UHFFFAOYSA-N 0 3 277.393 2.246 20 30 CEEDHN C[C@@H]1C[C@H](N2CCN([C@@H](C#N)c3ccccc3)CC2)CCO1 ZINC000420929215 329793535 /nfs/dbraw/zinc/79/35/35/329793535.db2.gz CORBNYYUVGFJSM-NXHRZFHOSA-N 0 3 299.418 2.436 20 30 CEEDHN Cc1noc(C2CCN(CCCSCC#N)CC2)n1 ZINC000074982150 329866001 /nfs/dbraw/zinc/86/60/01/329866001.db2.gz RFMFSCNFJYOCNZ-UHFFFAOYSA-N 0 3 280.397 2.204 20 30 CEEDHN CC(C)c1ccc(CNC[C@@H](O)CN(C)CCC#N)cc1 ZINC000572006808 329936870 /nfs/dbraw/zinc/93/68/70/329936870.db2.gz XPCKGZGOVDVQLB-QGZVFWFLSA-N 0 3 289.423 2.106 20 30 CEEDHN C=CCOc1ccc(C(=O)N2CCN[C@H](C)[C@H]2C)cc1 ZINC000262837856 330034952 /nfs/dbraw/zinc/03/49/52/330034952.db2.gz WODSBTOWTYUJDX-CHWSQXEVSA-N 0 3 274.364 2.074 20 30 CEEDHN C[C@@H]1CCC[C@]1(O)CNC(=N)Nc1cc(F)ccc1F ZINC000263099936 330043442 /nfs/dbraw/zinc/04/34/42/330043442.db2.gz JUPTVOZPEAZSTQ-OTYXRUKQSA-N 0 3 283.322 2.243 20 30 CEEDHN C#CCCOc1ccc(CN(CCOC)CCOC)cc1 ZINC000270974778 330077347 /nfs/dbraw/zinc/07/73/47/330077347.db2.gz ABMHUZBVJFAYHQ-UHFFFAOYSA-N 0 3 291.391 2.184 20 30 CEEDHN CCN(Cc1cccs1)C(=O)[C@H](N)CCCC#N ZINC000424064928 330219072 /nfs/dbraw/zinc/21/90/72/330219072.db2.gz KPPGHEQEDUNNQQ-GFCCVEGCSA-N 0 3 265.382 2.118 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCCc1cccc(Cl)c1 ZINC000424063818 330219120 /nfs/dbraw/zinc/21/91/20/330219120.db2.gz IZBRMSGGFZTPKF-CYBMUJFWSA-N 0 3 279.771 2.020 20 30 CEEDHN C[C@@H]1CCc2nc(NC(=O)[C@H](N)CCCC#N)sc2C1 ZINC000424066756 330219258 /nfs/dbraw/zinc/21/92/58/330219258.db2.gz NVEMUUUHDXKAIK-NXEZZACHSA-N 0 3 292.408 2.228 20 30 CEEDHN CN(Cc1ccc(Cl)s1)C(=O)[C@@H](N)CCCC#N ZINC000424067952 330219567 /nfs/dbraw/zinc/21/95/67/330219567.db2.gz QQSVETDNWVRQER-JTQLQIEISA-N 0 3 285.800 2.381 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000424068462 330219578 /nfs/dbraw/zinc/21/95/78/330219578.db2.gz ZFOWFBKZOOYLBJ-TUVASFSCSA-N 0 3 277.412 2.483 20 30 CEEDHN CC(C)CN(CC(C)C)C(=O)[C@@H](N)CCCC#N ZINC000424070711 330220122 /nfs/dbraw/zinc/22/01/22/330220122.db2.gz APBFIJSIXKHMBY-ZDUSSCGKSA-N 0 3 253.390 2.148 20 30 CEEDHN CCCN(Cc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000424075936 330220854 /nfs/dbraw/zinc/22/08/54/330220854.db2.gz KNLRAWCGVMRTNW-HNNXBMFYSA-N 0 3 273.380 2.446 20 30 CEEDHN Cc1cc(C)c(CNC(=O)[C@@H](N)CCCC#N)c(C)c1 ZINC000424090436 330224933 /nfs/dbraw/zinc/22/49/33/330224933.db2.gz IZLWEJJBYNHORW-HNNXBMFYSA-N 0 3 273.380 2.249 20 30 CEEDHN Cc1cc(C)cc(N(C)C(=O)[C@H](N)CCCC#N)c1 ZINC000424096320 330227199 /nfs/dbraw/zinc/22/71/99/330227199.db2.gz BYMXOIRXFXWYAP-CQSZACIVSA-N 0 3 259.353 2.287 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000424098869 330230625 /nfs/dbraw/zinc/23/06/25/330230625.db2.gz HUVRUOUYUNJJMB-KGLIPLIRSA-N 0 3 291.782 2.465 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N(Cc1cccs1)C1CC1 ZINC000424099447 330231396 /nfs/dbraw/zinc/23/13/96/330231396.db2.gz MCESGXQXDVRYND-CYBMUJFWSA-N 0 3 277.393 2.260 20 30 CEEDHN Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@H](N)CCCC#N ZINC000424107254 330234619 /nfs/dbraw/zinc/23/46/19/330234619.db2.gz YZYRMIUOQIOKJL-HUUCEWRRSA-N 0 3 271.364 2.120 20 30 CEEDHN C=CCCC1(C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000527243178 330240002 /nfs/dbraw/zinc/24/00/02/330240002.db2.gz ZDJCQOUYVSXIOU-CQSZACIVSA-N 0 3 262.397 2.430 20 30 CEEDHN CN(CCC1CCCCC1)C(=O)[C@@H](N)CCCC#N ZINC000424112386 330240324 /nfs/dbraw/zinc/24/03/24/330240324.db2.gz JLWSHQYNOCCSGD-AWEZNQCLSA-N 0 3 265.401 2.436 20 30 CEEDHN C[C@H](CN(C)C(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424114811 330242848 /nfs/dbraw/zinc/24/28/48/330242848.db2.gz SEJDEWRFXLLXJU-UKRRQHHQSA-N 0 3 273.380 2.270 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCc2c1cccc2Cl ZINC000424124797 330257373 /nfs/dbraw/zinc/25/73/73/330257373.db2.gz MSXDXFHJFJMJLP-GFCCVEGCSA-N 0 3 277.755 2.250 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](CC)CCCC ZINC000327969311 330258515 /nfs/dbraw/zinc/25/85/15/330258515.db2.gz FQOGSKSFRCILEW-AWEZNQCLSA-N 0 3 252.402 2.274 20 30 CEEDHN CSc1cc(C)ccc1CNC(=O)[C@@H](N)CCCC#N ZINC000424130787 330261792 /nfs/dbraw/zinc/26/17/92/330261792.db2.gz VERBYQSEXXUUHR-ZDUSSCGKSA-N 0 3 291.420 2.354 20 30 CEEDHN Cc1nc(C)c([C@H](C)N(C)C(=O)[C@H](N)CCCC#N)s1 ZINC000424143977 330288019 /nfs/dbraw/zinc/28/80/19/330288019.db2.gz KLZDOHUEIJHPJE-CMPLNLGQSA-N 0 3 294.424 2.301 20 30 CEEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](N)CCCC#N ZINC000424148250 330295062 /nfs/dbraw/zinc/29/50/62/330295062.db2.gz ZRIKNWSHLPGZQK-RFGFWPKPSA-N 0 3 263.385 2.187 20 30 CEEDHN CN1C(=O)c2ccccc2[C@@H]1CN[C@H]1CC[C@H](C#N)C1 ZINC000528003441 330300368 /nfs/dbraw/zinc/30/03/68/330300368.db2.gz PBHGYYZVDRVBJT-HUBLWGQQSA-N 0 3 269.348 2.095 20 30 CEEDHN Cc1cc(F)ccc1CN(C)C(=O)[C@H](N)CCCC#N ZINC000424163901 330308217 /nfs/dbraw/zinc/30/82/17/330308217.db2.gz AYUBURMDSBYIRD-CQSZACIVSA-N 0 3 277.343 2.114 20 30 CEEDHN Cn1nc(C2CCCC2)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424176345 330316406 /nfs/dbraw/zinc/31/64/06/330316406.db2.gz RVYWXECAFMVAKC-LBPRGKRZSA-N 0 3 289.383 2.037 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCCc2sccc21 ZINC000424196185 330325168 /nfs/dbraw/zinc/32/51/68/330325168.db2.gz VBWREQNTEOXQMX-VXGBXAGGSA-N 0 3 277.393 2.263 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000424208860 330328124 /nfs/dbraw/zinc/32/81/24/330328124.db2.gz SEICHMMFQBGAQT-MJBXVCDLSA-N 0 3 263.385 2.093 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCC[C@H]2F)cc1 ZINC000580488794 330347121 /nfs/dbraw/zinc/34/71/21/330347121.db2.gz GZURIYFKUUXTOD-ZNMIVQPWSA-N 0 3 285.322 2.247 20 30 CEEDHN N#C[C@@H]1CC[C@H](NC[C@@H]2COc3ccccc3O2)C1 ZINC000442643129 330778044 /nfs/dbraw/zinc/77/80/44/330778044.db2.gz FTPISTOALVXICV-FRRDWIJNSA-N 0 3 258.321 2.108 20 30 CEEDHN CS(=O)(=O)Cc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442781684 330782621 /nfs/dbraw/zinc/78/26/21/330782621.db2.gz NFMAXPAEDGRZPB-DOMZBBRYSA-N 0 3 292.404 2.013 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CCN(C)C)c1ccccc1 ZINC000448825682 330885101 /nfs/dbraw/zinc/88/51/01/330885101.db2.gz WZCMIOFRWVCDHI-CVEARBPZSA-N 0 3 288.391 2.172 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC000448921181 330888373 /nfs/dbraw/zinc/88/83/73/330888373.db2.gz LFLUUHMYFJSVDP-KCQAQPDRSA-N 0 3 262.397 2.189 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(N2CCCC2)nc1 ZINC000449523107 330933817 /nfs/dbraw/zinc/93/38/17/330933817.db2.gz WQJGPIIQKGENDX-CABCVRRESA-N 0 3 273.380 2.115 20 30 CEEDHN C=CCC[C@H](CO)NCc1scnc1C1CC1 ZINC000449702602 330945162 /nfs/dbraw/zinc/94/51/62/330945162.db2.gz ZGBPJYMQONUMGX-LLVKDONJSA-N 0 3 252.383 2.437 20 30 CEEDHN C=CCOc1cccc(CN[C@@H]2COC[C@H]2OCC)c1 ZINC000449720834 330945747 /nfs/dbraw/zinc/94/57/47/330945747.db2.gz SVDWJGSVIMNGAS-HZPDHXFCSA-N 0 3 277.364 2.145 20 30 CEEDHN C=C(CC)CNCc1cccc(S(C)(=O)=O)c1 ZINC000449735124 330946905 /nfs/dbraw/zinc/94/69/05/330946905.db2.gz PKOBSFAXVUEANE-UHFFFAOYSA-N 0 3 253.367 2.146 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000451596695 331035634 /nfs/dbraw/zinc/03/56/34/331035634.db2.gz GWSLHNXPRLDWRK-KHMAMNHCSA-N 0 3 280.412 2.098 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000451600970 331035915 /nfs/dbraw/zinc/03/59/15/331035915.db2.gz STNVWIKWLSUAKG-IMJJTQAJSA-N 0 3 288.391 2.361 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1c(C)cccc1CC ZINC000451605302 331036308 /nfs/dbraw/zinc/03/63/08/331036308.db2.gz JMFLRYUIOHGCER-CABCVRRESA-N 0 3 288.391 2.429 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(CC)cc1 ZINC000451609289 331036690 /nfs/dbraw/zinc/03/66/90/331036690.db2.gz VMSSLADGCPZGMF-CABCVRRESA-N 0 3 274.364 2.121 20 30 CEEDHN COC[C@H](CNC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000452759635 331075219 /nfs/dbraw/zinc/07/52/19/331075219.db2.gz UNQXDVSWGDYPPE-JQWIXIFHSA-N 0 3 280.755 2.346 20 30 CEEDHN C=C(C)CCNC(=O)NC[C@H]1CCCCN1CC ZINC000454496816 331147397 /nfs/dbraw/zinc/14/73/97/331147397.db2.gz ZLBYBLFHGVBZBH-CYBMUJFWSA-N 0 3 253.390 2.126 20 30 CEEDHN C[C@@H](N[C@H]1CC[C@H](C#N)C1)C(=O)NCCc1ccccc1 ZINC000453408814 331129577 /nfs/dbraw/zinc/12/95/77/331129577.db2.gz NTKHPQZOQKBLSN-KBMXLJTQSA-N 0 3 285.391 2.016 20 30 CEEDHN C[C@@H](N[C@H]1CC[C@@H](C#N)C1)C(=O)NCCc1ccccc1 ZINC000453408809 331129582 /nfs/dbraw/zinc/12/95/82/331129582.db2.gz NTKHPQZOQKBLSN-BMFZPTHFSA-N 0 3 285.391 2.016 20 30 CEEDHN C=CC(C)(C)CNC(=O)NC[C@H]1CCCCN1CC ZINC000454486849 331147159 /nfs/dbraw/zinc/14/71/59/331147159.db2.gz OILXKSRDSBLRRS-CYBMUJFWSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CC(C)(C)CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000454623910 331149949 /nfs/dbraw/zinc/14/99/49/331149949.db2.gz SGNZGWHKLHHLGJ-CYBMUJFWSA-N 0 3 267.417 2.372 20 30 CEEDHN N#CCc1cccc(NC(=O)NCCN2CCCCC2)c1 ZINC000455914652 331180929 /nfs/dbraw/zinc/18/09/29/331180929.db2.gz HATSNYOXZMBSIJ-UHFFFAOYSA-N 0 3 286.379 2.360 20 30 CEEDHN COc1cc(F)cc(C[C@@H](C)NC(=O)C(C)C#N)c1 ZINC000457042897 331210805 /nfs/dbraw/zinc/21/08/05/331210805.db2.gz AAOJNACAXHRDAO-VHSXEESVSA-N 0 3 264.300 2.041 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cccc(CC#N)c2)C1 ZINC000457107169 331212536 /nfs/dbraw/zinc/21/25/36/331212536.db2.gz FCIXVFITIXGNEX-MRXNPFEDSA-N 0 3 285.391 2.307 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)NCC#Cc2ccccc2)C1 ZINC000457590150 331228077 /nfs/dbraw/zinc/22/80/77/331228077.db2.gz KSRUSLKYGOYCHX-QGZVFWFLSA-N 0 3 299.418 2.162 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000457618992 331229204 /nfs/dbraw/zinc/22/92/04/331229204.db2.gz AITYYSFOVKYMAY-OCVGTWLNSA-N 0 3 292.423 2.099 20 30 CEEDHN C=CCSCCNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458106101 331243007 /nfs/dbraw/zinc/24/30/07/331243007.db2.gz ZSQKMHAFWVMWRD-CYBMUJFWSA-N 0 3 285.457 2.030 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ccn(C)n1 ZINC000458295968 331247527 /nfs/dbraw/zinc/24/75/27/331247527.db2.gz QOEFHLOJUXUPOV-HIFRSBDPSA-N 0 3 296.374 2.370 20 30 CEEDHN C=C(CC)CNC(=O)N(CCN(C)C)CC(C)C ZINC000459073648 331269249 /nfs/dbraw/zinc/26/92/49/331269249.db2.gz JVYKZVYEMHHJHJ-UHFFFAOYSA-N 0 3 255.406 2.182 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000469371126 331450254 /nfs/dbraw/zinc/45/02/54/331450254.db2.gz JQRYIBANEAYLOT-ARFHVFGLSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@H](C)CN1CCCCC1 ZINC000488383351 332003121 /nfs/dbraw/zinc/00/31/21/332003121.db2.gz XXOGNEWVEPLVRJ-CQSZACIVSA-N 0 3 275.396 2.278 20 30 CEEDHN C=CCn1cccc1C(=O)NCCN1CCCC[C@@H]1C ZINC000488493978 332013620 /nfs/dbraw/zinc/01/36/20/332013620.db2.gz GWUWVEHWDSYGHF-AWEZNQCLSA-N 0 3 275.396 2.278 20 30 CEEDHN C#CCN(C(=O)N[C@H]1CCN(C2CC2)C1)C1CCCCC1 ZINC000490648686 332099509 /nfs/dbraw/zinc/09/95/09/332099509.db2.gz BDRUJIQDNHACHO-AWEZNQCLSA-N 0 3 289.423 2.201 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC000490679400 332103051 /nfs/dbraw/zinc/10/30/51/332103051.db2.gz RYKNWUVJDPLOSP-HYVNUMGLSA-N 0 3 288.435 2.417 20 30 CEEDHN C#C[C@H](NC(=O)NCc1ccc(CN(C)C)cc1)C(C)C ZINC000490950900 332132563 /nfs/dbraw/zinc/13/25/63/332132563.db2.gz VCWNVZVCHUAGMS-INIZCTEOSA-N 0 3 287.407 2.205 20 30 CEEDHN C#CCN1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000491440284 332212053 /nfs/dbraw/zinc/21/20/53/332212053.db2.gz ODJUEPILFIVARF-ZDUSSCGKSA-N 0 3 266.385 2.389 20 30 CEEDHN C#CCN(CC[C@@H]1CCNC1=O)[C@@H]1CCc2ccccc21 ZINC000491450946 332213349 /nfs/dbraw/zinc/21/33/49/332213349.db2.gz CRGBDUVBXLEVSZ-DOTOQJQBSA-N 0 3 282.387 2.135 20 30 CEEDHN CC(C#N)C(=O)NCCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000491462879 332216263 /nfs/dbraw/zinc/21/62/63/332216263.db2.gz JQTJEBFXDBTMAL-NSHDSACASA-N 0 3 295.383 2.052 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H](C)CCSCC ZINC000491494444 332221957 /nfs/dbraw/zinc/22/19/57/332221957.db2.gz CMAXJRSMTDALLN-AWEZNQCLSA-N 0 3 299.484 2.115 20 30 CEEDHN C#CCN(C(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000491553905 332236256 /nfs/dbraw/zinc/23/62/56/332236256.db2.gz DQYDUMBSJQQMSA-HNNXBMFYSA-N 0 3 266.344 2.383 20 30 CEEDHN C#CCN(C)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000491631582 332254128 /nfs/dbraw/zinc/25/41/28/332254128.db2.gz OGHQBRAHNSSFRH-UHFFFAOYSA-N 0 3 299.418 2.316 20 30 CEEDHN C#CCN1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000491641121 332260576 /nfs/dbraw/zinc/26/05/76/332260576.db2.gz ZNWGDCOBIZVHFO-CYBMUJFWSA-N 0 3 251.370 2.454 20 30 CEEDHN C#C[C@H](NC(=O)[C@H](C(C)C)N(C)C)c1ccc(F)cc1 ZINC000491744888 332322818 /nfs/dbraw/zinc/32/28/18/332322818.db2.gz ZUWSBVPHSGIDSR-GJZGRUSLSA-N 0 3 276.355 2.202 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000491758976 332330658 /nfs/dbraw/zinc/33/06/58/332330658.db2.gz QIMQKEPWNCRYPH-NEPJUHHUSA-N 0 3 295.383 2.004 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(C2CC2)cc1 ZINC000491804498 332358284 /nfs/dbraw/zinc/35/82/84/332358284.db2.gz MKDJUAJZUPQLBP-UHFFFAOYSA-N 0 3 299.418 2.318 20 30 CEEDHN C#C[C@H](C)N(C)CCCn1c2ccccc2[nH]c1=O ZINC000491810004 332362888 /nfs/dbraw/zinc/36/28/88/332362888.db2.gz ZOZLVGSYANTRRP-LBPRGKRZSA-N 0 3 257.337 2.086 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](CC)C2CCCC2)CC1 ZINC000491814411 332365883 /nfs/dbraw/zinc/36/58/83/332365883.db2.gz CRZZTXMZZAOKRE-INIZCTEOSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(CSC)cc1 ZINC000491820367 332370191 /nfs/dbraw/zinc/37/01/91/332370191.db2.gz RDKYWEAFNVBILB-UHFFFAOYSA-N 0 3 290.432 2.235 20 30 CEEDHN C=CCC[C@H](C)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000575802108 335116512 /nfs/dbraw/zinc/11/65/12/335116512.db2.gz DDPYZYQEEWRPFO-QWHCGFSZSA-N 0 3 295.404 2.166 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C(C)C)C2CC2)CC1 ZINC000176158776 333039723 /nfs/dbraw/zinc/03/97/23/333039723.db2.gz ZWJWZGQVACAQLK-UHFFFAOYSA-N 0 3 265.401 2.219 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](c2cccnc2)C1 ZINC000516766537 333082122 /nfs/dbraw/zinc/08/21/22/333082122.db2.gz MQOXDVBAEOLPFJ-RDJZCZTQSA-N 0 3 299.418 2.460 20 30 CEEDHN C=CCCCCCN1CCN(CCC(=O)OC)C[C@@H]1C ZINC000193535104 333252544 /nfs/dbraw/zinc/25/25/44/333252544.db2.gz DDIOTCWNNMQEIR-HNNXBMFYSA-N 0 3 282.428 2.302 20 30 CEEDHN C=C(C)CNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000194440838 333271425 /nfs/dbraw/zinc/27/14/25/333271425.db2.gz SPDKNXQJHMRCKW-INIZCTEOSA-N 0 3 287.407 2.384 20 30 CEEDHN CNC(=O)[C@@H]1CCCCN1CCCCC(C)(C)C#N ZINC000234333120 333359542 /nfs/dbraw/zinc/35/95/42/333359542.db2.gz WBCREJBOXLXKCL-ZDUSSCGKSA-N 0 3 265.401 2.307 20 30 CEEDHN CNC(=O)[C@H]1CCCCN1CCCCC(C)(C)C#N ZINC000234343544 333359816 /nfs/dbraw/zinc/35/98/16/333359816.db2.gz WBCREJBOXLXKCL-CYBMUJFWSA-N 0 3 265.401 2.307 20 30 CEEDHN C[C@H](C#N)C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000338345216 335136012 /nfs/dbraw/zinc/13/60/12/335136012.db2.gz BHRWRZNMCXMDCZ-CYBMUJFWSA-N 0 3 273.380 2.173 20 30 CEEDHN C=CCN(CC=C)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528714183 333453188 /nfs/dbraw/zinc/45/31/88/333453188.db2.gz JSCANFORGMFCDE-UHFFFAOYSA-N 0 3 287.363 2.375 20 30 CEEDHN CC1CC(C#N)(C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000124177493 333556918 /nfs/dbraw/zinc/55/69/18/333556918.db2.gz GFBWHQAMLYWQIQ-BBBYJDLNSA-N 0 3 275.396 2.013 20 30 CEEDHN CCN(CCC#N)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000133422094 334040612 /nfs/dbraw/zinc/04/06/12/334040612.db2.gz ZTWVHNORKDJVNM-FRRDWIJNSA-N 0 3 251.374 2.010 20 30 CEEDHN CC(C)n1cc([C@@H](C)NCCOCCC#N)cn1 ZINC000549934065 334209655 /nfs/dbraw/zinc/20/96/55/334209655.db2.gz USYPIBAGBYISBS-GFCCVEGCSA-N 0 3 250.346 2.045 20 30 CEEDHN CN(C)[C@H](CNC[C@@H](C#N)CCC#N)c1ccccc1 ZINC000551683734 334257699 /nfs/dbraw/zinc/25/76/99/334257699.db2.gz PYXASTNAYAQGSO-GDBMZVCRSA-N 0 3 270.380 2.322 20 30 CEEDHN C[C@H](C1CC1)N(CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000248892867 334321230 /nfs/dbraw/zinc/32/12/30/334321230.db2.gz FAPNWWPZDAITEW-BDJLRTHQSA-N 0 3 275.396 2.058 20 30 CEEDHN C=CCN(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000249140788 334328789 /nfs/dbraw/zinc/32/87/89/334328789.db2.gz JNGNFRZQQPDHCY-LSDHHAIUSA-N 0 3 273.380 2.259 20 30 CEEDHN C=CC[C@H](CC)NCCS(=O)(=O)c1ccccc1 ZINC000566124589 334625608 /nfs/dbraw/zinc/62/56/08/334625608.db2.gz KOIZQTWLEYHXMZ-ZDUSSCGKSA-N 0 3 267.394 2.405 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(F)ccc1F ZINC000580696223 335372903 /nfs/dbraw/zinc/37/29/03/335372903.db2.gz USIOOUJEMLNURT-OCCSQVGLSA-N 0 3 296.317 2.227 20 30 CEEDHN CCC(CC)[C@@H](NCC(=O)NCC#N)c1ccccc1 ZINC000179790954 335518687 /nfs/dbraw/zinc/51/86/87/335518687.db2.gz JXAJFWSAGACQPV-MRXNPFEDSA-N 0 3 273.380 2.393 20 30 CEEDHN CC(C)(C)[C@@H](NC(=O)[C@@H](N)CCCC#N)C(F)(F)F ZINC000580768368 335616205 /nfs/dbraw/zinc/61/62/05/335616205.db2.gz RTEBHPMUFLSWRG-WCBMZHEXSA-N 0 3 279.306 2.101 20 30 CEEDHN C=CCCC1(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)CC1 ZINC000581438521 336078087 /nfs/dbraw/zinc/07/80/87/336078087.db2.gz RKYANMWAQBXNIQ-UONOGXRCSA-N 0 3 262.397 2.428 20 30 CEEDHN C=C1CCN(C(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000382595124 336094727 /nfs/dbraw/zinc/09/47/27/336094727.db2.gz KDBMXQWLWGPYGS-AWEZNQCLSA-N 0 3 250.386 2.463 20 30 CEEDHN CCCN(CC(=O)N(CC)C[C@@H](C)C#N)C(C)C ZINC000581734689 336140076 /nfs/dbraw/zinc/14/00/76/336140076.db2.gz UBEXWFDSMXDERS-ZDUSSCGKSA-N 0 3 253.390 2.115 20 30 CEEDHN C=C(C)Cn1c(CC)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000581917567 336165283 /nfs/dbraw/zinc/16/52/83/336165283.db2.gz INYBOBDWEVHVNQ-CQSZACIVSA-N 0 3 289.427 2.090 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000662857849 500580525 /nfs/dbraw/zinc/58/05/25/500580525.db2.gz RKAAPIJOTSCHJU-RYUDHWBXSA-N 0 3 272.339 2.046 20 30 CEEDHN C[C@H](N[C@H]1CCN(c2ccn(C)n2)C1)c1ccc(C#N)cc1 ZINC000372640920 500928696 /nfs/dbraw/zinc/92/86/96/500928696.db2.gz PZOXRHKCXYCJHH-BBRMVZONSA-N 0 3 295.390 2.221 20 30 CEEDHN C[C@@H]1CCC[C@@]1(O)CNCc1ccc(C#N)c(F)c1 ZINC000404153980 533813363 /nfs/dbraw/zinc/81/33/63/533813363.db2.gz UNODRRNXOLPPSA-IAQYHMDHSA-N 0 3 262.328 2.338 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357533214 533897191 /nfs/dbraw/zinc/89/71/91/533897191.db2.gz KWIUIUTWLCAXIT-FZMZJTMJSA-N 0 3 288.351 2.243 20 30 CEEDHN C[S@@](=O)C1(CNCc2ccc(C#N)c(F)c2)CCC1 ZINC000403990431 534190733 /nfs/dbraw/zinc/19/07/33/534190733.db2.gz DMBTWUZXZSZBGZ-LJQANCHMSA-N 0 3 280.368 2.088 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000335956377 534285660 /nfs/dbraw/zinc/28/56/60/534285660.db2.gz LZTZIZXKOLKOKI-SKDRFNHKSA-N 0 3 262.284 2.315 20 30 CEEDHN CN1C[C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)CC1=O ZINC000583700952 517950154 /nfs/dbraw/zinc/95/01/54/517950154.db2.gz HDCHEHXGWNYLJL-GOEBONIOSA-N 0 3 283.375 2.146 20 30 CEEDHN C#CCSCCNCc1cncc(Br)c1 ZINC000183716863 518337230 /nfs/dbraw/zinc/33/72/30/518337230.db2.gz CIXGHWKFZVREQF-UHFFFAOYSA-N 0 3 285.210 2.300 20 30 CEEDHN C=CC[C@@H](CO)NCc1nc2cc(Cl)ccc2n1C ZINC000184285372 519104222 /nfs/dbraw/zinc/10/42/22/519104222.db2.gz CHZTZRZFNLZURA-NSHDSACASA-N 0 3 279.771 2.253 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(OC)c(Cl)c1 ZINC000184287216 519104961 /nfs/dbraw/zinc/10/49/61/519104961.db2.gz OXTIGHZGUWQZFR-NSHDSACASA-N 0 3 255.745 2.375 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](C)CC1 ZINC000068828522 521235705 /nfs/dbraw/zinc/23/57/05/521235705.db2.gz IDAYPKDFDMDNLZ-UONOGXRCSA-N 0 3 265.401 2.117 20 30 CEEDHN CCC[C@]1(CO)CCCN1Cc1cc(C#N)n(C)c1 ZINC000278647433 521316032 /nfs/dbraw/zinc/31/60/32/521316032.db2.gz JLLJXJZVGKPZQL-OAHLLOKOSA-N 0 3 261.369 2.024 20 30 CEEDHN Cc1nc2c(s1)[C@@H](N(C)C(=O)C(C)C#N)CCC2 ZINC000334685263 534634277 /nfs/dbraw/zinc/63/42/77/534634277.db2.gz VWVRHYBVNMSSJK-KWQFWETISA-N 0 3 263.366 2.447 20 30 CEEDHN O=C(NCc1ccncn1)[C@@H]1CCCN1C1CCCC1 ZINC000329202751 534757296 /nfs/dbraw/zinc/75/72/96/534757296.db2.gz XBUDSUMXLYNUJX-AWEZNQCLSA-N 0 3 274.368 2.340 20 30 CEEDHN Cc1ccccc1C1(CNC(=O)C(C)C#N)CCOCC1 ZINC000347065578 534801438 /nfs/dbraw/zinc/80/14/38/534801438.db2.gz JNWKBPRHABLBDB-AWEZNQCLSA-N 0 3 286.375 2.319 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)c2c[nH]c(C#N)c2)N(C)C)cc1 ZINC000181256906 525957336 /nfs/dbraw/zinc/95/73/36/525957336.db2.gz KAHBXNGDWFZAJG-INIZCTEOSA-N 0 3 296.374 2.228 20 30 CEEDHN CC(C)(C)OC(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC000404590644 526465173 /nfs/dbraw/zinc/46/51/73/526465173.db2.gz RBZRWKULIGLMBO-UHFFFAOYSA-N 0 3 293.342 2.312 20 30 CEEDHN N#Cc1ccc(CN2CCCN(C3CC3)CC2)c(F)c1 ZINC000145745128 526611418 /nfs/dbraw/zinc/61/14/18/526611418.db2.gz UDYSTPSWSONJCK-UHFFFAOYSA-N 0 3 273.355 2.367 20 30 CEEDHN C=CCOCCCN(CC)CC(=O)N1CCCCCC1 ZINC000353174499 526747518 /nfs/dbraw/zinc/74/75/18/526747518.db2.gz QFXCNSYOCDWWBE-UHFFFAOYSA-N 0 3 282.428 2.304 20 30 CEEDHN C=CCOCCCN(Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000347957890 526749104 /nfs/dbraw/zinc/74/91/04/526749104.db2.gz ATWICSFNZCPQPX-UHFFFAOYSA-N 0 3 288.391 2.343 20 30 CEEDHN C=CCOc1ccc(CN[C@H](C)C[S@](C)=O)cc1 ZINC000168143522 526890895 /nfs/dbraw/zinc/89/08/95/526890895.db2.gz OMIHUJIYDDRKMB-KZULUSFZSA-N 0 3 267.394 2.108 20 30 CEEDHN C=CCC1(C(=O)NCCCN2CCCO[C@H](C)C2)CCC1 ZINC000347187981 527051481 /nfs/dbraw/zinc/05/14/81/527051481.db2.gz FXKYXKDOZHSIFT-OAHLLOKOSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CCCCCCN(C)CC(=O)NC1(C#N)CCC1 ZINC000347061021 527127072 /nfs/dbraw/zinc/12/70/72/527127072.db2.gz WAORWAHVWZAIBO-UHFFFAOYSA-N 0 3 263.385 2.227 20 30 CEEDHN Cn1cc(CN2CCCC[C@H]2Cn2cccn2)cc1C#N ZINC000365234033 527200062 /nfs/dbraw/zinc/20/00/62/527200062.db2.gz LVRPCQHBIHQBMC-HNNXBMFYSA-N 0 3 283.379 2.148 20 30 CEEDHN CCC[C@H]1CCCCN1CC(=O)NC1(C#N)CCC1 ZINC000347245836 528366724 /nfs/dbraw/zinc/36/67/24/528366724.db2.gz ISMDKTFVOKXNFP-ZDUSSCGKSA-N 0 3 263.385 2.203 20 30 CEEDHN CCN(CCC1CC1)CC(=O)N(CC)C[C@H](C)C#N ZINC000355056403 528422922 /nfs/dbraw/zinc/42/29/22/528422922.db2.gz KHAFRHCFJZJFMU-CYBMUJFWSA-N 0 3 265.401 2.117 20 30 CEEDHN CCC[C@](C)(O)CNCc1ccc(C#N)c(F)c1 ZINC000404135534 528482640 /nfs/dbraw/zinc/48/26/40/528482640.db2.gz WZGQCJBKBAAZEZ-AWEZNQCLSA-N 0 3 250.317 2.338 20 30 CEEDHN CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)C(C)C#N ZINC000353837732 528860690 /nfs/dbraw/zinc/86/06/90/528860690.db2.gz VBBJMHRAHCMITO-LLVKDONJSA-N 0 3 291.326 2.161 20 30 CEEDHN CC(C)[C@H](C(=O)NCCCCC#N)N1CCCCC1 ZINC000354887228 528917253 /nfs/dbraw/zinc/91/72/53/528917253.db2.gz BOSTWVHXKSAIAU-CQSZACIVSA-N 0 3 265.401 2.307 20 30 CEEDHN CCC1(C[NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)CCC1 ZINC000330176857 529033149 /nfs/dbraw/zinc/03/31/49/529033149.db2.gz CNZCEJNUBDATJW-GFCCVEGCSA-N 0 3 276.384 2.282 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)[C@](C)(C#N)CC ZINC000352824284 529201535 /nfs/dbraw/zinc/20/15/35/529201535.db2.gz MJSFDRGMQJPOGT-ZFWWWQNUSA-N 0 3 265.401 2.307 20 30 CEEDHN CCC[C@H](C)CN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000245645065 535610611 /nfs/dbraw/zinc/61/06/11/535610611.db2.gz FLZJZKBOVSPINN-UONOGXRCSA-N 0 3 287.411 2.295 20 30 CEEDHN CN(C)CCN1CCC(Nc2ccc(C#N)cc2F)CC1 ZINC000263741665 535873919 /nfs/dbraw/zinc/87/39/19/535873919.db2.gz RMHFJEZOHJSPEI-UHFFFAOYSA-N 0 3 290.386 2.135 20 30 CEEDHN Cc1ccc([C@H](O)CNCc2cc(C#N)cs2)o1 ZINC000748099042 574433930 /nfs/dbraw/zinc/43/39/30/574433930.db2.gz BYDZDXRNHAFLTR-GFCCVEGCSA-N 0 3 262.334 2.344 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](CCC)c2ccccn2)CC1 ZINC000729387374 574486378 /nfs/dbraw/zinc/48/63/78/574486378.db2.gz WYOSXVDHYYYMKJ-QGZVFWFLSA-N 0 3 299.418 2.384 20 30 CEEDHN C#CCOCCN[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000753767862 574515675 /nfs/dbraw/zinc/51/56/75/574515675.db2.gz MTDDMDRXNDQDRS-GFCCVEGCSA-N 0 3 293.363 2.013 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)CCC1=NN1CCOCC1 ZINC000734362147 574709647 /nfs/dbraw/zinc/70/96/47/574709647.db2.gz MFZKYSGKWOBJEA-OAHLLOKOSA-N 0 3 287.407 2.217 20 30 CEEDHN C=CCNC(=S)N1CCN(C2CCC(C)CC2)CC1 ZINC000734381681 574710126 /nfs/dbraw/zinc/71/01/26/574710126.db2.gz VBPFMVQZTXVNDL-UHFFFAOYSA-N 0 3 281.469 2.243 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000736672591 574794379 /nfs/dbraw/zinc/79/43/79/574794379.db2.gz MJISBPUOGBNODR-GZMMTYOYSA-N 0 3 286.253 2.015 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000736673433 574794469 /nfs/dbraw/zinc/79/44/69/574794469.db2.gz XIUOVLRJEHYGJN-NWDGAFQWSA-N 0 3 285.347 2.150 20 30 CEEDHN C[C@@H](C#N)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000741334053 574982802 /nfs/dbraw/zinc/98/28/02/574982802.db2.gz ZTJOPNRYQMGMFA-ZDUSSCGKSA-N 0 3 272.348 2.354 20 30 CEEDHN C#CCCOc1ccc(CNCCn2cnnc2CC)cc1 ZINC000742388975 575019077 /nfs/dbraw/zinc/01/90/77/575019077.db2.gz VOEWOMRXCVJJHX-UHFFFAOYSA-N 0 3 298.390 2.032 20 30 CEEDHN CC(N=Nc1ncccn1)c1ccc(OCCN(C)C)cc1 ZINC000748133799 575178818 /nfs/dbraw/zinc/17/88/18/575178818.db2.gz QONSDEKACWUKFA-UHFFFAOYSA-N 0 3 299.378 2.253 20 30 CEEDHN C#CCN(CC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000749155394 575207434 /nfs/dbraw/zinc/20/74/34/575207434.db2.gz QQSFTBFQBAFZCY-LBPRGKRZSA-N 0 3 297.383 2.428 20 30 CEEDHN C=C(Cl)CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000749241273 575210782 /nfs/dbraw/zinc/21/07/82/575210782.db2.gz LUFQOFSMSGYRCX-LBPRGKRZSA-N 0 3 256.777 2.262 20 30 CEEDHN CN(C[C@@H]1CCOC1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000749968204 575242078 /nfs/dbraw/zinc/24/20/78/575242078.db2.gz WBRDXPFXIGGHIH-HNNXBMFYSA-N 0 3 296.374 2.348 20 30 CEEDHN COc1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000752155298 575306063 /nfs/dbraw/zinc/30/60/63/575306063.db2.gz OPCLONOPHHCMTA-SNVBAGLBSA-N 0 3 292.298 2.457 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000970550504 612961703 /nfs/dbraw/zinc/96/17/03/612961703.db2.gz UBHXYPVPAZAEAY-QGZVFWFLSA-N 0 3 292.382 2.206 20 30 CEEDHN 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631124873 /nfs/dbraw/zinc/12/48/73/631124873.db2.gz NUDWNAQPJGDGAJ-UHFFFAOYSA-N 0 3 287.407 2.337 20 30 CEEDHN CC#CC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000801191866 631232605 /nfs/dbraw/zinc/23/26/05/631232605.db2.gz FTIOGLDCEZQOQM-MRXNPFEDSA-N 0 3 270.376 2.133 20 30 CEEDHN C[C@H](C#N)OCCN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000801911215 631350638 /nfs/dbraw/zinc/35/06/38/631350638.db2.gz GQTONLWETXKCGC-PBHICJAKSA-N 0 3 288.391 2.361 20 30 CEEDHN Cc1cccc(OCCN(C)CCO[C@@H](C)C#N)c1 ZINC000801911884 631352036 /nfs/dbraw/zinc/35/20/36/631352036.db2.gz VPJDBTAUZCXJCD-AWEZNQCLSA-N 0 3 262.353 2.234 20 30 CEEDHN C[C@H](C#N)OCCN1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000801927387 631357807 /nfs/dbraw/zinc/35/78/07/631357807.db2.gz OUCCBXLXLFLCQB-MGPQQGTHSA-N 0 3 278.352 2.096 20 30 CEEDHN C[C@H](CN(C)CCO[C@@H](C)C#N)c1nccs1 ZINC000801940195 631365812 /nfs/dbraw/zinc/36/58/12/631365812.db2.gz YTURWMAYRWWBID-MNOVXSKESA-N 0 3 253.371 2.107 20 30 CEEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)s2)CN1C(=O)C1CC1 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Cc1cc(CN[C@H]2COc3ccccc3[C@@H]2O)ccc1C#N ZINC000808453713 631965492 /nfs/dbraw/zinc/96/54/92/631965492.db2.gz JUSPCIJWMFQPIP-WMZOPIPTSA-N 0 3 294.354 2.451 20 30 CEEDHN COc1ccc(CNCc2ccc(CCO)cc2)cc1C#N ZINC000898172387 632080783 /nfs/dbraw/zinc/08/07/83/632080783.db2.gz FYBVWGCCOZQEST-UHFFFAOYSA-N 0 3 296.370 2.391 20 30 CEEDHN CC(C)(C)N1CC[C@](F)(C(=O)NCC2(C#N)CCC2)C1 ZINC000841473741 632131490 /nfs/dbraw/zinc/13/14/90/632131490.db2.gz PRLCJYZSOFFMCX-OAHLLOKOSA-N 0 3 281.375 2.009 20 30 CEEDHN C=C(CC)C[N@@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810065764 632174562 /nfs/dbraw/zinc/17/45/62/632174562.db2.gz DLJGKTADWIQBDN-NSHDSACASA-N 0 3 278.318 2.343 20 30 CEEDHN C=C(CC)C[N@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810065764 632174568 /nfs/dbraw/zinc/17/45/68/632174568.db2.gz DLJGKTADWIQBDN-NSHDSACASA-N 0 3 278.318 2.343 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(Cl)cs2)C1 ZINC000989512115 632196709 /nfs/dbraw/zinc/19/67/09/632196709.db2.gz XWAGNWKABAHVGY-MWLCHTKSSA-N 0 3 282.796 2.227 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccsc2Cl)C1 ZINC000989524101 632197796 /nfs/dbraw/zinc/19/77/96/632197796.db2.gz VCSBIKOREASQGM-UWVGGRQHSA-N 0 3 282.796 2.227 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc3c2ccn3C)C1 ZINC000989561428 632205728 /nfs/dbraw/zinc/20/57/28/632205728.db2.gz CUHPKNPIUVLRLW-ZIAGYGMSSA-N 0 3 295.386 2.004 20 30 CEEDHN C#CCCN1CCCN(C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000989638027 632217542 /nfs/dbraw/zinc/21/75/42/632217542.db2.gz LSSSQFBIZMAMSJ-UHFFFAOYSA-N 0 3 296.414 2.347 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)s2)C1 ZINC000989752371 632238612 /nfs/dbraw/zinc/23/86/12/632238612.db2.gz LVPRGCUDAKJEPJ-NXEZZACHSA-N 0 3 282.796 2.227 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(Cl)s2)C1 ZINC000989752373 632239005 /nfs/dbraw/zinc/23/90/05/632239005.db2.gz LVPRGCUDAKJEPJ-VHSXEESVSA-N 0 3 282.796 2.227 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccc(C)n3C)CCC[C@@H]12 ZINC000989953870 632289410 /nfs/dbraw/zinc/28/94/10/632289410.db2.gz JAKOQNBCOIVKAT-AEFFLSMTSA-N 0 3 299.418 2.084 20 30 CEEDHN C=CC[N@@H+]1CC[C@@]2(NC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC000989960437 632290632 /nfs/dbraw/zinc/29/06/32/632290632.db2.gz IMYGVADQHPEHJA-WBVHZDCISA-N 0 3 286.375 2.305 20 30 CEEDHN C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC000989960437 632290636 /nfs/dbraw/zinc/29/06/36/632290636.db2.gz IMYGVADQHPEHJA-WBVHZDCISA-N 0 3 286.375 2.305 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ncoc3CC)CCC[C@@H]12 ZINC000990058853 632308346 /nfs/dbraw/zinc/30/83/46/632308346.db2.gz WKOLBGIGQCXPSY-CZUORRHYSA-N 0 3 289.379 2.150 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)CCC[C@H]12 ZINC000990164097 632322828 /nfs/dbraw/zinc/32/28/28/632322828.db2.gz RSJBZUUFCYXVDA-IMSKVBIZSA-N 0 3 286.419 2.169 20 30 CEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3coc(C)n3)CCC[C@@H]12 ZINC000990378535 632342515 /nfs/dbraw/zinc/34/25/15/632342515.db2.gz UYQZXWRCPKZEQI-ZBFHGGJFSA-N 0 3 289.379 2.286 20 30 CEEDHN C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187257 632354773 /nfs/dbraw/zinc/35/47/73/632354773.db2.gz DLUAKJCMGDCDFJ-CQSZACIVSA-N 0 3 288.347 2.295 20 30 CEEDHN C[N@H+]1CCCC[C@@H]1CCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187257 632354779 /nfs/dbraw/zinc/35/47/79/632354779.db2.gz DLUAKJCMGDCDFJ-CQSZACIVSA-N 0 3 288.347 2.295 20 30 CEEDHN C=CC(C)(C)NCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000898460198 632504307 /nfs/dbraw/zinc/50/43/07/632504307.db2.gz HDTIRFOQCGRPOY-UHFFFAOYSA-N 0 3 288.800 2.042 20 30 CEEDHN C=C1CN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000898696203 632582921 /nfs/dbraw/zinc/58/29/21/632582921.db2.gz RQFFLSLDBZVOEK-UHFFFAOYSA-N 0 3 256.349 2.294 20 30 CEEDHN CCN(CC#CCOC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812853025 632595741 /nfs/dbraw/zinc/59/57/41/632595741.db2.gz MTTZFSUMJFEGSS-GOEBONIOSA-N 0 3 261.365 2.080 20 30 CEEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCC#N)cc1 ZINC000813059598 632612496 /nfs/dbraw/zinc/61/24/96/632612496.db2.gz CPDLKOBXZXFXOO-ZDUSSCGKSA-N 0 3 285.303 2.036 20 30 CEEDHN CC(COC(=O)c1ccc(C2(C#N)CC2)cc1)[N+](=O)[O-] ZINC000813102828 632622145 /nfs/dbraw/zinc/62/21/45/632622145.db2.gz WFQMJMCANFUUEU-SNVBAGLBSA-N 0 3 274.276 2.064 20 30 CEEDHN CC(COC(=O)c1ccc(C#N)c(Cl)c1)[N+](=O)[O-] ZINC000813109868 632626595 /nfs/dbraw/zinc/62/65/95/632626595.db2.gz XDDXYRCBTTZQHX-ZETCQYMHSA-N 0 3 268.656 2.034 20 30 CEEDHN CC[C@](C)(C#N)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000813432567 632690603 /nfs/dbraw/zinc/69/06/03/632690603.db2.gz ZARJNWZFJHJIQR-HEHGZKQESA-N 0 3 286.331 2.099 20 30 CEEDHN CCCCCCCC(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000816752229 633472078 /nfs/dbraw/zinc/47/20/78/633472078.db2.gz VDLXFHLJXIDPJG-UHFFFAOYSA-N 0 3 295.471 2.053 20 30 CEEDHN C[C@H]1CN(C(=O)[C@H](N)CCCC#N)Cc2ccccc21 ZINC000818048981 633848964 /nfs/dbraw/zinc/84/89/64/633848964.db2.gz YQAVUBPWBICKNS-SWLSCSKDSA-N 0 3 271.364 2.153 20 30 CEEDHN C=CCCCCCN(C)C(=O)c1ccnn1CCN(C)C ZINC000900792767 633852058 /nfs/dbraw/zinc/85/20/58/633852058.db2.gz ICFVIUNAJWDHSD-UHFFFAOYSA-N 0 3 292.427 2.263 20 30 CEEDHN CS(=O)(=O)CCN[C@@H](CCCC#N)c1ccccc1 ZINC000819330622 634143752 /nfs/dbraw/zinc/14/37/52/634143752.db2.gz XMYLHPZQQURMFQ-AWEZNQCLSA-N 0 3 280.393 2.056 20 30 CEEDHN C[C@H](NC[C@H](O)CC(C)(C)C)c1cc(C#N)ccn1 ZINC000902808456 634831787 /nfs/dbraw/zinc/83/17/87/634831787.db2.gz ISUOOYDBYNZQID-WCQYABFASA-N 0 3 261.369 2.401 20 30 CEEDHN Cc1nn(CCC#N)c(C)c1OCCN1CCCCC1 ZINC000902910673 634893456 /nfs/dbraw/zinc/89/34/56/634893456.db2.gz HSGDFXANEVGQRS-UHFFFAOYSA-N 0 3 276.384 2.278 20 30 CEEDHN CC[C@H](N[C@@H](CC)c1cccc(C#N)c1)C(=O)NC ZINC000903014913 634925502 /nfs/dbraw/zinc/92/55/02/634925502.db2.gz BEWGEDDYLACABP-KBPBESRZSA-N 0 3 259.353 2.124 20 30 CEEDHN COC1([C@@H](C)N[C@@H](C)c2cc(C#N)ccn2)CCOCC1 ZINC000903022543 634944938 /nfs/dbraw/zinc/94/49/38/634944938.db2.gz JYFIAZQHNMOKSE-QWHCGFSZSA-N 0 3 289.379 2.188 20 30 CEEDHN C=CCC[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1)C1CC1 ZINC000903398833 635108833 /nfs/dbraw/zinc/10/88/33/635108833.db2.gz UHFAZXONRQZJOD-KGLIPLIRSA-N 0 3 288.395 2.095 20 30 CEEDHN C#CC[C@H]1CCCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000824021526 635324289 /nfs/dbraw/zinc/32/42/89/635324289.db2.gz NKNSRTCGUCFSQR-HOCLYGCPSA-N 0 3 274.408 2.265 20 30 CEEDHN C=CCCc1noc(-c2ccc3c(c2)CC[C@H](N)C(=O)N3)n1 ZINC000904732847 635715720 /nfs/dbraw/zinc/71/57/20/635715720.db2.gz FPPZMOROZFXBTC-LBPRGKRZSA-N 0 3 298.346 2.067 20 30 CEEDHN C=CCCc1noc(-c2ccc3c(c2)OCCNC3)n1 ZINC000904734461 635716770 /nfs/dbraw/zinc/71/67/70/635716770.db2.gz MQKWMRSDLGDHDQ-UHFFFAOYSA-N 0 3 271.320 2.337 20 30 CEEDHN Cc1c(-c2cc(CN(C)C)ccc2F)cc(C#N)c(=O)n1C ZINC000904806133 635739768 /nfs/dbraw/zinc/73/97/68/635739768.db2.gz RUPDYWXKLDPVEW-UHFFFAOYSA-N 0 3 299.349 2.433 20 30 CEEDHN COc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1OC ZINC000905079309 635796097 /nfs/dbraw/zinc/79/60/97/635796097.db2.gz ANVHHTXFTOIUKK-NJQKBMNKSA-N 0 3 285.303 2.136 20 30 CEEDHN COc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1C ZINC000905079600 635796546 /nfs/dbraw/zinc/79/65/46/635796546.db2.gz CIZJYWQESAVPSF-VPMLRQHESA-N 0 3 269.304 2.436 20 30 CEEDHN CC1/C(=C/c2ccc3c(c2)CCO3)C(=O)c2ncnn21 ZINC000905081284 635797724 /nfs/dbraw/zinc/79/77/24/635797724.db2.gz QRBKJOPYJOCHHR-PPLKPFPSSA-N 0 3 267.288 2.054 20 30 CEEDHN CC1/C(=C/c2cn(C)nc2C(C)(C)C)C(=O)c2ncnn21 ZINC000905085070 635799698 /nfs/dbraw/zinc/79/96/98/635799698.db2.gz LYNNJEVKLDYUEO-ISAHRAOESA-N 0 3 285.351 2.150 20 30 CEEDHN CC[C@H](C#N)Oc1cccc(CNC[C@](C)(O)C(F)F)c1 ZINC000905118531 635825639 /nfs/dbraw/zinc/82/56/39/635825639.db2.gz WSUUUESBZWEQKE-DOMZBBRYSA-N 0 3 298.333 2.473 20 30 CEEDHN COCCC1CN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000826898866 635875174 /nfs/dbraw/zinc/87/51/74/635875174.db2.gz AXMITCCCGYAXHK-ZDUSSCGKSA-N 0 3 274.364 2.446 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(C#N)ccc1F ZINC000827204567 636255800 /nfs/dbraw/zinc/25/58/00/636255800.db2.gz XUWVFINYCVERCF-CYBMUJFWSA-N 0 3 289.354 2.302 20 30 CEEDHN Cc1ccc(CNC[C@H](O)CC(C)(C)C#N)c(Cl)n1 ZINC000905433599 636278908 /nfs/dbraw/zinc/27/89/08/636278908.db2.gz ZPLDQEJBHIZPJZ-GFCCVEGCSA-N 0 3 281.787 2.434 20 30 CEEDHN Cc1cnc(CNC[C@@H](O)CC(C)(C)C#N)c(C)c1 ZINC000905579960 636339811 /nfs/dbraw/zinc/33/98/11/636339811.db2.gz PSORDFPLTLMHHL-ZDUSSCGKSA-N 0 3 261.369 2.089 20 30 CEEDHN C#C[C@H](NCc1c(C)nc2ccccn21)C1CCOCC1 ZINC000827569813 636356652 /nfs/dbraw/zinc/35/66/52/636356652.db2.gz GPURBHYVJNNLMG-HNNXBMFYSA-N 0 3 283.375 2.161 20 30 CEEDHN C#C[C@@H](NCc1cnn(C(C)(C)C)c1)C1CCOCC1 ZINC000827571002 636356823 /nfs/dbraw/zinc/35/68/23/636356823.db2.gz VPGAOPQSVIFJFD-OAHLLOKOSA-N 0 3 275.396 2.156 20 30 CEEDHN CC1(C)C[C@@]1(C)CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000905779423 636437416 /nfs/dbraw/zinc/43/74/16/636437416.db2.gz BIAVYTGXOPSQCV-BBRMVZONSA-N 0 3 271.364 2.110 20 30 CEEDHN C[C@H](C#N)OCCN1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000828917983 636721702 /nfs/dbraw/zinc/72/17/02/636721702.db2.gz KLCSLFVICLDVOY-MCIONIFRSA-N 0 3 296.411 2.215 20 30 CEEDHN C[C@H](C#N)OCCN1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000828917986 636722415 /nfs/dbraw/zinc/72/24/15/636722415.db2.gz KLCSLFVICLDVOY-MJBXVCDLSA-N 0 3 296.411 2.215 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000829768239 636925727 /nfs/dbraw/zinc/92/57/27/636925727.db2.gz AJQQXLYJGCMTBQ-OWCLPIDISA-N 0 3 276.424 2.226 20 30 CEEDHN C[C@H](C#N)OCCN(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000830897551 637195064 /nfs/dbraw/zinc/19/50/64/637195064.db2.gz OOTAFWCORTXDTJ-RISCZKNCSA-N 0 3 282.771 2.234 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1cccc(OC)c1 ZINC000876552001 650322019 /nfs/dbraw/zinc/32/20/19/650322019.db2.gz GJQOXWMPZYMIPV-CYBMUJFWSA-N 0 3 282.771 2.124 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc(C)c(C)s1 ZINC000876558498 650326338 /nfs/dbraw/zinc/32/63/38/650326338.db2.gz NNKTXKCUOWUCLV-QMMMGPOBSA-N 0 3 259.762 2.168 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCOc1ccccc1C ZINC000876569161 650334504 /nfs/dbraw/zinc/33/45/04/650334504.db2.gz PWLLSJIKAMGLBN-ZDUSSCGKSA-N 0 3 296.798 2.302 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000876588088 650347080 /nfs/dbraw/zinc/34/70/80/650347080.db2.gz SZPGBWNIJSXTQS-NSHDSACASA-N 0 3 286.709 2.324 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1CC(C)C ZINC000876591782 650349407 /nfs/dbraw/zinc/34/94/07/650349407.db2.gz OZXHRENDKNDARZ-NWDGAFQWSA-N 0 3 258.793 2.493 20 30 CEEDHN N#Cc1cnc(Cl)c(CN2CCN(CC3CC3)CC2)c1 ZINC000876610979 650358418 /nfs/dbraw/zinc/35/84/18/650358418.db2.gz NTPGEWMRHDJAAC-UHFFFAOYSA-N 0 3 290.798 2.134 20 30 CEEDHN CC(C)(CC#N)CNC(=O)C(C)(C)N1CCCCC1 ZINC000909880721 637769787 /nfs/dbraw/zinc/76/97/87/637769787.db2.gz SBDZXXQBWCXNDP-UHFFFAOYSA-N 0 3 265.401 2.307 20 30 CEEDHN CC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000835340368 638201095 /nfs/dbraw/zinc/20/10/95/638201095.db2.gz MYPRDMHQJWUQLS-RBSFLKMASA-N 0 3 284.359 2.400 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)CCSCC ZINC000876698288 650404863 /nfs/dbraw/zinc/40/48/63/650404863.db2.gz HGUDLJGJXXHISK-GHMZBOCLSA-N 0 3 278.849 2.446 20 30 CEEDHN CCN1CCN(Cc2cc(C#N)ccc2N(C)C)C[C@H]1C ZINC000876716066 650408886 /nfs/dbraw/zinc/40/88/86/650408886.db2.gz WEVZEHHZSNOJTH-CQSZACIVSA-N 0 3 286.423 2.150 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1n[nH]c2ccccc21 ZINC000911962545 638500589 /nfs/dbraw/zinc/50/05/89/638500589.db2.gz BYIPGUHEDPJQCO-NSHDSACASA-N 0 3 258.325 2.185 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000912029201 638517703 /nfs/dbraw/zinc/51/77/03/638517703.db2.gz JWZOSLBGINVVQH-LBPRGKRZSA-N 0 3 258.325 2.185 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)C[C@@H](C)CC ZINC000836329922 638602420 /nfs/dbraw/zinc/60/24/20/638602420.db2.gz XKCGPRMLVXKHRO-UONOGXRCSA-N 0 3 267.417 2.065 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000912244478 638623120 /nfs/dbraw/zinc/62/31/20/638623120.db2.gz PGIPOWCJJTXHFQ-VIFPVBQESA-N 0 3 282.413 2.458 20 30 CEEDHN C=CCC[C@H]1CCCN1C(=O)NC[C@H]1CCCN1C ZINC000912295151 638634826 /nfs/dbraw/zinc/63/48/26/638634826.db2.gz UHSSOPWIVYPSQG-UONOGXRCSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000912276816 638638519 /nfs/dbraw/zinc/63/85/19/638638519.db2.gz PGLQWJFOKKKCFJ-HNNXBMFYSA-N 0 3 284.363 2.494 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000836490397 638649838 /nfs/dbraw/zinc/64/98/38/638649838.db2.gz YVQBVTPZNZAMTH-CABCVRRESA-N 0 3 279.428 2.210 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1ccccc1COC ZINC000912351292 638656404 /nfs/dbraw/zinc/65/64/04/638656404.db2.gz OKPCXAMMSBGTEG-HNNXBMFYSA-N 0 3 276.380 2.133 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1CCC(C)CC1 ZINC000876850636 650458208 /nfs/dbraw/zinc/45/82/08/650458208.db2.gz YCVPGZCITFGPDT-QEWOUOOISA-N 0 3 258.793 2.399 20 30 CEEDHN C=C(CN(C)C)C(=O)N(Cc1ccccc1)OCC ZINC000837201962 639118885 /nfs/dbraw/zinc/11/88/85/639118885.db2.gz AHXWEAUWDZMRJG-UHFFFAOYSA-N 0 3 262.353 2.085 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(C)Cc2ccccc2C1 ZINC000876888659 650475504 /nfs/dbraw/zinc/47/55/04/650475504.db2.gz UKGBPSJDDWWGGY-AWEZNQCLSA-N 0 3 292.810 2.378 20 30 CEEDHN C[C@@H](CNC(=O)C1(C#N)CCCCC1)N1CCCCC1 ZINC000044386021 639193250 /nfs/dbraw/zinc/19/32/50/639193250.db2.gz DDBIIGZIXVZKGU-AWEZNQCLSA-N 0 3 277.412 2.451 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000876932475 650491613 /nfs/dbraw/zinc/49/16/13/650491613.db2.gz NFCHIKVNMCIUKE-OBJOEFQTSA-N 0 3 282.746 2.210 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000876932477 650491626 /nfs/dbraw/zinc/49/16/26/650491626.db2.gz NFCHIKVNMCIUKE-SCRDCRAPSA-N 0 3 282.746 2.210 20 30 CEEDHN N#Cc1cccc(CNCCSC(F)(F)F)n1 ZINC000876939473 650496165 /nfs/dbraw/zinc/49/61/65/650496165.db2.gz ZJAUJRRCTZSBIW-UHFFFAOYSA-N 0 3 261.272 2.296 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)Cc3ccc(C)cc3)CCC[C@@H]12 ZINC000991686712 639560598 /nfs/dbraw/zinc/56/05/98/639560598.db2.gz YGDULUBBJAKXBT-IEBWSBKVSA-N 0 3 296.414 2.284 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000876963807 650509275 /nfs/dbraw/zinc/50/92/75/650509275.db2.gz YNSVZWHMFQFSHH-ZLKJLUDKSA-N 0 3 278.783 2.301 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000876962589 650509409 /nfs/dbraw/zinc/50/94/09/650509409.db2.gz TUBWDOCNQRZYET-ZDUSSCGKSA-N 0 3 291.782 2.379 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000876974489 650513663 /nfs/dbraw/zinc/51/36/63/650513663.db2.gz JAMBHHIMESANBQ-OLZOCXBDSA-N 0 3 270.804 2.495 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC000876982917 650517892 /nfs/dbraw/zinc/51/78/92/650517892.db2.gz JJWYDLMKFWRTCB-OLZOCXBDSA-N 0 3 293.798 2.461 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@H](c2ccccc2)CC1 ZINC000171091814 639699928 /nfs/dbraw/zinc/69/99/28/639699928.db2.gz HXOOCLIDWRMTHV-WBVHZDCISA-N 0 3 284.403 2.394 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC(C)(C)[C@H]1c1cccnc1 ZINC000876983807 650518875 /nfs/dbraw/zinc/51/88/75/650518875.db2.gz XGQJUSBNQGPFGT-QWHCGFSZSA-N 0 3 293.798 2.461 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000876990346 650521504 /nfs/dbraw/zinc/52/15/04/650521504.db2.gz ZKELKZHLJBCKLL-WYUUTHIRSA-N 0 3 256.777 2.009 20 30 CEEDHN CCN(CCO)N=C1CCCC[C@@H]1N1CCCCC1 ZINC000842538855 639987547 /nfs/dbraw/zinc/98/75/47/639987547.db2.gz OECNQFDMJCDMDC-HNNXBMFYSA-N 0 3 267.417 2.085 20 30 CEEDHN CCN(CC)c1ccc(C=NN(C)[C@@H](C)CO)cc1 ZINC000842544924 639996025 /nfs/dbraw/zinc/99/60/25/639996025.db2.gz LXTVCSDYLOJDHY-ZDUSSCGKSA-N 0 3 263.385 2.179 20 30 CEEDHN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C[C@H](O)CC#N ZINC000929676401 640016712 /nfs/dbraw/zinc/01/67/12/640016712.db2.gz PALYOZDEOWVNRD-NJZAAPMLSA-N 0 3 262.328 2.278 20 30 CEEDHN C[C@@](O)(CNCc1cccc(C#N)n1)c1ccsc1 ZINC000877050519 650548412 /nfs/dbraw/zinc/54/84/12/650548412.db2.gz BMLDDJQWERDHCU-CQSZACIVSA-N 0 3 273.361 2.012 20 30 CEEDHN CC[C@H](O)CCCNCc1cc(C#N)cnc1Cl ZINC000877054771 650550870 /nfs/dbraw/zinc/55/08/70/650550870.db2.gz LDMBGBMQLVFSNK-LBPRGKRZSA-N 0 3 267.760 2.247 20 30 CEEDHN C[C@H](CO)N(C)N=C/C=C/c1ccc(N(C)C)cc1 ZINC000842538036 640093807 /nfs/dbraw/zinc/09/38/07/640093807.db2.gz HSRMTACEGVHNGN-WFZOZMPMSA-N 0 3 261.369 2.064 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C2(F)CC2)c1 ZINC000842686821 640149952 /nfs/dbraw/zinc/14/99/52/640149952.db2.gz RLLWUUFANOCGEX-NSHDSACASA-N 0 3 260.268 2.145 20 30 CEEDHN C[C@H](NCc1cc(C#N)cnc1Cl)[C@@H]1CCOC1 ZINC000877065042 650556398 /nfs/dbraw/zinc/55/63/98/650556398.db2.gz WFYTZWQDASJVGP-GXSJLCMTSA-N 0 3 265.744 2.121 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccncc2)[C@@H]1C ZINC000992952258 640380787 /nfs/dbraw/zinc/38/07/87/640380787.db2.gz OSDGEYPJEDCHGW-DZGCQCFKSA-N 0 3 273.380 2.240 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)C(C)(F)F)[C@@H]1C ZINC000992985637 640393906 /nfs/dbraw/zinc/39/39/06/640393906.db2.gz XKYBHXGGSBNSMG-QWRGUYRKSA-N 0 3 260.328 2.187 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2)[C@@H]1C ZINC000992983405 640394219 /nfs/dbraw/zinc/39/42/19/640394219.db2.gz PIEHEANOBVNORJ-GOEBONIOSA-N 0 3 270.376 2.293 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccnc(F)c2)[C@@H]1C ZINC000993126745 640466167 /nfs/dbraw/zinc/46/61/67/640466167.db2.gz KXNPZLWHTPKIHD-JSGCOSHPSA-N 0 3 291.370 2.380 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@@H]1C ZINC000993129937 640468493 /nfs/dbraw/zinc/46/84/93/640468493.db2.gz YCELYUSECJOEHP-UONOGXRCSA-N 0 3 290.411 2.185 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccn(C)c2)[C@@H]1C ZINC000993195370 640539431 /nfs/dbraw/zinc/53/94/31/640539431.db2.gz FVNKHOMKCAQHAQ-ZFWWWQNUSA-N 0 3 275.396 2.184 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OC)cc1F ZINC000877139583 650591735 /nfs/dbraw/zinc/59/17/35/650591735.db2.gz SJCGBHRVZQJHPK-SNVBAGLBSA-N 0 3 272.707 2.243 20 30 CEEDHN C=C[C@H](C)ONC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000844284913 640658759 /nfs/dbraw/zinc/65/87/59/640658759.db2.gz YVZHKXBHAODXMJ-JSGCOSHPSA-N 0 3 277.368 2.095 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H]1C ZINC000993702498 640671065 /nfs/dbraw/zinc/67/10/65/640671065.db2.gz JYDBNUDIZUOWPM-RBGFHDKUSA-N 0 3 274.408 2.025 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2ocnc2CC)[C@@H]1C ZINC000993776919 640679215 /nfs/dbraw/zinc/67/92/15/640679215.db2.gz YBJWEBGEJUCJHC-JSGCOSHPSA-N 0 3 291.395 2.396 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)[nH]c2C)[C@@H]1C ZINC000993901761 640685270 /nfs/dbraw/zinc/68/52/70/640685270.db2.gz KYYDZZWERPKSOO-GOEBONIOSA-N 0 3 287.407 2.238 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cscn2)[C@H]1C ZINC000993931605 640686663 /nfs/dbraw/zinc/68/66/63/640686663.db2.gz GSNMVXXWLSRMFU-TZMCWYRMSA-N 0 3 293.436 2.231 20 30 CEEDHN CCSCCN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369126 640695782 /nfs/dbraw/zinc/69/57/82/640695782.db2.gz IDTVFHQQBAQJHK-CQSZACIVSA-N 0 3 264.394 2.277 20 30 CEEDHN CCCCOCCN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844371408 640696426 /nfs/dbraw/zinc/69/64/26/640696426.db2.gz YMOIIKABUOTIPD-INIZCTEOSA-N 0 3 276.380 2.340 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCN(CC(=C)C)[C@@H]2C)nc1 ZINC000994242405 640716302 /nfs/dbraw/zinc/71/63/02/640716302.db2.gz QHSIYZPFYYQURT-GDBMZVCRSA-N 0 3 297.402 2.222 20 30 CEEDHN C=C[C@H](C)ON=Cc1ccc(N2CCOCC2)cc1 ZINC000844623033 640786684 /nfs/dbraw/zinc/78/66/84/640786684.db2.gz JRBVAXWSPCYZGQ-ZDUSSCGKSA-N 0 3 260.337 2.448 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC000917136743 640855870 /nfs/dbraw/zinc/85/58/70/640855870.db2.gz HJQLGWVVIOYXDV-SQWLQELKSA-N 0 3 291.439 2.372 20 30 CEEDHN N#CC(C(=O)C[C@H]1C=CCC1)C(=O)Nc1ccccn1 ZINC000126399103 650613387 /nfs/dbraw/zinc/61/33/87/650613387.db2.gz BMZCPBBJCOBTDB-NWDGAFQWSA-N 0 3 269.304 2.085 20 30 CEEDHN C=CCS(=O)(=O)CCNCC(C)(C)Oc1ccccc1 ZINC000877196251 650620922 /nfs/dbraw/zinc/62/09/22/650620922.db2.gz VWIPIPCFTQDTQN-UHFFFAOYSA-N 0 3 297.420 2.034 20 30 CEEDHN C=C(C)CONC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000845611032 641016717 /nfs/dbraw/zinc/01/67/17/641016717.db2.gz NJSNSRGBUSMVGF-DZGCQCFKSA-N 0 3 291.395 2.485 20 30 CEEDHN C=C[C@H](C)ONC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000845618192 641020806 /nfs/dbraw/zinc/02/08/06/641020806.db2.gz VMPPTUYNGKOAAX-KCQAQPDRSA-N 0 3 291.395 2.483 20 30 CEEDHN C#CCOCCC(=O)Nc1cc(CN(C)C)ccc1C ZINC000155107509 641085897 /nfs/dbraw/zinc/08/58/97/641085897.db2.gz YGYCJHYYUDPVFM-UHFFFAOYSA-N 0 3 274.364 2.035 20 30 CEEDHN C#CCN(C(=O)N[C@H]1CCC[C@H]1CC)C1CCN(C)CC1 ZINC000921425507 641275021 /nfs/dbraw/zinc/27/50/21/641275021.db2.gz GRVUZCLLLTULLI-ZBFHGGJFSA-N 0 3 291.439 2.304 20 30 CEEDHN C=C1CCN(C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846802926 641429056 /nfs/dbraw/zinc/42/90/56/641429056.db2.gz KXWYDZZVESWYCW-MRXNPFEDSA-N 0 3 296.411 2.010 20 30 CEEDHN C#C[C@@H](NC(=O)N1CCN(C(C)(C)CC)CC1)C(C)C ZINC000847373136 641648107 /nfs/dbraw/zinc/64/81/07/641648107.db2.gz FVHUQOUYGLRLMT-CQSZACIVSA-N 0 3 279.428 2.160 20 30 CEEDHN C#CCOCCC(=O)Nc1cnccc1NC(CC)CC ZINC000848108355 641894248 /nfs/dbraw/zinc/89/42/48/641894248.db2.gz INOZFLDOSOPEOV-UHFFFAOYSA-N 0 3 289.379 2.082 20 30 CEEDHN C#C[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000848276775 641944920 /nfs/dbraw/zinc/94/49/20/641944920.db2.gz INFUVWZZHXFDOP-BBRMVZONSA-N 0 3 280.387 2.071 20 30 CEEDHN O=C(C#Cc1cccs1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000848352905 641967732 /nfs/dbraw/zinc/96/77/32/641967732.db2.gz VUVJUMJSJWTFCA-GJZGRUSLSA-N 0 3 288.416 2.233 20 30 CEEDHN CCOc1ccc(N(C)C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000848401925 641978939 /nfs/dbraw/zinc/97/89/39/641978939.db2.gz NWXQNSRDNZHDHO-HNNXBMFYSA-N 0 3 289.379 2.459 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1CN(C3CC3)C(=O)O1)CC2 ZINC000848574627 642061238 /nfs/dbraw/zinc/06/12/38/642061238.db2.gz ULIFPDPZUGIOFZ-ZBFHGGJFSA-N 0 3 297.358 2.118 20 30 CEEDHN C#C[C@H]1CCCN(Cc2ccc(N(C)CCOC)nc2)C1 ZINC000848923209 642195586 /nfs/dbraw/zinc/19/55/86/642195586.db2.gz BJIOQQATCOEWCC-HNNXBMFYSA-N 0 3 287.407 2.009 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(C)[nH]c2C)CC1 ZINC000997322211 642237597 /nfs/dbraw/zinc/23/75/97/642237597.db2.gz XJFUMJMPFSYSJX-CYBMUJFWSA-N 0 3 287.407 2.095 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC000997717933 642318834 /nfs/dbraw/zinc/31/88/34/642318834.db2.gz SENRARPAQUQZHD-ZFWWWQNUSA-N 0 3 276.424 2.273 20 30 CEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2ccccn2)CC1 ZINC000997909321 642337645 /nfs/dbraw/zinc/33/76/45/642337645.db2.gz PDCAZHVTCAOWGT-INIZCTEOSA-N 0 3 299.418 2.422 20 30 CEEDHN C=CCN1CCC[C@@H](N(CC)C(=O)c2cc(C)on2)CC1 ZINC000997911336 642338302 /nfs/dbraw/zinc/33/83/02/642338302.db2.gz CIQWMSBBZDDIOX-CQSZACIVSA-N 0 3 291.395 2.486 20 30 CEEDHN C=C(C)CN[C@H]1CN(C(=O)C2CC2)CC[C@@H]1C(F)(F)F ZINC000998214157 642374953 /nfs/dbraw/zinc/37/49/53/642374953.db2.gz DCFBAWFUBQAIOY-RYUDHWBXSA-N 0 3 290.329 2.342 20 30 CEEDHN N#Cc1cnc(Cl)c(CNCCCOC(F)F)c1 ZINC000877503375 650754400 /nfs/dbraw/zinc/75/44/00/650754400.db2.gz KIEDANADNGGNHO-UHFFFAOYSA-N 0 3 275.686 2.326 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CC23CC3)C1 ZINC000999455440 642489330 /nfs/dbraw/zinc/48/93/30/642489330.db2.gz FBYXGTMITCUJEG-MCIGGMRASA-N 0 3 268.788 2.118 20 30 CEEDHN C#CCCCCCCN1CCO[C@@]2(CCCOC2)C1 ZINC000877512779 650758600 /nfs/dbraw/zinc/75/86/00/650758600.db2.gz BGCGAXJGYQUZTF-INIZCTEOSA-N 0 3 265.397 2.452 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)c1ccccc1F ZINC000109038859 642534948 /nfs/dbraw/zinc/53/49/48/642534948.db2.gz BVNSMDQYENUEMZ-ZYHUDNBSSA-N 0 3 276.311 2.163 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)c3[nH]c(C)cc3C)CC2)CC1 ZINC001000189176 642546229 /nfs/dbraw/zinc/54/62/29/642546229.db2.gz GAJGGIHXEZVKKO-UHFFFAOYSA-N 0 3 299.418 2.239 20 30 CEEDHN CN(CCNCc1csc(C#N)c1)CC(F)(F)F ZINC000921729730 642563948 /nfs/dbraw/zinc/56/39/48/642563948.db2.gz QUJQOMKKLPQSIA-UHFFFAOYSA-N 0 3 277.315 2.203 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000921817317 642678882 /nfs/dbraw/zinc/67/88/82/642678882.db2.gz SFQFDZBXNWVAGB-YNEHKIRRSA-N 0 3 253.390 2.123 20 30 CEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001001068404 642683688 /nfs/dbraw/zinc/68/36/88/642683688.db2.gz YXJIIIDRSLKWRN-AWEZNQCLSA-N 0 3 262.397 2.357 20 30 CEEDHN C=CCN1CC=C(CNC(=O)[C@H]2Cc3ccccc32)CC1 ZINC001001104667 642686184 /nfs/dbraw/zinc/68/61/84/642686184.db2.gz HJNOIYNOBRNWOZ-KRWDZBQOSA-N 0 3 282.387 2.261 20 30 CEEDHN N#Cc1cnc(Cl)c(CN[C@H](CO)C2CCCC2)c1 ZINC000877543112 650777949 /nfs/dbraw/zinc/77/79/49/650777949.db2.gz XUDJGZJUIKGYPV-CYBMUJFWSA-N 0 3 279.771 2.247 20 30 CEEDHN C[C@H](CSCCF)NCc1ccc(C#N)cn1 ZINC000850463727 642719712 /nfs/dbraw/zinc/71/97/12/642719712.db2.gz XEEPYCWXDIVONB-SNVBAGLBSA-N 0 3 253.346 2.134 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2sc(C)nc2C)CC1 ZINC001001431820 642721433 /nfs/dbraw/zinc/72/14/33/642721433.db2.gz DAYYOFJXHYESSI-UHFFFAOYSA-N 0 3 291.420 2.308 20 30 CEEDHN C#CCN1CCC(CNC(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001001777169 642735548 /nfs/dbraw/zinc/73/55/48/642735548.db2.gz KQNDJTYIOHFDPA-ZBFHGGJFSA-N 0 3 276.424 2.274 20 30 CEEDHN C#CCN1CCC(CNC(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001001776204 642735569 /nfs/dbraw/zinc/73/55/69/642735569.db2.gz FQJYHAIOOPDLHY-GOEBONIOSA-N 0 3 276.424 2.274 20 30 CEEDHN CC#CCN1CCC(CNC(=O)C2CCC(F)CC2)CC1 ZINC001001797942 642737906 /nfs/dbraw/zinc/73/79/06/642737906.db2.gz PDYAGZSXVRRQBM-UHFFFAOYSA-N 0 3 294.414 2.366 20 30 CEEDHN CC#CCN1CCC(CNC(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001001905180 642744464 /nfs/dbraw/zinc/74/44/64/642744464.db2.gz QCVORUCPQMDAHJ-ZBFHGGJFSA-N 0 3 276.424 2.274 20 30 CEEDHN CC#CCN1CCC(CNC(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001001994602 642750003 /nfs/dbraw/zinc/75/00/03/642750003.db2.gz NKJDCDAIJWQDDI-CVEARBPZSA-N 0 3 276.424 2.130 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)C1CC2(C1)CCCCC2 ZINC000850758570 642775826 /nfs/dbraw/zinc/77/58/26/642775826.db2.gz BFKBEYJUJHWGJM-ZDUSSCGKSA-N 0 3 274.364 2.358 20 30 CEEDHN C[C@H](Cc1ccco1)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000850781989 642784593 /nfs/dbraw/zinc/78/45/93/642784593.db2.gz HYAIYEVHGQBAEM-YPMHNXCESA-N 0 3 297.314 2.201 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001016314242 642796768 /nfs/dbraw/zinc/79/67/68/642796768.db2.gz QFLYOWUSHVZZPK-ISXOHVOVSA-N 0 3 274.408 2.171 20 30 CEEDHN COC(=O)C1(C#N)CCN(CC2(C(C)C)CC2)CC1 ZINC000877566557 650792641 /nfs/dbraw/zinc/79/26/41/650792641.db2.gz KAYZIBPZRKFJDB-UHFFFAOYSA-N 0 3 264.369 2.201 20 30 CEEDHN C=CCCCCCCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851660248 643109797 /nfs/dbraw/zinc/10/97/97/643109797.db2.gz IEUUHWXBZJOCQS-CHWSQXEVSA-N 0 3 271.380 2.204 20 30 CEEDHN CCCCCCCCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851658732 643110348 /nfs/dbraw/zinc/11/03/48/643110348.db2.gz JACINRMCXQICNC-CHWSQXEVSA-N 0 3 273.396 2.428 20 30 CEEDHN C#CCOCCN(CCCO)Cc1cccc(Cl)c1 ZINC000851857755 643194201 /nfs/dbraw/zinc/19/42/01/643194201.db2.gz YNQFYNCVKQPDHS-UHFFFAOYSA-N 0 3 281.783 2.174 20 30 CEEDHN C=CCCn1cc(CN[C@H]2CCS[C@H](C)C2)nn1 ZINC000922839929 643291973 /nfs/dbraw/zinc/29/19/73/643291973.db2.gz VHWQTJOCNLYKHL-NEPJUHHUSA-N 0 3 266.414 2.228 20 30 CEEDHN C#CCN(C(=O)N[C@@H]1C[C@@]1(C)C(C)C)C1CCN(C)CC1 ZINC000922850437 643295909 /nfs/dbraw/zinc/29/59/09/643295909.db2.gz OYUNXNDXTCHRNK-WBVHZDCISA-N 0 3 291.439 2.160 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)N(C)C1CCC(C)CC1 ZINC000852097795 643300316 /nfs/dbraw/zinc/30/03/16/643300316.db2.gz WBUCDLARGLPJKK-ZBCRRDGASA-N 0 3 264.413 2.415 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000852100188 643304174 /nfs/dbraw/zinc/30/41/74/643304174.db2.gz UXHRDHFOMJYWNK-BLLLJJGKSA-N 0 3 276.355 2.394 20 30 CEEDHN C#C[C@@](C)(CC)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852102580 643307461 /nfs/dbraw/zinc/30/74/61/643307461.db2.gz ZKHUGJNBWFAIQN-KGLIPLIRSA-N 0 3 262.309 2.020 20 30 CEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cnn(CC)c2)CC1 ZINC001005190655 643393806 /nfs/dbraw/zinc/39/38/06/643393806.db2.gz KSBCVSVTRORROE-UHFFFAOYSA-N 0 3 290.411 2.016 20 30 CEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cncc(F)c2)CC1 ZINC001005240171 643396631 /nfs/dbraw/zinc/39/66/31/643396631.db2.gz MIMAUTVQJIEZBG-UHFFFAOYSA-N 0 3 291.370 2.333 20 30 CEEDHN C=CCN(C[C@@H](O)c1ccc(F)cc1)[C@H](C)COC ZINC000852357975 643406590 /nfs/dbraw/zinc/40/65/90/643406590.db2.gz KIOVCHWJVPOXDJ-IUODEOHRSA-N 0 3 267.344 2.382 20 30 CEEDHN C=CCN(C[C@@H](O)c1cccc(F)c1)[C@@H](C)COC ZINC000852357880 643407325 /nfs/dbraw/zinc/40/73/25/643407325.db2.gz JOZNJQPJGGCTMF-SWLSCSKDSA-N 0 3 267.344 2.382 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cccc(CC)n2)CC1 ZINC001005506925 643412540 /nfs/dbraw/zinc/41/25/40/643412540.db2.gz FPGZNENBEXVVFC-UHFFFAOYSA-N 0 3 287.407 2.366 20 30 CEEDHN N#CC(C(=O)C=Cc1ccc[nH]1)c1nnc2n1CCCCC2 ZINC000788081816 643429313 /nfs/dbraw/zinc/42/93/13/643429313.db2.gz UPHPDHREDWPABI-WSROAFLRSA-N 0 3 295.346 2.222 20 30 CEEDHN N#CC(C(=O)C=Cc1ccc[nH]1)c1nnc2n1CCCCC2 ZINC000788081813 643429453 /nfs/dbraw/zinc/42/94/53/643429453.db2.gz UPHPDHREDWPABI-GWJCSSMESA-N 0 3 295.346 2.222 20 30 CEEDHN C=CCOc1ccccc1CNCCO[C@@H]1CCOC1 ZINC000922941610 643466182 /nfs/dbraw/zinc/46/61/82/643466182.db2.gz LOIWGVPIJOUUFG-OAHLLOKOSA-N 0 3 277.364 2.147 20 30 CEEDHN Cc1cc(C[C@@H]2CCC[C@H]2NCC2(C#N)CC2)n(C)n1 ZINC000852658510 643502342 /nfs/dbraw/zinc/50/23/42/643502342.db2.gz YSMWQJHKCQDGNO-DZGCQCFKSA-N 0 3 272.396 2.333 20 30 CEEDHN N#Cc1ccc(CN[C@H]2C[C@@](CO)(c3ccccc3)C2)o1 ZINC000923010158 643510569 /nfs/dbraw/zinc/51/05/69/643510569.db2.gz KHCOYECPDXTJIR-KDYLLFBJSA-N 0 3 282.343 2.334 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)C2CCC(OC)CC2)CC1 ZINC001005903673 643543414 /nfs/dbraw/zinc/54/34/14/643543414.db2.gz YGUXRGMTYOVUAT-UHFFFAOYSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(Cl)CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000852807842 643560921 /nfs/dbraw/zinc/56/09/21/643560921.db2.gz ADMARZUGFSYTHE-LBPRGKRZSA-N 0 3 250.729 2.090 20 30 CEEDHN C#CCCCCCC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000923274357 643633598 /nfs/dbraw/zinc/63/35/98/643633598.db2.gz KNXZVDAXROAHOM-LSDHHAIUSA-N 0 3 262.397 2.265 20 30 CEEDHN Cc1ccc(CN(C)CCc2cccc(C#N)c2)nn1 ZINC000877703860 650860968 /nfs/dbraw/zinc/86/09/68/650860968.db2.gz AJIAFFNSZVJPHF-UHFFFAOYSA-N 0 3 266.348 2.331 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cc(CCC)on2)CC1 ZINC001006231857 643794332 /nfs/dbraw/zinc/79/43/32/643794332.db2.gz DNQPKLALHNQVNZ-UHFFFAOYSA-N 0 3 291.395 2.350 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000838622733 643980664 /nfs/dbraw/zinc/98/06/64/643980664.db2.gz KHQITDAEOSMIJL-HUUCEWRRSA-N 0 3 279.428 2.162 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(F)c(F)c1F ZINC000838624366 643981104 /nfs/dbraw/zinc/98/11/04/643981104.db2.gz UFZQWIKGPOLBKH-UHFFFAOYSA-N 0 3 299.296 2.181 20 30 CEEDHN C=CCONC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000838710291 643999729 /nfs/dbraw/zinc/99/97/29/643999729.db2.gz FQMXKPSJVNMISN-ZDUSSCGKSA-N 0 3 297.786 2.360 20 30 CEEDHN C#CCN(CCC(=O)N1CCCC1)Cc1ccccc1 ZINC000839011147 644124180 /nfs/dbraw/zinc/12/41/80/644124180.db2.gz FRMILIWFWVESPC-UHFFFAOYSA-N 0 3 270.376 2.134 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN1C[C@@H](O)CC(C)(C)C1 ZINC000877752577 650896105 /nfs/dbraw/zinc/89/61/05/650896105.db2.gz UIXLNAJVFYSFCF-HNNXBMFYSA-N 0 3 287.407 2.217 20 30 CEEDHN N#CCOc1ccc(CN2C[C@@H]3C[C@H]2CS3)cc1 ZINC000839201270 644192756 /nfs/dbraw/zinc/19/27/56/644192756.db2.gz IHTSNBIXZRWXDA-JSGCOSHPSA-N 0 3 260.362 2.279 20 30 CEEDHN CC[C@H](C[C@@H](C)O)NCc1cc(C#N)cnc1Cl ZINC000877779149 650907604 /nfs/dbraw/zinc/90/76/04/650907604.db2.gz ZNEAMWFPMYZRAL-BXKDBHETSA-N 0 3 267.760 2.246 20 30 CEEDHN CC(C)N1CC(N=Nc2ccc(Cl)nn2)[C@@H](C)C1 ZINC000754253254 644346651 /nfs/dbraw/zinc/34/66/51/644346651.db2.gz CFDJTIUPXZEXIA-VIFPVBQESA-N 0 3 267.764 2.258 20 30 CEEDHN CN(C)c1cc(CN2CCC(CC#N)CC2)ccn1 ZINC000754268815 644350066 /nfs/dbraw/zinc/35/00/66/644350066.db2.gz DQJLWAYNOZQBTB-UHFFFAOYSA-N 0 3 258.369 2.273 20 30 CEEDHN CC(C)C#CC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000855528702 644378965 /nfs/dbraw/zinc/37/89/65/644378965.db2.gz FEZGHCMLTCQOMN-UHFFFAOYSA-N 0 3 299.418 2.069 20 30 CEEDHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N(C)CCC#N)s1 ZINC000754670046 644412741 /nfs/dbraw/zinc/41/27/41/644412741.db2.gz USAZDNFFHWIBTM-RYUDHWBXSA-N 0 3 279.409 2.468 20 30 CEEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ccc(C#N)cc1 ZINC000755893512 644576206 /nfs/dbraw/zinc/57/62/06/644576206.db2.gz VGRFWNDEYLBVND-LLVKDONJSA-N 0 3 254.337 2.440 20 30 CEEDHN C#CC[C@@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000757034471 644721577 /nfs/dbraw/zinc/72/15/77/644721577.db2.gz OVCSWXJXKFHAGO-NVXWUHKLSA-N 0 3 297.402 2.287 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@@H](OCCOC)C2)cc1 ZINC000809662338 644742734 /nfs/dbraw/zinc/74/27/34/644742734.db2.gz GJMSKCUCXRBAID-QGZVFWFLSA-N 0 3 273.376 2.295 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000839546166 644743737 /nfs/dbraw/zinc/74/37/37/644743737.db2.gz XDSIQQAHAPNXBB-IUODEOHRSA-N 0 3 262.328 2.411 20 30 CEEDHN C#C[C@H](NCCOc1ccccc1C)[C@@H]1CCCO1 ZINC000839564585 644744797 /nfs/dbraw/zinc/74/47/97/644744797.db2.gz RQMGJFSPIRURIC-HOCLYGCPSA-N 0 3 259.349 2.144 20 30 CEEDHN CC[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)Nc2ccccc2)O1 ZINC000757306316 644754369 /nfs/dbraw/zinc/75/43/69/644754369.db2.gz QPRVRLKXDMNXQM-MCIONIFRSA-N 0 3 286.331 2.292 20 30 CEEDHN C#CC[C@H](CCOC)NCc1nn(C)c2ccccc12 ZINC000858333665 645121140 /nfs/dbraw/zinc/12/11/40/645121140.db2.gz MWBONYOMXBQXQY-CYBMUJFWSA-N 0 3 271.364 2.091 20 30 CEEDHN C#CC[C@H](CCOC)NCc1ccc(Br)cn1 ZINC000858333939 645122019 /nfs/dbraw/zinc/12/20/19/645122019.db2.gz PWGOCDRZQQZFJD-GFCCVEGCSA-N 0 3 297.196 2.362 20 30 CEEDHN CCN(C)[C@H](C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000760345745 645144094 /nfs/dbraw/zinc/14/40/94/645144094.db2.gz NEHJQHUZFPEFMM-ZBFHGGJFSA-N 0 3 294.358 2.346 20 30 CEEDHN C=C(C)CN(Cc1ccc(CO)o1)c1ccnc(CO)c1 ZINC000858544645 645196320 /nfs/dbraw/zinc/19/63/20/645196320.db2.gz VYHOZJYVWYJBST-UHFFFAOYSA-N 0 3 288.347 2.242 20 30 CEEDHN CC[C@H](CC#N)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000762793614 645451981 /nfs/dbraw/zinc/45/19/81/645451981.db2.gz IKKANCOPGCMDDZ-MRXNPFEDSA-N 0 3 286.423 2.220 20 30 CEEDHN Cc1ccc(CN2CC[C@H](CN3CCOC3=O)C2)cc1C#N ZINC000859319774 645457007 /nfs/dbraw/zinc/45/70/07/645457007.db2.gz SYESWYOFURGHEU-HNNXBMFYSA-N 0 3 299.374 2.141 20 30 CEEDHN N#CCc1cccc2c1CCN(CCC(=O)N1CCCC1)C2 ZINC000860109118 645702978 /nfs/dbraw/zinc/70/29/78/645702978.db2.gz MXUQTXQZJCGMSA-UHFFFAOYSA-N 0 3 297.402 2.123 20 30 CEEDHN N#CC(C(=O)C[C@@H]1COC(=O)C1)c1ccc2ccccc2n1 ZINC000766236672 645860887 /nfs/dbraw/zinc/86/08/87/645860887.db2.gz GDGOQMNBCQJILI-AAEUAGOBSA-N 0 3 294.310 2.364 20 30 CEEDHN C#CCC(C)(C)C(=O)NCCN1CCCC[C@@H]1C ZINC000767049927 645949218 /nfs/dbraw/zinc/94/92/18/645949218.db2.gz DYRUUKCPTQGIDB-ZDUSSCGKSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CCCCCCC(=O)OC[C@@]1(C)C[C@H](OC)CN1C ZINC000861347358 646137823 /nfs/dbraw/zinc/13/78/23/646137823.db2.gz IFWOWXVRHGSIRZ-GOEBONIOSA-N 0 3 281.396 2.223 20 30 CEEDHN C=CCN(Cc1c(C)nn(CCC(=O)OC)c1C)C(C)C ZINC000768547433 646138026 /nfs/dbraw/zinc/13/80/26/646138026.db2.gz MHRDGEAGFXKONB-UHFFFAOYSA-N 0 3 293.411 2.459 20 30 CEEDHN C#CCN(CC)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000769111912 646208441 /nfs/dbraw/zinc/20/84/41/646208441.db2.gz SMEXYZJOJDPTPR-ZDUSSCGKSA-N 0 3 266.385 2.341 20 30 CEEDHN CO[C@H]1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000769452536 646268614 /nfs/dbraw/zinc/26/86/14/646268614.db2.gz WBNKINWERFGNEA-WFASDCNBSA-N 0 3 260.337 2.198 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(C)CCC(F)(F)CC1 ZINC000861837429 646277372 /nfs/dbraw/zinc/27/73/72/646277372.db2.gz DIWFWMWROXJUDE-UHFFFAOYSA-N 0 3 286.366 2.273 20 30 CEEDHN N#Cc1ccc(CNCc2cccc3nccn32)cc1 ZINC000769685362 646300303 /nfs/dbraw/zinc/30/03/03/646300303.db2.gz FKSQUFIHXBUQHB-UHFFFAOYSA-N 0 3 262.316 2.496 20 30 CEEDHN N#CCc1ccc(C(=O)OCCN2CCCCC2)cc1 ZINC000770412740 646389770 /nfs/dbraw/zinc/38/97/70/646389770.db2.gz QWOSBNCSUGPOMC-UHFFFAOYSA-N 0 3 272.348 2.395 20 30 CEEDHN C#CC[C@H]1CCN(Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000862443186 646461978 /nfs/dbraw/zinc/46/19/78/646461978.db2.gz LKJSTEZYPCRWTC-LBPRGKRZSA-N 0 3 273.332 2.269 20 30 CEEDHN C#CC[C@H](COC)NCc1ccc2c(c1)COC(C)(C)O2 ZINC000862548660 646494744 /nfs/dbraw/zinc/49/47/44/646494744.db2.gz KLTZJYQMFIHBNF-OAHLLOKOSA-N 0 3 289.375 2.460 20 30 CEEDHN COCC(COC)NN=C/C=C\c1ccc(N(C)C)cc1 ZINC000863192186 646667937 /nfs/dbraw/zinc/66/79/37/646667937.db2.gz HSICILDZLFQIFG-CFSTZTKKSA-N 0 3 291.395 2.003 20 30 CEEDHN CN(C)C1(C(=O)N(C)CCc2cccc(C#N)c2)CCC1 ZINC000863436158 646724351 /nfs/dbraw/zinc/72/43/51/646724351.db2.gz PALHHCYCMSYBLY-UHFFFAOYSA-N 0 3 285.391 2.043 20 30 CEEDHN C=CCN1CCC(NC(=S)NC(C)(C)CC)CC1 ZINC000774176345 646813779 /nfs/dbraw/zinc/81/37/79/646813779.db2.gz MTSQUWHWGYWKBE-UHFFFAOYSA-N 0 3 269.458 2.290 20 30 CEEDHN C=CC[C@H](CO)CNCc1c(Cl)nc(Cl)n1C ZINC000774827006 646900682 /nfs/dbraw/zinc/90/06/82/646900682.db2.gz LYUBPWVFEZJUDB-QMMMGPOBSA-N 0 3 278.183 2.001 20 30 CEEDHN C#C[C@H](NCc1cc(OCC)ccc1O)[C@@H]1CCCO1 ZINC000775343383 646943546 /nfs/dbraw/zinc/94/35/46/646943546.db2.gz WQYNYMSYXUTEHL-HOCLYGCPSA-N 0 3 275.348 2.061 20 30 CEEDHN C#C[C@H](N[C@@H](COC)Cc1ccccc1)[C@@H]1CCCO1 ZINC000775571883 646967298 /nfs/dbraw/zinc/96/72/98/646967298.db2.gz MAGRPLVIXMLHGU-IKGGRYGDSA-N 0 3 273.376 2.015 20 30 CEEDHN C#C[C@H](NCCOC1CCCCCC1)[C@@H]1CCCO1 ZINC000775793048 646993822 /nfs/dbraw/zinc/99/38/22/646993822.db2.gz JASFSDOEIHTXPL-HOTGVXAUSA-N 0 3 265.397 2.496 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H](OCC)C2CCCC2)CC1 ZINC000865194579 647202554 /nfs/dbraw/zinc/20/25/54/647202554.db2.gz ZJGVEIOXLYLPPX-INIZCTEOSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCC(C)(C)CNCc1cn(C[C@@H]2CCCO2)nn1 ZINC000865579262 647368506 /nfs/dbraw/zinc/36/85/06/647368506.db2.gz WHYHTDBCLNISFZ-AWEZNQCLSA-N 0 3 278.400 2.149 20 30 CEEDHN CN(C)CCSc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865603312 647381332 /nfs/dbraw/zinc/38/13/32/647381332.db2.gz FXMQAQPKMYHPLP-UHFFFAOYSA-N 0 3 269.301 2.259 20 30 CEEDHN N#CCc1ccsc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000865604611 647382503 /nfs/dbraw/zinc/38/25/03/647382503.db2.gz DWMYEQULSCWVCA-CYBMUJFWSA-N 0 3 289.404 2.028 20 30 CEEDHN C#CC[C@H](COC)NCc1ccc(C(F)F)nc1 ZINC000865646738 647404734 /nfs/dbraw/zinc/40/47/34/647404734.db2.gz YORQGWHULYKWMP-LLVKDONJSA-N 0 3 254.280 2.147 20 30 CEEDHN C#CCCCCCC(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000780675174 647458760 /nfs/dbraw/zinc/45/87/60/647458760.db2.gz NPMSPKYXOSNLEU-ZIAGYGMSSA-N 0 3 282.453 2.074 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CC[C@H]3SCCS[C@@H]23)nc1 ZINC000783293377 647707064 /nfs/dbraw/zinc/70/70/64/647707064.db2.gz FZKRRVPZDCTFNG-MCIONIFRSA-N 0 3 291.445 2.422 20 30 CEEDHN C#CCOCC/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000783686270 647748030 /nfs/dbraw/zinc/74/80/30/647748030.db2.gz YOGHNXFIJALENB-GHRIWEEISA-N 0 3 274.364 2.307 20 30 CEEDHN CC(=NNCCC(=O)OC(C)(C)C)c1ccc(N)cc1 ZINC000783865784 647772651 /nfs/dbraw/zinc/77/26/51/647772651.db2.gz IEAOPVOOGKPMAA-UHFFFAOYSA-N 0 3 277.368 2.314 20 30 CEEDHN C#CCN1CCC(C(=O)NC2(C)CCC(F)(F)CC2)CC1 ZINC000784137358 647809537 /nfs/dbraw/zinc/80/95/37/647809537.db2.gz LVYAMIJNSUADOM-UHFFFAOYSA-N 0 3 298.377 2.416 20 30 CEEDHN Cc1cc(N[C@@H]2CCc3cc(C#N)ccc32)nc(N)n1 ZINC000784832373 647885565 /nfs/dbraw/zinc/88/55/65/647885565.db2.gz PEGWRMYTOOOALS-CYBMUJFWSA-N 0 3 265.320 2.338 20 30 CEEDHN CN(C)c1ccc(N2CCC(NCCC#N)CC2)cc1 ZINC000787298488 648096427 /nfs/dbraw/zinc/09/64/27/648096427.db2.gz JXXVVJVUDXTIQK-UHFFFAOYSA-N 0 3 272.396 2.225 20 30 CEEDHN C[C@@H]1CN(C(=O)c2coc(C#N)c2)CCN(C2CCC2)C1 ZINC000868529520 648159318 /nfs/dbraw/zinc/15/93/18/648159318.db2.gz QTYHUOHOEIIPTQ-LBPRGKRZSA-N 0 3 287.363 2.098 20 30 CEEDHN C#CCOc1ccc(CNCc2ccncc2)cc1 ZINC000788435331 648183528 /nfs/dbraw/zinc/18/35/28/648183528.db2.gz ZFHYWIGSMGVBNL-UHFFFAOYSA-N 0 3 252.317 2.383 20 30 CEEDHN C1C[C@@H](NN=C2CCCC[C@H]2N2CCCCC2)CO1 ZINC000788440389 648184926 /nfs/dbraw/zinc/18/49/26/648184926.db2.gz SPDIWJWFUJJUTD-UKRRQHHQSA-N 0 3 265.401 2.149 20 30 CEEDHN C#CCSCCNCc1ccc(-c2cc[nH]n2)o1 ZINC000788521381 648198832 /nfs/dbraw/zinc/19/88/32/648198832.db2.gz PWZWPMVPJDPXBG-UHFFFAOYSA-N 0 3 261.350 2.126 20 30 CEEDHN C=CCCN(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789525052 648312518 /nfs/dbraw/zinc/31/25/18/648312518.db2.gz FNWZVTFJWXYXJH-HNNXBMFYSA-N 0 3 258.365 2.295 20 30 CEEDHN Cc1cccc(Cl)c1CC(=O)C(C#N)C(=O)NC1CC1 ZINC000790767147 648445691 /nfs/dbraw/zinc/44/56/91/648445691.db2.gz IKGREEYJBUEVMD-LBPRGKRZSA-N 0 3 290.750 2.178 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)CN(C)CCCCCC ZINC000791742822 648561998 /nfs/dbraw/zinc/56/19/98/648561998.db2.gz LUNPNFGPEVCGMZ-AWEZNQCLSA-N 0 3 252.402 2.417 20 30 CEEDHN C#CCN1CCC(C(=O)NCCC(C)(C)CC)CC1 ZINC000870290756 648760288 /nfs/dbraw/zinc/76/02/88/648760288.db2.gz IOBOBRKHPXREMH-UHFFFAOYSA-N 0 3 264.413 2.274 20 30 CEEDHN C=CCC1(C(=O)N2CCN(C)C(C)(C)CC2)CCOCC1 ZINC000871157797 649019197 /nfs/dbraw/zinc/01/91/97/649019197.db2.gz WFJQJYVGGVMGRW-UHFFFAOYSA-N 0 3 294.439 2.302 20 30 CEEDHN CO[C@]1(C)CCCN(Cc2cncc(C#N)c2)CC1 ZINC000930288627 649073651 /nfs/dbraw/zinc/07/36/51/649073651.db2.gz JAZGYFMQGFBRKY-OAHLLOKOSA-N 0 3 259.353 2.344 20 30 CEEDHN Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cc1C#N ZINC000874831025 649845375 /nfs/dbraw/zinc/84/53/75/649845375.db2.gz XBXDITOZPNZVKF-CVEARBPZSA-N 0 3 283.375 2.175 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@@H](O)CC1(O)CCCC1 ZINC000878386651 651082964 /nfs/dbraw/zinc/08/29/64/651082964.db2.gz VGTCPUPZHQOGRQ-HNNXBMFYSA-N 0 3 293.407 2.366 20 30 CEEDHN COC(=O)[C@]1(c2ccccc2)CCN(CC2(CC#N)CC2)C1 ZINC000878642298 651149130 /nfs/dbraw/zinc/14/91/30/651149130.db2.gz ZIFWGTXPBIFXIT-GOSISDBHSA-N 0 3 298.386 2.497 20 30 CEEDHN C#CCCN1CCN(Cc2cc(C)ccc2C)CC1 ZINC000127332041 651185140 /nfs/dbraw/zinc/18/51/40/651185140.db2.gz WBWBGWKIPWFVAR-UHFFFAOYSA-N 0 3 256.393 2.444 20 30 CEEDHN C=CC[C@H](C)N1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000879019768 651229226 /nfs/dbraw/zinc/22/92/26/651229226.db2.gz GTVVNHDTZBRDLV-LBPRGKRZSA-N 0 3 291.370 2.011 20 30 CEEDHN N#CC1(CCN2CCC([C@@H](F)C(N)=O)CC2)CCCCC1 ZINC000879040647 651233421 /nfs/dbraw/zinc/23/34/21/651233421.db2.gz DQSKSKIQKGPBNA-CQSZACIVSA-N 0 3 295.402 2.386 20 30 CEEDHN CN(CCc1cccc(C#N)c1)Cc1cccnc1N ZINC000879433488 651302992 /nfs/dbraw/zinc/30/29/92/651302992.db2.gz ULFVSYBQVCGSIC-UHFFFAOYSA-N 0 3 266.348 2.210 20 30 CEEDHN N#Cc1ccc(CN(CC2CC2)[C@@H](C(N)=O)C2CC2)cc1 ZINC000879486016 651310071 /nfs/dbraw/zinc/31/00/71/651310071.db2.gz JCGNOCSRUZMVAB-MRXNPFEDSA-N 0 3 283.375 2.034 20 30 CEEDHN COc1ccc([C@H]2CN(CC3(CC#N)CC3)CCN2)cc1 ZINC000879523823 651316128 /nfs/dbraw/zinc/31/61/28/651316128.db2.gz PAIULNXUUGZNSB-MRXNPFEDSA-N 0 3 285.391 2.335 20 30 CEEDHN CC[C@H](CN1CCN(c2ccc(C#N)cc2)CC1)OC 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N#Cc1ccc(N2CCN(C3CCCC3)CC2)nc1 ZINC000055387570 721851873 /nfs/dbraw/zinc/85/18/73/721851873.db2.gz JINFHHZSYHKBDH-UHFFFAOYSA-N 0 3 256.353 2.018 20 30 CEEDHN CC#CCCCC(=O)NC[C@]1(C)CCCN(CC#CC)C1 ZINC001270983970 805705846 /nfs/dbraw/zinc/70/58/46/805705846.db2.gz VUYSRCYPMGMCAX-SFHVURJKSA-N 0 3 288.435 2.422 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CC2(C)C)[C@H]1CC ZINC001087544429 805723571 /nfs/dbraw/zinc/72/35/71/805723571.db2.gz JDKFVQOOFLUAHN-FRRDWIJNSA-N 0 3 250.386 2.188 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)C2C=CC=CC=C2)[C@H]1CC ZINC001087588253 805756114 /nfs/dbraw/zinc/75/61/14/805756114.db2.gz JCKRCVFRLCZLLY-DLBZAZTESA-N 0 3 284.403 2.277 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2Cc3ccccc32)[C@H]1CC ZINC001087708947 805777620 /nfs/dbraw/zinc/77/76/20/805777620.db2.gz YCJKIIBYGTZZMP-IXDOHACOSA-N 0 3 284.403 2.481 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2cccnc2)[C@H]1CC ZINC001087800732 805797348 /nfs/dbraw/zinc/79/73/48/805797348.db2.gz GQHCSMURDLIHQG-CWRNSKLLSA-N 0 3 287.407 2.340 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CC=CCC3)C[C@@H]2C1 ZINC001087881336 805836345 /nfs/dbraw/zinc/83/63/45/805836345.db2.gz BAIWFRYRTVPRFO-BBWFWOEESA-N 0 3 286.419 2.146 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(C)C ZINC001029511308 805900822 /nfs/dbraw/zinc/90/08/22/805900822.db2.gz HCYKPOGLUWMSRZ-FZKCQIBNSA-N 0 3 292.423 2.051 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cc(C)[nH]c3C)C[C@@H]2C1 ZINC001088122160 805941303 /nfs/dbraw/zinc/94/13/03/805941303.db2.gz OZMPZKMMJGRALU-CVEARBPZSA-N 0 3 299.418 2.049 20 30 CEEDHN C=CCOCCN(C)CCN(C)C(=O)CC(C)(C)C ZINC001271961874 806162976 /nfs/dbraw/zinc/16/29/76/806162976.db2.gz BDJJKWOPZIMIMB-UHFFFAOYSA-N 0 3 270.417 2.015 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)COCCCC ZINC001272016370 806277287 /nfs/dbraw/zinc/27/72/87/806277287.db2.gz QVQVBQMQFXOSDO-HUUCEWRRSA-N 0 3 280.412 2.054 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc2occc2[nH]1 ZINC001272028489 806322383 /nfs/dbraw/zinc/32/23/83/806322383.db2.gz WGEULOHQGKLLCG-UHFFFAOYSA-N 0 3 275.352 2.341 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)n2cccc2)[C@H]1C ZINC001088527123 806353551 /nfs/dbraw/zinc/35/35/51/806353551.db2.gz GRWQFAFNAGSAAW-KFWWJZLASA-N 0 3 275.396 2.204 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)Cc1ccccc1Cl ZINC001272164962 806566825 /nfs/dbraw/zinc/56/68/25/806566825.db2.gz JJDVHNRPZWBKCR-UHFFFAOYSA-N 0 3 280.799 2.459 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCCC23CC3)[C@H]1C ZINC001088659137 806583558 /nfs/dbraw/zinc/58/35/58/806583558.db2.gz JSDKZSMAYFSNGO-ILXRZTDVSA-N 0 3 274.408 2.169 20 30 CEEDHN C=CC(=NCOC)NCCc1ccc(Br)cn1 ZINC001168308266 806642205 /nfs/dbraw/zinc/64/22/05/806642205.db2.gz VWRWCZUKLBYCKM-UHFFFAOYSA-N 0 3 298.184 2.165 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(F)c(F)c2)[C@H]1C ZINC001088825583 806779498 /nfs/dbraw/zinc/77/94/98/806779498.db2.gz POBOSJHHMQETCC-ABAIWWIYSA-N 0 3 294.345 2.272 20 30 CEEDHN C=CCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1cscn1 ZINC001272243611 806780315 /nfs/dbraw/zinc/78/03/15/806780315.db2.gz LPCYQRABBCOIPT-TZMCWYRMSA-N 0 3 293.436 2.484 20 30 CEEDHN CCc1ccc(CCC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000129232479 806962622 /nfs/dbraw/zinc/96/26/22/806962622.db2.gz AEGSGMUKNOSLFM-HNNXBMFYSA-N 0 3 284.359 2.169 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001038053267 806992059 /nfs/dbraw/zinc/99/20/59/806992059.db2.gz UOJMGQDMWAWFIU-NSHDSACASA-N 0 3 267.760 2.048 20 30 CEEDHN C#CCCCC(=O)N1CCC[C@H](NCc2cncs2)C1 ZINC001207935243 802327287 /nfs/dbraw/zinc/32/72/87/802327287.db2.gz OZOUMRUOGFPNRU-ZDUSSCGKSA-N 0 3 291.420 2.027 20 30 CEEDHN Cc1nc(CN2CCC3SC(=O)C=C3C2)cs1 ZINC001206798867 802414791 /nfs/dbraw/zinc/41/47/91/802414791.db2.gz RLQQXCPRRPCJDU-LLVKDONJSA-N 0 3 266.391 2.226 20 30 CEEDHN C#CCCN(C)CCNC(=O)C(C1CCC1)C1CCC1 ZINC001266313412 802428463 /nfs/dbraw/zinc/42/84/63/802428463.db2.gz KSBUSTFPYQTWMW-UHFFFAOYSA-N 0 3 276.424 2.274 20 30 CEEDHN C=CCCCN1Cc2cnn(CC)c2[C@@H](COC)C1 ZINC001209157711 802477063 /nfs/dbraw/zinc/47/70/63/802477063.db2.gz FXYOYIMQDHFOJL-CQSZACIVSA-N 0 3 263.385 2.415 20 30 CEEDHN C#CCCN(C)CCNC(=O)c1cc2cc(C)ccc2o1 ZINC001266362892 802489989 /nfs/dbraw/zinc/48/99/89/802489989.db2.gz ZCJILFCLGGXDBC-UHFFFAOYSA-N 0 3 284.359 2.426 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1cccnc1OC(C)C ZINC001266367506 802497238 /nfs/dbraw/zinc/49/72/38/802497238.db2.gz BEPJITIKAADKGW-UHFFFAOYSA-N 0 3 291.395 2.107 20 30 CEEDHN C=CCN(CC)CCNC(=O)C[C@@H]1CCC[C@H](OC)C1 ZINC001266394780 802518714 /nfs/dbraw/zinc/51/87/14/802518714.db2.gz ZEUALAGLLQDAFG-CABCVRRESA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCCCCCCCN(C)CC(=O)N1CCOCC1 ZINC001209438763 802529259 /nfs/dbraw/zinc/52/92/59/802529259.db2.gz VKPUVXQELHABTA-UHFFFAOYSA-N 0 3 282.428 2.304 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C)OCCCC ZINC001266449557 802597431 /nfs/dbraw/zinc/59/74/31/802597431.db2.gz AASFGFKGBWNRNL-HUUCEWRRSA-N 0 3 282.428 2.348 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](CCC)OCC ZINC001266477584 802623797 /nfs/dbraw/zinc/62/37/97/802623797.db2.gz RTJWQBGOSOSPAE-CABCVRRESA-N 0 3 282.428 2.348 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1cccc(OC)c1 ZINC001266492819 802629873 /nfs/dbraw/zinc/62/98/73/802629873.db2.gz XKVXBEYNWGRJMS-OAHLLOKOSA-N 0 3 288.391 2.004 20 30 CEEDHN C#CCN(CCC)CCNC(=O)[C@H]1CCCC1(C)C ZINC001266568300 802724854 /nfs/dbraw/zinc/72/48/54/802724854.db2.gz KDJCPBWVDHWDAF-CQSZACIVSA-N 0 3 264.413 2.274 20 30 CEEDHN C#CCN(CCC)CCNC(=O)[C@@H]1CCCC1(C)C ZINC001266568299 802724884 /nfs/dbraw/zinc/72/48/84/802724884.db2.gz KDJCPBWVDHWDAF-AWEZNQCLSA-N 0 3 264.413 2.274 20 30 CEEDHN C#CCN(CCC)CCNC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001266575133 802729769 /nfs/dbraw/zinc/72/97/69/802729769.db2.gz CYVHQHSXAIUDOB-JKSUJKDBSA-N 0 3 276.424 2.274 20 30 CEEDHN C=C(C)CN(CCNC(=O)[C@@]1(C)C=CCC1)C1CC1 ZINC001266607229 802765128 /nfs/dbraw/zinc/76/51/28/802765128.db2.gz RRHUAYMDVDAKJC-INIZCTEOSA-N 0 3 262.397 2.499 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2cnoc2C)C1 ZINC001266616801 802783909 /nfs/dbraw/zinc/78/39/09/802783909.db2.gz KSVZISGMURFXSG-IIAWOOMASA-N 0 3 291.395 2.322 20 30 CEEDHN C=CCCC(=O)N(C)CCNCc1ccc(F)c(F)c1 ZINC001266655241 802816744 /nfs/dbraw/zinc/81/67/44/802816744.db2.gz VKPKPZHYUGXEBU-UHFFFAOYSA-N 0 3 282.334 2.479 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001038222405 802959127 /nfs/dbraw/zinc/95/91/27/802959127.db2.gz YPIMEWFAQQNZBT-SRVKXCTJSA-N 0 3 272.339 2.044 20 30 CEEDHN C=C(C)CN1CCC[C@@H]([C@@H](C)NC(=O)C(=O)C(C)(C)C)C1 ZINC001266889354 802971187 /nfs/dbraw/zinc/97/11/87/802971187.db2.gz AZQWZABGSVKIRB-ZIAGYGMSSA-N 0 3 294.439 2.394 20 30 CEEDHN C=CCCC(=O)NC1CCC(NCc2conc2C)CC1 ZINC001266910332 802989857 /nfs/dbraw/zinc/98/98/57/802989857.db2.gz YXWMLHHHLUGRBB-UHFFFAOYSA-N 0 3 291.395 2.466 20 30 CEEDHN CC#CCN[C@H](C)CNC(=O)c1cccc(-n2cccc2)c1 ZINC001266956431 803019166 /nfs/dbraw/zinc/01/91/66/803019166.db2.gz PILJYXFIFKWERE-OAHLLOKOSA-N 0 3 295.386 2.209 20 30 CEEDHN C=CCCC(=O)N1CC[C@H](NCc2cccc(F)c2)C1 ZINC001267006894 803052960 /nfs/dbraw/zinc/05/29/60/803052960.db2.gz WGMRHFMASDDZOH-HNNXBMFYSA-N 0 3 276.355 2.482 20 30 CEEDHN CC#CCN[C@@H]1CN(C(=O)C(C)C)C[C@H]1c1ccccc1 ZINC001211534262 803062101 /nfs/dbraw/zinc/06/21/01/803062101.db2.gz XZJIEHRMRQMLGB-DLBZAZTESA-N 0 3 284.403 2.250 20 30 CEEDHN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1cc(C)ncn1 ZINC001133884335 813168658 /nfs/dbraw/zinc/16/86/58/813168658.db2.gz NWTWFRYQJMMWJU-GXTWGEPZSA-N 0 3 290.411 2.124 20 30 CEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)[C@H](CC)SC)C1 ZINC001267103008 803129175 /nfs/dbraw/zinc/12/91/75/803129175.db2.gz QVMGIDGSOVEKHA-KBPBESRZSA-N 0 3 282.453 2.074 20 30 CEEDHN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1nccnc1C ZINC001133884379 813169601 /nfs/dbraw/zinc/16/96/01/813169601.db2.gz OOYUHHFXDZFFEF-CHWSQXEVSA-N 0 3 290.411 2.124 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)CC#CC)C1 ZINC001267108271 803135368 /nfs/dbraw/zinc/13/53/68/803135368.db2.gz LNOSOKPATZFIQH-CQSZACIVSA-N 0 3 262.397 2.145 20 30 CEEDHN CN(CCNC(=O)C#CC(C)(C)C)CCc1cccs1 ZINC001267193719 803216051 /nfs/dbraw/zinc/21/60/51/803216051.db2.gz BGSRQRHTXBYQQP-UHFFFAOYSA-N 0 3 292.448 2.388 20 30 CEEDHN C#CCCN(C)CCNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001267209100 803233513 /nfs/dbraw/zinc/23/35/13/803233513.db2.gz JDPREDDKDVDNJK-UHFFFAOYSA-N 0 3 283.375 2.161 20 30 CEEDHN C#CCCN(C)CCNC(=O)Cc1ccc(Cl)c(F)c1 ZINC001267219513 803243469 /nfs/dbraw/zinc/24/34/69/803243469.db2.gz UHEVASYPTRHNMM-UHFFFAOYSA-N 0 3 296.773 2.093 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](C)OCC(C)C ZINC001267261292 803303848 /nfs/dbraw/zinc/30/38/48/803303848.db2.gz STTGTBCRWHTOSA-HUUCEWRRSA-N 0 3 282.428 2.204 20 30 CEEDHN C#CCN(CCC)CCNC(=O)C[C@@H](C)c1ccncc1 ZINC001267315044 803358179 /nfs/dbraw/zinc/35/81/79/803358179.db2.gz FQGDKHPQRQAYSR-OAHLLOKOSA-N 0 3 287.407 2.037 20 30 CEEDHN C#CCN(CCC)CCNC(=O)C1CCC=CCC1 ZINC001267320215 803363248 /nfs/dbraw/zinc/36/32/48/803363248.db2.gz BCCHWGTYWUOFRP-UHFFFAOYSA-N 0 3 262.397 2.194 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)C(C)(C)C3CC3)C[C@H]21 ZINC001042197592 803513192 /nfs/dbraw/zinc/51/31/92/803513192.db2.gz FAMRRQBMRXHPEX-GOEBONIOSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCN[C@H](CNC(=O)CC1CC1)c1ccccc1 ZINC001267516477 803520380 /nfs/dbraw/zinc/52/03/80/803520380.db2.gz DGRRGAZIQNNGME-OAHLLOKOSA-N 0 3 258.365 2.420 20 30 CEEDHN COc1ccc(CN2CCC[C@@H](C#N)CC2)cc1N ZINC001140899025 803600986 /nfs/dbraw/zinc/60/09/86/803600986.db2.gz JEZXJXQONXMNLR-GFCCVEGCSA-N 0 3 259.353 2.403 20 30 CEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1(OC)CCC1 ZINC001267704971 803665653 /nfs/dbraw/zinc/66/56/53/803665653.db2.gz JRJOAMYFHHSDBI-GJZGRUSLSA-N 0 3 292.423 2.197 20 30 CEEDHN C=CCOCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001267707173 803668657 /nfs/dbraw/zinc/66/86/57/803668657.db2.gz NUISEVIFCDHAEP-HOTGVXAUSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H](C=C)CC)C1 ZINC001267770581 803722913 /nfs/dbraw/zinc/72/29/13/803722913.db2.gz NTDGPKGTFXZWJY-UONOGXRCSA-N 0 3 250.386 2.307 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CC(C)(F)F)C1 ZINC001267771545 803724023 /nfs/dbraw/zinc/72/40/23/803724023.db2.gz IPMYSPRHQSUASV-LLVKDONJSA-N 0 3 260.328 2.141 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CCC(C)(F)F)C1 ZINC001267788526 803735209 /nfs/dbraw/zinc/73/52/09/803735209.db2.gz ZQPFNUTXMXBWFN-CYBMUJFWSA-N 0 3 286.366 2.368 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccc(C)n3)[C@@H]2C1 ZINC001075557423 803913603 /nfs/dbraw/zinc/91/36/03/803913603.db2.gz YIIOTBMHVWJPQQ-GOEBONIOSA-N 0 3 285.391 2.112 20 30 CEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccsc1 ZINC000125097357 803983985 /nfs/dbraw/zinc/98/39/85/803983985.db2.gz WXTXNFCLKWPIDW-JTQLQIEISA-N 0 3 271.301 2.104 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cscc2C)C1 ZINC001027355149 804049304 /nfs/dbraw/zinc/04/93/04/804049304.db2.gz QRCZXLZOKJHRLK-CYBMUJFWSA-N 0 3 276.405 2.226 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001027438789 804076527 /nfs/dbraw/zinc/07/65/27/804076527.db2.gz UKBODKAVZWOQAN-KGLIPLIRSA-N 0 3 298.377 2.368 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCc2cccc(C)c2)C1 ZINC001027511185 804094861 /nfs/dbraw/zinc/09/48/61/804094861.db2.gz MPUXCLMOXPSYJB-SFHVURJKSA-N 0 3 298.430 2.484 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCc2cccs2)C1 ZINC001027675318 804191573 /nfs/dbraw/zinc/19/15/73/804191573.db2.gz UAWPRGLZBCWMEY-AWEZNQCLSA-N 0 3 290.432 2.237 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(CF)cc2)C1 ZINC001027698596 804199382 /nfs/dbraw/zinc/19/93/82/804199382.db2.gz NEDHEGWNRZJGKR-INIZCTEOSA-N 0 3 288.366 2.326 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(F)s2)C1 ZINC001027701440 804201478 /nfs/dbraw/zinc/20/14/78/804201478.db2.gz XYOIVBIRMWZIHJ-LLVKDONJSA-N 0 3 280.368 2.057 20 30 CEEDHN CC(C)=CCN1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027830405 804281132 /nfs/dbraw/zinc/28/11/32/804281132.db2.gz AZSVZDMJJBILLB-CQSZACIVSA-N 0 3 286.379 2.047 20 30 CEEDHN CC(C)=CCN1CCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001027835329 804286530 /nfs/dbraw/zinc/28/65/30/804286530.db2.gz AEFHQEDQIYAHQS-OAHLLOKOSA-N 0 3 286.379 2.047 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C)sn1 ZINC001027846210 804297871 /nfs/dbraw/zinc/29/78/71/804297871.db2.gz INTWGHVVVNHYKZ-LBPRGKRZSA-N 0 3 279.409 2.222 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccncc1C ZINC001027866994 804308733 /nfs/dbraw/zinc/30/87/33/804308733.db2.gz JSPDBNGSYGFXEG-AWEZNQCLSA-N 0 3 273.380 2.160 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN1CC(=C)C ZINC001027888167 804321242 /nfs/dbraw/zinc/32/12/42/804321242.db2.gz HSIPXJUYCJLPEL-OAGGEKHMSA-N 0 3 292.423 2.124 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cccc(C)c1F ZINC001027896880 804328952 /nfs/dbraw/zinc/32/89/52/804328952.db2.gz XYNHHQPNSSNIMU-CQSZACIVSA-N 0 3 288.366 2.352 20 30 CEEDHN CC[C@@H](F)CNC[C@H](C)N(C)C(=O)C#CC(C)(C)C ZINC001268063667 804368760 /nfs/dbraw/zinc/36/87/60/804368760.db2.gz OWVSYNFQXQLVHT-QWHCGFSZSA-N 0 3 270.392 2.221 20 30 CEEDHN C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001006768864 804388057 /nfs/dbraw/zinc/38/80/57/804388057.db2.gz XVMODMYPEFIERL-CYBMUJFWSA-N 0 3 274.364 2.163 20 30 CEEDHN C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001006768864 804388065 /nfs/dbraw/zinc/38/80/65/804388065.db2.gz XVMODMYPEFIERL-CYBMUJFWSA-N 0 3 274.364 2.163 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC001028001903 804390598 /nfs/dbraw/zinc/39/05/98/804390598.db2.gz AKOMKQJWNRRMJX-HNNXBMFYSA-N 0 3 298.390 2.105 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc2c[nH]nc21 ZINC001028067454 804423535 /nfs/dbraw/zinc/42/35/35/804423535.db2.gz USKKQKSCKZEFKO-CQSZACIVSA-N 0 3 298.390 2.333 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCCN2CC(=C)C)cc1 ZINC001028067058 804425210 /nfs/dbraw/zinc/42/52/10/804425210.db2.gz NMUYAXXRYSGAEB-QGZVFWFLSA-N 0 3 282.387 2.438 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc(OC)c1C ZINC001028169351 804511120 /nfs/dbraw/zinc/51/11/20/804511120.db2.gz XNUKCRYTWHUCRZ-AWEZNQCLSA-N 0 3 288.391 2.384 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccnc(C)c1 ZINC001028212613 804554479 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C=CCCCN1CC[C@@H]1CNC(=O)c1cccc(OC)c1 ZINC001269337070 805133677 /nfs/dbraw/zinc/13/36/77/805133677.db2.gz GUWRBMQGJPXRJR-OAHLLOKOSA-N 0 3 288.391 2.466 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001028719814 805162283 /nfs/dbraw/zinc/16/22/83/805162283.db2.gz KMQLYNLDDOFFKB-AWEZNQCLSA-N 0 3 295.386 2.161 20 30 CEEDHN CC#CCNC1(CNC(=O)c2ccc3scnc3c2)CC1 ZINC001269512691 805184940 /nfs/dbraw/zinc/18/49/40/805184940.db2.gz HQZYPOGAOBUAOH-UHFFFAOYSA-N 0 3 299.399 2.172 20 30 CEEDHN C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001028740802 805196153 /nfs/dbraw/zinc/19/61/53/805196153.db2.gz PVMAJUIGGJGNIV-KBRIMQKVSA-N 0 3 297.402 2.152 20 30 CEEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2cocn2)C1 ZINC001269710866 805235524 /nfs/dbraw/zinc/23/55/24/805235524.db2.gz HUECKEGTUCZQNE-LBPRGKRZSA-N 0 3 297.786 2.259 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)C2CCC(F)(F)CC2)C1 ZINC001028829031 805285874 /nfs/dbraw/zinc/28/58/74/805285874.db2.gz PGOWDXVHPZHUQN-ZDUSSCGKSA-N 0 3 298.377 2.273 20 30 CEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H](CC)OCC)CC1 ZINC001284713201 805289884 /nfs/dbraw/zinc/28/98/84/805289884.db2.gz VUVTUZJKHQCTLU-GOEBONIOSA-N 0 3 294.439 2.042 20 30 CEEDHN C#CCCCC(=O)N1CCC[C@@H]1CNCc1ccns1 ZINC001270033598 805316772 /nfs/dbraw/zinc/31/67/72/805316772.db2.gz AAPNFLGGPOJLPL-CYBMUJFWSA-N 0 3 291.420 2.027 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001028862153 805319167 /nfs/dbraw/zinc/31/91/67/805319167.db2.gz MSURDSOHWGGYGT-BPQIPLTHSA-N 0 3 296.414 2.170 20 30 CEEDHN CC#CCNCc1ccc(CNC(=O)c2c[nH]cc2C)cc1 ZINC001270082465 805332611 /nfs/dbraw/zinc/33/26/11/805332611.db2.gz YFBALAMEGHNTNW-UHFFFAOYSA-N 0 3 295.386 2.366 20 30 CEEDHN CC#CCCCC(=O)N1CCC[C@@H]1CNCc1ccccn1 ZINC001270254513 805383487 /nfs/dbraw/zinc/38/34/87/805383487.db2.gz SEKNNVZCWBBYAI-QGZVFWFLSA-N 0 3 299.418 2.356 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc(F)cc2F)C1 ZINC001028964369 805389354 /nfs/dbraw/zinc/38/93/54/805389354.db2.gz GQZRAPGURSGETL-LBPRGKRZSA-N 0 3 292.329 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20 30 CEEDHN C#CC[C@H](CO)NCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001119504613 815122053 /nfs/dbraw/zinc/12/20/53/815122053.db2.gz JQAYCLDSAULJBU-CQSZACIVSA-N 0 3 289.766 2.204 20 30 CEEDHN Cc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)n[nH]1 ZINC000716455222 815125503 /nfs/dbraw/zinc/12/55/03/815125503.db2.gz HCMWWTMLZDQWPV-GFCCVEGCSA-N 0 3 270.336 2.471 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2cccc(C)c2F)C1 ZINC001046339436 807555796 /nfs/dbraw/zinc/55/57/96/807555796.db2.gz MXVDUCQBAQHONO-KRWDZBQOSA-N 0 3 288.366 2.352 20 30 CEEDHN C[C@@H](C(=O)N[C@H](C#N)C1CCCC1)N1CCCCCC1 ZINC001119666413 815147288 /nfs/dbraw/zinc/14/72/88/815147288.db2.gz COYHDXPRURCOHS-DZGCQCFKSA-N 0 3 277.412 2.449 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2CCC2(F)F)CC(C)(C)C1 ZINC001089416785 807962710 /nfs/dbraw/zinc/96/27/10/807962710.db2.gz PPQRYEPAIYUYGO-STQMWFEESA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccco2)CC(C)(C)C1 ZINC001089527008 808018891 /nfs/dbraw/zinc/01/88/91/808018891.db2.gz HVHHHADGWKHNND-CQSZACIVSA-N 0 3 288.391 2.062 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2c(C)noc2C(C)C)C1 ZINC001031746276 808111012 /nfs/dbraw/zinc/11/10/12/808111012.db2.gz LMFOKXREYNALSO-UHFFFAOYSA-N 0 3 291.395 2.344 20 30 CEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2nccs2)cc1 ZINC001272700268 808183978 /nfs/dbraw/zinc/18/39/78/808183978.db2.gz ISXHBTUTBLTLSD-GFCCVEGCSA-N 0 3 299.399 2.357 20 30 CEEDHN CC(C)(C)c1n[nH]cc1CNCCNc1ccc(C#N)cn1 ZINC001119985133 815183303 /nfs/dbraw/zinc/18/33/03/815183303.db2.gz ZUVRANOBKUBVGW-UHFFFAOYSA-N 0 3 298.394 2.176 20 30 CEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C[C@@H](C)SC ZINC001272731031 808279216 /nfs/dbraw/zinc/27/92/16/808279216.db2.gz XLKDOVMMNHEVNJ-WDEREUQCSA-N 0 3 278.849 2.365 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)C ZINC001032256485 808368660 /nfs/dbraw/zinc/36/86/60/808368660.db2.gz IEGBLTHQNNLWKF-KBPBESRZSA-N 0 3 250.386 2.284 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nc1 ZINC001032280995 808386558 /nfs/dbraw/zinc/38/65/58/808386558.db2.gz IVEVAJWDCQEGLE-HOTGVXAUSA-N 0 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C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc3[nH]ccc3n2)C1 ZINC001033265559 809252438 /nfs/dbraw/zinc/25/24/38/809252438.db2.gz BMYNVRJNYRVZBH-CYBMUJFWSA-N 0 3 298.390 2.285 20 30 CEEDHN CNC(=O)C(C#N)C(=O)[C@H](C)Oc1cccc(C(C)C)c1 ZINC000133492567 809253033 /nfs/dbraw/zinc/25/30/33/809253033.db2.gz GKIFFZWFSJYOPU-FZMZJTMJSA-N 0 3 288.347 2.032 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC[C@H]2CCCC[C@H]2C1 ZINC001117792170 809271073 /nfs/dbraw/zinc/27/10/73/809271073.db2.gz YPVKDTJHFQVETK-CVEARBPZSA-N 0 3 291.439 2.163 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033338523 809278079 /nfs/dbraw/zinc/27/80/79/809278079.db2.gz DIYGYAYHLMMYJY-CABCVRRESA-N 0 3 276.424 2.369 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CCc3cccnc32)C1 ZINC001033366172 809281626 /nfs/dbraw/zinc/28/16/26/809281626.db2.gz OJUAOZQQPPMSMP-HOTGVXAUSA-N 0 3 299.418 2.220 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033398320 809288659 /nfs/dbraw/zinc/28/86/59/809288659.db2.gz 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299.378 2.402 20 30 CEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)C(CC)CC)[C@H]2C1 ZINC001083007060 810419500 /nfs/dbraw/zinc/41/95/00/810419500.db2.gz HGQAEHYSUUVURY-JKSUJKDBSA-N 0 3 294.439 2.300 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001016373873 810429620 /nfs/dbraw/zinc/42/96/20/810429620.db2.gz DVHLKCWJZSEHAI-RWBZWWBESA-N 0 3 288.435 2.417 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC[C@@H]3CCCO3)[C@@H]2C1 ZINC001084204079 810447433 /nfs/dbraw/zinc/44/74/33/810447433.db2.gz LDIVSSQZDWXLTB-OWCLPIDISA-N 0 3 292.423 2.054 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001016741862 810464097 /nfs/dbraw/zinc/46/40/97/810464097.db2.gz DMYRUDVRIUNPAQ-RVKKMQEKSA-N 0 3 286.419 2.171 20 30 CEEDHN C#C[C@@](C)(CC)NC[C@@H](O)c1c(F)cccc1F ZINC000384129871 810465369 /nfs/dbraw/zinc/46/53/69/810465369.db2.gz CAWHRXQUWSNDSB-OCCSQVGLSA-N 0 3 253.292 2.390 20 30 CEEDHN C#C[C@](C)(CC)NC[C@H](O)c1c(F)cccc1F ZINC000384129865 810466303 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C#CCN[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001019484688 810715023 /nfs/dbraw/zinc/71/50/23/810715023.db2.gz AQZSRANRLXCVSN-OKZBNKHCSA-N 0 3 296.414 2.231 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc3sccc3c2)C1 ZINC001019591486 810721920 /nfs/dbraw/zinc/72/19/20/810721920.db2.gz KBJZKALHSQELJM-AWEZNQCLSA-N 0 3 284.384 2.339 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC001019753398 810736150 /nfs/dbraw/zinc/73/61/50/810736150.db2.gz MUEVYADTBXDBNB-SFHVURJKSA-N 0 3 292.382 2.206 20 30 CEEDHN C=CCN1CCN([C@@H](C)CCO[C@H](C)CC)CC1 ZINC001172340294 815396763 /nfs/dbraw/zinc/39/67/63/815396763.db2.gz JKSGJWZPTIIGNP-LSDHHAIUSA-N 0 3 254.418 2.384 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ncn2ccc(C)cc12 ZINC001038440073 810840735 /nfs/dbraw/zinc/84/07/35/810840735.db2.gz VGVUDMAFUYMFBE-CQSZACIVSA-N 0 3 298.390 2.023 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCCC ZINC001085601949 810847100 /nfs/dbraw/zinc/84/71/00/810847100.db2.gz LOBUQDXMPMTRDG-XHSDSOJGSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001038478241 810847893 /nfs/dbraw/zinc/84/78/93/810847893.db2.gz BGAKBJXVFIHCFF-OAHLLOKOSA-N 0 3 288.391 2.384 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccnn1CCC ZINC001085620593 810858007 /nfs/dbraw/zinc/85/80/07/810858007.db2.gz SIKDFOVQDNHODM-CQSZACIVSA-N 0 3 290.411 2.016 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccn1CC=C ZINC001085640315 810861037 /nfs/dbraw/zinc/86/10/37/810861037.db2.gz IVKGFKOVLTXWNX-HNNXBMFYSA-N 0 3 287.407 2.397 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(C)n1 ZINC001085685866 810876998 /nfs/dbraw/zinc/87/69/98/810876998.db2.gz DACFWVWXMULVTC-OAHLLOKOSA-N 0 3 287.407 2.421 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cn(C(C)C)cn1 ZINC001085740824 810897444 /nfs/dbraw/zinc/89/74/44/810897444.db2.gz BWFVFGDLFSUNNP-CQSZACIVSA-N 0 3 290.411 2.186 20 30 CEEDHN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001038781697 810912706 /nfs/dbraw/zinc/91/27/06/810912706.db2.gz PXNLZTSOLOGWQD-CVEARBPZSA-N 0 3 293.455 2.016 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1Cc2ccccc21 ZINC001085795121 810918911 /nfs/dbraw/zinc/91/89/11/810918911.db2.gz MSTPGNQCZKJZFL-WBVHZDCISA-N 0 3 284.403 2.435 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC001038856389 810929065 /nfs/dbraw/zinc/92/90/65/810929065.db2.gz YSUCPHHYCXEZRW-LBPRGKRZSA-N 0 3 298.337 2.049 20 30 CEEDHN C=CCCCN(CC)C(=O)[C@]1(N)C[C@H](OCC)C1(C)C ZINC001122403961 815408769 /nfs/dbraw/zinc/40/87/69/815408769.db2.gz MOTKXCIGHADTGJ-XJKSGUPXSA-N 0 3 282.428 2.334 20 30 CEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@H]1CCN1C(C)C ZINC001085865105 810950425 /nfs/dbraw/zinc/95/04/25/810950425.db2.gz UBNLFEOISHJXOY-PMPSAXMXSA-N 0 3 294.439 2.299 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnn2ccccc12 ZINC001085878031 810952243 /nfs/dbraw/zinc/95/22/43/810952243.db2.gz SBBACMXPBDYLQO-CQSZACIVSA-N 0 3 298.390 2.057 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c(C)n[nH]c1C ZINC001085877973 810952664 /nfs/dbraw/zinc/95/26/64/810952664.db2.gz 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CC#CCN1CCC2(CCN(C(=O)c3ccccn3)C2)CC1 ZINC001040578769 811116225 /nfs/dbraw/zinc/11/62/25/811116225.db2.gz AMRVLURVWXPTEM-UHFFFAOYSA-N 0 3 297.402 2.033 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)C(C)(C)C(F)F)C2)CC1 ZINC001040841626 811126022 /nfs/dbraw/zinc/12/60/22/811126022.db2.gz KWWMRHCUVHOPKQ-UHFFFAOYSA-N 0 3 298.377 2.225 20 30 CEEDHN CC#CCN1CCC2(CCN(C(=O)C(C)(C)C)C2)CC1 ZINC001040920113 811128593 /nfs/dbraw/zinc/12/85/93/811128593.db2.gz ICNIMQCUUOUNIG-UHFFFAOYSA-N 0 3 276.424 2.370 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)/C=C\c3ccco3)C2)C1 ZINC001041022905 811137910 /nfs/dbraw/zinc/13/79/10/811137910.db2.gz OSCOCOXXEJXFSM-HPFMTEOYSA-N 0 3 298.386 2.241 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3ccoc3C)C2)C1 ZINC001041052637 811139963 /nfs/dbraw/zinc/13/99/63/811139963.db2.gz VAYSKOKBDSVJQA-KRWDZBQOSA-N 0 3 286.375 2.149 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC001086430949 811141941 /nfs/dbraw/zinc/14/19/41/811141941.db2.gz PLRKGPBGCNKSIU-HOMQSWHASA-N 0 3 285.750 2.004 20 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/nfs/dbraw/zinc/26/34/78/811263478.db2.gz HQWMLZMTJSCOQR-NVXWUHKLSA-N 0 3 299.418 2.191 20 30 CEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3oncc3C)C[C@@H]21 ZINC001042298221 811265916 /nfs/dbraw/zinc/26/59/16/811265916.db2.gz CZDKPJYULBXEBW-KBPBESRZSA-N 0 3 289.379 2.096 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc(C)c1)C2 ZINC001095955780 811400988 /nfs/dbraw/zinc/40/09/88/811400988.db2.gz WUXDURNUBOLJLH-SQNIBIBYSA-N 0 3 296.414 2.282 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cn(CCC)nc1C ZINC001169143735 811410152 /nfs/dbraw/zinc/41/01/52/811410152.db2.gz BWXOVYOVWIQKJN-UHFFFAOYSA-N 0 3 298.818 2.064 20 30 CEEDHN C[C@@H](CCCC#N)N1CC[C@@](O)(C(F)(F)F)C1 ZINC001172493820 815452515 /nfs/dbraw/zinc/45/25/15/815452515.db2.gz OFFMAACNVNBGTJ-UWVGGRQHSA-N 0 3 250.264 2.068 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](C)OC)C1 ZINC001095983214 811508264 /nfs/dbraw/zinc/50/82/64/811508264.db2.gz VSBDREGSKASYSY-KBXIAJHMSA-N 0 3 292.423 2.099 20 30 CEEDHN C[C@H](CCCC#N)N1CC(N2CCC(F)CC2)C1 ZINC001172500353 815455686 /nfs/dbraw/zinc/45/56/86/815455686.db2.gz MNFLQJFEBIPRBK-GFCCVEGCSA-N 0 3 253.365 2.187 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1ccco1)C2 ZINC001096000844 811548009 /nfs/dbraw/zinc/54/80/09/811548009.db2.gz FRIFACNXTZDSOA-XGUBFFRZSA-N 0 3 286.375 2.128 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C1=CCCC1)C2 ZINC001045928362 811666567 /nfs/dbraw/zinc/66/65/67/811666567.db2.gz SYJLNGQXZOVJKK-GOSISDBHSA-N 0 3 286.419 2.435 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC13CC3)C2 ZINC001045968628 811669664 /nfs/dbraw/zinc/66/96/64/811669664.db2.gz DUOIOTAREJTMPY-RDJZCZTQSA-N 0 3 286.419 2.124 20 30 CEEDHN C[C@@H](C#N)C(=O)N[C@@H](C)CCCCNCc1cscn1 ZINC001169831664 811675517 /nfs/dbraw/zinc/67/55/17/811675517.db2.gz JPHCGGUUNPKLPR-RYUDHWBXSA-N 0 3 294.424 2.067 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)c2cccc(C)c2)C1 ZINC001046110416 811687973 /nfs/dbraw/zinc/68/79/73/811687973.db2.gz DJBNUCXENYWOAK-MRXNPFEDSA-N 0 3 258.365 2.375 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(C)n2C)C1 ZINC001046143895 811695116 /nfs/dbraw/zinc/69/51/16/811695116.db2.gz XCEATJPTTFFQBA-INIZCTEOSA-N 0 3 275.396 2.104 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ncccc2C)C1 ZINC001046213377 811710660 /nfs/dbraw/zinc/71/06/60/811710660.db2.gz HPXARXXGEKSFHQ-MRXNPFEDSA-N 0 3 273.380 2.160 20 30 CEEDHN CS(=O)(=O)C1CCC(N2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001169891364 811712647 /nfs/dbraw/zinc/71/26/47/811712647.db2.gz BONZKJRCMKVLDE-ITODHXQASA-N 0 3 296.436 2.109 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2cc(C)c(C)o2)C1 ZINC001046243862 811718946 /nfs/dbraw/zinc/71/89/46/811718946.db2.gz HQPRJXHTYVPQRF-INIZCTEOSA-N 0 3 274.364 2.114 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cc(C(C)C)nn1C ZINC001169968551 811720424 /nfs/dbraw/zinc/72/04/24/811720424.db2.gz ZUPJXVSSFIKOFZ-UHFFFAOYSA-N 0 3 298.818 2.006 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2coc(C)c2)C1 ZINC001046264493 811726020 /nfs/dbraw/zinc/72/60/20/811726020.db2.gz AYTGHOZWGFOLIY-HNNXBMFYSA-N 0 3 262.353 2.358 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)C2CC(C)(C)C2)C1 ZINC001046292342 811731168 /nfs/dbraw/zinc/73/11/68/811731168.db2.gz SUZWRIPQTUJEEQ-MRXNPFEDSA-N 0 3 262.397 2.027 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001046334386 811739156 /nfs/dbraw/zinc/73/91/56/811739156.db2.gz LUOZKEWCKYRQFC-JYYAWHABSA-N 0 3 274.408 2.355 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H]2CCCC23CC3)C1 ZINC001046419879 811752519 /nfs/dbraw/zinc/75/25/19/811752519.db2.gz BTLPUJLTUSMYBV-GDBMZVCRSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2c(C)oc(C)c2C)C1 ZINC001046466133 811759084 /nfs/dbraw/zinc/75/90/84/811759084.db2.gz BUCVBQMERNOVIP-QGZVFWFLSA-N 0 3 288.391 2.422 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cccc(F)c2F)C1 ZINC001046580920 811779140 /nfs/dbraw/zinc/77/91/40/811779140.db2.gz BLLYFYROZOXBMM-MRXNPFEDSA-N 0 3 292.329 2.182 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc3nccn3c2)C1 ZINC001046760503 811812707 /nfs/dbraw/zinc/81/27/07/811812707.db2.gz 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CC(C)C(=O)N1C[C@H](C)[C@H](CNCc2ccccc2C#N)C1 ZINC001048146461 811944502 /nfs/dbraw/zinc/94/45/02/811944502.db2.gz ILGFLDBJIADDRG-WMLDXEAASA-N 0 3 299.418 2.398 20 30 CEEDHN N#CCC1CN([C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172669642 815490172 /nfs/dbraw/zinc/49/01/72/815490172.db2.gz WMLPSJGNONXSRW-INIZCTEOSA-N 0 3 283.375 2.023 20 30 CEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCSC)CC1 ZINC001112606487 812015857 /nfs/dbraw/zinc/01/58/57/812015857.db2.gz ZQYIAVZLIUKHGD-CYBMUJFWSA-N 0 3 270.442 2.238 20 30 CEEDHN C=CCC[C@H](C)N1CCN(C(=O)CCCCOC)CC1 ZINC001112679873 812041731 /nfs/dbraw/zinc/04/17/31/812041731.db2.gz FZKXWYIQRKCMQR-HNNXBMFYSA-N 0 3 282.428 2.302 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C3CCCCCCC3)C[C@@H]2C1 ZINC001048931000 812044727 /nfs/dbraw/zinc/04/47/27/812044727.db2.gz ULUBVXAVURMPAF-CALCHBBNSA-N 0 3 288.435 2.370 20 30 CEEDHN CC(C)(C#N)CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000903101122 812055403 /nfs/dbraw/zinc/05/54/03/812055403.db2.gz AHHYJPREJOQGOZ-VXGBXAGGSA-N 0 3 291.355 2.414 20 30 CEEDHN C#CCCCCC(=O)N1CCN(C[C@H](C)CC)CC1 ZINC001112774091 812063697 /nfs/dbraw/zinc/06/36/97/812063697.db2.gz GWTOOBYYRLIFDP-OAHLLOKOSA-N 0 3 264.413 2.370 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccsc3Cl)C[C@@H]2C1 ZINC001049098311 812070053 /nfs/dbraw/zinc/07/00/53/812070053.db2.gz FYHHMJSQSUADKT-PHIMTYICSA-N 0 3 294.807 2.039 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)C3CCCC3)C[C@@H]2C1 ZINC001049165698 812080883 /nfs/dbraw/zinc/08/08/83/812080883.db2.gz YTGABUQYVOBROK-BHYGNILZSA-N 0 3 288.435 2.226 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)COC1CCCC1 ZINC001049344185 812125221 /nfs/dbraw/zinc/12/52/21/812125221.db2.gz CGSWHZKTPRODLT-JKSUJKDBSA-N 0 3 292.423 2.197 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC(F)(F)C1 ZINC001049405451 812138715 /nfs/dbraw/zinc/13/87/15/812138715.db2.gz ITLLVAPZSGCVMJ-QWHCGFSZSA-N 0 3 284.350 2.283 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC(C)C1 ZINC001049406383 812140407 /nfs/dbraw/zinc/14/04/07/812140407.db2.gz 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/nfs/dbraw/zinc/17/91/60/812179160.db2.gz PNJAQYIRQFLSDY-BFHYXJOUSA-N 0 3 268.376 2.376 20 30 CEEDHN C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)co1 ZINC001049662988 812185123 /nfs/dbraw/zinc/18/51/23/812185123.db2.gz KSKBKMNXYRJDIA-CABCVRRESA-N 0 3 286.375 2.290 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccnc1C ZINC001049673889 812187022 /nfs/dbraw/zinc/18/70/22/812187022.db2.gz AOBAZFQYXFYXQY-HZPDHXFCSA-N 0 3 285.391 2.255 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC12CCC2 ZINC001049756833 812205476 /nfs/dbraw/zinc/20/54/76/812205476.db2.gz XVECDLPEIDFKKG-OWCLPIDISA-N 0 3 286.419 2.265 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c([nH]1)CCC2 ZINC001049844168 812217982 /nfs/dbraw/zinc/21/79/82/812217982.db2.gz NONVGNHAFHWYHV-IRXDYDNUSA-N 0 3 299.418 2.368 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3ccc(C)n3C)[C@@H]2C1 ZINC001049970291 812244420 /nfs/dbraw/zinc/24/44/20/812244420.db2.gz ZXJVDWXYMBGURA-GOEBONIOSA-N 0 3 287.407 2.056 20 30 CEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)/C=C(/C)C3CC3)[C@@H]2C1 ZINC001049987617 812248487 /nfs/dbraw/zinc/24/84/87/812248487.db2.gz OLGFNLBJRKBRFR-OZVXOSDZSA-N 0 3 286.419 2.289 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C1CCC1)C2 ZINC001096943446 812304112 /nfs/dbraw/zinc/30/41/12/812304112.db2.gz AEJTZPKCXBXIOV-KFWWJZLASA-N 0 3 260.381 2.394 20 30 CEEDHN CC(C)=CC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001113815447 812349427 /nfs/dbraw/zinc/34/94/27/812349427.db2.gz BDDXWLHQWQLTRQ-VQFNDLOPSA-N 0 3 295.386 2.071 20 30 CEEDHN CN1CC(CNc2cccc3[nH]cc(CC#N)c32)C1 ZINC001170256373 812363875 /nfs/dbraw/zinc/36/38/75/812363875.db2.gz IRJMUANDAJQIGY-UHFFFAOYSA-N 0 3 254.337 2.207 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)C2(C)CC2)CC1 ZINC001123473608 815522283 /nfs/dbraw/zinc/52/22/83/815522283.db2.gz SEFJOWCZCTZCTI-LBPRGKRZSA-N 0 3 265.401 2.125 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)[C@H](F)c2ccccc2)CC1 ZINC001052752725 812456329 /nfs/dbraw/zinc/45/63/29/812456329.db2.gz 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C#CCN1CCC2(CN(C(=O)c3ccsc3C)C2)CC1 ZINC001050512093 812835219 /nfs/dbraw/zinc/83/52/19/812835219.db2.gz PERNYMMPMBWZMR-UHFFFAOYSA-N 0 3 288.416 2.228 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)CCOC)CC[C@@H]1C ZINC001132396567 812839945 /nfs/dbraw/zinc/83/99/45/812839945.db2.gz IEYBNWVTMQSQDU-LSDHHAIUSA-N 0 3 294.439 2.042 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@H]3CCC(C)(C)C3)C2)CC1 ZINC001050656812 812848014 /nfs/dbraw/zinc/84/80/14/812848014.db2.gz MCBHDYWZORLVBB-HNNXBMFYSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCCCC(=O)NCCNCc1csc(C)c1 ZINC001132593213 812903661 /nfs/dbraw/zinc/90/36/61/812903661.db2.gz WHBQTXCNFYJETL-UHFFFAOYSA-N 0 3 278.421 2.456 20 30 CEEDHN CC1(C)CC[C@@H]1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001132636102 812908671 /nfs/dbraw/zinc/90/86/71/812908671.db2.gz NZEJWYGXUNZZKZ-OAHLLOKOSA-N 0 3 285.391 2.200 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)C[C@@H]2C=CCC2)CC1 ZINC001052190248 812942817 /nfs/dbraw/zinc/94/28/17/812942817.db2.gz JJMVHBTXYQSPQO-HZPDHXFCSA-N 0 3 274.408 2.337 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)C2CC(C)C2)CC1 ZINC001052292129 812964848 /nfs/dbraw/zinc/96/48/48/812964848.db2.gz BLPBHISRMXWWOT-YMAMQOFZSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2conc2C(C)C)CC1 ZINC001052442044 812992770 /nfs/dbraw/zinc/99/27/70/812992770.db2.gz QWSYPFGIPOFPHJ-ZDUSSCGKSA-N 0 3 289.379 2.016 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc3cnccc3o2)CC1 ZINC001052529863 813004251 /nfs/dbraw/zinc/00/42/51/813004251.db2.gz TUIVKZXJWJLVFV-CQSZACIVSA-N 0 3 297.358 2.045 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)c2cc(C)co2)CC1 ZINC001052643124 813021104 /nfs/dbraw/zinc/02/11/04/813021104.db2.gz GHZBUZVZXVZNJK-CQSZACIVSA-N 0 3 274.364 2.196 20 30 CEEDHN C=CCCC1(C(=O)NCCNCc2cnccc2C)CC1 ZINC001133376145 813041767 /nfs/dbraw/zinc/04/17/67/813041767.db2.gz ZHIVUQFHBSOXSP-UHFFFAOYSA-N 0 3 287.407 2.342 20 30 CEEDHN C[C@H](C(=O)NCCNCc1ccc(C#N)cc1)c1ccco1 ZINC001133728618 813144773 /nfs/dbraw/zinc/14/47/73/813144773.db2.gz XQMBVXRHSXUOCD-ZDUSSCGKSA-N 0 3 297.358 2.161 20 30 CEEDHN C#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nccs1 ZINC001134200520 813232994 /nfs/dbraw/zinc/23/29/94/813232994.db2.gz GCZCCXOPFUZTBF-OLZOCXBDSA-N 0 3 293.436 2.320 20 30 CEEDHN Cc1nocc1CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)C ZINC001134317481 813250003 /nfs/dbraw/zinc/25/00/03/813250003.db2.gz JQOIMQNHWDDJCD-STQMWFEESA-N 0 3 291.395 2.015 20 30 CEEDHN C=CCC(C)(C)C(=O)NCCNCc1cccnc1C ZINC001134410089 813266425 /nfs/dbraw/zinc/26/64/25/813266425.db2.gz CVKWOMQEJKSBOD-UHFFFAOYSA-N 0 3 275.396 2.198 20 30 CEEDHN C=C(C)CN1CC[C@]2(CCCN2C[C@@H]2CCC=CO2)C1=O ZINC001273442578 813340612 /nfs/dbraw/zinc/34/06/12/813340612.db2.gz BDMFCGAHFYDHOQ-DOTOQJQBSA-N 0 3 290.407 2.322 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)Cc2cccs2)CC[C@H]1C ZINC001071312252 813359360 /nfs/dbraw/zinc/35/93/60/813359360.db2.gz IAWSPCZPEWQEHC-KGLIPLIRSA-N 0 3 290.432 2.283 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(CC)n[nH]2)CC[C@H]1C ZINC001071352281 813374481 /nfs/dbraw/zinc/37/44/81/813374481.db2.gz OZVKSAIKZQDTLG-TZMCWYRMSA-N 0 3 290.411 2.131 20 30 CEEDHN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1cnns1 ZINC001135358668 813415126 /nfs/dbraw/zinc/41/51/26/813415126.db2.gz WIIXJAGKRGKBFZ-RYUDHWBXSA-N 0 3 296.440 2.267 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(CC)o2)CC[C@H]1C ZINC001071619004 813451911 /nfs/dbraw/zinc/45/19/11/813451911.db2.gz IGNPEYHMCAYSEB-KGLIPLIRSA-N 0 3 288.391 2.448 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2c[nH]nc2CC)CC[C@H]1C ZINC001071638600 813457410 /nfs/dbraw/zinc/45/74/10/813457410.db2.gz MKGAFGGBCZDXMF-OLZOCXBDSA-N 0 3 290.411 2.131 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(F)c[nH]2)CC[C@H]1C ZINC001071693754 813464242 /nfs/dbraw/zinc/46/42/42/813464242.db2.gz WKGMNTALBXRRLO-YPMHNXCESA-N 0 3 279.359 2.313 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(Cl)[nH]2)CC[C@@H]1C ZINC001071804265 813486340 /nfs/dbraw/zinc/48/63/40/813486340.db2.gz ZIDBWZFMBLLENU-RYUDHWBXSA-N 0 3 293.798 2.274 20 30 CEEDHN C=CCCN1C[C@H](NC(=O)c2nccs2)CC[C@@H]1C ZINC001071926836 813514866 /nfs/dbraw/zinc/51/48/66/813514866.db2.gz DMYLFDCTGDHYDH-NWDGAFQWSA-N 0 3 279.409 2.302 20 30 CEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2conc2C)C1 ZINC001086791542 813529662 /nfs/dbraw/zinc/52/96/62/813529662.db2.gz CZLYWEOCYBYQGW-NWDGAFQWSA-N 0 3 297.786 2.224 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3cccc(C)c3)C2)C1 ZINC001072434400 813591011 /nfs/dbraw/zinc/59/10/11/813591011.db2.gz CPSJSDVTAYDMDC-UHFFFAOYSA-N 0 3 270.376 2.329 20 30 CEEDHN C=CCC[N@H+]1CCC2(CN(C(=O)c3ccccc3[O-])C2)C1 ZINC001072488922 813598552 /nfs/dbraw/zinc/59/85/52/813598552.db2.gz ZXTDQZAVJCREMR-UHFFFAOYSA-N 0 3 286.375 2.116 20 30 CEEDHN C=CCC[N@@H+]1CCC2(CN(C(=O)c3ccccc3[O-])C2)C1 ZINC001072488922 813598560 /nfs/dbraw/zinc/59/85/60/813598560.db2.gz ZXTDQZAVJCREMR-UHFFFAOYSA-N 0 3 286.375 2.116 20 30 CEEDHN C/C=C(/C)C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100228277 813643651 /nfs/dbraw/zinc/64/36/51/813643651.db2.gz JWLYJRYNZKRQKY-CQPUUCJISA-N 0 3 296.414 2.489 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C(C)=C3CCC3)C2)C1 ZINC001072713641 813644026 /nfs/dbraw/zinc/64/40/26/813644026.db2.gz FVBLHZCFUWPVBN-UHFFFAOYSA-N 0 3 260.381 2.207 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3CCC[C@@H](F)C3)C2)C1 ZINC001072728984 813647040 /nfs/dbraw/zinc/64/70/40/813647040.db2.gz MLSFOGGFVJPNPE-ZIAGYGMSSA-N 0 3 280.387 2.235 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3cc4occc4[nH]3)C2)C1 ZINC001072789162 813656628 /nfs/dbraw/zinc/65/66/28/813656628.db2.gz BYNOOUCUNGRUDF-UHFFFAOYSA-N 0 3 285.347 2.095 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CCC(F)(F)C3)C2)C1 ZINC001072803216 813660135 /nfs/dbraw/zinc/66/01/35/813660135.db2.gz IAOKGJVGAVDEHO-LBPRGKRZSA-N 0 3 284.350 2.142 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2(C)CCCCC2)[C@H](O)C1 ZINC001090541781 813706853 /nfs/dbraw/zinc/70/68/53/813706853.db2.gz YACHJAXTYXAWHC-HUUCEWRRSA-N 0 3 294.439 2.084 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3c(C)nsc3C)C2)C1 ZINC001073467682 813754811 /nfs/dbraw/zinc/75/48/11/813754811.db2.gz CNXIRGFUMOHMEN-UHFFFAOYSA-N 0 3 291.420 2.094 20 30 CEEDHN N#Cc1cccc(Cl)c1CN1CCN2CC[C@H]2C1 ZINC001143732197 813868727 /nfs/dbraw/zinc/86/87/27/813868727.db2.gz NIAGDKWYYKDFTH-LBPRGKRZSA-N 0 3 261.756 2.102 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2=CCCCCC2)C1 ZINC001098809349 813952490 /nfs/dbraw/zinc/95/24/90/813952490.db2.gz PENQIMQUXYMPDX-WMZOPIPTSA-N 0 3 286.419 2.481 20 30 CEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)SC ZINC001098926747 813963025 /nfs/dbraw/zinc/96/30/25/813963025.db2.gz CTLWLMJIFCQWKT-KGLIPLIRSA-N 0 3 296.480 2.368 20 30 CEEDHN COC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cn1 ZINC001144163337 813971738 /nfs/dbraw/zinc/97/17/38/813971738.db2.gz CENXICMJOIUNBN-YIONKMFJSA-N 0 3 257.337 2.095 20 30 CEEDHN C#CCCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)co2)C1 ZINC001098986423 813972034 /nfs/dbraw/zinc/97/20/34/813972034.db2.gz RXVJDGZZYSBBJF-YOEHRIQHSA-N 0 3 286.375 2.196 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cn2cccnc2n1 ZINC001171175230 814056649 /nfs/dbraw/zinc/05/66/49/814056649.db2.gz JBBYMKKJALWFMQ-ZDUSSCGKSA-N 0 3 291.358 2.322 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)C(F)=C(C)C)C1 ZINC001100236817 814082042 /nfs/dbraw/zinc/08/20/42/814082042.db2.gz HFZMLZJCBOJOGK-UHFFFAOYSA-N 0 3 274.767 2.487 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cn(CCF)cn1 ZINC001171198708 814111963 /nfs/dbraw/zinc/11/19/63/814111963.db2.gz OFFKAYSOZBCTAO-ZDUSSCGKSA-N 0 3 286.354 2.445 20 30 CEEDHN C#Cc1ccc(CN2CCC(OC(=O)NCC)CC2)cc1 ZINC001144578424 814115329 /nfs/dbraw/zinc/11/53/29/814115329.db2.gz BYVBJIJMTPLXIQ-UHFFFAOYSA-N 0 3 286.375 2.378 20 30 CEEDHN Cn1nnc2cc(CN3[C@@H]4CC[C@H]3C[C@H](C#N)C4)ccc21 ZINC001144641121 814134344 /nfs/dbraw/zinc/13/43/44/814134344.db2.gz HZMVNSWOAJKHON-ZSOGYDGISA-N 0 3 281.363 2.235 20 30 CEEDHN CCN1CCN([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171202971 814136442 /nfs/dbraw/zinc/13/64/42/814136442.db2.gz HUQGAMKCDBJDJR-AWEZNQCLSA-N 0 3 257.381 2.127 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)N1CCN(C2CC2)CC1 ZINC001171203085 814143842 /nfs/dbraw/zinc/14/38/42/814143842.db2.gz ISDBHCKNHOUGST-CQSZACIVSA-N 0 3 269.392 2.269 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cccnc2C)C1 ZINC001091210225 814182178 /nfs/dbraw/zinc/18/21/78/814182178.db2.gz WWLILJREMFHLBM-UHFFFAOYSA-N 0 3 293.798 2.241 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)N1CC(N2CCCC2)C1 ZINC001171220896 814182813 /nfs/dbraw/zinc/18/28/13/814182813.db2.gz FHCFMRJCUCEFBY-AWEZNQCLSA-N 0 3 269.392 2.269 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)CC)C[C@]2(C)C1 ZINC001101219330 814234309 /nfs/dbraw/zinc/23/43/09/814234309.db2.gz VRHZIFXUUAQVTN-UXLLHSPISA-N 0 3 276.424 2.226 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)/C=C\c3ccco3)C[C@]2(C)C1 ZINC001091440530 814241775 /nfs/dbraw/zinc/24/17/75/814241775.db2.gz NRVYQTPKNGAXGG-JKNDDFDJSA-N 0 3 298.386 2.096 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(CCF)C[C@H]1C ZINC001102326690 814380743 /nfs/dbraw/zinc/38/07/43/814380743.db2.gz YNACIRPKJQLUDO-NFAWXSAZSA-N 0 3 270.392 2.242 20 30 CEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2CC2)C1 ZINC001102631287 814403767 /nfs/dbraw/zinc/40/37/67/814403767.db2.gz VUYRYUZWUHFAPQ-ZWNOBZJWSA-N 0 3 270.804 2.223 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)CC(C)C)C2)C1 ZINC001148495912 814574335 /nfs/dbraw/zinc/57/43/35/814574335.db2.gz BBBKHSVJOCFIFD-OAHLLOKOSA-N 0 3 276.424 2.226 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)/C(C)=C/CC)C1 ZINC001111632409 814591424 /nfs/dbraw/zinc/59/14/24/814591424.db2.gz NWGDLPVLHMOBBF-UYGWQNBPSA-N 0 3 262.397 2.499 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)CC)C1 ZINC001111728697 814601411 /nfs/dbraw/zinc/60/14/11/814601411.db2.gz LGAGXSOUEGJGEO-VYDXJSESSA-N 0 3 276.424 2.417 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C(C)C)C1 ZINC001111890135 814628083 /nfs/dbraw/zinc/62/80/83/814628083.db2.gz QCHVUMLPHYGYAX-VYDXJSESSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3cccnc3)C2)CC1 ZINC001086898254 814645708 /nfs/dbraw/zinc/64/57/08/814645708.db2.gz DYLFNMUXGIQFQQ-OAHLLOKOSA-N 0 3 297.402 2.031 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccncc3)C2)CC1 ZINC001086898342 814645862 /nfs/dbraw/zinc/64/58/62/814645862.db2.gz GJXNHVAMKGFUAY-OAHLLOKOSA-N 0 3 297.402 2.031 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)C3CC3)C2)CC1 ZINC001086913229 814650274 /nfs/dbraw/zinc/65/02/74/814650274.db2.gz KMDBTCPVVBMJIP-CABCVRRESA-N 0 3 288.435 2.369 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](F)C(C)C)C2)CC1 ZINC001086938560 814653324 /nfs/dbraw/zinc/65/33/24/814653324.db2.gz UIMSROXNRSJMNK-CABCVRRESA-N 0 3 294.414 2.317 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2cc(C)sc2C)[C@H](C)C1 ZINC001092794451 814727615 /nfs/dbraw/zinc/72/76/15/814727615.db2.gz PBYRDYJMSCYHGS-BXUZGUMPSA-N 0 3 290.432 2.296 20 30 CEEDHN C=C/C=C/CCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000713500299 814859746 /nfs/dbraw/zinc/85/97/46/814859746.db2.gz UJTKDGJJLWDJAA-ONEGZZNKSA-N 0 3 290.388 2.054 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2c(C)cccc2F)[C@H](C)C1 ZINC001093253200 814899956 /nfs/dbraw/zinc/89/99/56/814899956.db2.gz DBYAOEYJLJBGIQ-ZIAGYGMSSA-N 0 3 288.366 2.065 20 30 CEEDHN CCOC(=O)C(C#N)NC(=O)Nc1ccc(C)c(Cl)c1 ZINC001202810983 815687917 /nfs/dbraw/zinc/68/79/17/815687917.db2.gz RDLDUOLCNCKTBK-LLVKDONJSA-N 0 3 295.726 2.225 20 30 CEEDHN CC1(C#N)CCC(N[C@@H]2c3ccccc3CNC2=O)CC1 ZINC001173588514 815754254 /nfs/dbraw/zinc/75/42/54/815754254.db2.gz JJQCKKDQFQJEQV-GNHJJJEISA-N 0 3 283.375 2.420 20 30 CEEDHN C#CCOc1ccc(CN(C)[C@H]2CCCOC2)cc1OC ZINC001138348645 815773419 /nfs/dbraw/zinc/77/34/19/815773419.db2.gz XGIGKKTULCJTFG-HNNXBMFYSA-N 0 3 289.375 2.318 20 30 CEEDHN C#CCOc1ccc(CN2CC[C@@H]3CCO[C@H]3C2)cc1 ZINC001138556110 815828607 /nfs/dbraw/zinc/82/86/07/815828607.db2.gz GGEWXOAEMGWQEO-WBVHZDCISA-N 0 3 271.360 2.309 20 30 CEEDHN C=CCN1CC=C(CCNC(=O)[C@H](C)[C@H]2CCCO2)CC1 ZINC001161184855 815994404 /nfs/dbraw/zinc/99/44/04/815994404.db2.gz LVVWTPZBAMFEBV-GDBMZVCRSA-N 0 3 292.423 2.126 20 30 CEEDHN C=CCn1cc(CN2CC[C@@H](c3ccccn3)C2)cn1 ZINC001139770177 816110680 /nfs/dbraw/zinc/11/06/80/816110680.db2.gz GHAYMAZLKQMYFZ-OAHLLOKOSA-N 0 3 268.364 2.454 20 30 CEEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853122 816129932 /nfs/dbraw/zinc/12/99/32/816129932.db2.gz GGLNOMWYBBMQSS-XMQYKBBCSA-N 0 3 294.362 2.133 20 30 CEEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853122 816129937 /nfs/dbraw/zinc/12/99/37/816129937.db2.gz GGLNOMWYBBMQSS-XMQYKBBCSA-N 0 3 294.362 2.133 20 30 CEEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nn[n-]n2)c1 ZINC001139853122 816129941 /nfs/dbraw/zinc/12/99/41/816129941.db2.gz GGLNOMWYBBMQSS-XMQYKBBCSA-N 0 3 294.362 2.133 20 30 CEEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2nn[n-]n2)c1 ZINC001139853122 816129945 /nfs/dbraw/zinc/12/99/45/816129945.db2.gz GGLNOMWYBBMQSS-XMQYKBBCSA-N 0 3 294.362 2.133 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)COc1ccccc1C ZINC001175113503 816133040 /nfs/dbraw/zinc/13/30/40/816133040.db2.gz NTTUULDDZIDVFK-UHFFFAOYSA-N 0 3 296.798 2.222 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1c[nH]c2ncccc12 ZINC001176357232 816400630 /nfs/dbraw/zinc/40/06/30/816400630.db2.gz FUOLIFYTEFZBLQ-UHFFFAOYSA-N 0 3 292.770 2.025 20 30 CEEDHN Cc1cnc(NC(=O)C(C#N)Cc2cccs2)nc1C ZINC001177904464 816640598 /nfs/dbraw/zinc/64/05/98/816640598.db2.gz LVHSGSCWARZAMN-LLVKDONJSA-N 0 3 286.360 2.476 20 30 CEEDHN C#C[C@H](CCC)NC[C@H](O)c1c(F)cccc1F ZINC000229978371 816670274 /nfs/dbraw/zinc/67/02/74/816670274.db2.gz MAZLFDCWSQSGRH-MFKMUULPSA-N 0 3 253.292 2.390 20 30 CEEDHN C=CCCC(=O)N1CC[C@H](NCc2cncs2)[C@@H]1C ZINC001178311550 816724232 /nfs/dbraw/zinc/72/42/32/816724232.db2.gz DZNFKCRAXNYLAP-AAEUAGOBSA-N 0 3 279.409 2.188 20 30 CEEDHN CC(=O)N(C)[C@@H]1CCN(Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142926626 816758744 /nfs/dbraw/zinc/75/87/44/816758744.db2.gz WGIGAJAFAWFXNL-OAHLLOKOSA-N 0 3 296.374 2.092 20 30 CEEDHN O=C1C=C2CN(Cc3ccc4nccn4c3)CCC2S1 ZINC001143023308 816772924 /nfs/dbraw/zinc/77/29/24/816772924.db2.gz YAJLUKDIDOZOJH-CYBMUJFWSA-N 0 3 285.372 2.108 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000336245121 365533316 /nfs/dbraw/zinc/53/33/16/365533316.db2.gz GLSYBCFSMZOGOU-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCN(C)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000121230999 365538709 /nfs/dbraw/zinc/53/87/09/365538709.db2.gz SVWSUKPRDPMLFN-UHFFFAOYSA-N 0 3 259.305 2.425 20 30 CEEDHN C=CCN(C)C[C@@H](O)COCc1ccccc1Cl ZINC000121337172 365554799 /nfs/dbraw/zinc/55/47/99/365554799.db2.gz HLQKNRIGZVEXKT-CYBMUJFWSA-N 0 3 269.772 2.335 20 30 CEEDHN C=CCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000121503218 365577156 /nfs/dbraw/zinc/57/71/56/365577156.db2.gz JZFRBIZEDOFHJV-UHFFFAOYSA-N 0 3 263.297 2.041 20 30 CEEDHN CC(C#N)C(=O)N1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000336513757 365586821 /nfs/dbraw/zinc/58/68/21/365586821.db2.gz YESAZXKYHTVQPA-GZMMTYOYSA-N 0 3 278.274 2.104 20 30 CEEDHN N#Cc1cnc(NC[C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000124732204 187151139 /nfs/dbraw/zinc/15/11/39/187151139.db2.gz IBIITPMKRYCMMP-INIZCTEOSA-N 0 3 293.374 2.425 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)C2(C#N)CCCC2)CCN1C ZINC000123888231 365643127 /nfs/dbraw/zinc/64/31/27/365643127.db2.gz SVKNDTKKMREHFG-CHWSQXEVSA-N 0 3 263.385 2.011 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000336581581 365673590 /nfs/dbraw/zinc/67/35/90/365673590.db2.gz MHAQLEXJWOPNBR-SMDDNHRTSA-N 0 3 286.379 2.471 20 30 CEEDHN C=C(C)COCCNCc1ccc(OC)c(OC)c1OC ZINC000125788872 365685952 /nfs/dbraw/zinc/68/59/52/365685952.db2.gz DYHUYFNUIAABTB-UHFFFAOYSA-N 0 3 295.379 2.395 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC(SC)CC2)CC1 ZINC000601575739 346853366 /nfs/dbraw/zinc/85/33/66/346853366.db2.gz RZJVLPGQKQPKTO-UHFFFAOYSA-N 0 3 297.468 2.174 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H]2C(F)F)cc1 ZINC000601603741 346858354 /nfs/dbraw/zinc/85/83/54/346858354.db2.gz MGBBELDPYISDNB-STQMWFEESA-N 0 3 289.285 2.107 20 30 CEEDHN C=C(Br)CNC1CCN(C(=O)OCC)CC1 ZINC000037681148 361921617 /nfs/dbraw/zinc/92/16/17/361921617.db2.gz LVRRQOUBSNMLKP-UHFFFAOYSA-N 0 3 291.189 2.106 20 30 CEEDHN N#CCCCOc1cccc(CNCC2(CO)CC2)c1 ZINC000080246630 344004145 /nfs/dbraw/zinc/00/41/45/344004145.db2.gz RLXPYPIZGDOCJV-UHFFFAOYSA-N 0 3 274.364 2.231 20 30 CEEDHN C[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccn1 ZINC000037889254 361959259 /nfs/dbraw/zinc/95/92/59/361959259.db2.gz RNISEEZROTVZAX-LRDDRELGSA-N 0 3 267.332 2.337 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000601702507 346882497 /nfs/dbraw/zinc/88/24/97/346882497.db2.gz OIINFTWXULYSFZ-PELKAZGASA-N 0 3 284.718 2.178 20 30 CEEDHN CN1CCC[C@@H]1C(=O)NCCC(=O)Nc1cccnc1 ZINC000328864212 539187358 /nfs/dbraw/zinc/18/73/58/539187358.db2.gz MSBKGTLHKNRHAX-GFCCVEGCSA-N 0 3 276.340 2.110 20 30 CEEDHN C=CC[C@@H](CO)N[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000621758684 349694477 /nfs/dbraw/zinc/69/44/77/349694477.db2.gz GVKUDEOGBUCEAV-ZFWWWQNUSA-N 0 3 274.364 2.011 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000668599141 539208881 /nfs/dbraw/zinc/20/88/81/539208881.db2.gz RDRVIRCLJABZMB-GOEBONIOSA-N 0 3 259.349 2.208 20 30 CEEDHN C=CCOc1ccc(CN2CCC3(COC3)C2)cc1 ZINC000668720918 539246236 /nfs/dbraw/zinc/24/62/36/539246236.db2.gz DXUNFNWJXWQVML-UHFFFAOYSA-N 0 3 259.349 2.474 20 30 CEEDHN CC[C@@H](NC(=O)C(C)C#N)c1nc2ccccc2[nH]1 ZINC000347141993 529652677 /nfs/dbraw/zinc/65/26/77/529652677.db2.gz VKWPDSFQGIOILY-VHSXEESVSA-N 0 3 256.309 2.290 20 30 CEEDHN COCC#CCN1CCSC2(CCCCC2)C1 ZINC000677819790 539270115 /nfs/dbraw/zinc/27/01/15/539270115.db2.gz AHCSGOGPHXEPAH-UHFFFAOYSA-N 0 3 253.411 2.388 20 30 CEEDHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC000336621267 365732306 /nfs/dbraw/zinc/73/23/06/365732306.db2.gz GUJJAMFEOJJOIY-ZDUSSCGKSA-N 0 3 291.782 2.378 20 30 CEEDHN CC(C#N)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000044814594 362155947 /nfs/dbraw/zinc/15/59/47/362155947.db2.gz LKHHSOSUWLXNQW-NSHDSACASA-N 0 3 277.755 2.148 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)c2cscc2C#N)C1 ZINC000351166962 219082832 /nfs/dbraw/zinc/08/28/32/219082832.db2.gz LMNSUHXWEBOPFU-UHFFFAOYSA-N 0 3 291.420 2.472 20 30 CEEDHN N#CC(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000046439628 362181854 /nfs/dbraw/zinc/18/18/54/362181854.db2.gz UJYCMHHZQDQZFU-GFCCVEGCSA-N 0 3 267.244 2.480 20 30 CEEDHN N#CC(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000046439649 362182030 /nfs/dbraw/zinc/18/20/30/362182030.db2.gz DVPLBTDOONGDHI-LBPRGKRZSA-N 0 3 267.244 2.480 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCCCCC1 ZINC000023220013 343381224 /nfs/dbraw/zinc/38/12/24/343381224.db2.gz WFDZLGZWHFGOMI-ZFWWWQNUSA-N 0 3 265.401 2.305 20 30 CEEDHN CCN(CC(=O)N[C@](C)(C#N)C1CC1)C1CCCCC1 ZINC000027285597 343392131 /nfs/dbraw/zinc/39/21/31/343392131.db2.gz FUNAQVHLTDDVCL-MRXNPFEDSA-N 0 3 277.412 2.449 20 30 CEEDHN C[C@H](CNC(=O)Nc1ccc(C#N)cc1)N1CCCC1 ZINC000027350736 343392698 /nfs/dbraw/zinc/39/26/98/343392698.db2.gz HGOVOZSCGGNDDV-GFCCVEGCSA-N 0 3 272.352 2.164 20 30 CEEDHN CCN1CCC(NC(=O)CCc2ccc(C#N)cc2)CC1 ZINC000029608208 343400953 /nfs/dbraw/zinc/40/09/53/343400953.db2.gz SPBLKOZMQSUUGV-UHFFFAOYSA-N 0 3 285.391 2.091 20 30 CEEDHN CC(C)[C@@H](C)N(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000030970073 343406295 /nfs/dbraw/zinc/40/62/95/343406295.db2.gz AMTODXGWBGIZGB-OCCSQVGLSA-N 0 3 253.390 2.017 20 30 CEEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)CC1CC1 ZINC000052128205 343556815 /nfs/dbraw/zinc/55/68/15/343556815.db2.gz BKDRSDASADAURC-UHFFFAOYSA-N 0 3 263.385 2.013 20 30 CEEDHN C=C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000128419122 365788087 /nfs/dbraw/zinc/78/80/87/365788087.db2.gz UNNKELUSBMKBBC-OAHLLOKOSA-N 0 3 287.407 2.478 20 30 CEEDHN C#CCN1CCC(C(=O)NCc2ccc(C)cc2C)CC1 ZINC000057155344 343625476 /nfs/dbraw/zinc/62/54/76/343625476.db2.gz WKJRMJCGZIIMCT-UHFFFAOYSA-N 0 3 284.403 2.265 20 30 CEEDHN N#CCCCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000057590743 343633719 /nfs/dbraw/zinc/63/37/19/343633719.db2.gz OPRMEUPTGTUMHS-UHFFFAOYSA-N 0 3 282.391 2.370 20 30 CEEDHN N#CCCCCN1CCN(CCOc2ccccc2)CC1 ZINC000057598740 343633796 /nfs/dbraw/zinc/63/37/96/343633796.db2.gz WZGJEXKOWXJRLL-UHFFFAOYSA-N 0 3 287.407 2.377 20 30 CEEDHN C[C@@H]1C[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065931177 343704335 /nfs/dbraw/zinc/70/43/35/343704335.db2.gz ZVEBBMTYRMHTDA-CZUORRHYSA-N 0 3 285.391 2.104 20 30 CEEDHN C#Cc1cccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000066158821 343708546 /nfs/dbraw/zinc/70/85/46/343708546.db2.gz QCYUSLLJDXKWSK-MRXNPFEDSA-N 0 3 283.375 2.370 20 30 CEEDHN C=CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000067704401 343742444 /nfs/dbraw/zinc/74/24/44/343742444.db2.gz RRWDEORFAYZHIJ-CQSZACIVSA-N 0 3 276.355 2.340 20 30 CEEDHN N#Cc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1 ZINC000066945595 343725955 /nfs/dbraw/zinc/72/59/55/343725955.db2.gz SQTPNLPKVVNLNO-INIZCTEOSA-N 0 3 283.375 2.259 20 30 CEEDHN C=CCOc1ccc(CN[C@H]2CC(=O)N(C)C2)cc1Cl ZINC000066991725 343728175 /nfs/dbraw/zinc/72/81/75/343728175.db2.gz BVOGAEIBGHMZCX-LBPRGKRZSA-N 0 3 294.782 2.225 20 30 CEEDHN CC(C)(C)C(=O)N1CCCN(CCCCC#N)CC1 ZINC000069607590 343789268 /nfs/dbraw/zinc/78/92/68/343789268.db2.gz VWLZRWGZWAYYRK-UHFFFAOYSA-N 0 3 265.401 2.261 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC2(C1)CCOCC2 ZINC000076178017 343884521 /nfs/dbraw/zinc/88/45/21/343884521.db2.gz UMSWISSOVZSMFX-OAHLLOKOSA-N 0 3 294.439 2.302 20 30 CEEDHN CN(C)c1ccc(CNCc2ccc(C#N)cc2)cn1 ZINC000048520212 362281512 /nfs/dbraw/zinc/28/15/12/362281512.db2.gz CMEXIODTWKCCEI-UHFFFAOYSA-N 0 3 266.348 2.309 20 30 CEEDHN COCCN(CCOc1ccccc1C#N)C1CC1 ZINC000048554344 362283508 /nfs/dbraw/zinc/28/35/08/362283508.db2.gz VRSIFZZFSJATHZ-UHFFFAOYSA-N 0 3 260.337 2.048 20 30 CEEDHN C[C@H](C[S@@](C)=O)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000273183412 192068191 /nfs/dbraw/zinc/06/81/91/192068191.db2.gz FJCWSTREBKULLC-CLFVBBPSSA-N 0 3 268.357 2.115 20 30 CEEDHN CN(Cc1cc(C#N)cs1)C[C@H]1CCC[C@@H]1O ZINC000091899930 344173911 /nfs/dbraw/zinc/17/39/11/344173911.db2.gz QVEXDYPGTRBQPS-YPMHNXCESA-N 0 3 250.367 2.213 20 30 CEEDHN N#CC1(C(=O)Nc2ccc3c(c2)CNCC3)CC2(CC2)C1 ZINC000602435098 347031526 /nfs/dbraw/zinc/03/15/26/347031526.db2.gz SWGNJFFPXMPTMO-UHFFFAOYSA-N 0 3 281.359 2.355 20 30 CEEDHN COC(=O)C(C)(C)[C@H]1CCCN(CCCC#N)C1 ZINC000093281088 344218315 /nfs/dbraw/zinc/21/83/15/344218315.db2.gz GKEYFGQYLOZQHB-LBPRGKRZSA-N 0 3 252.358 2.201 20 30 CEEDHN C=CCOc1ccccc1CN(C)C[C@@H](C)C(=O)NC ZINC000093899100 344232431 /nfs/dbraw/zinc/23/24/31/344232431.db2.gz CDLHRJAONFULMD-CYBMUJFWSA-N 0 3 276.380 2.065 20 30 CEEDHN N#CCCCOc1cccc(CN2CCC[C@@H]2CO)c1 ZINC000092470822 344191340 /nfs/dbraw/zinc/19/13/40/344191340.db2.gz IITSLOBVMMEINM-OAHLLOKOSA-N 0 3 274.364 2.326 20 30 CEEDHN C[C@@H](CCC#N)CN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000602451352 347038358 /nfs/dbraw/zinc/03/83/58/347038358.db2.gz GAVSRFZNBRFEFS-GOEBONIOSA-N 0 3 285.391 2.489 20 30 CEEDHN CCc1nnc(N[C@H]2CCCN(CC)C2)c(C#N)c1CC ZINC000129815235 344347093 /nfs/dbraw/zinc/34/70/93/344347093.db2.gz KWDJYEPZZXEJEB-LBPRGKRZSA-N 0 3 287.411 2.369 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000122573424 344307065 /nfs/dbraw/zinc/30/70/65/344307065.db2.gz XFGSDPZPMGZMDO-ZDUSSCGKSA-N 0 3 291.782 2.426 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCC[C@H]2C1 ZINC000152650568 344427008 /nfs/dbraw/zinc/42/70/08/344427008.db2.gz NUBHSDPRUFMGBY-KBPBESRZSA-N 0 3 250.386 2.143 20 30 CEEDHN C=CCCOCC(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000138616944 344390865 /nfs/dbraw/zinc/39/08/65/344390865.db2.gz CEPZSBPOAKCTGT-UHFFFAOYSA-N 0 3 292.379 2.158 20 30 CEEDHN Cc1ccc(CNCCOc2ccc(C#N)cc2)cn1 ZINC000156070358 344441198 /nfs/dbraw/zinc/44/11/98/344441198.db2.gz ZCPCYBKLVZWIEV-UHFFFAOYSA-N 0 3 267.332 2.430 20 30 CEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CC=CCC2)c1 ZINC000163103054 344470166 /nfs/dbraw/zinc/47/01/66/344470166.db2.gz SMQWXVRKZCZWKV-CQSZACIVSA-N 0 3 290.388 2.030 20 30 CEEDHN N#Cc1cccc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)n1 ZINC000602484159 347054784 /nfs/dbraw/zinc/05/47/84/347054784.db2.gz HWZMIWWYXXABMM-KSSFIOAISA-N 0 3 296.418 2.402 20 30 CEEDHN CC(C)(C#N)CCCCN(CC(N)=O)C1CCCC1 ZINC000232526603 344577722 /nfs/dbraw/zinc/57/77/22/344577722.db2.gz RORXWFYUSWRQBL-UHFFFAOYSA-N 0 3 265.401 2.436 20 30 CEEDHN CCN(CCCCC(C)(C)C#N)CC(=O)N(C)C ZINC000233443091 344581590 /nfs/dbraw/zinc/58/15/90/344581590.db2.gz BCZBPEQVVFJFJR-UHFFFAOYSA-N 0 3 253.390 2.117 20 30 CEEDHN CN(C)[C@H](CNCc1cccc(C#N)n1)c1cccc(F)c1 ZINC000602505890 347060401 /nfs/dbraw/zinc/06/04/01/347060401.db2.gz WPMIVTJDWGZKKQ-QGZVFWFLSA-N 0 3 298.365 2.485 20 30 CEEDHN COc1cccc([C@@H](CNc2ccnc(C#N)n2)N(C)C)c1 ZINC000320206593 344751843 /nfs/dbraw/zinc/75/18/43/344751843.db2.gz RHPOLZJQVRCFAN-CQSZACIVSA-N 0 3 297.362 2.072 20 30 CEEDHN CCN[C@H](C)C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000602522732 347066132 /nfs/dbraw/zinc/06/61/32/347066132.db2.gz XFLZJLPQPUVUHT-GFCCVEGCSA-N 0 3 271.364 2.052 20 30 CEEDHN CN(C)Cc1cc(CNCc2cccc(C#N)n2)ccc1F ZINC000602547763 347072576 /nfs/dbraw/zinc/07/25/76/347072576.db2.gz OIQOBIYUWMYVPK-UHFFFAOYSA-N 0 3 298.365 2.444 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCC[C@H]1CC=CCC1 ZINC000602543215 347070972 /nfs/dbraw/zinc/07/09/72/347070972.db2.gz AKNMNEIZQWRUGS-UONOGXRCSA-N 0 3 263.385 2.260 20 30 CEEDHN Cc1nn(C)c(C)c1C[C@H](C)NCc1cccc(C#N)n1 ZINC000602560676 347077660 /nfs/dbraw/zinc/07/76/60/347077660.db2.gz KBRGJVDUXWBAGP-NSHDSACASA-N 0 3 283.379 2.024 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000602559181 347076711 /nfs/dbraw/zinc/07/67/11/347076711.db2.gz USLJRGCFWKVWGE-YNEHKIRRSA-N 0 3 277.393 2.131 20 30 CEEDHN C[C@@H](Cc1ccncc1)NCc1cccc(C#N)n1 ZINC000602564184 347079299 /nfs/dbraw/zinc/07/92/99/347079299.db2.gz QCZCNMGUTAGTSP-LBPRGKRZSA-N 0 3 252.321 2.069 20 30 CEEDHN C=C(C)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017519 344817037 /nfs/dbraw/zinc/81/70/37/344817037.db2.gz IBTCVTKEPHXDJQ-NSHDSACASA-N 0 3 250.302 2.004 20 30 CEEDHN N#CCCCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000404177123 344878486 /nfs/dbraw/zinc/87/84/86/344878486.db2.gz HORSBGJLBQTFJG-QZTJIDSGSA-N 0 3 299.418 2.265 20 30 CEEDHN C=CCOc1cccc(NC(=O)N2CCCNCC2)c1 ZINC000415011712 344891956 /nfs/dbraw/zinc/89/19/56/344891956.db2.gz HZJSALUQIYGNRW-UHFFFAOYSA-N 0 3 275.352 2.079 20 30 CEEDHN N#CCCCCCC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000588354062 345047257 /nfs/dbraw/zinc/04/72/57/345047257.db2.gz PJPRLGWHELDYOV-AWEZNQCLSA-N 0 3 263.385 2.061 20 30 CEEDHN CN(C(=O)CCCCCC#N)C1CCN(C)CC1 ZINC000588750949 345053664 /nfs/dbraw/zinc/05/36/64/345053664.db2.gz NNKHWPXNTVWROJ-UHFFFAOYSA-N 0 3 251.374 2.013 20 30 CEEDHN CN(C(=O)CCCCCC#N)[C@@H]1CCN(C2CC2)C1 ZINC000588648343 345049344 /nfs/dbraw/zinc/04/93/44/345049344.db2.gz JJAAZBBFQQRGAP-CQSZACIVSA-N 0 3 263.385 2.156 20 30 CEEDHN CN(C)C1(CNC(=O)CCCCCC#N)CCC1 ZINC000588702097 345052684 /nfs/dbraw/zinc/05/26/84/345052684.db2.gz NTYGDWPJTDJJTO-UHFFFAOYSA-N 0 3 251.374 2.061 20 30 CEEDHN C[C@@H](C#N)CN[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000054180505 362517424 /nfs/dbraw/zinc/51/74/24/362517424.db2.gz GMJLSUSSWOBMBL-GOEBONIOSA-N 0 3 257.381 2.400 20 30 CEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)CCCCCC#N)C1 ZINC000588756560 345054361 /nfs/dbraw/zinc/05/43/61/345054361.db2.gz XXLLKJQFJCASNB-LSDHHAIUSA-N 0 3 277.412 2.403 20 30 CEEDHN CCNC(=O)[C@@H](NCc1ccc(C#N)cc1C)C(C)C ZINC000590187219 345121005 /nfs/dbraw/zinc/12/10/05/345121005.db2.gz HMWQQMDKHAFJCC-HNNXBMFYSA-N 0 3 273.380 2.117 20 30 CEEDHN CN1C[C@H]2[C@@H](CCN2C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000590046656 345111244 /nfs/dbraw/zinc/11/12/44/345111244.db2.gz MBCBLXGSXRYNOR-ULQDDVLXSA-N 0 3 297.402 2.236 20 30 CEEDHN CO[C@@]1(C)C[C@@H](NCc2ccnc(C#N)c2)C1(C)C ZINC000590756376 345175079 /nfs/dbraw/zinc/17/50/79/345175079.db2.gz KHKIFEBORMTPGS-HIFRSBDPSA-N 0 3 259.353 2.246 20 30 CEEDHN CCO[C@@H]1COC[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000590780086 345180179 /nfs/dbraw/zinc/18/01/79/345180179.db2.gz DRLWDPPSDFLNNP-BRWVUGGUSA-N 0 3 286.375 2.329 20 30 CEEDHN CCN1C[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)CC1=O ZINC000590779358 345180190 /nfs/dbraw/zinc/18/01/90/345180190.db2.gz YZVWNWGGSUJOJW-HOCLYGCPSA-N 0 3 283.375 2.146 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N[C@H]2CCCN(C)C2)c1 ZINC000590859068 345190880 /nfs/dbraw/zinc/19/08/80/345190880.db2.gz VFHRSAJKDFKCLA-ZDUSSCGKSA-N 0 3 272.352 2.082 20 30 CEEDHN N#Cc1ccc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)s1 ZINC000590381815 345132431 /nfs/dbraw/zinc/13/24/31/345132431.db2.gz ITKMUWZSEACZRT-HUUCEWRRSA-N 0 3 292.404 2.029 20 30 CEEDHN CC(C)NC(=O)[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000591257245 345234968 /nfs/dbraw/zinc/23/49/68/345234968.db2.gz KAWKIIYWEUVYSD-LRDDRELGSA-N 0 3 285.391 2.438 20 30 CEEDHN C[C@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)c1cccc(C#N)c1 ZINC000591354352 345242997 /nfs/dbraw/zinc/24/29/97/345242997.db2.gz IABYNHSIGMEODD-UPJWGTAASA-N 0 3 286.379 2.011 20 30 CEEDHN Cc1c(Cl)cnc(N2C[C@@H](C)NC[C@H]2C)c1C#N ZINC000591433940 345252350 /nfs/dbraw/zinc/25/23/50/345252350.db2.gz RARZOPBKVIZLCT-RKDXNWHRSA-N 0 3 264.760 2.102 20 30 CEEDHN C[C@@H](NC(=O)NC(C)(C)CN(C)C)c1cccc(C#N)c1 ZINC000590927569 345200935 /nfs/dbraw/zinc/20/09/35/345200935.db2.gz IWLLJOXLUUURAK-GFCCVEGCSA-N 0 3 288.395 2.259 20 30 CEEDHN CC(=O)N[C@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000591475823 345260433 /nfs/dbraw/zinc/26/04/33/345260433.db2.gz BIXGQRDBTPBQRE-INIZCTEOSA-N 0 3 285.391 2.198 20 30 CEEDHN CC[C@@H](NC(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000591610395 345269649 /nfs/dbraw/zinc/26/96/49/345269649.db2.gz DGHLOUXEHVFQCG-ZIAGYGMSSA-N 0 3 265.401 2.483 20 30 CEEDHN CCOC(=O)C1CCC(NC[C@@H](C#N)CCC#N)CC1 ZINC000591727538 345276098 /nfs/dbraw/zinc/27/60/98/345276098.db2.gz HKPYABLBACMGAT-IYXRBSQSSA-N 0 3 277.368 2.141 20 30 CEEDHN N#CCC[C@@H](C#N)CN[C@H]1CCc2cc(O)ccc2C1 ZINC000591763556 345278320 /nfs/dbraw/zinc/27/83/20/345278320.db2.gz DUJKWTXUOGVUSI-WFASDCNBSA-N 0 3 269.348 2.283 20 30 CEEDHN C[C@@H]1SCC[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000592733996 345389051 /nfs/dbraw/zinc/38/90/51/345389051.db2.gz DKEUHIFENYOIES-NILFDRSVSA-N 0 3 299.399 2.251 20 30 CEEDHN CC(C)(CN1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592521698 345364562 /nfs/dbraw/zinc/36/45/62/345364562.db2.gz ASUJQDJAZYGPEH-MRXNPFEDSA-N 0 3 258.365 2.315 20 30 CEEDHN CCCN(Cc1cnc2ccc(C#N)cn12)[C@H]1CCN(C)C1 ZINC000592520688 345364659 /nfs/dbraw/zinc/36/46/59/345364659.db2.gz OMKNERYNWYZWPP-HNNXBMFYSA-N 0 3 297.406 2.122 20 30 CEEDHN CN(CCC(C)(C)C)Cc1cnc2c(C#N)cnn2c1 ZINC000592524085 345366108 /nfs/dbraw/zinc/36/61/08/345366108.db2.gz VCUHCZDMUQZWNJ-UHFFFAOYSA-N 0 3 271.368 2.469 20 30 CEEDHN CCN1CCc2ccc(NC(=O)[C@@H](N)CCCC#N)cc21 ZINC000592123118 345325791 /nfs/dbraw/zinc/32/57/91/345325791.db2.gz WBUGUTKFGCKGCY-AWEZNQCLSA-N 0 3 286.379 2.029 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)CCC(C)(C)C ZINC000592145425 345328695 /nfs/dbraw/zinc/32/86/95/345328695.db2.gz ZJYHZFDQUXHAKZ-OAHLLOKOSA-N 0 3 267.417 2.409 20 30 CEEDHN N#CC[C@]1(O)CCN(CCCCc2ccccc2)C1 ZINC000592152557 345330784 /nfs/dbraw/zinc/33/07/84/345330784.db2.gz ZVXAYKPHVCNSLI-INIZCTEOSA-N 0 3 258.365 2.360 20 30 CEEDHN N#CC[C@]1(O)CCN(CC2CCC(F)(F)CC2)C1 ZINC000592154938 345331638 /nfs/dbraw/zinc/33/16/38/345331638.db2.gz WQEOEWBRFMDSKQ-LBPRGKRZSA-N 0 3 258.312 2.162 20 30 CEEDHN N#CC[C@@]1(O)CCN(CCc2ccc(Cl)cc2)C1 ZINC000592153166 345331739 /nfs/dbraw/zinc/33/17/39/345331739.db2.gz JZNACDIILUZDIY-CQSZACIVSA-N 0 3 264.756 2.233 20 30 CEEDHN CCCC(=O)NC1CCN([C@H](C)CCC#N)CC1 ZINC000592998475 345420447 /nfs/dbraw/zinc/42/04/47/345420447.db2.gz AGXCGAWPDFDARQ-GFCCVEGCSA-N 0 3 251.374 2.059 20 30 CEEDHN N#Cc1ccsc1NC(=O)CNC1(C2CCC2)CC1 ZINC000593079839 345434638 /nfs/dbraw/zinc/43/46/38/345434638.db2.gz HKBCAKOAOONRCE-UHFFFAOYSA-N 0 3 275.377 2.481 20 30 CEEDHN C[C@@H](CO)C1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000593085961 345436209 /nfs/dbraw/zinc/43/62/09/345436209.db2.gz YZCCOCFKVZGDSA-AWEZNQCLSA-N 0 3 288.391 2.277 20 30 CEEDHN CCCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCN(C)C1 ZINC000592828358 345401131 /nfs/dbraw/zinc/40/11/31/345401131.db2.gz HPWFYCQDWXKGFJ-CQSZACIVSA-N 0 3 289.354 2.254 20 30 CEEDHN CC[C@H](C#N)C(=O)Nc1ccnn1C1CCN(CC)CC1 ZINC000593448979 345489068 /nfs/dbraw/zinc/48/90/68/345489068.db2.gz STNSIJOMQRQGIX-GFCCVEGCSA-N 0 3 289.383 2.028 20 30 CEEDHN CC[C@H](C#N)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000593481817 345494723 /nfs/dbraw/zinc/49/47/23/345494723.db2.gz SEWSZDQZEAJZLO-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN Cc1nc(N(C)CCN2CCCCC2)ccc1C#N ZINC000593516638 345502006 /nfs/dbraw/zinc/50/20/06/345502006.db2.gz PWGOJNGUZQCWFS-UHFFFAOYSA-N 0 3 258.369 2.184 20 30 CEEDHN C=CCSCCNC(=O)N(C)CCN1CCCCC1 ZINC000593330734 345467537 /nfs/dbraw/zinc/46/75/37/345467537.db2.gz NUBUPKYUWNGQMJ-UHFFFAOYSA-N 0 3 285.457 2.033 20 30 CEEDHN C[C@H](N[C@H](CO)CCF)c1ccc(C#N)c(F)c1 ZINC000593718535 345526406 /nfs/dbraw/zinc/52/64/06/345526406.db2.gz ILWDLCXYOGCCIJ-CABZTGNLSA-N 0 3 254.280 2.068 20 30 CEEDHN C[C@H](CNC(=O)CCCCC#N)N1CCCC[C@@H]1C ZINC000593964049 345557020 /nfs/dbraw/zinc/55/70/20/345557020.db2.gz XLFVCZADBIWCKV-UONOGXRCSA-N 0 3 265.401 2.449 20 30 CEEDHN Cn1cc([C@H]2CN(Cc3ccnc(C#N)c3)CC2(C)C)cn1 ZINC000593997466 345562604 /nfs/dbraw/zinc/56/26/04/345562604.db2.gz IYHBJCKENDUNFR-MRXNPFEDSA-N 0 3 295.390 2.312 20 30 CEEDHN CC[C@H](NCc1ccnc(C#N)c1)[C@H]1CCCCO1 ZINC000594040894 345571811 /nfs/dbraw/zinc/57/18/11/345571811.db2.gz HIOLYGKROLRFDD-LSDHHAIUSA-N 0 3 259.353 2.391 20 30 CEEDHN COC(=O)C1CCC(NCC2(C#N)CCCC2)CC1 ZINC000593654742 345517092 /nfs/dbraw/zinc/51/70/92/345517092.db2.gz MEUVXHQZYGKMSB-UHFFFAOYSA-N 0 3 264.369 2.392 20 30 CEEDHN N#CCc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000594194972 345595940 /nfs/dbraw/zinc/59/59/40/345595940.db2.gz BTAOTPLBVFAYJF-DLBZAZTESA-N 0 3 297.402 2.499 20 30 CEEDHN CC(C)(C#N)CC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594194969 345596042 /nfs/dbraw/zinc/59/60/42/345596042.db2.gz BSZVGNKVQZQCBE-OLZOCXBDSA-N 0 3 263.385 2.059 20 30 CEEDHN N#CCc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000594194974 345596796 /nfs/dbraw/zinc/59/67/96/345596796.db2.gz BTAOTPLBVFAYJF-IRXDYDNUSA-N 0 3 297.402 2.499 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594230065 345601173 /nfs/dbraw/zinc/60/11/73/345601173.db2.gz LPBUQFQIQFCOFJ-INIZCTEOSA-N 0 3 298.390 2.068 20 30 CEEDHN C[C@@H]1CN(CCCCNC(=O)CCCCC#N)C[C@@H](C)O1 ZINC000594317192 345611978 /nfs/dbraw/zinc/61/19/78/345611978.db2.gz YOOLWIVXXIBWQM-HUUCEWRRSA-N 0 3 295.427 2.076 20 30 CEEDHN CS[C@H]1CN(C(=O)CCCCC#N)C[C@@H]1N1CCCC1 ZINC000594340158 345614106 /nfs/dbraw/zinc/61/41/06/345614106.db2.gz ZRZLWPBAZATOQY-KBPBESRZSA-N 0 3 295.452 2.109 20 30 CEEDHN Cc1ccc([C@H](NC(=O)C(C)C#N)C(F)(F)F)o1 ZINC000594405128 345622668 /nfs/dbraw/zinc/62/26/68/345622668.db2.gz YTMVLLFCGKKBPV-MUWHJKNJSA-N 0 3 260.215 2.467 20 30 CEEDHN Cc1cc([C@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)on1 ZINC000594424665 345625588 /nfs/dbraw/zinc/62/55/88/345625588.db2.gz HSOCAEHKNXZCCS-QWHCGFSZSA-N 0 3 290.367 2.058 20 30 CEEDHN Cc1cc(F)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594424880 345625876 /nfs/dbraw/zinc/62/58/76/345625876.db2.gz DIQLNDURTUJHLC-GFCCVEGCSA-N 0 3 263.316 2.484 20 30 CEEDHN CN(Cc1cccs1)C(=O)[C@@H](N)CCCCC#N ZINC000594426360 345626657 /nfs/dbraw/zinc/62/66/57/345626657.db2.gz QRSAXJGPNRLLDW-LBPRGKRZSA-N 0 3 265.382 2.118 20 30 CEEDHN Cc1cccc2c1CCN2C(=O)[C@@H](N)CCCCC#N ZINC000594432006 345628327 /nfs/dbraw/zinc/62/83/27/345628327.db2.gz UYAOQGGMYKGKDR-AWEZNQCLSA-N 0 3 271.364 2.295 20 30 CEEDHN CSc1ccc(CNC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594431044 345628815 /nfs/dbraw/zinc/62/88/15/345628815.db2.gz GORFYABSGAXXGT-AWEZNQCLSA-N 0 3 291.420 2.436 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC1CC(c2ccccc2)C1 ZINC000594433147 345629148 /nfs/dbraw/zinc/62/91/48/345629148.db2.gz CKJYNZJXBPGFFD-GPANFISMSA-N 0 3 285.391 2.460 20 30 CEEDHN CC(C)[C@@H](C)N(C(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000594437315 345630512 /nfs/dbraw/zinc/63/05/12/345630512.db2.gz VKPMWKXAMLXFAJ-TZMCWYRMSA-N 0 3 265.401 2.433 20 30 CEEDHN CCc1ccc(O)c(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594438814 345630824 /nfs/dbraw/zinc/63/08/24/345630824.db2.gz XEYFUZAVNLENGC-LBPRGKRZSA-N 0 3 275.352 2.304 20 30 CEEDHN CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H](N)CCCCC#N ZINC000594443876 345631963 /nfs/dbraw/zinc/63/19/63/345631963.db2.gz WIQKYYLBFWJEKU-XQQFMLRXSA-N 0 3 251.374 2.187 20 30 CEEDHN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594445281 345632519 /nfs/dbraw/zinc/63/25/19/345632519.db2.gz CQAYJTDOACZOHM-FRRDWIJNSA-N 0 3 283.441 2.188 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCc2cccc(F)c21 ZINC000594444633 345632525 /nfs/dbraw/zinc/63/25/25/345632525.db2.gz AKXJZKDFWYGVMX-CYBMUJFWSA-N 0 3 275.327 2.126 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000594449326 345633882 /nfs/dbraw/zinc/63/38/82/345633882.db2.gz GNYXWFAJEDLFRG-RRFJBIMHSA-N 0 3 277.412 2.483 20 30 CEEDHN Cc1ccc([C@@H]2C[C@H]2NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594449309 345634157 /nfs/dbraw/zinc/63/41/57/345634157.db2.gz GIIQYPHLPYYQOZ-HRCADAONSA-N 0 3 285.391 2.378 20 30 CEEDHN Cc1cc(N[C@H]2CCCN3CCCC[C@H]23)c(C#N)cn1 ZINC000594604361 345658429 /nfs/dbraw/zinc/65/84/29/345658429.db2.gz YPVCCHRHRBMWSS-GOEBONIOSA-N 0 3 270.380 2.112 20 30 CEEDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2ccc(C#N)s2)C1 ZINC000594962041 345717977 /nfs/dbraw/zinc/71/79/77/345717977.db2.gz DASFPJOPXLWJTF-LALPHHSUSA-N 0 3 294.420 2.275 20 30 CEEDHN C[C@]1(CNCc2cnc3ccc(C#N)cn23)CC1(F)F ZINC000594983655 345721359 /nfs/dbraw/zinc/72/13/59/345721359.db2.gz HOBWEVBOCHNDMS-CYBMUJFWSA-N 0 3 276.290 2.341 20 30 CEEDHN C[C@H](CNC(=O)N1CC[C@](C)(C#N)C1)N1CCC(C)CC1 ZINC000595547081 345809150 /nfs/dbraw/zinc/80/91/50/345809150.db2.gz LVWRUANDQYOAJT-GDBMZVCRSA-N 0 3 292.427 2.052 20 30 CEEDHN N#Cc1ccc(CCN2CCN(c3ccncc3)CC2)cc1 ZINC000595348334 345766414 /nfs/dbraw/zinc/76/64/14/345766414.db2.gz RMYVXWMGOKYYAE-UHFFFAOYSA-N 0 3 292.386 2.318 20 30 CEEDHN CC(C)[C@H](N[C@H](C)CCC#N)[C@H](O)C(F)(F)F ZINC000595481898 345793431 /nfs/dbraw/zinc/79/34/31/345793431.db2.gz KOPJDUHVYOOCSS-UTLUCORTSA-N 0 3 252.280 2.216 20 30 CEEDHN C[C@@H](CO)[C@H]1CCCCN1CCOc1ccccc1C#N ZINC000595677607 345845900 /nfs/dbraw/zinc/84/59/00/345845900.db2.gz PJMMOMCIZZIMOO-GOEBONIOSA-N 0 3 288.391 2.420 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)C1 ZINC000595699688 345853299 /nfs/dbraw/zinc/85/32/99/345853299.db2.gz VQSJFSOAKYHLNH-BBRMVZONSA-N 0 3 292.427 2.194 20 30 CEEDHN CC(C)(C)N1CC[C@@H](NC(=O)N2CCC[C@@H](CC#N)C2)C1 ZINC000595706246 345855481 /nfs/dbraw/zinc/85/54/81/345855481.db2.gz XWBHRYLRKDURHE-UONOGXRCSA-N 0 3 292.427 2.194 20 30 CEEDHN COC[C@@H](CNC(C)(C)c1cccc(C#N)c1)OC ZINC000595633429 345833253 /nfs/dbraw/zinc/83/32/53/345833253.db2.gz RJQJFDBWYJOBOD-CQSZACIVSA-N 0 3 262.353 2.044 20 30 CEEDHN C=CCN(CC(=O)N(CC)C[C@H](C)C#N)C(C)(C)C ZINC000595766088 345870828 /nfs/dbraw/zinc/87/08/28/345870828.db2.gz RSGVDCKDGOLZNW-CYBMUJFWSA-N 0 3 265.401 2.281 20 30 CEEDHN CO[C@H](C)CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000595769841 345871738 /nfs/dbraw/zinc/87/17/38/345871738.db2.gz UFVDLMVDOXIYHT-CYBMUJFWSA-N 0 3 274.364 2.188 20 30 CEEDHN Cn1cc(C[C@@H]2CCC[C@H]2NC[C@@H](C#N)CCC#N)cn1 ZINC000595768593 345871986 /nfs/dbraw/zinc/87/19/86/345871986.db2.gz IOVSOSRWNKBPLR-VNQPRFMTSA-N 0 3 285.395 2.164 20 30 CEEDHN C[C@@H]1CCN(CCOc2ccccc2C#N)C[C@H](C)O1 ZINC000595781919 345875336 /nfs/dbraw/zinc/87/53/36/345875336.db2.gz WDBCUGBCLZKVGA-KGLIPLIRSA-N 0 3 274.364 2.436 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)n1 ZINC000602581904 347087992 /nfs/dbraw/zinc/08/79/92/347087992.db2.gz UBDVEEHMGFUFJL-RBSFLKMASA-N 0 3 269.348 2.000 20 30 CEEDHN CC(C)c1cccc(CNCCn2cnc(C#N)n2)c1 ZINC000596053206 345928841 /nfs/dbraw/zinc/92/88/41/345928841.db2.gz BNPRCEJWKFVMFP-UHFFFAOYSA-N 0 3 269.352 2.063 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595875538 345903647 /nfs/dbraw/zinc/90/36/47/345903647.db2.gz QNEUQKNZXUPHPO-MLGOLLRUSA-N 0 3 274.364 2.017 20 30 CEEDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CC1(C#N)CCCCC1 ZINC000595932402 345914704 /nfs/dbraw/zinc/91/47/04/345914704.db2.gz OHGYRDQTUGJETQ-QWHCGFSZSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@H]1NCCN(C(=O)CC2(C#N)CCCCC2)[C@H]1C ZINC000595948755 345917397 /nfs/dbraw/zinc/91/73/97/345917397.db2.gz AYISYKREMTXWKM-OLZOCXBDSA-N 0 3 263.385 2.059 20 30 CEEDHN CCN1CCN(CCNc2ccc(Cl)cc2C#N)CC1 ZINC000596073000 345933565 /nfs/dbraw/zinc/93/35/65/345933565.db2.gz BPLQWTFBCFHNOE-UHFFFAOYSA-N 0 3 292.814 2.261 20 30 CEEDHN N#Cc1cc(Cl)ccc1NCCCN1CCC(O)CC1 ZINC000596085893 345936488 /nfs/dbraw/zinc/93/64/88/345936488.db2.gz NHBGWNRYJCZTLR-UHFFFAOYSA-N 0 3 293.798 2.470 20 30 CEEDHN Cc1cc(N[C@@H]2CCN(C3CC3)C2)cc(C#N)c1[N+](=O)[O-] ZINC000596091342 345937611 /nfs/dbraw/zinc/93/76/11/345937611.db2.gz IIMPVGFYTSNIMI-GFCCVEGCSA-N 0 3 286.335 2.424 20 30 CEEDHN Cc1nn(C)c(C)c1CCCNCc1cccc(C#N)n1 ZINC000602583367 347088802 /nfs/dbraw/zinc/08/88/02/347088802.db2.gz QWDYEWQXDYLLFD-UHFFFAOYSA-N 0 3 283.379 2.026 20 30 CEEDHN Cc1ccc(C#N)nc1N(C)C[C@@H]1CCCN(C)C1 ZINC000596128382 345946196 /nfs/dbraw/zinc/94/61/96/345946196.db2.gz GURVJQYEFFLBKQ-CYBMUJFWSA-N 0 3 258.369 2.040 20 30 CEEDHN CCc1nc(C#N)cc(N(CCN(C)C)C2CCCC2)n1 ZINC000596228043 345975095 /nfs/dbraw/zinc/97/50/95/345975095.db2.gz WHAJKZKTIWVFLP-UHFFFAOYSA-N 0 3 287.411 2.221 20 30 CEEDHN CCCN(CCN1CCCCCC1)c1cc(C#N)cnn1 ZINC000596235211 345976354 /nfs/dbraw/zinc/97/63/54/345976354.db2.gz UIAOUZMYFDKWGZ-UHFFFAOYSA-N 0 3 287.411 2.441 20 30 CEEDHN CN1CCN(c2ncccc2C#N)CC12CCCCC2 ZINC000596249979 345980661 /nfs/dbraw/zinc/98/06/61/345980661.db2.gz DUQXWVJSDNXSTM-UHFFFAOYSA-N 0 3 270.380 2.408 20 30 CEEDHN N#Cc1ccc(NC[C@H]2CCN2Cc2ccccc2)nc1 ZINC000596552067 346053273 /nfs/dbraw/zinc/05/32/73/346053273.db2.gz KQSLCFHIKOFPBD-MRXNPFEDSA-N 0 3 278.359 2.062 20 30 CEEDHN Cc1cccc2c1ncc(C#N)c2N(C)CC1CN(C)C1 ZINC000596454302 346027947 /nfs/dbraw/zinc/02/79/47/346027947.db2.gz SPDKTBWSLUSZPC-UHFFFAOYSA-N 0 3 280.375 2.413 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)NCC1(C#N)CCCCC1 ZINC000596859104 346097154 /nfs/dbraw/zinc/09/71/54/346097154.db2.gz FVSNTZXCAFUHBQ-AWEZNQCLSA-N 0 3 292.427 2.196 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@]34C[C@H]3CCC4)n2c1 ZINC000597176019 346141512 /nfs/dbraw/zinc/14/15/12/346141512.db2.gz CMIQKQCEUVYIJP-IUODEOHRSA-N 0 3 252.321 2.238 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(C)c(C(=O)OC)o1 ZINC000597119669 346130936 /nfs/dbraw/zinc/13/09/36/346130936.db2.gz TUXIGOMIZMYWMD-JSGCOSHPSA-N 0 3 293.363 2.445 20 30 CEEDHN CN(CCN1CCCC1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597136165 346133469 /nfs/dbraw/zinc/13/34/69/346133469.db2.gz VJUDGDFBHLSJLC-UHFFFAOYSA-N 0 3 293.317 2.004 20 30 CEEDHN COc1cc(CN2C[C@H]3COC[C@@]3(C)C2)ccc1C#N ZINC000597210507 346149368 /nfs/dbraw/zinc/14/93/68/346149368.db2.gz HSWDLBBMNHCBHR-GOEBONIOSA-N 0 3 272.348 2.035 20 30 CEEDHN C[C@@H](CC#N)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000597389480 346180000 /nfs/dbraw/zinc/18/00/00/346180000.db2.gz JRRIBIJDJLILFW-GOEBONIOSA-N 0 3 285.391 2.269 20 30 CEEDHN CC(C#N)C(=O)N1CCCN(c2cccc(F)c2F)CC1 ZINC000597711154 346219275 /nfs/dbraw/zinc/21/92/75/346219275.db2.gz GAPTWZNTWVVSPO-NSHDSACASA-N 0 3 293.317 2.163 20 30 CEEDHN CC(C#N)C(=O)N1CCCN(c2cccc(F)c2F)CC1 ZINC000597711153 346219285 /nfs/dbraw/zinc/21/92/85/346219285.db2.gz GAPTWZNTWVVSPO-LLVKDONJSA-N 0 3 293.317 2.163 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Cc1cccc(C#N)c1 ZINC000597857308 346239095 /nfs/dbraw/zinc/23/90/95/346239095.db2.gz CVSYCJCJSPNYRR-OAHLLOKOSA-N 0 3 285.391 2.090 20 30 CEEDHN CC[C@H](C(=O)N1CCC[C@H](CC#N)C1)N(CC)CC ZINC000597910303 346251111 /nfs/dbraw/zinc/25/11/11/346251111.db2.gz YMMNPFQNIZGTDL-ZIAGYGMSSA-N 0 3 265.401 2.259 20 30 CEEDHN C[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)N1[C@H](C)CC[C@@H]1C ZINC000597913092 346252301 /nfs/dbraw/zinc/25/23/01/346252301.db2.gz YOEOJIUTOGJFHB-XGUBFFRZSA-N 0 3 277.412 2.400 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)[C@@H](N)CCSC ZINC000602585954 347089436 /nfs/dbraw/zinc/08/94/36/347089436.db2.gz LJCAAPKXQUDRGG-NSHDSACASA-N 0 3 258.431 2.175 20 30 CEEDHN CCN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CCN(CC)C1 ZINC000598043205 346274875 /nfs/dbraw/zinc/27/48/75/346274875.db2.gz RXCRNKXADSJKMS-QGZVFWFLSA-N 0 3 299.418 2.434 20 30 CEEDHN N#Cc1ccccc1CN1CCCN(C2CC2)CC1 ZINC000061041163 362674659 /nfs/dbraw/zinc/67/46/59/362674659.db2.gz HQJUASBTXXSOPG-UHFFFAOYSA-N 0 3 255.365 2.228 20 30 CEEDHN CCN(C(=O)C1CN(C2CCCCC2)C1)[C@H](C)C#N ZINC000598349217 346333677 /nfs/dbraw/zinc/33/36/77/346333677.db2.gz KBCUEEQZYXZIOM-GFCCVEGCSA-N 0 3 263.385 2.011 20 30 CEEDHN CN1CCC(CC(=O)NCC2(C#N)CCCCC2)CC1 ZINC000598311838 346323955 /nfs/dbraw/zinc/32/39/55/346323955.db2.gz SJQMRKWXDQKWSD-UHFFFAOYSA-N 0 3 277.412 2.309 20 30 CEEDHN Cc1cccc(CN(C)C[C@H](O)CC(C)(C)C#N)n1 ZINC000598597181 346381261 /nfs/dbraw/zinc/38/12/61/346381261.db2.gz XLSAXTPVJHWEJX-CQSZACIVSA-N 0 3 261.369 2.123 20 30 CEEDHN C[C@H](c1ccccn1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598601096 346381745 /nfs/dbraw/zinc/38/17/45/346381745.db2.gz ZDOGNSVDANDIIE-OLZOCXBDSA-N 0 3 261.369 2.375 20 30 CEEDHN C[C@H]1CN(C[C@@H](O)CC(C)(C)C#N)CCC1(F)F ZINC000598615499 346384074 /nfs/dbraw/zinc/38/40/74/346384074.db2.gz BVSHFMHDAILCER-QWRGUYRKSA-N 0 3 260.328 2.264 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1C[C@H](O)C[C@H]1c1ccccc1 ZINC000598621291 346385860 /nfs/dbraw/zinc/38/58/60/346385860.db2.gz JGVJHRCXZBOQJC-PMPSAXMXSA-N 0 3 288.391 2.095 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@H](c2cccnc2)C1 ZINC000598624691 346387086 /nfs/dbraw/zinc/38/70/86/346387086.db2.gz LIDHBCBQCFBMEY-LSDHHAIUSA-N 0 3 273.380 2.172 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN[C@H](CCO)c1ccccc1F ZINC000598626701 346387780 /nfs/dbraw/zinc/38/77/80/346387780.db2.gz ZQCJVMJGVMJLMV-IUODEOHRSA-N 0 3 294.370 2.140 20 30 CEEDHN C[C@@H]1Oc2ccccc2[C@H]1NC[C@@H](O)CC(C)(C)C#N ZINC000598726810 346409721 /nfs/dbraw/zinc/40/97/21/346409721.db2.gz CAVGGMYHDGWORT-HUBLWGQQSA-N 0 3 274.364 2.399 20 30 CEEDHN CC(C)Oc1cc(CNC[C@@H](O)CC(C)(C)C#N)ccn1 ZINC000598726124 346409897 /nfs/dbraw/zinc/40/98/97/346409897.db2.gz RLFFANNKNJHCLB-AWEZNQCLSA-N 0 3 291.395 2.259 20 30 CEEDHN Cc1cc(CN2CC[C@H](C)[C@H](CO)C2)ccc1C#N ZINC000598647530 346392207 /nfs/dbraw/zinc/39/22/07/346392207.db2.gz OIVLJLPIUMVZKC-LRDDRELGSA-N 0 3 258.365 2.317 20 30 CEEDHN CC1(C)CC[C@H](CO)N(CCOc2ccc(C#N)cc2)C1 ZINC000598648549 346393344 /nfs/dbraw/zinc/39/33/44/346393344.db2.gz PKYKOMAQJUTQCP-OAHLLOKOSA-N 0 3 288.391 2.420 20 30 CEEDHN C[C@H](O)[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1F ZINC000598729842 346410999 /nfs/dbraw/zinc/41/09/99/346410999.db2.gz NSHJFAWUAUIIES-SLEUVZQESA-N 0 3 294.370 2.138 20 30 CEEDHN C=C(CC)CNCc1cc(C(=O)OC)c(C)n1C ZINC000313494357 260298426 /nfs/dbraw/zinc/29/84/26/260298426.db2.gz HHWRQNCNEVXRGN-UHFFFAOYSA-N 0 3 250.342 2.176 20 30 CEEDHN CN(C(=O)c1cccc2c1CCNC2)[C@@H]1CCC[C@H]1C#N ZINC000602597304 347093944 /nfs/dbraw/zinc/09/39/44/347093944.db2.gz ASKDEOJVTXENBG-BLLLJJGKSA-N 0 3 283.375 2.097 20 30 CEEDHN CN(C(=O)c1cccc2c1CCNC2)[C@H]1CCC[C@@H]1C#N ZINC000602597308 347094206 /nfs/dbraw/zinc/09/42/06/347094206.db2.gz ASKDEOJVTXENBG-WBMJQRKESA-N 0 3 283.375 2.097 20 30 CEEDHN Cc1ccc(CN2CCC(CCC(N)=O)CC2)cc1C#N ZINC000599341374 346502795 /nfs/dbraw/zinc/50/27/95/346502795.db2.gz JBNLZXGHVGJMMV-UHFFFAOYSA-N 0 3 285.391 2.344 20 30 CEEDHN COc1cccc([C@H](C)NC[C@@H](O)CC2(C#N)CC2)c1 ZINC000599346732 346503595 /nfs/dbraw/zinc/50/35/95/346503595.db2.gz DGRSAQGSHGCRNL-JSGCOSHPSA-N 0 3 274.364 2.401 20 30 CEEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000599349103 346504393 /nfs/dbraw/zinc/50/43/93/346504393.db2.gz DEPNECWRPNLWSL-BXUZGUMPSA-N 0 3 289.335 2.300 20 30 CEEDHN COCC[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccco1 ZINC000599358785 346506349 /nfs/dbraw/zinc/50/63/49/346506349.db2.gz IENKHTGFPZFNJU-CHWSQXEVSA-N 0 3 278.352 2.002 20 30 CEEDHN C[C@@]1(NCc2cccc(C#N)n2)CCO[C@@H]1C1CC1 ZINC000602607177 347098571 /nfs/dbraw/zinc/09/85/71/347098571.db2.gz HUOKUBFJUFVSRN-HUUCEWRRSA-N 0 3 257.337 2.000 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(N2CCOCC2)CC1 ZINC000599474385 346525869 /nfs/dbraw/zinc/52/58/69/346525869.db2.gz QGUVEZRCNIFBMI-OAHLLOKOSA-N 0 3 299.418 2.416 20 30 CEEDHN Cc1ccc(CN2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1C#N ZINC000599471109 346525891 /nfs/dbraw/zinc/52/58/91/346525891.db2.gz XXDSCOLAFHKHSE-VIKVFOODSA-N 0 3 258.365 2.315 20 30 CEEDHN N#Cc1cccc(OCCN2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000599640784 346551803 /nfs/dbraw/zinc/55/18/03/346551803.db2.gz WZZRWGSRLQMASB-DOTOQJQBSA-N 0 3 286.375 2.031 20 30 CEEDHN CCOC(=O)c1cccc(CN[C@H]2CC[C@@H](CC#N)C2)n1 ZINC000600160749 346609806 /nfs/dbraw/zinc/60/98/06/346609806.db2.gz DSELCMFJNAIDCY-STQMWFEESA-N 0 3 287.363 2.430 20 30 CEEDHN C=CC(C)(C)CCNCc1cn(C)nc1C(=O)OCC ZINC000600184998 346617355 /nfs/dbraw/zinc/61/73/55/346617355.db2.gz PJPFCBGLAPKPCX-UHFFFAOYSA-N 0 3 279.384 2.289 20 30 CEEDHN N#CC1(CC(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000600228446 346627285 /nfs/dbraw/zinc/62/72/85/346627285.db2.gz AGCBMKXHRGEOTE-CQSZACIVSA-N 0 3 275.396 2.203 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccccc1CC#N ZINC000600996168 346728903 /nfs/dbraw/zinc/72/89/03/346728903.db2.gz WBXKIERPWYRGJH-AWEZNQCLSA-N 0 3 285.391 2.357 20 30 CEEDHN C[C@@H](C1CC1)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000600983265 346726076 /nfs/dbraw/zinc/72/60/76/346726076.db2.gz JHBPOMDWBZETEI-BLLLJJGKSA-N 0 3 281.359 2.497 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@@H]2CSc3ccccc32)CC1 ZINC000600722086 346678225 /nfs/dbraw/zinc/67/82/25/346678225.db2.gz FHCAPUCRUZMWEZ-WCQYABFASA-N 0 3 274.389 2.478 20 30 CEEDHN CN(C)CCOc1cccc(-c2cnn(CC#N)c2)c1 ZINC000600779056 346688535 /nfs/dbraw/zinc/68/85/35/346688535.db2.gz OLHGGQDPGUZMRV-UHFFFAOYSA-N 0 3 270.336 2.014 20 30 CEEDHN COc1ccc(-c2ccc(N3CCNCC3)nc2)cc1C#N ZINC000600787702 346689936 /nfs/dbraw/zinc/68/99/36/346689936.db2.gz CSGBDJJNCWPHIK-UHFFFAOYSA-N 0 3 294.358 2.038 20 30 CEEDHN N#CCc1ccccc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000601123575 346759924 /nfs/dbraw/zinc/75/99/24/346759924.db2.gz FCWKWVMDKWJTJA-MRXNPFEDSA-N 0 3 297.402 2.453 20 30 CEEDHN CC(C)(C)N1CCCN(C(=O)C2(C#N)CC3(CC3)C2)CC1 ZINC000601021094 346733526 /nfs/dbraw/zinc/73/35/26/346733526.db2.gz QQASBYRBGYIFTF-UHFFFAOYSA-N 0 3 289.423 2.403 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccccc1CC#N ZINC000601180501 346779069 /nfs/dbraw/zinc/77/90/69/346779069.db2.gz QDDWFVVMSTXNSJ-CQSZACIVSA-N 0 3 285.391 2.166 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCO[C@H](C3CC3)C2)n1 ZINC000602617050 347105246 /nfs/dbraw/zinc/10/52/46/347105246.db2.gz NOTOTJSEAAKIHR-DOMZBBRYSA-N 0 3 257.337 2.000 20 30 CEEDHN CCN(C[C@@H](O)C(F)(F)F)C[C@@H](C)CCC#N ZINC000602624239 347108419 /nfs/dbraw/zinc/10/84/19/347108419.db2.gz TUYINNXHLKHOCE-VHSXEESVSA-N 0 3 252.280 2.171 20 30 CEEDHN CC1(C)CCC[C@](O)(CNCc2cccc(C#N)n2)C1 ZINC000602628095 347110406 /nfs/dbraw/zinc/11/04/06/347110406.db2.gz HBPAGQLMJVMHIC-MRXNPFEDSA-N 0 3 273.380 2.374 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)Nc1cc(C#N)nc(C2CC2)n1 ZINC000601195620 346783711 /nfs/dbraw/zinc/78/37/11/346783711.db2.gz QZQHXCXXCIUHTQ-CYBMUJFWSA-N 0 3 299.422 2.180 20 30 CEEDHN CC1(C)CCCN(CCNCc2cccc(C#N)n2)C1 ZINC000602637107 347116955 /nfs/dbraw/zinc/11/69/55/347116955.db2.gz KBQFKDKQRLXPIQ-UHFFFAOYSA-N 0 3 272.396 2.165 20 30 CEEDHN CO[C@H](CN[C@H]1CCc2cc(C#N)ccc21)[C@H]1CCOC1 ZINC000602640225 347117852 /nfs/dbraw/zinc/11/78/52/347117852.db2.gz KYGFAOPXADETDZ-BHYGNILZSA-N 0 3 286.375 2.187 20 30 CEEDHN CCOC(=O)C1(COC)CCN(C[C@H](C)CCC#N)CC1 ZINC000602642848 347119839 /nfs/dbraw/zinc/11/98/39/347119839.db2.gz APSRXYXJMOQBBP-CQSZACIVSA-N 0 3 296.411 2.218 20 30 CEEDHN N#Cc1cccc(CNC[C@H](CO)C2CCCCC2)n1 ZINC000602674094 347136340 /nfs/dbraw/zinc/13/63/40/347136340.db2.gz CIERIHZQYRCYJS-CQSZACIVSA-N 0 3 273.380 2.232 20 30 CEEDHN C[C@H](CCC#N)CN1CCO[C@@]2(CCSC2)C1 ZINC000602698589 347154435 /nfs/dbraw/zinc/15/44/35/347154435.db2.gz DAVWBJXGLMEHFO-OLZOCXBDSA-N 0 3 254.399 2.134 20 30 CEEDHN C[C@H](CCC#N)CN1CCc2nnc(N3CCCC3)cc2C1 ZINC000602713814 347166562 /nfs/dbraw/zinc/16/65/62/347166562.db2.gz CTUSQWSCMXOOBS-CQSZACIVSA-N 0 3 299.422 2.375 20 30 CEEDHN COCc1nc(CNC[C@@H](C)CCC#N)cs1 ZINC000602665420 347131271 /nfs/dbraw/zinc/13/12/71/347131271.db2.gz BIMBFWJVKFCNDI-JTQLQIEISA-N 0 3 253.371 2.319 20 30 CEEDHN C[C@H]1OCC[C@H]1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000602827275 347215557 /nfs/dbraw/zinc/21/55/57/347215557.db2.gz XNTXLMOXGAMTSP-CABCVRRESA-N 0 3 285.391 2.364 20 30 CEEDHN C=CCN(CCC#N)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000602839672 347220186 /nfs/dbraw/zinc/22/01/86/347220186.db2.gz WPIUMMMPOULQCQ-SFHVURJKSA-N 0 3 299.418 2.025 20 30 CEEDHN C[C@@H]1CN(CCCC2CCOCC2)C[C@@H](C)N1CC#N ZINC000602853816 347226197 /nfs/dbraw/zinc/22/61/97/347226197.db2.gz LZJWAMQGEVBARB-HUUCEWRRSA-N 0 3 279.428 2.111 20 30 CEEDHN COc1ccc(CCN2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602857755 347227111 /nfs/dbraw/zinc/22/71/11/347227111.db2.gz USZQLOHPGXHTPB-GASCZTMLSA-N 0 3 287.407 2.156 20 30 CEEDHN CN1CCN(Cc2ccncc2C#N)C[C@@H]1C(C)(C)C ZINC000602874912 347235222 /nfs/dbraw/zinc/23/52/22/347235222.db2.gz VCVFRZNQXDLLLW-OAHLLOKOSA-N 0 3 272.396 2.115 20 30 CEEDHN C[C@H]1OCC[C@H]1CN1CCN(c2ccsc2C#N)CC1 ZINC000602883894 347238197 /nfs/dbraw/zinc/23/81/97/347238197.db2.gz NRIVGRWQMSOVNR-OLZOCXBDSA-N 0 3 291.420 2.167 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCn1c(C)ncc1[N+](=O)[O-] ZINC000602902051 347241912 /nfs/dbraw/zinc/24/19/12/347241912.db2.gz FHWJTTZBWVJDKF-BETUJISGSA-N 0 3 276.340 2.283 20 30 CEEDHN COC[C@@]1(C(=O)OC(C)(C)C)CCN([C@H](C)CCC#N)C1 ZINC000602962965 347258341 /nfs/dbraw/zinc/25/83/41/347258341.db2.gz YDNFDVVBGXJVMU-CZUORRHYSA-N 0 3 296.411 2.359 20 30 CEEDHN CC(C)N1CCN(CCCN(C)[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000602981017 347264174 /nfs/dbraw/zinc/26/41/74/347264174.db2.gz YQSRXFBGXJMZOE-IAGOWNOFSA-N 0 3 292.471 2.027 20 30 CEEDHN N#Cc1cc(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)ccn1 ZINC000602997428 347269732 /nfs/dbraw/zinc/26/97/32/347269732.db2.gz JREIZDAUBANRNG-JYJNAYRXSA-N 0 3 271.364 2.079 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](O)[C@H]3CCCC[C@H]32)nc1 ZINC000602997797 347270666 /nfs/dbraw/zinc/27/06/66/347270666.db2.gz QTCLHHMBTGMVRJ-XHSDSOJGSA-N 0 3 271.364 2.079 20 30 CEEDHN C[C@H](CN(C)CC(=O)NC1(C#N)CCC1)C(C)(C)C ZINC000603053777 347277299 /nfs/dbraw/zinc/27/72/99/347277299.db2.gz FDZWPPVFXRTESX-GFCCVEGCSA-N 0 3 265.401 2.163 20 30 CEEDHN CCC[C@@H](N)c1cn([C@H](C#N)c2ccccc2)nn1 ZINC000603220225 347312401 /nfs/dbraw/zinc/31/24/01/347312401.db2.gz FTRCOXWRXFJCQW-TZMCWYRMSA-N 0 3 255.325 2.191 20 30 CEEDHN CC(C)[C@@H](N)c1cn([C@H](C#N)c2ccccc2)nn1 ZINC000603222951 347314030 /nfs/dbraw/zinc/31/40/30/347314030.db2.gz WWIBZOQVAHLJMF-ZIAGYGMSSA-N 0 3 255.325 2.047 20 30 CEEDHN N#Cc1ccc(N2CCC(NCc3ncc[nH]3)CC2)cc1 ZINC000609006820 347624882 /nfs/dbraw/zinc/62/48/82/347624882.db2.gz YWQYBDWYHBXBJU-UHFFFAOYSA-N 0 3 281.363 2.040 20 30 CEEDHN C[C@@H]1C[C@H]1c1ccc(CNC2CCN(CC#N)CC2)o1 ZINC000609335049 347635518 /nfs/dbraw/zinc/63/55/18/347635518.db2.gz RBQLIFJEIYTNKA-IUODEOHRSA-N 0 3 273.380 2.481 20 30 CEEDHN N#CCN1CCC(NCc2ccccc2Cl)CC1 ZINC000609335001 347635619 /nfs/dbraw/zinc/63/56/19/347635619.db2.gz OSNROOYYGRAYAY-UHFFFAOYSA-N 0 3 263.772 2.418 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000609620215 347647158 /nfs/dbraw/zinc/64/71/58/347647158.db2.gz HXLQGDSJHIINAK-DGCLKSJQSA-N 0 3 286.331 2.281 20 30 CEEDHN CC(C)[C@H](C(=O)N[C@H](C)c1cccc(C#N)c1)N(C)C ZINC000610364886 347676017 /nfs/dbraw/zinc/67/60/17/347676017.db2.gz WFXWCWIXSQLZQL-IUODEOHRSA-N 0 3 273.380 2.322 20 30 CEEDHN COc1ccc([C@H](C)NC2CCN(CC#N)CC2)c(F)c1 ZINC000610813016 347715989 /nfs/dbraw/zinc/71/59/89/347715989.db2.gz VHIGGDUYTGPJBN-LBPRGKRZSA-N 0 3 291.370 2.473 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611383568 347771246 /nfs/dbraw/zinc/77/12/46/347771246.db2.gz YFZSMBASBBGSPB-GXFFZTMASA-N 0 3 250.298 2.182 20 30 CEEDHN C[C@@H](NCCOC[C@@H]1CCOC1)c1ccc(C#N)c(F)c1 ZINC000611465726 347781857 /nfs/dbraw/zinc/78/18/57/347781857.db2.gz GGWUAHAIBVCBHI-CHWSQXEVSA-N 0 3 292.354 2.401 20 30 CEEDHN C[C@H](NCc1ccn(C)c(=O)c1)c1cccc(C#N)c1 ZINC000611388507 347772579 /nfs/dbraw/zinc/77/25/79/347772579.db2.gz PKQLYDYMJRXJMO-LBPRGKRZSA-N 0 3 267.332 2.108 20 30 CEEDHN CN1C[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)CCC1=O ZINC000611393115 347772723 /nfs/dbraw/zinc/77/27/23/347772723.db2.gz JUYFARGOAIZWOS-HOCLYGCPSA-N 0 3 283.375 2.146 20 30 CEEDHN CCN(C)C(=O)CCN[C@H](C)c1cccc(C#N)c1 ZINC000611388956 347772787 /nfs/dbraw/zinc/77/27/87/347772787.db2.gz OEUPIHYDNWGNPX-GFCCVEGCSA-N 0 3 259.353 2.077 20 30 CEEDHN Cc1nc([C@@H](C)NC2CCN(CC#N)CC2)c(C)s1 ZINC000610946371 347723829 /nfs/dbraw/zinc/72/38/29/347723829.db2.gz HMNBMNBNKSAWGO-SNVBAGLBSA-N 0 3 278.425 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/nfs/dbraw/zinc/04/49/57/366044957.db2.gz PAJMNVPMKCHWSL-CABCVRRESA-N 0 3 280.412 2.054 20 30 CEEDHN C=CCN1CC[C@H](N2CCC(C(C)C)CC2)C1=O ZINC000337198217 366070119 /nfs/dbraw/zinc/07/01/19/366070119.db2.gz XXZDHKHYIPGPAR-AWEZNQCLSA-N 0 3 250.386 2.141 20 30 CEEDHN CO[C@@]1(CN[C@H](C)c2cccc(C#N)c2)CCOC1 ZINC000123140272 187073152 /nfs/dbraw/zinc/07/31/52/187073152.db2.gz IHKCAQBJDNQWKA-IUODEOHRSA-N 0 3 260.337 2.014 20 30 CEEDHN N#Cc1ccc(CNC(=O)[C@H](C2CC2)N2CCCC2)cc1 ZINC000124270278 187129167 /nfs/dbraw/zinc/12/91/67/187129167.db2.gz OPQJVZBLNDNOHV-INIZCTEOSA-N 0 3 283.375 2.049 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C#N)c2)CCN1C ZINC000123407423 187089872 /nfs/dbraw/zinc/08/98/72/187089872.db2.gz LNHHXVCRSQKPKM-DOMZBBRYSA-N 0 3 271.364 2.113 20 30 CEEDHN COC[C@@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000072558786 363145754 /nfs/dbraw/zinc/14/57/54/363145754.db2.gz ZDZUFZQNBGYWBM-OAHLLOKOSA-N 0 3 287.407 2.101 20 30 CEEDHN N#Cc1ccc(OCCNCc2ccncc2)cc1 ZINC000072939129 363183021 /nfs/dbraw/zinc/18/30/21/363183021.db2.gz NTFIEMBCHCCWFC-UHFFFAOYSA-N 0 3 253.305 2.122 20 30 CEEDHN C=CCN1CC[C@@H](N(CCO)C2CCC(CC)CC2)C1=O ZINC000337266978 366115285 /nfs/dbraw/zinc/11/52/85/366115285.db2.gz ZRCAQULNNLNZNH-UYSNPLJNSA-N 0 3 294.439 2.036 20 30 CEEDHN C#CC[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000271722088 191292315 /nfs/dbraw/zinc/29/23/15/191292315.db2.gz QITQORYMCKVWFQ-OAHLLOKOSA-N 0 3 284.319 2.146 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)C[C@H]1CSCCN1 ZINC000132544791 366151046 /nfs/dbraw/zinc/15/10/46/366151046.db2.gz LUFWGKYIOLRXHR-HNNXBMFYSA-N 0 3 290.432 2.296 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000338152912 366213637 /nfs/dbraw/zinc/21/36/37/366213637.db2.gz NSEWYAOUASQKEK-CYBMUJFWSA-N 0 3 285.391 2.328 20 30 CEEDHN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000333314788 283056874 /nfs/dbraw/zinc/05/68/74/283056874.db2.gz OOKHXPVANFATLE-QEJZJMRPSA-N 0 3 275.396 2.202 20 30 CEEDHN Cc1nc(C2CCN(CCCSCC#N)CC2)no1 ZINC000074989854 363431298 /nfs/dbraw/zinc/43/12/98/363431298.db2.gz GMABZZUKYFPEGE-UHFFFAOYSA-N 0 3 280.397 2.204 20 30 CEEDHN N#CCc1ccc(CN2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000335990754 283055477 /nfs/dbraw/zinc/05/54/77/283055477.db2.gz SUQGGLMRUMUHKR-HZPDHXFCSA-N 0 3 288.416 2.459 20 30 CEEDHN N#C[C@]1(C(=O)NCCN2CCCCC2)CC12CCCC2 ZINC000333218570 283070870 /nfs/dbraw/zinc/07/08/70/283070870.db2.gz REUOQDUTPWMZQN-INIZCTEOSA-N 0 3 275.396 2.063 20 30 CEEDHN C#CC[C@@H](NC(=O)NCC1=CCN(C)CC1)c1ccccc1 ZINC000271883683 191387667 /nfs/dbraw/zinc/38/76/67/191387667.db2.gz LYFUZQFSMAOCHL-QGZVFWFLSA-N 0 3 297.402 2.312 20 30 CEEDHN C=C1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000382552805 540148961 /nfs/dbraw/zinc/14/89/61/540148961.db2.gz YDUWQJPISXWVID-OAHLLOKOSA-N 0 3 256.349 2.052 20 30 CEEDHN CCOC(=O)C1CCC(N(CC)C(=O)C(C)C#N)CC1 ZINC000338265524 366259949 /nfs/dbraw/zinc/25/99/49/366259949.db2.gz KERBZEJDUUPHNV-PNESKVBLSA-N 0 3 280.368 2.116 20 30 CEEDHN C[C@@H]1CN(C(=O)c2ccc(C#N)o2)CCN(C2CCC2)C1 ZINC000336345308 213193665 /nfs/dbraw/zinc/19/36/65/213193665.db2.gz FLHBFCVFJZZIHI-LBPRGKRZSA-N 0 3 287.363 2.098 20 30 CEEDHN C[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CCS1 ZINC000134342796 366310713 /nfs/dbraw/zinc/31/07/13/366310713.db2.gz BOCXAPGZGUXDJN-LBPRGKRZSA-N 0 3 289.404 2.324 20 30 CEEDHN N#Cc1cccc(C#N)c1N1CC[C@@H](N2CCCCC2)C1 ZINC000408404861 283203243 /nfs/dbraw/zinc/20/32/43/283203243.db2.gz KMWQQGWDURCFGS-MRXNPFEDSA-N 0 3 280.375 2.495 20 30 CEEDHN C=CC[C@@H](CO)NCc1c[nH]nc1-c1ccccc1 ZINC000320631371 538788927 /nfs/dbraw/zinc/78/89/27/538788927.db2.gz KMWGEVFRHHCFBC-AWEZNQCLSA-N 0 3 257.337 2.103 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](C(=O)N(C)C)C1 ZINC000336282105 213121285 /nfs/dbraw/zinc/12/12/85/213121285.db2.gz ZTQMKAVZEXFQQP-DOMZBBRYSA-N 0 3 271.364 2.029 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](C)[C@H]2CCCO2)CC1 ZINC000668369873 538893731 /nfs/dbraw/zinc/89/37/31/538893731.db2.gz HLYWHJXGCZCSLP-GDBMZVCRSA-N 0 3 294.439 2.348 20 30 CEEDHN CS[C@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000294475521 199054416 /nfs/dbraw/zinc/05/44/16/199054416.db2.gz WJSNTCLCQVLTPG-KBPBESRZSA-N 0 3 262.378 2.029 20 30 CEEDHN COc1ccc(CN2C[C@@H](C)N(C)[C@@H](C)C2)cc1C#N ZINC000135273316 366419618 /nfs/dbraw/zinc/41/96/18/366419618.db2.gz YFGUWXLGAMLRTC-BETUJISGSA-N 0 3 273.380 2.091 20 30 CEEDHN C=C[C@@H](CC(=O)N[C@H]1CNCCC1(F)F)c1ccccc1 ZINC000578895700 366564561 /nfs/dbraw/zinc/56/45/61/366564561.db2.gz WTXAPRKQOIVYCN-JSGCOSHPSA-N 0 3 294.345 2.460 20 30 CEEDHN C=CCCCCN1CCN(CCOC(C)C)CC1 ZINC000579080746 366589573 /nfs/dbraw/zinc/58/95/73/366589573.db2.gz JWCVVKXNLXCIPV-UHFFFAOYSA-N 0 3 254.418 2.385 20 30 CEEDHN C=CCCCCCN(C)CC(=O)NCc1cccnc1 ZINC000150881036 366602771 /nfs/dbraw/zinc/60/27/71/366602771.db2.gz LZBXHUMZMKZEBK-UHFFFAOYSA-N 0 3 275.396 2.376 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc(C#N)cs2)CCN1C ZINC000177094848 189028305 /nfs/dbraw/zinc/02/83/05/189028305.db2.gz ANAUUTYAGBYONZ-ZYHUDNBSSA-N 0 3 277.393 2.174 20 30 CEEDHN N#Cc1ccc(CN2CCCN(CCCF)CC2)cc1 ZINC000178248389 189100404 /nfs/dbraw/zinc/10/04/04/189100404.db2.gz FBKFIHNEVDGQAO-UHFFFAOYSA-N 0 3 275.371 2.426 20 30 CEEDHN C=CCN1CCC(NC(=O)c2scnc2CC)CC1 ZINC000178794933 189147056 /nfs/dbraw/zinc/14/70/56/189147056.db2.gz OKHRYLGQBOSUHN-UHFFFAOYSA-N 0 3 279.409 2.086 20 30 CEEDHN CCN1CCN(CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000677195895 540993797 /nfs/dbraw/zinc/99/37/97/540993797.db2.gz YFVCQNZFEYRMOF-AWEZNQCLSA-N 0 3 260.356 2.203 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)C2CCC2)CC1 ZINC000677332273 541005762 /nfs/dbraw/zinc/00/57/62/541005762.db2.gz BPEPFIBDNDAIOM-LBPRGKRZSA-N 0 3 265.401 2.125 20 30 CEEDHN CC(C)(C)[C@@H](CO)NCc1ccc(C#N)cc1F ZINC000180626258 189266494 /nfs/dbraw/zinc/26/64/94/189266494.db2.gz CQVRFBAITZKBEH-CYBMUJFWSA-N 0 3 250.317 2.194 20 30 CEEDHN C=C(C)[C@@H](CO)N(C)CCOc1ccccc1F ZINC000677476352 541017436 /nfs/dbraw/zinc/01/74/36/541017436.db2.gz NXOPCXAYKCFTNL-CYBMUJFWSA-N 0 3 253.317 2.073 20 30 CEEDHN COCC#CCN(CCc1ccc(F)cc1)C1CC1 ZINC000677817693 541046602 /nfs/dbraw/zinc/04/66/02/541046602.db2.gz PNPTYWCAXHYNMN-UHFFFAOYSA-N 0 3 261.340 2.482 20 30 CEEDHN COCC#CCN1CCC[C@H]1Cc1cccc(OC)c1 ZINC000677818651 541046636 /nfs/dbraw/zinc/04/66/36/541046636.db2.gz SKFCRNCJCPJGKZ-INIZCTEOSA-N 0 3 273.376 2.352 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H](C)[C@H](CO)SC ZINC000152470069 366698501 /nfs/dbraw/zinc/69/85/01/366698501.db2.gz SOONCEQLASSMIK-WFASDCNBSA-N 0 3 281.421 2.453 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000580276917 366773664 /nfs/dbraw/zinc/77/36/64/366773664.db2.gz INMITTSAGVAMES-GLQYFDAESA-N 0 3 289.375 2.452 20 30 CEEDHN C=CCCOCCNC(=O)c1ccc(CN(C)C)cc1 ZINC000155320058 366815772 /nfs/dbraw/zinc/81/57/72/366815772.db2.gz NBLOPQAAFREGDP-UHFFFAOYSA-N 0 3 276.380 2.071 20 30 CEEDHN C=CCCC[C@@H](C)N1CCc2nn(CC)c(=O)cc2C1 ZINC000678716630 541165748 /nfs/dbraw/zinc/16/57/48/541165748.db2.gz VSYQYPNSKOGXED-CYBMUJFWSA-N 0 3 275.396 2.366 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000678732326 541167412 /nfs/dbraw/zinc/16/74/12/541167412.db2.gz LKNJSRWHWKMHSA-MFKMUULPSA-N 0 3 253.317 2.422 20 30 CEEDHN CS[C@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1N(C)C ZINC000342554810 216399332 /nfs/dbraw/zinc/39/93/32/216399332.db2.gz RQVTZJGYNXLDJU-CABCVRRESA-N 0 3 293.411 2.175 20 30 CEEDHN CC(C#N)C(=O)NCCc1cccc2cccnc21 ZINC000084796669 363822873 /nfs/dbraw/zinc/82/28/73/363822873.db2.gz JVQOVHXLBLIZKB-LLVKDONJSA-N 0 3 253.305 2.053 20 30 CEEDHN CN(C(=O)c1cccc(F)c1C#N)[C@@H]1CCN(C2CC2)C1 ZINC000336351654 213199590 /nfs/dbraw/zinc/19/95/90/213199590.db2.gz YDDDTOWSPOUSRA-GFCCVEGCSA-N 0 3 287.338 2.006 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCCSCC1 ZINC000089983245 364027747 /nfs/dbraw/zinc/02/77/47/364027747.db2.gz BFUIBXOEISEDRZ-CYBMUJFWSA-N 0 3 268.426 2.014 20 30 CEEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cnn(C)c1 ZINC000090106774 364041124 /nfs/dbraw/zinc/04/11/24/364041124.db2.gz OTKYPURJEBGWGE-GFCCVEGCSA-N 0 3 270.336 2.021 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2c(C#N)nnc3ccccc32)CCN1C ZINC000090795396 364065166 /nfs/dbraw/zinc/06/51/66/364065166.db2.gz PSXITIJOOYRBLC-NEPJUHHUSA-N 0 3 281.363 2.396 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)C1(C#N)CCCCC1 ZINC000092630557 364090104 /nfs/dbraw/zinc/09/01/04/364090104.db2.gz HOKPKIYVHFAYQG-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1 ZINC000334729567 364242146 /nfs/dbraw/zinc/24/21/46/364242146.db2.gz DEWJNNRAXOEXMT-GDBMZVCRSA-N 0 3 298.390 2.425 20 30 CEEDHN C[C@@H](SCCN(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000094822707 364301737 /nfs/dbraw/zinc/30/17/37/364301737.db2.gz UGPUPIDSVIQUOP-LLVKDONJSA-N 0 3 277.393 2.180 20 30 CEEDHN CCN1CCCN(C(=O)Nc2cc(C)cc(C#N)c2)CC1 ZINC000335007666 364342557 /nfs/dbraw/zinc/34/25/57/364342557.db2.gz VCPOUMUPNOXHTB-UHFFFAOYSA-N 0 3 286.379 2.426 20 30 CEEDHN N#Cc1ccccc1NC(=O)CCN1C[C@@H]2C[C@H]1CS2 ZINC000582048248 366853928 /nfs/dbraw/zinc/85/39/28/366853928.db2.gz SDCWYCWEJZYBCH-STQMWFEESA-N 0 3 287.388 2.077 20 30 CEEDHN CSC[C@@H](O)CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000582058354 366855014 /nfs/dbraw/zinc/85/50/14/366855014.db2.gz XUJYYFZDRCVHEY-DZGCQCFKSA-N 0 3 276.405 2.249 20 30 CEEDHN N#Cc1ccc(CN2CCCC[C@H]2C2(O)CC2)cc1 ZINC000335155178 364550654 /nfs/dbraw/zinc/55/06/54/364550654.db2.gz HULMCUIEQHFXMV-HNNXBMFYSA-N 0 3 256.349 2.438 20 30 CEEDHN C=CCNC(=O)CNC1(c2ccc(F)cc2)CCCC1 ZINC000104076485 364675789 /nfs/dbraw/zinc/67/57/89/364675789.db2.gz FASBODZVRHPMJS-UHFFFAOYSA-N 0 3 276.355 2.487 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CCN1C ZINC000335292552 364679226 /nfs/dbraw/zinc/67/92/26/364679226.db2.gz DNHVFCYNCNDOSD-CZUORRHYSA-N 0 3 297.402 2.189 20 30 CEEDHN C[C@H](C#N)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000335345186 364689988 /nfs/dbraw/zinc/68/99/88/364689988.db2.gz PBVVJQQHGOIATF-CABCVRRESA-N 0 3 285.391 2.269 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)ccc2Cl)CCN1C ZINC000335707015 364862090 /nfs/dbraw/zinc/86/20/90/364862090.db2.gz CZLXCUGPOBNSFP-PWSUYJOCSA-N 0 3 291.782 2.424 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](COCC)C1 ZINC000113935971 364918038 /nfs/dbraw/zinc/91/80/38/364918038.db2.gz BFWKQLMXUOIYLV-HNNXBMFYSA-N 0 3 282.428 2.160 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](CC)c1c(C)nn(C)c1C ZINC000680400037 541408575 /nfs/dbraw/zinc/40/85/75/541408575.db2.gz MRMQEJFYIKAZPI-OLZOCXBDSA-N 0 3 251.374 2.015 20 30 CEEDHN C=CC[C@H](CO)NCc1c[nH]nc1-c1ccc(C)cc1 ZINC000680484528 541418497 /nfs/dbraw/zinc/41/84/97/541418497.db2.gz LMQKTNIVZRQXJM-OAHLLOKOSA-N 0 3 271.364 2.412 20 30 CEEDHN C[C@H]1CCN(C)CCN1C(=O)Nc1ccc(F)cc1C#N ZINC000335765650 364950295 /nfs/dbraw/zinc/95/02/95/364950295.db2.gz YPJZFUUVQWGBRN-NSHDSACASA-N 0 3 290.342 2.255 20 30 CEEDHN CC(C)C[C@@H](CNC(=O)c1sccc1C#N)N(C)C ZINC000114376585 364941369 /nfs/dbraw/zinc/94/13/69/364941369.db2.gz GRRUNUYVDQWPOA-LBPRGKRZSA-N 0 3 279.409 2.326 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000335824747 365034166 /nfs/dbraw/zinc/03/41/66/365034166.db2.gz XFIJJKABHVSDSK-NHYWBVRUSA-N 0 3 260.312 2.475 20 30 CEEDHN CC(=O)NC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118395312 365154002 /nfs/dbraw/zinc/15/40/02/365154002.db2.gz WDRSQJFKHBDWGH-LBPRGKRZSA-N 0 3 271.364 2.220 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000335906964 365145333 /nfs/dbraw/zinc/14/53/33/365145333.db2.gz BMGFJHFDRDJEBE-GFCCVEGCSA-N 0 3 287.363 2.206 20 30 CEEDHN C=CCN1CCC(NC(=O)c2csc(Cl)n2)CC1 ZINC000275413741 193026624 /nfs/dbraw/zinc/02/66/24/193026624.db2.gz DVRTZVYAEKKSKT-UHFFFAOYSA-N 0 3 285.800 2.177 20 30 CEEDHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(C#N)cc1 ZINC000275457938 193046626 /nfs/dbraw/zinc/04/66/26/193046626.db2.gz GXQYZDKWBHKGPY-HOTGVXAUSA-N 0 3 296.374 2.394 20 30 CEEDHN C=C[C@H](C)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000119355432 365260780 /nfs/dbraw/zinc/26/07/80/365260780.db2.gz ICRMYIJVBLSZQJ-RYUDHWBXSA-N 0 3 282.409 2.162 20 30 CEEDHN C=CCN(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000119401410 365268406 /nfs/dbraw/zinc/26/84/06/365268406.db2.gz ZFRNYKRFKGWYMZ-GDBMZVCRSA-N 0 3 287.407 2.477 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)Nc2cccc(C#N)c2)CN1C1CC1 ZINC000119848389 365333608 /nfs/dbraw/zinc/33/36/08/365333608.db2.gz JQLXLKHQOLIWKQ-BXUZGUMPSA-N 0 3 284.363 2.305 20 30 CEEDHN C=CCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000159225505 366891502 /nfs/dbraw/zinc/89/15/02/366891502.db2.gz WIZJIZBPBVBTGM-ZFWWWQNUSA-N 0 3 273.380 2.135 20 30 CEEDHN N#Cc1ccc(CN2CCCC[C@@H]2CCO)s1 ZINC000159739720 366945358 /nfs/dbraw/zinc/94/53/58/366945358.db2.gz YZJRQSZXHWYFHL-LLVKDONJSA-N 0 3 250.367 2.357 20 30 CEEDHN C[C@H](O)C[C@@H]1CCCCN1Cc1ccc(C#N)cn1 ZINC000582428494 366911629 /nfs/dbraw/zinc/91/16/29/366911629.db2.gz PRELBCNTQFOPAA-WFASDCNBSA-N 0 3 259.353 2.079 20 30 CEEDHN C=CCCCCNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000681160891 541514561 /nfs/dbraw/zinc/51/45/61/541514561.db2.gz MQDKVRQMOFWGBF-AWEZNQCLSA-N 0 3 265.401 2.126 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc(C#N)s1 ZINC000572420086 299366774 /nfs/dbraw/zinc/36/67/74/299366774.db2.gz JHNDJINRGDZRFO-VHSXEESVSA-N 0 3 266.366 2.297 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1CN(C)C ZINC000583792697 367097407 /nfs/dbraw/zinc/09/74/07/367097407.db2.gz GERFARYAIQSUOX-HIFRSBDPSA-N 0 3 274.364 2.278 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1C[C@@H]1c1cnn(-c2ccccc2)c1 ZINC000357925384 370837030 /nfs/dbraw/zinc/83/70/30/370837030.db2.gz HWJBAXVAJYHMCA-KCPJHIHWSA-N 0 3 280.331 2.004 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)Cc1ccc(C#N)cc1 ZINC000341051817 367149613 /nfs/dbraw/zinc/14/96/13/367149613.db2.gz FGRNDMVCCCCCSA-GASCZTMLSA-N 0 3 299.418 2.480 20 30 CEEDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(C#N)[nH]1 ZINC000162285310 367149833 /nfs/dbraw/zinc/14/98/33/367149833.db2.gz GUCBUOMIOQGQPH-UHFFFAOYSA-N 0 3 296.374 2.090 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccccc1CC#N ZINC000601015234 367214704 /nfs/dbraw/zinc/21/47/04/367214704.db2.gz HRDGJIPNBAEOSH-HNNXBMFYSA-N 0 3 287.407 2.459 20 30 CEEDHN C#CCN(C(=O)N[C@@H](C)CN1CCCCC1)C1CCCC1 ZINC000163347892 367232758 /nfs/dbraw/zinc/23/27/58/367232758.db2.gz KFHWXFZLFFMDQM-HNNXBMFYSA-N 0 3 291.439 2.448 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cc(F)c(F)c(F)c1 ZINC000341253311 367247877 /nfs/dbraw/zinc/24/78/77/367247877.db2.gz BQRSMIQQMGNZDA-SECBINFHSA-N 0 3 259.271 2.378 20 30 CEEDHN COc1ccc(C[C@@H](C)CN(C)C(=O)C(C)C#N)cc1 ZINC000342399695 367405407 /nfs/dbraw/zinc/40/54/07/367405407.db2.gz VLLRMTNMNKBROV-CHWSQXEVSA-N 0 3 274.364 2.492 20 30 CEEDHN CCN1C[C@H](C)N(c2cc(C)nc(C#N)c2)C[C@@H]1C ZINC000342474839 367411105 /nfs/dbraw/zinc/41/11/05/367411105.db2.gz NCCAJJYCNGBLOR-STQMWFEESA-N 0 3 258.369 2.181 20 30 CEEDHN CN(C)C(=O)C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000342699873 367489647 /nfs/dbraw/zinc/48/96/47/367489647.db2.gz WGQQMUCASPPIDR-UHFFFAOYSA-N 0 3 285.391 2.053 20 30 CEEDHN C=CCCOCCCCC(=O)N(C)C1CCN(C)CC1 ZINC000342609426 367449041 /nfs/dbraw/zinc/44/90/41/367449041.db2.gz QRZVBFCIGYNTSY-UHFFFAOYSA-N 0 3 282.428 2.302 20 30 CEEDHN C[C@@H](Cn1cccn1)NC1(c2cccc(C#N)c2)CC1 ZINC000342811908 367552010 /nfs/dbraw/zinc/55/20/10/367552010.db2.gz WZKTUSJCQMKXPM-ZDUSSCGKSA-N 0 3 266.348 2.422 20 30 CEEDHN Cc1cc(C#N)cc(NC[C@H]2N(C)CCCC2(C)C)n1 ZINC000343054806 367649583 /nfs/dbraw/zinc/64/95/83/367649583.db2.gz PVFHEABKSQPQGE-CQSZACIVSA-N 0 3 272.396 2.216 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171892090 367634540 /nfs/dbraw/zinc/63/45/40/367634540.db2.gz RFXJKPBSUNCAEQ-CQSZACIVSA-N 0 3 284.363 2.179 20 30 CEEDHN C[C@H](C(=O)NCCCCC#N)N1[C@H](C)CC[C@@H]1C ZINC000245835597 370877539 /nfs/dbraw/zinc/87/75/39/370877539.db2.gz VLZPJLDCXLERSG-FRRDWIJNSA-N 0 3 251.374 2.058 20 30 CEEDHN C=CCCN1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000172619302 367790221 /nfs/dbraw/zinc/79/02/21/367790221.db2.gz HXCKWSQBJFNOSV-UHFFFAOYSA-N 0 3 290.407 2.398 20 30 CEEDHN C=CCCN(C)Cc1cc2c(cc1OCCOC)OCO2 ZINC000343497761 367847289 /nfs/dbraw/zinc/84/72/89/367847289.db2.gz RPRIKQWNJDVTFU-UHFFFAOYSA-N 0 3 293.363 2.448 20 30 CEEDHN COC[C@@H](C)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000173667012 367932464 /nfs/dbraw/zinc/93/24/64/367932464.db2.gz MWAHNZIGHIULTO-CYBMUJFWSA-N 0 3 274.364 2.436 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1ccc(C#N)s1 ZINC000343577125 367893912 /nfs/dbraw/zinc/89/39/12/367893912.db2.gz USNQKLQNEUIXCS-NSHDSACASA-N 0 3 277.393 2.224 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)NCCc1cccc(C#N)c1 ZINC000343858754 368043010 /nfs/dbraw/zinc/04/30/10/368043010.db2.gz VNQCXXQDNWAOLX-INIZCTEOSA-N 0 3 285.391 2.091 20 30 CEEDHN C=C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000633106459 368058520 /nfs/dbraw/zinc/05/85/20/368058520.db2.gz JZSFTXZDTAZBLG-ZBFHGGJFSA-N 0 3 287.407 2.443 20 30 CEEDHN N#Cc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC000174310157 368009419 /nfs/dbraw/zinc/00/94/19/368009419.db2.gz DISIGBIVMWGPJQ-OAHLLOKOSA-N 0 3 282.347 2.036 20 30 CEEDHN CC(C)(C)OC(=O)NCCCNCc1ccc(C#N)o1 ZINC000174348843 368013999 /nfs/dbraw/zinc/01/39/99/368013999.db2.gz AGRGKHZCONSNFD-UHFFFAOYSA-N 0 3 279.340 2.156 20 30 CEEDHN CC(C)(C)[C@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000344207031 368114745 /nfs/dbraw/zinc/11/47/45/368114745.db2.gz IJUUMRMXSHOALR-XJKSGUPXSA-N 0 3 277.412 2.163 20 30 CEEDHN CC(C#N)C(=O)N1CCC(=O)C[C@@H]1c1ccccc1 ZINC000633166321 368088457 /nfs/dbraw/zinc/08/84/57/368088457.db2.gz VQPDFIXCCYKZGQ-BXUZGUMPSA-N 0 3 256.305 2.079 20 30 CEEDHN C=CCNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000344010932 368100640 /nfs/dbraw/zinc/10/06/40/368100640.db2.gz MFHXWJAOLWERQW-UHFFFAOYSA-N 0 3 275.396 2.254 20 30 CEEDHN CC(C)CN1CCO[C@@H](CNCc2ccc(C#N)s2)C1 ZINC000176942466 368254677 /nfs/dbraw/zinc/25/46/77/368254677.db2.gz XZSDPJOMUAWPHL-ZDUSSCGKSA-N 0 3 293.436 2.066 20 30 CEEDHN C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000633369413 368216639 /nfs/dbraw/zinc/21/66/39/368216639.db2.gz QKHKUJDGPCKTSF-CYBMUJFWSA-N 0 3 250.386 2.284 20 30 CEEDHN N#Cc1nccnc1NCC1CCN(c2ccncc2)CC1 ZINC000180043394 368364968 /nfs/dbraw/zinc/36/49/68/368364968.db2.gz CEYSPVBHJWHGMD-UHFFFAOYSA-N 0 3 294.362 2.072 20 30 CEEDHN C=CCCN(C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000682436559 541664377 /nfs/dbraw/zinc/66/43/77/541664377.db2.gz OCQHVPJZYOKZMC-UHFFFAOYSA-N 0 3 268.382 2.066 20 30 CEEDHN C=CCCN(C)C(=O)N[C@H](CC)CN1CCCC1 ZINC000682430791 541664718 /nfs/dbraw/zinc/66/47/18/541664718.db2.gz RIHOYGPPMSUHGH-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN COc1cncc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1C ZINC000633898908 368455509 /nfs/dbraw/zinc/45/55/09/368455509.db2.gz BRZZEIRSDIKUGE-LBPRGKRZSA-N 0 3 296.330 2.296 20 30 CEEDHN CC(C)[C@H](N)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000181490447 368461859 /nfs/dbraw/zinc/46/18/59/368461859.db2.gz LTQHBYRZFHRACM-ZDUSSCGKSA-N 0 3 298.308 2.156 20 30 CEEDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1cccc(C#N)c1)CC2 ZINC000181664659 368480128 /nfs/dbraw/zinc/48/01/28/368480128.db2.gz FVIJVNSIMPFSEP-NHYWBVRUSA-N 0 3 281.363 2.124 20 30 CEEDHN CSCC[C@H](CO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346142682 368558881 /nfs/dbraw/zinc/55/88/81/368558881.db2.gz AOKPQEPKZNLXIB-GXFFZTMASA-N 0 3 282.384 2.462 20 30 CEEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000346171750 368574096 /nfs/dbraw/zinc/57/40/96/368574096.db2.gz BFQMGVNIQCYYSR-JJRVBVJISA-N 0 3 297.402 2.361 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(C)(C)C#N ZINC000182530867 368566395 /nfs/dbraw/zinc/56/63/95/368566395.db2.gz YAZHIVTVSIUDNS-CYBMUJFWSA-N 0 3 273.380 2.173 20 30 CEEDHN CCOc1ccc(C#N)cc1N[C@@H]1CCN(CCOC)C1 ZINC000346311680 368630448 /nfs/dbraw/zinc/63/04/48/368630448.db2.gz DSEXCNKUVWDLEK-CQSZACIVSA-N 0 3 289.379 2.090 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN1CCC[C@H]1C1CCC1)C1CC1 ZINC000246012737 370899752 /nfs/dbraw/zinc/89/97/52/370899752.db2.gz KVLFNKMGWSFVFN-HOCLYGCPSA-N 0 3 275.396 2.059 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000346450527 368679242 /nfs/dbraw/zinc/67/92/42/368679242.db2.gz OYLVZHMYTUYBLS-AVGNSLFASA-N 0 3 253.390 2.123 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)o1 ZINC000246179694 370923129 /nfs/dbraw/zinc/92/31/29/370923129.db2.gz SHPFTWHDOATYQN-BFHYXJOUSA-N 0 3 258.321 2.198 20 30 CEEDHN C=C(CNC[C@@H](O)C[C@](C)(O)C1CC1)c1ccccc1 ZINC000634713947 368836039 /nfs/dbraw/zinc/83/60/39/368836039.db2.gz DCPHTQZQBYZBTP-IRXDYDNUSA-N 0 3 275.392 2.201 20 30 CEEDHN CC#CCCCC(=O)N1CCCC[C@@H]1CN(C)C ZINC000185292881 368781715 /nfs/dbraw/zinc/78/17/15/368781715.db2.gz SQNFQBCMGPXUJS-CQSZACIVSA-N 0 3 250.386 2.123 20 30 CEEDHN CC#CCCCC(=O)N(CCN(C)C)Cc1ccco1 ZINC000185824371 368867826 /nfs/dbraw/zinc/86/78/26/368867826.db2.gz FHYVNZHETLLKLO-UHFFFAOYSA-N 0 3 276.380 2.363 20 30 CEEDHN CCC[C@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000185860219 368875834 /nfs/dbraw/zinc/87/58/34/368875834.db2.gz DOLUHDDUYDAVKV-HOCLYGCPSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000186690069 369021512 /nfs/dbraw/zinc/02/15/12/369021512.db2.gz GGXXCXXGXZBBDW-JSGCOSHPSA-N 0 3 277.364 2.436 20 30 CEEDHN C[C@H](NCCc1cnn(C)c1)c1ccc(C#N)cc1F ZINC000348371681 369022626 /nfs/dbraw/zinc/02/26/26/369022626.db2.gz GLJMDNZTQLSYRK-NSHDSACASA-N 0 3 272.327 2.324 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(F)c(OC)c2)CC1 ZINC000187627576 369190112 /nfs/dbraw/zinc/19/01/12/369190112.db2.gz HCRKCDQJTCIPCY-UHFFFAOYSA-N 0 3 290.338 2.118 20 30 CEEDHN Cc1cc(CN(C)CCN(C)C2CC2)ccc1C#N ZINC000349370506 369312074 /nfs/dbraw/zinc/31/20/74/369312074.db2.gz RHWSRKJAKULDBA-UHFFFAOYSA-N 0 3 257.381 2.393 20 30 CEEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)CC(F)(F)F ZINC000188619104 369383278 /nfs/dbraw/zinc/38/32/78/369383278.db2.gz PGJNPHGHXAWEAN-LBPRGKRZSA-N 0 3 272.270 2.303 20 30 CEEDHN C=CC[C@@H](CO)CN[C@H](c1ccccc1)c1cncnc1 ZINC000349771761 369394316 /nfs/dbraw/zinc/39/43/16/369394316.db2.gz ABLHUXIKMPBEFH-RHSMWYFYSA-N 0 3 283.375 2.340 20 30 CEEDHN COCCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000349806762 369405781 /nfs/dbraw/zinc/40/57/81/369405781.db2.gz ZJQHIQGHMMEXOP-LSDHHAIUSA-N 0 3 274.364 2.494 20 30 CEEDHN COc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1[N+](=O)[O-] ZINC000349814627 369408307 /nfs/dbraw/zinc/40/83/07/369408307.db2.gz VENGUDUFDSJUAA-PWSUYJOCSA-N 0 3 275.308 2.385 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC000636252551 369573668 /nfs/dbraw/zinc/57/36/68/369573668.db2.gz XBAFQHQEUPUYDK-CYBMUJFWSA-N 0 3 252.402 2.389 20 30 CEEDHN CCC(=O)CCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000190164762 369601028 /nfs/dbraw/zinc/60/10/28/369601028.db2.gz LJNJYWGJLUHTBU-UHFFFAOYSA-N 0 3 299.418 2.435 20 30 CEEDHN C=CCCCCNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000351644225 369647177 /nfs/dbraw/zinc/64/71/77/369647177.db2.gz JTGLMZVHJJCFIN-TZMCWYRMSA-N 0 3 265.401 2.125 20 30 CEEDHN C=CCCCCNC(=O)NC1CCN(C2CC2)CC1 ZINC000351693433 369650376 /nfs/dbraw/zinc/65/03/76/369650376.db2.gz OTOSWXOGQVTHIN-UHFFFAOYSA-N 0 3 265.401 2.269 20 30 CEEDHN C=CCCN(C)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000276513814 193363373 /nfs/dbraw/zinc/36/33/73/193363373.db2.gz XYGQGOCINRDPMG-CYBMUJFWSA-N 0 3 278.371 2.381 20 30 CEEDHN C=CCN(CCOC)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000191133879 369682254 /nfs/dbraw/zinc/68/22/54/369682254.db2.gz AKPLGHPDVAATTJ-CQSZACIVSA-N 0 3 299.798 2.214 20 30 CEEDHN CN(CCN1CCCC1)C(=O)c1cc(C#N)ccc1Cl ZINC000352582403 369794807 /nfs/dbraw/zinc/79/48/07/369794807.db2.gz JTSMQGUXTYWCOL-UHFFFAOYSA-N 0 3 291.782 2.379 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000637321179 369898202 /nfs/dbraw/zinc/89/82/02/369898202.db2.gz UILILEPROOCNAK-AWEZNQCLSA-N 0 3 279.428 2.467 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NCc1nc(C#N)cs1 ZINC000352839201 369906777 /nfs/dbraw/zinc/90/67/77/369906777.db2.gz IVLWISRWAWUWGI-NEPJUHHUSA-N 0 3 278.425 2.225 20 30 CEEDHN C=CCC1(NC(=O)NC[C@@H]2CCCN2C)CCCC1 ZINC000637533473 369974670 /nfs/dbraw/zinc/97/46/70/369974670.db2.gz YJEQDZDPNQIAAB-ZDUSSCGKSA-N 0 3 265.401 2.269 20 30 CEEDHN C=CCCCCCN1CCN(c2cccnn2)CC1 ZINC000193327294 369927173 /nfs/dbraw/zinc/92/71/73/369927173.db2.gz BQBVUVPOHQEADT-UHFFFAOYSA-N 0 3 260.385 2.345 20 30 CEEDHN CC(C)[C@@](C)(CO)NCc1cccc(C#N)c1F ZINC000352888114 369934411 /nfs/dbraw/zinc/93/44/11/369934411.db2.gz ZSAIBLZDTVQWOP-CQSZACIVSA-N 0 3 250.317 2.194 20 30 CEEDHN N#Cc1cccc(OCCN2CC[C@H](COC(F)F)C2)c1 ZINC000353020414 369985217 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/nfs/dbraw/zinc/58/71/40/370587140.db2.gz HSTQMHOCWFJYQM-UKRRQHHQSA-N 0 3 260.312 2.354 20 30 CEEDHN C=CC[C@@H](Cc1ccccc1)NCc1ncnn1C ZINC000639265346 371165240 /nfs/dbraw/zinc/16/52/40/371165240.db2.gz JSAOFEMEBZRCAB-AWEZNQCLSA-N 0 3 256.353 2.092 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2C(C)C)CC1 ZINC000358815200 371233233 /nfs/dbraw/zinc/23/32/33/371233233.db2.gz IUPBFIPGJNVSJK-OAHLLOKOSA-N 0 3 279.428 2.467 20 30 CEEDHN C#CCCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248662812 371233333 /nfs/dbraw/zinc/23/33/33/371233333.db2.gz JHFXGARWXMTUDK-NVXWUHKLSA-N 0 3 284.403 2.427 20 30 CEEDHN C[C@H](O)CN1CCN([C@@H](C)c2cccc(C#N)c2)C[C@H]1C ZINC000249288360 371310756 /nfs/dbraw/zinc/31/07/56/371310756.db2.gz QFAKLLNMJLTXKA-ILXRZTDVSA-N 0 3 287.407 2.006 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@H]1CCc2ncnn21 ZINC000639573026 371415235 /nfs/dbraw/zinc/41/52/35/371415235.db2.gz XMXFNKISHGZHHI-CYBMUJFWSA-N 0 3 272.352 2.089 20 30 CEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1sccc1C#N ZINC000250285170 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/nfs/dbraw/zinc/51/76/40/375517640.db2.gz UHRXCTPGDSABHL-HNNXBMFYSA-N 0 3 257.381 2.400 20 30 CEEDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc(C#N)cc1OC ZINC000283030817 375640363 /nfs/dbraw/zinc/64/03/63/375640363.db2.gz HOPHNBRGRURJEX-NEPJUHHUSA-N 0 3 290.363 2.244 20 30 CEEDHN COC1([C@@H](C)NCc2cnc3ccc(C#N)cn23)CCC1 ZINC000414530856 375837672 /nfs/dbraw/zinc/83/76/72/375837672.db2.gz YALGOMDCQZNYCT-GFCCVEGCSA-N 0 3 284.363 2.253 20 30 CEEDHN CN(C)CCNc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000286733964 376049393 /nfs/dbraw/zinc/04/93/93/376049393.db2.gz DSMLBNPCPHEZQV-UHFFFAOYSA-N 0 3 294.280 2.497 20 30 CEEDHN CN1CCN(c2ccc(C#N)nc2)C[C@@H]1Cc1ccccc1 ZINC000286815408 376074694 /nfs/dbraw/zinc/07/46/94/376074694.db2.gz WLPZRWMGVVNLJH-SFHVURJKSA-N 0 3 292.386 2.316 20 30 CEEDHN C=CCSCCNC(=O)NCc1ccc2c(c1)CNC2 ZINC000417340746 376187299 /nfs/dbraw/zinc/18/72/99/376187299.db2.gz KHXFBTHYRXDXPQ-UHFFFAOYSA-N 0 3 291.420 2.008 20 30 CEEDHN CC[C@H]1CCCCN1CCNc1nc(C)cc(C#N)n1 ZINC000287381232 376220485 /nfs/dbraw/zinc/22/04/85/376220485.db2.gz OPIDVPNAXDWEOE-AWEZNQCLSA-N 0 3 273.384 2.333 20 30 CEEDHN C=CCNC(=O)CN1CC[C@@H](c2ccccc2C)C1 ZINC000263776895 190077824 /nfs/dbraw/zinc/07/78/24/190077824.db2.gz XQHGOBQIXGSLBB-CQSZACIVSA-N 0 3 258.365 2.087 20 30 CEEDHN CC(C)[C@H](O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305804100 376496818 /nfs/dbraw/zinc/49/68/18/376496818.db2.gz FSFQERCSPKBCGW-IINYFYTJSA-N 0 3 250.317 2.365 20 30 CEEDHN C[C@@H](NC[C@@H](O)COCC1CC1)c1ccc(C#N)c(F)c1 ZINC000305843643 376516178 /nfs/dbraw/zinc/51/61/78/376516178.db2.gz RWXQEZJQWDQYGF-IAQYHMDHSA-N 0 3 292.354 2.135 20 30 CEEDHN Cc1cccc2c1OC[C@@H](NCc1cc(C#N)n(C)c1)C2 ZINC000289765137 376488987 /nfs/dbraw/zinc/48/89/87/376488987.db2.gz XEJJMPVCNCQPAE-HNNXBMFYSA-N 0 3 281.359 2.299 20 30 CEEDHN CSC[C@@H](CCO)N[C@@H](C)c1cccc(C#N)c1 ZINC000305795612 376492665 /nfs/dbraw/zinc/49/26/65/376492665.db2.gz VHTNNSIQDRMCHA-SMDDNHRTSA-N 0 3 264.394 2.323 20 30 CEEDHN CS[C@H](CO)[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000305799894 376495379 /nfs/dbraw/zinc/49/53/79/376495379.db2.gz CMUUHAMRCJFDSE-ISTVAULSSA-N 0 3 282.384 2.460 20 30 CEEDHN Cc1nc([C@@H]2CCN(Cc3cccc(C#N)c3F)C2)n[nH]1 ZINC000556815598 376495963 /nfs/dbraw/zinc/49/59/63/376495963.db2.gz YTAUDXWDLSLPAI-CYBMUJFWSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1n[nH]c([C@@H]2CCN(Cc3cccc(C#N)c3F)C2)n1 ZINC000556815598 376495972 /nfs/dbraw/zinc/49/59/72/376495972.db2.gz YTAUDXWDLSLPAI-CYBMUJFWSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1nnc([C@@H]2CCN(Cc3cccc(C#N)c3F)C2)[nH]1 ZINC000556815598 376495979 /nfs/dbraw/zinc/49/59/79/376495979.db2.gz YTAUDXWDLSLPAI-CYBMUJFWSA-N 0 3 285.326 2.113 20 30 CEEDHN C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)[C@@H](C)CN1 ZINC000420243987 376652470 /nfs/dbraw/zinc/65/24/70/376652470.db2.gz YAVQUGBDABNYHT-IUCAKERBSA-N 0 3 284.285 2.159 20 30 CEEDHN C[C@@H]1C[C@H]1N1CCN(c2ccncc2C#N)C[C@@H](C)C1 ZINC000559019044 376658745 /nfs/dbraw/zinc/65/87/45/376658745.db2.gz HRJWVWQSEITRCB-XJKCOSOUSA-N 0 3 270.380 2.120 20 30 CEEDHN C=CCOCCN1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000420996273 376768055 /nfs/dbraw/zinc/76/80/55/376768055.db2.gz ANUWADHONVUQTN-KBPBESRZSA-N 0 3 283.412 2.489 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)NC[C@H](C)C#N ZINC000561511717 376816608 /nfs/dbraw/zinc/81/66/08/376816608.db2.gz UTAIGRVINKHGNC-CQSZACIVSA-N 0 3 280.416 2.054 20 30 CEEDHN C[C@@H]1CN(CCC#N)CCN(Cc2ccccc2)C1 ZINC000324037910 376839713 /nfs/dbraw/zinc/83/97/13/376839713.db2.gz RHSNVSDAGUTHCC-OAHLLOKOSA-N 0 3 257.381 2.354 20 30 CEEDHN C=CCN(CCc1ccccc1)CCN1CCOCC1 ZINC000264681449 190128306 /nfs/dbraw/zinc/12/83/06/190128306.db2.gz CUVTWRIIMOYPPH-UHFFFAOYSA-N 0 3 274.408 2.049 20 30 CEEDHN CCn1cc([C@H]2OCCC[C@@H]2N[C@@H]2CC[C@H](C#N)C2)cn1 ZINC000328601986 376857750 /nfs/dbraw/zinc/85/77/50/376857750.db2.gz GLFZBEAASKSFEK-DRPJVOAASA-N 0 3 288.395 2.405 20 30 CEEDHN CC(=O)Nc1ccn([C@H]2CCN(C[C@@H]3CCCCO3)C2)n1 ZINC000328638852 376869089 /nfs/dbraw/zinc/86/90/89/376869089.db2.gz WPORQBPNXJMXLZ-KBPBESRZSA-N 0 3 292.383 2.307 20 30 CEEDHN C#Cc1ccccc1CC(=O)NC[C@H]1CCCCN1CC ZINC000290936638 376992842 /nfs/dbraw/zinc/99/28/42/376992842.db2.gz ZFYCENXLVHNVKN-QGZVFWFLSA-N 0 3 284.403 2.201 20 30 CEEDHN C[C@H]1CN(c2cnccc2C#N)CCN(C2CCC2)C1 ZINC000292222141 377229902 /nfs/dbraw/zinc/22/99/02/377229902.db2.gz ICUIBJXKSQHAKX-CYBMUJFWSA-N 0 3 270.380 2.264 20 30 CEEDHN C#CCN(C)CCCNc1c(C#N)cnc2ccccc21 ZINC000292659734 377259864 /nfs/dbraw/zinc/25/98/64/377259864.db2.gz CIDVJTYGEQARDK-UHFFFAOYSA-N 0 3 278.359 2.473 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000292637216 377260539 /nfs/dbraw/zinc/26/05/39/377260539.db2.gz DADIPLFUBIVOBM-GFCCVEGCSA-N 0 3 250.386 2.355 20 30 CEEDHN C=CCOCCN(C)Cc1ccc(C(=O)OC)cc1 ZINC000292691209 377262088 /nfs/dbraw/zinc/26/20/88/377262088.db2.gz CLHZQRVMZYRMBC-UHFFFAOYSA-N 0 3 263.337 2.108 20 30 CEEDHN CC(C)C[C@H](CNC(=O)C(C)C#N)C(=O)OC(C)(C)C ZINC000424958937 377311244 /nfs/dbraw/zinc/31/12/44/377311244.db2.gz XSGQIVQGSAXLQC-NWDGAFQWSA-N 0 3 282.384 2.266 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N(CC)C[C@@H]1CCCN1CC ZINC000563912716 377319050 /nfs/dbraw/zinc/31/90/50/377319050.db2.gz FDYCJVRRDGIWJW-ARFHVFGLSA-N 0 3 294.439 2.300 20 30 CEEDHN Cc1nsc(N2CC[C@@]3(C2)CCCN(C)C3)c1C#N ZINC000292863409 377319217 /nfs/dbraw/zinc/31/92/17/377319217.db2.gz SHMQJJBHRBRWMT-AWEZNQCLSA-N 0 3 276.409 2.245 20 30 CEEDHN COc1ccc(CNC[C@@H](OC)C2CC2)cc1C#N ZINC000292891190 377336702 /nfs/dbraw/zinc/33/67/02/377336702.db2.gz CYWWRQXSPKWDQL-OAHLLOKOSA-N 0 3 260.337 2.081 20 30 CEEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)CCOCC1 ZINC000424688908 377283873 /nfs/dbraw/zinc/28/38/73/377283873.db2.gz OJIBAPWFBBSLLP-GJZGRUSLSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCOCCN1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000292823855 377297831 /nfs/dbraw/zinc/29/78/31/377297831.db2.gz OEMGNJMUKAQOHB-KGLIPLIRSA-N 0 3 265.353 2.370 20 30 CEEDHN CC[C@@H]1[C@H](C)CCN1CC(=O)NCc1cccc(C#N)c1 ZINC000331137260 377299110 /nfs/dbraw/zinc/29/91/10/377299110.db2.gz SFDQKCUMMNHGKF-CZUORRHYSA-N 0 3 285.391 2.295 20 30 CEEDHN N#CC1(NC(=O)CN2CC[C@H](C3CCCC3)C2)CCC1 ZINC000563854207 377306011 /nfs/dbraw/zinc/30/60/11/377306011.db2.gz XVPSVRZESTVLPM-AWEZNQCLSA-N 0 3 275.396 2.061 20 30 CEEDHN C#CCNC(=O)CCN(C)Cc1cc2ccccc2o1 ZINC000292917513 377351937 /nfs/dbraw/zinc/35/19/37/377351937.db2.gz XRNDKTBXCRYYLI-UHFFFAOYSA-N 0 3 270.332 2.004 20 30 CEEDHN CC#CCN(C)CCC(=O)N1CCCc2ccccc21 ZINC000293100656 377427913 /nfs/dbraw/zinc/42/79/13/377427913.db2.gz LAUGWQYRSSGRQJ-UHFFFAOYSA-N 0 3 270.376 2.311 20 30 CEEDHN COC(=O)[C@@]1(c2ccccc2)CCN(CCCC#N)C1 ZINC000428788119 377501736 /nfs/dbraw/zinc/50/17/36/377501736.db2.gz WBGDOTHGUMIHLG-INIZCTEOSA-N 0 3 272.348 2.107 20 30 CEEDHN C=CCC1(C(=O)NCCN2CC[C@H](C)C2)CCC1 ZINC000564788157 377454264 /nfs/dbraw/zinc/45/42/64/377454264.db2.gz IZFAQZQKKXVDHT-ZDUSSCGKSA-N 0 3 250.386 2.191 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccc(O)cc1)CC1CC1 ZINC000427881320 377461732 /nfs/dbraw/zinc/46/17/32/377461732.db2.gz YSZUQAWLVFRKFQ-NSHDSACASA-N 0 3 258.321 2.290 20 30 CEEDHN C[C@@H](C(=O)NCC1(C#N)CCC1)N1[C@H](C)CC[C@H]1C ZINC000331626694 377487820 /nfs/dbraw/zinc/48/78/20/377487820.db2.gz RTVSNKSCKXFHKJ-UPJWGTAASA-N 0 3 263.385 2.058 20 30 CEEDHN C[C@@H](C(=O)NCC1(C#N)CCC1)N1[C@H](C)CC[C@@H]1C ZINC000331626741 377488716 /nfs/dbraw/zinc/48/87/16/377488716.db2.gz RTVSNKSCKXFHKJ-XQQFMLRXSA-N 0 3 263.385 2.058 20 30 CEEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2ncncc2C#N)C1 ZINC000564892104 377491081 /nfs/dbraw/zinc/49/10/81/377491081.db2.gz GQYGPLDRKCHVMX-CJNGLKHVSA-N 0 3 293.374 2.018 20 30 CEEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ncncc2C#N)C1 ZINC000564892102 377491264 /nfs/dbraw/zinc/49/12/64/377491264.db2.gz GQYGPLDRKCHVMX-BBRMVZONSA-N 0 3 293.374 2.018 20 30 CEEDHN CNC(=O)[C@H]1CCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000429794921 377522701 /nfs/dbraw/zinc/52/27/01/377522701.db2.gz XYBHRPKYCVXKCU-LSDHHAIUSA-N 0 3 290.794 2.196 20 30 CEEDHN Cc1ccn2c(CNCC3(CC#N)CC3)cnc2c1 ZINC000430021073 377523925 /nfs/dbraw/zinc/52/39/25/377523925.db2.gz ITSSGLGLKBYFGV-UHFFFAOYSA-N 0 3 254.337 2.426 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1C#N ZINC000265241382 190168707 /nfs/dbraw/zinc/16/87/07/190168707.db2.gz TZASLGLNHPRKNA-GFCCVEGCSA-N 0 3 288.351 2.244 20 30 CEEDHN N#C[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)C1CCCCC1 ZINC000332878700 377716478 /nfs/dbraw/zinc/71/64/78/377716478.db2.gz ZNRFPFVVWNMXLS-CVEARBPZSA-N 0 3 289.423 2.449 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CC(=O)N3CCCC[C@H]13)CC2 ZINC000566885571 377778633 /nfs/dbraw/zinc/77/86/33/377778633.db2.gz XJHWHWKLHSXDOW-IXDOHACOSA-N 0 3 295.386 2.289 20 30 CEEDHN C=CCCC[C@H](C)N1CCC[C@H](CS(C)(=O)=O)C1 ZINC000433053037 377780068 /nfs/dbraw/zinc/78/00/68/377780068.db2.gz OQXJRGIZTFDQLM-KBPBESRZSA-N 0 3 273.442 2.488 20 30 CEEDHN C=C(C)COCCNCc1ccc(-c2cc[nH]n2)o1 ZINC000433336150 377789167 /nfs/dbraw/zinc/78/91/67/377789167.db2.gz SXMKRVDAMBKSBH-UHFFFAOYSA-N 0 3 261.325 2.352 20 30 CEEDHN C=CCSCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433608445 377791015 /nfs/dbraw/zinc/79/10/15/377791015.db2.gz KOUNEBGPUIUIAO-CQSZACIVSA-N 0 3 297.468 2.222 20 30 CEEDHN CCN(CC(C)(C)O)C(=O)C(C#N)CCc1ccccc1 ZINC000433368219 377792132 /nfs/dbraw/zinc/79/21/32/377792132.db2.gz WHHYQBZPBDTQSD-OAHLLOKOSA-N 0 3 288.391 2.378 20 30 CEEDHN C=CC[C@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433917881 377793196 /nfs/dbraw/zinc/79/31/96/377793196.db2.gz HAESJYVRBOJTDF-JSGCOSHPSA-N 0 3 265.401 2.267 20 30 CEEDHN CC(C)[C@@]1(CO)CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000294007507 377867963 /nfs/dbraw/zinc/86/79/63/377867963.db2.gz MQMXMNNVDHZKQH-INIZCTEOSA-N 0 3 275.396 2.127 20 30 CEEDHN C=C(C)COCCNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000439782928 377927638 /nfs/dbraw/zinc/92/76/38/377927638.db2.gz NWBAZZVNXGLVFL-OAHLLOKOSA-N 0 3 280.412 2.102 20 30 CEEDHN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)C(C)C#N ZINC000440039447 377929064 /nfs/dbraw/zinc/92/90/64/377929064.db2.gz XCYAUYFCQORZIP-XJKSGUPXSA-N 0 3 274.364 2.336 20 30 CEEDHN C=CCSCCNCc1cc(C(F)(F)F)n[nH]1 ZINC000440618746 377930655 /nfs/dbraw/zinc/93/06/55/377930655.db2.gz WLKDSQNPQXUFEA-UHFFFAOYSA-N 0 3 265.304 2.437 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](C)c1cccc(F)c1 ZINC000294115361 377910741 /nfs/dbraw/zinc/91/07/41/377910741.db2.gz ZHRWDADTOVSWQM-CYBMUJFWSA-N 0 3 276.355 2.001 20 30 CEEDHN CO[C@@H](CNCc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000294679589 378008537 /nfs/dbraw/zinc/00/85/37/378008537.db2.gz BKRZJCHPDBAUQX-QGZVFWFLSA-N 0 3 283.375 2.244 20 30 CEEDHN CC(=O)NCCCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000442675245 377979801 /nfs/dbraw/zinc/97/98/01/377979801.db2.gz GAGHKURPQAKAOY-GFCCVEGCSA-N 0 3 259.353 2.077 20 30 CEEDHN Cc1cccc(OC[C@H](O)CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442795511 377997351 /nfs/dbraw/zinc/99/73/51/377997351.db2.gz UIMLVBSRKTUQJS-QLFBSQMISA-N 0 3 274.364 2.017 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2cccc(-n3cncn3)c2)C1 ZINC000442800167 377998761 /nfs/dbraw/zinc/99/87/61/377998761.db2.gz YZSOYJLHEBUZJN-JSGCOSHPSA-N 0 3 267.336 2.049 20 30 CEEDHN N#Cc1ccnc(NCC2CCN(c3ccncc3)CC2)n1 ZINC000295035930 378035813 /nfs/dbraw/zinc/03/58/13/378035813.db2.gz NNISEXKYJRBTEG-UHFFFAOYSA-N 0 3 294.362 2.072 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(CF)CC1 ZINC000295096703 378041127 /nfs/dbraw/zinc/04/11/27/378041127.db2.gz GNPLHSZADIRSQA-ZDUSSCGKSA-N 0 3 268.376 2.257 20 30 CEEDHN CS[C@H](CO)[C@@H](C)NCc1ccc(C#N)c(C)c1 ZINC000443996652 378074024 /nfs/dbraw/zinc/07/40/24/378074024.db2.gz VFXGDBCQOIUVDZ-BXUZGUMPSA-N 0 3 264.394 2.069 20 30 CEEDHN CC(C)[C@H]1CCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000444774347 378080062 /nfs/dbraw/zinc/08/00/62/378080062.db2.gz VXYKQOVVOZMYAQ-GOEBONIOSA-N 0 3 279.428 2.409 20 30 CEEDHN CC[C@@H]1CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000446712330 378086248 /nfs/dbraw/zinc/08/62/48/378086248.db2.gz QOKMPPRMBXHXGL-NFAWXSAZSA-N 0 3 265.401 2.161 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](C(C)C)C1 ZINC000446731460 378086613 /nfs/dbraw/zinc/08/66/13/378086613.db2.gz IKVPWKWTWAZTQJ-CQSZACIVSA-N 0 3 252.402 2.389 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](O)CC(C)(C)C1 ZINC000295427757 378151845 /nfs/dbraw/zinc/15/18/45/378151845.db2.gz JAWHJTLAXMZPNH-CABCVRRESA-N 0 3 294.439 2.058 20 30 CEEDHN C=CCOc1ccc(CN(CCO)[C@H]2CCO[C@@H]2C)cc1 ZINC000449680665 378219742 /nfs/dbraw/zinc/21/97/42/378219742.db2.gz UUDMFMSMUAFBMK-PBHICJAKSA-N 0 3 291.391 2.223 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccc(-c2cc[nH]n2)o1 ZINC000449702334 378221558 /nfs/dbraw/zinc/22/15/58/378221558.db2.gz YXFLIYDKYJPOPH-LLVKDONJSA-N 0 3 261.325 2.086 20 30 CEEDHN C=CCOc1ccc(CC(=O)NCCN2CCCC2)cc1 ZINC000448603797 378175710 /nfs/dbraw/zinc/17/57/10/378175710.db2.gz GDLHNDCGAHNRHC-UHFFFAOYSA-N 0 3 288.391 2.006 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000448703562 378180954 /nfs/dbraw/zinc/18/09/54/378180954.db2.gz BYBXQWSYPFKERM-CHWSQXEVSA-N 0 3 252.402 2.435 20 30 CEEDHN C=C(CC)CNCc1c(C)nc2sc(C)nn21 ZINC000449731329 378225489 /nfs/dbraw/zinc/22/54/89/378225489.db2.gz IAZYRLBWQPRCLJ-UHFFFAOYSA-N 0 3 250.371 2.463 20 30 CEEDHN CN1CCC[C@@H]1CNc1ncc(Br)cc1C#N ZINC000295591239 378226057 /nfs/dbraw/zinc/22/60/57/378226057.db2.gz SUNOJIYOXVOHPM-LLVKDONJSA-N 0 3 295.184 2.222 20 30 CEEDHN C=CCc1cc(CN2C[C@H](C)C[C@H](O)C2)cc(OC)c1O ZINC000449764906 378228777 /nfs/dbraw/zinc/22/87/77/378228777.db2.gz FGYOTFJDSILLQJ-DOMZBBRYSA-N 0 3 291.391 2.332 20 30 CEEDHN C=C[C@@H](C)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000450095397 378290441 /nfs/dbraw/zinc/29/04/41/378290441.db2.gz AGKFKVBUTLGNRH-TZMCWYRMSA-N 0 3 250.386 2.474 20 30 CEEDHN C=CCC1(C(=O)NC[C@@H]2CCCN2C)CCCC1 ZINC000449826176 378235616 /nfs/dbraw/zinc/23/56/16/378235616.db2.gz QWNACELJXGRAML-ZDUSSCGKSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CC(C)(C)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000450118766 378299382 /nfs/dbraw/zinc/29/93/82/378299382.db2.gz BBKDIGFBUPRHNL-OKILXGFUSA-N 0 3 282.428 2.204 20 30 CEEDHN C[C@@H](NCC#Cc1ccc(Cl)cc1)[C@H](C)CO ZINC000295858865 378332168 /nfs/dbraw/zinc/33/21/68/378332168.db2.gz YBSYJSRHMCRFAZ-VXGBXAGGSA-N 0 3 251.757 2.298 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(CC)Cc1cccs1 ZINC000296769389 378642185 /nfs/dbraw/zinc/64/21/85/378642185.db2.gz GGXRIOUBIQHXCO-UHFFFAOYSA-N 0 3 293.436 2.235 20 30 CEEDHN CCCCN(CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000298492204 378744099 /nfs/dbraw/zinc/74/40/99/378744099.db2.gz XQXBUOHUJKEBCR-UHFFFAOYSA-N 0 3 285.391 2.439 20 30 CEEDHN C[C@H]1CCC(C)(C)N1CC(=O)NCc1cccc(C#N)c1 ZINC000452000007 378726188 /nfs/dbraw/zinc/72/61/88/378726188.db2.gz BDVVQFSXNHQUIO-ZDUSSCGKSA-N 0 3 285.391 2.437 20 30 CEEDHN C[C@@H](NC[C@@]1(C)CCC(=O)N1)c1ccc(C#N)c(F)c1 ZINC000453407037 378890826 /nfs/dbraw/zinc/89/08/26/378890826.db2.gz GGXRDFMLXXOCPP-MEBBXXQBSA-N 0 3 275.327 2.017 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)[C@H]1CCN(C2CC2)C1 ZINC000347244338 218167071 /nfs/dbraw/zinc/16/70/71/218167071.db2.gz VKWDFSWQMIDJFW-INIZCTEOSA-N 0 3 285.391 2.235 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CSC[C@H]1C ZINC000507246586 379099381 /nfs/dbraw/zinc/09/93/81/379099381.db2.gz JPCUOJPGPXCESG-AGIUHOORSA-N 0 3 270.442 2.141 20 30 CEEDHN Cc1nnc(N[C@H]2CCN(C3CCCC3)C2)c(C#N)c1C ZINC000301163242 379207761 /nfs/dbraw/zinc/20/77/61/379207761.db2.gz BGFWSLGKIDPHBO-ZDUSSCGKSA-N 0 3 285.395 2.394 20 30 CEEDHN CC[C@H](NC[C@H](COC)OC)c1ccc(C#N)cc1 ZINC000278866846 194190004 /nfs/dbraw/zinc/19/00/04/194190004.db2.gz WQWQFGKCJLHAAO-CABCVRRESA-N 0 3 262.353 2.260 20 30 CEEDHN C[C@H]1CCN(CCOCCC#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000516178672 379263999 /nfs/dbraw/zinc/26/39/99/379263999.db2.gz CEOFXUDRVVAECM-KBPBESRZSA-N 0 3 296.411 2.216 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(F)c(C#N)c1 ZINC000278933893 194218415 /nfs/dbraw/zinc/21/84/15/194218415.db2.gz TWKMSGVVWLKQLN-GFCCVEGCSA-N 0 3 289.354 2.302 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cncc(CC)c2)CC1 ZINC000278961469 194231888 /nfs/dbraw/zinc/23/18/88/194231888.db2.gz DZNJNYJBQFPSHZ-UHFFFAOYSA-N 0 3 273.380 2.024 20 30 CEEDHN C[C@H]1COCCN1C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000518674289 379401634 /nfs/dbraw/zinc/40/16/34/379401634.db2.gz REWOSWCWAPWRDQ-HNNXBMFYSA-N 0 3 299.418 2.243 20 30 CEEDHN C[C@H]1C[C@H](N(C)C(=O)NCC#Cc2ccccc2)CCN1C ZINC000266694188 190275799 /nfs/dbraw/zinc/27/57/99/190275799.db2.gz UYUMULHDBZJTCZ-DOTOQJQBSA-N 0 3 299.418 2.162 20 30 CEEDHN C[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C(C)(C)C1 ZINC000266913256 190290124 /nfs/dbraw/zinc/29/01/24/190290124.db2.gz DUWQQZQCHXLORD-CYBMUJFWSA-N 0 3 285.391 2.295 20 30 CEEDHN COC(=O)CC1(NCc2ccc(C#N)cc2)CCC1 ZINC000347682073 218320193 /nfs/dbraw/zinc/32/01/93/218320193.db2.gz MITAVOLOQKLYNB-UHFFFAOYSA-N 0 3 258.321 2.134 20 30 CEEDHN C=CCC[C@@H](O)CN1CCCN(c2nc(C)cs2)CC1 ZINC000305066416 379618467 /nfs/dbraw/zinc/61/84/67/379618467.db2.gz IAGJLRGMPWQWPP-CQSZACIVSA-N 0 3 295.452 2.291 20 30 CEEDHN Cc1ccc([C@@H](O)CNCc2ccc(C#N)s2)o1 ZINC000267168940 190308280 /nfs/dbraw/zinc/30/82/80/190308280.db2.gz HOBODCCKGYRRLR-LBPRGKRZSA-N 0 3 262.334 2.344 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ncccc2C)CC1 ZINC000267439319 190330508 /nfs/dbraw/zinc/33/05/08/190330508.db2.gz WQTZUFUYLHSXNW-UHFFFAOYSA-N 0 3 273.380 2.160 20 30 CEEDHN CN(C)C[C@@H]1CCCN1C(=O)/C=C/c1cccc(C#N)c1 ZINC000267442556 190331336 /nfs/dbraw/zinc/33/13/36/190331336.db2.gz CMKCSMGIMKFCQA-FDMDGMSGSA-N 0 3 283.375 2.124 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000528450595 379972935 /nfs/dbraw/zinc/97/29/35/379972935.db2.gz VNMFIUPARUMXTK-AWEZNQCLSA-N 0 3 294.439 2.347 20 30 CEEDHN C=CCOc1ccc(CN2C[C@H](O)C[C@@H]2C)cc1OC ZINC000471810823 380073196 /nfs/dbraw/zinc/07/31/96/380073196.db2.gz PLCDDBQMKBHWNI-GXTWGEPZSA-N 0 3 277.364 2.215 20 30 CEEDHN CC[C@@H]1CN(CCCSCC#N)[C@@H](CC)CN1C(C)=O ZINC000472326802 380074158 /nfs/dbraw/zinc/07/41/58/380074158.db2.gz KWLISBVSNDXZBW-LSDHHAIUSA-N 0 3 297.468 2.355 20 30 CEEDHN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1CCCSCC#N ZINC000472326800 380074477 /nfs/dbraw/zinc/07/44/77/380074477.db2.gz KWLISBVSNDXZBW-GJZGRUSLSA-N 0 3 297.468 2.355 20 30 CEEDHN CCC(C#N)(CC)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000528653120 380042776 /nfs/dbraw/zinc/04/27/76/380042776.db2.gz VRSWUJDIEWMEPC-QWHCGFSZSA-N 0 3 265.401 2.257 20 30 CEEDHN C=CCCC[C@@H](C)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528778547 380092544 /nfs/dbraw/zinc/09/25/44/380092544.db2.gz KZACYUJJEPIKBK-MCIONIFRSA-N 0 3 271.426 2.383 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NCc1ccc(C#N)s1 ZINC000268153584 190381677 /nfs/dbraw/zinc/38/16/77/190381677.db2.gz XJGXQWCLRVQNGO-HZMBPMFUSA-N 0 3 261.394 2.192 20 30 CEEDHN C#CCCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000268346363 190396814 /nfs/dbraw/zinc/39/68/14/190396814.db2.gz ZUOOKNIKXCJIAM-KRWDZBQOSA-N 0 3 299.418 2.364 20 30 CEEDHN COC[C@@H]1CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000529923364 380190098 /nfs/dbraw/zinc/19/00/98/380190098.db2.gz BOYQVZWHKJZYGB-CVEARBPZSA-N 0 3 286.375 2.396 20 30 CEEDHN CN(C(=O)c1ccc(Cl)c(C#N)c1)C1CCN(C)CC1 ZINC000540881854 380258955 /nfs/dbraw/zinc/25/89/55/380258955.db2.gz GZKFUPONAOIZCP-UHFFFAOYSA-N 0 3 291.782 2.378 20 30 CEEDHN C#C[C@H](CCC)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000490739900 380260604 /nfs/dbraw/zinc/26/06/04/380260604.db2.gz LQEMAGXQOCGFLU-JKSUJKDBSA-N 0 3 279.343 2.159 20 30 CEEDHN C=CCCC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000279043347 194260927 /nfs/dbraw/zinc/26/09/27/194260927.db2.gz CSQNOOBETVZJGP-UHFFFAOYSA-N 0 3 266.297 2.365 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(C)CC(C)(C)OC)CC1 ZINC000532341003 380214626 /nfs/dbraw/zinc/21/46/26/380214626.db2.gz JUYODOORYBSMGJ-UHFFFAOYSA-N 0 3 297.443 2.093 20 30 CEEDHN C[C@H]1CCN(C)CCN1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000491866424 380365388 /nfs/dbraw/zinc/36/53/88/380365388.db2.gz INEHOANMSZXQQP-NPQIQWPPSA-N 0 3 283.375 2.124 20 30 CEEDHN N#CC(C(=O)c1cccnc1C1CC1)c1ccncn1 ZINC000544816202 380365473 /nfs/dbraw/zinc/36/54/73/380365473.db2.gz CYOFHIFIGSCIPY-LBPRGKRZSA-N 0 3 264.288 2.239 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000334473461 380461070 /nfs/dbraw/zinc/46/10/70/380461070.db2.gz LGLPIOBTLCNCQR-CMPLNLGQSA-N 0 3 277.755 2.195 20 30 CEEDHN C[C@H]1CCN(CCNC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000552068760 380681011 /nfs/dbraw/zinc/68/10/11/380681011.db2.gz KVRIBKCVHJPPTB-NSHDSACASA-N 0 3 291.782 2.283 20 30 CEEDHN CC[C@@H]1CN(C)CCN1Cc1ccc(OC)c(C#N)c1 ZINC000552132999 380687747 /nfs/dbraw/zinc/68/77/47/380687747.db2.gz SGPCOLYWNFQUOW-OAHLLOKOSA-N 0 3 273.380 2.093 20 30 CEEDHN OCC[C@@H]1CCC[C@@H]1NCC#Cc1ccc(F)cc1 ZINC000279177692 194319726 /nfs/dbraw/zinc/31/97/26/194319726.db2.gz CORMJWHJHSZERT-HOCLYGCPSA-N 0 3 261.340 2.318 20 30 CEEDHN N#CC1(CCN2CCC3(COC(=O)N3)CC2)CCCCC1 ZINC000496847892 381228961 /nfs/dbraw/zinc/22/89/61/381228961.db2.gz QDBVYIJXDQTAMZ-UHFFFAOYSA-N 0 3 291.395 2.425 20 30 CEEDHN N#Cc1ccc2c(c1)CCN2C(=O)C1CCN(C2CC2)CC1 ZINC000334847566 207179375 /nfs/dbraw/zinc/17/93/75/207179375.db2.gz NNEGCMBRPYLVSV-UHFFFAOYSA-N 0 3 295.386 2.322 20 30 CEEDHN C=CCOCCNCc1cccc2c1OCCCO2 ZINC000381735197 542355901 /nfs/dbraw/zinc/35/59/01/542355901.db2.gz NKZGTTZSOWTYPH-UHFFFAOYSA-N 0 3 263.337 2.140 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)NC1(CN(C)C)CCC1 ZINC000280969956 195052351 /nfs/dbraw/zinc/05/23/51/195052351.db2.gz ACMHEDYHVQIBGJ-UHFFFAOYSA-N 0 3 271.364 2.081 20 30 CEEDHN C[C@@H](NC(=O)C12CCCN1CCC2)c1ccc(C#N)cc1 ZINC000289408456 197332734 /nfs/dbraw/zinc/33/27/34/197332734.db2.gz GOXOEGVREZLPMA-CYBMUJFWSA-N 0 3 283.375 2.364 20 30 CEEDHN C[C@H](CNc1nc2cc(Cl)ccn2c1C#N)N(C)C ZINC000288241401 197034385 /nfs/dbraw/zinc/03/43/85/197034385.db2.gz DRJNNSHSHAAATP-SECBINFHSA-N 0 3 277.759 2.221 20 30 CEEDHN C[C@H]1[C@@H](Nc2nccnc2C#N)CCN1Cc1ccccc1 ZINC000288223671 197030209 /nfs/dbraw/zinc/03/02/09/197030209.db2.gz MUPDIJIXUIYVPE-ZFWWWQNUSA-N 0 3 293.374 2.423 20 30 CEEDHN CN(CCCCC(C)(C)C#N)C[C@@H]1CCS(=O)(=O)C1 ZINC000336806102 262395822 /nfs/dbraw/zinc/39/58/22/262395822.db2.gz GITUDODYSUQWFK-ZDUSSCGKSA-N 0 3 286.441 2.073 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1C[C@@H](C)CC(C)(C)C1 ZINC000336051967 533239307 /nfs/dbraw/zinc/23/93/07/533239307.db2.gz CMMXLRKADRBDBI-STQMWFEESA-N 0 3 277.412 2.305 20 30 CEEDHN COC[C@H](N[C@@H](C)c1cccc(C#N)c1)[C@@H]1CCCO1 ZINC000278703552 285408104 /nfs/dbraw/zinc/40/81/04/285408104.db2.gz JQPAYSZTAPSZEQ-RCBQFDQVSA-N 0 3 274.364 2.403 20 30 CEEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000345037229 533494277 /nfs/dbraw/zinc/49/42/77/533494277.db2.gz QGZLKTOALGNCSH-OLZOCXBDSA-N 0 3 271.364 2.288 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)CCC#N)CCN1C ZINC000353639324 533616038 /nfs/dbraw/zinc/61/60/38/533616038.db2.gz QULMFLSFDBIIMY-OLZOCXBDSA-N 0 3 280.416 2.098 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCC[C@H](OC)C2)CC1 ZINC000355658619 394491796 /nfs/dbraw/zinc/49/17/96/394491796.db2.gz LQNNAVDVRMXWED-ZBFHGGJFSA-N 0 3 294.439 2.348 20 30 CEEDHN CC(C#N)C(=O)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000355670809 394495817 /nfs/dbraw/zinc/49/58/17/394495817.db2.gz GLWKUQVLEGACHY-ZFWWWQNUSA-N 0 3 272.348 2.006 20 30 CEEDHN CC1(NC(=O)N[C@H]2CCc3[nH]cnc3C2)CCCC1 ZINC000329547590 394571863 /nfs/dbraw/zinc/57/18/63/394571863.db2.gz HMLAEDRUKVUNGZ-JTQLQIEISA-N 0 3 262.357 2.103 20 30 CEEDHN CC1(NC(=O)N[C@H]2CCc3nc[nH]c3C2)CCCC1 ZINC000329547590 394571865 /nfs/dbraw/zinc/57/18/65/394571865.db2.gz HMLAEDRUKVUNGZ-JTQLQIEISA-N 0 3 262.357 2.103 20 30 CEEDHN Cc1nc(C)c(C(=O)N[C@H](C)C2=CCN(C)CC2)o1 ZINC000329718940 394580876 /nfs/dbraw/zinc/58/08/76/394580876.db2.gz ZQMZSWGHJLDMHV-SECBINFHSA-N 0 3 263.341 2.246 20 30 CEEDHN CC(C)CN1CCN(Cc2cccc(C#N)c2)CC1 ZINC000048695293 394522571 /nfs/dbraw/zinc/52/25/71/394522571.db2.gz WTXLBIKTVGGIFS-UHFFFAOYSA-N 0 3 257.381 2.332 20 30 CEEDHN C=C(Br)CN[C@@]1(C)CCO[C@H]1C1CC1 ZINC000308672538 394530786 /nfs/dbraw/zinc/53/07/86/394530786.db2.gz VLYVAKDEVCNPDV-QWRGUYRKSA-N 0 3 260.175 2.442 20 30 CEEDHN CC(C)N(C)CC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000049399150 394546334 /nfs/dbraw/zinc/54/63/34/394546334.db2.gz NAJWLLNHXLDXIZ-GFCCVEGCSA-N 0 3 259.353 2.076 20 30 CEEDHN C[C@H]1CN(c2nccnc2C#N)CCN1C[C@H]1CC=CCC1 ZINC000091936548 394659328 /nfs/dbraw/zinc/65/93/28/394659328.db2.gz QYMJZNODXAHDEB-GJZGRUSLSA-N 0 3 297.406 2.215 20 30 CEEDHN C[C@@H]1[C@H](C)OCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000330453410 394611612 /nfs/dbraw/zinc/61/16/12/394611612.db2.gz LIQUNSLMVVWSGQ-IJEWVQPXSA-N 0 3 286.375 2.395 20 30 CEEDHN C#C[C@H](NC(=N)Nc1cc(F)ccc1F)C(C)C ZINC000262327486 394616218 /nfs/dbraw/zinc/61/62/18/394616218.db2.gz XHXGPACEKGLOAS-NSHDSACASA-N 0 3 251.280 2.349 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H](C)C[C@H]2CCCO2)CC1 ZINC000330662040 394624511 /nfs/dbraw/zinc/62/45/11/394624511.db2.gz WALBMJIPEWSVSL-UKRRQHHQSA-N 0 3 295.427 2.098 20 30 CEEDHN C[C@@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000263730933 394630818 /nfs/dbraw/zinc/63/08/18/394630818.db2.gz PVEGKEBPXZHOTD-IUODEOHRSA-N 0 3 269.348 2.005 20 30 CEEDHN CC(C)CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000105791398 394722860 /nfs/dbraw/zinc/72/28/60/394722860.db2.gz SIFPEPVVYNQOOB-UHFFFAOYSA-N 0 3 261.344 2.475 20 30 CEEDHN Cc1c(Cl)cnc(NC2CCN(C)CC2)c1C#N ZINC000273037895 394781118 /nfs/dbraw/zinc/78/11/18/394781118.db2.gz OHILKKMHVYWWIR-UHFFFAOYSA-N 0 3 264.760 2.421 20 30 CEEDHN CCC[C@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000120822435 394785794 /nfs/dbraw/zinc/78/57/94/394785794.db2.gz FJSGXRMBJCSOBL-HNNXBMFYSA-N 0 3 290.411 2.154 20 30 CEEDHN Cc1csc(C(C#N)C(=O)Nc2ccccn2)n1 ZINC000121703432 394803060 /nfs/dbraw/zinc/80/30/60/394803060.db2.gz JKRKIKDUEGSBID-SECBINFHSA-N 0 3 258.306 2.092 20 30 CEEDHN CC(C#N)C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000335909362 394810826 /nfs/dbraw/zinc/81/08/26/394810826.db2.gz CZXGGCDABCNGPK-RNCFNFMXSA-N 0 3 280.274 2.024 20 30 CEEDHN C[C@@H]1CN(CC#Cc2ccc(F)cc2)[C@@H](C)CN1C ZINC000335975375 394815598 /nfs/dbraw/zinc/81/55/98/394815598.db2.gz SDQSBXVILBRPFO-KGLIPLIRSA-N 0 3 260.356 2.202 20 30 CEEDHN CC(C)N(C)C(=O)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000336382143 394849838 /nfs/dbraw/zinc/84/98/38/394849838.db2.gz LKMZLGXDHCDKHO-DZGCQCFKSA-N 0 3 277.412 2.257 20 30 CEEDHN CCC1(CC)CN([C@H](C)C(=O)N(C)CCC#N)CCS1 ZINC000362249228 394850882 /nfs/dbraw/zinc/85/08/82/394850882.db2.gz ISKWZUBATYJTGK-CYBMUJFWSA-N 0 3 297.468 2.355 20 30 CEEDHN C=C[C@H](C)NC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000362378102 394857039 /nfs/dbraw/zinc/85/70/39/394857039.db2.gz BLPLTVAUCYJNKP-AVGNSLFASA-N 0 3 253.390 2.123 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N1CCCN(C2CC2)CC1)OCC ZINC000366814449 394953270 /nfs/dbraw/zinc/95/32/70/394953270.db2.gz LWXOHVDURLBZAH-OAHLLOKOSA-N 0 3 280.412 2.054 20 30 CEEDHN N#Cc1ccc(CNC2(CO)Cc3ccccc3C2)s1 ZINC000364378981 394895818 /nfs/dbraw/zinc/89/58/18/394895818.db2.gz LDCJTZQFUNLQPP-UHFFFAOYSA-N 0 3 284.384 2.239 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(C)C[C@@H]1CCCN(C)C1)OCC ZINC000339221898 394953901 /nfs/dbraw/zinc/95/39/01/394953901.db2.gz NYSWNUKKELSHJQ-CABCVRRESA-N 0 3 282.428 2.158 20 30 CEEDHN Cn1cc(CN2CCCC[C@@H]2Cn2cccn2)cc1C#N ZINC000365234034 394923560 /nfs/dbraw/zinc/92/35/60/394923560.db2.gz LVRPCQHBIHQBMC-OAHLLOKOSA-N 0 3 283.379 2.148 20 30 CEEDHN C=CCOCCN1CCN(CCc2ccccc2)CC1 ZINC000338890392 394932175 /nfs/dbraw/zinc/93/21/75/394932175.db2.gz PXMHPJQBBSAYEY-UHFFFAOYSA-N 0 3 274.408 2.049 20 30 CEEDHN CCc1oc(CNCCCCC#N)cc1C(=O)OC ZINC000338942247 394934066 /nfs/dbraw/zinc/93/40/66/394934066.db2.gz JINPJUXGGWXUOJ-UHFFFAOYSA-N 0 3 264.325 2.412 20 30 CEEDHN C=CCOCCNC1(C(=O)NCCCC)CCCCC1 ZINC000339038795 394938463 /nfs/dbraw/zinc/93/84/63/394938463.db2.gz AXZULXDQBVYXTG-UHFFFAOYSA-N 0 3 282.428 2.398 20 30 CEEDHN C=CCOCCN(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000339053688 394939350 /nfs/dbraw/zinc/93/93/50/394939350.db2.gz FWPFXPVMIDVDRB-ZIAGYGMSSA-N 0 3 271.426 2.176 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc[nH]c2C2CC2)CC1 ZINC000284151937 394941718 /nfs/dbraw/zinc/94/17/18/394941718.db2.gz XHNVACGCQVSHNS-UHFFFAOYSA-N 0 3 273.380 2.272 20 30 CEEDHN C#CC[C@@H](C)N[C@@H]1CCCc2c1cnn2-c1ncccn1 ZINC000366523328 394947138 /nfs/dbraw/zinc/94/71/38/394947138.db2.gz TVUGKMNNDBIISD-TZMCWYRMSA-N 0 3 281.363 2.041 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000284850654 394950453 /nfs/dbraw/zinc/95/04/53/394950453.db2.gz TZWKVLWTEDCFOD-ROUUACIJSA-N 0 3 288.435 2.172 20 30 CEEDHN C=CCOCCN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000339200031 394950651 /nfs/dbraw/zinc/95/06/51/394950651.db2.gz GBEIJYDTGWSRDH-UONOGXRCSA-N 0 3 251.370 2.223 20 30 CEEDHN C=CCSCCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000416010712 394997098 /nfs/dbraw/zinc/99/70/98/394997098.db2.gz OLFHXYXNFCKXIH-UHFFFAOYSA-N 0 3 277.393 2.331 20 30 CEEDHN C#CC(C)(C)N(C)CCc1nc2ccccc2n1C ZINC000286197023 395016489 /nfs/dbraw/zinc/01/64/89/395016489.db2.gz PVXXPKDCJWZPIT-UHFFFAOYSA-N 0 3 255.365 2.459 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000286213115 395017188 /nfs/dbraw/zinc/01/71/88/395017188.db2.gz YJSACLHEQQZLOB-RKVPGOIHSA-N 0 3 299.418 2.414 20 30 CEEDHN C#CC(C)(C)N(C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000286364590 395020857 /nfs/dbraw/zinc/02/08/57/395020857.db2.gz YKMUPGKZBIMZIT-AWEZNQCLSA-N 0 3 272.348 2.355 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H](C)c1c(C)cc(C)cc1O ZINC000285447833 394957847 /nfs/dbraw/zinc/95/78/47/394957847.db2.gz ZJMNYUVLPOILAX-ZDUSSCGKSA-N 0 3 297.420 2.260 20 30 CEEDHN C#CCN(CCC(=O)Nc1cc(C)on1)Cc1ccccc1 ZINC000285631741 394961352 /nfs/dbraw/zinc/96/13/52/394961352.db2.gz KUXJHGNMFZRYPD-UHFFFAOYSA-N 0 3 297.358 2.447 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000339530964 394963664 /nfs/dbraw/zinc/96/36/64/394963664.db2.gz PTMRULIJVSCKCO-QWHCGFSZSA-N 0 3 282.347 2.268 20 30 CEEDHN CC#CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000135579682 394966627 /nfs/dbraw/zinc/96/66/27/394966627.db2.gz UHPPLNFDKWDCKN-DOTOQJQBSA-N 0 3 299.418 2.220 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000285818427 394968339 /nfs/dbraw/zinc/96/83/39/394968339.db2.gz NQAVPGATAFQHPO-DGCLKSJQSA-N 0 3 287.363 2.159 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccco1)Cc1cccnc1 ZINC000339766757 394970501 /nfs/dbraw/zinc/97/05/01/394970501.db2.gz LOLAJFYHGFSFLQ-GFCCVEGCSA-N 0 3 269.304 2.363 20 30 CEEDHN C=CCCOCCNC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000339772096 394970544 /nfs/dbraw/zinc/97/05/44/394970544.db2.gz MPYHCXDGYRYXGR-GJZGRUSLSA-N 0 3 297.443 2.141 20 30 CEEDHN C=CCSCCNC(=O)Nc1ccccc1CNC ZINC000415921650 394979036 /nfs/dbraw/zinc/97/90/36/394979036.db2.gz MIZFOGDDSSPGIC-UHFFFAOYSA-N 0 3 279.409 2.447 20 30 CEEDHN CN(C)[C@@H](CC(=O)NCC1(C#N)CCC1)c1ccccc1 ZINC000416349410 395056787 /nfs/dbraw/zinc/05/67/87/395056787.db2.gz YMNCVXWKWHGTFN-HNNXBMFYSA-N 0 3 285.391 2.489 20 30 CEEDHN CC(C)OC[C@@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425529683 395061413 /nfs/dbraw/zinc/06/14/13/395061413.db2.gz CMDNOWAXZPGTJY-CJNGLKHVSA-N 0 3 276.380 2.337 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCN1CCO[C@@H](C)C1 ZINC000425529881 395061556 /nfs/dbraw/zinc/06/15/56/395061556.db2.gz CWSMJPJPTJPLHJ-GJZGRUSLSA-N 0 3 287.407 2.272 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCN1CCOC[C@H]1C ZINC000425529160 395061607 /nfs/dbraw/zinc/06/16/07/395061607.db2.gz ASWUTIQGIOGXKQ-CABCVRRESA-N 0 3 287.407 2.272 20 30 CEEDHN CO[C@H](CNC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000345609558 395070858 /nfs/dbraw/zinc/07/08/58/395070858.db2.gz IQSILLYQFVOPEH-JOYOIKCWSA-N 0 3 266.728 2.303 20 30 CEEDHN C=CCOc1cccc(NC(=O)[C@@H](N)CC(F)F)c1 ZINC000345730249 395074621 /nfs/dbraw/zinc/07/46/21/395074621.db2.gz XBTPKXAWFAENAE-NSHDSACASA-N 0 3 270.279 2.172 20 30 CEEDHN CCCN(CC(=O)N(CC)C[C@H](C)C#N)CC(C)C ZINC000346607363 395101782 /nfs/dbraw/zinc/10/17/82/395101782.db2.gz UMEPWZYXCHUDKQ-CQSZACIVSA-N 0 3 267.417 2.363 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)COc1ccc(F)cc1F ZINC000345765016 395075997 /nfs/dbraw/zinc/07/59/97/395075997.db2.gz ORNUUMCMCMBJMH-IUCAKERBSA-N 0 3 268.263 2.008 20 30 CEEDHN C=C(C)CN(CCN1CCNC1=O)Cc1ccccc1 ZINC000289536473 395080229 /nfs/dbraw/zinc/08/02/29/395080229.db2.gz WJBVNGRWADSZOQ-UHFFFAOYSA-N 0 3 273.380 2.090 20 30 CEEDHN N#CCc1ccc(CN2CCC(Cn3cncn3)CC2)cc1 ZINC000426802854 395080878 /nfs/dbraw/zinc/08/08/78/395080878.db2.gz YFAXCEODMQQHPB-UHFFFAOYSA-N 0 3 295.390 2.256 20 30 CEEDHN C[C@H](N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(C#N)s1 ZINC000374507833 395083237 /nfs/dbraw/zinc/08/32/37/395083237.db2.gz TWRHSXZWRPPCTI-UHTWSYAYSA-N 0 3 289.404 2.424 20 30 CEEDHN C[C@@H](CNC(=O)C1(C#N)CCC1)N1CCCC[C@@H]1C ZINC000345997595 395084306 /nfs/dbraw/zinc/08/43/06/395084306.db2.gz VNQWIIIQRMGIMS-STQMWFEESA-N 0 3 263.385 2.059 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](C)CC(=O)Nc1cccc(C)c1C ZINC000289817486 395088367 /nfs/dbraw/zinc/08/83/67/395088367.db2.gz OTRCRBKPBGFHPV-JSGCOSHPSA-N 0 3 276.380 2.157 20 30 CEEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(OC)c(OC)c1C ZINC000289940935 395091700 /nfs/dbraw/zinc/09/17/00/395091700.db2.gz VXGODFRJAWZYRL-NEPJUHHUSA-N 0 3 265.353 2.210 20 30 CEEDHN C#CCCN1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000375765944 395096887 /nfs/dbraw/zinc/09/68/87/395096887.db2.gz YUKVJPXKLGMVIF-AWEZNQCLSA-N 0 3 264.369 2.097 20 30 CEEDHN CC[C@]1(C)CCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346407530 395098166 /nfs/dbraw/zinc/09/81/66/395098166.db2.gz FVNSXGCCLUGQNK-GXTWGEPZSA-N 0 3 263.385 2.059 20 30 CEEDHN CC[C@@]1(C)CCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346407546 395098832 /nfs/dbraw/zinc/09/88/32/395098832.db2.gz FVNSXGCCLUGQNK-OCCSQVGLSA-N 0 3 263.385 2.059 20 30 CEEDHN COCCOCCCCNCc1ccc(C#N)cc1F ZINC000158091083 395037765 /nfs/dbraw/zinc/03/77/65/395037765.db2.gz ZOKCTFFQIFPMQX-UHFFFAOYSA-N 0 3 280.343 2.230 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)NCCN(C)C1CC1 ZINC000287310454 395037889 /nfs/dbraw/zinc/03/78/89/395037889.db2.gz ZYGHZIIURCANQC-INIZCTEOSA-N 0 3 299.418 2.014 20 30 CEEDHN C#CCC(CC#C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000287333772 395038186 /nfs/dbraw/zinc/03/81/86/395038186.db2.gz FYSOHFRPPXXBNJ-MRXNPFEDSA-N 0 3 296.414 2.286 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C ZINC000287326611 395038457 /nfs/dbraw/zinc/03/84/57/395038457.db2.gz OCIFGBMRCWFWFE-IRXDYDNUSA-N 0 3 286.419 2.323 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)CN(C)C(C)C ZINC000287397381 395040015 /nfs/dbraw/zinc/04/00/15/395040015.db2.gz RZMVQBRBCGNLRU-INIZCTEOSA-N 0 3 272.392 2.077 20 30 CEEDHN C[C@H](NCC(=O)NC1(C#N)CCC1)[C@@H](C)c1ccccc1 ZINC000346932471 395113390 /nfs/dbraw/zinc/11/33/90/395113390.db2.gz BDXMWBSFGJSKGL-KGLIPLIRSA-N 0 3 285.391 2.331 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCCCC(C)(C)C1 ZINC000346969855 395114660 /nfs/dbraw/zinc/11/46/60/395114660.db2.gz GDPYCYNTMMCWNZ-CYBMUJFWSA-N 0 3 277.412 2.449 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000346774106 395105345 /nfs/dbraw/zinc/10/53/45/395105345.db2.gz GPSUBUVTDBUUBX-PTRXPTGYSA-N 0 3 264.350 2.026 20 30 CEEDHN C=CCC[C@@H](CCC)NCc1nnnn1CC1CC1 ZINC000349352237 395166201 /nfs/dbraw/zinc/16/62/01/395166201.db2.gz HAPAVHARYAGPPR-CYBMUJFWSA-N 0 3 263.389 2.308 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@@H](C)[C@@H](O)C1 ZINC000349365392 395167255 /nfs/dbraw/zinc/16/72/55/395167255.db2.gz HONZMVBLMKSHGR-HIFRSBDPSA-N 0 3 261.365 2.454 20 30 CEEDHN C[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)[C@@H](C)[C@H]1C ZINC000514862975 395171847 /nfs/dbraw/zinc/17/18/47/395171847.db2.gz KXWYDIKKSUBJSQ-WOPDTQHZSA-N 0 3 269.352 2.077 20 30 CEEDHN C=CCCCCNC(=O)NC[C@H](N)c1ccccc1 ZINC000418023823 395171971 /nfs/dbraw/zinc/17/19/71/395171971.db2.gz CFTPKMRBMARMDB-AWEZNQCLSA-N 0 3 261.369 2.342 20 30 CEEDHN C#CCSCCNCc1cc(OC)ccc1F ZINC000293487489 395235746 /nfs/dbraw/zinc/23/57/46/395235746.db2.gz GHNSMGLPGQKGGI-UHFFFAOYSA-N 0 3 253.342 2.290 20 30 CEEDHN C=CCNC(=O)C(C)S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000350184095 395183350 /nfs/dbraw/zinc/18/33/50/395183350.db2.gz LTYYIAFUSKCOPA-TZMCWYRMSA-N 0 3 295.404 2.243 20 30 CEEDHN C[S@](=O)C[C@@H](NCCCSCC#N)c1ccccc1 ZINC000183098727 395251022 /nfs/dbraw/zinc/25/10/22/395251022.db2.gz VFTIMXSTJDMKAK-KUHUBIRLSA-N 0 3 296.461 2.343 20 30 CEEDHN CCCC[C@H](C)N(C)CC(=O)N(CCC#N)CCC#N ZINC000352409832 395251520 /nfs/dbraw/zinc/25/15/20/395251520.db2.gz MAZLVXKDYKHVED-AWEZNQCLSA-N 0 3 278.400 2.153 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc(C3CC3)n2)CC1 ZINC000293821353 395252080 /nfs/dbraw/zinc/25/20/80/395252080.db2.gz FKRHFKCAMARMRJ-UHFFFAOYSA-N 0 3 283.375 2.243 20 30 CEEDHN Cc1cc(CNCCOc2ccc(C#N)cc2)ccn1 ZINC000527670034 395279028 /nfs/dbraw/zinc/27/90/28/395279028.db2.gz ZRHAGVUZHZARMN-UHFFFAOYSA-N 0 3 267.332 2.430 20 30 CEEDHN Cc1cc(C#N)cc(NC[C@H]2CCN2C2CCCC2)n1 ZINC000528209087 395287123 /nfs/dbraw/zinc/28/71/23/395287123.db2.gz HPLNDQGXTRHJDQ-OAHLLOKOSA-N 0 3 270.380 2.112 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(F)cc1N(C)C ZINC000186714021 395294789 /nfs/dbraw/zinc/29/47/89/395294789.db2.gz PQJMQTIZAVFATR-DGCLKSJQSA-N 0 3 266.360 2.479 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000293882564 395256120 /nfs/dbraw/zinc/25/61/20/395256120.db2.gz CVIYZUKGZIUQOG-CQSZACIVSA-N 0 3 290.382 2.391 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(OCC(F)(F)F)cc1 ZINC000352465038 395256756 /nfs/dbraw/zinc/25/67/56/395256756.db2.gz BWCGAKWJIROSCN-LLVKDONJSA-N 0 3 275.270 2.264 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](C)Cc1cccc(F)c1 ZINC000293910617 395257910 /nfs/dbraw/zinc/25/79/10/395257910.db2.gz GBKBACPJEFZYKF-CQSZACIVSA-N 0 3 290.382 2.076 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(C)c1cccc(C#N)c1 ZINC000524959971 395261997 /nfs/dbraw/zinc/26/19/97/395261997.db2.gz RNIHSPLIDFOBRU-BETUJISGSA-N 0 3 271.364 2.394 20 30 CEEDHN C[C@H](C#N)CN(C)CCCCCN(C)C[C@H](C)C#N ZINC000354246044 395323699 /nfs/dbraw/zinc/32/36/99/395323699.db2.gz YHNJCMORBFIHRN-HUUCEWRRSA-N 0 3 264.417 2.340 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000412380431 395357642 /nfs/dbraw/zinc/35/76/42/395357642.db2.gz QZRATJRYNNOPBN-KHMAMNHCSA-N 0 3 280.412 2.098 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCS[C@@H](C)CC1 ZINC000192185315 395375726 /nfs/dbraw/zinc/37/57/26/395375726.db2.gz AZGMBBZCMDMVKF-KBPBESRZSA-N 0 3 282.453 2.403 20 30 CEEDHN C[C@@H](CNc1cncc(C#N)n1)N1CCCC[C@@H]1C ZINC000420583520 395380852 /nfs/dbraw/zinc/38/08/52/395380852.db2.gz JEIFWILCZJYVRF-RYUDHWBXSA-N 0 3 259.357 2.023 20 30 CEEDHN C[C@@H]1CCCC[C@H]1N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000192626631 395388745 /nfs/dbraw/zinc/38/87/45/395388745.db2.gz MGAXJGQVPMTHOZ-XPKDYRNWSA-N 0 3 277.412 2.305 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NCc2ccccc2OCCO)C1 ZINC000192893921 395395270 /nfs/dbraw/zinc/39/52/70/395395270.db2.gz MTVUFXMXBWHZLL-UKRRQHHQSA-N 0 3 274.364 2.230 20 30 CEEDHN CC#CCN(C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000297170226 395335583 /nfs/dbraw/zinc/33/55/83/395335583.db2.gz ADFZFUXXVJYMDO-GDBMZVCRSA-N 0 3 287.407 2.343 20 30 CEEDHN C[C@H](NCCC#N)C1CCN(CC(F)(F)F)CC1 ZINC000411694884 395335732 /nfs/dbraw/zinc/33/57/32/395335732.db2.gz SAHMOPQMFKKBHC-JTQLQIEISA-N 0 3 263.307 2.152 20 30 CEEDHN C[C@H](C#N)CN(C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC000412211973 395352029 /nfs/dbraw/zinc/35/20/29/395352029.db2.gz IVYQWJTXQWJRTM-RFGFWPKPSA-N 0 3 277.412 2.398 20 30 CEEDHN N#Cc1csc(CN[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000531356315 395458486 /nfs/dbraw/zinc/45/84/86/395458486.db2.gz MIPIBGXUNBWEDR-JTQLQIEISA-N 0 3 289.326 2.346 20 30 CEEDHN CN(C)C[C@H]1CCCCN1C(=O)Cc1ccc(C#N)cc1 ZINC000195234140 395462212 /nfs/dbraw/zinc/46/22/12/395462212.db2.gz UORVTEOOANNGPA-MRXNPFEDSA-N 0 3 285.391 2.043 20 30 CEEDHN Cc1cc(CN[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1C#N ZINC000444001390 395410449 /nfs/dbraw/zinc/41/04/49/395410449.db2.gz YDWZQADMYIWQGY-HNNXBMFYSA-N 0 3 285.391 2.356 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C)[C@H](C)[C@H]1C ZINC000573549350 395610607 /nfs/dbraw/zinc/61/06/07/395610607.db2.gz UKXYTTGIUJFRIZ-MELADBBJSA-N 0 3 252.402 2.387 20 30 CEEDHN CC[C@@H]1CN(CC)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000449567297 395555320 /nfs/dbraw/zinc/55/53/20/395555320.db2.gz VHJVNOHLKCDSCR-OAHLLOKOSA-N 0 3 297.406 2.122 20 30 CEEDHN CO[C@H]([C@H](C)NCc1cnc2ccc(C#N)cn12)C1CC1 ZINC000449631183 395557807 /nfs/dbraw/zinc/55/78/07/395557807.db2.gz OIQXKWOQBKDEJW-MEDUHNTESA-N 0 3 284.363 2.109 20 30 CEEDHN CS[C@@H]1CN(CC2(C#N)CCC2)C[C@@H]1N1CCCC1 ZINC000450737293 395575566 /nfs/dbraw/zinc/57/55/66/395575566.db2.gz KXOHTTPSBVTOII-UONOGXRCSA-N 0 3 279.453 2.192 20 30 CEEDHN COc1ccc(C[C@@H](C)CNCCC#N)cc1OC ZINC000569803415 395580670 /nfs/dbraw/zinc/58/06/70/395580670.db2.gz SXTNJECCGXHVAB-GFCCVEGCSA-N 0 3 262.353 2.386 20 30 CEEDHN CCc1nc(C#N)cc(NCCN2[C@@H](C)CCC[C@@H]2C)n1 ZINC000596120078 395666533 /nfs/dbraw/zinc/66/65/33/395666533.db2.gz HHFAQPPVOLVUFJ-STQMWFEESA-N 0 3 287.411 2.007 20 30 CEEDHN CC(C)[C@H]1CN(c2c(C#N)nnc3ccccc32)CCN1C ZINC000487102945 395667058 /nfs/dbraw/zinc/66/70/58/395667058.db2.gz UYOAMODTRJHUOI-MRXNPFEDSA-N 0 3 295.390 2.278 20 30 CEEDHN Cc1cc(CN2CCC(c3nncn3C)CC2)ccc1C#N ZINC000487901774 395667580 /nfs/dbraw/zinc/66/75/80/395667580.db2.gz YXJKUCLLHLZVMX-UHFFFAOYSA-N 0 3 295.390 2.375 20 30 CEEDHN Cc1cc(CN2CCC(n3cncn3)CC2)ccc1C#N ZINC000487923444 395667722 /nfs/dbraw/zinc/66/77/22/395667722.db2.gz YWTFQHHOLCWSQS-UHFFFAOYSA-N 0 3 281.363 2.295 20 30 CEEDHN COCCN(Cc1cccc(C#N)c1)[C@@H]1CCO[C@@H]1C ZINC000489442801 395668546 /nfs/dbraw/zinc/66/85/46/395668546.db2.gz WPEMOODZOOFCHY-CZUORRHYSA-N 0 3 274.364 2.184 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000491738535 395670619 /nfs/dbraw/zinc/67/06/19/395670619.db2.gz RGFYYVILOCNIFG-DZGCQCFKSA-N 0 3 262.397 2.312 20 30 CEEDHN C=CCC1(C(=O)NCCN2CCC(OC)CC2)CCCC1 ZINC000649088961 396062892 /nfs/dbraw/zinc/06/28/92/396062892.db2.gz XOLPVIJLMPUCMO-UHFFFAOYSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CCCCCN1CCN(C[C@H]2CCCO2)CC1 ZINC000649224086 396094910 /nfs/dbraw/zinc/09/49/10/396094910.db2.gz OPGRFFAPDZSMAM-OAHLLOKOSA-N 0 3 252.402 2.139 20 30 CEEDHN C=CCNC(=O)CN1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000646049257 396277702 /nfs/dbraw/zinc/27/77/02/396277702.db2.gz BMFHFYNQBHXGBA-KGLIPLIRSA-N 0 3 264.413 2.437 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N[C@H](C)CN1CCCCC1)OCC ZINC000339422329 400363535 /nfs/dbraw/zinc/36/35/35/400363535.db2.gz KDGGDNXMDUWFSZ-HUUCEWRRSA-N 0 3 282.428 2.348 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N[C@@H](C)CN1CCCCC1)OCC ZINC000339422332 400363740 /nfs/dbraw/zinc/36/37/40/400363740.db2.gz KDGGDNXMDUWFSZ-LSDHHAIUSA-N 0 3 282.428 2.348 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC000345937348 400369863 /nfs/dbraw/zinc/36/98/63/400369863.db2.gz OZHHJFFMPSIKMV-JKSUJKDBSA-N 0 3 294.439 2.204 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)c1cscc1C#N ZINC000432710542 400576279 /nfs/dbraw/zinc/57/62/79/400576279.db2.gz TYVFAUYVNZZPBE-NSHDSACASA-N 0 3 277.393 2.224 20 30 CEEDHN C[C@H](C(=O)NCCN1CCCCC1)c1cccc(C#N)c1 ZINC000360017089 155193088 /nfs/dbraw/zinc/19/30/88/155193088.db2.gz PNYMGWPEUZKAPQ-AWEZNQCLSA-N 0 3 285.391 2.264 20 30 CEEDHN N#Cc1ccc(OCCN2CCC(CCCO)CC2)cc1 ZINC000360090713 155213173 /nfs/dbraw/zinc/21/31/73/155213173.db2.gz YMLOWHOWXXQXNG-UHFFFAOYSA-N 0 3 288.391 2.422 20 30 CEEDHN C[C@@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)N(C)C1CC1 ZINC000360144877 155226958 /nfs/dbraw/zinc/22/69/58/155226958.db2.gz YDUIPNDWLSGWBW-STQMWFEESA-N 0 3 285.391 2.261 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC[C@@](C)(O)CC1 ZINC000230352633 153390937 /nfs/dbraw/zinc/39/09/37/153390937.db2.gz CRSGCSBZCDRENQ-MRXNPFEDSA-N 0 3 274.364 2.304 20 30 CEEDHN CCN(CC(=O)NCc1cccc(C#N)c1)CC(C)C ZINC000349120964 154310140 /nfs/dbraw/zinc/31/01/40/154310140.db2.gz UZHGDDVSXXFSEW-UHFFFAOYSA-N 0 3 273.380 2.152 20 30 CEEDHN Cn1cc(CNCc2cccc(-n3ccnc3)c2)cc1C#N ZINC000359744994 155126191 /nfs/dbraw/zinc/12/61/91/155126191.db2.gz CBTACFHSLDKPRT-UHFFFAOYSA-N 0 3 291.358 2.372 20 30 CEEDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000361756363 155665254 /nfs/dbraw/zinc/66/52/54/155665254.db2.gz UIWDJCXQUAJCIT-LSDHHAIUSA-N 0 3 287.363 2.044 20 30 CEEDHN N#Cc1ccc(C2=CCN(CC3(O)CCOCC3)CC2)cc1 ZINC000367215615 156151024 /nfs/dbraw/zinc/15/10/24/156151024.db2.gz JZKBKFSIJMJMSI-UHFFFAOYSA-N 0 3 298.386 2.189 20 30 CEEDHN CC(C)[C@@]1(CO)CCN(CCOc2ccc(C#N)cc2)C1 ZINC000368096675 156283767 /nfs/dbraw/zinc/28/37/67/156283767.db2.gz BMCGHKDKWDXLQA-KRWDZBQOSA-N 0 3 288.391 2.277 20 30 CEEDHN CC(C)[C@@]1(CO)CCN(Cc2cccc(C#N)c2)C1 ZINC000368099150 156284567 /nfs/dbraw/zinc/28/45/67/156284567.db2.gz MIFDTTGQPDEICA-INIZCTEOSA-N 0 3 258.365 2.399 20 30 CEEDHN CS[C@H](CO)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000181785046 286713167 /nfs/dbraw/zinc/71/31/67/286713167.db2.gz UWKGGWVUMYRPPB-MISXGVKJSA-N 0 3 264.394 2.321 20 30 CEEDHN C=CCN(C(=O)[C@H](C)[C@H](N)c1ccccc1)[C@H](C)COC ZINC000662855040 414774716 /nfs/dbraw/zinc/77/47/16/414774716.db2.gz QFKWTPFSHPFZTN-FMKPAKJESA-N 0 3 290.407 2.372 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2cc3cc[nH]c3cn2)CC1 ZINC000654135951 414854910 /nfs/dbraw/zinc/85/49/10/414854910.db2.gz KSPINZTTZDPJKJ-UHFFFAOYSA-N 0 3 299.378 2.335 20 30 CEEDHN C=CCCn1cc(CNC[C@H]2CCCO[C@H]2C(C)C)nn1 ZINC000657388222 414905911 /nfs/dbraw/zinc/90/59/11/414905911.db2.gz AFLGCMKFNNFWJQ-ZBFHGGJFSA-N 0 3 292.427 2.395 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCCc2ccco2)CC1 ZINC000660704772 414941089 /nfs/dbraw/zinc/94/10/89/414941089.db2.gz PLKPUVZYKZEYKV-UHFFFAOYSA-N 0 3 291.395 2.162 20 30 CEEDHN C=CCCn1cc(CN[C@@H](C)Cc2cccc(O)c2)nn1 ZINC000657346853 414874063 /nfs/dbraw/zinc/87/40/63/414874063.db2.gz JLKQRNGIQJLXRX-ZDUSSCGKSA-N 0 3 286.379 2.281 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](CCF)C2)CC1 ZINC000660703579 414941731 /nfs/dbraw/zinc/94/17/31/414941731.db2.gz DAGNFNZKEAXJCV-AWEZNQCLSA-N 0 3 297.418 2.418 20 30 CEEDHN C=CCCn1cc(CNCCN2CCCC[C@@H]2CC)nn1 ZINC000657359341 414885992 /nfs/dbraw/zinc/88/59/92/414885992.db2.gz UCCWGRBNPGDOMU-INIZCTEOSA-N 0 3 291.443 2.208 20 30 CEEDHN C=CCCNC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000660611266 414894979 /nfs/dbraw/zinc/89/49/79/414894979.db2.gz ITPDEYPLLWRSNP-CHWSQXEVSA-N 0 3 253.390 2.125 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654316905 414902958 /nfs/dbraw/zinc/90/29/58/414902958.db2.gz FEVSXNZGHQIZHC-BFYDXBDKSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCCn1cc(CN[C@H](C2CC2)C2CCOCC2)nn1 ZINC000657501110 414978737 /nfs/dbraw/zinc/97/87/37/414978737.db2.gz PJEDAIQLVNAXCJ-MRXNPFEDSA-N 0 3 290.411 2.149 20 30 CEEDHN C=CCCn1cc(CN[C@H](CC)C2CCOCC2)nn1 ZINC000653608877 415050535 /nfs/dbraw/zinc/05/05/35/415050535.db2.gz LNUGXBJYKZQSIE-OAHLLOKOSA-N 0 3 278.400 2.149 20 30 CEEDHN C=CCCC(C)(C)NC(=O)NC1CCN(CCOC)CC1 ZINC000663825487 415061656 /nfs/dbraw/zinc/06/16/56/415061656.db2.gz JLVYATCRDDZIME-UHFFFAOYSA-N 0 3 297.443 2.141 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000660890481 415022405 /nfs/dbraw/zinc/02/24/05/415022405.db2.gz VUGNOVMRYSSWOO-OJLVUWQFSA-N 0 3 289.423 2.362 20 30 CEEDHN C=CCN(CCO[C@H]1CCCCO1)[C@H](C)COC ZINC000661240849 415152224 /nfs/dbraw/zinc/15/22/24/415152224.db2.gz SHWUICOEHXZWLB-KGLIPLIRSA-N 0 3 257.374 2.053 20 30 CEEDHN C=C(CC)CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661293658 415185086 /nfs/dbraw/zinc/18/50/86/415185086.db2.gz ZBZCYYMXAHFVJI-LBPRGKRZSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCOc1ccc(CNC[C@](C)(CO)OC)cc1Cl ZINC000655809126 415487503 /nfs/dbraw/zinc/48/75/03/415487503.db2.gz RADBBRPRBXRFJC-OAHLLOKOSA-N 0 3 299.798 2.392 20 30 CEEDHN C=CCN([C@@H]1CCN(CC(F)(F)F)C1=O)C(C)(C)C ZINC000661756052 415444873 /nfs/dbraw/zinc/44/48/73/415444873.db2.gz AUQVLSOJGJGMRY-SNVBAGLBSA-N 0 3 278.318 2.436 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC([C@H]3CCCCO3)CC2)C1=O ZINC000661865266 415508885 /nfs/dbraw/zinc/50/88/85/415508885.db2.gz FUISUHQCRYVVQM-HZPDHXFCSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCC[C@H](O)CN1CC2(CCCC2)OC[C@H]1C ZINC000661982592 415557789 /nfs/dbraw/zinc/55/77/89/415557789.db2.gz QCASMVAPBLJCFW-KGLIPLIRSA-N 0 3 253.386 2.347 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N[C@H](C)CC ZINC000662080711 415616160 /nfs/dbraw/zinc/61/61/60/415616160.db2.gz QEJVTQVJSGDGQR-SYQHCUMBSA-N 0 3 250.386 2.473 20 30 CEEDHN C=CCS(=O)(=O)C(C)C(=O)N(CC)Cc1ccccc1 ZINC000071552896 176196769 /nfs/dbraw/zinc/19/67/69/176196769.db2.gz YVIRIBLTRNFJGO-ZDUSSCGKSA-N 0 3 295.404 2.024 20 30 CEEDHN C=CCN(C(=O)NC[C@@H]1CCN1C(C)(C)C)C1CC1 ZINC000665361032 415709971 /nfs/dbraw/zinc/70/99/71/415709971.db2.gz HTCWGFKXCCALMF-ZDUSSCGKSA-N 0 3 265.401 2.219 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC2CC1(C)C2 ZINC000662380247 415812391 /nfs/dbraw/zinc/81/23/91/415812391.db2.gz GENXZDWLMBYXEH-DNOWBOINSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCN(CC(F)(F)F)C(=O)c1cccc2c1CNC2 ZINC000662531375 415876755 /nfs/dbraw/zinc/87/67/55/415876755.db2.gz XUYOLMOVXDODAI-UHFFFAOYSA-N 0 3 284.281 2.480 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@H]1C1CCCCC1 ZINC000076749166 177084575 /nfs/dbraw/zinc/08/45/75/177084575.db2.gz PEAGFYPHFAMTLS-AWEZNQCLSA-N 0 3 293.411 2.043 20 30 CEEDHN CS(=O)(=O)[C@H]1CCC[C@H](NCc2cccc(C#N)c2)C1 ZINC000077456593 177271039 /nfs/dbraw/zinc/27/10/39/177271039.db2.gz RDHQAIZIKCKPGI-GJZGRUSLSA-N 0 3 292.404 2.004 20 30 CEEDHN CCN(Cc1cc(C#N)ccc1F)CC(C)(C)O ZINC000078748445 177381490 /nfs/dbraw/zinc/38/14/90/177381490.db2.gz WAHBCFUGAUPLEP-UHFFFAOYSA-N 0 3 250.317 2.290 20 30 CEEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C(C)C#N ZINC000344744757 225149067 /nfs/dbraw/zinc/14/90/67/225149067.db2.gz XTLJAFAYNWJHKE-UWVGGRQHSA-N 0 3 262.357 2.283 20 30 CEEDHN COc1ccc(C(C)(C)CNC(=O)C(C)C#N)cc1 ZINC000347042249 226025538 /nfs/dbraw/zinc/02/55/38/226025538.db2.gz UMGDCYKLIGNZLP-NSHDSACASA-N 0 3 260.337 2.249 20 30 CEEDHN CC(C#N)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000347123344 226033982 /nfs/dbraw/zinc/03/39/82/226033982.db2.gz NQQSEAYOVKQPEB-ZCFIWIBFSA-N 0 3 288.191 2.489 20 30 CEEDHN CC(C#N)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000347123343 226034120 /nfs/dbraw/zinc/03/41/20/226034120.db2.gz NQQSEAYOVKQPEB-LURJTMIESA-N 0 3 288.191 2.489 20 30 CEEDHN COc1ccc(CCNC(=O)C(C)C#N)cc1OC(F)F ZINC000347104565 226051512 /nfs/dbraw/zinc/05/15/12/226051512.db2.gz KJGWPGBUJBGFGE-VIFPVBQESA-N 0 3 298.289 2.115 20 30 CEEDHN COCCN(C(=O)C(C)C#N)[C@H](C)c1ccccc1 ZINC000347035013 226022545 /nfs/dbraw/zinc/02/25/45/226022545.db2.gz JVXVFVBPPVVUOU-QWHCGFSZSA-N 0 3 260.337 2.382 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000347038116 226023007 /nfs/dbraw/zinc/02/30/07/226023007.db2.gz ORMLJYDBSIKIPY-SECBINFHSA-N 0 3 286.253 2.404 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000347038118 226023050 /nfs/dbraw/zinc/02/30/50/226023050.db2.gz ORMLJYDBSIKIPY-VIFPVBQESA-N 0 3 286.253 2.404 20 30 CEEDHN C=CCNC(=O)CN(CCc1ccccc1)CC(C)C ZINC000521371479 260089428 /nfs/dbraw/zinc/08/94/28/260089428.db2.gz PUIFNAPQCLDWGF-UHFFFAOYSA-N 0 3 274.408 2.489 20 30 CEEDHN C#CC(C)(C)N(C)CCC(=O)N1CCc2sccc2C1 ZINC000298560843 260156466 /nfs/dbraw/zinc/15/64/66/260156466.db2.gz PLLBXYIOVQYGML-UHFFFAOYSA-N 0 3 290.432 2.367 20 30 CEEDHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)c1ccc(OCC#N)cc1 ZINC000129624204 260389936 /nfs/dbraw/zinc/38/99/36/260389936.db2.gz VZUJXSMWZDFLOW-GLQYFDAESA-N 0 3 274.364 2.399 20 30 CEEDHN C[C@@H]1C[C@]1(C#N)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000448776033 260958005 /nfs/dbraw/zinc/95/80/05/260958005.db2.gz DMHBIPKEFUKWCA-XJKCOSOUSA-N 0 3 277.412 2.163 20 30 CEEDHN C=CCN(C(=O)NC[C@@H]1N(C)CCCC1(C)C)C1CC1 ZINC000448252121 261063854 /nfs/dbraw/zinc/06/38/54/261063854.db2.gz LOLBMQZUPUIADW-AWEZNQCLSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCN(C(=O)NC[C@H]1N(C)CCCC1(C)C)C1CC1 ZINC000448252122 261064074 /nfs/dbraw/zinc/06/40/74/261064074.db2.gz LOLBMQZUPUIADW-CQSZACIVSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000448387203 261137874 /nfs/dbraw/zinc/13/78/74/261137874.db2.gz WZNFVZYLWUQRMB-ZIAGYGMSSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CCOCCCC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000361534430 261324552 /nfs/dbraw/zinc/32/45/52/261324552.db2.gz YLKSZAAGQZVZLZ-LSDHHAIUSA-N 0 3 282.428 2.348 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](C(C)(C)C)C1 ZINC000361552932 261331824 /nfs/dbraw/zinc/33/18/24/261331824.db2.gz NMBYTDQXZOXYDB-CHWSQXEVSA-N 0 3 252.402 2.435 20 30 CEEDHN CC[C@H](CC#N)N[C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000310114516 262094622 /nfs/dbraw/zinc/09/46/22/262094622.db2.gz BUVVRWQOXHCFAC-KXUCPTDWSA-N 0 3 250.264 2.378 20 30 CEEDHN CC#CCCN1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000364036469 262112411 /nfs/dbraw/zinc/11/24/11/262112411.db2.gz QUPFIYOAIWLAQL-CQSZACIVSA-N 0 3 262.353 2.296 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@](C)(c2ccccc2)C1 ZINC000364396702 262227723 /nfs/dbraw/zinc/22/77/23/262227723.db2.gz CVYPGCJIZRTLBJ-RHSMWYFYSA-N 0 3 272.392 2.341 20 30 CEEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000495784148 262306240 /nfs/dbraw/zinc/30/62/40/262306240.db2.gz FCZJODKOLSEVSC-VXGBXAGGSA-N 0 3 254.374 2.408 20 30 CEEDHN CC[C@@H]1[C@@H](C)CCN1CC(=O)NC1(C#N)CCCCC1 ZINC000185622612 262306280 /nfs/dbraw/zinc/30/62/80/262306280.db2.gz XZFFFLMHSFZXNB-UONOGXRCSA-N 0 3 277.412 2.449 20 30 CEEDHN N#CCc1ccc(OC[C@H](O)CN2CCC23CCC3)cc1 ZINC000336839595 262399546 /nfs/dbraw/zinc/39/95/46/262399546.db2.gz KGQCVMSXIJPFEX-OAHLLOKOSA-N 0 3 286.375 2.121 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](OC)[C@H](C)CC)CC1 ZINC000355660625 262422459 /nfs/dbraw/zinc/42/24/59/262422459.db2.gz NWRJNNWRRLNFFL-HIFRSBDPSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCN1CCC(NC(=O)C(C)(C)CSC)CC1 ZINC000337482529 262453941 /nfs/dbraw/zinc/45/39/41/262453941.db2.gz FQGJPOURFZSYGB-UHFFFAOYSA-N 0 3 270.442 2.142 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(CC#N)cc3)[C@@H]2C1 ZINC000272287822 263003235 /nfs/dbraw/zinc/00/32/35/263003235.db2.gz NRLVYFAKCKDPCG-GDBMZVCRSA-N 0 3 298.390 2.311 20 30 CEEDHN N#CCCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000273057081 263011886 /nfs/dbraw/zinc/01/18/86/263011886.db2.gz RZKXWVDZZJZFSI-UHFFFAOYSA-N 0 3 285.391 2.319 20 30 CEEDHN COc1ccc([C@H](CCC#N)NCC[C@@H](C)O)cc1 ZINC000273833654 263019672 /nfs/dbraw/zinc/01/96/72/263019672.db2.gz YTFIHQJASWDYRJ-DOMZBBRYSA-N 0 3 262.353 2.401 20 30 CEEDHN COc1ccc([C@@H](CCC#N)NCC[C@H](C)O)cc1 ZINC000273833660 263019848 /nfs/dbraw/zinc/01/98/48/263019848.db2.gz YTFIHQJASWDYRJ-SWLSCSKDSA-N 0 3 262.353 2.401 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(C#N)CCC1 ZINC000274151937 263021561 /nfs/dbraw/zinc/02/15/61/263021561.db2.gz DXXAYCJNYGYUSI-ZBFHGGJFSA-N 0 3 297.402 2.317 20 30 CEEDHN CCCCCCCCN1CCc2n[nH]c(=O)cc2C1 ZINC000274879782 263031376 /nfs/dbraw/zinc/03/13/76/263031376.db2.gz MVPHUIRPONUBQC-UHFFFAOYSA-N 0 3 263.385 2.489 20 30 CEEDHN Cn1ccnc1N1CCN(CCCCC(C)(C)C#N)CC1 ZINC000277822935 263043739 /nfs/dbraw/zinc/04/37/39/263043739.db2.gz VSZTZHTVRUOKSV-UHFFFAOYSA-N 0 3 289.427 2.262 20 30 CEEDHN Cn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000278443932 263048036 /nfs/dbraw/zinc/04/80/36/263048036.db2.gz WODJSVXHUQCLAO-KBXIAJHMSA-N 0 3 288.395 2.312 20 30 CEEDHN CS[C@@H](C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280277825 263060282 /nfs/dbraw/zinc/06/02/82/263060282.db2.gz YQIYUMLGKKKDSP-SMDDNHRTSA-N 0 3 287.388 2.108 20 30 CEEDHN CN1CC=C(CNC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000281116880 263066649 /nfs/dbraw/zinc/06/66/49/263066649.db2.gz HVXKLYHAXXFQMH-UHFFFAOYSA-N 0 3 297.402 2.479 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@H](c2cccs2)C[C@@H]1C ZINC000366616575 263076574 /nfs/dbraw/zinc/07/65/74/263076574.db2.gz BACSXJNPOKBTOT-RWMBFGLXSA-N 0 3 276.405 2.064 20 30 CEEDHN CN(CCCN(C)C[C@@H](C#N)CCC#N)Cc1ccco1 ZINC000285549640 263094091 /nfs/dbraw/zinc/09/40/91/263094091.db2.gz GNKNOBPTWQKZOU-OAHLLOKOSA-N 0 3 288.395 2.477 20 30 CEEDHN CN(CCC#N)c1ccc(CNCC2=CCCOC2)cc1 ZINC000288559397 263104890 /nfs/dbraw/zinc/10/48/90/263104890.db2.gz YNQMLUAOTWVYFT-UHFFFAOYSA-N 0 3 285.391 2.473 20 30 CEEDHN COCCOCc1ccc(CNCCCC#N)cc1 ZINC000290125715 263114705 /nfs/dbraw/zinc/11/47/05/263114705.db2.gz MKWQIXDUGVJTFA-UHFFFAOYSA-N 0 3 262.353 2.243 20 30 CEEDHN CN(C(=O)CCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000291904585 263126563 /nfs/dbraw/zinc/12/65/63/263126563.db2.gz LOHZQCDDYXMZIW-MRXNPFEDSA-N 0 3 285.391 2.413 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(CF)CC1 ZINC000295096699 263172321 /nfs/dbraw/zinc/17/23/21/263172321.db2.gz GNPLHSZADIRSQA-CYBMUJFWSA-N 0 3 268.376 2.257 20 30 CEEDHN C[C@H]1CN(c2ccccc2CNCCCC#N)CCO1 ZINC000297833282 263210209 /nfs/dbraw/zinc/21/02/09/263210209.db2.gz ZVSYHTVMRUAGQW-AWEZNQCLSA-N 0 3 273.380 2.305 20 30 CEEDHN CN(CCC#N)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000299494273 263243781 /nfs/dbraw/zinc/24/37/81/263243781.db2.gz JFZAMGNZUMKFMO-UHFFFAOYSA-N 0 3 285.391 2.271 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000341431125 263337938 /nfs/dbraw/zinc/33/79/38/263337938.db2.gz KEORMFYBNACRAH-AWEZNQCLSA-N 0 3 297.443 2.093 20 30 CEEDHN COCC1(C#N)CCN(C[C@@H]2CCC(C)(C)O2)CC1 ZINC000341996101 263373669 /nfs/dbraw/zinc/37/36/69/263373669.db2.gz RYOZAHVUONSAJI-ZDUSSCGKSA-N 0 3 266.385 2.196 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000342050718 263383634 /nfs/dbraw/zinc/38/36/34/263383634.db2.gz RBNRGKRJXFAZSI-KGLIPLIRSA-N 0 3 252.402 2.389 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000342050720 263383875 /nfs/dbraw/zinc/38/38/75/263383875.db2.gz RBNRGKRJXFAZSI-ZIAGYGMSSA-N 0 3 252.402 2.389 20 30 CEEDHN C[C@@H](C#N)CN(C)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000416127894 263676622 /nfs/dbraw/zinc/67/66/22/263676622.db2.gz DOYAVOYNSIIGDD-DZGCQCFKSA-N 0 3 273.380 2.297 20 30 CEEDHN COCCN1CC[C@H](NC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)C1 ZINC000330853725 264068649 /nfs/dbraw/zinc/06/86/49/264068649.db2.gz RFZDZWNFTDRVJX-LJISPDSOSA-N 0 3 297.443 2.035 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000330905879 264073867 /nfs/dbraw/zinc/07/38/67/264073867.db2.gz NADLXIIVELBMPQ-ZYHUDNBSSA-N 0 3 277.324 2.382 20 30 CEEDHN Cc1nn(C)c(C)c1C(=O)NCCN1CCCC(C)(C)C1 ZINC000330996662 264105184 /nfs/dbraw/zinc/10/51/84/264105184.db2.gz UTQHPWQIOKAJKW-UHFFFAOYSA-N 0 3 292.427 2.464 20 30 CEEDHN CSc1c(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cnn1C ZINC000331081245 264116428 /nfs/dbraw/zinc/11/64/28/264116428.db2.gz OEBCJXPXIGMLCF-ZYHUDNBSSA-N 0 3 296.440 2.175 20 30 CEEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)[C@H](C)CO1 ZINC000331173459 264147361 /nfs/dbraw/zinc/14/73/61/264147361.db2.gz DNMCYNYRFMOSDU-IIAWOOMASA-N 0 3 286.375 2.395 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@@H](CO)[C@@H]2C)c1 ZINC000425963379 264222747 /nfs/dbraw/zinc/22/27/47/264222747.db2.gz CHQLMFSJJXCVMQ-ZFWWWQNUSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCc1cc(CN2CC[C@H](CO)[C@H]2C)cc(OC)c1O ZINC000425961102 264227201 /nfs/dbraw/zinc/22/72/01/264227201.db2.gz ROTOHJDJMNZZBQ-IUODEOHRSA-N 0 3 291.391 2.332 20 30 CEEDHN C=C[C@H](C)NC(=O)NCCCN(C)Cc1ccccc1 ZINC000128554281 264290558 /nfs/dbraw/zinc/29/05/58/264290558.db2.gz XRFFLCRVSXVDPI-AWEZNQCLSA-N 0 3 275.396 2.382 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425443958 264324316 /nfs/dbraw/zinc/32/43/16/264324316.db2.gz BCQKUZCJOHECOG-ZNMIVQPWSA-N 0 3 292.427 2.242 20 30 CEEDHN CC(C)[C@H]1CN(C)CCN1Cc1ccc(F)cc1C#N ZINC000425490378 264355175 /nfs/dbraw/zinc/35/51/75/264355175.db2.gz YSQHWQSMACXVFJ-MRXNPFEDSA-N 0 3 275.371 2.469 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000424930355 264382528 /nfs/dbraw/zinc/38/25/28/264382528.db2.gz FKKLQLIGWNZZIO-BPUTZDHNSA-N 0 3 292.423 2.101 20 30 CEEDHN N#CCc1ccc(CN2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000425514566 264421567 /nfs/dbraw/zinc/42/15/67/264421567.db2.gz PWIOOYOGUVJVNS-MRXNPFEDSA-N 0 3 281.363 2.181 20 30 CEEDHN C=CCN[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000283956481 264522227 /nfs/dbraw/zinc/52/22/27/264522227.db2.gz HUMFMIPEYAFKCV-KGLIPLIRSA-N 0 3 252.308 2.486 20 30 CEEDHN C#CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000290909935 264802467 /nfs/dbraw/zinc/80/24/67/264802467.db2.gz DIDJHMLAPMNLJD-WBVHZDCISA-N 0 3 299.418 2.314 20 30 CEEDHN CC#CCN1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291710435 264839026 /nfs/dbraw/zinc/83/90/26/264839026.db2.gz INUYAYKXICSLOL-QGZVFWFLSA-N 0 3 257.377 2.327 20 30 CEEDHN C=CCC[C@@H](CO)N[C@H](C)c1cnc2cc(C)nn2c1C ZINC000320668367 265001201 /nfs/dbraw/zinc/00/12/01/265001201.db2.gz RTIIYOCDZWYGPV-OCCSQVGLSA-N 0 3 288.395 2.324 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cnc(C(C)(C)C)nc1 ZINC000320784561 265034630 /nfs/dbraw/zinc/03/46/30/265034630.db2.gz RZDSVXMWACIBMZ-ZDUSSCGKSA-N 0 3 263.385 2.191 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](OC)C(C)(C)C1 ZINC000296040987 265034777 /nfs/dbraw/zinc/03/47/77/265034777.db2.gz OBZMGOLLUSQHPS-HUUCEWRRSA-N 0 3 294.439 2.322 20 30 CEEDHN C=CCN(C(=O)NCCN1CCC[C@@H](C)C1)C1CC1 ZINC000357566061 266325891 /nfs/dbraw/zinc/32/58/91/266325891.db2.gz FKNGWFYUMGOZNH-CYBMUJFWSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CCN(C(=O)NC[C@@H](C)N1CCC[C@H](C)C1)C1CC1 ZINC000357574434 266328139 /nfs/dbraw/zinc/32/81/39/266328139.db2.gz 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WMMZXSRPSUYCIP-OAHLLOKOSA-N 0 3 289.354 2.238 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@H]1c1cnn(C)c1C ZINC000363153092 267077477 /nfs/dbraw/zinc/07/74/77/267077477.db2.gz KBOLQUGOUDZHIA-ZFWWWQNUSA-N 0 3 263.385 2.193 20 30 CEEDHN CC(C)(CCC#N)CN1CCO[C@@]2(CCCOC2)C1 ZINC000368042043 267141202 /nfs/dbraw/zinc/14/12/02/267141202.db2.gz VCIXEQDKOCWVPE-HNNXBMFYSA-N 0 3 266.385 2.198 20 30 CEEDHN CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000452019551 267145753 /nfs/dbraw/zinc/14/57/53/267145753.db2.gz SLJXDSOAUGMWOS-HUUCEWRRSA-N 0 3 287.363 2.044 20 30 CEEDHN CC[C@@H](C)N1CCN(c2ccc(C)c(C#N)n2)CC1 ZINC000450858218 267184835 /nfs/dbraw/zinc/18/48/35/267184835.db2.gz LAQZLZIINUHOJB-CYBMUJFWSA-N 0 3 258.369 2.182 20 30 CEEDHN CC[C@@H](NC[C@H]1COCCO1)c1ccc(C#N)cc1 ZINC000447529357 267193724 /nfs/dbraw/zinc/19/37/24/267193724.db2.gz LTVYYIANGCYESM-LSDHHAIUSA-N 0 3 260.337 2.014 20 30 CEEDHN COCc1nccc([C@H]2CCCN(CCCCC#N)C2)n1 ZINC000368877430 267210782 /nfs/dbraw/zinc/21/07/82/267210782.db2.gz 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/nfs/dbraw/zinc/16/32/36/268163236.db2.gz OPLWQNFWXTZANQ-UHFFFAOYSA-N 0 3 273.355 2.225 20 30 CEEDHN N#Cc1cc(CN(CCO)[C@@H]2CCCSC2)ccc1F ZINC000438993026 268179665 /nfs/dbraw/zinc/17/96/65/268179665.db2.gz ALICSLDDYZTBSM-CQSZACIVSA-N 0 3 294.395 2.387 20 30 CEEDHN N#Cc1ccc([C@@H](NC[C@@H]2CCC(F)(F)C2)C(N)=O)cc1 ZINC000429791298 268262509 /nfs/dbraw/zinc/26/25/09/268262509.db2.gz PFBSOAYTEMOHJS-DGCLKSJQSA-N 0 3 293.317 2.110 20 30 CEEDHN N#Cc1cccc(CC(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000531151632 268273716 /nfs/dbraw/zinc/27/37/16/268273716.db2.gz MYCFTBJMBMCSAX-KRWDZBQOSA-N 0 3 297.402 2.188 20 30 CEEDHN N#Cc1cccc(CNC[C@@H](O)COc2ccccc2)c1 ZINC000037502502 270225257 /nfs/dbraw/zinc/22/52/57/270225257.db2.gz JNDZZXWZKZMDFN-MRXNPFEDSA-N 0 3 282.343 2.088 20 30 CEEDHN CCCN(CCN(C)C)C(=O)/C=C/c1cccc(C#N)c1 ZINC000104530931 270232342 /nfs/dbraw/zinc/23/23/42/270232342.db2.gz GKEIWECUTVOKSH-CMDGGOBGSA-N 0 3 285.391 2.372 20 30 CEEDHN C[C@H]1C[C@@H](Nc2nccc(C#N)n2)CN1Cc1ccccc1 ZINC000398151617 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Cc1cc(C#N)cc(N2CC[C@]3(C2)CCCN(C)C3)n1 ZINC000338746735 280314280 /nfs/dbraw/zinc/31/42/80/280314280.db2.gz QNEFGEQGBVSPET-MRXNPFEDSA-N 0 3 270.380 2.184 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)CCc1ccc(C#N)cc1 ZINC000151762872 289065966 /nfs/dbraw/zinc/06/59/66/289065966.db2.gz QYSLJONHCMASST-UHFFFAOYSA-N 0 3 287.407 2.289 20 30 CEEDHN CN(C)CCN(C(=O)c1cc(C#N)c[nH]1)C1CCCCC1 ZINC000267126920 289123890 /nfs/dbraw/zinc/12/38/90/289123890.db2.gz AAFYLOSDOSLYJM-UHFFFAOYSA-N 0 3 288.395 2.223 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC000349077863 289145026 /nfs/dbraw/zinc/14/50/26/289145026.db2.gz QLQMAPGMHSBRLR-QGZVFWFLSA-N 0 3 287.407 2.101 20 30 CEEDHN CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CCCN(C)C1 ZINC000157586563 289217371 /nfs/dbraw/zinc/21/73/71/289217371.db2.gz CVAWBHUMOQYJKD-ZDUSSCGKSA-N 0 3 291.782 2.378 20 30 CEEDHN CN(c1cc(C#N)ncn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309730084 289277873 /nfs/dbraw/zinc/27/78/73/289277873.db2.gz RIMZRGMZCVETMC-INIZCTEOSA-N 0 3 293.374 2.059 20 30 CEEDHN C[C@H](NC[C@@]1(O)CCSC1)c1ccc(C#N)cc1 ZINC000271841128 289972014 /nfs/dbraw/zinc/97/20/14/289972014.db2.gz GWGFVSSUFOWWMJ-FZMZJTMJSA-N 0 3 262.378 2.077 20 30 CEEDHN CC(C)(C)N1CCCN(c2cnccc2C#N)CC1 ZINC000536687704 298204572 /nfs/dbraw/zinc/20/45/72/298204572.db2.gz FTRRRLDRCVHRNK-UHFFFAOYSA-N 0 3 258.369 2.264 20 30 CEEDHN C[C@@H](NCCN1CCO[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000540976334 298274166 /nfs/dbraw/zinc/27/41/66/298274166.db2.gz ZCMLALLEGFSMSB-QWHCGFSZSA-N 0 3 291.370 2.069 20 30 CEEDHN CCOC(=O)C1(CNCc2ccc(C#N)s2)CCC1 ZINC000542483327 298290410 /nfs/dbraw/zinc/29/04/10/298290410.db2.gz OLJVHJASABSMAA-UHFFFAOYSA-N 0 3 278.377 2.443 20 30 CEEDHN COc1cc(C#N)ccc1NC(=O)C1CCN(C2CC2)CC1 ZINC000566966768 299031707 /nfs/dbraw/zinc/03/17/07/299031707.db2.gz GJXZRGLSKAAASE-UHFFFAOYSA-N 0 3 299.374 2.380 20 30 CEEDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C1(C#N)CCCCC1 ZINC000083550281 300312003 /nfs/dbraw/zinc/31/20/03/300312003.db2.gz ZAEMCNMIRXGDMI-UONOGXRCSA-N 0 3 275.396 2.156 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(F)c(OC)c1 ZINC000186715793 327701369 /nfs/dbraw/zinc/70/13/69/327701369.db2.gz XDHDKHVSFDWURH-PWSUYJOCSA-N 0 3 253.317 2.422 20 30 CEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(C#N)n1 ZINC000570799393 314058937 /nfs/dbraw/zinc/05/89/37/314058937.db2.gz MDOGZEDSTNEQMC-KGLIPLIRSA-N 0 3 299.378 2.044 20 30 CEEDHN Cc1csc(NC(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1C#N ZINC000573931486 314185031 /nfs/dbraw/zinc/18/50/31/314185031.db2.gz WPEFDSPVFSBZBE-PWSUYJOCSA-N 0 3 290.392 2.096 20 30 CEEDHN C#C[C@@H](NCc1cc(-c2cccnc2)n[nH]1)C(C)C ZINC000367723663 327896074 /nfs/dbraw/zinc/89/60/74/327896074.db2.gz UFVQWKRQKFLUEH-CQSZACIVSA-N 0 3 254.337 2.219 20 30 CEEDHN C#CC[C@@H](C)NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000366310298 328003199 /nfs/dbraw/zinc/00/31/99/328003199.db2.gz DAHWHDLNNLVMSO-NVXWUHKLSA-N 0 3 299.418 2.220 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CC(C)(C)C ZINC000339249063 328003473 /nfs/dbraw/zinc/00/34/73/328003473.db2.gz LFSKFCWFEXFVAC-DOMZBBRYSA-N 0 3 267.417 2.407 20 30 CEEDHN CC[C@H](NC[C@H](O)CN(C)CCC#N)c1ccc(C)cc1 ZINC000571294356 328100193 /nfs/dbraw/zinc/10/01/93/328100193.db2.gz INNXUNBHTDAHMO-IRXDYDNUSA-N 0 3 289.423 2.242 20 30 CEEDHN Cc1ccc(CN(C)C)cc1NC(=O)CSCC#N ZINC000267174635 328174229 /nfs/dbraw/zinc/17/42/29/328174229.db2.gz WFEMXUFKYCFJPE-UHFFFAOYSA-N 0 3 277.393 2.252 20 30 CEEDHN C[C@@H](NC(=O)c1ccc(CC#N)cc1)C1=CCN(C)CC1 ZINC000272655968 328200542 /nfs/dbraw/zinc/20/05/42/328200542.db2.gz FYZGZUHHUPOPCH-CYBMUJFWSA-N 0 3 283.375 2.133 20 30 CEEDHN CCOC(=O)C[C@@](C)(NCc1ccc(C#N)cn1)C(C)C ZINC000582614884 322489345 /nfs/dbraw/zinc/48/93/45/322489345.db2.gz LPLAHZBSWYSQQL-MRXNPFEDSA-N 0 3 289.379 2.411 20 30 CEEDHN C=CCc1cc(CN[C@@H]2CCCOC2)cc(OC)c1O ZINC000342304195 328418248 /nfs/dbraw/zinc/41/82/48/328418248.db2.gz BPRUHPWHOZGDAK-CQSZACIVSA-N 0 3 277.364 2.398 20 30 CEEDHN C=CC[C@H](C)N[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000342430836 328418902 /nfs/dbraw/zinc/41/89/02/328418902.db2.gz CSBKMYMWKPQODI-WCQYABFASA-N 0 3 279.384 2.456 20 30 CEEDHN C=CCC(C)(C)CNCc1cn(Cc2cccnc2)nn1 ZINC000293081429 328543134 /nfs/dbraw/zinc/54/31/34/328543134.db2.gz WHDDAGWJOWUAHC-UHFFFAOYSA-N 0 3 285.395 2.413 20 30 CEEDHN N#CCC[C@@H](C#N)CN[C@H]1CCOC2(CCSCC2)C1 ZINC000584225083 327073421 /nfs/dbraw/zinc/07/34/21/327073421.db2.gz BLZVAGPWAXVJEE-KBPBESRZSA-N 0 3 293.436 2.464 20 30 CEEDHN C=CCC[C@H](NCCN1CCCC1=O)c1ccco1 ZINC000581315584 327086941 /nfs/dbraw/zinc/08/69/41/327086941.db2.gz JSVDMNIQMCWWGE-ZDUSSCGKSA-N 0 3 262.353 2.499 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)CNC(C)C ZINC000518565557 327175741 /nfs/dbraw/zinc/17/57/41/327175741.db2.gz DCDOKSLGZGPFAL-UHFFFAOYSA-N 0 3 264.344 2.338 20 30 CEEDHN COCC(=O)Nc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000559782689 327260860 /nfs/dbraw/zinc/26/08/60/327260860.db2.gz YGOULRZMQBTKIM-JSGCOSHPSA-N 0 3 287.363 2.053 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NC1CCC(C)CC1 ZINC000560318618 327298833 /nfs/dbraw/zinc/29/88/33/327298833.db2.gz YBPQLLIYMBOQAD-CVSAEHQPSA-N 0 3 280.412 2.005 20 30 CEEDHN C#C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000300849736 332836303 /nfs/dbraw/zinc/83/63/03/332836303.db2.gz FDABMSRGIHNGLM-OLZOCXBDSA-N 0 3 266.385 2.243 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](C3CC3)C2)CC1 ZINC000377364505 329012672 /nfs/dbraw/zinc/01/26/72/329012672.db2.gz VHYLBRFOYAABOZ-OAHLLOKOSA-N 0 3 291.439 2.468 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000377755548 329028208 /nfs/dbraw/zinc/02/82/08/329028208.db2.gz HWXHCUVNHICPOA-SWLSCSKDSA-N 0 3 283.391 2.207 20 30 CEEDHN CCCCCCCCN1CCC[C@@H](S(N)(=O)=O)C1 ZINC000377913277 329034534 /nfs/dbraw/zinc/03/45/34/329034534.db2.gz MNKBIWCUTDWOPZ-CYBMUJFWSA-N 0 3 276.446 2.100 20 30 CEEDHN N#CCCCCN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000171032178 329074359 /nfs/dbraw/zinc/07/43/59/329074359.db2.gz VVPGYUHGIAMRNL-CYBMUJFWSA-N 0 3 273.384 2.098 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@H](C)CC)CC1 ZINC000171724625 329079359 /nfs/dbraw/zinc/07/93/59/329079359.db2.gz BGNLXONMQUODAI-OLZOCXBDSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000172421549 329135163 /nfs/dbraw/zinc/13/51/63/329135163.db2.gz XZBVYNKIVQUEOR-OAHLLOKOSA-N 0 3 294.439 2.445 20 30 CEEDHN C=CCCCN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177009588 329178120 /nfs/dbraw/zinc/17/81/20/329178120.db2.gz PQZJOOUAMMZBNS-OLZOCXBDSA-N 0 3 259.415 2.240 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)C2(C#N)CCCCC2)CN1C1CC1 ZINC000177212787 329182057 /nfs/dbraw/zinc/18/20/57/329182057.db2.gz ICIKFMDZESBAHO-OLZOCXBDSA-N 0 3 275.396 2.202 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000178061860 329192289 /nfs/dbraw/zinc/19/22/89/329192289.db2.gz VQUCKIXRUWIAOW-HNNXBMFYSA-N 0 3 270.376 2.152 20 30 CEEDHN C=CCCCC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000178522861 329198106 /nfs/dbraw/zinc/19/81/06/329198106.db2.gz PLZRCQAXIWZWDJ-KGLIPLIRSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C(C)CN(C)C[C@@H](O)COCc1ccccc1OC ZINC000181289699 329230110 /nfs/dbraw/zinc/23/01/10/329230110.db2.gz LZVQMESPABBWPD-OAHLLOKOSA-N 0 3 279.380 2.081 20 30 CEEDHN C=CCC[C@@H](O)CN1CC[C@]2(C1)OCc1ccccc12 ZINC000186677443 329347282 /nfs/dbraw/zinc/34/72/82/329347282.db2.gz CIHNQLOSZNCYAB-NVXWUHKLSA-N 0 3 273.376 2.445 20 30 CEEDHN C#CCCCN1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000270976103 330077505 /nfs/dbraw/zinc/07/75/05/330077505.db2.gz BNSMEVKQTMMYKA-UHFFFAOYSA-N 0 3 290.382 2.365 20 30 CEEDHN CC#CCCN1CCN(CCc2cccs2)CC1 ZINC000274117412 330103837 /nfs/dbraw/zinc/10/38/37/330103837.db2.gz XQFXAGSMLQJMFP-UHFFFAOYSA-N 0 3 262.422 2.322 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC(c2ccccc2)CC1 ZINC000424061161 330218604 /nfs/dbraw/zinc/21/86/04/330218604.db2.gz DYADYVOCBKSMHS-MRXNPFEDSA-N 0 3 285.391 2.414 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000424058818 330218626 /nfs/dbraw/zinc/21/86/26/330218626.db2.gz APMODTJQMCOFIA-OAHLLOKOSA-N 0 3 289.354 2.338 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000424065400 330219356 /nfs/dbraw/zinc/21/93/56/330219356.db2.gz LFMMWXGAEQJSDF-VXGBXAGGSA-N 0 3 277.393 2.433 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000424068461 330219545 /nfs/dbraw/zinc/21/95/45/330219545.db2.gz ZFOWFBKZOOYLBJ-BARDWOONSA-N 0 3 277.412 2.483 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1nc2ccccc2s1 ZINC000424075114 330220721 /nfs/dbraw/zinc/22/07/21/330220721.db2.gz ITYLEJPEMPQINO-VIFPVBQESA-N 0 3 274.349 2.256 20 30 CEEDHN CCOc1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000424080677 330221836 /nfs/dbraw/zinc/22/18/36/330221836.db2.gz TVNUYRMPJNZQKA-NSHDSACASA-N 0 3 261.325 2.045 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000424090237 330225074 /nfs/dbraw/zinc/22/50/74/330225074.db2.gz XEWPFIMXWVXTHJ-LLVKDONJSA-N 0 3 269.707 2.439 20 30 CEEDHN CCN(Cc1ccccc1C)C(=O)[C@@H](N)CCCC#N ZINC000424091605 330225436 /nfs/dbraw/zinc/22/54/36/330225436.db2.gz OKASGBOPHKDMIJ-HNNXBMFYSA-N 0 3 273.380 2.365 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000424098868 330230470 /nfs/dbraw/zinc/23/04/70/330230470.db2.gz HUVRUOUYUNJJMB-KBPBESRZSA-N 0 3 291.782 2.465 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCCCc1ccc(Cl)cc1 ZINC000424111923 330240329 /nfs/dbraw/zinc/24/03/29/330240329.db2.gz HPLLESCEIHEQSV-AWEZNQCLSA-N 0 3 293.798 2.410 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCc2ccc(Cl)cc21 ZINC000424114208 330242831 /nfs/dbraw/zinc/24/28/31/330242831.db2.gz QCOMRILVDAPIMF-GFCCVEGCSA-N 0 3 277.755 2.250 20 30 CEEDHN CC[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424115322 330243258 /nfs/dbraw/zinc/24/32/58/330243258.db2.gz ADRJNUXYVLPLIK-JKSUJKDBSA-N 0 3 287.407 2.487 20 30 CEEDHN CCCC[C@@H](NC(=O)[C@H](N)CCCC#N)C1CCC1 ZINC000424115679 330243500 /nfs/dbraw/zinc/24/35/00/330243500.db2.gz AWBNEHRHBASHIB-ZIAGYGMSSA-N 0 3 265.401 2.483 20 30 CEEDHN CCC[C@]1(C)CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424118225 330243979 /nfs/dbraw/zinc/24/39/79/330243979.db2.gz CZCHNTRSVIPJHB-UKRRQHHQSA-N 0 3 265.401 2.436 20 30 CEEDHN CCCC[C@@H](CCC)NC(=O)[C@@H](N)CCCC#N ZINC000424120626 330249463 /nfs/dbraw/zinc/24/94/63/330249463.db2.gz HMEUFIHWOOFKDD-OLZOCXBDSA-N 0 3 253.390 2.483 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000424122083 330253759 /nfs/dbraw/zinc/25/37/59/330253759.db2.gz IWMUPJNSWRJAEW-JKSUJKDBSA-N 0 3 285.391 2.145 20 30 CEEDHN Cc1sc(CNC(=O)[C@H](N)CCCC#N)nc1C(C)C ZINC000424121981 330253781 /nfs/dbraw/zinc/25/37/81/330253781.db2.gz GJEPSSMYYPOSNF-LLVKDONJSA-N 0 3 294.424 2.212 20 30 CEEDHN CCC[C@H]1CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424125835 330259089 /nfs/dbraw/zinc/25/90/89/330259089.db2.gz OIJJNRNSTGWCOQ-QWHCGFSZSA-N 0 3 251.374 2.046 20 30 CEEDHN CCCC1(CNC(=O)[C@H](N)CCCC#N)CCC1 ZINC000424127610 330259470 /nfs/dbraw/zinc/25/94/70/330259470.db2.gz BERFYFUFVOVSEI-GFCCVEGCSA-N 0 3 251.374 2.094 20 30 CEEDHN CSc1ccc(F)cc1CNC(=O)[C@H](N)CCCC#N ZINC000424131091 330262081 /nfs/dbraw/zinc/26/20/81/330262081.db2.gz VOODQTMOQBJGSL-GFCCVEGCSA-N 0 3 295.383 2.185 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NC1(Cc2ccccc2)CCC1 ZINC000424131125 330262198 /nfs/dbraw/zinc/26/21/98/330262198.db2.gz VTEKXESOWMQFIJ-OAHLLOKOSA-N 0 3 285.391 2.289 20 30 CEEDHN CC[C@H](C)[C@H](C)N(C(=O)[C@H](N)CCCC#N)C1CC1 ZINC000424146743 330293343 /nfs/dbraw/zinc/29/33/43/330293343.db2.gz XDEOIZQNTYMILR-SGMGOOAPSA-N 0 3 265.401 2.433 20 30 CEEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H](N)CCCC#N ZINC000424148253 330295000 /nfs/dbraw/zinc/29/50/00/330295000.db2.gz ZRIKNWSHLPGZQK-ZOBORPQBSA-N 0 3 263.385 2.187 20 30 CEEDHN CN1C(=O)c2ccccc2[C@@H]1CN[C@@H]1CC[C@H](C#N)C1 ZINC000528003464 330300385 /nfs/dbraw/zinc/30/03/85/330300385.db2.gz PBHGYYZVDRVBJT-ZOWXZIJZSA-N 0 3 269.348 2.095 20 30 CEEDHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)[C@@H](N)CCCC#N ZINC000424165219 330308874 /nfs/dbraw/zinc/30/88/74/330308874.db2.gz AENFIMDXJORAPX-MELADBBJSA-N 0 3 295.427 2.060 20 30 CEEDHN Cc1cc(N(C)C)cc(C)c1NC(=O)[C@H](N)CCCC#N ZINC000424166130 330309228 /nfs/dbraw/zinc/30/92/28/330309228.db2.gz CEADCQWDJFYLSY-CQSZACIVSA-N 0 3 288.395 2.329 20 30 CEEDHN Cn1nc(C2CCCC2)cc1NC(=O)[C@H](N)CCCC#N ZINC000424176344 330316396 /nfs/dbraw/zinc/31/63/96/330316396.db2.gz RVYWXECAFMVAKC-GFCCVEGCSA-N 0 3 289.383 2.037 20 30 CEEDHN C[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424176701 330316841 /nfs/dbraw/zinc/31/68/41/330316841.db2.gz SLXKVQLPTAUCJN-KCXAZCMYSA-N 0 3 285.391 2.447 20 30 CEEDHN CC(C#N)C(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000548642203 330322350 /nfs/dbraw/zinc/32/23/50/330322350.db2.gz AEQCFFSTNCSVDL-NOZJJQNGSA-N 0 3 280.274 2.024 20 30 CEEDHN C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@H](N)CCCC#N ZINC000424194653 330324379 /nfs/dbraw/zinc/32/43/79/330324379.db2.gz SDIYHEITSSXARD-JHJVBQTASA-N 0 3 251.374 2.045 20 30 CEEDHN CC(C)N(CC(=O)NC1(C#N)CCCCC1)CC1CC1 ZINC000533030500 330324859 /nfs/dbraw/zinc/32/48/59/330324859.db2.gz GGNZXVCTTBMBGX-UHFFFAOYSA-N 0 3 277.412 2.449 20 30 CEEDHN CCN(C(=O)[C@H](N)CCCC#N)[C@H]1CCCC[C@@H]1C ZINC000424197853 330326132 /nfs/dbraw/zinc/32/61/32/330326132.db2.gz XHEWWDWPLUJKKW-MJBXVCDLSA-N 0 3 265.401 2.435 20 30 CEEDHN CCCNc1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000424198933 330326213 /nfs/dbraw/zinc/32/62/13/330326213.db2.gz YOHHCDUTHPEYEI-GFCCVEGCSA-N 0 3 274.368 2.468 20 30 CEEDHN CC[C@@](C)(CCO)NC(=O)C(C#N)CCc1ccccc1 ZINC000433379643 330349683 /nfs/dbraw/zinc/34/96/83/330349683.db2.gz ZQWLWYOOWIDXMT-RDJZCZTQSA-N 0 3 288.391 2.426 20 30 CEEDHN CC#CCCNCc1ccnn1-c1ccccc1OC ZINC000430775400 330573702 /nfs/dbraw/zinc/57/37/02/330573702.db2.gz KRWKVZHZQBCYCI-UHFFFAOYSA-N 0 3 269.348 2.384 20 30 CEEDHN C[C@H](N[C@@H]1CCO[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000149451352 330574107 /nfs/dbraw/zinc/57/41/07/330574107.db2.gz VJWXIRQELISQRE-YWPYICTPSA-N 0 3 260.337 2.417 20 30 CEEDHN CN(C)[C@H](CC(=O)N(C)CCC#N)c1ccccc1 ZINC000433315483 330625486 /nfs/dbraw/zinc/62/54/86/330625486.db2.gz FGDSJKZSVNPUNP-CQSZACIVSA-N 0 3 259.353 2.051 20 30 CEEDHN CCN(Cc1ccccc1)C(=O)CN[C@H]1CC[C@@H](C#N)C1 ZINC000442793821 330784105 /nfs/dbraw/zinc/78/41/05/330784105.db2.gz SDNZNKITWIHEEG-CVEARBPZSA-N 0 3 285.391 2.317 20 30 CEEDHN N#C[C@H]1CC[C@H](NCCOc2ccc(Cl)cn2)C1 ZINC000442814149 330785241 /nfs/dbraw/zinc/78/52/41/330785241.db2.gz CLZSXTYVQJYJCK-JQWIXIFHSA-N 0 3 265.744 2.396 20 30 CEEDHN CCS(=O)(=O)c1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442881127 330790285 /nfs/dbraw/zinc/79/02/85/330790285.db2.gz YXZGJVBSHQNHPN-GXTWGEPZSA-N 0 3 292.404 2.262 20 30 CEEDHN NC(=O)[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1Cl ZINC000445780335 330836317 /nfs/dbraw/zinc/83/63/17/330836317.db2.gz HHPWTLDDTVEFTR-UKRRQHHQSA-N 0 3 290.794 2.325 20 30 CEEDHN CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@@H](O)C(F)(F)F ZINC000447580220 330871058 /nfs/dbraw/zinc/87/10/58/330871058.db2.gz NOURRDDUNWLOEK-ZRUFSTJUSA-N 0 3 264.291 2.360 20 30 CEEDHN C=CCN1CCC(Nc2ncc(C(F)F)cn2)CC1 ZINC000450320657 330972534 /nfs/dbraw/zinc/97/25/34/330972534.db2.gz WPSNLWPIJZEHPP-UHFFFAOYSA-N 0 3 268.311 2.477 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C[C@@H]2CCC(F)(F)C2)C1=O ZINC000450902762 331006004 /nfs/dbraw/zinc/00/60/04/331006004.db2.gz KKTMWCYAAKKLNQ-VXGBXAGGSA-N 0 3 272.339 2.141 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451422037 331028880 /nfs/dbraw/zinc/02/88/80/331028880.db2.gz QZACXEAPFFMQSZ-ARFHVFGLSA-N 0 3 294.439 2.036 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000451607279 331036573 /nfs/dbraw/zinc/03/65/73/331036573.db2.gz PDUGNMSPLOYTMA-BHYNMZESSA-N 0 3 296.317 2.225 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000451613736 331037020 /nfs/dbraw/zinc/03/70/20/331037020.db2.gz NXMBMRGYCWBEEN-OCCSQVGLSA-N 0 3 292.335 2.427 20 30 CEEDHN C=C(C)CCN(CCN1CCOCC1)Cc1ccco1 ZINC000452052691 331052285 /nfs/dbraw/zinc/05/22/85/331052285.db2.gz WFSFBYKPZBDBCC-UHFFFAOYSA-N 0 3 278.396 2.380 20 30 CEEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(OC)c(O)c1 ZINC000453349906 331120532 /nfs/dbraw/zinc/12/05/32/331120532.db2.gz JNSUYJXWDPTLSI-YPMHNXCESA-N 0 3 265.353 2.379 20 30 CEEDHN C=C(CC)CNC(=O)NC[C@@H]1CCCCN1CC ZINC000454481172 331147122 /nfs/dbraw/zinc/14/71/22/331147122.db2.gz IDZFHVMFCWEKBW-ZDUSSCGKSA-N 0 3 253.390 2.126 20 30 CEEDHN C=C(CC)CNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000454881006 331155539 /nfs/dbraw/zinc/15/55/39/331155539.db2.gz YGLFUKKBXLKYAA-CYBMUJFWSA-N 0 3 267.417 2.372 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)Nc1cccc(CC#N)c1 ZINC000455904053 331180201 /nfs/dbraw/zinc/18/02/01/331180201.db2.gz JHZQFCFBHPWROR-UHFFFAOYSA-N 0 3 286.379 2.311 20 30 CEEDHN C[C@@H](N(C)C(=O)C(C#N)CCc1ccccc1)C(C)(C)O ZINC000456087536 331184151 /nfs/dbraw/zinc/18/41/51/331184151.db2.gz OEYGXVOZJMNAOF-UKRRQHHQSA-N 0 3 288.391 2.377 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000457630698 331229526 /nfs/dbraw/zinc/22/95/26/331229526.db2.gz CUNSRVBSCVAERT-KLHDSHLOSA-N 0 3 294.439 2.203 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)NCC(C)(C)CC#N ZINC000457708421 331231976 /nfs/dbraw/zinc/23/19/76/331231976.db2.gz LEIHTHGZMGXNPS-ZDUSSCGKSA-N 0 3 280.416 2.100 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)CC1(N(C)C)CCC1 ZINC000457733548 331232734 /nfs/dbraw/zinc/23/27/34/331232734.db2.gz MIPCSEREEDKSPS-HUUCEWRRSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(C)CCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000459011393 331266345 /nfs/dbraw/zinc/26/63/45/331266345.db2.gz XJZWUBYFVCLCPH-UHFFFAOYSA-N 0 3 279.384 2.319 20 30 CEEDHN N#C[C@@H]1CCC[C@@H]1NC/C=C/CN[C@@H]1CCC[C@@H]1C#N ZINC000459480887 331284094 /nfs/dbraw/zinc/28/40/94/331284094.db2.gz PTLPQFLTETVCLK-NTXWRNLQSA-N 0 3 272.396 2.106 20 30 CEEDHN CCNC(=O)C(C)(C)NCc1ccccc1C(C)(C)C#N ZINC000459562080 331287958 /nfs/dbraw/zinc/28/79/58/331287958.db2.gz OCAQLEPHMBHEPC-UHFFFAOYSA-N 0 3 287.407 2.492 20 30 CEEDHN C=CCCN(CCOC)Cc1c(C)nn(C)c1C ZINC000459577991 331289036 /nfs/dbraw/zinc/28/90/36/331289036.db2.gz XENOOYOCFXFXRF-UHFFFAOYSA-N 0 3 251.374 2.061 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(O)c(OCC)c1 ZINC000459581763 331289127 /nfs/dbraw/zinc/28/91/27/331289127.db2.gz QDBWVTGWZGHWAE-OCCSQVGLSA-N 0 3 263.337 2.224 20 30 CEEDHN C=C(C)CNC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000488652150 332020734 /nfs/dbraw/zinc/02/07/34/332020734.db2.gz YGWUHAZFJKDOKR-CHWSQXEVSA-N 0 3 253.390 2.125 20 30 CEEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1ccccc1 ZINC000489519777 332057959 /nfs/dbraw/zinc/05/79/59/332057959.db2.gz YHLZVDKOJLIAHL-LSDHHAIUSA-N 0 3 261.365 2.467 20 30 CEEDHN CCCN(C)CC(=O)N[C@@H](C#N)c1ccc(CC)cc1 ZINC000489962226 332074791 /nfs/dbraw/zinc/07/47/91/332074791.db2.gz JEZBMMBVFADBNH-HNNXBMFYSA-N 0 3 273.380 2.272 20 30 CEEDHN C#CCN(C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)C1CCCCC1 ZINC000490700475 332106178 /nfs/dbraw/zinc/10/61/78/332106178.db2.gz SYWCIUNLDWOMJQ-LSDHHAIUSA-N 0 3 291.439 2.447 20 30 CEEDHN C#CCN(C(=O)N[C@H]1CCN(C)[C@H](C)C1)C1CCCC1 ZINC000490802782 332116723 /nfs/dbraw/zinc/11/67/23/332116723.db2.gz FNTXBGHKDIALQA-KGLIPLIRSA-N 0 3 277.412 2.057 20 30 CEEDHN C#CCN(CC#CC)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000491264357 332176594 /nfs/dbraw/zinc/17/65/94/332176594.db2.gz GFKSQIYPOUXPMM-QGZVFWFLSA-N 0 3 282.387 2.165 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000491440130 332212075 /nfs/dbraw/zinc/21/20/75/332212075.db2.gz NVGHXZZSMBYDHF-INIZCTEOSA-N 0 3 278.396 2.343 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000491452549 332214091 /nfs/dbraw/zinc/21/40/91/332214091.db2.gz LPPQVMJJEHGUQP-NVXWUHKLSA-N 0 3 291.439 2.163 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000491474503 332218109 /nfs/dbraw/zinc/21/81/09/332218109.db2.gz NISDMPNQZOPNCK-KBPBESRZSA-N 0 3 264.413 2.130 20 30 CEEDHN C#C[C@@H](C)N(C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000491516050 332227644 /nfs/dbraw/zinc/22/76/44/332227644.db2.gz QRHGCEZQWRWDEM-YPMHNXCESA-N 0 3 267.756 2.033 20 30 CEEDHN C#C[C@@H](NC(=O)N1CCC[C@@H]1CN1CCCCC1)C(C)C ZINC000491536505 332231852 /nfs/dbraw/zinc/23/18/52/332231852.db2.gz KAXBAYMEYMMWTK-HZPDHXFCSA-N 0 3 291.439 2.304 20 30 CEEDHN C#CCN[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC000491542948 332233644 /nfs/dbraw/zinc/23/36/44/332233644.db2.gz DLQRRTHZQFZAPR-NSHDSACASA-N 0 3 254.374 2.149 20 30 CEEDHN C#C[C@H](CC)NCc1ccccc1N1CCO[C@@H](C)C1 ZINC000491569764 332240647 /nfs/dbraw/zinc/24/06/47/332240647.db2.gz XSNULRFIYLUPBO-GOEBONIOSA-N 0 3 272.392 2.413 20 30 CEEDHN C#CCN(C)CCCNC(=O)C/C=C/c1ccc(C)cc1 ZINC000491658370 332269396 /nfs/dbraw/zinc/26/93/96/332269396.db2.gz KAAWPCMFHMDZPI-FNORWQNLSA-N 0 3 284.403 2.470 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000491664313 332273080 /nfs/dbraw/zinc/27/30/80/332273080.db2.gz SVAHANIOUGXQPA-UHFFFAOYSA-N 0 3 297.402 2.470 20 30 CEEDHN C#CCNC(=O)C1CCN([C@H](C)c2ccccc2F)CC1 ZINC000491672797 332279387 /nfs/dbraw/zinc/27/93/87/332279387.db2.gz HWXZQTQRFOEWBC-CYBMUJFWSA-N 0 3 288.366 2.348 20 30 CEEDHN C#C[C@H](CC)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000491732660 332313964 /nfs/dbraw/zinc/31/39/64/332313964.db2.gz ASLSSLNMPDIBRN-CABCVRRESA-N 0 3 258.365 2.207 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000491758981 332330766 /nfs/dbraw/zinc/33/07/66/332330766.db2.gz QIMQKEPWNCRYPH-RYUDHWBXSA-N 0 3 295.383 2.004 20 30 CEEDHN CN(C)C/C=C\C(=O)N[C@H](C#N)c1ccccc1Cl ZINC000491895172 332374210 /nfs/dbraw/zinc/37/42/10/332374210.db2.gz VQOSRYPVOURABE-DMTLFAOVSA-N 0 3 277.755 2.139 20 30 CEEDHN C=CCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000505727605 332750112 /nfs/dbraw/zinc/75/01/12/332750112.db2.gz ROVCCLBSEYNPSK-DZGCQCFKSA-N 0 3 275.396 2.471 20 30 CEEDHN C#C[C@H](NC[C@H](O)c1ccc(F)cc1F)C(C)C ZINC000305966144 333002604 /nfs/dbraw/zinc/00/26/04/333002604.db2.gz XWKFYDGHCDAZDW-KBPBESRZSA-N 0 3 253.292 2.246 20 30 CEEDHN CN(C)CCN(C(=O)NCCCCC#N)C1CCCC1 ZINC000176961893 333051161 /nfs/dbraw/zinc/05/11/61/333051161.db2.gz WVRBRGCUJYATRK-UHFFFAOYSA-N 0 3 280.416 2.196 20 30 CEEDHN N#CCCN(CC1CC1)C(=O)Nc1cccc2c1CCNC2 ZINC000575895655 335128852 /nfs/dbraw/zinc/12/88/52/335128852.db2.gz UYYZEMJVYFLEOQ-UHFFFAOYSA-N 0 3 298.390 2.490 20 30 CEEDHN C=CCOc1ccccc1CNC[C@@](C)(O)CCOC ZINC000227216657 333278313 /nfs/dbraw/zinc/27/83/13/333278313.db2.gz YTAQZBKYASMHRF-INIZCTEOSA-N 0 3 279.380 2.129 20 30 CEEDHN N#CCCOCCN1CCCN(Cc2ccccc2)CC1 ZINC000338893147 335139873 /nfs/dbraw/zinc/13/98/73/335139873.db2.gz IYLWVJIYZZOPRU-UHFFFAOYSA-N 0 3 287.407 2.125 20 30 CEEDHN C=CCN(CC=C)[C@H](CNc1ccncc1C#N)C(C)C ZINC000547361250 334083354 /nfs/dbraw/zinc/08/33/54/334083354.db2.gz GDBKHACFGNDUGD-QGZVFWFLSA-N 0 3 284.407 2.486 20 30 CEEDHN C=C(C)COCCNCc1c[nH]nc1C(C)(C)C ZINC000134501885 334092237 /nfs/dbraw/zinc/09/22/37/334092237.db2.gz GYYDXZPDRCDLRQ-UHFFFAOYSA-N 0 3 251.374 2.390 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)[C@@H]1C ZINC000248372230 334299313 /nfs/dbraw/zinc/29/93/13/334299313.db2.gz ZREZFEZFQBEYIZ-RDBSUJKOSA-N 0 3 277.412 2.448 20 30 CEEDHN C[C@H](C#N)CN[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000248609070 334308633 /nfs/dbraw/zinc/30/86/33/334308633.db2.gz KLPQSJYASAHCCM-IJEWVQPXSA-N 0 3 257.381 2.256 20 30 CEEDHN Cc1cccc(OC[C@H](O)CNCC(C)(C)CC#N)c1 ZINC000565475580 334566177 /nfs/dbraw/zinc/56/61/77/334566177.db2.gz AXJGITABFZTJLO-CQSZACIVSA-N 0 3 276.380 2.264 20 30 CEEDHN Cn1c2ccc(CN[C@@H]3CC[C@H](C#N)C3)cc2sc1=O ZINC000566095253 334621822 /nfs/dbraw/zinc/62/18/22/334621822.db2.gz QHIGQBLLGJXSAH-CMPLNLGQSA-N 0 3 287.388 2.382 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@H]2COc3cc(F)ccc3C2)C1 ZINC000566501648 334653337 /nfs/dbraw/zinc/65/33/37/334653337.db2.gz SEVQXMUGZGMUDV-DDTOSNHZSA-N 0 3 260.312 2.411 20 30 CEEDHN Cc1cccnc1CCCNC[C@@H](C#N)CCC#N ZINC000567697155 334753179 /nfs/dbraw/zinc/75/31/79/334753179.db2.gz PYSGGYVCCJJFAO-CQSZACIVSA-N 0 3 256.353 2.356 20 30 CEEDHN C=C(C)COCCNC(=O)Nc1cccc2c1CCNC2 ZINC000577206142 335322806 /nfs/dbraw/zinc/32/28/06/335322806.db2.gz QHCRHWJLESZBQN-UHFFFAOYSA-N 0 3 289.379 2.047 20 30 CEEDHN C[C@@H](CN[C@H](CCCC#N)c1ccccc1)S(C)(=O)=O ZINC000578759643 335671348 /nfs/dbraw/zinc/67/13/48/335671348.db2.gz BLDHHNGAWCZAOJ-DZGCQCFKSA-N 0 3 294.420 2.444 20 30 CEEDHN C[C@H]1CN(C(=O)NCC(C)(C)CC#N)CCN(C2CC2)C1 ZINC000581117132 336010669 /nfs/dbraw/zinc/01/06/69/336010669.db2.gz DANYSAXGWJPMAE-CYBMUJFWSA-N 0 3 292.427 2.052 20 30 CEEDHN C=C(C)Cn1c(C)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC000283434888 500571139 /nfs/dbraw/zinc/57/11/39/500571139.db2.gz YNCONPSLHFAJKZ-HNNXBMFYSA-N 0 3 289.427 2.227 20 30 CEEDHN COc1cccc([C@H](CNc2cncc(C#N)n2)N(C)C)c1 ZINC000401317907 533781288 /nfs/dbraw/zinc/78/12/88/533781288.db2.gz DUFVISTWTWXBNE-HNNXBMFYSA-N 0 3 297.362 2.072 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1cc(C)sc1C ZINC000049507316 518281705 /nfs/dbraw/zinc/28/17/05/518281705.db2.gz ZVEPLUQRSVCUQV-GHMZBOCLSA-N 0 3 264.394 2.153 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(Br)cc1 ZINC000184268384 519117632 /nfs/dbraw/zinc/11/76/32/519117632.db2.gz UIDMLKNTPOOIRG-GFCCVEGCSA-N 0 3 270.170 2.476 20 30 CEEDHN O=C(NCc1ccncn1)[C@H]1CCCN1C1CCCC1 ZINC000329202752 534757991 /nfs/dbraw/zinc/75/79/91/534757991.db2.gz XBUDSUMXLYNUJX-CQSZACIVSA-N 0 3 274.368 2.340 20 30 CEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)C#N ZINC000347045113 526348702 /nfs/dbraw/zinc/34/87/02/526348702.db2.gz ZGWMYTCIQYFUEB-NSHDSACASA-N 0 3 273.292 2.269 20 30 CEEDHN N#Cc1cc(CN2CCN(C3CCCC3)CC2)ccn1 ZINC000068766626 526550131 /nfs/dbraw/zinc/55/01/31/526550131.db2.gz ZUQOZVARNLXVLW-UHFFFAOYSA-N 0 3 270.380 2.013 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C(F)(F)F)CC1 ZINC000352819443 526594366 /nfs/dbraw/zinc/59/43/66/526594366.db2.gz NQVCMRARWUAPGS-SNVBAGLBSA-N 0 3 293.333 2.277 20 30 CEEDHN N#Cc1ccc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1 ZINC000364960208 526612307 /nfs/dbraw/zinc/61/23/07/526612307.db2.gz DHZKCIOSDKHVQU-MRXNPFEDSA-N 0 3 296.374 2.227 20 30 CEEDHN C=CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114780342 526613592 /nfs/dbraw/zinc/61/35/92/526613592.db2.gz DEVFISHYHMKQCY-HNNXBMFYSA-N 0 3 273.380 2.136 20 30 CEEDHN CC(C)(C)[C@H]1CCCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000347100684 526720460 /nfs/dbraw/zinc/72/04/60/526720460.db2.gz WNYYKJORLIUCEI-ZDUSSCGKSA-N 0 3 277.412 2.307 20 30 CEEDHN C=CCOc1cccc(CNC2(CC(N)=O)CCC2)c1 ZINC000354985066 526902720 /nfs/dbraw/zinc/90/27/20/526902720.db2.gz XZEZHRBARWJEST-UHFFFAOYSA-N 0 3 274.364 2.139 20 30 CEEDHN C=CCCCCNC(=O)NC[C@H]1CCCN1CC ZINC000353268203 527157778 /nfs/dbraw/zinc/15/77/78/527157778.db2.gz GBHWSZLCIVKCGO-CYBMUJFWSA-N 0 3 253.390 2.126 20 30 CEEDHN C=CCCC[C@@H](C)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000344471652 527271934 /nfs/dbraw/zinc/27/19/34/527271934.db2.gz WAEOGAWMWDNWKA-IUODEOHRSA-N 0 3 271.364 2.419 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000353796882 527288029 /nfs/dbraw/zinc/28/80/29/527288029.db2.gz JFIVVASKFBTICR-ZNMIVQPWSA-N 0 3 279.428 2.467 20 30 CEEDHN CCCN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348193104 527811276 /nfs/dbraw/zinc/81/12/76/527811276.db2.gz KMOMVOAESZDQPM-AWEZNQCLSA-N 0 3 255.321 2.109 20 30 CEEDHN CCN(CCC1CC1)CC(=O)N[C@](C)(C#N)C(C)C ZINC000355068681 528423090 /nfs/dbraw/zinc/42/30/90/528423090.db2.gz YSJWIFOIILTHJE-OAHLLOKOSA-N 0 3 265.401 2.163 20 30 CEEDHN CC(C)N1CCC[C@H](NC(=O)C2(C#N)CCCCC2)C1 ZINC000336058145 529026574 /nfs/dbraw/zinc/02/65/74/529026574.db2.gz UZUXYPIQZYTKHQ-AWEZNQCLSA-N 0 3 277.412 2.449 20 30 CEEDHN CC[C@H](C)Oc1cc(CNC(=O)C(C)C#N)ccn1 ZINC000347884952 529190826 /nfs/dbraw/zinc/19/08/26/529190826.db2.gz BKLYNMZTVUSTFU-MNOVXSKESA-N 0 3 261.325 2.035 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)Cc1nnc(C)o1 ZINC000330122664 529271959 /nfs/dbraw/zinc/27/19/59/529271959.db2.gz HIVHWWYESZTQHR-GFCCVEGCSA-N 0 3 280.372 2.142 20 30 CEEDHN CC[C@@H]1CCCC[C@H]1N(C)CC(=O)NC1(C#N)CCC1 ZINC000347204096 529288547 /nfs/dbraw/zinc/28/85/47/529288547.db2.gz GWOPQDQVIUPVGM-ZIAGYGMSSA-N 0 3 277.412 2.449 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H]1COCC1(C)C ZINC000313018130 536645902 /nfs/dbraw/zinc/64/59/02/536645902.db2.gz IYSFMUXTVGXWJH-AWEZNQCLSA-N 0 3 260.337 2.081 20 30 CEEDHN COc1cc(CNC[C@H](OC)C(C)C)ccc1C#N ZINC000281665485 536800755 /nfs/dbraw/zinc/80/07/55/536800755.db2.gz LDPSTELRHTXYEA-HNNXBMFYSA-N 0 3 262.353 2.327 20 30 CEEDHN N#CC(C(=O)CCNC(=O)C1CCCCC1)c1ccccn1 ZINC000726320001 574425556 /nfs/dbraw/zinc/42/55/56/574425556.db2.gz LVHIETGDQFQTOM-CQSZACIVSA-N 0 3 299.374 2.344 20 30 CEEDHN C[C@@H](CO)NN=C1CCCC[C@H]1N1C[C@H](C)C[C@H](C)C1 ZINC000751529878 574470401 /nfs/dbraw/zinc/47/04/01/574470401.db2.gz UDLVYPWJZSWFGJ-KNCOVGOOSA-N 0 3 281.444 2.233 20 30 CEEDHN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccs1 ZINC000753929182 574519961 /nfs/dbraw/zinc/51/99/61/574519961.db2.gz PINOJJXURFAKCX-QWRGUYRKSA-N 0 3 262.382 2.332 20 30 CEEDHN Cc1ccccc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753937611 574520095 /nfs/dbraw/zinc/52/00/95/574520095.db2.gz FCAPIIFYPKDFLN-ZIAGYGMSSA-N 0 3 256.353 2.189 20 30 CEEDHN CN(C(=O)/C=C\c1ccccc1C#N)[C@H]1CCN(C2CC2)C1 ZINC000732034289 574610381 /nfs/dbraw/zinc/61/03/81/574610381.db2.gz FPYMXSIQWKLMLD-SKHCZCESSA-N 0 3 295.386 2.267 20 30 CEEDHN N#CC(C(=O)C=CC1CCOCC1)c1ccccn1 ZINC000732708231 574626738 /nfs/dbraw/zinc/62/67/38/574626738.db2.gz OUEAAIJRAXKTOE-ZFDPJTLLSA-N 0 3 256.305 2.241 20 30 CEEDHN C#Cc1cccc(NC(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000741751301 574673089 /nfs/dbraw/zinc/67/30/89/574673089.db2.gz CBDXOKCDTSTHRU-WFASDCNBSA-N 0 3 271.364 2.272 20 30 CEEDHN C[C@H]1CC(=Nn2cnnc2)CCN1Cc1ccccc1 ZINC000734295090 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C=C(C)C[N@@H+](CC)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000735399980 574756638 /nfs/dbraw/zinc/75/66/38/574756638.db2.gz YVDKOFDIKOXQKG-UHFFFAOYSA-N 0 3 275.331 2.404 20 30 CEEDHN C=C(C)C[N@H+](CC)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000735399980 574756639 /nfs/dbraw/zinc/75/66/39/574756639.db2.gz YVDKOFDIKOXQKG-UHFFFAOYSA-N 0 3 275.331 2.404 20 30 CEEDHN C=C(C)C[N@@H+](CC)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000735399980 574756640 /nfs/dbraw/zinc/75/66/40/574756640.db2.gz YVDKOFDIKOXQKG-UHFFFAOYSA-N 0 3 275.331 2.404 20 30 CEEDHN C=C(C)C[N@H+](CC)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000735399980 574756641 /nfs/dbraw/zinc/75/66/41/574756641.db2.gz YVDKOFDIKOXQKG-UHFFFAOYSA-N 0 3 275.331 2.404 20 30 CEEDHN CC(C#N)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000735842421 574769714 /nfs/dbraw/zinc/76/97/14/574769714.db2.gz KTOLCJHGAQNUJX-DOMZBBRYSA-N 0 3 272.348 2.118 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2ccc3c(c2)CCC3)CC1 ZINC000740737697 574967084 /nfs/dbraw/zinc/96/70/84/574967084.db2.gz JQUSVSDLGBYTSU-UHFFFAOYSA-N 0 3 296.414 2.393 20 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C#CCN[C@@H]1CCN(C(=O)Cc2cccc3sccc32)C1 ZINC000970184222 612961559 /nfs/dbraw/zinc/96/15/59/612961559.db2.gz OHDKQICHDUZPKC-CQSZACIVSA-N 0 3 298.411 2.268 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc3sccc3c2)C1 ZINC000970381524 612966219 /nfs/dbraw/zinc/96/62/19/612966219.db2.gz KBJZKALHSQELJM-CQSZACIVSA-N 0 3 284.384 2.339 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cccc(C(F)F)c2F)C1 ZINC000968709526 612966224 /nfs/dbraw/zinc/96/62/24/612966224.db2.gz JSUXQFKYTYJAGJ-SNVBAGLBSA-N 0 3 296.292 2.201 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC000970386186 612993927 /nfs/dbraw/zinc/99/39/27/612993927.db2.gz YPSQNZGGDNIXGJ-ZIAGYGMSSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CC23CCCC3)C1 ZINC000970699277 612996344 /nfs/dbraw/zinc/99/63/44/612996344.db2.gz GTTVQPNKIAOIHE-ZFWWWQNUSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000970853855 612997500 /nfs/dbraw/zinc/99/75/00/612997500.db2.gz HSNGXUABDCBHJC-ZDUSSCGKSA-N 0 3 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CC[C@H](C)[C@H](OC)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000796629813 630871653 /nfs/dbraw/zinc/87/16/53/630871653.db2.gz ABBYXGRFVDHQKS-UAKXVISKSA-N 0 3 275.352 2.331 20 30 CEEDHN CC#CCCNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000897336127 631137304 /nfs/dbraw/zinc/13/73/04/631137304.db2.gz QARYVAJOKKYNBD-INIZCTEOSA-N 0 3 288.391 2.264 20 30 CEEDHN C[C@H](C#N)OCCN(C)CCOc1ccc(F)cc1 ZINC000801909484 631349104 /nfs/dbraw/zinc/34/91/04/631349104.db2.gz CZMFXSLXHVRGIU-GFCCVEGCSA-N 0 3 266.316 2.065 20 30 CEEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc[nH]2)nc(C)n1 ZINC000802037953 631376689 /nfs/dbraw/zinc/37/66/89/631376689.db2.gz DCCYYLBCGACAPX-CFHLNLSMSA-N 0 3 266.304 2.311 20 30 CEEDHN C=CCN1CCN(CN(C)[C@@H]2CCC[C@H](C)C2)C1=O ZINC000839962532 631422638 /nfs/dbraw/zinc/42/26/38/631422638.db2.gz YGQYZUIIFWSQRK-UONOGXRCSA-N 0 3 265.401 2.378 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2sc(C)cc2C)C1 ZINC000988899058 631707169 /nfs/dbraw/zinc/70/71/69/631707169.db2.gz NNZUNFHQKBAZKM-YPMHNXCESA-N 0 3 276.405 2.191 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(C)sc2C)C1 ZINC000989141211 631734855 /nfs/dbraw/zinc/73/48/55/631734855.db2.gz QGALBGRJMXDGTA-GXFFZTMASA-N 0 3 276.405 2.191 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(C)cc(Cl)c2)C1 ZINC000989186885 631745708 /nfs/dbraw/zinc/74/57/08/631745708.db2.gz IXCQFGYLLLYAJP-DOMZBBRYSA-N 0 3 290.794 2.474 20 30 CEEDHN C=C(CNC(=S)NC1CCN(C)CC1)c1ccccc1 ZINC000806595210 631757970 /nfs/dbraw/zinc/75/79/70/631757970.db2.gz SFQZRDUQOPHUOH-UHFFFAOYSA-N 0 3 289.448 2.258 20 30 CEEDHN C#CCCCNC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000806877161 631785676 /nfs/dbraw/zinc/78/56/76/631785676.db2.gz OUYVVZPOLJZPHO-KBPBESRZSA-N 0 3 291.395 2.421 20 30 CEEDHN C[C@@H](Cc1ccc(Cl)cc1)N(C)C[C@H](O)CC#N ZINC000809574034 632099250 /nfs/dbraw/zinc/09/92/50/632099250.db2.gz DJZAOIFLGZWSSW-SMDDNHRTSA-N 0 3 266.772 2.477 20 30 CEEDHN C#Cc1ccccc1CC(=O)N1CCN(C2CCCC2)CC1 ZINC000810060655 632174710 /nfs/dbraw/zinc/17/47/10/632174710.db2.gz BTYVSDCHYOGXSM-UHFFFAOYSA-N 0 3 296.414 2.297 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCC3(CC3)C2)CC1 ZINC000888702031 650053686 /nfs/dbraw/zinc/05/36/86/650053686.db2.gz HNKGOZUWKXXKFN-HNNXBMFYSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc3c(c2)C=CCC3)C1 ZINC000989536713 632199810 /nfs/dbraw/zinc/19/98/10/632199810.db2.gz OIHOLNBKKIYJEN-RDTXWAMCSA-N 0 3 294.398 2.472 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2ccccc2OC)CC1 ZINC000989540991 632202129 /nfs/dbraw/zinc/20/21/29/632202129.db2.gz UDNORMYGQAKCJS-UHFFFAOYSA-N 0 3 288.391 2.419 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(Cl)ccc2C)C1 ZINC000989570773 632206978 /nfs/dbraw/zinc/20/69/78/632206978.db2.gz BNAFSMZKUHENCG-OCCSQVGLSA-N 0 3 290.794 2.474 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(F)cc2Cl)C1 ZINC000989748439 632233212 /nfs/dbraw/zinc/23/32/12/632233212.db2.gz ITOVBLZUHNRLBN-ZYHUDNBSSA-N 0 3 294.757 2.305 20 30 CEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@](C)(C#N)C2)C1 ZINC000810673060 632255472 /nfs/dbraw/zinc/25/54/72/632255472.db2.gz SWEXNMLMQJOGLQ-CVEARBPZSA-N 0 3 295.402 2.351 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3c(C)noc3C)CCC[C@H]12 ZINC000989945455 632286432 /nfs/dbraw/zinc/28/64/32/632286432.db2.gz MAGVOMOEIFAEKE-BBRMVZONSA-N 0 3 289.379 2.204 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(C)nc3)CCC[C@@H]12 ZINC000989953383 632289666 /nfs/dbraw/zinc/28/96/66/632289666.db2.gz BAEUPWYPDIJCTO-NVXWUHKLSA-N 0 3 285.391 2.303 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)C3CC3)CCC[C@H]12 ZINC000990152258 632320711 /nfs/dbraw/zinc/32/07/11/632320711.db2.gz XHIRFPFEPWZIIC-IVMMDQJWSA-N 0 3 262.397 2.332 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)C3C(C)(C)C3(C)C)CCC[C@@H]12 ZINC000990147341 632320757 /nfs/dbraw/zinc/32/07/57/632320757.db2.gz BOQXZBJXRBOOMZ-ACJLOTCBSA-N 0 3 288.435 2.415 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)C3CC3)CCC[C@@H]12 ZINC000990152266 632321072 /nfs/dbraw/zinc/32/10/72/632321072.db2.gz XHIRFPFEPWZIIC-XNRPHZJLSA-N 0 3 262.397 2.332 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3c(C)ccn3C)CCC[C@H]12 ZINC000990438852 632356507 /nfs/dbraw/zinc/35/65/07/632356507.db2.gz SQQXPBNJBRVDMK-MAUKXSAKSA-N 0 3 299.418 2.084 20 30 CEEDHN C=C1CN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000898695751 632583358 /nfs/dbraw/zinc/58/33/58/632583358.db2.gz IQECWGBJNIIEDS-UHFFFAOYSA-N 0 3 299.418 2.229 20 30 CEEDHN CCC[C@H](C#N)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000813431714 632690694 /nfs/dbraw/zinc/69/06/94/632690694.db2.gz MCCFEZONOHQZFX-MGPQQGTHSA-N 0 3 286.331 2.099 20 30 CEEDHN Cc1ncc([C@H](C)NCCNc2ccc(C#N)cn2)c(C)n1 ZINC000927166781 632698909 /nfs/dbraw/zinc/69/89/09/632698909.db2.gz YRRAVWDINMCJNT-NSHDSACASA-N 0 3 296.378 2.123 20 30 CEEDHN CON(C)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000814660749 632876060 /nfs/dbraw/zinc/87/60/60/632876060.db2.gz ZTEFQUYFFNUXNY-CQSZACIVSA-N 0 3 275.352 2.031 20 30 CEEDHN N#CCCOCCN[C@H](Cn1cccn1)c1ccccc1 ZINC000815071699 632954628 /nfs/dbraw/zinc/95/46/28/632954628.db2.gz QTGHCWROTGQKMK-MRXNPFEDSA-N 0 3 284.363 2.144 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1(C#N)CC1 ZINC000815897584 633075255 /nfs/dbraw/zinc/07/52/55/633075255.db2.gz AQVKKMMGZBUQGI-LLVKDONJSA-N 0 3 278.315 2.443 20 30 CEEDHN COc1ccc(NC(=O)C(C#N)C(=O)CC2(C#N)CC2)cc1 ZINC000815909978 633078527 /nfs/dbraw/zinc/07/85/27/633078527.db2.gz MIXJUWMWICLOIC-ZDUSSCGKSA-N 0 3 297.314 2.036 20 30 CEEDHN N#Cc1csc(CN2CCC[C@H](C3OCCO3)C2)c1 ZINC000179374308 633856832 /nfs/dbraw/zinc/85/68/32/633856832.db2.gz MMGSQKUEUYTTMT-LBPRGKRZSA-N 0 3 278.377 2.205 20 30 CEEDHN C#CCN(C)CCCNC(=O)CO[C@H]1CCCC[C@@H]1CC ZINC000818589278 633953420 /nfs/dbraw/zinc/95/34/20/633953420.db2.gz VFRKAECHOBTJOQ-HOTGVXAUSA-N 0 3 294.439 2.043 20 30 CEEDHN N#Cc1ccc([C@@H](NCC2CCC=CCC2)C(N)=O)cc1 ZINC000901629777 634216580 /nfs/dbraw/zinc/21/65/80/634216580.db2.gz FCKAKNJROSJERL-MRXNPFEDSA-N 0 3 283.375 2.421 20 30 CEEDHN COc1cccc([C@H](O)CN[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902799162 634839159 /nfs/dbraw/zinc/83/91/59/634839159.db2.gz AIHCEANAEMPVAQ-YVEFUNNKSA-N 0 3 297.358 2.346 20 30 CEEDHN C[C@@H](NCC1(O)Cc2ccccc2C1)c1cc(C#N)ccn1 ZINC000902812218 634847214 /nfs/dbraw/zinc/84/72/14/634847214.db2.gz PNLVVXRWRMAFKL-CYBMUJFWSA-N 0 3 293.370 2.134 20 30 CEEDHN C[C@@H](N[C@@H]1CCN(c2ccccn2)C1)c1cc(C#N)ccn1 ZINC000902888220 634880846 /nfs/dbraw/zinc/88/08/46/634880846.db2.gz QYGJTFULRHJYAS-UKRRQHHQSA-N 0 3 293.374 2.278 20 30 CEEDHN C[C@@H](NCCc1ccns1)c1cc(C#N)ccn1 ZINC000903087100 634962838 /nfs/dbraw/zinc/96/28/38/634962838.db2.gz JWZHFXMOMYZBHQ-SNVBAGLBSA-N 0 3 258.350 2.303 20 30 CEEDHN C=CCOc1ccccc1CN[C@H]1CCO[C@@]12CCOC2 ZINC000903091783 634974212 /nfs/dbraw/zinc/97/42/12/634974212.db2.gz ATIXQCZTGGYFQS-DLBZAZTESA-N 0 3 289.375 2.289 20 30 CEEDHN CCN1CCC[C@@H](N[C@H]2CCc3ccc(C#N)cc32)C1=O ZINC000903388238 635099262 /nfs/dbraw/zinc/09/92/62/635099262.db2.gz MCPARQSBHHAESO-JKSUJKDBSA-N 0 3 283.375 2.146 20 30 CEEDHN C=CCC[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1)C1CC1 ZINC000903398834 635108889 /nfs/dbraw/zinc/10/88/89/635108889.db2.gz UHFAZXONRQZJOD-UONOGXRCSA-N 0 3 288.395 2.095 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(OC)ccc1OCOC ZINC000824861041 635514548 /nfs/dbraw/zinc/51/45/48/635514548.db2.gz DZIZFHFYWFALKS-CABCVRRESA-N 0 3 293.363 2.111 20 30 CEEDHN Oc1ccccc1/C=N\[C@@H]1CCCN2CCSC[C@H]12 ZINC000905002710 635774173 /nfs/dbraw/zinc/77/41/73/635774173.db2.gz KPTOUXMLJCIPKW-PJMOXLGBSA-N 0 3 276.405 2.391 20 30 CEEDHN CCCCCCCCCNC(=O)C[C@H]1CNCCO1 ZINC000826597033 635792120 /nfs/dbraw/zinc/79/21/20/635792120.db2.gz BLPTYIHCLHTFEQ-AWEZNQCLSA-N 0 3 270.417 2.232 20 30 CEEDHN CC1/C(=C/c2c(Cl)nc(Cl)n2C)C(=O)c2ncnn21 ZINC000905079305 635796559 /nfs/dbraw/zinc/79/65/59/635796559.db2.gz ANNOBLMKUMAYHM-NSHLVMESSA-N 0 3 298.133 2.159 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCCC[C@H]1C1CCC1 ZINC000827114369 636219864 /nfs/dbraw/zinc/21/98/64/636219864.db2.gz KDKCKDXZQLFVLP-INIZCTEOSA-N 0 3 291.439 2.306 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)/C=C/c2ccccc2C#N)CCN1C ZINC000827499434 636337711 /nfs/dbraw/zinc/33/77/11/636337711.db2.gz FTVBSQYAFOZRMQ-KBOKABMXSA-N 0 3 297.402 2.370 20 30 CEEDHN C#C[C@H](NCc1ccc(F)nc1C)C1CCOCC1 ZINC000827560396 636352956 /nfs/dbraw/zinc/35/29/56/636352956.db2.gz POWHRLHWOMAJIF-AWEZNQCLSA-N 0 3 262.328 2.047 20 30 CEEDHN C#C[C@H](NCc1c(CC)nn(C)c1CC)C1CCOCC1 ZINC000827565159 636354795 /nfs/dbraw/zinc/35/47/95/636354795.db2.gz JLIBCQKYTPAPDZ-HNNXBMFYSA-N 0 3 289.423 2.063 20 30 CEEDHN C#C[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000827571274 636357614 /nfs/dbraw/zinc/35/76/14/636357614.db2.gz YESWEUSYFUJMEE-OAHLLOKOSA-N 0 3 288.347 2.421 20 30 CEEDHN Cc1cc(C#N)cc(C)c1Cn1cc([C@@H](N)C(C)C)nn1 ZINC000905828200 636490065 /nfs/dbraw/zinc/49/00/65/636490065.db2.gz SEHCRHPYKFPJBR-INIZCTEOSA-N 0 3 283.379 2.471 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)C(C)(C)N1CCCCC1 ZINC000906237915 636669873 /nfs/dbraw/zinc/66/98/73/636669873.db2.gz AGUMZZFRIPLMSL-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN C[C@@H]1CCN(CCNC(=O)[C@]2(C#N)CC3CCC2CC3)C1 ZINC000906873037 636873121 /nfs/dbraw/zinc/87/31/21/636873121.db2.gz ZWIBSIIPXVCBIQ-VXTDNTOSSA-N 0 3 289.423 2.164 20 30 CEEDHN C#CC[C@H]1CCCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000829768240 636925958 /nfs/dbraw/zinc/92/59/58/636925958.db2.gz AJQQXLYJGCMTBQ-XHSDSOJGSA-N 0 3 276.424 2.226 20 30 CEEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)NCc2ccccc2)C1 ZINC000829775163 636928256 /nfs/dbraw/zinc/92/82/56/636928256.db2.gz YSBBSLGOBVOQHL-WBVHZDCISA-N 0 3 284.403 2.427 20 30 CEEDHN C#CC1CCN([C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000830311313 637032559 /nfs/dbraw/zinc/03/25/59/637032559.db2.gz JVRRCNJKOZRTGF-CQSZACIVSA-N 0 3 270.376 2.037 20 30 CEEDHN C#CC1CCN([C@H](C)C(=O)NCCc2ccccc2C)CC1 ZINC000830316607 637033640 /nfs/dbraw/zinc/03/36/40/637033640.db2.gz ZPILTMNBQMAEHM-MRXNPFEDSA-N 0 3 298.430 2.387 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000876547327 650317988 /nfs/dbraw/zinc/31/79/88/650317988.db2.gz OTCJAXURIHYLHB-JTQLQIEISA-N 0 3 284.743 2.112 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc2c1CCN2 ZINC000876540363 650313168 /nfs/dbraw/zinc/31/31/68/650313168.db2.gz HLUNVIAOYDJQCC-SNVBAGLBSA-N 0 3 265.744 2.063 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1c2ccccc2C[C@@H]1C ZINC000876544576 650315808 /nfs/dbraw/zinc/31/58/08/650315808.db2.gz WKXHNFIOLZATJO-JQWIXIFHSA-N 0 3 264.756 2.434 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000876551756 650322202 /nfs/dbraw/zinc/32/22/02/650322202.db2.gz VTBVYCFYAJPIRG-NSHDSACASA-N 0 3 296.754 2.190 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000831682971 637409774 /nfs/dbraw/zinc/40/97/74/637409774.db2.gz HBVUUDSCWYKHKZ-YPMHNXCESA-N 0 3 266.272 2.167 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(OCC)cc1 ZINC000876584215 650345496 /nfs/dbraw/zinc/34/54/96/650345496.db2.gz DSWZMBSDPLRBCY-ZDUSSCGKSA-N 0 3 282.771 2.171 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C)s1 ZINC000876579758 650343340 /nfs/dbraw/zinc/34/33/40/650343340.db2.gz KHRMMKDAPTUXLF-JTQLQIEISA-N 0 3 258.774 2.143 20 30 CEEDHN CC(C)N1CCC[C@@H](NC(=O)c2cc(C#N)ccc2F)C1 ZINC000832297869 637537479 /nfs/dbraw/zinc/53/74/79/637537479.db2.gz WGFRXTLNHCGGMN-CYBMUJFWSA-N 0 3 289.354 2.300 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C)cc1C ZINC000876586684 650346273 /nfs/dbraw/zinc/34/62/73/650346273.db2.gz KHCLJZAWACVJGP-CYBMUJFWSA-N 0 3 266.772 2.390 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1CC(C)C ZINC000876591781 650349299 /nfs/dbraw/zinc/34/92/99/650349299.db2.gz OZXHRENDKNDARZ-NEPJUHHUSA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000876593654 650351043 /nfs/dbraw/zinc/35/10/43/650351043.db2.gz PGCMUIPRACOGNY-KGLIPLIRSA-N 0 3 278.783 2.472 20 30 CEEDHN CO[C@H]1CCCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000876609932 650357917 /nfs/dbraw/zinc/35/79/17/650357917.db2.gz UDTFJLUSZYHUBX-HNNXBMFYSA-N 0 3 273.380 2.235 20 30 CEEDHN Cc1ccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1C#N ZINC000832950019 637703914 /nfs/dbraw/zinc/70/39/14/637703914.db2.gz UQSFZTDTQUDCIB-ZDUSSCGKSA-N 0 3 297.402 2.423 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)c1ccc(F)c(F)c1 ZINC000876621182 650364021 /nfs/dbraw/zinc/36/40/21/650364021.db2.gz XMIGAGTUYPZLRM-LLVKDONJSA-N 0 3 274.698 2.398 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ncc(CC)s1 ZINC000876624241 650364445 /nfs/dbraw/zinc/36/44/45/650364445.db2.gz BKBMWNBDOKQUPL-MRVPVSSYSA-N 0 3 259.762 2.114 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1COc2c1ccc(C)c2C ZINC000876647329 650373522 /nfs/dbraw/zinc/37/35/22/650373522.db2.gz JGBBSIKYEAIHAA-STQMWFEESA-N 0 3 294.782 2.323 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCc2sccc2C1 ZINC000876653162 650377319 /nfs/dbraw/zinc/37/73/19/650377319.db2.gz OUPJAROTHGWKQL-LLVKDONJSA-N 0 3 284.812 2.493 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](OCCC)CC1 ZINC000876651805 650377364 /nfs/dbraw/zinc/37/73/64/650377364.db2.gz GLMONIJIRXPESU-STQMWFEESA-N 0 3 288.819 2.264 20 30 CEEDHN Nc1ccc2c(c1)CCC2=NNC[C@@H]1CCSC1 ZINC000834978965 638007770 /nfs/dbraw/zinc/00/77/70/638007770.db2.gz DUOIUJZYHYSXKO-JTQLQIEISA-N 0 3 261.394 2.262 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ncc(C(C)(C)C)o1 ZINC000876666393 650388691 /nfs/dbraw/zinc/38/86/91/650388691.db2.gz QKYFKDZIDOYEJV-SECBINFHSA-N 0 3 285.775 2.058 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](CCC)C1 ZINC000876687206 650399916 /nfs/dbraw/zinc/39/99/16/650399916.db2.gz GFZUXLKBXLUUAK-RYUDHWBXSA-N 0 3 258.793 2.495 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)c1c(C)nn(C)c1C ZINC000876690182 650401859 /nfs/dbraw/zinc/40/18/59/650401859.db2.gz GTMFEAFUKLSQLZ-VXGBXAGGSA-N 0 3 298.818 2.074 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000911202038 638259198 /nfs/dbraw/zinc/25/91/98/638259198.db2.gz TZYRMZFFWYWDAV-UMPYDWHISA-N 0 3 289.423 2.259 20 30 CEEDHN C=CCOc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000835455703 638263220 /nfs/dbraw/zinc/26/32/20/638263220.db2.gz OJQBFDMSCSSHPB-LLVKDONJSA-N 0 3 279.292 2.002 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)CCN2 ZINC000911717293 638370211 /nfs/dbraw/zinc/37/02/11/638370211.db2.gz BQPHVNMXXBEOGA-CYBMUJFWSA-N 0 3 259.353 2.277 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(F)cc1 ZINC000911955566 638495789 /nfs/dbraw/zinc/49/57/89/638495789.db2.gz GLPRAULVFKFOHV-CYBMUJFWSA-N 0 3 250.317 2.126 20 30 CEEDHN C=CC[C@H](NC(=O)[C@@H](N)CC(=C)Cl)c1ccncc1 ZINC000876765550 650425704 /nfs/dbraw/zinc/42/57/04/650425704.db2.gz VBGDBOGCCFMNCR-STQMWFEESA-N 0 3 279.771 2.285 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000912084667 638540076 /nfs/dbraw/zinc/54/00/76/638540076.db2.gz YIQONUXZZHCOPQ-ZDUSSCGKSA-N 0 3 290.363 2.057 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1cccnc1 ZINC000876787292 650431187 /nfs/dbraw/zinc/43/11/87/650431187.db2.gz GDANOVRNCPILBT-STQMWFEESA-N 0 3 279.771 2.215 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCCC(C)(C)C1 ZINC000836416474 638627585 /nfs/dbraw/zinc/62/75/85/638627585.db2.gz AADIIBSVTSZYKF-AWEZNQCLSA-N 0 3 279.428 2.210 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1ccc(C)s1 ZINC000836431317 638630892 /nfs/dbraw/zinc/63/08/92/638630892.db2.gz FDPZOXVHPJAPGI-ZDUSSCGKSA-N 0 3 293.436 2.372 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000912275490 638637860 /nfs/dbraw/zinc/63/78/60/638637860.db2.gz NJLQWNRXXARHRR-CYBMUJFWSA-N 0 3 287.363 2.193 20 30 CEEDHN CCN(C(=O)Cc1c(C)cc(C#N)cc1C)[C@@H]1CCN(C)C1 ZINC000912308252 638644287 /nfs/dbraw/zinc/64/42/87/638644287.db2.gz WAGDPTFEHYSCMX-MRXNPFEDSA-N 0 3 299.418 2.270 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000836488099 638648093 /nfs/dbraw/zinc/64/80/93/638648093.db2.gz LIEPSJNKPJOEHB-GJZGRUSLSA-N 0 3 279.428 2.067 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000836489444 638649005 /nfs/dbraw/zinc/64/90/05/638649005.db2.gz ZQQHCDBLRXDQCP-HRCADAONSA-N 0 3 291.439 2.210 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000912407877 638682701 /nfs/dbraw/zinc/68/27/01/638682701.db2.gz RSZJBGPMQFRBHO-ILXRZTDVSA-N 0 3 282.428 2.382 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)[C@@]2(C#N)CC3CCC2CC3)C1 ZINC000912684453 638758492 /nfs/dbraw/zinc/75/84/92/638758492.db2.gz WUACAERECDHDAZ-OCUYMYNFSA-N 0 3 289.423 2.307 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)[C@H](C)c1cccnc1 ZINC000876884432 650472856 /nfs/dbraw/zinc/47/28/56/650472856.db2.gz IXLNEXSUFMNTJX-YPMHNXCESA-N 0 3 281.787 2.461 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2cccc(F)c21 ZINC000876893618 650476981 /nfs/dbraw/zinc/47/69/81/650476981.db2.gz GTEZWQUTMYSVQC-LLVKDONJSA-N 0 3 268.719 2.185 20 30 CEEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC000837359331 639201443 /nfs/dbraw/zinc/20/14/43/639201443.db2.gz BQQQPXCPUBZOGF-YOEHRIQHSA-N 0 3 282.387 2.352 20 30 CEEDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)C#CC1CC1 ZINC000913097529 639201355 /nfs/dbraw/zinc/20/13/55/639201355.db2.gz NTGJFQUXBKYMOI-CRAIPNDOSA-N 0 3 296.414 2.427 20 30 CEEDHN COC1CCN(C(C)(C)CNC(=O)C#CC(C)(C)C)CC1 ZINC000837404581 639216344 /nfs/dbraw/zinc/21/63/44/639216344.db2.gz MTXDPQITXXBYGC-UHFFFAOYSA-N 0 3 294.439 2.042 20 30 CEEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000837583575 639294394 /nfs/dbraw/zinc/29/43/94/639294394.db2.gz ZPZZENXFJDPMLW-CQSZACIVSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CCC(CC#C)C(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000837716421 639355264 /nfs/dbraw/zinc/35/52/64/639355264.db2.gz MNTCFUXSYSBGLB-SFHVURJKSA-N 0 3 295.382 2.467 20 30 CEEDHN C=CCC(C)(C)CNC(=S)NC1CCN(C)CC1 ZINC000840749795 639535597 /nfs/dbraw/zinc/53/55/97/639535597.db2.gz PLNXUIGGPXLSBU-UHFFFAOYSA-N 0 3 269.458 2.147 20 30 CEEDHN C#CCOc1ccc([C@H](C)N[C@H](C)C(=O)NC(C)C)cc1 ZINC000840890449 639575444 /nfs/dbraw/zinc/57/54/44/639575444.db2.gz MOJNHHSLZHWTFQ-UONOGXRCSA-N 0 3 288.391 2.262 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001014919221 639651632 /nfs/dbraw/zinc/65/16/32/639651632.db2.gz KEVMNDBTIZZBOQ-HOTGVXAUSA-N 0 3 274.408 2.337 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccnn1C(C)(C)C ZINC000876976726 650515493 /nfs/dbraw/zinc/51/54/93/650515493.db2.gz RPZIOJKPCSHMJY-SECBINFHSA-N 0 3 270.764 2.047 20 30 CEEDHN CCS[C@@H](C(=O)C(C#N)C(=O)N1CCCC1)C(C)C ZINC000171363584 639715765 /nfs/dbraw/zinc/71/57/65/639715765.db2.gz ULARBYFWJIKUJB-DGCLKSJQSA-N 0 3 282.409 2.095 20 30 CEEDHN CO[C@H](C)CCNCc1cc(C#N)cnc1Cl ZINC000876997040 650525440 /nfs/dbraw/zinc/52/54/40/650525440.db2.gz LSMYBOHAZVUCFI-SECBINFHSA-N 0 3 253.733 2.121 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)c1ccc(C)cn1 ZINC000877011691 650531416 /nfs/dbraw/zinc/53/14/16/650531416.db2.gz HBJJXZFTCIZGTB-LBPRGKRZSA-N 0 3 295.814 2.254 20 30 CEEDHN CC(C)[C@H](CNCCC#N)CNC(=O)OC(C)(C)C ZINC000230935175 639804961 /nfs/dbraw/zinc/80/49/61/639804961.db2.gz KSJRLLVZTDDFOC-GFCCVEGCSA-N 0 3 269.389 2.287 20 30 CEEDHN CCN(CC)c1ccc(C=NN2CCC[C@@H]2CO)cc1 ZINC000841663337 639829391 /nfs/dbraw/zinc/82/93/91/639829391.db2.gz YHDTVISQHIRYPD-MRXNPFEDSA-N 0 3 275.396 2.323 20 30 CEEDHN C#CC[C@H](NC(=O)N1CCN[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000841865158 639891427 /nfs/dbraw/zinc/89/14/27/639891427.db2.gz MBGYRXIJZIZCGS-DZKIICNBSA-N 0 3 285.391 2.143 20 30 CEEDHN Cc1noc(CCCNCc2cc(C#N)cnc2Cl)n1 ZINC000877024238 650535600 /nfs/dbraw/zinc/53/56/00/650535600.db2.gz WLHBIHZXTSKFRT-UHFFFAOYSA-N 0 3 291.742 2.021 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)CCC[C@@H]12 ZINC000992127410 639968088 /nfs/dbraw/zinc/96/80/88/639968088.db2.gz JDPNQAOCSLGWPA-JFBPSJKJSA-N 0 3 286.419 2.169 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3cc(C)[nH]c3C)CCC[C@@H]12 ZINC000992287670 640015923 /nfs/dbraw/zinc/01/59/23/640015923.db2.gz IAKSLOUGHXLXKE-SJLPKXTDSA-N 0 3 299.418 2.382 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000877043484 650544311 /nfs/dbraw/zinc/54/43/11/650544311.db2.gz KESCTKJEAXMAQP-HBNTYKKESA-N 0 3 270.785 2.190 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)c1ccnn1CCN(C)C ZINC000913649055 640055901 /nfs/dbraw/zinc/05/59/01/640055901.db2.gz UBYXCEIIXYAFCZ-UHFFFAOYSA-N 0 3 292.427 2.167 20 30 CEEDHN C#CC[C@H]1CCCN(CN2C(=O)C(C)(C)C2(C)C)C1 ZINC000842630113 640125506 /nfs/dbraw/zinc/12/55/06/640125506.db2.gz XQWJWXUHBZOOKU-ZDUSSCGKSA-N 0 3 262.397 2.326 20 30 CEEDHN C#CCN(C(=O)N[C@@H]1CCCC[C@@H]1C)C1CCN(C)CC1 ZINC000913856673 640142432 /nfs/dbraw/zinc/14/24/32/640142432.db2.gz NFFXQJNEWGKGNS-GOEBONIOSA-N 0 3 291.439 2.304 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC2(CC2)CC1 ZINC000877093687 650568942 /nfs/dbraw/zinc/56/89/42/650568942.db2.gz UWVPVFAFPYFJPU-NSHDSACASA-N 0 3 256.777 2.249 20 30 CEEDHN C=CCC(C)(C)c1noc(C[C@@H]2CSCCN2)n1 ZINC000843233838 640361550 /nfs/dbraw/zinc/36/15/50/640361550.db2.gz CETSQBGEDVMIFK-SNVBAGLBSA-N 0 3 267.398 2.171 20 30 CEEDHN C#CC[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000843669791 640491941 /nfs/dbraw/zinc/49/19/41/640491941.db2.gz SJFHGFOYDAIXNO-YOEHRIQHSA-N 0 3 294.414 2.461 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(F)cn2)[C@@H]1C ZINC000993234084 640566106 /nfs/dbraw/zinc/56/61/06/640566106.db2.gz PTKINONWJFDVMA-JSGCOSHPSA-N 0 3 291.370 2.380 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2csnc2C)[C@@H]1C ZINC000993232382 640566503 /nfs/dbraw/zinc/56/65/03/640566503.db2.gz ZSWDFMALGQUPBQ-GXTWGEPZSA-N 0 3 291.420 2.058 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2c(C)ccn2C)[C@@H]1C ZINC000993254925 640569781 /nfs/dbraw/zinc/56/97/81/640569781.db2.gz GEFUSVFPEYWACO-GJZGRUSLSA-N 0 3 289.423 2.492 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2coc(C)c2)[C@H]1C ZINC000993299374 640574854 /nfs/dbraw/zinc/57/48/54/640574854.db2.gz ICZSPBQQRWYLBG-HIFRSBDPSA-N 0 3 274.364 2.194 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(CC)o2)[C@@H]1C ZINC000993489154 640651785 /nfs/dbraw/zinc/65/17/85/640651785.db2.gz RCAORJMQUMJDKB-DZGCQCFKSA-N 0 3 288.391 2.448 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(CC)o2)[C@@H]1C ZINC000993489164 640651870 /nfs/dbraw/zinc/65/18/70/640651870.db2.gz RCAORJMQUMJDKB-ZFWWWQNUSA-N 0 3 288.391 2.448 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ncc(C)cc2C)[C@@H]1C ZINC000993626778 640664034 /nfs/dbraw/zinc/66/40/34/640664034.db2.gz WNGDTWHQADDPSW-JKSUJKDBSA-N 0 3 299.418 2.304 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)c(C)cn2)[C@@H]1C ZINC000993627381 640664584 /nfs/dbraw/zinc/66/45/84/640664584.db2.gz XWLYBKCLRUMUIG-JKSUJKDBSA-N 0 3 299.418 2.304 20 30 CEEDHN C=C1CCC(C(=O)N[C@H]2CCCN(CCOC)[C@@H]2C)CC1 ZINC000993744735 640672991 /nfs/dbraw/zinc/67/29/91/640672991.db2.gz RBPHITQALXHDGC-ZBFHGGJFSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CC[C@@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccccc1 ZINC000844313869 640673555 /nfs/dbraw/zinc/67/35/55/640673555.db2.gz WZVDGMHMDLVPHG-HZPDHXFCSA-N 0 3 284.359 2.324 20 30 CEEDHN C[C@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1ccc(C#N)cc1 ZINC000844313491 640673726 /nfs/dbraw/zinc/67/37/26/640673726.db2.gz SHPSGMCUWBWCPM-NHYWBVRUSA-N 0 3 285.347 2.192 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2occc2C)[C@H]1C ZINC000993767323 640675772 /nfs/dbraw/zinc/67/57/72/640675772.db2.gz XPMZQPWTDISBRD-HUUCEWRRSA-N 0 3 288.391 2.123 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2c(C)n[nH]c2C)[C@H]1C ZINC000994020688 640689775 /nfs/dbraw/zinc/68/97/75/640689775.db2.gz JJXVZAGAPGMJSR-KGLIPLIRSA-N 0 3 290.411 2.185 20 30 CEEDHN CN(CCc1cscn1)C[C@H](O)c1cccc(C#N)c1 ZINC000844367366 640694427 /nfs/dbraw/zinc/69/44/27/640694427.db2.gz AOLVTLCXQZWETO-HNNXBMFYSA-N 0 3 287.388 2.223 20 30 CEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCOC)cc1 ZINC000916914098 640830329 /nfs/dbraw/zinc/83/03/29/640830329.db2.gz VGRANJAZAHRMAX-AWEZNQCLSA-N 0 3 288.347 2.323 20 30 CEEDHN C[C@@H]1CCCCN1CCNc1ncc([N+](=O)[O-])cc1C#N ZINC000917068995 640846073 /nfs/dbraw/zinc/84/60/73/640846073.db2.gz LWEVRHZXPXCHDU-LLVKDONJSA-N 0 3 289.339 2.148 20 30 CEEDHN C#CCCCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000845011281 640887599 /nfs/dbraw/zinc/88/75/99/640887599.db2.gz DCGRQGCMKOVHGH-SFHVURJKSA-N 0 3 299.418 2.364 20 30 CEEDHN N#CC(C(=O)Cc1cccs1)C(=O)Nc1ccccn1 ZINC000126432862 650640502 /nfs/dbraw/zinc/64/05/02/650640502.db2.gz UEHZIGMCCURSPR-NSHDSACASA-N 0 3 285.328 2.033 20 30 CEEDHN C#CCN(C(=O)N[C@H]1CCCC1(C)C)C1CCN(C)CC1 ZINC000921351193 641254966 /nfs/dbraw/zinc/25/49/66/641254966.db2.gz DCHQAGFHHLUKFM-HNNXBMFYSA-N 0 3 291.439 2.304 20 30 CEEDHN CCN1C[C@H](CN[C@@H](C)c2cccc(C#N)c2)OC1=O ZINC000846844530 641451002 /nfs/dbraw/zinc/45/10/02/641451002.db2.gz NXWIOMFYWVBHQU-FZMZJTMJSA-N 0 3 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CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC2=C(CCC(=O)N2)C1 ZINC000852297585 643384759 /nfs/dbraw/zinc/38/47/59/643384759.db2.gz JGTZWEGPYINCQZ-GFCCVEGCSA-N 0 3 281.359 2.489 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CC=CCC2)CC1 ZINC001005101441 643386701 /nfs/dbraw/zinc/38/67/01/643386701.db2.gz VCRFUOKBWOFYGI-AWEZNQCLSA-N 0 3 262.397 2.452 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cc[nH]c2C)CC1 ZINC001005226833 643395548 /nfs/dbraw/zinc/39/55/48/643395548.db2.gz RQCRQBSDHDFZIB-UHFFFAOYSA-N 0 3 261.369 2.046 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)C[C@@H]2CCCCO2)CC1 ZINC001005231080 643396978 /nfs/dbraw/zinc/39/69/78/643396978.db2.gz DZBGORQKZPRNRE-HNNXBMFYSA-N 0 3 280.412 2.054 20 30 CEEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccn(C)c2)CC1 ZINC001005245681 643397534 /nfs/dbraw/zinc/39/75/34/643397534.db2.gz DEJKBJOWKHFMEG-UHFFFAOYSA-N 0 3 275.396 2.138 20 30 CEEDHN C=CCN(C[C@H](O)c1ccc(C#N)cc1)[C@@H](C)COC ZINC000852358341 643406637 /nfs/dbraw/zinc/40/66/37/643406637.db2.gz QMKGVZRTLHVFHU-BBRMVZONSA-N 0 3 274.364 2.115 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001005487787 643410196 /nfs/dbraw/zinc/41/01/96/643410196.db2.gz FKKFBCVIDUJRKD-HOTGVXAUSA-N 0 3 294.439 2.156 20 30 CEEDHN CCC(CC)CCCN(C)CC(=O)NCCC#N ZINC000852671457 643507561 /nfs/dbraw/zinc/50/75/61/643507561.db2.gz QCOJLKJMOAFOFE-UHFFFAOYSA-N 0 3 253.390 2.164 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923272064 643632260 /nfs/dbraw/zinc/63/22/60/643632260.db2.gz VRKKQHLEDCRRMU-VNHYZAJKSA-N 0 3 250.386 2.284 20 30 CEEDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)/C=C\c1ccccc1C#N ZINC000923306158 643652053 /nfs/dbraw/zinc/65/20/53/643652053.db2.gz HSJYHMVVBODELF-HYHHROLSSA-N 0 3 295.386 2.267 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cncc(Cl)c2)CC1 ZINC001006131389 643750651 /nfs/dbraw/zinc/75/06/51/643750651.db2.gz IGGOCCMPLOOUBP-UHFFFAOYSA-N 0 3 293.798 2.457 20 30 CEEDHN C#CC[C@@H](NC(=O)N(CC)[C@H]1CCN(C)C1)c1ccccc1 ZINC000853910503 643941448 /nfs/dbraw/zinc/94/14/48/643941448.db2.gz KRKQIBRMOACAOP-DLBZAZTESA-N 0 3 299.418 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/nfs/dbraw/zinc/80/29/33/645802933.db2.gz RGHRHQSDKWVFQR-VQXHTEKXSA-N 0 3 270.288 2.429 20 30 CEEDHN C=CC[C@H](C)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000878251223 651045450 /nfs/dbraw/zinc/04/54/50/651045450.db2.gz ILBWXLDLBLMBGU-ZDUSSCGKSA-N 0 3 292.427 2.449 20 30 CEEDHN CCCCCCCNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000861654990 646239882 /nfs/dbraw/zinc/23/98/82/646239882.db2.gz AJZVLNZXGJBUBE-STQMWFEESA-N 0 3 255.406 2.349 20 30 CEEDHN CCCCCCCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000861655440 646239939 /nfs/dbraw/zinc/23/99/39/646239939.db2.gz OBEDGRSKBLLULS-VXGBXAGGSA-N 0 3 259.369 2.038 20 30 CEEDHN CCCCCCCCC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000861711064 646253852 /nfs/dbraw/zinc/25/38/52/646253852.db2.gz SCXPDTPLTLPQIU-CVEARBPZSA-N 0 3 296.455 2.405 20 30 CEEDHN C#CCOc1ccc(CN2CCN(CC)[C@H](C)C2)cc1 ZINC000769382508 646256448 /nfs/dbraw/zinc/25/64/48/646256448.db2.gz XJIUXXGLJQZLMX-OAHLLOKOSA-N 0 3 272.392 2.225 20 30 CEEDHN C#CC[C@@H]1CCN(Cc2cc(C)c(C(=O)OC)o2)C1 ZINC000862448073 646466075 /nfs/dbraw/zinc/46/60/75/646466075.db2.gz WMJOBGVNPCQRQD-GFCCVEGCSA-N 0 3 261.321 2.220 20 30 CEEDHN Cn1[nH]ccc1=NN=C1CCCC[C@H]1N1CCCCC1 ZINC000774413052 646843438 /nfs/dbraw/zinc/84/34/38/646843438.db2.gz JJTBTRLSVUZXHJ-CQSZACIVSA-N 0 3 275.400 2.038 20 30 CEEDHN C=C(C)[C@H](CO)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000775268881 646935415 /nfs/dbraw/zinc/93/54/15/646935415.db2.gz LSDGMFIQLFCEGY-WFASDCNBSA-N 0 3 290.363 2.231 20 30 CEEDHN C#C[C@@H](NCc1cc(OCC)ccc1O)[C@@H]1CCCO1 ZINC000775343558 646943422 /nfs/dbraw/zinc/94/34/22/646943422.db2.gz WQYNYMSYXUTEHL-ZBFHGGJFSA-N 0 3 275.348 2.061 20 30 CEEDHN C#C[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])[C@H]1CCCO1 ZINC000775571677 646967489 /nfs/dbraw/zinc/96/74/89/646967489.db2.gz JEEUXKHFKZKXOG-RIEGTJTDSA-N 0 3 263.312 2.363 20 30 CEEDHN N#CC(C(=O)C[C@H]1CCCCO1)C(=O)Nc1ccccc1 ZINC000120002839 646978506 /nfs/dbraw/zinc/97/85/06/646978506.db2.gz JNNYCNZKRNRLCT-ZIAGYGMSSA-N 0 3 286.331 2.293 20 30 CEEDHN C#C[C@@H](NCCOC1CCCCCC1)[C@@H]1CCCO1 ZINC000775793039 646994074 /nfs/dbraw/zinc/99/40/74/646994074.db2.gz JASFSDOEIHTXPL-CVEARBPZSA-N 0 3 265.397 2.496 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000865194315 647202650 /nfs/dbraw/zinc/20/26/50/647202650.db2.gz UXHTXGMUFFODPQ-BBRMVZONSA-N 0 3 262.397 2.333 20 30 CEEDHN COC[C@@H](Cc1ccccc1)NCc1ccc(C#N)cn1 ZINC000783299985 647707173 /nfs/dbraw/zinc/70/71/73/647707173.db2.gz HIZDHSTUPMZKSB-QGZVFWFLSA-N 0 3 281.359 2.301 20 30 CEEDHN N#CCCNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000787300778 648096368 /nfs/dbraw/zinc/09/63/68/648096368.db2.gz WOEJPFUTVSPAKZ-UHFFFAOYSA-N 0 3 274.324 2.067 20 30 CEEDHN Cc1nnc(SCCN2CCCC2)c(C#N)c1C ZINC000789908073 648354797 /nfs/dbraw/zinc/35/47/97/648354797.db2.gz NIPVASRRTVEHRE-UHFFFAOYSA-N 0 3 262.382 2.153 20 30 CEEDHN Cc1cccc(Cl)c1CC(=O)C(C#N)C(=O)NC1CC1 ZINC000790767146 648445934 /nfs/dbraw/zinc/44/59/34/648445934.db2.gz IKGREEYJBUEVMD-GFCCVEGCSA-N 0 3 290.750 2.178 20 30 CEEDHN C#CCOc1ccc(C[NH2+]Cc2ncccc2[O-])cc1 ZINC000793255375 648732074 /nfs/dbraw/zinc/73/20/74/648732074.db2.gz HUGOYBLQNJHULJ-UHFFFAOYSA-N 0 3 268.316 2.089 20 30 CEEDHN COc1ccc([C@@H](C)C(C)=Nn2cnnc2)cc1OC ZINC000794448242 648868755 /nfs/dbraw/zinc/86/87/55/648868755.db2.gz MTHRCHBADVXERA-JTQLQIEISA-N 0 3 274.324 2.323 20 30 CEEDHN C(=NOC[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000794519352 648875666 /nfs/dbraw/zinc/87/56/66/648875666.db2.gz QIYGWSMMCLUCID-MRXNPFEDSA-N 0 3 290.363 2.053 20 30 CEEDHN CCN(CC)c1ccc(C=NNCCCOC)c(O)c1 ZINC000794542457 648881854 /nfs/dbraw/zinc/88/18/54/648881854.db2.gz JXHHJDSCNJDNKZ-UHFFFAOYSA-N 0 3 279.384 2.198 20 30 CEEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2CCCC[C@@H]2F)cc1 ZINC000872219045 649320133 /nfs/dbraw/zinc/32/01/33/649320133.db2.gz QKUIJPKIMJZOOE-CWRNSKLLSA-N 0 3 292.354 2.168 20 30 CEEDHN C[C@H]1C(N=Nc2cnnc3ccccc23)CCN1C ZINC000872352398 649362745 /nfs/dbraw/zinc/36/27/45/649362745.db2.gz PZNXCKCDJMGFRV-JTQLQIEISA-N 0 3 255.325 2.122 20 30 CEEDHN Cc1cc(NN=C2CCCc3ncccc32)ccn1 ZINC000872393336 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ZINC000880470211 651446549 /nfs/dbraw/zinc/44/65/49/651446549.db2.gz MRSMHDXYFSHKNU-HIFRSBDPSA-N 0 3 259.353 2.248 20 30 CEEDHN C#CCC1(O)CCN(Cc2cc(C)ccc2OC)CC1 ZINC000880478214 651447933 /nfs/dbraw/zinc/44/79/33/651447933.db2.gz XPHMLRJCJGWDDI-UHFFFAOYSA-N 0 3 273.376 2.354 20 30 CEEDHN C#CCC1(O)CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000880483394 651448158 /nfs/dbraw/zinc/44/81/58/651448158.db2.gz BFOGHQBJIQEGOT-AWEZNQCLSA-N 0 3 268.360 2.469 20 30 CEEDHN C#CCC1(O)CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000880483580 651448628 /nfs/dbraw/zinc/44/86/28/651448628.db2.gz FFSWDKDEXBTTDX-UHFFFAOYSA-N 0 3 268.360 2.217 20 30 CEEDHN C#CCCN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000880597517 651468569 /nfs/dbraw/zinc/46/85/69/651468569.db2.gz CMCOTAVUGFQVKM-OLZOCXBDSA-N 0 3 271.282 2.134 20 30 CEEDHN Cc1ccc(N[C@H]2C[C@H](C)N(C3CC3)C2)c(C#N)n1 ZINC000882073424 651952123 /nfs/dbraw/zinc/95/21/23/651952123.db2.gz QWMZGCSKKIAQIQ-RYUDHWBXSA-N 0 3 256.353 2.299 20 30 CEEDHN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)NC1CC1 ZINC000129433357 651953256 /nfs/dbraw/zinc/95/32/56/651953256.db2.gz RMTZRGIMZXYDSY-QJPTWQEYSA-N 0 3 288.372 2.148 20 30 CEEDHN CC[C@@](C)(CC(=O)OC)NCC#Cc1ccc(F)cc1 ZINC000130002998 652202194 /nfs/dbraw/zinc/20/21/94/652202194.db2.gz STKSXYIAJPRQSG-INIZCTEOSA-N 0 3 277.339 2.499 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cnc2c(F)cccc2c1 ZINC000883156503 652382128 /nfs/dbraw/zinc/38/21/28/652382128.db2.gz QEUCONPETFGQBU-AWEZNQCLSA-N 0 3 272.323 2.238 20 30 CEEDHN C=C/C=C\CCNC(=O)NC1CCN(CC=C)CC1 ZINC000883343163 652436937 /nfs/dbraw/zinc/43/69/37/652436937.db2.gz BPOOQCPAEJBWDA-WAYWQWQTSA-N 0 3 263.385 2.068 20 30 CEEDHN CCN1CC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000883355333 652439841 /nfs/dbraw/zinc/43/98/41/652439841.db2.gz ONWSISOWQQPNIM-WCQYABFASA-N 0 3 261.344 2.442 20 30 CEEDHN C#CC1(NCc2ccc3oc(=O)oc3c2)CCCC1 ZINC000883361767 652444042 /nfs/dbraw/zinc/44/40/42/652444042.db2.gz LKIDZTGSLJFJKA-UHFFFAOYSA-N 0 3 257.289 2.422 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1ccnn1CC1CCC1 ZINC000883399526 652456156 /nfs/dbraw/zinc/45/61/56/652456156.db2.gz PLTZSJALUPQDCI-AWEZNQCLSA-N 0 3 263.385 2.100 20 30 CEEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc(Cl)cc1)C2 ZINC000884044446 652654575 /nfs/dbraw/zinc/65/45/75/652654575.db2.gz IRHMEBYLIDUGGU-VTWZXRTESA-N 0 3 289.766 2.418 20 30 CEEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccccc1Cl)C2 ZINC000884044897 652655106 /nfs/dbraw/zinc/65/51/06/652655106.db2.gz ZOIGXTWVPKWTMM-LOIXOFCESA-N 0 3 289.766 2.418 20 30 CEEDHN Cc1cc(C)cc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)c1 ZINC000884046832 652657296 /nfs/dbraw/zinc/65/72/96/652657296.db2.gz UCWPSOXMAXUDSF-XOYHFGRZSA-N 0 3 283.375 2.381 20 30 CEEDHN CCN(Cc1ccccc1)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884047150 652658198 /nfs/dbraw/zinc/65/81/98/652658198.db2.gz GXTUIICCWPGZTJ-UPTPFMHGSA-N 0 3 297.402 2.174 20 30 CEEDHN Cc1cc(C)cc(N(C)C(=O)C2CC3(C2)CNC[C@H]3C#N)c1 ZINC000884099084 652707370 /nfs/dbraw/zinc/70/73/70/652707370.db2.gz DQZZDRPSTXHZLL-SWKXRBFHSA-N 0 3 297.402 2.406 20 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/nfs/dbraw/zinc/82/56/77/805825677.db2.gz PZHBBXHAMHRKQN-GOSISDBHSA-N 0 3 282.387 2.248 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)C[C@H](C=C)CC)C2)CC1 ZINC001280389260 805917591 /nfs/dbraw/zinc/91/75/91/805917591.db2.gz AOEIZPFQRVTWND-OAHLLOKOSA-N 0 3 274.408 2.146 20 30 CEEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCN(CC#CC)C[C@H]3C2)C1 ZINC001088098295 805931472 /nfs/dbraw/zinc/93/14/72/805931472.db2.gz CHDUMSGWPHHEHJ-CVEARBPZSA-N 0 3 286.419 2.146 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cccn3C(C)C)C[C@@H]2C1 ZINC001088202909 805969205 /nfs/dbraw/zinc/96/92/05/805969205.db2.gz AZTLBDGILFCTPD-CVEARBPZSA-N 0 3 299.418 2.096 20 30 CEEDHN C=CCOCCN1CCC(NC(=O)[C@H](C)C(C)(C)C)CC1 ZINC001228015734 806110256 /nfs/dbraw/zinc/11/02/56/806110256.db2.gz URWIJHMQHRRRMB-AWEZNQCLSA-N 0 3 296.455 2.452 20 30 CEEDHN C#CCCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2CC#CC ZINC001272017524 806280207 /nfs/dbraw/zinc/28/02/07/806280207.db2.gz YBVLBRSTTLFVND-IAGOWNOFSA-N 0 3 286.419 2.269 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)Cc1ccco1 ZINC001168169628 806351527 /nfs/dbraw/zinc/35/15/27/806351527.db2.gz XBSOBHFGDBJPNU-NSHDSACASA-N 0 3 284.787 2.307 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1c(F)cc(C)cc1F ZINC001272062199 806402907 /nfs/dbraw/zinc/40/29/07/806402907.db2.gz ZHYVCDLEDIBDDI-UHFFFAOYSA-N 0 3 282.334 2.463 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C2C=CC=CC=C2)[C@H]1C ZINC001088597064 806499401 /nfs/dbraw/zinc/49/94/01/806499401.db2.gz JFEIYNBYKAFHHD-ZBFHGGJFSA-N 0 3 272.392 2.440 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)[C@H]1CCCC[C@H]1C ZINC001272092955 806508114 /nfs/dbraw/zinc/50/81/14/806508114.db2.gz LHWRTFGMBCVWRW-CABCVRRESA-N 0 3 264.413 2.226 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC001272125398 806557926 /nfs/dbraw/zinc/55/79/26/806557926.db2.gz BTGRGBRDNXUINP-LSDHHAIUSA-N 0 3 282.428 2.158 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3cccn3cn2)[C@H]1C ZINC001088654876 806581669 /nfs/dbraw/zinc/58/16/69/806581669.db2.gz CYBPDFKCBOOZAL-HIFRSBDPSA-N 0 3 298.390 2.103 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cocc3C)[C@@H]2C1 ZINC001076140860 806815550 /nfs/dbraw/zinc/81/55/50/806815550.db2.gz KIDNCMIJMZNIAG-DZGCQCFKSA-N 0 3 274.364 2.310 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](C)C(F)(F)F)[C@@H]2C1 ZINC001076143937 806815728 /nfs/dbraw/zinc/81/57/28/806815728.db2.gz RNGFAANTMMAIHK-GRYCIOLGSA-N 0 3 290.329 2.294 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cc[nH]c3C3CC3)[C@@H]2C1 ZINC001076183852 806822107 /nfs/dbraw/zinc/82/21/07/806822107.db2.gz XCDPHLJGPVIHIC-DZGCQCFKSA-N 0 3 285.391 2.224 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccco3)[C@@H]2C1 ZINC001076234739 806827886 /nfs/dbraw/zinc/82/78/86/806827886.db2.gz OPOIAQVVHWQCJR-MELADBBJSA-N 0 3 274.364 2.102 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)CC[C@H]3CCCCO3)[C@@H]2C1 ZINC001076311321 806837276 /nfs/dbraw/zinc/83/72/76/806837276.db2.gz VHRQJOHLPCNHFI-ARFHVFGLSA-N 0 3 292.423 2.054 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3nc(C)oc3C)[C@@H]2C1 ZINC001076395114 806845933 /nfs/dbraw/zinc/84/59/33/806845933.db2.gz HDJQOQUBSKWUBR-UONOGXRCSA-N 0 3 289.379 2.014 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(OC)o3)[C@@H]2C1 ZINC001076393533 806846044 /nfs/dbraw/zinc/84/60/44/806846044.db2.gz JZYTWOGCIWWRCW-QWHCGFSZSA-N 0 3 290.363 2.011 20 30 CEEDHN C=CCN(C)CCNC(=O)Cc1c(C)cc(C)cc1C ZINC001266320599 802436611 /nfs/dbraw/zinc/43/66/11/802436611.db2.gz NBBYPLAAYIVFSG-UHFFFAOYSA-N 0 3 274.408 2.388 20 30 CEEDHN C=CCN(CCN1CCCC[C@H]1COC)C(=O)OCC ZINC001209017736 802449731 /nfs/dbraw/zinc/44/97/31/802449731.db2.gz WUVRWJSCOAAZBM-AWEZNQCLSA-N 0 3 284.400 2.132 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](CC)CCC)C1 ZINC001266350425 802476139 /nfs/dbraw/zinc/47/61/39/802476139.db2.gz UDNWELNNUNIUFR-UONOGXRCSA-N 0 3 250.386 2.027 20 30 CEEDHN C=CCCC(=O)NC[C@@H](NCc1cncc(F)c1)C1CC1 ZINC001266401562 802532599 /nfs/dbraw/zinc/53/25/99/802532599.db2.gz OMPCKDBJDSUPQD-OAHLLOKOSA-N 0 3 291.370 2.171 20 30 CEEDHN C=CCCC(=O)NC[C@H](NCc1cncc(F)c1)C1CC1 ZINC001266401561 802532838 /nfs/dbraw/zinc/53/28/38/802532838.db2.gz OMPCKDBJDSUPQD-HNNXBMFYSA-N 0 3 291.370 2.171 20 30 CEEDHN C=CCN(CC)CCNC(=O)c1ccc2[nH]ccc2c1 ZINC001266413653 802543920 /nfs/dbraw/zinc/54/39/20/802543920.db2.gz QTVHAJAPVQUBGK-UHFFFAOYSA-N 0 3 271.364 2.406 20 30 CEEDHN N#Cc1csc(CNCC[C@@H]2CCSC2)n1 ZINC000704789018 809751796 /nfs/dbraw/zinc/75/17/96/809751796.db2.gz ABZSFYKKVRVTJL-SECBINFHSA-N 0 3 253.396 2.248 20 30 CEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)C3(CC(C)C)CCC3)[C@@H]2C1 ZINC001282872140 802637018 /nfs/dbraw/zinc/63/70/18/802637018.db2.gz PXNGPJFHLBFIDD-PHZGNYQRSA-N 0 3 288.435 2.130 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)CC[C@H](C)c2ccccc2)C1 ZINC001266553368 802710405 /nfs/dbraw/zinc/71/04/05/802710405.db2.gz JNRWQKGDBAKYSU-RDJZCZTQSA-N 0 3 284.403 2.394 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)c1ccccc1F ZINC001266554329 802712204 /nfs/dbraw/zinc/71/22/04/802712204.db2.gz XWEDOUOQLKOLOP-UHFFFAOYSA-N 0 3 276.355 2.291 20 30 CEEDHN C#CCN(CCC)CCNC(=O)c1ccoc1C(C)C ZINC001266579323 802734360 /nfs/dbraw/zinc/73/43/60/802734360.db2.gz NQABDQPIMARDTM-UHFFFAOYSA-N 0 3 276.380 2.478 20 30 CEEDHN C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001079437243 810211837 /nfs/dbraw/zinc/21/18/37/810211837.db2.gz RDYNBFQMMMLFCG-TZMCWYRMSA-N 0 3 274.364 2.018 20 30 CEEDHN C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001079437243 810211839 /nfs/dbraw/zinc/21/18/39/810211839.db2.gz RDYNBFQMMMLFCG-TZMCWYRMSA-N 0 3 274.364 2.018 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)Cc1cc[nH]c(=O)c1 ZINC001207122042 802795857 /nfs/dbraw/zinc/79/58/57/802795857.db2.gz ACXURYAVXWWHHE-UHFFFAOYSA-N 0 3 253.305 2.291 20 30 CEEDHN C=C(C)CN1CCC(N2C(=O)N[C@H](CCCC)C2=O)CC1 ZINC000348886118 807006199 /nfs/dbraw/zinc/00/61/99/807006199.db2.gz RWGWVFKKFJKCPW-CQSZACIVSA-N 0 3 293.411 2.138 20 30 CEEDHN C=CCN1CCCC[C@H]1CNC(=O)CCC(=C)C ZINC001266842403 802935927 /nfs/dbraw/zinc/93/59/27/802935927.db2.gz NOWPNARLTPSEGE-AWEZNQCLSA-N 0 3 250.386 2.499 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CCCC#CC)C1 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C#CCN1CC[C@@H]2CCN(C(=O)CC3=CCCCC3)C[C@@H]21 ZINC001041979347 803164413 /nfs/dbraw/zinc/16/44/13/803164413.db2.gz VNAREMDJTMQWBE-SJORKVTESA-N 0 3 286.419 2.433 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)C(C)(C)C1CCOCC1 ZINC001267205815 803230277 /nfs/dbraw/zinc/23/02/77/803230277.db2.gz AWFHXUILYVPGPJ-UHFFFAOYSA-N 0 3 282.428 2.063 20 30 CEEDHN C=CCN(C)CCNC(=O)Cc1cc2ccccc2o1 ZINC001267209271 803234010 /nfs/dbraw/zinc/23/40/10/803234010.db2.gz RBWHKNCZAZSUBI-UHFFFAOYSA-N 0 3 272.348 2.209 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CCC ZINC001115035387 813774427 /nfs/dbraw/zinc/77/44/27/813774427.db2.gz BGDNXGWNADDHAN-MQYQWHSLSA-N 0 3 250.386 2.045 20 30 CEEDHN C=CCN(C)CCNC(=O)[C@@H]1CCCC[C@H]1CC ZINC001267225061 803252019 /nfs/dbraw/zinc/25/20/19/803252019.db2.gz OMSBPRKQIFLZLP-ZIAGYGMSSA-N 0 3 252.402 2.437 20 30 CEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cnco2)C[C@H]1C ZINC001104465060 803289768 /nfs/dbraw/zinc/28/97/68/803289768.db2.gz DLLZOTFCWKTIOR-ZYHUDNBSSA-N 0 3 297.786 2.115 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CCC(=C)C)C[C@H]1OC ZINC001213390006 803318474 /nfs/dbraw/zinc/31/84/74/803318474.db2.gz NYZUXVIVAIXIPV-BFYDXBDKSA-N 0 3 294.439 2.370 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cccs3)C[C@]2(C)C1 ZINC001091452468 814246320 /nfs/dbraw/zinc/24/63/20/814246320.db2.gz PBFJRBDFFURFAJ-CJNGLKHVSA-N 0 3 288.416 2.165 20 30 CEEDHN C[C@H](O)C[C@H]1CCCCCN1Cc1cncc(C#N)c1 ZINC000721556241 803333008 /nfs/dbraw/zinc/33/30/08/803333008.db2.gz JXXRZEPENYVNTE-XJKSGUPXSA-N 0 3 273.380 2.469 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001267310556 803355090 /nfs/dbraw/zinc/35/50/90/803355090.db2.gz XXGQHOHCZHLABB-ZIAGYGMSSA-N 0 3 288.366 2.001 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)c1ccncc1Cl ZINC001267317905 803362131 /nfs/dbraw/zinc/36/21/31/803362131.db2.gz NZKZNPJPMOQVOL-UHFFFAOYSA-N 0 3 293.798 2.200 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)c1ocnc1C1CC1 ZINC001267318282 803362641 /nfs/dbraw/zinc/36/26/41/803362641.db2.gz VZXCZPYXWINKPR-UHFFFAOYSA-N 0 3 289.379 2.017 20 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/nfs/dbraw/zinc/64/31/24/808643124.db2.gz HDPJWZHBWQZMAU-IRXDYDNUSA-N 0 3 299.418 2.266 20 30 CEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H]2CC2(C)C)CC1 ZINC000997547596 808655624 /nfs/dbraw/zinc/65/56/24/808655624.db2.gz PTBJIPCJHLCUNG-DZGCQCFKSA-N 0 3 276.424 2.273 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCn1cccc1 ZINC001032700280 808787786 /nfs/dbraw/zinc/78/77/86/808787786.db2.gz VZNXWIQMAMBSTA-HOTGVXAUSA-N 0 3 287.407 2.130 20 30 CEEDHN C=CCC(CC=C)C(=O)NCCNC/C=C\Cl ZINC001128087747 808810932 /nfs/dbraw/zinc/81/09/32/808810932.db2.gz AMMTXORLIZAUDK-YVMONPNESA-N 0 3 256.777 2.213 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)C1CC1 ZINC001032807066 808903165 /nfs/dbraw/zinc/90/31/65/808903165.db2.gz ZZNGHQIDKYPMTH-SNPRPXQTSA-N 0 3 262.397 2.284 20 30 CEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(C2CC2)on1 ZINC001272936165 808955976 /nfs/dbraw/zinc/95/59/76/808955976.db2.gz LFFXSLJALZDKDS-JTQLQIEISA-N 0 3 297.786 2.403 20 30 CEEDHN C=C(C)CCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001128405198 809044375 /nfs/dbraw/zinc/04/43/75/809044375.db2.gz SXHHCMMQHVUPDS-UHFFFAOYSA-N 0 3 291.351 2.157 20 30 CEEDHN C=CCN1CC[C@]2(CCN(Cc3nc(C)cs3)C2)C1=O ZINC001272991162 809060791 /nfs/dbraw/zinc/06/07/91/809060791.db2.gz PFVHFTHBQRIYKY-HNNXBMFYSA-N 0 3 291.420 2.062 20 30 CEEDHN C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)NCCC#N ZINC000426002174 809067650 /nfs/dbraw/zinc/06/76/50/809067650.db2.gz DRFAILFZGOZAPO-ZDUSSCGKSA-N 0 3 299.374 2.345 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc(C)c2)C1 ZINC001032881161 809106978 /nfs/dbraw/zinc/10/69/78/809106978.db2.gz UUTFSXASGTUSKF-MRXNPFEDSA-N 0 3 270.376 2.165 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccccc2O)C1 ZINC001032920503 809117602 /nfs/dbraw/zinc/11/76/02/809117602.db2.gz NUGOEFJLQMBKOE-CYBMUJFWSA-N 0 3 274.364 2.115 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)C(C)=C2CCCC2)C1 ZINC001032990578 809136831 /nfs/dbraw/zinc/13/68/31/809136831.db2.gz VLTMWIZPRWRPSD-INIZCTEOSA-N 0 3 274.408 2.433 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccnn2C(F)F)C1 ZINC001033115210 809186863 /nfs/dbraw/zinc/18/68/63/809186863.db2.gz PZPXBVQBGQTRNV-NSHDSACASA-N 0 3 298.337 2.001 20 30 CEEDHN C#CCNC1(CNC(=O)C[C@@H]2CCC(F)(F)C2)CCC1 ZINC001273090353 809206073 /nfs/dbraw/zinc/20/60/73/809206073.db2.gz DQRKBJDAKPVGNM-LBPRGKRZSA-N 0 3 284.350 2.074 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccccc2)C1 ZINC001033200023 809233416 /nfs/dbraw/zinc/23/34/16/809233416.db2.gz FJCTWTFIDADDGW-INIZCTEOSA-N 0 3 272.392 2.338 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001033278779 809256646 /nfs/dbraw/zinc/25/66/46/809256646.db2.gz RHEAQNNFNHYSLI-ZNMIVQPWSA-N 0 3 262.397 2.141 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2CC3(CCC3)C2)C1 ZINC001033341089 809277521 /nfs/dbraw/zinc/27/75/21/809277521.db2.gz LKPRLNBORBICGD-OAHLLOKOSA-N 0 3 274.408 2.123 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(C)CC=CC2)C1 ZINC001033387734 809289883 /nfs/dbraw/zinc/28/98/83/809289883.db2.gz OWWXNRWZAACXSZ-CQSZACIVSA-N 0 3 262.397 2.452 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2ccsc2C)C1 ZINC001033479033 809315225 /nfs/dbraw/zinc/31/52/25/809315225.db2.gz HLKKAJWUZLSKDO-CQSZACIVSA-N 0 3 278.421 2.318 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2csc(C)c2)C1 ZINC001033500375 809318537 /nfs/dbraw/zinc/31/85/37/809318537.db2.gz JGHVRPYACDQOBS-CQSZACIVSA-N 0 3 276.405 2.226 20 30 CEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2oc(CC)nc2C)C1 ZINC001033562210 809339429 /nfs/dbraw/zinc/33/94/29/809339429.db2.gz NQCOBZOCGFIWMG-CYBMUJFWSA-N 0 3 291.395 2.268 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001033576037 809344589 /nfs/dbraw/zinc/34/45/89/809344589.db2.gz TWUXINQSTSZZQV-GOEBONIOSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001033651275 809372934 /nfs/dbraw/zinc/37/29/34/809372934.db2.gz PGZFRKQAGPKZLW-GOSISDBHSA-N 0 3 296.414 2.345 20 30 CEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001033649969 809373831 /nfs/dbraw/zinc/37/38/31/809373831.db2.gz JXINJKQOCSWSGH-SFHVURJKSA-N 0 3 298.430 2.437 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001033692442 809381677 /nfs/dbraw/zinc/38/16/77/809381677.db2.gz WKBDGNLNFDOLHG-BACDZXNISA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2ocnc2C)C1 ZINC001033784357 809415260 /nfs/dbraw/zinc/41/52/60/809415260.db2.gz GUBJBXVQCJPKMJ-CYBMUJFWSA-N 0 3 277.368 2.096 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccn(C)c2)C1 ZINC001033790119 809416719 /nfs/dbraw/zinc/41/67/19/809416719.db2.gz YHVWIGAIDKEKGT-OAHLLOKOSA-N 0 3 275.396 2.138 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C2C=CC=CC=C2)C1 ZINC001033841940 809431352 /nfs/dbraw/zinc/43/13/52/809431352.db2.gz DLVGOPWUHZRKPV-QGZVFWFLSA-N 0 3 284.403 2.231 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(CC)o2)C1 ZINC001033875235 809438788 /nfs/dbraw/zinc/43/87/88/809438788.db2.gz COMXEMHUUVSJFR-CQSZACIVSA-N 0 3 288.391 2.402 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001033904490 809449139 /nfs/dbraw/zinc/44/91/39/809449139.db2.gz UJMZZKNLOKJLMB-XHSDSOJGSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccccn2)C1 ZINC001034081568 809503894 /nfs/dbraw/zinc/50/38/94/809503894.db2.gz SQJJVTFWZAWFBC-CQSZACIVSA-N 0 3 273.380 2.242 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001034268514 809567740 /nfs/dbraw/zinc/56/77/40/809567740.db2.gz NYXJQMNDCIAJJE-OAHLLOKOSA-N 0 3 298.390 2.285 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2cccn3nccc23)C1 ZINC001034289079 809572765 /nfs/dbraw/zinc/57/27/65/809572765.db2.gz RLPSAXCLOUMOTN-AWEZNQCLSA-N 0 3 298.390 2.105 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ncccc2F)C1 ZINC001034459585 809612778 /nfs/dbraw/zinc/61/27/78/809612778.db2.gz WILASXJIXSXSRV-CYBMUJFWSA-N 0 3 291.370 2.381 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2csc(C)n2)C1 ZINC001034522252 809626917 /nfs/dbraw/zinc/62/69/17/809626917.db2.gz ULAIQJLZORXNNO-CYBMUJFWSA-N 0 3 293.436 2.151 20 30 CEEDHN CCC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)c(F)c1 ZINC001034836318 809703961 /nfs/dbraw/zinc/70/39/61/809703961.db2.gz IJVMDWBLMNOSIQ-CQSZACIVSA-N 0 3 289.354 2.188 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CC1CC1)CC2 ZINC001035634933 809795615 /nfs/dbraw/zinc/79/56/15/809795615.db2.gz GRHFHZBUCICHLI-UHFFFAOYSA-N 0 3 262.397 2.287 20 30 CEEDHN C=CCN1CC2(C1)CCN(C(=O)c1ccccc1O)CC2 ZINC001035658156 809798532 /nfs/dbraw/zinc/79/85/32/809798532.db2.gz LJDQSOVYNUDTRA-UHFFFAOYSA-N 0 3 286.375 2.116 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1coc(C)c1)CC2 ZINC001035694660 809804582 /nfs/dbraw/zinc/80/45/82/809804582.db2.gz XDWQUJAFKQGITP-UHFFFAOYSA-N 0 3 286.375 2.149 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)C1(C)CC(=C)C1)CC2 ZINC001035788917 809815898 /nfs/dbraw/zinc/81/58/98/809815898.db2.gz NBYYMFASKUGEEW-UHFFFAOYSA-N 0 3 286.419 2.290 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1oncc1C)CC2 ZINC001035826292 809819554 /nfs/dbraw/zinc/81/95/54/809819554.db2.gz MYBUXFKAMTUDBQ-UHFFFAOYSA-N 0 3 289.379 2.097 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CC13CCC3)CC2 ZINC001035806400 809820719 /nfs/dbraw/zinc/82/07/19/809820719.db2.gz UYTMPCAEKBTPEW-HNNXBMFYSA-N 0 3 286.419 2.124 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1nocc1C)CC2 ZINC001035831611 809821593 /nfs/dbraw/zinc/82/15/93/809821593.db2.gz MPZFXQKXNYLJRY-UHFFFAOYSA-N 0 3 289.379 2.097 20 30 CEEDHN C=CC[NH2+][C@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001035929016 809838465 /nfs/dbraw/zinc/83/84/65/809838465.db2.gz MRRCNIHRPXOXRA-JSGCOSHPSA-N 0 3 274.364 2.018 20 30 CEEDHN CC(=O)N1CC[C@@H]2[C@@H](CCN2Cc2ccc(C#N)s2)C1 ZINC001036611057 809966654 /nfs/dbraw/zinc/96/66/54/809966654.db2.gz YBWQNQXPSDLUHZ-SWLSCSKDSA-N 0 3 289.404 2.062 20 30 CEEDHN CC(C)C[C@H](N[C@H]1CSc2ccccc2C1)C(=O)NO ZINC001172193839 815347018 /nfs/dbraw/zinc/34/70/18/815347018.db2.gz PGZCSRAVPHJZHA-OLZOCXBDSA-N 0 3 294.420 2.213 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CCCC2)C1 ZINC001079341193 810203173 /nfs/dbraw/zinc/20/31/73/810203173.db2.gz OSNVCSGQINGLML-TZMCWYRMSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001079477679 810213508 /nfs/dbraw/zinc/21/35/08/810213508.db2.gz OFSWMJUHZRFXHO-ZYHUDNBSSA-N 0 3 279.409 2.078 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001079536434 810216790 /nfs/dbraw/zinc/21/67/90/810216790.db2.gz KRSDSBDNLBZXLU-CHWSQXEVSA-N 0 3 276.424 2.128 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(OCC=C)cc2)C1 ZINC001014980761 810249805 /nfs/dbraw/zinc/24/98/05/810249805.db2.gz OYAMNYCEBHVPSV-MRXNPFEDSA-N 0 3 298.386 2.079 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001080160998 810252399 /nfs/dbraw/zinc/25/23/99/810252399.db2.gz IHTCATCTELMEGY-SYAUCNOPSA-N 0 3 276.424 2.435 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001080165560 810252656 /nfs/dbraw/zinc/25/26/56/810252656.db2.gz ATPIVMDQQPRUKT-IXYNUQLISA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2ncccc2CC)C1 ZINC001015024851 810253747 /nfs/dbraw/zinc/25/37/47/810253747.db2.gz DMGYYBBUHCWQMA-AWEZNQCLSA-N 0 3 273.380 2.024 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001080277242 810266641 /nfs/dbraw/zinc/26/66/41/810266641.db2.gz KRWTVQMDHJECHK-HZSPNIEDSA-N 0 3 264.413 2.435 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001015240469 810269540 /nfs/dbraw/zinc/26/95/40/810269540.db2.gz ZZJJZCBSNYCBPU-MGPQQGTHSA-N 0 3 264.413 2.435 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC001080351503 810272481 /nfs/dbraw/zinc/27/24/81/810272481.db2.gz CQVQUXTXYCWASO-IAQYHMDHSA-N 0 3 294.345 2.130 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001080381069 810274191 /nfs/dbraw/zinc/27/41/91/810274191.db2.gz VYHDXXQCNRVPIO-HUUCEWRRSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001080817650 810309905 /nfs/dbraw/zinc/30/99/05/810309905.db2.gz INQHNWRPPBLZIH-CZUORRHYSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001080830658 810312587 /nfs/dbraw/zinc/31/25/87/810312587.db2.gz GNVUUITUTQTETB-IUODEOHRSA-N 0 3 290.794 2.413 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001015615847 810314870 /nfs/dbraw/zinc/31/48/70/810314870.db2.gz JBFZTAPUPVPRFE-GOEBONIOSA-N 0 3 288.366 2.232 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC001015621144 810315776 /nfs/dbraw/zinc/31/57/76/810315776.db2.gz RQTNIYWSQULEDS-NSHDSACASA-N 0 3 280.318 2.345 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001015630452 810320746 /nfs/dbraw/zinc/32/07/46/810320746.db2.gz BPXJDEIBQBAXLS-JTQLQIEISA-N 0 3 298.308 2.484 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccccc2)[C@H](OC)C1 ZINC001081296260 810336331 /nfs/dbraw/zinc/33/63/31/810336331.db2.gz IATRFZAZMVLLLH-HZPDHXFCSA-N 0 3 288.391 2.082 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2CCCCC2)[C@H](OC)C1 ZINC001081296333 810337104 /nfs/dbraw/zinc/33/71/04/810337104.db2.gz LJGUVWUYOWQBED-HZPDHXFCSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2CC(C)(C)C2)[C@H](OC)C1 ZINC001081622483 810342228 /nfs/dbraw/zinc/34/22/28/810342228.db2.gz QPZKYZAPWHGZEK-HUUCEWRRSA-N 0 3 294.439 2.204 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@]2(C)C=CCC2)[C@H](OC)C1 ZINC001082035123 810363075 /nfs/dbraw/zinc/36/30/75/810363075.db2.gz VJRMYVRPXOQHPI-BFYDXBDKSA-N 0 3 292.423 2.124 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082111172 810366355 /nfs/dbraw/zinc/36/63/55/810366355.db2.gz UVFOHRIHXQQFCK-RBSFLKMASA-N 0 3 294.439 2.204 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001015890214 810368877 /nfs/dbraw/zinc/36/88/77/810368877.db2.gz KCXPODPRROMFIU-GFCCVEGCSA-N 0 3 292.354 2.215 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001015949060 810378213 /nfs/dbraw/zinc/37/82/13/810378213.db2.gz IBKNIIXWWDRIOQ-KRWDZBQOSA-N 0 3 293.370 2.062 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001016006856 810384763 /nfs/dbraw/zinc/38/47/63/810384763.db2.gz JUTNWBVBLVHCLO-HOCLYGCPSA-N 0 3 270.376 2.004 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001016147646 810403250 /nfs/dbraw/zinc/40/32/50/810403250.db2.gz SNPYXBJTWPAWOV-OAHLLOKOSA-N 0 3 290.794 2.096 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cccc(OC)c2)C1 ZINC001016169185 810408264 /nfs/dbraw/zinc/40/82/64/810408264.db2.gz SBSDMLUHNYRDPD-HNNXBMFYSA-N 0 3 288.391 2.004 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001016214996 810412362 /nfs/dbraw/zinc/41/23/62/810412362.db2.gz XZAZTPQSYCEJIM-CQSZACIVSA-N 0 3 275.396 2.022 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccco3)[C@@H]2C1 ZINC001084157107 810438928 /nfs/dbraw/zinc/43/89/28/810438928.db2.gz GMBCAGFXZMBVIP-CHWSQXEVSA-N 0 3 260.337 2.002 20 30 CEEDHN COC(CN(C)[C@H](C)Cc1ccc(C#N)cc1)OC ZINC001172320078 815369943 /nfs/dbraw/zinc/36/99/43/815369943.db2.gz SVEQPPPLGJWXEL-GFCCVEGCSA-N 0 3 262.353 2.040 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H]2CC=CCC2)CC1 ZINC001016500155 810444896 /nfs/dbraw/zinc/44/48/96/810444896.db2.gz MRHCWCZWLCMBLR-JKSUJKDBSA-N 0 3 286.419 2.337 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C=C2CCC2)CC1 ZINC001016563181 810453140 /nfs/dbraw/zinc/45/31/40/810453140.db2.gz DGSZHHDUFYORAF-OAHLLOKOSA-N 0 3 272.392 2.091 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](C)C2CCC2)CC1 ZINC001016686575 810461352 /nfs/dbraw/zinc/46/13/52/810461352.db2.gz ATAWBCAOUZGARC-UKRRQHHQSA-N 0 3 274.408 2.027 20 30 CEEDHN C=C1CCC(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC001119524294 810501913 /nfs/dbraw/zinc/50/19/13/810501913.db2.gz JNTMOICEXGJLLG-SWLSCSKDSA-N 0 3 262.397 2.332 20 30 CEEDHN CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017541771 810530949 /nfs/dbraw/zinc/53/09/49/810530949.db2.gz GLEGDKVDHCKQIW-BMFZPTHFSA-N 0 3 274.408 2.121 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCC3(F)F)C[C@@H]21 ZINC001084967858 810553242 /nfs/dbraw/zinc/55/32/42/810553242.db2.gz ANWMWTROAZHNED-UPJWGTAASA-N 0 3 284.350 2.141 20 30 CEEDHN C#C[C@@](C)(CC)NCC(=O)NC1CCCCCC1 ZINC000384139348 810553380 /nfs/dbraw/zinc/55/33/80/810553380.db2.gz FKCBVPHQOZSVTP-HNNXBMFYSA-N 0 3 250.386 2.217 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)[C@@H](F)C(C)C)C[C@@H]21 ZINC001085008688 810563096 /nfs/dbraw/zinc/56/30/96/810563096.db2.gz LOYMXYBVCAQUHM-ILXRZTDVSA-N 0 3 282.403 2.479 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)OCC ZINC001231025125 810576248 /nfs/dbraw/zinc/57/62/48/810576248.db2.gz HWTLJIGATWBOQW-HUUCEWRRSA-N 0 3 282.428 2.300 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CC2 ZINC001017996700 810579532 /nfs/dbraw/zinc/57/95/32/810579532.db2.gz ORVYPSQHUGAEFJ-ZNMIVQPWSA-N 0 3 274.408 2.428 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CCC=C ZINC001231062329 810582074 /nfs/dbraw/zinc/58/20/74/810582074.db2.gz OJIIORYMRBDFRU-HUUCEWRRSA-N 0 3 280.412 2.076 20 30 CEEDHN N#CC(C(=O)C[C@@H]1CCc2ccccc21)C(=O)NC1CC1 ZINC000115904537 810666767 /nfs/dbraw/zinc/66/67/67/810666767.db2.gz QQDGHXBCHJISOK-SWLSCSKDSA-N 0 3 282.343 2.094 20 30 CEEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cc[nH]n1 ZINC001122182517 815390694 /nfs/dbraw/zinc/39/06/94/815390694.db2.gz QNRUPOUXKLNOEY-LLVKDONJSA-N 0 3 252.362 2.426 20 30 CEEDHN CC(C)(C#N)CCCN1CCN(c2ccc(C#N)nc2)CC1 ZINC000279196417 810714195 /nfs/dbraw/zinc/71/41/95/810714195.db2.gz KKCIBVRUYPLXFS-UHFFFAOYSA-N 0 3 297.406 2.405 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1conc1C ZINC001085318192 810722080 /nfs/dbraw/zinc/72/20/80/810722080.db2.gz JSOGRDNBEGRIKU-CHWSQXEVSA-N 0 3 297.786 2.366 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cccc(C(C)C)c2)C1 ZINC001019604387 810722394 /nfs/dbraw/zinc/72/23/94/810722394.db2.gz XUXQHAWAYGACCH-INIZCTEOSA-N 0 3 270.376 2.247 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C(C)(C)c2ccc(CC)cc2)C1 ZINC001019625493 810725906 /nfs/dbraw/zinc/72/59/06/810725906.db2.gz QYDDMJDKCIRBGH-KRWDZBQOSA-N 0 3 298.430 2.350 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@@H]2CCCCc3ccccc32)C1 ZINC001019838819 810744964 /nfs/dbraw/zinc/74/49/64/810744964.db2.gz UPJSSOCFKSSWRS-FUHWJXTLSA-N 0 3 296.414 2.320 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001019967405 810753063 /nfs/dbraw/zinc/75/30/63/810753063.db2.gz JPRLSLVTQRELAN-XYPYZODXSA-N 0 3 268.744 2.191 20 30 CEEDHN C=C(C)c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001240834180 810773638 /nfs/dbraw/zinc/77/36/38/810773638.db2.gz KOWSOXHQEOMXNV-JTQLQIEISA-N 0 3 259.309 2.459 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)nc1 ZINC001085491366 810790087 /nfs/dbraw/zinc/79/00/87/810790087.db2.gz XKCNSWZXRKMATH-OAHLLOKOSA-N 0 3 273.380 2.112 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(CC)ccn1 ZINC001038290241 810818626 /nfs/dbraw/zinc/81/86/26/810818626.db2.gz UZMNPDVQCQEYMQ-HNNXBMFYSA-N 0 3 287.407 2.414 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCCC12CCCCC2 ZINC001122284818 815399958 /nfs/dbraw/zinc/39/99/58/815399958.db2.gz NGOIZTAKRGRSJW-CYBMUJFWSA-N 0 3 263.385 2.333 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001038418288 810836447 /nfs/dbraw/zinc/83/64/47/810836447.db2.gz QRVREUQTMZXPFQ-BBBYJDLNSA-N 0 3 262.397 2.333 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001038431742 810838295 /nfs/dbraw/zinc/83/82/95/810838295.db2.gz LJVNJJXNVNULQC-HNNXBMFYSA-N 0 3 287.407 2.469 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1[nH]ccc1C ZINC001085574600 810841613 /nfs/dbraw/zinc/84/16/13/810841613.db2.gz BOOKRHITNJXQFO-CYBMUJFWSA-N 0 3 261.369 2.046 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnc2ccccn12 ZINC001038439730 810842383 /nfs/dbraw/zinc/84/23/83/810842383.db2.gz SILMDXIXLAINQQ-CQSZACIVSA-N 0 3 298.390 2.105 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1c(F)cccc1OC ZINC001122356946 815403943 /nfs/dbraw/zinc/40/39/43/815403943.db2.gz YLFZMZQIANUXOO-CYBMUJFWSA-N 0 3 280.343 2.134 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001038646970 810877125 /nfs/dbraw/zinc/87/71/25/810877125.db2.gz QJEHANTWPPNSKU-ZDUSSCGKSA-N 0 3 273.380 2.272 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ncccc1CC ZINC001085684514 810878154 /nfs/dbraw/zinc/87/81/54/810878154.db2.gz VIDOZMUNZINIMA-OAHLLOKOSA-N 0 3 287.407 2.366 20 30 CEEDHN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccn2cncc2c1 ZINC001085699477 810880417 /nfs/dbraw/zinc/88/04/17/810880417.db2.gz OREIRSPNNICDFW-HNNXBMFYSA-N 0 3 298.390 2.057 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccnc1C ZINC001085791101 810913701 /nfs/dbraw/zinc/91/37/01/810913701.db2.gz ZSIAGQVAJJEUNW-CQSZACIVSA-N 0 3 273.380 2.112 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccn(C)c1CC ZINC001085819304 810928877 /nfs/dbraw/zinc/92/88/77/810928877.db2.gz VDUJBJXRWBKMLF-AWEZNQCLSA-N 0 3 289.423 2.310 20 30 CEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1C(C)C ZINC001085865104 810947889 /nfs/dbraw/zinc/94/78/89/810947889.db2.gz UBNLFEOISHJXOY-JYJNAYRXSA-N 0 3 294.439 2.299 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccn1C(C)C ZINC001039037513 810972303 /nfs/dbraw/zinc/97/23/03/810972303.db2.gz MZZDIECQJGXWDJ-AWEZNQCLSA-N 0 3 275.396 2.449 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1OC ZINC001085940433 810977206 /nfs/dbraw/zinc/97/72/06/810977206.db2.gz HDWUDVTYHUAZJE-CQSZACIVSA-N 0 3 288.391 2.418 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)nc1C ZINC001085984627 810992761 /nfs/dbraw/zinc/99/27/61/810992761.db2.gz JOCIZIODWUYYTC-HNNXBMFYSA-N 0 3 287.407 2.421 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC ZINC001039317458 811007230 /nfs/dbraw/zinc/00/72/30/811007230.db2.gz NAHDQZRHJTVEBO-KGLIPLIRSA-N 0 3 250.386 2.428 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccccc2O)C1 ZINC001086030900 811012063 /nfs/dbraw/zinc/01/20/63/811012063.db2.gz ZCCJXKDDXFZCJS-TXEJJXNPSA-N 0 3 294.782 2.243 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1CC ZINC001039370195 811019850 /nfs/dbraw/zinc/01/98/50/811019850.db2.gz ZGVOSRIRGWEEMG-CABCVRRESA-N 0 3 299.418 2.279 20 30 CEEDHN C[C@H](C#N)CN[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724068583 811034440 /nfs/dbraw/zinc/03/44/40/811034440.db2.gz MBWHJNHEDRUVMZ-FRRDWIJNSA-N 0 3 281.400 2.429 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2csc(C)n2)C1 ZINC001086175911 811052745 /nfs/dbraw/zinc/05/27/45/811052745.db2.gz RPEPIRDKIZBPBW-PHIMTYICSA-N 0 3 299.827 2.302 20 30 CEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C=C3CCC3)C2)C1 ZINC001040151429 811094691 /nfs/dbraw/zinc/09/46/91/811094691.db2.gz BYQVUINALHKJIW-GOSISDBHSA-N 0 3 286.419 2.435 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C3(C4CC4)CC3)C2)C1 ZINC001040255388 811100827 /nfs/dbraw/zinc/10/08/27/811100827.db2.gz TUJVYNPXSOXTEL-QGZVFWFLSA-N 0 3 286.419 2.124 20 30 CEEDHN CC#CCN1CCC2(CCN(C(=O)CC3CC3)C2)CC1 ZINC001040573290 811116254 /nfs/dbraw/zinc/11/62/54/811116254.db2.gz VDTBABTUUAUXEH-UHFFFAOYSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)/C=C(/C)C3CC3)C2)CC1 ZINC001040620612 811120397 /nfs/dbraw/zinc/12/03/97/811120397.db2.gz FKIASHAKPYMZRP-SQFISAMPSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)[C@@]3(C)C=CCC3)C2)CC1 ZINC001040809300 811125792 /nfs/dbraw/zinc/12/57/92/811125792.db2.gz WWIJCLOXLXQWIM-KRWDZBQOSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)[C@H]3C[C@@]3(C)CC)C2)CC1 ZINC001040901347 811128296 /nfs/dbraw/zinc/12/82/96/811128296.db2.gz KKZIYEWRBKLHBJ-NVXWUHKLSA-N 0 3 288.435 2.370 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC2(C)COC2)c1 ZINC001122541212 815423180 /nfs/dbraw/zinc/42/31/80/815423180.db2.gz MUOLOYGDHYKBOM-ZDUSSCGKSA-N 0 3 286.331 2.069 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)/C=C/c3ccco3)C2)C1 ZINC001041023032 811137866 /nfs/dbraw/zinc/13/78/66/811137866.db2.gz OSCOCOXXEJXFSM-IPLHWJFFSA-N 0 3 298.386 2.241 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ocnc2CC)C1 ZINC001086473053 811154218 /nfs/dbraw/zinc/15/42/18/811154218.db2.gz MFSIRNHOYFUJRR-XYPYZODXSA-N 0 3 297.786 2.088 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)C(C)(C)C3CCC3)C2)C1 ZINC001041506278 811169728 /nfs/dbraw/zinc/16/97/28/811169728.db2.gz PZYHKBJYGPVIHK-SFHVURJKSA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@H](C(C)(C)C)CC1 ZINC001122571819 815426508 /nfs/dbraw/zinc/42/65/08/815426508.db2.gz DYRMFDGOXASDKQ-KBPBESRZSA-N 0 3 282.428 2.334 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@H](C(C)(C)C)CC1 ZINC001122571821 815426854 /nfs/dbraw/zinc/42/68/54/815426854.db2.gz DYRMFDGOXASDKQ-KGLIPLIRSA-N 0 3 282.428 2.334 20 30 CEEDHN Cn1ccnc1C(C#N)C(=O)[C@H]1CC2CCC1CC2 ZINC001122608892 815430901 /nfs/dbraw/zinc/43/09/01/815430901.db2.gz FNDKGEXWHSBOIQ-IFWUJCSASA-N 0 3 257.337 2.423 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)CCc3ccccc3)C2)C1 ZINC001041800409 811194171 /nfs/dbraw/zinc/19/41/71/811194171.db2.gz PTAONIMJDVMFES-IBGZPJMESA-N 0 3 296.414 2.177 20 30 CEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3ccoc3)C[C@H]21 ZINC001041938581 811218444 /nfs/dbraw/zinc/21/84/44/811218444.db2.gz LFUOEFJLFMVUIC-DZGCQCFKSA-N 0 3 274.364 2.392 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cnccc3C)C[C@H]21 ZINC001041996086 811228488 /nfs/dbraw/zinc/22/84/88/811228488.db2.gz LHNGWHQHUMDYNF-GOEBONIOSA-N 0 3 285.391 2.112 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C=C3CCC3)C[C@H]21 ZINC001042009838 811231329 /nfs/dbraw/zinc/23/13/29/811231329.db2.gz IDPRGGOCPNIODK-HZPDHXFCSA-N 0 3 272.392 2.043 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ncccc3CC)C[C@@H]21 ZINC001042125485 811246937 /nfs/dbraw/zinc/24/69/37/811246937.db2.gz UWJKWOKRPZMBIL-CVEARBPZSA-N 0 3 299.418 2.366 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)Cc3ccccc3)C[C@@H]21 ZINC001042119363 811247741 /nfs/dbraw/zinc/24/77/41/811247741.db2.gz GOBIDZRLYUPLCC-MSOLQXFVSA-N 0 3 296.414 2.175 20 30 CEEDHN N#Cc1ccc2c(c1)CN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169012560 811334307 /nfs/dbraw/zinc/33/43/07/811334307.db2.gz RDFBHEBOTFUURJ-XJKSGUPXSA-N 0 3 285.347 2.362 20 30 CEEDHN C[C@@H](CCCC#N)NCc1cn(Cc2ccncc2)cn1 ZINC001172488596 815450653 /nfs/dbraw/zinc/45/06/53/815450653.db2.gz UZAWIENYGPANFG-AWEZNQCLSA-N 0 3 283.379 2.498 20 30 CEEDHN C[C@H](CCCC#N)N1CCCC[C@]12CC(=O)N(C)C2 ZINC001172493703 815452535 /nfs/dbraw/zinc/45/25/35/815452535.db2.gz CETUROYBCCEWCE-UKRRQHHQSA-N 0 3 263.385 2.156 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2ccnn2C(F)F)CC1 ZINC001045450638 811612992 /nfs/dbraw/zinc/61/29/92/811612992.db2.gz XPOJWUCDAKZIPA-UHFFFAOYSA-N 0 3 298.337 2.049 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001045476690 811615843 /nfs/dbraw/zinc/61/58/43/811615843.db2.gz XZHPBVRUIDQRAF-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cc(Cl)no2)CC1 ZINC001045623468 811634105 /nfs/dbraw/zinc/63/41/05/811634105.db2.gz SMGJOKOKVDJBMV-UHFFFAOYSA-N 0 3 283.759 2.098 20 30 CEEDHN C=C[C@@H](CO)Nc1nc2cccc(Br)c2[nH]1 ZINC001169784556 811669702 /nfs/dbraw/zinc/66/97/02/811669702.db2.gz ZSTJAYUXMUYFOF-ZETCQYMHSA-N 0 3 282.141 2.284 20 30 CEEDHN C[C@H](C#N)C(=O)N[C@@H](C)CCCCNCc1nccs1 ZINC001169847585 811686062 /nfs/dbraw/zinc/68/60/62/811686062.db2.gz KHDMDQOTFUJNIZ-NEPJUHHUSA-N 0 3 294.424 2.067 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1cc2n(n1)CCCC2 ZINC001169844601 811686183 /nfs/dbraw/zinc/68/61/83/811686183.db2.gz OGKAQSOOIJNXDP-UHFFFAOYSA-N 0 3 276.428 2.159 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(C)s2)C1 ZINC001046107680 811687444 /nfs/dbraw/zinc/68/74/44/811687444.db2.gz KPXKDLYDQZDBFD-OAHLLOKOSA-N 0 3 276.405 2.274 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)[C@H]2CCCc3cccnc32)C1 ZINC001046565738 811776063 /nfs/dbraw/zinc/77/60/63/811776063.db2.gz SXNNIVAQAMUQLA-YJBOKZPZSA-N 0 3 299.418 2.268 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2csc(C)n2)C1 ZINC001046571991 811777460 /nfs/dbraw/zinc/77/74/60/811777460.db2.gz PTMIQXHUSRDIJD-AWEZNQCLSA-N 0 3 279.409 2.222 20 30 CEEDHN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C/c1ccco1)C2 ZINC001108871710 811784210 /nfs/dbraw/zinc/78/42/10/811784210.db2.gz KNBJTCDZJNXJPT-VRVQPQNPSA-N 0 3 272.348 2.200 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001046634073 811788573 /nfs/dbraw/zinc/78/85/73/811788573.db2.gz FCSIRWRKJMGLQG-FMKPAKJESA-N 0 3 264.413 2.435 20 30 CEEDHN C=CCCN1CC[C@](C)(NC(=O)c2cc(C3CC3)no2)C1 ZINC001046670030 811796819 /nfs/dbraw/zinc/79/68/19/811796819.db2.gz JXLIDBJVQNKNLG-INIZCTEOSA-N 0 3 289.379 2.322 20 30 CEEDHN Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C#N)C3)c1 ZINC001109078999 811819230 /nfs/dbraw/zinc/81/92/30/811819230.db2.gz VDSNSDUBPIYORW-ORQFMDKSSA-N 0 3 297.402 2.376 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CC)C2 ZINC001109609634 811913377 /nfs/dbraw/zinc/91/33/77/811913377.db2.gz FPPLOKRBFPFFDN-NDBYEHHHSA-N 0 3 254.349 2.032 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C(C)C)C2 ZINC001109784388 811944568 /nfs/dbraw/zinc/94/45/68/811944568.db2.gz RRUCIXKFFSFVAG-KBXIAJHMSA-N 0 3 262.397 2.023 20 30 CEEDHN CCn1ccnc1C(C#N)C(=O)c1cnn2ccc(C)cc12 ZINC001123233475 815491862 /nfs/dbraw/zinc/49/18/62/815491862.db2.gz JXDBEHTVOKSNEV-GFCCVEGCSA-N 0 3 293.330 2.349 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CCCOC)C2 ZINC001109941215 811973054 /nfs/dbraw/zinc/97/30/54/811973054.db2.gz OUMFDAJVNUXEGE-WCVJEAGWSA-N 0 3 294.439 2.347 20 30 CEEDHN C=CCC[C@@H](C)N1CCN(C(=O)/C(C)=C\C)CC1 ZINC001112757289 812058399 /nfs/dbraw/zinc/05/83/99/812058399.db2.gz KXHIPQYOJSQDJS-CNTYAEFGSA-N 0 3 250.386 2.452 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCCC[C@@H]3CC)C[C@@H]2C1 ZINC001049141546 812076844 /nfs/dbraw/zinc/07/68/44/812076844.db2.gz SNHTYYQWUHCGHT-MWDXBVQZSA-N 0 3 288.435 2.226 20 30 CEEDHN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccn1 ZINC001049287003 812107643 /nfs/dbraw/zinc/10/76/43/812107643.db2.gz UXFDGKROESTPFS-HZPDHXFCSA-N 0 3 285.391 2.337 20 30 CEEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(F)F ZINC001049282125 812108256 /nfs/dbraw/zinc/10/82/56/812108256.db2.gz WAZBSLMWEZBHGZ-NWDGAFQWSA-N 0 3 272.339 2.283 20 30 CEEDHN C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001049342886 812124198 /nfs/dbraw/zinc/12/41/98/812124198.db2.gz GXJDSRPFWMMMFI-HOTGVXAUSA-N 0 3 298.386 2.094 20 30 CEEDHN C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001049342886 812124202 /nfs/dbraw/zinc/12/42/02/812124202.db2.gz GXJDSRPFWMMMFI-HOTGVXAUSA-N 0 3 298.386 2.094 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)/C=C(\C)C1CC1 ZINC001049353878 812127150 /nfs/dbraw/zinc/12/71/50/812127150.db2.gz AIALOARRLJEWKU-UEWLMQCVSA-N 0 3 286.419 2.431 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)/C(C)=C\C ZINC001049409585 812140364 /nfs/dbraw/zinc/14/03/64/812140364.db2.gz BFTQCSYPDVLSTO-RZAHBXAWSA-N 0 3 260.381 2.041 20 30 CEEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H]1CCCCO1 ZINC001123337566 815505693 /nfs/dbraw/zinc/50/56/93/815505693.db2.gz HHYMPKBQFDAECS-RYUDHWBXSA-N 0 3 261.325 2.038 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(F)cn1 ZINC001049434484 812146482 /nfs/dbraw/zinc/14/64/82/812146482.db2.gz QKWZVEOCXNFWFF-CABCVRRESA-N 0 3 289.354 2.086 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[C@@H]1C(F)F ZINC001049444549 812147928 /nfs/dbraw/zinc/14/79/28/812147928.db2.gz YWHGPEBDOXNWPP-CYDGBPFRSA-N 0 3 284.350 2.139 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cocc1C ZINC001049641319 812178589 /nfs/dbraw/zinc/17/85/89/812178589.db2.gz MKWFXHNQVJZWIK-CABCVRRESA-N 0 3 274.364 2.453 20 30 CEEDHN C=CCC[C@@H](C)N1CCN(C(=O)Cc2cscn2)CC1 ZINC001113406189 812236343 /nfs/dbraw/zinc/23/63/43/812236343.db2.gz ZGTYKOJACUFTIY-CYBMUJFWSA-N 0 3 293.436 2.185 20 30 CEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)CC(C)(C)C)[C@@H]2C1 ZINC001049973744 812245138 /nfs/dbraw/zinc/24/51/38/812245138.db2.gz RXHVRIZWBKTULQ-LSDHHAIUSA-N 0 3 276.424 2.369 20 30 CEEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@@H]2CCCOC2)CC1 ZINC001113636907 812293964 /nfs/dbraw/zinc/29/39/64/812293964.db2.gz GPTJPGKUQTZMGX-CVEARBPZSA-N 0 3 294.439 2.302 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscc1C)C2 ZINC001096932836 812298489 /nfs/dbraw/zinc/29/84/89/812298489.db2.gz XHGMIJSPLLCSFY-YUELXQCFSA-N 0 3 288.416 2.415 20 30 CEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)CCCCOC ZINC001157657014 812307517 /nfs/dbraw/zinc/30/75/17/812307517.db2.gz WUWANVAQDHPLJW-OAHLLOKOSA-N 0 3 282.428 2.302 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@@H]1C(F)F)C2 ZINC001097028261 812315493 /nfs/dbraw/zinc/31/54/93/812315493.db2.gz SCQIURWDZOKKMA-SJHCENCUSA-N 0 3 284.350 2.185 20 30 CEEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccns1)C2 ZINC001097159104 812334966 /nfs/dbraw/zinc/33/49/66/812334966.db2.gz GVXFIXWKSZNJPS-UPJWGTAASA-N 0 3 291.420 2.444 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1ncoc1C(C)C ZINC001170331734 812389719 /nfs/dbraw/zinc/38/97/19/812389719.db2.gz CLUADTHCUMXWLT-UHFFFAOYSA-N 0 3 285.775 2.260 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)Cc2cc(C)ccc2C)CC1 ZINC001052675750 812444788 /nfs/dbraw/zinc/44/47/88/812444788.db2.gz AZDYQXMYOYXOJZ-SFHVURJKSA-N 0 3 298.430 2.450 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)C2(C)CC=CC2)CC1 ZINC001052680626 812446333 /nfs/dbraw/zinc/44/63/33/812446333.db2.gz QARBDDHGSUNOAR-HNNXBMFYSA-N 0 3 274.408 2.337 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)c2ccc(Cl)[nH]2)CC1 ZINC001052691239 812448500 /nfs/dbraw/zinc/44/85/00/812448500.db2.gz SRFBPRJJEBUAFU-LBPRGKRZSA-N 0 3 293.798 2.276 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)[C@H]2CCCC(F)(F)C2)CC1 ZINC001052703217 812450664 /nfs/dbraw/zinc/45/06/64/812450664.db2.gz RJNZKGWTBHYYKZ-UONOGXRCSA-N 0 3 298.377 2.416 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccoc2CCC)CC1 ZINC001052864273 812467980 /nfs/dbraw/zinc/46/79/80/812467980.db2.gz FFVSVMUPVWYXOZ-CQSZACIVSA-N 0 3 288.391 2.450 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(C3CC3)cn2)CC1 ZINC001052906240 812475073 /nfs/dbraw/zinc/47/50/73/812475073.db2.gz TYNZTLXAQITBMR-INIZCTEOSA-N 0 3 297.402 2.177 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CSC)C1 ZINC001053065138 812488006 /nfs/dbraw/zinc/48/80/06/812488006.db2.gz CNBXAEZEUYYNGG-GJZGRUSLSA-N 0 3 294.464 2.076 20 30 CEEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)c2cc[nH]c2)C1 ZINC001053088141 812490026 /nfs/dbraw/zinc/49/00/26/812490026.db2.gz ZDEMJLUSVJBIIV-DLBZAZTESA-N 0 3 299.418 2.355 20 30 CEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C1CCC1)C2 ZINC001054069503 812528222 /nfs/dbraw/zinc/52/82/22/812528222.db2.gz RQYQHGBEWQOJBH-QGZVFWFLSA-N 0 3 274.408 2.124 20 30 CEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)CC)C2 ZINC001054086194 812533191 /nfs/dbraw/zinc/53/31/91/812533191.db2.gz JAMOZOMTPLUNRQ-NVXWUHKLSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C1CC(C)(C)C1)C2 ZINC001054126787 812543469 /nfs/dbraw/zinc/54/34/69/812543469.db2.gz NTAGHBFHZQOXLQ-GOSISDBHSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)C=C)C2 ZINC001054177526 812546639 /nfs/dbraw/zinc/54/66/39/812546639.db2.gz NQKKVASTDLIQQA-QGZVFWFLSA-N 0 3 274.408 2.146 20 30 CEEDHN CC(C)(C)CC(=O)NCCNCc1ccc(C#N)s1 ZINC001123617126 815537592 /nfs/dbraw/zinc/53/75/92/815537592.db2.gz DYFVJQXQYHNPGB-UHFFFAOYSA-N 0 3 279.409 2.262 20 30 CEEDHN N#Cc1cccc(CNCCNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC001130512342 812576481 /nfs/dbraw/zinc/57/64/81/812576481.db2.gz QHEQYPGCTUPYRF-GVDBMIGSSA-N 0 3 297.402 2.200 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NCc2cncs2)C1 ZINC001054976211 812675433 /nfs/dbraw/zinc/67/54/33/812675433.db2.gz JDRMJYQGAGDHPD-WCQYABFASA-N 0 3 293.436 2.292 20 30 CEEDHN Cc1ccc(C#N)c(N2CCN(C)CC23CCCC3)n1 ZINC001158408892 812689707 /nfs/dbraw/zinc/68/97/07/812689707.db2.gz QDXAYFMRHZNEIG-UHFFFAOYSA-N 0 3 270.380 2.326 20 30 CEEDHN C[C@H](Nc1cc(Cl)ccc1CC#N)[C@H]1CNCCO1 ZINC001170576474 812702048 /nfs/dbraw/zinc/70/20/48/812702048.db2.gz VMEKJENXFRMONC-IINYFYTJSA-N 0 3 279.771 2.195 20 30 CEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)CCCF)C[C@@H](C)O2 ZINC001131677353 812704496 /nfs/dbraw/zinc/70/44/96/812704496.db2.gz LUXFIPDLWCJDEW-ZBFHGGJFSA-N 0 3 298.402 2.004 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CCSCC)CC[C@@H]1C ZINC001131849735 812740482 /nfs/dbraw/zinc/74/04/82/812740482.db2.gz UUOCOYPZIVSNGP-QWHCGFSZSA-N 0 3 270.442 2.285 20 30 CEEDHN CC[C@H](CC#N)NC1CCN(C(=O)C2CCCC2)CC1 ZINC001255155546 812715548 /nfs/dbraw/zinc/71/55/48/812715548.db2.gz QWYMFHTWCBYGHP-CQSZACIVSA-N 0 3 277.412 2.449 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)CC2(COC)CC2)CC[C@H]1C ZINC001132028689 812780214 /nfs/dbraw/zinc/78/02/14/812780214.db2.gz AGAQORMTHOXBFX-CABCVRRESA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2(C(F)F)CC2)CC[C@H]1C ZINC001132057144 812781438 /nfs/dbraw/zinc/78/14/38/812781438.db2.gz KFADDYWVRSPBNP-VXGBXAGGSA-N 0 3 284.350 2.024 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3[nH]c(C)cc3C)[C@@H]2C1 ZINC001050078159 812781688 /nfs/dbraw/zinc/78/16/88/812781688.db2.gz LTIBMFMXECGGGA-LSDHHAIUSA-N 0 3 287.407 2.354 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)[C@@H]2C1 ZINC001050121396 812784864 /nfs/dbraw/zinc/78/48/64/812784864.db2.gz GBHADJMOZYDYEV-AALSBFMBSA-N 0 3 274.408 2.141 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CCC(=C)C)CC[C@H]1C ZINC001132064297 812784872 /nfs/dbraw/zinc/78/48/72/812784872.db2.gz HRIBBLBADMAJRD-ZIAGYGMSSA-N 0 3 250.386 2.498 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)C2(COCC)CC2)CC[C@H]1C ZINC001132135081 812789537 /nfs/dbraw/zinc/78/95/37/812789537.db2.gz CYJOFQVTVNUDJG-CABCVRRESA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CCC(F)F)CC[C@@H]1C ZINC001132181858 812797658 /nfs/dbraw/zinc/79/76/58/812797658.db2.gz BKVXWDZTBKXPMC-WDEREUQCSA-N 0 3 260.328 2.187 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NCCNCc1cccnc1C ZINC001132302863 812824360 /nfs/dbraw/zinc/82/43/60/812824360.db2.gz YRBNEABZTJDGFX-UHFFFAOYSA-N 0 3 275.396 2.198 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C3CC(C)(C)C3)C2)CC1 ZINC001050509301 812834085 /nfs/dbraw/zinc/83/40/85/812834085.db2.gz PLAUSZKFTZQTCE-UHFFFAOYSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCCCCCC(=O)NCCNCc1ccc(C#N)cc1 ZINC001132398609 812840626 /nfs/dbraw/zinc/84/06/26/812840626.db2.gz HAYJPCDRAWUJTQ-UHFFFAOYSA-N 0 3 297.402 2.348 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)C(C)(C)C3CCC3)C2)CC1 ZINC001050606715 812842878 /nfs/dbraw/zinc/84/28/78/812842878.db2.gz FDXYGZHFCYFNFH-UHFFFAOYSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)c3cccn3CC)C2)CC1 ZINC001050755448 812860194 /nfs/dbraw/zinc/86/01/94/812860194.db2.gz BTYUDNSNXDDQIC-UHFFFAOYSA-N 0 3 299.418 2.069 20 30 CEEDHN C=C/C(C)=C/CC(=O)NCCNCc1cccc(C#N)c1 ZINC001132511376 812876577 /nfs/dbraw/zinc/87/65/77/812876577.db2.gz WWWKFYFVSCHBKR-VGOFMYFVSA-N 0 3 283.375 2.286 20 30 CEEDHN CC#CCCCC(=O)NCCNCc1ccc(C)nc1C ZINC001132590966 812902703 /nfs/dbraw/zinc/90/27/03/812902703.db2.gz BNJFLBIQKICRCA-UHFFFAOYSA-N 0 3 287.407 2.098 20 30 CEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CC2(F)F)C1 ZINC001086691808 812932194 /nfs/dbraw/zinc/93/21/94/812932194.db2.gz CDAKRTNOZSCJJP-HBNTYKKESA-N 0 3 292.757 2.269 20 30 CEEDHN CC#CCNCCNC(=O)c1c(Cl)oc2ccccc21 ZINC001132724799 812933282 /nfs/dbraw/zinc/93/32/82/812933282.db2.gz KOBJEZYSVUJFPF-UHFFFAOYSA-N 0 3 290.750 2.429 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)C2CCCC2)CC1 ZINC001052144082 812934738 /nfs/dbraw/zinc/93/47/38/812934738.db2.gz GMKNAUJJAXFBGJ-HNNXBMFYSA-N 0 3 262.397 2.171 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)c2cc(C)nc(C)c2)CC1 ZINC001052414483 812988957 /nfs/dbraw/zinc/98/89/57/812988957.db2.gz CAHCVMBILQFXAU-QGZVFWFLSA-N 0 3 299.418 2.306 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC001052429551 812990941 /nfs/dbraw/zinc/99/09/41/812990941.db2.gz ACYFLPRMOFWEHB-ZIAGYGMSSA-N 0 3 298.377 2.416 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccn3c2CCCC3)CC1 ZINC001052454085 812994668 /nfs/dbraw/zinc/99/46/68/812994668.db2.gz ZVOKZMOMCVTBBS-OAHLLOKOSA-N 0 3 299.418 2.042 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)c2[nH]c(C)cc2C)CC1 ZINC001052495009 812999751 /nfs/dbraw/zinc/99/97/51/812999751.db2.gz HITQTOIAROPHCF-OAHLLOKOSA-N 0 3 287.407 2.239 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)c2ccc(CC)o2)CC1 ZINC001052500488 813002049 /nfs/dbraw/zinc/00/20/49/813002049.db2.gz HLYIIIRFLNRGMB-CQSZACIVSA-N 0 3 288.391 2.450 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2c(C)oc(C)c2C)CC1 ZINC001052543976 813006248 /nfs/dbraw/zinc/00/62/48/813006248.db2.gz JBJMCKRZTUQVJU-OAHLLOKOSA-N 0 3 288.391 2.422 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccn3ccccc23)CC1 ZINC001052551663 813006269 /nfs/dbraw/zinc/00/62/69/813006269.db2.gz HYPRNKSMSMXFBO-OAHLLOKOSA-N 0 3 295.386 2.157 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)[C@H]2CCCCC2(F)F)CC1 ZINC001052591296 813008808 /nfs/dbraw/zinc/00/88/08/813008808.db2.gz OGKKEKNOHWKVQK-ZIAGYGMSSA-N 0 3 298.377 2.416 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001052632812 813018082 /nfs/dbraw/zinc/01/80/82/813018082.db2.gz JKBLKAVCTUKFOU-CABCVRRESA-N 0 3 276.424 2.417 20 30 CEEDHN N=C(N[C@H]1CCSC1)c1ccc2ccccc2n1 ZINC001255276131 813037315 /nfs/dbraw/zinc/03/73/15/813037315.db2.gz FNUXELFJPSCULJ-NSHDSACASA-N 0 3 257.362 2.446 20 30 CEEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cncnc1C#N ZINC001170682283 813042555 /nfs/dbraw/zinc/04/25/55/813042555.db2.gz PIYVDRVNPWBCTB-NSHDSACASA-N 0 3 290.330 2.221 20 30 CEEDHN CCCC1(C(=O)NCCNCc2ccc(C#N)cc2)CC1 ZINC001133461189 813073748 /nfs/dbraw/zinc/07/37/48/813073748.db2.gz QPNAGCRRPIZVFJ-UHFFFAOYSA-N 0 3 285.391 2.344 20 30 CEEDHN C=CC(C)(C)CC(=O)NCCCNCc1nccn1CC ZINC001158887271 813110958 /nfs/dbraw/zinc/11/09/58/813110958.db2.gz UWIVZVOWXMKQHX-UHFFFAOYSA-N 0 3 292.427 2.101 20 30 CEEDHN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1ccn(CC)n1 ZINC001133883554 813168075 /nfs/dbraw/zinc/16/80/75/813168075.db2.gz CDYZZMVBDJXTAM-ZIAGYGMSSA-N 0 3 292.427 2.242 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CNCCC(F)F ZINC001204048520 813196967 /nfs/dbraw/zinc/19/69/67/813196967.db2.gz TYPYMLHERMHMAH-UHFFFAOYSA-N 0 3 253.296 2.369 20 30 CEEDHN C#CCNCCNC(=O)[C@@H](CC)CC1CCCCC1 ZINC001134677280 813308574 /nfs/dbraw/zinc/30/85/74/813308574.db2.gz ABSYPXCBSKEKCG-HNNXBMFYSA-N 0 3 264.413 2.322 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)C(C)(F)F)CC[C@@H]1C ZINC001071299720 813353634 /nfs/dbraw/zinc/35/36/34/813353634.db2.gz NFIXTXWQTPICDR-QWRGUYRKSA-N 0 3 260.328 2.187 20 30 CEEDHN C=CCCN1C[C@H](NC(=O)C(C)(F)F)CC[C@H]1C ZINC001071299718 813353919 /nfs/dbraw/zinc/35/39/19/813353919.db2.gz NFIXTXWQTPICDR-GHMZBOCLSA-N 0 3 260.328 2.187 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1 ZINC001135099026 813365241 /nfs/dbraw/zinc/36/52/41/813365241.db2.gz DXZAILSCRHISIQ-DLBZAZTESA-N 0 3 297.402 2.200 20 30 CEEDHN C=CCCN1C[C@H](NC(=O)c2cncs2)CC[C@@H]1C ZINC001071373786 813381106 /nfs/dbraw/zinc/38/11/06/813381106.db2.gz OGDQHMHPQSQVMV-NWDGAFQWSA-N 0 3 279.409 2.302 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cc(C)on2)CC[C@@H]1C ZINC001071393302 813388462 /nfs/dbraw/zinc/38/84/62/813388462.db2.gz BVECVBOSFXOFLB-GXTWGEPZSA-N 0 3 291.395 2.071 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2nccn2CC)CC[C@H]1C ZINC001071464148 813413262 /nfs/dbraw/zinc/41/32/62/813413262.db2.gz XQCZDAXMXOZZPU-KGLIPLIRSA-N 0 3 290.411 2.062 20 30 CEEDHN C=CCN1C[C@H](NC(=O)Cc2cnccc2C)CC[C@H]1C ZINC001071579287 813441775 /nfs/dbraw/zinc/44/17/75/813441775.db2.gz BPYCRACXJGMUHQ-GDBMZVCRSA-N 0 3 287.407 2.088 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2occc2CC)CC[C@@H]1C ZINC001071799903 813485137 /nfs/dbraw/zinc/48/51/37/813485137.db2.gz OQWBKFPKZQRMRU-DZGCQCFKSA-N 0 3 288.391 2.448 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cc3c([nH]2)CCC3)CC[C@H]1C ZINC001071984373 813524174 /nfs/dbraw/zinc/52/41/74/813524174.db2.gz CTXNMZFKKQOTOY-HIFRSBDPSA-N 0 3 299.418 2.109 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3ccsc3C)C2)C1 ZINC001072712528 813642842 /nfs/dbraw/zinc/64/28/42/813642842.db2.gz QESCACYWOBKRTL-UHFFFAOYSA-N 0 3 276.405 2.390 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(CC)o3)C2)C1 ZINC001072861071 813675687 /nfs/dbraw/zinc/67/56/87/813675687.db2.gz VKTWOXBFDUNZAR-UHFFFAOYSA-N 0 3 274.364 2.176 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cn(C(C)C)nc1C ZINC001170980070 813717628 /nfs/dbraw/zinc/71/76/28/813717628.db2.gz ZYXJAIIGCLHWGZ-UHFFFAOYSA-N 0 3 298.818 2.234 20 30 CEEDHN C=CCN1CC=C(CCNC(=O)C2CC(OCC)C2)CC1 ZINC001160020682 813719361 /nfs/dbraw/zinc/71/93/61/813719361.db2.gz BKNWORABSYQCCC-UHFFFAOYSA-N 0 3 292.423 2.126 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CC34CCCC4)C2)C1 ZINC001073105055 813726585 /nfs/dbraw/zinc/72/65/85/813726585.db2.gz XUXIGMVFGYASTD-HNNXBMFYSA-N 0 3 286.419 2.124 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCCOC1)C2 ZINC001098422588 813924209 /nfs/dbraw/zinc/92/42/09/813924209.db2.gz FVMAHCFNYKBTAR-FPCVCCKLSA-N 0 3 292.423 2.101 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2C=CCC2)C1 ZINC001098722810 813939854 /nfs/dbraw/zinc/93/98/54/813939854.db2.gz ATYHYZRXBBTFSJ-BQFCYCMXSA-N 0 3 286.419 2.337 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc[nH]c2CC)C1 ZINC001098822813 813953546 /nfs/dbraw/zinc/95/35/46/813953546.db2.gz WACFZYIITWKMRI-GUYCJALGSA-N 0 3 287.407 2.347 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001098986123 813971602 /nfs/dbraw/zinc/97/16/02/813971602.db2.gz IGPUCAIAGBDVGT-CLBVLKOUSA-N 0 3 274.408 2.189 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)CN1CCO ZINC001099171349 813991806 /nfs/dbraw/zinc/99/18/06/813991806.db2.gz PBOSXBINKFOZNQ-AWEZNQCLSA-N 0 3 296.455 2.188 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@H]1C(F)(F)F ZINC001099237675 813996871 /nfs/dbraw/zinc/99/68/71/813996871.db2.gz HMLBELJJMZIZHK-GMTAPVOTSA-N 0 3 290.329 2.197 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)CC2(C)CC2)C[C@H]1C(F)(F)F ZINC001099281257 813997291 /nfs/dbraw/zinc/99/72/91/813997291.db2.gz LFLWLYFUOOHOMK-GHMZBOCLSA-N 0 3 290.329 2.342 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CCOC ZINC001099344786 814000059 /nfs/dbraw/zinc/00/00/59/814000059.db2.gz PPDQVDNQFWDRDV-HUUCEWRRSA-N 0 3 296.455 2.452 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)CCC2CC2)C1 ZINC001100199432 814073449 /nfs/dbraw/zinc/07/34/49/814073449.db2.gz KIFPKMJNCUUZID-UHFFFAOYSA-N 0 3 270.804 2.414 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(F)c[nH]2)C1 ZINC001091150114 814092902 /nfs/dbraw/zinc/09/29/02/814092902.db2.gz PLRKGPBGCNKSIU-UHFFFAOYSA-N 0 3 285.750 2.004 20 30 CEEDHN CCCCCCCCC[C@H](C)N1CCNC(=O)C12CNC2 ZINC001246632747 814229756 /nfs/dbraw/zinc/22/97/56/814229756.db2.gz ABIKMOAMAMLNQR-HNNXBMFYSA-N 0 3 295.471 2.289 20 30 CEEDHN C=C/C(C)=C/CC(=O)N1C[C@H]2CN(CC#CC)C[C@@]2(C)C1 ZINC001101330444 814248669 /nfs/dbraw/zinc/24/86/69/814248669.db2.gz LVPVLGYKXHZDQD-IPKGWLELSA-N 0 3 286.419 2.312 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)CC(C)(C)C3CC3)C[C@]2(C)C1 ZINC001091650323 814488837 /nfs/dbraw/zinc/48/88/37/814488837.db2.gz ARHJIEWGCXHUCI-QAPCUYQASA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@]3(C)CC=CCC3)C[C@]2(C)C1 ZINC001091699948 814546418 /nfs/dbraw/zinc/54/64/18/814546418.db2.gz VEGQYCMNWADLKJ-NJAFHUGGSA-N 0 3 286.419 2.146 20 30 CEEDHN CC#CCNCCNC(=O)Cc1cccc2ccccc21 ZINC001148716020 814606232 /nfs/dbraw/zinc/60/62/32/814606232.db2.gz KHDZLOIEMQOYMA-UHFFFAOYSA-N 0 3 280.371 2.111 20 30 CEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C3CC3)C2)CC1 ZINC001086896131 814644089 /nfs/dbraw/zinc/64/40/89/814644089.db2.gz CUHMXRRBNNWWFA-AWEZNQCLSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)CC)C2)CC1 ZINC001086905133 814647482 /nfs/dbraw/zinc/64/74/82/814647482.db2.gz UAFKPPONFBVJSO-LSDHHAIUSA-N 0 3 276.424 2.369 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C=C)c1ccccc1 ZINC001115281067 814690680 /nfs/dbraw/zinc/69/06/80/814690680.db2.gz ZGPUJKWTJHQMBF-NCOADZHNSA-N 0 3 282.387 2.189 20 30 CEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H](C)CCCC)C1 ZINC001149646623 814719952 /nfs/dbraw/zinc/71/99/52/814719952.db2.gz NWLHLPDPTMOWIF-JKSUJKDBSA-N 0 3 294.439 2.043 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2sc(C)cc2C)[C@H](C)C1 ZINC001092642342 814722076 /nfs/dbraw/zinc/72/20/76/814722076.db2.gz TWDMIEKGSHJRMD-TZMCWYRMSA-N 0 3 290.432 2.296 20 30 CEEDHN C#CCN(C[C@H](O)c1ccc(F)c(F)c1)CC1CC1 ZINC001116369786 814849186 /nfs/dbraw/zinc/84/91/86/814849186.db2.gz VHNRAENHMUIIEP-HNNXBMFYSA-N 0 3 265.303 2.343 20 30 CEEDHN C/C(=C/C(=O)NCCNCc1cccc(C#N)c1)C1CC1 ZINC001124217030 815604952 /nfs/dbraw/zinc/60/49/52/815604952.db2.gz JFGLLFNSOYUNAA-LCYFTJDESA-N 0 3 283.375 2.120 20 30 CEEDHN C=CCCC(=O)NCCNCc1cnn(-c2ccccc2)c1 ZINC001124645870 815624386 /nfs/dbraw/zinc/62/43/86/815624386.db2.gz ANVQAFUZYUPXGB-UHFFFAOYSA-N 0 3 298.390 2.044 20 30 CEEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CN(CC(=C)C)CCCO1 ZINC001150160330 815627446 /nfs/dbraw/zinc/62/74/46/815627446.db2.gz ZBLLYHYFHCSYLM-HZPDHXFCSA-N 0 3 294.439 2.372 20 30 CEEDHN N#Cc1c(Cl)ncnc1N[C@H]1CCN(C2CCC2)C1 ZINC001161176468 815659169 /nfs/dbraw/zinc/65/91/69/815659169.db2.gz XDYNPEPLLSBEKA-VIFPVBQESA-N 0 3 277.759 2.040 20 30 CEEDHN CC[C@@H]1CC[C@H](N2CCN(c3nccnc3C#N)CC2)C1 ZINC001173286113 815670836 /nfs/dbraw/zinc/67/08/36/815670836.db2.gz DNGWMPJQTVWWIZ-KGLIPLIRSA-N 0 3 285.395 2.049 20 30 CEEDHN CCOC(=O)C(C#N)NC(=O)Nc1ccc(C)c(Cl)c1 ZINC001202810984 815687828 /nfs/dbraw/zinc/68/78/28/815687828.db2.gz RDLDUOLCNCKTBK-NSHDSACASA-N 0 3 295.726 2.225 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c1[O-] ZINC001138625194 815845285 /nfs/dbraw/zinc/84/52/85/815845285.db2.gz GZPSDAVVUOPJIT-IUODEOHRSA-N 0 3 261.365 2.323 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c1[O-] ZINC001138625194 815845293 /nfs/dbraw/zinc/84/52/93/815845293.db2.gz GZPSDAVVUOPJIT-IUODEOHRSA-N 0 3 261.365 2.323 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c1[O-] ZINC001138625324 815847342 /nfs/dbraw/zinc/84/73/42/815847342.db2.gz JINOOGZEHFJBPI-HUUCEWRRSA-N 0 3 259.349 2.484 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@H]3OCC[C@H]32)c1[O-] ZINC001138625324 815847346 /nfs/dbraw/zinc/84/73/46/815847346.db2.gz JINOOGZEHFJBPI-HUUCEWRRSA-N 0 3 259.349 2.484 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1[O-] ZINC001138625648 815847640 /nfs/dbraw/zinc/84/76/40/815847640.db2.gz RNYRMXZINBXSEK-KGLIPLIRSA-N 0 3 265.328 2.025 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c1[O-] ZINC001138625648 815847649 /nfs/dbraw/zinc/84/76/49/815847649.db2.gz RNYRMXZINBXSEK-KGLIPLIRSA-N 0 3 265.328 2.025 20 30 CEEDHN C=CCc1cccc(CN2CCCC3(C2)OCCO3)c1O ZINC001138628197 815848258 /nfs/dbraw/zinc/84/82/58/815848258.db2.gz QIXHGWQQIMDDIY-UHFFFAOYSA-N 0 3 289.375 2.460 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CCCC3(C2)OCCO3)c1[O-] ZINC001138628197 815848267 /nfs/dbraw/zinc/84/82/67/815848267.db2.gz QIXHGWQQIMDDIY-UHFFFAOYSA-N 0 3 289.375 2.460 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CCCC3(C2)OCCO3)c1[O-] ZINC001138628197 815848275 /nfs/dbraw/zinc/84/82/75/815848275.db2.gz QIXHGWQQIMDDIY-UHFFFAOYSA-N 0 3 289.375 2.460 20 30 CEEDHN C=CCc1cccc(CN2CCC3(C2)OCCO3)c1O ZINC001138628706 815849217 /nfs/dbraw/zinc/84/92/17/815849217.db2.gz CPBTYGAONRRQPX-UHFFFAOYSA-N 0 3 275.348 2.070 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCC1)C2 ZINC001095267710 815867971 /nfs/dbraw/zinc/86/79/71/815867971.db2.gz GYFKMHAVHLIADI-ILXRZTDVSA-N 0 3 262.397 2.474 20 30 CEEDHN C=CCOc1ccccc1CN1CC(C)(N(C)C)C1 ZINC001139029692 815946659 /nfs/dbraw/zinc/94/66/59/815946659.db2.gz HDLVIUQGDMTILK-UHFFFAOYSA-N 0 3 260.381 2.387 20 30 CEEDHN C=CCn1cc(CN2CCC(CCOC)CC2)cn1 ZINC001139770438 816111420 /nfs/dbraw/zinc/11/14/20/816111420.db2.gz NDBBATLNJVPUKI-UHFFFAOYSA-N 0 3 263.385 2.318 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)Cc1ccc(F)cc1 ZINC001175057916 816125493 /nfs/dbraw/zinc/12/54/93/816125493.db2.gz FTVGXIFKCKOYBD-UHFFFAOYSA-N 0 3 284.762 2.217 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)c1oc(CC)nc1C ZINC001139869336 816130935 /nfs/dbraw/zinc/13/09/35/816130935.db2.gz FYJCEDMCTQUPPI-UHFFFAOYSA-N 0 3 279.384 2.125 20 30 CEEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H](CC)CCC)C1 ZINC001150516215 816229271 /nfs/dbraw/zinc/22/92/71/816229271.db2.gz FGKNBTVOAZDQOL-JKSUJKDBSA-N 0 3 294.439 2.043 20 30 CEEDHN COCC[C@@H]1CCCCN1Cc1ccc(C#N)nc1 ZINC001140544060 816283450 /nfs/dbraw/zinc/28/34/50/816283450.db2.gz XBZYKCFJULFAQT-HNNXBMFYSA-N 0 3 259.353 2.344 20 30 CEEDHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cc[nH]c1)C2 ZINC001140705884 816327834 /nfs/dbraw/zinc/32/78/34/816327834.db2.gz CBTVQTRQQXDDIH-CVEARBPZSA-N 0 3 276.380 2.341 20 30 CEEDHN N#Cc1ccc([O-])c(Nc2cnn(CC[NH+]3CCCC3)c2)c1 ZINC001176561076 816441787 /nfs/dbraw/zinc/44/17/87/816441787.db2.gz ZBSCOLFVANENLE-UHFFFAOYSA-N 0 3 297.362 2.300 20 30 CEEDHN N#CC(Cc1cccs1)C(=O)Nc1cn(CCF)cn1 ZINC001177909598 816640583 /nfs/dbraw/zinc/64/05/83/816640583.db2.gz WYRXAVFRRDXIBD-JTQLQIEISA-N 0 3 292.339 2.235 20 30 CEEDHN CC(C#N)C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000336329355 365557496 /nfs/dbraw/zinc/55/74/96/365557496.db2.gz HHBYTGWQGBXULT-LBPRGKRZSA-N 0 3 291.782 2.144 20 30 CEEDHN C=CCC[C@@H](O)CN(C)CCOc1ccc(F)cc1 ZINC000121388579 365560912 /nfs/dbraw/zinc/56/09/12/365560912.db2.gz HCACKPUUFZOCRB-CQSZACIVSA-N 0 3 267.344 2.463 20 30 CEEDHN N#CC(C(=O)c1ccnc(-n2cccn2)c1)c1ccccn1 ZINC000123956251 365642997 /nfs/dbraw/zinc/64/29/97/365642997.db2.gz JCSLMVOBVAVKBE-CYBMUJFWSA-N 0 3 289.298 2.152 20 30 CEEDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000118398653 282125208 /nfs/dbraw/zinc/12/52/08/282125208.db2.gz IIKMJRYHMVIIPX-XHDPSFHLSA-N 0 3 281.363 2.124 20 30 CEEDHN C#CCN(CCC(=O)N(C)C)[C@H]1CCc2ccccc21 ZINC000080002665 343996732 /nfs/dbraw/zinc/99/67/32/343996732.db2.gz CGMWQALKVAWMJE-INIZCTEOSA-N 0 3 270.376 2.087 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601580100 346853977 /nfs/dbraw/zinc/85/39/77/346853977.db2.gz FYAKXFHSCXDTKH-ZDUSSCGKSA-N 0 3 275.396 2.061 20 30 CEEDHN Cc1ncc(CN[C@@H]2CCc3ccc(C#N)cc32)c(=O)[nH]1 ZINC000353676502 282155712 /nfs/dbraw/zinc/15/57/12/282155712.db2.gz JXRWHOZBLAFRII-OAHLLOKOSA-N 0 3 280.331 2.139 20 30 CEEDHN C#CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000080564588 344014440 /nfs/dbraw/zinc/01/44/40/344014440.db2.gz VYMXPBIFGNWOQD-TZMCWYRMSA-N 0 3 291.420 2.063 20 30 CEEDHN N#CCSCCCN1CCCC[C@H]1C(=O)N1CCCC1 ZINC000080627851 344017504 /nfs/dbraw/zinc/01/75/04/344017504.db2.gz RSNIEOVTTVUAHO-AWEZNQCLSA-N 0 3 295.452 2.110 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000621762997 349694993 /nfs/dbraw/zinc/69/49/93/349694993.db2.gz ODYXQLLDZKXODK-UXLLHSPISA-N 0 3 286.375 2.417 20 30 CEEDHN C[C@H](C(=O)N(C)[C@@H]1CCC[C@H]1C#N)N1CCCCCC1 ZINC000601810430 346904912 /nfs/dbraw/zinc/90/49/12/346904912.db2.gz UIUNPTSOPDJAHD-QLFBSQMISA-N 0 3 277.412 2.402 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)CCN1C ZINC000127840394 187336572 /nfs/dbraw/zinc/33/65/72/187336572.db2.gz UFNCZTAKERHTTA-MFKMUULPSA-N 0 3 274.324 2.361 20 30 CEEDHN C=CCOc1ccc(CNCCn2ccnc2)cc1 ZINC000041063304 362016302 /nfs/dbraw/zinc/01/63/02/362016302.db2.gz MOUBANURNQPCCW-UHFFFAOYSA-N 0 3 257.337 2.238 20 30 CEEDHN CN(CCNc1cnc(C#N)cn1)Cc1ccc(F)cc1 ZINC000126346997 187234681 /nfs/dbraw/zinc/23/46/81/187234681.db2.gz VRTOHUUXOHMRRF-UHFFFAOYSA-N 0 3 285.326 2.031 20 30 CEEDHN COCCCN(CCOC)Cc1ccc(C#N)cc1 ZINC000042256302 362075718 /nfs/dbraw/zinc/07/57/18/362075718.db2.gz RUXQBCBDSOOFIG-UHFFFAOYSA-N 0 3 262.353 2.043 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C)CC1 ZINC000042287174 362077405 /nfs/dbraw/zinc/07/74/05/362077405.db2.gz WKXISJPPMIAVCI-CQSZACIVSA-N 0 3 250.386 2.307 20 30 CEEDHN CCN1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000126954858 365727536 /nfs/dbraw/zinc/72/75/36/365727536.db2.gz LYJHYXTVJMCRCU-UHFFFAOYSA-N 0 3 291.782 2.379 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(C)C)C(C)C ZINC000046049384 362174001 /nfs/dbraw/zinc/17/40/01/362174001.db2.gz DYGPWQNEZKUNTJ-CQSZACIVSA-N 0 3 252.402 2.457 20 30 CEEDHN CC(C)OCCN1CCCN(c2ccccc2C#N)CC1 ZINC000046086709 362175938 /nfs/dbraw/zinc/17/59/38/362175938.db2.gz LMYZWBYBLBQBNQ-UHFFFAOYSA-N 0 3 287.407 2.495 20 30 CEEDHN CCN(CC(=O)N[C@](C)(C#N)C1CC1)C1CCCC1 ZINC000047966077 362235391 /nfs/dbraw/zinc/23/53/91/362235391.db2.gz YCSWSYSSAZCESQ-OAHLLOKOSA-N 0 3 263.385 2.059 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccco1 ZINC000047010676 343509624 /nfs/dbraw/zinc/50/96/24/343509624.db2.gz BEPKVJUVNIGPQB-UHFFFAOYSA-N 0 3 297.358 2.355 20 30 CEEDHN CCCNC(=O)[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000050998688 343547234 /nfs/dbraw/zinc/54/72/34/343547234.db2.gz FMGVCAUQDFUOQT-MRXNPFEDSA-N 0 3 285.391 2.296 20 30 CEEDHN C#CCN1CCC(C(=O)NC2CCC(C)(C)CC2)CC1 ZINC000128061329 365774881 /nfs/dbraw/zinc/77/48/81/365774881.db2.gz SSTQSIBVSDTEHR-UHFFFAOYSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000057153687 343625313 /nfs/dbraw/zinc/62/53/13/343625313.db2.gz MJQODIQDHPSEDD-UHFFFAOYSA-N 0 3 284.359 2.173 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000065477901 343698720 /nfs/dbraw/zinc/69/87/20/343698720.db2.gz MDMIVVDCIVNPTQ-OAHLLOKOSA-N 0 3 279.428 2.490 20 30 CEEDHN CN1C[C@H](NC(=O)[C@H]2CCC(=O)N2)[C@H](c2ccccc2)C1 ZINC000329028884 529824362 /nfs/dbraw/zinc/82/43/62/529824362.db2.gz PBLHXCTTWFQJRU-MJBXVCDLSA-N 0 3 287.363 2.160 20 30 CEEDHN N#Cc1ccc(OCCN(CCO)Cc2ccccc2)cc1 ZINC000070928151 343797343 /nfs/dbraw/zinc/79/73/43/343797343.db2.gz GKHMJERPHPAKIX-UHFFFAOYSA-N 0 3 296.370 2.432 20 30 CEEDHN C#CCOc1ccc(CNC[C@H](OC)C(C)C)cc1 ZINC000072924724 343815039 /nfs/dbraw/zinc/81/50/39/343815039.db2.gz DBFZJVDOTQOFJF-INIZCTEOSA-N 0 3 261.365 2.459 20 30 CEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)C#N ZINC000408067338 260210362 /nfs/dbraw/zinc/21/03/62/260210362.db2.gz KGAJSMPEOWONJO-XQQFMLRXSA-N 0 3 265.401 2.019 20 30 CEEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCN2CCCCC2)c1 ZINC000081543273 344057096 /nfs/dbraw/zinc/05/70/96/344057096.db2.gz DEABYXWVQAANDR-DLBZAZTESA-N 0 3 297.402 2.264 20 30 CEEDHN CCCCN(C[C@@H](C)CCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000602432607 347030384 /nfs/dbraw/zinc/03/03/84/347030384.db2.gz IQKCBVNHJCMIHI-KBPBESRZSA-N 0 3 286.441 2.215 20 30 CEEDHN C[C@@H](CC#N)N(C)C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000131753126 344359893 /nfs/dbraw/zinc/35/98/93/344359893.db2.gz XLCVUMGYFBYHLK-OBJOEFQTSA-N 0 3 259.353 2.083 20 30 CEEDHN CCN(C[C@@H](C)CCC#N)[C@H](C)CS(=O)(=O)CC ZINC000602467403 347045135 /nfs/dbraw/zinc/04/51/35/347045135.db2.gz GIKLOCOTXPNORC-QWHCGFSZSA-N 0 3 274.430 2.071 20 30 CEEDHN C=CCN(C(=O)[C@H]1CNCc2ccccc21)C1CC1 ZINC000165282880 344473828 /nfs/dbraw/zinc/47/38/28/344473828.db2.gz NJFLANJXQKHPPC-HNNXBMFYSA-N 0 3 256.349 2.050 20 30 CEEDHN CC[C@H]1CN(C)CCCN1C(=O)c1cccc(C#N)c1 ZINC000234058599 344583369 /nfs/dbraw/zinc/58/33/69/344583369.db2.gz RGVKXJFLXCMAAH-HNNXBMFYSA-N 0 3 271.364 2.115 20 30 CEEDHN C=CCC[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285414418 344678537 /nfs/dbraw/zinc/67/85/37/344678537.db2.gz VECRBUOAGNGYEM-AWEZNQCLSA-N 0 3 278.352 2.396 20 30 CEEDHN CC[C@H]1CCCCN1CC(=O)N(CC)C[C@H](C)C#N ZINC000255441264 344646085 /nfs/dbraw/zinc/64/60/85/344646085.db2.gz VASFMSRUSNOZJZ-KGLIPLIRSA-N 0 3 265.401 2.259 20 30 CEEDHN Cc1ccccc1OC[C@@H](O)CNCc1cccc(C#N)c1 ZINC000314761301 344746532 /nfs/dbraw/zinc/74/65/32/344746532.db2.gz VMNWGYCTIGIWEM-KRWDZBQOSA-N 0 3 296.370 2.396 20 30 CEEDHN C[C@@H](C[C@@H]1CCCC(=O)N1)NCc1ccc(C#N)cc1F ZINC000602537344 347069671 /nfs/dbraw/zinc/06/96/71/347069671.db2.gz DKYWQABVHCFIBH-FZMZJTMJSA-N 0 3 289.354 2.234 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NCc1cccc(C#N)n1 ZINC000602523796 347066073 /nfs/dbraw/zinc/06/60/73/347066073.db2.gz IFEDQJLPQVSAAI-KGLIPLIRSA-N 0 3 272.396 2.163 20 30 CEEDHN C[C@H](CCC#N)CNCC(=O)N1CCCc2ccccc21 ZINC000602525963 347067180 /nfs/dbraw/zinc/06/71/80/347067180.db2.gz DAAJCLVAOLGPFM-CQSZACIVSA-N 0 3 285.391 2.495 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000339720588 344768417 /nfs/dbraw/zinc/76/84/17/344768417.db2.gz SAGASPHJZCVMPV-ZIAGYGMSSA-N 0 3 277.412 2.259 20 30 CEEDHN C=CCOCCCN1CCN(CC(F)F)[C@@H](CC)C1 ZINC000348022438 344776342 /nfs/dbraw/zinc/77/63/42/344776342.db2.gz ATRPGQDEBCYYTF-ZDUSSCGKSA-N 0 3 276.371 2.240 20 30 CEEDHN CN1CCC(O)(CNC(=O)C[C@H]2C=CCCC2)CC1 ZINC000330240119 530050657 /nfs/dbraw/zinc/05/06/57/530050657.db2.gz VUOFZYYPJIJHIK-ZDUSSCGKSA-N 0 3 266.385 2.146 20 30 CEEDHN CN1CCC[C@H]1CNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000356096874 530063494 /nfs/dbraw/zinc/06/34/94/530063494.db2.gz OFMIPUNSUHAFRP-HOTGVXAUSA-N 0 3 285.391 2.284 20 30 CEEDHN C[C@@](CO)(NCc1cccc(C#N)n1)C1CCCCC1 ZINC000602552154 347074087 /nfs/dbraw/zinc/07/40/87/347074087.db2.gz GFDDJXNUEKILND-INIZCTEOSA-N 0 3 273.380 2.374 20 30 CEEDHN C=CC[C@H](C)NCc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602553858 347074775 /nfs/dbraw/zinc/07/47/75/347074775.db2.gz XFQLNVARZKRCID-NSHDSACASA-N 0 3 279.384 2.430 20 30 CEEDHN CCc1cnc(CCNCc2cccc(C#N)n2)s1 ZINC000602559274 347077040 /nfs/dbraw/zinc/07/70/40/347077040.db2.gz GNGSAFVEVMPSTN-UHFFFAOYSA-N 0 3 272.377 2.304 20 30 CEEDHN C#C[C@H](CC)NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000491784934 344914489 /nfs/dbraw/zinc/91/44/89/344914489.db2.gz RKMSUPPRPZLJIW-PMPSAXMXSA-N 0 3 285.391 2.143 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)CCCCCC#N ZINC000588368444 345047678 /nfs/dbraw/zinc/04/76/78/345047678.db2.gz PJCFLTOXHZZRHT-AWEZNQCLSA-N 0 3 265.401 2.261 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000588746584 345053736 /nfs/dbraw/zinc/05/37/36/345053736.db2.gz XFFHRLQBFZSCEQ-GOEBONIOSA-N 0 3 292.427 2.196 20 30 CEEDHN N#Cc1cc(CN2CCCCC[C@H]2CCO)ccn1 ZINC000585754926 345013547 /nfs/dbraw/zinc/01/35/47/345013547.db2.gz RMFLSIFHMSGULC-HNNXBMFYSA-N 0 3 259.353 2.080 20 30 CEEDHN N#CC1(CC(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000590126196 345115747 /nfs/dbraw/zinc/11/57/47/345115747.db2.gz YRTRBRPXYMZTGU-UHFFFAOYSA-N 0 3 297.402 2.461 20 30 CEEDHN N#CCc1cccc(NC(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000590855055 345190142 /nfs/dbraw/zinc/19/01/42/345190142.db2.gz TYWJOCFINIVITA-INIZCTEOSA-N 0 3 298.390 2.358 20 30 CEEDHN CCN1C[C@H](N[C@H]2CCCc3cc(C#N)ccc32)CC1=O ZINC000590779359 345180226 /nfs/dbraw/zinc/18/02/26/345180226.db2.gz YZVWNWGGSUJOJW-ZBFHGGJFSA-N 0 3 283.375 2.146 20 30 CEEDHN C[C@@H](NC(=O)CC1(C#N)CC1)[C@@H](c1ccccc1)N(C)C ZINC000590329909 345129666 /nfs/dbraw/zinc/12/96/66/345129666.db2.gz ZXFHHLKALUQRLG-CJNGLKHVSA-N 0 3 285.391 2.488 20 30 CEEDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(CC#N)cc1 ZINC000590345005 345130446 /nfs/dbraw/zinc/13/04/46/345130446.db2.gz GNCOVNMPGFYGLQ-MRXNPFEDSA-N 0 3 285.391 2.309 20 30 CEEDHN N#CC1CN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000590481679 345138626 /nfs/dbraw/zinc/13/86/26/345138626.db2.gz OVONMZXVCHTFAF-UHFFFAOYSA-N 0 3 283.375 2.268 20 30 CEEDHN C[C@@H]1[C@H](O)CCN1Cc1cccc(OCCCC#N)c1 ZINC000590661480 345157232 /nfs/dbraw/zinc/15/72/32/345157232.db2.gz WHBZLXKKYBQBNC-CZUORRHYSA-N 0 3 274.364 2.324 20 30 CEEDHN CN(C)[C@@H](CC(=O)N1CC[C@](F)(C#N)C1)c1ccccc1 ZINC000591320323 345240004 /nfs/dbraw/zinc/24/00/04/345240004.db2.gz QZVBBEOLPALVEJ-HOCLYGCPSA-N 0 3 289.354 2.144 20 30 CEEDHN C[C@@H](CN(C)Cc1ccnc(C#N)c1)C(=O)OC(C)(C)C ZINC000590973317 345208714 /nfs/dbraw/zinc/20/87/14/345208714.db2.gz DAARUTOXTPNLHS-LBPRGKRZSA-N 0 3 289.379 2.363 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)CCCCCC#N ZINC000591525508 345263047 /nfs/dbraw/zinc/26/30/47/345263047.db2.gz ILJFVDZKPVLZKR-ZDUSSCGKSA-N 0 3 251.374 2.013 20 30 CEEDHN CC(C)COC[C@@H](O)CN[C@H]1CCc2cc(C#N)ccc21 ZINC000591763969 345278651 /nfs/dbraw/zinc/27/86/51/345278651.db2.gz UJXXGOWUCARPNU-RDJZCZTQSA-N 0 3 288.391 2.169 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000592135406 345327878 /nfs/dbraw/zinc/32/78/78/345327878.db2.gz KHSZUCDCEFJYBG-IHRRRGAJSA-N 0 3 283.412 2.223 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)CCC(C)(C)C ZINC000592145424 345328189 /nfs/dbraw/zinc/32/81/89/345328189.db2.gz ZJYHZFDQUXHAKZ-HNNXBMFYSA-N 0 3 267.417 2.409 20 30 CEEDHN C[C@H](CO)C1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000593085285 345435784 /nfs/dbraw/zinc/43/57/84/345435784.db2.gz TUZLNJADFLZBJJ-CQSZACIVSA-N 0 3 288.391 2.277 20 30 CEEDHN C[C@H](CCO)N(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000593109155 345441299 /nfs/dbraw/zinc/44/12/99/345441299.db2.gz VGBJFECJSATPNT-CYBMUJFWSA-N 0 3 298.390 2.161 20 30 CEEDHN CC[C@@H](C#N)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000593427709 345483429 /nfs/dbraw/zinc/48/34/29/345483429.db2.gz XZDNIICFZKHSTQ-AWEZNQCLSA-N 0 3 291.370 2.266 20 30 CEEDHN CN(CCN1CCCCC1)Cc1cnc2ccc(C#N)cn12 ZINC000593702269 345524664 /nfs/dbraw/zinc/52/46/64/345524664.db2.gz KWWIIBVNWZLTNG-UHFFFAOYSA-N 0 3 297.406 2.124 20 30 CEEDHN C[C@@H](C(=O)NCC1(C#N)CCCC1)N1[C@H](C)CC[C@H]1C ZINC000593778124 345536438 /nfs/dbraw/zinc/53/64/38/345536438.db2.gz LRGCLIBILDNQGB-MCIONIFRSA-N 0 3 277.412 2.448 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)Cc1ccc(C#N)cc1 ZINC000593884633 345548469 /nfs/dbraw/zinc/54/84/69/345548469.db2.gz URDYNJMUDCDDMZ-UHFFFAOYSA-N 0 3 285.391 2.045 20 30 CEEDHN CC[C@@H](NCc1ccc(C#N)cn1)[C@H]1CCCCO1 ZINC000594039664 345571423 /nfs/dbraw/zinc/57/14/23/345571423.db2.gz BKIHLPXDNYJKJY-HUUCEWRRSA-N 0 3 259.353 2.391 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@H]1CC1CCCC1 ZINC000594055041 345575479 /nfs/dbraw/zinc/57/54/79/345575479.db2.gz YAQNKGREJRMMIP-AWEZNQCLSA-N 0 3 293.411 2.043 20 30 CEEDHN Cc1cc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)ncc1C#N ZINC000594195964 345597080 /nfs/dbraw/zinc/59/70/80/345597080.db2.gz JLYKXPFMIOSBTK-ZBFHGGJFSA-N 0 3 298.390 2.008 20 30 CEEDHN C=CCSCCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594227286 345600939 /nfs/dbraw/zinc/60/09/39/345600939.db2.gz WNIAQHXCIFCKMP-KBPBESRZSA-N 0 3 297.468 2.222 20 30 CEEDHN CCC(C)(C)N1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000594246921 345603912 /nfs/dbraw/zinc/60/39/12/345603912.db2.gz BOHVHIJEUQKJEP-UHFFFAOYSA-N 0 3 280.416 2.052 20 30 CEEDHN CC(C)(CC#N)CNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594256802 345605934 /nfs/dbraw/zinc/60/59/34/345605934.db2.gz WLTXNYGMAGWVNA-ZIAGYGMSSA-N 0 3 292.427 2.242 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CCCCC#N ZINC000594281143 345607660 /nfs/dbraw/zinc/60/76/60/345607660.db2.gz BKXPOISEUHVLHQ-ZIAGYGMSSA-N 0 3 265.401 2.449 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)CCCCC#N ZINC000594287967 345608875 /nfs/dbraw/zinc/60/88/75/345608875.db2.gz DWQHMORRXNATTC-ZDUSSCGKSA-N 0 3 251.374 2.061 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)CCCCC#N)C1 ZINC000594347050 345614636 /nfs/dbraw/zinc/61/46/36/345614636.db2.gz ZVDPEDSWAYJSLU-UHFFFAOYSA-N 0 3 265.401 2.309 20 30 CEEDHN CCN1CCCC[C@H]1C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594404446 345622008 /nfs/dbraw/zinc/62/20/08/345622008.db2.gz GJYVXJKFTJCGQY-INIZCTEOSA-N 0 3 283.375 2.275 20 30 CEEDHN Cc1noc(CN(C)C(=O)C(C#N)CCc2ccccc2)n1 ZINC000594411834 345623028 /nfs/dbraw/zinc/62/30/28/345623028.db2.gz IPTKRJKFRFJQNO-CQSZACIVSA-N 0 3 298.346 2.109 20 30 CEEDHN CC(C#N)C(=O)N[C@H](Cc1ccccc1)c1ncco1 ZINC000594414655 345623855 /nfs/dbraw/zinc/62/38/55/345623855.db2.gz KIDVNKMVGZKDNC-WCQYABFASA-N 0 3 269.304 2.234 20 30 CEEDHN CC1CC(C#N)(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000594419758 345624627 /nfs/dbraw/zinc/62/46/27/345624627.db2.gz RCWUHRGFRVJHIZ-WJEHIRDRSA-N 0 3 275.396 2.059 20 30 CEEDHN CC(C)Cc1nnc(NC(=O)[C@H](N)CCCCC#N)s1 ZINC000594424545 345625741 /nfs/dbraw/zinc/62/57/41/345625741.db2.gz FQOBCMKMKXPGRL-SNVBAGLBSA-N 0 3 295.412 2.086 20 30 CEEDHN CC(C)CCn1nccc1NC(=O)[C@H](N)CCCCC#N ZINC000594425807 345625981 /nfs/dbraw/zinc/62/59/81/345625981.db2.gz AMRDZBMKGOGSEW-CYBMUJFWSA-N 0 3 291.399 2.279 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCSc1ccccc1 ZINC000594426433 345626438 /nfs/dbraw/zinc/62/64/38/345626438.db2.gz QXZIJEXUDDMTOB-CQSZACIVSA-N 0 3 291.420 2.306 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCCc2ccccc21 ZINC000594426607 345626469 /nfs/dbraw/zinc/62/64/69/345626469.db2.gz PVQLNERSGQTEIC-CQSZACIVSA-N 0 3 271.364 2.377 20 30 CEEDHN N#CCCCCC(=O)Nc1ccc2c(c1)CNCC2 ZINC000594427901 345627111 /nfs/dbraw/zinc/62/71/11/345627111.db2.gz WZYBKXWMNSUING-UHFFFAOYSA-N 0 3 257.337 2.355 20 30 CEEDHN Cc1nc2cc(NC(=O)[C@H](N)CCCCC#N)ccc2[nH]1 ZINC000594429097 345627768 /nfs/dbraw/zinc/62/77/68/345627768.db2.gz QTCCEMVWVDWOOY-GFCCVEGCSA-N 0 3 285.351 2.221 20 30 CEEDHN Cc1nc2ccc(NC(=O)[C@H](N)CCCCC#N)cc2[nH]1 ZINC000594429097 345627770 /nfs/dbraw/zinc/62/77/70/345627770.db2.gz QTCCEMVWVDWOOY-GFCCVEGCSA-N 0 3 285.351 2.221 20 30 CEEDHN Cc1cccc2c1CCN2C(=O)[C@H](N)CCCCC#N ZINC000594432007 345628740 /nfs/dbraw/zinc/62/87/40/345628740.db2.gz UYAOQGGMYKGKDR-CQSZACIVSA-N 0 3 271.364 2.295 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1cc(F)cc(F)c1 ZINC000594430262 345628746 /nfs/dbraw/zinc/62/87/46/345628746.db2.gz YBAJNLZCJHFQSA-LBPRGKRZSA-N 0 3 267.279 2.315 20 30 CEEDHN CC(C)(C)c1ncc(NC(=O)[C@@H](N)CCCCC#N)cn1 ZINC000594431019 345628758 /nfs/dbraw/zinc/62/87/58/345628758.db2.gz FUNJKIYEYJUPPE-LBPRGKRZSA-N 0 3 289.383 2.124 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@H](N)CCCCC#N ZINC000594430169 345628835 /nfs/dbraw/zinc/62/88/35/345628835.db2.gz ZRJQZWZEHMGYQY-KFWWJZLASA-N 0 3 295.427 2.109 20 30 CEEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCCC#N)c2ccccc2O1 ZINC000594433125 345629117 /nfs/dbraw/zinc/62/91/17/345629117.db2.gz CBESNTWFKYXDIU-CHWSQXEVSA-N 0 3 287.363 2.212 20 30 CEEDHN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594433882 345629332 /nfs/dbraw/zinc/62/93/32/345629332.db2.gz IOALBAOJZARAAE-UHOFOFEASA-N 0 3 285.391 2.447 20 30 CEEDHN CCC[C@@H]1CCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594433776 345629387 /nfs/dbraw/zinc/62/93/87/345629387.db2.gz SJBUUQGGJJETPY-ZIAGYGMSSA-N 0 3 265.401 2.436 20 30 CEEDHN C[C@@H](CN(C)C(=O)[C@@H](N)CCCCC#N)c1nccs1 ZINC000594436379 345629856 /nfs/dbraw/zinc/62/98/56/345629856.db2.gz HQKHWEMBVUSVJC-RYUDHWBXSA-N 0 3 294.424 2.116 20 30 CEEDHN Cc1csc([C@@H](C)NC(=O)[C@H](N)CCCCC#N)n1 ZINC000594437467 345630656 /nfs/dbraw/zinc/63/06/56/345630656.db2.gz JVBBNCJBRRHBRI-GHMZBOCLSA-N 0 3 280.397 2.040 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1c1cccnc1 ZINC000594438123 345630854 /nfs/dbraw/zinc/63/08/54/345630854.db2.gz GWNJWELBHONIJR-GJZGRUSLSA-N 0 3 286.379 2.156 20 30 CEEDHN CC(C)N(Cc1ccccn1)C(=O)[C@@H](N)CCCCC#N ZINC000594440928 345631234 /nfs/dbraw/zinc/63/12/34/345631234.db2.gz JLJQCCITEJOGRB-HNNXBMFYSA-N 0 3 288.395 2.230 20 30 CEEDHN CC[C@]1(C)CCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594441922 345631252 /nfs/dbraw/zinc/63/12/52/345631252.db2.gz AIDQYBHOWLYIGF-UKRRQHHQSA-N 0 3 265.401 2.436 20 30 CEEDHN C[C@H](C[S@@](C)=O)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594502126 345639229 /nfs/dbraw/zinc/63/92/29/345639229.db2.gz XIDGXJDROZREPS-CWTRNNRKSA-N 0 3 278.421 2.344 20 30 CEEDHN CC(C)(C)[C@@H](N)c1cn(CC2(C#N)CCCC2)nn1 ZINC000594656535 345668024 /nfs/dbraw/zinc/66/80/24/345668024.db2.gz XANVXMZOBOUZDY-LBPRGKRZSA-N 0 3 261.373 2.408 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC/C=C/CO ZINC000595068510 345738796 /nfs/dbraw/zinc/73/87/96/345738796.db2.gz IFBYSQAWVHNXJK-QDLOVBKTSA-N 0 3 256.349 2.464 20 30 CEEDHN C[C@H]1C[C@@H](NC2CCC(C)(C#N)CC2)c2ncnn21 ZINC000595074118 345740178 /nfs/dbraw/zinc/74/01/78/345740178.db2.gz TYVJMTJUWGLFJG-WDBLDGLGSA-N 0 3 259.357 2.346 20 30 CEEDHN N#CCC1(CNCc2ccnn2-c2ccncc2)CC1 ZINC000594935005 345708104 /nfs/dbraw/zinc/70/81/04/345708104.db2.gz AWITUCLMKHPXJT-UHFFFAOYSA-N 0 3 267.336 2.051 20 30 CEEDHN C[C@H](C[S@](C)=O)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594943802 345711949 /nfs/dbraw/zinc/71/19/49/345711949.db2.gz QDKAUOQNWCEXFJ-BLVKFPJESA-N 0 3 276.405 2.098 20 30 CEEDHN C[S@](=O)[C@@H]1CCC[C@H](NCc2cc(C#N)cs2)C1 ZINC000594961087 345717144 /nfs/dbraw/zinc/71/71/44/345717144.db2.gz LEDPGKRJKHJHKR-SRBZOADZSA-N 0 3 282.434 2.399 20 30 CEEDHN N#Cc1ccc(CNC/C=C\CO)c(C(F)(F)F)c1 ZINC000594973085 345720437 /nfs/dbraw/zinc/72/04/37/345720437.db2.gz CQZJHDQRMIYYAJ-UPHRSURJSA-N 0 3 270.254 2.215 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)NCC1(CC#N)CC1 ZINC000595593641 345820528 /nfs/dbraw/zinc/82/05/28/345820528.db2.gz RWFXAKHCQMPCKZ-AWEZNQCLSA-N 0 3 292.427 2.100 20 30 CEEDHN CC[C@H](C)N(CC)CC(=O)NC1(C#N)CCCCC1 ZINC000595593666 345820677 /nfs/dbraw/zinc/82/06/77/345820677.db2.gz SGJPEKYXJYMVMA-ZDUSSCGKSA-N 0 3 265.401 2.449 20 30 CEEDHN CC(C)(CC(N)=O)NCc1ccc(C#N)cc1C(F)(F)F ZINC000595432371 345781711 /nfs/dbraw/zinc/78/17/11/345781711.db2.gz KZIUHHPMZXPEEE-UHFFFAOYSA-N 0 3 299.296 2.321 20 30 CEEDHN N#Cc1cccc(N2CCN(CCC3CCC3)CC2)n1 ZINC000595435592 345781875 /nfs/dbraw/zinc/78/18/75/345781875.db2.gz RDQYNQSXCWMXSM-UHFFFAOYSA-N 0 3 270.380 2.265 20 30 CEEDHN C[C@H](CNC(=O)N1CC[C@@](C)(C#N)C1)N1CCCC[C@H]1C ZINC000595450014 345785196 /nfs/dbraw/zinc/78/51/96/345785196.db2.gz SREJDDPRFAJYJX-FMKPAKJESA-N 0 3 292.427 2.194 20 30 CEEDHN C=C(C)CCN[C@@](C)(CC(=O)OC)c1ccncc1 ZINC000595487491 345793658 /nfs/dbraw/zinc/79/36/58/345793658.db2.gz TWGWKKNGAHKLJP-HNNXBMFYSA-N 0 3 262.353 2.416 20 30 CEEDHN Cc1cc(CN2C[C@@H](C)[C@H](O)[C@@H](C)C2)ccc1C#N ZINC000595734011 345862422 /nfs/dbraw/zinc/86/24/22/345862422.db2.gz SSAGNEMGITWVJW-VIKVFOODSA-N 0 3 258.365 2.315 20 30 CEEDHN N#CC[C@@H]1CCCN(C[C@@H](O)COc2ccccc2)C1 ZINC000595609215 345826242 /nfs/dbraw/zinc/82/62/42/345826242.db2.gz HXTFKIHAIFNLGC-LSDHHAIUSA-N 0 3 274.364 2.052 20 30 CEEDHN N#CC[C@H]1CCCN(CCC(=O)N2CCCCC2)C1 ZINC000595612634 345827052 /nfs/dbraw/zinc/82/70/52/345827052.db2.gz YWIFTJCLQSSCQY-CQSZACIVSA-N 0 3 263.385 2.015 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccc(C#N)cc1 ZINC000595845448 345897252 /nfs/dbraw/zinc/89/72/52/345897252.db2.gz ODNYZNZEGZKEJP-CALCHBBNSA-N 0 3 295.386 2.357 20 30 CEEDHN N#CCc1ccc(CN2CC[C@H](CN3CCCC3=O)C2)cc1 ZINC000595830021 345888707 /nfs/dbraw/zinc/88/87/07/345888707.db2.gz SPNPWBUWAZOIJP-KRWDZBQOSA-N 0 3 297.402 2.197 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@](O)(C3CC3)C2)cc1F ZINC000595752218 345866549 /nfs/dbraw/zinc/86/65/49/345866549.db2.gz TZJNBQNUNAXNOM-MRXNPFEDSA-N 0 3 274.339 2.434 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 ZINC000602581912 347087925 /nfs/dbraw/zinc/08/79/25/347087925.db2.gz UBDVEEHMGFUFJL-ZNMIVQPWSA-N 0 3 269.348 2.000 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC[C@H]1CCCC12CC2 ZINC000602581829 347087933 /nfs/dbraw/zinc/08/79/33/347087933.db2.gz KARWJWULYUTNAS-OLZOCXBDSA-N 0 3 263.385 2.094 20 30 CEEDHN N#CCCOCCNC1(c2cccc(C#N)c2)CCOCC1 ZINC000595769416 345872144 /nfs/dbraw/zinc/87/21/44/345872144.db2.gz RHMJSHSISXLZNH-UHFFFAOYSA-N 0 3 299.374 2.084 20 30 CEEDHN N#Cc1cc(CN[C@@H]2C[C@@H](O)C23CCC3)ccc1F ZINC000595781569 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ZINC000595979491 345920495 /nfs/dbraw/zinc/92/04/95/345920495.db2.gz ANJWRABCLPQHMU-PBHICJAKSA-N 0 3 285.391 2.475 20 30 CEEDHN C[C@H]1CN(C)CC[C@H]1N(C)c1nc2ncccc2cc1C#N ZINC000596152760 345953183 /nfs/dbraw/zinc/95/31/83/345953183.db2.gz RDVMJFJQFGYGHX-SWLSCSKDSA-N 0 3 295.390 2.278 20 30 CEEDHN CN(C[C@H]1CCCN1C)c1nc2ncccc2cc1C#N ZINC000596278522 345989538 /nfs/dbraw/zinc/98/95/38/345989538.db2.gz OENQNKZAQUHDAP-CQSZACIVSA-N 0 3 281.363 2.032 20 30 CEEDHN N#Cc1cc(NC[C@@H]2CCN2Cc2ccccc2)ccn1 ZINC000596556338 346054161 /nfs/dbraw/zinc/05/41/61/346054161.db2.gz AZZUSHHGZSYQMZ-KRWDZBQOSA-N 0 3 278.359 2.062 20 30 CEEDHN N#CC1(c2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000596979879 346112140 /nfs/dbraw/zinc/11/21/40/346112140.db2.gz JMUBBQACMOEYDZ-UHFFFAOYSA-N 0 3 256.349 2.198 20 30 CEEDHN N#CC1(c2ccc(CN3CCCOCC3)cc2)CC1 ZINC000596987361 346112951 /nfs/dbraw/zinc/11/29/51/346112951.db2.gz DFECCVUSEBZAHJ-UHFFFAOYSA-N 0 3 256.349 2.464 20 30 CEEDHN COC(=O)[C@H]1C[C@H](NCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597243279 346159795 /nfs/dbraw/zinc/15/97/95/346159795.db2.gz FXDRQJLSMBEMMA-CTYIDZIISA-N 0 3 284.359 2.283 20 30 CEEDHN C[C@H](CC#N)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000597245078 346160412 /nfs/dbraw/zinc/16/04/12/346160412.db2.gz FRDJOCUWZSFCBT-GDBMZVCRSA-N 0 3 285.391 2.317 20 30 CEEDHN CC[C@H]1CN(C)CCCN1C(=O)CCCCCC#N ZINC000597603425 346206648 /nfs/dbraw/zinc/20/66/48/346206648.db2.gz BQRWCIDJIVEZQC-AWEZNQCLSA-N 0 3 265.401 2.403 20 30 CEEDHN C[C@H](CC#N)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000597763499 346228481 /nfs/dbraw/zinc/22/84/81/346228481.db2.gz HCQAWTQBMHXBLY-GFCCVEGCSA-N 0 3 279.409 2.188 20 30 CEEDHN CCN1CCCC[C@H]1C(=O)NCCc1ccc(C#N)cc1 ZINC000597892612 346247169 /nfs/dbraw/zinc/24/71/69/346247169.db2.gz YBPPQBVFDDVQEA-INIZCTEOSA-N 0 3 285.391 2.091 20 30 CEEDHN COCC1(N(C)C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000597940697 346255455 /nfs/dbraw/zinc/25/54/55/346255455.db2.gz NHOBCDHJNVDHFN-OAHLLOKOSA-N 0 3 286.375 2.396 20 30 CEEDHN CN(C)[C@H](CNCc1cccc(C#N)n1)c1cccs1 ZINC000602585190 347089453 /nfs/dbraw/zinc/08/94/53/347089453.db2.gz CLPYDEXBGRPGKQ-CQSZACIVSA-N 0 3 286.404 2.407 20 30 CEEDHN N#CCC1CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000598022995 346268342 /nfs/dbraw/zinc/26/83/42/346268342.db2.gz MUALALZFNMSJIJ-OAHLLOKOSA-N 0 3 267.332 2.131 20 30 CEEDHN CCCN1CC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000598343422 346331789 /nfs/dbraw/zinc/33/17/89/346331789.db2.gz USEOJCLJGWQLID-XJKSGUPXSA-N 0 3 275.396 2.061 20 30 CEEDHN CN(C)Cc1cccc(C(=O)N2CC[C@@](C)(C#N)C2)c1 ZINC000598407530 346347757 /nfs/dbraw/zinc/34/77/57/346347757.db2.gz CSLRTGYOQFWGAD-INIZCTEOSA-N 0 3 271.364 2.124 20 30 CEEDHN CCC(C#N)C(=O)NCC1(C(=O)OC(C)(C)C)CCC1 ZINC000598500374 346366362 /nfs/dbraw/zinc/36/63/62/346366362.db2.gz UHAREHCKEXZXHL-NSHDSACASA-N 0 3 280.368 2.164 20 30 CEEDHN Cc1occc1CN(C)C[C@H](O)CC(C)(C)C#N ZINC000598587039 346377737 /nfs/dbraw/zinc/37/77/37/346377737.db2.gz MEMPYVCDNZQZBH-CYBMUJFWSA-N 0 3 250.342 2.321 20 30 CEEDHN Cc1cc([C@@H]2CCCN2C[C@H](O)CC(C)(C)C#N)on1 ZINC000598586000 346377948 /nfs/dbraw/zinc/37/79/48/346377948.db2.gz NAFLFLZOZTZAMI-OLZOCXBDSA-N 0 3 277.368 2.421 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN(CCCO)Cc1ccccc1 ZINC000598593136 346380301 /nfs/dbraw/zinc/38/03/01/346380301.db2.gz QQPPPKRZQITJCB-MRXNPFEDSA-N 0 3 290.407 2.172 20 30 CEEDHN C[C@@H]1SCCN(C[C@@H](O)CC(C)(C)C#N)[C@H]1C ZINC000598594015 346380638 /nfs/dbraw/zinc/38/06/38/346380638.db2.gz XQYOVIAVHICEHD-SRVKXCTJSA-N 0 3 256.415 2.113 20 30 CEEDHN Cc1ccncc1[C@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598601476 346382194 /nfs/dbraw/zinc/38/21/94/346382194.db2.gz FTMKNIXOBYMLBF-QWHCGFSZSA-N 0 3 261.369 2.341 20 30 CEEDHN C[C@H](CN(C)C[C@H](O)CC(C)(C)C#N)c1nccs1 ZINC000598612666 346383918 /nfs/dbraw/zinc/38/39/18/346383918.db2.gz QXHCAVZKUFLXTG-VXGBXAGGSA-N 0 3 281.425 2.479 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H](OC2CCC2)C1 ZINC000598624025 346387299 /nfs/dbraw/zinc/38/72/99/346387299.db2.gz VQGVYHJLMWIQBS-UKRRQHHQSA-N 0 3 280.412 2.321 20 30 CEEDHN COc1ccc(CNC[C@H](O)CC(C)(C)C#N)c(OC)c1 ZINC000598715900 346406473 /nfs/dbraw/zinc/40/64/73/346406473.db2.gz URPLSJCBRTVSEG-CYBMUJFWSA-N 0 3 292.379 2.094 20 30 CEEDHN CC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccncc1 ZINC000598719787 346407388 /nfs/dbraw/zinc/40/73/88/346407388.db2.gz LKJXBOFGLBDGBT-KBPBESRZSA-N 0 3 261.369 2.423 20 30 CEEDHN Cc1cc(CN2CC[C@H](C)[C@@H](CO)C2)ccc1C#N ZINC000598647529 346392278 /nfs/dbraw/zinc/39/22/78/346392278.db2.gz OIVLJLPIUMVZKC-BLLLJJGKSA-N 0 3 258.365 2.317 20 30 CEEDHN C[C@H](CCC#N)CN1CCN(Cc2cccnc2)CC1 ZINC000602591806 347091448 /nfs/dbraw/zinc/09/14/48/347091448.db2.gz NASFMGHDBGQRQT-OAHLLOKOSA-N 0 3 272.396 2.139 20 30 CEEDHN CN(CCN[C@H]1CCc2ccc(C#N)cc21)CC(F)F ZINC000599095466 346459769 /nfs/dbraw/zinc/45/97/69/346459769.db2.gz VXFNPNKMHWCKGY-AWEZNQCLSA-N 0 3 279.334 2.332 20 30 CEEDHN Cc1nsc(NC[C@H]2CCCCN(C)C2)c1C#N ZINC000599140317 346466466 /nfs/dbraw/zinc/46/64/66/346466466.db2.gz UQTKKYIERBHOOT-LLVKDONJSA-N 0 3 264.398 2.467 20 30 CEEDHN CN(C(=O)c1ccc2c(c1)CNC2)[C@@H]1CCC[C@H]1C#N ZINC000602597402 347094211 /nfs/dbraw/zinc/09/42/11/347094211.db2.gz BRXPXDHAEXDOIB-SWLSCSKDSA-N 0 3 269.348 2.054 20 30 CEEDHN CC[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1c(C)nn(C)c1C ZINC000599358531 346506382 /nfs/dbraw/zinc/50/63/82/346506382.db2.gz DJPLBAOSFJFAKK-UONOGXRCSA-N 0 3 290.411 2.132 20 30 CEEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)CC(=O)OCC ZINC000599391249 346512405 /nfs/dbraw/zinc/51/24/05/346512405.db2.gz IRZLWWQTPKDOGA-INIZCTEOSA-N 0 3 291.391 2.379 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccnn1CC1CCC1 ZINC000602601918 347095503 /nfs/dbraw/zinc/09/55/03/347095503.db2.gz MPRDVCGSUOMFKG-CYBMUJFWSA-N 0 3 289.383 2.033 20 30 CEEDHN CC(=O)NCC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599270354 346488171 /nfs/dbraw/zinc/48/81/71/346488171.db2.gz HKWMFUAEALWIHJ-UHFFFAOYSA-N 0 3 285.391 2.215 20 30 CEEDHN C[C@@H](CC1CCC1)NC(=O)[C@@H](N)CCCCC#N ZINC000602603012 347096213 /nfs/dbraw/zinc/09/62/13/347096213.db2.gz PQZZZDCCZBHUQS-AAEUAGOBSA-N 0 3 251.374 2.093 20 30 CEEDHN N#Cc1ccccc1OC[C@H](O)CN1C[C@@H]2CCCC[C@@H]21 ZINC000599453829 346522928 /nfs/dbraw/zinc/52/29/28/346522928.db2.gz BYGMGIBPXMISQX-XHSDSOJGSA-N 0 3 286.375 2.172 20 30 CEEDHN Cc1ccc(CN2C[C@@H](C)C(O)[C@H](C)C2)cc1C#N ZINC000599471061 346526041 /nfs/dbraw/zinc/52/60/41/346526041.db2.gz XXDSCOLAFHKHSE-CHWSQXEVSA-N 0 3 258.365 2.315 20 30 CEEDHN CC(=O)NC[C@@H]1CCCCN1CCCC(C)(C)C#N ZINC000599705526 346572681 /nfs/dbraw/zinc/57/26/81/346572681.db2.gz WXERIVYTXABFCY-AWEZNQCLSA-N 0 3 265.401 2.307 20 30 CEEDHN N#CC1(C[C@H](O)CNCc2ccc3ccccc3n2)CC1 ZINC000600715233 346676532 /nfs/dbraw/zinc/67/65/32/346676532.db2.gz ALMKICIOGVVWOF-HNNXBMFYSA-N 0 3 281.359 2.379 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@@H]2CCOc3ccc(F)cc32)CC1 ZINC000600722522 346678311 /nfs/dbraw/zinc/67/83/11/346678311.db2.gz QWAFJBBAJLECGV-GXTWGEPZSA-N 0 3 290.338 2.294 20 30 CEEDHN Cc1ccc2c(c1)[C@H](NC[C@@H](O)CC1(C#N)CC1)CO2 ZINC000600728662 346679438 /nfs/dbraw/zinc/67/94/38/346679438.db2.gz ASCQDXGEHSTUON-GXTWGEPZSA-N 0 3 272.348 2.073 20 30 CEEDHN N#Cc1ccc(-c2ccc(N3CCNCC3)nc2)s1 ZINC000600774577 346687600 /nfs/dbraw/zinc/68/76/00/346687600.db2.gz FWASJUFTDQFWMR-UHFFFAOYSA-N 0 3 270.361 2.091 20 30 CEEDHN N#Cc1cc(N[C@@H]2CCCN3CCCC[C@@H]23)nc(C2CC2)n1 ZINC000601188801 346781089 /nfs/dbraw/zinc/78/10/89/346781089.db2.gz AZPRHZDGAKPNNF-CABCVRRESA-N 0 3 297.406 2.076 20 30 CEEDHN CC[C@H](C)N1CCN(c2cc(C#N)nc(C3CC3)n2)CC1 ZINC000601171918 346777284 /nfs/dbraw/zinc/77/72/84/346777284.db2.gz ROHNPLDVLMYUTB-LBPRGKRZSA-N 0 3 285.395 2.146 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccccc1CC#N ZINC000601180500 346779238 /nfs/dbraw/zinc/77/92/38/346779238.db2.gz QDDWFVVMSTXNSJ-AWEZNQCLSA-N 0 3 285.391 2.166 20 30 CEEDHN CC(C)N1CC[C@H](Nc2ncc(C#N)c3ccsc32)C1 ZINC000601109079 346755013 /nfs/dbraw/zinc/75/50/13/346755013.db2.gz RMDAUYUSRLKSDB-LBPRGKRZSA-N 0 3 286.404 2.484 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1cscc1Cl ZINC000602625540 347109724 /nfs/dbraw/zinc/10/97/24/347109724.db2.gz RTXAVXUGRKBRAX-MRVPVSSYSA-N 0 3 257.746 2.361 20 30 CEEDHN COc1cnccc1N1CCN(C[C@@H](C)CCC#N)CC1 ZINC000602644919 347121205 /nfs/dbraw/zinc/12/12/05/347121205.db2.gz PGWCDMKQACWVIH-AWEZNQCLSA-N 0 3 288.395 2.152 20 30 CEEDHN CO[C@@H]1C[C@@H](N(C)Cc2cccc(C#N)n2)C12CCC2 ZINC000602680216 347141030 /nfs/dbraw/zinc/14/10/30/347141030.db2.gz KCJFXVSQVGYTHV-HUUCEWRRSA-N 0 3 271.364 2.343 20 30 CEEDHN CO[C@@H]1C[C@H](NCc2cccc(C#N)n2)C12CCC2 ZINC000602686796 347146040 /nfs/dbraw/zinc/14/60/40/347146040.db2.gz DZKVHYWZCWKJGE-UONOGXRCSA-N 0 3 257.337 2.000 20 30 CEEDHN C[C@H](C[C@H]1CCCC(=O)N1)NCC1(C#N)CCCCC1 ZINC000602719351 347168981 /nfs/dbraw/zinc/16/89/81/347168981.db2.gz PCDGFOGXZHXQGW-ZIAGYGMSSA-N 0 3 277.412 2.497 20 30 CEEDHN CC(C)OC(=O)C[C@@H](NCc1cccc(C#N)n1)C(C)C ZINC000602707148 347161306 /nfs/dbraw/zinc/16/13/06/347161306.db2.gz CXKQDYMWOAPDIE-OAHLLOKOSA-N 0 3 289.379 2.409 20 30 CEEDHN Cc1cc(CN(CCN(C)C)Cc2ccc(C#N)cc2)on1 ZINC000602660172 347128618 /nfs/dbraw/zinc/12/86/18/347128618.db2.gz ZRQJNTOIKQBJLE-UHFFFAOYSA-N 0 3 298.390 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CEEDHN CC(C)C[C@H]1CCCN1CC(=O)N(CCC#N)CCC#N ZINC000130210235 365932774 /nfs/dbraw/zinc/93/27/74/365932774.db2.gz MTTZRJBLYVMHIN-OAHLLOKOSA-N 0 3 290.411 2.153 20 30 CEEDHN CCc1nocc1CNCCc1cccc(C#N)c1 ZINC000339387972 215139328 /nfs/dbraw/zinc/13/93/28/215139328.db2.gz SNIRMBYIJINZMI-UHFFFAOYSA-N 0 3 255.321 2.441 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC(OCCCO)CC1 ZINC000614402872 348193628 /nfs/dbraw/zinc/19/36/28/348193628.db2.gz VVHNMZSFWHIOOP-UHFFFAOYSA-N 0 3 288.391 2.230 20 30 CEEDHN CCCCCN(CC(=O)NCC#N)[C@@H](C)CCC ZINC000066496698 362869104 /nfs/dbraw/zinc/86/91/04/362869104.db2.gz ZXFMYBGGHNEGPO-ZDUSSCGKSA-N 0 3 253.390 2.307 20 30 CEEDHN N#CC1(NC(=O)CN(C2CC2)C2CCCCC2)CCC1 ZINC000615223679 348301405 /nfs/dbraw/zinc/30/14/05/348301405.db2.gz IMNNCSVZJCCROL-UHFFFAOYSA-N 0 3 275.396 2.346 20 30 CEEDHN C=CCC(CC=C)C(=O)N(CC)[C@H]1CCN(C)C1 ZINC000617553456 348729815 /nfs/dbraw/zinc/72/98/15/348729815.db2.gz IXXANSXBDSOPLX-AWEZNQCLSA-N 0 3 250.386 2.307 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(CC)[C@@H]1CCN(CC)C1)OCC ZINC000617927263 348826791 /nfs/dbraw/zinc/82/67/91/348826791.db2.gz UKEMNJJDZSRWCN-CABCVRRESA-N 0 3 282.428 2.300 20 30 CEEDHN Cc1nnc(CCNCc2ccc(C#N)c(F)c2)s1 ZINC000404064708 233193096 /nfs/dbraw/zinc/19/30/96/233193096.db2.gz JGSOPWXBBDHCCW-UHFFFAOYSA-N 0 3 276.340 2.190 20 30 CEEDHN CC(C#N)C(=O)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000619674896 349215899 /nfs/dbraw/zinc/21/58/99/349215899.db2.gz UWOFFLYKRHGOGE-ZWUHOBOKSA-N 0 3 276.380 2.342 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000623708763 350087614 /nfs/dbraw/zinc/08/76/14/350087614.db2.gz UNZPBOHSZIJOPJ-CABCVRRESA-N 0 3 279.428 2.468 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000623726980 350093782 /nfs/dbraw/zinc/09/37/82/350093782.db2.gz IJOQJQLQUDUWPS-MCIONIFRSA-N 0 3 265.401 2.077 20 30 CEEDHN C#CCOc1ccccc1CN1CCC[C@@H](OC)C1 ZINC000091772669 180248934 /nfs/dbraw/zinc/24/89/34/180248934.db2.gz OCMRRAKNKDHWDO-OAHLLOKOSA-N 0 3 259.349 2.309 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CEEDHN CCN(Cc1ccc(C#N)cc1OC(F)F)C[C@H](C)O ZINC000352223405 219370353 /nfs/dbraw/zinc/37/03/53/219370353.db2.gz VVVWQIBBKYOVKW-JTQLQIEISA-N 0 3 284.306 2.362 20 30 CEEDHN C[C@@H](O)CN(C)Cc1cccc(OCCCC#N)c1 ZINC000130754321 365987282 /nfs/dbraw/zinc/98/72/82/365987282.db2.gz JHASDVCKMBCWJK-CYBMUJFWSA-N 0 3 262.353 2.182 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC(CC)(CC)C2)C1=O ZINC000337171484 366050949 /nfs/dbraw/zinc/05/09/49/366050949.db2.gz FXANLEXGYNVAAY-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCN1CC[C@H](N2CCCCC(C)(C)C2)C1=O ZINC000337213921 366080062 /nfs/dbraw/zinc/08/00/62/366080062.db2.gz WVYQUMMLBUHSGV-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN Cc1nc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)ccc1C#N ZINC000291959214 198118213 /nfs/dbraw/zinc/11/82/13/198118213.db2.gz OBEFWTCWWGKVJW-ZWNOBZJWSA-N 0 3 256.353 2.299 20 30 CEEDHN C=CCOc1ccccc1CNCC[C@@H](O)C(F)F ZINC000631218125 352022829 /nfs/dbraw/zinc/02/28/29/352022829.db2.gz ALICSGTXNMUTRE-GFCCVEGCSA-N 0 3 271.307 2.357 20 30 CEEDHN C=CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665120 363155744 /nfs/dbraw/zinc/15/57/44/363155744.db2.gz DEHGIGMUOCFVLP-NSHDSACASA-N 0 3 262.313 2.052 20 30 CEEDHN C[C@@H](CCC1CC1)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000345734614 295849552 /nfs/dbraw/zinc/84/95/52/295849552.db2.gz AJQXORXHSSRTET-NHYWBVRUSA-N 0 3 271.364 2.253 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(C#N)cc2)CCN1C ZINC000336446701 213312437 /nfs/dbraw/zinc/31/24/37/213312437.db2.gz AILOSUUWLMLZTH-FZMZJTMJSA-N 0 3 272.352 2.162 20 30 CEEDHN CC#CCN1CCC(C(=O)Nc2ccccc2)CC1 ZINC000157577538 188325526 /nfs/dbraw/zinc/32/55/26/188325526.db2.gz SEIYWGFQAWFZTB-UHFFFAOYSA-N 0 3 256.349 2.360 20 30 CEEDHN C#CC[C@H](NC[C@H](O)COC(C)C)c1ccccc1 ZINC000271688720 191277549 /nfs/dbraw/zinc/27/75/49/191277549.db2.gz JYTZTSVSBXHSAO-HOTGVXAUSA-N 0 3 261.365 2.127 20 30 CEEDHN CN1CCC(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000073455049 363221176 /nfs/dbraw/zinc/22/11/76/363221176.db2.gz OSBIRBQJAVSUPU-AWEZNQCLSA-N 0 3 291.782 2.363 20 30 CEEDHN CCC[C@@H](C)C(=O)NCCNCc1cccc(C#N)c1 ZINC000292703289 198381546 /nfs/dbraw/zinc/38/15/46/198381546.db2.gz OFZDUHLOLZKNRJ-CYBMUJFWSA-N 0 3 273.380 2.200 20 30 CEEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@H]3CCC=CO3)C2)nc1 ZINC000292740953 198395734 /nfs/dbraw/zinc/39/57/34/198395734.db2.gz HLCGSHHMFJTIBC-HUUCEWRRSA-N 0 3 285.347 2.099 20 30 CEEDHN CCC(C)(C)N(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000074320250 363324517 /nfs/dbraw/zinc/32/45/17/363324517.db2.gz MIQMPKPGMBUHEG-CQSZACIVSA-N 0 3 253.390 2.161 20 30 CEEDHN C[C@H]1CCCCN1CCNc1nccc(C#N)c1[N+](=O)[O-] ZINC000133143140 366198554 /nfs/dbraw/zinc/19/85/54/366198554.db2.gz KCNYSGQSUJWGPN-NSHDSACASA-N 0 3 289.339 2.148 20 30 CEEDHN C#CC[C@H](NC(=O)NCC1=CCN(C)CC1)c1ccccc1 ZINC000271883681 191387640 /nfs/dbraw/zinc/38/76/40/191387640.db2.gz LYFUZQFSMAOCHL-KRWDZBQOSA-N 0 3 297.402 2.312 20 30 CEEDHN N#Cc1ccc(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)o1 ZINC000373536964 283142691 /nfs/dbraw/zinc/14/26/91/283142691.db2.gz YPUNQYAZWPSZNV-QGZVFWFLSA-N 0 3 293.326 2.247 20 30 CEEDHN Cc1cc(CN(C)CCCc2[nH]nc(N)c2C#N)cs1 ZINC000570105187 299239640 /nfs/dbraw/zinc/23/96/40/299239640.db2.gz XDHHTADAVFFBBA-UHFFFAOYSA-N 0 3 289.408 2.128 20 30 CEEDHN CC1CCC(N(C)CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000078955348 363559650 /nfs/dbraw/zinc/55/96/50/363559650.db2.gz GRZPJPKURASNKZ-LDZOIKDWSA-N 0 3 277.412 2.305 20 30 CEEDHN C[C@@H](N(C)Cc1cnc2c(C#N)cnn2c1)C(C)(C)C ZINC000575923444 366374710 /nfs/dbraw/zinc/37/47/10/366374710.db2.gz NAOWZDXYDHNQLS-LLVKDONJSA-N 0 3 271.368 2.467 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](OC)C2CCCC2)CC1 ZINC000668370207 538894054 /nfs/dbraw/zinc/89/40/54/538894054.db2.gz QGBKNUQNNKIGTC-INIZCTEOSA-N 0 3 294.439 2.348 20 30 CEEDHN N#Cc1ccc(CN2CCN(C3CCC3)CC2)cc1F ZINC000336219452 213044903 /nfs/dbraw/zinc/04/49/03/213044903.db2.gz YYAMEUHVXHPYML-UHFFFAOYSA-N 0 3 273.355 2.367 20 30 CEEDHN C=CCOCCNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000681981634 540453271 /nfs/dbraw/zinc/45/32/71/540453271.db2.gz QVPXUKZRZBGZQO-UHFFFAOYSA-N 0 3 289.354 2.363 20 30 CEEDHN C=C(CNC(=O)N[C@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000672884799 540643574 /nfs/dbraw/zinc/64/35/74/540643574.db2.gz XSPHXWAXWIPCIX-KRWDZBQOSA-N 0 3 299.418 2.483 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000578824918 366551206 /nfs/dbraw/zinc/55/12/06/366551206.db2.gz CYYREQSHAAHHMG-IACUBPJLSA-N 0 3 258.321 2.183 20 30 CEEDHN C[C@H](Cc1ccc(O)cc1)NC[C@@H](C#N)CCC#N ZINC000579344793 366630505 /nfs/dbraw/zinc/63/05/05/366630505.db2.gz KJWAINZQYANYDD-TZMCWYRMSA-N 0 3 257.337 2.356 20 30 CEEDHN CCN(CCNC(=O)c1c(F)cc(C#N)cc1F)C1CC1 ZINC000151476315 366646973 /nfs/dbraw/zinc/64/69/73/366646973.db2.gz CGSCHKNWSANGEO-UHFFFAOYSA-N 0 3 293.317 2.051 20 30 CEEDHN C[C@@](O)(CNCc1ccc(C#N)s1)c1ccco1 ZINC000176976144 189017933 /nfs/dbraw/zinc/01/79/33/189017933.db2.gz VKJZSSVJQJCLQP-CYBMUJFWSA-N 0 3 262.334 2.210 20 30 CEEDHN CCCN(CC#Cc1ccc(Cl)cc1)CCO ZINC000177026619 189021617 /nfs/dbraw/zinc/02/16/17/189021617.db2.gz IAJBSGUCEGUKFY-UHFFFAOYSA-N 0 3 251.757 2.396 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)/C=C/c2cccc(C#N)c2)CN1C1CC1 ZINC000177044390 189023942 /nfs/dbraw/zinc/02/39/42/189023942.db2.gz RMQUWKUZEHRBQX-KGMNCQPJSA-N 0 3 295.386 2.313 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)C#Cc1ccccc1 ZINC000081717646 363738415 /nfs/dbraw/zinc/73/84/15/363738415.db2.gz GUQRXPMKSGUVMG-INIZCTEOSA-N 0 3 270.376 2.029 20 30 CEEDHN CCC#C[C@H](C)N(C)C[C@H](O)COCc1ccccc1 ZINC000677048260 540976147 /nfs/dbraw/zinc/97/61/47/540976147.db2.gz SQUAOIZABVXCDY-RDJZCZTQSA-N 0 3 275.392 2.298 20 30 CEEDHN CC1(C)CN(C2(CNCCC#N)CCCCC2)CCO1 ZINC000579701617 366685682 /nfs/dbraw/zinc/68/56/82/366685682.db2.gz JLYFFQBYRYPSQB-UHFFFAOYSA-N 0 3 279.428 2.303 20 30 CEEDHN CCC#C[C@@H](C)N1CCC(C(=O)NCCCC)CC1 ZINC000677478723 541018343 /nfs/dbraw/zinc/01/83/43/541018343.db2.gz CFLKHIHFDJOFSO-CQSZACIVSA-N 0 3 264.413 2.417 20 30 CEEDHN COc1ccc(CN2[C@@H](C)CCC[C@H]2CO)cc1C#N ZINC000181379838 189294845 /nfs/dbraw/zinc/29/48/45/189294845.db2.gz GHKQCRCDDTZBBX-WFASDCNBSA-N 0 3 274.364 2.302 20 30 CEEDHN COCC#CCN1CCC(COc2ccccc2)CC1 ZINC000677817755 541046378 /nfs/dbraw/zinc/04/63/78/541046378.db2.gz BAVLPKLIBCVKFT-UHFFFAOYSA-N 0 3 273.376 2.427 20 30 CEEDHN CC[C@@H]1CN(C)c2ccccc2CN1CC#CCOC ZINC000677820507 541047273 /nfs/dbraw/zinc/04/72/73/541047273.db2.gz PNRXUKBHDLMUPY-MRXNPFEDSA-N 0 3 272.392 2.367 20 30 CEEDHN Cc1cc(C#N)cc(NC[C@H](c2cccs2)N(C)C)n1 ZINC000339969720 366732306 /nfs/dbraw/zinc/73/23/06/366732306.db2.gz HUHCHKKXVZQVPT-CYBMUJFWSA-N 0 3 286.404 2.460 20 30 CEEDHN N#CCCCOc1cccc(CN(CCO)C2CC2)c1 ZINC000153603241 366736265 /nfs/dbraw/zinc/73/62/65/366736265.db2.gz GHQBULVVGVDPJL-UHFFFAOYSA-N 0 3 274.364 2.326 20 30 CEEDHN COCCN(CCCn1ccnc1)Cc1ccc(C#N)cc1 ZINC000182721064 189332490 /nfs/dbraw/zinc/33/24/90/189332490.db2.gz GLRFUIVMWFAOPO-UHFFFAOYSA-N 0 3 298.390 2.293 20 30 CEEDHN N#Cc1ccc(CNCCc2ccccn2)c(F)c1 ZINC000020049636 361576158 /nfs/dbraw/zinc/57/61/58/361576158.db2.gz XIVKSKRQQQZGAR-UHFFFAOYSA-N 0 3 255.296 2.425 20 30 CEEDHN C[C@H](CNc1ccc(C#N)nn1)N(C)Cc1ccccc1 ZINC000302011731 201297085 /nfs/dbraw/zinc/29/70/85/201297085.db2.gz WPOSQCDNSVTPLN-CYBMUJFWSA-N 0 3 281.363 2.281 20 30 CEEDHN C=C(C)[C@H](CO)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000678894972 541189289 /nfs/dbraw/zinc/18/92/89/541189289.db2.gz JGNHRKXKGXZRBM-WMLDXEAASA-N 0 3 289.375 2.436 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000342555342 216398356 /nfs/dbraw/zinc/39/83/56/216398356.db2.gz KXMLGMFFQVPGDX-INIZCTEOSA-N 0 3 285.391 2.391 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C)[C@H](F)C2)CC1 ZINC000679295380 541246499 /nfs/dbraw/zinc/24/64/99/541246499.db2.gz PQYMXURDOQOOBJ-GXTWGEPZSA-N 0 3 283.391 2.026 20 30 CEEDHN CCCCOCCNCc1ccc(OC)c(C#N)c1 ZINC000087823874 363870494 /nfs/dbraw/zinc/87/04/94/363870494.db2.gz JEPOGLKTLZOCBR-UHFFFAOYSA-N 0 3 262.353 2.473 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(OC)cc1 ZINC000088218785 363882960 /nfs/dbraw/zinc/88/29/60/363882960.db2.gz LABZDZNGRWRMKZ-VXGBXAGGSA-N 0 3 262.353 2.037 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])CCN1C ZINC000090795178 364064258 /nfs/dbraw/zinc/06/42/58/364064258.db2.gz YHYOBUDGHRUUNC-PWSUYJOCSA-N 0 3 274.324 2.361 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000335002633 364334205 /nfs/dbraw/zinc/33/42/05/364334205.db2.gz JNNAXJAJUMMUJK-ZDUSSCGKSA-N 0 3 290.342 2.255 20 30 CEEDHN C[C@H](SCCN(C)C)C(=O)Nc1ccccc1C#N ZINC000094822714 364302264 /nfs/dbraw/zinc/30/22/64/364302264.db2.gz ZTRLXMHWRYGZGB-NSHDSACASA-N 0 3 277.393 2.180 20 30 CEEDHN CC#CCN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000157534322 366845832 /nfs/dbraw/zinc/84/58/32/366845832.db2.gz IXOLGGLRTLBZRN-UHFFFAOYSA-N 0 3 260.356 2.357 20 30 CEEDHN CC(C#N)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000335102881 364480208 /nfs/dbraw/zinc/48/02/08/364480208.db2.gz APWFFHFNAUSXMS-SNVBAGLBSA-N 0 3 253.305 2.212 20 30 CEEDHN CSC[C@@H](O)CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000582058357 366854984 /nfs/dbraw/zinc/85/49/84/366854984.db2.gz XUJYYFZDRCVHEY-ZFWWWQNUSA-N 0 3 276.405 2.249 20 30 CEEDHN CC#CCN1CCC(C(=O)NCc2ccccc2)CC1 ZINC000158594186 366858499 /nfs/dbraw/zinc/85/84/99/366858499.db2.gz MKIPUFTXNWPEKB-UHFFFAOYSA-N 0 3 270.376 2.038 20 30 CEEDHN C=C(C)COCCNCc1ccccc1NC(C)=O ZINC000158638642 366858786 /nfs/dbraw/zinc/85/87/86/366858786.db2.gz HJZAYKOUIGGSRX-UHFFFAOYSA-N 0 3 262.353 2.327 20 30 CEEDHN N#CCCN(CCC#N)C(=O)CN(C1CC1)C1CCCC1 ZINC000103465995 364656593 /nfs/dbraw/zinc/65/65/93/364656593.db2.gz QCNGUYUDHFJOIC-UHFFFAOYSA-N 0 3 288.395 2.049 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)NCC2CCC(C#N)CC2)CCN1C ZINC000335230616 364659645 /nfs/dbraw/zinc/65/96/45/364659645.db2.gz YRWWDRLXWBTZLF-PPWQZUPISA-N 0 3 292.427 2.098 20 30 CEEDHN CC1(C#N)CCC(N[C@@H]2CNCCC2(F)F)CC1 ZINC000335364666 364694496 /nfs/dbraw/zinc/69/44/96/364694496.db2.gz VNVKKVYPVMGZNA-MOENNCHZSA-N 0 3 257.328 2.046 20 30 CEEDHN C=C(C)CN(CCOC)Cc1ccc2c(c1)OCO2 ZINC000111692389 364754285 /nfs/dbraw/zinc/75/42/85/364754285.db2.gz DLOYFEWOQWUQMV-UHFFFAOYSA-N 0 3 263.337 2.440 20 30 CEEDHN C=CCOc1ccc(CN2CCN(CC)CC2)cc1OC ZINC000112135099 364773690 /nfs/dbraw/zinc/77/36/90/364773690.db2.gz RROYNQJPHUMCBZ-UHFFFAOYSA-N 0 3 290.407 2.398 20 30 CEEDHN N#Cc1csc(CN2CC[C@@H](O)C23CCCC3)c1 ZINC000335713917 364872729 /nfs/dbraw/zinc/87/27/29/364872729.db2.gz HWOAJIZUEILJGE-CYBMUJFWSA-N 0 3 262.378 2.499 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000335601730 212314009 /nfs/dbraw/zinc/31/40/09/212314009.db2.gz YLWFHBMZCJBTLT-AWEZNQCLSA-N 0 3 271.364 2.033 20 30 CEEDHN CN1CCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1Cl ZINC000335729819 364898005 /nfs/dbraw/zinc/89/80/05/364898005.db2.gz TYRKGKNCBZMHDC-NSHDSACASA-N 0 3 292.770 2.427 20 30 CEEDHN C=CCN(CCc1ccccc1)C[C@@H](O)COCC ZINC000113501204 364899556 /nfs/dbraw/zinc/89/95/56/364899556.db2.gz JWQSUVKIKPSBLD-MRXNPFEDSA-N 0 3 263.381 2.115 20 30 CEEDHN CN(C)CCN(C(=O)c1ccc(C#N)nc1)c1ccccc1 ZINC000115047461 364983849 /nfs/dbraw/zinc/98/38/49/364983849.db2.gz CSCGZEOKIQZWIO-UHFFFAOYSA-N 0 3 294.358 2.162 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H](SC)C2)CC1 ZINC000117221251 365096805 /nfs/dbraw/zinc/09/68/05/365096805.db2.gz VZZXWCHMDHWIJQ-LSDHHAIUSA-N 0 3 294.464 2.122 20 30 CEEDHN C[C@@H]1C[C@@H](O)CN1Cc1ccccc1C(C)(C)C#N ZINC000335935270 365181642 /nfs/dbraw/zinc/18/16/42/365181642.db2.gz YHPXPWWPMYEDLW-TZMCWYRMSA-N 0 3 258.365 2.443 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000335906966 365145362 /nfs/dbraw/zinc/14/53/62/365145362.db2.gz BMGFJHFDRDJEBE-LBPRGKRZSA-N 0 3 287.363 2.206 20 30 CEEDHN CC(C#N)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000357318247 370811072 /nfs/dbraw/zinc/81/10/72/370811072.db2.gz RIPITOFYNBJLCK-SNVBAGLBSA-N 0 3 280.249 2.333 20 30 CEEDHN Cc1cc(CN2CCN(C)C(C)(C)C2)ccc1C#N ZINC000582249159 366884843 /nfs/dbraw/zinc/88/48/43/366884843.db2.gz GYTHJCUYZSKUCF-UHFFFAOYSA-N 0 3 257.381 2.393 20 30 CEEDHN N#CCC[C@H](C#N)CNCC[C@H]1COc2ccccc2O1 ZINC000582156732 366869371 /nfs/dbraw/zinc/86/93/71/366869371.db2.gz WECGDXIKVVYNGH-KGLIPLIRSA-N 0 3 285.347 2.250 20 30 CEEDHN C[C@@H](NCCCC#N)c1ccc(S(C)(=O)=O)cc1 ZINC000120179795 365384553 /nfs/dbraw/zinc/38/45/53/365384553.db2.gz AJQWRKBIBUHEIL-LLVKDONJSA-N 0 3 266.366 2.044 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000336178538 365517862 /nfs/dbraw/zinc/51/78/62/365517862.db2.gz LJGAQGPOZDMCBL-OCCSQVGLSA-N 0 3 271.364 2.079 20 30 CEEDHN C=CCCOCCNCc1ccc(OC)c(OC)c1 ZINC000120839716 365483229 /nfs/dbraw/zinc/48/32/29/365483229.db2.gz IPGIHCZAPUIPIB-UHFFFAOYSA-N 0 3 265.353 2.386 20 30 CEEDHN CC[C@H](NC[C@@H](C)S(C)(=O)=O)c1ccc(C#N)cc1 ZINC000584093117 367141140 /nfs/dbraw/zinc/14/11/40/367141140.db2.gz DQYOYIQSFQGNBF-RISCZKNCSA-N 0 3 280.393 2.032 20 30 CEEDHN C=CCN(CCc1ccco1)CC(C)(C)N1CCOCC1 ZINC000638917102 370838898 /nfs/dbraw/zinc/83/88/98/370838898.db2.gz AKPWIGYLWCTGLW-UHFFFAOYSA-N 0 3 292.423 2.421 20 30 CEEDHN C=CC(C)(C)CNCCS(=O)(=O)c1ccccc1 ZINC000584346629 367147407 /nfs/dbraw/zinc/14/74/07/367147407.db2.gz UCZCWEKDGFENDE-UHFFFAOYSA-N 0 3 267.394 2.262 20 30 CEEDHN CCC[C@@H](C)N(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000357532202 370821176 /nfs/dbraw/zinc/82/11/76/370821176.db2.gz PLALLZIUNNQPEM-TZMCWYRMSA-N 0 3 253.390 2.161 20 30 CEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000357834776 370830505 /nfs/dbraw/zinc/83/05/05/370830505.db2.gz SDCWDGRIYHLSSP-OLZOCXBDSA-N 0 3 291.420 2.236 20 30 CEEDHN Cc1ccc(OCCCCNC(=O)C(C)C#N)cc1 ZINC000357840093 370831234 /nfs/dbraw/zinc/83/12/34/370831234.db2.gz XDXVCKKGEMSLRC-CYBMUJFWSA-N 0 3 260.337 2.430 20 30 CEEDHN CC(C)[C@H](CO)NCc1ccc(C#N)cc1Cl ZINC000162763398 367188723 /nfs/dbraw/zinc/18/87/23/367188723.db2.gz NTTXBZNDNOQTFD-ZDUSSCGKSA-N 0 3 252.745 2.318 20 30 CEEDHN CN1CCCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000162861467 367197983 /nfs/dbraw/zinc/19/79/83/367197983.db2.gz HFBAHCPWRRLTIH-UHFFFAOYSA-N 0 3 263.772 2.349 20 30 CEEDHN N#CC[C@]1(O)CCN(c2ccnc3ccccc32)C1 ZINC000591976378 367200935 /nfs/dbraw/zinc/20/09/35/367200935.db2.gz NIWZAAUMTBLNIV-HNNXBMFYSA-N 0 3 253.305 2.090 20 30 CEEDHN C=CCOc1ccccc1CN[C@H](C)C[S@](C)=O ZINC000168150932 367348777 /nfs/dbraw/zinc/34/87/77/367348777.db2.gz UNBIRPWXZZHELM-KZULUSFZSA-N 0 3 267.394 2.108 20 30 CEEDHN C=C(C)COCCNCc1ccc2c(c1)ncn2C ZINC000341323370 367285489 /nfs/dbraw/zinc/28/54/89/367285489.db2.gz PVGRVLPUXLONJY-UHFFFAOYSA-N 0 3 259.353 2.256 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000341364919 367306058 /nfs/dbraw/zinc/30/60/58/367306058.db2.gz DFEOUUPZKXICFG-MJBXVCDLSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCC[C@H](O)CN[C@H](c1cnn(C)c1)C(C)(C)C ZINC000342316386 367399366 /nfs/dbraw/zinc/39/93/66/367399366.db2.gz BYTZLGRQYARENZ-UONOGXRCSA-N 0 3 265.401 2.424 20 30 CEEDHN CCN1C[C@H](C)N(c2cc(C#N)cc(C)n2)C[C@@H]1C ZINC000342468625 367411383 /nfs/dbraw/zinc/41/13/83/367411383.db2.gz FLHSWFHQSIAWCD-STQMWFEESA-N 0 3 258.369 2.181 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2ccc(N(C)C)cn2)nc(C)n1 ZINC000342460537 367411903 /nfs/dbraw/zinc/41/19/03/367411903.db2.gz HHXIYTXIPIMEGN-CYBMUJFWSA-N 0 3 295.346 2.045 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCCOC1)C(C)C ZINC000170811531 367421682 /nfs/dbraw/zinc/42/16/82/367421682.db2.gz JGHCRMDGYLYOBH-HOTGVXAUSA-N 0 3 294.439 2.228 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)CCc1c[nH]c2ccccc12 ZINC000631610457 367439242 /nfs/dbraw/zinc/43/92/42/367439242.db2.gz BCVSPBXZAFSAIH-CYBMUJFWSA-N 0 3 285.391 2.381 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)C(C)(C)C#N ZINC000342779666 367532080 /nfs/dbraw/zinc/53/20/80/367532080.db2.gz KFDPTVHFMPNLKK-UHFFFAOYSA-N 0 3 265.401 2.261 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cnc3ccccc3n2)CC1 ZINC000171722775 367602833 /nfs/dbraw/zinc/60/28/33/367602833.db2.gz UQGAAIRVHPDRKF-UHFFFAOYSA-N 0 3 296.374 2.010 20 30 CEEDHN C=CCN1CCC(NC(=O)CCc2cccs2)CC1 ZINC000171727693 367603919 /nfs/dbraw/zinc/60/39/19/367603919.db2.gz GCAISJFZWIYMHL-UHFFFAOYSA-N 0 3 278.421 2.447 20 30 CEEDHN N#Cc1ccc(CN2CCN(CC3CCOCC3)CC2)cc1 ZINC000172007278 367658119 /nfs/dbraw/zinc/65/81/19/367658119.db2.gz XRVDHHSNXFCRJD-UHFFFAOYSA-N 0 3 299.418 2.102 20 30 CEEDHN Cc1cc(CCNC(=O)C(C#N)CCc2ccccc2)on1 ZINC000343109596 367673435 /nfs/dbraw/zinc/67/34/35/367673435.db2.gz VECPEXVPPSIQPF-HNNXBMFYSA-N 0 3 297.358 2.414 20 30 CEEDHN CCCCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000172176500 367690432 /nfs/dbraw/zinc/69/04/32/367690432.db2.gz ULQBLGOVBDVOGQ-UHFFFAOYSA-N 0 3 258.369 2.265 20 30 CEEDHN C#CCSCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000172686207 367801034 /nfs/dbraw/zinc/80/10/34/367801034.db2.gz JHCOKRMCZJDNQQ-UHFFFAOYSA-N 0 3 291.420 2.236 20 30 CEEDHN CCOc1cccc([C@@H]2C[C@@H]2NC(=O)C(C)C#N)c1 ZINC000343517836 367858453 /nfs/dbraw/zinc/85/84/53/367858453.db2.gz DZECZIOBMKKVFO-BPNCWPANSA-N 0 3 258.321 2.217 20 30 CEEDHN CCOc1cccc([C@@H]2C[C@@H]2NC(=O)C(C)C#N)c1 ZINC000343518740 367859813 /nfs/dbraw/zinc/85/98/13/367859813.db2.gz DZECZIOBMKKVFO-SWHYSGLUSA-N 0 3 258.321 2.217 20 30 CEEDHN CCCN1CCC[C@@H]1CNC(=O)c1cccc(F)c1C#N ZINC000343539637 367872478 /nfs/dbraw/zinc/87/24/78/367872478.db2.gz FGCYLEIYZAPGKS-GFCCVEGCSA-N 0 3 289.354 2.302 20 30 CEEDHN Cc1c(Cl)cnc(NCCN2CCC[C@@H](C)C2)c1C#N ZINC000343541040 367873675 /nfs/dbraw/zinc/87/36/75/367873675.db2.gz XBLPZOGXCOKIKU-LLVKDONJSA-N 0 3 292.814 2.481 20 30 CEEDHN C[C@@H]1[C@@H](Nc2nc3ccccn3c2C#N)CCCN1C ZINC000343448822 367820554 /nfs/dbraw/zinc/82/05/54/367820554.db2.gz CBLKNCROTRPUGL-NEPJUHHUSA-N 0 3 269.352 2.101 20 30 CEEDHN CC(C)CN1CCC[C@H]1CNC(=O)c1ccc(C#N)o1 ZINC000343487428 367842833 /nfs/dbraw/zinc/84/28/33/367842833.db2.gz SBXOKCCSAPFJNU-LBPRGKRZSA-N 0 3 275.352 2.001 20 30 CEEDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(C#N)cc1)C2 ZINC000174161940 367991631 /nfs/dbraw/zinc/99/16/31/367991631.db2.gz QOQCTNSZCGVXDG-LSDHHAIUSA-N 0 3 284.363 2.259 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)CC2CCCC2)s1 ZINC000343887849 368060613 /nfs/dbraw/zinc/06/06/13/368060613.db2.gz KEEVEJDRHGJCSL-UHFFFAOYSA-N 0 3 291.420 2.406 20 30 CEEDHN N#Cc1ccc(CNC2CCN(Cc3ccccn3)CC2)o1 ZINC000174276999 368006520 /nfs/dbraw/zinc/00/65/20/368006520.db2.gz HJQRSKIFOXHAPE-UHFFFAOYSA-N 0 3 296.374 2.300 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](C2CC2)C1 ZINC000344102332 368108286 /nfs/dbraw/zinc/10/82/86/368108286.db2.gz OAYSRQXTCREHQT-ZFWWWQNUSA-N 0 3 277.412 2.117 20 30 CEEDHN C[C@H](NCCCCS(C)(=O)=O)c1ccc(C#N)cc1F ZINC000344378829 368120324 /nfs/dbraw/zinc/12/03/24/368120324.db2.gz CDKHUSSUOZJIRH-NSHDSACASA-N 0 3 298.383 2.173 20 30 CEEDHN C[C@@H](CCO)C1(CNCc2ccc(C#N)o2)CCC1 ZINC000345162730 368176092 /nfs/dbraw/zinc/17/60/92/368176092.db2.gz JUQHUZRCFHYQMK-LBPRGKRZSA-N 0 3 262.353 2.430 20 30 CEEDHN COC(=O)CC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000345311057 368230508 /nfs/dbraw/zinc/23/05/08/368230508.db2.gz YDPLZNISXQQING-UHFFFAOYSA-N 0 3 272.348 2.333 20 30 CEEDHN N#Cc1csc(CNCc2cccc(-n3cncn3)c2)c1 ZINC000177703373 368279866 /nfs/dbraw/zinc/27/98/66/368279866.db2.gz XWCVGOSZFUZXJV-UHFFFAOYSA-N 0 3 295.371 2.490 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCCN(C)C1 ZINC000178585756 368305748 /nfs/dbraw/zinc/30/57/48/368305748.db2.gz NKAUVLYHNFRQSH-CYBMUJFWSA-N 0 3 286.379 2.330 20 30 CEEDHN CN1CCC[C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000180356895 368378705 /nfs/dbraw/zinc/37/87/05/368378705.db2.gz UPFMHHPDWAPSNE-AWEZNQCLSA-N 0 3 297.402 2.313 20 30 CEEDHN CC1(C)OCC[C@@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000572648483 299386172 /nfs/dbraw/zinc/38/61/72/299386172.db2.gz FWGUFZGPGBBGPN-ZDUSSCGKSA-N 0 3 275.308 2.124 20 30 CEEDHN CC(C)CN(C(=O)c1c[nH]c(C#N)c1)C1CCN(C)CC1 ZINC000181885099 368504270 /nfs/dbraw/zinc/50/42/70/368504270.db2.gz FFOMWXWWZHPYHZ-UHFFFAOYSA-N 0 3 288.395 2.079 20 30 CEEDHN CCOC(=O)C[C@H](C)N(C)CCOc1ccc(C#N)cc1 ZINC000182619951 368571727 /nfs/dbraw/zinc/57/17/27/368571727.db2.gz RNPBCSKSTRSCOM-ZDUSSCGKSA-N 0 3 290.363 2.211 20 30 CEEDHN CCOC(=O)C[C@@H](C)N(C)Cc1cc(C#N)cs1 ZINC000183185542 368614611 /nfs/dbraw/zinc/61/46/11/368614611.db2.gz NMCAVAREBOYGRT-SNVBAGLBSA-N 0 3 266.366 2.393 20 30 CEEDHN C=CCC1(C(=O)N(C)C2CCN(C)CC2)CCC1 ZINC000358092542 370902934 /nfs/dbraw/zinc/90/29/34/370902934.db2.gz LYUUXDJRXDRFAD-UHFFFAOYSA-N 0 3 250.386 2.285 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C(C)(C)C)C1 ZINC000346599660 368729932 /nfs/dbraw/zinc/72/99/32/368729932.db2.gz GQPINSHPZHOTKX-QWHCGFSZSA-N 0 3 277.412 2.305 20 30 CEEDHN CC1=CCN(CCNCc2cc(C#N)cs2)CC1 ZINC000358119370 370913365 /nfs/dbraw/zinc/91/33/65/370913365.db2.gz ODZWOVFQQKQKLF-UHFFFAOYSA-N 0 3 261.394 2.361 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(C#N)cs1 ZINC000246141327 370914703 /nfs/dbraw/zinc/91/47/03/370914703.db2.gz NWAMEDABRUDFNB-ZYHUDNBSSA-N 0 3 277.393 2.032 20 30 CEEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000346664890 368760330 /nfs/dbraw/zinc/76/03/30/368760330.db2.gz HVRLXYAEWPVUIL-OAHLLOKOSA-N 0 3 288.395 2.271 20 30 CEEDHN CC1=CCN(CCNCc2cccc(C#N)c2)CC1 ZINC000358174214 370936916 /nfs/dbraw/zinc/93/69/16/370936916.db2.gz YAKHYDXUTPYUOJ-UHFFFAOYSA-N 0 3 255.365 2.300 20 30 CEEDHN C=CCN(Cc1cccn(C(F)F)c1=O)C1CC1 ZINC000639064173 370939687 /nfs/dbraw/zinc/93/96/87/370939687.db2.gz YIANIJYLBNMPQM-UHFFFAOYSA-N 0 3 254.280 2.394 20 30 CEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)C2(C#N)CCCC2)C1 ZINC000246280080 370941269 /nfs/dbraw/zinc/94/12/69/370941269.db2.gz MMDGZTWVQOVFSX-UONOGXRCSA-N 0 3 275.396 2.013 20 30 CEEDHN C[C@@H](C[S@@](C)=O)N(C)CCCOc1cccc(C#N)c1 ZINC000185122783 368752041 /nfs/dbraw/zinc/75/20/41/368752041.db2.gz RQBCFJIHNMXSOK-RNODOKPDSA-N 0 3 294.420 2.026 20 30 CEEDHN CCO[C@@H]1C[C@](CO)(NCCC(C)(C)C#N)C1(C)C ZINC000347186144 368800915 /nfs/dbraw/zinc/80/09/15/368800915.db2.gz DABDFABFQHVYDV-IUODEOHRSA-N 0 3 268.401 2.082 20 30 CEEDHN CC[C@@H]1CN(CCC(C)(C)C#N)C[C@]2(CCOC2)O1 ZINC000347210765 368802530 /nfs/dbraw/zinc/80/25/30/368802530.db2.gz QEVNMSNRAXQVKG-HIFRSBDPSA-N 0 3 266.385 2.196 20 30 CEEDHN C=CCN(CC=C)[C@H](CN1C(=O)NC(C)(C)C1=O)C(C)C ZINC000348138557 368915965 /nfs/dbraw/zinc/91/59/65/368915965.db2.gz AVLRIRZWXMTBTM-CYBMUJFWSA-N 0 3 293.411 2.015 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000186125704 368922012 /nfs/dbraw/zinc/92/20/12/368922012.db2.gz PZSLZZBFLKJCJV-OAHLLOKOSA-N 0 3 299.418 2.280 20 30 CEEDHN CN(Cc1ccc(F)cc1C#N)[C@H]1CCN(C2CC2)C1 ZINC000348201645 368947756 /nfs/dbraw/zinc/94/77/56/368947756.db2.gz XEGHYCPKMMOCJU-INIZCTEOSA-N 0 3 273.355 2.366 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(CC(C)(C)O)CC1 ZINC000186282739 368950471 /nfs/dbraw/zinc/95/04/71/368950471.db2.gz JALMQPYJJXINAB-AWEZNQCLSA-N 0 3 287.407 2.008 20 30 CEEDHN CCO[C@@H]1C[C@](CO)(NCc2ccc(C#N)s2)C1(C)C ZINC000186577365 368999151 /nfs/dbraw/zinc/99/91/51/368999151.db2.gz HAOXWZLMVDAQPT-UKRRQHHQSA-N 0 3 294.420 2.275 20 30 CEEDHN CCO[C@H]1C[C@](CO)(NCc2cc(C#N)cs2)C1(C)C ZINC000186579843 369000452 /nfs/dbraw/zinc/00/04/52/369000452.db2.gz SGVUIKBSWJFHJQ-DZGCQCFKSA-N 0 3 294.420 2.275 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1cc(OC)ccc1OC ZINC000186695343 369022509 /nfs/dbraw/zinc/02/25/09/369022509.db2.gz UIARLWSLHPFCGB-NEPJUHHUSA-N 0 3 265.353 2.291 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000186704620 369023999 /nfs/dbraw/zinc/02/39/99/369023999.db2.gz JBDYMABPLIMMIW-DGCLKSJQSA-N 0 3 263.337 2.045 20 30 CEEDHN C=CCc1cc(CN(C)[C@@H]2CCC[C@@H]2O)cc(OC)c1O ZINC000348548647 369085123 /nfs/dbraw/zinc/08/51/23/369085123.db2.gz QWIRQPIWTDWTES-CABCVRRESA-N 0 3 291.391 2.475 20 30 CEEDHN CC(C)[C@@H]1CN(C)CCN1CCOc1ccc(C#N)cc1 ZINC000348583148 369095728 /nfs/dbraw/zinc/09/57/28/369095728.db2.gz WSIJWNMCXJKBQD-KRWDZBQOSA-N 0 3 287.407 2.209 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000186811985 369050152 /nfs/dbraw/zinc/05/01/52/369050152.db2.gz SYVJLESUZCCQEZ-UHFFFAOYSA-N 0 3 297.402 2.408 20 30 CEEDHN C=CCC[C@@H](C(=O)NCCN(C)C)c1ccccc1 ZINC000187304175 369134388 /nfs/dbraw/zinc/13/43/88/369134388.db2.gz CFHKDXGDTBRQDH-OAHLLOKOSA-N 0 3 260.381 2.414 20 30 CEEDHN CCO[C@H]1C[C@H](NCC#CCOC)C1(CC)CC ZINC000683221187 541775992 /nfs/dbraw/zinc/77/59/92/541775992.db2.gz NLZGIBRKHIVAFG-KBPBESRZSA-N 0 3 253.386 2.210 20 30 CEEDHN CN(CCCn1ccnc1)Cc1cc(C#N)cs1 ZINC000349415323 369322869 /nfs/dbraw/zinc/32/28/69/369322869.db2.gz JBAOCHMMZFSIKV-UHFFFAOYSA-N 0 3 260.366 2.338 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1cc(OC)c(OC)cc1F ZINC000349745443 369385291 /nfs/dbraw/zinc/38/52/91/369385291.db2.gz AJQWEVKXXUGUBB-MNOVXSKESA-N 0 3 283.343 2.431 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCSCC[C@H]2C)CC1 ZINC000188691838 369395286 /nfs/dbraw/zinc/39/52/86/369395286.db2.gz CKOHHAZAEFEPAU-CYBMUJFWSA-N 0 3 297.468 2.174 20 30 CEEDHN COc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1[N+](=O)[O-] ZINC000349814626 369408217 /nfs/dbraw/zinc/40/82/17/369408217.db2.gz VENGUDUFDSJUAA-JQWIXIFHSA-N 0 3 275.308 2.385 20 30 CEEDHN CCC[C@H]1CCCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000246547858 370975745 /nfs/dbraw/zinc/97/57/45/370975745.db2.gz MHRFJFZXDTVQIS-KGLIPLIRSA-N 0 3 265.401 2.259 20 30 CEEDHN N#Cc1ccc(OCCN2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000246454389 370964117 /nfs/dbraw/zinc/96/41/17/370964117.db2.gz CAHQRWKVHRRYLS-RDJZCZTQSA-N 0 3 286.375 2.438 20 30 CEEDHN C=CCN(C(=O)CN(C)CC(C)(C)C)[C@H](C)COC ZINC000636159976 369540900 /nfs/dbraw/zinc/54/09/00/369540900.db2.gz IUEWFZWHNGHFOM-CYBMUJFWSA-N 0 3 270.417 2.014 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC000636252552 369573555 /nfs/dbraw/zinc/57/35/55/369573555.db2.gz XBAFQHQEUPUYDK-ZDUSSCGKSA-N 0 3 252.402 2.389 20 30 CEEDHN C[C@@H]1CC[C@H](C)CN1CC(=O)NCc1cccc(C#N)c1 ZINC000330927147 203396484 /nfs/dbraw/zinc/39/64/84/203396484.db2.gz JTHGZVKFSWVNHJ-UONOGXRCSA-N 0 3 285.391 2.295 20 30 CEEDHN CN(C)C[C@@H](NCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000189578402 369542236 /nfs/dbraw/zinc/54/22/36/369542236.db2.gz FBMWROICGHBHHQ-QGZVFWFLSA-N 0 3 282.391 2.289 20 30 CEEDHN C=CCCN(C)CC(=O)N(C)Cc1ccccc1C ZINC000276336227 193290553 /nfs/dbraw/zinc/29/05/53/193290553.db2.gz BTYHGPYAMSHCAE-UHFFFAOYSA-N 0 3 260.381 2.461 20 30 CEEDHN C=CCCN(C)[C@H](C)C(=O)NCc1ccccc1OC ZINC000276364985 193301845 /nfs/dbraw/zinc/30/18/45/193301845.db2.gz GFVIPCUMAPWCCC-CYBMUJFWSA-N 0 3 276.380 2.208 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](COCC)C(C)C ZINC000276371784 193305242 /nfs/dbraw/zinc/30/52/42/193305242.db2.gz CCGMYEQRYWYNSO-HUUCEWRRSA-N 0 3 282.428 2.226 20 30 CEEDHN C=CC[C@H](CO)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000351593454 369642820 /nfs/dbraw/zinc/64/28/20/369642820.db2.gz NYKKYUWZZHDXMQ-DMTLFAOVSA-N 0 3 262.309 2.135 20 30 CEEDHN C=CCC(C)(C)C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000351687620 369649735 /nfs/dbraw/zinc/64/97/35/369649735.db2.gz PKCNEVVVORADJW-UHFFFAOYSA-N 0 3 290.411 2.113 20 30 CEEDHN C[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1CO ZINC000190843069 369656917 /nfs/dbraw/zinc/65/69/17/369656917.db2.gz ZCIUQLVAPCZDFK-OCCSQVGLSA-N 0 3 263.768 2.252 20 30 CEEDHN C=CCCN(C)C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000276468882 193343642 /nfs/dbraw/zinc/34/36/42/193343642.db2.gz RKZNXOPZZZPRTC-HNNXBMFYSA-N 0 3 277.364 2.137 20 30 CEEDHN Cn1cc(CN2CCC(Cn3cccn3)CC2)cc1C#N ZINC000191341592 369703427 /nfs/dbraw/zinc/70/34/27/369703427.db2.gz GOJIGPOQJCCKOF-UHFFFAOYSA-N 0 3 283.379 2.005 20 30 CEEDHN CCN(CCC(=O)OC)Cc1ccc(C#N)c(F)c1 ZINC000191973859 369758897 /nfs/dbraw/zinc/75/88/97/369758897.db2.gz AJZWNKOWWGTRSK-UHFFFAOYSA-N 0 3 264.300 2.082 20 30 CEEDHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccnc1 ZINC000193109886 369894240 /nfs/dbraw/zinc/89/42/40/369894240.db2.gz FJQPFBQODQBHLK-BBRMVZONSA-N 0 3 297.358 2.044 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N(C)CCN(C)C1CC1 ZINC000637321745 369899152 /nfs/dbraw/zinc/89/91/52/369899152.db2.gz KHKAVARNYAZQFD-UHFFFAOYSA-N 0 3 267.417 2.324 20 30 CEEDHN CC(C)[C@](C)(CO)NCc1ccc(F)c(C#N)c1 ZINC000352889853 369934705 /nfs/dbraw/zinc/93/47/05/369934705.db2.gz BCJUWEUBLYFFIJ-AWEZNQCLSA-N 0 3 250.317 2.194 20 30 CEEDHN COC(=O)C(C)(C)CCNCc1cccc(C#N)c1 ZINC000352913969 369946482 /nfs/dbraw/zinc/94/64/82/369946482.db2.gz JHMYGTSPEJISGD-UHFFFAOYSA-N 0 3 260.337 2.237 20 30 CEEDHN COC(=O)[C@H]1CC[C@@H](NCc2cc(C#N)cs2)C1 ZINC000193498876 369948042 /nfs/dbraw/zinc/94/80/42/369948042.db2.gz ZJVGNMLMRCEXAT-WDEREUQCSA-N 0 3 264.350 2.051 20 30 CEEDHN C[C@H](CO[C@H]1CCOC1)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353249108 370095407 /nfs/dbraw/zinc/09/54/07/370095407.db2.gz CMAGFAIUINJTJF-PVUWLOKVSA-N 0 3 286.375 2.329 20 30 CEEDHN N#Cc1cccc(NC(=O)C2CCN(C3CC3)CC2)c1 ZINC000195250012 370119632 /nfs/dbraw/zinc/11/96/32/370119632.db2.gz OLAMZFOVFJNNQL-UHFFFAOYSA-N 0 3 269.348 2.371 20 30 CEEDHN C[C@@H](O)C[C@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000228733089 370413256 /nfs/dbraw/zinc/41/32/56/370413256.db2.gz OSVRJRMGQUWGQC-BXUZGUMPSA-N 0 3 262.328 2.433 20 30 CEEDHN CCCN1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000233035602 370516805 /nfs/dbraw/zinc/51/68/05/370516805.db2.gz VJYMVFRSAMDPCH-UHFFFAOYSA-N 0 3 273.380 2.094 20 30 CEEDHN COCCCN(CCOC)Cc1ccc(C#N)c(OC)c1 ZINC000234592056 370537790 /nfs/dbraw/zinc/53/77/90/370537790.db2.gz WBVPCLFQDJHPFC-UHFFFAOYSA-N 0 3 292.379 2.052 20 30 CEEDHN COc1cc(CN2CCC[C@H]2C[C@@H](C)O)ccc1C#N ZINC000234980893 370552479 /nfs/dbraw/zinc/55/24/79/370552479.db2.gz SDYQBTAIXWHFKF-DOMZBBRYSA-N 0 3 274.364 2.302 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000638471350 370555438 /nfs/dbraw/zinc/55/54/38/370555438.db2.gz CUXFEQPOXZLFQQ-NSHDSACASA-N 0 3 276.405 2.432 20 30 CEEDHN N#Cc1ccc(CN[C@H](CO)CC2CCC2)s1 ZINC000355519000 370584237 /nfs/dbraw/zinc/58/42/37/370584237.db2.gz UXYYAILRZALGKQ-NSHDSACASA-N 0 3 250.367 2.260 20 30 CEEDHN N#Cc1ccc(F)c(CN[C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000236155498 370584565 /nfs/dbraw/zinc/58/45/65/370584565.db2.gz XOCLCLXXSYLUNN-HUUCEWRRSA-N 0 3 260.312 2.354 20 30 CEEDHN C=CCN1CCC(NCc2cc(C3CC3)no2)CC1 ZINC000638524903 370590722 /nfs/dbraw/zinc/59/07/22/370590722.db2.gz UYRNHPRGLFGQBG-UHFFFAOYSA-N 0 3 261.369 2.292 20 30 CEEDHN C=C(C)COCCNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000355878039 370617554 /nfs/dbraw/zinc/61/75/54/370617554.db2.gz GQDNMHHYBRKQHP-HNNXBMFYSA-N 0 3 282.428 2.206 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCCC[C@H]1C ZINC000358407930 371053168 /nfs/dbraw/zinc/05/31/68/371053168.db2.gz GQXJUMPYIHUNRZ-UONOGXRCSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCN(CCOC)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000358546939 371110302 /nfs/dbraw/zinc/11/03/02/371110302.db2.gz PFJRFADSTSOYCZ-LSDHHAIUSA-N 0 3 297.443 2.093 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(F)c1N ZINC000639232483 371125602 /nfs/dbraw/zinc/12/56/02/371125602.db2.gz JIPMFEAEKZXERF-OLZOCXBDSA-N 0 3 250.317 2.231 20 30 CEEDHN COCCOC[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000358581564 371126133 /nfs/dbraw/zinc/12/61/33/371126133.db2.gz YSLSPHNVVHFOQA-NWDGAFQWSA-N 0 3 280.343 2.399 20 30 CEEDHN N#Cc1cc(F)ccc1CN1CCN2CCCC[C@H]2C1 ZINC000248370779 371181902 /nfs/dbraw/zinc/18/19/02/371181902.db2.gz XYDOGXASNIDINU-INIZCTEOSA-N 0 3 273.355 2.367 20 30 CEEDHN C=CC[C@H]1CCN(Cc2cc3c(cn2)OCCO3)C1 ZINC000639349588 371262748 /nfs/dbraw/zinc/26/27/48/371262748.db2.gz ZQXYKDQATFXGHF-LBPRGKRZSA-N 0 3 260.337 2.251 20 30 CEEDHN CC[C@@H]1[C@@H](C)CCN1CC(=O)N(CC)C[C@H](C)C#N ZINC000249488006 371325761 /nfs/dbraw/zinc/32/57/61/371325761.db2.gz YSBIXFBWRMEZAZ-HZSPNIEDSA-N 0 3 265.401 2.115 20 30 CEEDHN COCC#CCN1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000639591855 371428895 /nfs/dbraw/zinc/42/88/95/371428895.db2.gz KETFNVLCUQUXFL-INIZCTEOSA-N 0 3 297.402 2.398 20 30 CEEDHN N#Cc1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)cc1Cl ZINC000252546574 371454982 /nfs/dbraw/zinc/45/49/82/371454982.db2.gz KQNHVUXMMVAJKH-UONOGXRCSA-N 0 3 291.782 2.487 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2cnn(CC(C)C)c2)nc(C)n1 ZINC000359496297 371464929 /nfs/dbraw/zinc/46/49/29/371464929.db2.gz TWLONLBFYFUTGJ-AWEZNQCLSA-N 0 3 297.362 2.436 20 30 CEEDHN CC[C@H](C)N[C@H](CNC(=O)C(C)(C)C#N)c1ccco1 ZINC000359550243 371468022 /nfs/dbraw/zinc/46/80/22/371468022.db2.gz XMZFERSCWWUPGM-NWDGAFQWSA-N 0 3 277.368 2.375 20 30 CEEDHN CCN(Cc1ccc(OC)c(C#N)c1)C[C@H](C)OC ZINC000361015292 371600567 /nfs/dbraw/zinc/60/05/67/371600567.db2.gz ATBVWLLXCOPKJT-LBPRGKRZSA-N 0 3 262.353 2.424 20 30 CEEDHN CCN(C[C@H](C)OC)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000361569371 371931501 /nfs/dbraw/zinc/93/15/01/371931501.db2.gz SQBVPYSOVJZKNJ-UONOGXRCSA-N 0 3 295.427 2.074 20 30 CEEDHN CC[C@H](C#N)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000263795376 371948825 /nfs/dbraw/zinc/94/88/25/371948825.db2.gz JOBHFMXJVGGJSJ-MRXNPFEDSA-N 0 3 285.391 2.317 20 30 CEEDHN C#CCCOc1ccc(CN[C@@H](C)CC[S@@](C)=O)cc1 ZINC000268461753 372109244 /nfs/dbraw/zinc/10/92/44/372109244.db2.gz ZLYIERJNFHETGO-VBKZILBWSA-N 0 3 293.432 2.335 20 30 CEEDHN COC[C@@H](NCc1ccc(C#N)c(F)c1)C(C)C ZINC000361767813 372063444 /nfs/dbraw/zinc/06/34/44/372063444.db2.gz QFPBQNQOOKQEAU-CQSZACIVSA-N 0 3 250.317 2.458 20 30 CEEDHN Cc1cccc(C(=O)NCCNCc2ccc(C#N)s2)c1 ZINC000267227739 372064624 /nfs/dbraw/zinc/06/46/24/372064624.db2.gz UZTZJNBGDABHHP-UHFFFAOYSA-N 0 3 299.399 2.448 20 30 CEEDHN Cc1csc(NC(=O)[C@@H]2CCCN(CCCC#N)C2)n1 ZINC000361784667 372069484 /nfs/dbraw/zinc/06/94/84/372069484.db2.gz QRJYMTANWVQGGU-GFCCVEGCSA-N 0 3 292.408 2.406 20 30 CEEDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000267628023 372075582 /nfs/dbraw/zinc/07/55/82/372075582.db2.gz LSDHJSZCTSBRKE-WCQYABFASA-N 0 3 288.351 2.243 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000362010764 372170461 /nfs/dbraw/zinc/17/04/61/372170461.db2.gz PBNLEUJPNAPHPU-CJNGLKHVSA-N 0 3 298.390 2.425 20 30 CEEDHN N#Cc1cccc(OCCCN2CCN(C3CCC3)CC2)c1 ZINC000268691752 372182553 /nfs/dbraw/zinc/18/25/53/372182553.db2.gz OZTSZIBUOYQVAB-UHFFFAOYSA-N 0 3 299.418 2.497 20 30 CEEDHN CC(C)OCCCN(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268734572 372199914 /nfs/dbraw/zinc/19/99/14/372199914.db2.gz YCMBVDXRBHLYPC-MRXNPFEDSA-N 0 3 276.380 2.339 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000362288072 372298807 /nfs/dbraw/zinc/29/88/07/372298807.db2.gz PWOPBGBPHUJBSS-GOEBONIOSA-N 0 3 283.375 2.033 20 30 CEEDHN C[C@@H]1CN(CCCCNc2cccc(C#N)n2)C[C@H](C)O1 ZINC000269038504 372321504 /nfs/dbraw/zinc/32/15/04/372321504.db2.gz LOBTZCQQFMUVLD-OKILXGFUSA-N 0 3 288.395 2.255 20 30 CEEDHN N#Cc1ccc(CNCCCNC(=O)C2CCC2)c(F)c1 ZINC000269437797 372449274 /nfs/dbraw/zinc/44/92/74/372449274.db2.gz RSJPQCSVHVRSNH-UHFFFAOYSA-N 0 3 289.354 2.093 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCc3n[nH]cc3C2)c(F)c1 ZINC000344457077 217197024 /nfs/dbraw/zinc/19/70/24/217197024.db2.gz IPINDVGKNISWGZ-CYBMUJFWSA-N 0 3 270.311 2.068 20 30 CEEDHN N#Cc1ccc(CNC[C@]2(O)CCc3ccccc32)cc1 ZINC000269854319 372579760 /nfs/dbraw/zinc/57/97/60/372579760.db2.gz YMRQGOYJGJQIEC-GOSISDBHSA-N 0 3 278.355 2.482 20 30 CEEDHN C[C@@H](O)C[C@H]1CCCN1CCOc1ccccc1C#N ZINC000269863886 372583815 /nfs/dbraw/zinc/58/38/15/372583815.db2.gz WRYFCGPIDLZPMR-UKRRQHHQSA-N 0 3 274.364 2.172 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccnn1-c1ccc(F)cc1 ZINC000641760859 372697351 /nfs/dbraw/zinc/69/73/51/372697351.db2.gz XYMMVJORVQKFJV-AWEZNQCLSA-N 0 3 289.354 2.428 20 30 CEEDHN CC#CC[C@@H](CO)NC/C=C\c1ccc(F)cc1F ZINC000641767105 372705178 /nfs/dbraw/zinc/70/51/78/372705178.db2.gz GUWBWALMLFBBQC-WSNITJDQSA-N 0 3 265.303 2.342 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc(Br)cc1 ZINC000641769042 372710536 /nfs/dbraw/zinc/71/05/36/372710536.db2.gz OOUGOQXVGFTAGI-CYBMUJFWSA-N 0 3 282.181 2.313 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000270521036 372825269 /nfs/dbraw/zinc/82/52/69/372825269.db2.gz MEOULJBFSIPZHL-AWEZNQCLSA-N 0 3 275.327 2.045 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CC(=O)N(Cc3ccccc3)C2)C1 ZINC000365730365 372921176 /nfs/dbraw/zinc/92/11/76/372921176.db2.gz AADGGHWKTRFOLG-IKGGRYGDSA-N 0 3 297.402 2.459 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 ZINC000365730367 372921941 /nfs/dbraw/zinc/92/19/41/372921941.db2.gz AADGGHWKTRFOLG-IXDOHACOSA-N 0 3 297.402 2.459 20 30 CEEDHN C#CCCN(C)[C@@H](CO)c1cccc(Br)c1 ZINC000270936806 373022713 /nfs/dbraw/zinc/02/27/13/373022713.db2.gz IIHGAFGZXRPCNN-ZDUSSCGKSA-N 0 3 282.181 2.438 20 30 CEEDHN C#CCCCN1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000271025326 373075562 /nfs/dbraw/zinc/07/55/62/373075562.db2.gz JUKMIIWWRBLPAI-UHFFFAOYSA-N 0 3 290.382 2.365 20 30 CEEDHN N#Cc1ccnc(N2CCN(C[C@@H]3CC=CCC3)CC2)c1 ZINC000271053178 373095197 /nfs/dbraw/zinc/09/51/97/373095197.db2.gz XKQSPKMNAUTBBH-OAHLLOKOSA-N 0 3 282.391 2.432 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272422592 373477059 /nfs/dbraw/zinc/47/70/59/373477059.db2.gz GQRVTSKAIGNQPG-GOEBONIOSA-N 0 3 283.375 2.033 20 30 CEEDHN C=CCOCCN[C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000644543484 373520766 /nfs/dbraw/zinc/52/07/66/373520766.db2.gz APUKCGUHTMAVIN-ZDUSSCGKSA-N 0 3 276.380 2.242 20 30 CEEDHN C=CCOCCN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000272506702 373522984 /nfs/dbraw/zinc/52/29/84/373522984.db2.gz FJAZGTPCGMLQCW-GFCCVEGCSA-N 0 3 263.337 2.311 20 30 CEEDHN C[C@H](O)[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000272621896 373588272 /nfs/dbraw/zinc/58/82/72/373588272.db2.gz UWCAADVOJYBGGT-JSGCOSHPSA-N 0 3 263.768 2.394 20 30 CEEDHN C=CCOCCN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000272595631 373570727 /nfs/dbraw/zinc/57/07/27/373570727.db2.gz SRNCUEUSMLUMPE-SGTLLEGYSA-N 0 3 267.394 2.277 20 30 CEEDHN C[C@@H]1CN(CCCCNc2cccnc2C#N)C[C@@H](C)O1 ZINC000274159443 373830956 /nfs/dbraw/zinc/83/09/56/373830956.db2.gz ZDTYUQPJPBPMSI-ZIAGYGMSSA-N 0 3 288.395 2.255 20 30 CEEDHN C#CCN(CCC(=O)N1CCc2ccccc21)C1CC1 ZINC000274009522 373778010 /nfs/dbraw/zinc/77/80/10/373778010.db2.gz AJYOVCGPJDYERX-UHFFFAOYSA-N 0 3 268.360 2.063 20 30 CEEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cn[nH]c1 ZINC000274010115 373780197 /nfs/dbraw/zinc/78/01/97/373780197.db2.gz KSYLMKXHDIHFNI-NSHDSACASA-N 0 3 256.309 2.011 20 30 CEEDHN C#CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000274062168 373799548 /nfs/dbraw/zinc/79/95/48/373799548.db2.gz DOMWERFPAVILQB-MRXNPFEDSA-N 0 3 297.402 2.068 20 30 CEEDHN Cc1n[nH]cc1CN1CCCN(c2ccc(C#N)cc2)CC1 ZINC000371361927 373855776 /nfs/dbraw/zinc/85/57/76/373855776.db2.gz WHXBSKDRGGLAQW-UHFFFAOYSA-N 0 3 295.390 2.302 20 30 CEEDHN C=CC[C@@H](CO)NCc1nn(CC)c2ccccc12 ZINC000274415750 373913539 /nfs/dbraw/zinc/91/35/39/373913539.db2.gz JFTQJMQBCQVEFE-LBPRGKRZSA-N 0 3 259.353 2.083 20 30 CEEDHN C=CCNC(=O)CN1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000371754627 373971762 /nfs/dbraw/zinc/97/17/62/373971762.db2.gz HGSAFSNFDOYMPQ-GDBMZVCRSA-N 0 3 272.392 2.414 20 30 CEEDHN C=CCCCCCN(C)[C@H]1CCN(C2CCOCC2)C1=O ZINC000371823766 373987055 /nfs/dbraw/zinc/98/70/55/373987055.db2.gz GRYVMBJMWWLXQY-INIZCTEOSA-N 0 3 294.439 2.445 20 30 CEEDHN C=CCNC(=O)CN1CC[C@H](c2cn(C)c3ccccc23)C1 ZINC000371843929 373990848 /nfs/dbraw/zinc/99/08/48/373990848.db2.gz GDDLEINYDPCBMF-AWEZNQCLSA-N 0 3 297.402 2.270 20 30 CEEDHN C=C(C)CCN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000274808218 374057527 /nfs/dbraw/zinc/05/75/27/374057527.db2.gz UHKTWRXTEKSVKI-CQSZACIVSA-N 0 3 262.353 2.326 20 30 CEEDHN CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000275168107 374176088 /nfs/dbraw/zinc/17/60/88/374176088.db2.gz AIIKYFOYBGZTDR-GJZGRUSLSA-N 0 3 287.363 2.044 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CCCC23CCC3)c1 ZINC000373103015 374267506 /nfs/dbraw/zinc/26/75/06/374267506.db2.gz CWOJMFRHNXQCQR-UHFFFAOYSA-N 0 3 283.375 2.193 20 30 CEEDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1cc(C#N)n(C)c1 ZINC000276759653 374292143 /nfs/dbraw/zinc/29/21/43/374292143.db2.gz MQOBMUIWIIOMIV-GDBMZVCRSA-N 0 3 289.379 2.108 20 30 CEEDHN C#CCN(C)C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000276897519 374337863 /nfs/dbraw/zinc/33/78/63/374337863.db2.gz CVEFCLPCXLIIEU-IUODEOHRSA-N 0 3 281.783 2.344 20 30 CEEDHN C=CCCN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000277000839 374375034 /nfs/dbraw/zinc/37/50/34/374375034.db2.gz WGMYIDDPOLIORA-UKRRQHHQSA-N 0 3 280.318 2.402 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000684126533 541929752 /nfs/dbraw/zinc/92/97/52/541929752.db2.gz VJXPAFAFOCLBIA-ZDUSSCGKSA-N 0 3 267.417 2.324 20 30 CEEDHN COCCN(C)CCCNc1cc(C(C)=O)ccc1C#N ZINC000277195677 374433920 /nfs/dbraw/zinc/43/39/20/374433920.db2.gz XHMACKKXNKUDML-UHFFFAOYSA-N 0 3 289.379 2.141 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H]1CCOC[C@@H]1C ZINC000277514972 374549717 /nfs/dbraw/zinc/54/97/17/374549717.db2.gz QIWPIPBYQFIMOP-FZMZJTMJSA-N 0 3 260.337 2.081 20 30 CEEDHN C=CCN(C)[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000374913937 374635430 /nfs/dbraw/zinc/63/54/30/374635430.db2.gz LOZYCYHLYNLWCI-NVXWUHKLSA-N 0 3 274.408 2.394 20 30 CEEDHN C#CCC(C)(C)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000375129016 374645001 /nfs/dbraw/zinc/64/50/01/374645001.db2.gz VLNSYGCBMSXMRK-CYBMUJFWSA-N 0 3 262.397 2.169 20 30 CEEDHN CCCNC(=O)CN[C@H](CC)c1ccc(C#N)cc1 ZINC000278347318 374786772 /nfs/dbraw/zinc/78/67/72/374786772.db2.gz YOSQZKGOFFAIPQ-CQSZACIVSA-N 0 3 259.353 2.125 20 30 CEEDHN COCCOCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000378354663 375081999 /nfs/dbraw/zinc/08/19/99/375081999.db2.gz HQMONXCHWIDJRN-UHFFFAOYSA-N 0 3 286.375 2.310 20 30 CEEDHN CC[C@@H]1[C@@H](CO)CCN1Cc1cc(C#N)ccc1F ZINC000386298809 375256503 /nfs/dbraw/zinc/25/65/03/375256503.db2.gz QWSUXJXNUQAKQL-IUODEOHRSA-N 0 3 262.328 2.290 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(COC)o1 ZINC000280765463 375313776 /nfs/dbraw/zinc/31/37/76/375313776.db2.gz ZAEPPKBYRXRQMZ-WFASDCNBSA-N 0 3 265.353 2.497 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@H](C)C[C@H](CO)C1 ZINC000398623508 375353588 /nfs/dbraw/zinc/35/35/88/375353588.db2.gz GVJAKGDARUWABW-OCCSQVGLSA-N 0 3 274.364 2.017 20 30 CEEDHN Cc1ccc(C#N)c(N[C@@H]2C[C@@H](C)N(C3CC3)C2)n1 ZINC000408106772 375410857 /nfs/dbraw/zinc/41/08/57/375410857.db2.gz ZLHGAWUQPJWMDZ-DGCLKSJQSA-N 0 3 256.353 2.299 20 30 CEEDHN COC(=O)C[C@@H]1CCCN1Cc1ccc(C#N)c(OC)c1 ZINC000282300289 375451300 /nfs/dbraw/zinc/45/13/00/375451300.db2.gz MHYSSASQUBUQNC-AWEZNQCLSA-N 0 3 288.347 2.094 20 30 CEEDHN CC[C@@H](N[C@H](C)C(=O)NCCF)c1ccc(C#N)cc1 ZINC000282664784 375543528 /nfs/dbraw/zinc/54/35/28/375543528.db2.gz ITAYROIYHJVDAF-BXUZGUMPSA-N 0 3 277.343 2.073 20 30 CEEDHN C=C[C@@H](C)N[C@@H](C)Cn1cc(Br)ccc1=O ZINC000414117040 375795521 /nfs/dbraw/zinc/79/55/21/375795521.db2.gz ROHHJPRMFINSRG-ZJUUUORDSA-N 0 3 285.185 2.163 20 30 CEEDHN C=CCCOCCNC(=O)Nc1ccccc1CNC ZINC000415911046 376029354 /nfs/dbraw/zinc/02/93/54/376029354.db2.gz IZTMZPRFXORESP-UHFFFAOYSA-N 0 3 277.368 2.120 20 30 CEEDHN C=CCNC(=O)NC(=O)CN(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419321535 376441616 /nfs/dbraw/zinc/44/16/16/376441616.db2.gz GDNRWSBPAOLLNX-OLZOCXBDSA-N 0 3 295.427 2.145 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCC1(C#N)CCC1 ZINC000419433669 376453663 /nfs/dbraw/zinc/45/36/63/376453663.db2.gz IOJUOZXILDKIRB-KGLIPLIRSA-N 0 3 292.427 2.100 20 30 CEEDHN C[C@@H](CCO)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305840825 376516652 /nfs/dbraw/zinc/51/66/52/376516652.db2.gz ZAOVWOCIDRJZAH-QWRGUYRKSA-N 0 3 250.317 2.366 20 30 CEEDHN N#Cc1ccc2ncc(CN3CC[C@@H](C4CC4)C3)n2c1 ZINC000334282751 206305705 /nfs/dbraw/zinc/30/57/05/206305705.db2.gz UPVFWFGCDFKSOY-CQSZACIVSA-N 0 3 266.348 2.438 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(CC[C@@H](C)F)C1 ZINC001267747150 803702600 /nfs/dbraw/zinc/70/26/00/803702600.db2.gz LPYBRPZFHGOFML-VXGBXAGGSA-N 0 3 256.365 2.137 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000264201354 190096491 /nfs/dbraw/zinc/09/64/91/190096491.db2.gz PPYNLZDTXWOPPU-LRDDRELGSA-N 0 3 288.366 2.394 20 30 CEEDHN N#Cc1ccc2ncc(CNCCOCC3CCC3)n2c1 ZINC000558649220 376626600 /nfs/dbraw/zinc/62/66/00/376626600.db2.gz SSILSLKDFDABHG-UHFFFAOYSA-N 0 3 284.363 2.112 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N(C)C[C@H]1CCCN1C ZINC000420859113 376727029 /nfs/dbraw/zinc/72/70/29/376727029.db2.gz GRLMMOGMCYNXNP-CHWSQXEVSA-N 0 3 253.390 2.077 20 30 CEEDHN Cc1nc(N2CC[C@@]3(CCN(C)C3)C2)c(Cl)cc1C#N ZINC000312759735 376728496 /nfs/dbraw/zinc/72/84/96/376728496.db2.gz YGWYSFSDPPAYQL-OAHLLOKOSA-N 0 3 290.798 2.447 20 30 CEEDHN Cc1nc(N(C)C[C@@H]2CCCN2C)c(Cl)cc1C#N ZINC000311647080 376679842 /nfs/dbraw/zinc/67/98/42/376679842.db2.gz CIDSOIFGNWDMMQ-LBPRGKRZSA-N 0 3 278.787 2.446 20 30 CEEDHN CCN(Cc1ccc(C#N)c(OC)c1)[C@H]1CCOC1 ZINC000311688145 376682073 /nfs/dbraw/zinc/68/20/73/376682073.db2.gz JYFHEIFRMKMNAA-AWEZNQCLSA-N 0 3 260.337 2.178 20 30 CEEDHN COc1cc(CNC[C@](C)(O)C(C)C)ccc1C#N ZINC000311864362 376690848 /nfs/dbraw/zinc/69/08/48/376690848.db2.gz VQZVLDGCRAQTSD-HNNXBMFYSA-N 0 3 262.353 2.063 20 30 CEEDHN N#Cc1ccc(CC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000264475556 190112793 /nfs/dbraw/zinc/11/27/93/190112793.db2.gz HACFBPRGTFJWQO-QGZVFWFLSA-N 0 3 297.402 2.188 20 30 CEEDHN CC[C@H]1CN(C)CCN1Cc1ccc(C#N)c(C)c1 ZINC000560615529 376770479 /nfs/dbraw/zinc/77/04/79/376770479.db2.gz TVKAFGMBWGOWGR-INIZCTEOSA-N 0 3 257.381 2.393 20 30 CEEDHN C=CCC[C@H](CO)NCc1c(C)nc2ccccn21 ZINC000320627361 376825461 /nfs/dbraw/zinc/82/54/61/376825461.db2.gz JQKJZOJIJJWQJH-CYBMUJFWSA-N 0 3 259.353 2.059 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)NC[C@@H](C)C#N ZINC000561511713 376814570 /nfs/dbraw/zinc/81/45/70/376814570.db2.gz UTAIGRVINKHGNC-AWEZNQCLSA-N 0 3 280.416 2.054 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H](c3nc(C4CC4)no3)C2)C1 ZINC000328724254 376885724 /nfs/dbraw/zinc/88/57/24/376885724.db2.gz AVTOFZBBOQFQEW-RTXFEEFZSA-N 0 3 272.352 2.429 20 30 CEEDHN O=C(N[C@H]1CCC[C@H]1CCO)C1CCN(C2CC2)CC1 ZINC000328749704 376891500 /nfs/dbraw/zinc/89/15/00/376891500.db2.gz MLMJZKGYGNHULB-WFASDCNBSA-N 0 3 280.412 2.368 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3nnc4n3CCCC4)CC2)C1 ZINC000328832080 376906035 /nfs/dbraw/zinc/90/60/35/376906035.db2.gz LHGHTHBIZHZYGC-UKRRQHHQSA-N 0 3 299.422 2.486 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)[C@@H]1CCCOC1 ZINC000329381852 376955597 /nfs/dbraw/zinc/95/55/97/376955597.db2.gz ODRQULNTDZMQMJ-RBSFLKMASA-N 0 3 297.443 2.180 20 30 CEEDHN C#CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000290909931 376980182 /nfs/dbraw/zinc/98/01/82/376980182.db2.gz DIDJHMLAPMNLJD-NVXWUHKLSA-N 0 3 299.418 2.314 20 30 CEEDHN C=CCN(C(=O)[C@H](CN)c1ccc(F)cc1)C1CC1 ZINC000563202316 377124445 /nfs/dbraw/zinc/12/44/45/377124445.db2.gz VKMBBQCNKBGQNQ-CQSZACIVSA-N 0 3 262.328 2.045 20 30 CEEDHN C=CCN[C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291311130 377169471 /nfs/dbraw/zinc/16/94/71/377169471.db2.gz TTWBFBIGFRSFSO-LBPRGKRZSA-N 0 3 259.353 2.443 20 30 CEEDHN C#CCN(C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000292482757 377248861 /nfs/dbraw/zinc/24/88/61/377248861.db2.gz QEAXPPPQRSXVBI-INIZCTEOSA-N 0 3 285.391 2.098 20 30 CEEDHN C#CCN(C)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000292555711 377253604 /nfs/dbraw/zinc/25/36/04/377253604.db2.gz UHJOSWLHZNFIAI-AWEZNQCLSA-N 0 3 293.436 2.406 20 30 CEEDHN Cn1cc(CN2CCCC[C@H]2CC(N)=O)cc1C#N ZINC000331171510 377312901 /nfs/dbraw/zinc/31/29/01/377312901.db2.gz OBRJMEQJFGJRHR-LBPRGKRZSA-N 0 3 260.341 2.177 20 30 CEEDHN C#CCN(C)CCCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000292873809 377326699 /nfs/dbraw/zinc/32/66/99/377326699.db2.gz UDIOJOHRGRKWMP-UHFFFAOYSA-N 0 3 295.314 2.110 20 30 CEEDHN C=CCCC1(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC000425066091 377329135 /nfs/dbraw/zinc/32/91/35/377329135.db2.gz NFCBWBFJVIFOHZ-UONOGXRCSA-N 0 3 262.397 2.285 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425109897 377329907 /nfs/dbraw/zinc/32/99/07/377329907.db2.gz UNWNFYBIBYNXSH-OASPWFOLSA-N 0 3 278.739 2.134 20 30 CEEDHN C[C@@H]1CCC[C@@]1(O)CNCc1ccc(C#N)cc1F ZINC000292887980 377334128 /nfs/dbraw/zinc/33/41/28/377334128.db2.gz CRXAGDJMFKMENY-IAQYHMDHSA-N 0 3 262.328 2.338 20 30 CEEDHN C=CCC1(C(=O)NCCN(C)CCCC)CCOCC1 ZINC000424655069 377280414 /nfs/dbraw/zinc/28/04/14/377280414.db2.gz JMMFVJBDBRCRME-UHFFFAOYSA-N 0 3 282.428 2.207 20 30 CEEDHN C[C@]1(CO)CCC[C@@H]1NCc1ccc(F)c(C#N)c1 ZINC000331149243 377302764 /nfs/dbraw/zinc/30/27/64/377302764.db2.gz HXZIDIMCQGZXAQ-LSDHHAIUSA-N 0 3 262.328 2.338 20 30 CEEDHN CC[C@@H](NCc1ccc(C#N)cc1F)C(C)(C)O ZINC000292964256 377372162 /nfs/dbraw/zinc/37/21/62/377372162.db2.gz JUDVHSLQHGKLKT-CYBMUJFWSA-N 0 3 250.317 2.336 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@@H](CO)[C@@H]1C ZINC000425995391 377390495 /nfs/dbraw/zinc/39/04/95/377390495.db2.gz UYOAJYBFLAYYGE-ZFWWWQNUSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCN(CCOC)CCN1CCc2ccccc21 ZINC000428943542 377503392 /nfs/dbraw/zinc/50/33/92/377503392.db2.gz PPEOXYZPIJXNHK-UHFFFAOYSA-N 0 3 260.381 2.184 20 30 CEEDHN C[C@H](C(=O)NCC1(C#N)CCC1)N1[C@H](C)CC[C@H]1C ZINC000331626685 377489044 /nfs/dbraw/zinc/48/90/44/377489044.db2.gz RTVSNKSCKXFHKJ-JHJVBQTASA-N 0 3 263.385 2.058 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1nc(C)cs1 ZINC000429718750 377518443 /nfs/dbraw/zinc/51/84/43/377518443.db2.gz JQIPGJAIYGVYOA-UHFFFAOYSA-N 0 3 253.415 2.391 20 30 CEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000429720339 377520707 /nfs/dbraw/zinc/52/07/07/377520707.db2.gz PUPWCKXWEWQAID-INIZCTEOSA-N 0 3 295.471 2.073 20 30 CEEDHN C=CCC(C)(C)C(=O)NC1CCN(C2CC2)CC1 ZINC000429830111 377521479 /nfs/dbraw/zinc/52/14/79/377521479.db2.gz WIVHDQONCWRLGQ-UHFFFAOYSA-N 0 3 250.386 2.332 20 30 CEEDHN COCC#CCN[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000685595753 542165979 /nfs/dbraw/zinc/16/59/79/542165979.db2.gz ORXBNEKZDGBRLS-JKSUJKDBSA-N 0 3 292.810 2.325 20 30 CEEDHN N#CCCN(CCC#N)C(=O)CN(C1CCC1)C1CCC1 ZINC000429188602 377512286 /nfs/dbraw/zinc/51/22/86/377512286.db2.gz IYKAOONSIWYYGO-UHFFFAOYSA-N 0 3 288.395 2.049 20 30 CEEDHN C=C(C)CNC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000429324764 377514092 /nfs/dbraw/zinc/51/40/92/377514092.db2.gz DHYZDFJVZQASEY-UHFFFAOYSA-N 0 3 291.399 2.156 20 30 CEEDHN C#CC(C)(C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000265243809 190169069 /nfs/dbraw/zinc/16/90/69/190169069.db2.gz RVTOJLNRVWDSES-UHFFFAOYSA-N 0 3 284.403 2.427 20 30 CEEDHN CC[C@@](C)(C#N)NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000565181494 377591451 /nfs/dbraw/zinc/59/14/51/377591451.db2.gz MFZKTRBMGYAMQT-WBVHZDCISA-N 0 3 285.391 2.317 20 30 CEEDHN COC(=O)[C@H](C)CN(C)[C@@H](C)c1ccc(C#N)cc1 ZINC000265528906 190188128 /nfs/dbraw/zinc/18/81/28/190188128.db2.gz PKCQSOVNUIDDQZ-NEPJUHHUSA-N 0 3 260.337 2.360 20 30 CEEDHN COc1cc(CN[C@H]2COCC2(C)C)ccc1C#N ZINC000313030143 249377775 /nfs/dbraw/zinc/37/77/75/249377775.db2.gz XGHLFZNUAQJKLS-AWEZNQCLSA-N 0 3 260.337 2.081 20 30 CEEDHN C=CCCN1CCN(CCc2cccs2)CC1 ZINC000265803835 190208090 /nfs/dbraw/zinc/20/80/90/190208090.db2.gz OJYPAKQIFYBDAF-UHFFFAOYSA-N 0 3 250.411 2.484 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CC(C)(C)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000332759750 377694195 /nfs/dbraw/zinc/69/41/95/377694195.db2.gz JEVWQHKONHMSOF-JKIFEVAISA-N 0 3 289.423 2.305 20 30 CEEDHN C=CCCCCN1CCCN(CC(=O)N(CC)CC)CC1 ZINC000565697483 377685973 /nfs/dbraw/zinc/68/59/73/377685973.db2.gz CVURAGLRYSZYRD-UHFFFAOYSA-N 0 3 295.471 2.219 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(C#N)CCCCC1 ZINC000332916366 377724012 /nfs/dbraw/zinc/72/40/12/377724012.db2.gz VKLUUBZNNUGRJL-JSGCOSHPSA-N 0 3 275.396 2.059 20 30 CEEDHN C=CCC(C)(C)CNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000432087021 377711973 /nfs/dbraw/zinc/71/19/73/377711973.db2.gz BNYHBIUSWCPNPN-HNNXBMFYSA-N 0 3 299.484 2.325 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccc[nH]1 ZINC000433366175 377790990 /nfs/dbraw/zinc/79/09/90/377790990.db2.gz QZYUPABRWPFQQT-CQSZACIVSA-N 0 3 267.332 2.403 20 30 CEEDHN C=CC[C@H]1N(C[C@@H]2CCS(=O)(=O)C2)CCCC1(C)C ZINC000434506362 377798033 /nfs/dbraw/zinc/79/80/33/377798033.db2.gz CEUYHHHGFFVOEO-UONOGXRCSA-N 0 3 285.453 2.488 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H](CO)CC2)s1 ZINC000293993553 377862368 /nfs/dbraw/zinc/86/23/68/377862368.db2.gz LTCRNVIFWFYOMG-NSHDSACASA-N 0 3 250.367 2.214 20 30 CEEDHN CC(C#N)C(=O)N(CCc1ccccn1)Cc1ccncc1 ZINC000438099358 377884282 /nfs/dbraw/zinc/88/42/82/377884282.db2.gz WGBVEKUTDWKOSE-CQSZACIVSA-N 0 3 294.358 2.208 20 30 CEEDHN CC(C)C(C)(C)CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000438300111 377895559 /nfs/dbraw/zinc/89/55/59/377895559.db2.gz PVZFDKDSAWTLJD-CQSZACIVSA-N 0 3 273.380 2.356 20 30 CEEDHN C[C@H](N(C)CC(=O)NCc1cccc(C#N)c1)C1(C)CC1 ZINC000437542232 377849390 /nfs/dbraw/zinc/84/93/90/377849390.db2.gz YKSOZDRTYUAWNT-ZDUSSCGKSA-N 0 3 285.391 2.295 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)NCCN1CCCC[C@H]1C ZINC000437603476 377854511 /nfs/dbraw/zinc/85/45/11/377854511.db2.gz OGJRFUGGXWBMQD-ZBFHGGJFSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CC[C@H](C)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000439956333 377929137 /nfs/dbraw/zinc/92/91/37/377929137.db2.gz HSVGTPUVXTZLDE-GXTWGEPZSA-N 0 3 250.386 2.474 20 30 CEEDHN CS(=O)(=O)Cc1ccccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442793315 377995898 /nfs/dbraw/zinc/99/58/98/377995898.db2.gz OGCIPZJOOIXJRO-WFASDCNBSA-N 0 3 292.404 2.013 20 30 CEEDHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@H]1CC[C@H](C#N)C1 ZINC000442818804 378003154 /nfs/dbraw/zinc/00/31/54/378003154.db2.gz IZWZLIMDGZQZOU-IPYPFGDCSA-N 0 3 296.374 2.067 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CC1(F)F)C(C)C ZINC000294980832 378033341 /nfs/dbraw/zinc/03/33/41/378033341.db2.gz RXZCNAQEGTXWIT-OLZOCXBDSA-N 0 3 286.366 2.456 20 30 CEEDHN C[C@@H]1CCN(CCCCC(C)(C)C#N)[C@@H](C(N)=O)C1 ZINC000444666472 378077821 /nfs/dbraw/zinc/07/78/21/378077821.db2.gz BARLBLULVKOMRK-CHWSQXEVSA-N 0 3 265.401 2.292 20 30 CEEDHN N#CCSCCCN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444717935 378078282 /nfs/dbraw/zinc/07/82/82/378078282.db2.gz JNAZTVDNOXSTCP-QWRGUYRKSA-N 0 3 296.358 2.268 20 30 CEEDHN CC#CCCNCc1cnn(-c2ccc(OC)cc2)c1 ZINC000449224450 378199339 /nfs/dbraw/zinc/19/93/39/378199339.db2.gz IEZGYFCWSKHQNH-UHFFFAOYSA-N 0 3 269.348 2.384 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc2c(c1)ncn2C ZINC000449519461 378214890 /nfs/dbraw/zinc/21/48/90/378214890.db2.gz MSQPGVDKRLKSKF-DOMZBBRYSA-N 0 3 257.337 2.006 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(-n2cccn2)cc1 ZINC000449516414 378215123 /nfs/dbraw/zinc/21/51/23/378215123.db2.gz APGDHKWMWSXMKQ-CVEARBPZSA-N 0 3 269.348 2.305 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)c(O)c(OC)c1 ZINC000449549636 378216608 /nfs/dbraw/zinc/21/66/08/378216608.db2.gz ZRPVQWKVJZRKAK-OLZOCXBDSA-N 0 3 293.363 2.233 20 30 CEEDHN C[C@@H](CO)[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC000295643086 378248462 /nfs/dbraw/zinc/24/84/62/378248462.db2.gz CHLGLCHGMGFFGS-NWDGAFQWSA-N 0 3 251.757 2.298 20 30 CEEDHN C=CCN(CCc1ccccc1)C[C@@H]1COCCO1 ZINC000450296109 378345178 /nfs/dbraw/zinc/34/51/78/378345178.db2.gz BTROBHULTJDDKX-MRXNPFEDSA-N 0 3 261.365 2.133 20 30 CEEDHN CC[C@](C)(CO)NC(=O)C(C#N)CCc1ccccc1 ZINC000450406688 378400120 /nfs/dbraw/zinc/40/01/20/378400120.db2.gz RYJZUNLIRVWUQN-GOEBONIOSA-N 0 3 274.364 2.036 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)NC1CC1 ZINC000296426078 378526784 /nfs/dbraw/zinc/52/67/84/378526784.db2.gz MWFLUFNSRZQNLA-GFCCVEGCSA-N 0 3 276.355 2.481 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(C)cc1C ZINC000296483765 378547775 /nfs/dbraw/zinc/54/77/75/378547775.db2.gz XOCSAJUMCSNXCY-UHFFFAOYSA-N 0 3 287.407 2.058 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCc2cc(C)ccc21 ZINC000296496816 378553157 /nfs/dbraw/zinc/55/31/57/378553157.db2.gz XXNALOIQYUOATQ-QGZVFWFLSA-N 0 3 299.418 2.237 20 30 CEEDHN C=CCC1(C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)CCCC1 ZINC000451606258 378721411 /nfs/dbraw/zinc/72/14/11/378721411.db2.gz NDRMMCCULURUDA-GJZGRUSLSA-N 0 3 294.439 2.300 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451654095 378723909 /nfs/dbraw/zinc/72/39/09/378723909.db2.gz OKLGHXSHSGGDET-QLFBSQMISA-N 0 3 287.407 2.006 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)cc2OC)C[C@@H]1C ZINC000347298136 218181777 /nfs/dbraw/zinc/18/17/77/218181777.db2.gz ZLMGTWDBPGOCNP-UONOGXRCSA-N 0 3 287.407 2.481 20 30 CEEDHN CC#CCCNC(=O)N(CCC)CCN1CCCCC1 ZINC000502119873 379067024 /nfs/dbraw/zinc/06/70/24/379067024.db2.gz YOSHDHIGQOVNPS-UHFFFAOYSA-N 0 3 279.428 2.307 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NCc1nc(C#N)cs1 ZINC000352833197 220264574 /nfs/dbraw/zinc/26/45/74/220264574.db2.gz GYMKYJLZWPZOGM-NSHDSACASA-N 0 3 266.414 2.081 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000266527995 190264314 /nfs/dbraw/zinc/26/43/14/190264314.db2.gz FESOESUMEBWVHB-ZIAGYGMSSA-N 0 3 285.391 2.295 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCN(C)CC1(C)C ZINC000347603826 218287831 /nfs/dbraw/zinc/28/78/31/218287831.db2.gz YHNQBZZFLCMLHW-UHFFFAOYSA-N 0 3 273.380 2.093 20 30 CEEDHN Cc1ccc(NCCN2CCC[C@H](C)C2)nc1C#N ZINC000302622032 379408081 /nfs/dbraw/zinc/40/80/81/379408081.db2.gz HCSADCHOVHMUAW-LBPRGKRZSA-N 0 3 258.369 2.406 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@@H](C)n2cccc2)CC1 ZINC000520691365 379499913 /nfs/dbraw/zinc/49/99/13/379499913.db2.gz KWIFDDSEISNIAE-CQSZACIVSA-N 0 3 275.396 2.206 20 30 CEEDHN C#CCN(C[C@H](O)COC(C)C)[C@@H]1CCc2ccccc21 ZINC000304520705 379584217 /nfs/dbraw/zinc/58/42/17/379584217.db2.gz XFYSQLXKBKLTJW-FUHWJXTLSA-N 0 3 287.403 2.395 20 30 CEEDHN N#Cc1cc(CN(CCCCO)C2CC2)ccc1F ZINC000305071623 379621949 /nfs/dbraw/zinc/62/19/49/379621949.db2.gz TXOOUXUBMYPNIV-UHFFFAOYSA-N 0 3 262.328 2.434 20 30 CEEDHN COC(C)(C)CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000527318045 379749615 /nfs/dbraw/zinc/74/96/15/379749615.db2.gz YACPDCWHWWQJQS-OAHLLOKOSA-N 0 3 299.374 2.124 20 30 CEEDHN C=CCN(C)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000487902767 380090297 /nfs/dbraw/zinc/09/02/97/380090297.db2.gz ACNSWZGAVKRVGD-STQMWFEESA-N 0 3 253.390 2.077 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C/c1ccc(C#N)cc1 ZINC000268143698 190380466 /nfs/dbraw/zinc/38/04/66/190380466.db2.gz DSYGTWFHFOJZBG-GNHYNBLFSA-N 0 3 295.386 2.170 20 30 CEEDHN CCC(C#N)(CC)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000528811414 380107500 /nfs/dbraw/zinc/10/75/00/380107500.db2.gz UUFBKENVVYBKRC-NWDGAFQWSA-N 0 3 263.385 2.058 20 30 CEEDHN CC1(C)OC[C@@H]2C[C@@]21NC(=O)C(C#N)CCc1ccccc1 ZINC000529790778 380186575 /nfs/dbraw/zinc/18/65/75/380186575.db2.gz CKNZZQJCXXIOBQ-RVKKMQEKSA-N 0 3 298.386 2.443 20 30 CEEDHN CCO[C@@]1(C)C[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000529854821 380188275 /nfs/dbraw/zinc/18/82/75/380188275.db2.gz IXOYOMJXUHYAHS-INMHGKMJSA-N 0 3 286.375 2.443 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCO[C@@H]2C(=C)C)CC1 ZINC000279043067 194261011 /nfs/dbraw/zinc/26/10/11/194261011.db2.gz OQCLZIZRVOOEJV-HZPDHXFCSA-N 0 3 292.423 2.124 20 30 CEEDHN Cc1c(Cl)cnc(NC[C@@H]2CCCN(C)C2)c1C#N ZINC000541280319 380270329 /nfs/dbraw/zinc/27/03/29/380270329.db2.gz HNTGKTGKJFLARA-NSHDSACASA-N 0 3 278.787 2.091 20 30 CEEDHN C[C@H]1CCN(CCNC(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000537472037 380240695 /nfs/dbraw/zinc/24/06/95/380240695.db2.gz NZPABKWJVJDPRE-AWEZNQCLSA-N 0 3 297.402 2.313 20 30 CEEDHN C[C@H]1CN(C(=O)C2(C#N)CCC2)CCN(C2CCC2)C1 ZINC000334337512 380274837 /nfs/dbraw/zinc/27/48/37/380274837.db2.gz VZXMTAADWOHBEC-CYBMUJFWSA-N 0 3 275.396 2.013 20 30 CEEDHN N#Cc1cscc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000334392817 380347679 /nfs/dbraw/zinc/34/76/79/380347679.db2.gz YNNPCZFAQQPBJY-CYBMUJFWSA-N 0 3 289.404 2.320 20 30 CEEDHN C[C@H]1C[C@H](N(C)C(=O)c2cscc2C#N)CCN1C ZINC000334482945 380476572 /nfs/dbraw/zinc/47/65/72/380476572.db2.gz XLMJUALBCJHLDX-CMPLNLGQSA-N 0 3 277.393 2.174 20 30 CEEDHN Cc1cc(C#N)cnc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000550775890 380628708 /nfs/dbraw/zinc/62/87/08/380628708.db2.gz STLXZNWVZVVNOP-AWEZNQCLSA-N 0 3 298.390 2.008 20 30 CEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000492819764 380700155 /nfs/dbraw/zinc/70/01/55/380700155.db2.gz QKBQNYGUQCADEJ-VXGBXAGGSA-N 0 3 295.383 2.052 20 30 CEEDHN C[C@@H]1[C@H](C)N(Cc2cccc(C#N)c2F)CCN1C ZINC000334749916 207014099 /nfs/dbraw/zinc/01/40/99/207014099.db2.gz ZOMKFBVJTUIZJR-NEPJUHHUSA-N 0 3 261.344 2.222 20 30 CEEDHN C[C@@H]1CN(C(=O)Cc2cccc(C#N)c2)CCN(C2CC2)C1 ZINC000556361678 380897624 /nfs/dbraw/zinc/89/76/24/380897624.db2.gz JZGHBJAJJXQKEP-AWEZNQCLSA-N 0 3 297.402 2.043 20 30 CEEDHN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(C)C#N ZINC000493628377 381097907 /nfs/dbraw/zinc/09/79/07/381097907.db2.gz HGLGYMGZLONTJQ-NWDGAFQWSA-N 0 3 297.399 2.346 20 30 CEEDHN C[C@@]1(CO)CCC[C@H]1NCC#Cc1ccc(F)cc1 ZINC000493710015 381142231 /nfs/dbraw/zinc/14/22/31/381142231.db2.gz RRCASGPGLSHPFE-CVEARBPZSA-N 0 3 261.340 2.318 20 30 CEEDHN C=CCOCCCN1CCCN(C(=O)OCC(C)C)CC1 ZINC000495577092 381178243 /nfs/dbraw/zinc/17/82/43/381178243.db2.gz BYSOQAZDJVEVMD-UHFFFAOYSA-N 0 3 298.427 2.379 20 30 CEEDHN C=CCOCCN(C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495790776 381185778 /nfs/dbraw/zinc/18/57/78/381185778.db2.gz AVJNCQVEHPQYIX-ZDUSSCGKSA-N 0 3 284.400 2.130 20 30 CEEDHN C=C(CC)CN1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000495814055 381188741 /nfs/dbraw/zinc/18/87/41/381188741.db2.gz LLUSVEKEWKVAQL-LSDHHAIUSA-N 0 3 296.411 2.322 20 30 CEEDHN C=CCOCCN(C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000495868309 381190060 /nfs/dbraw/zinc/19/00/60/381190060.db2.gz KAADPBVABQTGRA-UHFFFAOYSA-N 0 3 284.400 2.177 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495913643 381190238 /nfs/dbraw/zinc/19/02/38/381190238.db2.gz WSLXNUCJVFMVPQ-UTUOFQBUSA-N 0 3 295.383 2.050 20 30 CEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000496081731 381197151 /nfs/dbraw/zinc/19/71/51/381197151.db2.gz LZOKKGJVVMCZMS-LBPRGKRZSA-N 0 3 272.389 2.034 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000336583072 533114558 /nfs/dbraw/zinc/11/45/58/533114558.db2.gz WHRXMDYWHUGJGV-NWDGAFQWSA-N 0 3 250.342 2.144 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000347035788 533115420 /nfs/dbraw/zinc/11/54/20/533115420.db2.gz LHMQDORVAIPSNX-WFASDCNBSA-N 0 3 265.316 2.447 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000347755953 533115925 /nfs/dbraw/zinc/11/59/25/533115925.db2.gz QQKVRXUOTJKYIO-RYUDHWBXSA-N 0 3 268.320 2.209 20 30 CEEDHN C=CCSCCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000171201516 335059189 /nfs/dbraw/zinc/05/91/89/335059189.db2.gz UZFQLWAHADNTOJ-AWEZNQCLSA-N 0 3 299.484 2.325 20 30 CEEDHN C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000007016111 260024889 /nfs/dbraw/zinc/02/48/89/260024889.db2.gz OQQHMMLTYWMVPA-BLLLJJGKSA-N 0 3 271.364 2.146 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000521038650 260024912 /nfs/dbraw/zinc/02/49/12/260024912.db2.gz CNUIAWUZNFCSBY-DZKIICNBSA-N 0 3 277.412 2.305 20 30 CEEDHN COc1cc(C)c([C@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347075457 533612711 /nfs/dbraw/zinc/61/27/11/533612711.db2.gz SDJQUESVAOQDDY-MNOVXSKESA-N 0 3 276.336 2.349 20 30 CEEDHN Cn1cc(CNC[C@](C)(O)C2CCCCC2)cc1C#N ZINC000191672279 130276041 /nfs/dbraw/zinc/27/60/41/130276041.db2.gz RYMIFUNASCWNRP-INIZCTEOSA-N 0 3 275.396 2.318 20 30 CEEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000347710281 285461438 /nfs/dbraw/zinc/46/14/38/285461438.db2.gz SONLVSHDXKSKRA-KBPBESRZSA-N 0 3 257.381 2.473 20 30 CEEDHN N#Cc1ccc(CNCCC(=O)N2CCCCCC2)cc1 ZINC000238039082 131073276 /nfs/dbraw/zinc/07/32/76/131073276.db2.gz UIMSGNUKHKRJKA-UHFFFAOYSA-N 0 3 285.391 2.441 20 30 CEEDHN C=C(C)CO/N=C/c1ccc(N2CCOCC2)cc1 ZINC000092891151 135077359 /nfs/dbraw/zinc/07/73/59/135077359.db2.gz NMYARHGKSOJNFS-LFIBNONCSA-N 0 3 260.337 2.450 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)C[C@H]1CSCCN1 ZINC000236658804 394485936 /nfs/dbraw/zinc/48/59/36/394485936.db2.gz KBJJJHJCWZWUPP-LBPRGKRZSA-N 0 3 296.461 2.358 20 30 CEEDHN C[C@H](O)[C@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000305156467 394496104 /nfs/dbraw/zinc/49/61/04/394496104.db2.gz CPUVSOKMBMZCKT-ZFWWWQNUSA-N 0 3 274.364 2.030 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CC)(CO)CC1 ZINC000305696587 394508891 /nfs/dbraw/zinc/50/88/91/394508891.db2.gz CCTCGPFNYTYJQP-OAHLLOKOSA-N 0 3 296.455 2.284 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@@]1(C)CCCOC1 ZINC000329103320 394560463 /nfs/dbraw/zinc/56/04/63/394560463.db2.gz CAVKGLVBBRVDHV-YCPHGPKFSA-N 0 3 297.443 2.180 20 30 CEEDHN Cn1ccc(CCNC(=O)[C@@H]2CCCN2C2CCCC2)n1 ZINC000329442133 394564139 /nfs/dbraw/zinc/56/41/39/394564139.db2.gz BNCWUGPRLFVWAY-HNNXBMFYSA-N 0 3 290.411 2.326 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2conc2C2CC2)CCN1C ZINC000329517014 394569686 /nfs/dbraw/zinc/56/96/86/394569686.db2.gz MYXZFYLROFDLSQ-MWLCHTKSSA-N 0 3 263.341 2.339 20 30 CEEDHN O=C(NC1CCC2(CC2)CC1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329593962 394575651 /nfs/dbraw/zinc/57/56/51/394575651.db2.gz HRTKXQQEYZBQCB-GFCCVEGCSA-N 0 3 288.395 2.493 20 30 CEEDHN O=C(NC1CCC2(CC2)CC1)N[C@@H]1CCc2[nH]cnc2C1 ZINC000329593962 394575656 /nfs/dbraw/zinc/57/56/56/394575656.db2.gz HRTKXQQEYZBQCB-GFCCVEGCSA-N 0 3 288.395 2.493 20 30 CEEDHN C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)CCO1 ZINC000329653115 394579958 /nfs/dbraw/zinc/57/99/58/394579958.db2.gz LGXWCOJDSHTKBE-KBUPBQIOSA-N 0 3 297.443 2.178 20 30 CEEDHN N#Cc1ccc(CNCc2cccnc2-n2ccnc2)cc1 ZINC000048711372 394524196 /nfs/dbraw/zinc/52/41/96/394524196.db2.gz VZXWJJUHKMWAQD-UHFFFAOYSA-N 0 3 289.342 2.429 20 30 CEEDHN CC1(C)CCCN1CCNc1ncc(C#N)cc1F ZINC000413314026 394524563 /nfs/dbraw/zinc/52/45/63/394524563.db2.gz HYPZSAYASLRYEP-UHFFFAOYSA-N 0 3 262.332 2.379 20 30 CEEDHN CCC1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000048907991 394536735 /nfs/dbraw/zinc/53/67/35/394536735.db2.gz CPYAKCKDAZQACF-INIZCTEOSA-N 0 3 288.391 2.420 20 30 CEEDHN C=CCNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000050137116 394553824 /nfs/dbraw/zinc/55/38/24/394553824.db2.gz OYWNQMONPMGTHA-CYBMUJFWSA-N 0 3 293.436 2.445 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000328912040 394556619 /nfs/dbraw/zinc/55/66/19/394556619.db2.gz GXRGCHJTWVGUBD-JULQROHOSA-N 0 3 279.384 2.181 20 30 CEEDHN C[C@@H]1CC(=O)N[C@H](C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000328929600 394557147 /nfs/dbraw/zinc/55/71/47/394557147.db2.gz YQXXNTNPMHXGSG-COPLHBTASA-N 0 3 299.440 2.135 20 30 CEEDHN O=C(N[C@@H]1CCn2ccnc2C1)[C@@H](C1CC1)N1CCCC1 ZINC000330260415 394600559 /nfs/dbraw/zinc/60/05/59/394600559.db2.gz SPCQVEQXMCVHAG-UKRRQHHQSA-N 0 3 288.395 2.029 20 30 CEEDHN CC1(O)CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000330463068 394613007 /nfs/dbraw/zinc/61/30/07/394613007.db2.gz SXADFIBJKKPPKU-HNNXBMFYSA-N 0 3 286.375 2.132 20 30 CEEDHN C[C@](O)(CNC(=N)Nc1cc(F)ccc1F)C(F)(F)F ZINC000262271547 394615642 /nfs/dbraw/zinc/61/56/42/394615642.db2.gz ILTBEJIUYMFCDF-JTQLQIEISA-N 0 3 297.227 2.005 20 30 CEEDHN CCN1CCC[C@H](NC(=O)c2cccc(NC(C)=O)c2)C1 ZINC000330502656 394615583 /nfs/dbraw/zinc/61/55/83/394615583.db2.gz CLSYZQDDZGIJKL-HNNXBMFYSA-N 0 3 289.379 2.434 20 30 CEEDHN CC(C)C[C@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000331696037 394632004 /nfs/dbraw/zinc/63/20/04/394632004.db2.gz UOWFDZFVQBDEHD-GDBMZVCRSA-N 0 3 277.412 2.305 20 30 CEEDHN N#CCc1ccc(C(=O)NCCN2CCCCCC2)cc1 ZINC000270236322 394729161 /nfs/dbraw/zinc/72/91/61/394729161.db2.gz JGBPXWFESNFNID-UHFFFAOYSA-N 0 3 285.391 2.358 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(CC#N)cc1 ZINC000270302126 394730954 /nfs/dbraw/zinc/73/09/54/394730954.db2.gz XAOKZURTGSOVNH-AWEZNQCLSA-N 0 3 285.391 2.357 20 30 CEEDHN C[C@@H](CNC(=O)C(C)(C)C#N)N(C)Cc1ccccc1 ZINC000110350539 394736274 /nfs/dbraw/zinc/73/62/74/394736274.db2.gz VKCGGJPSMJEHGV-ZDUSSCGKSA-N 0 3 273.380 2.173 20 30 CEEDHN CC(C#N)C(=O)NCc1cc(F)cc(Br)c1 ZINC000335149456 394744095 /nfs/dbraw/zinc/74/40/95/394744095.db2.gz QHEQDKMSKGJSHT-SSDOTTSWSA-N 0 3 285.116 2.364 20 30 CEEDHN CC[C@@H](NCc1cccc(C#N)c1)[C@H](O)C(F)(F)F ZINC000271041732 394745334 /nfs/dbraw/zinc/74/53/34/394745334.db2.gz ZUUNAGJSTLRMCY-NEPJUHHUSA-N 0 3 272.270 2.350 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCN(C)[C@@H](C)[C@@H]1C ZINC000357038030 394688823 /nfs/dbraw/zinc/68/88/23/394688823.db2.gz MHLPFZNEYRKEBT-STQMWFEESA-N 0 3 273.380 2.091 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCN(C)[C@H](C)[C@@H]1C ZINC000357038025 394689148 /nfs/dbraw/zinc/68/91/48/394689148.db2.gz MHLPFZNEYRKEBT-OLZOCXBDSA-N 0 3 273.380 2.091 20 30 CEEDHN CN(C)C[C@@H]1CCCN1c1ncc(C#N)cc1Cl ZINC000268166862 394689764 /nfs/dbraw/zinc/68/97/64/394689764.db2.gz KGIANBFCGMROPN-NSHDSACASA-N 0 3 264.760 2.137 20 30 CEEDHN CC(C)[C@@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)CCN1C ZINC000357708734 394703086 /nfs/dbraw/zinc/70/30/86/394703086.db2.gz TYGIOUBYGDMQOH-HNNXBMFYSA-N 0 3 288.351 2.243 20 30 CEEDHN CC(C#N)C(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000358309491 394717374 /nfs/dbraw/zinc/71/73/74/394717374.db2.gz LAIKLFVROBPTON-OIBJUYFYSA-N 0 3 287.146 2.303 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000358309492 394717511 /nfs/dbraw/zinc/71/75/11/394717511.db2.gz LAIKLFVROBPTON-XCBNKYQSSA-N 0 3 287.146 2.303 20 30 CEEDHN C=C(CC)CN(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000358626312 394726117 /nfs/dbraw/zinc/72/61/17/394726117.db2.gz RLOKGHGHCIOKRH-LBPRGKRZSA-N 0 3 282.409 2.293 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2Cc3ccccc32)CC1 ZINC000359408210 394752320 /nfs/dbraw/zinc/75/23/20/394752320.db2.gz KEDMCQYIOHRZPM-KRWDZBQOSA-N 0 3 284.403 2.483 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(CC1CC1)CC1CC1 ZINC000115563999 394754456 /nfs/dbraw/zinc/75/44/56/394754456.db2.gz JMFRSIAIOQBEJV-CYBMUJFWSA-N 0 3 277.412 2.117 20 30 CEEDHN C=CCCCCCN(C)C(=O)NC[C@H]1CCCN1C ZINC000119739831 394771841 /nfs/dbraw/zinc/77/18/41/394771841.db2.gz OXXUBJBWIMEGKA-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN CC[C@H](C(=O)N(C[C@@H](C)C#N)C1CC1)N(CC)CC ZINC000359688710 394772569 /nfs/dbraw/zinc/77/25/69/394772569.db2.gz ZRDHXHQNSAJGSX-GXTWGEPZSA-N 0 3 265.401 2.257 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000359940989 394781352 /nfs/dbraw/zinc/78/13/52/394781352.db2.gz RIPSYOSHHLXXNY-GFCCVEGCSA-N 0 3 282.259 2.236 20 30 CEEDHN N#CCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000359981914 394782474 /nfs/dbraw/zinc/78/24/74/394782474.db2.gz AXFBXDKPAQXMKA-MRXNPFEDSA-N 0 3 285.391 2.461 20 30 CEEDHN CC#CCNC1(C(=O)N(CC)CC)CCCCC1 ZINC000121150044 394792665 /nfs/dbraw/zinc/79/26/65/394792665.db2.gz BFGPFWRZPBVLMP-UHFFFAOYSA-N 0 3 250.386 2.171 20 30 CEEDHN CC#CCCN1CCC2(C[C@@H]2C(=O)N(C)C2CC2)CC1 ZINC000363787504 394885298 /nfs/dbraw/zinc/88/52/98/394885298.db2.gz JGVSBDHHECNIQA-OAHLLOKOSA-N 0 3 274.408 2.123 20 30 CEEDHN C=CCN1CCC[C@H](C(=O)Nc2ncccc2C)C1 ZINC000363642230 394882378 /nfs/dbraw/zinc/88/23/78/394882378.db2.gz XNUUJHGWUORFBO-ZDUSSCGKSA-N 0 3 259.353 2.227 20 30 CEEDHN CC(C#N)C(=O)NCc1nc2cccc(Cl)c2n1C ZINC000336346451 394845080 /nfs/dbraw/zinc/84/50/80/394845080.db2.gz WQRXUPAADJXWDJ-MRVPVSSYSA-N 0 3 276.727 2.003 20 30 CEEDHN CC(C#N)C(=O)N1CCC(Cc2cccnc2)CC1 ZINC000336369701 394848553 /nfs/dbraw/zinc/84/85/53/394848553.db2.gz YCSLJQHBPUQZHW-LBPRGKRZSA-N 0 3 257.337 2.022 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2CCCCCC[C@@H]21 ZINC000362221247 394850081 /nfs/dbraw/zinc/85/00/81/394850081.db2.gz ORIMHMKTNFZWND-MJBXVCDLSA-N 0 3 293.411 2.041 20 30 CEEDHN CN(Cc1cnc2ccc(C#N)cn12)[C@@H]1CCSC1 ZINC000130535856 394889727 /nfs/dbraw/zinc/88/97/27/394889727.db2.gz LOTLLBXEOLHECC-GFCCVEGCSA-N 0 3 272.377 2.143 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(C)C[C@H]1CCCN(C)C1)OCC ZINC000339221899 394953454 /nfs/dbraw/zinc/95/34/54/394953454.db2.gz NYSWNUKKELSHJQ-GJZGRUSLSA-N 0 3 282.428 2.158 20 30 CEEDHN C[C@@H](C1CCCCC1)N(C)CC(=O)NC1(C#N)CCC1 ZINC000338352659 394916265 /nfs/dbraw/zinc/91/62/65/394916265.db2.gz XVRQDSPDFNQZPT-ZDUSSCGKSA-N 0 3 277.412 2.449 20 30 CEEDHN C[C@H](C1CCCCC1)N(C)CC(=O)NC1(C#N)CCC1 ZINC000338352658 394916744 /nfs/dbraw/zinc/91/67/44/394916744.db2.gz XVRQDSPDFNQZPT-CYBMUJFWSA-N 0 3 277.412 2.449 20 30 CEEDHN Cc1cc(C#N)cc(N2CC[C@@]3(C2)CCCN(C)C3)n1 ZINC000338746734 394928037 /nfs/dbraw/zinc/92/80/37/394928037.db2.gz QNEFGEQGBVSPET-INIZCTEOSA-N 0 3 270.380 2.184 20 30 CEEDHN CC#CCN[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000283644181 394936401 /nfs/dbraw/zinc/93/64/01/394936401.db2.gz AUURLYMCIQNIFZ-CABCVRRESA-N 0 3 264.319 2.323 20 30 CEEDHN C=CCOCCNC1(C(=O)N(CC)CC)CCCCC1 ZINC000339036373 394937292 /nfs/dbraw/zinc/93/72/92/394937292.db2.gz JKBGRQFFBKCKJV-UHFFFAOYSA-N 0 3 282.428 2.350 20 30 CEEDHN C=CCOc1ccc(CNC[C@]2(O)CCOC2)cc1Cl ZINC000339059531 394939544 /nfs/dbraw/zinc/93/95/44/394939544.db2.gz UVCXLZPSSFEHGD-OAHLLOKOSA-N 0 3 297.782 2.146 20 30 CEEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc2c(c1)NC(=O)CO2 ZINC000339070516 394940240 /nfs/dbraw/zinc/94/02/40/394940240.db2.gz ZGWCHJKMAIPONI-GVXVVHGQSA-N 0 3 285.347 2.360 20 30 CEEDHN C[C@H](NCCOCCC#N)c1ccccc1-n1cccn1 ZINC000339069841 394940745 /nfs/dbraw/zinc/94/07/45/394940745.db2.gz XJSODUUYBKYXAF-AWEZNQCLSA-N 0 3 284.363 2.453 20 30 CEEDHN C[C@H]1C[C@@H](c2cccnc2)N(CCOCCC#N)C1 ZINC000339088152 394941816 /nfs/dbraw/zinc/94/18/16/394941816.db2.gz BDXKHNNLNCSQEX-ZFWWWQNUSA-N 0 3 259.353 2.395 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366532892 394947970 /nfs/dbraw/zinc/94/79/70/394947970.db2.gz FVFIZJJAXIXKNY-ZIAGYGMSSA-N 0 3 278.396 2.341 20 30 CEEDHN C=CCCOCCN[C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000285913254 394983662 /nfs/dbraw/zinc/98/36/62/394983662.db2.gz BZOBSPQTGDQKQV-GFCCVEGCSA-N 0 3 290.363 2.261 20 30 CEEDHN CN(Cc1ccccc1)[C@@H]1CCN(c2cnc(C#N)cn2)C1 ZINC000368366366 394985771 /nfs/dbraw/zinc/98/57/71/394985771.db2.gz BZKASFRRAWKBDE-MRXNPFEDSA-N 0 3 293.374 2.059 20 30 CEEDHN C=CCC[C@@H](NC[C@@]1(O)CCOC1)c1ccco1 ZINC000285961530 394992281 /nfs/dbraw/zinc/99/22/81/394992281.db2.gz FMUBJKPPKVXEQI-OCCSQVGLSA-N 0 3 251.326 2.028 20 30 CEEDHN N#CC1(NC(=O)CN2C[C@@H]3CCC[C@@H]3C2)CCCCC1 ZINC000152713548 394998046 /nfs/dbraw/zinc/99/80/46/394998046.db2.gz QKLCDVGJTLSUAT-OKILXGFUSA-N 0 3 275.396 2.061 20 30 CEEDHN C=CCN[C@@](C)(CO)c1ccc(Br)cc1 ZINC000286499061 395022873 /nfs/dbraw/zinc/02/28/73/395022873.db2.gz MHLRHAITGQJHIR-LBPRGKRZSA-N 0 3 270.170 2.432 20 30 CEEDHN C=CCCOCCCCC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000342828835 395023323 /nfs/dbraw/zinc/02/33/23/395023323.db2.gz BJPODKHLCJEDPR-OAHLLOKOSA-N 0 3 282.428 2.302 20 30 CEEDHN C=CCc1cc(CN2CCC[C@@H](CO)C2)cc(OC)c1O ZINC000154614252 395023493 /nfs/dbraw/zinc/02/34/93/395023493.db2.gz CSEDSZAVCYSNMO-CYBMUJFWSA-N 0 3 291.391 2.334 20 30 CEEDHN C#CCCOc1ccc(CN2CCC[C@H](CO)C2)cc1 ZINC000154599882 395023625 /nfs/dbraw/zinc/02/36/25/395023625.db2.gz DDSWLMMZEKHZFR-INIZCTEOSA-N 0 3 273.376 2.293 20 30 CEEDHN CCN1CC[C@@H]2OCCN(CCCC(C)(C)C#N)[C@@H]2C1 ZINC000339389502 394958201 /nfs/dbraw/zinc/95/82/01/394958201.db2.gz CRUVDNBICQDKSX-CABCVRRESA-N 0 3 279.428 2.111 20 30 CEEDHN C#CCN(CCCn1ccnc1)Cc1ccccc1 ZINC000285650544 394962443 /nfs/dbraw/zinc/96/24/43/394962443.db2.gz LRNDWPPXLPVIAW-UHFFFAOYSA-N 0 3 253.349 2.409 20 30 CEEDHN CC(C)(C)[C@@H](NCc1ccccc1C(C)(C)C#N)C(N)=O ZINC000135203404 394963716 /nfs/dbraw/zinc/96/37/16/394963716.db2.gz UVKAPNPFDLXYCC-AWEZNQCLSA-N 0 3 287.407 2.477 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCC[C@H](OC)C2)CC1 ZINC000340000419 394976716 /nfs/dbraw/zinc/97/67/16/394976716.db2.gz YQPDRRNXXXRBSA-HOCLYGCPSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCCCC(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC000372939846 395050015 /nfs/dbraw/zinc/05/00/15/395050015.db2.gz IQHHEFRBWFGIGX-HOTGVXAUSA-N 0 3 270.376 2.004 20 30 CEEDHN C(#Cc1ccccc1)CN[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000373073256 395053438 /nfs/dbraw/zinc/05/34/38/395053438.db2.gz CHTSXRNGYHXAKF-MOPGFXCFSA-N 0 3 298.430 2.271 20 30 CEEDHN C=CCNC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000416398216 395059760 /nfs/dbraw/zinc/05/97/60/395059760.db2.gz MESXQSSTTATWOO-SECBINFHSA-N 0 3 269.226 2.010 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)C2(C#N)CCC2)CCN1Cc1ccccc1 ZINC000288432466 395060088 /nfs/dbraw/zinc/06/00/88/395060088.db2.gz XYDJNORTVHQVSI-ZBFHGGJFSA-N 0 3 297.402 2.459 20 30 CEEDHN CSC[C@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425529862 395061495 /nfs/dbraw/zinc/06/14/95/395061495.db2.gz CTLMQFLCLCOEOA-SMDDNHRTSA-N 0 3 264.394 2.275 20 30 CEEDHN C=CCOCCCC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000345567721 395069781 /nfs/dbraw/zinc/06/97/81/395069781.db2.gz KVBDLGJCKBVVAH-CQSZACIVSA-N 0 3 282.428 2.158 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000345691563 395073310 /nfs/dbraw/zinc/07/33/10/395073310.db2.gz AYAXOJYXEBKLIA-PMPSAXMXSA-N 0 3 294.439 2.204 20 30 CEEDHN CCN(CC)C(=O)[C@H]1CCCN1CCC(C)(C)C#N ZINC000345749737 395075183 /nfs/dbraw/zinc/07/51/83/395075183.db2.gz YRUOQOLSPAFBFW-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](N)CC(F)F ZINC000345767995 395075939 /nfs/dbraw/zinc/07/59/39/395075939.db2.gz WOUYSFNKKWDYRP-SNVBAGLBSA-N 0 3 274.336 2.245 20 30 CEEDHN C#C[C@H](NCc1ccc(O[C@@H](C)C(=O)OC)cc1)C(C)C ZINC000289518751 395079486 /nfs/dbraw/zinc/07/94/86/395079486.db2.gz PDQYAUVVCXIZGY-BBRMVZONSA-N 0 3 289.375 2.374 20 30 CEEDHN CN(C)CCOc1cccc(NC(=O)C2(C#N)CCC2)c1 ZINC000345987571 395084299 /nfs/dbraw/zinc/08/42/99/395084299.db2.gz SILAAYPNYLTLMN-UHFFFAOYSA-N 0 3 287.363 2.259 20 30 CEEDHN C=CCCN(C)Cc1cc(OC)c(O)c(OC)c1 ZINC000289848043 395088760 /nfs/dbraw/zinc/08/87/60/395088760.db2.gz VEBXJXWJRKHLST-UHFFFAOYSA-N 0 3 251.326 2.417 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(OC)c(COC)c1 ZINC000289857709 395089834 /nfs/dbraw/zinc/08/98/34/395089834.db2.gz QUMFJNGUPZIXIL-FZMZJTMJSA-N 0 3 265.353 2.039 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000289911261 395090503 /nfs/dbraw/zinc/09/05/03/395090503.db2.gz XYJKYGZMCPXMMK-IBGZPJMESA-N 0 3 298.430 2.212 20 30 CEEDHN C=CCC[C@@H](O)CN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346209886 395091193 /nfs/dbraw/zinc/09/11/93/395091193.db2.gz OEKRYHGVRGRWAP-CHWSQXEVSA-N 0 3 277.368 2.063 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CC1CCCC1 ZINC000346259841 395093049 /nfs/dbraw/zinc/09/30/49/395093049.db2.gz KWVLJWXSBAYLIV-LBPRGKRZSA-N 0 3 263.385 2.059 20 30 CEEDHN CC#CCCN1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000156614723 395033040 /nfs/dbraw/zinc/03/30/40/395033040.db2.gz OQSRBFFQGQRZFI-ZDUSSCGKSA-N 0 3 251.370 2.454 20 30 CEEDHN C=CCN(CCOC)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000416224393 395033666 /nfs/dbraw/zinc/03/36/66/395033666.db2.gz HNYJHSJWHRMWAI-MRXNPFEDSA-N 0 3 290.407 2.340 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000343362413 395038217 /nfs/dbraw/zinc/03/82/17/395038217.db2.gz JBWPJQRYHCHIKW-KWCYVHTRSA-N 0 3 258.321 2.040 20 30 CEEDHN C[C@@H]1CN(CCCNc2c(C#N)cccc2C#N)CCCO1 ZINC000436377518 395113318 /nfs/dbraw/zinc/11/33/18/395113318.db2.gz NGAAXZYDWBDEFB-CQSZACIVSA-N 0 3 298.390 2.343 20 30 CEEDHN CN(C)C(=O)CC1CCN(CCC(C)(C)C#N)CC1 ZINC000346943699 395115083 /nfs/dbraw/zinc/11/50/83/395115083.db2.gz MBDCMTZLSPVDPM-UHFFFAOYSA-N 0 3 265.401 2.117 20 30 CEEDHN N#CCCN(CCC#N)C(=O)CN1CCCC12CCCC2 ZINC000376440684 395120638 /nfs/dbraw/zinc/12/06/38/395120638.db2.gz GZEAFIJZCKUIFN-UHFFFAOYSA-N 0 3 288.395 2.051 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000427597591 395123972 /nfs/dbraw/zinc/12/39/72/395123972.db2.gz WEAGQUVFTAZGBD-SNPRPXQTSA-N 0 3 272.348 2.400 20 30 CEEDHN C[C@@H](C#N)Oc1ccc(CN2CC([C@H]3CCOC3)C2)cc1 ZINC000376021477 395107712 /nfs/dbraw/zinc/10/77/12/395107712.db2.gz MJFLGSGRKKRSTM-ZFWWWQNUSA-N 0 3 286.375 2.446 20 30 CEEDHN CN(CC1CCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348242466 395139991 /nfs/dbraw/zinc/13/99/91/395139991.db2.gz KETJMJNJKAQIQJ-MRXNPFEDSA-N 0 3 281.359 2.499 20 30 CEEDHN C=CCOCCCN1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000348051659 395134636 /nfs/dbraw/zinc/13/46/36/395134636.db2.gz LTUQSYYVAHXRNK-RYUDHWBXSA-N 0 3 281.318 2.357 20 30 CEEDHN N#Cc1cccc(OCCN2CC[C@H](n3cccn3)C2)c1 ZINC000291640546 395147925 /nfs/dbraw/zinc/14/79/25/395147925.db2.gz DRPWSZZZUNCDOK-HNNXBMFYSA-N 0 3 282.347 2.081 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@H](O)[C@@H](C)C1 ZINC000428462908 395148059 /nfs/dbraw/zinc/14/80/59/395148059.db2.gz MHBXGRYPNDLQKP-ZFWWWQNUSA-N 0 3 261.365 2.454 20 30 CEEDHN N#CC1(NC(=O)CCN2CCc3ccccc3C2)CCCC1 ZINC000348882981 395154121 /nfs/dbraw/zinc/15/41/21/395154121.db2.gz BGIVJLBFWYGTAE-UHFFFAOYSA-N 0 3 297.402 2.387 20 30 CEEDHN CC(C#N)C(=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000349581407 395171825 /nfs/dbraw/zinc/17/18/25/395171825.db2.gz NKFGPYYGIWLJKB-ZFWWWQNUSA-N 0 3 272.348 2.006 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000293404776 395232564 /nfs/dbraw/zinc/23/25/64/395232564.db2.gz RPSNXPMZULVJJR-WMLDXEAASA-N 0 3 284.403 2.176 20 30 CEEDHN C=CCN1CC[C@@H](N(CC)[C@@H]2CCOC(C)(C)C2)C1=O ZINC000351920333 395239880 /nfs/dbraw/zinc/23/98/80/395239880.db2.gz ZRXFPQHXBKGHSO-ZIAGYGMSSA-N 0 3 280.412 2.053 20 30 CEEDHN C=CCOCCN1CCCN(c2ccccc2)CC1 ZINC000293632099 395245391 /nfs/dbraw/zinc/24/53/91/395245391.db2.gz WVOUPVPFWVBZJN-UHFFFAOYSA-N 0 3 260.381 2.401 20 30 CEEDHN C=CCNC(=O)C(C)S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000350184092 395183825 /nfs/dbraw/zinc/18/38/25/395183825.db2.gz LTYYIAFUSKCOPA-GXTWGEPZSA-N 0 3 295.404 2.243 20 30 CEEDHN C#CCN(C1CCCC1)[C@H]1CCCN(C(C)C)C1=O ZINC000179303765 395189633 /nfs/dbraw/zinc/18/96/33/395189633.db2.gz ISRZMCAIWGBEFT-HNNXBMFYSA-N 0 3 262.397 2.264 20 30 CEEDHN COC(=O)C[C@@](C)(NCCCC#N)c1cccc(OC)c1 ZINC000352420656 395251269 /nfs/dbraw/zinc/25/12/69/395251269.db2.gz FINGFOXWNMTTAP-MRXNPFEDSA-N 0 3 290.363 2.367 20 30 CEEDHN C=C(C)CCN1CCSC[C@@H]1c1cnn(C)c1 ZINC000352415664 395251408 /nfs/dbraw/zinc/25/14/08/395251408.db2.gz YUFVMSRKZLNDPE-CYBMUJFWSA-N 0 3 251.399 2.476 20 30 CEEDHN CC#CCN(C)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000293121354 395219483 /nfs/dbraw/zinc/21/94/83/395219483.db2.gz MHQMBRLJKRPZHG-SFHVURJKSA-N 0 3 286.419 2.233 20 30 CEEDHN C[S@](=O)C[C@@H](NCCCCC#N)c1ccccc1 ZINC000183117213 395252844 /nfs/dbraw/zinc/25/28/44/395252844.db2.gz CSBCNZUGNGVWKR-KDOFPFPSSA-N 0 3 264.394 2.390 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCN(C2CCOCC2)CC1 ZINC000186248731 395288483 /nfs/dbraw/zinc/28/84/83/395288483.db2.gz MFDYVGGWGCHPLO-UHFFFAOYSA-N 0 3 299.418 2.163 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000352539809 395261523 /nfs/dbraw/zinc/26/15/23/395261523.db2.gz CXSVNRHOGBYSBV-KBPBESRZSA-N 0 3 267.417 2.467 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(C)nc2ccccc21 ZINC000294123234 395265197 /nfs/dbraw/zinc/26/51/97/395265197.db2.gz ZWXLCVKHZWMOQE-UHFFFAOYSA-N 0 3 295.386 2.228 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC(C)(C)CCC#N)CC1 ZINC000352907680 395275615 /nfs/dbraw/zinc/27/56/15/395275615.db2.gz FXGVOKNNEYIZQP-UHFFFAOYSA-N 0 3 292.427 2.266 20 30 CEEDHN C=C[C@](C)(O)CC(=O)Nc1ccc(CN(C)C)cc1F ZINC000412562609 395361475 /nfs/dbraw/zinc/36/14/75/395361475.db2.gz XGEQWQIKEQJRMJ-HNNXBMFYSA-N 0 3 280.343 2.153 20 30 CEEDHN CN(C)CCN(CC1CCCCC1)c1cncc(C#N)n1 ZINC000420609269 395385690 /nfs/dbraw/zinc/38/56/90/395385690.db2.gz JZBSNEGBYQTLPF-UHFFFAOYSA-N 0 3 287.411 2.297 20 30 CEEDHN COc1cc(CN2C[C@H](C)N(C)C[C@@H]2C)ccc1C#N ZINC000442843388 395396399 /nfs/dbraw/zinc/39/63/99/395396399.db2.gz SLBSSKYSSHFTNF-STQMWFEESA-N 0 3 273.380 2.091 20 30 CEEDHN C[C@@H](CCC#N)N1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000411696594 395335389 /nfs/dbraw/zinc/33/53/89/395335389.db2.gz QTRMWXDJRAENPU-UONOGXRCSA-N 0 3 289.379 2.414 20 30 CEEDHN CCN(CCOCCO)CCC1(C#N)CCCCC1 ZINC000411698294 395335518 /nfs/dbraw/zinc/33/55/18/395335518.db2.gz WZXMUHNORDKYQR-UHFFFAOYSA-N 0 3 268.401 2.181 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)Cc1cccs1 ZINC000411786260 395339088 /nfs/dbraw/zinc/33/90/88/395339088.db2.gz JQNPVJUNLIMVFE-KGLIPLIRSA-N 0 3 294.420 2.030 20 30 CEEDHN C[C@H](C#N)CN(C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)C1CC1 ZINC000412211974 395352417 /nfs/dbraw/zinc/35/24/17/395352417.db2.gz IVYQWJTXQWJRTM-SYQHCUMBSA-N 0 3 277.412 2.398 20 30 CEEDHN COCCN1CCC(Nc2nc(C)cc(C)c2C#N)CC1 ZINC000194957768 395455273 /nfs/dbraw/zinc/45/52/73/395455273.db2.gz UGPZWGSDJMUKCN-UHFFFAOYSA-N 0 3 288.395 2.093 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)Cc2cccc(C#N)c2)CCN1C ZINC000531152711 395458358 /nfs/dbraw/zinc/45/83/58/395458358.db2.gz UINMZZLPXOYLNL-CZUORRHYSA-N 0 3 285.391 2.042 20 30 CEEDHN CS(=O)(=O)[C@H]1CCC[C@H](NCc2cc(C#N)cs2)C1 ZINC000531355954 395458507 /nfs/dbraw/zinc/45/85/07/395458507.db2.gz AWILIIKLSDXASC-AAEUAGOBSA-N 0 3 298.433 2.065 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)NC[C@H](C)N1CCCC1 ZINC000533365138 395461470 /nfs/dbraw/zinc/46/14/70/395461470.db2.gz ANUMQPOCJHEOCK-ZDUSSCGKSA-N 0 3 271.364 2.081 20 30 CEEDHN Cc1cc(CNCCSCCCO)ccc1C#N ZINC000443955087 395406867 /nfs/dbraw/zinc/40/68/67/395406867.db2.gz BLEQFTZAEVLHDW-UHFFFAOYSA-N 0 3 264.394 2.072 20 30 CEEDHN Cc1cc(CNCc2ccc(C(N)=O)cc2)ccc1C#N ZINC000443964305 395406899 /nfs/dbraw/zinc/40/68/99/395406899.db2.gz VDIMPIOTIFZHPP-UHFFFAOYSA-N 0 3 279.343 2.255 20 30 CEEDHN CC1(C)CCCN(CCNc2ccc(C#N)nc2)C1 ZINC000443959383 395407282 /nfs/dbraw/zinc/40/72/82/395407282.db2.gz NZDHQDAQYFNMCX-UHFFFAOYSA-N 0 3 258.369 2.487 20 30 CEEDHN CS[C@@H](CO)[C@H](C)NCc1ccc(C#N)c(C)c1 ZINC000443996653 395410780 /nfs/dbraw/zinc/41/07/80/395410780.db2.gz VFXGDBCQOIUVDZ-FZMZJTMJSA-N 0 3 264.394 2.069 20 30 CEEDHN C=C(C)CN1CCC(NCc2ccncc2F)CC1 ZINC000449121383 395545489 /nfs/dbraw/zinc/54/54/89/395545489.db2.gz HJNVPEILEDUKJM-UHFFFAOYSA-N 0 3 263.360 2.351 20 30 CEEDHN Cc1cc(C)cc([C@@H](C)NC[C@H](O)CN(C)CCC#N)c1 ZINC000566969143 395534540 /nfs/dbraw/zinc/53/45/40/395534540.db2.gz WAQWXPKYODVMEV-WBVHZDCISA-N 0 3 289.423 2.160 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCc1cc2c(s1)CCCC2 ZINC000567660300 395534983 /nfs/dbraw/zinc/53/49/83/395534983.db2.gz SYUJXKCGCPWWLU-CYBMUJFWSA-N 0 3 291.420 2.264 20 30 CEEDHN CCC[C@@H](C#N)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000573091342 395599848 /nfs/dbraw/zinc/59/98/48/395599848.db2.gz MUWFPYOYOQKDJG-LSDHHAIUSA-N 0 3 273.380 2.488 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)o1 ZINC000449551544 395554023 /nfs/dbraw/zinc/55/40/23/395554023.db2.gz GWCOJTIHJRJFFG-AGIUHOORSA-N 0 3 260.337 2.134 20 30 CEEDHN CC1(C)CN(CC(=O)NC2(C#N)CCC2)[C@@H]2CCC[C@@H]21 ZINC000568870962 395570809 /nfs/dbraw/zinc/57/08/09/395570809.db2.gz RMEGVCNAXQHLAQ-QWHCGFSZSA-N 0 3 275.396 2.059 20 30 CEEDHN Cc1cc(N2CCN(C3CC3)C[C@H](C)C2)cc(C#N)n1 ZINC000450545900 395572578 /nfs/dbraw/zinc/57/25/78/395572578.db2.gz CHTRYFJQADQZNZ-LBPRGKRZSA-N 0 3 270.380 2.182 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2cccc(N3CCC3=O)c2)C1 ZINC000571743741 395584853 /nfs/dbraw/zinc/58/48/53/395584853.db2.gz ILSGBEHNZAQCKH-GXTWGEPZSA-N 0 3 269.348 2.205 20 30 CEEDHN C=CCCCCNCc1cnc2c(C#N)cnn2c1 ZINC000572721762 395587522 /nfs/dbraw/zinc/58/75/22/395587522.db2.gz DTKFKTJPMJBYBA-UHFFFAOYSA-N 0 3 255.325 2.047 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC[C@]2(CCOC2)C1 ZINC000451910451 395625980 /nfs/dbraw/zinc/62/59/80/395625980.db2.gz YGQSNHIVXPHTQU-KRWDZBQOSA-N 0 3 286.375 2.440 20 30 CEEDHN CO[C@@H]1COCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000453328534 395628117 /nfs/dbraw/zinc/62/81/17/395628117.db2.gz UCMFRDXBEZUMIY-PVXIVEMSSA-N 0 3 292.354 2.399 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N[C@H]2CCCN(C)[C@H]2C)c1 ZINC000455953083 395632195 /nfs/dbraw/zinc/63/21/95/395632195.db2.gz JRDMCLDKUBAQLY-WFASDCNBSA-N 0 3 286.379 2.471 20 30 CEEDHN CCN1C[C@H](C)N(Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000459462152 395666201 /nfs/dbraw/zinc/66/62/01/395666201.db2.gz KDPAQOJOKCYUMB-KBPBESRZSA-N 0 3 287.407 2.481 20 30 CEEDHN CC[C@@H]1OCC[C@H]1NCc1cc(C#N)ccc1OC ZINC000459765460 395666724 /nfs/dbraw/zinc/66/67/24/395666724.db2.gz CSENZSGSBOOMCY-KGLIPLIRSA-N 0 3 260.337 2.224 20 30 CEEDHN CC(C)[C@@H]1CN(Cc2ccc(C#N)cc2)CCN1C ZINC000487951361 395667622 /nfs/dbraw/zinc/66/76/22/395667622.db2.gz BHMMWAPDWCELOK-INIZCTEOSA-N 0 3 257.381 2.330 20 30 CEEDHN CS[C@@H]1CN(Cc2ccc(C#N)c(C)c2)C[C@@H]1N(C)C ZINC000488163255 395668116 /nfs/dbraw/zinc/66/81/16/395668116.db2.gz OPYMTENYFMHNEQ-JKSUJKDBSA-N 0 3 289.448 2.344 20 30 CEEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000489446021 395668487 /nfs/dbraw/zinc/66/84/87/395668487.db2.gz FYRBGBCKGMWXAP-HZPDHXFCSA-N 0 3 286.375 2.338 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)/C=C/c2ccc(C#N)cc2)CCN1C ZINC000493376877 395671423 /nfs/dbraw/zinc/67/14/23/395671423.db2.gz AMJWOCBOFHPPQA-KBOKABMXSA-N 0 3 297.402 2.370 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1cc2n(n1)CCCC2 ZINC000647309742 395701341 /nfs/dbraw/zinc/70/13/41/395701341.db2.gz PQJZZDYJEAVMCX-WWGRRREGSA-N 0 3 275.396 2.461 20 30 CEEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647295239 395699486 /nfs/dbraw/zinc/69/94/86/395699486.db2.gz DFOFBZDGAAXICP-QWHCGFSZSA-N 0 3 263.385 2.055 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000334240651 400346487 /nfs/dbraw/zinc/34/64/87/400346487.db2.gz VTKBFXZWBGTDDE-GXFFZTMASA-N 0 3 278.739 2.479 20 30 CEEDHN N#Cc1ccc(CN[C@H](CO)CC2CCC2)cc1F ZINC000421406012 400572344 /nfs/dbraw/zinc/57/23/44/400572344.db2.gz ZOWVZMQZIAVYHP-AWEZNQCLSA-N 0 3 262.328 2.338 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000488933248 400587178 /nfs/dbraw/zinc/58/71/78/400587178.db2.gz AQFFYXBJZKCLCE-UONOGXRCSA-N 0 3 275.396 2.229 20 30 CEEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)[C@@H]1C ZINC000489028715 400587306 /nfs/dbraw/zinc/58/73/06/400587306.db2.gz RENRJSQRZLLFBE-IUODEOHRSA-N 0 3 272.348 2.250 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CCN(C2CC2)C1)c1cccc(C#N)c1 ZINC000360033274 155198636 /nfs/dbraw/zinc/19/86/36/155198636.db2.gz OQVOSLYFXWRXHV-SWLSCSKDSA-N 0 3 283.375 2.015 20 30 CEEDHN C[C@H](C(=O)N(C)[C@H]1CCN(C)C[C@H]1C)c1cccc(C#N)c1 ZINC000360276768 155259946 /nfs/dbraw/zinc/25/99/46/155259946.db2.gz KFXUNMGLSOVVBU-KEYYUXOJSA-N 0 3 299.418 2.460 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000360290854 155264357 /nfs/dbraw/zinc/26/43/57/155264357.db2.gz SEINNFSXIPCLRL-HEHGZKQESA-N 0 3 285.391 2.261 20 30 CEEDHN COc1ccc(CN[C@H]2CCO[C@H]2C2CC2)cc1C#N ZINC000230316409 153390997 /nfs/dbraw/zinc/39/09/97/153390997.db2.gz GZLVZBZCEVCTHI-HOCLYGCPSA-N 0 3 272.348 2.224 20 30 CEEDHN CO[C@]1(CN[C@@H](C)c2ccc(C#N)cc2F)CCOC1 ZINC000359411929 155008451 /nfs/dbraw/zinc/00/84/51/155008451.db2.gz FMERBIBESWNOTL-NHYWBVRUSA-N 0 3 278.327 2.153 20 30 CEEDHN Cn1cc(CNCC[C@@H]2COc3ccccc3O2)cc1C#N ZINC000359701449 155118009 /nfs/dbraw/zinc/11/80/09/155118009.db2.gz RRSLZLZQHPZIGE-OAHLLOKOSA-N 0 3 297.358 2.216 20 30 CEEDHN Cn1cc(C[C@H]2CCN(Cc3ccc(C#N)cc3F)C2)cn1 ZINC000363590639 156033600 /nfs/dbraw/zinc/03/36/00/156033600.db2.gz WDPIZKSJACDWKQ-CQSZACIVSA-N 0 3 298.365 2.495 20 30 CEEDHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(C#N)s1 ZINC000367068042 156127216 /nfs/dbraw/zinc/12/72/16/156127216.db2.gz PNIWIRRIJAKHHW-TURKWSHLSA-N 0 3 289.404 2.328 20 30 CEEDHN CO[C@@H]1[C@@H](C)[C@@H](NCc2ccc(C#N)o2)C12CCC2 ZINC000368033424 156272252 /nfs/dbraw/zinc/27/22/52/156272252.db2.gz GGGUUCWGWWAHIR-ZLKJLUDKSA-N 0 3 260.337 2.444 20 30 CEEDHN CS[C@H](CO)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000181785068 286713371 /nfs/dbraw/zinc/71/33/71/286713371.db2.gz UWKGGWVUMYRPPB-JTNHKYCSSA-N 0 3 264.394 2.321 20 30 CEEDHN N#Cc1cccc(CN[C@H]2Cc3ccccc3[C@@H]2O)c1 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ZINC000055066426 175568718 /nfs/dbraw/zinc/56/87/18/175568718.db2.gz LJFFQRGGYNUTEZ-OAHLLOKOSA-N 0 3 287.407 2.353 20 30 CEEDHN C=CCN(CC(=O)NCc1ccco1)C(C)(C)C ZINC000661754997 415446649 /nfs/dbraw/zinc/44/66/49/415446649.db2.gz FLKBIIUUIUUTBV-UHFFFAOYSA-N 0 3 250.342 2.182 20 30 CEEDHN C=CCN(CC[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000661759900 415448351 /nfs/dbraw/zinc/44/83/51/415448351.db2.gz LSUBPJNOBDTKPA-GFCCVEGCSA-N 0 3 259.415 2.098 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc2n(n1)CCCC2 ZINC000655768433 415448630 /nfs/dbraw/zinc/44/86/30/415448630.db2.gz ZZSSJHRAGCTNIE-CJNGLKHVSA-N 0 3 275.396 2.290 20 30 CEEDHN C=CCC1(NCc2csc(CC(=O)NC)n2)CCCC1 ZINC000661864089 415507705 /nfs/dbraw/zinc/50/77/05/415507705.db2.gz MDVMQWURMJWASV-UHFFFAOYSA-N 0 3 293.436 2.410 20 30 CEEDHN C=CCN1CC[C@H](N2CCC[C@@H](C3CCC3)C2)C1=O ZINC000662044304 415597433 /nfs/dbraw/zinc/59/74/33/415597433.db2.gz QSGAZLNGMBESFI-CABCVRRESA-N 0 3 262.397 2.285 20 30 CEEDHN C=C(C)CN(CC)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000659829003 415713232 /nfs/dbraw/zinc/71/32/32/415713232.db2.gz JFADHRCRBADTAA-MELADBBJSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCN(CC=C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000665556932 415776839 /nfs/dbraw/zinc/77/68/39/415776839.db2.gz HSOSEBRGYTXJPP-CYBMUJFWSA-N 0 3 265.401 2.243 20 30 CEEDHN C=CCCNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000665602370 415791141 /nfs/dbraw/zinc/79/11/41/415791141.db2.gz OXUBMLLIZTYSRJ-UHFFFAOYSA-N 0 3 277.368 2.325 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CC=CCC2)CC1 ZINC000077594093 177283506 /nfs/dbraw/zinc/28/35/06/177283506.db2.gz VQEOHNPWDSUDHM-AWEZNQCLSA-N 0 3 277.412 2.435 20 30 CEEDHN COCCN(CCCc1ccccc1)C(=O)C(C)C#N ZINC000347029313 226018393 /nfs/dbraw/zinc/01/83/93/226018393.db2.gz BABXFHGNGKEOKP-CQSZACIVSA-N 0 3 274.364 2.254 20 30 CEEDHN CC(C#N)C(=O)NCc1coc(-c2cccs2)n1 ZINC000347039833 226024683 /nfs/dbraw/zinc/02/46/83/226024683.db2.gz QLVNPBPSKUPUIW-QMMMGPOBSA-N 0 3 261.306 2.179 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000335264961 226098078 /nfs/dbraw/zinc/09/80/78/226098078.db2.gz SVVMCZOALBJOBG-NXEZZACHSA-N 0 3 264.275 2.440 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(CC#N)cc2)CCN1C ZINC000336481445 227055883 /nfs/dbraw/zinc/05/58/83/227055883.db2.gz ZDEMFZAUMVCBKV-WFASDCNBSA-N 0 3 286.379 2.357 20 30 CEEDHN CC(C#N)C(=O)NCC1CCN(c2ccccc2)CC1 ZINC000352147762 228187571 /nfs/dbraw/zinc/18/75/71/228187571.db2.gz KACJRUZSLSFMBI-CYBMUJFWSA-N 0 3 271.364 2.179 20 30 CEEDHN C=CCC[C@H](NC[C@H]1CCCNC1=O)c1ccco1 ZINC000666186403 419571693 /nfs/dbraw/zinc/57/16/93/419571693.db2.gz RUGGBAFPCXKRPY-OLZOCXBDSA-N 0 3 262.353 2.403 20 30 CEEDHN CO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000451633698 269759236 /nfs/dbraw/zinc/75/92/36/269759236.db2.gz RSDINBOXKKMYCA-KCPJHIHWSA-N 0 3 287.363 2.042 20 30 CEEDHN COc1cc(CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)ccc1C#N ZINC000527803670 269769792 /nfs/dbraw/zinc/76/97/92/269769792.db2.gz IAYGDWJXLWCCQU-YMEQNVIZSA-N 0 3 274.364 2.468 20 30 CEEDHN CC(C)CN(Cc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000521045350 260122308 /nfs/dbraw/zinc/12/23/08/260122308.db2.gz PWTOYCGICUMVCE-UHFFFAOYSA-N 0 3 269.352 2.221 20 30 CEEDHN C=CCN1CCC(N[C@H](C)c2nccn2CC)CC1 ZINC000297787958 260133948 /nfs/dbraw/zinc/13/39/48/260133948.db2.gz PWLSGDJYXUSNJJ-CYBMUJFWSA-N 0 3 262.401 2.204 20 30 CEEDHN C=CCOCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000354323562 260230392 /nfs/dbraw/zinc/23/03/92/260230392.db2.gz DXAGEGFNQBVDPJ-MRXNPFEDSA-N 0 3 288.391 2.142 20 30 CEEDHN CN(C)CCOc1ccc(NC(=O)CC#N)cc1Cl ZINC000153842018 261084091 /nfs/dbraw/zinc/08/40/91/261084091.db2.gz QZBUAOHUNUTVNW-UHFFFAOYSA-N 0 3 281.743 2.133 20 30 CEEDHN CC(C)(C#N)CCCCN1CCC[C@@H](N2CCNC2=O)C1 ZINC000368439464 261268438 /nfs/dbraw/zinc/26/84/38/261268438.db2.gz VAAUGJQTLMVXEZ-CQSZACIVSA-N 0 3 292.427 2.196 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N1CCCN(CCC)CC1 ZINC000363938656 262043822 /nfs/dbraw/zinc/04/38/22/262043822.db2.gz KTSVMMQFLFWERC-MRXNPFEDSA-N 0 3 282.428 2.160 20 30 CEEDHN C#CC(C)(C)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000491792757 262056962 /nfs/dbraw/zinc/05/69/62/262056962.db2.gz HLPYAQLBDIWCEP-UHFFFAOYSA-N 0 3 289.335 2.267 20 30 CEEDHN COc1ccc([C@H](O)CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185770937 262069556 /nfs/dbraw/zinc/06/95/56/262069556.db2.gz DTUXBXDCFWEDEI-JGGQBBKZSA-N 0 3 274.364 2.401 20 30 CEEDHN CC(C)(C#N)CCCCN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000364354902 262215103 /nfs/dbraw/zinc/21/51/03/262215103.db2.gz RAORLPIMZGADOT-CVEARBPZSA-N 0 3 293.455 2.237 20 30 CEEDHN C=CC1CCN(CC(=O)NCCc2ccc(F)cc2)CC1 ZINC000111257870 262258541 /nfs/dbraw/zinc/25/85/41/262258541.db2.gz VBMJKPBGWCDGOZ-UHFFFAOYSA-N 0 3 290.382 2.382 20 30 CEEDHN COC[C@H]1CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000354046713 262358328 /nfs/dbraw/zinc/35/83/28/262358328.db2.gz FOAACXMRMDRGBD-LSDHHAIUSA-N 0 3 272.348 2.006 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN1CCCC12CCCC2)C1CC1 ZINC000365312673 262359423 /nfs/dbraw/zinc/35/94/23/262359423.db2.gz IBOGEQNPGAQESI-HNNXBMFYSA-N 0 3 275.396 2.203 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cc(F)ccc1OC ZINC000320262899 262523823 /nfs/dbraw/zinc/52/38/23/262523823.db2.gz KIGVIPMAWAQCTH-ZDUSSCGKSA-N 0 3 253.317 2.251 20 30 CEEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)C[C@@H](C)N1C ZINC000339630999 262657188 /nfs/dbraw/zinc/65/71/88/262657188.db2.gz OJNQEQBIMJJHBV-HUUCEWRRSA-N 0 3 279.428 2.111 20 30 CEEDHN Cn1ccnc1[C@H](O)C1CCN(CCC(C)(C)C#N)CC1 ZINC000272019479 263001532 /nfs/dbraw/zinc/00/15/32/263001532.db2.gz MKKNWFVEOJHOEI-CQSZACIVSA-N 0 3 290.411 2.105 20 30 CEEDHN CN1CC[C@@H](NC(=O)NCCCC#N)[C@H]1c1ccccc1 ZINC000273512886 263017678 /nfs/dbraw/zinc/01/76/78/263017678.db2.gz IWPGBYUGICJZFK-HUUCEWRRSA-N 0 3 286.379 2.035 20 30 CEEDHN C=CCCC[C@@H](C)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452019009 263028276 /nfs/dbraw/zinc/02/82/76/263028276.db2.gz QVGAMLXWFBQZGV-KGLIPLIRSA-N 0 3 267.417 2.467 20 30 CEEDHN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccc(OCC#N)cc1 ZINC000277047502 263039442 /nfs/dbraw/zinc/03/94/42/263039442.db2.gz HRUPLZCKBOAZJR-AGGWBTHJSA-N 0 3 274.364 2.323 20 30 CEEDHN CCCN(CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279684004 263056887 /nfs/dbraw/zinc/05/68/87/263056887.db2.gz HDLYSUVVCLDZMC-OAHLLOKOSA-N 0 3 269.348 2.499 20 30 CEEDHN CSC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280323843 263060469 /nfs/dbraw/zinc/06/04/69/263060469.db2.gz GWQCVLACRXSCRZ-FZMZJTMJSA-N 0 3 287.388 2.108 20 30 CEEDHN C=CCN1CC[C@@H](N(C)CCCCC(C)(C)C#N)C1=O ZINC000281393115 263068625 /nfs/dbraw/zinc/06/86/25/263068625.db2.gz PXMCRNFYZDZJNP-CQSZACIVSA-N 0 3 277.412 2.425 20 30 CEEDHN C=C[C@H](C)NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000340097364 263069605 /nfs/dbraw/zinc/06/96/05/263069605.db2.gz LCNDVDSIXGDFCH-QEJZJMRPSA-N 0 3 273.380 2.306 20 30 CEEDHN N#CC1CCC(CN[C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000282542588 263077238 /nfs/dbraw/zinc/07/72/38/263077238.db2.gz XSWQYBCBNYWYCQ-QOZQQMKHSA-N 0 3 289.354 2.272 20 30 CEEDHN CC#CC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000283066746 263080943 /nfs/dbraw/zinc/08/09/43/263080943.db2.gz XBNYWJZGANXOJS-CYBMUJFWSA-N 0 3 264.756 2.082 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CC[C@](CO)(c3ccccc3)C2)C1 ZINC000293621762 263144790 /nfs/dbraw/zinc/14/47/90/263144790.db2.gz QLZKFSBGLCSNQR-OIISXLGYSA-N 0 3 270.376 2.315 20 30 CEEDHN N#CCCOCCN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000294275083 263158725 /nfs/dbraw/zinc/15/87/25/263158725.db2.gz VTKLLHIKVANVIT-CABCVRRESA-N 0 3 296.317 2.315 20 30 CEEDHN CC[C@@H]1CCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000297945731 263212944 /nfs/dbraw/zinc/21/29/44/263212944.db2.gz ULEUVJRQUPTGMF-LSDHHAIUSA-N 0 3 267.332 2.251 20 30 CEEDHN N#C[C@H](c1ccccc1)N1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000298077099 263214869 /nfs/dbraw/zinc/21/48/69/263214869.db2.gz IBKBUGSNMCQCKC-KZNAEPCWSA-N 0 3 299.418 2.172 20 30 CEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)C2(C#N)CCCC2)C1 ZINC000164120617 263266488 /nfs/dbraw/zinc/26/64/88/263266488.db2.gz MMDGZTWVQOVFSX-KGLIPLIRSA-N 0 3 275.396 2.013 20 30 CEEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc(C(=O)OC)cs1 ZINC000353621271 263272016 /nfs/dbraw/zinc/27/20/16/263272016.db2.gz LKYXTUDJHWGUMK-QWRGUYRKSA-N 0 3 283.393 2.370 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCC[C@H]2F)cc1 ZINC000340818341 263307244 /nfs/dbraw/zinc/30/72/44/263307244.db2.gz GZURIYFKUUXTOD-KFWWJZLASA-N 0 3 285.322 2.247 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(C)CC1CCN(C)CC1 ZINC000341433693 263338019 /nfs/dbraw/zinc/33/80/19/263338019.db2.gz OFGHLHCQTQULHD-AWEZNQCLSA-N 0 3 267.417 2.324 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000342007424 263377099 /nfs/dbraw/zinc/37/70/99/263377099.db2.gz SQLIRKWZPCQXOY-TZMCWYRMSA-N 0 3 270.442 2.142 20 30 CEEDHN COCC1(C#N)CCN(C[C@@H](O)C2CCCCC2)CC1 ZINC000341989564 263381068 /nfs/dbraw/zinc/38/10/68/263381068.db2.gz LXEXSJIMHCJRKZ-OAHLLOKOSA-N 0 3 280.412 2.180 20 30 CEEDHN CC1CCC(N2CCN(CC3(C#N)CC3)CC2)CC1 ZINC000334231805 263519828 /nfs/dbraw/zinc/51/98/28/263519828.db2.gz LZTSVBXDCOEZHP-UHFFFAOYSA-N 0 3 261.413 2.486 20 30 CEEDHN C[C@@H](C#N)CN(C)C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000343151103 263595400 /nfs/dbraw/zinc/59/54/00/263595400.db2.gz GFVXYSWWCQNRED-ZFWWWQNUSA-N 0 3 277.412 2.402 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC(c3nnc4n3CCCC4)CC2)C1 ZINC000328832078 263875423 /nfs/dbraw/zinc/87/54/23/263875423.db2.gz LHGHTHBIZHZYGC-HIFRSBDPSA-N 0 3 299.422 2.486 20 30 CEEDHN CCCCNC(=O)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000330449165 263954822 /nfs/dbraw/zinc/95/48/22/263954822.db2.gz ZHMROUHKUHOQDT-ZFWWWQNUSA-N 0 3 277.412 2.307 20 30 CEEDHN C=CCN(CC1CCCCC1)C(=O)C(C)S(C)(=O)=O ZINC000330748963 264029198 /nfs/dbraw/zinc/02/91/98/264029198.db2.gz VWRQNPKMGBBNEV-LBPRGKRZSA-N 0 3 287.425 2.014 20 30 CEEDHN CC(C)Cn1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000330777482 264034991 /nfs/dbraw/zinc/03/49/91/264034991.db2.gz AIZUZSMQWROHBQ-GXTWGEPZSA-N 0 3 278.400 2.326 20 30 CEEDHN O=C(NCC1CCN(CCO)CC1)C1=CCCCC1 ZINC000330914964 264092315 /nfs/dbraw/zinc/09/23/15/264092315.db2.gz TWUWAWONDSXMQS-UHFFFAOYSA-N 0 3 266.385 2.148 20 30 CEEDHN COc1cc(OC)cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000330919532 264093059 /nfs/dbraw/zinc/09/30/59/264093059.db2.gz YQBRIHHDTNVBRR-WCQYABFASA-N 0 3 292.379 2.491 20 30 CEEDHN COC(=O)[C@H]1CCN(Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000331067486 264112289 /nfs/dbraw/zinc/11/22/89/264112289.db2.gz RKIBTQPODRTVCW-CJNGLKHVSA-N 0 3 286.375 2.384 20 30 CEEDHN CCOc1cccnc1C(=O)NC1CCN(CC)CC1 ZINC000331146235 264137745 /nfs/dbraw/zinc/13/77/45/264137745.db2.gz ZHAOKHMBLMQBAS-UHFFFAOYSA-N 0 3 277.368 2.269 20 30 CEEDHN C=CCOc1cccc(CN(C)C[C@@H](C)C(=O)NC)c1 ZINC000180292566 264396597 /nfs/dbraw/zinc/39/65/97/264396597.db2.gz HGGKGXBNYMFQDS-CYBMUJFWSA-N 0 3 276.380 2.065 20 30 CEEDHN CCC(CC)(CNC(=O)C(C)C#N)C(=O)OC(C)(C)C ZINC000424958331 264397684 /nfs/dbraw/zinc/39/76/84/264397684.db2.gz VYNHVSUHOYDILB-NSHDSACASA-N 0 3 282.384 2.410 20 30 CEEDHN CC#CCCCC(=O)NC[C@H]1CCCCN1CC ZINC000185523582 265032132 /nfs/dbraw/zinc/03/21/32/265032132.db2.gz FOBCPZVYLZOQGR-CQSZACIVSA-N 0 3 250.386 2.171 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000296053044 265034948 /nfs/dbraw/zinc/03/49/48/265034948.db2.gz AABVTTBZAPPQCM-KRWDZBQOSA-N 0 3 299.418 2.392 20 30 CEEDHN C=CCOc1ccc(C(=O)N[C@H]2CCCN(C)[C@H]2C)cc1 ZINC000343498941 265044786 /nfs/dbraw/zinc/04/47/86/265044786.db2.gz HNVDLQWZBOMTHD-BBRMVZONSA-N 0 3 288.391 2.464 20 30 CEEDHN C=C[C@@](C)(O)CC(=O)N(CCC)CCN1CCCCCC1 ZINC000356640622 266152883 /nfs/dbraw/zinc/15/28/83/266152883.db2.gz IAYUZMRJOUERJW-QGZVFWFLSA-N 0 3 296.455 2.428 20 30 CEEDHN C=CCOCC(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000356646371 266152926 /nfs/dbraw/zinc/15/29/26/266152926.db2.gz MKMPWLYKTQUOTN-HNNXBMFYSA-N 0 3 286.375 2.200 20 30 CEEDHN C=CCCC1(C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000357162898 266258273 /nfs/dbraw/zinc/25/82/73/266258273.db2.gz XCNKWRAKDNEALX-HNNXBMFYSA-N 0 3 294.439 2.350 20 30 CEEDHN COCC1(NC(=O)C(C#N)CCc2ccccc2)CCC1 ZINC000357183740 266261121 /nfs/dbraw/zinc/26/11/21/266261121.db2.gz GQMCBTUAYSAALR-HNNXBMFYSA-N 0 3 286.375 2.444 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)CC(C)(C)C#N ZINC000357489934 266308166 /nfs/dbraw/zinc/30/81/66/266308166.db2.gz CFNMIINZUJPWBH-LBPRGKRZSA-N 0 3 265.401 2.163 20 30 CEEDHN CC(C#N)C(=O)NCCCO[C@H](C)c1ccccc1 ZINC000357810265 266369046 /nfs/dbraw/zinc/36/90/46/266369046.db2.gz XEWWFHWJZJANJH-CHWSQXEVSA-N 0 3 260.337 2.430 20 30 CEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)CC(C)(C)C#N ZINC000362825422 267051146 /nfs/dbraw/zinc/05/11/46/267051146.db2.gz HDYZYNQCTSNPJV-GFCCVEGCSA-N 0 3 265.401 2.115 20 30 CEEDHN CC(C)(CCC#N)CN1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000367656633 267107251 /nfs/dbraw/zinc/10/72/51/267107251.db2.gz DQKGTVAOTZHFKI-CYBMUJFWSA-N 0 3 287.411 2.399 20 30 CEEDHN CCOC(=O)COCCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425543129 267117831 /nfs/dbraw/zinc/11/78/31/267117831.db2.gz ZDBQTQKGWJVFKI-CYBMUJFWSA-N 0 3 290.363 2.131 20 30 CEEDHN CCOC(=O)N1CC[C@@H](NCc2ccc(C#N)c(C)c2)C1 ZINC000496013244 267125464 /nfs/dbraw/zinc/12/54/64/267125464.db2.gz XVICMHJCJODORE-OAHLLOKOSA-N 0 3 287.363 2.187 20 30 CEEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000449505126 267132381 /nfs/dbraw/zinc/13/23/81/267132381.db2.gz AQIRLHGZBPZVKE-CABCVRRESA-N 0 3 289.379 2.108 20 30 CEEDHN C=C(C)CCN1CCCC[C@@H]1CCS(C)(=O)=O ZINC000368321845 267162322 /nfs/dbraw/zinc/16/23/22/267162322.db2.gz PRDWXLDUYUJXQN-CYBMUJFWSA-N 0 3 259.415 2.242 20 30 CEEDHN C=CCCCCCN1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000368471629 267175593 /nfs/dbraw/zinc/17/55/93/267175593.db2.gz SBKNQCUVCWWADS-AWEZNQCLSA-N 0 3 288.457 2.135 20 30 CEEDHN C#CCCCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000368688251 267197910 /nfs/dbraw/zinc/19/79/10/267197910.db2.gz NTMWUCBBEBAYCF-OAHLLOKOSA-N 0 3 268.376 2.119 20 30 CEEDHN N#CCCCN1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000368993290 267216780 /nfs/dbraw/zinc/21/67/80/267216780.db2.gz RBTQRFHOWPRUKE-HNNXBMFYSA-N 0 3 277.412 2.405 20 30 CEEDHN CCc1cc(N2CCN(c3cc(C#N)ccn3)CC2)ccn1 ZINC000450240015 267245914 /nfs/dbraw/zinc/24/59/14/267245914.db2.gz FUEFMENMKWWFEX-UHFFFAOYSA-N 0 3 293.374 2.237 20 30 CEEDHN CN(C(=O)/C=C\c1ccc(C#N)cc1)C1CCN(C)CC1 ZINC000490550980 267270536 /nfs/dbraw/zinc/27/05/36/267270536.db2.gz FLZJPMGREJCWHS-FPLPWBNLSA-N 0 3 283.375 2.124 20 30 CEEDHN CN(C)CCOc1ccc(NC(=O)c2ccc(C#N)o2)cc1 ZINC000429842994 267280263 /nfs/dbraw/zinc/28/02/63/267280263.db2.gz UZJYZBRYHQEDMU-UHFFFAOYSA-N 0 3 299.330 2.344 20 30 CEEDHN CN(C[C@H]1CCCN1C)c1ccc(Cl)c(C#N)n1 ZINC000420629636 267309676 /nfs/dbraw/zinc/30/96/76/267309676.db2.gz CRDOCTYPSYBMDR-SNVBAGLBSA-N 0 3 264.760 2.137 20 30 CEEDHN C=C[C@H](C)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000119339058 267322966 /nfs/dbraw/zinc/32/29/66/267322966.db2.gz WFDURODTHARFRP-UWVGGRQHSA-N 0 3 271.357 2.454 20 30 CEEDHN CN(c1ncc2c(c1C#N)CCC2)[C@@H]1CCN(C2CC2)C1 ZINC000425222568 267329158 /nfs/dbraw/zinc/32/91/58/267329158.db2.gz GZULJQHPGJHRND-CQSZACIVSA-N 0 3 282.391 2.115 20 30 CEEDHN CN1CCC[C@@H](CNC(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000491562819 267336333 /nfs/dbraw/zinc/33/63/33/267336333.db2.gz OTQWVKRRCCIEAF-QWGSZXSUSA-N 0 3 283.375 2.029 20 30 CEEDHN COC(=O)N1CC(N[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000495876595 267372886 /nfs/dbraw/zinc/37/28/86/267372886.db2.gz OMAZZPRVRALRIJ-MRXNPFEDSA-N 0 3 299.374 2.366 20 30 CEEDHN N#CC1(c2ccccn2)CCN(CCCn2ccnc2)CC1 ZINC000376596671 267998895 /nfs/dbraw/zinc/99/88/95/267998895.db2.gz WMDNHJNBQYLETQ-UHFFFAOYSA-N 0 3 295.390 2.226 20 30 CEEDHN CC(C)(C#N)CC(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000376870359 268026452 /nfs/dbraw/zinc/02/64/52/268026452.db2.gz CEUGOGALVZHMMS-QLPKVWCKSA-N 0 3 297.402 2.173 20 30 CEEDHN Cc1ncccc1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000530243517 268089239 /nfs/dbraw/zinc/08/92/39/268089239.db2.gz SDPXMDHQIPQXEE-INIZCTEOSA-N 0 3 267.332 2.085 20 30 CEEDHN N#Cc1ccc([C@@H](N[C@@H]2CC3CCC2CC3)C(N)=O)cc1 ZINC000431077353 268262199 /nfs/dbraw/zinc/26/21/99/268262199.db2.gz NXPANUFTIPSIGZ-MOBWVJJFSA-N 0 3 283.375 2.253 20 30 CEEDHN CC(C)(CCS(C)(=O)=O)NCc1ccc(C#N)c(F)c1 ZINC000421363458 270609356 /nfs/dbraw/zinc/60/93/56/270609356.db2.gz LKVGDQBQNNTJFJ-UHFFFAOYSA-N 0 3 298.383 2.000 20 30 CEEDHN Cc1cc(N2CCN(C)[C@@H](C(C)C)C2)c(C#N)cn1 ZINC000425261461 271149290 /nfs/dbraw/zinc/14/92/90/271149290.db2.gz QFWJHGLZAKWBAP-OAHLLOKOSA-N 0 3 258.369 2.038 20 30 CEEDHN C[C@H](c1ccccc1)[C@@H](NCc1cccc(C#N)c1)C(N)=O ZINC000428845614 271295997 /nfs/dbraw/zinc/29/59/97/271295997.db2.gz LQDUVGDNCADPIY-CXAGYDPISA-N 0 3 293.370 2.305 20 30 CEEDHN CS[C@H]1CN(c2ccc(Cl)c(C#N)n2)C[C@@H]1N(C)C ZINC000270384507 274186615 /nfs/dbraw/zinc/18/66/15/274186615.db2.gz QSFYOIIXCQMEDA-RYUDHWBXSA-N 0 3 296.827 2.088 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000296933770 275380266 /nfs/dbraw/zinc/38/02/66/275380266.db2.gz PCYIWEZVELIXNQ-QGZVFWFLSA-N 0 3 299.418 2.488 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000186122750 275386634 /nfs/dbraw/zinc/38/66/34/275386634.db2.gz UYQBUSMVXHIHGA-HOCLYGCPSA-N 0 3 285.391 2.144 20 30 CEEDHN CC(C)(CC(N)=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000186217052 275547054 /nfs/dbraw/zinc/54/70/54/275547054.db2.gz CJBVCWWLNZIZSJ-UHFFFAOYSA-N 0 3 298.308 2.301 20 30 CEEDHN COC[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@H]1CCCO1 ZINC000353597186 277263953 /nfs/dbraw/zinc/26/39/53/277263953.db2.gz OTVHQWKOMYEDBS-YESZJQIVSA-N 0 3 286.375 2.329 20 30 CEEDHN C#Cc1ccc(CN[C@H](C(=O)N(C)CC)C(C)C)cc1 ZINC000294963027 277712509 /nfs/dbraw/zinc/71/25/09/277712509.db2.gz FCACACFIZBOMTN-INIZCTEOSA-N 0 3 272.392 2.260 20 30 CEEDHN CS[C@H]1CN(CC#Cc2ccc(F)cc2)C[C@@H]1N(C)C ZINC000272061305 278166576 /nfs/dbraw/zinc/16/65/76/278166576.db2.gz SDOOJCUJAOVMRX-HOTGVXAUSA-N 0 3 292.423 2.155 20 30 CEEDHN CC1(C)CN(Cc2ccc(C#N)cc2)[C@@H]2COC[C@@H]21 ZINC000334748812 278336646 /nfs/dbraw/zinc/33/66/46/278336646.db2.gz ZNLIDWKXOKQLLF-LSDHHAIUSA-N 0 3 256.349 2.415 20 30 CEEDHN C[S@](=O)C1(CN[C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353662183 278573796 /nfs/dbraw/zinc/57/37/96/278573796.db2.gz MHYYOXZSVFANPY-KUHUBIRLSA-N 0 3 274.389 2.046 20 30 CEEDHN Cc1cnc(NC(=O)N2CC[C@H](N3CCCCC3)C2)o1 ZINC000330023238 279017355 /nfs/dbraw/zinc/01/73/55/279017355.db2.gz IIDIIWRDAFBQBM-LBPRGKRZSA-N 0 3 278.356 2.089 20 30 CEEDHN COC[C@H](NCc1cccc(C#N)c1F)C(C)C ZINC000230628013 280218907 /nfs/dbraw/zinc/21/89/07/280218907.db2.gz XWBNMLBVPAARCO-ZDUSSCGKSA-N 0 3 250.317 2.458 20 30 CEEDHN COC[C@H](NCc1ccc(F)c(C#N)c1)C(C)C ZINC000230627999 280219026 /nfs/dbraw/zinc/21/90/26/280219026.db2.gz KECVEWISPSAITM-AWEZNQCLSA-N 0 3 250.317 2.458 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000249281929 280390774 /nfs/dbraw/zinc/39/07/74/280390774.db2.gz NUGPNIRIWNTVPQ-WBVHZDCISA-N 0 3 299.418 2.273 20 30 CEEDHN CC[C@H]1CN(CCC(C)(C)C#N)C[C@]2(CCOC2)O1 ZINC000347210777 288286864 /nfs/dbraw/zinc/28/68/64/288286864.db2.gz QEVNMSNRAXQVKG-ZFWWWQNUSA-N 0 3 266.385 2.196 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346247831 288383960 /nfs/dbraw/zinc/38/39/60/288383960.db2.gz WNUTXDMFIVWCLX-HLPPOEQASA-N 0 3 277.412 2.115 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC2(CC1)OCCO2 ZINC000118392346 290218865 /nfs/dbraw/zinc/21/88/65/290218865.db2.gz DBGPCHVIXUPKNJ-CYBMUJFWSA-N 0 3 272.348 2.458 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(CC(C)(C)O)CC1 ZINC000118397247 290220376 /nfs/dbraw/zinc/22/03/76/290220376.db2.gz KGQHDWOSTPLHRH-CQSZACIVSA-N 0 3 287.407 2.008 20 30 CEEDHN COC[C@H](N[C@H](C)c1cccc(C#N)c1)[C@@H]1CCCO1 ZINC000278703545 293166356 /nfs/dbraw/zinc/16/63/56/293166356.db2.gz JQPAYSZTAPSZEQ-KCXAZCMYSA-N 0 3 274.364 2.403 20 30 CEEDHN Cn1ccnc1[C@@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000536066616 298193099 /nfs/dbraw/zinc/19/30/99/298193099.db2.gz GKOXDEREDRVPGU-OAHLLOKOSA-N 0 3 296.374 2.160 20 30 CEEDHN Cn1cc(C(C)(C)NCCOc2cccc(C#N)c2)cn1 ZINC000545293053 313485303 /nfs/dbraw/zinc/48/53/03/313485303.db2.gz NXEQMIGSEYOMRS-UHFFFAOYSA-N 0 3 284.363 2.195 20 30 CEEDHN CC1CCC(N2CCN(c3ncncc3C#N)CC2)CC1 ZINC000569717008 314013438 /nfs/dbraw/zinc/01/34/38/314013438.db2.gz QGSLNJLZZCFKTC-UHFFFAOYSA-N 0 3 285.395 2.049 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)Cc2cccc(C#N)c2)C1 ZINC000573922362 314183427 /nfs/dbraw/zinc/18/34/27/314183427.db2.gz BXKQIEMDECZPCJ-INIZCTEOSA-N 0 3 285.391 2.042 20 30 CEEDHN N#Cc1cc(Cl)ccc1CN1CC[C@@H](c2nc[nH]n2)C1 ZINC000576032579 314234598 /nfs/dbraw/zinc/23/45/98/314234598.db2.gz AOQYTQDBVJAHOL-LLVKDONJSA-N 0 3 287.754 2.319 20 30 CEEDHN N#Cc1cccc(N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000577466744 314379746 /nfs/dbraw/zinc/37/97/46/314379746.db2.gz QRQLGMKMGCVZHP-ZDUSSCGKSA-N 0 3 286.335 2.141 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)OCC ZINC000339365264 328008418 /nfs/dbraw/zinc/00/84/18/328008418.db2.gz YPLIDOLLPBGXJU-ZNMIVQPWSA-N 0 3 282.428 2.156 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccc(OC)c(F)c1 ZINC000320276520 328115961 /nfs/dbraw/zinc/11/59/61/328115961.db2.gz NENHTBIJKUCFAP-GFCCVEGCSA-N 0 3 253.317 2.251 20 30 CEEDHN C=CCOc1ccccc1C(=O)N[C@H]1CCN(CC)C1 ZINC000412838511 328126920 /nfs/dbraw/zinc/12/69/20/328126920.db2.gz KYWBAVROYAOARD-ZDUSSCGKSA-N 0 3 274.364 2.075 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000582728866 329131804 /nfs/dbraw/zinc/13/18/04/329131804.db2.gz GQMKIUJAFQSBMP-LSDHHAIUSA-N 0 3 262.397 2.189 20 30 CEEDHN CN(C[C@@H]1COc2ccccc2O1)[C@H]1CC[C@H](C#N)C1 ZINC000280997746 328237703 /nfs/dbraw/zinc/23/77/03/328237703.db2.gz MHYPAJUCNCTHFP-MELADBBJSA-N 0 3 272.348 2.450 20 30 CEEDHN N#CC1CCN(C(=O)C2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000289550112 328255153 /nfs/dbraw/zinc/25/51/53/328255153.db2.gz GDLYKFOZJRRIBO-LSDHHAIUSA-N 0 3 298.342 2.053 20 30 CEEDHN C[C@@H](O)CN(Cc1ccc(C#N)cn1)C1CCCCC1 ZINC000581258565 322382426 /nfs/dbraw/zinc/38/24/26/322382426.db2.gz FFEHQYDLGKFGDG-CYBMUJFWSA-N 0 3 273.380 2.469 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000281877698 328504417 /nfs/dbraw/zinc/50/44/17/328504417.db2.gz ZXVKICYAELIVEO-CQSZACIVSA-N 0 3 291.395 2.107 20 30 CEEDHN C#Cc1ccccc1CC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000291843211 328535609 /nfs/dbraw/zinc/53/56/09/328535609.db2.gz UBLZBRRVYNGMQD-OAHLLOKOSA-N 0 3 298.430 2.399 20 30 CEEDHN C#CC[C@H](NC(=O)[C@H](CC)N(C)C)c1ccccc1 ZINC000298681047 326919743 /nfs/dbraw/zinc/91/97/43/326919743.db2.gz UQZFOAAMLNBCGI-GJZGRUSLSA-N 0 3 258.365 2.207 20 30 CEEDHN CC[C@@H]1CN(C)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000557919396 327035099 /nfs/dbraw/zinc/03/50/99/327035099.db2.gz FENJEMJJKYNCPG-IAGOWNOFSA-N 0 3 299.418 2.312 20 30 CEEDHN CC1(C)C[C@@]1(C#N)NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000584123288 327045635 /nfs/dbraw/zinc/04/56/35/327045635.db2.gz REZUFSANTKBOIF-YJBOKZPZSA-N 0 3 297.402 2.317 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(Cl)ccc1C ZINC000294000505 327194609 /nfs/dbraw/zinc/19/46/09/327194609.db2.gz OUFNFDIUPOXPHA-UHFFFAOYSA-N 0 3 278.783 2.333 20 30 CEEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](C)C(=O)OC)c([O-])c1 ZINC000101799795 327222799 /nfs/dbraw/zinc/22/27/99/327222799.db2.gz CURRTIXKCHNYDT-PBSOMRJOSA-N 0 3 292.379 2.466 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](C)COCc1ccccc1 ZINC000347044356 327274504 /nfs/dbraw/zinc/27/45/04/327274504.db2.gz XUYOMBCYDPYKNX-CHWSQXEVSA-N 0 3 260.337 2.115 20 30 CEEDHN C[C@H]1CCN(CCNC(=O)[C@H](C#N)CCc2ccccc2)C1 ZINC000560177718 327288584 /nfs/dbraw/zinc/28/85/84/327288584.db2.gz SHEICIZQWNYHFG-RDJZCZTQSA-N 0 3 299.418 2.217 20 30 CEEDHN C[C@@H]1CCN(CCNC(=O)[C@H](C#N)CCc2ccccc2)C1 ZINC000560177720 327288684 /nfs/dbraw/zinc/28/86/84/327288684.db2.gz SHEICIZQWNYHFG-WBVHZDCISA-N 0 3 299.418 2.217 20 30 CEEDHN CC1CC(C#N)(C(=O)N2CCCN(CC3CCC3)CC2)C1 ZINC000560741032 327340477 /nfs/dbraw/zinc/34/04/77/327340477.db2.gz UATJBEKBDAEXHN-UHFFFAOYSA-N 0 3 289.423 2.261 20 30 CEEDHN CC(C)(C#N)CNC1CCN(c2ccccn2)CC1 ZINC000168935374 327493642 /nfs/dbraw/zinc/49/36/42/327493642.db2.gz IRQLJOFHWCKTJN-UHFFFAOYSA-N 0 3 258.369 2.190 20 30 CEEDHN C#CCCN1CCC(C(=O)N2CCCCCC2)CC1 ZINC000377454558 329015530 /nfs/dbraw/zinc/01/55/30/329015530.db2.gz QHYIJOQEQXHUMR-UHFFFAOYSA-N 0 3 262.397 2.124 20 30 CEEDHN C#Cc1ccc(CN2CCC(c3nnc[nH]3)CC2)cc1 ZINC000377613005 329020478 /nfs/dbraw/zinc/02/04/78/329020478.db2.gz CRHAOAAGAKIHJP-UHFFFAOYSA-N 0 3 266.348 2.166 20 30 CEEDHN C#CCN[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000377674690 329024021 /nfs/dbraw/zinc/02/40/21/329024021.db2.gz NXUAHHINIIJPTB-KGLIPLIRSA-N 0 3 266.747 2.447 20 30 CEEDHN C#CC[C@H](C)NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000377901014 329034260 /nfs/dbraw/zinc/03/42/60/329034260.db2.gz AWVCLEIXQZWUEP-DOTOQJQBSA-N 0 3 299.418 2.314 20 30 CEEDHN C=CCN(CCc1ccco1)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000378497417 329053371 /nfs/dbraw/zinc/05/33/71/329053371.db2.gz PMQAIBCECUZCNE-CALCHBBNSA-N 0 3 290.407 2.173 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](CC)C2)CC1 ZINC000171737620 329079867 /nfs/dbraw/zinc/07/98/67/329079867.db2.gz VWIVDARIEJFGSF-CQSZACIVSA-N 0 3 279.428 2.468 20 30 CEEDHN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)CC(=O)NCC#N ZINC000175432511 329168266 /nfs/dbraw/zinc/16/82/66/329168266.db2.gz IMHAMTFKOWRABE-NEPJUHHUSA-N 0 3 293.798 2.404 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C)[C@H]2C)CC1 ZINC000178666986 329201970 /nfs/dbraw/zinc/20/19/70/329201970.db2.gz JDYQOBDQPUCMHS-UONOGXRCSA-N 0 3 279.428 2.467 20 30 CEEDHN CC(C)(CCC#N)CN1CCC[C@H]1C(=O)NC1CC1 ZINC000179491693 329209090 /nfs/dbraw/zinc/20/90/90/329209090.db2.gz UERFZHQJGBNWRN-ZDUSSCGKSA-N 0 3 263.385 2.059 20 30 CEEDHN CC[C@H](CC#N)NC(=O)c1cccc(CN(C)C)c1 ZINC000183841960 329253422 /nfs/dbraw/zinc/25/34/22/329253422.db2.gz PBGXGLHHCVPOLR-CQSZACIVSA-N 0 3 259.353 2.170 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000184487833 329260654 /nfs/dbraw/zinc/26/06/54/329260654.db2.gz DJRVKXQLFKWIBU-LSDHHAIUSA-N 0 3 283.412 2.367 20 30 CEEDHN C=CCSCCN[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185962928 329337417 /nfs/dbraw/zinc/33/74/17/329337417.db2.gz UGVYDCFWUQHEES-CYBMUJFWSA-N 0 3 298.839 2.245 20 30 CEEDHN C[C@@H]1CN(CC(C)(C)CCC#N)CCN1CC(C)(C)O ZINC000188895063 329374256 /nfs/dbraw/zinc/37/42/56/329374256.db2.gz GXEOUBXXHXWBOV-CQSZACIVSA-N 0 3 281.444 2.093 20 30 CEEDHN C=CCNC(=O)CNC(C)(C)Cc1ccc(C)cc1 ZINC000419334788 329717688 /nfs/dbraw/zinc/71/76/88/329717688.db2.gz NNSZGSKWRJXZOH-UHFFFAOYSA-N 0 3 260.381 2.208 20 30 CEEDHN C=C(CC)CNCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000419716799 329744531 /nfs/dbraw/zinc/74/45/31/329744531.db2.gz ZACWFLMMQRKIDL-UHFFFAOYSA-N 0 3 288.800 2.043 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](N)CC1CCCCC1 ZINC000261558795 329970701 /nfs/dbraw/zinc/97/07/01/329970701.db2.gz DJXLCAGAEQMYSU-CQSZACIVSA-N 0 3 250.386 2.485 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000268682144 330066170 /nfs/dbraw/zinc/06/61/70/330066170.db2.gz XHFIDJNFLNLTOU-MRXNPFEDSA-N 0 3 290.407 2.144 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1cc(C)cc(C)c1 ZINC000268797912 330066281 /nfs/dbraw/zinc/06/62/81/330066281.db2.gz ICSIAYFFMKJYEA-CQSZACIVSA-N 0 3 258.365 2.094 20 30 CEEDHN C#CCCCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000271010216 330077683 /nfs/dbraw/zinc/07/76/83/330077683.db2.gz HTTVALWRGXDRMF-UHFFFAOYSA-N 0 3 276.355 2.370 20 30 CEEDHN C#CCN(CC)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000274206242 330104120 /nfs/dbraw/zinc/10/41/20/330104120.db2.gz MFOIVLJIUJEYPQ-WBVHZDCISA-N 0 3 299.418 2.172 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)[C@@H]1C ZINC000421929796 330109891 /nfs/dbraw/zinc/10/98/91/330109891.db2.gz YBUHLXGYOXKYOH-SRVKXCTJSA-N 0 3 280.368 2.115 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000424068410 330219582 /nfs/dbraw/zinc/21/95/82/330219582.db2.gz ZABLWWAJLPVGFP-AWEZNQCLSA-N 0 3 295.346 2.103 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000424068497 330219589 /nfs/dbraw/zinc/21/95/89/330219589.db2.gz ZFOWFBKZOOYLBJ-YJNKXOJESA-N 0 3 277.412 2.483 20 30 CEEDHN CCOc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424075973 330220732 /nfs/dbraw/zinc/22/07/32/330220732.db2.gz KQZLBYXMGAVNBD-CYBMUJFWSA-N 0 3 261.325 2.045 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000424081342 330222062 /nfs/dbraw/zinc/22/20/62/330222062.db2.gz VGYUKMZKOPBLKL-CYBMUJFWSA-N 0 3 272.352 2.004 20 30 CEEDHN CCN(Cc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000424080881 330222124 /nfs/dbraw/zinc/22/21/24/330222124.db2.gz UEMSLNLDJZFIOZ-CQSZACIVSA-N 0 3 259.353 2.056 20 30 CEEDHN CCCC[C@@H](CC)CNC(=O)[C@@H](N)CCCC#N ZINC000424081786 330223603 /nfs/dbraw/zinc/22/36/03/330223603.db2.gz VRIYANFXMALHGG-OLZOCXBDSA-N 0 3 253.390 2.340 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000424082119 330223834 /nfs/dbraw/zinc/22/38/34/330223834.db2.gz VUNURUPAGFXXHR-GFCCVEGCSA-N 0 3 299.296 2.343 20 30 CEEDHN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424098915 330230617 /nfs/dbraw/zinc/23/06/17/330230617.db2.gz UQPFBWHWLVVZMH-AGIUHOORSA-N 0 3 251.374 2.093 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCc1ccc2ccccc2c1 ZINC000424101914 330233349 /nfs/dbraw/zinc/23/33/49/330233349.db2.gz PVXVTWYMGKMWAQ-INIZCTEOSA-N 0 3 281.359 2.477 20 30 CEEDHN CC(C)(C)C[C@@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424110552 330237389 /nfs/dbraw/zinc/23/73/89/330237389.db2.gz DHKJDUOCBMPFBM-QWHCGFSZSA-N 0 3 265.401 2.435 20 30 CEEDHN CC[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCC#N ZINC000424109893 330237556 /nfs/dbraw/zinc/23/75/56/330237556.db2.gz BIYMVEVWHYTOEZ-CABCVRRESA-N 0 3 273.380 2.145 20 30 CEEDHN C[C@@H]1Cc2ccccc2N(C(=O)[C@H](N)CCCC#N)C1 ZINC000424111254 330239561 /nfs/dbraw/zinc/23/95/61/330239561.db2.gz ACBBJPLUDAUBSP-TZMCWYRMSA-N 0 3 271.364 2.233 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NC1CC(c2ccccc2)C1 ZINC000424113691 330242081 /nfs/dbraw/zinc/24/20/81/330242081.db2.gz ODEOJQDTFGZTKR-NRXISQOPSA-N 0 3 271.364 2.070 20 30 CEEDHN C[C@H](CN(C)C(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424114810 330242887 /nfs/dbraw/zinc/24/28/87/330242887.db2.gz SEJDEWRFXLLXJU-HIFRSBDPSA-N 0 3 273.380 2.270 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000424133607 330266417 /nfs/dbraw/zinc/26/64/17/330266417.db2.gz XNWJEFFBTIYOEZ-CYBMUJFWSA-N 0 3 291.782 2.466 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000424138454 330276587 /nfs/dbraw/zinc/27/65/87/330276587.db2.gz MRUJIEFLQVQLCM-HRCADAONSA-N 0 3 285.391 2.460 20 30 CEEDHN Cc1csc([C@H](NC(=O)[C@@H](N)CCCC#N)C2CC2)n1 ZINC000424139772 330280144 /nfs/dbraw/zinc/28/01/44/330280144.db2.gz FJZJGGGDQMAFMZ-NWDGAFQWSA-N 0 3 292.408 2.040 20 30 CEEDHN CC[C@@H](NC(=O)[C@H](N)CCCC#N)c1nc(C)cs1 ZINC000424157063 330304468 /nfs/dbraw/zinc/30/44/68/330304468.db2.gz PAWLMGIHGMDXLB-GHMZBOCLSA-N 0 3 280.397 2.040 20 30 CEEDHN COCCC1(CNC(=O)[C@@H](N)CCCC#N)CCCCC1 ZINC000424165450 330309162 /nfs/dbraw/zinc/30/91/62/330309162.db2.gz DSNSZPDGSRBXJQ-AWEZNQCLSA-N 0 3 295.427 2.111 20 30 CEEDHN C=CCn1cc(CN[C@H](C)Cc2ccccc2C)nn1 ZINC000424168001 330309963 /nfs/dbraw/zinc/30/99/63/330309963.db2.gz DZMQPFRCKOGIHI-CQSZACIVSA-N 0 3 270.380 2.493 20 30 CEEDHN C[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000424176714 330316849 /nfs/dbraw/zinc/31/68/49/330316849.db2.gz SLXKVQLPTAUCJN-WQVCFCJDSA-N 0 3 285.391 2.447 20 30 CEEDHN CC(C)CC[C@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424179459 330318631 /nfs/dbraw/zinc/31/86/31/330318631.db2.gz YZLRVBDJYOXUHD-ZIAGYGMSSA-N 0 3 265.401 2.435 20 30 CEEDHN CC(C)C1(C)CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424189180 330322275 /nfs/dbraw/zinc/32/22/75/330322275.db2.gz LRRFWGMVELWHGH-ZDUSSCGKSA-N 0 3 265.401 2.292 20 30 CEEDHN CC(C)Oc1ccc(N(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424192629 330323932 /nfs/dbraw/zinc/32/39/32/330323932.db2.gz TWGWNDFSEVASFC-HNNXBMFYSA-N 0 3 289.379 2.458 20 30 CEEDHN C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H](N)CCCC#N ZINC000424194652 330324291 /nfs/dbraw/zinc/32/42/91/330324291.db2.gz SDIYHEITSSXARD-FRRDWIJNSA-N 0 3 251.374 2.045 20 30 CEEDHN CCCNc1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000424198936 330326265 /nfs/dbraw/zinc/32/62/65/330326265.db2.gz YOHHCDUTHPEYEI-LBPRGKRZSA-N 0 3 274.368 2.468 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cnc(C2CC2)s1 ZINC000537023716 330385665 /nfs/dbraw/zinc/38/56/65/330385665.db2.gz KLQUZAWJXPPSEY-SNVBAGLBSA-N 0 3 252.383 2.295 20 30 CEEDHN C=CCC1(C(=O)NCCN2CCCC[C@H]2C)CCOCC1 ZINC000424587469 330391284 /nfs/dbraw/zinc/39/12/84/330391284.db2.gz HBKKCPFTMBFIIK-OAHLLOKOSA-N 0 3 294.439 2.350 20 30 CEEDHN N#CCCC[C@H](NCCN1CCNC1=O)c1ccccc1 ZINC000433014435 330612104 /nfs/dbraw/zinc/61/21/04/330612104.db2.gz DXEAVLIKIBARBK-HNNXBMFYSA-N 0 3 286.379 2.036 20 30 CEEDHN CN(C)[C@@H](CC(=O)N(CCC#N)CCC#N)c1ccccc1 ZINC000433301745 330623636 /nfs/dbraw/zinc/62/36/36/330623636.db2.gz VYNPXXHAJLJMCP-INIZCTEOSA-N 0 3 298.390 2.335 20 30 CEEDHN COC(=O)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1OC ZINC000442833511 330786066 /nfs/dbraw/zinc/78/60/66/330786066.db2.gz BVOUYQBSZBXWOB-YPMHNXCESA-N 0 3 288.347 2.264 20 30 CEEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)C(=O)N1Cc2ccccc2C1 ZINC000442848836 330786584 /nfs/dbraw/zinc/78/65/84/330786584.db2.gz AXNGNENDPAQUGQ-HEHGZKQESA-N 0 3 283.375 2.199 20 30 CEEDHN COC(=O)COc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442852172 330786948 /nfs/dbraw/zinc/78/69/48/330786948.db2.gz FTHIUIRAVNJZIB-TZMCWYRMSA-N 0 3 288.347 2.020 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(OCCO)cc2)C1 ZINC000447572521 330870613 /nfs/dbraw/zinc/87/06/13/330870613.db2.gz CKKBWFUFUYBZBT-CABCVRRESA-N 0 3 274.364 2.230 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(OC)cc(OC)c1 ZINC000449518741 330933115 /nfs/dbraw/zinc/93/31/15/330933115.db2.gz KSYZBDSPOIJEOX-CABCVRRESA-N 0 3 263.337 2.137 20 30 CEEDHN CNC(=O)CC[C@H]1CCCCN1CC1(C#N)CCC1 ZINC000450990789 331010722 /nfs/dbraw/zinc/01/07/22/331010722.db2.gz JSWDUQUVLJOKPN-CYBMUJFWSA-N 0 3 263.385 2.061 20 30 CEEDHN C=CCN(CCOC)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000451140228 331017232 /nfs/dbraw/zinc/01/72/32/331017232.db2.gz BVNXTLHMMITBOD-MRXNPFEDSA-N 0 3 294.439 2.445 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000451292438 331023465 /nfs/dbraw/zinc/02/34/65/331023465.db2.gz DFONVSZRPUMBRM-LBPRGKRZSA-N 0 3 252.402 2.435 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000451610150 331036763 /nfs/dbraw/zinc/03/67/63/331036763.db2.gz XNSCHYXBCBGXPO-FZZIBODNSA-N 0 3 296.317 2.225 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452864452 331079661 /nfs/dbraw/zinc/07/96/61/331079661.db2.gz WKCFCVQUJNXGPU-DGCLKSJQSA-N 0 3 287.319 2.460 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000452948862 331081683 /nfs/dbraw/zinc/08/16/83/331081683.db2.gz KIXPINYKUHGIHH-OAGGEKHMSA-N 0 3 292.423 2.243 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCCc2c1cnn2C ZINC000453329498 331117623 /nfs/dbraw/zinc/11/76/23/331117623.db2.gz AJWLKILKGFQRRK-GUTXKFCHSA-N 0 3 261.369 2.121 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(C(=O)OC)co1 ZINC000453334579 331118068 /nfs/dbraw/zinc/11/80/68/331118068.db2.gz FAUWXIHXNGEJDQ-UHTWSYAYSA-N 0 3 279.336 2.450 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc2c(c1)OCO2 ZINC000453354337 331121307 /nfs/dbraw/zinc/12/13/07/331121307.db2.gz KXSQTAFCFBLFCZ-RTXFEEFZSA-N 0 3 261.321 2.409 20 30 CEEDHN C=CCOc1ccccc1CNC[C@]1(C)CCC(=O)N1 ZINC000453586487 331134956 /nfs/dbraw/zinc/13/49/56/331134956.db2.gz HZTCABKHADKLBE-INIZCTEOSA-N 0 3 274.364 2.010 20 30 CEEDHN C=CCC[C@@H](CO)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000454339660 331144455 /nfs/dbraw/zinc/14/44/55/331144455.db2.gz MJXACSJOEUPVHK-HNNXBMFYSA-N 0 3 291.395 2.197 20 30 CEEDHN C=C(C)CCNC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000454644923 331150345 /nfs/dbraw/zinc/15/03/45/331150345.db2.gz OTGNJURSBGSIKH-KBPBESRZSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCC1(CNC(=O)N2C[C@H]3CCN(C)[C@H]3C2)CCCC1 ZINC000455457726 331170236 /nfs/dbraw/zinc/17/02/36/331170236.db2.gz DEDKOJCGYQAWOC-CABCVRRESA-N 0 3 291.439 2.468 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)Nc1ccnn1CCN(C)C ZINC000455661102 331174993 /nfs/dbraw/zinc/17/49/93/331174993.db2.gz SUYNMPURPNYDAC-CYBMUJFWSA-N 0 3 291.399 2.017 20 30 CEEDHN CO[C@@H]1CCC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000456192304 331186368 /nfs/dbraw/zinc/18/63/68/331186368.db2.gz OVTGXFUBRVJWAM-ARFHVFGLSA-N 0 3 286.375 2.443 20 30 CEEDHN CCCN(CC#N)C(=O)C1CN(C2CCCCC2)C1 ZINC000457494265 331224772 /nfs/dbraw/zinc/22/47/72/331224772.db2.gz QNRMNXAJPGWFJU-UHFFFAOYSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)NCC(C)(C)CC#N ZINC000457685684 331231166 /nfs/dbraw/zinc/23/11/66/331231166.db2.gz GCSFSYVMTNFOGS-CYBMUJFWSA-N 0 3 280.416 2.100 20 30 CEEDHN C=C(C)CCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000457910721 331237464 /nfs/dbraw/zinc/23/74/64/331237464.db2.gz KKHDCAUPVVUPSC-INIZCTEOSA-N 0 3 289.423 2.425 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@]2(C)CC=CCC2)CC1 ZINC000458331829 331249112 /nfs/dbraw/zinc/24/91/12/331249112.db2.gz IOMKWEYOIYTAOK-MRXNPFEDSA-N 0 3 277.412 2.435 20 30 CEEDHN CC#CCN(C)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000458733036 331258294 /nfs/dbraw/zinc/25/82/94/331258294.db2.gz HMGVGBRSJZVFJV-QGZVFWFLSA-N 0 3 299.418 2.173 20 30 CEEDHN CCOC(=O)CCCCCN[C@@H]1CCC[C@H]1C#N ZINC000459464537 331282929 /nfs/dbraw/zinc/28/29/29/331282929.db2.gz MMRGDVGKJAAXGK-QWHCGFSZSA-N 0 3 252.358 2.392 20 30 CEEDHN N#C[C@@H]1CCC[C@H]1NC/C=C\CN[C@H]1CCC[C@H]1C#N ZINC000459480888 331284041 /nfs/dbraw/zinc/28/40/41/331284041.db2.gz PTLPQFLTETVCLK-UKTXIIABSA-N 0 3 272.396 2.106 20 30 CEEDHN C=CCCCN(CCOC)Cc1c(C)nn(C)c1C ZINC000459571199 331288368 /nfs/dbraw/zinc/28/83/68/331288368.db2.gz ONTGLTUMEQIKFT-UHFFFAOYSA-N 0 3 265.401 2.452 20 30 CEEDHN Cc1nn(C)c2ncc(CNCC(C)(C)CC#N)cc12 ZINC000459690804 331294662 /nfs/dbraw/zinc/29/46/62/331294662.db2.gz JXBHUVTYMXJBFS-UHFFFAOYSA-N 0 3 271.368 2.306 20 30 CEEDHN C=C(C)CNC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000488652153 332020730 /nfs/dbraw/zinc/02/07/30/332020730.db2.gz YGWUHAZFJKDOKR-STQMWFEESA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCn1cccc1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000488501027 332014104 /nfs/dbraw/zinc/01/41/04/332014104.db2.gz PYQONWLBURTDCZ-CQSZACIVSA-N 0 3 275.396 2.136 20 30 CEEDHN COCCN(Cc1ccc(CC#N)cc1)[C@H]1CCO[C@@H]1C ZINC000489439159 332052252 /nfs/dbraw/zinc/05/22/52/332052252.db2.gz QJQBYMKTQDKIEI-PBHICJAKSA-N 0 3 288.391 2.378 20 30 CEEDHN C=CCCCS(=O)(=O)NCC[C@H](C)N1CCCCC1 ZINC000489620338 332061858 /nfs/dbraw/zinc/06/18/58/332061858.db2.gz HQKOHLPKQJUNLC-AWEZNQCLSA-N 0 3 288.457 2.137 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C)CCC2CC2)CC1 ZINC000490973268 332134741 /nfs/dbraw/zinc/13/47/41/332134741.db2.gz JNXHQAGBGKPSAN-CYBMUJFWSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCNC(=O)C1CCN(Cc2ccc(F)cc2C)CC1 ZINC000491067536 332144743 /nfs/dbraw/zinc/14/47/43/332144743.db2.gz JAOSAWRLBLKGQQ-UHFFFAOYSA-N 0 3 288.366 2.096 20 30 CEEDHN C#CCNC(=O)CCN[C@@H]1CCc2c1cccc2Cl ZINC000491192918 332163407 /nfs/dbraw/zinc/16/34/07/332163407.db2.gz TXGLWNUAKSIQGW-CQSZACIVSA-N 0 3 276.767 2.056 20 30 CEEDHN C#C[C@@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1F ZINC000491220105 332168505 /nfs/dbraw/zinc/16/85/05/332168505.db2.gz KIHIMMRDIAVDIP-QPUJVOFHSA-N 0 3 264.687 2.429 20 30 CEEDHN C#C[C@H](NC(=O)C12CCCN1CCC2)c1ccc(F)cc1 ZINC000491229245 332169944 /nfs/dbraw/zinc/16/99/44/332169944.db2.gz GDSHMADQLHHDNR-HNNXBMFYSA-N 0 3 286.350 2.245 20 30 CEEDHN C#CCN(C)CCCN[C@@H](CCC)c1ccccn1 ZINC000491326363 332190437 /nfs/dbraw/zinc/19/04/37/332190437.db2.gz MJYXTTQSSCWAKK-HNNXBMFYSA-N 0 3 259.397 2.468 20 30 CEEDHN C#C[C@@H](NCc1cnc2ccc(C#N)cn12)C(C)(C)C ZINC000491451165 332213381 /nfs/dbraw/zinc/21/33/81/332213381.db2.gz DTQZEPDGRHINNJ-CQSZACIVSA-N 0 3 266.348 2.343 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCc1cccc(Cl)c1 ZINC000491524008 332229217 /nfs/dbraw/zinc/22/92/17/332229217.db2.gz IHIRHHGYVGYPQR-UHFFFAOYSA-N 0 3 292.810 2.344 20 30 CEEDHN C#CCn1ccc(CN(CC)C[C@H]2CCO[C@@H](C)C2)n1 ZINC000491669322 332276735 /nfs/dbraw/zinc/27/67/35/332276735.db2.gz ZWRMDEOGPHMKDN-GJZGRUSLSA-N 0 3 275.396 2.153 20 30 CEEDHN C#CCn1ccc(CN(CC)C[C@@H]2CCO[C@H](C)C2)n1 ZINC000491669323 332276845 /nfs/dbraw/zinc/27/68/45/332276845.db2.gz ZWRMDEOGPHMKDN-HUUCEWRRSA-N 0 3 275.396 2.153 20 30 CEEDHN C#C[C@@H](C)N(C)C[C@@H](O)COc1ccc(SC)cc1 ZINC000491696865 332291976 /nfs/dbraw/zinc/29/19/76/332291976.db2.gz KCDICVYWLGYCOU-CHWSQXEVSA-N 0 3 279.405 2.102 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCC[C@H]1CCC ZINC000491707097 332299789 /nfs/dbraw/zinc/29/97/89/332299789.db2.gz RNJOVKCFMLJWHF-HUUCEWRRSA-N 0 3 264.413 2.274 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000491708833 332301307 /nfs/dbraw/zinc/30/13/07/332301307.db2.gz IHTMGRSKGVJYSW-AEFFLSMTSA-N 0 3 284.403 2.252 20 30 CEEDHN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)C(C)C#N ZINC000491715746 332305899 /nfs/dbraw/zinc/30/58/99/332305899.db2.gz FRTHYOXSWBXEOQ-ABAIWWIYSA-N 0 3 297.399 2.202 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H]1CC(C)C ZINC000491730242 332312294 /nfs/dbraw/zinc/31/22/94/332312294.db2.gz OWGJINXOHVXUSV-OAHLLOKOSA-N 0 3 279.428 2.162 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000491743635 332322000 /nfs/dbraw/zinc/32/20/00/332322000.db2.gz MPLUTBXNXWNTTM-NVXWUHKLSA-N 0 3 299.418 2.487 20 30 CEEDHN C#C[C@@H](NC1CCN(CCOC)CC1)c1ccc(F)cc1 ZINC000491765430 332333894 /nfs/dbraw/zinc/33/38/94/332333894.db2.gz BWYUULUXKOJYQJ-QGZVFWFLSA-N 0 3 290.382 2.200 20 30 CEEDHN C#C[C@@H](NC(=O)[C@H]1CCCN1CCC)C(C)(C)C ZINC000491789496 332351639 /nfs/dbraw/zinc/35/16/39/332351639.db2.gz VBZWPXPTIRZCQD-CHWSQXEVSA-N 0 3 250.386 2.025 20 30 CEEDHN C#CCN(C[C@@H]1CC2(CC2)C(=O)O1)C1CCCCC1 ZINC000491815280 332366478 /nfs/dbraw/zinc/36/64/78/332366478.db2.gz PELVOHUAYYZNCP-AWEZNQCLSA-N 0 3 261.365 2.350 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C\c2cnccc2C)CC1 ZINC000492505178 332400730 /nfs/dbraw/zinc/40/07/30/332400730.db2.gz TWIZVCLXGOEBEK-WAYWQWQTSA-N 0 3 297.402 2.007 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C\c2scnc2C)CC1 ZINC000492720410 332410885 /nfs/dbraw/zinc/41/08/85/332410885.db2.gz ZNXQQDLOFRZLFK-PLNGDYQASA-N 0 3 291.420 2.231 20 30 CEEDHN C[C@@H](C(=O)N1CCCCC1)N1CCC(CC#N)CC1 ZINC000336356153 335105174 /nfs/dbraw/zinc/10/51/74/335105174.db2.gz MLKWJBDNMNFUCP-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN CN1C[C@H](CN[C@H](CCCC#N)c2ccccc2)OC1=O ZINC000496554010 332553115 /nfs/dbraw/zinc/55/31/15/332553115.db2.gz UJJZLPAEGIOFGI-LSDHHAIUSA-N 0 3 287.363 2.462 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC2CN(C(=O)OCc3ccccc3)C2)C1 ZINC000496585856 332553861 /nfs/dbraw/zinc/55/38/61/332553861.db2.gz RYMWFSBNFYLLOE-LSDHHAIUSA-N 0 3 299.374 2.289 20 30 CEEDHN C=CC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522642048 333294282 /nfs/dbraw/zinc/29/42/82/333294282.db2.gz QZFSHORJCZYGAP-GDBMZVCRSA-N 0 3 287.407 2.374 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@@H](O)[C@H](C)C2)c1 ZINC000250130206 333302750 /nfs/dbraw/zinc/30/27/50/333302750.db2.gz WYAKEISYWUVWDC-CZUORRHYSA-N 0 3 261.365 2.454 20 30 CEEDHN CC(C)(O)CN1CCN(CCCCC(C)(C)C#N)CC1 ZINC000232569321 333338838 /nfs/dbraw/zinc/33/88/38/333338838.db2.gz RWYHTEQLMSEKOR-UHFFFAOYSA-N 0 3 281.444 2.095 20 30 CEEDHN C=CCC[C@@H](O)CN1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000133091418 334016098 /nfs/dbraw/zinc/01/60/98/334016098.db2.gz RAIMFYUYCMZBEF-ZIAGYGMSSA-N 0 3 298.427 2.255 20 30 CEEDHN COC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000548755984 334170019 /nfs/dbraw/zinc/17/00/19/334170019.db2.gz XMHLXGROLGRBNL-HOTGVXAUSA-N 0 3 299.374 2.028 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2CCCC[C@H]2C1 ZINC000246152084 334236710 /nfs/dbraw/zinc/23/67/10/334236710.db2.gz HRZJPBIVTGKLOA-ILXRZTDVSA-N 0 3 277.412 2.117 20 30 CEEDHN C=C(C)CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000249288883 334331390 /nfs/dbraw/zinc/33/13/90/334331390.db2.gz UTRGGBRBXLDQBS-GJZGRUSLSA-N 0 3 273.380 2.307 20 30 CEEDHN CCN(CCC#N)C(=O)CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000249727782 334339540 /nfs/dbraw/zinc/33/95/40/334339540.db2.gz RDIDAYPGNFBSDC-KGLIPLIRSA-N 0 3 265.401 2.259 20 30 CEEDHN Cc1cc([C@H](C)NC[C@H](O)CN(C)CCC#N)c(C)s1 ZINC000555880287 334490912 /nfs/dbraw/zinc/49/09/12/334490912.db2.gz JTWHOLDYRSAIMF-JSGCOSHPSA-N 0 3 295.452 2.222 20 30 CEEDHN CC(=O)Nc1cccc([C@@H](C)NCCOCCC#N)c1 ZINC000293787900 334892249 /nfs/dbraw/zinc/89/22/49/334892249.db2.gz MFNVGBLHLSJWDA-GFCCVEGCSA-N 0 3 275.352 2.226 20 30 CEEDHN C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)N(C)CCC#N ZINC000192964650 335329787 /nfs/dbraw/zinc/32/97/87/335329787.db2.gz XDVQWENWNWBEDX-BBRMVZONSA-N 0 3 285.391 2.488 20 30 CEEDHN CC[C@@H](CNc1ccccc1)NC(=O)[C@@H](N)CCCC#N ZINC000577749734 335396899 /nfs/dbraw/zinc/39/68/99/335396899.db2.gz QRWURWDLURNIKI-ZFWWWQNUSA-N 0 3 288.395 2.014 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1[C@H]1CCCOC1 ZINC000581486224 336087591 /nfs/dbraw/zinc/08/75/91/336087591.db2.gz AIGXWMIPVQAZRS-HOTGVXAUSA-N 0 3 294.439 2.302 20 30 CEEDHN C[C@@H]1CCC[C@H](NC([O-])=[NH+][C@H]2CCn3ccnc3C2)C1 ZINC000330193404 533815949 /nfs/dbraw/zinc/81/59/49/533815949.db2.gz YNDSNSIUYWPHLU-AGIUHOORSA-N 0 3 276.384 2.280 20 30 CEEDHN C#CCSCCN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000181099960 518337336 /nfs/dbraw/zinc/33/73/36/518337336.db2.gz YQCJAJVIJBBXAL-XIKOKIGWSA-N 0 3 281.446 2.441 20 30 CEEDHN C=CCNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000068564457 518903686 /nfs/dbraw/zinc/90/36/86/518903686.db2.gz BMCGKZWTWYPVLU-UHFFFAOYSA-N 0 3 279.359 2.085 20 30 CEEDHN CC(C)[C@H](N)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000182413794 519817092 /nfs/dbraw/zinc/81/70/92/519817092.db2.gz UBVAYUFWUZHEFP-ZDUSSCGKSA-N 0 3 298.308 2.156 20 30 CEEDHN CCCN(C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000069091706 521513220 /nfs/dbraw/zinc/51/32/20/521513220.db2.gz UCPKSALZNDBHMT-CQSZACIVSA-N 0 3 257.337 2.005 20 30 CEEDHN CC[C@H](C)N1CCN(c2cc(C#N)cc(C)n2)CC1 ZINC000161043033 523960641 /nfs/dbraw/zinc/96/06/41/523960641.db2.gz WYLXINJUKZWDCG-ZDUSSCGKSA-N 0 3 258.369 2.182 20 30 CEEDHN CC#CCCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000355160050 526325409 /nfs/dbraw/zinc/32/54/09/526325409.db2.gz IQLNOJOSARPEED-GOEBONIOSA-N 0 3 287.407 2.390 20 30 CEEDHN CC#CCNC(=O)[C@@H]1CN(C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000344363803 526380258 /nfs/dbraw/zinc/38/02/58/526380258.db2.gz JGQAWROIWCQWGS-MNOVXSKESA-N 0 3 290.329 2.035 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)C[C@H]2C)CC1 ZINC000336449270 526431158 /nfs/dbraw/zinc/43/11/58/526431158.db2.gz VPDMKJOQKZTKRA-CHWSQXEVSA-N 0 3 265.401 2.077 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(F)(F)C2)CC1 ZINC000335958685 526584904 /nfs/dbraw/zinc/58/49/04/526584904.db2.gz YRXFFFRVWSVZFK-UHFFFAOYSA-N 0 3 287.354 2.078 20 30 CEEDHN N#Cc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)cn1 ZINC000363676255 526591026 /nfs/dbraw/zinc/59/10/26/526591026.db2.gz DDYIVAIOZLFODJ-UHFFFAOYSA-N 0 3 298.390 2.044 20 30 CEEDHN C=CCOCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000354689975 526718121 /nfs/dbraw/zinc/71/81/21/526718121.db2.gz CKDQAIJXXXCRJA-HOCLYGCPSA-N 0 3 288.391 2.141 20 30 CEEDHN C=CCOCCCN1CC=C(c2ccnn2C)CC1 ZINC000352563929 526751082 /nfs/dbraw/zinc/75/10/82/526751082.db2.gz UTLYLLXCHVZNSC-UHFFFAOYSA-N 0 3 261.369 2.102 20 30 CEEDHN C=CCOc1ccc(CN[C@@](C)(CCO)COC)cc1 ZINC000344601188 526889869 /nfs/dbraw/zinc/88/98/69/526889869.db2.gz HJFRTVQPKUPOSD-INIZCTEOSA-N 0 3 279.380 2.129 20 30 CEEDHN C=CCOc1ccccc1CN[C@H]1CN(C)C[C@@H]1C ZINC000344370821 526952607 /nfs/dbraw/zinc/95/26/07/526952607.db2.gz NONNSPPEDNKIAI-ZFWWWQNUSA-N 0 3 260.381 2.291 20 30 CEEDHN C=CCn1cccc1C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000336604139 527381674 /nfs/dbraw/zinc/38/16/74/527381674.db2.gz RARKIHFJYSLSIE-KRWDZBQOSA-N 0 3 287.407 2.232 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)C1=CCOCC1)C(C)C ZINC000356085461 527648920 /nfs/dbraw/zinc/64/89/20/527648920.db2.gz GDKABSTUNOECPQ-MRXNPFEDSA-N 0 3 292.423 2.148 20 30 CEEDHN CCO[C@@H](CCNC(=O)C(C)C#N)C1CCCC1 ZINC000352285933 527726677 /nfs/dbraw/zinc/72/66/77/527726677.db2.gz ODRASZQGDQESCA-AAEUAGOBSA-N 0 3 252.358 2.248 20 30 CEEDHN CCCCCC(=O)NC1CCN(CCCC#N)CC1 ZINC000353979181 528106964 /nfs/dbraw/zinc/10/69/64/528106964.db2.gz BBTSIFSCPBTMRE-UHFFFAOYSA-N 0 3 265.401 2.451 20 30 CEEDHN CC(C)COc1ccccc1CNC(=O)C(C)C#N ZINC000347062829 528183539 /nfs/dbraw/zinc/18/35/39/528183539.db2.gz GXKJWJSNZABKGJ-LBPRGKRZSA-N 0 3 260.337 2.497 20 30 CEEDHN CC(C)[C@@H](C(=O)N(C)C[C@H](C)C#N)N1CCCCC1 ZINC000354740857 528350748 /nfs/dbraw/zinc/35/07/48/528350748.db2.gz XTMATDDOBMMTDI-KGLIPLIRSA-N 0 3 265.401 2.115 20 30 CEEDHN CCC[C@@H](C)[C@@H]1CCCN1CC(=O)NC1(C#N)CCC1 ZINC000347057511 528903718 /nfs/dbraw/zinc/90/37/18/528903718.db2.gz PCQXEVFFBZJMSD-KGLIPLIRSA-N 0 3 277.412 2.449 20 30 CEEDHN CCN1CCC[C@H](NC(=O)Cn2cc3ccccc3n2)C1 ZINC000330158348 529082526 /nfs/dbraw/zinc/08/25/26/529082526.db2.gz PYOMSVXDQCGIEB-AWEZNQCLSA-N 0 3 286.379 2.477 20 30 CEEDHN CC(C)[C@H](O)C(C)(C)CNCc1cc(C#N)n(C)c1 ZINC000191479186 535140426 /nfs/dbraw/zinc/14/04/26/535140426.db2.gz OCHJYRDCHVPAJB-AWEZNQCLSA-N 0 3 263.385 2.029 20 30 CEEDHN C(=NNC1CCCC1)c1ccccc1N1CCOCC1 ZINC000727651649 574454068 /nfs/dbraw/zinc/45/40/68/574454068.db2.gz JYXFQPFLSQNCRN-UHFFFAOYSA-N 0 3 273.380 2.389 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)nc1 ZINC000728860254 574472701 /nfs/dbraw/zinc/47/27/01/574472701.db2.gz CATNXMRUPLUBNL-RBSFLKMASA-N 0 3 299.418 2.159 20 30 CEEDHN C=CCCOC(=O)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000729074369 574478046 /nfs/dbraw/zinc/47/80/46/574478046.db2.gz VJXWWMWIOMLFCT-NSHDSACASA-N 0 3 295.285 2.437 20 30 CEEDHN C(=NNC1CC1)c1ccc(OCCN2CCCC2)cc1 ZINC000758127421 574514621 /nfs/dbraw/zinc/51/46/21/574514621.db2.gz PMAMITDYHPBQHL-UHFFFAOYSA-N 0 3 273.380 2.247 20 30 CEEDHN C#CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000754041781 574521383 /nfs/dbraw/zinc/52/13/83/574521383.db2.gz KXEHLKRUQQJWDX-HOCLYGCPSA-N 0 3 270.376 2.131 20 30 CEEDHN C#CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000754041753 574521398 /nfs/dbraw/zinc/52/13/98/574521398.db2.gz KXEHLKRUQQJWDX-GOEBONIOSA-N 0 3 270.376 2.131 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000754144650 574525588 /nfs/dbraw/zinc/52/55/88/574525588.db2.gz QTSTWMSXYYLEDT-RYUDHWBXSA-N 0 3 291.482 2.097 20 30 CEEDHN CO[C@@H](C)CC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000750393132 575261257 /nfs/dbraw/zinc/26/12/57/575261257.db2.gz YILJANWIRDTELK-VHSXEESVSA-N 0 3 294.738 2.412 20 30 CEEDHN C=C(CN(C)C)C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000764582034 574599221 /nfs/dbraw/zinc/59/92/21/574599221.db2.gz GZIYSRGOALCNPR-NSHDSACASA-N 0 3 280.343 2.129 20 30 CEEDHN CC(C)[C@@H](C#N)N1CCN(C[Si](C)(C)C)CC1 ZINC000731847207 574603714 /nfs/dbraw/zinc/60/37/14/574603714.db2.gz UPMXOZSABFBYDZ-CYBMUJFWSA-N 0 3 253.466 2.030 20 30 CEEDHN CN(C(=O)/C=C\c1ccccc1C#N)[C@@H]1CCN(C2CC2)C1 ZINC000732034290 574610163 /nfs/dbraw/zinc/61/01/63/574610163.db2.gz FPYMXSIQWKLMLD-UXHZXRBQSA-N 0 3 295.386 2.267 20 30 CEEDHN C=CC[C@@H](NC(=O)N[C@@H]1CCCN(C)C1)c1ccncc1 ZINC000734661273 574724632 /nfs/dbraw/zinc/72/46/32/574724632.db2.gz LAHZXGVFLPZPGS-HUUCEWRRSA-N 0 3 288.395 2.092 20 30 CEEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)n1cccc1 ZINC000735208179 574747823 /nfs/dbraw/zinc/74/78/23/574747823.db2.gz XCTJAGYOVGKHMD-STQMWFEESA-N 0 3 296.330 2.182 20 30 CEEDHN C=C(Br)CNC(=O)[C@@H](CC)N(CC)CC ZINC000735878757 574770187 /nfs/dbraw/zinc/77/01/87/574770187.db2.gz YRZXLDLTKIZXCF-SNVBAGLBSA-N 0 3 277.206 2.132 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2ccc(F)c(C)c2)CC1 ZINC000740736422 574967063 /nfs/dbraw/zinc/96/70/63/574967063.db2.gz TVKVDBQDSRAMCG-UHFFFAOYSA-N 0 3 288.366 2.352 20 30 CEEDHN C#CCCN1CCC(NC(=O)Cc2cc(C)ccc2C)CC1 ZINC000740735984 574967177 /nfs/dbraw/zinc/96/71/77/574967177.db2.gz YKUVISRLYZKJPU-UHFFFAOYSA-N 0 3 298.430 2.450 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@]2(C)c2ccccc2)CC1 ZINC000741640408 574993224 /nfs/dbraw/zinc/99/32/24/574993224.db2.gz BNTROMCCWICZRO-IEBWSBKVSA-N 0 3 296.414 2.178 20 30 CEEDHN COc1cccc(NC(=O)C(C#N)C(=O)C=CC2CC2)c1 ZINC000744027501 575112395 /nfs/dbraw/zinc/11/23/95/575112395.db2.gz WTEMSYQUBXAXMY-DANTVBBOSA-N 0 3 284.315 2.309 20 30 CEEDHN Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)NC2CCCC2)o1 ZINC000744037934 575112407 /nfs/dbraw/zinc/11/24/07/575112407.db2.gz JOKXXDYPYDJTTJ-AAEUAGOBSA-N 0 3 288.347 2.459 20 30 CEEDHN C=CC[C@H](NC(=O)C1CCN(C)CC1)c1ccncc1 ZINC000746270398 575153343 /nfs/dbraw/zinc/15/33/43/575153343.db2.gz WOGBYIMXNRDJKW-HNNXBMFYSA-N 0 3 273.380 2.157 20 30 CEEDHN C1CCN([C@@H]2CCCCC2=NN2CCOCC2)CC1 ZINC000748778171 575195659 /nfs/dbraw/zinc/19/56/59/575195659.db2.gz FZZMPULFOJBDPX-OAHLLOKOSA-N 0 3 265.401 2.103 20 30 CEEDHN CNC(=S)NN=C1CCCC[C@H]1N1CCCCCC1 ZINC000749807292 575234689 /nfs/dbraw/zinc/23/46/89/575234689.db2.gz NNLCACNUVCDCGF-CYBMUJFWSA-N 0 3 282.457 2.255 20 30 CEEDHN N#Cc1ccc(NC2CCN(C[C@H]3CCCO3)CC2)cn1 ZINC000750015024 575243485 /nfs/dbraw/zinc/24/34/85/575243485.db2.gz NCJMGNBTHOBTGY-MRXNPFEDSA-N 0 3 286.379 2.009 20 30 CEEDHN CCOCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000751827729 575298729 /nfs/dbraw/zinc/29/87/29/575298729.db2.gz XWOOIRXOKHFMDM-JTQLQIEISA-N 0 3 294.738 2.414 20 30 CEEDHN C#C[C@H](CC)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000753201533 575321906 /nfs/dbraw/zinc/32/19/06/575321906.db2.gz ADKSGWCQOPEIIB-USXIJHARSA-N 0 3 299.418 2.218 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)C1CC(F)(F)C1 ZINC000753797203 575342654 /nfs/dbraw/zinc/34/26/54/575342654.db2.gz CWZWPWOFDZXMOF-SNVBAGLBSA-N 0 3 272.295 2.047 20 30 CEEDHN C#CCCN1CCCN(C(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC000981226905 613003074 /nfs/dbraw/zinc/00/30/74/613003074.db2.gz NZAITOBALTWGGB-CVEARBPZSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000981844092 613004891 /nfs/dbraw/zinc/00/48/91/613004891.db2.gz BKXBIZURWSWOLH-CVEARBPZSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966002942 613022738 /nfs/dbraw/zinc/02/27/38/613022738.db2.gz HAAURIOUCQKSEM-BBRMVZONSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC000974909118 613030888 /nfs/dbraw/zinc/03/08/88/613030888.db2.gz GAJUCBFKKIBAQL-CYBMUJFWSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2CCCCC2)C(C)(C)C1 ZINC000972763018 613036921 /nfs/dbraw/zinc/03/69/21/613036921.db2.gz IIFPJRWKKUTOCK-HNNXBMFYSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CC[N@@H+](Cc1cc(F)ccc1-c1nnn[n-]1)C1CCCC1 ZINC000819701410 607086624 /nfs/dbraw/zinc/08/66/24/607086624.db2.gz GDMCJGFUYZMKCW-UHFFFAOYSA-N 0 3 299.353 2.384 20 30 CEEDHN C#CC[N@H+](Cc1cc(F)ccc1-c1nnn[n-]1)C1CCCC1 ZINC000819701410 607086625 /nfs/dbraw/zinc/08/66/25/607086625.db2.gz GDMCJGFUYZMKCW-UHFFFAOYSA-N 0 3 299.353 2.384 20 30 CEEDHN C#CC[N@@H+](Cc1cc(F)ccc1-c1nn[n-]n1)C1CCCC1 ZINC000819701410 607086627 /nfs/dbraw/zinc/08/66/27/607086627.db2.gz GDMCJGFUYZMKCW-UHFFFAOYSA-N 0 3 299.353 2.384 20 30 CEEDHN C#CC[N@H+](Cc1cc(F)ccc1-c1nn[n-]n1)C1CCCC1 ZINC000819701410 607086629 /nfs/dbraw/zinc/08/66/29/607086629.db2.gz GDMCJGFUYZMKCW-UHFFFAOYSA-N 0 3 299.353 2.384 20 30 CEEDHN C=CCC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823898854 608131935 /nfs/dbraw/zinc/13/19/35/608131935.db2.gz FADFOCUFFCZCNF-SECBINFHSA-N 0 3 261.304 2.233 20 30 CEEDHN C=CCC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823898854 608131936 /nfs/dbraw/zinc/13/19/36/608131936.db2.gz FADFOCUFFCZCNF-SECBINFHSA-N 0 3 261.304 2.233 20 30 CEEDHN C#CCCCC[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823842196 609152535 /nfs/dbraw/zinc/15/25/35/609152535.db2.gz YVZDMGIRYZMOTN-NSHDSACASA-N 0 3 287.342 2.460 20 30 CEEDHN C#CCCCC[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823842196 609152536 /nfs/dbraw/zinc/15/25/36/609152536.db2.gz YVZDMGIRYZMOTN-NSHDSACASA-N 0 3 287.342 2.460 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2C)C1 ZINC000970170117 612961025 /nfs/dbraw/zinc/96/10/25/612961025.db2.gz WHJBURZNKXVQRD-HZPDHXFCSA-N 0 3 284.403 2.312 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000970673759 612961655 /nfs/dbraw/zinc/96/16/55/612961655.db2.gz MUEVYADTBXDBNB-GOSISDBHSA-N 0 3 292.382 2.206 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC000970856599 612965200 /nfs/dbraw/zinc/96/52/00/612965200.db2.gz PPYDTANDOCEESM-OAHLLOKOSA-N 0 3 293.370 2.119 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(OC3CCC3)cc2)C1 ZINC000970760144 612965762 /nfs/dbraw/zinc/96/57/62/612965762.db2.gz DVFDWIOAOQNMRC-OAHLLOKOSA-N 0 3 298.386 2.055 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(C)cc2)C1 ZINC000970790838 612995052 /nfs/dbraw/zinc/99/50/52/612995052.db2.gz ZGLNUBNWBAMZJV-CQSZACIVSA-N 0 3 270.376 2.068 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC000970415078 612996509 /nfs/dbraw/zinc/99/65/09/612996509.db2.gz RNJWFYKGLAEODF-QWHCGFSZSA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)C2CC3(CCC3)C2)C1 ZINC000970301169 612996642 /nfs/dbraw/zinc/99/66/42/612996642.db2.gz TWEWNRADOXCPQI-ZDUSSCGKSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)oc2C)C(C)(C)C1 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C#CCN1CC[C@@H](NC(=O)c2ccccc2C)C[C@@H]1C ZINC000947010564 613237638 /nfs/dbraw/zinc/23/76/38/613237638.db2.gz YFZSLVXAGHTZFP-LSDHHAIUSA-N 0 3 270.376 2.211 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C=C)cc2)[C@H](C)C1 ZINC000942942021 613268831 /nfs/dbraw/zinc/26/88/31/613268831.db2.gz WLAZTRIAYMOVSK-PBHICJAKSA-N 0 3 282.387 2.403 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(F)c(F)c2)C[C@H]1C ZINC000947386462 613268954 /nfs/dbraw/zinc/26/89/54/613268954.db2.gz INKSOXBIOYWYIQ-YPMHNXCESA-N 0 3 292.329 2.181 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(F)cc2C)[C@H](C)C1 ZINC000944242079 613269444 /nfs/dbraw/zinc/26/94/44/613269444.db2.gz RNIOTYUBDPWCGJ-CJNGLKHVSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2Cl)[C@@H](C)C1 ZINC000944265017 613271678 /nfs/dbraw/zinc/27/16/78/613271678.db2.gz RAILXOJCEBPHHM-WFASDCNBSA-N 0 3 290.794 2.413 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccn3ccccc23)[C@@H](C)C1 ZINC000942442866 613272299 /nfs/dbraw/zinc/27/22/99/613272299.db2.gz AUYRKFHMUUPNDU-HOCLYGCPSA-N 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CC#CCN1CC[C@H](NC(=O)c2oc(C)cc2C)[C@@H](C)C1 ZINC000941933463 613607408 /nfs/dbraw/zinc/60/74/08/613607408.db2.gz AYJZLZRZPPUGJM-ZFWWWQNUSA-N 0 3 288.391 2.360 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC000971771483 613612942 /nfs/dbraw/zinc/61/29/42/613612942.db2.gz JISJNCXPICZGSB-HUUCEWRRSA-N 0 3 262.397 2.452 20 30 CEEDHN CC#CCN1C[C@]2(C)CN(C(=O)C3CC=CC3)C[C@]2(C)C1 ZINC000982244397 613617385 /nfs/dbraw/zinc/61/73/85/613617385.db2.gz VFKVJWCIYKWCMO-HDICACEKSA-N 0 3 286.419 2.146 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cc3occc3[nH]2)C1 ZINC000971629034 613620370 /nfs/dbraw/zinc/62/03/70/613620370.db2.gz KZWLJPLVALZGSX-LLVKDONJSA-N 0 3 273.336 2.093 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC000972622639 613621248 /nfs/dbraw/zinc/62/12/48/613621248.db2.gz LCXYTPSMCUZBTL-CQSZACIVSA-N 0 3 298.390 2.204 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccsc2COC)C1 ZINC000971786444 613623599 /nfs/dbraw/zinc/62/35/99/613623599.db2.gz GXFHYLZUNZEABH-GFCCVEGCSA-N 0 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613742881 /nfs/dbraw/zinc/74/28/81/613742881.db2.gz PTCXYLVVGOFECX-LSDHHAIUSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)c(C)cn2)C[C@@H]1C ZINC000947564960 613749431 /nfs/dbraw/zinc/74/94/31/613749431.db2.gz UUFSJIXYACUTSZ-LSDHHAIUSA-N 0 3 287.407 2.467 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)cc(C)n2)[C@H](C)C1 ZINC000942201812 613749769 /nfs/dbraw/zinc/74/97/69/613749769.db2.gz ABJNWXDLSUOBAR-UKRRQHHQSA-N 0 3 287.407 2.325 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C3CC3)no2)C[C@H]1C ZINC000947765288 613750149 /nfs/dbraw/zinc/75/01/49/613750149.db2.gz ASBIBCHWYDDUEL-DGCLKSJQSA-N 0 3 289.379 2.321 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C)nc2)[C@H](C)C1 ZINC000941814955 613752063 /nfs/dbraw/zinc/75/20/63/613752063.db2.gz HLBQPIUKNVRNRA-IUODEOHRSA-N 0 3 273.380 2.016 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3n[nH]cc32)C[C@@H]1C ZINC000947602893 613754213 /nfs/dbraw/zinc/75/42/13/613754213.db2.gz ONNVIRDPYZALTM-QWHCGFSZSA-N 0 3 298.390 2.332 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3c[nH]nc32)[C@H](C)C1 ZINC000942555296 613754282 /nfs/dbraw/zinc/75/42/82/613754282.db2.gz IAGJWSZHRQEORD-IUODEOHRSA-N 0 3 298.390 2.189 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cccnc2C)C[C@@H]1C ZINC000947670241 613754919 /nfs/dbraw/zinc/75/49/19/613754919.db2.gz CZCORTFBLYWASQ-GXTWGEPZSA-N 0 3 273.380 2.159 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2ccncc2CC)C[C@H]1C ZINC000947469058 613755884 /nfs/dbraw/zinc/75/58/84/613755884.db2.gz VOVJUFCMNQPYRS-UKRRQHHQSA-N 0 3 287.407 2.413 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2ncc(Cl)s2)[C@@H](C)C1 ZINC000942487399 613761075 /nfs/dbraw/zinc/76/10/75/613761075.db2.gz UOGCWHQHDNENNI-VHSXEESVSA-N 0 3 299.827 2.423 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2ncccc2C)C[C@H]1C ZINC000947156735 613761227 /nfs/dbraw/zinc/76/12/27/613761227.db2.gz HVTADAYRUNWDKR-ZIAGYGMSSA-N 0 3 273.380 2.159 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2nccc3occc32)[C@@H](C)C1 ZINC000942526904 613761568 /nfs/dbraw/zinc/76/15/68/613761568.db2.gz CXZSKGSMRNIBMX-GXTWGEPZSA-N 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C=CC[C@@H](N[C@H]1C[C@@H](OCC)[C@@H]1OC)c1ccncc1 ZINC000892972624 627909357 /nfs/dbraw/zinc/90/93/57/627909357.db2.gz JOVGPWKGEZLFMO-QKPAOTATSA-N 0 3 276.380 2.481 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCC[C@H]1C ZINC001026151862 628053494 /nfs/dbraw/zinc/05/34/94/628053494.db2.gz HWZVQXIHFDNGPR-NPCUJANDSA-N 0 3 276.424 2.435 20 30 CEEDHN C=CC(C)(C)CC(=O)OC[C@@]1(C)C[C@H](OC)CN1C ZINC000893261679 628201769 /nfs/dbraw/zinc/20/17/69/628201769.db2.gz DBLWZHHGKDGOTB-SWLSCSKDSA-N 0 3 269.385 2.241 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2C)C1 ZINC001006633299 628240160 /nfs/dbraw/zinc/24/01/60/628240160.db2.gz UNFOEOYKERZQAV-OAHLLOKOSA-N 0 3 270.376 2.213 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)Cc2ccoc2)c1 ZINC000123605372 628385657 /nfs/dbraw/zinc/38/56/57/628385657.db2.gz UBTIACSWBSGFEG-AWEZNQCLSA-N 0 3 282.299 2.478 20 30 CEEDHN C[C@H]1C[C@H](CNCc2ccccc2C#N)CN1C(=O)C1CC1 ZINC000980271286 628770628 /nfs/dbraw/zinc/77/06/28/628770628.db2.gz ACTROVLJQSAFKX-UONOGXRCSA-N 0 3 297.402 2.295 20 30 CEEDHN CN(Cc1csc(C#N)c1)[C@H]1CC[C@H](O)CC1 ZINC000893900973 629034922 /nfs/dbraw/zinc/03/49/22/629034922.db2.gz CWEAITZPQWYMCM-HAQNSBGRSA-N 0 3 250.367 2.355 20 30 CEEDHN C=CCN(CC=C)C[C@H]1CCC2(CCOCC2)O1 ZINC000877957574 629217606 /nfs/dbraw/zinc/21/76/06/629217606.db2.gz BFKIYWVOCHPTDQ-CQSZACIVSA-N 0 3 251.370 2.389 20 30 CEEDHN C#CCCCCCN(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000878100107 629221083 /nfs/dbraw/zinc/22/10/83/629221083.db2.gz KMZMPJBXSZLBTD-LBPRGKRZSA-N 0 3 290.329 2.275 20 30 CEEDHN C=CCN1CCC(N[C@@H](C)c2cn(C(C)C)nn2)CC1 ZINC000924984279 629321409 /nfs/dbraw/zinc/32/14/09/629321409.db2.gz QYCYXVXOXWJFGL-ZDUSSCGKSA-N 0 3 277.416 2.160 20 30 CEEDHN C#C[C@H](NC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC000794892536 629349666 /nfs/dbraw/zinc/34/96/66/629349666.db2.gz WVXUFJYEIKCDOU-AWEZNQCLSA-N 0 3 274.339 2.101 20 30 CEEDHN N#CC(C(=O)C[C@H]1C=CCC1)C(=O)NC1CCCC1 ZINC000048555117 629402452 /nfs/dbraw/zinc/40/24/52/629402452.db2.gz JZMVLBWCUVNWAH-WCQYABFASA-N 0 3 260.337 2.110 20 30 CEEDHN C#C[C@H](N[C@@H]1CCC2(C[C@@H]1F)OCCO2)C(C)(C)C ZINC000894518273 629508994 /nfs/dbraw/zinc/50/89/94/629508994.db2.gz VRMFLDCFFCZFAX-XQQFMLRXSA-N 0 3 269.360 2.258 20 30 CEEDHN CN1C[C@]2(C)CN(c3nc(C#N)c(Cl)s3)C[C@]2(C)C1 ZINC000894799840 629647759 /nfs/dbraw/zinc/64/77/59/629647759.db2.gz BLUDOLCHVZLHMY-BETUJISGSA-N 0 3 296.827 2.446 20 30 CEEDHN C#CCOCCN(C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000795977345 629726391 /nfs/dbraw/zinc/72/63/91/629726391.db2.gz RESGQTKZYVZHDW-UHFFFAOYSA-N 0 3 283.274 2.090 20 30 CEEDHN Cc1ccncc1CN(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000796509292 629922677 /nfs/dbraw/zinc/92/26/77/629922677.db2.gz JTOATIOSBFBREO-QGZVFWFLSA-N 0 3 281.359 2.427 20 30 CEEDHN CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCCN([O-])C1=O ZINC000895159063 629975926 /nfs/dbraw/zinc/97/59/26/629975926.db2.gz RJQFJEVHSWGJOK-UPJWGTAASA-N 0 3 254.374 2.173 20 30 CEEDHN O=C1[C@@H]([NH2+][C@H]2CCCC23CCCCC3)CCCN1[O-] ZINC000895159618 629977088 /nfs/dbraw/zinc/97/70/88/629977088.db2.gz WJFFFYSYYRZDEX-STQMWFEESA-N 0 3 266.385 2.459 20 30 CEEDHN CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895160648 629977878 /nfs/dbraw/zinc/97/78/78/629977878.db2.gz NJVVFRWWZZOBEA-ZYHUDNBSSA-N 0 3 268.382 2.039 20 30 CEEDHN C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895161853 629981082 /nfs/dbraw/zinc/98/10/82/629981082.db2.gz IBCJWJKKGKSSEL-RISCZKNCSA-N 0 3 280.343 2.117 20 30 CEEDHN CC[C@@H](C[NH2+][C@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000895162568 629981925 /nfs/dbraw/zinc/98/19/25/629981925.db2.gz MRROHJSVDKJDNY-JSGCOSHPSA-N 0 3 262.353 2.150 20 30 CEEDHN C#C[C@@H]1CCCN(Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000895182425 630014478 /nfs/dbraw/zinc/01/44/78/630014478.db2.gz CYLHCZXTLLQNNW-LLVKDONJSA-N 0 3 255.321 2.114 20 30 CEEDHN C[S@](=O)[C@@H]1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC000895330058 630119078 /nfs/dbraw/zinc/11/90/78/630119078.db2.gz SCCZUTPEDMWVHJ-MDZRGWNJSA-N 0 3 275.417 2.317 20 30 CEEDHN C#CC1(O)CCN(Cc2cc3ccncc3s2)CC1 ZINC000895385807 630157928 /nfs/dbraw/zinc/15/79/28/630157928.db2.gz LMCQQCOFMDAVCW-UHFFFAOYSA-N 0 3 272.373 2.256 20 30 CEEDHN C#CC[C@@H]1CCN(Cc2c3c(nn2C)CCSC3)C1 ZINC000895388878 630159346 /nfs/dbraw/zinc/15/93/46/630159346.db2.gz BQCXYFALDPNBJJ-GFCCVEGCSA-N 0 3 275.421 2.055 20 30 CEEDHN C[C@H](C#N)OCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000795235196 630197562 /nfs/dbraw/zinc/19/75/62/630197562.db2.gz IRQVMAWEHYBASM-LLVKDONJSA-N 0 3 277.324 2.348 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cnc2ccccc2n1 ZINC000895712641 630311066 /nfs/dbraw/zinc/31/10/66/630311066.db2.gz BQGXRLCETSMCCK-LBPRGKRZSA-N 0 3 257.337 2.047 20 30 CEEDHN COCCCC1(CN2CCN(CCC#N)CC2)CCC1 ZINC000895843728 630367302 /nfs/dbraw/zinc/36/73/02/630367302.db2.gz CBJMFRSKKSZWMM-UHFFFAOYSA-N 0 3 279.428 2.115 20 30 CEEDHN COCC1CN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000895975144 630425658 /nfs/dbraw/zinc/42/56/58/630425658.db2.gz PQBKKXYJKFUWDE-UHFFFAOYSA-N 0 3 256.349 2.320 20 30 CEEDHN C[C@@H](Cc1cnccn1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902779164 634824448 /nfs/dbraw/zinc/82/44/48/634824448.db2.gz POOWGWNWQHYJRV-RYUDHWBXSA-N 0 3 267.336 2.025 20 30 CEEDHN CN1CCC2(CCN2c2cc(C#N)sc2[N+](=O)[O-])CC1 ZINC000897133192 630952046 /nfs/dbraw/zinc/95/20/46/630952046.db2.gz GCTRQYNARDHYPB-UHFFFAOYSA-N 0 3 292.364 2.202 20 30 CEEDHN C#C[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C(C)C ZINC000799045829 630964536 /nfs/dbraw/zinc/96/45/36/630964536.db2.gz UPAUXXUGPLHOJL-GJZGRUSLSA-N 0 3 264.413 2.271 20 30 CEEDHN C#C[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C(C)C ZINC000799045828 630964819 /nfs/dbraw/zinc/96/48/19/630964819.db2.gz UPAUXXUGPLHOJL-CABCVRRESA-N 0 3 264.413 2.271 20 30 CEEDHN N#CC(C(=O)[C@H]1CCCC(F)(F)C1)C(=O)N1CCCC1 ZINC000800384832 631117365 /nfs/dbraw/zinc/11/73/65/631117365.db2.gz LISSAZCGMUEAOI-QWRGUYRKSA-N 0 3 284.306 2.143 20 30 CEEDHN C=CC[C@@H](C)[C@@H](C)NCc1noc2c1COCC2 ZINC000897365435 631205639 /nfs/dbraw/zinc/20/56/39/631205639.db2.gz HIXZYYBIYYDQHB-GHMZBOCLSA-N 0 3 250.342 2.438 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001007024194 631215134 /nfs/dbraw/zinc/21/51/34/631215134.db2.gz FBSCPXHISCVWLR-WCVJEAGWSA-N 0 3 274.408 2.027 20 30 CEEDHN C=C1CCC(C(=O)N(CCN(C)C)C2CC2)CC1 ZINC000897422842 631348036 /nfs/dbraw/zinc/34/80/36/631348036.db2.gz HLVXDOLJBIDMIK-UHFFFAOYSA-N 0 3 250.386 2.285 20 30 CEEDHN COc1cc(CN(C)CCO[C@H](C)C#N)cc(OC)c1 ZINC000801916234 631353626 /nfs/dbraw/zinc/35/36/26/631353626.db2.gz SAWJPBLRFJVZJP-GFCCVEGCSA-N 0 3 278.352 2.064 20 30 CEEDHN C[C@@H](NC[C@@H](CO)c1ccccc1)c1cc(C#N)ccn1 ZINC000902833270 634851689 /nfs/dbraw/zinc/85/16/89/634851689.db2.gz YSZGBTBBWFNACH-CJNGLKHVSA-N 0 3 281.359 2.380 20 30 CEEDHN Cc1cc(C)nc(C(=O)C(C#N)C(=O)Nc2ccccn2)c1 ZINC000802047658 631377886 /nfs/dbraw/zinc/37/78/86/631377886.db2.gz GJOCXRWIDADCFN-GFCCVEGCSA-N 0 3 294.314 2.055 20 30 CEEDHN C[C@@H](NC[C@@H]1CSCCS1)c1cc(C#N)ccn1 ZINC000902839458 634854469 /nfs/dbraw/zinc/85/44/69/634854469.db2.gz RJSOXPMDRBSLJW-ZYHUDNBSSA-N 0 3 279.434 2.452 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCC2CCCC2)C1 ZINC000987898109 631472586 /nfs/dbraw/zinc/47/25/86/631472586.db2.gz OWGKNZSROJLTTQ-HIFRSBDPSA-N 0 3 262.397 2.169 20 30 CEEDHN C=CC(C)(C)CCNC(=S)NC1CCN(C)CC1 ZINC000863202800 631515062 /nfs/dbraw/zinc/51/50/62/631515062.db2.gz HPRFJXOPLOPNBT-UHFFFAOYSA-N 0 3 269.458 2.147 20 30 CEEDHN CC#CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000801164423 631627568 /nfs/dbraw/zinc/62/75/68/631627568.db2.gz MJQMXPWMMUAVAO-MRXNPFEDSA-N 0 3 270.376 2.133 20 30 CEEDHN C=CCN1CCN(CN2CC[C@]3(CC[C@@H](C)C3)C2)C1=O ZINC000840041701 631673350 /nfs/dbraw/zinc/67/33/50/631673350.db2.gz DNNXTHLHZISGKW-ZBFHGGJFSA-N 0 3 277.412 2.380 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CC2(C)CCCC2)C1 ZINC000988770070 631686948 /nfs/dbraw/zinc/68/69/48/631686948.db2.gz GEJAHWKSZHDUNQ-KBPBESRZSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cscc2Cl)C1 ZINC000989008421 631715433 /nfs/dbraw/zinc/71/54/33/631715433.db2.gz SVUHWFBOIZIRDO-NXEZZACHSA-N 0 3 282.796 2.227 20 30 CEEDHN C=CCN1CCN(CN2CC3(CCC3)C[C@@H]2C)C1=O ZINC000840057419 631726118 /nfs/dbraw/zinc/72/61/18/631726118.db2.gz XHJRGNUELQIZLO-ZDUSSCGKSA-N 0 3 263.385 2.132 20 30 CEEDHN C=CCN1CCN(CN(C)[C@H]2CCC(C)(C)C2)C1=O ZINC000840059167 631731175 /nfs/dbraw/zinc/73/11/75/631731175.db2.gz BYKYFWUJPULBMI-ZDUSSCGKSA-N 0 3 265.401 2.378 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccn(C(C)C)c2C)C1 ZINC000989329683 631776963 /nfs/dbraw/zinc/77/69/63/631776963.db2.gz PTYFLQKHVRRHJC-HIFRSBDPSA-N 0 3 287.407 2.203 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000989384293 631804103 /nfs/dbraw/zinc/80/41/03/631804103.db2.gz NKEADUKXOBWQQD-CMPLNLGQSA-N 0 3 294.757 2.305 20 30 CEEDHN C=C1CCC(C(=O)N2C[C@H](NCCF)C[C@H]2C)CC1 ZINC000989409121 631818996 /nfs/dbraw/zinc/81/89/96/631818996.db2.gz WXCONCIOTTZQPK-TZMCWYRMSA-N 0 3 268.376 2.281 20 30 CEEDHN CCO[C@H]1CCC[C@H](NCc2nc(C#N)cs2)C1 ZINC000897627136 631836305 /nfs/dbraw/zinc/83/63/05/631836305.db2.gz ZVUWOBBHOMPCQP-JQWIXIFHSA-N 0 3 265.382 2.452 20 30 CEEDHN C=CCOc1ccc(CN2C[C@@H](C)[C@H](O)C2)cc1OC ZINC000897685297 631870576 /nfs/dbraw/zinc/87/05/76/631870576.db2.gz IHOLNAOWBIIXHG-TZMCWYRMSA-N 0 3 277.364 2.073 20 30 CEEDHN C[C@@H]1CCCN1CCNC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000898038355 632031619 /nfs/dbraw/zinc/03/16/19/632031619.db2.gz KRZKLYWMONEOGB-ARAOSMHQSA-N 0 3 289.423 2.307 20 30 CEEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1CCCSC1 ZINC000810530056 632223023 /nfs/dbraw/zinc/22/30/23/632223023.db2.gz UONARQSHVZYTGS-WCQYABFASA-N 0 3 294.420 2.287 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc(C(F)F)c2)C1 ZINC000989695703 632226127 /nfs/dbraw/zinc/22/61/27/632226127.db2.gz CQVJKAHXQPIJKS-RISCZKNCSA-N 0 3 292.329 2.450 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC000989831122 632248646 /nfs/dbraw/zinc/24/86/46/632248646.db2.gz HOUBRXFVYRWOIQ-UONOGXRCSA-N 0 3 295.386 2.302 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccccc3)CCC[C@@H]12 ZINC000989915067 632278771 /nfs/dbraw/zinc/27/87/71/632278771.db2.gz COPRZBVYYMOGOZ-SJLPKXTDSA-N 0 3 282.387 2.437 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccccc3)CCC[C@@H]12 ZINC000989915065 632278963 /nfs/dbraw/zinc/27/89/63/632278963.db2.gz COPRZBVYYMOGOZ-AEFFLSMTSA-N 0 3 282.387 2.437 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)C[C@@H]3C=CCC3)CCC[C@H]12 ZINC000989942671 632284725 /nfs/dbraw/zinc/28/47/25/632284725.db2.gz KSSNMIUTBSIILH-SOLBZPMBSA-N 0 3 286.419 2.479 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H]3CC=CCC3)CCC[C@@H]12 ZINC000989945704 632286816 /nfs/dbraw/zinc/28/68/16/632286816.db2.gz PPQAYMZHFWXUMT-LZLYRXPVSA-N 0 3 286.419 2.479 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccc(C)n3C)CCC[C@H]12 ZINC000989953873 632289623 /nfs/dbraw/zinc/28/96/23/632289623.db2.gz JAKOQNBCOIVKAT-WMZOPIPTSA-N 0 3 299.418 2.084 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3coc(CC)n3)CCC[C@H]12 ZINC000990286031 632333292 /nfs/dbraw/zinc/33/32/92/632333292.db2.gz AHZXIPWMYBSUSB-XJKSGUPXSA-N 0 3 289.379 2.150 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3c(C)ccn3C)CCC[C@H]12 ZINC000990327608 632335903 /nfs/dbraw/zinc/33/59/03/632335903.db2.gz KHPOIWWGJQZJPD-WMLDXEAASA-N 0 3 287.407 2.246 20 30 CEEDHN CC[NH+](CC)CCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811186213 632354109 /nfs/dbraw/zinc/35/41/09/632354109.db2.gz GZKBDPLJCFQEOG-UHFFFAOYSA-N 0 3 276.336 2.153 20 30 CEEDHN C=C1CN(C(=O)[C@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000898702944 632579940 /nfs/dbraw/zinc/57/99/40/632579940.db2.gz GNTQSXUJZMWLCM-OAHLLOKOSA-N 0 3 274.364 2.133 20 30 CEEDHN CC(C)(C)[C@@H](C#N)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000813036852 632610349 /nfs/dbraw/zinc/61/03/49/632610349.db2.gz COTIQQLPXBNRGZ-ABAIWWIYSA-N 0 3 283.391 2.253 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCC#N ZINC000813057640 632612041 /nfs/dbraw/zinc/61/20/41/632612041.db2.gz OCXZLUVGPWIIGO-NSHDSACASA-N 0 3 266.304 2.443 20 30 CEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCCC#N ZINC000813059547 632612712 /nfs/dbraw/zinc/61/27/12/632612712.db2.gz BRAAFNKWOUNWRU-NSHDSACASA-N 0 3 285.303 2.036 20 30 CEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCCC#N)c1 ZINC000813089260 632618749 /nfs/dbraw/zinc/61/87/49/632618749.db2.gz QCWWHKCUCOTHCK-AWEZNQCLSA-N 0 3 283.331 2.014 20 30 CEEDHN CC[C@](C)(C#N)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000813432566 632690918 /nfs/dbraw/zinc/69/09/18/632690918.db2.gz ZARJNWZFJHJIQR-DVOMOZLQSA-N 0 3 286.331 2.099 20 30 CEEDHN CC1/C(=C\c2ccc3c(c2)CCCO3)C(=O)c2ncnn21 ZINC000899380216 632821520 /nfs/dbraw/zinc/82/15/20/632821520.db2.gz FKOATCYKWMYSPB-XNFYSYIQSA-N 0 3 281.315 2.444 20 30 CEEDHN CC1/C(=C/c2ccc3c(c2)CCCO3)C(=O)c2ncnn21 ZINC000899380214 632821704 /nfs/dbraw/zinc/82/17/04/632821704.db2.gz FKOATCYKWMYSPB-GARZTLJTSA-N 0 3 281.315 2.444 20 30 CEEDHN COc1ccc(/C=C2/C(=O)c3ncnn3C2C)c(C)c1 ZINC000899381839 632822276 /nfs/dbraw/zinc/82/22/76/632822276.db2.gz SVIFPMZNWKMYQZ-JLATVTFTSA-N 0 3 269.304 2.436 20 30 CEEDHN C=CCC(F)(F)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000815508754 633027912 /nfs/dbraw/zinc/02/79/12/633027912.db2.gz HEFNLYQEYFTROL-GFCCVEGCSA-N 0 3 272.339 2.285 20 30 CEEDHN N#CC(C(=O)CCc1cncs1)c1ccccn1 ZINC000815907108 633077357 /nfs/dbraw/zinc/07/73/57/633077357.db2.gz RZCWUWPUXRTHFS-NSHDSACASA-N 0 3 257.318 2.347 20 30 CEEDHN CC[C@H](N[C@H](C)C(=O)N(C)C)c1cccc(C#N)c1 ZINC000902875634 634865908 /nfs/dbraw/zinc/86/59/08/634865908.db2.gz NZDUANJMJINMOU-RISCZKNCSA-N 0 3 259.353 2.076 20 30 CEEDHN C#CCN1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC000817294798 633622700 /nfs/dbraw/zinc/62/27/00/633622700.db2.gz TZMQQOPLMVWYPC-RDBSUJKOSA-N 0 3 280.412 2.491 20 30 CEEDHN COC[C@H](C)NN=C1CCCCc2ccc(N)cc21 ZINC000817326095 633627863 /nfs/dbraw/zinc/62/78/63/633627863.db2.gz MPIQXKKILPJQSI-NSHDSACASA-N 0 3 261.369 2.324 20 30 CEEDHN C=CCN1CCC(NC(=O)/C(F)=C(/C)C2CC2)CC1 ZINC000900600599 633778925 /nfs/dbraw/zinc/77/89/25/633778925.db2.gz ZCBUSNCEZGTOCH-SDNWHVSQSA-N 0 3 266.360 2.407 20 30 CEEDHN CC[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1OC ZINC000818065192 633851596 /nfs/dbraw/zinc/85/15/96/633851596.db2.gz KSOOKIGKLCGICG-KGLIPLIRSA-N 0 3 289.379 2.284 20 30 CEEDHN CC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1OC ZINC000818065193 633852365 /nfs/dbraw/zinc/85/23/65/633852365.db2.gz KSOOKIGKLCGICG-UONOGXRCSA-N 0 3 289.379 2.284 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000818611902 633959584 /nfs/dbraw/zinc/95/95/84/633959584.db2.gz HVDUXSDOXQYBDF-CABCVRRESA-N 0 3 264.413 2.274 20 30 CEEDHN Cc1cc(NN=Cc2ccnn2C2CCC2)ccn1 ZINC000901268089 634028266 /nfs/dbraw/zinc/02/82/66/634028266.db2.gz UGYAWXKQHIWTOU-UHFFFAOYSA-N 0 3 255.325 2.179 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000840379192 634136720 /nfs/dbraw/zinc/13/67/20/634136720.db2.gz JBVRQEVQAQUYPP-JKSUJKDBSA-N 0 3 291.439 2.067 20 30 CEEDHN COc1ccc(N2CC[C@@H](CNCCC#N)C2)cc1 ZINC000819381054 634163185 /nfs/dbraw/zinc/16/31/85/634163185.db2.gz UQXVMMNDFKMFMX-ZDUSSCGKSA-N 0 3 259.353 2.025 20 30 CEEDHN CC(C)(CN[C@H](C(N)=O)c1ccc(C#N)cc1)C1CC1 ZINC000901641736 634223240 /nfs/dbraw/zinc/22/32/40/634223240.db2.gz BWZKRGBLZAZNOV-AWEZNQCLSA-N 0 3 271.364 2.110 20 30 CEEDHN CC[C@@H](NC[C@@H](C)S(C)(=O)=O)c1cccc(C#N)c1 ZINC000902887568 634880874 /nfs/dbraw/zinc/88/08/74/634880874.db2.gz JWQAUYGBTTXBJR-BXUZGUMPSA-N 0 3 280.393 2.032 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(C#N)ccn1 ZINC000903011345 634937652 /nfs/dbraw/zinc/93/76/52/634937652.db2.gz XMQCAUVOZIAFTF-KYOSRNDESA-N 0 3 257.337 2.337 20 30 CEEDHN C[C@H](NC[C@@H](O)Cc1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000903094692 634976188 /nfs/dbraw/zinc/97/61/88/634976188.db2.gz PPSIKHDOHNKSCA-LRDDRELGSA-N 0 3 299.349 2.347 20 30 CEEDHN C=CCC(C)(C)c1noc(-c2ccnc(CN)c2)n1 ZINC000823247460 635111629 /nfs/dbraw/zinc/11/16/29/635111629.db2.gz FVWASNJMVMVTKJ-UHFFFAOYSA-N 0 3 258.325 2.444 20 30 CEEDHN C#CC[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC000824021367 635324153 /nfs/dbraw/zinc/32/41/53/635324153.db2.gz MGCHZBNEUVESMC-CQSZACIVSA-N 0 3 264.413 2.226 20 30 CEEDHN CC(C)C#CC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000824373470 635415456 /nfs/dbraw/zinc/41/54/56/635415456.db2.gz BBIRVDNNKFQJJL-UHFFFAOYSA-N 0 3 272.392 2.236 20 30 CEEDHN C=CCC[C@@H](CO)[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000825168410 635583107 /nfs/dbraw/zinc/58/31/07/635583107.db2.gz IQVARTPAIBDAKS-ZDUSSCGKSA-N 0 3 265.353 2.208 20 30 CEEDHN N#Cc1cccc(C(=O)OCCN2CCCCC2)c1 ZINC000825452020 635642050 /nfs/dbraw/zinc/64/20/50/635642050.db2.gz FBYDZVFVYSOSNE-UHFFFAOYSA-N 0 3 258.321 2.201 20 30 CEEDHN C#C[C@@H](NCc1ccnn1-c1ccncc1)C(C)C ZINC000825878399 635725343 /nfs/dbraw/zinc/72/53/43/635725343.db2.gz MNZBEUOWDJUACX-OAHLLOKOSA-N 0 3 254.337 2.015 20 30 CEEDHN C[C@H](C#N)Oc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905079671 635796192 /nfs/dbraw/zinc/79/61/92/635796192.db2.gz DNBHBQBIXHQOBW-IQWOZNKMSA-N 0 3 294.314 2.410 20 30 CEEDHN COc1cc(C)c(/C=C2/C(=O)c3ncnn3C2C)cc1OC ZINC000905081480 635797588 /nfs/dbraw/zinc/79/75/88/635797588.db2.gz QYRNJPNKUPLMKO-PQTFEYQYSA-N 0 3 299.330 2.445 20 30 CEEDHN COCCOc1cccc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905080945 635797811 /nfs/dbraw/zinc/79/78/11/635797811.db2.gz OQLOGZOOZZAIHV-HOXUKUGESA-N 0 3 299.330 2.144 20 30 CEEDHN CC1/C(=C/c2ccc3c(c2)CCN3C)C(=O)c2ncnn21 ZINC000905086027 635800219 /nfs/dbraw/zinc/80/02/19/635800219.db2.gz QRSYYRZMOKIIQR-AAIQCTMTSA-N 0 3 280.331 2.111 20 30 CEEDHN C#Cc1cnc(NCCCN2CCc3ccccc3C2)nc1 ZINC000827372520 636307968 /nfs/dbraw/zinc/30/79/68/636307968.db2.gz AYOJBIBDKUURRM-UHFFFAOYSA-N 0 3 292.386 2.318 20 30 CEEDHN C#C[C@@H](NCc1ccc(N(C)CC)nc1)C1CCOCC1 ZINC000827559182 636352679 /nfs/dbraw/zinc/35/26/79/636352679.db2.gz CFPVOZCUPZJWHX-MRXNPFEDSA-N 0 3 287.407 2.056 20 30 CEEDHN C#C[C@@H](NCc1cc(OC)cc(OC)c1)C1CCOCC1 ZINC000827575729 636358080 /nfs/dbraw/zinc/35/80/80/636358080.db2.gz UDDCKQKAAFTZET-QGZVFWFLSA-N 0 3 289.375 2.222 20 30 CEEDHN CC1(C)C[C@]1(C)CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000905779450 636437101 /nfs/dbraw/zinc/43/71/01/636437101.db2.gz BIAVYTGXOPSQCV-CZUORRHYSA-N 0 3 271.364 2.110 20 30 CEEDHN C#CC[C@H]1CCCN(CC(=O)N(CCC)CCC)C1 ZINC000829768628 636925757 /nfs/dbraw/zinc/92/57/57/636925757.db2.gz IEBDKJKDNIESHL-HNNXBMFYSA-N 0 3 264.413 2.370 20 30 CEEDHN C#CC[C@H]1CCCN(CC(=O)NCc2ccc(F)cc2)C1 ZINC000829788610 636929768 /nfs/dbraw/zinc/92/97/68/636929768.db2.gz BLHUKKUBWTUKLJ-HNNXBMFYSA-N 0 3 288.366 2.177 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)CCN2 ZINC000876515843 650299015 /nfs/dbraw/zinc/29/90/15/650299015.db2.gz YJXUYVRYSIAYET-NSHDSACASA-N 0 3 265.744 2.063 20 30 CEEDHN CC(C)C#CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000830284967 637027669 /nfs/dbraw/zinc/02/76/69/637027669.db2.gz CGKCKHOPQKEQQG-KRWDZBQOSA-N 0 3 284.403 2.379 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(OC)ccc1OC ZINC000876547221 650317792 /nfs/dbraw/zinc/31/77/92/650317792.db2.gz LOSXUGMVSFSVQE-JTQLQIEISA-N 0 3 284.743 2.112 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccccc1OC ZINC000876552497 650322218 /nfs/dbraw/zinc/32/22/18/650322218.db2.gz AUWVSYMSVFWJCM-LBPRGKRZSA-N 0 3 282.771 2.124 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(OC)cc1 ZINC000876552139 650322228 /nfs/dbraw/zinc/32/22/28/650322228.db2.gz KOWQIDNZGURGQU-CYBMUJFWSA-N 0 3 282.771 2.124 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1cccc(F)c1 ZINC000876554823 650323733 /nfs/dbraw/zinc/32/37/33/650323733.db2.gz UPKYKIZIYXCSIR-GFCCVEGCSA-N 0 3 270.735 2.254 20 30 CEEDHN CC#CCN(C)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908450006 637350411 /nfs/dbraw/zinc/35/04/11/637350411.db2.gz HGWVJVOJGJDWRS-UHFFFAOYSA-N 0 3 269.348 2.386 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccccc1C ZINC000876562102 650330232 /nfs/dbraw/zinc/33/02/32/650330232.db2.gz SBLJMEXYXDJMFZ-LBPRGKRZSA-N 0 3 252.745 2.081 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000876590196 650348182 /nfs/dbraw/zinc/34/81/82/650348182.db2.gz SHNBKRRQWBRHHI-USWWRNFRSA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1cc(C)on1 ZINC000876597840 650352990 /nfs/dbraw/zinc/35/29/90/650352990.db2.gz VEFPYEWIYYXZEV-CMPLNLGQSA-N 0 3 283.759 2.116 20 30 CEEDHN C#CCCCCC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000832949648 637703822 /nfs/dbraw/zinc/70/38/22/637703822.db2.gz MDCFVEPAFCHFCS-AWEZNQCLSA-N 0 3 262.397 2.123 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)COc1ccc(C)cc1 ZINC000876610379 650358376 /nfs/dbraw/zinc/35/83/76/650358376.db2.gz BWLPVCGAUYZBNF-JSGCOSHPSA-N 0 3 296.798 2.348 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2cnn(CC)c2c1 ZINC000876622900 650364495 /nfs/dbraw/zinc/36/44/95/650364495.db2.gz QFUPMQXNQSNWCR-LBPRGKRZSA-N 0 3 292.770 2.465 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCc1ccccc1OC ZINC000876648228 650375056 /nfs/dbraw/zinc/37/50/56/650375056.db2.gz NVZYCPGKHHZVNL-ZDUSSCGKSA-N 0 3 296.798 2.166 20 30 CEEDHN CCN1CCCN(C(=O)C#Cc2cccs2)[C@@H](C)C1 ZINC000910272406 637967368 /nfs/dbraw/zinc/96/73/68/637967368.db2.gz WTDMBWRLMLXOMX-ZDUSSCGKSA-N 0 3 276.405 2.042 20 30 CEEDHN CC(C)N1CC(N=Nc2ncc(F)cc2F)[C@@H](C)C1 ZINC000835022395 638027654 /nfs/dbraw/zinc/02/76/54/638027654.db2.gz ITTXRBOUTPMHNP-VIFPVBQESA-N 0 3 268.311 2.488 20 30 CEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3ccsn3)CCC[C@H]12 ZINC000991294648 638196880 /nfs/dbraw/zinc/19/68/80/638196880.db2.gz BWAVLKGXUWCNEW-ZFWWWQNUSA-N 0 3 291.420 2.446 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(F)cc1C ZINC000876695711 650403941 /nfs/dbraw/zinc/40/39/41/650403941.db2.gz FYZAPCYCRIGQQK-CYBMUJFWSA-N 0 3 284.762 2.263 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)CCSCC ZINC000876698290 650404705 /nfs/dbraw/zinc/40/47/05/650404705.db2.gz HGUDLJGJXXHISK-QWRGUYRKSA-N 0 3 278.849 2.446 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)c1ncc(C)s1 ZINC000876745085 650417184 /nfs/dbraw/zinc/41/71/84/650417184.db2.gz ZLLOKRLSSMQMDW-VIFPVBQESA-N 0 3 287.816 2.273 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc2c1CCN2 ZINC000911861247 638434244 /nfs/dbraw/zinc/43/42/44/638434244.db2.gz GEYPSWBSQKMBID-GFCCVEGCSA-N 0 3 259.353 2.277 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000911931329 638489519 /nfs/dbraw/zinc/48/95/19/638489519.db2.gz URWGBJLAQYOJGL-LBPRGKRZSA-N 0 3 278.352 2.326 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N(C)CCOc1ccccc1 ZINC000911997772 638512260 /nfs/dbraw/zinc/51/22/60/638512260.db2.gz DMSSFDIUCXIEAX-HNNXBMFYSA-N 0 3 276.380 2.207 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1nc2c(s1)CCC2 ZINC000912122503 638565226 /nfs/dbraw/zinc/56/52/26/638565226.db2.gz PLZCOOMOGRTGKN-SECBINFHSA-N 0 3 265.382 2.254 20 30 CEEDHN C#Cc1cccc(CNC(=O)NC2CCN(CC=C)CC2)c1 ZINC000836316633 638597857 /nfs/dbraw/zinc/59/78/57/638597857.db2.gz BPACUKOEEYYRPO-UHFFFAOYSA-N 0 3 297.402 2.118 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1sccc1C ZINC000912258694 638618948 /nfs/dbraw/zinc/61/89/48/638618948.db2.gz KYJCYLJOZFKPEM-LLVKDONJSA-N 0 3 252.383 2.356 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)CCC=C(C)C ZINC000836490949 638648921 /nfs/dbraw/zinc/64/89/21/638648921.db2.gz CLXYQEIFZXEHKL-OAHLLOKOSA-N 0 3 279.428 2.376 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000836489445 638649376 /nfs/dbraw/zinc/64/93/76/638649376.db2.gz ZQQHCDBLRXDQCP-OWCLPIDISA-N 0 3 291.439 2.210 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC[C@H](CC(C)(C)C)C1 ZINC000836491408 638649614 /nfs/dbraw/zinc/64/96/14/638649614.db2.gz RENRZONBJODDNZ-OAHLLOKOSA-N 0 3 293.455 2.409 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(COC)c1 ZINC000912403288 638680997 /nfs/dbraw/zinc/68/09/97/638680997.db2.gz CUEBWJIIJPTRSY-AWEZNQCLSA-N 0 3 262.353 2.455 20 30 CEEDHN C=C(CC)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000837100040 639048363 /nfs/dbraw/zinc/04/83/63/639048363.db2.gz CDROVXIHUCYLMY-CQSZACIVSA-N 0 3 256.365 2.281 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000876874440 650467947 /nfs/dbraw/zinc/46/79/47/650467947.db2.gz FZWHHCCKISZZKJ-ZMLRMANQSA-N 0 3 258.793 2.493 20 30 CEEDHN CCc1ccc([C@@H](CNC(=O)C#CC2CC2)N(C)C)cc1 ZINC000837315675 639181956 /nfs/dbraw/zinc/18/19/56/639181956.db2.gz BAVYLJXMUHWFFX-QGZVFWFLSA-N 0 3 284.403 2.381 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)c1ncc(C)s1 ZINC000876896986 650477110 /nfs/dbraw/zinc/47/71/10/650477110.db2.gz OOJCRWVTTZSHIJ-OIBJUYFYSA-N 0 3 287.816 2.141 20 30 CEEDHN CC#CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC000913100270 639201558 /nfs/dbraw/zinc/20/15/58/639201558.db2.gz QJKFFTSDHREVRT-ZBFHGGJFSA-N 0 3 270.376 2.037 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)C#CC2CC2)N(C)C)cc1 ZINC000837370417 639206244 /nfs/dbraw/zinc/20/62/44/639206244.db2.gz UCKFMKGCGPOPGT-INIZCTEOSA-N 0 3 270.376 2.127 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000876619156 639325205 /nfs/dbraw/zinc/32/52/05/639325205.db2.gz PIPQRCMLCWEZPJ-USWWRNFRSA-N 0 3 258.793 2.399 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@](C)(CC)c1nccs1 ZINC000876771306 639368745 /nfs/dbraw/zinc/36/87/45/639368745.db2.gz PVNNACSLJZZBIU-CABZTGNLSA-N 0 3 287.816 2.354 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1cnn(CC)c1)C(C)C ZINC000876947574 650500830 /nfs/dbraw/zinc/50/08/30/650500830.db2.gz CTMUQKDTBLWOKV-CYBMUJFWSA-N 0 3 298.818 2.110 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1Cc2ccc(OC)cc2C1 ZINC000876953102 650503497 /nfs/dbraw/zinc/50/34/97/650503497.db2.gz JCGJAANIMWGYMQ-CYBMUJFWSA-N 0 3 280.755 2.007 20 30 CEEDHN C=C(Br)CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000228195673 639625128 /nfs/dbraw/zinc/62/51/28/639625128.db2.gz HCULAGWZKCBGFB-IVZWLZJFSA-N 0 3 260.175 2.298 20 30 CEEDHN C#CCOC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000170884144 639681946 /nfs/dbraw/zinc/68/19/46/639681946.db2.gz KDILIAUVGNTRTQ-UHFFFAOYSA-N 0 3 286.375 2.007 20 30 CEEDHN Cc1cc(N(C)C)ccc1C=NN[C@H]1CCCOC1 ZINC000841637009 639805469 /nfs/dbraw/zinc/80/54/69/639805469.db2.gz DLIVKJVQWGVWLP-AWEZNQCLSA-N 0 3 261.369 2.164 20 30 CEEDHN CC(NNc1ccc(-n2ccnc2)nn1)=C1CC1(F)F ZINC000841636571 639805633 /nfs/dbraw/zinc/80/56/33/639805633.db2.gz WKDYIUISUCUXLQ-VIFPVBQESA-N 0 3 278.266 2.105 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)CCC(F)(F)F ZINC000173944578 639885809 /nfs/dbraw/zinc/88/58/09/639885809.db2.gz JBGORSOSUFBOMN-SECBINFHSA-N 0 3 278.274 2.344 20 30 CEEDHN CO[C@H](CN[C@H](C)CC1(C#N)CCOCC1)C(F)(F)F ZINC000877027522 650537357 /nfs/dbraw/zinc/53/73/57/650537357.db2.gz NZFBYXSIZFLRHN-GHMZBOCLSA-N 0 3 294.317 2.252 20 30 CEEDHN C[C@]1(C(=O)C(C#N)C(=O)NC2CC2)C[C@@H]1c1ccccc1 ZINC000842289380 639998472 /nfs/dbraw/zinc/99/84/72/639998472.db2.gz PCIWFXMGFJNRJX-VBQJREDUSA-N 0 3 282.343 2.168 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3C3CC3)CCC[C@@H]12 ZINC000992346364 640029894 /nfs/dbraw/zinc/02/98/94/640029894.db2.gz TXXBPGIWWCGYNK-LHHMISFZSA-N 0 3 286.419 2.169 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ncccc3F)CCC[C@H]12 ZINC000992377996 640036879 /nfs/dbraw/zinc/03/68/79/640036879.db2.gz LZGMPCDOTONINI-XJKSGUPXSA-N 0 3 289.354 2.134 20 30 CEEDHN C=CCCCC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000877055058 650550798 /nfs/dbraw/zinc/55/07/98/650550798.db2.gz OCMSOMVPZKNCMK-UHFFFAOYSA-N 0 3 260.337 2.463 20 30 CEEDHN C#CCN(C(=O)NCCCCCC)C1CCN(C)CC1 ZINC000913839276 640131466 /nfs/dbraw/zinc/13/14/66/640131466.db2.gz PFMGMUYLHQUIAQ-UHFFFAOYSA-N 0 3 279.428 2.306 20 30 CEEDHN C#CCN(C(=O)N[C@H](C)[C@@H](C)CC)C1CCN(C)CC1 ZINC000914365579 640326642 /nfs/dbraw/zinc/32/66/42/640326642.db2.gz WREDIZHOYCLVMV-UONOGXRCSA-N 0 3 279.428 2.160 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(F)c2)[C@@H]1C ZINC000992985723 640394019 /nfs/dbraw/zinc/39/40/19/640394019.db2.gz BZLFOMQDZOBJPP-BBRMVZONSA-N 0 3 288.366 2.432 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cc(C)on2)[C@@H]1C ZINC000993148191 640484261 /nfs/dbraw/zinc/48/42/61/640484261.db2.gz BEZJJLGVRNJXAO-DZGCQCFKSA-N 0 3 291.395 2.071 20 30 CEEDHN C#C[C@H](NC(=O)[C@@H]1CCCN1CCC)c1ccccc1 ZINC000843966310 640566366 /nfs/dbraw/zinc/56/63/66/640566366.db2.gz BCDAKLHDMHETQN-HOTGVXAUSA-N 0 3 270.376 2.352 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(C3CC3)CC2)[C@@H]1C ZINC000993487660 640652159 /nfs/dbraw/zinc/65/21/59/640652159.db2.gz MGTYESQCHHIRJL-DZGCQCFKSA-N 0 3 274.408 2.169 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(Cl)[nH]2)[C@@H]1C ZINC000993767234 640675495 /nfs/dbraw/zinc/67/54/95/640675495.db2.gz XMMCREYUJWXNHX-RYUDHWBXSA-N 0 3 293.798 2.274 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2csc(C)n2)[C@@H]1C ZINC000993734246 640675754 /nfs/dbraw/zinc/67/57/54/640675754.db2.gz SVXDWELIYCXMCX-WCQYABFASA-N 0 3 291.420 2.058 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2conc2C)[C@H]1C ZINC000993761938 640676467 /nfs/dbraw/zinc/67/64/67/640676467.db2.gz PLONCSLMPOAXHF-TZMCWYRMSA-N 0 3 277.368 2.142 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2occc2CC)[C@H]1C ZINC000993785311 640678813 /nfs/dbraw/zinc/67/88/13/640678813.db2.gz DSMGJTBCIDACBE-UKRRQHHQSA-N 0 3 288.391 2.448 20 30 CEEDHN C#CCOc1cccc(-c2noc(C3(CN(C)C)CC3)n2)c1 ZINC000923862024 640827593 /nfs/dbraw/zinc/82/75/93/640827593.db2.gz PEHJSKVZHIBJBT-UHFFFAOYSA-N 0 3 297.358 2.342 20 30 CEEDHN CNC(=O)C(C#N)C(=O)CSc1ccc(C(C)C)cc1 ZINC000917001576 640837057 /nfs/dbraw/zinc/83/70/57/640837057.db2.gz AHFONPBWPBIPNY-ZDUSSCGKSA-N 0 3 290.388 2.357 20 30 CEEDHN C=C[C@@H](C)ONC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000845633460 641030094 /nfs/dbraw/zinc/03/00/94/641030094.db2.gz PJKZXIRAMCJMAO-SHARSMKWSA-N 0 3 295.427 2.398 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000845733842 641064679 /nfs/dbraw/zinc/06/46/79/641064679.db2.gz DRWXYZYOUDAVAN-STQMWFEESA-N 0 3 269.385 2.384 20 30 CEEDHN CCON1CCC(NCc2cc(C#N)ccc2F)CC1 ZINC000925478063 641116826 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642950933 /nfs/dbraw/zinc/95/09/33/642950933.db2.gz UJABBQQFUOPSPB-AAEUAGOBSA-N 0 3 266.414 2.228 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc3[nH]c(C)nc3c2)CC1 ZINC001003855726 643006551 /nfs/dbraw/zinc/00/65/51/643006551.db2.gz FCTXABRAWZBQRO-UHFFFAOYSA-N 0 3 298.390 2.252 20 30 CEEDHN COC(OC)[C@H](C)NCc1cccc(OCCCC#N)c1 ZINC000922312071 643018670 /nfs/dbraw/zinc/01/86/70/643018670.db2.gz RCAGRRNDGRSROF-ZDUSSCGKSA-N 0 3 292.379 2.466 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cc(C)cnc1Cl ZINC000922335687 643033962 /nfs/dbraw/zinc/03/39/62/643033962.db2.gz NNJHRIOPPWUARX-GFCCVEGCSA-N 0 3 254.761 2.460 20 30 CEEDHN COC[C@H](NCc1csc(C#N)c1)[C@@H]1CCCOC1 ZINC000922341994 643039799 /nfs/dbraw/zinc/03/97/99/643039799.db2.gz BBXGKXKDUGMPPW-OCCSQVGLSA-N 0 3 280.393 2.151 20 30 CEEDHN N#CC1(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)CCCC1 ZINC000877610432 650812917 /nfs/dbraw/zinc/81/29/17/650812917.db2.gz VOAZUKZMLHWULK-UHFFFAOYSA-N 0 3 289.339 2.168 20 30 CEEDHN C#CCOCCN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000851736184 643134957 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/nfs/dbraw/zinc/83/24/39/650832439.db2.gz CLASTELMHUMPRI-CJNGLKHVSA-N 0 3 287.407 2.075 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CCC(=O)O1 ZINC000852192795 643346294 /nfs/dbraw/zinc/34/62/94/643346294.db2.gz UHZHHJOYYDSQSP-RISCZKNCSA-N 0 3 258.321 2.257 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC(C2CCC2)CC1 ZINC000852359966 643408247 /nfs/dbraw/zinc/40/82/47/643408247.db2.gz QJBRZRSZNHCOHS-UHFFFAOYSA-N 0 3 291.439 2.163 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cccn3nccc23)CC1 ZINC001005662584 643428594 /nfs/dbraw/zinc/42/85/94/643428594.db2.gz HTDKIDFIIMRXDU-UHFFFAOYSA-N 0 3 298.390 2.057 20 30 CEEDHN CCC[C@H](CCO)NCc1cc(C#N)cnc1Cl ZINC000877666413 650841403 /nfs/dbraw/zinc/84/14/03/650841403.db2.gz AQSREPQZEMUFDB-GFCCVEGCSA-N 0 3 267.760 2.247 20 30 CEEDHN C#CCCN(CCOC)CCOc1ccccc1OC ZINC000852752179 643536188 /nfs/dbraw/zinc/53/61/88/643536188.db2.gz WHXUYHRSSHVWJX-UHFFFAOYSA-N 0 3 277.364 2.046 20 30 CEEDHN C#CCCN(CCOC)CCOc1ccc(OC)cc1 ZINC000852752912 643537411 /nfs/dbraw/zinc/53/74/11/643537411.db2.gz QEIVORFVQWJKAA-UHFFFAOYSA-N 0 3 277.364 2.046 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)Cc2occc2C)CC1 ZINC001005969457 643586831 /nfs/dbraw/zinc/58/68/31/643586831.db2.gz OGZPNICPWUMJCP-UHFFFAOYSA-N 0 3 276.380 2.239 20 30 CEEDHN CN(CCc1cccc(C#N)c1)Cc1cnc2n1CCC2 ZINC000877705295 650861607 /nfs/dbraw/zinc/86/16/07/650861607.db2.gz YYZJXVVFPJQKHZ-UHFFFAOYSA-N 0 3 280.375 2.375 20 30 CEEDHN CSCCON=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853341088 643748977 /nfs/dbraw/zinc/74/89/77/643748977.db2.gz HOMATXZSZARTAY-UHFFFAOYSA-N 0 3 294.420 2.361 20 30 CEEDHN C#C[C@@H](CC)NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000854079404 643980574 /nfs/dbraw/zinc/98/05/74/643980574.db2.gz XVBZXUNRYHSCDA-WMZOPIPTSA-N 0 3 299.418 2.362 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)CC[C@H]1CCCCO1 ZINC000111944263 643990578 /nfs/dbraw/zinc/99/05/78/643990578.db2.gz LGFJOXAVVGBQOX-ZIAGYGMSSA-N 0 3 294.395 2.351 20 30 CEEDHN C=CCONC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000838704880 643996461 /nfs/dbraw/zinc/99/64/61/643996461.db2.gz XFXOWDKBMCXESW-UHFFFAOYSA-N 0 3 295.358 2.017 20 30 CEEDHN CC(C)(C)C1CC(C(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000838785973 644022187 /nfs/dbraw/zinc/02/21/87/644022187.db2.gz AJKFTYWFXOEHIA-WXRRBKDZSA-N 0 3 276.380 2.390 20 30 CEEDHN COC[C@H](C)CN1CCN(c2ccc(F)cc2C#N)CC1 ZINC000877746742 650892464 /nfs/dbraw/zinc/89/24/64/650892464.db2.gz IYDYQUDCDQXXIW-CYBMUJFWSA-N 0 3 291.370 2.102 20 30 CEEDHN CSC(C)(C)CCN1CCN(CCC#N)CC1 ZINC000877747737 650892856 /nfs/dbraw/zinc/89/28/56/650892856.db2.gz ADGADMYANLQRIJ-UHFFFAOYSA-N 0 3 255.431 2.049 20 30 CEEDHN C[C@H](CCC#N)CN1CCN(C)c2ncccc2C1 ZINC000877776363 650906251 /nfs/dbraw/zinc/90/62/51/650906251.db2.gz HRTNNNIJLFDRMQ-CYBMUJFWSA-N 0 3 258.369 2.273 20 30 CEEDHN CCCCCCCCNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000755079428 644469718 /nfs/dbraw/zinc/46/97/18/644469718.db2.gz SULAPMXKCHUCJY-OAHLLOKOSA-N 0 3 299.459 2.319 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCC2CCC2)CC1 ZINC000755173003 644483348 /nfs/dbraw/zinc/48/33/48/644483348.db2.gz CTALBDGDDRWQHL-UHFFFAOYSA-N 0 3 265.401 2.126 20 30 CEEDHN CCCC[C@H](ON=C(C)C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000856490174 644685762 /nfs/dbraw/zinc/68/57/62/644685762.db2.gz XGUNLLFDGSRJJO-CABCVRRESA-N 0 3 297.443 2.414 20 30 CEEDHN CCc1ccc(C#CC(=O)N2CCN[C@@H](C(C)C)C2)cc1 ZINC000856490305 644686439 /nfs/dbraw/zinc/68/64/39/644686439.db2.gz ZTNFGAVJFYAILI-QGZVFWFLSA-N 0 3 284.403 2.057 20 30 CEEDHN C#Cc1ccc(CNC(C)(C)C(=O)N2CCCC2)cc1 ZINC000809658475 644705491 /nfs/dbraw/zinc/70/54/91/644705491.db2.gz OGNKLISWJQEGRU-UHFFFAOYSA-N 0 3 270.376 2.159 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(C(F)F)nc2)CC1 ZINC000857643775 644940828 /nfs/dbraw/zinc/94/08/28/644940828.db2.gz KVCGOGNYVBEXNK-UHFFFAOYSA-N 0 3 293.317 2.303 20 30 CEEDHN C#CCN(C[C@H](O)CC(C)(C)O)[C@H]1CCc2ccccc21 ZINC000877992106 650969821 /nfs/dbraw/zinc/96/98/21/650969821.db2.gz WWOKNRYPTUFAFW-WBVHZDCISA-N 0 3 287.403 2.131 20 30 CEEDHN C#CC[C@@H](COC)NCc1cn(-c2ccccc2)nc1C ZINC000858335976 645124251 /nfs/dbraw/zinc/12/42/51/645124251.db2.gz QAQNNGSWBLTKHZ-INIZCTEOSA-N 0 3 283.375 2.309 20 30 CEEDHN CCc1ccc(OCC(=O)C(C#N)c2ccncn2)cc1 ZINC000760337984 645142429 /nfs/dbraw/zinc/14/24/29/645142429.db2.gz CNVZTLBYWKEUOB-CQSZACIVSA-N 0 3 281.315 2.294 20 30 CEEDHN C#C[C@H]1CCCN(C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000858872273 645277592 /nfs/dbraw/zinc/27/75/92/645277592.db2.gz WZQVNVBCLLXOQH-GOEBONIOSA-N 0 3 289.423 2.058 20 30 CEEDHN C#C[C@@H]1CCCN(C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000858872275 645277984 /nfs/dbraw/zinc/27/79/84/645277984.db2.gz WZQVNVBCLLXOQH-ZBFHGGJFSA-N 0 3 289.423 2.058 20 30 CEEDHN COc1ccc([C@H](C)NCCO[C@H](C)C#N)c(OC)c1 ZINC000859631787 645546374 /nfs/dbraw/zinc/54/63/74/645546374.db2.gz SQGRVIHGXHTQJI-NEPJUHHUSA-N 0 3 278.352 2.283 20 30 CEEDHN C=C(C)C[C@H](CO)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000878182638 651027156 /nfs/dbraw/zinc/02/71/56/651027156.db2.gz OYTQRPCLRMMDEB-OAHLLOKOSA-N 0 3 291.395 2.197 20 30 CEEDHN C#CCNC(=O)CN1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000859803496 645607444 /nfs/dbraw/zinc/60/74/44/645607444.db2.gz BWPBWEJIUGTRSD-HNNXBMFYSA-N 0 3 288.366 2.143 20 30 CEEDHN N#CC(C(=O)[C@@H]1C[C@@]12CCOC2)c1nc2ccccc2[nH]1 ZINC000764758590 645685717 /nfs/dbraw/zinc/68/57/17/645685717.db2.gz MQKLDIMROLIVFO-OHUAYANFSA-N 0 3 281.315 2.166 20 30 CEEDHN C#CCCCCCN(CCS(C)(=O)=O)C(C)(C)C ZINC000878202754 651036275 /nfs/dbraw/zinc/03/62/75/651036275.db2.gz XGSCWPVBTDZTSW-UHFFFAOYSA-N 0 3 273.442 2.325 20 30 CEEDHN CC(C)Cc1nc(C#N)c(N=NC2CCN3CCC[C@H]23)o1 ZINC000765571496 645786319 /nfs/dbraw/zinc/78/63/19/645786319.db2.gz KJPPSPCUBUNWLL-CYBMUJFWSA-N 0 3 287.367 2.381 20 30 CEEDHN CCC[C@@H](OCC)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000860465611 645799542 /nfs/dbraw/zinc/79/95/42/645799542.db2.gz KZSDRXZVXFJPSZ-TZMCWYRMSA-N 0 3 275.352 2.475 20 30 CEEDHN N=C(N)NN=Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000766689690 645911753 /nfs/dbraw/zinc/91/17/53/645911753.db2.gz FVNKXSDXWNVWLG-UHFFFAOYSA-N 0 3 286.310 2.222 20 30 CEEDHN CN(CC(=O)NCc1ccco1)CC(C)(C)CCC#N ZINC000768195541 646095340 /nfs/dbraw/zinc/09/53/40/646095340.db2.gz MCMATCAMNFAESW-UHFFFAOYSA-N 0 3 277.368 2.158 20 30 CEEDHN C=CCC(CC=C)C(=O)OC[C@@]1(C)C[C@H](OC)CN1C ZINC000861348992 646140832 /nfs/dbraw/zinc/14/08/32/646140832.db2.gz HUSLOOCLLKNRRJ-GOEBONIOSA-N 0 3 281.396 2.407 20 30 CEEDHN C#CC[C@H]1CCN(Cc2nn(C)c3ccccc23)C1 ZINC000862444669 646462523 /nfs/dbraw/zinc/46/25/23/646462523.db2.gz FMEDDUSEDXZBBQ-ZDUSSCGKSA-N 0 3 253.349 2.419 20 30 CEEDHN C#CC[C@@H]1CCN(Cc2cc(C(=O)OC)oc2C)C1 ZINC000862448002 646465273 /nfs/dbraw/zinc/46/52/73/646465273.db2.gz USORINZGEDZHSY-GFCCVEGCSA-N 0 3 261.321 2.220 20 30 CEEDHN C#CCCCCC(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000773433095 646738388 /nfs/dbraw/zinc/73/83/88/646738388.db2.gz YKHYPOAJPGXWED-HZPDHXFCSA-N 0 3 294.439 2.186 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000773595977 646761464 /nfs/dbraw/zinc/76/14/64/646761464.db2.gz JMMKLQLWZAWXKD-PBHICJAKSA-N 0 3 299.418 2.144 20 30 CEEDHN C#CCNC(=O)CNC1(c2cccc(Cl)c2)CCCC1 ZINC000775538696 646964474 /nfs/dbraw/zinc/96/44/74/646964474.db2.gz NTSOEBNUBOIVNF-UHFFFAOYSA-N 0 3 290.794 2.448 20 30 CEEDHN N#CCc1ccsc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000865124193 647183611 /nfs/dbraw/zinc/18/36/11/647183611.db2.gz DLDACQCPFWXYNZ-CYBMUJFWSA-N 0 3 289.404 2.124 20 30 CEEDHN C#CC[C@@H](COC)NCc1ccc(C(F)F)nc1 ZINC000865646740 647404941 /nfs/dbraw/zinc/40/49/41/647404941.db2.gz YORQGWHULYKWMP-NSHDSACASA-N 0 3 254.280 2.147 20 30 CEEDHN Cn1ccc(CC(=O)C(C#N)c2nc3ccccc3s2)n1 ZINC000782577577 647637762 /nfs/dbraw/zinc/63/77/62/647637762.db2.gz PTSLCJOPZCZLCI-LLVKDONJSA-N 0 3 296.355 2.449 20 30 CEEDHN C#CCOCCN[C@H](CC)c1cccc(OC)c1OC ZINC000866338558 647742497 /nfs/dbraw/zinc/74/24/97/647742497.db2.gz UALFUQKGNHYNSS-CQSZACIVSA-N 0 3 277.364 2.394 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)c1cccs1 ZINC000121766063 647952451 /nfs/dbraw/zinc/95/24/51/647952451.db2.gz DMGMKGVHJQSYML-VHSXEESVSA-N 0 3 264.350 2.085 20 30 CEEDHN C=CCCOCC(=O)N1c2ccccc2[C@@H](N)C1(C)C ZINC000867990335 648013328 /nfs/dbraw/zinc/01/33/28/648013328.db2.gz WGZUWANTRANAQE-OAHLLOKOSA-N 0 3 274.364 2.404 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1nc(C(C)(C)C)cs1 ZINC000868581527 648181587 /nfs/dbraw/zinc/18/15/87/648181587.db2.gz IMDKSPLCIORBPN-UHFFFAOYSA-N 0 3 293.436 2.126 20 30 CEEDHN COc1cc(CN(C)C)ccc1NC(=O)c1ccc(C#N)o1 ZINC000868817400 648276243 /nfs/dbraw/zinc/27/62/43/648276243.db2.gz FGVLDQIINUOGHX-UHFFFAOYSA-N 0 3 299.330 2.474 20 30 CEEDHN C#CCCOc1ccc(C[NH2+]Cc2ncccc2[O-])cc1 ZINC000793258734 648732626 /nfs/dbraw/zinc/73/26/26/648732626.db2.gz NEABFDUKILWHFF-UHFFFAOYSA-N 0 3 282.343 2.479 20 30 CEEDHN C=C(CN(C)C)C(=O)N(C[C@@H]1CCC[C@@H](C)C1)OC ZINC000794330378 648854807 /nfs/dbraw/zinc/85/48/07/648854807.db2.gz OTCQVZROEBJPLZ-TZMCWYRMSA-N 0 3 268.401 2.321 20 30 CEEDHN N#CCC[C@H](C#N)CNC[C@@H]1C[C@H]1C1CCOCC1 ZINC000871922309 649216729 /nfs/dbraw/zinc/21/67/29/649216729.db2.gz WYXNXALIEFGVQN-SNPRPXQTSA-N 0 3 261.369 2.082 20 30 CEEDHN C#C[C@H]1CC[C@H](NCc2c(Cl)cnn2C)CC1 ZINC000873198424 649585505 /nfs/dbraw/zinc/58/55/05/649585505.db2.gz JTHGNYGERNQMIR-XYPYZODXSA-N 0 3 251.761 2.355 20 30 CEEDHN C=CCN1CCC(NC(=O)c2coc(C(C)(C)C)n2)CC1 ZINC000874436344 649774578 /nfs/dbraw/zinc/77/45/78/649774578.db2.gz CBLKHVIQMPPBPD-UHFFFAOYSA-N 0 3 291.395 2.352 20 30 CEEDHN CCc1ccc(C#CC(=O)N2CC[C@H]3[C@H]2CCCN3C)cc1 ZINC000874826350 649843007 /nfs/dbraw/zinc/84/30/07/649843007.db2.gz NIQZVICJHSBNCM-ZWKOTPCHSA-N 0 3 296.414 2.296 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874834514 649846343 /nfs/dbraw/zinc/84/63/43/649846343.db2.gz SHMLWFMUFNBCMF-JKSUJKDBSA-N 0 3 283.375 2.175 20 30 CEEDHN C=CC[C@H](C(=O)OC)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000878666829 651158622 /nfs/dbraw/zinc/15/86/22/651158622.db2.gz VOJDTMDTFXKOQH-YJNKXOJESA-N 0 3 281.396 2.120 20 30 CEEDHN C[C@@H]1CN(C[C@H]2CCC3(CCC3)O2)C[C@H](C)N1CC#N ZINC000878771385 651182465 /nfs/dbraw/zinc/18/24/65/651182465.db2.gz JYIZSBPVTWIRKF-QLFBSQMISA-N 0 3 277.412 2.006 20 30 CEEDHN N#Cc1ccc(CN(CC2CC2)[C@H](C(N)=O)C2CC2)cc1 ZINC000879486015 651310132 /nfs/dbraw/zinc/31/01/32/651310132.db2.gz JCGNOCSRUZMVAB-INIZCTEOSA-N 0 3 283.375 2.034 20 30 CEEDHN CSCCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585506 651327657 /nfs/dbraw/zinc/32/76/57/651327657.db2.gz GVZSMZFUHPWCQN-UHFFFAOYSA-N 0 3 275.421 2.433 20 30 CEEDHN C=CCN1CC[C@@H](N[C@@H]2CC=CC[C@H]2C(F)(F)F)C1=O ZINC000879671242 651337798 /nfs/dbraw/zinc/33/77/98/651337798.db2.gz ATTWRYVDSQEUAU-IJLUTSLNSA-N 0 3 288.313 2.260 20 30 CEEDHN CC#CCCN(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880079200 651382625 /nfs/dbraw/zinc/38/26/25/651382625.db2.gz HDXWKCOCNPBKLA-OAHLLOKOSA-N 0 3 272.348 2.357 20 30 CEEDHN CO[C@@]1(C(F)(F)F)CCN(CCCCC#N)C1 ZINC000880304442 651420563 /nfs/dbraw/zinc/42/05/63/651420563.db2.gz ZGAGESSBNFFJQS-JTQLQIEISA-N 0 3 250.264 2.333 20 30 CEEDHN C#CCC1(O)CCN(CC[C@H]2CC2(Cl)Cl)CC1 ZINC000880483027 651444560 /nfs/dbraw/zinc/44/45/60/651444560.db2.gz ZBTBNTHXXJVGCZ-NSHDSACASA-N 0 3 276.207 2.421 20 30 CEEDHN C#CCC1(O)CCN(CCOc2cccc(CC)c2)CC1 ZINC000880477240 651447487 /nfs/dbraw/zinc/44/74/87/651447487.db2.gz DAJGCJFGSUWWJS-UHFFFAOYSA-N 0 3 287.403 2.478 20 30 CEEDHN COCC#CCN1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880552029 651459653 /nfs/dbraw/zinc/45/96/53/651459653.db2.gz ORENKISUXZCWOL-MRXNPFEDSA-N 0 3 270.376 2.121 20 30 CEEDHN C#CCCN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000880597518 651468224 /nfs/dbraw/zinc/46/82/24/651468224.db2.gz CMCOTAVUGFQVKM-QWHCGFSZSA-N 0 3 271.282 2.134 20 30 CEEDHN N#Cc1ccc(Cn2cc(CNC3CCCCC3)nn2)o1 ZINC000881303095 651671701 /nfs/dbraw/zinc/67/17/01/651671701.db2.gz RZZUUQCHGYJAPG-UHFFFAOYSA-N 0 3 285.351 2.213 20 30 CEEDHN C#CC[C@H]1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000888893379 651852333 /nfs/dbraw/zinc/85/23/33/651852333.db2.gz CBSCJFFIDDHKON-GOEBONIOSA-N 0 3 289.423 2.058 20 30 CEEDHN Cc1ccc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c(C#N)n1 ZINC000882073425 651952421 /nfs/dbraw/zinc/95/24/21/651952421.db2.gz QWMZGCSKKIAQIQ-VXGBXAGGSA-N 0 3 256.353 2.299 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc(C)c(C)c(O)c2)CC1 ZINC000882119967 651970074 /nfs/dbraw/zinc/97/00/74/651970074.db2.gz PBRRSGSFBSLVLE-UHFFFAOYSA-N 0 3 286.375 2.293 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccccc1OCc1ccncc1 ZINC000883122808 652368883 /nfs/dbraw/zinc/36/88/83/652368883.db2.gz AMHATDFZWRBLLI-KRWDZBQOSA-N 0 3 296.370 2.134 20 30 CEEDHN C#CC[C@@H](CO)NCc1cccc(OCC(F)(F)F)c1 ZINC000883124129 652369421 /nfs/dbraw/zinc/36/94/21/652369421.db2.gz XDBZROUTDSVURV-LBPRGKRZSA-N 0 3 287.281 2.102 20 30 CEEDHN C=CCC[C@H](N[C@H]1CCn2ccnc21)[C@@H]1CCCO1 ZINC000883226191 652406180 /nfs/dbraw/zinc/40/61/80/652406180.db2.gz UGIHRTYMJDQLNH-IHRRRGAJSA-N 0 3 261.369 2.431 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000883400873 652456763 /nfs/dbraw/zinc/45/67/63/652456763.db2.gz XKYXCAFHLXUEGB-IUODEOHRSA-N 0 3 291.391 2.435 20 30 CEEDHN C[C@@H]1CCC[C@H](CNC(=O)C2CC3(C2)CNC[C@@H]3C#N)C1 ZINC000884102596 652709050 /nfs/dbraw/zinc/70/90/50/652709050.db2.gz HXRBOCVTCVPJCG-GMILMZFISA-N 0 3 289.423 2.068 20 30 CEEDHN N#Cc1ccc(C2(NC(=O)[C@H](N)CC3CC3)CCC2)cc1 ZINC000884391208 652830931 /nfs/dbraw/zinc/83/09/31/652830931.db2.gz UNBZDHOZKLOLOD-OAHLLOKOSA-N 0 3 283.375 2.181 20 30 CEEDHN C[C@@H]1CN(c2ncnc3ccc(C#N)cc32)[C@@H](C)CN1C ZINC001164638731 719169075 /nfs/dbraw/zinc/16/90/75/719169075.db2.gz RKRPEQMNHUTQFM-NEPJUHHUSA-N 0 3 281.363 2.030 20 30 CEEDHN CCN(CCC#N)c1cc(OC2CCN(C)CC2)ccn1 ZINC001165047513 721987503 /nfs/dbraw/zinc/98/75/03/721987503.db2.gz BCIAFKMAWJMIBZ-UHFFFAOYSA-N 0 3 288.395 2.295 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2oc(C)nc2C)[C@H]1CC ZINC001087526009 805671567 /nfs/dbraw/zinc/67/15/67/805671567.db2.gz YKFQSECOMLYVJG-UONOGXRCSA-N 0 3 291.395 2.450 20 30 CEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2ncccc2C)C1 ZINC001270949245 805697019 /nfs/dbraw/zinc/69/70/19/805697019.db2.gz AZYXZTQCQAAWNK-QGZVFWFLSA-N 0 3 287.407 2.408 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)Cc2cc(C)cc(C)c2)[C@H]1CC ZINC001087711723 805779065 /nfs/dbraw/zinc/77/90/65/805779065.db2.gz TVPRAYYQPUKPEE-ZWKOTPCHSA-N 0 3 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ZINC001269029847 805028560 /nfs/dbraw/zinc/02/85/60/805028560.db2.gz POLLHRZSFKFPBA-GJZGRUSLSA-N 0 3 280.412 2.102 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)CCCc2cccnc2)C1 ZINC001269078425 805042811 /nfs/dbraw/zinc/04/28/11/805042811.db2.gz IMMNPBPJYXLJLY-INIZCTEOSA-N 0 3 287.407 2.171 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc(C)sc2C)C1 ZINC001028668472 805061202 /nfs/dbraw/zinc/06/12/02/805061202.db2.gz BTYIXWSURLTYFD-AWEZNQCLSA-N 0 3 290.432 2.440 20 30 CEEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(C)on1 ZINC001269194553 805073958 /nfs/dbraw/zinc/07/39/58/805073958.db2.gz IVWIXKWKVOLYMJ-WCQYABFASA-N 0 3 277.368 2.142 20 30 CEEDHN C=C(C)CCC(=O)NC[C@H]1CCN1CCC[C@H]1CCOC1 ZINC001269240633 805096809 /nfs/dbraw/zinc/09/68/09/805096809.db2.gz MPQYXSZIUOEVBR-JKSUJKDBSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001269312761 805125213 /nfs/dbraw/zinc/12/52/13/805125213.db2.gz XORKDWLXUZYVPW-KGLIPLIRSA-N 0 3 262.397 2.333 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001028707896 805142125 /nfs/dbraw/zinc/14/21/25/805142125.db2.gz ZYYOSZGFDNICID-LUKYLMHMSA-N 0 3 288.435 2.274 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001028710752 805145683 /nfs/dbraw/zinc/14/56/83/805145683.db2.gz QDXSWRXJHBAWMF-KGLIPLIRSA-N 0 3 298.377 2.273 20 30 CEEDHN CC#CCNC1(CNC(=O)[C@H]2CCC=CCCC2)CC1 ZINC001269437853 805163167 /nfs/dbraw/zinc/16/31/67/805163167.db2.gz WFVHEBVREKXXQE-HNNXBMFYSA-N 0 3 274.408 2.385 20 30 CEEDHN CC#CCNC1(CNC(=O)CCCC(C)C)CC1 ZINC001269496863 805180323 /nfs/dbraw/zinc/18/03/23/805180323.db2.gz DHIXYUVEEZGHQB-UHFFFAOYSA-N 0 3 250.386 2.074 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2c(C)cc(F)cc2C)C1 ZINC001028732834 805185834 /nfs/dbraw/zinc/18/58/34/805185834.db2.gz OVVNTYGYQNASJW-AWEZNQCLSA-N 0 3 288.366 2.127 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001028777621 805242369 /nfs/dbraw/zinc/24/23/69/805242369.db2.gz NDYIRYXUYXPSST-ZDUSSCGKSA-N 0 3 290.794 2.333 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ZINC001049404872 808807129 /nfs/dbraw/zinc/80/71/29/808807129.db2.gz SYVHQMGQYVNTHM-FVQBIDKESA-N 0 3 274.408 2.121 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1 ZINC001032749416 808829415 /nfs/dbraw/zinc/82/94/15/808829415.db2.gz BUYAXJONROAQBH-HOTGVXAUSA-N 0 3 270.376 2.470 20 30 CEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ccon2)C12CCC2 ZINC001078564825 808918674 /nfs/dbraw/zinc/91/86/74/808918674.db2.gz XMHXPLZSLMNMPX-VXGBXAGGSA-N 0 3 295.770 2.058 20 30 CEEDHN C#CCN(CC#C)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171907378 815249176 /nfs/dbraw/zinc/24/91/76/815249176.db2.gz SIQANHURDIREMW-SFHVURJKSA-N 0 3 294.398 2.250 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C(=O)CC2CCCC2)C1 ZINC001032876546 809103246 /nfs/dbraw/zinc/10/32/46/809103246.db2.gz KHQHXCUOTDLUKD-CQSZACIVSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001032922326 809118456 /nfs/dbraw/zinc/11/84/56/809118456.db2.gz URTCFEIKDVYRIW-ZDUSSCGKSA-N 0 3 274.364 2.115 20 30 CEEDHN C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001032922326 809118459 /nfs/dbraw/zinc/11/84/59/809118459.db2.gz URTCFEIKDVYRIW-ZDUSSCGKSA-N 0 3 274.364 2.115 20 30 CEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2oc(C)nc2C)C1 ZINC001032970433 809130833 /nfs/dbraw/zinc/13/08/33/809130833.db2.gz QEUPWGADDKDYRR-CYBMUJFWSA-N 0 3 277.368 2.014 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cncc(C)c2)C1 ZINC001032977039 809132353 /nfs/dbraw/zinc/13/23/53/809132353.db2.gz QZCJUXFIURDFEC-OAHLLOKOSA-N 0 3 273.380 2.112 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2=CCCCCC2)C1 ZINC001033032101 809152428 /nfs/dbraw/zinc/15/24/28/809152428.db2.gz FYCUVKOEVIOQCZ-MRXNPFEDSA-N 0 3 274.408 2.433 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccnn2C(C)C)C1 ZINC001033110481 809181895 /nfs/dbraw/zinc/18/18/95/809181895.db2.gz JWPGHPMJMUTLGX-AWEZNQCLSA-N 0 3 290.411 2.186 20 30 CEEDHN CNC(=O)C(C#N)C(=O)CCSc1ccc(Cl)cc1 ZINC000133216252 809248278 /nfs/dbraw/zinc/24/82/78/809248278.db2.gz QSYRKUSWPVJROH-LLVKDONJSA-N 0 3 296.779 2.277 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001033259116 809251508 /nfs/dbraw/zinc/25/15/08/809251508.db2.gz JLIMUZCPIWTSTI-GJZGRUSLSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc3cn[nH]c32)C1 ZINC001033316922 809265635 /nfs/dbraw/zinc/26/56/35/809265635.db2.gz ANVBDOYGFIMVLR-AWEZNQCLSA-N 0 3 298.390 2.285 20 30 CEEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001033330553 809271846 /nfs/dbraw/zinc/27/18/46/809271846.db2.gz XPWNIMDIZPGYBL-GJZGRUSLSA-N 0 3 262.397 2.452 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001033347863 809279377 /nfs/dbraw/zinc/27/93/77/809279377.db2.gz QYQVYIWNUMDLLY-YJNKXOJESA-N 0 3 262.397 2.141 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc[nH]c2C(C)C)C1 ZINC001033344766 809279501 /nfs/dbraw/zinc/27/95/01/809279501.db2.gz SEZGGGTUVVVFKY-CQSZACIVSA-N 0 3 287.407 2.308 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2cccc(C)c2)C1 ZINC001033381297 809283914 /nfs/dbraw/zinc/28/39/14/809283914.db2.gz VYLVORIHWWFVEN-MRXNPFEDSA-N 0 3 272.392 2.256 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2Cc3ccccc32)C1 ZINC001033372212 809285777 /nfs/dbraw/zinc/28/57/77/809285777.db2.gz FNGFLMGRIIXJGM-RDJZCZTQSA-N 0 3 284.403 2.435 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc3nc[nH]c32)C1 ZINC001033523529 809327082 /nfs/dbraw/zinc/32/70/82/809327082.db2.gz RUGJHIZHVUZKER-CYBMUJFWSA-N 0 3 298.390 2.285 20 30 CEEDHN C=C(C)CCN1CC[C@H](N(C)C(=O)c2nccs2)C1 ZINC001033528284 809329252 /nfs/dbraw/zinc/32/92/52/809329252.db2.gz ZHBMEALLDJMJGI-LBPRGKRZSA-N 0 3 279.409 2.256 20 30 CEEDHN C=CCOCCCNCc1c(C)nn(C)c1Cl ZINC000700806524 809355160 /nfs/dbraw/zinc/35/51/60/809355160.db2.gz ZEIAFRAAHUAYJY-UHFFFAOYSA-N 0 3 257.765 2.064 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc[nH]c2CC)C1 ZINC001033824425 809424264 /nfs/dbraw/zinc/42/42/64/809424264.db2.gz QWGRRWUKXKSXMQ-CQSZACIVSA-N 0 3 287.407 2.137 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc3occc3[nH]2)C1 ZINC001033850066 809434825 /nfs/dbraw/zinc/43/48/25/809434825.db2.gz CSEUIBOWMDRLDU-ZDUSSCGKSA-N 0 3 299.374 2.321 20 30 CEEDHN C=CCn1cccc1C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC001033853853 809436270 /nfs/dbraw/zinc/43/62/70/809436270.db2.gz FDYOOXXRUHOCCR-CQSZACIVSA-N 0 3 275.396 2.230 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)CC2=CCCCC2)[C@H](O)C1 ZINC001090149551 809445275 /nfs/dbraw/zinc/44/52/75/809445275.db2.gz MIKPYKOJRJWRDG-HZPDHXFCSA-N 0 3 292.423 2.004 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001033904488 809448497 /nfs/dbraw/zinc/44/84/97/809448497.db2.gz UJMZZKNLOKJLMB-OAGGEKHMSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCCO[C@H]2CC)CC1 ZINC001005490570 809466459 /nfs/dbraw/zinc/46/64/59/809466459.db2.gz CSVVFRCFQOJSGI-CVEARBPZSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2c[nH]cc2C)C1 ZINC001034040212 809485281 /nfs/dbraw/zinc/48/52/81/809485281.db2.gz QIEVUWCUVLZEKN-CQSZACIVSA-N 0 3 275.396 2.436 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001034095665 809510312 /nfs/dbraw/zinc/51/03/12/809510312.db2.gz OMXWRMOSNKFSOT-HUUCEWRRSA-N 0 3 262.397 2.499 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(F)cn2)C1 ZINC001034174594 809537617 /nfs/dbraw/zinc/53/76/17/809537617.db2.gz UPBUBZSGJLCCSM-CQSZACIVSA-N 0 3 291.370 2.381 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001034185363 809543561 /nfs/dbraw/zinc/54/35/61/809543561.db2.gz PXXABEPCBRNBMW-AGIUHOORSA-N 0 3 286.366 2.434 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)c3occc3C)C2)CC1 ZINC001040607988 809564162 /nfs/dbraw/zinc/56/41/62/809564162.db2.gz LWPUVHCCUKGYQB-UHFFFAOYSA-N 0 3 286.375 2.149 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CCc3cccnc32)C1 ZINC001034365126 809591970 /nfs/dbraw/zinc/59/19/70/809591970.db2.gz PHRHENPXHDLFAZ-HZPDHXFCSA-N 0 3 299.418 2.268 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001034481456 809615387 /nfs/dbraw/zinc/61/53/87/809615387.db2.gz BFGYYNAIDSOSSF-AWEZNQCLSA-N 0 3 287.407 2.274 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@]2(C)CCCOC2)C1 ZINC001034468987 809615667 /nfs/dbraw/zinc/61/56/67/809615667.db2.gz UKWQYZGDACPAID-WBVHZDCISA-N 0 3 294.439 2.350 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCCN(CC(=C)C)C2)cn1 ZINC001034492831 809616733 /nfs/dbraw/zinc/61/67/33/809616733.db2.gz HWUYQAOUKPXLSR-QGZVFWFLSA-N 0 3 297.402 2.223 20 30 CEEDHN C#CCNCCN(CCc1ccccc1)C(=O)C(C)(C)F ZINC001162660920 809723558 /nfs/dbraw/zinc/72/35/58/809723558.db2.gz YETCYLPYYWTTKB-UHFFFAOYSA-N 0 3 290.382 2.029 20 30 CEEDHN C#CCC1(C(=O)NCCNCc2cccc(F)c2)CCC1 ZINC001129121178 809764618 /nfs/dbraw/zinc/76/46/18/809764618.db2.gz MRLGODCVHRYNHU-UHFFFAOYSA-N 0 3 288.366 2.225 20 30 CEEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)[C@@]12C[C@@H]1CCCC2 ZINC000709253672 809958870 /nfs/dbraw/zinc/95/88/70/809958870.db2.gz ZBYSLVHDWSABJX-TTZDDIAXSA-N 0 3 277.412 2.483 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CC(C)C2)C1 ZINC001079552171 810220061 /nfs/dbraw/zinc/22/00/61/810220061.db2.gz QACCCTXDPVUJHK-FKZOYECMSA-N 0 3 250.386 2.045 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001079943031 810240916 /nfs/dbraw/zinc/24/09/16/810240916.db2.gz MHFHNGGJBFQXGX-VNHYZAJKSA-N 0 3 264.413 2.435 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001080402316 810279367 /nfs/dbraw/zinc/27/93/67/810279367.db2.gz PLSZNLWSGUKZRW-ZYHUDNBSSA-N 0 3 281.787 2.294 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001080560506 810292850 /nfs/dbraw/zinc/29/28/50/810292850.db2.gz NYNLVQHGXRSWJQ-ZYHUDNBSSA-N 0 3 296.823 2.475 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)c(C)c2)C1 ZINC001080621102 810298249 /nfs/dbraw/zinc/29/82/49/810298249.db2.gz OSLLBTNDFPIELN-UKRRQHHQSA-N 0 3 288.391 2.240 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccccc2C)C1 ZINC001080916698 810318083 /nfs/dbraw/zinc/31/80/83/810318083.db2.gz BESGOLKABUIETL-GDBMZVCRSA-N 0 3 272.392 2.160 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001080915988 810318921 /nfs/dbraw/zinc/31/89/21/810318921.db2.gz YLROTSJEIKGRON-MLGOLLRUSA-N 0 3 289.423 2.268 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001015630158 810318937 /nfs/dbraw/zinc/31/89/37/810318937.db2.gz TWSAYJUTFLYIQZ-JTQLQIEISA-N 0 3 298.308 2.484 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC001080965079 810320159 /nfs/dbraw/zinc/32/01/59/810320159.db2.gz RODFZLUDVJOQDD-GDBMZVCRSA-N 0 3 297.402 2.264 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(C(C)C)nc2C)C1 ZINC001015719011 810337427 /nfs/dbraw/zinc/33/74/27/810337427.db2.gz FKCOBAQTDSXLAW-OAHLLOKOSA-N 0 3 299.418 2.341 20 30 CEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001015781025 810352900 /nfs/dbraw/zinc/35/29/00/810352900.db2.gz JICDSOFBJRWLQR-CYBMUJFWSA-N 0 3 289.379 2.322 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001015869593 810366526 /nfs/dbraw/zinc/36/65/26/810366526.db2.gz YEHLHZJARMVHJQ-KBPBESRZSA-N 0 3 288.366 2.143 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2ncoc2C(C)(C)C)C1 ZINC001015960333 810378953 /nfs/dbraw/zinc/37/89/53/810378953.db2.gz QAONEKCNAHWOKF-LBPRGKRZSA-N 0 3 291.395 2.352 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001016043558 810389619 /nfs/dbraw/zinc/38/96/19/810389619.db2.gz FIDQPWCWMDUEFH-LBPRGKRZSA-N 0 3 279.771 2.115 20 30 CEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2cc(Cl)no2)C1 ZINC001016058194 810392249 /nfs/dbraw/zinc/39/22/49/810392249.db2.gz XMWNRZIUWBZHSW-SNVBAGLBSA-N 0 3 283.759 2.098 20 30 CEEDHN C=CCCCC(=O)NCCCNCc1ccc(F)cn1 ZINC001165535813 810409736 /nfs/dbraw/zinc/40/97/36/810409736.db2.gz YKMTWPATVRUYMZ-UHFFFAOYSA-N 0 3 279.359 2.173 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3cccs3)[C@@H]2C1 ZINC001084155661 810438998 /nfs/dbraw/zinc/43/89/98/810438998.db2.gz FHOOLURISXXZCA-UKRRQHHQSA-N 0 3 290.432 2.399 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CC3(C)C)[C@@H]2C1 ZINC001084282061 810459512 /nfs/dbraw/zinc/45/95/12/810459512.db2.gz IKYCJPRTNMWOAF-MGPQQGTHSA-N 0 3 262.397 2.141 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C2C=CC=CC=C2)CC1 ZINC001016646956 810460350 /nfs/dbraw/zinc/46/03/50/810460350.db2.gz VUSQKVAXTAISRV-KRWDZBQOSA-N 0 3 296.414 2.279 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C2CCC(=C)CC2)CC1 ZINC001016802143 810470407 /nfs/dbraw/zinc/47/04/07/810470407.db2.gz DSFZMBRFDYNTPA-MRXNPFEDSA-N 0 3 286.419 2.337 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001016839867 810472443 /nfs/dbraw/zinc/47/24/43/810472443.db2.gz HQNWAKWLLXJCHX-OAGGEKHMSA-N 0 3 288.435 2.273 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CC23CCC3)CC1 ZINC001016859796 810474639 /nfs/dbraw/zinc/47/46/39/810474639.db2.gz NLIUUQPDVZHYPY-GJZGRUSLSA-N 0 3 286.419 2.171 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(C)c(C)cn3)[C@@H]2C1 ZINC001084537125 810477278 /nfs/dbraw/zinc/47/72/78/810477278.db2.gz IILVCCHWATUDDR-NVXWUHKLSA-N 0 3 299.418 2.421 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C2(C)CC(F)(F)C2)CC1 ZINC001016920839 810477416 /nfs/dbraw/zinc/47/74/16/810477416.db2.gz JXCRIMJYHRVBSZ-LBPRGKRZSA-N 0 3 296.361 2.026 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC001121972972 815372484 /nfs/dbraw/zinc/37/24/84/815372484.db2.gz VLBLLQLQVZLGIR-AWEZNQCLSA-N 0 3 299.378 2.104 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCCO1 ZINC001017468077 810526632 /nfs/dbraw/zinc/52/66/32/810526632.db2.gz YDCHOZXCZXPBDO-XHSDSOJGSA-N 0 3 292.423 2.197 20 30 CEEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1C ZINC001273249515 810560245 /nfs/dbraw/zinc/56/02/45/810560245.db2.gz SPELGLGROIQNNB-CZUORRHYSA-N 0 3 285.391 2.152 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C(C)C ZINC001017890347 810567474 /nfs/dbraw/zinc/56/74/74/810567474.db2.gz HDLGPMQSQBCPJQ-XHSDSOJGSA-N 0 3 294.439 2.299 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CC(C)C ZINC001231061554 810582148 /nfs/dbraw/zinc/58/21/48/810582148.db2.gz KSKSPHZFFYKNOY-GJZGRUSLSA-N 0 3 282.428 2.156 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CCC=C ZINC001231062330 810582245 /nfs/dbraw/zinc/58/22/45/810582245.db2.gz OJIIORYMRBDFRU-LSDHHAIUSA-N 0 3 280.412 2.076 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N[C@H](CC)[C@@H]1CCCCO1 ZINC001122053273 815381362 /nfs/dbraw/zinc/38/13/62/815381362.db2.gz ANFLBJQVRDKMGQ-MJBXVCDLSA-N 0 3 268.401 2.134 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)nc1 ZINC001018281325 810602252 /nfs/dbraw/zinc/60/22/52/810602252.db2.gz ZPZQLVGAYQOADD-CALCHBBNSA-N 0 3 299.418 2.184 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cn2cccnc2n1 ZINC001172293305 815383415 /nfs/dbraw/zinc/38/34/15/815383415.db2.gz UTGUAHWLGAWYMI-CYBMUJFWSA-N 0 3 291.358 2.322 20 30 CEEDHN CCCC(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001018414678 810613254 /nfs/dbraw/zinc/61/32/54/810613254.db2.gz HTMJOLYRHBIHKR-AWEZNQCLSA-N 0 3 289.354 2.188 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccccc2CCC)C1 ZINC001019123602 810679026 /nfs/dbraw/zinc/67/90/26/810679026.db2.gz QSLFKTTZTWIBHK-HNNXBMFYSA-N 0 3 270.376 2.076 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc(C)cc(Cl)c2)C1 ZINC001019150197 810679988 /nfs/dbraw/zinc/67/99/88/810679988.db2.gz ZLVAECQGCXALBT-AWEZNQCLSA-N 0 3 276.767 2.086 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2nsc3ccc(C)cc32)C1 ZINC001019236001 810687470 /nfs/dbraw/zinc/68/74/70/810687470.db2.gz XBNQWOMHKHIFTJ-LBPRGKRZSA-N 0 3 299.399 2.042 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)C1 ZINC001019323826 810699328 /nfs/dbraw/zinc/69/93/28/810699328.db2.gz COFVNCDNYBIXAU-ZDUSSCGKSA-N 0 3 276.767 2.086 20 30 CEEDHN CC(C)(C)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001019692449 810730315 /nfs/dbraw/zinc/73/03/15/810730315.db2.gz ZKJWDZQMNFKCED-NSHDSACASA-N 0 3 291.420 2.356 20 30 CEEDHN Cc1nc(C)c(C#N)c(SC[C@@H]2CCCN2C)n1 ZINC000826762627 810735699 /nfs/dbraw/zinc/73/56/99/810735699.db2.gz LECKXOTVRKYQMY-NSHDSACASA-N 0 3 262.382 2.151 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)Cc2coc3cc(C)ccc23)C1 ZINC001019744063 810736213 /nfs/dbraw/zinc/73/62/13/810736213.db2.gz CISNPCJANARULS-HNNXBMFYSA-N 0 3 296.370 2.107 20 30 CEEDHN C=CCCCN1CCN(c2ccc(C#N)nc2)CC1 ZINC000282412082 810758181 /nfs/dbraw/zinc/75/81/81/810758181.db2.gz GBHUBMWQKGVXFC-UHFFFAOYSA-N 0 3 256.353 2.041 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccnc(F)c1 ZINC001085510752 810799024 /nfs/dbraw/zinc/79/90/24/810799024.db2.gz CLZMEBYFGZBUGH-AWEZNQCLSA-N 0 3 291.370 2.333 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1c[nH]c2ccccc12 ZINC001122284287 815399268 /nfs/dbraw/zinc/39/92/68/815399268.db2.gz DWTPVORJKVXVIX-LLVKDONJSA-N 0 3 256.309 2.128 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c(C)ccn1C ZINC001085568864 810832084 /nfs/dbraw/zinc/83/20/84/810832084.db2.gz SYMAAXOIDVSKMH-HNNXBMFYSA-N 0 3 289.423 2.446 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1[nH]ccc1C ZINC001085574787 810837352 /nfs/dbraw/zinc/83/73/52/810837352.db2.gz HMNJOMCWMJQBQR-CQSZACIVSA-N 0 3 275.396 2.436 20 30 CEEDHN C=CCn1ncc2ccc(NC(=O)[C@@H](N)CC3CC3)cc21 ZINC001122314864 815401506 /nfs/dbraw/zinc/40/15/06/815401506.db2.gz GPMIQCVCZPYIII-AWEZNQCLSA-N 0 3 284.363 2.288 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ncccc1CC ZINC001038434128 810839685 /nfs/dbraw/zinc/83/96/85/810839685.db2.gz HWXSMBWOOCZJAN-HNNXBMFYSA-N 0 3 287.407 2.414 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001038646965 810878269 /nfs/dbraw/zinc/87/82/69/810878269.db2.gz QJEHANTWPPNSKU-CYBMUJFWSA-N 0 3 273.380 2.272 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(Cl)cn1C ZINC001085711946 810886355 /nfs/dbraw/zinc/88/63/55/810886355.db2.gz WMDZOMKVTBUOEE-ZDUSSCGKSA-N 0 3 295.814 2.401 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CC(F)(F)CC[C@H]1C ZINC001122381702 815406951 /nfs/dbraw/zinc/40/69/51/815406951.db2.gz WPHUFTHVGTZYHH-GHMZBOCLSA-N 0 3 260.328 2.316 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN1CCC(C)C ZINC001038799096 810917004 /nfs/dbraw/zinc/91/70/04/810917004.db2.gz UOWFFGUNTJIQCB-PMPSAXMXSA-N 0 3 294.439 2.204 20 30 CEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCN1CCCC ZINC001038799314 810917463 /nfs/dbraw/zinc/91/74/63/810917463.db2.gz KWKJAKISYOKRJM-PMPSAXMXSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001085808651 810924892 /nfs/dbraw/zinc/92/48/92/810924892.db2.gz JZZSWAACANAWCT-SNVBAGLBSA-N 0 3 298.337 2.070 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC12CCC2 ZINC001085847794 810940237 /nfs/dbraw/zinc/94/02/37/810940237.db2.gz LFHNULMLHUMSOB-KBPBESRZSA-N 0 3 262.397 2.285 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CCCC ZINC001085870271 810950442 /nfs/dbraw/zinc/95/04/42/810950442.db2.gz OSHXQADJCLHPJR-PMPSAXMXSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnn2ccccc12 ZINC001085878030 810952172 /nfs/dbraw/zinc/95/21/72/810952172.db2.gz SBBACMXPBDYLQO-AWEZNQCLSA-N 0 3 298.390 2.057 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(N(C)C)cc1 ZINC001038955542 810955330 /nfs/dbraw/zinc/95/53/30/810955330.db2.gz BHFSGWNYKNYMSZ-MRXNPFEDSA-N 0 3 287.407 2.133 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1nocc1C ZINC001085912654 810964685 /nfs/dbraw/zinc/96/46/85/810964685.db2.gz KLFSOHGXFGLPKH-ZDUSSCGKSA-N 0 3 277.368 2.096 20 30 CEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C=C1CCC1 ZINC001039361604 811018081 /nfs/dbraw/zinc/01/80/81/811018081.db2.gz IMXCJBIUIVAGMZ-CABCVRRESA-N 0 3 260.381 2.348 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(F)F ZINC001039392116 811020714 /nfs/dbraw/zinc/02/07/14/811020714.db2.gz DWDWVSJKUUPUMI-RDBSUJKOSA-N 0 3 296.361 2.120 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC1 ZINC001039378096 811021149 /nfs/dbraw/zinc/02/11/49/811021149.db2.gz GPSKNASCTFRZLO-KGLIPLIRSA-N 0 3 262.397 2.428 20 30 CEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccncc1C ZINC001039375329 811021273 /nfs/dbraw/zinc/02/12/73/811021273.db2.gz YERUWYUTMRSFKQ-SJORKVTESA-N 0 3 299.418 2.184 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H](CC)SC)C2)C1 ZINC001040165404 811094228 /nfs/dbraw/zinc/09/42/28/811094228.db2.gz LNRRSXKKZMYXMM-ZBFHGGJFSA-N 0 3 294.464 2.076 20 30 CEEDHN C#CCNCCN(CC)C(=O)C1C2CC3CC(C2)CC1C3 ZINC001273420855 811103684 /nfs/dbraw/zinc/10/36/84/811103684.db2.gz PPSIBGMEUMHAPK-UHFFFAOYSA-N 0 3 288.435 2.130 20 30 CEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3nocc3C)C2)C1 ZINC001040484207 811112897 /nfs/dbraw/zinc/11/28/97/811112897.db2.gz MECLDCSLKSTWND-MRXNPFEDSA-N 0 3 289.379 2.097 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(C)sn2)C1 ZINC001086351501 811113037 /nfs/dbraw/zinc/11/30/37/811113037.db2.gz MQYKYWRPVZUYKT-XYPYZODXSA-N 0 3 299.827 2.302 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)C(F)=C(C)C)C2)CC1 ZINC001040662834 811121407 /nfs/dbraw/zinc/12/14/07/811121407.db2.gz DIWDYOPONSEJLL-UHFFFAOYSA-N 0 3 278.371 2.198 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)c3[nH]c(C)cc3C)C2)CC1 ZINC001040746653 811123317 /nfs/dbraw/zinc/12/33/17/811123317.db2.gz GANNQVFDYAJBEI-UHFFFAOYSA-N 0 3 299.418 2.193 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)c3cc(C)co3)C2)CC1 ZINC001040815542 811126208 /nfs/dbraw/zinc/12/62/08/811126208.db2.gz PMSAGCRBNTZABO-UHFFFAOYSA-N 0 3 286.375 2.149 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@H]3CC=CCC3)C2)C1 ZINC001041065013 811140521 /nfs/dbraw/zinc/14/05/21/811140521.db2.gz XWPGPVHWVBTKDJ-WMZOPIPTSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3cc[nH]c3CCC)C2)C1 ZINC001041581052 811178119 /nfs/dbraw/zinc/17/81/19/811178119.db2.gz GUSULYCUEFKTOB-SFHVURJKSA-N 0 3 299.418 2.138 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C3(C(C)C)CC3)C2)C1 ZINC001041656770 811184475 /nfs/dbraw/zinc/18/44/75/811184475.db2.gz MSGNZUHIPWNKTI-QGZVFWFLSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)C(C)(C)C(C)(F)F)C2)C1 ZINC001041809016 811195560 /nfs/dbraw/zinc/19/55/60/811195560.db2.gz DPKHGQNFHKPRCT-MRXNPFEDSA-N 0 3 298.377 2.225 20 30 CEEDHN CC(=O)N1CC[C@H]2CCN(Cc3cccc(C#N)c3)[C@H]2C1 ZINC001041859772 811198099 /nfs/dbraw/zinc/19/80/99/811198099.db2.gz RICMMNZBLFZPQY-IRXDYDNUSA-N 0 3 283.375 2.001 20 30 CEEDHN CCC(=O)N1CC[C@H]2CCN(Cc3cccc(C#N)c3)[C@H]2C1 ZINC001041865333 811199014 /nfs/dbraw/zinc/19/90/14/811199014.db2.gz IDMNZRBGGSPFAD-SJORKVTESA-N 0 3 297.402 2.391 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)/C=C\c3ccco3)C[C@H]21 ZINC001041910024 811212874 /nfs/dbraw/zinc/21/28/74/811212874.db2.gz LTUGPIQVMTWOJJ-IKJDWHLJSA-N 0 3 298.386 2.239 20 30 CEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3cc(C)no3)C[C@@H]21 ZINC001041930702 811216431 /nfs/dbraw/zinc/21/64/31/811216431.db2.gz CREQBGJVLFQDPX-KBPBESRZSA-N 0 3 289.379 2.096 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)C(CC)CC)C[C@H]21 ZINC001041950244 811224254 /nfs/dbraw/zinc/22/42/54/811224254.db2.gz OZJMKQXMLPRLGX-JKSUJKDBSA-N 0 3 276.424 2.369 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3CC=CC3)C[C@H]21 ZINC001041988442 811228616 /nfs/dbraw/zinc/22/86/16/811228616.db2.gz LZACPYLRVSERJN-UKRRQHHQSA-N 0 3 260.381 2.061 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)C3CC(C)(C)C3)C[C@@H]21 ZINC001042049629 811239648 /nfs/dbraw/zinc/23/96/48/811239648.db2.gz KDHNCIXEEPELBM-HOCLYGCPSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cccc(CC)n3)C[C@H]21 ZINC001042096963 811244168 /nfs/dbraw/zinc/24/41/68/811244168.db2.gz DMPGRKSMLOJDRY-RHSMWYFYSA-N 0 3 299.418 2.366 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(C4CC4)CC3)C[C@@H]21 ZINC001042106446 811244315 /nfs/dbraw/zinc/24/43/15/811244315.db2.gz CWMWMCOXQYJFDR-HIFRSBDPSA-N 0 3 274.408 2.285 20 30 CEEDHN C#CCN1CC[C@@H]2CCN(C(=O)Cc3ccc(C)cc3)C[C@@H]21 ZINC001042141761 811247190 /nfs/dbraw/zinc/24/71/90/811247190.db2.gz HLJVKGTUXJILFN-MSOLQXFVSA-N 0 3 296.414 2.094 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3c(C)cncc3C)C[C@@H]21 ZINC001042147822 811247667 /nfs/dbraw/zinc/24/76/67/811247667.db2.gz DTWSDBZRLBQTHS-HOTGVXAUSA-N 0 3 299.418 2.421 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C)[nH]c3C)C[C@@H]21 ZINC001042247467 811263708 /nfs/dbraw/zinc/26/37/08/811263708.db2.gz OXMHYOKQLJSFCD-ZBFHGGJFSA-N 0 3 287.407 2.354 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cnn(CCC)c1C ZINC001169143747 811410345 /nfs/dbraw/zinc/41/03/45/811410345.db2.gz CCWYTIISLDEWJO-UHFFFAOYSA-N 0 3 298.818 2.064 20 30 CEEDHN C[C@@H](N)c1ccn(-c2nc(Cl)nc3c(C#N)cccc32)n1 ZINC001169227375 811440134 /nfs/dbraw/zinc/44/01/34/811440134.db2.gz CIOKWNSDBBSZHN-MRVPVSSYSA-N 0 3 298.737 2.360 20 30 CEEDHN Cc1cc(Cl)c(C#N)c(-n2ccc([C@@H](C)N)n2)n1 ZINC001169227942 811441064 /nfs/dbraw/zinc/44/10/64/811441064.db2.gz IPZJGFBJFNQNLZ-MRVPVSSYSA-N 0 3 261.716 2.121 20 30 CEEDHN C[C@@H](N)c1ccn(-c2ccc3c(c2)CC/C3=N/O)n1 ZINC001169234351 811449391 /nfs/dbraw/zinc/44/93/91/811449391.db2.gz HOQMXWTWYVDGJJ-OZEFSGHTSA-N 0 3 256.309 2.017 20 30 CEEDHN C[C@@H](N)c1ccn(-c2cnc(C#N)c(C(F)(F)F)c2)n1 ZINC001169234225 811449990 /nfs/dbraw/zinc/44/99/90/811449990.db2.gz VPCJPNBAIWQTPG-SSDOTTSWSA-N 0 3 281.241 2.177 20 30 CEEDHN CCOC(=O)[C@H]1CN([C@@H](C)CCCC#N)CCS1 ZINC001172507989 815457603 /nfs/dbraw/zinc/45/76/03/815457603.db2.gz ANZBXQOCEDJUNV-NWDGAFQWSA-N 0 3 270.398 2.049 20 30 CEEDHN N#CCc1ccc(N2CCCc3ccc(CN)nc32)nc1 ZINC001169583029 811588447 /nfs/dbraw/zinc/58/84/47/811588447.db2.gz BMEVPNCKMPHOJW-UHFFFAOYSA-N 0 3 279.347 2.086 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CC[C@@H](CC)O2)CC1 ZINC001045454064 811612730 /nfs/dbraw/zinc/61/27/30/811612730.db2.gz ZMKRDARMXPVAJW-ZIAGYGMSSA-N 0 3 280.412 2.101 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2onc(C)c2C)CC1 ZINC001045472436 811614669 /nfs/dbraw/zinc/61/46/69/811614669.db2.gz LGPGMFDGCHETPT-UHFFFAOYSA-N 0 3 277.368 2.062 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2CCC2(C)C)CC1 ZINC001045529391 811622307 /nfs/dbraw/zinc/62/23/07/811622307.db2.gz MIEDISIZGNLMHG-CQSZACIVSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CC1(N[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169735277 811652286 /nfs/dbraw/zinc/65/22/86/811652286.db2.gz HOSPFVHQECFKLI-OAHLLOKOSA-N 0 3 268.360 2.047 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1csnc1OC ZINC001169845493 811685998 /nfs/dbraw/zinc/68/59/98/811685998.db2.gz VLPMOMNNBBASCL-UHFFFAOYSA-N 0 3 269.414 2.091 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001046229399 811716469 /nfs/dbraw/zinc/71/64/69/811716469.db2.gz PZGYUBXLBKHSDE-WBTNSWJXSA-N 0 3 274.408 2.027 20 30 CEEDHN CC(C)=CCN1CC[C@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046239161 811717474 /nfs/dbraw/zinc/71/74/74/811717474.db2.gz KDZXFJZQYHKXSI-INIZCTEOSA-N 0 3 286.379 2.047 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001046604698 811783536 /nfs/dbraw/zinc/78/35/36/811783536.db2.gz MQJMXLNKJNQKSZ-PBHICJAKSA-N 0 3 276.424 2.417 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2nccc3[nH]ccc32)C1 ZINC001046628531 811786635 /nfs/dbraw/zinc/78/66/35/811786635.db2.gz XVNPTNZZQSUCCE-KRWDZBQOSA-N 0 3 298.390 2.333 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001046632739 811789196 /nfs/dbraw/zinc/78/91/96/811789196.db2.gz IOODMUILYMGFJQ-NFAWXSAZSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001046642451 811791239 /nfs/dbraw/zinc/79/12/39/811791239.db2.gz IXUAVXHLLMQYNP-XJKCOSOUSA-N 0 3 274.364 2.150 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2CC23CCC3)C1 ZINC001046662438 811794964 /nfs/dbraw/zinc/79/49/64/811794964.db2.gz QRXFCEMRDSNRBA-DZGCQCFKSA-N 0 3 262.397 2.333 20 30 CEEDHN 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ZINC001050486778 812830961 /nfs/dbraw/zinc/83/09/61/812830961.db2.gz FTSSVLYFNCLKPG-UHFFFAOYSA-N 0 3 290.382 2.342 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)C(C)=C3CCC3)C2)CC1 ZINC001050515728 812834018 /nfs/dbraw/zinc/83/40/18/812834018.db2.gz KYVKJBLKGJERKM-UHFFFAOYSA-N 0 3 272.392 2.044 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)CC3(C)CC3)C2)CC1 ZINC001050593861 812841868 /nfs/dbraw/zinc/84/18/68/812841868.db2.gz CRRZXTFAPVKXSG-UHFFFAOYSA-N 0 3 274.408 2.124 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3C[C@@H]3C(C)C)C2)CC1 ZINC001050715400 812853505 /nfs/dbraw/zinc/85/35/05/812853505.db2.gz PCGFFEGTDLOSQV-HZPDHXFCSA-N 0 3 288.435 2.226 20 30 CEEDHN C=C/C(C)=C\CC(=O)NCCNCc1cccc(C#N)c1 ZINC001132511375 812876483 /nfs/dbraw/zinc/87/64/83/812876483.db2.gz WWWKFYFVSCHBKR-AUWJEWJLSA-N 0 3 283.375 2.286 20 30 CEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1cnccc1C ZINC001132569217 812894467 /nfs/dbraw/zinc/89/44/67/812894467.db2.gz MVDLTVRJEJEVEC-GXTWGEPZSA-N 0 3 275.396 2.054 20 30 CEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1ccnc(Cl)c1 ZINC001132569521 812894838 /nfs/dbraw/zinc/89/48/38/812894838.db2.gz SYEZOJUBJHXTPG-VXGBXAGGSA-N 0 3 295.814 2.399 20 30 CEEDHN C=C[C@@H](CC)CC(=O)NCCNCc1cnccc1C ZINC001132667910 812921475 /nfs/dbraw/zinc/92/14/75/812921475.db2.gz WGZILGNOYFVGQH-AWEZNQCLSA-N 0 3 275.396 2.198 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H]2CC=CCC2)CC1 ZINC001052197368 812944683 /nfs/dbraw/zinc/94/46/83/812944683.db2.gz MSVJUUCXLHOYRR-HZPDHXFCSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccoc2Cl)CC1 ZINC001052341789 812977602 /nfs/dbraw/zinc/97/76/02/812977602.db2.gz KSNZHFIXAKTYEW-LLVKDONJSA-N 0 3 280.755 2.151 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H](C)C2CCC2)CC1 ZINC001052484715 812996648 /nfs/dbraw/zinc/99/66/48/812996648.db2.gz ROFJANJDODNDGD-DZGCQCFKSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)Cc2ccccc2CC)CC1 ZINC001052486917 812998697 /nfs/dbraw/zinc/99/86/97/812998697.db2.gz QOJTZZIMZIVWRP-GOSISDBHSA-N 0 3 298.430 2.395 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)C23CCC(CC2)C3)CC1 ZINC001052497502 812998793 /nfs/dbraw/zinc/99/87/93/812998793.db2.gz CKFFFSWBVTVERW-CKDBGZEDSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)Cc2ccccc2CC)CC1 ZINC001052486918 812999801 /nfs/dbraw/zinc/99/98/01/812999801.db2.gz QOJTZZIMZIVWRP-SFHVURJKSA-N 0 3 298.430 2.395 20 30 CEEDHN C=C[C@](C)(CC)C(=O)NCCNCc1cncc(C)c1 ZINC001133379202 813041527 /nfs/dbraw/zinc/04/15/27/813041527.db2.gz WFELRARFHLHFKV-MRXNPFEDSA-N 0 3 275.396 2.198 20 30 CEEDHN CNC(=O)C(C#N)C(=O)CCSc1ccc(C)c(C)c1 ZINC000133440996 813083643 /nfs/dbraw/zinc/08/36/43/813083643.db2.gz LSSUMQFKNMJNNM-ZDUSSCGKSA-N 0 3 290.388 2.241 20 30 CEEDHN C=C1CC(C)(C(=O)NCCNCc2ccc(Cl)nc2)C1 ZINC001133569962 813109482 /nfs/dbraw/zinc/10/94/82/813109482.db2.gz GVVQNIGFAGSVLW-UHFFFAOYSA-N 0 3 293.798 2.297 20 30 CEEDHN C=C1CC(C)(C(=O)NCCNCc2sc(C)nc2C)C1 ZINC001133570201 813109551 /nfs/dbraw/zinc/10/95/51/813109551.db2.gz NZSQOOQERIHODV-UHFFFAOYSA-N 0 3 293.436 2.322 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]cc1C1CC1)C2 ZINC001098128196 813306029 /nfs/dbraw/zinc/30/60/29/813306029.db2.gz ZDTWUDCGRKOVRQ-XYPHTWIQSA-N 0 3 297.402 2.251 20 30 CEEDHN C[C@H]1CC[C@@H](C(=O)NCCNCc2cccc(C#N)c2)C1 ZINC001134738812 813319184 /nfs/dbraw/zinc/31/91/84/813319184.db2.gz XQFUZZWGKJOTQJ-XJKSGUPXSA-N 0 3 285.391 2.200 20 30 CEEDHN C=C(C)CN1CC[C@@]2(CCCN2C[C@H]2CCC=CO2)C1=O ZINC001273442581 813340362 /nfs/dbraw/zinc/34/03/62/813340362.db2.gz BDMFCGAHFYDHOQ-WBVHZDCISA-N 0 3 290.407 2.322 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)Cc2cccs2)CC[C@H]1C ZINC001071312254 813359525 /nfs/dbraw/zinc/35/95/25/813359525.db2.gz IAWSPCZPEWQEHC-ZIAGYGMSSA-N 0 3 290.432 2.283 20 30 CEEDHN C=CCCN1C[C@H](NC(=O)c2c(C)noc2C)CC[C@@H]1C ZINC001071348293 813373043 /nfs/dbraw/zinc/37/30/43/813373043.db2.gz YPOCFHPBWMOYHI-SMDDNHRTSA-N 0 3 291.395 2.450 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(CC)n[nH]2)CC[C@@H]1C ZINC001071352278 813374462 /nfs/dbraw/zinc/37/44/62/813374462.db2.gz 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/nfs/dbraw/zinc/41/07/23/813410723.db2.gz KTXXQLGYGAEDHX-HIFRSBDPSA-N 0 3 276.380 2.367 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071501167 813423916 /nfs/dbraw/zinc/42/39/16/813423916.db2.gz KKOOPQVGLNONAP-BBRMVZONSA-N 0 3 274.408 2.479 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cnc(C)o2)CC[C@H]1C ZINC001071566499 813439264 /nfs/dbraw/zinc/43/92/64/813439264.db2.gz UATPZCPPRUYJFG-TZMCWYRMSA-N 0 3 291.395 2.071 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2(C3CC3)CC2)CC[C@H]1C ZINC001071597813 813444774 /nfs/dbraw/zinc/44/47/74/813444774.db2.gz OFNDYVLIFKWTSV-UKRRQHHQSA-N 0 3 274.408 2.169 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2c(C)n[nH]c2C)CC[C@@H]1C ZINC001071901892 813511026 /nfs/dbraw/zinc/51/10/26/813511026.db2.gz YPGNYRMZHLFMSX-FZMZJTMJSA-N 0 3 290.411 2.185 20 30 CEEDHN CC#CCNCCNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001135741120 813515618 /nfs/dbraw/zinc/51/56/18/813515618.db2.gz CLTFCXLQXGYJLJ-SHTZXODSSA-N 0 3 264.413 2.178 20 30 CEEDHN CCCC(=O)N1CC2(C1)CCN(Cc1cccc(C#N)c1)C2 ZINC001072398019 813583353 /nfs/dbraw/zinc/58/33/53/813583353.db2.gz TXVSOWMROQHPBY-UHFFFAOYSA-N 0 3 297.402 2.393 20 30 CEEDHN CC(C)[C@@H]1C[C@H]1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001136060507 813597159 /nfs/dbraw/zinc/59/71/59/813597159.db2.gz DSOVMMYNMSSWDW-JKSUJKDBSA-N 0 3 285.391 2.056 20 30 CEEDHN CC(C)C(=O)N1CC2(C1)CCN(Cc1cccc(C#N)c1)C2 ZINC001072486216 813599474 /nfs/dbraw/zinc/59/94/74/813599474.db2.gz ZVBGZZLRVHGGGG-UHFFFAOYSA-N 0 3 297.402 2.249 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C[C@H]3CCC[C@H]3C)C2)C1 ZINC001072769147 813653192 /nfs/dbraw/zinc/65/31/92/813653192.db2.gz WAKQHYFABJUWLV-HZPDHXFCSA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)Cc3ccco3)C2)C1 ZINC001073053486 813719729 /nfs/dbraw/zinc/71/97/29/813719729.db2.gz KTXQNQWTIPYYCY-CQSZACIVSA-N 0 3 288.391 2.179 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3ccccc3OC)C2)C1 ZINC001073141778 813730522 /nfs/dbraw/zinc/73/05/22/813730522.db2.gz WKDUYKJDWPRVMT-UHFFFAOYSA-N 0 3 286.375 2.029 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3nc(C)c(C)s3)C2)C1 ZINC001073440275 813751200 /nfs/dbraw/zinc/75/12/00/813751200.db2.gz XNSQRRFLRUTORC-UHFFFAOYSA-N 0 3 291.420 2.094 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C(C)(CC)CC)C2)C1 ZINC001073443648 813751704 /nfs/dbraw/zinc/75/17/04/813751704.db2.gz YKUXYAKNLLMBAC-UHFFFAOYSA-N 0 3 276.424 2.370 20 30 CEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1CCC1)C[C@@H](C)O2 ZINC001098551307 813929685 /nfs/dbraw/zinc/92/96/85/813929685.db2.gz DHSBIKNTIJQMDF-CQSZACIVSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)OC ZINC001098959299 813967912 /nfs/dbraw/zinc/96/79/12/813967912.db2.gz DTNWXLBJLGXLBJ-KBPBESRZSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2csc(C)n2)C1 ZINC001098993130 813971205 /nfs/dbraw/zinc/97/12/05/813971205.db2.gz FZJSYMNWDPAQCD-WFASDCNBSA-N 0 3 291.420 2.222 20 30 CEEDHN COC(C)(C)[C@H]1CCCN1Cc1ccc(C#N)cn1 ZINC001144163047 813971819 /nfs/dbraw/zinc/97/18/19/813971819.db2.gz JRCBRVACCHCVAA-CQSZACIVSA-N 0 3 259.353 2.343 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2nocc2C)C1 ZINC001099109262 813988203 /nfs/dbraw/zinc/98/82/03/813988203.db2.gz NUUZUUFDRBYOTG-BBRMVZONSA-N 0 3 289.379 2.143 20 30 CEEDHN C=CCCC(=O)N[C@H]1CCN(CC2=CCCCC2)C[C@@H]1O ZINC001099726026 814030667 /nfs/dbraw/zinc/03/06/67/814030667.db2.gz CTFAUIAMDZZQNV-HOTGVXAUSA-N 0 3 292.423 2.004 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1ccn(C)n1 ZINC001171182637 814069850 /nfs/dbraw/zinc/06/98/50/814069850.db2.gz XOBWVAATTYFJMN-LBPRGKRZSA-N 0 3 254.337 2.013 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)NC(=N)c1ccc(F)cn1 ZINC001171184189 814071204 /nfs/dbraw/zinc/07/12/04/814071204.db2.gz LIHVVGWOVUOKPY-NSHDSACASA-N 0 3 282.322 2.429 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)NC[C@@H](F)C(C)(C)O ZINC001171201747 814128141 /nfs/dbraw/zinc/12/81/41/814128141.db2.gz QPARLZQEOLCPRE-BXUZGUMPSA-N 0 3 264.344 2.188 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@@H](C=C)CC)C[C@]2(C)C1 ZINC001101337597 814249555 /nfs/dbraw/zinc/24/95/55/814249555.db2.gz FPDRDKOJJLAHIK-UXLLHSPISA-N 0 3 274.408 2.002 20 30 CEEDHN C=CC(C)(C)C(=O)NCC[C@@H]1CN(CCF)C[C@H]1C ZINC001103311953 814488615 /nfs/dbraw/zinc/48/86/15/814488615.db2.gz SZNFVAGEPLWALT-CHWSQXEVSA-N 0 3 270.392 2.242 20 30 CEEDHN CC#CCNCCNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001148026861 814519515 /nfs/dbraw/zinc/51/95/15/814519515.db2.gz JIDGYXOPBNMYMI-UHFFFAOYSA-N 0 3 284.359 2.392 20 30 CEEDHN C#CC1CCN([C@@H]2COc3cccc(OC)c3C2)CC1 ZINC001173167727 815619298 /nfs/dbraw/zinc/61/92/98/815619298.db2.gz HVJRVTMRYZCNPA-AWEZNQCLSA-N 0 3 271.360 2.344 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)/C(C)=C\CC)C1 ZINC001111632408 814591724 /nfs/dbraw/zinc/59/17/24/814591724.db2.gz NWGDLPVLHMOBBF-GZTMPHGLSA-N 0 3 262.397 2.499 20 30 CEEDHN CC#CCNCCNC(=O)c1ccc2ccccc2c1 ZINC001148886208 814623321 /nfs/dbraw/zinc/62/33/21/814623321.db2.gz XCJHOGBGUVSJQN-UHFFFAOYSA-N 0 3 266.344 2.183 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CCCOC)C1 ZINC001111928966 814633002 /nfs/dbraw/zinc/63/30/02/814633002.db2.gz PWEUWJZBWHCZBW-ZOBUZTSGSA-N 0 3 294.439 2.206 20 30 CEEDHN Cc1cccc(C(=O)NC2CCN(CCCC#N)CC2)c1 ZINC000586046098 814657739 /nfs/dbraw/zinc/65/77/39/814657739.db2.gz IWPZDBYFNCKRAS-UHFFFAOYSA-N 0 3 285.391 2.493 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@H]3C=CCCC3)C[C@]2(C)C1 ZINC001091779364 814672022 /nfs/dbraw/zinc/67/20/22/814672022.db2.gz SWCIWJMNOIGWAA-JZXOWHBKSA-N 0 3 286.419 2.146 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C(C)(C)C(=C)C)C[C@]2(C)C1 ZINC001091910572 814675243 /nfs/dbraw/zinc/67/52/43/814675243.db2.gz BVUMJWIODJTKJP-PBHICJAKSA-N 0 3 274.408 2.002 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H]3CCCC3(C)C)C[C@]2(C)C1 ZINC001091930535 814678948 /nfs/dbraw/zinc/67/89/48/814678948.db2.gz LEBQFNDLBCWURJ-RKVPGOIHSA-N 0 3 288.435 2.226 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C(C)(C)CC)C[C@]2(C)C1 ZINC001091968062 814681195 /nfs/dbraw/zinc/68/11/95/814681195.db2.gz GDYPSXZPWJHBJI-PBHICJAKSA-N 0 3 276.424 2.226 20 30 CEEDHN N#CC[C@@H]1CCCN(C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000712688507 814761903 /nfs/dbraw/zinc/76/19/03/814761903.db2.gz KEPQAGZQZJWJOQ-LSDHHAIUSA-N 0 3 278.396 2.198 20 30 CEEDHN Cc1cc(N2CCN(C3CCC(CC#N)CC3)CC2)ncn1 ZINC001173339434 815681954 /nfs/dbraw/zinc/68/19/54/815681954.db2.gz HNEAGBBKVQZXOH-UHFFFAOYSA-N 0 3 299.422 2.380 20 30 CEEDHN C=CCOC1CCC([NH2+][C@@H](CC(C)C)C(=O)N[O-])CC1 ZINC001173319793 815693422 /nfs/dbraw/zinc/69/34/22/815693422.db2.gz WEFBSUXTLVSNRZ-RUXDESIVSA-N 0 3 284.400 2.010 20 30 CEEDHN CN(C)Cc1ccccc1Nc1c(C#N)ncn1C ZINC001173928966 815861047 /nfs/dbraw/zinc/86/10/47/815861047.db2.gz QOZCNEIXYZEFCZ-UHFFFAOYSA-N 0 3 255.325 2.097 20 30 CEEDHN C#Cc1cnc(Nc2ccccc2CN(C)C)c(C#C)n1 ZINC001173929776 815862571 /nfs/dbraw/zinc/86/25/71/815862571.db2.gz HWNYKGZCZCGDID-UHFFFAOYSA-N 0 3 276.343 2.244 20 30 CEEDHN N#C[C@H]1CCCN(Cc2ccc(OCCO)cc2)CC1 ZINC001138798126 815903450 /nfs/dbraw/zinc/90/34/50/815903450.db2.gz SBLYRDHOFUHAJD-AWEZNQCLSA-N 0 3 274.364 2.183 20 30 CEEDHN O=C1C=C2CN(Cc3cnc4cccnc4c3)CCC2S1 ZINC001139737936 816101126 /nfs/dbraw/zinc/10/11/26/816101126.db2.gz CZNHIMDGBSCELC-OAHLLOKOSA-N 0 3 297.383 2.404 20 30 CEEDHN C=CCn1cc(CN2CC[C@H](c3cccnc3)C2)cn1 ZINC001139770700 816111986 /nfs/dbraw/zinc/11/19/86/816111986.db2.gz XOTGFEUXVMCEMM-INIZCTEOSA-N 0 3 268.364 2.454 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001139869744 816130710 /nfs/dbraw/zinc/13/07/10/816130710.db2.gz RLISAESISOLDQQ-LBPRGKRZSA-N 0 3 292.427 2.096 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H](C)CC(C)C)C1 ZINC001150516563 816251429 /nfs/dbraw/zinc/25/14/29/816251429.db2.gz IIPYSBXAPLRVML-JKSUJKDBSA-N 0 3 296.455 2.452 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@H](C)CC(C)C)C1 ZINC001150516562 816251913 /nfs/dbraw/zinc/25/19/13/816251913.db2.gz IIPYSBXAPLRVML-HZPDHXFCSA-N 0 3 296.455 2.452 20 30 CEEDHN Cc1c(O)ccc(CN2CCC3SC(=O)C=C3C2)c1O ZINC001140744090 816339770 /nfs/dbraw/zinc/33/97/70/816339770.db2.gz LPSLOTMTCOPXHR-ZDUSSCGKSA-N 0 3 291.372 2.180 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCCC(F)(F)[C@H]2O)cc1 ZINC001178939917 816817532 /nfs/dbraw/zinc/81/75/32/816817532.db2.gz YJPNYBLEGGQPQW-OLZOCXBDSA-N 0 3 266.291 2.197 20 30 CEEDHN N#C[C@H]1CCCN(Cc2cccc3nonc32)CC1 ZINC001203137921 816832581 /nfs/dbraw/zinc/83/25/81/816832581.db2.gz POIZHMBUAALWRC-NSHDSACASA-N 0 3 256.309 2.348 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NCCF)[C@@H]1C ZINC001179384279 816859718 /nfs/dbraw/zinc/85/97/18/816859718.db2.gz ILIFDYYIHJNKCG-AGIUHOORSA-N 0 3 256.365 2.137 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@]2(CCOC2)C1 ZINC000121200315 365535486 /nfs/dbraw/zinc/53/54/86/365535486.db2.gz DJLJZRPRJSQSCG-INIZCTEOSA-N 0 3 272.348 2.179 20 30 CEEDHN COC(=O)[C@]1(C)CN(Cc2cc(C#N)cs2)C[C@H]1C ZINC000337545065 214147061 /nfs/dbraw/zinc/14/70/61/214147061.db2.gz NLIFWHWCAWIIIS-QMTHXVAHSA-N 0 3 278.377 2.251 20 30 CEEDHN N#Cc1ccccc1OCCN1CCCC[C@@H]1CCO ZINC000034674206 361793178 /nfs/dbraw/zinc/79/31/78/361793178.db2.gz JBYZBAVJCZSDAT-OAHLLOKOSA-N 0 3 274.364 2.174 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000125195660 187174187 /nfs/dbraw/zinc/17/41/87/187174187.db2.gz GYHVDRCFWBORFX-UKRRQHHQSA-N 0 3 285.391 2.421 20 30 CEEDHN C=CCOCCNCc1ccnn1CCc1ccccc1 ZINC000621343903 349569537 /nfs/dbraw/zinc/56/95/37/349569537.db2.gz VFACXFZCJXHVGN-UHFFFAOYSA-N 0 3 285.391 2.418 20 30 CEEDHN Cn1ncc2c1CCC[C@@H]2NCc1ccc(C#N)cc1 ZINC000037087275 361895869 /nfs/dbraw/zinc/89/58/69/361895869.db2.gz DJMAFGODRRMUQA-HNNXBMFYSA-N 0 3 266.348 2.459 20 30 CEEDHN COc1cc(CN(C)C)ccc1NC(=O)CCCC#N ZINC000601622848 346863784 /nfs/dbraw/zinc/86/37/84/346863784.db2.gz WLRNDIVGSZDADF-UHFFFAOYSA-N 0 3 275.352 2.389 20 30 CEEDHN CC(C#N)C(=O)N1CCC(Cc2nccs2)CC1 ZINC000601742759 346889771 /nfs/dbraw/zinc/88/97/71/346889771.db2.gz IMZFLLSHAQAXIN-JTQLQIEISA-N 0 3 263.366 2.084 20 30 CEEDHN C=CC[C@H]1CCCN(Cc2cnn(CCOC)c2)C1 ZINC000668494048 539184055 /nfs/dbraw/zinc/18/40/55/539184055.db2.gz UTRAHZUMZSMDEG-AWEZNQCLSA-N 0 3 263.385 2.318 20 30 CEEDHN C#CCCCN[C@@H](CO)c1cccc(Br)c1 ZINC000273144668 192056173 /nfs/dbraw/zinc/05/61/73/192056173.db2.gz VJSIJXNDDDZFCL-ZDUSSCGKSA-N 0 3 282.181 2.486 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@@]2(O)C[C@H]2C1 ZINC000668599888 539208969 /nfs/dbraw/zinc/20/89/69/539208969.db2.gz ZVNUYPSRQIGTQB-GOEBONIOSA-N 0 3 259.349 2.208 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1C[C@H]1C)C(C)C ZINC000076073534 539248223 /nfs/dbraw/zinc/24/82/23/539248223.db2.gz SYPHLZYVAJQXRV-KFWWJZLASA-N 0 3 279.428 2.393 20 30 CEEDHN CC(C#N)C(=O)NCC1([C@H]2CCCCO2)CCC1 ZINC000601857729 346918202 /nfs/dbraw/zinc/91/82/02/346918202.db2.gz SFAUAFTVMUIVRB-NWDGAFQWSA-N 0 3 250.342 2.002 20 30 CEEDHN CC(C#N)C(=O)NCC1([C@H]2CCCCO2)CCC1 ZINC000601857736 346918478 /nfs/dbraw/zinc/91/84/78/346918478.db2.gz SFAUAFTVMUIVRB-VXGBXAGGSA-N 0 3 250.342 2.002 20 30 CEEDHN C=CCCCN(C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000126067003 365696823 /nfs/dbraw/zinc/69/68/23/365696823.db2.gz UKQRHZILXOQQIN-LLVKDONJSA-N 0 3 278.318 2.438 20 30 CEEDHN C[C@@H]1CSC[C@@H]1NCc1cnc2ccc(C#N)cn12 ZINC000336619109 365727620 /nfs/dbraw/zinc/72/76/20/365727620.db2.gz OOUAXGBAARSJCK-MFKMUULPSA-N 0 3 272.377 2.047 20 30 CEEDHN C[C@@H]1c2ccsc2CCN1CCC(=O)N(C)CCC#N ZINC000042764624 362118810 /nfs/dbraw/zinc/11/88/10/362118810.db2.gz QMGQFYOLPQFLGW-GFCCVEGCSA-N 0 3 291.420 2.429 20 30 CEEDHN N#Cc1cccc(CN2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000012333248 343366704 /nfs/dbraw/zinc/36/67/04/343366704.db2.gz ZDZBNRKURFACPQ-UHFFFAOYSA-N 0 3 297.402 2.393 20 30 CEEDHN C[C@@H]1CCCCN1CC#CCN1C(=O)c2ccccc2C1=O ZINC000033868588 343418199 /nfs/dbraw/zinc/41/81/99/343418199.db2.gz IIKRGIXCCQZOGS-CQSZACIVSA-N 0 3 296.370 2.160 20 30 CEEDHN C[C@H]1CCCCN1CC#CCN1C(=O)c2ccccc2C1=O ZINC000033868589 343418576 /nfs/dbraw/zinc/41/85/76/343418576.db2.gz IIKRGIXCCQZOGS-AWEZNQCLSA-N 0 3 296.370 2.160 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2ccc3c(c2)OCO3)nc(C)n1 ZINC000041574226 343441822 /nfs/dbraw/zinc/44/18/22/343441822.db2.gz SYUGAGPDJAGDCU-LBPRGKRZSA-N 0 3 295.298 2.312 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)CSCC#N)C(C)C ZINC000042393422 343450603 /nfs/dbraw/zinc/45/06/03/343450603.db2.gz YRYOAVCADTXFST-CQSZACIVSA-N 0 3 295.452 2.058 20 30 CEEDHN CN1CCC[C@@H](CNc2nc3c(cc2C#N)CCC3)C1 ZINC000044537863 343473883 /nfs/dbraw/zinc/47/38/83/343473883.db2.gz YHNBQMQDIVHWKI-LBPRGKRZSA-N 0 3 270.380 2.196 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)Nc2ccc(C#N)cc2)C1 ZINC000046381440 343498722 /nfs/dbraw/zinc/49/87/22/343498722.db2.gz NXUJWFCQEGKTMI-ZDUSSCGKSA-N 0 3 286.379 2.412 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)Nc2ccc(C#N)cc2)C1 ZINC000046381437 343499132 /nfs/dbraw/zinc/49/91/32/343499132.db2.gz NXUJWFCQEGKTMI-CYBMUJFWSA-N 0 3 286.379 2.412 20 30 CEEDHN CN(CCCC(C)(C)C#N)[C@@H]1CCCCN(C)C1=O ZINC000601970362 346946323 /nfs/dbraw/zinc/94/63/23/346946323.db2.gz OLAQPBXHGDZMQX-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN CCc1nc(C)c(CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)o1 ZINC000330186495 529721469 /nfs/dbraw/zinc/72/14/69/529721469.db2.gz JVBRYLVWTGOKOX-CMPLNLGQSA-N 0 3 294.399 2.032 20 30 CEEDHN CS[C@@H](C)CNCc1cnc2ccc(C#N)cn12 ZINC000128137929 365777558 /nfs/dbraw/zinc/77/75/58/365777558.db2.gz AXUWLDORXDPEPV-JTQLQIEISA-N 0 3 260.366 2.047 20 30 CEEDHN N#Cc1ccc(CN2CCC(C(=O)NC3CC3)CC2)cc1 ZINC000055915764 343610392 /nfs/dbraw/zinc/61/03/92/343610392.db2.gz KYKXXBZPIRBJPL-UHFFFAOYSA-N 0 3 283.375 2.049 20 30 CEEDHN C[C@H](N[C@H]1CCCS(=O)(=O)CC1)c1ccc(C#N)cc1 ZINC000601995545 346952596 /nfs/dbraw/zinc/95/25/96/346952596.db2.gz DPKIHQRVZCOETK-WFASDCNBSA-N 0 3 292.404 2.176 20 30 CEEDHN COCCOCCCCNCc1cccc(F)c1C#N ZINC000602003258 346955289 /nfs/dbraw/zinc/95/52/89/346955289.db2.gz SMYALMXPBYKIMF-UHFFFAOYSA-N 0 3 280.343 2.230 20 30 CEEDHN C[C@@H]1C[C@@H](NCc2cccc(F)c2C#N)CN1C1CC1 ZINC000602014236 346958977 /nfs/dbraw/zinc/95/89/77/346958977.db2.gz TWLXLPPMQXBEAK-DGCLKSJQSA-N 0 3 273.355 2.412 20 30 CEEDHN CCCN1CC[C@H](NCc2cccc(F)c2C#N)C1 ZINC000602018843 346961408 /nfs/dbraw/zinc/96/14/08/346961408.db2.gz AISNZJRFYHPGRL-ZDUSSCGKSA-N 0 3 261.344 2.271 20 30 CEEDHN COC[C@H](C)N1CCCN(c2ccc(C#N)cc2)CC1 ZINC000075674115 343861585 /nfs/dbraw/zinc/86/15/85/343861585.db2.gz NSZCAKLMRPPPOY-AWEZNQCLSA-N 0 3 273.380 2.105 20 30 CEEDHN CCN1CCC(N(C)C(=O)c2cc(C#N)cs2)CC1 ZINC000084180601 344082034 /nfs/dbraw/zinc/08/20/34/344082034.db2.gz LEVMUGDCQBPMPW-UHFFFAOYSA-N 0 3 277.393 2.176 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(Cc2noc(CC)n2)CC1 ZINC000091622952 344168429 /nfs/dbraw/zinc/16/84/29/344168429.db2.gz VBFCYPYQXNBKLZ-CQSZACIVSA-N 0 3 292.427 2.494 20 30 CEEDHN CC(C)(CCC#N)CN1CCCN(c2ncccn2)CC1 ZINC000093056780 344213078 /nfs/dbraw/zinc/21/30/78/344213078.db2.gz NMHNPNUTRLIXKS-UHFFFAOYSA-N 0 3 287.411 2.319 20 30 CEEDHN CN1CCCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000092885794 344205731 /nfs/dbraw/zinc/20/57/31/344205731.db2.gz PHEILLLDAHTLMQ-UHFFFAOYSA-N 0 3 266.348 2.248 20 30 CEEDHN CC(C)(C#N)CCN1CCN(c2ccncc2)CC1 ZINC000119728332 344296264 /nfs/dbraw/zinc/29/62/64/344296264.db2.gz LNHWGOZJPDHWHH-UHFFFAOYSA-N 0 3 258.369 2.143 20 30 CEEDHN C=CCOc1ccc(C(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000108342681 344264838 /nfs/dbraw/zinc/26/48/38/344264838.db2.gz LIZACBGIBWDNKU-AWEZNQCLSA-N 0 3 288.391 2.323 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000134553739 344375383 /nfs/dbraw/zinc/37/53/83/344375383.db2.gz CFKBYGAJIMWUEA-KRWDZBQOSA-N 0 3 297.402 2.439 20 30 CEEDHN CN(C)[C@H](CNCc1cccc(C#N)n1)c1ccsc1 ZINC000602512700 347062416 /nfs/dbraw/zinc/06/24/16/347062416.db2.gz SCCGHQDOGQSTKL-OAHLLOKOSA-N 0 3 286.404 2.407 20 30 CEEDHN CC(C#N)C(=O)NCc1ccsc1Br ZINC000307403519 344722423 /nfs/dbraw/zinc/72/24/23/344722423.db2.gz DTHWFZWYXWHYDD-ZCFIWIBFSA-N 0 3 273.155 2.286 20 30 CEEDHN CCc1nc(C#N)cc(N[C@H](C)CN2CCCCC2)n1 ZINC000308183057 344726975 /nfs/dbraw/zinc/72/69/75/344726975.db2.gz WIQAPHKSBGEDRH-GFCCVEGCSA-N 0 3 273.384 2.197 20 30 CEEDHN C[C@H](NCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1 ZINC000313880097 344743789 /nfs/dbraw/zinc/74/37/89/344743789.db2.gz HHODTWWFHSZUMH-KFWWJZLASA-N 0 3 287.407 2.318 20 30 CEEDHN Cc1cccc(CNC[C@H](O)COc2ccccc2C#N)c1 ZINC000314657616 344746376 /nfs/dbraw/zinc/74/63/76/344746376.db2.gz HDSGBYMXJIJBFA-KRWDZBQOSA-N 0 3 296.370 2.396 20 30 CEEDHN Cc1cccc(CNC[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000314757048 344746572 /nfs/dbraw/zinc/74/65/72/344746572.db2.gz QJLZHQQYZYTIKP-KRWDZBQOSA-N 0 3 296.370 2.396 20 30 CEEDHN COc1ccccc1C[C@H](C)N(C)CCOCCC#N ZINC000292813746 344689336 /nfs/dbraw/zinc/68/93/36/344689336.db2.gz NJGGFVYGNLBVRL-AWEZNQCLSA-N 0 3 276.380 2.488 20 30 CEEDHN N#Cc1cccc(CNCCN2CCc3sccc3C2)n1 ZINC000602529916 347067780 /nfs/dbraw/zinc/06/77/80/347067780.db2.gz PVQSLTICLPTGSW-UHFFFAOYSA-N 0 3 298.415 2.163 20 30 CEEDHN N#CC1(C(=O)Nc2ccc3c(c2)OCCNC3)CCCC1 ZINC000602552139 347074148 /nfs/dbraw/zinc/07/41/48/347074148.db2.gz TVYZBIMHQNKUHZ-UHFFFAOYSA-N 0 3 285.347 2.191 20 30 CEEDHN CC[C@H](C#N)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390817303 344838210 /nfs/dbraw/zinc/83/82/10/344838210.db2.gz NYRHFQMFEMMDIJ-HZPDHXFCSA-N 0 3 285.391 2.317 20 30 CEEDHN C/C=C/C[C@@H]1CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000602574538 347084103 /nfs/dbraw/zinc/08/41/03/347084103.db2.gz AWWLJEVIHVMXOH-GWSUEFFPSA-N 0 3 263.385 2.212 20 30 CEEDHN C=CC[C@H](C)NC(=O)NC[C@H]1NCCc2ccccc21 ZINC000418641300 344894183 /nfs/dbraw/zinc/89/41/83/344894183.db2.gz RYKPLBKCWCQHMD-SWLSCSKDSA-N 0 3 273.380 2.137 20 30 CEEDHN C[C@@H]1c2ccsc2CCN1C(=O)[C@H](N)CCCC#N ZINC000424062620 344896781 /nfs/dbraw/zinc/89/67/81/344896781.db2.gz HFDPPKUGHXRSRP-ZYHUDNBSSA-N 0 3 277.393 2.215 20 30 CEEDHN C=CCC[C@H](O)CN(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000556056564 344935822 /nfs/dbraw/zinc/93/58/22/344935822.db2.gz RUPUZQIYSCMFIB-ZDUSSCGKSA-N 0 3 265.401 2.466 20 30 CEEDHN COC[C@](C)(O)CN[C@H](C)c1ccc(C#N)cc1Cl ZINC000584567316 344957596 /nfs/dbraw/zinc/95/75/96/344957596.db2.gz HIROHVHOMMCLLR-QMTHXVAHSA-N 0 3 282.771 2.260 20 30 CEEDHN CO[C@@H](CN1CCC(C#N)(c2ccccn2)CC1)C1CC1 ZINC000563023528 344940042 /nfs/dbraw/zinc/94/00/42/344940042.db2.gz GHRMHEHUQWOZRB-HNNXBMFYSA-N 0 3 285.391 2.364 20 30 CEEDHN C=CCn1cc(CN[C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)nn1 ZINC000584833428 344991253 /nfs/dbraw/zinc/99/12/53/344991253.db2.gz QVWIDVCHIZVNJL-FVQBIDKESA-N 0 3 290.411 2.149 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)CCCCCC#N)CN1C1CC1 ZINC000588639550 345048642 /nfs/dbraw/zinc/04/86/42/345048642.db2.gz LUPYUUZKCWAAPM-QWHCGFSZSA-N 0 3 263.385 2.202 20 30 CEEDHN CC(C)C[C@H](CO)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000589206470 345071506 /nfs/dbraw/zinc/07/15/06/345071506.db2.gz NCVBTCPZULBGDL-CQSZACIVSA-N 0 3 286.379 2.045 20 30 CEEDHN CCO[C@@H]1C[C@H](NCc2ccnc(C#N)c2)C12CCC2 ZINC000590756282 345175194 /nfs/dbraw/zinc/17/51/94/345175194.db2.gz DXRRCOUTMSAQQW-LSDHHAIUSA-N 0 3 271.364 2.391 20 30 CEEDHN CC(C)(C)c1ccc(C#N)c(N2CCNC(C)(C)C2)n1 ZINC000591444555 345256463 /nfs/dbraw/zinc/25/64/63/345256463.db2.gz SAYAXOHKQCMCNZ-UHFFFAOYSA-N 0 3 272.396 2.439 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)c1cc2ccccc2n1CC#N ZINC000590892976 345195626 /nfs/dbraw/zinc/19/56/26/345195626.db2.gz YRCKHFZKCXKORG-UHFFFAOYSA-N 0 3 298.390 2.235 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](C2CCC2)C1 ZINC000591063327 345216157 /nfs/dbraw/zinc/21/61/57/345216157.db2.gz PSPMEVKPJNGMOD-OCCSQVGLSA-N 0 3 275.396 2.059 20 30 CEEDHN C[C@H](Cc1cccc(O)c1)NC[C@H](C#N)CCC#N ZINC000591756659 345277405 /nfs/dbraw/zinc/27/74/05/345277405.db2.gz NHKUNAPTACQSKH-OCCSQVGLSA-N 0 3 257.337 2.356 20 30 CEEDHN N#Cc1cccc(CN2CCC(C3(O)CC3)CC2)c1 ZINC000593045771 345427817 /nfs/dbraw/zinc/42/78/17/345427817.db2.gz UAORZQGBIQCKKI-UHFFFAOYSA-N 0 3 256.349 2.295 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC(C2(O)CC2)CC1 ZINC000593048372 345428379 /nfs/dbraw/zinc/42/83/79/345428379.db2.gz CXSQOCGJCMEGRC-UHFFFAOYSA-N 0 3 286.375 2.174 20 30 CEEDHN CC[C@H](C#N)C(=O)N(CCN(C)C)C1CCCCC1 ZINC000593461966 345491222 /nfs/dbraw/zinc/49/12/22/345491222.db2.gz WQBAZEKZIBYHJA-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN CC[C@@H](C#N)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000593464515 345491907 /nfs/dbraw/zinc/49/19/07/345491907.db2.gz KVAIOHYMTHVNOF-ZDUSSCGKSA-N 0 3 289.379 2.252 20 30 CEEDHN CCC(C#N)C(=O)N=c1cc(C)n([C@H](C)C2CC2)[nH]1 ZINC000593596786 345510781 /nfs/dbraw/zinc/51/07/81/345510781.db2.gz TYLJIQCRMPJZDP-MNOVXSKESA-N 0 3 260.341 2.073 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000593554638 345506442 /nfs/dbraw/zinc/50/64/42/345506442.db2.gz CVYCCYICAHNWNC-SRVKXCTJSA-N 0 3 282.384 2.409 20 30 CEEDHN CC[C@@H](C#N)C(=O)NCCCN1CCc2ccccc2C1 ZINC000593403019 345477362 /nfs/dbraw/zinc/47/73/62/345477362.db2.gz RPEHTXGKMLZEOI-AWEZNQCLSA-N 0 3 285.391 2.101 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)[C@H](C#N)CC ZINC000593700350 345524813 /nfs/dbraw/zinc/52/48/13/345524813.db2.gz SWRCTTCIBRNBAZ-AWEZNQCLSA-N 0 3 265.401 2.261 20 30 CEEDHN CC[C@@H](C#N)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000593708903 345525943 /nfs/dbraw/zinc/52/59/43/345525943.db2.gz SBZSDOHNVHOBRF-FZMZJTMJSA-N 0 3 277.343 2.094 20 30 CEEDHN CC[C@H](N[C@H](CO)CCF)c1ccc(C#N)cc1 ZINC000593718569 345526610 /nfs/dbraw/zinc/52/66/10/345526610.db2.gz KAUYGGSYPHCYLI-KBPBESRZSA-N 0 3 250.317 2.319 20 30 CEEDHN CC[C@H](C#N)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000593744324 345531432 /nfs/dbraw/zinc/53/14/32/345531432.db2.gz DEMTWJKGWLXLJI-IXDOHACOSA-N 0 3 297.402 2.269 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000593613541 345513294 /nfs/dbraw/zinc/51/32/94/345513294.db2.gz SBLHNRPMCOCDEQ-JSGCOSHPSA-N 0 3 288.347 2.184 20 30 CEEDHN Cc1cc(C#N)cnc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594195295 345597029 /nfs/dbraw/zinc/59/70/29/345597029.db2.gz DZWQAXNVDUXLBU-CABCVRRESA-N 0 3 298.390 2.008 20 30 CEEDHN CN(C)Cc1ccccc1CNC(=O)CCCCC#N ZINC000594216515 345599251 /nfs/dbraw/zinc/59/92/51/345599251.db2.gz SAJCXTZDMFAFCT-UHFFFAOYSA-N 0 3 273.380 2.448 20 30 CEEDHN CN1CCC(CC(=O)N2Cc3ccc(C#N)cc3C2)CC1 ZINC000594401377 345621312 /nfs/dbraw/zinc/62/13/12/345621312.db2.gz WSKCRZMAAKLXKA-UHFFFAOYSA-N 0 3 283.375 2.132 20 30 CEEDHN COc1cc(NC(=O)[C@H](N)CCCCC#N)cc(OC)c1 ZINC000594424363 345625165 /nfs/dbraw/zinc/62/51/65/345625165.db2.gz BPIMPZJOUZKXTF-CQSZACIVSA-N 0 3 291.351 2.054 20 30 CEEDHN Cc1ccccc1C[C@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594429134 345627791 /nfs/dbraw/zinc/62/77/91/345627791.db2.gz QYHSEJFGPAZCRK-GOEBONIOSA-N 0 3 287.407 2.454 20 30 CEEDHN CC(C)(C)c1nnc(NC(=O)[C@H](N)CCCCC#N)s1 ZINC000594429505 345627816 /nfs/dbraw/zinc/62/78/16/345627816.db2.gz QSFGMSKMLKBIQZ-SECBINFHSA-N 0 3 295.412 2.185 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000594434693 345630011 /nfs/dbraw/zinc/63/00/11/345630011.db2.gz RLPZONYKVOENEP-HOCLYGCPSA-N 0 3 285.391 2.244 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCCNc1ccccc1 ZINC000594437049 345630669 /nfs/dbraw/zinc/63/06/69/345630669.db2.gz HSZLLBCLONNENA-OAHLLOKOSA-N 0 3 288.395 2.016 20 30 CEEDHN C[C@H](CCC1CC1)NC(=O)[C@H](N)CCCCC#N ZINC000594443728 345632039 /nfs/dbraw/zinc/63/20/39/345632039.db2.gz SOLNYGLUWUNLKJ-DGCLKSJQSA-N 0 3 251.374 2.093 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCc2cccc(F)c21 ZINC000594444634 345632662 /nfs/dbraw/zinc/63/26/62/345632662.db2.gz AKXJZKDFWYGVMX-ZDUSSCGKSA-N 0 3 275.327 2.126 20 30 CEEDHN CCCC1(CNC(=O)[C@@H](N)CCCCC#N)CCC1 ZINC000594445202 345632899 /nfs/dbraw/zinc/63/28/99/345632899.db2.gz BOSVASQUZUGZAW-ZDUSSCGKSA-N 0 3 265.401 2.484 20 30 CEEDHN CC(C)[C@@H](N)c1cn(CC2(C#N)CCCCC2)nn1 ZINC000594657877 345668399 /nfs/dbraw/zinc/66/83/99/345668399.db2.gz HEGSEUVZMSYSLG-CYBMUJFWSA-N 0 3 261.373 2.408 20 30 CEEDHN CC[C@@H](C)CCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000594717796 345677618 /nfs/dbraw/zinc/67/76/18/345677618.db2.gz GZKFECDLCFVJSC-CYBMUJFWSA-N 0 3 294.420 2.358 20 30 CEEDHN C[C@@H](CN1CCCC1=O)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594923682 345703618 /nfs/dbraw/zinc/70/36/18/345703618.db2.gz FFMZMWIBFSILQM-AWEZNQCLSA-N 0 3 297.402 2.342 20 30 CEEDHN N#CC1CCC(CNCc2cc3n(n2)CCC3)CC1 ZINC000594937542 345709457 /nfs/dbraw/zinc/70/94/57/345709457.db2.gz QPWULAJQOPAMHZ-UHFFFAOYSA-N 0 3 258.369 2.249 20 30 CEEDHN N#Cc1ccc(CCNCc2cc3n(n2)CCCC3)cc1 ZINC000594955308 345714958 /nfs/dbraw/zinc/71/49/58/345714958.db2.gz MVGYLGVLNYCEOW-UHFFFAOYSA-N 0 3 280.375 2.423 20 30 CEEDHN Cc1cccc(C)c1[C@@H]1CCCN1CC(=O)NCC#N ZINC000595603177 345823446 /nfs/dbraw/zinc/82/34/46/345823446.db2.gz YLYVTNADNMDKTJ-AWEZNQCLSA-N 0 3 271.364 2.080 20 30 CEEDHN N#Cc1ccc(CCN2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000595318614 345761711 /nfs/dbraw/zinc/76/17/11/345761711.db2.gz XDASZGPNXIWTHZ-KRWDZBQOSA-N 0 3 297.402 2.188 20 30 CEEDHN CN1CCN(CCc2ccc(C#N)cc2)C(C)(C)C1 ZINC000595406510 345775143 /nfs/dbraw/zinc/77/51/43/345775143.db2.gz JXYIOEZHSGDNRT-UHFFFAOYSA-N 0 3 257.381 2.127 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595598747 345822023 /nfs/dbraw/zinc/82/20/23/345822023.db2.gz VORXQRRCNJXRKK-CZUORRHYSA-N 0 3 292.427 2.052 20 30 CEEDHN CN(CC(=O)NCC#N)C1CC(C)(C)CC(C)(C)C1 ZINC000595704672 345855253 /nfs/dbraw/zinc/85/52/53/345855253.db2.gz NAYWQOXPGUKTSD-UHFFFAOYSA-N 0 3 265.401 2.163 20 30 CEEDHN Cc1cc(C#N)ccc1CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000595784351 345875982 /nfs/dbraw/zinc/87/59/82/345875982.db2.gz VAUQUJMZKFSWGD-HUUCEWRRSA-N 0 3 256.349 2.260 20 30 CEEDHN N#CC1(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CCCC1 ZINC000595967023 345918748 /nfs/dbraw/zinc/91/87/48/345918748.db2.gz WWXDKZMCZPNKHN-OAHLLOKOSA-N 0 3 299.374 2.370 20 30 CEEDHN CNC(=O)CC1(CNC[C@@H](C#N)CCC#N)CCCCC1 ZINC000596064335 345930991 /nfs/dbraw/zinc/93/09/91/345930991.db2.gz GFHOKKLGUWAIRN-CQSZACIVSA-N 0 3 290.411 2.106 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1nc2ncccc2cc1C#N ZINC000596152763 345953138 /nfs/dbraw/zinc/95/31/38/345953138.db2.gz RDVMJFJQFGYGHX-WFASDCNBSA-N 0 3 295.390 2.278 20 30 CEEDHN CN1CC[C@H]2CCN(c3nc4ncccc4cc3C#N)[C@@H]2C1 ZINC000596189759 345964690 /nfs/dbraw/zinc/96/46/90/345964690.db2.gz QUHMDUCAJDPPBL-SWLSCSKDSA-N 0 3 293.374 2.032 20 30 CEEDHN N#Cc1cc2cccnc2nc1N1CC[C@H](N2CCCC2)C1 ZINC000596103848 345940935 /nfs/dbraw/zinc/94/09/35/345940935.db2.gz GYCFQICBHXDBPY-HNNXBMFYSA-N 0 3 293.374 2.176 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)c1nc2ncccc2cc1C#N ZINC000596130172 345946161 /nfs/dbraw/zinc/94/61/61/345946161.db2.gz WEBBRXGXYCZYQN-ZDUSSCGKSA-N 0 3 295.390 2.279 20 30 CEEDHN Cc1ccc(C#N)nc1NCCCN1CCCO[C@@H](C)C1 ZINC000596209282 345970091 /nfs/dbraw/zinc/97/00/91/345970091.db2.gz RBNXIFQGPINFQY-AWEZNQCLSA-N 0 3 288.395 2.175 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1c(C#N)cnn1C ZINC000596220069 345972689 /nfs/dbraw/zinc/97/26/89/345972689.db2.gz VJWYUIJHWRAXCH-BBRMVZONSA-N 0 3 295.390 2.224 20 30 CEEDHN CN(C[C@H]1CCCN1C)c1nc(C#N)c(Cl)s1 ZINC000596278447 345989713 /nfs/dbraw/zinc/98/97/13/345989713.db2.gz NCLLQLBHWJWWKN-MRVPVSSYSA-N 0 3 270.789 2.199 20 30 CEEDHN CN(C[C@@H]1CCCN1C)c1nc(C#N)c(Cl)s1 ZINC000596278448 345989757 /nfs/dbraw/zinc/98/97/57/345989757.db2.gz NCLLQLBHWJWWKN-QMMMGPOBSA-N 0 3 270.789 2.199 20 30 CEEDHN Cc1ccc(NC[C@H]2CCN2Cc2ccccc2)nc1C#N ZINC000596559124 346054760 /nfs/dbraw/zinc/05/47/60/346054760.db2.gz WUDZGCRFOUGVBU-MRXNPFEDSA-N 0 3 292.386 2.370 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)CC(C)(C)C#N ZINC000596844151 346095675 /nfs/dbraw/zinc/09/56/75/346095675.db2.gz JKBPMRUOXJOSDZ-AWEZNQCLSA-N 0 3 294.443 2.298 20 30 CEEDHN CCCN1CC[C@H](NC(=O)Nc2cccc(CC#N)c2)C1 ZINC000596926810 346106651 /nfs/dbraw/zinc/10/66/51/346106651.db2.gz YZACPIFXWKMVBP-HNNXBMFYSA-N 0 3 286.379 2.358 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)NCC1(C#N)CCCCC1 ZINC000596867770 346098203 /nfs/dbraw/zinc/09/82/03/346098203.db2.gz FHLAEPRIOYIRLP-UHFFFAOYSA-N 0 3 292.427 2.196 20 30 CEEDHN C[C@H](CC#N)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000596879885 346100222 /nfs/dbraw/zinc/10/02/22/346100222.db2.gz JAGHSDUZMFXRNF-CYBMUJFWSA-N 0 3 265.401 2.117 20 30 CEEDHN CC1(C)CN(Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1O ZINC000597114824 346130052 /nfs/dbraw/zinc/13/00/52/346130052.db2.gz AXQLTNFETZDJPY-HNNXBMFYSA-N 0 3 270.376 2.444 20 30 CEEDHN C[C@@H](CC#N)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000597281781 346167470 /nfs/dbraw/zinc/16/74/70/346167470.db2.gz WQYACOQETHFBNG-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN COc1cc(CN2CCC[C@](O)(C3CC3)C2)ccc1C#N ZINC000597204061 346148319 /nfs/dbraw/zinc/14/83/19/346148319.db2.gz BYZZJOZTPGNYER-QGZVFWFLSA-N 0 3 286.375 2.304 20 30 CEEDHN C[C@H](CNC(=O)[C@@H](C)CC#N)N(C)Cc1ccccc1 ZINC000597206233 346148329 /nfs/dbraw/zinc/14/83/29/346148329.db2.gz MXDGQZRXANHDDS-UONOGXRCSA-N 0 3 273.380 2.173 20 30 CEEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1COCCO1 ZINC000597207880 346148628 /nfs/dbraw/zinc/14/86/28/346148628.db2.gz WLUCUOVASZBJQX-MRXNPFEDSA-N 0 3 286.375 2.089 20 30 CEEDHN C[C@@H](O)C1(NCc2cccc(OCCCC#N)c2)CC1 ZINC000597233924 346156677 /nfs/dbraw/zinc/15/66/77/346156677.db2.gz COLWZPSRNDJOCR-CYBMUJFWSA-N 0 3 274.364 2.372 20 30 CEEDHN COCC1(NCc2cnc3c(C#N)cnn3c2)CCCCC1 ZINC000597255655 346162948 /nfs/dbraw/zinc/16/29/48/346162948.db2.gz YDZKXVQWCOPFPN-UHFFFAOYSA-N 0 3 299.378 2.040 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CCC[C@]2(CCN(C)C2)C1 ZINC000597716728 346221341 /nfs/dbraw/zinc/22/13/41/346221341.db2.gz STRSKCJONGGHRZ-GOSISDBHSA-N 0 3 297.402 2.425 20 30 CEEDHN CN1CC[C@@H]2CN(C(=O)CC3(C#N)CCCCC3)C[C@@H]21 ZINC000597726473 346222382 /nfs/dbraw/zinc/22/23/82/346222382.db2.gz CUUOERWKWJZIQC-KGLIPLIRSA-N 0 3 275.396 2.013 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(F)c(C#N)c1 ZINC000597859233 346239428 /nfs/dbraw/zinc/23/94/28/346239428.db2.gz BUMNDIDNAOGRKB-CYBMUJFWSA-N 0 3 289.354 2.300 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000597920408 346253307 /nfs/dbraw/zinc/25/33/07/346253307.db2.gz BKNGEDZPHQKZBG-CQSZACIVSA-N 0 3 285.391 2.469 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H](CO)C1CCC1 ZINC000597920302 346253488 /nfs/dbraw/zinc/25/34/88/346253488.db2.gz SDVYPLJZEMWUSU-HOTGVXAUSA-N 0 3 286.375 2.036 20 30 CEEDHN CCN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)[C@H]1CCN(C)C1 ZINC000597945671 346256226 /nfs/dbraw/zinc/25/62/26/346256226.db2.gz IZNXODJZBICBGO-YOEHRIQHSA-N 0 3 299.418 2.289 20 30 CEEDHN COc1cccc([C@@]2(C)CCN(C(=O)C(C)C#N)C2)c1 ZINC000598223202 346310150 /nfs/dbraw/zinc/31/01/50/346310150.db2.gz AWGIERWVYNQRCG-LRDDRELGSA-N 0 3 272.348 2.345 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1C[C@@H](O)C12CCC2 ZINC000598304856 346322462 /nfs/dbraw/zinc/32/24/62/346322462.db2.gz JLHAPTXKIUNWNI-HRCADAONSA-N 0 3 298.386 2.179 20 30 CEEDHN CC(C)[C@@H](C(=O)N1CC[C@](C)(C#N)C1)N1CCCCC1 ZINC000598416681 346352161 /nfs/dbraw/zinc/35/21/61/346352161.db2.gz VHGGSOVZCKNOMC-GOEBONIOSA-N 0 3 277.412 2.259 20 30 CEEDHN CN(C)[C@H](CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602587621 347090224 /nfs/dbraw/zinc/09/02/24/347090224.db2.gz QVWPQIYZEOSLDC-QGZVFWFLSA-N 0 3 280.375 2.346 20 30 CEEDHN CC(C)[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCN1 ZINC000598572108 346376299 /nfs/dbraw/zinc/37/62/99/346376299.db2.gz KZXLHPZLUHOUML-INIZCTEOSA-N 0 3 297.402 2.312 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCc2ccccc2C1 ZINC000598584699 346377499 /nfs/dbraw/zinc/37/74/99/346377499.db2.gz SGGFZFSLMVWNGF-HNNXBMFYSA-N 0 3 258.365 2.345 20 30 CEEDHN CC(C)[C@H]1CN(C[C@H](O)CC(C)(C)C#N)CCS1 ZINC000598591390 346379779 /nfs/dbraw/zinc/37/97/79/346379779.db2.gz APVJIMGOSKQCFG-CHWSQXEVSA-N 0 3 270.442 2.361 20 30 CEEDHN CC(C)[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)CCS1 ZINC000598591399 346379793 /nfs/dbraw/zinc/37/97/93/346379793.db2.gz APVJIMGOSKQCFG-STQMWFEESA-N 0 3 270.442 2.361 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H](CCO)c1ccccc1F ZINC000598626700 346387733 /nfs/dbraw/zinc/38/77/33/346387733.db2.gz ZQCJVMJGVMJLMV-DOMZBBRYSA-N 0 3 294.370 2.140 20 30 CEEDHN C[C@H]1CN(C[C@@H](O)CC(C)(C)C#N)CC2(CCCC2)O1 ZINC000598626691 346387911 /nfs/dbraw/zinc/38/79/11/346387911.db2.gz ZKVVEBJGLVYVCF-KBPBESRZSA-N 0 3 280.412 2.321 20 30 CEEDHN C[C@H]1CCN(Cc2cc(C#N)cs2)C[C@@H]1CO ZINC000598676485 346398357 /nfs/dbraw/zinc/39/83/57/346398357.db2.gz ITIUMCAQUJJXHM-CMPLNLGQSA-N 0 3 250.367 2.070 20 30 CEEDHN CC(=O)N1CC[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000598678984 346399174 /nfs/dbraw/zinc/39/91/74/346399174.db2.gz CCDQOWCPJJYNMK-NVXWUHKLSA-N 0 3 283.375 2.146 20 30 CEEDHN Cc1cc(CNC[C@@H](O)CC(C)(C)C#N)cc(C)n1 ZINC000598726218 346409818 /nfs/dbraw/zinc/40/98/18/346409818.db2.gz PRIKIAVBDFVBRR-AWEZNQCLSA-N 0 3 261.369 2.089 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1COCc2ccccc21 ZINC000598727198 346409913 /nfs/dbraw/zinc/40/99/13/346409913.db2.gz DQHFYQKMSMVJLJ-UKRRQHHQSA-N 0 3 274.364 2.148 20 30 CEEDHN CC1(C)CC[C@H](CO)N(CCOc2cccc(C#N)c2)C1 ZINC000598646551 346392455 /nfs/dbraw/zinc/39/24/55/346392455.db2.gz GTQCYNDODRNILE-OAHLLOKOSA-N 0 3 288.391 2.420 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(Cl)cn1 ZINC000598724311 346409240 /nfs/dbraw/zinc/40/92/40/346409240.db2.gz NULUJTOVJZITPP-LBPRGKRZSA-N 0 3 267.760 2.125 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H](O)[C@@H]1CCCO1 ZINC000599066040 346454889 /nfs/dbraw/zinc/45/48/89/346454889.db2.gz OARJUWBTGUOFSD-ULQDDVLXSA-N 0 3 286.375 2.065 20 30 CEEDHN Cc1noc([C@H]2OCC[C@H]2N[C@H](C)c2ccc(C#N)cc2)n1 ZINC000599093229 346459064 /nfs/dbraw/zinc/45/90/64/346459064.db2.gz ROKDHWKUHUUROF-KMUNFCNLSA-N 0 3 298.346 2.431 20 30 CEEDHN Cc1ncc([C@@H](C)NC(=O)[C@H](N)CCCCC#N)s1 ZINC000602599046 347095049 /nfs/dbraw/zinc/09/50/49/347095049.db2.gz FUQZJRCVISOPBC-MWLCHTKSSA-N 0 3 280.397 2.040 20 30 CEEDHN CCN(Cc1ccoc1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599282076 346490418 /nfs/dbraw/zinc/49/04/18/346490418.db2.gz MYTAUMZSCURKDA-OAHLLOKOSA-N 0 3 292.379 2.173 20 30 CEEDHN Cc1ccc(CN2CCN(C[C@H]3CCOC3)CC2)cc1C#N ZINC000599306254 346495611 /nfs/dbraw/zinc/49/56/11/346495611.db2.gz GKAGDKLOBUWAKY-QGZVFWFLSA-N 0 3 299.418 2.021 20 30 CEEDHN CN(CCOc1cccc(C#N)c1)[C@@H]1CCCOC1 ZINC000336798981 365823870 /nfs/dbraw/zinc/82/38/70/365823870.db2.gz HADUDBITZRAYTQ-CQSZACIVSA-N 0 3 260.337 2.048 20 30 CEEDHN Cn1nccc1CCN1CCc2c(CC#N)cccc2C1 ZINC000599678503 346562637 /nfs/dbraw/zinc/56/26/37/346562637.db2.gz RYLVLDGKKKDEGD-UHFFFAOYSA-N 0 3 280.375 2.087 20 30 CEEDHN Cc1ccc(CN2C[C@@H](C)[C@@](C)(CO)C2)cc1C#N ZINC000599481325 346527409 /nfs/dbraw/zinc/52/74/09/346527409.db2.gz KCFHHRULXIHAAC-CZUORRHYSA-N 0 3 258.365 2.317 20 30 CEEDHN C=CC[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599526936 346532021 /nfs/dbraw/zinc/53/20/21/346532021.db2.gz XHLAOSAZQDZBQL-NSHDSACASA-N 0 3 289.335 2.092 20 30 CEEDHN C=CC[C@H]1CCN(Cc2ccc(C(=O)OC)cn2)C1 ZINC000599529478 346533042 /nfs/dbraw/zinc/53/30/42/346533042.db2.gz NBKNXTQWTXDZHO-LBPRGKRZSA-N 0 3 260.337 2.266 20 30 CEEDHN CC1(C)CCC(C)(C)N(CC(=O)NC2(C#N)CCC2)C1 ZINC000599538542 346534103 /nfs/dbraw/zinc/53/41/03/346534103.db2.gz OOOPAIQYPNSZKO-UHFFFAOYSA-N 0 3 277.412 2.449 20 30 CEEDHN N#Cc1ccc(CN2C[C@@H]3CCC[C@]3(CO)C2)s1 ZINC000599639067 346550896 /nfs/dbraw/zinc/55/08/96/346550896.db2.gz XDLHAOHPISWHOD-SMDDNHRTSA-N 0 3 262.378 2.214 20 30 CEEDHN CCC(C#N)C(=O)N1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000600137515 346603254 /nfs/dbraw/zinc/60/32/54/346603254.db2.gz CFHNNRGKVHMWST-IAQYHMDHSA-N 0 3 280.368 2.259 20 30 CEEDHN COC[C@@H](C)CN1CCc2c(CC#N)cccc2C1 ZINC000600213413 346624557 /nfs/dbraw/zinc/62/45/57/346624557.db2.gz VMKQHZLRDMWTMD-ZDUSSCGKSA-N 0 3 258.365 2.393 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)c2ccccc2CC#N)C1 ZINC000600998537 346729145 /nfs/dbraw/zinc/72/91/45/346729145.db2.gz WQRIIXNJYVOVFH-AWEZNQCLSA-N 0 3 285.391 2.214 20 30 CEEDHN N#CC1(C[C@H](O)CNCc2ccc(OC(F)F)cc2)CC1 ZINC000600713508 346675827 /nfs/dbraw/zinc/67/58/27/346675827.db2.gz ARHKMRSEAKRASZ-LBPRGKRZSA-N 0 3 296.317 2.432 20 30 CEEDHN N#CC1(C[C@H](O)CNCc2nc3ccccc3s2)CC1 ZINC000600720548 346677807 /nfs/dbraw/zinc/67/78/07/346677807.db2.gz ZHKPVJGMUHTFPR-NSHDSACASA-N 0 3 287.388 2.441 20 30 CEEDHN Cc1ccc2[nH]c(CNC[C@H](O)CC3(C#N)CC3)nc2c1 ZINC000600731740 346679979 /nfs/dbraw/zinc/67/99/79/346679979.db2.gz ZLUJEYYCAVGQQU-GFCCVEGCSA-N 0 3 284.363 2.016 20 30 CEEDHN Cc1ccc2nc(CNC[C@H](O)CC3(C#N)CC3)[nH]c2c1 ZINC000600731740 346679983 /nfs/dbraw/zinc/67/99/83/346679983.db2.gz ZLUJEYYCAVGQQU-GFCCVEGCSA-N 0 3 284.363 2.016 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H]1CCOC[C@@H]1C ZINC000336810133 365848169 /nfs/dbraw/zinc/84/81/69/365848169.db2.gz YMECCYTVAYFFSF-FZMZJTMJSA-N 0 3 260.337 2.081 20 30 CEEDHN N#Cc1cnc(N[C@@H]2CCN(CC3CC3)C2)c2sccc21 ZINC000601115543 346756981 /nfs/dbraw/zinc/75/69/81/346756981.db2.gz IEERBZLJZXSWTO-CYBMUJFWSA-N 0 3 298.415 2.486 20 30 CEEDHN COCCc1ncc(CNCC2(CC#N)CC2)s1 ZINC000601121840 346759856 /nfs/dbraw/zinc/75/98/56/346759856.db2.gz PISCUHXIUFKPON-UHFFFAOYSA-N 0 3 265.382 2.115 20 30 CEEDHN Cc1cc(C#N)cc(N(C)[C@H]2CCN(C)C[C@@H]2C)n1 ZINC000601125943 346761678 /nfs/dbraw/zinc/76/16/78/346761678.db2.gz LBVOZYWJHDQJST-FZMZJTMJSA-N 0 3 258.369 2.038 20 30 CEEDHN C=CCCN1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 ZINC000129364164 365850830 /nfs/dbraw/zinc/85/08/30/365850830.db2.gz UQGGLLAVCCVWGY-IAGOWNOFSA-N 0 3 272.392 2.148 20 30 CEEDHN C[C@H](CNc1cc(C#N)nc(C2CC2)n1)N1CCC[C@H](C)C1 ZINC000601104940 346754013 /nfs/dbraw/zinc/75/40/13/346754013.db2.gz NOORUMYDMYCMCC-QWHCGFSZSA-N 0 3 299.422 2.180 20 30 CEEDHN C[C@@H](CCC#N)CN1CCN(C(=O)N(C)C)CC1(C)C ZINC000602616700 347104397 /nfs/dbraw/zinc/10/43/97/347104397.db2.gz MWVPOPWYBCOEHX-ZDUSSCGKSA-N 0 3 280.416 2.004 20 30 CEEDHN Cc1ccc(CN2CC[C@H](Nc3cnc(C#N)cn3)C2)cc1 ZINC000601250323 346801479 /nfs/dbraw/zinc/80/14/79/346801479.db2.gz LKGTTWJMPBTKAG-HNNXBMFYSA-N 0 3 293.374 2.343 20 30 CEEDHN COC(=O)[C@H](CC(C)C)N(C)C[C@H](C)CCC#N ZINC000602670976 347134662 /nfs/dbraw/zinc/13/46/62/347134662.db2.gz SPEWSCNTMQQLCC-OLZOCXBDSA-N 0 3 254.374 2.446 20 30 CEEDHN C[C@@H](CCC#N)CN[C@@H](c1nccn1C)C(C)(C)CO ZINC000602678517 347140299 /nfs/dbraw/zinc/14/02/99/347140299.db2.gz DQGKMQUDXJUUMB-STQMWFEESA-N 0 3 278.400 2.009 20 30 CEEDHN CO[C@H](CN1CCC[C@H](CC#N)C1)C1CCOCC1 ZINC000602707355 347162260 /nfs/dbraw/zinc/16/22/60/347162260.db2.gz UFFGRRWUYXTVBK-UKRRQHHQSA-N 0 3 266.385 2.054 20 30 CEEDHN C=CCC1(NCc2cccc(C#N)n2)CCOCC1 ZINC000602709686 347163873 /nfs/dbraw/zinc/16/38/73/347163873.db2.gz PHVYRPSXRCNYSN-UHFFFAOYSA-N 0 3 257.337 2.168 20 30 CEEDHN CO[C@@H](CN1C[C@@H](C)N(CC#N)[C@@H](C)C1)C1CCCC1 ZINC000602851383 347224399 /nfs/dbraw/zinc/22/43/99/347224399.db2.gz VSVAQSBJHYPQDY-LZWOXQAQSA-N 0 3 279.428 2.110 20 30 CEEDHN COC(=O)[C@@]1(C)CN(Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000602929897 347249752 /nfs/dbraw/zinc/24/97/52/347249752.db2.gz XWLYSRRGQDUEEK-GUYCJALGSA-N 0 3 286.375 2.498 20 30 CEEDHN N#Cc1cc(NC(=O)NC[C@@H]2CCN2C2CCCC2)ccn1 ZINC000603118043 347290408 /nfs/dbraw/zinc/29/04/08/347290408.db2.gz FEYZEWDZZCDARE-HNNXBMFYSA-N 0 3 299.378 2.092 20 30 CEEDHN CC[C@@]1(O)CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000602983899 347266554 /nfs/dbraw/zinc/26/65/54/347266554.db2.gz WVMALFUADRCRTN-MRXNPFEDSA-N 0 3 274.364 2.304 20 30 CEEDHN N#Cc1ccc(CCN2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 ZINC000602988279 347268907 /nfs/dbraw/zinc/26/89/07/347268907.db2.gz FQAWOWNSDUIYET-UONOGXRCSA-N 0 3 298.308 2.203 20 30 CEEDHN CN(CCN1CCCC1)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603079440 347282905 /nfs/dbraw/zinc/28/29/05/347282905.db2.gz TYNYHBFMBUOJLK-UHFFFAOYSA-N 0 3 290.342 2.257 20 30 CEEDHN CN1CCC[C@H](CNC(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000603079761 347283087 /nfs/dbraw/zinc/28/30/87/347283087.db2.gz XNODXUXFVLPYDF-LLVKDONJSA-N 0 3 290.342 2.161 20 30 CEEDHN CC[C@@](C)(N)c1cn([C@H](C)c2ccc(C#N)cc2)nn1 ZINC000603229470 347316764 /nfs/dbraw/zinc/31/67/64/347316764.db2.gz YGNDWRIUMFOBRW-IAQYHMDHSA-N 0 3 269.352 2.343 20 30 CEEDHN CC[C@H](N)c1cn(Cc2ccc(Cl)cc2C#N)nn1 ZINC000603244610 347320931 /nfs/dbraw/zinc/32/09/31/347320931.db2.gz VHMBPTQJORFWLZ-LBPRGKRZSA-N 0 3 275.743 2.261 20 30 CEEDHN C=C(CNCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000604473807 347417034 /nfs/dbraw/zinc/41/70/34/347417034.db2.gz LLVVPCYEAXZVCC-UHFFFAOYSA-N 0 3 289.342 2.404 20 30 CEEDHN C=C(Cl)CN[C@@H](C)Cn1cc(Br)cn1 ZINC000129780325 365893100 /nfs/dbraw/zinc/89/31/00/365893100.db2.gz JSOYUMFWUMIBPE-QMMMGPOBSA-N 0 3 278.581 2.376 20 30 CEEDHN C=C1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000609396797 347638484 /nfs/dbraw/zinc/63/84/84/347638484.db2.gz JUMAOEDSYMNQGR-MRXNPFEDSA-N 0 3 286.375 2.144 20 30 CEEDHN CC[C@@H](C(=O)NCc1ccc(C#N)cc1F)N(CC)CC ZINC000609857379 347653330 /nfs/dbraw/zinc/65/33/30/347653330.db2.gz HMBLWDZWHGYIQR-HNNXBMFYSA-N 0 3 291.370 2.434 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000609921130 347655576 /nfs/dbraw/zinc/65/55/76/347655576.db2.gz MPALFGQFPWVBAM-NWDGAFQWSA-N 0 3 291.782 2.442 20 30 CEEDHN CCc1ccc(CN2CCN(C(=O)C(C)C#N)CC2)s1 ZINC000610016117 347658427 /nfs/dbraw/zinc/65/84/27/347658427.db2.gz NWVBBTBUKZNDDT-GFCCVEGCSA-N 0 3 291.420 2.114 20 30 CEEDHN CC(C)(C#N)CCCN1CCN(C[C@H]2CCCO2)CC1 ZINC000610447480 347681996 /nfs/dbraw/zinc/68/19/96/347681996.db2.gz ASFASZYYLNLJRE-OAHLLOKOSA-N 0 3 279.428 2.113 20 30 CEEDHN CC(C#N)C(=O)NCc1c(F)c(F)cc(F)c1F ZINC000610637298 347697685 /nfs/dbraw/zinc/69/76/85/347697685.db2.gz LUKGFUFTTPCWSD-YFKPBYRVSA-N 0 3 260.190 2.019 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CC[C@@H](CO)CC2)c(F)c1 ZINC000610947091 347723874 /nfs/dbraw/zinc/72/38/74/347723874.db2.gz KWOGHZHYJGZXNJ-VDISTLRHSA-N 0 3 262.328 2.338 20 30 CEEDHN N#CC(C(=O)NC[C@H]1CCCO1)c1ccc2ccccc2n1 ZINC000611158155 347745838 /nfs/dbraw/zinc/74/58/38/347745838.db2.gz DMXSFTFAIFAWAI-ZIAGYGMSSA-N 0 3 295.342 2.137 20 30 CEEDHN CC(C)(C)CN(CCO)Cc1ccc(C#N)s1 ZINC000611269287 347760662 /nfs/dbraw/zinc/76/06/62/347760662.db2.gz BLCZNWXMGSQZNE-UHFFFAOYSA-N 0 3 252.383 2.460 20 30 CEEDHN Cn1cc(CNC2CCC(C#N)(c3ccccc3)CC2)nn1 ZINC000611973651 347831095 /nfs/dbraw/zinc/83/10/95/347831095.db2.gz WFUDKWUWCYYEBG-UHFFFAOYSA-N 0 3 295.390 2.309 20 30 CEEDHN N#Cc1cc(CN2CCC[C@H]2C2CCOCC2)ccn1 ZINC000611483694 347784507 /nfs/dbraw/zinc/78/45/07/347784507.db2.gz DLDBTRJOVHCANX-INIZCTEOSA-N 0 3 271.364 2.344 20 30 CEEDHN C=C(C)CN1CCC(Nc2cc(C)nc(OC)n2)CC1 ZINC000680621310 539584686 /nfs/dbraw/zinc/58/46/86/539584686.db2.gz AEUYZJHROXOWCS-UHFFFAOYSA-N 0 3 276.384 2.246 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]1CC(C)C ZINC000130217544 365934421 /nfs/dbraw/zinc/93/44/21/365934421.db2.gz LIORZENTGLKCAR-CQSZACIVSA-N 0 3 265.401 2.259 20 30 CEEDHN CCOC(=O)C1(CNCc2cc(C#N)cs2)CC1 ZINC000351914814 219246906 /nfs/dbraw/zinc/24/69/06/219246906.db2.gz FKFUQBVFMXKYIK-UHFFFAOYSA-N 0 3 264.350 2.053 20 30 CEEDHN CN1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614159583 348152256 /nfs/dbraw/zinc/15/22/56/348152256.db2.gz IGZIXEJZXSXXEC-UHFFFAOYSA-N 0 3 257.381 2.235 20 30 CEEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)[C@]1(CO)CCOC1 ZINC000614182129 348155426 /nfs/dbraw/zinc/15/54/26/348155426.db2.gz DTOISDQILKEZNN-KRWDZBQOSA-N 0 3 288.391 2.071 20 30 CEEDHN CC(=O)N1CC[C@@H](NCc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000614205114 348157276 /nfs/dbraw/zinc/15/72/76/348157276.db2.gz XNESKOXMTJIAPS-BDJLRTHQSA-N 0 3 289.354 2.044 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CC[C@@H]3CCC[C@@H]32)c1 ZINC000614600729 348221222 /nfs/dbraw/zinc/22/12/22/348221222.db2.gz FLQCMQWYNQQDIE-HOTGVXAUSA-N 0 3 283.375 2.049 20 30 CEEDHN CCO[C@@H]1COCC[C@H]1NCc1ccc(C#N)cc1C ZINC000614406788 348195540 /nfs/dbraw/zinc/19/55/40/348195540.db2.gz UHAZLIRHAABJFM-HZPDHXFCSA-N 0 3 274.364 2.150 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@@H](C)N(C)C[C@@H]1C ZINC000351952938 219263634 /nfs/dbraw/zinc/26/36/34/219263634.db2.gz ZIEJNNGFRVPTJO-OLZOCXBDSA-N 0 3 273.380 2.091 20 30 CEEDHN C=C(Br)CN1CCC[C@H]1CN1CCCC1 ZINC000066665171 362879877 /nfs/dbraw/zinc/87/98/77/362879877.db2.gz 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/nfs/dbraw/zinc/74/80/35/370748035.db2.gz VAUJWKKJOZBYHM-UHFFFAOYSA-N 0 3 285.372 2.051 20 30 CEEDHN COC(=O)C(C)(C)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000093715729 364220396 /nfs/dbraw/zinc/22/03/96/364220396.db2.gz UNDVVGPRNIDACF-NSHDSACASA-N 0 3 260.337 2.408 20 30 CEEDHN CC#CCCNCc1cnc(N(CC)CC)s1 ZINC000158308992 366855721 /nfs/dbraw/zinc/85/57/21/366855721.db2.gz KVOVSFQASRGWIX-UHFFFAOYSA-N 0 3 251.399 2.492 20 30 CEEDHN C[C@H]1CC[C@@H](C(N)=O)CN1CC#Cc1cccc(Cl)c1 ZINC000158471956 366857154 /nfs/dbraw/zinc/85/71/54/366857154.db2.gz OONDKAZHSPSCJM-GXTWGEPZSA-N 0 3 290.794 2.277 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN1CCC[C@@H]1C1CCC1)C1CC1 ZINC000102926859 364619143 /nfs/dbraw/zinc/61/91/43/364619143.db2.gz KVLFNKMGWSFVFN-ZBFHGGJFSA-N 0 3 275.396 2.059 20 30 CEEDHN C=C(C)CN(CC)C(=O)NCCN(C)CCCC ZINC000112465106 364810447 /nfs/dbraw/zinc/81/04/47/364810447.db2.gz IJMRPNGGEXCLFP-UHFFFAOYSA-N 0 3 255.406 2.326 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)C[C@H]1CCCN1C ZINC000335601731 212314914 /nfs/dbraw/zinc/31/49/14/212314914.db2.gz YLWFHBMZCJBTLT-CQSZACIVSA-N 0 3 271.364 2.033 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000680427308 541411753 /nfs/dbraw/zinc/41/17/53/541411753.db2.gz RVFSJJIWXUGCGO-UNIGVISCSA-N 0 3 261.365 2.466 20 30 CEEDHN C=CC[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000117036961 365088642 /nfs/dbraw/zinc/08/86/42/365088642.db2.gz NQPRFNYCPDRTLF-HOCLYGCPSA-N 0 3 289.423 2.423 20 30 CEEDHN C=CC[C@H](C)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000117032179 365089291 /nfs/dbraw/zinc/08/92/91/365089291.db2.gz QXDBBOMXXQMXMA-QWHCGFSZSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCCCN1CCN(Cc2c(C)noc2C)CC1 ZINC000117874960 365129224 /nfs/dbraw/zinc/12/92/24/365129224.db2.gz BOTAFTVAAQHJGA-UHFFFAOYSA-N 0 3 263.385 2.375 20 30 CEEDHN CCN(CC(=O)N(CCC#N)CCC#N)[C@@H](C)C(C)C ZINC000118833071 365183076 /nfs/dbraw/zinc/18/30/76/365183076.db2.gz CDLMVFMFAGPICQ-AWEZNQCLSA-N 0 3 278.400 2.009 20 30 CEEDHN C[C@H](C(=O)N(C)[C@H]1CN2CCC1CC2)c1cccc(C#N)c1 ZINC000335908615 365147902 /nfs/dbraw/zinc/14/79/02/365147902.db2.gz VUGUNMWUOIPDSM-GUYCJALGSA-N 0 3 297.402 2.214 20 30 CEEDHN CC(C#N)C(=O)NC1(Cc2cccc(F)c2)CCOCC1 ZINC000357228033 370810326 /nfs/dbraw/zinc/81/03/26/370810326.db2.gz HZMPOAVCJCEMBQ-LBPRGKRZSA-N 0 3 290.338 2.193 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](CC(N)=O)C1 ZINC000245408021 370816257 /nfs/dbraw/zinc/81/62/57/370816257.db2.gz FEWLXGIARDVRLZ-OCCSQVGLSA-N 0 3 271.364 2.207 20 30 CEEDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000336003085 365275991 /nfs/dbraw/zinc/27/59/91/365275991.db2.gz PQJUGZSRVBZVGO-LLVKDONJSA-N 0 3 290.342 2.255 20 30 CEEDHN C[C@@H](C(=O)N(C)[C@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000336035875 365321164 /nfs/dbraw/zinc/32/11/64/365321164.db2.gz LJGVJTLHDCELJO-CJNGLKHVSA-N 0 3 285.391 2.214 20 30 CEEDHN CN(C)C1(CNC(=O)Nc2ccc(C#N)cc2)CCC1 ZINC000275639699 193092682 /nfs/dbraw/zinc/09/26/82/193092682.db2.gz NVKNCTIBEISECB-UHFFFAOYSA-N 0 3 272.352 2.164 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]1C[C@H](C)O ZINC000159229113 366891089 /nfs/dbraw/zinc/89/10/89/366891089.db2.gz TZBCOKPONDVSSJ-SWLSCSKDSA-N 0 3 274.364 2.302 20 30 CEEDHN CN1CC[C@@H](NC(=O)NCC2(C#N)CC2)[C@H]1c1ccccc1 ZINC000583299604 367027762 /nfs/dbraw/zinc/02/77/62/367027762.db2.gz FYSBBCJQAOYANC-HUUCEWRRSA-N 0 3 298.390 2.035 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@H]1CCCC[C@H]1O ZINC000245546345 370836885 /nfs/dbraw/zinc/83/68/85/370836885.db2.gz MEESTWCCLQAWCH-ARFHVFGLSA-N 0 3 294.439 2.058 20 30 CEEDHN Cc1nccn1-c1ccc(CNC(=O)C(C)C#N)cc1F ZINC000357826597 370831251 /nfs/dbraw/zinc/83/12/51/370831251.db2.gz MNNMJYGDYFKAOL-JTQLQIEISA-N 0 3 286.310 2.096 20 30 CEEDHN C[C@H](Nc1cc(C#N)ncn1)[C@H](c1ccccc1)N(C)C ZINC000588037188 367190258 /nfs/dbraw/zinc/19/02/58/367190258.db2.gz UTQZIVHKIOGZGR-BLLLJJGKSA-N 0 3 281.363 2.452 20 30 CEEDHN CC(C)(CCC#N)CNCc1cc(C(N)=O)cs1 ZINC000342289409 367399076 /nfs/dbraw/zinc/39/90/76/367399076.db2.gz CAQBTWJKNVEOAG-UHFFFAOYSA-N 0 3 265.382 2.267 20 30 CEEDHN CC#CCCCC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000342292479 367399694 /nfs/dbraw/zinc/39/96/94/367399694.db2.gz QEONZUWGODRHJU-CQSZACIVSA-N 0 3 264.413 2.369 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCCC[C@H](COC)C1 ZINC000342591706 367438641 /nfs/dbraw/zinc/43/86/41/367438641.db2.gz SWHHUAYXMDNNAL-CVEARBPZSA-N 0 3 294.439 2.324 20 30 CEEDHN N#CCCCCN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000171033727 367465210 /nfs/dbraw/zinc/46/52/10/367465210.db2.gz SXNINHNELAZXES-OAHLLOKOSA-N 0 3 271.364 2.243 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000342739450 367509387 /nfs/dbraw/zinc/50/93/87/367509387.db2.gz KWTSDKMOHBLRPL-VGWMRTNUSA-N 0 3 292.423 2.053 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000171680158 367591698 /nfs/dbraw/zinc/59/16/98/367591698.db2.gz GKMBBNAQYBVQIP-UHFFFAOYSA-N 0 3 284.363 2.330 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(SC)o2)CC1 ZINC000171804656 367618112 /nfs/dbraw/zinc/61/81/12/367618112.db2.gz MFKOPYHKCHZAPA-UHFFFAOYSA-N 0 3 280.393 2.382 20 30 CEEDHN C=CCN1CCC(NC(=O)CC[C@H]2CCCCO2)CC1 ZINC000171811582 367619147 /nfs/dbraw/zinc/61/91/47/367619147.db2.gz QHSSYENMLIUKHL-OAHLLOKOSA-N 0 3 280.412 2.102 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](OCCO)C1 ZINC000172398799 367735689 /nfs/dbraw/zinc/73/56/89/367735689.db2.gz CWGGUAJMCAUGDM-BBRMVZONSA-N 0 3 274.364 2.093 20 30 CEEDHN C=CCSCCNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000245967179 370894956 /nfs/dbraw/zinc/89/49/56/370894956.db2.gz NOBMTSLRVURAKX-UONOGXRCSA-N 0 3 297.468 2.031 20 30 CEEDHN CSCC[C@H](CO)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353270758 220000424 /nfs/dbraw/zinc/00/04/24/220000424.db2.gz WWPAHACSMMSOFS-HIFRSBDPSA-N 0 3 276.405 2.249 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000173206293 367884965 /nfs/dbraw/zinc/88/49/65/367884965.db2.gz ORDHFPMCNFPKJH-UONOGXRCSA-N 0 3 298.390 2.214 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@H]2C(C)C)CC1 ZINC000343689991 367955516 /nfs/dbraw/zinc/95/55/16/367955516.db2.gz HWTOMJSLGSDTNF-AWEZNQCLSA-N 0 3 265.401 2.077 20 30 CEEDHN CC#CCCCC(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000343854327 368042491 /nfs/dbraw/zinc/04/24/91/368042491.db2.gz JCINWCGRRNLWRY-HOTGVXAUSA-N 0 3 294.439 2.186 20 30 CEEDHN N#Cc1ccc(CNC2CCN(C(=O)c3ccoc3)CC2)o1 ZINC000174262453 368003289 /nfs/dbraw/zinc/00/32/89/368003289.db2.gz XANKSHCEEDSHJU-UHFFFAOYSA-N 0 3 299.330 2.139 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C)o2)CC1 ZINC000632986685 368019785 /nfs/dbraw/zinc/01/97/85/368019785.db2.gz GVSCHOPJUDNWJA-UHFFFAOYSA-N 0 3 291.395 2.428 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000343816252 368020367 /nfs/dbraw/zinc/02/03/67/368020367.db2.gz LFYLZBLEHARSTG-TZMCWYRMSA-N 0 3 250.386 2.141 20 30 CEEDHN CNC(=O)CC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000175035544 368092770 /nfs/dbraw/zinc/09/27/70/368092770.db2.gz HAGVYYUTHLFJNQ-CYBMUJFWSA-N 0 3 285.391 2.467 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000345166696 368177823 /nfs/dbraw/zinc/17/78/23/368177823.db2.gz SVEIPAXQJOVSHE-IUODEOHRSA-N 0 3 286.379 2.471 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000633594873 368315713 /nfs/dbraw/zinc/31/57/13/368315713.db2.gz XHGRNNGQHFUIAC-ZIAGYGMSSA-N 0 3 262.397 2.476 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000177539431 368270980 /nfs/dbraw/zinc/27/09/80/368270980.db2.gz FAWSYBIWXDAXEQ-YCPHGPKFSA-N 0 3 270.376 2.002 20 30 CEEDHN C=CCNC(=O)CN[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000180035221 368364801 /nfs/dbraw/zinc/36/48/01/368364801.db2.gz FUZKFAAALNHYOL-UONOGXRCSA-N 0 3 280.412 2.006 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CCCN1CCOC ZINC000180805699 368396941 /nfs/dbraw/zinc/39/69/41/368396941.db2.gz MZQYWZWVABATAC-CABCVRRESA-N 0 3 297.443 2.141 20 30 CEEDHN C[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)N(C)C1CC1 ZINC000180246689 368374995 /nfs/dbraw/zinc/37/49/95/368374995.db2.gz YZMBKHCVNFJDPL-CYBMUJFWSA-N 0 3 297.402 2.454 20 30 CEEDHN C=CCNC(=O)CN[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000181162717 368426927 /nfs/dbraw/zinc/42/69/27/368426927.db2.gz SKTJAPVRTDZVMQ-MLGOLLRUSA-N 0 3 258.365 2.120 20 30 CEEDHN C=C[C@H](CC(=O)NCCOCCN(C)C)c1ccccc1 ZINC000345964565 368500066 /nfs/dbraw/zinc/50/00/66/368500066.db2.gz RYPUZBSOEOAZQR-OAHLLOKOSA-N 0 3 290.407 2.041 20 30 CEEDHN CC[C@H](NCC(=O)Nc1cccc(C#N)c1)[C@H]1CCCO1 ZINC000182350930 368556376 /nfs/dbraw/zinc/55/63/76/368556376.db2.gz MNFDLQSENMBGED-LSDHHAIUSA-N 0 3 287.363 2.044 20 30 CEEDHN CCOC(=O)C[C@@H](C)N(C)Cc1ccc(F)c(C#N)c1 ZINC000182643993 368574941 /nfs/dbraw/zinc/57/49/41/368574941.db2.gz YWOOZOHNQSBYSA-LLVKDONJSA-N 0 3 278.327 2.471 20 30 CEEDHN CCN1C[C@H](C)N(CCOc2ccc(C#N)cc2)C[C@H]1C ZINC000346174659 368577908 /nfs/dbraw/zinc/57/79/08/368577908.db2.gz HIAQNENNDFUWKJ-CABCVRRESA-N 0 3 287.407 2.352 20 30 CEEDHN C=C(C)CN1CCC(N[C@H](C)c2nccn2C)CC1 ZINC000182870656 368596976 /nfs/dbraw/zinc/59/69/76/368596976.db2.gz LTOUPVFKDVKFHY-CYBMUJFWSA-N 0 3 262.401 2.111 20 30 CEEDHN CCN1C[C@@H](C)N(CCOc2cccc(C#N)c2)C[C@@H]1C ZINC000346179569 368580991 /nfs/dbraw/zinc/58/09/91/368580991.db2.gz XPJZBKWTJOHCHB-LSDHHAIUSA-N 0 3 287.407 2.352 20 30 CEEDHN C=CCN(Cc1ccc2oc(=O)n(C)c2c1)C1CC1 ZINC000639058799 370935197 /nfs/dbraw/zinc/93/51/97/370935197.db2.gz ICYOINDWUSYVFS-UHFFFAOYSA-N 0 3 258.321 2.282 20 30 CEEDHN C=CCC[C@H](O)CN[C@H](c1nnc2ccccn21)C(C)C ZINC000347682422 368816635 /nfs/dbraw/zinc/81/66/35/368816635.db2.gz XRNUAJKAFUWITF-ZFWWWQNUSA-N 0 3 288.395 2.343 20 30 CEEDHN N#Cc1ccc(CNC2CCC(O)(c3cccnc3)CC2)o1 ZINC000185695158 368845307 /nfs/dbraw/zinc/84/53/07/368845307.db2.gz LMRPOUKLMOXJDF-UHFFFAOYSA-N 0 3 297.358 2.466 20 30 CEEDHN C=CCOCCCN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000348046094 368872316 /nfs/dbraw/zinc/87/23/16/368872316.db2.gz DJZGHECDFLROQN-INIZCTEOSA-N 0 3 289.423 2.353 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000186685127 369019120 /nfs/dbraw/zinc/01/91/20/369019120.db2.gz CXANURLXCWXONO-VXGBXAGGSA-N 0 3 264.325 2.491 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000186685093 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375348233 /nfs/dbraw/zinc/34/82/33/375348233.db2.gz IWGNYOJLJQLBRD-QWHCGFSZSA-N 0 3 250.317 2.296 20 30 CEEDHN C=CCN1CC[C@H](N(C)CCCc2cccc(F)c2)C1=O ZINC000281407949 375378285 /nfs/dbraw/zinc/37/82/85/375378285.db2.gz QZHHGZJJDHZTQB-INIZCTEOSA-N 0 3 290.382 2.477 20 30 CEEDHN C[C@@H](NCC1([S@@](C)=O)CC1)c1cccc(C#N)c1 ZINC000282473269 375494157 /nfs/dbraw/zinc/49/41/57/375494157.db2.gz WKQJQKDAARJUID-ADLMAVQZSA-N 0 3 262.378 2.120 20 30 CEEDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc(C#N)n(C)c1 ZINC000282966694 375626383 /nfs/dbraw/zinc/62/63/83/375626383.db2.gz IIVAIKGEXMPCKM-UHFFFAOYSA-N 0 3 298.346 2.479 20 30 CEEDHN N#Cc1ccc(CNC2(CO)C3CC4CC(C3)CC2C4)o1 ZINC000414563815 375859395 /nfs/dbraw/zinc/85/93/95/375859395.db2.gz VGHQMDWEYFWXNS-UHFFFAOYSA-N 0 3 286.375 2.428 20 30 CEEDHN C=CCCN(C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415991202 376030822 /nfs/dbraw/zinc/03/08/22/376030822.db2.gz OVGOMIISCYLRAI-UHFFFAOYSA-N 0 3 275.352 2.208 20 30 CEEDHN Cc1nsc(N[C@@H]2CN(C(C)C)C[C@H]2C)c1C#N ZINC000287936310 376343783 /nfs/dbraw/zinc/34/37/83/376343783.db2.gz RGRMBTOELQTVLE-BXKDBHETSA-N 0 3 264.398 2.464 20 30 CEEDHN Cc1ccc(C#N)c(N[C@@H]2CN(C3CC3)C[C@@H]2C)n1 ZINC000287663689 376288059 /nfs/dbraw/zinc/28/80/59/376288059.db2.gz BOXNVLPEZFPXGU-IINYFYTJSA-N 0 3 256.353 2.156 20 30 CEEDHN C=C(CC)CN[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000419265764 376418495 /nfs/dbraw/zinc/41/84/95/376418495.db2.gz DZYIDVIKUVUMJD-ZDUSSCGKSA-N 0 3 279.384 2.458 20 30 CEEDHN COCC1(C#N)CCN(C[C@H](CC(C)C)OC)CC1 ZINC000419265104 376419914 /nfs/dbraw/zinc/41/99/14/376419914.db2.gz CZKZUGMEXBIHLW-AWEZNQCLSA-N 0 3 268.401 2.300 20 30 CEEDHN CCCN(CCN1CCCC1)Cc1ccc(C#N)o1 ZINC000289932840 376566700 /nfs/dbraw/zinc/56/67/00/376566700.db2.gz XZVBPUMAEQTMKV-UHFFFAOYSA-N 0 3 261.369 2.459 20 30 CEEDHN C[C@@H]1C[C@@H]1N1CCN(c2ccncc2C#N)C[C@@H](C)C1 ZINC000559019041 376658904 /nfs/dbraw/zinc/65/89/04/376658904.db2.gz HRJWVWQSEITRCB-IOASZLSFSA-N 0 3 270.380 2.120 20 30 CEEDHN C=C1CCN(C[C@H](O)COCc2ccccc2OC)CC1 ZINC000264568302 190119390 /nfs/dbraw/zinc/11/93/90/190119390.db2.gz UJZKRPFLNNHJKO-INIZCTEOSA-N 0 3 291.391 2.225 20 30 CEEDHN CCN(CCOc1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000311495355 376673202 /nfs/dbraw/zinc/67/32/02/376673202.db2.gz VNXOGDMSFKFOLE-CQSZACIVSA-N 0 3 260.337 2.048 20 30 CEEDHN C=CCOc1cccc(CN(C)CCOCCOC)c1 ZINC000290180491 376673971 /nfs/dbraw/zinc/67/39/71/376673971.db2.gz NRPFNLHBGFBZND-UHFFFAOYSA-N 0 3 279.380 2.346 20 30 CEEDHN CC(=O)N[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000420993987 376766202 /nfs/dbraw/zinc/76/62/02/376766202.db2.gz ZOLMMVAQMMIAJV-OAHLLOKOSA-N 0 3 285.391 2.198 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cnn(C(C)(C)C)c1 ZINC000320792226 376826924 /nfs/dbraw/zinc/82/69/24/376826924.db2.gz TZYAHHQBDJSXFU-ZDUSSCGKSA-N 0 3 251.374 2.055 20 30 CEEDHN COC[C@@H](NCc1ccc(C#N)s1)C1CCOCC1 ZINC000421889395 376847069 /nfs/dbraw/zinc/84/70/69/376847069.db2.gz UOIZWWDYUVROCD-CQSZACIVSA-N 0 3 280.393 2.151 20 30 CEEDHN CC(=O)Nc1ccn([C@H]2CCN(C[C@H]3CCCCO3)C2)n1 ZINC000328638854 376869663 /nfs/dbraw/zinc/86/96/63/376869663.db2.gz WPORQBPNXJMXLZ-UONOGXRCSA-N 0 3 292.383 2.307 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000290681078 376879878 /nfs/dbraw/zinc/87/98/78/376879878.db2.gz SIFKKVPVUKHHCQ-LBPRGKRZSA-N 0 3 288.351 2.244 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000328724494 376887671 /nfs/dbraw/zinc/88/76/71/376887671.db2.gz YOCBWLLJJOEGNG-TUAOUCFPSA-N 0 3 267.373 2.182 20 30 CEEDHN Cc1noc(C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000328740363 376889281 /nfs/dbraw/zinc/88/92/81/376889281.db2.gz IKKILZJVSXNOLJ-DGCLKSJQSA-N 0 3 260.341 2.250 20 30 CEEDHN N#C[C@H]1CC[C@@H](N2CCC(c3nnc4n3CCCC4)CC2)C1 ZINC000328832076 376905682 /nfs/dbraw/zinc/90/56/82/376905682.db2.gz LHGHTHBIZHZYGC-DZGCQCFKSA-N 0 3 299.422 2.486 20 30 CEEDHN CN1CCC[C@@H]1CNC(=O)Nc1scnc1C1CC1 ZINC000328934442 376923384 /nfs/dbraw/zinc/92/33/84/376923384.db2.gz QAKOXWHJPDQEET-SNVBAGLBSA-N 0 3 280.397 2.441 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000328940654 376925672 /nfs/dbraw/zinc/92/56/72/376925672.db2.gz SNJMACIVCLZQDV-LRHZJYQRSA-N 0 3 288.391 2.474 20 30 CEEDHN O=C(NCCN1CCCCC1)c1cc2[nH]cnc2cc1F ZINC000329382516 376958887 /nfs/dbraw/zinc/95/88/87/376958887.db2.gz ODOWTQJCAREINZ-UHFFFAOYSA-N 0 3 290.342 2.493 20 30 CEEDHN Cc1cccc2c1CC[C@H]2NC(=O)[C@H](N)CCCC#N ZINC000562965926 377038622 /nfs/dbraw/zinc/03/86/22/377038622.db2.gz NBNJNLPHPJLDNX-HUUCEWRRSA-N 0 3 271.364 2.120 20 30 CEEDHN COC(=O)[C@]1(C)CN(Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000330383196 377110744 /nfs/dbraw/zinc/11/07/44/377110744.db2.gz PQIMHUJYXUVRJW-CXAGYDPISA-N 0 3 286.375 2.498 20 30 CEEDHN C#Cc1ccc(CNCCc2nnc(C)s2)cc1 ZINC000291467059 377196849 /nfs/dbraw/zinc/19/68/49/377196849.db2.gz DLSGHQGTOQNZLY-UHFFFAOYSA-N 0 3 257.362 2.160 20 30 CEEDHN C#CCCN1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC000291932470 377217911 /nfs/dbraw/zinc/21/79/11/377217911.db2.gz SYLGMPQUSLTNRZ-KRWDZBQOSA-N 0 3 273.376 2.464 20 30 CEEDHN C#CCNC(=O)CCN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000292677705 377262496 /nfs/dbraw/zinc/26/24/96/377262496.db2.gz BPLJEHUZSCTYMH-MRXNPFEDSA-N 0 3 288.366 2.492 20 30 CEEDHN C#CCN(C)CCCNc1cc(C)nc(C2CC2)n1 ZINC000292707407 377264300 /nfs/dbraw/zinc/26/43/00/377264300.db2.gz GLLFITRQZULRJR-UHFFFAOYSA-N 0 3 258.369 2.029 20 30 CEEDHN C=CCC1(C(=O)NC[C@@H]2CCCCN2CC)CCOCC1 ZINC000424661222 377280681 /nfs/dbraw/zinc/28/06/81/377280681.db2.gz IAGSALBNKYIKLX-HNNXBMFYSA-N 0 3 294.439 2.350 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000424725815 377287426 /nfs/dbraw/zinc/28/74/26/377287426.db2.gz WBHHIIUAFQKOTC-CHWSQXEVSA-N 0 3 252.402 2.434 20 30 CEEDHN C[C@@]1(CO)CCC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000331147801 377304096 /nfs/dbraw/zinc/30/40/96/377304096.db2.gz HJWKTPVXMZVNQV-CABCVRRESA-N 0 3 262.328 2.338 20 30 CEEDHN C#CCN(C)CCCNc1nnc(C(C)(C)C)s1 ZINC000292837836 377307785 /nfs/dbraw/zinc/30/77/85/377307785.db2.gz QDZPFDURNQHSIC-UHFFFAOYSA-N 0 3 266.414 2.203 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)[C@@H]1CCCC[C@H]1O ZINC000426272252 377394328 /nfs/dbraw/zinc/39/43/28/377394328.db2.gz WCQKFZBURIHBFU-RRFJBIMHSA-N 0 3 282.428 2.035 20 30 CEEDHN C[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)N1CCC[C@H](C)C1 ZINC000425449898 377351060 /nfs/dbraw/zinc/35/10/60/377351060.db2.gz XHZJVTWINUHWLH-ZQDZILKHSA-N 0 3 292.427 2.098 20 30 CEEDHN C#CCOc1ccc(CNCc2ccc(N(C)C)nc2)cc1 ZINC000264970653 190148990 /nfs/dbraw/zinc/14/89/90/190148990.db2.gz QVYFWRZNIJFPNJ-UHFFFAOYSA-N 0 3 295.386 2.449 20 30 CEEDHN C[C@H]1COCCN1C1CCN(CC#Cc2ccccc2)CC1 ZINC000564583032 377411096 /nfs/dbraw/zinc/41/10/96/377411096.db2.gz DRHBHRWXMPLPHU-KRWDZBQOSA-N 0 3 298.430 2.223 20 30 CEEDHN CN(C)Cc1cccc(C(=O)N[C@@]2(C#N)CC2(C)C)c1 ZINC000427895682 377464080 /nfs/dbraw/zinc/46/40/80/377464080.db2.gz UFFSROMNUTUVTO-MRXNPFEDSA-N 0 3 271.364 2.170 20 30 CEEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ncncc2C#N)C1 ZINC000564892105 377491683 /nfs/dbraw/zinc/49/16/83/377491683.db2.gz GQYGPLDRKCHVMX-CZUORRHYSA-N 0 3 293.374 2.018 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000428623999 377498435 /nfs/dbraw/zinc/49/84/35/377498435.db2.gz IMWOMCRVNQPMHR-PHDIDXHHSA-N 0 3 277.271 2.499 20 30 CEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)NC(C)(C)CC ZINC000429711686 377519374 /nfs/dbraw/zinc/51/93/74/377519374.db2.gz AEXPYTCFVPKGEK-AWEZNQCLSA-N 0 3 283.460 2.119 20 30 CEEDHN COc1cc(C)c(CNCC2(CC#N)CC2)c(C)n1 ZINC000430054903 377526208 /nfs/dbraw/zinc/52/62/08/377526208.db2.gz BIPZHYIIDAXQNF-UHFFFAOYSA-N 0 3 259.353 2.491 20 30 CEEDHN C=CCOCCCN1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000430262521 377527425 /nfs/dbraw/zinc/52/74/25/377527425.db2.gz WECCQEXZMXYECN-HRCADAONSA-N 0 3 283.412 2.238 20 30 CEEDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)[C@H]1C ZINC000293399766 377551581 /nfs/dbraw/zinc/55/15/81/377551581.db2.gz LNRXCQLFTJRPHO-NEPJUHHUSA-N 0 3 257.337 2.227 20 30 CEEDHN C#CC(C)(C)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000265237995 190168684 /nfs/dbraw/zinc/16/86/84/190168684.db2.gz QRDPANDSOFXWLL-INIZCTEOSA-N 0 3 284.403 2.427 20 30 CEEDHN CCn1cc([C@@H](C)NC[C@@H](O)c2ccc(C#N)cc2)cn1 ZINC000295927476 249368895 /nfs/dbraw/zinc/36/88/95/249368895.db2.gz FTLVRRPBFPOCOT-MLGOLLRUSA-N 0 3 284.363 2.159 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H]2[C@H]2CCCOC2)nc1 ZINC000565370721 377653136 /nfs/dbraw/zinc/65/31/36/377653136.db2.gz KLJMRQCQJUXOBA-HOCLYGCPSA-N 0 3 271.364 2.344 20 30 CEEDHN N#CCCC[C@@H](NCCn1cncn1)c1ccccc1 ZINC000433011015 377778173 /nfs/dbraw/zinc/77/81/73/377778173.db2.gz MFGSCJFITKMLSD-OAHLLOKOSA-N 0 3 269.352 2.303 20 30 CEEDHN CN(C)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433016276 377778328 /nfs/dbraw/zinc/77/83/28/377778328.db2.gz PBXZWGFVXHIXEQ-AWEZNQCLSA-N 0 3 259.353 2.099 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)c1nccn1C ZINC000436296326 377822755 /nfs/dbraw/zinc/82/27/55/377822755.db2.gz RHAODVDLJUGBCA-MCIONIFRSA-N 0 3 263.385 2.442 20 30 CEEDHN CC(C)[C@@H]1CN(C)CCN1CC#Cc1ccc(F)cc1 ZINC000436481589 377825231 /nfs/dbraw/zinc/82/52/31/377825231.db2.gz CQPLNVSMKPVVNY-KRWDZBQOSA-N 0 3 274.383 2.449 20 30 CEEDHN CN(C(=O)[C@@H](C#N)CCc1ccccc1)[C@H]1CCCN(C)C1 ZINC000433365475 377791466 /nfs/dbraw/zinc/79/14/66/377791466.db2.gz PVYVKVVGBLNMTQ-SJORKVTESA-N 0 3 299.418 2.312 20 30 CEEDHN C=CCCCN(C)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433446721 377791767 /nfs/dbraw/zinc/79/17/67/377791767.db2.gz IHTFWFPZCQFNMG-OAHLLOKOSA-N 0 3 297.443 2.095 20 30 CEEDHN CC(C)C[C@@H](CO)NC(=O)C(C#N)CCc1ccccc1 ZINC000433378080 377792408 /nfs/dbraw/zinc/79/24/08/377792408.db2.gz YPENUKRHACEHCC-CVEARBPZSA-N 0 3 288.391 2.282 20 30 CEEDHN C=CCOc1ccccc1CN(C)CC1(CO)CC1 ZINC000438334424 377897321 /nfs/dbraw/zinc/89/73/21/377897321.db2.gz ZWOJBECFKWWPHR-UHFFFAOYSA-N 0 3 261.365 2.456 20 30 CEEDHN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)C(C)C#N ZINC000440039444 377929016 /nfs/dbraw/zinc/92/90/16/377929016.db2.gz XCYAUYFCQORZIP-BBRMVZONSA-N 0 3 274.364 2.336 20 30 CEEDHN CC[C@@H](CNC(=O)C(C)C#N)Oc1cccc(F)c1 ZINC000439895536 377929208 /nfs/dbraw/zinc/92/92/08/377929208.db2.gz ASGYJXOESILPLN-PWSUYJOCSA-N 0 3 264.300 2.259 20 30 CEEDHN N#C[C@@H]1CC[C@H](NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000442635414 377974614 /nfs/dbraw/zinc/97/46/14/377974614.db2.gz PPCVYOPNRWYZIK-FGTMMUONSA-N 0 3 299.418 2.169 20 30 CEEDHN C#CCN(C)CCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000294911389 378028113 /nfs/dbraw/zinc/02/81/13/378028113.db2.gz GGPSVNCCDQILGR-AWEZNQCLSA-N 0 3 260.381 2.306 20 30 CEEDHN C#CCN(C)CCCNc1ncnc(Cl)c1CC ZINC000294897794 378028410 /nfs/dbraw/zinc/02/84/10/378028410.db2.gz HWJKVTTYMQWPLD-UHFFFAOYSA-N 0 3 266.776 2.059 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](C(C)C)C1 ZINC000444771871 378080180 /nfs/dbraw/zinc/08/01/80/378080180.db2.gz LIWJQPHIEWGXIB-GJZGRUSLSA-N 0 3 279.428 2.363 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000295288977 378086119 /nfs/dbraw/zinc/08/61/19/378086119.db2.gz DOKDXGURXXXFSY-QWHCGFSZSA-N 0 3 270.376 2.353 20 30 CEEDHN Cn1ncc2c1CCC[C@@H]2N[C@H]1CCC[C@@H](C#N)C1 ZINC000447539647 378113319 /nfs/dbraw/zinc/11/33/19/378113319.db2.gz HMMXBXLIFUNOAZ-DYEKYZERSA-N 0 3 258.369 2.469 20 30 CEEDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)CC2 ZINC000346228648 217846091 /nfs/dbraw/zinc/84/60/91/217846091.db2.gz ZKEFBCQFCPVOPH-YGRLFVJLSA-N 0 3 299.353 2.263 20 30 CEEDHN CCCCN(C)CCNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000448963254 378194292 /nfs/dbraw/zinc/19/42/92/378194292.db2.gz VHSPWCFNLPKIHV-INIZCTEOSA-N 0 3 277.412 2.309 20 30 CEEDHN C[C@@H]1OCC[C@@]1(O)CN(CCCC#N)Cc1ccccc1 ZINC000447916836 378159736 /nfs/dbraw/zinc/15/97/36/378159736.db2.gz PUMYOWAFXOXGRF-DOTOQJQBSA-N 0 3 288.391 2.332 20 30 CEEDHN C=CCCCNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000447955508 378164609 /nfs/dbraw/zinc/16/46/09/378164609.db2.gz PLCSUMKUYIHFQO-ZDUSSCGKSA-N 0 3 253.390 2.126 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(CN(C)C)cc1 ZINC000448658204 378177925 /nfs/dbraw/zinc/17/79/25/378177925.db2.gz BDWWNYARUOESNX-CABCVRRESA-N 0 3 274.364 2.278 20 30 CEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cccc(CN(C)C)c1 ZINC000448686902 378179219 /nfs/dbraw/zinc/17/92/19/378179219.db2.gz NOPAQPVCPWKBCU-ABAIWWIYSA-N 0 3 257.337 2.236 20 30 CEEDHN C=CCC1(C(=O)NC[C@H]2CCCN2C)CCCC1 ZINC000449826175 378235521 /nfs/dbraw/zinc/23/55/21/378235521.db2.gz QWNACELJXGRAML-CYBMUJFWSA-N 0 3 250.386 2.333 20 30 CEEDHN C[C@@H](NCc1ccc(Cl)cc1C#N)[C@H](C)CO ZINC000295843502 378325848 /nfs/dbraw/zinc/32/58/48/378325848.db2.gz XBLMGORKGKHOPF-NXEZZACHSA-N 0 3 252.745 2.318 20 30 CEEDHN CO[C@@H]1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1(C)C ZINC000296202191 378450637 /nfs/dbraw/zinc/45/06/37/378450637.db2.gz WCHOMJDXLJXUNI-HZPDHXFCSA-N 0 3 288.391 2.339 20 30 CEEDHN C=CCC(C)(C)CNC(=O)Nc1ccnn1CCN(C)C ZINC000297362829 378683243 /nfs/dbraw/zinc/68/32/43/378683243.db2.gz KULVDRUXSPRLBU-UHFFFAOYSA-N 0 3 293.415 2.169 20 30 CEEDHN C[C@@H]1CCC(C)(C)N1CC(=O)NCc1ccc(C#N)cc1 ZINC000452016087 378726139 /nfs/dbraw/zinc/72/61/39/378726139.db2.gz WCTFBGULNOJISJ-CYBMUJFWSA-N 0 3 285.391 2.437 20 30 CEEDHN COC1([C@H](C)NCc2ccc(C#N)c(F)c2)CCOCC1 ZINC000453395569 378885130 /nfs/dbraw/zinc/88/51/30/378885130.db2.gz XJJHIJKESHPGSS-LBPRGKRZSA-N 0 3 292.354 2.371 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2ccc(C#N)cc21 ZINC000453366450 378876168 /nfs/dbraw/zinc/87/61/68/378876168.db2.gz RBGNBEKCGRJAEH-XHSDSOJGSA-N 0 3 254.333 2.479 20 30 CEEDHN C[C@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000299308410 378958468 /nfs/dbraw/zinc/95/84/68/378958468.db2.gz RNLCSXQWRHKPTL-AWEZNQCLSA-N 0 3 285.391 2.296 20 30 CEEDHN C=C1CCN(C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000497074172 379043517 /nfs/dbraw/zinc/04/35/17/379043517.db2.gz UDLFTCFAUHYYBN-MRXNPFEDSA-N 0 3 298.427 2.256 20 30 CEEDHN CC[C@H](N[C@@H](C)C(=O)N(C)CC)c1ccc(C#N)cc1 ZINC000278677894 194099106 /nfs/dbraw/zinc/09/91/06/194099106.db2.gz JPQJEZKNKRURQY-WFASDCNBSA-N 0 3 273.380 2.466 20 30 CEEDHN C[C@H](CNc1nccnc1C#N)N(C)Cc1ccccc1 ZINC000301224594 379223051 /nfs/dbraw/zinc/22/30/51/379223051.db2.gz AYHGESMSNVMFNZ-CYBMUJFWSA-N 0 3 281.363 2.281 20 30 CEEDHN CC(=O)NCC[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000347632489 218299681 /nfs/dbraw/zinc/29/96/81/218299681.db2.gz CRUPGHOICWXGSI-HNNXBMFYSA-N 0 3 285.391 2.296 20 30 CEEDHN C[C@H](CNc1cnc(C#N)cn1)N1CCCC[C@@H]1C ZINC000355331441 220267230 /nfs/dbraw/zinc/26/72/30/220267230.db2.gz FOKWXNABHHESBP-NWDGAFQWSA-N 0 3 259.357 2.023 20 30 CEEDHN C=CCC[C@H](N[C@@H]1CCC(=O)N(C)C1)c1ccco1 ZINC000279000325 194246364 /nfs/dbraw/zinc/24/63/64/194246364.db2.gz RESIXSDFEPSVRI-OLZOCXBDSA-N 0 3 262.353 2.497 20 30 CEEDHN Cc1noc(CCCNCc2ccc(C#N)s2)n1 ZINC000267170451 190308376 /nfs/dbraw/zinc/30/83/76/190308376.db2.gz IBDUXCLUJCTXFS-UHFFFAOYSA-N 0 3 262.338 2.034 20 30 CEEDHN CN(c1ccc(Cl)c(C#N)n1)[C@@H]1CCCN(C)C1 ZINC000267238087 190313998 /nfs/dbraw/zinc/31/39/98/190313998.db2.gz REZWMYOEEMXMJX-SNVBAGLBSA-N 0 3 264.760 2.137 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@H](C)[C@@H]1CO ZINC000305700296 379732994 /nfs/dbraw/zinc/73/29/94/379732994.db2.gz BIVXGCPGOYFEMM-WFASDCNBSA-N 0 3 274.364 2.160 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000527298980 379744844 /nfs/dbraw/zinc/74/48/44/379744844.db2.gz AWPRSCRKPHPVAC-IJEWVQPXSA-N 0 3 289.423 2.449 20 30 CEEDHN CCN(CC)CCSc1ncc([N+](=O)[O-])cc1C#N ZINC000267560492 190337945 /nfs/dbraw/zinc/33/79/45/190337945.db2.gz UQOBVXHLTRCUQH-UHFFFAOYSA-N 0 3 280.353 2.295 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2[C@H](C)[C@H]2C2CC2)CC1 ZINC000528451359 379974410 /nfs/dbraw/zinc/97/44/10/379974410.db2.gz XOWBHTFXWRCPBK-BYCMXARLSA-N 0 3 262.397 2.045 20 30 CEEDHN C#CCN(CC#C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000267681563 190347151 /nfs/dbraw/zinc/34/71/51/190347151.db2.gz PXWGUPCHZPNUIN-UHFFFAOYSA-N 0 3 294.398 2.381 20 30 CEEDHN C[C@@H]1CN(CCCCNc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000267954317 190364749 /nfs/dbraw/zinc/36/47/49/190364749.db2.gz QZUIOCAPGCRQKO-OKILXGFUSA-N 0 3 288.395 2.255 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H]1Cc2c1cccc2Cl ZINC000528919966 380135533 /nfs/dbraw/zinc/13/55/33/380135533.db2.gz NWINDSGEKGHXMH-RYUDHWBXSA-N 0 3 290.750 2.213 20 30 CEEDHN N#CCc1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000528783024 380094824 /nfs/dbraw/zinc/09/48/24/380094824.db2.gz KMWGDOXRBCBAJP-GQIGUUNPSA-N 0 3 288.416 2.238 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CCC[C@H]1CN(C)C ZINC000268140381 190380117 /nfs/dbraw/zinc/38/01/17/190380117.db2.gz CFQUHEPQWDLRPA-AWEZNQCLSA-N 0 3 250.386 2.307 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1NCc1ccc(C#N)s1 ZINC000268153586 190381870 /nfs/dbraw/zinc/38/18/70/190381870.db2.gz XJGXQWCLRVQNGO-IINYFYTJSA-N 0 3 261.394 2.192 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(F)cn1 ZINC000529554909 380179369 /nfs/dbraw/zinc/17/93/69/380179369.db2.gz GGIVZTPMIVUZRI-SMDDNHRTSA-N 0 3 250.317 2.292 20 30 CEEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)C1 ZINC000333941738 380186881 /nfs/dbraw/zinc/18/68/81/380186881.db2.gz PGUSZXRMDXDRII-CRNXPOROSA-N 0 3 283.375 2.288 20 30 CEEDHN Cn1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000334204783 380253585 /nfs/dbraw/zinc/25/35/85/380253585.db2.gz WQGWRCBAHTYGJR-MRXNPFEDSA-N 0 3 266.348 2.459 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC(C)(C)OC ZINC000532644889 380216284 /nfs/dbraw/zinc/21/62/84/380216284.db2.gz JJUYLKSTXLTHPV-ZDUSSCGKSA-N 0 3 270.417 2.156 20 30 CEEDHN C[C@H]1CCN(C)CCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000334345519 380277318 /nfs/dbraw/zinc/27/73/18/380277318.db2.gz USWZCZHJODCBJV-NSHDSACASA-N 0 3 290.342 2.255 20 30 CEEDHN Cn1c(C(=O)C(C#N)c2ccncn2)cc2ccccc21 ZINC000544814636 380364184 /nfs/dbraw/zinc/36/41/84/380364184.db2.gz FGEVZQVCCFXCJF-GFCCVEGCSA-N 0 3 276.299 2.458 20 30 CEEDHN CC1CC(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000545940910 380398895 /nfs/dbraw/zinc/39/88/95/380398895.db2.gz PZGHRDFBHMXFOV-PXCJXSSVSA-N 0 3 283.375 2.442 20 30 CEEDHN CN(C)CC1(NC(=O)c2ccc(C#N)c(Cl)c2)CCC1 ZINC000545959691 380400411 /nfs/dbraw/zinc/40/04/11/380400411.db2.gz KGVRQWQYKJNEAU-UHFFFAOYSA-N 0 3 291.782 2.426 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2[C@H](C)C[C@@H]2C)CC1 ZINC000334547899 380572241 /nfs/dbraw/zinc/57/22/41/380572241.db2.gz WPOKQGOYVPCYJA-BETUJISGSA-N 0 3 265.401 2.219 20 30 CEEDHN Cc1cc(C#N)cnc1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000550775891 380628742 /nfs/dbraw/zinc/62/87/42/380628742.db2.gz STLXZNWVZVVNOP-CQSZACIVSA-N 0 3 298.390 2.008 20 30 CEEDHN CN(CC(=O)NC1(C#N)CCC1)[C@H]1CCC(C)(C)C1 ZINC000553896120 380751332 /nfs/dbraw/zinc/75/13/32/380751332.db2.gz NFMQWSLPJAZZSC-LBPRGKRZSA-N 0 3 263.385 2.059 20 30 CEEDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccccc3C#N)[C@@H]2C1 ZINC000554730184 380792482 /nfs/dbraw/zinc/79/24/82/380792482.db2.gz NNNLKKBDGFMYBN-RCCFBDPRSA-N 0 3 297.402 2.295 20 30 CEEDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccccc3C#N)[C@H]2C1 ZINC000554730177 380792586 /nfs/dbraw/zinc/79/25/86/380792586.db2.gz NNNLKKBDGFMYBN-BZSNNMDCSA-N 0 3 297.402 2.295 20 30 CEEDHN CC#CCN1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000493949654 381150771 /nfs/dbraw/zinc/15/07/71/381150771.db2.gz SCBZVKVVVGJXDF-OLZOCXBDSA-N 0 3 266.385 2.245 20 30 CEEDHN C[C@H](CNCc1ccc(C#N)o1)CNC(=O)OC(C)(C)C ZINC000494420310 381155703 /nfs/dbraw/zinc/15/57/03/381155703.db2.gz 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/nfs/dbraw/zinc/23/89/41/381238941.db2.gz SBBUPGSJHNHGPR-LBPRGKRZSA-N 0 3 267.373 2.137 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N2C[C@H](C)NC[C@H]2C)c1 ZINC000334856256 207194789 /nfs/dbraw/zinc/19/47/89/207194789.db2.gz NDVWXSFSRLNAAN-NWDGAFQWSA-N 0 3 272.352 2.081 20 30 CEEDHN COc1ccccc1[C@@H]1CCN(C(=O)C(C)C#N)C1 ZINC000336002436 532987407 /nfs/dbraw/zinc/98/74/07/532987407.db2.gz WXTVGLGSCJFGGL-NWDGAFQWSA-N 0 3 258.321 2.171 20 30 CEEDHN C[C@@H](NCC1(S(C)(=O)=O)CCC1)c1cccc(C#N)c1 ZINC000280907084 195023414 /nfs/dbraw/zinc/02/34/14/195023414.db2.gz GEMDSDISHRCNAC-GFCCVEGCSA-N 0 3 292.404 2.176 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccn(C)c2C)CC1 ZINC000195246915 542365207 /nfs/dbraw/zinc/36/52/07/542365207.db2.gz ONUZGSVZRLXUFV-UHFFFAOYSA-N 0 3 275.396 2.104 20 30 CEEDHN CC1(F)CC(NCc2cnc3ccc(C#N)cn23)C1 ZINC000335375422 208309672 /nfs/dbraw/zinc/30/96/72/208309672.db2.gz HWBUOTXSULZIRJ-UHFFFAOYSA-N 0 3 258.300 2.186 20 30 CEEDHN C[C@H]1C[C@@H](CO)CCN1CCOc1ccc(C#N)cc1 ZINC000289062837 197225439 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/nfs/dbraw/zinc/48/30/27/394483027.db2.gz FZQKZOWGAWQQLV-HNNXBMFYSA-N 0 3 261.344 2.223 20 30 CEEDHN C[C@@H]1C[C@H](N(C)c2ncc(C#N)cc2F)CCN1C ZINC000413158563 394495169 /nfs/dbraw/zinc/49/51/69/394495169.db2.gz JSHRRADCJRAKOL-ZYHUDNBSSA-N 0 3 262.332 2.011 20 30 CEEDHN C[C@@H](O)[C@@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000305156466 394495938 /nfs/dbraw/zinc/49/59/38/394495938.db2.gz CPUVSOKMBMZCKT-UKRRQHHQSA-N 0 3 274.364 2.030 20 30 CEEDHN CN(C)C[C@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 ZINC000356216104 394563468 /nfs/dbraw/zinc/56/34/68/394563468.db2.gz JOFZXVCKHDVSKF-MRXNPFEDSA-N 0 3 285.391 2.043 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000329906607 394593179 /nfs/dbraw/zinc/59/31/79/394593179.db2.gz KFRFXVCMMLSBJS-BRWVUGGUSA-N 0 3 293.370 2.499 20 30 CEEDHN O=C(NCCc1csc(=O)[nH]1)[C@@H](C1CC1)N1CCCC1 ZINC000329513435 394568978 /nfs/dbraw/zinc/56/89/78/394568978.db2.gz NVELPMHNKLECEH-GFCCVEGCSA-N 0 3 295.408 2.222 20 30 CEEDHN O=C(N[C@H]1CC12CCCCC2)N[C@@H]1CCc2[nH]cnc2C1 ZINC000329620308 394577539 /nfs/dbraw/zinc/57/75/39/394577539.db2.gz REFSAPIRRUIIOA-RISCZKNCSA-N 0 3 288.395 2.493 20 30 CEEDHN O=C(N[C@H]1CC12CCCCC2)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329620308 394577544 /nfs/dbraw/zinc/57/75/44/394577544.db2.gz REFSAPIRRUIIOA-RISCZKNCSA-N 0 3 288.395 2.493 20 30 CEEDHN CC(C)[NH+]1CCC(NC(=O)c2csc(=O)[n-]2)CC1 ZINC000329908575 394594080 /nfs/dbraw/zinc/59/40/80/394594080.db2.gz LUQAMWWUYWQLGH-UHFFFAOYSA-N 0 3 269.370 2.026 20 30 CEEDHN Cc1cnc(NC(=O)N2CCC[C@H]2CN2CCCC2)o1 ZINC000330003789 394599146 /nfs/dbraw/zinc/59/91/46/394599146.db2.gz AOHRAOKACBXRSE-LBPRGKRZSA-N 0 3 278.356 2.089 20 30 CEEDHN C=CCNC(=O)CN1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000076387610 394617465 /nfs/dbraw/zinc/61/74/65/394617465.db2.gz MRPDFHHJTSYRAN-LSDHHAIUSA-N 0 3 272.392 2.475 20 30 CEEDHN C[C@H](NCc1ccc(C#N)s1)C(C)(C)n1cncn1 ZINC000421866702 394621390 /nfs/dbraw/zinc/62/13/90/394621390.db2.gz BLFFYBSLIICMLW-JTQLQIEISA-N 0 3 275.381 2.125 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@H]2CCCO2)CC1 ZINC000330655520 394624258 /nfs/dbraw/zinc/62/42/58/394624258.db2.gz NYRVXCFBPPRDFV-HIFRSBDPSA-N 0 3 295.427 2.098 20 30 CEEDHN CC(C)N1CCCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000270294899 394729922 /nfs/dbraw/zinc/72/99/22/394729922.db2.gz MLJZMXACLFQMPD-UHFFFAOYSA-N 0 3 285.391 2.309 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCN(C)[C@H](C)[C@@H]1C ZINC000357011756 394681363 /nfs/dbraw/zinc/68/13/63/394681363.db2.gz YHWJZNIAASVASU-OLZOCXBDSA-N 0 3 273.380 2.091 20 30 CEEDHN N#CCSCCCN1CCc2ccccc2[C@H]1CO ZINC000268519657 394696193 /nfs/dbraw/zinc/69/61/93/394696193.db2.gz ZQOLPJBAEAAFHJ-OAHLLOKOSA-N 0 3 276.405 2.225 20 30 CEEDHN C=CCOc1cccc(CNCCCS(=O)(=O)CC)c1 ZINC000414544192 394747181 /nfs/dbraw/zinc/74/71/81/394747181.db2.gz OOTRFRSFWUVIHE-UHFFFAOYSA-N 0 3 297.420 2.166 20 30 CEEDHN C=CC1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000335240360 394751668 /nfs/dbraw/zinc/75/16/68/394751668.db2.gz MMOKTEQEAMYJBM-CYBMUJFWSA-N 0 3 277.412 2.244 20 30 CEEDHN CN1CC[C@H]2CCN(c3ccc(Cl)c(C#N)n3)[C@H]2C1 ZINC000272168119 394767861 /nfs/dbraw/zinc/76/78/61/394767861.db2.gz HIFYIRITUKJOJP-GWCFXTLKSA-N 0 3 276.771 2.137 20 30 CEEDHN C[C@@H](C#N)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000360086694 394789068 /nfs/dbraw/zinc/78/90/68/394789068.db2.gz ZNIRIAPPTQMXBT-LBPRGKRZSA-N 0 3 293.798 2.390 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCN1CCCC1=O ZINC000122866476 394819635 /nfs/dbraw/zinc/81/96/35/394819635.db2.gz VKFPCMRGRVAVNE-CYBMUJFWSA-N 0 3 271.364 2.173 20 30 CEEDHN C=C(C)CN1CCCN(Cc2noc(C(C)C)n2)CC1 ZINC000363488931 394877968 /nfs/dbraw/zinc/87/79/68/394877968.db2.gz JRWPLXREKMYRRV-UHFFFAOYSA-N 0 3 278.400 2.277 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(CC#N)cc3)C[C@H]21 ZINC000362011544 394841740 /nfs/dbraw/zinc/84/17/40/394841740.db2.gz RQXNPIVTCRJSNS-GDBMZVCRSA-N 0 3 298.390 2.311 20 30 CEEDHN CCCN(CCCCC(C)(C)C#N)[C@@H]1CC(=O)N(C)C1=O ZINC000338333004 394914263 /nfs/dbraw/zinc/91/42/63/394914263.db2.gz OKSUAEBLMYPFRF-CYBMUJFWSA-N 0 3 293.411 2.176 20 30 CEEDHN COCCCOC1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000339005554 394936735 /nfs/dbraw/zinc/93/67/35/394936735.db2.gz UWXCOQGBEFXRQF-KBPBESRZSA-N 0 3 266.385 2.196 20 30 CEEDHN C=C(C)CN(C)C[C@H](O)COc1ccc(CCOC)cc1 ZINC000339078002 394940349 /nfs/dbraw/zinc/94/03/49/394940349.db2.gz CEQSJFOSFWDQMA-INIZCTEOSA-N 0 3 293.407 2.123 20 30 CEEDHN C#CCCCC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000284353851 394943353 /nfs/dbraw/zinc/94/33/53/394943353.db2.gz NLFPKXOHIVHCQK-INIZCTEOSA-N 0 3 288.391 2.218 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)OCC ZINC000339355928 394956658 /nfs/dbraw/zinc/95/66/58/394956658.db2.gz GVZYGYSVAYVIIL-KKUMJFAQSA-N 0 3 282.428 2.299 20 30 CEEDHN CS(=O)(=O)C1(CNCc2ccc(C#N)cc2)CCCC1 ZINC000285426976 394956650 /nfs/dbraw/zinc/95/66/50/394956650.db2.gz HACOOBLCXMWWRV-UHFFFAOYSA-N 0 3 292.404 2.005 20 30 CEEDHN CCNC(=O)C[C@H]1CCCCN1CC#Cc1ccccc1 ZINC000284842789 394949940 /nfs/dbraw/zinc/94/99/40/394949940.db2.gz RCARWLFRRMOFJP-QGZVFWFLSA-N 0 3 284.403 2.419 20 30 CEEDHN N#Cc1ccc(CN2CCN(CCCCF)CC2)cc1 ZINC000285914287 394983730 /nfs/dbraw/zinc/98/37/30/394983730.db2.gz HONQWUSYKBGDII-UHFFFAOYSA-N 0 3 275.371 2.426 20 30 CEEDHN C=CC[C@@H](C)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415970552 394988578 /nfs/dbraw/zinc/98/85/78/394988578.db2.gz IKDOUXJUYMMYAD-LLVKDONJSA-N 0 3 275.352 2.255 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000342964270 395028100 /nfs/dbraw/zinc/02/81/00/395028100.db2.gz IMCGHGCDIAFERM-UKRRQHHQSA-N 0 3 299.484 2.468 20 30 CEEDHN C=CCCOCCCCC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000342982861 395028550 /nfs/dbraw/zinc/02/85/50/395028550.db2.gz ZRAVOFVUBJBFKA-HOCLYGCPSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)NC1CCN(C)CC1 ZINC000286785554 395028852 /nfs/dbraw/zinc/02/88/52/395028852.db2.gz URIDWUOGAFEASX-QGZVFWFLSA-N 0 3 299.418 2.014 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000286213121 395017161 /nfs/dbraw/zinc/01/71/61/395017161.db2.gz YJSACLHEQQZLOB-VKJFTORMSA-N 0 3 299.418 2.414 20 30 CEEDHN CNC(=O)CC[C@H]1CCCCN1Cc1ccccc1C#N ZINC000286317528 395019228 /nfs/dbraw/zinc/01/92/28/395019228.db2.gz FEYDJTGOAUTQME-MRXNPFEDSA-N 0 3 285.391 2.439 20 30 CEEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1ccccc1C#N ZINC000286554517 395023813 /nfs/dbraw/zinc/02/38/13/395023813.db2.gz OSVYINHKXBSKPB-DMRKSPOLSA-N 0 3 268.360 2.413 20 30 CEEDHN CN(C)[C@H](CC(=O)N[C@H](C#N)C1CC1)c1ccccc1 ZINC000416162241 395024918 /nfs/dbraw/zinc/02/49/18/395024918.db2.gz UKUSXEJSGBSKFR-HUUCEWRRSA-N 0 3 271.364 2.098 20 30 CEEDHN C=CCCOCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000342868836 395025458 /nfs/dbraw/zinc/02/54/58/395025458.db2.gz JYJWXTPQWLHJAU-CVEARBPZSA-N 0 3 294.439 2.445 20 30 CEEDHN C=CCC[C@H](NCCS(=O)(=O)N(C)C)c1ccccc1 ZINC000285558556 394959802 /nfs/dbraw/zinc/95/98/02/394959802.db2.gz IXMXFIQISYTIQS-HNNXBMFYSA-N 0 3 296.436 2.175 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000339530965 394963626 /nfs/dbraw/zinc/96/36/26/394963626.db2.gz PTMRULIJVSCKCO-STQMWFEESA-N 0 3 282.347 2.268 20 30 CEEDHN C#Cc1ccccc1CC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000290348909 395099720 /nfs/dbraw/zinc/09/97/20/395099720.db2.gz JCAZQYOPAJXUAU-KRWDZBQOSA-N 0 3 286.419 2.303 20 30 CEEDHN C#CCN1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000373816659 395065906 /nfs/dbraw/zinc/06/59/06/395065906.db2.gz UVPVCXMPLBYSOU-RHSMWYFYSA-N 0 3 294.358 2.118 20 30 CEEDHN C[C@@H]1CN(CCCCC#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373968597 395069233 /nfs/dbraw/zinc/06/92/33/395069233.db2.gz LSWDJNDSIAQHEW-RBSFLKMASA-N 0 3 266.385 2.339 20 30 CEEDHN C#C[C@@H](C)N[C@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000289079086 395070519 /nfs/dbraw/zinc/07/05/19/395070519.db2.gz ASBSNAYVKNKKAK-VXGBXAGGSA-N 0 3 290.363 2.032 20 30 CEEDHN Cc1ccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1C#N ZINC000374117584 395073757 /nfs/dbraw/zinc/07/37/57/395073757.db2.gz COBLTCORVWJYIK-WBVHZDCISA-N 0 3 297.402 2.423 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](N)CC(F)F ZINC000345722126 395074371 /nfs/dbraw/zinc/07/43/71/395074371.db2.gz WFYHCJOUHGLSBU-CYBMUJFWSA-N 0 3 298.333 2.192 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](N)CC(F)F ZINC000345767994 395076400 /nfs/dbraw/zinc/07/64/00/395076400.db2.gz WOUYSFNKKWDYRP-JTQLQIEISA-N 0 3 274.336 2.245 20 30 CEEDHN C=C[C@@H](CO)N[C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000289705616 395083747 /nfs/dbraw/zinc/08/37/47/395083747.db2.gz IWRONXHYGLJHAN-KGLIPLIRSA-N 0 3 276.380 2.157 20 30 CEEDHN C=C[C@@H](CO)NCc1cccc(Br)c1 ZINC000289798989 395088028 /nfs/dbraw/zinc/08/80/28/395088028.db2.gz KSKSKNVTAMDYRA-NSHDSACASA-N 0 3 256.143 2.086 20 30 CEEDHN C=C[C@H](CO)N[C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000289870760 395089640 /nfs/dbraw/zinc/08/96/40/395089640.db2.gz RLTIOTXQDINQDK-UHOFOFEASA-N 0 3 289.375 2.305 20 30 CEEDHN C=CCOc1ccccc1CN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000346322696 395095145 /nfs/dbraw/zinc/09/51/45/395095145.db2.gz SYYYMOXSUSBGGR-CWRNSKLLSA-N 0 3 273.376 2.454 20 30 CEEDHN C=CCOc1cccc(CN2C[C@H](O)C3(CC3)C2)c1 ZINC000372360890 395040792 /nfs/dbraw/zinc/04/07/92/395040792.db2.gz XQFFSNQWSFMUAS-HNNXBMFYSA-N 0 3 259.349 2.208 20 30 CEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1c(C#N)cccc1C#N ZINC000376205726 395113280 /nfs/dbraw/zinc/11/32/80/395113280.db2.gz SHZYWOQHIFZPCS-CZUORRHYSA-N 0 3 280.375 2.493 20 30 CEEDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(CC#N)cc1)C2 ZINC000174765197 395129093 /nfs/dbraw/zinc/12/90/93/395129093.db2.gz FJBOEJZKJBLGGN-JKSUJKDBSA-N 0 3 298.390 2.453 20 30 CEEDHN C#CCCCC[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000290520098 395106751 /nfs/dbraw/zinc/10/67/51/395106751.db2.gz YWUDCISODOECNC-CQSZACIVSA-N 0 3 254.337 2.287 20 30 CEEDHN C[C@H](NCCCC#N)c1cccc(NS(C)(=O)=O)c1 ZINC000346830090 395109412 /nfs/dbraw/zinc/10/94/12/395109412.db2.gz KOKAXXUCXVMIMK-NSHDSACASA-N 0 3 281.381 2.012 20 30 CEEDHN C[C@@H](CNC(=O)c1ccc(C#N)o1)N1CCC[C@H](C)C1 ZINC000429829218 395158816 /nfs/dbraw/zinc/15/88/16/395158816.db2.gz HENTUYPQDISCAW-RYUDHWBXSA-N 0 3 275.352 2.001 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@H](C)[C@@H](O)C2)cc1 ZINC000349364931 395167419 /nfs/dbraw/zinc/16/74/19/395167419.db2.gz HGMCBRNDPVGAER-BBRMVZONSA-N 0 3 261.365 2.454 20 30 CEEDHN CNC(=O)C1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000178511773 395168760 /nfs/dbraw/zinc/16/87/60/395168760.db2.gz UHQUHLIJFYRAGO-UHFFFAOYSA-N 0 3 299.418 2.446 20 30 CEEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cnc2c(C#N)cnn2c1 ZINC000514862969 395171818 /nfs/dbraw/zinc/17/18/18/395171818.db2.gz KXWYDIKKSUBJSQ-GRYCIOLGSA-N 0 3 269.352 2.077 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@H]1O ZINC000351807082 395233720 /nfs/dbraw/zinc/23/37/20/395233720.db2.gz GSOQBSLMVATYJV-SWLSCSKDSA-N 0 3 258.365 2.300 20 30 CEEDHN C=CCN(CC(=O)NC(=O)NCCC)CC1CCCCC1 ZINC000351826140 395236692 /nfs/dbraw/zinc/23/66/92/395236692.db2.gz BAVPTJATQOCIAR-UHFFFAOYSA-N 0 3 295.427 2.291 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N(CCC)CCN(C)C ZINC000352444634 395254149 /nfs/dbraw/zinc/25/41/49/395254149.db2.gz FKHDOOOZHKQUDA-OAHLLOKOSA-N 0 3 270.417 2.015 20 30 CEEDHN Cc1c(C#N)c(NCC2(N(C)C)CC2)nc2ccccc12 ZINC000419008597 395246808 /nfs/dbraw/zinc/24/68/08/395246808.db2.gz LRWGJUKTJCINGE-UHFFFAOYSA-N 0 3 280.375 2.343 20 30 CEEDHN N#Cc1ccccc1N1CCN(CC[C@H]2CCOC2)CC1 ZINC000437582395 395187779 /nfs/dbraw/zinc/18/77/79/395187779.db2.gz YIFTXLNNOQOPCP-HNNXBMFYSA-N 0 3 285.391 2.107 20 30 CEEDHN C=CCOCC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000354310796 395324956 /nfs/dbraw/zinc/32/49/56/395324956.db2.gz GNDFRSSTKPODKA-INIZCTEOSA-N 0 3 290.407 2.171 20 30 CEEDHN C=CCOc1ccccc1CNCCC1(O)CCOCC1 ZINC000353036160 395284906 /nfs/dbraw/zinc/28/49/06/395284906.db2.gz GBDNVTBMTDSBHS-UHFFFAOYSA-N 0 3 291.391 2.273 20 30 CEEDHN CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000188474836 395316229 /nfs/dbraw/zinc/31/62/29/395316229.db2.gz UWYCQNPBLQSJMU-STQMWFEESA-N 0 3 289.379 2.106 20 30 CEEDHN CCN1CC[C@@H]2OCCN(CC(C)(C)CCC#N)[C@H]2C1 ZINC000354130304 395317542 /nfs/dbraw/zinc/31/75/42/395317542.db2.gz JHUTYQCMOJNBBJ-GJZGRUSLSA-N 0 3 279.428 2.111 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc(OC)c(OCC(C)C)c1 ZINC000352465313 395256990 /nfs/dbraw/zinc/25/69/90/395256990.db2.gz HMRRXDZQPSQLMN-AWEZNQCLSA-N 0 3 279.380 2.367 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000184292287 395272584 /nfs/dbraw/zinc/27/25/84/395272584.db2.gz AIFXSXDGANLQDG-UHFFFAOYSA-N 0 3 290.342 2.255 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCSC2)CC1 ZINC000352917224 395277086 /nfs/dbraw/zinc/27/70/86/395277086.db2.gz UYLMELRHDCZXPQ-CYBMUJFWSA-N 0 3 297.468 2.079 20 30 CEEDHN C#CCN(C)CCC(=O)Nc1cccc(Cl)c1 ZINC000192228218 395376949 /nfs/dbraw/zinc/37/69/49/395376949.db2.gz MEHFWHQCCRXKMY-UHFFFAOYSA-N 0 3 250.729 2.234 20 30 CEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)OC(C)(C)C ZINC000411648203 395333892 /nfs/dbraw/zinc/33/38/92/395333892.db2.gz ZUFDUUNBNDQGRE-ZDUSSCGKSA-N 0 3 270.417 2.156 20 30 CEEDHN N#C[C@H]1CC[C@H](NCCn2c3ccccc3[nH]c2=O)C1 ZINC000442856807 395396366 /nfs/dbraw/zinc/39/63/66/395396366.db2.gz ZHGLXSDLSLAFLN-RYUDHWBXSA-N 0 3 270.336 2.024 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1cc(OC)cc(C)n1 ZINC000411641954 395334174 /nfs/dbraw/zinc/33/41/74/395334174.db2.gz MNGBBXOBWSUBAX-UHFFFAOYSA-N 0 3 277.412 2.338 20 30 CEEDHN C=CCN(C)CCN(CC)CC#Cc1ccccc1 ZINC000411640941 395334577 /nfs/dbraw/zinc/33/45/77/395334577.db2.gz FWVRTTPVCFMUAM-UHFFFAOYSA-N 0 3 256.393 2.478 20 30 CEEDHN C=CCNC(=O)[C@H](C)N(CCC)CCN1CCCCCC1 ZINC000411733136 395337075 /nfs/dbraw/zinc/33/70/75/395337075.db2.gz FMCVYINCWMAUGG-INIZCTEOSA-N 0 3 295.471 2.265 20 30 CEEDHN COc1cc(CNCCNc2cccc(C)n2)ccc1C#N ZINC000440626898 395337393 /nfs/dbraw/zinc/33/73/93/395337393.db2.gz OSOGJSKQRRQVPR-UHFFFAOYSA-N 0 3 296.374 2.472 20 30 CEEDHN C[C@@H](CCC#N)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000411777083 395339454 /nfs/dbraw/zinc/33/94/54/395339454.db2.gz ZTZLSWIKHOXPGN-STQMWFEESA-N 0 3 265.401 2.292 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000435003632 395342684 /nfs/dbraw/zinc/34/26/84/395342684.db2.gz FJTCDKOAGRWZRV-MRXNPFEDSA-N 0 3 297.402 2.190 20 30 CEEDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)c1cccc(C#N)c1 ZINC000354981817 395352944 /nfs/dbraw/zinc/35/29/44/395352944.db2.gz LHAWWBYFMNYCSP-UHOFOFEASA-N 0 3 274.364 2.403 20 30 CEEDHN N#Cc1cc(C(=O)N2CCC[C@H]2CN2CCCCC2)ccn1 ZINC000193123797 395403125 /nfs/dbraw/zinc/40/31/25/395403125.db2.gz DRKWNTZSAVRLIA-INIZCTEOSA-N 0 3 298.390 2.044 20 30 CEEDHN CC[C@H]1[C@@H](C)CCN1Cc1cnc2c(C#N)cnn2c1 ZINC000567888794 395539352 /nfs/dbraw/zinc/53/93/52/395539352.db2.gz RLFDFIWZCPCUSS-FZMZJTMJSA-N 0 3 269.352 2.221 20 30 CEEDHN C[C@@H](CO)[C@H](C)NCc1ccc(C#N)cc1OC(F)F ZINC000450732024 395575232 /nfs/dbraw/zinc/57/52/32/395575232.db2.gz CPVNKYUNKHZQMV-UWVGGRQHSA-N 0 3 284.306 2.266 20 30 CEEDHN C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@H](C)N1CCO ZINC000450791223 395577563 /nfs/dbraw/zinc/57/75/63/395577563.db2.gz HXQXWMKYRNTUJS-TXEJJXNPSA-N 0 3 293.798 2.103 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cccc(C)c1 ZINC000570772503 395583383 /nfs/dbraw/zinc/58/33/83/395583383.db2.gz FASPECSRALSKGA-CABCVRRESA-N 0 3 274.364 2.257 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H]1C[C@@H](OC)C1(C)C ZINC000451510186 395621902 /nfs/dbraw/zinc/62/19/02/395621902.db2.gz VFTRKDDRVQRQLP-HUUCEWRRSA-N 0 3 274.364 2.470 20 30 CEEDHN N#Cc1cccc(CN2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1F ZINC000595635931 395666412 /nfs/dbraw/zinc/66/64/12/395666412.db2.gz OUVXJJRYVUXOEN-VHDGCEQUSA-N 0 3 274.339 2.290 20 30 CEEDHN CCc1nc(C#N)cc(NCCN2[C@H](C)CCC[C@@H]2C)n1 ZINC000596120076 395666516 /nfs/dbraw/zinc/66/65/16/395666516.db2.gz HHFAQPPVOLVUFJ-BETUJISGSA-N 0 3 287.411 2.007 20 30 CEEDHN N#Cc1ccc(OCCN2CC3(CCC3)[C@@H]3COC[C@H]32)cc1 ZINC000459743033 395666711 /nfs/dbraw/zinc/66/67/11/395666711.db2.gz ZFNLELVKWNLOTK-IAGOWNOFSA-N 0 3 298.386 2.438 20 30 CEEDHN CC(C)[C@H]1CN(c2cccc(F)c2C#N)CCN1C ZINC000487069290 395667018 /nfs/dbraw/zinc/66/70/18/395667018.db2.gz KBSYKNYMPXHHOZ-OAHLLOKOSA-N 0 3 261.344 2.474 20 30 CEEDHN CC(C)[C@H]1CN(CCOc2ccccc2C#N)CCN1C ZINC000488072232 395667967 /nfs/dbraw/zinc/66/79/67/395667967.db2.gz JRUZSCDDFIMDAP-MRXNPFEDSA-N 0 3 287.407 2.209 20 30 CEEDHN CCN1CCC[C@H](NC(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000491545692 395670055 /nfs/dbraw/zinc/67/00/55/395670055.db2.gz JBALQPNPRZECGM-YDZSZYSISA-N 0 3 283.375 2.172 20 30 CEEDHN C#CCN(C)CCCN[C@H](C)c1ccc(C#N)cc1F ZINC000491741050 395670665 /nfs/dbraw/zinc/67/06/65/395670665.db2.gz VKKXXNURSRWYFV-CYBMUJFWSA-N 0 3 273.355 2.303 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)/C=C\c2cccc(C#N)c2)CCN1C ZINC000491937876 395670862 /nfs/dbraw/zinc/67/08/62/395670862.db2.gz KKLKROSZLQNJRR-NYGHPLDOSA-N 0 3 283.375 2.170 20 30 CEEDHN C=C(C)[C@@H](CO)N1CC[C@@H](c2ccccc2OC)C1 ZINC000649319493 396120576 /nfs/dbraw/zinc/12/05/76/396120576.db2.gz LGKNZJHSEJPXSB-UKRRQHHQSA-N 0 3 261.365 2.422 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(C)C[C@H]1Cc1ccccc1 ZINC000649829358 396270155 /nfs/dbraw/zinc/27/01/55/396270155.db2.gz HHAUMBMKICJLCQ-MSOLQXFVSA-N 0 3 288.435 2.172 20 30 CEEDHN C=C[C@H](O)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000646653593 396365674 /nfs/dbraw/zinc/36/56/74/396365674.db2.gz NBJHCZWPJRULIX-AWEZNQCLSA-N 0 3 262.353 2.014 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@H](CO)C[C@H](C)C1 ZINC000420954657 400571419 /nfs/dbraw/zinc/57/14/19/400571419.db2.gz ZQDHKQCDEPOMHV-GXTWGEPZSA-N 0 3 274.364 2.017 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000488933246 400587278 /nfs/dbraw/zinc/58/72/78/400587278.db2.gz AQFFYXBJZKCLCE-KBPBESRZSA-N 0 3 275.396 2.229 20 30 CEEDHN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)C(C)C#N ZINC000491715747 400595492 /nfs/dbraw/zinc/59/54/92/400595492.db2.gz FRTHYOXSWBXEOQ-IAQYHMDHSA-N 0 3 297.399 2.202 20 30 CEEDHN CCN1CCC[C@H](NC(=O)[C@H](C)c2cccc(C#N)c2)C1 ZINC000360020969 155192353 /nfs/dbraw/zinc/19/23/53/155192353.db2.gz BDCDIYZLSXRVRR-CJNGLKHVSA-N 0 3 285.391 2.262 20 30 CEEDHN C=CCCCCNC(=O)N(C)CCN1CCCCC1 ZINC000651038186 401252143 /nfs/dbraw/zinc/25/21/43/401252143.db2.gz OLQLZRNUXXGWAG-UHFFFAOYSA-N 0 3 267.417 2.470 20 30 CEEDHN C=CCc1cc(CN(C)[C@@H](C)CCO)cc(OC)c1O ZINC000652048698 401442724 /nfs/dbraw/zinc/44/27/24/401442724.db2.gz SBHYUJPAIWDNRK-LBPRGKRZSA-N 0 3 279.380 2.332 20 30 CEEDHN C[C@@H](CNCc1cc(C#N)n(C)c1)N1CCc2ccccc21 ZINC000190727974 153144161 /nfs/dbraw/zinc/14/41/61/153144161.db2.gz CSSCRWNVUAJUDY-AWEZNQCLSA-N 0 3 294.402 2.438 20 30 CEEDHN CC[C@@]1(CO)CCCN1Cc1ccc(C#N)c(F)c1 ZINC000192216170 153202749 /nfs/dbraw/zinc/20/27/49/153202749.db2.gz ZDVJZDIDGNMMED-HNNXBMFYSA-N 0 3 262.328 2.434 20 30 CEEDHN N#Cc1ccc(CNC[C@H]2CCC[C@H](O)C2)c(F)c1 ZINC000227598003 153347792 /nfs/dbraw/zinc/34/77/92/153347792.db2.gz PRTNAGNOBNEHEZ-JSGCOSHPSA-N 0 3 262.328 2.338 20 30 CEEDHN Cc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1C#N ZINC000367037353 156117643 /nfs/dbraw/zinc/11/76/43/156117643.db2.gz SITQQHNXTKVQAP-BBRMVZONSA-N 0 3 283.375 2.033 20 30 CEEDHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C1CC1)c1cccc(C#N)c1 ZINC000367372737 156173509 /nfs/dbraw/zinc/17/35/09/156173509.db2.gz ABHDNCIPQSDJBL-KCTSRDHCSA-N 0 3 283.375 2.266 20 30 CEEDHN CN1CCC[C@]2(CCN(Cc3ccc(C#N)s3)C2)C1=O ZINC000375353817 157082926 /nfs/dbraw/zinc/08/29/26/157082926.db2.gz BRZQDCYMVWHPEZ-OAHLLOKOSA-N 0 3 289.404 2.064 20 30 CEEDHN N#Cc1ccc(C(=O)NCc2ccc3c(c2)CNC3)cc1 ZINC000134508931 165030284 /nfs/dbraw/zinc/03/02/84/165030284.db2.gz BKXDUGVRLRGFPI-UHFFFAOYSA-N 0 3 277.327 2.091 20 30 CEEDHN N#Cc1ccc(CN[C@H]2Cc3ccccc3[C@@H]2O)s1 ZINC000176970868 165182830 /nfs/dbraw/zinc/18/28/30/165182830.db2.gz XIOQIJGMWDLQIZ-GJZGRUSLSA-N 0 3 270.357 2.368 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](C)c1ccccc1 ZINC000007016097 170262506 /nfs/dbraw/zinc/26/25/06/170262506.db2.gz BFKBBKXLVXEGOB-BBRMVZONSA-N 0 3 273.380 2.392 20 30 CEEDHN C[C@H](NCc1ccc(OCC#N)cc1)[C@@H]1CCCO1 ZINC000035273787 172094233 /nfs/dbraw/zinc/09/42/33/172094233.db2.gz DAKIYQDCKVJWQM-WFASDCNBSA-N 0 3 260.337 2.246 20 30 CEEDHN COC(=O)Nc1cccc(CNCc2cc(C#N)n(C)c2)c1 ZINC000285377514 196265719 /nfs/dbraw/zinc/26/57/19/196265719.db2.gz COABRQVSYKPHQZ-UHFFFAOYSA-N 0 3 298.346 2.365 20 30 CEEDHN C=CCOCCCNC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000660340901 414779256 /nfs/dbraw/zinc/77/92/56/414779256.db2.gz RJEGBNVQNIEOAF-GJZGRUSLSA-N 0 3 297.443 2.141 20 30 CEEDHN C=CCCn1cc(CNC[C@H]2CCCO[C@@H]2C(C)C)nn1 ZINC000657388219 414906628 /nfs/dbraw/zinc/90/66/28/414906628.db2.gz AFLGCMKFNNFWJQ-GDBMZVCRSA-N 0 3 292.427 2.395 20 30 CEEDHN CC#CCN(C)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660647350 414912675 /nfs/dbraw/zinc/91/26/75/414912675.db2.gz QGTIRXTZJVAOGB-CQSZACIVSA-N 0 3 264.413 2.226 20 30 CEEDHN C=CCCn1cc(CNCCC[C@@H]2CCCC[C@@H]2O)nn1 ZINC000657402715 414915469 /nfs/dbraw/zinc/91/54/69/414915469.db2.gz JGVSLYXEPGTPGB-HOCLYGCPSA-N 0 3 292.427 2.275 20 30 CEEDHN C=CCCn1cc(CNCCc2ccc(C)cc2)nn1 ZINC000657365464 414887655 /nfs/dbraw/zinc/88/76/55/414887655.db2.gz GTPWULUDONZHQW-UHFFFAOYSA-N 0 3 270.380 2.495 20 30 CEEDHN C=CCOc1ccccc1CNC[C@H](OC)[C@H]1CCOC1 ZINC000657546237 414994192 /nfs/dbraw/zinc/99/41/92/414994192.db2.gz ZRZQMTZQIILKPF-RDJZCZTQSA-N 0 3 291.391 2.393 20 30 CEEDHN C=CCCCCCNC(=O)N1CCN(C)CC[C@H]1C ZINC000654665789 415001021 /nfs/dbraw/zinc/00/10/21/415001021.db2.gz NZTYVKHLGIGWLJ-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000660844896 415004895 /nfs/dbraw/zinc/00/48/95/415004895.db2.gz WQTJCYHKUCIYKF-ZIAGYGMSSA-N 0 3 277.412 2.221 20 30 CEEDHN C=CCOCCCNCc1cc(OC)ccc1OC ZINC000657657707 415037583 /nfs/dbraw/zinc/03/75/83/415037583.db2.gz SXQVEJYALGALGI-UHFFFAOYSA-N 0 3 265.353 2.386 20 30 CEEDHN C=CCOCCCNCc1nc2ccccc2n1C ZINC000657658446 415039741 /nfs/dbraw/zinc/03/97/41/415039741.db2.gz YJQPZXUHWQWPQL-UHFFFAOYSA-N 0 3 259.353 2.256 20 30 CEEDHN C=CCOCCCNCc1cc(OC)cc(C)n1 ZINC000657658418 415040974 /nfs/dbraw/zinc/04/09/74/415040974.db2.gz XIRGQKITKWRSMG-UHFFFAOYSA-N 0 3 250.342 2.081 20 30 CEEDHN C=CCN(C[C@H](O)Cc1ccccc1)[C@@H](C)COC ZINC000661240698 415150758 /nfs/dbraw/zinc/15/07/58/415150758.db2.gz QFIOUAGKHPSHCY-GOEBONIOSA-N 0 3 263.381 2.113 20 30 CEEDHN C=CCN(C[C@@H](O)CC1CCCC1)[C@@H](C)COC ZINC000661240933 415151475 /nfs/dbraw/zinc/15/14/75/415151475.db2.gz TXHOPCSKKAVPNG-ZFWWWQNUSA-N 0 3 255.402 2.451 20 30 CEEDHN C=CCN(CCn1cc(Cl)cn1)[C@@H](C)COC ZINC000661241321 415151690 /nfs/dbraw/zinc/15/16/90/415151690.db2.gz VTVBKZLPYOUTSB-NSHDSACASA-N 0 3 257.765 2.059 20 30 CEEDHN C=CCN(CCn1cc(Cl)cn1)[C@H](C)COC ZINC000661241320 415152383 /nfs/dbraw/zinc/15/23/83/415152383.db2.gz VTVBKZLPYOUTSB-LLVKDONJSA-N 0 3 257.765 2.059 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnnn1C1CC1 ZINC000657922436 415124246 /nfs/dbraw/zinc/12/42/46/415124246.db2.gz ONKDXLRZHGVAFS-DGCLKSJQSA-N 0 3 261.373 2.233 20 30 CEEDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCC#Cc2ccccc2)C1 ZINC000661218545 415141349 /nfs/dbraw/zinc/14/13/49/415141349.db2.gz ZRFNZXCEMGNSOX-KZNAEPCWSA-N 0 3 287.403 2.194 20 30 CEEDHN N#Cc1ccc(N[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000044411764 175172012 /nfs/dbraw/zinc/17/20/12/175172012.db2.gz VOHSBGMCDGIAQN-LLVKDONJSA-N 0 3 272.308 2.115 20 30 CEEDHN C=CC[C@H]1CCCN(CC(=O)NC2CCCC2)C1 ZINC000661378239 415232212 /nfs/dbraw/zinc/23/22/12/415232212.db2.gz AZIHVQJWKUFWEQ-ZDUSSCGKSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)NCCCOCC)C1 ZINC000661378367 415232834 /nfs/dbraw/zinc/23/28/34/415232834.db2.gz DXDJSEKRJITDOS-CABCVRRESA-N 0 3 282.428 2.206 20 30 CEEDHN N#CC(C(=O)c1ccc2c(c1)CCOC2)c1ccncn1 ZINC000659115250 415399159 /nfs/dbraw/zinc/39/91/59/415399159.db2.gz UVYQNPUVHIDPQH-AWEZNQCLSA-N 0 3 279.299 2.039 20 30 CEEDHN C=C(C)Cn1c(C)nnc1N1CCN(C(C)(C)CC)CC1 ZINC000655631605 415367430 /nfs/dbraw/zinc/36/74/30/415367430.db2.gz QTVZIJOBKZTFBO-UHFFFAOYSA-N 0 3 291.443 2.473 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@](O)(C2CC2)C1 ZINC000661631163 415372423 /nfs/dbraw/zinc/37/24/23/415372423.db2.gz DTJQCSWZEUUDMQ-RHSMWYFYSA-N 0 3 294.439 2.036 20 30 CEEDHN C=C(C)CCNC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000665021079 415552811 /nfs/dbraw/zinc/55/28/11/415552811.db2.gz SGENSZKVSBFSIR-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C(N)=O)c1 ZINC000662079490 415613102 /nfs/dbraw/zinc/61/31/02/415613102.db2.gz GMSBJVNYMLDEID-GASCZTMLSA-N 0 3 256.349 2.469 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC(C)(C)CC ZINC000662082407 415615523 /nfs/dbraw/zinc/61/55/23/415615523.db2.gz ZWEXPUWPSBFROI-BETUJISGSA-N 0 3 250.386 2.474 20 30 CEEDHN C=CCN(CC=C)[C@H](CNc1nccnc1C#N)C(C)C ZINC000072082172 176313334 /nfs/dbraw/zinc/31/33/34/176313334.db2.gz XVAVDGAKBLBUKU-OAHLLOKOSA-N 0 3 285.395 2.459 20 30 CEEDHN C=CCN(CCc1ccco1)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000660224049 415931018 /nfs/dbraw/zinc/93/10/18/415931018.db2.gz HPCQIEZFXKAHNH-HZPDHXFCSA-N 0 3 292.423 2.419 20 30 CEEDHN CC(C#N)C(=O)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000334522083 224749757 /nfs/dbraw/zinc/74/97/57/224749757.db2.gz NHQWZGOCKFBPTB-SNVBAGLBSA-N 0 3 295.745 2.287 20 30 CEEDHN Cc1nc(C)c([C@@H](C)N(C)C(=O)C(C)C#N)s1 ZINC000334760900 225311471 /nfs/dbraw/zinc/31/14/71/225311471.db2.gz WDAYBLYZSVXBNF-IONNQARKSA-N 0 3 251.355 2.439 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1CCC#N ZINC000347601426 226211980 /nfs/dbraw/zinc/21/19/80/226211980.db2.gz LZPBZVROAUUWKT-GJZGRUSLSA-N 0 3 257.381 2.495 20 30 CEEDHN CC(C#N)C(=O)N1CCC(F)(c2cccnc2)CC1 ZINC000336494835 227063449 /nfs/dbraw/zinc/06/34/49/227063449.db2.gz YKJPVQGCFHSKFG-NSHDSACASA-N 0 3 261.300 2.028 20 30 CEEDHN N#CC(C(=O)c1cccc(-n2cccn2)c1)c1ccncn1 ZINC000354464660 227000891 /nfs/dbraw/zinc/00/08/91/227000891.db2.gz JZXYQNGLUDVOTD-CQSZACIVSA-N 0 3 289.298 2.152 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc(CC#N)cc2)CCN1C ZINC000336481442 227056005 /nfs/dbraw/zinc/05/60/05/227056005.db2.gz ZDEMFZAUMVCBKV-IUODEOHRSA-N 0 3 286.379 2.357 20 30 CEEDHN Cc1cnn(CC(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)c1 ZINC000329049654 227273010 /nfs/dbraw/zinc/27/30/10/227273010.db2.gz WBTAQOBMPLHZGJ-HZPDHXFCSA-N 0 3 298.390 2.246 20 30 CEEDHN [O-]C(=[NH+]CCc1ccncc1)N1CCC(c2cnc[nH]2)CC1 ZINC000330019180 228017777 /nfs/dbraw/zinc/01/77/77/228017777.db2.gz URAURFZQOXRFLI-UHFFFAOYSA-N 0 3 299.378 2.141 20 30 CEEDHN N#C[C@@H]1CCC[C@H]1NC[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000331398894 228097490 /nfs/dbraw/zinc/09/74/90/228097490.db2.gz GUQVWCDARYQCFT-BHYGNILZSA-N 0 3 297.402 2.431 20 30 CEEDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N[C@@H]1CC[C@@H](C#N)C1 ZINC000333092563 228190129 /nfs/dbraw/zinc/19/01/29/228190129.db2.gz OMLNDFMZPCMSEF-NYTXWWLZSA-N 0 3 288.395 2.149 20 30 CEEDHN CC#CCN(C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000297413308 260126340 /nfs/dbraw/zinc/12/63/40/260126340.db2.gz SIZSPDBCOAFXFE-OAHLLOKOSA-N 0 3 287.407 2.172 20 30 CEEDHN C#Cc1ccc(CNC(=O)N2CCCN(C(C)C)CC2)cc1 ZINC000297552806 260128828 /nfs/dbraw/zinc/12/88/28/260128828.db2.gz JYYITJLDSXJUBA-UHFFFAOYSA-N 0 3 299.418 2.294 20 30 CEEDHN C=C[C@@H](CO)Nc1ccnc2cc(OC)c(OC)cc21 ZINC000299005749 260170073 /nfs/dbraw/zinc/17/00/73/260170073.db2.gz SCQRDDXZOINNRP-JTQLQIEISA-N 0 3 274.320 2.211 20 30 CEEDHN C#CCN(CC)C[C@@H](O)COc1ccccc1Cl ZINC000299147885 260173184 /nfs/dbraw/zinc/17/31/84/260173184.db2.gz CYGCIKTWAMWCSD-GFCCVEGCSA-N 0 3 267.756 2.035 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000068824562 260225318 /nfs/dbraw/zinc/22/53/18/260225318.db2.gz QFCCETKESZJPHT-CYBMUJFWSA-N 0 3 289.354 2.292 20 30 CEEDHN N#CCCC1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000518189812 260352096 /nfs/dbraw/zinc/35/20/96/260352096.db2.gz KWKBPXXEJNKNIU-INIZCTEOSA-N 0 3 285.391 2.099 20 30 CEEDHN CC(C)(C)NC(=O)C(C#N)c1nccn1Cc1ccccc1 ZINC000155470560 261102536 /nfs/dbraw/zinc/10/25/36/261102536.db2.gz SRWDPNIEGMKKOD-CQSZACIVSA-N 0 3 296.374 2.453 20 30 CEEDHN CN(C)[C@@H]1CCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000176042313 261261696 /nfs/dbraw/zinc/26/16/96/261261696.db2.gz YUGIMHZBJCHGRR-CYBMUJFWSA-N 0 3 289.404 2.078 20 30 CEEDHN CN(C)[C@H]1CCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000176042329 261261854 /nfs/dbraw/zinc/26/18/54/261261854.db2.gz YUGIMHZBJCHGRR-ZDUSSCGKSA-N 0 3 289.404 2.078 20 30 CEEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C(C)(C)C#N ZINC000182530850 261451217 /nfs/dbraw/zinc/45/12/17/261451217.db2.gz YAZHIVTVSIUDNS-ZDUSSCGKSA-N 0 3 273.380 2.173 20 30 CEEDHN C#CCN(C)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000491657775 261746599 /nfs/dbraw/zinc/74/65/99/261746599.db2.gz ARBHQKTVKDQWHI-OAHLLOKOSA-N 0 3 273.380 2.084 20 30 CEEDHN COC[C@@H](NCCCSCC#N)c1ccco1 ZINC000184516965 262022300 /nfs/dbraw/zinc/02/23/00/262022300.db2.gz MHZFWEXXYCKEMM-LLVKDONJSA-N 0 3 254.355 2.204 20 30 CEEDHN C=CCN1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000364150632 262157873 /nfs/dbraw/zinc/15/78/73/262157873.db2.gz HNQAUVVFPXYYMZ-CYBMUJFWSA-N 0 3 256.353 2.170 20 30 CEEDHN O=C1C[C@H]([C@@H]2CCCCN2CC#Cc2ccccc2)CN1 ZINC000365270997 262357151 /nfs/dbraw/zinc/35/71/51/262357151.db2.gz GJCXUDFKPNWSSM-IRXDYDNUSA-N 0 3 282.387 2.029 20 30 CEEDHN Cc1ncccc1O[C@H]1CCN(CCCSCC#N)C1 ZINC000365274022 262357591 /nfs/dbraw/zinc/35/75/91/262357591.db2.gz LJVAHKBNTMSBON-AWEZNQCLSA-N 0 3 291.420 2.490 20 30 CEEDHN CCOCCN1CCN(CCCCC(C)(C)C#N)CC1 ZINC000336827653 262398027 /nfs/dbraw/zinc/39/80/27/262398027.db2.gz DKRDWOAGSLHGLB-UHFFFAOYSA-N 0 3 281.444 2.361 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000278747485 263050302 /nfs/dbraw/zinc/05/03/02/263050302.db2.gz NPNUILURPCKHDU-ZACQAIPSSA-N 0 3 297.402 2.459 20 30 CEEDHN C[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279947826 263058320 /nfs/dbraw/zinc/05/83/20/263058320.db2.gz LYFLRHXCANJOMT-XJKSGUPXSA-N 0 3 281.359 2.499 20 30 CEEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CCSC1 ZINC000281518953 263069752 /nfs/dbraw/zinc/06/97/52/263069752.db2.gz JBQWXXTVELMYRS-HUUCEWRRSA-N 0 3 299.399 2.204 20 30 CEEDHN C#C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000281883588 263072625 /nfs/dbraw/zinc/07/26/25/263072625.db2.gz FHEKPEVVOFTZNA-HZPDHXFCSA-N 0 3 279.343 2.015 20 30 CEEDHN Cn1cc2c(n1)CCC[C@@H]2N[C@@H]1CCC[C@@H](C#N)C1 ZINC000282582369 263077606 /nfs/dbraw/zinc/07/76/06/263077606.db2.gz ZSWLFGPXSQMWKS-BZPMIXESSA-N 0 3 258.369 2.469 20 30 CEEDHN Cn1nccc1C1=CCN(CCC(C)(C)C#N)CC1 ZINC000285590766 263094322 /nfs/dbraw/zinc/09/43/22/263094322.db2.gz LNYUJDMEZNMZKB-UHFFFAOYSA-N 0 3 258.369 2.449 20 30 CEEDHN N#CCCCCN1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340211343 263094632 /nfs/dbraw/zinc/09/46/32/263094632.db2.gz VQRPIYPODAQNBE-WDEREUQCSA-N 0 3 264.291 2.458 20 30 CEEDHN CN(C)C[C@H](NC(=O)NCCCC#N)c1ccc(F)cc1 ZINC000288077740 263103359 /nfs/dbraw/zinc/10/33/59/263103359.db2.gz HAIYNRNKEAHWDL-AWEZNQCLSA-N 0 3 292.358 2.031 20 30 CEEDHN CCOC(=O)CC1(CNC(=O)C(C)C#N)CCCCC1 ZINC000340335425 263115961 /nfs/dbraw/zinc/11/59/61/263115961.db2.gz FDOWPGCYVOYKBX-LBPRGKRZSA-N 0 3 280.368 2.166 20 30 CEEDHN C#Cc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000366679605 263120508 /nfs/dbraw/zinc/12/05/08/263120508.db2.gz NQGXZLIKGWDGBQ-ZWKOTPCHSA-N 0 3 263.340 2.416 20 30 CEEDHN C=CCC[C@H](NC[C@H]1CC[C@H](CO)O1)c1ccco1 ZINC000340413615 263137494 /nfs/dbraw/zinc/13/74/94/263137494.db2.gz QFNKNDACGAGCGM-MCIONIFRSA-N 0 3 265.353 2.416 20 30 CEEDHN COc1cc(C)c(CN(C)CCOCCC#N)cc1OC ZINC000293430105 263140097 /nfs/dbraw/zinc/14/00/97/263140097.db2.gz JFSJTJLUYPJWTA-UHFFFAOYSA-N 0 3 292.379 2.374 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@@H](CC(N)=O)c2ccccc2)C1 ZINC000293705244 263147530 /nfs/dbraw/zinc/14/75/30/263147530.db2.gz RYAQDQHPLFDCKB-SNPRPXQTSA-N 0 3 271.364 2.275 20 30 CEEDHN C=CCN(CCC#N)C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000293902702 263152015 /nfs/dbraw/zinc/15/20/15/263152015.db2.gz RIIUJIIHNVNXDU-OAHLLOKOSA-N 0 3 277.412 2.425 20 30 CEEDHN C[C@H]1CN(C(=O)c2cccc(CC#N)c2)CCN(C2CC2)C1 ZINC000295454474 263177738 /nfs/dbraw/zinc/17/77/38/263177738.db2.gz WWNGCVBSCRVTJX-CQSZACIVSA-N 0 3 297.402 2.309 20 30 CEEDHN C[C@@H](CCC#N)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000298065359 263214825 /nfs/dbraw/zinc/21/48/25/263214825.db2.gz GRSVVMXANHDXLR-GOEBONIOSA-N 0 3 258.365 2.315 20 30 CEEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(C(=O)OC)co1 ZINC000453360623 263250661 /nfs/dbraw/zinc/25/06/61/263250661.db2.gz PIDIIOPGGHEUQY-ZYHUDNBSSA-N 0 3 267.325 2.044 20 30 CEEDHN C=CCCC[C@H](C)N1CCN(c2cnn(C)c2)CC1 ZINC000340886076 263311255 /nfs/dbraw/zinc/31/12/55/263311255.db2.gz DQDJNQQHMFBLRK-AWEZNQCLSA-N 0 3 262.401 2.287 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C1(C#N)CCCC1 ZINC000341065383 263320586 /nfs/dbraw/zinc/32/05/86/263320586.db2.gz UVHZLPYYCUTICP-KBPBESRZSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000341069071 263321042 /nfs/dbraw/zinc/32/10/42/263321042.db2.gz NRLALHTXZCEZCB-QLFBSQMISA-N 0 3 282.428 2.347 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1ccccc1NC(=O)[C@H](C)C#N ZINC000341475080 263341379 /nfs/dbraw/zinc/34/13/79/263341379.db2.gz FHYYKQOJFCMPKH-TUAOUCFPSA-N 0 3 298.346 2.122 20 30 CEEDHN COc1cc([C@@H](C)NCCCC#N)ccc1OCCO ZINC000341593170 263343816 /nfs/dbraw/zinc/34/38/16/263343816.db2.gz YYSVIJAHYAZKBK-GFCCVEGCSA-N 0 3 278.352 2.021 20 30 CEEDHN C=CC[C@H](CO)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341880573 263362178 /nfs/dbraw/zinc/36/21/78/263362178.db2.gz QBHMEGYRXIISIB-NEPJUHHUSA-N 0 3 264.325 2.430 20 30 CEEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cnc2cc(C)nn2c1C ZINC000341883451 263362436 /nfs/dbraw/zinc/36/24/36/263362436.db2.gz IUDNEZQIORSWJM-GXTWGEPZSA-N 0 3 288.395 2.181 20 30 CEEDHN C=C1CCN(C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000342110437 263388977 /nfs/dbraw/zinc/38/89/77/263388977.db2.gz WYHBFVGROAKZRK-HZSPNIEDSA-N 0 3 250.386 2.426 20 30 CEEDHN C=CCC[C@H](O)CNC1(c2ccc3c(c2)OCO3)CC1 ZINC000342190105 263397187 /nfs/dbraw/zinc/39/71/87/263397187.db2.gz HMULTHDCOPSCAM-ZDUSSCGKSA-N 0 3 275.348 2.321 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000342190571 263397912 /nfs/dbraw/zinc/39/79/12/263397912.db2.gz REQHEWZCJLKGTF-OCCSQVGLSA-N 0 3 265.401 2.077 20 30 CEEDHN CC(C#N)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000334430267 263623532 /nfs/dbraw/zinc/62/35/32/263623532.db2.gz ZYGYAZOKPSXNIO-GFCCVEGCSA-N 0 3 265.316 2.334 20 30 CEEDHN C=CCn1cc(CNCCCCOc2ccccc2)nn1 ZINC000425346576 264018865 /nfs/dbraw/zinc/01/88/65/264018865.db2.gz BMQWRWCYMDLYCG-UHFFFAOYSA-N 0 3 286.379 2.413 20 30 CEEDHN CCN1CCC(NC(=O)N[C@H](C)CC(C)(C)OC)CC1 ZINC000330911923 264076060 /nfs/dbraw/zinc/07/60/60/264076060.db2.gz ZGVQVCWUERWAEN-GFCCVEGCSA-N 0 3 285.432 2.178 20 30 CEEDHN CC[C@@H](NC(=O)NC1CCN(CC)CC1)C1CCOCC1 ZINC000330949041 264085744 /nfs/dbraw/zinc/08/57/44/264085744.db2.gz CIRCXVVMYHIMGS-OAHLLOKOSA-N 0 3 297.443 2.180 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C#N)s2)CC1 ZINC000331109100 264126607 /nfs/dbraw/zinc/12/66/07/264126607.db2.gz KFCMUSVEGANHBT-UHFFFAOYSA-N 0 3 289.404 2.390 20 30 CEEDHN CC1=C(C(=O)N[C@@H](CO)CN2CCCCC2)CCC1 ZINC000331320153 264188573 /nfs/dbraw/zinc/18/85/73/264188573.db2.gz DVJHBQZGCPGRGL-CYBMUJFWSA-N 0 3 266.385 2.290 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@H](O)[C@H](C)C2)cc1OC ZINC000190058759 264343721 /nfs/dbraw/zinc/34/37/21/264343721.db2.gz XCHSKSKYPVEPIG-HIFRSBDPSA-N 0 3 291.391 2.463 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](OC)C(C)(C)C1 ZINC000296040983 265034918 /nfs/dbraw/zinc/03/49/18/265034918.db2.gz OBZMGOLLUSQHPS-GJZGRUSLSA-N 0 3 294.439 2.322 20 30 CEEDHN CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc(C#N)cc1 ZINC000195234127 266502789 /nfs/dbraw/zinc/50/27/89/266502789.db2.gz UORVTEOOANNGPA-INIZCTEOSA-N 0 3 285.391 2.043 20 30 CEEDHN C=CCCCCCN1CCCC[C@H]1CNS(C)(=O)=O ZINC000362926215 267062452 /nfs/dbraw/zinc/06/24/52/267062452.db2.gz XRLKPLSNMYVQFH-AWEZNQCLSA-N 0 3 288.457 2.137 20 30 CEEDHN C[C@@]1(O)C[C@H](NCc2cccc(OCCCC#N)c2)C1 ZINC000418115487 267087869 /nfs/dbraw/zinc/08/78/69/267087869.db2.gz PLPHBAQWQXNELR-FZNQNYSPSA-N 0 3 274.364 2.372 20 30 CEEDHN C#CCCN1CCC(n2ncc(C(=O)OCC)c2C)CC1 ZINC000367540555 267098632 /nfs/dbraw/zinc/09/86/32/267098632.db2.gz NPXYWGNBXQBLGJ-UHFFFAOYSA-N 0 3 289.379 2.028 20 30 CEEDHN C=C(C)CCN1CCCC[C@H]1CCS(C)(=O)=O ZINC000368321846 267162264 /nfs/dbraw/zinc/16/22/64/267162264.db2.gz PRDWXLDUYUJXQN-ZDUSSCGKSA-N 0 3 259.415 2.242 20 30 CEEDHN CCOc1ccc(C#N)cc1NC(=O)/C=C\CN(C)C ZINC000491841651 267164230 /nfs/dbraw/zinc/16/42/30/267164230.db2.gz CSOHUVLEXGZLIJ-WAYWQWQTSA-N 0 3 273.336 2.013 20 30 CEEDHN CC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)F ZINC000452268658 267192553 /nfs/dbraw/zinc/19/25/53/267192553.db2.gz YJSBDGXKSCJXHT-CHWSQXEVSA-N 0 3 291.301 2.400 20 30 CEEDHN N#CCCCCN1CCC(NC(=O)c2ccoc2)CC1 ZINC000368874017 267210400 /nfs/dbraw/zinc/21/04/00/267210400.db2.gz BUWQQSWKKJTFKN-UHFFFAOYSA-N 0 3 275.352 2.168 20 30 CEEDHN C#CCNC(=O)N(CC=C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368924814 267214158 /nfs/dbraw/zinc/21/41/58/267214158.db2.gz NMVUDZKMKHFVLA-QGZVFWFLSA-N 0 3 297.402 2.092 20 30 CEEDHN CC[C@H]1[C@H](CO)CCN1Cc1ccc(C#N)s1 ZINC000449424463 267236740 /nfs/dbraw/zinc/23/67/40/267236740.db2.gz PDDBQKANPRPTDP-GWCFXTLKSA-N 0 3 250.367 2.213 20 30 CEEDHN C#CC[C@H](C)NC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000369817827 267268958 /nfs/dbraw/zinc/26/89/58/267268958.db2.gz DMEQSXWJNHRCTP-GJZGRUSLSA-N 0 3 277.412 2.058 20 30 CEEDHN CN(C(=O)/C=C\c1ccc(C#N)cc1)[C@@H]1CCCN(C)C1 ZINC000491906050 267269698 /nfs/dbraw/zinc/26/96/98/267269698.db2.gz PYOOMDJKCMBVIV-ZBTGYSDGSA-N 0 3 283.375 2.124 20 30 CEEDHN CC1(C)CN(CCCSCC#N)C[C@@]2(CCCOC2)O1 ZINC000370041262 267285974 /nfs/dbraw/zinc/28/59/74/267285974.db2.gz PMWFTTJNXTUXCT-OAHLLOKOSA-N 0 3 298.452 2.293 20 30 CEEDHN CN(C)[C@@H](CNc1cncc(C#N)n1)c1ccc(F)cc1 ZINC000420584657 267286738 /nfs/dbraw/zinc/28/67/38/267286738.db2.gz LQCACSAWJDHHNN-AWEZNQCLSA-N 0 3 285.326 2.202 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)c1c(C#N)cccc1[N+](=O)[O-] ZINC000425219887 267308847 /nfs/dbraw/zinc/30/88/47/267308847.db2.gz BIIAIUSMFFKMMW-LBPRGKRZSA-N 0 3 288.351 2.244 20 30 CEEDHN Cc1cc(N2CCN(C3CCCC3)CC2)c(C#N)cn1 ZINC000399566350 267337674 /nfs/dbraw/zinc/33/76/74/267337674.db2.gz IJYRTQKCFCZOJH-UHFFFAOYSA-N 0 3 270.380 2.326 20 30 CEEDHN C=CC(C)(C)CNC(=O)NC[C@@H](N)c1ccccc1 ZINC000418242827 267430946 /nfs/dbraw/zinc/43/09/46/267430946.db2.gz BJGNLJQTLRZMNP-CYBMUJFWSA-N 0 3 261.369 2.198 20 30 CEEDHN C(#Cc1ccccc1)CN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000373073257 267636178 /nfs/dbraw/zinc/63/61/78/267636178.db2.gz CHTSXRNGYHXAKF-OALUTQOASA-N 0 3 298.430 2.271 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC(c2noc(C3CC3)n2)CC1 ZINC000375150287 267835170 /nfs/dbraw/zinc/83/51/70/267835170.db2.gz GBNJWVICVAAMSE-CQSZACIVSA-N 0 3 291.395 2.454 20 30 CEEDHN N#Cc1ccc(CNC2(CO)C3CC4CC(C3)CC2C4)nc1 ZINC000517171842 268231664 /nfs/dbraw/zinc/23/16/64/268231664.db2.gz QDBQBXZRVQOWCD-UHFFFAOYSA-N 0 3 297.402 2.230 20 30 CEEDHN CN1CC=C(CNc2cc(C#N)c3ccccc3n2)CC1 ZINC000392841907 270341142 /nfs/dbraw/zinc/34/11/42/270341142.db2.gz QFAUEWMOJKNACF-UHFFFAOYSA-N 0 3 278.359 2.202 20 30 CEEDHN CC(C)CN1CCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000425198147 271138551 /nfs/dbraw/zinc/13/85/51/271138551.db2.gz DHNHOIDUZBISLD-UHFFFAOYSA-N 0 3 284.407 2.220 20 30 CEEDHN CS[C@@H]1CN(c2ccc(C#N)cc2)C[C@H]1N(C)C ZINC000271135485 274182548 /nfs/dbraw/zinc/18/25/48/274182548.db2.gz WNEIYLWOGBKNDI-ZIAGYGMSSA-N 0 3 261.394 2.040 20 30 CEEDHN CN(C)C(=O)CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352834003 276750989 /nfs/dbraw/zinc/75/09/89/276750989.db2.gz JWEDWXKZUADSNR-UHFFFAOYSA-N 0 3 299.296 2.145 20 30 CEEDHN CN(C)C(=O)CCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360659070 276751298 /nfs/dbraw/zinc/75/12/98/276751298.db2.gz WPXTXVKNSJURPU-INIZCTEOSA-N 0 3 285.391 2.394 20 30 CEEDHN C=C(C)CCNC(=O)N1CCCC12CCN(C)CC2 ZINC000334785844 276857187 /nfs/dbraw/zinc/85/71/87/276857187.db2.gz DIFBOPXTGWDPDQ-UHFFFAOYSA-N 0 3 265.401 2.222 20 30 CEEDHN CS[C@@H]1CN(c2c(F)cc(C#N)cc2F)C[C@H]1N(C)C ZINC000271605404 277524770 /nfs/dbraw/zinc/52/47/70/277524770.db2.gz JESRIXGEIXRPEM-CHWSQXEVSA-N 0 3 297.374 2.318 20 30 CEEDHN CS[C@H]1CN(c2ccc(C#N)cc2)C[C@@H]1N(C)C ZINC000271135478 278167533 /nfs/dbraw/zinc/16/75/33/278167533.db2.gz WNEIYLWOGBKNDI-KBPBESRZSA-N 0 3 261.394 2.040 20 30 CEEDHN C[C@H](CNC(=O)C1(C#N)CCCC1)N1CCC(C)CC1 ZINC000049378830 279326770 /nfs/dbraw/zinc/32/67/70/279326770.db2.gz DISLVHCQURXYOW-CQSZACIVSA-N 0 3 277.412 2.307 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000334729569 280315049 /nfs/dbraw/zinc/31/50/49/280315049.db2.gz DEWJNNRAXOEXMT-GOEBONIOSA-N 0 3 298.390 2.425 20 30 CEEDHN COCCO[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000249356911 280393697 /nfs/dbraw/zinc/39/36/97/280393697.db2.gz LEIWBNNHJDJCBD-XJKSGUPXSA-N 0 3 274.364 2.357 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)/C=C\c1cccc(C#N)c1 ZINC000255322830 280487920 /nfs/dbraw/zinc/48/79/20/280487920.db2.gz OEEKHBHBWHMADR-HJWRWDBZSA-N 0 3 285.391 2.370 20 30 CEEDHN CN(CCOC[C@@H]1CCCO1)Cc1cccc(C#N)c1 ZINC000152148828 289078927 /nfs/dbraw/zinc/07/89/27/289078927.db2.gz CFSXRFRVPRSYCF-INIZCTEOSA-N 0 3 274.364 2.186 20 30 CEEDHN CN(c1cc(C#N)ncn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309730085 289277964 /nfs/dbraw/zinc/27/79/64/289277964.db2.gz RIMZRGMZCVETMC-MRXNPFEDSA-N 0 3 293.374 2.059 20 30 CEEDHN C[C@H](NCCOC[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000537295893 298208300 /nfs/dbraw/zinc/20/83/00/298208300.db2.gz OPBHQQQTDCAKTC-BBRMVZONSA-N 0 3 274.364 2.404 20 30 CEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cc1cccc(C#N)c1 ZINC000538692406 298233692 /nfs/dbraw/zinc/23/36/92/298233692.db2.gz FKWAJQIQNRXGEN-AWEZNQCLSA-N 0 3 299.418 2.289 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)nc1 ZINC000570341327 314035011 /nfs/dbraw/zinc/03/50/11/314035011.db2.gz GDHYGBKXDRAJNY-ARFHVFGLSA-N 0 3 271.364 2.079 20 30 CEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1cccc(C#N)n1 ZINC000576277690 314259088 /nfs/dbraw/zinc/25/90/88/314259088.db2.gz NENZIKNCZVDNAB-GXTWGEPZSA-N 0 3 299.378 2.044 20 30 CEEDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1ccc(C#N)cn1 ZINC000577003620 314331893 /nfs/dbraw/zinc/33/18/93/314331893.db2.gz UZRXUOUEGMBIOG-CABCVRRESA-N 0 3 287.363 2.165 20 30 CEEDHN N#Cc1cccc(CN2CCNC[C@@H]2c2ccncc2)c1 ZINC000577116929 314343270 /nfs/dbraw/zinc/34/32/70/314343270.db2.gz HFNXWFYMFBNKGB-QGZVFWFLSA-N 0 3 278.359 2.100 20 30 CEEDHN C[C@H]1C[C@@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)CO1 ZINC000577220464 314353990 /nfs/dbraw/zinc/35/39/90/314353990.db2.gz HSMPCSYYHMVLLJ-BLLLJJGKSA-N 0 3 296.374 2.226 20 30 CEEDHN N#Cc1csc(CN[C@H]2CCCC23CCOCC3)n1 ZINC000577802917 314414744 /nfs/dbraw/zinc/41/47/44/314414744.db2.gz RZWFDLQWYLAJOU-LBPRGKRZSA-N 0 3 277.393 2.454 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](c2ccncc2)C1 ZINC000563629511 328078877 /nfs/dbraw/zinc/07/88/77/328078877.db2.gz GLJOKFXYBZAWDF-NVXWUHKLSA-N 0 3 299.418 2.460 20 30 CEEDHN N#CC1(c2ccccn2)CCN(C[C@@H]2CCCC[C@H]2O)CC1 ZINC000571289313 328098447 /nfs/dbraw/zinc/09/84/47/328098447.db2.gz XJBLLOGZONHBJU-JKSUJKDBSA-N 0 3 299.418 2.490 20 30 CEEDHN CCC[C@@H](O)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000571393118 328118102 /nfs/dbraw/zinc/11/81/02/328118102.db2.gz ASYPLIOJQGEHBY-CQSZACIVSA-N 0 3 273.380 2.100 20 30 CEEDHN C=C(C)CCNCc1ccc(S(C)(=O)=O)s1 ZINC000414470110 328184023 /nfs/dbraw/zinc/18/40/23/328184023.db2.gz NSFQEICZTBMBEC-UHFFFAOYSA-N 0 3 259.396 2.207 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@@H](O)C1 ZINC000268971138 328187835 /nfs/dbraw/zinc/18/78/35/328187835.db2.gz LZQDJNJXKXSICJ-CQSZACIVSA-N 0 3 258.365 2.444 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc(-n3cncn3)c2)C1 ZINC000274240749 328210224 /nfs/dbraw/zinc/21/02/24/328210224.db2.gz VWXJOMMXAPVPMZ-UKRRQHHQSA-N 0 3 281.363 2.439 20 30 CEEDHN CC[C@@H](N[C@H](C)CCC#N)c1cccc(S(N)(=O)=O)c1 ZINC000278632322 328228962 /nfs/dbraw/zinc/22/89/62/328228962.db2.gz OJLXFARMLUXLGG-BXUZGUMPSA-N 0 3 295.408 2.067 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000582849174 329279534 /nfs/dbraw/zinc/27/95/34/329279534.db2.gz RGSWARNFQRAOSA-PBHICJAKSA-N 0 3 296.455 2.404 20 30 CEEDHN COC[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C(C)C ZINC000581134586 322372496 /nfs/dbraw/zinc/37/24/96/322372496.db2.gz WDYFLAUNHMASOQ-ZDUSSCGKSA-N 0 3 277.324 2.227 20 30 CEEDHN COc1ccccc1[C@H](NC(=O)C(C)C#N)c1ccccn1 ZINC000340743542 328398720 /nfs/dbraw/zinc/39/87/20/328398720.db2.gz VBUBVFFJCGAHLX-LRDDRELGSA-N 0 3 295.342 2.455 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@@](C)(CO)C1CCCCC1 ZINC000077656914 328490662 /nfs/dbraw/zinc/49/06/62/328490662.db2.gz FHUPESKEDIPLFL-KRWDZBQOSA-N 0 3 294.439 2.108 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000281817834 328503647 /nfs/dbraw/zinc/50/36/47/328503647.db2.gz ZKMOWGSSTRXEAQ-LSDHHAIUSA-N 0 3 287.407 2.308 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CCCC[C@@H]1CN(C)C)OCC ZINC000533706409 326913457 /nfs/dbraw/zinc/91/34/57/326913457.db2.gz TYOVTTBNPPXQQJ-CABCVRRESA-N 0 3 282.428 2.300 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](C2CCCC2)C1 ZINC000557667244 327019721 /nfs/dbraw/zinc/01/97/21/327019721.db2.gz LGYYPFXXXREEKD-HIFRSBDPSA-N 0 3 289.423 2.449 20 30 CEEDHN CC1CC(C#N)(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000557836719 327030401 /nfs/dbraw/zinc/03/04/01/327030401.db2.gz AUOOMJKBAPMJAY-XOYHFGRZSA-N 0 3 289.423 2.259 20 30 CEEDHN C[C@H](C#N)C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000531060437 327236020 /nfs/dbraw/zinc/23/60/20/327236020.db2.gz GCMNCJBQCSTULC-CQSZACIVSA-N 0 3 271.364 2.275 20 30 CEEDHN C=CCCCC[NH2+][C@H](c1nc(-c2nc[n-]n2)no1)C(C)C ZINC000560239418 327292116 /nfs/dbraw/zinc/29/21/16/327292116.db2.gz JEAURMSSANLEHH-NSHDSACASA-N 0 3 290.371 2.498 20 30 CEEDHN C=CCCCCN[C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000560239418 327292117 /nfs/dbraw/zinc/29/21/17/327292117.db2.gz JEAURMSSANLEHH-NSHDSACASA-N 0 3 290.371 2.498 20 30 CEEDHN C[C@H](O)[C@H](C)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000578618742 327346514 /nfs/dbraw/zinc/34/65/14/327346514.db2.gz PIABSOSDJHLUHO-QWRGUYRKSA-N 0 3 271.282 2.416 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccnn1C1CCCC1 ZINC000449699423 327415017 /nfs/dbraw/zinc/41/50/17/327415017.db2.gz QNLSBYVBKZEKML-ZDUSSCGKSA-N 0 3 263.385 2.415 20 30 CEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000377511054 329017389 /nfs/dbraw/zinc/01/73/89/329017389.db2.gz IIDHWOXNZFPMNN-ZIAGYGMSSA-N 0 3 278.396 2.484 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCC(Cc2cccnc2)CC1 ZINC000360060647 329071122 /nfs/dbraw/zinc/07/11/22/329071122.db2.gz QSRDEXVXKYZLOO-CQSZACIVSA-N 0 3 287.407 2.027 20 30 CEEDHN C[C@@H](C(=O)NCCCCC#N)N1CCCCCC1 ZINC000172128362 329081558 /nfs/dbraw/zinc/08/15/58/329081558.db2.gz VRXADCXYDHKKJP-ZDUSSCGKSA-N 0 3 251.374 2.061 20 30 CEEDHN C=CCCCCCN(C)[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC000172654894 329136152 /nfs/dbraw/zinc/13/61/52/329136152.db2.gz UNJPADWYIBXLFY-INIZCTEOSA-N 0 3 295.471 2.217 20 30 CEEDHN C=CCN1CCC(NC(=O)NC(C)(C)CC)CC1 ZINC000176387968 329175097 /nfs/dbraw/zinc/17/50/97/329175097.db2.gz LNWXNMBMUCSBNB-UHFFFAOYSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)C2(C)CC2)CC1 ZINC000176500204 329175218 /nfs/dbraw/zinc/17/52/18/329175218.db2.gz AUPPJVIEYOIMIA-CYBMUJFWSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCC[C@@H](O)CN1CCOC2(CCCCC2)C1 ZINC000177547658 329185607 /nfs/dbraw/zinc/18/56/07/329185607.db2.gz GSLXHPUMUYHRFB-CQSZACIVSA-N 0 3 253.386 2.349 20 30 CEEDHN CC[C@@H](C)CN(CC)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000177860456 329193478 /nfs/dbraw/zinc/19/34/78/329193478.db2.gz DIJUFJXZIWKOBT-DOMZBBRYSA-N 0 3 265.401 2.163 20 30 CEEDHN C=C(C)CN(C)C[C@H](O)COCc1ccc(OC)cc1 ZINC000181314140 329231107 /nfs/dbraw/zinc/23/11/07/329231107.db2.gz KSAACCARVITFJS-HNNXBMFYSA-N 0 3 279.380 2.081 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H](C)CC(C)C)CC1 ZINC000184765804 329263935 /nfs/dbraw/zinc/26/39/35/329263935.db2.gz UWRIOFGCBMFIMM-ZDUSSCGKSA-N 0 3 252.402 2.435 20 30 CEEDHN C=CCC[C@H](CO)NCc1cc(OC)c(OC)c(OC)c1 ZINC000321461217 329358561 /nfs/dbraw/zinc/35/85/61/329358561.db2.gz PAEYNJWCMBTZMJ-CYBMUJFWSA-N 0 3 295.379 2.129 20 30 CEEDHN C=CCC1(C(=O)NCCN2CCCCC2)CCC1 ZINC000188729379 329370891 /nfs/dbraw/zinc/37/08/91/329370891.db2.gz XFCSZKIYDIRZSY-UHFFFAOYSA-N 0 3 250.386 2.335 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@H](N)c1ccccc1 ZINC000418437531 329531555 /nfs/dbraw/zinc/53/15/55/329531555.db2.gz YDUJHCVBJDZMCS-LSDHHAIUSA-N 0 3 273.380 2.437 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](C)COC)cc1OC ZINC000060816619 329680421 /nfs/dbraw/zinc/68/04/21/329680421.db2.gz NODLOIJWUYEGEJ-LBPRGKRZSA-N 0 3 265.353 2.385 20 30 CEEDHN COC[C@H](C)NCc1cccc(OCCCC#N)c1 ZINC000237239454 329694051 /nfs/dbraw/zinc/69/40/51/329694051.db2.gz FNYQYOPSDNBQDM-ZDUSSCGKSA-N 0 3 262.353 2.494 20 30 CEEDHN C[C@H](C(=O)N(CCC#N)CC1CC1)N1CCCCCC1 ZINC000074253921 329863838 /nfs/dbraw/zinc/86/38/38/329863838.db2.gz 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CEEDHN C#CCN(C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000491710447 332302204 /nfs/dbraw/zinc/30/22/04/332302204.db2.gz SLVYJTLZXYWELL-HNNXBMFYSA-N 0 3 299.418 2.487 20 30 CEEDHN C#C[C@@H](NCc1ccc(-n2cncn2)c(F)c1)C(C)C ZINC000491727443 332310641 /nfs/dbraw/zinc/31/06/41/332310641.db2.gz HKQUXYWULPOJNX-CQSZACIVSA-N 0 3 272.327 2.154 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000491743639 332321886 /nfs/dbraw/zinc/32/18/86/332321886.db2.gz MPLUTBXNXWNTTM-WBVHZDCISA-N 0 3 299.418 2.487 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cccc(SCC)c1 ZINC000491786357 332349159 /nfs/dbraw/zinc/34/91/59/332349159.db2.gz SYKDRDPIOICFLC-UHFFFAOYSA-N 0 3 290.432 2.484 20 30 CEEDHN C#C[C@H](NC(=O)[C@@H]1CCCN1CCC)C(C)(C)C ZINC000491789502 332351523 /nfs/dbraw/zinc/35/15/23/332351523.db2.gz VBZWPXPTIRZCQD-STQMWFEESA-N 0 3 250.386 2.025 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc2ccccc2nc1C ZINC000491793836 332353804 /nfs/dbraw/zinc/35/38/04/332353804.db2.gz NOCSNFUGNFAIDZ-UHFFFAOYSA-N 0 3 295.386 2.228 20 30 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20 30 CEEDHN N#CC(C(=O)c1cncc(F)c1)c1nnc2n1CCCCC2 ZINC000177731460 333062451 /nfs/dbraw/zinc/06/24/51/333062451.db2.gz NWSUNYFUHJBUFH-LBPRGKRZSA-N 0 3 299.309 2.029 20 30 CEEDHN C[C@H](NC(=O)CSCC#N)[C@H](c1ccccc1)N(C)C ZINC000187198145 333168719 /nfs/dbraw/zinc/16/87/19/333168719.db2.gz PFRNOSKYFGASBN-SWLSCSKDSA-N 0 3 291.420 2.051 20 30 CEEDHN CC[C@@H](C(=O)Nc1cc(C)nn1CCC#N)N(CC)CC ZINC000545889510 334004192 /nfs/dbraw/zinc/00/41/92/334004192.db2.gz NHOMTOHTXGFICK-ZDUSSCGKSA-N 0 3 291.399 2.164 20 30 CEEDHN C=C(C)[C@@H](NCC1(CO)COC1)c1ccc(F)c(F)c1 ZINC000547512988 334096718 /nfs/dbraw/zinc/09/67/18/334096718.db2.gz XMBVMENMMOSDPA-CQSZACIVSA-N 0 3 283.318 2.181 20 30 CEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C1(C#N)CCC1 ZINC000134673696 334100017 /nfs/dbraw/zinc/10/00/17/334100017.db2.gz OXDJTHBIACXUAT-HZSPNIEDSA-N 0 3 277.412 2.163 20 30 CEEDHN C=CCCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000548064999 334137750 /nfs/dbraw/zinc/13/77/50/334137750.db2.gz KGHRDRZQFDVLBU-MRXNPFEDSA-N 0 3 287.407 2.376 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000549528873 334196244 /nfs/dbraw/zinc/19/62/44/334196244.db2.gz YVDQIYMYSXOUCD-BARDWOONSA-N 0 3 273.380 2.367 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCSC[C@@H](C)C1 ZINC000249131856 334328548 /nfs/dbraw/zinc/32/85/48/334328548.db2.gz YBGXJFHJWBNMRY-KBPBESRZSA-N 0 3 284.469 2.484 20 30 CEEDHN C=CCCCCCN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000249204366 334329987 /nfs/dbraw/zinc/32/99/87/334329987.db2.gz AVCNVEGGYWQJFI-GJZGRUSLSA-N 0 3 254.418 2.120 20 30 CEEDHN N#CC1(c2ccccn2)CCN(CC[C@H]2CCOC2)CC1 ZINC000554558726 334438281 /nfs/dbraw/zinc/43/82/81/334438281.db2.gz RFZZDDBPLUYUJO-HNNXBMFYSA-N 0 3 285.391 2.365 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@H](F)C2)CC1 ZINC000564652688 334515156 /nfs/dbraw/zinc/51/51/56/334515156.db2.gz HRRNIGNWAZEQLQ-GXTWGEPZSA-N 0 3 283.391 2.217 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@H]1CCC=CO1 ZINC000275771127 334794500 /nfs/dbraw/zinc/79/45/00/334794500.db2.gz HDUFOYFSLHKZKN-HNNXBMFYSA-N 0 3 257.333 2.481 20 30 CEEDHN C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)N(C)CCC#N ZINC000192964676 335329760 /nfs/dbraw/zinc/32/97/60/335329760.db2.gz XDVQWENWNWBEDX-XJKSGUPXSA-N 0 3 285.391 2.488 20 30 CEEDHN CC[C@H]1CN(C)CCN1Cc1ccc(CC#N)cc1 ZINC000581604051 336110377 /nfs/dbraw/zinc/11/03/77/336110377.db2.gz AEEBBTONUYKIDI-INIZCTEOSA-N 0 3 257.381 2.279 20 30 CEEDHN Cc1cc(CN[C@@H]2CCN(CC(F)F)C2)ccc1C#N ZINC000418139342 533720460 /nfs/dbraw/zinc/72/04/60/533720460.db2.gz ULXZLFRSJLQSKH-CQSZACIVSA-N 0 3 279.334 2.296 20 30 CEEDHN C[C@H](NCCc1ccn(C)n1)c1ccc(C#N)cc1F ZINC000355070698 533875037 /nfs/dbraw/zinc/87/50/37/533875037.db2.gz UAKOYTQTYJVFHR-NSHDSACASA-N 0 3 272.327 2.324 20 30 CEEDHN C[C@H]1OCC[C@H]1NCC(=O)NCC1CCCCC1 ZINC000330239977 534128491 /nfs/dbraw/zinc/12/84/91/534128491.db2.gz IMPJJDCBZKMNFJ-DGCLKSJQSA-N 0 3 254.374 2.290 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000336583071 534282520 /nfs/dbraw/zinc/28/25/20/534282520.db2.gz WHRXMDYWHUGJGV-NEPJUHHUSA-N 0 3 250.342 2.144 20 30 CEEDHN CC[C@@H](C)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000055066312 522126006 /nfs/dbraw/zinc/12/60/06/522126006.db2.gz OTCUPYSTSAIGNZ-CQSZACIVSA-N 0 3 257.381 2.474 20 30 CEEDHN COC[C@@H](NCc1ccc(C#N)cc1OC)C1CC1 ZINC000183427392 522359721 /nfs/dbraw/zinc/35/97/21/522359721.db2.gz VFWFTRWMZLJTNG-CQSZACIVSA-N 0 3 260.337 2.081 20 30 CEEDHN Cc1c([C@H](C)NCCOc2ccccc2C#N)cnn1C ZINC000183381793 525918206 /nfs/dbraw/zinc/91/82/06/525918206.db2.gz SDEHCEYLJCGYSD-LBPRGKRZSA-N 0 3 284.363 2.330 20 30 CEEDHN CC(C)(C)N1CCCN(C(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000336033176 526286969 /nfs/dbraw/zinc/28/69/69/526286969.db2.gz PBEWDQULNHVMGZ-KBPBESRZSA-N 0 3 292.427 2.194 20 30 CEEDHN N#Cc1ccc(CNCCc2nnc3n2CCCCC3)cc1 ZINC000067698163 526623962 /nfs/dbraw/zinc/62/39/62/526623962.db2.gz SCVLNWWKKPEIKH-UHFFFAOYSA-N 0 3 295.390 2.208 20 30 CEEDHN C#CCCN1C[C@@H](c2ccccc2)C[C@H](C(=O)OC)C1 ZINC000366881264 526729715 /nfs/dbraw/zinc/72/97/15/526729715.db2.gz PLPMPOOYMHQHGR-HOTGVXAUSA-N 0 3 271.360 2.288 20 30 CEEDHN C=CCOCCCN1CCN(c2ccc(O)cc2)CC1 ZINC000347961637 526756881 /nfs/dbraw/zinc/75/68/81/526756881.db2.gz AOZKTVAJZVHINO-UHFFFAOYSA-N 0 3 276.380 2.107 20 30 CEEDHN Cc1n[nH]c(C2CCN(Cc3ccccc3C#N)CC2)n1 ZINC000365118367 526782722 /nfs/dbraw/zinc/78/27/22/526782722.db2.gz QSCGVPILWIDRAX-UHFFFAOYSA-N 0 3 281.363 2.364 20 30 CEEDHN Cc1nnc(C2CCN(Cc3ccccc3C#N)CC2)[nH]1 ZINC000365118367 526782728 /nfs/dbraw/zinc/78/27/28/526782728.db2.gz QSCGVPILWIDRAX-UHFFFAOYSA-N 0 3 281.363 2.364 20 30 CEEDHN C=C(CNC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccccc1 ZINC000334927832 526869007 /nfs/dbraw/zinc/86/90/07/526869007.db2.gz HKTYXXSOFIUPEL-ZIAGYGMSSA-N 0 3 273.380 2.092 20 30 CEEDHN C=CCOc1ccccc1CN[C@H](CC)Cn1cncn1 ZINC000353428250 526952737 /nfs/dbraw/zinc/95/27/37/526952737.db2.gz QPVXGMQMMVDUOB-OAHLLOKOSA-N 0 3 286.379 2.411 20 30 CEEDHN C=CCCCCNC(=O)NC[C@@H]1CCCN1CC ZINC000353268205 527157040 /nfs/dbraw/zinc/15/70/40/527157040.db2.gz GBHWSZLCIVKCGO-ZDUSSCGKSA-N 0 3 253.390 2.126 20 30 CEEDHN Cn1cc(CN[C@H]2C[C@H](CO)c3ccccc32)cc1C#N ZINC000365149424 527222805 /nfs/dbraw/zinc/22/28/05/527222805.db2.gz XBYPIHFJFSKDIE-DYVFJYSZSA-N 0 3 281.359 2.207 20 30 CEEDHN C=CCc1cc(CN2CC[C@@H](OC)C2)cc(OC)c1O ZINC000353884387 527239681 /nfs/dbraw/zinc/23/96/81/527239681.db2.gz XGOWCDBNJFBBCH-CQSZACIVSA-N 0 3 277.364 2.350 20 30 CEEDHN C#C[C@H](NC(=O)C1CCN(Cc2cccnc2)CC1)C(C)C ZINC000366845664 527380768 /nfs/dbraw/zinc/38/07/68/527380768.db2.gz AEBXFFRAOVRMJN-KRWDZBQOSA-N 0 3 299.418 2.068 20 30 CEEDHN C=CCC[C@@H](O)CN[C@H](CC)c1c(C)nn(C)c1C ZINC000348054177 527457921 /nfs/dbraw/zinc/45/79/21/527457921.db2.gz VLJNWKLYOCGWQN-ZIAGYGMSSA-N 0 3 265.401 2.405 20 30 CEEDHN C=C[C@H](C)NC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000334848509 527565421 /nfs/dbraw/zinc/56/54/21/527565421.db2.gz USAACINZFQAMAH-VIFPVBQESA-N 0 3 263.316 2.167 20 30 CEEDHN CCC(=O)N1CC[C@@H](N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000125878019 528356151 /nfs/dbraw/zinc/35/61/51/528356151.db2.gz PQHJUIYNUJLHIS-IUODEOHRSA-N 0 3 271.364 2.220 20 30 CEEDHN CN(CCNCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000190734082 536387407 /nfs/dbraw/zinc/38/74/07/536387407.db2.gz CXPPVQRKFOECSN-UHFFFAOYSA-N 0 3 268.364 2.123 20 30 CEEDHN C[C@@H](CO)NN=C1CCCC[C@@H]1N1CCCCCC1 ZINC000749816705 574447596 /nfs/dbraw/zinc/44/75/96/574447596.db2.gz SOWUWSJHBYXCQN-ZFWWWQNUSA-N 0 3 267.417 2.131 20 30 CEEDHN C[C@@H](CO)NN=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000749820426 574447689 /nfs/dbraw/zinc/44/76/89/574447689.db2.gz DEHPKSMEQXROPZ-GOVYBVIMSA-N 0 3 273.380 2.254 20 30 CEEDHN C#CCOc1ccc(CNCc2cc(C)[nH]n2)cc1 ZINC000738431732 574451452 /nfs/dbraw/zinc/45/14/52/574451452.db2.gz VUOABJFGRLLKKI-UHFFFAOYSA-N 0 3 255.321 2.020 20 30 CEEDHN CCc1ccc([C@H](C)C(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000727953919 574459036 /nfs/dbraw/zinc/45/90/36/574459036.db2.gz QZGXZSAGQNTHNK-NHYWBVRUSA-N 0 3 284.359 2.340 20 30 CEEDHN C#Cc1cccc(N(C(=S)NCCN(C)C)C(C)C)c1 ZINC000728226954 574463023 /nfs/dbraw/zinc/46/30/23/574463023.db2.gz QVIWZAORPYFURR-UHFFFAOYSA-N 0 3 289.448 2.319 20 30 CEEDHN C#Cc1ccc(C(=O)N(CC(C)C)C2CCN(C)CC2)nc1 ZINC000728982596 574474341 /nfs/dbraw/zinc/47/43/41/574474341.db2.gz IHNJJHBGRPGNNI-UHFFFAOYSA-N 0 3 299.418 2.255 20 30 CEEDHN C=CCOCC(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000729889309 574494341 /nfs/dbraw/zinc/49/43/41/574494341.db2.gz NEYGICWTMSJXJL-AWEZNQCLSA-N 0 3 286.331 2.099 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc3c(c2)CCO3)CC1 ZINC000729977004 574497569 /nfs/dbraw/zinc/49/75/69/574497569.db2.gz IFJIPGZBFYXVDN-UHFFFAOYSA-N 0 3 286.375 2.002 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC2(Cl)Cl)CC1 ZINC000729975576 574497600 /nfs/dbraw/zinc/49/76/00/574497600.db2.gz PBMSERBMOCNDPU-LLVKDONJSA-N 0 3 291.222 2.337 20 30 CEEDHN C=C(CN(C)C)C(=O)NC[C@H](OC)c1cccc(Cl)c1 ZINC000764578253 574599211 /nfs/dbraw/zinc/59/92/11/574599211.db2.gz QLJHBVQGSITAKA-AWEZNQCLSA-N 0 3 296.798 2.262 20 30 CEEDHN C=CCN(CC1CCCCC1)C(=S)NCCN(C)C ZINC000732625113 574624788 /nfs/dbraw/zinc/62/47/88/574624788.db2.gz JLDITWUUVHZKDB-UHFFFAOYSA-N 0 3 283.485 2.491 20 30 CEEDHN C#CCCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000733341968 574665753 /nfs/dbraw/zinc/66/57/53/574665753.db2.gz ATEHQWLDEZFEEF-GDBMZVCRSA-N 0 3 285.391 2.144 20 30 CEEDHN C=CC[C@@H](NC(=O)N[C@H]1CCCN(C)C1)c1ccncc1 ZINC000734661275 574724735 /nfs/dbraw/zinc/72/47/35/574724735.db2.gz LAHZXGVFLPZPGS-LSDHHAIUSA-N 0 3 288.395 2.092 20 30 CEEDHN C=CC[C@@H](NC(=O)NC[C@@H]1CCCN1C)c1ccncc1 ZINC000734663145 574724796 /nfs/dbraw/zinc/72/47/96/574724796.db2.gz HNBVXYFDWUNNBQ-LSDHHAIUSA-N 0 3 288.395 2.092 20 30 CEEDHN C=CCNC(=O)N(CCC)CCN1CCCCCC1 ZINC000685195172 574797568 /nfs/dbraw/zinc/79/75/68/574797568.db2.gz BUTXAPDAMOBFKA-UHFFFAOYSA-N 0 3 267.417 2.470 20 30 CEEDHN C#CCCN1CCC(NC(=O)C[C@@H](C)CCC)CC1 ZINC000740738607 574967001 /nfs/dbraw/zinc/96/70/01/574967001.db2.gz ISRJGFGLOKMNKZ-AWEZNQCLSA-N 0 3 264.413 2.417 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2ccc(CC)cc2)CC1 ZINC000740737579 574967158 /nfs/dbraw/zinc/96/71/58/574967158.db2.gz RHJQPMUXTKINMI-UHFFFAOYSA-N 0 3 284.403 2.467 20 30 CEEDHN COCCOC[C@@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000742377283 575018495 /nfs/dbraw/zinc/01/84/95/575018495.db2.gz REVFXVVVKQIIAI-KGLIPLIRSA-N 0 3 292.379 2.119 20 30 CEEDHN COC(=O)N1CCC[C@H](N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000743473594 575104722 /nfs/dbraw/zinc/10/47/22/575104722.db2.gz DWZPBDMWMVQGQJ-DOMZBBRYSA-N 0 3 287.363 2.440 20 30 CEEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)COC)c1 ZINC000743476997 575104870 /nfs/dbraw/zinc/10/48/70/575104870.db2.gz ODDKHJJXSJZXNF-TZMCWYRMSA-N 0 3 262.353 2.492 20 30 CEEDHN CC(N=Nc1cnccn1)c1cccc(OCCN(C)C)c1 ZINC000743531188 575105762 /nfs/dbraw/zinc/10/57/62/575105762.db2.gz JILWZXRTBJTMHT-UHFFFAOYSA-N 0 3 299.378 2.253 20 30 CEEDHN CNC(=O)C(C#N)C(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000744036273 575112387 /nfs/dbraw/zinc/11/23/87/575112387.db2.gz XSISOKLQSMZXBT-PSASIEDQSA-N 0 3 298.264 2.264 20 30 CEEDHN CCCCCCCCN1CCN(C(=O)CN(C)C)CC1 ZINC000749797638 575234696 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C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1[nH]ccc1C ZINC001025227628 627386977 /nfs/dbraw/zinc/38/69/77/627386977.db2.gz AEHNOINLEMVUSA-HZPDHXFCSA-N 0 3 299.418 2.415 20 30 CEEDHN CCCC(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001018416475 627389387 /nfs/dbraw/zinc/38/93/87/627389387.db2.gz YMSTVOKYGRKLKW-AWEZNQCLSA-N 0 3 289.354 2.188 20 30 CEEDHN C=CC[C@H]1CCCN(CN2CC[C@H](CCOC)C2=O)C1 ZINC000902313702 634578607 /nfs/dbraw/zinc/57/86/07/634578607.db2.gz RSZLSIBAHMPOIJ-LSDHHAIUSA-N 0 3 280.412 2.117 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccoc2C)C1 ZINC001025332908 627638779 /nfs/dbraw/zinc/63/87/79/627638779.db2.gz WIJICKUBWNWZOL-DZGCQCFKSA-N 0 3 288.391 2.442 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(Cl)o2)C1 ZINC001025344841 627648396 /nfs/dbraw/zinc/64/83/96/627648396.db2.gz SGYIIAYQLXLWCH-NWDGAFQWSA-N 0 3 294.782 2.397 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C)nc(C)c2)C1 ZINC001025432972 627692269 /nfs/dbraw/zinc/69/22/69/627692269.db2.gz WMKQHUVGFQNKNO-CVEARBPZSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2[nH]c(C)cc2C)C1 ZINC001025457710 627703619 /nfs/dbraw/zinc/70/36/19/627703619.db2.gz DRTITZPMCREIMV-HUUCEWRRSA-N 0 3 287.407 2.095 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(CC)o2)C1 ZINC001025459358 627705422 /nfs/dbraw/zinc/70/54/22/627705422.db2.gz MHSGQJYGDUZCCD-KGLIPLIRSA-N 0 3 288.391 2.306 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc([C@H]2C[C@H]2C)o1 ZINC001025775205 627883126 /nfs/dbraw/zinc/88/31/26/627883126.db2.gz DSGVVQATTXEHCY-CRQFQMBKSA-N 0 3 286.375 2.249 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001019803638 627914699 /nfs/dbraw/zinc/91/46/99/627914699.db2.gz HYDGFEZPUGUPIP-LBPRGKRZSA-N 0 3 290.432 2.483 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[C@H](C)C1 ZINC001025954861 627979126 /nfs/dbraw/zinc/97/91/26/627979126.db2.gz HZDDSPAKOWWESZ-GRYWWWGRSA-N 0 3 262.397 2.045 20 30 CEEDHN C=CC[C@@H](CO)Nc1ccnc2ccc(OC)cc21 ZINC000893163548 628056543 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/nfs/dbraw/zinc/13/84/99/629138499.db2.gz ZNGUXKPJORGDMB-LBPRGKRZSA-N 0 3 272.348 2.404 20 30 CEEDHN C[C@@H]1COCC[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877477401 629166680 /nfs/dbraw/zinc/16/66/80/629166680.db2.gz CLVZTWKBRVNJBV-SKDRFNHKSA-N 0 3 265.744 2.121 20 30 CEEDHN C=C(CNC[C@H]1[C@@H](C(=O)OC)C1(F)F)c1ccccc1 ZINC000894206969 629215750 /nfs/dbraw/zinc/21/57/50/629215750.db2.gz QNJAJFDFZWOXNE-STQMWFEESA-N 0 3 281.302 2.344 20 30 CEEDHN CCN(C)c1ccc(C(C)=NN(C)CCOC)cc1 ZINC000794973882 629385491 /nfs/dbraw/zinc/38/54/91/629385491.db2.gz KKHZSGOGKSIYIU-UHFFFAOYSA-N 0 3 263.385 2.445 20 30 CEEDHN N#Cc1cc(CNCC[C@H](O)C(F)(F)F)cs1 ZINC000894465320 629477439 /nfs/dbraw/zinc/47/74/39/629477439.db2.gz LPAHPUKWSUXSDN-VIFPVBQESA-N 0 3 264.272 2.023 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)C(C)(C)c2ccc(C#N)cc2)CCN1C ZINC000928427374 629503278 /nfs/dbraw/zinc/50/32/78/629503278.db2.gz RNOOZWNLDJPUGD-IUODEOHRSA-N 0 3 285.391 2.045 20 30 CEEDHN C#C[C@H](C)N(C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894574814 629540909 /nfs/dbraw/zinc/54/09/09/629540909.db2.gz YJKLNTXJXNQBII-QWRGUYRKSA-N 0 3 290.354 2.488 20 30 CEEDHN N#Cc1ccc(CNCCO[C@@H]2CCCCO2)cc1F ZINC000894794305 629650713 /nfs/dbraw/zinc/65/07/13/629650713.db2.gz NRJDBOFVFXBRGO-OAHLLOKOSA-N 0 3 278.327 2.330 20 30 CEEDHN N#CCCNC(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000796279645 629832233 /nfs/dbraw/zinc/83/22/33/629832233.db2.gz DEOSBYOLIPLFGO-GVDBMIGSSA-N 0 3 297.402 2.284 20 30 CEEDHN C#CCNC(=O)CN1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000796433540 629902666 /nfs/dbraw/zinc/90/26/66/629902666.db2.gz FYMRAZQWICATMF-GOEBONIOSA-N 0 3 270.376 2.209 20 30 CEEDHN CC#CC[C@H](CO)NCc1cc(C)nc2c1CCCC2 ZINC000895131310 629937695 /nfs/dbraw/zinc/93/76/95/629937695.db2.gz HBVXERNHWGIGQB-OAHLLOKOSA-N 0 3 272.392 2.133 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000796632082 629949165 /nfs/dbraw/zinc/94/91/65/629949165.db2.gz VYDZBWRIJRCLPW-GJZGRUSLSA-N 0 3 297.358 2.307 20 30 CEEDHN Cn1ccc(CCC(=O)C(C#N)c2nc3ccccc3o2)n1 ZINC000796777100 629998928 /nfs/dbraw/zinc/99/89/28/629998928.db2.gz ZOACBCFHAGYSHN-LBPRGKRZSA-N 0 3 294.314 2.370 20 30 CEEDHN C#C[C@H]1CCCN(Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000895182427 630014819 /nfs/dbraw/zinc/01/48/19/630014819.db2.gz CYLHCZXTLLQNNW-NSHDSACASA-N 0 3 255.321 2.114 20 30 CEEDHN C=CC[C@@H]1CCCN(Cc2cnc3n2CCOC3)C1 ZINC000895337307 630121544 /nfs/dbraw/zinc/12/15/44/630121544.db2.gz IHBIIZJJWXBLKM-CYBMUJFWSA-N 0 3 261.369 2.201 20 30 CEEDHN C#CC1(O)CCN(Cc2cccc(OCC)c2)CC1 ZINC000895379662 630151141 /nfs/dbraw/zinc/15/11/41/630151141.db2.gz NCPAVMCPPKLSLF-UHFFFAOYSA-N 0 3 259.349 2.045 20 30 CEEDHN C[C@H](NC[C@@H](O)c1ccccc1)c1cc(C#N)ccn1 ZINC000902723067 634794081 /nfs/dbraw/zinc/79/40/81/634794081.db2.gz LBULTFZSBMOMJV-BLLLJJGKSA-N 0 3 267.332 2.337 20 30 CEEDHN C=CCCCCCNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000895605586 630275871 /nfs/dbraw/zinc/27/58/71/630275871.db2.gz QATPDGJWQZFJPQ-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN C[C@H](NC[C@H](O)c1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000902735125 634801757 /nfs/dbraw/zinc/80/17/57/634801757.db2.gz ZXPIFHMAGJSDRU-ZBEGNZNMSA-N 0 3 285.322 2.477 20 30 CEEDHN C#CCOc1ccc(CN2CCC(O)(CC#C)CC2)cc1 ZINC000895675094 630295297 /nfs/dbraw/zinc/29/52/97/630295297.db2.gz MENNGBCAZVPXPW-UHFFFAOYSA-N 0 3 283.371 2.049 20 30 CEEDHN CC(=O)N[C@@H](C)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797568377 630334427 /nfs/dbraw/zinc/33/44/27/630334427.db2.gz HTYVKMLCIJCTKD-WPRPVWTQSA-N 0 3 293.392 2.141 20 30 CEEDHN CSc1ccc(CNC2CSC2)cc1C#N ZINC000895776477 630341045 /nfs/dbraw/zinc/34/10/45/630341045.db2.gz FTBIHCWRWIHIPI-UHFFFAOYSA-N 0 3 250.392 2.485 20 30 CEEDHN C#CCN1CCC(Nc2ncnc3[nH]cc(CC)c32)CC1 ZINC000895811801 630357780 /nfs/dbraw/zinc/35/77/80/630357780.db2.gz WEJRUBNHTHBYAW-UHFFFAOYSA-N 0 3 283.379 2.030 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000895947586 630410912 /nfs/dbraw/zinc/41/09/12/630410912.db2.gz JZPNDQUVMGCGKL-KBPBESRZSA-N 0 3 279.428 2.467 20 30 CEEDHN COc1ccc([C@@H](NC(C)C)C(=O)N[C@H](C)CC#N)cc1 ZINC000895982364 630428247 /nfs/dbraw/zinc/42/82/47/630428247.db2.gz JTGGDDYDKCOQFX-IUODEOHRSA-N 0 3 289.379 2.153 20 30 CEEDHN C=C1CCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000896013751 630437176 /nfs/dbraw/zinc/43/71/76/630437176.db2.gz XBSZJPMQZUHPFL-OAHLLOKOSA-N 0 3 277.412 2.365 20 30 CEEDHN CCN1CCCN(C(=O)C2(C#N)CCCCC2)[C@H](C)C1 ZINC000320243632 630475097 /nfs/dbraw/zinc/47/50/97/630475097.db2.gz OIVHWCKBVSOQDA-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN CC(C)C#CC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000824386814 635418862 /nfs/dbraw/zinc/41/88/62/635418862.db2.gz NOKIRBJGECWJEW-UHFFFAOYSA-N 0 3 290.382 2.375 20 30 CEEDHN C#Cc1ccc(CN2CC[C@H](C(=O)OCC)C2)cc1 ZINC000896960626 630840701 /nfs/dbraw/zinc/84/07/01/630840701.db2.gz NNEODUKWIKWEOH-HNNXBMFYSA-N 0 3 257.333 2.053 20 30 CEEDHN CC1(C)CCN(CCNc2ncc(C#N)cc2[N+](=O)[O-])C1 ZINC000897247548 631015517 /nfs/dbraw/zinc/01/55/17/631015517.db2.gz ACMKSVMWAZMYOC-UHFFFAOYSA-N 0 3 289.339 2.005 20 30 CEEDHN C#C[C@H](NC[C@@H]1CCC2(CCCC2)O1)[C@H]1CCCO1 ZINC000801544236 631286398 /nfs/dbraw/zinc/28/63/98/631286398.db2.gz DOYRPOMBIWNSHN-SOUVJXGZSA-N 0 3 263.381 2.249 20 30 CEEDHN N#Cc1ccc(COC(=O)C2CCN(C3CC3)CC2)cc1 ZINC000801871495 631345108 /nfs/dbraw/zinc/34/51/08/631345108.db2.gz CPNZLNCKESXSID-UHFFFAOYSA-N 0 3 284.359 2.476 20 30 CEEDHN C[C@H](NC[C@@H](CO)Cc1ccco1)c1cc(C#N)ccn1 ZINC000902844221 634857043 /nfs/dbraw/zinc/85/70/43/634857043.db2.gz GPBSGVYQTISRLO-JSGCOSHPSA-N 0 3 285.347 2.048 20 30 CEEDHN Cc1cccc([C@@H]2CCCN2CCO[C@H](C)C#N)n1 ZINC000801929745 631359162 /nfs/dbraw/zinc/35/91/62/631359162.db2.gz YPZNBXYOHXVLGC-HIFRSBDPSA-N 0 3 259.353 2.456 20 30 CEEDHN C[C@H](NC[C@H](CO)c1ccccc1)c1cc(C#N)ccn1 ZINC000902833273 634851916 /nfs/dbraw/zinc/85/19/16/634851916.db2.gz YSZGBTBBWFNACH-XJKSGUPXSA-N 0 3 281.359 2.380 20 30 CEEDHN COc1ccc(OC)c([C@H](C)NCCO[C@@H](C)C#N)c1 ZINC000801937539 631361800 /nfs/dbraw/zinc/36/18/00/631361800.db2.gz PLGYOMFZBLRQCZ-RYUDHWBXSA-N 0 3 278.352 2.283 20 30 CEEDHN CCC(=O)N1C[C@@H](NCc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000987651108 631438578 /nfs/dbraw/zinc/43/85/78/631438578.db2.gz CSPIRBHKXSBYEQ-FZMZJTMJSA-N 0 3 289.354 2.186 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CC2(C)CCCC2)C1 ZINC000988770071 631686786 /nfs/dbraw/zinc/68/67/86/631686786.db2.gz GEJAHWKSZHDUNQ-KGLIPLIRSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc3c2CCCC3)C1 ZINC000988876880 631703545 /nfs/dbraw/zinc/70/35/45/631703545.db2.gz SDAVYJNTYBCJSX-GDBMZVCRSA-N 0 3 296.414 2.391 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)CCN1C ZINC000925311071 631770244 /nfs/dbraw/zinc/77/02/44/631770244.db2.gz CJAHPGVZEVBOEA-ZANVPECISA-N 0 3 292.770 2.426 20 30 CEEDHN C#C[C@@H](CC)NC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897554406 631775700 /nfs/dbraw/zinc/77/57/00/631775700.db2.gz CNNKJSARYQLJHF-GOEBONIOSA-N 0 3 288.391 2.262 20 30 CEEDHN C#C[C@H](CC)NC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897554405 631775879 /nfs/dbraw/zinc/77/58/79/631775879.db2.gz CNNKJSARYQLJHF-GDBMZVCRSA-N 0 3 288.391 2.262 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc(Cl)c2F)C1 ZINC000989380143 631802809 /nfs/dbraw/zinc/80/28/09/631802809.db2.gz LLOKYMCEWCDOMG-WDEREUQCSA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2CC)C1 ZINC000989384279 631803728 /nfs/dbraw/zinc/80/37/28/631803728.db2.gz NBQPBOQQTBKCDE-UKRRQHHQSA-N 0 3 270.376 2.075 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CCC(C)(CC(C)C)CC1 ZINC000808779322 632015703 /nfs/dbraw/zinc/01/57/03/632015703.db2.gz UFELLKJXMCQCEK-CQSZACIVSA-N 0 3 264.413 2.273 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2cnn(C(C)C)c2)CC1 ZINC000989466897 632180475 /nfs/dbraw/zinc/18/04/75/632180475.db2.gz FFOZDSHTUNHYSF-UHFFFAOYSA-N 0 3 290.411 2.188 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C=C)cc2)C1 ZINC000989473836 632182762 /nfs/dbraw/zinc/18/27/62/632182762.db2.gz PUHLKRMSZGJYKL-BBRMVZONSA-N 0 3 268.360 2.155 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc3ccncc3c2)C1 ZINC000989648886 632218707 /nfs/dbraw/zinc/21/87/07/632218707.db2.gz AHRQVVTVWGEPAI-SUMWQHHRSA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc3cnccc3c2)C1 ZINC000989651084 632218788 /nfs/dbraw/zinc/21/87/88/632218788.db2.gz ZUMCCNNEIVFYDC-CXAGYDPISA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc(C(F)F)c2)C1 ZINC000989695704 632225955 /nfs/dbraw/zinc/22/59/55/632225955.db2.gz CQVJKAHXQPIJKS-SMDDNHRTSA-N 0 3 292.329 2.450 20 30 CEEDHN C[C@@H](C#N)CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000810722024 632266247 /nfs/dbraw/zinc/26/62/47/632266247.db2.gz LRNUHYGFEFQFDH-LRDDRELGSA-N 0 3 295.402 2.350 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C[C@H]3C=CCC3)CCC[C@H]12 ZINC000989943679 632290305 /nfs/dbraw/zinc/29/03/05/632290305.db2.gz ZWHBZOGGFLHIRD-YQQAZPJKSA-N 0 3 272.392 2.089 20 30 CEEDHN CN(C)c1ccc(C=NNC[C@@H]2CCSC2)cc1 ZINC000811658587 632418259 /nfs/dbraw/zinc/41/82/59/632418259.db2.gz ZVBJSGJHPQQNSH-ZDUSSCGKSA-N 0 3 263.410 2.429 20 30 CEEDHN C#CCN(C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000812045766 632479062 /nfs/dbraw/zinc/47/90/62/632479062.db2.gz QCNITCDBIHPAAL-QGZVFWFLSA-N 0 3 299.418 2.488 20 30 CEEDHN C=CCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813107897 632624753 /nfs/dbraw/zinc/62/47/53/632624753.db2.gz YQYGZQYBDRHFIA-JTQLQIEISA-N 0 3 265.265 2.073 20 30 CEEDHN N#CC(C(=O)CCc1cncs1)c1ccccn1 ZINC000815907107 633077162 /nfs/dbraw/zinc/07/71/62/633077162.db2.gz RZCWUWPUXRTHFS-LLVKDONJSA-N 0 3 257.318 2.347 20 30 CEEDHN Cn1c2ccc(CN3CCC(CC#N)CC3)cc2oc1=O ZINC000816566792 633414227 /nfs/dbraw/zinc/41/42/27/633414227.db2.gz GVDZHBRFHWOJQC-UHFFFAOYSA-N 0 3 285.347 2.257 20 30 CEEDHN C[C@](O)(CNCc1ccc(C#N)c(F)c1)c1ccco1 ZINC000817408237 633648445 /nfs/dbraw/zinc/64/84/45/633648445.db2.gz GPFZGFCYJDWZEV-HNNXBMFYSA-N 0 3 274.295 2.288 20 30 CEEDHN CCN(CC#N)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900361607 633683225 /nfs/dbraw/zinc/68/32/25/633683225.db2.gz RMDDRRKSVDIAAU-UHFFFAOYSA-N 0 3 270.336 2.276 20 30 CEEDHN C=CC(C)(C)CC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000900659857 633796111 /nfs/dbraw/zinc/79/61/11/633796111.db2.gz ARJATMQIZWCCFK-ZDUSSCGKSA-N 0 3 250.386 2.141 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(-n2cccc2)cc1 ZINC000818584086 633951806 /nfs/dbraw/zinc/95/18/06/633951806.db2.gz CUYFUPVEONHZRR-UHFFFAOYSA-N 0 3 295.386 2.162 20 30 CEEDHN C#CCN(C)CCCNC(=O)CO[C@@H]1CCCC[C@H]1CC ZINC000818589280 633952806 /nfs/dbraw/zinc/95/28/06/633952806.db2.gz VFRKAECHOBTJOQ-HZPDHXFCSA-N 0 3 294.439 2.043 20 30 CEEDHN C#CCN(C)CCCNC(=O)CO[C@@H]1CCCC[C@@H]1CC ZINC000818589282 633953308 /nfs/dbraw/zinc/95/33/08/633953308.db2.gz VFRKAECHOBTJOQ-JKSUJKDBSA-N 0 3 294.439 2.043 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(OC(C)C)cc1 ZINC000818608962 633958508 /nfs/dbraw/zinc/95/85/08/633958508.db2.gz BLPNGBQBAVTORY-UHFFFAOYSA-N 0 3 288.391 2.159 20 30 CEEDHN C[C@H](NC[C@@H](O)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902794699 634836631 /nfs/dbraw/zinc/83/66/31/634836631.db2.gz YHQFQTRCOXFJDB-BBRMVZONSA-N 0 3 281.359 2.207 20 30 CEEDHN CCC(CC)[C@@H](O)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902799755 634839308 /nfs/dbraw/zinc/83/93/08/634839308.db2.gz GUJZNIUWXCDTFN-ABAIWWIYSA-N 0 3 261.369 2.401 20 30 CEEDHN COC[C@@H](N[C@H](C)c1cc(C#N)ccn1)C1CCOCC1 ZINC000903047689 634954952 /nfs/dbraw/zinc/95/49/52/634954952.db2.gz QDZHOJINMYTFEQ-MLGOLLRUSA-N 0 3 289.379 2.045 20 30 CEEDHN C[C@@H](NCC1(C2(O)CCC2)CC1)c1cc(C#N)ccn1 ZINC000903258109 635031533 /nfs/dbraw/zinc/03/15/33/635031533.db2.gz POXQPVRJPOKNEF-GFCCVEGCSA-N 0 3 271.364 2.299 20 30 CEEDHN CC[C@@H](N[C@@H]1COCC[C@H]1OC)c1ccc(C#N)cc1 ZINC000903297831 635045275 /nfs/dbraw/zinc/04/52/75/635045275.db2.gz YMCSWNZJNHENRH-BZUAXINKSA-N 0 3 274.364 2.403 20 30 CEEDHN CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000903299107 635046258 /nfs/dbraw/zinc/04/62/58/635046258.db2.gz DXSIXSUIEJXNMO-APHBMKBZSA-N 0 3 290.363 2.043 20 30 CEEDHN C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1O)c1cc(C#N)ccn1 ZINC000903442161 635128098 /nfs/dbraw/zinc/12/80/98/635128098.db2.gz KXZKHVAWQHQCPI-SSKCKEOISA-N 0 3 279.343 2.262 20 30 CEEDHN C#CCNC(=O)CN1CC(C)(C)C[C@H]1c1ccccc1 ZINC000823636702 635239108 /nfs/dbraw/zinc/23/91/08/635239108.db2.gz DUDXSNPYODWPHS-HNNXBMFYSA-N 0 3 270.376 2.209 20 30 CEEDHN CCCCN([O-])C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000904212889 635521873 /nfs/dbraw/zinc/52/18/73/635521873.db2.gz XBSHIZJQQCYPFS-CYBMUJFWSA-N 0 3 254.374 2.411 20 30 CEEDHN CCCCN([O-])C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000904212889 635521875 /nfs/dbraw/zinc/52/18/75/635521875.db2.gz XBSHIZJQQCYPFS-CYBMUJFWSA-N 0 3 254.374 2.411 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2cnc3ccccn23)CC1 ZINC000825119783 635573550 /nfs/dbraw/zinc/57/35/50/635573550.db2.gz DWYCZGDNYMYCSY-UHFFFAOYSA-N 0 3 299.378 2.106 20 30 CEEDHN C=CC(C)(C)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000904514424 635655600 /nfs/dbraw/zinc/65/56/00/635655600.db2.gz PCDWCUOIDQBHON-UHFFFAOYSA-N 0 3 275.352 2.255 20 30 CEEDHN C=CCCc1noc(-c2ccc3n2CCN[C@H]3C)n1 ZINC000904734457 635716705 /nfs/dbraw/zinc/71/67/05/635716705.db2.gz MQCMPCVVLCFVKJ-JTQLQIEISA-N 0 3 258.325 2.321 20 30 CEEDHN Cc1c(C#N)c(=O)n(C)cc1-c1cc(CN(C)C)ccc1F ZINC000904806126 635739504 /nfs/dbraw/zinc/73/95/04/635739504.db2.gz RQUFOIWMXXJRLX-UHFFFAOYSA-N 0 3 299.349 2.433 20 30 CEEDHN CC1/C(=C/c2c(Cl)nc(Cl)n2C)C(=O)c2ncnn21 ZINC000905079304 635796348 /nfs/dbraw/zinc/79/63/48/635796348.db2.gz ANNOBLMKUMAYHM-LPHWOVDOSA-N 0 3 298.133 2.159 20 30 CEEDHN COc1cccc(OC)c1/C=C1/C(=O)c2ncnn2C1C ZINC000905085859 635800239 /nfs/dbraw/zinc/80/02/39/635800239.db2.gz PNIIUYUKZCCYNQ-YIXGCBLDSA-N 0 3 285.303 2.136 20 30 CEEDHN CC1/C(=C/c2ccc3c(c2)CCN3C)C(=O)c2ncnn21 ZINC000905086032 635800679 /nfs/dbraw/zinc/80/06/79/635800679.db2.gz QRSYYRZMOKIIQR-GARZTLJTSA-N 0 3 280.331 2.111 20 30 CEEDHN CC1/C(=C\c2c(C3CCC3)cnn2C)C(=O)c2ncnn21 ZINC000905086715 635800761 /nfs/dbraw/zinc/80/07/61/635800761.db2.gz UBUSHWBFMJTQFL-CAXXOGMASA-N 0 3 283.335 2.120 20 30 CEEDHN C[C@@](O)(CN[C@H]1CCc2cc(C#N)ccc21)C(F)F ZINC000905236032 636189442 /nfs/dbraw/zinc/18/94/42/636189442.db2.gz DEDJEAREKYBCDI-GXTWGEPZSA-N 0 3 266.291 2.151 20 30 CEEDHN C#Cc1cnc(NC[C@@H](c2ccc(F)cc2)N(C)C)nc1 ZINC000827426531 636318459 /nfs/dbraw/zinc/31/84/59/636318459.db2.gz TZLFMGVRERWYMN-HNNXBMFYSA-N 0 3 284.338 2.312 20 30 CEEDHN C#C[C@H](NCc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000827570926 636357287 /nfs/dbraw/zinc/35/72/87/636357287.db2.gz UZQZLJHLZOXJRC-HNNXBMFYSA-N 0 3 274.320 2.113 20 30 CEEDHN C#Cc1cnc(N[C@H]2CCN(C)[C@H]2c2ccccc2)nc1 ZINC000827821799 636434477 /nfs/dbraw/zinc/43/44/77/636434477.db2.gz WICMDUQQCAJQRE-HOTGVXAUSA-N 0 3 278.359 2.315 20 30 CEEDHN C[C@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)C(C)(C)C ZINC000905817761 636485805 /nfs/dbraw/zinc/48/58/05/636485805.db2.gz SWRZWBMKOUYUJG-BXUZGUMPSA-N 0 3 273.380 2.356 20 30 CEEDHN N#Cc1ccc([C@H](NCC[C@@H]2C[C@H]2C2CC2)C(N)=O)cc1 ZINC000905845275 636504300 /nfs/dbraw/zinc/50/43/00/636504300.db2.gz GPHMLGJOQGBDSA-PMPSAXMXSA-N 0 3 283.375 2.110 20 30 CEEDHN C=CCN1CC[C@@H](N[C@@H](C)COCC2CCCCC2)C1=O ZINC000905856524 636510683 /nfs/dbraw/zinc/51/06/83/636510683.db2.gz DKIXCIIPFMYWNS-GOEBONIOSA-N 0 3 294.439 2.348 20 30 CEEDHN C[C@@H](NCC[S@](=O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000905906925 636518614 /nfs/dbraw/zinc/51/86/14/636518614.db2.gz UGAGBNSCKNJVBM-HOGDKLEQSA-N 0 3 290.310 2.477 20 30 CEEDHN CC(C)(C(=O)NCc1cccc(C#N)c1)N1CCCCC1 ZINC000905965027 636538728 /nfs/dbraw/zinc/53/87/28/636538728.db2.gz CNILCTPOLGOKEG-UHFFFAOYSA-N 0 3 285.391 2.439 20 30 CEEDHN C[C@H]1CCCN1CCNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000828840311 636696527 /nfs/dbraw/zinc/69/65/27/636696527.db2.gz OTTLDJRBIOVVNV-XJKSGUPXSA-N 0 3 275.396 2.061 20 30 CEEDHN C[C@H](CNC(=O)c1ccsc1C#N)N1CCC(C)CC1 ZINC000906429895 636743551 /nfs/dbraw/zinc/74/35/51/636743551.db2.gz NJYWDMFRYMOSES-GFCCVEGCSA-N 0 3 291.420 2.470 20 30 CEEDHN C#C[C@H](N[C@@H]1C[C@H]1c1cccc(F)c1)[C@H]1CCCO1 ZINC000906588824 636788825 /nfs/dbraw/zinc/78/88/25/636788825.db2.gz TZCGAWRVRNRBIJ-CAOSSQGBSA-N 0 3 259.324 2.452 20 30 CEEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)NC(C)(C)CC)C1 ZINC000829774264 636926718 /nfs/dbraw/zinc/92/67/18/636926718.db2.gz OGIPRTJUGKGDMM-KGLIPLIRSA-N 0 3 264.413 2.415 20 30 CEEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)NCCCCC)C1 ZINC000829773698 636926767 /nfs/dbraw/zinc/92/67/67/636926767.db2.gz IHYXJDONGNYGQO-LSDHHAIUSA-N 0 3 264.413 2.417 20 30 CEEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)NCCc2ccccc2)C1 ZINC000829775038 636928183 /nfs/dbraw/zinc/92/81/83/636928183.db2.gz XMMYCLWWIMEAAX-FUHWJXTLSA-N 0 3 298.430 2.469 20 30 CEEDHN C#CC[C@@H]1CCCN([C@@H](CC(C)C)C(=O)OC)C1 ZINC000829815869 636937753 /nfs/dbraw/zinc/93/77/53/636937753.db2.gz VBUPQJJEZRBTNB-KGLIPLIRSA-N 0 3 251.370 2.309 20 30 CEEDHN C=C(Cl)CNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000830043047 636974210 /nfs/dbraw/zinc/97/42/10/636974210.db2.gz NUWALVXQBLHUGP-JTQLQIEISA-N 0 3 288.178 2.302 20 30 CEEDHN CC1(C)CCC[C@H]1[C@H]1CCN(CC(=O)NCCC#N)C1 ZINC000830169868 636998188 /nfs/dbraw/zinc/99/81/88/636998188.db2.gz DNWRJTRYBBYGPK-KBPBESRZSA-N 0 3 277.412 2.164 20 30 CEEDHN C[C@@H](C#N)OCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000830172574 636999379 /nfs/dbraw/zinc/99/93/79/636999379.db2.gz DRGQJWYWSKEQEH-QWRGUYRKSA-N 0 3 263.297 2.174 20 30 CEEDHN C#CC1CCN([C@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000830311081 637032456 /nfs/dbraw/zinc/03/24/56/637032456.db2.gz CNZQIXZRWGKPRS-OAHLLOKOSA-N 0 3 296.414 2.305 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000876527477 650304629 /nfs/dbraw/zinc/30/46/29/650304629.db2.gz HFZHKVCZKHLDOJ-LBPRGKRZSA-N 0 3 279.771 2.453 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccsc1C#N ZINC000907849934 637140301 /nfs/dbraw/zinc/14/03/01/637140301.db2.gz CENFUTMFXKIJIL-ZDUSSCGKSA-N 0 3 291.420 2.470 20 30 CEEDHN O=C(C#Cc1cccs1)NC[C@@H]1CCCCN1C1CC1 ZINC000831158642 637242340 /nfs/dbraw/zinc/24/23/40/637242340.db2.gz KRYYXCWXHSIHRT-AWEZNQCLSA-N 0 3 288.416 2.233 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N(C)C(C)=O)cc1 ZINC000876551764 650321563 /nfs/dbraw/zinc/32/15/63/650321563.db2.gz VZKOLOCZCWWTLF-ZDUSSCGKSA-N 0 3 295.770 2.078 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccccc1OC ZINC000876557584 650326383 /nfs/dbraw/zinc/32/63/83/650326383.db2.gz ZUBRUBWVVWDFGS-PWSUYJOCSA-N 0 3 282.771 2.342 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)Oc1ccccc1 ZINC000876605535 650356113 /nfs/dbraw/zinc/35/61/13/650356113.db2.gz XCWFHPMJXVYNNY-YPMHNXCESA-N 0 3 282.771 2.040 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)C1Cc2ccccc2C1 ZINC000876614428 650359826 /nfs/dbraw/zinc/35/98/26/650359826.db2.gz NCSYAXQWSYVFBP-AWEZNQCLSA-N 0 3 278.783 2.082 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2ccc(C)cc21 ZINC000876630625 650367637 /nfs/dbraw/zinc/36/76/37/650367637.db2.gz GKRBNCWLLXIDHG-LBPRGKRZSA-N 0 3 264.756 2.354 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCOc2ccccc21 ZINC000876633283 650368397 /nfs/dbraw/zinc/36/83/97/650368397.db2.gz QFXBDGLSRJQWNR-DGCLKSJQSA-N 0 3 294.782 2.139 20 30 CEEDHN CCN1CCCN(C(=O)c2cscc2C#N)[C@H](C)C1 ZINC000910270388 637965559 /nfs/dbraw/zinc/96/55/59/637965559.db2.gz LSQYXROKXABSDT-LLVKDONJSA-N 0 3 277.393 2.176 20 30 CEEDHN CN(C)c1ccc(/C=C\C=NN2CCOCC2)cc1 ZINC000834918226 637988362 /nfs/dbraw/zinc/98/83/62/637988362.db2.gz UMAPCVSSJMYAGC-IGCRCVNYSA-N 0 3 259.353 2.084 20 30 CEEDHN CC[C@@H](CC(F)(F)F)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000835058827 638043317 /nfs/dbraw/zinc/04/33/17/638043317.db2.gz UODUMPOFKJUYQW-VHSXEESVSA-N 0 3 290.285 2.296 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cnc(Cl)c(C)c1 ZINC000876664859 650387127 /nfs/dbraw/zinc/38/71/27/650387127.db2.gz HLHJLZIOMSRZJP-SECBINFHSA-N 0 3 274.151 2.452 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccccc1CC ZINC000876676333 650394815 /nfs/dbraw/zinc/39/48/15/650394815.db2.gz VVJCGWYTZGFSEV-ZDUSSCGKSA-N 0 3 266.772 2.335 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)Oc1cccc(C)c1 ZINC000876682575 650397369 /nfs/dbraw/zinc/39/73/69/650397369.db2.gz KAIBKMMVPKAEIG-JSGCOSHPSA-N 0 3 296.798 2.348 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(C(=O)OC)c1 ZINC000876688364 650401185 /nfs/dbraw/zinc/40/11/85/650401185.db2.gz XFIMGNPEAGNZDA-LBPRGKRZSA-N 0 3 296.754 2.190 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCC3(F)F)CCC[C@H]12 ZINC000991301176 638237576 /nfs/dbraw/zinc/23/75/76/638237576.db2.gz PYYDBLDGWIDBFA-SGMGOOAPSA-N 0 3 284.350 2.331 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCS[C@@H](C(C)C)C1 ZINC000876698490 650404825 /nfs/dbraw/zinc/40/48/25/650404825.db2.gz JVRGVYNFKYLRIU-GHMZBOCLSA-N 0 3 276.833 2.056 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000876702776 650406344 /nfs/dbraw/zinc/40/63/44/650406344.db2.gz FCFSBYNEAGXPKK-VXGBXAGGSA-N 0 3 288.819 2.168 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N(C)C)cc1 ZINC000876706810 650407218 /nfs/dbraw/zinc/40/72/18/650407218.db2.gz HLVMPNLXOVTZGS-LBPRGKRZSA-N 0 3 267.760 2.161 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H](C)C3CCC3)CCC[C@@H]12 ZINC000991330707 638297655 /nfs/dbraw/zinc/29/76/55/638297655.db2.gz KHFVQASOMXWTJT-YSVLISHTSA-N 0 3 274.408 2.169 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccccc1OC ZINC000912001141 638513103 /nfs/dbraw/zinc/51/31/03/638513103.db2.gz MYWGJYPHQOBBCH-CQSZACIVSA-N 0 3 276.380 2.337 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccc(F)cc1 ZINC000912029840 638517899 /nfs/dbraw/zinc/51/78/99/638517899.db2.gz QLUNNUJLCQQWKZ-CQSZACIVSA-N 0 3 264.344 2.468 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000912050207 638535698 /nfs/dbraw/zinc/53/56/98/638535698.db2.gz QRQZUXNFDLHJFW-YPMHNXCESA-N 0 3 276.384 2.476 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1sccc1C ZINC000912258695 638618758 /nfs/dbraw/zinc/61/87/58/638618758.db2.gz KYJCYLJOZFKPEM-NSHDSACASA-N 0 3 252.383 2.356 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](c1cccnc1)C(C)C ZINC000876778466 650429367 /nfs/dbraw/zinc/42/93/67/650429367.db2.gz FZAQJMPWJDBVCX-UONOGXRCSA-N 0 3 295.814 2.407 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCSC(C)(C)C ZINC000912437498 638685826 /nfs/dbraw/zinc/68/58/26/638685826.db2.gz ANQGDLYSZLYDTB-NSHDSACASA-N 0 3 258.431 2.318 20 30 CEEDHN CCCCCCCC[C@H](N)C(=O)NCc1ccnn1C ZINC000912475117 638704565 /nfs/dbraw/zinc/70/45/65/638704565.db2.gz FFCBLDFXKQVEOY-AWEZNQCLSA-N 0 3 280.416 2.114 20 30 CEEDHN C#CCCCCCCN1CCN2C(=O)OCC[C@@H]2C1 ZINC000876816693 650445168 /nfs/dbraw/zinc/44/51/68/650445168.db2.gz OKTALFGGRGORIK-CQSZACIVSA-N 0 3 264.369 2.097 20 30 CEEDHN CC(C)(C)C#CC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000876846466 650457304 /nfs/dbraw/zinc/45/73/04/650457304.db2.gz RJYQENVSOUKPFY-HNNXBMFYSA-N 0 3 270.376 2.039 20 30 CEEDHN C#Cc1cccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC000837105585 639052852 /nfs/dbraw/zinc/05/28/52/639052852.db2.gz QJAMBHIEVMAKAR-ZIAGYGMSSA-N 0 3 270.376 2.157 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2c1cccc2F ZINC000876881602 650471563 /nfs/dbraw/zinc/47/15/63/650471563.db2.gz KUOSTKMVKYMSRG-LLVKDONJSA-N 0 3 268.719 2.185 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)c1ccc(OC)cc1OC ZINC000876886241 650473857 /nfs/dbraw/zinc/47/38/57/650473857.db2.gz WOWINGCTLIPFFZ-LLVKDONJSA-N 0 3 298.770 2.137 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](CC)c1ccncc1 ZINC000876886286 650474137 /nfs/dbraw/zinc/47/41/37/650474137.db2.gz UWXIOLNBJRFSGI-STQMWFEESA-N 0 3 281.787 2.461 20 30 CEEDHN CN(C)CCN(Cc1ccccc1F)C(=O)C#CC1CC1 ZINC000837362007 639202210 /nfs/dbraw/zinc/20/22/10/639202210.db2.gz IJWOXJOIVMNVMJ-UHFFFAOYSA-N 0 3 288.366 2.129 20 30 CEEDHN CN(C)CCN(Cc1cccs1)C(=O)C#CC1CC1 ZINC000837459735 639239020 /nfs/dbraw/zinc/23/90/20/639239020.db2.gz QXUYMRRVDXIPSR-UHFFFAOYSA-N 0 3 276.405 2.052 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1c(C)noc1C1CC1 ZINC000876905347 650480570 /nfs/dbraw/zinc/48/05/70/650480570.db2.gz GGNRHRFQPBJDOR-VIFPVBQESA-N 0 3 269.732 2.269 20 30 CEEDHN CN(CCOC(=O)C1(C#N)CCC1)Cc1ccccc1 ZINC000837532766 639269518 /nfs/dbraw/zinc/26/95/18/639269518.db2.gz PLMIVQIQYNCFEV-UHFFFAOYSA-N 0 3 272.348 2.355 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](CCF)C1 ZINC000876968431 650511767 /nfs/dbraw/zinc/51/17/67/650511767.db2.gz IGBMKNPSQXGZND-WDEREUQCSA-N 0 3 262.756 2.055 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@]1(C)CC1(F)F ZINC000876968944 650511948 /nfs/dbraw/zinc/51/19/48/650511948.db2.gz VFGUWFYXWOOCNZ-WCBMZHEXSA-N 0 3 266.719 2.008 20 30 CEEDHN C=C(Cl)CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000841333050 639740997 /nfs/dbraw/zinc/74/09/97/639740997.db2.gz UNODKKBKMSCUDX-UHFFFAOYSA-N 0 3 251.717 2.164 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1=COCCC1 ZINC000173901230 639880226 /nfs/dbraw/zinc/88/02/26/639880226.db2.gz ZDQQEMAFGHSGPH-GFCCVEGCSA-N 0 3 281.315 2.444 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3cccn3CC)CCC[C@H]12 ZINC000992481703 640118062 /nfs/dbraw/zinc/11/80/62/640118062.db2.gz BWJNVKSOQUECPF-RDJZCZTQSA-N 0 3 287.407 2.421 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C3CCC=CCC3)CCC[C@H]12 ZINC000992492915 640138068 /nfs/dbraw/zinc/13/80/68/640138068.db2.gz IEUZQCBPBPFSKE-FUHWJXTLSA-N 0 3 286.419 2.479 20 30 CEEDHN N#Cc1cnc(Cl)c(CNC[C@H]2CCC[C@H](O)C2)c1 ZINC000877059364 650553453 /nfs/dbraw/zinc/55/34/53/650553453.db2.gz WASVBUMHCBCQGO-GWCFXTLKSA-N 0 3 279.771 2.247 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(F)cc2)[C@H]1C ZINC000992975607 640388744 /nfs/dbraw/zinc/38/87/44/640388744.db2.gz YEBJLJQNHLTJOW-CJNGLKHVSA-N 0 3 288.366 2.432 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2cccs2)[C@H]1C ZINC000992983239 640392342 /nfs/dbraw/zinc/39/23/42/640392342.db2.gz OBJPXNJYZZUPIW-HIFRSBDPSA-N 0 3 290.432 2.283 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(C)o2)[C@H]1C ZINC000993003158 640398597 /nfs/dbraw/zinc/39/85/97/640398597.db2.gz KAHHSRULBGICDX-KGLIPLIRSA-N 0 3 274.364 2.194 20 30 CEEDHN C#Cc1ccc(CN2C[C@@H](C)N(CCOC)[C@@H](C)C2)cc1 ZINC000843426538 640425189 /nfs/dbraw/zinc/42/51/89/640425189.db2.gz YXIUSSZPCXVQBP-IYBDPMFKSA-N 0 3 286.419 2.209 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cncs2)[C@@H]1C ZINC000993120717 640459696 /nfs/dbraw/zinc/45/96/96/640459696.db2.gz XEZVHRWNRDPFQZ-NWDGAFQWSA-N 0 3 279.409 2.302 20 30 CEEDHN C[C@@H](C[C@@H](O)c1ccco1)NCc1cccc(C#N)n1 ZINC000877131191 650587482 /nfs/dbraw/zinc/58/74/82/650587482.db2.gz XGRYDPMTSQPERC-SMDDNHRTSA-N 0 3 271.320 2.148 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cc3ccccc3n2C)C1 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C=CCOCCN1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880188419 651398502 /nfs/dbraw/zinc/39/85/02/651398502.db2.gz DRLUZGATCBXOTN-HOTGVXAUSA-N 0 3 258.365 2.152 20 30 CEEDHN Cc1cc(F)c(C#N)cc1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000880994890 651576346 /nfs/dbraw/zinc/57/63/46/651576346.db2.gz WUDHTERZNYUIEI-GFCCVEGCSA-N 0 3 290.342 2.222 20 30 CEEDHN CC(C)(C)[C@@H](N)c1cn(Cc2ccc(OCC#N)cc2)nn1 ZINC000881284988 651663552 /nfs/dbraw/zinc/66/35/52/651663552.db2.gz CXHKWAKVWPARIO-HNNXBMFYSA-N 0 3 299.378 2.275 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)C2CC2)CCN1Cc1cccc(C#N)c1 ZINC000946957546 652335084 /nfs/dbraw/zinc/33/50/84/652335084.db2.gz RNJRIXCGCMNROH-DYVFJYSZSA-N 0 3 297.402 2.437 20 30 CEEDHN C=CCC[C@@H](Cc1ccccc1)NCc1cnn(C)n1 ZINC000883222318 652404525 /nfs/dbraw/zinc/40/45/25/652404525.db2.gz RGOAWDGLBUIHPG-HNNXBMFYSA-N 0 3 270.380 2.482 20 30 CEEDHN COC[C@H](NCc1cccc(C#N)c1F)[C@H]1CCCOC1 ZINC000883220833 652404544 /nfs/dbraw/zinc/40/45/44/652404544.db2.gz QFUTZWKBNAMBTC-GJZGRUSLSA-N 0 3 292.354 2.229 20 30 CEEDHN COC[C@@H](NCc1cccc(C#N)c1F)[C@@H]1CCCOC1 ZINC000883220834 652404554 /nfs/dbraw/zinc/40/45/54/652404554.db2.gz QFUTZWKBNAMBTC-HUUCEWRRSA-N 0 3 292.354 2.229 20 30 CEEDHN COC[C@@H](NCc1cccc(C#N)c1F)[C@H]1CCCOC1 ZINC000883220835 652404724 /nfs/dbraw/zinc/40/47/24/652404724.db2.gz QFUTZWKBNAMBTC-LSDHHAIUSA-N 0 3 292.354 2.229 20 30 CEEDHN N#Cc1cccc(CNC[C@@H](O)C(F)(F)C(F)(F)F)c1 ZINC000883366621 652445902 /nfs/dbraw/zinc/44/59/02/652445902.db2.gz XEOYGSUDHLYJRF-SNVBAGLBSA-N 0 3 294.223 2.206 20 30 CEEDHN Cc1ccc(CN(C)C(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1 ZINC000884052676 652665437 /nfs/dbraw/zinc/66/54/37/652665437.db2.gz XKCKVKVNAAHZQJ-PQUAAJSLSA-N 0 3 297.402 2.093 20 30 CEEDHN C[C@@H](c1ccccc1)N(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884057938 652675323 /nfs/dbraw/zinc/67/53/23/652675323.db2.gz VWJASCQUMUBYDP-VADGTKANSA-N 0 3 297.402 2.345 20 30 CEEDHN CC[C@@H](C)CN(CC)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884167431 652738055 /nfs/dbraw/zinc/73/80/55/652738055.db2.gz DOGMOQAVWCSIQE-ILTLLKDXSA-N 0 3 277.412 2.020 20 30 CEEDHN CC(C)CC(C)(C)CNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884170988 652740566 /nfs/dbraw/zinc/74/05/66/652740566.db2.gz KMFGHUFUGRLYDC-XOYHFGRZSA-N 0 3 291.439 2.314 20 30 CEEDHN C=CC(C)(C)CC(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000884271066 652775116 /nfs/dbraw/zinc/77/51/16/652775116.db2.gz XFESBFOKTZQFIO-UHFFFAOYSA-N 0 3 299.378 2.471 20 30 CEEDHN C#CCOc1ccccc1CNCCC(=O)NC(C)(C)C ZINC000134593795 652858259 /nfs/dbraw/zinc/85/82/59/652858259.db2.gz RJIJSKGSMQOVID-UHFFFAOYSA-N 0 3 288.391 2.093 20 30 CEEDHN C#CCN1CCC(C)(CNC(=O)C2(C)CCC2)CC1 ZINC001270898988 805665903 /nfs/dbraw/zinc/66/59/03/805665903.db2.gz AZSCJTZQEACMSD-UHFFFAOYSA-N 0 3 262.397 2.028 20 30 CEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2cccnc2)C1 ZINC001270932940 805692418 /nfs/dbraw/zinc/69/24/18/805692418.db2.gz REORXICYIZSGTH-INIZCTEOSA-N 0 3 273.380 2.100 20 30 CEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2oc(C)nc2C)C1 ZINC001270949549 805696459 /nfs/dbraw/zinc/69/64/59/805696459.db2.gz GROYLEAWLGPSLO-MRXNPFEDSA-N 0 3 291.395 2.309 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cocc2C)[C@H]1CC ZINC001087687764 805770925 /nfs/dbraw/zinc/77/09/25/805770925.db2.gz XQVGKYUABMXFKG-UONOGXRCSA-N 0 3 262.353 2.357 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC3(C)C)C[C@@H]2C1 ZINC001088075295 805909630 /nfs/dbraw/zinc/90/96/30/805909630.db2.gz CQYJQSFJWLUAKV-PMPSAXMXSA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccoc3C3CC3)C[C@@H]2C1 ZINC001088082197 805917830 /nfs/dbraw/zinc/91/78/30/805917830.db2.gz AFGKNJOOXXMNAM-CABCVRRESA-N 0 3 298.386 2.184 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cc[nH]n2)C1 ZINC001088269499 806070770 /nfs/dbraw/zinc/07/07/70/806070770.db2.gz MCKRWSDLGPUFNF-GFCCVEGCSA-N 0 3 296.802 2.137 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ccn[nH]2)C1 ZINC001088269499 806070780 /nfs/dbraw/zinc/07/07/80/806070780.db2.gz MCKRWSDLGPUFNF-GFCCVEGCSA-N 0 3 296.802 2.137 20 30 CEEDHN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC ZINC001272003614 806226359 /nfs/dbraw/zinc/22/63/59/806226359.db2.gz GMHOUKJHOKVCSO-GJZGRUSLSA-N 0 3 262.397 2.265 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C2(c3ccccn3)CC2)[C@H]1C ZINC001088566155 806431263 /nfs/dbraw/zinc/43/12/63/806431263.db2.gz ZCBFBSKGWNBGBO-CABCVRRESA-N 0 3 299.418 2.268 20 30 CEEDHN CC/C(C)=C\C(=O)NCCNCc1cccc(C#N)c1 ZINC001126751681 806514962 /nfs/dbraw/zinc/51/49/62/806514962.db2.gz HKXBJHNJXQSJGE-LCYFTJDESA-N 0 3 271.364 2.120 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCC(F)(F)C2)[C@H]1C ZINC001088609425 806531579 /nfs/dbraw/zinc/53/15/79/806531579.db2.gz TVFROZRZNRJCSA-WOPDTQHZSA-N 0 3 272.339 2.187 20 30 CEEDHN C=CCC1(C(=O)N(C)CCN(C)C[C@H](C)OC)CCC1 ZINC001272104904 806551764 /nfs/dbraw/zinc/55/17/64/806551764.db2.gz JMGGJUKIEHXXEQ-AWEZNQCLSA-N 0 3 282.428 2.158 20 30 CEEDHN C=CCC1(C(=O)N(C)CCN(C)C[C@@H](C)OC)CCC1 ZINC001272104905 806551818 /nfs/dbraw/zinc/55/18/18/806551818.db2.gz JMGGJUKIEHXXEQ-CQSZACIVSA-N 0 3 282.428 2.158 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1ccc(F)c(OC)c1 ZINC001272118395 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ZINC001266275078 802346725 /nfs/dbraw/zinc/34/67/25/802346725.db2.gz MFZHNRHYQFVLNV-UHFFFAOYSA-N 0 3 275.396 2.227 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2scnc2C2CC2)C1 ZINC001032036700 808255925 /nfs/dbraw/zinc/25/59/25/808255925.db2.gz SOQOMAIXYPTEHW-UHFFFAOYSA-N 0 3 291.420 2.258 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2oc(C3CC3)nc2C)C1 ZINC001032036910 808255952 /nfs/dbraw/zinc/25/59/52/808255952.db2.gz CGDCOOCRIUAIAX-UHFFFAOYSA-N 0 3 289.379 2.098 20 30 CEEDHN C=CCOCCN(C)CCNC(=O)[C@@H]1CCCC[C@H]1C ZINC001266313288 802427216 /nfs/dbraw/zinc/42/72/16/802427216.db2.gz IPXMSPPRBLFDDX-HUUCEWRRSA-N 0 3 282.428 2.063 20 30 CEEDHN CN1CC=C(Nc2cccc(C#CC(C)(C)O)c2)CC1 ZINC001208930456 802442751 /nfs/dbraw/zinc/44/27/51/802442751.db2.gz PJJOHBDPDLTASS-UHFFFAOYSA-N 0 3 270.376 2.440 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(CC=C(C)C)C1 ZINC001266333841 802450857 /nfs/dbraw/zinc/45/08/57/802450857.db2.gz UYGWDLYYNIWTPX-ZDUSSCGKSA-N 0 3 250.386 2.355 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1ccc2ccccc2n1 ZINC001266352258 802478747 /nfs/dbraw/zinc/47/87/47/802478747.db2.gz UNYNCXSILWFODG-UHFFFAOYSA-N 0 3 283.375 2.473 20 30 CEEDHN C=CCCCCN1C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001209200128 802482910 /nfs/dbraw/zinc/48/29/10/802482910.db2.gz CBJBRMCWKXUYSK-KBPBESRZSA-N 0 3 298.427 2.303 20 30 CEEDHN C=CCCCCCCN1CCN(C2COC2)CC1 ZINC001209431410 802525926 /nfs/dbraw/zinc/52/59/26/802525926.db2.gz NHTQAMXMICPSRO-UHFFFAOYSA-N 0 3 252.402 2.139 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)CCCC1CCOCC1 ZINC001266467833 802616124 /nfs/dbraw/zinc/61/61/24/802616124.db2.gz FCUQOTCSPMFKAJ-MRXNPFEDSA-N 0 3 294.439 2.350 20 30 CEEDHN CN1CC[C@H](Nc2c(C#N)cnc3nc(Cl)ccc32)C1 ZINC001167273179 802621267 /nfs/dbraw/zinc/62/12/67/802621267.db2.gz VVJWHNVOXSZBJL-JTQLQIEISA-N 0 3 287.754 2.271 20 30 CEEDHN CCCCCC[C@H](C)NC(=O)[C@H](N)CCCC#N ZINC000709453448 809961793 /nfs/dbraw/zinc/96/17/93/809961793.db2.gz DCBJBLZOQOEQIV-QWHCGFSZSA-N 0 3 253.390 2.483 20 30 CEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)C2=CCCC2)C1 ZINC001039197420 802698373 /nfs/dbraw/zinc/69/83/73/802698373.db2.gz NWLAZLPQCFDENU-DLBZAZTESA-N 0 3 286.419 2.433 20 30 CEEDHN C#CCN(CCC)CCNC(=O)CC(C)=C(C)C ZINC001266568501 802724980 /nfs/dbraw/zinc/72/49/80/802724980.db2.gz NDZHOVUZWKFGKK-UHFFFAOYSA-N 0 3 250.386 2.194 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)/C=C(\C)C1CC1 ZINC001266556518 802713896 /nfs/dbraw/zinc/71/38/96/802713896.db2.gz PUSFTJNWMNMJLJ-BUHFOSPRSA-N 0 3 262.397 2.194 20 30 CEEDHN CC#CCN[C@H]1CCN(C(=O)c2cccc(Cl)c2)C1 ZINC001266561962 802720199 /nfs/dbraw/zinc/72/01/99/802720199.db2.gz JSWVFDWHRUDLQX-AWEZNQCLSA-N 0 3 276.767 2.167 20 30 CEEDHN CC#CCN[C@H]1CCN(C(=O)c2cncc3ccccc32)C1 ZINC001266567507 802723709 /nfs/dbraw/zinc/72/37/09/802723709.db2.gz GZZJWHRANJIQEK-HNNXBMFYSA-N 0 3 293.370 2.062 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3ccc(CC)cc3)C2)C1 ZINC001041812928 802805164 /nfs/dbraw/zinc/80/51/64/802805164.db2.gz PXJIIAWIVUAONO-LJQANCHMSA-N 0 3 296.414 2.420 20 30 CEEDHN CCC(=O)N1CC[C@@H]2CCN(Cc3cccc(C#N)c3)[C@@H]2C1 ZINC001041865325 802864118 /nfs/dbraw/zinc/86/41/18/802864118.db2.gz IDMNZRBGGSPFAD-DLBZAZTESA-N 0 3 297.402 2.391 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)C(C)(C)CC)C1 ZINC001266761153 802885754 /nfs/dbraw/zinc/88/57/54/802885754.db2.gz VESQMHXBEABLOB-AWEZNQCLSA-N 0 3 264.413 2.274 20 30 CEEDHN N#Cc1cc(F)cc(CN2CC[C@@]3(CCOC3)C2)c1 ZINC000707264399 802920331 /nfs/dbraw/zinc/92/03/31/802920331.db2.gz CESZKAVHCUYLTB-OAHLLOKOSA-N 0 3 260.312 2.310 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N(C)CCNC[C@H](F)CC ZINC001266827950 802928485 /nfs/dbraw/zinc/92/84/85/802928485.db2.gz HENPPERXDBSTMQ-OCCSQVGLSA-N 0 3 258.381 2.385 20 30 CEEDHN C=CCN1CCCC[C@@H]1CNC(=O)/C(C)=C/CC ZINC001266836677 802934133 /nfs/dbraw/zinc/93/41/33/802934133.db2.gz CEOXKSPVXLCAOL-MAUPQMMJSA-N 0 3 250.386 2.499 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)CC(C)(C)C)C1 ZINC001266891709 802973134 /nfs/dbraw/zinc/97/31/34/802973134.db2.gz QDGCLWGBRVEKLU-UONOGXRCSA-N 0 3 264.413 2.273 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)C2(CF)CC2)CC[C@H]1C ZINC001132300996 812821873 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C=CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272619848 807822870 /nfs/dbraw/zinc/82/28/70/807822870.db2.gz ZZYQOUGRRAQYQI-KRWDZBQOSA-N 0 3 286.375 2.003 20 30 CEEDHN C=CCN1CC[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1=O ZINC001272619848 807822876 /nfs/dbraw/zinc/82/28/76/807822876.db2.gz ZZYQOUGRRAQYQI-KRWDZBQOSA-N 0 3 286.375 2.003 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C2=CCCC2)CC(C)(C)C1 ZINC001089357604 807893025 /nfs/dbraw/zinc/89/30/25/807893025.db2.gz MPAKSPJAEVAVKA-OAHLLOKOSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2CC(C)C2)CC(C)(C)C1 ZINC001089357938 807893640 /nfs/dbraw/zinc/89/36/40/807893640.db2.gz QQYHEYFINJZJBA-NRXISQOPSA-N 0 3 276.424 2.273 20 30 CEEDHN N#CC1(CCCCN2CCSC[C@@H]2CO)CCC1 ZINC001119771147 815158202 /nfs/dbraw/zinc/15/82/02/815158202.db2.gz XWHNBPRBXWTSLM-ZDUSSCGKSA-N 0 3 268.426 2.260 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccoc2)CC(C)(C)C1 ZINC001089367605 807942226 /nfs/dbraw/zinc/94/22/26/807942226.db2.gz IWORJHFEFDFHJC-OAHLLOKOSA-N 0 3 288.391 2.062 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2coc(C)c2)CC(C)(C)C1 ZINC001089372401 807944836 /nfs/dbraw/zinc/94/48/36/807944836.db2.gz NMWGKWBCCPYGFB-HNNXBMFYSA-N 0 3 288.391 2.442 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CCC2(F)F)CC(C)(C)C1 ZINC001089416784 807962841 /nfs/dbraw/zinc/96/28/41/807962841.db2.gz PPQRYEPAIYUYGO-QWHCGFSZSA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)CC(C)(C)C1 ZINC001089439590 807977253 /nfs/dbraw/zinc/97/72/53/807977253.db2.gz GTJMBGHMFKUKAO-RVKKMQEKSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2CC23CC3)CC(C)(C)C1 ZINC001089503217 808015054 /nfs/dbraw/zinc/01/50/54/808015054.db2.gz TUWZHRHFNGKADZ-KBPBESRZSA-N 0 3 274.408 2.027 20 30 CEEDHN CCc1ccc(CCC(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000130680925 808023333 /nfs/dbraw/zinc/02/33/33/808023333.db2.gz ZNTPONSCWZUKOP-OAHLLOKOSA-N 0 3 286.375 2.415 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2nc(Cl)sc2C)C1 ZINC001031837118 808163994 /nfs/dbraw/zinc/16/39/94/808163994.db2.gz FPGCJDXLBVMECL-UHFFFAOYSA-N 0 3 299.827 2.343 20 30 CEEDHN C#CCCN1CC(CNC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001032213054 808334260 /nfs/dbraw/zinc/33/42/60/808334260.db2.gz GBIDRJHOYUZLQA-UHFFFAOYSA-N 0 3 296.414 2.169 20 30 CEEDHN C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032318505 808435302 /nfs/dbraw/zinc/43/53/02/808435302.db2.gz PSVWGUALRFKOEP-QEJZJMRPSA-N 0 3 275.396 2.011 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C)o1 ZINC001032361850 808527440 /nfs/dbraw/zinc/52/74/40/808527440.db2.gz FMVXKVZRDHKYIE-GJZGRUSLSA-N 0 3 288.391 2.382 20 30 CEEDHN CCCCCCC[C@H](C)NC(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001239259705 808554253 /nfs/dbraw/zinc/55/42/53/808554253.db2.gz VBTALEWGZZSZOM-XQQFMLRXSA-N 0 3 273.396 2.426 20 30 CEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1cc(C)ccn1)CC2 ZINC001272784629 808664151 /nfs/dbraw/zinc/66/41/51/808664151.db2.gz WPENOCXGIOJQHZ-MRXNPFEDSA-N 0 3 299.418 2.294 20 30 CEEDHN Cc1cccnc1[C@@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC001120476983 815226430 /nfs/dbraw/zinc/22/64/30/815226430.db2.gz JWJPAORLTOYEMK-CHWSQXEVSA-N 0 3 259.353 2.095 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)c[nH]1 ZINC001032526667 808681940 /nfs/dbraw/zinc/68/19/40/808681940.db2.gz ZQBVARSVXIJNSZ-STQMWFEESA-N 0 3 277.343 2.019 20 30 CEEDHN C#C[C@H](C)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC001120493127 815228640 /nfs/dbraw/zinc/22/86/40/815228640.db2.gz SCPDYPPLCMMUJV-CMPLNLGQSA-N 0 3 287.281 2.056 20 30 CEEDHN C#C[C@H](C)NC[C@@H](O)COc1ccc(/C=C\C)cc1OC ZINC001120491783 815228761 /nfs/dbraw/zinc/22/87/61/815228761.db2.gz DASLQWQFEINAFQ-HIINFBLBSA-N 0 3 289.375 2.079 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(C=C)CC ZINC001032607488 808728144 /nfs/dbraw/zinc/72/81/44/808728144.db2.gz VGFVYYCJEMZVDN-DZKIICNBSA-N 0 3 262.397 2.450 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccnc1C ZINC001032626198 808740868 /nfs/dbraw/zinc/74/08/68/808740868.db2.gz BAXDMFQYUGCMFU-IRXDYDNUSA-N 0 3 299.418 2.184 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CF)CCC1 ZINC001032636685 808753313 /nfs/dbraw/zinc/75/33/13/808753313.db2.gz QSPPQGLFFYYTMV-KBPBESRZSA-N 0 3 280.387 2.378 20 30 CEEDHN C=C(Br)CNCCCNC(=O)C(C)(C)C ZINC001171792485 815237085 /nfs/dbraw/zinc/23/70/85/815237085.db2.gz IBYRQJCKYMCOIV-UHFFFAOYSA-N 0 3 277.206 2.037 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C1CC1 ZINC001049403845 808805593 /nfs/dbraw/zinc/80/55/93/808805593.db2.gz MCNUZJBADZMHCO-AEGPPILISA-N 0 3 262.397 2.284 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccc(C)o1 ZINC001032799798 808896668 /nfs/dbraw/zinc/89/66/68/808896668.db2.gz MSWRVTIHTABZFB-GJZGRUSLSA-N 0 3 288.391 2.382 20 30 CEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C(C)(F)F)C12CCC2 ZINC001078532120 808909311 /nfs/dbraw/zinc/90/93/11/808909311.db2.gz WFIBNEWJTGGLAN-ZJUUUORDSA-N 0 3 292.757 2.411 20 30 CEEDHN C[C@H](c1ccccc1)[C@@H](O)CNCC#C[C@H]1CCCCO1 ZINC001120611749 815246460 /nfs/dbraw/zinc/24/64/60/815246460.db2.gz VQQVSBXGVUPEMD-NXHRZFHOSA-N 0 3 287.403 2.313 20 30 CEEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1cccs1 ZINC001272929406 808934890 /nfs/dbraw/zinc/93/48/90/808934890.db2.gz PLJKKTWPZSKKNF-INIZCTEOSA-N 0 3 288.416 2.338 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1N(C)C ZINC001032814455 808938118 /nfs/dbraw/zinc/93/81/18/808938118.db2.gz NCLKSYSZWOEJJI-GJZGRUSLSA-N 0 3 299.418 2.227 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)C(C)(F)F)C1 ZINC001053063671 808938379 /nfs/dbraw/zinc/93/83/79/808938379.db2.gz PWAVWGBBYHNGNZ-ZIAGYGMSSA-N 0 3 298.377 2.368 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COc2ccccc21 ZINC001032815893 808948828 /nfs/dbraw/zinc/94/88/28/808948828.db2.gz SNGGTPJIOIXAJJ-DZKIICNBSA-N 0 3 298.386 2.024 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(C)n2C)C1 ZINC001032906991 809114718 /nfs/dbraw/zinc/11/47/18/809114718.db2.gz RJQRCFFRYINNER-CQSZACIVSA-N 0 3 275.396 2.056 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2CC(C)C2)C1 ZINC001032989500 809137114 /nfs/dbraw/zinc/13/71/14/809137114.db2.gz HMUSFZZBESXXPT-RUXDESIVSA-N 0 3 250.386 2.141 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc(F)c2C)C1 ZINC001033110409 809182108 /nfs/dbraw/zinc/18/21/08/809182108.db2.gz IUNDDTJURYGTSM-CQSZACIVSA-N 0 3 288.366 2.304 20 30 CEEDHN C=C(C)CCN1CC[C@H](N(C)C(=O)c2ccns2)C1 ZINC001033131468 809195045 /nfs/dbraw/zinc/19/50/45/809195045.db2.gz SCTZPFLCSYLBOR-LBPRGKRZSA-N 0 3 279.409 2.256 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)[C@H]1CCN(CCCF)C1 ZINC001033144673 809198637 /nfs/dbraw/zinc/19/86/37/809198637.db2.gz APDQTFYQKZXHDX-AWEZNQCLSA-N 0 3 293.386 2.180 20 30 CEEDHN C=CCOc1ccc(C(=O)N(C)[C@@H]2CCN(CC)C2)cc1 ZINC001033202060 809234607 /nfs/dbraw/zinc/23/46/07/809234607.db2.gz CJZNEUPNTALDMW-OAHLLOKOSA-N 0 3 288.391 2.418 20 30 CEEDHN C=CCOc1ccccc1C(=O)N(C)[C@@H]1CCN(CC)C1 ZINC001033202409 809234703 /nfs/dbraw/zinc/23/47/03/809234703.db2.gz GRYASCHMXJFRAZ-CQSZACIVSA-N 0 3 288.391 2.418 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c[nH]c3ccccc32)C1 ZINC001033238471 809244566 /nfs/dbraw/zinc/24/45/66/809244566.db2.gz WRTCFYQENJKPDT-CQSZACIVSA-N 0 3 295.386 2.338 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccn3ccccc23)C1 ZINC001033256210 809249094 /nfs/dbraw/zinc/24/90/94/809249094.db2.gz QLURRUIRDCTHHR-OAHLLOKOSA-N 0 3 295.386 2.109 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc[nH]c2C(C)C)C1 ZINC001033344765 809279918 /nfs/dbraw/zinc/27/99/18/809279918.db2.gz SEZGGGTUVVVFKY-AWEZNQCLSA-N 0 3 287.407 2.308 20 30 CEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc(C3CC3)no2)C1 ZINC001033469939 809312167 /nfs/dbraw/zinc/31/21/67/809312167.db2.gz JRIBCXLVWFPZDN-CYBMUJFWSA-N 0 3 289.379 2.274 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2c[nH]cc2C2CC2)C1 ZINC001033545637 809338252 /nfs/dbraw/zinc/33/82/52/809338252.db2.gz UPKJZTGGVBAXEV-AWEZNQCLSA-N 0 3 285.391 2.062 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(C)cc(C)c2)C1 ZINC001033618353 809363264 /nfs/dbraw/zinc/36/32/64/809363264.db2.gz VUADOIZGDFGUDY-QGZVFWFLSA-N 0 3 284.403 2.473 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)C2(c3ccccc3)CC2)C1 ZINC001033640965 809370020 /nfs/dbraw/zinc/37/00/20/809370020.db2.gz YUONZUQJKHHFFJ-KRWDZBQOSA-N 0 3 296.414 2.274 20 30 CEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2nc(C)c(C)s2)C1 ZINC001033675228 809378616 /nfs/dbraw/zinc/37/86/16/809378616.db2.gz NLLFPIAHCUWYIZ-CYBMUJFWSA-N 0 3 293.436 2.482 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccccc2F)C1 ZINC001033731707 809397428 /nfs/dbraw/zinc/39/74/28/809397428.db2.gz DGFPHGPOBDZCPK-AWEZNQCLSA-N 0 3 288.366 2.385 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2c(C)ccn2C)C1 ZINC001033806143 809424704 /nfs/dbraw/zinc/42/47/04/809424704.db2.gz BSHRCUCQJCAZBL-HNNXBMFYSA-N 0 3 289.423 2.446 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccoc2CC)C1 ZINC001033819114 809426560 /nfs/dbraw/zinc/42/65/60/809426560.db2.gz CVQGSPRASJXBOY-AWEZNQCLSA-N 0 3 288.391 2.402 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2[nH]c(C)cc2C)C1 ZINC001033879668 809442816 /nfs/dbraw/zinc/44/28/16/809442816.db2.gz VPRZVYDERBLAPO-OAHLLOKOSA-N 0 3 287.407 2.191 20 30 CEEDHN C=CCCN1CCCC[C@H](NC(=O)C(C)(F)F)C1 ZINC001034074508 809499365 /nfs/dbraw/zinc/49/93/65/809499365.db2.gz QDCHVXFGRUCWMJ-NSHDSACASA-N 0 3 260.328 2.188 20 30 CEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cccs2)C1 ZINC001034085175 809505204 /nfs/dbraw/zinc/50/52/04/809505204.db2.gz NVYAIEGVZQTXDX-CYBMUJFWSA-N 0 3 276.405 2.356 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CCCCO2)C1 ZINC001034168637 809540785 /nfs/dbraw/zinc/54/07/85/809540785.db2.gz IYZPFDVYRRALFE-LSDHHAIUSA-N 0 3 280.412 2.102 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCCOCC2)C1 ZINC001034185156 809543299 /nfs/dbraw/zinc/54/32/99/809543299.db2.gz UKQIUXVJHQSMGN-JKSUJKDBSA-N 0 3 294.439 2.350 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c(C)ccn2C)C1 ZINC001034181629 809547376 /nfs/dbraw/zinc/54/73/76/809547376.db2.gz USZMVKXGJNTERA-OAHLLOKOSA-N 0 3 289.423 2.494 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2cnccc2C)C1 ZINC001034249736 809562001 /nfs/dbraw/zinc/56/20/01/809562001.db2.gz NKXUXSSSISLRFP-INIZCTEOSA-N 0 3 287.407 2.089 20 30 CEEDHN 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C=C(C)CN1CC2(C1)CCN(C(=O)c1c[nH]c(C#N)c1)CC2 ZINC001035690387 809803251 /nfs/dbraw/zinc/80/32/51/809803251.db2.gz OAOAOEPCXPJJEK-UHFFFAOYSA-N 0 3 298.390 2.000 20 30 CEEDHN CC(C)=CCN1CC2(C1)CCN(C(=O)C#CC1CC1)CC2 ZINC001035700563 809805060 /nfs/dbraw/zinc/80/50/60/809805060.db2.gz ILHLWDLAVXHHRL-UHFFFAOYSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)C1(C(C)C)CC1)CC2 ZINC001035792183 809815939 /nfs/dbraw/zinc/81/59/39/809815939.db2.gz RBTLELUQXCGKEB-UHFFFAOYSA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC13CC3)CC2 ZINC001035803782 809820777 /nfs/dbraw/zinc/82/07/77/809820777.db2.gz JULNDTJMVVPNFI-CQSZACIVSA-N 0 3 274.408 2.287 20 30 CEEDHN C#CC1(O)CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000708104602 809921363 /nfs/dbraw/zinc/92/13/63/809921363.db2.gz QRIBHRNKUVVLQG-UHFFFAOYSA-N 0 3 279.767 2.179 20 30 CEEDHN C#CCNC1(CNC(=O)C[C@H]2CCc3ccccc32)CCC1 ZINC001273173580 810086025 /nfs/dbraw/zinc/08/60/25/810086025.db2.gz VHOVNKZKMPCUGT-MRXNPFEDSA-N 0 3 296.414 2.368 20 30 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C#Cc1ccccc1CC(=O)N[C@@H]1CC[C@@H](C)N(CC=C)C1 ZINC001072023927 813533013 /nfs/dbraw/zinc/53/30/13/813533013.db2.gz YPJKLSZRJIWRFD-CRAIPNDOSA-N 0 3 296.414 2.366 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)C1 ZINC001072879817 813680574 /nfs/dbraw/zinc/68/05/74/813680574.db2.gz ZKMYRGBFNSGVNX-RBSFLKMASA-N 0 3 274.408 2.143 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccccc1C)C2 ZINC001098360871 813920351 /nfs/dbraw/zinc/92/03/51/813920351.db2.gz FHDWCRGKRCBKLS-KURKYZTESA-N 0 3 296.414 2.282 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001098778142 813948208 /nfs/dbraw/zinc/94/82/08/813948208.db2.gz VVSOONCXJMLMMI-XGYYKPKNSA-N 0 3 274.408 2.189 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2oc(C)nc2C)C1 ZINC001090971416 813952252 /nfs/dbraw/zinc/95/22/52/813952252.db2.gz XZLHCJUKQKBRFU-UHFFFAOYSA-N 0 3 297.786 2.142 20 30 CEEDHN COCC[C@H]1CCCCN1Cc1cncc(C#N)c1 ZINC001144079764 813952392 /nfs/dbraw/zinc/95/23/92/813952392.db2.gz 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/nfs/dbraw/zinc/06/96/31/814069631.db2.gz WYRHNDSRABUMFB-CYBMUJFWSA-N 0 3 268.364 2.495 20 30 CEEDHN C=CC(=NCOC)NC(=N)c1ccc2cc(O)ccc2c1 ZINC001171185800 814075576 /nfs/dbraw/zinc/07/55/76/814075576.db2.gz JDIOKXRIGHEKRS-UHFFFAOYSA-N 0 3 283.331 2.439 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@H](CO)c1ccccn1 ZINC001171192230 814090335 /nfs/dbraw/zinc/09/03/35/814090335.db2.gz LRUKPLWWIPYMFV-SUMWQHHRSA-N 0 3 281.359 2.207 20 30 CEEDHN COCCn1cnc(CN[C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171193803 814093652 /nfs/dbraw/zinc/09/36/52/814093652.db2.gz CGTSBXDEOJBFDC-AWEZNQCLSA-N 0 3 298.390 2.122 20 30 CEEDHN C=CCN1CCC[C@H]1CNc1cc(N(CC)CC)ncn1 ZINC001160954491 814282775 /nfs/dbraw/zinc/28/27/75/814282775.db2.gz VLMFDCWPGCRWNK-AWEZNQCLSA-N 0 3 289.427 2.385 20 30 CEEDHN CC[C@H](F)CN1C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C1 ZINC001101955174 814348696 /nfs/dbraw/zinc/34/86/96/814348696.db2.gz VWRQFMFQMGQOQS-KFWWJZLASA-N 0 3 296.430 2.468 20 30 CEEDHN C[C@@H]1CN(C/C=C\Cl)C[C@H]1CNC(=O)C#CC(C)(C)C ZINC001101956152 814349223 /nfs/dbraw/zinc/34/92/23/814349223.db2.gz SCPFDUFHNZHGEG-WNFXYAGKSA-N 0 3 296.842 2.473 20 30 CEEDHN C=CCN(C1CCCCC1)C1CCS(=O)(=O)CC1 ZINC001256392955 814361364 /nfs/dbraw/zinc/36/13/64/814361364.db2.gz KQGZFFDRNLRKNI-UHFFFAOYSA-N 0 3 271.426 2.384 20 30 CEEDHN C=CC[C@H](NC(=O)Cc1nc[nH]c1C)c1ccncc1 ZINC001147006830 814368248 /nfs/dbraw/zinc/36/82/48/814368248.db2.gz FYDRXZLLXYQWCX-ZDUSSCGKSA-N 0 3 270.336 2.089 20 30 CEEDHN C=CCCC1(C(=O)N2CC3(C2)CCN(CC=C)C3)CC1 ZINC001148262204 814545325 /nfs/dbraw/zinc/54/53/25/814545325.db2.gz HKNGQWVUIFLMHI-UHFFFAOYSA-N 0 3 274.408 2.453 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C)cc1O ZINC001148507744 814578428 /nfs/dbraw/zinc/57/84/28/814578428.db2.gz VFDICAREPBPTAD-ZDUSSCGKSA-N 0 3 274.364 2.081 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)C(C)C)C1 ZINC001111654289 814593997 /nfs/dbraw/zinc/59/39/97/814593997.db2.gz OZNRQRLJDRNFNC-VYDXJSESSA-N 0 3 276.424 2.273 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C(F)=C(C)C)C1 ZINC001111701378 814598913 /nfs/dbraw/zinc/59/89/13/814598913.db2.gz ULZCSOSXHPNQAX-WFASDCNBSA-N 0 3 266.360 2.407 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCC2CC2)C1 ZINC001111844583 814619018 /nfs/dbraw/zinc/61/90/18/814619018.db2.gz MBHSWAVZYJTPCH-RDJZCZTQSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C=C3CCC3)C2)CC1 ZINC001086915444 814651797 /nfs/dbraw/zinc/65/17/97/814651797.db2.gz IRQOEBBQYRIUFS-OAHLLOKOSA-N 0 3 286.419 2.433 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)C(C)(C)C)C[C@]2(C)C1 ZINC001091786081 814671882 /nfs/dbraw/zinc/67/18/82/814671882.db2.gz UARWKXVUJHFHDJ-RKVPGOIHSA-N 0 3 290.451 2.472 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)C(C)(F)F)C[C@]2(C)C1 ZINC001092023006 814687757 /nfs/dbraw/zinc/68/77/57/814687757.db2.gz KMTNQIZDQAALFB-NFAWXSAZSA-N 0 3 298.377 2.081 20 30 CEEDHN C=C[C@H](COC)NCc1ccc(-n2ccnc2)cc1 ZINC001116643451 814871684 /nfs/dbraw/zinc/87/16/84/814871684.db2.gz OXPKZIKYKNLCTK-CQSZACIVSA-N 0 3 257.337 2.163 20 30 CEEDHN CN(CCF)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173434941 815721758 /nfs/dbraw/zinc/72/17/58/815721758.db2.gz IQEZVSUHIWAPCA-UHFFFAOYSA-N 0 3 289.354 2.064 20 30 CEEDHN CC1(C#N)CCC(N2C[C@@H](F)C[C@H](CO)C2)CC1 ZINC001173592628 815755107 /nfs/dbraw/zinc/75/51/07/815755107.db2.gz WVXDNUOAHMMLTE-FEPKRQSRSA-N 0 3 254.349 2.111 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2C[C@H](C)[C@@H](C(=O)OC)C2)c1[O-] ZINC001138631698 815848400 /nfs/dbraw/zinc/84/84/00/815848400.db2.gz YXIXRDIRBOBZFU-WFASDCNBSA-N 0 3 289.375 2.362 20 30 CEEDHN C=CCc1cccc(C[N@H+]2C[C@H](C)[C@@H](C(=O)OC)C2)c1[O-] ZINC001138631698 815848406 /nfs/dbraw/zinc/84/84/06/815848406.db2.gz YXIXRDIRBOBZFU-WFASDCNBSA-N 0 3 289.375 2.362 20 30 CEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C#CC(C)C)C12CCC2 ZINC001202867559 815906109 /nfs/dbraw/zinc/90/61/09/815906109.db2.gz RTJQFQCLPAZVNZ-ZIAGYGMSSA-N 0 3 294.826 2.415 20 30 CEEDHN C#CC1CCN(Cc2c(N)c(OC)ccc2OC)CC1 ZINC001139277888 816000565 /nfs/dbraw/zinc/00/05/65/816000565.db2.gz LLURDXMRQZHFIC-UHFFFAOYSA-N 0 3 274.364 2.131 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CCC[C@H]1O ZINC001139526944 816038518 /nfs/dbraw/zinc/03/85/18/816038518.db2.gz PMYSDGSKWJZAQL-IAQYHMDHSA-N 0 3 262.328 2.290 20 30 CEEDHN COC(=O)[C@@H]1C[C@H](C)CN(Cc2ccc(C)c(C#N)c2)C1 ZINC001139726341 816096410 /nfs/dbraw/zinc/09/64/10/816096410.db2.gz JMLVQXFZARCHFM-BLLLJJGKSA-N 0 3 286.375 2.498 20 30 CEEDHN C=CCn1cc(CN2CC[C@H](N3CCCC3)[C@@H](F)C2)cn1 ZINC001139774601 816111968 /nfs/dbraw/zinc/11/19/68/816111968.db2.gz NWIWSVNOLOAQOO-HOTGVXAUSA-N 0 3 292.402 2.077 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)COCc1ccccc1 ZINC001175836392 816286263 /nfs/dbraw/zinc/28/62/63/816286263.db2.gz YPYIIABCPFTUPL-UHFFFAOYSA-N 0 3 296.798 2.052 20 30 CEEDHN CN1CC2(C1)CCN(Cc1cc(C#N)ccc1Cl)C2 ZINC001140604108 816299381 /nfs/dbraw/zinc/29/93/81/816299381.db2.gz QDXCJRAXAWAMHE-UHFFFAOYSA-N 0 3 275.783 2.349 20 30 CEEDHN C=CC[N@@H+](Cc1c([O-])c(C)ncc1CO)C(C)(C)C ZINC001140870842 816391655 /nfs/dbraw/zinc/39/16/55/816391655.db2.gz FTTYDKOPNGCIBZ-UHFFFAOYSA-N 0 3 264.369 2.374 20 30 CEEDHN C=CC[N@H+](Cc1c([O-])c(C)ncc1CO)C(C)(C)C ZINC001140870842 816391663 /nfs/dbraw/zinc/39/16/63/816391663.db2.gz FTTYDKOPNGCIBZ-UHFFFAOYSA-N 0 3 264.369 2.374 20 30 CEEDHN C#CCCCCC(=O)N1CC[C@H](NCc2ccccn2)[C@@H]1C ZINC001178503863 816762941 /nfs/dbraw/zinc/76/29/41/816762941.db2.gz UNCUQFWXPDWSOP-RDJZCZTQSA-N 0 3 299.418 2.354 20 30 CEEDHN CC#CCNCCNC(=O)c1ccc(-c2cccs2)o1 ZINC001149584122 816880292 /nfs/dbraw/zinc/88/02/92/816880292.db2.gz UWDSXFYXSQRVGK-UHFFFAOYSA-N 0 3 288.372 2.351 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)/C=C(\C)CC)C1 ZINC001149688103 816889679 /nfs/dbraw/zinc/88/96/79/816889679.db2.gz SVYXHPICEMLDGA-AAWPKVBNSA-N 0 3 280.412 2.126 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000621155252 349514447 /nfs/dbraw/zinc/51/44/47/349514447.db2.gz BTZHTPBYBIISDK-CQSZACIVSA-N 0 3 250.386 2.211 20 30 CEEDHN C[C@H]1CCCN1C(=O)CCN1CCC(C)(C#N)CC1 ZINC000336331068 365557527 /nfs/dbraw/zinc/55/75/27/365557527.db2.gz YERBVDWWNSUCOK-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN C=CCC[C@H](O)CN(C)CCOc1ccc(F)cc1 ZINC000121388756 365561642 /nfs/dbraw/zinc/56/16/42/365561642.db2.gz HCACKPUUFZOCRB-AWEZNQCLSA-N 0 3 267.344 2.463 20 30 CEEDHN N#Cc1cccc(CNC[C@H](O)COCc2ccccc2)c1 ZINC000079720731 343988625 /nfs/dbraw/zinc/98/86/25/343988625.db2.gz USDGUWBOOZLTTQ-SFHVURJKSA-N 0 3 296.370 2.226 20 30 CEEDHN C=CCN1CCC(C(=O)Nc2cc(C)ccn2)CC1 ZINC000079882799 343993435 /nfs/dbraw/zinc/99/34/35/343993435.db2.gz IWTRBSGGARJCGO-UHFFFAOYSA-N 0 3 259.353 2.227 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](c2cccc(C)c2)C1 ZINC000273074779 192037086 /nfs/dbraw/zinc/03/70/86/192037086.db2.gz JZCSXQZQJVMVHU-GOEBONIOSA-N 0 3 272.392 2.475 20 30 CEEDHN N#Cc1cccc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1 ZINC000125282709 187177579 /nfs/dbraw/zinc/17/75/79/187177579.db2.gz DZABZCBFETVSEL-HZPDHXFCSA-N 0 3 283.375 2.049 20 30 CEEDHN C[C@@H](NC(=O)c1ccccc1CC#N)C1=CCN(C)CC1 ZINC000601422743 346835782 /nfs/dbraw/zinc/83/57/82/346835782.db2.gz XUKQSFKWMRXYJF-CYBMUJFWSA-N 0 3 283.375 2.133 20 30 CEEDHN C=CCC[C@@H](O)CN(CCOC)Cc1ccccc1 ZINC000036096803 361828383 /nfs/dbraw/zinc/82/83/83/361828383.db2.gz KEVZUDHBVPRYNJ-MRXNPFEDSA-N 0 3 263.381 2.462 20 30 CEEDHN C=CCOc1ccc(CN[C@H]2CCCCNC2=O)cc1 ZINC000036976589 361877144 /nfs/dbraw/zinc/87/71/44/361877144.db2.gz GYKOASNBSFKMIF-HNNXBMFYSA-N 0 3 274.364 2.010 20 30 CEEDHN C[C@H](CN1CCCC1=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037782179 361936384 /nfs/dbraw/zinc/93/63/84/361936384.db2.gz CGWSPDZPJZFRBO-OLZOCXBDSA-N 0 3 271.364 2.220 20 30 CEEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2ccco2)cc1 ZINC000567694667 299077148 /nfs/dbraw/zinc/07/71/48/299077148.db2.gz ZWUOPPPEXSXHIN-FVQBIDKESA-N 0 3 298.342 2.037 20 30 CEEDHN CC(C)(F)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000601688540 346878584 /nfs/dbraw/zinc/87/85/84/346878584.db2.gz SKUVJFJISLNFLW-ZDUSSCGKSA-N 0 3 273.311 2.105 20 30 CEEDHN CC(C#N)C(=O)N[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000601699249 346881679 /nfs/dbraw/zinc/88/16/79/346881679.db2.gz BFOBJDDVMNLWQJ-LDYMZIIASA-N 0 3 286.253 2.015 20 30 CEEDHN CCC[C@H](CCO)NC(=O)C(C#N)CCc1ccccc1 ZINC000601713325 346886396 /nfs/dbraw/zinc/88/63/96/346886396.db2.gz PAAGFBJHGAQSCJ-HZPDHXFCSA-N 0 3 288.391 2.426 20 30 CEEDHN C=CCOc1ccccc1CN(C)CC1CN(C)C1 ZINC000668537451 539192246 /nfs/dbraw/zinc/19/22/46/539192246.db2.gz HAUMMFIBWSURCZ-UHFFFAOYSA-N 0 3 260.381 2.245 20 30 CEEDHN C=CCCOCC(=O)N(CCN(C)C)c1ccccc1 ZINC000621727268 349681769 /nfs/dbraw/zinc/68/17/69/349681769.db2.gz DKTHLXSAZVUPQS-UHFFFAOYSA-N 0 3 276.380 2.174 20 30 CEEDHN CCN1CCC(Nc2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000125864775 187203056 /nfs/dbraw/zinc/20/30/56/187203056.db2.gz MLLRNMVAULCXLY-UHFFFAOYSA-N 0 3 274.324 2.363 20 30 CEEDHN C[C@H]1C[C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])CCN1C ZINC000125954396 187206888 /nfs/dbraw/zinc/20/68/88/187206888.db2.gz SFSMRMYSMFJUAG-JQWIXIFHSA-N 0 3 274.324 2.361 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601811669 346905698 /nfs/dbraw/zinc/90/56/98/346905698.db2.gz WLMZXNPXHMEXPA-XJFOESAGSA-N 0 3 263.385 2.010 20 30 CEEDHN CCCNC(=O)[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000050998692 343547312 /nfs/dbraw/zinc/54/73/12/343547312.db2.gz FMGVCAUQDFUOQT-INIZCTEOSA-N 0 3 285.391 2.296 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)C(C1CC1)C1CC1 ZINC000050989606 343547376 /nfs/dbraw/zinc/54/73/76/343547376.db2.gz HCKOWCJKFZPWFX-MRXNPFEDSA-N 0 3 277.412 2.161 20 30 CEEDHN C=CCOCCN[C@@H](C)c1sc(CCOC)nc1C ZINC000679576701 539328397 /nfs/dbraw/zinc/32/83/97/539328397.db2.gz ROFIEKRNQGUXRG-NSHDSACASA-N 0 3 284.425 2.494 20 30 CEEDHN N#Cc1cccc(CNCCC(=O)Nc2ccccn2)c1 ZINC000065977683 343705907 /nfs/dbraw/zinc/70/59/07/343705907.db2.gz BBXIAPOBKKDCCE-UHFFFAOYSA-N 0 3 280.331 2.072 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NCc1cccc(F)c1C#N ZINC000602012215 346958699 /nfs/dbraw/zinc/95/86/99/346958699.db2.gz KSMXFYFWPKTPJW-BDJLRTHQSA-N 0 3 273.355 2.270 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCc3ccccc3C2)CC1 ZINC000067130872 343730195 /nfs/dbraw/zinc/73/01/95/343730195.db2.gz JHBUTLVSOCBETR-SFHVURJKSA-N 0 3 296.414 2.005 20 30 CEEDHN C=CCN(CC=C)C[C@H](O)COc1ccccc1F ZINC000068048746 343752689 /nfs/dbraw/zinc/75/26/89/343752689.db2.gz AWZSNPIBEDXIGW-ZDUSSCGKSA-N 0 3 265.328 2.239 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000069353851 343786386 /nfs/dbraw/zinc/78/63/86/343786386.db2.gz DDZLAWFBNKAKLY-SOUVJXGZSA-N 0 3 282.428 2.347 20 30 CEEDHN N#CCN(C(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000070449219 343793442 /nfs/dbraw/zinc/79/34/42/343793442.db2.gz PZYXYFDSTRUQQS-MRXNPFEDSA-N 0 3 297.402 2.413 20 30 CEEDHN C[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1C ZINC000076111680 343881577 /nfs/dbraw/zinc/88/15/77/343881577.db2.gz WHBCTVSJQWYZKK-ZIAGYGMSSA-N 0 3 277.412 2.259 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000077553745 343924476 /nfs/dbraw/zinc/92/44/76/343924476.db2.gz DBXGLNVKYQPBHO-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN C#CCN(C(=O)C1CCN(C)CC1)C1CCCCC1 ZINC000081300704 344045252 /nfs/dbraw/zinc/04/52/52/344045252.db2.gz MYDZVBZYPWKSCB-UHFFFAOYSA-N 0 3 262.397 2.123 20 30 CEEDHN CN(C)CCN(Cc1cccc(F)c1)c1cnc(C#N)cn1 ZINC000127091012 187281506 /nfs/dbraw/zinc/28/15/06/187281506.db2.gz KEXOEVPYZDFQHB-UHFFFAOYSA-N 0 3 299.353 2.056 20 30 CEEDHN N#Cc1cccc(CNCCNC(=O)c2cccs2)c1 ZINC000048520271 362281652 /nfs/dbraw/zinc/28/16/52/362281652.db2.gz OSPYNSUROOBLKA-UHFFFAOYSA-N 0 3 285.372 2.139 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CC2(O)CCCCC2)CC1 ZINC000081355650 344046971 /nfs/dbraw/zinc/04/69/71/344046971.db2.gz OIJSBOXVAUCIKQ-UHFFFAOYSA-N 0 3 294.439 2.228 20 30 CEEDHN O=C(C#Cc1ccccc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000081688981 344062138 /nfs/dbraw/zinc/06/21/38/344062138.db2.gz MOJIYMNIDLTETR-QGZVFWFLSA-N 0 3 282.387 2.125 20 30 CEEDHN C=CCOc1ccc(CNC(C)(C)C(=O)N(C)C)cc1 ZINC000108422709 344265056 /nfs/dbraw/zinc/26/50/56/344265056.db2.gz ZVMDILNVWUGSFY-UHFFFAOYSA-N 0 3 276.380 2.208 20 30 CEEDHN C[C@H](O)C[C@@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000123725112 344311182 /nfs/dbraw/zinc/31/11/82/344311182.db2.gz GGXHEZVUXQHMOD-WFASDCNBSA-N 0 3 259.353 2.079 20 30 CEEDHN CN(C)Cc1ccc(CNC(=O)C2(C#N)CCC2)cc1 ZINC000126365286 344323734 /nfs/dbraw/zinc/32/37/34/344323734.db2.gz CTYALYAJBOXJIM-UHFFFAOYSA-N 0 3 271.364 2.058 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCCCCSC)CC1 ZINC000132213172 344362744 /nfs/dbraw/zinc/36/27/44/344362744.db2.gz BLVPLCIGTDXDLH-UHFFFAOYSA-N 0 3 299.484 2.469 20 30 CEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)CO ZINC000120724654 344299754 /nfs/dbraw/zinc/29/97/54/344299754.db2.gz BXUMYCIUECYOQB-GFCCVEGCSA-N 0 3 264.325 2.211 20 30 CEEDHN N#Cc1cccc(OCCN2CCC[C@H](CCO)C2)c1 ZINC000221984845 344539997 /nfs/dbraw/zinc/53/99/97/344539997.db2.gz TZTWOTDYFKPZII-CQSZACIVSA-N 0 3 274.364 2.031 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)C(C1CC1)C1CC1 ZINC000050989441 362425151 /nfs/dbraw/zinc/42/51/51/362425151.db2.gz LHANGASSSFPNRF-UHFFFAOYSA-N 0 3 262.397 2.307 20 30 CEEDHN N#CCCOCCN1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000292658826 344688869 /nfs/dbraw/zinc/68/88/69/344688869.db2.gz AFJSQHRDSKANAK-UONOGXRCSA-N 0 3 278.352 2.098 20 30 CEEDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cccc(C#N)c1 ZINC000300541608 344700730 /nfs/dbraw/zinc/70/07/30/344700730.db2.gz RGVKXJFLXCMAAH-OAHLLOKOSA-N 0 3 271.364 2.115 20 30 CEEDHN C=CCOCCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000301763102 344702639 /nfs/dbraw/zinc/70/26/39/344702639.db2.gz UMYJHWBTWOAZOI-UHFFFAOYSA-N 0 3 250.298 2.195 20 30 CEEDHN CSC[C@H](CCO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000305801412 344710819 /nfs/dbraw/zinc/71/08/19/344710819.db2.gz GFCXLQBEUQQRGF-MFKMUULPSA-N 0 3 282.384 2.462 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(F)cc1Br ZINC000335999049 344765061 /nfs/dbraw/zinc/76/50/61/344765061.db2.gz KAYSWMCKFMIOBE-SSDOTTSWSA-N 0 3 285.116 2.364 20 30 CEEDHN COc1cccc([C@@H](CNc2ncncc2C#N)N(C)C)c1 ZINC000320634840 344752633 /nfs/dbraw/zinc/75/26/33/344752633.db2.gz CMRQGISDVJCPIO-OAHLLOKOSA-N 0 3 297.362 2.072 20 30 CEEDHN CN1CCC[C@H]1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000356096872 530063485 /nfs/dbraw/zinc/06/34/85/530063485.db2.gz OFMIPUNSUHAFRP-CVEARBPZSA-N 0 3 285.391 2.284 20 30 CEEDHN CC(C#N)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000357824711 344807133 /nfs/dbraw/zinc/80/71/33/344807133.db2.gz LOFKPFXEPJSKQF-SNVBAGLBSA-N 0 3 266.728 2.337 20 30 CEEDHN C=CCOCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000385702257 344830937 /nfs/dbraw/zinc/83/09/37/344830937.db2.gz GUYZFRORRLEBGK-UHFFFAOYSA-N 0 3 287.319 2.488 20 30 CEEDHN N#Cc1cccc(CNCCC[C@@H]2CCCC[C@@H]2O)n1 ZINC000602574852 347084652 /nfs/dbraw/zinc/08/46/52/347084652.db2.gz FNYBDBMXHPJKRH-BBRMVZONSA-N 0 3 273.380 2.374 20 30 CEEDHN Cc1cncc(CCN(C)Cc2cccc(C#N)c2)n1 ZINC000402604402 344873215 /nfs/dbraw/zinc/87/32/15/344873215.db2.gz MCZPBTZZOSYPOL-UHFFFAOYSA-N 0 3 266.348 2.331 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000424062347 344896791 /nfs/dbraw/zinc/89/67/91/344896791.db2.gz GXHYFHFEEXXIFX-LSDHHAIUSA-N 0 3 271.364 2.275 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)CCCCCC#N)[C@H]2C1 ZINC000588672276 345050945 /nfs/dbraw/zinc/05/09/45/345050945.db2.gz AZTJDCOPMDYTOX-KGLIPLIRSA-N 0 3 263.385 2.013 20 30 CEEDHN N#CCCCCCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000588155956 345039753 /nfs/dbraw/zinc/03/97/53/345039753.db2.gz GDTMRRCFOYGGPL-CQSZACIVSA-N 0 3 263.385 2.157 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](C2CC2)C1 ZINC000588978279 345063499 /nfs/dbraw/zinc/06/34/99/345063499.db2.gz UVSQULNPGMNNKX-JSGCOSHPSA-N 0 3 275.396 2.059 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)CC2(C#N)CC2)N(C)C)cc1 ZINC000590187252 345121056 /nfs/dbraw/zinc/12/10/56/345121056.db2.gz UNVGQPNZGPXPBD-HNNXBMFYSA-N 0 3 285.391 2.408 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC2(C1)CCCOC2 ZINC000589939974 345105339 /nfs/dbraw/zinc/10/53/39/345105339.db2.gz JAPQJFMMKSHGNF-MRXNPFEDSA-N 0 3 298.386 2.398 20 30 CEEDHN CN1C[C@H]2CCN(Cc3ccc(C#N)cc3Cl)[C@H]2C1 ZINC000590010803 345109851 /nfs/dbraw/zinc/10/98/51/345109851.db2.gz WAYXTQZNPDKOFZ-HIFRSBDPSA-N 0 3 275.783 2.348 20 30 CEEDHN C[C@@H]1[C@H](O)CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000590762349 345176510 /nfs/dbraw/zinc/17/65/10/345176510.db2.gz UKUOTWQFBXZROR-IUODEOHRSA-N 0 3 258.365 2.443 20 30 CEEDHN CN(C)CCc1ccccc1NC(=O)CC1(C#N)CC1 ZINC000590335603 345130121 /nfs/dbraw/zinc/13/01/21/345130121.db2.gz QMTDBNSFDJUZSI-UHFFFAOYSA-N 0 3 271.364 2.423 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)CC1(C#N)CC1 ZINC000590375269 345131886 /nfs/dbraw/zinc/13/18/86/345131886.db2.gz OADBHUVNEJSNEZ-UHFFFAOYSA-N 0 3 277.412 2.405 20 30 CEEDHN CC1(C(=O)N2CC(C#N)C2)CCN(Cc2ccccc2)CC1 ZINC000590490657 345142109 /nfs/dbraw/zinc/14/21/09/345142109.db2.gz LKLHAMRYJOLMPB-UHFFFAOYSA-N 0 3 297.402 2.271 20 30 CEEDHN Cc1ccc(CCCNC(=O)[C@@H](N)CCCC#N)c(C)c1 ZINC000591590855 345267529 /nfs/dbraw/zinc/26/75/29/345267529.db2.gz SPPCSQXPJCGJKQ-INIZCTEOSA-N 0 3 287.407 2.373 20 30 CEEDHN N#CCC1(CNC[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000591764388 345278209 /nfs/dbraw/zinc/27/82/09/345278209.db2.gz HMRJKOITMQVAND-ZDUSSCGKSA-N 0 3 294.782 2.363 20 30 CEEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)C(=O)NCc1cccs1 ZINC000592393951 345349506 /nfs/dbraw/zinc/34/95/06/345349506.db2.gz LROLNJYZEIQFRQ-SCRDCRAPSA-N 0 3 291.420 2.425 20 30 CEEDHN C[C@@H]1SCC[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000592733994 345389062 /nfs/dbraw/zinc/38/90/62/345389062.db2.gz DKEUHIFENYOIES-CQDKDKBSSA-N 0 3 299.399 2.251 20 30 CEEDHN C[C@@H](CCc1cccc(F)c1)N1CC[C@@](O)(CC#N)C1 ZINC000592521707 345364530 /nfs/dbraw/zinc/36/45/30/345364530.db2.gz BGGAQUFBKXXELS-BBRMVZONSA-N 0 3 276.355 2.497 20 30 CEEDHN N#CCCC1CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000592568136 345370210 /nfs/dbraw/zinc/37/02/10/345370210.db2.gz LZNMAVHPHRAXOF-MRXNPFEDSA-N 0 3 285.391 2.271 20 30 CEEDHN Cc1cc(C)c(CN2CC[C@@](O)(CC#N)C2)c(C)c1 ZINC000592150897 345330482 /nfs/dbraw/zinc/33/04/82/345330482.db2.gz JGRKZALKHFKIET-INIZCTEOSA-N 0 3 258.365 2.462 20 30 CEEDHN Cc1cccc(CCCN2CC[C@@](O)(CC#N)C2)c1 ZINC000592151562 345331284 /nfs/dbraw/zinc/33/12/84/345331284.db2.gz NOCFEGFWZWTOSS-INIZCTEOSA-N 0 3 258.365 2.278 20 30 CEEDHN N#CCSCCCN[C@H](CCO)c1ccccc1F ZINC000592159958 345332218 /nfs/dbraw/zinc/33/22/18/345332218.db2.gz HZEAKFBRQHATTP-CQSZACIVSA-N 0 3 282.384 2.486 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592159654 345332772 /nfs/dbraw/zinc/33/27/72/345332772.db2.gz POLIENXFGRTCBN-CYBMUJFWSA-N 0 3 283.412 2.367 20 30 CEEDHN CCN(C[C@@H]1CCC(=O)N1)[C@@H](C)c1ccc(C#N)cc1 ZINC000592999136 345420837 /nfs/dbraw/zinc/42/08/37/345420837.db2.gz MMFGWVYMOGPKAS-WFASDCNBSA-N 0 3 271.364 2.220 20 30 CEEDHN N#CCc1ccc(CN2CCC(Cn3cnnc3)CC2)cc1 ZINC000593077700 345434537 /nfs/dbraw/zinc/43/45/37/345434537.db2.gz OUTNEIOGJIKDEH-UHFFFAOYSA-N 0 3 295.390 2.256 20 30 CEEDHN C[C@@H](CO)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593085905 345435929 /nfs/dbraw/zinc/43/59/29/345435929.db2.gz ZJNWNCWJQRNGOV-ZDUSSCGKSA-N 0 3 258.365 2.399 20 30 CEEDHN CN(C)C1(CN(C)C(=O)Cc2ccc(C#N)cc2)CCC1 ZINC000097932599 232189895 /nfs/dbraw/zinc/18/98/95/232189895.db2.gz NNIVQRIOYSPQTH-UHFFFAOYSA-N 0 3 285.391 2.043 20 30 CEEDHN CC[C@@H](C#N)C(=O)Nc1ccnn1C1CCN(CC)CC1 ZINC000593448981 345488704 /nfs/dbraw/zinc/48/87/04/345488704.db2.gz STNSIJOMQRQGIX-LBPRGKRZSA-N 0 3 289.383 2.028 20 30 CEEDHN N#Cc1ccc(CNCCC2(CO)CCC2)c(F)c1 ZINC000593693575 345522503 /nfs/dbraw/zinc/52/25/03/345522503.db2.gz PFGDHODLXOJQIM-UHFFFAOYSA-N 0 3 262.328 2.340 20 30 CEEDHN C[C@H](N[C@@H](CO)CCF)c1ccc(C#N)c(F)c1 ZINC000593718536 345526364 /nfs/dbraw/zinc/52/63/64/345526364.db2.gz ILWDLCXYOGCCIJ-JOYOIKCWSA-N 0 3 254.280 2.068 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)C1(C#N)CCCC1 ZINC000593883589 345548323 /nfs/dbraw/zinc/54/83/23/345548323.db2.gz OZPBGEQBNQVSFQ-UHFFFAOYSA-N 0 3 263.385 2.015 20 30 CEEDHN CCC(CC)CN(CCC#N)CC[C@@H]1CCNC1=O ZINC000593960185 345556252 /nfs/dbraw/zinc/55/62/52/345556252.db2.gz OAGYVZHXJCPLFN-AWEZNQCLSA-N 0 3 265.401 2.164 20 30 CEEDHN COC(=O)CCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032943 345569836 /nfs/dbraw/zinc/56/98/36/345569836.db2.gz SBFSMSHSVVCXTH-UHFFFAOYSA-N 0 3 258.321 2.090 20 30 CEEDHN C[C@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)N(C)C1CC1 ZINC000594220826 345599840 /nfs/dbraw/zinc/59/98/40/345599840.db2.gz ISPKRVHIEQTWSJ-GFCCVEGCSA-N 0 3 298.390 2.066 20 30 CEEDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)CCCCC#N ZINC000594251299 345604996 /nfs/dbraw/zinc/60/49/96/345604996.db2.gz ZWBDYFUCXRREPV-INIZCTEOSA-N 0 3 287.407 2.359 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000594285776 345608609 /nfs/dbraw/zinc/60/86/09/345608609.db2.gz CWDASOSLMZVIQF-YOEHRIQHSA-N 0 3 299.418 2.195 20 30 CEEDHN Cc1noc(CN(C)C(=O)C(C#N)CCc2ccccc2)n1 ZINC000594411833 345622979 /nfs/dbraw/zinc/62/29/79/345622979.db2.gz IPTKRJKFRFJQNO-AWEZNQCLSA-N 0 3 298.346 2.109 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(CCN(C)C)C1CC1 ZINC000594417652 345624516 /nfs/dbraw/zinc/62/45/16/345624516.db2.gz KVYYLKPQJPZLKT-CQSZACIVSA-N 0 3 299.418 2.289 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCc1cccc(Cl)c1 ZINC000594424908 345625927 /nfs/dbraw/zinc/62/59/27/345625927.db2.gz DQJFVBHUDGBKCN-CQSZACIVSA-N 0 3 293.798 2.410 20 30 CEEDHN CC(C)CC[C@@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594424607 345625931 /nfs/dbraw/zinc/62/59/31/345625931.db2.gz HCESQWQCVDGLSG-CHWSQXEVSA-N 0 3 253.390 2.339 20 30 CEEDHN COc1ccccc1N(C)C(=O)[C@H](N)CCCCC#N ZINC000594427157 345626320 /nfs/dbraw/zinc/62/63/20/345626320.db2.gz HOTKFZGNLICHBA-GFCCVEGCSA-N 0 3 275.352 2.069 20 30 CEEDHN CN(Cc1cccs1)C(=O)[C@H](N)CCCCC#N ZINC000594426352 345626476 /nfs/dbraw/zinc/62/64/76/345626476.db2.gz QRSAXJGPNRLLDW-GFCCVEGCSA-N 0 3 265.382 2.118 20 30 CEEDHN COc1ccc(CN(C)C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594426817 345626519 /nfs/dbraw/zinc/62/65/19/345626519.db2.gz SHRYUARYXRRNGF-OAHLLOKOSA-N 0 3 289.379 2.065 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N(C1CC1)C1CCCC1 ZINC000594428567 345627232 /nfs/dbraw/zinc/62/72/32/345627232.db2.gz MXBJXKBDFFHPQJ-AWEZNQCLSA-N 0 3 263.385 2.331 20 30 CEEDHN CCOc1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594428200 345627267 /nfs/dbraw/zinc/62/72/67/345627267.db2.gz LRZAFFYTSOVWOO-CQSZACIVSA-N 0 3 275.352 2.435 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1CNC(=O)[C@H](N)CCCCC#N ZINC000594430679 345628353 /nfs/dbraw/zinc/62/83/53/345628353.db2.gz ARKJFVAQCGRBBW-MGPQQGTHSA-N 0 3 265.401 2.340 20 30 CEEDHN C[C@@H]1Cc2ccccc2CN1C(=O)[C@H](N)CCCCC#N ZINC000594434472 345629628 /nfs/dbraw/zinc/62/96/28/345629628.db2.gz ZOGYHPHSMVRKRL-CZUORRHYSA-N 0 3 285.391 2.371 20 30 CEEDHN C[C@@H](c1cccnc1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594435090 345629945 /nfs/dbraw/zinc/62/99/45/345629945.db2.gz AFMBPERIDRBATE-JSGCOSHPSA-N 0 3 274.368 2.012 20 30 CEEDHN CC[C@H](c1ccncc1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594437224 345630701 /nfs/dbraw/zinc/63/07/01/345630701.db2.gz MDIPXKYIRXHDGK-LSDHHAIUSA-N 0 3 288.395 2.402 20 30 CEEDHN Cc1cccc(C)c1CCNC(=O)[C@@H](N)CCCCC#N ZINC000594446111 345632462 /nfs/dbraw/zinc/63/24/62/345632462.db2.gz QFQIPKGTVNXILT-INIZCTEOSA-N 0 3 287.407 2.373 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCc1ccc(F)c(F)c1 ZINC000594444537 345632837 /nfs/dbraw/zinc/63/28/37/345632837.db2.gz SKDBPWMZEFBGTQ-AWEZNQCLSA-N 0 3 295.333 2.035 20 30 CEEDHN N#CC1(Cn2cc(CNC3CCCC3)nn2)CCCC1 ZINC000594656518 345668032 /nfs/dbraw/zinc/66/80/32/345668032.db2.gz WKYMORCTLBNYCB-UHFFFAOYSA-N 0 3 273.384 2.394 20 30 CEEDHN CNC(=O)C[C@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594507641 345639996 /nfs/dbraw/zinc/63/99/96/345639996.db2.gz OONKXPCVGITCET-LBPRGKRZSA-N 0 3 273.380 2.102 20 30 CEEDHN CC(C)NC(=O)[C@@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594507371 345640230 /nfs/dbraw/zinc/64/02/30/345640230.db2.gz KZQROPLZQAGDFS-CYBMUJFWSA-N 0 3 287.407 2.490 20 30 CEEDHN CCN1CCN(c2cccc(-n3cccn3)c2C#N)C[C@H]1C ZINC000594568584 345649263 /nfs/dbraw/zinc/64/92/63/345649263.db2.gz QDBNNMUUPLANHF-CQSZACIVSA-N 0 3 295.390 2.274 20 30 CEEDHN N#CC1CCN(CCC(=O)Nc2ccccc2F)CC1 ZINC000057876026 362599424 /nfs/dbraw/zinc/59/94/24/362599424.db2.gz LJOHFFMVOGHAKW-UHFFFAOYSA-N 0 3 275.327 2.390 20 30 CEEDHN CC[C@@H](C)CCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000594710931 345676301 /nfs/dbraw/zinc/67/63/01/345676301.db2.gz JVCZFIKHKITWHL-BXUZGUMPSA-N 0 3 259.353 2.110 20 30 CEEDHN C=C1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000594847980 345691493 /nfs/dbraw/zinc/69/14/93/345691493.db2.gz BSESQVOCECQCTB-KRWDZBQOSA-N 0 3 299.418 2.472 20 30 CEEDHN C[C@H](NCC1(C#N)CCCCC1)C(C)(C)n1cncn1 ZINC000595091635 345741473 /nfs/dbraw/zinc/74/14/73/345741473.db2.gz SGNMWWVKSDDCKW-ZDUSSCGKSA-N 0 3 275.400 2.465 20 30 CEEDHN CNCc1cccc(NC(=O)N2CC[C@@](C)(C#N)C2)c1 ZINC000595237114 345746575 /nfs/dbraw/zinc/74/65/75/345746575.db2.gz XGYGHMYDKIKEQK-HNNXBMFYSA-N 0 3 272.352 2.173 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N(CCC1CC1)CC1CC1 ZINC000595259336 345750853 /nfs/dbraw/zinc/75/08/53/345750853.db2.gz KUMCOINYIMAVGI-CQSZACIVSA-N 0 3 263.385 2.046 20 30 CEEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)C1CCC(F)CC1 ZINC000595259298 345750895 /nfs/dbraw/zinc/75/08/95/345750895.db2.gz JKJOPSMDSCHVPF-BLYZHGLHSA-N 0 3 283.391 2.431 20 30 CEEDHN C=CCCSCCNCc1ccc(OC)nc1 ZINC000594959759 345717223 /nfs/dbraw/zinc/71/72/23/345717223.db2.gz CBSYVHJLYAAQNF-UHFFFAOYSA-N 0 3 252.383 2.489 20 30 CEEDHN C[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000594964239 345718399 /nfs/dbraw/zinc/71/83/99/345718399.db2.gz CKDLHVKNGIGKNB-JZKQVHKSSA-N 0 3 294.395 2.477 20 30 CEEDHN C=CCCNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000594968668 345719674 /nfs/dbraw/zinc/71/96/74/345719674.db2.gz MTQBGAXSNZSBRC-UHFFFAOYSA-N 0 3 266.297 2.278 20 30 CEEDHN N#CCCn1cc(CNC/C=C/CO)c(-c2ccccc2)n1 ZINC000594973548 345720405 /nfs/dbraw/zinc/72/04/05/345720405.db2.gz FQGJIJDSFWJGPB-SNAWJCMRSA-N 0 3 296.374 2.102 20 30 CEEDHN CC(C)(CNCc1ccc(C#N)s1)[C@@]1(O)CCCOC1 ZINC000594995315 345723249 /nfs/dbraw/zinc/72/32/49/345723249.db2.gz HYXPHROYBMTYFG-OAHLLOKOSA-N 0 3 294.420 2.277 20 30 CEEDHN CN1c2ccccc2C[C@@H](N[C@@H]2CCC[C@H](C#N)C2)C1=O ZINC000595059557 345736817 /nfs/dbraw/zinc/73/68/17/345736817.db2.gz FELOUHJUMUHJJZ-NWANDNLSSA-N 0 3 283.375 2.246 20 30 CEEDHN CN1c2ccccc2C[C@@H](N[C@H]2CCC[C@@H](C#N)C2)C1=O ZINC000595059558 345736829 /nfs/dbraw/zinc/73/68/29/345736829.db2.gz FELOUHJUMUHJJZ-VHDGCEQUSA-N 0 3 283.375 2.246 20 30 CEEDHN C[C@H]1[C@H](C)N(CCc2ccc(C#N)cc2)CCN1C ZINC000595410890 345776406 /nfs/dbraw/zinc/77/64/06/345776406.db2.gz UHIGZGLWVUDIAK-KBPBESRZSA-N 0 3 257.381 2.125 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595502231 345797628 /nfs/dbraw/zinc/79/76/28/345797628.db2.gz XKGCWTDJQWTTOA-GJZGRUSLSA-N 0 3 292.427 2.196 20 30 CEEDHN Cc1cccc(OC[C@@H](O)CN2CCC[C@H](CC#N)C2)c1 ZINC000595609389 345825884 /nfs/dbraw/zinc/82/58/84/345825884.db2.gz JHVAEHFNNKDLOV-CVEARBPZSA-N 0 3 288.391 2.360 20 30 CEEDHN C=CC[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595659158 345839863 /nfs/dbraw/zinc/83/98/63/345839863.db2.gz LHCXRIDTDBZWCU-LBPRGKRZSA-N 0 3 264.329 2.079 20 30 CEEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000595661304 345840939 /nfs/dbraw/zinc/84/09/39/345840939.db2.gz YFTZCQSZXQRGDQ-KGLIPLIRSA-N 0 3 263.385 2.035 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](CN2CCCC2=O)C1 ZINC000595828515 345887327 /nfs/dbraw/zinc/88/73/27/345887327.db2.gz KYXCCYLQWBOVMT-MRXNPFEDSA-N 0 3 297.402 2.311 20 30 CEEDHN C[C@H](NCc1cccc(C#N)n1)[C@@H](O)Cc1ccccc1 ZINC000602581693 347087914 /nfs/dbraw/zinc/08/79/14/347087914.db2.gz JYTKHCIEJXNSTO-GUYCJALGSA-N 0 3 281.359 2.035 20 30 CEEDHN Cn1cc(C[C@@H]2CCC[C@@H]2NC[C@H](C#N)CCC#N)cn1 ZINC000595768590 345872098 /nfs/dbraw/zinc/87/20/98/345872098.db2.gz IOVSOSRWNKBPLR-BPUTZDHNSA-N 0 3 285.395 2.164 20 30 CEEDHN C[C@@H]1CCN(CCOc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000595781914 345875262 /nfs/dbraw/zinc/87/52/62/345875262.db2.gz WBENIXLLDLWDEF-KGLIPLIRSA-N 0 3 274.364 2.436 20 30 CEEDHN CCc1nc(C#N)cc(NC[C@@H](c2ccccc2)N(C)C)n1 ZINC000596056285 345929701 /nfs/dbraw/zinc/92/97/01/345929701.db2.gz QGOQLLWLLAZCCR-HNNXBMFYSA-N 0 3 295.390 2.047 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@@H](C)[C@](C)(CO)C1 ZINC000595878844 345904816 /nfs/dbraw/zinc/90/48/16/345904816.db2.gz VOAZUEZAZOFEAP-WBMJQRKESA-N 0 3 274.364 2.017 20 30 CEEDHN N#Cc1ccc(CCN2CCNC[C@@H]2c2cccnc2)cc1 ZINC000595895569 345909192 /nfs/dbraw/zinc/90/91/92/345909192.db2.gz PMHWRHIWIJZYCQ-GOSISDBHSA-N 0 3 292.386 2.142 20 30 CEEDHN C[C@H]1C[C@@H](Nc2c(C#N)cnn2C)CN1Cc1ccccc1 ZINC000596160783 345956441 /nfs/dbraw/zinc/95/64/41/345956441.db2.gz HEAKMLHACYALCC-XJKSGUPXSA-N 0 3 295.390 2.367 20 30 CEEDHN CCN1CCCN(c2nc3ncccc3cc2C#N)CC1 ZINC000596118688 345943922 /nfs/dbraw/zinc/94/39/22/345943922.db2.gz AJAATNBBFWLUNV-UHFFFAOYSA-N 0 3 281.363 2.033 20 30 CEEDHN CCc1nc(C#N)cc(N2CCN(C)C3(CCCCC3)C2)n1 ZINC000596251858 345981351 /nfs/dbraw/zinc/98/13/51/345981351.db2.gz ZXTJQJXMPWUWTN-UHFFFAOYSA-N 0 3 299.422 2.365 20 30 CEEDHN Cc1cc(N[C@@H](C)CN2CCC(C)CC2)c(C#N)cn1 ZINC000596488854 346036620 /nfs/dbraw/zinc/03/66/20/346036620.db2.gz SLFXOPDPWZTLMX-AWEZNQCLSA-N 0 3 272.396 2.216 20 30 CEEDHN C=CCCSCCN[C@H](C)c1cnccc1N ZINC000596653037 346072418 /nfs/dbraw/zinc/07/24/18/346072418.db2.gz YTKRDQYNXDDHJA-LLVKDONJSA-N 0 3 251.399 2.454 20 30 CEEDHN C=CCCSCCNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000596721316 346080221 /nfs/dbraw/zinc/08/02/21/346080221.db2.gz HTIDUNRNCGBRBE-AWEZNQCLSA-N 0 3 297.468 2.174 20 30 CEEDHN C=CCCSCCNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000596721668 346080781 /nfs/dbraw/zinc/08/07/81/346080781.db2.gz LXGRBGPJWCANRB-ZIAGYGMSSA-N 0 3 299.484 2.420 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)NCC1(C#N)CCCCC1 ZINC000596860127 346097239 /nfs/dbraw/zinc/09/72/39/346097239.db2.gz UKCTXYLYSWQPOD-UHFFFAOYSA-N 0 3 280.416 2.100 20 30 CEEDHN CN1CCC[C@H](NC(=O)CC2(C#N)CCCCC2)C1 ZINC000597161861 346138822 /nfs/dbraw/zinc/13/88/22/346138822.db2.gz CUXAXWVLDGCEQU-ZDUSSCGKSA-N 0 3 263.385 2.061 20 30 CEEDHN Cc1ccc(CN(CCN(C)C)C(=O)[C@@H](C)CC#N)o1 ZINC000596972859 346110820 /nfs/dbraw/zinc/11/08/20/346110820.db2.gz LILVYFCAQXUKBI-LBPRGKRZSA-N 0 3 277.368 2.028 20 30 CEEDHN CN(C)[C@H]1CCCN(C(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC000597103759 346128334 /nfs/dbraw/zinc/12/83/34/346128334.db2.gz RGWFNBSXMOKZGY-NSHDSACASA-N 0 3 293.317 2.003 20 30 CEEDHN C[C@@H](CC#N)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000597256546 346163583 /nfs/dbraw/zinc/16/35/83/346163583.db2.gz ZKIZDIQSRCPMJH-SLTAFYQDSA-N 0 3 277.412 2.259 20 30 CEEDHN C=CCOCCCNCc1cc(C)c(C(=O)OC)o1 ZINC000597211150 346150099 /nfs/dbraw/zinc/15/00/99/346150099.db2.gz YIGDJXWCNIXKHM-UHFFFAOYSA-N 0 3 267.325 2.057 20 30 CEEDHN CCOC(=O)[C@]1(C)CCC[C@H]1NCc1ccc(C#N)o1 ZINC000597238188 346158021 /nfs/dbraw/zinc/15/80/21/346158021.db2.gz GVVTWHLGNXLPLZ-UKRRQHHQSA-N 0 3 276.336 2.363 20 30 CEEDHN CN(Cc1cnc2c(C#N)cnn2c1)C[C@@H]1CC1(C)C ZINC000597255541 346163062 /nfs/dbraw/zinc/16/30/62/346163062.db2.gz UEMQXMHVAXQHGH-ZDUSSCGKSA-N 0 3 269.352 2.079 20 30 CEEDHN CN1CC[C@]2(C1)CCCN(C(=O)c1cccc(C#N)c1)C2 ZINC000597717054 346221372 /nfs/dbraw/zinc/22/13/72/346221372.db2.gz XNNKGCVDDBWHIV-KRWDZBQOSA-N 0 3 283.375 2.116 20 30 CEEDHN CC[C@@H](NCc1ccc(OC)c(C#N)c1)[C@@H](O)C(F)F ZINC000295129764 199362143 /nfs/dbraw/zinc/36/21/43/199362143.db2.gz XXNPYIRCBMSBNI-DGCLKSJQSA-N 0 3 284.306 2.061 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)Cc1cccc(C#N)c1 ZINC000597857307 346238857 /nfs/dbraw/zinc/23/88/57/346238857.db2.gz CVSYCJCJSPNYRR-HNNXBMFYSA-N 0 3 285.391 2.090 20 30 CEEDHN C[C@H](C(=O)N1CCC[C@H](CC#N)C1)N1[C@H](C)CC[C@@H]1C ZINC000597913089 346252256 /nfs/dbraw/zinc/25/22/56/346252256.db2.gz YOEOJIUTOGJFHB-LXTVHRRPSA-N 0 3 277.412 2.400 20 30 CEEDHN N#CCC1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000598035336 346272720 /nfs/dbraw/zinc/27/27/20/346272720.db2.gz LIZOJHIMXVSEFC-MRXNPFEDSA-N 0 3 283.375 2.023 20 30 CEEDHN C[C@H](CC#N)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000598195969 346303128 /nfs/dbraw/zinc/30/31/28/346303128.db2.gz YBCQWWBHFOMTEH-WBVHZDCISA-N 0 3 299.418 2.312 20 30 CEEDHN CN(C)[C@@H](CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602587620 347090212 /nfs/dbraw/zinc/09/02/12/347090212.db2.gz QVWPQIYZEOSLDC-KRWDZBQOSA-N 0 3 280.375 2.346 20 30 CEEDHN CC(C)[C@@H]1CN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CCN1 ZINC000598577010 346377092 /nfs/dbraw/zinc/37/70/92/346377092.db2.gz ZMGLFXPGPRXNNZ-PBHICJAKSA-N 0 3 299.418 2.193 20 30 CEEDHN CN(Cc1ccsc1)C[C@H](O)CC(C)(C)C#N ZINC000598587476 346378658 /nfs/dbraw/zinc/37/86/58/346378658.db2.gz RBYMQPIUXRXKRN-GFCCVEGCSA-N 0 3 252.383 2.481 20 30 CEEDHN C[C@@H]1[C@H](C)SCCN1C[C@H](O)CC(C)(C)C#N ZINC000598594013 346380044 /nfs/dbraw/zinc/38/00/44/346380044.db2.gz XQYOVIAVHICEHD-GRYCIOLGSA-N 0 3 256.415 2.113 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCC(c2ccon2)CC1 ZINC000598629128 346387633 /nfs/dbraw/zinc/38/76/33/346387633.db2.gz XQJABBALQZHPNA-ZDUSSCGKSA-N 0 3 277.368 2.155 20 30 CEEDHN Cc1c(CNC[C@H](O)CC(C)(C)C#N)cccc1[N+](=O)[O-] ZINC000598725270 346409293 /nfs/dbraw/zinc/40/92/93/346409293.db2.gz WVVHOHYPKUWBPN-CYBMUJFWSA-N 0 3 291.351 2.294 20 30 CEEDHN COc1ccc(F)c(CNC[C@H](O)CC(C)(C)C#N)c1 ZINC000598730072 346410983 /nfs/dbraw/zinc/41/09/83/346410983.db2.gz QUHWBVYUVXWTMX-GFCCVEGCSA-N 0 3 280.343 2.225 20 30 CEEDHN N#Cc1cccc(OCCCN2CCN(CC3CC3)CC2)c1 ZINC000098110846 185688108 /nfs/dbraw/zinc/68/81/08/185688108.db2.gz JRSLBOLKVOXVDZ-UHFFFAOYSA-N 0 3 299.418 2.355 20 30 CEEDHN C[C@H](NC(=O)NC[C@H]1CCCN1C)c1cccc(C#N)c1 ZINC000598999282 346444029 /nfs/dbraw/zinc/44/40/29/346444029.db2.gz PGLMNCPUSFSOBK-SWLSCSKDSA-N 0 3 286.379 2.013 20 30 CEEDHN COc1ccccc1[C@@H](C)NC[C@@H](O)CC1(C#N)CC1 ZINC000599344553 346502583 /nfs/dbraw/zinc/50/25/83/346502583.db2.gz FZZPANJGPJKBFG-OLZOCXBDSA-N 0 3 274.364 2.401 20 30 CEEDHN CCN1CC[C@H]2OCCN(Cc3ccc(C)c(C#N)c3)[C@H]2C1 ZINC000599427306 346517127 /nfs/dbraw/zinc/51/71/27/346517127.db2.gz LHVGONUVVKMQMQ-ZWKOTPCHSA-N 0 3 299.418 2.162 20 30 CEEDHN CN(C(=O)c1cc2c(s1)CCNC2)[C@@H]1CCC[C@@H]1C#N ZINC000602601011 347095682 /nfs/dbraw/zinc/09/56/82/347095682.db2.gz ILGJORFCNBGPEC-ZYHUDNBSSA-N 0 3 289.404 2.158 20 30 CEEDHN Cc1cc(C)c(O)c(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000602602087 347095892 /nfs/dbraw/zinc/09/58/92/347095892.db2.gz NPAAQYYMRIEGBE-LBPRGKRZSA-N 0 3 275.352 2.359 20 30 CEEDHN Cn1cc(CCN2CCc3c(CC#N)cccc3C2)cn1 ZINC000599679473 346563380 /nfs/dbraw/zinc/56/33/80/346563380.db2.gz UATBENFYRBFGGQ-UHFFFAOYSA-N 0 3 280.375 2.087 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cnc(C(=O)OC)cn1 ZINC000599470616 346525792 /nfs/dbraw/zinc/52/57/92/346525792.db2.gz UKVZLGAPUZDLPI-TZMCWYRMSA-N 0 3 289.379 2.488 20 30 CEEDHN C[C@H](CCC#N)C[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000602612267 347101694 /nfs/dbraw/zinc/10/16/94/347101694.db2.gz HEKOUMKKLONQTL-OCCSQVGLSA-N 0 3 269.352 2.424 20 30 CEEDHN C[C@H](CCC#N)CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000602612267 347101696 /nfs/dbraw/zinc/10/16/96/347101696.db2.gz HEKOUMKKLONQTL-OCCSQVGLSA-N 0 3 269.352 2.424 20 30 CEEDHN N#Cc1cc(CN2C[C@@H]3CCC[C@]3(CO)C2)ccc1F ZINC000599640837 346551779 /nfs/dbraw/zinc/55/17/79/346551779.db2.gz YJZNOLWQOJQLQW-GOEBONIOSA-N 0 3 274.339 2.292 20 30 CEEDHN COC(=O)Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000600183611 346617314 /nfs/dbraw/zinc/61/73/14/346617314.db2.gz BNHQNEWBEUKGRP-CABCVRRESA-N 0 3 272.348 2.184 20 30 CEEDHN COCc1cc(CNC[C@@H](O)CC2(C#N)CC2)ccc1F ZINC000600723469 346678816 /nfs/dbraw/zinc/67/88/16/346678816.db2.gz UXRSOPQMYYOONP-AWEZNQCLSA-N 0 3 292.354 2.116 20 30 CEEDHN Cc1cccc2c1OCC[C@H]2NC[C@H](O)CC1(C#N)CC1 ZINC000600735425 346681625 /nfs/dbraw/zinc/68/16/25/346681625.db2.gz TUNNEXMJLNAZMA-UKRRQHHQSA-N 0 3 286.375 2.463 20 30 CEEDHN CN(C)CCNc1ccc(-c2cccc(C#N)c2)cn1 ZINC000600777647 346688758 /nfs/dbraw/zinc/68/87/58/346688758.db2.gz RNECOBPPVVHTLR-UHFFFAOYSA-N 0 3 266.348 2.016 20 30 CEEDHN COc1ccc(-c2ccc(NCCN(C)C)nc2)cc1C#N ZINC000600788369 346690800 /nfs/dbraw/zinc/69/08/00/346690800.db2.gz JZSYMFYHFKNLLO-UHFFFAOYSA-N 0 3 296.374 2.024 20 30 CEEDHN N#Cc1ccc(-c2cnc(N3CCNCC3)nc2)cc1Cl ZINC000600845990 346699859 /nfs/dbraw/zinc/69/98/59/346699859.db2.gz UMHKAXRFZFWPBF-UHFFFAOYSA-N 0 3 299.765 2.078 20 30 CEEDHN N#Cc1cnc(N[C@H]2CCN(CC3CC3)C2)c2sccc21 ZINC000601115544 346756911 /nfs/dbraw/zinc/75/69/11/346756911.db2.gz IEERBZLJZXSWTO-ZDUSSCGKSA-N 0 3 298.415 2.486 20 30 CEEDHN CN1CC=C(CNc2ncc(C#N)c3ccsc32)CC1 ZINC000601137305 346766077 /nfs/dbraw/zinc/76/60/77/346766077.db2.gz APPFIJVLSAUVLQ-UHFFFAOYSA-N 0 3 284.388 2.264 20 30 CEEDHN CC(C)N(CCN(C)C)c1cc(C#N)nc(C2CC2)n1 ZINC000601143902 346768395 /nfs/dbraw/zinc/76/83/95/346768395.db2.gz MGNJGNULOWHMHN-UHFFFAOYSA-N 0 3 273.384 2.002 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601170360 346776207 /nfs/dbraw/zinc/77/62/07/346776207.db2.gz PJDPZJTURZELCU-AWEZNQCLSA-N 0 3 289.423 2.451 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2CC#N)CCN1C ZINC000601225273 346795180 /nfs/dbraw/zinc/79/51/80/346795180.db2.gz LVBMJDGVZGKGHZ-UKRRQHHQSA-N 0 3 285.391 2.307 20 30 CEEDHN Cc1ccc(CN2CC[C@@H](Nc3nccnc3C#N)C2)cc1 ZINC000601251319 346802657 /nfs/dbraw/zinc/80/26/57/346802657.db2.gz ZKIZCBTZJGBIBE-OAHLLOKOSA-N 0 3 293.374 2.343 20 30 CEEDHN CC[C@@H]1CN(C[C@@H](C)CCC#N)C[C@@]2(CCOC2)O1 ZINC000602644916 347121342 /nfs/dbraw/zinc/12/13/42/347121342.db2.gz PFNBPEPQBXQZHH-RRFJBIMHSA-N 0 3 266.385 2.196 20 30 CEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1Cc1nc(C#N)cs1 ZINC000356312942 370654423 /nfs/dbraw/zinc/65/44/23/370654423.db2.gz CTVCURTWNZFCNJ-DGCLKSJQSA-N 0 3 276.409 2.073 20 30 CEEDHN N#Cc1cccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)n1 ZINC000602679605 347140760 /nfs/dbraw/zinc/14/07/60/347140760.db2.gz MHNNMXWGASXIEL-BBWFWOEESA-N 0 3 285.391 2.469 20 30 CEEDHN C[C@@H](CCC#N)CN1CCc2nnc(N3CCCC3)cc2C1 ZINC000602713813 347166401 /nfs/dbraw/zinc/16/64/01/347166401.db2.gz CTUSQWSCMXOOBS-AWEZNQCLSA-N 0 3 299.422 2.375 20 30 CEEDHN CCN(CC)C(=O)C1CCN(CC2(CC#N)CC2)CC1 ZINC000602766274 347189768 /nfs/dbraw/zinc/18/97/68/347189768.db2.gz NYBFCJQOWKKFCX-UHFFFAOYSA-N 0 3 277.412 2.261 20 30 CEEDHN C[C@@H](Cc1ccccc1)CN1CCN(CCC#N)CC1 ZINC000602748080 347183554 /nfs/dbraw/zinc/18/35/54/347183554.db2.gz KDYPNVLXAKRJDC-INIZCTEOSA-N 0 3 271.408 2.396 20 30 CEEDHN CO[C@H](CN1C[C@@H](C)N(CC#N)[C@@H](C)C1)C1CCCC1 ZINC000602851382 347224108 /nfs/dbraw/zinc/22/41/08/347224108.db2.gz VSVAQSBJHYPQDY-IJEWVQPXSA-N 0 3 279.428 2.110 20 30 CEEDHN C[C@@H]1CN(CCN(C)c2ccccc2)C[C@@H](C)N1CC#N ZINC000602861177 347229036 /nfs/dbraw/zinc/22/90/36/347229036.db2.gz KZUCPEKDJXJSRB-HZPDHXFCSA-N 0 3 286.423 2.041 20 30 CEEDHN CC(C)(NC[C@@H]1CCc2ncnn21)c1cccc(C#N)c1 ZINC000602880912 347237051 /nfs/dbraw/zinc/23/70/51/347237051.db2.gz SHCITLPAPDPUDP-AWEZNQCLSA-N 0 3 281.363 2.162 20 30 CEEDHN N#Cc1ccc(C2CCN([C@@H]3CCCOC3)CC2)nc1 ZINC000602906414 347243568 /nfs/dbraw/zinc/24/35/68/347243568.db2.gz HVWWSTSIOUHBKK-OAHLLOKOSA-N 0 3 271.364 2.312 20 30 CEEDHN N#CC1(NC(=O)CN2CCC[C@@H](C3CCC3)CC2)CCC1 ZINC000602999939 347270588 /nfs/dbraw/zinc/27/05/88/347270588.db2.gz PWEOKPXNWZABFN-OAHLLOKOSA-N 0 3 289.423 2.451 20 30 CEEDHN CCN(C(=O)Nc1cc(F)cc(C#N)c1)[C@@H]1CCN(C)C1 ZINC000603065361 347279481 /nfs/dbraw/zinc/27/94/81/347279481.db2.gz KJZFQCWBSJCBMZ-CQSZACIVSA-N 0 3 290.342 2.255 20 30 CEEDHN COCc1cc(C#N)ccc1NCCN1CC=CCC1 ZINC000603365735 347350689 /nfs/dbraw/zinc/35/06/89/347350689.db2.gz RUIJLVZRAJZYMD-UHFFFAOYSA-N 0 3 271.364 2.378 20 30 CEEDHN CCN(CC)CCn1c(C(F)(F)F)ccc(C#N)c1=O ZINC000603379146 347353091 /nfs/dbraw/zinc/35/30/91/347353091.db2.gz YQJOOPDCRREHOY-UHFFFAOYSA-N 0 3 287.285 2.081 20 30 CEEDHN CCC[C@@H](N)c1cn(Cc2cc(F)ccc2C#N)nn1 ZINC000603218492 347311842 /nfs/dbraw/zinc/31/18/42/347311842.db2.gz CUGFWXHLRIQREM-CYBMUJFWSA-N 0 3 273.315 2.137 20 30 CEEDHN Cc1ccc(Cn2cc([C@H](N)C(C)C)nn2)cc1C#N ZINC000603223121 347314016 /nfs/dbraw/zinc/31/40/16/347314016.db2.gz LIDMZJMCBYYNAB-OAHLLOKOSA-N 0 3 269.352 2.162 20 30 CEEDHN CCC[C@@H](N)c1cn(Cc2ccc(C#N)cc2C)nn1 ZINC000603237146 347319352 /nfs/dbraw/zinc/31/93/52/347319352.db2.gz NMPPRUUWNNTOIP-CQSZACIVSA-N 0 3 269.352 2.306 20 30 CEEDHN CCC[C@H](N)c1cn(CCCOc2cccc(C#N)c2)nn1 ZINC000603243164 347320245 /nfs/dbraw/zinc/32/02/45/347320245.db2.gz TWJCRQASJIMENC-HNNXBMFYSA-N 0 3 299.378 2.419 20 30 CEEDHN CC(C)CN(CC(=O)N(CCC#N)CCC#N)C(C)C ZINC000065588635 362838468 /nfs/dbraw/zinc/83/84/68/362838468.db2.gz ORYTXVINAZOKAT-UHFFFAOYSA-N 0 3 278.400 2.009 20 30 CEEDHN C[C@H]1C[C@@H]1c1ccc(CNC2CCN(CC#N)CC2)o1 ZINC000609335051 347635522 /nfs/dbraw/zinc/63/55/22/347635522.db2.gz RBQLIFJEIYTNKA-WFASDCNBSA-N 0 3 273.380 2.481 20 30 CEEDHN CCN(CCC#N)C(=O)CN1C2CCCC1CCC2 ZINC000610369929 347676726 /nfs/dbraw/zinc/67/67/26/347676726.db2.gz AOTQJKVQYHMYKQ-UHFFFAOYSA-N 0 3 263.385 2.156 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc(C#N)s1 ZINC000610522122 347689233 /nfs/dbraw/zinc/68/92/33/347689233.db2.gz NQTPIJWBUNVHMO-NSHDSACASA-N 0 3 277.393 2.224 20 30 CEEDHN CCN(C)C(=O)CCN[C@@H](C)c1cccc(C#N)c1 ZINC000611388957 347772718 /nfs/dbraw/zinc/77/27/18/347772718.db2.gz OEUPIHYDNWGNPX-LBPRGKRZSA-N 0 3 259.353 2.077 20 30 CEEDHN CC(C#N)C(=O)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000611427710 347777562 /nfs/dbraw/zinc/77/75/62/347777562.db2.gz JTBRSUZJSKTRII-NSHDSACASA-N 0 3 288.347 2.418 20 30 CEEDHN CCOC(=O)CCN(Cc1ccnc(C#N)c1)CC1CC1 ZINC000610992222 347729392 /nfs/dbraw/zinc/72/93/92/347729392.db2.gz LTDWOOJWIRMZFA-UHFFFAOYSA-N 0 3 287.363 2.118 20 30 CEEDHN C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccccc1C#N ZINC000611120977 347741463 /nfs/dbraw/zinc/74/14/63/347741463.db2.gz SAZDPRKEBASYAE-GUYCJALGSA-N 0 3 297.402 2.295 20 30 CEEDHN C[C@@H](CN1CCN(CCC#N)CC1)c1ccccc1 ZINC000611174160 347747191 /nfs/dbraw/zinc/74/71/91/347747191.db2.gz AGPXWZSBAGOMDD-HNNXBMFYSA-N 0 3 257.381 2.321 20 30 CEEDHN CCn1cnnc1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000611587450 347797608 /nfs/dbraw/zinc/79/76/08/347797608.db2.gz BZWJQINIUBYCRM-LLVKDONJSA-N 0 3 287.342 2.202 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)N1CCC(CC#N)CC1 ZINC000611627210 347800891 /nfs/dbraw/zinc/80/08/91/347800891.db2.gz FEOGMYPBZOLNJE-HNNXBMFYSA-N 0 3 292.427 2.196 20 30 CEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1Cc1nc(C#N)cs1 ZINC000356322091 370658787 /nfs/dbraw/zinc/65/87/87/370658787.db2.gz QPVLWMKKLSIKSR-DGCLKSJQSA-N 0 3 276.409 2.073 20 30 CEEDHN Cc1c(Cl)cnc(NCCN2CCCCC2)c1C#N ZINC000612070402 347839778 /nfs/dbraw/zinc/83/97/78/347839778.db2.gz FFYTTZLNYDACMB-UHFFFAOYSA-N 0 3 278.787 2.235 20 30 CEEDHN CC1CCN(CCNC(=O)N2CCC[C@@](C)(C#N)C2)CC1 ZINC000612109484 347846319 /nfs/dbraw/zinc/84/63/19/347846319.db2.gz RJGLZDDWQXBBLX-INIZCTEOSA-N 0 3 292.427 2.054 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)N2CCC[C@@](C)(C#N)C2)C1 ZINC000612109500 347846533 /nfs/dbraw/zinc/84/65/33/347846533.db2.gz UNGIONJFZDZVHZ-HOCLYGCPSA-N 0 3 292.427 2.054 20 30 CEEDHN CC[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)N(CC)CC ZINC000612367344 347874769 /nfs/dbraw/zinc/87/47/69/347874769.db2.gz FBPNJJXAYWTBIO-HIFRSBDPSA-N 0 3 265.401 2.259 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612376096 347876682 /nfs/dbraw/zinc/87/66/82/347876682.db2.gz SGHZJRKMWVPCAW-HOCLYGCPSA-N 0 3 292.427 2.196 20 30 CEEDHN COC(=O)C1(CNCc2ccc(C#N)s2)CCCC1 ZINC000612404130 347880915 /nfs/dbraw/zinc/88/09/15/347880915.db2.gz HHBDGXGTRKDLKS-UHFFFAOYSA-N 0 3 278.377 2.443 20 30 CEEDHN CCN(CC#CCOC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000680636881 539591166 /nfs/dbraw/zinc/59/11/66/539591166.db2.gz VMQPUAHBQBHCFT-SFHVURJKSA-N 0 3 286.419 2.233 20 30 CEEDHN C=C[C@](C)(O)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000613838354 348113067 /nfs/dbraw/zinc/11/30/67/348113067.db2.gz AQDWWDGKSHMXQL-QRTARXTBSA-N 0 3 290.407 2.039 20 30 CEEDHN Cc1ccnc(N[C@H]2C[C@@H](C)N(C3CC3)C2)c1C#N ZINC000273322336 192112037 /nfs/dbraw/zinc/11/20/37/192112037.db2.gz KLXTYFRZLNRKEC-NEPJUHHUSA-N 0 3 256.353 2.299 20 30 CEEDHN Cc1c[nH]cc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000614438667 348202072 /nfs/dbraw/zinc/20/20/72/348202072.db2.gz QACLOQPKFKCOMD-LLVKDONJSA-N 0 3 283.335 2.131 20 30 CEEDHN CC1(C)C[C@@H](NCc2ccnc(C#N)c2)C(C)(C)O1 ZINC000614912646 348253545 /nfs/dbraw/zinc/25/35/45/348253545.db2.gz JMWZNHFAYNFNTA-CYBMUJFWSA-N 0 3 259.353 2.389 20 30 CEEDHN CC(C)[C@@H](CNCc1ccc(C#N)o1)c1ccnn1C ZINC000615943336 348417344 /nfs/dbraw/zinc/41/73/44/348417344.db2.gz AURILAPRNKMIDZ-CQSZACIVSA-N 0 3 272.352 2.414 20 30 CEEDHN Cc1c(Cl)cnc(NC[C@@H]2CCCN2C)c1C#N ZINC000273376238 192131865 /nfs/dbraw/zinc/13/18/65/192131865.db2.gz SGPBCAHNJDTYGN-JTQLQIEISA-N 0 3 264.760 2.421 20 30 CEEDHN CC(C#N)C(=O)N1CCN(c2ccccc2F)C[C@@H]1C ZINC000616172111 348451695 /nfs/dbraw/zinc/45/16/95/348451695.db2.gz UTHNVVMVNCWXQO-RYUDHWBXSA-N 0 3 275.327 2.022 20 30 CEEDHN C[C@H](NCCCOc1cccc(C#N)c1)c1cnn(C)c1 ZINC000273393638 192137691 /nfs/dbraw/zinc/13/76/91/192137691.db2.gz PHYTVJCAPKUEQT-ZDUSSCGKSA-N 0 3 284.363 2.411 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc(Cl)cc2c1OCC2 ZINC000273459268 192158467 /nfs/dbraw/zinc/15/84/67/192158467.db2.gz HKCRUAAXLSIKAZ-ZDUSSCGKSA-N 0 3 267.756 2.302 20 30 CEEDHN C[C@H](C(=O)N1CCC[C@H]1CN(C)C)c1cccc(C#N)c1 ZINC000362753308 233174377 /nfs/dbraw/zinc/17/43/77/233174377.db2.gz RYCQZJOHDXKCIU-BBRMVZONSA-N 0 3 285.391 2.214 20 30 CEEDHN N#Cc1ccc(CNC[C@H]2CCCC[C@@H]2O)cc1F ZINC000404150978 233193369 /nfs/dbraw/zinc/19/33/69/233193369.db2.gz MCRPKQSZSUSBPB-HIFRSBDPSA-N 0 3 262.328 2.338 20 30 CEEDHN Cc1cc(CN2CC([C@@H]3CCOC3)C2)ccc1C#N ZINC000619432191 349179601 /nfs/dbraw/zinc/17/96/01/349179601.db2.gz FAOICXZGJNIJIG-OAHLLOKOSA-N 0 3 256.349 2.335 20 30 CEEDHN C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(C(C)(C)C#N)cc1 ZINC000619655477 349210830 /nfs/dbraw/zinc/21/08/30/349210830.db2.gz GXJPOYPHDYKECP-DOMZBBRYSA-N 0 3 285.391 2.102 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(OC)c(OC2CC2)c1 ZINC000623491259 350033214 /nfs/dbraw/zinc/03/32/14/350033214.db2.gz LLKIFAHXCGHMBK-ZDUSSCGKSA-N 0 3 277.364 2.263 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000623633496 350071812 /nfs/dbraw/zinc/07/18/12/350071812.db2.gz SMZIJICTMRONPS-UKRRQHHQSA-N 0 3 277.412 2.078 20 30 CEEDHN CC(C)CCN(C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625091423 350404913 /nfs/dbraw/zinc/40/49/13/350404913.db2.gz WPMFAHZIELDXJX-UHFFFAOYSA-N 0 3 298.386 2.264 20 30 CEEDHN C[C@H]1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000625064525 350400732 /nfs/dbraw/zinc/40/07/32/350400732.db2.gz IYKBAFNXTQFEMP-AWEZNQCLSA-N 0 3 296.370 2.018 20 30 CEEDHN CCC[C@@H](C)N(C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625078250 350402145 /nfs/dbraw/zinc/40/21/45/350402145.db2.gz NRRWFWGMNGUQJL-CQSZACIVSA-N 0 3 298.386 2.406 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(CC)C(C)C)CC1 ZINC000107058677 186158014 /nfs/dbraw/zinc/15/80/14/186158014.db2.gz FKPNHSBXZIMQFY-UHFFFAOYSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000625699667 350549442 /nfs/dbraw/zinc/54/94/42/350549442.db2.gz CGCKQHRWZYYZDT-OWCLPIDISA-N 0 3 292.423 2.054 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000681479986 539803097 /nfs/dbraw/zinc/80/30/97/539803097.db2.gz LOBICCYMUSGIEJ-SJORKVTESA-N 0 3 273.376 2.445 20 30 CEEDHN CN1CCN(Cc2cc(C#N)ccc2F)CC1(C)C ZINC000110719000 186316222 /nfs/dbraw/zinc/31/62/22/186316222.db2.gz FOXDZDZMJZQSLC-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN C=CC(C)(C)CCNC(=O)Nc1ccnn1CCN(C)C ZINC000626573561 350749447 /nfs/dbraw/zinc/74/94/47/350749447.db2.gz AVGUTJHTCHJXMT-UHFFFAOYSA-N 0 3 293.415 2.169 20 30 CEEDHN C[C@H]1CSCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000070219827 363057062 /nfs/dbraw/zinc/05/70/62/363057062.db2.gz XYJCKULYCXAVRH-FZMZJTMJSA-N 0 3 262.378 2.029 20 30 CEEDHN C=CCCOCCNCc1ccc(OC)cc1OC ZINC000120879588 186933153 /nfs/dbraw/zinc/93/31/53/186933153.db2.gz YXFGMAIZIKBPSM-UHFFFAOYSA-N 0 3 265.353 2.386 20 30 CEEDHN C[C@@H](c1ccco1)N(C)CCC(=O)N(C)CCC#N ZINC000131333288 366043172 /nfs/dbraw/zinc/04/31/72/366043172.db2.gz ISRVKKARHNFGGW-LBPRGKRZSA-N 0 3 263.341 2.035 20 30 CEEDHN C=CCN1CC[C@H](N2CCS[C@H]3CCCC[C@@H]32)C1=O ZINC000337183081 366060059 /nfs/dbraw/zinc/06/00/59/366060059.db2.gz NDFPVKXDCNRPPT-IHRRRGAJSA-N 0 3 280.437 2.133 20 30 CEEDHN C=CCN1CC[C@@H](N(C)[C@H](C)CCSCC)C1=O ZINC000337197716 366070276 /nfs/dbraw/zinc/07/02/76/366070276.db2.gz YWVQIOKVABHQCY-CHWSQXEVSA-N 0 3 270.442 2.237 20 30 CEEDHN CCN1CCCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000121868475 187001581 /nfs/dbraw/zinc/00/15/81/187001581.db2.gz XCDPLTSMIKXYPV-UHFFFAOYSA-N 0 3 271.364 2.035 20 30 CEEDHN CCN1CCC(NC(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000122576520 187038813 /nfs/dbraw/zinc/03/88/13/187038813.db2.gz LNKKKHCXONMWEE-UHFFFAOYSA-N 0 3 291.782 2.426 20 30 CEEDHN Cc1nc(N(C)[C@@H]2CCN(C)[C@H](C)C2)ccc1C#N ZINC000292003516 198131880 /nfs/dbraw/zinc/13/18/80/198131880.db2.gz RMDMEVLBBOOGCO-BXUZGUMPSA-N 0 3 258.369 2.181 20 30 CEEDHN C=CCOc1ccc(CN(C)CCN2CCOCC2)cc1 ZINC000072956797 363185109 /nfs/dbraw/zinc/18/51/09/363185109.db2.gz ZZDOWRNPUFHTCM-UHFFFAOYSA-N 0 3 290.407 2.015 20 30 CEEDHN Cc1nc(N(CCN(C)C)Cc2ccco2)ccc1C#N ZINC000292079028 198154743 /nfs/dbraw/zinc/15/47/43/198154743.db2.gz XSYURBXJIDUPIV-UHFFFAOYSA-N 0 3 284.363 2.423 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000678779325 539910966 /nfs/dbraw/zinc/91/09/66/539910966.db2.gz BJOUHRPWJHGUMB-XJKSGUPXSA-N 0 3 271.364 2.460 20 30 CEEDHN C#CCCOc1ccc(CN[C@H](C)[C@@H](CO)SC)cc1 ZINC000152478043 188022400 /nfs/dbraw/zinc/02/24/00/188022400.db2.gz ZSHPPGWIFNPGGV-CZUORRHYSA-N 0 3 293.432 2.291 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292384967 198267832 /nfs/dbraw/zinc/26/78/32/198267832.db2.gz XRTFRBKOQLWHSM-KRWDZBQOSA-N 0 3 283.375 2.035 20 30 CEEDHN COC1(C)CCN(CCOc2ccccc2C#N)CC1 ZINC000271673095 191270483 /nfs/dbraw/zinc/27/04/83/191270483.db2.gz BHOGBVSWDUWUAV-UHFFFAOYSA-N 0 3 274.364 2.438 20 30 CEEDHN C=C(Cl)CNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000157017894 188293542 /nfs/dbraw/zinc/29/35/42/188293542.db2.gz FPIDJUHKEMKIMC-JQWIXIFHSA-N 0 3 252.745 2.191 20 30 CEEDHN CC#CCN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000157908207 188346405 /nfs/dbraw/zinc/34/64/05/188346405.db2.gz JMVSLKOQKYDWJR-UHFFFAOYSA-N 0 3 274.339 2.500 20 30 CEEDHN C#CC[C@@H](NCCC(=O)NC(C)C)c1ccccc1 ZINC000271702046 191282973 /nfs/dbraw/zinc/28/29/73/191282973.db2.gz MRCLOMGZFSAZKQ-OAHLLOKOSA-N 0 3 258.365 2.255 20 30 CEEDHN C=CCN1CC[C@@H](N(C)[C@H]2CCC(C)(C)C2)C1=O ZINC000337232684 366093691 /nfs/dbraw/zinc/09/36/91/366093691.db2.gz JQIQHPCYEHBRMK-QWHCGFSZSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCN1CC[C@@H](N(C)CCCCC2CCOCC2)C1=O ZINC000337228416 366090240 /nfs/dbraw/zinc/09/02/40/366090240.db2.gz QXWRAFMKWRDYKQ-MRXNPFEDSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCN1CC[C@H](N[C@@H]2[C@@H](C)[C@H](OC)C2(CC)CC)C1=O ZINC000337259695 366110133 /nfs/dbraw/zinc/11/01/33/366110133.db2.gz VODJGJAALDYFLU-BARDWOONSA-N 0 3 294.439 2.203 20 30 CEEDHN C=CCN1CC[C@@H](N(CCOC)C[C@@H]2CC=CCC2)C1=O ZINC000337252276 366107253 /nfs/dbraw/zinc/10/72/53/366107253.db2.gz RLBNCTJPLRORRV-HZPDHXFCSA-N 0 3 292.423 2.078 20 30 CEEDHN COc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc(C)n1 ZINC000337351870 366143463 /nfs/dbraw/zinc/14/34/63/366143463.db2.gz XEYGYXIAOOUSDR-CYBMUJFWSA-N 0 3 296.330 2.296 20 30 CEEDHN FC(F)[C@H]1CCN(CC#CCN2CC[C@H](C(F)F)C2)C1 ZINC000671242496 540025111 /nfs/dbraw/zinc/02/51/11/540025111.db2.gz DLFITQXATVUPRG-RYUDHWBXSA-N 0 3 292.320 2.164 20 30 CEEDHN C=CCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000133374279 366217610 /nfs/dbraw/zinc/21/76/10/366217610.db2.gz MFJYLPZYBIKFHN-UHFFFAOYSA-N 0 3 281.287 2.180 20 30 CEEDHN CC(C)CN(C(=O)c1ccc(C#N)[nH]1)C1CCN(C)CC1 ZINC000133422478 366222266 /nfs/dbraw/zinc/22/22/66/366222266.db2.gz WYQSJMJNDBBYCP-UHFFFAOYSA-N 0 3 288.395 2.079 20 30 CEEDHN C#CC[C@H](NCC[C@H]1CCOC1=O)c1ccccc1 ZINC000271748308 191303317 /nfs/dbraw/zinc/30/33/17/191303317.db2.gz WYHQGNRSNATZJB-GJZGRUSLSA-N 0 3 257.333 2.294 20 30 CEEDHN N#CCSCCCN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000074990548 363431385 /nfs/dbraw/zinc/43/13/85/363431385.db2.gz UKUAAVJTHLSKJG-UWVGGRQHSA-N 0 3 282.331 2.021 20 30 CEEDHN N#Cc1ccc(CNCc2ccc(-n3cncn3)cc2)cc1 ZINC000061079290 283146406 /nfs/dbraw/zinc/14/64/06/283146406.db2.gz YZKOMPPXTLKQSK-UHFFFAOYSA-N 0 3 289.342 2.429 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1cccc(C#N)c1F ZINC000338296622 366279910 /nfs/dbraw/zinc/27/99/10/366279910.db2.gz OLKHZJAONAQUOQ-WDEREUQCSA-N 0 3 278.327 2.375 20 30 CEEDHN C=CCCCN(C)CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000076734043 363544755 /nfs/dbraw/zinc/54/47/55/363544755.db2.gz GZJZZVXVCZJYFA-ZIAGYGMSSA-N 0 3 252.402 2.389 20 30 CEEDHN CCN(CCC#N)C(=O)CN(C(C)C)C1CCC1 ZINC000077357913 363545616 /nfs/dbraw/zinc/54/56/16/363545616.db2.gz NUPUDTGUXNLHLZ-UHFFFAOYSA-N 0 3 251.374 2.011 20 30 CEEDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NCc1cc(C#N)cs1 ZINC000575822157 366365357 /nfs/dbraw/zinc/36/53/57/366365357.db2.gz AXJVBZORCGXUGV-TZMCWYRMSA-N 0 3 291.420 2.403 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@]2(O)CCCC(C)(C)C2)CC1 ZINC000668370003 538894121 /nfs/dbraw/zinc/89/41/21/538894121.db2.gz KNBJHFYNFMTEJK-QGZVFWFLSA-N 0 3 294.439 2.084 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)Nc1ncncc1C#N ZINC000309886593 540344878 /nfs/dbraw/zinc/34/48/78/540344878.db2.gz LIMXRNVGSULUGD-CYBMUJFWSA-N 0 3 281.363 2.281 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000578111539 366444827 /nfs/dbraw/zinc/44/48/27/366444827.db2.gz GJWOFLHXIRJGKB-MCIONIFRSA-N 0 3 269.348 2.074 20 30 CEEDHN CN1CCC[C@]2(CCN(C(=O)Cc3cccc(C#N)c3)C2)C1 ZINC000578352436 366482064 /nfs/dbraw/zinc/48/20/64/366482064.db2.gz BFIKGNUDGSXNFF-SFHVURJKSA-N 0 3 297.402 2.045 20 30 CEEDHN COCC#CCN1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000671719307 540491517 /nfs/dbraw/zinc/49/15/17/540491517.db2.gz UKYRANHUFPHJRG-FGTMMUONSA-N 0 3 285.387 2.141 20 30 CEEDHN C=CCN(CCOC)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668055129 540560900 /nfs/dbraw/zinc/56/09/00/540560900.db2.gz SNJXWSOTMFYNLE-QGZVFWFLSA-N 0 3 291.391 2.489 20 30 CEEDHN C=C(C)CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000578955874 366570026 /nfs/dbraw/zinc/57/00/26/366570026.db2.gz DYRLELOLSUKLHD-MRXNPFEDSA-N 0 3 287.407 2.376 20 30 CEEDHN N#C[C@@H](c1ccccc1)N1CCN(CC2CCOCC2)CC1 ZINC000080934849 363690484 /nfs/dbraw/zinc/69/04/84/363690484.db2.gz ZMFBCSQBMJPIBJ-SFHVURJKSA-N 0 3 299.418 2.295 20 30 CEEDHN Cc1nc([C@@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)n[nH]1 ZINC000579205325 366609343 /nfs/dbraw/zinc/60/93/43/366609343.db2.gz BTTVPHXLFVZPHR-CYBMUJFWSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1n[nH]c([C@@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000579205325 366609346 /nfs/dbraw/zinc/60/93/46/366609346.db2.gz BTTVPHXLFVZPHR-CYBMUJFWSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1nnc([C@@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)[nH]1 ZINC000579205325 366609348 /nfs/dbraw/zinc/60/93/48/366609348.db2.gz BTTVPHXLFVZPHR-CYBMUJFWSA-N 0 3 285.326 2.113 20 30 CEEDHN CCN(CC)C(=O)CCCNCc1ccc(C#N)s1 ZINC000176948060 189016110 /nfs/dbraw/zinc/01/61/10/189016110.db2.gz LPLPMGWOONPWST-UHFFFAOYSA-N 0 3 279.409 2.358 20 30 CEEDHN C#CCOc1ccc([C@@H](C)NCCC(=O)NC(C)C)cc1 ZINC000177866234 189075089 /nfs/dbraw/zinc/07/50/89/189075089.db2.gz BIJHJIDHHKVMPJ-CQSZACIVSA-N 0 3 288.391 2.264 20 30 CEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C#N)cc1 ZINC000177769727 189068453 /nfs/dbraw/zinc/06/84/53/189068453.db2.gz ZZBMKVGFKZOSFB-SJORKVTESA-N 0 3 297.402 2.186 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(C#N)cc2C)CC1 ZINC000178692116 189137871 /nfs/dbraw/zinc/13/78/71/189137871.db2.gz ATQADPQPTCFJNH-UHFFFAOYSA-N 0 3 283.375 2.247 20 30 CEEDHN C=CC[C@@H](C)NC(=O)N[C@H](CC)CN1CCCC1 ZINC000675196513 540815964 /nfs/dbraw/zinc/81/59/64/540815964.db2.gz BOLMBYARKKZNKO-CHWSQXEVSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(OC)c(OC)c1 ZINC000675486168 540847006 /nfs/dbraw/zinc/84/70/06/540847006.db2.gz KRISWZDJGVJLOB-CQSZACIVSA-N 0 3 279.380 2.463 20 30 CEEDHN C[C@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(C#N)cc1 ZINC000180160291 189240872 /nfs/dbraw/zinc/24/08/72/189240872.db2.gz DTBNAUIFUAYPSB-LBPRGKRZSA-N 0 3 292.404 2.034 20 30 CEEDHN CC#CCN[C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000180016152 189232878 /nfs/dbraw/zinc/23/28/78/189232878.db2.gz CTAWZCVQPPAOKN-FZMZJTMJSA-N 0 3 272.348 2.470 20 30 CEEDHN COCC#CCN(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000677820116 541046920 /nfs/dbraw/zinc/04/69/20/541046920.db2.gz GPVWTNABZZOBQR-GOSISDBHSA-N 0 3 286.419 2.233 20 30 CEEDHN COc1cc(C#N)ccc1OCCN(C)CCSC ZINC000152580537 366704556 /nfs/dbraw/zinc/70/45/56/366704556.db2.gz UEFLGMHBJDEKIJ-UHFFFAOYSA-N 0 3 280.393 2.240 20 30 CEEDHN C=CCCCCN(CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000579915948 366720796 /nfs/dbraw/zinc/72/07/96/366720796.db2.gz POOHOGXEVIKCIE-CYBMUJFWSA-N 0 3 259.415 2.242 20 30 CEEDHN C=CCCC[C@H](C)N1CCc2nn(CC)c(=O)cc2C1 ZINC000678716631 541165532 /nfs/dbraw/zinc/16/55/32/541165532.db2.gz VSYQYPNSKOGXED-ZDUSSCGKSA-N 0 3 275.396 2.366 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccccc1-n1cccn1 ZINC000678773085 541171116 /nfs/dbraw/zinc/17/11/16/541171116.db2.gz GFIZRFWGAJYEQP-UKRRQHHQSA-N 0 3 271.364 2.460 20 30 CEEDHN C=C(C)CN(C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000679357961 541263308 /nfs/dbraw/zinc/26/33/08/541263308.db2.gz DBHBOTRKEBMKQR-UHFFFAOYSA-N 0 3 260.316 2.414 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1CCCSCC1 ZINC000089983047 364028244 /nfs/dbraw/zinc/02/82/44/364028244.db2.gz YSCARGUDVUCLFY-UHFFFAOYSA-N 0 3 292.404 2.385 20 30 CEEDHN CCCNC(=O)[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000092734389 364102912 /nfs/dbraw/zinc/10/29/12/364102912.db2.gz RSQUFFSHWUFEFS-ZDUSSCGKSA-N 0 3 291.420 2.358 20 30 CEEDHN N#CCCCOc1cccc(CN2CC[C@H](CO)C2)c1 ZINC000092763649 364105655 /nfs/dbraw/zinc/10/56/55/364105655.db2.gz LMKGPZOURMOHDG-HNNXBMFYSA-N 0 3 274.364 2.183 20 30 CEEDHN CN(Cc1cc(C#N)cs1)CC1(O)CCCC1 ZINC000093503231 364193414 /nfs/dbraw/zinc/19/34/14/364193414.db2.gz YLSTWRLGMKAMKG-UHFFFAOYSA-N 0 3 250.367 2.357 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC(C)(C)C[C@@H]2C)CC1 ZINC000334727347 364238843 /nfs/dbraw/zinc/23/88/43/364238843.db2.gz KQJDLZSRKBNDGN-ZDUSSCGKSA-N 0 3 279.428 2.467 20 30 CEEDHN Fc1ccc(C#CCN2CC[C@]3(CCOC3)C2)cc1 ZINC000156820817 366838977 /nfs/dbraw/zinc/83/89/77/366838977.db2.gz BQYDVQPFEDCUAM-INIZCTEOSA-N 0 3 259.324 2.290 20 30 CEEDHN C=CCNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000156994352 366839988 /nfs/dbraw/zinc/83/99/88/366839988.db2.gz IBQXMCATESOAKY-INIZCTEOSA-N 0 3 287.407 2.478 20 30 CEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(C#N)s1 ZINC000335122550 364507682 /nfs/dbraw/zinc/50/76/82/364507682.db2.gz KXCLSNYGTATPIZ-AAEUAGOBSA-N 0 3 289.404 2.319 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000335190147 364600916 /nfs/dbraw/zinc/60/09/16/364600916.db2.gz VJOGHMYKXZZJOQ-JOYOIKCWSA-N 0 3 262.284 2.315 20 30 CEEDHN CCOCCN(CC)CCOc1ccccc1C#N ZINC000104193193 364684420 /nfs/dbraw/zinc/68/44/20/364684420.db2.gz VMEYCEUWSQZRMA-UHFFFAOYSA-N 0 3 262.353 2.295 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000335600711 364812143 /nfs/dbraw/zinc/81/21/43/364812143.db2.gz PHHLVPRXQMRAON-CJNGLKHVSA-N 0 3 275.396 2.013 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)/C=C/c1cccc(C#N)c1 ZINC000115432813 365005257 /nfs/dbraw/zinc/00/52/57/365005257.db2.gz NHQQYIHMPPSMCA-IJDCCNJMSA-N 0 3 297.402 2.372 20 30 CEEDHN CCCCNC(=O)CCN(C)Cc1cccc(C#N)c1 ZINC000116272590 365047382 /nfs/dbraw/zinc/04/73/82/365047382.db2.gz XNYKASVEXRJPBR-UHFFFAOYSA-N 0 3 273.380 2.296 20 30 CEEDHN C[C@@H]1CN(C)C[C@H]1NC1(c2cccc(C#N)c2)CC1 ZINC000335936237 365183300 /nfs/dbraw/zinc/18/33/00/365183300.db2.gz HPKGHRKRHAULCJ-IUODEOHRSA-N 0 3 255.365 2.087 20 30 CEEDHN CCn1cnnc1C1CCN(CCC(C)(C)C#N)CC1 ZINC000119982757 365356270 /nfs/dbraw/zinc/35/62/70/365356270.db2.gz HLNGIAMLBZTTLT-UHFFFAOYSA-N 0 3 275.400 2.417 20 30 CEEDHN N#CCCCN(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000119887227 365340224 /nfs/dbraw/zinc/34/02/24/365340224.db2.gz ZOZGTHHEJYTWAX-CHWSQXEVSA-N 0 3 254.399 2.277 20 30 CEEDHN Cc1cc(CN2CC[C@]3(CCOC3)C2)ccc1C#N ZINC000336096158 365401906 /nfs/dbraw/zinc/40/19/06/365401906.db2.gz MRGXNXUZSBASKU-INIZCTEOSA-N 0 3 256.349 2.479 20 30 CEEDHN CCOCCCN1CCCN(c2ccccc2C#N)CC1 ZINC000159239184 366892546 /nfs/dbraw/zinc/89/25/46/366892546.db2.gz YVWRWTPJLQSGJC-UHFFFAOYSA-N 0 3 287.407 2.497 20 30 CEEDHN C=CCCOCCNCc1cccc(OC)c1OC ZINC000120885738 365489791 /nfs/dbraw/zinc/48/97/91/365489791.db2.gz GJHFASCJLDJXNF-UHFFFAOYSA-N 0 3 265.353 2.386 20 30 CEEDHN COc1cc(C#N)ccc1CN(C[C@@H](C)O)C(C)C ZINC000120902666 365491808 /nfs/dbraw/zinc/49/18/08/365491808.db2.gz HHHCSRFCISKDQI-GFCCVEGCSA-N 0 3 262.353 2.158 20 30 CEEDHN N#CC(C(=O)NC[C@H]1CCCO1)c1nccc2ccccc21 ZINC000582394038 366905397 /nfs/dbraw/zinc/90/53/97/366905397.db2.gz FQELBIOIYFICNA-HIFRSBDPSA-N 0 3 295.342 2.137 20 30 CEEDHN CC(C)[C@@H](NC(=O)C(C)C#N)c1ccc2c(c1)OCCO2 ZINC000357828760 370830380 /nfs/dbraw/zinc/83/03/80/370830380.db2.gz NULGHSDGOOVCQV-IAQYHMDHSA-N 0 3 288.347 2.431 20 30 CEEDHN C[C@@H](NCc1ccc(C#N)cc1Cl)[C@H](C)CO ZINC000162822026 367193744 /nfs/dbraw/zinc/19/37/44/367193744.db2.gz BWOGLTDRMSORLM-NXEZZACHSA-N 0 3 252.745 2.318 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](CO)CC2CCCC2)o1 ZINC000341471761 367348611 /nfs/dbraw/zinc/34/86/11/367348611.db2.gz UFILXKJVMSLHKG-ZDUSSCGKSA-N 0 3 262.353 2.430 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000342395803 367405376 /nfs/dbraw/zinc/40/53/76/367405376.db2.gz ZKVRPIFXVBLBGN-ZIAGYGMSSA-N 0 3 267.417 2.467 20 30 CEEDHN C[C@H](C1CC1)N(CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000342624807 367456480 /nfs/dbraw/zinc/45/64/80/367456480.db2.gz RZZWLURSRJSMCQ-CYBMUJFWSA-N 0 3 297.402 2.437 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cnc(C(C)(C)C)nc1 ZINC000342801629 367545254 /nfs/dbraw/zinc/54/52/54/367545254.db2.gz ZGHCQJAAORPEQF-GFCCVEGCSA-N 0 3 263.385 2.048 20 30 CEEDHN CC[C@H](CSC)NCc1cnc2ccc(C#N)cn12 ZINC000342801054 367545696 /nfs/dbraw/zinc/54/56/96/367545696.db2.gz WCQVMHIJNLQVPK-GFCCVEGCSA-N 0 3 274.393 2.437 20 30 CEEDHN C=CCn1cccc1C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000342749718 367513694 /nfs/dbraw/zinc/51/36/94/367513694.db2.gz ZYIADJLBBSUALE-GJZGRUSLSA-N 0 3 287.407 2.373 20 30 CEEDHN C[C@@H](NCc1cnc2ccc(C#N)cn12)[C@H]1CCCCO1 ZINC000342768263 367523405 /nfs/dbraw/zinc/52/34/05/367523405.db2.gz KCYCBSJFPIDIJP-IUODEOHRSA-N 0 3 284.363 2.253 20 30 CEEDHN CN(C)Cc1cccc(CNC(=O)NCCCCC#N)c1 ZINC000171734443 367605775 /nfs/dbraw/zinc/60/57/75/367605775.db2.gz YRGAJUMPJMQOCA-UHFFFAOYSA-N 0 3 288.395 2.241 20 30 CEEDHN N#Cc1nccc(N[C@H](CN2CCCC2)c2ccccc2)n1 ZINC000572532204 299377133 /nfs/dbraw/zinc/37/71/33/299377133.db2.gz CARIKASTOLOSSH-OAHLLOKOSA-N 0 3 293.374 2.019 20 30 CEEDHN C[C@@H]1[C@@H](Nc2cc(C#N)c3ccccc3n2)CCCN1C ZINC000343597527 367908531 /nfs/dbraw/zinc/90/85/31/367908531.db2.gz HXIJZEQVMINLOD-DOMZBBRYSA-N 0 3 280.375 2.423 20 30 CEEDHN CCCN1CCC[C@@H]1CNC(=O)c1ccc(F)c(C#N)c1 ZINC000343579344 367896839 /nfs/dbraw/zinc/89/68/39/367896839.db2.gz VODIGVQCVJTVIH-CQSZACIVSA-N 0 3 289.354 2.302 20 30 CEEDHN CC(C)C[C@@H](CCO)CNCc1ccc(C#N)o1 ZINC000174130923 367987403 /nfs/dbraw/zinc/98/74/03/367987403.db2.gz RRMBICBVWKRVKJ-GFCCVEGCSA-N 0 3 250.342 2.286 20 30 CEEDHN CN(C)C(=O)CC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000343698468 367960114 /nfs/dbraw/zinc/96/01/14/367960114.db2.gz AMVAXHSSEDPSCO-UHFFFAOYSA-N 0 3 299.418 2.443 20 30 CEEDHN COCCOC[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC000174111218 367985109 /nfs/dbraw/zinc/98/51/09/367985109.db2.gz LKKVBPNXNMRRFU-AWEZNQCLSA-N 0 3 274.364 2.043 20 30 CEEDHN CN(CCCNCc1ccc(C#N)o1)CC(F)(F)F ZINC000174270956 368003982 /nfs/dbraw/zinc/00/39/82/368003982.db2.gz ICTGORLBJVZIHJ-UHFFFAOYSA-N 0 3 275.274 2.125 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)C[C@@H]1CC=CCC1 ZINC000344072314 368105875 /nfs/dbraw/zinc/10/58/75/368105875.db2.gz SKKLKSWKQDUOGZ-OAHLLOKOSA-N 0 3 262.397 2.475 20 30 CEEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)Cc1ccccc1 ZINC000175619608 368157901 /nfs/dbraw/zinc/15/79/01/368157901.db2.gz QBJSPAJSHSQVCM-ZDUSSCGKSA-N 0 3 296.374 2.137 20 30 CEEDHN CCN(CCOC)C(=O)C(C#N)CCc1ccccc1 ZINC000345419089 368269010 /nfs/dbraw/zinc/26/90/10/368269010.db2.gz YLTZBIDKKAZDMP-HNNXBMFYSA-N 0 3 274.364 2.254 20 30 CEEDHN COc1cncc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1C ZINC000633898906 368454926 /nfs/dbraw/zinc/45/49/26/368454926.db2.gz BRZZEIRSDIKUGE-GFCCVEGCSA-N 0 3 296.330 2.296 20 30 CEEDHN C[C@H](NCCSCCCO)c1cccc(C#N)c1 ZINC000181713369 368485635 /nfs/dbraw/zinc/48/56/35/368485635.db2.gz UOIGOVBMTOVJCM-LBPRGKRZSA-N 0 3 264.394 2.324 20 30 CEEDHN CCNC(=O)N1CC[C@H](N[C@H](C)c2cccc(C#N)c2)C1 ZINC000182018774 368514638 /nfs/dbraw/zinc/51/46/38/368514638.db2.gz AUQUFNRZURSVBA-DOMZBBRYSA-N 0 3 286.379 2.013 20 30 CEEDHN COCCOC[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346128257 368551342 /nfs/dbraw/zinc/55/13/42/368551342.db2.gz JWCWOCYNXSKOMD-NWDGAFQWSA-N 0 3 280.343 2.399 20 30 CEEDHN C[C@H](C#N)CNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000182871310 368596608 /nfs/dbraw/zinc/59/66/08/368596608.db2.gz FKUQPRIZEQQJQR-CQSZACIVSA-N 0 3 294.443 2.300 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](OCCO)C1 ZINC000246288150 370940252 /nfs/dbraw/zinc/94/02/52/370940252.db2.gz CWGGUAJMCAUGDM-CZUORRHYSA-N 0 3 274.364 2.093 20 30 CEEDHN CC#CCCCC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000185241700 368775106 /nfs/dbraw/zinc/77/51/06/368775106.db2.gz YCYHXQNBPNQMQD-QGZVFWFLSA-N 0 3 286.419 2.469 20 30 CEEDHN CC(C#N)C(=O)NCC1(O)CCC(C(C)(C)C)CC1 ZINC000347102796 368799157 /nfs/dbraw/zinc/79/91/57/368799157.db2.gz ILCWBSYSWDAZBG-BZUNDVKYSA-N 0 3 266.385 2.230 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@]1(C)Cc1ccccc1 ZINC000186056677 368913290 /nfs/dbraw/zinc/91/32/90/368913290.db2.gz QPGWJDZWTOPXBC-QGZVFWFLSA-N 0 3 272.392 2.386 20 30 CEEDHN C=CCOCCCN(C)[C@H](CO)c1ccc(OC)cc1 ZINC000348027107 368862937 /nfs/dbraw/zinc/86/29/37/368862937.db2.gz FJPSBPPIMBODAB-MRXNPFEDSA-N 0 3 279.380 2.253 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@@H]1CCCOC1 ZINC000348143667 368918839 /nfs/dbraw/zinc/91/88/39/368918839.db2.gz PZXPNDPHJAOISV-TZMCWYRMSA-N 0 3 274.364 2.472 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000287281789 376194592 /nfs/dbraw/zinc/19/45/92/376194592.db2.gz SUJXJQVAPXZCEG-XHDPSFHLSA-N 0 3 287.363 2.159 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1[nH]cnc1C)C(C)C ZINC000635559096 369218015 /nfs/dbraw/zinc/21/80/15/369218015.db2.gz DXQMIEMCQVENHP-CQSZACIVSA-N 0 3 290.411 2.147 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000349860065 369427859 /nfs/dbraw/zinc/42/78/59/369427859.db2.gz CUAPXOQFQMCQGI-KCQAQPDRSA-N 0 3 265.401 2.163 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000349878275 369434212 /nfs/dbraw/zinc/43/42/12/369434212.db2.gz VQISWKRIMITNRW-VNHYZAJKSA-N 0 3 265.401 2.305 20 30 CEEDHN C=C[C@@H](C)NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000350461663 369536935 /nfs/dbraw/zinc/53/69/35/369536935.db2.gz WLRWKJGNKCLFRX-GDBMZVCRSA-N 0 3 287.407 2.382 20 30 CEEDHN CC(C)C[C@@H](CNC(=O)c1cccc(F)c1C#N)N(C)C ZINC000189481251 369523867 /nfs/dbraw/zinc/52/38/67/369523867.db2.gz BXZJRXYECVBTPE-LBPRGKRZSA-N 0 3 291.370 2.403 20 30 CEEDHN CCn1cc(CCN(C)Cc2ccc(C#N)cc2)cn1 ZINC000276272133 193266902 /nfs/dbraw/zinc/26/69/02/193266902.db2.gz CXJXBNLGWZOLAK-UHFFFAOYSA-N 0 3 268.364 2.449 20 30 CEEDHN C[C@H](CCC#N)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000351472532 369636285 /nfs/dbraw/zinc/63/62/85/369636285.db2.gz PICZIQUPFXUVMC-GHMZBOCLSA-N 0 3 273.336 2.360 20 30 CEEDHN C=C(C)CN(CC)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000351564329 369641580 /nfs/dbraw/zinc/64/15/80/369641580.db2.gz RLDFTCANVJPGHE-UHFFFAOYSA-N 0 3 296.436 2.335 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(OC)cc1Cl ZINC000351591826 369642704 /nfs/dbraw/zinc/64/27/04/369642704.db2.gz HRWBLBBRMWJTMC-NSHDSACASA-N 0 3 255.745 2.375 20 30 CEEDHN C=CC[C@@H](CO)NCc1cnc(C2CCC2)s1 ZINC000351591830 369642792 /nfs/dbraw/zinc/64/27/92/369642792.db2.gz HSMABRMCPNJJOK-NSHDSACASA-N 0 3 252.383 2.437 20 30 CEEDHN C=CCCCCNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000351614394 369644148 /nfs/dbraw/zinc/64/41/48/369644148.db2.gz GVPMMBBFXYTMCM-STQMWFEESA-N 0 3 265.401 2.267 20 30 CEEDHN C=CCC1(C(=O)Nc2ccn(CCN(C)C)n2)CCC1 ZINC000190762568 369651347 /nfs/dbraw/zinc/65/13/47/369651347.db2.gz DZWLTIAXIIMOSE-UHFFFAOYSA-N 0 3 276.384 2.130 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC(C)(C2CC2)CC1 ZINC000352177058 369664651 /nfs/dbraw/zinc/66/46/51/369664651.db2.gz XPVUAUZHXOPSEF-ZDUSSCGKSA-N 0 3 277.412 2.259 20 30 CEEDHN C=CCN(CCOC)CCC(=O)Nc1cccc(F)c1 ZINC000191076166 369675893 /nfs/dbraw/zinc/67/58/93/369675893.db2.gz CBIPDKHQEMEQHM-UHFFFAOYSA-N 0 3 280.343 2.289 20 30 CEEDHN COc1ccc(OCCN(C)Cc2cc(C#N)n(C)c2)cc1 ZINC000191184805 369690054 /nfs/dbraw/zinc/69/00/54/369690054.db2.gz DQTWKJZMMSVUMS-UHFFFAOYSA-N 0 3 299.374 2.416 20 30 CEEDHN C=C[C@H](CO)NCc1cccc(-c2cccnc2)c1 ZINC000352454776 369739733 /nfs/dbraw/zinc/73/97/33/369739733.db2.gz VOECLFKRINVVGB-MRXNPFEDSA-N 0 3 254.333 2.385 20 30 CEEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)C(=O)N1CCCCC1 ZINC000192715431 369846140 /nfs/dbraw/zinc/84/61/40/369846140.db2.gz ZFXAXOLPDSOBGE-RDBSUJKOSA-N 0 3 263.385 2.059 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H](CO)C(C)(C)C ZINC000193109487 369894675 /nfs/dbraw/zinc/89/46/75/369894675.db2.gz XLPZUEVINXWPQW-CQSZACIVSA-N 0 3 262.353 2.063 20 30 CEEDHN C=CC(C)(C)CCNC(=O)NC(C)(C)CN(C)C ZINC000637323332 369900825 /nfs/dbraw/zinc/90/08/25/369900825.db2.gz JCHORRJMGFEJQA-UHFFFAOYSA-N 0 3 255.406 2.228 20 30 CEEDHN N#Cc1csc(CN[C@H]2CCN(CC3CCCC3)C2)n1 ZINC000352835919 369903198 /nfs/dbraw/zinc/90/31/98/369903198.db2.gz LMPAPEBZAQAORY-ZDUSSCGKSA-N 0 3 290.436 2.369 20 30 CEEDHN CC[C@@H](CO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000352838306 369905278 /nfs/dbraw/zinc/90/52/78/369905278.db2.gz MCENFDVHVROSGN-NSHDSACASA-N 0 3 272.270 2.438 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNCc1nc(C#N)cs1 ZINC000352854089 369913968 /nfs/dbraw/zinc/91/39/68/369913968.db2.gz PSWHFHPSKBFJSP-VXGBXAGGSA-N 0 3 278.425 2.367 20 30 CEEDHN C#CCC1(C(=O)NCC2=CCN(C)CC2)CCCCC1 ZINC000276710988 193437221 /nfs/dbraw/zinc/43/72/21/193437221.db2.gz VRPNXUBBEQCKLL-UHFFFAOYSA-N 0 3 274.408 2.338 20 30 CEEDHN CN(C(=O)/C=C/c1ccccc1C#N)C1CCN(C)CC1 ZINC000194460312 370039683 /nfs/dbraw/zinc/03/96/83/370039683.db2.gz XIUQYZZUSAWPCZ-BQYQJAHWSA-N 0 3 283.375 2.124 20 30 CEEDHN CC(C)[C@H]1CCN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000353032455 369992371 /nfs/dbraw/zinc/99/23/71/369992371.db2.gz WOJJDPFTGAHYHN-GOEBONIOSA-N 0 3 274.364 2.028 20 30 CEEDHN N#Cc1ccc(CN2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC000354010642 370176887 /nfs/dbraw/zinc/17/68/87/370176887.db2.gz PEJLXDIFHAWMDR-QGZVFWFLSA-N 0 3 286.375 2.328 20 30 CEEDHN C[S@@](=O)C1(CN[C@@H]2CCc3ccc(C#N)cc32)CCC1 ZINC000353669226 370122535 /nfs/dbraw/zinc/12/25/35/370122535.db2.gz TYJQPVJJXCUKQV-FOIQADDNSA-N 0 3 288.416 2.436 20 30 CEEDHN CC(C)[C@@H](CCO)NCc1ccc(C#N)cc1F ZINC000227598170 370374906 /nfs/dbraw/zinc/37/49/06/370374906.db2.gz OJDGEZHFGUJRFL-CQSZACIVSA-N 0 3 250.317 2.194 20 30 CEEDHN C#CCOc1ccccc1CNC[C@](C)(O)CCC ZINC000226251257 370331662 /nfs/dbraw/zinc/33/16/62/370331662.db2.gz QUSBZFFSSFSZHD-MRXNPFEDSA-N 0 3 261.365 2.339 20 30 CEEDHN CCc1nnc(NC[C@@H](C)N(C)C2CC2)c(C#N)c1CC ZINC000229724465 370431562 /nfs/dbraw/zinc/43/15/62/370431562.db2.gz WZDDRSJBPIXZRA-LLVKDONJSA-N 0 3 287.411 2.368 20 30 CEEDHN CO[C@@]1(C)CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000230265003 370448190 /nfs/dbraw/zinc/44/81/90/370448190.db2.gz RZBPHVQAFBRAIA-INIZCTEOSA-N 0 3 274.364 2.438 20 30 CEEDHN CCC[C@](C)(O)CNCc1ccc(OC)c(C#N)c1 ZINC000230659714 370463515 /nfs/dbraw/zinc/46/35/15/370463515.db2.gz IDJRGTDMERRJHC-HNNXBMFYSA-N 0 3 262.353 2.208 20 30 CEEDHN N#CC(C(=O)c1cccc2c1CC(=O)CC2)c1ccncn1 ZINC000355201146 370547487 /nfs/dbraw/zinc/54/74/87/370547487.db2.gz DZOQFWRRJIMYKD-HNNXBMFYSA-N 0 3 291.310 2.024 20 30 CEEDHN COc1cc(CNCC2(OC)CCC2)ccc1C#N ZINC000234905931 370548586 /nfs/dbraw/zinc/54/85/86/370548586.db2.gz YMWFAJKVLIOUQJ-UHFFFAOYSA-N 0 3 260.337 2.226 20 30 CEEDHN COc1cc(CNC[C@@H]2CCCCO2)ccc1C#N ZINC000234914206 370549675 /nfs/dbraw/zinc/54/96/75/370549675.db2.gz CHEZURCTIYGHFP-AWEZNQCLSA-N 0 3 260.337 2.226 20 30 CEEDHN C=C(CNC[C@@H](OC)[C@H]1CCOC1)c1ccccc1 ZINC000638437790 370530124 /nfs/dbraw/zinc/53/01/24/370530124.db2.gz FVNISPRQLJDWFN-JKSUJKDBSA-N 0 3 261.365 2.341 20 30 CEEDHN N#Cc1ccc(F)c(CN[C@@H]2CCO[C@H]2C2CC2)c1 ZINC000236155537 370584095 /nfs/dbraw/zinc/58/40/95/370584095.db2.gz XOCLCLXXSYLUNN-CABCVRRESA-N 0 3 260.312 2.354 20 30 CEEDHN C=CCN1CCC(NCc2cc(C)ns2)CC1 ZINC000638523729 370590317 /nfs/dbraw/zinc/59/03/17/370590317.db2.gz DXWMXPMOHZUCIG-UHFFFAOYSA-N 0 3 251.399 2.192 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCCCC[C@@H]1C ZINC000358417680 371057442 /nfs/dbraw/zinc/05/74/42/371057442.db2.gz YWJWOAIDMZUZBN-ZFWWWQNUSA-N 0 3 265.401 2.305 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000247076870 371061216 /nfs/dbraw/zinc/06/12/16/371061216.db2.gz YZZFPYBRXBLYNB-ZFWWWQNUSA-N 0 3 290.382 2.381 20 30 CEEDHN C=CCCCCCN(C)C(=O)N[C@@H](C)CN(C)C ZINC000358505267 371095348 /nfs/dbraw/zinc/09/53/48/371095348.db2.gz SGIDCVLCZKCIKS-ZDUSSCGKSA-N 0 3 255.406 2.324 20 30 CEEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000358562600 371118518 /nfs/dbraw/zinc/11/85/18/371118518.db2.gz HLBDILPTGMIBFT-ZBINZKHDSA-N 0 3 289.354 2.263 20 30 CEEDHN C[C@H](NC1CCC(C(N)=O)CC1)c1ccc(C#N)cc1F ZINC000358576714 371124796 /nfs/dbraw/zinc/12/47/96/371124796.db2.gz UROMKGMONUHQRR-PKSQDBQZSA-N 0 3 289.354 2.392 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCC(C)(C)CCC#N ZINC000358678341 371169878 /nfs/dbraw/zinc/16/98/78/371169878.db2.gz DQQROZQYFZTQIM-ZIAGYGMSSA-N 0 3 294.443 2.298 20 30 CEEDHN C[C@@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)[C@H]2CCCC[C@@H]12 ZINC000248420129 371191789 /nfs/dbraw/zinc/19/17/89/371191789.db2.gz LNXZUYCXJBRVMU-VWNJHIHFSA-N 0 3 289.423 2.305 20 30 CEEDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc(C#N)cc1F ZINC000358789188 371221946 /nfs/dbraw/zinc/22/19/46/371221946.db2.gz HOOLFKMXYMHZDN-GHMZBOCLSA-N 0 3 278.327 2.375 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000249414262 371320598 /nfs/dbraw/zinc/32/05/98/371320598.db2.gz 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/nfs/dbraw/zinc/10/06/57/372100657.db2.gz AWLYSDNQWAGXPJ-INIZCTEOSA-N 0 3 288.391 2.077 20 30 CEEDHN C=CCC[C@@H](O)CN(C)Cc1cc(OC)cc(OC)c1 ZINC000268524288 372125228 /nfs/dbraw/zinc/12/52/28/372125228.db2.gz GREQRIKMPYSUIY-CQSZACIVSA-N 0 3 279.380 2.463 20 30 CEEDHN C=CCOc1ccc(CN2CCC[C@@H](CO)C2)cc1OC ZINC000269365481 372431805 /nfs/dbraw/zinc/43/18/05/372431805.db2.gz QTDQHUPUOSYHIC-OAHLLOKOSA-N 0 3 291.391 2.464 20 30 CEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(C#N)s1 ZINC000362921677 372572615 /nfs/dbraw/zinc/57/26/15/372572615.db2.gz HWJRNOLDQTYNTN-VXGBXAGGSA-N 0 3 291.420 2.470 20 30 CEEDHN C[C@H](CNC(=O)c1ccc(C#N)s1)N1CCC[C@H](C)C1 ZINC000362943116 372582874 /nfs/dbraw/zinc/58/28/74/372582874.db2.gz IQAYPNWKFGUXFM-NWDGAFQWSA-N 0 3 291.420 2.470 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(C)(C)COC)C(C)C ZINC000270020304 372637333 /nfs/dbraw/zinc/63/73/33/372637333.db2.gz DHRURLVVEONVDW-OAHLLOKOSA-N 0 3 296.455 2.474 20 30 CEEDHN N#CC1(c2ccccc2)CC(NCCc2cnccn2)C1 ZINC000363885460 372650024 /nfs/dbraw/zinc/65/00/24/372650024.db2.gz HGWZFFKYJVBJBA-UHFFFAOYSA-N 0 3 278.359 2.233 20 30 CEEDHN CC#CC[C@H](CO)NCc1csc(Br)c1 ZINC000641769686 372711291 /nfs/dbraw/zinc/71/12/91/372711291.db2.gz XYBPQRCBTGAGGB-SNVBAGLBSA-N 0 3 288.210 2.375 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cccc(OC(F)F)c1 ZINC000641769370 372711854 /nfs/dbraw/zinc/71/18/54/372711854.db2.gz UGBSKIVCNWLMHP-LBPRGKRZSA-N 0 3 269.291 2.152 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cccc2c1OC(C)(C)C2 ZINC000641769717 372712102 /nfs/dbraw/zinc/71/21/02/372712102.db2.gz YRYYLDYWCWXCDG-HNNXBMFYSA-N 0 3 273.376 2.264 20 30 CEEDHN COC(=O)[C@H]1CCN(CCC(C)(C)C#N)C[C@H]1C ZINC000347235495 284365057 /nfs/dbraw/zinc/36/50/57/284365057.db2.gz RVHDCFSWHOZLND-NEPJUHHUSA-N 0 3 252.358 2.057 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000367530445 373160531 /nfs/dbraw/zinc/16/05/31/373160531.db2.gz DVWWQJOQFMVCSL-ZBFHGGJFSA-N 0 3 277.412 2.403 20 30 CEEDHN COCC[C@](C)(O)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271916657 373214390 /nfs/dbraw/zinc/21/43/90/373214390.db2.gz CNMAVVVJKSNXFZ-ABAIWWIYSA-N 0 3 280.343 2.135 20 30 CEEDHN C#C[C@H](C)NC(=O)NC1CCN(Cc2cccs2)CC1 ZINC000368427430 373239680 /nfs/dbraw/zinc/23/96/80/373239680.db2.gz UVIAZSOCZXLNOS-LBPRGKRZSA-N 0 3 291.420 2.033 20 30 CEEDHN C=CCCCCNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000368812916 373264218 /nfs/dbraw/zinc/26/42/18/373264218.db2.gz AMRCBKAJEQEQAA-GJZGRUSLSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)[C@@H]1NCC1(C)C ZINC000643983163 373323032 /nfs/dbraw/zinc/32/30/32/373323032.db2.gz UIEDHUSFGOCIKI-HNNXBMFYSA-N 0 3 272.392 2.242 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@H](O)COCC(C)C ZINC000272291189 373412769 /nfs/dbraw/zinc/41/27/69/373412769.db2.gz OAMQJRAGOTYMPI-HNNXBMFYSA-N 0 3 281.396 2.344 20 30 CEEDHN C=CCN(CCc1ccco1)CCn1cc([N+](=O)[O-])cn1 ZINC000272263898 373394956 /nfs/dbraw/zinc/39/49/56/373394956.db2.gz KMJCOSUNCQJJHI-UHFFFAOYSA-N 0 3 290.323 2.115 20 30 CEEDHN C#CCCOc1ccc(CN2CC[C@@H]([C@H](C)O)C2)cc1 ZINC000272492130 373512678 /nfs/dbraw/zinc/51/26/78/373512678.db2.gz DXLXBCHOTCXTCJ-GOEBONIOSA-N 0 3 273.376 2.291 20 30 CEEDHN Cn1cc(C[C@@H]2CCN(Cc3cccc(C#N)c3)C2)cn1 ZINC000370011955 373555632 /nfs/dbraw/zinc/55/56/32/373555632.db2.gz SXOXBLWZIQJCAU-INIZCTEOSA-N 0 3 280.375 2.356 20 30 CEEDHN C=CCOCCN[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000272605091 373576984 /nfs/dbraw/zinc/57/69/84/373576984.db2.gz UZMDVPQJHLBKGM-ZDUSSCGKSA-N 0 3 297.420 2.333 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000491231229 261382062 /nfs/dbraw/zinc/38/20/62/261382062.db2.gz RISLRZFCNHTDJD-DZGCQCFKSA-N 0 3 277.412 2.104 20 30 CEEDHN CC(C)N1CCC[C@@H](NC(=O)c2ccc(C#N)cc2)C1 ZINC000274551718 373958832 /nfs/dbraw/zinc/95/88/32/373958832.db2.gz XUDNQGQLLGPTRY-OAHLLOKOSA-N 0 3 271.364 2.161 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)CC(F)F)CC1 ZINC000645232924 373935301 /nfs/dbraw/zinc/93/53/01/373935301.db2.gz YWNZSNNAPPYPDP-NSHDSACASA-N 0 3 289.370 2.227 20 30 CEEDHN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4ccc(C#N)s4)[C@H]1[C@H]3C2 ZINC000289521020 197387453 /nfs/dbraw/zinc/38/74/53/197387453.db2.gz HCQKZORSGMWWRX-ZOBYWKAUSA-N 0 3 274.389 2.475 20 30 CEEDHN N#Cc1ccccc1CN[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000372304709 374093784 /nfs/dbraw/zinc/09/37/84/374093784.db2.gz IBTMEQAXRNMAEA-MSOLQXFVSA-N 0 3 299.418 2.291 20 30 CEEDHN C#CCN(C)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000277023984 374382146 /nfs/dbraw/zinc/38/21/46/374382146.db2.gz RJQOOMJTIIVASC-RDJZCZTQSA-N 0 3 273.376 2.007 20 30 CEEDHN Cn1cc(CN2CCCO[C@@H]3CCC[C@H]32)cc1C#N ZINC000373818000 374424442 /nfs/dbraw/zinc/42/44/42/374424442.db2.gz GGGSDBOPEOFSDL-HUUCEWRRSA-N 0 3 259.353 2.040 20 30 CEEDHN C[C@H]1CN(C2CCN(Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000373920757 374450051 /nfs/dbraw/zinc/45/00/51/374450051.db2.gz GZYKBNCQVIMOIS-HNNXBMFYSA-N 0 3 299.418 2.243 20 30 CEEDHN CC#CCN1CCC(CO)(Cc2ccccc2)CC1 ZINC000277820981 193769945 /nfs/dbraw/zinc/76/99/45/193769945.db2.gz QTWHSGVHSDDOLL-UHFFFAOYSA-N 0 3 257.377 2.327 20 30 CEEDHN C=CCNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000277594574 374575192 /nfs/dbraw/zinc/57/51/92/374575192.db2.gz XCOJDVCFLNCYKJ-UHFFFAOYSA-N 0 3 298.390 2.028 20 30 CEEDHN CN1CCC[C@@]2(CCN(C(=O)c3cscc3C#N)C2)C1 ZINC000334235157 206231397 /nfs/dbraw/zinc/23/13/97/206231397.db2.gz AZVDGNAIQBKCKY-OAHLLOKOSA-N 0 3 289.404 2.178 20 30 CEEDHN Cc1oc([N-]C(=O)C[NH2+][C@H]2CCC[C@@H]2C)c(C#N)c1C ZINC000279363013 374848992 /nfs/dbraw/zinc/84/89/92/374848992.db2.gz WJSJPPBRAGWGOT-ZANVPECISA-N 0 3 275.352 2.485 20 30 CEEDHN N#Cc1ccc(CNCc2cccc(-n3cncn3)c2)s1 ZINC000377988019 374994221 /nfs/dbraw/zinc/99/42/21/374994221.db2.gz GDLAGSCXGOSXPU-UHFFFAOYSA-N 0 3 295.371 2.490 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cn(C(C)(C)C)nn1 ZINC000280554745 375243557 /nfs/dbraw/zinc/24/35/57/375243557.db2.gz FGOXWZNGONFLMN-GXTWGEPZSA-N 0 3 278.400 2.104 20 30 CEEDHN Cc1ccc(C#N)c(N[C@@H]2C[C@H](C)N(C3CC3)C2)n1 ZINC000408106774 375410830 /nfs/dbraw/zinc/41/08/30/375410830.db2.gz ZLHGAWUQPJWMDZ-WCQYABFASA-N 0 3 256.353 2.299 20 30 CEEDHN C[C@H](NCC1([S@](C)=O)CC1)c1ccc(C#N)c(F)c1 ZINC000282171062 375420860 /nfs/dbraw/zinc/42/08/60/375420860.db2.gz DZUPGIZTLPKOTN-OVWNDWIMSA-N 0 3 280.368 2.259 20 30 CEEDHN COc1cc(CN2CCC(C)(CO)CC2)ccc1C#N ZINC000282489420 375496544 /nfs/dbraw/zinc/49/65/44/375496544.db2.gz XKPJFQPQIKCMNT-UHFFFAOYSA-N 0 3 274.364 2.161 20 30 CEEDHN C[C@H](N[C@H]1CCC(=O)NC12CCC2)c1cccc(C#N)c1 ZINC000282943110 375619851 /nfs/dbraw/zinc/61/98/51/375619851.db2.gz ZXGQEHVGRIYXIR-WFASDCNBSA-N 0 3 283.375 2.410 20 30 CEEDHN CCN1CCN(Cc2ccc(C#N)cc2OC)[C@H](C)C1 ZINC000286451760 375956960 /nfs/dbraw/zinc/95/69/60/375956960.db2.gz JWLYMVPGEFFDRO-CYBMUJFWSA-N 0 3 273.380 2.093 20 30 CEEDHN C[C@H](C#N)CN(C(=O)Nc1ccc2c(c1)CNCC2)C1CC1 ZINC000415889182 376029118 /nfs/dbraw/zinc/02/91/18/376029118.db2.gz BCEMQEOGZBKAIP-GFCCVEGCSA-N 0 3 298.390 2.488 20 30 CEEDHN CCCN(CCN1CCCC1)C(=O)Cc1ccc(C#N)cc1 ZINC000287579176 376265123 /nfs/dbraw/zinc/26/51/23/376265123.db2.gz XKVNUGBRASKBFC-UHFFFAOYSA-N 0 3 299.418 2.435 20 30 CEEDHN Cc1nsc(NCCCN2CCCO[C@@H](C)C2)c1C#N ZINC000287817730 376321463 /nfs/dbraw/zinc/32/14/63/376321463.db2.gz QCJXASITBMMNCO-NSHDSACASA-N 0 3 294.424 2.236 20 30 CEEDHN C[C@H]1CN(c2ccc(C#N)c(Cl)c2)[C@@H](C)CN1CCO ZINC000419010899 376377638 /nfs/dbraw/zinc/37/76/38/376377638.db2.gz YZIUEGTZPCZRSA-RYUDHWBXSA-N 0 3 293.798 2.103 20 30 CEEDHN C=CCC(C)(C)CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419193030 376391321 /nfs/dbraw/zinc/39/13/21/376391321.db2.gz YNDWDZYGQQRLMZ-AWEZNQCLSA-N 0 3 271.364 2.277 20 30 CEEDHN Cn1ccnc1[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000556745592 376476811 /nfs/dbraw/zinc/47/68/11/376476811.db2.gz BFPIAOFKCPJYSH-CYBMUJFWSA-N 0 3 284.338 2.420 20 30 CEEDHN C[C@@H]1CN(CCC2(C#N)CCCCC2)[C@@H](C)CN1CCO ZINC000419339269 376445789 /nfs/dbraw/zinc/44/57/89/376445789.db2.gz LUFNLIBUULMPNI-JKSUJKDBSA-N 0 3 293.455 2.237 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000684898427 542085893 /nfs/dbraw/zinc/08/58/93/542085893.db2.gz DDJTUAKWJUDJMR-KBPBESRZSA-N 0 3 265.401 2.125 20 30 CEEDHN C#C[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C(C)(C)C ZINC000290147109 376659322 /nfs/dbraw/zinc/65/93/22/376659322.db2.gz KXQADYXKIAHPKO-AWEZNQCLSA-N 0 3 261.321 2.258 20 30 CEEDHN CN(CCOc1ccccc1C#N)[C@H]1CCCOC1 ZINC000311251647 376660760 /nfs/dbraw/zinc/66/07/60/376660760.db2.gz VKMQGHIZKZMFEL-AWEZNQCLSA-N 0 3 260.337 2.048 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNc1cncc(C#N)n1 ZINC000420596019 376691581 /nfs/dbraw/zinc/69/15/81/376691581.db2.gz GSNQJPVXDVEGNN-TXEJJXNPSA-N 0 3 259.357 2.023 20 30 CEEDHN C[C@@H]1C[C@@H](CO)CN(CC#Cc2ccc(F)cc2)C1 ZINC000420950792 376749799 /nfs/dbraw/zinc/74/97/99/376749799.db2.gz WOZVXJJLGADPPX-UKRRQHHQSA-N 0 3 261.340 2.128 20 30 CEEDHN CC[C@@H]1CN(C)CCN1Cc1ccc(C#N)c(C)c1 ZINC000560615530 376770679 /nfs/dbraw/zinc/77/06/79/376770679.db2.gz TVKAFGMBWGOWGR-MRXNPFEDSA-N 0 3 257.381 2.393 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc(CC#N)cc1 ZINC000421058603 376791874 /nfs/dbraw/zinc/79/18/74/376791874.db2.gz IFUURGISLFAMAK-HNNXBMFYSA-N 0 3 286.379 2.311 20 30 CEEDHN COCC#CCN(C)CCCOCc1ccccc1 ZINC000685007439 542110513 /nfs/dbraw/zinc/11/05/13/542110513.db2.gz SLEUQPQAGJWNFI-UHFFFAOYSA-N 0 3 261.365 2.175 20 30 CEEDHN C[C@H](C#N)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000323941560 376837839 /nfs/dbraw/zinc/83/78/39/376837839.db2.gz UDFDWHRIQCHJAT-HUUCEWRRSA-N 0 3 285.391 2.127 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)nc1 ZINC000562034663 376839251 /nfs/dbraw/zinc/83/92/51/376839251.db2.gz CCWVOAMPSUUYMX-RBSFLKMASA-N 0 3 269.348 2.000 20 30 CEEDHN C[C@H](C(=O)N(C)C[C@H]1CCCN1C)c1cccc(C#N)c1 ZINC000421710782 376845009 /nfs/dbraw/zinc/84/50/09/376845009.db2.gz MIBWPUYENFYJAS-XJKSGUPXSA-N 0 3 285.391 2.214 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)CN1C1CC1 ZINC000328639114 376869323 /nfs/dbraw/zinc/86/93/23/376869323.db2.gz DMFHEHZUHNJFNF-ZETOZRRWSA-N 0 3 279.384 2.325 20 30 CEEDHN Cc1cc(COCC(=O)NC2CCN(C3CC3)CC2)on1 ZINC000328748633 376891302 /nfs/dbraw/zinc/89/13/02/376891302.db2.gz QNPFQXTZFOAEOI-UHFFFAOYSA-N 0 3 293.367 2.083 20 30 CEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC000328879633 376913805 /nfs/dbraw/zinc/91/38/05/376913805.db2.gz KDRVGTZTHRYMNT-UTUOFQBUSA-N 0 3 267.373 2.181 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)C[C@@](C)(O)C2CC2)CN1C1CC1 ZINC000328876068 376914369 /nfs/dbraw/zinc/91/43/69/376914369.db2.gz SJHDYTICGVUMEC-IFUGULHKSA-N 0 3 266.385 2.119 20 30 CEEDHN CCc1ocnc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329334295 376948875 /nfs/dbraw/zinc/94/88/75/376948875.db2.gz KRVGXWZWLAJESW-JTQLQIEISA-N 0 3 263.341 2.192 20 30 CEEDHN Cc1ncsc1CCNCc1cnc2ccc(C#N)cn12 ZINC000562664268 376962194 /nfs/dbraw/zinc/96/21/94/376962194.db2.gz SSTXJBKEZOFBPK-UHFFFAOYSA-N 0 3 297.387 2.303 20 30 CEEDHN CCN(CCOc1ccc(C#N)cc1OC)C[C@H](C)OC ZINC000291180001 377107224 /nfs/dbraw/zinc/10/72/24/377107224.db2.gz HTVFVTJBGZRASN-ZDUSSCGKSA-N 0 3 292.379 2.302 20 30 CEEDHN C[C@@H](Nc1ncc(C#N)cc1F)C1=CCN(C)CC1 ZINC000563304267 377167131 /nfs/dbraw/zinc/16/71/31/377167131.db2.gz OFOPBZHZIJLHJL-SNVBAGLBSA-N 0 3 260.316 2.155 20 30 CEEDHN C[C@@H]1CN(c2cccc(-n3cccn3)c2C#N)C[C@H](C)N1C ZINC000563426634 377223011 /nfs/dbraw/zinc/22/30/11/377223011.db2.gz VBVQVQOLGCNDOI-OKILXGFUSA-N 0 3 295.390 2.273 20 30 CEEDHN Cc1ocnc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000331002530 377234119 /nfs/dbraw/zinc/23/41/19/377234119.db2.gz WMMLQBCXOZVLCR-UHFFFAOYSA-N 0 3 265.357 2.410 20 30 CEEDHN CC[C@H](C)n1ncc(C(=O)N[C@@H](C)CN(C)C)c1C ZINC000330685743 377199406 /nfs/dbraw/zinc/19/94/06/377199406.db2.gz UTRCAWVYPPEQCG-QWRGUYRKSA-N 0 3 266.389 2.417 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ncc(Cl)cc2C)CC1 ZINC000291709240 377206620 /nfs/dbraw/zinc/20/66/20/377206620.db2.gz OWPQDRCFLOMLBE-UHFFFAOYSA-N 0 3 291.782 2.327 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H]1CCC[C@]1(C)CO ZINC000331163606 377310060 /nfs/dbraw/zinc/31/00/60/377310060.db2.gz LVJOKINRNSEMOS-JKSUJKDBSA-N 0 3 274.364 2.208 20 30 CEEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCCN(C)C2)CCOCC1 ZINC000424659530 377280796 /nfs/dbraw/zinc/28/07/96/377280796.db2.gz BIVLKOXOBASYJP-OAHLLOKOSA-N 0 3 294.439 2.160 20 30 CEEDHN C#CCNC(=O)CCNC1(c2ccc(Cl)cc2)CCC1 ZINC000292824010 377298643 /nfs/dbraw/zinc/29/86/43/377298643.db2.gz OGNVLBJBKJOGEZ-UHFFFAOYSA-N 0 3 290.794 2.448 20 30 CEEDHN Clc1ccc(C#CCN2CC[C@@H](c3nc[nH]n3)C2)cc1 ZINC000425556282 377372191 /nfs/dbraw/zinc/37/21/91/377372191.db2.gz ZZDYECIXYFYXGC-CYBMUJFWSA-N 0 3 286.766 2.299 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ncoc2C2CC2)CC1 ZINC000293089852 377423822 /nfs/dbraw/zinc/42/38/22/377423822.db2.gz NUGYTKRQDGZYPR-UHFFFAOYSA-N 0 3 289.379 2.322 20 30 CEEDHN CC#CCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000293204432 377469587 /nfs/dbraw/zinc/46/95/87/377469587.db2.gz QZFXCMYSDNDDFC-UHFFFAOYSA-N 0 3 293.298 2.018 20 30 CEEDHN Cc1cccc(OCCCNC(=O)C(C)C#N)c1C ZINC000428194920 377485767 /nfs/dbraw/zinc/48/57/67/377485767.db2.gz MONJMOMZQDOSTA-LBPRGKRZSA-N 0 3 260.337 2.348 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1nnc(C(C)C)o1 ZINC000429724459 377519414 /nfs/dbraw/zinc/51/94/14/377519414.db2.gz XCWSUDRDXNSBLB-UHFFFAOYSA-N 0 3 266.389 2.133 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1c(C)noc1C ZINC000429712603 377519598 /nfs/dbraw/zinc/51/95/98/377519598.db2.gz SKKNOQHYICFYJG-UHFFFAOYSA-N 0 3 251.374 2.231 20 30 CEEDHN C=CCN(C)CCN(CC)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000429704871 377520744 /nfs/dbraw/zinc/52/07/44/377520744.db2.gz XPEDHQDESMSFSS-HZPDHXFCSA-N 0 3 295.471 2.216 20 30 CEEDHN N#Cc1nccnc1NC[C@@H]1CCCN1Cc1ccccc1 ZINC000265136147 190160404 /nfs/dbraw/zinc/16/04/04/190160404.db2.gz OQXGTTHJNIRQBI-HNNXBMFYSA-N 0 3 293.374 2.425 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000333537342 377777090 /nfs/dbraw/zinc/77/70/90/377777090.db2.gz KIZKXKOQKWQCAI-MRRJBJDNSA-N 0 3 287.407 2.059 20 30 CEEDHN CN(C)CCn1nnnc1SCCCCC(C)(C)C#N ZINC000436202346 377819910 /nfs/dbraw/zinc/81/99/10/377819910.db2.gz DYRYNDUCEZHEMI-UHFFFAOYSA-N 0 3 296.444 2.047 20 30 CEEDHN COCCCN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433313050 377787184 /nfs/dbraw/zinc/78/71/84/377787184.db2.gz OQFPGOGITWWTCJ-OAHLLOKOSA-N 0 3 274.364 2.254 20 30 CEEDHN CCN(CCNC(=O)[C@H](C#N)CCc1ccccc1)C1CC1 ZINC000433347126 377789258 /nfs/dbraw/zinc/78/92/58/377789258.db2.gz KUDLAYXQSUNXGV-INIZCTEOSA-N 0 3 299.418 2.359 20 30 CEEDHN C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)C[C@H](C)O ZINC000433478953 377791596 /nfs/dbraw/zinc/79/15/96/377791596.db2.gz UMRRIPIZJXFPTC-IJEWVQPXSA-N 0 3 288.391 2.282 20 30 CEEDHN CSCCCN(C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000439466431 377925854 /nfs/dbraw/zinc/92/58/54/377925854.db2.gz HFPMZHSKFTVEHO-OCCSQVGLSA-N 0 3 285.457 2.114 20 30 CEEDHN COC[C@@]1(C)CCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000294185925 377932390 /nfs/dbraw/zinc/93/23/90/377932390.db2.gz KLPSBNDAZWIAGW-INIZCTEOSA-N 0 3 274.364 2.425 20 30 CEEDHN C[C@@H](N[C@H]1CC[C@@H](C#N)C1)C(=O)N1Cc2ccccc2C1 ZINC000442848839 378007717 /nfs/dbraw/zinc/00/77/17/378007717.db2.gz AXNGNENDPAQUGQ-IOASZLSFSA-N 0 3 283.375 2.199 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000442635416 377973664 /nfs/dbraw/zinc/97/36/64/377973664.db2.gz PPCVYOPNRWYZIK-KZNAEPCWSA-N 0 3 299.418 2.169 20 30 CEEDHN C[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)c(C#N)n2)CCN1C ZINC000443520186 378061138 /nfs/dbraw/zinc/06/11/38/378061138.db2.gz YVUXKQULIISSTJ-UWVGGRQHSA-N 0 3 298.312 2.289 20 30 CEEDHN CN(C)CCOc1cccc(NC(=O)N(C)CCC#N)c1 ZINC000444027628 378074191 /nfs/dbraw/zinc/07/41/91/378074191.db2.gz CNBAXHSLHJVOTO-UHFFFAOYSA-N 0 3 290.367 2.004 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)NC1CC1 ZINC000295268637 378078736 /nfs/dbraw/zinc/07/87/36/378078736.db2.gz VKXIAOLQODSFKH-CYBMUJFWSA-N 0 3 288.391 2.350 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@]1(CO)CCC ZINC000444767022 378080819 /nfs/dbraw/zinc/08/08/19/378080819.db2.gz OFJSHLLOFBWQFI-MRXNPFEDSA-N 0 3 282.428 2.038 20 30 CEEDHN C=C(C)COCCNCc1cc(C(=O)OCC)c(C)[nH]1 ZINC000449185141 378199032 /nfs/dbraw/zinc/19/90/32/378199032.db2.gz IVGJQVKLYAROIU-UHFFFAOYSA-N 0 3 280.368 2.182 20 30 CEEDHN C=CCCCNC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000447950464 378162793 /nfs/dbraw/zinc/16/27/93/378162793.db2.gz AGZSNRJSLAUFCT-ZIAGYGMSSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CC[C@@H](C)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447960577 378164957 /nfs/dbraw/zinc/16/49/57/378164957.db2.gz AKBPRSWFHAZJHP-CHWSQXEVSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccc(N(C)C(C)C)nc1 ZINC000449698673 378221375 /nfs/dbraw/zinc/22/13/75/378221375.db2.gz OJXKAUWZGJKKCG-HNNXBMFYSA-N 0 3 277.412 2.343 20 30 CEEDHN C=CCSCCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447979985 378167643 /nfs/dbraw/zinc/16/76/43/378167643.db2.gz BWEPHQZUDGGOOX-ZDUSSCGKSA-N 0 3 299.484 2.325 20 30 CEEDHN C=CCC[C@H](CO)NCc1cnc2c(C)cccn12 ZINC000449696611 378221780 /nfs/dbraw/zinc/22/17/80/378221780.db2.gz ILDNIOQUTQKUBK-CYBMUJFWSA-N 0 3 259.353 2.059 20 30 CEEDHN C[C@H]1C[C@@]1(C#N)C(=O)NCCCN1CCc2ccccc2C1 ZINC000448674257 378179284 /nfs/dbraw/zinc/17/92/84/378179284.db2.gz FJCAMUUJZVBFCD-KSSFIOAISA-N 0 3 297.402 2.101 20 30 CEEDHN C=C(C)CN1CCC(n2cc(C(=O)OCC)cn2)CC1 ZINC000295690826 378266499 /nfs/dbraw/zinc/26/64/99/378266499.db2.gz SPLZBTHKMAZCJS-UHFFFAOYSA-N 0 3 277.368 2.273 20 30 CEEDHN C=CCOc1ccc(CN2C[C@H](C)C[C@H](O)C2)cc1OC ZINC000449769201 378229068 /nfs/dbraw/zinc/22/90/68/378229068.db2.gz UOGPEGUJTWPRFM-HIFRSBDPSA-N 0 3 291.391 2.463 20 30 CEEDHN COc1ccc(CN2CC[C@H](CCCO)C2)cc1C#N ZINC000449794117 378233848 /nfs/dbraw/zinc/23/38/48/378233848.db2.gz ZTVQBGQWSMVRBK-ZDUSSCGKSA-N 0 3 274.364 2.161 20 30 CEEDHN C=CC(C)(C)C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000450118767 378299618 /nfs/dbraw/zinc/29/96/18/378299618.db2.gz BBKDIGFBUPRHNL-ZIAGYGMSSA-N 0 3 282.428 2.204 20 30 CEEDHN C[C@H](CNc1nccc(C#N)n1)N1CCCC[C@@H]1C ZINC000450258967 378330090 /nfs/dbraw/zinc/33/00/90/378330090.db2.gz UJDVHAIWUNJHQF-NWDGAFQWSA-N 0 3 259.357 2.023 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNc1nccc(C#N)n1 ZINC000450326763 378356324 /nfs/dbraw/zinc/35/63/24/378356324.db2.gz ZRBQPQFGOCQRNW-VXGBXAGGSA-N 0 3 259.357 2.023 20 30 CEEDHN C[C@H]1C[C@]1(C#N)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000450106858 378295753 /nfs/dbraw/zinc/29/57/53/378295753.db2.gz POQQYMKHXJHTTB-JSSFPYSZSA-N 0 3 297.402 2.315 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@]1(C#N)C[C@H]1C ZINC000450429274 378411329 /nfs/dbraw/zinc/41/13/29/378411329.db2.gz ZGWKNILVVWZGQQ-CKEIUWERSA-N 0 3 285.391 2.173 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000450705487 378538713 /nfs/dbraw/zinc/53/87/13/378538713.db2.gz XJQWWVHLDGEVRX-MRXNPFEDSA-N 0 3 275.396 2.013 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC/C=C/CC)CC1 ZINC000296741177 378634677 /nfs/dbraw/zinc/63/46/77/378634677.db2.gz VIPRUMZZVBLHEK-AATRIKPKSA-N 0 3 265.401 2.292 20 30 CEEDHN C[C@](O)(CNCc1ccc(C#N)o1)c1cccs1 ZINC000266158504 190235271 /nfs/dbraw/zinc/23/52/71/190235271.db2.gz MRRLYZSHTQNXER-ZDUSSCGKSA-N 0 3 262.334 2.210 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)Nc1ncccc1C#N ZINC000299068605 378890088 /nfs/dbraw/zinc/89/00/88/378890088.db2.gz APYRQYAWEDCGGO-OLZOCXBDSA-N 0 3 258.369 2.486 20 30 CEEDHN C[C@H]1CN(C)CC[C@H]1N(C)c1nc(Cl)c(C#N)s1 ZINC000278672367 194095772 /nfs/dbraw/zinc/09/57/72/194095772.db2.gz KFAXONUUGGWNQY-DTWKUNHWSA-N 0 3 284.816 2.445 20 30 CEEDHN N#C[C@H]1CC[C@H](N2CC[C@@H](Oc3ccncc3)C2)C1 ZINC000516494323 379288082 /nfs/dbraw/zinc/28/80/82/379288082.db2.gz HCTJFPMGBPHNEE-KCQAQPDRSA-N 0 3 257.337 2.227 20 30 CEEDHN C[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C(C)(C)C1 ZINC000266913258 190290001 /nfs/dbraw/zinc/29/00/01/190290001.db2.gz DUWQQZQCHXLORD-ZDUSSCGKSA-N 0 3 285.391 2.295 20 30 CEEDHN C#CCN(C[C@H](O)COc1ccc(C#N)cc1)C1CCCC1 ZINC000304973938 379603874 /nfs/dbraw/zinc/60/38/74/379603874.db2.gz AKBHGSXOGGSTBB-KRWDZBQOSA-N 0 3 298.386 2.176 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCN1CCCC[C@H]1CC ZINC000469399797 380070577 /nfs/dbraw/zinc/07/05/77/380070577.db2.gz LXGQPVQPROCFJU-BZUAXINKSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCc1cc(CN2C[C@@H](O)C[C@H]2C)cc(OC)c1O ZINC000471809192 380072369 /nfs/dbraw/zinc/07/23/69/380072369.db2.gz HIXHWQWBEMAXEM-RISCZKNCSA-N 0 3 277.364 2.084 20 30 CEEDHN C=CCN(C)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000487902764 380090863 /nfs/dbraw/zinc/09/08/63/380090863.db2.gz ACNSWZGAVKRVGD-CHWSQXEVSA-N 0 3 253.390 2.077 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000529715464 380184786 /nfs/dbraw/zinc/18/47/86/380184786.db2.gz HTRPHMLHYDANLD-HOCLYGCPSA-N 0 3 277.412 2.449 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530027663 380193010 /nfs/dbraw/zinc/19/30/10/380193010.db2.gz MTZHXSUTKSCDNY-ZFWWWQNUSA-N 0 3 263.385 2.059 20 30 CEEDHN CC1(C#N)CCC(Nc2ccc(N3CCNCC3)cn2)CC1 ZINC000333818419 380156036 /nfs/dbraw/zinc/15/60/36/380156036.db2.gz KLYOLGAJTJGUNS-UHFFFAOYSA-N 0 3 299.422 2.376 20 30 CEEDHN C=CCN(C(=O)[C@H]1CCCN(Cc2cccnc2)C1)C1CC1 ZINC000540134573 380250987 /nfs/dbraw/zinc/25/09/87/380250987.db2.gz QCZSOJJUBHZURM-INIZCTEOSA-N 0 3 299.418 2.471 20 30 CEEDHN CC#CCCNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000542634494 380307659 /nfs/dbraw/zinc/30/76/59/380307659.db2.gz UPSDFFXGRNSEEX-UHFFFAOYSA-N 0 3 289.379 2.162 20 30 CEEDHN C[C@@H]1CCN(CCNC(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000491961884 380400048 /nfs/dbraw/zinc/40/00/48/380400048.db2.gz ZOCPZAYORMYVPE-LMVHVUTASA-N 0 3 283.375 2.029 20 30 CEEDHN C=CCC1(CNC(=O)/C=C\CN(C)C)CCCC1 ZINC000493013197 380762735 /nfs/dbraw/zinc/76/27/35/380762735.db2.gz BCHGSLQIWNDYDK-FPLPWBNLSA-N 0 3 250.386 2.357 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@@]1(O)CCO[C@@H]1C ZINC000556092471 380871979 /nfs/dbraw/zinc/87/19/79/380871979.db2.gz WIVWFFVJRIXXFQ-ZBFHGGJFSA-N 0 3 261.365 2.215 20 30 CEEDHN C#CCCN1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000494160188 381152879 /nfs/dbraw/zinc/15/28/79/381152879.db2.gz RXEWJALNRVAHFG-CYBMUJFWSA-N 0 3 266.385 2.341 20 30 CEEDHN C=CCOCCN1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000495794837 381185282 /nfs/dbraw/zinc/18/52/82/381185282.db2.gz NKPSJWATGIUYNG-AWEZNQCLSA-N 0 3 298.427 2.378 20 30 CEEDHN C=CCCCCCN1CCN2C(=O)OCC[C@H]2C1 ZINC000496760502 381225915 /nfs/dbraw/zinc/22/59/15/381225915.db2.gz UVUBFJJXRLUTQI-ZDUSSCGKSA-N 0 3 252.358 2.259 20 30 CEEDHN C=C[C@@H]1CCCCN1C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496925165 381233995 /nfs/dbraw/zinc/23/39/95/381233995.db2.gz NOAWNRJNIFSHAC-ZIAGYGMSSA-N 0 3 298.427 2.255 20 30 CEEDHN CN(CCCSCC#N)CCNC(=O)OC(C)(C)C ZINC000496928066 381234277 /nfs/dbraw/zinc/23/42/77/381234277.db2.gz GOUAOXCKUUEKFE-UHFFFAOYSA-N 0 3 287.429 2.090 20 30 CEEDHN C=CCc1cc(CNCC2(CO)CCC2)cc(OC)c1O ZINC000184378361 542299057 /nfs/dbraw/zinc/29/90/57/542299057.db2.gz UZGMNAGSYWMGQR-UHFFFAOYSA-N 0 3 291.391 2.382 20 30 CEEDHN COCC[C@@H](COC)N[C@H](C)c1ccc(C#N)cc1 ZINC000311663766 285136345 /nfs/dbraw/zinc/13/63/45/285136345.db2.gz OHMXKNQLSXNYLQ-DOMZBBRYSA-N 0 3 262.353 2.260 20 30 CEEDHN CC(C#N)C(=O)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000347058912 533112594 /nfs/dbraw/zinc/11/25/94/533112594.db2.gz CIRDMFZIEICATD-ZDUSSCGKSA-N 0 3 294.358 2.043 20 30 CEEDHN Cn1cc(CN[C@H]2COc3ccc(F)cc3C2)cc1C#N ZINC000288703548 197149019 /nfs/dbraw/zinc/14/90/19/197149019.db2.gz YUOGSEBOYRFNOK-CQSZACIVSA-N 0 3 285.322 2.129 20 30 CEEDHN CN(C)CC1(NC(=O)Nc2cccc(C#N)c2)CCC1 ZINC000281410001 195229878 /nfs/dbraw/zinc/22/98/78/195229878.db2.gz RBFPRANVIKEFGG-UHFFFAOYSA-N 0 3 272.352 2.164 20 30 CEEDHN CC[C@H]1CN(CCOc2ccc(C#N)cc2)CCCO1 ZINC000281437269 195240328 /nfs/dbraw/zinc/24/03/28/195240328.db2.gz PRVMGBZMGWLHAS-HNNXBMFYSA-N 0 3 274.364 2.438 20 30 CEEDHN C[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)N(C)C1CC1 ZINC000333149072 260034629 /nfs/dbraw/zinc/03/46/29/260034629.db2.gz GOLOEDJHEWJSCR-MLGOLLRUSA-N 0 3 275.396 2.059 20 30 CEEDHN C=CCNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000365279216 262357415 /nfs/dbraw/zinc/35/74/15/262357415.db2.gz OQVMEJATDXYMOY-AAEUAGOBSA-N 0 3 279.409 2.226 20 30 CEEDHN CC[S@@](=O)[C@H]1CCC[C@H](NCc2cc(C#N)n(C)c2)C1 ZINC000191293723 130218254 /nfs/dbraw/zinc/21/82/54/130218254.db2.gz DAJJXFVTUHVLAB-ZQGRQUNCSA-N 0 3 293.436 2.066 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(c2cccc(C)c2)CC1 ZINC000268632199 134456467 /nfs/dbraw/zinc/45/64/67/134456467.db2.gz KSQINJJVFFAXLA-KRWDZBQOSA-N 0 3 274.408 2.444 20 30 CEEDHN CN(CC#N)CCC1CCN(c2ccncc2)CC1 ZINC000092820898 135077650 /nfs/dbraw/zinc/07/76/50/135077650.db2.gz BEDINUUGKJTIFK-UHFFFAOYSA-N 0 3 258.369 2.143 20 30 CEEDHN C=CCN1CCC(Nc2ccc3nnc(C4CC4)n3n2)CC1 ZINC000301393121 394460449 /nfs/dbraw/zinc/46/04/49/394460449.db2.gz IXAJCPUSHGSZJQ-UHFFFAOYSA-N 0 3 298.394 2.064 20 30 CEEDHN CC(C)[C@@H]1CN(C)CCN1c1ccc(Cl)c(C#N)n1 ZINC000301601351 394462498 /nfs/dbraw/zinc/46/24/98/394462498.db2.gz VJWPYKNRDRNLAT-ZDUSSCGKSA-N 0 3 278.787 2.383 20 30 CEEDHN C=CCc1cc(CNCC2(O)CCC2)cc(OC)c1O ZINC000304058761 394480228 /nfs/dbraw/zinc/48/02/28/394480228.db2.gz NNKKRJHAHJKIEA-UHFFFAOYSA-N 0 3 277.364 2.134 20 30 CEEDHN CC(C#N)C(=O)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000355670807 394496074 /nfs/dbraw/zinc/49/60/74/394496074.db2.gz GLWKUQVLEGACHY-UKRRQHHQSA-N 0 3 272.348 2.006 20 30 CEEDHN C[C@@H]1CN(CCCNc2ncc(C#N)cc2F)CCCO1 ZINC000413269155 394515846 /nfs/dbraw/zinc/51/58/46/394515846.db2.gz RYNXMZNGASLFME-GFCCVEGCSA-N 0 3 292.358 2.005 20 30 CEEDHN N#Cc1ccccc1CN1CCC(CN2CCOCC2)CC1 ZINC000051957812 394557233 /nfs/dbraw/zinc/55/72/33/394557233.db2.gz MTEGXMJBAGZAHD-UHFFFAOYSA-N 0 3 299.418 2.102 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2cn(C)nc2C2CC2)CCN1C ZINC000329537107 394570566 /nfs/dbraw/zinc/57/05/66/394570566.db2.gz BJJOFORPBCGJHU-ZYHUDNBSSA-N 0 3 276.384 2.085 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2ocnc2C2CC2)CCN1C ZINC000329645398 394579455 /nfs/dbraw/zinc/57/94/55/394579455.db2.gz ATOLOMUOQDKCJS-MWLCHTKSSA-N 0 3 263.341 2.339 20 30 CEEDHN CSC1(CNc2ncc(C#N)cc2F)CCN(C)CC1 ZINC000413317199 394525827 /nfs/dbraw/zinc/52/58/27/394525827.db2.gz YGWUNVWQIWAPLE-UHFFFAOYSA-N 0 3 294.399 2.332 20 30 CEEDHN CC(C)(CN1CCCC1)NC(=O)c1ccc(C#N)cc1 ZINC000308704093 394530493 /nfs/dbraw/zinc/53/04/93/394530493.db2.gz JAVXDWURWPIFJE-UHFFFAOYSA-N 0 3 271.364 2.162 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000248607698 394543770 /nfs/dbraw/zinc/54/37/70/394543770.db2.gz DJRVKXQLFKWIBU-CABCVRRESA-N 0 3 283.412 2.367 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000248830105 394548154 /nfs/dbraw/zinc/54/81/54/394548154.db2.gz MJJSPDHRHDSSCV-IIAWOOMASA-N 0 3 283.375 2.464 20 30 CEEDHN O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CCC(=O)N1 ZINC000329954313 394598302 /nfs/dbraw/zinc/59/83/02/394598302.db2.gz NUGDOPUNLQZTJE-RYUDHWBXSA-N 0 3 265.357 2.079 20 30 CEEDHN CN1CCC[C@]2(CCN(C(=O)c3cscc3C#N)C2)C1 ZINC000334235151 394666569 /nfs/dbraw/zinc/66/65/69/394666569.db2.gz AZVDGNAIQBKCKY-HNNXBMFYSA-N 0 3 289.404 2.178 20 30 CEEDHN COc1cnc(NC(=O)NCCN2CCCC[C@@H]2C)s1 ZINC000330487252 394614517 /nfs/dbraw/zinc/61/45/17/394614517.db2.gz GRORAFGFTLKUDF-JTQLQIEISA-N 0 3 298.412 2.352 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000359059529 394739247 /nfs/dbraw/zinc/73/92/47/394739247.db2.gz FFPSEDPYKMVGDH-KGLIPLIRSA-N 0 3 280.412 2.101 20 30 CEEDHN CC(C)N1CCCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000334517931 394694894 /nfs/dbraw/zinc/69/48/94/394694894.db2.gz MHBDKRWQMNUIFV-GJZGRUSLSA-N 0 3 292.427 2.194 20 30 CEEDHN CN(C)C1(CN(C)C(=O)C2(C#N)CCCCC2)CCC1 ZINC000097932573 394699980 /nfs/dbraw/zinc/69/99/80/394699980.db2.gz GAMORVHUWIZCGD-UHFFFAOYSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCc1cc(CN2C[C@H](O)C[C@H](C)C2)cc(OC)c1O ZINC000414521304 394746555 /nfs/dbraw/zinc/74/65/55/394746555.db2.gz FGYOTFJDSILLQJ-SWLSCSKDSA-N 0 3 291.391 2.332 20 30 CEEDHN CC[C@H](C)[C@@H](C)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115606139 394755887 /nfs/dbraw/zinc/75/58/87/394755887.db2.gz XPCQYXFAGWNUTE-WDMOLILDSA-N 0 3 259.353 2.109 20 30 CEEDHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000118398322 394761521 /nfs/dbraw/zinc/76/15/21/394761521.db2.gz RNOCZNSRPQZQJG-WFASDCNBSA-N 0 3 295.390 2.378 20 30 CEEDHN C[C@H](NCCCC#N)c1ccc([S@@](C)=O)cc1 ZINC000271776014 394764378 /nfs/dbraw/zinc/76/43/78/394764378.db2.gz FZEDNSCKQFTSOS-APPDUMDISA-N 0 3 250.367 2.378 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NCCN(C)CCCC ZINC000359688805 394772321 /nfs/dbraw/zinc/77/23/21/394772321.db2.gz PHRCLBIJEOHJJV-CYBMUJFWSA-N 0 3 255.406 2.372 20 30 CEEDHN CC[C@@H](C(=O)N(CC#N)C1CCCC1)N(CC)CC ZINC000359788314 394776556 /nfs/dbraw/zinc/77/65/56/394776556.db2.gz HBOVPZBTQHFUCX-AWEZNQCLSA-N 0 3 265.401 2.402 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2CCCN(C)[C@@H]2C)CCC1 ZINC000359889041 394778878 /nfs/dbraw/zinc/77/88/78/394778878.db2.gz WWUKPPBZZRGPAE-OLZOCXBDSA-N 0 3 250.386 2.332 20 30 CEEDHN CN(C(=O)[C@@]1(C#N)CC12CCCC2)[C@H]1CCN(C2CC2)C1 ZINC000335651291 394785667 /nfs/dbraw/zinc/78/56/67/394785667.db2.gz TVMSQJCWQBDGKN-YOEHRIQHSA-N 0 3 287.407 2.156 20 30 CEEDHN CC(C#N)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000335688959 394789171 /nfs/dbraw/zinc/78/91/71/394789171.db2.gz SVYKREANUIBIDB-DZGCQCFKSA-N 0 3 271.364 2.273 20 30 CEEDHN Cc1c2ccccc2n(C)c1CNC(=O)C(C)C#N ZINC000335701756 394790770 /nfs/dbraw/zinc/79/07/70/394790770.db2.gz JMEQSENVIRFFIA-JTQLQIEISA-N 0 3 255.321 2.263 20 30 CEEDHN N#CCCCC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000360157419 394791158 /nfs/dbraw/zinc/79/11/58/394791158.db2.gz UWAHQGWSYGPPHS-CQSZACIVSA-N 0 3 263.385 2.157 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(CC1CC1)CC1CC1 ZINC000360327288 394797307 /nfs/dbraw/zinc/79/73/07/394797307.db2.gz WAWMSXYLUBJFHW-UHFFFAOYSA-N 0 3 262.397 2.309 20 30 CEEDHN CC(C#N)C(=O)N[C@H](CCO)c1ccc(Cl)cc1 ZINC000360480254 394801274 /nfs/dbraw/zinc/80/12/74/394801274.db2.gz VZRRBPYTLIFKQQ-JOYOIKCWSA-N 0 3 266.728 2.039 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H]3CCC[C@@H]32)CC1 ZINC000335848631 394803707 /nfs/dbraw/zinc/80/37/07/394803707.db2.gz ZJVOWUJPCBVYKJ-ZFWWWQNUSA-N 0 3 277.412 2.221 20 30 CEEDHN CC(C#N)C(=O)N1CCSC[C@H]1c1ccccc1 ZINC000335904143 394810059 /nfs/dbraw/zinc/81/00/59/394810059.db2.gz VYPJSUGPOSSJQJ-YPMHNXCESA-N 0 3 260.362 2.463 20 30 CEEDHN C=CCc1cc(CN2CC[C@H](O)C2(C)C)cc(OC)c1O ZINC000361064696 394814200 /nfs/dbraw/zinc/81/42/00/394814200.db2.gz GAGKCIWWNUHCOL-HNNXBMFYSA-N 0 3 291.391 2.475 20 30 CEEDHN CCCCN(C)CCNC(=O)c1ccc(C#N)cc1C ZINC000122587355 394814811 /nfs/dbraw/zinc/81/48/11/394814811.db2.gz ZCWOERKXNPKCCQ-UHFFFAOYSA-N 0 3 273.380 2.328 20 30 CEEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1COCCO1 ZINC000336823049 394879546 /nfs/dbraw/zinc/87/95/46/394879546.db2.gz NYDSPGDZKIJLRN-MRXNPFEDSA-N 0 3 274.364 2.184 20 30 CEEDHN CCCN(CCN(C)C)C(=O)CCc1ccc(C#N)cc1 ZINC000123782966 394831116 /nfs/dbraw/zinc/83/11/16/394831116.db2.gz QYMYRXOILSEPJZ-UHFFFAOYSA-N 0 3 287.407 2.291 20 30 CEEDHN CC[C@@H](N[C@@H](C)C(=O)N(C)C)c1ccc(C#N)cc1 ZINC000278884733 394838133 /nfs/dbraw/zinc/83/81/33/394838133.db2.gz YDXWCVZKCJHBQU-SMDDNHRTSA-N 0 3 259.353 2.076 20 30 CEEDHN Cc1cc(CN[C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)on1 ZINC000362033008 394842299 /nfs/dbraw/zinc/84/22/99/394842299.db2.gz RJKROCIXZKOPKS-NGFQHRJXSA-N 0 3 275.352 2.313 20 30 CEEDHN CC(C#N)C(=O)N1CCC(Cc2cccnc2)CC1 ZINC000336369700 394848389 /nfs/dbraw/zinc/84/83/89/394848389.db2.gz YCSLJQHBPUQZHW-GFCCVEGCSA-N 0 3 257.337 2.022 20 30 CEEDHN CC(C)N(CCc1nccs1)C(=O)C(C)C#N ZINC000338377564 394918554 /nfs/dbraw/zinc/91/85/54/394918554.db2.gz XWSGFOAOPBJGPU-SNVBAGLBSA-N 0 3 251.355 2.082 20 30 CEEDHN C=CCn1c(CCN2CCCCC2)nnc1SC ZINC000338776875 394928792 /nfs/dbraw/zinc/92/87/92/394928792.db2.gz VUDRRBMITOMPSX-UHFFFAOYSA-N 0 3 266.414 2.214 20 30 CEEDHN C=CCNC(=O)CN[C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000283504629 394934561 /nfs/dbraw/zinc/93/45/61/394934561.db2.gz ZBCLWMMSERTBFQ-QEJZJMRPSA-N 0 3 258.365 2.070 20 30 CEEDHN CC[C@H](NCCOCCC#N)c1ccc2c(c1)OCCO2 ZINC000339072163 394940578 /nfs/dbraw/zinc/94/05/78/394940578.db2.gz TWWLEATXYHBJOE-AWEZNQCLSA-N 0 3 290.363 2.429 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(CCC)CCN(C)C)OCC ZINC000339349712 394956721 /nfs/dbraw/zinc/95/67/21/394956721.db2.gz TWUZOLXCLAKHND-AWEZNQCLSA-N 0 3 270.417 2.158 20 30 CEEDHN C=CCCOCCN[C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000285913259 394983555 /nfs/dbraw/zinc/98/35/55/394983555.db2.gz BZOBSPQTGDQKQV-LBPRGKRZSA-N 0 3 290.363 2.261 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CCC[C@H]1SCC ZINC000286168924 395016310 /nfs/dbraw/zinc/01/63/10/395016310.db2.gz OLQPSVPPAFOHGD-ZIAGYGMSSA-N 0 3 282.453 2.451 20 30 CEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1cnccc1C#N ZINC000286288510 395018183 /nfs/dbraw/zinc/01/81/83/395018183.db2.gz IPLFEGYTIZDXNV-TZMCWYRMSA-N 0 3 256.353 2.016 20 30 CEEDHN C=CCOc1cccc(CN2CCC[C@@H](CO)C2)c1 ZINC000154607308 395023276 /nfs/dbraw/zinc/02/32/76/395023276.db2.gz AKVUKSJBPOFTMM-OAHLLOKOSA-N 0 3 261.365 2.456 20 30 CEEDHN C=CCCOCCCCC(=O)N1CCN(C)CC[C@H]1C ZINC000342866546 395025241 /nfs/dbraw/zinc/02/52/41/395025241.db2.gz FARJQKIYFKBEDB-OAHLLOKOSA-N 0 3 282.428 2.302 20 30 CEEDHN C#CCN(CCC1OCCCO1)Cc1ccccc1 ZINC000285770412 394963074 /nfs/dbraw/zinc/96/30/74/394963074.db2.gz SBCOIKYCRREZLA-UHFFFAOYSA-N 0 3 259.349 2.275 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](CC2CC2)C1 ZINC000339680434 394967230 /nfs/dbraw/zinc/96/72/30/394967230.db2.gz VDWJOPQNDKKRJQ-GOEBONIOSA-N 0 3 277.412 2.163 20 30 CEEDHN C=CCC1(C(=O)NCC2(N(C)C)CC2)CCCC1 ZINC000416310210 395053725 /nfs/dbraw/zinc/05/37/25/395053725.db2.gz DACPRXMMRMAAFD-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000345691560 395073543 /nfs/dbraw/zinc/07/35/43/395073543.db2.gz AYAXOJYXEBKLIA-OAGGEKHMSA-N 0 3 294.439 2.204 20 30 CEEDHN C[C@H](N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1cccc(C#N)c1 ZINC000374585791 395083916 /nfs/dbraw/zinc/08/39/16/395083916.db2.gz PSIRUJLJYKXOLF-MAZHCROVSA-N 0 3 283.375 2.362 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NCc2ccnc(-n3ccnc3)c2)C1 ZINC000375876418 395102566 /nfs/dbraw/zinc/10/25/66/395102566.db2.gz QKYRBQZXQPCHMY-DZGCQCFKSA-N 0 3 281.363 2.439 20 30 CEEDHN C=CCCC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346180429 395090075 /nfs/dbraw/zinc/09/00/75/395090075.db2.gz GWVNXOQEMCMHNT-HZSPNIEDSA-N 0 3 250.386 2.141 20 30 CEEDHN CC(C#N)C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000346301387 395094752 /nfs/dbraw/zinc/09/47/52/395094752.db2.gz PRTZYJODDPSHRT-YPMHNXCESA-N 0 3 250.342 2.096 20 30 CEEDHN C=CCN(C)C(=O)CCN1CCc2ccccc2C1 ZINC000416211536 395032194 /nfs/dbraw/zinc/03/21/94/395032194.db2.gz WFOAJYYAGLNTLU-UHFFFAOYSA-N 0 3 258.365 2.079 20 30 CEEDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)C#Cc1ccccc1 ZINC000287037598 395033263 /nfs/dbraw/zinc/03/32/63/395033263.db2.gz ISOUNLLBXLGODI-DOTOQJQBSA-N 0 3 282.387 2.123 20 30 CEEDHN Cc1ccc(C#N)c(N2CCN(C)[C@H](C(C)C)C2)n1 ZINC000343213956 395034150 /nfs/dbraw/zinc/03/41/50/395034150.db2.gz GONMHSUWPDUXQO-AWEZNQCLSA-N 0 3 258.369 2.038 20 30 CEEDHN N#CCCCN1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000372523106 395042923 /nfs/dbraw/zinc/04/29/23/395042923.db2.gz OEKWSXDPCDFOLC-AWEZNQCLSA-N 0 3 283.379 2.288 20 30 CEEDHN C=CCCCN(C)[C@@H](C)C(=O)N(CC=C)CC=C ZINC000346956048 395114627 /nfs/dbraw/zinc/11/46/27/395114627.db2.gz CBGFZMLQBOQXJR-AWEZNQCLSA-N 0 3 250.386 2.474 20 30 CEEDHN Cc1ccccc1[C@@H](C)NCC(=O)NC1(C#N)CCC1 ZINC000347005178 395116431 /nfs/dbraw/zinc/11/64/31/395116431.db2.gz DMHRCWCLBXHOCI-CYBMUJFWSA-N 0 3 271.364 2.208 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000347731140 395129268 /nfs/dbraw/zinc/12/92/68/395129268.db2.gz ZTYGUFREPQHTIG-YRGRVCCFSA-N 0 3 258.321 2.135 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H]1CCc2c1ccc(OC)c2F ZINC000290467574 395104936 /nfs/dbraw/zinc/10/49/36/395104936.db2.gz WVJAVXYRYIGBGQ-GXFFZTMASA-N 0 3 265.328 2.348 20 30 CEEDHN C#CCCCCNCc1cnc(C2OCCO2)s1 ZINC000290489983 395105665 /nfs/dbraw/zinc/10/56/65/395105665.db2.gz VXGKKGOBNACVSM-UHFFFAOYSA-N 0 3 266.366 2.082 20 30 CEEDHN C#Cc1ccccc1CC(=O)N1CCCN(C(C)C)CC1 ZINC000290575150 395109001 /nfs/dbraw/zinc/10/90/01/395109001.db2.gz VPOGZFZGUAMZPI-UHFFFAOYSA-N 0 3 284.403 2.153 20 30 CEEDHN CC(C)CCN(CC(=O)NC1(C#N)CCC1)C1CC1 ZINC000346844431 395111249 /nfs/dbraw/zinc/11/12/49/395111249.db2.gz LNXXFOVREVDECJ-UHFFFAOYSA-N 0 3 263.385 2.059 20 30 CEEDHN N#Cc1ccc(CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)cc1 ZINC000377167895 395134058 /nfs/dbraw/zinc/13/40/58/395134058.db2.gz GNPMGYIVGJTKTG-OAGGEKHMSA-N 0 3 283.375 2.177 20 30 CEEDHN C=CCN(C)CCN(CC)CCOc1ccc(C#N)cc1 ZINC000429723418 395158951 /nfs/dbraw/zinc/15/89/51/395158951.db2.gz UXIKCIGSLJBYRM-UHFFFAOYSA-N 0 3 287.407 2.377 20 30 CEEDHN C[C@@H](c1ccccc1)[C@@H](NCc1ccc(C#N)cc1)C(N)=O ZINC000428825818 395155183 /nfs/dbraw/zinc/15/51/83/395155183.db2.gz BMCLDEOPQJSXLI-SUMWQHHRSA-N 0 3 293.370 2.305 20 30 CEEDHN CC(C)(C#N)CNC(=O)NCC(C)(C)N1CCCCC1 ZINC000349583904 395171978 /nfs/dbraw/zinc/17/19/78/395171978.db2.gz GEQLEMYUPKMOAU-UHFFFAOYSA-N 0 3 280.416 2.100 20 30 CEEDHN C[C@@H](Cc1ccccc1)CN1CCN(CC#N)CC1 ZINC000182036104 395230705 /nfs/dbraw/zinc/23/07/05/395230705.db2.gz GBCIBMWZKLLMDL-HNNXBMFYSA-N 0 3 257.381 2.006 20 30 CEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCCCC#N ZINC000351813873 395233412 /nfs/dbraw/zinc/23/34/12/395233412.db2.gz WSIDPROTLREHSH-CYBMUJFWSA-N 0 3 280.416 2.052 20 30 CEEDHN C=CCCCN[C@](C)(CC(=O)OC)c1ccccn1 ZINC000351820533 395236237 /nfs/dbraw/zinc/23/62/37/395236237.db2.gz DTVBRUQOHUZXCQ-OAHLLOKOSA-N 0 3 262.353 2.416 20 30 CEEDHN CC[C@@H]1[C@H](CO)CCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000521254958 395253652 /nfs/dbraw/zinc/25/36/52/395253652.db2.gz RYIJFAUDDBQAGK-UONOGXRCSA-N 0 3 289.335 2.059 20 30 CEEDHN C=CCOCCN1CCC(CO)(c2ccccc2)CC1 ZINC000293584643 395242196 /nfs/dbraw/zinc/24/21/96/395242196.db2.gz NWVRTXLABDJPRH-UHFFFAOYSA-N 0 3 275.392 2.215 20 30 CEEDHN C=CCOCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000293672040 395246671 /nfs/dbraw/zinc/24/66/71/395246671.db2.gz UYEXPVYDXNYDJP-UHFFFAOYSA-N 0 3 264.325 2.272 20 30 CEEDHN Cc1nc(N[C@@H]2CN(C3CC3)C[C@@H]2C)ccc1C#N ZINC000292100590 395185926 /nfs/dbraw/zinc/18/59/26/395185926.db2.gz ZHILMXPZYAKTNF-IINYFYTJSA-N 0 3 256.353 2.156 20 30 CEEDHN COC[C@H](NCc1ccc(C#N)c(C)c1)[C@@H]1CCCO1 ZINC000433209855 395215702 /nfs/dbraw/zinc/21/57/02/395215702.db2.gz SXZCQOGNQDMLQX-HOTGVXAUSA-N 0 3 274.364 2.150 20 30 CEEDHN CCc1ccc(C#CC(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000293029499 395216131 /nfs/dbraw/zinc/21/61/31/395216131.db2.gz GDUNLFNSICLWRG-QGZVFWFLSA-N 0 3 284.403 2.153 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(C)c(Cl)c1F ZINC000293859013 395254695 /nfs/dbraw/zinc/25/46/95/395254695.db2.gz AZMLGSIXVSKDOG-UHFFFAOYSA-N 0 3 296.773 2.472 20 30 CEEDHN C=C[C@](C)(CC)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000352992878 395282607 /nfs/dbraw/zinc/28/26/07/395282607.db2.gz RZKHFFZWXVZTPI-ZIAGYGMSSA-N 0 3 270.442 2.142 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000353004014 395283808 /nfs/dbraw/zinc/28/38/08/395283808.db2.gz BAVOJHYSNKKSNA-UXIGCNINSA-N 0 3 250.386 2.188 20 30 CEEDHN C=CC1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528379812 395289888 /nfs/dbraw/zinc/28/98/88/395289888.db2.gz LURCIPOSTDSFIW-INIZCTEOSA-N 0 3 286.375 2.196 20 30 CEEDHN N#Cc1ccc(O[C@H]2CCN(CC3CC(F)(F)C3)C2)nc1 ZINC000295214644 395290648 /nfs/dbraw/zinc/29/06/48/395290648.db2.gz PXYAVBWWPVAPIN-ZDUSSCGKSA-N 0 3 293.317 2.452 20 30 CEEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1ccccc1C#N ZINC000528481538 395290945 /nfs/dbraw/zinc/29/09/45/395290945.db2.gz XICATFYRGIUCMF-CVEARBPZSA-N 0 3 286.375 2.338 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H]2CCC[C@H]2C1 ZINC000408246787 395295426 /nfs/dbraw/zinc/29/54/26/395295426.db2.gz OYFAVKSVZFMDSV-ORIJERBGSA-N 0 3 277.412 2.161 20 30 CEEDHN CCCN(C[C@@H]1CCCCO1)[C@H](C)C(=O)N(C)CCC#N ZINC000411370438 395326318 /nfs/dbraw/zinc/32/63/18/395326318.db2.gz UDOABFGTGZCODJ-CABCVRRESA-N 0 3 295.427 2.028 20 30 CEEDHN CC(C)(C)[C@H](NCCC1(C#N)CCCCC1)C(N)=O ZINC000411369709 395326699 /nfs/dbraw/zinc/32/66/99/395326699.db2.gz QTGCZPRGZARLIU-GFCCVEGCSA-N 0 3 265.401 2.340 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(C)CC1(N(C)C)CCC1)OCC ZINC000354177064 395318950 /nfs/dbraw/zinc/31/89/50/395318950.db2.gz YIHQZVGJTMDVMB-AWEZNQCLSA-N 0 3 282.428 2.300 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)CCOC)CC1 ZINC000354191621 395319155 /nfs/dbraw/zinc/31/91/55/395319155.db2.gz NXJMREORADOIMV-UHFFFAOYSA-N 0 3 297.443 2.141 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(CN3CCOCC3)c2)C1 ZINC000442708583 395391021 /nfs/dbraw/zinc/39/10/21/395391021.db2.gz JSXQPONMBWCERU-CRAIPNDOSA-N 0 3 299.418 2.301 20 30 CEEDHN CC[C@](C)(NCCC1(C#N)CCCCC1)C(N)=O ZINC000411394946 395327976 /nfs/dbraw/zinc/32/79/76/395327976.db2.gz UNCLWWOZCDHTIE-ZDUSSCGKSA-N 0 3 251.374 2.094 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(C[C@H](C)OC)C(C)C ZINC000354368423 395328751 /nfs/dbraw/zinc/32/87/51/395328751.db2.gz OTIDNIFIOKDJCL-AWEZNQCLSA-N 0 3 270.417 2.156 20 30 CEEDHN COc1cc(CN2C[C@H](C)N(C)C[C@H]2C)ccc1C#N ZINC000442843387 395396190 /nfs/dbraw/zinc/39/61/90/395396190.db2.gz SLBSSKYSSHFTNF-QWHCGFSZSA-N 0 3 273.380 2.091 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000411691183 395335632 /nfs/dbraw/zinc/33/56/32/395335632.db2.gz NBWZAWZHYNMCJG-VXGBXAGGSA-N 0 3 277.372 2.007 20 30 CEEDHN C[C@@H](CCC#N)N1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000411659366 395336031 /nfs/dbraw/zinc/33/60/31/395336031.db2.gz GGHPBFMJRSSWGI-DZGCQCFKSA-N 0 3 266.385 2.339 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CC(C)(C)COC)CC1 ZINC000412047607 395346955 /nfs/dbraw/zinc/34/69/55/395346955.db2.gz WFYUNAWWXJSGKX-UHFFFAOYSA-N 0 3 282.428 2.206 20 30 CEEDHN CO[C@@H](C)CNCc1cccc(OCCCC#N)c1 ZINC000191149356 395349942 /nfs/dbraw/zinc/34/99/42/395349942.db2.gz XWKYNVALTSPYQN-ZDUSSCGKSA-N 0 3 262.353 2.494 20 30 CEEDHN N#CC1(NC(=O)C2CCN(C3CC3)CC2)CCCCC1 ZINC000195320476 395464226 /nfs/dbraw/zinc/46/42/26/395464226.db2.gz HVYLFSOLYJLVTP-UHFFFAOYSA-N 0 3 275.396 2.203 20 30 CEEDHN CC(C)CN(CCN(C)C)C(=O)c1sccc1C#N ZINC000355300291 395402638 /nfs/dbraw/zinc/40/26/38/395402638.db2.gz BLZLKQYJFNGHQK-UHFFFAOYSA-N 0 3 279.409 2.280 20 30 CEEDHN CCN(CC)C(=O)C[C@@H](C)NCc1ccc(CC#N)cc1 ZINC000567856367 395536457 /nfs/dbraw/zinc/53/64/57/395536457.db2.gz IQZALVFYDLHXBL-CQSZACIVSA-N 0 3 287.407 2.489 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(C)(C2CC2)CC1 ZINC000573369917 395606986 /nfs/dbraw/zinc/60/69/86/395606986.db2.gz PVUGNKLGSUZLLK-ZDUSSCGKSA-N 0 3 289.423 2.449 20 30 CEEDHN N#Cc1cnn2cc(CNCCC[C@@H]3CCCCO3)cnc12 ZINC000573848161 395621121 /nfs/dbraw/zinc/62/11/21/395621121.db2.gz VKMVFDCADLUHOJ-HNNXBMFYSA-N 0 3 299.378 2.040 20 30 CEEDHN Cc1cc(CNCCOC[C@@H]2CCCO2)ccc1C#N ZINC000573667059 395613707 /nfs/dbraw/zinc/61/37/07/395613707.db2.gz ZEJBKZFNZAAEHM-INIZCTEOSA-N 0 3 274.364 2.152 20 30 CEEDHN CC[C@@H]1[C@@H](CO)CCN1Cc1cc(C#N)cs1 ZINC000449424282 395548162 /nfs/dbraw/zinc/54/81/62/395548162.db2.gz OVLHSJDWKBSWEW-DGCLKSJQSA-N 0 3 250.367 2.213 20 30 CEEDHN C=CCCCCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000569017029 395572339 /nfs/dbraw/zinc/57/23/39/395572339.db2.gz ISWPEOMDUIBWKX-ZDUSSCGKSA-N 0 3 265.401 2.269 20 30 CEEDHN CC(C)(C)N1CCCN(C(=O)CCCC#N)CC1 ZINC000569777491 395580423 /nfs/dbraw/zinc/58/04/23/395580423.db2.gz NXYBGNIEHDOIJE-UHFFFAOYSA-N 0 3 251.374 2.013 20 30 CEEDHN CO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000451631696 395623881 /nfs/dbraw/zinc/62/38/81/395623881.db2.gz IOOXABXWXCRRGQ-NILFDRSVSA-N 0 3 287.363 2.042 20 30 CEEDHN CC(C)(C)CCN1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000574338921 395628443 /nfs/dbraw/zinc/62/84/43/395628443.db2.gz GTSFOHIHDKTOHO-UHFFFAOYSA-N 0 3 287.411 2.094 20 30 CEEDHN N#Cc1ccc(OCCN2CC3(CCC3)[C@H]3COC[C@@H]32)cc1 ZINC000459743035 395666702 /nfs/dbraw/zinc/66/67/02/395666702.db2.gz ZFNLELVKWNLOTK-IRXDYDNUSA-N 0 3 298.386 2.438 20 30 CEEDHN CO[C@@H]1C[C@H](NCC(=O)Nc2cccc(C#N)c2)C12CCC2 ZINC000459739198 395666713 /nfs/dbraw/zinc/66/67/13/395666713.db2.gz ATTLZUJLCQRXNU-LSDHHAIUSA-N 0 3 299.374 2.044 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCCN(c2ccccc2)CC1 ZINC000649253619 396103178 /nfs/dbraw/zinc/10/31/78/396103178.db2.gz GCYPHSIXQOSXBO-MRXNPFEDSA-N 0 3 260.381 2.136 20 30 CEEDHN C=CCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000649748595 396249261 /nfs/dbraw/zinc/24/92/61/396249261.db2.gz ALXQBSBTJUGEMA-IRXDYDNUSA-N 0 3 272.392 2.148 20 30 CEEDHN CC#CCN1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000646072966 396284504 /nfs/dbraw/zinc/28/45/04/396284504.db2.gz MEZGIVPGFXREJF-DLBZAZTESA-N 0 3 257.377 2.468 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)C(C)(C)c1ccccc1 ZINC000181782802 400289806 /nfs/dbraw/zinc/28/98/06/400289806.db2.gz DOCORGXLBUAEMM-CYBMUJFWSA-N 0 3 260.381 2.245 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000347313787 400371143 /nfs/dbraw/zinc/37/11/43/400371143.db2.gz OIELKLDDIYUQFK-WBVHZDCISA-N 0 3 294.439 2.348 20 30 CEEDHN C[C@@H](CNC(=O)c1cscc1C#N)N1CCC[C@@H](C)C1 ZINC000432715552 400576087 /nfs/dbraw/zinc/57/60/87/400576087.db2.gz ZPPAXHBQTFBFPX-NEPJUHHUSA-N 0 3 291.420 2.470 20 30 CEEDHN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)C(C)C#N ZINC000491715748 400595533 /nfs/dbraw/zinc/59/55/33/400595533.db2.gz FRTHYOXSWBXEOQ-NHYWBVRUSA-N 0 3 297.399 2.202 20 30 CEEDHN C=CCOc1ccccc1CN[C@H](CO)CCF ZINC000652014683 401432235 /nfs/dbraw/zinc/43/22/35/401432235.db2.gz HDEAJTBOEQXNBF-ZDUSSCGKSA-N 0 3 253.317 2.062 20 30 CEEDHN CCN(C)C(=O)CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360884978 155393823 /nfs/dbraw/zinc/39/38/23/155393823.db2.gz QZLHNAIKSLVNFU-INIZCTEOSA-N 0 3 285.391 2.394 20 30 CEEDHN CO[C@@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000282434937 154161350 /nfs/dbraw/zinc/16/13/50/154161350.db2.gz RNNFPPPRSNRVFZ-WQVCFCJDSA-N 0 3 274.364 2.091 20 30 CEEDHN CCN1CCN(Cc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000352659119 154323708 /nfs/dbraw/zinc/32/37/08/154323708.db2.gz LNTSMBWABALGMU-GFCCVEGCSA-N 0 3 261.344 2.223 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H]3OCC[C@H]3C2)cc1F ZINC000376047090 157178067 /nfs/dbraw/zinc/17/80/67/157178067.db2.gz SRVJXSPDHOGZAK-DZGCQCFKSA-N 0 3 260.312 2.308 20 30 CEEDHN C[C@@H]1COCC[C@H]1CNCc1ccc(C#N)cc1F ZINC000285560767 196326729 /nfs/dbraw/zinc/32/67/29/196326729.db2.gz RNYCQAFZEBEVRM-YPMHNXCESA-N 0 3 262.328 2.460 20 30 CEEDHN CN1CCC[C@@H]1CNC(=O)c1cc(C#N)ccc1Cl ZINC000285572104 196330680 /nfs/dbraw/zinc/33/06/80/196330680.db2.gz NTLBRVHJXRMFIS-LLVKDONJSA-N 0 3 277.755 2.036 20 30 CEEDHN C=CCCn1cc(CNC[C@H](C)N2CCC[C@H](C)C2)nn1 ZINC000657310558 414852613 /nfs/dbraw/zinc/85/26/13/414852613.db2.gz MWUPYOUDMOXDSG-GJZGRUSLSA-N 0 3 291.443 2.064 20 30 CEEDHN CC#CCCCC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654319704 414906083 /nfs/dbraw/zinc/90/60/83/414906083.db2.gz PESJTPVQRXXTMD-LSDHHAIUSA-N 0 3 262.397 2.313 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654314198 414902057 /nfs/dbraw/zinc/90/20/57/414902057.db2.gz HGSYLGMGRXUXSL-STQMWFEESA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCN(C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CC1 ZINC000654731091 415021081 /nfs/dbraw/zinc/02/10/81/415021081.db2.gz BWIQFRJEJYAPPM-CABCVRRESA-N 0 3 277.412 2.363 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000660855613 415011642 /nfs/dbraw/zinc/01/16/42/415011642.db2.gz RRESQDNJLAGAKP-KBPBESRZSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CC[C@H]1CCCN(CC(=O)NCC2CCC2)C1 ZINC000661381025 415232099 /nfs/dbraw/zinc/23/20/99/415232099.db2.gz TWVONVUQUFUTEO-AWEZNQCLSA-N 0 3 250.386 2.191 20 30 CEEDHN C=CCCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000661572073 415332302 /nfs/dbraw/zinc/33/23/02/415332302.db2.gz FIBHJYYTRMCNLX-CQSZACIVSA-N 0 3 261.369 2.165 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@@H](N(C)c2ccccc2)C1 ZINC000662019370 415574982 /nfs/dbraw/zinc/57/49/82/415574982.db2.gz GRCAIDASDHOTHS-CVEARBPZSA-N 0 3 260.381 2.134 20 30 CEEDHN C=CCC1(NC(=O)N[C@H](CN)C(F)(F)F)CCCCC1 ZINC000655930864 415554431 /nfs/dbraw/zinc/55/44/31/415554431.db2.gz DLQCZWXCKFXSCM-SNVBAGLBSA-N 0 3 293.333 2.454 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCN1C(=O)c2ccccc2C1=O ZINC000662081695 415614796 /nfs/dbraw/zinc/61/47/96/415614796.db2.gz QYPBQAOEVZNGFL-OKILXGFUSA-N 0 3 296.370 2.466 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cnc(OC)nc1C ZINC000662089831 415619594 /nfs/dbraw/zinc/61/95/94/415619594.db2.gz GKESWXQPLJXRTO-OKILXGFUSA-N 0 3 259.353 2.477 20 30 CEEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCCN(C)CC1 ZINC000665398090 415726115 /nfs/dbraw/zinc/72/61/15/415726115.db2.gz YKWQGRFYGVJHTD-LSDHHAIUSA-N 0 3 279.428 2.468 20 30 CEEDHN CN(C)[C@H](CNc1nccnc1C#N)c1ccccc1 ZINC000072082087 176312995 /nfs/dbraw/zinc/31/29/95/176312995.db2.gz FQHSTBMURUAXJE-CQSZACIVSA-N 0 3 267.336 2.063 20 30 CEEDHN C=CCn1c(SCCN(C)C)nnc1-c1ccco1 ZINC000078658647 177367364 /nfs/dbraw/zinc/36/73/64/177367364.db2.gz WQHVTPXUAWWLDV-UHFFFAOYSA-N 0 3 278.381 2.378 20 30 CEEDHN C[C@@H]1[C@@H](C)N(Cc2ccc(CC#N)cc2)CCN1C ZINC000334957358 225375535 /nfs/dbraw/zinc/37/55/35/225375535.db2.gz UXNYWQBEURAOKL-ZIAGYGMSSA-N 0 3 257.381 2.277 20 30 CEEDHN CC(C#N)C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000334961475 225376872 /nfs/dbraw/zinc/37/68/72/225376872.db2.gz HMFCOEYXAPABSL-JTQLQIEISA-N 0 3 294.301 2.494 20 30 CEEDHN COc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1F ZINC000347048535 226028664 /nfs/dbraw/zinc/02/86/64/226028664.db2.gz MGVQXOXAPJXCCQ-RKDXNWHRSA-N 0 3 250.273 2.171 20 30 CEEDHN C[C@H](C#N)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000347116727 226032801 /nfs/dbraw/zinc/03/28/01/226032801.db2.gz SIYJPZVBWNYVIN-CYBMUJFWSA-N 0 3 295.452 2.014 20 30 CEEDHN CCn1c2ccccc2nc1[C@@H](C)NC(=O)C(C)C#N ZINC000347128584 226036960 /nfs/dbraw/zinc/03/69/60/226036960.db2.gz GMYAYXJHXLEQRS-WDEREUQCSA-N 0 3 270.336 2.393 20 30 CEEDHN CCn1c2ccccc2nc1[C@@H](C)NC(=O)C(C)C#N ZINC000347128577 226037688 /nfs/dbraw/zinc/03/76/88/226037688.db2.gz GMYAYXJHXLEQRS-GHMZBOCLSA-N 0 3 270.336 2.393 20 30 CEEDHN CC(C#N)C(=O)NCc1c(F)cccc1OC(F)F ZINC000347189495 226056208 /nfs/dbraw/zinc/05/62/08/226056208.db2.gz NCZDAJHYBZQEEW-SSDOTTSWSA-N 0 3 272.226 2.203 20 30 CEEDHN COCc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354472312 227005559 /nfs/dbraw/zinc/00/55/59/227005559.db2.gz OSMPUFCPEOSBTH-ZDUSSCGKSA-N 0 3 267.288 2.113 20 30 CEEDHN Cc1cc(C)n(-c2ccccc2CNC(=O)C(C)C#N)n1 ZINC000350731521 227068846 /nfs/dbraw/zinc/06/88/46/227068846.db2.gz BBPJYBVVYWRPQQ-LLVKDONJSA-N 0 3 282.347 2.265 20 30 CEEDHN O=C(NC1CC[NH+](CC2CC2)CC1)c1csc(=O)[n-]1 ZINC000329915768 227984846 /nfs/dbraw/zinc/98/48/46/227984846.db2.gz PVNNZTXVYDOTKP-UHFFFAOYSA-N 0 3 281.381 2.028 20 30 CEEDHN C[C@H](CNC(=O)c1csc(=O)[nH]1)N1CCC(C)CC1 ZINC000329951664 227996167 /nfs/dbraw/zinc/99/61/67/227996167.db2.gz MYCOOEAYGBVTTG-SNVBAGLBSA-N 0 3 283.397 2.274 20 30 CEEDHN N#Cc1csc(CN2CCC[C@H]2CN2CCCC2)n1 ZINC000356081643 228113481 /nfs/dbraw/zinc/11/34/81/228113481.db2.gz FYAWVRVNVJCTRY-ZDUSSCGKSA-N 0 3 276.409 2.075 20 30 CEEDHN CCn1ncnc1CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000330101014 228039734 /nfs/dbraw/zinc/03/97/34/228039734.db2.gz HXFWBBCEJRQPSB-CYBMUJFWSA-N 0 3 291.399 2.162 20 30 CEEDHN Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+]CC1(C)CC1 ZINC000330198324 228063861 /nfs/dbraw/zinc/06/38/61/228063861.db2.gz TVWIJRCSLRZQIN-ZDUSSCGKSA-N 0 3 276.384 2.370 20 30 CEEDHN C=CC1CCN(C(=O)Nc2cnc3c(c2)CNCC3)CC1 ZINC000667795554 419806756 /nfs/dbraw/zinc/80/67/56/419806756.db2.gz GZUBBRXXWPXZBN-UHFFFAOYSA-N 0 3 286.379 2.157 20 30 CEEDHN CC#CCN(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000297798257 260133910 /nfs/dbraw/zinc/13/39/10/260133910.db2.gz DYWKBLJPWKWYEB-NVXWUHKLSA-N 0 3 299.418 2.314 20 30 CEEDHN C[C@H](C#N)CN(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000297956463 260138977 /nfs/dbraw/zinc/13/89/77/260138977.db2.gz WCKJMFXKWIVZKF-GDBMZVCRSA-N 0 3 257.381 2.352 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2NC)CC1 ZINC000298184238 260147393 /nfs/dbraw/zinc/14/73/93/260147393.db2.gz SWCQCKAEKVQVHJ-UHFFFAOYSA-N 0 3 287.407 2.499 20 30 CEEDHN C=CCOc1ccccc1CNCCc1cnn(C)c1 ZINC000069786597 260150971 /nfs/dbraw/zinc/15/09/71/260150971.db2.gz UQOYSXULGDRGJG-UHFFFAOYSA-N 0 3 271.364 2.317 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000119899736 260661907 /nfs/dbraw/zinc/66/19/07/260661907.db2.gz BLIBHDQLQGEDGS-LSDHHAIUSA-N 0 3 280.412 2.054 20 30 CEEDHN C=CCN1CCC(NC(=O)CC[C@@H]2CC[C@@H](C)O2)CC1 ZINC000173160714 261157801 /nfs/dbraw/zinc/15/78/01/261157801.db2.gz KKORKFAAMSBDBN-HIFRSBDPSA-N 0 3 280.412 2.101 20 30 CEEDHN C#C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C(C)C ZINC000490635466 261174294 /nfs/dbraw/zinc/17/42/94/261174294.db2.gz HJYIGODOJVQGPP-KGLIPLIRSA-N 0 3 250.386 2.025 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1c(C)cccc1C ZINC000490973403 261273307 /nfs/dbraw/zinc/27/33/07/261273307.db2.gz KQUBRICVVPLREW-ZIAGYGMSSA-N 0 3 258.365 2.092 20 30 CEEDHN C[C@@H]1CC[C@@H](C(N)=O)CN1CC#Cc1ccc(Cl)cc1 ZINC000177118710 261332918 /nfs/dbraw/zinc/33/29/18/261332918.db2.gz SATJPIULOZOLEZ-TZMCWYRMSA-N 0 3 290.794 2.277 20 30 CEEDHN COc1ccc([C@H](O)CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185770978 262069743 /nfs/dbraw/zinc/06/97/43/262069743.db2.gz DTUXBXDCFWEDEI-DUVNUKRYSA-N 0 3 274.364 2.401 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000497272641 262130037 /nfs/dbraw/zinc/13/00/37/262130037.db2.gz SGMFCFDCSTWJDR-WOPDTQHZSA-N 0 3 295.383 2.050 20 30 CEEDHN N#CCC1(CNCCC(=O)Nc2ccccc2)CC1 ZINC000521031199 262213641 /nfs/dbraw/zinc/21/36/41/262213641.db2.gz VACPKRPFHPLOJQ-UHFFFAOYSA-N 0 3 257.337 2.299 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NCCn2c3ccccc3[nH]c2=O)C1 ZINC000193015343 262214287 /nfs/dbraw/zinc/21/42/87/262214287.db2.gz LPGWOWOCMKIUIM-OLZOCXBDSA-N 0 3 284.363 2.002 20 30 CEEDHN O=C(/C=N/OCCN1CCCCC1)Nc1ccc(F)cc1 ZINC000194379553 262236820 /nfs/dbraw/zinc/23/68/20/262236820.db2.gz FOVOYRLGAKPZJM-SFQUDFHCSA-N 0 3 293.342 2.253 20 30 CEEDHN CC(C)(C#N)CCN1CC[C@H](Oc2ccncc2)C1 ZINC000119973576 262263410 /nfs/dbraw/zinc/26/34/10/262263410.db2.gz OVXGVPVPGOGIPB-AWEZNQCLSA-N 0 3 259.353 2.475 20 30 CEEDHN C#Cc1cccc(NC(=O)N(C)C[C@H]2CCCN(C)C2)c1 ZINC000118798740 262270288 /nfs/dbraw/zinc/27/02/88/262270288.db2.gz CYAUTYYACZMSKQ-HNNXBMFYSA-N 0 3 285.391 2.473 20 30 CEEDHN CC(C)(C#N)CCCCN1CCN(C[C@H]2CCOC2)CC1 ZINC000336845525 262399018 /nfs/dbraw/zinc/39/90/18/262399018.db2.gz XXOTZUVMCPAUTM-MRXNPFEDSA-N 0 3 293.455 2.361 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H](C)CC[S@@](C)=O ZINC000125466223 262599236 /nfs/dbraw/zinc/59/92/36/262599236.db2.gz FDWHFNNWOYYXOH-DJJJIMSYSA-N 0 3 281.421 2.498 20 30 CEEDHN C[C@H]1[C@@H](C(F)(F)F)CCN1CCOCCC#N ZINC000339141349 262603470 /nfs/dbraw/zinc/60/34/70/262603470.db2.gz SHSSYSIKWPWQOO-UWVGGRQHSA-N 0 3 250.264 2.189 20 30 CEEDHN OC[C@H](NCC#Cc1ccccc1Cl)[C@@H]1CCCOC1 ZINC000411988981 262712985 /nfs/dbraw/zinc/71/29/85/262712985.db2.gz HHMLAOTZMDUFFX-ZBFHGGJFSA-N 0 3 293.794 2.069 20 30 CEEDHN CN(CCN1C(=O)c2ccccc2C1=O)CCC(C)(C)C#N ZINC000272019522 263001498 /nfs/dbraw/zinc/00/14/98/263001498.db2.gz MNBPUHIRMCTKKM-UHFFFAOYSA-N 0 3 299.374 2.154 20 30 CEEDHN CC1(C#N)CCN(C[C@H](O)COCc2cccs2)CC1 ZINC000272475396 263005066 /nfs/dbraw/zinc/00/50/66/263005066.db2.gz AIYBSZWJWBJIQE-ZDUSSCGKSA-N 0 3 294.420 2.251 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000279720037 263056954 /nfs/dbraw/zinc/05/69/54/263056954.db2.gz MHWPENIAOAJMHE-IAQYHMDHSA-N 0 3 267.332 2.155 20 30 CEEDHN CC1(C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280314735 263060147 /nfs/dbraw/zinc/06/01/47/263060147.db2.gz IFBDEMFKRIYYLA-HNNXBMFYSA-N 0 3 281.359 2.499 20 30 CEEDHN C[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000280522279 263062504 /nfs/dbraw/zinc/06/25/04/263062504.db2.gz RWYUHRROAPDWIP-DVOMOZLQSA-N 0 3 281.359 2.355 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC=C(F)C2)cc1 ZINC000281498750 263069445 /nfs/dbraw/zinc/06/94/45/263069445.db2.gz IAHLQETYRLLKPD-AWEZNQCLSA-N 0 3 283.306 2.326 20 30 CEEDHN CCc1ccc([C@@H](O)CNC(=N)Nc2ccccn2)cc1 ZINC000285168972 263091015 /nfs/dbraw/zinc/09/10/15/263091015.db2.gz TVFDQVJMDQUWJA-AWEZNQCLSA-N 0 3 284.363 2.104 20 30 CEEDHN N#CCSCCCN1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340206813 263093124 /nfs/dbraw/zinc/09/31/24/263093124.db2.gz VWGSPWGOMHXAGA-GHMZBOCLSA-N 0 3 296.358 2.411 20 30 CEEDHN C=CCN(C)CCN(CC)C[C@H](O)Cc1ccccc1 ZINC000340210161 263094483 /nfs/dbraw/zinc/09/44/83/263094483.db2.gz NIQXRVQZAIKEGG-QGZVFWFLSA-N 0 3 276.424 2.030 20 30 CEEDHN N#CC1CCN(C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287235561 263101326 /nfs/dbraw/zinc/10/13/26/263101326.db2.gz JRZHVDNHGZPBDL-HNNXBMFYSA-N 0 3 278.783 2.479 20 30 CEEDHN CCOC(=O)CC1(CNC(=O)C(C)C#N)CCCCC1 ZINC000340335424 263116067 /nfs/dbraw/zinc/11/60/67/263116067.db2.gz FDOWPGCYVOYKBX-GFCCVEGCSA-N 0 3 280.368 2.166 20 30 CEEDHN CC#CCN(C)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000293121351 263138177 /nfs/dbraw/zinc/13/81/77/263138177.db2.gz MHQMBRLJKRPZHG-GOSISDBHSA-N 0 3 286.419 2.233 20 30 CEEDHN C#CCN(C)CCCNC(=O)C=C1CCC(C)CC1 ZINC000293921299 263152461 /nfs/dbraw/zinc/15/24/61/263152461.db2.gz GZNNZOMKVBKORH-UHFFFAOYSA-N 0 3 262.397 2.194 20 30 CEEDHN C[C@H](NCCOCCC#N)c1ccc(-n2cccn2)cc1 ZINC000294447693 263162006 /nfs/dbraw/zinc/16/20/06/263162006.db2.gz FSINAKBEHZDVQB-AWEZNQCLSA-N 0 3 284.363 2.453 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000298065356 263214840 /nfs/dbraw/zinc/21/48/40/263214840.db2.gz GRSVVMXANHDXLR-GDBMZVCRSA-N 0 3 258.365 2.315 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(c2cnn(C)c2)CC1 ZINC000340886078 263310990 /nfs/dbraw/zinc/31/09/90/263310990.db2.gz DQDJNQQHMFBLRK-CQSZACIVSA-N 0 3 262.401 2.287 20 30 CEEDHN CCC(CC)[C@@H](NCC(=O)NCC#N)c1cccs1 ZINC000341588738 263343944 /nfs/dbraw/zinc/34/39/44/263343944.db2.gz FEKWONHKKGCKBW-CQSZACIVSA-N 0 3 279.409 2.455 20 30 CEEDHN C=CC[C@@H](CO)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341880576 263362473 /nfs/dbraw/zinc/36/24/73/263362473.db2.gz QBHMEGYRXIISIB-VXGBXAGGSA-N 0 3 264.325 2.430 20 30 CEEDHN C=CC[C@@H](CO)CN[C@@H](C)c1nc2ccccc2n1C ZINC000341891101 263363973 /nfs/dbraw/zinc/36/39/73/263363973.db2.gz UZYQHFWUVGVBDN-QWHCGFSZSA-N 0 3 273.380 2.409 20 30 CEEDHN CCCN(CCN1CCCC1)C(=O)CC(C)(C)C#N ZINC000342289397 263413681 /nfs/dbraw/zinc/41/36/81/263413681.db2.gz POOGFRZBYMOOLE-UHFFFAOYSA-N 0 3 265.401 2.261 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)C1(C#N)CCCC1 ZINC000330674344 264013551 /nfs/dbraw/zinc/01/35/51/264013551.db2.gz QHKMTQSXQANIRG-ZDUSSCGKSA-N 0 3 263.385 2.061 20 30 CEEDHN Cc1cnc(C(=O)NCCN2CCCC(C)(C)C2)cn1 ZINC000331009989 264107148 /nfs/dbraw/zinc/10/71/48/264107148.db2.gz ZAVFLLLIHJCJHX-UHFFFAOYSA-N 0 3 276.384 2.212 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)c2ccnc(C#N)c2)C1 ZINC000331042805 264108063 /nfs/dbraw/zinc/10/80/63/264108063.db2.gz FJZLCIRCZMOYKA-UHFFFAOYSA-N 0 3 286.379 2.380 20 30 CEEDHN C=CCn1cc(CNC[C@H]2C[C@H]2c2ccccc2)nn1 ZINC000425351543 264122625 /nfs/dbraw/zinc/12/26/25/264122625.db2.gz JAOSPEXTWBUBMB-ZBFHGGJFSA-N 0 3 268.364 2.357 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H](O)C2CCCCC2)CC1 ZINC000331222962 264167235 /nfs/dbraw/zinc/16/72/35/264167235.db2.gz CCODNDYATBPKKY-MRXNPFEDSA-N 0 3 294.439 2.084 20 30 CEEDHN Cc1ccc(C(=O)NC[C@@H]2CCCCN2CCO)c(C)c1 ZINC000331295569 264197830 /nfs/dbraw/zinc/19/78/30/264197830.db2.gz CNODFQFRJXULOD-HNNXBMFYSA-N 0 3 290.407 2.455 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@H](c2ccccc2)C1 ZINC000250214902 264255997 /nfs/dbraw/zinc/25/59/97/264255997.db2.gz SEEDHGGUOMNVBA-UKRRQHHQSA-N 0 3 258.365 2.167 20 30 CEEDHN C=C[C@H](C)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000128239832 264289084 /nfs/dbraw/zinc/28/90/84/264289084.db2.gz CNABWGFKAYJFDR-SLTAFYQDSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCNC(=O)CN[C@H](CC)c1ccc(N(C)C)cc1 ZINC000180033953 264389928 /nfs/dbraw/zinc/38/99/28/264389928.db2.gz NGZDEWYHIFLKKV-OAHLLOKOSA-N 0 3 275.396 2.096 20 30 CEEDHN CN(C)[C@H](CC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000424962875 264398812 /nfs/dbraw/zinc/39/88/12/264398812.db2.gz BGGJEJMFASDMSP-NUEKZKHPSA-N 0 3 285.391 2.488 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(C(=O)OC)co1 ZINC000280590972 264455181 /nfs/dbraw/zinc/45/51/81/264455181.db2.gz BIOBRMDANMGRMS-FZMZJTMJSA-N 0 3 279.336 2.137 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@H]1CCC[C@@H]1SCC ZINC000286168917 264577059 /nfs/dbraw/zinc/57/70/59/264577059.db2.gz OLQPSVPPAFOHGD-KBPBESRZSA-N 0 3 282.453 2.451 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCCCCC2)CC1 ZINC000334674509 265070769 /nfs/dbraw/zinc/07/07/69/265070769.db2.gz YRQRWAFMURHZOL-UHFFFAOYSA-N 0 3 265.401 2.222 20 30 CEEDHN CCC1(CC)CCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000347049803 265123521 /nfs/dbraw/zinc/12/35/21/265123521.db2.gz IXXMJIJZDRUUJI-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN CCN1CCC(N(C)C(=O)c2cccc(CC#N)c2)CC1 ZINC000357311391 266273991 /nfs/dbraw/zinc/27/39/91/266273991.db2.gz YBMZIKORZTWGPC-UHFFFAOYSA-N 0 3 285.391 2.309 20 30 CEEDHN COC(=O)C[C@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000357601794 266333405 /nfs/dbraw/zinc/33/34/05/266333405.db2.gz RWTVRRNLICUPAS-CABZTGNLSA-N 0 3 294.738 2.220 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CCC1 ZINC000357791561 266363029 /nfs/dbraw/zinc/36/30/29/266363029.db2.gz NYUFMKQTGQHKOC-GXTWGEPZSA-N 0 3 262.397 2.332 20 30 CEEDHN CC(C#N)C(=O)NCCCCOc1ccc(F)cc1 ZINC000357806085 266367557 /nfs/dbraw/zinc/36/75/57/266367557.db2.gz SPADITBNQBGUOH-LLVKDONJSA-N 0 3 264.300 2.261 20 30 CEEDHN CC(C#N)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000357816141 266371573 /nfs/dbraw/zinc/37/15/73/266371573.db2.gz AHZGXXMPVWTFCQ-GFCCVEGCSA-N 0 3 289.354 2.066 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCC2(C)CC2)CC1 ZINC000357864492 266378664 /nfs/dbraw/zinc/37/86/64/266378664.db2.gz SKEQZPSQPOEYIP-UHFFFAOYSA-N 0 3 265.401 2.126 20 30 CEEDHN CC[C@@H](NC(=O)C(C#N)CCc1ccccc1)C(C)(C)O ZINC000358647435 266486758 /nfs/dbraw/zinc/48/67/58/266486758.db2.gz HOAWTVQDSHFXIR-LSDHHAIUSA-N 0 3 288.391 2.425 20 30 CEEDHN CCC[C@@H](O)CN(C)CCOCc1ccc(C#N)cc1 ZINC000451039867 267033902 /nfs/dbraw/zinc/03/39/02/267033902.db2.gz INFWBXBJKUQIEV-MRXNPFEDSA-N 0 3 276.380 2.168 20 30 CEEDHN CCCCCCCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363125735 267075294 /nfs/dbraw/zinc/07/52/94/267075294.db2.gz VAMJMNDILAMECB-CABCVRRESA-N 0 3 282.428 2.326 20 30 CEEDHN C#CC[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000367885127 267125076 /nfs/dbraw/zinc/12/50/76/267125076.db2.gz JZJAOSVPVSHNAT-ZOBUZTSGSA-N 0 3 299.418 2.360 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000368368070 267166402 /nfs/dbraw/zinc/16/64/02/267166402.db2.gz YSMFQMDOPKJGHL-FVQBIDKESA-N 0 3 293.432 2.369 20 30 CEEDHN CC[C@@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)N(C)C ZINC000425120569 267183615 /nfs/dbraw/zinc/18/36/15/267183615.db2.gz AWAIVDMHTDRFDV-DOMZBBRYSA-N 0 3 273.380 2.418 20 30 CEEDHN CC[C@@H](N[C@@H](CC)C(=O)NC)c1ccc(C#N)cc1 ZINC000453396768 267195983 /nfs/dbraw/zinc/19/59/83/267195983.db2.gz HPLBOABFDWMJIZ-KGLIPLIRSA-N 0 3 259.353 2.124 20 30 CEEDHN CC[C@H](CC#N)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000368666066 267196584 /nfs/dbraw/zinc/19/65/84/267196584.db2.gz JWVVJLFKJCPZFO-BXUZGUMPSA-N 0 3 269.364 2.007 20 30 CEEDHN CC#CCCCC(=O)N1CCCC12CCN(C)CC2 ZINC000368771200 267203216 /nfs/dbraw/zinc/20/32/16/267203216.db2.gz WNNTVDGCENUNBI-UHFFFAOYSA-N 0 3 262.397 2.267 20 30 CEEDHN C#CCNC(=O)N(CC=C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368924813 267213989 /nfs/dbraw/zinc/21/39/89/267213989.db2.gz NMVUDZKMKHFVLA-KRWDZBQOSA-N 0 3 297.402 2.092 20 30 CEEDHN CC[C@H](O)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000422116972 267224735 /nfs/dbraw/zinc/22/47/35/267224735.db2.gz FMGLHBNVVDEDOI-NSHDSACASA-N 0 3 272.270 2.438 20 30 CEEDHN CC[C@H]1CN(CC)CCN1CCOc1ccccc1C#N ZINC000451734980 267230739 /nfs/dbraw/zinc/23/07/39/267230739.db2.gz XPZACQOKBCBDSV-INIZCTEOSA-N 0 3 287.407 2.353 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1C[C@H]2CCCCCC[C@@H]21 ZINC000369452855 267242619 /nfs/dbraw/zinc/24/26/19/267242619.db2.gz RBOBYJLVTLAQEZ-MJBXVCDLSA-N 0 3 250.386 2.332 20 30 CEEDHN CN(C)Cc1cccc(CNC(=O)c2ccc(C#N)o2)c1 ZINC000428121832 267284241 /nfs/dbraw/zinc/28/42/41/267284241.db2.gz PRKFXFCOQVMWRD-UHFFFAOYSA-N 0 3 283.331 2.143 20 30 CEEDHN CN(C)[C@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000455426682 267290772 /nfs/dbraw/zinc/29/07/72/267290772.db2.gz ZUJCNKNRHQQHGT-INIZCTEOSA-N 0 3 299.418 2.289 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000493062445 267308195 /nfs/dbraw/zinc/30/81/95/267308195.db2.gz ZPPLUIQQEPHUHQ-ZBTGYSDGSA-N 0 3 283.375 2.124 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000421709057 267309597 /nfs/dbraw/zinc/30/95/97/267309597.db2.gz CGIMXMSSFKBFDY-IXDOHACOSA-N 0 3 297.402 2.214 20 30 CEEDHN C=CCC[C@@H](O)CN1CC[C@H](Oc2ccccc2)C1 ZINC000370494965 267324145 /nfs/dbraw/zinc/32/41/45/267324145.db2.gz NIYAZJGCKZTTJK-ZBFHGGJFSA-N 0 3 261.365 2.467 20 30 CEEDHN C#CCOCCC(=O)Nc1cccc2c1CCN(CC)C2 ZINC000371063088 267349514 /nfs/dbraw/zinc/34/95/14/267349514.db2.gz MZYXGFYVBFCIAY-UHFFFAOYSA-N 0 3 286.375 2.043 20 30 CEEDHN C=CCN1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000377169084 268052419 /nfs/dbraw/zinc/05/24/19/268052419.db2.gz TXWKLBQLYYVDEO-ZDUSSCGKSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@@H](n3cncn3)C2)c1 ZINC000377278407 268062861 /nfs/dbraw/zinc/06/28/61/268062861.db2.gz PMTZZMGTSRTHTG-OAHLLOKOSA-N 0 3 284.363 2.290 20 30 CEEDHN N#Cc1ccc(CN2CCN(CC[C@H]3CCOC3)CC2)cc1 ZINC000437588603 268220434 /nfs/dbraw/zinc/22/04/34/268220434.db2.gz JNWBPOBDTBWHCO-SFHVURJKSA-N 0 3 299.418 2.102 20 30 CEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC12CC2 ZINC000421474691 270629504 /nfs/dbraw/zinc/62/95/04/270629504.db2.gz QHUCDRNAHCINGB-MRXNPFEDSA-N 0 3 297.402 2.249 20 30 CEEDHN CC[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)N(C)C ZINC000425120571 271125093 /nfs/dbraw/zinc/12/50/93/271125093.db2.gz AWAIVDMHTDRFDV-IUODEOHRSA-N 0 3 273.380 2.418 20 30 CEEDHN C[C@H]1C[C@H](Nc2c(C#N)cccc2[N+](=O)[O-])CCN1C ZINC000425236586 271143720 /nfs/dbraw/zinc/14/37/20/271143720.db2.gz QKTJZJVKSMPMAE-CMPLNLGQSA-N 0 3 274.324 2.361 20 30 CEEDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1cccc(C#N)c1 ZINC000278602901 274345178 /nfs/dbraw/zinc/34/51/78/274345178.db2.gz IRCBWSNGPFOABC-OAHLLOKOSA-N 0 3 299.418 2.243 20 30 CEEDHN Cc1nnc(N2CC[C@@H](N3CCCCC3)C2)c(C#N)c1C ZINC000110259023 274870494 /nfs/dbraw/zinc/87/04/94/274870494.db2.gz YJCNRGZXOVVXQA-CQSZACIVSA-N 0 3 285.395 2.030 20 30 CEEDHN C=C(CC)CNC(=O)N1CCCC12CCN(C)CC2 ZINC000335581454 275740906 /nfs/dbraw/zinc/74/09/06/275740906.db2.gz WRDSDZVLSLQEIE-UHFFFAOYSA-N 0 3 265.401 2.222 20 30 CEEDHN CC(C)(CO)[C@@H](NCc1ccccc1C#N)C1CC1 ZINC000291011863 275861597 /nfs/dbraw/zinc/86/15/97/275861597.db2.gz WXBMWUOMKXGNSJ-HNNXBMFYSA-N 0 3 258.365 2.445 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@](C)(O)CC1 ZINC000329895482 276155276 /nfs/dbraw/zinc/15/52/76/276155276.db2.gz BWBBNFSTVNLUFP-ZBFHGGJFSA-N 0 3 297.443 2.012 20 30 CEEDHN CCN1CCN(Cc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000286611565 276196877 /nfs/dbraw/zinc/19/68/77/276196877.db2.gz RPLJPAFETFBLBX-GFCCVEGCSA-N 0 3 261.344 2.223 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)CC2(C)C)CC1 ZINC000336067363 276894508 /nfs/dbraw/zinc/89/45/08/276894508.db2.gz PWEKWWIYRXMIIG-ZDUSSCGKSA-N 0 3 279.428 2.467 20 30 CEEDHN CN1CC[C@@]2(CCN(c3nc(Cl)c(C#N)s3)C2)C1 ZINC000292166668 277161209 /nfs/dbraw/zinc/16/12/09/277161209.db2.gz DLEHWYXOFTUTMQ-GFCCVEGCSA-N 0 3 282.800 2.200 20 30 CEEDHN CC(C)(C)OC(=O)NCCNCc1ccc(C#N)cc1 ZINC000134527203 277199041 /nfs/dbraw/zinc/19/90/41/277199041.db2.gz HGSCURQKQNTGLX-UHFFFAOYSA-N 0 3 275.352 2.173 20 30 CEEDHN CNC(=O)[C@H]1CCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000348187748 277252346 /nfs/dbraw/zinc/25/23/46/277252346.db2.gz SSSVXBBGAXRMOX-LSDHHAIUSA-N 0 3 290.794 2.196 20 30 CEEDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1 ZINC000291755342 278115774 /nfs/dbraw/zinc/11/57/74/278115774.db2.gz QRIVPPCWNZBRTH-HUUCEWRRSA-N 0 3 292.404 2.004 20 30 CEEDHN C[C@H](CN1CCOCC1)N[C@H](C)c1ccc(C#N)cc1F ZINC000358571136 278194247 /nfs/dbraw/zinc/19/42/47/278194247.db2.gz ODXGLLHBHBWHGA-CHWSQXEVSA-N 0 3 291.370 2.069 20 30 CEEDHN CCN1CCC(NC(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000333153234 279261822 /nfs/dbraw/zinc/26/18/22/279261822.db2.gz HBGRJCDLKKPGSA-MRXNPFEDSA-N 0 3 275.396 2.061 20 30 CEEDHN CN(C(=O)[C@]1(C#N)CC12CCCC2)C1CCN(C)CC1 ZINC000336232507 281867236 /nfs/dbraw/zinc/86/72/36/281867236.db2.gz KHGXYJGOGIBJHK-MRXNPFEDSA-N 0 3 275.396 2.013 20 30 CEEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1cccc(F)c1 ZINC000153299106 289109976 /nfs/dbraw/zinc/10/99/76/289109976.db2.gz UGNRNLVURKXMRT-UHFFFAOYSA-N 0 3 287.342 2.067 20 30 CEEDHN CN(C)CCN(C(=O)c1ccc(C#N)[nH]1)C1CCCCC1 ZINC000269851462 289124931 /nfs/dbraw/zinc/12/49/31/289124931.db2.gz IXPISMZWFNAIOO-UHFFFAOYSA-N 0 3 288.395 2.223 20 30 CEEDHN CC(C)C[C@@H](C)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000155053032 289163185 /nfs/dbraw/zinc/16/31/85/289163185.db2.gz VWMYJDUYSSHOEP-BXUZGUMPSA-N 0 3 259.353 2.109 20 30 CEEDHN C[C@H](N[C@@H]1CSC[C@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000507209673 297535991 /nfs/dbraw/zinc/53/59/91/297535991.db2.gz IXHVQCAOHDBNKX-UHIISALHSA-N 0 3 289.404 2.226 20 30 CEEDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000537582676 298213164 /nfs/dbraw/zinc/21/31/64/298213164.db2.gz LOUOHOPVWVELOP-CYBMUJFWSA-N 0 3 291.782 2.378 20 30 CEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Cc1cccc(C#N)c1 ZINC000538692407 298233701 /nfs/dbraw/zinc/23/37/01/298233701.db2.gz FKWAJQIQNRXGEN-CQSZACIVSA-N 0 3 299.418 2.289 20 30 CEEDHN C[C@H](C1CC1)N(C([O-])=[NH+][C@H]1CCc2nc[nH]c2C1)C1CC1 ZINC000329637700 298246140 /nfs/dbraw/zinc/24/61/40/298246140.db2.gz VTAGSQXDDCOMRR-PWSUYJOCSA-N 0 3 288.395 2.444 20 30 CEEDHN C[C@H](C1CC1)N(C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1)C1CC1 ZINC000329637700 298246143 /nfs/dbraw/zinc/24/61/43/298246143.db2.gz VTAGSQXDDCOMRR-PWSUYJOCSA-N 0 3 288.395 2.444 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@H](CO)C3CCCCC3)n2c1 ZINC000551557879 298458111 /nfs/dbraw/zinc/45/81/11/298458111.db2.gz AXJQCXDLQNHYIH-MRXNPFEDSA-N 0 3 298.390 2.237 20 30 CEEDHN C[C@H]1CN(C(=O)C2(C#N)CCCC2)CCN(C2CC2)C1 ZINC000334545126 300107813 /nfs/dbraw/zinc/10/78/13/300107813.db2.gz YYLMWWHTWBJBDN-CYBMUJFWSA-N 0 3 275.396 2.013 20 30 CEEDHN CC1(C)CCCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000332051364 528929518 /nfs/dbraw/zinc/92/95/18/528929518.db2.gz WCSRFJTVDLVXTP-GFCCVEGCSA-N 0 3 251.374 2.046 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H](O)C(F)(F)F ZINC000577900384 314426047 /nfs/dbraw/zinc/42/60/47/314426047.db2.gz RLAQBASVTLZLGT-CHWSQXEVSA-N 0 3 284.281 2.448 20 30 CEEDHN C=CCN(C(=O)[C@@H](CN)c1ccc(F)cc1)C1CC1 ZINC000563202309 327962584 /nfs/dbraw/zinc/96/25/84/327962584.db2.gz VKMBBQCNKBGQNQ-AWEZNQCLSA-N 0 3 262.328 2.045 20 30 CEEDHN C=CCCCCCNC(=O)[C@]1(N)C[C@@H](OCC)C1(C)C ZINC000570984267 327968750 /nfs/dbraw/zinc/96/87/50/327968750.db2.gz XTEMPLHWNLUYGS-CZUORRHYSA-N 0 3 282.428 2.382 20 30 CEEDHN N#CCC[C@H](C#N)CNC[C@@H](CO)CC1CCCC1 ZINC000571166277 328090162 /nfs/dbraw/zinc/09/01/62/328090162.db2.gz WUDAVKMXCHZJIK-CABCVRRESA-N 0 3 263.385 2.208 20 30 CEEDHN C[C@H](NC(=O)c1cccc(CC#N)c1)C1=CCN(C)CC1 ZINC000272996434 328202552 /nfs/dbraw/zinc/20/25/52/328202552.db2.gz QSIYUZOQQMVLIH-ZDUSSCGKSA-N 0 3 283.375 2.133 20 30 CEEDHN CN1CC[C@@]2(CCN(C(=O)Nc3ccc(CC#N)cc3)C2)C1 ZINC000292587494 328272309 /nfs/dbraw/zinc/27/23/09/328272309.db2.gz IRKLEXWAXNBQNJ-QGZVFWFLSA-N 0 3 298.390 2.312 20 30 CEEDHN CCN1CCCN(C(=O)Nc2scc(C)c2C#N)CC1 ZINC000580462178 322319646 /nfs/dbraw/zinc/31/96/46/322319646.db2.gz SFXYWOYMNPSESZ-UHFFFAOYSA-N 0 3 292.408 2.488 20 30 CEEDHN CC(C)C[C@@H]1C[C@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000580552067 322325797 /nfs/dbraw/zinc/32/57/97/322325797.db2.gz NJEAAMAZNULRQQ-TZMCWYRMSA-N 0 3 269.352 2.125 20 30 CEEDHN C#C[C@@H](NC(=O)NCc1cccc(CN(C)C)c1)C(C)C ZINC000282280355 328508113 /nfs/dbraw/zinc/50/81/13/328508113.db2.gz QHVVDZAHUQNVOW-MRXNPFEDSA-N 0 3 287.407 2.205 20 30 CEEDHN C=C(C)CN1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344422102 328557706 /nfs/dbraw/zinc/55/77/06/328557706.db2.gz BPWCOBGDYKEGFP-UHFFFAOYSA-N 0 3 276.340 2.442 20 30 CEEDHN C=CCOc1ccccc1CNC[C@H](O)CSC ZINC000584346482 328598536 /nfs/dbraw/zinc/59/85/36/328598536.db2.gz LWQJMCXFBBLLFJ-ZDUSSCGKSA-N 0 3 267.394 2.065 20 30 CEEDHN N#C[C@H]1CC[C@@H](N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000407993972 326917506 /nfs/dbraw/zinc/91/75/06/326917506.db2.gz XEDKKNZHWIXWRP-WCQYABFASA-N 0 3 289.339 2.120 20 30 CEEDHN C=CCC[C@H](NC[C@](C)(O)COC)c1ccco1 ZINC000556881197 326977595 /nfs/dbraw/zinc/97/75/95/326977595.db2.gz HRLLYBRHAUXMDB-JSGCOSHPSA-N 0 3 253.342 2.274 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC2(C)C)CC1 ZINC000358197265 327236588 /nfs/dbraw/zinc/23/65/88/327236588.db2.gz WTMKFJQPRGXEEM-CYBMUJFWSA-N 0 3 265.401 2.125 20 30 CEEDHN C[C@@H]1CCN(CCNC(=O)[C@@H](C#N)CCc2ccccc2)C1 ZINC000560177716 327288675 /nfs/dbraw/zinc/28/86/75/327288675.db2.gz SHEICIZQWNYHFG-NVXWUHKLSA-N 0 3 299.418 2.217 20 30 CEEDHN C#C[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000289537530 327530066 /nfs/dbraw/zinc/53/00/66/327530066.db2.gz QGZWZKPIHBFLRE-GFCCVEGCSA-N 0 3 262.309 2.351 20 30 CEEDHN CC(C)[C@H](O)C(C)(C)CNC[C@H](C#N)CCC#N ZINC000582421104 328985853 /nfs/dbraw/zinc/98/58/53/328985853.db2.gz WWRNKONJJCIJAR-STQMWFEESA-N 0 3 251.374 2.063 20 30 CEEDHN C#Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc[n-]3)C2)cc1 ZINC000377628293 329021669 /nfs/dbraw/zinc/02/16/69/329021669.db2.gz QZIXHJRDZZXYTQ-HNNXBMFYSA-N 0 3 266.348 2.166 20 30 CEEDHN C#Cc1ccc(C[N@H+]2CCC[C@H](c3nnc[n-]3)C2)cc1 ZINC000377628293 329021670 /nfs/dbraw/zinc/02/16/70/329021670.db2.gz QZIXHJRDZZXYTQ-HNNXBMFYSA-N 0 3 266.348 2.166 20 30 CEEDHN C#CCN[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000377674696 329023970 /nfs/dbraw/zinc/02/39/70/329023970.db2.gz NXUAHHINIIJPTB-UONOGXRCSA-N 0 3 266.747 2.447 20 30 CEEDHN C#CCOc1ccc(CN[C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000378322062 329046091 /nfs/dbraw/zinc/04/60/91/329046091.db2.gz CIPXASUKHBLMOE-SJORKVTESA-N 0 3 271.360 2.356 20 30 CEEDHN C#CCCCCC(=O)N1CCCN(CCC)CC1 ZINC000378396184 329048815 /nfs/dbraw/zinc/04/88/15/329048815.db2.gz CTQYNRGJNOAUAV-UHFFFAOYSA-N 0 3 250.386 2.124 20 30 CEEDHN C=CCC[C@H](O)CN1CCC(C)(c2nc(C)no2)CC1 ZINC000378586032 329055322 /nfs/dbraw/zinc/05/53/22/329055322.db2.gz XVVIFJVUOAAGGS-ZDUSSCGKSA-N 0 3 279.384 2.059 20 30 CEEDHN C=CCN1CCC(NC(=O)NC2(CC)CCC2)CC1 ZINC000176056432 329173574 /nfs/dbraw/zinc/17/35/74/329173574.db2.gz TWOPQHNQKFZHGZ-UHFFFAOYSA-N 0 3 265.401 2.269 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H](C)C1(C)CC1 ZINC000177214529 329181919 /nfs/dbraw/zinc/18/19/19/329181919.db2.gz MHNAMIRGWMRODR-SWLSCSKDSA-N 0 3 265.401 2.161 20 30 CEEDHN C#CCOc1ccc(CN2CCCN(C3CC3)CC2)cc1 ZINC000179731385 329208228 /nfs/dbraw/zinc/20/82/28/329208228.db2.gz VYOKOKAVYOOOIE-UHFFFAOYSA-N 0 3 284.403 2.369 20 30 CEEDHN CCOC(=O)N1CCCN(CC(C)(C)CCC#N)CC1 ZINC000179750125 329211952 /nfs/dbraw/zinc/21/19/52/329211952.db2.gz WGMDSDMLKYJALE-UHFFFAOYSA-N 0 3 281.400 2.481 20 30 CEEDHN C=CCC[C@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000321059134 329246020 /nfs/dbraw/zinc/24/60/20/329246020.db2.gz XXAZHFNMHUTRJY-GFCCVEGCSA-N 0 3 250.298 2.012 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000185351669 329270915 /nfs/dbraw/zinc/27/09/15/329270915.db2.gz DAHJXWUDAGKTPA-GJZGRUSLSA-N 0 3 282.428 2.158 20 30 CEEDHN C#C[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000185361842 329271194 /nfs/dbraw/zinc/27/11/94/329271194.db2.gz VNIPYAWKKLZANK-HIFRSBDPSA-N 0 3 288.366 2.176 20 30 CEEDHN CC(C)N1CC[C@H](N2CCC(CCC#N)CC2)C1=O ZINC000583142371 329321410 /nfs/dbraw/zinc/32/14/10/329321410.db2.gz RLPCXPOJUUZZMO-AWEZNQCLSA-N 0 3 263.385 2.011 20 30 CEEDHN C=CCC1(C(=O)NC[C@](C)(O)CCN(C)C)CCCCC1 ZINC000420001758 329751968 /nfs/dbraw/zinc/75/19/68/329751968.db2.gz RRNIRBZFEWPDNJ-MRXNPFEDSA-N 0 3 296.455 2.332 20 30 CEEDHN C#CCCOc1ccc(CN[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000268822832 330066623 /nfs/dbraw/zinc/06/66/23/330066623.db2.gz XZIHAUFUOHDJEO-JKSUJKDBSA-N 0 3 271.360 2.115 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)Nc1ccccc1CNC ZINC000424059629 330218613 /nfs/dbraw/zinc/21/86/13/330218613.db2.gz OKOBMIINCPGBIJ-HIFRSBDPSA-N 0 3 274.364 2.326 20 30 CEEDHN CC(C)(NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424086204 330223488 /nfs/dbraw/zinc/22/34/88/330223488.db2.gz QEEDTAONBWNRJB-ZDUSSCGKSA-N 0 3 259.353 2.059 20 30 CEEDHN COc1ccc(F)cc1[C@@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424091814 330225440 /nfs/dbraw/zinc/22/54/40/330225440.db2.gz FLMKFIVUXXAZFC-MFKMUULPSA-N 0 3 293.342 2.033 20 30 CEEDHN CCS[C@H]1CC[C@H](N(C)CC(=O)NC2(C#N)CCC2)C1 ZINC000527135534 330225658 /nfs/dbraw/zinc/22/56/58/330225658.db2.gz IVLXCVQXGMSECL-STQMWFEESA-N 0 3 295.452 2.155 20 30 CEEDHN Cc1ccccc1C[C@@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424092751 330225934 /nfs/dbraw/zinc/22/59/34/330225934.db2.gz PQVSXLJCRLVPJK-HIFRSBDPSA-N 0 3 273.380 2.063 20 30 CEEDHN CC(C)CCN(C(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000424101289 330233384 /nfs/dbraw/zinc/23/33/84/330233384.db2.gz YJWQMILEYKQLMM-ZDUSSCGKSA-N 0 3 251.374 2.045 20 30 CEEDHN CCn1ncc2ccc(NC(=O)[C@@H](N)CCCC#N)cc21 ZINC000424104221 330233824 /nfs/dbraw/zinc/23/38/24/330233824.db2.gz GPGGQNROSMHISD-ZDUSSCGKSA-N 0 3 285.351 2.016 20 30 CEEDHN CN(C)c1c(Cl)cccc1NC(=O)[C@H](N)CCCC#N ZINC000424125934 330259025 /nfs/dbraw/zinc/25/90/25/330259025.db2.gz AXMKCJCAJAGTKU-LLVKDONJSA-N 0 3 294.786 2.366 20 30 CEEDHN CC(C)(CNC(=O)[C@H](N)CCCC#N)c1cccs1 ZINC000424126000 330259100 /nfs/dbraw/zinc/25/91/00/330259100.db2.gz OKCZFNTVGQLKDY-LLVKDONJSA-N 0 3 279.409 2.163 20 30 CEEDHN Cc1cnc([C@@H](NC(=O)[C@@H](N)CCCC#N)C2CC2)s1 ZINC000424136762 330272506 /nfs/dbraw/zinc/27/25/06/330272506.db2.gz BFATYRULYAWLTQ-RYUDHWBXSA-N 0 3 292.408 2.040 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000527768127 330281791 /nfs/dbraw/zinc/28/17/91/330281791.db2.gz FXYDWZVIVPXQOZ-QLFBSQMISA-N 0 3 291.439 2.372 20 30 CEEDHN C=CCN1CCC(Nc2nccnc2O[C@H](C)CC)CC1 ZINC000527878227 330291463 /nfs/dbraw/zinc/29/14/63/330291463.db2.gz CYKJITYUARDYEQ-CYBMUJFWSA-N 0 3 290.411 2.138 20 30 CEEDHN CCC1(CC)CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424145895 330291553 /nfs/dbraw/zinc/29/15/53/330291553.db2.gz VRAXPXBPPVVZMN-LBPRGKRZSA-N 0 3 251.374 2.046 20 30 CEEDHN CCS[C@H]1CCCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424146754 330293293 /nfs/dbraw/zinc/29/32/93/330293293.db2.gz XEJHEPCAULFWQS-QWHCGFSZSA-N 0 3 283.441 2.142 20 30 CEEDHN Cc1cccnc1[C@H](NC(=O)[C@@H](N)CCCC#N)C(C)C ZINC000424150935 330297083 /nfs/dbraw/zinc/29/70/83/330297083.db2.gz ZYOBKYCZDVUWOY-UONOGXRCSA-N 0 3 288.395 2.225 20 30 CEEDHN Cn1cc2ccc(CN[C@H]3CC[C@@H](C#N)C3)cc2n1 ZINC000527963972 330300873 /nfs/dbraw/zinc/30/08/73/330300873.db2.gz SLNGQBGXCOZMIY-RISCZKNCSA-N 0 3 254.337 2.355 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H](N)CCCC#N ZINC000424194651 330324406 /nfs/dbraw/zinc/32/44/06/330324406.db2.gz SDIYHEITSSXARD-AGIUHOORSA-N 0 3 251.374 2.045 20 30 CEEDHN CCC(O)(CC)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433372798 330346613 /nfs/dbraw/zinc/34/66/13/330346613.db2.gz INKVBYPXSZPJNR-OAHLLOKOSA-N 0 3 288.391 2.426 20 30 CEEDHN CCN(CCC#N)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424443182 330352064 /nfs/dbraw/zinc/35/20/64/330352064.db2.gz ZRWKWRMXDUZVJS-UHFFFAOYSA-N 0 3 260.341 2.221 20 30 CEEDHN C=CCOc1cccc(CN2CCC(CO)(OC)CC2)c1 ZINC000447095767 330861299 /nfs/dbraw/zinc/86/12/99/330861299.db2.gz ZITAVNHBEDGLFP-UHFFFAOYSA-N 0 3 291.391 2.225 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1CCN(C)C ZINC000451001300 331011337 /nfs/dbraw/zinc/01/13/37/331011337.db2.gz JPALNIIFUQHZJR-ZBFHGGJFSA-N 0 3 288.391 2.320 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H]1CCC12CCCC2 ZINC000451468160 331030643 /nfs/dbraw/zinc/03/06/43/331030643.db2.gz KDEBTTAVEAEILF-DZGCQCFKSA-N 0 3 277.412 2.353 20 30 CEEDHN CC[C@@H]1CC[C@H](C)N(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000451968127 331048773 /nfs/dbraw/zinc/04/87/73/331048773.db2.gz OQDFBHDSQKZOMU-WOSRLPQWSA-N 0 3 277.412 2.305 20 30 CEEDHN N#CCCCCN(CCN1CCOCC1)Cc1ccco1 ZINC000452044467 331051862 /nfs/dbraw/zinc/05/18/62/331051862.db2.gz DMILUGXNIAENPM-UHFFFAOYSA-N 0 3 291.395 2.108 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452864454 331079645 /nfs/dbraw/zinc/07/96/45/331079645.db2.gz WKCFCVQUJNXGPU-YPMHNXCESA-N 0 3 287.319 2.460 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC2(SC)CCC2)CC1 ZINC000194956393 331082228 /nfs/dbraw/zinc/08/22/28/331082228.db2.gz CBWZRJUIWKRTIS-UHFFFAOYSA-N 0 3 297.468 2.222 20 30 CEEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(OC)ncc1F ZINC000453358437 331121971 /nfs/dbraw/zinc/12/19/71/331121971.db2.gz ODLPSXXLSQEVML-WDEREUQCSA-N 0 3 268.332 2.207 20 30 CEEDHN C=CCOc1ccc(CN[C@@H]2CCC[C@H]2O)cc1OC ZINC000453615104 331136628 /nfs/dbraw/zinc/13/66/28/331136628.db2.gz NXFUAYBLCLZPBM-ZIAGYGMSSA-N 0 3 277.364 2.263 20 30 CEEDHN CCCCN(C)CCNC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000454633654 331150169 /nfs/dbraw/zinc/15/01/69/331150169.db2.gz RVZDAOVSRVHTGD-KBPBESRZSA-N 0 3 280.416 2.100 20 30 CEEDHN C=C(CC)CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000455522159 331171881 /nfs/dbraw/zinc/17/18/81/331171881.db2.gz MAIMNNIKKJGTAB-AWEZNQCLSA-N 0 3 265.401 2.222 20 30 CEEDHN C[C@H](CNC(=O)NCC(C)(C)CC#N)N1CCCC[C@@H]1C ZINC000457699332 331231590 /nfs/dbraw/zinc/23/15/90/331231590.db2.gz GRDISRLRYNPJPL-UONOGXRCSA-N 0 3 294.443 2.488 20 30 CEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCC(C)(C)CC#N ZINC000457928467 331237816 /nfs/dbraw/zinc/23/78/16/331237816.db2.gz JGECFUJYWOXLRA-KBPBESRZSA-N 0 3 294.443 2.346 20 30 CEEDHN C[C@H](C(=O)NCC(C)(C)CC#N)N1[C@H](C)CC[C@@H]1C ZINC000457990470 331239275 /nfs/dbraw/zinc/23/92/75/331239275.db2.gz PKLQYAMKPZFPFG-FRRDWIJNSA-N 0 3 265.401 2.304 20 30 CEEDHN C=CCSCCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458074021 331242263 /nfs/dbraw/zinc/24/22/63/331242263.db2.gz FJZLTPXTENFJJD-HNNXBMFYSA-N 0 3 297.468 2.033 20 30 CEEDHN CC1CCN(CCNC(=O)NCC(C)(C)CCC#N)CC1 ZINC000479373514 331725909 /nfs/dbraw/zinc/72/59/09/331725909.db2.gz AWYGYIHEUYKVOD-UHFFFAOYSA-N 0 3 294.443 2.347 20 30 CEEDHN C=C[C@H]1CCCCN1CC(O)CN1CCCC[C@@H]1C=C ZINC000489499650 332056976 /nfs/dbraw/zinc/05/69/76/332056976.db2.gz SQRPKTNJZIZFIY-HOTGVXAUSA-N 0 3 278.440 2.428 20 30 CEEDHN C#CCN1CCC(C(=O)NCC2CCCCC2)CC1 ZINC000490555908 332091681 /nfs/dbraw/zinc/09/16/81/332091681.db2.gz MXTRLEJXRTUVGW-UHFFFAOYSA-N 0 3 262.397 2.028 20 30 CEEDHN C#C[C@@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C(C)C ZINC000490637803 332098843 /nfs/dbraw/zinc/09/88/43/332098843.db2.gz SVSAPQGRSZNXBA-CABCVRRESA-N 0 3 262.397 2.167 20 30 CEEDHN C#C[C@H](NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)C(C)C ZINC000490638547 332099041 /nfs/dbraw/zinc/09/90/41/332099041.db2.gz 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YKIFKVFHRQYRCD-GDBMZVCRSA-N 0 3 287.407 2.350 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(F)c(F)c1 ZINC000491705351 332298568 /nfs/dbraw/zinc/29/85/68/332298568.db2.gz VGMJSWWNXHIGCH-UHFFFAOYSA-N 0 3 281.306 2.041 20 30 CEEDHN C#CCN(C[C@H](O)COc1ccccc1SC)C(C)C ZINC000491727133 332310448 /nfs/dbraw/zinc/31/04/48/332310448.db2.gz LBURRVCHXIUBSN-AWEZNQCLSA-N 0 3 293.432 2.492 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC2(C1)CCCCC2 ZINC000491740011 332319115 /nfs/dbraw/zinc/31/91/15/332319115.db2.gz QMFWVEZVOJIEGQ-UHFFFAOYSA-N 0 3 291.439 2.307 20 30 CEEDHN C#CC(C)(C)N(C)C[C@H]1CN(c2ccccc2)CCO1 ZINC000491752079 332328175 /nfs/dbraw/zinc/32/81/75/332328175.db2.gz VOQTZHDIHCHPHI-INIZCTEOSA-N 0 3 272.392 2.235 20 30 CEEDHN C#C[C@H](NCCC(=O)Nc1ccc(N(C)C)cc1)C(C)C ZINC000491778888 332343900 /nfs/dbraw/zinc/34/39/00/332343900.db2.gz YVVZWPPZVOUWRW-INIZCTEOSA-N 0 3 287.407 2.329 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1coc(C2CCCC2)n1 ZINC000491817366 332367991 /nfs/dbraw/zinc/36/79/91/332367991.db2.gz 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AKDULGQHPGUCTA-LBPRGKRZSA-N 0 3 250.342 2.334 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC[C@@H](C#N)CCC#N ZINC000572870503 334886172 /nfs/dbraw/zinc/88/61/72/334886172.db2.gz RMHRCRWGYKSRMK-RBSFLKMASA-N 0 3 262.401 2.282 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000176586498 335307604 /nfs/dbraw/zinc/30/76/04/335307604.db2.gz QJZFIOHPODIIEJ-OKILXGFUSA-N 0 3 277.412 2.078 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CC12CC2 ZINC000581484638 336087309 /nfs/dbraw/zinc/08/73/09/336087309.db2.gz VYVJNISWVLLDGZ-KGLIPLIRSA-N 0 3 254.333 2.428 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCCCC[C@@H]1C[C@@H](C)O ZINC000385064724 336136642 /nfs/dbraw/zinc/13/66/42/336136642.db2.gz BWHQDTYISXMGMV-HZPDHXFCSA-N 0 3 296.455 2.427 20 30 CEEDHN C=CC(C)(C)CNCc1c(Br)cnn1C ZINC000385168472 336141195 /nfs/dbraw/zinc/14/11/95/336141195.db2.gz MAHLDIUJLFOSCJ-UHFFFAOYSA-N 0 3 272.190 2.484 20 30 CEEDHN CC[C@H](O)[C@H](CC)NCc1ccc(C#N)c(OC)c1 ZINC000313174015 536009140 /nfs/dbraw/zinc/00/91/40/536009140.db2.gz YLPSIBNDJGWNBW-KBPBESRZSA-N 0 3 262.353 2.206 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(C)s1 ZINC000049183700 518923808 /nfs/dbraw/zinc/92/38/08/518923808.db2.gz DQKIOPCSUXTCAQ-MNOVXSKESA-N 0 3 252.383 2.398 20 30 CEEDHN C=CC[C@@H](CO)NCc1cn(-c2ccccc2)nc1C ZINC000184285658 519104175 /nfs/dbraw/zinc/10/41/75/519104175.db2.gz IVICOULTZBHJJT-HNNXBMFYSA-N 0 3 271.364 2.207 20 30 CEEDHN CCCN(C)CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000359347057 521473753 /nfs/dbraw/zinc/47/37/53/521473753.db2.gz SMGHOVCDZJLUTH-UHFFFAOYSA-N 0 3 285.391 2.391 20 30 CEEDHN N#CC1(NC(=O)CN(CC2CC2)CC2CCC2)CCC1 ZINC000347190355 534570022 /nfs/dbraw/zinc/57/00/22/534570022.db2.gz CWIZZPNLUWRPDK-UHFFFAOYSA-N 0 3 275.396 2.061 20 30 CEEDHN COC[C@@H](C)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000364688792 522250945 /nfs/dbraw/zinc/25/09/45/522250945.db2.gz BVOJXFUHAVUAEF-GFCCVEGCSA-N 0 3 284.363 2.083 20 30 CEEDHN Cc1cccc(C)c1OCCCNC(=O)C(C)C#N ZINC000347032091 534680000 /nfs/dbraw/zinc/68/00/00/534680000.db2.gz FVCYUHHCECQGIG-ZDUSSCGKSA-N 0 3 260.337 2.348 20 30 CEEDHN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)C(C)C#N ZINC000336603258 534691328 /nfs/dbraw/zinc/69/13/28/534691328.db2.gz YUJRBSMOXSJOLI-OCCSQVGLSA-N 0 3 296.374 2.495 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@@]2(CCOC2)C1 ZINC000156824651 523525806 /nfs/dbraw/zinc/52/58/06/523525806.db2.gz MBZUYXZOGWQGST-MRXNPFEDSA-N 0 3 272.348 2.179 20 30 CEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2sccc2C#N)C1 ZINC000157139798 523993160 /nfs/dbraw/zinc/99/31/60/523993160.db2.gz YWYWKHLPCJUDIQ-OLZOCXBDSA-N 0 3 289.404 2.176 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)[C@@H](N)CC(F)F ZINC000345715563 526355837 /nfs/dbraw/zinc/35/58/37/526355837.db2.gz QDGHRYOQWZWQGZ-LBPRGKRZSA-N 0 3 268.307 2.184 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CC[C@@H](C)C2)CC1 ZINC000353724699 526435417 /nfs/dbraw/zinc/43/54/17/526435417.db2.gz QDRRRSKWAMCNOQ-KGLIPLIRSA-N 0 3 279.428 2.372 20 30 CEEDHN N#CCCCN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000055028488 526446310 /nfs/dbraw/zinc/44/63/10/526446310.db2.gz SEARSYHHCUVUEL-UHFFFAOYSA-N 0 3 292.427 2.386 20 30 CEEDHN C=C(C)CN(C)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000352131287 526487496 /nfs/dbraw/zinc/48/74/96/526487496.db2.gz AYDZVQDDTUHJSJ-OKILXGFUSA-N 0 3 267.417 2.467 20 30 CEEDHN C=C(C)CN(CCC[C@@H](C)O)Cc1ccc(CO)o1 ZINC000352799254 526550385 /nfs/dbraw/zinc/55/03/85/526550385.db2.gz LXUSWZCOUIBMJW-CYBMUJFWSA-N 0 3 267.369 2.311 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C)C2)CC1 ZINC000336618888 526586709 /nfs/dbraw/zinc/58/67/09/526586709.db2.gz RZMBDAVPSPOBCR-ZDUSSCGKSA-N 0 3 265.401 2.078 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCN(C3CCCC3)C2)o1 ZINC000363416274 526627261 /nfs/dbraw/zinc/62/72/61/526627261.db2.gz ZQLAYHGIWKEYMS-LBPRGKRZSA-N 0 3 259.353 2.258 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000347718508 526708264 /nfs/dbraw/zinc/70/82/64/526708264.db2.gz KVXGBINCYBLSTP-GJZGRUSLSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000347718517 526708558 /nfs/dbraw/zinc/70/85/58/526708558.db2.gz KVXGBINCYBLSTP-LSDHHAIUSA-N 0 3 294.439 2.300 20 30 CEEDHN N#Cc1cccc(Cl)c1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000364862583 526713544 /nfs/dbraw/zinc/71/35/44/526713544.db2.gz HWCHIKBHIVOKEB-STQMWFEESA-N 0 3 291.782 2.487 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344616651 526788110 /nfs/dbraw/zinc/78/81/10/526788110.db2.gz NNKZBRSNHYCCFE-KFWWJZLASA-N 0 3 294.439 2.204 20 30 CEEDHN C=C(CNC(=O)N1CCN[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000334928322 526867239 /nfs/dbraw/zinc/86/72/39/526867239.db2.gz IOJDLXGYEBQRGT-KBPBESRZSA-N 0 3 273.380 2.092 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CCCN(CC)CC1 ZINC000366997524 527147359 /nfs/dbraw/zinc/14/73/59/527147359.db2.gz NJTICTVROYYFCN-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCCOCCCCC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000352591297 527333644 /nfs/dbraw/zinc/33/36/44/527333644.db2.gz RJFAYIFKAGUPOI-JKSUJKDBSA-N 0 3 294.439 2.302 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344708825 527530721 /nfs/dbraw/zinc/53/07/21/527530721.db2.gz YDKGGOSLAXFUTN-YOEHRIQHSA-N 0 3 296.455 2.452 20 30 CEEDHN CCN(CCC#N)C(=O)CN(CC)[C@H]1CCOC(C)(C)C1 ZINC000351918449 528353469 /nfs/dbraw/zinc/35/34/69/528353469.db2.gz IBQFIJKQTITECF-AWEZNQCLSA-N 0 3 295.427 2.028 20 30 CEEDHN CC[C@H](C)Oc1cc(CNC(=O)C(C)C#N)ccn1 ZINC000347884953 529190846 /nfs/dbraw/zinc/19/08/46/529190846.db2.gz BKLYNMZTVUSTFU-QWRGUYRKSA-N 0 3 261.325 2.035 20 30 CEEDHN C[C@H]1CC(N=Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000741452004 574594208 /nfs/dbraw/zinc/59/42/08/574594208.db2.gz TVZJLGOETLHLLM-JTQLQIEISA-N 0 3 262.313 2.477 20 30 CEEDHN C=CCNC(=S)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000731941838 574606732 /nfs/dbraw/zinc/60/67/32/574606732.db2.gz BFUQNFFKJVPVQC-CYBMUJFWSA-N 0 3 277.437 2.157 20 30 CEEDHN C=CC1CC[NH+](CCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735408980 574757419 /nfs/dbraw/zinc/75/74/19/574757419.db2.gz AMJXCYXGXGPFCA-UHFFFAOYSA-N 0 3 299.378 2.144 20 30 CEEDHN C=CC1CC[NH+](CCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735408980 574757420 /nfs/dbraw/zinc/75/74/20/574757420.db2.gz AMJXCYXGXGPFCA-UHFFFAOYSA-N 0 3 299.378 2.144 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000736671763 574794345 /nfs/dbraw/zinc/79/43/45/574794345.db2.gz GKFDCYZOJQXECA-VXGBXAGGSA-N 0 3 295.383 2.052 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000736672594 574794367 /nfs/dbraw/zinc/79/43/67/574794367.db2.gz MJISBPUOGBNODR-LDYMZIIASA-N 0 3 286.253 2.015 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000757111136 574825568 /nfs/dbraw/zinc/82/55/68/574825568.db2.gz QHEUDSSLBSTUCX-OLZOCXBDSA-N 0 3 266.385 2.245 20 30 CEEDHN N#CC(C(=O)C[C@H]1CCOC1)c1nc2ccccc2[nH]1 ZINC000740528878 574958024 /nfs/dbraw/zinc/95/80/24/574958024.db2.gz ZWGZUARCYSOTSV-GHMZBOCLSA-N 0 3 269.304 2.166 20 30 CEEDHN C[C@@H]1CC(N=Nc2nc(-c3ccncc3)no2)CCN1C ZINC000741463555 574987726 /nfs/dbraw/zinc/98/77/26/574987726.db2.gz GTKXEYISLRXEAM-SNVBAGLBSA-N 0 3 286.339 2.014 20 30 CEEDHN C#CCCCNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000742788481 575033899 /nfs/dbraw/zinc/03/38/99/575033899.db2.gz PCOZEUCQTNBXLI-CQSZACIVSA-N 0 3 250.386 2.027 20 30 CEEDHN COc1cccc(NC(=O)C(C#N)C(=O)C=CC2CC2)c1 ZINC000744027504 575112316 /nfs/dbraw/zinc/11/23/16/575112316.db2.gz WTEMSYQUBXAXMY-WBTMPAOCSA-N 0 3 284.315 2.309 20 30 CEEDHN N#Cc1ccc(CNCCCNc2ncccn2)s1 ZINC000751506276 575290656 /nfs/dbraw/zinc/29/06/56/575290656.db2.gz MNGDHTALIZBEOV-UHFFFAOYSA-N 0 3 273.365 2.002 20 30 CEEDHN C#C[C@H](CC)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000753124149 575320120 /nfs/dbraw/zinc/32/01/20/575320120.db2.gz AJJITLKKYQHUAJ-GDBMZVCRSA-N 0 3 287.407 2.218 20 30 CEEDHN C#C[C@H](CC)NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000753258821 575323181 /nfs/dbraw/zinc/32/31/81/575323181.db2.gz LUOHLYOGWIPGRX-DJIMGWMZSA-N 0 3 299.418 2.360 20 30 CEEDHN N#CC(C(=O)NCc1ccccc1)C(=O)C1CC(F)(F)C1 ZINC000753802166 575342934 /nfs/dbraw/zinc/34/29/34/575342934.db2.gz OAYALXBLRWNXST-LBPRGKRZSA-N 0 3 292.285 2.057 20 30 CEEDHN C#CCOc1cccc(NC(=O)CC2CCN(C)CC2)c1 ZINC000753818846 575344270 /nfs/dbraw/zinc/34/42/70/575344270.db2.gz VHEYHIYUXHPYII-UHFFFAOYSA-N 0 3 286.375 2.369 20 30 CEEDHN C=CC[N@@H+](Cc1ccc(OC)c(-c2nnn[n-]2)c1)C(C)C ZINC000823909696 607485588 /nfs/dbraw/zinc/48/55/88/607485588.db2.gz NKHXHNOZRVETQP-UHFFFAOYSA-N 0 3 287.367 2.272 20 30 CEEDHN C=CC[N@H+](Cc1ccc(OC)c(-c2nnn[n-]2)c1)C(C)C ZINC000823909696 607485590 /nfs/dbraw/zinc/48/55/90/607485590.db2.gz NKHXHNOZRVETQP-UHFFFAOYSA-N 0 3 287.367 2.272 20 30 CEEDHN C=CC[N@@H+](Cc1ccc(OC)c(-c2nn[n-]n2)c1)C(C)C ZINC000823909696 607485592 /nfs/dbraw/zinc/48/55/92/607485592.db2.gz NKHXHNOZRVETQP-UHFFFAOYSA-N 0 3 287.367 2.272 20 30 CEEDHN C=CC[N@H+](Cc1ccc(OC)c(-c2nn[n-]n2)c1)C(C)C ZINC000823909696 607485594 /nfs/dbraw/zinc/48/55/94/607485594.db2.gz NKHXHNOZRVETQP-UHFFFAOYSA-N 0 3 287.367 2.272 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C[C@@H]2C=CCC2)C(C)(C)C1 ZINC000972797602 613031423 /nfs/dbraw/zinc/03/14/23/613031423.db2.gz VMRKZWVIORNYQO-HUUCEWRRSA-N 0 3 274.408 2.193 20 30 CEEDHN C=C[C@@H](C)[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823882746 608517700 /nfs/dbraw/zinc/51/77/00/608517700.db2.gz CVHYMPKJCZIYKT-YGRLFVJLSA-N 0 3 269.352 2.408 20 30 CEEDHN C=C[C@@H](C)[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823882746 608517701 /nfs/dbraw/zinc/51/77/01/608517701.db2.gz CVHYMPKJCZIYKT-YGRLFVJLSA-N 0 3 269.352 2.408 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000968705068 612961192 /nfs/dbraw/zinc/96/11/92/612961192.db2.gz FDHAQZNLJQTVLC-BBWFWOEESA-N 0 3 282.387 2.004 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C(F)F)cc2F)C1 ZINC000970340939 612965383 /nfs/dbraw/zinc/96/53/83/612965383.db2.gz HUFNWPZLANPZPZ-LLVKDONJSA-N 0 3 296.292 2.201 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000970556352 612965771 /nfs/dbraw/zinc/96/57/71/612965771.db2.gz QDMMRZYKDQLWNH-LLVKDONJSA-N 0 3 297.185 2.431 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccccc2CCC)C1 ZINC000969279019 612966450 /nfs/dbraw/zinc/96/64/50/612966450.db2.gz QSLFKTTZTWIBHK-OAHLLOKOSA-N 0 3 270.376 2.076 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(C=C)cc2)C1 ZINC000970472616 612997441 /nfs/dbraw/zinc/99/74/41/612997441.db2.gz FMNMPUGXTSOSKJ-AWEZNQCLSA-N 0 3 282.387 2.403 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(CC)n2)C1 ZINC000966784465 613015520 /nfs/dbraw/zinc/01/55/20/613015520.db2.gz JPNCPUJJNOIRFW-RHSMWYFYSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968579940 613015644 /nfs/dbraw/zinc/01/56/44/613015644.db2.gz QVGMDKLPAZTJMO-NVXWUHKLSA-N 0 3 284.403 2.459 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC000968274662 613024828 /nfs/dbraw/zinc/02/48/28/613024828.db2.gz MIXBAIFRCNARDS-WCQYABFASA-N 0 3 293.798 2.132 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C2CCC(F)CC2)C(C)(C)C1 ZINC000975011626 613031277 /nfs/dbraw/zinc/03/12/77/613031277.db2.gz KTYHGCBKHIAYBN-YMAMQOFZSA-N 0 3 294.414 2.365 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)Cc2cccs2)C(C)(C)C1 ZINC000972760811 613031647 /nfs/dbraw/zinc/03/16/47/613031647.db2.gz MPPKYWQTSDJVSO-CQSZACIVSA-N 0 3 290.432 2.141 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2(C)CC=CC2)C(C)(C)C1 ZINC000975015845 613036746 /nfs/dbraw/zinc/03/67/46/613036746.db2.gz ZOVOSQLVUWXXOV-AWEZNQCLSA-N 0 3 274.408 2.193 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C)c(C)n2)C(C)(C)C1 ZINC000974829887 613038335 /nfs/dbraw/zinc/03/83/35/613038335.db2.gz SMHOQKRZSPUGEU-INIZCTEOSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cccn2CC=C)C(C)(C)C1 ZINC000974686987 613038824 /nfs/dbraw/zinc/03/88/24/613038824.db2.gz CCBYDKFBYSZCSO-INIZCTEOSA-N 0 3 299.418 2.138 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccncc2CC)CC1 ZINC000948570572 613163111 /nfs/dbraw/zinc/16/31/11/613163111.db2.gz MANSQSQIOSNYMF-MRXNPFEDSA-N 0 3 299.418 2.204 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2[nH]ccc2C2CC2)CC1 ZINC000948433021 613179133 /nfs/dbraw/zinc/17/91/33/613179133.db2.gz NWGUQSANLBNZJM-HNNXBMFYSA-N 0 3 299.418 2.452 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccoc2Cl)CC1 ZINC000948329217 613179497 /nfs/dbraw/zinc/17/94/97/613179497.db2.gz AQXQTQMYBFJCIY-LBPRGKRZSA-N 0 3 294.782 2.493 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2csc(C)n2)CC1 ZINC000948716973 613179529 /nfs/dbraw/zinc/17/95/29/613179529.db2.gz JARKILZBVYIRHF-ZDUSSCGKSA-N 0 3 291.420 2.011 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000946980224 613235533 /nfs/dbraw/zinc/23/55/33/613235533.db2.gz MHPBFEUCNHWELB-SWLSCSKDSA-N 0 3 274.339 2.042 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(F)c2C)[C@H](C)C1 ZINC000942063094 613237176 /nfs/dbraw/zinc/23/71/76/613237176.db2.gz CFVIZQHTVFMNJN-MLGOLLRUSA-N 0 3 288.366 2.208 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CCCN([C@@H](C)COC)CC1 ZINC000981740941 613240733 /nfs/dbraw/zinc/24/07/33/613240733.db2.gz KGMHSXUZUDCNMH-AWEZNQCLSA-N 0 3 282.428 2.158 20 30 CEEDHN C=C(C)CCN1CCCN(C(=O)c2cc(C)no2)CC1 ZINC000980699283 613254916 /nfs/dbraw/zinc/25/49/16/613254916.db2.gz 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/nfs/dbraw/zinc/00/13/81/624001381.db2.gz XZEFSWHQDBZCJQ-JSGCOSHPSA-N 0 3 280.393 2.103 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001022565607 624240678 /nfs/dbraw/zinc/24/06/78/624240678.db2.gz JOKWBKAQMXGLDT-GRYCIOLGSA-N 0 3 270.804 2.412 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001022569701 624248222 /nfs/dbraw/zinc/24/82/22/624248222.db2.gz IEWFSBZYIRZDQD-PHIMTYICSA-N 0 3 268.744 2.191 20 30 CEEDHN N#Cc1ccccc1COC(=O)C1CCCN(C2CC2)C1=O ZINC000924059049 624327191 /nfs/dbraw/zinc/32/71/91/624327191.db2.gz KHDWUJBXQRYHTN-HNNXBMFYSA-N 0 3 298.342 2.002 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001022631518 624337824 /nfs/dbraw/zinc/33/78/24/624337824.db2.gz GXDOSNHJUHEDHF-GUTXKFCHSA-N 0 3 290.794 2.316 20 30 CEEDHN C#C[C@H]1CCCCN1C[C@H]1CCC2(CCOCC2)CO1 ZINC000934518357 624556641 /nfs/dbraw/zinc/55/66/41/624556641.db2.gz GWIZEKIFFBOCDC-JKSUJKDBSA-N 0 3 277.408 2.450 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)C)C1 ZINC001022908767 624737084 /nfs/dbraw/zinc/73/70/84/624737084.db2.gz AXQSROSSAZLVSH-QNWHQSFQSA-N 0 3 270.804 2.268 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2coc(C)c2)C1 ZINC001023332178 624990870 /nfs/dbraw/zinc/99/08/70/624990870.db2.gz GHAFJTQMZOKKOF-CQSZACIVSA-N 0 3 274.364 2.053 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(CC)ccn2)C1 ZINC001023386229 625000357 /nfs/dbraw/zinc/00/03/57/625000357.db2.gz CHAVDGZXLXSIFV-MRXNPFEDSA-N 0 3 299.418 2.109 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2c(C)oc(C)c2C)C1 ZINC001023476831 625020150 /nfs/dbraw/zinc/02/01/50/625020150.db2.gz XFXFNFXACZUVSG-OAHLLOKOSA-N 0 3 288.391 2.280 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(CC)s2)C1 ZINC001023473965 625021582 /nfs/dbraw/zinc/02/15/82/625021582.db2.gz XWWJPOQQLHFWSY-ZDUSSCGKSA-N 0 3 290.432 2.386 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001023720039 625133776 /nfs/dbraw/zinc/13/37/76/625133776.db2.gz LLZXRURYYMBJKD-MRXNPFEDSA-N 0 3 284.403 2.460 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(C)cc2C)C1 ZINC001023731022 625153483 /nfs/dbraw/zinc/15/34/83/625153483.db2.gz MBSMGFDYLUEBHE-MRXNPFEDSA-N 0 3 284.403 2.378 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc3c2CCC3)C1 ZINC001023773122 625208911 /nfs/dbraw/zinc/20/89/11/625208911.db2.gz LYAPZOKIARHRDK-OAHLLOKOSA-N 0 3 296.414 2.250 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1CC(=C)C ZINC001024662051 625742948 /nfs/dbraw/zinc/74/29/48/625742948.db2.gz RLAMQTFYAIOESS-XHSDSOJGSA-N 0 3 292.423 2.124 20 30 CEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C2CCC2)C1 ZINC001025318802 627629808 /nfs/dbraw/zinc/62/98/08/627629808.db2.gz BXLDSQJNGADYBK-ZFWWWQNUSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2C)C1 ZINC001025327295 627635523 /nfs/dbraw/zinc/63/55/23/627635523.db2.gz VZQNZEKRUMIPGW-JKSUJKDBSA-N 0 3 284.403 2.459 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CC(F)(F)C2)C1 ZINC001025376038 627664387 /nfs/dbraw/zinc/66/43/87/627664387.db2.gz 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/nfs/dbraw/zinc/73/10/86/627731086.db2.gz JYKGSXXBKPJRSL-CABCVRRESA-N 0 3 288.391 2.442 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccnc2C)C1 ZINC001025525428 627733575 /nfs/dbraw/zinc/73/35/75/627733575.db2.gz ODPUGZMHXQHVJS-GOEBONIOSA-N 0 3 299.418 2.244 20 30 CEEDHN C=CCCOCCCCC(=O)N[C@]1(C)CN2CCC1CC2 ZINC000892775512 627764393 /nfs/dbraw/zinc/76/43/93/627764393.db2.gz BDUSHCLFWPIGNF-QGZVFWFLSA-N 0 3 294.439 2.350 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC001019692324 627880745 /nfs/dbraw/zinc/88/07/45/627880745.db2.gz TUJMOBFWGDKYAA-NSHDSACASA-N 0 3 296.292 2.143 20 30 CEEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)COC(C)=O)c1 ZINC000892973691 627910000 /nfs/dbraw/zinc/91/00/00/627910000.db2.gz VLALWMSFRREJHR-WFASDCNBSA-N 0 3 290.363 2.409 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(CC)c(CC)c2)C1 ZINC001019912752 627923620 /nfs/dbraw/zinc/92/36/20/627923620.db2.gz PWUZKZBDZSRWGL-KRWDZBQOSA-N 0 3 284.403 2.249 20 30 CEEDHN N#Cc1cccc([C@@H]2CN(c3ccncc3CO)CCO2)c1 ZINC000893029909 627954960 /nfs/dbraw/zinc/95/49/60/627954960.db2.gz IROZOPWCPZDLII-KRWDZBQOSA-N 0 3 295.342 2.023 20 30 CEEDHN C=CC[C@H](CO)CNc1ccnc2ccc(OC)cc21 ZINC000893097122 627999904 /nfs/dbraw/zinc/99/99/04/627999904.db2.gz ZCMKSCRCKMXWAD-LBPRGKRZSA-N 0 3 272.348 2.262 20 30 CEEDHN Fc1cccnc1N1CC[C@@H](NCC#Cc2ccccc2)C1 ZINC000893158458 628046371 /nfs/dbraw/zinc/04/63/71/628046371.db2.gz FQQNAACGCPUSEP-MRXNPFEDSA-N 0 3 295.361 2.441 20 30 CEEDHN COCC[C@@H]1COCCN1CC1CCC(C#N)CC1 ZINC000930537062 628071264 /nfs/dbraw/zinc/07/12/64/628071264.db2.gz ZDLLRTGWXFHIIC-YMAMQOFZSA-N 0 3 266.385 2.054 20 30 CEEDHN COCC[C@H]1COCCN1CC1CCC(C#N)CC1 ZINC000930537059 628071448 /nfs/dbraw/zinc/07/14/48/628071448.db2.gz ZDLLRTGWXFHIIC-NRXISQOPSA-N 0 3 266.385 2.054 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCn1cccn1 ZINC000122974424 628233611 /nfs/dbraw/zinc/23/36/11/628233611.db2.gz JUXLZIZRZDERHF-GFCCVEGCSA-N 0 3 293.330 2.036 20 30 CEEDHN C=C1CCC(C(=O)N(C)[C@H]2CCN(C3CC3)C2)CC1 ZINC000888922677 628266928 /nfs/dbraw/zinc/26/69/28/628266928.db2.gz GEFKUSCIABEBKU-HNNXBMFYSA-N 0 3 262.397 2.428 20 30 CEEDHN C#CCN1CCC(C(=O)NCc2cscc2Cl)CC1 ZINC000894172424 629188046 /nfs/dbraw/zinc/18/80/46/629188046.db2.gz QVIHZDXAHUTWRB-UHFFFAOYSA-N 0 3 296.823 2.363 20 30 CEEDHN CC(C)(C(=O)N1CCC[C@@H](C#N)C1)N1CCCCC1 ZINC000928231784 629339087 /nfs/dbraw/zinc/33/90/87/629339087.db2.gz MWSDSSJBZDCIDL-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN C#Cc1ccc(CN[C@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000894667723 629580472 /nfs/dbraw/zinc/58/04/72/629580472.db2.gz KMKYOUAFRHSCID-HOTGVXAUSA-N 0 3 289.350 2.391 20 30 CEEDHN COc1ccc([C@@H](CO)CNCC#Cc2ccccc2)cc1 ZINC000894860887 629698741 /nfs/dbraw/zinc/69/87/41/629698741.db2.gz JZBMEKRSFHRZNS-GOSISDBHSA-N 0 3 295.382 2.412 20 30 CEEDHN CC[C@H]1CCC[C@H](CN2CCN(C(=O)CC#N)CC2)C1 ZINC000895066161 629842048 /nfs/dbraw/zinc/84/20/48/629842048.db2.gz ONHYWANMGKWOHS-GJZGRUSLSA-N 0 3 277.412 2.261 20 30 CEEDHN C#CCCCCNCc1ncc(CN(C)C)s1 ZINC000796324852 629848494 /nfs/dbraw/zinc/84/84/94/629848494.db2.gz RPNTZFVPMGDPLO-UHFFFAOYSA-N 0 3 251.399 2.098 20 30 CEEDHN C#CCNC(=O)CN1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000796433543 629902473 /nfs/dbraw/zinc/90/24/73/629902473.db2.gz FYMRAZQWICATMF-ZBFHGGJFSA-N 0 3 270.376 2.209 20 30 CEEDHN Cc1cc(C#N)ccc1CNC(C)(C)C(=O)N1CCCC1 ZINC000796578311 629936302 /nfs/dbraw/zinc/93/63/02/629936302.db2.gz UTSWXDRVYBFIHM-UHFFFAOYSA-N 0 3 285.391 2.357 20 30 CEEDHN C=CCCCCC[C@@H](C)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895157615 629973526 /nfs/dbraw/zinc/97/35/26/629973526.db2.gz CZJCCVZXJOBXFH-OLZOCXBDSA-N 0 3 254.374 2.481 20 30 CEEDHN O=C1[C@H]([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CCCN1[O-] ZINC000895157605 629973624 /nfs/dbraw/zinc/97/36/24/629973624.db2.gz CTNZYZYOIVWPPM-NWANDNLSSA-N 0 3 289.379 2.078 20 30 CEEDHN C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895159367 629976321 /nfs/dbraw/zinc/97/63/21/629976321.db2.gz FSDRKAPXSSQWGF-BDAKNGLRSA-N 0 3 268.279 2.077 20 30 CEEDHN CCC[C@H]([NH2+][C@@H]1CCCN([O-])C1=O)C1CCCC1 ZINC000895159442 629976731 /nfs/dbraw/zinc/97/67/31/629976731.db2.gz VVLSDFOERJXTAX-QWHCGFSZSA-N 0 3 254.374 2.315 20 30 CEEDHN Cc1cccc(CC[C@@H](C)[NH2+][C@H]2CCCN([O-])C2=O)c1 ZINC000895160840 629977949 /nfs/dbraw/zinc/97/79/49/629977949.db2.gz PIRVUHGVAGEOAR-HIFRSBDPSA-N 0 3 276.380 2.286 20 30 CEEDHN O=C1[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CCCN1[O-] ZINC000895159797 629977990 /nfs/dbraw/zinc/97/79/90/629977990.db2.gz IFNBWERXZBFFKS-SOUVJXGZSA-N 0 3 274.364 2.293 20 30 CEEDHN C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@@H]2CCCN([O-])C2=O)C1 ZINC000895160679 629978091 /nfs/dbraw/zinc/97/80/91/629978091.db2.gz OKLNTGFAOMTXJN-INMHGKMJSA-N 0 3 288.391 2.467 20 30 CEEDHN C#C[C@@H]1CCCN(Cc2cccc3[nH]c(=O)oc32)C1 ZINC000895201778 630030729 /nfs/dbraw/zinc/03/07/29/630030729.db2.gz FYNINJNQGHMEIG-LLVKDONJSA-N 0 3 256.305 2.379 20 30 CEEDHN C=CC[C@H]1CCCN(Cc2c3c(nn2C)CCOC3)C1 ZINC000895337332 630121436 /nfs/dbraw/zinc/12/14/36/630121436.db2.gz ILQHAUBGUKQUOR-ZDUSSCGKSA-N 0 3 275.396 2.281 20 30 CEEDHN C#CC1(O)CCN(Cc2cc3cc(OC)ccc3o2)CC1 ZINC000895383326 630154168 /nfs/dbraw/zinc/15/41/68/630154168.db2.gz SLWUYSCYKMKLHW-UHFFFAOYSA-N 0 3 285.343 2.402 20 30 CEEDHN C=CCNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000895475204 630212165 /nfs/dbraw/zinc/21/21/65/630212165.db2.gz UBLAESITLSYPNO-CQSZACIVSA-N 0 3 262.353 2.037 20 30 CEEDHN C=CC(C)(C)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000895627298 630278811 /nfs/dbraw/zinc/27/88/11/630278811.db2.gz DELLFTONVZCRQC-NSHDSACASA-N 0 3 253.390 2.123 20 30 CEEDHN Cc1c(Cl)cnc(N[C@H]2CCN(C)[C@H]2C)c1C#N ZINC000895736295 630325384 /nfs/dbraw/zinc/32/53/84/630325384.db2.gz KAUIEFPSFNZWJU-CABZTGNLSA-N 0 3 264.760 2.420 20 30 CEEDHN C#CCCCOc1cccnc1N[C@@H]1CCN(C)[C@H]1C ZINC000895737291 630326681 /nfs/dbraw/zinc/32/66/81/630326681.db2.gz PIGPMWFILQXYPM-UONOGXRCSA-N 0 3 273.380 2.378 20 30 CEEDHN C#CC1(N[C@H]2CCC3(C[C@H]2F)OCCO3)CCCC1 ZINC000896025719 630439278 /nfs/dbraw/zinc/43/92/78/630439278.db2.gz QEMQNZCXLOETHD-OLZOCXBDSA-N 0 3 267.344 2.156 20 30 CEEDHN N#Cc1cccc(CNC[C@@H]2CC[C@H](C(F)(F)F)O2)n1 ZINC000896280655 630518501 /nfs/dbraw/zinc/51/85/01/630518501.db2.gz PYLKLSFDTZLFFX-NWDGAFQWSA-N 0 3 285.269 2.153 20 30 CEEDHN N#Cc1cccc(CN[C@@H](CO)CCc2ccccc2)n1 ZINC000896525319 630589069 /nfs/dbraw/zinc/58/90/69/630589069.db2.gz KEVZKAVBZSBCEZ-QGZVFWFLSA-N 0 3 281.359 2.037 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@H](C)N1CCCCC1 ZINC000797836148 630764067 /nfs/dbraw/zinc/76/40/67/630764067.db2.gz DPMIOARYHUCOAR-NSHDSACASA-N 0 3 275.352 2.064 20 30 CEEDHN C#C[C@H](NC(=O)NCCN(C)Cc1ccccc1)C(C)C ZINC000798512832 630883032 /nfs/dbraw/zinc/88/30/32/630883032.db2.gz DYBDWTDCCUDLRQ-INIZCTEOSA-N 0 3 287.407 2.075 20 30 CEEDHN C#C[C@@H](NC(=O)NCCN(C)Cc1ccccc1)C(C)C ZINC000798512833 630883459 /nfs/dbraw/zinc/88/34/59/630883459.db2.gz DYBDWTDCCUDLRQ-MRXNPFEDSA-N 0 3 287.407 2.075 20 30 CEEDHN C=CCN1CC[C@H](NC(C)(C)c2ccc(F)cc2)C1=O ZINC000799135820 630985797 /nfs/dbraw/zinc/98/57/97/630985797.db2.gz QIIDRJFUBPMJJL-AWEZNQCLSA-N 0 3 276.355 2.437 20 30 CEEDHN N#CC1CCC(NCc2nc3c(s2)COCC3)CC1 ZINC000897239843 631010714 /nfs/dbraw/zinc/01/07/14/631010714.db2.gz RCPQEDGWPLQTGZ-UHFFFAOYSA-N 0 3 277.393 2.388 20 30 CEEDHN C[C@@H]1C[C@H](C)[C@@H](C(=O)C(C#N)C(=O)Nc2ccccc2)O1 ZINC000800385573 631117150 /nfs/dbraw/zinc/11/71/50/631117150.db2.gz ZVRSVLFQEDSARD-WJNVRWDZSA-N 0 3 286.331 2.147 20 30 CEEDHN CN(C)Cc1cccc(C(=O)N[C@H](CC#N)C(F)(F)F)c1 ZINC000928807197 631168303 /nfs/dbraw/zinc/16/83/03/631168303.db2.gz WIVHXIYYISNULE-GFCCVEGCSA-N 0 3 299.296 2.323 20 30 CEEDHN C[C@@H]1[C@H](NCc2ccc(C#N)s2)CCN1C(=O)C1CC1 ZINC000985843680 631188434 /nfs/dbraw/zinc/18/84/34/631188434.db2.gz IXWMIBBYVXCYMH-QMTHXVAHSA-N 0 3 289.404 2.109 20 30 CEEDHN C[C@H](C#N)OCCN1CC[C@H](CC(F)(F)F)C1 ZINC000801950826 631369756 /nfs/dbraw/zinc/36/97/56/631369756.db2.gz OMQVBFBRQQOJDV-NXEZZACHSA-N 0 3 250.264 2.189 20 30 CEEDHN C=CCN(C)C(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000897445002 631521318 /nfs/dbraw/zinc/52/13/18/631521318.db2.gz YGHNLKOORUNNEG-HNNXBMFYSA-N 0 3 276.380 2.379 20 30 CEEDHN C=CCN(C)C(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897445003 631521670 /nfs/dbraw/zinc/52/16/70/631521670.db2.gz YGHNLKOORUNNEG-OAHLLOKOSA-N 0 3 276.380 2.379 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(CC)s2)C1 ZINC000989131522 631731630 /nfs/dbraw/zinc/73/16/30/631731630.db2.gz PGGDQSRUSYWDEQ-NWDGAFQWSA-N 0 3 276.405 2.136 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(CC)s2)C1 ZINC000989131524 631731896 /nfs/dbraw/zinc/73/18/96/631731896.db2.gz PGGDQSRUSYWDEQ-RYUDHWBXSA-N 0 3 276.405 2.136 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCc2ccc(C)cc2)C1 ZINC000989152346 631736886 /nfs/dbraw/zinc/73/68/86/631736886.db2.gz CXZYYRNEHNSJLJ-NVXWUHKLSA-N 0 3 284.403 2.140 20 30 CEEDHN C#CCCNC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000807441956 631841417 /nfs/dbraw/zinc/84/14/17/631841417.db2.gz SHFTWVMKFSYVFF-CHWSQXEVSA-N 0 3 277.368 2.031 20 30 CEEDHN Cc1cc(CN[C@@H]2COc3ccccc3[C@H]2O)ccc1C#N ZINC000808453712 631965820 /nfs/dbraw/zinc/96/58/20/631965820.db2.gz JUSPCIJWMFQPIP-SJLPKXTDSA-N 0 3 294.354 2.451 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)COC1CCCCC1 ZINC000193381518 631990275 /nfs/dbraw/zinc/99/02/75/631990275.db2.gz MSSGPFZHFSFBON-CQSZACIVSA-N 0 3 294.395 2.351 20 30 CEEDHN CCN(C[C@H](O)CC#N)[C@H](C)c1ccc(C#N)cc1 ZINC000809572196 632101722 /nfs/dbraw/zinc/10/17/22/632101722.db2.gz IXDZNNQZMRXIOC-IUODEOHRSA-N 0 3 257.337 2.216 20 30 CEEDHN C[C@H](C#N)OCCN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000810047399 632173215 /nfs/dbraw/zinc/17/32/15/632173215.db2.gz CLKBEHNGHWIHLQ-PBHICJAKSA-N 0 3 286.375 2.385 20 30 CEEDHN C#CCCN1CCCN(C(=O)c2ccc(C)cc2)CC1 ZINC000989547527 632202773 /nfs/dbraw/zinc/20/27/73/632202773.db2.gz GFBWBSFRANQCLM-UHFFFAOYSA-N 0 3 270.376 2.166 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc3ccncc32)C1 ZINC000989633033 632214235 /nfs/dbraw/zinc/21/42/35/632214235.db2.gz UEIDAXQTTGLILG-UKRRQHHQSA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc(C)c2C)C1 ZINC000989741336 632235688 /nfs/dbraw/zinc/23/56/88/632235688.db2.gz BNSKTNUOKBZXAL-HIFRSBDPSA-N 0 3 270.376 2.129 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(CC)c(C)s2)C1 ZINC000989768290 632237696 /nfs/dbraw/zinc/23/76/96/632237696.db2.gz BXRBQWJRKJAFBD-SMDDNHRTSA-N 0 3 290.432 2.445 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C)c(CC)s2)C1 ZINC000989766567 632237707 /nfs/dbraw/zinc/23/77/07/632237707.db2.gz RCTGOEHBOHJCPP-CHWSQXEVSA-N 0 3 290.432 2.445 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C3CC3)cc2)C1 ZINC000989819737 632246310 /nfs/dbraw/zinc/24/63/10/632246310.db2.gz MZOBJYFGGWYQLE-CXAGYDPISA-N 0 3 282.387 2.390 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc(C3CC3)c2)C1 ZINC000989835514 632249492 /nfs/dbraw/zinc/24/94/92/632249492.db2.gz SWOPPTWAXHATGJ-DYVFJYSZSA-N 0 3 282.387 2.390 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cncc3ccccc32)C1 ZINC000989827043 632250928 /nfs/dbraw/zinc/25/09/28/632250928.db2.gz XJKKZDHYMNADMA-ZFWWWQNUSA-N 0 3 293.370 2.061 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccnc(F)c3)CCC[C@H]12 ZINC000990016899 632302412 /nfs/dbraw/zinc/30/24/12/632302412.db2.gz PKJSUHDAFHBDRE-BBRMVZONSA-N 0 3 289.354 2.134 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)CC3CCC3)CCC[C@@H]12 ZINC000990135584 632319290 /nfs/dbraw/zinc/31/92/90/632319290.db2.gz NOWBBHIMBHVNAY-WBVHZDCISA-N 0 3 274.408 2.313 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ncccc3C)CCC[C@@H]12 ZINC000990166205 632323108 /nfs/dbraw/zinc/32/31/08/632323108.db2.gz ZKYOOLMQHYSATR-PBHICJAKSA-N 0 3 285.391 2.303 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)[C@H]3CC3(C)C)CCC[C@@H]12 ZINC000990276987 632333465 /nfs/dbraw/zinc/33/34/65/632333465.db2.gz PAGABJFGZMQOFR-IOASZLSFSA-N 0 3 262.397 2.332 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)sn3)CCC[C@@H]12 ZINC000990415464 632350884 /nfs/dbraw/zinc/35/08/84/632350884.db2.gz HCAZCQGYGMTXMS-HIFRSBDPSA-N 0 3 291.420 2.364 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3cc[nH]c3CC)CCC[C@@H]12 ZINC000990512357 632373674 /nfs/dbraw/zinc/37/36/74/632373674.db2.gz FXVXDTJNYOZHFM-AEFFLSMTSA-N 0 3 299.418 2.327 20 30 CEEDHN C=CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000811359508 632376439 /nfs/dbraw/zinc/37/64/39/632376439.db2.gz LIEBPYPDYRFVGJ-AWEZNQCLSA-N 0 3 256.365 2.233 20 30 CEEDHN CC[C@@H](O)CNN=Cc1ccc(N2CCCCC2)cc1 ZINC000811654647 632415406 /nfs/dbraw/zinc/41/54/06/632415406.db2.gz ZZGIGNQBMYHLFQ-MRXNPFEDSA-N 0 3 275.396 2.371 20 30 CEEDHN C=CC(C)(C)NCc1c(C)nc2sc(C)nn12 ZINC000898458194 632504659 /nfs/dbraw/zinc/50/46/59/632504659.db2.gz YVZGHTOLROFDMX-UHFFFAOYSA-N 0 3 250.371 2.462 20 30 CEEDHN CCN(CC#CCOC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812853026 632595486 /nfs/dbraw/zinc/59/54/86/632595486.db2.gz MTTZFSUMJFEGSS-HOCLYGCPSA-N 0 3 261.365 2.080 20 30 CEEDHN CC(C)(C)[C@H](C#N)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000813036861 632610527 /nfs/dbraw/zinc/61/05/27/632610527.db2.gz COTIQQLPXBNRGZ-XHDPSFHLSA-N 0 3 283.391 2.253 20 30 CEEDHN CC(C)C[C@@H](C#N)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000813124098 632631472 /nfs/dbraw/zinc/63/14/72/632631472.db2.gz UCIKHJIRZBELTL-SWLSCSKDSA-N 0 3 283.391 2.253 20 30 CEEDHN C#CCCCCCN1CCO[C@@]2(CCSC2)C1 ZINC000878758275 651180647 /nfs/dbraw/zinc/18/06/47/651180647.db2.gz INGPLTTXIAWSMK-AWEZNQCLSA-N 0 3 253.411 2.388 20 30 CEEDHN CC1/C(=C/c2ccc3c(c2)CCCO3)C(=O)c2ncnn21 ZINC000899380213 632821645 /nfs/dbraw/zinc/82/16/45/632821645.db2.gz FKOATCYKWMYSPB-AAIQCTMTSA-N 0 3 281.315 2.444 20 30 CEEDHN CCCC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccccn1 ZINC000814886001 632914052 /nfs/dbraw/zinc/91/40/52/632914052.db2.gz ONGNMJXZKANZRB-OKILXGFUSA-N 0 3 285.395 2.446 20 30 CEEDHN COc1cccc(NC(=O)C(C#N)C(=O)CC2(C#N)CC2)c1 ZINC000815906960 633077077 /nfs/dbraw/zinc/07/70/77/633077077.db2.gz NYDOBEFJNNGBMC-ZDUSSCGKSA-N 0 3 297.314 2.036 20 30 CEEDHN C[C@H](C#N)OCCN1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000817279703 633618155 /nfs/dbraw/zinc/61/81/55/633618155.db2.gz SYBNQQFRYHITTE-BFHYXJOUSA-N 0 3 296.411 2.357 20 30 CEEDHN C#CCNC(=O)CN1CC[C@@H](c2ccccc2)C1(C)C ZINC000817296699 633623500 /nfs/dbraw/zinc/62/35/00/633623500.db2.gz JXLXKLLZPWAHRZ-HNNXBMFYSA-N 0 3 270.376 2.004 20 30 CEEDHN COC(=O)N1CCC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000817407185 633649015 /nfs/dbraw/zinc/64/90/15/633649015.db2.gz DSODRWNFCINQOX-CYBMUJFWSA-N 0 3 291.326 2.018 20 30 CEEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CC12CC2 ZINC000817730437 633730761 /nfs/dbraw/zinc/73/07/61/633730761.db2.gz PDVFMOYUWLFNDL-UONOGXRCSA-N 0 3 282.343 2.154 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccnn1C1CCCCC1 ZINC000818047607 633848871 /nfs/dbraw/zinc/84/88/71/633848871.db2.gz PJNDTBBJMRUDHJ-CYBMUJFWSA-N 0 3 289.383 2.348 20 30 CEEDHN N#CCCNCCCCC(=O)OCc1ccccc1 ZINC000819219179 634108188 /nfs/dbraw/zinc/10/81/88/634108188.db2.gz NXDSQIATNJZEIT-UHFFFAOYSA-N 0 3 260.337 2.403 20 30 CEEDHN N#CCC1(CNC[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000819281482 634126714 /nfs/dbraw/zinc/12/67/14/634126714.db2.gz VCHVOKWTSOWNAM-CYBMUJFWSA-N 0 3 266.291 2.282 20 30 CEEDHN C#C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccc(F)cc1 ZINC000819997664 634309640 /nfs/dbraw/zinc/30/96/40/634309640.db2.gz MRNABXAQLUQGAU-HOTGVXAUSA-N 0 3 288.366 2.489 20 30 CEEDHN C[C@H](N[C@@H](CO)CC(C)(C)C)c1cc(C#N)ccn1 ZINC000902880731 634876271 /nfs/dbraw/zinc/87/62/71/634876271.db2.gz BFCULKUQOALXML-WCQYABFASA-N 0 3 261.369 2.401 20 30 CEEDHN CCOC(CCN[C@H](C)c1cc(C#N)ccn1)OCC ZINC000902971412 634924112 /nfs/dbraw/zinc/92/41/12/634924112.db2.gz XZNGGSPKMSIVDB-GFCCVEGCSA-N 0 3 277.368 2.393 20 30 CEEDHN CC[C@H](N[C@@H]1COC[C@H]1OC)c1cccc(C#N)c1 ZINC000903037263 634941774 /nfs/dbraw/zinc/94/17/74/634941774.db2.gz GZPBOUBMKXHUBP-RRFJBIMHSA-N 0 3 260.337 2.013 20 30 CEEDHN C[C@@H](NC[C@H](CO)CC1CC1)c1cc(C#N)ccn1 ZINC000903053735 634957327 /nfs/dbraw/zinc/95/73/27/634957327.db2.gz SLQBZGMGRBAKTQ-BXUZGUMPSA-N 0 3 259.353 2.012 20 30 CEEDHN C[C@@H](NC[C@@H](O)Cc1ccccc1F)c1cc(C#N)ccn1 ZINC000903094663 634975925 /nfs/dbraw/zinc/97/59/25/634975925.db2.gz PCPQRAZRCXXCPG-DOMZBBRYSA-N 0 3 299.349 2.347 20 30 CEEDHN CC(C)N1CCC[C@@H]1C(=O)N1CCc2cc(C#N)ccc21 ZINC000822799284 634998783 /nfs/dbraw/zinc/99/87/83/634998783.db2.gz GDODCLKTGMFYTF-MRXNPFEDSA-N 0 3 283.375 2.320 20 30 CEEDHN CO[C@@H]1CCOC[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000903299229 635046593 /nfs/dbraw/zinc/04/65/93/635046593.db2.gz IKAZRFPHPIALIQ-BRWVUGGUSA-N 0 3 286.375 2.329 20 30 CEEDHN CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNCC(C)(C)C#N)C1 ZINC000824153280 635365294 /nfs/dbraw/zinc/36/52/94/635365294.db2.gz GHXYQBLWYUCLCG-MLGOLLRUSA-N 0 3 293.411 2.383 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(Cl)c(C)c1 ZINC000824861145 635514786 /nfs/dbraw/zinc/51/47/86/635514786.db2.gz IMBJCXGQWQMHBF-NEPJUHHUSA-N 0 3 252.745 2.477 20 30 CEEDHN COC(=O)C1(C#N)CCN(CCC(C)(C)C)CC1 ZINC000824872536 635516944 /nfs/dbraw/zinc/51/69/44/635516944.db2.gz UERVMLBPENYFBJ-UHFFFAOYSA-N 0 3 252.358 2.201 20 30 CEEDHN Oc1cccc(/C=N/[C@@H]2CCCN3CCSC[C@H]23)c1O ZINC000905003035 635773641 /nfs/dbraw/zinc/77/36/41/635773641.db2.gz OFZWEXRNGHGMGG-SUNVMROUSA-N 0 3 292.404 2.097 20 30 CEEDHN COc1ccc(C)cc1/C=C1\C(=O)c2ncnn2C1C ZINC000905083156 635798787 /nfs/dbraw/zinc/79/87/87/635798787.db2.gz ZVFCESXNGIIYDZ-BZPKPHBRSA-N 0 3 269.304 2.436 20 30 CEEDHN C=CC[C@@H](NC[C@](C)(O)C(F)F)c1ccncc1 ZINC000905121059 635826180 /nfs/dbraw/zinc/82/61/80/635826180.db2.gz JLUBSTVVBIXKTN-YPMHNXCESA-N 0 3 256.296 2.305 20 30 CEEDHN C#CCOc1ccc(CN2CCC3=C(CCC(=O)N3)C2)cc1 ZINC000826780769 635844665 /nfs/dbraw/zinc/84/46/65/635844665.db2.gz PTSSRGGLKPEIGC-UHFFFAOYSA-N 0 3 296.370 2.068 20 30 CEEDHN C[C@](O)(CN[C@H]1CCc2cc(C#N)ccc21)C(F)F ZINC000905236033 636188897 /nfs/dbraw/zinc/18/88/97/636188897.db2.gz DEDJEAREKYBCDI-JSGCOSHPSA-N 0 3 266.291 2.151 20 30 CEEDHN CN(C(=O)c1cc(C#N)ccc1F)[C@H]1CCN(C2CC2)C1 ZINC000827284765 636279578 /nfs/dbraw/zinc/27/95/78/636279578.db2.gz WUJZPDXJBAQOOS-ZDUSSCGKSA-N 0 3 287.338 2.006 20 30 CEEDHN C#C[C@@H](NCc1cnc(C(C)(C)C)nc1)C1CCOCC1 ZINC000827560295 636352417 /nfs/dbraw/zinc/35/24/17/636352417.db2.gz ONGMPVNHLDKRAL-OAHLLOKOSA-N 0 3 287.407 2.292 20 30 CEEDHN C#C[C@@H](NCc1cn(C(C)C)nc1C)C1CCOCC1 ZINC000827559885 636352807 /nfs/dbraw/zinc/35/28/07/636352807.db2.gz KUUKEDXSWPETOU-MRXNPFEDSA-N 0 3 275.396 2.290 20 30 CEEDHN C#C[C@@H](NCc1ccc(N2CCCC2)nc1)C1CCOCC1 ZINC000827565602 636355563 /nfs/dbraw/zinc/35/55/63/636355563.db2.gz NMQJRGRFFNJPCX-QGZVFWFLSA-N 0 3 299.418 2.200 20 30 CEEDHN C#C[C@H]([NH2+]Cc1ccc(OCC)cc1[O-])C1CCOCC1 ZINC000827570899 636357331 /nfs/dbraw/zinc/35/73/31/636357331.db2.gz UJCBYOKCGBYFOT-INIZCTEOSA-N 0 3 289.375 2.309 20 30 CEEDHN C#CCC[C@H](O)CNc1ccnc2ccc(CC)cc21 ZINC000828081331 636502817 /nfs/dbraw/zinc/50/28/17/636502817.db2.gz VCFSENJDODQOMY-AWEZNQCLSA-N 0 3 268.360 2.405 20 30 CEEDHN C#CCCN1CCN(CCCN(C)c2ccccc2)CC1 ZINC000828103162 636508916 /nfs/dbraw/zinc/50/89/16/636508916.db2.gz AWUFDKXALZQVSZ-UHFFFAOYSA-N 0 3 285.435 2.154 20 30 CEEDHN CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000828141010 636519650 /nfs/dbraw/zinc/51/96/50/636519650.db2.gz JFBFNXUVDSLLDE-MELADBBJSA-N 0 3 263.385 2.010 20 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261.321 2.302 20 30 CEEDHN CC(C)C#CC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000830010009 636969442 /nfs/dbraw/zinc/96/94/42/636969442.db2.gz KRDCGKJEEUJKSZ-WBVHZDCISA-N 0 3 284.403 2.425 20 30 CEEDHN CC[C@H](CC#N)NC(=O)C(C)(C)N1CCCCC1 ZINC000907389720 637007610 /nfs/dbraw/zinc/00/76/10/637007610.db2.gz TZUJOOKQJOUNTM-GFCCVEGCSA-N 0 3 251.374 2.059 20 30 CEEDHN C#CC1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000830311826 637032533 /nfs/dbraw/zinc/03/25/33/637032533.db2.gz WNXFWZJXFRYDCN-HNNXBMFYSA-N 0 3 284.403 2.379 20 30 CEEDHN C#CCCCCCCN(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000876538724 650312147 /nfs/dbraw/zinc/31/21/47/650312147.db2.gz VTNXMXQDQKLSJV-HNNXBMFYSA-N 0 3 285.453 2.469 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCc2ccccc21 ZINC000876543361 650314537 /nfs/dbraw/zinc/31/45/37/650314537.db2.gz BGHAKAMOLYJPHQ-LBPRGKRZSA-N 0 3 264.756 2.436 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccccc1C ZINC000876560642 650328593 /nfs/dbraw/zinc/32/85/93/650328593.db2.gz JKKOYDYZFYSQNA-ZDUSSCGKSA-N 0 3 266.772 2.124 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCOC1CCCCC1 ZINC000876565710 650333359 /nfs/dbraw/zinc/33/33/59/650333359.db2.gz LYVXCCJGHQNERI-CYBMUJFWSA-N 0 3 288.819 2.312 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(F)c(C)c1 ZINC000876570480 650335959 /nfs/dbraw/zinc/33/59/59/650335959.db2.gz DJCLYGJNBYZLRN-GFCCVEGCSA-N 0 3 270.735 2.220 20 30 CEEDHN C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCN(C)[C@@H](C)C1 ZINC000908662134 637449280 /nfs/dbraw/zinc/44/92/80/637449280.db2.gz YSIIUTLXPYUEAJ-KKUMJFAQSA-N 0 3 292.423 2.243 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CC1CCCCC1 ZINC000876576915 650341186 /nfs/dbraw/zinc/34/11/86/650341186.db2.gz OLUOYOXLIVLZMI-GFCCVEGCSA-N 0 3 258.793 2.495 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CC1CCCCC1 ZINC000876576916 650341277 /nfs/dbraw/zinc/34/12/77/650341277.db2.gz OLUOYOXLIVLZMI-LBPRGKRZSA-N 0 3 258.793 2.495 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000876593655 650350800 /nfs/dbraw/zinc/35/08/00/650350800.db2.gz PGCMUIPRACOGNY-UONOGXRCSA-N 0 3 278.783 2.472 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000876593653 650351015 /nfs/dbraw/zinc/35/10/15/650351015.db2.gz PGCMUIPRACOGNY-KBPBESRZSA-N 0 3 278.783 2.472 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)c1ccccc1OC ZINC000876601868 650354784 /nfs/dbraw/zinc/35/47/84/650354784.db2.gz ZFPMYHCVLWPZHS-JTQLQIEISA-N 0 3 268.744 2.128 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)Cc1ccsc1 ZINC000876612660 650359034 /nfs/dbraw/zinc/35/90/34/650359034.db2.gz SKWUIXUDOHLHEY-MWLCHTKSSA-N 0 3 272.801 2.265 20 30 CEEDHN CCN1CCCN(C(=O)c2cscc2C#N)[C@@H](C)C1 ZINC000910270389 637966018 /nfs/dbraw/zinc/96/60/18/637966018.db2.gz LSQYXROKXABSDT-NSHDSACASA-N 0 3 277.393 2.176 20 30 CEEDHN C=CCONC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000834924033 637990569 /nfs/dbraw/zinc/99/05/69/637990569.db2.gz WUQDBLVKJQKAIA-OAHLLOKOSA-N 0 3 291.395 2.269 20 30 CEEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000835064355 638046064 /nfs/dbraw/zinc/04/60/64/638046064.db2.gz VTXLBPYAQOJIAE-UONOGXRCSA-N 0 3 288.347 2.458 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1CC ZINC000876676332 650395136 /nfs/dbraw/zinc/39/51/36/650395136.db2.gz VVJCGWYTZGFSEV-CYBMUJFWSA-N 0 3 266.772 2.335 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC000876682441 650397280 /nfs/dbraw/zinc/39/72/80/650397280.db2.gz IDWFCIFRGNUTEZ-ONGXEEELSA-N 0 3 298.745 2.410 20 30 CEEDHN C[C@@H](OCCc1ccccc1)C(=O)C(C#N)c1ccncn1 ZINC000835304621 638179188 /nfs/dbraw/zinc/17/91/88/638179188.db2.gz WCHPIOXHGCTQHG-UKRRQHHQSA-N 0 3 295.342 2.301 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CCC3(F)F)CCC[C@@H]12 ZINC000991301182 638237765 /nfs/dbraw/zinc/23/77/65/638237765.db2.gz PYYDBLDGWIDBFA-YRGRVCCFSA-N 0 3 284.350 2.331 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000836300462 638593713 /nfs/dbraw/zinc/59/37/13/638593713.db2.gz QOZODSXLFIKIOH-SOUVJXGZSA-N 0 3 279.428 2.065 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccsc1C#N ZINC000912284076 638630874 /nfs/dbraw/zinc/63/08/74/638630874.db2.gz NXUXSIAOSRAZEI-SNVBAGLBSA-N 0 3 277.393 2.222 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000836490282 638649164 /nfs/dbraw/zinc/64/91/64/638649164.db2.gz ROQAQJODSRDQRW-RRFJBIMHSA-N 0 3 279.428 2.065 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCC(C)(C)C1CCC1 ZINC000836491193 638649752 /nfs/dbraw/zinc/64/97/52/638649752.db2.gz JTHVENQXGTWJSI-UHFFFAOYSA-N 0 3 279.428 2.067 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000912407880 638682718 /nfs/dbraw/zinc/68/27/18/638682718.db2.gz RSZJBGPMQFRBHO-SOUVJXGZSA-N 0 3 282.428 2.382 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CC12CCCCC2 ZINC000876888647 650475409 /nfs/dbraw/zinc/47/54/09/650475409.db2.gz UFQCEGWNDFRAQE-GHMZBOCLSA-N 0 3 256.777 2.295 20 30 CEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCC(C)(C)CC#N)C1 ZINC000837894766 639435187 /nfs/dbraw/zinc/43/51/87/639435187.db2.gz ZDIZCMLLYMMKMZ-HNNXBMFYSA-N 0 3 283.391 2.255 20 30 CEEDHN N#Cc1cnc(Cl)c(CNCCCCn2ccnc2)c1 ZINC000876959413 650506185 /nfs/dbraw/zinc/50/61/85/650506185.db2.gz SDGZUHMDSQSYDC-UHFFFAOYSA-N 0 3 289.770 2.373 20 30 CEEDHN CC[C@H](CCO)CNCc1cc(C#N)cnc1Cl ZINC000877111173 639560072 /nfs/dbraw/zinc/56/00/72/639560072.db2.gz HHEFNBIQDDTCGC-SNVBAGLBSA-N 0 3 267.760 2.105 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(C#N)CCCCC1 ZINC000876970881 650512967 /nfs/dbraw/zinc/51/29/67/650512967.db2.gz FIOOUGXGCRMOTI-NSHDSACASA-N 0 3 269.776 2.047 20 30 CEEDHN CC(C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000228939259 639665255 /nfs/dbraw/zinc/66/52/55/639665255.db2.gz LBOLAFZROLEVPE-STQMWFEESA-N 0 3 289.379 2.153 20 30 CEEDHN CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC(C#N)CC2)C1 ZINC000172766891 639799311 /nfs/dbraw/zinc/79/93/11/639799311.db2.gz HHVCOQSMSSFTSO-AWEZNQCLSA-N 0 3 293.411 2.479 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1=COCCC1 ZINC000173901217 639880897 /nfs/dbraw/zinc/88/08/97/639880897.db2.gz ZDQQEMAFGHSGPH-LBPRGKRZSA-N 0 3 281.315 2.444 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)c1cccc(F)c1 ZINC000173983188 639889482 /nfs/dbraw/zinc/88/94/82/639889482.db2.gz ZSQYAYKCXJYAOE-GXFFZTMASA-N 0 3 276.311 2.163 20 30 CEEDHN CO[C@H](CN[C@@H](C)CC1(C#N)CCOCC1)C(F)(F)F ZINC000877027525 650537381 /nfs/dbraw/zinc/53/73/81/650537381.db2.gz NZFBYXSIZFLRHN-WDEREUQCSA-N 0 3 294.317 2.252 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)C3CC4(CCC4)C3)CCC[C@H]12 ZINC000992111201 639963907 /nfs/dbraw/zinc/96/39/07/639963907.db2.gz JUBZVBVKARFUCH-YJBOKZPZSA-N 0 3 286.419 2.313 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccn(C)c3C)CCC[C@H]12 ZINC000992159622 639976990 /nfs/dbraw/zinc/97/69/90/639976990.db2.gz JMMMDSKNOWZCKS-RDJZCZTQSA-N 0 3 287.407 2.246 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccn(C)c3C)CCC[C@H]12 ZINC000992159616 639977267 /nfs/dbraw/zinc/97/72/67/639977267.db2.gz JMMMDSKNOWZCKS-DOTOQJQBSA-N 0 3 287.407 2.246 20 30 CEEDHN CC[C@@H](OC1CCCC1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000842285118 639997656 /nfs/dbraw/zinc/99/76/56/639997656.db2.gz NBKCSDJEVGFNCC-UONOGXRCSA-N 0 3 292.379 2.055 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CC(C)C)CCC[C@@H]12 ZINC000992242699 640002468 /nfs/dbraw/zinc/00/24/68/640002468.db2.gz SEPIRPKFVBZXQB-KONPQCLYSA-N 0 3 288.435 2.415 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(OC)o3)CCC[C@@H]12 ZINC000992363649 640033726 /nfs/dbraw/zinc/03/37/26/640033726.db2.gz IETWRWGSTPODLA-CJNGLKHVSA-N 0 3 290.363 2.201 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(F)(F)C[C@@H]1C ZINC000877043761 650544499 /nfs/dbraw/zinc/54/44/99/650544499.db2.gz NVXCHQIEAUPWSB-DTWKUNHWSA-N 0 3 266.719 2.103 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3cccn3CC)CCC[C@@H]12 ZINC000992481690 640117993 /nfs/dbraw/zinc/11/79/93/640117993.db2.gz BWJNVKSOQUECPF-NVXWUHKLSA-N 0 3 287.407 2.421 20 30 CEEDHN C#CCN(C(=O)NC[C@H]1CC=CCC1)C1CCN(C)CC1 ZINC000914414831 640347544 /nfs/dbraw/zinc/34/75/44/640347544.db2.gz FEJLRDPHOJOUIU-HNNXBMFYSA-N 0 3 289.423 2.082 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2cccs2)[C@H]1C ZINC000992983244 640392355 /nfs/dbraw/zinc/39/23/55/640392355.db2.gz 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C#CCCN1CC[C@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001015755192 640833081 /nfs/dbraw/zinc/83/30/81/640833081.db2.gz KTRNTQHVFJIVFP-ROUUACIJSA-N 0 3 296.414 2.005 20 30 CEEDHN CC(C)[C@H]1CN(C)CCN1Cc1cc(C#N)cnc1Cl ZINC000877180408 650612530 /nfs/dbraw/zinc/61/25/30/650612530.db2.gz VHFSWJQSNGLKCQ-CQSZACIVSA-N 0 3 292.814 2.379 20 30 CEEDHN CCCSCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000918487211 640962854 /nfs/dbraw/zinc/96/28/54/640962854.db2.gz LLQKBRXPQRDZLA-GFCCVEGCSA-N 0 3 282.409 2.287 20 30 CEEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](C)c2nnnn2C2CC2)C1 ZINC000845964059 641139888 /nfs/dbraw/zinc/13/98/88/641139888.db2.gz XDXMFAPUZFOKLQ-QJPTWQEYSA-N 0 3 261.373 2.403 20 30 CEEDHN CN(Cc1ccn(C)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000846008342 641150158 /nfs/dbraw/zinc/15/01/58/641150158.db2.gz VUQKZDZPFLJTRA-INIZCTEOSA-N 0 3 269.348 2.062 20 30 CEEDHN CCOC(CN(CC)[C@H]1CC[C@@H](C#N)C1)OCC ZINC000846977658 641506300 /nfs/dbraw/zinc/50/63/00/641506300.db2.gz WERMAXWKYYEDSU-OLZOCXBDSA-N 0 3 254.374 2.400 20 30 CEEDHN 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CC#CCN1CCC(CNC(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC001002006439 642751389 /nfs/dbraw/zinc/75/13/89/642751389.db2.gz UBRDOZUTCIPYSS-RDJZCZTQSA-N 0 3 276.424 2.274 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2ccc(Cl)s2)CC1 ZINC001002105622 642754884 /nfs/dbraw/zinc/75/48/84/642754884.db2.gz KSUFCFRGTWDANO-UHFFFAOYSA-N 0 3 296.823 2.477 20 30 CEEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)C(C#N)c1nc(C)cs1 ZINC000850736696 642768341 /nfs/dbraw/zinc/76/83/41/642768341.db2.gz LOSIABXZKIPJOE-VXGBXAGGSA-N 0 3 291.376 2.099 20 30 CEEDHN C[C@H](Cc1ccco1)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000850768033 642779168 /nfs/dbraw/zinc/77/91/68/642779168.db2.gz KFHWZZQEPVJKBI-BXUZGUMPSA-N 0 3 288.347 2.226 20 30 CEEDHN C=CCC[NH+]1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001002368273 642781044 /nfs/dbraw/zinc/78/10/44/642781044.db2.gz AFSVXTPRRHUSMB-UHFFFAOYSA-N 0 3 274.364 2.163 20 30 CEEDHN COC(OC)[C@H](C)NCc1c(C)cc(C#N)cc1C ZINC000922313722 643020796 /nfs/dbraw/zinc/02/07/96/643020796.db2.gz AVMMIYHYKSUAAI-LBPRGKRZSA-N 0 3 262.353 2.272 20 30 CEEDHN C#CC[C@H]1CCCN(Cc2cc(C(=O)OC)c(C)[nH]2)C1 ZINC000877605448 650810477 /nfs/dbraw/zinc/81/04/77/650810477.db2.gz RCKMHLRJAGAPDW-ZDUSSCGKSA-N 0 3 274.364 2.345 20 30 CEEDHN N#Cc1ccc(CN[C@H](CO)CCc2ccccc2)o1 ZINC000922544739 643117951 /nfs/dbraw/zinc/11/79/51/643117951.db2.gz UIKVHCJYKJBNSI-AWEZNQCLSA-N 0 3 270.332 2.235 20 30 CEEDHN CO[C@@]1(CNCc2csc(C#N)c2)CCSC1 ZINC000922566979 643131662 /nfs/dbraw/zinc/13/16/62/643131662.db2.gz DVSDIBGXYKXEQR-GFCCVEGCSA-N 0 3 268.407 2.231 20 30 CEEDHN N#Cc1ccc(CN(C[C@@H]2CCC(=O)O2)C2CC2)cc1 ZINC000851738385 643136606 /nfs/dbraw/zinc/13/66/06/643136606.db2.gz FAAQMWWNRXMJEQ-HNNXBMFYSA-N 0 3 270.332 2.228 20 30 CEEDHN C#CCOCCN1CCSC[C@H]1c1ccccc1 ZINC000851775682 643155866 /nfs/dbraw/zinc/15/58/66/643155866.db2.gz XPCGDAWHXOKXJE-HNNXBMFYSA-N 0 3 261.390 2.426 20 30 CEEDHN CC(C)CN(CCC#N)CC[C@@H]1COC(C)(C)O1 ZINC000851779371 643158337 /nfs/dbraw/zinc/15/83/37/643158337.db2.gz SOQTWWNZIIECMI-CYBMUJFWSA-N 0 3 254.374 2.400 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@H](O)c1ccccn1 ZINC000851913706 643221479 /nfs/dbraw/zinc/22/14/79/643221479.db2.gz YHZRJYLBHCASQU-INIZCTEOSA-N 0 3 272.348 2.439 20 30 CEEDHN N#Cc1ccc(N2CCN(CCC3CCC3)CC2)cn1 ZINC000851999919 643259718 /nfs/dbraw/zinc/25/97/18/643259718.db2.gz MJIACKXGHMCDQW-UHFFFAOYSA-N 0 3 270.380 2.265 20 30 CEEDHN C#CCOCCN1CCCC[C@@H]1COC(=O)NCCCC ZINC000852038097 643274259 /nfs/dbraw/zinc/27/42/59/643274259.db2.gz IIRHCDKRFQJUDE-OAHLLOKOSA-N 0 3 296.411 2.017 20 30 CEEDHN C=CCc1cc(CNC2CSC2)cc(OC)c1O ZINC000877635270 650826843 /nfs/dbraw/zinc/82/68/43/650826843.db2.gz KXGYPLDLKIWZNM-UHFFFAOYSA-N 0 3 265.378 2.334 20 30 CEEDHN C#C[C@H]([NH2+]Cc1c(C)cccc1[O-])C1CCOCC1 ZINC000877636871 650827491 /nfs/dbraw/zinc/82/74/91/650827491.db2.gz CPRJDCNHCUBMLK-HNNXBMFYSA-N 0 3 259.349 2.219 20 30 CEEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N(CC)CC(=C)C ZINC000852099601 643303742 /nfs/dbraw/zinc/30/37/42/643303742.db2.gz NIWNBIDETUUQGJ-UKRRQHHQSA-N 0 3 250.386 2.191 20 30 CEEDHN 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CEEDHN C=CCONC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000838703473 643995709 /nfs/dbraw/zinc/99/57/09/643995709.db2.gz JZJQHDZDTFCVQI-CQSZACIVSA-N 0 3 277.368 2.015 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)C1CC(C(C)(C)C)C1 ZINC000838789074 644022707 /nfs/dbraw/zinc/02/27/07/644022707.db2.gz XYWWBGBUEBNNIW-HTAVTVPLSA-N 0 3 262.353 2.070 20 30 CEEDHN CO[C@H](CN1CCN(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000877745431 650891859 /nfs/dbraw/zinc/89/18/59/650891859.db2.gz UOISTOOIWLMBAD-QGZVFWFLSA-N 0 3 285.391 2.105 20 30 CEEDHN N#Cc1ccc(N2CCN(CCC[C@@H]3CCO3)CC2)cc1 ZINC000877745352 650892100 /nfs/dbraw/zinc/89/21/00/650892100.db2.gz QYSOPFBPPPYYSX-QGZVFWFLSA-N 0 3 285.391 2.249 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc(C#N)ccc1F ZINC000855162673 644261792 /nfs/dbraw/zinc/26/17/92/644261792.db2.gz LMRCLSIQMMXZJJ-LBPRGKRZSA-N 0 3 289.354 2.300 20 30 CEEDHN CCN(C(=O)c1ccc(C)c(C#N)c1)[C@H]1CCN(CC)C1 ZINC000855487833 644369017 /nfs/dbraw/zinc/36/90/17/644369017.db2.gz ZDINTZKSIDXHBE-INIZCTEOSA-N 0 3 285.391 2.423 20 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C=CCCO[N-]C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000856032816 644548747 /nfs/dbraw/zinc/54/87/47/644548747.db2.gz RPCOYHVVWHVOEN-ZDUSSCGKSA-N 0 3 266.385 2.265 20 30 CEEDHN C=CCCO[N-]C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000856032816 644548752 /nfs/dbraw/zinc/54/87/52/644548752.db2.gz RPCOYHVVWHVOEN-ZDUSSCGKSA-N 0 3 266.385 2.265 20 30 CEEDHN CCC1(C(=O)C(C#N)c2nc(C)cs2)COC1 ZINC000756225633 644617883 /nfs/dbraw/zinc/61/78/83/644617883.db2.gz SZDFKGJATBEVGF-VIFPVBQESA-N 0 3 250.323 2.054 20 30 CEEDHN C=CCNC(=S)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000757539442 644810269 /nfs/dbraw/zinc/81/02/69/644810269.db2.gz DIIYWRUNPASBSX-UKRRQHHQSA-N 0 3 289.448 2.300 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000857234564 644865821 /nfs/dbraw/zinc/86/58/21/644865821.db2.gz SJCFZEWZBHJWIR-HNNXBMFYSA-N 0 3 286.375 2.089 20 30 CEEDHN C=CCOc1cccc(CNC2COC(C)(C)OC2)c1 ZINC000758044108 644875536 /nfs/dbraw/zinc/87/55/36/644875536.db2.gz CJXACXCBJRFLOL-UHFFFAOYSA-N 0 3 277.364 2.493 20 30 CEEDHN CCCCCCCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000858111806 645065148 /nfs/dbraw/zinc/06/51/48/645065148.db2.gz UAQPILZSSCYDKK-GJZGRUSLSA-N 0 3 297.443 2.119 20 30 CEEDHN CCCCCCCNC(=O)N[C@@H]1CCN(CC)C1 ZINC000858114422 645066246 /nfs/dbraw/zinc/06/62/46/645066246.db2.gz INGYCROZJCVGGI-CYBMUJFWSA-N 0 3 255.406 2.350 20 30 CEEDHN C#CC[C@H](COC)NCc1ccc(OC)c(OC2CC2)c1 ZINC000858335072 645122963 /nfs/dbraw/zinc/12/29/63/645122963.db2.gz VGPWEGANJXAXBE-CQSZACIVSA-N 0 3 289.375 2.364 20 30 CEEDHN N#CC(C(=O)c1cccc(C2OCCO2)c1)c1ccncn1 ZINC000760337584 645141201 /nfs/dbraw/zinc/14/12/01/645141201.db2.gz AOGVIOSOYCTKHY-ZDUSSCGKSA-N 0 3 295.298 2.012 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H](C/C=C\C)C1 ZINC000858493415 645180589 /nfs/dbraw/zinc/18/05/89/645180589.db2.gz UGZZNAZLEZKGSC-LEXSJLIMSA-N 0 3 291.439 2.329 20 30 CEEDHN C=C1CCN(C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000878087135 650994020 /nfs/dbraw/zinc/99/40/20/650994020.db2.gz HLSVUHUVRPFKSV-CVEARBPZSA-N 0 3 261.365 2.123 20 30 CEEDHN C#CCCOC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000859197099 645413528 /nfs/dbraw/zinc/41/35/28/645413528.db2.gz SRTIOCCZGLACNG-DLBZAZTESA-N 0 3 298.386 2.353 20 30 CEEDHN CC(=O)OC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000859204240 645417563 /nfs/dbraw/zinc/41/75/63/645417563.db2.gz FMXFPKBHYDNILO-UHFFFAOYSA-N 0 3 272.348 2.394 20 30 CEEDHN N=C(N)NN=C(CC(F)(F)F)c1ccc(Cl)cc1 ZINC000763353883 645536580 /nfs/dbraw/zinc/53/65/80/645536580.db2.gz JLLJLHMCVHTMDN-UHFFFAOYSA-N 0 3 278.665 2.480 20 30 CEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000860101116 645701025 /nfs/dbraw/zinc/70/10/25/645701025.db2.gz SHZBSHVNGLABMG-LBPRGKRZSA-N 0 3 272.389 2.034 20 30 CEEDHN CCCCCCCCC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000861711066 646252911 /nfs/dbraw/zinc/25/29/11/646252911.db2.gz SCXPDTPLTLPQIU-HZPDHXFCSA-N 0 3 296.455 2.405 20 30 CEEDHN C#Cc1cccc(N2C(=O)NC(CC(F)(F)F)C2=O)c1 ZINC000771838385 646557874 /nfs/dbraw/zinc/55/78/74/646557874.db2.gz BPCVSJRSOQOZHJ-JTQLQIEISA-N 0 3 282.221 2.045 20 30 CEEDHN Cc1cc(NN=Cc2nc3c(s2)CCC3)ccn1 ZINC000863159540 646658202 /nfs/dbraw/zinc/65/82/02/646658202.db2.gz VYYRTNWRXUOVEE-UHFFFAOYSA-N 0 3 258.350 2.203 20 30 CEEDHN C#CCNC(=O)CN[C@@H](CCCC)c1ccc(OC)cc1 ZINC000775355331 646945085 /nfs/dbraw/zinc/94/50/85/646945085.db2.gz JPTZNQRKNAPUTI-INIZCTEOSA-N 0 3 288.391 2.266 20 30 CEEDHN N#CC(C(=O)C[C@@H]1CCCCO1)C(=O)Nc1ccccc1 ZINC000120002604 646978608 /nfs/dbraw/zinc/97/86/08/646978608.db2.gz JNNYCNZKRNRLCT-UONOGXRCSA-N 0 3 286.331 2.293 20 30 CEEDHN CCCCCCCN1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000775987831 647014311 /nfs/dbraw/zinc/01/43/11/647014311.db2.gz MHKSUHOCFFGDQE-UHFFFAOYSA-N 0 3 279.432 2.201 20 30 CEEDHN CN(C)c1ccncc1C=NN1CCc2ccccc2C1=O ZINC000776187091 647033472 /nfs/dbraw/zinc/03/34/72/647033472.db2.gz HOFBILXBEAAEMU-UHFFFAOYSA-N 0 3 294.358 2.180 20 30 CEEDHN N#CCSCCCOC(=O)C1CCN(C2CC2)CC1 ZINC000805566701 647056325 /nfs/dbraw/zinc/05/63/25/647056325.db2.gz PLBXOWVWTVGMBC-UHFFFAOYSA-N 0 3 282.409 2.051 20 30 CEEDHN C=CCN1CCC(NC(=O)NOC2CCCCC2)CC1 ZINC000777540280 647146478 /nfs/dbraw/zinc/14/64/78/647146478.db2.gz HYWMLIIWDHWPOI-UHFFFAOYSA-N 0 3 281.400 2.200 20 30 CEEDHN CCCN(CCN(C)C)C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000865176778 647199075 /nfs/dbraw/zinc/19/90/75/647199075.db2.gz YSWMXJWYAQJBIH-UHFFFAOYSA-N 0 3 298.390 2.453 20 30 CEEDHN CN1CCC(NC(=S)Nc2cc(F)cc(C#N)c2)CC1 ZINC000865244391 647213946 /nfs/dbraw/zinc/21/39/46/647213946.db2.gz OPVOVMVZJNXBEX-UHFFFAOYSA-N 0 3 292.383 2.078 20 30 CEEDHN C=C[C@H](C)NCc1cc(OC)ccc1OCOC ZINC000120517741 647254479 /nfs/dbraw/zinc/25/44/79/647254479.db2.gz LUHVTAPSGROWJG-NSHDSACASA-N 0 3 251.326 2.342 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CNC[C@@H](O)c1ccco1 ZINC000865408625 647279608 /nfs/dbraw/zinc/27/96/08/647279608.db2.gz ACRSUNDQYLVOAU-OAHLLOKOSA-N 0 3 285.347 2.040 20 30 CEEDHN CC(=NN[C@H]1CCCOC1)c1ccccc1N(C)C ZINC000780259571 647406745 /nfs/dbraw/zinc/40/67/45/647406745.db2.gz ALPJVZPVDQNKGD-ZDUSSCGKSA-N 0 3 261.369 2.245 20 30 CEEDHN N#CCCN1CCN(C[C@H]2CCc3ccccc32)CC1 ZINC000780301558 647415175 /nfs/dbraw/zinc/41/51/75/647415175.db2.gz MLLPJCTWJGTEIB-MRXNPFEDSA-N 0 3 269.392 2.248 20 30 CEEDHN CCOC(=O)c1cc(CNC2CCC(C)(C#N)CC2)on1 ZINC000865763602 647455815 /nfs/dbraw/zinc/45/58/15/647455815.db2.gz KXSNIWCIMKOVDC-UHFFFAOYSA-N 0 3 291.351 2.413 20 30 CEEDHN CCn1cc(CC(=O)C(C#N)c2nc3ccccc3o2)cn1 ZINC000781450741 647527793 /nfs/dbraw/zinc/52/77/93/647527793.db2.gz GHNUYBTXQPSHDN-LBPRGKRZSA-N 0 3 294.314 2.463 20 30 CEEDHN CN(CCc1cccc(C#N)c1)c1ccnc(CO)c1 ZINC000866122718 647620376 /nfs/dbraw/zinc/62/03/76/647620376.db2.gz ANVPBNRLEWXSAE-UHFFFAOYSA-N 0 3 267.332 2.124 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1C[C@H]2C[C@@]2(CO)C1 ZINC000782632918 647647369 /nfs/dbraw/zinc/64/73/69/647647369.db2.gz MUEPEOZBFKCAQB-PBHICJAKSA-N 0 3 270.376 2.302 20 30 CEEDHN C#CCNC(=O)CN[C@H](CC(C)C)c1ccccc1 ZINC000782846890 647659510 /nfs/dbraw/zinc/65/95/10/647659510.db2.gz VTDSQMXAQKEKAC-OAHLLOKOSA-N 0 3 258.365 2.113 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCC(=O)[C@H](C)C1 ZINC000783347997 647709667 /nfs/dbraw/zinc/70/96/67/647709667.db2.gz VCTYAUZFYYLNJD-FRRDWIJNSA-N 0 3 292.379 2.007 20 30 CEEDHN C[C@@H](CC#N)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000783938805 647779094 /nfs/dbraw/zinc/77/90/94/647779094.db2.gz YQXCJKBWUBKMQI-NWDGAFQWSA-N 0 3 267.373 2.135 20 30 CEEDHN C[C@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1cnccn1 ZINC000866615384 647842776 /nfs/dbraw/zinc/84/27/76/647842776.db2.gz PXTBNBVATQCVJD-NHYWBVRUSA-N 0 3 264.332 2.166 20 30 CEEDHN C=CCCOCC(=O)N1c2ccccc2[C@H](N)C1(C)C ZINC000867990334 648013123 /nfs/dbraw/zinc/01/31/23/648013123.db2.gz WGZUWANTRANAQE-HNNXBMFYSA-N 0 3 274.364 2.404 20 30 CEEDHN CCCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786570593 648027979 /nfs/dbraw/zinc/02/79/79/648027979.db2.gz OQINCEFSIOWTGF-JTQLQIEISA-N 0 3 280.274 2.090 20 30 CEEDHN C[C@@H](C#N)OCCN[C@H](CCO)c1ccc(Cl)cc1 ZINC000805821925 648055477 /nfs/dbraw/zinc/05/54/77/648055477.db2.gz MWSRJXRNWPDVAC-SMDDNHRTSA-N 0 3 282.771 2.282 20 30 CEEDHN C[C@@H](N[C@@H](C)CCC#N)c1cccc(NS(C)(=O)=O)c1 ZINC000787765393 648136932 /nfs/dbraw/zinc/13/69/32/648136932.db2.gz QUJVPKWCDJPMLL-NWDGAFQWSA-N 0 3 295.408 2.401 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000791067836 648479849 /nfs/dbraw/zinc/47/98/49/648479849.db2.gz XVMPYKWBEHUCCV-IRXDYDNUSA-N 0 3 299.418 2.362 20 30 CEEDHN C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872053370 649255811 /nfs/dbraw/zinc/25/58/11/649255811.db2.gz JFHXEAFXVIOQNM-WDEREUQCSA-N 0 3 253.317 2.367 20 30 CEEDHN CC1(O)CCC(NCc2cccc(F)c2C#N)CC1 ZINC000873069503 649550810 /nfs/dbraw/zinc/55/08/10/649550810.db2.gz HGTSBSSBDKXXDR-UHFFFAOYSA-N 0 3 262.328 2.481 20 30 CEEDHN Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)cc1C#N ZINC000874831026 649845189 /nfs/dbraw/zinc/84/51/89/649845189.db2.gz XBXDITOZPNZVKF-HOTGVXAUSA-N 0 3 283.375 2.175 20 30 CEEDHN C=CCN(C[C@@H]1CCC2(CCOCC2)CO1)[C@H](C)COC ZINC000878889686 651204619 /nfs/dbraw/zinc/20/46/19/651204619.db2.gz GDHGTBAKPFLJRG-CVEARBPZSA-N 0 3 297.439 2.485 20 30 CEEDHN C[C@H](C#N)OCCN1CCC(Nc2ccccc2C#N)CC1 ZINC000878962871 651219296 /nfs/dbraw/zinc/21/92/96/651219296.db2.gz OJGKDEKWXUDQQT-CQSZACIVSA-N 0 3 298.390 2.363 20 30 CEEDHN C#CCOCCN[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000879114534 651245506 /nfs/dbraw/zinc/24/55/06/651245506.db2.gz LDSKXYOXLAKKCO-AWEZNQCLSA-N 0 3 285.746 2.142 20 30 CEEDHN C=CC(C)(C)CC(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000879307791 651280633 /nfs/dbraw/zinc/28/06/33/651280633.db2.gz DFMJGXWANAHQIM-NWDGAFQWSA-N 0 3 270.442 2.093 20 30 CEEDHN N#Cc1cccc(NC(=O)CN2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000879529428 651317420 /nfs/dbraw/zinc/31/74/20/651317420.db2.gz NGCXORUVJVLBAX-GASCZTMLSA-N 0 3 281.359 2.395 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585981 651327804 /nfs/dbraw/zinc/32/78/04/651327804.db2.gz UHAZAADXEAJLIQ-QGZVFWFLSA-N 0 3 285.391 2.007 20 30 CEEDHN Cc1cncc([C@@H]2CCCN2CCO[C@@H](C)C#N)c1 ZINC000879752972 651347531 /nfs/dbraw/zinc/34/75/31/651347531.db2.gz YLJCVVFGYQURIZ-ZFWWWQNUSA-N 0 3 259.353 2.456 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](CF)C1 ZINC000880234059 651405155 /nfs/dbraw/zinc/40/51/55/651405155.db2.gz HEUYCKXDQFKTLF-ZIAGYGMSSA-N 0 3 270.392 2.481 20 30 CEEDHN C#CCC1(O)CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000880481424 651448100 /nfs/dbraw/zinc/44/81/00/651448100.db2.gz SMVFVCFMSGWSTG-OAHLLOKOSA-N 0 3 293.794 2.224 20 30 CEEDHN N#Cc1cccc(NC(=O)CN[C@@H]2CCC[C@]23CCCO3)c1 ZINC000880509149 651452595 /nfs/dbraw/zinc/45/25/95/651452595.db2.gz RKBOZFLHUCMMIA-WBVHZDCISA-N 0 3 299.374 2.188 20 30 CEEDHN C#CC[C@H](COC)NCc1cccc(Cl)c1N ZINC000883192475 652395587 /nfs/dbraw/zinc/39/55/87/652395587.db2.gz ZWZVMTQUBDHSHF-LLVKDONJSA-N 0 3 252.745 2.050 20 30 CEEDHN COC[C@H](NCC1(C#N)CCCCC1)[C@@H]1CCCOC1 ZINC000883235444 652409890 /nfs/dbraw/zinc/40/98/90/652409890.db2.gz CIJSFBFHMXARAV-CABCVRRESA-N 0 3 280.412 2.492 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cnn(-c2ccccc2)c1 ZINC000883401460 652457291 /nfs/dbraw/zinc/45/72/91/652457291.db2.gz NLOKMVOPXVPYMR-HNNXBMFYSA-N 0 3 271.364 2.289 20 30 CEEDHN CC(C)CN(CC(C)C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884042975 652653072 /nfs/dbraw/zinc/65/30/72/652653072.db2.gz LQTJLWUIEYYKKJ-CKDBGZEDSA-N 0 3 291.439 2.266 20 30 CEEDHN C[C@@H](CNC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccccc1 ZINC000884056475 652671329 /nfs/dbraw/zinc/67/13/29/652671329.db2.gz ZGJSOMXVIXLRHR-VADGTKANSA-N 0 3 297.402 2.046 20 30 CEEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1cccc(F)c1F)C2 ZINC000884070052 652695110 /nfs/dbraw/zinc/69/51/10/652695110.db2.gz XUCZWQYDGHXBQV-KGXJWFGYSA-N 0 3 291.301 2.043 20 30 CEEDHN COc1cc(C)ccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884096876 652707387 /nfs/dbraw/zinc/70/73/87/652707387.db2.gz LRPHDYYERMVQRC-UIORMTCPSA-N 0 3 299.374 2.082 20 30 CEEDHN CC(=NN[C@H]1CCCOC1)c1c(C)cc(N)cc1C ZINC000884452073 652857764 /nfs/dbraw/zinc/85/77/64/652857764.db2.gz ICJVQUJOPUVAIV-AWEZNQCLSA-N 0 3 261.369 2.378 20 30 CEEDHN Cc1sccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884462246 652861303 /nfs/dbraw/zinc/86/13/03/652861303.db2.gz YXBHWHWPCAYEIT-IQLKVPPVSA-N 0 3 275.377 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C=CCN1CC[C@H](NC(=O)c2cc(C)cn3ccnc23)[C@H]1C ZINC001088768490 806711961 /nfs/dbraw/zinc/71/19/61/806711961.db2.gz VRRYKQPCCHZZMV-HIFRSBDPSA-N 0 3 298.390 2.021 20 30 CEEDHN CC(C)(C)C#CC(=O)NCCNCc1cc(F)cc(F)c1 ZINC001126893736 806760409 /nfs/dbraw/zinc/76/04/09/806760409.db2.gz VLXNVVXOEGLWQJ-UHFFFAOYSA-N 0 3 294.345 2.220 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3ccc(C)cc3)[C@@H]2C1 ZINC001076006010 806768429 /nfs/dbraw/zinc/76/84/29/806768429.db2.gz POVNOIPSKSNJTJ-DLBZAZTESA-N 0 3 284.403 2.256 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)C(C)C)[C@@H]2C1 ZINC001076316310 806836056 /nfs/dbraw/zinc/83/60/56/806836056.db2.gz KCRWXXNUTMCHFV-QLFBSQMISA-N 0 3 264.413 2.387 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)CC[C@@H]3CCCCO3)[C@@H]2C1 ZINC001076311322 806837483 /nfs/dbraw/zinc/83/74/83/806837483.db2.gz VHRQJOHLPCNHFI-HRCADAONSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)C(F)=C(C)C)[C@H](OC)C1 ZINC001212127736 806894564 /nfs/dbraw/zinc/89/45/64/806894564.db2.gz 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ZINC001121937253 815369371 /nfs/dbraw/zinc/36/93/71/815369371.db2.gz PVPSCVFDBVRYQK-CQSZACIVSA-N 0 3 282.334 2.307 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H](C)C2CCC2)CC1 ZINC001016686659 810460952 /nfs/dbraw/zinc/46/09/52/810460952.db2.gz BKRUWYZKTTXYSI-GDBMZVCRSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](C)C2CCC2)CC1 ZINC001016686578 810461151 /nfs/dbraw/zinc/46/11/51/810461151.db2.gz ATAWBCAOUZGARC-ZFWWWQNUSA-N 0 3 274.408 2.027 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H](C)C2CCC2)CC1 ZINC001016686661 810463288 /nfs/dbraw/zinc/46/32/88/810463288.db2.gz BKRUWYZKTTXYSI-GOEBONIOSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C(C2CC2)C2CC2)CC1 ZINC001016918838 810476477 /nfs/dbraw/zinc/47/64/77/810476477.db2.gz IGHGPDNJYBRJKZ-OAHLLOKOSA-N 0 3 286.419 2.027 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccccc3CC)[C@@H]2C1 ZINC001084617280 810487630 /nfs/dbraw/zinc/48/76/30/810487630.db2.gz UJZGDRHXGNDOIX-SJLPKXTDSA-N 0 3 296.414 2.419 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001084635245 810491191 /nfs/dbraw/zinc/49/11/91/810491191.db2.gz SUGBPWUYSUPLTO-IIAWOOMASA-N 0 3 282.403 2.481 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(C)cc3)[C@@H]2C1 ZINC001084792967 810520582 /nfs/dbraw/zinc/52/05/82/810520582.db2.gz DYMKCPYDFPRTNO-IAGOWNOFSA-N 0 3 282.387 2.165 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccoc1 ZINC001017500742 810527803 /nfs/dbraw/zinc/52/78/03/810527803.db2.gz GNSMZIOAWYUTEJ-GASCZTMLSA-N 0 3 274.364 2.073 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1 ZINC001017672388 810541878 /nfs/dbraw/zinc/54/18/78/810541878.db2.gz KRUKYRDBBMZIBL-CALCHBBNSA-N 0 3 284.403 2.480 20 30 CEEDHN CC#CCNCCN(CC)C(=O)CC1CCCC1 ZINC001273249280 810560119 /nfs/dbraw/zinc/56/01/19/810560119.db2.gz NLMDQDOEJOGGEU-UHFFFAOYSA-N 0 3 250.386 2.028 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001019426805 810708732 /nfs/dbraw/zinc/70/87/32/810708732.db2.gz QBZKIMZUDYOJBB-CAOSSQGBSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC001019737008 810735130 /nfs/dbraw/zinc/73/51/30/810735130.db2.gz QUBVGMSQBDTADQ-KRWDZBQOSA-N 0 3 282.387 2.003 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1cccc(C#N)c1 ZINC001202799443 810739335 /nfs/dbraw/zinc/73/93/35/810739335.db2.gz QIQCVTAATQRZLA-HNNXBMFYSA-N 0 3 284.363 2.330 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N[C@H]1c2ccccc2OC[C@H]1F ZINC001122248647 815396141 /nfs/dbraw/zinc/39/61/41/815396141.db2.gz RPNRXKIANQGQIG-IPYPFGDCSA-N 0 3 292.354 2.258 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001020280995 810785370 /nfs/dbraw/zinc/78/53/70/810785370.db2.gz HHSWQZXMLUDQIA-RAIGVLPGSA-N 0 3 270.804 2.412 20 30 CEEDHN CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001172348391 815399305 /nfs/dbraw/zinc/39/93/05/815399305.db2.gz HYSNRHNTNUKVAT-AGIUHOORSA-N 0 3 274.405 2.090 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1CC(C)C1 ZINC001085537514 810815934 /nfs/dbraw/zinc/81/59/34/810815934.db2.gz APELLIFZJCLTBT-JXQTWKCFSA-N 0 3 250.386 2.141 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c(C)[nH]nc1Cl ZINC001038336756 810824624 /nfs/dbraw/zinc/82/46/24/810824624.db2.gz VFZGGSUEPFWBBI-NSHDSACASA-N 0 3 296.802 2.142 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)cn1 ZINC001085556823 810826393 /nfs/dbraw/zinc/82/63/93/810826393.db2.gz BJFGGRUDLLKVMC-CQSZACIVSA-N 0 3 291.370 2.333 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)sn1 ZINC001085566840 810830023 /nfs/dbraw/zinc/83/00/23/810830023.db2.gz SSLOZADUPIAUGJ-GFCCVEGCSA-N 0 3 279.409 2.174 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccncc1C ZINC001085589852 810846225 /nfs/dbraw/zinc/84/62/25/810846225.db2.gz WQBTZVNSMRZFBU-AWEZNQCLSA-N 0 3 273.380 2.112 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cncc2[nH]ccc21 ZINC001085697182 810879609 /nfs/dbraw/zinc/87/96/09/810879609.db2.gz DTEXRFMIOUNEQE-ZDUSSCGKSA-N 0 3 298.390 2.285 20 30 CEEDHN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(CCC)[nH]n1 ZINC001085754302 810899734 /nfs/dbraw/zinc/89/97/34/810899734.db2.gz DFSYACVESZDSJW-AWEZNQCLSA-N 0 3 290.411 2.085 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cocc1C ZINC001085766143 810905826 /nfs/dbraw/zinc/90/58/26/810905826.db2.gz BGQJGKZAVGEFIV-ZDUSSCGKSA-N 0 3 262.353 2.310 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ncccc1C ZINC001122380432 815407207 /nfs/dbraw/zinc/40/72/07/815407207.db2.gz MDPOUJNPPAHDFL-WDEREUQCSA-N 0 3 267.760 2.037 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cc(C)cc2c[nH]nc21 ZINC001038813127 810922601 /nfs/dbraw/zinc/92/26/01/810922601.db2.gz VGGJCTQDHKNPCT-CQSZACIVSA-N 0 3 298.390 2.252 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001038867930 810931771 /nfs/dbraw/zinc/93/17/71/810931771.db2.gz WRCSKGCWAUROQZ-ZDUSSCGKSA-N 0 3 288.395 2.057 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(N(C)C)cc1 ZINC001038955540 810956358 /nfs/dbraw/zinc/95/63/58/810956358.db2.gz BHFSGWNYKNYMSZ-INIZCTEOSA-N 0 3 287.407 2.133 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(OC)cc1 ZINC001085941634 810976929 /nfs/dbraw/zinc/97/69/29/810976929.db2.gz MIGQEGCSXZMWCH-HNNXBMFYSA-N 0 3 288.391 2.418 20 30 CEEDHN CN(CCOC(C)(C)C)C[C@@H](O)c1cccc(C#N)c1 ZINC000689926236 810990943 /nfs/dbraw/zinc/99/09/43/810990943.db2.gz AJKXXBDNWSRWIA-OAHLLOKOSA-N 0 3 276.380 2.339 20 30 CEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)/C(C)=C/C)C1 ZINC001039202622 810999585 /nfs/dbraw/zinc/99/95/85/810999585.db2.gz JULKQGRESXVJIE-YLGAGNJQSA-N 0 3 274.408 2.289 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)OC ZINC001039336597 811010101 /nfs/dbraw/zinc/01/01/01/811010101.db2.gz JMCFTJNIGUNSAX-ILXRZTDVSA-N 0 3 280.412 2.053 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(C)c1 ZINC001039350315 811013645 /nfs/dbraw/zinc/01/36/45/811013645.db2.gz DSZZKHZCVBIOMA-SJORKVTESA-N 0 3 297.402 2.092 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C)c1 ZINC001039363847 811017336 /nfs/dbraw/zinc/01/73/36/811017336.db2.gz ZBVOEYKPDJNGHI-CVEARBPZSA-N 0 3 286.375 2.290 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCC1 ZINC001039357169 811017908 /nfs/dbraw/zinc/01/79/08/811017908.db2.gz PIHMTSYFHFXWSK-CVEARBPZSA-N 0 3 272.392 2.185 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2CC(F)(F)C2)C1 ZINC001086057194 811019032 /nfs/dbraw/zinc/01/90/32/811019032.db2.gz AYJBBOBXWATASK-JGZJWPJOSA-N 0 3 292.757 2.269 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC=CC1 ZINC001039428994 811028736 /nfs/dbraw/zinc/02/87/36/811028736.db2.gz IUXICTCAIPRUGI-CVEARBPZSA-N 0 3 286.419 2.431 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)(F)F ZINC001039437256 811030567 /nfs/dbraw/zinc/03/05/67/811030567.db2.gz YJKVPIXJYBTZKU-MCIONIFRSA-N 0 3 298.377 2.366 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H](C)C3CCC3)C2)C1 ZINC001040262275 811100856 /nfs/dbraw/zinc/10/08/56/811100856.db2.gz RGWMODLSSAWLKR-YJBOKZPZSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@]34C[C@H]3CCC4)C2)C1 ZINC001040301983 811102238 /nfs/dbraw/zinc/10/22/38/811102238.db2.gz FEJBVHQFWIIFIT-BPQIPLTHSA-N 0 3 286.419 2.124 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@H](C)C(C)(F)F)C2)C1 ZINC001040399500 811110855 /nfs/dbraw/zinc/11/08/55/811110855.db2.gz PNMAXZGUTUXYFB-BBRMVZONSA-N 0 3 298.377 2.225 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC001040507509 811114799 /nfs/dbraw/zinc/11/47/99/811114799.db2.gz SYALYIZLAHRGHP-KRWDZBQOSA-N 0 3 276.424 2.370 20 30 CEEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H](C)CC)C2)CC1 ZINC001040616229 811120507 /nfs/dbraw/zinc/12/05/07/811120507.db2.gz XCJMBDOEKRBNAD-HNNXBMFYSA-N 0 3 276.424 2.370 20 30 CEEDHN CC#CCN1CCC2(CCN(C(=O)[C@H](C)C3CC3)C2)CC1 ZINC001040658754 811122443 /nfs/dbraw/zinc/12/24/43/811122443.db2.gz PJHWQDLICZLMGI-OAHLLOKOSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)[C@@H](CC)SC)C2)CC1 ZINC001040672061 811122604 /nfs/dbraw/zinc/12/26/04/811122604.db2.gz RJVUPVZUUBSVHP-CQSZACIVSA-N 0 3 294.464 2.076 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)C3(C4CC4)CC3)C2)CC1 ZINC001040739938 811124246 /nfs/dbraw/zinc/12/42/46/811124246.db2.gz BXJXHHZCZATCCW-UHFFFAOYSA-N 0 3 286.419 2.124 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)C(C)(C)C3CC3)C2)CC1 ZINC001040812399 811125713 /nfs/dbraw/zinc/12/57/13/811125713.db2.gz CZDDMGPWDJXBEE-UHFFFAOYSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CCC2(CCN(C(=O)C[C@@H]3C[C@H]3C)C2)CC1 ZINC001040832776 811125914 /nfs/dbraw/zinc/12/59/14/811125914.db2.gz MSRZUWSPDVZORQ-CVEARBPZSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC001041027569 811137578 /nfs/dbraw/zinc/13/75/78/811137578.db2.gz NUUJCFLPTLRLRH-SFHVURJKSA-N 0 3 282.387 2.248 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3cc(C)oc3C)C2)C1 ZINC001041057273 811139889 /nfs/dbraw/zinc/13/98/89/811139889.db2.gz NNSSYRBBPWVTDU-QGZVFWFLSA-N 0 3 286.375 2.068 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)CC3CCC3)C2)C1 ZINC001041172553 811148310 /nfs/dbraw/zinc/14/83/10/811148310.db2.gz GHQYTWIQMSHJFR-KRWDZBQOSA-N 0 3 274.408 2.124 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H](F)C2)C1 ZINC001086458174 811149525 /nfs/dbraw/zinc/14/95/25/811149525.db2.gz GOVDHNKDFAIATF-FDYHWXHSSA-N 0 3 288.794 2.362 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)C[C@H]3C=CCCC3)C2)C1 ZINC001041398449 811165126 /nfs/dbraw/zinc/16/51/26/811165126.db2.gz IZPNXCHJLMMNCF-FUHWJXTLSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)C1 ZINC001041464021 811167353 /nfs/dbraw/zinc/16/73/53/811167353.db2.gz NSNMBKRUEGKGIG-RKVPGOIHSA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)Cc3cccc(C)c3)C2)C1 ZINC001041621530 811179019 /nfs/dbraw/zinc/17/90/19/811179019.db2.gz CJAMUGJPLMXVCJ-LJQANCHMSA-N 0 3 296.414 2.095 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3ccccc3CC)C2)C1 ZINC001041611559 811179161 /nfs/dbraw/zinc/17/91/61/811179161.db2.gz WLQSVDCXXSAYMG-IBGZPJMESA-N 0 3 296.414 2.420 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@]34C[C@@H]3CCCC4)C2)C1 ZINC001041652826 811184317 /nfs/dbraw/zinc/18/43/17/811184317.db2.gz MWDQDHNBXXBLNB-SZMVWBNQSA-N 0 3 286.419 2.124 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3ccc(C)cc3)C2)C1 ZINC001041804293 811194521 /nfs/dbraw/zinc/19/45/21/811194521.db2.gz VBZJWCXKQFYAPS-GOSISDBHSA-N 0 3 282.387 2.166 20 30 CEEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1CC2CCC1CC2 ZINC001122608894 815430601 /nfs/dbraw/zinc/43/06/01/815430601.db2.gz FNDKGEXWHSBOIQ-TUUUFIMRSA-N 0 3 257.337 2.423 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C)cc(C)n3)C[C@@H]21 ZINC001042124569 811247128 /nfs/dbraw/zinc/24/71/28/811247128.db2.gz IDSMEKAXPGZTKU-RDJZCZTQSA-N 0 3 299.418 2.421 20 30 CEEDHN C#CCN1CC[C@H]2CCN(C(=O)CCc3ccccc3)C[C@@H]21 ZINC001042325254 811268294 /nfs/dbraw/zinc/26/82/94/811268294.db2.gz AQEGPDGKVRGWLF-ROUUACIJSA-N 0 3 296.414 2.175 20 30 CEEDHN Cc1c(Cl)cnc(-n2ccc([C@H](C)N)n2)c1C#N ZINC001169229189 811442416 /nfs/dbraw/zinc/44/24/16/811442416.db2.gz GFZYJQGMRQSQLV-QMMMGPOBSA-N 0 3 261.716 2.121 20 30 CEEDHN C[C@H](N)c1ccn(-c2cc(C#N)cc3[nH]ccc32)n1 ZINC001169235018 811449457 /nfs/dbraw/zinc/44/94/57/811449457.db2.gz NVVYLXLQBRAECJ-VIFPVBQESA-N 0 3 251.293 2.245 20 30 CEEDHN C[C@@H](N)c1ccn(-c2cccc3[nH]cc(CC#N)c32)n1 ZINC001169234057 811449752 /nfs/dbraw/zinc/44/97/52/811449752.db2.gz FIORBBLXXSIXCZ-SNVBAGLBSA-N 0 3 265.320 2.439 20 30 CEEDHN CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1[O-] ZINC001169248054 811461967 /nfs/dbraw/zinc/46/19/67/811461967.db2.gz PEDZOHYFIQTIRT-AWEZNQCLSA-N 0 3 288.391 2.294 20 30 CEEDHN C[C@@H](C#N)C(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001044962258 811563640 /nfs/dbraw/zinc/56/36/40/811563640.db2.gz HSNFWIXQGINGNP-JSGCOSHPSA-N 0 3 289.354 2.066 20 30 CEEDHN C#C[C@@](C)(CC)NC[C@H](O)c1ccc(F)cc1F ZINC000384224605 811572194 /nfs/dbraw/zinc/57/21/94/811572194.db2.gz UQGBSZDARKULHP-KBPBESRZSA-N 0 3 253.292 2.390 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)C2C=CC=CC=C2)CC1 ZINC001045450515 811612378 /nfs/dbraw/zinc/61/23/78/811612378.db2.gz BGKUORNIENEQLM-UHFFFAOYSA-N 0 3 284.403 2.279 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)c2[nH]c(C)cc2C)CC1 ZINC001045477258 811616243 /nfs/dbraw/zinc/61/62/43/811616243.db2.gz AGCPMHSCIXPAHH-UHFFFAOYSA-N 0 3 287.407 2.239 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001045486828 811618198 /nfs/dbraw/zinc/61/81/98/811618198.db2.gz PNYWPXUBQQUGNQ-OAGGEKHMSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2CC[C@@H](F)C2)CC1 ZINC001045537906 811622034 /nfs/dbraw/zinc/62/20/34/811622034.db2.gz HJZPRLXAPZIMSW-CHWSQXEVSA-N 0 3 268.376 2.281 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C1=CCCC1)C2 ZINC001045928363 811666879 /nfs/dbraw/zinc/66/68/79/811666879.db2.gz SYJLNGQXZOVJKK-SFHVURJKSA-N 0 3 286.419 2.435 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2sccc2C)C1 ZINC001046104989 811684714 /nfs/dbraw/zinc/68/47/14/811684714.db2.gz WHTUNIOGSFJHRQ-HNNXBMFYSA-N 0 3 276.405 2.274 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)c2ccccc2C)C1 ZINC001046114564 811689361 /nfs/dbraw/zinc/68/93/61/811689361.db2.gz LALXWUDUNGXPOI-MRXNPFEDSA-N 0 3 258.365 2.375 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(CC)o2)C1 ZINC001046423913 811753852 /nfs/dbraw/zinc/75/38/52/811753852.db2.gz VNVVPXQKIWNLGQ-MRXNPFEDSA-N 0 3 274.364 2.060 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H]2CCCc3cccnc32)C1 ZINC001046565736 811775075 /nfs/dbraw/zinc/77/50/75/811775075.db2.gz SXNNIVAQAMUQLA-MAUKXSAKSA-N 0 3 299.418 2.268 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)C2CC3(CC3)C2)C1 ZINC001046610970 811786008 /nfs/dbraw/zinc/78/60/08/811786008.db2.gz TYSOAQSKUHIPIT-HNNXBMFYSA-N 0 3 262.397 2.333 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccn(C)c2CC)C1 ZINC001046619792 811787579 /nfs/dbraw/zinc/78/75/79/811787579.db2.gz BDNDJEMMWSJKHQ-KRWDZBQOSA-N 0 3 289.423 2.358 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCOC)C2 ZINC001109048660 811814870 /nfs/dbraw/zinc/81/48/70/811814870.db2.gz LDROFYGQKZRJPH-ILXRZTDVSA-N 0 3 280.412 2.101 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(CF)cc2)C1 ZINC001046863552 811831844 /nfs/dbraw/zinc/83/18/44/811831844.db2.gz BHFNRTMYKCDQHH-QGZVFWFLSA-N 0 3 288.366 2.374 20 30 CEEDHN C#CCCN1CCC(F)(F)[C@H](CNC(=O)C2CC=CC2)C1 ZINC001046924019 811838256 /nfs/dbraw/zinc/83/82/56/811838256.db2.gz BMANBQNHFSYOJS-CQSZACIVSA-N 0 3 296.361 2.049 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(C)C)C2 ZINC001109336987 811860746 /nfs/dbraw/zinc/86/07/46/811860746.db2.gz SMUOEIVEXVHZGL-ILXRZTDVSA-N 0 3 276.424 2.413 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OC)o1)C2 ZINC001096229166 811889730 /nfs/dbraw/zinc/88/97/30/811889730.db2.gz IDYIAFZWCWGRGG-AGIUHOORSA-N 0 3 290.363 2.199 20 30 CEEDHN C[C@H](NCc1ccccc1C#N)[C@H]1CCN(C(=O)C2CC2)C1 ZINC001047672685 811893257 /nfs/dbraw/zinc/89/32/57/811893257.db2.gz QLNPGSQTDSUIPM-GUYCJALGSA-N 0 3 297.402 2.295 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC ZINC001109634428 811919118 /nfs/dbraw/zinc/91/91/18/811919118.db2.gz MJEFPPDFRYFRSP-MQYQWHSLSA-N 0 3 250.386 2.330 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC)CCC1 ZINC001109680396 811926499 /nfs/dbraw/zinc/92/64/99/811926499.db2.gz GXRGXFBSNAKYIO-RDBSUJKOSA-N 0 3 262.397 2.474 20 30 CEEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oncc1C)C2 ZINC001096273868 811926647 /nfs/dbraw/zinc/92/66/47/811926647.db2.gz LZFKECZYSCLIID-RDBSUJKOSA-N 0 3 289.379 2.284 20 30 CEEDHN C=C(Br)CNCCCNC(=O)C[C@H](C)CC ZINC001157141121 812016295 /nfs/dbraw/zinc/01/62/95/812016295.db2.gz PBFBBAIFJZTVDK-SNVBAGLBSA-N 0 3 291.233 2.427 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@H]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001048837491 812032103 /nfs/dbraw/zinc/03/21/03/812032103.db2.gz OAGNPNPIADGMCR-VVLHAWIVSA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H]3CCCC[C@@H]3CC)C[C@@H]2C1 ZINC001049141548 812077351 /nfs/dbraw/zinc/07/73/51/812077351.db2.gz SNHTYYQWUHCGHT-NXOAAHMSSA-N 0 3 288.435 2.226 20 30 CEEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CC1(C)C ZINC001123337282 815504736 /nfs/dbraw/zinc/50/47/36/815504736.db2.gz PNIPDMCVGWGDEI-HTQZYQBOSA-N 0 3 251.717 2.296 20 30 CEEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(C)=O)C1 ZINC001086569323 812138016 /nfs/dbraw/zinc/13/80/16/812138016.db2.gz 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/nfs/dbraw/zinc/21/50/39/812215039.db2.gz JQWGRVKCUZPGLM-KBPBESRZSA-N 0 3 289.379 2.238 20 30 CEEDHN CCCCCCC[C@@H](C)C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157538452 812229354 /nfs/dbraw/zinc/22/93/54/812229354.db2.gz MAKKJCPWHCZZPP-UPJWGTAASA-N 0 3 258.381 2.491 20 30 CEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)/C=C/c3ccco3)[C@@H]2C1 ZINC001049957046 812241500 /nfs/dbraw/zinc/24/15/00/812241500.db2.gz MGAOZRSHEXDKCD-IVAPMYIESA-N 0 3 298.386 2.239 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)CC[C@H]3CCCO3)[C@@H]2C1 ZINC001049981205 812246498 /nfs/dbraw/zinc/24/64/98/812246498.db2.gz WVEVNXUQMZYMCG-ARFHVFGLSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@@H](C)COC)CC1 ZINC001113484849 812256188 /nfs/dbraw/zinc/25/61/88/812256188.db2.gz ULPVTEOIWRXUHP-CABCVRRESA-N 0 3 282.428 2.158 20 30 CEEDHN C#CCCN1C[C@@H]2CCCN(C(=O)C3(F)CCCC3)[C@@H]2C1 ZINC001050081489 812258137 /nfs/dbraw/zinc/25/81/37/812258137.db2.gz ZVYNBTMLVUZPSV-LSDHHAIUSA-N 0 3 292.398 2.215 20 30 CEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H](C)C(C)C)[C@@H]2C1 ZINC001050152853 812268749 /nfs/dbraw/zinc/26/87/49/812268749.db2.gz HWYLHGWRQXHQJH-HRCADAONSA-N 0 3 276.424 2.225 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC1(C)C)C2 ZINC001096968710 812300336 /nfs/dbraw/zinc/30/03/36/812300336.db2.gz RJFLDZPEWKBOHD-SYQHCUMBSA-N 0 3 262.397 2.330 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)n1cccc1)C2 ZINC001096958958 812300894 /nfs/dbraw/zinc/30/08/94/812300894.db2.gz IGKVCXFZUQZVPW-JJXSEGSLSA-N 0 3 287.407 2.347 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC(CC1)C3)C2 ZINC001097345724 812356684 /nfs/dbraw/zinc/35/66/84/812356684.db2.gz SVMAVZQCRYVDJX-YLADIXGZSA-N 0 3 286.419 2.312 20 30 CEEDHN CN1CC(CNc2ccc3c(ccnc3C#N)c2)C1 ZINC001170258776 812364867 /nfs/dbraw/zinc/36/48/67/812364867.db2.gz NLAYZUMRTMCTJJ-UHFFFAOYSA-N 0 3 252.321 2.080 20 30 CEEDHN C#CCN1CCN([C@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172840243 815526070 /nfs/dbraw/zinc/52/60/70/815526070.db2.gz AOJHBOIIMGSWHR-SFHVURJKSA-N 0 3 268.404 2.103 20 30 CEEDHN COC(=O)C1CN(C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170379267 812403787 /nfs/dbraw/zinc/40/37/87/812403787.db2.gz VBLXSDYBDASXIZ-UHFFFAOYSA-N 0 3 298.386 2.495 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H]2Cc3ccccc32)CC1 ZINC001052671583 812444873 /nfs/dbraw/zinc/44/48/73/812444873.db2.gz OLVHVHZLARHUBW-SJLPKXTDSA-N 0 3 296.414 2.320 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2occc2Cl)CC1 ZINC001052680886 812446349 /nfs/dbraw/zinc/44/63/49/812446349.db2.gz XERSIERNHMCQRU-LLVKDONJSA-N 0 3 280.755 2.151 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H](C)c2ccsc2)CC1 ZINC001052701300 812450674 /nfs/dbraw/zinc/45/06/74/812450674.db2.gz CIBMGPFMXJYQKE-DZGCQCFKSA-N 0 3 290.432 2.456 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H]2CC23CCCC3)CC1 ZINC001052839262 812466841 /nfs/dbraw/zinc/46/68/41/812466841.db2.gz GDYVCSKQJMXCBZ-GJZGRUSLSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)C2CCC=CCC2)CC1 ZINC001052942293 812478311 /nfs/dbraw/zinc/47/83/11/812478311.db2.gz BITQMCFZIXJHPT-MRXNPFEDSA-N 0 3 274.408 2.337 20 30 CEEDHN CC(C)(C)OC(=O)N1CC(C)(N[C@H]2CC[C@H](C#N)C2)C1 ZINC001254635475 812495866 /nfs/dbraw/zinc/49/58/66/812495866.db2.gz QMQHUXKMPFWDTJ-RYUDHWBXSA-N 0 3 279.384 2.278 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC13CC3)C2 ZINC001097920324 812520202 /nfs/dbraw/zinc/52/02/02/812520202.db2.gz OZTVNKXNCDAAEW-RQJABVFESA-N 0 3 260.381 2.084 20 30 CEEDHN CC#CCNCCNC(=O)c1cccc2c1CCCCC2 ZINC001129999455 812524389 /nfs/dbraw/zinc/52/43/89/812524389.db2.gz DBCPUNFVDDUWER-UHFFFAOYSA-N 0 3 284.403 2.298 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cocc1C)C2 ZINC001054178881 812546515 /nfs/dbraw/zinc/54/65/15/812546515.db2.gz MCXQEAYYOUSOQR-KRWDZBQOSA-N 0 3 286.375 2.149 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C1(C)CC(=C)C1)C2 ZINC001054193874 812547955 /nfs/dbraw/zinc/54/79/55/812547955.db2.gz HQBOCJSBJBHNSA-SFHVURJKSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C1CC3(CC3)C1)C2 ZINC001054195334 812548360 /nfs/dbraw/zinc/54/83/60/812548360.db2.gz JOKHJAFZGLVSOF-GOSISDBHSA-N 0 3 286.419 2.124 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C1(C)CC=CC1)C2 ZINC001054190002 812548397 /nfs/dbraw/zinc/54/83/97/812548397.db2.gz ZCVUGZPSJCVVGU-GOSISDBHSA-N 0 3 286.419 2.290 20 30 CEEDHN Cc1c(CN2CCC3SC(=O)C=C3C2)nc2ccccn12 ZINC001137269569 812563158 /nfs/dbraw/zinc/56/31/58/812563158.db2.gz SANADCNMSKYBPB-CQSZACIVSA-N 0 3 299.399 2.417 20 30 CEEDHN CC(F)(F)CCC(=O)NCCNCc1ccc(C#N)cc1 ZINC001130391460 812564985 /nfs/dbraw/zinc/56/49/85/812564985.db2.gz CSRFCVXRGOGNPM-UHFFFAOYSA-N 0 3 295.333 2.199 20 30 CEEDHN CC#CCNCCNC(=O)Cc1cccc(C(C)C)c1 ZINC001130827756 812610162 /nfs/dbraw/zinc/61/01/62/812610162.db2.gz UOJBOECOPHMSDC-UHFFFAOYSA-N 0 3 272.392 2.082 20 30 CEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCCF)C1 ZINC001054683045 812639456 /nfs/dbraw/zinc/63/94/56/812639456.db2.gz ZGURKHOSRKZTNF-MWLCHTKSSA-N 0 3 276.783 2.171 20 30 CEEDHN CO[C@@H]1CCC[C@H](NC(=N)c2ccc(Cl)cn2)C1 ZINC001172916712 815544701 /nfs/dbraw/zinc/54/47/01/815544701.db2.gz BMHIOPFDXRMNMR-WDEREUQCSA-N 0 3 267.760 2.398 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H]1CCc2c1cccc2Cl ZINC001131408759 812668001 /nfs/dbraw/zinc/66/80/01/812668001.db2.gz WJUNMWJBKWPHKK-CQSZACIVSA-N 0 3 290.794 2.099 20 30 CEEDHN C[C@@H](N)c1ccn(C(F)(F)c2ccc(Cl)nc2C#N)n1 ZINC001158349658 812669311 /nfs/dbraw/zinc/66/93/11/812669311.db2.gz VBFHZRNYLBRTNS-SSDOTTSWSA-N 0 3 297.696 2.420 20 30 CEEDHN C[C@@H](N)c1ccn(C(F)(F)c2nc(Cl)ccc2C#N)n1 ZINC001158349298 812669474 /nfs/dbraw/zinc/66/94/74/812669474.db2.gz ABNAQVPWYKHIKQ-SSDOTTSWSA-N 0 3 297.696 2.420 20 30 CEEDHN C=CCCC(=O)N[C@@H]1CC[C@@H](C)N(CCOC2CCC2)C1 ZINC001131895305 812753586 /nfs/dbraw/zinc/75/35/86/812753586.db2.gz IKJHDCRHRUQOIF-HUUCEWRRSA-N 0 3 294.439 2.491 20 30 CEEDHN C=CCOCCCC(=O)N[C@H]1CC[C@H](C)N(CC=C)C1 ZINC001131938212 812758456 /nfs/dbraw/zinc/75/84/56/812758456.db2.gz FPFXPKZJNCFKOC-GJZGRUSLSA-N 0 3 280.412 2.124 20 30 CEEDHN C=CCOCCN1C[C@H](NC(=O)/C=C/C2CC2)CC[C@@H]1C ZINC001131943429 812760597 /nfs/dbraw/zinc/76/05/97/812760597.db2.gz PGTIJGPNUSDRFN-RXQWTSATSA-N 0 3 292.423 2.124 20 30 CEEDHN C=CCn1cccc1C(=O)N1CCC[C@H]2CN(CC=C)C[C@H]21 ZINC001050063378 812777299 /nfs/dbraw/zinc/77/72/99/812777299.db2.gz JDEYIMNRYPCILD-DOTOQJQBSA-N 0 3 299.418 2.397 20 30 CEEDHN CCOCCN1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132037589 812777749 /nfs/dbraw/zinc/77/77/49/812777749.db2.gz FBYIPZQJCJPZHK-HUUCEWRRSA-N 0 3 294.439 2.042 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132037900 812777926 /nfs/dbraw/zinc/77/79/26/812777926.db2.gz KPZPDXOBPDKFDI-GJZGRUSLSA-N 0 3 274.408 2.028 20 30 CEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)C[C@H](C)C3CC3)[C@@H]2C1 ZINC001050210672 812794195 /nfs/dbraw/zinc/79/41/95/812794195.db2.gz YYOHPWSPQWJKCB-BHYGNILZSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3ccc(C)nc3C)[C@@H]2C1 ZINC001050209059 812794325 /nfs/dbraw/zinc/79/43/25/812794325.db2.gz 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/nfs/dbraw/zinc/86/06/87/812860687.db2.gz GKPWZDSUUWKXII-CABCVRRESA-N 0 3 294.439 2.348 20 30 CEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1scnc1C ZINC001132568734 812892361 /nfs/dbraw/zinc/89/23/61/812892361.db2.gz CWVIDCCZGBGWSP-WDEREUQCSA-N 0 3 281.425 2.116 20 30 CEEDHN CC(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC001052125079 812924929 /nfs/dbraw/zinc/92/49/29/812924929.db2.gz LEOVCMRXIAMSMT-MRXNPFEDSA-N 0 3 271.364 2.049 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2cc(C)cs2)CC1 ZINC001052366564 812982521 /nfs/dbraw/zinc/98/25/21/812982521.db2.gz ZVYYZSCUSXCOAI-ZDUSSCGKSA-N 0 3 276.405 2.274 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H]2CCC2(F)F)CC1 ZINC001052479531 812996100 /nfs/dbraw/zinc/99/61/00/812996100.db2.gz COBYIINGMDBVIL-STQMWFEESA-N 0 3 284.350 2.026 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001052640281 813018971 /nfs/dbraw/zinc/01/89/71/813018971.db2.gz GHSZLKVRWSFPMG-GJZGRUSLSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc[nH]c2C2CC2)CC1 ZINC001052663807 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C#CCCN1C[C@H](NC(=O)c2ccsc2)CC[C@H]1C ZINC001071334643 813368290 /nfs/dbraw/zinc/36/82/90/813368290.db2.gz JLMQWSHKNLHCCB-TZMCWYRMSA-N 0 3 276.405 2.354 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001135121713 813369952 /nfs/dbraw/zinc/36/99/52/813369952.db2.gz WPLNMHWLGDURDG-LSDHHAIUSA-N 0 3 290.794 2.173 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccnc(F)c2)CC[C@H]1C ZINC001071380644 813385316 /nfs/dbraw/zinc/38/53/16/813385316.db2.gz BBXPXDQRRRXUPA-OCCSQVGLSA-N 0 3 291.370 2.380 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2[nH]ccc2C)CC[C@H]1C ZINC001071474740 813416656 /nfs/dbraw/zinc/41/66/56/813416656.db2.gz ULHVGJSSHFQDOF-KGLIPLIRSA-N 0 3 275.396 2.482 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2[nH]ccc2C)CC[C@H]1C ZINC001071474742 813417424 /nfs/dbraw/zinc/41/74/24/813417424.db2.gz ULHVGJSSHFQDOF-ZIAGYGMSSA-N 0 3 275.396 2.482 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2ccncc2CC)CC[C@H]1C ZINC001071622902 813453790 /nfs/dbraw/zinc/45/37/90/813453790.db2.gz OKCOWFCRBDDGCI-GDBMZVCRSA-N 0 3 299.418 2.250 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2csc(=O)[nH]2)CC[C@H]1C ZINC001071752951 813474542 /nfs/dbraw/zinc/47/45/42/813474542.db2.gz MEODBIPMCQSBAS-GHMZBOCLSA-N 0 3 295.408 2.008 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cscn2)CC[C@H]1C ZINC001071875551 813503034 /nfs/dbraw/zinc/50/30/34/813503034.db2.gz DEXUZAABZGPSMP-CHWSQXEVSA-N 0 3 293.436 2.231 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2c(C)n[nH]c2C)CC[C@H]1C ZINC001071901891 813511260 /nfs/dbraw/zinc/51/12/60/813511260.db2.gz YPGNYRMZHLFMSX-BXUZGUMPSA-N 0 3 290.411 2.185 20 30 CEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001086777775 813524715 /nfs/dbraw/zinc/52/47/15/813524715.db2.gz HJVLAXTXHXRQSB-GWNIPJSYSA-N 0 3 270.804 2.269 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@@]3(C)CCC[C@@H]3C)C2)C1 ZINC001072958403 813701793 /nfs/dbraw/zinc/70/17/93/813701793.db2.gz AYHPXILVJHIURN-RDJZCZTQSA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3cccc(OC)c3)C2)C1 ZINC001073146258 813731151 /nfs/dbraw/zinc/73/11/51/813731151.db2.gz JGEZZTNWNVUBEV-UHFFFAOYSA-N 0 3 286.375 2.029 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3cc(F)cc(F)c3)C2)C1 ZINC001073408166 813750449 /nfs/dbraw/zinc/75/04/49/813750449.db2.gz DONHEHQWGHOLPI-UHFFFAOYSA-N 0 3 292.329 2.299 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)CC[C@H]3CC[C@@H](C)O3)C2)C1 ZINC001073449069 813752953 /nfs/dbraw/zinc/75/29/53/813752953.db2.gz LVOQQEJOTJJTJJ-HUUCEWRRSA-N 0 3 292.423 2.054 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccsc2)C1 ZINC001073528100 813759947 /nfs/dbraw/zinc/75/99/47/813759947.db2.gz BZDCTFFCXXYYSC-AWEZNQCLSA-N 0 3 294.420 2.145 20 30 CEEDHN N=C(Nc1cccc(CN)n1)c1ccc2ccccc2n1 ZINC001171047870 813767422 /nfs/dbraw/zinc/76/74/22/813767422.db2.gz IVYSDMPTZNGOST-UHFFFAOYSA-N 0 3 277.331 2.126 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC=CCC1)C2 ZINC001098424883 813923545 /nfs/dbraw/zinc/92/35/45/813923545.db2.gz KMYZYLVJVDGIRD-ZACQAIPSSA-N 0 3 286.419 2.478 20 30 CEEDHN C#CCCN1CC[C@@]2(C1)C[C@@H](NC(C)=O)c1ccccc1O2 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ZINC001144509244 814098843 /nfs/dbraw/zinc/09/88/43/814098843.db2.gz QDEMFCSCXMSAJI-UHFFFAOYSA-N 0 3 276.336 2.462 20 30 CEEDHN C#Cc1ccc(CN2CC[C@H](Oc3nccnc3C)C2)cc1 ZINC001144581026 814115231 /nfs/dbraw/zinc/11/52/31/814115231.db2.gz LEICGLWJBZKWER-KRWDZBQOSA-N 0 3 293.370 2.420 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)C(F)(F)F)C1 ZINC001100580265 814153125 /nfs/dbraw/zinc/15/31/25/814153125.db2.gz IDZUPCSVSYSAKA-XNWIYYODSA-N 0 3 298.736 2.422 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)N1CC[C@]12CCOC2 ZINC001171232586 814202380 /nfs/dbraw/zinc/20/23/80/814202380.db2.gz UGQBPHVTMRPKSF-CZUORRHYSA-N 0 3 256.349 2.354 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)N(C)Cc1ccncn1 ZINC001171231745 814203023 /nfs/dbraw/zinc/20/30/23/814203023.db2.gz MHLUSFPQORPTMV-CYBMUJFWSA-N 0 3 266.348 2.411 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)C(CC)CC)C[C@]2(C)C1 ZINC001101284295 814242779 /nfs/dbraw/zinc/24/27/79/814242779.db2.gz XKZWDVOBKYEHDT-LESCRADOSA-N 0 3 290.451 2.472 20 30 CEEDHN C#CCCN1CCCO[C@H](CNC(=O)C[C@@H](C)CCC)C1 ZINC001149405456 814250876 /nfs/dbraw/zinc/25/08/76/814250876.db2.gz CTFZMAUJNAEJND-JKSUJKDBSA-N 0 3 294.439 2.043 20 30 CEEDHN C=CCCC(=O)NC[C@@H]1CN(Cc2ocnc2C)C[C@H]1C ZINC001101805276 814316058 /nfs/dbraw/zinc/31/60/58/814316058.db2.gz KUTRTIASHCXKDJ-TZMCWYRMSA-N 0 3 291.395 2.133 20 30 CEEDHN C=CCCC(=O)N1CC2(C1)CCN(CCC(F)(F)F)C2 ZINC001147165514 814395454 /nfs/dbraw/zinc/39/54/54/814395454.db2.gz HXFYJBXDILXBMK-UHFFFAOYSA-N 0 3 290.329 2.439 20 30 CEEDHN C#CCNCCNC(=O)C[C@H](C)CCCCCC ZINC001147403266 814439623 /nfs/dbraw/zinc/43/96/23/814439623.db2.gz YFMIJROZZBLKTI-CQSZACIVSA-N 0 3 252.402 2.322 20 30 CEEDHN CC#CCNCCNC(=O)c1ccc(Cl)c2occc21 ZINC001147562695 814461225 /nfs/dbraw/zinc/46/12/25/814461225.db2.gz TVBWPYNQGBSCQE-UHFFFAOYSA-N 0 3 290.750 2.429 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@H](OCC)C(=C)C)C2)C1 ZINC001147647574 814474211 /nfs/dbraw/zinc/47/42/11/814474211.db2.gz WCFPIVJKNSLIBF-HNNXBMFYSA-N 0 3 292.423 2.078 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(C)cs3)C[C@]2(C)C1 ZINC001091650333 814489102 /nfs/dbraw/zinc/48/91/02/814489102.db2.gz BANVYCQCGHZQDW-CJNGLKHVSA-N 0 3 288.416 2.084 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)[C@@H](C)CC)C2)C1 ZINC001148499717 814576524 /nfs/dbraw/zinc/57/65/24/814576524.db2.gz BXEXZPSCCGXRIR-KBPBESRZSA-N 0 3 264.413 2.389 20 30 CEEDHN Cc1[nH]c(NC(=O)c2ccc(NC(=N)N)cc2)c(C#N)c1C ZINC001148641823 814593218 /nfs/dbraw/zinc/59/32/18/814593218.db2.gz YBWQHBFTZZLMCM-UHFFFAOYSA-N 0 3 296.334 2.061 20 30 CEEDHN N#Cc1cc(F)cc(-c2noc([C@@H]3CCCN3)n2)c1 ZINC001247498838 814675031 /nfs/dbraw/zinc/67/50/31/814675031.db2.gz UXEQAMLUOJOQPF-NSHDSACASA-N 0 3 258.256 2.172 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1ccccc1 ZINC001115272915 814689884 /nfs/dbraw/zinc/68/98/84/814689884.db2.gz AWDIPSGXYWMECQ-QMCVQRASSA-N 0 3 284.403 2.098 20 30 CEEDHN C=CCC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001092477028 814709414 /nfs/dbraw/zinc/70/94/14/814709414.db2.gz GMDJOUKGZOHCDR-ZIAGYGMSSA-N 0 3 288.391 2.266 20 30 CEEDHN C=CCC[N@H+]1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001092477028 814709419 /nfs/dbraw/zinc/70/94/19/814709419.db2.gz GMDJOUKGZOHCDR-ZIAGYGMSSA-N 0 3 288.391 2.266 20 30 CEEDHN C[C@@H](NCC[C@@H]1CCCS1(=O)=O)c1ccc(C#N)cc1 ZINC000714338302 814895273 /nfs/dbraw/zinc/89/52/73/814895273.db2.gz BHKKKINHAXRVHV-DOMZBBRYSA-N 0 3 292.404 2.176 20 30 CEEDHN CN(C)C1CN(Cc2ccc(C#N)cc2Br)C1 ZINC001137632503 815658793 /nfs/dbraw/zinc/65/87/93/815658793.db2.gz DRTZFRIRYDGYPO-UHFFFAOYSA-N 0 3 294.196 2.067 20 30 CEEDHN C=CCOC1CCC(N2CCOC3(CC3)C2)CC1 ZINC001173323499 815674996 /nfs/dbraw/zinc/67/49/96/815674996.db2.gz ZDBYJQMPESOABO-UHFFFAOYSA-N 0 3 251.370 2.365 20 30 CEEDHN C[C@@H]1CN(C2CN(C3CCC(CC#N)CC3)C2)C[C@@H](C)O1 ZINC001173339389 815682078 /nfs/dbraw/zinc/68/20/78/815682078.db2.gz GGIDQLVBWDLSCA-WXLSXGNJSA-N 0 3 291.439 2.252 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCCC1)C2 ZINC001095126952 815705114 /nfs/dbraw/zinc/70/51/14/815705114.db2.gz SRXYGPJQIOFDCR-PMPSAXMXSA-N 0 3 274.408 2.312 20 30 CEEDHN COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1C1CCC(C)(C#N)CC1 ZINC001173597425 815757021 /nfs/dbraw/zinc/75/70/21/815757021.db2.gz SSRZSVXASMFHHE-DYSQMVFPSA-N 0 3 276.380 2.485 20 30 CEEDHN C#CCOc1ccc(CN2C[C@@H](C(=O)OC)C3(CC3)C2)cc1 ZINC001138560636 815830126 /nfs/dbraw/zinc/83/01/26/815830126.db2.gz DRACWSMBCLCYPV-INIZCTEOSA-N 0 3 299.370 2.084 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](CO)[C@H]2C)c1[O-] ZINC001138625720 815846657 /nfs/dbraw/zinc/84/66/57/815846657.db2.gz SBMBDHNVYNEIRA-DOMZBBRYSA-N 0 3 261.365 2.323 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c1[O-] ZINC001138625720 815846665 /nfs/dbraw/zinc/84/66/65/815846665.db2.gz SBMBDHNVYNEIRA-DOMZBBRYSA-N 0 3 261.365 2.323 20 30 CEEDHN C=CCOc1ccccc1CN1CCN2CC[C@@H]2C1 ZINC001139030843 815948038 /nfs/dbraw/zinc/94/80/38/815948038.db2.gz NHEABHNZPJBRIT-OAHLLOKOSA-N 0 3 258.365 2.141 20 30 CEEDHN COC(=O)C[C@H]1CCN(Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139707396 816092006 /nfs/dbraw/zinc/09/20/06/816092006.db2.gz ZGGFTWAGNGMAMU-GFCCVEGCSA-N 0 3 297.358 2.425 20 30 CEEDHN Cc1ccc(CN2CCC3(CCC(=O)N3C)CC2)cc1C#N ZINC001139727535 816097427 /nfs/dbraw/zinc/09/74/27/816097427.db2.gz TWRSZYTYVWVDOK-UHFFFAOYSA-N 0 3 297.402 2.454 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)C[C@H](C)n1cccc1 ZINC001139869768 816131339 /nfs/dbraw/zinc/13/13/39/816131339.db2.gz SOEZFRUXVPPJAH-HNNXBMFYSA-N 0 3 277.412 2.406 20 30 CEEDHN C[C@@]1(O)CCCCN(Cc2cc(F)cc(C#N)c2)C1 ZINC001139873339 816132667 /nfs/dbraw/zinc/13/26/67/816132667.db2.gz LBHHNYZFSOWMMD-OAHLLOKOSA-N 0 3 262.328 2.434 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)Cc1ccncc1O ZINC001140277550 816221513 /nfs/dbraw/zinc/22/15/13/816221513.db2.gz DMJGQSWIJKFWFK-UHFFFAOYSA-N 0 3 253.305 2.291 20 30 CEEDHN CCN1CCN(c2ccc(CN3CC[C@@H](C#N)C3)cc2)CC1 ZINC001140306444 816227588 /nfs/dbraw/zinc/22/75/88/816227588.db2.gz SELILXPGZIABDB-KRWDZBQOSA-N 0 3 298.434 2.174 20 30 CEEDHN COc1cc(NC(=O)C(C#N)Cc2cccs2)no1 ZINC001177904140 816638916 /nfs/dbraw/zinc/63/89/16/816638916.db2.gz NGDDIASZCIALSZ-QMMMGPOBSA-N 0 3 277.305 2.066 20 30 CEEDHN COc1ccnc(NC(=O)C(C#N)Cc2cccs2)c1 ZINC001177904273 816639627 /nfs/dbraw/zinc/63/96/27/816639627.db2.gz OAAKHDYCVLIZHH-JTQLQIEISA-N 0 3 287.344 2.473 20 30 CEEDHN C#C[C@H](CCC)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000229971628 816669206 /nfs/dbraw/zinc/66/92/06/816669206.db2.gz TYZMGWGKJLMHIW-TZMCWYRMSA-N 0 3 262.309 2.020 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@H](C)CCC)C1 ZINC001149400328 816860331 /nfs/dbraw/zinc/86/03/31/816860331.db2.gz WJOMNPZVGLSPPG-HUUCEWRRSA-N 0 3 282.428 2.206 20 30 CEEDHN C[C@@H](CC#N)NC1CCN(c2nccs2)CC1 ZINC001179479786 816867459 /nfs/dbraw/zinc/86/74/59/816867459.db2.gz VEBPCDGIRKNDNQ-JTQLQIEISA-N 0 3 250.371 2.004 20 30 CEEDHN C=CCN(C)CCC(=O)NCc1ccccc1Cl ZINC000121266644 365544138 /nfs/dbraw/zinc/54/41/38/365544138.db2.gz MKYNLYSNTVGVJO-UHFFFAOYSA-N 0 3 266.772 2.464 20 30 CEEDHN COC[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000124757226 187152301 /nfs/dbraw/zinc/15/23/01/187152301.db2.gz HZIXIABLWVHUSZ-NSHDSACASA-N 0 3 250.367 2.478 20 30 CEEDHN CCN1CCC[C@@H]1CNc1nc(C)cc(C)c1C#N ZINC000035121556 361816440 /nfs/dbraw/zinc/81/64/40/361816440.db2.gz AJYDTZOZPYGPHX-CYBMUJFWSA-N 0 3 258.369 2.466 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](c2cccc(C)c2)C1 ZINC000273074781 192037110 /nfs/dbraw/zinc/03/71/10/192037110.db2.gz JZCSXQZQJVMVHU-HOCLYGCPSA-N 0 3 272.392 2.475 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000336548652 365631041 /nfs/dbraw/zinc/63/10/41/365631041.db2.gz SXTFHCLNCHCUTG-QGZVFWFLSA-N 0 3 298.390 2.426 20 30 CEEDHN N#Cc1cnc(N2CCN(CC3CCCCC3)CC2)cn1 ZINC000122683717 365631015 /nfs/dbraw/zinc/63/10/15/365631015.db2.gz KHUXYOKVTFLURF-UHFFFAOYSA-N 0 3 285.395 2.051 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@H](CF)c1ccc(F)cc1 ZINC000601548000 346849452 /nfs/dbraw/zinc/84/94/52/346849452.db2.gz YXBVQVHZUWXOON-UONOGXRCSA-N 0 3 295.333 2.364 20 30 CEEDHN COc1cc(CN(C)C)ccc1NC(=O)c1c[nH]c(C#N)c1 ZINC000601620696 346863102 /nfs/dbraw/zinc/86/31/02/346863102.db2.gz JVBIRYUPPDWXAW-UHFFFAOYSA-N 0 3 298.346 2.209 20 30 CEEDHN C[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccn1 ZINC000037889257 361959454 /nfs/dbraw/zinc/95/94/54/361959454.db2.gz RNISEEZROTVZAX-MLGOLLRUSA-N 0 3 267.332 2.337 20 30 CEEDHN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)C(C)C#N ZINC000336574157 529402115 /nfs/dbraw/zinc/40/21/15/529402115.db2.gz PEVVOGYOJIEKJR-UONOGXRCSA-N 0 3 271.364 2.273 20 30 CEEDHN N#CCc1ccccc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000601662953 346872272 /nfs/dbraw/zinc/87/22/72/346872272.db2.gz WDJFAZGDMSXGNB-IAGOWNOFSA-N 0 3 297.402 2.499 20 30 CEEDHN C[C@H](NC(=O)C1CCCC1)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000328835346 539185974 /nfs/dbraw/zinc/18/59/74/539185974.db2.gz WZPFMQWCZOHQJY-GXTWGEPZSA-N 0 3 295.427 2.074 20 30 CEEDHN C[C@H](NC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CCCCO1 ZINC000329417791 539238853 /nfs/dbraw/zinc/23/88/53/539238853.db2.gz DMDRNUBVGNJQMO-WFASDCNBSA-N 0 3 295.427 2.074 20 30 CEEDHN C=CCOc1ccc(CN(C)C2(CO)CC2)cc1OC ZINC000668801822 539275398 /nfs/dbraw/zinc/27/53/98/539275398.db2.gz MHCGFUNDZSRTKE-UHFFFAOYSA-N 0 3 277.364 2.217 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000127205180 365735769 /nfs/dbraw/zinc/73/57/69/365735769.db2.gz AEMGQUIEWYKCKR-STQMWFEESA-N 0 3 265.401 2.219 20 30 CEEDHN C=CCOc1ccccc1C(=O)NCCN1CCCCC1 ZINC000047140428 362199566 /nfs/dbraw/zinc/19/95/66/362199566.db2.gz RTMGYPGIEAPOMA-UHFFFAOYSA-N 0 3 288.391 2.467 20 30 CEEDHN CC(C)CCN(CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000045751754 343487793 /nfs/dbraw/zinc/48/77/93/343487793.db2.gz FZVNQBLTBRBTNJ-MRXNPFEDSA-N 0 3 277.412 2.305 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CC(c2ccccc2)C1 ZINC000601963639 346944460 /nfs/dbraw/zinc/94/44/60/346944460.db2.gz LLGNSVRKPFQJDZ-OAHLLOKOSA-N 0 3 258.365 2.387 20 30 CEEDHN N#Cc1cc(N[C@H]2CCCN(Cc3ccccc3)C2)ccn1 ZINC000336678388 365755991 /nfs/dbraw/zinc/75/59/91/365755991.db2.gz MVBAJDYUKARNHQ-KRWDZBQOSA-N 0 3 292.386 2.452 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)CCc2ccc(C#N)cc2)C1 ZINC000046861491 343505468 /nfs/dbraw/zinc/50/54/68/343505468.db2.gz SLGHGZUYHUFOEX-OAHLLOKOSA-N 0 3 299.418 2.339 20 30 CEEDHN C#CCN1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000050024045 343541220 /nfs/dbraw/zinc/54/12/20/343541220.db2.gz VCHLYPGXJAYMMI-UHFFFAOYSA-N 0 3 290.794 2.301 20 30 CEEDHN C=C(C)CN(CC)C[C@H](O)COc1ccc(C#N)cc1 ZINC000046342190 343498218 /nfs/dbraw/zinc/49/82/18/343498218.db2.gz CZLVLZMXLZABGF-HNNXBMFYSA-N 0 3 274.364 2.196 20 30 CEEDHN CN(CCC(=O)N1CCCCC1)Cc1ccc(C#N)cc1 ZINC000046529140 343501276 /nfs/dbraw/zinc/50/12/76/343501276.db2.gz CDDBHDPKKWMNBE-UHFFFAOYSA-N 0 3 285.391 2.393 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(CCCC)C1CC1 ZINC000046602866 343501678 /nfs/dbraw/zinc/50/16/78/343501678.db2.gz OPIOEXZHRAGVGQ-UHFFFAOYSA-N 0 3 250.386 2.452 20 30 CEEDHN N#Cc1c(F)cccc1CN[C@@H]1CCN(CC2CC2)C1 ZINC000602000666 346954207 /nfs/dbraw/zinc/95/42/07/346954207.db2.gz JFGVXPPFXFMLKI-CQSZACIVSA-N 0 3 273.355 2.271 20 30 CEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccco1 ZINC000065931216 343704400 /nfs/dbraw/zinc/70/44/00/343704400.db2.gz WCSJVSFQRDCFFM-UHFFFAOYSA-N 0 3 297.358 2.355 20 30 CEEDHN N#Cc1c(F)cccc1CN[C@H]1CCO[C@]2(CCOC2)C1 ZINC000602016713 346960950 /nfs/dbraw/zinc/96/09/50/346960950.db2.gz XTSCHOZOMMGGGY-XJKSGUPXSA-N 0 3 290.338 2.125 20 30 CEEDHN C[C@H]1C[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000068310621 343761260 /nfs/dbraw/zinc/76/12/60/343761260.db2.gz ZVEBBMTYRMHTDA-BBRMVZONSA-N 0 3 285.391 2.104 20 30 CEEDHN N#CCCCN1CCC(COc2ccccn2)CC1 ZINC000081098929 344039340 /nfs/dbraw/zinc/03/93/40/344039340.db2.gz WPWTYTYKDNCOCB-UHFFFAOYSA-N 0 3 259.353 2.476 20 30 CEEDHN CN(CC(=O)N(C)[C@@H]1CCC[C@H]1C#N)CC(C)(C)C ZINC000602193363 346991731 /nfs/dbraw/zinc/99/17/31/346991731.db2.gz AMDPPTHTEZFCGG-QWHCGFSZSA-N 0 3 265.401 2.115 20 30 CEEDHN N#Cc1ccccc1CN1CCN(CC2CC2)CC1 ZINC000048336406 362256890 /nfs/dbraw/zinc/25/68/90/362256890.db2.gz XTQADVZEMMWXRE-UHFFFAOYSA-N 0 3 255.365 2.086 20 30 CEEDHN C[C@H](C#N)CN(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000079121369 343973972 /nfs/dbraw/zinc/97/39/72/343973972.db2.gz SFFMCOMSPAFNSP-HIFRSBDPSA-N 0 3 288.395 2.090 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CC1CC1 ZINC000048580029 362288256 /nfs/dbraw/zinc/28/82/56/362288256.db2.gz DAAGALKNZWTVRV-GFCCVEGCSA-N 0 3 263.385 2.059 20 30 CEEDHN N#Cc1ccc(CN2CCC(c3nnc[nH]3)CC2)cc1 ZINC000083445688 344077063 /nfs/dbraw/zinc/07/70/63/344077063.db2.gz CSIKBXLFWSESBB-UHFFFAOYSA-N 0 3 267.336 2.056 20 30 CEEDHN CCC1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CCC1 ZINC000083989340 344080872 /nfs/dbraw/zinc/08/08/72/344080872.db2.gz PQTNNWFKVVKGOI-AWEZNQCLSA-N 0 3 271.364 2.255 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)C(C)(C)C#N)N(C)C)cc1 ZINC000049378743 362358216 /nfs/dbraw/zinc/35/82/16/362358216.db2.gz VFUSGCYXTZQTQB-AWEZNQCLSA-N 0 3 273.380 2.264 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)CC(C)(C)N1CCOCC1 ZINC000602441291 347034635 /nfs/dbraw/zinc/03/46/35/347034635.db2.gz YLMGJWGKFUXWFF-UHFFFAOYSA-N 0 3 287.407 2.101 20 30 CEEDHN CO[C@H](CN(C)Cc1ccc(C#N)cc1)C1CCOCC1 ZINC000602439652 347033520 /nfs/dbraw/zinc/03/35/20/347033520.db2.gz PBIDLFOEDJAIJS-QGZVFWFLSA-N 0 3 288.391 2.432 20 30 CEEDHN CCC(CC)CN(CCC#N)C[C@]1(OC)CCOC1 ZINC000602464732 347042960 /nfs/dbraw/zinc/04/29/60/347042960.db2.gz GARZBXKDUKMEKT-OAHLLOKOSA-N 0 3 268.401 2.444 20 30 CEEDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1ccnc(C#N)c1 ZINC000124180096 344313727 /nfs/dbraw/zinc/31/37/27/344313727.db2.gz WYNYMUSKMFDXEF-BBRMVZONSA-N 0 3 273.380 2.469 20 30 CEEDHN Cc1cc(C#N)ccc1CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000127454381 344329726 /nfs/dbraw/zinc/32/97/26/344329726.db2.gz LVWMEHGPESTZGD-OKILXGFUSA-N 0 3 257.381 2.391 20 30 CEEDHN N#Cc1ccc(S(=O)(=O)CCNC2CCCCC2)cc1 ZINC000147723679 344412760 /nfs/dbraw/zinc/41/27/60/344412760.db2.gz XEZWXEWKRJLOJU-UHFFFAOYSA-N 0 3 292.404 2.254 20 30 CEEDHN CN1CCN(Cc2cccc(C#N)n2)C2(CCCCC2)C1 ZINC000602480222 347053351 /nfs/dbraw/zinc/05/33/51/347053351.db2.gz AYFQINFZGIQIIK-UHFFFAOYSA-N 0 3 284.407 2.404 20 30 CEEDHN CC[C@H]1CN(C)CCCN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000234142370 344583327 /nfs/dbraw/zinc/58/33/27/344583327.db2.gz IVFKRRABFBMCLS-ZDUSSCGKSA-N 0 3 288.351 2.387 20 30 CEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccnc1 ZINC000602501405 347058630 /nfs/dbraw/zinc/05/86/30/347058630.db2.gz DPFUSVBOXLSUPJ-CYBMUJFWSA-N 0 3 259.353 2.270 20 30 CEEDHN C[C@@H]1CCCN(C(=O)C2CCN(CCCC#N)CC2)C1 ZINC000051922678 362450479 /nfs/dbraw/zinc/45/04/79/362450479.db2.gz PAWUBJOQQCDREF-CQSZACIVSA-N 0 3 277.412 2.261 20 30 CEEDHN N#Cc1cncnc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309815097 344729822 /nfs/dbraw/zinc/72/98/22/344729822.db2.gz NYDUMJQFLSHNQW-MRXNPFEDSA-N 0 3 293.374 2.425 20 30 CEEDHN C[C@@H]1CN(C(=O)[C@@H](N)CCCCC#N)C[C@@H](C)C1(F)F ZINC000602533381 347068604 /nfs/dbraw/zinc/06/86/04/347068604.db2.gz MQXZKRHRZQKKLI-UTUOFQBUSA-N 0 3 287.354 2.147 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@H]1C[C@H](C)O ZINC000312771984 344739656 /nfs/dbraw/zinc/73/96/56/344739656.db2.gz DONNWRZBRHKZLH-GJZGRUSLSA-N 0 3 282.428 2.036 20 30 CEEDHN Cc1cccc(CNC[C@@H](O)COc2ccccc2C#N)c1 ZINC000314657620 344746683 /nfs/dbraw/zinc/74/66/83/344746683.db2.gz HDSGBYMXJIJBFA-QGZVFWFLSA-N 0 3 296.370 2.396 20 30 CEEDHN N#CC1(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000336374310 344765377 /nfs/dbraw/zinc/76/53/77/344765377.db2.gz RPFRRPNYMYEDBN-ZFWWWQNUSA-N 0 3 259.397 2.239 20 30 CEEDHN CCO[C@H]1C[C@H](NCc2cccc(C#N)n2)C12CCC2 ZINC000602548680 347072706 /nfs/dbraw/zinc/07/27/06/347072706.db2.gz VEMFTSDPTKPCHB-GJZGRUSLSA-N 0 3 271.364 2.391 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NCc1cccc(C#N)n1 ZINC000602540695 347070952 /nfs/dbraw/zinc/07/09/52/347070952.db2.gz MYWDCINFIHHYDT-HNNXBMFYSA-N 0 3 260.385 2.019 20 30 CEEDHN C[C@@H](CN(C)C)NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000354516345 344804883 /nfs/dbraw/zinc/80/48/83/344804883.db2.gz SVBIWKUIIFWBSS-ZFWWWQNUSA-N 0 3 288.395 2.281 20 30 CEEDHN CC[C@@H](C#N)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390817304 344838350 /nfs/dbraw/zinc/83/83/50/344838350.db2.gz NYRHFQMFEMMDIJ-JKSUJKDBSA-N 0 3 285.391 2.317 20 30 CEEDHN C#CCN(C(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000491553906 344912038 /nfs/dbraw/zinc/91/20/38/344912038.db2.gz DQYDUMBSJQQMSA-OAHLLOKOSA-N 0 3 266.344 2.383 20 30 CEEDHN C=CCN1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000493804015 344920377 /nfs/dbraw/zinc/92/03/77/344920377.db2.gz BQFUUSFAESIKMK-NWDGAFQWSA-N 0 3 254.374 2.408 20 30 CEEDHN CC[C@H](Cn1cncn1)NCc1ccc(C#N)c(Cl)c1 ZINC000585726462 345011904 /nfs/dbraw/zinc/01/19/04/345011904.db2.gz GJSOPSVPAUIKQC-CYBMUJFWSA-N 0 3 289.770 2.372 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)CCCCCC#N)C1 ZINC000588295234 345045711 /nfs/dbraw/zinc/04/57/11/345045711.db2.gz IACINZWSKWSCDE-AWEZNQCLSA-N 0 3 265.401 2.309 20 30 CEEDHN CN(C)Cc1ccccc1NC(=O)CC1(C#N)CC1 ZINC000590152864 345118029 /nfs/dbraw/zinc/11/80/29/345118029.db2.gz YKNCHZRPRCNRSO-UHFFFAOYSA-N 0 3 257.337 2.381 20 30 CEEDHN CN(C)CCOc1ccc(NC(=O)CC2(C#N)CC2)cc1 ZINC000590161165 345118485 /nfs/dbraw/zinc/11/84/85/345118485.db2.gz IKNZNPDRCPYFKF-UHFFFAOYSA-N 0 3 287.363 2.259 20 30 CEEDHN CC[C@H](NCc1ccc(C#N)cc1)[C@@H](O)C(F)F ZINC000295096108 199342859 /nfs/dbraw/zinc/34/28/59/199342859.db2.gz SBHBRUDSVFYTHT-NWDGAFQWSA-N 0 3 254.280 2.052 20 30 CEEDHN CO[C@H]1C[C@@H](NCc2ccnc(C#N)c2)C12CCC2 ZINC000590971470 345207676 /nfs/dbraw/zinc/20/76/76/345207676.db2.gz ZOUAENKFWUMLMX-KGLIPLIRSA-N 0 3 257.337 2.000 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000591029787 345213424 /nfs/dbraw/zinc/21/34/24/345213424.db2.gz JZXMTXJBIRGSTJ-MLGOLLRUSA-N 0 3 269.348 2.274 20 30 CEEDHN N#Cc1ccccc1N1CCN(CCC[C@@H]2CCOC2)CC1 ZINC000592066412 345317863 /nfs/dbraw/zinc/31/78/63/345317863.db2.gz BWDZCAUYKIXQKX-MRXNPFEDSA-N 0 3 299.418 2.497 20 30 CEEDHN C[C@H](Cc1ccsc1)N1CC[C@@](O)(CC#N)C1 ZINC000592522886 345366056 /nfs/dbraw/zinc/36/60/56/345366056.db2.gz SLPOKSCYEFKBSR-YPMHNXCESA-N 0 3 250.367 2.030 20 30 CEEDHN COCC[C@@H](c1ccccc1)N1CC[C@@](O)(CC#N)C1 ZINC000592150435 345330021 /nfs/dbraw/zinc/33/00/21/345330021.db2.gz CNICDLNYLFFTSS-HOTGVXAUSA-N 0 3 274.364 2.115 20 30 CEEDHN Cc1ccccc1CCCN1CC[C@@](O)(CC#N)C1 ZINC000592150583 345330087 /nfs/dbraw/zinc/33/00/87/345330087.db2.gz GYXCDWBPBHTTTO-INIZCTEOSA-N 0 3 258.365 2.278 20 30 CEEDHN C[C@H](CC(C)(C)O)NCc1ccc(C#N)cc1F ZINC000295112476 199350461 /nfs/dbraw/zinc/35/04/61/199350461.db2.gz VHBVNFLNGYRVAL-SNVBAGLBSA-N 0 3 250.317 2.336 20 30 CEEDHN CCCN(C(=O)c1ccc(C#N)cc1C)[C@H]1CCN(C)C1 ZINC000592828272 345401041 /nfs/dbraw/zinc/40/10/41/345401041.db2.gz DZCUXQAWNSMSSQ-HNNXBMFYSA-N 0 3 285.391 2.423 20 30 CEEDHN CC[C@H](C#N)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000593448004 345489090 /nfs/dbraw/zinc/48/90/90/345489090.db2.gz KVUFPTNJEUYKCA-ZIAGYGMSSA-N 0 3 263.385 2.013 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000593505323 345499839 /nfs/dbraw/zinc/49/98/39/345499839.db2.gz LQNNWTGXWNXTQV-YRGRVCCFSA-N 0 3 288.347 2.203 20 30 CEEDHN CC[C@@H](C#N)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000593398793 345476603 /nfs/dbraw/zinc/47/66/03/345476603.db2.gz FUKTYCBDIUDOGX-HOCLYGCPSA-N 0 3 285.391 2.489 20 30 CEEDHN N#Cc1cccc(CN2CCC(NCc3cn[nH]c3)CC2)c1 ZINC000593692330 345521115 /nfs/dbraw/zinc/52/11/15/345521115.db2.gz BMULYBZATPBEJW-UHFFFAOYSA-N 0 3 295.390 2.036 20 30 CEEDHN CCC(C#N)C(=O)N([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000593743306 345530755 /nfs/dbraw/zinc/53/07/55/345530755.db2.gz GNIDGHAAIIONJP-WDEREUQCSA-N 0 3 280.368 2.257 20 30 CEEDHN CC[C@H](C(=O)NCC1(C#N)CCCC1)N(CC)CC ZINC000593780267 345536799 /nfs/dbraw/zinc/53/67/99/345536799.db2.gz YPTGGONTHIJNMX-CYBMUJFWSA-N 0 3 265.401 2.307 20 30 CEEDHN CCN1CCCC[C@H]1C(=O)N1Cc2cccc(C#N)c2C1 ZINC000593890917 345548983 /nfs/dbraw/zinc/54/89/83/345548983.db2.gz JIQHZSZPNUVMSB-INIZCTEOSA-N 0 3 283.375 2.275 20 30 CEEDHN CC(C)C[C@@H](N)c1noc([C@H](N)CCCCC#N)n1 ZINC000593944202 345554437 /nfs/dbraw/zinc/55/44/37/345554437.db2.gz UENKBGHFZJGBCN-GHMZBOCLSA-N 0 3 265.361 2.199 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)C[C@H]1CCCN1C ZINC000594051669 345573999 /nfs/dbraw/zinc/57/39/99/345573999.db2.gz UZVYWROZCWXONO-WMLDXEAASA-N 0 3 299.418 2.289 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000593612047 345512865 /nfs/dbraw/zinc/51/28/65/345512865.db2.gz GVOWERHOZQLUTI-JSGCOSHPSA-N 0 3 288.347 2.184 20 30 CEEDHN N#Cc1ccc(CNC[C@]2(CO)CCc3ccccc32)o1 ZINC000593653457 345517242 /nfs/dbraw/zinc/51/72/42/345517242.db2.gz YKCRHQSCSZWYQK-KRWDZBQOSA-N 0 3 282.343 2.117 20 30 CEEDHN C[C@@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)N(C)C1CC1 ZINC000594220827 345599817 /nfs/dbraw/zinc/59/98/17/345599817.db2.gz ISPKRVHIEQTWSJ-LBPRGKRZSA-N 0 3 298.390 2.066 20 30 CEEDHN CC(C)N1CCCN(C(=O)CCCCC#N)CC1 ZINC000594278997 345607850 /nfs/dbraw/zinc/60/78/50/345607850.db2.gz ZEAFIESKHKLCFI-UHFFFAOYSA-N 0 3 251.374 2.013 20 30 CEEDHN C[C@H](CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1)N1CCCC1 ZINC000594283938 345608585 /nfs/dbraw/zinc/60/85/85/345608585.db2.gz OTYHTXSZXPWGMY-LSDHHAIUSA-N 0 3 299.418 2.337 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594282925 345608600 /nfs/dbraw/zinc/60/86/00/345608600.db2.gz CCLXPVHWODWVJS-KBPBESRZSA-N 0 3 292.427 2.194 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](CC(=O)OC(C)C)C(C)C ZINC000594401516 345621317 /nfs/dbraw/zinc/62/13/17/345621317.db2.gz DTWGFXSKUJXHNN-VXGBXAGGSA-N 0 3 268.357 2.019 20 30 CEEDHN CN(Cc1ccccc1F)C(=O)[C@@H](N)CCCCC#N ZINC000594424502 345625538 /nfs/dbraw/zinc/62/55/38/345625538.db2.gz ADAUWGVZOPDQCB-AWEZNQCLSA-N 0 3 277.343 2.195 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000594426165 345625612 /nfs/dbraw/zinc/62/56/12/345625612.db2.gz PQDXVPZMNVPWIU-MNOVXSKESA-N 0 3 291.317 2.199 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc2c1CCN2 ZINC000594424424 345625656 /nfs/dbraw/zinc/62/56/56/345625656.db2.gz DISKRGRGFIRXIA-LBPRGKRZSA-N 0 3 272.352 2.004 20 30 CEEDHN C[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594425927 345625704 /nfs/dbraw/zinc/62/57/04/345625704.db2.gz BPEFCIKUCZOXAE-UPJWGTAASA-N 0 3 251.374 2.093 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1C(=O)[C@H](N)CCCCC#N ZINC000594425670 345625730 /nfs/dbraw/zinc/62/57/30/345625730.db2.gz LWACDNMUVJJILV-FRRDWIJNSA-N 0 3 251.374 2.187 20 30 CEEDHN CC[C@H]1CCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594425744 345625836 /nfs/dbraw/zinc/62/58/36/345625836.db2.gz BOKLNWJDIKEXIK-QWHCGFSZSA-N 0 3 251.374 2.046 20 30 CEEDHN CN(Cc1ccsc1)C(=O)[C@@H](N)CCCCC#N ZINC000594427642 345627240 /nfs/dbraw/zinc/62/72/40/345627240.db2.gz VUHAXRAQVKHWFR-LBPRGKRZSA-N 0 3 265.382 2.118 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCC1CCCCC1 ZINC000594427490 345627295 /nfs/dbraw/zinc/62/72/95/345627295.db2.gz UWRMLQALIXVRCR-ZDUSSCGKSA-N 0 3 251.374 2.094 20 30 CEEDHN COc1ccc([C@@H](C)NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594430128 345627663 /nfs/dbraw/zinc/62/76/63/345627663.db2.gz WFBSMLCWXHGMIT-IUODEOHRSA-N 0 3 289.379 2.284 20 30 CEEDHN CCC1CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594429576 345627973 /nfs/dbraw/zinc/62/79/73/345627973.db2.gz UKUYJFQKWRCOKM-ZDUSSCGKSA-N 0 3 251.374 2.046 20 30 CEEDHN CC(C)COC1CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594429975 345628078 /nfs/dbraw/zinc/62/80/78/345628078.db2.gz YLNCWGUNZWKISJ-OAHLLOKOSA-N 0 3 295.427 2.061 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@@H](N)CCCCC#N ZINC000594430168 345628265 /nfs/dbraw/zinc/62/82/65/345628265.db2.gz ZRJQZWZEHMGYQY-ILXRZTDVSA-N 0 3 295.427 2.109 20 30 CEEDHN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CCCCC#N)C1(C)C ZINC000594434208 345629110 /nfs/dbraw/zinc/62/91/10/345629110.db2.gz XUNITJLJINQZGG-BFHYXJOUSA-N 0 3 295.427 2.060 20 30 CEEDHN CC(C)(C)[C@@H](NC(=O)[C@@H](N)CCCCC#N)C(F)(F)F ZINC000594433627 345629158 /nfs/dbraw/zinc/62/91/58/345629158.db2.gz PWOLAMMQHASGNL-GXSJLCMTSA-N 0 3 293.333 2.491 20 30 CEEDHN Cc1nc(C)c(NC(=O)[C@@H](N)CCCCC#N)s1 ZINC000594433723 345629321 /nfs/dbraw/zinc/62/93/21/345629321.db2.gz RKJHMOSEJIXVGM-JTQLQIEISA-N 0 3 266.370 2.110 20 30 CEEDHN C[C@@H]1CCC[C@H](NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594438317 345630633 /nfs/dbraw/zinc/63/06/33/345630633.db2.gz SUDCFXAQWSHBCD-HZSPNIEDSA-N 0 3 265.401 2.483 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1C1CCC1 ZINC000594439853 345631079 /nfs/dbraw/zinc/63/10/79/345631079.db2.gz RMVGEFWRLZVREP-UONOGXRCSA-N 0 3 263.385 2.189 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000594440332 345631479 /nfs/dbraw/zinc/63/14/79/345631479.db2.gz XHZOTKIKCISIKY-AWEZNQCLSA-N 0 3 287.363 2.361 20 30 CEEDHN CC[C@H](NC(=O)[C@H](N)CCCCC#N)c1nccs1 ZINC000594440098 345631559 /nfs/dbraw/zinc/63/15/59/345631559.db2.gz ZKWJGCOOMXCUGO-MNOVXSKESA-N 0 3 280.397 2.122 20 30 CEEDHN CC(C)N(Cc1ccccn1)C(=O)[C@H](N)CCCCC#N ZINC000594440929 345631583 /nfs/dbraw/zinc/63/15/83/345631583.db2.gz JLJQCCITEJOGRB-OAHLLOKOSA-N 0 3 288.395 2.230 20 30 CEEDHN CC[C@@H]1C[C@@H](C)CN1C(=O)[C@H](N)CCCCC#N ZINC000594444107 345631956 /nfs/dbraw/zinc/63/19/56/345631956.db2.gz KRTIBQNYOJKURU-JHJVBQTASA-N 0 3 251.374 2.045 20 30 CEEDHN CC(C)CC1(CNC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594445460 345632767 /nfs/dbraw/zinc/63/27/67/345632767.db2.gz GEVVUVCSXGELBA-CYBMUJFWSA-N 0 3 265.401 2.340 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC[C@H]1CCc2ccccc2C1 ZINC000594447646 345633539 /nfs/dbraw/zinc/63/35/39/345633539.db2.gz USKHIVJWTNLBIF-YOEHRIQHSA-N 0 3 299.418 2.319 20 30 CEEDHN N#CCCCCC(=O)N1CCc2ccccc2[C@H]1CN ZINC000594450219 345634191 /nfs/dbraw/zinc/63/41/91/345634191.db2.gz UWJNWZVHIVRNGY-OAHLLOKOSA-N 0 3 271.364 2.155 20 30 CEEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cn1 ZINC000594455880 345635784 /nfs/dbraw/zinc/63/57/84/345635784.db2.gz DHXDPRBIWCFDQI-CMPLNLGQSA-N 0 3 294.786 2.323 20 30 CEEDHN N#Cc1ccnc(N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594604433 345658342 /nfs/dbraw/zinc/65/83/42/345658342.db2.gz ZEPHEXCFPDOJMT-KGLIPLIRSA-N 0 3 256.353 2.382 20 30 CEEDHN CN1C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)CCC1=O ZINC000594511374 345640814 /nfs/dbraw/zinc/64/08/14/345640814.db2.gz HOQYVZGRRUNZRG-HNNXBMFYSA-N 0 3 285.391 2.198 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCCN3CCCC[C@H]23)o1 ZINC000594518545 345642852 /nfs/dbraw/zinc/64/28/52/345642852.db2.gz HMSYOPHUMQNIJQ-LSDHHAIUSA-N 0 3 259.353 2.258 20 30 CEEDHN N#Cc1ncccc1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594596940 345655710 /nfs/dbraw/zinc/65/57/10/345655710.db2.gz BJMWJXPEVSUIOG-UKRRQHHQSA-N 0 3 256.353 2.382 20 30 CEEDHN Cc1nnc(N[C@H]2CCCN3CCCC[C@H]23)c(C#N)c1C ZINC000594598623 345656383 /nfs/dbraw/zinc/65/63/83/345656383.db2.gz HBAWELFKYQOCKZ-LSDHHAIUSA-N 0 3 285.395 2.394 20 30 CEEDHN C=CCCSCCN[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000594708629 345675736 /nfs/dbraw/zinc/67/57/36/345675736.db2.gz AJVUTGCDLDBREZ-CQSZACIVSA-N 0 3 296.411 2.121 20 30 CEEDHN CS(=O)(=O)C1(CN[C@H]2CC[C@H](C#N)C2)CCCCC1 ZINC000595078005 345740331 /nfs/dbraw/zinc/74/03/31/345740331.db2.gz RJVPEHMUILNQCK-STQMWFEESA-N 0 3 284.425 2.016 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@H](O)C13CCC3)CC2 ZINC000595093024 345741372 /nfs/dbraw/zinc/74/13/72/345741372.db2.gz XVKONWWPOCLDAV-OAGGEKHMSA-N 0 3 268.360 2.439 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl ZINC000595258676 345750321 /nfs/dbraw/zinc/75/03/21/345750321.db2.gz VYXRYHNGUHGRBI-FPMFFAJLSA-N 0 3 291.782 2.333 20 30 CEEDHN CO[C@H](CNC(=O)[C@H](N)CCCCC#N)C1CCCCC1 ZINC000595260098 345750930 /nfs/dbraw/zinc/75/09/30/345750930.db2.gz USTHWDVMHGJNJX-HUUCEWRRSA-N 0 3 295.427 2.109 20 30 CEEDHN N#Cc1ccc(CCN2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000595309912 345760016 /nfs/dbraw/zinc/76/00/16/345760016.db2.gz AUYPGJDVTMARTB-UONOGXRCSA-N 0 3 298.308 2.488 20 30 CEEDHN CO[C@H](CN(C)Cc1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000595286426 345754205 /nfs/dbraw/zinc/75/42/05/345754205.db2.gz CQQCUENRQMFQCO-HZPDHXFCSA-N 0 3 274.364 2.042 20 30 CEEDHN N#Cc1ccc(N2CCN(CCC3CCC3)CC2)nc1 ZINC000595295665 345756578 /nfs/dbraw/zinc/75/65/78/345756578.db2.gz OGPODLSNVUQTBV-UHFFFAOYSA-N 0 3 270.380 2.265 20 30 CEEDHN C[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000594963407 345718006 /nfs/dbraw/zinc/71/80/06/345718006.db2.gz VBUCGKZMDRXTTA-MNVSYLFESA-N 0 3 294.395 2.477 20 30 CEEDHN N#Cc1ccc(CN[C@H]2C[C@H](O)C23CCC3)c(F)c1 ZINC000594987257 345722044 /nfs/dbraw/zinc/72/20/44/345722044.db2.gz JUWHJZOMNZVRBG-KBPBESRZSA-N 0 3 260.312 2.090 20 30 CEEDHN C[C@H](Cn1cncn1)N[C@@H](CCC#N)c1ccccc1 ZINC000595023253 345729587 /nfs/dbraw/zinc/72/95/87/345729587.db2.gz UIGFFUUIFJSDTB-HIFRSBDPSA-N 0 3 269.352 2.301 20 30 CEEDHN N#Cc1ccc(CCN[C@@H]2CCCn3ccnc32)cc1 ZINC000595056491 345736199 /nfs/dbraw/zinc/73/61/99/345736199.db2.gz JCIKTVOSORNNKV-OAHLLOKOSA-N 0 3 266.348 2.422 20 30 CEEDHN N#C[C@@H](c1ccccc1)N1CC[C@@H](N2CCCC2)C1 ZINC000595308073 345758970 /nfs/dbraw/zinc/75/89/70/345758970.db2.gz YUDJLGCMEHTLSA-CVEARBPZSA-N 0 3 255.365 2.421 20 30 CEEDHN C=CCSCCNC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000595493296 345795319 /nfs/dbraw/zinc/79/53/19/345795319.db2.gz QUNAPZZXHZZSML-AWEZNQCLSA-N 0 3 299.484 2.325 20 30 CEEDHN CCN1CCN(CCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000595492858 345795437 /nfs/dbraw/zinc/79/54/37/345795437.db2.gz OHOMZBASBBUOKE-CQSZACIVSA-N 0 3 257.381 2.127 20 30 CEEDHN C[C@H](NCc1cccc(C#N)n1)[C@H](O)Cc1ccccc1 ZINC000602581694 347087683 /nfs/dbraw/zinc/08/76/83/347087683.db2.gz JYTKHCIEJXNSTO-SUMWQHHRSA-N 0 3 281.359 2.035 20 30 CEEDHN C[C@@H]1C[C@H](N2CCN(c3ccsc3C#N)CC2)CCO1 ZINC000595629670 345832504 /nfs/dbraw/zinc/83/25/04/345832504.db2.gz IALPKFMNQIYRBI-CHWSQXEVSA-N 0 3 291.420 2.309 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)NCC(C)(C)CC#N ZINC000595648488 345837730 /nfs/dbraw/zinc/83/77/30/345837730.db2.gz IYTBSDJUHOYUOL-AWEZNQCLSA-N 0 3 294.443 2.346 20 30 CEEDHN Cc1cc(CN2CC[C@@H]3COC[C@H]3C2)ccc1C#N ZINC000595827399 345887183 /nfs/dbraw/zinc/88/71/83/345887183.db2.gz OWZSSHMUHLROAH-HZPDHXFCSA-N 0 3 256.349 2.335 20 30 CEEDHN N#Cc1ccc(OCCN2CCC[C@](O)(C3CC3)C2)cc1 ZINC000595749109 345865485 /nfs/dbraw/zinc/86/54/85/345865485.db2.gz DRLOCBBJMSMRSX-QGZVFWFLSA-N 0 3 286.375 2.174 20 30 CEEDHN CC[C@@H](NCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000595765111 345870103 /nfs/dbraw/zinc/87/01/03/345870103.db2.gz HEQLMKFOFBDZIK-CQSZACIVSA-N 0 3 257.337 2.275 20 30 CEEDHN Cn1cc(C[C@H]2CCC[C@H]2NCc2ccc(C#N)cn2)cn1 ZINC000595768965 345871755 /nfs/dbraw/zinc/87/17/55/345871755.db2.gz HUWLQILLIXOSHM-NVXWUHKLSA-N 0 3 295.390 2.188 20 30 CEEDHN CCc1nn(C)c(OC)c1CNC1CCC(C#N)CC1 ZINC000602580895 347087985 /nfs/dbraw/zinc/08/79/85/347087985.db2.gz ITEWURITSWZIDN-UHFFFAOYSA-N 0 3 276.384 2.163 20 30 CEEDHN C=CCC1(NC(=O)[C@@H](N)CCCCC#N)CCCC1 ZINC000595971187 345919140 /nfs/dbraw/zinc/91/91/40/345919140.db2.gz BIYWXMYGYFSLGH-ZDUSSCGKSA-N 0 3 263.385 2.403 20 30 CEEDHN C[C@H](C(=O)N1CC[C@](C)(C#N)C1)[C@H](N)c1ccccc1 ZINC000595982015 345920726 /nfs/dbraw/zinc/92/07/26/345920726.db2.gz RDVVNQKYNQVAJK-DUVNUKRYSA-N 0 3 271.364 2.085 20 30 CEEDHN CCc1nc(C#N)cc(N(CCN(C)C)Cc2ccco2)n1 ZINC000596159810 345955767 /nfs/dbraw/zinc/95/57/67/345955767.db2.gz JQISULQGLFXACQ-UHFFFAOYSA-N 0 3 299.378 2.072 20 30 CEEDHN CN(c1nc2ncccc2cc1C#N)[C@H]1CCN(C2CC2)C1 ZINC000596123941 345945058 /nfs/dbraw/zinc/94/50/58/345945058.db2.gz SXLADOGFRAAKEB-HNNXBMFYSA-N 0 3 293.374 2.174 20 30 CEEDHN CN(C)[C@@H]1CCCN(C(=O)NCC2(C#N)CCCCC2)C1 ZINC000596866526 346098238 /nfs/dbraw/zinc/09/82/38/346098238.db2.gz NGOIFXVBWUJZRJ-CQSZACIVSA-N 0 3 292.427 2.196 20 30 CEEDHN CCN(Cc1ccc(C#N)c(OC)c1)[C@@H]1CCOC1 ZINC000311688146 201896655 /nfs/dbraw/zinc/89/66/55/201896655.db2.gz JYFHEIFRMKMNAA-CQSZACIVSA-N 0 3 260.337 2.178 20 30 CEEDHN COC(=O)[C@H](C)CN(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596992393 346112937 /nfs/dbraw/zinc/11/29/37/346112937.db2.gz RRQYKPHUZKPQDJ-CYBMUJFWSA-N 0 3 286.375 2.483 20 30 CEEDHN COC(=O)c1oc(CNCCCCC#N)cc1C ZINC000597055813 346121718 /nfs/dbraw/zinc/12/17/18/346121718.db2.gz PBOUTTWRHSJFHC-UHFFFAOYSA-N 0 3 250.298 2.158 20 30 CEEDHN N#Cc1ccc(OCCN[C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597061598 346122783 /nfs/dbraw/zinc/12/27/83/346122783.db2.gz QJAXYIRKZHXYAE-ZBFHGGJFSA-N 0 3 272.348 2.094 20 30 CEEDHN N#Cc1ccc2ncc(CN3CC[C@@H]4C[C@@H]4C3)n2c1 ZINC000597223439 346153984 /nfs/dbraw/zinc/15/39/84/346153984.db2.gz OUXJLAMHQFZTOS-CHWSQXEVSA-N 0 3 252.321 2.048 20 30 CEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000597604394 346206652 /nfs/dbraw/zinc/20/66/52/346206652.db2.gz MPEBPFRLHSMXNI-SYQHCUMBSA-N 0 3 264.369 2.078 20 30 CEEDHN CC(C#N)C(=O)N1CCCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000597606139 346207066 /nfs/dbraw/zinc/20/70/66/346207066.db2.gz VCQRURIONWOAEX-QTVXIADOSA-N 0 3 278.396 2.324 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)[C@H](C)CC#N ZINC000597648912 346211259 /nfs/dbraw/zinc/21/12/59/346211259.db2.gz SHBVSWMEZGUEGN-CQSZACIVSA-N 0 3 265.401 2.261 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H](C)CC#N ZINC000597476631 346191095 /nfs/dbraw/zinc/19/10/95/346191095.db2.gz ADKPUQYXKQMVCH-UONOGXRCSA-N 0 3 273.380 2.173 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)N1CCC[C@@H](CC#N)C1 ZINC000597911672 346251417 /nfs/dbraw/zinc/25/14/17/346251417.db2.gz OKEXRXWIJZYCKI-KBPBESRZSA-N 0 3 263.385 2.013 20 30 CEEDHN CC(C)(C)N1CC[C@@H](NC(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000597924921 346254050 /nfs/dbraw/zinc/25/40/50/346254050.db2.gz VEBVMLZLRLUJGD-DYVFJYSZSA-N 0 3 289.423 2.449 20 30 CEEDHN CN(C)[C@H](CC(=O)N1CC(CC#N)C1)c1ccccc1 ZINC000598022290 346268349 /nfs/dbraw/zinc/26/83/49/346268349.db2.gz CPIRPLQFMKEQNN-OAHLLOKOSA-N 0 3 271.364 2.051 20 30 CEEDHN CCN(C(=O)c1cccc(C#N)c1)[C@@H]1CCN(CC)C1 ZINC000598041904 346274269 /nfs/dbraw/zinc/27/42/69/346274269.db2.gz OPGPFFGPZWFKHT-OAHLLOKOSA-N 0 3 271.364 2.115 20 30 CEEDHN C[C@H](C(=O)N([C@@H](C)C#N)C1CC1)N1CCCCCC1 ZINC000598127276 346294023 /nfs/dbraw/zinc/29/40/23/346294023.db2.gz AFIUODMJWHCVLX-QWHCGFSZSA-N 0 3 263.385 2.154 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000598572357 346376264 /nfs/dbraw/zinc/37/62/64/346376264.db2.gz IIBQZIUBVXONNY-JQWIXIFHSA-N 0 3 280.368 2.020 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCN(C2CCCCC2)CC1 ZINC000598593619 346380395 /nfs/dbraw/zinc/38/03/95/346380395.db2.gz UALGOOMHXWJYLR-INIZCTEOSA-N 0 3 293.455 2.237 20 30 CEEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc2c(c1)OCO2 ZINC000598603538 346382734 /nfs/dbraw/zinc/38/27/34/346382734.db2.gz VILJIKKRLQWMJE-AAEUAGOBSA-N 0 3 290.363 2.367 20 30 CEEDHN COCC[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccco1 ZINC000598611724 346384077 /nfs/dbraw/zinc/38/40/77/346384077.db2.gz INBNOGJIBKCCJY-OLZOCXBDSA-N 0 3 280.368 2.248 20 30 CEEDHN CC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1c(C)nn(C)c1C ZINC000598612951 346384146 /nfs/dbraw/zinc/38/41/46/346384146.db2.gz SSNDSDLUCCOQPC-UONOGXRCSA-N 0 3 292.427 2.378 20 30 CEEDHN Cc1ccoc1CN(C)C[C@@H](O)CC(C)(C)C#N ZINC000598617247 346384846 /nfs/dbraw/zinc/38/48/46/346384846.db2.gz HFBLSLBVKBOJGQ-LBPRGKRZSA-N 0 3 250.342 2.321 20 30 CEEDHN Cc1ccnc([C@@H]2CCN(C[C@H](O)CC(C)(C)C#N)C2)c1 ZINC000598620931 346386208 /nfs/dbraw/zinc/38/62/08/346386208.db2.gz PXMGIUQFPOPIFB-HUUCEWRRSA-N 0 3 287.407 2.480 20 30 CEEDHN COCC1(C2CCC2)CN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598705461 346404756 /nfs/dbraw/zinc/40/47/56/346404756.db2.gz KBUFNVPDBBLRMI-CQSZACIVSA-N 0 3 280.412 2.036 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC[C@@H]2Cc3ccccc3CO2)C1 ZINC000599060510 346454419 /nfs/dbraw/zinc/45/44/19/346454419.db2.gz XRKXZCZOHUCVGH-MAZHCROVSA-N 0 3 256.349 2.410 20 30 CEEDHN Cc1c(Cl)cnc(N2C[C@@H](C)N[C@@H](C)C2)c1C#N ZINC000599107139 346461040 /nfs/dbraw/zinc/46/10/40/346461040.db2.gz ZYGBFUKLJSIIPC-DTORHVGOSA-N 0 3 264.760 2.102 20 30 CEEDHN COc1ccc(C#N)cc1N[C@H]1CCN(C)[C@H](C)C1 ZINC000602592763 347091616 /nfs/dbraw/zinc/09/16/16/347091616.db2.gz SYDCQZHRMYALEK-YPMHNXCESA-N 0 3 259.353 2.461 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)CC1(O)CCC1 ZINC000599440717 346521695 /nfs/dbraw/zinc/52/16/95/346521695.db2.gz ZJWWSMYFKJHRIE-CZUORRHYSA-N 0 3 288.391 2.217 20 30 CEEDHN CC(=O)NC[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599282856 346490694 /nfs/dbraw/zinc/49/06/94/346490694.db2.gz NQAHCTMHRFGHGJ-INIZCTEOSA-N 0 3 285.391 2.215 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCCC2(CC2)CC1 ZINC000599673783 346560599 /nfs/dbraw/zinc/56/05/99/346560599.db2.gz YVXCMHJOLYBWQF-ZDUSSCGKSA-N 0 3 275.396 2.203 20 30 CEEDHN N#CCc1cccc2c1CCN(C[C@@H]1CCNC(=O)CC1)C2 ZINC000599677709 346562247 /nfs/dbraw/zinc/56/22/47/346562247.db2.gz KBZJPGBGQLNNBU-AWEZNQCLSA-N 0 3 297.402 2.027 20 30 CEEDHN Cc1ccc(CN2C[C@H]3COC[C@@]3(C)C2)cc1C#N ZINC000599466922 346525339 /nfs/dbraw/zinc/52/53/39/346525339.db2.gz DKNBAHCOESINFL-JKSUJKDBSA-N 0 3 256.349 2.335 20 30 CEEDHN C[C@@H]1C[C@@H](CCNCc2cccc(C#N)n2)CCO1 ZINC000602611057 347101019 /nfs/dbraw/zinc/10/10/19/347101019.db2.gz USGUWXLLOKSYKC-OLZOCXBDSA-N 0 3 259.353 2.248 20 30 CEEDHN C[C@@H]1C[C@H](CCNCc2cccc(C#N)n2)CCO1 ZINC000602611056 347101060 /nfs/dbraw/zinc/10/10/60/347101060.db2.gz USGUWXLLOKSYKC-CHWSQXEVSA-N 0 3 259.353 2.248 20 30 CEEDHN C=CCC[C@H](O)CN1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599683062 346564160 /nfs/dbraw/zinc/56/41/60/346564160.db2.gz WTYHVANRZRRKNX-HOCLYGCPSA-N 0 3 289.375 2.086 20 30 CEEDHN CO[C@@H](CN1CCC(C)(C#N)CC1)C1CCOCC1 ZINC000602609858 347101273 /nfs/dbraw/zinc/10/12/73/347101273.db2.gz XTBZEVVUZOVXKR-AWEZNQCLSA-N 0 3 266.385 2.054 20 30 CEEDHN CCC(C#N)(CC)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000600084749 346595294 /nfs/dbraw/zinc/59/52/94/346595294.db2.gz FVQDZCJPLALECT-KBPBESRZSA-N 0 3 277.412 2.449 20 30 CEEDHN COc1cc(CN2C[C@@H]3CCC[C@]3(CO)C2)ccc1C#N ZINC000600206714 346622889 /nfs/dbraw/zinc/62/28/89/346622889.db2.gz HMFMEQRUXJBQRK-DOTOQJQBSA-N 0 3 286.375 2.161 20 30 CEEDHN COC(=O)[C@@H]1C[C@@H](C)N(CCCSCC#N)[C@@H](C)C1 ZINC000599689346 346567154 /nfs/dbraw/zinc/56/71/54/346567154.db2.gz PHUDQOUIVVVGCS-CLLJXQQHSA-N 0 3 284.425 2.295 20 30 CEEDHN N#CC1(C(=O)NCCCN2CCc3ccccc3C2)CCC1 ZINC000129216703 365837775 /nfs/dbraw/zinc/83/77/75/365837775.db2.gz SRTKGTMOHPONEU-UHFFFAOYSA-N 0 3 297.402 2.245 20 30 CEEDHN Cc1ccc(Cn2cc3c(n2)[C@H](N)CCC3)cc1C#N ZINC000600947252 346714352 /nfs/dbraw/zinc/71/43/52/346714352.db2.gz BBBLGKBYRSRAGV-OAHLLOKOSA-N 0 3 266.348 2.448 20 30 CEEDHN Cc1ccc(CN2CCNC[C@](C)(F)C2)cc1C#N ZINC000600710215 346676035 /nfs/dbraw/zinc/67/60/35/346676035.db2.gz MQRKSDYQWNVSIF-HNNXBMFYSA-N 0 3 261.344 2.000 20 30 CEEDHN CCCOc1ccc(CNC[C@H](O)CC2(C#N)CC2)cn1 ZINC000600721817 346678237 /nfs/dbraw/zinc/67/82/37/346678237.db2.gz MMHSTNUJEWIEKN-CQSZACIVSA-N 0 3 289.379 2.015 20 30 CEEDHN N#Cc1cnccc1CN1CCCc2cccc(CN)c21 ZINC000600724177 346678963 /nfs/dbraw/zinc/67/89/63/346678963.db2.gz XUVSEWWWWJYKTK-UHFFFAOYSA-N 0 3 278.359 2.365 20 30 CEEDHN COc1cc(C)ccc1CNC[C@H](O)CC1(C#N)CC1 ZINC000600731851 346680084 /nfs/dbraw/zinc/68/00/84/346680084.db2.gz VRCRLCPSNZFWTJ-CQSZACIVSA-N 0 3 274.364 2.148 20 30 CEEDHN Cc1ccc2c(c1)nc(CNC[C@H](O)CC1(C#N)CC1)n2C ZINC000600733366 346680685 /nfs/dbraw/zinc/68/06/85/346680685.db2.gz COSCXLPSEBSZGF-CYBMUJFWSA-N 0 3 298.390 2.026 20 30 CEEDHN Cc1cscc1CNC[C@H](O)CC1(C#N)CCOCC1 ZINC000600735305 346681604 /nfs/dbraw/zinc/68/16/04/346681604.db2.gz SJAOVJZVTBZQOC-CQSZACIVSA-N 0 3 294.420 2.218 20 30 CEEDHN N#CC1(C[C@@H](O)CNCc2ccnc(C(F)(F)F)c2)CC1 ZINC000600738767 346681990 /nfs/dbraw/zinc/68/19/90/346681990.db2.gz KVXOYOAYWOLECU-LLVKDONJSA-N 0 3 299.296 2.245 20 30 CEEDHN CCN(Cc1ccoc1)C(=O)[C@@H](N)CCCCC#N ZINC000600757213 346684986 /nfs/dbraw/zinc/68/49/86/346684986.db2.gz QRZDGAXYBSFPHV-ZDUSSCGKSA-N 0 3 263.341 2.039 20 30 CEEDHN C[C@@H]1C[C@H](Nc2ncc(C#N)c3ccsc32)CCN1C ZINC000601119827 346758515 /nfs/dbraw/zinc/75/85/15/346758515.db2.gz WVPJGUYGSKXPGL-ZYHUDNBSSA-N 0 3 286.404 2.484 20 30 CEEDHN CN(C(=O)c1ccccc1CC#N)[C@H]1CCN(C2CC2)C1 ZINC000601152844 346771488 /nfs/dbraw/zinc/77/14/88/346771488.db2.gz HJAWPIVACZRSJT-HNNXBMFYSA-N 0 3 283.375 2.061 20 30 CEEDHN C[C@@H](CCC#N)CN[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000602616009 347104958 /nfs/dbraw/zinc/10/49/58/347104958.db2.gz GTZPDSXNMIOMNX-ZFWWWQNUSA-N 0 3 294.420 2.302 20 30 CEEDHN CC[C@@H]1CN(C)CCCN1c1nc2ncccc2cc1C#N ZINC000601187972 346781629 /nfs/dbraw/zinc/78/16/29/346781629.db2.gz AINNPZDIDCQIFF-OAHLLOKOSA-N 0 3 295.390 2.422 20 30 CEEDHN Cc1ccc(CN2CC[C@@H](Nc3cnc(C#N)cn3)C2)cc1 ZINC000601250324 346801365 /nfs/dbraw/zinc/80/13/65/346801365.db2.gz LKGTTWJMPBTKAG-OAHLLOKOSA-N 0 3 293.374 2.343 20 30 CEEDHN CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CN2CCC1CC2 ZINC000601250735 346802000 /nfs/dbraw/zinc/80/20/00/346802000.db2.gz NTVCHWANONBOMW-HNNXBMFYSA-N 0 3 284.363 2.116 20 30 CEEDHN C=CCCCNCc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602642230 347119188 /nfs/dbraw/zinc/11/91/88/347119188.db2.gz BBZSZYQOCOWEPQ-UHFFFAOYSA-N 0 3 279.384 2.431 20 30 CEEDHN C[C@@H](CCC#N)CN[C@H](c1nccn1C)C(C)(C)CO ZINC000602678516 347140222 /nfs/dbraw/zinc/14/02/22/347140222.db2.gz DQGKMQUDXJUUMB-QWHCGFSZSA-N 0 3 278.400 2.009 20 30 CEEDHN COC[C@@H]1CCCN(Cc2cccc(C#N)n2)CC1 ZINC000602686136 347146507 /nfs/dbraw/zinc/14/65/07/347146507.db2.gz PCDRMLDOUYBBTI-CYBMUJFWSA-N 0 3 259.353 2.202 20 30 CEEDHN CN1c2ccccc2C[C@@H](NC2CCC(C#N)CC2)C1=O ZINC000602705146 347159475 /nfs/dbraw/zinc/15/94/75/347159475.db2.gz CXSJFGVOXYXFQA-PESDSKBTSA-N 0 3 283.375 2.246 20 30 CEEDHN N#CC[C@H]1CCCN(Cc2c[nH]c3ncncc23)C1 ZINC000602706916 347161048 /nfs/dbraw/zinc/16/10/48/347161048.db2.gz NDVPKYCEFNBCPP-LLVKDONJSA-N 0 3 255.325 2.035 20 30 CEEDHN Cc1nnsc1CNCC1CCC(C#N)CC1 ZINC000602657721 347126802 /nfs/dbraw/zinc/12/68/02/347126802.db2.gz RNFBVDSGVKHVJZ-UHFFFAOYSA-N 0 3 250.371 2.266 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@H]1CCOC1 ZINC000128485228 187373660 /nfs/dbraw/zinc/37/36/60/187373660.db2.gz DRDOSUIRAJMFAC-YPMHNXCESA-N 0 3 260.337 2.081 20 30 CEEDHN N#CCC1(CN2CCC(c3ccncn3)CC2)CC1 ZINC000602839021 347220094 /nfs/dbraw/zinc/22/00/94/347220094.db2.gz FRBYYHGVWTXCMA-UHFFFAOYSA-N 0 3 256.353 2.350 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H](n3ccnn3)CC2)cc1 ZINC000602887592 347239048 /nfs/dbraw/zinc/23/90/48/347239048.db2.gz HZRMSSKTHAJSPL-MRXNPFEDSA-N 0 3 281.363 2.377 20 30 CEEDHN Cc1c(NC(=O)C(C)C#N)c(=O)n(C2CCCCC2)n1C ZINC000603121921 347290913 /nfs/dbraw/zinc/29/09/13/347290913.db2.gz SZBZHJCLRAHNJT-SNVBAGLBSA-N 0 3 290.367 2.099 20 30 CEEDHN N#CCCOCCN1CCC(Cc2nccs2)CC1 ZINC000602954769 347256180 /nfs/dbraw/zinc/25/61/80/347256180.db2.gz HVCPUKSFWDEPNB-UHFFFAOYSA-N 0 3 279.409 2.328 20 30 CEEDHN N#CC1(NC(=O)CN2CCC[C@H](C3CCC3)CC2)CCC1 ZINC000602999938 347270449 /nfs/dbraw/zinc/27/04/49/347270449.db2.gz PWEOKPXNWZABFN-HNNXBMFYSA-N 0 3 289.423 2.451 20 30 CEEDHN Cc1csc(NC(=O)NCC2(N(C)C)CC2)c1C#N ZINC000603011728 347271981 /nfs/dbraw/zinc/27/19/81/347271981.db2.gz PHWHTEMSINQFRT-UHFFFAOYSA-N 0 3 278.381 2.144 20 30 CEEDHN COCc1cc(C#N)ccc1NC1CCN(C)CC1 ZINC000603267486 347325301 /nfs/dbraw/zinc/32/53/01/347325301.db2.gz AGPXROOMWAALSB-UHFFFAOYSA-N 0 3 259.353 2.211 20 30 CEEDHN CCC[C@H](N)c1cn(Cc2cc(C#N)ccc2F)nn1 ZINC000603195572 347304692 /nfs/dbraw/zinc/30/46/92/347304692.db2.gz WPUURVOZFCUERF-ZDUSSCGKSA-N 0 3 273.315 2.137 20 30 CEEDHN CC(C)(C)[C@H](N)c1cn(Cc2cc(F)ccc2C#N)nn1 ZINC000603219950 347312623 /nfs/dbraw/zinc/31/26/23/347312623.db2.gz LFFGUNGZAJWKQA-CQSZACIVSA-N 0 3 287.342 2.383 20 30 CEEDHN CC[C@@H](N)c1cn([C@H](C)c2cccc(C#N)c2)nn1 ZINC000603233261 347318076 /nfs/dbraw/zinc/31/80/76/347318076.db2.gz JAIXDSPMCDOTSS-ZWNOBZJWSA-N 0 3 255.325 2.169 20 30 CEEDHN N#Cc1cccc(CN2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000603662419 347382977 /nfs/dbraw/zinc/38/29/77/347382977.db2.gz ZSSJVXYZKMRWSN-GOSISDBHSA-N 0 3 299.418 2.245 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)c1sccc1C#N ZINC000609877696 347654552 /nfs/dbraw/zinc/65/45/52/347654552.db2.gz PBUZELRZAOASSP-LBPRGKRZSA-N 0 3 277.393 2.224 20 30 CEEDHN CC(C#N)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000610445938 347681945 /nfs/dbraw/zinc/68/19/45/347681945.db2.gz KVZKAYNKSYBQHP-HUUCEWRRSA-N 0 3 285.391 2.269 20 30 CEEDHN CCO[C@@H]1C[C@H](NC(=O)C(C)C#N)C12CCCCC2 ZINC000610492676 347685147 /nfs/dbraw/zinc/68/51/47/347685147.db2.gz GFZYJQRLADKZNJ-RWMBFGLXSA-N 0 3 264.369 2.390 20 30 CEEDHN CC(C)(CO)N1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000610575787 347693000 /nfs/dbraw/zinc/69/30/00/347693000.db2.gz SZROXRVFTQVZRF-UHFFFAOYSA-N 0 3 293.798 2.105 20 30 CEEDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(C#N)c1 ZINC000611386582 347772067 /nfs/dbraw/zinc/77/20/67/347772067.db2.gz OKRDIURWSIOQJU-LLVKDONJSA-N 0 3 285.307 2.014 20 30 CEEDHN C[C@@H](NCCOC[C@H]1CCOC1)c1ccc(C#N)c(F)c1 ZINC000611465728 347781946 /nfs/dbraw/zinc/78/19/46/347781946.db2.gz GGWUAHAIBVCBHI-OLZOCXBDSA-N 0 3 292.354 2.401 20 30 CEEDHN N#CC(C(=O)NC[C@H]1CCCO1)c1ccc2ccccc2n1 ZINC000611158153 347745621 /nfs/dbraw/zinc/74/56/21/347745621.db2.gz DMXSFTFAIFAWAI-KGLIPLIRSA-N 0 3 295.342 2.137 20 30 CEEDHN CN(C)CCOc1ccc(CN(CC#N)C2CC2)cc1 ZINC000611264945 347760126 /nfs/dbraw/zinc/76/01/26/347760126.db2.gz TXPXMQZHEJYCRU-UHFFFAOYSA-N 0 3 273.380 2.115 20 30 CEEDHN N#Cc1ccc(CN2CCN(C[C@H]3CCCOC3)CC2)cc1 ZINC000336856280 365927650 /nfs/dbraw/zinc/92/76/50/365927650.db2.gz LINQQYRSTKXFTL-GOSISDBHSA-N 0 3 299.418 2.102 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000130229487 365935889 /nfs/dbraw/zinc/93/58/89/365935889.db2.gz MUNQPOLFSYBCDP-CHWSQXEVSA-N 0 3 265.401 2.219 20 30 CEEDHN CC#CCCN(CCC(=O)OC)Cc1ccccc1 ZINC000613170732 347987653 /nfs/dbraw/zinc/98/76/53/347987653.db2.gz OEJGTUGUSDOMQL-UHFFFAOYSA-N 0 3 259.349 2.465 20 30 CEEDHN C=C[C@](C)(O)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000613838353 348112754 /nfs/dbraw/zinc/11/27/54/348112754.db2.gz AQDWWDGKSHMXQL-LXZKKBNFSA-N 0 3 290.407 2.039 20 30 CEEDHN N#CCNC(=O)CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000066473352 362867556 /nfs/dbraw/zinc/86/75/56/362867556.db2.gz JJZKTKBQUSATEU-QGZVFWFLSA-N 0 3 293.370 2.200 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc2c(cc1SC)OCCO2 ZINC000273361590 192127423 /nfs/dbraw/zinc/12/74/23/192127423.db2.gz CRFUKVZGDPTDJT-LBPRGKRZSA-N 0 3 295.404 2.206 20 30 CEEDHN Cc1c(Cl)cnc(NC[C@@H](C)N(C)C)c1C#N ZINC000273404014 192139860 /nfs/dbraw/zinc/13/98/60/192139860.db2.gz WQSMVGJPPJTHQA-MRVPVSSYSA-N 0 3 252.749 2.277 20 30 CEEDHN CC#CCCCC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000617925339 348825947 /nfs/dbraw/zinc/82/59/47/348825947.db2.gz JVCMWTNDWVUSIB-AWEZNQCLSA-N 0 3 250.386 2.123 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(CC)[C@H]1CCN(CC)C1)OCC ZINC000617927264 348826805 /nfs/dbraw/zinc/82/68/05/348826805.db2.gz UKEMNJJDZSRWCN-GJZGRUSLSA-N 0 3 282.428 2.300 20 30 CEEDHN C[C@@H]1[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)CCCN1C ZINC000357472661 233077225 /nfs/dbraw/zinc/07/72/25/233077225.db2.gz KDBCMWVGSDCCCK-MFKMUULPSA-N 0 3 274.324 2.361 20 30 CEEDHN Cc1cc(CNCCOC[C@@H]2CCOC2)ccc1C#N ZINC000618193523 348898549 /nfs/dbraw/zinc/89/85/49/348898549.db2.gz VVGNAVKVYHCQMC-OAHLLOKOSA-N 0 3 274.364 2.009 20 30 CEEDHN CC(C)(C)CN(CCC#N)C[C@H]1CNc2ccnn2C1 ZINC000619265020 349149018 /nfs/dbraw/zinc/14/90/18/349149018.db2.gz ODFCLMOULFIFNW-CYBMUJFWSA-N 0 3 275.400 2.187 20 30 CEEDHN CCc1cccc(F)c1CNC1CCN(CC#N)CC1 ZINC000619426331 349178114 /nfs/dbraw/zinc/17/81/14/349178114.db2.gz TZVLSBKKRWVRFH-UHFFFAOYSA-N 0 3 275.371 2.466 20 30 CEEDHN CN1CCC[C@@H](NC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000619434958 349180133 /nfs/dbraw/zinc/18/01/33/349180133.db2.gz ULSGKAPSKONBQL-JKSUJKDBSA-N 0 3 285.391 2.284 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339624999 215275458 /nfs/dbraw/zinc/27/54/58/215275458.db2.gz VOICHFWBWCEJDO-STQMWFEESA-N 0 3 273.380 2.091 20 30 CEEDHN C[C@H]1OCC[C@H]1NCc1ccc(C#N)c(Cl)c1 ZINC000619748599 349232405 /nfs/dbraw/zinc/23/24/05/349232405.db2.gz JPEXYBJGNOKRLK-NOZJJQNGSA-N 0 3 250.729 2.479 20 30 CEEDHN CN(C)CCOc1ccc(CNCC2(C#N)CC2)cc1 ZINC000619535233 349195345 /nfs/dbraw/zinc/19/53/45/349195345.db2.gz YXQSMPSSPMAKLR-UHFFFAOYSA-N 0 3 273.380 2.020 20 30 CEEDHN C=CCCOCC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000620224235 349324296 /nfs/dbraw/zinc/32/42/96/349324296.db2.gz ICEVZASQKBHHPR-UHFFFAOYSA-N 0 3 292.379 2.158 20 30 CEEDHN CC(C)N1CCCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000068776800 362947146 /nfs/dbraw/zinc/94/71/46/362947146.db2.gz AGPIPUOQXXYQIB-UHFFFAOYSA-N 0 3 285.391 2.043 20 30 CEEDHN C=CCCOCC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000620723127 349425491 /nfs/dbraw/zinc/42/54/91/349425491.db2.gz LULYIMOGXPYYGY-MRXNPFEDSA-N 0 3 290.407 2.307 20 30 CEEDHN CC(=O)CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715981 186018729 /nfs/dbraw/zinc/01/87/29/186018729.db2.gz SPQJSUMIOBVUCQ-UHFFFAOYSA-N 0 3 272.348 2.381 20 30 CEEDHN N#Cc1csc(CN2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000092070808 180317803 /nfs/dbraw/zinc/31/78/03/180317803.db2.gz CBCYJWRLXQZLKP-GFCCVEGCSA-N 0 3 287.392 2.123 20 30 CEEDHN COCCCN(CCOC)Cc1cc(C#N)cs1 ZINC000092221353 180346167 /nfs/dbraw/zinc/34/61/67/180346167.db2.gz IHAZQPLEDVSLPR-UHFFFAOYSA-N 0 3 268.382 2.105 20 30 CEEDHN CC(C)CN(CCn1cncn1)Cc1ccc(C#N)cc1 ZINC000339726707 215317914 /nfs/dbraw/zinc/31/79/14/215317914.db2.gz SHGWDZUZLSXXDO-UHFFFAOYSA-N 0 3 283.379 2.308 20 30 CEEDHN C=C(C)CN1CCC(Nc2cc(=O)n3ccccc3n2)CC1 ZINC000106066307 186100514 /nfs/dbraw/zinc/10/05/14/186100514.db2.gz LWEUWXVPUGBZCZ-UHFFFAOYSA-N 0 3 298.390 2.147 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)NCCOCCC(C)C)C1 ZINC000625703573 350551945 /nfs/dbraw/zinc/55/19/45/350551945.db2.gz NGPWABDAWMIXKD-HNNXBMFYSA-N 0 3 282.428 2.063 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000625974292 350618589 /nfs/dbraw/zinc/61/85/89/350618589.db2.gz VTZNPUXAJZFVES-YTFOTSKYSA-N 0 3 282.428 2.201 20 30 CEEDHN C=CCOc1cccc(CN2C[C@H](O)[C@H](CC)C2)c1 ZINC000271398678 191115328 /nfs/dbraw/zinc/11/53/28/191115328.db2.gz VGVUPPMOUCMSMS-ZBFHGGJFSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCC[C@H](O)CN[C@H](c1ccc(OC)nc1)C1CC1 ZINC000626180116 350679802 /nfs/dbraw/zinc/67/98/02/350679802.db2.gz QEXBQXUOSWISTD-HOCLYGCPSA-N 0 3 276.380 2.458 20 30 CEEDHN C=CC(C)(C)CCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000628313421 351058638 /nfs/dbraw/zinc/05/86/38/351058638.db2.gz OOTNODGOVNHMDE-ZDUSSCGKSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCCC(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000629417112 351357002 /nfs/dbraw/zinc/35/70/02/351357002.db2.gz BNGOQOHMUDWJRR-UHFFFAOYSA-N 0 3 280.412 2.056 20 30 CEEDHN C=CCN1CC[C@@H](N[C@H](C)c2ccc(OC)cc2)C1=O ZINC000337196376 366067901 /nfs/dbraw/zinc/06/79/01/366067901.db2.gz XKEIGVKOHSWZSZ-IUODEOHRSA-N 0 3 274.364 2.133 20 30 CEEDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc(C#N)cc2)CCN1C ZINC000122923917 187059734 /nfs/dbraw/zinc/05/97/34/187059734.db2.gz KIHUUBWBEUUXMO-SWLSCSKDSA-N 0 3 271.364 2.113 20 30 CEEDHN C=C[C@H](C)NCc1ccc(OCCN2CCOCC2)cc1 ZINC000631088616 351957309 /nfs/dbraw/zinc/95/73/09/351957309.db2.gz OZEXKZYUTWBABI-HNNXBMFYSA-N 0 3 290.407 2.062 20 30 CEEDHN C=CCCOCCNCc1cccc(NC(C)=O)c1 ZINC000631100935 351962907 /nfs/dbraw/zinc/96/29/07/351962907.db2.gz GXDLZELUROTARO-UHFFFAOYSA-N 0 3 262.353 2.327 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccnn1CC1CCC1 ZINC000631154081 351990330 /nfs/dbraw/zinc/99/03/30/351990330.db2.gz PXFHLAYQCPUOMH-CQSZACIVSA-N 0 3 263.385 2.100 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1conc1C)C(C)C ZINC000631273987 352047738 /nfs/dbraw/zinc/04/77/38/352047738.db2.gz FSLPUYZAPNWMOJ-OAHLLOKOSA-N 0 3 291.395 2.411 20 30 CEEDHN CC(C)C[C@H]1CCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000072492566 363138588 /nfs/dbraw/zinc/13/85/88/363138588.db2.gz NWEAABIDWVEUQL-OAHLLOKOSA-N 0 3 290.411 2.010 20 30 CEEDHN N#CCCCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664979 363155925 /nfs/dbraw/zinc/15/59/25/363155925.db2.gz NLCDBFMKQOTIFT-LBPRGKRZSA-N 0 3 289.339 2.170 20 30 CEEDHN CC(C)COCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292137723 198178323 /nfs/dbraw/zinc/17/83/23/198178323.db2.gz JFVRZDCEPTZQNZ-HNNXBMFYSA-N 0 3 289.379 2.079 20 30 CEEDHN Cc1csc(=O)n1CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000271658777 191264155 /nfs/dbraw/zinc/26/41/55/191264155.db2.gz KRXADOZVHUGQPW-LBPRGKRZSA-N 0 3 287.388 2.441 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N(CC)CCc1ccccc1 ZINC000154066281 188120356 /nfs/dbraw/zinc/12/03/56/188120356.db2.gz DZTQKQQAOFNNCN-CQSZACIVSA-N 0 3 260.381 2.242 20 30 CEEDHN C=CCN(C)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000154777339 188161672 /nfs/dbraw/zinc/16/16/72/188161672.db2.gz PLBRDUIUPSZYQK-LBPRGKRZSA-N 0 3 263.337 2.245 20 30 CEEDHN CCOC1(C)CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000292701126 198381997 /nfs/dbraw/zinc/38/19/97/198381997.db2.gz CIAFOXBYHIHILL-UHFFFAOYSA-N 0 3 261.369 2.288 20 30 CEEDHN N#Cc1cccc(CCNC(=O)[C@@H](C2CC2)N2CCCC2)c1 ZINC000340104298 215457036 /nfs/dbraw/zinc/45/70/36/215457036.db2.gz LEFRAGLAKRFXHG-QGZVFWFLSA-N 0 3 297.402 2.091 20 30 CEEDHN C=CCN1CC[C@H](N(CCO)C2CCC(CC)CC2)C1=O ZINC000337266977 366114196 /nfs/dbraw/zinc/11/41/96/366114196.db2.gz ZRCAQULNNLNZNH-GPANFISMSA-N 0 3 294.439 2.036 20 30 CEEDHN CCN(C)C(=O)CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000271720735 191290605 /nfs/dbraw/zinc/29/06/05/191290605.db2.gz XPOYJNBIRWFCTH-LBPRGKRZSA-N 0 3 259.353 2.077 20 30 CEEDHN CCCN1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000074258616 363316003 /nfs/dbraw/zinc/31/60/03/363316003.db2.gz QQGBUVBPHOUVHV-UHFFFAOYSA-N 0 3 288.351 2.389 20 30 CEEDHN C=CCCc1ccccc1NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000337533099 366158766 /nfs/dbraw/zinc/15/87/66/366158766.db2.gz FHJTXQQEBPPEAW-KRWDZBQOSA-N 0 3 299.418 2.134 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1C[C@H](C)C[C@@H]1CC ZINC000075022567 363435053 /nfs/dbraw/zinc/43/50/53/363435053.db2.gz XBRFLPKCMLGRKE-KGLIPLIRSA-N 0 3 250.386 2.307 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(C#N)cc2)CC1 ZINC000171728438 188756541 /nfs/dbraw/zinc/75/65/41/188756541.db2.gz GHNJRIMSIBQGBU-UHFFFAOYSA-N 0 3 297.402 2.257 20 30 CEEDHN CN1CC=C(CNc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000271767223 191314474 /nfs/dbraw/zinc/31/44/74/191314474.db2.gz FQEAUJJNGMVWTP-UHFFFAOYSA-N 0 3 272.308 2.140 20 30 CEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCC[C@H]2C#N)C1 ZINC000329611142 283094457 /nfs/dbraw/zinc/09/44/57/283094457.db2.gz DFALLMKIVOWFQW-GBJTYRQASA-N 0 3 290.411 2.009 20 30 CEEDHN CCCN(CC(=O)N[C@](C)(C#N)C(C)C)CC(C)C ZINC000346603942 283105205 /nfs/dbraw/zinc/10/52/05/283105205.db2.gz OGVGFAPMIWXWNR-OAHLLOKOSA-N 0 3 267.417 2.409 20 30 CEEDHN C[C@@](O)(CNCc1ccc(C#N)o1)c1ccccc1 ZINC000174395659 188896908 /nfs/dbraw/zinc/89/69/08/188896908.db2.gz TXXNBFWVVZRXTQ-OAHLLOKOSA-N 0 3 256.305 2.149 20 30 CEEDHN CN1CC[C@H](Nc2ccc(C#N)nn2)[C@@H]1c1ccccc1 ZINC000301914595 283142920 /nfs/dbraw/zinc/14/29/20/283142920.db2.gz DAPUWNRHWOZOIX-HOCLYGCPSA-N 0 3 279.347 2.206 20 30 CEEDHN COc1ccc(CNC[C@H](CO)c2ccccc2)cc1C#N ZINC000175049205 188930809 /nfs/dbraw/zinc/93/08/09/188930809.db2.gz SQCJHUAUTVUUTD-QGZVFWFLSA-N 0 3 296.370 2.433 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000133648825 366244242 /nfs/dbraw/zinc/24/42/42/366244242.db2.gz YZWHZKFUEATXHO-DOTOQJQBSA-N 0 3 297.402 2.423 20 30 CEEDHN C=CCN1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000075862141 363496381 /nfs/dbraw/zinc/49/63/81/363496381.db2.gz XLHSKDYSQXJUNS-NSHDSACASA-N 0 3 278.318 2.295 20 30 CEEDHN CC1CCC(N2CCN(c3cc(C#N)ncn3)CC2)CC1 ZINC000577816312 366400490 /nfs/dbraw/zinc/40/04/90/366400490.db2.gz IMGMURVCVTUSMT-UHFFFAOYSA-N 0 3 285.395 2.049 20 30 CEEDHN C=C(C)COCCNC(=O)NCCN1CCCC[C@@H]1CC ZINC000135038867 366388888 /nfs/dbraw/zinc/38/88/88/366388888.db2.gz OVQXSLZCGRQIOX-HNNXBMFYSA-N 0 3 297.443 2.143 20 30 CEEDHN N#CC[C@@H]1CC[C@H](NCCS(=O)(=O)c2ccccc2)C1 ZINC000578006486 366428890 /nfs/dbraw/zinc/42/88/90/366428890.db2.gz HLLKMOIOMHNXKM-KBPBESRZSA-N 0 3 292.404 2.132 20 30 CEEDHN C[C@@H](CNC[C@H](C#N)CCC#N)N1CCC(C)CC1 ZINC000578316336 366476894 /nfs/dbraw/zinc/47/68/94/366476894.db2.gz XEUFXEQYRQTBIV-GJZGRUSLSA-N 0 3 262.401 2.140 20 30 CEEDHN CCN(CC)CCSc1ccc(C(=O)OC)nc1C#N ZINC000578582917 366514267 /nfs/dbraw/zinc/51/42/67/366514267.db2.gz ASUNAAQYOCLBKB-UHFFFAOYSA-N 0 3 293.392 2.174 20 30 CEEDHN CC(C)(C)N1C[C@H](NCc2ccc(C#N)cc2)CC1=O ZINC000080235542 363650406 /nfs/dbraw/zinc/65/04/06/363650406.db2.gz WTDYLVBOTVRMJP-CQSZACIVSA-N 0 3 271.364 2.047 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC[C@H](Oc2ccccc2OC)C1 ZINC000671732660 540494727 /nfs/dbraw/zinc/49/47/27/540494727.db2.gz HXYVBAVYGCUGLU-LSDHHAIUSA-N 0 3 291.391 2.475 20 30 CEEDHN C[C@H](N[C@H]1CCO[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000149451751 366589836 /nfs/dbraw/zinc/58/98/36/366589836.db2.gz VJWXIRQELISQRE-ZOWXZIJZSA-N 0 3 260.337 2.417 20 30 CEEDHN CCC[C@@]1(NCc2cnc3ccc(C#N)cn23)CCOC1 ZINC000579527806 366658579 /nfs/dbraw/zinc/65/85/79/366658579.db2.gz NZBWMISHJCRXII-MRXNPFEDSA-N 0 3 284.363 2.255 20 30 CEEDHN CC(C)(C)[S@@](=O)CCNCc1ccc(C#N)s1 ZINC000176971374 189017190 /nfs/dbraw/zinc/01/71/90/189017190.db2.gz GSRNGTDGKAUKQJ-KRWDZBQOSA-N 0 3 270.423 2.257 20 30 CEEDHN CCN(Cc1cnc2c(C#N)cnn2c1)CC(C)C ZINC000571404466 299308175 /nfs/dbraw/zinc/30/81/75/299308175.db2.gz QVLYLJLWHXUEJW-UHFFFAOYSA-N 0 3 257.341 2.079 20 30 CEEDHN C#CCOc1ccc(CN2CCC(C)(O)CC2)cc1 ZINC000179725266 189216573 /nfs/dbraw/zinc/21/65/73/189216573.db2.gz IFMUMTHWIDJIIK-UHFFFAOYSA-N 0 3 259.349 2.045 20 30 CEEDHN C#CCCOc1ccc(CN2CCC(C)(O)CC2)cc1 ZINC000179725255 189216770 /nfs/dbraw/zinc/21/67/70/189216770.db2.gz VJYFJSAKSWGDPN-UHFFFAOYSA-N 0 3 273.376 2.436 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1C[C@H](C)c2c1cccc2C ZINC000180035646 189233664 /nfs/dbraw/zinc/23/36/64/189233664.db2.gz JMBUACJYLHCYSY-GXTWGEPZSA-N 0 3 258.365 2.435 20 30 CEEDHN C=CCNC(=O)CN[C@@H](CC)c1ccc(F)cc1 ZINC000180034355 189233730 /nfs/dbraw/zinc/23/37/30/189233730.db2.gz KKOWOROGXALKON-ZDUSSCGKSA-N 0 3 250.317 2.169 20 30 CEEDHN CCC#C[C@H](C)N1CCC2(CC1)[C@H](OCC)C[C@@H]2O ZINC000677048450 540975797 /nfs/dbraw/zinc/97/57/97/540975797.db2.gz XVQRIGFOJOYWBS-SOUVJXGZSA-N 0 3 265.397 2.040 20 30 CEEDHN CCCN(CCN1CCCC1)Cc1ccc(C#N)cn1 ZINC000581497553 366786886 /nfs/dbraw/zinc/78/68/86/366786886.db2.gz ZQFLQTIGSMNIFM-UHFFFAOYSA-N 0 3 272.396 2.261 20 30 CEEDHN C=C(C)[C@H](CO)N(C)Cc1cc(OC)cc(OC)c1 ZINC000678049066 541072462 /nfs/dbraw/zinc/07/24/62/541072462.db2.gz CLODYACJOBBYSJ-HNNXBMFYSA-N 0 3 265.353 2.073 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)c1cccc(C#N)c1 ZINC000027742743 361658649 /nfs/dbraw/zinc/65/86/49/361658649.db2.gz PISFEKNXVGZKLM-ZDUSSCGKSA-N 0 3 271.364 2.162 20 30 CEEDHN C=C(C)[C@H](CO)N[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000678757033 541169166 /nfs/dbraw/zinc/16/91/66/541169166.db2.gz VLESFDDLNFRHCO-KBPBESRZSA-N 0 3 277.364 2.436 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000678761413 541169554 /nfs/dbraw/zinc/16/95/54/541169554.db2.gz DVLIUWMZXMOWQF-CZUORRHYSA-N 0 3 288.391 2.401 20 30 CEEDHN COc1ccc(CN[C@H](CO)CC(C)C)cc1C#N ZINC000087823902 363870378 /nfs/dbraw/zinc/87/03/78/363870378.db2.gz YHPLYZXPOLYKTB-AWEZNQCLSA-N 0 3 262.353 2.063 20 30 CEEDHN COc1ccccc1C[C@@H](C)N(C)C(=O)C(C)C#N ZINC000088202911 363882201 /nfs/dbraw/zinc/88/22/01/363882201.db2.gz AGGPXEROANCIKP-NWDGAFQWSA-N 0 3 260.337 2.244 20 30 CEEDHN COC[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000093338074 364166177 /nfs/dbraw/zinc/16/61/77/364166177.db2.gz FWZKGYLHCQXNBM-LLVKDONJSA-N 0 3 250.367 2.478 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000335091462 364464412 /nfs/dbraw/zinc/46/44/12/364464412.db2.gz NAXKUQBNZFUIJK-GOEBONIOSA-N 0 3 283.375 2.033 20 30 CEEDHN CCCCN(CC)CC(=O)N(CC)C[C@H](C)C#N ZINC000097478258 364506822 /nfs/dbraw/zinc/50/68/22/364506822.db2.gz POKAHBRGWDSUIC-CYBMUJFWSA-N 0 3 253.390 2.117 20 30 CEEDHN C=CC1CCN(C(=O)CC2CCN(C)CC2)CC1 ZINC000335164608 364563145 /nfs/dbraw/zinc/56/31/45/364563145.db2.gz AGZBELWOYXDVMI-UHFFFAOYSA-N 0 3 250.386 2.143 20 30 CEEDHN C[C@@H]1C[C@]1(C#N)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000335155645 364552108 /nfs/dbraw/zinc/55/21/08/364552108.db2.gz MTKQMGXCESLKFJ-CZUORRHYSA-N 0 3 275.396 2.013 20 30 CEEDHN CC#CCN1CCC(C(=O)N2CCCCCC2)CC1 ZINC000158619283 366858794 /nfs/dbraw/zinc/85/87/94/366858794.db2.gz RXVQTUROKNQEDJ-UHFFFAOYSA-N 0 3 262.397 2.124 20 30 CEEDHN C[C@@H]1COCCN1C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000582100676 366861107 /nfs/dbraw/zinc/86/11/07/366861107.db2.gz LSESUOSFSJWWDF-OAHLLOKOSA-N 0 3 299.418 2.243 20 30 CEEDHN C=CCCC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000102647688 364604175 /nfs/dbraw/zinc/60/41/75/364604175.db2.gz NNZDEAKXWVQWRZ-HUUCEWRRSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(C)[C@@H](CO)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000680110086 541368399 /nfs/dbraw/zinc/36/83/99/541368399.db2.gz UXAKZOYVIPLQQV-LSDHHAIUSA-N 0 3 265.328 2.216 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)c1sccc1C#N ZINC000103451040 364654871 /nfs/dbraw/zinc/65/48/71/364654871.db2.gz BVNZKZKCPDFZIF-UHFFFAOYSA-N 0 3 277.393 2.034 20 30 CEEDHN CCN1CCCC[C@@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000104241727 364688596 /nfs/dbraw/zinc/68/85/96/364688596.db2.gz IJYARLIVEGFEBR-OAHLLOKOSA-N 0 3 271.364 2.049 20 30 CEEDHN C=CC1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000335393131 364698589 /nfs/dbraw/zinc/69/85/89/364698589.db2.gz BUCQPLDKOXIBNU-INIZCTEOSA-N 0 3 270.376 2.298 20 30 CEEDHN N#Cc1ccccc1N1CCC[C@H](NCc2cncnc2)C1 ZINC000109077703 364717586 /nfs/dbraw/zinc/71/75/86/364717586.db2.gz ONLQCFZOGDHGGT-INIZCTEOSA-N 0 3 293.374 2.107 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H](O)CC23CCC3)cc1 ZINC000335611199 212323753 /nfs/dbraw/zinc/32/37/53/212323753.db2.gz PTZPSKFVWSSVCO-OAHLLOKOSA-N 0 3 256.349 2.438 20 30 CEEDHN COC[C@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000112989254 364864942 /nfs/dbraw/zinc/86/49/42/364864942.db2.gz JMCAKUJRLWXJIU-HNNXBMFYSA-N 0 3 274.364 2.295 20 30 CEEDHN CC(C)(O)[C@@H]1CCCN1Cc1cccc(C#N)c1F ZINC000335746839 364922219 /nfs/dbraw/zinc/92/22/19/364922219.db2.gz ZNPUIMUSSVYDHN-ZDUSSCGKSA-N 0 3 262.328 2.433 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)CCc1ccc(C#N)cc1 ZINC000115437730 365006047 /nfs/dbraw/zinc/00/60/47/365006047.db2.gz JCGNCMIWSFEFLI-QGZVFWFLSA-N 0 3 299.418 2.291 20 30 CEEDHN C=CCNC(=O)CN1C[C@H](c2ccccc2)C[C@@H]1C ZINC000115554851 365013166 /nfs/dbraw/zinc/01/31/66/365013166.db2.gz NVKRFMYPSFMCDD-DZGCQCFKSA-N 0 3 258.365 2.167 20 30 CEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(C#N)cs1 ZINC000335917206 365158166 /nfs/dbraw/zinc/15/81/66/365158166.db2.gz DVKJKWWUJVNSEY-YPMHNXCESA-N 0 3 289.404 2.319 20 30 CEEDHN C[C@H]1CCN(C)CCN1C(=O)Nc1ccc(C#N)cc1 ZINC000335933014 365179543 /nfs/dbraw/zinc/17/95/43/365179543.db2.gz HDFMGMONLZCUFA-LBPRGKRZSA-N 0 3 272.352 2.116 20 30 CEEDHN C[C@@H]1CN(Cc2cccc(C#N)c2F)[C@@H](C)CN1C ZINC000335951398 365208189 /nfs/dbraw/zinc/20/81/89/365208189.db2.gz VXBGHFAXWKDSST-NEPJUHHUSA-N 0 3 261.344 2.222 20 30 CEEDHN CO[C@]1(C)CCCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000336074800 365372715 /nfs/dbraw/zinc/37/27/15/365372715.db2.gz YPFQAVVLOXJHQD-OAHLLOKOSA-N 0 3 261.369 2.288 20 30 CEEDHN C[C@@H]1[C@@H](C)N(Cc2ccc(F)c(C#N)c2)CCN1C ZINC000336126064 365445377 /nfs/dbraw/zinc/44/53/77/365445377.db2.gz SFEJOEPQIHUDKU-VXGBXAGGSA-N 0 3 261.344 2.222 20 30 CEEDHN C[C@H](O)C[C@@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000159231914 366891065 /nfs/dbraw/zinc/89/10/65/366891065.db2.gz WZEWWROOIGJXOO-FZMZJTMJSA-N 0 3 262.328 2.433 20 30 CEEDHN CN(C(=O)C(C#N)CCc1ccccc1)[C@@H]1CCCOC1 ZINC000340897830 367079906 /nfs/dbraw/zinc/07/99/06/367079906.db2.gz KHOQTZCOJNGMHL-JKSUJKDBSA-N 0 3 286.375 2.396 20 30 CEEDHN Cc1nn(C)c(C)c1CNCCOc1ccc(C#N)cc1 ZINC000161138774 367061020 /nfs/dbraw/zinc/06/10/20/367061020.db2.gz JCCOUECBJJFMCY-UHFFFAOYSA-N 0 3 284.363 2.077 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000357834231 370830955 /nfs/dbraw/zinc/83/09/55/370830955.db2.gz QPQMYZOJPZLBFW-WDEREUQCSA-N 0 3 285.347 2.372 20 30 CEEDHN C[C@H](Nc1cc(C#N)ncn1)[C@@H](c1ccccc1)N(C)C ZINC000588037189 367190279 /nfs/dbraw/zinc/19/02/79/367190279.db2.gz UTQZIVHKIOGZGR-LRDDRELGSA-N 0 3 281.363 2.452 20 30 CEEDHN CC(C)(CCC#N)CNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000588361283 367192527 /nfs/dbraw/zinc/19/25/27/367192527.db2.gz PQQSLWWADOZSCU-AWEZNQCLSA-N 0 3 292.427 2.100 20 30 CEEDHN CC(C)C[C@@H](C)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000163066783 367216444 /nfs/dbraw/zinc/21/64/44/367216444.db2.gz ATZWDNFKBZWBLU-CYBMUJFWSA-N 0 3 294.420 2.356 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000342407347 367407025 /nfs/dbraw/zinc/40/70/25/367407025.db2.gz LYONBQBMZNSTDW-GZBFAFLISA-N 0 3 263.385 2.011 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000342605108 367448720 /nfs/dbraw/zinc/44/87/20/367448720.db2.gz ZZAUTEKJTXRGII-VXGBXAGGSA-N 0 3 250.386 2.330 20 30 CEEDHN C=CCCN(C)CC(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000342735632 367506531 /nfs/dbraw/zinc/50/65/31/367506531.db2.gz IFWCZDQVXPCKMJ-UHFFFAOYSA-N 0 3 294.370 2.301 20 30 CEEDHN C=CCCN(C)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000342735197 367506548 /nfs/dbraw/zinc/50/65/48/367506548.db2.gz OQYQREAJULQDPX-MELADBBJSA-N 0 3 252.402 2.387 20 30 CEEDHN C=CCCN(C)CCc1nc2ccccc2c(=O)[nH]1 ZINC000342736404 367507697 /nfs/dbraw/zinc/50/76/97/367507697.db2.gz QEDOUZISDTUDNP-UHFFFAOYSA-N 0 3 257.337 2.386 20 30 CEEDHN Cc1cc(C#N)cc(NC[C@@H]2N(C)CCCC2(C)C)n1 ZINC000343054805 367649260 /nfs/dbraw/zinc/64/92/60/367649260.db2.gz PVFHEABKSQPQGE-AWEZNQCLSA-N 0 3 272.396 2.216 20 30 CEEDHN CCN(CCNC(=O)Nc1cc(C#N)ccc1C)C1CC1 ZINC000171892076 367634849 /nfs/dbraw/zinc/63/48/49/367634849.db2.gz XPNXCZXUJQXVLC-UHFFFAOYSA-N 0 3 286.379 2.473 20 30 CEEDHN Cc1cc(CCNC(=O)C(C#N)CCc2ccccc2)on1 ZINC000343109597 367673080 /nfs/dbraw/zinc/67/30/80/367673080.db2.gz VECPEXVPPSIQPF-OAHLLOKOSA-N 0 3 297.358 2.414 20 30 CEEDHN N#Cc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)nc1 ZINC000172414163 367738617 /nfs/dbraw/zinc/73/86/17/367738617.db2.gz KUVVEOXCCDKFMN-UHFFFAOYSA-N 0 3 298.390 2.044 20 30 CEEDHN CC[C@@H](C)N[C@H](CNc1nccnc1C#N)c1ccco1 ZINC000343279977 367740994 /nfs/dbraw/zinc/74/09/94/367740994.db2.gz YQNSGSMJRNCKHZ-DGCLKSJQSA-N 0 3 285.351 2.483 20 30 CEEDHN CN(Cc1ccc(C#N)s1)C[C@H]1CCC[C@H]1O ZINC000245719606 370863499 /nfs/dbraw/zinc/86/34/99/370863499.db2.gz DFWIYGFAIPPLJG-ZWNOBZJWSA-N 0 3 250.367 2.213 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1C[C@@H]1c1ccc(OC(F)F)cc1 ZINC000358072548 370893491 /nfs/dbraw/zinc/89/34/91/370893491.db2.gz KEYWWSIRGPHXIZ-FXAINCCUSA-N 0 3 280.274 2.420 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1cccc(F)c1C#N ZINC000343539638 367872092 /nfs/dbraw/zinc/87/20/92/367872092.db2.gz FGCYLEIYZAPGKS-LBPRGKRZSA-N 0 3 289.354 2.302 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C[C@@H](C)CC2CCOCC2)C1=O ZINC000343626282 367925963 /nfs/dbraw/zinc/92/59/63/367925963.db2.gz SRSKMGBFSLEPFV-GOEBONIOSA-N 0 3 294.439 2.158 20 30 CEEDHN CC(C#N)C(=O)NCc1ncoc1-c1ccccc1 ZINC000343711647 367967236 /nfs/dbraw/zinc/96/72/36/367967236.db2.gz TWZPJRDGKKCLJC-JTQLQIEISA-N 0 3 255.277 2.117 20 30 CEEDHN CC(=O)C[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000343876284 368053832 /nfs/dbraw/zinc/05/38/32/368053832.db2.gz VJXQHSUSMDKPDL-WFASDCNBSA-N 0 3 272.348 2.243 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000344484369 368125540 /nfs/dbraw/zinc/12/55/40/368125540.db2.gz NJZHNFFYINZNNL-LXTVHRRPSA-N 0 3 294.439 2.225 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc(F)cc2C#N)CCCN1C ZINC000345248946 368207381 /nfs/dbraw/zinc/20/73/81/368207381.db2.gz 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CEEDHN C=CCOCCCN[C@@H](CC(=O)NC)c1ccccc1 ZINC000361634310 371990967 /nfs/dbraw/zinc/99/09/67/371990967.db2.gz AMFJWQJFCQOYOF-HNNXBMFYSA-N 0 3 276.380 2.046 20 30 CEEDHN C=CCN(CCOC)Cc1cn(-c2ccncc2)nc1C ZINC000361641890 371996052 /nfs/dbraw/zinc/99/60/52/371996052.db2.gz DZNFCHKCTIKJRE-UHFFFAOYSA-N 0 3 286.379 2.210 20 30 CEEDHN N#Cc1ccc(N2CCN(CC3CCOCC3)CC2)cc1 ZINC000265480999 372022092 /nfs/dbraw/zinc/02/20/92/372022092.db2.gz HILQKJSQKGGZGA-UHFFFAOYSA-N 0 3 285.391 2.107 20 30 CEEDHN Cn1cc(CNC[C@@](C)(CO)Cc2ccccc2)cc1C#N ZINC000361736511 372045435 /nfs/dbraw/zinc/04/54/35/372045435.db2.gz VMVUAAZGPLSPJN-SFHVURJKSA-N 0 3 297.402 2.228 20 30 CEEDHN CCN1CCCC[C@@H]1CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000268498417 372118489 /nfs/dbraw/zinc/11/84/89/372118489.db2.gz PPYKXPNEQGFDRN-GFCCVEGCSA-N 0 3 289.339 2.148 20 30 CEEDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ncc(C#N)cc1Cl ZINC000267539708 372075916 /nfs/dbraw/zinc/07/59/16/372075916.db2.gz BZWORVWGLADRJY-GXFFZTMASA-N 0 3 278.787 2.383 20 30 CEEDHN C[C@@H]1C[C@H](Nc2nc3c(cc2C#N)CCC3)CN1C1CC1 ZINC000267845017 372081062 /nfs/dbraw/zinc/08/10/62/372081062.db2.gz CILXSHGEWBPDRQ-RISCZKNCSA-N 0 3 282.391 2.479 20 30 CEEDHN CN(CC#Cc1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000361825817 372087417 /nfs/dbraw/zinc/08/74/17/372087417.db2.gz OROAKLFJCLQJQB-KRWDZBQOSA-N 0 3 254.377 2.207 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(C)cc1C ZINC000268802677 372228677 /nfs/dbraw/zinc/22/86/77/372228677.db2.gz JTXNAWIRKZORCQ-CQSZACIVSA-N 0 3 258.365 2.094 20 30 CEEDHN C=CCN1CCC(Nc2nc(OC)ncc2Cl)CC1 ZINC000269069911 372333115 /nfs/dbraw/zinc/33/31/15/372333115.db2.gz ZCNZZWVXGYOEHZ-UHFFFAOYSA-N 0 3 282.775 2.201 20 30 CEEDHN CC(=O)NCC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000362935908 372580361 /nfs/dbraw/zinc/58/03/61/372580361.db2.gz SGMUTVLBHHSSEF-UHFFFAOYSA-N 0 3 285.391 2.215 20 30 CEEDHN C[C@H](O)C[C@@H]1CCCN1CCOc1ccccc1C#N ZINC000269863889 372583488 /nfs/dbraw/zinc/58/34/88/372583488.db2.gz WRYFCGPIDLZPMR-ZFWWWQNUSA-N 0 3 274.364 2.172 20 30 CEEDHN CCN(CC(=O)N(CC)C[C@@H](C)C#N)CC(C)(C)C ZINC000361530389 261322894 /nfs/dbraw/zinc/32/28/94/261322894.db2.gz ZMJHJWKNDOUKHL-ZDUSSCGKSA-N 0 3 267.417 2.363 20 30 CEEDHN CC#CC[C@@H](CO)NCc1c[nH]nc1-c1cccs1 ZINC000641769230 372709955 /nfs/dbraw/zinc/70/99/55/372709955.db2.gz QRKRZIARKSOTOR-LBPRGKRZSA-N 0 3 275.377 2.002 20 30 CEEDHN N#CCSCCCN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000364803209 372794283 /nfs/dbraw/zinc/79/42/83/372794283.db2.gz QZIPELZECCKVSX-ZDUSSCGKSA-N 0 3 287.392 2.131 20 30 CEEDHN Cn1cc(CN2CC[C@@H](c3ccco3)C2)cc1C#N ZINC000365270189 372815153 /nfs/dbraw/zinc/81/51/53/372815153.db2.gz UNWXZUZLGWRETO-CYBMUJFWSA-N 0 3 255.321 2.479 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1C2CCC1CC2 ZINC000642525590 372844352 /nfs/dbraw/zinc/84/43/52/372844352.db2.gz WCHDWFINQPFOHL-IYXRBSQSSA-N 0 3 250.386 2.426 20 30 CEEDHN CS[C@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1N(C)C ZINC000270656578 372885868 /nfs/dbraw/zinc/88/58/68/372885868.db2.gz NFLAOTABPUIJIR-CABCVRRESA-N 0 3 275.421 2.036 20 30 CEEDHN C[C@@H](NC[C@@H](CO)C1CC1)c1ccc(C#N)cc1F ZINC000353513404 220126749 /nfs/dbraw/zinc/12/67/49/220126749.db2.gz SCGDTILJUGZZRA-MFKMUULPSA-N 0 3 262.328 2.366 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]1C[C@@H](C)O ZINC000270873768 372992408 /nfs/dbraw/zinc/99/24/08/372992408.db2.gz AFADDJFNGFQKBW-IUODEOHRSA-N 0 3 274.364 2.302 20 30 CEEDHN CCCN(CCN(C)C)C(=O)c1ccc(C#N)s1 ZINC000344821481 217322047 /nfs/dbraw/zinc/32/20/47/217322047.db2.gz FAHDFIBCCUOCEB-UHFFFAOYSA-N 0 3 265.382 2.034 20 30 CEEDHN C[C@H](CN1CCOCC1)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271978591 373243954 /nfs/dbraw/zinc/24/39/54/373243954.db2.gz YIPZNEQHQYWHLG-OLZOCXBDSA-N 0 3 291.370 2.069 20 30 CEEDHN N#CCCCOc1cccc(CN2C[C@H](O)C3(CC3)C2)c1 ZINC000368800478 373262125 /nfs/dbraw/zinc/26/21/25/373262125.db2.gz OTDAZQKWSDEUKZ-INIZCTEOSA-N 0 3 286.375 2.326 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1nn(C)c2ccccc12 ZINC000643793942 373267281 /nfs/dbraw/zinc/26/72/81/373267281.db2.gz KZYVJEKTPOLUEM-LRDDRELGSA-N 0 3 271.364 2.254 20 30 CEEDHN CC(C)[C@@H](O)C1(CNCc2cccc(C#N)c2)CC1 ZINC000272101382 373305735 /nfs/dbraw/zinc/30/57/35/373305735.db2.gz VPHPQJMNJXZMQR-OAHLLOKOSA-N 0 3 258.365 2.445 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC[C@@H](n2cccn2)C1 ZINC000368874595 373281702 /nfs/dbraw/zinc/28/17/02/373281702.db2.gz HGJQQVRPYKZJKZ-MRXNPFEDSA-N 0 3 296.374 2.471 20 30 CEEDHN CC(=O)c1ccc(C#N)c(N2CCC[C@@H](N(C)C)C2)c1 ZINC000272476749 373505773 /nfs/dbraw/zinc/50/57/73/373505773.db2.gz IYIGPZRMGDGXEN-OAHLLOKOSA-N 0 3 271.364 2.291 20 30 CEEDHN COc1cc(C#N)ccc1CNC(C)(C)C(C)(C)O ZINC000272633664 373593052 /nfs/dbraw/zinc/59/30/52/373593052.db2.gz XIQWKTMPESVBPB-UHFFFAOYSA-N 0 3 262.353 2.206 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272663381 373605998 /nfs/dbraw/zinc/60/59/98/373605998.db2.gz HKKOHDFSZBBDNG-CYBMUJFWSA-N 0 3 283.375 2.247 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](C)[C@@H]1OCCc2sccc21 ZINC000644785831 373684101 /nfs/dbraw/zinc/68/41/01/373684101.db2.gz ZVPMUCZYXZQIPS-OSMZGAPFSA-N 0 3 267.394 2.277 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NCCOc2ncccc2F)C1 ZINC000274179220 373833648 /nfs/dbraw/zinc/83/36/48/373833648.db2.gz DZMYWPOIFLMNTE-NWDGAFQWSA-N 0 3 263.316 2.271 20 30 CEEDHN N#C[C@H]1CCC[C@H](NCCOc2ncccc2F)C1 ZINC000274179221 373833700 /nfs/dbraw/zinc/83/37/00/373833700.db2.gz DZMYWPOIFLMNTE-RYUDHWBXSA-N 0 3 263.316 2.271 20 30 CEEDHN COCCCN1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000371414300 373875722 /nfs/dbraw/zinc/87/57/22/373875722.db2.gz FZKZNWRFHCAGBE-UHFFFAOYSA-N 0 3 293.436 2.164 20 30 CEEDHN Cc1c(Cl)cnc(N(C)CCN(C)C2CC2)c1C#N ZINC000274523000 373949997 /nfs/dbraw/zinc/94/99/97/373949997.db2.gz XAWOYGXVUMKAJA-UHFFFAOYSA-N 0 3 278.787 2.446 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H](CO)CC(F)F)CC2 ZINC000353677370 220249686 /nfs/dbraw/zinc/24/96/86/220249686.db2.gz ZAGKGMAOFZRADI-YPMHNXCESA-N 0 3 266.291 2.151 20 30 CEEDHN N#CCCCCN1CCC(c2nnc3n2CCC3)CC1 ZINC000372552019 374155322 /nfs/dbraw/zinc/15/53/22/374155322.db2.gz GETQXYAELLSXIT-UHFFFAOYSA-N 0 3 273.384 2.098 20 30 CEEDHN CC1(C)NC(=O)CC[C@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000374792086 374631590 /nfs/dbraw/zinc/63/15/90/374631590.db2.gz GHZZKMYSXHHKCB-SWKXRBFHSA-N 0 3 297.402 2.257 20 30 CEEDHN CCN(CC#N)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000375401312 374654632 /nfs/dbraw/zinc/65/46/32/374654632.db2.gz OWRYMFXZECYFHV-KRWDZBQOSA-N 0 3 287.407 2.123 20 30 CEEDHN Cc1nc(C(=O)NC[C@@H]2CCCCN2C2CC2)ccc1C#N ZINC000278042887 374711914 /nfs/dbraw/zinc/71/19/14/374711914.db2.gz VDTKWZDKDWWNFH-HNNXBMFYSA-N 0 3 298.390 2.008 20 30 CEEDHN CC[C@@H](NC[C@H](O)c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000278389553 374802204 /nfs/dbraw/zinc/80/22/04/374802204.db2.gz DQBLKKCNPNRMAD-CVEARBPZSA-N 0 3 284.363 2.066 20 30 CEEDHN C=CCNC(=O)CN1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000278400780 374805466 /nfs/dbraw/zinc/80/54/66/374805466.db2.gz GEMSYQJMUSXSPG-HOCLYGCPSA-N 0 3 272.392 2.475 20 30 CEEDHN COc1cc(CN2CC[C@](CO)(C(C)C)C2)ccc1C#N ZINC000378125879 375023907 /nfs/dbraw/zinc/02/39/07/375023907.db2.gz BSTDFCKCMXQFNJ-KRWDZBQOSA-N 0 3 288.391 2.407 20 30 CEEDHN C[C@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc(C#N)s1 ZINC000378438137 375099613 /nfs/dbraw/zinc/09/96/13/375099613.db2.gz IHXZYROHFVWNOS-WCQYABFASA-N 0 3 291.420 2.134 20 30 CEEDHN CC1=C(C)CN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000280505419 375226425 /nfs/dbraw/zinc/22/64/25/375226425.db2.gz CLVOGZLCNHPUQH-MRXNPFEDSA-N 0 3 286.375 2.340 20 30 CEEDHN CC[C@@H]1[C@H](CO)CCN1Cc1cc(C#N)ccc1F ZINC000386298810 375257094 /nfs/dbraw/zinc/25/70/94/375257094.db2.gz QWSUXJXNUQAKQL-SWLSCSKDSA-N 0 3 262.328 2.290 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N[C@H](C)CN1CCCCC1 ZINC000280609418 375260097 /nfs/dbraw/zinc/26/00/97/375260097.db2.gz QFMSMGSHFMTJBD-LLVKDONJSA-N 0 3 275.352 2.064 20 30 CEEDHN N#CCc1ccc(CN2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000399216459 375361200 /nfs/dbraw/zinc/36/12/00/375361200.db2.gz IYYNUUPCZNAVJC-SFHVURJKSA-N 0 3 299.418 2.049 20 30 CEEDHN COc1cc(CN2CCC[C@H]2C[C@H](C)O)ccc1C#N ZINC000282411527 375477776 /nfs/dbraw/zinc/47/77/76/375477776.db2.gz SDYQBTAIXWHFKF-WFASDCNBSA-N 0 3 274.364 2.302 20 30 CEEDHN C=CCN1CCC(N[C@@H](C)c2cc3n(n2)CCC3)CC1 ZINC000414108406 375795424 /nfs/dbraw/zinc/79/54/24/375795424.db2.gz GFWQDUUSNSAERL-ZDUSSCGKSA-N 0 3 274.412 2.130 20 30 CEEDHN CCOC[C@@H](NCC(=O)Nc1cccc(C#N)c1)C(C)C ZINC000286370449 375929739 /nfs/dbraw/zinc/92/97/39/375929739.db2.gz YRRXLBXDNFPXPS-OAHLLOKOSA-N 0 3 289.379 2.147 20 30 CEEDHN C=C(C)CN(CC)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418423132 376315159 /nfs/dbraw/zinc/31/51/59/376315159.db2.gz FGLRRCUEPWOVSP-CQSZACIVSA-N 0 3 261.369 2.294 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418648544 376317740 /nfs/dbraw/zinc/31/77/40/376317740.db2.gz ZOVLUBUZLKWTEG-OAHLLOKOSA-N 0 3 273.380 2.091 20 30 CEEDHN Cc1nsc(N[C@@H]2CCN(C(C)C)C2)c1C#N ZINC000288636859 376380228 /nfs/dbraw/zinc/38/02/28/376380228.db2.gz YUOYRTDPVCYIHK-SNVBAGLBSA-N 0 3 250.371 2.218 20 30 CEEDHN N#Cc1nccnc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000263739727 190075713 /nfs/dbraw/zinc/07/57/13/190075713.db2.gz DFUQOXHDLDBAHM-CQSZACIVSA-N 0 3 279.347 2.035 20 30 CEEDHN C[C@H](CNC(=O)NCC1(C#N)CCC1)N1CCC[C@H](C)C1 ZINC000419419267 376452133 /nfs/dbraw/zinc/45/21/33/376452133.db2.gz IVHBVNPPRPDMNG-UONOGXRCSA-N 0 3 292.427 2.100 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCCC[C@@H]1[C@H](C)O ZINC000305728640 376460021 /nfs/dbraw/zinc/46/00/21/376460021.db2.gz MNNOFLSATAOEAO-SWLSCSKDSA-N 0 3 274.364 2.302 20 30 CEEDHN C[C@H](CCO)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305840823 376515785 /nfs/dbraw/zinc/51/57/85/376515785.db2.gz ZAOVWOCIDRJZAH-MNOVXSKESA-N 0 3 250.317 2.366 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)NCC2(C#N)CCC2)C1 ZINC000419638094 376488478 /nfs/dbraw/zinc/48/84/78/376488478.db2.gz IPJFNFOHXHVZNG-UHFFFAOYSA-N 0 3 292.427 2.101 20 30 CEEDHN CCN(CCn1cncn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000264151511 190093331 /nfs/dbraw/zinc/09/33/31/190093331.db2.gz WDVITHNZRJVLDN-ZDUSSCGKSA-N 0 3 269.352 2.233 20 30 CEEDHN Cc1nc(N(C)C[C@H]2CCCN2C)c(Cl)cc1C#N ZINC000311647076 376679453 /nfs/dbraw/zinc/67/94/53/376679453.db2.gz CIDSOIFGNWDMMQ-GFCCVEGCSA-N 0 3 278.787 2.446 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)c2c(F)cc(C#N)cc2F)CCN1C ZINC000313917625 376759453 /nfs/dbraw/zinc/75/94/53/376759453.db2.gz AGKNGLBMDAIKLQ-GXSJLCMTSA-N 0 3 293.317 2.049 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1F ZINC000320601450 376824628 /nfs/dbraw/zinc/82/46/28/376824628.db2.gz CLELHVGYDYFUPD-NSHDSACASA-N 0 3 268.288 2.151 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000328796537 376899931 /nfs/dbraw/zinc/89/99/31/376899931.db2.gz UWVMHMNAGBYHNP-DLBZAZTESA-N 0 3 298.386 2.396 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H]1CCOC1(C)C ZINC000328282201 376847326 /nfs/dbraw/zinc/84/73/26/376847326.db2.gz ZPTOSHVDMLYYBY-AWEZNQCLSA-N 0 3 260.337 2.224 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H](O)C1CCCCC1 ZINC000328607274 376858629 /nfs/dbraw/zinc/85/86/29/376858629.db2.gz LBTODZDONJABMH-BYCMXARLSA-N 0 3 280.412 2.367 20 30 CEEDHN CC(=O)Nc1ccn([C@H]2CCN(CCOCC3CC3)C2)n1 ZINC000328619843 376865184 /nfs/dbraw/zinc/86/51/84/376865184.db2.gz GHPJJNGOMLQUKI-AWEZNQCLSA-N 0 3 292.383 2.164 20 30 CEEDHN O=C(NC1CCN(C2CC2)CC1)c1cn2c(n1)CCCC2 ZINC000328709118 376882975 /nfs/dbraw/zinc/88/29/75/376882975.db2.gz MKGLCNUGQPZEKO-UHFFFAOYSA-N 0 3 288.395 2.151 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2ncoc2C2CC2)CCN1C ZINC000328823035 376903986 /nfs/dbraw/zinc/90/39/86/376903986.db2.gz GLSAKUYVRNKMBU-MWLCHTKSSA-N 0 3 263.341 2.339 20 30 CEEDHN CN(C[C@H](O)COc1cc(Cl)cc(C#N)c1)C1CC1 ZINC000290792158 376928642 /nfs/dbraw/zinc/92/86/42/376928642.db2.gz ONYCVJKDXUZNGZ-ZDUSSCGKSA-N 0 3 280.755 2.046 20 30 CEEDHN C[C@H](NC(=O)C[C@](C)(O)C1CC1)C1=CCN(C)CC1 ZINC000329322560 376944627 /nfs/dbraw/zinc/94/46/27/376944627.db2.gz UVLCULIFMWZUAD-NHYWBVRUSA-N 0 3 266.385 2.144 20 30 CEEDHN CN1CCC(NC(=O)Nc2cnc3c(c2)CCCC3)CC1 ZINC000329360238 376954351 /nfs/dbraw/zinc/95/43/51/376954351.db2.gz CDRZLPCYJZSVNJ-UHFFFAOYSA-N 0 3 288.395 2.381 20 30 CEEDHN C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3nc[nH]c3C2)CCS1 ZINC000329537529 376966391 /nfs/dbraw/zinc/96/63/91/376966391.db2.gz BQVYKWJNGMHFQA-MNOVXSKESA-N 0 3 294.424 2.008 20 30 CEEDHN C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)CCS1 ZINC000329537529 376966395 /nfs/dbraw/zinc/96/63/95/376966395.db2.gz BQVYKWJNGMHFQA-MNOVXSKESA-N 0 3 294.424 2.008 20 30 CEEDHN C[C@H](C(=O)N[C@H]1CCc2nc[nH]c2C1)N1CCCCCC1 ZINC000329671556 376988042 /nfs/dbraw/zinc/98/80/42/376988042.db2.gz SDGQRQRATKGKCJ-OLZOCXBDSA-N 0 3 290.411 2.488 20 30 CEEDHN C[C@H](C(=O)N[C@H]1CCc2[nH]cnc2C1)N1CCCCCC1 ZINC000329671556 376988048 /nfs/dbraw/zinc/98/80/48/376988048.db2.gz SDGQRQRATKGKCJ-OLZOCXBDSA-N 0 3 290.411 2.488 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1nnsc1Cl ZINC000563208487 377126038 /nfs/dbraw/zinc/12/60/38/377126038.db2.gz GIWIDBGVXGYNMX-UHFFFAOYSA-N 0 3 274.821 2.131 20 30 CEEDHN CCN(Cc1ccc(C#N)c(OC)c1)C[C@H](C)OC ZINC000291137280 377087888 /nfs/dbraw/zinc/08/78/88/377087888.db2.gz XISYVXPANYTWEF-LBPRGKRZSA-N 0 3 262.353 2.424 20 30 CEEDHN C#Cc1ccccc1CC(=O)N(C)CC1(N(C)C)CCC1 ZINC000291274669 377152723 /nfs/dbraw/zinc/15/27/23/377152723.db2.gz LPPGLSVMERKZIP-UHFFFAOYSA-N 0 3 284.403 2.153 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)CC1CCN(C)CC1 ZINC000292017313 377219581 /nfs/dbraw/zinc/21/95/81/377219581.db2.gz SLVBUVSEOQVSBE-GOSISDBHSA-N 0 3 298.430 2.469 20 30 CEEDHN C=C(C)CN1CCC(Nc2nnc(C(F)F)o2)CC1 ZINC000292515641 377251030 /nfs/dbraw/zinc/25/10/30/377251030.db2.gz OOZOCMNEBSPTRR-UHFFFAOYSA-N 0 3 272.299 2.460 20 30 CEEDHN COCC(C)(C)N(C)Cc1ccc(C#N)c(OC)c1 ZINC000292763021 377269404 /nfs/dbraw/zinc/26/94/04/377269404.db2.gz JQSFDHVGYCCGLA-UHFFFAOYSA-N 0 3 262.353 2.424 20 30 CEEDHN Cc1nnc(N2CCN(C3CCC3)C[C@@H](C)C2)c(C#N)c1C ZINC000291621601 377202663 /nfs/dbraw/zinc/20/26/63/377202663.db2.gz AUKUUUVKMGNFKI-GFCCVEGCSA-N 0 3 299.422 2.276 20 30 CEEDHN CN(C)Cc1cccc(C(=O)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424979243 377320532 /nfs/dbraw/zinc/32/05/32/377320532.db2.gz RFEFRXUKEPWFAS-SWLSCSKDSA-N 0 3 271.364 2.170 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000424722711 377287846 /nfs/dbraw/zinc/28/78/46/377287846.db2.gz OHLMBUPLRPYAOR-YPMHNXCESA-N 0 3 250.386 2.188 20 30 CEEDHN C=CCCCCNC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425740076 377380849 /nfs/dbraw/zinc/38/08/49/377380849.db2.gz KXGMXFREGNUNDX-UONOGXRCSA-N 0 3 265.401 2.078 20 30 CEEDHN C[C@@H]1C[C@@H](NCc2nc(C#N)cs2)C[C@H](C)O1 ZINC000564410542 377386595 /nfs/dbraw/zinc/38/65/95/377386595.db2.gz RHKXHGIEUJNTDH-ILWJIGKKSA-N 0 3 251.355 2.060 20 30 CEEDHN C=C[C@H](C)NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425473615 377351044 /nfs/dbraw/zinc/35/10/44/377351044.db2.gz XWVHBTURKFPYOD-BHYGNILZSA-N 0 3 299.418 2.477 20 30 CEEDHN CC[C@@H](CNC(=O)C(C#N)CCc1ccccc1)OC ZINC000427920216 377467744 /nfs/dbraw/zinc/46/77/44/377467744.db2.gz ASRJWYNTGGDKKK-GJZGRUSLSA-N 0 3 274.364 2.300 20 30 CEEDHN CN(C)[C@H](CNC(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000427980731 377476967 /nfs/dbraw/zinc/47/69/67/377476967.db2.gz CGOPKPHIMCOTFK-CQSZACIVSA-N 0 3 283.331 2.184 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000428623997 377497993 /nfs/dbraw/zinc/49/79/93/377497993.db2.gz IMWOMCRVNQPMHR-NTSWFWBYSA-N 0 3 277.271 2.499 20 30 CEEDHN C=CCN(C)CCN(CC)CC(=O)N1CCCC[C@H]1CC ZINC000429717140 377520766 /nfs/dbraw/zinc/52/07/66/377520766.db2.gz QDSLUXSAACLWFV-MRXNPFEDSA-N 0 3 295.471 2.217 20 30 CEEDHN C[C@@H](CC(=O)N1CCCCCC1)NCC1(CC#N)CC1 ZINC000430738224 377546948 /nfs/dbraw/zinc/54/69/48/377546948.db2.gz FGNCVYLFIHSDDO-AWEZNQCLSA-N 0 3 277.412 2.451 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1C#N ZINC000265241388 190168635 /nfs/dbraw/zinc/16/86/35/190168635.db2.gz TZASLGLNHPRKNA-LBPRGKRZSA-N 0 3 288.351 2.244 20 30 CEEDHN CC(C)(C)[C@H](CO)NCc1ccc(C#N)cc1F ZINC000265407650 190179698 /nfs/dbraw/zinc/17/96/98/190179698.db2.gz CQVRFBAITZKBEH-ZDUSSCGKSA-N 0 3 250.317 2.194 20 30 CEEDHN CN(C)Cc1ccc(C(=O)NCC2(CC#N)CC2)cc1 ZINC000431165027 377610344 /nfs/dbraw/zinc/61/03/44/377610344.db2.gz BCIKLMCTPOEITH-UHFFFAOYSA-N 0 3 271.364 2.172 20 30 CEEDHN C[C@@H](CC#N)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000431774567 377671757 /nfs/dbraw/zinc/67/17/57/377671757.db2.gz SUZPKKKKVQWJTR-JSGCOSHPSA-N 0 3 259.353 2.098 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000432364262 377753413 /nfs/dbraw/zinc/75/34/13/377753413.db2.gz GRRCJHQZBQAYHD-QWHCGFSZSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CCC(CC=C)C(=O)Nc1ccnn1CCN(C)C ZINC000293911418 377821356 /nfs/dbraw/zinc/82/13/56/377821356.db2.gz AHOGJBOROUXJMM-UHFFFAOYSA-N 0 3 276.384 2.152 20 30 CEEDHN CCCN(CC#N)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000433304769 377787700 /nfs/dbraw/zinc/78/77/00/377787700.db2.gz LIQRZSDWRSOAQH-OAHLLOKOSA-N 0 3 273.380 2.442 20 30 CEEDHN CC[C@H](COC)NC(=O)C(C#N)CCc1ccccc1 ZINC000433345047 377788867 /nfs/dbraw/zinc/78/88/67/377788867.db2.gz VFCMLJHPMMBYFE-HUUCEWRRSA-N 0 3 274.364 2.300 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000437314737 377838929 /nfs/dbraw/zinc/83/89/29/377838929.db2.gz OSBGPMKXOADPQP-VAOFZXAKSA-N 0 3 250.248 2.097 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000437464416 377843658 /nfs/dbraw/zinc/84/36/58/377843658.db2.gz CJVJFWWQACRYGR-FWDPORAESA-N 0 3 264.275 2.487 20 30 CEEDHN CCN(CCNC(=O)NCC1CCC(C#N)CC1)C1CC1 ZINC000441014866 377933266 /nfs/dbraw/zinc/93/32/66/377933266.db2.gz KCBRXAYPFQVRNN-UHFFFAOYSA-N 0 3 292.427 2.100 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(C(F)(F)F)n[nH]1 ZINC000441371251 377941186 /nfs/dbraw/zinc/94/11/86/377941186.db2.gz SRLGGJNAGOAUCO-BXKDBHETSA-N 0 3 289.301 2.499 20 30 CEEDHN C=CCOc1ccccc1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000265961028 190218911 /nfs/dbraw/zinc/21/89/11/190218911.db2.gz GTXLUIOCYLWSDJ-AWEZNQCLSA-N 0 3 288.391 2.418 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000438461108 377901406 /nfs/dbraw/zinc/90/14/06/377901406.db2.gz PEMMDCFPDRKFBT-HOCLYGCPSA-N 0 3 282.428 2.204 20 30 CEEDHN COc1ccc(CC(C)(C)NC(=O)C(C)C#N)cc1 ZINC000438535650 377905662 /nfs/dbraw/zinc/90/56/62/377905662.db2.gz MCLAPSYBRCYWPA-LLVKDONJSA-N 0 3 260.337 2.292 20 30 CEEDHN COc1cc(OC)cc(OCCN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442853053 378007145 /nfs/dbraw/zinc/00/71/45/378007145.db2.gz TVSZCABWUCZOBW-CHWSQXEVSA-N 0 3 290.363 2.364 20 30 CEEDHN N#C[C@H]1CC[C@H](NCCNc2nccc(C(F)(F)F)n2)C1 ZINC000442775179 377994115 /nfs/dbraw/zinc/99/41/15/377994115.db2.gz FTPGROMPBTVBNO-UWVGGRQHSA-N 0 3 299.300 2.189 20 30 CEEDHN C[C@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)[C@H]1C ZINC000265983640 190220462 /nfs/dbraw/zinc/22/04/62/190220462.db2.gz GHZIWMBNOKMGMK-KBPBESRZSA-N 0 3 285.391 2.295 20 30 CEEDHN C#CCN(C)CCCN[C@@H](C)c1ccc(OC)cc1OC ZINC000294965818 378032892 /nfs/dbraw/zinc/03/28/92/378032892.db2.gz JOYFPEVZFUOUJR-AWEZNQCLSA-N 0 3 290.407 2.310 20 30 CEEDHN C=CCCCC(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000443664541 378070450 /nfs/dbraw/zinc/07/04/50/378070450.db2.gz DNCXNLAAGCZUKB-GASCZTMLSA-N 0 3 282.428 2.348 20 30 CEEDHN CC(C)(C#N)CCCCN1CC[C@H](NC(=O)NC2CC2)C1 ZINC000444688407 378078656 /nfs/dbraw/zinc/07/86/56/378078656.db2.gz JMYWFSDDQHFFOC-AWEZNQCLSA-N 0 3 292.427 2.242 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC[C@H](C(C)C)C1 ZINC000444751681 378079746 /nfs/dbraw/zinc/07/97/46/378079746.db2.gz PXXJAJGTCABSRW-AWEZNQCLSA-N 0 3 265.401 2.117 20 30 CEEDHN C#CCO[C@H](C)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000295426818 378152034 /nfs/dbraw/zinc/15/20/34/378152034.db2.gz FJNKAHZMRCPKNZ-CYBMUJFWSA-N 0 3 274.364 2.033 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CSC2CC2)CC1 ZINC000448920647 378191759 /nfs/dbraw/zinc/19/17/59/378191759.db2.gz IIRZVPRHROUPNL-UHFFFAOYSA-N 0 3 268.426 2.039 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000449520418 378215440 /nfs/dbraw/zinc/21/54/40/378215440.db2.gz PKEBKYPLOIJYGB-OCCSQVGLSA-N 0 3 262.309 2.336 20 30 CEEDHN C[C@H]1C[C@@]1(C#N)C(=O)NCCCN(C)Cc1ccccc1 ZINC000448607816 378175541 /nfs/dbraw/zinc/17/55/41/378175541.db2.gz ZOJAOYRQDCIZPY-YOEHRIQHSA-N 0 3 285.391 2.174 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@H](N(C)C)C2)CCCC1 ZINC000449838514 378237301 /nfs/dbraw/zinc/23/73/01/378237301.db2.gz GIYRWCGQTAZPKT-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN CCCN(CCN1CCCCCC1)c1nccc(C#N)n1 ZINC000295670672 378259011 /nfs/dbraw/zinc/25/90/11/378259011.db2.gz JWVTUASNEPCCHK-UHFFFAOYSA-N 0 3 287.411 2.441 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@]1(C#N)C[C@@H]1C ZINC000450429276 378411982 /nfs/dbraw/zinc/41/19/82/378411982.db2.gz ZGWKNILVVWZGQQ-JJRVBVJISA-N 0 3 285.391 2.173 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](SC)C1 ZINC000296236710 378462304 /nfs/dbraw/zinc/46/23/04/378462304.db2.gz KWOPRCGCLXLDIF-STQMWFEESA-N 0 3 268.426 2.013 20 30 CEEDHN C=C[C@H](CO)Nc1ccnc2ccc(OC(C)C)cc21 ZINC000450533532 378463326 /nfs/dbraw/zinc/46/33/26/378463326.db2.gz VJUAQWYCZRJWMR-GFCCVEGCSA-N 0 3 272.348 2.403 20 30 CEEDHN C[C@H]1CN(Cc2ccc(C#N)o2)CCN(C2CC2)C1 ZINC000296171179 378439657 /nfs/dbraw/zinc/43/96/57/378439657.db2.gz XDSXSLXDXPUEJT-LBPRGKRZSA-N 0 3 259.353 2.067 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000450579437 378484983 /nfs/dbraw/zinc/48/49/83/378484983.db2.gz MGFHHTJLLSYACI-QWHCGFSZSA-N 0 3 282.453 2.237 20 30 CEEDHN C=C(C)CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000450773277 378572093 /nfs/dbraw/zinc/57/20/93/378572093.db2.gz AWOAOYHCBFVOMY-CQSZACIVSA-N 0 3 250.386 2.476 20 30 CEEDHN CC#CCCN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296646624 378604067 /nfs/dbraw/zinc/60/40/67/378604067.db2.gz IRUYRDBBYVGYQL-UHFFFAOYSA-N 0 3 256.349 2.163 20 30 CEEDHN CC[C@H](C)[C@H](O)CNCc1ccc(OC)c(C#N)c1 ZINC000266241990 190242869 /nfs/dbraw/zinc/24/28/69/190242869.db2.gz XJRFQXLNMKPNPO-SMDDNHRTSA-N 0 3 262.353 2.063 20 30 CEEDHN CC#CCN1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000497109500 379050901 /nfs/dbraw/zinc/05/09/01/379050901.db2.gz DIPCSLUICLYMSJ-KGLIPLIRSA-N 0 3 278.396 2.199 20 30 CEEDHN CC[C@@H](NCCCS(C)(=O)=O)c1ccc(C#N)cc1 ZINC000278733011 194128098 /nfs/dbraw/zinc/12/80/98/194128098.db2.gz MULYGLQIPLARIS-CQSZACIVSA-N 0 3 280.393 2.034 20 30 CEEDHN N#Cc1nccnc1N1CCCN(Cc2ccccc2)CC1 ZINC000301170800 379211062 /nfs/dbraw/zinc/21/10/62/379211062.db2.gz JZTUCYPBSALUOV-UHFFFAOYSA-N 0 3 293.374 2.061 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)NCCN2CCCCC2)c1 ZINC000455963265 379269086 /nfs/dbraw/zinc/26/90/86/379269086.db2.gz BJFFNRJTFIFWCG-UHFFFAOYSA-N 0 3 286.379 2.474 20 30 CEEDHN C#Cc1ccc(CN2CCC(N3CCCC3=O)CC2)cc1 ZINC000278894581 194199267 /nfs/dbraw/zinc/19/92/67/194199267.db2.gz IDUYXOHENADGDO-UHFFFAOYSA-N 0 3 282.387 2.255 20 30 CEEDHN C[C@H](N(C)Cc1cnc2c(C#N)cnn2c1)C1(C)CC1 ZINC000518980917 379405224 /nfs/dbraw/zinc/40/52/24/379405224.db2.gz VVBDAGOUIBTCFP-NSHDSACASA-N 0 3 269.352 2.221 20 30 CEEDHN Cc1ccccc1[C@@H]1CN(C(=O)C(C)C#N)CCO1 ZINC000525253122 379654782 /nfs/dbraw/zinc/65/47/82/379654782.db2.gz NCCUCYFHMWWLIL-OCCSQVGLSA-N 0 3 258.321 2.055 20 30 CEEDHN N#CC1(NC(=O)CN2CCCC23CCCCC3)CCC1 ZINC000525893349 379677363 /nfs/dbraw/zinc/67/73/63/379677363.db2.gz GDJDUVGMKBVNSG-UHFFFAOYSA-N 0 3 275.396 2.348 20 30 CEEDHN CN(CC(=O)NC1(C#N)CCC1)[C@@H]1CCc2ccccc2C1 ZINC000527377673 379755587 /nfs/dbraw/zinc/75/55/87/379755587.db2.gz WCCRWJXHLUEXPA-MRXNPFEDSA-N 0 3 297.402 2.038 20 30 CEEDHN C#CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000267512193 190335209 /nfs/dbraw/zinc/33/52/09/190335209.db2.gz MFYCMOXZTHGNPF-NVXWUHKLSA-N 0 3 299.418 2.362 20 30 CEEDHN CCCCOC1CCN(C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528395877 379954543 /nfs/dbraw/zinc/95/45/43/379954543.db2.gz OGTCLCUJGHRREH-CQSZACIVSA-N 0 3 280.412 2.322 20 30 CEEDHN C=CCCCCCN1CCN(C(=O)CN(CC)CC)CC1 ZINC000487861696 380088559 /nfs/dbraw/zinc/08/85/59/380088559.db2.gz QNOQZQMAJZSUSP-UHFFFAOYSA-N 0 3 295.471 2.219 20 30 CEEDHN C=CCC(CC=C)C(=O)NCCN(CC)C1CC1 ZINC000268129474 190379488 /nfs/dbraw/zinc/37/94/88/190379488.db2.gz ABASVBCHSVPHBG-UHFFFAOYSA-N 0 3 250.386 2.355 20 30 CEEDHN C[C@H]1C[C@@H]1N1CCN(c2cccnc2C#N)C[C@@H](C)C1 ZINC000488733874 380125352 /nfs/dbraw/zinc/12/53/52/380125352.db2.gz PTPVTAMQFAXXNY-WWGRRREGSA-N 0 3 270.380 2.120 20 30 CEEDHN CCc1nnc(N2CCCN(CC)CC2)c(C#N)c1CC ZINC000268231799 190388187 /nfs/dbraw/zinc/38/81/87/190388187.db2.gz VOUVSNJSSQPBSO-UHFFFAOYSA-N 0 3 287.411 2.005 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530028326 380192765 /nfs/dbraw/zinc/19/27/65/380192765.db2.gz OCBBGPZTHHGKOA-BZUAXINKSA-N 0 3 292.423 2.101 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000530053420 380193872 /nfs/dbraw/zinc/19/38/72/380193872.db2.gz LQSGXLDMTNQZBM-CHULRUDVSA-N 0 3 260.724 2.254 20 30 CEEDHN Cc1ncc2c(n1)CCN(CCCC(C)(C)C#N)C2 ZINC000530626565 380203805 /nfs/dbraw/zinc/20/38/05/380203805.db2.gz CSVAEKNDHUYPGP-UHFFFAOYSA-N 0 3 258.369 2.473 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000489033920 380155278 /nfs/dbraw/zinc/15/52/78/380155278.db2.gz DCPFGFDNNHCRPM-AWEZNQCLSA-N 0 3 277.412 2.380 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)Cc2cccc(C#N)c2)CCN1C ZINC000531152707 380207308 /nfs/dbraw/zinc/20/73/08/380207308.db2.gz UINMZZLPXOYLNL-BBRMVZONSA-N 0 3 285.391 2.042 20 30 CEEDHN CC1CC(C#N)(C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000532068978 380211871 /nfs/dbraw/zinc/21/18/71/380211871.db2.gz IBHWMYYXVOMILS-UHFFFAOYSA-N 0 3 285.391 2.304 20 30 CEEDHN C#Cc1ccc(CN2CCC(Cn3ccnn3)CC2)cc1 ZINC000279081071 194276151 /nfs/dbraw/zinc/27/61/51/194276151.db2.gz SOTPJBLGBVRDIN-UHFFFAOYSA-N 0 3 280.375 2.172 20 30 CEEDHN Cc1[nH]nc2ncc(CN3CCC(CC#N)CC3)cc12 ZINC000543780326 380345167 /nfs/dbraw/zinc/34/51/67/380345167.db2.gz MKERGFZWMPLIQC-UHFFFAOYSA-N 0 3 269.352 2.392 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2[C@H](C)C[C@H]2C)CC1 ZINC000334547902 380572223 /nfs/dbraw/zinc/57/22/23/380572223.db2.gz WPOKQGOYVPCYJA-CHWSQXEVSA-N 0 3 265.401 2.219 20 30 CEEDHN CN(CC(=O)NC1(C#N)CCC1)[C@@H]1CCC(C)(C)C1 ZINC000553896115 380750997 /nfs/dbraw/zinc/75/09/97/380750997.db2.gz NFMQWSLPJAZZSC-GFCCVEGCSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@H](NCc1cc(C#N)n(C)c1)[C@@H](O)c1ccccc1 ZINC000288656539 197138073 /nfs/dbraw/zinc/13/80/73/197138073.db2.gz VLMWVPFMWAGQHP-BLLLJJGKSA-N 0 3 269.348 2.108 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C\C2CCCC2)CC1 ZINC000493634118 381100397 /nfs/dbraw/zinc/10/03/97/381100397.db2.gz YLHAIKHCEMFHQV-FPLPWBNLSA-N 0 3 262.397 2.499 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)NCCN(CC)C1CC1 ZINC000494910203 381163923 /nfs/dbraw/zinc/16/39/23/381163923.db2.gz NJDFKRSFMOBEOA-ZDUSSCGKSA-N 0 3 265.401 2.221 20 30 CEEDHN CCCCNC(=O)OC[C@H]1CCCCN1C(=O)C(C)C#N ZINC000495764285 381183088 /nfs/dbraw/zinc/18/30/88/381183088.db2.gz PTMFWPKGNMDERY-CHWSQXEVSA-N 0 3 295.383 2.053 20 30 CEEDHN CC#CCCN1CCCC[C@@H]1COC(=O)NC(C)C ZINC000495750358 381183207 /nfs/dbraw/zinc/18/32/07/381183207.db2.gz OUBWBPWJNRTJAT-CQSZACIVSA-N 0 3 266.385 2.389 20 30 CEEDHN CN(CCN(C)[C@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000495730626 381183708 /nfs/dbraw/zinc/18/37/08/381183708.db2.gz QZLAVHFNQPLBLX-OLZOCXBDSA-N 0 3 281.400 2.477 20 30 CEEDHN CCNC(=O)OC[C@H]1CCCCN1CCCSCC#N ZINC000495745611 381183906 /nfs/dbraw/zinc/18/39/06/381183906.db2.gz KPSGLNAEBLRCGF-CYBMUJFWSA-N 0 3 299.440 2.234 20 30 CEEDHN C=CCC[C@@H](O)CN1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000495891304 381190253 /nfs/dbraw/zinc/19/02/53/381190253.db2.gz KEEVPGVTNMVKIQ-HUUCEWRRSA-N 0 3 296.411 2.057 20 30 CEEDHN CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNCC2(C#N)CC2)C1 ZINC000497010859 381238479 /nfs/dbraw/zinc/23/84/79/381238479.db2.gz LATWFSAGCPWIQQ-MLGOLLRUSA-N 0 3 291.395 2.137 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCCN1C ZINC000335291059 208116141 /nfs/dbraw/zinc/11/61/41/208116141.db2.gz AUHPNEQXKOOMMA-CYBMUJFWSA-N 0 3 272.352 2.082 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](C(=O)N3CCCC3)C2)s1 ZINC000335324555 208192072 /nfs/dbraw/zinc/19/20/72/208192072.db2.gz YOWRUSJICMJDJW-LBPRGKRZSA-N 0 3 289.404 2.064 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](F)C2)cc1 ZINC000574818359 335050114 /nfs/dbraw/zinc/05/01/14/335050114.db2.gz PWQSLPPAWGEODO-LSDHHAIUSA-N 0 3 285.322 2.201 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1nc2ccccc2n1C ZINC000334587797 533110810 /nfs/dbraw/zinc/11/08/10/533110810.db2.gz IGZQIOAAJNKYNJ-SMDDNHRTSA-N 0 3 282.347 2.396 20 30 CEEDHN CCC[C@]1(CO)CCN(CCOc2cccc(C#N)c2)C1 ZINC000288889704 197185966 /nfs/dbraw/zinc/18/59/66/197185966.db2.gz RRSQWTCYOQQVPV-KRWDZBQOSA-N 0 3 288.391 2.422 20 30 CEEDHN CN(CCNc1nc2cc(Cl)ccn2c1C#N)C1CC1 ZINC000288386243 197065253 /nfs/dbraw/zinc/06/52/53/197065253.db2.gz KNHKADKSOVWRGH-UHFFFAOYSA-N 0 3 289.770 2.365 20 30 CEEDHN COc1cc(CNC[C@H](O)c2ccc(C)o2)ccc1C#N ZINC000281462976 195249839 /nfs/dbraw/zinc/24/98/39/195249839.db2.gz BBJPBSSGRAIHTR-AWEZNQCLSA-N 0 3 286.331 2.292 20 30 CEEDHN CCC[C@H](O)CNC1CC(C#N)(c2ccccc2)C1 ZINC000119241310 260025199 /nfs/dbraw/zinc/02/51/99/260025199.db2.gz KYBGQFYDNIAQLC-PCKAHOCUSA-N 0 3 258.365 2.361 20 30 CEEDHN C=CCSCCNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000171282554 335062169 /nfs/dbraw/zinc/06/21/69/335062169.db2.gz HIZPYRMRLSFJCR-AVGNSLFASA-N 0 3 270.442 2.283 20 30 CEEDHN C=CCSCCNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000171282559 335062242 /nfs/dbraw/zinc/06/22/42/335062242.db2.gz HIZPYRMRLSFJCR-UPJWGTAASA-N 0 3 270.442 2.283 20 30 CEEDHN CN1CCN(CCNc2ccc(F)cc2C#N)CC1(C)C ZINC000281744244 195361162 /nfs/dbraw/zinc/36/11/62/195361162.db2.gz XHBULFMHBAZYOD-UHFFFAOYSA-N 0 3 290.386 2.135 20 30 CEEDHN COc1cc(CNC[C@H](CO)c2ccccc2)ccc1C#N ZINC000281636217 195316009 /nfs/dbraw/zinc/31/60/09/195316009.db2.gz IQFJRXXRJNNXMO-QGZVFWFLSA-N 0 3 296.370 2.433 20 30 CEEDHN C#CCOc1ccc(CN[C@H](C)[C@H](C)C(=O)OCC)cc1 ZINC000190958000 130165437 /nfs/dbraw/zinc/16/54/37/130165437.db2.gz KUCRFAHFWHRBPK-UONOGXRCSA-N 0 3 289.375 2.376 20 30 CEEDHN CO[C@]1(C)C[C@@H](NCc2cc(C#N)n(C)c2)C1(C)C ZINC000191257498 130210073 /nfs/dbraw/zinc/21/00/73/130210073.db2.gz PYDPDIPKGZZXQI-UKRRQHHQSA-N 0 3 261.369 2.190 20 30 CEEDHN Cn1cc(CNC[C@@](C)(O)C2CCCCC2)cc1C#N ZINC000191672267 130276572 /nfs/dbraw/zinc/27/65/72/130276572.db2.gz RYMIFUNASCWNRP-MRXNPFEDSA-N 0 3 275.396 2.318 20 30 CEEDHN CC#CCN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192111600 130373538 /nfs/dbraw/zinc/37/35/38/130373538.db2.gz WZTQHSGDSUIBDL-UONOGXRCSA-N 0 3 251.276 2.408 20 30 CEEDHN N#Cc1ccc(SCCN2CCCOCC2)cc1 ZINC000412998990 394455894 /nfs/dbraw/zinc/45/58/94/394455894.db2.gz ZUMGORSKHLQVAF-UHFFFAOYSA-N 0 3 262.378 2.373 20 30 CEEDHN C=CCN1CCC(Nc2ccc(-n3ccc(C)n3)nn2)CC1 ZINC000301391731 394460528 /nfs/dbraw/zinc/46/05/28/394460528.db2.gz HNFDCFKWTZONIT-UHFFFAOYSA-N 0 3 298.394 2.033 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)C1(C#N)CCCC1 ZINC000044427680 394506548 /nfs/dbraw/zinc/50/65/48/394506548.db2.gz CBHOYJFIHAATGY-ZDUSSCGKSA-N 0 3 265.401 2.163 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CS[C@H](C)C2)CC1 ZINC000413237615 394509586 /nfs/dbraw/zinc/50/95/86/394509586.db2.gz LFLHNDDTKQNELG-OCCSQVGLSA-N 0 3 297.468 2.220 20 30 CEEDHN C=C(C)CN[C@H](C)c1ccc(OCCO)c(OC)c1 ZINC000305773737 394511906 /nfs/dbraw/zinc/51/19/06/394511906.db2.gz LXXGYYWRDRCLHQ-GFCCVEGCSA-N 0 3 265.353 2.293 20 30 CEEDHN C[C@@H]1CC(=O)N[C@H](C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000328929601 394557396 /nfs/dbraw/zinc/55/73/96/394557396.db2.gz YQXXNTNPMHXGSG-MJVIPROJSA-N 0 3 299.440 2.135 20 30 CEEDHN COc1ccc(CC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)nc1 ZINC000329521444 394569385 /nfs/dbraw/zinc/56/93/85/394569385.db2.gz FSRGQKHKCYUNRY-DGCLKSJQSA-N 0 3 289.379 2.214 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)[C@H]2CCC(=O)N2)C1 ZINC000329899286 394593415 /nfs/dbraw/zinc/59/34/15/394593415.db2.gz MWCVBKNZJAAYEB-LLVKDONJSA-N 0 3 267.373 2.184 20 30 CEEDHN C[C@H](NC(=O)C[C@@H]1CCCC(=O)N1)C1=CCN(C)CC1 ZINC000329582071 394574537 /nfs/dbraw/zinc/57/45/37/394574537.db2.gz VIVYVHLBDCWYRZ-AAEUAGOBSA-N 0 3 279.384 2.492 20 30 CEEDHN C[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000329633919 394578348 /nfs/dbraw/zinc/57/83/48/394578348.db2.gz WXHAMLZIAMQJNI-GRYCIOLGSA-N 0 3 276.384 2.349 20 30 CEEDHN C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CCO1 ZINC000329653114 394580007 /nfs/dbraw/zinc/58/00/07/394580007.db2.gz LGXWCOJDSHTKBE-GBJTYRQASA-N 0 3 297.443 2.178 20 30 CEEDHN CC(C)N1CC[C@H](N(C)c2ncc(C#N)cc2F)C1 ZINC000413315760 394524538 /nfs/dbraw/zinc/52/45/38/394524538.db2.gz KQYZLVZBSLESNM-LBPRGKRZSA-N 0 3 262.332 2.011 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC12CC2 ZINC000421428153 394531279 /nfs/dbraw/zinc/53/12/79/394531279.db2.gz GTTDDXCUYRDCJA-INIZCTEOSA-N 0 3 297.402 2.249 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000265947256 394657347 /nfs/dbraw/zinc/65/73/47/394657347.db2.gz KAIZFAGLNZMRKA-KPBXEYHCSA-N 0 3 297.402 2.370 20 30 CEEDHN Cc1ccc(CN(C)CCC(=O)N(C)CCC#N)s1 ZINC000092795927 394663049 /nfs/dbraw/zinc/66/30/49/394663049.db2.gz QNKVNAMKMFYFIP-UHFFFAOYSA-N 0 3 279.409 2.251 20 30 CEEDHN C[NH+](C)C1(CNC(=O)c2csc(=O)[n-]2)CCCC1 ZINC000329952049 394596847 /nfs/dbraw/zinc/59/68/47/394596847.db2.gz NAZSKQFPJGTFRW-UHFFFAOYSA-N 0 3 269.370 2.028 20 30 CEEDHN CCOC(=O)CC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000330429214 394609179 /nfs/dbraw/zinc/60/91/79/394609179.db2.gz LSHUGMVXYBJASK-KGLIPLIRSA-N 0 3 264.369 2.344 20 30 CEEDHN CCn1nccc1NC(=O)NCCN1CCCC[C@H]1C ZINC000330445464 394610000 /nfs/dbraw/zinc/61/00/00/394610000.db2.gz GVMFISLJPUBIPH-GFCCVEGCSA-N 0 3 279.388 2.103 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)c2cccc(NC(C)=O)c2)C1 ZINC000330502657 394615926 /nfs/dbraw/zinc/61/59/26/394615926.db2.gz CLSYZQDDZGIJKL-OAHLLOKOSA-N 0 3 289.379 2.434 20 30 CEEDHN CCC(CC)CN(CCC#N)C(=O)/C=C/CN(C)C ZINC000265718983 394652573 /nfs/dbraw/zinc/65/25/73/394652573.db2.gz YGGAPHNQNQFHEL-VQHVLOKHSA-N 0 3 265.401 2.283 20 30 CEEDHN CC(C)(C#N)CCCN[C@@](C)(C(N)=O)c1ccccc1 ZINC000266916311 394671540 /nfs/dbraw/zinc/67/15/40/394671540.db2.gz NCIGPGJVUCENJG-MRXNPFEDSA-N 0 3 273.380 2.307 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000334329158 394675449 /nfs/dbraw/zinc/67/54/49/394675449.db2.gz IYTLETADHIKUMZ-UWVGGRQHSA-N 0 3 295.745 2.334 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000334393671 394681596 /nfs/dbraw/zinc/68/15/96/394681596.db2.gz BBNYVCURKQXUNC-UKRRQHHQSA-N 0 3 263.385 2.013 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCN(C)[C@@H](C)[C@H]1C ZINC000357011757 394681597 /nfs/dbraw/zinc/68/15/97/394681597.db2.gz YHWJZNIAASVASU-QWHCGFSZSA-N 0 3 273.380 2.091 20 30 CEEDHN C[C@@H]1[C@H](C)N(C)CCN1CC#Cc1ccc(F)cc1 ZINC000334450963 394686594 /nfs/dbraw/zinc/68/65/94/394686594.db2.gz UIWREYZTTLNDCL-UONOGXRCSA-N 0 3 260.356 2.202 20 30 CEEDHN CN(CCOCC1CC1)Cc1ccc(OCC#N)cc1 ZINC000268056041 394688881 /nfs/dbraw/zinc/68/88/81/394688881.db2.gz YBRWAXPDSVPKDY-UHFFFAOYSA-N 0 3 274.364 2.447 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)C2(C#N)CCCCC2)C1 ZINC000334751062 394708183 /nfs/dbraw/zinc/70/81/83/394708183.db2.gz HEAYAIQWRHRPBN-CQSZACIVSA-N 0 3 277.412 2.402 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(F)c(C)c2)CC1 ZINC000103024233 394711858 /nfs/dbraw/zinc/71/18/58/394711858.db2.gz ZGYQFSBNEKTRAN-UHFFFAOYSA-N 0 3 274.339 2.418 20 30 CEEDHN C[C@H](NCCc1cccc(C#N)c1)c1ccn(C)n1 ZINC000414140452 394714297 /nfs/dbraw/zinc/71/42/97/394714297.db2.gz JTKOSQFUSVOENS-LBPRGKRZSA-N 0 3 254.337 2.185 20 30 CEEDHN C=C(CC)CN(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000358626311 394726038 /nfs/dbraw/zinc/72/60/38/394726038.db2.gz RLOKGHGHCIOKRH-GFCCVEGCSA-N 0 3 282.409 2.293 20 30 CEEDHN CC[C@H](NCC(=O)N(CC)CCC#N)c1ccccc1 ZINC000271725876 394762468 /nfs/dbraw/zinc/76/24/68/394762468.db2.gz XNIUDPBQWHQVEU-HNNXBMFYSA-N 0 3 273.380 2.489 20 30 CEEDHN CN(C)CCSCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000120202327 394776295 /nfs/dbraw/zinc/77/62/95/394776295.db2.gz CRNBWPNEGOKHFI-UHFFFAOYSA-N 0 3 297.811 2.445 20 30 CEEDHN C=CCNC(=O)C(C#N)c1nccc2ccccc21 ZINC000359925611 394780805 /nfs/dbraw/zinc/78/08/05/394780805.db2.gz SADUZMYBZQORGT-ZDUSSCGKSA-N 0 3 251.289 2.144 20 30 CEEDHN CCN1CCC(n2nccc2NC(=O)CCCC#N)CC1 ZINC000360147569 394791056 /nfs/dbraw/zinc/79/10/56/394791056.db2.gz BQMAMIUYEOLJCC-UHFFFAOYSA-N 0 3 289.383 2.172 20 30 CEEDHN CC(C)(CCC#N)CN1CCC(F)(F)[C@H](CO)C1 ZINC000361052304 394813457 /nfs/dbraw/zinc/81/34/57/394813457.db2.gz NVGJMOMZKDFBMH-NSHDSACASA-N 0 3 260.328 2.266 20 30 CEEDHN CCCCO[C@@H]1C[C@H](NC(=O)C(C)C#N)C1(C)C ZINC000361092410 394816251 /nfs/dbraw/zinc/81/62/51/394816251.db2.gz HYOQYUAJMVZWIQ-SDDRHHMPSA-N 0 3 252.358 2.246 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC2(C1)CCCCC2 ZINC000130026330 394879510 /nfs/dbraw/zinc/87/95/10/394879510.db2.gz QNTLAJIHEKNOCC-CYBMUJFWSA-N 0 3 293.411 2.043 20 30 CEEDHN CCN1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C#N)c2)C[C@@H]1C ZINC000361706653 394834955 /nfs/dbraw/zinc/83/49/55/394834955.db2.gz BRUUQHKVEJYJIV-NWDGAFQWSA-N 0 3 288.351 2.385 20 30 CEEDHN C[C@@H](C#N)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000125039918 394840988 /nfs/dbraw/zinc/84/09/88/394840988.db2.gz DNKZNYMBFLSLON-GXTWGEPZSA-N 0 3 289.354 2.066 20 30 CEEDHN CC(C)[C@H](CO)NCC#Cc1ccc(Cl)cc1 ZINC000362181848 394847804 /nfs/dbraw/zinc/84/78/04/394847804.db2.gz POAHBRNWQOBRHX-AWEZNQCLSA-N 0 3 251.757 2.298 20 30 CEEDHN C[C@@H]1C[C@H](C)CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000127448664 394852036 /nfs/dbraw/zinc/85/20/36/394852036.db2.gz QEWSCCUGCUZPGN-IOASZLSFSA-N 0 3 285.391 2.453 20 30 CEEDHN C[C@]1(F)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000336408804 394852340 /nfs/dbraw/zinc/85/23/40/394852340.db2.gz CZFKTAYZBMPPKF-HOCLYGCPSA-N 0 3 285.322 2.201 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@H](C)[C@H](C)C1 ZINC000362428974 394861078 /nfs/dbraw/zinc/86/10/78/394861078.db2.gz DQPMIPNIIFLBMS-MJBXVCDLSA-N 0 3 277.412 2.305 20 30 CEEDHN CC1CCN(CCNC(=O)/C=C\c2cccc(C#N)c2)CC1 ZINC000130414306 394887507 /nfs/dbraw/zinc/88/75/07/394887507.db2.gz LRNSJTDNKPAWAO-WAYWQWQTSA-N 0 3 297.402 2.420 20 30 CEEDHN C#CC[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000366943678 394955483 /nfs/dbraw/zinc/95/54/83/394955483.db2.gz FWBMDHSYDSLNDN-IMJJTQAJSA-N 0 3 285.391 2.143 20 30 CEEDHN C=CCOCCN(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000339053685 394938954 /nfs/dbraw/zinc/93/89/54/394938954.db2.gz FWPFXPVMIDVDRB-KBPBESRZSA-N 0 3 271.426 2.176 20 30 CEEDHN N#CCCOCCN1CCC[C@]2(C1)OCc1ccccc12 ZINC000339090523 394941998 /nfs/dbraw/zinc/94/19/98/394941998.db2.gz JQYIJTOGUBRCST-QGZVFWFLSA-N 0 3 286.375 2.438 20 30 CEEDHN C=CCN(C)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000284253127 394942075 /nfs/dbraw/zinc/94/20/75/394942075.db2.gz WJXCKOWKGLGNIX-KRWDZBQOSA-N 0 3 274.408 2.395 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1cnc(OC)c(Cl)c1 ZINC000284457920 394944726 /nfs/dbraw/zinc/94/47/26/394944726.db2.gz SYUXWCSRLVPZEQ-MWLCHTKSSA-N 0 3 270.760 2.331 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CC[C@H](Oc3ccncc3)C2)C1 ZINC000339134155 394945159 /nfs/dbraw/zinc/94/51/59/394945159.db2.gz HCTJFPMGBPHNEE-IPYPFGDCSA-N 0 3 257.337 2.227 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC[C@](O)(C(F)(F)F)CC2)C1 ZINC000339193783 394950197 /nfs/dbraw/zinc/95/01/97/394950197.db2.gz KQZUUOUGVVNGQR-GRYCIOLGSA-N 0 3 276.302 2.458 20 30 CEEDHN C=CCOCCCC(=O)NCc1ccc(CN(C)C)cc1 ZINC000342930795 395027243 /nfs/dbraw/zinc/02/72/43/395027243.db2.gz VPLHFHPWPCGIMF-UHFFFAOYSA-N 0 3 290.407 2.347 20 30 CEEDHN C=CCNC(=O)CN1CCC2(C1)CCCCCC2 ZINC000368397521 394986279 /nfs/dbraw/zinc/98/62/79/394986279.db2.gz NJOMQVBFKWKMGS-UHFFFAOYSA-N 0 3 250.386 2.335 20 30 CEEDHN COC(=O)[C@@H](C)[C@H](NCCCC#N)c1ccccc1 ZINC000152091865 394986918 /nfs/dbraw/zinc/98/69/18/394986918.db2.gz OKNCTQJMSYDDHI-JSGCOSHPSA-N 0 3 260.337 2.430 20 30 CEEDHN CN(C)C/C=C/C(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000285936397 394988303 /nfs/dbraw/zinc/98/83/03/394988303.db2.gz LXAPDEROIWYLDI-ONEGZZNKSA-N 0 3 284.363 2.189 20 30 CEEDHN CC#CCNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000155658159 395029073 /nfs/dbraw/zinc/02/90/73/395029073.db2.gz IWIYVMXWBXKHIB-GOSISDBHSA-N 0 3 299.418 2.364 20 30 CEEDHN Cc1nsc(N2C[C@H](N3CCCC3)C[C@@H]2C)c1C#N ZINC000286237683 395017244 /nfs/dbraw/zinc/01/72/44/395017244.db2.gz FBQAAYXPTZTDEV-CMPLNLGQSA-N 0 3 276.409 2.386 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000339927757 394974665 /nfs/dbraw/zinc/97/46/65/394974665.db2.gz CGFCYZYMUPICEZ-DZGCQCFKSA-N 0 3 272.348 2.354 20 30 CEEDHN C=C(CNC(=O)N(C)CCN(C)C1CC1)c1ccccc1 ZINC000287996004 395051357 /nfs/dbraw/zinc/05/13/57/395051357.db2.gz KZBBUVTULKKPRV-UHFFFAOYSA-N 0 3 287.407 2.435 20 30 CEEDHN C=C(CNC(=O)NCC1=CCN(C)CC1)c1ccccc1 ZINC000288065002 395053004 /nfs/dbraw/zinc/05/30/04/395053004.db2.gz QGDQCZCRNXWDGG-UHFFFAOYSA-N 0 3 285.391 2.261 20 30 CEEDHN Cc1cc(NCCN(C)Cc2ccc(F)cc2)c(C#N)cn1 ZINC000425229704 395053127 /nfs/dbraw/zinc/05/31/27/395053127.db2.gz LGJODOXWIXCUPJ-UHFFFAOYSA-N 0 3 298.365 2.367 20 30 CEEDHN C[C@H]1C[C@@H](N(C)c2ncc3c(c2C#N)CCC3)CCN1C ZINC000425229067 395053325 /nfs/dbraw/zinc/05/33/25/395053325.db2.gz KXJZUQIXAVHUJJ-JSGCOSHPSA-N 0 3 284.407 2.361 20 30 CEEDHN C=C(CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)c1ccccc1 ZINC000288258173 395056351 /nfs/dbraw/zinc/05/63/51/395056351.db2.gz WQGZRNAIYVRHTH-PBHICJAKSA-N 0 3 299.418 2.482 20 30 CEEDHN C=C(CNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1 ZINC000288258177 395056498 /nfs/dbraw/zinc/05/64/98/395056498.db2.gz WQGZRNAIYVRHTH-WMLDXEAASA-N 0 3 299.418 2.482 20 30 CEEDHN C=CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000288330279 395057642 /nfs/dbraw/zinc/05/76/42/395057642.db2.gz ZOXYFZYCDGIJGR-GOEBONIOSA-N 0 3 287.407 2.477 20 30 CEEDHN C=CCN1CCC(Nc2nccnc2OC(F)F)CC1 ZINC000288897368 395067029 /nfs/dbraw/zinc/06/70/29/395067029.db2.gz NOWKDOUGBLCYRA-UHFFFAOYSA-N 0 3 284.310 2.140 20 30 CEEDHN CC#CCN1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000288885455 395067328 /nfs/dbraw/zinc/06/73/28/395067328.db2.gz RJVIEZRINNOBCH-MRXNPFEDSA-N 0 3 261.340 2.076 20 30 CEEDHN C#Cc1ccc(CN(CCCOC)CCOC)cc1 ZINC000289060882 395069144 /nfs/dbraw/zinc/06/91/44/395069144.db2.gz JARIZVXBBPICHM-UHFFFAOYSA-N 0 3 261.365 2.153 20 30 CEEDHN CC(C#N)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345655544 395071601 /nfs/dbraw/zinc/07/16/01/395071601.db2.gz JQTXULBJPXIGLF-RNCFNFMXSA-N 0 3 291.332 2.328 20 30 CEEDHN CC(C#N)C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345655546 395071790 /nfs/dbraw/zinc/07/17/90/395071790.db2.gz JQTXULBJPXIGLF-ZANVPECISA-N 0 3 291.332 2.328 20 30 CEEDHN C#C[C@H](NCc1ccccc1N1CCOCC1)C(C)C ZINC000289373337 395076001 /nfs/dbraw/zinc/07/60/01/395076001.db2.gz LTLMBZBSYJVWBX-INIZCTEOSA-N 0 3 272.392 2.271 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000289719365 395084608 /nfs/dbraw/zinc/08/46/08/395084608.db2.gz JNRXNXBYKFIYMX-JQWIXIFHSA-N 0 3 282.771 2.194 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000289716983 395084924 /nfs/dbraw/zinc/08/49/24/395084924.db2.gz JKAAVNVTJDIWIT-ONGXEEELSA-N 0 3 257.280 2.486 20 30 CEEDHN C=CCOCCCC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346195543 395091340 /nfs/dbraw/zinc/09/13/40/395091340.db2.gz QCNZUXXKWCTMRP-ARFHVFGLSA-N 0 3 294.439 2.158 20 30 CEEDHN N#CCCCCN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375464277 395094294 /nfs/dbraw/zinc/09/42/94/395094294.db2.gz CIMOEULMTQACNV-GFCCVEGCSA-N 0 3 260.341 2.430 20 30 CEEDHN COc1ccccc1O[C@H]1CCCN(C(=O)C(C)C#N)C1 ZINC000343108127 395031982 /nfs/dbraw/zinc/03/19/82/395031982.db2.gz YFPSZHCGZNEKLB-STQMWFEESA-N 0 3 288.347 2.225 20 30 CEEDHN C=CCN(CCOC)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416224392 395033484 /nfs/dbraw/zinc/03/34/84/395033484.db2.gz HNYJHSJWHRMWAI-INIZCTEOSA-N 0 3 290.407 2.340 20 30 CEEDHN CCCN(CC)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000343655991 395042938 /nfs/dbraw/zinc/04/29/38/395042938.db2.gz XDYXGXZQHOTRIW-ZDUSSCGKSA-N 0 3 265.401 2.449 20 30 CEEDHN C#CCN(CC)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000287729510 395046065 /nfs/dbraw/zinc/04/60/65/395046065.db2.gz BSZNXYHQVQFSFL-ZBFHGGJFSA-N 0 3 287.407 2.343 20 30 CEEDHN C=CCCCN(C)CCc1nnnn1-c1ccccc1 ZINC000346954603 395115134 /nfs/dbraw/zinc/11/51/34/395115134.db2.gz ALCRVWAQMLUTDU-UHFFFAOYSA-N 0 3 271.368 2.103 20 30 CEEDHN Cc1cc(C)c2ncc(C#N)c(N3CC(N(C)C)C3)c2c1 ZINC000347412750 395123751 /nfs/dbraw/zinc/12/37/51/395123751.db2.gz JIZIUSZNFMHEOV-UHFFFAOYSA-N 0 3 280.375 2.474 20 30 CEEDHN CC(C)C[C@@H](CO)N(C)Cc1ccc(C#N)s1 ZINC000290566904 395108614 /nfs/dbraw/zinc/10/86/14/395108614.db2.gz SRZUWDNTNLQIQC-NSHDSACASA-N 0 3 252.383 2.459 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ncon1 ZINC000346823091 395108645 /nfs/dbraw/zinc/10/86/45/395108645.db2.gz BSDWSPNKVDKFQO-DGCLKSJQSA-N 0 3 284.319 2.019 20 30 CEEDHN N#Cc1cccc(OCCN2CC[C@@H](n3cccn3)C2)c1 ZINC000291640547 395147559 /nfs/dbraw/zinc/14/75/59/395147559.db2.gz DRPWSZZZUNCDOK-OAHLLOKOSA-N 0 3 282.347 2.081 20 30 CEEDHN CC(C#N)C(=O)NCc1cccc(OC(C)(C)C)n1 ZINC000348865470 395154199 /nfs/dbraw/zinc/15/41/99/395154199.db2.gz INJRYNNSQNYIBY-JTQLQIEISA-N 0 3 261.325 2.035 20 30 CEEDHN C[C@@H]1CC[C@@H](N(C)CC(=O)NCc2cccc(C#N)c2)C1 ZINC000429575994 395158250 /nfs/dbraw/zinc/15/82/50/395158250.db2.gz FMMUERJWZFUAMM-CZUORRHYSA-N 0 3 285.391 2.295 20 30 CEEDHN COc1ccc(CN[C@H]2CCOC2)cc1OCCCC#N ZINC000178996733 395176497 /nfs/dbraw/zinc/17/64/97/395176497.db2.gz ISKGYWAKDGFBCL-AWEZNQCLSA-N 0 3 290.363 2.256 20 30 CEEDHN C#CCNC(=O)CCN(C)Cc1ccccc1C(F)(F)F ZINC000293360346 395231614 /nfs/dbraw/zinc/23/16/14/395231614.db2.gz FCEPJPNHJOUMJD-UHFFFAOYSA-N 0 3 298.308 2.277 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC2(C3CC3)CC2)CC1 ZINC000179219175 395184823 /nfs/dbraw/zinc/18/48/23/395184823.db2.gz SNUFAXCCTNLHMM-UHFFFAOYSA-N 0 3 277.412 2.126 20 30 CEEDHN CC(F)(F)CCCNCc1cnc2c(C#N)cnn2c1 ZINC000519156896 395195692 /nfs/dbraw/zinc/19/56/92/395195692.db2.gz YVTCBXVUWIKTFN-UHFFFAOYSA-N 0 3 279.294 2.126 20 30 CEEDHN C=C(C)CCN1CCSC[C@H]1c1cnn(C)c1 ZINC000352415666 395251452 /nfs/dbraw/zinc/25/14/52/395251452.db2.gz YUFVMSRKZLNDPE-ZDUSSCGKSA-N 0 3 251.399 2.476 20 30 CEEDHN CC[C@@H](CN(CCOC)Cc1ccc(C#N)cc1)OC ZINC000419192231 395251577 /nfs/dbraw/zinc/25/15/77/395251577.db2.gz NMOLXQOLJBRYBF-INIZCTEOSA-N 0 3 276.380 2.432 20 30 CEEDHN C[C@@H](CNC(=O)NCCCCC#N)N1CCCC[C@@H]1C ZINC000351353893 395206885 /nfs/dbraw/zinc/20/68/85/395206885.db2.gz UZUWDGUUFNGMKH-KBPBESRZSA-N 0 3 280.416 2.242 20 30 CEEDHN CC#CCN(C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000293045692 395216968 /nfs/dbraw/zinc/21/69/68/395216968.db2.gz HLSMDZNNELZBBG-AWEZNQCLSA-N 0 3 251.757 2.199 20 30 CEEDHN C=CCC(F)(F)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000293056706 395217449 /nfs/dbraw/zinc/21/74/49/395217449.db2.gz LDPKIEBHKFJBDW-UHFFFAOYSA-N 0 3 272.339 2.355 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@@]1(C)Cc1ccccc1 ZINC000186056687 395285323 /nfs/dbraw/zinc/28/53/23/395285323.db2.gz QPGWJDZWTOPXBC-KRWDZBQOSA-N 0 3 272.392 2.386 20 30 CEEDHN Cc1nnc(NC[C@H]2CCN2C2CCCC2)c(C#N)c1C ZINC000528210883 395287265 /nfs/dbraw/zinc/28/72/65/395287265.db2.gz QNPXVKCMNQBFNL-CQSZACIVSA-N 0 3 285.395 2.394 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528766782 395294109 /nfs/dbraw/zinc/29/41/09/395294109.db2.gz SHVDVJPWFPQRQG-BUWBCJGYSA-N 0 3 274.364 2.468 20 30 CEEDHN CC1(N2CCOCC2)CCN(Cc2ccccc2C#N)CC1 ZINC000528728402 395294189 /nfs/dbraw/zinc/29/41/89/395294189.db2.gz AZCMLTYFMRWPLV-UHFFFAOYSA-N 0 3 299.418 2.245 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528766792 395294328 /nfs/dbraw/zinc/29/43/28/395294328.db2.gz SHVDVJPWFPQRQG-YWDSYVAPSA-N 0 3 274.364 2.468 20 30 CEEDHN CC(C)N(CCO)Cc1ccc(C#N)cc1OC(F)F ZINC000434710896 395327090 /nfs/dbraw/zinc/32/70/90/395327090.db2.gz KSNBQXNXGGFTIF-UHFFFAOYSA-N 0 3 284.306 2.362 20 30 CEEDHN CC(C)OCCCN(C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000354236102 395322599 /nfs/dbraw/zinc/32/25/99/395322599.db2.gz GLJKSSCUBYNDIQ-GDBMZVCRSA-N 0 3 297.443 2.176 20 30 CEEDHN CCCCNC(=O)[C@@H]1CCCN([C@H](C)CCC#N)C1 ZINC000411222270 395322981 /nfs/dbraw/zinc/32/29/81/395322981.db2.gz NTHKMOMDUWHXNG-ZIAGYGMSSA-N 0 3 265.401 2.307 20 30 CEEDHN CCCCNC(=O)[C@H]1CCCN([C@H](C)CCC#N)C1 ZINC000411222267 395323234 /nfs/dbraw/zinc/32/32/34/395323234.db2.gz NTHKMOMDUWHXNG-KGLIPLIRSA-N 0 3 265.401 2.307 20 30 CEEDHN CCCC(=O)NC[C@H]1CCCN([C@H](C)CCC#N)C1 ZINC000411227484 395323463 /nfs/dbraw/zinc/32/34/63/395323463.db2.gz PGIPGRIDBZSQTD-ZIAGYGMSSA-N 0 3 265.401 2.307 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C[C@@H]2C[C@@H]2C)CC1 ZINC000354254452 395324003 /nfs/dbraw/zinc/32/40/03/395324003.db2.gz KPIUMLQCCBBCMN-STQMWFEESA-N 0 3 250.386 2.189 20 30 CEEDHN C[C@@H]1C[C@H](C)N1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000525940628 395272522 /nfs/dbraw/zinc/27/25/22/395272522.db2.gz DNEWBILMLYCVON-TYNCELHUSA-N 0 3 267.332 2.250 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NCC(C)(C)N1CCCCC1 ZINC000435382950 395367362 /nfs/dbraw/zinc/36/73/62/395367362.db2.gz DDSFTHAWCKAWSL-UHFFFAOYSA-N 0 3 289.379 2.454 20 30 CEEDHN C[C@@H](O)CN1CCN(CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411576248 395332040 /nfs/dbraw/zinc/33/20/40/395332040.db2.gz XIRUICFLDJUADD-HZPDHXFCSA-N 0 3 293.455 2.237 20 30 CEEDHN OC[C@@H](NCC#Cc1ccc(Cl)cc1)[C@H]1CCCOC1 ZINC000411996078 395345117 /nfs/dbraw/zinc/34/51/17/395345117.db2.gz RHMDQUAYLZEVLY-GOEBONIOSA-N 0 3 293.794 2.069 20 30 CEEDHN Cc1cc(CNCCOC(F)(F)F)ccc1C#N ZINC000443994320 395409250 /nfs/dbraw/zinc/40/92/50/395409250.db2.gz OCDFUHGWOGJIHT-UHFFFAOYSA-N 0 3 258.243 2.493 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)nc1 ZINC000566413964 395520160 /nfs/dbraw/zinc/52/01/60/395520160.db2.gz KFDQZVAQLNPQLJ-CRAIPNDOSA-N 0 3 296.418 2.402 20 30 CEEDHN N#Cc1c(C(F)F)cccc1N1CCCN(CCO)CC1 ZINC000573815421 395620206 /nfs/dbraw/zinc/62/02/06/395620206.db2.gz QHCVIZJFDMAURQ-UHFFFAOYSA-N 0 3 295.333 2.000 20 30 CEEDHN COC(=O)c1occc1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000449446414 395549036 /nfs/dbraw/zinc/54/90/36/395549036.db2.gz QPMUXZNXDVUPJB-JQWIXIFHSA-N 0 3 262.309 2.238 20 30 CEEDHN COc1cc(CN2CC[C@H](OC)[C@H](C)C2)ccc1C#N ZINC000449510291 395552028 /nfs/dbraw/zinc/55/20/28/395552028.db2.gz XBENCZJMKCIZFQ-DOMZBBRYSA-N 0 3 274.364 2.424 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)o1 ZINC000449551545 395554152 /nfs/dbraw/zinc/55/41/52/395554152.db2.gz GWCOJTIHJRJFFG-FRRDWIJNSA-N 0 3 260.337 2.134 20 30 CEEDHN CC[C@@H]1CN(CC)CCN1Cc1cccc(C#N)c1 ZINC000449566382 395555348 /nfs/dbraw/zinc/55/53/48/395555348.db2.gz OGSBBQUDTGBEHC-MRXNPFEDSA-N 0 3 257.381 2.474 20 30 CEEDHN CCC[C@H](C(=O)N1CCC(CCC#N)CC1)N(C)C ZINC000569931319 395580882 /nfs/dbraw/zinc/58/08/82/395580882.db2.gz VITLCJFMTBJJMJ-CQSZACIVSA-N 0 3 265.401 2.259 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H]1CCC[C@H]1OC ZINC000451628289 395623865 /nfs/dbraw/zinc/62/38/65/395623865.db2.gz DRPOHIAHJMWERP-ZIAGYGMSSA-N 0 3 260.337 2.224 20 30 CEEDHN CC(C)[C@@H]1CN(Cc2cccc(C#N)c2F)CCN1C ZINC000488030452 395667782 /nfs/dbraw/zinc/66/77/82/395667782.db2.gz YSTFGTNQFKOICC-HNNXBMFYSA-N 0 3 275.371 2.469 20 30 CEEDHN CCN1C[C@@H](C)N(c2ccc(C#N)c(C)n2)C[C@@H]1C ZINC000488107984 395668156 /nfs/dbraw/zinc/66/81/56/395668156.db2.gz RNQLYZJOSVJBTB-NWDGAFQWSA-N 0 3 258.369 2.181 20 30 CEEDHN C#CCNC(=O)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000491105975 395669120 /nfs/dbraw/zinc/66/91/20/395669120.db2.gz XBZRTAYPMCNJPE-AWEZNQCLSA-N 0 3 295.386 2.081 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)/C=C\c1cccc(C#N)c1 ZINC000493135818 395671307 /nfs/dbraw/zinc/67/13/07/395671307.db2.gz CMWNTQDWGCZGGY-QWGSZXSUSA-N 0 3 283.375 2.124 20 30 CEEDHN CC(C)[C@@H]1CN(C(=O)/C=C\c2cccc(C#N)c2)CCN1C ZINC000493770402 395673879 /nfs/dbraw/zinc/67/38/79/395673879.db2.gz JKRKRMRCESUEEH-QWPQOLDESA-N 0 3 297.402 2.370 20 30 CEEDHN C=CCOc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1 ZINC000646921035 396391646 /nfs/dbraw/zinc/39/16/46/396391646.db2.gz YYDXSFCVYHHRSE-GDBMZVCRSA-N 0 3 286.375 2.028 20 30 CEEDHN C=CC[C@@H](CO)NCc1cnn(-c2ccccc2C)c1 ZINC000647201523 396439054 /nfs/dbraw/zinc/43/90/54/396439054.db2.gz QYIPEMRHYOJNMR-HNNXBMFYSA-N 0 3 271.364 2.207 20 30 CEEDHN C=CCCCCCN(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000150899128 400281998 /nfs/dbraw/zinc/28/19/98/400281998.db2.gz HHEUOQQZILVJPB-MRXNPFEDSA-N 0 3 277.412 2.473 20 30 CEEDHN C[C@@H]1CN(Cc2cccc(C#N)c2F)C[C@H](C)N1C ZINC000219274648 400310086 /nfs/dbraw/zinc/31/00/86/400310086.db2.gz XWCQPVYGZFHVOX-TXEJJXNPSA-N 0 3 261.344 2.222 20 30 CEEDHN C[C@H](C(=O)NC1CCN(C2CC2)CC1)c1cccc(C#N)c1 ZINC000359926376 155171169 /nfs/dbraw/zinc/17/11/69/155171169.db2.gz VAKKMNHBOIHVHS-ZDUSSCGKSA-N 0 3 297.402 2.405 20 30 CEEDHN N#Cc1ccc([C@H](NCCCc2ccccc2)C(N)=O)cc1 ZINC000360074449 155209790 /nfs/dbraw/zinc/20/97/90/155209790.db2.gz IXMYFBNZBNJOSB-KRWDZBQOSA-N 0 3 293.370 2.307 20 30 CEEDHN C[C@H](C(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1cccc(C#N)c1 ZINC000360377864 155287026 /nfs/dbraw/zinc/28/70/26/155287026.db2.gz JZJVZSPIQWCRQI-SUMWQHHRSA-N 0 3 297.402 2.357 20 30 CEEDHN COC[C@H](CCO)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360647846 155343421 /nfs/dbraw/zinc/34/34/21/155343421.db2.gz OCFADNUSBWLAAS-DOTOQJQBSA-N 0 3 288.391 2.313 20 30 CEEDHN COC(=O)[C@@]12CCC[C@@H]1CN(Cc1cccc(C#N)c1)C2 ZINC000360678241 155349315 /nfs/dbraw/zinc/34/93/15/155349315.db2.gz CMHNZDJMLXBYCD-NVXWUHKLSA-N 0 3 284.359 2.333 20 30 CEEDHN CCNC(=O)[C@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360837385 155384463 /nfs/dbraw/zinc/38/44/63/155384463.db2.gz PQKWHQCMMPNCQI-BLLLJJGKSA-N 0 3 285.391 2.440 20 30 CEEDHN C[C@H](N[C@@H](CO)C1CCOCC1)c1ccc(C#N)cc1F ZINC000360837068 155384907 /nfs/dbraw/zinc/38/49/07/155384907.db2.gz VETWICXKVZPQPK-ZBEGNZNMSA-N 0 3 292.354 2.135 20 30 CEEDHN C[C@H](CC(=O)OC(C)(C)C)NCc1cc(C#N)n(C)c1 ZINC000359733821 155125186 /nfs/dbraw/zinc/12/51/86/155125186.db2.gz IGLNWZFLJATHEG-LLVKDONJSA-N 0 3 277.368 2.107 20 30 CEEDHN C[C@]1(NCc2cnc3ccc(C#N)cn23)CCO[C@H]1C1CC1 ZINC000367437049 156186862 /nfs/dbraw/zinc/18/68/62/156186862.db2.gz HUQRCJIMBZJGDC-IRXDYDNUSA-N 0 3 296.374 2.253 20 30 CEEDHN CC(C)[C@@]1(CO)CCN(Cc2ccc(C#N)cc2)C1 ZINC000368095508 156285900 /nfs/dbraw/zinc/28/59/00/156285900.db2.gz QNTZVUOQDOAQJX-INIZCTEOSA-N 0 3 258.365 2.399 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@@H]3CCCc4cn[nH]c43)n2c1 ZINC000375267518 157070180 /nfs/dbraw/zinc/07/01/80/157070180.db2.gz KBWPSTWEOVEXAC-CQSZACIVSA-N 0 3 292.346 2.096 20 30 CEEDHN C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1)c1cccc(C#N)c1 ZINC000376177308 157195304 /nfs/dbraw/zinc/19/53/04/157195304.db2.gz GSNBOVQRNPPAEG-XJKSGUPXSA-N 0 3 295.390 2.221 20 30 CEEDHN C[C@H](CCN[C@@H](C)c1cccc(C#N)c1)[S@](C)=O ZINC000164652795 162334235 /nfs/dbraw/zinc/33/42/35/162334235.db2.gz WKHWSWXRTYTGLD-FTLABTOESA-N 0 3 264.394 2.366 20 30 CEEDHN CCCN1CCC(Nc2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000167487645 162359786 /nfs/dbraw/zinc/35/97/86/162359786.db2.gz WNQXDQBDKRIHJR-UHFFFAOYSA-N 0 3 289.339 2.148 20 30 CEEDHN CO[C@@]1(C)C[C@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000554078182 298503072 /nfs/dbraw/zinc/50/30/72/298503072.db2.gz UXWWTKINMOBQGS-ZFWWWQNUSA-N 0 3 259.353 2.246 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000178535316 165245466 /nfs/dbraw/zinc/24/54/66/165245466.db2.gz KDWXBPFOTQLCDK-OAHLLOKOSA-N 0 3 296.374 2.345 20 30 CEEDHN C[C@H](NCc1cccc(C#N)c1)C(C)(C)n1cncn1 ZINC000284321447 196030029 /nfs/dbraw/zinc/03/00/29/196030029.db2.gz ZVOTVHQOTGTEHX-LBPRGKRZSA-N 0 3 269.352 2.063 20 30 CEEDHN N#Cc1ccc(CNC2(CCO)CCCC2)c(F)c1 ZINC000285517449 196312238 /nfs/dbraw/zinc/31/22/38/196312238.db2.gz OADLTBZZSRGLPG-UHFFFAOYSA-N 0 3 262.328 2.482 20 30 CEEDHN C=CCN(CCOC)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660403521 414805711 /nfs/dbraw/zinc/80/57/11/414805711.db2.gz QPNSYTKITXMOBI-HNNXBMFYSA-N 0 3 296.455 2.406 20 30 CEEDHN C=CCCn1cc(CN[C@@H](C)CN2CCC[C@H](C)C2)nn1 ZINC000657327963 414865119 /nfs/dbraw/zinc/86/51/19/414865119.db2.gz ORPRCLXTEQOLIL-GJZGRUSLSA-N 0 3 291.443 2.064 20 30 CEEDHN C[C@H]1[C@@H](Nc2ccnc(C#N)n2)CCN1Cc1ccccc1 ZINC000309970591 414856313 /nfs/dbraw/zinc/85/63/13/414856313.db2.gz NIHXBESSMACMKR-ZFWWWQNUSA-N 0 3 293.374 2.423 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](CCF)C2)CC1 ZINC000660703580 414940116 /nfs/dbraw/zinc/94/01/16/414940116.db2.gz DAGNFNZKEAXJCV-CQSZACIVSA-N 0 3 297.418 2.418 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)NCCN(C)C2CC2)C1 ZINC000660840030 415000301 /nfs/dbraw/zinc/00/03/01/415000301.db2.gz GVTMUQJFRBTBSV-ZDUSSCGKSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CCCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000663447921 414954944 /nfs/dbraw/zinc/95/49/44/414954944.db2.gz XXODGYWLDJGTRJ-HNNXBMFYSA-N 0 3 275.396 2.035 20 30 CEEDHN C=CCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000660958464 415051985 /nfs/dbraw/zinc/05/19/85/415051985.db2.gz ISHMIGFOWYLJFT-CABCVRRESA-N 0 3 273.380 2.307 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc2n1CCC2 ZINC000657830836 415097758 /nfs/dbraw/zinc/09/77/58/415097758.db2.gz PHERRRNDYSOHGZ-CHWSQXEVSA-N 0 3 260.385 2.449 20 30 CEEDHN OC[C@@H](NCC#Cc1ccc(Cl)cc1)C1CCC1 ZINC000661153963 415112556 /nfs/dbraw/zinc/11/25/56/415112556.db2.gz KJRQHNKBZQGSDG-OAHLLOKOSA-N 0 3 263.768 2.442 20 30 CEEDHN COC[C@@H](NCC#Cc1ccc(F)cc1)C1CCOCC1 ZINC000661157528 415114758 /nfs/dbraw/zinc/11/47/58/415114758.db2.gz HQNLTWTXBZIDPF-QGZVFWFLSA-N 0 3 291.366 2.208 20 30 CEEDHN C=C(C)CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659045387 415397736 /nfs/dbraw/zinc/39/77/36/415397736.db2.gz VXJMEPMMGQLNMH-OAHLLOKOSA-N 0 3 289.379 2.435 20 30 CEEDHN C=CCN(CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C(C)(C)C ZINC000661755103 415446143 /nfs/dbraw/zinc/44/61/43/415446143.db2.gz KAECACKBAUCOPB-GJZGRUSLSA-N 0 3 294.439 2.443 20 30 CEEDHN C=CCNC(=O)CN1CCCC[C@H]1CC1CCC1 ZINC000662158450 415661357 /nfs/dbraw/zinc/66/13/57/415661357.db2.gz UKXDKAIKGFCKIP-AWEZNQCLSA-N 0 3 250.386 2.333 20 30 CEEDHN C[C@H](CNc1nc(C(F)(F)F)ccc1C#N)N(C)C ZINC000078833606 177395747 /nfs/dbraw/zinc/39/57/47/177395747.db2.gz JYWBHVUXNZGZCD-MRVPVSSYSA-N 0 3 272.274 2.334 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(C)cc1 ZINC000079323865 177468533 /nfs/dbraw/zinc/46/85/33/177468533.db2.gz BZTLKXSKKXOMCS-OLZOCXBDSA-N 0 3 289.379 2.046 20 30 CEEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000320351916 262628520 /nfs/dbraw/zinc/62/85/20/262628520.db2.gz FRZCDBZKPWCWIV-JSGCOSHPSA-N 0 3 297.420 2.068 20 30 CEEDHN CC(C#N)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000334832171 225325815 /nfs/dbraw/zinc/32/58/15/225325815.db2.gz UUMNYKJNPMZOQF-LBPRGKRZSA-N 0 3 285.347 2.023 20 30 CEEDHN CC(C#N)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000334832170 225326223 /nfs/dbraw/zinc/32/62/23/225326223.db2.gz UUMNYKJNPMZOQF-GFCCVEGCSA-N 0 3 285.347 2.023 20 30 CEEDHN COc1cc([C@@H](C)NC(=O)C(C)C#N)cc(OC)c1OC ZINC000347067597 226012291 /nfs/dbraw/zinc/01/22/91/226012291.db2.gz LGCUVCIRLKOEBZ-VHSXEESVSA-N 0 3 292.335 2.049 20 30 CEEDHN Cc1cccc(C)c1OC[C@@H](C)NC(=O)C(C)C#N ZINC000347070544 226013400 /nfs/dbraw/zinc/01/34/00/226013400.db2.gz OEXISCJEBHEIPV-CHWSQXEVSA-N 0 3 260.337 2.347 20 30 CEEDHN CC(C#N)C(=O)N1CCC(OCCc2ccccc2)CC1 ZINC000347030645 226020048 /nfs/dbraw/zinc/02/00/48/226020048.db2.gz CHQIHFFKUUVHAA-AWEZNQCLSA-N 0 3 286.375 2.396 20 30 CEEDHN C=CCSCCNC(=O)NC[C@@H]1CCCCN1CC ZINC000171845883 335082482 /nfs/dbraw/zinc/08/24/82/335082482.db2.gz PYQOVEQEDCSGAU-ZDUSSCGKSA-N 0 3 285.457 2.079 20 30 CEEDHN CC(C#N)C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000334156378 227337931 /nfs/dbraw/zinc/33/79/31/227337931.db2.gz YGQXKUKTKOBULE-NSHDSACASA-N 0 3 280.331 2.338 20 30 CEEDHN C[C@H](NC(=O)[C@H](C)N1CCCCCC1)c1ncnn1C ZINC000330031184 228021886 /nfs/dbraw/zinc/02/18/86/228021886.db2.gz SUVZQFDYOPMIRU-RYUDHWBXSA-N 0 3 279.388 2.097 20 30 CEEDHN C[C@H](C(=O)NCCN1CCCCC1)c1cncnc1 ZINC000330293769 228103953 /nfs/dbraw/zinc/10/39/53/228103953.db2.gz IAPMMWSSRMMHIP-LBPRGKRZSA-N 0 3 262.357 2.023 20 30 CEEDHN Cc1nccc(NC(=O)C2CCN(C3CC3)CC2)n1 ZINC000330111035 228041538 /nfs/dbraw/zinc/04/15/38/228041538.db2.gz ASPPQGIGZZACPN-UHFFFAOYSA-N 0 3 260.341 2.247 20 30 CEEDHN N#CC[C@H](CC(=O)NCCN1CCCC1)c1ccccc1 ZINC000353827090 228156738 /nfs/dbraw/zinc/15/67/38/228156738.db2.gz NSEBFHAHZUFNJG-MRXNPFEDSA-N 0 3 285.391 2.286 20 30 CEEDHN C[C@@]1(c2ccccc2)CCCN(CC(=O)NCC#N)CC1 ZINC000352196092 228195108 /nfs/dbraw/zinc/19/51/08/228195108.db2.gz WLWDXQUSPCCFOK-QGZVFWFLSA-N 0 3 285.391 2.070 20 30 CEEDHN N#CC(C(=O)Nc1cc(F)cc(F)c1)c1ccncn1 ZINC000352307775 228217223 /nfs/dbraw/zinc/21/72/23/228217223.db2.gz VKXNVDWBTXHSAH-LLVKDONJSA-N 0 3 274.230 2.001 20 30 CEEDHN C#CCOc1ccc(CNCC[S@@](=O)C(C)(C)C)cc1 ZINC000116920971 260007868 /nfs/dbraw/zinc/00/78/68/260007868.db2.gz TVZLDVRPRPKXCH-FQEVSTJZSA-N 0 3 293.432 2.335 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000298781168 260162621 /nfs/dbraw/zinc/16/26/21/260162621.db2.gz UDAYRQGSXATKQN-UHFFFAOYSA-N 0 3 292.766 2.329 20 30 CEEDHN C#CCN(CC)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000299148767 260173508 /nfs/dbraw/zinc/17/35/08/260173508.db2.gz KKXBFLKLTWTWBO-UHFFFAOYSA-N 0 3 270.376 2.378 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)[C@@H](C)NC1CC1 ZINC000449105297 260219532 /nfs/dbraw/zinc/21/95/32/260219532.db2.gz CVZADZHVPYBYSF-CQSZACIVSA-N 0 3 272.392 2.384 20 30 CEEDHN N#Cc1ccc(CNC2(CCO)CCCCC2)nc1 ZINC000518212279 260356717 /nfs/dbraw/zinc/35/67/17/260356717.db2.gz NBJUPYYRTVONHT-UHFFFAOYSA-N 0 3 259.353 2.128 20 30 CEEDHN CC1(C)[C@@H](O)C[C@@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000128282668 260372546 /nfs/dbraw/zinc/37/25/46/260372546.db2.gz CNSAWTBALIZGAL-GWUWNPHMSA-N 0 3 270.376 2.359 20 30 CEEDHN CCN(CCc1ccccc1)[C@@H](C)C(=O)N(C)CCC#N ZINC000154066404 261087465 /nfs/dbraw/zinc/08/74/65/261087465.db2.gz ANKPYHROOTTXOY-HNNXBMFYSA-N 0 3 287.407 2.312 20 30 CEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000448734645 261090218 /nfs/dbraw/zinc/09/02/18/261090218.db2.gz IBOGLQOZYLATRB-WBMJQRKESA-N 0 3 287.363 2.115 20 30 CEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)[C@]1(C#N)C[C@@H]1C ZINC000448788372 261110666 /nfs/dbraw/zinc/11/06/66/261110666.db2.gz WVUPXOMWRWCBAI-RGHULWKBSA-N 0 3 277.412 2.019 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000490555219 261161792 /nfs/dbraw/zinc/16/17/92/261161792.db2.gz ACECXYFBXHZIOW-HIFRSBDPSA-N 0 3 262.397 2.027 20 30 CEEDHN CC[C@H](Cc1ccc(C)cc1)N(CC)CC(=O)NCC#N ZINC000173992404 261174114 /nfs/dbraw/zinc/17/41/14/261174114.db2.gz KTFWPYNLNKLPOV-MRXNPFEDSA-N 0 3 287.407 2.278 20 30 CEEDHN CCCN(CCCC(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000174819122 261197629 /nfs/dbraw/zinc/19/76/29/261197629.db2.gz VJDVJIMCVIJPLV-CYBMUJFWSA-N 0 3 286.441 2.215 20 30 CEEDHN C#C[C@@H](CC)NCc1cc(OC)c(OC)c(OC)c1 ZINC000229899926 261236203 /nfs/dbraw/zinc/23/62/03/261236203.db2.gz MWDWCWYHLQMWSC-LBPRGKRZSA-N 0 3 263.337 2.214 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc2ncsc2c1 ZINC000491046654 261310634 /nfs/dbraw/zinc/31/06/34/261310634.db2.gz QXRJMRPSRCNXMF-WDEREUQCSA-N 0 3 287.388 2.085 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000491067716 261315146 /nfs/dbraw/zinc/31/51/46/261315146.db2.gz JUBIYNMGAOQKAI-ZDUSSCGKSA-N 0 3 298.308 2.409 20 30 CEEDHN C#C[C@@H](CC)NCc1ccc(OCCOC)c(OC)c1 ZINC000491231529 261381945 /nfs/dbraw/zinc/38/19/45/261381945.db2.gz UIWRQWYRBCZIGU-AWEZNQCLSA-N 0 3 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259.349 2.397 20 30 CEEDHN C[C@@H](CN1CCCCCC1)NC(=O)C1(C#N)CCCC1 ZINC000186284132 262313290 /nfs/dbraw/zinc/31/32/90/262313290.db2.gz GOQBSZONKLSEPB-AWEZNQCLSA-N 0 3 277.412 2.451 20 30 CEEDHN O=C1C[C@H]([C@H]2CCCCN2CC#Cc2ccccc2)CN1 ZINC000365270993 262357064 /nfs/dbraw/zinc/35/70/64/262357064.db2.gz GJCXUDFKPNWSSM-DLBZAZTESA-N 0 3 282.387 2.029 20 30 CEEDHN CCS(=O)(=O)Nc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000273257631 263014513 /nfs/dbraw/zinc/01/45/13/263014513.db2.gz MHDONFPYXBFGEN-GFCCVEGCSA-N 0 3 295.408 2.403 20 30 CEEDHN CN1CCC(CC(=O)N(CCC#N)Cc2ccco2)CC1 ZINC000273281481 263014725 /nfs/dbraw/zinc/01/47/25/263014725.db2.gz WQIZCPKJUFRRCN-UHFFFAOYSA-N 0 3 289.379 2.254 20 30 CEEDHN CN1CC[C@H](NC(=O)NCCCC#N)[C@@H]1c1ccccc1 ZINC000273512883 263017564 /nfs/dbraw/zinc/01/75/64/263017564.db2.gz IWPGBYUGICJZFK-GJZGRUSLSA-N 0 3 286.379 2.035 20 30 CEEDHN CC[C@@H](CC#N)N[C@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000274421838 263023908 /nfs/dbraw/zinc/02/39/08/263023908.db2.gz LKUXXERYPHGWKL-OLZOCXBDSA-N 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2.344 20 30 CEEDHN CC1=C(C(=O)N[C@H](CO)CN2CCCCC2)CCC1 ZINC000331320154 264188836 /nfs/dbraw/zinc/18/88/36/264188836.db2.gz DVJHBQZGCPGRGL-ZDUSSCGKSA-N 0 3 266.385 2.290 20 30 CEEDHN CN(C)Cc1cccc(C(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000334074183 264229584 /nfs/dbraw/zinc/22/95/84/264229584.db2.gz JTYKQIKLUYMCNQ-GJZGRUSLSA-N 0 3 271.364 2.170 20 30 CEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425468412 264342209 /nfs/dbraw/zinc/34/22/09/264342209.db2.gz DNSFNTJYOSGLDS-APIJFGDWSA-N 0 3 292.427 2.098 20 30 CEEDHN C=CCCCN(C)CC(=O)NCCOc1cccc(F)c1 ZINC000076735079 264344235 /nfs/dbraw/zinc/34/42/35/264344235.db2.gz MBGGWDSSFMIPTM-UHFFFAOYSA-N 0 3 294.370 2.219 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000424935299 264384746 /nfs/dbraw/zinc/38/47/46/264384746.db2.gz XRETUTHUIKMFIE-HRCADAONSA-N 0 3 294.439 2.204 20 30 CEEDHN C=CCOc1cccc(CN2CCC[C@H](CC(N)=O)C2)c1 ZINC000180063303 264391517 /nfs/dbraw/zinc/39/15/17/264391517.db2.gz 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/nfs/dbraw/zinc/49/23/31/266492331.db2.gz MLVZKGWRGDLRSX-RYUDHWBXSA-N 0 3 282.409 2.176 20 30 CEEDHN CC(=O)c1ccc(C#N)c(N(C)C[C@H]2CCCN2C)c1 ZINC000420635282 266843925 /nfs/dbraw/zinc/84/39/25/266843925.db2.gz LZADMDPLZZMADO-OAHLLOKOSA-N 0 3 271.364 2.291 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1cn(C)nc1C ZINC000362828366 267052707 /nfs/dbraw/zinc/05/27/07/267052707.db2.gz FQMGSCLVHLVWMS-UKRRQHHQSA-N 0 3 263.385 2.193 20 30 CEEDHN C[C@@H]1[C@H](C)CN(CC(=O)Nc2ccc(C#N)cc2)[C@H]1C ZINC000399689641 267107516 /nfs/dbraw/zinc/10/75/16/267107516.db2.gz UKRYEKCJJMMNLT-UPJWGTAASA-N 0 3 271.364 2.473 20 30 CEEDHN C#CCOc1ccccc1CN1CC[C@H](c2nccn2C)C1 ZINC000367702031 267111484 /nfs/dbraw/zinc/11/14/84/267111484.db2.gz LNTBUSCKRJDPFT-INIZCTEOSA-N 0 3 295.386 2.422 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000367975878 267131825 /nfs/dbraw/zinc/13/18/25/267131825.db2.gz FCRPAWORRXIZQZ-KGLIPLIRSA-N 0 3 278.396 2.199 20 30 CEEDHN CCO[C@@H]1CCN(Cc2cc(C#N)n(C)c2)C[C@H]1C 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CC[C@H]1CN(CC)CCN1c1ccc(C#N)c(C)n1 ZINC000450821815 267230818 /nfs/dbraw/zinc/23/08/18/267230818.db2.gz AKTJJIRNYAORQX-AWEZNQCLSA-N 0 3 258.369 2.182 20 30 CEEDHN CN(C(=O)/C=C\c1cccc(C#N)c1)[C@H]1CCN(C2CC2)C1 ZINC000491683852 267270507 /nfs/dbraw/zinc/27/05/07/267270507.db2.gz BHBQFPHCUAWJAD-AFCDSYGPSA-N 0 3 295.386 2.267 20 30 CEEDHN C#CCN1CC[C@@]2(CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000370100135 267290817 /nfs/dbraw/zinc/29/08/17/267290817.db2.gz FHJZHPCXQOYVSN-BBRMVZONSA-N 0 3 278.396 2.389 20 30 CEEDHN CN(C)c1ccncc1CNCc1ccc(C#N)s1 ZINC000421351043 267293878 /nfs/dbraw/zinc/29/38/78/267293878.db2.gz NIQJCMLZCQGCNS-UHFFFAOYSA-N 0 3 272.377 2.371 20 30 CEEDHN C#CCCCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000370203247 267298126 /nfs/dbraw/zinc/29/81/26/267298126.db2.gz FNRWRNXZXOMFNY-QGZVFWFLSA-N 0 3 299.418 2.316 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)/C=C/c1cccc(C#N)c1 ZINC000493135819 267308551 /nfs/dbraw/zinc/30/85/51/267308551.db2.gz CMWNTQDWGCZGGY-ROJDOSBLSA-N 0 3 283.375 2.124 20 30 CEEDHN CN(C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CC1(C)C ZINC000489445616 267309100 /nfs/dbraw/zinc/30/91/00/267309100.db2.gz MGSOGTAIJMVDNW-DZGCQCFKSA-N 0 3 274.364 2.028 20 30 CEEDHN CN(Cc1ccc(C#N)o1)[C@@H](CO)CC(C)(C)C ZINC000449592818 267315593 /nfs/dbraw/zinc/31/55/93/267315593.db2.gz ZAKPGJNJTIJPGO-LLVKDONJSA-N 0 3 250.342 2.380 20 30 CEEDHN CN1CC[C@H](Nc2cncc(C#N)n2)[C@H]1c1ccccc1 ZINC000420615870 267340954 /nfs/dbraw/zinc/34/09/54/267340954.db2.gz QRZAWQIJMTVTQO-GOEBONIOSA-N 0 3 279.347 2.206 20 30 CEEDHN N#CC1(CNC2CCN(CC(F)(F)F)CC2)CCC1 ZINC000418137748 267372128 /nfs/dbraw/zinc/37/21/28/267372128.db2.gz FFSPXWOGXLGQQM-UHFFFAOYSA-N 0 3 275.318 2.297 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000372015814 267497221 /nfs/dbraw/zinc/49/72/21/267497221.db2.gz NUQADWAOPSUZLA-MAZHCROVSA-N 0 3 288.366 2.189 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CCCN(C2CC2)CC1 ZINC000374189510 267760150 /nfs/dbraw/zinc/76/01/50/267760150.db2.gz RDPXBLHPEMNTAM-ZDUSSCGKSA-N 0 3 265.401 2.221 20 30 CEEDHN C=C(C)CN(C)C[C@@H](O)COCc1cccs1 ZINC000305806498 268001633 /nfs/dbraw/zinc/00/16/33/268001633.db2.gz KCGFTMFZWSTMGZ-GFCCVEGCSA-N 0 3 255.383 2.134 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@@H]([C@H](C)O)C1 ZINC000305871750 268010939 /nfs/dbraw/zinc/01/09/39/268010939.db2.gz OVBITABWPVGQKW-UONOGXRCSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@H]([C@@H](C)O)C1 ZINC000305871749 268011485 /nfs/dbraw/zinc/01/14/85/268011485.db2.gz OVBITABWPVGQKW-KGLIPLIRSA-N 0 3 261.365 2.454 20 30 CEEDHN N#Cc1cccc(CC(=O)NC[C@@H]2CCN2C2CCCC2)c1 ZINC000530027829 268275436 /nfs/dbraw/zinc/27/54/36/268275436.db2.gz ISGFOPQLPBVOSC-KRWDZBQOSA-N 0 3 297.402 2.234 20 30 CEEDHN N#Cc1cccc(OCCN2CC3(CCC3)[C@H]3COC[C@H]32)c1 ZINC000459713244 268285081 /nfs/dbraw/zinc/28/50/81/268285081.db2.gz KSOFCHWXLOXIEI-DLBZAZTESA-N 0 3 298.386 2.438 20 30 CEEDHN N#Cc1nccnc1NC[C@H]1CCN1C1CCCCC1 ZINC000528113798 268326262 /nfs/dbraw/zinc/32/62/62/268326262.db2.gz KHPQCHHHXKJPLF-CYBMUJFWSA-N 0 3 271.368 2.167 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)c1ncc2c(c1C#N)CCC2 ZINC000425234557 271142475 /nfs/dbraw/zinc/14/24/75/271142475.db2.gz XUJCSULPENWOHW-CYBMUJFWSA-N 0 3 284.407 2.220 20 30 CEEDHN CC1(C)CCCN(C(=O)C2CCN(C3CC3)CC2)[C@@H]1C#N ZINC000335929712 276104372 /nfs/dbraw/zinc/10/43/72/276104372.db2.gz AXXTWRQJHGZPFA-OAHLLOKOSA-N 0 3 289.423 2.402 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)[C@H]2C)CC1 ZINC000335129224 276862454 /nfs/dbraw/zinc/86/24/54/276862454.db2.gz GSEDGEVTHVOPGA-CHWSQXEVSA-N 0 3 265.401 2.077 20 30 CEEDHN CC(C)(C)[C@H]1CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000331604720 277256534 /nfs/dbraw/zinc/25/65/34/277256534.db2.gz DNNKAITZDCWPHZ-CJNGLKHVSA-N 0 3 277.412 2.305 20 30 CEEDHN C[C@H](O)CN1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@@H]1C ZINC000246384603 278295317 /nfs/dbraw/zinc/29/53/17/278295317.db2.gz NOMLKWABNXQNLP-KKUMJFAQSA-N 0 3 287.407 2.006 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1C1CCC1 ZINC000102927464 279213779 /nfs/dbraw/zinc/21/37/79/279213779.db2.gz KXPDHRFNVXFASF-DZGCQCFKSA-N 0 3 277.412 2.259 20 30 CEEDHN Cc1ccnc(NC2CCN(C3CC3)CC2)c1C#N ZINC000273342856 281469990 /nfs/dbraw/zinc/46/99/90/281469990.db2.gz OAWNPEHGIGSROW-UHFFFAOYSA-N 0 3 256.353 2.300 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000350088103 288385494 /nfs/dbraw/zinc/38/54/94/288385494.db2.gz UXXFRTTXWPLYML-TTZDDIAXSA-N 0 3 279.428 2.409 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000346375953 289235641 /nfs/dbraw/zinc/23/56/41/289235641.db2.gz CPZAVKRVYKXUEP-GYSYKLTISA-N 0 3 276.311 2.274 20 30 CEEDHN C[C@H](C(=O)N[C@]1(C#N)CC1(C)C)N1[C@H](C)CC[C@@H]1C ZINC000331990876 289378667 /nfs/dbraw/zinc/37/86/67/289378667.db2.gz YWFBWGYOEANVQX-ZAZJYDDPSA-N 0 3 263.385 2.056 20 30 CEEDHN C[C@H](C1CC1)N(C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1)C1CC1 ZINC000329637701 289395615 /nfs/dbraw/zinc/39/56/15/289395615.db2.gz VTAGSQXDDCOMRR-ZYHUDNBSSA-N 0 3 288.395 2.444 20 30 CEEDHN C[C@H](C1CC1)N(C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1)C1CC1 ZINC000329637701 289395616 /nfs/dbraw/zinc/39/56/16/289395616.db2.gz VTAGSQXDDCOMRR-ZYHUDNBSSA-N 0 3 288.395 2.444 20 30 CEEDHN C[C@@H]1C[C@@H](C)N1CCC(=O)Nc1cccc(C#N)c1 ZINC000548426803 298411244 /nfs/dbraw/zinc/41/12/44/298411244.db2.gz KTILVNFOFRBRDX-VXGBXAGGSA-N 0 3 257.337 2.370 20 30 CEEDHN Cc1ccnc(N2CCC[C@@H]3CN(C)CC[C@H]32)c1C#N ZINC000273409232 302271544 /nfs/dbraw/zinc/27/15/44/302271544.db2.gz XJSJIDCRSYQTSE-UKRRQHHQSA-N 0 3 270.380 2.182 20 30 CEEDHN N#C[C@H]1CC[C@H](N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)C1 ZINC000333941739 303168580 /nfs/dbraw/zinc/16/85/80/303168580.db2.gz PGUSZXRMDXDRII-FAYQHZLMSA-N 0 3 283.375 2.288 20 30 CEEDHN Cc1ccccc1CCNCc1cnc2c(C#N)cnn2c1 ZINC000555553826 313649746 /nfs/dbraw/zinc/64/97/46/313649746.db2.gz LKUYUDOTCXJPCG-UHFFFAOYSA-N 0 3 291.358 2.242 20 30 CEEDHN CC1(C)C[C@@H](NCc2ccc(C#N)cn2)C(C)(C)O1 ZINC000576333450 314264705 /nfs/dbraw/zinc/26/47/05/314264705.db2.gz HHTXIDHLXFLFLK-CYBMUJFWSA-N 0 3 259.353 2.389 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC2(C(F)F)CC2)CC1 ZINC000337690195 327957923 /nfs/dbraw/zinc/95/79/23/327957923.db2.gz NPOIUOYNWXLZAA-UHFFFAOYSA-N 0 3 287.354 2.124 20 30 CEEDHN C[C@H]1OCC[C@H]1N(CCO)CCC1(C#N)CCCCC1 ZINC000411664259 328098114 /nfs/dbraw/zinc/09/81/14/328098114.db2.gz QPVXKLNTSHCDOP-HUUCEWRRSA-N 0 3 280.412 2.322 20 30 CEEDHN C=C(C)CN1CCC(Nc2nc(C)c(C)nc2C)CC1 ZINC000413131722 328141056 /nfs/dbraw/zinc/14/10/56/328141056.db2.gz SVXBUDXSIBZMFC-UHFFFAOYSA-N 0 3 274.412 2.276 20 30 CEEDHN C=C(C)CN(C)C[C@@H](O)COCc1cccc(OC)c1 ZINC000181289752 329229888 /nfs/dbraw/zinc/22/98/88/329229888.db2.gz GRTRMCYUWVVAPB-OAHLLOKOSA-N 0 3 279.380 2.081 20 30 CEEDHN CCc1ccc([C@@H](C#N)NC(=O)[C@H](CC)N(C)C)cc1 ZINC000298492014 328296713 /nfs/dbraw/zinc/29/67/13/328296713.db2.gz GCWBBGXCEKTFGJ-CABCVRRESA-N 0 3 273.380 2.270 20 30 CEEDHN CN(C)C1(CNc2cccc(-n3cccn3)c2C#N)CC1 ZINC000583822889 322570974 /nfs/dbraw/zinc/57/09/74/322570974.db2.gz AXZOBRGVDNMUCQ-UHFFFAOYSA-N 0 3 281.363 2.250 20 30 CEEDHN C=CC[C@H](CO)CNCc1cnn(Cc2ccccc2)c1 ZINC000341260388 328405453 /nfs/dbraw/zinc/40/54/53/328405453.db2.gz NBEVMLZTSYKPHA-INIZCTEOSA-N 0 3 285.391 2.206 20 30 CEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(C#N)CC(C)C1 ZINC000532065549 328443035 /nfs/dbraw/zinc/44/30/35/328443035.db2.gz CWZCVHYPTYJUJJ-RXKGYNAASA-N 0 3 291.439 2.409 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)NCC1(C#N)CC1 ZINC000557758157 327025375 /nfs/dbraw/zinc/02/53/75/327025375.db2.gz BGCMGUZCNMJHNK-UHFFFAOYSA-N 0 3 292.427 2.198 20 30 CEEDHN C=C1CCN(C[C@H](O)COc2ccc(C)cc2)CC1 ZINC000518677393 327192421 /nfs/dbraw/zinc/19/24/21/327192421.db2.gz LRFUAPLILSGDGL-HNNXBMFYSA-N 0 3 261.365 2.387 20 30 CEEDHN C=C(C)COCCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000151537991 327211557 /nfs/dbraw/zinc/21/15/57/327211557.db2.gz UVZLRAQJEUINRD-UHFFFAOYSA-N 0 3 297.443 2.095 20 30 CEEDHN C=CCN1CCC(NC(=O)c2nc(C3CC3)oc2C)CC1 ZINC000560473675 327312157 /nfs/dbraw/zinc/31/21/57/327312157.db2.gz PBLAQRGOKSRHPK-UHFFFAOYSA-N 0 3 289.379 2.241 20 30 CEEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1cc(C)nn1CCC#N ZINC000574436129 327332437 /nfs/dbraw/zinc/33/24/37/327332437.db2.gz ZJPRHHHEMNTQIC-GFCCVEGCSA-N 0 3 291.399 2.210 20 30 CEEDHN C=CCCn1cc(C(=O)Nc2ccccc2CN(C)C)nn1 ZINC000569836918 327550786 /nfs/dbraw/zinc/55/07/86/327550786.db2.gz CRULCAGZRZEEAD-UHFFFAOYSA-N 0 3 299.378 2.168 20 30 CEEDHN C#Cc1ccc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)cc1 ZINC000377693702 329025171 /nfs/dbraw/zinc/02/51/71/329025171.db2.gz HNAQAVFUZNFPSO-KRWDZBQOSA-N 0 3 295.386 2.337 20 30 CEEDHN N#CCc1cccc(C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000171440309 329075945 /nfs/dbraw/zinc/07/59/45/329075945.db2.gz OGMFKDBRSQXWLP-MRXNPFEDSA-N 0 3 283.375 2.063 20 30 CEEDHN Cn1cc(C(=O)C(C#N)c2nc3ccccc3o2)ccc1=O ZINC000171567617 329077406 /nfs/dbraw/zinc/07/74/06/329077406.db2.gz NWXWOPOLSVBWLI-LLVKDONJSA-N 0 3 293.282 2.017 20 30 CEEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H](C)COC ZINC000582514304 329099422 /nfs/dbraw/zinc/09/94/22/329099422.db2.gz LCWYIUVUMSIBBD-ZDUSSCGKSA-N 0 3 267.369 2.433 20 30 CEEDHN CCN(C[C@H]1CCCN1CC)C(=O)[C@](C)(C#N)CC ZINC000582625009 329119221 /nfs/dbraw/zinc/11/92/21/329119221.db2.gz CKSKPMFEUKHLAU-HIFRSBDPSA-N 0 3 265.401 2.259 20 30 CEEDHN C#CCCCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000174077051 329154121 /nfs/dbraw/zinc/15/41/21/329154121.db2.gz UCBHKQLFXBQGSF-UHFFFAOYSA-N 0 3 299.418 2.317 20 30 CEEDHN N#CCCCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000178080638 329192442 /nfs/dbraw/zinc/19/24/42/329192442.db2.gz WWCMHWCXLXARKQ-UHFFFAOYSA-N 0 3 292.427 2.340 20 30 CEEDHN C[C@@H]1Cc2ccccc2CN1CCC(=O)N(C)CCC#N ZINC000179354875 329204755 /nfs/dbraw/zinc/20/47/55/329204755.db2.gz HXMLBZVFGOJCEK-CQSZACIVSA-N 0 3 285.391 2.195 20 30 CEEDHN C=C(C)CN(C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000180493276 329219761 /nfs/dbraw/zinc/21/97/61/329219761.db2.gz RXYXOVVPEVLIAI-UHFFFAOYSA-N 0 3 275.396 2.466 20 30 CEEDHN C=C(C)CN(C)C[C@H](O)COc1ccccc1F ZINC000181247252 329227684 /nfs/dbraw/zinc/22/76/84/329227684.db2.gz ICUFFZGAINZOJE-LBPRGKRZSA-N 0 3 253.317 2.073 20 30 CEEDHN C[C@H](CN1CCN(C(=O)CC#N)CC1)C1CCCCC1 ZINC000582853869 329280569 /nfs/dbraw/zinc/28/05/69/329280569.db2.gz NBDVRBMLLDKVPR-CQSZACIVSA-N 0 3 277.412 2.261 20 30 CEEDHN C=CCC[C@H](CO)NCc1csc([N+](=O)[O-])c1 ZINC000321448589 329356908 /nfs/dbraw/zinc/35/69/08/329356908.db2.gz NPXWESHBWKOJES-SNVBAGLBSA-N 0 3 256.327 2.073 20 30 CEEDHN CC#CCCNCc1ccc(OC)c(OC)c1OC ZINC000158313372 329711438 /nfs/dbraw/zinc/71/14/38/329711438.db2.gz LCSYTKUTLADSNX-UHFFFAOYSA-N 0 3 263.337 2.215 20 30 CEEDHN C=CCC(C)(C)CN[C@@H](Cc1ccccc1)C(N)=O ZINC000419193154 329713206 /nfs/dbraw/zinc/71/32/06/329713206.db2.gz YYEMLJQYRLMEKR-AWEZNQCLSA-N 0 3 260.381 2.275 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(CCc2cccs2)CC1 ZINC000268518304 330066102 /nfs/dbraw/zinc/06/61/02/330066102.db2.gz FFDUYJLPHUKRPI-HNNXBMFYSA-N 0 3 294.464 2.235 20 30 CEEDHN C#CCN(CC)Cc1ccc(Cl)cc1-n1cncn1 ZINC000279558495 330123735 /nfs/dbraw/zinc/12/37/35/330123735.db2.gz FBSNJIWUKRPQQU-UHFFFAOYSA-N 0 3 274.755 2.376 20 30 CEEDHN CCCN(CC(=O)N[C@](C)(C#N)C(C)C)C(C)C ZINC000580722516 330139700 /nfs/dbraw/zinc/13/97/00/330139700.db2.gz AAKOVBLGCSRXJV-CQSZACIVSA-N 0 3 253.390 2.161 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000424091017 330225400 /nfs/dbraw/zinc/22/54/00/330225400.db2.gz NAHNIKVPGAZUKG-CYBMUJFWSA-N 0 3 284.319 2.301 20 30 CEEDHN CCN(Cc1ccccc1C)C(=O)[C@H](N)CCCC#N ZINC000424091606 330225412 /nfs/dbraw/zinc/22/54/12/330225412.db2.gz OKASGBOPHKDMIJ-OAHLLOKOSA-N 0 3 273.380 2.365 20 30 CEEDHN CCOc1ccc(NC(=O)[C@H](N)CCCC#N)c(C)c1 ZINC000424093005 330226361 /nfs/dbraw/zinc/22/63/61/330226361.db2.gz QGCUJMKQBUZANN-CYBMUJFWSA-N 0 3 275.352 2.353 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCCCc2ccccc21 ZINC000424098842 330230568 /nfs/dbraw/zinc/23/05/68/330230568.db2.gz UJJRZJLUGGQSLW-AWEZNQCLSA-N 0 3 271.364 2.377 20 30 CEEDHN Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H](N)CCCC#N ZINC000424107251 330234585 /nfs/dbraw/zinc/23/45/85/330234585.db2.gz YZYRMIUOQIOKJL-CABCVRRESA-N 0 3 271.364 2.120 20 30 CEEDHN CC[C@H](Cc1ccccc1)NC(=O)[C@H](N)CCCC#N ZINC000424109896 330237491 /nfs/dbraw/zinc/23/74/91/330237491.db2.gz BIYMVEVWHYTOEZ-HUUCEWRRSA-N 0 3 273.380 2.145 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCCCCC1CCCC1 ZINC000424118762 330244373 /nfs/dbraw/zinc/24/43/73/330244373.db2.gz DUOLRLBDMURHEY-AWEZNQCLSA-N 0 3 265.401 2.484 20 30 CEEDHN CC[C@]1(C)CCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424123250 330255266 /nfs/dbraw/zinc/25/52/66/330255266.db2.gz KRHFPWHHQRUTFR-GXTWGEPZSA-N 0 3 251.374 2.046 20 30 CEEDHN C=CCCCCCN(C)C(=O)[C@H](N)CCCC#N ZINC000424123799 330256257 /nfs/dbraw/zinc/25/62/57/330256257.db2.gz LKCHTALIOUDEJU-CYBMUJFWSA-N 0 3 251.374 2.212 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCc2c1cccc2Cl ZINC000424124799 330257384 /nfs/dbraw/zinc/25/73/84/330257384.db2.gz MSXDXFHJFJMJLP-LBPRGKRZSA-N 0 3 277.755 2.250 20 30 CEEDHN CCOCc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424129239 330260212 /nfs/dbraw/zinc/26/02/12/330260212.db2.gz XPQMGWCCVWPTMR-AWEZNQCLSA-N 0 3 275.352 2.183 20 30 CEEDHN CC(C)C1CCC(NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424133055 330265430 /nfs/dbraw/zinc/26/54/30/330265430.db2.gz YPLCMBKBSWKLIZ-RUXDESIVSA-N 0 3 265.401 2.339 20 30 CEEDHN Cc1ccc(F)c(CN(C)C(=O)[C@H](N)CCCC#N)c1 ZINC000424165506 330309278 /nfs/dbraw/zinc/30/92/78/330309278.db2.gz DUFUVOKBEVDQRJ-CQSZACIVSA-N 0 3 277.343 2.114 20 30 CEEDHN N#CCCCNCc1ccc2c(c1)OC(F)(F)O2 ZINC000424169405 330311920 /nfs/dbraw/zinc/31/19/20/330311920.db2.gz JLIDVIZXMDKMPT-UHFFFAOYSA-N 0 3 254.236 2.401 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc2c(cc1OC)OCO2 ZINC000424169443 330311923 /nfs/dbraw/zinc/31/19/23/330311923.db2.gz HRNAORYQLCRFHN-AAEUAGOBSA-N 0 3 291.347 2.105 20 30 CEEDHN Cc1c(NC(=O)[C@@H](N)CCCC#N)cccc1N(C)C ZINC000424178117 330318137 /nfs/dbraw/zinc/31/81/37/330318137.db2.gz VXMREYDVBVIBDY-LBPRGKRZSA-N 0 3 274.368 2.021 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCc2cc(Cl)ccc2C1 ZINC000424181316 330319367 /nfs/dbraw/zinc/31/93/67/330319367.db2.gz QSSJIMPHYFMXEI-CQSZACIVSA-N 0 3 291.782 2.246 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000424181667 330319816 /nfs/dbraw/zinc/31/98/16/330319816.db2.gz RRRYABTXGGVECC-GFCCVEGCSA-N 0 3 283.335 2.036 20 30 CEEDHN Cc1cc(CN(C)C(=O)[C@H](N)CCCC#N)ccc1F ZINC000424191370 330323618 /nfs/dbraw/zinc/32/36/18/330323618.db2.gz QTZNQGARQWRBMI-CQSZACIVSA-N 0 3 277.343 2.114 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cnc(CC)s2)CC1 ZINC000106034001 330331303 /nfs/dbraw/zinc/33/13/03/330331303.db2.gz GNYLIDSNDZBFFE-UHFFFAOYSA-N 0 3 293.436 2.476 20 30 CEEDHN N#C[C@H]1CC[C@H](NCCNC(=O)CCCc2ccccc2)C1 ZINC000424320487 330340018 /nfs/dbraw/zinc/34/00/18/330340018.db2.gz HSXOHYXWIGBTJU-IRXDYDNUSA-N 0 3 299.418 2.407 20 30 CEEDHN C=CCC1(C(=O)NCCN2CCCC[C@@H]2C)CCOCC1 ZINC000424587468 330391255 /nfs/dbraw/zinc/39/12/55/330391255.db2.gz HBKKCPFTMBFIIK-HNNXBMFYSA-N 0 3 294.439 2.350 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N[C@H](C)CN1CCCCC1 ZINC000437617259 330705176 /nfs/dbraw/zinc/70/51/76/330705176.db2.gz VQPYXYWYIWBHNZ-GDBMZVCRSA-N 0 3 282.428 2.206 20 30 CEEDHN CCN(Cc1ccccc1)C(=O)CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442793824 330784076 /nfs/dbraw/zinc/78/40/76/330784076.db2.gz SDNZNKITWIHEEG-HZPDHXFCSA-N 0 3 285.391 2.317 20 30 CEEDHN COc1cc(OC)cc(OCCN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442853054 330787145 /nfs/dbraw/zinc/78/71/45/330787145.db2.gz TVSZCABWUCZOBW-OLZOCXBDSA-N 0 3 290.363 2.364 20 30 CEEDHN C=C(CC)C[NH+]1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000444813698 330826631 /nfs/dbraw/zinc/82/66/31/330826631.db2.gz QSNUNEKMOTXZOP-UHFFFAOYSA-N 0 3 292.383 2.127 20 30 CEEDHN COC(=O)[C@@H]1CCCCC[C@@H]1NC[C@@H](C#N)CCC#N ZINC000451233869 331021353 /nfs/dbraw/zinc/02/13/53/331021353.db2.gz JONHUJZHCJLFRY-MCIONIFRSA-N 0 3 277.368 2.141 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](O)CC(C)(C)C1 ZINC000451806160 331043101 /nfs/dbraw/zinc/04/31/01/331043101.db2.gz WMTCPKFCSFYQRT-CABCVRRESA-N 0 3 296.455 2.282 20 30 CEEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000453350915 331120622 /nfs/dbraw/zinc/12/06/22/331120622.db2.gz JZRSQLFJDOAOBF-TVZGQMOCSA-N 0 3 281.421 2.402 20 30 CEEDHN C=CCC[C@@H](N[C@H](C)CC(=O)NC)c1ccco1 ZINC000453354559 331121325 /nfs/dbraw/zinc/12/13/25/331121325.db2.gz HPWQQELIAZFCBS-VXGBXAGGSA-N 0 3 250.342 2.401 20 30 CEEDHN C=CC(C)(C)CNC(=O)NC1CCN(C2CC2)CC1 ZINC000454213920 331141932 /nfs/dbraw/zinc/14/19/32/331141932.db2.gz OKRXBMSHPUXSNR-UHFFFAOYSA-N 0 3 265.401 2.125 20 30 CEEDHN CN(C)C1(CN(C)C(=O)N[C@H]2CC[C@@H](CC#N)C2)CCC1 ZINC000455274831 331163819 /nfs/dbraw/zinc/16/38/19/331163819.db2.gz PLJROLSKYIQRQP-KBPBESRZSA-N 0 3 292.427 2.194 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000456112974 331184400 /nfs/dbraw/zinc/18/44/00/331184400.db2.gz VWMDVEIZHWUAQO-MELADBBJSA-N 0 3 278.302 2.277 20 30 CEEDHN CC[C@H](NC(=O)C(C#N)CCc1ccccc1)[C@H](C)O ZINC000456275300 331188709 /nfs/dbraw/zinc/18/87/09/331188709.db2.gz XIMIAVYRQHRYOE-CFVMTHIKSA-N 0 3 274.364 2.035 20 30 CEEDHN CC1(C)CCCN1CCNC(=O)c1ccc(CC#N)cc1 ZINC000457064455 331211299 /nfs/dbraw/zinc/21/12/99/331211299.db2.gz WRLKQPHYMLNZDC-UHFFFAOYSA-N 0 3 285.391 2.357 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000457335379 331219390 /nfs/dbraw/zinc/21/93/90/331219390.db2.gz ZIBHAGGBKWSIMP-XHSDSOJGSA-N 0 3 286.375 2.036 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000457576693 331227542 /nfs/dbraw/zinc/22/75/42/331227542.db2.gz VPOKNPTXAGXGHC-BZUAXINKSA-N 0 3 294.439 2.158 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CCCN1CC ZINC000457621770 331229259 /nfs/dbraw/zinc/22/92/59/331229259.db2.gz VFGTYQGXDFKJMP-BZUAXINKSA-N 0 3 294.439 2.300 20 30 CEEDHN CC#CCN(C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000458040697 331241493 /nfs/dbraw/zinc/24/14/93/331241493.db2.gz BXZDUBNNKYUUII-MRXNPFEDSA-N 0 3 287.407 2.262 20 30 CEEDHN Cc1cc(NC(=O)[C@H](C)C#N)ccc1OCCN(C)C ZINC000458190395 331244725 /nfs/dbraw/zinc/24/47/25/331244725.db2.gz FBVJWRXUJSQLMW-GFCCVEGCSA-N 0 3 275.352 2.034 20 30 CEEDHN C=CCOCC(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458282259 331247224 /nfs/dbraw/zinc/24/72/24/331247224.db2.gz LVSKHAGXQLZTAP-UHFFFAOYSA-N 0 3 262.353 2.198 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)NC(C)(C)CN(C)C ZINC000458620023 331254469 /nfs/dbraw/zinc/25/44/69/331254469.db2.gz NEQONXAMKPDBHG-GFCCVEGCSA-N 0 3 255.406 2.371 20 30 CEEDHN C=CCCCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458715292 331257571 /nfs/dbraw/zinc/25/75/71/331257571.db2.gz CIOIYEDGJJJDQO-CYBMUJFWSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000458985978 331264139 /nfs/dbraw/zinc/26/41/39/331264139.db2.gz JRMQLNZFUPQGAJ-CHWSQXEVSA-N 0 3 267.417 2.323 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000458994737 331265137 /nfs/dbraw/zinc/26/51/37/331265137.db2.gz ZNTQKOSRCBGLBV-ZDUSSCGKSA-N 0 3 267.417 2.182 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)NC[C@H](C)N(C)C ZINC000459045693 331268265 /nfs/dbraw/zinc/26/82/65/331268265.db2.gz UBEGZMWFOVNRML-AWEZNQCLSA-N 0 3 275.396 2.334 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)NCC(C)(C)CC#N)C1 ZINC000459229758 331272237 /nfs/dbraw/zinc/27/22/37/331272237.db2.gz FFPXNOXOTXOESV-ZDUSSCGKSA-N 0 3 280.416 2.050 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCC2(C)CC2)CC1 ZINC000471841188 331522359 /nfs/dbraw/zinc/52/23/59/331522359.db2.gz WVVXOLAHAOWSLO-UHFFFAOYSA-N 0 3 265.401 2.126 20 30 CEEDHN CN1CCC(CC(=O)NCC(C)(C)CCC#N)CC1 ZINC000489847586 332070210 /nfs/dbraw/zinc/07/02/10/332070210.db2.gz PEZYERXOBAABTM-UHFFFAOYSA-N 0 3 265.401 2.164 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2c3ccccc3C[C@H]2C)CC1 ZINC000490635199 332098234 /nfs/dbraw/zinc/09/82/34/332098234.db2.gz FARQFDQWSQJNRO-RDTXWAMCSA-N 0 3 296.414 2.381 20 30 CEEDHN C#CCN1CCC(C(=O)NCC(CC)(CC)SC)CC1 ZINC000490690505 332104789 /nfs/dbraw/zinc/10/47/89/332104789.db2.gz SDKDKZZFVBXOFB-UHFFFAOYSA-N 0 3 296.480 2.370 20 30 CEEDHN C#CCN(C)CCCNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000491067477 332144607 /nfs/dbraw/zinc/14/46/07/332144607.db2.gz IGCKZNGLMTZSBO-UHFFFAOYSA-N 0 3 295.314 2.110 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)[C@H](C)N1CCCCCC1 ZINC000491255873 332175766 /nfs/dbraw/zinc/17/57/66/332175766.db2.gz YMMAQLIEOVPOPI-KBPBESRZSA-N 0 3 250.386 2.169 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](CC)Cc1ccccc1 ZINC000491308087 332187250 /nfs/dbraw/zinc/18/72/50/332187250.db2.gz SLPOYAIRXUSMSK-QGZVFWFLSA-N 0 3 286.419 2.327 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000491326547 332190606 /nfs/dbraw/zinc/19/06/06/332190606.db2.gz NYXUAKLTDYYRCR-BPUTZDHNSA-N 0 3 285.391 2.095 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)c1ccc(CN(C)C)cc1 ZINC000491359618 332196265 /nfs/dbraw/zinc/19/62/65/332196265.db2.gz AFUDBLXUHZCQDU-HNNXBMFYSA-N 0 3 258.365 2.280 20 30 CEEDHN C#C[C@@H](CC)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000491439679 332211544 /nfs/dbraw/zinc/21/15/44/332211544.db2.gz KXQOVZFORWTJJS-DZGCQCFKSA-N 0 3 262.397 2.312 20 30 CEEDHN C#C[C@H](C)N(C)Cc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000491486961 332221305 /nfs/dbraw/zinc/22/13/05/332221305.db2.gz ZMDVANFBDGLRQN-AWEZNQCLSA-N 0 3 289.375 2.309 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](CC)OC1CCCCC1 ZINC000491516828 332228030 /nfs/dbraw/zinc/22/80/30/332228030.db2.gz VQAAXJYHLVWLBE-INIZCTEOSA-N 0 3 294.439 2.186 20 30 CEEDHN C#C[C@@H](NCc1cnc2nc(C)cc(C)n12)C(C)(C)C ZINC000491623389 332247809 /nfs/dbraw/zinc/24/78/09/332247809.db2.gz FXLVQRPEVYRZHG-CQSZACIVSA-N 0 3 270.380 2.484 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1sccc1C ZINC000491642355 332261446 /nfs/dbraw/zinc/26/14/46/332261446.db2.gz WUCIPOFYRNJADM-UHFFFAOYSA-N 0 3 293.436 2.153 20 30 CEEDHN C#C[C@H](C)N(C)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000491660092 332270565 /nfs/dbraw/zinc/27/05/65/332270565.db2.gz NFKFTLACJZNAFA-YXJHDRRASA-N 0 3 287.403 2.395 20 30 CEEDHN C#CCN(C[C@H]1CCCNC1=O)[C@@H]1CCc2ccccc21 ZINC000491745046 332323017 /nfs/dbraw/zinc/32/30/17/332323017.db2.gz TUNZRFJGFYCTBI-NVXWUHKLSA-N 0 3 282.387 2.135 20 30 CEEDHN C#C[C@H](CC)NCc1cn(-c2ccncc2)nc1C ZINC000491769062 332336367 /nfs/dbraw/zinc/33/63/67/332336367.db2.gz LJYGGVGDJXOTDP-CQSZACIVSA-N 0 3 254.337 2.077 20 30 CEEDHN C#C[C@H](CCC)NC(=O)c1ccccc1OCCN(C)C ZINC000491780564 332344900 /nfs/dbraw/zinc/34/49/00/332344900.db2.gz IYLBOBMNUTXJQD-CQSZACIVSA-N 0 3 288.391 2.159 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000491784188 332347580 /nfs/dbraw/zinc/34/75/80/332347580.db2.gz SEMMJMISHMRIIW-CABCVRRESA-N 0 3 287.407 2.170 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000491785353 332348204 /nfs/dbraw/zinc/34/82/04/332348204.db2.gz UPZCVOBJHOHZLC-NWDGAFQWSA-N 0 3 290.329 2.036 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1CCC(C)(C)CC1 ZINC000491802645 332356612 /nfs/dbraw/zinc/35/66/12/332356612.db2.gz GVDFTNLGHIRWDB-UHFFFAOYSA-N 0 3 264.413 2.274 20 30 CEEDHN C#CCNC(=O)C1CCN(Cc2cc(F)ccc2C)CC1 ZINC000491808551 332361378 /nfs/dbraw/zinc/36/13/78/332361378.db2.gz WHBRDYZMBXMIDS-UHFFFAOYSA-N 0 3 288.366 2.096 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCSC[C@@H](C)C2)CC1 ZINC000192331419 335104515 /nfs/dbraw/zinc/10/45/15/335104515.db2.gz FWPHHAIROYLVKL-ZDUSSCGKSA-N 0 3 297.468 2.031 20 30 CEEDHN C[C@H](C(=O)N1CCCCC1)N1CCC(CC#N)CC1 ZINC000336356152 335105206 /nfs/dbraw/zinc/10/52/06/335105206.db2.gz MLKWJBDNMNFUCP-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN C=CCCCCCNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000566480489 334651734 /nfs/dbraw/zinc/65/17/34/334651734.db2.gz TYPVHYMTGSQNLL-STQMWFEESA-N 0 3 253.390 2.125 20 30 CEEDHN C#C[C@H](NCc1cc(OC)c(O)c(OC)c1)C(C)C ZINC000311268410 333066430 /nfs/dbraw/zinc/06/64/30/333066430.db2.gz MCEGWDJGKJAUFK-LBPRGKRZSA-N 0 3 263.337 2.157 20 30 CEEDHN C=CCN1CCC(NC(=O)c2nc(C)sc2C)CC1 ZINC000178541252 333074996 /nfs/dbraw/zinc/07/49/96/333074996.db2.gz CILXEWCQOXQSJK-UHFFFAOYSA-N 0 3 279.409 2.140 20 30 CEEDHN C[C@@H](C#N)CNC[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195223209 333248277 /nfs/dbraw/zinc/24/82/77/333248277.db2.gz DFWRPRDBPPJOQA-WFASDCNBSA-N 0 3 281.400 2.383 20 30 CEEDHN C#C[C@H](CC)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000229875441 333310486 /nfs/dbraw/zinc/31/04/86/333310486.db2.gz VBMSINIMUMEPBK-OLZOCXBDSA-N 0 3 266.385 2.387 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000549528876 334196297 /nfs/dbraw/zinc/19/62/97/334196297.db2.gz YVDQIYMYSXOUCD-TUVASFSCSA-N 0 3 273.380 2.367 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@](CC)(CO)C1 ZINC000249581449 334337215 /nfs/dbraw/zinc/33/72/15/334337215.db2.gz RGSVIRXMXWTAAC-WBVHZDCISA-N 0 3 296.455 2.284 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000253358826 334430445 /nfs/dbraw/zinc/43/04/45/334430445.db2.gz VZADYNDPZCVAMB-IJEWVQPXSA-N 0 3 276.424 2.273 20 30 CEEDHN C[C@@H](CCC#N)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000566301365 334641389 /nfs/dbraw/zinc/64/13/89/334641389.db2.gz XQIYNGYNQJUGFK-UONOGXRCSA-N 0 3 266.385 2.196 20 30 CEEDHN C=CCCCCCNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000568245254 334807925 /nfs/dbraw/zinc/80/79/25/334807925.db2.gz HDRXRCUTZDGGEW-STQMWFEESA-N 0 3 253.390 2.125 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000569308722 334866260 /nfs/dbraw/zinc/86/62/60/334866260.db2.gz ZZWVWAZROBOLPB-YJNKXOJESA-N 0 3 280.412 2.005 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000346258464 335361512 /nfs/dbraw/zinc/36/15/12/335361512.db2.gz IMEQUYLBMCGNLO-HIFRSBDPSA-N 0 3 272.348 2.211 20 30 CEEDHN C=C[C@H](CC(=O)N[C@H]1CNCCC1(F)F)c1ccccc1 ZINC000578895701 335686918 /nfs/dbraw/zinc/68/69/18/335686918.db2.gz WTXAPRKQOIVYCN-OCCSQVGLSA-N 0 3 294.345 2.460 20 30 CEEDHN CCN(CCC#N)C(=O)CN(CC(C)C)C(C)C ZINC000194173699 336007617 /nfs/dbraw/zinc/00/76/17/336007617.db2.gz YIEGSGMOURPBDU-UHFFFAOYSA-N 0 3 253.390 2.115 20 30 CEEDHN C=CCN(CC=C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194360965 336018402 /nfs/dbraw/zinc/01/84/02/336018402.db2.gz NTMMUIULGCZKMV-ZDUSSCGKSA-N 0 3 292.335 2.009 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(OC)c(OC(F)F)c1 ZINC000184275111 519105710 /nfs/dbraw/zinc/10/57/10/519105710.db2.gz SVVOHRZRULGVPX-NSHDSACASA-N 0 3 287.306 2.323 20 30 CEEDHN CS[C@@H]1CCCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346450865 533942324 /nfs/dbraw/zinc/94/23/24/533942324.db2.gz XKOQIYSGRTVVNY-QWHCGFSZSA-N 0 3 295.452 2.155 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC000347052624 534282717 /nfs/dbraw/zinc/28/27/17/534282717.db2.gz QNJDNPFTRLJRRB-ZWNOBZJWSA-N 0 3 279.771 2.219 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000347073453 534283315 /nfs/dbraw/zinc/28/33/15/534283315.db2.gz QCSITQDHMQFFRL-MNOVXSKESA-N 0 3 274.320 2.012 20 30 CEEDHN CN(C)C(=O)C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442799241 517897897 /nfs/dbraw/zinc/89/78/97/517897897.db2.gz ZSLRSLSGQKZIDP-BMFZPTHFSA-N 0 3 285.391 2.488 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@H]1c1cccc(C)c1 ZINC000055911018 518888679 /nfs/dbraw/zinc/88/86/79/518888679.db2.gz OSFZWFMBRWIKEH-HNNXBMFYSA-N 0 3 258.365 2.434 20 30 CEEDHN C=CC[C@H](CO)NCc1cnc(C(C)(C)C)s1 ZINC000184282546 519118984 /nfs/dbraw/zinc/11/89/84/519118984.db2.gz DYMTUAIGAJHTMR-SNVBAGLBSA-N 0 3 254.399 2.467 20 30 CEEDHN [O-]C(N[C@H]1CCn2ccnc2C1)=[NH+]CC1(C2CC2)CCC1 ZINC000330196010 534751041 /nfs/dbraw/zinc/75/10/41/534751041.db2.gz POBOXDDJRIVXED-ZDUSSCGKSA-N 0 3 288.395 2.282 20 30 CEEDHN C=CCNC(=O)CN1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000347577249 526540742 /nfs/dbraw/zinc/54/07/42/526540742.db2.gz HDDJQNHQLAWGCT-OLZOCXBDSA-N 0 3 252.402 2.435 20 30 CEEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCOC1 ZINC000352791114 526558178 /nfs/dbraw/zinc/55/81/78/526558178.db2.gz HAXAVZXBFQTALA-ZDUSSCGKSA-N 0 3 265.353 2.187 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@]2(C)CCCOC2)CC1 ZINC000329159301 526576890 /nfs/dbraw/zinc/57/68/90/526576890.db2.gz XOCWCIRZLWQFCW-INIZCTEOSA-N 0 3 295.427 2.100 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H]1C[C@H](OCC)C12CCCC2 ZINC000347703022 526636891 /nfs/dbraw/zinc/63/68/91/526636891.db2.gz GQWQOAAQVQSWPZ-IHRRRGAJSA-N 0 3 280.412 2.005 20 30 CEEDHN C=CCOCCCC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344720656 526732589 /nfs/dbraw/zinc/73/25/89/526732589.db2.gz ZRJFGDYJWZODKG-OAHLLOKOSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCOCCCN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352672617 526757760 /nfs/dbraw/zinc/75/77/60/526757760.db2.gz VFNXCFKAZVRAIQ-NWDGAFQWSA-N 0 3 281.318 2.072 20 30 CEEDHN C=CCn1c(C2CC2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000350752131 527305266 /nfs/dbraw/zinc/30/52/66/527305266.db2.gz LECYZPIOEXLIFV-AWEZNQCLSA-N 0 3 287.411 2.014 20 30 CEEDHN C=CCC[C@H](NCCN1CCC(O)CC1)c1ccco1 ZINC000295991019 527483857 /nfs/dbraw/zinc/48/38/57/527483857.db2.gz PPEKDCIKHJJKGF-HNNXBMFYSA-N 0 3 278.396 2.333 20 30 CEEDHN CCN(CC#Cc1ccccc1Cl)C[C@@H](C)O ZINC000352202396 527878850 /nfs/dbraw/zinc/87/88/50/527878850.db2.gz JPZNODHDGIDRPK-GFCCVEGCSA-N 0 3 251.757 2.394 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1ocnc1C ZINC000329212702 528233878 /nfs/dbraw/zinc/23/38/78/528233878.db2.gz IEEPTTNBOKLTEK-NSHDSACASA-N 0 3 251.330 2.162 20 30 CEEDHN CCN(CCC#N)C(=O)CN(CC)[C@@H]1CCOC(C)(C)C1 ZINC000351918450 528355080 /nfs/dbraw/zinc/35/50/80/528355080.db2.gz IBQFIJKQTITECF-CQSZACIVSA-N 0 3 295.427 2.028 20 30 CEEDHN CC(C)[C@@H](NC(=O)C(C)C#N)c1nc(-c2ccncc2)no1 ZINC000347146161 528564095 /nfs/dbraw/zinc/56/40/95/528564095.db2.gz ZXGGSJKTAXKWJB-CMPLNLGQSA-N 0 3 299.334 2.105 20 30 CEEDHN CCOc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347038437 528593664 /nfs/dbraw/zinc/59/36/64/528593664.db2.gz PAXDPLLTRGWZCN-WDEREUQCSA-N 0 3 276.336 2.431 20 30 CEEDHN CC1(C)CCCN(CCNc2cccnc2C#N)C1 ZINC000357682780 528937558 /nfs/dbraw/zinc/93/75/58/528937558.db2.gz RWNHJKVLDZPZJW-UHFFFAOYSA-N 0 3 258.369 2.487 20 30 CEEDHN CCC1(CC)CCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000347500219 529057743 /nfs/dbraw/zinc/05/77/43/529057743.db2.gz HJBIPXBLXUVHJM-UHFFFAOYSA-N 0 3 290.411 2.154 20 30 CEEDHN CC[C@H](CC#N)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000332365680 529298847 /nfs/dbraw/zinc/29/88/47/529298847.db2.gz KNATWNPOOCUCAM-OCCSQVGLSA-N 0 3 263.385 2.202 20 30 CEEDHN C#Cc1cccc(NC(=S)N[C@H]2CCN(C3CC3)C2)c1 ZINC000726480846 574426887 /nfs/dbraw/zinc/42/68/87/574426887.db2.gz MMDQQOBCEAFQEH-AWEZNQCLSA-N 0 3 285.416 2.191 20 30 CEEDHN C[C@H](C#N)Oc1ccc(CN(C)CCn2cccn2)cc1 ZINC000125270104 649883561 /nfs/dbraw/zinc/88/35/61/649883561.db2.gz OYNKFNQEOJTCOJ-CQSZACIVSA-N 0 3 284.363 2.306 20 30 CEEDHN C=CCOCCNCc1cc(Cl)c2c(c1)OCCO2 ZINC000311942487 574431760 /nfs/dbraw/zinc/43/17/60/574431760.db2.gz KRDGIDHALMIJMR-UHFFFAOYSA-N 0 3 283.755 2.403 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCSC(C)(C)C)CC1 ZINC000730127256 574502158 /nfs/dbraw/zinc/50/21/58/574502158.db2.gz MTKQKMATVMGEJU-UHFFFAOYSA-N 0 3 299.484 2.468 20 30 CEEDHN CC(C)N1CC(N=Nc2cncc(Cl)n2)[C@@H](C)C1 ZINC000754256867 574577361 /nfs/dbraw/zinc/57/73/61/574577361.db2.gz GBRAXWZFGUFSBR-VIFPVBQESA-N 0 3 267.764 2.258 20 30 CEEDHN CC(C)N(CCN1CCOC1=O)Cc1ccc(C#N)cc1 ZINC000731104216 574589465 /nfs/dbraw/zinc/58/94/65/574589465.db2.gz WCHYACCAFOWDHK-UHFFFAOYSA-N 0 3 287.363 2.221 20 30 CEEDHN CC(C#N)C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000736675266 574794206 /nfs/dbraw/zinc/79/42/06/574794206.db2.gz YJCBPERFUNLTSR-IAQYHMDHSA-N 0 3 290.338 2.257 20 30 CEEDHN C#CCNC(=O)CN1CCC[C@H]1c1cccc(C)c1C ZINC000741794586 574999025 /nfs/dbraw/zinc/99/90/25/574999025.db2.gz TXOKACZZGVJXKJ-INIZCTEOSA-N 0 3 270.376 2.190 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccco1 ZINC000744023113 575112325 /nfs/dbraw/zinc/11/23/25/575112325.db2.gz VBAHSYWLYFFKFG-NEPJUHHUSA-N 0 3 276.336 2.398 20 30 CEEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1Cc2ccccc21 ZINC000744027310 575112514 /nfs/dbraw/zinc/11/25/14/575112514.db2.gz PNEABEUTTPHPEZ-JKSUJKDBSA-N 0 3 296.370 2.484 20 30 CEEDHN CC[C@H](OC)C(=O)C(C#N)c1nc2ccccc2n1C ZINC000744929221 575129248 /nfs/dbraw/zinc/12/92/48/575129248.db2.gz BIRKUNVWQQKKEW-GWCFXTLKSA-N 0 3 271.320 2.175 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(CCCCO)CC1 ZINC000746488772 575157250 /nfs/dbraw/zinc/15/72/50/575157250.db2.gz ZNAHUFZDBRNRQK-OAHLLOKOSA-N 0 3 287.407 2.009 20 30 CEEDHN CCN1CCC(=Nn2cc(Br)cn2)[C@@H](C)C1 ZINC000752745599 575314258 /nfs/dbraw/zinc/31/42/58/575314258.db2.gz DRSKMIYXGWKUCA-VIFPVBQESA-N 0 3 285.189 2.211 20 30 CEEDHN C#C[C@@H](CC)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000753124152 575320150 /nfs/dbraw/zinc/32/01/50/575320150.db2.gz AJJITLKKYQHUAJ-ZBFHGGJFSA-N 0 3 287.407 2.218 20 30 CEEDHN C[C@@H](C#N)CN(C)CC1CCC2(CC1)OCCO2 ZINC000753709311 575335856 /nfs/dbraw/zinc/33/58/56/575335856.db2.gz JMERZMVTQVYMEH-LBPRGKRZSA-N 0 3 252.358 2.011 20 30 CEEDHN C#CCOCCN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000753759223 575340057 /nfs/dbraw/zinc/34/00/57/575340057.db2.gz AKZOLJYBAQHEMN-ZDUSSCGKSA-N 0 3 277.364 2.313 20 30 CEEDHN C#CCOCCN[C@H](C)c1cc(F)ccc1OC ZINC000753767187 575340853 /nfs/dbraw/zinc/34/08/53/575340853.db2.gz JPFUOVQBCPYNGC-LLVKDONJSA-N 0 3 251.301 2.135 20 30 CEEDHN C#CCOCCN[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000753769747 575341006 /nfs/dbraw/zinc/34/10/06/575341006.db2.gz QHVWYQATZMXLKJ-AWEZNQCLSA-N 0 3 269.348 2.173 20 30 CEEDHN C[C@@H]1CCC(=CC(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000753800783 575343211 /nfs/dbraw/zinc/34/32/11/575343211.db2.gz FYVIUVDBOCIXBD-YBUYXDSISA-N 0 3 283.331 2.475 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC000967521704 613013470 /nfs/dbraw/zinc/01/34/70/613013470.db2.gz GSHBFEGLHYSHJZ-CABCVRRESA-N 0 3 276.424 2.417 20 30 CEEDHN C=CC1CC[NH+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000819729142 606970875 /nfs/dbraw/zinc/97/08/75/606970875.db2.gz DINSMMDKDVHZKY-UHFFFAOYSA-N 0 3 287.342 2.404 20 30 CEEDHN C=CC1CC[NH+](Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000819729142 606970876 /nfs/dbraw/zinc/97/08/76/606970876.db2.gz DINSMMDKDVHZKY-UHFFFAOYSA-N 0 3 287.342 2.404 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2C)C1 ZINC000970870638 612959865 /nfs/dbraw/zinc/95/98/65/612959865.db2.gz PKPICLUWWHQZNE-OAHLLOKOSA-N 0 3 284.403 2.096 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2)C1 ZINC000970640935 612961129 /nfs/dbraw/zinc/96/11/29/612961129.db2.gz YJQZXTFVTLSXAJ-GOEBONIOSA-N 0 3 270.376 2.004 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](F)CC2CCCCC2)C1 ZINC000970487653 612963259 /nfs/dbraw/zinc/96/32/59/612963259.db2.gz LNNJQYOBBGTXTM-HUUCEWRRSA-N 0 3 280.387 2.119 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2c[nH]c3c2cccc3CC)C1 ZINC000970800481 612964258 /nfs/dbraw/zinc/96/42/58/612964258.db2.gz PWEUNAMMOMAZFO-CQSZACIVSA-N 0 3 295.386 2.168 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)C1 ZINC000969803781 612965405 /nfs/dbraw/zinc/96/54/05/612965405.db2.gz COFVNCDNYBIXAU-CYBMUJFWSA-N 0 3 276.767 2.086 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cccc(C(C)(C)C)c2)C1 ZINC000970310890 612965999 /nfs/dbraw/zinc/96/59/99/612965999.db2.gz YLBGDXJWISAAQG-MRXNPFEDSA-N 0 3 284.403 2.421 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccccc2C(C)C)C1 ZINC000968860275 612966453 /nfs/dbraw/zinc/96/64/53/612966453.db2.gz HSLANCIITGELQA-CQSZACIVSA-N 0 3 270.376 2.247 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cccc3c2CCCCC3)C1 ZINC000969013125 612966538 /nfs/dbraw/zinc/96/65/38/612966538.db2.gz HAHFJIKPPLTBHB-MRXNPFEDSA-N 0 3 296.414 2.393 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cccc(C)c2F)C1 ZINC000969723167 612995116 /nfs/dbraw/zinc/99/51/16/612995116.db2.gz UODDYDLYSFJHAJ-CYBMUJFWSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cccn2C(C)C)C1 ZINC000970886258 612995622 /nfs/dbraw/zinc/99/56/22/612995622.db2.gz IEUMZFYZVORASN-CQSZACIVSA-N 0 3 287.407 2.142 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(F)c(F)c2)C1 ZINC000969841520 612997396 /nfs/dbraw/zinc/99/73/96/612997396.db2.gz KQWDHSXTCWJEPV-NSHDSACASA-N 0 3 292.329 2.038 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccnc(C3CC3)c2)C1 ZINC000970065603 612997855 /nfs/dbraw/zinc/99/78/55/612997855.db2.gz AUNNHPLOXCNEQH-ZDUSSCGKSA-N 0 3 297.402 2.032 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cccc(C)c2F)C1 ZINC000969723168 612997890 /nfs/dbraw/zinc/99/78/90/612997890.db2.gz UODDYDLYSFJHAJ-ZDUSSCGKSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCCN1CCCN(C(=O)c2cc[nH]c2CCC)CC1 ZINC000981801898 613005783 /nfs/dbraw/zinc/00/57/83/613005783.db2.gz BWKSZHGSSDOQFT-UHFFFAOYSA-N 0 3 287.407 2.138 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc3occc3[nH]2)C1 ZINC000966488489 613015516 /nfs/dbraw/zinc/01/55/16/613015516.db2.gz HWCZZUUPQZPMDQ-IUODEOHRSA-N 0 3 299.374 2.224 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC000964840827 613022937 /nfs/dbraw/zinc/02/29/37/613022937.db2.gz YCGRIBCIROAUQY-BBRMVZONSA-N 0 3 288.366 2.289 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC000966381454 613023119 /nfs/dbraw/zinc/02/31/19/613023119.db2.gz BTIOJTMYWPXCPZ-GUYCJALGSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(CC)n2)C(C)(C)C1 ZINC000974677976 613032770 /nfs/dbraw/zinc/03/27/70/613032770.db2.gz YTBAAXFMLFAWFB-MRXNPFEDSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2csnc2C)CC1 ZINC000948316224 613164210 /nfs/dbraw/zinc/16/42/10/613164210.db2.gz LSPVYDQZDZCKBM-CYBMUJFWSA-N 0 3 291.420 2.011 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc(C)c(C)cn2)CC1 ZINC000948635867 613178941 /nfs/dbraw/zinc/17/89/41/613178941.db2.gz XZVOAZWLJRDPEF-INIZCTEOSA-N 0 3 299.418 2.258 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc(CC)o2)CC1 ZINC000948556665 613178990 /nfs/dbraw/zinc/17/89/90/613178990.db2.gz 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C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)c(CC)s1 ZINC000962487109 613840885 /nfs/dbraw/zinc/84/08/85/613840885.db2.gz XKQKWIZGJPIOIQ-JYAVWHMHSA-N 0 3 290.432 2.465 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C)c2c1CCC2 ZINC000962857637 613841944 /nfs/dbraw/zinc/84/19/44/613841944.db2.gz XFCMCGFYYXAIPX-PIIMJCKOSA-N 0 3 296.414 2.330 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1C1CC1 ZINC000961594203 613843485 /nfs/dbraw/zinc/84/34/85/613843485.db2.gz NVZAGADZUGTEMF-WDNDVIMCSA-N 0 3 272.348 2.003 20 30 CEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc[nH]1 ZINC000960255027 613871360 /nfs/dbraw/zinc/87/13/60/613871360.db2.gz MHALAMSXCSTUMT-HZPDHXFCSA-N 0 3 281.359 2.186 20 30 CEEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)C2CC2)C1 ZINC000970924015 616168106 /nfs/dbraw/zinc/16/81/06/616168106.db2.gz LGZHIFNDRCVCEF-INIZCTEOSA-N 0 3 283.375 2.001 20 30 CEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccccc1F ZINC001024305869 625503723 /nfs/dbraw/zinc/50/37/23/625503723.db2.gz 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/nfs/dbraw/zinc/33/02/11/623330211.db2.gz RIVZJYSVKRQRMZ-INIZCTEOSA-N 0 3 283.375 2.001 20 30 CEEDHN C[C@H](C#N)C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC000971207951 623487307 /nfs/dbraw/zinc/48/73/07/623487307.db2.gz IVBXROZPKGZMMT-DOMZBBRYSA-N 0 3 289.354 2.018 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CC(C)C2)C1 ZINC001021951018 623590396 /nfs/dbraw/zinc/59/03/96/623590396.db2.gz UQLIDQCSUHTUSL-JZOPBLKISA-N 0 3 256.777 2.022 20 30 CEEDHN C#CCC1(NCC(=O)Nc2ccc(OC)cc2)CCC1 ZINC000933298253 623619087 /nfs/dbraw/zinc/61/90/87/623619087.db2.gz DVWVKTJUGPFSGF-UHFFFAOYSA-N 0 3 272.348 2.169 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(C)coc2C)C1 ZINC001022037453 623660436 /nfs/dbraw/zinc/66/04/36/623660436.db2.gz NNGMRWYERHBXLZ-TXEJJXNPSA-N 0 3 282.771 2.499 20 30 CEEDHN C#CCN(C[C@@H](O)COC)[C@H]1CCCc2ccccc21 ZINC000933417376 623728053 /nfs/dbraw/zinc/72/80/53/623728053.db2.gz CVIUWQVJKKVGOJ-WBVHZDCISA-N 0 3 273.376 2.007 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2scnc2CC)C1 ZINC001022170118 623823665 /nfs/dbraw/zinc/82/36/65/623823665.db2.gz LGZVTESDHAGKDT-AOOOYVTPSA-N 0 3 299.827 2.308 20 30 CEEDHN C[S@](=O)CCN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933608281 623917477 /nfs/dbraw/zinc/91/74/77/623917477.db2.gz XINYSFJWYVDGAQ-IBGZPJMESA-N 0 3 276.405 2.116 20 30 CEEDHN C[C@@]1(Br)C[C@H]1CN1CCC(C#N)CC1 ZINC000891851927 624026506 /nfs/dbraw/zinc/02/65/06/624026506.db2.gz DJNKDSHLKHVPDN-WDEREUQCSA-N 0 3 257.175 2.395 20 30 CEEDHN C[C@@H](O)C[C@H]1CCCN1Cc1csc(C#N)c1 ZINC000892066932 624290275 /nfs/dbraw/zinc/29/02/75/624290275.db2.gz ZRDRSGOUTOFFQL-ZYHUDNBSSA-N 0 3 250.367 2.355 20 30 CEEDHN C[C@@H]1C[C@H]1C(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000972090168 624397145 /nfs/dbraw/zinc/39/71/45/624397145.db2.gz HVXBRTMHXOOQFB-XOKHGSTOSA-N 0 3 297.402 2.247 20 30 CEEDHN C=CC[C@@H]1CCN1C[C@H](O)c1cc(OC)ccc1OC ZINC000934460461 624507652 /nfs/dbraw/zinc/50/76/52/624507652.db2.gz POMFIAHFHHDHNI-DOMZBBRYSA-N 0 3 277.364 2.388 20 30 CEEDHN C=CC[C@@H]1CCN1[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000934470149 624517959 /nfs/dbraw/zinc/51/79/59/624517959.db2.gz BKODZFOCGDUDCP-UONOGXRCSA-N 0 3 250.386 2.284 20 30 CEEDHN C#C[C@@H]1CCCCN1C[C@@H]1CC2(CO1)CCOCC2 ZINC000934518960 624555506 /nfs/dbraw/zinc/55/55/06/624555506.db2.gz OBFNZGWOYZYYBD-CABCVRRESA-N 0 3 263.381 2.060 20 30 CEEDHN C#C[C@@H]1CCCCN1C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000934518300 624558132 /nfs/dbraw/zinc/55/81/32/624558132.db2.gz GSZCMRLUNVUJOV-FGTMMUONSA-N 0 3 287.403 2.349 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H](CNC(=O)C3CC3)C2)cc1 ZINC001023191602 624957686 /nfs/dbraw/zinc/95/76/86/624957686.db2.gz IWNSIUHYJPKXPF-INIZCTEOSA-N 0 3 297.402 2.296 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2occc2C)C1 ZINC001023237227 624969220 /nfs/dbraw/zinc/96/92/20/624969220.db2.gz NXEZANPCILTXKZ-CQSZACIVSA-N 0 3 274.364 2.053 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000892351557 624978576 /nfs/dbraw/zinc/97/85/76/624978576.db2.gz MEBMFMCOUYOKMX-OLZOCXBDSA-N 0 3 267.417 2.371 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001023409266 625006322 /nfs/dbraw/zinc/00/63/22/625006322.db2.gz XHFXMLPZTIRTST-KGLIPLIRSA-N 0 3 298.377 2.273 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)C23CCC(CC2)C3)C1 ZINC001023445051 625016073 /nfs/dbraw/zinc/01/60/73/625016073.db2.gz DXVFAPKFPDTRSS-CKDBGZEDSA-N 0 3 274.408 2.028 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2c(C)cc(C)nc2C)C1 ZINC001023501956 625026667 /nfs/dbraw/zinc/02/66/67/625026667.db2.gz MIQGDHBEJAQUJN-INIZCTEOSA-N 0 3 299.418 2.082 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(C)co2)C1 ZINC001023544192 625039701 /nfs/dbraw/zinc/03/97/01/625039701.db2.gz BRIPFSDELNGGRV-CQSZACIVSA-N 0 3 274.364 2.053 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2occc2Cl)C1 ZINC001023577321 625047315 /nfs/dbraw/zinc/04/73/15/625047315.db2.gz SSLPLZTXRVEJMQ-LBPRGKRZSA-N 0 3 294.782 2.398 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(Cl)[nH]2)C1 ZINC001023577522 625048320 /nfs/dbraw/zinc/04/83/20/625048320.db2.gz VVJCQWKKCWOBTQ-LBPRGKRZSA-N 0 3 293.798 2.133 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001023720038 625133934 /nfs/dbraw/zinc/13/39/34/625133934.db2.gz LLZXRURYYMBJKD-INIZCTEOSA-N 0 3 284.403 2.460 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc(F)cc(F)c2)C1 ZINC001023736952 625166897 /nfs/dbraw/zinc/16/68/97/625166897.db2.gz KPDUNSVAQONILO-LBPRGKRZSA-N 0 3 292.329 2.040 20 30 CEEDHN CCCCCCCC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000122091947 625966170 /nfs/dbraw/zinc/96/61/70/625966170.db2.gz SFAJDVLWSQYBSP-MRXNPFEDSA-N 0 3 297.487 2.347 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@@H](C)O1 ZINC001017888222 627362259 /nfs/dbraw/zinc/36/22/59/627362259.db2.gz JGSBOSIZINJYBU-WCVJEAGWSA-N 0 3 292.423 2.195 20 30 CEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)/C=C\C1CC1 ZINC001025217425 627384352 /nfs/dbraw/zinc/38/43/52/627384352.db2.gz YYZVQAOMPYXFMD-SCEITDHKSA-N 0 3 286.419 2.431 20 30 CEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)/C(C)=C/C ZINC001025220456 627385051 /nfs/dbraw/zinc/38/50/51/627385051.db2.gz FXUAFUMEUACJJJ-HFWZVKQJSA-N 0 3 274.408 2.431 20 30 CEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1ccc[nH]1 ZINC001025302981 627398454 /nfs/dbraw/zinc/39/84/54/627398454.db2.gz ZVTBEBIXWGTKIL-DLBZAZTESA-N 0 3 299.418 2.036 20 30 CEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccncc2CC)C1 ZINC001025465233 627710543 /nfs/dbraw/zinc/71/05/43/627710543.db2.gz TYAMJQUAIWDTTG-HOCLYGCPSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C)[nH]c2C)C1 ZINC001025546515 627744074 /nfs/dbraw/zinc/74/40/74/627744074.db2.gz QQWWFWLTGXYKHD-UKRRQHHQSA-N 0 3 287.407 2.095 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892814930 627789068 /nfs/dbraw/zinc/78/90/68/627789068.db2.gz WSGBHGFBOLKQBU-MRXNPFEDSA-N 0 3 285.391 2.085 20 30 CEEDHN C=CC[C@@H](CO)CNc1ccnc2ccc(OC)cc21 ZINC000893097119 628000137 /nfs/dbraw/zinc/00/01/37/628000137.db2.gz ZCMKSCRCKMXWAD-GFCCVEGCSA-N 0 3 272.348 2.262 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]1CC ZINC001026016186 628002072 /nfs/dbraw/zinc/00/20/72/628002072.db2.gz JOWGMRSWZFPKDT-BTFPBAQTSA-N 0 3 262.397 2.045 20 30 CEEDHN C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@H]12 ZINC001026206669 628077968 /nfs/dbraw/zinc/07/79/68/628077968.db2.gz KCRNETTWNMNLMO-VHDGCEQUSA-N 0 3 286.375 2.018 20 30 CEEDHN C=CCC[N@@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC000893929176 629049184 /nfs/dbraw/zinc/04/91/84/629049184.db2.gz DFFRMOIYOQREQX-UHFFFAOYSA-N 0 3 251.326 2.417 20 30 CEEDHN C=CCC[N@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC000893929176 629049187 /nfs/dbraw/zinc/04/91/87/629049187.db2.gz DFFRMOIYOQREQX-UHFFFAOYSA-N 0 3 251.326 2.417 20 30 CEEDHN COc1ccc2nccc(N3CC[C@@](O)(CC#N)C3)c2c1 ZINC000894348645 629379427 /nfs/dbraw/zinc/37/94/27/629379427.db2.gz AQOMSQBMMDBRMW-INIZCTEOSA-N 0 3 283.331 2.098 20 30 CEEDHN CCN(CC)c1ccc(C=NN(C)CCOC)cc1 ZINC000794967802 629381308 /nfs/dbraw/zinc/38/13/08/629381308.db2.gz JROXTZZJSVSGJZ-UHFFFAOYSA-N 0 3 263.385 2.445 20 30 CEEDHN N#Cc1cc(CN2CC[C@H](O)C23CCCC3)cs1 ZINC000894611640 629558038 /nfs/dbraw/zinc/55/80/38/629558038.db2.gz WAIDUIRJXZXOCI-ZDUSSCGKSA-N 0 3 262.378 2.499 20 30 CEEDHN C[C@H]1[C@H](NC(=O)c2cc(C#N)ccc2Cl)CCN1C ZINC000928437639 629664846 /nfs/dbraw/zinc/66/48/46/629664846.db2.gz RKRBMAGGWJWENM-TVQRCGJNSA-N 0 3 277.755 2.034 20 30 CEEDHN Cc1cc(NCC#CCN(C)C)nc(C2CCC2)n1 ZINC000894871424 629708252 /nfs/dbraw/zinc/70/82/52/629708252.db2.gz FBUKZSYHJJSULF-UHFFFAOYSA-N 0 3 258.369 2.029 20 30 CEEDHN CCCCCCCN1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000796127654 629779651 /nfs/dbraw/zinc/77/96/51/629779651.db2.gz GLQSMXSOWOJEDI-AWEZNQCLSA-N 0 3 290.473 2.313 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc([O-])c(F)c1 ZINC000895005125 629789159 /nfs/dbraw/zinc/78/91/59/629789159.db2.gz AGYUXZMFPPHHAV-FZMZJTMJSA-N 0 3 251.301 2.212 20 30 CEEDHN CC1=C[C@H](C)C[C@H](CN2CCN(C(=O)CC#N)CC2)C1 ZINC000895066906 629842485 /nfs/dbraw/zinc/84/24/85/629842485.db2.gz YXRZTGPNLVCUGI-ZFWWWQNUSA-N 0 3 275.396 2.037 20 30 CEEDHN CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895159282 629976674 /nfs/dbraw/zinc/97/66/74/629976674.db2.gz CYKJMGVEGXQNEJ-XQQFMLRXSA-N 0 3 256.390 2.417 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000895160437 629978310 /nfs/dbraw/zinc/97/83/10/629978310.db2.gz ILYLCCWSMSBKSU-CHWSQXEVSA-N 0 3 265.401 2.077 20 30 CEEDHN CC[C@H](C)[C@H](NC(C)=O)C(=O)C(C#N)c1nc(C)cs1 ZINC000796738281 629982980 /nfs/dbraw/zinc/98/29/80/629982980.db2.gz INLBYQMYVUTNEU-AXTRIDKLSA-N 0 3 293.392 2.179 20 30 CEEDHN C[C@@H]([NH2+][C@H]1CCCN([O-])C1=O)C1CCC(F)(F)CC1 ZINC000895162463 629983017 /nfs/dbraw/zinc/98/30/17/629983017.db2.gz ZXVZMSMJZKAMHQ-KOLCDFICSA-N 0 3 276.327 2.170 20 30 CEEDHN CC1(C)CC(C(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000796777667 630002641 /nfs/dbraw/zinc/00/26/41/630002641.db2.gz DFGVMRKONJLZDL-AWEZNQCLSA-N 0 3 284.359 2.448 20 30 CEEDHN C#C[C@@H]1CCCN(Cc2ccccc2OCC(=O)OC)C1 ZINC000895202041 630030657 /nfs/dbraw/zinc/03/06/57/630030657.db2.gz JTNQKFVZBDXNLH-CQSZACIVSA-N 0 3 287.359 2.084 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN1CCN(C)C(C)(C)C1 ZINC000895564964 630249586 /nfs/dbraw/zinc/24/95/86/630249586.db2.gz QUVBTMHMJMTJMW-UHFFFAOYSA-N 0 3 286.423 2.150 20 30 CEEDHN CCOC(=O)C1=CC[C@H](NCC#Cc2ccccc2)C1 ZINC000895599585 630265894 /nfs/dbraw/zinc/26/58/94/630265894.db2.gz QUADXPYRVCGZGL-INIZCTEOSA-N 0 3 269.344 2.280 20 30 CEEDHN C#CC1(NCc2cc(C)c(C(=O)OC)[nH]2)CCCC1 ZINC000895675106 630295521 /nfs/dbraw/zinc/29/55/21/630295521.db2.gz MNALRJNNPSJDGL-UHFFFAOYSA-N 0 3 260.337 2.145 20 30 CEEDHN COC(=O)C[C@](C)(NCc1csc(C#N)c1)C1CC1 ZINC000895785857 630344725 /nfs/dbraw/zinc/34/47/25/630344725.db2.gz JJKIUJSKLIRDAK-AWEZNQCLSA-N 0 3 278.377 2.441 20 30 CEEDHN CCN1CCCN(C(=O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000320282975 630606463 /nfs/dbraw/zinc/60/64/63/630606463.db2.gz WZDIZCOEKHRUAA-ZDUSSCGKSA-N 0 3 271.364 2.115 20 30 CEEDHN CC[C@H](C)[C@](C)(O)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902802607 634828268 /nfs/dbraw/zinc/82/82/68/634828268.db2.gz PIACDHFRVTWWAK-YWPYICTPSA-N 0 3 261.369 2.401 20 30 CEEDHN C#C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000798553368 630889534 /nfs/dbraw/zinc/88/95/34/630889534.db2.gz SUILQUMSUXPAAI-IAGOWNOFSA-N 0 3 299.418 2.218 20 30 CEEDHN CCO[C@H]1CCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000897067901 630914986 /nfs/dbraw/zinc/91/49/86/630914986.db2.gz QHMKOVJXJMEMTP-HNNXBMFYSA-N 0 3 273.380 2.235 20 30 CEEDHN C#CCN(C[C@@H](CCOC)NC(=O)OC(C)(C)C)C(C)C ZINC000897170803 630973537 /nfs/dbraw/zinc/97/35/37/630973537.db2.gz ILFGTNGCALITLP-CQSZACIVSA-N 0 3 298.427 2.260 20 30 CEEDHN CCN(C)c1ccc(C(C)=NNCC(C)(C)CO)cc1 ZINC000799117670 630981435 /nfs/dbraw/zinc/98/14/35/630981435.db2.gz XJCMGBRVQJNQPV-UHFFFAOYSA-N 0 3 277.412 2.475 20 30 CEEDHN Cc1ccc(C(=O)NCCN2CCC(C)CC2)cc1C#N ZINC000799561050 631044569 /nfs/dbraw/zinc/04/45/69/631044569.db2.gz UKKJLLGSOUCREM-UHFFFAOYSA-N 0 3 285.391 2.328 20 30 CEEDHN C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC000985984131 631198900 /nfs/dbraw/zinc/19/89/00/631198900.db2.gz ICSJVBJEQVHJEF-OCCSQVGLSA-N 0 3 274.364 2.161 20 30 CEEDHN C=CC[C@H](C)[C@@H](C)NCc1noc2c1COCC2 ZINC000897365438 631205637 /nfs/dbraw/zinc/20/56/37/631205637.db2.gz HIXZYYBIYYDQHB-WDEREUQCSA-N 0 3 250.342 2.438 20 30 CEEDHN CC#CC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000801166570 631228626 /nfs/dbraw/zinc/22/86/26/631228626.db2.gz PKKNQASIMRHEPZ-UHFFFAOYSA-N 0 3 270.376 2.133 20 30 CEEDHN C[C@H](C#N)OCCN1CCC[C@@H](Nc2ccccc2)C1 ZINC000801933511 631361136 /nfs/dbraw/zinc/36/11/36/631361136.db2.gz BTIBQRSVDBIATI-GDBMZVCRSA-N 0 3 273.380 2.492 20 30 CEEDHN CC[C@H](NCCO[C@@H](C)C#N)c1c(C)noc1C ZINC000801939962 631364438 /nfs/dbraw/zinc/36/44/38/631364438.db2.gz XHGANFXXOPKLEH-CABZTGNLSA-N 0 3 251.330 2.261 20 30 CEEDHN Cc1cc(F)ccc1CN(C)CCO[C@H](C)C#N ZINC000801948649 631367730 /nfs/dbraw/zinc/36/77/30/631367730.db2.gz CUMDCCPCHRLIJE-GFCCVEGCSA-N 0 3 250.317 2.495 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)C=C2CCCCC2)C1 ZINC000988284955 631492571 /nfs/dbraw/zinc/49/25/71/631492571.db2.gz XFIVMYVGDDIAFH-UKRRQHHQSA-N 0 3 260.381 2.089 20 30 CEEDHN C=CCN1CCN(CN2CCC[C@@H](CC)CC2)C1=O ZINC000840011362 631592928 /nfs/dbraw/zinc/59/29/28/631592928.db2.gz ZRZJUAAZYRWSLH-CQSZACIVSA-N 0 3 265.401 2.380 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2sccc2Cl)C1 ZINC000988865896 631701556 /nfs/dbraw/zinc/70/15/56/631701556.db2.gz LOSNPYIAKWXXMN-ZJUUUORDSA-N 0 3 282.796 2.227 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc3c2CCCC3)C1 ZINC000988876890 631703440 /nfs/dbraw/zinc/70/34/40/631703440.db2.gz SDAVYJNTYBCJSX-ZBFHGGJFSA-N 0 3 296.414 2.391 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CC2(c3ccccc3)CC2)C1 ZINC000988933809 631709280 /nfs/dbraw/zinc/70/92/80/631709280.db2.gz NDQLFKWNSJQLHG-WBVHZDCISA-N 0 3 296.414 2.321 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CCc2ccc(C)cc2)C1 ZINC000989152348 631737277 /nfs/dbraw/zinc/73/72/77/631737277.db2.gz CXZYYRNEHNSJLJ-RDJZCZTQSA-N 0 3 284.403 2.140 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000989274344 631766101 /nfs/dbraw/zinc/76/61/01/631766101.db2.gz RMSAFBGWYUCTAJ-BXUZGUMPSA-N 0 3 299.349 2.133 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2cc(C)cc(C)c2)C1 ZINC000989403247 631815506 /nfs/dbraw/zinc/81/55/06/631815506.db2.gz UAJAVNKDBHQIFL-RDJZCZTQSA-N 0 3 284.403 2.058 20 30 CEEDHN COC(=O)C[C@H](NCc1cccc(C#N)n1)C(C)(C)C ZINC000897887975 631961714 /nfs/dbraw/zinc/96/17/14/631961714.db2.gz YFDYRVMRJYSYSB-ZDUSSCGKSA-N 0 3 275.352 2.021 20 30 CEEDHN C=CCC[C@H](CC)[NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898156364 632074062 /nfs/dbraw/zinc/07/40/62/632074062.db2.gz DTQRBKZNCMPCKR-QWHCGFSZSA-N 0 3 276.384 2.095 20 30 CEEDHN CC(C)(NC[C@H](O)CC#N)c1cccc(Cl)c1 ZINC000809578226 632104275 /nfs/dbraw/zinc/10/42/75/632104275.db2.gz JKQJMAJDPDGJQV-GFCCVEGCSA-N 0 3 252.745 2.439 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C)c(F)c2F)C1 ZINC000989468691 632176993 /nfs/dbraw/zinc/17/69/93/632176993.db2.gz FYDNEBKQWYPBHS-RYUDHWBXSA-N 0 3 292.329 2.099 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(Cl)cs2)C1 ZINC000989512116 632196518 /nfs/dbraw/zinc/19/65/18/632196518.db2.gz XWAGNWKABAHVGY-ONGXEEELSA-N 0 3 282.796 2.227 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(Cl)s2)C1 ZINC000989532971 632201274 /nfs/dbraw/zinc/20/12/74/632201274.db2.gz KTNYYOZQVARWPC-GHMZBOCLSA-N 0 3 296.823 2.156 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccn2C2CCCC2)C1 ZINC000989616634 632212897 /nfs/dbraw/zinc/21/28/97/632212897.db2.gz YIZYFAAQSPWTSO-LSDHHAIUSA-N 0 3 299.418 2.429 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3scnc3c2)C1 ZINC000989635307 632215377 /nfs/dbraw/zinc/21/53/77/632215377.db2.gz LPORIWMZSSIAKE-AAEUAGOBSA-N 0 3 299.399 2.122 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3cccnc3s2)C1 ZINC000989642543 632216653 /nfs/dbraw/zinc/21/66/53/632216653.db2.gz IOGDSPYGIKOFQX-DGCLKSJQSA-N 0 3 299.399 2.122 20 30 CEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)C(C#N)c2ccccn2)C1 ZINC000810526768 632222028 /nfs/dbraw/zinc/22/20/28/632222028.db2.gz CXZVNFYRMKETAX-WBMJQRKESA-N 0 3 289.354 2.470 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C3CC3)s2)C1 ZINC000989677776 632222653 /nfs/dbraw/zinc/22/26/53/632222653.db2.gz ZJYWJFRTCJBGGA-AAEUAGOBSA-N 0 3 288.416 2.451 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C)c3c2CCC3)C1 ZINC000989838875 632250413 /nfs/dbraw/zinc/25/04/13/632250413.db2.gz QGFXFSBYCJSDQL-HUUCEWRRSA-N 0 3 296.414 2.310 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC000989842939 632252770 /nfs/dbraw/zinc/25/27/70/632252770.db2.gz YIBOCHBVYQIFST-JDPPGYRCSA-N 0 3 288.435 2.415 20 30 CEEDHN C=CC[N@@H+]1CC[C@]2(NC(=O)c3ccccc3[O-])CCC[C@H]12 ZINC000989960434 632290279 /nfs/dbraw/zinc/29/02/79/632290279.db2.gz IMYGVADQHPEHJA-DOTOQJQBSA-N 0 3 286.375 2.305 20 30 CEEDHN C=CC[N@H+]1CC[C@]2(NC(=O)c3ccccc3[O-])CCC[C@H]12 ZINC000989960434 632290282 /nfs/dbraw/zinc/29/02/82/632290282.db2.gz IMYGVADQHPEHJA-DOTOQJQBSA-N 0 3 286.375 2.305 20 30 CEEDHN C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187256 632355194 /nfs/dbraw/zinc/35/51/94/632355194.db2.gz DLUAKJCMGDCDFJ-AWEZNQCLSA-N 0 3 288.347 2.295 20 30 CEEDHN C[N@H+]1CCCC[C@H]1CCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187256 632355195 /nfs/dbraw/zinc/35/51/95/632355195.db2.gz DLUAKJCMGDCDFJ-AWEZNQCLSA-N 0 3 288.347 2.295 20 30 CEEDHN C=CC(C)(C)NCc1c2c(nn1C)CCSC2 ZINC000898460470 632504445 /nfs/dbraw/zinc/50/44/45/632504445.db2.gz LVYWCTVHVGWQCQ-UHFFFAOYSA-N 0 3 251.399 2.264 20 30 CEEDHN CC(C)[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2C#N)CCN1 ZINC000899021479 632682328 /nfs/dbraw/zinc/68/23/28/632682328.db2.gz NBBPKSLVNBVWHL-HNNXBMFYSA-N 0 3 296.374 2.110 20 30 CEEDHN C#CC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000813752276 632732009 /nfs/dbraw/zinc/73/20/09/632732009.db2.gz QEGFBIUXLJPMQT-MRXNPFEDSA-N 0 3 272.392 2.237 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)CCC[C@@H]12 ZINC000990786215 632861398 /nfs/dbraw/zinc/86/13/98/632861398.db2.gz BFDNEAWDMAQARX-FSNPWBFUSA-N 0 3 298.430 2.335 20 30 CEEDHN CC(=NNC[C@H](C)O)c1ccc(N2CCCCC2)cc1 ZINC000814963667 632942871 /nfs/dbraw/zinc/94/28/71/632942871.db2.gz OHDZOMWIBLHEDX-ZDUSSCGKSA-N 0 3 275.396 2.371 20 30 CEEDHN CN(C1CCCC1)C(C)(C)C(=O)OCCOCCC#N ZINC000815229657 632983032 /nfs/dbraw/zinc/98/30/32/632983032.db2.gz GUTGITCDQFEBGW-UHFFFAOYSA-N 0 3 282.384 2.113 20 30 CEEDHN C#CCOc1ccccc1CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000816653001 633458149 /nfs/dbraw/zinc/45/81/49/633458149.db2.gz BNUJULZLNJSPKU-GASCZTMLSA-N 0 3 272.392 2.223 20 30 CEEDHN C[C@@H](C#N)OCCN1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000817289182 633619898 /nfs/dbraw/zinc/61/98/98/633619898.db2.gz UINYAUMFBZMOGG-HZSPNIEDSA-N 0 3 296.411 2.215 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000817618131 633705042 /nfs/dbraw/zinc/70/50/42/633705042.db2.gz VHPDUFAGIMQJSJ-OAHLLOKOSA-N 0 3 283.391 2.207 20 30 CEEDHN N#Cc1ccnc(Cn2cc(CNC3CCCCC3)nn2)c1 ZINC000900628240 633786670 /nfs/dbraw/zinc/78/66/70/633786670.db2.gz HDAUJVIQBAKCOB-UHFFFAOYSA-N 0 3 296.378 2.015 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(OC)cc1Cl ZINC000818595576 633955084 /nfs/dbraw/zinc/95/50/84/633955084.db2.gz BEGROPZJJJSZDS-UHFFFAOYSA-N 0 3 294.782 2.034 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCCC1CCCC1 ZINC000818599436 633956709 /nfs/dbraw/zinc/95/67/09/633956709.db2.gz QQZGNQGHEOIDOS-UHFFFAOYSA-N 0 3 264.413 2.418 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](F)CC1CCCCC1 ZINC000818606462 633957207 /nfs/dbraw/zinc/95/72/07/633957207.db2.gz UNEUMROZGRBOIW-OAHLLOKOSA-N 0 3 282.403 2.366 20 30 CEEDHN CC#CCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000901262736 634026142 /nfs/dbraw/zinc/02/61/42/634026142.db2.gz ZQZRQCABMGSNBH-UHFFFAOYSA-N 0 3 255.321 2.044 20 30 CEEDHN C=CCN1CCC(NC(=O)C(F)=C2CCC2)CC1 ZINC000819250263 634117690 /nfs/dbraw/zinc/11/76/90/634117690.db2.gz WELAIOACVSXLPD-UHFFFAOYSA-N 0 3 252.333 2.161 20 30 CEEDHN Cc1cc(C(C#N)C(=O)C=C[C@@H]2CCCO2)nc(C)n1 ZINC000819941328 634292816 /nfs/dbraw/zinc/29/28/16/634292816.db2.gz KETMLUIVCWCLAA-IBPBTGAJSA-N 0 3 271.320 2.005 20 30 CEEDHN C#CCCN(CC(F)(F)F)C(=O)CN(C)CC(C)(C)C ZINC000821995809 634835098 /nfs/dbraw/zinc/83/50/98/634835098.db2.gz ABOFJOCVCMADDV-UHFFFAOYSA-N 0 3 292.345 2.379 20 30 CEEDHN CC(C)[C@@H](O)C1(CN[C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902896539 634885648 /nfs/dbraw/zinc/88/56/48/634885648.db2.gz LACNVYOBZOFMKP-IUODEOHRSA-N 0 3 273.380 2.401 20 30 CEEDHN C[C@H](NCC1(CO)CCCC1)c1cc(C#N)ccn1 ZINC000902957268 634912617 /nfs/dbraw/zinc/91/26/17/634912617.db2.gz ICLXLRGVQXIAHQ-LBPRGKRZSA-N 0 3 259.353 2.157 20 30 CEEDHN C[C@@H](NCCc1cn2c(n1)SCC2)c1cc(C#N)ccn1 ZINC000902957451 634912719 /nfs/dbraw/zinc/91/27/19/634912719.db2.gz SKSATJYKGZTYDP-LLVKDONJSA-N 0 3 299.403 2.149 20 30 CEEDHN CC[C@@H](N[C@@H](CC)c1cccc(C#N)c1)C(=O)NC ZINC000903014915 634925747 /nfs/dbraw/zinc/92/57/47/634925747.db2.gz BEWGEDDYLACABP-UONOGXRCSA-N 0 3 259.353 2.124 20 30 CEEDHN CCOC(=O)NC1CCC(NCC2(C#N)CCC2)CC1 ZINC000903034715 634940153 /nfs/dbraw/zinc/94/01/53/634940153.db2.gz BLEWOFNLQKLCSZ-UHFFFAOYSA-N 0 3 279.384 2.327 20 30 CEEDHN CC(C)[C@@H]1COCC[C@@H]1NCc1nc(C#N)cs1 ZINC000903263277 635036083 /nfs/dbraw/zinc/03/60/83/635036083.db2.gz KZWNVZRBSBFKJS-RYUDHWBXSA-N 0 3 265.382 2.165 20 30 CEEDHN Cc1ccc(CN(CCN(C)C)C(=O)C#CC(C)C)o1 ZINC000824381482 635416630 /nfs/dbraw/zinc/41/66/30/635416630.db2.gz XHBSKIXMWQDBHW-UHFFFAOYSA-N 0 3 276.380 2.138 20 30 CEEDHN C=CCC1(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCCC1 ZINC000825517554 635651480 /nfs/dbraw/zinc/65/14/80/635651480.db2.gz XCBCKRWPQPWEPQ-GJZGRUSLSA-N 0 3 292.423 2.102 20 30 CEEDHN C#C[C@H](CC)NCc1ccc(O[C@H]2CCOC2)cc1 ZINC000825878309 635725469 /nfs/dbraw/zinc/72/54/69/635725469.db2.gz IWGQRSKFGMKQBJ-ZBFHGGJFSA-N 0 3 259.349 2.356 20 30 CEEDHN Cc1cccc([C@H](O)CNCc2ccc(C#N)cn2)c1 ZINC000905262098 636180818 /nfs/dbraw/zinc/18/08/18/636180818.db2.gz NOWSAWHKTOKIIK-MRXNPFEDSA-N 0 3 267.332 2.085 20 30 CEEDHN C#C[C@@H](NCc1cnc2ccc(C)cn12)C1CCOCC1 ZINC000827566099 636355744 /nfs/dbraw/zinc/35/57/44/636355744.db2.gz SDJGPMLSTZGEAN-MRXNPFEDSA-N 0 3 283.375 2.161 20 30 CEEDHN C#C[C@H](NCc1cnn(C(C)(C)C)c1)C1CCOCC1 ZINC000827571001 636357079 /nfs/dbraw/zinc/35/70/79/636357079.db2.gz VPGAOPQSVIFJFD-HNNXBMFYSA-N 0 3 275.396 2.156 20 30 CEEDHN C=CCCCCN(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000827807581 636429625 /nfs/dbraw/zinc/42/96/25/636429625.db2.gz CYZCHMHZSHUQNU-NSHDSACASA-N 0 3 278.318 2.438 20 30 CEEDHN C#CCCN(CCOC)Cc1cc(OC)c(OC)cc1C ZINC000827823397 636434880 /nfs/dbraw/zinc/43/48/80/636434880.db2.gz NUFSCMCDKMNKQQ-UHFFFAOYSA-N 0 3 291.391 2.484 20 30 CEEDHN N#Cc1ccc([C@H](NC[C@]23C[C@H]2CCCC3)C(N)=O)cc1 ZINC000905846331 636504806 /nfs/dbraw/zinc/50/48/06/636504806.db2.gz MPUNSXYFJZZRNI-VYDXJSESSA-N 0 3 283.375 2.255 20 30 CEEDHN CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000828141009 636519610 /nfs/dbraw/zinc/51/96/10/636519610.db2.gz JFBFNXUVDSLLDE-HZSPNIEDSA-N 0 3 263.385 2.010 20 30 CEEDHN Cc1ccc(C#N)cc1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000828958779 636736502 /nfs/dbraw/zinc/73/65/02/636736502.db2.gz JBHORIKGXBOWBY-HOTGVXAUSA-N 0 3 283.375 2.175 20 30 CEEDHN C[C@H](C#N)OCCN1CC[C@H](Oc2ccccc2)C1 ZINC000829100270 636772564 /nfs/dbraw/zinc/77/25/64/636772564.db2.gz AOLFYZMLAXZWHL-HIFRSBDPSA-N 0 3 260.337 2.068 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)c1ccsc1C#N ZINC000906645463 636810418 /nfs/dbraw/zinc/81/04/18/636810418.db2.gz VKSHBRBLMDTFFW-NSHDSACASA-N 0 3 277.393 2.224 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1cc(C)no1 ZINC000876503289 650292705 /nfs/dbraw/zinc/29/27/05/650292705.db2.gz FLUSPMSTFJKJBV-GHMZBOCLSA-N 0 3 283.759 2.116 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)N(CC(C)C)C2CC2)C1 ZINC000829783726 636928795 /nfs/dbraw/zinc/92/87/95/636928795.db2.gz BDYXZUQTLFMIEM-OAHLLOKOSA-N 0 3 276.424 2.369 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000907281957 636982946 /nfs/dbraw/zinc/98/29/46/636982946.db2.gz BQPBFPBNWGFXTD-CYBMUJFWSA-N 0 3 268.360 2.048 20 30 CEEDHN C#CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000830321667 637035183 /nfs/dbraw/zinc/03/51/83/637035183.db2.gz WMGUVFJDWHQEPD-UHFFFAOYSA-N 0 3 274.320 2.319 20 30 CEEDHN C#C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C(C)C ZINC000907965337 637187947 /nfs/dbraw/zinc/18/79/47/637187947.db2.gz DIFAPCOBKZXNBM-CYBMUJFWSA-N 0 3 250.386 2.025 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C)cc1 ZINC000876550757 650321117 /nfs/dbraw/zinc/32/11/17/650321117.db2.gz JWHVDMKBWQMKGX-GFCCVEGCSA-N 0 3 252.745 2.081 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCSc1ccccc1 ZINC000876564201 650331965 /nfs/dbraw/zinc/33/19/65/650331965.db2.gz JQSQKDSZFIUMJK-GFCCVEGCSA-N 0 3 284.812 2.365 20 30 CEEDHN CN1CCN(C(=O)CC2(C#N)CC2)CC12CCCCC2 ZINC000908571977 637414937 /nfs/dbraw/zinc/41/49/37/637414937.db2.gz PQFLRLPTHSVOIT-UHFFFAOYSA-N 0 3 275.396 2.157 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN2CCSC[C@@H]2C2CC2)cc1 ZINC000831773066 637429409 /nfs/dbraw/zinc/42/94/09/637429409.db2.gz HPCZECATGVLLNJ-CVEARBPZSA-N 0 3 288.416 2.419 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000876572421 650337262 /nfs/dbraw/zinc/33/72/62/650337262.db2.gz XKWBEANCOFHQGW-KOLCDFICSA-N 0 3 296.754 2.062 20 30 CEEDHN CC[C@H]1CN(CC)CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000831965263 637471156 /nfs/dbraw/zinc/47/11/56/637471156.db2.gz UYGRVGSAHVWYEA-DLBZAZTESA-N 0 3 287.407 2.008 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccc(OC)cc1 ZINC000876576877 650341310 /nfs/dbraw/zinc/34/13/10/650341310.db2.gz SWARTBCPKBSHHW-GXFFZTMASA-N 0 3 282.771 2.342 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)c1ccc(C)cc1 ZINC000876577228 650341412 /nfs/dbraw/zinc/34/14/12/650341412.db2.gz YXZPAXXMWAYPGM-LBPRGKRZSA-N 0 3 252.745 2.428 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000876613580 650359892 /nfs/dbraw/zinc/35/98/92/650359892.db2.gz RKNZZTVTVXVIHO-OLZOCXBDSA-N 0 3 282.746 2.399 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)C(C1CC1)C1CC1 ZINC000876632807 650361856 /nfs/dbraw/zinc/36/18/56/650361856.db2.gz XPAQCCSYOBCGDM-NSHDSACASA-N 0 3 256.777 2.103 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000876639251 650370526 /nfs/dbraw/zinc/37/05/26/650370526.db2.gz SILOZAHYURFFPC-LBPRGKRZSA-N 0 3 280.755 2.420 20 30 CEEDHN C#CCN(CC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876638885 650371076 /nfs/dbraw/zinc/37/10/76/650371076.db2.gz IMYIURPLBVYRJV-UHFFFAOYSA-N 0 3 272.392 2.103 20 30 CEEDHN C#CCCCCCCN1CCN(c2cccnn2)CC1 ZINC000876665395 650387283 /nfs/dbraw/zinc/38/72/83/650387283.db2.gz WDARWEBYKSLXQX-UHFFFAOYSA-N 0 3 272.396 2.182 20 30 CEEDHN CCC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccncc1 ZINC000834965561 638000891 /nfs/dbraw/zinc/00/08/91/638000891.db2.gz DHJIHTUZBIRNHC-KBPBESRZSA-N 0 3 271.368 2.056 20 30 CEEDHN Nc1ccc2c(c1)CCCC2=NN[C@H]1CCSC1 ZINC000834980326 638009210 /nfs/dbraw/zinc/00/92/10/638009210.db2.gz QWIVJZZDCRITFL-LBPRGKRZSA-N 0 3 261.394 2.404 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)COCC1CCCC1 ZINC000835057241 638042257 /nfs/dbraw/zinc/04/22/57/638042257.db2.gz RYLCSXXOFUWORM-AWEZNQCLSA-N 0 3 294.395 2.208 20 30 CEEDHN N#CC(C(=O)CCCC(=O)C1CC1)C(=O)Nc1ccccc1 ZINC000835063130 638044467 /nfs/dbraw/zinc/04/44/67/638044467.db2.gz HLABLFHTPLWEMZ-CQSZACIVSA-N 0 3 298.342 2.483 20 30 CEEDHN N#CC(C(=O)CSC1CC1)C(=O)NC1CCCCC1 ZINC000835064080 638046132 /nfs/dbraw/zinc/04/61/32/638046132.db2.gz UKGLFKAZTWFNJU-GFCCVEGCSA-N 0 3 280.393 2.040 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000876670708 650391946 /nfs/dbraw/zinc/39/19/46/650391946.db2.gz FSVMUZCMESAFKJ-SNVBAGLBSA-N 0 3 284.791 2.407 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000876674286 650393707 /nfs/dbraw/zinc/39/37/07/650393707.db2.gz GPRKWHRWANNHDV-ZDUSSCGKSA-N 0 3 295.770 2.078 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1cc(C)cc(C)c1 ZINC000876676788 650395090 /nfs/dbraw/zinc/39/50/90/650395090.db2.gz XYAKAZPXOSVNGJ-CQSZACIVSA-N 0 3 280.799 2.432 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C[C@H](O)c1ccccc1 ZINC000876688161 650400176 /nfs/dbraw/zinc/40/01/76/650400176.db2.gz VNWVEMIAQSASRU-XBFCOCLRSA-N 0 3 296.798 2.085 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)N(C)c1ccccc1 ZINC000876723341 650410386 /nfs/dbraw/zinc/41/03/86/650410386.db2.gz UAUPKJLWMQILEK-GXTWGEPZSA-N 0 3 295.814 2.097 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)nc1C ZINC000876729144 650411860 /nfs/dbraw/zinc/41/18/60/650411860.db2.gz FVJBLQPOTJXWFZ-SNVBAGLBSA-N 0 3 253.733 2.107 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)c1ncc(C)s1 ZINC000876745084 650417023 /nfs/dbraw/zinc/41/70/23/650417023.db2.gz ZLLOKRLSSMQMDW-SECBINFHSA-N 0 3 287.816 2.273 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000911935641 638490453 /nfs/dbraw/zinc/49/04/53/638490453.db2.gz XGNAUNDUISXWKM-CQSZACIVSA-N 0 3 278.352 2.326 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000911971426 638505065 /nfs/dbraw/zinc/50/50/65/638505065.db2.gz FSGMLIULSOEBBH-CYBMUJFWSA-N 0 3 290.363 2.404 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)nc(C)n2C ZINC000876773585 650427433 /nfs/dbraw/zinc/42/74/33/650427433.db2.gz AVFTXGXVABVVPI-NSHDSACASA-N 0 3 292.770 2.290 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1nnc(CCC)s1 ZINC000912068671 638547294 /nfs/dbraw/zinc/54/72/94/638547294.db2.gz RKEGRKRJFSFYAJ-SECBINFHSA-N 0 3 268.386 2.113 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000836286535 638591778 /nfs/dbraw/zinc/59/17/78/638591778.db2.gz HGJJXKAMCUHWET-KRWDZBQOSA-N 0 3 299.418 2.237 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NC1(C(=O)OC)CCCCCC1 ZINC000912231429 638616667 /nfs/dbraw/zinc/61/66/67/638616667.db2.gz NWEZBHMVKLUQAD-CYBMUJFWSA-N 0 3 296.411 2.052 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000836488100 638647798 /nfs/dbraw/zinc/64/77/98/638647798.db2.gz LIEPSJNKPJOEHB-HUUCEWRRSA-N 0 3 279.428 2.067 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(F)c(F)c1 ZINC000876850261 650458146 /nfs/dbraw/zinc/45/81/46/650458146.db2.gz MOIIAAVDZNHHJJ-GFCCVEGCSA-N 0 3 288.725 2.093 20 30 CEEDHN C=CC(C)(C)CCCNC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000923966507 639042581 /nfs/dbraw/zinc/04/25/81/639042581.db2.gz ZSEXAXZSZCRCJY-OLZOCXBDSA-N 0 3 267.417 2.371 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(N(C)C)c1C ZINC000876888035 650474787 /nfs/dbraw/zinc/47/47/87/650474787.db2.gz MSYUDYBFBFRHAH-LLVKDONJSA-N 0 3 281.787 2.469 20 30 CEEDHN C[C@H]1CCCN(CCNCc2cc(C#N)cnc2Cl)C1 ZINC000876930776 650490311 /nfs/dbraw/zinc/49/03/11/650490311.db2.gz CTSHSTNKRICTLM-LBPRGKRZSA-N 0 3 292.814 2.428 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1COC ZINC000876591572 639309743 /nfs/dbraw/zinc/30/97/43/639309743.db2.gz LFVYCHRLEZJRQQ-LLVKDONJSA-N 0 3 268.744 2.241 20 30 CEEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000156493218 639358528 /nfs/dbraw/zinc/35/85/28/639358528.db2.gz SJLIRPMTOSZQLD-RYUDHWBXSA-N 0 3 276.361 2.476 20 30 CEEDHN CC[C@@H](SC)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000156493100 639359081 /nfs/dbraw/zinc/35/90/81/639359081.db2.gz SJLIRPMTOSZQLD-VXGBXAGGSA-N 0 3 276.361 2.476 20 30 CEEDHN CN(CCOC(=O)CC1(C#N)CC1)Cc1ccccc1 ZINC000837746675 639373032 /nfs/dbraw/zinc/37/30/32/639373032.db2.gz QQKSISYDHQYHAU-UHFFFAOYSA-N 0 3 272.348 2.355 20 30 CEEDHN C#CCCCCCCN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000876805667 639382488 /nfs/dbraw/zinc/38/24/88/639382488.db2.gz DVDXCKUWQQRGBY-HZPDHXFCSA-N 0 3 265.397 2.450 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000876945606 650499413 /nfs/dbraw/zinc/49/94/13/650499413.db2.gz GEWOJOCJTXKTAB-GARJFASQSA-N 0 3 258.793 2.397 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCOc2c(C)cc(C)cc21 ZINC000876948748 650501285 /nfs/dbraw/zinc/50/12/85/650501285.db2.gz OGIGQMHUTCKMDA-GFCCVEGCSA-N 0 3 294.782 2.499 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000876984035 650518934 /nfs/dbraw/zinc/51/89/34/650518934.db2.gz CXCNIKKSHARRAO-HTQZYQBOSA-N 0 3 285.602 2.156 20 30 CEEDHN CCS[C@@H](C(=O)C(C#N)C(=O)N1CCCC1)C(C)C ZINC000171363596 639716022 /nfs/dbraw/zinc/71/60/22/639716022.db2.gz ULARBYFWJIKUJB-WCQYABFASA-N 0 3 282.409 2.095 20 30 CEEDHN CO[C@@H](C)CCNCc1cc(C#N)cnc1Cl ZINC000876997041 650524998 /nfs/dbraw/zinc/52/49/98/650524998.db2.gz LSMYBOHAZVUCFI-VIFPVBQESA-N 0 3 253.733 2.121 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2cnn(CCC)c2)CC1 ZINC000174121336 639900519 /nfs/dbraw/zinc/90/05/19/639900519.db2.gz RXEMHFKKCCDJAE-UHFFFAOYSA-N 0 3 291.399 2.065 20 30 CEEDHN C#CCCCN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000174273339 639915582 /nfs/dbraw/zinc/91/55/82/639915582.db2.gz LILOWAUUKWMXHK-OAHLLOKOSA-N 0 3 274.339 2.148 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)c3cc[nH]c3C3CC3)CCC[C@H]12 ZINC000992120653 639965559 /nfs/dbraw/zinc/96/55/59/639965559.db2.gz AJDYJEFFULYTNV-MAUKXSAKSA-N 0 3 297.402 2.252 20 30 CEEDHN CC[C@H](OC1CCCC1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000842285116 639997640 /nfs/dbraw/zinc/99/76/40/639997640.db2.gz NBKCSDJEVGFNCC-KGLIPLIRSA-N 0 3 292.379 2.055 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1cccc(C2CC2)c1 ZINC000842288471 639998327 /nfs/dbraw/zinc/99/83/27/639998327.db2.gz ILJDNYOCHZSXBI-OAHLLOKOSA-N 0 3 284.359 2.340 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@H]3CC34CCCC4)CCC[C@H]12 ZINC000992376914 640035818 /nfs/dbraw/zinc/03/58/18/640035818.db2.gz GUQSTEIKLXZJJU-RVKKMQEKSA-N 0 3 286.419 2.313 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)c3cc(C)n(C)c3C)CCC[C@@H]12 ZINC000992467953 640098829 /nfs/dbraw/zinc/09/88/29/640098829.db2.gz WIQLDNIUDFWCKZ-AEFFLSMTSA-N 0 3 299.418 2.002 20 30 CEEDHN Cc1cc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cc(C)c1C#N ZINC000913813768 640115314 /nfs/dbraw/zinc/11/53/14/640115314.db2.gz GHCDKQSJWRVEPH-SJORKVTESA-N 0 3 297.402 2.484 20 30 CEEDHN C#CCN(C(=O)N[C@H](C)c1ccccc1)C1CCN(C)CC1 ZINC000913832297 640125933 /nfs/dbraw/zinc/12/59/33/640125933.db2.gz QEHIMLJDUPRMNE-OAHLLOKOSA-N 0 3 299.418 2.487 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2cccs2)[C@@H]1C ZINC000992983233 640392375 /nfs/dbraw/zinc/39/23/75/640392375.db2.gz OBJPXNJYZZUPIW-DZGCQCFKSA-N 0 3 290.432 2.283 20 30 CEEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccsc2)[C@H]1C ZINC000993008474 640399852 /nfs/dbraw/zinc/39/98/52/640399852.db2.gz BIGJGWIYWLWHQC-OCCSQVGLSA-N 0 3 278.421 2.446 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2oc(C)nc2C)[C@H]1C ZINC000993186219 640522814 /nfs/dbraw/zinc/52/28/14/640522814.db2.gz PEADPKUJAKFIGA-OCCSQVGLSA-N 0 3 291.395 2.450 20 30 CEEDHN Cc1cc(NC(=O)[C@@H](N)CCCC#N)ccc1N(C)C ZINC000844172936 640623050 /nfs/dbraw/zinc/62/30/50/640623050.db2.gz PKMOPAPOZYZUDN-ZDUSSCGKSA-N 0 3 274.368 2.021 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@H]1CCCN(CC)[C@@H]1C ZINC000993449656 640647809 /nfs/dbraw/zinc/64/78/09/640647809.db2.gz SFJKLJGGFJTUKM-KGLIPLIRSA-N 0 3 275.396 2.277 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc[nH]c2C2CC2)[C@@H]1C ZINC000993707592 640668293 /nfs/dbraw/zinc/66/82/93/640668293.db2.gz BBJOLLJKKSVTNH-BBRMVZONSA-N 0 3 299.418 2.498 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C2(C)CC=CC2)[C@H]1C ZINC000993782060 640679234 /nfs/dbraw/zinc/67/92/34/640679234.db2.gz YMVLDKXDSODPHO-CABCVRRESA-N 0 3 274.408 2.335 20 30 CEEDHN CN(C[C@H](O)c1cccc(C#N)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000844370389 640695279 /nfs/dbraw/zinc/69/52/79/640695279.db2.gz GXDZGTLQXNNZKI-KBMXLJTQSA-N 0 3 269.348 2.216 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2oncc2C)[C@H]1C ZINC000994160381 640696412 /nfs/dbraw/zinc/69/64/12/640696412.db2.gz NKBIXWPJEPQAON-OLZOCXBDSA-N 0 3 277.368 2.142 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C2(C)CC(F)(F)C2)[C@H]1C ZINC000994209980 640699623 /nfs/dbraw/zinc/69/96/23/640699623.db2.gz WXCBTBPPBUKZRG-OLZOCXBDSA-N 0 3 298.377 2.414 20 30 CEEDHN C#CCCCNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000845011277 640887792 /nfs/dbraw/zinc/88/77/92/640887792.db2.gz DCGRQGCMKOVHGH-GOSISDBHSA-N 0 3 299.418 2.364 20 30 CEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000845452617 640978117 /nfs/dbraw/zinc/97/81/17/640978117.db2.gz WAAQCKJHNKDZIV-OSRDXIQISA-N 0 3 286.375 2.356 20 30 CEEDHN CCC(C#N)C(=O)NCC(=O)OCc1ccccc1Cl ZINC000845517276 640991930 /nfs/dbraw/zinc/99/19/30/640991930.db2.gz LZDZAHRYILXULV-JTQLQIEISA-N 0 3 294.738 2.049 20 30 CEEDHN CN(C(=O)[C@H](N)CCCC#N)c1cccc2cc[nH]c21 ZINC000877199251 650623078 /nfs/dbraw/zinc/62/30/78/650623078.db2.gz KGPAJZBPDDXLMF-GFCCVEGCSA-N 0 3 270.336 2.152 20 30 CEEDHN Cc1cc(C(=O)OC[C@@H]2CCN2C(C)(C)C)ncc1C#N ZINC000845730564 641060420 /nfs/dbraw/zinc/06/04/20/641060420.db2.gz ONOFLQQZXOTWII-ZDUSSCGKSA-N 0 3 287.363 2.291 20 30 CEEDHN Cc1cc(C#N)cnc1C(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000845729514 641060908 /nfs/dbraw/zinc/06/09/08/641060908.db2.gz POHFMWOSPGIGDV-ZDUSSCGKSA-N 0 3 287.363 2.291 20 30 CEEDHN CC#CCCN1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000155188347 641116814 /nfs/dbraw/zinc/11/68/14/641116814.db2.gz FGQKYANRESFVNS-ZDUSSCGKSA-N 0 3 266.385 2.389 20 30 CEEDHN C#CCCN(C)C[C@H]1CN(CC)c2ccccc2O1 ZINC000920416173 641147685 /nfs/dbraw/zinc/14/76/85/641147685.db2.gz STZQSXTZJIJMRU-AWEZNQCLSA-N 0 3 258.365 2.229 20 30 CEEDHN COCCCNCc1cc(C#N)ccc1Br ZINC000921473393 641289983 /nfs/dbraw/zinc/28/99/83/641289983.db2.gz NQSJRBKTPSLXRE-UHFFFAOYSA-N 0 3 283.169 2.447 20 30 CEEDHN COc1ccc(NC(=O)C2(N)CC3(CCC3)C2)cc1C#N ZINC000877269913 650647808 /nfs/dbraw/zinc/64/78/08/650647808.db2.gz DBXPMXCGUQXTBU-UHFFFAOYSA-N 0 3 285.347 2.167 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cncc(C(F)F)c1 ZINC000877288860 650658842 /nfs/dbraw/zinc/65/88/42/650658842.db2.gz 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C=CCN1CC=C(CNC(=O)[C@H]2CCC[C@@H](OC)C2)CC1 ZINC001001111550 642687906 /nfs/dbraw/zinc/68/79/06/642687906.db2.gz RKNHUAPOGRNLSQ-JKSUJKDBSA-N 0 3 292.423 2.126 20 30 CEEDHN CC#CCN1CCC(CNC(=O)c2oc(C)cc2C)CC1 ZINC001001282299 642706456 /nfs/dbraw/zinc/70/64/56/642706456.db2.gz OUZOXSZVIPCHHZ-UHFFFAOYSA-N 0 3 288.391 2.362 20 30 CEEDHN CC#CCN1CCC(CNC(=O)C2CC(C)(C)C2)CC1 ZINC001001373192 642717808 /nfs/dbraw/zinc/71/78/08/642717808.db2.gz NBHHPCPIYKAWII-UHFFFAOYSA-N 0 3 276.424 2.274 20 30 CEEDHN C=CCN1CC=C(CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1 ZINC001001487089 642727004 /nfs/dbraw/zinc/72/70/04/642727004.db2.gz AXMWLRJUMGAMCQ-OEXSFMSHSA-N 0 3 286.419 2.213 20 30 CEEDHN CC#CCN1CCC(CNC(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC001002006436 642751286 /nfs/dbraw/zinc/75/12/86/642751286.db2.gz UBRDOZUTCIPYSS-DOTOQJQBSA-N 0 3 276.424 2.274 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2cccc(Cl)c2)CC1 ZINC001002071508 642753218 /nfs/dbraw/zinc/75/32/18/642753218.db2.gz YORDQAABFSPGHR-UHFFFAOYSA-N 0 3 290.794 2.415 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2cc(C)c(C)s2)CC1 ZINC001002110484 642754855 /nfs/dbraw/zinc/75/48/55/642754855.db2.gz MIQIMPYRMCMARD-UHFFFAOYSA-N 0 3 290.432 2.440 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2ccc3c(c2)CCC3)CC1 ZINC001002107775 642755335 /nfs/dbraw/zinc/75/53/35/642755335.db2.gz RRGDPRPVHQAOFV-UHFFFAOYSA-N 0 3 296.414 2.250 20 30 CEEDHN C=C(Cl)CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000850761402 642776760 /nfs/dbraw/zinc/77/67/60/642776760.db2.gz LZLYAVFOKASCSM-ZDUSSCGKSA-N 0 3 295.770 2.222 20 30 CEEDHN C=CC[C@H](CO)CNCc1c(Cl)n[nH]c1C1CC1 ZINC000921968063 642816611 /nfs/dbraw/zinc/81/66/11/642816611.db2.gz VQNRSVJLEPOREC-VIFPVBQESA-N 0 3 269.776 2.215 20 30 CEEDHN COC(=O)C1(C#N)CCN(CC2(C)CCCC2)CC1 ZINC000877566384 650792540 /nfs/dbraw/zinc/79/25/40/650792540.db2.gz IEUIISIBWDRIPB-UHFFFAOYSA-N 0 3 264.369 2.345 20 30 CEEDHN C[C@H](Cc1cnn(C)c1)NCc1cc(C#N)cnc1Cl ZINC000877570507 650794112 /nfs/dbraw/zinc/79/41/12/650794112.db2.gz KKVPXYCQEMHPKX-SNVBAGLBSA-N 0 3 289.770 2.061 20 30 CEEDHN Cn1c(=O)ccc2c1CCC[C@H]2NCc1csc(C#N)c1 ZINC000922221119 642966411 /nfs/dbraw/zinc/96/64/11/642966411.db2.gz WSSQGGGNXBPTJI-CQSZACIVSA-N 0 3 299.399 2.486 20 30 CEEDHN C#CC[C@H](CCOC)NCc1nccc2c1CCCC2 ZINC000922299481 643010236 /nfs/dbraw/zinc/01/02/36/643010236.db2.gz PTCYWZHCRPSSQK-OAHLLOKOSA-N 0 3 272.392 2.478 20 30 CEEDHN COC[C@H](NCc1csc(C#N)c1)[C@H]1CCCOC1 ZINC000922341993 643039767 /nfs/dbraw/zinc/03/97/67/643039767.db2.gz BBXGKXKDUGMPPW-JSGCOSHPSA-N 0 3 280.393 2.151 20 30 CEEDHN CCC[C@H](C)[C@@H](CO)NCc1cc(C#N)cnc1Cl ZINC000877611702 650813871 /nfs/dbraw/zinc/81/38/71/650813871.db2.gz YJYLJWGSQWSEEO-GXFFZTMASA-N 0 3 281.787 2.493 20 30 CEEDHN N#C[C@H](c1ccccc1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000851726034 643128492 /nfs/dbraw/zinc/12/84/92/643128492.db2.gz LDTJQLBMWNNGHD-ZWKOTPCHSA-N 0 3 299.418 2.438 20 30 CEEDHN CC1(C)OC[C@@H](CNC2(c3cccc(C#N)c3)CC2)O1 ZINC000851902919 643216955 /nfs/dbraw/zinc/21/69/55/643216955.db2.gz PVIZBCKVECIELM-CQSZACIVSA-N 0 3 272.348 2.288 20 30 CEEDHN C=C1CCC(CNCc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000922709892 643217986 /nfs/dbraw/zinc/21/79/86/643217986.db2.gz FMWZWRROGYCSQQ-HNNXBMFYSA-N 0 3 290.411 2.151 20 30 CEEDHN C#CCN(C(=O)NC[C@@H]1C[C@H]1C(C)C)C1CCN(C)CC1 ZINC000922734476 643237620 /nfs/dbraw/zinc/23/76/20/643237620.db2.gz NTBMWQLKQVTDOH-HOCLYGCPSA-N 0 3 291.439 2.018 20 30 CEEDHN C#CCOCCN1Cc2ccccc2OC(C)(C)C1 ZINC000852054136 643282355 /nfs/dbraw/zinc/28/23/55/643282355.db2.gz QFEGPOKAKUADPO-UHFFFAOYSA-N 0 3 259.349 2.309 20 30 CEEDHN C#C[C@H](NCc1cccc(Cl)c1N)C1CCOCC1 ZINC000877637308 650827667 /nfs/dbraw/zinc/82/76/67/650827667.db2.gz HIAZIYCDKAYFGL-AWEZNQCLSA-N 0 3 278.783 2.440 20 30 CEEDHN C#C[C@@H](N[C@@H](C)c1cnc(C)nc1C)C1CCOCC1 ZINC000877637077 650827926 /nfs/dbraw/zinc/82/79/26/650827926.db2.gz FIDKZYPDCZFTSR-BLLLJJGKSA-N 0 3 273.380 2.172 20 30 CEEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccccc1 ZINC000852098576 643301675 /nfs/dbraw/zinc/30/16/75/643301675.db2.gz QJHOYXGVJJVJMG-WMLDXEAASA-N 0 3 272.392 2.125 20 30 CEEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1OC ZINC000852098821 643301684 /nfs/dbraw/zinc/30/16/84/643301684.db2.gz WXKANOUYNNXWTL-DYVFJYSZSA-N 0 3 288.391 2.091 20 30 CEEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1C ZINC000852098992 643302335 /nfs/dbraw/zinc/30/23/35/643302335.db2.gz ARUCREKNCCHDBN-WMLDXEAASA-N 0 3 272.392 2.391 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)NCc1cccc(OCC)c1 ZINC000852101877 643306463 /nfs/dbraw/zinc/30/64/63/643306463.db2.gz TYNPKNZPOWPBQK-QGZVFWFLSA-N 0 3 288.391 2.093 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)NCCCOC1CCCCC1 ZINC000852103033 643307017 /nfs/dbraw/zinc/30/70/17/643307017.db2.gz WDDHDFRUEMCPKV-QGZVFWFLSA-N 0 3 294.439 2.234 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CCC(=O)O1 ZINC000852192793 643345770 /nfs/dbraw/zinc/34/57/70/643345770.db2.gz UHZHHJOYYDSQSP-BXUZGUMPSA-N 0 3 258.321 2.257 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)C2CC(F)(F)C2)CC1 ZINC001005226041 643395900 /nfs/dbraw/zinc/39/59/00/643395900.db2.gz MNGZAZNHBWFMFO-UHFFFAOYSA-N 0 3 272.339 2.141 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2csnc2C)CC1 ZINC001005275516 643399078 /nfs/dbraw/zinc/39/90/78/643399078.db2.gz PHAXAAWJCGNRKC-UHFFFAOYSA-N 0 3 279.409 2.174 20 30 CEEDHN C#CCC1(NCc2cnc([C@H](C)O)s2)CCC1 ZINC000922997547 643505553 /nfs/dbraw/zinc/50/55/53/643505553.db2.gz KAEQAGIVODMXJZ-JTQLQIEISA-N 0 3 250.367 2.232 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC001005901486 643542778 /nfs/dbraw/zinc/54/27/78/643542778.db2.gz LMHNMJGLIDACNC-ZBFHGGJFSA-N 0 3 294.439 2.300 20 30 CEEDHN C#CCC1(NC(=O)NC[C@@H]2CCN2C(C)(C)C)CCC1 ZINC000923168829 643584967 /nfs/dbraw/zinc/58/49/67/643584967.db2.gz TXDOGDIDCOIGID-ZDUSSCGKSA-N 0 3 277.412 2.104 20 30 CEEDHN C#C[C@@H](NC[C@H](O)c1c(F)cccc1F)C1CCOCC1 ZINC000853115834 643664021 /nfs/dbraw/zinc/66/40/21/643664021.db2.gz MTCROUNXVYGZFL-CABCVRRESA-N 0 3 295.329 2.016 20 30 CEEDHN CCOCCON=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853334815 643745202 /nfs/dbraw/zinc/74/52/02/643745202.db2.gz RWEQEGBODMYWGZ-UHFFFAOYSA-N 0 3 292.379 2.035 20 30 CEEDHN C[C@H]1CCCCN1N=Cc1ccc(N(C)CCO)cc1 ZINC000853378942 643758898 /nfs/dbraw/zinc/75/88/98/643758898.db2.gz LCYUKDNWOFEHFT-AWEZNQCLSA-N 0 3 275.396 2.323 20 30 CEEDHN C[C@@H]1CCCCN1N=Cc1ccc(N(C)CCO)cc1 ZINC000853378944 643759051 /nfs/dbraw/zinc/75/90/51/643759051.db2.gz LCYUKDNWOFEHFT-CQSZACIVSA-N 0 3 275.396 2.323 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2ncccc2Cl)CC1 ZINC001006309138 643809320 /nfs/dbraw/zinc/80/93/20/643809320.db2.gz AUUCYVQVEOLMKX-UHFFFAOYSA-N 0 3 293.798 2.457 20 30 CEEDHN CC[C@@H](C#N)OC(=O)C1CN(C2CCCCC2)C1 ZINC000838463355 643949333 /nfs/dbraw/zinc/94/93/33/643949333.db2.gz BETSFJFVIPTULV-ZDUSSCGKSA-N 0 3 250.342 2.096 20 30 CEEDHN COc1ccc([C@H](CN(C)C)NC(=O)C#CC(C)C)cc1 ZINC000854398042 644049573 /nfs/dbraw/zinc/04/95/73/644049573.db2.gz SMCXUCUZBNZTIL-INIZCTEOSA-N 0 3 288.391 2.074 20 30 CEEDHN C=CCN(C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)C(C)C ZINC000753944687 644299636 /nfs/dbraw/zinc/29/96/36/644299636.db2.gz GVPQXGBEVPCSHJ-CHWSQXEVSA-N 0 3 265.401 2.218 20 30 CEEDHN CCC(C#N)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 ZINC000855298516 644300732 /nfs/dbraw/zinc/30/07/32/644300732.db2.gz AKENOMXDSAVRMP-XJKSGUPXSA-N 0 3 282.347 2.015 20 30 CEEDHN N#Cc1cnc(Cl)c(CNCCC[C@@H]2CCOC2=O)c1 ZINC000877805923 650916175 /nfs/dbraw/zinc/91/61/75/650916175.db2.gz HLICWJDKKDSDAV-LLVKDONJSA-N 0 3 293.754 2.040 20 30 CEEDHN C#CCOc1ccccc1CNCCOc1cccnc1 ZINC000114506830 644698124 /nfs/dbraw/zinc/69/81/24/644698124.db2.gz KDQCGFCIMRAZSD-UHFFFAOYSA-N 0 3 282.343 2.262 20 30 CEEDHN C=CC[C@@H](C)N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000878524158 651120274 /nfs/dbraw/zinc/12/02/74/651120274.db2.gz NVFJBVIDBTZIIG-KGLIPLIRSA-N 0 3 265.401 2.029 20 30 CEEDHN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(N)cc1C ZINC000758120961 644884245 /nfs/dbraw/zinc/88/42/45/644884245.db2.gz XCUHKVWFAZNRSN-GASCZTMLSA-N 0 3 285.395 2.161 20 30 CEEDHN C[C@H](C#N)Oc1ccc(CN[C@H](CO)CC(F)F)cc1 ZINC000758614098 644945179 /nfs/dbraw/zinc/94/51/79/644945179.db2.gz HKKQFEXDOFAPGS-PWSUYJOCSA-N 0 3 284.306 2.083 20 30 CEEDHN C#CC[C@@H](CCOC)NCc1cccc(F)c1F ZINC000858334059 645121677 /nfs/dbraw/zinc/12/16/77/645121677.db2.gz RELPRVNRYQNQSU-LBPRGKRZSA-N 0 3 253.292 2.483 20 30 CEEDHN C#CCCOc1ccc(CN[C@H](CC#C)COC)cc1 ZINC000858334656 645121890 /nfs/dbraw/zinc/12/18/90/645121890.db2.gz FHABGVVZSIBWMG-MRXNPFEDSA-N 0 3 271.360 2.217 20 30 CEEDHN CCN(C)[C@@H](C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000760345743 645144263 /nfs/dbraw/zinc/14/42/63/645144263.db2.gz NEHJQHUZFPEFMM-GOEBONIOSA-N 0 3 294.358 2.346 20 30 CEEDHN C=CC[C@H](C)N1CCN(c2cc(OC)ccn2)CC1 ZINC000878058197 650986572 /nfs/dbraw/zinc/98/65/72/650986572.db2.gz YBLHMLLEVMKRGN-ZDUSSCGKSA-N 0 3 261.369 2.177 20 30 CEEDHN C[C@H]1CC(N=Nc2ccnc3ccccc23)CN1C ZINC000761810397 645318682 /nfs/dbraw/zinc/31/86/82/645318682.db2.gz RUZDHSBDNILQIC-NSHDSACASA-N 0 3 254.337 2.149 20 30 CEEDHN CC1=CCN(CCNC(=O)/C=C\c2ccccc2C#N)CC1 ZINC000762703052 645439453 /nfs/dbraw/zinc/43/94/53/645439453.db2.gz BVCYNMKZIIOWED-SREVYHEPSA-N 0 3 295.386 2.340 20 30 CEEDHN CC(C)c1csc(C(C#N)C(=O)c2cc[n+]([O-])cc2)n1 ZINC000763277195 645526735 /nfs/dbraw/zinc/52/67/35/645526735.db2.gz SAXNTAXWEIVNQJ-LLVKDONJSA-N 0 3 287.344 2.390 20 30 CEEDHN C[C@H](C#N)OCCN1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000859611295 645537319 /nfs/dbraw/zinc/53/73/19/645537319.db2.gz CJOOAYDGCJGYCR-MCIONIFRSA-N 0 3 296.411 2.215 20 30 CEEDHN CC(C)(C)c1nc(C#N)c(N=NC2CCN3CCC[C@@H]23)o1 ZINC000765573323 645785840 /nfs/dbraw/zinc/78/58/40/645785840.db2.gz YKQDYUIZHVHCRO-LBPRGKRZSA-N 0 3 287.367 2.480 20 30 CEEDHN COc1cccc(NC(=O)C(C#N)C(=O)C23CC(C2)C3)c1 ZINC000860468891 645799178 /nfs/dbraw/zinc/79/91/78/645799178.db2.gz NKOWNGWPBSLDRC-XNVJVGRKSA-N 0 3 284.315 2.143 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)C12CC(C1)C2 ZINC000860470676 645799834 /nfs/dbraw/zinc/79/98/34/645799834.db2.gz TUJPVKJDNQYHCW-WBFHCKIUSA-N 0 3 254.289 2.134 20 30 CEEDHN CO[C@H]1C[C@@H](CN2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000878252371 651045634 /nfs/dbraw/zinc/04/56/34/651045634.db2.gz JWWUOKQOHXHCBN-BPQIPLTHSA-N 0 3 299.418 2.294 20 30 CEEDHN C=CC[C@@H](C)N1CCN(C2=NC[C@H](C)S2)CC1 ZINC000878263767 651048063 /nfs/dbraw/zinc/04/80/63/651048063.db2.gz UQOPMLYAQWTRCG-NEPJUHHUSA-N 0 3 253.415 2.060 20 30 CEEDHN C#CCC(C)(C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000767043710 645948352 /nfs/dbraw/zinc/94/83/52/645948352.db2.gz GGPRATIOEAEELY-MRXNPFEDSA-N 0 3 286.419 2.325 20 30 CEEDHN C[C@@H]1CC(=Nn2cnnc2)CN(Cc2ccccc2)C1 ZINC000767352164 645979080 /nfs/dbraw/zinc/97/90/80/645979080.db2.gz PAKCYELYXXSJGK-CYBMUJFWSA-N 0 3 269.352 2.024 20 30 CEEDHN C=C(C)C(C)(C)C(=O)OC[C@]1(C)C[C@H](OC)CN1C ZINC000861355609 646146828 /nfs/dbraw/zinc/14/68/28/646146828.db2.gz CYMGQOFBQBLTQL-WFASDCNBSA-N 0 3 269.385 2.241 20 30 CEEDHN Cc1ccc(N2CC[C@H](N[C@H]3CC[C@@H](C#N)C3)C2=O)cc1 ZINC000769847676 646325998 /nfs/dbraw/zinc/32/59/98/646325998.db2.gz XQOKKFYPCNNWCU-YCPHGPKFSA-N 0 3 283.375 2.382 20 30 CEEDHN Cc1ccc(N2CC[C@H](N[C@@H]3CC[C@H](C#N)C3)C2=O)cc1 ZINC000769847674 646326183 /nfs/dbraw/zinc/32/61/83/646326183.db2.gz XQOKKFYPCNNWCU-LZWOXQAQSA-N 0 3 283.375 2.382 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000769941990 646337908 /nfs/dbraw/zinc/33/79/08/646337908.db2.gz FURRFOTZUJXGJO-UKRRQHHQSA-N 0 3 254.333 2.480 20 30 CEEDHN C#C[C@H](C)N(C)CCOc1ccc(C(=O)OC)cc1Cl ZINC000769977323 646341496 /nfs/dbraw/zinc/34/14/96/646341496.db2.gz GJWIODOXTIGMKI-NSHDSACASA-N 0 3 295.766 2.459 20 30 CEEDHN C#C[C@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000769977285 646341545 /nfs/dbraw/zinc/34/15/45/646341545.db2.gz DLYSDYPHDPJOBO-RYUDHWBXSA-N 0 3 297.383 2.426 20 30 CEEDHN C#CC[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000862575461 646512368 /nfs/dbraw/zinc/51/23/68/646512368.db2.gz WBUOKDSBPFCXTQ-CZUORRHYSA-N 0 3 280.387 2.071 20 30 CEEDHN N#Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCCCC2)o1 ZINC000862630532 646531825 /nfs/dbraw/zinc/53/18/25/646531825.db2.gz ZCTIVWPQEUFNLL-ZDUSSCGKSA-N 0 3 287.363 2.288 20 30 CEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)Cc1ccco1 ZINC000772643659 646653492 /nfs/dbraw/zinc/65/34/92/646653492.db2.gz CDSQBMCBOMEILK-LBPRGKRZSA-N 0 3 298.298 2.178 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(C)(C)C)cc1 ZINC000864069071 646883084 /nfs/dbraw/zinc/88/30/84/646883084.db2.gz XPUIJKKVXZAFBA-HNNXBMFYSA-N 0 3 270.376 2.271 20 30 CEEDHN C=CCCC[C@@H](C)NC(=S)NC1CCN(C)CC1 ZINC000776205399 647036154 /nfs/dbraw/zinc/03/61/54/647036154.db2.gz XYFNGOYBNZXQHH-GFCCVEGCSA-N 0 3 269.458 2.290 20 30 CEEDHN C[C@@H]1CCN(Cc2ccccc2)CC1=Nn1cnnc1 ZINC000776176703 647032516 /nfs/dbraw/zinc/03/25/16/647032516.db2.gz DBMLRBXTSNHPGM-CYBMUJFWSA-N 0 3 269.352 2.024 20 30 CEEDHN N#CCc1ccsc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000865124194 647183754 /nfs/dbraw/zinc/18/37/54/647183754.db2.gz DLDACQCPFWXYNZ-ZDUSSCGKSA-N 0 3 289.404 2.124 20 30 CEEDHN C=CCNC(=S)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000865258534 647220788 /nfs/dbraw/zinc/22/07/88/647220788.db2.gz ZRYUDICVQMTNTN-OAHLLOKOSA-N 0 3 289.448 2.219 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000865615518 647388231 /nfs/dbraw/zinc/38/82/31/647388231.db2.gz ABTAJYCTXSBKJU-FMKPAKJESA-N 0 3 271.364 2.034 20 30 CEEDHN C=CC(C)(C)CCNCc1cn(C[C@@H]2CCCO2)nn1 ZINC000865638646 647400746 /nfs/dbraw/zinc/40/07/46/647400746.db2.gz IEOIVMUNIPZCCJ-AWEZNQCLSA-N 0 3 278.400 2.149 20 30 CEEDHN N#Cc1csc(CNC[C@H]2CCC23CCOCC3)n1 ZINC000865777218 647460610 /nfs/dbraw/zinc/46/06/10/647460610.db2.gz CLERCKXRLYDENX-LLVKDONJSA-N 0 3 277.393 2.311 20 30 CEEDHN Cn1ncc(Cl)c1CN[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000865849111 647493059 /nfs/dbraw/zinc/49/30/59/647493059.db2.gz YCRWYKLOBXURSG-CYBMUJFWSA-N 0 3 286.766 2.202 20 30 CEEDHN C=CCN(C(=O)N[C@H](C)C1=CCN(C)CC1)C(C)C ZINC000781395885 647524054 /nfs/dbraw/zinc/52/40/54/647524054.db2.gz YUJLUJMGHQJLAO-CYBMUJFWSA-N 0 3 265.401 2.243 20 30 CEEDHN N#CCCCCCC(=O)OCCN1CCCCC1 ZINC000805695718 647551629 /nfs/dbraw/zinc/55/16/29/647551629.db2.gz FTXKFPDAVNCKHY-UHFFFAOYSA-N 0 3 252.358 2.490 20 30 CEEDHN CC[C@H](C)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786569623 648027958 /nfs/dbraw/zinc/02/79/58/648027958.db2.gz LDKYKMZXLUDZGI-ONGXEEELSA-N 0 3 294.301 2.336 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC[C@@H]2CCCS2)CC1 ZINC000868284014 648089347 /nfs/dbraw/zinc/08/93/47/648089347.db2.gz NPJJWDGNENOXAS-AWEZNQCLSA-N 0 3 297.468 2.222 20 30 CEEDHN N#CCCNC(=O)CN1CCCC2(CCCCC2)CC1 ZINC000787337589 648100960 /nfs/dbraw/zinc/10/09/60/648100960.db2.gz SOIKOVQGTDFNSO-UHFFFAOYSA-N 0 3 277.412 2.453 20 30 CEEDHN C[C@@H]1C[C@H](C(C)(C)C)CCN1CC(=O)NCCC#N ZINC000805839256 648111261 /nfs/dbraw/zinc/11/12/61/648111261.db2.gz PAGZWATYZSDZQH-CHWSQXEVSA-N 0 3 265.401 2.163 20 30 CEEDHN C[C@H](OC(=O)C1CCN(C2CC2)CC1)C(C)(C)C#N ZINC000805901450 648332411 /nfs/dbraw/zinc/33/24/11/648332411.db2.gz LKEUOWGYWGHNCV-NSHDSACASA-N 0 3 264.369 2.342 20 30 CEEDHN COC(=O)C(C)(C)CCNCc1cc(C#N)ccc1F ZINC000793000837 648696308 /nfs/dbraw/zinc/69/63/08/648696308.db2.gz JLIBWRBFSVZIMN-UHFFFAOYSA-N 0 3 278.327 2.376 20 30 CEEDHN C=CCCCNCc1cn(Cc2ccc(OC)cc2)nn1 ZINC000873117698 649561172 /nfs/dbraw/zinc/56/11/72/649561172.db2.gz YFUANVILYJVLIA-UHFFFAOYSA-N 0 3 286.379 2.391 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874829536 649843987 /nfs/dbraw/zinc/84/39/87/649843987.db2.gz MAYBZILERJTJJQ-UMVBOHGHSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CC[C@@H](C)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000878463190 651103761 /nfs/dbraw/zinc/10/37/61/651103761.db2.gz VSDWCWFOMLONCF-GFCCVEGCSA-N 0 3 260.385 2.374 20 30 CEEDHN N#CC[C@@]1(O)CCN(CC[C@H]2CCCC2(F)F)C1 ZINC000878761151 651181052 /nfs/dbraw/zinc/18/10/52/651181052.db2.gz HFWJXXHTGUBWGY-VXGBXAGGSA-N 0 3 258.312 2.162 20 30 CEEDHN COC(=O)C[C@](C)(NCC#Cc1ccccc1)C1CC1 ZINC000879441877 651304595 /nfs/dbraw/zinc/30/45/95/651304595.db2.gz IAWBXGIEZDKZNO-KRWDZBQOSA-N 0 3 271.360 2.360 20 30 CEEDHN C[C@@H]1CCCN1CCNC(=O)c1sccc1CC#N ZINC000879537195 651318192 /nfs/dbraw/zinc/31/81/92/651318192.db2.gz VGUKXBFJKWBCGR-LLVKDONJSA-N 0 3 277.393 2.028 20 30 CEEDHN C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653499 651335959 /nfs/dbraw/zinc/33/59/59/651335959.db2.gz QPGQRJAGPNKUIZ-ZDUSSCGKSA-N 0 3 274.364 2.243 20 30 CEEDHN CN(CCc1cccc(C#N)c1)C(=O)CN(C)C1CCC1 ZINC000881431030 651720392 /nfs/dbraw/zinc/72/03/92/651720392.db2.gz PFSSLCOCEDTUHD-UHFFFAOYSA-N 0 3 285.391 2.043 20 30 CEEDHN Cc1ccsc1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC(C)C ZINC000129445578 651970865 /nfs/dbraw/zinc/97/08/65/651970865.db2.gz DBBRPGOEIKLVRQ-IJLUTSLNSA-N 0 3 290.388 2.394 20 30 CEEDHN C#CC[C@H](CO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000883124849 652370254 /nfs/dbraw/zinc/37/02/54/652370254.db2.gz RTHQTRZBDHWQOH-GFCCVEGCSA-N 0 3 282.265 2.051 20 30 CEEDHN C=CCC[C@@H](NCc1cc(C)ncn1)[C@H]1CCCO1 ZINC000883209090 652400795 /nfs/dbraw/zinc/40/07/95/652400795.db2.gz VGVFBLAIPAWWOM-HUUCEWRRSA-N 0 3 261.369 2.388 20 30 CEEDHN CCOc1ccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1 ZINC000884044668 652655125 /nfs/dbraw/zinc/65/51/25/652655125.db2.gz QHLXCNPWXHPMDU-JZLYGMAVSA-N 0 3 299.374 2.163 20 30 CEEDHN CC(C)C[C@@H]1CCCN1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884080199 652698624 /nfs/dbraw/zinc/69/86/24/652698624.db2.gz NZSROPNIANWUJA-DGNOSDGRSA-N 0 3 289.423 2.163 20 30 CEEDHN CC(C)N(C(=O)C1CC2(C1)CNC[C@H]2C#N)C1CCCC1 ZINC000884086256 652701941 /nfs/dbraw/zinc/70/19/41/652701941.db2.gz SKFNTQZSLIMHQC-XOYHFGRZSA-N 0 3 289.423 2.305 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)[C@H](N)CC1CC1 ZINC000884105499 652709882 /nfs/dbraw/zinc/70/98/82/652709882.db2.gz QMCVYNZPCAWGMS-MRXNPFEDSA-N 0 3 272.392 2.371 20 30 CEEDHN C[C@@H]1CC[C@H](NC(=O)C2CC3(C2)CNC[C@@H]3C#N)[C@@H](C)C1 ZINC000884137913 652723449 /nfs/dbraw/zinc/72/34/49/652723449.db2.gz YRMMTPRIDKESKA-YZSGFCRKSA-N 0 3 289.423 2.067 20 30 CEEDHN C[C@H]1c2ccccc2CN1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884143474 652726688 /nfs/dbraw/zinc/72/66/88/652726688.db2.gz ISHXPJYBIATLCL-MNSPSGFLSA-N 0 3 295.386 2.229 20 30 CEEDHN CCC[C@H]1CCCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)C1 ZINC000884157961 652734161 /nfs/dbraw/zinc/73/41/61/652734161.db2.gz ONKQGZBIQUYHGR-UJEKJILKSA-N 0 3 289.423 2.164 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)c2[nH]c3ccccc3c2C#N)CCN1 ZINC000884266925 652773357 /nfs/dbraw/zinc/77/33/57/652773357.db2.gz NBBPKSLVNBVWHL-OAHLLOKOSA-N 0 3 296.374 2.110 20 30 CEEDHN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884383780 652826848 /nfs/dbraw/zinc/82/68/48/652826848.db2.gz UPHPMECPULEFPB-LHYMLEISSA-N 0 3 289.423 2.067 20 30 CEEDHN C=C1CCC(C(=O)NC[C@H]2CCN2C2CCOCC2)CC1 ZINC000885896181 653065082 /nfs/dbraw/zinc/06/50/82/653065082.db2.gz WCDKSFIRTVHNSH-MRXNPFEDSA-N 0 3 292.423 2.102 20 30 CEEDHN Cc1nc(N2CCN(CC(C)C)CC2)ccc1C#N ZINC000291576247 719335184 /nfs/dbraw/zinc/33/51/84/719335184.db2.gz FMEDQLVSWSCIPO-UHFFFAOYSA-N 0 3 258.369 2.040 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2snnc2C)[C@H]1CC ZINC001087499989 805590558 /nfs/dbraw/zinc/59/05/58/805590558.db2.gz VIMUKBHSHWACTI-NWDGAFQWSA-N 0 3 294.424 2.005 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C2(c3ccccn3)CC2)[C@H]1CC ZINC001087571150 805752474 /nfs/dbraw/zinc/75/24/74/805752474.db2.gz FSYLBORRDIEFGU-LSDHHAIUSA-N 0 3 299.418 2.268 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cncc(CC)c2)[C@H]1CC ZINC001087660048 805768261 /nfs/dbraw/zinc/76/82/61/805768261.db2.gz PJGNMQHGDHZNFZ-JKSUJKDBSA-N 0 3 287.407 2.413 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(C)C)n[nH]2)[C@H]1CC ZINC001087734152 805783641 /nfs/dbraw/zinc/78/36/41/805783641.db2.gz PJQTXFKYFBRZSU-SWLSCSKDSA-N 0 3 290.411 2.302 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(CC)on2)[C@H]1CC ZINC001087799753 805799561 /nfs/dbraw/zinc/79/95/61/805799561.db2.gz MOFINCXWEXTYOG-DZGCQCFKSA-N 0 3 291.395 2.396 20 30 CEEDHN C=CCCC(=O)N1CC[C@@H](NCc2nccs2)[C@H](C)C1 ZINC001271378404 805921852 /nfs/dbraw/zinc/92/18/52/805921852.db2.gz ZZPAUVPKWZTPTF-CHWSQXEVSA-N 0 3 293.436 2.436 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)C3CCC=CCC3)C[C@@H]2C1 ZINC001088203831 805969652 /nfs/dbraw/zinc/96/96/52/805969652.db2.gz VLLZTBZCCQWCDK-SJORKVTESA-N 0 3 286.419 2.146 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)SC ZINC001272015011 806274786 /nfs/dbraw/zinc/27/47/86/806274786.db2.gz FXABGGFFRPXLLL-QLFBSQMISA-N 0 3 294.464 2.217 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc2[nH]ncc21 ZINC001272080736 806465019 /nfs/dbraw/zinc/46/50/19/806465019.db2.gz ROGPKXYLRGRHGN-UHFFFAOYSA-N 0 3 286.379 2.143 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1cccc(F)c1F ZINC001272093480 806509798 /nfs/dbraw/zinc/50/97/98/806509798.db2.gz RDGKLBLKWOOESE-UHFFFAOYSA-N 0 3 268.307 2.155 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC13CCCC3)C2 ZINC001098155620 806550991 /nfs/dbraw/zinc/55/09/91/806550991.db2.gz ROUUCYCPUBEBRE-QXSJWSMHSA-N 0 3 286.419 2.312 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cncc(C)c2)[C@H]1C ZINC001088772206 806713396 /nfs/dbraw/zinc/71/33/96/806713396.db2.gz PTBXYUWBLZSJGS-ZBFHGGJFSA-N 0 3 287.407 2.088 20 30 CEEDHN O=C(C#CC1CC1)NCCNCc1ccc(Cl)c(F)c1 ZINC001126899422 806766595 /nfs/dbraw/zinc/76/65/95/806766595.db2.gz QRJGTNYBBBVGAD-UHFFFAOYSA-N 0 3 294.757 2.098 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)C3Cc4ccccc4C3)[C@@H]2C1 ZINC001076280993 806833147 /nfs/dbraw/zinc/83/31/47/806833147.db2.gz QOKSJKPDNSMLQO-FUHWJXTLSA-N 0 3 296.414 2.120 20 30 CEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001076924933 806884728 /nfs/dbraw/zinc/88/47/28/806884728.db2.gz MHPLJJFBHXUBTG-HZPDHXFCSA-N 0 3 292.423 2.004 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001039012807 802343717 /nfs/dbraw/zinc/34/37/17/802343717.db2.gz OQWFPLJNSHPNAC-OAHLLOKOSA-N 0 3 289.423 2.412 20 30 CEEDHN C#CCCN(C)CCNC(=O)c1csc(Cl)c1 ZINC001266332751 802451798 /nfs/dbraw/zinc/45/17/98/802451798.db2.gz YCRUSGNDMHFTQZ-UHFFFAOYSA-N 0 3 270.785 2.086 20 30 CEEDHN Cc1cc(C#N)cc(C#N)c1NC1=CCN(C)CC1 ZINC001208855534 802422816 /nfs/dbraw/zinc/42/28/16/802422816.db2.gz BXOOANMRTVZNJM-UHFFFAOYSA-N 0 3 252.321 2.370 20 30 CEEDHN C=C1CCC(C(=O)NCCN(C)C[C@@H]2CCCCO2)CC1 ZINC001266321931 802436933 /nfs/dbraw/zinc/43/69/33/802436933.db2.gz ZXUGCWGNCMKGSU-INIZCTEOSA-N 0 3 294.439 2.350 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)[C@@H](C)c1ccsc1 ZINC001266323444 802438713 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ZINC001041639151 802632627 /nfs/dbraw/zinc/63/26/27/802632627.db2.gz TUZZAZBPOQOVIO-VMBOVVBDSA-N 0 3 292.398 2.072 20 30 CEEDHN C#CCN(CCC)CCNC(=O)C[C@H]1CC[C@H](C)C1 ZINC001266568536 802724752 /nfs/dbraw/zinc/72/47/52/802724752.db2.gz NXNRLKPDSDJBHY-GJZGRUSLSA-N 0 3 264.413 2.274 20 30 CEEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)C#CC2CC2)C1 ZINC001039221041 802726437 /nfs/dbraw/zinc/72/64/37/802726437.db2.gz IRLWELXTVMHZET-ZWKOTPCHSA-N 0 3 298.430 2.126 20 30 CEEDHN CCOC(=O)[C@H]1CCCCN(Cc2cc(C#N)n(C)c2)C1 ZINC001207108523 802778534 /nfs/dbraw/zinc/77/85/34/802778534.db2.gz FBWPCOVQRKFMAQ-AWEZNQCLSA-N 0 3 289.379 2.062 20 30 CEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)C1=CCCC1 ZINC001266673429 802833549 /nfs/dbraw/zinc/83/35/49/802833549.db2.gz NKXMZLDPOMBVIF-UHFFFAOYSA-N 0 3 283.375 2.217 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001046444387 811755957 /nfs/dbraw/zinc/75/59/57/811755957.db2.gz RLUQRTUYYVSENT-QGZVFWFLSA-N 0 3 298.390 2.252 20 30 CEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)C1=CCCC1 ZINC001266839838 802934777 /nfs/dbraw/zinc/93/47/77/802934777.db2.gz JEUGXJWFMLVJEL-MRXNPFEDSA-N 0 3 292.423 2.270 20 30 CEEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1(CF)CCC1 ZINC001266856420 802947687 /nfs/dbraw/zinc/94/76/87/802947687.db2.gz QRHAAIDKNBHMIU-AWEZNQCLSA-N 0 3 280.387 2.120 20 30 CEEDHN CC#CCN[C@@H](C)CNC(=O)CCCc1ccsc1 ZINC001266946632 803015220 /nfs/dbraw/zinc/01/52/20/803015220.db2.gz RQLFJHZKYZGGBB-ZDUSSCGKSA-N 0 3 278.421 2.188 20 30 CEEDHN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1cnc(C)cn1 ZINC001133885245 813169308 /nfs/dbraw/zinc/16/93/08/813169308.db2.gz YCDKEUDMYJXPBB-QWHCGFSZSA-N 0 3 290.411 2.124 20 30 CEEDHN C#CCN1CC[C@H]2CCN(C(=O)CC3=CCCCC3)C[C@@H]21 ZINC001041979346 803164571 /nfs/dbraw/zinc/16/45/71/803164571.db2.gz VNAREMDJTMQWBE-IRXDYDNUSA-N 0 3 286.419 2.433 20 30 CEEDHN CC(C)=CCN(C)CCNC(=O)C#CC(C)(C)C ZINC001267193770 803215948 /nfs/dbraw/zinc/21/59/48/803215948.db2.gz COCXMSAPRPKWMZ-UHFFFAOYSA-N 0 3 250.386 2.050 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)C[C@H]1CCCC1(F)F ZINC001267213833 803237200 /nfs/dbraw/zinc/23/72/00/803237200.db2.gz VWBZICJQPDBSTM-GFCCVEGCSA-N 0 3 274.355 2.436 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)CC1CCC1 ZINC001267311966 803355678 /nfs/dbraw/zinc/35/56/78/803355678.db2.gz LBXWKGYMPIXTLM-UHFFFAOYSA-N 0 3 250.386 2.028 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)CC(F)(F)C(F)F ZINC001267317878 803361854 /nfs/dbraw/zinc/36/18/54/803361854.db2.gz NKVBYOCEACOSGX-UHFFFAOYSA-N 0 3 296.308 2.128 20 30 CEEDHN CCCCCCCCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405454408 803374933 /nfs/dbraw/zinc/37/49/33/803374933.db2.gz HGLDAEFTVPITBD-LSDHHAIUSA-N 0 3 282.428 2.014 20 30 CEEDHN Cc1cc(C(=O)N(C)CCNCc2cccc(C#N)c2)co1 ZINC001267365599 803411659 /nfs/dbraw/zinc/41/16/59/803411659.db2.gz DFENIPAPSYWLDU-UHFFFAOYSA-N 0 3 297.358 2.322 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H]2CCCCO2)C1 ZINC001267453427 803469427 /nfs/dbraw/zinc/46/94/27/803469427.db2.gz BZVOAWXJJNBNOQ-JKSUJKDBSA-N 0 3 294.439 2.445 20 30 CEEDHN N#Cc1csc(CN[C@H]2CCCSCC2)n1 ZINC000692483469 803501463 /nfs/dbraw/zinc/50/14/63/803501463.db2.gz BKPZGGXHEBKRAM-VIFPVBQESA-N 0 3 253.396 2.390 20 30 CEEDHN C=CCCC(=O)NCC[C@H]1CCN(Cc2cc(C)no2)C1 ZINC001267507065 803516628 /nfs/dbraw/zinc/51/66/28/803516628.db2.gz AOGJRBJIPGFOLF-AWEZNQCLSA-N 0 3 291.395 2.277 20 30 CEEDHN C=C(C)CN[C@H](CNC(=O)[C@@H](C)OC)c1ccccc1 ZINC001267517548 803521435 /nfs/dbraw/zinc/52/14/35/803521435.db2.gz QHBIJZJIADHPOL-UKRRQHHQSA-N 0 3 276.380 2.045 20 30 CEEDHN C=C(C)CCC(=O)N(CCC)[C@H]1CCN(CCCO)C1 ZINC001267542530 803537986 /nfs/dbraw/zinc/53/79/86/803537986.db2.gz YNTSJVVCUJASFV-HNNXBMFYSA-N 0 3 282.428 2.038 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001038046399 803554905 /nfs/dbraw/zinc/55/49/05/803554905.db2.gz UNLYQFTVNHQYSK-CABCVRRESA-N 0 3 262.397 2.499 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(CCCOC)C1 ZINC001267629844 803631997 /nfs/dbraw/zinc/63/19/97/803631997.db2.gz NCDIVXGXYPPENN-HOCLYGCPSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCC[C@@H](C)N1CC(CNC(=O)C(=O)C(C)(C)C)C1 ZINC001267678220 803653420 /nfs/dbraw/zinc/65/34/20/803653420.db2.gz BXABXVXWJTWDJU-GFCCVEGCSA-N 0 3 280.412 2.004 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](CN(C)CCF)C1 ZINC001267681487 803655877 /nfs/dbraw/zinc/65/58/77/803655877.db2.gz AHCQNOYDBFGMPB-HIFRSBDPSA-N 0 3 270.392 2.339 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)COC2CCCCC2)C1 ZINC001267768867 803721157 /nfs/dbraw/zinc/72/11/57/803721157.db2.gz RBTDAORQJNELOE-OAHLLOKOSA-N 0 3 294.439 2.445 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)CCC(C)C)C1 ZINC001267780382 803729897 /nfs/dbraw/zinc/72/98/97/803729897.db2.gz NGFVMLPTKBZDTG-HNNXBMFYSA-N 0 3 264.413 2.369 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001027418327 804065676 /nfs/dbraw/zinc/06/56/76/804065676.db2.gz YBHIZWGLBROLHU-LTIDMASMSA-N 0 3 286.419 2.145 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c[nH]c3ccccc32)C1 ZINC001027483189 804086382 /nfs/dbraw/zinc/08/63/82/804086382.db2.gz LUHPWWSHWBYEER-CQSZACIVSA-N 0 3 295.386 2.338 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2c(C)cc(C)nc2C)C1 ZINC001027501100 804093327 /nfs/dbraw/zinc/09/33/27/804093327.db2.gz RPMOCMQSWRCJFL-INIZCTEOSA-N 0 3 299.418 2.176 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)c2ccccc2)C1 ZINC001027655738 804179985 /nfs/dbraw/zinc/17/99/85/804179985.db2.gz BIJLCYRUKCOIRG-WBVHZDCISA-N 0 3 284.403 2.346 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC001027721192 804220102 /nfs/dbraw/zinc/22/01/02/804220102.db2.gz FELGMFDFWWAPBV-AWEZNQCLSA-N 0 3 262.328 2.206 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1occc1C ZINC001027754363 804239139 /nfs/dbraw/zinc/23/91/39/804239139.db2.gz DMBGCIANMMKBKV-ZDUSSCGKSA-N 0 3 262.353 2.358 20 30 CEEDHN C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001027758987 804241322 /nfs/dbraw/zinc/24/13/22/804241322.db2.gz HDFZJLZOWRXWPO-CYBMUJFWSA-N 0 3 274.364 2.163 20 30 CEEDHN C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001027758987 804241329 /nfs/dbraw/zinc/24/13/29/804241329.db2.gz HDFZJLZOWRXWPO-CYBMUJFWSA-N 0 3 274.364 2.163 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001038796037 804265141 /nfs/dbraw/zinc/26/51/41/804265141.db2.gz AGYQYQQYEJYPHG-PMPSAXMXSA-N 0 3 292.423 2.124 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001027826180 804279587 /nfs/dbraw/zinc/27/95/87/804279587.db2.gz LOHBDGQZNFKUTK-QWHCGFSZSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001027831049 804281410 /nfs/dbraw/zinc/28/14/10/804281410.db2.gz LOHBDGQZNFKUTK-OLZOCXBDSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1c(C)ccn1C ZINC001027845752 804295934 /nfs/dbraw/zinc/29/59/34/804295934.db2.gz DRUCAYFFBSMWNE-AWEZNQCLSA-N 0 3 275.396 2.104 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001027889187 804321131 /nfs/dbraw/zinc/32/11/31/804321131.db2.gz MSIXHNHWRREWKE-JYJNAYRXSA-N 0 3 294.439 2.204 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1CC(F)(F)C1 ZINC001038151044 804354373 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ZINC001033766769 809411252 /nfs/dbraw/zinc/41/12/52/809411252.db2.gz OBFSEHMVAOBSID-LBPRGKRZSA-N 0 3 294.424 2.041 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccnn2CC)C1 ZINC001033809765 809422112 /nfs/dbraw/zinc/42/21/12/809422112.db2.gz HAFKVLNPDPWEOZ-CQSZACIVSA-N 0 3 290.411 2.016 20 30 CEEDHN CC#CCNCCNC(=O)c1cncc(-c2ccccc2)c1 ZINC001128779782 809450546 /nfs/dbraw/zinc/45/05/46/809450546.db2.gz YZGIWFKFDHULMQ-UHFFFAOYSA-N 0 3 293.370 2.091 20 30 CEEDHN C#Cc1ccc(C(=O)N(CC)[C@@H]2CCN(CC(=C)C)C2)cn1 ZINC001034023213 809485143 /nfs/dbraw/zinc/48/51/43/809485143.db2.gz OQMGNCXDWJZGKL-QGZVFWFLSA-N 0 3 297.402 2.175 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171820 809540883 /nfs/dbraw/zinc/54/08/83/809540883.db2.gz ZYZCTAXYJHEANA-CQSZACIVSA-N 0 3 286.379 2.047 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001034255870 809562662 /nfs/dbraw/zinc/56/26/62/809562662.db2.gz DYKRCRYVSMULCH-PMPSAXMXSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cccc(CC)n2)C1 ZINC001034244786 809563648 /nfs/dbraw/zinc/56/36/48/809563648.db2.gz GQWPPZDCQMAVMU-MRXNPFEDSA-N 0 3 299.418 2.252 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001034307122 809575047 /nfs/dbraw/zinc/57/50/47/809575047.db2.gz SKWZFROFCIWWDE-CABCVRRESA-N 0 3 294.439 2.348 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCCN(CC=C)C2)cc1 ZINC001034341251 809584884 /nfs/dbraw/zinc/58/48/84/809584884.db2.gz ULZFRBIVEKBQKB-QGZVFWFLSA-N 0 3 282.387 2.438 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC001034415895 809604400 /nfs/dbraw/zinc/60/44/00/809604400.db2.gz LAFJRPWAJZKJEG-CQSZACIVSA-N 0 3 275.396 2.402 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001034416848 809605012 /nfs/dbraw/zinc/60/50/12/809605012.db2.gz LKUTXNUUNNGOCG-UONOGXRCSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3nccn3c2)C1 ZINC001034489353 809619546 /nfs/dbraw/zinc/61/95/46/809619546.db2.gz YKQOHUOIDBEKDF-HNNXBMFYSA-N 0 3 298.390 2.105 20 30 CEEDHN CC(=O)N1CCC[C@H]([C@@H](C)NCc2ccccc2C#N)C1 ZINC001036323180 809887411 /nfs/dbraw/zinc/88/74/11/809887411.db2.gz HGDLMIXGHSJDNW-DYVFJYSZSA-N 0 3 285.391 2.295 20 30 CEEDHN CCC(=O)N1CC[C@H]2[C@@H](CCN2Cc2ccccc2C#N)C1 ZINC001036609249 809963329 /nfs/dbraw/zinc/96/33/29/809963329.db2.gz XPUZPNVPRQHXJU-IRXDYDNUSA-N 0 3 297.402 2.391 20 30 CEEDHN CCC(=O)N1CC[C@H]2[C@H](CCN2Cc2ccccc2C#N)C1 ZINC001036609250 809963570 /nfs/dbraw/zinc/96/35/70/809963570.db2.gz XPUZPNVPRQHXJU-SJORKVTESA-N 0 3 297.402 2.391 20 30 CEEDHN C#CCNC1(CNC(=O)[C@@H](CCC)C(C)C)CCC1 ZINC001273161936 810068966 /nfs/dbraw/zinc/06/89/66/810068966.db2.gz PIRUHICFPXPETL-AWEZNQCLSA-N 0 3 264.413 2.320 20 30 CEEDHN C=C[C@H](COC)NCCC(=O)Nc1cccc(F)c1C ZINC001118155214 810077886 /nfs/dbraw/zinc/07/78/86/810077886.db2.gz FUZUAXVZVUWDKX-GFCCVEGCSA-N 0 3 280.343 2.253 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001079418917 810208944 /nfs/dbraw/zinc/20/89/44/810208944.db2.gz VKRHRUGZEMXOLW-ZWNOBZJWSA-N 0 3 281.787 2.294 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(C)cncc2C)C1 ZINC001080125442 810250067 /nfs/dbraw/zinc/25/00/67/810250067.db2.gz STVKAMWCWAXGGS-HUUCEWRRSA-N 0 3 287.407 2.325 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(OC)c2)C1 ZINC001080836526 810310267 /nfs/dbraw/zinc/31/02/67/810310267.db2.gz MBOMPSOACHNTSM-CZUORRHYSA-N 0 3 288.391 2.321 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NC[C@H](C)Oc1ccccc1 ZINC001121847936 815360237 /nfs/dbraw/zinc/36/02/37/815360237.db2.gz DNODPHFXVJLJGR-ZFWWWQNUSA-N 0 3 276.380 2.254 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001080880767 810316913 /nfs/dbraw/zinc/31/69/13/810316913.db2.gz UXMYEZHVCREDCI-CZUORRHYSA-N 0 3 272.392 2.485 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC001015628979 810317363 /nfs/dbraw/zinc/31/73/63/810317363.db2.gz ORWZBUBDDJNIDG-CYBMUJFWSA-N 0 3 294.345 2.274 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001015646637 810323075 /nfs/dbraw/zinc/32/30/75/810323075.db2.gz RULJZUHENSSZDA-QGZVFWFLSA-N 0 3 284.403 2.060 20 30 CEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCCNCc1cnc(C)o1 ZINC001164221937 810326658 /nfs/dbraw/zinc/32/66/58/810326658.db2.gz GWEHGSMOQWPOOR-VXGBXAGGSA-N 0 3 279.384 2.037 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001015736341 810342451 /nfs/dbraw/zinc/34/24/51/810342451.db2.gz FPGFUGFHZMXROW-MGPQQGTHSA-N 0 3 274.364 2.150 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001015747965 810345768 /nfs/dbraw/zinc/34/57/68/810345768.db2.gz IPGURLQQBQBCST-KRWDZBQOSA-N 0 3 284.403 2.168 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001015869594 810366897 /nfs/dbraw/zinc/36/68/97/810366897.db2.gz YEHLHZJARMVHJQ-KGLIPLIRSA-N 0 3 288.366 2.143 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2(C)CC(=C)C2)[C@H](OC)C1 ZINC001082112051 810368105 /nfs/dbraw/zinc/36/81/05/810368105.db2.gz QTFYKFNPSCMOSY-HUUCEWRRSA-N 0 3 292.423 2.124 20 30 CEEDHN CCNC(=O)[C@@H]1CCCN1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172313141 815365755 /nfs/dbraw/zinc/36/57/55/815365755.db2.gz PUFULPUCSQZCNW-CJNGLKHVSA-N 0 3 285.391 2.090 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001015987522 810384261 /nfs/dbraw/zinc/38/42/61/810384261.db2.gz KVDOROCVBBOJAR-KBPBESRZSA-N 0 3 290.432 2.374 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001016094762 810400713 /nfs/dbraw/zinc/40/07/13/810400713.db2.gz ATNPZUSUVPDGKL-HNNXBMFYSA-N 0 3 270.376 2.131 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001016375851 810431021 /nfs/dbraw/zinc/43/10/21/810431021.db2.gz PBACLKQIZGAFOY-ZTYXSZCMSA-N 0 3 274.408 2.045 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C(C)=C2CCCC2)CC1 ZINC001016563525 810453407 /nfs/dbraw/zinc/45/34/07/810453407.db2.gz ICFLMOKKFOZLEZ-MRXNPFEDSA-N 0 3 286.419 2.481 20 30 CEEDHN CN1CCC[C@H]2CN(C(=O)Nc3cccc(C#N)c3)C[C@H]21 ZINC001202786873 810459732 /nfs/dbraw/zinc/45/97/32/810459732.db2.gz JICAHJYSZCDAQN-DZGCQCFKSA-N 0 3 284.363 2.116 20 30 CEEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(CC)C[C@H]21 ZINC001084372339 810464497 /nfs/dbraw/zinc/46/44/97/810464497.db2.gz QMWFVPKNPOPKGD-VXGBXAGGSA-N 0 3 270.804 2.318 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C2(C)CCC2)CC1 ZINC001016770101 810466728 /nfs/dbraw/zinc/46/67/28/810466728.db2.gz FCGXWQMDFNCDDE-CQSZACIVSA-N 0 3 274.408 2.171 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C2(C)CCC2)CC1 ZINC001016770100 810466902 /nfs/dbraw/zinc/46/69/02/810466902.db2.gz FCGXWQMDFNCDDE-AWEZNQCLSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C2(F)CCCCC2)CC1 ZINC001016915452 810477211 /nfs/dbraw/zinc/47/72/11/810477211.db2.gz YOKOOYWBLDXBFH-AWEZNQCLSA-N 0 3 292.398 2.263 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(C[C@H](C)OC)C[C@H]21 ZINC001084573929 810479234 /nfs/dbraw/zinc/47/92/34/810479234.db2.gz HYKNMMJSRDZRHH-RRFJBIMHSA-N 0 3 294.439 2.156 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccco1 ZINC001017348872 810513327 /nfs/dbraw/zinc/51/33/27/810513327.db2.gz FDZKPCSSVDAFRN-GASCZTMLSA-N 0 3 288.391 2.464 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCOCC1 ZINC001017511567 810529943 /nfs/dbraw/zinc/52/99/43/810529943.db2.gz KIHFKKZFYZNFMW-HRCADAONSA-N 0 3 292.423 2.054 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)CCC2CCC2)C1 ZINC001276369704 810604689 /nfs/dbraw/zinc/60/46/89/810604689.db2.gz RFCDTBYEPSQBMM-ZDUSSCGKSA-N 0 3 262.397 2.027 20 30 CEEDHN CC#CCNCCN(CC)C(=O)c1ccc(Cl)o1 ZINC001273267311 810609581 /nfs/dbraw/zinc/60/95/81/810609581.db2.gz MJWPJAARSRNVBS-UHFFFAOYSA-N 0 3 268.744 2.008 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CCc2c(CC#N)cccc2C1 ZINC001122096014 815383802 /nfs/dbraw/zinc/38/38/02/815383802.db2.gz NBZITPHSEHZPPZ-QGZVFWFLSA-N 0 3 297.402 2.321 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1ccn(C)n1 ZINC001172295451 815386928 /nfs/dbraw/zinc/38/69/28/815386928.db2.gz RUNZGZJYQVJBRL-LBPRGKRZSA-N 0 3 254.337 2.013 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H]1CCc2ccccc21 ZINC000115905009 810667389 /nfs/dbraw/zinc/66/73/89/810667389.db2.gz YETFBWADAJACNO-HIFRSBDPSA-N 0 3 284.359 2.340 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C2(CC)CCC(F)(F)CC2)C1 ZINC001019055877 810673775 /nfs/dbraw/zinc/67/37/75/810673775.db2.gz AZYDYJSPVBBFIS-ZDUSSCGKSA-N 0 3 298.377 2.416 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC001019065246 810674504 /nfs/dbraw/zinc/67/45/04/810674504.db2.gz DDIYQXDDXRHMRC-LBPRGKRZSA-N 0 3 299.349 2.053 20 30 CEEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@@H]1CC=CCC1 ZINC001154615351 810697533 /nfs/dbraw/zinc/69/75/33/810697533.db2.gz QROSVTWBDSCXFZ-HUUCEWRRSA-N 0 3 262.397 2.193 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)CC2CCCCCC2)C1 ZINC001019439490 810710175 /nfs/dbraw/zinc/71/01/75/810710175.db2.gz NGNKQIBXHOIFBJ-HNNXBMFYSA-N 0 3 262.397 2.171 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001019547825 810718678 /nfs/dbraw/zinc/71/86/78/810718678.db2.gz YLBGDXJWISAAQG-INIZCTEOSA-N 0 3 284.403 2.421 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C2(C3CCCCC3)CC2)C1 ZINC001019708711 810732126 /nfs/dbraw/zinc/73/21/26/810732126.db2.gz OXMZCAAHIMCFLG-HNNXBMFYSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC001019759517 810738150 /nfs/dbraw/zinc/73/81/50/810738150.db2.gz SFANQFMETLQGFO-HNNXBMFYSA-N 0 3 295.386 2.222 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001020079830 810767683 /nfs/dbraw/zinc/76/76/83/810767683.db2.gz IULITFJMMIXTRN-DCAQKATOSA-N 0 3 256.777 2.022 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001020122565 810769167 /nfs/dbraw/zinc/76/91/67/810769167.db2.gz NPIPQMKHQUVAFE-HAQNSBGRSA-N 0 3 270.804 2.412 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccco1 ZINC001085457559 810769198 /nfs/dbraw/zinc/76/91/98/810769198.db2.gz NBYRQMKNKVSPKG-CYBMUJFWSA-N 0 3 262.353 2.392 20 30 CEEDHN C=C1CCC(CNC(=O)c2cc3n(n2)CCC[C@@H]3N)CC1 ZINC001122271100 815397782 /nfs/dbraw/zinc/39/77/82/815397782.db2.gz SQQHHOHLBHMBOR-ZDUSSCGKSA-N 0 3 288.395 2.153 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001038254979 810815250 /nfs/dbraw/zinc/81/52/50/810815250.db2.gz TVNVKOFGCXDNRC-OAHLLOKOSA-N 0 3 298.390 2.023 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C ZINC001085539109 810816766 /nfs/dbraw/zinc/81/67/66/810816766.db2.gz OHXALMQMDHKRFY-ZDUSSCGKSA-N 0 3 261.369 2.046 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccn(C)c1 ZINC001085548670 810819414 /nfs/dbraw/zinc/81/94/14/810819414.db2.gz APHFPMHUMVDSHV-HNNXBMFYSA-N 0 3 275.396 2.138 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1coc(CC)n1 ZINC001085555159 810821891 /nfs/dbraw/zinc/82/18/91/810821891.db2.gz NBHMIHQVZAYCGT-ZDUSSCGKSA-N 0 3 291.395 2.350 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1c(F)cccc1OC ZINC001122356947 815404595 /nfs/dbraw/zinc/40/45/95/815404595.db2.gz YLFZMZQIANUXOO-ZDUSSCGKSA-N 0 3 280.343 2.134 20 30 CEEDHN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(C)C)cc1 ZINC001085757764 810902340 /nfs/dbraw/zinc/90/23/40/810902340.db2.gz QTPUDDDBNQLBFF-INIZCTEOSA-N 0 3 270.376 2.223 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1C[C@@H]1C ZINC001085769832 810904922 /nfs/dbraw/zinc/90/49/22/810904922.db2.gz RSKFKBGIYYLGKP-IHRRRGAJSA-N 0 3 250.386 2.141 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCC(=C)C ZINC001085827673 810931150 /nfs/dbraw/zinc/93/11/50/810931150.db2.gz ZECNEQRFLONSEY-XHSDSOJGSA-N 0 3 292.423 2.076 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC001038902288 810941455 /nfs/dbraw/zinc/94/14/55/810941455.db2.gz FEBBAALAPXFTBU-ZDUSSCGKSA-N 0 3 290.411 2.222 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001038902288 810941457 /nfs/dbraw/zinc/94/14/57/810941457.db2.gz FEBBAALAPXFTBU-ZDUSSCGKSA-N 0 3 290.411 2.222 20 30 CEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CCC ZINC001085864581 810948968 /nfs/dbraw/zinc/94/89/68/810948968.db2.gz DZALNJKTLXYZDI-PMPSAXMXSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnn(C(C)C)c1 ZINC001085920742 810968716 /nfs/dbraw/zinc/96/87/16/810968716.db2.gz JSOXCBVGUNBQJB-OAHLLOKOSA-N 0 3 290.411 2.186 20 30 CEEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CC)C1 ZINC001039187076 810995909 /nfs/dbraw/zinc/99/59/09/810995909.db2.gz DZOBZJOAKZKOTP-GJZGRUSLSA-N 0 3 262.397 2.123 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001086064190 811021759 /nfs/dbraw/zinc/02/17/59/811021759.db2.gz WRTDBZFDAWFLCY-TUAOUCFPSA-N 0 3 270.804 2.269 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)C=CCC1 ZINC001039417805 811025586 /nfs/dbraw/zinc/02/55/86/811025586.db2.gz YNVMZAMPXLQLCX-SOLBZPMBSA-N 0 3 286.419 2.431 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001086221612 811066215 /nfs/dbraw/zinc/06/62/15/811066215.db2.gz BKOOJKBLHBYQFM-AHLTXXRQSA-N 0 3 282.815 2.269 20 30 CEEDHN CCOCC[C@H](C)N1CCN(c2cccc(C#N)c2)CC1 ZINC001172428168 815418684 /nfs/dbraw/zinc/41/86/84/815418684.db2.gz YTSLVBQCXRPJDZ-HNNXBMFYSA-N 0 3 287.407 2.495 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C3CC(C)C3)C2)C1 ZINC001040151383 811092812 /nfs/dbraw/zinc/09/28/12/811092812.db2.gz AWWGQQSIXQSOCJ-HTWSVDAQSA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCCC(=O)NCCCNCc1ncc(C)s1 ZINC001155587147 811097637 /nfs/dbraw/zinc/09/76/37/811097637.db2.gz ZDLGPFXKZREGBZ-UHFFFAOYSA-N 0 3 267.398 2.014 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)C3(C)CC=CC3)C2)CC1 ZINC001040833436 811126427 /nfs/dbraw/zinc/12/64/27/811126427.db2.gz UMIPLLCLMIWBHH-UHFFFAOYSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)[C@@H]3CC[C@H](F)C3)C2)CC1 ZINC001040820675 811126439 /nfs/dbraw/zinc/12/64/39/811126439.db2.gz UNJFAXGWQIGTMS-CABCVRRESA-N 0 3 292.398 2.072 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC2(F)F)C1 ZINC001086398225 811128616 /nfs/dbraw/zinc/12/86/16/811128616.db2.gz XXHVPEWSCIFITJ-DCAQKATOSA-N 0 3 292.757 2.269 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cc(C)co2)C1 ZINC001086454048 811148055 /nfs/dbraw/zinc/14/80/55/811148055.db2.gz PNQHLVOHVCJFQG-HAQNSBGRSA-N 0 3 282.771 2.439 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3sccc3F)C2)C1 ZINC001041254550 811155907 /nfs/dbraw/zinc/15/59/07/811155907.db2.gz GEIVOOMPOUAIPH-OAHLLOKOSA-N 0 3 292.379 2.058 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001086490341 811163257 /nfs/dbraw/zinc/16/32/57/811163257.db2.gz NDQLOXAFUAITPU-SRVKXCTJSA-N 0 3 268.788 2.023 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@]34C[C@H]3CCC4)C2)C1 ZINC001041497007 811169323 /nfs/dbraw/zinc/16/93/23/811169323.db2.gz SXRQEPXPXILMQH-KBAYOESNSA-N 0 3 286.419 2.124 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)C[C@@H]3CC=CCC3)C2)C1 ZINC001041553674 811174603 /nfs/dbraw/zinc/17/46/03/811174603.db2.gz NQLFEXKVOHXYDO-SJLPKXTDSA-N 0 3 286.419 2.290 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)c3cc(C)co3)C2)C1 ZINC001041578298 811177297 /nfs/dbraw/zinc/17/72/97/811177297.db2.gz ALONMLSKJAVEOA-QGZVFWFLSA-N 0 3 286.375 2.149 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCC3(C)C)C2)C1 ZINC001041576282 811177969 /nfs/dbraw/zinc/17/79/69/811177969.db2.gz GRCWSWQIJYENTF-MAUKXSAKSA-N 0 3 288.435 2.370 20 30 CEEDHN Cc1cc(CN)nn1C(F)(F)c1nc(Cl)ccc1C#N ZINC001156038517 811178558 /nfs/dbraw/zinc/17/85/58/811178558.db2.gz AJODFXGCKSDHRH-UHFFFAOYSA-N 0 3 297.696 2.168 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3cc[nH]c3C3CC3)C2)C1 ZINC001041606547 811180050 /nfs/dbraw/zinc/18/00/50/811180050.db2.gz RMBORGKVPSZYDF-GOSISDBHSA-N 0 3 297.402 2.063 20 30 CEEDHN C=CCN1CC[C@@]2(CCN(C(=O)c3cc(Cl)no3)C2)C1 ZINC001041796900 811192058 /nfs/dbraw/zinc/19/20/58/811192058.db2.gz DCMMBNVRWCAXGX-CQSZACIVSA-N 0 3 295.770 2.052 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)Cc3ccccc3C)C2)C1 ZINC001041821678 811195335 /nfs/dbraw/zinc/19/53/35/811195335.db2.gz LBNKVCAVKBGYAM-IBGZPJMESA-N 0 3 296.414 2.095 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)C(C)(CC)CC)C2)C1 ZINC001041840202 811197920 /nfs/dbraw/zinc/19/79/20/811197920.db2.gz VJEKLHAWSQFQNQ-QGZVFWFLSA-N 0 3 276.424 2.370 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)/C=C/c3ccco3)C[C@H]21 ZINC001041910025 811212964 /nfs/dbraw/zinc/21/29/64/811212964.db2.gz LTUGPIQVMTWOJJ-RUBBHVMPSA-N 0 3 298.386 2.239 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C(CC)CC)C[C@H]21 ZINC001041950242 811222645 /nfs/dbraw/zinc/22/26/45/811222645.db2.gz OZJMKQXMLPRLGX-HZPDHXFCSA-N 0 3 276.424 2.369 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3CC(F)(F)C3)C[C@H]21 ZINC001042004896 811230132 /nfs/dbraw/zinc/23/01/32/811230132.db2.gz DLUOCKHRIAFETQ-DGCLKSJQSA-N 0 3 284.350 2.141 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C(C)=C3CCC3)C[C@H]21 ZINC001042058721 811239669 /nfs/dbraw/zinc/23/96/69/811239669.db2.gz VBWUUHPAFRGSNY-IAGOWNOFSA-N 0 3 286.419 2.433 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@@H]21 ZINC001042198732 811253349 /nfs/dbraw/zinc/25/33/49/811253349.db2.gz MUNBKPAJZUPPMZ-OWYFMNJBSA-N 0 3 274.408 2.141 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3(C)CCC3)C[C@@H]21 ZINC001042190118 811254912 /nfs/dbraw/zinc/25/49/12/811254912.db2.gz LLSIWWZFDYARHO-CABCVRRESA-N 0 3 274.408 2.123 20 30 CEEDHN C#CC1(N[C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168824190 811258887 /nfs/dbraw/zinc/25/88/87/811258887.db2.gz NINASBXETJEWPY-RYUDHWBXSA-N 0 3 264.369 2.140 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccnc(C)c3)C[C@@H]21 ZINC001042277113 811263862 /nfs/dbraw/zinc/26/38/62/811263862.db2.gz MHBXHEIBVMRWBB-ZBFHGGJFSA-N 0 3 285.391 2.112 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc4c([nH]3)CCC4)C[C@H]21 ZINC001042308964 811267487 /nfs/dbraw/zinc/26/74/87/811267487.db2.gz ICZFKZHMTMSGEZ-SUMWQHHRSA-N 0 3 299.418 2.226 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc4c([nH]3)CCC4)C[C@@H]21 ZINC001042308962 811268600 /nfs/dbraw/zinc/26/86/00/811268600.db2.gz ICZFKZHMTMSGEZ-DYVFJYSZSA-N 0 3 299.418 2.226 20 30 CEEDHN COC(=O)c1ccc(C(=O)C(C#N)c2cccc(F)n2)cc1 ZINC001122715067 815437973 /nfs/dbraw/zinc/43/79/73/815437973.db2.gz WDPKLHLJUBGYHU-GFCCVEGCSA-N 0 3 298.273 2.497 20 30 CEEDHN N#Cc1cccc(CNCCNC(=O)/C=C/c2ccco2)c1 ZINC001122734098 815441099 /nfs/dbraw/zinc/44/10/99/815441099.db2.gz BQHSXPFVJMXCKL-VOTSOKGWSA-N 0 3 295.342 2.070 20 30 CEEDHN C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1[O-] ZINC001169236489 811454752 /nfs/dbraw/zinc/45/47/52/811454752.db2.gz JPBDQGLARYMDIW-AWEZNQCLSA-N 0 3 288.391 2.294 20 30 CEEDHN CC(C)Oc1cc(CN[C@H](C)CCCC#N)ncn1 ZINC001172492986 815452946 /nfs/dbraw/zinc/45/29/46/815452946.db2.gz QLNMDKXYKYIPQE-GFCCVEGCSA-N 0 3 262.357 2.436 20 30 CEEDHN CCOC(=O)[C@H]1CN([C@H](C)CCCC#N)CCS1 ZINC001172507991 815457477 /nfs/dbraw/zinc/45/74/77/815457477.db2.gz ANZBXQOCEDJUNV-VXGBXAGGSA-N 0 3 270.398 2.049 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2CCC2(F)F)CC1 ZINC001045473504 811615997 /nfs/dbraw/zinc/61/59/97/811615997.db2.gz IFVPKBNVUBGUDV-GFCCVEGCSA-N 0 3 284.350 2.026 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cncc(CC)c2)CC1 ZINC001045505041 811618867 /nfs/dbraw/zinc/61/88/67/811618867.db2.gz SUAXPYXMYFBPRL-UHFFFAOYSA-N 0 3 287.407 2.414 20 30 CEEDHN C=CCCC(=O)N[C@@H](C)CCCCNCc1cnns1 ZINC001169705353 811633823 /nfs/dbraw/zinc/63/38/23/811633823.db2.gz JRVFGVMJVIFIOV-LBPRGKRZSA-N 0 3 296.440 2.269 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2c[nH]c3ncccc23)CC1 ZINC001045643213 811634905 /nfs/dbraw/zinc/63/49/05/811634905.db2.gz DZWAWVGVRRTXLH-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CCCC[C@@H]2OC)CC1 ZINC001045651685 811637508 /nfs/dbraw/zinc/63/75/08/811637508.db2.gz VHOCCOMGAGSORL-GJZGRUSLSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CC[C@@H](Nc1cncc(CN(CC)CC)c1)C(=O)OC ZINC001169841769 811684631 /nfs/dbraw/zinc/68/46/31/811684631.db2.gz OHSODIGVOYKVAN-OAHLLOKOSA-N 0 3 291.395 2.453 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)C2CCCCC2)C1 ZINC001046110061 811687515 /nfs/dbraw/zinc/68/75/15/811687515.db2.gz XKMHYFRBKAPZCT-MRXNPFEDSA-N 0 3 262.397 2.171 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cccc(C)n2)C1 ZINC001046156317 811697711 /nfs/dbraw/zinc/69/77/11/811697711.db2.gz VHWKMKORVJXFAW-INIZCTEOSA-N 0 3 273.380 2.160 20 30 CEEDHN N#CC1(CN[C@@H]2CCCC3(C2)OCCO3)CCCC1 ZINC001169902281 811705919 /nfs/dbraw/zinc/70/59/19/811705919.db2.gz OOTQGMANXMZCLG-CYBMUJFWSA-N 0 3 264.369 2.346 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2c(C)coc2C)C1 ZINC001046290995 811729291 /nfs/dbraw/zinc/72/92/91/811729291.db2.gz UJIDMRLVGYISMW-MRXNPFEDSA-N 0 3 274.364 2.114 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CCN(CC(=C)C)C1 ZINC001046327674 811736861 /nfs/dbraw/zinc/73/68/61/811736861.db2.gz PHFKVGUHSZPBNP-HLLBOEOZSA-N 0 3 292.423 2.124 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C/c1ccco1)C2 ZINC001108880714 811786239 /nfs/dbraw/zinc/78/62/39/811786239.db2.gz KLFJFTBRDDDFAG-RBMOSLEESA-N 0 3 284.359 2.038 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001046642448 811790905 /nfs/dbraw/zinc/79/09/05/811790905.db2.gz IXUAVXHLLMQYNP-IOASZLSFSA-N 0 3 274.364 2.150 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccn(C(C)C)n2)C1 ZINC001046670784 811797063 /nfs/dbraw/zinc/79/70/63/811797063.db2.gz JPDZNJOEECZRMK-INIZCTEOSA-N 0 3 290.411 2.234 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2oc(CC)cc2C)C1 ZINC001046775107 811814909 /nfs/dbraw/zinc/81/49/09/811814909.db2.gz YPJZKTALVLGGKU-QGZVFWFLSA-N 0 3 288.391 2.368 20 30 CEEDHN CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1C#N)C2 ZINC001046998566 811847173 /nfs/dbraw/zinc/84/71/73/811847173.db2.gz PDTJUYPBBKSDSY-JQFCIGGWSA-N 0 3 283.375 2.047 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(F)F)CC1)C2 ZINC001109288431 811855189 /nfs/dbraw/zinc/85/51/89/811855189.db2.gz XSQFPCKPFFLPEA-WOPDTQHZSA-N 0 3 284.350 2.329 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC(=C)C)C2 ZINC001109632724 811919669 /nfs/dbraw/zinc/91/96/69/811919669.db2.gz ADBSUZNVQCUXQN-FZKCQIBNSA-N 0 3 274.408 2.334 20 30 CEEDHN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC ZINC001109634242 811919701 /nfs/dbraw/zinc/91/97/01/811919701.db2.gz IAZDEXLSFMLCRX-FZKCQIBNSA-N 0 3 294.439 2.347 20 30 CEEDHN CC(C)CCC(=O)NCCNCc1ccc(C#N)s1 ZINC001123228059 815490689 /nfs/dbraw/zinc/49/06/89/815490689.db2.gz JGRMZQXLEUVGQE-UHFFFAOYSA-N 0 3 279.409 2.262 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(C)sc3C)C[C@@H]2C1 ZINC001048922668 812041799 /nfs/dbraw/zinc/04/17/99/812041799.db2.gz ATVYTORBFHONKJ-OKILXGFUSA-N 0 3 288.416 2.002 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@H]2CN(C[C@H](F)CC)C[C@H]2C1 ZINC001048982735 812047607 /nfs/dbraw/zinc/04/76/07/812047607.db2.gz YKNWSPIQGWJBMP-HZSPNIEDSA-N 0 3 282.403 2.337 20 30 CEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC[C@H]2CCOC2)CC1 ZINC001112759144 812057192 /nfs/dbraw/zinc/05/71/92/812057192.db2.gz FNPINTAKPFLAJB-CVEARBPZSA-N 0 3 294.439 2.302 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H]3CCCC[C@@H]3C)C[C@@H]2C1 ZINC001049013288 812057379 /nfs/dbraw/zinc/05/73/79/812057379.db2.gz GYVSUVSIJXOIPC-NXOAAHMSSA-N 0 3 288.435 2.226 20 30 CEEDHN CC(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1ccc(C#N)cc1 ZINC001049258471 812095438 /nfs/dbraw/zinc/09/54/38/812095438.db2.gz JHSJTYRSVPZZAH-IRXDYDNUSA-N 0 3 283.375 2.143 20 30 CEEDHN C=C(C)CCC(=O)N1CCN(C[C@H]2CCO[C@H](C)C2)CC1 ZINC001112901922 812104851 /nfs/dbraw/zinc/10/48/51/812104851.db2.gz BFOKTUGJVZSWBY-CVEARBPZSA-N 0 3 294.439 2.302 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)C[C@H]2C=CCC2)cc1 ZINC001123322658 815502956 /nfs/dbraw/zinc/50/29/56/815502956.db2.gz JBGJDQQPGGCNTA-AWEZNQCLSA-N 0 3 283.375 2.120 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C)n1 ZINC001049331846 812121129 /nfs/dbraw/zinc/12/11/29/812121129.db2.gz OGKIKQRQZBVRFS-CVEARBPZSA-N 0 3 285.391 2.255 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC(F)(F)C1 ZINC001049405452 812138427 /nfs/dbraw/zinc/13/84/27/812138427.db2.gz ITLLVAPZSGCVMJ-STQMWFEESA-N 0 3 284.350 2.283 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)/C(C)=C/C ZINC001049409586 812140543 /nfs/dbraw/zinc/14/05/43/812140543.db2.gz BFTQCSYPDVLSTO-YDYWWVRFSA-N 0 3 260.381 2.041 20 30 CEEDHN C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)SC ZINC001049423799 812142886 /nfs/dbraw/zinc/14/28/86/812142886.db2.gz WJWRWOVGEUUSHW-RBSFLKMASA-N 0 3 294.464 2.217 20 30 CEEDHN C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)SC ZINC001049423800 812143040 /nfs/dbraw/zinc/14/30/40/812143040.db2.gz WJWRWOVGEUUSHW-RRFJBIMHSA-N 0 3 294.464 2.217 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1ccc(C)o1 ZINC001049430118 812145214 /nfs/dbraw/zinc/14/52/14/812145214.db2.gz AWFJBQAEBJBGFE-HZPDHXFCSA-N 0 3 288.391 2.382 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc[nH]c1CC ZINC001049455015 812150319 /nfs/dbraw/zinc/15/03/19/812150319.db2.gz WGEMDIRNPQTOFR-HOTGVXAUSA-N 0 3 287.407 2.442 20 30 CEEDHN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1ccc(C)cc1 ZINC001049579586 812169810 /nfs/dbraw/zinc/16/98/10/812169810.db2.gz LXBPWDHWPIODOY-ROUUACIJSA-N 0 3 296.414 2.236 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn(C)c1C ZINC001049704473 812194768 /nfs/dbraw/zinc/19/47/68/812194768.db2.gz PXDGNQCESRAFFP-DLBZAZTESA-N 0 3 299.418 2.036 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn(C)c1C ZINC001049712712 812197094 /nfs/dbraw/zinc/19/70/94/812197094.db2.gz UQIJCSZVOGIIMT-HOTGVXAUSA-N 0 3 287.407 2.198 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C(C)(F)F ZINC001049729369 812199808 /nfs/dbraw/zinc/19/98/08/812199808.db2.gz VKSGFFUPHAHKCU-BFHYXJOUSA-N 0 3 298.377 2.366 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC12CCC2 ZINC001049756746 812205235 /nfs/dbraw/zinc/20/52/35/812205235.db2.gz XBTUOZZPMCKZKK-SOUVJXGZSA-N 0 3 274.408 2.428 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001049777219 812207184 /nfs/dbraw/zinc/20/71/84/812207184.db2.gz OYVXKQPSLQOTKH-JJXSEGSLSA-N 0 3 274.408 2.284 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1nc(C)oc1C ZINC001049813168 812213629 /nfs/dbraw/zinc/21/36/29/812213629.db2.gz XIJQANLKDBNQBL-KGLIPLIRSA-N 0 3 289.379 2.156 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C ZINC001049856145 812220084 /nfs/dbraw/zinc/22/00/84/812220084.db2.gz CLCDFNJUPWIUTR-OLZOCXBDSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scnc1C)C2 ZINC001096838541 812288928 /nfs/dbraw/zinc/28/89/28/812288928.db2.gz MOBOKELABXPDQV-UPJWGTAASA-N 0 3 291.420 2.363 20 30 CEEDHN CN1CC(CNc2ccc(C#C[Si](C)(C)C)cn2)C1 ZINC001170250208 812369617 /nfs/dbraw/zinc/36/96/17/812369617.db2.gz ZVLQCYOQFCFGAP-UHFFFAOYSA-N 0 3 273.456 2.284 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CCCC ZINC001113911406 812426725 /nfs/dbraw/zinc/42/67/25/812426725.db2.gz STVMIRKJBBMQEC-KBXIAJHMSA-N 0 3 264.413 2.435 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)c2cc[nH]c2C2CC2)CC1 ZINC001052664085 812443085 /nfs/dbraw/zinc/44/30/85/812443085.db2.gz GBVBYRHVZCYUPI-HNNXBMFYSA-N 0 3 299.418 2.500 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H](C)c2ccco2)CC1 ZINC001052705816 812449609 /nfs/dbraw/zinc/44/96/09/812449609.db2.gz KKSXHAGWOFZSST-LSDHHAIUSA-N 0 3 288.391 2.377 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H](C)c2ccco2)CC1 ZINC001052705814 812450550 /nfs/dbraw/zinc/45/05/50/812450550.db2.gz KKSXHAGWOFZSST-GJZGRUSLSA-N 0 3 288.391 2.377 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H]2CC23CCC3)CC1 ZINC001052754256 812455940 /nfs/dbraw/zinc/45/59/40/812455940.db2.gz LPSZEIDAFCPMDV-GJZGRUSLSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)Cc2ccc(CC)cc2)CC1 ZINC001052756383 812457240 /nfs/dbraw/zinc/45/72/40/812457240.db2.gz GJMMJYIFWGWMMO-SFHVURJKSA-N 0 3 298.430 2.395 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)C(C2CC2)C2CC2)CC1 ZINC001052853942 812468553 /nfs/dbraw/zinc/46/85/53/812468553.db2.gz XGYARMGQBNEEQZ-INIZCTEOSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)CCCC ZINC001114204305 812480929 /nfs/dbraw/zinc/48/09/29/812480929.db2.gz QTUZRUIHOZWHDS-MQYQWHSLSA-N 0 3 250.386 2.045 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC=CCC1)C2 ZINC001054084459 812532309 /nfs/dbraw/zinc/53/23/09/812532309.db2.gz XKFFOLRUFUUVLT-FUHWJXTLSA-N 0 3 286.419 2.290 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C)C1CC1)C2 ZINC001054109798 812539984 /nfs/dbraw/zinc/53/99/84/812539984.db2.gz SNWSBRYNDPBNGH-QAPCUYQASA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)SC)C2 ZINC001054117803 812541524 /nfs/dbraw/zinc/54/15/24/812541524.db2.gz 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ZINC001131992463 812769981 /nfs/dbraw/zinc/76/99/81/812769981.db2.gz LPPXNRBWBPPPAE-DZGCQCFKSA-N 0 3 276.380 2.367 20 30 CEEDHN CC1(C(=O)NCCNCc2cccc(C#N)c2)CCCC1 ZINC001132004056 812772325 /nfs/dbraw/zinc/77/23/25/812772325.db2.gz MYNGWHKEFSLITI-UHFFFAOYSA-N 0 3 285.391 2.344 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cc(C)c(C)cn3)[C@@H]2C1 ZINC001050102143 812782606 /nfs/dbraw/zinc/78/26/06/812782606.db2.gz MBYRSXCXVYSETQ-DOTOQJQBSA-N 0 3 299.418 2.421 20 30 CEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)c3cc(C)[nH]c3C)[C@@H]2C1 ZINC001050152800 812790938 /nfs/dbraw/zinc/79/09/38/812790938.db2.gz BZTIBWURFADCJZ-DOTOQJQBSA-N 0 3 299.418 2.191 20 30 CEEDHN C=CCOCCN1C[C@@H](NC(=O)CC2(C)CC2)CC[C@@H]1C ZINC001132194920 812796181 /nfs/dbraw/zinc/79/61/81/812796181.db2.gz HCFVFDJYBJUECS-GJZGRUSLSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CC(C)(C)COC)CC[C@H]1C ZINC001132201135 812800292 /nfs/dbraw/zinc/80/02/92/812800292.db2.gz XEZKRPSEKMRHIZ-ZIAGYGMSSA-N 0 3 282.428 2.204 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C2(CC)CC2)CC[C@@H]1C ZINC001132283136 812815268 /nfs/dbraw/zinc/81/52/68/812815268.db2.gz SKYPGWGFDXSQPQ-KBPBESRZSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@@H]3C[C@]3(C)C(C)C)C2)CC1 ZINC001050715533 812853238 /nfs/dbraw/zinc/85/32/38/812853238.db2.gz QSRHMSVFKMLBGJ-DOTOQJQBSA-N 0 3 288.435 2.226 20 30 CEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001132564856 812891113 /nfs/dbraw/zinc/89/11/13/812891113.db2.gz LJRFWKUJYRHBIG-UONOGXRCSA-N 0 3 285.391 2.222 20 30 CEEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1scnc1C ZINC001132568732 812892578 /nfs/dbraw/zinc/89/25/78/812892578.db2.gz CWVIDCCZGBGWSP-MNOVXSKESA-N 0 3 281.425 2.116 20 30 CEEDHN C=C[C@@H](CC)CC(=O)NCCNCc1scnc1C ZINC001132667739 812921371 /nfs/dbraw/zinc/92/13/71/812921371.db2.gz RIIJFYKAUCPEAD-LBPRGKRZSA-N 0 3 281.425 2.260 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2ccccc2C)CC1 ZINC001052167326 812939796 /nfs/dbraw/zinc/93/97/96/812939796.db2.gz QEGYGTVTSZZMFZ-HNNXBMFYSA-N 0 3 270.376 2.213 20 30 CEEDHN C=CCCC1(C(=O)NCCNC[C@H](F)CC)CC1 ZINC001133373543 813041157 /nfs/dbraw/zinc/04/11/57/813041157.db2.gz AZWHYCRSEUWDSU-GFCCVEGCSA-N 0 3 256.365 2.187 20 30 CEEDHN C#C[C@](C)(CC)NC[C@H](O)c1cc(OC)ccc1OC ZINC000384195401 813117225 /nfs/dbraw/zinc/11/72/25/813117225.db2.gz XUNDDBHNNVSPOC-GOEBONIOSA-N 0 3 277.364 2.129 20 30 CEEDHN C=CCCCNc1cccc(N2CCN(C)CC2)n1 ZINC001159262344 813325049 /nfs/dbraw/zinc/32/50/49/813325049.db2.gz MTUQKGUXHSKDQM-UHFFFAOYSA-N 0 3 260.385 2.212 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(CC)ccn2)CC[C@H]1C ZINC001071527446 813430658 /nfs/dbraw/zinc/43/06/58/813430658.db2.gz DBSGSGGNIKMLIU-ZBFHGGJFSA-N 0 3 299.418 2.250 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@H]1CC[C@@H](C)N(CC)C1 ZINC001071568756 813439079 /nfs/dbraw/zinc/43/90/79/813439079.db2.gz SCQRGHHDMQAUSP-KGLIPLIRSA-N 0 3 275.396 2.277 20 30 CEEDHN Cc1nc(N[C@@H](C)[C@@H]2CNCCO2)c(C#N)c(C)c1Cl ZINC001159488310 813465000 /nfs/dbraw/zinc/46/50/00/813465000.db2.gz CCVQADOVYVFBLM-CABZTGNLSA-N 0 3 294.786 2.012 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)C2CC2)CC[C@H]1C ZINC001071756429 813474343 /nfs/dbraw/zinc/47/43/43/813474343.db2.gz HJDRLSPQNCPDBS-UKRRQHHQSA-N 0 3 276.424 2.415 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)CC2=CCOCC2)CC[C@@H]1C ZINC001071806776 813488658 /nfs/dbraw/zinc/48/86/58/813488658.db2.gz IQIKMDQXTJFKMD-GOEBONIOSA-N 0 3 292.423 2.268 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccn(C)c2C)CC[C@H]1C ZINC001071811965 813488988 /nfs/dbraw/zinc/48/89/88/813488988.db2.gz QWEFYBAEARSUEU-HIFRSBDPSA-N 0 3 289.423 2.492 20 30 CEEDHN C=CCN1C[C@H](NC(=O)Cc2ccc(C)nc2)CC[C@H]1C ZINC001072080751 813541964 /nfs/dbraw/zinc/54/19/64/813541964.db2.gz ASJKBELJCRWINB-GDBMZVCRSA-N 0 3 287.407 2.088 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)Cc3ccsc3)C2)C1 ZINC001072419437 813589872 /nfs/dbraw/zinc/58/98/72/813589872.db2.gz FEFGCDLNHQFOSN-UHFFFAOYSA-N 0 3 276.405 2.011 20 30 CEEDHN CC[C@@]1(C)C[C@H]1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001136089817 813613175 /nfs/dbraw/zinc/61/31/75/813613175.db2.gz OKMNLZWDKYCTGT-RDJZCZTQSA-N 0 3 285.391 2.200 20 30 CEEDHN CC(C)[C@]1(C)C[C@@H]1C(=O)NCCNCc1cccc(C#N)c1 ZINC001136090175 813613272 /nfs/dbraw/zinc/61/32/72/813613272.db2.gz STUVFPXWWZLCHR-AEFFLSMTSA-N 0 3 299.418 2.446 20 30 CEEDHN C=C[C@H]1C[C@]1(Nc1c[nH]cc2ccnc1-2)C(=O)OCC ZINC001170919680 813644574 /nfs/dbraw/zinc/64/45/74/813644574.db2.gz VOMUZMUDPRTPOH-XHDPSFHLSA-N 0 3 271.320 2.483 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@]3(C)CC=CCC3)C2)C1 ZINC001072774590 813654703 /nfs/dbraw/zinc/65/47/03/813654703.db2.gz YWVAXYKRBBTQDM-INIZCTEOSA-N 0 3 274.408 2.453 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@H]1CC[C@H](C)O1 ZINC000398096709 813657203 /nfs/dbraw/zinc/65/72/03/813657203.db2.gz FSONBAXKECRLMK-ZFWWWQNUSA-N 0 3 259.349 2.356 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)C2)C1 ZINC001072874679 813678127 /nfs/dbraw/zinc/67/81/27/813678127.db2.gz CXZSMAWWDMNYFR-KFWWJZLASA-N 0 3 274.408 2.143 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CCC(C)(C)C3)C2)C1 ZINC001072961352 813702031 /nfs/dbraw/zinc/70/20/31/813702031.db2.gz KKQPVMORBUESJX-HNNXBMFYSA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3cncc(Cl)c3)C2)C1 ZINC001073055054 813719385 /nfs/dbraw/zinc/71/93/85/813719385.db2.gz UQNDVZKZFCWJAO-UHFFFAOYSA-N 0 3 291.782 2.069 20 30 CEEDHN N#Cc1cccc(Cl)c1CN1CCN2CC[C@@H]2C1 ZINC001143732196 813867660 /nfs/dbraw/zinc/86/76/60/813867660.db2.gz NIAGDKWYYKDFTH-GFCCVEGCSA-N 0 3 261.756 2.102 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cncc(C)c2)C1 ZINC001090971476 813951359 /nfs/dbraw/zinc/95/13/59/813951359.db2.gz ZDSZIZIVTYOLMK-UHFFFAOYSA-N 0 3 293.798 2.241 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(CC)ccn2)C1 ZINC001098851228 813958395 /nfs/dbraw/zinc/95/83/95/813958395.db2.gz HUEKVIYEMBOIGL-YJBOKZPZSA-N 0 3 299.418 2.414 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001090988505 813959563 /nfs/dbraw/zinc/95/95/63/813959563.db2.gz WRTDBZFDAWFLCY-MCIGGMRASA-N 0 3 270.804 2.269 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)COC ZINC001098958881 813967399 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ZINC000054207036 343586326 /nfs/dbraw/zinc/58/63/26/343586326.db2.gz MPBQXTWXSFHUHO-UHFFFAOYSA-N 0 3 286.379 2.344 20 30 CEEDHN Cc1cccc(C(=O)NCCNCc2ccc(C#N)cc2)c1 ZINC000055176335 343599283 /nfs/dbraw/zinc/59/92/83/343599283.db2.gz NCYMZXNLLXEANC-UHFFFAOYSA-N 0 3 293.370 2.386 20 30 CEEDHN N#CCN(C(=O)[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000058854493 343649007 /nfs/dbraw/zinc/64/90/07/343649007.db2.gz PZYXYFDSTRUQQS-INIZCTEOSA-N 0 3 297.402 2.413 20 30 CEEDHN CCN1CCC(NC(=O)C2(C#N)CCCCC2)CC1 ZINC000057429120 343631487 /nfs/dbraw/zinc/63/14/87/343631487.db2.gz HZFMLVUQOCWSKL-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN CC(C)CN(CC(=O)N[C@@](C)(C#N)C(C)C)C(C)C ZINC000063495799 343678287 /nfs/dbraw/zinc/67/82/87/343678287.db2.gz BVCUZCCUKJDGHU-HNNXBMFYSA-N 0 3 267.417 2.407 20 30 CEEDHN CCN1CCN([C@@H](C)CNc2cccc(F)c2C#N)CC1 ZINC000060355831 343656901 /nfs/dbraw/zinc/65/69/01/343656901.db2.gz KLARXSCGURYLMW-ZDUSSCGKSA-N 0 3 290.386 2.135 20 30 CEEDHN C=CCNC(=O)NC(=O)CN(CCC)CC1CCCCC1 ZINC000060495743 343659406 /nfs/dbraw/zinc/65/94/06/343659406.db2.gz TWTNCHITOJZSOH-UHFFFAOYSA-N 0 3 295.427 2.291 20 30 CEEDHN C[C@H](CNCc1cccc(F)c1C#N)N(C)C1CC1 ZINC000601997693 346953447 /nfs/dbraw/zinc/95/34/47/346953447.db2.gz BGLNSCUQCMCWSY-LLVKDONJSA-N 0 3 261.344 2.270 20 30 CEEDHN CC(C)=CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065931309 343704378 /nfs/dbraw/zinc/70/43/78/343704378.db2.gz RKZSICWXPWBTKR-UHFFFAOYSA-N 0 3 285.391 2.415 20 30 CEEDHN C=C[C@H](CC(=O)NCCN(C)CCOC)c1ccccc1 ZINC000126914244 187270047 /nfs/dbraw/zinc/27/00/47/187270047.db2.gz WOAOAELXTCFATR-OAHLLOKOSA-N 0 3 290.407 2.041 20 30 CEEDHN COCC[C@H](C)CNCc1cccc(F)c1C#N ZINC000602021438 346962456 /nfs/dbraw/zinc/96/24/56/346962456.db2.gz UJMJJROJOKPFFJ-NSHDSACASA-N 0 3 250.317 2.460 20 30 CEEDHN N#Cc1cccc(C(=O)N2CCC[C@@H]2CN2CCCC2)c1 ZINC000066945870 343725951 /nfs/dbraw/zinc/72/59/51/343725951.db2.gz SWJZZBVDTOLFHV-MRXNPFEDSA-N 0 3 283.375 2.259 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000069316637 343785463 /nfs/dbraw/zinc/78/54/63/343785463.db2.gz DDWGBFXVOLRKBN-ZBFHGGJFSA-N 0 3 290.407 2.387 20 30 CEEDHN C=CCOc1ccc(CNC[C@](C)(O)COC)cc1Cl ZINC000069911681 343792454 /nfs/dbraw/zinc/79/24/54/343792454.db2.gz CKAVPHFKXWEXAY-HNNXBMFYSA-N 0 3 299.798 2.392 20 30 CEEDHN CCN(CC#N)C(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000070449278 343793348 /nfs/dbraw/zinc/79/33/48/343793348.db2.gz NSSKQOPJQZMACM-INIZCTEOSA-N 0 3 285.391 2.271 20 30 CEEDHN C=CCSCCNC(=O)N1CCCN(C(C)C)CC1 ZINC000076078112 343879340 /nfs/dbraw/zinc/87/93/40/343879340.db2.gz RDLYXCZAYUQYJY-UHFFFAOYSA-N 0 3 285.457 2.031 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@H](C)[C@H](C)C1 ZINC000076114044 343882152 /nfs/dbraw/zinc/88/21/52/343882152.db2.gz QXEYLBMANZFPPV-MJBXVCDLSA-N 0 3 252.402 2.387 20 30 CEEDHN C[C@@H](C#N)CN(C)CCCCCN(C)C[C@@H](C)C#N ZINC000077270093 343913992 /nfs/dbraw/zinc/91/39/92/343913992.db2.gz YHNJCMORBFIHRN-GJZGRUSLSA-N 0 3 264.417 2.340 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN([C@@H](CC)CO)CC1 ZINC000091512619 344166489 /nfs/dbraw/zinc/16/64/89/344166489.db2.gz SBGGHIVIISMNLR-CABCVRRESA-N 0 3 254.418 2.120 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@]1(OC)CCOC1 ZINC000602455187 347040517 /nfs/dbraw/zinc/04/05/17/347040517.db2.gz OYTALUBAOAERIH-KRWDZBQOSA-N 0 3 286.375 2.352 20 30 CEEDHN CN(Cc1ccccc1)C[C@H](O)COc1cccc(C#N)c1 ZINC000122103179 344305525 /nfs/dbraw/zinc/30/55/25/344305525.db2.gz ZATAIXCWAWUQBX-KRWDZBQOSA-N 0 3 296.370 2.430 20 30 CEEDHN COc1ccc(CCNCc2cccc(C#N)n2)cc1OC ZINC000602503876 347059184 /nfs/dbraw/zinc/05/91/84/347059184.db2.gz NOHKAYILUSVSQU-UHFFFAOYSA-N 0 3 297.358 2.303 20 30 CEEDHN COC(=O)CN(C[C@H](C)CCC#N)C1CCCC1 ZINC000602486141 347056200 /nfs/dbraw/zinc/05/62/00/347056200.db2.gz PJVMBOLKLRARLX-GFCCVEGCSA-N 0 3 252.358 2.344 20 30 CEEDHN CCC[C@@H]1CN(C[C@H](C)CCC#N)CCN1CCOC ZINC000602487740 347057125 /nfs/dbraw/zinc/05/71/25/347057125.db2.gz YLUWISQOSKZQJS-HZPDHXFCSA-N 0 3 281.444 2.359 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@@H](CO)C[C@H](O)c2ccccc2)C1 ZINC000278791578 344672521 /nfs/dbraw/zinc/67/25/21/344672521.db2.gz QJOMOKWPXLRXCQ-XBVQOTNRSA-N 0 3 288.391 2.143 20 30 CEEDHN COC(=O)[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)C[C@H]1C ZINC000280690110 344674757 /nfs/dbraw/zinc/67/47/57/344674757.db2.gz HNSMSFYBSAONJC-TYNCELHUSA-N 0 3 272.348 2.360 20 30 CEEDHN C[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1cccnc1 ZINC000314533180 344745681 /nfs/dbraw/zinc/74/56/81/344745681.db2.gz HPPBGIMJBCQCKJ-CZUORRHYSA-N 0 3 297.358 2.044 20 30 CEEDHN C[C@@H](CCC#N)CNCc1nccn1CC(F)(F)F ZINC000602534746 347069515 /nfs/dbraw/zinc/06/95/15/347069515.db2.gz JXXXDOOLXHTLGA-JTQLQIEISA-N 0 3 274.290 2.475 20 30 CEEDHN CC1(NC(=O)[C@@H](N)CCCCC#N)CCC(F)(F)CC1 ZINC000602535526 347069626 /nfs/dbraw/zinc/06/96/26/347069626.db2.gz ORAVUNRECIRHCP-NSHDSACASA-N 0 3 287.354 2.482 20 30 CEEDHN Cn1ncc(C(=O)OC(C)(C)C)c1CNCCCCC#N ZINC000602539496 347070206 /nfs/dbraw/zinc/07/02/06/347070206.db2.gz GYBOVEGWAOAILU-UHFFFAOYSA-N 0 3 292.383 2.159 20 30 CEEDHN O=C(C#Cc1ccccc1)NC1CCN(C2CCC2)CC1 ZINC000297218588 344695875 /nfs/dbraw/zinc/69/58/75/344695875.db2.gz QOUHQKFGXXQDHE-UHFFFAOYSA-N 0 3 282.387 2.171 20 30 CEEDHN CC[C@@H]1CN(C)CCCN1c1nccc(C)c1C#N ZINC000300545517 344700607 /nfs/dbraw/zinc/70/06/07/344700607.db2.gz KNNYCNMTTRLFGQ-CYBMUJFWSA-N 0 3 258.369 2.182 20 30 CEEDHN CNc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000602550831 347073104 /nfs/dbraw/zinc/07/31/04/347073104.db2.gz OFKFPANDLPDPBH-CYBMUJFWSA-N 0 3 260.341 2.078 20 30 CEEDHN CC[C@@H](C#N)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000390774172 344837754 /nfs/dbraw/zinc/83/77/54/344837754.db2.gz LVEXLZSQSPIEJO-HIFRSBDPSA-N 0 3 273.380 2.173 20 30 CEEDHN N#Cc1cccc(CNCC[C@H]2COc3ccccc3O2)n1 ZINC000602571651 347083558 /nfs/dbraw/zinc/08/35/58/347083558.db2.gz BDWSNLZDNBYNPT-HNNXBMFYSA-N 0 3 295.342 2.273 20 30 CEEDHN CC[C@@H](C#N)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000405967660 344885520 /nfs/dbraw/zinc/88/55/20/344885520.db2.gz SHUGFQBZLZUPCB-DOTOQJQBSA-N 0 3 285.391 2.317 20 30 CEEDHN CCN(C[C@@H]1CCCN1CC)C(=O)CCCC#N ZINC000558649396 344936700 /nfs/dbraw/zinc/93/67/00/344936700.db2.gz QPSUKAKFONPQOR-ZDUSSCGKSA-N 0 3 251.374 2.013 20 30 CEEDHN C[C@@H]1C[C@@H](C)CN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000584604458 344963533 /nfs/dbraw/zinc/96/35/33/344963533.db2.gz UYQFGXSVYCNVIE-VXGBXAGGSA-N 0 3 269.352 2.079 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCN(c3ncccc3F)C2)C1 ZINC000584699174 344977267 /nfs/dbraw/zinc/97/72/67/344977267.db2.gz UFZNIVAPUILYNR-AGIUHOORSA-N 0 3 274.343 2.081 20 30 CEEDHN CC1(C)NC(=O)CC[C@H]1NCc1ccc(C#N)c(Cl)c1 ZINC000589949382 345105781 /nfs/dbraw/zinc/10/57/81/345105781.db2.gz RNVVUIZUTOQUPT-CYBMUJFWSA-N 0 3 291.782 2.358 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC1COCCOC1 ZINC000589949606 345105852 /nfs/dbraw/zinc/10/58/52/345105852.db2.gz CYKGPTXWFXIQBL-QGZVFWFLSA-N 0 3 286.375 2.331 20 30 CEEDHN CC(C)(CC#N)CNCc1ccccc1-n1cncn1 ZINC000590970637 345207861 /nfs/dbraw/zinc/20/78/61/345207861.db2.gz KRLQSIHQXRWSOE-UHFFFAOYSA-N 0 3 269.352 2.297 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CC[C@H](C3CCC3)C2)c1 ZINC000591061874 345215367 /nfs/dbraw/zinc/21/53/67/345215367.db2.gz MBLYPQYWJOSNLQ-KRWDZBQOSA-N 0 3 297.402 2.296 20 30 CEEDHN CC(=O)N[C@@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000591475827 345261019 /nfs/dbraw/zinc/26/10/19/345261019.db2.gz BIXGQRDBTPBQRE-MRXNPFEDSA-N 0 3 285.391 2.198 20 30 CEEDHN CC1(C)CN(C(=O)[C@H](N)CCCC#N)c2ccccc21 ZINC000591617682 345270089 /nfs/dbraw/zinc/27/00/89/345270089.db2.gz HSKIRUXMYXJWGD-CYBMUJFWSA-N 0 3 271.364 2.332 20 30 CEEDHN CC(C)N(C)c1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000592283904 345341787 /nfs/dbraw/zinc/34/17/87/345341787.db2.gz HJGALUQPGYBXAJ-ZDUSSCGKSA-N 0 3 288.395 2.491 20 30 CEEDHN CC[C@H](N[C@H]1CC[C@@H](C#N)C1)C(=O)NCc1cccs1 ZINC000592393949 345349498 /nfs/dbraw/zinc/34/94/98/345349498.db2.gz LROLNJYZEIQFRQ-DYEKYZERSA-N 0 3 291.420 2.425 20 30 CEEDHN C[C@@H](CN1CC[C@](O)(CC#N)C1)c1ccc(F)cc1 ZINC000592522018 345365427 /nfs/dbraw/zinc/36/54/27/345365427.db2.gz GQPDWRPFCJJIJU-SWLSCSKDSA-N 0 3 262.328 2.280 20 30 CEEDHN N#CC[C@]1(O)CCN(Cc2cccc3cccnc32)C1 ZINC000592148155 345329150 /nfs/dbraw/zinc/32/91/50/345329150.db2.gz VXTYDUSFSZNMOA-INIZCTEOSA-N 0 3 267.332 2.085 20 30 CEEDHN Cc1ccc(C)c(OCCCN2CC[C@@](O)(CC#N)C2)c1 ZINC000592146273 345329615 /nfs/dbraw/zinc/32/96/15/345329615.db2.gz AZXVYLMNJCLHPA-KRWDZBQOSA-N 0 3 288.391 2.423 20 30 CEEDHN C[C@H](CO)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000593081706 345434841 /nfs/dbraw/zinc/43/48/41/345434841.db2.gz HXKXHIAGPJPWLO-CYBMUJFWSA-N 0 3 258.365 2.399 20 30 CEEDHN CCCN(C(=O)NCC1(C#N)CCCC1)[C@H]1CCN(C)C1 ZINC000593433170 345485342 /nfs/dbraw/zinc/48/53/42/345485342.db2.gz IAOXZODELPHOTO-AWEZNQCLSA-N 0 3 292.427 2.196 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCN1CCCC1=O ZINC000593724094 345528115 /nfs/dbraw/zinc/52/81/15/345528115.db2.gz VEQLEYTXXSLBLC-MRXNPFEDSA-N 0 3 283.375 2.148 20 30 CEEDHN N#Cc1ccc(CN2CCC(C3OCCO3)CC2)cc1 ZINC000110084378 232196990 /nfs/dbraw/zinc/19/69/90/232196990.db2.gz CNMDCYWGFKWJSG-UHFFFAOYSA-N 0 3 272.348 2.143 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)CCN1CCCCC1 ZINC000593881813 345547743 /nfs/dbraw/zinc/54/77/43/345547743.db2.gz CSCKLFKIJUDELZ-UHFFFAOYSA-N 0 3 285.391 2.425 20 30 CEEDHN CC(C#N)C(=O)N1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000593887203 345548197 /nfs/dbraw/zinc/54/81/97/345548197.db2.gz PQPNIAHOVIBPTI-QWRGUYRKSA-N 0 3 260.312 2.474 20 30 CEEDHN CCC(C#N)C(=O)N=c1cc(CCc2ccccc2C)[nH][nH]1 ZINC000593895277 345549741 /nfs/dbraw/zinc/54/97/41/345549741.db2.gz YBBNMNJEFJZPAR-ZDUSSCGKSA-N 0 3 296.374 2.414 20 30 CEEDHN N#Cc1ccc(CN2CCCCC[C@@H]2CCO)nc1 ZINC000593985960 345560327 /nfs/dbraw/zinc/56/03/27/345560327.db2.gz PXJATSFUCSUKCP-OAHLLOKOSA-N 0 3 259.353 2.080 20 30 CEEDHN Cn1cc([C@@H]2CN(Cc3ccnc(C#N)c3)CC2(C)C)cn1 ZINC000593997465 345562662 /nfs/dbraw/zinc/56/26/62/345562662.db2.gz IYHBJCKENDUNFR-INIZCTEOSA-N 0 3 295.390 2.312 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000593612048 345512831 /nfs/dbraw/zinc/51/28/31/345512831.db2.gz GVOWERHOZQLUTI-OCCSQVGLSA-N 0 3 288.347 2.184 20 30 CEEDHN N#CC[C@]1(O)CCN(Cc2cccc3c2CCC3)C1 ZINC000593635527 345516058 /nfs/dbraw/zinc/51/60/58/345516058.db2.gz GJDLPAGRYKAYQR-INIZCTEOSA-N 0 3 256.349 2.026 20 30 CEEDHN N#Cc1cscc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594199449 345597357 /nfs/dbraw/zinc/59/73/57/345597357.db2.gz ZVDVWEFFKOTKMA-KBPBESRZSA-N 0 3 289.404 2.366 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000594271008 345607346 /nfs/dbraw/zinc/60/73/46/345607346.db2.gz JCDCRWRSPNEPOK-RHSMWYFYSA-N 0 3 299.418 2.289 20 30 CEEDHN C[C@@H]1CN(C(=O)CCCCC#N)CCN(C2CC2)C1 ZINC000594365343 345617140 /nfs/dbraw/zinc/61/71/40/345617140.db2.gz IVPASXDRZWMKPC-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN CC(C)(C#N)c1ccc(CNC2(CO)CCC2)cc1 ZINC000594497116 345638027 /nfs/dbraw/zinc/63/80/27/345638027.db2.gz BSWMEFYFBKPYDB-UHFFFAOYSA-N 0 3 258.365 2.492 20 30 CEEDHN CCCN(C(=O)CCCCC#N)[C@@H]1CCN(C)C1 ZINC000594374472 345618548 /nfs/dbraw/zinc/61/85/48/345618548.db2.gz RVYPSGIJFDVJRO-CYBMUJFWSA-N 0 3 251.374 2.013 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594409432 345623238 /nfs/dbraw/zinc/62/32/38/345623238.db2.gz VTNXTOOUGGAZGX-MRXNPFEDSA-N 0 3 283.375 2.275 20 30 CEEDHN Cc1ccc(F)c(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594424336 345625275 /nfs/dbraw/zinc/62/52/75/345625275.db2.gz AWPFINIIMVRYJS-GFCCVEGCSA-N 0 3 263.316 2.484 20 30 CEEDHN CC[C@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594425745 345625847 /nfs/dbraw/zinc/62/58/47/345625847.db2.gz BOKLNWJDIKEXIK-STQMWFEESA-N 0 3 251.374 2.046 20 30 CEEDHN CCN(C(=O)[C@@H](N)CCCCC#N)c1ccc(OC)cc1 ZINC000594426523 345626384 /nfs/dbraw/zinc/62/63/84/345626384.db2.gz DQYKHHURDMIGDN-HNNXBMFYSA-N 0 3 289.379 2.459 20 30 CEEDHN CN(Cc1ccsc1)C(=O)[C@H](N)CCCCC#N ZINC000594427640 345627066 /nfs/dbraw/zinc/62/70/66/345627066.db2.gz VUHAXRAQVKHWFR-GFCCVEGCSA-N 0 3 265.382 2.118 20 30 CEEDHN CC(C)c1nnc(NC(=O)[C@H](N)CCCCC#N)s1 ZINC000594428317 345627227 /nfs/dbraw/zinc/62/72/27/345627227.db2.gz MOHYTMZGTVEMJJ-SECBINFHSA-N 0 3 281.385 2.011 20 30 CEEDHN C[C@@H]1CCC[C@H](NC(=O)[C@@H](N)CCCCC#N)[C@H]1C ZINC000594428142 345627431 /nfs/dbraw/zinc/62/74/31/345627431.db2.gz ZSDLEUZUGIIAIR-RFGFWPKPSA-N 0 3 265.401 2.339 20 30 CEEDHN Cc1ccsc1CNC(=O)[C@@H](N)CCCCC#N ZINC000594428928 345628090 /nfs/dbraw/zinc/62/80/90/345628090.db2.gz OPTUDCSVSCPOJP-NSHDSACASA-N 0 3 265.382 2.084 20 30 CEEDHN C[C@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594430904 345628624 /nfs/dbraw/zinc/62/86/24/345628624.db2.gz CWTSAMOTPNGDDN-STQMWFEESA-N 0 3 251.374 2.046 20 30 CEEDHN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CCCCC#N)C1(C)C ZINC000594434211 345629372 /nfs/dbraw/zinc/62/93/72/345629372.db2.gz XUNITJLJINQZGG-MGPQQGTHSA-N 0 3 295.427 2.060 20 30 CEEDHN CCC1(CNC(=O)[C@@H](N)CCCCC#N)CCC1 ZINC000594434923 345629937 /nfs/dbraw/zinc/62/99/37/345629937.db2.gz WPJZCWHINLZRQM-LBPRGKRZSA-N 0 3 251.374 2.094 20 30 CEEDHN CC[C@@H](NC(=O)[C@H](N)CCCCC#N)c1nc(C)cs1 ZINC000594438199 345630744 /nfs/dbraw/zinc/63/07/44/345630744.db2.gz NCTRIWNINSHQCJ-VXGBXAGGSA-N 0 3 294.424 2.430 20 30 CEEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCCC#N)[C@@H]2CCCC[C@@H]21 ZINC000594439026 345631241 /nfs/dbraw/zinc/63/12/41/345631241.db2.gz ZECCYUPRJGYJPL-KBUPBQIOSA-N 0 3 277.412 2.435 20 30 CEEDHN C[C@H](CCC1CC1)NC(=O)[C@@H](N)CCCCC#N ZINC000594443730 345632109 /nfs/dbraw/zinc/63/21/09/345632109.db2.gz SOLNYGLUWUNLKJ-YPMHNXCESA-N 0 3 251.374 2.093 20 30 CEEDHN COc1ccc(CNC(=O)[C@@H](N)CCCCC#N)c(C)c1 ZINC000594444427 345632505 /nfs/dbraw/zinc/63/25/05/345632505.db2.gz LXGJMOVFHKDCAS-HNNXBMFYSA-N 0 3 289.379 2.031 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCc1ccc(F)c(F)c1 ZINC000594444538 345632560 /nfs/dbraw/zinc/63/25/60/345632560.db2.gz SKDBPWMZEFBGTQ-CQSZACIVSA-N 0 3 295.333 2.035 20 30 CEEDHN CCSCC[C@H](C)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594446768 345632688 /nfs/dbraw/zinc/63/26/88/345632688.db2.gz XJBXDLCCYBSSBE-QWHCGFSZSA-N 0 3 285.457 2.388 20 30 CEEDHN C[C@H]1CC(NC(=O)[C@H](N)CCCCC#N)C[C@H](C)C1 ZINC000594447637 345633566 /nfs/dbraw/zinc/63/35/66/345633566.db2.gz UMERIUBDVRLZEF-YRGRVCCFSA-N 0 3 265.401 2.339 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@@H]1CC12CCSCC2 ZINC000594450255 345633768 /nfs/dbraw/zinc/63/37/68/345633768.db2.gz VRXKKMTZMTXDJF-QWHCGFSZSA-N 0 3 295.452 2.047 20 30 CEEDHN Cc1nc(N[C@H]2CCCN3CCCC[C@H]23)ccc1C#N ZINC000594604403 345658284 /nfs/dbraw/zinc/65/82/84/345658284.db2.gz YYCJFZBTKRJDDR-LSDHHAIUSA-N 0 3 270.380 2.112 20 30 CEEDHN CC[C@@H](NCc1cnc2c(C#N)cnn2c1)[C@H]1CCCCO1 ZINC000594611050 345661023 /nfs/dbraw/zinc/66/10/23/345661023.db2.gz LGGDAOQNNMZUDY-HUUCEWRRSA-N 0 3 299.378 2.038 20 30 CEEDHN C=CCC[C@@H](CO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594506040 345639620 /nfs/dbraw/zinc/63/96/20/345639620.db2.gz KFAQNFCJICOACC-SMDDNHRTSA-N 0 3 276.336 2.499 20 30 CEEDHN CO[C@](C)(CO)CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000594512906 345641544 /nfs/dbraw/zinc/64/15/44/345641544.db2.gz SQUIUSMNXUXZSG-SJORKVTESA-N 0 3 288.391 2.313 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCCN3CCCC[C@H]23)o1 ZINC000594518544 345642891 /nfs/dbraw/zinc/64/28/91/345642891.db2.gz HMSYOPHUMQNIJQ-HUUCEWRRSA-N 0 3 259.353 2.258 20 30 CEEDHN N#CC1CCN(CCC(=O)Nc2cccc(F)c2)CC1 ZINC000057879095 362599279 /nfs/dbraw/zinc/59/92/79/362599279.db2.gz LXKXCRSIPJDBTO-UHFFFAOYSA-N 0 3 275.327 2.390 20 30 CEEDHN C[C@]1(CCN[C@H](C(N)=O)c2ccc(C#N)cc2)CC1(F)F ZINC000594733125 345681344 /nfs/dbraw/zinc/68/13/44/345681344.db2.gz YERWSGUCKZNZFJ-JSGCOSHPSA-N 0 3 293.317 2.110 20 30 CEEDHN CC[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)CCCC#N ZINC000595251773 345748193 /nfs/dbraw/zinc/74/81/93/345748193.db2.gz XAFXHGJJNYLVPB-HUUCEWRRSA-N 0 3 291.370 2.284 20 30 CEEDHN Cc1cc(F)ccc1C[C@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000595256109 345749385 /nfs/dbraw/zinc/74/93/85/345749385.db2.gz LKYGCVVRXPEZOA-WFASDCNBSA-N 0 3 291.370 2.203 20 30 CEEDHN N#CCN1CCC(NCc2ccc(F)c(F)c2F)CC1 ZINC000594922437 345703112 /nfs/dbraw/zinc/70/31/12/345703112.db2.gz GAOGHIUSZMQNNR-UHFFFAOYSA-N 0 3 283.297 2.181 20 30 CEEDHN C[C@H](CN1CCCC1=O)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594923685 345703854 /nfs/dbraw/zinc/70/38/54/345703854.db2.gz FFMZMWIBFSILQM-CQSZACIVSA-N 0 3 297.402 2.342 20 30 CEEDHN N#Cc1ccc(CCNCc2ccnn2CC2CC2)cc1 ZINC000594955698 345715781 /nfs/dbraw/zinc/71/57/81/345715781.db2.gz SIRIFIXKYPIAHI-UHFFFAOYSA-N 0 3 280.375 2.497 20 30 CEEDHN C=CCCSCCNCc1cnc2n1CCC2 ZINC000594966349 345719300 /nfs/dbraw/zinc/71/93/00/345719300.db2.gz HMFIGEHYSLZVOB-UHFFFAOYSA-N 0 3 251.399 2.228 20 30 CEEDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCC1(C#N)CCCCC1 ZINC000594985515 345721970 /nfs/dbraw/zinc/72/19/70/345721970.db2.gz WPZKUEMOTLFFMP-YNEHKIRRSA-N 0 3 264.369 2.248 20 30 CEEDHN N#CCCn1cc(CN[C@H]2C[C@H](O)C2)c(-c2ccccc2)n1 ZINC000594997710 345724100 /nfs/dbraw/zinc/72/41/00/345724100.db2.gz BDLBMMRZSSLWOO-WKILWMFISA-N 0 3 296.374 2.077 20 30 CEEDHN C=CCCSCCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000595551227 345809739 /nfs/dbraw/zinc/80/97/39/345809739.db2.gz GVHZRIKGSRUSGN-CHWSQXEVSA-N 0 3 285.457 2.078 20 30 CEEDHN C=CCCSCCNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000595553145 345810923 /nfs/dbraw/zinc/81/09/23/345810923.db2.gz FFGDGRXTGLFQEF-QWHCGFSZSA-N 0 3 297.468 2.220 20 30 CEEDHN Cc1cccc(C)c1[C@H]1CCCN1CC(=O)NCC#N ZINC000595603178 345823389 /nfs/dbraw/zinc/82/33/89/345823389.db2.gz YLYVTNADNMDKTJ-CQSZACIVSA-N 0 3 271.364 2.080 20 30 CEEDHN CC[C@H](C)N(CC)CC(=O)NCc1cccc(C#N)c1 ZINC000595592589 345820433 /nfs/dbraw/zinc/82/04/33/345820433.db2.gz GFOSWQRKMQTDEU-ZDUSSCGKSA-N 0 3 273.380 2.295 20 30 CEEDHN CC(C)[C@@H](C#N)N1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000595396667 345773479 /nfs/dbraw/zinc/77/34/79/345773479.db2.gz DAKQYAAPHIRPBH-QKPAOTATSA-N 0 3 261.413 2.198 20 30 CEEDHN N#Cc1cccc(N2CCN(C[C@@H]3C[C@H]4C[C@H]4C3)CC2)n1 ZINC000595434589 345782276 /nfs/dbraw/zinc/78/22/76/345782276.db2.gz CDNZYQKAGLPGEC-QDMKHBRRSA-N 0 3 282.391 2.121 20 30 CEEDHN N#Cc1cccc(N2CCN(CC3CC=CC3)CC2)n1 ZINC000595435364 345782291 /nfs/dbraw/zinc/78/22/91/345782291.db2.gz NVZPVQRHXYOAGH-UHFFFAOYSA-N 0 3 268.364 2.041 20 30 CEEDHN COCC1(NCc2ccc(C#N)cc2Cl)CCOCC1 ZINC000595502204 345797757 /nfs/dbraw/zinc/79/77/57/345797757.db2.gz XBCQQTWCPIIJCI-UHFFFAOYSA-N 0 3 294.782 2.497 20 30 CEEDHN Cc1cc(C#N)ccc1CN1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595743768 345864247 /nfs/dbraw/zinc/86/42/47/345864247.db2.gz QRDUMBKMFHBADK-CHWSQXEVSA-N 0 3 258.365 2.315 20 30 CEEDHN COC(=O)[C@@H]1CCN(CCCC#N)[C@H]2CCCC[C@H]12 ZINC000595731440 345861617 /nfs/dbraw/zinc/86/16/17/345861617.db2.gz BJNALIBUPJGNOM-MCIONIFRSA-N 0 3 264.369 2.344 20 30 CEEDHN COC(=O)[C@@H]1CCN(CCCC#N)[C@H]2CCCC[C@@H]12 ZINC000595731442 345861699 /nfs/dbraw/zinc/86/16/99/345861699.db2.gz BJNALIBUPJGNOM-MJBXVCDLSA-N 0 3 264.369 2.344 20 30 CEEDHN N#CC[C@H]1CCCN(CCC(=O)NC2CCCC2)C1 ZINC000595611595 345826844 /nfs/dbraw/zinc/82/68/44/345826844.db2.gz LWQAZIUFWSLWMD-CYBMUJFWSA-N 0 3 263.385 2.061 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595739782 345863040 /nfs/dbraw/zinc/86/30/40/345863040.db2.gz JWFJJAZDLKWBCU-UHOFOFEASA-N 0 3 283.375 2.220 20 30 CEEDHN N#CC[C@@H]1CCCN(CCO[C@H]2CCCCO2)C1 ZINC000595620786 345830079 /nfs/dbraw/zinc/83/00/79/345830079.db2.gz QTNFLXQTNHWLPK-KBPBESRZSA-N 0 3 252.358 2.155 20 30 CEEDHN N#CC[C@H]1CCCN(C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000595623255 345831077 /nfs/dbraw/zinc/83/10/77/345831077.db2.gz LJJFIGZJYWXQCA-GDBMZVCRSA-N 0 3 276.355 2.355 20 30 CEEDHN C=CCN(CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)COC ZINC000595647903 345837584 /nfs/dbraw/zinc/83/75/84/345837584.db2.gz RZSRZDMTIHVMSF-ZDUSSCGKSA-N 0 3 294.351 2.497 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](C2CCC2)C1 ZINC000595833790 345890043 /nfs/dbraw/zinc/89/00/43/345890043.db2.gz NBJCNEAMGWTXHN-HIFRSBDPSA-N 0 3 289.423 2.449 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](C2CCC2)C1 ZINC000595833792 345890137 /nfs/dbraw/zinc/89/01/37/345890137.db2.gz NBJCNEAMGWTXHN-ZFWWWQNUSA-N 0 3 289.423 2.449 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC[C@H](C2CCC2)C1 ZINC000595838787 345894120 /nfs/dbraw/zinc/89/41/20/345894120.db2.gz WHRYSDHGHXSJHR-HNNXBMFYSA-N 0 3 277.412 2.261 20 30 CEEDHN COc1ccc(CN2CCC[C@@](O)(C3CC3)C2)cc1C#N ZINC000595749903 345865829 /nfs/dbraw/zinc/86/58/29/345865829.db2.gz IDONYJJUQSKOPI-KRWDZBQOSA-N 0 3 286.375 2.304 20 30 CEEDHN C[C@@]12COC[C@H]1CN(Cc1ccc(F)c(C#N)c1)C2 ZINC000595757236 345868506 /nfs/dbraw/zinc/86/85/06/345868506.db2.gz IHUVHVSARRTSRL-UKRRQHHQSA-N 0 3 260.312 2.166 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@@]1(C)CO ZINC000595870007 345902380 /nfs/dbraw/zinc/90/23/80/345902380.db2.gz FLGBXQYHSPAATL-ABAIWWIYSA-N 0 3 262.328 2.148 20 30 CEEDHN CCN1C[C@@H](C)N(c2nc3ncccc3cc2C#N)C[C@@H]1C ZINC000596176230 345960396 /nfs/dbraw/zinc/96/03/96/345960396.db2.gz BMAHWJRAGUXMNS-QWHCGFSZSA-N 0 3 295.390 2.420 20 30 CEEDHN CCc1nc(C#N)cc(NCCN2CCCC[C@H]2CC)n1 ZINC000596125422 345945242 /nfs/dbraw/zinc/94/52/42/345945242.db2.gz ATKZYLKFURMQGY-CQSZACIVSA-N 0 3 287.411 2.009 20 30 CEEDHN Cc1nnc(N2CCN(C)C3(CCCCC3)C2)c(C#N)c1C ZINC000596251718 345981068 /nfs/dbraw/zinc/98/10/68/345981068.db2.gz XGYDPGGTSPKKTL-UHFFFAOYSA-N 0 3 299.422 2.420 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000596656270 346073657 /nfs/dbraw/zinc/07/36/57/346073657.db2.gz BAAGAPRJZRBVOM-LBPRGKRZSA-N 0 3 280.416 2.050 20 30 CEEDHN CCN(C(=O)Nc1cc(C#N)ccc1C)[C@H]1CCN(C)C1 ZINC000596706643 346077766 /nfs/dbraw/zinc/07/77/66/346077766.db2.gz DOXMTHGYSRXVML-AWEZNQCLSA-N 0 3 286.379 2.425 20 30 CEEDHN C=CCCSCCNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000596721667 346080729 /nfs/dbraw/zinc/08/07/29/346080729.db2.gz LXGRBGPJWCANRB-UONOGXRCSA-N 0 3 299.484 2.420 20 30 CEEDHN C=CCCSCCNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000596722201 346080852 /nfs/dbraw/zinc/08/08/52/346080852.db2.gz PWTXDDLVDVTOBF-AWEZNQCLSA-N 0 3 297.468 2.175 20 30 CEEDHN C=CCCSCCNC(=O)N1CCCN(C(C)C)CC1 ZINC000596722594 346080910 /nfs/dbraw/zinc/08/09/10/346080910.db2.gz WMVMXGHBGCXYLP-UHFFFAOYSA-N 0 3 299.484 2.421 20 30 CEEDHN N#Cc1ccc(OCCN[C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597061595 346122985 /nfs/dbraw/zinc/12/29/85/346122985.db2.gz QJAXYIRKZHXYAE-GDBMZVCRSA-N 0 3 272.348 2.094 20 30 CEEDHN C[C@H](CC#N)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000597314775 346170619 /nfs/dbraw/zinc/17/06/19/346170619.db2.gz XPLACPMNGHIGLE-ZBFHGGJFSA-N 0 3 285.391 2.269 20 30 CEEDHN C[C@H](O)C1(NCc2cccc(OCCCC#N)c2)CC1 ZINC000597233925 346156903 /nfs/dbraw/zinc/15/69/03/346156903.db2.gz COLWZPSRNDJOCR-ZDUSSCGKSA-N 0 3 274.364 2.372 20 30 CEEDHN C[C@H]1CN(Cc2cc(C#N)cs2)C[C@@]1(C)CO ZINC000597234453 346156956 /nfs/dbraw/zinc/15/69/56/346156956.db2.gz AEZMCDUWLGWYKL-GWCFXTLKSA-N 0 3 250.367 2.070 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000597372275 346177972 /nfs/dbraw/zinc/17/79/72/346177972.db2.gz QOBYEOYMMHCBTC-FMKPAKJESA-N 0 3 285.391 2.315 20 30 CEEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)C1(CO)CC1 ZINC000597254828 346162870 /nfs/dbraw/zinc/16/28/70/346162870.db2.gz LXIKITCTCIOPOD-UHFFFAOYSA-N 0 3 256.349 2.198 20 30 CEEDHN CCC(CC)N(CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000523945291 260290030 /nfs/dbraw/zinc/29/00/30/260290030.db2.gz GVNMYTAGLWMZNM-MRXNPFEDSA-N 0 3 277.412 2.448 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1cccs1)C(C)(C)CO ZINC000597847257 346238382 /nfs/dbraw/zinc/23/83/82/346238382.db2.gz SJWSQDOJCLQKNP-KOLCDFICSA-N 0 3 266.366 2.084 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CCN(c2ccccc2Cl)C1 ZINC000597878418 346243843 /nfs/dbraw/zinc/24/38/43/346243843.db2.gz RHPPHOHTRUGCPW-VXGBXAGGSA-N 0 3 291.782 2.442 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)c2cccc(CC#N)c2)C1 ZINC000597921819 346253757 /nfs/dbraw/zinc/25/37/57/346253757.db2.gz BYLOPFQAOWDQFT-HNNXBMFYSA-N 0 3 285.391 2.355 20 30 CEEDHN CCN(C(=O)c1ccc(C#N)cc1C)[C@@H]1CCN(C)C1 ZINC000597945047 346255932 /nfs/dbraw/zinc/25/59/32/346255932.db2.gz GXSNITFZWRCSEJ-CQSZACIVSA-N 0 3 271.364 2.033 20 30 CEEDHN CC(C)N(C)CC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000597948790 346256780 /nfs/dbraw/zinc/25/67/80/346256780.db2.gz NQFHIHRBKPLNDD-UHFFFAOYSA-N 0 3 273.380 2.250 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)COc1c(F)cccc1F ZINC000598153427 346300399 /nfs/dbraw/zinc/30/03/99/346300399.db2.gz KKNIUGKWYZZPRG-IUCAKERBSA-N 0 3 268.263 2.008 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000598343931 346332141 /nfs/dbraw/zinc/33/21/41/346332141.db2.gz YSVCFMBHZAFJPQ-MRXNPFEDSA-N 0 3 297.402 2.190 20 30 CEEDHN CC(C#N)C(=O)N1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC000598228667 346310834 /nfs/dbraw/zinc/31/08/34/346310834.db2.gz VSEBLYQZBXXVDQ-NOZJJQNGSA-N 0 3 280.274 2.024 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)Cc1cccc(C#N)c1 ZINC000598265970 346316720 /nfs/dbraw/zinc/31/67/20/346316720.db2.gz XGLAJFUDDGUPOZ-HNNXBMFYSA-N 0 3 299.418 2.337 20 30 CEEDHN C[C@@H]1CN(CCCOc2cccc(C#N)c2)CCCO1 ZINC000061918396 362698794 /nfs/dbraw/zinc/69/87/94/362698794.db2.gz BETFMFSYEZNOBW-CQSZACIVSA-N 0 3 274.364 2.438 20 30 CEEDHN CC(C)COC1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598585479 346377303 /nfs/dbraw/zinc/37/73/03/346377303.db2.gz DUTAJGUAHRMNAC-AWEZNQCLSA-N 0 3 282.428 2.424 20 30 CEEDHN CC(C)(C)CCN1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598585463 346377338 /nfs/dbraw/zinc/37/73/38/346377338.db2.gz DMXJERKSDRXLBW-OAHLLOKOSA-N 0 3 295.471 2.341 20 30 CEEDHN Cn1cncc1[C@H]1CCCCN1C[C@H](O)CC(C)(C)C#N ZINC000598589179 346378274 /nfs/dbraw/zinc/37/82/74/346378274.db2.gz DVOPHFRDKPZPMR-ZIAGYGMSSA-N 0 3 290.411 2.248 20 30 CEEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(O)c1 ZINC000598600825 346382018 /nfs/dbraw/zinc/38/20/18/346382018.db2.gz KJLOVDCEGISPFQ-SMDDNHRTSA-N 0 3 262.353 2.344 20 30 CEEDHN CCn1cc(CN(C[C@@H](O)CC(C)(C)C#N)C(C)C)cn1 ZINC000598623832 346386960 /nfs/dbraw/zinc/38/69/60/346386960.db2.gz STXRMPHLQWKFHQ-HNNXBMFYSA-N 0 3 292.427 2.414 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1COCc2ccccc21 ZINC000598727195 346409855 /nfs/dbraw/zinc/40/98/55/346409855.db2.gz DQHFYQKMSMVJLJ-DZGCQCFKSA-N 0 3 274.364 2.148 20 30 CEEDHN CC(C)Oc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cn1 ZINC000598715467 346406608 /nfs/dbraw/zinc/40/66/08/346406608.db2.gz RDVSDBDMNGKKCL-AWEZNQCLSA-N 0 3 291.395 2.259 20 30 CEEDHN C=CCSCCNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000598979493 346441450 /nfs/dbraw/zinc/44/14/50/346441450.db2.gz XNSHBEYPLXXRNA-AWEZNQCLSA-N 0 3 297.468 2.222 20 30 CEEDHN CCC(C#N)(CC)C(=O)NCCN1CCC[C@H](C)C1 ZINC000599072611 346455809 /nfs/dbraw/zinc/45/58/09/346455809.db2.gz KSIFVXKNDDEXHT-ZDUSSCGKSA-N 0 3 265.401 2.164 20 30 CEEDHN CN(C(=O)c1cccc2c1CCNC2)[C@H]1CCC[C@H]1C#N ZINC000602597306 347093792 /nfs/dbraw/zinc/09/37/92/347093792.db2.gz ASKDEOJVTXENBG-LRDDRELGSA-N 0 3 283.375 2.097 20 30 CEEDHN N#Cc1cc(NCCN2CC[C@@H](O)C2)ccc1C(F)(F)F ZINC000599175457 346473328 /nfs/dbraw/zinc/47/33/28/346473328.db2.gz BTVQYYIGKNRSHI-GFCCVEGCSA-N 0 3 299.296 2.056 20 30 CEEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccc2c(c1)OCO2 ZINC000599350507 346504224 /nfs/dbraw/zinc/50/42/24/346504224.db2.gz SVYFGDATBHORFV-DGCLKSJQSA-N 0 3 288.347 2.121 20 30 CEEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000599349105 346504421 /nfs/dbraw/zinc/50/44/21/346504421.db2.gz DEPNECWRPNLWSL-RISCZKNCSA-N 0 3 289.335 2.300 20 30 CEEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccccc1[N+](=O)[O-] ZINC000599354626 346504714 /nfs/dbraw/zinc/50/47/14/346504714.db2.gz QTMLYEIBANBJPX-RYUDHWBXSA-N 0 3 289.335 2.300 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@@H](c2cccnc2)C2CC2)CC1 ZINC000599361811 346506802 /nfs/dbraw/zinc/50/68/02/346506802.db2.gz LBAVBSZKYFHZGD-HUUCEWRRSA-N 0 3 271.364 2.177 20 30 CEEDHN Cc1ccc(CN(C[C@H]2CCC(=O)N2)C(C)C)cc1C#N ZINC000599436371 346519533 /nfs/dbraw/zinc/51/95/33/346519533.db2.gz JNLWUVVMYYCUFV-MRXNPFEDSA-N 0 3 285.391 2.356 20 30 CEEDHN Cc1ccc(CN2CCC[C@@H](CO)[C@H]2C)cc1C#N ZINC000599437255 346520767 /nfs/dbraw/zinc/52/07/67/346520767.db2.gz QMUCUROCRVHTDG-HIFRSBDPSA-N 0 3 258.365 2.460 20 30 CEEDHN C=C[C@@H](C(=O)OC)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000599662219 346557678 /nfs/dbraw/zinc/55/76/78/346557678.db2.gz ZPZAYGCGGKDMTD-INIZCTEOSA-N 0 3 290.407 2.298 20 30 CEEDHN CCC1(N2CCOCC2)CCN([C@@H](C)CCC#N)CC1 ZINC000599664087 346558500 /nfs/dbraw/zinc/55/85/00/346558500.db2.gz MSOFDNAKWCFTJG-HNNXBMFYSA-N 0 3 279.428 2.255 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCCC2(CC2)CC1 ZINC000599673629 346560414 /nfs/dbraw/zinc/56/04/14/346560414.db2.gz RVPZZRUJJTYHRY-HNNXBMFYSA-N 0 3 277.412 2.307 20 30 CEEDHN N#CCc1cccc2c1CCN(C[C@H]1CCNC(=O)CC1)C2 ZINC000599677710 346562721 /nfs/dbraw/zinc/56/27/21/346562721.db2.gz KBZJPGBGQLNNBU-CQSZACIVSA-N 0 3 297.402 2.027 20 30 CEEDHN CC1(CN2CCc3c(CC#N)cccc3C2)COC1 ZINC000599679494 346563110 /nfs/dbraw/zinc/56/31/10/346563110.db2.gz UYHATNKRNMADEZ-UHFFFAOYSA-N 0 3 256.349 2.147 20 30 CEEDHN C=CC[C@@H]1CCN(Cc2cccc(C(=O)OC)n2)C1 ZINC000599528071 346532784 /nfs/dbraw/zinc/53/27/84/346532784.db2.gz AXLMVLDGOZQELP-GFCCVEGCSA-N 0 3 260.337 2.266 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599589528 346543087 /nfs/dbraw/zinc/54/30/87/346543087.db2.gz MPQKDDWYXMCLDI-RDBSUJKOSA-N 0 3 283.412 2.223 20 30 CEEDHN Cc1cc(CN2C[C@@H]3CCC[C@]3(CO)C2)ccc1C#N ZINC000599638554 346550994 /nfs/dbraw/zinc/55/09/94/346550994.db2.gz NMMKOZMPQYBJIK-DLBZAZTESA-N 0 3 270.376 2.461 20 30 CEEDHN Cc1ccc(CN2C[C@@H]3CCC[C@]3(CO)C2)cc1C#N ZINC000599638721 346551258 /nfs/dbraw/zinc/55/12/58/346551258.db2.gz PBLLSLOZKCRVFB-DLBZAZTESA-N 0 3 270.376 2.461 20 30 CEEDHN CCC(C#N)(CC)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000600084750 346595414 /nfs/dbraw/zinc/59/54/14/346595414.db2.gz FVQDZCJPLALECT-KGLIPLIRSA-N 0 3 277.412 2.449 20 30 CEEDHN COc1cc(CN(C)CC2(C)COC2)ccc1C#N ZINC000600188846 346618698 /nfs/dbraw/zinc/61/86/98/346618698.db2.gz FBQQSCMFNZQBJU-UHFFFAOYSA-N 0 3 260.337 2.035 20 30 CEEDHN CCC(C#N)C(=O)NC[C@H](C(=O)OC)C1CCCCC1 ZINC000600409287 346638756 /nfs/dbraw/zinc/63/87/56/346638756.db2.gz NNTAUKANBPCARV-YPMHNXCESA-N 0 3 280.368 2.022 20 30 CEEDHN CCC(C#N)(CC)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600470950 346642644 /nfs/dbraw/zinc/64/26/44/346642644.db2.gz QEDOGDKHLBWIMD-CQSZACIVSA-N 0 3 277.412 2.449 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000600997671 346728723 /nfs/dbraw/zinc/72/87/23/346728723.db2.gz JOXJXEXHQCOVLF-CYBMUJFWSA-N 0 3 275.396 2.061 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@@H]2COc3ccc(Cl)cc32)CC1 ZINC000600731291 346680065 /nfs/dbraw/zinc/68/00/65/346680065.db2.gz QPVXACKETMFGOZ-WCQYABFASA-N 0 3 292.766 2.418 20 30 CEEDHN Cc1c(CNC[C@H](O)CC2(C#N)CC2)cccc1[N+](=O)[O-] ZINC000600735934 346681123 /nfs/dbraw/zinc/68/11/23/346681123.db2.gz WKLLFEZOWIMSSZ-CYBMUJFWSA-N 0 3 289.335 2.048 20 30 CEEDHN N#CC1(C[C@@H](O)CNCC2(C#N)CCCCC2)CC1 ZINC000600759251 346684850 /nfs/dbraw/zinc/68/48/50/346684850.db2.gz ZSJCDTCNSYSXOY-CYBMUJFWSA-N 0 3 261.369 2.105 20 30 CEEDHN COc1ccc([C@@H]2CCN(C(=O)C(C)C#N)C2)cc1F ZINC000600775682 346687883 /nfs/dbraw/zinc/68/78/83/346687883.db2.gz NJYNHOOVJQRECG-CMPLNLGQSA-N 0 3 276.311 2.310 20 30 CEEDHN Cn1nc2c(c1CNCC(C)(C)CC#N)CCCC2 ZINC000601127738 346762453 /nfs/dbraw/zinc/76/24/53/346762453.db2.gz OQILBURXGXYVJF-UHFFFAOYSA-N 0 3 260.385 2.328 20 30 CEEDHN CN(C(=O)c1ccccc1CC#N)[C@@H]1CCN(C2CC2)C1 ZINC000601152845 346771247 /nfs/dbraw/zinc/77/12/47/346771247.db2.gz HJAWPIVACZRSJT-OAHLLOKOSA-N 0 3 283.375 2.061 20 30 CEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C1(C#N)CC2(CC2)C1 ZINC000601011005 346731765 /nfs/dbraw/zinc/73/17/65/346731765.db2.gz MFHZJZXASCXLOM-KBPBESRZSA-N 0 3 289.423 2.307 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(CCN(C)C)C1CC1 ZINC000356304120 370650897 /nfs/dbraw/zinc/65/08/97/370650897.db2.gz UQRPPDDCTFWKPX-UHFFFAOYSA-N 0 3 271.364 2.033 20 30 CEEDHN C[C@H](CNc1cc(C#N)nc(C2CC2)n1)N1CCCC[C@H]1C ZINC000601103849 346753566 /nfs/dbraw/zinc/75/35/66/346753566.db2.gz JQZQOUSWESIVSS-CHWSQXEVSA-N 0 3 299.422 2.322 20 30 CEEDHN C[C@H](CCC#N)CN1CCN(c2cccc(C#N)n2)CC1 ZINC000602616569 347105023 /nfs/dbraw/zinc/10/50/23/347105023.db2.gz LWUOFDUKEBRAFZ-CQSZACIVSA-N 0 3 283.379 2.015 20 30 CEEDHN C=CCCCNCc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602643900 347120092 /nfs/dbraw/zinc/12/00/92/347120092.db2.gz OORRHHWRRZTKMJ-UHFFFAOYSA-N 0 3 279.384 2.431 20 30 CEEDHN C[C@H](CCC#N)CN1C[C@H](C)OC2(CCOCC2)C1 ZINC000602645708 347121312 /nfs/dbraw/zinc/12/13/12/347121312.db2.gz YYTIDTOSNHDRPP-KGLIPLIRSA-N 0 3 266.385 2.196 20 30 CEEDHN CC(C)[C@@H](NCc1cccc(C#N)n1)C1(CO)CCC1 ZINC000602670124 347134565 /nfs/dbraw/zinc/13/45/65/347134565.db2.gz APQPQSAIPFRXPE-OAHLLOKOSA-N 0 3 273.380 2.230 20 30 CEEDHN Cn1cc(CCCNCC2(C#N)CCCCC2)cn1 ZINC000602719017 347168862 /nfs/dbraw/zinc/16/88/62/347168862.db2.gz NMBATAJHROFNNF-UHFFFAOYSA-N 0 3 260.385 2.416 20 30 CEEDHN CO[C@@](C)([C@H](C)NCc1cccc(C#N)n1)C1CC1 ZINC000602691355 347149624 /nfs/dbraw/zinc/14/96/24/347149624.db2.gz SBXHFYYSUXLXLZ-NHYWBVRUSA-N 0 3 259.353 2.246 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCN(c3ccc(F)cc3)C2)n1 ZINC000602691539 347149669 /nfs/dbraw/zinc/14/96/69/347149669.db2.gz DHEUMXJPCYSYQZ-MRXNPFEDSA-N 0 3 296.349 2.461 20 30 CEEDHN COC(=O)c1cc(CNCC(C)(C)CC#N)[nH]c1C ZINC000602691731 347150029 /nfs/dbraw/zinc/15/00/29/347150029.db2.gz RBRQUCLRYJADQU-UHFFFAOYSA-N 0 3 263.341 2.139 20 30 CEEDHN C[C@H](C[C@@H]1CCCC(=O)N1)NCC1(C#N)CCCCC1 ZINC000602719347 347169180 /nfs/dbraw/zinc/16/91/80/347169180.db2.gz PCDGFOGXZHXQGW-KGLIPLIRSA-N 0 3 277.412 2.497 20 30 CEEDHN C[C@H](Cc1ccccn1)NCc1cccc(C#N)n1 ZINC000602704287 347159239 /nfs/dbraw/zinc/15/92/39/347159239.db2.gz FSQKWELBOWYZJK-GFCCVEGCSA-N 0 3 252.321 2.069 20 30 CEEDHN C=CCCC(C)(C)NCc1cc(C(=O)OC)no1 ZINC000602718465 347168383 /nfs/dbraw/zinc/16/83/83/347168383.db2.gz ZSLUSSFJNKBQKG-UHFFFAOYSA-N 0 3 252.314 2.296 20 30 CEEDHN C[C@@H]1OCC[C@@H]1CN1CCN(c2ccccc2C#N)CC1 ZINC000602769847 347190437 /nfs/dbraw/zinc/19/04/37/347190437.db2.gz IYWMBVMAELDMBW-GOEBONIOSA-N 0 3 285.391 2.105 20 30 CEEDHN N#CCC1(CN(CCO)CCc2ccccc2)CC1 ZINC000602787378 347198314 /nfs/dbraw/zinc/19/83/14/347198314.db2.gz RBWOVOPDKVMVQQ-UHFFFAOYSA-N 0 3 258.365 2.217 20 30 CEEDHN N#CCC1(CN2CCC[C@H](c3nncn3C3CC3)C2)CC1 ZINC000602800176 347203825 /nfs/dbraw/zinc/20/38/25/347203825.db2.gz WJSWHADXRDLYJH-ZDUSSCGKSA-N 0 3 285.395 2.486 20 30 CEEDHN N#CCC1(CN2CCSC3(CCOCC3)C2)CC1 ZINC000602810192 347209288 /nfs/dbraw/zinc/20/92/88/347209288.db2.gz DWZGAKIVPWMPGQ-UHFFFAOYSA-N 0 3 266.410 2.278 20 30 CEEDHN N#C[C@@H]1CCC[C@@]2(C1)NC(=N)Nc1nc3ccccc3n12 ZINC000602757250 347185915 /nfs/dbraw/zinc/18/59/15/347185915.db2.gz JITQXKHFAGYQKC-MEBBXXQBSA-N 0 3 280.335 2.353 20 30 CEEDHN N#CCC1(CN2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000602756898 347186061 /nfs/dbraw/zinc/18/60/61/347186061.db2.gz AWRWRDAJLRZFGQ-UHFFFAOYSA-N 0 3 275.396 2.015 20 30 CEEDHN CC(C)(C[C@@H]1CCCN(CC2(CC#N)CC2)C1)C(N)=O ZINC000602837397 347218838 /nfs/dbraw/zinc/21/88/38/347218838.db2.gz WEEKDPWFVBASAU-ZDUSSCGKSA-N 0 3 277.412 2.294 20 30 CEEDHN N#CCC1(CN2CC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000602853260 347225458 /nfs/dbraw/zinc/22/54/58/347225458.db2.gz WCXXCCYWRSXXQQ-MRXNPFEDSA-N 0 3 297.402 2.319 20 30 CEEDHN C[C@@H]1CN(CCc2ccccc2)C[C@@H](C)N1CC#N ZINC000602853002 347225483 /nfs/dbraw/zinc/22/54/83/347225483.db2.gz FTXDGSJJQTXSLM-HUUCEWRRSA-N 0 3 257.381 2.147 20 30 CEEDHN CCN1[C@H](C)CN(Cc2cccc(C#N)c2)C[C@@H]1C ZINC000602874540 347235284 /nfs/dbraw/zinc/23/52/84/347235284.db2.gz PKVOKISCHJBGHS-OKILXGFUSA-N 0 3 257.381 2.473 20 30 CEEDHN Cc1cnn(CCN2CCC(c3ccc(C#N)cn3)CC2)c1 ZINC000602905760 347243385 /nfs/dbraw/zinc/24/33/85/347243385.db2.gz AVPFORUBTNFZIX-UHFFFAOYSA-N 0 3 295.390 2.338 20 30 CEEDHN COC(=O)[C@@H]1CCN(CC2(CC#N)CC2)[C@H]2CCC[C@@H]21 ZINC000602913782 347245373 /nfs/dbraw/zinc/24/53/73/347245373.db2.gz AFCRDYDOJWRZGG-MCIONIFRSA-N 0 3 276.380 2.344 20 30 CEEDHN N#Cc1cc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)ccn1 ZINC000603125876 347292188 /nfs/dbraw/zinc/29/21/88/347292188.db2.gz KFVGCXBSXJYRCH-HUUCEWRRSA-N 0 3 299.378 2.092 20 30 CEEDHN COC[C@]1(C(=O)OC(C)(C)C)CCN([C@H](C)CCC#N)C1 ZINC000602962964 347258462 /nfs/dbraw/zinc/25/84/62/347258462.db2.gz YDNFDVVBGXJVMU-CJNGLKHVSA-N 0 3 296.411 2.359 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)Nc1cc(F)cc(C#N)c1 ZINC000603073864 347281977 /nfs/dbraw/zinc/28/19/77/347281977.db2.gz WLGZBTXHWUZPMW-UHFFFAOYSA-N 0 3 278.331 2.159 20 30 CEEDHN COCc1cc(C#N)ccc1N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000603384524 347354672 /nfs/dbraw/zinc/35/46/72/347354672.db2.gz SUMWLZXJDPFEQR-BETUJISGSA-N 0 3 273.380 2.233 20 30 CEEDHN C=C(Cl)COc1ccc([C@@H](C)NC[C@@H](O)COC)cc1 ZINC000129735714 365890591 /nfs/dbraw/zinc/89/05/91/365890591.db2.gz BLYJDOLQVCVSRR-TZMCWYRMSA-N 0 3 299.798 2.476 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(OC)cc1OC(F)F ZINC000680484162 539565082 /nfs/dbraw/zinc/56/50/82/539565082.db2.gz GIOONANFSYIUHM-NSHDSACASA-N 0 3 287.306 2.323 20 30 CEEDHN N#Cc1ccc(OCCN2CCC[C@H](n3ccnc3)C2)cc1 ZINC000609157502 347629308 /nfs/dbraw/zinc/62/93/08/347629308.db2.gz XKBQELFSUMVYCA-INIZCTEOSA-N 0 3 296.374 2.471 20 30 CEEDHN N#Cc1cccc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000609391345 347638327 /nfs/dbraw/zinc/63/83/27/347638327.db2.gz XFJMVJUNEMFENB-OAHLLOKOSA-N 0 3 284.363 2.164 20 30 CEEDHN COc1ccc(OC2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000609920158 347655622 /nfs/dbraw/zinc/65/56/22/347655622.db2.gz OFKHBVKHOGNWJK-LBPRGKRZSA-N 0 3 288.347 2.225 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCC2(C1)CCCCC2 ZINC000129936237 365908552 /nfs/dbraw/zinc/90/85/52/365908552.db2.gz GMAKJGCIPFZZJX-CYBMUJFWSA-N 0 3 250.386 2.333 20 30 CEEDHN Cc1csc(=O)n1CCN[C@@H](C)c1cccc(C#N)c1 ZINC000611388186 347771927 /nfs/dbraw/zinc/77/19/27/347771927.db2.gz YISCTEYGIDUBCN-LBPRGKRZSA-N 0 3 287.388 2.441 20 30 CEEDHN C[C@H](Cn1cncn1)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611392436 347772426 /nfs/dbraw/zinc/77/24/26/347772426.db2.gz RBCLJHHOGVCHDT-WBMJQRKESA-N 0 3 281.363 2.205 20 30 CEEDHN CCc1nncn1CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393182 347772764 /nfs/dbraw/zinc/77/27/64/347772764.db2.gz MXEXNWMWLODNFY-MRXNPFEDSA-N 0 3 295.390 2.379 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@H]3CCC(F)(F)C3)n2c1 ZINC000611464459 347782003 /nfs/dbraw/zinc/78/20/03/347782003.db2.gz ZXLLTVWGGZOSNX-NSHDSACASA-N 0 3 276.290 2.483 20 30 CEEDHN N#Cc1csc(CNC[C@H](CO)Cc2ccco2)c1 ZINC000610890023 347720820 /nfs/dbraw/zinc/72/08/20/347720820.db2.gz PUDYORNOIVNUHL-GFCCVEGCSA-N 0 3 276.361 2.154 20 30 CEEDHN CCC(CC)(CNCc1ccnc(C#N)c1)C(=O)OC ZINC000611209855 347751918 /nfs/dbraw/zinc/75/19/18/347751918.db2.gz 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/nfs/dbraw/zinc/06/43/98/363064398.db2.gz CXHCOGFEDGCXSX-HNNXBMFYSA-N 0 3 288.391 2.420 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@H]2CCC[C@H](C)C2)C1=O ZINC000337121318 366026794 /nfs/dbraw/zinc/02/67/94/366026794.db2.gz AELSBEIQHOUTTE-IHRRRGAJSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCN1CC[C@H](N2CC[C@H](CC(C)C)C2)C1=O ZINC000337169258 366049342 /nfs/dbraw/zinc/04/93/42/366049342.db2.gz DODQBWWBBBCKHE-KGLIPLIRSA-N 0 3 250.386 2.141 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@H]3CC[C@@H](F)C3)n2c1 ZINC000336493231 213365655 /nfs/dbraw/zinc/36/56/55/213365655.db2.gz OFLPRCORATYYDQ-NEPJUHHUSA-N 0 3 258.300 2.186 20 30 CEEDHN CCN1CC[C@H](N(C)C(=O)c2sccc2C#N)[C@H](C)C1 ZINC000122260042 187022867 /nfs/dbraw/zinc/02/28/67/187022867.db2.gz OCHJCAFOIYHFPO-YPMHNXCESA-N 0 3 291.420 2.422 20 30 CEEDHN C[C@@H]1CCCN(CCNCc2cnc3ccc(C#N)cn23)C1 ZINC000123304683 187083967 /nfs/dbraw/zinc/08/39/67/187083967.db2.gz CYJCCNSOKFMDLO-CQSZACIVSA-N 0 3 297.406 2.027 20 30 CEEDHN C=CCN(C[C@@H](O)COc1ccccc1C)C1CC1 ZINC000271497154 191175113 /nfs/dbraw/zinc/17/51/13/191175113.db2.gz VJVJZRGRPXYCJQ-OAHLLOKOSA-N 0 3 261.365 2.385 20 30 CEEDHN Cc1nc(NC[C@]2(N(C)C)CCSC2)ccc1C#N ZINC000292098715 198162238 /nfs/dbraw/zinc/16/22/38/198162238.db2.gz ZDUXKJMIONRUDU-CQSZACIVSA-N 0 3 276.409 2.111 20 30 CEEDHN COc1ccc(CN2CC[C@H](c3cnn(C)c3)C2)cc1C#N ZINC000135084657 187794408 /nfs/dbraw/zinc/79/44/08/187794408.db2.gz VYQOJJJSDYFSDP-AWEZNQCLSA-N 0 3 296.374 2.290 20 30 CEEDHN C=C(CNC(=O)N[C@H]1CCCN(C)C1)c1ccccc1 ZINC000672753985 539934977 /nfs/dbraw/zinc/93/49/77/539934977.db2.gz GADZVLSRMMFXNS-HNNXBMFYSA-N 0 3 273.380 2.093 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(N2CCc3ccccc32)CC1 ZINC000669694899 539945056 /nfs/dbraw/zinc/94/50/56/539945056.db2.gz FOUMKIMGQVNVCZ-SFHVURJKSA-N 0 3 286.419 2.451 20 30 CEEDHN C#CCSCCNCc1cnn(-c2ccccc2)c1 ZINC000152935585 188054060 /nfs/dbraw/zinc/05/40/60/188054060.db2.gz SRWVPJYDQQCXKH-UHFFFAOYSA-N 0 3 271.389 2.328 20 30 CEEDHN CC#CCCN1CCC(NC(=O)c2ccoc2C)CC1 ZINC000155375079 188202432 /nfs/dbraw/zinc/20/24/32/188202432.db2.gz CHDBSHKBINVENI-UHFFFAOYSA-N 0 3 274.364 2.196 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C[C@H](C)CC(C)C)C1=O ZINC000337229107 366091044 /nfs/dbraw/zinc/09/10/44/366091044.db2.gz ROHHMQZCLPJPJT-ZIAGYGMSSA-N 0 3 252.402 2.387 20 30 CEEDHN C[C@@H](c1cccc(O)c1)N(C)CCC(=O)N(C)CCC#N ZINC000131868522 366093665 /nfs/dbraw/zinc/09/36/65/366093665.db2.gz LBTTZQWDULAORO-ZDUSSCGKSA-N 0 3 289.379 2.147 20 30 CEEDHN CCC[C@H](C#N)NC(=O)[C@H](C)N1CCCCCC1 ZINC000074250933 363314602 /nfs/dbraw/zinc/31/46/02/363314602.db2.gz QEAKUTILRDFAGA-QWHCGFSZSA-N 0 3 251.374 2.059 20 30 CEEDHN C[C@H](C(=O)NCc1cccc(C#N)c1)N1CCCCCC1 ZINC000074435237 363338410 /nfs/dbraw/zinc/33/84/10/363338410.db2.gz YVGSDWVPEYLNCC-CQSZACIVSA-N 0 3 285.391 2.439 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000336401752 213258885 /nfs/dbraw/zinc/25/88/85/213258885.db2.gz JNJMILAYEFSSSC-OAHLLOKOSA-N 0 3 283.375 2.175 20 30 CEEDHN CC(C#N)C(=O)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000337691260 366169642 /nfs/dbraw/zinc/16/96/42/366169642.db2.gz MRNWWWRGUJGDRB-ABAIWWIYSA-N 0 3 292.766 2.317 20 30 CEEDHN CN1CCC[C@@]2(CCN(C(=O)c3sccc3C#N)C2)C1 ZINC000336387665 213243889 /nfs/dbraw/zinc/24/38/89/213243889.db2.gz PZDDPTJHMRLOME-OAHLLOKOSA-N 0 3 289.404 2.178 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCCC1)N1[C@H](C)CC[C@@H]1C ZINC000338003165 366190691 /nfs/dbraw/zinc/19/06/91/366190691.db2.gz HENQWIPITZUJBM-FRRDWIJNSA-N 0 3 263.385 2.200 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1CCC[C@@H]1CN(C)C ZINC000338172206 366219284 /nfs/dbraw/zinc/21/92/84/366219284.db2.gz REEUSHFHHQZDMR-CQSZACIVSA-N 0 3 271.364 2.033 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)c1cccc(C#N)c1 ZINC000074917257 363416155 /nfs/dbraw/zinc/41/61/55/363416155.db2.gz PRWARZFUIDZNDK-UHFFFAOYSA-N 0 3 271.364 2.116 20 30 CEEDHN CC(C)C[C@H]1COCCN1CCCSCC#N ZINC000074990955 363430872 /nfs/dbraw/zinc/43/08/72/363430872.db2.gz YACIYLZYTNXWBA-ZDUSSCGKSA-N 0 3 256.415 2.380 20 30 CEEDHN C=CCOCCNCc1c(C)nn(-c2ccccn2)c1C ZINC000669995961 540066609 /nfs/dbraw/zinc/06/66/09/540066609.db2.gz PYGCEMDBRBDLBX-UHFFFAOYSA-N 0 3 286.379 2.176 20 30 CEEDHN CC(C)N1C[C@H](N[C@H](C)c2cccc(C#N)c2)CC1=O ZINC000271862203 191375236 /nfs/dbraw/zinc/37/52/36/191375236.db2.gz KRWWSJXEQPIUMJ-IUODEOHRSA-N 0 3 271.364 2.218 20 30 CEEDHN CC(C)N1C[C@H](N[C@H](C)c2ccc(C#N)cc2)CC1=O ZINC000271868208 191378468 /nfs/dbraw/zinc/37/84/68/191378468.db2.gz LZGDFBLMQZRMLL-IUODEOHRSA-N 0 3 271.364 2.218 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)NCC1=CCN(C)CC1 ZINC000271903729 191399960 /nfs/dbraw/zinc/39/99/60/191399960.db2.gz HDJCSXXFIPRROP-UHFFFAOYSA-N 0 3 284.363 2.250 20 30 CEEDHN N#Cc1ccc(CNC[C@@H]2COC3(CCCC3)O2)s1 ZINC000271472067 283145948 /nfs/dbraw/zinc/14/59/48/283145948.db2.gz VVGFXJVOFHFORS-LLVKDONJSA-N 0 3 278.377 2.395 20 30 CEEDHN C[C@@H](NC(=O)Nc1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000273016590 192020615 /nfs/dbraw/zinc/02/06/15/192020615.db2.gz WRRGVKMRBLUHOV-GFCCVEGCSA-N 0 3 284.363 2.330 20 30 CEEDHN N#Cc1ccc(NC(=O)C23CCCN2CCC3)cc1 ZINC000334151923 283175287 /nfs/dbraw/zinc/17/52/87/283175287.db2.gz LRVLLGGMAAGGRF-UHFFFAOYSA-N 0 3 255.321 2.125 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H](n3cccn3)C2)cc1 ZINC000378154112 283188996 /nfs/dbraw/zinc/18/89/96/283188996.db2.gz XEVZBBVTKOJWMO-IAGOWNOFSA-N 0 3 296.374 2.125 20 30 CEEDHN C=CCCCN(C)CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000076734040 363544155 /nfs/dbraw/zinc/54/41/55/363544155.db2.gz GZJZZVXVCZJYFA-KBPBESRZSA-N 0 3 252.402 2.389 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCC1CC1)C(C)C ZINC000079094132 363577307 /nfs/dbraw/zinc/57/73/07/363577307.db2.gz BWWWTXQAHUYAOP-HNNXBMFYSA-N 0 3 279.428 2.394 20 30 CEEDHN CS[C@@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000294434558 199038353 /nfs/dbraw/zinc/03/83/53/199038353.db2.gz QAQYCCBEVZCENP-CQSZACIVSA-N 0 3 262.378 2.374 20 30 CEEDHN CC(C)(CO)CCNCc1ccc(C#N)cc1F ZINC000294777446 199178381 /nfs/dbraw/zinc/17/83/81/199178381.db2.gz KUMCYXCVXXKDRB-UHFFFAOYSA-N 0 3 250.317 2.196 20 30 CEEDHN CN(CCC1CC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000135264016 366418062 /nfs/dbraw/zinc/41/80/62/366418062.db2.gz BVQNFLFJMYUGJG-INIZCTEOSA-N 0 3 283.375 2.395 20 30 CEEDHN COCC[C@]1(NCC#Cc2ccc(Cl)cc2)CCOC1 ZINC000578214520 366461178 /nfs/dbraw/zinc/46/11/78/366461178.db2.gz DIIDLCXXCKJTIZ-INIZCTEOSA-N 0 3 293.794 2.477 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000136214312 366503029 /nfs/dbraw/zinc/50/30/29/366503029.db2.gz CHSIXIYXEILKAM-JSGCOSHPSA-N 0 3 253.390 2.019 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC[C@H](C#N)CCC#N ZINC000578521969 366507309 /nfs/dbraw/zinc/50/73/09/366507309.db2.gz VASOOZGTIOMVIB-ILXRZTDVSA-N 0 3 262.401 2.140 20 30 CEEDHN C=CCOc1cccc(NC(=O)N(C)CCN(C)C)c1 ZINC000080170762 363646422 /nfs/dbraw/zinc/64/64/22/363646422.db2.gz JIYQIWUHDCVGIB-UHFFFAOYSA-N 0 3 277.368 2.277 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)CCN1C ZINC000336003300 212804185 /nfs/dbraw/zinc/80/41/85/212804185.db2.gz HXFXEYWSVVEVLB-GXFFZTMASA-N 0 3 290.342 2.302 20 30 CEEDHN C=CCOCCN[C@H](C)c1ccccc1-n1ccnn1 ZINC000671759999 540504867 /nfs/dbraw/zinc/50/48/67/540504867.db2.gz IKKZWQKDVBAFMW-CYBMUJFWSA-N 0 3 272.352 2.121 20 30 CEEDHN Cn1cc(CN[C@@H](CO)CC2CCCCC2)cc1C#N ZINC000418119891 237295980 /nfs/dbraw/zinc/29/59/80/237295980.db2.gz AHJPREMIQFNVIF-OAHLLOKOSA-N 0 3 275.396 2.318 20 30 CEEDHN N#Cc1csc(CN[C@H]2CCN(CC(F)F)C2)c1 ZINC000418141149 237320661 /nfs/dbraw/zinc/32/06/61/237320661.db2.gz WMFBAXWFKJSBQB-JTQLQIEISA-N 0 3 271.336 2.049 20 30 CEEDHN CCC#C[C@@H](C)N1CC[C@@H](OCc2ccncc2)C1 ZINC000672555584 540626726 /nfs/dbraw/zinc/62/67/26/540626726.db2.gz VCSSPFFPCBKAEH-GDBMZVCRSA-N 0 3 258.365 2.474 20 30 CEEDHN CC1(C)C[C@H](NCc2cnc3c(C#N)cnn3c2)C(C)(C)O1 ZINC000579007927 366579866 /nfs/dbraw/zinc/57/98/66/366579866.db2.gz HVLCOHVGOTWSCI-ZDUSSCGKSA-N 0 3 299.378 2.037 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@H](C(C)C)N(C)C ZINC000151153579 366625913 /nfs/dbraw/zinc/62/59/13/366625913.db2.gz WVIZNBQUMXYBHT-INIZCTEOSA-N 0 3 290.407 2.454 20 30 CEEDHN COc1cccc2c1CCN(CCOCCC#N)CC2 ZINC000339134393 366668353 /nfs/dbraw/zinc/66/83/53/366668353.db2.gz VHPZUTPLNLOEKV-UHFFFAOYSA-N 0 3 274.364 2.026 20 30 CEEDHN COc1ccc([C@@H](O)CNCc2ccc(C#N)s2)cc1 ZINC000176945250 189016322 /nfs/dbraw/zinc/01/63/22/189016322.db2.gz CGKCVMKPWKFBPG-HNNXBMFYSA-N 0 3 288.372 2.452 20 30 CEEDHN C=CCNC(=O)CN1CC[C@@H](c2ccccc2)[C@H]1C ZINC000177540481 189055853 /nfs/dbraw/zinc/05/58/53/189055853.db2.gz PIEHLLYDAANMQM-UKRRQHHQSA-N 0 3 258.365 2.167 20 30 CEEDHN C=CCN(CC=C)[C@H](CNCc1cn[nH]c1)C(C)C ZINC000674711241 540770540 /nfs/dbraw/zinc/77/05/40/540770540.db2.gz XNLLQFCTLKOLIA-OAHLLOKOSA-N 0 3 262.401 2.198 20 30 CEEDHN COCCOC[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000180011163 189231866 /nfs/dbraw/zinc/23/18/66/189231866.db2.gz SFDPOEBYGATISY-LBPRGKRZSA-N 0 3 280.393 2.105 20 30 CEEDHN COc1cc(CN[C@@H]2C[C@@H]2C(F)F)ccc1C#N ZINC000342236881 216272559 /nfs/dbraw/zinc/27/25/59/216272559.db2.gz RFAXXLXBRKGMIQ-WDEREUQCSA-N 0 3 252.264 2.310 20 30 CEEDHN C#Cc1cccc(NC(=O)N(CCN(C)C)C(C)C)c1 ZINC000180679463 189269498 /nfs/dbraw/zinc/26/94/98/189269498.db2.gz JLRXTZYOTWSQEQ-UHFFFAOYSA-N 0 3 273.380 2.472 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCC1(C#N)CC1 ZINC000579789760 366701262 /nfs/dbraw/zinc/70/12/62/366701262.db2.gz NDWDDLUOMFZPLI-ZBFHGGJFSA-N 0 3 269.392 2.400 20 30 CEEDHN Cc1nn(-c2ccccc2)cc1CCCNC(=O)C(C)C#N ZINC000580364785 366778272 /nfs/dbraw/zinc/77/82/72/366778272.db2.gz QNZBWMLWKDFKES-CYBMUJFWSA-N 0 3 296.374 2.389 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC[C@H](Nc2ccccc2)C1 ZINC000678049471 541072544 /nfs/dbraw/zinc/07/25/44/541072544.db2.gz KQAKPHNKLZTAFF-JKSUJKDBSA-N 0 3 260.381 2.500 20 30 CEEDHN COc1ccc(CN2CCN(C)CC[C@@H]2C)cc1C#N ZINC000340198025 366800432 /nfs/dbraw/zinc/80/04/32/366800432.db2.gz ZCXKNQPCRPLWKJ-ZDUSSCGKSA-N 0 3 273.380 2.093 20 30 CEEDHN C=CCOc1ccc(CN2CCC[C@@H](CO)C2)cc1 ZINC000154621139 366782857 /nfs/dbraw/zinc/78/28/57/366782857.db2.gz IRKRFTAUFIDEIE-OAHLLOKOSA-N 0 3 261.365 2.456 20 30 CEEDHN Cc1nc(C(C#N)C(=O)Nc2ccccn2)sc1C ZINC000155660679 366821269 /nfs/dbraw/zinc/82/12/69/366821269.db2.gz XXAGVWCZAKWHLS-JTQLQIEISA-N 0 3 272.333 2.401 20 30 CEEDHN Cc1nc(C(C#N)C(=O)Nc2cccnc2)sc1C ZINC000155657819 366821390 /nfs/dbraw/zinc/82/13/90/366821390.db2.gz GDUSOCMMSAATFI-LLVKDONJSA-N 0 3 272.333 2.401 20 30 CEEDHN C#CCN(Cc1cccc(C(N)=O)c1)C1CCCC1 ZINC000155821034 366823527 /nfs/dbraw/zinc/82/35/27/366823527.db2.gz QAFQITKRNFMZCI-UHFFFAOYSA-N 0 3 256.349 2.163 20 30 CEEDHN C=CCCOCC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000678880948 541187477 /nfs/dbraw/zinc/18/74/77/541187477.db2.gz PXXGHOLXXXYJRN-OAHLLOKOSA-N 0 3 290.407 2.216 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N[C@H]1CCCN(C)C1 ZINC000678847425 541183084 /nfs/dbraw/zinc/18/30/84/541183084.db2.gz ZAAGITRSGVMHAY-STQMWFEESA-N 0 3 253.390 2.125 20 30 CEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(C#N)cs1 ZINC000084182649 363799950 /nfs/dbraw/zinc/79/99/50/363799950.db2.gz ZAMXOQYEWRYEJS-NWDGAFQWSA-N 0 3 291.420 2.470 20 30 CEEDHN COc1ccccc1C[C@H](C)N(C)C(=O)C(C)C#N ZINC000088202912 363882058 /nfs/dbraw/zinc/88/20/58/363882058.db2.gz AGGPXEROANCIKP-NEPJUHHUSA-N 0 3 260.337 2.244 20 30 CEEDHN COc1ccc(CNCC2(O)CCCCC2)cc1C#N ZINC000087824535 363871942 /nfs/dbraw/zinc/87/19/42/363871942.db2.gz NXSIXSGELZJNHI-UHFFFAOYSA-N 0 3 274.364 2.352 20 30 CEEDHN N#Cc1ccsc1NC(=O)CCN1CCCSCC1 ZINC000089985082 364028027 /nfs/dbraw/zinc/02/80/27/364028027.db2.gz HELHNYQIPYSWQH-UHFFFAOYSA-N 0 3 295.433 2.387 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000334696006 364194863 /nfs/dbraw/zinc/19/48/63/364194863.db2.gz IJQXYUMVCQLGMY-HIFRSBDPSA-N 0 3 284.363 2.035 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000094123152 364253684 /nfs/dbraw/zinc/25/36/84/364253684.db2.gz IXWTYJAHQISGEA-YIONKMFJSA-N 0 3 294.439 2.347 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000334992878 364319935 /nfs/dbraw/zinc/31/99/35/364319935.db2.gz WISHKHUJYHSLDE-GXTWGEPZSA-N 0 3 286.379 2.471 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000335045990 364397307 /nfs/dbraw/zinc/39/73/07/364397307.db2.gz UNDGGEKPESQLDS-CABZTGNLSA-N 0 3 262.284 2.315 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)[C@H](C)C2)CC1 ZINC000335245297 364672473 /nfs/dbraw/zinc/67/24/73/364672473.db2.gz JLIDWDNTWNLLRG-OKILXGFUSA-N 0 3 279.428 2.324 20 30 CEEDHN CCN1CCCC[C@@H]1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000104142532 364681352 /nfs/dbraw/zinc/68/13/52/364681352.db2.gz ATHAWLHXPYKQPB-MRXNPFEDSA-N 0 3 285.391 2.391 20 30 CEEDHN N#CCCC1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000335419998 364712285 /nfs/dbraw/zinc/71/22/85/364712285.db2.gz VDCADPZLPFVPJY-KRWDZBQOSA-N 0 3 297.402 2.416 20 30 CEEDHN Cc1cc(CN2CC[C@@H]3OCC[C@@H]3C2)ccc1C#N ZINC000335424870 364718182 /nfs/dbraw/zinc/71/81/82/364718182.db2.gz UKODTWZAFKSOLY-CVEARBPZSA-N 0 3 256.349 2.478 20 30 CEEDHN CN1CCC(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000335491774 364791334 /nfs/dbraw/zinc/79/13/34/364791334.db2.gz VAVJPFMEYNIVOZ-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN CC(C)[C@H]1CN(Cc2cc(C#N)cs2)CCN1C ZINC000335770275 364956637 /nfs/dbraw/zinc/95/66/37/364956637.db2.gz NIJOMZBQVSABRJ-CQSZACIVSA-N 0 3 263.410 2.392 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)[C@H](C)CN1C ZINC000335823402 365031954 /nfs/dbraw/zinc/03/19/54/365031954.db2.gz XBXIOPINOBMZIS-VXGBXAGGSA-N 0 3 261.344 2.222 20 30 CEEDHN C=CCOc1ccccc1CNCCC[S@](C)=O ZINC000116919062 365081065 /nfs/dbraw/zinc/08/10/65/365081065.db2.gz FZZAONSWUBZUCS-GOSISDBHSA-N 0 3 267.394 2.110 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H](Cc1ccccc1)C(C)C ZINC000275352717 193008139 /nfs/dbraw/zinc/00/81/39/193008139.db2.gz RCCCWLHAGFUBQR-INIZCTEOSA-N 0 3 295.448 2.444 20 30 CEEDHN C=CCCCN1CCN(Cc2nccn2C(F)F)CC1 ZINC000119005932 365198853 /nfs/dbraw/zinc/19/88/53/365198853.db2.gz VIHGKTPZCUDPTB-UHFFFAOYSA-N 0 3 284.354 2.362 20 30 CEEDHN C=CCSCCNC(=O)[C@H](CC)N(CC)CC ZINC000357313919 370811795 /nfs/dbraw/zinc/81/17/95/370811795.db2.gz QLXIORMWPMMWNT-LBPRGKRZSA-N 0 3 258.431 2.142 20 30 CEEDHN C[C@H]1CCN(C)CCN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000336003086 365275484 /nfs/dbraw/zinc/27/54/84/365275484.db2.gz PQJUGZSRVBZVGO-NSHDSACASA-N 0 3 290.342 2.255 20 30 CEEDHN Cn1ccnc1[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000335997516 365270482 /nfs/dbraw/zinc/27/04/82/365270482.db2.gz CDVOQFNMUUZTEU-LLVKDONJSA-N 0 3 272.377 2.343 20 30 CEEDHN CN(c1cccc(F)c1C#N)[C@H]1CCN(C2CC2)C1 ZINC000335968999 365233492 /nfs/dbraw/zinc/23/34/92/365233492.db2.gz DXGANYSUDXRABV-LBPRGKRZSA-N 0 3 259.328 2.370 20 30 CEEDHN CC(C)N(CC(=O)N[C@](C)(C#N)C(C)C)C1CCC1 ZINC000119710081 365313310 /nfs/dbraw/zinc/31/33/10/365313310.db2.gz PRCFAEJYMFXRJO-OAHLLOKOSA-N 0 3 265.401 2.304 20 30 CEEDHN C[C@@H](C(=O)N(C)[C@@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000336035878 365321457 /nfs/dbraw/zinc/32/14/57/365321457.db2.gz LJGVJTLHDCELJO-CZUORRHYSA-N 0 3 285.391 2.214 20 30 CEEDHN CC(C)N1CCC[C@H](NC(=O)c2cccc(F)c2C#N)C1 ZINC000336102105 365410258 /nfs/dbraw/zinc/41/02/58/365410258.db2.gz XXNRCTCAJUXHRI-LBPRGKRZSA-N 0 3 289.354 2.300 20 30 CEEDHN C=CCOc1cccc(CNC[C@@](C)(O)CSC)c1 ZINC000120696996 365463248 /nfs/dbraw/zinc/46/32/48/365463248.db2.gz GOPGKNVQPNYJAY-OAHLLOKOSA-N 0 3 281.421 2.455 20 30 CEEDHN C=CCNC(=O)CNc1c(C)c(CC)nc2ccccc21 ZINC000583340547 367035618 /nfs/dbraw/zinc/03/56/18/367035618.db2.gz ORIAFXIITDGLBW-UHFFFAOYSA-N 0 3 283.375 2.242 20 30 CEEDHN Cc1ccc(C#N)c(N(C)C[C@H]2CCCN(C)C2)n1 ZINC000161455754 367087600 /nfs/dbraw/zinc/08/76/00/367087600.db2.gz OROLUJSXSWEIBN-ZDUSSCGKSA-N 0 3 258.369 2.040 20 30 CEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000357834775 370830361 /nfs/dbraw/zinc/83/03/61/370830361.db2.gz SDCWDGRIYHLSSP-CHWSQXEVSA-N 0 3 291.420 2.236 20 30 CEEDHN CCc1ccc([C@@H](CNC(=O)[C@H](C)C#N)N(C)C)cc1 ZINC000357828133 370831137 /nfs/dbraw/zinc/83/11/37/370831137.db2.gz OEAYBNCRQXZAGF-IUODEOHRSA-N 0 3 273.380 2.128 20 30 CEEDHN CN(C)c1ccncc1CNCCc1cccc(C#N)c1 ZINC000341487668 367353393 /nfs/dbraw/zinc/35/33/93/367353393.db2.gz PIKFNDWJSDVRKL-UHFFFAOYSA-N 0 3 280.375 2.352 20 30 CEEDHN C=C1CC(C)(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000631674639 367480180 /nfs/dbraw/zinc/48/01/80/367480180.db2.gz HUIIHQMQHOBZCW-GASCZTMLSA-N 0 3 294.439 2.348 20 30 CEEDHN CCCNC(=O)C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000342697649 367488121 /nfs/dbraw/zinc/48/81/21/367488121.db2.gz SRNLFVDCRSRLBL-UHFFFAOYSA-N 0 3 299.418 2.491 20 30 CEEDHN C[C@H](Cn1cccn1)NC1(c2cccc(C#N)c2)CC1 ZINC000342811907 367551812 /nfs/dbraw/zinc/55/18/12/367551812.db2.gz WZKTUSJCQMKXPM-CYBMUJFWSA-N 0 3 266.348 2.422 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000342739452 367509685 /nfs/dbraw/zinc/50/96/85/367509685.db2.gz KWTSDKMOHBLRPL-WCVJEAGWSA-N 0 3 292.423 2.053 20 30 CEEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC000572497535 299374448 /nfs/dbraw/zinc/37/44/48/299374448.db2.gz SWDGGEYPGKKYIF-DZGCQCFKSA-N 0 3 293.374 2.018 20 30 CEEDHN CC[C@@H](C)N[C@@H](CNc1cnc(C#N)cn1)c1ccco1 ZINC000343245194 367722028 /nfs/dbraw/zinc/72/20/28/367722028.db2.gz BTHHCNAYIKDKOC-YPMHNXCESA-N 0 3 285.351 2.483 20 30 CEEDHN C[C@@H]1[C@H](Nc2nc3c(cc2C#N)CCC3)CCCN1C ZINC000343592383 367905505 /nfs/dbraw/zinc/90/55/05/367905505.db2.gz KWZQSPLCRSGQOV-BXUZGUMPSA-N 0 3 270.380 2.337 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cnc(CCC)s2)CC1 ZINC000173578779 367924361 /nfs/dbraw/zinc/92/43/61/367924361.db2.gz OCEZIHBNXDZVAJ-UHFFFAOYSA-N 0 3 293.436 2.476 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCCN1CCC ZINC000343563038 367886568 /nfs/dbraw/zinc/88/65/68/367886568.db2.gz GADLWXPTKIZZAL-ZBFHGGJFSA-N 0 3 282.428 2.206 20 30 CEEDHN CC(C#N)C(=O)NCCc1nc(-c2ccccn2)cs1 ZINC000343662671 367944432 /nfs/dbraw/zinc/94/44/32/367944432.db2.gz SABMBTQTXZNSNF-SNVBAGLBSA-N 0 3 286.360 2.023 20 30 CEEDHN COc1ccc(CNCC[S@@](=O)C(C)(C)C)cc1C#N ZINC000174404000 368019214 /nfs/dbraw/zinc/01/92/14/368019214.db2.gz LXGFEKKOLQLMIT-HXUWFJFHSA-N 0 3 294.420 2.204 20 30 CEEDHN CC(C)(C)[C@H]1CCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000344145750 368110699 /nfs/dbraw/zinc/11/06/99/368110699.db2.gz AMTXTHCOBPPTML-AWEZNQCLSA-N 0 3 290.411 2.010 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](C(C)(C)C)C1 ZINC000344205066 368115204 /nfs/dbraw/zinc/11/52/04/368115204.db2.gz HFYCGPGZDMDVBK-UONOGXRCSA-N 0 3 279.428 2.363 20 30 CEEDHN CC[S@](=O)[C@H]1CCC[C@H](NCc2ccc(C#N)o2)C1 ZINC000175863805 368184000 /nfs/dbraw/zinc/18/40/00/368184000.db2.gz AQUZTTZBMBXUDN-KLRAXDNASA-N 0 3 280.393 2.321 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)N1CCN2CCC1CC2 ZINC000633411782 368239228 /nfs/dbraw/zinc/23/92/28/368239228.db2.gz XRWJRNYQWQBZMA-UHFFFAOYSA-N 0 3 279.428 2.468 20 30 CEEDHN Cc1c(CN[C@@H](C)c2ccc(OCC#N)cc2)cnn1C ZINC000179085197 368322084 /nfs/dbraw/zinc/32/20/84/368322084.db2.gz VXRCTJGLKHODTB-LBPRGKRZSA-N 0 3 284.363 2.482 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)CCC2CC2)CC1 ZINC000179083247 368322241 /nfs/dbraw/zinc/32/22/41/368322241.db2.gz UYGPJBXLKAZCCU-UHFFFAOYSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000180897783 368401104 /nfs/dbraw/zinc/40/11/04/368401104.db2.gz QRAVKYLCCITPKX-OLZOCXBDSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCCN(C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000682436523 541664537 /nfs/dbraw/zinc/66/45/37/541664537.db2.gz MXYCHGINDXOJNC-UHFFFAOYSA-N 0 3 260.316 2.414 20 30 CEEDHN CCC(CC)(CNCc1ccc(C#N)o1)C(=O)OC ZINC000181569856 368471476 /nfs/dbraw/zinc/47/14/76/368471476.db2.gz LRGLJPGLARDHPA-UHFFFAOYSA-N 0 3 264.325 2.220 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000181432917 368454541 /nfs/dbraw/zinc/45/45/41/368454541.db2.gz MEESTWCCLQAWCH-PMPSAXMXSA-N 0 3 294.439 2.058 20 30 CEEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(C#N)cc1 ZINC000345873903 368464570 /nfs/dbraw/zinc/46/45/70/368464570.db2.gz JFLFPOCZRXLTIJ-DFBGVHRSSA-N 0 3 271.364 2.124 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)cn2)CC1 ZINC000181863965 368501695 /nfs/dbraw/zinc/50/16/95/368501695.db2.gz OYWCNIIJIGJWCA-UHFFFAOYSA-N 0 3 292.358 2.383 20 30 CEEDHN C=CCCCN[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000181789292 368495351 /nfs/dbraw/zinc/49/53/51/368495351.db2.gz YXSFYCCXHMRBLL-AWEZNQCLSA-N 0 3 267.394 2.328 20 30 CEEDHN CC[C@@H](NCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000182334153 368552867 /nfs/dbraw/zinc/55/28/67/368552867.db2.gz OQJAJHGRTSOHEO-CABCVRRESA-N 0 3 287.363 2.044 20 30 CEEDHN C=CCCC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000634089365 368537600 /nfs/dbraw/zinc/53/76/00/368537600.db2.gz HLDXMSFGNGIBAL-UHFFFAOYSA-N 0 3 262.357 2.055 20 30 CEEDHN CCN1C[C@@H](C)N(CCOc2ccccc2C#N)C[C@H]1C ZINC000346200235 368587830 /nfs/dbraw/zinc/58/78/30/368587830.db2.gz WMNXTFQCLQKPQZ-HUUCEWRRSA-N 0 3 287.407 2.352 20 30 CEEDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)CC2 ZINC000346228646 368600053 /nfs/dbraw/zinc/60/00/53/368600053.db2.gz ZKEFBCQFCPVOPH-IINYFYTJSA-N 0 3 299.353 2.263 20 30 CEEDHN C[C@@H](NCCN1CCOC(C)(C)C1)c1ccc(C#N)cc1 ZINC000181701844 296125378 /nfs/dbraw/zinc/12/53/78/296125378.db2.gz SKEXFLJWSQUGOA-CQSZACIVSA-N 0 3 287.407 2.320 20 30 CEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)C2(C#N)CCCC2)C1 ZINC000246280068 370941323 /nfs/dbraw/zinc/94/13/23/370941323.db2.gz MMDGZTWVQOVFSX-KBPBESRZSA-N 0 3 275.396 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297.443 2.141 20 30 CEEDHN CNC(=O)[C@@]1(C)CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000228069894 370395904 /nfs/dbraw/zinc/39/59/04/370395904.db2.gz YYBJXTLHRGQNGS-HNNXBMFYSA-N 0 3 291.782 2.170 20 30 CEEDHN CCC[C@@](C)(O)CNCc1ccc(C#N)c(OC)c1 ZINC000230707575 370466242 /nfs/dbraw/zinc/46/62/42/370466242.db2.gz QNKUANCPBXPVLM-OAHLLOKOSA-N 0 3 262.353 2.208 20 30 CEEDHN C=CCN1CCC(NC(=O)N(CC)CCC2CC2)CC1 ZINC000355191100 370542116 /nfs/dbraw/zinc/54/21/16/370542116.db2.gz DIVCCBNTHDLBQU-UHFFFAOYSA-N 0 3 279.428 2.468 20 30 CEEDHN COc1cc(CN[C@@H]2C[C@@H](OC)C2(C)C)ccc1C#N ZINC000234840985 370545304 /nfs/dbraw/zinc/54/53/04/370545304.db2.gz VAYJKCCXOMGJQK-HUUCEWRRSA-N 0 3 274.364 2.470 20 30 CEEDHN C=CCCOCC(=O)N1CCCc2cccc(CN)c21 ZINC000638545324 370602930 /nfs/dbraw/zinc/60/29/30/370602930.db2.gz TYKDSWQQJIKRNP-UHFFFAOYSA-N 0 3 274.364 2.017 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)[C@@H](N)CCC ZINC000236794383 370629175 /nfs/dbraw/zinc/62/91/75/370629175.db2.gz WMHLBPKEZXNOAI-AWEZNQCLSA-N 0 3 264.344 2.468 20 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BWRMJGLPLBEWHM-SDDRHHMPSA-N 0 3 252.358 2.198 20 30 CEEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(OC)c(O)c1 ZINC000268508556 372121245 /nfs/dbraw/zinc/12/12/45/372121245.db2.gz BQGDJMMDZRYPJO-CYBMUJFWSA-N 0 3 265.353 2.160 20 30 CEEDHN C[C@@H](CNC(=O)c1ccc(C#N)s1)N1CCC[C@H](C)C1 ZINC000362943117 372582843 /nfs/dbraw/zinc/58/28/43/372582843.db2.gz IQAYPNWKFGUXFM-RYUDHWBXSA-N 0 3 291.420 2.470 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cn(-c2ccc(C)cc2)nc1C ZINC000641767427 372705435 /nfs/dbraw/zinc/70/54/35/372705435.db2.gz KVCHYTXUXAAJID-KRWDZBQOSA-N 0 3 297.402 2.353 20 30 CEEDHN CC#CC[C@H](CO)NCc1c[nH]nc1-c1ccccc1F ZINC000641767688 372708655 /nfs/dbraw/zinc/70/86/55/372708655.db2.gz OFINBRDZFXBEQC-CYBMUJFWSA-N 0 3 287.338 2.080 20 30 CEEDHN C#CCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000270651386 372883445 /nfs/dbraw/zinc/88/34/45/372883445.db2.gz UBABMLYMEUYEMR-UHFFFAOYSA-N 0 3 254.333 2.425 20 30 CEEDHN COC[C@H](Cc1ccccc1)NCc1ccc(C#N)o1 ZINC000344704381 217282507 /nfs/dbraw/zinc/28/25/07/217282507.db2.gz 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JBMKUGQQLINNJI-ZDUSSCGKSA-N 0 3 289.379 2.079 20 30 CEEDHN N#Cc1cc(F)ccc1CN1CCC[C@H](c2nc[nH]n2)C1 ZINC000374540203 374595281 /nfs/dbraw/zinc/59/52/81/374595281.db2.gz COFRUJFIWUDYFF-LBPRGKRZSA-N 0 3 285.326 2.195 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CCC[C@@H]2C2CC2)c1 ZINC000377540538 374878584 /nfs/dbraw/zinc/87/85/84/374878584.db2.gz AGUHKOKOTVGIPF-MRXNPFEDSA-N 0 3 283.375 2.049 20 30 CEEDHN C[C@@H](NC[C@H]1CN(C2CC2)CCO1)c1ccc(C#N)s1 ZINC000378438138 375099299 /nfs/dbraw/zinc/09/92/99/375099299.db2.gz IHXZYROHFVWNOS-YPMHNXCESA-N 0 3 291.420 2.134 20 30 CEEDHN CN(C)CCNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000280148566 375108190 /nfs/dbraw/zinc/10/81/90/375108190.db2.gz ZVXWGAIOPKANNC-UHFFFAOYSA-N 0 3 297.406 2.457 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(O)c1OC ZINC000280596317 375255533 /nfs/dbraw/zinc/25/55/33/375255533.db2.gz BXZXZCKRLDQXOL-UKRRQHHQSA-N 0 3 277.364 2.472 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000280488303 375218390 /nfs/dbraw/zinc/21/83/90/375218390.db2.gz BHSWWLAEPUQELP-NEPJUHHUSA-N 0 3 289.379 2.310 20 30 CEEDHN C=CCN1CC[C@H](N2CC[C@H](c3ccccc3)C2)C1=O ZINC000281136472 375359528 /nfs/dbraw/zinc/35/95/28/375359528.db2.gz AFBBBZZEMLQZRN-HOTGVXAUSA-N 0 3 270.376 2.263 20 30 CEEDHN CCOC[C@@H]1CCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000282456256 375489486 /nfs/dbraw/zinc/48/94/86/375489486.db2.gz VJXOERHQWXANHV-CQSZACIVSA-N 0 3 274.364 2.425 20 30 CEEDHN CC[C@H](N[C@H](C)C(=O)NCCF)c1ccc(C#N)cc1 ZINC000282664792 375543811 /nfs/dbraw/zinc/54/38/11/375543811.db2.gz ITAYROIYHJVDAF-RISCZKNCSA-N 0 3 277.343 2.073 20 30 CEEDHN C[C@H](NC[C@@H]1CCCS(=O)(=O)C1)c1cccc(C#N)c1 ZINC000284168252 375821317 /nfs/dbraw/zinc/82/13/17/375821317.db2.gz QOBGVFAPRKNVQW-JSGCOSHPSA-N 0 3 292.404 2.034 20 30 CEEDHN CCCN(CCN1CCCC1)c1cccc(C#N)n1 ZINC000286332370 375916562 /nfs/dbraw/zinc/91/65/62/375916562.db2.gz LOSBKGLTNRWTDU-UHFFFAOYSA-N 0 3 258.369 2.265 20 30 CEEDHN CN(Cc1ccccc1)C1CN(c2cnccc2C#N)C1 ZINC000286339682 375919806 /nfs/dbraw/zinc/91/98/06/375919806.db2.gz LXZBBBQHWVSAMB-UHFFFAOYSA-N 0 3 278.359 2.274 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N[C@H]1CNCCC1(F)F ZINC000417993923 376225283 /nfs/dbraw/zinc/22/52/83/376225283.db2.gz YGMGGLLAVRCCSL-QWRGUYRKSA-N 0 3 275.343 2.028 20 30 CEEDHN CC[C@H](C)N(CCO)Cc1ccc(C#N)cc1F ZINC000287526827 376251175 /nfs/dbraw/zinc/25/11/75/376251175.db2.gz VGELLTISCXHZIQ-NSHDSACASA-N 0 3 250.317 2.290 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)NCC1(C#N)CCC1 ZINC000419468252 376456674 /nfs/dbraw/zinc/45/66/74/376456674.db2.gz WMVQOONIYOFFTM-AWEZNQCLSA-N 0 3 292.427 2.244 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(C)n(C)c2C)CC1 ZINC000264477574 190112624 /nfs/dbraw/zinc/11/26/24/190112624.db2.gz KOWUCXNMAZDWAO-UHFFFAOYSA-N 0 3 275.396 2.022 20 30 CEEDHN C=CCN1CCC(Nc2ncnc3[nH]ccc32)CC1 ZINC000264502043 190114603 /nfs/dbraw/zinc/11/46/03/190114603.db2.gz YEODBNRETDBYFV-UHFFFAOYSA-N 0 3 257.341 2.020 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)c1c(F)cc(C#N)cc1F ZINC000314064381 376762761 /nfs/dbraw/zinc/76/27/61/376762761.db2.gz YUGLLMIYNBBBHD-NSHDSACASA-N 0 3 293.317 2.003 20 30 CEEDHN N#CC1CCN(Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC000420907057 376733437 /nfs/dbraw/zinc/73/34/37/376733437.db2.gz UQVXDCYRUUHRNI-UHFFFAOYSA-N 0 3 299.418 2.254 20 30 CEEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC000290429113 376774829 /nfs/dbraw/zinc/77/48/29/376774829.db2.gz KAGWNYHMMNJVNK-VIFPVBQESA-N 0 3 289.383 2.264 20 30 CEEDHN C=CCOCCN1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000420996276 376769037 /nfs/dbraw/zinc/76/90/37/376769037.db2.gz ANUWADHONVUQTN-UONOGXRCSA-N 0 3 283.412 2.489 20 30 CEEDHN CC(=O)Nc1ccn([C@H]2CCN(CCc3ccccn3)C2)n1 ZINC000328620460 376864538 /nfs/dbraw/zinc/86/45/38/376864538.db2.gz HAXJFXZVWLDBLM-HNNXBMFYSA-N 0 3 299.378 2.376 20 30 CEEDHN C[C@H](NC(=O)c1cn2c(n1)CCCC2)C1=CCN(C)CC1 ZINC000328697562 376881052 /nfs/dbraw/zinc/88/10/52/376881052.db2.gz HFSCUVIHMQEJJF-LBPRGKRZSA-N 0 3 288.395 2.174 20 30 CEEDHN CC1(C)CC(N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000562425540 376890824 /nfs/dbraw/zinc/89/08/24/376890824.db2.gz IZWKBNPJZVWIFW-MRXNPFEDSA-N 0 3 297.402 2.437 20 30 CEEDHN O=C(N[C@H]1CCN(C2CC2)C1)c1cccc(-n2cccn2)c1 ZINC000329325432 376947269 /nfs/dbraw/zinc/94/72/69/376947269.db2.gz IQWMWSRPLFEIKM-AWEZNQCLSA-N 0 3 296.374 2.414 20 30 CEEDHN C=C[C@@](C)(O)CC(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000291435698 377195466 /nfs/dbraw/zinc/19/54/66/377195466.db2.gz LWTGVMDONWXANR-MRXNPFEDSA-N 0 3 276.380 2.322 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1cccc(Cl)c1 ZINC000264842032 190138255 /nfs/dbraw/zinc/13/82/55/190138255.db2.gz GZJPPWJQZHUCIG-LLVKDONJSA-N 0 3 264.756 2.130 20 30 CEEDHN C#CCNC(=O)CCNC(C)(C)c1ccc(Cl)cc1 ZINC000292705491 377265514 /nfs/dbraw/zinc/26/55/14/377265514.db2.gz DNZREZWGDJMBRC-UHFFFAOYSA-N 0 3 278.783 2.304 20 30 CEEDHN C[C@@H]1CC(NCc2nc(C#N)cs2)C[C@@H](C)O1 ZINC000564410545 377388004 /nfs/dbraw/zinc/38/80/04/377388004.db2.gz RHKXHGIEUJNTDH-RKDXNWHRSA-N 0 3 251.355 2.060 20 30 CEEDHN CC(C)(C#N)CCCN1CCC(O)(C(F)F)CC1 ZINC000426244588 377394509 /nfs/dbraw/zinc/39/45/09/377394509.db2.gz IYRKSFNMBWWCCN-UHFFFAOYSA-N 0 3 260.328 2.408 20 30 CEEDHN N#Cc1c(CN2CCN(C3CCC3)CC2)cn2ccccc12 ZINC000265020421 190152517 /nfs/dbraw/zinc/15/25/17/190152517.db2.gz SCOUFNOTEHDLGI-UHFFFAOYSA-N 0 3 294.402 2.481 20 30 CEEDHN C=CCN(C)Cc1ccccc1N1CCN(CC)CC1 ZINC000428385681 377493115 /nfs/dbraw/zinc/49/31/15/377493115.db2.gz QZIPTWYVAIGTRH-UHFFFAOYSA-N 0 3 273.424 2.446 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H]1CC[C@H](C)C1 ZINC000429574743 377517580 /nfs/dbraw/zinc/51/75/80/377517580.db2.gz BFLRYMPFVUSYJY-BFHYXJOUSA-N 0 3 265.401 2.115 20 30 CEEDHN C[C@H](CNC(=O)c1ccc(C#N)o1)N1CCC(C)CC1 ZINC000429808055 377521933 /nfs/dbraw/zinc/52/19/33/377521933.db2.gz PDUHKJNOHUIOJO-GFCCVEGCSA-N 0 3 275.352 2.001 20 30 CEEDHN CCN(CCC1CC1)Cc1cnc2c(C#N)cnn2c1 ZINC000564985350 377522847 /nfs/dbraw/zinc/52/28/47/377522847.db2.gz HBVKSQPGWCRWGV-UHFFFAOYSA-N 0 3 269.352 2.223 20 30 CEEDHN C#CCCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000265099121 190157730 /nfs/dbraw/zinc/15/77/30/190157730.db2.gz SQGPXXVDSZGZNU-KRWDZBQOSA-N 0 3 299.418 2.454 20 30 CEEDHN C=C(C)CNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000429195904 377511108 /nfs/dbraw/zinc/51/11/08/377511108.db2.gz DLPJCHFQHFBZRQ-UHFFFAOYSA-N 0 3 277.368 2.325 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C1CCC1)C1CCC1 ZINC000429158361 377512367 /nfs/dbraw/zinc/51/23/67/377512367.db2.gz KCFYAHGIRHXPKN-ZDUSSCGKSA-N 0 3 277.412 2.402 20 30 CEEDHN C=CCCC[C@@H](C)N1CC[C@H](CS(C)(=O)=O)C1 ZINC000429385898 377514705 /nfs/dbraw/zinc/51/47/05/377514705.db2.gz ITVYGTRPFGFXDO-OLZOCXBDSA-N 0 3 259.415 2.098 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC(C)=C[C@@H](C)C1 ZINC000430266113 377528842 /nfs/dbraw/zinc/52/88/42/377528842.db2.gz XFDOGGIZPAENHA-HIFRSBDPSA-N 0 3 262.397 2.474 20 30 CEEDHN C[C@@H](CC(=O)NCCc1ccccc1)NCC1(CC#N)CC1 ZINC000430748889 377547036 /nfs/dbraw/zinc/54/70/36/377547036.db2.gz RTOZDUUASXSTGY-HNNXBMFYSA-N 0 3 299.418 2.407 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)c1ncc(C#N)cc1Cl ZINC000265238291 190168417 /nfs/dbraw/zinc/16/84/17/190168417.db2.gz SMXUDMJYNQDAAD-NSHDSACASA-N 0 3 278.787 2.385 20 30 CEEDHN CC[C@](C)(C#N)NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000565181490 377592642 /nfs/dbraw/zinc/59/26/42/377592642.db2.gz MFZKTRBMGYAMQT-NVXWUHKLSA-N 0 3 285.391 2.317 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000265659938 190198155 /nfs/dbraw/zinc/19/81/55/190198155.db2.gz XDLQYRARVNMQGJ-VNHYZAJKSA-N 0 3 288.366 2.141 20 30 CEEDHN CC(C#N)C(=O)NCCC1CC(OC(C)(C)C)C1 ZINC000432261287 377735948 /nfs/dbraw/zinc/73/59/48/377735948.db2.gz AOCWDDICUJXXOI-UNXYVOJBSA-N 0 3 252.358 2.246 20 30 CEEDHN C=CCC(C)(C)CNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000432087022 377711224 /nfs/dbraw/zinc/71/12/24/377711224.db2.gz BNYHBIUSWCPNPN-OAHLLOKOSA-N 0 3 299.484 2.325 20 30 CEEDHN Cn1cc(CN2CC3(CCOCC3)[C@H]2C2CC2)cc1C#N ZINC000293775934 377752864 /nfs/dbraw/zinc/75/28/64/377752864.db2.gz YXUKUDAMDOAXKF-MRXNPFEDSA-N 0 3 285.391 2.288 20 30 CEEDHN CC(C)(C#N)CCCCN1CCC[C@]12CCNC2=O ZINC000566805773 377772986 /nfs/dbraw/zinc/77/29/86/377772986.db2.gz UGLLCYUXTBQULD-OAHLLOKOSA-N 0 3 263.385 2.061 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000432555233 377774216 /nfs/dbraw/zinc/77/42/16/377774216.db2.gz GXIQSBSESVSVDJ-INIZCTEOSA-N 0 3 279.428 2.326 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccoc1C(=O)OC ZINC000437252298 377839874 /nfs/dbraw/zinc/83/98/74/377839874.db2.gz FDVMLJIZGKCNDD-AAEUAGOBSA-N 0 3 279.336 2.137 20 30 CEEDHN C[C@H](CNC(=O)[C@H](C#N)CCc1ccccc1)N(C)C1CC1 ZINC000435930256 377815058 /nfs/dbraw/zinc/81/50/58/377815058.db2.gz WSAYTGHARBXHQK-ZBFHGGJFSA-N 0 3 299.418 2.358 20 30 CEEDHN C=CCCCCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433395887 377791422 /nfs/dbraw/zinc/79/14/22/377791422.db2.gz UJFNPIDOTIFYQQ-OAHLLOKOSA-N 0 3 297.443 2.143 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433945462 377793861 /nfs/dbraw/zinc/79/38/61/377793861.db2.gz HFUAWWKBOKJJHN-CQSZACIVSA-N 0 3 265.401 2.221 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000434439361 377797166 /nfs/dbraw/zinc/79/71/66/377797166.db2.gz PIZUBIWVSOWRBV-HZSPNIEDSA-N 0 3 277.412 2.400 20 30 CEEDHN C=CC[C@@H](C)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000439956336 377928938 /nfs/dbraw/zinc/92/89/38/377928938.db2.gz HSVGTPUVXTZLDE-TZMCWYRMSA-N 0 3 250.386 2.474 20 30 CEEDHN C=CC(C)(C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000294611174 378000457 /nfs/dbraw/zinc/00/04/57/378000457.db2.gz OIUUZHPAUBNNFO-UHFFFAOYSA-N 0 3 290.407 2.455 20 30 CEEDHN C#CCN(C)CCCN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000295091275 378039825 /nfs/dbraw/zinc/03/98/25/378039825.db2.gz UWCZLOLGBSRLCR-INIZCTEOSA-N 0 3 296.361 2.197 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)c1snc(Cl)c1C#N ZINC000266014260 190222751 /nfs/dbraw/zinc/22/27/51/190222751.db2.gz QKFUVBYBOOAFFN-SECBINFHSA-N 0 3 284.816 2.446 20 30 CEEDHN CC(C)[C@@H]1CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000446727017 378086412 /nfs/dbraw/zinc/08/64/12/378086412.db2.gz TUGKMCVDECIFLW-LZWOXQAQSA-N 0 3 279.428 2.407 20 30 CEEDHN OCCN(CC#Cc1ccccc1Cl)C1CCOCC1 ZINC000444775389 378079577 /nfs/dbraw/zinc/07/95/77/378079577.db2.gz IKDASFBBPRQOKQ-UHFFFAOYSA-N 0 3 293.794 2.165 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H](C(C)C)C1 ZINC000444751682 378080755 /nfs/dbraw/zinc/08/07/55/378080755.db2.gz PXXJAJGTCABSRW-CQSZACIVSA-N 0 3 265.401 2.117 20 30 CEEDHN C=CCSCCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000445025290 378082185 /nfs/dbraw/zinc/08/21/85/378082185.db2.gz YYMMURLOOZXKLA-UHFFFAOYSA-N 0 3 299.484 2.327 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCCC2(CCCC2)C1 ZINC000445851578 378083100 /nfs/dbraw/zinc/08/31/00/378083100.db2.gz HCEABMVAHMJDGV-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN C[C@H]1C[C@@]1(C#N)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000448561983 378173122 /nfs/dbraw/zinc/17/31/22/378173122.db2.gz ITEDBFUMHWLKJX-KSSFIOAISA-N 0 3 297.402 2.317 20 30 CEEDHN C=CCOc1cccc(CN2C[C@H](O)C[C@H](C)C2)c1 ZINC000449768775 378227961 /nfs/dbraw/zinc/22/79/61/378227961.db2.gz TVRTZXFVJJTQAY-DZGCQCFKSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCOc1cccc(CN2C[C@@H](C)C[C@H](O)C2)c1 ZINC000449768778 378227998 /nfs/dbraw/zinc/22/79/98/378227998.db2.gz TVRTZXFVJJTQAY-ZFWWWQNUSA-N 0 3 261.365 2.454 20 30 CEEDHN COc1cc(CN2CC[C@H](CCCO)C2)ccc1C#N ZINC000449788503 378232861 /nfs/dbraw/zinc/23/28/61/378232861.db2.gz DTJSOVPGQKKYSZ-ZDUSSCGKSA-N 0 3 274.364 2.161 20 30 CEEDHN C=CCn1c(C2CC2)nnc1N1CCCN(C(C)C)CC1 ZINC000295844231 378326920 /nfs/dbraw/zinc/32/69/20/378326920.db2.gz DMYGMRHACBVDBO-UHFFFAOYSA-N 0 3 289.427 2.262 20 30 CEEDHN N#CC1(CN2CCC(CCN3CCOCC3)CC2)CCC1 ZINC000450320658 378353680 /nfs/dbraw/zinc/35/36/80/378353680.db2.gz WPSZRSHTKBIBII-UHFFFAOYSA-N 0 3 291.439 2.115 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(C#N)o2)CCN(C2CC2)C1 ZINC000296171176 378439704 /nfs/dbraw/zinc/43/97/04/378439704.db2.gz XDSXSLXDXPUEJT-GFCCVEGCSA-N 0 3 259.353 2.067 20 30 CEEDHN C[C@@H](O)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000450652774 378520162 /nfs/dbraw/zinc/52/01/62/378520162.db2.gz PFMQNVPWDJSKQO-CYBMUJFWSA-N 0 3 256.349 2.418 20 30 CEEDHN C#Cc1ccc(CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000296513759 378557453 /nfs/dbraw/zinc/55/74/53/378557453.db2.gz QSFIHFUOJHITKZ-CJNGLKHVSA-N 0 3 297.402 2.092 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000297186272 378669340 /nfs/dbraw/zinc/66/93/40/378669340.db2.gz BTMXLRXDGZFTFH-KRWDZBQOSA-N 0 3 299.418 2.270 20 30 CEEDHN CC#CCN(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000297353214 378681738 /nfs/dbraw/zinc/68/17/38/378681738.db2.gz TXVJBIQJHMDYFV-QGZVFWFLSA-N 0 3 299.418 2.316 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2CCCCCCC2)cc1 ZINC000298473248 378738193 /nfs/dbraw/zinc/73/81/93/378738193.db2.gz QMLFKXNOSNAQNY-UHFFFAOYSA-N 0 3 285.391 2.441 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1c(C)cc(C)nc1OC ZINC000451615171 378722831 /nfs/dbraw/zinc/72/28/31/378722831.db2.gz USADIPBABSNGIM-KGLIPLIRSA-N 0 3 262.353 2.140 20 30 CEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cccc(C#N)c1 ZINC000299100144 378900275 /nfs/dbraw/zinc/90/02/75/378900275.db2.gz RTWUJLANOKZKCQ-KBPBESRZSA-N 0 3 285.391 2.408 20 30 CEEDHN C[C@H](N[C@H]1CSC[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000507230782 379099875 /nfs/dbraw/zinc/09/98/75/379099875.db2.gz OZYOWFZHSDQOQC-MJVIPROJSA-N 0 3 289.404 2.226 20 30 CEEDHN N#CCCC1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000515299255 379202326 /nfs/dbraw/zinc/20/23/26/379202326.db2.gz BPWZNNWKOCAZMN-UHFFFAOYSA-N 0 3 271.364 2.301 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000266543026 190265437 /nfs/dbraw/zinc/26/54/37/190265437.db2.gz QTGCHMSEFMLMBH-SJORKVTESA-N 0 3 297.402 2.439 20 30 CEEDHN Cc1ccc(N(C)C[C@H]2CCCN(C)C2)nc1C#N ZINC000302691343 379426015 /nfs/dbraw/zinc/42/60/15/379426015.db2.gz ZPPGBILLVBGXLJ-ZDUSSCGKSA-N 0 3 258.369 2.040 20 30 CEEDHN C#CCN(C[C@@H](O)COc1ccccc1)C1CCCC1 ZINC000304977086 379602934 /nfs/dbraw/zinc/60/29/34/379602934.db2.gz DSUDGWQLQWNKNJ-MRXNPFEDSA-N 0 3 273.376 2.304 20 30 CEEDHN C=CCNC(=O)CN1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000266924691 190291411 /nfs/dbraw/zinc/29/14/11/190291411.db2.gz JQGDYCRMANRKLC-GOEBONIOSA-N 0 3 272.392 2.242 20 30 CEEDHN C=CCN(Cc1ccccc1)CC1(O)CCOCC1 ZINC000305162490 379669187 /nfs/dbraw/zinc/66/91/87/379669187.db2.gz RRONOOMOZBZGSK-UHFFFAOYSA-N 0 3 261.365 2.216 20 30 CEEDHN CCCCCN(CCO)Cc1cnc2ccc(C#N)cn12 ZINC000305721510 379741061 /nfs/dbraw/zinc/74/10/61/379741061.db2.gz BRNGNGGMAIFTID-UHFFFAOYSA-N 0 3 286.379 2.190 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000527298979 379743799 /nfs/dbraw/zinc/74/37/99/379743799.db2.gz AWPRSCRKPHPVAC-IIAWOOMASA-N 0 3 289.423 2.449 20 30 CEEDHN CCC(C#N)(CC)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000528526599 380008248 /nfs/dbraw/zinc/00/82/48/380008248.db2.gz HOZVLVPCYPTSPI-ZDUSSCGKSA-N 0 3 263.385 2.011 20 30 CEEDHN C=CCOc1ccc(CN2C[C@@H](O)C[C@H]2C)cc1OC ZINC000471810825 380072557 /nfs/dbraw/zinc/07/25/57/380072557.db2.gz PLCDDBQMKBHWNI-OCCSQVGLSA-N 0 3 277.364 2.215 20 30 CEEDHN CC[C@@H](CNC(=O)C(C)C#N)Oc1cccc(C)c1 ZINC000488420792 380095250 /nfs/dbraw/zinc/09/52/50/380095250.db2.gz JEXJMAMQDFVQGU-STQMWFEESA-N 0 3 260.337 2.428 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000529403556 380173650 /nfs/dbraw/zinc/17/36/50/380173650.db2.gz PJVHNMQVKXJMSV-QWHCGFSZSA-N 0 3 263.385 2.011 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000529370341 380173672 /nfs/dbraw/zinc/17/36/72/380173672.db2.gz ZJBWYSKGDFHKKX-ZIAGYGMSSA-N 0 3 277.412 2.402 20 30 CEEDHN CCC(C#N)(CC)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000529471369 380176398 /nfs/dbraw/zinc/17/63/98/380176398.db2.gz LTCPZEPTIZTTMK-CYBMUJFWSA-N 0 3 265.401 2.257 20 30 CEEDHN CC(C#N)C(=O)NCc1cc(Br)ccc1F ZINC000334224057 380255860 /nfs/dbraw/zinc/25/58/60/380255860.db2.gz ADLNJEKGROIFFT-ZETCQYMHSA-N 0 3 285.116 2.364 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)Cc1cccc(C#N)c1 ZINC000531384943 380208649 /nfs/dbraw/zinc/20/86/49/380208649.db2.gz VDINWOFPEFZLGG-AWEZNQCLSA-N 0 3 285.391 2.091 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(C2CC2)cc1 ZINC000491442022 380319268 /nfs/dbraw/zinc/31/92/68/380319268.db2.gz ZANAUZLRQAQZAE-STQMWFEESA-N 0 3 270.376 2.353 20 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CEEDHN CCNc1ccc(C#N)cc1NC(=O)/C=C/CN(C)C ZINC000492928237 380733469 /nfs/dbraw/zinc/73/34/69/380733469.db2.gz NUZDWUWGNQENKC-AATRIKPKSA-N 0 3 272.352 2.046 20 30 CEEDHN N#Cc1ccc2nc(NCCN3CC=CCC3)ccc2c1 ZINC000555199764 380813288 /nfs/dbraw/zinc/81/32/88/380813288.db2.gz LCXMRBXUVGLFDV-UHFFFAOYSA-N 0 3 278.359 2.202 20 30 CEEDHN C=CCCCNCc1c(C)nc2sc(C)nn12 ZINC000279232614 194343608 /nfs/dbraw/zinc/34/36/08/194343608.db2.gz YWICDLOMOFWCDX-UHFFFAOYSA-N 0 3 250.371 2.463 20 30 CEEDHN C=CCC[C@H](O)CN1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000493538950 381045519 /nfs/dbraw/zinc/04/55/19/381045519.db2.gz RAIMFYUYCMZBEF-KBPBESRZSA-N 0 3 298.427 2.255 20 30 CEEDHN CN(C)C/C=C\C(=O)Nc1ccc(CC#N)cc1Cl ZINC000493855233 381149411 /nfs/dbraw/zinc/14/94/11/381149411.db2.gz NAKARDMIWFWGSF-ARJAWSKDSA-N 0 3 277.755 2.462 20 30 CEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000493996427 381151179 /nfs/dbraw/zinc/15/11/79/381151179.db2.gz ZXPVTFXWLDYJDV-CYBMUJFWSA-N 0 3 266.385 2.389 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000494661963 381161465 /nfs/dbraw/zinc/16/14/65/381161465.db2.gz QODVZVRJNUFDLR-HUUCEWRRSA-N 0 3 279.428 2.468 20 30 CEEDHN CC#CCN(C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000495529987 381174403 /nfs/dbraw/zinc/17/44/03/381174403.db2.gz UAZRBEPGQWNGFV-ZDUSSCGKSA-N 0 3 266.385 2.245 20 30 CEEDHN C=CCN(C)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000495914810 381190441 /nfs/dbraw/zinc/19/04/41/381190441.db2.gz VCFOHRSIVUGRHV-IUODEOHRSA-N 0 3 266.385 2.361 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](CN2CCOC2=O)C1 ZINC000495968775 381192524 /nfs/dbraw/zinc/19/25/24/381192524.db2.gz KVZWUIJKWVWWBZ-HIFRSBDPSA-N 0 3 299.374 2.393 20 30 CEEDHN C#CCCN1CCCC[C@@H]1COC(=O)NCCCC ZINC000496598381 381221325 /nfs/dbraw/zinc/22/13/25/381221325.db2.gz CMNSZIRLHKNIII-CQSZACIVSA-N 0 3 266.385 2.391 20 30 CEEDHN C#CCCCC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000192041276 533016915 /nfs/dbraw/zinc/01/69/15/533016915.db2.gz ZVCBHZJMPZWAIX-UHFFFAOYSA-N 0 3 288.391 2.047 20 30 CEEDHN Cc1cc(CN2CCC(C)(CO)CC2)ccc1C#N ZINC000335283880 208098839 /nfs/dbraw/zinc/09/88/39/208098839.db2.gz QIKOLAQGKKNYHP-UHFFFAOYSA-N 0 3 258.365 2.461 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000335348852 208245997 /nfs/dbraw/zinc/24/59/97/208245997.db2.gz KYMZFULLTDKFKA-RYUDHWBXSA-N 0 3 272.352 2.081 20 30 CEEDHN C#CCOc1ccc(CNCCOCC(F)F)cc1 ZINC000190888501 533191022 /nfs/dbraw/zinc/19/10/22/533191022.db2.gz ZNBUCENWYIOJGE-UHFFFAOYSA-N 0 3 269.291 2.070 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC[C@@H](OCCC)CC2)C1=O ZINC000337172708 262428373 /nfs/dbraw/zinc/42/83/73/262428373.db2.gz GSXYIZGHADMBBD-HUUCEWRRSA-N 0 3 280.412 2.054 20 30 CEEDHN COCC[C@H](C)CNCc1ccc(C#N)cc1F ZINC000414484251 533303081 /nfs/dbraw/zinc/30/30/81/533303081.db2.gz PSGBJJMJTHAWST-NSHDSACASA-N 0 3 250.317 2.460 20 30 CEEDHN CC(C)n1ncnc1CNC(=O)C1CCN(C2CC2)CC1 ZINC000328997817 394559590 /nfs/dbraw/zinc/55/95/90/394559590.db2.gz KHLLQIBCJLSPBS-UHFFFAOYSA-N 0 3 291.399 2.190 20 30 CEEDHN O=C(N[C@@H]1CCc2c[nH]nc2C1)[C@H](C1CC1)N1CCCC1 ZINC000329560757 394572624 /nfs/dbraw/zinc/57/26/24/394572624.db2.gz IYZOVCAVVJBEEP-HIFRSBDPSA-N 0 3 288.395 2.098 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000421710669 394573822 /nfs/dbraw/zinc/57/38/22/394573822.db2.gz LTHHGRLSXHFQFI-INIZCTEOSA-N 0 3 297.402 2.142 20 30 CEEDHN CC1(C)CCCN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000070259036 394586940 /nfs/dbraw/zinc/58/69/40/394586940.db2.gz QLMBJXUMGBFEAO-HNNXBMFYSA-N 0 3 288.391 2.420 20 30 CEEDHN C[C@H]1CN(c2ncc(C#N)cc2F)CCN(C2CC2)C1 ZINC000413331264 394528437 /nfs/dbraw/zinc/52/84/37/394528437.db2.gz PVRNSAACVRBENW-LLVKDONJSA-N 0 3 274.343 2.013 20 30 CEEDHN CCN1CCC(NC(=O)[C@@H]2CCC(=O)c3cccn32)CC1 ZINC000329877694 394591365 /nfs/dbraw/zinc/59/13/65/394591365.db2.gz JQOKHRODDNNOIL-AWEZNQCLSA-N 0 3 289.379 2.447 20 30 CEEDHN CN(CCNC(=O)c1cc(=O)[nH]c(C2CC2)c1)C1CC1 ZINC000329945105 394596910 /nfs/dbraw/zinc/59/69/10/394596910.db2.gz FPQCDNKMOBHLCW-UHFFFAOYSA-N 0 3 275.352 2.063 20 30 CEEDHN CC(C)c1nnc(CCC(=O)N[C@@H]2CCN(C3CC3)C2)o1 ZINC000329954700 394598325 /nfs/dbraw/zinc/59/83/25/394598325.db2.gz KFZUBCUSWYQFBI-LLVKDONJSA-N 0 3 292.383 2.319 20 30 CEEDHN CCC[C@@H](C(=O)NCC1CCC(C#N)CC1)N(C)C ZINC000330431788 394609060 /nfs/dbraw/zinc/60/90/60/394609060.db2.gz WORJYWFLALUABB-RUXDESIVSA-N 0 3 265.401 2.163 20 30 CEEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(CC#N)cc2)C1 ZINC000330489952 394616008 /nfs/dbraw/zinc/61/60/08/394616008.db2.gz LHTTYAUJLCLSFW-CZUORRHYSA-N 0 3 285.391 2.211 20 30 CEEDHN CC1CCN(CCNC(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000333204208 394642595 /nfs/dbraw/zinc/64/25/95/394642595.db2.gz OGLHIZMSJFIVMR-KRWDZBQOSA-N 0 3 289.423 2.309 20 30 CEEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H](O)COCC ZINC000265032540 394643707 /nfs/dbraw/zinc/64/37/07/394643707.db2.gz VGFQCPYRXTWCHN-INIZCTEOSA-N 0 3 276.380 2.168 20 30 CEEDHN Cc1cc([C@@H]2CN(C(=O)C(C)C#N)CCO2)ccc1F ZINC000334307914 394672934 /nfs/dbraw/zinc/67/29/34/394672934.db2.gz HWHKXSROASEAPA-FZMZJTMJSA-N 0 3 276.311 2.194 20 30 CEEDHN C[C@@H]1[C@H](C)N(Cc2ccc(F)cc2C#N)CCN1C ZINC000357001446 394678358 /nfs/dbraw/zinc/67/83/58/394678358.db2.gz MKPHLDFDSNTARD-NEPJUHHUSA-N 0 3 261.344 2.222 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCN(C)[C@@H](C)[C@@H]1C ZINC000357011758 394681396 /nfs/dbraw/zinc/68/13/96/394681396.db2.gz YHWJZNIAASVASU-STQMWFEESA-N 0 3 273.380 2.091 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000334393675 394681964 /nfs/dbraw/zinc/68/19/64/394681964.db2.gz BBNYVCURKQXUNC-ZFWWWQNUSA-N 0 3 263.385 2.013 20 30 CEEDHN C=CC[C@H](Cc1ccccc1)NCc1cn(C)nn1 ZINC000414531198 394746177 /nfs/dbraw/zinc/74/61/77/394746177.db2.gz FYBKBPCMASLUTG-CQSZACIVSA-N 0 3 256.353 2.092 20 30 CEEDHN C[C@H]1CN(C)CCN1CC#Cc1cccc(Cl)c1 ZINC000334853432 394715466 /nfs/dbraw/zinc/71/54/66/394715466.db2.gz HASAZFKJMLSMSA-ZDUSSCGKSA-N 0 3 262.784 2.327 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cnccc2C)CC1 ZINC000359422059 394753117 /nfs/dbraw/zinc/75/31/17/394753117.db2.gz YUVFFFGOFDHBJR-UHFFFAOYSA-N 0 3 273.380 2.160 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(CCOCC)CC1 ZINC000359515846 394759575 /nfs/dbraw/zinc/75/95/75/394759575.db2.gz PCLZSYWSSBJUHX-OAHLLOKOSA-N 0 3 254.418 2.385 20 30 CEEDHN Cc1c(Cl)cnc(N2CC[C@H]3CCN(C)C[C@@H]32)c1C#N ZINC000273393026 394787434 /nfs/dbraw/zinc/78/74/34/394787434.db2.gz VEJYZSJFBZPOQD-RISCZKNCSA-N 0 3 290.798 2.446 20 30 CEEDHN Cc1c2ccccc2n(C)c1CNC(=O)C(C)C#N ZINC000335701758 394791550 /nfs/dbraw/zinc/79/15/50/394791550.db2.gz JMEQSENVIRFFIA-SNVBAGLBSA-N 0 3 255.321 2.263 20 30 CEEDHN CC(C)CNC(=O)C(C#N)c1nccn1Cc1ccccc1 ZINC000122095059 394809288 /nfs/dbraw/zinc/80/92/88/394809288.db2.gz WNZAUCBHSAATLQ-HNNXBMFYSA-N 0 3 296.374 2.311 20 30 CEEDHN C=CCN1CCC(NC(=O)N(CC2CC2)CC2CC2)CC1 ZINC000360860378 394809321 /nfs/dbraw/zinc/80/93/21/394809321.db2.gz PYSQFUBWRXGNAR-UHFFFAOYSA-N 0 3 291.439 2.468 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](C)[C@H](C)C1 ZINC000122857972 394818929 /nfs/dbraw/zinc/81/89/29/394818929.db2.gz XDALLLJYJZRBEN-ZIAGYGMSSA-N 0 3 252.402 2.389 20 30 CEEDHN CN1CCN(C[C@H]2CCCN(c3ccc(C#N)cc3)C2)CC1 ZINC000363392842 394876749 /nfs/dbraw/zinc/87/67/49/394876749.db2.gz MCSOMQFACOZATJ-QGZVFWFLSA-N 0 3 298.434 2.022 20 30 CEEDHN C=CCOc1ccccc1CN[C@H](C)CC[S@@](C)=O ZINC000125466417 394843322 /nfs/dbraw/zinc/84/33/22/394843322.db2.gz FDWHFNNWOYYXOH-YJYMSZOUSA-N 0 3 281.421 2.498 20 30 CEEDHN C=CCN1CC[C@H](N2CC[C@@H](c3ccc(F)cc3)C2)C1=O ZINC000282017937 394897106 /nfs/dbraw/zinc/89/71/06/394897106.db2.gz OZLOMLJHVGUJAV-ZBFHGGJFSA-N 0 3 288.366 2.402 20 30 CEEDHN C#CCOc1ccc([C@@H](C)NCC2([S@](C)=O)CC2)cc1 ZINC000282411579 394918925 /nfs/dbraw/zinc/91/89/25/394918925.db2.gz SEIRHMHERQXQAI-XCLFUZPHSA-N 0 3 291.416 2.260 20 30 CEEDHN C#CCN(C[C@@H]1CCN(C(=O)c2ccccc2)C1)C1CC1 ZINC000283178615 394930797 /nfs/dbraw/zinc/93/07/97/394930797.db2.gz PYDPLWPNCAFTIM-HNNXBMFYSA-N 0 3 282.387 2.246 20 30 CEEDHN C=CCN(CCc1ccco1)CCN1CCO[C@H](C)C1 ZINC000283208174 394930962 /nfs/dbraw/zinc/93/09/62/394930962.db2.gz GWUVZUORHVMXIW-OAHLLOKOSA-N 0 3 278.396 2.031 20 30 CEEDHN C=CCOCCN1CCN(Cc2ccccc2C)CC1 ZINC000338883611 394932400 /nfs/dbraw/zinc/93/24/00/394932400.db2.gz RBFHBKFTAZLKEL-UHFFFAOYSA-N 0 3 274.408 2.315 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccc3cncn3c2)CC1 ZINC000284023559 394940837 /nfs/dbraw/zinc/94/08/37/394940837.db2.gz OUPKKPQNXBUCFB-UHFFFAOYSA-N 0 3 298.390 2.105 20 30 CEEDHN CCN(CCC#N)C(=O)CN1C[C@H]2CCCCCC[C@@H]21 ZINC000366247528 394941123 /nfs/dbraw/zinc/94/11/23/394941123.db2.gz QFQQMAYODWBVPS-CABCVRRESA-N 0 3 277.412 2.403 20 30 CEEDHN N#CCCOCCN1Cc2ccccc2C2(CC2)C1 ZINC000339089941 394942268 /nfs/dbraw/zinc/94/22/68/394942268.db2.gz DURISCQSDVPVKV-UHFFFAOYSA-N 0 3 256.349 2.464 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N(C)[C@H]1CCN(C2CC2)C1)OCC ZINC000339372210 394957421 /nfs/dbraw/zinc/95/74/21/394957421.db2.gz XCNAYRNKHULGGT-LSDHHAIUSA-N 0 3 280.412 2.053 20 30 CEEDHN C=CCC[C@H](NCCCC(=O)NC)c1ccco1 ZINC000286015391 395000983 /nfs/dbraw/zinc/00/09/83/395000983.db2.gz JKPVKCLZQMZOHH-LBPRGKRZSA-N 0 3 250.342 2.403 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000155734295 395029140 /nfs/dbraw/zinc/02/91/40/395029140.db2.gz VCMUBLUEZCCCKY-IAGOWNOFSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCC[C@H](N[C@H](CCO)COC)c1ccco1 ZINC000286094001 395011752 /nfs/dbraw/zinc/01/17/52/395011752.db2.gz MXKNAGNERJOYJK-OLZOCXBDSA-N 0 3 253.342 2.274 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)C(C)(C)C#N)CN1Cc1ccccc1 ZINC000134945857 394960402 /nfs/dbraw/zinc/96/04/02/394960402.db2.gz DXJYVDXQIJLVSR-HIFRSBDPSA-N 0 3 285.391 2.315 20 30 CEEDHN CC#CCCN1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000155102261 395025627 /nfs/dbraw/zinc/02/56/27/395025627.db2.gz MXVBOBXGPNSPER-UHFFFAOYSA-N 0 3 294.439 2.043 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@](CO)(C(C)C)C1 ZINC000339705169 394968207 /nfs/dbraw/zinc/96/82/07/394968207.db2.gz FPCNSZIWTDWMHN-QGZVFWFLSA-N 0 3 296.455 2.142 20 30 CEEDHN Cc1cc(NC[C@@H](C)N2CCCC[C@H]2C)c(C#N)cn1 ZINC000425207993 395052037 /nfs/dbraw/zinc/05/20/37/395052037.db2.gz NWJCUKNDNWRIDX-ZIAGYGMSSA-N 0 3 272.396 2.358 20 30 CEEDHN C#CCC(CC#C)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000288119023 395053790 /nfs/dbraw/zinc/05/37/90/395053790.db2.gz JNSAZCRVXDQVES-UHFFFAOYSA-N 0 3 286.419 2.126 20 30 CEEDHN Cc1cc(NCCN2CCCC(C)(C)C2)c(C#N)cn1 ZINC000425259574 395054896 /nfs/dbraw/zinc/05/48/96/395054896.db2.gz MNTLPTIQOLPRAW-UHFFFAOYSA-N 0 3 272.396 2.218 20 30 CEEDHN CC(C)(C#N)CCCCN1CCC[C@H]1C(=O)NC1CC1 ZINC000373118583 395054987 /nfs/dbraw/zinc/05/49/87/395054987.db2.gz SVEBUKBXRZNNLS-AWEZNQCLSA-N 0 3 277.412 2.449 20 30 CEEDHN C=C(CNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)c1ccccc1 ZINC000288258175 395056527 /nfs/dbraw/zinc/05/65/27/395056527.db2.gz WQGZRNAIYVRHTH-RHSMWYFYSA-N 0 3 299.418 2.482 20 30 CEEDHN CCCN(CC#N)CCN(C)Cc1ccc(F)cc1 ZINC000159737694 395059596 /nfs/dbraw/zinc/05/95/96/395059596.db2.gz QGKLPFDXAFGJOW-UHFFFAOYSA-N 0 3 263.360 2.493 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)C2(C#N)CCC2)CCN1Cc1ccccc1 ZINC000288432456 395059792 /nfs/dbraw/zinc/05/97/92/395059792.db2.gz XYDJNORTVHQVSI-GDBMZVCRSA-N 0 3 297.402 2.459 20 30 CEEDHN CC(C)OC[C@@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425529682 395061255 /nfs/dbraw/zinc/06/12/55/395061255.db2.gz CMDNOWAXZPGTJY-BBRMVZONSA-N 0 3 276.380 2.337 20 30 CEEDHN CC(C)NC(=O)CCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425534400 395061744 /nfs/dbraw/zinc/06/17/44/395061744.db2.gz LYINQFKQNLGCMD-CYBMUJFWSA-N 0 3 273.380 2.466 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000345749560 395075441 /nfs/dbraw/zinc/07/54/41/395075441.db2.gz LLPAAXFXVGMTHQ-QMMMGPOBSA-N 0 3 299.143 2.407 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)[C@@H](C)C#N)N2CCCC2)cc1 ZINC000345773633 395076064 /nfs/dbraw/zinc/07/60/64/395076064.db2.gz YTDPEFPRNMAZLC-HOCLYGCPSA-N 0 3 285.391 2.408 20 30 CEEDHN COC(=O)[C@@H]1CN(CCCC#N)C[C@H]1c1ccccc1 ZINC000374176984 395076287 /nfs/dbraw/zinc/07/62/87/395076287.db2.gz NBIUZAGUXAGWAN-LSDHHAIUSA-N 0 3 272.348 2.179 20 30 CEEDHN C#C[C@H](C)NCc1ccc(OC(F)F)c(OC)c1 ZINC000289392929 395076702 /nfs/dbraw/zinc/07/67/02/395076702.db2.gz NTZMQLQBJFJJPH-VIFPVBQESA-N 0 3 255.264 2.408 20 30 CEEDHN CCOCCOCc1cccc(CNC(=O)C(C)C#N)c1 ZINC000345848398 395080189 /nfs/dbraw/zinc/08/01/89/395080189.db2.gz PHMIRIVQSSOVDN-CYBMUJFWSA-N 0 3 290.363 2.016 20 30 CEEDHN CC(C#N)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000345858203 395081015 /nfs/dbraw/zinc/08/10/15/395081015.db2.gz XTLMSMQSAIMSOE-NSHDSACASA-N 0 3 285.347 2.201 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000345918970 395082389 /nfs/dbraw/zinc/08/23/89/395082389.db2.gz BBHKPFLFJKCWFY-WCVJEAGWSA-N 0 3 294.439 2.347 20 30 CEEDHN C=C[C@H](CO)N[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000289774457 395086047 /nfs/dbraw/zinc/08/60/47/395086047.db2.gz MIHKBAALJVRCFW-WCQYABFASA-N 0 3 263.337 2.045 20 30 CEEDHN C=CCC[C@@H](O)CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289848024 395088974 /nfs/dbraw/zinc/08/89/74/395088974.db2.gz KNDFBKRRZLOWAC-CHWSQXEVSA-N 0 3 269.776 2.110 20 30 CEEDHN C=C[C@@H](CC(=O)N[C@H](C)CN(C)C)c1ccccc1 ZINC000346182005 395090143 /nfs/dbraw/zinc/09/01/43/395090143.db2.gz CHMAFMLXWFJXQR-KGLIPLIRSA-N 0 3 260.381 2.413 20 30 CEEDHN CCO[C@H](C)c1nc(CN(C)C(=O)C(C)C#N)cs1 ZINC000346225359 395092237 /nfs/dbraw/zinc/09/22/37/395092237.db2.gz UDHGGHSQHDBUFO-VHSXEESVSA-N 0 3 281.381 2.359 20 30 CEEDHN C=CCCCCNC(=O)N1CCCN(CC)CC1 ZINC000372153149 395035930 /nfs/dbraw/zinc/03/59/30/395035930.db2.gz QWQBTFOITBKCGJ-UHFFFAOYSA-N 0 3 253.390 2.080 20 30 CEEDHN C=C(Cl)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000290506996 395106225 /nfs/dbraw/zinc/10/62/25/395106225.db2.gz NXDUKVOTAKJFOX-GFCCVEGCSA-N 0 3 262.756 2.068 20 30 CEEDHN C[C@@H]1C[C@@H]1N1CCN(Cc2ccc(C#N)o2)C[C@@H](C)C1 ZINC000430122903 395162647 /nfs/dbraw/zinc/16/26/47/395162647.db2.gz ISAKANPXUKAGII-IOASZLSFSA-N 0 3 273.380 2.313 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1nccc(C#N)c1Cl ZINC000429189572 395157543 /nfs/dbraw/zinc/15/75/43/395157543.db2.gz CBTGKBFFHAJTRD-ZYHUDNBSSA-N 0 3 278.787 2.383 20 30 CEEDHN C=CCN1CCC(N[C@H](CC)c2ccn(C)n2)CC1 ZINC000349462013 395168056 /nfs/dbraw/zinc/16/80/56/395168056.db2.gz QXTATWWENKIBQS-CQSZACIVSA-N 0 3 262.401 2.111 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000514994228 395172832 /nfs/dbraw/zinc/17/28/32/395172832.db2.gz ZGVDXEWLJSRHNG-NUEKZKHPSA-N 0 3 286.375 2.470 20 30 CEEDHN C=CC[C@H](CO)NCc1c(C(C)C)nc2sc(C)nn21 ZINC000351597068 395227994 /nfs/dbraw/zinc/22/79/94/395227994.db2.gz TYTPZUIJFRSBDE-LLVKDONJSA-N 0 3 294.424 2.249 20 30 CEEDHN CCc1ccc(C#CC(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000293615836 395245625 /nfs/dbraw/zinc/24/56/25/395245625.db2.gz DBBGJRZMOHGWIG-LJQANCHMSA-N 0 3 296.414 2.155 20 30 CEEDHN N#Cc1ccc(N2CCC(NCC3(C#N)CC3)CC2)cc1 ZINC000517350120 395189538 /nfs/dbraw/zinc/18/95/38/395189538.db2.gz XUZDMNWMRPKUDR-UHFFFAOYSA-N 0 3 280.375 2.420 20 30 CEEDHN CCCC[C@@H](C)N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000352413866 395251645 /nfs/dbraw/zinc/25/16/45/395251645.db2.gz CFDPTPVPGSOTMI-IUODEOHRSA-N 0 3 265.401 2.305 20 30 CEEDHN C#CCNC(=O)CCN(CC)Cc1ccc(Cl)cc1 ZINC000292952075 395212023 /nfs/dbraw/zinc/21/20/23/395212023.db2.gz BPPUZKRJDGHPIJ-UHFFFAOYSA-N 0 3 278.783 2.301 20 30 CEEDHN C=CCCC[C@@H](C)N[C@@H](Cc1ccccc1)C(N)=O ZINC000351382420 395212739 /nfs/dbraw/zinc/21/27/39/395212739.db2.gz IYQTZZLYHFPITN-HIFRSBDPSA-N 0 3 260.381 2.417 20 30 CEEDHN C=CCN(Cc1cccs1)C[C@@H](O)CN(C)C1CC1 ZINC000351388478 395213815 /nfs/dbraw/zinc/21/38/15/395213815.db2.gz RLJNLJWCFPUALC-AWEZNQCLSA-N 0 3 280.437 2.191 20 30 CEEDHN C[C@H](CNC[C@H](C#N)CCC#N)N1CCC[C@@H](C)C1 ZINC000519772002 395222287 /nfs/dbraw/zinc/22/22/87/395222287.db2.gz RINXZYAKDRLLDA-KFWWJZLASA-N 0 3 262.401 2.140 20 30 CEEDHN CC#CCN(C)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000293184603 395224278 /nfs/dbraw/zinc/22/42/78/395224278.db2.gz PWLSORCUAZFEJM-FUHWJXTLSA-N 0 3 287.403 2.397 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2C3CCC2CC3)cc1 ZINC000527165717 395277309 /nfs/dbraw/zinc/27/73/09/395277309.db2.gz AJXAOLHQOWYEOQ-FHERZECASA-N 0 3 279.343 2.394 20 30 CEEDHN COc1ccc(CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1C#N ZINC000527805171 395281842 /nfs/dbraw/zinc/28/18/42/395281842.db2.gz UOBJGXLZLKJMLZ-YMEQNVIZSA-N 0 3 274.364 2.468 20 30 CEEDHN N#Cc1ccncc1NC[C@H]1CCN1C1CCCC1 ZINC000528209278 395287489 /nfs/dbraw/zinc/28/74/89/395287489.db2.gz MLUARYLCKJGZCV-CQSZACIVSA-N 0 3 256.353 2.382 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](NCCn1cccn1)CC2 ZINC000353256805 395291641 /nfs/dbraw/zinc/29/16/41/395291641.db2.gz PNZCAEZPPWBMOT-OAHLLOKOSA-N 0 3 252.321 2.032 20 30 CEEDHN CCCN(C[C@H]1CCCCO1)[C@@H](C)C(=O)N(C)CCC#N ZINC000411370441 395326978 /nfs/dbraw/zinc/32/69/78/395326978.db2.gz UDOABFGTGZCODJ-LSDHHAIUSA-N 0 3 295.427 2.028 20 30 CEEDHN CCCN(C[C@@H]1CCCCO1)[C@@H](C)C(=O)N(C)CCC#N ZINC000411370439 395326992 /nfs/dbraw/zinc/32/69/92/395326992.db2.gz UDOABFGTGZCODJ-GJZGRUSLSA-N 0 3 295.427 2.028 20 30 CEEDHN CCCCNC(=O)[C@@H]1CCCN([C@@H](C)CCC#N)C1 ZINC000411222268 395323015 /nfs/dbraw/zinc/32/30/15/395323015.db2.gz NTHKMOMDUWHXNG-UONOGXRCSA-N 0 3 265.401 2.307 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(OC)c(OCC(C)C)c1 ZINC000352465314 395256816 /nfs/dbraw/zinc/25/68/16/395256816.db2.gz HMRRXDZQPSQLMN-CQSZACIVSA-N 0 3 279.380 2.367 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc2cccc(C)c2o1 ZINC000293953337 395259414 /nfs/dbraw/zinc/25/94/14/395259414.db2.gz KIVXDQOSOGMHMO-UHFFFAOYSA-N 0 3 284.359 2.426 20 30 CEEDHN COc1cc(CNCC[C@H](O)C(C)C)ccc1C#N ZINC000440826559 395363116 /nfs/dbraw/zinc/36/31/16/395363116.db2.gz NKRMTFVYDOXCBT-AWEZNQCLSA-N 0 3 262.353 2.063 20 30 CEEDHN CS(=O)(=O)Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442714427 395392344 /nfs/dbraw/zinc/39/23/44/395392344.db2.gz LJKQMGFNGUEBJK-LSDHHAIUSA-N 0 3 292.404 2.013 20 30 CEEDHN C=CCN(C)CCN(CC)C[C@H]1CCC(C)(C)O1 ZINC000411644586 395333302 /nfs/dbraw/zinc/33/33/02/395333302.db2.gz JSQSBNKNXHKWGU-CQSZACIVSA-N 0 3 254.418 2.384 20 30 CEEDHN C=CCN(C)CCN(CC)[C@@H](C)c1cnc(C)cn1 ZINC000411650885 395334059 /nfs/dbraw/zinc/33/40/59/395334059.db2.gz UVJBYJSYITYPGJ-AWEZNQCLSA-N 0 3 262.401 2.286 20 30 CEEDHN C=CCN(CCCOc1cccc(C#N)c1)CCOC ZINC000191146498 395350124 /nfs/dbraw/zinc/35/01/24/395350124.db2.gz PEORKTJAXLFMAX-UHFFFAOYSA-N 0 3 274.364 2.462 20 30 CEEDHN N#Cc1cccc(C(=O)NC[C@@H]2CCN2C2CCCC2)c1 ZINC000530025075 395453627 /nfs/dbraw/zinc/45/36/27/395453627.db2.gz GZEUZMCAENHJJN-INIZCTEOSA-N 0 3 283.375 2.305 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000436070791 395406031 /nfs/dbraw/zinc/40/60/31/395406031.db2.gz WLAAGXRQAAIKRH-UHFFFAOYSA-N 0 3 297.358 2.451 20 30 CEEDHN Cc1cc(CN[C@@H](C)Cn2ccnc2)ccc1C#N ZINC000443956784 395407193 /nfs/dbraw/zinc/40/71/93/395407193.db2.gz ADHHHGYCFYIJBW-ZDUSSCGKSA-N 0 3 254.337 2.242 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC(C)(C2CC2)CC1 ZINC000573369916 395606935 /nfs/dbraw/zinc/60/69/35/395606935.db2.gz PVUGNKLGSUZLLK-CYBMUJFWSA-N 0 3 289.423 2.449 20 30 CEEDHN CC[C@@H]1[C@H](CO)CCN1Cc1cc(C#N)cs1 ZINC000449424284 395547908 /nfs/dbraw/zinc/54/79/08/395547908.db2.gz OVLHSJDWKBSWEW-WCQYABFASA-N 0 3 250.367 2.213 20 30 CEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)[C@@H]1CC2CCC1CC2 ZINC000568102487 395548302 /nfs/dbraw/zinc/54/83/02/395548302.db2.gz XZPUXLMKBUYXMR-HKKVPVCXSA-N 0 3 277.412 2.339 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CC[C@H](Nc2ccccn2)CC1 ZINC000568146667 395549953 /nfs/dbraw/zinc/54/99/53/395549953.db2.gz WILDQGMHWBCJMH-AVGNSLFASA-N 0 3 272.352 2.081 20 30 CEEDHN CS[C@H]1CN(CC2(C#N)CCC2)C[C@H]1N1CCCC1 ZINC000450737292 395575608 /nfs/dbraw/zinc/57/56/08/395575608.db2.gz KXOHTTPSBVTOII-KGLIPLIRSA-N 0 3 279.453 2.192 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](OC(C)C)C1 ZINC000572517179 395586683 /nfs/dbraw/zinc/58/66/83/395586683.db2.gz DZJKKDDDGIDNSU-LSDHHAIUSA-N 0 3 280.412 2.075 20 30 CEEDHN CO[C@H]1CCN(CCOc2ccccc2C#N)C[C@H]1C ZINC000451547290 395622462 /nfs/dbraw/zinc/62/24/62/395622462.db2.gz QPEHCWPFKMZZAD-HIFRSBDPSA-N 0 3 274.364 2.294 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@@H](OC)[C@@H](C)C1 ZINC000451580344 395623495 /nfs/dbraw/zinc/62/34/95/395623495.db2.gz ZQUIMCITQLQPIH-SWLSCSKDSA-N 0 3 274.364 2.424 20 30 CEEDHN C[C@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1ccc(C#N)cc1F ZINC000453347373 395628011 /nfs/dbraw/zinc/62/80/11/395628011.db2.gz BYTRXUXQTAHVMI-ZMLRMANQSA-N 0 3 275.327 2.002 20 30 CEEDHN Cc1ccc(C[C@@H](CO)NCc2cc(C#N)n(C)c2)cc1C ZINC000453608564 395628201 /nfs/dbraw/zinc/62/82/01/395628201.db2.gz AOJQMQKOGYVZDJ-KRWDZBQOSA-N 0 3 297.402 2.207 20 30 CEEDHN CC1(C)C[C@@H](CNCc2nc(C#N)cs2)CCO1 ZINC000453576685 395628315 /nfs/dbraw/zinc/62/83/15/395628315.db2.gz GPGGMDSFMLGOPI-JTQLQIEISA-N 0 3 265.382 2.310 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)NC(C)(C)CN(C)C)c1 ZINC000455949318 395632154 /nfs/dbraw/zinc/63/21/54/395632154.db2.gz CXQSJAGIYOCDTF-UHFFFAOYSA-N 0 3 274.368 2.328 20 30 CEEDHN CC(C)[C@@H]1CN(c2nc3c(cc2C#N)CCC3)CCN1C ZINC000487102396 395667052 /nfs/dbraw/zinc/66/70/52/395667052.db2.gz RWYMQSGBADUCBP-INIZCTEOSA-N 0 3 284.407 2.218 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCCC(C)(C)C1 ZINC000491453943 395669655 /nfs/dbraw/zinc/66/96/55/395669655.db2.gz UQXPULRERCCLLN-AWEZNQCLSA-N 0 3 264.413 2.274 20 30 CEEDHN C#C[C@H](CCC)NC(=O)[C@H]1CCCCN1C(C)C ZINC000491629698 395670213 /nfs/dbraw/zinc/67/02/13/395670213.db2.gz MFRSJRZXTZCEHZ-ZIAGYGMSSA-N 0 3 250.386 2.167 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(C#N)cc2)CN1C1CC1 ZINC000492102625 395670900 /nfs/dbraw/zinc/67/09/00/395670900.db2.gz HYZMLRHWHZUINO-MUGHPLOMSA-N 0 3 295.386 2.313 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C/c2ccncc2C)CC1 ZINC000493743188 395672878 /nfs/dbraw/zinc/67/28/78/395672878.db2.gz VHHPPXAUDCBEQV-AATRIKPKSA-N 0 3 297.402 2.007 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1n[nH]c2ccccc12 ZINC000648763033 395976928 /nfs/dbraw/zinc/97/69/28/395976928.db2.gz KPVITXMMNOMIRO-HIFRSBDPSA-N 0 3 257.337 2.386 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1[nH]nc2ccccc21 ZINC000648763033 395976930 /nfs/dbraw/zinc/97/69/30/395976930.db2.gz KPVITXMMNOMIRO-HIFRSBDPSA-N 0 3 257.337 2.386 20 30 CEEDHN C=CCNC(=O)CN1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000646049258 396277654 /nfs/dbraw/zinc/27/76/54/396277654.db2.gz BMFHFYNQBHXGBA-UONOGXRCSA-N 0 3 264.413 2.437 20 30 CEEDHN CC#CCN1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000646072968 396284440 /nfs/dbraw/zinc/28/44/40/396284440.db2.gz MEZGIVPGFXREJF-IRXDYDNUSA-N 0 3 257.377 2.468 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cnn(-c2ccccc2C)c1 ZINC000647199355 396438371 /nfs/dbraw/zinc/43/83/71/396438371.db2.gz ZXTFORGSOGJZOP-OAHLLOKOSA-N 0 3 285.391 2.455 20 30 CEEDHN C=CCCCCCN(C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000150901743 400281513 /nfs/dbraw/zinc/28/15/13/400281513.db2.gz YQMJHFFEQJQVHB-GASCZTMLSA-N 0 3 282.428 2.300 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CCN(C2CCCC2)CC1)OCC ZINC000339422887 400363666 /nfs/dbraw/zinc/36/36/66/400363666.db2.gz IQACIUSCUMYQNW-INIZCTEOSA-N 0 3 294.439 2.445 20 30 CEEDHN CC(C)[C@@H]1CN(C)CCN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357502196 400375592 /nfs/dbraw/zinc/37/55/92/400375592.db2.gz KJXHRRQHHDEGNE-HNNXBMFYSA-N 0 3 288.351 2.243 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@]2(CC2(F)F)C1 ZINC000649901723 400748994 /nfs/dbraw/zinc/74/89/94/400748994.db2.gz PYRIHPIPCTVPIG-GXTWGEPZSA-N 0 3 284.350 2.307 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnnn1-c1ccccc1 ZINC000650079625 400794862 /nfs/dbraw/zinc/79/48/62/400794862.db2.gz UGNFVLPJNNASMV-CVEARBPZSA-N 0 3 284.363 2.091 20 30 CEEDHN C[C@H](C(=O)N(C)CCN1CCCC1)c1cccc(C#N)c1 ZINC000360139372 155226348 /nfs/dbraw/zinc/22/63/48/155226348.db2.gz CRDKERQAKGOEQT-AWEZNQCLSA-N 0 3 285.391 2.216 20 30 CEEDHN CC(C)CN1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000191853117 153191731 /nfs/dbraw/zinc/19/17/31/153191731.db2.gz AEISMTLSYQXQOJ-UHFFFAOYSA-N 0 3 275.371 2.471 20 30 CEEDHN CC[C@]1(CO)CCCN1Cc1cc(C#N)cs1 ZINC000191957621 153197559 /nfs/dbraw/zinc/19/75/59/153197559.db2.gz BQTAIZSTGMVYHF-CYBMUJFWSA-N 0 3 250.367 2.357 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)c2ccnc(C#N)c2)c1 ZINC000192650630 153216683 /nfs/dbraw/zinc/21/66/83/153216683.db2.gz CVQDNXASVMAVRZ-UHFFFAOYSA-N 0 3 280.331 2.267 20 30 CEEDHN C[C@@H]1CCOCCN1CCCOc1ccc(C#N)cc1 ZINC000367665037 156223399 /nfs/dbraw/zinc/22/33/99/156223399.db2.gz UNXYOMGWQFSHHK-CQSZACIVSA-N 0 3 274.364 2.438 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H](c3ccnc(N)n3)C2)cc1 ZINC000368456683 156346964 /nfs/dbraw/zinc/34/69/64/156346964.db2.gz CCDFLGYCYQKLKP-HNNXBMFYSA-N 0 3 293.374 2.140 20 30 CEEDHN Cc1n[nH]cc1C1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000375269087 157070288 /nfs/dbraw/zinc/07/02/88/157070288.db2.gz XFDABAVTOPEWPS-UHFFFAOYSA-N 0 3 283.379 2.308 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)c2c[nH]c(C#N)c2)c1 ZINC000180366280 165306650 /nfs/dbraw/zinc/30/66/50/165306650.db2.gz ABYQUDGCIHWCTG-UHFFFAOYSA-N 0 3 268.320 2.200 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(CC(C)(C)O)CC1 ZINC000118397243 287131455 /nfs/dbraw/zinc/13/14/55/287131455.db2.gz KGQHDWOSTPLHRH-AWEZNQCLSA-N 0 3 287.407 2.008 20 30 CEEDHN CCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000021025550 171291086 /nfs/dbraw/zinc/29/10/86/171291086.db2.gz HNUNMJSQAQTGPN-CYBMUJFWSA-N 0 3 274.324 2.363 20 30 CEEDHN COC(=O)C(C)(C)CCNCc1ccc(C#N)s1 ZINC000285393709 196271093 /nfs/dbraw/zinc/27/10/93/196271093.db2.gz DTASKJJJQWYIOH-UHFFFAOYSA-N 0 3 266.366 2.299 20 30 CEEDHN CCC[C@]1(NCC(=O)Nc2cccc(C#N)c2)CCOC1 ZINC000285406922 196275131 /nfs/dbraw/zinc/27/51/31/196275131.db2.gz CWTWBVRFSGGECM-INIZCTEOSA-N 0 3 287.363 2.046 20 30 CEEDHN CN(CCOc1cccc(C#N)c1)[C@@H]1CCSC1 ZINC000037174825 173009748 /nfs/dbraw/zinc/00/97/48/173009748.db2.gz XJIJZEWUIGGBDS-CYBMUJFWSA-N 0 3 262.378 2.374 20 30 CEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc(C#N)c1 ZINC000285741777 196384590 /nfs/dbraw/zinc/38/45/90/196384590.db2.gz JLPFKXXXKFFVML-BBRMVZONSA-N 0 3 283.375 2.257 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@H](CC)[C@H]1CCCCO1 ZINC000653880755 414772471 /nfs/dbraw/zinc/77/24/71/414772471.db2.gz QZAZZGMXJLPFIZ-HUUCEWRRSA-N 0 3 282.428 2.348 20 30 CEEDHN CC#CCN(C)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660647349 414913008 /nfs/dbraw/zinc/91/30/08/414913008.db2.gz QGTIRXTZJVAOGB-AWEZNQCLSA-N 0 3 264.413 2.226 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cncc(Br)c1C ZINC000657426590 414928781 /nfs/dbraw/zinc/92/87/81/414928781.db2.gz ISKIDZSYHLOICF-LLVKDONJSA-N 0 3 299.212 2.427 20 30 CEEDHN C=CCN1CCC(NC(=O)NC2(C)CC=CC2)CC1 ZINC000654431425 414934956 /nfs/dbraw/zinc/93/49/56/414934956.db2.gz LDKMDLBEFAUJBP-UHFFFAOYSA-N 0 3 263.385 2.045 20 30 CEEDHN CCC[C@H]1CN(CCC(C)(C)C#N)CCN1CCOC ZINC000345929212 414877776 /nfs/dbraw/zinc/87/77/76/414877776.db2.gz BASUTWAIRREOFS-HNNXBMFYSA-N 0 3 281.444 2.359 20 30 CEEDHN C=C(C)CCN[C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660600660 414894216 /nfs/dbraw/zinc/89/42/16/414894216.db2.gz UIKADPROZTXDLE-AWEZNQCLSA-N 0 3 263.385 2.180 20 30 CEEDHN C=CCOCCCC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654313007 414901162 /nfs/dbraw/zinc/90/11/62/414901162.db2.gz UFSBBHXATMTQHC-LSDHHAIUSA-N 0 3 280.412 2.102 20 30 CEEDHN C=C(C)CCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654580169 414978252 /nfs/dbraw/zinc/97/82/52/414978252.db2.gz OEWXIYWLWNJNLG-UONOGXRCSA-N 0 3 265.401 2.269 20 30 CEEDHN C=CCCN(C)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654732774 415020606 /nfs/dbraw/zinc/02/06/06/415020606.db2.gz GFNMTQQVXAWULM-KBPBESRZSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCOc1ccc(CNC[C@H](OC)[C@@H]2CCOC2)cc1 ZINC000657543397 414995453 /nfs/dbraw/zinc/99/54/53/414995453.db2.gz LLBSOGOKTCIMLA-WBVHZDCISA-N 0 3 291.391 2.393 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCC(C)(C)F)CC1 ZINC000660706260 414944046 /nfs/dbraw/zinc/94/40/46/414944046.db2.gz JPPBMSBCIUCRBT-UHFFFAOYSA-N 0 3 271.380 2.074 20 30 CEEDHN C=CCCCNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654549264 414967726 /nfs/dbraw/zinc/96/77/26/414967726.db2.gz IXSSPTYZJPLUQE-UHFFFAOYSA-N 0 3 267.417 2.468 20 30 CEEDHN C=CCCCNC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000661091233 415091686 /nfs/dbraw/zinc/09/16/86/415091686.db2.gz KXWCPQRCYBHBGV-CQSZACIVSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCC1(NC(=O)N[C@@H]2CCCN(C)C2)CCCC1 ZINC000663775022 415045168 /nfs/dbraw/zinc/04/51/68/415045168.db2.gz SHDKCBQFMKYDIK-CYBMUJFWSA-N 0 3 265.401 2.269 20 30 CEEDHN C=CC[C@H]1CCCC[C@@H]1NCC(=O)Nc1nncs1 ZINC000661116725 415103500 /nfs/dbraw/zinc/10/35/00/415103500.db2.gz ZJPFEZZUZPELDO-QWRGUYRKSA-N 0 3 280.397 2.201 20 30 CEEDHN CC[C@@H](C#N)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000044810043 175257572 /nfs/dbraw/zinc/25/75/72/175257572.db2.gz QKIVAZDJYAQJEM-HNNXBMFYSA-N 0 3 285.391 2.317 20 30 CEEDHN C=CCCN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000658114159 415219232 /nfs/dbraw/zinc/21/92/32/415219232.db2.gz LYTSJNSTYUZYRP-LBPRGKRZSA-N 0 3 253.367 2.015 20 30 CEEDHN C=CC[C@H]1CCCN(CC2(CS(C)(=O)=O)CC2)C1 ZINC000661382177 415236900 /nfs/dbraw/zinc/23/69/00/415236900.db2.gz UASXQAWYTBRGKG-ZDUSSCGKSA-N 0 3 271.426 2.099 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661666471 415391576 /nfs/dbraw/zinc/39/15/76/415391576.db2.gz ZASILAFZEQJAQZ-BBWFWOEESA-N 0 3 275.392 2.021 20 30 CEEDHN C[C@]12COC[C@H]1CN(CC#Cc1ccc(F)cc1)C2 ZINC000661700019 415411495 /nfs/dbraw/zinc/41/14/95/415411495.db2.gz LXRWYKWFMXNYMA-ZBFHGGJFSA-N 0 3 259.324 2.146 20 30 CEEDHN C=CCC1(NC(=O)N[C@H](CN)C(F)(F)F)CCCC1 ZINC000659024821 415390919 /nfs/dbraw/zinc/39/09/19/415390919.db2.gz KKEZQYLBKIDFPX-SECBINFHSA-N 0 3 279.306 2.064 20 30 CEEDHN C=CCN(CC(=O)N(C)CC(F)(F)F)C(C)(C)C ZINC000661756141 415446034 /nfs/dbraw/zinc/44/60/34/415446034.db2.gz DLZSIDQIGKLGJA-UHFFFAOYSA-N 0 3 266.307 2.294 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC([C@H]2CCCCO2)CC1 ZINC000661864913 415507814 /nfs/dbraw/zinc/50/78/14/415507814.db2.gz QJOWIFBMGWQRAM-HUUCEWRRSA-N 0 3 253.386 2.205 20 30 CEEDHN C=CCOCCN1Cc2cnn(C)c2CC(C)(C)C1 ZINC000664881194 415511391 /nfs/dbraw/zinc/51/13/91/415511391.db2.gz VYGRRJYBYQDASC-UHFFFAOYSA-N 0 3 263.385 2.007 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CNCCC1(F)F ZINC000659329354 415519918 /nfs/dbraw/zinc/51/99/18/415519918.db2.gz MTDZAFZDBOGHEH-JHJVBQTASA-N 0 3 286.366 2.482 20 30 CEEDHN C=CCC[C@H](O)CN1CCC2(CCCC2=O)CC1 ZINC000661956087 415541516 /nfs/dbraw/zinc/54/15/16/415541516.db2.gz VVOXVTPSQAXWBX-ZDUSSCGKSA-N 0 3 251.370 2.149 20 30 CEEDHN C=CCC1(CNC(=O)N[C@H](CN)C(F)(F)F)CCCC1 ZINC000655930666 415553868 /nfs/dbraw/zinc/55/38/68/415553868.db2.gz BNQYBZORJMUQAS-SNVBAGLBSA-N 0 3 293.333 2.312 20 30 CEEDHN C=CCC[C@H](O)CN1CCOC(C2CC2)(C2CC2)C1 ZINC000661997533 415566441 /nfs/dbraw/zinc/56/64/41/415566441.db2.gz XQKOFXKLWQBCJB-HNNXBMFYSA-N 0 3 265.397 2.205 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc2n1CCOC2 ZINC000656401366 415691918 /nfs/dbraw/zinc/69/19/18/415691918.db2.gz DBVHGOPBQGEJGW-CHWSQXEVSA-N 0 3 276.384 2.033 20 30 CEEDHN CN(C)CCN(C)c1nc2ccccc2cc1C#N ZINC000071390166 176148452 /nfs/dbraw/zinc/14/84/52/176148452.db2.gz RAHZLHNEMHVCHO-UHFFFAOYSA-N 0 3 254.337 2.104 20 30 CEEDHN C=CCCCCN1CCN(c2ccc(OCC)nn2)CC1 ZINC000662255484 415720024 /nfs/dbraw/zinc/72/00/24/415720024.db2.gz YWGOFADRKLCHJT-UHFFFAOYSA-N 0 3 290.411 2.354 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC=CCC2)CC1 ZINC000077594218 177283196 /nfs/dbraw/zinc/28/31/96/177283196.db2.gz YVRJCSPGVAVNKL-CYBMUJFWSA-N 0 3 263.385 2.045 20 30 CEEDHN N#CC(C(=O)c1cccc(-n2cccn2)n1)c1ccccn1 ZINC000077865842 177304490 /nfs/dbraw/zinc/30/44/90/177304490.db2.gz IBBCDQUTOSHXRU-LBPRGKRZSA-N 0 3 289.298 2.152 20 30 CEEDHN CN(Cc1cnc2c(C#N)cnn2c1)C[C@H]1CC=CCC1 ZINC000566798123 299022729 /nfs/dbraw/zinc/02/27/29/299022729.db2.gz WCRPZGIHVPFLBI-ZDUSSCGKSA-N 0 3 281.363 2.389 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](C)CC1 ZINC000335004093 225392785 /nfs/dbraw/zinc/39/27/85/225392785.db2.gz SFPNFORGORWHNN-CHWSQXEVSA-N 0 3 263.385 2.059 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000347042209 226024446 /nfs/dbraw/zinc/02/44/46/226024446.db2.gz UGLXWUFEFRSYFH-ZDUSSCGKSA-N 0 3 299.374 2.089 20 30 CEEDHN CC(C#N)C(=O)N1C[C@H](c2ccccc2)OC[C@H]1C ZINC000347125821 226036081 /nfs/dbraw/zinc/03/60/81/226036081.db2.gz CBAFGRRSMCXJQN-YRGRVCCFSA-N 0 3 258.321 2.135 20 30 CEEDHN C[C@@H]1CN(CCC#N)[C@@H](C)CN1Cc1ccccc1 ZINC000347601428 226212063 /nfs/dbraw/zinc/21/20/63/226212063.db2.gz LZPBZVROAUUWKT-LSDHHAIUSA-N 0 3 257.381 2.495 20 30 CEEDHN CC(C#N)C(=O)N1CCC(F)(c2cccnc2)CC1 ZINC000336494834 227063070 /nfs/dbraw/zinc/06/30/70/227063070.db2.gz YKJPVQGCFHSKFG-LLVKDONJSA-N 0 3 261.300 2.028 20 30 CEEDHN Cc1ncoc1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000330032045 228022828 /nfs/dbraw/zinc/02/28/28/228022828.db2.gz UKYQSBYKWUGVDV-UHFFFAOYSA-N 0 3 299.374 2.387 20 30 CEEDHN [O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+]C[C@@H]1CC=CCC1 ZINC000330187725 228059997 /nfs/dbraw/zinc/05/99/97/228059997.db2.gz KPGBENGUFXCSNV-CHWSQXEVSA-N 0 3 274.368 2.058 20 30 CEEDHN C[C@H](NC([O-])=[NH+][C@@H]1CCn2ccnc2C1)C1CCCC1 ZINC000330201919 228064369 /nfs/dbraw/zinc/06/43/69/228064369.db2.gz YOWSVVGFMSKXTP-WCQYABFASA-N 0 3 276.384 2.280 20 30 CEEDHN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000333309848 228196955 /nfs/dbraw/zinc/19/69/55/228196955.db2.gz LMDNQCJWLLWKRJ-IUODEOHRSA-N 0 3 284.363 2.146 20 30 CEEDHN C=CCCNC(=O)N(CCC)CCN1CCCCC1 ZINC000665942052 419486212 /nfs/dbraw/zinc/48/62/12/419486212.db2.gz BRXITUQNUOTPJH-UHFFFAOYSA-N 0 3 267.417 2.470 20 30 CEEDHN C#Cc1ccc(CNC(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000297609658 260130270 /nfs/dbraw/zinc/13/02/70/260130270.db2.gz ZYVQNJFBAOBRPJ-UHFFFAOYSA-N 0 3 297.402 2.094 20 30 CEEDHN C#C[C@H](CC)N[C@H](C)Cn1cc(Br)cn1 ZINC000309246118 260149704 /nfs/dbraw/zinc/14/97/04/260149704.db2.gz ZEIRFKJMZLBOEG-MWLCHTKSSA-N 0 3 270.174 2.036 20 30 CEEDHN C#C[C@@H](NC[C@@H](O)c1cc(F)ccc1F)C(C)C ZINC000310578682 260220126 /nfs/dbraw/zinc/22/01/26/260220126.db2.gz VJHYAHRCPPPVHL-ZIAGYGMSSA-N 0 3 253.292 2.246 20 30 CEEDHN C=CCOc1cccc(CN(CCO)[C@@H]2CCO[C@@H]2C)c1 ZINC000449675605 260797460 /nfs/dbraw/zinc/79/74/60/260797460.db2.gz AULLFQXNQVHDLU-RHSMWYFYSA-N 0 3 291.391 2.223 20 30 CEEDHN CCN(CC)[C@H](CNC(=O)CC#N)c1ccsc1 ZINC000153576867 261080394 /nfs/dbraw/zinc/08/03/94/261080394.db2.gz SAMDIEQJESRTIQ-GFCCVEGCSA-N 0 3 265.382 2.161 20 30 CEEDHN CC[C@@H](Cc1ccc(C)cc1)N(CC)CC(=O)NCC#N ZINC000173992392 261174216 /nfs/dbraw/zinc/17/42/16/261174216.db2.gz KTFWPYNLNKLPOV-INIZCTEOSA-N 0 3 287.407 2.278 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@H]2c2cccnc2)CC1 ZINC000106034117 261320382 /nfs/dbraw/zinc/32/03/82/261320382.db2.gz QYHNPVARIYKMHN-IRXDYDNUSA-N 0 3 299.418 2.342 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](c1cccnc1)C1CCCCC1 ZINC000363644830 261322105 /nfs/dbraw/zinc/32/21/05/261322105.db2.gz KHEKQUZVFBWEIZ-YOEHRIQHSA-N 0 3 299.418 2.431 20 30 CEEDHN C=CCSCCNCc1c[nH]nc1-c1cccnc1 ZINC000105462399 261359539 /nfs/dbraw/zinc/35/95/39/261359539.db2.gz ZUZWHYRPSLPLHI-UHFFFAOYSA-N 0 3 274.393 2.481 20 30 CEEDHN C#CCN(C(=O)NC[C@H](C)N1CCCC[C@@H]1C)C1CC1 ZINC000491231696 261381900 /nfs/dbraw/zinc/38/19/00/261381900.db2.gz VMYJPKRQTVKUAR-KBPBESRZSA-N 0 3 277.412 2.057 20 30 CEEDHN C#C[C@@H](C)N(C)C[C@H](O)COc1cc(C)ccc1Cl ZINC000491375225 261483453 /nfs/dbraw/zinc/48/34/53/261483453.db2.gz VHIYKVOYUUYFOY-OLZOCXBDSA-N 0 3 281.783 2.342 20 30 CEEDHN CNC(=O)c1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185712758 262067835 /nfs/dbraw/zinc/06/78/35/262067835.db2.gz DRIDGTLYJAWNHH-WFASDCNBSA-N 0 3 271.364 2.218 20 30 CEEDHN CN1CC[C@@H](CNC(=O)CC#N)[C@H]1c1cccc(Cl)c1 ZINC000364369552 262220120 /nfs/dbraw/zinc/22/01/20/262220120.db2.gz NDFDVWGTGZTTPN-SWLSCSKDSA-N 0 3 291.782 2.363 20 30 CEEDHN C=CCOc1ccc(CNC[C@@](C)(O)CSC)cc1 ZINC000120619431 262220185 /nfs/dbraw/zinc/22/01/85/262220185.db2.gz NTIYAFLICHAPGT-OAHLLOKOSA-N 0 3 281.421 2.455 20 30 CEEDHN CCOC(=O)C1CCC(N[C@H](CC)CC#N)CC1 ZINC000184090407 262269112 /nfs/dbraw/zinc/26/91/12/262269112.db2.gz QNSXNRYZKFUUGB-OTTFEQOBSA-N 0 3 252.358 2.390 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1C1CCC1 ZINC000365111473 262279360 /nfs/dbraw/zinc/27/93/60/262279360.db2.gz WGKAKAWIFLMNRA-ZBFHGGJFSA-N 0 3 277.412 2.305 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC(C)(C(C)C)CC1 ZINC000186194293 262312846 /nfs/dbraw/zinc/31/28/46/262312846.db2.gz CBHZMENQUXPYKA-ZDUSSCGKSA-N 0 3 252.402 2.435 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H](C)CC2)CC1 ZINC000188919070 262316870 /nfs/dbraw/zinc/31/68/70/262316870.db2.gz FCAQBQPGIJYHPA-GOEBONIOSA-N 0 3 276.424 2.417 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](C3CC3)C2)cc1 ZINC000369293397 262369686 /nfs/dbraw/zinc/36/96/86/262369686.db2.gz KKFNGXYLIVGKEE-SJORKVTESA-N 0 3 293.370 2.499 20 30 CEEDHN CC(C)(C#N)CCCCN1CC[C@H](n2cncn2)C1 ZINC000365633656 262377245 /nfs/dbraw/zinc/37/72/45/262377245.db2.gz LJYQPEAUZRYKBG-ZDUSSCGKSA-N 0 3 261.373 2.245 20 30 CEEDHN C=CCCCCNC(=O)C1CCN(C2CC2)CC1 ZINC000338868095 262566549 /nfs/dbraw/zinc/56/65/49/262566549.db2.gz YLOFNHPSRDRJGQ-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN C[C@@H](NCCCC#N)c1ccc(NS(C)(=O)=O)cc1 ZINC000271734427 262998732 /nfs/dbraw/zinc/99/87/32/262998732.db2.gz HHAGZMMSMLXWBU-LLVKDONJSA-N 0 3 281.381 2.012 20 30 CEEDHN Cn1ccnc1[C@@H](O)C1CCN(CCC(C)(C)C#N)CC1 ZINC000272019477 263001397 /nfs/dbraw/zinc/00/13/97/263001397.db2.gz MKKNWFVEOJHOEI-AWEZNQCLSA-N 0 3 290.411 2.105 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@H](CC(C)(C)C)C1 ZINC000452075591 263034323 /nfs/dbraw/zinc/03/43/23/263034323.db2.gz IFQFHVUVCJIFAN-OLZOCXBDSA-N 0 3 252.402 2.435 20 30 CEEDHN Cc1cccc2c1CN(CCC(=O)N(C)CCC#N)CC2 ZINC000277057103 263039451 /nfs/dbraw/zinc/03/94/51/263039451.db2.gz CXZIAPRJGINNNI-UHFFFAOYSA-N 0 3 285.391 2.115 20 30 CEEDHN N#CCOc1cccc(NC(=O)C2CCN(C3CC3)CC2)c1 ZINC000278346674 263047357 /nfs/dbraw/zinc/04/73/57/263047357.db2.gz YWUKZGHLJUJZPW-UHFFFAOYSA-N 0 3 299.374 2.402 20 30 CEEDHN Cn1cc([C@H]2OCCC[C@@H]2N[C@@H]2CCC[C@H](C#N)C2)cn1 ZINC000278457160 263048246 /nfs/dbraw/zinc/04/82/46/263048246.db2.gz ZDCADQCXMRCZIQ-DRPJVOAASA-N 0 3 288.395 2.312 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCSCC2)cc1 ZINC000279200295 263053553 /nfs/dbraw/zinc/05/35/53/263053553.db2.gz APRCUCYTXWXFQN-AWEZNQCLSA-N 0 3 299.399 2.252 20 30 CEEDHN CC(C)CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279812766 263057396 /nfs/dbraw/zinc/05/73/96/263057396.db2.gz XMEWZJSYQNHNNG-HNNXBMFYSA-N 0 3 269.348 2.355 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2CCC2)cc1 ZINC000279801462 263057453 /nfs/dbraw/zinc/05/74/53/263057453.db2.gz WKHJJLPYZRRNNX-HNNXBMFYSA-N 0 3 267.332 2.157 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2CCC2)cc1 ZINC000279801464 263057514 /nfs/dbraw/zinc/05/75/14/263057514.db2.gz WKHJJLPYZRRNNX-OAHLLOKOSA-N 0 3 267.332 2.157 20 30 CEEDHN CSC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280323848 263060471 /nfs/dbraw/zinc/06/04/71/263060471.db2.gz GWQCVLACRXSCRZ-RISCZKNCSA-N 0 3 287.388 2.108 20 30 CEEDHN C#C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000281883585 263072735 /nfs/dbraw/zinc/07/27/35/263072735.db2.gz FHEKPEVVOFTZNA-HOTGVXAUSA-N 0 3 279.343 2.015 20 30 CEEDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc(OCC#N)cc1 ZINC000283052200 263080569 /nfs/dbraw/zinc/08/05/69/263080569.db2.gz JAGMGNINUNILRX-CHWSQXEVSA-N 0 3 290.363 2.266 20 30 CEEDHN N#CCSCCCN1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340206815 263093116 /nfs/dbraw/zinc/09/31/16/263093116.db2.gz VWGSPWGOMHXAGA-QWRGUYRKSA-N 0 3 296.358 2.411 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1cc(OC)ccn1 ZINC000340208362 263093408 /nfs/dbraw/zinc/09/34/08/263093408.db2.gz LQIYWTNTBSPEAR-UHFFFAOYSA-N 0 3 263.385 2.030 20 30 CEEDHN CC[C@@H](O)CN(CCOCCC#N)Cc1ccccc1 ZINC000293777881 263149469 /nfs/dbraw/zinc/14/94/69/263149469.db2.gz LLZGUWOXDYNADU-MRXNPFEDSA-N 0 3 276.380 2.190 20 30 CEEDHN C[C@@H](CCC#N)N1CC[C@H](OCc2ccncc2)C1 ZINC000298524922 263221516 /nfs/dbraw/zinc/22/15/16/263221516.db2.gz LTFDDHNPSMMLDO-ZFWWWQNUSA-N 0 3 259.353 2.365 20 30 CEEDHN CC(C)(NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000299607154 263249338 /nfs/dbraw/zinc/24/93/38/263249338.db2.gz MFQAUGOVSMMENB-QGZVFWFLSA-N 0 3 285.391 2.320 20 30 CEEDHN N#CCC[C@H](C#N)CN1CCN(C2CCCCC2)CC1 ZINC000163925730 263263765 /nfs/dbraw/zinc/26/37/65/263263765.db2.gz QQETXKLTXQFUGJ-OAHLLOKOSA-N 0 3 274.412 2.380 20 30 CEEDHN Cc1cnc(CCNCc2cc(C#N)cs2)cn1 ZINC000453592970 263277608 /nfs/dbraw/zinc/27/76/08/263277608.db2.gz FZUBVLSKIMYWFY-UHFFFAOYSA-N 0 3 258.350 2.051 20 30 CEEDHN CC#CCN(C)C[C@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000341011773 263316312 /nfs/dbraw/zinc/31/63/12/263316312.db2.gz GUZUJDYWWHLEQA-CHWSQXEVSA-N 0 3 281.400 2.011 20 30 CEEDHN C=CC[C@H](CO)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000341378504 263334945 /nfs/dbraw/zinc/33/49/45/263334945.db2.gz PYVQACDEBZLYLX-ZDUSSCGKSA-N 0 3 264.325 2.177 20 30 CEEDHN C=C1CCN(C[C@@H](O)COCc2ccc(OC)cc2)CC1 ZINC000341998964 263375151 /nfs/dbraw/zinc/37/51/51/263375151.db2.gz JCVMTFYKEQHPNO-MRXNPFEDSA-N 0 3 291.391 2.225 20 30 CEEDHN CN(C)[C@H](CC(=O)N[C@@]1(C#N)CC1(C)C)c1ccccc1 ZINC000416235363 263681441 /nfs/dbraw/zinc/68/14/41/263681441.db2.gz SZLJMBSCFFSSJV-RHSMWYFYSA-N 0 3 285.391 2.488 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1cnn(CC)c1 ZINC000330679495 264002988 /nfs/dbraw/zinc/00/29/88/264002988.db2.gz XTEODBNUISPCQL-ZDUSSCGKSA-N 0 3 264.373 2.082 20 30 CEEDHN CCn1nccc1NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000330698947 264006080 /nfs/dbraw/zinc/00/60/80/264006080.db2.gz XBQDYVXFVDYRJO-CYBMUJFWSA-N 0 3 293.415 2.349 20 30 CEEDHN CC[C@@H](C)n1ncc(NC(=O)N(C)CCN(C)C)c1C ZINC000331113155 264127942 /nfs/dbraw/zinc/12/79/42/264127942.db2.gz JFKAQFDTJGRJMJ-LLVKDONJSA-N 0 3 281.404 2.201 20 30 CEEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@@H](C)O1 ZINC000331208924 264161832 /nfs/dbraw/zinc/16/18/32/264161832.db2.gz WCQQRZGHOLMZLI-FMKPAKJESA-N 0 3 286.375 2.395 20 30 CEEDHN CCN1CCC(NC(=O)Nc2nc(COC)cs2)CC1 ZINC000331251538 264180980 /nfs/dbraw/zinc/18/09/80/264180980.db2.gz PHMQRQWNSHTTCA-UHFFFAOYSA-N 0 3 298.412 2.100 20 30 CEEDHN Cc1ccc(C)c(C(=O)NC[C@@H]2CCCCN2CCO)c1 ZINC000331343397 264196348 /nfs/dbraw/zinc/19/63/48/264196348.db2.gz UHNDGCYCGCATAI-HNNXBMFYSA-N 0 3 290.407 2.455 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)NCc1cscn1 ZINC000331307345 264201071 /nfs/dbraw/zinc/20/10/71/264201071.db2.gz FJAMCBOMGBZFMQ-GFCCVEGCSA-N 0 3 296.440 2.267 20 30 CEEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H](OC)C1CC1 ZINC000425404873 264283224 /nfs/dbraw/zinc/28/32/24/264283224.db2.gz WYDJEISAJFTGIW-QGZVFWFLSA-N 0 3 288.391 2.432 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000425448212 264325690 /nfs/dbraw/zinc/32/56/90/264325690.db2.gz IDPYKJUPADXPIH-LSDHHAIUSA-N 0 3 277.412 2.125 20 30 CEEDHN C#CCCOc1ccc(CN2CC[C@](C)(O)C2)cc1 ZINC000180193566 264392979 /nfs/dbraw/zinc/39/29/79/264392979.db2.gz GXGRBAHBZSJDJG-INIZCTEOSA-N 0 3 259.349 2.045 20 30 CEEDHN C#C[C@H](NCc1ccc(-n2cncn2)c(C)c1)C(C)C ZINC000289085400 264702266 /nfs/dbraw/zinc/70/22/66/264702266.db2.gz BDSHAQYJXQUNSA-HNNXBMFYSA-N 0 3 268.364 2.323 20 30 CEEDHN C=C[C@H](CO)N[C@H]1CCCc2nc(CC)sc21 ZINC000289743050 264730270 /nfs/dbraw/zinc/73/02/70/264730270.db2.gz KRWUEGDWWKEBHU-ZJUUUORDSA-N 0 3 252.383 2.219 20 30 CEEDHN C=CCN(C[C@@H](O)COCc1ccccc1OC)C1CC1 ZINC000357549669 266320060 /nfs/dbraw/zinc/32/00/60/266320060.db2.gz CMPRVXUHSGFRRM-MRXNPFEDSA-N 0 3 291.391 2.223 20 30 CEEDHN CC(C#N)C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000357794385 266365148 /nfs/dbraw/zinc/36/51/48/266365148.db2.gz DBUMHBGCIIVRJT-NSHDSACASA-N 0 3 288.347 2.011 20 30 CEEDHN C=CCOCCCC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000361777970 266883743 /nfs/dbraw/zinc/88/37/43/266883743.db2.gz ZYQAFLAMZDWBKZ-HUUCEWRRSA-N 0 3 282.428 2.348 20 30 CEEDHN CC1=C[C@@H](C)CN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528489125 266986924 /nfs/dbraw/zinc/98/69/24/266986924.db2.gz PLRZVGRIZBRZRS-CZUORRHYSA-N 0 3 286.375 2.196 20 30 CEEDHN CCCCN(C)CCNC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435012533 267003958 /nfs/dbraw/zinc/00/39/58/267003958.db2.gz IZUDSDIWFAUBGL-UHFFFAOYSA-N 0 3 299.418 2.438 20 30 CEEDHN CCC[C@@H](C)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC000421383515 267031078 /nfs/dbraw/zinc/03/10/78/267031078.db2.gz NHEQSTAAQWYBAN-GFCCVEGCSA-N 0 3 291.370 2.339 20 30 CEEDHN CCN(CC)CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425120870 267057569 /nfs/dbraw/zinc/05/75/69/267057569.db2.gz BGOVJHXEWDLHPI-CYBMUJFWSA-N 0 3 273.380 2.419 20 30 CEEDHN C#Cc1ccc(CN2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)cc1 ZINC000368015212 267135095 /nfs/dbraw/zinc/13/50/95/267135095.db2.gz CCEPLIFFBNNSFO-IKGGRYGDSA-N 0 3 282.387 2.286 20 30 CEEDHN CCO[C@@H]1C[C@H](NCc2cccc(C#N)c2)[C@@H]1n1cccn1 ZINC000521470315 267152777 /nfs/dbraw/zinc/15/27/77/267152777.db2.gz KOGPROMHEDJFSD-BBWFWOEESA-N 0 3 296.374 2.263 20 30 CEEDHN CCO[C@H]1COCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000439446788 267156254 /nfs/dbraw/zinc/15/62/54/267156254.db2.gz XSXXSIHTSZFYLE-CABCVRRESA-N 0 3 294.782 2.495 20 30 CEEDHN CC[C@@H](C)N[C@@H](CNc1nccc(C#N)n1)c1ccco1 ZINC000450527963 267186433 /nfs/dbraw/zinc/18/64/33/267186433.db2.gz IYWUBTOSJHHBBX-YPMHNXCESA-N 0 3 285.351 2.483 20 30 CEEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)[C@H](O)C(F)F ZINC000421379449 267195957 /nfs/dbraw/zinc/19/59/57/267195957.db2.gz IWUPGGIEGRDEPY-NEPJUHHUSA-N 0 3 272.270 2.192 20 30 CEEDHN N#CCCCCN1CCC[C@@H](N2CCCCC2=O)C1 ZINC000369274036 267230792 /nfs/dbraw/zinc/23/07/92/267230792.db2.gz MAALEAHBQICZMH-CQSZACIVSA-N 0 3 263.385 2.157 20 30 CEEDHN C#CCCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000369857365 267272020 /nfs/dbraw/zinc/27/20/20/267272020.db2.gz GRAVWQUKHYCIPA-DLBZAZTESA-N 0 3 299.418 2.317 20 30 CEEDHN C=C[C@H](C)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000119311363 267321773 /nfs/dbraw/zinc/32/17/73/267321773.db2.gz MVVVQOXNMWOYEG-NWDGAFQWSA-N 0 3 282.409 2.162 20 30 CEEDHN CN1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000515610398 267335278 /nfs/dbraw/zinc/33/52/78/267335278.db2.gz YKUBKOXABMARBR-BHYGNILZSA-N 0 3 297.402 2.120 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H]([C@@H](C)O)C2)cc1 ZINC000305856760 268009308 /nfs/dbraw/zinc/00/93/08/268009308.db2.gz KWOKDZRTEOVKOR-UKRRQHHQSA-N 0 3 261.365 2.454 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)NCC(C)(C)CCC#N)[C@@H]2C1 ZINC000377029779 268042486 /nfs/dbraw/zinc/04/24/86/268042486.db2.gz KABBMZNWZVNJEK-ZIAGYGMSSA-N 0 3 292.427 2.052 20 30 CEEDHN Cc1ccc([C@@H](CNc2cncc(C#N)n2)N2CCCC2)o1 ZINC000420590732 268043829 /nfs/dbraw/zinc/04/38/29/268043829.db2.gz WYOVPTRTHZZHDY-CQSZACIVSA-N 0 3 297.362 2.499 20 30 CEEDHN N#Cc1ccc(CNCCCC2(O)CCC2)s1 ZINC000421380790 268232133 /nfs/dbraw/zinc/23/21/33/268232133.db2.gz WAWLANMFLHUPJJ-UHFFFAOYSA-N 0 3 250.367 2.405 20 30 CEEDHN N#Cc1cccc(NC(=O)NC[C@@H]2CCN2C2CCCC2)n1 ZINC000529125961 268280572 /nfs/dbraw/zinc/28/05/72/268280572.db2.gz WVPBEZQAQYZQJD-AWEZNQCLSA-N 0 3 299.378 2.092 20 30 CEEDHN CCN1CCC[C@H]1CN(C)c1ncc2c(c1C#N)CCC2 ZINC000425228564 271141528 /nfs/dbraw/zinc/14/15/28/271141528.db2.gz KKAKGCJLRAFTIX-AWEZNQCLSA-N 0 3 284.407 2.362 20 30 CEEDHN C[C@@H]1CN2CCC[C@@H]2CN1c1nccc(C#N)c1Cl ZINC000235390216 274374895 /nfs/dbraw/zinc/37/48/95/274374895.db2.gz HFQGXXBKKUYCCY-ZYHUDNBSSA-N 0 3 276.771 2.280 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@H]2COc3ccc(F)cc3C2)C1 ZINC000343918621 274916827 /nfs/dbraw/zinc/91/68/27/274916827.db2.gz BIAJPSPUUNSZJV-LERXQTSPSA-N 0 3 260.312 2.411 20 30 CEEDHN C#Cc1ccc(CNC(=O)N[C@@H](C)CN2CCCCC2)cc1 ZINC000296261240 275387914 /nfs/dbraw/zinc/38/79/14/275387914.db2.gz CANGONUMIFYATA-HNNXBMFYSA-N 0 3 299.418 2.342 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H](C)C[C@H](C)[C@H]1C ZINC000355784460 276036606 /nfs/dbraw/zinc/03/66/06/276036606.db2.gz PPCUNJTVMJBHGN-CTASWTNQSA-N 0 3 279.428 2.407 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC000329341750 276168370 /nfs/dbraw/zinc/16/83/70/276168370.db2.gz PEGBCCOCUXBPLA-SDDRHHMPSA-N 0 3 267.373 2.182 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H]1CCCc2nc(C)sc21 ZINC000186719813 276907647 /nfs/dbraw/zinc/90/76/47/276907647.db2.gz MJFSPVNESSHPAX-CMPLNLGQSA-N 0 3 252.383 2.356 20 30 CEEDHN CO[C@](C)(CNCc1cnc2ccc(C#N)cn12)C1CC1 ZINC000361143625 277357385 /nfs/dbraw/zinc/35/73/85/277357385.db2.gz LBLUXGCAHVKQPN-MRXNPFEDSA-N 0 3 284.363 2.111 20 30 CEEDHN CS[C@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1N(C)C ZINC000270370399 278168530 /nfs/dbraw/zinc/16/85/30/278168530.db2.gz MRSVCMKVDYIZLZ-NEPJUHHUSA-N 0 3 296.827 2.088 20 30 CEEDHN COc1cc(C)cnc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000330226567 533690798 /nfs/dbraw/zinc/69/07/98/533690798.db2.gz UNHIFCNXZNRVCV-GFCCVEGCSA-N 0 3 289.379 2.354 20 30 CEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(C#N)cc1 ZINC000285875789 279996059 /nfs/dbraw/zinc/99/60/59/279996059.db2.gz QODCBVOEZMSROX-BBRMVZONSA-N 0 3 283.375 2.257 20 30 CEEDHN CC[C@@H](NC[C@H](COC)OC)c1ccc(C#N)cc1 ZINC000278866849 280189689 /nfs/dbraw/zinc/18/96/89/280189689.db2.gz WQWQFGKCJLHAAO-HUUCEWRRSA-N 0 3 262.353 2.260 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](CC(N)=O)C1 ZINC000249087381 280383404 /nfs/dbraw/zinc/38/34/04/280383404.db2.gz CGVHTRPDTYQREA-JSGCOSHPSA-N 0 3 271.364 2.207 20 30 CEEDHN CC[C@H]1CCCC[C@H]1N(C)CC(=O)NC1(C#N)CCC1 ZINC000347204093 281067683 /nfs/dbraw/zinc/06/76/83/281067683.db2.gz GWOPQDQVIUPVGM-UONOGXRCSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC(C(C)(C)C)CC1 ZINC000172032254 335090271 /nfs/dbraw/zinc/09/02/71/335090271.db2.gz YRWBEJCTGRUPMU-LBPRGKRZSA-N 0 3 252.402 2.435 20 30 CEEDHN CCc1ccc(C#CC(=O)N(C)C[C@H]2CCCN(C)C2)cc1 ZINC000294529466 281390770 /nfs/dbraw/zinc/39/07/70/281390770.db2.gz ZTFRHRNCMVAXBF-SFHVURJKSA-N 0 3 298.430 2.401 20 30 CEEDHN COC(=O)[C@@H](C)CN(Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000156788025 289203059 /nfs/dbraw/zinc/20/30/59/289203059.db2.gz ZRKJMXPKCAZQQC-NSHDSACASA-N 0 3 290.338 2.471 20 30 CEEDHN C[C@H](NCCOC[C@H]1CCCO1)c1cccc(C#N)c1 ZINC000537295896 298208296 /nfs/dbraw/zinc/20/82/96/298208296.db2.gz OPBHQQQTDCAKTC-XJKSGUPXSA-N 0 3 274.364 2.404 20 30 CEEDHN CCO[C@@H]1C[C@H](NCc2cc(C#N)cs2)[C@@]12CCCO2 ZINC000544708922 298326864 /nfs/dbraw/zinc/32/68/64/298326864.db2.gz MNDOPDXTXWGZSH-ZNMIVQPWSA-N 0 3 292.404 2.436 20 30 CEEDHN CCC(=O)N1CC[C@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000564258377 298822027 /nfs/dbraw/zinc/82/20/27/298822027.db2.gz DEDNNTLPHISVDV-GOEBONIOSA-N 0 3 283.375 2.146 20 30 CEEDHN N#Cc1csc(CNCCCNC(=O)C2CCC2)c1 ZINC000176987727 312715229 /nfs/dbraw/zinc/71/52/29/312715229.db2.gz FQQHKSXXRBSHEK-UHFFFAOYSA-N 0 3 277.393 2.016 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)nc1 ZINC000570341526 314034929 /nfs/dbraw/zinc/03/49/29/314034929.db2.gz ITOKNHLWOTWEKS-HUUCEWRRSA-N 0 3 271.364 2.202 20 30 CEEDHN C[C@H]1CCN(CCNC(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000574148553 314190400 /nfs/dbraw/zinc/19/04/00/314190400.db2.gz MMHVUHNLXPJCPM-NSHDSACASA-N 0 3 291.782 2.283 20 30 CEEDHN C=CCOc1ccccc1CNCC1([S@](C)=O)CC1 ZINC000380215697 327857241 /nfs/dbraw/zinc/85/72/41/327857241.db2.gz RSYXAYWNBOEJPC-IBGZPJMESA-N 0 3 279.405 2.252 20 30 CEEDHN C[C@H](C#N)C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000337005136 327948836 /nfs/dbraw/zinc/94/88/36/327948836.db2.gz ZIOFYKZVHPRRSZ-OAHLLOKOSA-N 0 3 287.407 2.169 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CC(C)(C)C ZINC000339249065 328003495 /nfs/dbraw/zinc/00/34/95/328003495.db2.gz LFSKFCWFEXFVAC-SWLSCSKDSA-N 0 3 267.417 2.407 20 30 CEEDHN CCN(CCC#N)C(=O)Nc1cccc2c1CCNC2 ZINC000563499105 328069853 /nfs/dbraw/zinc/06/98/53/328069853.db2.gz MKQRFJFDIGGSEB-UHFFFAOYSA-N 0 3 272.352 2.100 20 30 CEEDHN CN(CCC1(C#N)CCCCC1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000411768892 328099241 /nfs/dbraw/zinc/09/92/41/328099241.db2.gz JGWMYIUIBJGNOO-CVEARBPZSA-N 0 3 291.439 2.255 20 30 CEEDHN COC(=O)[C@]1(c2ccccc2)CCN([C@H](C)CCC#N)C1 ZINC000411764470 328099376 /nfs/dbraw/zinc/09/93/76/328099376.db2.gz YGAZSSCBNKTUCM-RHSMWYFYSA-N 0 3 286.375 2.495 20 30 CEEDHN C=C(CNCc1cnc(N(C)C)n1C)c1ccccc1 ZINC000414306940 328154418 /nfs/dbraw/zinc/15/44/18/328154418.db2.gz RRRYDYMOZWWUOJ-UHFFFAOYSA-N 0 3 270.380 2.289 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](C)[C@@H]1C ZINC000172864155 329139408 /nfs/dbraw/zinc/13/94/08/329139408.db2.gz RIANJFXGNDFYLY-IHRRRGAJSA-N 0 3 265.401 2.115 20 30 CEEDHN C[C@@H](NC(=O)c1cccc(CC#N)c1)C1=CCN(C)CC1 ZINC000272996433 328202523 /nfs/dbraw/zinc/20/25/23/328202523.db2.gz QSIYUZOQQMVLIH-CYBMUJFWSA-N 0 3 283.375 2.133 20 30 CEEDHN CN(C)C[C@@H](NC(=O)CCCC#N)c1ccc(F)cc1 ZINC000291541479 328265009 /nfs/dbraw/zinc/26/50/09/328265009.db2.gz USSJLSISAOXZSW-CQSZACIVSA-N 0 3 277.343 2.238 20 30 CEEDHN CC[C@H](O)CNCc1ccc(OC)c(OCCCC#N)c1 ZINC000291696999 328265754 /nfs/dbraw/zinc/26/57/54/328265754.db2.gz JUJYULDBDVJJTB-AWEZNQCLSA-N 0 3 292.379 2.238 20 30 CEEDHN C[C@@H](CS(C)(=O)=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000340444230 328278234 /nfs/dbraw/zinc/27/82/34/328278234.db2.gz HCXOPLFDTVUJLH-ZFWWWQNUSA-N 0 3 294.420 2.444 20 30 CEEDHN N#Cc1ccc(CN2CCN(C3CCCCC3)CC2)nc1 ZINC000582129898 322449613 /nfs/dbraw/zinc/44/96/13/322449613.db2.gz IGIGKCGGBKVVEZ-UHFFFAOYSA-N 0 3 284.407 2.404 20 30 CEEDHN CCC[C@@H](C)N1CCN(c2cnccc2C#N)CC1 ZINC000583239934 322533430 /nfs/dbraw/zinc/53/34/30/322533430.db2.gz ZYGKWODJDCWXSA-CYBMUJFWSA-N 0 3 258.369 2.264 20 30 CEEDHN CC(C)OC[C@@H](O)CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000583495192 322549892 /nfs/dbraw/zinc/54/98/92/322549892.db2.gz ULEXDBFTFRNZII-DOTOQJQBSA-N 0 3 288.391 2.311 20 30 CEEDHN C=CCCC[C@H](C)N1CCN(Cc2ncc[nH]2)CC1 ZINC000340887233 328402177 /nfs/dbraw/zinc/40/21/77/328402177.db2.gz ZFSMBTNKLQGLGI-AWEZNQCLSA-N 0 3 262.401 2.272 20 30 CEEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)N1CCCCC1 ZINC000185815747 329329613 /nfs/dbraw/zinc/32/96/13/329329613.db2.gz ZFXAXOLPDSOBGE-MELADBBJSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@H](CNC(=O)C1(C#N)CCCCC1)N1CCCC1 ZINC000109476141 326855464 /nfs/dbraw/zinc/85/54/64/326855464.db2.gz WZIPEMKRJFIQEN-CYBMUJFWSA-N 0 3 263.385 2.061 20 30 CEEDHN C[C@@H]1CN(CCCCC#N)CCN(CC(F)(F)F)C1 ZINC000451875711 331045733 /nfs/dbraw/zinc/04/57/33/331045733.db2.gz WEHMYMBESIELON-GFCCVEGCSA-N 0 3 277.334 2.496 20 30 CEEDHN CC[C@H](CO)NCc1ccc(OC)c(OCCCC#N)c1 ZINC000072049921 327108739 /nfs/dbraw/zinc/10/87/39/327108739.db2.gz KTCPZJMYACSLAU-CQSZACIVSA-N 0 3 292.379 2.238 20 30 CEEDHN Cc1nn(-c2ccncc2)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000566095203 327133198 /nfs/dbraw/zinc/13/31/98/327133198.db2.gz GBYWBHWFQKIJNT-DZGCQCFKSA-N 0 3 281.363 2.358 20 30 CEEDHN C=CCN(CCOC)CCC(=O)N1CCc2ccccc21 ZINC000191076260 327168630 /nfs/dbraw/zinc/16/86/30/327168630.db2.gz JBJDEDAMOSHDRE-UHFFFAOYSA-N 0 3 288.391 2.100 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CC2(C)C)CC1 ZINC000358197272 327236537 /nfs/dbraw/zinc/23/65/37/327236537.db2.gz WTMKFJQPRGXEEM-ZDUSSCGKSA-N 0 3 265.401 2.125 20 30 CEEDHN C=CCCCCN1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000560314874 327298186 /nfs/dbraw/zinc/29/81/86/327298186.db2.gz QLGIGVNJIXZJIQ-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN C=C(CNC(=O)N1CCC[C@H](N(C)C)C1)c1ccccc1 ZINC000358585046 328887919 /nfs/dbraw/zinc/88/79/19/328887919.db2.gz IMLGLVRYOHXUQJ-INIZCTEOSA-N 0 3 287.407 2.435 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000458982322 329059322 /nfs/dbraw/zinc/05/93/22/329059322.db2.gz ALRDBULGYIHMLR-CYBMUJFWSA-N 0 3 265.401 2.077 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000172962869 329141261 /nfs/dbraw/zinc/14/12/61/329141261.db2.gz QCOBMDRSNCRZAO-MCIONIFRSA-N 0 3 264.413 2.387 20 30 CEEDHN CC(C)(C#N)CCCN1CCC(NC(=O)C2CC2)CC1 ZINC000174820281 329159725 /nfs/dbraw/zinc/15/97/25/329159725.db2.gz JNRWPFVDLYWGOS-UHFFFAOYSA-N 0 3 277.412 2.307 20 30 CEEDHN C=CCN1CCC(Nc2cncc(SC)n2)CC1 ZINC000184014708 329252482 /nfs/dbraw/zinc/25/24/82/329252482.db2.gz SEDCTGGXXNXZDZ-UHFFFAOYSA-N 0 3 264.398 2.261 20 30 CEEDHN C=CCOc1ccccc1CNC[C@H](O)COC(C)C ZINC000582840592 329276621 /nfs/dbraw/zinc/27/66/21/329276621.db2.gz COWQTAOAPYMYGC-HNNXBMFYSA-N 0 3 279.380 2.127 20 30 CEEDHN N#CCC1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000397178851 329346165 /nfs/dbraw/zinc/34/61/65/329346165.db2.gz XCSWVFDXFWJLTI-KRWDZBQOSA-N 0 3 288.391 2.190 20 30 CEEDHN CO[C@H](C)c1nc(CNC(=N)Nc2ccccn2)cs1 ZINC000262863422 330035919 /nfs/dbraw/zinc/03/59/19/330035919.db2.gz ZZFQIVBXXUXCGH-SECBINFHSA-N 0 3 291.380 2.172 20 30 CEEDHN C#CC[C@@H](NC[C@H](O)COCC(C)C)c1ccccc1 ZINC000271703465 330081884 /nfs/dbraw/zinc/08/18/84/330081884.db2.gz NBKIQPSZWPPXOX-DLBZAZTESA-N 0 3 275.392 2.374 20 30 CEEDHN C#CCCCN(CCC(=O)OCC)Cc1cccnc1 ZINC000274134427 330103300 /nfs/dbraw/zinc/10/33/00/330103300.db2.gz FTHVXFRUXYALSC-UHFFFAOYSA-N 0 3 274.364 2.250 20 30 CEEDHN CC[C@H](O)CNCc1cccc(OCCCC#N)c1 ZINC000422085386 330123882 /nfs/dbraw/zinc/12/38/82/330123882.db2.gz MIJJGJMAANSEOM-AWEZNQCLSA-N 0 3 262.353 2.230 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccccc1N1CCCC1 ZINC000424056821 330218470 /nfs/dbraw/zinc/21/84/70/330218470.db2.gz IDOORMGDHLRDFV-CYBMUJFWSA-N 0 3 286.379 2.246 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1cccs1)C1CC1 ZINC000424059786 330218757 /nfs/dbraw/zinc/21/87/57/330218757.db2.gz BVAUEVVJGNZBJT-AAEUAGOBSA-N 0 3 277.393 2.337 20 30 CEEDHN Cc1ccsc1CN(C)C(=O)[C@@H](N)CCCC#N ZINC000424058887 330218811 /nfs/dbraw/zinc/21/88/11/330218811.db2.gz ARNMDBMIVNMVLD-NSHDSACASA-N 0 3 265.382 2.036 20 30 CEEDHN Cc1ccc(SCCNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424064968 330219007 /nfs/dbraw/zinc/21/90/07/330219007.db2.gz KWLANVGCWVJNKF-CQSZACIVSA-N 0 3 291.420 2.225 20 30 CEEDHN C[C@H]1CCc2nc(NC(=O)[C@H](N)CCCC#N)sc2C1 ZINC000424066765 330219483 /nfs/dbraw/zinc/21/94/83/330219483.db2.gz NVEMUUUHDXKAIK-VHSXEESVSA-N 0 3 292.408 2.228 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1nc2ccccc2s1 ZINC000424075113 330220717 /nfs/dbraw/zinc/22/07/17/330220717.db2.gz ITYLEJPEMPQINO-SECBINFHSA-N 0 3 274.349 2.256 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000424098870 330230615 /nfs/dbraw/zinc/23/06/15/330230615.db2.gz HUVRUOUYUNJJMB-UONOGXRCSA-N 0 3 291.782 2.465 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000424109661 330237170 /nfs/dbraw/zinc/23/71/70/330237170.db2.gz WEUHTTZXKIGFTD-MRXNPFEDSA-N 0 3 285.391 2.265 20 30 CEEDHN CCN(Cc1c(F)cccc1F)C(=O)[C@@H](N)CCCC#N ZINC000424113260 330241857 /nfs/dbraw/zinc/24/18/57/330241857.db2.gz MTVYMAPOFFLWQN-AWEZNQCLSA-N 0 3 295.333 2.334 20 30 CEEDHN CC(C)[C@@H]1CCC[C@H](NC(=O)[C@@H](N)CCCC#N)C1 ZINC000424119680 330247487 /nfs/dbraw/zinc/24/74/87/330247487.db2.gz CYJLCBYSSDYLPT-RDBSUJKOSA-N 0 3 265.401 2.339 20 30 CEEDHN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)[C@H](N)CCCC#N ZINC000424122254 330254215 /nfs/dbraw/zinc/25/42/15/330254215.db2.gz IQYPVLSAZZRWHG-HYVNUMGLSA-N 0 3 299.418 2.487 20 30 CEEDHN Cc1ccc(C[C@@H](C)NC(=O)[C@@H](N)CCCC#N)s1 ZINC000424122898 330255004 /nfs/dbraw/zinc/25/50/04/330255004.db2.gz JYNHKUDWEQRSJS-MFKMUULPSA-N 0 3 279.409 2.125 20 30 CEEDHN Cc1c(CNC(=O)[C@H](N)CCCC#N)oc2ccccc12 ZINC000424126022 330258940 /nfs/dbraw/zinc/25/89/40/330258940.db2.gz OLAVCJWOFDFSHH-CYBMUJFWSA-N 0 3 285.347 2.379 20 30 CEEDHN Cc1cc(C)cc(C[C@@H](C)NC(=O)[C@H](N)CCCC#N)c1 ZINC000424131139 330261986 /nfs/dbraw/zinc/26/19/86/330261986.db2.gz VWOAKWSUNSGLGW-GDBMZVCRSA-N 0 3 287.407 2.372 20 30 CEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)[C@@H](C)c1ccccc1 ZINC000424134244 330266521 /nfs/dbraw/zinc/26/65/21/330266521.db2.gz YDWVCHGYEBAOAF-IPYPFGDCSA-N 0 3 273.380 2.316 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NC1(c2nccs2)CCCC1 ZINC000424145438 330290417 /nfs/dbraw/zinc/29/04/17/330290417.db2.gz NOORIRLJBULQSQ-NSHDSACASA-N 0 3 292.408 2.050 20 30 CEEDHN C=CCn1cc(CNCC(C(C)C)C(C)C)nn1 ZINC000424170190 330310822 /nfs/dbraw/zinc/31/08/22/330310822.db2.gz JNGNKEHEXHMTJA-UHFFFAOYSA-N 0 3 250.390 2.482 20 30 CEEDHN C[C@@]1(CNC(=O)[C@H](N)CCCC#N)CCCc2ccccc21 ZINC000424169586 330312057 /nfs/dbraw/zinc/31/20/57/330312057.db2.gz IMRXASFRJKESBP-AEFFLSMTSA-N 0 3 299.418 2.418 20 30 CEEDHN CC(C)CC[C@@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424179458 330318627 /nfs/dbraw/zinc/31/86/27/330318627.db2.gz YZLRVBDJYOXUHD-UONOGXRCSA-N 0 3 265.401 2.435 20 30 CEEDHN C[C@H](CCCO)NC(=O)C(C#N)CCc1ccccc1 ZINC000433386492 330350248 /nfs/dbraw/zinc/35/02/48/330350248.db2.gz OUYMJKBPOKNAOY-HIFRSBDPSA-N 0 3 274.364 2.036 20 30 CEEDHN N#C[C@H](c1ccccc1)N1CCN(CC[C@@H]2CCOC2)CC1 ZINC000437582439 330703763 /nfs/dbraw/zinc/70/37/63/330703763.db2.gz QQADVGGUQOYWAH-SJLPKXTDSA-N 0 3 299.418 2.295 20 30 CEEDHN CCN1CCC(NC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000441003516 330758507 /nfs/dbraw/zinc/75/85/07/330758507.db2.gz VIORXKRPOAUREF-UHFFFAOYSA-N 0 3 292.427 2.100 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCCNc2nccc(C(F)(F)F)n2)C1 ZINC000442775182 330782109 /nfs/dbraw/zinc/78/21/09/330782109.db2.gz FTPGROMPBTVBNO-VHSXEESVSA-N 0 3 299.300 2.189 20 30 CEEDHN N#CCOc1ccc(CNC[C@@H]2CCC=CO2)cc1 ZINC000194429458 330848874 /nfs/dbraw/zinc/84/88/74/330848874.db2.gz KKRNRFZRIPRGIO-HNNXBMFYSA-N 0 3 258.321 2.371 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)[C@H](C)NC1CC1 ZINC000449105295 330899346 /nfs/dbraw/zinc/89/93/46/330899346.db2.gz CVZADZHVPYBYSF-AWEZNQCLSA-N 0 3 272.392 2.384 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)cc1OC ZINC000449516652 330932836 /nfs/dbraw/zinc/93/28/36/330932836.db2.gz BNXBDGKOHAJCAX-KGLIPLIRSA-N 0 3 263.337 2.137 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cccc(CC)n2)CC1 ZINC000449846148 330952091 /nfs/dbraw/zinc/95/20/91/330952091.db2.gz VXQZWTYPLBWLTI-UHFFFAOYSA-N 0 3 287.407 2.414 20 30 CEEDHN C[C@H]1C[C@]1(C#N)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000450894114 331005483 /nfs/dbraw/zinc/00/54/83/331005483.db2.gz DYSAZEYTOUKUIP-YQYZPQCESA-N 0 3 297.402 2.173 20 30 CEEDHN C=CCOCCCN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451211960 331020750 /nfs/dbraw/zinc/02/07/50/331020750.db2.gz VUBNWGRPUFSTND-UHFFFAOYSA-N 0 3 288.391 2.343 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H]1CCC12CCCC2 ZINC000451468162 331030608 /nfs/dbraw/zinc/03/06/08/331030608.db2.gz KDEBTTAVEAEILF-HIFRSBDPSA-N 0 3 277.412 2.353 20 30 CEEDHN N#CCc1ccc(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000451882347 331046174 /nfs/dbraw/zinc/04/61/74/331046174.db2.gz CUGMHCDSAVTRQX-UONOGXRCSA-N 0 3 298.308 2.498 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)[C@]1(C#N)C[C@H]1C ZINC000451937274 331047716 /nfs/dbraw/zinc/04/77/16/331047716.db2.gz ZPRXJLKDSAIJDO-ZBFHGGJFSA-N 0 3 277.412 2.261 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](CC(C)(C)C)C1 ZINC000452081173 331053253 /nfs/dbraw/zinc/05/32/53/331053253.db2.gz PWOXVYHBPNWXRW-OLZOCXBDSA-N 0 3 295.427 2.145 20 30 CEEDHN C=CCCCC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452177223 331057125 /nfs/dbraw/zinc/05/71/25/331057125.db2.gz XBEUNMIPHZCXAJ-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN C[C@@H](CCCO)CNC(=O)C(C#N)CCc1ccccc1 ZINC000452860165 331079605 /nfs/dbraw/zinc/07/96/05/331079605.db2.gz LELWOOXLRHGAFX-GOEBONIOSA-N 0 3 288.391 2.284 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCC2(SC)CC2)CC1 ZINC000194955781 331082268 /nfs/dbraw/zinc/08/22/68/331082268.db2.gz ZATKBKMVSHASSQ-UHFFFAOYSA-N 0 3 297.468 2.222 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CC[C@@H](CO)C1 ZINC000452986465 331082906 /nfs/dbraw/zinc/08/29/06/331082906.db2.gz IOGNERNMVLKMIQ-OAGGEKHMSA-N 0 3 286.375 2.036 20 30 CEEDHN C[C@@H](CCCCO)NC(=O)C(C#N)CCc1ccccc1 ZINC000452986832 331082934 /nfs/dbraw/zinc/08/29/34/331082934.db2.gz MMYZYGUDTZCKCB-GOEBONIOSA-N 0 3 288.391 2.426 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cnc(C)nc1C ZINC000453371244 331124038 /nfs/dbraw/zinc/12/40/38/331124038.db2.gz VPGMKHAQGNSIGA-DFBGVHRSSA-N 0 3 261.369 2.478 20 30 CEEDHN C=CC(C)(C)CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000454670187 331150882 /nfs/dbraw/zinc/15/08/82/331150882.db2.gz SIWINCDTYKOYTM-VXGBXAGGSA-N 0 3 265.401 2.123 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)NCC#Cc2ccccc2)C1 ZINC000457590148 331228043 /nfs/dbraw/zinc/22/80/43/331228043.db2.gz KSRUSLKYGOYCHX-KRWDZBQOSA-N 0 3 299.418 2.162 20 30 CEEDHN CCO[C@H]1C[C@@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000457866320 331236664 /nfs/dbraw/zinc/23/66/64/331236664.db2.gz AKXQWWSJLOGTGM-HRCADAONSA-N 0 3 286.375 2.443 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000458992320 331264956 /nfs/dbraw/zinc/26/49/56/331264956.db2.gz VYKDOLNSNMBWPF-UHFFFAOYSA-N 0 3 279.428 2.468 20 30 CEEDHN C=C(CC)CNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000459078181 331269352 /nfs/dbraw/zinc/26/93/52/331269352.db2.gz NTTAXHYKASVNBY-UHFFFAOYSA-N 0 3 290.411 2.121 20 30 CEEDHN COC(=O)CC1(NCC#Cc2ccc(F)cc2)CCC1 ZINC000459394559 331279789 /nfs/dbraw/zinc/27/97/89/331279789.db2.gz XJWUZQAPZKTXOF-UHFFFAOYSA-N 0 3 275.323 2.253 20 30 CEEDHN C=CCOCCN1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459560247 331287733 /nfs/dbraw/zinc/28/77/33/331287733.db2.gz LMYNKGBOEJQRSO-OAHLLOKOSA-N 0 3 269.385 2.243 20 30 CEEDHN CC#CCCN1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459558721 331287853 /nfs/dbraw/zinc/28/78/53/331287853.db2.gz JGOQMXLVVHMXTA-OAHLLOKOSA-N 0 3 251.370 2.454 20 30 CEEDHN COc1cc(CNCC(C)(C)CC#N)cc2c1OCO2 ZINC000459686620 331294395 /nfs/dbraw/zinc/29/43/95/331294395.db2.gz GDFJATDALXPKDH-UHFFFAOYSA-N 0 3 276.336 2.453 20 30 CEEDHN C=CCN1CC[C@@H](N(C)[C@@H](C)Cc2cccc(F)c2)C1=O ZINC000459769740 331299868 /nfs/dbraw/zinc/29/98/68/331299868.db2.gz RWONBIFIHDRAMA-XJKSGUPXSA-N 0 3 290.382 2.475 20 30 CEEDHN C=CCn1cccc1C(=O)NCCN1CCCC[C@H]1C ZINC000488493980 332013599 /nfs/dbraw/zinc/01/35/99/332013599.db2.gz GWUWVEHWDSYGHF-CQSZACIVSA-N 0 3 275.396 2.278 20 30 CEEDHN CN1CCC(CC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000488583790 332018972 /nfs/dbraw/zinc/01/89/72/332018972.db2.gz ZZABZGXCLCGLJC-UHFFFAOYSA-N 0 3 277.412 2.164 20 30 CEEDHN C#CCNC(=O)CCN1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000491118251 332151304 /nfs/dbraw/zinc/15/13/04/332151304.db2.gz BOJHPCSOUSQCPY-OLZOCXBDSA-N 0 3 288.366 2.273 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000491277431 332179591 /nfs/dbraw/zinc/17/95/91/332179591.db2.gz OQIDNCXNXYZJMU-WBVHZDCISA-N 0 3 299.418 2.487 20 30 CEEDHN C#CCN(C)CCCNC(=O)CSc1ccc(C)cc1 ZINC000491396340 332204520 /nfs/dbraw/zinc/20/45/20/332204520.db2.gz XTFNUXDNTCZMNY-UHFFFAOYSA-N 0 3 290.432 2.158 20 30 CEEDHN C#C[C@H](NC1CC(CC(=O)OC)C1)c1ccc(F)cc1 ZINC000491570106 332240623 /nfs/dbraw/zinc/24/06/23/332240623.db2.gz ZHBWABWPXLIYNX-KWCHVYNWSA-N 0 3 275.323 2.431 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCCc1sccc1C ZINC000491652978 332265766 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C#CCN1CCC(C(=O)Nc2c(C)cccc2OC)CC1 ZINC000195031780 333243413 /nfs/dbraw/zinc/24/34/13/333243413.db2.gz DZPGSPAEULWTOL-UHFFFAOYSA-N 0 3 286.375 2.287 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000530335476 333543013 /nfs/dbraw/zinc/54/30/13/333543013.db2.gz VYVRZRVKLXVNLT-RDBSUJKOSA-N 0 3 275.396 2.059 20 30 CEEDHN C=C(C)COCCNCc1cc(OC)c(OC)cc1OC ZINC000125806674 333574200 /nfs/dbraw/zinc/57/42/00/333574200.db2.gz JVOIJRSLEZUKEM-UHFFFAOYSA-N 0 3 295.379 2.395 20 30 CEEDHN C=CCN(CC=C)[C@H](CNc1cccnn1)C(C)C ZINC000548744322 334168489 /nfs/dbraw/zinc/16/84/89/334168489.db2.gz SJZHJKQEASRHHS-CQSZACIVSA-N 0 3 260.385 2.009 20 30 CEEDHN C=CCSCCNC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000249833975 334341128 /nfs/dbraw/zinc/34/11/28/334341128.db2.gz QQHOGHXGLVBNPY-ZIAGYGMSSA-N 0 3 299.484 2.325 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000555332953 334474811 /nfs/dbraw/zinc/47/48/11/334474811.db2.gz SJEHNKKSGJLZDU-FMKPAKJESA-N 0 3 283.375 2.464 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@H](F)C2)CC1 ZINC000564652689 334515167 /nfs/dbraw/zinc/51/51/67/334515167.db2.gz HRRNIGNWAZEQLQ-JSGCOSHPSA-N 0 3 283.391 2.217 20 30 CEEDHN Cc1nccn1CCN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000271794608 334746679 /nfs/dbraw/zinc/74/66/79/334746679.db2.gz ITIXCSGEDYGSNZ-ZDUSSCGKSA-N 0 3 284.363 2.445 20 30 CEEDHN C=CC[C@@H](CO)NCc1nc(C(C)C)n2ccccc12 ZINC000576523950 335214886 /nfs/dbraw/zinc/21/48/86/335214886.db2.gz MJSRUPZELZYTRZ-ZDUSSCGKSA-N 0 3 273.380 2.484 20 30 CEEDHN C=CCN1CCC(N=c2[nH]c3cc(OC)ccc3o2)CC1 ZINC000576866537 335257457 /nfs/dbraw/zinc/25/74/57/335257457.db2.gz BVYALGWNVZRPDP-UHFFFAOYSA-N 0 3 287.363 2.321 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577625291 335381185 /nfs/dbraw/zinc/38/11/85/335381185.db2.gz DSDUOKLABBKZNT-GXFFZTMASA-N 0 3 262.309 2.109 20 30 CEEDHN N#C[C@@]1(C(=O)N2CC[C@@H](N3CCCC3)C2)CC12CCCC2 ZINC000577971841 335444399 /nfs/dbraw/zinc/44/43/99/335444399.db2.gz HTDGUZDVQCLEGV-RHSMWYFYSA-N 0 3 287.407 2.157 20 30 CEEDHN CC1CC(C#N)(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000581228893 336027837 /nfs/dbraw/zinc/02/78/37/336027837.db2.gz KYIQGWJAFPIBKP-CXOJTPOUSA-N 0 3 275.396 2.059 20 30 CEEDHN CCC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000581661561 336119691 /nfs/dbraw/zinc/11/96/91/336119691.db2.gz SFNGSLCYBUOCFM-HZSPNIEDSA-N 0 3 265.401 2.483 20 30 CEEDHN C=CCOCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000385427848 336146322 /nfs/dbraw/zinc/14/63/22/336146322.db2.gz KMYBOUNTWSKQCX-NSHDSACASA-N 0 3 250.298 2.448 20 30 CEEDHN C[C@@H](NCCOCCF)c1ccc(C#N)c(F)c1 ZINC000596095840 500887951 /nfs/dbraw/zinc/88/79/51/500887951.db2.gz RQZVUCKIGDXEEV-SNVBAGLBSA-N 0 3 254.280 2.334 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000347735289 534006239 /nfs/dbraw/zinc/00/62/39/534006239.db2.gz ODYHTGLNJQHISY-IUCAKERBSA-N 0 3 252.264 2.344 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000347753522 534283627 /nfs/dbraw/zinc/28/36/27/534283627.db2.gz LPOBYDGZYQSIJH-BDAKNGLRSA-N 0 3 288.282 2.213 20 30 CEEDHN COC(=O)c1csc([C@H](C)NCCCC#N)c1 ZINC000353668759 534338620 /nfs/dbraw/zinc/33/86/20/534338620.db2.gz AKMZVXZBSVGMNH-VIFPVBQESA-N 0 3 252.339 2.489 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc2cc(OC)ccc2o1 ZINC000184279151 519104918 /nfs/dbraw/zinc/10/49/18/519104918.db2.gz JAQAGIULXHGJDR-LBPRGKRZSA-N 0 3 261.321 2.468 20 30 CEEDHN CN(C)C[C@@H]1CCCN1c1nc2c(cc1C#N)CCCC2 ZINC000061645990 521844609 /nfs/dbraw/zinc/84/46/09/521844609.db2.gz RDYRYNTYTLADCR-HNNXBMFYSA-N 0 3 284.407 2.362 20 30 CEEDHN C=CCN1CCC(NC(=O)CO[C@H]2CCCC[C@H]2C)CC1 ZINC000353838587 526422339 /nfs/dbraw/zinc/42/23/39/526422339.db2.gz WJYWMJWQEBOQMY-ZBFHGGJFSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)CN(C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000334867591 526494214 /nfs/dbraw/zinc/49/42/14/526494214.db2.gz PHNUGYMQDUGCTC-UHFFFAOYSA-N 0 3 259.353 2.372 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@H](F)C2)CC1 ZINC000344784967 526593289 /nfs/dbraw/zinc/59/32/89/526593289.db2.gz BOUTWUCHNKRNEI-GXTWGEPZSA-N 0 3 283.391 2.217 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCC(C)(C2CC2)CC1 ZINC000352201720 526622254 /nfs/dbraw/zinc/62/22/54/526622254.db2.gz UUOSFYZLCYHUJC-GFCCVEGCSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCOCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000354689973 526714699 /nfs/dbraw/zinc/71/46/99/526714699.db2.gz CKDQAIJXXXCRJA-GDBMZVCRSA-N 0 3 288.391 2.141 20 30 CEEDHN CC(=O)N[C@@H](C)C1CCN(CCC(C)(C)C#N)CC1 ZINC000347176524 526827597 /nfs/dbraw/zinc/82/75/97/526827597.db2.gz WFLKHNFLFFRETF-LBPRGKRZSA-N 0 3 265.401 2.163 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)CN(CC)CC ZINC000111030578 526937402 /nfs/dbraw/zinc/93/74/02/526937402.db2.gz KTUFHSGVNIHMHE-UHFFFAOYSA-N 0 3 276.380 2.209 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NCC1(N(C)C)CCC1 ZINC000350392637 527042554 /nfs/dbraw/zinc/04/25/54/527042554.db2.gz OIYSNOXLCCHRPX-GFCCVEGCSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCCC1(C(=O)N2CCC(OCCN(C)C)CC2)CC1 ZINC000355988919 527082978 /nfs/dbraw/zinc/08/29/78/527082978.db2.gz NVTQYCTVKJWADF-UHFFFAOYSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCC[C@H](O)CN1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000351958794 527490160 /nfs/dbraw/zinc/49/01/60/527490160.db2.gz OITHGHJIGMAZQS-MELADBBJSA-N 0 3 253.386 2.203 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)C[C@H]1CCOC1)C(C)C ZINC000351980496 527648219 /nfs/dbraw/zinc/64/82/19/527648219.db2.gz CVOSNCRDEQWPDA-HZPDHXFCSA-N 0 3 294.439 2.228 20 30 CEEDHN CCN(CC(C)C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000343622041 527963063 /nfs/dbraw/zinc/96/30/63/527963063.db2.gz KSWLOAGCRHOIJC-HIFRSBDPSA-N 0 3 267.417 2.407 20 30 CEEDHN CCS[C@H]1CCCC[C@H]1NCC(=O)NC1(C#N)CCC1 ZINC000347207954 529228146 /nfs/dbraw/zinc/22/81/46/529228146.db2.gz SRGRSLLUQARZBX-OLZOCXBDSA-N 0 3 295.452 2.203 20 30 CEEDHN CC[C@H](C)[C@H]1CCCCN1CC(=O)NC1(C#N)CCC1 ZINC000347060583 529267606 /nfs/dbraw/zinc/26/76/06/529267606.db2.gz SQWLCJILSRYXGJ-UONOGXRCSA-N 0 3 277.412 2.449 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)N[C@]1(C)CCCOC1 ZINC000329137250 529271914 /nfs/dbraw/zinc/27/19/14/529271914.db2.gz HMNZNSWDTHFHCZ-GDBMZVCRSA-N 0 3 297.443 2.324 20 30 CEEDHN COC[C@@H]1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000739866966 574429505 /nfs/dbraw/zinc/42/95/05/574429505.db2.gz IPNNTXXAJHVRGF-OAHLLOKOSA-N 0 3 296.374 2.348 20 30 CEEDHN C#Cc1cccc(N(C)C(=S)NC2CCN(C)CC2)c1 ZINC000728447652 574466441 /nfs/dbraw/zinc/46/64/41/574466441.db2.gz LNUVCADDKYDBKM-UHFFFAOYSA-N 0 3 287.432 2.073 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)cn1 ZINC000728814275 574470875 /nfs/dbraw/zinc/47/08/75/574470875.db2.gz YTRMATBOYFNLQO-KBPBESRZSA-N 0 3 285.391 2.056 20 30 CEEDHN C#Cc1ccc(C(=O)NCC(C)(C)N2CCCCC2)nc1 ZINC000728959160 574474137 /nfs/dbraw/zinc/47/41/37/574474137.db2.gz ZYYOEAYEQOBGBE-UHFFFAOYSA-N 0 3 285.391 2.057 20 30 CEEDHN C#CCCN1CCC(NC(=O)CC2CCCC2)CC1 ZINC000740736383 574477823 /nfs/dbraw/zinc/47/78/23/574477823.db2.gz RONAPCODCANVTP-UHFFFAOYSA-N 0 3 262.397 2.171 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(CC)OCC)CC1 ZINC000875245704 649895784 /nfs/dbraw/zinc/89/57/84/649895784.db2.gz BFHWUGYXJYRMJO-UHFFFAOYSA-N 0 3 269.389 2.010 20 30 CEEDHN C=CCN1CCC(NC(=S)NCc2cccs2)CC1 ZINC000729942727 574496993 /nfs/dbraw/zinc/49/69/93/574496993.db2.gz LMAWCPWOACSSES-UHFFFAOYSA-N 0 3 295.477 2.363 20 30 CEEDHN C#CCNC(=S)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000758217192 574514688 /nfs/dbraw/zinc/51/46/88/574514688.db2.gz RNHIHQKYJQHPSP-UHFFFAOYSA-N 0 3 289.448 2.078 20 30 CEEDHN C#CCOCCN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000753761647 574515522 /nfs/dbraw/zinc/51/55/22/574515522.db2.gz OKZIVHGQSYBGOI-AWEZNQCLSA-N 0 3 286.375 2.114 20 30 CEEDHN C#Cc1cccc(NC(=S)NC[C@H]2CCCN(C)C2)c1 ZINC000730955280 574585100 /nfs/dbraw/zinc/58/51/00/574585100.db2.gz XFHGMHLLABHOKH-CQSZACIVSA-N 0 3 287.432 2.296 20 30 CEEDHN CN(C(=O)/C=C/c1ccccc1C#N)[C@@H]1CN2CCC1CC2 ZINC000732160394 574614315 /nfs/dbraw/zinc/61/43/15/574614315.db2.gz PGTFRJCGJKMVHL-DKRLNXSXSA-N 0 3 295.386 2.124 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)C1CCSCC1 ZINC000733052557 574640195 /nfs/dbraw/zinc/64/01/95/574640195.db2.gz BKYVJIUFXOXMOA-CYBMUJFWSA-N 0 3 288.372 2.477 20 30 CEEDHN C=CCC[N@H+](CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735413203 574755858 /nfs/dbraw/zinc/75/58/58/574755858.db2.gz PSCBEAMXVYODKB-UHFFFAOYSA-N 0 3 269.352 2.431 20 30 CEEDHN C=CCC[N@@H+](CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735413203 574755859 /nfs/dbraw/zinc/75/58/59/574755859.db2.gz PSCBEAMXVYODKB-UHFFFAOYSA-N 0 3 269.352 2.431 20 30 CEEDHN C=CCC[N@H+](CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735413203 574755861 /nfs/dbraw/zinc/75/58/61/574755861.db2.gz PSCBEAMXVYODKB-UHFFFAOYSA-N 0 3 269.352 2.431 20 30 CEEDHN C=CCC[N@@H+](CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735413203 574755863 /nfs/dbraw/zinc/75/58/63/574755863.db2.gz PSCBEAMXVYODKB-UHFFFAOYSA-N 0 3 269.352 2.431 20 30 CEEDHN CCCCCCN(C)CC(=O)N[C@@](C)(C#N)CC ZINC000735653475 574763822 /nfs/dbraw/zinc/76/38/22/574763822.db2.gz OXWIAZAZDVZPMV-CQSZACIVSA-N 0 3 253.390 2.307 20 30 CEEDHN CC(C#N)C(=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000735842422 574769726 /nfs/dbraw/zinc/76/97/26/574769726.db2.gz KTOLCJHGAQNUJX-IUODEOHRSA-N 0 3 272.348 2.118 20 30 CEEDHN CC(N=Nc1cccnn1)c1ccc(OCCN(C)C)cc1 ZINC000735973915 574772793 /nfs/dbraw/zinc/77/27/93/574772793.db2.gz WXJXBWXIYXSXKC-UHFFFAOYSA-N 0 3 299.378 2.253 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000736673429 574794489 /nfs/dbraw/zinc/79/44/89/574794489.db2.gz XIUOVLRJEHYGJN-NEPJUHHUSA-N 0 3 285.347 2.150 20 30 CEEDHN Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)NCCC#N)C1 ZINC000738312411 574857502 /nfs/dbraw/zinc/85/75/02/574857502.db2.gz MZDTZKQADUZWOK-HUUCEWRRSA-N 0 3 285.391 2.203 20 30 CEEDHN C[C@@H]1CC(=NNC(=S)Nc2ccccc2)CCN1C ZINC000741458202 574987317 /nfs/dbraw/zinc/98/73/17/574987317.db2.gz QPSLIDXCDJIEPI-LLVKDONJSA-N 0 3 276.409 2.443 20 30 CEEDHN CCN1CCC(=NNC(=S)Nc2cccnc2)[C@@H](C)C1 ZINC000741456177 574987573 /nfs/dbraw/zinc/98/75/73/574987573.db2.gz HFQNJTVXAVEUNS-NSHDSACASA-N 0 3 291.424 2.086 20 30 CEEDHN C[C@H]1C[C@@H](NC(=S)Nc2ccccc2C#N)CCN1C ZINC000741507503 574990310 /nfs/dbraw/zinc/99/03/10/574990310.db2.gz YPMCOJZSETTXFS-AAEUAGOBSA-N 0 3 288.420 2.327 20 30 CEEDHN COc1ccc(CN[C@@H](C)Cc2cnccn2)cc1C#N ZINC000742369213 575017597 /nfs/dbraw/zinc/01/75/97/575017597.db2.gz OKXCOXPKIOCBRD-LBPRGKRZSA-N 0 3 282.347 2.078 20 30 CEEDHN Cc1cccc(C2(O)CCN(C(=O)C(C)C#N)CC2)c1C ZINC000743699760 575109065 /nfs/dbraw/zinc/10/90/65/575109065.db2.gz MPYKAULBSAGMIW-ZDUSSCGKSA-N 0 3 286.375 2.273 20 30 CEEDHN S=C(NN=C1CCCC[C@@H]1N1CCCCC1)NC1CC1 ZINC000748782460 575195656 /nfs/dbraw/zinc/19/56/56/575195656.db2.gz SHDDONFTLJKWAD-AWEZNQCLSA-N 0 3 294.468 2.397 20 30 CEEDHN CN1CCN(N=C2CCCC[C@@H]2N2CCCCC2)CC1 ZINC000748778561 575195736 /nfs/dbraw/zinc/19/57/36/575195736.db2.gz NXRBHTHFYGYBNM-INIZCTEOSA-N 0 3 278.444 2.018 20 30 CEEDHN CCCCCCCN1CCN(CCCCO)CC1 ZINC000750053448 575244878 /nfs/dbraw/zinc/24/48/78/575244878.db2.gz NEDFLUBHKMJVTQ-UHFFFAOYSA-N 0 3 256.434 2.347 20 30 CEEDHN CCOCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000751827736 575298631 /nfs/dbraw/zinc/29/86/31/575298631.db2.gz XWOOIRXOKHFMDM-SNVBAGLBSA-N 0 3 294.738 2.414 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000981844095 613004014 /nfs/dbraw/zinc/00/40/14/613004014.db2.gz BKXBIZURWSWOLH-JKSUJKDBSA-N 0 3 276.424 2.370 20 30 CEEDHN C=C(C)C[N@@H+](CC)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819722301 606958959 /nfs/dbraw/zinc/95/89/59/606958959.db2.gz GHLXAYOIPQIDEH-UHFFFAOYSA-N 0 3 275.331 2.404 20 30 CEEDHN C=C(C)C[N@H+](CC)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819722301 606958960 /nfs/dbraw/zinc/95/89/60/606958960.db2.gz GHLXAYOIPQIDEH-UHFFFAOYSA-N 0 3 275.331 2.404 20 30 CEEDHN C=C(C)C[N@@H+](CC)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819722301 606958962 /nfs/dbraw/zinc/95/89/62/606958962.db2.gz GHLXAYOIPQIDEH-UHFFFAOYSA-N 0 3 275.331 2.404 20 30 CEEDHN C=C(C)C[N@H+](CC)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819722301 606958963 /nfs/dbraw/zinc/95/89/63/606958963.db2.gz GHLXAYOIPQIDEH-UHFFFAOYSA-N 0 3 275.331 2.404 20 30 CEEDHN C#CCCC[N@@H+](CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823841351 608355884 /nfs/dbraw/zinc/35/58/84/608355884.db2.gz LNBBTRKOPXOKAG-UHFFFAOYSA-N 0 3 281.363 2.268 20 30 CEEDHN C#CCCC[N@H+](CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823841351 608355886 /nfs/dbraw/zinc/35/58/86/608355886.db2.gz LNBBTRKOPXOKAG-UHFFFAOYSA-N 0 3 281.363 2.268 20 30 CEEDHN C#CCCC[N@@H+](CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823841351 608355887 /nfs/dbraw/zinc/35/58/87/608355887.db2.gz LNBBTRKOPXOKAG-UHFFFAOYSA-N 0 3 281.363 2.268 20 30 CEEDHN C#CCCC[N@H+](CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823841351 608355889 /nfs/dbraw/zinc/35/58/89/608355889.db2.gz LNBBTRKOPXOKAG-UHFFFAOYSA-N 0 3 281.363 2.268 20 30 CEEDHN C=C(CC)C[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823877737 608463201 /nfs/dbraw/zinc/46/32/01/608463201.db2.gz DTPSKJQCUIAGIT-LLVKDONJSA-N 0 3 257.341 2.484 20 30 CEEDHN C=C(CC)C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823877737 608463203 /nfs/dbraw/zinc/46/32/03/608463203.db2.gz DTPSKJQCUIAGIT-LLVKDONJSA-N 0 3 257.341 2.484 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@]2(C)CCc3ccccc3C2)C1 ZINC000970907857 612963087 /nfs/dbraw/zinc/96/30/87/612963087.db2.gz BHEIAMTUJOOOFU-MJGOQNOKSA-N 0 3 296.414 2.005 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000970556350 612965591 /nfs/dbraw/zinc/96/55/91/612965591.db2.gz QBTYBDHPTCLAKX-CYBMUJFWSA-N 0 3 296.292 2.143 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2coc3cc(F)ccc23)C1 ZINC000969154579 612967664 /nfs/dbraw/zinc/96/76/64/612967664.db2.gz SYUTXKIWHQIZGH-GFCCVEGCSA-N 0 3 286.306 2.009 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2sccc2CC)C1 ZINC000970922637 612996068 /nfs/dbraw/zinc/99/60/68/612996068.db2.gz ZVPKRZDTEHLCDB-GFCCVEGCSA-N 0 3 290.432 2.384 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cscc2Cl)C1 ZINC000969906436 612996145 /nfs/dbraw/zinc/99/61/45/612996145.db2.gz FCFCBUPWLJMEIN-SNVBAGLBSA-N 0 3 296.823 2.475 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2csc(Cl)c2)C1 ZINC000970526951 612996301 /nfs/dbraw/zinc/99/63/01/612996301.db2.gz TWUFYJYBVJXYBY-SNVBAGLBSA-N 0 3 296.823 2.475 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)C2CCC(F)(F)CC2)C1 ZINC000970487716 612996462 /nfs/dbraw/zinc/99/64/62/612996462.db2.gz DYJYOLDXUBSPQD-LBPRGKRZSA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000970768968 612996582 /nfs/dbraw/zinc/99/65/82/612996582.db2.gz LHCNWSJJSJZAFJ-KKUMJFAQSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC000969664160 612996623 /nfs/dbraw/zinc/99/66/23/612996623.db2.gz OIDGRYJHWNFZQC-LSDHHAIUSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC000981203743 613003971 /nfs/dbraw/zinc/00/39/71/613003971.db2.gz XQQMMCPCMMVNMO-IXDOHACOSA-N 0 3 286.419 2.146 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC000966942641 613013406 /nfs/dbraw/zinc/01/34/06/613013406.db2.gz IOJLFPAOKGJSSE-CTMQZQKCSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccoc2CC)C1 ZINC000965974226 613014132 /nfs/dbraw/zinc/01/41/32/613014132.db2.gz JOLKQUPSPCAXRN-HIFRSBDPSA-N 0 3 288.391 2.306 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)nc2C)C1 ZINC000968672309 613014369 /nfs/dbraw/zinc/01/43/69/613014369.db2.gz AUEWZTHXPRGKBO-DYVFJYSZSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC000968053374 613015886 /nfs/dbraw/zinc/01/58/86/613015886.db2.gz DBSPOBFDAYTHKG-CZUORRHYSA-N 0 3 299.418 2.356 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ncc(C)cc2C)C1 ZINC000967420483 613016175 /nfs/dbraw/zinc/01/61/75/613016175.db2.gz UYGUHUCBLHNDLQ-GDBMZVCRSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cncc(CC)c2)C1 ZINC000967381445 613016260 /nfs/dbraw/zinc/01/62/60/613016260.db2.gz PTCHPJDVMWJDMC-RHSMWYFYSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC000964938698 613024339 /nfs/dbraw/zinc/02/43/39/613024339.db2.gz UCQAUQRZRLNKSJ-BLLLJJGKSA-N 0 3 288.391 2.360 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc(C)cc(C)n2)CC1 ZINC000948566021 613179012 /nfs/dbraw/zinc/17/90/12/613179012.db2.gz JZLXDHNRTZHHKR-INIZCTEOSA-N 0 3 299.418 2.258 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)CC2CCCC2)[C@H](C)C1 ZINC000941767935 613224775 /nfs/dbraw/zinc/22/47/75/613224775.db2.gz KHWOGLGVXOSHQT-UKRRQHHQSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2c(C)cccc2C)[C@H](C)C1 ZINC000942895315 613230594 /nfs/dbraw/zinc/23/05/94/613230594.db2.gz PDOBNUGWKQKQOD-HZPDHXFCSA-N 0 3 284.403 2.377 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)sc2C)[C@@H](C)C1 ZINC000942341753 613232711 /nfs/dbraw/zinc/23/27/11/613232711.db2.gz BOZNMSYCTYEFHA-XHDPSFHLSA-N 0 3 290.432 2.438 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2C)[C@@H](C)C1 ZINC000941770028 613237629 /nfs/dbraw/zinc/23/76/29/613237629.db2.gz STANIFZJNFJJAD-GOEBONIOSA-N 0 3 270.376 2.068 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CCCN(C[C@@H](C)OC)CC1 ZINC000981740781 613240339 /nfs/dbraw/zinc/24/03/39/613240339.db2.gz CBCJMOQCAAZCSM-CQSZACIVSA-N 0 3 282.428 2.158 20 30 CEEDHN C=C(C)CCN1CCCN(C(=O)[C@H](F)CC)CC1 ZINC000981762405 613254507 /nfs/dbraw/zinc/25/45/07/613254507.db2.gz ZXAJGDANRBTANR-CYBMUJFWSA-N 0 3 256.365 2.235 20 30 CEEDHN C=C(C)CCN1CCCN(C(=O)c2ncccc2F)CC1 ZINC000982705925 613255732 /nfs/dbraw/zinc/25/57/32/613255732.db2.gz MRZPOEMVYCHLEB-UHFFFAOYSA-N 0 3 291.370 2.335 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2(C)CCCC2)C[C@H]1C ZINC000947588542 613256932 /nfs/dbraw/zinc/25/69/32/613256932.db2.gz DYLWTHULNCAJQI-KGLIPLIRSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC000942593907 613259294 /nfs/dbraw/zinc/25/92/94/613259294.db2.gz ACSYZBITZGKLEC-WMZOPIPTSA-N 0 3 298.430 2.306 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(C)s2)C[C@H]1C ZINC000948066242 613260230 /nfs/dbraw/zinc/26/02/30/613260230.db2.gz OGGVZUPCRIRMOA-OCCSQVGLSA-N 0 3 290.432 2.201 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2[nH]ccc2C2CC2)C[C@H]1C ZINC000947378243 613263380 /nfs/dbraw/zinc/26/33/80/613263380.db2.gz LRSDFCUOFXYVIJ-OCCSQVGLSA-N 0 3 285.391 2.108 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)ccc2C)[C@H](C)C1 ZINC000944316327 613265555 /nfs/dbraw/zinc/26/55/55/613265555.db2.gz FHJLZUJCBUWREZ-WBVHZDCISA-N 0 3 284.403 2.377 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)[C@@H](C)C1 ZINC000944809631 613267052 /nfs/dbraw/zinc/26/70/52/613267052.db2.gz FKISDZPMDGYYFV-ZFWWWQNUSA-N 0 3 295.386 2.241 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cccc3[nH]ccc32)C[C@@H]1C ZINC000947739820 613270822 /nfs/dbraw/zinc/27/08/22/613270822.db2.gz DJOJGCFXWIBBDX-KBPBESRZSA-N 0 3 295.386 2.384 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2sc(C)cc2C)[C@H](C)C1 ZINC000942091487 613278855 /nfs/dbraw/zinc/27/88/55/613278855.db2.gz MRBBBDBQATUKSV-OCCSQVGLSA-N 0 3 290.432 2.438 20 30 CEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CC=CCC2)C1 ZINC000969292268 613302079 /nfs/dbraw/zinc/30/20/79/613302079.db2.gz UVKUUPXVIJOPEX-KBPBESRZSA-N 0 3 262.397 2.355 20 30 CEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC000969810342 613302258 /nfs/dbraw/zinc/30/22/58/613302258.db2.gz VGINFKVZIQEOJE-RYUDHWBXSA-N 0 3 286.366 2.434 20 30 CEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3coc(C)n3)C2)C1 ZINC000981726480 613306429 /nfs/dbraw/zinc/30/64/29/613306429.db2.gz ODTPJMLTIRMRNP-UHFFFAOYSA-N 0 3 289.379 2.097 20 30 CEEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1ccon1 ZINC000968759276 613306620 /nfs/dbraw/zinc/30/66/20/613306620.db2.gz YSLVYPQCFUPXFS-CYBMUJFWSA-N 0 3 277.368 2.225 20 30 CEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)Cc2cncs2)C1 ZINC000966880151 613323685 /nfs/dbraw/zinc/32/36/85/613323685.db2.gz TYBYETZIADEETL-OCCSQVGLSA-N 0 3 293.436 2.088 20 30 CEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2ccco2)C1 ZINC000968453796 613325271 /nfs/dbraw/zinc/32/52/71/613325271.db2.gz GORPYZAZFFHGMO-UKRRQHHQSA-N 0 3 276.380 2.225 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(CC#CC)[C@H](C)C2)C1 ZINC000947703402 613396631 /nfs/dbraw/zinc/39/66/31/613396631.db2.gz YICJMFDKCBZEEX-HUUCEWRRSA-N 0 3 274.408 2.335 20 30 CEEDHN C=CCn1cccc1C(=O)N1CCCN(CCC)CC1 ZINC000981337159 613436534 /nfs/dbraw/zinc/43/65/34/613436534.db2.gz JDUBBVDXFMOIKZ-UHFFFAOYSA-N 0 3 275.396 2.232 20 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ZINC000971079496 613620411 /nfs/dbraw/zinc/62/04/11/613620411.db2.gz GOPQKIFVLVZUAP-SNVBAGLBSA-N 0 3 268.744 2.265 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccccc2C)C1 ZINC000970998496 613622444 /nfs/dbraw/zinc/62/24/44/613622444.db2.gz CODDIHBANFSASH-CQSZACIVSA-N 0 3 258.365 2.327 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccnn2[C@@H](C)CC)C1 ZINC000971626035 613622788 /nfs/dbraw/zinc/62/27/88/613622788.db2.gz SLSVRPOTFPPLIV-UONOGXRCSA-N 0 3 290.411 2.186 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)C2CCC=CCC2)C1 ZINC000980421728 613627269 /nfs/dbraw/zinc/62/72/69/613627269.db2.gz IPXKPCYBFYFYDG-HNNXBMFYSA-N 0 3 262.397 2.452 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H]2CCC(C)(C)CO2)C1 ZINC000971966770 613628103 /nfs/dbraw/zinc/62/81/03/613628103.db2.gz QPXHLIUEJCSLRS-GJZGRUSLSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@H](C)c2ccco2)C1 ZINC000972744896 613628721 /nfs/dbraw/zinc/62/87/21/613628721.db2.gz GPTBIJHESMEFSH-KBPBESRZSA-N 0 3 276.380 2.492 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC000972671143 613631385 /nfs/dbraw/zinc/63/13/85/613631385.db2.gz OHNNESOHOOGJSZ-KBPBESRZSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@H](C)c2ccco2)C1 ZINC000972318395 613633251 /nfs/dbraw/zinc/63/32/51/613633251.db2.gz VCLKALBAFAYESV-OLZOCXBDSA-N 0 3 262.353 2.102 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(N(C)C)cc2)C1 ZINC000980263389 613636768 /nfs/dbraw/zinc/63/67/68/613636768.db2.gz AMASUEBFCMWTJW-INIZCTEOSA-N 0 3 287.407 2.085 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2sccc2COC)C1 ZINC000972725269 613641383 /nfs/dbraw/zinc/64/13/83/613641383.db2.gz VHQBEBYSCXKDPV-ZDUSSCGKSA-N 0 3 294.420 2.227 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)C3(CC)CC3)C2)C1 ZINC000981991468 613677610 /nfs/dbraw/zinc/67/76/10/613677610.db2.gz IZLKXMHFEPBEGF-UHFFFAOYSA-N 0 3 262.397 2.287 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)Cc3cncc(C)c3)C2)C1 ZINC000981917637 613678268 /nfs/dbraw/zinc/67/82/68/613678268.db2.gz HVJYTWRQKQJZJW-UHFFFAOYSA-N 0 3 299.418 2.043 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H](C)C(C)(F)F)C2)C1 ZINC000982019103 613679458 /nfs/dbraw/zinc/67/94/58/613679458.db2.gz PZTDBUAPRKKGMR-GFCCVEGCSA-N 0 3 286.366 2.388 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)[C@H]3C[C@@H]3C(C)C)C2)C1 ZINC000982099307 613680535 /nfs/dbraw/zinc/68/05/35/613680535.db2.gz XYYWNKSVYSOMLW-CABCVRRESA-N 0 3 276.424 2.389 20 30 CEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1c(C)n[nH]c1C ZINC000969076239 613684052 /nfs/dbraw/zinc/68/40/52/613684052.db2.gz SKWRFHVYRCIFFX-CQSZACIVSA-N 0 3 290.411 2.187 20 30 CEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1cccnc1 ZINC000968722331 613686768 /nfs/dbraw/zinc/68/67/68/613686768.db2.gz NKGGGMOWRFPHJM-HNNXBMFYSA-N 0 3 273.380 2.242 20 30 CEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccn(C)c1 ZINC000968809336 613686959 /nfs/dbraw/zinc/68/69/59/613686959.db2.gz HXMPYTDACGOHEZ-HNNXBMFYSA-N 0 3 275.396 2.186 20 30 CEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1coc(CC)n1 ZINC000968819211 613687520 /nfs/dbraw/zinc/68/75/20/613687520.db2.gz GZXJWEVONOWNSX-ZDUSSCGKSA-N 0 3 291.395 2.397 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(CC)n2)C[C@H]1C ZINC000947398833 613754440 /nfs/dbraw/zinc/75/44/40/613754440.db2.gz AOPBKJOSQLIMLA-UKRRQHHQSA-N 0 3 287.407 2.413 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2ccccc2F)[C@@H](C)C1 ZINC000941737756 613755189 /nfs/dbraw/zinc/75/51/89/613755189.db2.gz JELLQRLTKQIQJN-SWLSCSKDSA-N 0 3 276.355 2.452 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc(C)s2)C[C@H]1C ZINC000947123245 613757302 /nfs/dbraw/zinc/75/73/02/613757302.db2.gz UVUFJLUOBIMHMG-ZYHUDNBSSA-N 0 3 279.409 2.220 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cncc(C)c2)C[C@H]1C ZINC000947161043 613758311 /nfs/dbraw/zinc/75/83/11/613758311.db2.gz CECCWGJNHDBIQD-UKRRQHHQSA-N 0 3 273.380 2.159 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2coc(CC)n2)C(C)(C)C1 ZINC000940690074 613759545 /nfs/dbraw/zinc/75/95/45/613759545.db2.gz VVOQRKTWTHZBIF-CYBMUJFWSA-N 0 3 291.395 2.253 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2ncccc2CC)C[C@@H]1C ZINC000947472156 613761171 /nfs/dbraw/zinc/76/11/71/613761171.db2.gz GBVWCJLGVCOJEC-DZGCQCFKSA-N 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/nfs/dbraw/zinc/79/18/94/613791894.db2.gz INPNILWYHSNUKR-JSGCOSHPSA-N 0 3 274.364 2.018 20 30 CEEDHN C=CC[N@H+]1CC[C@H](NC(=O)c2ccccc2[O-])C[C@@H]1C ZINC000947044946 613792122 /nfs/dbraw/zinc/79/21/22/613792122.db2.gz CVRLPWPSFCCUPZ-STQMWFEESA-N 0 3 274.364 2.161 20 30 CEEDHN C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2[O-])C[C@@H]1C ZINC000947044946 613792124 /nfs/dbraw/zinc/79/21/24/613792124.db2.gz CVRLPWPSFCCUPZ-STQMWFEESA-N 0 3 274.364 2.161 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccns2)C(C)(C)C1 ZINC000940785286 613794309 /nfs/dbraw/zinc/79/43/09/613794309.db2.gz JNYJCKOQFXDBAS-LBPRGKRZSA-N 0 3 279.409 2.159 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2scnc2CC)C[C@@H]1C ZINC000947373416 613801699 /nfs/dbraw/zinc/80/16/99/613801699.db2.gz AHRSXEIVUKCAOF-RYUDHWBXSA-N 0 3 293.436 2.474 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)c1ccsc1 ZINC000961739800 613838780 /nfs/dbraw/zinc/83/87/80/613838780.db2.gz BZLAENNJAQHLGC-SCUASFONSA-N 0 3 276.405 2.084 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(CC)cc1 ZINC000962451129 613841682 /nfs/dbraw/zinc/84/16/82/613841682.db2.gz YOJROLHGXHQLGS-ZSHCYNCHSA-N 0 3 270.376 2.095 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2ccncc2c1 ZINC000962215105 613842367 /nfs/dbraw/zinc/84/23/67/613842367.db2.gz BVNZUMQAWXCDMR-FVQHAEBGSA-N 0 3 293.370 2.081 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CCC ZINC000960962737 613842898 /nfs/dbraw/zinc/84/28/98/613842898.db2.gz BBKCHOHHYUWRNG-FVQHAEBGSA-N 0 3 284.403 2.485 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2ncccc21 ZINC000961417342 613843069 /nfs/dbraw/zinc/84/30/69/613843069.db2.gz DMUXHQCAJRQLLA-QLPKVWCKSA-N 0 3 293.370 2.081 20 30 CEEDHN CC(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000946932930 614012558 /nfs/dbraw/zinc/01/25/58/614012558.db2.gz PGSACGLDFRAOLN-MLGOLLRUSA-N 0 3 271.364 2.047 20 30 CEEDHN CC(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3C#N)C[C@H]2C1 ZINC000979487045 614023579 /nfs/dbraw/zinc/02/35/79/614023579.db2.gz 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/nfs/dbraw/zinc/05/83/23/623058323.db2.gz NFGXOVTYSOIHQE-GIRNFWINSA-N 0 3 294.826 2.268 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccoc2)C1 ZINC001021520015 623247113 /nfs/dbraw/zinc/24/71/13/623247113.db2.gz TWLNDWVPTFSYAV-GOEBONIOSA-N 0 3 286.375 2.229 20 30 CEEDHN CNC(=O)C(C#N)C(=O)CC[C@@H](C)c1ccccc1 ZINC000160412735 623283740 /nfs/dbraw/zinc/28/37/40/623283740.db2.gz GAQVSDIRKPZNRY-DGCLKSJQSA-N 0 3 258.321 2.025 20 30 CEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)CC2CC2)C1 ZINC000970937736 623331978 /nfs/dbraw/zinc/33/19/78/623331978.db2.gz HUILGTZTVIZVBB-QGZVFWFLSA-N 0 3 297.402 2.391 20 30 CEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C2C=CC=CC=C2)C1 ZINC001021603741 623336389 /nfs/dbraw/zinc/33/63/89/623336389.db2.gz RLTBFFCSKPBHNO-ZWKOTPCHSA-N 0 3 296.414 2.231 20 30 CEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C)[nH]c2C)C1 ZINC001021678947 623391149 /nfs/dbraw/zinc/39/11/49/623391149.db2.gz KBRDRBYKVJFQOG-WBVHZDCISA-N 0 3 299.418 2.191 20 30 CEEDHN CCN(CCCC1(C#N)CCOCC1)C(C)(C)C(=O)OC ZINC000933189937 623533203 /nfs/dbraw/zinc/53/32/03/623533203.db2.gz HLUCKHFBLQYVGY-UHFFFAOYSA-N 0 3 296.411 2.360 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001021934384 623586879 /nfs/dbraw/zinc/58/68/79/623586879.db2.gz MONGXMLVCDMWRG-KCLGILNXSA-N 0 3 282.815 2.412 20 30 CEEDHN C=C(Br)CN[C@H]1C[C@@H](NC(=O)C2=CCCC2)C1 ZINC001021959831 623596987 /nfs/dbraw/zinc/59/69/87/623596987.db2.gz QIAQPHVUOPUUID-TXEJJXNPSA-N 0 3 299.212 2.242 20 30 CEEDHN C=CCN1CC[C@H](N[C@H](C)c2ccc3c(c2)CCO3)C1=O ZINC000933489473 623774687 /nfs/dbraw/zinc/77/46/87/623774687.db2.gz UKCJJOJLXCHGEL-DOMZBBRYSA-N 0 3 286.375 2.059 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001022182574 623825470 /nfs/dbraw/zinc/82/54/70/623825470.db2.gz DJLYCCWCZYQMCL-TXEJJXNPSA-N 0 3 293.798 2.495 20 30 CEEDHN C=C(Br)CN[C@H](CC(=O)OC)C(C)(C)C ZINC000934029758 624175302 /nfs/dbraw/zinc/17/53/02/624175302.db2.gz NCCHSAAQWLCOPQ-SECBINFHSA-N 0 3 278.190 2.462 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001024600264 625703244 /nfs/dbraw/zinc/70/32/44/625703244.db2.gz YUXLIWNMAVKKOT-MGPQQGTHSA-N 0 3 250.386 2.189 20 30 CEEDHN C#C[C@H]1CCCCN1C[C@H]1CC2(CO1)CCOCC2 ZINC000934518966 624556383 /nfs/dbraw/zinc/55/63/83/624556383.db2.gz OBFNZGWOYZYYBD-LSDHHAIUSA-N 0 3 263.381 2.060 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001023295975 624983369 /nfs/dbraw/zinc/98/33/69/624983369.db2.gz MCYLUZQVNRNZEV-CYBMUJFWSA-N 0 3 276.424 2.130 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001023504743 625028054 /nfs/dbraw/zinc/02/80/54/625028054.db2.gz CLKOLKGIHJIOMO-LTIDMASMSA-N 0 3 288.435 2.274 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ncc(C)cc2C)C1 ZINC001023504072 625028161 /nfs/dbraw/zinc/02/81/61/625028161.db2.gz ZHMLUMNAMWTTPI-INIZCTEOSA-N 0 3 299.418 2.164 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001023507551 625028172 /nfs/dbraw/zinc/02/81/72/625028172.db2.gz UVBQJQNHTWEHBJ-NXOAAHMSSA-N 0 3 288.435 2.274 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccsc2Cl)C1 ZINC001023630897 625084099 /nfs/dbraw/zinc/08/40/99/625084099.db2.gz PXRXBUSSCZLGQV-NSHDSACASA-N 0 3 296.823 2.477 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccoc2CCC)C1 ZINC001023701038 625125636 /nfs/dbraw/zinc/12/56/36/625125636.db2.gz JNFVZJYXAAJJSO-AWEZNQCLSA-N 0 3 288.391 2.307 20 30 CEEDHN N#CCC[C@H](NC1CCS(=O)(=O)CC1)c1ccccc1 ZINC000291212963 625277202 /nfs/dbraw/zinc/27/72/02/625277202.db2.gz RILGTTOALDHLHH-HNNXBMFYSA-N 0 3 292.404 2.198 20 30 CEEDHN C#C[C@H](CCC)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000820647641 634488177 /nfs/dbraw/zinc/48/81/77/634488177.db2.gz UQYZLWTYWNRWTL-OAHLLOKOSA-N 0 3 291.439 2.448 20 30 CEEDHN C=CCCNC(=O)N(CCc1ccccc1)CCN(C)C ZINC000820771079 634525102 /nfs/dbraw/zinc/52/51/02/634525102.db2.gz FTRYLRVGYVAISG-UHFFFAOYSA-N 0 3 289.423 2.378 20 30 CEEDHN C#CCCN1CCN(CCCc2ccsc2)CC1 ZINC000782960692 627331995 /nfs/dbraw/zinc/33/19/95/627331995.db2.gz XCKYRZOPNKDZLV-UHFFFAOYSA-N 0 3 262.422 2.322 20 30 CEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc[nH]1 ZINC001025200228 627377904 /nfs/dbraw/zinc/37/79/04/627377904.db2.gz CPOZULGGNIVUSR-CVEARBPZSA-N 0 3 285.391 2.107 20 30 CEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccon1 ZINC001025207109 627382279 /nfs/dbraw/zinc/38/22/79/627382279.db2.gz DFVDJHJFRZCLMA-CABCVRRESA-N 0 3 289.379 2.320 20 30 CEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1[nH]ccc1C ZINC001025227626 627386839 /nfs/dbraw/zinc/38/68/39/627386839.db2.gz AEHNOINLEMVUSA-CVEARBPZSA-N 0 3 299.418 2.415 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(Cl)o2)C1 ZINC001025344840 627647821 /nfs/dbraw/zinc/64/78/21/627647821.db2.gz SGYIIAYQLXLWCH-NEPJUHHUSA-N 0 3 294.782 2.397 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892775902 627764241 /nfs/dbraw/zinc/76/42/41/627764241.db2.gz JMAKGKGGKIKJHL-KRWDZBQOSA-N 0 3 283.375 2.081 20 30 CEEDHN C=CCN(C(=O)NC[C@H]1Cc2ccccc2CN1)C1CC1 ZINC000892802041 627784463 /nfs/dbraw/zinc/78/44/63/627784463.db2.gz LMGQOQZUTADOIY-OAHLLOKOSA-N 0 3 285.391 2.061 20 30 CEEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000852098135 627822076 /nfs/dbraw/zinc/82/20/76/627822076.db2.gz GAAKUJNAOGYYAH-ZFWWWQNUSA-N 0 3 250.386 2.025 20 30 CEEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)COC(C)=O)c1 ZINC000892973688 627909954 /nfs/dbraw/zinc/90/99/54/627909954.db2.gz VLALWMSFRREJHR-DOMZBBRYSA-N 0 3 290.363 2.409 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2oc3ccccc3c2CC)C1 ZINC001019850762 627918703 /nfs/dbraw/zinc/91/87/03/627918703.db2.gz RQCPXPYOKONQTF-ZDUSSCGKSA-N 0 3 296.370 2.433 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccsc2)C1 ZINC001019973912 627931169 /nfs/dbraw/zinc/93/11/69/627931169.db2.gz LORGKENCRVPCRJ-XYPYZODXSA-N 0 3 270.785 2.351 20 30 CEEDHN CC(C)C(=O)N[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001019994409 627935060 /nfs/dbraw/zinc/93/50/60/627935060.db2.gz RQQKXQWAAKUNIW-HDJSIYSDSA-N 0 3 289.354 2.090 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@]1(CC)C(C)C ZINC001026130998 628045279 /nfs/dbraw/zinc/04/52/79/628045279.db2.gz QLHSRQTWRVNPBK-LVNYTYFRSA-N 0 3 276.424 2.291 20 30 CEEDHN C=CC(C)(C)CC(=O)OC[C@]1(C)C[C@@H](OC)CN1C ZINC000893261677 628201637 /nfs/dbraw/zinc/20/16/37/628201637.db2.gz DBLWZHHGKDGOTB-DOMZBBRYSA-N 0 3 269.385 2.241 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001006641189 628268440 /nfs/dbraw/zinc/26/84/40/628268440.db2.gz UWJKHEIJFZBHHZ-OAHLLOKOSA-N 0 3 274.339 2.043 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1csc(C#N)c1 ZINC000893553953 628736770 /nfs/dbraw/zinc/73/67/70/628736770.db2.gz RAMDNUPYECGSNL-UWVGGRQHSA-N 0 3 266.366 2.297 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2c(C)cc(C#N)cc2C)[C@H]1OC ZINC000893594303 628768834 /nfs/dbraw/zinc/76/88/34/628768834.db2.gz QYJUJXQBYTWDEK-BRWVUGGUSA-N 0 3 288.391 2.457 20 30 CEEDHN N#CCCc1ccc(N[C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000925824600 628894161 /nfs/dbraw/zinc/89/41/61/628894161.db2.gz ZHZBGIOLPVEEIT-DLBZAZTESA-N 0 3 285.391 2.322 20 30 CEEDHN C=C(C)CNC(=S)NC[C@@H](Cc1ccccc1)N(C)C ZINC000048036090 629288705 /nfs/dbraw/zinc/28/87/05/629288705.db2.gz JCWNWVKMNYLPIJ-OAHLLOKOSA-N 0 3 291.464 2.200 20 30 CEEDHN C=CC[C@H](NC[C@@H]1[C@H](C(=O)OC)C1(F)F)c1ccncc1 ZINC000894273900 629293656 /nfs/dbraw/zinc/29/36/56/629293656.db2.gz RXTNDCZXSZXEOV-FRRDWIJNSA-N 0 3 296.317 2.343 20 30 CEEDHN CCCCNN=Cc1c(C)nn(-c2ccccc2)c1N ZINC000794895531 629349727 /nfs/dbraw/zinc/34/97/27/629349727.db2.gz QRBWPZYBIQCCPZ-UHFFFAOYSA-N 0 3 271.368 2.487 20 30 CEEDHN CCC[C@H](NCC(=O)NCCC#N)c1ccccc1 ZINC000795073052 629427869 /nfs/dbraw/zinc/42/78/69/629427869.db2.gz NMGIPCAVYMVWFW-AWEZNQCLSA-N 0 3 259.353 2.147 20 30 CEEDHN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4csc(C#N)c4)[C@H]1[C@H]3C2 ZINC000894407804 629439688 /nfs/dbraw/zinc/43/96/88/629439688.db2.gz WGWLDVRQYIUWCW-IXDBCEGASA-N 0 3 274.389 2.475 20 30 CEEDHN COc1ccc([C@H](NCC(=O)NCCC#N)C(C)C)cc1 ZINC000795143279 629456922 /nfs/dbraw/zinc/45/69/22/629456922.db2.gz YGZWZSOULOAURQ-MRXNPFEDSA-N 0 3 289.379 2.012 20 30 CEEDHN C#C[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000894457172 629470072 /nfs/dbraw/zinc/47/00/72/629470072.db2.gz UIISEIMQOMHRQM-ZBFHGGJFSA-N 0 3 289.423 2.201 20 30 CEEDHN C=CCc1cc(OCC)cc(CN2CC[C@H]2CO)c1O ZINC000902633334 634754273 /nfs/dbraw/zinc/75/42/73/634754273.db2.gz UCJYOIZBVRKMEP-AWEZNQCLSA-N 0 3 277.364 2.086 20 30 CEEDHN CN(C)CC#CCNc1nc(C(F)(F)F)cs1 ZINC000894875517 629709982 /nfs/dbraw/zinc/70/99/82/629709982.db2.gz FFXALSJSXXULSR-UHFFFAOYSA-N 0 3 263.288 2.139 20 30 CEEDHN C=CCCCN(CC)CN1C[C@H]2CCC[C@H]2C1=O ZINC000902668746 634775971 /nfs/dbraw/zinc/77/59/71/634775971.db2.gz FYOAAUREARJTJW-ZIAGYGMSSA-N 0 3 250.386 2.491 20 30 CEEDHN C=CCCCN(CC)CN1C[C@@H](C(F)F)CC1=O ZINC000902669030 634776059 /nfs/dbraw/zinc/77/60/59/634776059.db2.gz HTTZYRLFWWACAQ-NSHDSACASA-N 0 3 260.328 2.346 20 30 CEEDHN CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCCN([O-])C2=O)C12CCC2 ZINC000895157642 629973024 /nfs/dbraw/zinc/97/30/24/629973024.db2.gz DJQIKIOJARHHPP-RWMBFGLXSA-N 0 3 296.411 2.083 20 30 CEEDHN C[C@H](C[NH2+][C@H]1CCCN([O-])C1=O)C1CCCCC1 ZINC000895159092 629976094 /nfs/dbraw/zinc/97/60/94/629976094.db2.gz SGSFMZRSUWXEID-YPMHNXCESA-N 0 3 254.374 2.173 20 30 CEEDHN C[C@H]([NH2+][C@H]1CCCN([O-])C1=O)[C@H]1CCCC[C@H]1C ZINC000895160040 629977367 /nfs/dbraw/zinc/97/73/67/629977367.db2.gz ZOPXIIWMHHSBGT-VOAKCMCISA-N 0 3 254.374 2.171 20 30 CEEDHN CC[C@@H](Cc1cccs1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895160642 629977905 /nfs/dbraw/zinc/97/79/05/629977905.db2.gz NJVVFRWWZZOBEA-CMPLNLGQSA-N 0 3 268.382 2.039 20 30 CEEDHN O=C1[C@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CCCN1[O-] ZINC000895161458 629979355 /nfs/dbraw/zinc/97/93/55/629979355.db2.gz RNYYXBZTAHSIGJ-HRCADAONSA-N 0 3 288.391 2.368 20 30 CEEDHN CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895161905 629980317 /nfs/dbraw/zinc/98/03/17/629980317.db2.gz VNKPBWJQHGWCRT-GJZGRUSLSA-N 0 3 276.380 2.286 20 30 CEEDHN CC(C)c1ccc(CC[NH2+][C@H]2CCCN([O-])C2=O)cc1 ZINC000895161959 629980322 /nfs/dbraw/zinc/98/03/22/629980322.db2.gz VVPDJTKHXVMAOF-HNNXBMFYSA-N 0 3 276.380 2.322 20 30 CEEDHN CC1(C)CC(=O)NCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000895400257 630169121 /nfs/dbraw/zinc/16/91/21/630169121.db2.gz NKECLOVYGLTMOW-UHFFFAOYSA-N 0 3 297.402 2.342 20 30 CEEDHN C#C[C@H](NCc1cnn(C2CCC2)c1)C1CCOCC1 ZINC000895436187 630188238 /nfs/dbraw/zinc/18/82/38/630188238.db2.gz PVJFFSVMTSKRPM-INIZCTEOSA-N 0 3 273.380 2.126 20 30 CEEDHN COc1ccc([C@H](O)CN[C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902736778 634802557 /nfs/dbraw/zinc/80/25/57/634802557.db2.gz XFBZONNMYZYBRU-YVEFUNNKSA-N 0 3 297.358 2.346 20 30 CEEDHN C#C[C@H]1CCCCN1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000896010610 630436517 /nfs/dbraw/zinc/43/65/17/630436517.db2.gz GMLPORRNGCDBQN-HOCLYGCPSA-N 0 3 289.423 2.201 20 30 CEEDHN C#CCOc1ccc(CN2CC[C@@H](c3noc(C)n3)C2)cc1 ZINC000896241407 630509645 /nfs/dbraw/zinc/50/96/45/630509645.db2.gz XYRCMEBVCNSFQZ-OAHLLOKOSA-N 0 3 297.358 2.380 20 30 CEEDHN C#CCCCNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000896700613 630637111 /nfs/dbraw/zinc/63/71/11/630637111.db2.gz BWNVILMYIBPJLM-INIZCTEOSA-N 0 3 288.391 2.264 20 30 CEEDHN C#CCN(CC)C(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000896845126 630687565 /nfs/dbraw/zinc/68/75/65/630687565.db2.gz URPDWXLOILFKIY-INIZCTEOSA-N 0 3 288.391 2.216 20 30 CEEDHN Cc1ncc2c(n1)CCC[C@@H]2N[C@H]1CC[C@H](C#N)C1 ZINC000799718564 631068595 /nfs/dbraw/zinc/06/85/95/631068595.db2.gz FRWWAQLGBBKIBO-HUBLWGQQSA-N 0 3 256.353 2.444 20 30 CEEDHN C[C@H](C#N)OCCOC(=O)C(C)(C)N(C)C1CCCC1 ZINC000801853650 631337430 /nfs/dbraw/zinc/33/74/30/631337430.db2.gz RLFPZRCPDGFTPJ-GFCCVEGCSA-N 0 3 282.384 2.111 20 30 CEEDHN Cc1ccccc1OCCN(C)CCO[C@@H](C)C#N ZINC000801909446 631348958 /nfs/dbraw/zinc/34/89/58/631348958.db2.gz BYOIXKSXYSUUJG-AWEZNQCLSA-N 0 3 262.353 2.234 20 30 CEEDHN CCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC000987651201 631438607 /nfs/dbraw/zinc/43/86/07/631438607.db2.gz DPTYBKHZNMRXAH-QWRGUYRKSA-N 0 3 277.393 2.109 20 30 CEEDHN C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC000988102671 631482478 /nfs/dbraw/zinc/48/24/78/631482478.db2.gz LKQZYVSOIBKGHB-QWHCGFSZSA-N 0 3 274.364 2.161 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)C2=CCCCCC2)C1 ZINC000988701189 631661782 /nfs/dbraw/zinc/66/17/82/631661782.db2.gz SOSIFPXOVVYGER-HIFRSBDPSA-N 0 3 260.381 2.089 20 30 CEEDHN C=CCN1CCN(CN2CC[C@@]3(CC[C@H](C)C3)C2)C1=O ZINC000840041698 631671969 /nfs/dbraw/zinc/67/19/69/631671969.db2.gz DNNXTHLHZISGKW-GOEBONIOSA-N 0 3 277.412 2.380 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2sc(C)cc2C)C1 ZINC000988899056 631707350 /nfs/dbraw/zinc/70/73/50/631707350.db2.gz NNZUNFHQKBAZKM-WCQYABFASA-N 0 3 276.405 2.191 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2coc(C(F)F)c2)C1 ZINC000989364824 631793473 /nfs/dbraw/zinc/79/34/73/631793473.db2.gz HMSPNXWLCTXHJI-GXSJLCMTSA-N 0 3 282.290 2.043 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3ncccc3c2)C1 ZINC000989378767 631801964 /nfs/dbraw/zinc/80/19/64/631801964.db2.gz CMTKQKFUZZRJHL-CJNGLKHVSA-N 0 3 293.370 2.061 20 30 CEEDHN CN(Cc1cc(C#N)cs1)CC(C)(C)N1CCOCC1 ZINC000897624523 631830691 /nfs/dbraw/zinc/83/06/91/631830691.db2.gz NGOGAJBJDRCKDO-UHFFFAOYSA-N 0 3 293.436 2.162 20 30 CEEDHN C=CCN1CCN(CN2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)C1=O ZINC000840114070 631866555 /nfs/dbraw/zinc/86/65/55/631866555.db2.gz DQNSHDSPODSEFA-DLTWYDFYSA-N 0 3 287.407 2.012 20 30 CEEDHN C#C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C(C)(C)C ZINC000807882476 631881777 /nfs/dbraw/zinc/88/17/77/631881777.db2.gz QHFPPKIAWCQTNT-KBPBESRZSA-N 0 3 264.413 2.415 20 30 CEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cnn(CCF)c1 ZINC000897731680 631906474 /nfs/dbraw/zinc/90/64/74/631906474.db2.gz DPWOFLVWVBTULK-CYBMUJFWSA-N 0 3 294.374 2.041 20 30 CEEDHN C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC000898150870 632071379 /nfs/dbraw/zinc/07/13/79/632071379.db2.gz FJXWHAJIDALCID-MGPQQGTHSA-N 0 3 288.395 2.095 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C3CC3)nc2C)C1 ZINC000989465724 632177589 /nfs/dbraw/zinc/17/75/89/632177589.db2.gz MYYVAXFTKRTLIU-WFASDCNBSA-N 0 3 297.402 2.093 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccsc2Cl)C1 ZINC000989524100 632197604 /nfs/dbraw/zinc/19/76/04/632197604.db2.gz VCSBIKOREASQGM-NXEZZACHSA-N 0 3 282.796 2.227 20 30 CEEDHN C#CCCN1CCCN(C(=O)c2cc(C)cc(C)c2)CC1 ZINC000989554300 632203624 /nfs/dbraw/zinc/20/36/24/632203624.db2.gz XSIAEZGJUMERLW-UHFFFAOYSA-N 0 3 284.403 2.475 20 30 CEEDHN C=C(C)CN1CCCN(C(=O)Cc2ccc(C)nc2)CC1 ZINC000989670761 632221070 /nfs/dbraw/zinc/22/10/70/632221070.db2.gz JDLNUBAUCGDSII-UHFFFAOYSA-N 0 3 287.407 2.043 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(CC)cc2)C1 ZINC000989742468 632235836 /nfs/dbraw/zinc/23/58/36/632235836.db2.gz UIVWICCDIFSCCQ-CJNGLKHVSA-N 0 3 270.376 2.075 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc3c2CCC3)C1 ZINC000989847388 632253334 /nfs/dbraw/zinc/25/33/34/632253334.db2.gz LCTKOTCMHLELKC-UKRRQHHQSA-N 0 3 282.387 2.001 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2coc3ccccc23)C1 ZINC000989857810 632257060 /nfs/dbraw/zinc/25/70/60/632257060.db2.gz RZVLFXVTYBSZDR-CHWSQXEVSA-N 0 3 282.343 2.259 20 30 CEEDHN CC(=O)N[C@]12CCC[C@@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC000989869438 632259217 /nfs/dbraw/zinc/25/92/17/632259217.db2.gz AZXCYWUSUWOBLG-IRXDYDNUSA-N 0 3 283.375 2.191 20 30 CEEDHN C[C@@H]1C[C@@H]1C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000989891735 632270399 /nfs/dbraw/zinc/27/03/99/632270399.db2.gz ALJUCZJSVLUKEE-DYVFJYSZSA-N 0 3 297.402 2.295 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccccc3)CCC[C@H]12 ZINC000989915066 632279226 /nfs/dbraw/zinc/27/92/26/632279226.db2.gz COPRZBVYYMOGOZ-FUHWJXTLSA-N 0 3 282.387 2.437 20 30 CEEDHN C=C(C)C[NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000989972746 632295782 /nfs/dbraw/zinc/29/57/82/632295782.db2.gz MPWJBLURNWBPQE-UHFFFAOYSA-N 0 3 274.364 2.163 20 30 CEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3ocnc3C)CCC[C@H]12 ZINC000990134401 632318802 /nfs/dbraw/zinc/31/88/02/632318802.db2.gz KOMCGCIJFPUJCV-XJKSGUPXSA-N 0 3 289.379 2.286 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)C3CC(C)C3)CCC[C@H]12 ZINC000990176023 632324071 /nfs/dbraw/zinc/32/40/71/632324071.db2.gz MCRVMFASFYDHGG-VKJZCYHPSA-N 0 3 262.397 2.332 20 30 CEEDHN C[C@H](NCCO[C@H]1CCOC1)c1ccc(C#N)c(F)c1 ZINC000927081220 632448695 /nfs/dbraw/zinc/44/86/95/632448695.db2.gz QHSNFZBJSSBQMZ-FZMZJTMJSA-N 0 3 278.327 2.153 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000898440872 632500148 /nfs/dbraw/zinc/50/01/48/632500148.db2.gz YXWLMHQWVPKEHW-DLBZAZTESA-N 0 3 282.387 2.415 20 30 CEEDHN CN(C)CCN(CCc1ccccc1)C(=O)CCCC#N ZINC000812914159 632602898 /nfs/dbraw/zinc/60/28/98/632602898.db2.gz GVXFRNXZSRULLN-UHFFFAOYSA-N 0 3 287.407 2.313 20 30 CEEDHN CC(COC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[N+](=O)[O-] ZINC000813107565 632624999 /nfs/dbraw/zinc/62/49/99/632624999.db2.gz TWHJOYWMYMFTEL-VIFPVBQESA-N 0 3 294.282 2.183 20 30 CEEDHN CN(CCc1cccc(C#N)c1)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000899173064 632728099 /nfs/dbraw/zinc/72/80/99/632728099.db2.gz JKIYDTUGFKXNFU-INIZCTEOSA-N 0 3 299.418 2.432 20 30 CEEDHN CCC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccc(N)c1 ZINC000814885536 632914132 /nfs/dbraw/zinc/91/41/32/632914132.db2.gz COZZOZDNRQYHQL-HUUCEWRRSA-N 0 3 285.395 2.243 20 30 CEEDHN CC(C)Oc1cccc(CNC(=O)[C@@H](N)CCCC#N)c1 ZINC000818056367 633849985 /nfs/dbraw/zinc/84/99/85/633849985.db2.gz DOTJQJHIYLMXPT-HNNXBMFYSA-N 0 3 289.379 2.111 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1c(C)cc(C)cc1C ZINC000818592887 633953802 /nfs/dbraw/zinc/95/38/02/633953802.db2.gz DFQJIRLTRAWDLW-UHFFFAOYSA-N 0 3 286.419 2.226 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ncoc1-c1ccccc1 ZINC000818602805 633956509 /nfs/dbraw/zinc/95/65/09/633956509.db2.gz GMGUKWRIOQUKEL-UHFFFAOYSA-N 0 3 297.358 2.027 20 30 CEEDHN Cc1cc(NN=Cc2cnn(C3CCC3)c2)ccn1 ZINC000901268009 634028210 /nfs/dbraw/zinc/02/82/10/634028210.db2.gz QPTLAKJWAUFSOM-UHFFFAOYSA-N 0 3 255.325 2.179 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000819198401 634101950 /nfs/dbraw/zinc/10/19/50/634101950.db2.gz RKZOCOMILXLAAL-FDYHWXHSSA-N 0 3 281.450 2.399 20 30 CEEDHN COc1cccc([C@H](O)CN[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902799161 634839299 /nfs/dbraw/zinc/83/92/99/634839299.db2.gz AIHCEANAEMPVAQ-SJKOYZFVSA-N 0 3 297.358 2.346 20 30 CEEDHN CC1CCN(CCNC(=O)c2cc(C#N)ccc2F)CC1 ZINC000822059112 634843545 /nfs/dbraw/zinc/84/35/45/634843545.db2.gz PEXBIBKYTVJJLT-UHFFFAOYSA-N 0 3 289.354 2.159 20 30 CEEDHN C[C@H](N[C@@H]1CCCc2cn[nH]c21)c1cc(C#N)ccn1 ZINC000902882083 634876875 /nfs/dbraw/zinc/87/68/75/634876875.db2.gz UCEUCADLARUZMO-GXFFZTMASA-N 0 3 267.336 2.405 20 30 CEEDHN COCC[C@@H]1CCC[C@H]1NCc1nc(C#N)cs1 ZINC000903262906 635034637 /nfs/dbraw/zinc/03/46/37/635034637.db2.gz JCKUYHLIWRFTIA-CMPLNLGQSA-N 0 3 265.382 2.310 20 30 CEEDHN CC[C@H](N[C@@H]1COCC[C@H]1OC)c1ccc(C#N)cc1 ZINC000903297830 635045627 /nfs/dbraw/zinc/04/56/27/635045627.db2.gz YMCSWNZJNHENRH-ARFHVFGLSA-N 0 3 274.364 2.403 20 30 CEEDHN C#CCOc1ccc([C@H](C)N[C@@H]2COCC[C@H]2OC)cc1 ZINC000903299207 635046020 /nfs/dbraw/zinc/04/60/20/635046020.db2.gz HSSVUDJAJBIFCS-IAOVAPTHSA-N 0 3 289.375 2.153 20 30 CEEDHN CO[C@@H]1CCOC[C@H]1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000903300016 635047111 /nfs/dbraw/zinc/04/71/11/635047111.db2.gz VFXNKLWRCINDCS-VCTAVGKDSA-N 0 3 278.327 2.152 20 30 CEEDHN C=CCCOCC[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823899414 635303803 /nfs/dbraw/zinc/30/38/03/635303803.db2.gz VRQDXZUVLNZPJW-GFCCVEGCSA-N 0 3 287.367 2.110 20 30 CEEDHN C=CCCOCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823899414 635303806 /nfs/dbraw/zinc/30/38/06/635303806.db2.gz VRQDXZUVLNZPJW-GFCCVEGCSA-N 0 3 287.367 2.110 20 30 CEEDHN C=CCCCN(CC)Cc1nc(C(C)(C)N)no1 ZINC000903850917 635304210 /nfs/dbraw/zinc/30/42/10/635304210.db2.gz ZVNYWPILUHYBMN-UHFFFAOYSA-N 0 3 252.362 2.052 20 30 CEEDHN C=CC(C)(C)NC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000904525282 635657325 /nfs/dbraw/zinc/65/73/25/635657325.db2.gz VLZUKQBEWZIGQY-CQSZACIVSA-N 0 3 289.379 2.434 20 30 CEEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCN2C)c([O-])c1 ZINC000905003906 635774505 /nfs/dbraw/zinc/77/45/05/635774505.db2.gz XYFGHVPUJNLWOU-VUVCFOEZSA-N 0 3 275.396 2.361 20 30 CEEDHN COc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1OC ZINC000905079307 635796520 /nfs/dbraw/zinc/79/65/20/635796520.db2.gz ANVHHTXFTOIUKK-CAXXOGMASA-N 0 3 285.303 2.136 20 30 CEEDHN COCCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905079271 635796762 /nfs/dbraw/zinc/79/67/62/635796762.db2.gz AEHDXMWHNYQXBG-LUHPIMIVSA-N 0 3 299.330 2.144 20 30 CEEDHN COCCOc1cccc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905080946 635797746 /nfs/dbraw/zinc/79/77/46/635797746.db2.gz OQLOGZOOZZAIHV-LUHPIMIVSA-N 0 3 299.330 2.144 20 30 CEEDHN C[C@@H]1CNC(NN=C2CC(c3ccc(F)cc3F)C2)=N1 ZINC000905460704 636291355 /nfs/dbraw/zinc/29/13/55/636291355.db2.gz OFFOJIJHGNCZTR-VEDVMXKPSA-N 0 3 278.306 2.136 20 30 CEEDHN COc1c(Cl)cccc1CNC[C@H](O)CC1(C#N)CC1 ZINC000905645411 636380577 /nfs/dbraw/zinc/38/05/77/636380577.db2.gz YHZJPNIJKGNULP-GFCCVEGCSA-N 0 3 294.782 2.493 20 30 CEEDHN CC(C)(NCc1ccncc1C#N)C1CCOCC1 ZINC000828441146 636597950 /nfs/dbraw/zinc/59/79/50/636597950.db2.gz YUYDDPMTDQRXPQ-UHFFFAOYSA-N 0 3 259.353 2.248 20 30 CEEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)NC(C)(C)CC)C1 ZINC000829774263 636926664 /nfs/dbraw/zinc/92/66/64/636926664.db2.gz OGIPRTJUGKGDMM-KBPBESRZSA-N 0 3 264.413 2.415 20 30 CEEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)N[C@@H](C)CC)C1 ZINC000829774870 636927960 /nfs/dbraw/zinc/92/79/60/636927960.db2.gz VQPQJGDLYIUJBB-BFHYXJOUSA-N 0 3 250.386 2.025 20 30 CEEDHN C#CC[C@@H]1CCCN(CCCCCS(=O)(=O)CC)C1 ZINC000829811145 636936105 /nfs/dbraw/zinc/93/61/05/636936105.db2.gz YNFSWXDXJCTYFD-OAHLLOKOSA-N 0 3 285.453 2.327 20 30 CEEDHN CC(C)N1CCC[C@@H](NC(=O)c2ccsc2C#N)C1 ZINC000907433999 637023092 /nfs/dbraw/zinc/02/30/92/637023092.db2.gz XBDSFXLZDDRIJF-LLVKDONJSA-N 0 3 277.393 2.222 20 30 CEEDHN C#CC1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000830305172 637031430 /nfs/dbraw/zinc/03/14/30/637031430.db2.gz IKZAKLUXYIDBAQ-QLFBSQMISA-N 0 3 276.424 2.225 20 30 CEEDHN C#CC1CCN([C@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000830311613 637032362 /nfs/dbraw/zinc/03/23/62/637032362.db2.gz RGFIKOKFGZTBDX-CYBMUJFWSA-N 0 3 288.366 2.176 20 30 CEEDHN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1CC(=O)NCCC#N ZINC000830440916 637071877 /nfs/dbraw/zinc/07/18/77/637071877.db2.gz YSOXZLFNNAEYKM-FMKPAKJESA-N 0 3 285.391 2.283 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000876545656 650316486 /nfs/dbraw/zinc/31/64/86/650316486.db2.gz RSXLTJCBODBEKR-SNVBAGLBSA-N 0 3 283.715 2.312 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000876547276 650317976 /nfs/dbraw/zinc/31/79/76/650317976.db2.gz NKDGYEFEVPPSMZ-GFCCVEGCSA-N 0 3 284.743 2.112 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000876552696 650322365 /nfs/dbraw/zinc/32/23/65/650322365.db2.gz ARKWGPNCCVPKHH-SNVBAGLBSA-N 0 3 298.770 2.421 20 30 CEEDHN C=C(CC[NH+](C)C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000908208464 637264605 /nfs/dbraw/zinc/26/46/05/637264605.db2.gz RFABIWIBAACTMJ-UHFFFAOYSA-N 0 3 276.336 2.041 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCc1ccccc1 ZINC000876549731 650320305 /nfs/dbraw/zinc/32/03/05/650320305.db2.gz ULWKHOLXAVVNOZ-ZDUSSCGKSA-N 0 3 266.772 2.205 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCOc1cccc(C)c1 ZINC000876568499 650334484 /nfs/dbraw/zinc/33/44/84/650334484.db2.gz INRGQOQMDFAWMJ-AWEZNQCLSA-N 0 3 296.798 2.302 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN2CCSC[C@H]2C2CC2)cc1 ZINC000831773067 637429072 /nfs/dbraw/zinc/42/90/72/637429072.db2.gz HPCZECATGVLLNJ-HOTGVXAUSA-N 0 3 288.416 2.419 20 30 CEEDHN CC(C)C#CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000832238742 637525138 /nfs/dbraw/zinc/52/51/38/637525138.db2.gz ZBCLMMMJCYPCOP-NVXWUHKLSA-N 0 3 284.403 2.283 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000876588749 650347616 /nfs/dbraw/zinc/34/76/16/650347616.db2.gz PATBLJKQNQHGMJ-BXKDBHETSA-N 0 3 297.742 2.242 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)Oc1ccc(C)cc1 ZINC000876591971 650349173 /nfs/dbraw/zinc/34/91/73/650349173.db2.gz DKEAPLICEAPKGH-GXTWGEPZSA-N 0 3 296.798 2.348 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)Cc1ccccc1F ZINC000876592873 650349819 /nfs/dbraw/zinc/34/98/19/650349819.db2.gz IQCCKIUJORUTTK-MFKMUULPSA-N 0 3 284.762 2.343 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1c(F)cccc1F ZINC000876595043 650351728 /nfs/dbraw/zinc/35/17/28/650351728.db2.gz YYCVLRCKZYPPHA-GFCCVEGCSA-N 0 3 288.725 2.093 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(C)cc1C ZINC000876608262 650357229 /nfs/dbraw/zinc/35/72/29/650357229.db2.gz DIFLRGGUZCDDSH-CQSZACIVSA-N 0 3 280.799 2.432 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(OCC(C)C)CC1 ZINC000876611418 650358712 /nfs/dbraw/zinc/35/87/12/650358712.db2.gz DYZFDTHMPYVIET-CYBMUJFWSA-N 0 3 288.819 2.120 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000876621339 650363876 /nfs/dbraw/zinc/36/38/76/650363876.db2.gz ZAJMVYLPTFIDRR-SDDRHHMPSA-N 0 3 256.777 2.247 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(CC)cc1 ZINC000876632834 650368246 /nfs/dbraw/zinc/36/82/46/650368246.db2.gz YBWWTNXIWNIQQB-CQSZACIVSA-N 0 3 280.799 2.378 20 30 CEEDHN C#Cc1cccc(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000834903824 637982538 /nfs/dbraw/zinc/98/25/38/637982538.db2.gz SZWPVXZNXSJLAY-JKSUJKDBSA-N 0 3 291.416 2.113 20 30 CEEDHN CC[C@H](CC(F)(F)F)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000835058824 638043064 /nfs/dbraw/zinc/04/30/64/638043064.db2.gz UODUMPOFKJUYQW-NXEZZACHSA-N 0 3 290.285 2.296 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(C)c(OC)c1 ZINC000876664983 650386961 /nfs/dbraw/zinc/38/69/61/650386961.db2.gz KQYJNSBAQGJNFB-CYBMUJFWSA-N 0 3 296.798 2.132 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cnc(Cl)c(C)c1 ZINC000876664860 650386967 /nfs/dbraw/zinc/38/69/67/650386967.db2.gz HLHJLZIOMSRZJP-VIFPVBQESA-N 0 3 274.151 2.452 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)CCSC ZINC000876673676 650393506 /nfs/dbraw/zinc/39/35/06/650393506.db2.gz POUIGDSPHXFVEE-UWVGGRQHSA-N 0 3 264.822 2.056 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000911943797 638479687 /nfs/dbraw/zinc/47/96/87/638479687.db2.gz PWNJYPNMSQLKGT-CYBMUJFWSA-N 0 3 292.379 2.004 20 30 CEEDHN N#Cc1sccc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000912065982 638530499 /nfs/dbraw/zinc/53/04/99/638530499.db2.gz PNQPGYWSSFRYNK-CHWSQXEVSA-N 0 3 289.404 2.366 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCc1ccccc1F ZINC000912067092 638530534 /nfs/dbraw/zinc/53/05/34/638530534.db2.gz ANNCCFGOKUZIAP-AWEZNQCLSA-N 0 3 264.344 2.168 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(C(=O)NCC)c1 ZINC000912054062 638538014 /nfs/dbraw/zinc/53/80/14/638538014.db2.gz LQWNMOHUWBRUSY-CQSZACIVSA-N 0 3 289.379 2.058 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000912068193 638547202 /nfs/dbraw/zinc/54/72/02/638547202.db2.gz LQLJMJPBZKJKEZ-CVEARBPZSA-N 0 3 272.392 2.344 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NC[C@H]1COc2ccccc2C1 ZINC000912116519 638558836 /nfs/dbraw/zinc/55/88/36/638558836.db2.gz MBWHVEUDNRUUGE-DZGCQCFKSA-N 0 3 288.391 2.038 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCCCOc1ccccc1F ZINC000912149408 638588292 /nfs/dbraw/zinc/58/82/92/638588292.db2.gz CWFMESDFKRQWQL-CQSZACIVSA-N 0 3 294.370 2.394 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCCCC(C)(C)C ZINC000836319927 638599374 /nfs/dbraw/zinc/59/93/74/638599374.db2.gz VTHBAIZDFZRNLR-UHFFFAOYSA-N 0 3 267.417 2.067 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000836490280 638649422 /nfs/dbraw/zinc/64/94/22/638649422.db2.gz ROQAQJODSRDQRW-QLFBSQMISA-N 0 3 279.428 2.065 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)[C@H](N)CCSC ZINC000912489473 638700277 /nfs/dbraw/zinc/70/02/77/638700277.db2.gz LDJBAOSRXUIIHM-CQSZACIVSA-N 0 3 278.421 2.282 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2cccc(F)c2C1 ZINC000876882280 650471595 /nfs/dbraw/zinc/47/15/95/650471595.db2.gz FAQWAYDYJXPZHK-CYBMUJFWSA-N 0 3 282.746 2.180 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)Cc3ccccc3)CCC[C@H]12 ZINC000991420061 639152833 /nfs/dbraw/zinc/15/28/33/639152833.db2.gz ZMHCSTUQYITVTO-PKOBYXMFSA-N 0 3 296.414 2.366 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)c1nc(C)cs1 ZINC000876754828 639367236 /nfs/dbraw/zinc/36/72/36/639367236.db2.gz FUVYBVOKFJGVMW-ZJUUUORDSA-N 0 3 287.816 2.489 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000876953258 650503526 /nfs/dbraw/zinc/50/35/26/650503526.db2.gz LHDAMSCHDMWBHK-CHWSQXEVSA-N 0 3 286.803 2.016 20 30 CEEDHN C=CCCC1(CNC(=O)c2c(CN)cnn2C)CCCC1 ZINC000876959228 650506320 /nfs/dbraw/zinc/50/63/20/650506320.db2.gz QJQLOXKKEAMRBA-UHFFFAOYSA-N 0 3 290.411 2.135 20 30 CEEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)NC(C)C)cc1 ZINC000840890447 639575729 /nfs/dbraw/zinc/57/57/29/639575729.db2.gz MOJNHHSLZHWTFQ-KGLIPLIRSA-N 0 3 288.391 2.262 20 30 CEEDHN CC(C)(C)C#CC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000876969578 650512011 /nfs/dbraw/zinc/51/20/11/650512011.db2.gz UEEBXTISSIIYBU-HNNXBMFYSA-N 0 3 286.375 2.336 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCc2ccc(OC)cc21 ZINC000876973342 650513965 /nfs/dbraw/zinc/51/39/65/650513965.db2.gz DZENXSMVHTVLEL-CYBMUJFWSA-N 0 3 294.782 2.444 20 30 CEEDHN C[C@H](CO)NN=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000841629690 639801972 /nfs/dbraw/zinc/80/19/72/639801972.db2.gz SGFNGCIGUMZXJY-CXAGYDPISA-N 0 3 287.407 2.312 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H]3C[C@H]3C3CC3)CCC[C@H]12 ZINC000991935399 639877924 /nfs/dbraw/zinc/87/79/24/639877924.db2.gz RBPXGTRBMIOEIB-NBOOPKSLSA-N 0 3 286.419 2.169 20 30 CEEDHN CC[C@@H](CON=Cc1ccc(N2CCOCC2)cc1)OC ZINC000842017073 639919979 /nfs/dbraw/zinc/91/99/79/639919979.db2.gz HRGNOPRQEZBMQX-INIZCTEOSA-N 0 3 292.379 2.299 20 30 CEEDHN CC[C@H](Sc1ccccc1)C(=O)C(C#N)C(=O)NC ZINC000842292731 640000497 /nfs/dbraw/zinc/00/04/97/640000497.db2.gz WREBFQZZWNGXFW-RYUDHWBXSA-N 0 3 276.361 2.012 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CC(C)C)CCC[C@H]12 ZINC000992242701 640001999 /nfs/dbraw/zinc/00/19/99/640001999.db2.gz SEPIRPKFVBZXQB-XLMAVXFVSA-N 0 3 288.435 2.415 20 30 CEEDHN C[C@@H](O)CC(C)(C)CNCc1cc(C#N)cnc1Cl ZINC000877054852 650550886 /nfs/dbraw/zinc/55/08/86/650550886.db2.gz MAOIREQWUQIUHG-SNVBAGLBSA-N 0 3 281.787 2.493 20 30 CEEDHN C#CCSCCNCc1nc2ccccc2nc1C ZINC000877047978 650547054 /nfs/dbraw/zinc/54/70/54/650547054.db2.gz GNECKWHDTHJONS-UHFFFAOYSA-N 0 3 271.389 2.394 20 30 CEEDHN N#Cc1ccc(CN[C@H]2COC[C@@H]2C2CC2)c(F)c1 ZINC000914436557 640407931 /nfs/dbraw/zinc/40/79/31/640407931.db2.gz XXPBBYPSNDVFQC-HIFRSBDPSA-N 0 3 260.312 2.212 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cncs2)[C@H]1C ZINC000993120737 640461001 /nfs/dbraw/zinc/46/10/01/640461001.db2.gz XEZVHRWNRDPFQZ-VXGBXAGGSA-N 0 3 279.409 2.302 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(F)nc2)[C@H]1C ZINC000993145226 640481370 /nfs/dbraw/zinc/48/13/70/640481370.db2.gz UTHNDUJAHIKMAP-OCCSQVGLSA-N 0 3 291.370 2.380 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC000993200468 640546584 /nfs/dbraw/zinc/54/65/84/640546584.db2.gz NKIDTKIFEQEGAD-WFASDCNBSA-N 0 3 286.379 2.045 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C2C=CC=CC=C2)[C@@H]1C ZINC000993406362 640637073 /nfs/dbraw/zinc/63/70/73/640637073.db2.gz DWALTLSSXQVHEI-RDJZCZTQSA-N 0 3 284.403 2.277 20 30 CEEDHN C#Cc1cncc(C(=O)N[C@H]2CCCN(CC(=C)C)[C@H]2C)c1 ZINC000993772952 640677152 /nfs/dbraw/zinc/67/71/52/640677152.db2.gz PITAIWZNJJINBC-YOEHRIQHSA-N 0 3 297.402 2.222 20 30 CEEDHN C=CCN1CCC[C@H](NC(=O)Cc2occc2C)[C@H]1C ZINC000993788091 640678943 /nfs/dbraw/zinc/67/89/43/640678943.db2.gz JJMPBNSKTRZISE-KGLIPLIRSA-N 0 3 276.380 2.286 20 30 CEEDHN CN(CCO)c1ccc(C=NNCc2ccccc2)cc1 ZINC000916343769 640757635 /nfs/dbraw/zinc/75/76/35/640757635.db2.gz GIKFYQMRBKZXSS-UHFFFAOYSA-N 0 3 283.375 2.239 20 30 CEEDHN CN(C)Cc1ccnc(NCc2cccc(C#N)n2)c1 ZINC000877172179 650609501 /nfs/dbraw/zinc/60/95/01/650609501.db2.gz MCCBMVGFFSPXIP-UHFFFAOYSA-N 0 3 267.336 2.022 20 30 CEEDHN CCOCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916907216 640830435 /nfs/dbraw/zinc/83/04/35/640830435.db2.gz VSYDLMRLHNEAAO-SECBINFHSA-N 0 3 280.711 2.024 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC000844783343 640837116 /nfs/dbraw/zinc/83/71/16/640837116.db2.gz BRBJIAADRHCNAL-LSDHHAIUSA-N 0 3 276.424 2.273 20 30 CEEDHN C=CCN(C(=O)N[C@H]1CCCN(CC)C1)C(C)C ZINC000919657692 641063424 /nfs/dbraw/zinc/06/34/24/641063424.db2.gz XUWNCOJLYYTSDI-ZDUSSCGKSA-N 0 3 253.390 2.077 20 30 CEEDHN Cc1cc(C#N)cc(C)c1CN1CC[C@@H](N2CCCC2=O)C1 ZINC000930127757 641145316 /nfs/dbraw/zinc/14/53/16/641145316.db2.gz SVIJJLYGNWEIBL-MRXNPFEDSA-N 0 3 297.402 2.372 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)OCC(C)C ZINC000920790204 641201006 /nfs/dbraw/zinc/20/10/06/641201006.db2.gz RREZTNIXDHPKTA-OLZOCXBDSA-N 0 3 282.384 2.063 20 30 CEEDHN C=C[C@H](C)O[N-]C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000846546115 641336267 /nfs/dbraw/zinc/33/62/67/641336267.db2.gz LLVQMKBDZSOJLI-STQMWFEESA-N 0 3 266.385 2.263 20 30 CEEDHN C=C[C@H](C)O[N-]C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000846546115 641336275 /nfs/dbraw/zinc/33/62/75/641336275.db2.gz LLVQMKBDZSOJLI-STQMWFEESA-N 0 3 266.385 2.263 20 30 CEEDHN C#C[C@@H]1CCCN(Cc2cccc(C(=O)OC)c2)C1 ZINC000847017264 641523164 /nfs/dbraw/zinc/52/31/64/641523164.db2.gz ARDJVSVGOVRFCW-CYBMUJFWSA-N 0 3 257.333 2.318 20 30 CEEDHN CC(=O)N1C[C@@H](NCc2ccc(F)c(C#N)c2)C(C)(C)C1 ZINC000995281602 641867071 /nfs/dbraw/zinc/86/70/71/641867071.db2.gz SETNMXWMUMNJBW-OAHLLOKOSA-N 0 3 289.354 2.044 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2coc(C)c2)CC1 ZINC000997034038 642174758 /nfs/dbraw/zinc/17/47/58/642174758.db2.gz JIVYQQNHELJONA-CYBMUJFWSA-N 0 3 274.364 2.052 20 30 CEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccncc2C)CC1 ZINC000997077052 642182100 /nfs/dbraw/zinc/18/21/00/642182100.db2.gz UHPGPMGYOCXTHC-OAHLLOKOSA-N 0 3 299.418 2.244 20 30 CEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cccc(C)n2)CC1 ZINC000997921730 642342435 /nfs/dbraw/zinc/34/24/35/642342435.db2.gz PSXZRAGTKXPWMH-MRXNPFEDSA-N 0 3 299.418 2.340 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN1CC([C@H]2CCOC2)C1 ZINC000877489690 650747751 /nfs/dbraw/zinc/74/77/51/650747751.db2.gz QESXPRBDZVFCEA-AWEZNQCLSA-N 0 3 285.391 2.093 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccccn2)C1 ZINC000998359831 642396005 /nfs/dbraw/zinc/39/60/05/642396005.db2.gz QMKIZWUXGQIKLM-UHFFFAOYSA-N 0 3 279.771 2.027 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC2=CCOCC2)C1 ZINC000999351410 642482533 /nfs/dbraw/zinc/48/25/33/642482533.db2.gz NUVZAEFPIWSESE-UHFFFAOYSA-N 0 3 298.814 2.055 20 30 CEEDHN C[C@H](CC#N)C(=O)OCCN(C)Cc1ccccc1 ZINC000849853122 642490618 /nfs/dbraw/zinc/49/06/18/642490618.db2.gz UTXJYDXXVGJGLJ-CYBMUJFWSA-N 0 3 260.337 2.211 20 30 CEEDHN COc1cc(C(=O)OCCN2CCCCC2)ccc1C#N ZINC000849901657 642507617 /nfs/dbraw/zinc/50/76/17/642507617.db2.gz FZCGFBDKOHFLJX-UHFFFAOYSA-N 0 3 288.347 2.210 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)c3cc[nH]c3CC)CC2)CC1 ZINC001000137568 642539009 /nfs/dbraw/zinc/53/90/09/642539009.db2.gz BFXNZQGPPGFXAX-UHFFFAOYSA-N 0 3 299.418 2.185 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3C[C@H]3CC)CC2)CC1 ZINC001000269879 642574356 /nfs/dbraw/zinc/57/43/56/642574356.db2.gz AXJLBIVSFHHEOX-UKRRQHHQSA-N 0 3 274.408 2.027 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@H]3COC4(CCC4)C3)n2c1 ZINC000850367430 642684477 /nfs/dbraw/zinc/68/44/77/642684477.db2.gz INMAWIWRCSXTHH-CYBMUJFWSA-N 0 3 282.347 2.007 20 30 CEEDHN CC(C)[C@](C)(CO)NCc1cc(C#N)cnc1Cl ZINC000877538781 650775696 /nfs/dbraw/zinc/77/56/96/650775696.db2.gz DPIBQDYKJMEJAW-ZDUSSCGKSA-N 0 3 267.760 2.103 20 30 CEEDHN CC#CCN1CCC(CNC(=O)c2cc(C)c(C)o2)CC1 ZINC001001312565 642709696 /nfs/dbraw/zinc/70/96/96/642709696.db2.gz QVCBOKBIPONPQM-UHFFFAOYSA-N 0 3 288.391 2.362 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2cc(CCC)on2)CC1 ZINC001001323829 642710439 /nfs/dbraw/zinc/71/04/39/642710439.db2.gz CESPHCNXJLGIAF-UHFFFAOYSA-N 0 3 289.379 2.175 20 30 CEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCO[C@H](CC)C2)CC1 ZINC001001352793 642714238 /nfs/dbraw/zinc/71/42/38/642714238.db2.gz BNNRRTLNHUMWHA-HZPDHXFCSA-N 0 3 292.423 2.126 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2cccc(F)c2C)CC1 ZINC001001423561 642720899 /nfs/dbraw/zinc/72/08/99/642720899.db2.gz DJNPFCVCXKTJRH-UHFFFAOYSA-N 0 3 288.366 2.209 20 30 CEEDHN CC#CCN1CCC(CNC(=O)c2cccc(CC)n2)CC1 ZINC001001490079 642724293 /nfs/dbraw/zinc/72/42/93/642724293.db2.gz ZMYJFBJGRSUNME-UHFFFAOYSA-N 0 3 299.418 2.109 20 30 CEEDHN CC#CCN1CCC(CNC(=O)[C@H]2CCC2(C)C)CC1 ZINC001001750012 642735025 /nfs/dbraw/zinc/73/50/25/642735025.db2.gz OPLJKVOHWGKMDB-OAHLLOKOSA-N 0 3 276.424 2.274 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2cc[nH]c2C2CCC2)CC1 ZINC001001835091 642740395 /nfs/dbraw/zinc/74/03/95/642740395.db2.gz VNFOXYOTCTYFIQ-UHFFFAOYSA-N 0 3 299.418 2.357 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2cccc(C)c2C)CC1 ZINC001002102879 642755288 /nfs/dbraw/zinc/75/52/88/642755288.db2.gz PYRZLVGFIQFSCO-UHFFFAOYSA-N 0 3 284.403 2.378 20 30 CEEDHN C[C@@H](CCC#N)CN1CCN(c2cccc(F)n2)CC1 ZINC000877565538 650792431 /nfs/dbraw/zinc/79/24/31/650792431.db2.gz IJHUOPNEPGVDLL-ZDUSSCGKSA-N 0 3 276.359 2.283 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cnoc2C(C)C)CC1 ZINC001003895188 643016668 /nfs/dbraw/zinc/01/66/68/643016668.db2.gz FUAWNWCFOCHBQO-UHFFFAOYSA-N 0 3 277.368 2.178 20 30 CEEDHN COC(OC)[C@@H](C)NCc1ccc(N(C)CCC#N)cc1 ZINC000922310120 643017706 /nfs/dbraw/zinc/01/77/06/643017706.db2.gz CBGXJNWJDKOKJI-CYBMUJFWSA-N 0 3 291.395 2.133 20 30 CEEDHN N#Cc1cc(CNC[C@@H]2CC3(CO2)CCOCC3)cs1 ZINC000922317299 643025360 /nfs/dbraw/zinc/02/53/60/643025360.db2.gz XVJHONJTHZQUIQ-ZDUSSCGKSA-N 0 3 292.404 2.295 20 30 CEEDHN C=CCCNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000851641978 643105881 /nfs/dbraw/zinc/10/58/81/643105881.db2.gz SMROVOKDXKWIQQ-NSHDSACASA-N 0 3 267.760 2.126 20 30 CEEDHN C#CCOCCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000851748445 643143244 /nfs/dbraw/zinc/14/32/44/643143244.db2.gz NPGIKMZWGFZOKB-OAHLLOKOSA-N 0 3 287.359 2.245 20 30 CEEDHN C=CCC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000321016097 643166478 /nfs/dbraw/zinc/16/64/78/643166478.db2.gz NJAFJXSXFNDZHB-LBPRGKRZSA-N 0 3 285.771 2.471 20 30 CEEDHN C=CCN(C)C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000851954949 643242755 /nfs/dbraw/zinc/24/27/55/643242755.db2.gz REQWHOLKVJJFQH-ZDUSSCGKSA-N 0 3 296.411 2.273 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)N(C)Cc1ccccc1F ZINC000852097689 643301165 /nfs/dbraw/zinc/30/11/65/643301165.db2.gz UTCZJHAEQSWDMN-MRXNPFEDSA-N 0 3 276.355 2.176 20 30 CEEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)NCC1CCCCC1 ZINC000852098955 643301961 /nfs/dbraw/zinc/30/19/61/643301961.db2.gz ZZSHDPFZNQJGFI-CJNGLKHVSA-N 0 3 264.413 2.463 20 30 CEEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1cccc(OC)c1 ZINC000852099916 643303437 /nfs/dbraw/zinc/30/34/37/643303437.db2.gz RMSWLXGGIPTPMT-DYVFJYSZSA-N 0 3 288.391 2.091 20 30 CEEDHN C#C[C@](C)(CC)NCCOC(=O)Cc1ccccc1 ZINC000852100494 643304361 /nfs/dbraw/zinc/30/43/61/643304361.db2.gz HHSPILSPASJQQC-MRXNPFEDSA-N 0 3 259.349 2.164 20 30 CEEDHN C#CCOCCN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000852173689 643340138 /nfs/dbraw/zinc/34/01/38/643340138.db2.gz XIYNYYDOHKQVCP-QGZVFWFLSA-N 0 3 285.387 2.490 20 30 CEEDHN C#CC[C@H]1CCCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000852415268 643419787 /nfs/dbraw/zinc/41/97/87/643419787.db2.gz YQNIVXROOWIZCM-LSDHHAIUSA-N 0 3 291.439 2.304 20 30 CEEDHN C=C1CCC(CNC(=O)N[C@@H]2CCN(CC)C2)CC1 ZINC000922910872 643448898 /nfs/dbraw/zinc/44/88/98/643448898.db2.gz SZSZGRFWNCTJOD-CQSZACIVSA-N 0 3 265.401 2.126 20 30 CEEDHN C#CCCN(CCOC)C[C@@H](O)c1cc2ccccc2o1 ZINC000852749208 643535115 /nfs/dbraw/zinc/53/51/15/643535115.db2.gz SMZQBIJICMXYEQ-OAHLLOKOSA-N 0 3 287.359 2.438 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCC[C@@H](OC)C2)CC1 ZINC001005901480 643542994 /nfs/dbraw/zinc/54/29/94/643542994.db2.gz LMHNMJGLIDACNC-GOEBONIOSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001006112714 643741239 /nfs/dbraw/zinc/74/12/39/643741239.db2.gz KHJYRRJZLQCGQD-LSDHHAIUSA-N 0 3 262.397 2.141 20 30 CEEDHN COC(=O)C1(C#N)CCN(C[C@H](C)CC(C)C)CC1 ZINC000824871078 643789145 /nfs/dbraw/zinc/78/91/45/643789145.db2.gz BCQMYOIGTSKBLS-CYBMUJFWSA-N 0 3 266.385 2.447 20 30 CEEDHN C=CCN(Cc1cc2c(cc1O)OCO2)[C@@H](C)COC ZINC000853533255 643804927 /nfs/dbraw/zinc/80/49/27/643804927.db2.gz ZQBXBTCNPHUYCP-NSHDSACASA-N 0 3 279.336 2.144 20 30 CEEDHN C=CC[C@@H]1CCCN(CN2C[C@H](CC)CC2=O)C1 ZINC000853536875 643805777 /nfs/dbraw/zinc/80/57/77/643805777.db2.gz JWTYVGRGROYQOO-ZIAGYGMSSA-N 0 3 250.386 2.491 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000838622732 643980944 /nfs/dbraw/zinc/98/09/44/643980944.db2.gz KHQITDAEOSMIJL-GJZGRUSLSA-N 0 3 279.428 2.162 20 30 CEEDHN C#C[C@@](C)(CC)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000854696805 644134189 /nfs/dbraw/zinc/13/41/89/644134189.db2.gz NRIXEXCNLHURLS-AEFFLSMTSA-N 0 3 299.418 2.212 20 30 CEEDHN CNC(=O)CN(Cc1ccccc1)C[C@@H](C)CCC#N ZINC000877772958 650905319 /nfs/dbraw/zinc/90/53/19/650905319.db2.gz VUSDPVVTMXOPHZ-AWEZNQCLSA-N 0 3 273.380 2.174 20 30 CEEDHN C#CCSc1nnc(CCN2CCCCC2)n1CC=C ZINC000805021026 644279719 /nfs/dbraw/zinc/27/97/19/644279719.db2.gz CJCBOJZPVKPWIZ-UHFFFAOYSA-N 0 3 290.436 2.218 20 30 CEEDHN CC[C@@H](C[C@@H](C)O)NCc1cc(C#N)cnc1Cl ZINC000877779152 650907218 /nfs/dbraw/zinc/90/72/18/650907218.db2.gz ZNEAMWFPMYZRAL-SKDRFNHKSA-N 0 3 267.760 2.246 20 30 CEEDHN C=CCN(C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)C(C)C ZINC000753944690 644300510 /nfs/dbraw/zinc/30/05/10/644300510.db2.gz GVPQXGBEVPCSHJ-STQMWFEESA-N 0 3 265.401 2.218 20 30 CEEDHN C#CCOc1ccc(CNCc2cccnc2)cc1 ZINC000113311816 644333037 /nfs/dbraw/zinc/33/30/37/644333037.db2.gz SRHDADQVACKHMP-UHFFFAOYSA-N 0 3 252.317 2.383 20 30 CEEDHN CC(C)N1CC(N=Nc2ccc(Cl)nn2)[C@H](C)C1 ZINC000754253252 644347114 /nfs/dbraw/zinc/34/71/14/644347114.db2.gz CFDJTIUPXZEXIA-SECBINFHSA-N 0 3 267.764 2.258 20 30 CEEDHN CCN(C(=O)C#Cc1cccs1)[C@@H]1CCN(CC)C1 ZINC000855487767 644369161 /nfs/dbraw/zinc/36/91/61/644369161.db2.gz XWWHPUQJONZCOJ-CYBMUJFWSA-N 0 3 276.405 2.042 20 30 CEEDHN COC(=O)C[C@H](NCc1cc(C#N)ccc1F)C1CC1 ZINC000754519622 644384390 /nfs/dbraw/zinc/38/43/90/644384390.db2.gz OQGHEPGZSSKALR-AWEZNQCLSA-N 0 3 276.311 2.129 20 30 CEEDHN CCN(CCC#N)C(=O)CN[C@H](C)c1ccc(C)s1 ZINC000754670053 644412186 /nfs/dbraw/zinc/41/21/86/644412186.db2.gz KJPCTORIOZXHDC-GFCCVEGCSA-N 0 3 279.409 2.469 20 30 CEEDHN C#CCCCCCN1CCN(Cc2ccccn2)CC1 ZINC000877926690 650949373 /nfs/dbraw/zinc/94/93/73/650949373.db2.gz PFQGFGWNKWVNCK-UHFFFAOYSA-N 0 3 271.408 2.393 20 30 CEEDHN Cc1cc(Cl)nc(CNC[C@@H](O)CC(C)(C)C#N)c1 ZINC000857237327 644866043 /nfs/dbraw/zinc/86/60/43/644866043.db2.gz SQTBYWCWHZNQDG-LBPRGKRZSA-N 0 3 281.787 2.434 20 30 CEEDHN C=CC[C@@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000877965984 650961152 /nfs/dbraw/zinc/96/11/52/650961152.db2.gz VLUKEMXJSNYLFH-CYBMUJFWSA-N 0 3 256.353 2.040 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccns2)CC1 ZINC000858236166 645095385 /nfs/dbraw/zinc/09/53/85/645095385.db2.gz CJMLHOSPHSWRAY-LLVKDONJSA-N 0 3 294.424 2.154 20 30 CEEDHN C#CC[C@H](COC)NCc1ccc(OC)c(OC)c1C ZINC000858334861 645121961 /nfs/dbraw/zinc/12/19/61/645121961.db2.gz GQQAPRJCDXHYKE-CQSZACIVSA-N 0 3 277.364 2.140 20 30 CEEDHN C#CC[C@@H](COC)NCc1cc(OC)c(OC)cc1C ZINC000858335193 645123530 /nfs/dbraw/zinc/12/35/30/645123530.db2.gz NLRXIMWVJPJRPC-AWEZNQCLSA-N 0 3 277.364 2.140 20 30 CEEDHN C#CC[C@@H](COC)NCc1cnc(-c2ccccn2)s1 ZINC000858335217 645123560 /nfs/dbraw/zinc/12/35/60/645123560.db2.gz OYGOPVOIPDLTBD-LBPRGKRZSA-N 0 3 287.388 2.333 20 30 CEEDHN N#CC(C(=O)c1c(Cl)nc2ccccn21)c1ccncn1 ZINC000760338524 645142146 /nfs/dbraw/zinc/14/21/46/645142146.db2.gz FSWVZDIQNFCGCC-SECBINFHSA-N 0 3 297.705 2.268 20 30 CEEDHN Cc1cccc(C)c1OCC(=O)C(C#N)c1ccncn1 ZINC000760342479 645143320 /nfs/dbraw/zinc/14/33/20/645143320.db2.gz YCXDQXLJAGJFKM-CYBMUJFWSA-N 0 3 281.315 2.349 20 30 CEEDHN C[C@H](NCC(=O)NCCC#N)c1ccc2c(c1)CCCC2 ZINC000760892012 645206980 /nfs/dbraw/zinc/20/69/80/645206980.db2.gz QGXYETBVZIMCHV-ZDUSSCGKSA-N 0 3 285.391 2.246 20 30 CEEDHN C[C@H]1CN(CC#Cc2ccc(Cl)cc2)CCN1C ZINC000761071593 645231395 /nfs/dbraw/zinc/23/13/95/645231395.db2.gz QEZFANGTXAKINX-ZDUSSCGKSA-N 0 3 262.784 2.327 20 30 CEEDHN CC1(C)CC(=Nn2cnnc2)CN1Cc1ccccc1 ZINC000761247923 645261114 /nfs/dbraw/zinc/26/11/14/645261114.db2.gz CSUJHTHXXFUXQY-UHFFFAOYSA-N 0 3 269.352 2.167 20 30 CEEDHN C#CCCOC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000859083379 645353622 /nfs/dbraw/zinc/35/36/22/645353622.db2.gz LFRLKMBUSNXRFM-GJZGRUSLSA-N 0 3 272.348 2.181 20 30 CEEDHN CCO[C@H](C(=O)C(C#N)c1cc(C)nc(C)n1)C1CC1 ZINC000860466780 645798890 /nfs/dbraw/zinc/79/88/90/645798890.db2.gz WXOZGVXZVSFNSJ-WFASDCNBSA-N 0 3 273.336 2.085 20 30 CEEDHN Cc1ccccc1C[C@H](C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000860473233 645800695 /nfs/dbraw/zinc/80/06/95/645800695.db2.gz KCYTVRFYEHHCPR-SWLSCSKDSA-N 0 3 284.359 2.161 20 30 CEEDHN C#CCCCCCN(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000878256806 651046227 /nfs/dbraw/zinc/04/62/27/651046227.db2.gz CQKYFXRAGGNUKO-GJZGRUSLSA-N 0 3 285.453 2.468 20 30 CEEDHN C=CC[C@H](C)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000878261430 651048315 /nfs/dbraw/zinc/04/83/15/651048315.db2.gz LFECOKHVPQYTIQ-LBPRGKRZSA-N 0 3 284.354 2.360 20 30 CEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H](F)c1ccccc1 ZINC000769297338 646237902 /nfs/dbraw/zinc/23/79/02/646237902.db2.gz ZGEDVEYESOKZDO-KGLIPLIRSA-N 0 3 288.322 2.465 20 30 CEEDHN C#CCOc1ccc(C(=O)OCCN2CCCCC2)cc1 ZINC000770386414 646384761 /nfs/dbraw/zinc/38/47/61/646384761.db2.gz VOSQIUJCDVAVMI-UHFFFAOYSA-N 0 3 287.359 2.341 20 30 CEEDHN N#CC(C(=O)CCC(=O)c1ccccn1)c1ccccn1 ZINC000770839818 646443797 /nfs/dbraw/zinc/44/37/97/646443797.db2.gz QHJRCHZAXOROHU-LBPRGKRZSA-N 0 3 279.299 2.316 20 30 CEEDHN CC(C)(CCC#N)CN1CCN(c2ccc(C#N)nc2)CC1 ZINC000862422091 646454949 /nfs/dbraw/zinc/45/49/49/646454949.db2.gz RCPIPWWUCIHCJE-UHFFFAOYSA-N 0 3 297.406 2.405 20 30 CEEDHN Cc1cc(NN=Cc2c(C(F)(F)F)cnn2C)ccn1 ZINC000863160373 646657884 /nfs/dbraw/zinc/65/78/84/646657884.db2.gz BKMOOUPIJZHJOM-UHFFFAOYSA-N 0 3 283.257 2.010 20 30 CEEDHN Cc1cc(NN=Cc2cc(C(F)(F)F)nn2C)ccn1 ZINC000863160686 646658140 /nfs/dbraw/zinc/65/81/40/646658140.db2.gz ORUVICGSKPRSIT-UHFFFAOYSA-N 0 3 283.257 2.010 20 30 CEEDHN CCn1c(CNC[C@@H](O)CC2(C#N)CC2)nc2ccccc21 ZINC000863548109 646754115 /nfs/dbraw/zinc/75/41/15/646754115.db2.gz NZHNJWYRNNDQQN-ZDUSSCGKSA-N 0 3 298.390 2.201 20 30 CEEDHN C=CC[C@@H](CO)CNCc1c(Cl)nc(Cl)n1C ZINC000774827005 646900507 /nfs/dbraw/zinc/90/05/07/646900507.db2.gz LYUBPWVFEZJUDB-MRVPVSSYSA-N 0 3 278.183 2.001 20 30 CEEDHN COC(=O)/C(C)=C/CN[C@H](C)c1cccc(C#N)c1 ZINC000775334979 646941512 /nfs/dbraw/zinc/94/15/12/646941512.db2.gz BAZDWOCAWDVVMA-YTRUQHMWSA-N 0 3 258.321 2.328 20 30 CEEDHN C#C[C@H](N[C@H]1CCN(c2ccccc2)C1)[C@H]1CCCO1 ZINC000775571870 646967376 /nfs/dbraw/zinc/96/73/76/646967376.db2.gz LTTVXPSIUOUVIE-BHYGNILZSA-N 0 3 270.376 2.036 20 30 CEEDHN C#C[C@@H](NCCOc1ccc(OCC)cc1)[C@H]1CCCO1 ZINC000775793689 646993913 /nfs/dbraw/zinc/99/39/13/646993913.db2.gz MTHFYHYUWAXNJB-IAGOWNOFSA-N 0 3 289.375 2.235 20 30 CEEDHN C#CCCN1CCN(CCN2CCCc3ccccc32)CC1 ZINC000776592590 647076673 /nfs/dbraw/zinc/07/66/73/647076673.db2.gz KFGJGMQSNHTDBM-UHFFFAOYSA-N 0 3 297.446 2.080 20 30 CEEDHN COc1ccc(CN(C)C)cc1NC(=O)c1coc(C#N)c1 ZINC000864846773 647120134 /nfs/dbraw/zinc/12/01/34/647120134.db2.gz KKZJYOFOSZAWNM-UHFFFAOYSA-N 0 3 299.330 2.474 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)c1sccc1CC#N ZINC000864861017 647122029 /nfs/dbraw/zinc/12/20/29/647122029.db2.gz XQDRHUKLCGDNKA-GFCCVEGCSA-N 0 3 291.420 2.418 20 30 CEEDHN CCCCCCCNCc1cn(C[C@H]2CCOC2)nn1 ZINC000865404288 647277244 /nfs/dbraw/zinc/27/72/44/647277244.db2.gz IABHHPDKIZVUIM-CQSZACIVSA-N 0 3 280.416 2.375 20 30 CEEDHN CCCn1cc(CNCC2CCC(C#N)CC2)nn1 ZINC000865553468 647356862 /nfs/dbraw/zinc/35/68/62/647356862.db2.gz TYSYFJBNDGTTFD-UHFFFAOYSA-N 0 3 261.373 2.108 20 30 CEEDHN COC(=O)c1cccc(N=NC2C[C@H](C)N(C3CC3)C2)c1 ZINC000779827663 647363040 /nfs/dbraw/zinc/36/30/40/647363040.db2.gz MMKLBAVQAYHPKG-NSHDSACASA-N 0 3 287.363 2.498 20 30 CEEDHN C=CCCn1cc(CN[C@@H](C2CCC2)[C@@H]2CCOC2)nn1 ZINC000865759836 647455125 /nfs/dbraw/zinc/45/51/25/647455125.db2.gz SFQKDLIGMMKCIM-ZBFHGGJFSA-N 0 3 290.411 2.149 20 30 CEEDHN C#CCCCCCC(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000780675171 647457738 /nfs/dbraw/zinc/45/77/38/647457738.db2.gz NPMSPKYXOSNLEU-KBPBESRZSA-N 0 3 282.453 2.074 20 30 CEEDHN N#CCC1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000781926734 647572804 /nfs/dbraw/zinc/57/28/04/647572804.db2.gz KFIKOQHCJAWVEP-UHFFFAOYSA-N 0 3 281.363 2.393 20 30 CEEDHN CC(CCc1n[nH]c2ccccc21)=Nn1cnnc1 ZINC000782221250 647603110 /nfs/dbraw/zinc/60/31/10/647603110.db2.gz MCBHYFKVJPZILM-UHFFFAOYSA-N 0 3 254.297 2.011 20 30 CEEDHN N#CC(C(=O)CCCc1ccsc1)C(=O)N1CCCC1 ZINC000783350848 647709677 /nfs/dbraw/zinc/70/96/77/647709677.db2.gz QTLOLOJIJIEXPQ-ZDUSSCGKSA-N 0 3 290.388 2.402 20 30 CEEDHN C[C@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1ncc[nH]1 ZINC000866618335 647844973 /nfs/dbraw/zinc/84/49/73/647844973.db2.gz YWDPCQXPSOMMDQ-HZMBPMFUSA-N 0 3 252.321 2.099 20 30 CEEDHN COC(C)(C)CC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000786311616 647999703 /nfs/dbraw/zinc/99/97/03/647999703.db2.gz KXPNSLAXECGNQN-CYBMUJFWSA-N 0 3 288.347 2.458 20 30 CEEDHN CC[C@@H](C)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786569617 648027713 /nfs/dbraw/zinc/02/77/13/648027713.db2.gz LDKYKMZXLUDZGI-KOLCDFICSA-N 0 3 294.301 2.336 20 30 CEEDHN CC(C)(C)[C@H](C#N)OC(=O)C1CCN(C2CC2)CC1 ZINC000788204400 648162130 /nfs/dbraw/zinc/16/21/30/648162130.db2.gz BYDKDDFNHYCSMB-ZDUSSCGKSA-N 0 3 264.369 2.342 20 30 CEEDHN C(=NN[C@@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000788438197 648184066 /nfs/dbraw/zinc/18/40/66/648184066.db2.gz BEEKMABVTUZXBR-OAHLLOKOSA-N 0 3 273.380 2.389 20 30 CEEDHN CC[C@@H](CC#N)OC(=O)C1CCN(C2CC2)CC1 ZINC000805929284 648434817 /nfs/dbraw/zinc/43/48/17/648434817.db2.gz ZGBLKCHBXAUOCD-ZDUSSCGKSA-N 0 3 250.342 2.096 20 30 CEEDHN COC1(CNCc2ccc(C#N)cn2)CCCCC1 ZINC000790990992 648469499 /nfs/dbraw/zinc/46/94/99/648469499.db2.gz JUDJIVMFYIVBKF-UHFFFAOYSA-N 0 3 259.353 2.392 20 30 CEEDHN CC(COC(=O)C(C)(C)c1ccc(C#N)cc1)[N+](=O)[O-] ZINC000870376290 648788717 /nfs/dbraw/zinc/78/87/17/648788717.db2.gz FVLQQSOVHLHNQM-SNVBAGLBSA-N 0 3 276.292 2.044 20 30 CEEDHN CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@@H]1CCC[C@@H]1C#N ZINC000870670123 648867434 /nfs/dbraw/zinc/86/74/34/648867434.db2.gz KKNRIVQODXRMOX-IOASZLSFSA-N 0 3 295.402 2.350 20 30 CEEDHN C[C@H]1C(N=Nc2nncc3ccccc32)CCN1C ZINC000872327172 649358587 /nfs/dbraw/zinc/35/85/87/649358587.db2.gz JVAJTRHSJCTCEY-JTQLQIEISA-N 0 3 255.325 2.122 20 30 CEEDHN C=CCN1CCC(NC(=O)c2c3c[nH]nc3ccc2C)CC1 ZINC000874436418 649774709 /nfs/dbraw/zinc/77/47/09/649774709.db2.gz FYGLKABGQLUBCA-UHFFFAOYSA-N 0 3 298.390 2.252 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874834512 649846665 /nfs/dbraw/zinc/84/66/65/649846665.db2.gz SHMLWFMUFNBCMF-HOTGVXAUSA-N 0 3 283.375 2.175 20 30 CEEDHN C[C@H](C#N)OCCN1CCC[C@H](c2cccnc2)C1 ZINC000878753278 651179302 /nfs/dbraw/zinc/17/93/02/651179302.db2.gz IBXVIMHQFFKDOS-HIFRSBDPSA-N 0 3 259.353 2.190 20 30 CEEDHN C[C@@H]1CN(CC[C@@H](O)c2ccccc2)C[C@H](C)N1CC#N ZINC000878771888 651182759 /nfs/dbraw/zinc/18/27/59/651182759.db2.gz YVSLQERTPWASSC-HLLBOEOZSA-N 0 3 287.407 2.028 20 30 CEEDHN C[C@@H]1CN(CCSC(C)(C)C)C[C@H](C)N1CC#N ZINC000878773034 651182837 /nfs/dbraw/zinc/18/28/37/651182837.db2.gz VHLPQOGUVQUUFO-BETUJISGSA-N 0 3 269.458 2.436 20 30 CEEDHN C=CCN(C[C@@H]1CCC2(CCOCC2)CO1)[C@@H](C)COC ZINC000878889687 651204377 /nfs/dbraw/zinc/20/43/77/651204377.db2.gz GDHGTBAKPFLJRG-HOTGVXAUSA-N 0 3 297.439 2.485 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879668680 651337486 /nfs/dbraw/zinc/33/74/86/651337486.db2.gz XFUBUQOSEKBPDJ-HBNTYKKESA-N 0 3 276.302 2.164 20 30 CEEDHN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3CCOCCC#N)no1 ZINC000879682044 651338504 /nfs/dbraw/zinc/33/85/04/651338504.db2.gz SBBYBYWUAJFFAB-AGUYFDCRSA-N 0 3 290.367 2.019 20 30 CEEDHN C#CCN1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879699683 651341229 /nfs/dbraw/zinc/34/12/29/651341229.db2.gz APQSFOLTKRJAJM-KGLIPLIRSA-N 0 3 278.396 2.341 20 30 CEEDHN C#CCC1(O)CCN(Cc2ccc(OC)cc2)CC1 ZINC000880481262 651448312 /nfs/dbraw/zinc/44/83/12/651448312.db2.gz PVSAPFMNVSNJBR-UHFFFAOYSA-N 0 3 259.349 2.045 20 30 CEEDHN C#CCN1CCC(C(=O)NCC(C)(C)CC(F)F)CC1 ZINC000881534364 651778679 /nfs/dbraw/zinc/77/86/79/651778679.db2.gz LTLPKZMETVBDSI-UHFFFAOYSA-N 0 3 286.366 2.129 20 30 CEEDHN Cc1ccc(N[C@H]2C[C@@H](C)N(C3CC3)C2)c(C#N)n1 ZINC000882073422 651952351 /nfs/dbraw/zinc/95/23/51/651952351.db2.gz QWMZGCSKKIAQIQ-NEPJUHHUSA-N 0 3 256.353 2.299 20 30 CEEDHN C#CC[C@H](CO)NCc1cccc(OCC(F)(F)F)c1 ZINC000883124128 652369632 /nfs/dbraw/zinc/36/96/32/652369632.db2.gz XDBZROUTDSVURV-GFCCVEGCSA-N 0 3 287.281 2.102 20 30 CEEDHN CC#CC[C@H](CO)NCc1cnc(-c2ccncc2)s1 ZINC000883156309 652382346 /nfs/dbraw/zinc/38/23/46/652382346.db2.gz KRWSTAGDMRTRJW-CYBMUJFWSA-N 0 3 287.388 2.069 20 30 CEEDHN C=CCC[C@@H](Cc1ccccc1)NCc1cn(C)nn1 ZINC000883215518 652402565 /nfs/dbraw/zinc/40/25/65/652402565.db2.gz AQXMVYBXFMGLNF-HNNXBMFYSA-N 0 3 270.380 2.482 20 30 CEEDHN C#CC1(NCc2ccc(N(C)CCOC)nc2)CCCC1 ZINC000883362427 652443966 /nfs/dbraw/zinc/44/39/66/652443966.db2.gz CXQCJXKFOOZKPB-UHFFFAOYSA-N 0 3 287.407 2.200 20 30 CEEDHN C[C@H](N[C@@H]1CC(=O)N(CC2CC2)C1)c1ccc(C#N)cc1 ZINC000883394953 652454105 /nfs/dbraw/zinc/45/41/05/652454105.db2.gz KKVUADKEFWIYCB-BLLLJJGKSA-N 0 3 283.375 2.220 20 30 CEEDHN C=C(Br)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000132741950 652551713 /nfs/dbraw/zinc/55/17/13/652551713.db2.gz OEWFEZMIADIDEV-AXFHLTTASA-N 0 3 272.186 2.442 20 30 CEEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccccc1Cl)C2 ZINC000884044898 652655776 /nfs/dbraw/zinc/65/57/76/652655776.db2.gz ZOIGXTWVPKWTMM-VTWZXRTESA-N 0 3 289.766 2.418 20 30 CEEDHN CC(C)(C)CCCCNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884125601 652717684 /nfs/dbraw/zinc/71/76/84/652717684.db2.gz CKEPZLOYTKJROI-XOYHFGRZSA-N 0 3 291.439 2.458 20 30 CEEDHN CC(C)C[C@@H]1CCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)C1 ZINC000884133840 652722533 /nfs/dbraw/zinc/72/25/33/652722533.db2.gz MSNMWACMBSSNDP-BOLLXYOYSA-N 0 3 289.423 2.020 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N(C(=O)C2CC3(C2)CNC[C@H]3C#N)C1 ZINC000884143403 652726693 /nfs/dbraw/zinc/72/66/93/652726693.db2.gz HGVUMIWHBGTIAQ-SFKIEKTPSA-N 0 3 289.423 2.163 20 30 CEEDHN C[C@@H]1CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1(C)C ZINC000884332821 652798744 /nfs/dbraw/zinc/79/87/44/652798744.db2.gz WQCBBNOJUHDRGW-SMOJQAGNSA-N 0 3 289.423 2.020 20 30 CEEDHN C[C@H]1CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1(C)C ZINC000884332822 652798879 /nfs/dbraw/zinc/79/88/79/652798879.db2.gz WQCBBNOJUHDRGW-XCCIUEIHSA-N 0 3 289.423 2.020 20 30 CEEDHN CCC(C)(C)[C@@H](C)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884400813 652835041 /nfs/dbraw/zinc/83/50/41/652835041.db2.gz VBMHJVVQKLXAPB-ISGSLZAZSA-N 0 3 277.412 2.067 20 30 CEEDHN CCC(C)(C)[C@H](C)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884400814 652835064 /nfs/dbraw/zinc/83/50/64/652835064.db2.gz VBMHJVVQKLXAPB-OPXGVBIBSA-N 0 3 277.412 2.067 20 30 CEEDHN C=CCC1(NC(=O)C2CC3(C2)CNC[C@H]3C#N)CCCC1 ZINC000884410329 652839526 /nfs/dbraw/zinc/83/95/26/652839526.db2.gz GWOWUWQFFMIJSO-NPCAHTBFSA-N 0 3 287.407 2.131 20 30 CEEDHN C#CCCN(C)Cc1ccccc1CNC(=O)CC ZINC001280315386 805648496 /nfs/dbraw/zinc/64/84/96/805648496.db2.gz OAHDBQHNSLHORB-UHFFFAOYSA-N 0 3 258.365 2.168 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)c(C)cn2)[C@H]1CC ZINC001087667408 805767855 /nfs/dbraw/zinc/76/78/55/805767855.db2.gz WSORVGBTLJETDC-GOEBONIOSA-N 0 3 287.407 2.467 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(CC)cc2)[C@H]1CC ZINC001087744385 805785208 /nfs/dbraw/zinc/78/52/08/805785208.db2.gz NXPDHSNGHBCMJL-ZWKOTPCHSA-N 0 3 298.430 2.394 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)CC3CCCC3)C[C@@H]2C1 ZINC001087872271 805830131 /nfs/dbraw/zinc/83/01/31/805830131.db2.gz WUXVJAZVXVFDCF-SJORKVTESA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@H]3C=CCCC3)C[C@@H]2C1 ZINC001088010346 805880109 /nfs/dbraw/zinc/88/01/09/805880109.db2.gz RHXGMFCWCOGGIS-BBWFWOEESA-N 0 3 286.419 2.146 20 30 CEEDHN N#Cc1cccc(-c2noc(-c3ccc(CN)nc3)n2)c1 ZINC001214113362 806045202 /nfs/dbraw/zinc/04/52/02/806045202.db2.gz AACKBFPJQMVKIA-UHFFFAOYSA-N 0 3 277.287 2.129 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ccon2)C1 ZINC001088268121 806070187 /nfs/dbraw/zinc/07/01/87/806070187.db2.gz JEPLGIFEAOEKIW-GFCCVEGCSA-N 0 3 297.786 2.402 20 30 CEEDHN C=C(Cl)CN[C@H](CNC(=O)[C@H]1C[C@@H]1C)C(C)C ZINC001271885780 806128044 /nfs/dbraw/zinc/12/80/44/806128044.db2.gz PUCDIDVACONAKB-ZMLRMANQSA-N 0 3 258.793 2.125 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H]2C=CCC2)[C@H]1C ZINC001088460689 806262302 /nfs/dbraw/zinc/26/23/02/806262302.db2.gz ADVKISFRIWRJQU-KFWWJZLASA-N 0 3 262.397 2.498 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccoc2Cl)[C@H]1C ZINC001088543143 806363738 /nfs/dbraw/zinc/36/37/38/806363738.db2.gz MGZLNJHANYOWHB-PWSUYJOCSA-N 0 3 280.755 2.149 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cncc2[nH]ccc21 ZINC001272055070 806391074 /nfs/dbraw/zinc/39/10/74/806391074.db2.gz GTDNFEQGZVMLMV-UHFFFAOYSA-N 0 3 286.379 2.143 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(CC)ccn2)[C@H]1C ZINC001088586956 806484949 /nfs/dbraw/zinc/48/49/49/806484949.db2.gz RTLFCUNOFFZRBB-HIFRSBDPSA-N 0 3 287.407 2.413 20 30 CEEDHN CN1CC2(C1)CCN(C(=O)C#CC1CCCCC1)CC2 ZINC001272147860 806563087 /nfs/dbraw/zinc/56/30/87/806563087.db2.gz GBPJCPZUYAJGEZ-UHFFFAOYSA-N 0 3 274.408 2.124 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)CC2CC(F)(F)C2)[C@H]1C ZINC001088675584 806588190 /nfs/dbraw/zinc/58/81/90/806588190.db2.gz ZSTMYVLXIQHHLZ-PWSUYJOCSA-N 0 3 272.339 2.187 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2CCC(C)(C)CO2)[C@H]1C ZINC001088758019 806703417 /nfs/dbraw/zinc/70/34/17/806703417.db2.gz XSWUDBAQGNFOKE-ILXRZTDVSA-N 0 3 294.439 2.347 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C2CCC(F)CC2)[C@H]1C ZINC001088838659 806918744 /nfs/dbraw/zinc/91/87/44/806918744.db2.gz VIDGCSIBSLHPQC-URGYJCLVSA-N 0 3 280.387 2.117 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1ccc(F)c(F)c1 ZINC001266282506 802361170 /nfs/dbraw/zinc/36/11/70/802361170.db2.gz FJYBKXBTAFCXKA-UHFFFAOYSA-N 0 3 268.307 2.203 20 30 CEEDHN C=CCC[C@H](C)N1CC[C@@H](NC(=O)c2cncs2)C1 ZINC001266304867 802419573 /nfs/dbraw/zinc/41/95/73/802419573.db2.gz GUBLEJWSTIBFRC-NWDGAFQWSA-N 0 3 279.409 2.302 20 30 CEEDHN C=CCN(C)CCNC(=O)c1coc(C(F)F)c1 ZINC001266313575 802427662 /nfs/dbraw/zinc/42/76/62/802427662.db2.gz LWDRXYSUTWUEAJ-UHFFFAOYSA-N 0 3 258.268 2.065 20 30 CEEDHN C=CCN(C)CCNC(=O)c1cc(F)ccc1Cl ZINC001266330353 802447825 /nfs/dbraw/zinc/44/78/25/802447825.db2.gz WELILIBMXJZIST-UHFFFAOYSA-N 0 3 270.735 2.327 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)COCc1ccccc1C ZINC001266334911 802452573 /nfs/dbraw/zinc/45/25/73/802452573.db2.gz AHFSMANXZIGQLA-UHFFFAOYSA-N 0 3 290.407 2.136 20 30 CEEDHN C=CCCCN1CCn2cc(CN3CCCC3)nc2C1 ZINC001209160665 802478538 /nfs/dbraw/zinc/47/85/38/802478538.db2.gz AKPAYFNNVXWOCP-UHFFFAOYSA-N 0 3 274.412 2.261 20 30 CEEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC1CCC1 ZINC001049406867 808803432 /nfs/dbraw/zinc/80/34/32/808803432.db2.gz NTZNNOSYQUOZAS-JKSUJKDBSA-N 0 3 274.408 2.265 20 30 CEEDHN C=CCN(CC)CCNC(=O)CCc1ccsc1 ZINC001266394734 802518459 /nfs/dbraw/zinc/51/84/59/802518459.db2.gz WZDLXUWHZNIJPT-UHFFFAOYSA-N 0 3 266.410 2.305 20 30 CEEDHN C=CCN(CC)CCNC(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001266422845 802555929 /nfs/dbraw/zinc/55/59/29/802555929.db2.gz SGSDYZYEZKHTAW-UHFFFAOYSA-N 0 3 298.390 2.314 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccnc(C)c2)C1 ZINC001034452861 809611774 /nfs/dbraw/zinc/61/17/74/809611774.db2.gz DTSRZZHOEOQCQL-OAHLLOKOSA-N 0 3 273.380 2.160 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](CCC)OCC ZINC001266477585 802623986 /nfs/dbraw/zinc/62/39/86/802623986.db2.gz RTJWQBGOSOSPAE-GJZGRUSLSA-N 0 3 282.428 2.348 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)C(C)(C)c2ccccc2C)C1 ZINC001266550820 802705912 /nfs/dbraw/zinc/70/59/12/802705912.db2.gz DQIIBFKNRZANNV-MRXNPFEDSA-N 0 3 298.430 2.344 20 30 CEEDHN C#CCN(CCC)CCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001266568095 802724137 /nfs/dbraw/zinc/72/41/37/802724137.db2.gz DRBFPSABQVBUCU-CABCVRRESA-N 0 3 264.413 2.274 20 30 CEEDHN C=CCN(CCNC(=O)c1c(C)noc1C(C)C)C1CC1 ZINC001266597038 802755168 /nfs/dbraw/zinc/75/51/68/802755168.db2.gz SSXXMZXXJBLJID-UHFFFAOYSA-N 0 3 291.395 2.487 20 30 CEEDHN C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001079435946 810211770 /nfs/dbraw/zinc/21/17/70/810211770.db2.gz WPYAQZMLPGVQCH-UKRRQHHQSA-N 0 3 288.391 2.409 20 30 CEEDHN C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001079435946 810211772 /nfs/dbraw/zinc/21/17/72/810211772.db2.gz WPYAQZMLPGVQCH-UKRRQHHQSA-N 0 3 288.391 2.409 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001266670515 802828280 /nfs/dbraw/zinc/82/82/80/802828280.db2.gz WWKPDXUBKSVNFU-QWCJWFIWSA-N 0 3 268.788 2.332 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)CCCCC)C1 ZINC001266740457 802874669 /nfs/dbraw/zinc/87/46/69/802874669.db2.gz RJCVIWVHRVZXHJ-CQSZACIVSA-N 0 3 250.386 2.028 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)C2(CC)CC2)C1 ZINC001266761160 802885353 /nfs/dbraw/zinc/88/53/53/802885353.db2.gz VJQCHYBJEKXJHV-CQSZACIVSA-N 0 3 262.397 2.028 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001266770072 802890296 /nfs/dbraw/zinc/89/02/96/802890296.db2.gz OBWMAYAFYFEEEW-WMZOPIPTSA-N 0 3 296.414 2.418 20 30 CEEDHN CC#CCNCCN(C)C(=O)C1(CC(C)C)CCC1 ZINC001266770839 802891004 /nfs/dbraw/zinc/89/10/04/802891004.db2.gz IUNAMACIDJWBKI-UHFFFAOYSA-N 0 3 264.413 2.274 20 30 CEEDHN C#CCNCCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001266814979 802918255 /nfs/dbraw/zinc/91/82/55/802918255.db2.gz BYVKIZBSOVKXQB-GHMZBOCLSA-N 0 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810491104 /nfs/dbraw/zinc/49/11/04/810491104.db2.gz BMPSHVGETAQRQF-HUUCEWRRSA-N 0 3 262.397 2.285 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1 ZINC001017474286 810525822 /nfs/dbraw/zinc/52/58/22/810525822.db2.gz DJQDBRQCEGWCEU-IYBDPMFKSA-N 0 3 287.407 2.280 20 30 CEEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1c(C)noc1C ZINC001230714896 810551868 /nfs/dbraw/zinc/55/18/68/810551868.db2.gz MAVBEJPXBIRTHF-CQSZACIVSA-N 0 3 291.395 2.404 20 30 CEEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1C ZINC001273249516 810559344 /nfs/dbraw/zinc/55/93/44/810559344.db2.gz SPELGLGROIQNNB-XJKSGUPXSA-N 0 3 285.391 2.152 20 30 CEEDHN CCn1ccc(CN[C@@H](C)Cc2ccc(C#N)cc2)n1 ZINC001172294231 815384775 /nfs/dbraw/zinc/38/47/75/815384775.db2.gz GUVPDLTXTZBJOH-ZDUSSCGKSA-N 0 3 268.364 2.495 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2coc3ccc(CC)cc23)C1 ZINC001018854932 810659870 /nfs/dbraw/zinc/65/98/70/810659870.db2.gz PCMAMKPWZWWUQZ-AWEZNQCLSA-N 0 3 296.370 2.433 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cccc(C(F)F)c2F)C1 ZINC001018855989 810661041 /nfs/dbraw/zinc/66/10/41/810661041.db2.gz JSUXQFKYTYJAGJ-JTQLQIEISA-N 0 3 296.292 2.201 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(CCC)s2)C1 ZINC001018918419 810663786 /nfs/dbraw/zinc/66/37/86/810663786.db2.gz AVZIUVOZUGSAJD-LBPRGKRZSA-N 0 3 276.405 2.138 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](NCc2cncs2)C1 ZINC001019331901 810701407 /nfs/dbraw/zinc/70/14/07/810701407.db2.gz FXWIPPDNURUUBS-WFASDCNBSA-N 0 3 293.436 2.436 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001019469753 810712928 /nfs/dbraw/zinc/71/29/28/810712928.db2.gz MFMIXWIALAHPIX-ZQIUZPCESA-N 0 3 276.424 2.273 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccoc2CC)C1 ZINC001020116682 810769587 /nfs/dbraw/zinc/76/95/87/810769587.db2.gz PSQBJKSCUQPJTQ-XYPYZODXSA-N 0 3 282.771 2.445 20 30 CEEDHN N#CCCc1ccc(NC(=O)[C@@H](N)CC2CC2)cc1 ZINC001122255987 815397206 /nfs/dbraw/zinc/39/72/06/815397206.db2.gz YMNJRNUMYCVNHE-AWEZNQCLSA-N 0 3 257.337 2.209 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c[nH]nc2C(C)C)C1 ZINC001020342624 810792414 /nfs/dbraw/zinc/79/24/14/810792414.db2.gz LYDDZJKQARYDRF-XYPYZODXSA-N 0 3 296.802 2.136 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C)sn1 ZINC001038203041 810807244 /nfs/dbraw/zinc/80/72/44/810807244.db2.gz DBZZGOFGSBSKEX-LBPRGKRZSA-N 0 3 279.409 2.222 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cncc(C)c1 ZINC001085528924 810809307 /nfs/dbraw/zinc/80/93/07/810809307.db2.gz KINVWAHSMDJBQL-HNNXBMFYSA-N 0 3 273.380 2.112 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001038258269 810815225 /nfs/dbraw/zinc/81/52/25/810815225.db2.gz POFFKBSBGMURDL-PMPSAXMXSA-N 0 3 294.439 2.204 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCCC12CCCCC2 ZINC001122284819 815400203 /nfs/dbraw/zinc/40/02/03/815400203.db2.gz NGOIZTAKRGRSJW-ZDUSSCGKSA-N 0 3 263.385 2.333 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1nccc2cccnc21 ZINC001038355890 810828443 /nfs/dbraw/zinc/82/84/43/810828443.db2.gz DLINZTQROONHNJ-AWEZNQCLSA-N 0 3 296.374 2.010 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnc2[nH]ccc2c1 ZINC001038383288 810829662 /nfs/dbraw/zinc/82/96/62/810829662.db2.gz GWXYUGZLCUTXSO-HNNXBMFYSA-N 0 3 298.390 2.285 20 30 CEEDHN CCCCCCC[C@@H](CC)N1CCN(CC(N)=O)CC1 ZINC001172356537 815401377 /nfs/dbraw/zinc/40/13/77/815401377.db2.gz WQVYQOIMZYDAKO-OAHLLOKOSA-N 0 3 283.460 2.228 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)nc(C)c1 ZINC001085619401 810852694 /nfs/dbraw/zinc/85/26/94/810852694.db2.gz NYACWILENXACJM-MRXNPFEDSA-N 0 3 287.407 2.421 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccnn1C(F)F ZINC001085616284 810854130 /nfs/dbraw/zinc/85/41/30/810854130.db2.gz JEDUPZPKPSAMCY-LLVKDONJSA-N 0 3 298.337 2.001 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc(CC)n1 ZINC001085644491 810864673 /nfs/dbraw/zinc/86/46/73/810864673.db2.gz OUPFUZAGYDGPMF-HNNXBMFYSA-N 0 3 287.407 2.366 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(CCC)n[nH]1 ZINC001038577429 810866896 /nfs/dbraw/zinc/86/68/96/810866896.db2.gz YTIKBNMRDMGWTA-CQSZACIVSA-N 0 3 290.411 2.133 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cncc(CC)c1 ZINC001085722743 810891839 /nfs/dbraw/zinc/89/18/39/810891839.db2.gz GKWRYHQXVQJFOV-INIZCTEOSA-N 0 3 287.407 2.366 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ocnc1CC ZINC001085808596 810925172 /nfs/dbraw/zinc/92/51/72/810925172.db2.gz IMMUMMSABNKXKL-CYBMUJFWSA-N 0 3 291.395 2.350 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnoc1CC ZINC001085851035 810942336 /nfs/dbraw/zinc/94/23/36/810942336.db2.gz LTAJGUQHKCKZJB-ZDUSSCGKSA-N 0 3 291.395 2.350 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c[nH]c2cccnc12 ZINC001038919598 810946378 /nfs/dbraw/zinc/94/63/78/810946378.db2.gz FUYCKEGVYOPZAW-CYBMUJFWSA-N 0 3 298.390 2.333 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCN2CC2CCCC2)cn1 ZINC001038928419 810948543 /nfs/dbraw/zinc/94/85/43/810948543.db2.gz QHNSZELVTANEJE-KRWDZBQOSA-N 0 3 297.402 2.057 20 30 CEEDHN CCOCC[C@H](C)NC(=N)c1ccc(Cl)cn1 ZINC001172410260 815410221 /nfs/dbraw/zinc/41/02/21/815410221.db2.gz DVPAZPURFYDHLQ-VIFPVBQESA-N 0 3 255.749 2.255 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cccc(OC)c1 ZINC001038955003 810956123 /nfs/dbraw/zinc/95/61/23/810956123.db2.gz HMNFVGJEZQFYCA-HNNXBMFYSA-N 0 3 288.391 2.466 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1[nH]nc2ccccc21 ZINC001038978670 810962690 /nfs/dbraw/zinc/96/26/90/810962690.db2.gz GMIJHNNBUSMIBC-CYBMUJFWSA-N 0 3 298.390 2.333 20 30 CEEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2cc[nH]c2)C1 ZINC001039201532 810999528 /nfs/dbraw/zinc/99/95/28/810999528.db2.gz DBWLRWAJLVGBRD-IRXDYDNUSA-N 0 3 299.418 2.355 20 30 CEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CC(C)(F)F)C1 ZINC001039231568 811001637 /nfs/dbraw/zinc/00/16/37/811001637.db2.gz SCJQPBOWLOWHNF-ZIAGYGMSSA-N 0 3 298.377 2.368 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCOC1 ZINC001039349666 811013781 /nfs/dbraw/zinc/01/37/81/811013781.db2.gz IKXQBFDGILTCFR-XHSDSOJGSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncs1 ZINC001039343889 811014150 /nfs/dbraw/zinc/01/41/50/811014150.db2.gz MNSFJAZEIKSFMC-OLZOCXBDSA-N 0 3 291.420 2.398 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)(F)F ZINC001039437257 811029971 /nfs/dbraw/zinc/02/99/71/811029971.db2.gz YJKVPIXJYBTZKU-MJBXVCDLSA-N 0 3 298.377 2.366 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H](C2CCCC2)C1 ZINC001122505142 815419596 /nfs/dbraw/zinc/41/95/96/815419596.db2.gz XHYADKWGYFOECU-HUUCEWRRSA-N 0 3 277.412 2.436 20 30 CEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3ccco3)C2)C1 ZINC001040043386 811080892 /nfs/dbraw/zinc/08/08/92/811080892.db2.gz JOGOFMQZLVUCBB-MRXNPFEDSA-N 0 3 274.364 2.394 20 30 CEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3ccoc3)C2)C1 ZINC001040062523 811081556 /nfs/dbraw/zinc/08/15/56/811081556.db2.gz DCNVMXHFEPBDGH-MRXNPFEDSA-N 0 3 274.364 2.394 20 30 CEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](C)SC)C2)C1 ZINC001040075717 811083483 /nfs/dbraw/zinc/08/34/83/811083483.db2.gz ZFDDHLGNXFOHRM-GDBMZVCRSA-N 0 3 294.464 2.076 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)[C@]3(C)C=CCC3)C2)CC1 ZINC001040809301 811126528 /nfs/dbraw/zinc/12/65/28/811126528.db2.gz WWIJCLOXLXQWIM-QGZVFWFLSA-N 0 3 286.419 2.290 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2csc(C)n2)C1 ZINC001086456694 811148767 /nfs/dbraw/zinc/14/87/67/811148767.db2.gz RPEPIRDKIZBPBW-XYPYZODXSA-N 0 3 299.827 2.302 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C(F)=C(C)C)C2)C1 ZINC001041196694 811150296 /nfs/dbraw/zinc/15/02/96/811150296.db2.gz TXCSIHSOKPJLCQ-MRXNPFEDSA-N 0 3 278.371 2.198 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)C(C)=C3CCC3)C2)C1 ZINC001041273224 811158553 /nfs/dbraw/zinc/15/85/53/811158553.db2.gz MSOLDDHJNNROFB-KRWDZBQOSA-N 0 3 272.392 2.044 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC001041646518 811182256 /nfs/dbraw/zinc/18/22/56/811182256.db2.gz RTVSCMRFKRTCOU-INIZCTEOSA-N 0 3 274.408 2.124 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C(C)(C)C(F)F)C2)C1 ZINC001041653177 811183911 /nfs/dbraw/zinc/18/39/11/811183911.db2.gz PVRPDFLBFVRBDK-MRXNPFEDSA-N 0 3 298.377 2.225 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C3(CF)CCC3)C2)C1 ZINC001041696913 811186379 /nfs/dbraw/zinc/18/63/79/811186379.db2.gz ZCKOHBBTLFMDDU-MRXNPFEDSA-N 0 3 292.398 2.074 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)C3CCC=CCC3)C2)C1 ZINC001041835219 811194153 /nfs/dbraw/zinc/19/41/53/811194153.db2.gz CIYFDKDZQIBVLC-GOSISDBHSA-N 0 3 286.419 2.290 20 30 CEEDHN CC(=O)N1CC[C@@H]2CCN(Cc3ccc(C#N)cc3)[C@H]2C1 ZINC001041865659 811200886 /nfs/dbraw/zinc/20/08/86/811200886.db2.gz BJEQABQGRWTDST-SJORKVTESA-N 0 3 283.375 2.001 20 30 CEEDHN C#CCCN1CC[C@@H]2CCN(C(=O)c3cccs3)C[C@@H]21 ZINC001041911461 811213577 /nfs/dbraw/zinc/21/35/77/811213577.db2.gz AWZBGNFYGLOOHF-KGLIPLIRSA-N 0 3 288.416 2.308 20 30 CEEDHN C#CCCN1CC[C@H]2CCN(C(=O)c3cccs3)C[C@@H]21 ZINC001041911460 811214916 /nfs/dbraw/zinc/21/49/16/811214916.db2.gz AWZBGNFYGLOOHF-KBPBESRZSA-N 0 3 288.416 2.308 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CC3CCC3)C[C@@H]21 ZINC001041998740 811230505 /nfs/dbraw/zinc/23/05/05/811230505.db2.gz XVZMTUJRGLDFIR-CVEARBPZSA-N 0 3 274.408 2.123 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccc(CC)n3)C[C@@H]21 ZINC001042096965 811245515 /nfs/dbraw/zinc/24/55/15/811245515.db2.gz DMPGRKSMLOJDRY-YOEHRIQHSA-N 0 3 299.418 2.366 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cccnc3C)C[C@H]21 ZINC001042206910 811256027 /nfs/dbraw/zinc/25/60/27/811256027.db2.gz NRFCNMZXLWUCHF-GDBMZVCRSA-N 0 3 285.391 2.112 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccn(C)c3C)C[C@H]21 ZINC001042224765 811259143 /nfs/dbraw/zinc/25/91/43/811259143.db2.gz QSYDGORLQVRRPA-GDBMZVCRSA-N 0 3 287.407 2.056 20 30 CEEDHN N#CC(C(=O)Cc1cccc2ccccc21)C(=O)NC1CC1 ZINC001122708089 815437802 /nfs/dbraw/zinc/43/78/02/815437802.db2.gz RQCMWVHZOWKLMR-MRXNPFEDSA-N 0 3 292.338 2.370 20 30 CEEDHN N#Cc1ccc2c(c1)CN([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169012557 811334955 /nfs/dbraw/zinc/33/49/55/811334955.db2.gz RDFBHEBOTFUURJ-BBRMVZONSA-N 0 3 285.347 2.362 20 30 CEEDHN C[C@@H](CCCC#N)N1CC[C@](O)(C(F)(F)F)C1 ZINC001172493821 815452481 /nfs/dbraw/zinc/45/24/81/815452481.db2.gz OFFMAACNVNBGTJ-VHSXEESVSA-N 0 3 250.264 2.068 20 30 CEEDHN COc1cccc(N2CCN([C@@H](C)CCCC#N)CC2)n1 ZINC001172497778 815454268 /nfs/dbraw/zinc/45/42/68/815454268.db2.gz FSXSZQNQNMHXJE-AWEZNQCLSA-N 0 3 288.395 2.295 20 30 CEEDHN Cc1ccnc(C#N)c1N1CCCc2ccc(CN)nc21 ZINC001169591317 811579191 /nfs/dbraw/zinc/57/91/91/811579191.db2.gz GHVPQJZPRGFRSH-UHFFFAOYSA-N 0 3 279.347 2.200 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2ncccc2C)CC1 ZINC001045400117 811606962 /nfs/dbraw/zinc/60/69/62/811606962.db2.gz OKRQCDTYZLGTBC-UHFFFAOYSA-N 0 3 273.380 2.160 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cccc(CC)n2)CC1 ZINC001045463288 811614108 /nfs/dbraw/zinc/61/41/08/811614108.db2.gz TUFPOFYJOQZZFB-UHFFFAOYSA-N 0 3 287.407 2.414 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cc(Cl)cn2C)CC1 ZINC001045498228 811616193 /nfs/dbraw/zinc/61/61/93/811616193.db2.gz IJVRAFUOOKTFGM-UHFFFAOYSA-N 0 3 295.814 2.449 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2ccc3cccnn32)CC1 ZINC001045583086 811628499 /nfs/dbraw/zinc/62/84/99/811628499.db2.gz UOTJJYRRONCCCN-UHFFFAOYSA-N 0 3 298.390 2.105 20 30 CEEDHN C=CCCC(=O)N[C@H](C)CCCCNCc1cnns1 ZINC001169705352 811633594 /nfs/dbraw/zinc/63/35/94/811633594.db2.gz JRVFGVMJVIFIOV-GFCCVEGCSA-N 0 3 296.440 2.269 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cscc2C)C1 ZINC001046214336 811709869 /nfs/dbraw/zinc/70/98/69/811709869.db2.gz PQFZQDMCHIVZFK-OAHLLOKOSA-N 0 3 276.405 2.274 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001046329462 811735527 /nfs/dbraw/zinc/73/55/27/811735527.db2.gz PQHQAUZLMNETRJ-LZLYRXPVSA-N 0 3 299.418 2.342 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2CCC2(F)F)C1 ZINC001046408678 811750407 /nfs/dbraw/zinc/75/04/07/811750407.db2.gz LTMXWYOWFRIWCH-YPMHNXCESA-N 0 3 272.339 2.188 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H]2CCCC23CC3)C1 ZINC001046417259 811753737 /nfs/dbraw/zinc/75/37/37/811753737.db2.gz JMIBEXPQKRJDFQ-UKRRQHHQSA-N 0 3 262.397 2.333 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cc[nH]c2CCC)C1 ZINC001046563206 811775134 /nfs/dbraw/zinc/77/51/34/811775134.db2.gz KEEWTZFFPAUJBQ-QGZVFWFLSA-N 0 3 287.407 2.185 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C\c1ccco1)C2 ZINC001108880712 811786063 /nfs/dbraw/zinc/78/60/63/811786063.db2.gz KLFJFTBRDDDFAG-BCHIAPFCSA-N 0 3 284.359 2.038 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001046686637 811800275 /nfs/dbraw/zinc/80/02/75/811800275.db2.gz GBJKGWXERQHARC-SQWLQELKSA-N 0 3 262.397 2.189 20 30 CEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1=CCCCC1 ZINC001109079963 811820461 /nfs/dbraw/zinc/82/04/61/811820461.db2.gz GWONJMKLCUWGGK-OJLVUWQFSA-N 0 3 287.407 2.368 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001046812398 811822754 /nfs/dbraw/zinc/82/27/54/811822754.db2.gz XDFSRTLEUUCSOC-SFHVURJKSA-N 0 3 297.402 2.177 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)c2cc(C)n(C)c2C)C1 ZINC001046821817 811825563 /nfs/dbraw/zinc/82/55/63/811825563.db2.gz DJVGBYBLHNNPHD-MRXNPFEDSA-N 0 3 275.396 2.022 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC ZINC001109329125 811860786 /nfs/dbraw/zinc/86/07/86/811860786.db2.gz NGKPMVXJMHBMBB-ILXRZTDVSA-N 0 3 262.397 2.496 20 30 CEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)COC ZINC001109343355 811862751 /nfs/dbraw/zinc/86/27/51/811862751.db2.gz VISNTABAAYYHCQ-XGUBFFRZSA-N 0 3 294.439 2.345 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CCF)C3)C1 ZINC001047143991 811864153 /nfs/dbraw/zinc/86/41/53/811864153.db2.gz WFMPLIAXMKZYCG-MJBXVCDLSA-N 0 3 280.387 2.281 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(C)c1)C2 ZINC001096170481 811872174 /nfs/dbraw/zinc/87/21/74/811872174.db2.gz BCQOHVNHBXCNRJ-ILXRZTDVSA-N 0 3 288.416 2.415 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC=C)CCC1)C2 ZINC001109683464 811926000 /nfs/dbraw/zinc/92/60/00/811926000.db2.gz MNSIGCVKLWOMIO-PMPSAXMXSA-N 0 3 286.419 2.478 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccc(C)cc3C)C[C@@H]2C1 ZINC001049198372 812085271 /nfs/dbraw/zinc/08/52/71/812085271.db2.gz NHUBTRGVCAOHIE-CALCHBBNSA-N 0 3 296.414 2.331 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC1CC1 ZINC001049385242 812135694 /nfs/dbraw/zinc/13/56/94/812135694.db2.gz AJMBQXWZQCEZNC-JKSUJKDBSA-N 0 3 274.408 2.265 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CCC1 ZINC001049396243 812136402 /nfs/dbraw/zinc/13/64/02/812136402.db2.gz JTONBKSYKYDQRB-HZPDHXFCSA-N 0 3 274.408 2.265 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccncc1F ZINC001049399838 812138123 /nfs/dbraw/zinc/13/81/23/812138123.db2.gz ZJNQMNJLSVBHOA-HUUCEWRRSA-N 0 3 289.354 2.086 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC(C)C1 ZINC001049406386 812140723 /nfs/dbraw/zinc/14/07/23/812140723.db2.gz NPUMAAHTLBTEDS-WUCCLRPBSA-N 0 3 262.397 2.284 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cncc(F)c1 ZINC001049419977 812143802 /nfs/dbraw/zinc/14/38/02/812143802.db2.gz QIACGBBICNKFFG-LSDHHAIUSA-N 0 3 289.354 2.086 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1csnc1C ZINC001049430363 812145243 /nfs/dbraw/zinc/14/52/43/812145243.db2.gz ARXKTEYBWWHUBV-UONOGXRCSA-N 0 3 291.420 2.316 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC1(F)F ZINC001049546696 812164070 /nfs/dbraw/zinc/16/40/70/812164070.db2.gz RSSAKKXEHXTPPB-MGPQQGTHSA-N 0 3 296.361 2.120 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(C)CCC1 ZINC001049645683 812180141 /nfs/dbraw/zinc/18/01/41/812180141.db2.gz MYTHRDUQVACIRP-KGLIPLIRSA-N 0 3 262.397 2.428 20 30 CEEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCc1ccccc1 ZINC001049858857 812221163 /nfs/dbraw/zinc/22/11/63/812221163.db2.gz QRRITRVPJYAHMX-MSOLQXFVSA-N 0 3 296.414 2.318 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH]cc1C ZINC001049889684 812225317 /nfs/dbraw/zinc/22/53/17/812225317.db2.gz IHJPMYFDSNUMHQ-LSDHHAIUSA-N 0 3 273.380 2.188 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccn1CC ZINC001049893555 812226463 /nfs/dbraw/zinc/22/64/63/812226463.db2.gz CYSGLMOCIRKHFC-CABCVRRESA-N 0 3 287.407 2.373 20 30 CEEDHN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)C1CC1 ZINC001049923588 812231124 /nfs/dbraw/zinc/23/11/24/812231124.db2.gz 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/nfs/dbraw/zinc/47/57/68/812475768.db2.gz BXQAGQQUQBUOHX-OAHLLOKOSA-N 0 3 287.407 2.287 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2cc3ccccc3[nH]2)CC1 ZINC001052922612 812476240 /nfs/dbraw/zinc/47/62/40/812476240.db2.gz PZAUYLGHRUWHSW-HNNXBMFYSA-N 0 3 295.386 2.385 20 30 CEEDHN CC#CCNCCNC(=O)CC(C)(C)c1ccc(F)cc1 ZINC001129509060 812497572 /nfs/dbraw/zinc/49/75/72/812497572.db2.gz MFTCEFJSWYMSEH-UHFFFAOYSA-N 0 3 290.382 2.223 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC=CCC1)C2 ZINC001054084458 812531440 /nfs/dbraw/zinc/53/14/40/812531440.db2.gz XKFFOLRUFUUVLT-AEFFLSMTSA-N 0 3 286.419 2.290 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1[nH]ccc1C)C2 ZINC001054125211 812543542 /nfs/dbraw/zinc/54/35/42/812543542.db2.gz IXMYJIUEGXZUNI-SFHVURJKSA-N 0 3 299.418 2.275 20 30 CEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](F)CC)C2 ZINC001054177405 812546103 /nfs/dbraw/zinc/54/61/03/812546103.db2.gz LKMKCHZFESKIHK-GDBMZVCRSA-N 0 3 280.387 2.072 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC13CC3)C2 ZINC001054204131 812549283 /nfs/dbraw/zinc/54/92/83/812549283.db2.gz NXXMNKDQRWPLSM-RDJZCZTQSA-N 0 3 286.419 2.124 20 30 CEEDHN CC#CCNCCNC(=O)CCc1ccc(C(C)C)cc1 ZINC001131247251 812653308 /nfs/dbraw/zinc/65/33/08/812653308.db2.gz COIZTGDPFQXSJU-UHFFFAOYSA-N 0 3 286.419 2.472 20 30 CEEDHN C[C@@H](CC(F)F)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001131450511 812672177 /nfs/dbraw/zinc/67/21/77/812672177.db2.gz YNSCKPXHGLPRBV-NSHDSACASA-N 0 3 295.333 2.055 20 30 CEEDHN CC1(CC(=O)NCCNCc2ccc(C#N)c(F)c2)CC1 ZINC001131475713 812674303 /nfs/dbraw/zinc/67/43/03/812674303.db2.gz WYONUHJOLIYHGW-UHFFFAOYSA-N 0 3 289.354 2.093 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cccnc2)C1 ZINC001054977229 812675500 /nfs/dbraw/zinc/67/55/00/812675500.db2.gz WDYGERIRFDXUAS-UKRRQHHQSA-N 0 3 287.407 2.230 20 30 CEEDHN C=CCN(CC=C)Cc1ccc(-n2ccnn2)cc1 ZINC001137366755 812716858 /nfs/dbraw/zinc/71/68/58/812716858.db2.gz OCLHTBWRXMQQBK-UHFFFAOYSA-N 0 3 254.337 2.441 20 30 CEEDHN CC[C@H](CC#N)NCC[C@H]1COc2ccccc2O1 ZINC001255162959 812721659 /nfs/dbraw/zinc/72/16/59/812721659.db2.gz AKAQRVYOQATYHB-OLZOCXBDSA-N 0 3 260.337 2.498 20 30 CEEDHN C=CCCC(=O)N[C@@H]1CC[C@H](C)N(CC(=C)C)C1 ZINC001131894957 812750096 /nfs/dbraw/zinc/75/00/96/812750096.db2.gz DOHIRCQHQNONLE-UONOGXRCSA-N 0 3 250.386 2.498 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)/C=C/C2CC2)CC[C@@H]1C ZINC001131931891 812755863 /nfs/dbraw/zinc/75/58/63/812755863.db2.gz ZCDGJAQUXWGJBO-LRGSNQRWSA-N 0 3 262.397 2.498 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3coc(C)c3)[C@@H]2C1 ZINC001050031032 812774605 /nfs/dbraw/zinc/77/46/05/812774605.db2.gz NIQIZKCTXPRKHG-DZGCQCFKSA-N 0 3 274.364 2.310 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)CCCF)CC[C@H]1C ZINC001132222145 812803390 /nfs/dbraw/zinc/80/33/90/812803390.db2.gz UKIZVNZAMZJDRV-CHWSQXEVSA-N 0 3 256.365 2.281 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)CCCC#CC)CC[C@@H]1C ZINC001132235749 812809572 /nfs/dbraw/zinc/80/95/72/812809572.db2.gz SWNYAMGFYWYVSQ-GJZGRUSLSA-N 0 3 262.397 2.335 20 30 CEEDHN C=CCCCC(=O)N[C@H]1CC[C@@H](C)N(CCOCC)C1 ZINC001132249844 812810521 /nfs/dbraw/zinc/81/05/21/812810521.db2.gz TWKWOFNLSOTNIO-CABCVRRESA-N 0 3 282.428 2.348 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2(CF)CCC2)CC[C@H]1C ZINC001132314142 812829420 /nfs/dbraw/zinc/82/94/20/812829420.db2.gz IBPJVXCRZWHLMC-ZIAGYGMSSA-N 0 3 280.387 2.119 20 30 CEEDHN C=CCOCCN1C[C@@H](NC(=O)C(C)(C)C)CC[C@@H]1C ZINC001132433591 812850399 /nfs/dbraw/zinc/85/03/99/812850399.db2.gz OUWFMDFUYPKUHE-KBPBESRZSA-N 0 3 282.428 2.204 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CC34CCC4)C2)CC1 ZINC001050682085 812851294 /nfs/dbraw/zinc/85/12/94/812851294.db2.gz ANAJZCRSUGYAPQ-OAHLLOKOSA-N 0 3 286.419 2.124 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)c3ccc(C)c(C)c3)C2)CC1 ZINC001050745613 812858415 /nfs/dbraw/zinc/85/84/15/812858415.db2.gz ZQNNALYGCIBNIO-UHFFFAOYSA-N 0 3 296.414 2.475 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172984099 815561585 /nfs/dbraw/zinc/56/15/85/815561585.db2.gz ISUKWPHMLNQVDD-OLZOCXBDSA-N 0 3 279.384 2.396 20 30 CEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1ccc(F)cc1 ZINC001132565317 812892698 /nfs/dbraw/zinc/89/26/98/812892698.db2.gz TUYDCGCVFPVJGS-QWHCGFSZSA-N 0 3 278.371 2.490 20 30 CEEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001132568760 812892751 /nfs/dbraw/zinc/89/27/51/812892751.db2.gz DGOFDBAZWGNNLL-NEPJUHHUSA-N 0 3 291.420 2.284 20 30 CEEDHN CC1(C)CC[C@@H]1C(=O)NCCNCc1cccc(C#N)c1 ZINC001132631989 812912460 /nfs/dbraw/zinc/91/24/60/812912460.db2.gz JYQZOFFCVDNYAZ-OAHLLOKOSA-N 0 3 285.391 2.200 20 30 CEEDHN C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@@H]1C ZINC001132658414 812916825 /nfs/dbraw/zinc/91/68/25/812916825.db2.gz FNAWTGVPDXVTQZ-UONOGXRCSA-N 0 3 288.391 2.266 20 30 CEEDHN C=C[C@H](CC)CC(=O)NCCNCc1cncc(C)c1 ZINC001132667249 812922042 /nfs/dbraw/zinc/92/20/42/812922042.db2.gz ICRYIUCAEFKRQG-CQSZACIVSA-N 0 3 275.396 2.198 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H]1C[C@H]1c1ccccc1CC ZINC001132989626 812966158 /nfs/dbraw/zinc/96/61/58/812966158.db2.gz 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RATMLFFLBRDVEI-UHFFFAOYSA-N 0 3 270.361 2.168 20 30 CEEDHN C=CCn1cc(CN2CCC3(CCCO3)CC2)cn1 ZINC001139770133 816110107 /nfs/dbraw/zinc/11/01/07/816110107.db2.gz DROXANKPXJHADA-UHFFFAOYSA-N 0 3 261.369 2.214 20 30 CEEDHN C=CCn1cc(CN2CC[C@@]3(C2)CCCOC3)cn1 ZINC001139772917 816111613 /nfs/dbraw/zinc/11/16/13/816111613.db2.gz UCCJLMIIGIIAOM-OAHLLOKOSA-N 0 3 261.369 2.072 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)c1c(C)noc1C ZINC001139869702 816131522 /nfs/dbraw/zinc/13/15/22/816131522.db2.gz QFDXOXVCCLIQTE-LBPRGKRZSA-N 0 3 293.411 2.361 20 30 CEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cnccc3C)C2)C1=O ZINC001141033181 816453138 /nfs/dbraw/zinc/45/31/38/816453138.db2.gz DTTLYIKUCHHVMQ-GOSISDBHSA-N 0 3 299.418 2.391 20 30 CEEDHN Cc1ncn(C)c1NC(=O)C(C#N)Cc1cccs1 ZINC001177904913 816640563 /nfs/dbraw/zinc/64/05/63/816640563.db2.gz UDODWLHGDWOFAF-SNVBAGLBSA-N 0 3 274.349 2.111 20 30 CEEDHN Cn1cc2c(cccc2CN2CCC3SC(=O)C=C3C2)n1 ZINC001142448810 816668841 /nfs/dbraw/zinc/66/88/41/816668841.db2.gz KGGWRUADRNQXFV-OAHLLOKOSA-N 0 3 299.399 2.347 20 30 CEEDHN C=CCCC(=O)N1CC[C@H](NCc2cc(C)ns2)[C@@H]1C ZINC001178312350 816724649 /nfs/dbraw/zinc/72/46/49/816724649.db2.gz XYUYLLIKTLJGIM-JSGCOSHPSA-N 0 3 293.436 2.497 20 30 CEEDHN Cc1cc(Cl)ncc1NC(=O)[C@H](N)CCCC#N ZINC000691597781 816725025 /nfs/dbraw/zinc/72/50/25/816725025.db2.gz GKTMAQUBEMRCIJ-SECBINFHSA-N 0 3 266.732 2.003 20 30 CEEDHN CC(=O)NC1CCN(Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142912239 816754443 /nfs/dbraw/zinc/75/44/43/816754443.db2.gz ZFJWGCCUPLBWEO-UHFFFAOYSA-N 0 3 296.374 2.140 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000336213393 365528766 /nfs/dbraw/zinc/52/87/66/365528766.db2.gz LFTNVLXVCOZULG-YOEHRIQHSA-N 0 3 289.423 2.261 20 30 CEEDHN CN1CCCN(CC#Cc2ccccc2Cl)CC1 ZINC000336278491 365545331 /nfs/dbraw/zinc/54/53/31/365545331.db2.gz XDILHNARVLYSPG-UHFFFAOYSA-N 0 3 262.784 2.329 20 30 CEEDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)CC(C)(C)C#N)C1 ZINC000336429096 365575167 /nfs/dbraw/zinc/57/51/67/365575167.db2.gz GOZOKZQVEXVSQM-AWEZNQCLSA-N 0 3 285.391 2.446 20 30 CEEDHN C=C[C@H](C)NCc1cc(OC)c(OC)cc1OC ZINC000123192381 365635972 /nfs/dbraw/zinc/63/59/72/365635972.db2.gz PVMRYUDUWQNGQW-JTQLQIEISA-N 0 3 251.326 2.377 20 30 CEEDHN CN(C(=O)Nc1cccc2c1CCNC2)[C@@H]1CCC[C@H]1C#N ZINC000601566490 346851920 /nfs/dbraw/zinc/85/19/20/346851920.db2.gz NRZPSGJOIIDELU-BLLLJJGKSA-N 0 3 298.390 2.488 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2cc(C(C)C)nn2C)nc(C)n1 ZINC000080255372 344004714 /nfs/dbraw/zinc/00/47/14/344004714.db2.gz RPKPVLZGCLFUTP-LBPRGKRZSA-N 0 3 297.362 2.440 20 30 CEEDHN C[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1cccnc1 ZINC000037889109 361958880 /nfs/dbraw/zinc/95/88/80/361958880.db2.gz NHVXMMGTRNZSJF-MLGOLLRUSA-N 0 3 267.332 2.337 20 30 CEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC1(C)C ZINC000269735840 190545239 /nfs/dbraw/zinc/54/52/39/190545239.db2.gz XIHRPPIITRQJEQ-INIZCTEOSA-N 0 3 299.418 2.495 20 30 CEEDHN N#CC1(C(=O)NC[C@@H]2CCN2C2CCCC2)CC2(CC2)C1 ZINC000601683927 346877580 /nfs/dbraw/zinc/87/75/80/346877580.db2.gz ORYCNPLCRJQSSH-AWEZNQCLSA-N 0 3 287.407 2.203 20 30 CEEDHN C=CCOc1ccc(CN2CCC(NC(C)=O)CC2)cc1 ZINC000092669138 539232790 /nfs/dbraw/zinc/23/27/90/539232790.db2.gz SSCTXCZWKWUSOX-UHFFFAOYSA-N 0 3 288.391 2.352 20 30 CEEDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)CCN1C ZINC000127840143 187336536 /nfs/dbraw/zinc/33/65/36/187336536.db2.gz UFNCZTAKERHTTA-GXFFZTMASA-N 0 3 274.324 2.361 20 30 CEEDHN Cc1cccc(CN2CC[C@H](NC(=O)[C@H](C)CC#N)C2)c1 ZINC000601852309 346917057 /nfs/dbraw/zinc/91/70/57/346917057.db2.gz MRPBOTXUDUVNAI-ZBFHGGJFSA-N 0 3 285.391 2.235 20 30 CEEDHN CC(C)N1C[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1=O ZINC000329883144 539263951 /nfs/dbraw/zinc/26/39/51/539263951.db2.gz QTUFSVAQCRCEHE-ZIAGYGMSSA-N 0 3 295.427 2.217 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000126382630 187236158 /nfs/dbraw/zinc/23/61/58/187236158.db2.gz IBRVOCOHULAPMC-CABCVRRESA-N 0 3 299.418 2.075 20 30 CEEDHN CC[C@H](O)CCCNCc1ccc(C#N)c(F)c1 ZINC000403994315 529689308 /nfs/dbraw/zinc/68/93/08/529689308.db2.gz FQNNMYYSTVTZDS-ZDUSSCGKSA-N 0 3 250.317 2.338 20 30 CEEDHN Cc1ncc([C@H](C)NC[C@@H](O)CC2(C#N)CC2)s1 ZINC000601969386 346945893 /nfs/dbraw/zinc/94/58/93/346945893.db2.gz QPHUPJVCYSHTCF-ONGXEEELSA-N 0 3 265.382 2.157 20 30 CEEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000046342192 343498395 /nfs/dbraw/zinc/49/83/95/343498395.db2.gz CZLVLZMXLZABGF-OAHLLOKOSA-N 0 3 274.364 2.196 20 30 CEEDHN COCCN(CCC(=O)Nc1sccc1C#N)C1CC1 ZINC000052940307 343568532 /nfs/dbraw/zinc/56/85/32/343568532.db2.gz CWXLUTLWXXDFQT-UHFFFAOYSA-N 0 3 293.392 2.059 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)C2(C#N)CCCCC2)C1 ZINC000057388387 343629206 /nfs/dbraw/zinc/62/92/06/343629206.db2.gz BADXVNOXYQPSET-AWEZNQCLSA-N 0 3 277.412 2.309 20 30 CEEDHN CCCCN(C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000058889313 343649350 /nfs/dbraw/zinc/64/93/50/343649350.db2.gz YAWKQLRZKWLZBC-TZMCWYRMSA-N 0 3 253.390 2.161 20 30 CEEDHN N#Cc1c(F)cccc1CNC[C@@H]1CCC[C@@H](O)C1 ZINC000602010185 346957889 /nfs/dbraw/zinc/95/78/89/346957889.db2.gz FHHSJBJCYOESPE-DGCLKSJQSA-N 0 3 262.328 2.338 20 30 CEEDHN N#Cc1c(F)cccc1CNCCCn1ccnc1 ZINC000602000462 346954170 /nfs/dbraw/zinc/95/41/70/346954170.db2.gz ZLYADENPYLBXAX-UHFFFAOYSA-N 0 3 258.300 2.074 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000066338132 343711535 /nfs/dbraw/zinc/71/15/35/343711535.db2.gz MHIWYFRKDLCIMI-KBPBESRZSA-N 0 3 270.417 2.060 20 30 CEEDHN CN(CC(=O)N1CCC[C@H](CC#N)C1)CC(C)(C)C ZINC000602177052 346989392 /nfs/dbraw/zinc/98/93/92/346989392.db2.gz CKFRTXFJJWZBAG-CYBMUJFWSA-N 0 3 265.401 2.117 20 30 CEEDHN C#CCN1CCC[C@@H](C(=O)N(CCC)CC(F)(F)F)C1 ZINC000075926226 343872668 /nfs/dbraw/zinc/87/26/68/343872668.db2.gz RSCWLOKSWOIIDX-GFCCVEGCSA-N 0 3 290.329 2.133 20 30 CEEDHN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCCC#N ZINC000310018972 260205348 /nfs/dbraw/zinc/20/53/48/260205348.db2.gz QADAZABOVXHWNO-RYUDHWBXSA-N 0 3 267.373 2.135 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000602372958 347019604 /nfs/dbraw/zinc/01/96/04/347019604.db2.gz BDSWUFBROMDMOH-CQSZACIVSA-N 0 3 292.427 2.194 20 30 CEEDHN CC(C)(O)CCN1CCCN(c2ccccc2C#N)CC1 ZINC000081670982 344062104 /nfs/dbraw/zinc/06/21/04/344062104.db2.gz HBZYNCSWVNFRFG-UHFFFAOYSA-N 0 3 287.407 2.231 20 30 CEEDHN CCN1CCCN(C(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000091173570 344156265 /nfs/dbraw/zinc/15/62/65/344156265.db2.gz QYMFNXUSIVBPHL-UHFFFAOYSA-N 0 3 286.379 2.426 20 30 CEEDHN CO[C@]1(CN(Cc2ccc(C#N)cc2)C2CC2)CCOC1 ZINC000602442416 347034961 /nfs/dbraw/zinc/03/49/61/347034961.db2.gz YIKJQPMGLVLEQP-KRWDZBQOSA-N 0 3 286.375 2.328 20 30 CEEDHN Cc1noc(C2CCN(C[C@@H](C)CCC#N)CC2)n1 ZINC000602446226 347036571 /nfs/dbraw/zinc/03/65/71/347036571.db2.gz YYSDFHIKTXYODU-NSHDSACASA-N 0 3 262.357 2.497 20 30 CEEDHN CN(Cc1cnc2ccc(C#N)cn12)[C@@H](CO)C(C)(C)C ZINC000093821939 344230702 /nfs/dbraw/zinc/23/07/02/344230702.db2.gz GMEVMCVNIDLWAM-AWEZNQCLSA-N 0 3 286.379 2.045 20 30 CEEDHN C[C@@H](CCC#N)CN1CCC[C@H]1C(=O)NCc1ccco1 ZINC000602440949 347033312 /nfs/dbraw/zinc/03/33/12/347033312.db2.gz KEHOIYHHJYBFCF-ZFWWWQNUSA-N 0 3 289.379 2.300 20 30 CEEDHN CN(C)CCN(C)c1ccc2cc(C#N)ccc2n1 ZINC000092919061 344206699 /nfs/dbraw/zinc/20/66/99/344206699.db2.gz HYBQCDLJKZYLNK-UHFFFAOYSA-N 0 3 254.337 2.104 20 30 CEEDHN CCC(CC)CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000125023513 344318266 /nfs/dbraw/zinc/31/82/66/344318266.db2.gz NXSVTKVVRAOEEB-UHFFFAOYSA-N 0 3 294.420 2.358 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000121806385 344304197 /nfs/dbraw/zinc/30/41/97/344304197.db2.gz XNOUZBYIBXGCPJ-HNNXBMFYSA-N 0 3 283.375 2.081 20 30 CEEDHN N#Cc1cc(CN2CCN(c3ccncc3)CC2)ccc1F ZINC000151285591 344420264 /nfs/dbraw/zinc/42/02/64/344420264.db2.gz KBRLHALQBOTELS-UHFFFAOYSA-N 0 3 296.349 2.415 20 30 CEEDHN N#CC1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000146803506 344411026 /nfs/dbraw/zinc/41/10/26/344411026.db2.gz UUEFTNHJHVQWJS-KRWDZBQOSA-N 0 3 297.402 2.413 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(OCCCO)CC1 ZINC000154925075 344436510 /nfs/dbraw/zinc/43/65/10/344436510.db2.gz OIRGEKTZFPKNIC-CQSZACIVSA-N 0 3 288.391 2.483 20 30 CEEDHN C=CCN(C(=O)[C@@H]1CNCc2ccccc21)C1CC1 ZINC000165282763 344473855 /nfs/dbraw/zinc/47/38/55/344473855.db2.gz NJFLANJXQKHPPC-OAHLLOKOSA-N 0 3 256.349 2.050 20 30 CEEDHN CCN1CCN(Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000165481726 344474193 /nfs/dbraw/zinc/47/41/93/344474193.db2.gz MOBVITDYPQVPHM-AWEZNQCLSA-N 0 3 257.381 2.393 20 30 CEEDHN Cc1nsc(N[C@H]2CCN(C)[C@@H](C)C2)c1C#N ZINC000226897352 344551230 /nfs/dbraw/zinc/55/12/30/344551230.db2.gz IPLWSUHHRLYVOU-WPRPVWTQSA-N 0 3 250.371 2.218 20 30 CEEDHN C=CCNC(=O)CN(CC1CCCCC1)C1CC1 ZINC000052245025 362468945 /nfs/dbraw/zinc/46/89/45/362468945.db2.gz VWLKDMRSFSQZCC-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN Cc1ccccc1CNC[C@H](O)COc1ccccc1C#N ZINC000314818776 344746587 /nfs/dbraw/zinc/74/65/87/344746587.db2.gz YXVYCJKCABIGQL-KRWDZBQOSA-N 0 3 296.370 2.396 20 30 CEEDHN C[C@H](C[C@@H]1CCCC(=O)N1)NCc1ccc(C#N)cc1F ZINC000602537346 347070056 /nfs/dbraw/zinc/07/00/56/347070056.db2.gz DKYWQABVHCFIBH-RISCZKNCSA-N 0 3 289.354 2.234 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](CC)c1ccc(F)cc1 ZINC000294000389 344693360 /nfs/dbraw/zinc/69/33/60/344693360.db2.gz OTDJLVAQEVXAPU-MRXNPFEDSA-N 0 3 290.382 2.391 20 30 CEEDHN C[C@H](CN1CCC[C@H](C)C1)NCc1cccc(C#N)n1 ZINC000602523797 347066022 /nfs/dbraw/zinc/06/60/22/347066022.db2.gz IFEDQJLPQVSAAI-UONOGXRCSA-N 0 3 272.396 2.163 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCCC[C@H]1C(F)F ZINC000602559394 347076555 /nfs/dbraw/zinc/07/65/55/347076555.db2.gz HXPSLLJMLMMGJV-QWRGUYRKSA-N 0 3 273.327 2.044 20 30 CEEDHN Cc1cc(CNCCOc2ccc(C#N)cc2)sn1 ZINC000602558381 347076702 /nfs/dbraw/zinc/07/67/02/347076702.db2.gz POZYJVKTOMKQET-UHFFFAOYSA-N 0 3 273.361 2.492 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNCc1cccc(C#N)n1 ZINC000602564132 347079260 /nfs/dbraw/zinc/07/92/60/347079260.db2.gz LXPXRFKGDHRMGE-ZIAGYGMSSA-N 0 3 272.396 2.306 20 30 CEEDHN Cc1cc(O)cc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000602567865 347081842 /nfs/dbraw/zinc/08/18/42/347081842.db2.gz IRLDZPWNHWZZPR-ZDUSSCGKSA-N 0 3 261.325 2.050 20 30 CEEDHN CC(C)(C#N)CCCN1CCN(CCCF)CC1 ZINC000402146675 344871472 /nfs/dbraw/zinc/87/14/72/344871472.db2.gz MNNAQIBTSXBFKX-UHFFFAOYSA-N 0 3 255.381 2.294 20 30 CEEDHN CCN(CCOc1ccccc1C#N)[C@H]1CCCOC1 ZINC000402824599 344873800 /nfs/dbraw/zinc/87/38/00/344873800.db2.gz IWMXNSIPBURXEK-HNNXBMFYSA-N 0 3 274.364 2.438 20 30 CEEDHN CN1CCN(Cc2ccc(C#N)c(F)c2)CC1(C)C ZINC000404008424 344877717 /nfs/dbraw/zinc/87/77/17/344877717.db2.gz PBGCKMXQOJASBV-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000424062339 344896832 /nfs/dbraw/zinc/89/68/32/344896832.db2.gz GXHYFHFEEXXIFX-CABCVRRESA-N 0 3 271.364 2.275 20 30 CEEDHN C#C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccc(F)cc1 ZINC000491621055 344912893 /nfs/dbraw/zinc/91/28/93/344912893.db2.gz GLQVFYDKYRILIM-ZENOOKHLSA-N 0 3 288.366 2.489 20 30 CEEDHN C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CCS1 ZINC000127295229 187295068 /nfs/dbraw/zinc/29/50/68/187295068.db2.gz KAPBCARLYJPGIF-RISCZKNCSA-N 0 3 262.378 2.029 20 30 CEEDHN C#C[C@H](CC)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000491784922 344914294 /nfs/dbraw/zinc/91/42/94/344914294.db2.gz RKMSUPPRPZLJIW-BZUAXINKSA-N 0 3 285.391 2.143 20 30 CEEDHN C=CCn1cc(CN[C@@H]2CCCC[C@H]2[C@@H]2CCOC2)nn1 ZINC000584833430 344991387 /nfs/dbraw/zinc/99/13/87/344991387.db2.gz QVWIDVCHIZVNJL-VNQPRFMTSA-N 0 3 290.411 2.149 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc(F)c(C#N)c1 ZINC000586782820 345020751 /nfs/dbraw/zinc/02/07/51/345020751.db2.gz BYKNXODOVMECIT-CQSZACIVSA-N 0 3 289.354 2.302 20 30 CEEDHN N#Cc1ccc(CNCC2(CO)CC2)c(C(F)(F)F)c1 ZINC000589315480 345076518 /nfs/dbraw/zinc/07/65/18/345076518.db2.gz SJHUZXQRMVQZHH-UHFFFAOYSA-N 0 3 284.281 2.439 20 30 CEEDHN CN(C)CCn1cc(NCc2ccc(C#N)c(F)c2)cn1 ZINC000591503743 345261755 /nfs/dbraw/zinc/26/17/55/345261755.db2.gz SNCDPXZPLIWEGA-UHFFFAOYSA-N 0 3 287.342 2.068 20 30 CEEDHN CCN1C[C@H](C)[C@H](Nc2ncc3c(c2C#N)CCC3)C1 ZINC000591821682 345285233 /nfs/dbraw/zinc/28/52/33/345285233.db2.gz SOHBEZAVPDJKFK-XHDPSFHLSA-N 0 3 270.380 2.194 20 30 CEEDHN C=CCN1CCC(Nc2ncnc3c2CCC3)CC1 ZINC000592371555 345347075 /nfs/dbraw/zinc/34/70/75/345347075.db2.gz UYXHEBDXADPENS-UHFFFAOYSA-N 0 3 258.369 2.028 20 30 CEEDHN C[C@@H]1SCC[C@@H]1NCc1cnc2ccc(C#N)cn12 ZINC000592380927 345348223 /nfs/dbraw/zinc/34/82/23/345348223.db2.gz VGGXDWCRCOYHIE-GWCFXTLKSA-N 0 3 272.377 2.190 20 30 CEEDHN N#Cc1cnccc1CN1CCNC[C@@H]1c1cccc(F)c1 ZINC000592485311 345359308 /nfs/dbraw/zinc/35/93/08/345359308.db2.gz AIPYSBXKAGIJOK-QGZVFWFLSA-N 0 3 296.349 2.239 20 30 CEEDHN N#Cc1cnn2cc(CN3CC[C@@H](c4ccco4)C3)cnc12 ZINC000592501074 345360905 /nfs/dbraw/zinc/36/09/05/345360905.db2.gz LTEKVMPWKJMCRH-CYBMUJFWSA-N 0 3 293.330 2.183 20 30 CEEDHN N#Cc1cnn2cc(CN3CC[C@@H](C4CCC4)C3)cnc12 ZINC000592516644 345363988 /nfs/dbraw/zinc/36/39/88/345363988.db2.gz RXSYATMNYWOAPQ-CQSZACIVSA-N 0 3 281.363 2.223 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NC1(c2ccccc2Cl)CC1 ZINC000592568520 345370335 /nfs/dbraw/zinc/37/03/35/345370335.db2.gz UYSBUEYCVYNRQD-CYBMUJFWSA-N 0 3 291.782 2.466 20 30 CEEDHN N#CC[C@]1(O)CCN([C@@H]2CCCc3ccccc32)C1 ZINC000592151405 345330789 /nfs/dbraw/zinc/33/07/89/345330789.db2.gz OMPXDRNSYQRVQK-CVEARBPZSA-N 0 3 256.349 2.414 20 30 CEEDHN N#CC[C@@]1(O)CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000592153320 345331767 /nfs/dbraw/zinc/33/17/67/345331767.db2.gz LTNHLQLNPAOGMQ-HRCADAONSA-N 0 3 256.349 2.141 20 30 CEEDHN C[C@@H](CCN1CC[C@@](O)(CC#N)C1)OCc1ccccc1 ZINC000592153058 345331773 /nfs/dbraw/zinc/33/17/73/345331773.db2.gz INLWAEAZLLAYAU-RDJZCZTQSA-N 0 3 288.391 2.332 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1cccc2cccnc21 ZINC000592956393 345416921 /nfs/dbraw/zinc/41/69/21/345416921.db2.gz GAPHXQUDIPAVQO-LBPRGKRZSA-N 0 3 268.320 2.194 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000593011749 345423282 /nfs/dbraw/zinc/42/32/82/345423282.db2.gz VBLZBGQUZGNMGY-CHWSQXEVSA-N 0 3 273.384 2.096 20 30 CEEDHN N#Cc1ncccc1OCc1ccc2c(c1)CNCC2 ZINC000593013727 345423328 /nfs/dbraw/zinc/42/33/28/345423328.db2.gz TVNRTKMIATVMRN-UHFFFAOYSA-N 0 3 265.316 2.178 20 30 CEEDHN CN(CCN1CCCCC1)Cc1ccccc1C#N ZINC000593112803 345441835 /nfs/dbraw/zinc/44/18/35/345441835.db2.gz KMXITRHKHYZLKZ-UHFFFAOYSA-N 0 3 257.381 2.476 20 30 CEEDHN CCCN(C(=O)c1ccc(CC#N)cc1)[C@H]1CCN(C)C1 ZINC000592829331 345401086 /nfs/dbraw/zinc/40/10/86/345401086.db2.gz NXHDGEGWQCQDBY-INIZCTEOSA-N 0 3 285.391 2.309 20 30 CEEDHN CCC(C#N)C(=O)N=c1cc(C)n([C@H](C)C2CC2)[nH]1 ZINC000593596785 345510844 /nfs/dbraw/zinc/51/08/44/345510844.db2.gz TYLJIQCRMPJZDP-GHMZBOCLSA-N 0 3 260.341 2.073 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000593505321 345499990 /nfs/dbraw/zinc/49/99/90/345499990.db2.gz LQNNWTGXWNXTQV-OUCADQQQSA-N 0 3 288.347 2.203 20 30 CEEDHN Cc1ccnc(N(C)CCN2CCCCC2)c1C#N ZINC000593516181 345501905 /nfs/dbraw/zinc/50/19/05/345501905.db2.gz NIYDDHNSWJDOJA-UHFFFAOYSA-N 0 3 258.369 2.184 20 30 CEEDHN CC[C@@H](C#N)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000593419275 345481992 /nfs/dbraw/zinc/48/19/92/345481992.db2.gz DTYHUNOYYYRJOP-ZDUSSCGKSA-N 0 3 291.370 2.266 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCC1(C#N)CCCC1 ZINC000593427001 345483575 /nfs/dbraw/zinc/48/35/75/345483575.db2.gz LSVLFCYASJKEQZ-CQSZACIVSA-N 0 3 292.427 2.054 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC1(C#N)CCCC1 ZINC000593429321 345484262 /nfs/dbraw/zinc/48/42/62/345484262.db2.gz DPDHGWQASHTQRY-KBPBESRZSA-N 0 3 292.427 2.052 20 30 CEEDHN N#Cc1ccc(CN[C@H](CO)CCF)c(C(F)(F)F)c1 ZINC000593689625 345521198 /nfs/dbraw/zinc/52/11/98/345521198.db2.gz OKNSDYOISCHXAM-NSHDSACASA-N 0 3 290.260 2.387 20 30 CEEDHN CC[C@@H](C#N)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000593739542 345530390 /nfs/dbraw/zinc/53/03/90/345530390.db2.gz AGKVSXUQWBVGRA-ZDUSSCGKSA-N 0 3 289.379 2.424 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000593760912 345533903 /nfs/dbraw/zinc/53/39/03/345533903.db2.gz FNFRDEBARYJWAC-XHDPSFHLSA-N 0 3 260.312 2.475 20 30 CEEDHN CC[C@@H](OCCNC(=O)C(C)C#N)c1ccccc1 ZINC000593787274 345538467 /nfs/dbraw/zinc/53/84/67/345538467.db2.gz QMMOARMPMAUPIM-TZMCWYRMSA-N 0 3 260.337 2.430 20 30 CEEDHN CN(C)[C@@H](CNC(=O)CCCCC#N)c1ccccc1 ZINC000593944143 345554350 /nfs/dbraw/zinc/55/43/50/345554350.db2.gz SLFAIVVWPNCYHO-HNNXBMFYSA-N 0 3 273.380 2.489 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccncc3)C2)nc1 ZINC000593971678 345558060 /nfs/dbraw/zinc/55/80/60/345558060.db2.gz AZZLRFORFDZZEX-HNNXBMFYSA-N 0 3 278.359 2.413 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccncc3)C2)nc1 ZINC000593971679 345558223 /nfs/dbraw/zinc/55/82/23/345558223.db2.gz AZZLRFORFDZZEX-OAHLLOKOSA-N 0 3 278.359 2.413 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](C(=O)OC)c1ccc(F)c(C)c1 ZINC000593613651 345513182 /nfs/dbraw/zinc/51/31/82/345513182.db2.gz VIQZJAKCPQQVIP-GWCFXTLKSA-N 0 3 292.310 2.014 20 30 CEEDHN N#Cc1cccc(CC(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000594194923 345596029 /nfs/dbraw/zinc/59/60/29/345596029.db2.gz AOIHCWGFBFBDQE-IAGOWNOFSA-N 0 3 297.402 2.234 20 30 CEEDHN CC(C)(C#N)CC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594194968 345596181 /nfs/dbraw/zinc/59/61/81/345596181.db2.gz BSZVGNKVQZQCBE-CHWSQXEVSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CCCCC1 ZINC000594233357 345601668 /nfs/dbraw/zinc/60/16/68/345601668.db2.gz CULDZFQBLLKRTN-OAHLLOKOSA-N 0 3 299.418 2.339 20 30 CEEDHN C[C@H]1CN(C(=O)CCCCC#N)CCN(C2CC2)C1 ZINC000594365342 345617037 /nfs/dbraw/zinc/61/70/37/345617037.db2.gz IVPASXDRZWMKPC-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN Cc1[nH]cnc1CC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594404495 345622015 /nfs/dbraw/zinc/62/20/15/345622015.db2.gz YPHGUQSCHGTFDF-UHFFFAOYSA-N 0 3 294.358 2.328 20 30 CEEDHN CCOc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594424352 345625279 /nfs/dbraw/zinc/62/52/79/345625279.db2.gz BJHKYVNZRVLZFV-AWEZNQCLSA-N 0 3 275.352 2.435 20 30 CEEDHN Cc1cc([C@H]2CCCN2C(=O)[C@H](N)CCCCC#N)on1 ZINC000594424663 345625735 /nfs/dbraw/zinc/62/57/35/345625735.db2.gz HSOCAEHKNXZCCS-CHWSQXEVSA-N 0 3 290.367 2.058 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCC(C(F)(F)F)CC1 ZINC000594425810 345626010 /nfs/dbraw/zinc/62/60/10/345626010.db2.gz APSMXSLWALZDNR-NSHDSACASA-N 0 3 291.317 2.199 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1nc2c(s1)CCCC2 ZINC000594427390 345626511 /nfs/dbraw/zinc/62/65/11/345626511.db2.gz UDSBKFQCVNHTTI-SNVBAGLBSA-N 0 3 292.408 2.372 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000594428877 345627364 /nfs/dbraw/zinc/62/73/64/345627364.db2.gz PQFQIYHURSLIMY-HOTGVXAUSA-N 0 3 285.391 2.414 20 30 CEEDHN CN(C(=O)[C@@H](N)CCCCC#N)C1CCCCC1 ZINC000594427559 345627373 /nfs/dbraw/zinc/62/73/73/345627373.db2.gz VBSQWOGYVGHLJG-ZDUSSCGKSA-N 0 3 251.374 2.189 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N(C1CC1)C1CCCC1 ZINC000594428570 345627508 /nfs/dbraw/zinc/62/75/08/345627508.db2.gz MXBJXKBDFFHPQJ-CQSZACIVSA-N 0 3 263.385 2.331 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000594429900 345627924 /nfs/dbraw/zinc/62/79/24/345627924.db2.gz SKFFBAKGKQZMQH-LLVKDONJSA-N 0 3 285.269 2.454 20 30 CEEDHN Cc1ccccc1C[C@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000594429135 345627962 /nfs/dbraw/zinc/62/79/62/345627962.db2.gz QYHSEJFGPAZCRK-HOCLYGCPSA-N 0 3 287.407 2.454 20 30 CEEDHN C[C@@H](Cc1ccsc1)NC(=O)[C@H](N)CCCCC#N ZINC000594432036 345628558 /nfs/dbraw/zinc/62/85/58/345628558.db2.gz VULULWFITMLYMO-WCQYABFASA-N 0 3 279.409 2.207 20 30 CEEDHN C[C@@H]1CCC[C@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594431210 345628705 /nfs/dbraw/zinc/62/87/05/345628705.db2.gz JSAYFOFQVNNYAQ-HZSPNIEDSA-N 0 3 265.401 2.340 20 30 CEEDHN CN(C(=O)[C@@H](N)CCCCC#N)C1Cc2ccccc2C1 ZINC000594431176 345628790 /nfs/dbraw/zinc/62/87/90/345628790.db2.gz JELATUITDJPEES-INIZCTEOSA-N 0 3 285.391 2.023 20 30 CEEDHN CC(C)C1CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594434233 345629228 /nfs/dbraw/zinc/62/92/28/345629228.db2.gz YAEZZQIDPDBXMR-CQSZACIVSA-N 0 3 265.401 2.292 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCc1cc(F)ccc1F ZINC000594433527 345629285 /nfs/dbraw/zinc/62/92/85/345629285.db2.gz GHWTVUHBNNQTGA-CQSZACIVSA-N 0 3 295.333 2.035 20 30 CEEDHN C[C@]1(c2ccccc2)C[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594433044 345629393 /nfs/dbraw/zinc/62/93/93/345629393.db2.gz JXZVWOFFEMYZFQ-YQQAZPJKSA-N 0 3 285.391 2.244 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCCc2cccc(O)c21 ZINC000594435725 345630128 /nfs/dbraw/zinc/63/01/28/345630128.db2.gz JCHRCINSYZJLTQ-ZDUSSCGKSA-N 0 3 287.363 2.083 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC1(c2ccccc2)CC1 ZINC000594438547 345630586 /nfs/dbraw/zinc/63/05/86/345630586.db2.gz OLSYDCZASXXPJE-CQSZACIVSA-N 0 3 271.364 2.203 20 30 CEEDHN CCN(C(=O)[C@H](N)CCCCC#N)[C@@H](C)c1cccnc1 ZINC000594438897 345630768 /nfs/dbraw/zinc/63/07/68/345630768.db2.gz XXJZFPLBNLTEMO-DZGCQCFKSA-N 0 3 288.395 2.402 20 30 CEEDHN CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1nccs1 ZINC000594440100 345631591 /nfs/dbraw/zinc/63/15/91/345631591.db2.gz ZKWJGCOOMXCUGO-WDEREUQCSA-N 0 3 280.397 2.122 20 30 CEEDHN C[C@@H](CCC1CC1)NC(=O)[C@H](N)CCCCC#N ZINC000594443729 345632215 /nfs/dbraw/zinc/63/22/15/345632215.db2.gz SOLNYGLUWUNLKJ-WCQYABFASA-N 0 3 251.374 2.093 20 30 CEEDHN CC1CCC(CNC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594443612 345632238 /nfs/dbraw/zinc/63/22/38/345632238.db2.gz FOWIVCJTTIVUHV-JXQTWKCFSA-N 0 3 265.401 2.340 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594447018 345632486 /nfs/dbraw/zinc/63/24/86/345632486.db2.gz RRWATMPTIOSJOK-JHJVBQTASA-N 0 3 251.374 2.045 20 30 CEEDHN CCSCC[C@@H](C)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594446766 345632494 /nfs/dbraw/zinc/63/24/94/345632494.db2.gz XJBXDLCCYBSSBE-OLZOCXBDSA-N 0 3 285.457 2.388 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1scnc1C1CC1 ZINC000594447519 345632574 /nfs/dbraw/zinc/63/25/74/345632574.db2.gz YBGWKMOWEVYQGC-SNVBAGLBSA-N 0 3 278.381 2.370 20 30 CEEDHN CO[C@]1(C)C[C@H](N(C)C(=O)[C@@H](N)CCCCC#N)C1(C)C ZINC000594446233 345632918 /nfs/dbraw/zinc/63/29/18/345632918.db2.gz QJRABHKCXDCBIP-HEHGZKQESA-N 0 3 295.427 2.060 20 30 CEEDHN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594445290 345632927 /nfs/dbraw/zinc/63/29/27/345632927.db2.gz CQAYJTDOACZOHM-RWMBFGLXSA-N 0 3 283.441 2.188 20 30 CEEDHN CC(C)OC1CCC(NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594451724 345634534 /nfs/dbraw/zinc/63/45/34/345634534.db2.gz CBTQUKOPXALDGG-YMAMQOFZSA-N 0 3 295.427 2.250 20 30 CEEDHN N#Cc1ccc(N[C@H]2CCCN3CCCC[C@H]23)cn1 ZINC000594601835 345657464 /nfs/dbraw/zinc/65/74/64/345657464.db2.gz OVGRCEMKWHNTIY-LSDHHAIUSA-N 0 3 256.353 2.382 20 30 CEEDHN CCC(C)(C)N1CCN(c2cnccc2C#N)CC1 ZINC000594590416 345653122 /nfs/dbraw/zinc/65/31/22/345653122.db2.gz AAMXIIXBVAFGQT-UHFFFAOYSA-N 0 3 258.369 2.264 20 30 CEEDHN CCC(C)(C)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000594594005 345654032 /nfs/dbraw/zinc/65/40/32/345654032.db2.gz HMOKRPBRIDZDNG-UHFFFAOYSA-N 0 3 258.369 2.264 20 30 CEEDHN N#Cc1ccc(OC[C@@H](O)CN2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000594714335 345676775 /nfs/dbraw/zinc/67/67/75/345676775.db2.gz NBSXMSJRAMPUKU-ZOBUZTSGSA-N 0 3 286.375 2.172 20 30 CEEDHN C[C@](O)(CNCCc1ccc(C#N)cc1)C(F)(F)F ZINC000594717579 345677767 /nfs/dbraw/zinc/67/77/67/345677767.db2.gz CFKRJLXGOUOTRA-LBPRGKRZSA-N 0 3 272.270 2.004 20 30 CEEDHN CN1CCN(c2ccncc2NC2CCC(C#N)CC2)CC1 ZINC000602579817 347087011 /nfs/dbraw/zinc/08/70/11/347087011.db2.gz HOIJOIDSKKYMQD-UHFFFAOYSA-N 0 3 299.422 2.328 20 30 CEEDHN COc1ccc(N2C[C@H](N[C@@H]3CC[C@@H](C#N)C3)CC2=O)cc1 ZINC000595077951 345740017 /nfs/dbraw/zinc/74/00/17/345740017.db2.gz LPQBWWPYBKGIDM-MGPQQGTHSA-N 0 3 299.374 2.082 20 30 CEEDHN COC[C@H](NCC1(C#N)CCCCC1)C1CCOCC1 ZINC000595090207 345740823 /nfs/dbraw/zinc/74/08/23/345740823.db2.gz FTKYXRBELPYNOQ-HNNXBMFYSA-N 0 3 280.412 2.492 20 30 CEEDHN C[C@@H]1CN(CCCCC#N)CCN1CCCCC#N ZINC000060332685 362659156 /nfs/dbraw/zinc/65/91/56/362659156.db2.gz USXWVBFTSCZWIL-OAHLLOKOSA-N 0 3 262.401 2.380 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N(C(=O)[C@H](N)CCCCC#N)C1 ZINC000595258180 345750285 /nfs/dbraw/zinc/75/02/85/345750285.db2.gz RRYNFWNLGPZNTO-MGPQQGTHSA-N 0 3 265.401 2.435 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N(C(=O)[C@H](N)CCCC#N)C1 ZINC000595257604 345750304 /nfs/dbraw/zinc/75/03/04/345750304.db2.gz MIWGBXLZMYALOW-JHJVBQTASA-N 0 3 251.374 2.045 20 30 CEEDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000594928854 345705448 /nfs/dbraw/zinc/70/54/48/345705448.db2.gz HLECOJBAFVJCGT-BAESOJJISA-N 0 3 272.348 2.406 20 30 CEEDHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000594928857 345705539 /nfs/dbraw/zinc/70/55/39/345705539.db2.gz HLECOJBAFVJCGT-YIKOMLBNSA-N 0 3 272.348 2.406 20 30 CEEDHN CCN(C)C(=O)[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594936839 345709203 /nfs/dbraw/zinc/70/92/03/345709203.db2.gz FMIWWGRRHMXVJV-CYBMUJFWSA-N 0 3 285.391 2.198 20 30 CEEDHN Cn1cc(C[C@H]2CCC[C@@H]2NCc2ccc(C#N)o2)cn1 ZINC000594981380 345721549 /nfs/dbraw/zinc/72/15/49/345721549.db2.gz YLWRFTIEAGFWKP-CJNGLKHVSA-N 0 3 284.363 2.386 20 30 CEEDHN N#Cc1ccc(CCN[C@@H]2CCn3ccnc32)cc1 ZINC000595056085 345736140 /nfs/dbraw/zinc/73/61/40/345736140.db2.gz QJZXFZNZDBZJRI-CQSZACIVSA-N 0 3 252.321 2.032 20 30 CEEDHN N#CCC1CCN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000595424613 345779050 /nfs/dbraw/zinc/77/90/50/345779050.db2.gz HIFBKAQBIDDQJZ-QLFBSQMISA-N 0 3 275.396 2.059 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)N2CCC[C@@H](CC#N)C2)C1 ZINC000595454459 345786993 /nfs/dbraw/zinc/78/69/93/345786993.db2.gz LGOLGZXDESHMHN-GJZGRUSLSA-N 0 3 292.427 2.054 20 30 CEEDHN N#Cc1cccc(CNC2(CCO)CCCC2)c1F ZINC000595509809 345799509 /nfs/dbraw/zinc/79/95/09/345799509.db2.gz WIDZMANNPIZCQP-UHFFFAOYSA-N 0 3 262.328 2.482 20 30 CEEDHN C[C@H]1CCCN1C(=O)CCN1CCC[C@H](CC#N)C1 ZINC000595615124 345827989 /nfs/dbraw/zinc/82/79/89/345827989.db2.gz PADUVNWEKDZDSJ-UONOGXRCSA-N 0 3 263.385 2.013 20 30 CEEDHN N#CC[C@@H]1CCCN(C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000595623257 345831315 /nfs/dbraw/zinc/83/13/15/345831315.db2.gz LJJFIGZJYWXQCA-HOCLYGCPSA-N 0 3 276.355 2.355 20 30 CEEDHN C=CCN(CCOc1ccccc1C#N)[C@@H](C)COC ZINC000595646384 345837070 /nfs/dbraw/zinc/83/70/70/345837070.db2.gz IMVHOHBUTWOPDT-AWEZNQCLSA-N 0 3 274.364 2.460 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@H]2COC[C@H]2C1 ZINC000595828420 345887040 /nfs/dbraw/zinc/88/70/40/345887040.db2.gz DOVNGQCVOQVCSS-LSDHHAIUSA-N 0 3 272.348 2.035 20 30 CEEDHN COc1ccc(CN2CC[C@@H]3COC[C@H]3C2)cc1C#N ZINC000595829843 345888694 /nfs/dbraw/zinc/88/86/94/345888694.db2.gz IUFHWOYFUOXOJF-UKRRQHHQSA-N 0 3 272.348 2.035 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@@H]1CCCC12CC2 ZINC000602581831 347087945 /nfs/dbraw/zinc/08/79/45/347087945.db2.gz KARWJWULYUTNAS-QWHCGFSZSA-N 0 3 263.385 2.094 20 30 CEEDHN Cn1ncc(C#N)c1NC1CCN(Cc2ccccc2)CC1 ZINC000596055367 345928835 /nfs/dbraw/zinc/92/88/35/345928835.db2.gz GRZODASPSCGBFZ-UHFFFAOYSA-N 0 3 295.390 2.368 20 30 CEEDHN CC(C)NC(=O)[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000595848145 345897963 /nfs/dbraw/zinc/89/79/63/345897963.db2.gz AJQBKVQCYGMSPF-INIZCTEOSA-N 0 3 285.391 2.295 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@H](C)[C@@](C)(CO)C1 ZINC000595875536 345903870 /nfs/dbraw/zinc/90/38/70/345903870.db2.gz QNEUQKNZXUPHPO-BLLLJJGKSA-N 0 3 274.364 2.017 20 30 CEEDHN C[C@H]1CN(C(=O)CC2(C#N)CCCCC2)[C@@H](C)CN1 ZINC000595932403 345914691 /nfs/dbraw/zinc/91/46/91/345914691.db2.gz OHGYRDQTUGJETQ-STQMWFEESA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCCSCCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000595939157 345915324 /nfs/dbraw/zinc/91/53/24/345915324.db2.gz FXCGJWJIDQGRLG-OAHLLOKOSA-N 0 3 290.432 2.299 20 30 CEEDHN N#CC1(CNC(=O)c2cccc3c2CNC3)CCCCC1 ZINC000595943739 345916743 /nfs/dbraw/zinc/91/67/43/345916743.db2.gz NVSBFMARGOKCEI-UHFFFAOYSA-N 0 3 283.375 2.494 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000595942576 345916750 /nfs/dbraw/zinc/91/67/50/345916750.db2.gz CXNASXWJVJIJDI-QLFBSQMISA-N 0 3 271.364 2.070 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000595942578 345916832 /nfs/dbraw/zinc/91/68/32/345916832.db2.gz CXNASXWJVJIJDI-RBSFLKMASA-N 0 3 271.364 2.070 20 30 CEEDHN C[C@@]1(C#N)CCN(C(=O)[C@H](N)CC2CCCCC2)C1 ZINC000595983145 345920561 /nfs/dbraw/zinc/92/05/61/345920561.db2.gz YVLDAMXXIUUXFU-HIFRSBDPSA-N 0 3 263.385 2.046 20 30 CEEDHN COc1cccc(CNC(=O)[C@@H](N)CCCCC#N)c1C ZINC000595991947 345921240 /nfs/dbraw/zinc/92/12/40/345921240.db2.gz VFDXDUNAEJWHBD-AWEZNQCLSA-N 0 3 289.379 2.031 20 30 CEEDHN N#Cc1c(N[C@H]2CCN(C3CC3)C2)cccc1-n1cccn1 ZINC000596092436 345938024 /nfs/dbraw/zinc/93/80/24/345938024.db2.gz VSQQVFSXBSUTFD-ZDUSSCGKSA-N 0 3 293.374 2.393 20 30 CEEDHN Cc1nsc(N2CCC[C@@H](N3CCCC3)C2)c1C#N ZINC000376159797 282432317 /nfs/dbraw/zinc/43/23/17/282432317.db2.gz ZAGMGWARWGZETC-GFCCVEGCSA-N 0 3 276.409 2.388 20 30 CEEDHN COc1ccc2ncc(C#N)c(N(C)CC3CN(C)C3)c2c1 ZINC000596452075 346027703 /nfs/dbraw/zinc/02/77/03/346027703.db2.gz BDVCXJGTOIGCRI-UHFFFAOYSA-N 0 3 296.374 2.113 20 30 CEEDHN CCCN1CC[C@@H](Nc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000596518496 346044451 /nfs/dbraw/zinc/04/44/51/346044451.db2.gz VBYAQQSLGXJXQH-GFCCVEGCSA-N 0 3 274.324 2.363 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)NCC1(C#N)CCC1 ZINC000596633316 346068614 /nfs/dbraw/zinc/06/86/14/346068614.db2.gz CHYQGMGVTWUHKB-CQSZACIVSA-N 0 3 292.427 2.100 20 30 CEEDHN C[C@H](CC#N)C(=O)NCCCN(C)Cc1ccccc1 ZINC000596679694 346076394 /nfs/dbraw/zinc/07/63/94/346076394.db2.gz KNYIPEKRMPPANP-CQSZACIVSA-N 0 3 273.380 2.174 20 30 CEEDHN C[C@@H](CC#N)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000596751857 346084341 /nfs/dbraw/zinc/08/43/41/346084341.db2.gz DXSBXNUDGDWUBU-AWEZNQCLSA-N 0 3 299.418 2.489 20 30 CEEDHN CN(CCN1CCCC1)C(=O)NCC1(C#N)CCCCC1 ZINC000596865176 346098184 /nfs/dbraw/zinc/09/81/84/346098184.db2.gz AQTWGGCFSBZXNV-UHFFFAOYSA-N 0 3 292.427 2.198 20 30 CEEDHN CC1(C)Cc2n[nH]cc2CN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000596597681 346062564 /nfs/dbraw/zinc/06/25/64/346062564.db2.gz XCQIAIFITWZOPW-WCQYABFASA-N 0 3 258.369 2.486 20 30 CEEDHN N#Cc1ccc(CN2CCCc3[nH]ncc3C2)c(F)c1 ZINC000596596782 346062736 /nfs/dbraw/zinc/06/27/36/346062736.db2.gz FNAWAZHEAIINEP-UHFFFAOYSA-N 0 3 270.311 2.369 20 30 CEEDHN Cn1ncc2c1CC(C)(C)CN([C@H]1CC[C@@H](C#N)C1)C2 ZINC000596599282 346063329 /nfs/dbraw/zinc/06/33/29/346063329.db2.gz SGLNMDKCWMCKLM-OCCSQVGLSA-N 0 3 272.396 2.497 20 30 CEEDHN CN(CCN1CCCC1=O)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597021176 346116201 /nfs/dbraw/zinc/11/62/01/346116201.db2.gz KUTBPDLQTHXYFS-UHFFFAOYSA-N 0 3 297.402 2.296 20 30 CEEDHN CN(C(=O)CC1(C#N)CCCCC1)[C@H]1CCCN(C)C1 ZINC000597293796 346168543 /nfs/dbraw/zinc/16/85/43/346168543.db2.gz HWHMLOSSIZJZIL-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN CN(C)CCOc1ccc(CN2CC[C@](C)(C#N)C2)cc1 ZINC000597230208 346156242 /nfs/dbraw/zinc/15/62/42/346156242.db2.gz QUUMKDLLNAVOMJ-QGZVFWFLSA-N 0 3 287.407 2.363 20 30 CEEDHN C[C@H](CC#N)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000597399275 346181793 /nfs/dbraw/zinc/18/17/93/346181793.db2.gz OCPPVDMHIFPWGC-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CCC[C@]2(CCN(C)C2)C1 ZINC000597709948 346219297 /nfs/dbraw/zinc/21/92/97/346219297.db2.gz DRINFPCUVIQWHY-MRXNPFEDSA-N 0 3 287.363 2.018 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCC1CSC1 ZINC000597747114 346225430 /nfs/dbraw/zinc/22/54/30/346225430.db2.gz SFMSLEFEXNHOJR-AWEZNQCLSA-N 0 3 274.389 2.238 20 30 CEEDHN C[C@@H](CC#N)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000597823489 346236184 /nfs/dbraw/zinc/23/61/84/346236184.db2.gz REHSRMOKXLAZKK-WMLDXEAASA-N 0 3 285.391 2.317 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cccc(F)c1C#N ZINC000597859073 346239395 /nfs/dbraw/zinc/23/93/95/346239395.db2.gz RLLBEWWQDOLOFQ-NSHDSACASA-N 0 3 289.354 2.300 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000597924923 346254403 /nfs/dbraw/zinc/25/44/03/346254403.db2.gz VEBVMLZLRLUJGD-SUMWQHHRSA-N 0 3 289.423 2.449 20 30 CEEDHN CCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCN(CC)C1 ZINC000598042212 346274392 /nfs/dbraw/zinc/27/43/92/346274392.db2.gz WHRXSZUHNDQPKI-CQSZACIVSA-N 0 3 289.354 2.254 20 30 CEEDHN C[C@H](C#N)N(C(=O)[C@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000598135038 346297410 /nfs/dbraw/zinc/29/74/10/346297410.db2.gz NPBJHZAOOHSSTN-ZBFHGGJFSA-N 0 3 297.402 2.412 20 30 CEEDHN CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(C)(C)C#N)C1 ZINC000598195625 346303233 /nfs/dbraw/zinc/30/32/33/346303233.db2.gz PUIPXHPBLRNBME-INIZCTEOSA-N 0 3 299.418 2.312 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000598263198 346316104 /nfs/dbraw/zinc/31/61/04/346316104.db2.gz PZXQLIMTRKKNRT-LBPRGKRZSA-N 0 3 288.395 2.045 20 30 CEEDHN C[C@H](C(=O)N1CC[C@@](C)(C#N)C1)N1CCCCCC1 ZINC000598411422 346349632 /nfs/dbraw/zinc/34/96/32/346349632.db2.gz IZIODFWWPHRPDK-HIFRSBDPSA-N 0 3 263.385 2.013 20 30 CEEDHN CC[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H](C)N1 ZINC000598531312 346371555 /nfs/dbraw/zinc/37/15/55/346371555.db2.gz IWZBCFWKPLARTN-XJKSGUPXSA-N 0 3 297.402 2.454 20 30 CEEDHN CC[C@@H]1CN(C(=O)CCCCCC#N)C[C@H](C)N1 ZINC000598531801 346371794 /nfs/dbraw/zinc/37/17/94/346371794.db2.gz QBYVMSHUDHPZSK-QWHCGFSZSA-N 0 3 251.374 2.059 20 30 CEEDHN COCCN(Cc1cccs1)C[C@H](O)CC(C)(C)C#N ZINC000598583639 346377349 /nfs/dbraw/zinc/37/73/49/346377349.db2.gz DDWMHRMVINJMJY-CYBMUJFWSA-N 0 3 296.436 2.497 20 30 CEEDHN CN(CCOc1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598585800 346377485 /nfs/dbraw/zinc/37/74/85/346377485.db2.gz AVGOFJABXGGTDJ-CQSZACIVSA-N 0 3 276.380 2.298 20 30 CEEDHN CC[C@@H]1CN2CCCC[C@@H]2CN1C[C@H](O)CC(C)(C)C#N ZINC000598593678 346380645 /nfs/dbraw/zinc/38/06/45/346380645.db2.gz VOKVNAONROOTTE-BZUAXINKSA-N 0 3 293.455 2.236 20 30 CEEDHN Cc1ccoc1CN(C)C[C@H](O)CC(C)(C)C#N ZINC000598617245 346384852 /nfs/dbraw/zinc/38/48/52/346384852.db2.gz HFBLSLBVKBOJGQ-GFCCVEGCSA-N 0 3 250.342 2.321 20 30 CEEDHN COc1ccc2c(c1)CCN(C[C@H](O)CC(C)(C)C#N)C2 ZINC000598627583 346387745 /nfs/dbraw/zinc/38/77/45/346387745.db2.gz CWYUIOIOYKFYQQ-OAHLLOKOSA-N 0 3 288.391 2.354 20 30 CEEDHN N#Cc1ccccc1CN1CCNC[C@H]1c1cccnc1 ZINC000598680360 346399698 /nfs/dbraw/zinc/39/96/98/346399698.db2.gz XYLKQPVRHWNVIX-KRWDZBQOSA-N 0 3 278.359 2.100 20 30 CEEDHN COc1cccc(CNC[C@@H](O)CC(C)(C)C#N)c1OC ZINC000598699179 346403304 /nfs/dbraw/zinc/40/33/04/346403304.db2.gz CFWZKPOLPIZTJM-ZDUSSCGKSA-N 0 3 292.379 2.094 20 30 CEEDHN N#Cc1ccc(OC[C@H](O)CN2CC(CC3CC3)C2)cc1 ZINC000598706302 346405013 /nfs/dbraw/zinc/40/50/13/346405013.db2.gz PZVNQMYIEWQFKP-MRXNPFEDSA-N 0 3 286.375 2.030 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@H](C)[C@H](CO)C1 ZINC000598648074 346393418 /nfs/dbraw/zinc/39/34/18/346393418.db2.gz REDIAKFRXWUOLC-WFASDCNBSA-N 0 3 274.364 2.017 20 30 CEEDHN Cc1ccc2c(c1)[C@@H](NC[C@H](O)CC(C)(C)C#N)CO2 ZINC000598727420 346410247 /nfs/dbraw/zinc/41/02/47/346410247.db2.gz XBJMMDMORMSVHR-OCCSQVGLSA-N 0 3 274.364 2.319 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(CC3CC3)C2)cc1 ZINC000598780422 346418959 /nfs/dbraw/zinc/41/89/59/346418959.db2.gz DVCSAFIMRXKTEX-KRWDZBQOSA-N 0 3 293.370 2.499 20 30 CEEDHN Cn1ncc2c1CN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000598938421 346434979 /nfs/dbraw/zinc/43/49/79/346434979.db2.gz DXZCCBOGTKCSPU-CQSZACIVSA-N 0 3 294.358 2.035 20 30 CEEDHN CN(C)c1c(F)c(F)ccc1CNCCCC#N ZINC000598971696 346439878 /nfs/dbraw/zinc/43/98/78/346439878.db2.gz BGKKWLPVVQCKCG-UHFFFAOYSA-N 0 3 253.296 2.424 20 30 CEEDHN C[C@@H]1CN(c2nc(C(C)(C)C)ccc2C#N)C[C@H](C)N1 ZINC000599110483 346461267 /nfs/dbraw/zinc/46/12/67/346461267.db2.gz UDBMKDYATDAWQA-TXEJJXNPSA-N 0 3 272.396 2.437 20 30 CEEDHN COC(=O)[C@@H]1CCCCCN1C[C@H](C)CCC#N ZINC000602596984 347094249 /nfs/dbraw/zinc/09/42/49/347094249.db2.gz PBHSXRZUUXNYNF-OLZOCXBDSA-N 0 3 252.358 2.344 20 30 CEEDHN Cc1ccc(CN(C)[C@@H](CO)COC(C)C)cc1C#N ZINC000599385017 346511676 /nfs/dbraw/zinc/51/16/76/346511676.db2.gz GOTYMUFEYJWECN-INIZCTEOSA-N 0 3 276.380 2.084 20 30 CEEDHN CN(C(=O)C[C@H](N)c1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602602008 347095298 /nfs/dbraw/zinc/09/52/98/347095298.db2.gz LYQCZNCRTFGQQN-SOUVJXGZSA-N 0 3 271.364 2.227 20 30 CEEDHN Cc1ccc(CN2CCC[C@H]([C@@H](C)O)C2)cc1C#N ZINC000599334983 346500962 /nfs/dbraw/zinc/50/09/62/346500962.db2.gz LOKFBXSKPLGAMZ-HIFRSBDPSA-N 0 3 258.365 2.460 20 30 CEEDHN CCCNC(=O)CCCN1CCc2c(CC#N)cccc2C1 ZINC000599678159 346562086 /nfs/dbraw/zinc/56/20/86/346562086.db2.gz PEZWJSGYTSNFSM-UHFFFAOYSA-N 0 3 299.418 2.417 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCc2c(CC#N)cccc2C1 ZINC000599678427 346562523 /nfs/dbraw/zinc/56/25/23/346562523.db2.gz QJUFDSJSMCTCON-MRXNPFEDSA-N 0 3 297.402 2.412 20 30 CEEDHN Cc1ccc(CN2CC[C@@H](C)[C@H](CO)C2)cc1C#N ZINC000599491004 346528375 /nfs/dbraw/zinc/52/83/75/346528375.db2.gz PHTAVLIRMBOFKQ-CJNGLKHVSA-N 0 3 258.365 2.317 20 30 CEEDHN Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc(CC#N)cc2)n1 ZINC000599683363 346564154 /nfs/dbraw/zinc/56/41/54/346564154.db2.gz RWSNRPFAHQCLNP-LSDHHAIUSA-N 0 3 298.346 2.064 20 30 CEEDHN CCN(C(=O)c1ccc(CC#N)cc1)C1CCN(C)CC1 ZINC000599985607 346589505 /nfs/dbraw/zinc/58/95/05/346589505.db2.gz HQVWWYZLBUAUOU-UHFFFAOYSA-N 0 3 285.391 2.309 20 30 CEEDHN N#CC1(CC(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000600228445 346626968 /nfs/dbraw/zinc/62/69/68/346626968.db2.gz AGCBMKXHRGEOTE-AWEZNQCLSA-N 0 3 275.396 2.203 20 30 CEEDHN COc1cc(Cl)ccc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600719117 346677639 /nfs/dbraw/zinc/67/76/39/346677639.db2.gz BQVZOVQPWKDEQY-ZDUSSCGKSA-N 0 3 294.782 2.493 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCCc3occc32)CC1 ZINC000600720350 346677853 /nfs/dbraw/zinc/67/78/53/346677853.db2.gz YOKRLJRQGLVHKD-DGCLKSJQSA-N 0 3 260.337 2.301 20 30 CEEDHN N#Cc1ccc(CNc2ccc([C@H]3CNCCO3)cc2)o1 ZINC000600767684 346686221 /nfs/dbraw/zinc/68/62/21/346686221.db2.gz CCDHEFVYENMOJR-MRXNPFEDSA-N 0 3 283.331 2.424 20 30 CEEDHN CN(C)CCNc1ccc(-c2cccc(F)c2C#N)cn1 ZINC000600792456 346691295 /nfs/dbraw/zinc/69/12/95/346691295.db2.gz XZQZPVOBZIQJRP-UHFFFAOYSA-N 0 3 284.338 2.155 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@H](CC)C2)CC1 ZINC000129400137 365854234 /nfs/dbraw/zinc/85/42/34/365854234.db2.gz YQOTWJSUAMYVQJ-HOCLYGCPSA-N 0 3 276.424 2.417 20 30 CEEDHN C[C@H](CCC#N)CNCc1ccc(S(C)(=O)=O)s1 ZINC000602633005 347114417 /nfs/dbraw/zinc/11/44/17/347114417.db2.gz VWMGADKFJZWSKO-SNVBAGLBSA-N 0 3 286.422 2.181 20 30 CEEDHN C[C@@H](CCC#N)CN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000602643285 347119742 /nfs/dbraw/zinc/11/97/42/347119742.db2.gz DAKZAYRQYHZFKQ-ZFWWWQNUSA-N 0 3 266.385 2.196 20 30 CEEDHN N#CCC1(CNCc2cccn(C(F)F)c2=O)CC1 ZINC000602643257 347120080 /nfs/dbraw/zinc/12/00/80/347120080.db2.gz PEYWEEPCULKHBQ-UHFFFAOYSA-N 0 3 267.279 2.027 20 30 CEEDHN Cc1cnc(CCNCc2cccc(C#N)n2)c(C)c1 ZINC000602708184 347162066 /nfs/dbraw/zinc/16/20/66/347162066.db2.gz XDAZPLQDJMOBEF-UHFFFAOYSA-N 0 3 266.348 2.297 20 30 CEEDHN CC(C)(C)OC(=O)[C@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602777542 347194569 /nfs/dbraw/zinc/19/45/69/347194569.db2.gz FRGJXPNGPSBBSW-LBPRGKRZSA-N 0 3 264.369 2.344 20 30 CEEDHN N#CCC1(CN2CCC(c3nnc4n3CCCC4)CC2)CC1 ZINC000602818316 347212517 /nfs/dbraw/zinc/21/25/17/347212517.db2.gz MVHKTEJLFNSTDO-UHFFFAOYSA-N 0 3 299.422 2.488 20 30 CEEDHN COC(=O)[C@@]1(C)CN(Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000602722776 347170529 /nfs/dbraw/zinc/17/05/29/347170529.db2.gz CYFYXTAPQMGJLM-LRDDRELGSA-N 0 3 272.348 2.189 20 30 CEEDHN N#Cc1cnn2cc(CN[C@@]34C[C@@H]3CCCC4)cnc12 ZINC000602731407 347176342 /nfs/dbraw/zinc/17/63/42/347176342.db2.gz JQCIKJTXUPLSOX-ZFWWWQNUSA-N 0 3 267.336 2.023 20 30 CEEDHN CC[C@@]1(O)CCCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000602740972 347181070 /nfs/dbraw/zinc/18/10/70/347181070.db2.gz SSWQDTAKGBCJRU-MRXNPFEDSA-N 0 3 274.364 2.304 20 30 CEEDHN C[C@H]1CN(CCCOC(C)(C)C)C[C@H](C)N1CC#N ZINC000602858325 347227200 /nfs/dbraw/zinc/22/72/00/347227200.db2.gz ACUFKWXZHFQZHF-KBPBESRZSA-N 0 3 267.417 2.110 20 30 CEEDHN CN1CCN(Cc2ccnc(C#N)c2)C[C@H]1C(C)(C)C ZINC000602875282 347234674 /nfs/dbraw/zinc/23/46/74/347234674.db2.gz ZCLNOCPHTCKMBI-HNNXBMFYSA-N 0 3 272.396 2.115 20 30 CEEDHN CN(C)C[C@@H]1COC2(CCCC2)CN1CC1(CC#N)CC1 ZINC000602906499 347243558 /nfs/dbraw/zinc/24/35/58/347243558.db2.gz KUJPKPWVAHYZBL-OAHLLOKOSA-N 0 3 291.439 2.255 20 30 CEEDHN C[C@H](CN(C)CC(=O)N(CCC#N)CCC#N)C(C)(C)C ZINC000603056866 347278326 /nfs/dbraw/zinc/27/83/26/347278326.db2.gz VZBWLGLQOXTPAB-CQSZACIVSA-N 0 3 292.427 2.256 20 30 CEEDHN CC(C)(C)[C@@H](N)c1cn([C@H](C#N)c2ccccc2)nn1 ZINC000603219917 347312703 /nfs/dbraw/zinc/31/27/03/347312703.db2.gz CPTGRERHCZZAQG-KGLIPLIRSA-N 0 3 269.352 2.437 20 30 CEEDHN CC[C@](C)(N)c1cn(Cc2ccc(C)c(C#N)c2)nn1 ZINC000603224245 347314218 /nfs/dbraw/zinc/31/42/18/347314218.db2.gz QIWQQPCFJKJAOE-HNNXBMFYSA-N 0 3 269.352 2.090 20 30 CEEDHN CCC[C@H](N)c1cn(Cc2cccc(C#N)c2F)nn1 ZINC000603238745 347319526 /nfs/dbraw/zinc/31/95/26/347319526.db2.gz XHBYTEYYMDJJDC-LBPRGKRZSA-N 0 3 273.315 2.137 20 30 CEEDHN C=CCC[C@H](CO)NCc1cc([N+](=O)[O-])ccc1OCC ZINC000603430326 347368417 /nfs/dbraw/zinc/36/84/17/347368417.db2.gz ZULSKIUVXVDXDR-CYBMUJFWSA-N 0 3 294.351 2.410 20 30 CEEDHN C=CCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000065442204 362822979 /nfs/dbraw/zinc/82/29/79/362822979.db2.gz QUIFVEWRTIAHKA-UHFFFAOYSA-N 0 3 265.401 2.080 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H](C)C(C)(C)C ZINC000603873266 347394054 /nfs/dbraw/zinc/39/40/54/347394054.db2.gz FZAAGJWMEHOPPR-OLZOCXBDSA-N 0 3 267.417 2.361 20 30 CEEDHN C[C@@H]1C[C@@H](C)N(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000610133334 347662046 /nfs/dbraw/zinc/66/20/46/347662046.db2.gz GCXFTSHLRBEKIL-ZIAGYGMSSA-N 0 3 277.412 2.402 20 30 CEEDHN N#CCN1CCC(NCc2c(F)cccc2F)CC1 ZINC000609334701 347634813 /nfs/dbraw/zinc/63/48/13/347634813.db2.gz BSDKPYFDOGLINE-UHFFFAOYSA-N 0 3 265.307 2.042 20 30 CEEDHN N#Cc1ccc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000609391324 347638366 /nfs/dbraw/zinc/63/83/66/347638366.db2.gz UOVBEHQLQXLVQG-OAHLLOKOSA-N 0 3 284.363 2.164 20 30 CEEDHN CC(C)C[C@@H](C#N)NC(=O)[C@H](C)N1CCCCCC1 ZINC000609847906 347652357 /nfs/dbraw/zinc/65/23/57/347652357.db2.gz NAWAOUNQERBYQW-KBPBESRZSA-N 0 3 265.401 2.305 20 30 CEEDHN COc1cc(CNC(=O)C(C)C#N)ccc1OC(F)F ZINC000609920644 347655794 /nfs/dbraw/zinc/65/57/94/347655794.db2.gz XEJAKQQAUUSQSQ-QMMMGPOBSA-N 0 3 284.262 2.072 20 30 CEEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000610430002 347681372 /nfs/dbraw/zinc/68/13/72/347681372.db2.gz BMOTWXBRLDDBIS-ONGXEEELSA-N 0 3 274.324 2.160 20 30 CEEDHN N#Cc1csc(CNC2CCN(CC(F)F)CC2)c1 ZINC000610488697 347684622 /nfs/dbraw/zinc/68/46/22/347684622.db2.gz VIXFAQVKYZYRNN-UHFFFAOYSA-N 0 3 285.363 2.439 20 30 CEEDHN C[C@@H](NC1CCN(CC#N)CC1)c1nc2ccccc2n1C ZINC000611366164 347769823 /nfs/dbraw/zinc/76/98/23/347769823.db2.gz GZWAIVZISAMUKZ-CYBMUJFWSA-N 0 3 297.406 2.212 20 30 CEEDHN CCCNC(=O)CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611391056 347772777 /nfs/dbraw/zinc/77/27/77/347772777.db2.gz ONMFAFSXYBLFDZ-INIZCTEOSA-N 0 3 285.391 2.442 20 30 CEEDHN N#Cc1csc(CNC[C@@H](CO)Cc2ccco2)c1 ZINC000610890024 347720739 /nfs/dbraw/zinc/72/07/39/347720739.db2.gz PUDYORNOIVNUHL-LBPRGKRZSA-N 0 3 276.361 2.154 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2nc3ccccn3c2C#N)CCN1C ZINC000611754302 347814036 /nfs/dbraw/zinc/81/40/36/347814036.db2.gz BBCBMYJCYMGYTD-NEPJUHHUSA-N 0 3 269.352 2.101 20 30 CEEDHN CN1[C@@H]2CC[C@H]1CCN(Cc1ccc(C#N)s1)C2 ZINC000130342555 365945874 /nfs/dbraw/zinc/94/58/74/365945874.db2.gz TXDGHWKCGQWZDN-NWDGAFQWSA-N 0 3 261.394 2.288 20 30 CEEDHN CN(C)C1CN(c2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613430891 348045769 /nfs/dbraw/zinc/04/57/69/348045769.db2.gz HVDFJIGQEUZRNA-UHFFFAOYSA-N 0 3 258.369 2.001 20 30 CEEDHN CC(C#N)C(=O)N1Cc2cccc(Br)c2C1 ZINC000613846718 348113937 /nfs/dbraw/zinc/11/39/37/348113937.db2.gz CJKFBIZDJOHFNS-QMMMGPOBSA-N 0 3 279.137 2.451 20 30 CEEDHN CNC(=O)C1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614160033 348152344 /nfs/dbraw/zinc/15/23/44/348152344.db2.gz KUCQCNKGBTZZMP-UHFFFAOYSA-N 0 3 299.418 2.446 20 30 CEEDHN CCN(C)C(=O)CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000614163950 348153124 /nfs/dbraw/zinc/15/31/24/348153124.db2.gz OQPROBQOSKPTTM-HNNXBMFYSA-N 0 3 271.364 2.004 20 30 CEEDHN C[C@@H](CCO)CCNCc1ccc(C#N)cc1F ZINC000295149346 199372796 /nfs/dbraw/zinc/37/27/96/199372796.db2.gz QWOIFEHAUAXNOP-LLVKDONJSA-N 0 3 250.317 2.196 20 30 CEEDHN C=CCC[C@H](O)CN[C@H](CCOC)c1ccco1 ZINC000273321414 192112533 /nfs/dbraw/zinc/11/25/33/192112533.db2.gz WZKGMFAEGILFNP-QWHCGFSZSA-N 0 3 253.342 2.274 20 30 CEEDHN CCCCCN(CC(=O)NCC#N)[C@H](C)CCC ZINC000066496699 362868543 /nfs/dbraw/zinc/86/85/43/362868543.db2.gz ZXFMYBGGHNEGPO-CYBMUJFWSA-N 0 3 253.390 2.307 20 30 CEEDHN COc1ccc(CN2C[C@H](C)N(C)C[C@H]2C)cc1C#N ZINC000351951893 219262002 /nfs/dbraw/zinc/26/20/02/219262002.db2.gz OZBCIAOFHBUELY-QWHCGFSZSA-N 0 3 273.380 2.091 20 30 CEEDHN COC(=O)C1(CN[C@H](C)c2cccc(C#N)c2)CC1 ZINC000615461817 348331814 /nfs/dbraw/zinc/33/18/14/348331814.db2.gz DTOUEVNTEIQOPD-LLVKDONJSA-N 0 3 258.321 2.162 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)CSC)CC1 ZINC000066838887 362888518 /nfs/dbraw/zinc/88/85/18/362888518.db2.gz VSGZYPNLDUUHPQ-LBPRGKRZSA-N 0 3 270.442 2.142 20 30 CEEDHN Cc1c(Cl)cnc(NCCN(C)C2CC2)c1C#N ZINC000273426960 192146128 /nfs/dbraw/zinc/14/61/28/192146128.db2.gz ZVXFOWXMXLWWRW-UHFFFAOYSA-N 0 3 264.760 2.421 20 30 CEEDHN CC[C@H](N[C@H](C)[C@@H]1CN(C)CCO1)c1ccc(C#N)cc1 ZINC000618572082 348979144 /nfs/dbraw/zinc/97/91/44/348979144.db2.gz UBESPIVJZKQWBE-COXVUDFISA-N 0 3 287.407 2.318 20 30 CEEDHN CCN1CCN(Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000618593797 348990223 /nfs/dbraw/zinc/99/02/23/348990223.db2.gz TUDMBTCBHXNAPO-AWEZNQCLSA-N 0 3 257.381 2.393 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC2(CCN(C)C2=O)CC1 ZINC000618546774 348973108 /nfs/dbraw/zinc/97/31/08/348973108.db2.gz JRRSQCUYLYJCFK-UHFFFAOYSA-N 0 3 297.402 2.311 20 30 CEEDHN C[C@H](NCCOc1cccc(C#N)c1)c1cn[nH]c1 ZINC000273968813 192382143 /nfs/dbraw/zinc/38/21/43/192382143.db2.gz GNOJRYOISYNHOG-NSHDSACASA-N 0 3 256.309 2.011 20 30 CEEDHN N#Cc1ccc(CNCCN2CC=CCC2)cc1F ZINC000404042750 233192823 /nfs/dbraw/zinc/19/28/23/233192823.db2.gz BMTUPPZJWHGYBV-UHFFFAOYSA-N 0 3 259.328 2.049 20 30 CEEDHN C[S@](=O)C1(CNCc2ccc(C#N)c(F)c2)CCC1 ZINC000403990426 233192878 /nfs/dbraw/zinc/19/28/78/233192878.db2.gz DMBTWUZXZSZBGZ-IBGZPJMESA-N 0 3 280.368 2.088 20 30 CEEDHN C[C@H]1CN(Cc2ccc(F)cc2C#N)C[C@H](C)N1C ZINC000339615735 215271496 /nfs/dbraw/zinc/27/14/96/215271496.db2.gz UCLIETFHGCSINN-RYUDHWBXSA-N 0 3 261.344 2.222 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(F)cc2C#N)C[C@H](C)N1C ZINC000339615736 215271172 /nfs/dbraw/zinc/27/11/72/215271172.db2.gz UCLIETFHGCSINN-TXEJJXNPSA-N 0 3 261.344 2.222 20 30 CEEDHN C[C@H](C#N)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000619675199 349215942 /nfs/dbraw/zinc/21/59/42/349215942.db2.gz UFYHEUYERSRZMW-CQSZACIVSA-N 0 3 277.412 2.309 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(F)c(F)c1N(C)C ZINC000623491153 350033005 /nfs/dbraw/zinc/03/30/05/350033005.db2.gz HSPYMVGHZDYUGS-NSHDSACASA-N 0 3 270.323 2.057 20 30 CEEDHN C=CC(C)(C)CCN[C@@H](c1nnc[nH]1)c1cccnc1 ZINC000624036997 350176314 /nfs/dbraw/zinc/17/63/14/350176314.db2.gz HXDOEMBDVZUFBF-CYBMUJFWSA-N 0 3 271.368 2.481 20 30 CEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(C#N)CC1 ZINC000105182016 186044725 /nfs/dbraw/zinc/04/47/25/186044725.db2.gz FTMRULHGDBTZBK-UONOGXRCSA-N 0 3 292.427 2.052 20 30 CEEDHN C=C(C)CN(CC)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000105265848 186048756 /nfs/dbraw/zinc/04/87/56/186048756.db2.gz BNXRHMXYZRQHLZ-LBPRGKRZSA-N 0 3 253.390 2.077 20 30 CEEDHN N#Cc1cc(Cl)ccc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091670659 180224494 /nfs/dbraw/zinc/22/44/94/180224494.db2.gz REKNSLYJMNEARQ-ZIAGYGMSSA-N 0 3 291.782 2.487 20 30 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C#CCCOc1ccc(CN2C[C@H](O)[C@H](CC)C2)cc1 ZINC000271389446 191112535 /nfs/dbraw/zinc/11/25/35/191112535.db2.gz SUNWUWHMHHBBMD-WBVHZDCISA-N 0 3 273.376 2.291 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC(O)(CC)CC ZINC000626109163 350654585 /nfs/dbraw/zinc/65/45/85/350654585.db2.gz FVLPOHQXVGXBQK-AWEZNQCLSA-N 0 3 284.444 2.282 20 30 CEEDHN N#Cc1ccc(CN2CCC(c3nc[nH]n3)CC2)s1 ZINC000130717682 365984695 /nfs/dbraw/zinc/98/46/95/365984695.db2.gz BOVYNBKDJYZAFR-UHFFFAOYSA-N 0 3 273.365 2.117 20 30 CEEDHN CN1CCN(CCCOc2ccc(C#N)cc2)CC1(C)C ZINC000110719189 186315634 /nfs/dbraw/zinc/31/56/34/186315634.db2.gz ZTHKCRMHKJOYOP-UHFFFAOYSA-N 0 3 287.407 2.353 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000628488793 351115014 /nfs/dbraw/zinc/11/50/14/351115014.db2.gz IOCVWTAGPYHPAF-CQSZACIVSA-N 0 3 250.386 2.143 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)CC2CCN(C)CC2)C1 ZINC000628491308 351115959 /nfs/dbraw/zinc/11/59/59/351115959.db2.gz VTSGOGUZLINSBF-AWEZNQCLSA-N 0 3 250.386 2.143 20 30 CEEDHN 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C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC1(O)CCCC1 ZINC000151966799 366679111 /nfs/dbraw/zinc/67/91/11/366679111.db2.gz BCWZLWGPIRZXCD-AWEZNQCLSA-N 0 3 282.428 2.036 20 30 CEEDHN CC[C@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)N(C)C ZINC000298245120 200369908 /nfs/dbraw/zinc/36/99/08/200369908.db2.gz MIEHGHLIEUWRDI-MRXNPFEDSA-N 0 3 285.391 2.389 20 30 CEEDHN C=CCC[C@H](O)CN(C)Cc1ccc(OC)cc1OC ZINC000178028187 189087026 /nfs/dbraw/zinc/08/70/26/189087026.db2.gz RALOVXKYFCYJTP-AWEZNQCLSA-N 0 3 279.380 2.463 20 30 CEEDHN COc1cc(CN[C@H]2C[C@@H]2C(F)F)ccc1C#N ZINC000342236879 216272591 /nfs/dbraw/zinc/27/25/91/216272591.db2.gz RFAXXLXBRKGMIQ-QWRGUYRKSA-N 0 3 252.264 2.310 20 30 CEEDHN COCC#CCN1CCC[C@H]1Cc1ccccc1OC ZINC000677478187 541018479 /nfs/dbraw/zinc/01/84/79/541018479.db2.gz QKHVIKMNHOAGGW-INIZCTEOSA-N 0 3 273.376 2.352 20 30 CEEDHN CC(C)N1C[C@H](N[C@H]2CCc3ccc(C#N)cc32)CC1=O ZINC000580015952 366736454 /nfs/dbraw/zinc/73/64/54/366736454.db2.gz JOJMKQGYOYEDFK-ZBFHGGJFSA-N 0 3 283.375 2.144 20 30 CEEDHN 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CC(C)N1CCC[C@H](NC(=O)c2cscc2C#N)C1 ZINC000335738950 364911483 /nfs/dbraw/zinc/91/14/83/364911483.db2.gz CVSLPSFUUVDSLO-LBPRGKRZSA-N 0 3 277.393 2.222 20 30 CEEDHN C=CC[C@H](CO)NCc1c[nH]nc1-c1ccccc1F ZINC000680483919 541418349 /nfs/dbraw/zinc/41/83/49/541418349.db2.gz DDMUKVRSVPBJMG-GFCCVEGCSA-N 0 3 275.327 2.242 20 30 CEEDHN C=CC[C@H](CO)NCc1cn(C)nc1-c1cccs1 ZINC000680484781 541418444 /nfs/dbraw/zinc/41/84/44/541418444.db2.gz NVCZVMNFAKZVFD-GFCCVEGCSA-N 0 3 277.393 2.175 20 30 CEEDHN COc1ccc(CNCC[C@@H](C)O)cc1OCCCC#N ZINC000114770866 364964793 /nfs/dbraw/zinc/96/47/93/364964793.db2.gz JAJKEJPCVLQXMC-CYBMUJFWSA-N 0 3 292.379 2.238 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC(C)=C[C@@H](C)C2)CC1 ZINC000335781018 364973494 /nfs/dbraw/zinc/97/34/94/364973494.db2.gz BZQXIOPKCVXTBL-CYBMUJFWSA-N 0 3 277.412 2.244 20 30 CEEDHN C[C@@H](N[C@H]1CNCCC1(F)F)c1ccc(C#N)cc1 ZINC000335568942 212279436 /nfs/dbraw/zinc/27/94/36/212279436.db2.gz OWHBCOZIZOXAHP-MFKMUULPSA-N 0 3 265.307 2.206 20 30 CEEDHN CN(Cc1ccc(C#N)s1)C[C@H]1CCCOC1 ZINC000119795548 365325830 /nfs/dbraw/zinc/32/58/30/365325830.db2.gz SYBBNCOYSRIKEO-LLVKDONJSA-N 0 3 250.367 2.478 20 30 CEEDHN CC(C)N1CCCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000336108959 365418268 /nfs/dbraw/zinc/41/82/68/365418268.db2.gz SGPJONBJNYDJMD-UHFFFAOYSA-N 0 3 289.354 2.254 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120217312 365390243 /nfs/dbraw/zinc/39/02/43/365390243.db2.gz SPTQRYBIABANAO-IMJJTQAJSA-N 0 3 294.439 2.156 20 30 CEEDHN N#Cc1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)o1 ZINC000159592818 366930149 /nfs/dbraw/zinc/93/01/49/366930149.db2.gz SHPFTWHDOATYQN-IHRRRGAJSA-N 0 3 258.321 2.198 20 30 CEEDHN CCCN(Cc1cnc2c(C#N)cnn2c1)C(C)C ZINC000583392043 367044340 /nfs/dbraw/zinc/04/43/40/367044340.db2.gz RTZHOLJMNASQAF-UHFFFAOYSA-N 0 3 257.341 2.221 20 30 CEEDHN Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)[nH]2)N(C)C)cc1 ZINC000161944026 367125399 /nfs/dbraw/zinc/12/53/99/367125399.db2.gz AXQFUGCTHXQUFU-MRXNPFEDSA-N 0 3 296.374 2.228 20 30 CEEDHN C#CCOc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000245447659 370821341 /nfs/dbraw/zinc/82/13/41/370821341.db2.gz MHEAGIOEXFGCKP-CVEARBPZSA-N 0 3 298.386 2.007 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)C(C)C#N)N2CCCC2)o1 ZINC000357887814 370833146 /nfs/dbraw/zinc/83/31/46/370833146.db2.gz CVIPPCAMLCUIAV-AAEUAGOBSA-N 0 3 275.352 2.001 20 30 CEEDHN C[C@@H]1C[C@@H]1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000357948923 370849277 /nfs/dbraw/zinc/84/92/77/370849277.db2.gz NNXUXELQKBTNDV-RHSMWYFYSA-N 0 3 299.418 2.495 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2ccc(N(C)C)cn2)nc(C)n1 ZINC000342460542 367411344 /nfs/dbraw/zinc/41/13/44/367411344.db2.gz HHXIYTXIPIMEGN-ZDUSSCGKSA-N 0 3 295.346 2.045 20 30 CEEDHN C=C1CC(C)(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000631674640 367479581 /nfs/dbraw/zinc/47/95/81/367479581.db2.gz HUIIHQMQHOBZCW-GJZGRUSLSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCOc1ccccc1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000171106301 367479668 /nfs/dbraw/zinc/47/96/68/367479668.db2.gz OJPHLKNVXURCAB-CYBMUJFWSA-N 0 3 288.391 2.464 20 30 CEEDHN CC[C@@H]1C[C@H](C)CN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000342680746 367481308 /nfs/dbraw/zinc/48/13/08/367481308.db2.gz VFHWWCLIJBJJBO-MELADBBJSA-N 0 3 265.401 2.115 20 30 CEEDHN CN(C)CCOc1ccccc1C(=O)NCCCCC#N ZINC000171592586 367572649 /nfs/dbraw/zinc/57/26/49/367572649.db2.gz DQDYMBZCMGDRTA-UHFFFAOYSA-N 0 3 289.379 2.051 20 30 CEEDHN N#Cc1nccc(N[C@@H](CN2CCCC2)c2ccccc2)n1 ZINC000572532203 299377531 /nfs/dbraw/zinc/37/75/31/299377531.db2.gz CARIKASTOLOSSH-HNNXBMFYSA-N 0 3 293.374 2.019 20 30 CEEDHN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)C(C)C#N ZINC000343517662 367858015 /nfs/dbraw/zinc/85/80/15/367858015.db2.gz DWBPBRNOPRFILU-KWBADKCTSA-N 0 3 264.300 2.178 20 30 CEEDHN C=CCC(CC=C)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000343604673 367910807 /nfs/dbraw/zinc/91/08/07/367910807.db2.gz BBBJLAKUWOYPSY-HNNXBMFYSA-N 0 3 262.397 2.307 20 30 CEEDHN N#Cc1ccc(CNCCc2cn3ccccc3n2)o1 ZINC000174261198 368003567 /nfs/dbraw/zinc/00/35/67/368003567.db2.gz IKEWCFYJNBNLBG-UHFFFAOYSA-N 0 3 266.304 2.131 20 30 CEEDHN CN(CCCNCc1ccc(C#N)o1)C(=O)OC(C)(C)C ZINC000174349405 368013578 /nfs/dbraw/zinc/01/35/78/368013578.db2.gz LLZKFFMLPZOPBF-UHFFFAOYSA-N 0 3 293.367 2.498 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2cc(C)cc(N)c2)CC1 ZINC000632970807 368013855 /nfs/dbraw/zinc/01/38/55/368013855.db2.gz QMKCCOSSANGUOC-UHFFFAOYSA-N 0 3 288.395 2.349 20 30 CEEDHN C=CCC[C@H](O)CN(C)CCOCc1ccc(C#N)cc1 ZINC000344119659 368108664 /nfs/dbraw/zinc/10/86/64/368108664.db2.gz PMMCHFQCYKEHGE-KRWDZBQOSA-N 0 3 288.391 2.334 20 30 CEEDHN CCCN(CCOCCOC)Cc1ccc(C#N)cc1 ZINC000175583486 368153532 /nfs/dbraw/zinc/15/35/32/368153532.db2.gz GURPTNBTOWOGJO-UHFFFAOYSA-N 0 3 276.380 2.433 20 30 CEEDHN C=CCN1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000176523188 368247925 /nfs/dbraw/zinc/24/79/25/368247925.db2.gz BPLICDHIJDJNLS-UHFFFAOYSA-N 0 3 262.353 2.277 20 30 CEEDHN N#Cc1csc(CNCCNC(=O)c2cccs2)c1 ZINC000177686552 368278674 /nfs/dbraw/zinc/27/86/74/368278674.db2.gz JFTSICBPNGRVOL-UHFFFAOYSA-N 0 3 291.401 2.201 20 30 CEEDHN Cc1cccc([C@H](NCC(=O)NCC#N)C(C)(C)C)c1 ZINC000180797564 368396539 /nfs/dbraw/zinc/39/65/39/368396539.db2.gz QUTXGOZLMHSMOV-HNNXBMFYSA-N 0 3 273.380 2.312 20 30 CEEDHN C=CCCN(C)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000682430792 541664599 /nfs/dbraw/zinc/66/45/99/541664599.db2.gz RIHOYGPPMSUHGH-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN Cc1cnn(CCN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000182008793 368514776 /nfs/dbraw/zinc/51/47/76/368514776.db2.gz HZWNBUMKPCCABN-CQSZACIVSA-N 0 3 284.363 2.445 20 30 CEEDHN CSCC[C@H](CO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346142684 368558867 /nfs/dbraw/zinc/55/88/67/368558867.db2.gz AOKPQEPKZNLXIB-ZWNOBZJWSA-N 0 3 282.384 2.462 20 30 CEEDHN CCCN(CC(=O)N[C@](C)(C#N)C1CC1)CC(C)C ZINC000346589997 368726569 /nfs/dbraw/zinc/72/65/69/368726569.db2.gz DIYGCRNYZYJMLQ-OAHLLOKOSA-N 0 3 265.401 2.163 20 30 CEEDHN C=CC[C@H](CO)NCc1cc(OC)c(O)cc1Cl ZINC000639044251 370924701 /nfs/dbraw/zinc/92/47/01/370924701.db2.gz ILWMONPBCXREJD-SNVBAGLBSA-N 0 3 271.744 2.081 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C2CC2)CC1 ZINC000358160070 370930583 /nfs/dbraw/zinc/93/05/83/370930583.db2.gz UUXUHJYLNGRCRP-LBPRGKRZSA-N 0 3 265.401 2.125 20 30 CEEDHN C[C@H](CO)N1CCCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000346604360 368732246 /nfs/dbraw/zinc/73/22/46/368732246.db2.gz APDXOPAZFOZNBV-HUUCEWRRSA-N 0 3 287.407 2.008 20 30 CEEDHN C[C@@H](C#N)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000347897848 368822525 /nfs/dbraw/zinc/82/25/25/368822525.db2.gz KBUSNSOSCOOPPR-GOEBONIOSA-N 0 3 285.391 2.269 20 30 CEEDHN CC[C@@H]1[C@@H](C)CCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000185646801 368835934 /nfs/dbraw/zinc/83/59/34/368835934.db2.gz QDTCXLBEJOLHLR-GUTXKFCHSA-N 0 3 265.401 2.161 20 30 CEEDHN C[C@@H]1C[C@H](O)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000346734699 368787966 /nfs/dbraw/zinc/78/79/66/368787966.db2.gz RWMBCUDCXNUWMV-FVQBIDKESA-N 0 3 286.375 2.131 20 30 CEEDHN C#C[C@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000185346757 368792537 /nfs/dbraw/zinc/79/25/37/368792537.db2.gz QURCODDMAXDOAY-ZDUSSCGKSA-N 0 3 256.349 2.034 20 30 CEEDHN CCO[C@H]1C[C@@](CO)(NCCC(C)(C)C#N)C1(C)C ZINC000347186146 368800656 /nfs/dbraw/zinc/80/06/56/368800656.db2.gz DABDFABFQHVYDV-WFASDCNBSA-N 0 3 268.401 2.082 20 30 CEEDHN C=CCOCCCN1CC[C@@H](Oc2ccccn2)C1 ZINC000348049107 368874066 /nfs/dbraw/zinc/87/40/66/368874066.db2.gz INMBHTHKBYOHAX-CQSZACIVSA-N 0 3 262.353 2.127 20 30 CEEDHN C=CCOCCCN[C@H](C[S@](C)=O)c1ccccc1 ZINC000348049699 368875172 /nfs/dbraw/zinc/87/51/72/368875172.db2.gz JDCRHGPVGUAHSW-BEFAXECRSA-N 0 3 281.421 2.289 20 30 CEEDHN C=CCN(CCC(=O)N1CCOc2ccccc21)C1CC1 ZINC000348320189 369000374 /nfs/dbraw/zinc/00/03/74/369000374.db2.gz MZTIKJVZUMNYOE-UHFFFAOYSA-N 0 3 286.375 2.453 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000186699626 369021994 /nfs/dbraw/zinc/02/19/94/369021994.db2.gz IGRMEZBWMOTHSX-IAQYHMDHSA-N 0 3 262.353 2.233 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(OC)c(COC)c1 ZINC000186711137 369024904 /nfs/dbraw/zinc/02/49/04/369024904.db2.gz KJIUSGMHIPBGIG-WFASDCNBSA-N 0 3 279.380 2.429 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000186712606 369025794 /nfs/dbraw/zinc/02/57/94/369025794.db2.gz GMCQYWMVYTYUGQ-UKRRQHHQSA-N 0 3 288.391 2.401 20 30 CEEDHN C=CCN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000348437124 369045125 /nfs/dbraw/zinc/04/51/25/369045125.db2.gz CHVWALWJPIGWHI-HNNXBMFYSA-N 0 3 279.343 2.418 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN2CCCC3(CC3)C2)cc1 ZINC000186951011 369074665 /nfs/dbraw/zinc/07/46/65/369074665.db2.gz NXGMGCURYRJUDM-HNNXBMFYSA-N 0 3 256.349 2.468 20 30 CEEDHN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4cc(C#N)cs4)[C@H]1[C@H]3C2 ZINC000348555012 369087384 /nfs/dbraw/zinc/08/73/84/369087384.db2.gz NBNONISYYGOMQP-IXDBCEGASA-N 0 3 274.389 2.475 20 30 CEEDHN CC(C)[C@@H]1CN(C)CCN1CCOc1ccccc1C#N ZINC000348582475 369096249 /nfs/dbraw/zinc/09/62/49/369096249.db2.gz VCTVLGLECFJYNT-INIZCTEOSA-N 0 3 287.407 2.209 20 30 CEEDHN C[C@@H](NC[C@H](CO)c1cccnc1)c1cccc(C#N)c1 ZINC000348703630 369125467 /nfs/dbraw/zinc/12/54/67/369125467.db2.gz RGNSVJOSQAENLK-CXAGYDPISA-N 0 3 281.359 2.380 20 30 CEEDHN COc1cc(CN[C@@H]2CC[C@H](C#N)C2)cc(OC)c1OC ZINC000349831643 369416295 /nfs/dbraw/zinc/41/62/95/369416295.db2.gz UZGXQFKKGMSFKX-WCQYABFASA-N 0 3 290.363 2.494 20 30 CEEDHN C=CCCN(C)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000276456487 193338477 /nfs/dbraw/zinc/33/84/77/193338477.db2.gz QFKLULSVHUSQET-LBPRGKRZSA-N 0 3 264.344 2.338 20 30 CEEDHN C=CCC[C@H](O)CN1CCC(C(=O)OC(C)(C)C)CC1 ZINC000351546435 369639617 /nfs/dbraw/zinc/63/96/17/369639617.db2.gz VBLUVTANGIYOHO-AWEZNQCLSA-N 0 3 283.412 2.367 20 30 CEEDHN Cc1nccn1C[C@@H]1CCCN1Cc1cc(C#N)n(C)c1 ZINC000191425932 369711346 /nfs/dbraw/zinc/71/13/46/369711346.db2.gz UVMUGEDTAGHKOE-HNNXBMFYSA-N 0 3 283.379 2.066 20 30 CEEDHN C=CCC1(C(=O)N2CCC[C@H](N(C)C)C2)CCC1 ZINC000191102442 369678666 /nfs/dbraw/zinc/67/86/66/369678666.db2.gz AOYGMUWTLLOJAP-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN C[C@@H]1CC(O)C[C@H](C)N1CCOc1ccc(C#N)cc1 ZINC000191284301 369698009 /nfs/dbraw/zinc/69/80/09/369698009.db2.gz LAVQMGFJKVPNIG-NNQSOWQGSA-N 0 3 274.364 2.171 20 30 CEEDHN C=CCN(CCOC)Cc1ccc(NC(C)=O)cc1 ZINC000191761957 369739983 /nfs/dbraw/zinc/73/99/83/369739983.db2.gz HHFYMVFSSJYPKL-UHFFFAOYSA-N 0 3 262.353 2.279 20 30 CEEDHN C#CCCCC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000192043331 369767034 /nfs/dbraw/zinc/76/70/34/369767034.db2.gz SDLVRAYUGHTXNI-OAHLLOKOSA-N 0 3 258.365 2.209 20 30 CEEDHN C[C@H](CNCc1nc(C#N)cs1)N1CCC[C@H](C)C1 ZINC000352838587 369905028 /nfs/dbraw/zinc/90/50/28/369905028.db2.gz FVUHVGJZYUCGPN-NWDGAFQWSA-N 0 3 278.425 2.225 20 30 CEEDHN C=CC[C@H](CO)NCc1cnc(-c2ccco2)s1 ZINC000193208957 369905538 /nfs/dbraw/zinc/90/55/38/369905538.db2.gz KDVMZUJRHFTIHB-SNVBAGLBSA-N 0 3 264.350 2.430 20 30 CEEDHN Cc1cc(CN2C[C@@H](N3CCOCC3)C[C@H]2C)ccc1C#N ZINC000352878298 369928787 /nfs/dbraw/zinc/92/87/87/369928787.db2.gz SYRSUWMPHRXIHN-QAPCUYQASA-N 0 3 299.418 2.162 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)[C@H]1CCCN1C1CCCC1 ZINC000353293825 370108853 /nfs/dbraw/zinc/10/88/53/370108853.db2.gz HAHXTPULMRBGBW-CQSZACIVSA-N 0 3 277.412 2.402 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)c2cc(C#N)ccc2Cl)CCCN1C ZINC000354613204 370434209 /nfs/dbraw/zinc/43/42/09/370434209.db2.gz BQYFAHFUBXEODU-YGRLFVJLSA-N 0 3 291.782 2.424 20 30 CEEDHN N#CC[C@H](CC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000355116232 370508218 /nfs/dbraw/zinc/50/82/18/370508218.db2.gz RXPHJTGWQIFZRA-HZPDHXFCSA-N 0 3 297.402 2.427 20 30 CEEDHN COc1cc(CNCC2(CO)CCCC2)ccc1C#N ZINC000234905163 370548651 /nfs/dbraw/zinc/54/86/51/370548651.db2.gz NDVUZVIVRKNJRO-UHFFFAOYSA-N 0 3 274.364 2.209 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000638472671 370556168 /nfs/dbraw/zinc/55/61/68/370556168.db2.gz VAFZMHQHSZRJOA-CZUORRHYSA-N 0 3 270.376 2.298 20 30 CEEDHN C=C(C)CN(CC)C(=O)NC[C@H]1CCCN1CCC ZINC000358286453 370993290 /nfs/dbraw/zinc/99/32/90/370993290.db2.gz BBMOFPQYJLAYQT-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cnc(OC)s1 ZINC000639145913 371021328 /nfs/dbraw/zinc/02/13/28/371021328.db2.gz OACPDSIHTOFECB-PWSUYJOCSA-N 0 3 268.382 2.223 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000246897520 371026611 /nfs/dbraw/zinc/02/66/11/371026611.db2.gz VLDUEYMMXHBRAY-GVDBMIGSSA-N 0 3 286.375 2.093 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCCC[C@@H]1C ZINC000358407928 371053835 /nfs/dbraw/zinc/05/38/35/371053835.db2.gz GQXJUMPYIHUNRZ-KGLIPLIRSA-N 0 3 265.401 2.259 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC(C)(C)CCC#N ZINC000358678326 371169247 /nfs/dbraw/zinc/16/92/47/371169247.db2.gz DQQROZQYFZTQIM-KBPBESRZSA-N 0 3 294.443 2.298 20 30 CEEDHN C=CCn1cc(CNCCc2ccc(C)cc2)nn1 ZINC000639273375 371173729 /nfs/dbraw/zinc/17/37/29/371173729.db2.gz CGQMGHJZTMBCQK-UHFFFAOYSA-N 0 3 256.353 2.105 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)CCC#N)CCN1C ZINC000358687153 371174998 /nfs/dbraw/zinc/17/49/98/371174998.db2.gz ODGQXOXZDYQOJE-ZIAGYGMSSA-N 0 3 294.443 2.440 20 30 CEEDHN CC[C@@H](C)CN(CC)CC(=O)N[C@](C)(C#N)C(C)C 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285.395 2.111 20 30 CEEDHN CN1CCN(c2cccc(C#N)n2)C[C@H]1Cc1ccccc1 ZINC000286377985 375932483 /nfs/dbraw/zinc/93/24/83/375932483.db2.gz DOJXEQHIZXODBL-QGZVFWFLSA-N 0 3 292.386 2.316 20 30 CEEDHN C=CCCCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415899645 376028720 /nfs/dbraw/zinc/02/87/20/376028720.db2.gz SDMDXPBOFJNKNM-UHFFFAOYSA-N 0 3 259.353 2.420 20 30 CEEDHN CN(CCN(C)C1CC1)c1nc(Cl)c(C#N)s1 ZINC000286880560 376091279 /nfs/dbraw/zinc/09/12/79/376091279.db2.gz OBHQMDKMOUDHSB-UHFFFAOYSA-N 0 3 270.789 2.199 20 30 CEEDHN C=CCN(CC1CCCCC1)C(=O)NCCNCCOC ZINC000418550200 376316323 /nfs/dbraw/zinc/31/63/23/376316323.db2.gz LFHJDGMYHVQWNR-UHFFFAOYSA-N 0 3 297.443 2.000 20 30 CEEDHN C=C(C)CN(C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418551371 376316537 /nfs/dbraw/zinc/31/65/37/376316537.db2.gz JECWSUVMXNAEQD-UHFFFAOYSA-N 0 3 259.353 2.007 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418648543 376317588 /nfs/dbraw/zinc/31/75/88/376317588.db2.gz ZOVLUBUZLKWTEG-HNNXBMFYSA-N 0 3 273.380 2.091 20 30 CEEDHN C=C[C@@H](C)NC(=O)NC[C@H](N)c1ccccc1CC ZINC000418644549 376317791 /nfs/dbraw/zinc/31/77/91/376317791.db2.gz CGZGFDLIORYMHC-RISCZKNCSA-N 0 3 261.369 2.123 20 30 CEEDHN Cc1nnc(CCNCc2ccc(C#N)cc2)s1 ZINC000289695002 376449534 /nfs/dbraw/zinc/44/95/34/376449534.db2.gz DEWTZKHTQOFRJQ-UHFFFAOYSA-N 0 3 258.350 2.051 20 30 CEEDHN C[C@@H](CNC(=O)NCC1(C#N)CCC1)N1CCC[C@H](C)C1 ZINC000419419265 376450783 /nfs/dbraw/zinc/45/07/83/376450783.db2.gz IVHBVNPPRPDMNG-KBPBESRZSA-N 0 3 292.427 2.100 20 30 CEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCC1(C#N)CCC1 ZINC000419433671 376453777 /nfs/dbraw/zinc/45/37/77/376453777.db2.gz IOJUOZXILDKIRB-ZIAGYGMSSA-N 0 3 292.427 2.100 20 30 CEEDHN Cn1cc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)cc1C#N ZINC000289867493 376537428 /nfs/dbraw/zinc/53/74/28/376537428.db2.gz OVIAUUCPTRJYGJ-MSOLQXFVSA-N 0 3 295.386 2.153 20 30 CEEDHN C=C[C@H](CO)N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000289995496 376594441 /nfs/dbraw/zinc/59/44/41/376594441.db2.gz YSJIJEVKTAVHNU-VHDGCEQUSA-N 0 3 261.365 2.369 20 30 CEEDHN CC(C)[C@](C)(O)CNCc1ccc(C#N)cc1F ZINC000311112276 376651345 /nfs/dbraw/zinc/65/13/45/376651345.db2.gz SAPIDMZKDRABKB-CQSZACIVSA-N 0 3 250.317 2.194 20 30 CEEDHN CC(C)(O)CCNC1CC(C#N)(c2ccccc2)C1 ZINC000311680561 376682610 /nfs/dbraw/zinc/68/26/10/376682610.db2.gz JCSAWNKCTNJCMS-UHFFFAOYSA-N 0 3 258.365 2.361 20 30 CEEDHN CN(C)[C@H]1CCCN(C(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000264638971 190124730 /nfs/dbraw/zinc/12/47/30/190124730.db2.gz YXOSKHFGJCBDFU-FDMDGMSGSA-N 0 3 283.375 2.124 20 30 CEEDHN C=CCOCCN1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000420996275 376769860 /nfs/dbraw/zinc/76/98/60/376769860.db2.gz ANUWADHONVUQTN-KGLIPLIRSA-N 0 3 283.412 2.489 20 30 CEEDHN CCC#C[C@@H](C)N(C)CCn1cc(Br)cn1 ZINC000685060322 542115309 /nfs/dbraw/zinc/11/53/09/542115309.db2.gz JQRSFTYBQBRVTA-LLVKDONJSA-N 0 3 284.201 2.379 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000320601479 376825655 /nfs/dbraw/zinc/82/56/55/376825655.db2.gz CLMKFYHMAJQPOH-ZDUSSCGKSA-N 0 3 264.325 2.320 20 30 CEEDHN C=CCOc1cccc(CN(C)C[C@H](O)C2CC2)c1 ZINC000685461135 542143017 /nfs/dbraw/zinc/14/30/17/542143017.db2.gz QQQYZWJSNIODQC-INIZCTEOSA-N 0 3 261.365 2.454 20 30 CEEDHN CC(C)N(Cc1cnc2ccc(C#N)cn12)[C@H]1CCOC1 ZINC000562281838 376856932 /nfs/dbraw/zinc/85/69/32/376856932.db2.gz WLQIZGUPOYMQBG-AWEZNQCLSA-N 0 3 284.363 2.205 20 30 CEEDHN CC(=O)Nc1ccn([C@@H]2CCN(CCc3ccccn3)C2)n1 ZINC000328620461 376863409 /nfs/dbraw/zinc/86/34/09/376863409.db2.gz HAXJFXZVWLDBLM-OAHLLOKOSA-N 0 3 299.378 2.376 20 30 CEEDHN Cc1csc([C@H](C)NC(=O)N[C@@H]2CCN(C3CC3)C2)n1 ZINC000329315305 376944765 /nfs/dbraw/zinc/94/47/65/376944765.db2.gz RXWWRXIUULIBLN-WDEREUQCSA-N 0 3 294.424 2.253 20 30 CEEDHN C=CCN(CC(F)(F)F)C(=O)[C@H]1CNCc2ccccc21 ZINC000563154666 377108871 /nfs/dbraw/zinc/10/88/71/377108871.db2.gz SGLZBBSIWAVDNS-ZDUSSCGKSA-N 0 3 298.308 2.450 20 30 CEEDHN CCN1CCC[C@H](NC(=O)c2cccc(OC)c2OC)C1 ZINC000330505920 377164387 /nfs/dbraw/zinc/16/43/87/377164387.db2.gz KUOJLAWBJVTVPL-LBPRGKRZSA-N 0 3 292.379 2.493 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(C#N)cc1 ZINC000264804127 190135530 /nfs/dbraw/zinc/13/55/30/190135530.db2.gz ZHHXUTWAVWCOKM-OAHLLOKOSA-N 0 3 271.364 2.162 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cccc(C#N)c1 ZINC000330962448 377214674 /nfs/dbraw/zinc/21/46/74/377214674.db2.gz AJXQSWDZAGLLJB-CHWSQXEVSA-N 0 3 271.364 2.047 20 30 CEEDHN CCCN1CCN(c2cccc(-n3cccn3)c2C#N)CC1 ZINC000563418933 377219583 /nfs/dbraw/zinc/21/95/83/377219583.db2.gz VLMGSXDISRGSAR-UHFFFAOYSA-N 0 3 295.390 2.276 20 30 CEEDHN N#Cc1ccccc1N1CCN(CCC2CCOCC2)CC1 ZINC000292539045 377251247 /nfs/dbraw/zinc/25/12/47/377251247.db2.gz GICOSOPLQSOJFW-UHFFFAOYSA-N 0 3 299.418 2.497 20 30 CEEDHN C[C@]1(CO)CCC[C@@H]1NCc1cccc(C#N)c1F ZINC000331169293 377310724 /nfs/dbraw/zinc/31/07/24/377310724.db2.gz NTKKZCWBCKDGJR-DZGCQCFKSA-N 0 3 262.328 2.338 20 30 CEEDHN Cc1ccnc(N2CC[C@]3(C2)CCCN(C)C3)c1C#N ZINC000292854977 377315517 /nfs/dbraw/zinc/31/55/17/377315517.db2.gz RRMANVKYRPNEMG-MRXNPFEDSA-N 0 3 270.380 2.184 20 30 CEEDHN CSC1(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292872576 377324988 /nfs/dbraw/zinc/32/49/88/377324988.db2.gz WNVIRYXVYSLVFE-CYBMUJFWSA-N 0 3 289.404 2.302 20 30 CEEDHN CCN1CCC(NC(=O)N2CCC(CCC#N)CC2)CC1 ZINC000563954917 377326470 /nfs/dbraw/zinc/32/64/70/377326470.db2.gz SGEOAGZEMLJHRY-UHFFFAOYSA-N 0 3 292.427 2.196 20 30 CEEDHN C[C@H]1CCC[C@@]1(O)CNCc1ccc(C#N)s1 ZINC000292892970 377338040 /nfs/dbraw/zinc/33/80/40/377338040.db2.gz DATJXOHWJMWBJQ-GXFFZTMASA-N 0 3 250.367 2.260 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CCOCC1 ZINC000424705585 377285800 /nfs/dbraw/zinc/28/58/00/377285800.db2.gz AHJQGRVPNNNDSK-KGLIPLIRSA-N 0 3 292.423 2.101 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N(CCN(C)C)CC(C)C ZINC000331124215 377291304 /nfs/dbraw/zinc/29/13/04/377291304.db2.gz ODBZANACZSXNMQ-UHFFFAOYSA-N 0 3 277.368 2.120 20 30 CEEDHN C#CCN(C)CCCNc1ccc(C(F)(F)F)cn1 ZINC000292901003 377341973 /nfs/dbraw/zinc/34/19/73/377341973.db2.gz WTOWDGVRJSWZDO-UHFFFAOYSA-N 0 3 271.286 2.467 20 30 CEEDHN CC[C@H](CNC(=O)C(C#N)CCc1ccccc1)OC ZINC000427920219 377467970 /nfs/dbraw/zinc/46/79/70/377467970.db2.gz ASRJWYNTGGDKKK-LSDHHAIUSA-N 0 3 274.364 2.300 20 30 CEEDHN CCN1CCN(c2ccc(NCCC#N)c(C)c2)CC1 ZINC000564858407 377480440 /nfs/dbraw/zinc/48/04/40/377480440.db2.gz BMDBKWWJOWDQFC-UHFFFAOYSA-N 0 3 272.396 2.463 20 30 CEEDHN C=CCC(C)(C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000429842135 377521623 /nfs/dbraw/zinc/52/16/23/377521623.db2.gz GMHDKIURPZNRMU-CYBMUJFWSA-N 0 3 252.402 2.437 20 30 CEEDHN C=CCCC[C@H](C)N1CC[C@@H](CS(C)(=O)=O)C1 ZINC000429385901 377515321 /nfs/dbraw/zinc/51/53/21/377515321.db2.gz ITVYGTRPFGFXDO-QWHCGFSZSA-N 0 3 259.415 2.098 20 30 CEEDHN C[C@@H]1CC[C@@H](N(C)CC(=O)NC2(C#N)CCCCC2)C1 ZINC000429587157 377517094 /nfs/dbraw/zinc/51/70/94/377517094.db2.gz DZHIKVQKEVRKEK-ZIAGYGMSSA-N 0 3 277.412 2.449 20 30 CEEDHN Cc1csc(NC(=O)NCC2=CCN(C)CC2)c1C#N ZINC000565163823 377581072 /nfs/dbraw/zinc/58/10/72/377581072.db2.gz RVDASMVRWRGTDA-UHFFFAOYSA-N 0 3 290.392 2.312 20 30 CEEDHN Cc1csc(NC(=O)NC(C)(C)CN(C)C)c1C#N ZINC000565164085 377582085 /nfs/dbraw/zinc/58/20/85/377582085.db2.gz SQJOXSFXOBUFLH-UHFFFAOYSA-N 0 3 280.397 2.390 20 30 CEEDHN CC[C@](C)(C#N)NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000565181480 377592984 /nfs/dbraw/zinc/59/29/84/377592984.db2.gz MFZKTRBMGYAMQT-DOTOQJQBSA-N 0 3 285.391 2.317 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)/C=C/CN(C)C ZINC000265637229 190195464 /nfs/dbraw/zinc/19/54/64/190195464.db2.gz KZEJLBYBEQIYTC-RMKNXTFCSA-N 0 3 283.375 2.191 20 30 CEEDHN C[C@H](CC#N)N(C)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000431852977 377677455 /nfs/dbraw/zinc/67/74/55/377677455.db2.gz ZRGSZJJYOMNPOY-HIFRSBDPSA-N 0 3 273.380 2.440 20 30 CEEDHN Cc1cc(CN2CC[C@H](Nc3ncccn3)C2)ccc1C#N ZINC000566241938 377748038 /nfs/dbraw/zinc/74/80/38/377748038.db2.gz LCGPZEHGDWYMEG-INIZCTEOSA-N 0 3 293.374 2.343 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000333209406 377756860 /nfs/dbraw/zinc/75/68/60/377756860.db2.gz PJWWBOXVJMDDSP-XJKSGUPXSA-N 0 3 275.396 2.061 20 30 CEEDHN CCC(CC)Nc1ccncc1NC(=O)[C@@H](C)C#N ZINC000567247907 377816062 /nfs/dbraw/zinc/81/60/62/377816062.db2.gz VJABGEQJYWXNKE-JTQLQIEISA-N 0 3 260.341 2.202 20 30 CEEDHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1cc(C#N)ccn1 ZINC000436005843 377817040 /nfs/dbraw/zinc/81/70/40/377817040.db2.gz LYJCSLJQSXNDIN-MEBBXXQBSA-N 0 3 295.298 2.120 20 30 CEEDHN C=CCN(Cc1cccs1)CC1(O)CCOCC1 ZINC000434878329 377799761 /nfs/dbraw/zinc/79/97/61/377799761.db2.gz DCLPTQACJRFBQM-UHFFFAOYSA-N 0 3 267.394 2.278 20 30 CEEDHN C=C(C)COCCNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000439782927 377927989 /nfs/dbraw/zinc/92/79/89/377927989.db2.gz NWBAZZVNXGLVFL-HNNXBMFYSA-N 0 3 280.412 2.102 20 30 CEEDHN N#CCCCCNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000439839836 377928643 /nfs/dbraw/zinc/92/86/43/377928643.db2.gz HEKOFRLOQPGTEL-CQSZACIVSA-N 0 3 263.385 2.203 20 30 CEEDHN C=CCOc1ccccc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000265961029 190219095 /nfs/dbraw/zinc/21/90/95/190219095.db2.gz GTXLUIOCYLWSDJ-CQSZACIVSA-N 0 3 288.391 2.418 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cc(CCC)on2)CC1 ZINC000294613325 377999787 /nfs/dbraw/zinc/99/97/87/377999787.db2.gz NBDMHMDIASEFEH-UHFFFAOYSA-N 0 3 291.395 2.397 20 30 CEEDHN C[C@@H](N[C@H]1CCOC1(C)C)C(=O)Nc1ccccc1C#N ZINC000295234022 378063867 /nfs/dbraw/zinc/06/38/67/378063867.db2.gz OPRAFXNYVFKGMA-RISCZKNCSA-N 0 3 287.363 2.042 20 30 CEEDHN C=CCN(CC=C)CCC(=O)Nc1ccc(C)cn1 ZINC000446704035 378086046 /nfs/dbraw/zinc/08/60/46/378086046.db2.gz ZACVOPBVWRBRMO-UHFFFAOYSA-N 0 3 259.353 2.393 20 30 CEEDHN CCCCN1CCCC[C@@H]1CNC(=O)[C@@]1(C#N)C[C@H]1C ZINC000448842617 378189442 /nfs/dbraw/zinc/18/94/42/378189442.db2.gz DVCBPXPOGFGBKQ-IIAWOOMASA-N 0 3 277.412 2.307 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(-n2ccnc2)cc1 ZINC000449519837 378214974 /nfs/dbraw/zinc/21/49/74/378214974.db2.gz NXLWYOAZFUYKGR-CVEARBPZSA-N 0 3 269.348 2.305 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cn2ccccc2n1 ZINC000449547638 378216745 /nfs/dbraw/zinc/21/67/45/378216745.db2.gz JEPSMOUIIITZOB-KGLIPLIRSA-N 0 3 257.337 2.158 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000448608304 378175858 /nfs/dbraw/zinc/17/58/58/378175858.db2.gz VMXSISKUMDKCEX-OAHLLOKOSA-N 0 3 274.408 2.488 20 30 CEEDHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000450026453 378274148 /nfs/dbraw/zinc/27/41/48/378274148.db2.gz WEFGEKRQTUAWHF-PBHICJAKSA-N 0 3 289.423 2.403 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](SC)C1 ZINC000296236667 378461921 /nfs/dbraw/zinc/46/19/21/378461921.db2.gz KWOPRCGCLXLDIF-CHWSQXEVSA-N 0 3 268.426 2.013 20 30 CEEDHN C=C(C)Cn1c(C)nnc1N1CCN([C@H](C)CC)CC1 ZINC000296140381 378428768 /nfs/dbraw/zinc/42/87/68/378428768.db2.gz XSHMKYMQZCZQOP-CYBMUJFWSA-N 0 3 277.416 2.083 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC1CC(c2ccccc2)C1 ZINC000296168060 378437610 /nfs/dbraw/zinc/43/76/10/378437610.db2.gz AGWSMONNIWTLQB-UHFFFAOYSA-N 0 3 299.418 2.187 20 30 CEEDHN CC1CCN(CCNC(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000298918988 378858388 /nfs/dbraw/zinc/85/83/88/378858388.db2.gz AJFLRTXMRNGZRX-VOTSOKGWSA-N 0 3 297.402 2.420 20 30 CEEDHN C[C@@H]1C[C@H](N(C)c2ccc(C#N)cc2[N+](=O)[O-])CCN1C ZINC000266275183 190245179 /nfs/dbraw/zinc/24/51/79/190245179.db2.gz RWTSUSDZNMVLBU-DGCLKSJQSA-N 0 3 288.351 2.385 20 30 CEEDHN C[C@H]1C[C@@H](N(C)c2ccc(C#N)cc2[N+](=O)[O-])CCN1C ZINC000266275182 190244927 /nfs/dbraw/zinc/24/49/27/190244927.db2.gz RWTSUSDZNMVLBU-AAEUAGOBSA-N 0 3 288.351 2.385 20 30 CEEDHN C#CCN(C)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000278557618 194042950 /nfs/dbraw/zinc/04/29/50/194042950.db2.gz MICWZGKUICFYKQ-UHFFFAOYSA-N 0 3 289.379 2.032 20 30 CEEDHN C=CCC(C)(C)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000507570857 379105004 /nfs/dbraw/zinc/10/50/04/379105004.db2.gz UEMBNENMKGVMLX-AWEZNQCLSA-N 0 3 282.428 2.206 20 30 CEEDHN CC[C@H](C)N(CCO)Cc1ccc(C#N)c(F)c1 ZINC000347451774 218239038 /nfs/dbraw/zinc/23/90/38/218239038.db2.gz IBIUYXLEZGGCGB-NSHDSACASA-N 0 3 250.317 2.290 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H]1C[C@H](OC)C1(C)C ZINC000300648379 379177414 /nfs/dbraw/zinc/17/74/14/379177414.db2.gz QIBOTFLFMYADNT-CABCVRRESA-N 0 3 274.364 2.470 20 30 CEEDHN C=C(C)CN1CCC(Nc2ncccc2C#N)CC1 ZINC000301171624 379210352 /nfs/dbraw/zinc/21/03/52/379210352.db2.gz KFMVVGPABDFNIH-UHFFFAOYSA-N 0 3 256.353 2.406 20 30 CEEDHN C[C@@H](O)CN(Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000515541562 379230410 /nfs/dbraw/zinc/23/04/10/379230410.db2.gz HIFGAVIMJWKHIK-CQSZACIVSA-N 0 3 283.375 2.280 20 30 CEEDHN CN(C)[C@H](CNc1ccc(C#N)nn1)c1cccc(F)c1 ZINC000301853563 379307361 /nfs/dbraw/zinc/30/73/61/379307361.db2.gz XYFYDHLHNVUODJ-CQSZACIVSA-N 0 3 285.326 2.202 20 30 CEEDHN CC1(C)CN(c2ccc(C#N)c(Cl)c2)CCN1CCO ZINC000302513233 379387934 /nfs/dbraw/zinc/38/79/34/379387934.db2.gz GPDUGSRNLHYXAE-UHFFFAOYSA-N 0 3 293.798 2.105 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)NCC#Cc2ccccc2)CCN1C ZINC000266694192 190275941 /nfs/dbraw/zinc/27/59/41/190275941.db2.gz UYUMULHDBZJTCZ-RDJZCZTQSA-N 0 3 299.418 2.162 20 30 CEEDHN CC(=O)NCC[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000347646102 218304681 /nfs/dbraw/zinc/30/46/81/218304681.db2.gz NNAUPXOOLLTWEE-INIZCTEOSA-N 0 3 285.391 2.296 20 30 CEEDHN CC(C)[C@H]1CN(CC#N)CCN1Cc1ccccc1 ZINC000528635927 380036688 /nfs/dbraw/zinc/03/66/88/380036688.db2.gz BGLYYJIIXMBTAF-MRXNPFEDSA-N 0 3 257.381 2.352 20 30 CEEDHN C=CCOCCCN1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000470722657 380070505 /nfs/dbraw/zinc/07/05/05/380070505.db2.gz KOWLBTRGZCQRMO-KKUMJFAQSA-N 0 3 281.396 2.385 20 30 CEEDHN C=CCc1cc(CN2C[C@@H](O)C[C@@H]2C)cc(OC)c1O ZINC000471809190 380073135 /nfs/dbraw/zinc/07/31/35/380073135.db2.gz HIXHWQWBEMAXEM-FZMZJTMJSA-N 0 3 277.364 2.084 20 30 CEEDHN C[C@@H]1CN(CCCCNc2ncccc2C#N)C[C@H](C)O1 ZINC000267978724 190367046 /nfs/dbraw/zinc/36/70/46/190367046.db2.gz XGWNDRDXWNUIJH-OKILXGFUSA-N 0 3 288.395 2.255 20 30 CEEDHN C[C@H]1CN(CCCCNc2ncccc2C#N)C[C@H](C)O1 ZINC000267978723 190367165 /nfs/dbraw/zinc/36/71/65/190367165.db2.gz XGWNDRDXWNUIJH-KBPBESRZSA-N 0 3 288.395 2.255 20 30 CEEDHN C#CCN(CC)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000268174996 190383634 /nfs/dbraw/zinc/38/36/34/190383634.db2.gz RJYVERYTECAQNB-NVXWUHKLSA-N 0 3 299.418 2.314 20 30 CEEDHN C[C@@H]1C[C@H](Nc2nccnc2C#N)CN1Cc1ccccc1 ZINC000268212200 190386823 /nfs/dbraw/zinc/38/68/23/190386823.db2.gz ZUAKVDHXAPCJAX-HIFRSBDPSA-N 0 3 293.374 2.423 20 30 CEEDHN N#CCc1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1 ZINC000530024038 380192740 /nfs/dbraw/zinc/19/27/40/380192740.db2.gz RZIRKWYHJWJLTK-QGZVFWFLSA-N 0 3 297.402 2.499 20 30 CEEDHN C#Cc1ccc(CN[C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000279072039 194271742 /nfs/dbraw/zinc/27/17/42/194271742.db2.gz RTIDZDZPAJGONB-QGZVFWFLSA-N 0 3 277.371 2.431 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1cccc(C(F)F)c1 ZINC000491728243 380347658 /nfs/dbraw/zinc/34/76/58/380347658.db2.gz LYJNHLGBHPKRFS-UHFFFAOYSA-N 0 3 294.345 2.238 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1[C@H](C)C[C@@H]1C ZINC000547768938 380468062 /nfs/dbraw/zinc/46/80/62/380468062.db2.gz WDJJXIAWZOJJRT-TXEJJXNPSA-N 0 3 260.337 2.428 20 30 CEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cscc1C#N ZINC000334531276 380543526 /nfs/dbraw/zinc/54/35/26/380543526.db2.gz RMPIPKVYVVTHFT-OLZOCXBDSA-N 0 3 289.404 2.319 20 30 CEEDHN N#Cc1cccc(C2(NCCCN3CCCC3=O)CC2)c1 ZINC000551412194 380643423 /nfs/dbraw/zinc/64/34/23/380643423.db2.gz RXGOZVWJTYYTRV-UHFFFAOYSA-N 0 3 283.375 2.149 20 30 CEEDHN N#CCNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000554835896 380798129 /nfs/dbraw/zinc/79/81/29/380798129.db2.gz PBDRDHNSWGWXGG-MUJYYYPQSA-N 0 3 283.375 2.037 20 30 CEEDHN CC#CCN1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000493949655 381151161 /nfs/dbraw/zinc/15/11/61/381151161.db2.gz SCBZVKVVVGJXDF-QWHCGFSZSA-N 0 3 266.385 2.245 20 30 CEEDHN C=CCCC[C@H](C)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000494591107 381159807 /nfs/dbraw/zinc/15/98/07/381159807.db2.gz UPMFWAXEQFQYEN-QWHCGFSZSA-N 0 3 252.358 2.258 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495738956 381183011 /nfs/dbraw/zinc/18/30/11/381183011.db2.gz NSVLROZPHYQFTR-CHWSQXEVSA-N 0 3 266.385 2.387 20 30 CEEDHN CC#CCN1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496027129 381193820 /nfs/dbraw/zinc/19/38/20/381193820.db2.gz GYRLMOUPYIRKFW-ZIAGYGMSSA-N 0 3 280.412 2.492 20 30 CEEDHN C=CCN(CCOC)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000496088528 381196889 /nfs/dbraw/zinc/19/68/89/381196889.db2.gz SJJDUWYUZGZTBY-GFCCVEGCSA-N 0 3 272.389 2.034 20 30 CEEDHN CN(C)C(=O)O[C@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000496325656 381208492 /nfs/dbraw/zinc/20/84/92/381208492.db2.gz NUWZLMBVCPOPEC-ZDUSSCGKSA-N 0 3 281.400 2.479 20 30 CEEDHN CN(CCNC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C#N)C1 ZINC000496401987 381212781 /nfs/dbraw/zinc/21/27/81/381212781.db2.gz VOTTXDBZXPIWPO-VXGBXAGGSA-N 0 3 267.373 2.135 20 30 CEEDHN C[C@@H](CCC#N)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000496560646 381219558 /nfs/dbraw/zinc/21/95/58/381219558.db2.gz AHRAKWVWZQFMMW-MELADBBJSA-N 0 3 293.411 2.477 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000496621793 381221230 /nfs/dbraw/zinc/22/12/30/381221230.db2.gz HKEZUISJFMUACH-GHMZBOCLSA-N 0 3 295.383 2.050 20 30 CEEDHN C[C@@H]1C[C@@H](NCCC#N)CCN1C(=O)OC(C)(C)C ZINC000496964927 381235427 /nfs/dbraw/zinc/23/54/27/381235427.db2.gz UXYBXHJLOJJHHE-NEPJUHHUSA-N 0 3 267.373 2.278 20 30 CEEDHN COC1([C@@H](C)NCC(=O)Nc2sccc2C#N)CCC1 ZINC000412021340 533015291 /nfs/dbraw/zinc/01/52/91/533015291.db2.gz MDDOSBVNZMEWKB-SNVBAGLBSA-N 0 3 293.392 2.105 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000335251879 208030419 /nfs/dbraw/zinc/03/04/19/208030419.db2.gz WKPDHNRCEWXMAI-MNOVXSKESA-N 0 3 272.352 2.081 20 30 CEEDHN N#Cc1cnn(C[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000289430342 197343239 /nfs/dbraw/zinc/34/32/39/197343239.db2.gz RVCMUGQYJQSQDW-KRWDZBQOSA-N 0 3 296.374 2.046 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2cnc3ccc(C#N)cn23)C[C@H]1C ZINC000353801319 220336289 /nfs/dbraw/zinc/33/62/89/220336289.db2.gz DYOGRMNWLHHQAZ-ZIAGYGMSSA-N 0 3 297.406 2.120 20 30 CEEDHN CC(C#N)C(=O)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000347067489 533110550 /nfs/dbraw/zinc/11/05/50/533110550.db2.gz KODAFGPBQFMRDI-KKTNHOPESA-N 0 3 283.375 2.004 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000335931155 533109497 /nfs/dbraw/zinc/10/94/97/533109497.db2.gz KODAYVVZRHMBML-STQMWFEESA-N 0 3 282.347 2.187 20 30 CEEDHN CC(C#N)C(=O)NCCOc1ccccc1C(F)(F)F ZINC000347093692 533114714 /nfs/dbraw/zinc/11/47/14/533114714.db2.gz BJFLUUNGMIPGQD-VIFPVBQESA-N 0 3 286.253 2.360 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000347073454 533115769 /nfs/dbraw/zinc/11/57/69/533115769.db2.gz QCSITQDHMQFFRL-QWRGUYRKSA-N 0 3 274.320 2.012 20 30 CEEDHN COc1ccc2c(c1)C[C@@H](NCC1(C#N)CC1)CC2 ZINC000575069427 335061739 /nfs/dbraw/zinc/06/17/39/335061739.db2.gz DERMWKVRSNJMDN-AWEZNQCLSA-N 0 3 256.349 2.446 20 30 CEEDHN CC(C)(C#N)CCCN1CC[C@@H](N2CCCC2=O)C1 ZINC000336798951 262397129 /nfs/dbraw/zinc/39/71/29/262397129.db2.gz GYFCXPVYPDECQO-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN CO[C@@H]1CCN(CCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000281582106 195296159 /nfs/dbraw/zinc/29/61/59/195296159.db2.gz DJXLETVMPZGDGT-XJKSGUPXSA-N 0 3 274.364 2.436 20 30 CEEDHN COc1cc(CNC[C@@](C)(O)c2ccco2)ccc1C#N ZINC000281659728 195325421 /nfs/dbraw/zinc/32/54/21/195325421.db2.gz KRTSPRQJHWDFQT-MRXNPFEDSA-N 0 3 286.331 2.157 20 30 CEEDHN COc1ccc(Br)c(CNC(=O)C(C)C#N)c1 ZINC000347032058 533259337 /nfs/dbraw/zinc/25/93/37/533259337.db2.gz FRPKVOPFMIOXPC-MRVPVSSYSA-N 0 3 297.152 2.234 20 30 CEEDHN CN(C)CCSCc1c(C#N)cccc1[N+](=O)[O-] ZINC000413004178 394458883 /nfs/dbraw/zinc/45/88/83/394458883.db2.gz YTBOPVPKACOIGC-UHFFFAOYSA-N 0 3 265.338 2.261 20 30 CEEDHN CCCN(C)CC(=O)N(CCC#N)CCC(C)C ZINC000355638545 394483989 /nfs/dbraw/zinc/48/39/89/394483989.db2.gz OJRHMTLRMYKINC-UHFFFAOYSA-N 0 3 253.390 2.117 20 30 CEEDHN CC(C)[C@H](C)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000030148734 394484494 /nfs/dbraw/zinc/48/44/94/394484494.db2.gz DCEFZACJQPDHSN-LBPRGKRZSA-N 0 3 259.353 2.473 20 30 CEEDHN Cc1nn(C)c(C)c1CCNCc1ccc(C#N)c(F)c1 ZINC000421334260 394501725 /nfs/dbraw/zinc/50/17/25/394501725.db2.gz PSTRBYZWJLKOAG-UHFFFAOYSA-N 0 3 286.354 2.380 20 30 CEEDHN CN(C)CCN(Cc1ccco1)c1ncc(C#N)cc1F ZINC000413202433 394503752 /nfs/dbraw/zinc/50/37/52/394503752.db2.gz WKAPPRKMRYSTRZ-UHFFFAOYSA-N 0 3 288.326 2.254 20 30 CEEDHN C[C@]1(CNC(=O)N[C@@H]2CCc3[nH]cnc3C2)CCCS1 ZINC000329635191 394578635 /nfs/dbraw/zinc/57/86/35/394578635.db2.gz XNFAJBASCYNDGV-QMTHXVAHSA-N 0 3 294.424 2.056 20 30 CEEDHN C[C@]1(CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)CCCS1 ZINC000329635191 394578637 /nfs/dbraw/zinc/57/86/37/394578637.db2.gz XNFAJBASCYNDGV-QMTHXVAHSA-N 0 3 294.424 2.056 20 30 CEEDHN N#Cc1cccc(CNCc2ccc(-n3cncn3)cc2)c1 ZINC000066971955 394579088 /nfs/dbraw/zinc/57/90/88/394579088.db2.gz FPEKRCOFKGLJTP-UHFFFAOYSA-N 0 3 289.342 2.429 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CC1(O)CCCC1 ZINC000329825781 394588475 /nfs/dbraw/zinc/58/84/75/394588475.db2.gz IJBKGJWTJIMMCJ-DGCLKSJQSA-N 0 3 266.385 2.121 20 30 CEEDHN C[C@H](C(=O)N[C@H]1CCc2c[nH]nc2C1)N1[C@H](C)CC[C@@H]1C ZINC000329867474 394590515 /nfs/dbraw/zinc/59/05/15/394590515.db2.gz WBBPUCXHEJOWPD-CZXHOFHRSA-N 0 3 290.411 2.485 20 30 CEEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)C(C)(C)C#N)C1 ZINC000048920248 394537199 /nfs/dbraw/zinc/53/71/99/394537199.db2.gz NMEFHGHBPRYMEN-LBPRGKRZSA-N 0 3 265.401 2.163 20 30 CEEDHN CCCN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000049480457 394548527 /nfs/dbraw/zinc/54/85/27/394548527.db2.gz BGXMUJBEHBRQCX-LBPRGKRZSA-N 0 3 251.374 2.059 20 30 CEEDHN C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@H](C2CC2)C1 ZINC000328918852 394557087 /nfs/dbraw/zinc/55/70/87/394557087.db2.gz BKTBRQUOAJVURG-KOLCDFICSA-N 0 3 265.357 2.140 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000334282642 394670744 /nfs/dbraw/zinc/67/07/44/394670744.db2.gz IGEHCDHGDBFSMV-CJNGLKHVSA-N 0 3 277.412 2.259 20 30 CEEDHN CCN1CCC[C@H](NC(=O)NCc2cccc(OC)c2)C1 ZINC000330470293 394614079 /nfs/dbraw/zinc/61/40/79/394614079.db2.gz ANQWEAZKGBBBPW-AWEZNQCLSA-N 0 3 291.395 2.183 20 30 CEEDHN CCCCNC(=O)NC(=O)CN1[C@H](C)CC[C@@H]1CC ZINC000330652589 394624396 /nfs/dbraw/zinc/62/43/96/394624396.db2.gz KTEBIAJYNUYHBL-NEPJUHHUSA-N 0 3 269.389 2.080 20 30 CEEDHN C=C(C)CN(CC)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000265155592 394646706 /nfs/dbraw/zinc/64/67/06/394646706.db2.gz UPALGOSXLLPUAJ-JTQLQIEISA-N 0 3 264.291 2.048 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1ccc(C#N)cc1 ZINC000265223590 394646719 /nfs/dbraw/zinc/64/67/19/394646719.db2.gz XTCPHYWFQLODCL-CQSZACIVSA-N 0 3 286.379 2.364 20 30 CEEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000333548693 394648100 /nfs/dbraw/zinc/64/81/00/394648100.db2.gz MEJGBNYWLJGYEI-CKEIUWERSA-N 0 3 289.423 2.305 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(CC#N)cc1 ZINC000270306298 394730998 /nfs/dbraw/zinc/73/09/98/394730998.db2.gz TUIDFRNGPKOUCN-INIZCTEOSA-N 0 3 287.407 2.459 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@H](C(=O)N(C)C)C2)c1 ZINC000414503164 394746366 /nfs/dbraw/zinc/74/63/66/394746366.db2.gz VTSCKBXYNFBBOI-HNNXBMFYSA-N 0 3 288.391 2.162 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCCC(F)(F)[C@@H]2O)cc1 ZINC000334875889 394716958 /nfs/dbraw/zinc/71/69/58/394716958.db2.gz YJPNYBLEGGQPQW-QWHCGFSZSA-N 0 3 266.291 2.197 20 30 CEEDHN COC[C@H](CN[C@H](C)c1ccc(C#N)cc1F)OC ZINC000358438243 394722430 /nfs/dbraw/zinc/72/24/30/394722430.db2.gz VSTJZFCSWJUSND-PWSUYJOCSA-N 0 3 266.316 2.009 20 30 CEEDHN CN(C(=O)C1(C#N)CCCCC1)[C@H]1CCN(C2CC2)C1 ZINC000335313009 394758662 /nfs/dbraw/zinc/75/86/62/394758662.db2.gz IOCRROKIOVSOQD-AWEZNQCLSA-N 0 3 275.396 2.156 20 30 CEEDHN C=CCOCC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000359537501 394760668 /nfs/dbraw/zinc/76/06/68/394760668.db2.gz AEFFMFPJXDBLMD-CHWSQXEVSA-N 0 3 280.368 2.028 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359569508 394762373 /nfs/dbraw/zinc/76/23/73/394762373.db2.gz YWGXAKHXZMOGFV-IJEWVQPXSA-N 0 3 277.412 2.259 20 30 CEEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000118850919 394762546 /nfs/dbraw/zinc/76/25/46/394762546.db2.gz XFRZAPJAONAHSI-RMRKRWHISA-N 0 3 289.423 2.448 20 30 CEEDHN CN1CC[C@@H]2CCN(c3ccc(Cl)c(C#N)n3)[C@H]2C1 ZINC000272168123 394767530 /nfs/dbraw/zinc/76/75/30/394767530.db2.gz HIFYIRITUKJOJP-MFKMUULPSA-N 0 3 276.771 2.137 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CCCC[C@@H]1CN(C)C ZINC000120427908 394779221 /nfs/dbraw/zinc/77/92/21/394779221.db2.gz GKRYUYGOIMMBSN-OAHLLOKOSA-N 0 3 285.391 2.423 20 30 CEEDHN C[C@@H](NC(=O)Nc1cccc(C#N)c1)C1=CCN(C)CC1 ZINC000272998545 394780153 /nfs/dbraw/zinc/78/01/53/394780153.db2.gz RRKNOQNVQXYJMQ-GFCCVEGCSA-N 0 3 284.363 2.330 20 30 CEEDHN CN1CCC(CC(=O)N2CCCC(C)(C)[C@H]2C#N)CC1 ZINC000335694717 394789997 /nfs/dbraw/zinc/78/99/97/394789997.db2.gz LTMVLQODIZUQNE-CQSZACIVSA-N 0 3 277.412 2.259 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CCCC#N ZINC000360176330 394792382 /nfs/dbraw/zinc/79/23/82/394792382.db2.gz VLFLVCLMDDEWPK-CHWSQXEVSA-N 0 3 251.374 2.059 20 30 CEEDHN CC(C)N1CC[C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000274232120 394795281 /nfs/dbraw/zinc/79/52/81/394795281.db2.gz FGCWRBNAXBVVJV-GFCCVEGCSA-N 0 3 274.324 2.361 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000335738698 394795791 /nfs/dbraw/zinc/79/57/91/394795791.db2.gz VZQOFVYIPTXGLR-VXGBXAGGSA-N 0 3 250.342 2.144 20 30 CEEDHN C[C@@H]1CN(C)[C@@H](C)CN1CC#Cc1ccc(F)cc1 ZINC000335975376 394816112 /nfs/dbraw/zinc/81/61/12/394816112.db2.gz SDQSBXVILBRPFO-UONOGXRCSA-N 0 3 260.356 2.202 20 30 CEEDHN C=CCC[C@@H](O)CN(CCOC)Cc1ccc(C#N)cc1 ZINC000124644676 394838676 /nfs/dbraw/zinc/83/86/76/394838676.db2.gz ZHMYPLPIQJHDCW-QGZVFWFLSA-N 0 3 288.391 2.334 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2CCCCCC[C@H]21 ZINC000362221244 394849954 /nfs/dbraw/zinc/84/99/54/394849954.db2.gz ORIMHMKTNFZWND-BFHYXJOUSA-N 0 3 293.411 2.041 20 30 CEEDHN C=CCN(CC)CCN1c2ccccc2O[C@H](C)C1=O ZINC000362338532 394853707 /nfs/dbraw/zinc/85/37/07/394853707.db2.gz BNEYAYPSWPYZMA-CYBMUJFWSA-N 0 3 274.364 2.308 20 30 CEEDHN CN(CCC(=O)OC(C)(C)C)[C@@H]1CC[C@H](C#N)C1 ZINC000339017662 394937563 /nfs/dbraw/zinc/93/75/63/394937563.db2.gz MZKQICLHUDPADF-NWDGAFQWSA-N 0 3 252.358 2.342 20 30 CEEDHN Cc1ccsc1[C@H](CO)N[C@@H]1CC[C@@H](C#N)C1 ZINC000339093002 394942276 /nfs/dbraw/zinc/94/22/76/394942276.db2.gz ZWZDIGHEFGRBIK-UTUOFQBUSA-N 0 3 250.367 2.372 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H]([C@H](O)C(F)(F)F)C2)C1 ZINC000339128310 394944876 /nfs/dbraw/zinc/94/48/76/394944876.db2.gz RZMIYINBAMPUOO-RHYQMDGZSA-N 0 3 276.302 2.314 20 30 CEEDHN CC1(C)CN([C@@H]2CC[C@H](C#N)C2)C[C@@]2(CCCOC2)O1 ZINC000339150321 394946825 /nfs/dbraw/zinc/94/68/25/394946825.db2.gz VIJLPTJBBPDJMF-SQWLQELKSA-N 0 3 278.396 2.339 20 30 CEEDHN C=C(C)[C@H](CC(=O)N[C@@H](CC(C)C)CN(C)C)OCC ZINC000339210805 394952906 /nfs/dbraw/zinc/95/29/06/394952906.db2.gz PYZWVBBLTSFMJX-GJZGRUSLSA-N 0 3 284.444 2.450 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000342967064 395027666 /nfs/dbraw/zinc/02/76/66/395027666.db2.gz TUFLNJABXADEJN-QWHCGFSZSA-N 0 3 265.401 2.267 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@H]1CCC[C@H]1SCC ZINC000286168921 395016294 /nfs/dbraw/zinc/01/62/94/395016294.db2.gz OLQPSVPPAFOHGD-UONOGXRCSA-N 0 3 282.453 2.451 20 30 CEEDHN Cn1cc(C[C@H]2CCN(CC#Cc3ccc(F)cc3)C2)cn1 ZINC000154220785 395021557 /nfs/dbraw/zinc/02/15/57/395021557.db2.gz CHRNPMWPGGTMQZ-MRXNPFEDSA-N 0 3 297.377 2.475 20 30 CEEDHN CC#CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000154552367 395023217 /nfs/dbraw/zinc/02/32/17/395023217.db2.gz VGPJHPOOSACGOO-HNNXBMFYSA-N 0 3 288.366 2.177 20 30 CEEDHN CC(C)[C@H](C#N)NC(=O)CCN1CCc2ccccc2C1 ZINC000416157381 395023708 /nfs/dbraw/zinc/02/37/08/395023708.db2.gz IMAVJALZEOKMBZ-INIZCTEOSA-N 0 3 285.391 2.099 20 30 CEEDHN CN(C)[C@@H](CC(=O)N[C@H](C#N)C1CC1)c1ccccc1 ZINC000416162239 395024763 /nfs/dbraw/zinc/02/47/63/395024763.db2.gz UKUSXEJSGBSKFR-CABCVRRESA-N 0 3 271.364 2.098 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1conc1CC ZINC000339384599 394958081 /nfs/dbraw/zinc/95/80/81/394958081.db2.gz GVQDKILLYMTAAZ-FZMZJTMJSA-N 0 3 250.342 2.308 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)c1cccc(CN(C)C)c1 ZINC000155932792 395030553 /nfs/dbraw/zinc/03/05/53/395030553.db2.gz XPTGJYOHJJBUNT-CYBMUJFWSA-N 0 3 273.380 2.370 20 30 CEEDHN C=CCCOCCNC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000339777284 394970627 /nfs/dbraw/zinc/97/06/27/394970627.db2.gz SEVLMWGMNCVVCC-GJZGRUSLSA-N 0 3 297.443 2.141 20 30 CEEDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ncc2c(c1C#N)CCC2 ZINC000425222576 395052164 /nfs/dbraw/zinc/05/21/64/395052164.db2.gz ASDXLWGNMDILEQ-BLLLJJGKSA-N 0 3 284.407 2.218 20 30 CEEDHN CC(C)N1CCCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000425222245 395052409 /nfs/dbraw/zinc/05/24/09/395052409.db2.gz IBFLOZWZTDTCSQ-UHFFFAOYSA-N 0 3 284.407 2.362 20 30 CEEDHN CN(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C(C)(C)C#N ZINC000373098710 395053982 /nfs/dbraw/zinc/05/39/82/395053982.db2.gz IETSFAVWBKJWKY-CABCVRRESA-N 0 3 285.391 2.270 20 30 CEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)C#Cc1ccccc1 ZINC000288331436 395057233 /nfs/dbraw/zinc/05/72/33/395057233.db2.gz JMKCEEIJTQOLGC-RDJZCZTQSA-N 0 3 282.387 2.123 20 30 CEEDHN Cn1nccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000159681410 395059534 /nfs/dbraw/zinc/05/95/34/395059534.db2.gz HAJMWNBIOFXZLD-VIFPVBQESA-N 0 3 294.236 2.324 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCN(C)C[C@H]1C(C)C ZINC000425483633 395060498 /nfs/dbraw/zinc/06/04/98/395060498.db2.gz RSGFRNUSBJGUMY-INIZCTEOSA-N 0 3 287.407 2.339 20 30 CEEDHN C#Cc1ccc(CN[C@@H](C)[C@@H](C)C(=O)OCC)cc1 ZINC000290356054 395101191 /nfs/dbraw/zinc/10/11/91/395101191.db2.gz MJLCUAXDDAEGFF-OLZOCXBDSA-N 0 3 259.349 2.345 20 30 CEEDHN Cc1nc([C@@H]2CCCN(CCCSCC#N)C2)no1 ZINC000374097660 395073276 /nfs/dbraw/zinc/07/32/76/395073276.db2.gz STBMFNREQGYPTG-GFCCVEGCSA-N 0 3 280.397 2.204 20 30 CEEDHN COCCCOC1CCN(CCC(C)(C)C#N)CC1 ZINC000345731347 395074282 /nfs/dbraw/zinc/07/42/82/395074282.db2.gz IONJEZHXOHSOED-UHFFFAOYSA-N 0 3 268.401 2.444 20 30 CEEDHN C#Cc1ccc(CNCC2([S@](C)=O)CCC2)cc1 ZINC000289483605 395078784 /nfs/dbraw/zinc/07/87/84/395078784.db2.gz BAOJVHWWMXHOAC-SFHVURJKSA-N 0 3 261.390 2.059 20 30 CEEDHN C=CCCC(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000374296879 395079827 /nfs/dbraw/zinc/07/98/27/395079827.db2.gz QQGNULKUFLLYFC-HUUCEWRRSA-N 0 3 258.365 2.167 20 30 CEEDHN Cc1cccc(CN(CCN(C)C)C(=O)[C@H](C)C#N)c1 ZINC000345843902 395079986 /nfs/dbraw/zinc/07/99/86/395079986.db2.gz GITGQNFZEBZBSE-CQSZACIVSA-N 0 3 273.380 2.045 20 30 CEEDHN C=C[C@@H](CO)N[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000289645464 395082766 /nfs/dbraw/zinc/08/27/66/395082766.db2.gz FYLUHNANQSSWSZ-QWHCGFSZSA-N 0 3 263.337 2.045 20 30 CEEDHN C[C@@H](CNC(=O)C1(C#N)CCC1)N1CCCC[C@H]1C ZINC000345997592 395084281 /nfs/dbraw/zinc/08/42/81/395084281.db2.gz VNQWIIIQRMGIMS-OLZOCXBDSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C1(C#N)CCC1 ZINC000346082505 395085982 /nfs/dbraw/zinc/08/59/82/395085982.db2.gz GUFOTFGAHDRXMR-BETUJISGSA-N 0 3 263.385 2.059 20 30 CEEDHN C=C[C@H](CO)N[C@@H](C)CC(=O)Nc1cccc(C)c1C ZINC000289817483 395088193 /nfs/dbraw/zinc/08/81/93/395088193.db2.gz OTRCRBKPBGFHPV-GXTWGEPZSA-N 0 3 276.380 2.157 20 30 CEEDHN COCC[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000346298369 395094702 /nfs/dbraw/zinc/09/47/02/395094702.db2.gz IVWZPSUOTKERCG-ZFWWWQNUSA-N 0 3 274.364 2.300 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)CF)C(C)C ZINC000287244191 395036196 /nfs/dbraw/zinc/03/61/96/395036196.db2.gz SPQFKXGAMQBGQD-UONOGXRCSA-N 0 3 285.407 2.342 20 30 CEEDHN C#Cc1ccc(CN[C@H](CO)C[C@H](O)c2ccccc2)cc1 ZINC000290338677 395099399 /nfs/dbraw/zinc/09/93/99/395099399.db2.gz KYSCEFSXPJMHBE-OALUTQOASA-N 0 3 295.382 2.242 20 30 CEEDHN C=CCCC(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000346935066 395113676 /nfs/dbraw/zinc/11/36/76/395113676.db2.gz ZTTXSONKMQPEGZ-OAHLLOKOSA-N 0 3 280.412 2.056 20 30 CEEDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(CC#N)c1)C2 ZINC000174616735 395126022 /nfs/dbraw/zinc/12/60/22/395126022.db2.gz UDVUAKUBDUAJOW-JKSUJKDBSA-N 0 3 283.375 2.061 20 30 CEEDHN CN(CC(=O)NC1(C#N)CCC1)CC1CCCCC1 ZINC000346854633 395111296 /nfs/dbraw/zinc/11/12/96/395111296.db2.gz XHFPBEUZFJYXIF-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@](C)(OC)C1 ZINC000348207787 395138749 /nfs/dbraw/zinc/13/87/49/395138749.db2.gz YIXRZBFDXLCINJ-GOEBONIOSA-N 0 3 282.428 2.300 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)CCc2ccc(C#N)cc2)CN1C1CC1 ZINC000177134793 395146532 /nfs/dbraw/zinc/14/65/32/395146532.db2.gz AKKCBQDPFYPXJE-CZUORRHYSA-N 0 3 297.402 2.232 20 30 CEEDHN CN(Cc1cccc(F)c1C#N)[C@@H]1CCN(C2CC2)C1 ZINC000428251538 395143266 /nfs/dbraw/zinc/14/32/66/395143266.db2.gz VWTSHSGVBHYWLR-CQSZACIVSA-N 0 3 273.355 2.366 20 30 CEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(C#N)o1 ZINC000429801467 395158225 /nfs/dbraw/zinc/15/82/25/395158225.db2.gz MBTHYDNRUUMWGX-RYUDHWBXSA-N 0 3 275.352 2.001 20 30 CEEDHN Cc1nc(N[C@H]2C[C@@H](C)N(C3CC3)C2)ccc1C#N ZINC000291959211 395181348 /nfs/dbraw/zinc/18/13/48/395181348.db2.gz OBEFWTCWWGKVJW-MFKMUULPSA-N 0 3 256.353 2.299 20 30 CEEDHN C=CCCCCCNC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000520249511 395243027 /nfs/dbraw/zinc/24/30/27/395243027.db2.gz XKJZVTVSHDVBHW-MRXNPFEDSA-N 0 3 279.428 2.470 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](N2CCOCC2)[C@@H]1C ZINC000352005664 395243545 /nfs/dbraw/zinc/24/35/45/395243545.db2.gz GBNJGMPQRJGUFV-RVKKMQEKSA-N 0 3 299.418 2.414 20 30 CEEDHN C[C@@H](NCCCSCC#N)c1nnc2ccccn21 ZINC000182666054 395246638 /nfs/dbraw/zinc/24/66/38/395246638.db2.gz YPYMVZLKHMJBQJ-LLVKDONJSA-N 0 3 275.381 2.027 20 30 CEEDHN Cc1nc(N2CC[C@@H](N3CCCCC3)C2)ccc1C#N ZINC000292039406 395183456 /nfs/dbraw/zinc/18/34/56/395183456.db2.gz VDZMFNZJDYROQI-OAHLLOKOSA-N 0 3 270.380 2.326 20 30 CEEDHN CN1CC[C@]2(CCN(c3nc(Cl)c(C#N)s3)C2)C1 ZINC000292166669 395187594 /nfs/dbraw/zinc/18/75/94/395187594.db2.gz DLEHWYXOFTUTMQ-LBPRGKRZSA-N 0 3 282.800 2.200 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCCc2sccc21 ZINC000394314309 395205707 /nfs/dbraw/zinc/20/57/07/395205707.db2.gz FIODNILHMZTKRX-AWEZNQCLSA-N 0 3 290.432 2.239 20 30 CEEDHN C[S@](=O)C[C@H](NCCCCC#N)c1ccccc1 ZINC000183117175 395251721 /nfs/dbraw/zinc/25/17/21/395251721.db2.gz CSBCNZUGNGVWKR-KSSFIOAISA-N 0 3 264.394 2.390 20 30 CEEDHN CCc1ccc(C#CC(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000293029496 395216085 /nfs/dbraw/zinc/21/60/85/395216085.db2.gz GDUNLFNSICLWRG-KRWDZBQOSA-N 0 3 284.403 2.153 20 30 CEEDHN OC[C@H]1CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC000293130138 395220498 /nfs/dbraw/zinc/22/04/98/395220498.db2.gz MVJFTSFOSIBLIB-HNNXBMFYSA-N 0 3 261.340 2.272 20 30 CEEDHN CC[C@@H](CC#N)NC[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000519768908 395222958 /nfs/dbraw/zinc/22/29/58/395222958.db2.gz YGPRGSBZNKSNQP-ZBFHGGJFSA-N 0 3 285.391 2.431 20 30 CEEDHN C=CC[C@H](CO)CN[C@H](CC)c1ccc(F)cn1 ZINC000353000138 395284282 /nfs/dbraw/zinc/28/42/82/395284282.db2.gz QKHAASAXQVSKQJ-WCQYABFASA-N 0 3 252.333 2.446 20 30 CEEDHN CC(=O)N(C)C1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000186191601 395286916 /nfs/dbraw/zinc/28/69/16/395286916.db2.gz SAKGNLRXIKLFFK-UHFFFAOYSA-N 0 3 285.391 2.309 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000186311172 395289172 /nfs/dbraw/zinc/28/91/72/395289172.db2.gz OPPDSKJSXLEYIE-MRXNPFEDSA-N 0 3 295.390 2.370 20 30 CEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C1(C#N)CCC1 ZINC000408192752 395292847 /nfs/dbraw/zinc/29/28/47/395292847.db2.gz OXDJTHBIACXUAT-MJBXVCDLSA-N 0 3 277.412 2.163 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528758220 395294062 /nfs/dbraw/zinc/29/40/62/395294062.db2.gz FJVZSZHFDKTXBA-YMEQNVIZSA-N 0 3 274.364 2.468 20 30 CEEDHN C=C[C@H](CO)NC/C(C)=C\c1ccccc1COC ZINC000353577082 395301452 /nfs/dbraw/zinc/30/14/52/395301452.db2.gz RLKYPEYFVUCIMI-RCBBPTIPSA-N 0 3 261.365 2.373 20 30 CEEDHN COCC[C@H](COC)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000353652463 395304981 /nfs/dbraw/zinc/30/49/81/395304981.db2.gz XBUFMZKTSHODSP-SMDDNHRTSA-N 0 3 280.343 2.399 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccccc1OC(C)C ZINC000293869939 395255101 /nfs/dbraw/zinc/25/51/01/395255101.db2.gz BUBMLIKHVXKTJJ-UHFFFAOYSA-N 0 3 288.391 2.159 20 30 CEEDHN C=CC[C@@H](CO)[NH2+]Cc1ccc(OCCC)cc1[O-] ZINC000184284963 395271258 /nfs/dbraw/zinc/27/12/58/395271258.db2.gz WHJGTHXFUKCYTA-ZDUSSCGKSA-N 0 3 265.353 2.208 20 30 CEEDHN C[C@@H]1C[C@@H](C)N1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000525940627 395272828 /nfs/dbraw/zinc/27/28/28/395272828.db2.gz DNEWBILMLYCVON-LALPHHSUSA-N 0 3 267.332 2.250 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441292517 395385184 /nfs/dbraw/zinc/38/51/84/395385184.db2.gz ZHBXLNVBAWWORR-HZPDHXFCSA-N 0 3 294.439 2.160 20 30 CEEDHN CN(C)C(=O)c1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442710786 395391916 /nfs/dbraw/zinc/39/19/16/395391916.db2.gz QRSSXNUXIIMRMR-DOMZBBRYSA-N 0 3 271.364 2.170 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(C[C@@H](C)OC)C(C)C ZINC000354368424 395328914 /nfs/dbraw/zinc/32/89/14/395328914.db2.gz OTIDNIFIOKDJCL-CQSZACIVSA-N 0 3 270.417 2.156 20 30 CEEDHN COCCO[C@@H]1CCN(Cc2ccc(C#N)cc2C)C1 ZINC000189696827 395330946 /nfs/dbraw/zinc/33/09/46/395330946.db2.gz XZBFTLDOOQVOAV-MRXNPFEDSA-N 0 3 274.364 2.104 20 30 CEEDHN CC#CCN[C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412015290 395345458 /nfs/dbraw/zinc/34/54/58/395345458.db2.gz ZMLVDVJZRPFGMY-MRXNPFEDSA-N 0 3 273.376 2.130 20 30 CEEDHN Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1S(C)(=O)=O ZINC000442868505 395397193 /nfs/dbraw/zinc/39/71/93/395397193.db2.gz CJSBCYFYZLFPTM-OCCSQVGLSA-N 0 3 292.404 2.180 20 30 CEEDHN CO[C@H](C)CNCc1cccc(OCCCC#N)c1 ZINC000191149375 395350063 /nfs/dbraw/zinc/35/00/63/395350063.db2.gz XWKYNVALTSPYQN-CYBMUJFWSA-N 0 3 262.353 2.494 20 30 CEEDHN C[C@H](CC#N)N(C)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000412169708 395350476 /nfs/dbraw/zinc/35/04/76/395350476.db2.gz CLCBNKXGVGDDDK-LPWJVIDDSA-N 0 3 251.374 2.008 20 30 CEEDHN C=CCN(C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)C1CC1 ZINC000412232641 395351385 /nfs/dbraw/zinc/35/13/85/395351385.db2.gz SFBVORLDCUILTC-XQQFMLRXSA-N 0 3 250.386 2.425 20 30 CEEDHN COc1cc(CN2CCN(C)CC[C@H]2C)ccc1C#N ZINC000442887249 395397433 /nfs/dbraw/zinc/39/74/33/395397433.db2.gz XCOQCBGDKKGWTN-CYBMUJFWSA-N 0 3 273.380 2.093 20 30 CEEDHN N#Cc1ccc(CNCC2(O)Cc3ccccc3C2)c(F)c1 ZINC000533308875 395461611 /nfs/dbraw/zinc/46/16/11/395461611.db2.gz HAXPSNSNRHHBDL-UHFFFAOYSA-N 0 3 296.345 2.317 20 30 CEEDHN Cc1cc(CN[C@H](C)CC[S@@](C)=O)ccc1C#N ZINC000443992951 395409172 /nfs/dbraw/zinc/40/91/72/395409172.db2.gz YUKSRTHJFLWOCZ-KZULUSFZSA-N 0 3 264.394 2.113 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CCO[C@H]2CCN(CC)C[C@H]21 ZINC000355327461 395413474 /nfs/dbraw/zinc/41/34/74/395413474.db2.gz CRLYWSPXZYUXBS-CVEARBPZSA-N 0 3 292.423 2.076 20 30 CEEDHN C[C@H](Nc1ccc(C#N)c(N)n1)[C@@H](c1ccccc1)N(C)C ZINC000566485836 395530359 /nfs/dbraw/zinc/53/03/59/395530359.db2.gz WHPUFDXYULABNS-LRDDRELGSA-N 0 3 295.390 2.061 20 30 CEEDHN CC(C)c1nnc(C[NH2+]C2CCC(C)(C#N)CC2)[n-]1 ZINC000449404178 395546750 /nfs/dbraw/zinc/54/67/50/395546750.db2.gz ALBWHIRMQHZOQE-UHFFFAOYSA-N 0 3 261.373 2.490 20 30 CEEDHN CC(C)c1nnc(CNC2CCC(C)(C#N)CC2)[nH]1 ZINC000449404178 395546753 /nfs/dbraw/zinc/54/67/53/395546753.db2.gz ALBWHIRMQHZOQE-UHFFFAOYSA-N 0 3 261.373 2.490 20 30 CEEDHN C[C@H]1C[C@]1(C#N)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000448776028 395538654 /nfs/dbraw/zinc/53/86/54/395538654.db2.gz DMHBIPKEFUKWCA-DVOMOZLQSA-N 0 3 277.412 2.163 20 30 CEEDHN CN(CC(=O)NC1(C#N)CCCCC1)C(C)(C)C ZINC000572998601 395598165 /nfs/dbraw/zinc/59/81/65/395598165.db2.gz GPAAMIQFQXASKH-UHFFFAOYSA-N 0 3 251.374 2.059 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(Cn3cncn3)cc2)C1 ZINC000573727856 395616424 /nfs/dbraw/zinc/61/64/24/395616424.db2.gz WKNKJBHDLSSAGX-HZPDHXFCSA-N 0 3 281.363 2.108 20 30 CEEDHN CN1CCN(C(=O)C(C#N)CCc2ccccc2)CC1(C)C ZINC000568217349 395550849 /nfs/dbraw/zinc/55/08/49/395550849.db2.gz OORAWOFETKPPAR-INIZCTEOSA-N 0 3 299.418 2.312 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1scnc1C1CC1 ZINC000449521249 395552771 /nfs/dbraw/zinc/55/27/71/395552771.db2.gz RLUGWAGFNJVSRO-MNOVXSKESA-N 0 3 250.367 2.454 20 30 CEEDHN C=CCCCCCNC(=O)NCCN(C)C1CC1 ZINC000570223485 395581657 /nfs/dbraw/zinc/58/16/57/395581657.db2.gz XUMYMEAIOPGHDL-UHFFFAOYSA-N 0 3 253.390 2.126 20 30 CEEDHN CC1(C)[C@H](NC[C@H](C#N)CCC#N)[C@H]2CCCO[C@H]21 ZINC000572802420 395587630 /nfs/dbraw/zinc/58/76/30/395587630.db2.gz XDUGPJOMFCQOFK-REWJHTLYSA-N 0 3 261.369 2.223 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cn2)C12CCC2 ZINC000573872405 395621896 /nfs/dbraw/zinc/62/18/96/395621896.db2.gz RTGZDOJXTJZKAX-HUUCEWRRSA-N 0 3 271.364 2.391 20 30 CEEDHN CC1(F)CC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000452278591 395626270 /nfs/dbraw/zinc/62/62/70/395626270.db2.gz SWFQDAXMJLYNMC-VQCLRJIVSA-N 0 3 285.322 2.247 20 30 CEEDHN CO[C@@H]1COCC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000453328525 395628031 /nfs/dbraw/zinc/62/80/31/395628031.db2.gz UCMFRDXBEZUMIY-AXAPSJFSSA-N 0 3 292.354 2.399 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(C)[C@@H]1CCN(C(C)C)C1)OCC ZINC000457089826 395634551 /nfs/dbraw/zinc/63/45/51/395634551.db2.gz LMXHRFVVHAKASJ-CABCVRRESA-N 0 3 282.428 2.299 20 30 CEEDHN CC(C)(CN1CCCC1)NC(=O)c1cc(C#N)cs1 ZINC000457052426 395634665 /nfs/dbraw/zinc/63/46/65/395634665.db2.gz OAVLRAGYPYFBPF-UHFFFAOYSA-N 0 3 277.393 2.224 20 30 CEEDHN CC(C)(CC#N)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000458013662 395637732 /nfs/dbraw/zinc/63/77/32/395637732.db2.gz BNAFNAVGYPOTKL-HNNXBMFYSA-N 0 3 294.358 2.297 20 30 CEEDHN CC(C)[C@@H]1C[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000458106295 395638349 /nfs/dbraw/zinc/63/83/49/395638349.db2.gz BPKNYSPPSXXAGX-HRCADAONSA-N 0 3 281.359 2.401 20 30 CEEDHN COc1ccc([C@@H](CO)CNCc2ccc(C#N)o2)cc1 ZINC000459750060 395666733 /nfs/dbraw/zinc/66/67/33/395666733.db2.gz MWDOBOYLRXYZGS-CYBMUJFWSA-N 0 3 286.331 2.026 20 30 CEEDHN CC1=CCN(CCNC(=O)/C=C\c2ccc(C#N)cc2)CC1 ZINC000493771539 395673899 /nfs/dbraw/zinc/67/38/99/395673899.db2.gz NBVJDAHXDOQRQY-SREVYHEPSA-N 0 3 295.386 2.340 20 30 CEEDHN C=C(C)[C@@H](CO)N(CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000649283975 396113043 /nfs/dbraw/zinc/11/30/43/396113043.db2.gz CSBQRXPZQDUPCZ-MRXNPFEDSA-N 0 3 290.407 2.147 20 30 CEEDHN CCC#C[C@H](C)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000649781032 396257776 /nfs/dbraw/zinc/25/77/76/396257776.db2.gz RIAQATYCIQWWNO-SOUVJXGZSA-N 0 3 270.376 2.069 20 30 CEEDHN C=CCC[C@H](O)CN1C[C@H](C)OC2(CCCC2)C1 ZINC000646134305 396300727 /nfs/dbraw/zinc/30/07/27/396300727.db2.gz 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RJBXQQMTMDIXSK-UHFFFAOYSA-N 0 3 283.331 2.130 20 30 CEEDHN Cn1cc(CN[C@H]2CCCC[C@@H]2n2cccn2)cc1C#N ZINC000191264545 153165165 /nfs/dbraw/zinc/16/51/65/153165165.db2.gz UTDJYDPIWHSYDM-HOTGVXAUSA-N 0 3 283.379 2.367 20 30 CEEDHN N#Cc1nccnc1NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000192953034 153222442 /nfs/dbraw/zinc/22/24/42/153222442.db2.gz IOPJWZGIDJSORA-OAHLLOKOSA-N 0 3 293.374 2.282 20 30 CEEDHN CCCCN(C)CCNC(=O)NCc1ccc(C#N)cc1 ZINC000352658514 154328285 /nfs/dbraw/zinc/32/82/85/154328285.db2.gz YZXOMEUXROGYSC-UHFFFAOYSA-N 0 3 288.395 2.089 20 30 CEEDHN COCCCN1CCCN(c2cccc(F)c2C#N)CC1 ZINC000363998334 156061064 /nfs/dbraw/zinc/06/10/64/156061064.db2.gz VDFNTYNITYAYSN-UHFFFAOYSA-N 0 3 291.370 2.246 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)cc1F ZINC000364783500 156068315 /nfs/dbraw/zinc/06/83/15/156068315.db2.gz KHYNPPQFKPOCFC-HUUCEWRRSA-N 0 3 260.312 2.354 20 30 CEEDHN COc1cc(CN2CCC[C@H](c3nnc[nH]3)C2)ccc1C#N ZINC000367035092 156117819 /nfs/dbraw/zinc/11/78/19/156117819.db2.gz HHFPGHNTTGSSRD-AWEZNQCLSA-N 0 3 297.362 2.065 20 30 CEEDHN COc1cc(CN2CCC[C@@H](c3nnc[nH]3)C2)ccc1C#N ZINC000367035093 156117849 /nfs/dbraw/zinc/11/78/49/156117849.db2.gz HHFPGHNTTGSSRD-CQSZACIVSA-N 0 3 297.362 2.065 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@@H](c3ccnc(N)n3)C2)c1 ZINC000368454354 156347205 /nfs/dbraw/zinc/34/72/05/156347205.db2.gz KGKVUXODIQYHPA-OAHLLOKOSA-N 0 3 293.374 2.140 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)c2cc(C#N)c[nH]2)c1 ZINC000175269253 165130340 /nfs/dbraw/zinc/13/03/40/165130340.db2.gz MMANMQKNCXRLHH-UHFFFAOYSA-N 0 3 268.320 2.200 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(CC)ccc2O)CC1 ZINC000171566019 335070976 /nfs/dbraw/zinc/07/09/76/335070976.db2.gz SBYIIGYUFRWCCM-UHFFFAOYSA-N 0 3 288.391 2.335 20 30 CEEDHN CN(C)C[C@H]1CCCN1C(=O)c1cc(C#N)ccc1Cl ZINC000285267830 196236263 /nfs/dbraw/zinc/23/62/63/196236263.db2.gz JLCJKXGFVNZUHX-GFCCVEGCSA-N 0 3 291.782 2.378 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CC(F)F ZINC000662842403 414770815 /nfs/dbraw/zinc/77/08/15/414770815.db2.gz NVHFZHBRGWCQTQ-VWYCJHECSA-N 0 3 260.328 2.220 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662858599 414776828 /nfs/dbraw/zinc/77/68/28/414776828.db2.gz ZTEPECQGXLOQJS-CYBMUJFWSA-N 0 3 262.397 2.476 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H](C)CCN2)C1 ZINC000662857145 414777459 /nfs/dbraw/zinc/77/74/59/414777459.db2.gz FVQVTZBSFMKSLJ-MGPQQGTHSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCC1(NC(=O)c2cccc3c2CNC3)CCOCC1 ZINC000662876107 414782895 /nfs/dbraw/zinc/78/28/95/414782895.db2.gz ZVTYSXSEMXLJSD-UHFFFAOYSA-N 0 3 286.375 2.145 20 30 CEEDHN C=CCCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000660633383 414909266 /nfs/dbraw/zinc/90/92/66/414909266.db2.gz AOVPXEVLGUYBJD-CQSZACIVSA-N 0 3 275.396 2.382 20 30 CEEDHN CC#CCN(C)CC[C@@H]1Sc2ccccc2NC1=O ZINC000660647954 414915930 /nfs/dbraw/zinc/91/59/30/414915930.db2.gz UXRKWNAKWYVQIR-AWEZNQCLSA-N 0 3 274.389 2.445 20 30 CEEDHN C=CCCn1cc(CNCC2([C@@H](C)CCO)CCC2)nn1 ZINC000657428094 414932193 /nfs/dbraw/zinc/93/21/93/414932193.db2.gz YAWCGJFTIAXUFQ-AWEZNQCLSA-N 0 3 292.427 2.133 20 30 CEEDHN C=CCOCCCNC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000660611392 414894689 /nfs/dbraw/zinc/89/46/89/414894689.db2.gz JBFVDLQTANSFJN-HUUCEWRRSA-N 0 3 297.443 2.141 20 30 CEEDHN C=CCCn1cc(CNCCCC(F)(F)F)nn1 ZINC000657382537 414900279 /nfs/dbraw/zinc/90/02/79/414900279.db2.gz FHJODYZZJRJJIY-UHFFFAOYSA-N 0 3 262.279 2.286 20 30 CEEDHN C=C(CNC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC000655079375 415094467 /nfs/dbraw/zinc/09/44/67/415094467.db2.gz QGAHQDHIIVCOGF-ZDUSSCGKSA-N 0 3 258.365 2.158 20 30 CEEDHN C=CCOCCCNCc1cn(C)nc1C(F)F ZINC000657659231 415039879 /nfs/dbraw/zinc/03/98/79/415039879.db2.gz SLJQUJQYXFLUBP-UHFFFAOYSA-N 0 3 259.300 2.040 20 30 CEEDHN C=CCN(C(=O)NC[C@@H]1CCCCN1CC)[C@@H](C)COC ZINC000664073084 415152223 /nfs/dbraw/zinc/15/22/23/415152223.db2.gz AUNLLFPCJDCCSZ-GJZGRUSLSA-N 0 3 297.443 2.093 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N[C@H]1CCN(CCC)C1 ZINC000661121004 415103832 /nfs/dbraw/zinc/10/38/32/415103832.db2.gz AGEKUHQWUCGJCA-OLZOCXBDSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccon1 ZINC000661119259 415103918 /nfs/dbraw/zinc/10/39/18/415103918.db2.gz QVYHPYTZNQFUHA-VXGBXAGGSA-N 0 3 263.341 2.338 20 30 CEEDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCC#Cc2ccccc2)C1 ZINC000661218547 415141124 /nfs/dbraw/zinc/14/11/24/415141124.db2.gz ZRFNZXCEMGNSOX-RCCFBDPRSA-N 0 3 287.403 2.194 20 30 CEEDHN C=CCN(CC=C)C[C@H](O)COc1ccc(F)cc1 ZINC000046345469 175395541 /nfs/dbraw/zinc/39/55/41/175395541.db2.gz HGSMMHXQRYTOIM-AWEZNQCLSA-N 0 3 265.328 2.239 20 30 CEEDHN C[C@@]12COC[C@]1(C)CN(CC#Cc1ccccc1)C2 ZINC000661490430 415290456 /nfs/dbraw/zinc/29/04/56/415290456.db2.gz GWPUCEFMIMGIJX-CALCHBBNSA-N 0 3 255.361 2.397 20 30 CEEDHN C=CCCCCCNC(=O)[C@H]1CNCCC1(F)F ZINC000655488979 415299836 /nfs/dbraw/zinc/29/98/36/415299836.db2.gz PSGRXDFWROPMPN-LLVKDONJSA-N 0 3 260.328 2.094 20 30 CEEDHN C=CC1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1 ZINC000661509212 415302771 /nfs/dbraw/zinc/30/27/71/415302771.db2.gz YUSKEXJOTHBJNR-CQSZACIVSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCN([C@H]1CCN(CC(F)(F)F)C1=O)C(C)(C)C ZINC000661756051 415444528 /nfs/dbraw/zinc/44/45/28/415444528.db2.gz AUQVLSOJGJGMRY-JTQLQIEISA-N 0 3 278.318 2.436 20 30 CEEDHN C=CCCCCNC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000664699004 415456297 /nfs/dbraw/zinc/45/62/97/415456297.db2.gz QGBJOPZOAGQDGR-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCOCCN1CCC([C@@H]2CCCCO2)CC1 ZINC000661863174 415504396 /nfs/dbraw/zinc/50/43/96/415504396.db2.gz LXSDMNGXEXMEIV-HNNXBMFYSA-N 0 3 253.386 2.470 20 30 CEEDHN C=CCN1CC[C@H](N2CCC([C@H]3CCCCO3)CC2)C1=O ZINC000661865267 415507325 /nfs/dbraw/zinc/50/73/25/415507325.db2.gz FUISUHQCRYVVQM-JKSUJKDBSA-N 0 3 292.423 2.054 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NC(C)(C)C ZINC000662080702 415615418 /nfs/dbraw/zinc/61/54/18/415615418.db2.gz LUXZXQHMHCWAET-UPJWGTAASA-N 0 3 250.386 2.473 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCNC2(CCCCC2)C1 ZINC000656364292 415681836 /nfs/dbraw/zinc/68/18/36/415681836.db2.gz QYFJRTTXUSSTTC-CQSZACIVSA-N 0 3 280.412 2.102 20 30 CEEDHN C=CCN(C(=O)NC[C@H]1CCN1C(C)(C)C)[C@H](C)COC ZINC000665354811 415703988 /nfs/dbraw/zinc/70/39/88/415703988.db2.gz AXQBFVYOWVIADY-ZIAGYGMSSA-N 0 3 297.443 2.092 20 30 CEEDHN C=C(C)CN(CC)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000659829004 415712812 /nfs/dbraw/zinc/71/28/12/415712812.db2.gz JFADHRCRBADTAA-MGPQQGTHSA-N 0 3 250.386 2.332 20 30 CEEDHN COc1cccc([C@H](CNc2nccnc2C#N)N(C)C)c1 ZINC000072067658 176312109 /nfs/dbraw/zinc/31/21/09/176312109.db2.gz YCXFRRPMQAQREG-HNNXBMFYSA-N 0 3 297.362 2.072 20 30 CEEDHN C#Cc1cccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c1 ZINC000072504293 176409792 /nfs/dbraw/zinc/40/97/92/176409792.db2.gz ZOIGPHDMCNNEFL-JKSUJKDBSA-N 0 3 283.375 2.368 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCCCSC)CC1 ZINC000077669024 177293161 /nfs/dbraw/zinc/29/31/61/177293161.db2.gz GMAVGZHGICMPNI-UHFFFAOYSA-N 0 3 285.457 2.079 20 30 CEEDHN C=CCNC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000078331410 177333041 /nfs/dbraw/zinc/33/30/41/177333041.db2.gz ARSAUQLMYJNXOE-HNNXBMFYSA-N 0 3 275.396 2.337 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000345033978 225255464 /nfs/dbraw/zinc/25/54/64/225255464.db2.gz IZNIXXFBFSVSFJ-SSDOTTSWSA-N 0 3 267.672 2.024 20 30 CEEDHN COc1cccc(C2=CCN(C(=O)C(C)C#N)CC2)c1 ZINC000335149548 225692906 /nfs/dbraw/zinc/69/29/06/225692906.db2.gz UQZGPKIDHPZHLZ-GFCCVEGCSA-N 0 3 270.332 2.471 20 30 CEEDHN N#CC1(NC(=O)CN[C@H](Cc2ccccc2)C2CC2)CCC1 ZINC000346973449 226001549 /nfs/dbraw/zinc/00/15/49/226001549.db2.gz SUGGRRWZHRBHEE-MRXNPFEDSA-N 0 3 297.402 2.160 20 30 CEEDHN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NCCC(C)(C)C#N ZINC000347257905 226102826 /nfs/dbraw/zinc/10/28/26/226102826.db2.gz XIZYWSDDPYWAHS-UKRRQHHQSA-N 0 3 290.411 2.396 20 30 CEEDHN CC(C#N)C(=O)NCCCOc1cccc2cccnc21 ZINC000347121847 226034761 /nfs/dbraw/zinc/03/47/61/226034761.db2.gz ZJSMVACCERKGPE-GFCCVEGCSA-N 0 3 283.331 2.280 20 30 CEEDHN COCCN(CCC(C)(C)C#N)[C@@H]1CCO[C@@H]1C ZINC000347131035 226038311 /nfs/dbraw/zinc/03/83/11/226038311.db2.gz PBGZWOOMYAYFCZ-CHWSQXEVSA-N 0 3 254.374 2.052 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccco2)cc1 ZINC000347960912 226388911 /nfs/dbraw/zinc/38/89/11/226388911.db2.gz QUMAPLZAAJMBGU-AWEZNQCLSA-N 0 3 279.299 2.150 20 30 CEEDHN OCCN(CC#Cc1cccc(Cl)c1)CC1CC1 ZINC000352492082 227000042 /nfs/dbraw/zinc/00/00/42/227000042.db2.gz VLNKFVKONNJRRI-UHFFFAOYSA-N 0 3 263.768 2.396 20 30 CEEDHN C=CCCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000665946463 419488562 /nfs/dbraw/zinc/48/85/62/419488562.db2.gz ZKHSDGKYWHTIMX-MRXNPFEDSA-N 0 3 287.407 2.478 20 30 CEEDHN C=CCCCN(C)C(=O)c1cccc2c1CCNC2 ZINC000135973055 419441818 /nfs/dbraw/zinc/44/18/18/419441818.db2.gz KUVDLIFFJKCVMY-UHFFFAOYSA-N 0 3 258.365 2.371 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)CSC ZINC000187839800 260060425 /nfs/dbraw/zinc/06/04/25/260060425.db2.gz QSTYXMLONNUKJM-AWEZNQCLSA-N 0 3 281.421 2.407 20 30 CEEDHN Cc1noc([C@@H]2CCCN([C@@H]3CC[C@@H](C#N)C3)C2)n1 ZINC000407991170 260154440 /nfs/dbraw/zinc/15/44/40/260154440.db2.gz STEPVXFGIDXKRL-JHJVBQTASA-N 0 3 260.341 2.250 20 30 CEEDHN C#CCN(CC)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000299169146 260173239 /nfs/dbraw/zinc/17/32/39/260173239.db2.gz QTSABWRTYJKQBE-FUHWJXTLSA-N 0 3 287.403 2.397 20 30 CEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C1(C#N)CCCC1 ZINC000408051583 260198066 /nfs/dbraw/zinc/19/80/66/260198066.db2.gz IJFOSTPUBZPMNN-KBPBESRZSA-N 0 3 277.412 2.307 20 30 CEEDHN CS[C@@H](CO)[C@@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC000127227431 260361675 /nfs/dbraw/zinc/36/16/75/260361675.db2.gz TWEGTLSNDILGKB-SMOPSLFNSA-N 0 3 290.432 2.312 20 30 CEEDHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1ccc(C#N)cn1 ZINC000171634333 260945454 /nfs/dbraw/zinc/94/54/54/260945454.db2.gz PCKOIVKARZUOCP-MEBBXXQBSA-N 0 3 295.298 2.120 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000448761429 261113638 /nfs/dbraw/zinc/11/36/38/261113638.db2.gz CTTWEZRBFOFGBC-CABCVRRESA-N 0 3 294.439 2.158 20 30 CEEDHN CC[C@H](CC#N)NC1CCN(c2nccs2)CC1 ZINC000184082542 262007481 /nfs/dbraw/zinc/00/74/81/262007481.db2.gz ZYUDNKZUAVZQQP-LLVKDONJSA-N 0 3 264.398 2.394 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](C)C2(CCC2)C1 ZINC000526058218 262027617 /nfs/dbraw/zinc/02/76/17/262027617.db2.gz TWUBXHNCHLJSSZ-UONOGXRCSA-N 0 3 289.423 2.449 20 30 CEEDHN C=CCOCCCN1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000497230217 262118320 /nfs/dbraw/zinc/11/83/20/262118320.db2.gz RSIAKUJOQGWTIS-OAHLLOKOSA-N 0 3 296.411 2.322 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(NC(N)=O)cc2)C1 ZINC000192645740 262207287 /nfs/dbraw/zinc/20/72/87/262207287.db2.gz GPZNAXRPEXTOBF-TZMCWYRMSA-N 0 3 272.352 2.349 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(CO)c(F)c2)C1 ZINC000192724645 262209517 /nfs/dbraw/zinc/20/95/17/262209517.db2.gz XFJYEDQAWOIVMD-SMDDNHRTSA-N 0 3 262.328 2.490 20 30 CEEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000192746111 262210193 /nfs/dbraw/zinc/21/01/93/262210193.db2.gz GIDZEGVJNIRNPV-SOUVJXGZSA-N 0 3 283.375 2.464 20 30 CEEDHN C#CCCOc1ccc(CN2C[C@H](O)C3(CC3)C2)cc1 ZINC000364451124 262242389 /nfs/dbraw/zinc/24/23/89/262242389.db2.gz ZKMCDZXHEIISRP-INIZCTEOSA-N 0 3 271.360 2.045 20 30 CEEDHN C[C@@H]1C[C@H]1CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000488303462 262308121 /nfs/dbraw/zinc/30/81/21/262308121.db2.gz ZAIKQNFWSYKVHW-OLZOCXBDSA-N 0 3 273.355 2.475 20 30 CEEDHN C[C@@H]1CN(CC(C)(C)CCC#N)C[C@@]2(CCOC2)O1 ZINC000373491964 262370185 /nfs/dbraw/zinc/37/01/85/262370185.db2.gz AAHPPNCVOYTOOF-UKRRQHHQSA-N 0 3 266.385 2.196 20 30 CEEDHN N#CCSCCCN1CCC[C@](O)(C(F)(F)F)C1 ZINC000336699129 262381165 /nfs/dbraw/zinc/38/11/65/262381165.db2.gz FBRCXDYLZYFFPZ-SNVBAGLBSA-N 0 3 282.331 2.022 20 30 CEEDHN C=CCOCCN[C@@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000339044095 262586834 /nfs/dbraw/zinc/58/68/34/262586834.db2.gz KUGBQWJDCMCKBY-DZGCQCFKSA-N 0 3 277.364 2.329 20 30 CEEDHN CC(C)(C#N)CCN1CC[C@@H](Oc2ccccn2)C1 ZINC000272066933 263001989 /nfs/dbraw/zinc/00/19/89/263001989.db2.gz YCGWXMKZJXPCDX-CYBMUJFWSA-N 0 3 259.353 2.475 20 30 CEEDHN CN(C)CCN(Cc1cccs1)C(=O)NCCCC#N ZINC000273172131 263013548 /nfs/dbraw/zinc/01/35/48/263013548.db2.gz DXNROEXUYVWXBZ-UHFFFAOYSA-N 0 3 294.424 2.125 20 30 CEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000279720038 263056983 /nfs/dbraw/zinc/05/69/83/263056983.db2.gz MHWPENIAOAJMHE-NHYWBVRUSA-N 0 3 267.332 2.155 20 30 CEEDHN CN1CCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280127438 263059142 /nfs/dbraw/zinc/05/91/42/263059142.db2.gz MIGJGQPIDBFYGM-OAHLLOKOSA-N 0 3 285.391 2.312 20 30 CEEDHN CSC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280323839 263060363 /nfs/dbraw/zinc/06/03/63/263060363.db2.gz GWQCVLACRXSCRZ-BXUZGUMPSA-N 0 3 287.388 2.108 20 30 CEEDHN CC1=CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280783100 263064502 /nfs/dbraw/zinc/06/45/02/263064502.db2.gz PYHBTNVHHAGPQU-MRXNPFEDSA-N 0 3 279.343 2.419 20 30 CEEDHN C[C@H]1CN(CCCC(C)(C)C#N)C[C@@]2(CCOC2)O1 ZINC000366591184 263067519 /nfs/dbraw/zinc/06/75/19/263067519.db2.gz NDSULGRAWPBGIH-DZGCQCFKSA-N 0 3 266.385 2.196 20 30 CEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(CC#N)cc1 ZINC000285729942 263095351 /nfs/dbraw/zinc/09/53/51/263095351.db2.gz IVNYJRBEDBVBJY-PBHICJAKSA-N 0 3 297.402 2.451 20 30 CEEDHN CCOc1ccc([C@H](COC)NCCOCCC#N)cc1 ZINC000293678004 263146707 /nfs/dbraw/zinc/14/67/07/263146707.db2.gz AGFSKHWXGPRIEU-INIZCTEOSA-N 0 3 292.379 2.293 20 30 CEEDHN CN(C[C@H](O)Cc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000293726420 263148015 /nfs/dbraw/zinc/14/80/15/263148015.db2.gz YVVUYOCPSOVPIE-ARFHVFGLSA-N 0 3 258.365 2.214 20 30 CEEDHN Cc1ccc([C@H](C)NCCOCCC#N)cc1[N+](=O)[O-] ZINC000294577564 263163940 /nfs/dbraw/zinc/16/39/40/263163940.db2.gz MMKVEYMRKYYQCI-LBPRGKRZSA-N 0 3 277.324 2.484 20 30 CEEDHN N#C[C@H]1CCC[C@@H](N2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C1 ZINC000296532642 263192665 /nfs/dbraw/zinc/19/26/65/263192665.db2.gz QNKAVWUPGGBVRB-CAOSSQGBSA-N 0 3 297.402 2.350 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000298046932 263214213 /nfs/dbraw/zinc/21/42/13/263214213.db2.gz DSYNAMOZBGDNJO-TZMCWYRMSA-N 0 3 270.336 2.099 20 30 CEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)C2(C#N)CCCC2)C1 ZINC000164120492 263266121 /nfs/dbraw/zinc/26/61/21/263266121.db2.gz MMDGZTWVQOVFSX-ZIAGYGMSSA-N 0 3 275.396 2.013 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1C[C@](C)(OC)C1(C)C ZINC000340847080 263306116 /nfs/dbraw/zinc/30/61/16/263306116.db2.gz GIPMXRLEGJRSTQ-ZQIUZPCESA-N 0 3 294.439 2.369 20 30 CEEDHN C=CCSCCNC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000341090507 263321640 /nfs/dbraw/zinc/32/16/40/263321640.db2.gz CAXDDDKWEPYUGL-KBPBESRZSA-N 0 3 299.484 2.468 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000341183549 263326047 /nfs/dbraw/zinc/32/60/47/263326047.db2.gz ALJONZGYXQCEBE-QWHCGFSZSA-N 0 3 253.390 2.077 20 30 CEEDHN N#CCNC(=O)CN[C@H](c1ccccc1)C1CCCC1 ZINC000171935258 335085799 /nfs/dbraw/zinc/08/57/99/335085799.db2.gz DAYKUBBFVMAWGE-MRXNPFEDSA-N 0 3 271.364 2.147 20 30 CEEDHN N#CCNC(=O)CN[C@@H](c1ccccc1)C1CCCC1 ZINC000171935252 335085825 /nfs/dbraw/zinc/08/58/25/335085825.db2.gz DAYKUBBFVMAWGE-INIZCTEOSA-N 0 3 271.364 2.147 20 30 CEEDHN C=CC[C@H](CO)CNCc1cc(Cl)c2c(c1)OCCO2 ZINC000341285230 263330257 /nfs/dbraw/zinc/33/02/57/263330257.db2.gz XJRBSQGKTMTLMM-NSHDSACASA-N 0 3 297.782 2.385 20 30 CEEDHN C=CC[C@H](CO)CNCc1cnn(-c2ccc(F)cc2)c1 ZINC000341326222 263331511 /nfs/dbraw/zinc/33/15/11/263331511.db2.gz WOZFVXXSBYBKOO-ZDUSSCGKSA-N 0 3 289.354 2.286 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N1CCN(C)CC[C@H]1C ZINC000341504587 263339793 /nfs/dbraw/zinc/33/97/93/263339793.db2.gz HOCBSPPOAHVHKB-CHWSQXEVSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CC[C@H](CO)CN[C@@H](C)c1cnc2cc(C)nn2c1C ZINC000341883452 263361909 /nfs/dbraw/zinc/36/19/09/263361909.db2.gz IUDNEZQIORSWJM-JSGCOSHPSA-N 0 3 288.395 2.181 20 30 CEEDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCCCC#N ZINC000342099721 263387102 /nfs/dbraw/zinc/38/71/02/263387102.db2.gz KILKFNYEALVYIV-HIFRSBDPSA-N 0 3 274.364 2.300 20 30 CEEDHN CC[C@H](NC(=O)N(C)CCN(C)C)c1c(C)noc1C ZINC000330462770 263942308 /nfs/dbraw/zinc/94/23/08/263942308.db2.gz BRXIHOPSWAIZCN-LBPRGKRZSA-N 0 3 282.388 2.150 20 30 CEEDHN C#C[C@H]1CC[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000874863187 649858213 /nfs/dbraw/zinc/85/82/13/649858213.db2.gz KANNGTKMKGOXHL-AJNGGQMLSA-N 0 3 262.397 2.167 20 30 CEEDHN CCN1CCC[C@H](NC(=O)NCC[C@@H]2CCO[C@H](C)C2)C1 ZINC000330856262 264054849 /nfs/dbraw/zinc/05/48/49/264054849.db2.gz TWFGTTXVMRNIRH-KFWWJZLASA-N 0 3 297.443 2.180 20 30 CEEDHN COCc1nc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cs1 ZINC000330918805 264093272 /nfs/dbraw/zinc/09/32/72/264093272.db2.gz XPSTXWPUUWKHSJ-VHSXEESVSA-N 0 3 283.397 2.077 20 30 CEEDHN COC(=O)[C@H]1CCN(Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000331067485 264112331 /nfs/dbraw/zinc/11/23/31/264112331.db2.gz RKIBTQPODRTVCW-BBRMVZONSA-N 0 3 286.375 2.384 20 30 CEEDHN CCNC(=O)NC(=O)[C@@H](C)N(C)[C@@H](C)C1CCCCC1 ZINC000331349690 264205901 /nfs/dbraw/zinc/20/59/01/264205901.db2.gz UYGFJBSDLBUZNZ-NWDGAFQWSA-N 0 3 283.416 2.326 20 30 CEEDHN C=CC[C@H]1N([C@@H](C)C(=O)NC(=O)NCC)CCCC1(C)C ZINC000334108477 264235827 /nfs/dbraw/zinc/23/58/27/264235827.db2.gz CTEOOVXQPFHTQR-QWHCGFSZSA-N 0 3 295.427 2.287 20 30 CEEDHN C=CCN1CC[C@H](N2CCCc3ccccc3C2)C1=O ZINC000281138782 264467077 /nfs/dbraw/zinc/46/70/77/264467077.db2.gz ALOWOCFPUBPMHG-INIZCTEOSA-N 0 3 270.376 2.222 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCCO[C@@H](CC)C1 ZINC000281427003 264486898 /nfs/dbraw/zinc/48/68/98/264486898.db2.gz PCENMVZSZBKICU-CABCVRRESA-N 0 3 280.412 2.076 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2nc(C)oc2C)CC1 ZINC000293024064 264915634 /nfs/dbraw/zinc/91/56/34/264915634.db2.gz IFAFLCNTAFFMJH-UHFFFAOYSA-N 0 3 277.368 2.062 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](C)c1c(F)cccc1F ZINC000294080564 265005125 /nfs/dbraw/zinc/00/51/25/265005125.db2.gz WSONKUKJFQPKHU-GFCCVEGCSA-N 0 3 294.345 2.140 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000334917669 265080165 /nfs/dbraw/zinc/08/01/65/265080165.db2.gz QKEIYPYEEYZIQS-HZMBPMFUSA-N 0 3 253.305 2.212 20 30 CEEDHN CC(C#N)C(=O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000349581404 265199098 /nfs/dbraw/zinc/19/90/98/265199098.db2.gz NKFGPYYGIWLJKB-DZGCQCFKSA-N 0 3 272.348 2.006 20 30 CEEDHN C=CCCCCN1CCC[C@H](S(C)(=O)=O)CC1 ZINC000514581414 266004106 /nfs/dbraw/zinc/00/41/06/266004106.db2.gz PZHSCCVYZZFFCK-ZDUSSCGKSA-N 0 3 259.415 2.242 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000320921936 266007592 /nfs/dbraw/zinc/00/75/92/266007592.db2.gz CVBMPGLDMXHPAJ-GFCCVEGCSA-N 0 3 280.324 2.020 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000320921938 266007770 /nfs/dbraw/zinc/00/77/70/266007770.db2.gz CVBMPGLDMXHPAJ-LBPRGKRZSA-N 0 3 280.324 2.020 20 30 CEEDHN C=CCCCC(=O)N(CCC)CCN1CCN(CC)CC1 ZINC000356581814 266141461 /nfs/dbraw/zinc/14/14/61/266141461.db2.gz QZCKIPURRMPNOA-UHFFFAOYSA-N 0 3 295.471 2.219 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]cc2C)CC1 ZINC000357591405 266331510 /nfs/dbraw/zinc/33/15/10/266331510.db2.gz SJSAYROVVLLVBX-UHFFFAOYSA-N 0 3 261.369 2.093 20 30 CEEDHN CC(C#N)C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000357839892 266373952 /nfs/dbraw/zinc/37/39/52/266373952.db2.gz WQJNDRCJBORXIU-VIFPVBQESA-N 0 3 294.738 2.277 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(CC)C[C@H](C)OC)CC1 ZINC000361986563 266915319 /nfs/dbraw/zinc/91/53/19/266915319.db2.gz FPFWIMFXZDIUOO-AWEZNQCLSA-N 0 3 297.443 2.093 20 30 CEEDHN C=C[C@H](C)NC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000362381571 266976329 /nfs/dbraw/zinc/97/63/29/266976329.db2.gz ZIBRDWWXYDGQSL-YNEHKIRRSA-N 0 3 253.390 2.123 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000362628647 267026090 /nfs/dbraw/zinc/02/60/90/267026090.db2.gz VWIWMTJHGOQQES-KFWWJZLASA-N 0 3 282.428 2.060 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000362659192 267030604 /nfs/dbraw/zinc/03/06/04/267030604.db2.gz PUOHYGUAACEFHQ-INIZCTEOSA-N 0 3 294.439 2.181 20 30 CEEDHN CCC[C@@H](C)CN1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000471803598 267031240 /nfs/dbraw/zinc/03/12/40/267031240.db2.gz IKUROIAXYBGGLH-CYBMUJFWSA-N 0 3 289.427 2.158 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1cn(C)nc1C ZINC000362828364 267052408 /nfs/dbraw/zinc/05/24/08/267052408.db2.gz FQMGSCLVHLVWMS-DZGCQCFKSA-N 0 3 263.385 2.193 20 30 CEEDHN C=CCNC(=O)CN1C[C@@H](c2cccs2)C[C@H]1C ZINC000363258733 267083002 /nfs/dbraw/zinc/08/30/02/267083002.db2.gz INMOZVZYCCJTAN-NEPJUHHUSA-N 0 3 264.394 2.228 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000367976565 267132153 /nfs/dbraw/zinc/13/21/53/267132153.db2.gz LLUPNNJICGRWBV-KGLIPLIRSA-N 0 3 278.396 2.199 20 30 CEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCCCCC#N)C1 ZINC000368240615 267153830 /nfs/dbraw/zinc/15/38/30/267153830.db2.gz MDOFZGJBBCJDCR-AWEZNQCLSA-N 0 3 269.364 2.009 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc(C#N)[nH]c1C ZINC000448981022 267200122 /nfs/dbraw/zinc/20/01/22/267200122.db2.gz DPCYOFPZFPQDFO-CQSZACIVSA-N 0 3 288.395 2.189 20 30 CEEDHN CC[C@H](N[C@@H]1CC(=O)N(CC)C1)c1ccc(C#N)cc1 ZINC000453355347 267223272 /nfs/dbraw/zinc/22/32/72/267223272.db2.gz LIBQWQJWJKEQRC-CABCVRRESA-N 0 3 271.364 2.220 20 30 CEEDHN CC[C@H]1[C@@H](CO)CCN1Cc1ccc(C#N)cc1OC ZINC000451256791 267236491 /nfs/dbraw/zinc/23/64/91/267236491.db2.gz PIHPONSSNAFSNV-CABCVRRESA-N 0 3 274.364 2.160 20 30 CEEDHN C#CCN1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000369523656 267247660 /nfs/dbraw/zinc/24/76/60/267247660.db2.gz XBJSWGOCYKPKEM-INIZCTEOSA-N 0 3 262.397 2.123 20 30 CEEDHN CC#CCCN1C[C@@H](CC)O[C@]2(CCCOC2)C1 ZINC000369803474 267268193 /nfs/dbraw/zinc/26/81/93/267268193.db2.gz BBXYWSNNEHPQDC-HUUCEWRRSA-N 0 3 251.370 2.060 20 30 CEEDHN CN(C)CC1(NCc2cccc(F)c2C#N)CCC1 ZINC000428941425 267278477 /nfs/dbraw/zinc/27/84/77/267278477.db2.gz VQADVNUOSGHATM-UHFFFAOYSA-N 0 3 261.344 2.271 20 30 CEEDHN CN(Cc1ccc(C#N)o1)[C@H](CO)CC(C)(C)C ZINC000449592828 267315273 /nfs/dbraw/zinc/31/52/73/267315273.db2.gz ZAKPGJNJTIJPGO-NSHDSACASA-N 0 3 250.342 2.380 20 30 CEEDHN CN1CC[C@H](Nc2cc(C#N)ncn2)[C@@H]1c1ccccc1 ZINC000516897626 267341304 /nfs/dbraw/zinc/34/13/04/267341304.db2.gz BMCUHWILBKXEIF-HOCLYGCPSA-N 0 3 279.347 2.206 20 30 CEEDHN COC(=O)C[C@@H]1CC[C@H](NCC2(C#N)CCC2)[C@H]1C ZINC000418145479 267366752 /nfs/dbraw/zinc/36/67/52/267366752.db2.gz YFPPJYDRRJMBQO-AVGNSLFASA-N 0 3 264.369 2.248 20 30 CEEDHN COc1cc(CN2C[C@@H](C)N(C)C[C@@H]2C)ccc1C#N ZINC000442843385 267584603 /nfs/dbraw/zinc/58/46/03/267584603.db2.gz SLBSSKYSSHFTNF-OLZOCXBDSA-N 0 3 273.380 2.091 20 30 CEEDHN N#CCCCN1CCC(O)(Cc2ccccc2F)CC1 ZINC000376647839 268006232 /nfs/dbraw/zinc/00/62/32/268006232.db2.gz AWNLHEODSMTXBF-UHFFFAOYSA-N 0 3 276.355 2.499 20 30 CEEDHN C=CCC[C@H](O)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000376739101 268013232 /nfs/dbraw/zinc/01/32/32/268013232.db2.gz WRQKYXJZUHFLPY-HNNXBMFYSA-N 0 3 285.391 2.266 20 30 CEEDHN Cc1ccnc(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1C#N ZINC000488741540 268063940 /nfs/dbraw/zinc/06/39/40/268063940.db2.gz ZKCUXVKNGTUECT-JGGQBBKZSA-N 0 3 284.407 2.428 20 30 CEEDHN N#Cc1ccc(CNCC2(O)Cc3ccccc3C2)cc1F ZINC000515231708 268231947 /nfs/dbraw/zinc/23/19/47/268231947.db2.gz GFYRYHNYVIFWQK-UHFFFAOYSA-N 0 3 296.345 2.317 20 30 CEEDHN CC(C)(CC#N)CNCc1cnc2ccc(C#N)cn12 ZINC000459739716 269601886 /nfs/dbraw/zinc/60/18/86/269601886.db2.gz YZILJUOEIVMKRE-UHFFFAOYSA-N 0 3 267.336 2.235 20 30 CEEDHN C[C@H](c1ccccc1)[C@H](NCc1ccc(C#N)cc1)C(N)=O ZINC000428825815 271295655 /nfs/dbraw/zinc/29/56/55/271295655.db2.gz BMCLDEOPQJSXLI-DYVFJYSZSA-N 0 3 293.370 2.305 20 30 CEEDHN CC(C)(O)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352855621 273507957 /nfs/dbraw/zinc/50/79/57/273507957.db2.gz TZFBNUVJWMKMST-UHFFFAOYSA-N 0 3 272.270 2.438 20 30 CEEDHN CC[C@@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)N(C)C ZINC000416340519 273713562 /nfs/dbraw/zinc/71/35/62/273713562.db2.gz KFYYCHAXUVLXKN-HOTGVXAUSA-N 0 3 285.391 2.392 20 30 CEEDHN C[C@@H](CCO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000352846945 274210258 /nfs/dbraw/zinc/21/02/58/274210258.db2.gz UBDHJEZMENAUFH-VIFPVBQESA-N 0 3 272.270 2.438 20 30 CEEDHN C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@H]1CC=CCC1 ZINC000091936547 274370513 /nfs/dbraw/zinc/37/05/13/274370513.db2.gz QYMJZNODXAHDEB-CABCVRRESA-N 0 3 297.406 2.215 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000335975085 276160250 /nfs/dbraw/zinc/16/02/50/276160250.db2.gz MPEMUEYPRRQFNU-AWEZNQCLSA-N 0 3 292.427 2.196 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC000329854640 276168220 /nfs/dbraw/zinc/16/82/20/276168220.db2.gz WQJBDNOXSFHXOA-CHWSQXEVSA-N 0 3 290.411 2.281 20 30 CEEDHN COC(=O)[C@@H]1CC[C@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353594563 277357129 /nfs/dbraw/zinc/35/71/29/277357129.db2.gz HGTQJQLFFQIADB-YCPHGPKFSA-N 0 3 284.359 2.477 20 30 CEEDHN C#CCCNC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000264994561 277673868 /nfs/dbraw/zinc/67/38/68/277673868.db2.gz XRBUARPLWYKVRR-INIZCTEOSA-N 0 3 287.407 2.392 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000186122785 277706216 /nfs/dbraw/zinc/70/62/16/277706216.db2.gz UYQBUSMVXHIHGA-GOEBONIOSA-N 0 3 285.391 2.144 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000347703021 277871428 /nfs/dbraw/zinc/87/14/28/277871428.db2.gz GQWQOAAQVQSWPZ-BFHYXJOUSA-N 0 3 280.412 2.005 20 30 CEEDHN C=C[C@@](C)(O)CC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000346272117 277909434 /nfs/dbraw/zinc/90/94/34/277909434.db2.gz CBIFNVFSOQEQPE-NVXWUHKLSA-N 0 3 290.407 2.041 20 30 CEEDHN CS[C@H]1CN(CC#Cc2ccccc2)C[C@H]1N(C)C ZINC000277090325 278166552 /nfs/dbraw/zinc/16/65/52/278166552.db2.gz YVMDEYJXYQOQPV-CVEARBPZSA-N 0 3 274.433 2.016 20 30 CEEDHN C[C@@H](CC(=O)N(C)C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000417383732 278220441 /nfs/dbraw/zinc/22/04/41/278220441.db2.gz KPGXZUKENFBIOG-LRDDRELGSA-N 0 3 285.391 2.392 20 30 CEEDHN C[C@H](CN1CCCC1=O)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353258715 279299551 /nfs/dbraw/zinc/29/95/51/279299551.db2.gz RLJXDIDRJAFDLS-MLGOLLRUSA-N 0 3 283.375 2.146 20 30 CEEDHN C[C@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)N(C)C ZINC000263676382 279339537 /nfs/dbraw/zinc/33/95/37/279339537.db2.gz LJKSBCFNUWSLDV-LLVKDONJSA-N 0 3 291.399 2.186 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2N2CCOCC2)C1 ZINC000349822448 279484369 /nfs/dbraw/zinc/48/43/69/279484369.db2.gz PMHJMSIVAFMZFO-ZBFHGGJFSA-N 0 3 285.391 2.305 20 30 CEEDHN CC[C@@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346247436 280279161 /nfs/dbraw/zinc/27/91/61/280279161.db2.gz GAFVXNNFONBKIU-ZIAGYGMSSA-N 0 3 277.412 2.449 20 30 CEEDHN CC[C@H]1CCCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000117344747 281075787 /nfs/dbraw/zinc/07/57/87/281075787.db2.gz ROZZHGKUPATLKO-KBPBESRZSA-N 0 3 265.401 2.259 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346247835 288384173 /nfs/dbraw/zinc/38/41/73/288384173.db2.gz WNUTXDMFIVWCLX-IXYNUQLISA-N 0 3 277.412 2.115 20 30 CEEDHN COc1cc(C#N)ccc1OCCSCCN(C)C ZINC000157791487 289221487 /nfs/dbraw/zinc/22/14/87/289221487.db2.gz MDIBFARPARSKHA-UHFFFAOYSA-N 0 3 280.393 2.240 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000336592472 289236588 /nfs/dbraw/zinc/23/65/88/289236588.db2.gz YYMRIAVVHCRENI-KCJUWKMLSA-N 0 3 264.712 2.439 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(CC)CCC1CC1 ZINC000355056591 527608245 /nfs/dbraw/zinc/60/82/45/527608245.db2.gz KPQBXTVNQPZFCY-UHFFFAOYSA-N 0 3 250.386 2.309 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000333022929 303160574 /nfs/dbraw/zinc/16/05/74/303160574.db2.gz AIDZOKSTEQTCFH-RDBSUJKOSA-N 0 3 275.396 2.202 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)NC1CCN(C)CC1 ZINC000178555888 312733926 /nfs/dbraw/zinc/73/39/26/312733926.db2.gz AZNJPWGCWJNMBZ-UHFFFAOYSA-N 0 3 272.352 2.082 20 30 CEEDHN C[C@H](N[C@@H]1CSC[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000507230786 313045348 /nfs/dbraw/zinc/04/53/48/313045348.db2.gz OZYOWFZHSDQOQC-UHIISALHSA-N 0 3 289.404 2.226 20 30 CEEDHN Cn1ccnc1[C@@H]1CCN(CCOc2ccc(C#N)cc2)C1 ZINC000535316476 313390412 /nfs/dbraw/zinc/39/04/12/313390412.db2.gz GOBVPZIUDHOPEZ-OAHLLOKOSA-N 0 3 296.374 2.160 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1[C@@H](C)C[C@@H]1C ZINC000547768936 313543490 /nfs/dbraw/zinc/54/34/90/313543490.db2.gz WDJJXIAWZOJJRT-RYUDHWBXSA-N 0 3 260.337 2.428 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@H](CO)CC3CCCC3)n2c1 ZINC000551803441 313598142 /nfs/dbraw/zinc/59/81/42/313598142.db2.gz ZLOAUPIHMCYOMY-HNNXBMFYSA-N 0 3 298.390 2.237 20 30 CEEDHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000575123909 314207505 /nfs/dbraw/zinc/20/75/05/314207505.db2.gz AQLWZULFRHMSCT-AGIUHOORSA-N 0 3 283.379 2.467 20 30 CEEDHN Cc1cc(C(=O)N[C@H]2CCN(C3CCCC3)C2)ncc1C#N ZINC000576085272 314239653 /nfs/dbraw/zinc/23/96/53/314239653.db2.gz BFVSIIJWHLLFRU-AWEZNQCLSA-N 0 3 298.390 2.008 20 30 CEEDHN N#Cc1cccc(N2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000577466743 314379483 /nfs/dbraw/zinc/37/94/83/314379483.db2.gz QRQLGMKMGCVZHP-CYBMUJFWSA-N 0 3 286.335 2.141 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)CC(C)(C)C ZINC000339250929 328003489 /nfs/dbraw/zinc/00/34/89/328003489.db2.gz NWRYWADIECATJW-CQSZACIVSA-N 0 3 253.390 2.019 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2(CCF)CC2)CC1 ZINC000354252274 328011851 /nfs/dbraw/zinc/01/18/51/328011851.db2.gz CLRNXBKFHTWMMQ-UHFFFAOYSA-N 0 3 268.376 2.283 20 30 CEEDHN CC1(C)[C@H](O)C[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000563363365 328059000 /nfs/dbraw/zinc/05/90/00/328059000.db2.gz JGEYSTLOSILKPG-UONOGXRCSA-N 0 3 263.768 2.441 20 30 CEEDHN N#CC1(CN[C@@H](C2CCOCC2)C2(CO)CCC2)CCC1 ZINC000563339572 328054813 /nfs/dbraw/zinc/05/48/13/328054813.db2.gz XRYAFMHLNSCVQV-HNNXBMFYSA-N 0 3 292.423 2.228 20 30 CEEDHN N#CC1(C(=O)NC[C@H]2NCCc3ccccc32)CCCC1 ZINC000563337854 328054849 /nfs/dbraw/zinc/05/48/49/328054849.db2.gz FVERVLOCSDQUSM-OAHLLOKOSA-N 0 3 283.375 2.074 20 30 CEEDHN C#CCCCNCc1nc2c(s1)CN(C(C)C)CC2 ZINC000378651331 329058359 /nfs/dbraw/zinc/05/83/59/329058359.db2.gz RSBAUDBDACPFLM-UHFFFAOYSA-N 0 3 277.437 2.413 20 30 CEEDHN C=CCOc1ccc(CN(C)[C@H](CO)COC(C)C)cc1 ZINC000571208681 328093278 /nfs/dbraw/zinc/09/32/78/328093278.db2.gz YZYXMIZHWWXDKV-MRXNPFEDSA-N 0 3 293.407 2.469 20 30 CEEDHN C=CCCCCCN(C)[C@@H](C)C(=O)N(C)CCC#N ZINC000265793201 328166700 /nfs/dbraw/zinc/16/67/00/328166700.db2.gz MREOZRBLMSVKSI-AWEZNQCLSA-N 0 3 265.401 2.425 20 30 CEEDHN CC[C@H](C)NC(=[NH2+])NCc1c([O-])ccc2c1CCCC2 ZINC000267395162 328177987 /nfs/dbraw/zinc/17/79/87/328177987.db2.gz DVSITEQZBMFVGB-NSHDSACASA-N 0 3 275.396 2.474 20 30 CEEDHN COCCCOc1cccc(CNCCCC#N)c1 ZINC000273017201 328202713 /nfs/dbraw/zinc/20/27/13/328202713.db2.gz DATIXVPEMBBIKD-UHFFFAOYSA-N 0 3 262.353 2.495 20 30 CEEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000274641937 328212437 /nfs/dbraw/zinc/21/24/37/328212437.db2.gz RJNMWUYMABFIAV-SGMGOOAPSA-N 0 3 292.404 2.433 20 30 CEEDHN CN(C[C@H](O)COCc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC000278538019 328226829 /nfs/dbraw/zinc/22/68/29/328226829.db2.gz FZUAVBSNHJKYPB-IKGGRYGDSA-N 0 3 288.391 2.188 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1C[C@@H](OCC)C1(CC)CC ZINC000178665727 329201110 /nfs/dbraw/zinc/20/11/10/329201110.db2.gz URYQXNOLLIOCCA-BFHYXJOUSA-N 0 3 282.428 2.251 20 30 CEEDHN C=C(C)CN(C)Cc1cn(C)nc1-c1ccncc1 ZINC000181044108 329225085 /nfs/dbraw/zinc/22/50/85/329225085.db2.gz XDCCFVWZVJUOGI-UHFFFAOYSA-N 0 3 256.353 2.490 20 30 CEEDHN CN(C(=O)C1CCN(C2CC2)CC1)c1cccc(C#N)c1 ZINC000195381778 321819183 /nfs/dbraw/zinc/81/91/83/321819183.db2.gz NBTAJJDKCLTOTD-UHFFFAOYSA-N 0 3 283.375 2.395 20 30 CEEDHN Cc1cc(CN2CCC(CCO)CC2)ccc1C#N ZINC000579905757 321899690 /nfs/dbraw/zinc/89/96/90/321899690.db2.gz XBQYTQGYSMVSHT-UHFFFAOYSA-N 0 3 258.365 2.461 20 30 CEEDHN CC[C@H]1CN(C)CCN1Cc1ccc(F)cc1C#N ZINC000581008027 322361819 /nfs/dbraw/zinc/36/18/19/322361819.db2.gz YMAFCAAWRUCIHH-HNNXBMFYSA-N 0 3 261.344 2.223 20 30 CEEDHN CO[C@H]1C[C@@H](N(C)C(=O)C(C#N)CCc2ccccc2)C1 ZINC000557444363 327005723 /nfs/dbraw/zinc/00/57/23/327005723.db2.gz RJWDUIPELDQTEL-OAGGEKHMSA-N 0 3 286.375 2.395 20 30 CEEDHN C#CCN(C(=O)NCCN1CCC(C)CC1)C1CCCC1 ZINC000163318020 327171282 /nfs/dbraw/zinc/17/12/82/327171282.db2.gz ZRZARDOPLNGOAR-UHFFFAOYSA-N 0 3 291.439 2.306 20 30 CEEDHN CC#CCCN(C)CCN1CCN(c2ccccc2)CC1 ZINC000155756155 327396368 /nfs/dbraw/zinc/39/63/68/327396368.db2.gz RDVJAIWUFLZIPE-UHFFFAOYSA-N 0 3 285.435 2.154 20 30 CEEDHN CC[C@H](C)N[C@H](CNC(=O)NC[C@H](C)C#N)c1ccco1 ZINC000561514329 327400072 /nfs/dbraw/zinc/40/00/72/327400072.db2.gz PJIKPBCDXJRXKU-FRRDWIJNSA-N 0 3 292.383 2.168 20 30 CEEDHN C=CC[C@@H](CC)NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000353158614 328854274 /nfs/dbraw/zinc/85/42/74/328854274.db2.gz WZUNAAQMPDMJLG-CQSZACIVSA-N 0 3 296.436 2.381 20 30 CEEDHN CCc1ccc([C@H](CNC(=O)[C@H](C)C#N)N(C)C)cc1 ZINC000357828132 328876476 /nfs/dbraw/zinc/87/64/76/328876476.db2.gz OEAYBNCRQXZAGF-DOMZBBRYSA-N 0 3 273.380 2.128 20 30 CEEDHN C#Cc1ccc(CN[C@@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000377613686 329020279 /nfs/dbraw/zinc/02/02/79/329020279.db2.gz FFCWZVBLRUFTDL-QZTJIDSGSA-N 0 3 263.340 2.416 20 30 CEEDHN CN(C(=O)[C@@H]1CC12CCN(CCCC#N)CC2)C1CC1 ZINC000378463133 329051699 /nfs/dbraw/zinc/05/16/99/329051699.db2.gz PBXOMTILUHHAHO-AWEZNQCLSA-N 0 3 275.396 2.013 20 30 CEEDHN C=CCN1CCC(NC(=O)c2csc(C3CC3)n2)CC1 ZINC000171717455 329078839 /nfs/dbraw/zinc/07/88/39/329078839.db2.gz IVAOGDHHWLNQNY-UHFFFAOYSA-N 0 3 291.420 2.401 20 30 CEEDHN C#CCOc1ccccc1CN[C@H]1Cc2ccccc2[C@@H]1O ZINC000172068770 329080618 /nfs/dbraw/zinc/08/06/18/329080618.db2.gz WALGMNMFDLMSPO-HKUYNNGSSA-N 0 3 293.366 2.447 20 30 CEEDHN C[C@H](C#N)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000174322858 329157426 /nfs/dbraw/zinc/15/74/26/329157426.db2.gz QLTRCJQVTGBVIU-SNVBAGLBSA-N 0 3 271.320 2.136 20 30 CEEDHN C=CCSCCNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000174421713 329158749 /nfs/dbraw/zinc/15/87/49/329158749.db2.gz BBKYHCAJTJGMOH-CHWSQXEVSA-N 0 3 285.457 2.030 20 30 CEEDHN C=CCSCCNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000174421730 329158910 /nfs/dbraw/zinc/15/89/10/329158910.db2.gz BBKYHCAJTJGMOH-QWHCGFSZSA-N 0 3 285.457 2.030 20 30 CEEDHN C=CCSCCNC(=O)[C@H](C)N1CCCCCC1 ZINC000175763583 329171586 /nfs/dbraw/zinc/17/15/86/329171586.db2.gz FCIMOSCCEKQNCB-ZDUSSCGKSA-N 0 3 270.442 2.286 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2c(C)onc2CC)CC1 ZINC000179430022 329208528 /nfs/dbraw/zinc/20/85/28/329208528.db2.gz MRABMDNZBHMSJP-UHFFFAOYSA-N 0 3 292.383 2.317 20 30 CEEDHN CC(C)CN1CCN(CC#Cc2ccccc2)CC1 ZINC000191852862 329424250 /nfs/dbraw/zinc/42/42/50/329424250.db2.gz GZRBGVMRTHBUEU-UHFFFAOYSA-N 0 3 256.393 2.312 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccc(OC)cc1F ZINC000320624777 329959496 /nfs/dbraw/zinc/95/94/96/329959496.db2.gz IZPXOXCMJILHFQ-GFCCVEGCSA-N 0 3 253.317 2.251 20 30 CEEDHN C[C@H]1CCC[C@]1(O)CNC(=N)Nc1cc(F)ccc1F ZINC000263099937 330043550 /nfs/dbraw/zinc/04/35/50/330043550.db2.gz JUPTVOZPEAZSTQ-XPTSAGLGSA-N 0 3 283.322 2.243 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2nc(C)c(C)o2)CC1 ZINC000264364652 330061166 /nfs/dbraw/zinc/06/11/66/330061166.db2.gz HNVFXNVMSKWGAF-UHFFFAOYSA-N 0 3 292.383 2.453 20 30 CEEDHN C#CCN(CC)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000270372970 330075105 /nfs/dbraw/zinc/07/51/05/330075105.db2.gz DKWKOCOEDZUZAN-JKSUJKDBSA-N 0 3 285.391 2.097 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H](C)c1ccc(C)c(C)c1O ZINC000273409310 330093191 /nfs/dbraw/zinc/09/31/91/330093191.db2.gz HPAGJLKHFFSHND-CYBMUJFWSA-N 0 3 297.420 2.260 20 30 CEEDHN C#CCN(CC)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000274206239 330104204 /nfs/dbraw/zinc/10/42/04/330104204.db2.gz MFOIVLJIUJEYPQ-RDJZCZTQSA-N 0 3 299.418 2.172 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]2CC)CC1 ZINC000162730117 330110583 /nfs/dbraw/zinc/11/05/83/330110583.db2.gz BZYWSEPCUKANCK-UKRRQHHQSA-N 0 3 262.397 2.027 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H](C)C[C@H]1COCCN1 ZINC000422909391 330159808 /nfs/dbraw/zinc/15/98/08/330159808.db2.gz NXZBQQDBURHMET-HOCLYGCPSA-N 0 3 290.407 2.108 20 30 CEEDHN C=CCCCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000424009965 330217805 /nfs/dbraw/zinc/21/78/05/330217805.db2.gz KDKNHFFMYHDFFJ-LSDHHAIUSA-N 0 3 276.355 2.435 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC(c2ccccc2)CC1 ZINC000424061160 330218617 /nfs/dbraw/zinc/21/86/17/330218617.db2.gz DYADYVOCBKSMHS-INIZCTEOSA-N 0 3 285.391 2.414 20 30 CEEDHN C[C@@H](CCc1ccccc1)NC(=O)[C@H](N)CCCC#N ZINC000424073703 330220509 /nfs/dbraw/zinc/22/05/09/330220509.db2.gz FYZPAGMPWWYJFE-DZGCQCFKSA-N 0 3 273.380 2.145 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000424084107 330222532 /nfs/dbraw/zinc/22/25/32/330222532.db2.gz DLCGBENWDYXJPR-LSDHHAIUSA-N 0 3 271.364 2.024 20 30 CEEDHN CC(C)(C)C1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424111720 330239952 /nfs/dbraw/zinc/23/99/52/330239952.db2.gz HDILZGCPIHAJDT-ZDUSSCGKSA-N 0 3 265.401 2.292 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000424112875 330241157 /nfs/dbraw/zinc/24/11/57/330241157.db2.gz LSCMQXCFNVYXAE-UONOGXRCSA-N 0 3 287.363 2.038 20 30 CEEDHN CCOCc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424114876 330242867 /nfs/dbraw/zinc/24/28/67/330242867.db2.gz SOURBJLFFWTUGE-AWEZNQCLSA-N 0 3 275.352 2.183 20 30 CEEDHN CC(C)[C@H]1CCCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424127028 330259396 /nfs/dbraw/zinc/25/93/96/330259396.db2.gz POPSTLORDHPEAP-UONOGXRCSA-N 0 3 265.401 2.292 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(OC)cc(C)n1 ZINC000424166706 330309316 /nfs/dbraw/zinc/30/93/16/330309316.db2.gz CXHJCQIMSKUQTK-WFASDCNBSA-N 0 3 262.353 2.079 20 30 CEEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccc(F)c1F ZINC000424172984 330313333 /nfs/dbraw/zinc/31/33/33/330313333.db2.gz MLJJRPLKSZKBSA-BXKDBHETSA-N 0 3 281.306 2.163 20 30 CEEDHN C[C@@H]1CC[C@]2(CCN(C(=O)[C@H](N)CCCC#N)C2)C1 ZINC000424182839 330319968 /nfs/dbraw/zinc/31/99/68/330319968.db2.gz AKZSMQOFMQNXRL-NFAWXSAZSA-N 0 3 263.385 2.046 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCCc2sccc21 ZINC000424196183 330325247 /nfs/dbraw/zinc/32/52/47/330325247.db2.gz VBWREQNTEOXQMX-RYUDHWBXSA-N 0 3 277.393 2.263 20 30 CEEDHN CC(C)c1nnc(CCN[C@H]2CC[C@@H](C#N)C2)s1 ZINC000426312649 330503758 /nfs/dbraw/zinc/50/37/58/330503758.db2.gz UDGILANMLZPSKK-MNOVXSKESA-N 0 3 264.398 2.486 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C)(OCC)CC1 ZINC000428722287 330530351 /nfs/dbraw/zinc/53/03/51/330530351.db2.gz PAPIHAJUINWCSI-OAHLLOKOSA-N 0 3 294.439 2.467 20 30 CEEDHN CC(=O)Nc1ccc(CNCC2(CC#N)CC2)cc1 ZINC000430065648 330558406 /nfs/dbraw/zinc/55/84/06/330558406.db2.gz MCCUYWOBQRQRAT-UHFFFAOYSA-N 0 3 257.337 2.428 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@@H](CO)Cc2ccc(F)cc2)C1 ZINC000442820747 330785549 /nfs/dbraw/zinc/78/55/49/330785549.db2.gz AHBPXUUPPKFJNP-BPLDGKMQSA-N 0 3 262.328 2.011 20 30 CEEDHN Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCC[C@H](C#N)C1 ZINC000447539649 330868961 /nfs/dbraw/zinc/86/89/61/330868961.db2.gz HMMXBXLIFUNOAZ-SCRDCRAPSA-N 0 3 258.369 2.469 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000449694912 330944108 /nfs/dbraw/zinc/94/41/08/330944108.db2.gz CVFXZBZRVKBXSP-DOMZBBRYSA-N 0 3 291.391 2.435 20 30 CEEDHN C[C@H]1CN(CCCC#N)C(C)(C)CN1CCCC#N ZINC000451082539 331015232 /nfs/dbraw/zinc/01/52/32/331015232.db2.gz UNZLUYOFSSAWCJ-AWEZNQCLSA-N 0 3 262.401 2.379 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(C)[C@H](C)c1ccccc1 ZINC000451595176 331035415 /nfs/dbraw/zinc/03/54/15/331035415.db2.gz CNEASRMATYWGLO-BMFZPTHFSA-N 0 3 288.391 2.139 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000451600162 331035784 /nfs/dbraw/zinc/03/57/84/331035784.db2.gz QENWJGLIPSNTJC-DFBGVHRSSA-N 0 3 292.354 2.394 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000451607280 331036455 /nfs/dbraw/zinc/03/64/55/331036455.db2.gz PDUGNMSPLOYTMA-IUPBHXKESA-N 0 3 296.317 2.225 20 30 CEEDHN CN(C)C(=O)N[C@@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000451984917 331049422 /nfs/dbraw/zinc/04/94/22/331049422.db2.gz DKTHONOSBZYYKW-CYBMUJFWSA-N 0 3 280.416 2.052 20 30 CEEDHN C=CCC1(C(=O)NC[C@@H]2CCCCN2CCO)CCCC1 ZINC000452373744 331063451 /nfs/dbraw/zinc/06/34/51/331063451.db2.gz HTGCWYVIRRDVJO-HNNXBMFYSA-N 0 3 294.439 2.086 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1COc1ccccc1 ZINC000452555492 331068634 /nfs/dbraw/zinc/06/86/34/331068634.db2.gz YMYUTJUVIXBWNA-STQMWFEESA-N 0 3 258.321 2.216 20 30 CEEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000453350912 331120640 /nfs/dbraw/zinc/12/06/40/331120640.db2.gz JZRSQLFJDOAOBF-BBEGDGIKSA-N 0 3 281.421 2.402 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000453351036 331120744 /nfs/dbraw/zinc/12/07/44/331120744.db2.gz JALFIYUJMIKVHD-IGPXVZFTSA-N 0 3 279.405 2.418 20 30 CEEDHN C=C(CC)CN[C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000453368189 331123640 /nfs/dbraw/zinc/12/36/40/331123640.db2.gz QCNPAEPXBCWKSU-LBPRGKRZSA-N 0 3 257.341 2.279 20 30 CEEDHN C=C(C)CCNC(=O)NCCN1CCCC[C@H]1C ZINC000454304378 331143848 /nfs/dbraw/zinc/14/38/48/331143848.db2.gz OOTHDPAWNKJMQE-CYBMUJFWSA-N 0 3 253.390 2.126 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000457458111 331223651 /nfs/dbraw/zinc/22/36/51/331223651.db2.gz PALXNVGCFHHNST-BZUAXINKSA-N 0 3 294.439 2.206 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H](CC)CC(F)F)CC1 ZINC000457548690 331226638 /nfs/dbraw/zinc/22/66/38/331226638.db2.gz YFTAUUIKHQDXFJ-NSHDSACASA-N 0 3 274.355 2.434 20 30 CEEDHN C[C@H](C#N)CN(C(=O)C1CN(C2CCCCC2)C1)C1CC1 ZINC000457683811 331231146 /nfs/dbraw/zinc/23/11/46/331231146.db2.gz YRJJFHOWYAJGMD-CYBMUJFWSA-N 0 3 289.423 2.402 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)NCC(C)(C)CC#N ZINC000457708420 331231940 /nfs/dbraw/zinc/23/19/40/331231940.db2.gz LEIHTHGZMGXNPS-CYBMUJFWSA-N 0 3 280.416 2.100 20 30 CEEDHN CC#CCN(C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000457925209 331237706 /nfs/dbraw/zinc/23/77/06/331237706.db2.gz JUSAGJTZDZFKGK-DOTOQJQBSA-N 0 3 299.418 2.487 20 30 CEEDHN CN(C)CCN(Cc1ccsc1)C(=O)NCCCC#N ZINC000458635149 331254925 /nfs/dbraw/zinc/25/49/25/331254925.db2.gz ARJBBQRYHXZITJ-UHFFFAOYSA-N 0 3 294.424 2.125 20 30 CEEDHN C=CCCCCNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458652842 331255852 /nfs/dbraw/zinc/25/58/52/331255852.db2.gz BSPMRACBLJGESP-MRXNPFEDSA-N 0 3 279.428 2.470 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1CCCN(C(C)C)CC1 ZINC000458983699 331263805 /nfs/dbraw/zinc/26/38/05/331263805.db2.gz FCEOZOUJCDRFFG-UHFFFAOYSA-N 0 3 267.417 2.324 20 30 CEEDHN C=C(CC)CNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000459077833 331269420 /nfs/dbraw/zinc/26/94/20/331269420.db2.gz BVCSOGRTZSSRMW-ZDUSSCGKSA-N 0 3 265.401 2.078 20 30 CEEDHN CN(C)CCN(C(=O)NCC(C)(C)CC#N)C1CCCC1 ZINC000459262374 331273829 /nfs/dbraw/zinc/27/38/29/331273829.db2.gz UYNURVSIWHQEKI-UHFFFAOYSA-N 0 3 294.443 2.442 20 30 CEEDHN CC(C)(CC#N)CNCc1cccc(S(C)(=O)=O)c1 ZINC000459684240 331294320 /nfs/dbraw/zinc/29/43/20/331294320.db2.gz BVZNKVVHHKZRNZ-UHFFFAOYSA-N 0 3 280.393 2.120 20 30 CEEDHN C=CCCCS(=O)(=O)NCCCN1CCCC[C@H]1C ZINC000489015689 332037694 /nfs/dbraw/zinc/03/76/94/332037694.db2.gz STMGLACWJVHQBG-CQSZACIVSA-N 0 3 288.457 2.137 20 30 CEEDHN C#CCNC(=O)CCN1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000491118252 332151372 /nfs/dbraw/zinc/15/13/72/332151372.db2.gz BOJHPCSOUSQCPY-QWHCGFSZSA-N 0 3 288.366 2.273 20 30 CEEDHN C#CCNC(=O)CCN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000491118254 332151511 /nfs/dbraw/zinc/15/15/11/332151511.db2.gz BOJHPCSOUSQCPY-STQMWFEESA-N 0 3 288.366 2.273 20 30 CEEDHN C#CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000491193407 332163681 /nfs/dbraw/zinc/16/36/81/332163681.db2.gz YXQWOSXMGOEWFO-RDJZCZTQSA-N 0 3 299.418 2.314 20 30 CEEDHN C#CCNC(=O)CCNCc1ccc(C(F)(F)F)cc1C ZINC000491288913 332182331 /nfs/dbraw/zinc/18/23/31/332182331.db2.gz VUBCCGDMXSBXPQ-UHFFFAOYSA-N 0 3 298.308 2.243 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCC[C@@H]2CC)CC1 ZINC000491296926 332184237 /nfs/dbraw/zinc/18/42/37/332184237.db2.gz NZYXSVPIXJCPPL-HOCLYGCPSA-N 0 3 276.424 2.274 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000491373057 332199201 /nfs/dbraw/zinc/19/92/01/332199201.db2.gz LTRYBNQKZHQFMK-RDJZCZTQSA-N 0 3 299.418 2.344 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000491373055 332199217 /nfs/dbraw/zinc/19/92/17/332199217.db2.gz LTRYBNQKZHQFMK-DOTOQJQBSA-N 0 3 299.418 2.344 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](C)C2CCCC2)CC1 ZINC000172099750 335094630 /nfs/dbraw/zinc/09/46/30/335094630.db2.gz SYAFUJWDTCEOFT-ZDUSSCGKSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000491474502 332218120 /nfs/dbraw/zinc/21/81/20/332218120.db2.gz NISDMPNQZOPNCK-FICVDOATSA-N 0 3 264.413 2.130 20 30 CEEDHN C#C[C@H](NC[C@H](O)Cc1cccc(Cl)c1)C(C)C ZINC000491486460 332220993 /nfs/dbraw/zinc/22/09/93/332220993.db2.gz WIMVVUCQUXKKEC-CABCVRRESA-N 0 3 265.784 2.491 20 30 CEEDHN C#C[C@H](C)N(C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000491516047 332227694 /nfs/dbraw/zinc/22/76/94/332227694.db2.gz QRHGCEZQWRWDEM-AAEUAGOBSA-N 0 3 267.756 2.033 20 30 CEEDHN C#C[C@H](CCC)NC(=O)NC1CCN(CC(=C)C)CC1 ZINC000491525650 332230193 /nfs/dbraw/zinc/23/01/93/332230193.db2.gz UEIQSPQCDUBNLN-CQSZACIVSA-N 0 3 277.412 2.128 20 30 CEEDHN C#CCN[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC000491542947 332233586 /nfs/dbraw/zinc/23/35/86/332233586.db2.gz DLQRRTHZQFZAPR-LLVKDONJSA-N 0 3 254.374 2.149 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC000491554223 332236527 /nfs/dbraw/zinc/23/65/27/332236527.db2.gz HGCYBMGHIAAVED-WBVHZDCISA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCNC(=O)CCN[C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000491555370 332237406 /nfs/dbraw/zinc/23/74/06/332237406.db2.gz QUPWTLNEWJDCLU-AWEZNQCLSA-N 0 3 288.391 2.331 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CC12CCCCC2 ZINC000491666759 332275184 /nfs/dbraw/zinc/27/51/84/332275184.db2.gz QQMHWKJOEXQSGL-AWEZNQCLSA-N 0 3 262.397 2.028 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1cc(C)cc(C)c1 ZINC000491671280 332278234 /nfs/dbraw/zinc/27/82/34/332278234.db2.gz FPULFBHQCDKHEK-UHFFFAOYSA-N 0 3 273.380 2.380 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)OC1CCCCCC1 ZINC000491710908 332302454 /nfs/dbraw/zinc/30/24/54/332302454.db2.gz UCTMKOVCGOIATO-OAHLLOKOSA-N 0 3 294.439 2.186 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc(C)c(O)cc2C)CC1 ZINC000491803480 332357381 /nfs/dbraw/zinc/35/73/81/332357381.db2.gz JNLJFEQQCZXZIV-UHFFFAOYSA-N 0 3 286.375 2.293 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000491805630 332359085 /nfs/dbraw/zinc/35/90/85/332359085.db2.gz OUVSSJODYMNMMA-BZUAXINKSA-N 0 3 291.439 2.304 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000491820050 332369897 /nfs/dbraw/zinc/36/98/97/332369897.db2.gz WPJHZDUYZPSSJS-UHFFFAOYSA-N 0 3 281.359 2.036 20 30 CEEDHN CCc1ccc([C@@H](C#N)NC(=O)/C=C\CN(C)C)cc1 ZINC000493634158 332448047 /nfs/dbraw/zinc/44/80/47/332448047.db2.gz RVMIKHCJIXDKJX-IYKSTZQJSA-N 0 3 271.364 2.048 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000516763786 333081995 /nfs/dbraw/zinc/08/19/95/333081995.db2.gz DLOZJXPMWUJYHM-QGZVFWFLSA-N 0 3 299.418 2.494 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000517154222 333093502 /nfs/dbraw/zinc/09/35/02/333093502.db2.gz LRYZIOLBXFKZJM-ZYHUDNBSSA-N 0 3 260.341 2.429 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(-c2cccnc2)n[nH]1 ZINC000576073437 335149398 /nfs/dbraw/zinc/14/93/98/335149398.db2.gz GIPWKDGKDZKPDZ-ZBFHGGJFSA-N 0 3 284.363 2.295 20 30 CEEDHN CC(C)N(CCC#N)C(=O)CCN(C)c1ccncc1 ZINC000540927444 333754217 /nfs/dbraw/zinc/75/42/17/333754217.db2.gz SKCNAAOKRQNXEB-UHFFFAOYSA-N 0 3 274.368 2.059 20 30 CEEDHN N#CCC1CCN(C[C@@H](O)COc2ccccc2F)CC1 ZINC000543809062 333901365 /nfs/dbraw/zinc/90/13/65/333901365.db2.gz GLBZIVXYTJOIJA-CQSZACIVSA-N 0 3 292.354 2.191 20 30 CEEDHN N#CC(C(=O)c1ccnn1C1CCCC1)c1ccncn1 ZINC000546859585 334052057 /nfs/dbraw/zinc/05/20/57/334052057.db2.gz MCVWYBMQTIVEOG-LBPRGKRZSA-N 0 3 281.319 2.278 20 30 CEEDHN C=CCOCCCN1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000548752140 334169482 /nfs/dbraw/zinc/16/94/82/334169482.db2.gz MGGZBYBAWMSZFW-OAHLLOKOSA-N 0 3 294.395 2.475 20 30 CEEDHN CC(C)C[C@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000245498673 334197978 /nfs/dbraw/zinc/19/79/78/334197978.db2.gz WQWRRAWSNMAFSF-CZUORRHYSA-N 0 3 277.412 2.163 20 30 CEEDHN N#CC1CCC(CN[C@@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000550934004 334234227 /nfs/dbraw/zinc/23/42/27/334234227.db2.gz QNCMMGYKPSWFDI-SSDMNJCBSA-N 0 3 296.378 2.209 20 30 CEEDHN CC[C@H]1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000246175212 334238656 /nfs/dbraw/zinc/23/86/56/334238656.db2.gz GEWOASJFBFZDTD-KGLIPLIRSA-N 0 3 277.412 2.449 20 30 CEEDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C1(C#N)CCCCC1 ZINC000247547594 334285149 /nfs/dbraw/zinc/28/51/49/334285149.db2.gz ZAEMCNMIRXGDMI-KBPBESRZSA-N 0 3 275.396 2.156 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@](CC)(CO)C1 ZINC000249588052 334337361 /nfs/dbraw/zinc/33/73/61/334337361.db2.gz UNOZYRSTEZERRL-NVXWUHKLSA-N 0 3 294.439 2.060 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC[C@H]2CCC[C@H]21 ZINC000252480405 334381298 /nfs/dbraw/zinc/38/12/98/334381298.db2.gz AIWGCWQESVGHNE-ZIAGYGMSSA-N 0 3 263.385 2.013 20 30 CEEDHN C=C(CC)CNCc1ccc(-n2cncn2)c(F)c1 ZINC000565873548 334604957 /nfs/dbraw/zinc/60/49/57/334604957.db2.gz PAEDXWYCKYVIAU-UHFFFAOYSA-N 0 3 260.316 2.462 20 30 CEEDHN C=CCCCCCNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000568245253 334807961 /nfs/dbraw/zinc/80/79/61/334807961.db2.gz HDRXRCUTZDGGEW-QWHCGFSZSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCn1cc(CN[C@H](C)CCc2ccco2)nn1 ZINC000568500205 334827211 /nfs/dbraw/zinc/82/72/11/334827211.db2.gz REYOZRQUAZPTOB-GFCCVEGCSA-N 0 3 260.341 2.168 20 30 CEEDHN CCC[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ccccc1 ZINC000573070068 334905513 /nfs/dbraw/zinc/90/55/13/334905513.db2.gz MTSSVDLSBWCTMX-IAGOWNOFSA-N 0 3 289.423 2.324 20 30 CEEDHN N#CCc1ccc(CN2CCN(CC3CC3)CC2)cc1 ZINC000342693108 335185676 /nfs/dbraw/zinc/18/56/76/335185676.db2.gz LXGIAXZMDNKMMA-UHFFFAOYSA-N 0 3 269.392 2.280 20 30 CEEDHN C=C(C)COCCNCc1ccc2c(c1)sc(=O)n2C ZINC000192624959 335283034 /nfs/dbraw/zinc/28/30/34/335283034.db2.gz NIFXUSVSONJCTA-UHFFFAOYSA-N 0 3 292.404 2.282 20 30 CEEDHN C=C(C)CCNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000577475910 335356207 /nfs/dbraw/zinc/35/62/07/335356207.db2.gz GATDNOPFGPKTGN-UHFFFAOYSA-N 0 3 267.417 2.468 20 30 CEEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194362887 336018354 /nfs/dbraw/zinc/01/83/54/336018354.db2.gz LZNCTDOVAXKKEC-CYBMUJFWSA-N 0 3 294.351 2.233 20 30 CEEDHN C[C@H]1CC[C@H](NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330176174 533731345 /nfs/dbraw/zinc/73/13/45/533731345.db2.gz CBACMAAGFPTIGS-JHJVBQTASA-N 0 3 276.384 2.280 20 30 CEEDHN C[C@@H]1CCNC(=O)[C@H]1NC(=O)CC1CCN(C)CC1 ZINC000330199715 534064449 /nfs/dbraw/zinc/06/44/49/534064449.db2.gz VUDUOZNYJWSRFT-MFKMUULPSA-N 0 3 267.373 2.040 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC000334150866 534285803 /nfs/dbraw/zinc/28/58/03/534285803.db2.gz NYNCRZVFMLXWTI-XCBNKYQSSA-N 0 3 250.685 2.049 20 30 CEEDHN Cc1noc([C@@H]2CCN(Cc3ccc(CC#N)cc3)C2)n1 ZINC000332132049 534459313 /nfs/dbraw/zinc/45/93/13/534459313.db2.gz FBYBJUURRPIPKZ-OAHLLOKOSA-N 0 3 282.347 2.434 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(F)c(C#N)c2)CCN1C ZINC000278734679 524788072 /nfs/dbraw/zinc/78/80/72/524788072.db2.gz DHVSVCMFSKCGLW-FZMZJTMJSA-N 0 3 289.354 2.252 20 30 CEEDHN C=C(C)CCNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000334789552 526452054 /nfs/dbraw/zinc/45/20/54/526452054.db2.gz VGHKIKUJQOFHFR-KBPBESRZSA-N 0 3 265.401 2.078 20 30 CEEDHN N#Cc1cc2c(nc1NCCN1CCCC1)CCCC2 ZINC000049957101 526580222 /nfs/dbraw/zinc/58/02/22/526580222.db2.gz HFDDLHZXILDGKB-UHFFFAOYSA-N 0 3 270.380 2.340 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CC[C@H]2C)CC1 ZINC000344742685 526596120 /nfs/dbraw/zinc/59/61/20/526596120.db2.gz QSBBTCMITAJNGQ-OCCSQVGLSA-N 0 3 265.401 2.125 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000347718503 526695233 /nfs/dbraw/zinc/69/52/33/526695233.db2.gz KVXGBINCYBLSTP-CABCVRRESA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCOCCCN1CCN(c2ccccc2)CC1 ZINC000347975881 526756785 /nfs/dbraw/zinc/75/67/85/526756785.db2.gz WYAOGJMJKGTQIZ-UHFFFAOYSA-N 0 3 260.381 2.401 20 30 CEEDHN C=C(CNC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000353443592 526873177 /nfs/dbraw/zinc/87/31/77/526873177.db2.gz HBHXFSYPPYGUTL-OAHLLOKOSA-N 0 3 285.391 2.236 20 30 CEEDHN C=CCCCCCN(C)C(=O)[C@H](N)CCSC ZINC000353701641 527126314 /nfs/dbraw/zinc/12/63/14/527126314.db2.gz JFBFNSMKYKINCA-GFCCVEGCSA-N 0 3 258.431 2.272 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000349745445 527210591 /nfs/dbraw/zinc/21/05/91/527210591.db2.gz AJQWEVKXXUGUBB-WDEREUQCSA-N 0 3 283.343 2.431 20 30 CEEDHN C=CCn1c(C2CC2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000350752132 527305695 /nfs/dbraw/zinc/30/56/95/527305695.db2.gz LECYZPIOEXLIFV-CQSZACIVSA-N 0 3 287.411 2.014 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000344645131 527387789 /nfs/dbraw/zinc/38/77/89/527387789.db2.gz XFQWDRJEDRWJCK-UONOGXRCSA-N 0 3 282.428 2.156 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000344645132 527389049 /nfs/dbraw/zinc/38/90/49/527389049.db2.gz XFQWDRJEDRWJCK-ZIAGYGMSSA-N 0 3 282.428 2.156 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000346426181 527397759 /nfs/dbraw/zinc/39/77/59/527397759.db2.gz YGSIBYYJSCBUIG-HUUCEWRRSA-N 0 3 282.428 2.204 20 30 CEEDHN CC(C)[C@@](C)(O)CNCc1ccc(C#N)c(F)c1 ZINC000404246518 528878655 /nfs/dbraw/zinc/87/86/55/528878655.db2.gz GZHJHURYWYBMRU-AWEZNQCLSA-N 0 3 250.317 2.194 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)c1csc(=O)[nH]1 ZINC000329971456 529007738 /nfs/dbraw/zinc/00/77/38/529007738.db2.gz YLBNEVOOGWMWAG-VIFPVBQESA-N 0 3 269.370 2.028 20 30 CEEDHN CC[C@H]1CCCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000347034979 529216901 /nfs/dbraw/zinc/21/69/01/529216901.db2.gz PNOSQDDQKDCFCB-ZDUSSCGKSA-N 0 3 263.385 2.061 20 30 CEEDHN CN(C)CCOC1CCN(c2ccc(C#N)cc2)CC1 ZINC000351827390 535892965 /nfs/dbraw/zinc/89/29/65/535892965.db2.gz NBYAJFOCMGYZFN-UHFFFAOYSA-N 0 3 273.380 2.105 20 30 CEEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)Cn2ccnc2)cc1 ZINC000728711882 574468738 /nfs/dbraw/zinc/46/87/38/574468738.db2.gz PYROOZHJXIWWHE-KBPBESRZSA-N 0 3 284.363 2.352 20 30 CEEDHN C#Cc1ccc(C(=O)Nc2ccc(CN(C)C)cc2)cn1 ZINC000728859010 574472505 /nfs/dbraw/zinc/47/25/05/574472505.db2.gz IJQPCNLRMLLUDJ-UHFFFAOYSA-N 0 3 279.343 2.377 20 30 CEEDHN N#CCCNC(=O)CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000729473996 574488657 /nfs/dbraw/zinc/48/86/57/574488657.db2.gz AYAZTPJIWHXQLR-MRXNPFEDSA-N 0 3 289.354 2.286 20 30 CEEDHN C=CCNC(=S)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000731490916 574597009 /nfs/dbraw/zinc/59/70/09/574597009.db2.gz ZXIOGNNRXKJBAK-CYBMUJFWSA-N 0 3 275.421 2.040 20 30 CEEDHN C=CCN(C(C)C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732197044 574615236 /nfs/dbraw/zinc/61/52/36/574615236.db2.gz BGEPFVSSEKSZKX-SNVBAGLBSA-N 0 3 264.291 2.046 20 30 CEEDHN CCCCCCCN1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000740874795 574970666 /nfs/dbraw/zinc/97/06/66/574970666.db2.gz JEKKCLQPDMKWIQ-CQSZACIVSA-N 0 3 290.473 2.218 20 30 CEEDHN CCCCCCCCN1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000740877754 574970715 /nfs/dbraw/zinc/97/07/15/574970715.db2.gz DYCSQULPUYQGHJ-CQSZACIVSA-N 0 3 290.473 2.361 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000740942877 574971686 /nfs/dbraw/zinc/97/16/86/574971686.db2.gz BTJXVEKIACHLAI-GMSGAONNSA-N 0 3 287.146 2.303 20 30 CEEDHN C[C@H](C#N)OC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000741327661 574982411 /nfs/dbraw/zinc/98/24/11/574982411.db2.gz OUQFGNDRPLVHNF-HIFRSBDPSA-N 0 3 272.348 2.354 20 30 CEEDHN C#CCCCNCc1nccn1Cc1ccccc1 ZINC000742385058 575019128 /nfs/dbraw/zinc/01/91/28/575019128.db2.gz HGWBJDXWENYCIO-UHFFFAOYSA-N 0 3 253.349 2.434 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC000742642222 575027884 /nfs/dbraw/zinc/02/78/84/575027884.db2.gz HAXORCYYSYELST-CYBMUJFWSA-N 0 3 276.380 2.458 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2cccc3cc[nH]c32)CC1 ZINC000743489380 575105107 /nfs/dbraw/zinc/10/51/07/575105107.db2.gz TYFSWVDIXCLGAH-UHFFFAOYSA-N 0 3 295.386 2.385 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000743492312 575105327 /nfs/dbraw/zinc/10/53/27/575105327.db2.gz TXUKEAHEJGSQHL-UHFFFAOYSA-N 0 3 295.386 2.385 20 30 CEEDHN C#CCCN1CCC(NC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC000743493096 575105470 /nfs/dbraw/zinc/10/54/70/575105470.db2.gz HISRWGMMEBANAJ-CYBMUJFWSA-N 0 3 264.413 2.273 20 30 CEEDHN COc1ccc(NC(=O)C(C#N)C(=O)C=CC2CC2)cc1 ZINC000744032989 575112521 /nfs/dbraw/zinc/11/25/21/575112521.db2.gz KYHMSPVROHCAFC-CEOUIICOSA-N 0 3 284.315 2.309 20 30 CEEDHN C#Cc1cccc(NC(=S)NCCN2CC[C@H](C)C2)c1 ZINC000745180439 575134789 /nfs/dbraw/zinc/13/47/89/575134789.db2.gz BNJMVVDQRQRDFU-ZDUSSCGKSA-N 0 3 287.432 2.296 20 30 CEEDHN CC(=NNC(=N)N)c1cc(Cl)ccc1OC(F)F ZINC000748075455 575178093 /nfs/dbraw/zinc/17/80/93/575178093.db2.gz TUCDCLXEDXGYFV-UHFFFAOYSA-N 0 3 276.674 2.148 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)NCCN1CCC[C@@H]1C ZINC000749149940 575207090 /nfs/dbraw/zinc/20/70/90/575207090.db2.gz FDJYMJLVFBWYMP-ZDUSSCGKSA-N 0 3 271.364 2.081 20 30 CEEDHN COCCON=C(C)c1cccc(OCCN(C)C)c1 ZINC000748790549 575196657 /nfs/dbraw/zinc/19/66/57/575196657.db2.gz KGOWMQGUNYWBPG-UHFFFAOYSA-N 0 3 280.368 2.014 20 30 CEEDHN C#CCCN1CCC(NC(=O)[C@H](C)C2CCCC2)CC1 ZINC000749396426 575217987 /nfs/dbraw/zinc/21/79/87/575217987.db2.gz IEMBGNILRPUEPP-CQSZACIVSA-N 0 3 276.424 2.417 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)/C=C\SC)CC1 ZINC000751578977 575292615 /nfs/dbraw/zinc/29/26/15/575292615.db2.gz LYXDCFDENHSRJN-TWGQIWQCSA-N 0 3 254.399 2.020 20 30 CEEDHN CN1CCc2cc(C=NNCCN3CCCCC3)ccc21 ZINC000752726925 575313867 /nfs/dbraw/zinc/31/38/67/575313867.db2.gz MGISZRDOSYLACK-UHFFFAOYSA-N 0 3 286.423 2.088 20 30 CEEDHN CCN1CCC(=Nn2cc(Br)cn2)[C@H](C)C1 ZINC000752745596 575314242 /nfs/dbraw/zinc/31/42/42/575314242.db2.gz DRSKMIYXGWKUCA-SECBINFHSA-N 0 3 285.189 2.211 20 30 CEEDHN C#CCCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000823840727 608355491 /nfs/dbraw/zinc/35/54/91/608355491.db2.gz CMVLFDOGIUAIEB-UHFFFAOYSA-N 0 3 283.379 2.491 20 30 CEEDHN C#CCCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000823840727 608355492 /nfs/dbraw/zinc/35/54/92/608355492.db2.gz CMVLFDOGIUAIEB-UHFFFAOYSA-N 0 3 283.379 2.491 20 30 CEEDHN C#CCCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000823840727 608355494 /nfs/dbraw/zinc/35/54/94/608355494.db2.gz CMVLFDOGIUAIEB-UHFFFAOYSA-N 0 3 283.379 2.491 20 30 CEEDHN C#CCCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000823840727 608355496 /nfs/dbraw/zinc/35/54/96/608355496.db2.gz CMVLFDOGIUAIEB-UHFFFAOYSA-N 0 3 283.379 2.491 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)s2)C1 ZINC000970437102 612963446 /nfs/dbraw/zinc/96/34/46/612963446.db2.gz IJOONJYFTIONJB-GHMZBOCLSA-N 0 3 296.823 2.329 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](CC)Cc2ccccc2C)C1 ZINC000970483201 612963492 /nfs/dbraw/zinc/96/34/92/612963492.db2.gz HYSOYRSTBFAUBF-SJLPKXTDSA-N 0 3 298.430 2.387 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccccc2C2CCC2)C1 ZINC000970595446 612966334 /nfs/dbraw/zinc/96/63/34/612966334.db2.gz BDYCAGLEDTUWLW-OAHLLOKOSA-N 0 3 282.387 2.391 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2csc3c2CCCC3)C1 ZINC000970661514 612967974 /nfs/dbraw/zinc/96/79/74/612967974.db2.gz HDPNEIZXKHPOQJ-GFCCVEGCSA-N 0 3 288.416 2.064 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2sc(C(C)C)nc2C)C1 ZINC000970709473 612968075 /nfs/dbraw/zinc/96/80/75/612968075.db2.gz MRUFTRHZOQUTFU-GFCCVEGCSA-N 0 3 291.420 2.012 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc(C)ccc2C)C1 ZINC000970800613 612994937 /nfs/dbraw/zinc/99/49/37/612994937.db2.gz KUVMSOYBWHSNJM-OAHLLOKOSA-N 0 3 284.403 2.377 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC000970385045 612997184 /nfs/dbraw/zinc/99/71/84/612997184.db2.gz SXQDUIIZNONRMJ-QRTARXTBSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc[nH]c2C(C)C)C1 ZINC000970314298 612997429 /nfs/dbraw/zinc/99/74/29/612997429.db2.gz XHQYNSPXAWSGSR-ZDUSSCGKSA-N 0 3 287.407 2.212 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC000964938700 613023025 /nfs/dbraw/zinc/02/30/25/613023025.db2.gz UCQAUQRZRLNKSJ-LRDDRELGSA-N 0 3 288.391 2.360 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccoc2CC)C1 ZINC000965974228 613023360 /nfs/dbraw/zinc/02/33/60/613023360.db2.gz JOLKQUPSPCAXRN-ZFWWWQNUSA-N 0 3 288.391 2.306 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cc[nH]c2C2CC2)C(C)(C)C1 ZINC000974978947 613032272 /nfs/dbraw/zinc/03/22/72/613032272.db2.gz BVXFQCGPFCSOSC-OAHLLOKOSA-N 0 3 299.418 2.356 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)c(C)cn2)C(C)(C)C1 ZINC000974850549 613032557 /nfs/dbraw/zinc/03/25/57/613032557.db2.gz ATDPVHUPLAOFES-MRXNPFEDSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C(C)(C)C1 ZINC000975015342 613037901 /nfs/dbraw/zinc/03/79/01/613037901.db2.gz MNHQATYPJXDCKF-RVKKMQEKSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2ccccc2F)C(C)(C)C1 ZINC000972758473 613038374 /nfs/dbraw/zinc/03/83/74/613038374.db2.gz REBCYDUOHXTCFX-HNNXBMFYSA-N 0 3 288.366 2.289 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C)cc2)C(C)(C)C1 ZINC000977537085 613038411 /nfs/dbraw/zinc/03/84/11/613038411.db2.gz YJAVURMAUIBSSR-INIZCTEOSA-N 0 3 284.403 2.459 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2ccoc2CC)C(C)(C)C1 ZINC000974528561 613039071 /nfs/dbraw/zinc/03/90/71/613039071.db2.gz DMIGFBBLLOPDRI-HNNXBMFYSA-N 0 3 288.391 2.306 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@@H](C)C2CCC2)CC1 ZINC000948541146 613178504 /nfs/dbraw/zinc/17/85/04/613178504.db2.gz CONGBKFYVBJNIB-HOCLYGCPSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cc[nH]c2C2CC2)CC1 ZINC000948726513 613179018 /nfs/dbraw/zinc/17/90/18/613179018.db2.gz SXYNPDZKXGBTNA-HNNXBMFYSA-N 0 3 299.418 2.452 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)C2CCC2)[C@H](C)C1 ZINC000942536153 613221930 /nfs/dbraw/zinc/22/19/30/613221930.db2.gz UTKOIMATUVIIKG-UKRRQHHQSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)C2CCC2)C[C@@H]1C ZINC000947581120 613222015 /nfs/dbraw/zinc/22/20/15/613222015.db2.gz OJTQDGRLWUNVFU-DZGCQCFKSA-N 0 3 276.424 2.415 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)C2CC2)C[C@H]1C ZINC000947633146 613222184 /nfs/dbraw/zinc/22/21/84/613222184.db2.gz IDCWIFONBQEITR-TZMCWYRMSA-N 0 3 262.397 2.025 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C2=CCCCCC2)[C@H](C)C1 ZINC000941992472 613223694 /nfs/dbraw/zinc/22/36/94/613223694.db2.gz LRRRZLCUKWHLJZ-GDBMZVCRSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C2CCC(=C)CC2)[C@@H](C)C1 ZINC000942600539 613223875 /nfs/dbraw/zinc/22/38/75/613223875.db2.gz RCLMTIZUIVJNIU-GOEBONIOSA-N 0 3 274.408 2.193 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)CC2=CCCCC2)[C@H](C)C1 ZINC000941896429 613224942 /nfs/dbraw/zinc/22/49/42/613224942.db2.gz UECDINWFGOBETK-GDBMZVCRSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2c[nH]c3ccccc23)[C@@H](C)C1 ZINC000942312702 613231527 /nfs/dbraw/zinc/23/15/27/613231527.db2.gz BYGNNLPWSCILTG-XJKSGUPXSA-N 0 3 295.386 2.241 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)sc2C)[C@H](C)C1 ZINC000942341750 613232753 /nfs/dbraw/zinc/23/27/53/613232753.db2.gz BOZNMSYCTYEFHA-IAQYHMDHSA-N 0 3 290.432 2.438 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@H](C)C1 ZINC000944809630 613233871 /nfs/dbraw/zinc/23/38/71/613233871.db2.gz FKISDZPMDGYYFV-UKRRQHHQSA-N 0 3 295.386 2.241 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc[nH]c2C2CCC2)C[C@@H]1C ZINC000947725723 613234212 /nfs/dbraw/zinc/23/42/12/613234212.db2.gz CCBIYGGXRYPUEV-DZGCQCFKSA-N 0 3 299.418 2.498 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)nc2)[C@H](C)C1 ZINC000942121392 613235025 /nfs/dbraw/zinc/23/50/25/613235025.db2.gz CWQQWTOGRJQRTC-RHSMWYFYSA-N 0 3 299.418 2.278 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C)c(F)c2)C[C@@H]1C ZINC000947518972 613235144 /nfs/dbraw/zinc/23/51/44/613235144.db2.gz BFTWVXNPZORYIG-DZGCQCFKSA-N 0 3 288.366 2.350 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)nc2)[C@@H](C)C1 ZINC000942121393 613235240 /nfs/dbraw/zinc/23/52/40/613235240.db2.gz CWQQWTOGRJQRTC-WMLDXEAASA-N 0 3 299.418 2.278 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(F)c2C)[C@@H](C)C1 ZINC000942063092 613237264 /nfs/dbraw/zinc/23/72/64/613237264.db2.gz CFVIZQHTVFMNJN-BLLLJJGKSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2CC)C[C@@H]1C ZINC000947666324 613237974 /nfs/dbraw/zinc/23/79/74/613237974.db2.gz DPJOJKQBLHKLGF-GOEBONIOSA-N 0 3 284.403 2.465 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CCCN(C[C@H](C)OC)CC1 ZINC000981740780 613240864 /nfs/dbraw/zinc/24/08/64/613240864.db2.gz CBCJMOQCAAZCSM-AWEZNQCLSA-N 0 3 282.428 2.158 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cscc2C)[C@@H](C)C1 ZINC000941929989 613243438 /nfs/dbraw/zinc/24/34/38/613243438.db2.gz PSHHSWDIDUZYLD-SMDDNHRTSA-N 0 3 276.405 2.130 20 30 CEEDHN C=C(C)CCN1CCCN(C(=O)c2ccco2)CC1 ZINC000980636281 613254929 /nfs/dbraw/zinc/25/49/29/613254929.db2.gz UJCXYJJRMOEWIG-UHFFFAOYSA-N 0 3 262.353 2.394 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C[C@H]1C ZINC000947946548 613262921 /nfs/dbraw/zinc/26/29/21/613262921.db2.gz BHQGRYNHNKGFBL-FPCVCCKLSA-N 0 3 276.424 2.415 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cc[nH]c2C2CC2)C[C@@H]1C ZINC000947663433 613267941 /nfs/dbraw/zinc/26/79/41/613267941.db2.gz VOPFCBFORUHBPR-JSGCOSHPSA-N 0 3 285.391 2.108 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C)cc2F)[C@@H](C)C1 ZINC000942978020 613268300 /nfs/dbraw/zinc/26/83/00/613268300.db2.gz MXQGUCAEDKIUPB-BBRMVZONSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(F)c(C)c2)C[C@H]1C ZINC000947658531 613269364 /nfs/dbraw/zinc/26/93/64/613269364.db2.gz MCBKZKWLMKMXFX-HIFRSBDPSA-N 0 3 288.366 2.350 20 30 CEEDHN C#CCN1C[C@]2(C)CN(C(=O)C(C)(C)C(=C)C)C[C@]2(C)C1 ZINC000982422643 613292487 /nfs/dbraw/zinc/29/24/87/613292487.db2.gz WIPYSBGTERECLW-HDICACEKSA-N 0 3 288.435 2.392 20 30 CEEDHN C#CCN1C[C@]2(C)CN(C(=O)C3(C)CC(=C)C3)C[C@]2(C)C1 ZINC000982534797 613292823 /nfs/dbraw/zinc/29/28/23/613292823.db2.gz 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C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001026150509 628053650 /nfs/dbraw/zinc/05/36/50/628053650.db2.gz STGCYIQLHDSFOB-RHMLRGBNSA-N 0 3 276.424 2.291 20 30 CEEDHN C=CC[C@H](CO)C[NH2+]Cc1cc([O-])cc(Cl)c1 ZINC000893285783 628244660 /nfs/dbraw/zinc/24/46/60/628244660.db2.gz ZWXMIOPTJWEVGK-JTQLQIEISA-N 0 3 255.745 2.320 20 30 CEEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2ocnc2CC)C1 ZINC001008473659 628352899 /nfs/dbraw/zinc/35/28/99/628352899.db2.gz KIAJDGSFJBHDJC-ZDUSSCGKSA-N 0 3 291.395 2.397 20 30 CEEDHN C[C@H]1C[C@@H](CNCc2ccccc2C#N)CN1C(=O)C1CC1 ZINC000980271282 628770754 /nfs/dbraw/zinc/77/07/54/628770754.db2.gz ACTROVLJQSAFKX-KBPBESRZSA-N 0 3 297.402 2.295 20 30 CEEDHN C[C@H](C[C@@H]1COCCN1)Nc1ccc(CCC#N)cc1 ZINC000925822637 628889109 /nfs/dbraw/zinc/88/91/09/628889109.db2.gz NPAPFNSWJPPWDP-CZUORRHYSA-N 0 3 273.380 2.322 20 30 CEEDHN C[C@]1(Br)C[C@@H]1CNCc1ccc(C#N)cn1 ZINC000893868834 629022109 /nfs/dbraw/zinc/02/21/09/629022109.db2.gz OMRPUBSOBVCWFM-PWSUYJOCSA-N 0 3 280.169 2.216 20 30 CEEDHN C#C[C@H](NCc1cnc(CCOC)s1)C(C)C ZINC000877513274 629174928 /nfs/dbraw/zinc/17/49/28/629174928.db2.gz PWNUCAPARSXUGB-LBPRGKRZSA-N 0 3 252.383 2.079 20 30 CEEDHN C#CC(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000924890290 629187351 /nfs/dbraw/zinc/18/73/51/629187351.db2.gz KLGYMXBQPUCSKF-UHFFFAOYSA-N 0 3 270.254 2.339 20 30 CEEDHN C#C[C@H](NC[C@H]1CCCC(C)(C)O1)[C@@H]1CCCO1 ZINC000878454235 629228564 /nfs/dbraw/zinc/22/85/64/629228564.db2.gz VXOOUQGBUJZRFU-RDBSUJKOSA-N 0 3 251.370 2.105 20 30 CEEDHN C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNCc2ccccc2C#N)C1 ZINC000983065995 629276516 /nfs/dbraw/zinc/27/65/16/629276516.db2.gz OZZGOWPSSHOXPE-BQGCOEIASA-N 0 3 297.402 2.199 20 30 CEEDHN C#CC[C@H](NC[C@@H]1[C@H](C(=O)OC)C1(F)F)c1ccccc1 ZINC000894362277 629393579 /nfs/dbraw/zinc/39/35/79/629393579.db2.gz RJPJTCDLZPOSON-HZSPNIEDSA-N 0 3 293.313 2.395 20 30 CEEDHN C#C[C@@H](NCc1cccc(C(=O)N(C)C)c1)C(C)C ZINC000894387144 629419638 /nfs/dbraw/zinc/41/96/38/629419638.db2.gz 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/nfs/dbraw/zinc/18/95/48/630189548.db2.gz WVPHPAXPMXTOER-CYBMUJFWSA-N 0 3 286.331 2.051 20 30 CEEDHN FC(F)CN1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC000895575136 630255120 /nfs/dbraw/zinc/25/51/20/630255120.db2.gz YFRANKIFZXHGOI-OAHLLOKOSA-N 0 3 278.346 2.357 20 30 CEEDHN C#CC[C@H](CCOC)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000895672226 630300858 /nfs/dbraw/zinc/30/08/58/630300858.db2.gz PGRQJIKESGUBDL-GFCCVEGCSA-N 0 3 251.301 2.049 20 30 CEEDHN CC(=O)N[C@H](C)C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797568374 630335159 /nfs/dbraw/zinc/33/51/59/630335159.db2.gz HTYVKMLCIJCTKD-PSASIEDQSA-N 0 3 293.392 2.141 20 30 CEEDHN CC(=O)N(C)CC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797569889 630335334 /nfs/dbraw/zinc/33/53/34/630335334.db2.gz YZVHOAOFVIKRDF-SNVBAGLBSA-N 0 3 293.392 2.095 20 30 CEEDHN C#CCC1([NH2+]Cc2ccc(C)cc2[O-])CCOCC1 ZINC000895895379 630389008 /nfs/dbraw/zinc/38/90/08/630389008.db2.gz YBHAASYKHXCZMZ-UHFFFAOYSA-N 0 3 259.349 2.363 20 30 CEEDHN C#C[C@@H]1CCCCN1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000896010614 630436462 /nfs/dbraw/zinc/43/64/62/630436462.db2.gz GMLPORRNGCDBQN-ZBFHGGJFSA-N 0 3 289.423 2.201 20 30 CEEDHN C#C[C@H]1CCCCN1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000896010607 630436491 /nfs/dbraw/zinc/43/64/91/630436491.db2.gz GMLPORRNGCDBQN-GOEBONIOSA-N 0 3 289.423 2.201 20 30 CEEDHN C#C[C@@H]1CCCCN1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000896010604 630436535 /nfs/dbraw/zinc/43/65/35/630436535.db2.gz GMLPORRNGCDBQN-GDBMZVCRSA-N 0 3 289.423 2.201 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000896209321 630499699 /nfs/dbraw/zinc/49/96/99/630499699.db2.gz YDDHFPKSUPNJQV-HNNXBMFYSA-N 0 3 292.423 2.245 20 30 CEEDHN C[C@H](NCCc1nccs1)c1cc(C#N)ccn1 ZINC000902783045 634827002 /nfs/dbraw/zinc/82/70/02/634827002.db2.gz UUJWFVWDBINHSI-JTQLQIEISA-N 0 3 258.350 2.303 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c([O-])cccc1OC ZINC000797878547 630771545 /nfs/dbraw/zinc/77/15/45/630771545.db2.gz ZDDJPVWMSSPSOK-MLGOLLRUSA-N 0 3 277.364 2.472 20 30 CEEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2oc(C)nc2C)C1 ZINC001007012760 630776897 /nfs/dbraw/zinc/77/68/97/630776897.db2.gz VYEKOKNOMJJRBG-CQSZACIVSA-N 0 3 291.395 2.452 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000798287870 630852049 /nfs/dbraw/zinc/85/20/49/630852049.db2.gz MHOBLJKEGQBESR-MJBXVCDLSA-N 0 3 288.322 2.163 20 30 CEEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000800385392 631117223 /nfs/dbraw/zinc/11/72/23/631117223.db2.gz XSRHMKIEWQHCIE-NWDGAFQWSA-N 0 3 250.342 2.144 20 30 CEEDHN CCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC000985849419 631188903 /nfs/dbraw/zinc/18/89/03/631188903.db2.gz UQMWHTJBDZPPHT-GXFFZTMASA-N 0 3 277.393 2.109 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000801917561 631352768 /nfs/dbraw/zinc/35/27/68/631352768.db2.gz HLVTUJDDCFLJQO-JSGCOSHPSA-N 0 3 288.347 2.481 20 30 CEEDHN COc1ccccc1C(C)(C)NCCO[C@H](C)C#N ZINC000801932404 631359792 /nfs/dbraw/zinc/35/97/92/631359792.db2.gz LSOCOZSTPMFNFR-GFCCVEGCSA-N 0 3 262.353 2.449 20 30 CEEDHN C[C@H](C#N)OCCN1CCC[C@H](Nc2ccccc2)C1 ZINC000801933514 631360333 /nfs/dbraw/zinc/36/03/33/631360333.db2.gz BTIBQRSVDBIATI-ZBFHGGJFSA-N 0 3 273.380 2.492 20 30 CEEDHN C=CCN1CCN(CN(C)[C@H]2CCC[C@H](C)C2)C1=O ZINC000839962529 631422016 /nfs/dbraw/zinc/42/20/16/631422016.db2.gz YGQYZUIIFWSQRK-KBPBESRZSA-N 0 3 265.401 2.378 20 30 CEEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)s2)CN1C(=O)C1CC1 ZINC000987686580 631443253 /nfs/dbraw/zinc/44/32/53/631443253.db2.gz WQSDCBZWMXWCLD-ZYHUDNBSSA-N 0 3 289.404 2.109 20 30 CEEDHN CCCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC000987778603 631454937 /nfs/dbraw/zinc/45/49/37/631454937.db2.gz JRWFQXJWNQLYQI-NWDGAFQWSA-N 0 3 291.420 2.499 20 30 CEEDHN CC(C)C(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC000988136104 631484020 /nfs/dbraw/zinc/48/40/20/631484020.db2.gz SPPDAYLTKHGUSY-NWDGAFQWSA-N 0 3 291.420 2.355 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(F)c(C)cc2F)C1 ZINC000988988549 631714806 /nfs/dbraw/zinc/71/48/06/631714806.db2.gz DLCAKWDLTQTAPW-NEPJUHHUSA-N 0 3 292.329 2.099 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2cccc(CC)c2)C1 ZINC000989058763 631721230 /nfs/dbraw/zinc/72/12/30/631721230.db2.gz WYCAYCUDXVXDNK-YOEHRIQHSA-N 0 3 284.403 2.004 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)cc2F)C1 ZINC000989139595 631734915 /nfs/dbraw/zinc/73/49/15/631734915.db2.gz WOZMBJZPKNESAJ-ZYHUDNBSSA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2c(C)cc(C)cc2C)C1 ZINC000989395196 631808022 /nfs/dbraw/zinc/80/80/22/631808022.db2.gz BNGBMHZWLPQRIY-DLBZAZTESA-N 0 3 298.430 2.367 20 30 CEEDHN COC(=O)C[C@@H]1CC[C@H](NCc2nc(C#N)cs2)[C@@H]1C ZINC000897630119 631838002 /nfs/dbraw/zinc/83/80/02/631838002.db2.gz RDYTZUNMYFEMCO-SCVCMEIPSA-N 0 3 293.392 2.082 20 30 CEEDHN CC1(C)CCC[C@H](CNCc2cnc3c(C#N)cnn3c2)O1 ZINC000898050351 632012873 /nfs/dbraw/zinc/01/28/73/632012873.db2.gz SQJHMJZZDFUFRU-CQSZACIVSA-N 0 3 299.378 2.038 20 30 CEEDHN C=CCC[C@@H](CCC)[NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898156345 632074207 /nfs/dbraw/zinc/07/42/07/632074207.db2.gz DNKZYFVHDJADIV-ZIAGYGMSSA-N 0 3 290.411 2.485 20 30 CEEDHN C#C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000809685849 632127229 /nfs/dbraw/zinc/12/72/29/632127229.db2.gz VCDFFXOFZDCGLE-MRXNPFEDSA-N 0 3 290.382 2.410 20 30 CEEDHN Cc1cnccc1OC1CCN(CCO[C@H](C)C#N)CC1 ZINC000809995028 632166298 /nfs/dbraw/zinc/16/62/98/632166298.db2.gz JOVRWAAQTMRJMR-CQSZACIVSA-N 0 3 289.379 2.162 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C3CC3)nc2C)C1 ZINC000989465723 632177598 /nfs/dbraw/zinc/17/75/98/632177598.db2.gz MYYVAXFTKRTLIU-SWLSCSKDSA-N 0 3 297.402 2.093 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C)cc2Cl)C1 ZINC000989469870 632178760 /nfs/dbraw/zinc/17/87/60/632178760.db2.gz MXJVCLICAKBUQU-OLZOCXBDSA-N 0 3 290.794 2.474 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(F)cc(Cl)c2)C1 ZINC000989475602 632180436 /nfs/dbraw/zinc/18/04/36/632180436.db2.gz AVNJUSHOLWDPGE-HZMBPMFUSA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCCN1CCCN(C(=O)Cc2ccccc2C)CC1 ZINC000989633879 632215247 /nfs/dbraw/zinc/21/52/47/632215247.db2.gz DOGMGZYDZRPQFA-UHFFFAOYSA-N 0 3 284.403 2.095 20 30 CEEDHN N#CC(C(=O)CCCCC(N)=O)c1ccc2ccccc2n1 ZINC000810520767 632220906 /nfs/dbraw/zinc/22/09/06/632220906.db2.gz IWFIWIALHGKDNF-ZDUSSCGKSA-N 0 3 295.342 2.457 20 30 CEEDHN CNC(=O)C(C#N)C(=O)CCCc1ccccc1Cl ZINC000810534162 632223242 /nfs/dbraw/zinc/22/32/42/632223242.db2.gz IESBMFJTNJKSEA-NSHDSACASA-N 0 3 278.739 2.118 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(C)c(CC)s2)C1 ZINC000989766570 632237958 /nfs/dbraw/zinc/23/79/58/632237958.db2.gz RCTGOEHBOHJCPP-STQMWFEESA-N 0 3 290.432 2.445 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C)c3c2CCC3)C1 ZINC000989838873 632250772 /nfs/dbraw/zinc/25/07/72/632250772.db2.gz QGFXFSBYCJSDQL-CABCVRRESA-N 0 3 296.414 2.310 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccco3)CCC[C@@H]12 ZINC000989916517 632279047 /nfs/dbraw/zinc/27/90/47/632279047.db2.gz VGLKSYMAJDYSCP-HIFRSBDPSA-N 0 3 260.337 2.192 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccccc3O)CCC[C@H]12 ZINC000989960995 632290754 /nfs/dbraw/zinc/29/07/54/632290754.db2.gz PTQBRDHURGSWNZ-FUHWJXTLSA-N 0 3 298.386 2.142 20 30 CEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3ncoc3C)CCC[C@H]12 ZINC000989987999 632299190 /nfs/dbraw/zinc/29/91/90/632299190.db2.gz NNGWRKJFFQIWQC-XJKSGUPXSA-N 0 3 289.379 2.286 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](C)n3cccc3)CCC[C@H]12 ZINC000990236988 632328558 /nfs/dbraw/zinc/32/85/58/632328558.db2.gz MYJRWFQEYQEMKO-XYJFISCASA-N 0 3 299.418 2.186 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3c(C)ccn3C)CCC[C@@H]12 ZINC000990327606 632335640 /nfs/dbraw/zinc/33/56/40/632335640.db2.gz KHPOIWWGJQZJPD-RHSMWYFYSA-N 0 3 287.407 2.246 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3c(C)ccn3C)CCC[C@H]12 ZINC000990327610 632336230 /nfs/dbraw/zinc/33/62/30/632336230.db2.gz KHPOIWWGJQZJPD-YOEHRIQHSA-N 0 3 287.407 2.246 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3cc[nH]c3CC)CCC[C@H]12 ZINC000990512367 632373656 /nfs/dbraw/zinc/37/36/56/632373656.db2.gz FXVXDTJNYOZHFM-FUHWJXTLSA-N 0 3 299.418 2.327 20 30 CEEDHN CC[C@H](O)CNN=Cc1ccc(N(CC)CC)cc1 ZINC000811656390 632416085 /nfs/dbraw/zinc/41/60/85/632416085.db2.gz LFLWQIUAULZTKG-HNNXBMFYSA-N 0 3 263.385 2.227 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1COC[C@@H]1C1CC1 ZINC000898388878 632478815 /nfs/dbraw/zinc/47/88/15/632478815.db2.gz WDAVRYJBZQNIBN-HZPDHXFCSA-N 0 3 271.360 2.213 20 30 CEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCCC#N ZINC000813059546 632612143 /nfs/dbraw/zinc/61/21/43/632612143.db2.gz BRAAFNKWOUNWRU-LLVKDONJSA-N 0 3 285.303 2.036 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)c2[nH]c3ccccc3c2C#N)C1 ZINC000898978567 632666363 /nfs/dbraw/zinc/66/63/63/632666363.db2.gz WESYLUZVVWCZOS-GFCCVEGCSA-N 0 3 296.374 2.254 20 30 CEEDHN C=CCC(F)(F)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000815151762 632973223 /nfs/dbraw/zinc/97/32/23/632973223.db2.gz KFDQJXJSJYCQJE-GFCCVEGCSA-N 0 3 272.339 2.285 20 30 CEEDHN COCCC1CN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000826898863 635875757 /nfs/dbraw/zinc/87/57/57/635875757.db2.gz AXMITCCCGYAXHK-CYBMUJFWSA-N 0 3 274.364 2.446 20 30 CEEDHN Cc1ccc([C@H](O)CNCc2ccc(C#N)c(F)c2)o1 ZINC000817409047 633649779 /nfs/dbraw/zinc/64/97/79/633649779.db2.gz XCPOKSWUINYZTO-CQSZACIVSA-N 0 3 274.295 2.422 20 30 CEEDHN CC(=NN[C@@H]1CCCC[C@H]1O)c1ccccc1N(C)C ZINC000901338513 634053788 /nfs/dbraw/zinc/05/37/88/634053788.db2.gz JJXRVHXUTXGZEC-GDBMZVCRSA-N 0 3 275.396 2.370 20 30 CEEDHN C=CCC1(C(=O)NC[C@H](C)N2CCCCC2)CCOCC1 ZINC000819138449 634080371 /nfs/dbraw/zinc/08/03/71/634080371.db2.gz ANAGPMULUAHCPG-HNNXBMFYSA-N 0 3 294.439 2.350 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CCC[C@H]1C1CC1 ZINC000840379189 634136488 /nfs/dbraw/zinc/13/64/88/634136488.db2.gz JBVRQEVQAQUYPP-CVEARBPZSA-N 0 3 291.439 2.067 20 30 CEEDHN O=C(C#CC1CC1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000819642191 634233175 /nfs/dbraw/zinc/23/31/75/634233175.db2.gz NAXGVCDLNVXHRJ-ZWKOTPCHSA-N 0 3 294.398 2.133 20 30 CEEDHN CN1C[C@@H]2CCCN(c3nc(Cl)c(C#N)s3)[C@@H]2C1 ZINC000819953429 634297998 /nfs/dbraw/zinc/29/79/98/634297998.db2.gz PQWKGEWZZIHTGK-DTWKUNHWSA-N 0 3 282.800 2.199 20 30 CEEDHN C[C@H](N[C@@H](CO)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902806346 634830874 /nfs/dbraw/zinc/83/08/74/634830874.db2.gz KIGSYQNKWVUCHQ-XJKSGUPXSA-N 0 3 281.359 2.207 20 30 CEEDHN COc1ccc(C2(NCCO[C@@H](C)C#N)CC2)cc1 ZINC000801937730 634877293 /nfs/dbraw/zinc/87/72/93/634877293.db2.gz VATAHAOXCKRGDX-LBPRGKRZSA-N 0 3 260.337 2.203 20 30 CEEDHN N#CC1(CNC2CCN(C(=O)c3ccoc3)CC2)CCC1 ZINC000903031225 634939273 /nfs/dbraw/zinc/93/92/73/634939273.db2.gz JYXZOPATXMKTKW-UHFFFAOYSA-N 0 3 287.363 2.168 20 30 CEEDHN C[C@@H](N[C@@H]1CCO[C@H]1C1CC1)c1cc(C#N)ccn1 ZINC000903260795 635033807 /nfs/dbraw/zinc/03/38/07/635033807.db2.gz QTOXRIGHIZLCMH-YVLXSGLVSA-N 0 3 257.337 2.171 20 30 CEEDHN C=CCN1CC[C@H](N(C)CC[C@@H]2CC2(Cl)Cl)C1=O ZINC000823015348 635048760 /nfs/dbraw/zinc/04/87/60/635048760.db2.gz CARMCLIKLSWWLI-MNOVXSKESA-N 0 3 291.222 2.289 20 30 CEEDHN C=CCC1(NC(=O)[C@@H]2CCCN2C(C)C)CCOCC1 ZINC000825208835 635591114 /nfs/dbraw/zinc/59/11/14/635591114.db2.gz WHZUFAHGOKFTIV-AWEZNQCLSA-N 0 3 280.412 2.101 20 30 CEEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CCN2C)c([O-])c1 ZINC000905003904 635774958 /nfs/dbraw/zinc/77/49/58/635774958.db2.gz XYFGHVPUJNLWOU-QAEAHILHSA-N 0 3 275.396 2.361 20 30 CEEDHN C#CC[C@@H](NC[C@](C)(O)C(F)F)c1ccccc1 ZINC000905192290 635859426 /nfs/dbraw/zinc/85/94/26/635859426.db2.gz YOHQFTHPUIXQPN-OCCSQVGLSA-N 0 3 253.292 2.357 20 30 CEEDHN CSc1ccc(CNC[C@](C)(O)C(F)F)cc1C#N ZINC000905465218 636294557 /nfs/dbraw/zinc/29/45/57/636294557.db2.gz NDLNEQVXUKBKGR-ZDUSSCGKSA-N 0 3 286.347 2.386 20 30 CEEDHN C=CCOc1ccc(CN(C)CCN(C)C(=O)OC)cc1 ZINC000827335616 636298255 /nfs/dbraw/zinc/29/82/55/636298255.db2.gz SIKIEHSSWZHTSA-UHFFFAOYSA-N 0 3 292.379 2.381 20 30 CEEDHN Cc1cnc(CNC[C@H](O)c2ccc(C#N)cc2)c(C)c1 ZINC000905574541 636331817 /nfs/dbraw/zinc/33/18/17/636331817.db2.gz BGJPXCCDERNJHT-KRWDZBQOSA-N 0 3 281.359 2.393 20 30 CEEDHN C#CCCN1CCN(CC/C=C\c2cncc(OC)c2)CC1 ZINC000828103441 636508983 /nfs/dbraw/zinc/50/89/83/636508983.db2.gz MHIHYLHFJBSTAW-ALCCZGGFSA-N 0 3 299.418 2.134 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cn(CCC(C)=O)nn1 ZINC000906312867 636698339 /nfs/dbraw/zinc/69/83/39/636698339.db2.gz FASNKOCNILKYHP-GDBMZVCRSA-N 0 3 290.411 2.482 20 30 CEEDHN CCN1CCCN(C(=O)c2cc(C)c(C#N)c(C)c2)CC1 ZINC000906625029 636802480 /nfs/dbraw/zinc/80/24/80/636802480.db2.gz PCHXUKCCPHOBEN-UHFFFAOYSA-N 0 3 285.391 2.343 20 30 CEEDHN Cc1ccc(C#N)cc1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000829563779 636880662 /nfs/dbraw/zinc/88/06/62/636880662.db2.gz MTBIQNXHXQJFLI-LSDHHAIUSA-N 0 3 283.375 2.175 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)NC(C)(C)CC)C1 ZINC000829769545 636925784 /nfs/dbraw/zinc/92/57/84/636925784.db2.gz WPORNDXOGJUWOQ-CYBMUJFWSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)NC(CC)CC)C1 ZINC000829773595 636926343 /nfs/dbraw/zinc/92/63/43/636926343.db2.gz GSNWONHDVKEHHD-UONOGXRCSA-N 0 3 264.413 2.415 20 30 CEEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)N[C@@H](C)CCC)C1 ZINC000829774704 636926958 /nfs/dbraw/zinc/92/69/58/636926958.db2.gz SFUGBWLNQDREHE-RRFJBIMHSA-N 0 3 264.413 2.415 20 30 CEEDHN C#CC1CCN([C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000830311235 637032550 /nfs/dbraw/zinc/03/25/50/637032550.db2.gz ILEBRTSSFAHJND-CYBMUJFWSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CC1CCN(C[C@@H](O)c2cc(OC)ccc2OC)CC1 ZINC000830316335 637034387 /nfs/dbraw/zinc/03/43/87/637034387.db2.gz NZPFMSORFFOKEU-MRXNPFEDSA-N 0 3 289.375 2.082 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000876558098 650326272 /nfs/dbraw/zinc/32/62/72/650326272.db2.gz NZUGPIGSQMCCJW-ONGXEEELSA-N 0 3 282.775 2.263 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)c1ccccc1 ZINC000876561385 650328584 /nfs/dbraw/zinc/32/85/84/650328584.db2.gz IZSQIGIEQUURGM-ZWNOBZJWSA-N 0 3 266.772 2.376 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000876574355 650338498 /nfs/dbraw/zinc/33/84/98/650338498.db2.gz CECYUFLSRPUBEB-KGLIPLIRSA-N 0 3 294.782 2.056 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1cc(C)on1 ZINC000876597841 650353190 /nfs/dbraw/zinc/35/31/90/650353190.db2.gz VEFPYEWIYYXZEV-JQWIXIFHSA-N 0 3 283.759 2.116 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1C1CCC1 ZINC000876636521 650369638 /nfs/dbraw/zinc/36/96/38/650369638.db2.gz IZWFTZQDKUCMKM-NEPJUHHUSA-N 0 3 256.777 2.247 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1C1CCC1 ZINC000876636524 650369923 /nfs/dbraw/zinc/36/99/23/650369923.db2.gz IZWFTZQDKUCMKM-VXGBXAGGSA-N 0 3 256.777 2.247 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(OC)c(C)c1 ZINC000876639643 650370675 /nfs/dbraw/zinc/37/06/75/650370675.db2.gz VRSPPANEWMIZGK-CYBMUJFWSA-N 0 3 296.798 2.432 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2ccccc2)CC1 ZINC000876642205 650371746 /nfs/dbraw/zinc/37/17/46/650371746.db2.gz ZMXGDQRYXDEPJY-GFCCVEGCSA-N 0 3 264.756 2.262 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccccc1OCC ZINC000876644668 650372683 /nfs/dbraw/zinc/37/26/83/650372683.db2.gz DCQTXJPTSCJNRD-ZDUSSCGKSA-N 0 3 296.798 2.214 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCc2c1cccc2OC ZINC000876645919 650374025 /nfs/dbraw/zinc/37/40/25/650374025.db2.gz PYMDHGKFKQVBTL-OLZOCXBDSA-N 0 3 294.782 2.269 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000876656639 650381119 /nfs/dbraw/zinc/38/11/19/650381119.db2.gz SMTOBRPUVIXWEP-NWDGAFQWSA-N 0 3 258.793 2.351 20 30 CEEDHN C=CCONC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000834924122 637990176 /nfs/dbraw/zinc/99/01/76/637990176.db2.gz XTNBWLJDPSBXKO-HNNXBMFYSA-N 0 3 289.379 2.240 20 30 CEEDHN Nc1ccc2c(c1)CCCC2=NNC1CCOCC1 ZINC000834961646 637998687 /nfs/dbraw/zinc/99/86/87/637998687.db2.gz PERFZAFLCBRXPG-UHFFFAOYSA-N 0 3 259.353 2.078 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccc(C)c(OC)c1 ZINC000876664984 650386927 /nfs/dbraw/zinc/38/69/27/650386927.db2.gz KQYJNSBAQGJNFB-ZDUSSCGKSA-N 0 3 296.798 2.132 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000876683894 650397718 /nfs/dbraw/zinc/39/77/18/650397718.db2.gz YRCUULUEFLVEFT-HZSPNIEDSA-N 0 3 278.783 2.204 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H]3CCC3(F)F)CCC[C@@H]12 ZINC000991293831 638202589 /nfs/dbraw/zinc/20/25/89/638202589.db2.gz AWOHCRUVESSEDQ-GZBFAFLISA-N 0 3 296.361 2.168 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)C ZINC000876701906 650405668 /nfs/dbraw/zinc/40/56/68/650405668.db2.gz ZTANAOUWHQJQPA-RWMBFGLXSA-N 0 3 288.819 2.024 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1SCC ZINC000876700888 650405708 /nfs/dbraw/zinc/40/57/08/650405708.db2.gz ZOVKAOPEBPESEM-AXFHLTTASA-N 0 3 276.833 2.247 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cc(C)no1 ZINC000911643726 638335248 /nfs/dbraw/zinc/33/52/48/638335248.db2.gz XDPVHIBKHYXMPJ-CHWSQXEVSA-N 0 3 277.368 2.330 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000911882555 638453240 /nfs/dbraw/zinc/45/32/40/638453240.db2.gz IQONHYWJFFXIIB-CQSZACIVSA-N 0 3 275.352 2.267 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1csc(CC)n1 ZINC000876764660 650424563 /nfs/dbraw/zinc/42/45/63/650424563.db2.gz PPIXSWRMSUSZSP-DTWKUNHWSA-N 0 3 287.816 2.353 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ncc(C)s1 ZINC000876776856 650428381 /nfs/dbraw/zinc/42/83/81/650428381.db2.gz HNNLJNRVKOFKCV-RKDXNWHRSA-N 0 3 273.789 2.099 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCCc1cccs1 ZINC000912068896 638546818 /nfs/dbraw/zinc/54/68/18/638546818.db2.gz SAOWHBFFWDRHME-GFCCVEGCSA-N 0 3 252.383 2.090 20 30 CEEDHN CCCCCCCC[C@H](N)C(=O)N1CCO[C@@H](C)C1 ZINC000912169586 638595602 /nfs/dbraw/zinc/59/56/02/638595602.db2.gz YHNUBTBXFWUBGD-KBPBESRZSA-N 0 3 270.417 2.312 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(F)c(C)c1 ZINC000912170735 638595831 /nfs/dbraw/zinc/59/58/31/638595831.db2.gz OVLVXLVWIITWOQ-CQSZACIVSA-N 0 3 264.344 2.434 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](C)C[C@H](C)[C@H]1C ZINC000836490296 638649271 /nfs/dbraw/zinc/64/92/71/638649271.db2.gz SNEJJGCGWRAUKE-QLFBSQMISA-N 0 3 279.428 2.018 20 30 CEEDHN C=CCC1(NC(=O)c2ccnn2CCN(C)C)CCCC1 ZINC000912520904 638719069 /nfs/dbraw/zinc/71/90/69/638719069.db2.gz GCRJRASBBJALNF-UHFFFAOYSA-N 0 3 290.411 2.063 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3[nH]c(C)cc3C)CCC[C@@H]12 ZINC000991412664 639042934 /nfs/dbraw/zinc/04/29/34/639042934.db2.gz DMGPXDYXMODBOH-CRAIPNDOSA-N 0 3 299.418 2.382 20 30 CEEDHN C[C@@H](NC(=O)C#CC1CC1)[C@@H](c1ccccc1)N(C)C ZINC000837539714 639273309 /nfs/dbraw/zinc/27/33/09/639273309.db2.gz WGCMJOHWVLTISF-DYVFJYSZSA-N 0 3 270.376 2.207 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)Cc1cccs1 ZINC000876594636 639312931 /nfs/dbraw/zinc/31/29/31/639312931.db2.gz SUWZYEDTHMNLRJ-ONGXEEELSA-N 0 3 272.801 2.265 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)C#CC2CC2)CCN1Cc1ccccc1 ZINC000837656533 639328814 /nfs/dbraw/zinc/32/88/14/639328814.db2.gz QJNNEVKIDIVBBY-YOEHRIQHSA-N 0 3 282.387 2.179 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)C#CC2CC2)C1 ZINC000837685606 639343058 /nfs/dbraw/zinc/34/30/58/639343058.db2.gz BMCMHZWXZXCBDR-MRXNPFEDSA-N 0 3 296.414 2.380 20 30 CEEDHN COCCCCNCc1cc(C#N)cnc1Cl ZINC000876933984 650492350 /nfs/dbraw/zinc/49/23/50/650492350.db2.gz BNPNGKNYAKNNAZ-UHFFFAOYSA-N 0 3 253.733 2.123 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000876936188 650493523 /nfs/dbraw/zinc/49/35/23/650493523.db2.gz XYIJBUXOUOSVHV-MCIONIFRSA-N 0 3 278.783 2.376 20 30 CEEDHN C#CCCOc1ccc(CNc2nccn2C)cc1 ZINC000840887210 639574094 /nfs/dbraw/zinc/57/40/94/639574094.db2.gz HVYYBCUSICJOOM-UHFFFAOYSA-N 0 3 255.321 2.434 20 30 CEEDHN C#CCCCN1CCN(c2cccc(OC)c2)CC1 ZINC000169043554 639594606 /nfs/dbraw/zinc/59/46/06/639594606.db2.gz HBEBUGVNJIYVEL-UHFFFAOYSA-N 0 3 258.365 2.231 20 30 CEEDHN C=CCC1(NC(=O)[C@@H](N)CC(=C)Cl)CCCC1 ZINC000876971953 650512858 /nfs/dbraw/zinc/51/28/58/650512858.db2.gz UDGYGSGMFARRCX-NSHDSACASA-N 0 3 256.777 2.461 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000841300503 639733080 /nfs/dbraw/zinc/73/30/80/639733080.db2.gz QSEGWWQKBQSQCW-UHFFFAOYSA-N 0 3 274.368 2.041 20 30 CEEDHN C[C@@H](O)CN(C)N=Cc1ccc(N2CCCCC2)cc1 ZINC000841653770 639823373 /nfs/dbraw/zinc/82/33/73/639823373.db2.gz IUXXUWHAJUFKSU-CQSZACIVSA-N 0 3 275.396 2.323 20 30 CEEDHN OC[C@@H]1CCCN1N=Cc1ccc(N2CCCCC2)cc1 ZINC000841661475 639828450 /nfs/dbraw/zinc/82/84/50/639828450.db2.gz HVDQSHGUSQWNMO-KRWDZBQOSA-N 0 3 287.407 2.468 20 30 CEEDHN C=CCN1CCC([NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000877009419 650529826 /nfs/dbraw/zinc/52/98/26/650529826.db2.gz LRGGSOZRKTVWMN-UHFFFAOYSA-N 0 3 260.381 2.441 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)c3cc[nH]c3C3CC3)CCC[C@H]12 ZINC000992120657 639965760 /nfs/dbraw/zinc/96/57/60/639965760.db2.gz AJDYJEFFULYTNV-YJBOKZPZSA-N 0 3 297.402 2.252 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)C3CC4(CC4)C3)CCC[C@@H]12 ZINC000992181741 639981725 /nfs/dbraw/zinc/98/17/25/639981725.db2.gz WBYCJZYOVTUORY-CRAIPNDOSA-N 0 3 286.419 2.313 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CC(C)C)CCC[C@H]12 ZINC000992242698 640001870 /nfs/dbraw/zinc/00/18/70/640001870.db2.gz SEPIRPKFVBZXQB-CBZIJGRNSA-N 0 3 288.435 2.415 20 30 CEEDHN CCCCCCCSc1nnnn1CCN(C)C ZINC000151663472 640062365 /nfs/dbraw/zinc/06/23/65/640062365.db2.gz GFDNATXTBQWEFF-UHFFFAOYSA-N 0 3 271.434 2.297 20 30 CEEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2CCCC[C@H]2O)c1 ZINC000877054847 650551154 /nfs/dbraw/zinc/55/11/54/650551154.db2.gz IKTRQVBWBCXUQQ-WCQYABFASA-N 0 3 279.771 2.247 20 30 CEEDHN CCC(=NN(C)[C@H](C)CO)c1ccc(N(C)C)cc1 ZINC000842540664 640095732 /nfs/dbraw/zinc/09/57/32/640095732.db2.gz MAJGESQCSOZGOD-GFCCVEGCSA-N 0 3 263.385 2.179 20 30 CEEDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)c1ccc(C#N)cc1 ZINC000914206540 640273847 /nfs/dbraw/zinc/27/38/47/640273847.db2.gz RMWWOYDQEOONDZ-YWPYICTPSA-N 0 3 286.379 2.011 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccoc2C)[C@@H]1C ZINC000993030315 640407485 /nfs/dbraw/zinc/40/74/85/640407485.db2.gz FHVDHYCWEUCVHI-WFASDCNBSA-N 0 3 274.364 2.194 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2COC[C@H]2C2CC2)c(F)c1 ZINC000914436556 640407666 /nfs/dbraw/zinc/40/76/66/640407666.db2.gz XXPBBYPSNDVFQC-DZGCQCFKSA-N 0 3 260.312 2.212 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C)no2)[C@H]1C ZINC000993032425 640408707 /nfs/dbraw/zinc/40/87/07/640408707.db2.gz RJPAINSDUWSLIO-OLZOCXBDSA-N 0 3 277.368 2.142 20 30 CEEDHN C#CC[C@H]1CCCN(Cc2ccnn2CCCOC)C1 ZINC000843424276 640424599 /nfs/dbraw/zinc/42/45/99/640424599.db2.gz XQCOPLJHNPSQEJ-HNNXBMFYSA-N 0 3 275.396 2.155 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2oc(C)nc2C)[C@@H]1C ZINC000993186216 640522162 /nfs/dbraw/zinc/52/21/62/640522162.db2.gz PEADPKUJAKFIGA-JSGCOSHPSA-N 0 3 291.395 2.450 20 30 CEEDHN CC(C)(CCCO)CNCc1cc(C#N)cnc1Cl ZINC000877131982 650587184 /nfs/dbraw/zinc/58/71/84/650587184.db2.gz QFKFVBGUUXBTCE-UHFFFAOYSA-N 0 3 281.787 2.495 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000843896648 640552892 /nfs/dbraw/zinc/55/28/92/640552892.db2.gz ICPLEXFHLPEINV-UONOGXRCSA-N 0 3 264.413 2.130 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2csnc2C)C1 ZINC001007148825 640573424 /nfs/dbraw/zinc/57/34/24/640573424.db2.gz KHWIVAMJJJRZMX-GFCCVEGCSA-N 0 3 279.409 2.222 20 30 CEEDHN C#CC1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC000844045171 640587474 /nfs/dbraw/zinc/58/74/74/640587474.db2.gz BVVPQTQUTYHYLJ-UHFFFAOYSA-N 0 3 264.413 2.370 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001015645202 640592433 /nfs/dbraw/zinc/59/24/33/640592433.db2.gz BAEBCLZCXUCJLS-QGZVFWFLSA-N 0 3 298.430 2.368 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001015655525 640632530 /nfs/dbraw/zinc/63/25/30/640632530.db2.gz RKYUATNNVIPJQD-HNNXBMFYSA-N 0 3 262.397 2.499 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2c[nH]nc2CC)[C@@H]1C ZINC000993556979 640657620 /nfs/dbraw/zinc/65/76/20/640657620.db2.gz SMEWOHXWVPNSLB-SWLSCSKDSA-N 0 3 290.411 2.131 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(CC)[C@H]2C)C1 ZINC000993789613 640676436 /nfs/dbraw/zinc/67/64/36/640676436.db2.gz MLFUYHUWNCRBGZ-STQMWFEESA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2conc2CC)[C@@H]1C ZINC000993778502 640678317 /nfs/dbraw/zinc/67/83/17/640678317.db2.gz CSMHVCNYHCAUOW-SWLSCSKDSA-N 0 3 291.395 2.396 20 30 CEEDHN CCCNN=C(C)c1cccc(N2CCOCC2)c1 ZINC000915965081 640714536 /nfs/dbraw/zinc/71/45/36/640714536.db2.gz DFPPNUGSIQGUSN-UHFFFAOYSA-N 0 3 261.369 2.247 20 30 CEEDHN Cc1nnc(SC[C@H]2CCCN2C)c(C#N)c1C ZINC000916570053 640781394 /nfs/dbraw/zinc/78/13/94/640781394.db2.gz NZYAJGYHLYTURB-LLVKDONJSA-N 0 3 262.382 2.151 20 30 CEEDHN C[C@@H](O)[C@H]1CCCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877170537 650608207 /nfs/dbraw/zinc/60/82/07/650608207.db2.gz QBGYFQNKPAYPQO-HIFRSBDPSA-N 0 3 287.407 2.217 20 30 CEEDHN CC(C)SCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000916895660 640828759 /nfs/dbraw/zinc/82/87/59/640828759.db2.gz ONHJZVGUGDHWFJ-GFCCVEGCSA-N 0 3 282.409 2.286 20 30 CEEDHN C=C(C)CONC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000845596885 641008980 /nfs/dbraw/zinc/00/89/80/641008980.db2.gz GOHDWCAKOINVJJ-AWEZNQCLSA-N 0 3 291.395 2.314 20 30 CEEDHN C=CCN(C(=O)N[C@@H]1CCCN(CC)C1)C(C)C ZINC000919657691 641063575 /nfs/dbraw/zinc/06/35/75/641063575.db2.gz XUWNCOJLYYTSDI-CYBMUJFWSA-N 0 3 253.390 2.077 20 30 CEEDHN CC(C)[C@H](C#N)N1CCN(C[C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000930109050 641099198 /nfs/dbraw/zinc/09/91/98/641099198.db2.gz FOISMICQQISWEW-HZMVEIRTSA-N 0 3 293.455 2.356 20 30 CEEDHN CN(C[C@H](O)c1cccc(C#N)c1)C[C@H]1CCC=CO1 ZINC000846007803 641149540 /nfs/dbraw/zinc/14/95/40/641149540.db2.gz QHRGECIGBVMMPR-CVEARBPZSA-N 0 3 272.348 2.216 20 30 CEEDHN C#C[C@@H]1CCCN(Cc2c(C)nc3ccccn32)C1 ZINC000847023589 641529875 /nfs/dbraw/zinc/52/98/75/641529875.db2.gz FALJUXBASAHXGJ-CQSZACIVSA-N 0 3 253.349 2.488 20 30 CEEDHN C#C[C@H]1CCCN(C[C@@H]2CN(C3CCCCC3)C(=O)O2)C1 ZINC000847033681 641540360 /nfs/dbraw/zinc/54/03/60/641540360.db2.gz GFBWRIRCSOJSJU-GOEBONIOSA-N 0 3 290.407 2.485 20 30 CEEDHN C=CCN(CC(=O)N1CCO[C@H](C)C1)CC1CCCCC1 ZINC000069859732 641608693 /nfs/dbraw/zinc/60/86/93/641608693.db2.gz LAYRFSUJHIVMDI-OAHLLOKOSA-N 0 3 294.439 2.302 20 30 CEEDHN C#C[C@@H]1CCCN(C(=O)NC2CCN(CC(=C)C)CC2)C1 ZINC000847310846 641630225 /nfs/dbraw/zinc/63/02/25/641630225.db2.gz QHTLWGAXNUMMPZ-OAHLLOKOSA-N 0 3 289.423 2.082 20 30 CEEDHN C[C@@H]1CN(Cc2cccc(C#N)c2)CC[C@H]1NC(=O)C1CC1 ZINC000941706673 641739497 /nfs/dbraw/zinc/73/94/97/641739497.db2.gz ADJBUODJQGZNCV-CXAGYDPISA-N 0 3 297.402 2.295 20 30 CEEDHN C#CCNC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000183902923 641811634 /nfs/dbraw/zinc/81/16/34/641811634.db2.gz HHIWYZDZVYGKQB-INIZCTEOSA-N 0 3 287.407 2.075 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000848397826 641977878 /nfs/dbraw/zinc/97/78/78/641977878.db2.gz MRRGMGXKNKNFNV-CYBMUJFWSA-N 0 3 299.330 2.143 20 30 CEEDHN CO[C@H](C)CC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000195492116 642015387 /nfs/dbraw/zinc/01/53/87/642015387.db2.gz RXLQIPJEOOHPNM-YPMHNXCESA-N 0 3 274.320 2.067 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCC(NCc2conc2C)CC1 ZINC000996880418 642149185 /nfs/dbraw/zinc/14/91/85/642149185.db2.gz ZVWJGAIMXZZKRJ-UHFFFAOYSA-N 0 3 291.395 2.276 20 30 CEEDHN CN(C)C(=[NH+]Cc1cc(Cl)ccc1[O-])N(C)C ZINC000849048473 642256912 /nfs/dbraw/zinc/25/69/12/642256912.db2.gz 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Cc1ccc([C@@H](C)[NH2+]C2CCN(CC#N)CC2)c([O-])c1 ZINC000756555999 644665456 /nfs/dbraw/zinc/66/54/56/644665456.db2.gz YOWRLGLEMXOLJE-CYBMUJFWSA-N 0 3 273.380 2.339 20 30 CEEDHN C=CC[C@@H](C)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000877898517 650941661 /nfs/dbraw/zinc/94/16/61/650941661.db2.gz PDIMYDXMQZGAQW-OAHLLOKOSA-N 0 3 287.407 2.207 20 30 CEEDHN C[C@H]1CC(=NNc2nc(=O)c3ccccc3[nH]2)CCN1C ZINC000757582916 644821395 /nfs/dbraw/zinc/82/13/95/644821395.db2.gz GQQOFPIQQGBWBI-JTQLQIEISA-N 0 3 285.351 2.217 20 30 CEEDHN C#CCCCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000758631652 644946811 /nfs/dbraw/zinc/94/68/11/644946811.db2.gz YFKPOCIXWZUDCQ-QGZVFWFLSA-N 0 3 299.418 2.213 20 30 CEEDHN C#C[C@H](NC[C@@H](O)CCCCCC)[C@H]1CCCO1 ZINC000759438685 645026945 /nfs/dbraw/zinc/02/69/45/645026945.db2.gz VBDUSLQGVNYYHN-SOUVJXGZSA-N 0 3 253.386 2.088 20 30 CEEDHN C#CC[C@H](COC)NCc1ccc(N(C)C)c(F)c1 ZINC000858335408 645123539 /nfs/dbraw/zinc/12/35/39/645123539.db2.gz TWROQQCVNXEEMU-CYBMUJFWSA-N 0 3 264.344 2.020 20 30 CEEDHN Cc1ccc(OCC(=O)C(C#N)c2ccncn2)cc1 ZINC000760351289 645145019 /nfs/dbraw/zinc/14/50/19/645145019.db2.gz DSTSEQSSSWRGGQ-CYBMUJFWSA-N 0 3 267.288 2.040 20 30 CEEDHN C#CCCOC(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000858914881 645292752 /nfs/dbraw/zinc/29/27/52/645292752.db2.gz DXWNQUARJOSEOW-UHFFFAOYSA-N 0 3 266.385 2.199 20 30 CEEDHN C#CCCOC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000859107747 645366143 /nfs/dbraw/zinc/36/61/43/645366143.db2.gz BZDFHWWWGXZIBR-HOCLYGCPSA-N 0 3 286.375 2.256 20 30 CEEDHN C#CCNC(=O)CN[C@@H](c1cccc(C)c1)C(C)C ZINC000859847250 645631709 /nfs/dbraw/zinc/63/17/09/645631709.db2.gz WALKISDGPMHELS-MRXNPFEDSA-N 0 3 258.365 2.031 20 30 CEEDHN N#CC(C(=O)[C@H]1C[C@]12CCOC2)c1nc2ccccc2[nH]1 ZINC000764758592 645686152 /nfs/dbraw/zinc/68/61/52/645686152.db2.gz MQKLDIMROLIVFO-UVWXRNBGSA-N 0 3 281.315 2.166 20 30 CEEDHN C=CC[C@@H](C)N1CCN(Cc2c(C)noc2C)CC1 ZINC000878219779 651039384 /nfs/dbraw/zinc/03/93/84/651039384.db2.gz PYGWOCSHXYJHEX-GFCCVEGCSA-N 0 3 263.385 2.374 20 30 CEEDHN C#CCOc1ccc(CN2CCN(C(C)C)CC2)cc1 ZINC000127025601 651054196 /nfs/dbraw/zinc/05/41/96/651054196.db2.gz BHTQYPSLINZNRW-UHFFFAOYSA-N 0 3 272.392 2.225 20 30 CEEDHN C#CCC(C)(C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000767043705 645948600 /nfs/dbraw/zinc/94/86/00/645948600.db2.gz GGPRATIOEAEELY-INIZCTEOSA-N 0 3 286.419 2.325 20 30 CEEDHN N#Cc1ccccc1N1CCCN(CCC(=O)C2CC2)CC1 ZINC000767350693 645979567 /nfs/dbraw/zinc/97/95/67/645979567.db2.gz ORGIQSLASOHACY-UHFFFAOYSA-N 0 3 297.402 2.440 20 30 CEEDHN CCCCCCN(C)CC(=O)N(C)[C@H](C)CC#N ZINC000118331889 646203533 /nfs/dbraw/zinc/20/35/33/646203533.db2.gz HNXFFPIHWHEPAK-CYBMUJFWSA-N 0 3 253.390 2.259 20 30 CEEDHN CO[C@H]1CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000769452535 646268444 /nfs/dbraw/zinc/26/84/44/646268444.db2.gz WBNKINWERFGNEA-DOMZBBRYSA-N 0 3 260.337 2.198 20 30 CEEDHN C#CC[C@H]1CCN(Cc2cnc([C@H](C)O)s2)C1 ZINC000862445174 646463087 /nfs/dbraw/zinc/46/30/87/646463087.db2.gz NLWANGFASAUTTM-QWRGUYRKSA-N 0 3 250.367 2.042 20 30 CEEDHN C#CCOc1ccccc1CN[C@H]1CC=C(C(=O)OCC)C1 ZINC000862487080 646476730 /nfs/dbraw/zinc/47/67/30/646476730.db2.gz LMAULGCYDWEXPQ-INIZCTEOSA-N 0 3 299.370 2.440 20 30 CEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C=CSC ZINC000771577696 646533474 /nfs/dbraw/zinc/53/34/74/646533474.db2.gz FHNBPKMPXWDITR-GQYWMQPJSA-N 0 3 290.344 2.219 20 30 CEEDHN CCC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(N)cc1 ZINC000863103658 646636220 /nfs/dbraw/zinc/63/62/20/646636220.db2.gz GSQFHAURHVDBJU-GJZGRUSLSA-N 0 3 285.395 2.243 20 30 CEEDHN Cc1cnccc1N=NC1CCCN2CCCC[C@H]12 ZINC000863157506 646656616 /nfs/dbraw/zinc/65/66/16/646656616.db2.gz BUHCMSHYUZWNPP-OAHLLOKOSA-N 0 3 258.369 2.228 20 30 CEEDHN c1ccc2c(c1)NCCCC2=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000774395096 646841574 /nfs/dbraw/zinc/84/15/74/646841574.db2.gz RBTWQVMKZLVRBL-HOTGVXAUSA-N 0 3 297.406 2.456 20 30 CEEDHN COC(=O)CC(C)(C)NCc1cccc(C#N)c1F ZINC000774688507 646879001 /nfs/dbraw/zinc/87/90/01/646879001.db2.gz XCPOOSMLSKGPRC-UHFFFAOYSA-N 0 3 264.300 2.129 20 30 CEEDHN C#C[C@H](N[C@@H](C)Cc1ccn(C(C)C)n1)[C@H]1CCCO1 ZINC000775571456 646967658 /nfs/dbraw/zinc/96/76/58/646967658.db2.gz HKGAJBUNVLQELQ-CWRNSKLLSA-N 0 3 275.396 2.165 20 30 CEEDHN C#C[C@H](NCCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCCO1 ZINC000775789954 646993359 /nfs/dbraw/zinc/99/33/59/646993359.db2.gz FOVMYDHLGZYXEV-JONQDZQNSA-N 0 3 265.397 2.352 20 30 CEEDHN N#Cc1ccc(CN2CCC(NCc3ccon3)CC2)cc1 ZINC000776164373 647029934 /nfs/dbraw/zinc/02/99/34/647029934.db2.gz ZKJDEHSWAAGSHQ-UHFFFAOYSA-N 0 3 296.374 2.300 20 30 CEEDHN CC(C)C[C@@H](C)OCCC(=O)C(C#N)C(=O)NC(C)C ZINC000120081799 647036000 /nfs/dbraw/zinc/03/60/00/647036000.db2.gz PRAAWPHZWMTTHJ-CHWSQXEVSA-N 0 3 282.384 2.061 20 30 CEEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN1CC=CCC1 ZINC000778576997 647244682 /nfs/dbraw/zinc/24/46/82/647244682.db2.gz MXSUMIVRSAFXSQ-UHFFFAOYSA-N 0 3 279.347 2.345 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ncc(C)cc2C)CC1 ZINC000780482845 647433673 /nfs/dbraw/zinc/43/36/73/647433673.db2.gz AELVIWVCZPIBHG-UHFFFAOYSA-N 0 3 273.380 2.079 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccn(C)n3)nc21 ZINC000782599232 647641890 /nfs/dbraw/zinc/64/18/90/647641890.db2.gz DBOGZFVVOROGND-GFCCVEGCSA-N 0 3 293.330 2.024 20 30 CEEDHN Cc1cccc2nc(C(C#N)C(=O)Cc3ccn(C)n3)[nH]c21 ZINC000782599232 647641895 /nfs/dbraw/zinc/64/18/95/647641895.db2.gz DBOGZFVVOROGND-GFCCVEGCSA-N 0 3 293.330 2.024 20 30 CEEDHN N#CCCCOc1cccc(CN2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000783738050 647755111 /nfs/dbraw/zinc/75/51/11/647755111.db2.gz AUUHAMFKKPOZAH-WBVHZDCISA-N 0 3 286.375 2.183 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CCCOCC1 ZINC000786310332 647999687 /nfs/dbraw/zinc/99/96/87/647999687.db2.gz IHGAHDAONXQXKX-GXTWGEPZSA-N 0 3 286.331 2.151 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CCCCO2)c1 ZINC000121962554 648022800 /nfs/dbraw/zinc/02/28/00/648022800.db2.gz PIBVOWPNVVUKBV-UONOGXRCSA-N 0 3 286.331 2.212 20 30 CEEDHN N#CCCCOC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000786879264 648052689 /nfs/dbraw/zinc/05/26/89/648052689.db2.gz LZKQRLXOHYRTDL-ZDUSSCGKSA-N 0 3 250.342 2.240 20 30 CEEDHN C[C@@H]1CC(N=Nc2ccc3c(cc[nH]c3=O)c2)CN1C ZINC000789070729 648254296 /nfs/dbraw/zinc/25/42/96/648254296.db2.gz KLFVDFUHJSBGJS-SNVBAGLBSA-N 0 3 270.336 2.020 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000791067833 648479372 /nfs/dbraw/zinc/47/93/72/648479372.db2.gz XVMPYKWBEHUCCV-DLBZAZTESA-N 0 3 299.418 2.362 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)CCCC1 ZINC000869776404 648597420 /nfs/dbraw/zinc/59/74/20/648597420.db2.gz GPAQPFOJPFKCCM-AWEZNQCLSA-N 0 3 294.439 2.084 20 30 CEEDHN N#CC(C(=O)C[C@H]1COC(=O)C1)c1nccc2ccccc21 ZINC000792105474 648609114 /nfs/dbraw/zinc/60/91/14/648609114.db2.gz MJNPDRWAUNODEN-BXUZGUMPSA-N 0 3 294.310 2.364 20 30 CEEDHN C#CCOc1ccccc1CN[C@H]1CC[C@H](C(=O)OC)C1 ZINC000792204290 648625531 /nfs/dbraw/zinc/62/55/31/648625531.db2.gz YJRICVSXEBRXTG-ZFWWWQNUSA-N 0 3 287.359 2.130 20 30 CEEDHN CSCCON=Cc1ccc2c(c1)CCN2C ZINC000794577257 648886959 /nfs/dbraw/zinc/88/69/59/648886959.db2.gz RHJZVXBXHVOHIT-UHFFFAOYSA-N 0 3 250.367 2.392 20 30 CEEDHN C#CCN1CCC(C(=O)NCC2CCC3(CC3)CC2)CC1 ZINC000871016283 648979134 /nfs/dbraw/zinc/97/91/34/648979134.db2.gz OVNSNYURAZPPTI-UHFFFAOYSA-N 0 3 288.435 2.418 20 30 CEEDHN CN1CCN(C(=O)c2cc(C#N)ccc2F)CCC1(C)C ZINC000871157415 649017571 /nfs/dbraw/zinc/01/75/71/649017571.db2.gz MLFJDCFEGOOHRF-UHFFFAOYSA-N 0 3 289.354 2.254 20 30 CEEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(O)ccc1F ZINC000872054546 649256919 /nfs/dbraw/zinc/25/69/19/649256919.db2.gz YFTCPSXDCQMZGG-GHMZBOCLSA-N 0 3 253.317 2.367 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC2(CCNC2=O)CC1 ZINC000872096146 649271959 /nfs/dbraw/zinc/27/19/59/649271959.db2.gz XYVZVIARIBICNE-ZDUSSCGKSA-N 0 3 283.375 2.221 20 30 CEEDHN C#C[C@H]1CC[C@H](N[C@@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000872139019 649289952 /nfs/dbraw/zinc/28/99/52/649289952.db2.gz CUDGIOABNFUEBI-BPLDGKMQSA-N 0 3 281.363 2.071 20 30 CEEDHN CC(C)(O)C[C@@H](O)CN[C@@H](CCC#N)c1ccccc1 ZINC000872204966 649314580 /nfs/dbraw/zinc/31/45/80/649314580.db2.gz LZWOVSOHQIVBRL-CABCVRRESA-N 0 3 276.380 2.143 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)C[C@H](C)C(C)(C)C ZINC000873024288 649535043 /nfs/dbraw/zinc/53/50/43/649535043.db2.gz MVTGRVQPRNPTPY-AWEZNQCLSA-N 0 3 281.444 2.265 20 30 CEEDHN C=CC(C)(C)CCCNCc1cn(C[C@H]2CCOC2)nn1 ZINC000873152042 649570991 /nfs/dbraw/zinc/57/09/91/649570991.db2.gz WUKBBHDXBGWXKO-CQSZACIVSA-N 0 3 292.427 2.397 20 30 CEEDHN C=CCC(C)(C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874827290 649843452 /nfs/dbraw/zinc/84/34/52/649843452.db2.gz QOYHLUIRNGKDQG-OLZOCXBDSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CC(C)(C)CC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000878895963 651205650 /nfs/dbraw/zinc/20/56/50/651205650.db2.gz RIPVLBNAQKBRNX-UHFFFAOYSA-N 0 3 294.439 2.160 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC([C@@H](F)C(N)=O)CC1 ZINC000879045183 651234042 /nfs/dbraw/zinc/23/40/42/651234042.db2.gz WNTGNTVNVBWUQP-IAQYHMDHSA-N 0 3 289.354 2.155 20 30 CEEDHN C=CC[C@H](C)N1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC000879367555 651293268 /nfs/dbraw/zinc/29/32/68/651293268.db2.gz LFQVZAAOHXXQAV-QWRGUYRKSA-N 0 3 261.312 2.471 20 30 CEEDHN N#Cc1ccc(N2CCN(CC[C@@H]3CCCO3)CC2)cc1 ZINC000879586891 651327884 /nfs/dbraw/zinc/32/78/84/651327884.db2.gz YKESOTAHZKPSNL-KRWDZBQOSA-N 0 3 285.391 2.249 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](CF)C1 ZINC000880293908 651416801 /nfs/dbraw/zinc/41/68/01/651416801.db2.gz QDZINCPRHIDYOJ-ZDUSSCGKSA-N 0 3 278.327 2.237 20 30 CEEDHN C#CCC1(O)CCN(Cc2ccc(C)c(OC)c2)CC1 ZINC000880483452 651448457 /nfs/dbraw/zinc/44/84/57/651448457.db2.gz CZYCMZGZSAOCEK-UHFFFAOYSA-N 0 3 273.376 2.354 20 30 CEEDHN Cc1cc(F)c(C#N)cc1NC(=O)N[C@H]1CCCN(C)C1 ZINC000880994891 651575647 /nfs/dbraw/zinc/57/56/47/651575647.db2.gz WUDHTERZNYUIEI-LBPRGKRZSA-N 0 3 290.342 2.222 20 30 CEEDHN CC(C)(C)[C@H](N)c1cn(Cc2ccc(OCC#N)cc2)nn1 ZINC000881284989 651663105 /nfs/dbraw/zinc/66/31/05/651663105.db2.gz CXHKWAKVWPARIO-OAHLLOKOSA-N 0 3 299.378 2.275 20 30 CEEDHN Cc1nc(C#N)cc(N2CCN(C3CCC(C)CC3)CC2)n1 ZINC000881985572 651930362 /nfs/dbraw/zinc/93/03/62/651930362.db2.gz CCCOCGRVNAIXGH-UHFFFAOYSA-N 0 3 299.422 2.357 20 30 CEEDHN C#CC[C@H](CO)NCc1cnc(C2CCCC2)s1 ZINC000883123569 652369279 /nfs/dbraw/zinc/36/92/79/652369279.db2.gz CEAUYWMNQQMXLF-GFCCVEGCSA-N 0 3 264.394 2.275 20 30 CEEDHN C#CC[C@H](CO)NCc1ccc(OCCC)c(OCC)c1 ZINC000883123189 652369477 /nfs/dbraw/zinc/36/94/77/652369477.db2.gz OZXYUFWRZRCJMC-OAHLLOKOSA-N 0 3 291.391 2.348 20 30 CEEDHN C#CC[C@H](CO)NCc1c(C)nc2scc(C3CC3)n12 ZINC000883124177 652369484 /nfs/dbraw/zinc/36/94/84/652369484.db2.gz ZJFCEIYINIQLDC-GFCCVEGCSA-N 0 3 289.404 2.055 20 30 CEEDHN C#CC[C@@H](CO)NCc1cc2cccc(CC)c2o1 ZINC000883125233 652370174 /nfs/dbraw/zinc/37/01/74/652370174.db2.gz COLKQKXGUZHLEB-AWEZNQCLSA-N 0 3 257.333 2.469 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000883124850 652370216 /nfs/dbraw/zinc/37/02/16/652370216.db2.gz RTHQTRZBDHWQOH-LBPRGKRZSA-N 0 3 282.265 2.051 20 30 CEEDHN C=C(CC)CNCc1c2c(nn1C)CCSC2 ZINC000883139217 652376297 /nfs/dbraw/zinc/37/62/97/652376297.db2.gz FJFNECTYOPPSCU-UHFFFAOYSA-N 0 3 251.399 2.265 20 30 CEEDHN COC[C@@H](NCC1(C#N)CCCCC1)[C@@H]1CCCOC1 ZINC000883235446 652410133 /nfs/dbraw/zinc/41/01/33/652410133.db2.gz CIJSFBFHMXARAV-HUUCEWRRSA-N 0 3 280.412 2.492 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](CF)C2)CC1 ZINC000883343178 652436989 /nfs/dbraw/zinc/43/69/89/652436989.db2.gz CBEKSXBCVJLYAC-ZDUSSCGKSA-N 0 3 283.391 2.028 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](CF)C2)CC1 ZINC000883342353 652437114 /nfs/dbraw/zinc/43/71/14/652437114.db2.gz UDAGRXAFCUFGJF-ZDUSSCGKSA-N 0 3 283.391 2.028 20 30 CEEDHN C[C@H](N[C@H]1CC(=O)N(CC2CC2)C1)c1ccc(C#N)cc1 ZINC000883394954 652454057 /nfs/dbraw/zinc/45/40/57/652454057.db2.gz KKVUADKEFWIYCB-LRDDRELGSA-N 0 3 283.375 2.220 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000883401439 652457222 /nfs/dbraw/zinc/45/72/22/652457222.db2.gz MTYGRHDCINSUDB-WFASDCNBSA-N 0 3 291.391 2.435 20 30 CEEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1cccc(F)c1F)C2 ZINC000884070053 652694729 /nfs/dbraw/zinc/69/47/29/652694729.db2.gz XUCZWQYDGHXBQV-VOZQYIJBSA-N 0 3 291.301 2.043 20 30 CEEDHN CC(C)C[C@@H]1CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)C1 ZINC000884133843 652722455 /nfs/dbraw/zinc/72/24/55/652722455.db2.gz MSNMWACMBSSNDP-UJEKJILKSA-N 0 3 289.423 2.020 20 30 CEEDHN CC(C)CC1(CNC(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC000884173303 652740191 /nfs/dbraw/zinc/74/01/91/652740191.db2.gz RNJOGAICQOMXEZ-XOYHFGRZSA-N 0 3 289.423 2.068 20 30 CEEDHN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884383781 652826558 /nfs/dbraw/zinc/82/65/58/652826558.db2.gz UPHPMECPULEFPB-WTMDZQPDSA-N 0 3 289.423 2.067 20 30 CEEDHN CC[C@@H]1CCC[C@H](C)N1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884418160 652842885 /nfs/dbraw/zinc/84/28/85/652842885.db2.gz ZZXGXQOZCPQKNN-GXPIHNFMSA-N 0 3 289.423 2.305 20 30 CEEDHN Cc1ccc(N2CCN(CC(C)C)CC2)nc1C#N ZINC000302717084 719332750 /nfs/dbraw/zinc/33/27/50/719332750.db2.gz NQFZOSHSBFTGFE-UHFFFAOYSA-N 0 3 258.369 2.040 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cccs2)[C@H]1CC ZINC001087491246 805572671 /nfs/dbraw/zinc/57/26/71/805572671.db2.gz MXHVBUYUMQPFMU-QWHCGFSZSA-N 0 3 276.405 2.354 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2csnc2C)[C@H]1CC ZINC001087548392 805730619 /nfs/dbraw/zinc/73/06/19/805730619.db2.gz SPALQPQXPANNSG-UONOGXRCSA-N 0 3 291.420 2.058 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2ccns2)[C@H]1CC ZINC001087589982 805756778 /nfs/dbraw/zinc/75/67/78/805756778.db2.gz IJUFGCARWAPSEP-NWDGAFQWSA-N 0 3 279.409 2.302 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccc(C)o3)C[C@@H]2C1 ZINC001087876125 805833163 /nfs/dbraw/zinc/83/31/63/805833163.db2.gz ZCMUSJDZNHILIU-CABCVRRESA-N 0 3 286.375 2.005 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@]3(C)CC=CCC3)C[C@@H]2C1 ZINC001087977234 805868980 /nfs/dbraw/zinc/86/89/80/805868980.db2.gz WJLDUTUADTZOKV-RYRKJORJSA-N 0 3 286.419 2.146 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC3(C)C)C[C@@H]2C1 ZINC001088072511 805907988 /nfs/dbraw/zinc/90/79/88/805907988.db2.gz INNUBCRNUMHEEK-OWCLPIDISA-N 0 3 288.435 2.226 20 30 CEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cocn2)C1 ZINC001088278860 806079595 /nfs/dbraw/zinc/07/95/95/806079595.db2.gz DYGAGVPYZDCQGS-LBPRGKRZSA-N 0 3 297.786 2.402 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)[C@H]1C ZINC001088843776 806083244 /nfs/dbraw/zinc/08/32/44/806083244.db2.gz QNCZSPZNYSCLRZ-TUVASFSCSA-N 0 3 262.397 2.025 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)oc2C)[C@H]1C ZINC001088464688 806268568 /nfs/dbraw/zinc/26/85/68/806268568.db2.gz KHDQCLUOPDNVEM-DOMZBBRYSA-N 0 3 274.364 2.112 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC001272014022 806268767 /nfs/dbraw/zinc/26/87/67/806268767.db2.gz VUFPWKMYSRKFRI-OLZOCXBDSA-N 0 3 256.365 2.091 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C=C3CCC3)C2)C1 ZINC001040151391 806275855 /nfs/dbraw/zinc/27/58/55/806275855.db2.gz BHCLWWLCGVKLOV-KRWDZBQOSA-N 0 3 272.392 2.044 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)[C@H]1CCCC[C@@H]1C ZINC001272092956 806508416 /nfs/dbraw/zinc/50/84/16/806508416.db2.gz LHWRTFGMBCVWRW-GJZGRUSLSA-N 0 3 264.413 2.226 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)[C@H]1C ZINC001088768243 806712202 /nfs/dbraw/zinc/71/22/02/806712202.db2.gz ORUWEELWNPHSKR-LFYQSXPISA-N 0 3 274.408 2.025 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cc[nH]c3CCC)[C@@H]2C1 ZINC001076159195 806817142 /nfs/dbraw/zinc/81/71/42/806817142.db2.gz XENXSSKORQFJCU-XJKSGUPXSA-N 0 3 287.407 2.300 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)[C@H]1CCCc2cccnc21 ZINC001266313974 802428035 /nfs/dbraw/zinc/42/80/35/802428035.db2.gz QBHXIODZDBCOAB-HNNXBMFYSA-N 0 3 287.407 2.126 20 30 CEEDHN C#CCCN(C)CCNC(=O)c1ccc(F)c2occc21 ZINC001266359941 802487860 /nfs/dbraw/zinc/48/78/60/802487860.db2.gz LBSKREKZEOWLNM-UHFFFAOYSA-N 0 3 288.322 2.257 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C2(CC=C)CCC2)CC1 ZINC001266376619 802503895 /nfs/dbraw/zinc/50/38/95/802503895.db2.gz GCAXKFHSKHQLHB-HNNXBMFYSA-N 0 3 286.419 2.337 20 30 CEEDHN C=CCN(CC)CCNC(=O)c1c(C)coc1C ZINC001266387714 802513630 /nfs/dbraw/zinc/51/36/30/802513630.db2.gz DHCKBJPKVZCORD-UHFFFAOYSA-N 0 3 250.342 2.134 20 30 CEEDHN C=CCCCCCCCN1CCN(CC(=O)OC)CC1 ZINC001209439483 802530274 /nfs/dbraw/zinc/53/02/74/802530274.db2.gz RDEWXSURZSMSSR-UHFFFAOYSA-N 0 3 282.428 2.304 20 30 CEEDHN COc1cccc([C@H](O)CN2CCC(CC#N)CC2)c1 ZINC000397305692 802607791 /nfs/dbraw/zinc/60/77/91/802607791.db2.gz QQLKWBGFHWUJTH-MRXNPFEDSA-N 0 3 274.364 2.354 20 30 CEEDHN O=C(C#CC1CC1)NC[C@@H]1CCN(Cc2ccsc2)C1 ZINC001266514267 802664378 /nfs/dbraw/zinc/66/43/78/802664378.db2.gz ORYSIABYDFRSQA-AWEZNQCLSA-N 0 3 288.416 2.100 20 30 CEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CC23CC3)CC1 ZINC001167323191 802686414 /nfs/dbraw/zinc/68/64/14/802686414.db2.gz STHQBZSQZJRIQF-GFCCVEGCSA-N 0 3 282.815 2.415 20 30 CEEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](C)c2ccccc2F)C1 ZINC001266554613 802711854 /nfs/dbraw/zinc/71/18/54/802711854.db2.gz ARFLOSXODNAYFB-KGLIPLIRSA-N 0 3 288.366 2.143 20 30 CEEDHN CC#CCN[C@H]1CCN(C(=O)c2cc(C)c(CC)s2)C1 ZINC001266565767 802722368 /nfs/dbraw/zinc/72/23/68/802722368.db2.gz NHPXJWYSOUEDAG-ZDUSSCGKSA-N 0 3 290.432 2.446 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)c1cc(CCC)on1 ZINC001266575540 802729375 /nfs/dbraw/zinc/72/93/75/802729375.db2.gz SIVWUILNUXFYMO-UHFFFAOYSA-N 0 3 291.395 2.092 20 30 CEEDHN C=CCC(C)(C)C(=O)NCCCNCc1conc1C ZINC001167363373 802737522 /nfs/dbraw/zinc/73/75/22/802737522.db2.gz VFVJEMMAHNOMGZ-UHFFFAOYSA-N 0 3 279.384 2.181 20 30 CEEDHN C=C(C)CN(CCNC(=O)[C@]1(C)C=CCC1)C1CC1 ZINC001266607230 802765266 /nfs/dbraw/zinc/76/52/66/802765266.db2.gz RRHUAYMDVDAKJC-MRXNPFEDSA-N 0 3 262.397 2.499 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)CCC(C)C)C1 ZINC001266739935 802873357 /nfs/dbraw/zinc/87/33/57/802873357.db2.gz HDBSKSHOYDJMSB-OAHLLOKOSA-N 0 3 264.413 2.274 20 30 CEEDHN C=CCCC(=O)NC[C@H]1CCCN(Cc2ccccn2)C1 ZINC001266743846 802875515 /nfs/dbraw/zinc/87/55/15/802875515.db2.gz SAJNEDGQSQJMIS-OAHLLOKOSA-N 0 3 287.407 2.376 20 30 CEEDHN C#CCCCC(=O)NC[C@H]1CCCN(C[C@@H](F)CC)C1 ZINC001266746218 802875843 /nfs/dbraw/zinc/87/58/43/802875843.db2.gz DIHJKBOTUVPXFK-CABCVRRESA-N 0 3 282.403 2.366 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)C3CCCC3)C[C@@H]21 ZINC001041886605 802911116 /nfs/dbraw/zinc/91/11/16/802911116.db2.gz ZBMUYFPICMMLHN-ZFWWWQNUSA-N 0 3 262.397 2.285 20 30 CEEDHN C#CCCCC(=O)NC[C@@H]1CCCCN1CC(=C)C ZINC001266840037 802933727 /nfs/dbraw/zinc/93/37/27/802933727.db2.gz NIJLQEAJPMJGPG-HNNXBMFYSA-N 0 3 262.397 2.337 20 30 CEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)Cc1cnc(C)o1 ZINC001266844735 802937173 /nfs/dbraw/zinc/93/71/73/802937173.db2.gz OYQFPQDZCAHFBS-AWEZNQCLSA-N 0 3 291.395 2.072 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccccc3)C[C@@H]21 ZINC001041910603 802964336 /nfs/dbraw/zinc/96/43/36/802964336.db2.gz QEVOSMJGRGILGU-HOCLYGCPSA-N 0 3 270.376 2.409 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NCCNCc1scnc1C ZINC001132302196 812819820 /nfs/dbraw/zinc/81/98/20/812819820.db2.gz NRGAWHCICXRNTL-UHFFFAOYSA-N 0 3 281.425 2.260 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CC(F)(F)C(F)F)CC[C@H]1C ZINC001132309936 812828265 /nfs/dbraw/zinc/82/82/65/812828265.db2.gz GSIFTYDATMACQQ-NXEZZACHSA-N 0 3 296.308 2.432 20 30 CEEDHN CC#CCN[C@@H](C)CNC(=O)C[C@@H]1CCc2ccccc2C1 ZINC001266990755 803040613 /nfs/dbraw/zinc/04/06/13/803040613.db2.gz VTEUQARNBIIRKB-JKSUJKDBSA-N 0 3 298.430 2.299 20 30 CEEDHN CC#CCN[C@H](C)CNC(=O)c1cccc(C)c1C ZINC001266989796 803041469 /nfs/dbraw/zinc/04/14/69/803041469.db2.gz QYBHYFQSCLVXNY-CYBMUJFWSA-N 0 3 258.365 2.035 20 30 CEEDHN CC#CCN[C@@H](C)CNC(=O)[C@@H](C)c1ccccc1C ZINC001266994561 803044178 /nfs/dbraw/zinc/04/41/78/803044178.db2.gz AIXIESOQFIGHDF-GJZGRUSLSA-N 0 3 272.392 2.216 20 30 CEEDHN C=C[C@H](CC)CC(=O)N1CC[C@H](NCc2cncs2)C1 ZINC001267016765 803062428 /nfs/dbraw/zinc/06/24/28/803062428.db2.gz LLBXXMJRUWPENX-OLZOCXBDSA-N 0 3 293.436 2.436 20 30 CEEDHN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1ocnc1C ZINC001133885053 813169523 /nfs/dbraw/zinc/16/95/23/813169523.db2.gz WPOGYZWVBTUNAS-RYUDHWBXSA-N 0 3 279.384 2.322 20 30 CEEDHN C=CCCC(=O)NCC[C@@H](C)N[C@@H](C)c1cnc(C)cn1 ZINC001267123502 803146137 /nfs/dbraw/zinc/14/61/37/803146137.db2.gz WTRXKFHROVRZIC-OCCSQVGLSA-N 0 3 290.411 2.297 20 30 CEEDHN C#CCCN(C)CCNC(=O)c1cccc(Cl)c1C ZINC001267198339 803224118 /nfs/dbraw/zinc/22/41/18/803224118.db2.gz MHHMAWKWSMQRLL-UHFFFAOYSA-N 0 3 278.783 2.333 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)CCOc1ccc(F)cc1 ZINC001267214413 803239053 /nfs/dbraw/zinc/23/90/53/803239053.db2.gz WXCXZZBHCJZTAZ-UHFFFAOYSA-N 0 3 294.370 2.219 20 30 CEEDHN C=CCN(CC)CCNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001267244804 803286104 /nfs/dbraw/zinc/28/61/04/803286104.db2.gz QYQYXLGMAMVBBB-UHFFFAOYSA-N 0 3 286.379 2.109 20 30 CEEDHN C=CCN(CC)CCNC(=O)[C@H](OC)C1CCCCC1 ZINC001267258910 803300680 /nfs/dbraw/zinc/30/06/80/803300680.db2.gz JDYPXIKXHCDOTC-OAHLLOKOSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001267270893 803316905 /nfs/dbraw/zinc/31/69/05/803316905.db2.gz NXYKNUCXEMKVLQ-STQMWFEESA-N 0 3 252.402 2.435 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001267296145 803341412 /nfs/dbraw/zinc/34/14/12/803341412.db2.gz HNKHYHCMVYAWNC-KGLIPLIRSA-N 0 3 264.413 2.130 20 30 CEEDHN C#CCN(CCC)CCNC(=O)[C@@H](F)Cc1ccccc1 ZINC001267320564 803365383 /nfs/dbraw/zinc/36/53/83/803365383.db2.gz OKXWJFQCTWDICN-INIZCTEOSA-N 0 3 290.382 2.029 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)C3(C4CC4)CC3)C[C@H]21 ZINC001042106658 803409785 /nfs/dbraw/zinc/40/97/85/803409785.db2.gz HDAXUCWFZIUNBX-GOEBONIOSA-N 0 3 286.419 2.123 20 30 CEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)C3=CCCC3)C(C)(C)[C@@H]21 ZINC001087278892 803501701 /nfs/dbraw/zinc/50/17/01/803501701.db2.gz OAFAOHXSZOULSO-BZUAXINKSA-N 0 3 286.419 2.335 20 30 CEEDHN C[C@H](CN(C)C(=O)C#CC1CC1)NCc1ccccc1F ZINC001283609021 803509938 /nfs/dbraw/zinc/50/99/38/803509938.db2.gz WQUWJZYJTHZHDM-CYBMUJFWSA-N 0 3 288.366 2.176 20 30 CEEDHN C=CCC[N@H+]1CC[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001267508009 803516767 /nfs/dbraw/zinc/51/67/67/803516767.db2.gz IRFJQDCFGGSDRF-AWEZNQCLSA-N 0 3 288.391 2.410 20 30 CEEDHN C=CCC[N@@H+]1CC[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001267508009 803516771 /nfs/dbraw/zinc/51/67/71/803516771.db2.gz IRFJQDCFGGSDRF-AWEZNQCLSA-N 0 3 288.391 2.410 20 30 CEEDHN C=CCN[C@H](CNC(=O)c1cncnc1C)c1ccccc1 ZINC001267516741 803520384 /nfs/dbraw/zinc/52/03/84/803520384.db2.gz HNMHORPVWTUPJN-MRXNPFEDSA-N 0 3 296.374 2.032 20 30 CEEDHN C#CCCN[C@H](CNC(=O)c1cc[nH]c1C)c1ccccc1 ZINC001267517484 803521070 /nfs/dbraw/zinc/52/10/70/803521070.db2.gz PRQVWTSSNIDPMR-QGZVFWFLSA-N 0 3 295.386 2.407 20 30 CEEDHN C=CCN[C@H](CNC(=O)C1CCC1)c1ccccc1 ZINC001267518453 803522303 /nfs/dbraw/zinc/52/23/03/803522303.db2.gz XPLXBNVXHIEQBW-OAHLLOKOSA-N 0 3 258.365 2.420 20 30 CEEDHN C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCOC ZINC001267530758 803530712 /nfs/dbraw/zinc/53/07/12/803530712.db2.gz ZNBFIHFSXVDIQT-GASCZTMLSA-N 0 3 280.412 2.054 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(CC)CC3)C[C@@H]21 ZINC001042220759 803556746 /nfs/dbraw/zinc/55/67/46/803556746.db2.gz FJKNJTSRQNQFEH-KBPBESRZSA-N 0 3 262.397 2.285 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)/C=C\c2ccco2)C1 ZINC001267609908 803613868 /nfs/dbraw/zinc/61/38/68/803613868.db2.gz ZOAZYRLXCWNBSD-WBTMPAOCSA-N 0 3 274.364 2.450 20 30 CEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(COC)CC1 ZINC001267709735 803669459 /nfs/dbraw/zinc/66/94/59/803669459.db2.gz BDWYYBIWTVBKQN-KKUMJFAQSA-N 0 3 292.423 2.053 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@H](OCC)C(=C)C)C1 ZINC001267743048 803696333 /nfs/dbraw/zinc/69/63/33/803696333.db2.gz JUEWYYDDOZEWST-CABCVRRESA-N 0 3 280.412 2.124 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](C)C(C)(C)C)C1 ZINC001267768027 803720452 /nfs/dbraw/zinc/72/04/52/803720452.db2.gz RWXFVDSOXVBKDB-UONOGXRCSA-N 0 3 264.413 2.225 20 30 CEEDHN C=CCN1CC[C@H](N(C)C(=O)CCCc2ccccn2)C1 ZINC001267776120 803728629 /nfs/dbraw/zinc/72/86/29/803728629.db2.gz FJCIQBBBDVONFU-INIZCTEOSA-N 0 3 287.407 2.123 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C[C@H]2CCCOC2)C1 ZINC001267789964 803734224 /nfs/dbraw/zinc/73/42/24/803734224.db2.gz LIVFANQQTIDYEK-HZPDHXFCSA-N 0 3 294.439 2.302 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C[C@@H](C)C2CC2)C1 ZINC001267794449 803738247 /nfs/dbraw/zinc/73/82/47/803738247.db2.gz OUDJJMXGWSJSMJ-GDBMZVCRSA-N 0 3 276.424 2.369 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)Cc2ccc[nH]2)C1 ZINC001267795155 803738576 /nfs/dbraw/zinc/73/85/76/803738576.db2.gz WEYXVSLZGCWKGF-HNNXBMFYSA-N 0 3 275.396 2.056 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)C(C)(C)C)C[C@@H]21 ZINC001042324618 803830657 /nfs/dbraw/zinc/83/06/57/803830657.db2.gz XJXQHDOLJQQHKC-STQMWFEESA-N 0 3 250.386 2.141 20 30 CEEDHN CCC(=O)N1CCC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001027257404 804003124 /nfs/dbraw/zinc/00/31/24/804003124.db2.gz VODXAGHSBHOICR-MRXNPFEDSA-N 0 3 285.391 2.391 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC001027275357 804015514 /nfs/dbraw/zinc/01/55/14/804015514.db2.gz OUMZYLNUSFCIPR-HNNXBMFYSA-N 0 3 262.397 2.123 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC001027278965 804018500 /nfs/dbraw/zinc/01/85/00/804018500.db2.gz LIGAAMVTDSHRKR-HNNXBMFYSA-N 0 3 262.397 2.123 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C(C)=C2CCC2)C1 ZINC001027401881 804064367 /nfs/dbraw/zinc/06/43/67/804064367.db2.gz BWHDIUMXEVVVOP-OAHLLOKOSA-N 0 3 260.381 2.043 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2cc(C)ccc2C)C1 ZINC001027555010 804120176 /nfs/dbraw/zinc/12/01/76/804120176.db2.gz AYWDZNAATWLWAV-SFHVURJKSA-N 0 3 298.430 2.402 20 30 CEEDHN C=C(Cl)CNC1(CNC(=O)C(F)F)CCCC1 ZINC001268030968 804126452 /nfs/dbraw/zinc/12/64/52/804126452.db2.gz NNCKEDDONQBDEM-UHFFFAOYSA-N 0 3 266.719 2.023 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001027641393 804171226 /nfs/dbraw/zinc/17/12/26/804171226.db2.gz JHMZXYDXRKKKEG-HNNXBMFYSA-N 0 3 299.418 2.063 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C)c(CC)o2)C1 ZINC001027645638 804174817 /nfs/dbraw/zinc/17/48/17/804174817.db2.gz JVIUZLGBYQOHHP-CQSZACIVSA-N 0 3 288.391 2.320 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1coc(C)c1 ZINC001027844313 804296168 /nfs/dbraw/zinc/29/61/68/804296168.db2.gz QBVWDNDEVQALSM-AWEZNQCLSA-N 0 3 262.353 2.358 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCC1(F)F ZINC001027959706 804362346 /nfs/dbraw/zinc/36/23/46/804362346.db2.gz NPKZVAZAGLAZRJ-VXGBXAGGSA-N 0 3 272.339 2.188 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1[nH]nc2ccc(C)cc21 ZINC001027997230 804388034 /nfs/dbraw/zinc/38/80/34/804388034.db2.gz KGKCQAPYICBGHV-CYBMUJFWSA-N 0 3 298.390 2.252 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001028043939 804409417 /nfs/dbraw/zinc/40/94/17/804409417.db2.gz BFKBQACQUNNSNV-OAHLLOKOSA-N 0 3 287.407 2.469 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC(F)(F)C1)C2 ZINC001098195965 804428549 /nfs/dbraw/zinc/42/85/49/804428549.db2.gz GFEJNUKNDHGSPT-UPJWGTAASA-N 0 3 296.361 2.167 20 30 CEEDHN CC[C@@H](C)CC(=O)NCCNCc1ccc(C#N)s1 ZINC001126307372 804428909 /nfs/dbraw/zinc/42/89/09/804428909.db2.gz SJKANIZATMWRLK-LLVKDONJSA-N 0 3 279.409 2.262 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001028077599 804434864 /nfs/dbraw/zinc/43/48/64/804434864.db2.gz UTQUKDMRBIBGES-QWHCGFSZSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC001028100489 804457486 /nfs/dbraw/zinc/45/74/86/804457486.db2.gz FSBWKWGGMSVNFA-JKSUJKDBSA-N 0 3 299.418 2.268 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cccc(F)c1F ZINC001028104329 804461189 /nfs/dbraw/zinc/46/11/89/804461189.db2.gz AXDYCKAKJKDURE-LBPRGKRZSA-N 0 3 292.329 2.182 20 30 CEEDHN C=CCCN1CCC[C@H]1CNC(=O)c1ocnc1C(F)F ZINC001028136959 804488783 /nfs/dbraw/zinc/48/87/83/804488783.db2.gz CGHSMLSOBKEUTL-JTQLQIEISA-N 0 3 299.321 2.383 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc(OCC)c1 ZINC001028168797 804511750 /nfs/dbraw/zinc/51/17/50/804511750.db2.gz LIKXWBJSDPINKY-HNNXBMFYSA-N 0 3 288.391 2.466 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)c1ccc2nc(C)oc2c1 ZINC001268241417 804568340 /nfs/dbraw/zinc/56/83/40/804568340.db2.gz NCSJHESMYZVERH-UHFFFAOYSA-N 0 3 299.374 2.163 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)[C@]1(C)CCC[C@H]1C ZINC001268249529 804572314 /nfs/dbraw/zinc/57/23/14/804572314.db2.gz VNCIGIRCQUNTFS-GDBMZVCRSA-N 0 3 264.413 2.226 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCN(C)CC=C(C)C ZINC001268253547 804576260 /nfs/dbraw/zinc/57/62/60/804576260.db2.gz VWSWNWUKPYSJLF-HOTGVXAUSA-N 0 3 294.439 2.324 20 30 CEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1CC(F)(F)C1 ZINC001268359786 804629863 /nfs/dbraw/zinc/62/98/63/804629863.db2.gz LWJKXNZOKIQKII-SECBINFHSA-N 0 3 280.746 2.269 20 30 CEEDHN C#CCNCCN(CC)C(=O)c1ccccc1C(C)C ZINC001268456386 804700327 /nfs/dbraw/zinc/70/03/27/804700327.db2.gz IJLHHCVVKIFXFH-UHFFFAOYSA-N 0 3 272.392 2.495 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c[nH]cc1C ZINC001028312816 804710515 /nfs/dbraw/zinc/71/05/15/804710515.db2.gz QYJFKFPMFWMEHV-CYBMUJFWSA-N 0 3 261.369 2.093 20 30 CEEDHN C#CCNC/C=C/CNC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC001268571624 804842138 /nfs/dbraw/zinc/84/21/38/804842138.db2.gz CTOGFACVSFLXJW-AATRIKPKSA-N 0 3 295.386 2.294 20 30 CEEDHN C#CCNC/C=C/CNC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001268575741 804843923 /nfs/dbraw/zinc/84/39/23/804843923.db2.gz QDXQUHHYVSSRLZ-DOOVEFGSSA-N 0 3 274.408 2.098 20 30 CEEDHN C#CCNC/C=C/CNC(=O)C[C@H](C)c1cccc(F)c1 ZINC001268591109 804859878 /nfs/dbraw/zinc/85/98/78/804859878.db2.gz QAUUCDVNDPGQFX-NNTXTVRGSA-N 0 3 288.366 2.215 20 30 CEEDHN C#CCNC/C=C\CNC(=O)c1ccc(C(C)C)nc1CC ZINC001268592605 804861774 /nfs/dbraw/zinc/86/17/74/804861774.db2.gz IGBHRGVDEVKARA-FPLPWBNLSA-N 0 3 299.418 2.276 20 30 CEEDHN CC[C@H](F)CN1C[C@@H]2CN(C(=O)C#CC(C)C)C[C@]2(C)C1 ZINC001101229498 804881356 /nfs/dbraw/zinc/88/13/56/804881356.db2.gz CGUGKRYFMZNKJW-VYDXJSESSA-N 0 3 294.414 2.174 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2cc(F)ccc2F)C1 ZINC001028596572 804887593 /nfs/dbraw/zinc/88/75/93/804887593.db2.gz ZUGYJVISVNPDRB-GFCCVEGCSA-N 0 3 292.329 2.040 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C3CC(C)C3)[C@@H]2C1 ZINC001075674098 804889295 /nfs/dbraw/zinc/88/92/95/804889295.db2.gz OFRANTHRSSNNCP-OOJKYFRXSA-N 0 3 262.397 2.141 20 30 CEEDHN CC#CCNC/C=C/CNC(=O)[C@@H](C)Cc1ccccc1 ZINC001268628155 804895376 /nfs/dbraw/zinc/89/53/76/804895376.db2.gz LVTXOZOEWBJORL-FDMDGMSGSA-N 0 3 284.403 2.151 20 30 CEEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)CCC1CC1 ZINC001268683179 804927386 /nfs/dbraw/zinc/92/73/86/804927386.db2.gz PIMJRFHDZPTLJZ-HNNXBMFYSA-N 0 3 284.403 2.323 20 30 CEEDHN CCCCCC(=O)N1C[C@H](NCC#CCOC)C(C)(C)C1 ZINC001284261331 804950765 /nfs/dbraw/zinc/95/07/65/804950765.db2.gz WJLGCDAAPIFBBV-HNNXBMFYSA-N 0 3 294.439 2.043 20 30 CEEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001268751557 804958257 /nfs/dbraw/zinc/95/82/57/804958257.db2.gz UELOIMBUDQOKLQ-FPMFFAJLSA-N 0 3 250.386 2.045 20 30 CEEDHN C=CCN(C)C[C@H](C)NC(=O)[C@H]1CCc2ccccc2O1 ZINC001268753872 804959464 /nfs/dbraw/zinc/95/94/64/804959464.db2.gz YPDNCNDZLKROQZ-XJKSGUPXSA-N 0 3 288.391 2.003 20 30 CEEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H](CC)SC ZINC001268786326 804971532 /nfs/dbraw/zinc/97/15/32/804971532.db2.gz RVHPYSFUEYOZSD-LLVKDONJSA-N 0 3 278.849 2.319 20 30 CEEDHN C=C(C)CCC(=O)NCC1CN(CC[C@@H](C)F)C1 ZINC001268833578 804983324 /nfs/dbraw/zinc/98/33/24/804983324.db2.gz UFNCYGPRYIKBFT-GFCCVEGCSA-N 0 3 256.365 2.139 20 30 CEEDHN C=CCOCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H](C)CC(C)C ZINC001268929813 805003418 /nfs/dbraw/zinc/00/34/18/805003418.db2.gz MPJYDTYCDSSZQU-JYJNAYRXSA-N 0 3 294.439 2.156 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2cc(C)sc2C)C1 ZINC001028668971 805061871 /nfs/dbraw/zinc/06/18/71/805061871.db2.gz MOENLTCTVCYXTC-CYBMUJFWSA-N 0 3 276.405 2.050 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)CC(C)(C)C=C ZINC001269240090 805099203 /nfs/dbraw/zinc/09/92/03/805099203.db2.gz GYGGKPKBWKUBEC-CYBMUJFWSA-N 0 3 250.386 2.355 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(-c3ccco3)o2)C1 ZINC001028681042 805109715 /nfs/dbraw/zinc/10/97/15/805109715.db2.gz NTOGDTPJCJHVMI-CYBMUJFWSA-N 0 3 298.342 2.225 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)C2CCC3(CC3)CC2)C1 ZINC001028694228 805119854 /nfs/dbraw/zinc/11/98/54/805119854.db2.gz JNBIBZGENGODNO-HNNXBMFYSA-N 0 3 288.435 2.418 20 30 CEEDHN C#CCCCC(=O)N(CC)[C@@H]1CCN(CC(=C)C)C1 ZINC001269324353 805130385 /nfs/dbraw/zinc/13/03/85/805130385.db2.gz JYDCYQPIYRZKGL-OAHLLOKOSA-N 0 3 262.397 2.289 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](CC)SC)[C@@H]2C1 ZINC001075694898 805166035 /nfs/dbraw/zinc/16/60/35/805166035.db2.gz KIWXYUMNXWXZFA-MJBXVCDLSA-N 0 3 282.453 2.237 20 30 CEEDHN C=C1CC(C)(C(=O)NCC2(NCc3cnccc3C)CC2)C1 ZINC001269489481 805179265 /nfs/dbraw/zinc/17/92/65/805179265.db2.gz RSNYKPBSPMQZGE-UHFFFAOYSA-N 0 3 299.418 2.485 20 30 CEEDHN CC#CCNC1(CNC(=O)c2ccc3cc[nH]c3c2)CC1 ZINC001269496909 805180258 /nfs/dbraw/zinc/18/02/58/805180258.db2.gz FQNQQPRPLBETHA-UHFFFAOYSA-N 0 3 281.359 2.043 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)C3(CC=C)CCC3)C2)C1 ZINC001269735446 805241109 /nfs/dbraw/zinc/24/11/09/805241109.db2.gz AENPGOPFPRTVFI-KRWDZBQOSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001028778749 805243602 /nfs/dbraw/zinc/24/36/02/805243602.db2.gz KOAIQFYELNFORG-CYBMUJFWSA-N 0 3 290.794 2.333 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc3occc3s2)C1 ZINC001028797182 805263115 /nfs/dbraw/zinc/26/31/15/805263115.db2.gz BJSYNUBFNRZXKX-NSHDSACASA-N 0 3 288.372 2.179 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2c(C)cccc2C)C1 ZINC001028823537 805281524 /nfs/dbraw/zinc/28/15/24/805281524.db2.gz QPOHFAMIGKQTOB-INIZCTEOSA-N 0 3 284.403 2.378 20 30 CEEDHN C=CCOC(=O)[C@@H](Nc1cccc(CN)n1)[C@@H](C)CC ZINC001167957775 805283649 /nfs/dbraw/zinc/28/36/49/805283649.db2.gz PSWHPXZVXADWJG-FZMZJTMJSA-N 0 3 277.368 2.096 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001028853547 805310575 /nfs/dbraw/zinc/31/05/75/805310575.db2.gz VDVGFGAQOKENNN-SYJJWHGVSA-N 0 3 288.435 2.274 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2csc(C)c2)C1 ZINC001028869848 805325124 /nfs/dbraw/zinc/32/51/24/805325124.db2.gz GYOVCYWHJROQBT-CYBMUJFWSA-N 0 3 276.405 2.132 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccoc2C(C)C)C1 ZINC001029012302 805432835 /nfs/dbraw/zinc/43/28/35/805432835.db2.gz KTEFSRUYCCTUGY-CQSZACIVSA-N 0 3 288.391 2.478 20 30 CEEDHN C#CCN(CC1CC1)C[C@@H]1COc2ccccc2O1 ZINC001119248732 815079063 /nfs/dbraw/zinc/07/90/63/815079063.db2.gz OOOKDAXNPCAIII-CQSZACIVSA-N 0 3 257.333 2.172 20 30 CEEDHN C#CC1(NCc2ccc([S@@](C)=O)cc2)CCCC1 ZINC001119289719 815084379 /nfs/dbraw/zinc/08/43/79/815084379.db2.gz KQXAVHCUCPBKFD-GOSISDBHSA-N 0 3 261.390 2.460 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(CCCF)[C@@H]2C)C1 ZINC001088840525 807086232 /nfs/dbraw/zinc/08/62/32/807086232.db2.gz MOPHUDODYDTWSU-OLZOCXBDSA-N 0 3 268.376 2.281 20 30 CEEDHN COc1cccc(NC(=O)[C@H](N)CCCCC#N)c1OC ZINC001119382774 815102609 /nfs/dbraw/zinc/10/26/09/815102609.db2.gz CKPPXSJYLJEMTK-LLVKDONJSA-N 0 3 291.351 2.054 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2cc(F)ccc2F)C1 ZINC001046378188 807574050 /nfs/dbraw/zinc/57/40/50/807574050.db2.gz LHDNHGMEVOKLJK-INIZCTEOSA-N 0 3 292.329 2.182 20 30 CEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)CN1CCO ZINC001099213293 807704913 /nfs/dbraw/zinc/70/49/13/807704913.db2.gz BUICTPPXWXAKDL-WMLDXEAASA-N 0 3 296.455 2.188 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CC23CCC3)CC(C)(C)C1 ZINC001089508632 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C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H](C)CC)c1 ZINC001032617246 808734866 /nfs/dbraw/zinc/73/48/66/808734866.db2.gz RUPJCKLUJKQRQL-JQFCIGGWSA-N 0 3 297.402 2.008 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)(F)F ZINC001032632480 808744307 /nfs/dbraw/zinc/74/43/07/808744307.db2.gz CDPRDIVJPXUTJF-WOPDTQHZSA-N 0 3 272.339 2.139 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1cccnc1 ZINC001032663230 808779842 /nfs/dbraw/zinc/77/98/42/808779842.db2.gz DGFVDBMJQGRGFE-PVAVHDDUSA-N 0 3 299.418 2.436 20 30 CEEDHN C=CC[C@@H]1CCCN(CC(=O)NCCOCCC(C)C)C1 ZINC001171840214 815245067 /nfs/dbraw/zinc/24/50/67/815245067.db2.gz BSGVRPIAWHVQAX-MRXNPFEDSA-N 0 3 296.455 2.453 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc[nH]2)C12CCC2 ZINC001078552961 808912094 /nfs/dbraw/zinc/91/20/94/808912094.db2.gz BKCUXGRBKUJIRV-QWHCGFSZSA-N 0 3 293.798 2.398 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001032811383 808923019 /nfs/dbraw/zinc/92/30/19/808923019.db2.gz ZCHOXAJNGHPKRA-DPNXGZFNSA-N 0 3 286.419 2.140 20 30 CEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2cnco2)C12CCC2 ZINC001078690036 808938210 /nfs/dbraw/zinc/93/82/10/808938210.db2.gz GWHQWOXMCGLZKV-NEPJUHHUSA-N 0 3 295.770 2.058 20 30 CEEDHN CC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000131778256 808968925 /nfs/dbraw/zinc/96/89/25/808968925.db2.gz KWXLKZVCONZFCR-GWCFXTLKSA-N 0 3 274.320 2.389 20 30 CEEDHN CC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000131777825 808968965 /nfs/dbraw/zinc/96/89/65/808968965.db2.gz KWXLKZVCONZFCR-GXFFZTMASA-N 0 3 274.320 2.389 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)C(C)(CC)CC)C2)CC1 ZINC001050760025 809016324 /nfs/dbraw/zinc/01/63/24/809016324.db2.gz CTSOFXCEYBPOPX-UHFFFAOYSA-N 0 3 276.424 2.370 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001032842371 809060057 /nfs/dbraw/zinc/06/00/57/809060057.db2.gz SILVTAPMMRCMEC-NRSFXHEJSA-N 0 3 296.414 2.339 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CCC2(F)F)C1 ZINC001033184098 809227287 /nfs/dbraw/zinc/22/72/87/809227287.db2.gz ZCSDFFKTTBFGTR-NWDGAFQWSA-N 0 3 272.339 2.141 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001033262651 809250284 /nfs/dbraw/zinc/25/02/84/809250284.db2.gz RFEFZUYPJWQVDH-INMHGKMJSA-N 0 3 292.423 2.054 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c(C)cc(C)nc2C)C1 ZINC001033281307 809256749 /nfs/dbraw/zinc/25/67/49/809256749.db2.gz XJIYIGQIHJQVQF-MRXNPFEDSA-N 0 3 299.418 2.176 20 30 CEEDHN C#Cc1ccc(C(=O)N(C)[C@H]2CCN(CC(=C)C)C2)cc1 ZINC001033319225 809266463 /nfs/dbraw/zinc/26/64/63/809266463.db2.gz RINCCRKUUVOLJB-KRWDZBQOSA-N 0 3 282.387 2.390 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033398318 809288625 /nfs/dbraw/zinc/28/86/25/809288625.db2.gz IOCNFOGAXAMIBX-HUUCEWRRSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc[nH]c2C2CCC2)C1 ZINC001033422676 809299662 /nfs/dbraw/zinc/29/96/62/809299662.db2.gz IBSVYIVUJNWNQC-HNNXBMFYSA-N 0 3 299.418 2.452 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001033444224 809302954 /nfs/dbraw/zinc/30/29/54/809302954.db2.gz QLPZBNSXDNWMQH-IXDOHACOSA-N 0 3 299.418 2.294 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC001033576051 809343594 /nfs/dbraw/zinc/34/35/94/809343594.db2.gz TWUXINQSTSZZQV-ZBFHGGJFSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(C)cc(C)c2)C1 ZINC001033618349 809363160 /nfs/dbraw/zinc/36/31/60/809363160.db2.gz VUADOIZGDFGUDY-KRWDZBQOSA-N 0 3 284.403 2.473 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)C2CCCC2)C1 ZINC001033728513 809396545 /nfs/dbraw/zinc/39/65/45/809396545.db2.gz TWYUZPBFUQRSQF-HNNXBMFYSA-N 0 3 262.397 2.123 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2ccncc2C)CC1 ZINC001005342093 809405495 /nfs/dbraw/zinc/40/54/95/809405495.db2.gz DMCVWJVTJCKWBI-UHFFFAOYSA-N 0 3 273.380 2.112 20 30 CEEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2onc(C)c2C)C1 ZINC001033870707 809439997 /nfs/dbraw/zinc/43/99/97/809439997.db2.gz JBJXMZQHXKFVAD-AWEZNQCLSA-N 0 3 291.395 2.404 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2CCC2(C)C)C1 ZINC001033925108 809451527 /nfs/dbraw/zinc/45/15/27/809451527.db2.gz IFFPNKZTYWSVGI-HUUCEWRRSA-N 0 3 276.424 2.369 20 30 CEEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2conc2CC)C1 ZINC001033948303 809459884 /nfs/dbraw/zinc/45/98/84/809459884.db2.gz XOVBDLOQCFAVAC-ZDUSSCGKSA-N 0 3 291.395 2.350 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(C)nc2C)C1 ZINC001034048330 809488259 /nfs/dbraw/zinc/48/82/59/809488259.db2.gz GGTJANDPLBGNFE-MRXNPFEDSA-N 0 3 299.418 2.258 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccncc2)C1 ZINC001034074873 809505714 /nfs/dbraw/zinc/50/57/14/809505714.db2.gz ACRAASUJYZEAAE-HNNXBMFYSA-N 0 3 273.380 2.242 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccoc2)C1 ZINC001034101011 809512666 /nfs/dbraw/zinc/51/26/66/809512666.db2.gz JVTBOWRPNKONIU-CQSZACIVSA-N 0 3 262.353 2.440 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccnc(F)c2)C1 ZINC001034127937 809525183 /nfs/dbraw/zinc/52/51/83/809525183.db2.gz PAJZEVWTGMEKDF-CQSZACIVSA-N 0 3 291.370 2.381 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(F)cn2)C1 ZINC001034174592 809537188 /nfs/dbraw/zinc/53/71/88/809537188.db2.gz UPBUBZSGJLCCSM-AWEZNQCLSA-N 0 3 291.370 2.381 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccnn2CC)C1 ZINC001034177173 809544558 /nfs/dbraw/zinc/54/45/58/809544558.db2.gz GEVRPDCZRXSHFL-AWEZNQCLSA-N 0 3 290.411 2.063 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccncc2C)C1 ZINC001034201420 809551952 /nfs/dbraw/zinc/55/19/52/809551952.db2.gz KBGJRICJJUCDTK-AWEZNQCLSA-N 0 3 273.380 2.160 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)C2C=CC=CC=C2)C1 ZINC001034237335 809561026 /nfs/dbraw/zinc/56/10/26/809561026.db2.gz UTCPPAHATTVDOP-MRXNPFEDSA-N 0 3 272.392 2.442 20 30 CEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001034272701 809569732 /nfs/dbraw/zinc/56/97/32/809569732.db2.gz LRCWKIONMFWXPJ-AWEZNQCLSA-N 0 3 288.391 2.450 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC001034297279 809574282 /nfs/dbraw/zinc/57/42/82/809574282.db2.gz ZBDOQCDIZMFKRT-CYBMUJFWSA-N 0 3 295.814 2.449 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@]2(C)CCCOC2)C1 ZINC001034468985 809616109 /nfs/dbraw/zinc/61/61/09/809616109.db2.gz UKWQYZGDACPAID-NVXWUHKLSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)C2CCOCC2)C1 ZINC001034552958 809631362 /nfs/dbraw/zinc/63/13/62/809631362.db2.gz HRKCZRCXUOIFJX-HOCLYGCPSA-N 0 3 294.439 2.206 20 30 CEEDHN CCCCCCCNC(=O)[C@]1(COC)CCCCN1 ZINC000705858663 809792424 /nfs/dbraw/zinc/79/24/24/809792424.db2.gz AVRYAWMRBBEWOG-OAHLLOKOSA-N 0 3 270.417 2.232 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1CC=CC1)CC2 ZINC001035674219 809801117 /nfs/dbraw/zinc/80/11/17/809801117.db2.gz QPVKGVWCMCFHEW-UHFFFAOYSA-N 0 3 274.408 2.453 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H](C)O1)CC2 ZINC001035801227 809819396 /nfs/dbraw/zinc/81/93/96/809819396.db2.gz QDLAEOIRIZNHJA-HUUCEWRRSA-N 0 3 292.423 2.054 20 30 CEEDHN N#CCCN(C1CCCC1)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172174823 815329923 /nfs/dbraw/zinc/32/99/23/815329923.db2.gz BDSFJMGHPJDMCC-HUUCEWRRSA-N 0 3 275.396 2.298 20 30 CEEDHN C#CCNC1(CNC(=O)[C@@H]2CCCC(F)(F)C2)CCC1 ZINC001273154415 810054656 /nfs/dbraw/zinc/05/46/56/810054656.db2.gz NOSRPSDBTQMNRG-GFCCVEGCSA-N 0 3 284.350 2.074 20 30 CEEDHN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1[nH]c(C)cc1C ZINC001273181902 810099261 /nfs/dbraw/zinc/09/92/61/810099261.db2.gz MTKKEUORJIUMPZ-GOSISDBHSA-N 0 3 299.418 2.222 20 30 CEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1ccnc(C)c1)CC2 ZINC001273188260 810109123 /nfs/dbraw/zinc/10/91/23/810109123.db2.gz LYUMXLQTKPYSQE-MRXNPFEDSA-N 0 3 299.418 2.294 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccoc2CC)C1 ZINC001079637231 810227388 /nfs/dbraw/zinc/22/73/88/810227388.db2.gz LFQPPBVDQGGYFN-TZMCWYRMSA-N 0 3 276.380 2.468 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001079715092 810232212 /nfs/dbraw/zinc/23/22/12/810232212.db2.gz QTDKOORTRKAVPI-QXSJWSMHSA-N 0 3 294.439 2.060 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001079953685 810238693 /nfs/dbraw/zinc/23/86/93/810238693.db2.gz HYLMXKCUBWYTGZ-QLFBSQMISA-N 0 3 274.408 2.027 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001014910346 810244209 /nfs/dbraw/zinc/24/42/09/810244209.db2.gz PVDYLDGAPSNKAF-HUUCEWRRSA-N 0 3 262.397 2.499 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(C)CCC2)C1 ZINC001080266069 810259984 /nfs/dbraw/zinc/25/99/84/810259984.db2.gz OUUYACPOMNUMCC-CHWSQXEVSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001015230877 810269795 /nfs/dbraw/zinc/26/97/95/810269795.db2.gz ZTXQRHVAGMEANW-GFCCVEGCSA-N 0 3 291.395 2.352 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001080316964 810270709 /nfs/dbraw/zinc/27/07/09/810270709.db2.gz GJJUBVDASXSCNL-TZMCWYRMSA-N 0 3 264.413 2.435 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001080836537 810310394 /nfs/dbraw/zinc/31/03/94/810310394.db2.gz MRENFXLYVZYTBS-UKRRQHHQSA-N 0 3 258.365 2.231 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)CCCC#CC ZINC001164263141 810334620 /nfs/dbraw/zinc/33/46/20/810334620.db2.gz YOTXCHNMCWIOBW-UHFFFAOYSA-N 0 3 256.777 2.028 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001015870299 810366689 /nfs/dbraw/zinc/36/66/89/810366689.db2.gz BJQCXZPDCQLINY-INIZCTEOSA-N 0 3 293.370 2.062 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001015872266 810367464 /nfs/dbraw/zinc/36/74/64/810367464.db2.gz FRKPSCIDNQTXTK-CQSZACIVSA-N 0 3 290.794 2.476 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc3nccnc32)C1 ZINC001015896831 810368776 /nfs/dbraw/zinc/36/87/76/810368776.db2.gz HUUDLDFHTPWOFF-CYBMUJFWSA-N 0 3 296.374 2.010 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc3ccncc32)C1 ZINC001015933493 810372238 /nfs/dbraw/zinc/37/22/38/810372238.db2.gz YCGVLURBONFWQH-HNNXBMFYSA-N 0 3 293.370 2.062 20 30 CEEDHN C=CCN1CCN([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172308049 815365253 /nfs/dbraw/zinc/36/52/53/815365253.db2.gz STJBQKCBZHGJKF-HNNXBMFYSA-N 0 3 269.392 2.293 20 30 CEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)C(F)=C(C)C)[C@H]2C1 ZINC001083048065 810422538 /nfs/dbraw/zinc/42/25/38/810422538.db2.gz GSMXFQOSJWBADH-UONOGXRCSA-N 0 3 296.386 2.128 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001016367677 810429421 /nfs/dbraw/zinc/42/94/21/810429421.db2.gz QJPZBPUVXIKLRW-HNNXBMFYSA-N 0 3 296.414 2.311 20 30 CEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC001016388438 810434063 /nfs/dbraw/zinc/43/40/63/810434063.db2.gz OMDFOIVLJLGBRU-LBPRGKRZSA-N 0 3 293.436 2.476 20 30 CEEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)C(C)(F)F)[C@@H]2C1 ZINC001084150048 810436273 /nfs/dbraw/zinc/43/62/73/810436273.db2.gz GPXRKTLOVWRRAN-VXGBXAGGSA-N 0 3 272.339 2.141 20 30 CEEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3ccco3)[C@@H]2C1 ZINC001084156312 810439178 /nfs/dbraw/zinc/43/91/78/810439178.db2.gz DCTNIEJHOCQTAT-ZIAGYGMSSA-N 0 3 274.364 2.392 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N(CC)CCC(F)(F)F ZINC001121945096 815370002 /nfs/dbraw/zinc/37/00/02/815370002.db2.gz VACRTYFYQGBPAG-SNVBAGLBSA-N 0 3 266.307 2.471 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC(F)(F)F)[C@@H]2C1 ZINC001084216441 810450857 /nfs/dbraw/zinc/45/08/57/810450857.db2.gz KWCBZWTUBBJMBA-GHMZBOCLSA-N 0 3 276.302 2.048 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ncc(C)s1 ZINC001122005029 815376087 /nfs/dbraw/zinc/37/60/87/815376087.db2.gz DVZXQGZZYXFYAR-QWRGUYRKSA-N 0 3 267.398 2.312 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H](C)n2cccc2)CC1 ZINC001016574930 810454592 /nfs/dbraw/zinc/45/45/92/810454592.db2.gz FRHBVTQEITVCBO-HOTGVXAUSA-N 0 3 299.418 2.043 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cc[nH]c2CC)CC1 ZINC001016597679 810455313 /nfs/dbraw/zinc/45/53/13/810455313.db2.gz GFCISLYWGHVEDS-MRXNPFEDSA-N 0 3 299.418 2.185 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2[nH]ccc2C2CC2)CC1 ZINC001016653995 810460314 /nfs/dbraw/zinc/46/03/14/810460314.db2.gz DMTSKYGBNGJYFL-HNNXBMFYSA-N 0 3 297.402 2.110 20 30 CEEDHN C#C[C@](C)(CC)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000384127103 810461581 /nfs/dbraw/zinc/46/15/81/810461581.db2.gz BFPWVDHXQVTUPA-ZIAGYGMSSA-N 0 3 262.309 2.020 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)CC1CCCC1 ZINC000114618081 810462340 /nfs/dbraw/zinc/46/23/40/810462340.db2.gz AQGUWLCIVSHLAR-YPMHNXCESA-N 0 3 262.353 2.214 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](C)C2CCC2)CC1 ZINC001016686663 810463296 /nfs/dbraw/zinc/46/32/96/810463296.db2.gz BKRUWYZKTTXYSI-HOCLYGCPSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](C)C(C)(C)C)[C@@H]2C1 ZINC001084454480 810469600 /nfs/dbraw/zinc/46/96/00/810469600.db2.gz RTDYACFAMDZPJV-RBSFLKMASA-N 0 3 276.424 2.225 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001016814242 810471204 /nfs/dbraw/zinc/47/12/04/810471204.db2.gz JAPDBPIJYOXEGZ-GJZGRUSLSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](C)c2ccccc2)CC1 ZINC001016940063 810478904 /nfs/dbraw/zinc/47/89/04/810478904.db2.gz IKBHJAVSTSRXDK-NVXWUHKLSA-N 0 3 296.414 2.394 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C(C)(C)C(=C)C)[C@@H]2C1 ZINC001084573908 810479013 /nfs/dbraw/zinc/47/90/13/810479013.db2.gz GZTVEXWGUQMZDB-HUUCEWRRSA-N 0 3 274.408 2.145 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ncc(C)s1 ZINC001122005028 815376192 /nfs/dbraw/zinc/37/61/92/815376192.db2.gz DVZXQGZZYXFYAR-MNOVXSKESA-N 0 3 267.398 2.312 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084643218 810491255 /nfs/dbraw/zinc/49/12/55/810491255.db2.gz XSUMIVWMHMRXRK-ARFHVFGLSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001017451458 810523586 /nfs/dbraw/zinc/52/35/86/810523586.db2.gz NOPUTIFDQFVCGU-HUSMAVQQSA-N 0 3 274.408 2.284 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001018047268 810584900 /nfs/dbraw/zinc/58/49/00/810584900.db2.gz KWGJHSLQLYMLMI-XUWVNRHRSA-N 0 3 274.408 2.284 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](C)OCC1CC1 ZINC001231085545 810589632 /nfs/dbraw/zinc/58/96/32/810589632.db2.gz KKKBRPMQJJNCMN-ZBFHGGJFSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(Br)CN[C@@H]1CCCC[C@H]1NC(=O)CC ZINC001085108932 810598796 /nfs/dbraw/zinc/59/87/96/810598796.db2.gz BCAOTJZFDMOUQI-GHMZBOCLSA-N 0 3 289.217 2.322 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCOC1 ZINC001018279198 810600227 /nfs/dbraw/zinc/60/02/27/810600227.db2.gz FKWDEURWNKTPRH-OAGGEKHMSA-N 0 3 292.423 2.054 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1CC1 ZINC001085111812 810600955 /nfs/dbraw/zinc/60/09/55/810600955.db2.gz CPYGAABPPUKABO-VXGBXAGGSA-N 0 3 256.777 2.166 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C(F)F ZINC001085111912 810601074 /nfs/dbraw/zinc/60/10/74/810601074.db2.gz IJPCJNUHMIBJNN-RKDXNWHRSA-N 0 3 266.719 2.021 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)no1 ZINC001085128734 810607403 /nfs/dbraw/zinc/60/74/03/810607403.db2.gz GLOPFYJFVXYBKU-VXGBXAGGSA-N 0 3 297.786 2.366 20 30 CEEDHN C[C@@H](C#N)C(=O)N1CC[C@H](NCc2ccc(Cl)s2)C1 ZINC001018619396 810638748 /nfs/dbraw/zinc/63/87/48/810638748.db2.gz WPDXBITTZAMPKC-UWVGGRQHSA-N 0 3 297.811 2.252 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC001122148502 815388091 /nfs/dbraw/zinc/38/80/91/815388091.db2.gz RYELPKHRPRQXSG-HUUCEWRRSA-N 0 3 273.380 2.056 20 30 CEEDHN CCCCCCCNC(=O)c1cc2n(n1)CCC[C@H]2N ZINC001122160929 815388868 /nfs/dbraw/zinc/38/88/68/815388868.db2.gz CBLFNHZERFUTJW-GFCCVEGCSA-N 0 3 278.400 2.377 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccccc2C2(C)CC2)C1 ZINC001019370353 810704528 /nfs/dbraw/zinc/70/45/28/810704528.db2.gz WGFFHCZANJWTJA-AWEZNQCLSA-N 0 3 282.387 2.175 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)CCc2ccc(Cl)s2)C1 ZINC001019769072 810738525 /nfs/dbraw/zinc/73/85/25/810738525.db2.gz BJRYMBQORDSMDE-NSHDSACASA-N 0 3 296.823 2.158 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc[nH]1 ZINC001085428685 810745540 /nfs/dbraw/zinc/74/55/40/810745540.db2.gz NECSENSRTYMBHG-ZIAGYGMSSA-N 0 3 295.814 2.327 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(C(C)C)s2)C1 ZINC001019840422 810745677 /nfs/dbraw/zinc/74/56/77/810745677.db2.gz QTEPJSYJAOSGGB-LBPRGKRZSA-N 0 3 276.405 2.309 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ncccc1C ZINC001085539227 810817450 /nfs/dbraw/zinc/81/74/50/810817450.db2.gz RBEJYBFDYRGLOI-CQSZACIVSA-N 0 3 273.380 2.112 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(CC)ccn1 ZINC001085614648 810855028 /nfs/dbraw/zinc/85/50/28/810855028.db2.gz SIOFJBBDPCCDSM-HNNXBMFYSA-N 0 3 287.407 2.366 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CCc2cccnc21 ZINC001038640830 810876604 /nfs/dbraw/zinc/87/66/04/810876604.db2.gz YEVAITXATBVIMC-HOTGVXAUSA-N 0 3 299.418 2.268 20 30 CEEDHN C#Cc1cncc(C(=O)NC[C@@H]2CCN2CC2CCCC2)c1 ZINC001038683840 810891680 /nfs/dbraw/zinc/89/16/80/810891680.db2.gz HEXQHCLJEVAYRS-KRWDZBQOSA-N 0 3 297.402 2.057 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(COC)cc1 ZINC001039010365 810968306 /nfs/dbraw/zinc/96/83/06/810968306.db2.gz RSQINKJTNPHYCF-MRXNPFEDSA-N 0 3 288.391 2.213 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2nccn2c1 ZINC001085918556 810969638 /nfs/dbraw/zinc/96/96/38/810969638.db2.gz HOTACJRCVHEWMH-OAHLLOKOSA-N 0 3 298.390 2.057 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(CC=C(C)C)C[C@H]1O ZINC001100019303 811002138 /nfs/dbraw/zinc/00/21/38/811002138.db2.gz CRMIHWHDLSBLCD-HUUCEWRRSA-N 0 3 294.439 2.106 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C/C ZINC001039354110 811015685 /nfs/dbraw/zinc/01/56/85/811015685.db2.gz FUPKCAAHKDYRDL-MZGVWUSBSA-N 0 3 260.381 2.041 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)C1 ZINC001039355386 811016216 /nfs/dbraw/zinc/01/62/16/811016216.db2.gz MLBQPHDEVHLMIS-FJBKBRRZSA-N 0 3 274.408 2.121 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)SC ZINC001039359565 811018305 /nfs/dbraw/zinc/01/83/05/811018305.db2.gz CFACCQDKGJETJP-QLFBSQMISA-N 0 3 294.464 2.217 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1 ZINC001039379227 811021991 /nfs/dbraw/zinc/02/19/91/811021991.db2.gz 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/nfs/dbraw/zinc/09/53/89/811095389.db2.gz SHIIKIJVOUUYDQ-SFHVURJKSA-N 0 3 299.418 2.275 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cccc(C)n2)C1 ZINC001086309693 811098790 /nfs/dbraw/zinc/09/87/90/811098790.db2.gz IGYKZRYNMPDWNC-JOCQHMNTSA-N 0 3 293.798 2.241 20 30 CEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3ccns3)C2)C1 ZINC001040231226 811099422 /nfs/dbraw/zinc/09/94/22/811099422.db2.gz FHCXAJDYULOVLT-OAHLLOKOSA-N 0 3 291.420 2.257 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C3(C4CC4)CC3)C2)C1 ZINC001040255386 811100702 /nfs/dbraw/zinc/10/07/02/811100702.db2.gz TUJVYNPXSOXTEL-KRWDZBQOSA-N 0 3 286.419 2.124 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC001040375930 811108487 /nfs/dbraw/zinc/10/84/87/811108487.db2.gz KDVXNZPCRUAZJA-INIZCTEOSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)C1 ZINC001040383165 811109759 /nfs/dbraw/zinc/10/97/59/811109759.db2.gz GNLOPQBRUYQMDU-JFIYKMOQSA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3nccs3)C2)C1 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C#CCN1CC[C@@]2(CCN(C(=O)C(C)(C)C(C)C)C2)C1 ZINC001041317573 811160781 /nfs/dbraw/zinc/16/07/81/811160781.db2.gz ODLCTAPENSLCLO-QGZVFWFLSA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC34CC4)C2)C1 ZINC001041409282 811164935 /nfs/dbraw/zinc/16/49/35/811164935.db2.gz XJTIQHQIZBVYNQ-DOTOQJQBSA-N 0 3 286.419 2.124 20 30 CEEDHN CC(=O)N1CC[C@@H]2CCN(Cc3cccc(C#N)c3)[C@H]2C1 ZINC001041859773 811196707 /nfs/dbraw/zinc/19/67/07/811196707.db2.gz RICMMNZBLFZPQY-SJORKVTESA-N 0 3 283.375 2.001 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3cc(C)no3)C[C@H]21 ZINC001041930705 811215965 /nfs/dbraw/zinc/21/59/65/811215965.db2.gz CREQBGJVLFQDPX-ZIAGYGMSSA-N 0 3 289.379 2.096 20 30 CEEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001122605743 815430707 /nfs/dbraw/zinc/43/07/07/815430707.db2.gz AZKAHAYWJINJLN-FVCCEPFGSA-N 0 3 257.337 2.423 20 30 CEEDHN Cc1cc(Cl)c(C#N)c(-n2ccc([C@H](C)N)n2)n1 ZINC001169227943 811440526 /nfs/dbraw/zinc/44/05/26/811440526.db2.gz 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C=CCN1C[C@@H](NC(=O)c2c[nH]c3ncccc23)CC[C@@H]1C ZINC001072088878 813543866 /nfs/dbraw/zinc/54/38/66/813543866.db2.gz RONMYKCICUYJDG-STQMWFEESA-N 0 3 298.390 2.332 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CCC[C@@H](C)C3)C2)C1 ZINC001072927730 813693219 /nfs/dbraw/zinc/69/32/19/813693219.db2.gz FLPRCGBVLWSYEL-CVEARBPZSA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2cccs2)C1 ZINC001073525216 813760585 /nfs/dbraw/zinc/76/05/85/813760585.db2.gz SXMNSBMXIPTBPV-ZDUSSCGKSA-N 0 3 294.420 2.145 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccsc2)C1 ZINC001073528101 813760698 /nfs/dbraw/zinc/76/06/98/813760698.db2.gz BZDCTFFCXXYYSC-CQSZACIVSA-N 0 3 294.420 2.145 20 30 CEEDHN O=C1C=C2CN(Cc3cn4ccccc4n3)CCC2S1 ZINC001136876710 813778670 /nfs/dbraw/zinc/77/86/70/813778670.db2.gz GPGLZLLLKNHLHZ-CYBMUJFWSA-N 0 3 285.372 2.108 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CC)on1)C2 ZINC001098241735 813913781 /nfs/dbraw/zinc/91/37/81/813913781.db2.gz ONJCYMJIRSBBOD-KYOSRNDESA-N 0 3 289.379 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/nfs/dbraw/zinc/63/20/72/814632072.db2.gz QAABEHFKQXQUHC-ZOBUZTSGSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C(C)(C)F)C2)CC1 ZINC001086897464 814641603 /nfs/dbraw/zinc/64/16/03/814641603.db2.gz LCFWFSBJPZTSSN-ZDUSSCGKSA-N 0 3 280.387 2.071 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC3(C)C)C2)CC1 ZINC001086917706 814650499 /nfs/dbraw/zinc/65/04/99/814650499.db2.gz RVOQWJJBYRAKSO-CABCVRRESA-N 0 3 288.435 2.369 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cccn3C(C)C)C[C@]2(C)C1 ZINC001092279096 814698271 /nfs/dbraw/zinc/69/82/71/814698271.db2.gz MZOVVMFVVJSCKW-QAPCUYQASA-N 0 3 299.418 2.096 20 30 CEEDHN CC/C=C(/C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001124344254 815611619 /nfs/dbraw/zinc/61/16/19/815611619.db2.gz JTCPEXLGHZYMQH-WCIBSUBMSA-N 0 3 277.393 2.182 20 30 CEEDHN C[C@H]1C[C@@H](NC(=N)c2ccc(Cl)cn2)CCO1 ZINC001173169495 815621310 /nfs/dbraw/zinc/62/13/10/815621310.db2.gz MUDLYYYHEVTUIB-WPRPVWTQSA-N 0 3 253.733 2.008 20 30 CEEDHN C[C@@H](C#N)C(=O)NCCN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC001124909219 815633593 /nfs/dbraw/zinc/63/35/93/815633593.db2.gz ZMSVXWYZBYSTPQ-UWVGGRQHSA-N 0 3 297.761 2.406 20 30 CEEDHN CCN1CCN(Cc2ccc(OC)cc2C#N)C(C)(C)C1 ZINC001137706974 815669936 /nfs/dbraw/zinc/66/99/36/815669936.db2.gz YVUYWVXAJLCCRX-UHFFFAOYSA-N 0 3 287.407 2.483 20 30 CEEDHN CC(=O)N1CCN(C2CCC(CC#N)CC2)C[C@@H]1C ZINC001173337100 815680320 /nfs/dbraw/zinc/68/03/20/815680320.db2.gz ZHDINUIKIDFBNH-GRTSSRMGSA-N 0 3 263.385 2.011 20 30 CEEDHN COC(=O)C1(C#N)CCN(C2CCC(C)(C#N)CC2)CC1 ZINC001173597354 815756833 /nfs/dbraw/zinc/75/68/33/815756833.db2.gz QEXACSFYTGNJMC-UHFFFAOYSA-N 0 3 289.379 2.238 20 30 CEEDHN CC1(C#N)CCC(n2c3c(sc2=N)CNCC3)CC1 ZINC001173599908 815758692 /nfs/dbraw/zinc/75/86/92/815758692.db2.gz SNWPSZJFAKHTBB-UHFFFAOYSA-N 0 3 276.409 2.320 20 30 CEEDHN C#CCOc1ccc(CN2CC([C@@H](C)OC)C2)cc1 ZINC001138559666 815827202 /nfs/dbraw/zinc/82/72/02/815827202.db2.gz ACEHVVXRKYUTGV-CYBMUJFWSA-N 0 3 259.349 2.165 20 30 CEEDHN O=C1C=C2CN(Cc3cnc4ccccc4n3)CCC2S1 ZINC001138864939 815918544 /nfs/dbraw/zinc/91/85/44/815918544.db2.gz MHHOIMPIAXTVJS-OAHLLOKOSA-N 0 3 297.383 2.404 20 30 CEEDHN CN(C)C1CN(Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139400035 816019500 /nfs/dbraw/zinc/01/95/00/816019500.db2.gz CKTGBGZOIWLIGK-UHFFFAOYSA-N 0 3 292.386 2.366 20 30 CEEDHN C=C(C)CN(CC)Cc1ccc(N2CCOCC2)nc1 ZINC001139433322 816022759 /nfs/dbraw/zinc/02/27/59/816022759.db2.gz PZDNHYMIOSVNFB-UHFFFAOYSA-N 0 3 275.396 2.316 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(=O)[nH]c1 ZINC001139466883 816030956 /nfs/dbraw/zinc/03/09/56/816030956.db2.gz VKQDXFYHOJMQLM-UHFFFAOYSA-N 0 3 253.305 2.291 20 30 CEEDHN N#Cc1cccc2c(CN3CC[C@H]4OCC[C@H]43)c[nH]c21 ZINC001139704054 816090312 /nfs/dbraw/zinc/09/03/12/816090312.db2.gz PYQKRAVMCUNEDT-HUUCEWRRSA-N 0 3 267.332 2.403 20 30 CEEDHN COC[C@H]1CCN1Cc1c[nH]c2c1cccc2C#N ZINC001139707697 816092467 /nfs/dbraw/zinc/09/24/67/816092467.db2.gz PFEUBOYIKMIKLC-CYBMUJFWSA-N 0 3 255.321 2.260 20 30 CEEDHN COC(=O)[C@@H]1C[C@@H](C)CN(Cc2ccc(C)c(C#N)c2)C1 ZINC001139726343 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ZINC001140755591 816346271 /nfs/dbraw/zinc/34/62/71/816346271.db2.gz LWZGOPJBOAIQJI-LLVKDONJSA-N 0 3 279.334 2.362 20 30 CEEDHN COCC#CCN(CCN(C)C(=O)OC(C)(C)C)C(C)C ZINC001176323039 816396621 /nfs/dbraw/zinc/39/66/21/816396621.db2.gz RNJNCRLGKSGLFA-UHFFFAOYSA-N 0 3 298.427 2.214 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1csc(C2CC2)n1 ZINC001177377512 816550180 /nfs/dbraw/zinc/55/01/80/816550180.db2.gz POAALWHDFPGQMI-UHFFFAOYSA-N 0 3 299.827 2.483 20 30 CEEDHN N#Cc1ccc2c(CN3CC4(C3)CCOC4)c[nH]c2c1 ZINC001142912020 816754941 /nfs/dbraw/zinc/75/49/41/816754941.db2.gz RLQXOYMTNCATGF-UHFFFAOYSA-N 0 3 267.332 2.262 20 30 CEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCCC1)C2 ZINC001110228434 816829862 /nfs/dbraw/zinc/82/98/62/816829862.db2.gz MPTPSDRGVHVKRW-OAGGEKHMSA-N 0 3 292.423 2.101 20 30 CEEDHN C[C@@H](CNc1cnc(C#N)cn1)N(C)Cc1ccccc1 ZINC000124350748 187133740 /nfs/dbraw/zinc/13/37/40/187133740.db2.gz TXXCWNIWRQKKFF-ZDUSSCGKSA-N 0 3 281.363 2.281 20 30 CEEDHN C[C@H](NCC[C@@H](O)C(F)F)c1ccc(C#N)cc1F ZINC000601299581 346815321 /nfs/dbraw/zinc/81/53/21/346815321.db2.gz RTYHRNSPUCLBHE-QPUJVOFHSA-N 0 3 272.270 2.364 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCSC2(CCCCC2)C1 ZINC000079504389 343982467 /nfs/dbraw/zinc/98/24/67/343982467.db2.gz GGRKXHSELMBHTC-ZDUSSCGKSA-N 0 3 282.453 2.429 20 30 CEEDHN C[C@@H](O)C[C@H]1CCCN1Cc1ccc(C#N)s1 ZINC000127725689 187328922 /nfs/dbraw/zinc/32/89/22/187328922.db2.gz QDFYWZIUCGQOKU-GHMZBOCLSA-N 0 3 250.367 2.355 20 30 CEEDHN N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C3CC3)C2)c1 ZINC000124777384 187153157 /nfs/dbraw/zinc/15/31/57/187153157.db2.gz DIEDIQISEKKLKM-LLVKDONJSA-N 0 3 272.308 2.115 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)C2(C#N)CCCC2)CCN1C ZINC000123888704 365643116 /nfs/dbraw/zinc/64/31/16/365643116.db2.gz SVKNDTKKMREHFG-OLZOCXBDSA-N 0 3 263.385 2.011 20 30 CEEDHN C#CCN(C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)C1CCCC1 ZINC000124298729 365648792 /nfs/dbraw/zinc/64/87/92/365648792.db2.gz PVIMIRIRKYSJIF-UONOGXRCSA-N 0 3 289.423 2.199 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000125174250 187172920 /nfs/dbraw/zinc/17/29/20/187172920.db2.gz SHXLKBONBXLZKZ-XJKSGUPXSA-N 0 3 285.391 2.279 20 30 CEEDHN C=C(C)CCN1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621382054 349589687 /nfs/dbraw/zinc/58/96/87/349589687.db2.gz HTEIKFZSBHZEOT-UHFFFAOYSA-N 0 3 291.370 2.013 20 30 CEEDHN C[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccn1 ZINC000037889256 361959079 /nfs/dbraw/zinc/95/90/79/361959079.db2.gz RNISEEZROTVZAX-BLLLJJGKSA-N 0 3 267.332 2.337 20 30 CEEDHN C[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccn1 ZINC000037889255 361959664 /nfs/dbraw/zinc/95/96/64/361959664.db2.gz RNISEEZROTVZAX-WBMJQRKESA-N 0 3 267.332 2.337 20 30 CEEDHN CCCN(CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000350766437 219058916 /nfs/dbraw/zinc/05/89/16/219058916.db2.gz BSOXKDBXDLMCOS-UHFFFAOYSA-N 0 3 271.364 2.049 20 30 CEEDHN CN1CCC(CC(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000601711839 346885809 /nfs/dbraw/zinc/88/58/09/346885809.db2.gz RABNSNYWMAIVNG-UHFFFAOYSA-N 0 3 275.327 2.368 20 30 CEEDHN CCOC(=O)C(CC)(CC)CNC(=O)C(C#N)CC ZINC000601751941 346891701 /nfs/dbraw/zinc/89/17/01/346891701.db2.gz FKVHCKZHHLUZDJ-LLVKDONJSA-N 0 3 268.357 2.022 20 30 CEEDHN CC[C@H](C(=O)N(C)[C@H]1CCC[C@@H]1C#N)N(CC)CC ZINC000601804625 346902277 /nfs/dbraw/zinc/90/22/77/346902277.db2.gz BYIIOWIEZNFBCV-MCIONIFRSA-N 0 3 265.401 2.257 20 30 CEEDHN CN(C)[C@@H]1CCCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000330797038 282188112 /nfs/dbraw/zinc/18/81/12/282188112.db2.gz GIELRDQHYVGKBU-HUUCEWRRSA-N 0 3 286.379 2.161 20 30 CEEDHN CN(CCC(=O)N(C)[C@H]1CCC[C@@H]1C#N)c1ccncc1 ZINC000601817133 346907775 /nfs/dbraw/zinc/90/77/75/346907775.db2.gz ILYCMBLLEHNJDA-HIFRSBDPSA-N 0 3 286.379 2.059 20 30 CEEDHN C[C@H](C(=O)N(C)[C@H]1CCC[C@H]1C#N)N1[C@H](C)CC[C@@H]1C ZINC000601807235 346903858 /nfs/dbraw/zinc/90/38/58/346903858.db2.gz IHHNWFAOPGPFPX-SEBNEYGDSA-N 0 3 277.412 2.398 20 30 CEEDHN C=CCc1cc(CNC2([C@@H](C)O)CC2)cc(OC)c1O ZINC000668697923 539239883 /nfs/dbraw/zinc/23/98/83/539239883.db2.gz PAOYBSLFVJNIKA-LLVKDONJSA-N 0 3 277.364 2.132 20 30 CEEDHN C#CCOc1ccccc1CN1CCC2(CC1)OCCO2 ZINC000126119629 187218474 /nfs/dbraw/zinc/21/84/74/187218474.db2.gz ZYNILMQQTOQLBN-UHFFFAOYSA-N 0 3 287.359 2.038 20 30 CEEDHN Cc1cccc(CN2CC[C@@H](NC(=O)[C@H](C)CC#N)C2)c1 ZINC000601852306 346916979 /nfs/dbraw/zinc/91/69/79/346916979.db2.gz MRPBOTXUDUVNAI-GDBMZVCRSA-N 0 3 285.391 2.235 20 30 CEEDHN Cc1cccc(CN2CC[C@@H](NC(=O)[C@@H](C)CC#N)C2)c1 ZINC000601852307 346917093 /nfs/dbraw/zinc/91/70/93/346917093.db2.gz MRPBOTXUDUVNAI-GOEBONIOSA-N 0 3 285.391 2.235 20 30 CEEDHN CC[C@@H](NC(=O)C(C)C#N)c1nc2ccccc2[nH]1 ZINC000347141991 529656642 /nfs/dbraw/zinc/65/66/42/529656642.db2.gz VKWPDSFQGIOILY-NXEZZACHSA-N 0 3 256.309 2.290 20 30 CEEDHN CCO[C@@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000042422306 362093260 /nfs/dbraw/zinc/09/32/60/362093260.db2.gz CQUFURCBSZDHBW-MRXNPFEDSA-N 0 3 274.364 2.438 20 30 CEEDHN C#CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000126791531 365722996 /nfs/dbraw/zinc/72/29/96/365722996.db2.gz HGIBQURCOZIXKI-INIZCTEOSA-N 0 3 285.391 2.064 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](CC)OC)C(C)C ZINC000299352419 260183354 /nfs/dbraw/zinc/18/33/54/260183354.db2.gz WADCWZPKYNYOBS-GJZGRUSLSA-N 0 3 282.428 2.226 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2ccc3c(c2)OCO3)nc(C)n1 ZINC000041574225 343441614 /nfs/dbraw/zinc/44/16/14/343441614.db2.gz SYUGAGPDJAGDCU-GFCCVEGCSA-N 0 3 295.298 2.312 20 30 CEEDHN N#Cc1ccccc1OC[C@H](O)CNCc1cccs1 ZINC000037886177 343432037 /nfs/dbraw/zinc/43/20/37/343432037.db2.gz KBHVJNBWINBNGU-CYBMUJFWSA-N 0 3 288.372 2.149 20 30 CEEDHN C=CCOc1ccccc1C(=O)NC1CCN(C)CC1 ZINC000047773626 362223844 /nfs/dbraw/zinc/22/38/44/362223844.db2.gz GNHQKVZUNMLSRR-UHFFFAOYSA-N 0 3 274.364 2.075 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cccc(C#N)c1 ZINC000048069274 362244655 /nfs/dbraw/zinc/24/46/55/362244655.db2.gz RIPDCVBXUDAZDD-HNNXBMFYSA-N 0 3 273.380 2.264 20 30 CEEDHN CC1(C)CN(C[C@@H](O)CC2(C#N)CCOCC2)[C@@H]1C1CC1 ZINC000601955742 346942169 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/nfs/dbraw/zinc/62/92/32/343629232.db2.gz QAUAROGUAFYLAI-CQSZACIVSA-N 0 3 277.412 2.451 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccccc2OCC)CC1 ZINC000067707340 343742096 /nfs/dbraw/zinc/74/20/96/343742096.db2.gz QUDKTOGNPPWWDJ-UHFFFAOYSA-N 0 3 286.375 2.369 20 30 CEEDHN CN(C)[C@]1(CNCc2cccc(F)c2C#N)CCSC1 ZINC000602012221 346958652 /nfs/dbraw/zinc/95/86/52/346958652.db2.gz KVIFTFTXWRUHBX-HNNXBMFYSA-N 0 3 293.411 2.224 20 30 CEEDHN CC(=O)N1CCC[C@H](CNCc2cccc(F)c2C#N)C1 ZINC000602015866 346960125 /nfs/dbraw/zinc/96/01/25/346960125.db2.gz JGMQIQXOIZMWIV-CYBMUJFWSA-N 0 3 289.354 2.045 20 30 CEEDHN CN1CC=C(CNCc2cccc(F)c2C#N)CC1 ZINC000602016460 346960856 /nfs/dbraw/zinc/96/08/56/346960856.db2.gz WWUIPYPWOPHXMK-UHFFFAOYSA-N 0 3 259.328 2.049 20 30 CEEDHN N#Cc1c(F)cccc1CN[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000602016710 346960866 /nfs/dbraw/zinc/96/08/66/346960866.db2.gz XTSCHOZOMMGGGY-BBRMVZONSA-N 0 3 290.338 2.125 20 30 CEEDHN CN(CC(=O)N(C)[C@H]1CCC[C@@H]1C#N)CC(C)(C)C ZINC000602193361 346991474 /nfs/dbraw/zinc/99/14/74/346991474.db2.gz AMDPPTHTEZFCGG-OLZOCXBDSA-N 0 3 265.401 2.115 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000602289583 347005790 /nfs/dbraw/zinc/00/57/90/347005790.db2.gz DEYXDGUYDCVXTR-ZIAGYGMSSA-N 0 3 277.412 2.259 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2sc(C)nc2C)CC1 ZINC000081562105 344057570 /nfs/dbraw/zinc/05/75/70/344057570.db2.gz LEWWYDAYVCUYIW-UHFFFAOYSA-N 0 3 277.393 2.044 20 30 CEEDHN C=CCOc1ccc(CN(C)CCOC)cc1OC ZINC000127145150 187285766 /nfs/dbraw/zinc/28/57/66/187285766.db2.gz LTUOLHWAPCBIJR-UHFFFAOYSA-N 0 3 265.353 2.338 20 30 CEEDHN N#Cc1csc(C(=O)N2CCC[C@@H](N3CCCC3)C2)c1 ZINC000084181733 344082002 /nfs/dbraw/zinc/08/20/02/344082002.db2.gz BPLMALXEKCYHJF-CYBMUJFWSA-N 0 3 289.404 2.320 20 30 CEEDHN CO[C@@]1(CN(Cc2ccc(C#N)cc2)C2CC2)CCOC1 ZINC000602442418 347034740 /nfs/dbraw/zinc/03/47/40/347034740.db2.gz YIKJQPMGLVLEQP-QGZVFWFLSA-N 0 3 286.375 2.328 20 30 CEEDHN N#Cc1csc(CN2CCC[C@@H](CCO)C2)c1 ZINC000093107366 344214120 /nfs/dbraw/zinc/21/41/20/344214120.db2.gz QOPPMLRGHPZEPX-NSHDSACASA-N 0 3 250.367 2.214 20 30 CEEDHN Cc1noc(C2CCN(C[C@H](C)CCC#N)CC2)n1 ZINC000602446225 347036685 /nfs/dbraw/zinc/03/66/85/347036685.db2.gz YYSDFHIKTXYODU-LLVKDONJSA-N 0 3 262.357 2.497 20 30 CEEDHN C=CCOc1ccccc1CN(C)C[C@H](C)C(=O)NC ZINC000093899099 344232394 /nfs/dbraw/zinc/23/23/94/344232394.db2.gz CDLHRJAONFULMD-ZDUSSCGKSA-N 0 3 276.380 2.065 20 30 CEEDHN N#Cc1ccccc1N1CCN(CCC[C@H]2CCO2)CC1 ZINC000602439080 347033278 /nfs/dbraw/zinc/03/32/78/347033278.db2.gz XMMOFMVQAXBDJT-INIZCTEOSA-N 0 3 285.391 2.249 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CCc2cccnc2)CC1 ZINC000106038885 344257776 /nfs/dbraw/zinc/25/77/76/344257776.db2.gz YMWXUZHSODXMKJ-UHFFFAOYSA-N 0 3 287.407 2.171 20 30 CEEDHN CC(C)[C@@H](C)CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000163098180 344469928 /nfs/dbraw/zinc/46/99/28/344469928.db2.gz SIWCYVLXIRFNNX-ZDUSSCGKSA-N 0 3 294.420 2.214 20 30 CEEDHN COC(=O)[C@H](C)CN(C)Cc1ccc(C#N)cc1C ZINC000166226819 344476031 /nfs/dbraw/zinc/47/60/31/344476031.db2.gz OPYXUCLRGBTRCS-GFCCVEGCSA-N 0 3 260.337 2.108 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@H](CCC(N)=O)C2)c1 ZINC000170735371 344488989 /nfs/dbraw/zinc/48/89/89/344488989.db2.gz IDMZDFYDRDNSNN-CYBMUJFWSA-N 0 3 271.364 2.036 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000602499230 347058718 /nfs/dbraw/zinc/05/87/18/347058718.db2.gz PSSRFTDIEPFEDG-SFHVURJKSA-N 0 3 292.386 2.317 20 30 CEEDHN N#CC1(C(=O)Nc2ccc3c(c2)CNC3)CC2(CC2)C1 ZINC000602499049 347058636 /nfs/dbraw/zinc/05/86/36/347058636.db2.gz OPZNFAHOVFCFLS-UHFFFAOYSA-N 0 3 267.332 2.312 20 30 CEEDHN C[C@@H](CNC(=O)c1sccc1C#N)N1CCC[C@@H](C)C1 ZINC000052035233 362462147 /nfs/dbraw/zinc/46/21/47/362462147.db2.gz ZUJHGEGYXARHRV-NEPJUHHUSA-N 0 3 291.420 2.470 20 30 CEEDHN Cn1cncc1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000263865483 344656344 /nfs/dbraw/zinc/65/63/44/344656344.db2.gz YLZBATIBBTVXSK-UHFFFAOYSA-N 0 3 295.390 2.050 20 30 CEEDHN CC(C)CC[C@@H](N)C(=O)N1Cc2cccc(C#N)c2C1 ZINC000602521679 347065548 /nfs/dbraw/zinc/06/55/48/347065548.db2.gz PSCFMNSJIJXRSQ-OAHLLOKOSA-N 0 3 271.364 2.164 20 30 CEEDHN N#Cc1cccc(CNCCN2CCc3ccccc3C2)n1 ZINC000602509606 347061937 /nfs/dbraw/zinc/06/19/37/347061937.db2.gz FDPWNOMYSUBEPT-UHFFFAOYSA-N 0 3 292.386 2.101 20 30 CEEDHN C=CCC[C@H](CO)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000320338496 344751931 /nfs/dbraw/zinc/75/19/31/344751931.db2.gz APEGWOPAQLGKHU-IUODEOHRSA-N 0 3 291.391 2.435 20 30 CEEDHN COc1cc(CN[C@@H](C)CC2(C#N)CCOCC2)ccn1 ZINC000602540429 347070288 /nfs/dbraw/zinc/07/02/88/347070288.db2.gz PJCXDGVDTBJPTK-ZDUSSCGKSA-N 0 3 289.379 2.279 20 30 CEEDHN Cc1ccccc1CNC[C@@H](O)COc1ccccc1C#N ZINC000314818777 344746594 /nfs/dbraw/zinc/74/65/94/344746594.db2.gz YXVYCJKCABIGQL-QGZVFWFLSA-N 0 3 296.370 2.396 20 30 CEEDHN CSC[C@@H](CCO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000305801415 344710876 /nfs/dbraw/zinc/71/08/76/344710876.db2.gz GFCXLQBEUQQRGF-ZWNOBZJWSA-N 0 3 282.384 2.462 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCC1CCc2ccccc2CC1 ZINC000602530228 347067762 /nfs/dbraw/zinc/06/77/62/347067762.db2.gz GABFMJZCTRYHLI-QGZVFWFLSA-N 0 3 299.418 2.319 20 30 CEEDHN CC[C@H]1CCCCN1CCNCc1cccc(C#N)n1 ZINC000602546026 347071890 /nfs/dbraw/zinc/07/18/90/347071890.db2.gz BBDCFGQRQYMLOM-INIZCTEOSA-N 0 3 272.396 2.307 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000339720587 344768331 /nfs/dbraw/zinc/76/83/31/344768331.db2.gz SAGASPHJZCVMPV-UONOGXRCSA-N 0 3 277.412 2.259 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000339720585 344768367 /nfs/dbraw/zinc/76/83/67/344768367.db2.gz SAGASPHJZCVMPV-KBPBESRZSA-N 0 3 277.412 2.259 20 30 CEEDHN Cc1noc(C)c1[C@H](C)CNCc1cccc(C#N)n1 ZINC000602570790 347082640 /nfs/dbraw/zinc/08/26/40/347082640.db2.gz JSGZOUGVQYCJKJ-SNVBAGLBSA-N 0 3 270.336 2.451 20 30 CEEDHN C[C@@H]1c2ccsc2CCN1C(=O)[C@@H](N)CCCC#N ZINC000424062619 344896776 /nfs/dbraw/zinc/89/67/76/344896776.db2.gz HFDPPKUGHXRSRP-PWSUYJOCSA-N 0 3 277.393 2.215 20 30 CEEDHN CC[C@@H]1CC[C@H](C)N1CC(=O)N(CC)C[C@@H](C)C#N ZINC000357530309 260228460 /nfs/dbraw/zinc/22/84/60/260228460.db2.gz PNEXRFXDXKJCHC-MELADBBJSA-N 0 3 265.401 2.257 20 30 CEEDHN C#C[C@H](C)N(C)C[C@H](O)COCc1ccccc1Cl ZINC000491804918 344914268 /nfs/dbraw/zinc/91/42/68/344914268.db2.gz MVHKUEFTOWLIPQ-JSGCOSHPSA-N 0 3 281.783 2.171 20 30 CEEDHN C[C@H](CCc1cccn1C)NC[C@H](C#N)CCC#N ZINC000581365242 344953390 /nfs/dbraw/zinc/95/33/90/344953390.db2.gz KKAYGZUEUBZPGP-KGLIPLIRSA-N 0 3 258.369 2.379 20 30 CEEDHN CN(Cc1cnc2ccc(C#N)cn12)C1CCC(CO)CC1 ZINC000561983711 344938677 /nfs/dbraw/zinc/93/86/77/344938677.db2.gz RUKMPQHXEXKGHM-UHFFFAOYSA-N 0 3 298.390 2.189 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCN(c3ncccc3F)C2)C1 ZINC000584699177 344977657 /nfs/dbraw/zinc/97/76/57/344977657.db2.gz UFZNIVAPUILYNR-UPJWGTAASA-N 0 3 274.343 2.081 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)CCCCCC#N)C1 ZINC000588295235 345045398 /nfs/dbraw/zinc/04/53/98/345045398.db2.gz IACINZWSKWSCDE-CQSZACIVSA-N 0 3 265.401 2.309 20 30 CEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)CCCCCC#N)C1 ZINC000588756553 345054450 /nfs/dbraw/zinc/05/44/50/345054450.db2.gz XXLLKJQFJCASNB-CABCVRRESA-N 0 3 277.412 2.403 20 30 CEEDHN CC(C)(C)C1=CCN(CCNc2cnc(C#N)cn2)CC1 ZINC000589101402 345065749 /nfs/dbraw/zinc/06/57/49/345065749.db2.gz ZHKGCWOGYQKOSB-UHFFFAOYSA-N 0 3 285.395 2.438 20 30 CEEDHN CN(C)CCN(C(=O)CC1(C#N)CC1)c1ccccc1 ZINC000590192658 345120781 /nfs/dbraw/zinc/12/07/81/345120781.db2.gz PQTIBGPALCQZCE-UHFFFAOYSA-N 0 3 271.364 2.275 20 30 CEEDHN COC(=O)C[C@@](C)(NC[C@@H](C)CCC#N)c1ccncc1 ZINC000589823074 345100253 /nfs/dbraw/zinc/10/02/53/345100253.db2.gz YPNXQFQRPMAKRY-XJKSGUPXSA-N 0 3 289.379 2.389 20 30 CEEDHN CN1C[C@H]2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)[C@@H]2C1 ZINC000590046681 345111564 /nfs/dbraw/zinc/11/15/64/345111564.db2.gz MKWBAVNETYWPIR-GDBMZVCRSA-N 0 3 297.402 2.264 20 30 CEEDHN CC1(C)[C@H](NCc2ccnc(C#N)c2)[C@@H]2CCCO[C@H]21 ZINC000590756436 345175202 /nfs/dbraw/zinc/17/52/02/345175202.db2.gz KPZAJUIVKBWRFB-RRFJBIMHSA-N 0 3 271.364 2.246 20 30 CEEDHN CN(C)C[C@@H]1CCCN1c1nc(C#N)c(Cl)s1 ZINC000590586066 345148212 /nfs/dbraw/zinc/14/82/12/345148212.db2.gz JTJXLCIJDKVHEH-QMMMGPOBSA-N 0 3 270.789 2.199 20 30 CEEDHN CCCN(C(=O)NCC(C)(C)CC#N)[C@@H]1CCN(C)C1 ZINC000592029384 345316033 /nfs/dbraw/zinc/31/60/33/345316033.db2.gz JLTHUWSGMLEWBO-CYBMUJFWSA-N 0 3 280.416 2.052 20 30 CEEDHN C[C@@H](NC(=O)[C@@]1(C#N)CCNC1)c1cc2ccccc2o1 ZINC000591590558 345267318 /nfs/dbraw/zinc/26/73/18/345267318.db2.gz KMJPJEUVUBQPJQ-BDJLRTHQSA-N 0 3 283.331 2.113 20 30 CEEDHN N#Cc1ccc2c(c1)CC[C@H]2NC[C@H](O)CC(F)(F)F ZINC000591764786 345278498 /nfs/dbraw/zinc/27/84/98/345278498.db2.gz JPPUYTNIQKWVEE-DGCLKSJQSA-N 0 3 284.281 2.448 20 30 CEEDHN Cc1ccc2nccc(N3CC[C@](O)(CC#N)C3)c2c1 ZINC000591974034 345308360 /nfs/dbraw/zinc/30/83/60/345308360.db2.gz GGDDKZVQMHIRQX-MRXNPFEDSA-N 0 3 267.332 2.398 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)C2CC2)CC1 ZINC000592302272 345342471 /nfs/dbraw/zinc/34/24/71/345342471.db2.gz HTQARHVGQRQIAU-ZDUSSCGKSA-N 0 3 279.428 2.372 20 30 CEEDHN C[C@H]1SCC[C@@H]1NCc1cnc2ccc(C#N)cn12 ZINC000592380943 345348740 /nfs/dbraw/zinc/34/87/40/345348740.db2.gz VGGXDWCRCOYHIE-MFKMUULPSA-N 0 3 272.377 2.190 20 30 CEEDHN COc1ccc([C@@H](C)CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592522477 345365536 /nfs/dbraw/zinc/36/55/36/345365536.db2.gz NPVUVRBLOAOWML-BBRMVZONSA-N 0 3 274.364 2.149 20 30 CEEDHN N#Cc1cc(CN2CCC[C@@H]2[C@H]2CCCOC2)ccn1 ZINC000592134989 345327263 /nfs/dbraw/zinc/32/72/63/345327263.db2.gz YMNBXCUURKFARA-GOEBONIOSA-N 0 3 271.364 2.344 20 30 CEEDHN CCC[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccn1 ZINC000592129242 345327726 /nfs/dbraw/zinc/32/77/26/345327726.db2.gz OLSMGGSUGSGLDA-OCCSQVGLSA-N 0 3 274.368 2.060 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000592136134 345328384 /nfs/dbraw/zinc/32/83/84/345328384.db2.gz BBYOLWKPAUZPPI-DUVNUKRYSA-N 0 3 275.396 2.059 20 30 CEEDHN N#Cc1cccc(OCCN2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000592141931 345328703 /nfs/dbraw/zinc/32/87/03/345328703.db2.gz VWONWIUWYODYGA-ZBFHGGJFSA-N 0 3 272.348 2.048 20 30 CEEDHN C[C@@H](CCc1ccccc1)N1CC[C@@](O)(CC#N)C1 ZINC000592148089 345329344 /nfs/dbraw/zinc/32/93/44/345329344.db2.gz VUJYQENHRLQANU-HOCLYGCPSA-N 0 3 258.365 2.358 20 30 CEEDHN CCN(C[C@@H]1CCC(=O)N1)[C@H](C)c1ccc(C#N)cc1 ZINC000592999125 345420940 /nfs/dbraw/zinc/42/09/40/345420940.db2.gz MMFGWVYMOGPKAS-DOMZBBRYSA-N 0 3 271.364 2.220 20 30 CEEDHN CN(C)C1(CN(C)C(=O)c2cccc(C#N)c2)CCC1 ZINC000097932566 232189221 /nfs/dbraw/zinc/18/92/21/232189221.db2.gz XBKQTFPJCCLATH-UHFFFAOYSA-N 0 3 271.364 2.115 20 30 CEEDHN CCCN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CCN(C)C1 ZINC000592828357 345401213 /nfs/dbraw/zinc/40/12/13/345401213.db2.gz HPWFYCQDWXKGFJ-AWEZNQCLSA-N 0 3 289.354 2.254 20 30 CEEDHN CCC(C#N)C(=O)N=c1cc(CCc2ccccc2)[nH][nH]1 ZINC000593482571 345495384 /nfs/dbraw/zinc/49/53/84/345495384.db2.gz UAGMRXIIPTZWHX-ZDUSSCGKSA-N 0 3 282.347 2.105 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)NCC(C)(C)CCC#N ZINC000593405595 345478216 /nfs/dbraw/zinc/47/82/16/345478216.db2.gz WMPSUUNEDJUZOL-UHFFFAOYSA-N 0 3 294.443 2.444 20 30 CEEDHN CC[C@@H](C#N)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000593422507 345482386 /nfs/dbraw/zinc/48/23/86/345482386.db2.gz NIHAZIRDEHHHQO-DZGCQCFKSA-N 0 3 273.380 2.264 20 30 CEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCC1(C#N)CCCC1 ZINC000593429323 345483946 /nfs/dbraw/zinc/48/39/46/345483946.db2.gz DPDHGWQASHTQRY-UONOGXRCSA-N 0 3 292.427 2.052 20 30 CEEDHN CC[C@H](C#N)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000593443639 345487642 /nfs/dbraw/zinc/48/76/42/345487642.db2.gz PPJPMQSVUJTNJF-GFCCVEGCSA-N 0 3 275.352 2.115 20 30 CEEDHN CCC(C#N)C(=O)N(C)[C@@H](CC)C(=O)OC(C)(C)C ZINC000593887253 345548408 /nfs/dbraw/zinc/54/84/08/345548408.db2.gz QUPFQISKRIHTAK-QWRGUYRKSA-N 0 3 268.357 2.115 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)c1ccc(C#N)cc1 ZINC000593883408 345548415 /nfs/dbraw/zinc/54/84/15/345548415.db2.gz MRTKAQVBJXXUSD-UHFFFAOYSA-N 0 3 271.364 2.116 20 30 CEEDHN N#CC[C@@]1(O)CCN(Cc2cccc3c2CCC3)C1 ZINC000593635528 345515750 /nfs/dbraw/zinc/51/57/50/345515750.db2.gz GJDLPAGRYKAYQR-MRXNPFEDSA-N 0 3 256.349 2.026 20 30 CEEDHN N#CCCCCC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594196705 345597048 /nfs/dbraw/zinc/59/70/48/345597048.db2.gz LRTKBRPUZYXOLT-KBPBESRZSA-N 0 3 263.385 2.203 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000594253596 345605237 /nfs/dbraw/zinc/60/52/37/345605237.db2.gz RUVZVSGWGJCYGK-CJNGLKHVSA-N 0 3 297.402 2.090 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)N1CCCC1 ZINC000594283937 345608551 /nfs/dbraw/zinc/60/85/51/345608551.db2.gz OTYHTXSZXPWGMY-HUUCEWRRSA-N 0 3 299.418 2.337 20 30 CEEDHN COCC1(CNC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000594400605 345621480 /nfs/dbraw/zinc/62/14/80/345621480.db2.gz ZUTABKFTQBTGCD-HNNXBMFYSA-N 0 3 286.375 2.302 20 30 CEEDHN CC1CCC(N(C)C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594425162 345625940 /nfs/dbraw/zinc/62/59/40/345625940.db2.gz GBHIDEDUGFUZCF-RUXDESIVSA-N 0 3 265.401 2.435 20 30 CEEDHN C[C@H](C1CC1)n1nccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594424639 345626006 /nfs/dbraw/zinc/62/60/06/345626006.db2.gz CGKHHYLNMSNXET-YPMHNXCESA-N 0 3 289.383 2.204 20 30 CEEDHN Cc1ccc(CN(C)C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594426969 345626261 /nfs/dbraw/zinc/62/62/61/345626261.db2.gz UBZYQMDRLULPQJ-HNNXBMFYSA-N 0 3 273.380 2.365 20 30 CEEDHN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594426836 345626354 /nfs/dbraw/zinc/62/63/54/345626354.db2.gz FPETYCPYUNNEDO-RDBSUJKOSA-N 0 3 265.401 2.483 20 30 CEEDHN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CCCCC#N ZINC000594427403 345626501 /nfs/dbraw/zinc/62/65/01/345626501.db2.gz UGNKPXSARQELDB-OCCSQVGLSA-N 0 3 271.364 2.375 20 30 CEEDHN C[C@H](N(C)C(=O)[C@H](N)CCCCC#N)C(C)(C)C ZINC000594430008 345627782 /nfs/dbraw/zinc/62/77/82/345627782.db2.gz ZAXGSHIDOQVOEK-NWDGAFQWSA-N 0 3 253.390 2.291 20 30 CEEDHN Cc1cccc(CCNC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594431422 345628211 /nfs/dbraw/zinc/62/82/11/345628211.db2.gz MIBXCJCTFHLPNF-HNNXBMFYSA-N 0 3 273.380 2.065 20 30 CEEDHN C[C@H](Cc1cccs1)NC(=O)[C@@H](N)CCCCC#N ZINC000594430145 345628415 /nfs/dbraw/zinc/62/84/15/345628415.db2.gz ZGKOGYNDLLJZAW-YPMHNXCESA-N 0 3 279.409 2.207 20 30 CEEDHN CCn1ncc2ccc(NC(=O)[C@@H](N)CCCCC#N)cc21 ZINC000594431950 345628754 /nfs/dbraw/zinc/62/87/54/345628754.db2.gz SZBZAMCQBBYWFA-AWEZNQCLSA-N 0 3 299.378 2.406 20 30 CEEDHN CCc1cnc(NC(=O)[C@@H](N)CCCCC#N)s1 ZINC000594431374 345628781 /nfs/dbraw/zinc/62/87/81/345628781.db2.gz LGKUUVQNFUPGHQ-JTQLQIEISA-N 0 3 266.370 2.055 20 30 CEEDHN Cc1cccc2c1N(C(=O)[C@@H](N)CCCCC#N)CC2 ZINC000594437472 345630444 /nfs/dbraw/zinc/63/04/44/345630444.db2.gz NPFDKOOFWKXBFD-AWEZNQCLSA-N 0 3 271.364 2.295 20 30 CEEDHN N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(Cl)cc1[O-] ZINC000594437951 345630561 /nfs/dbraw/zinc/63/05/61/345630561.db2.gz YBTJHBKZSBQPGD-JTQLQIEISA-N 0 3 281.743 2.395 20 30 CEEDHN Cc1cnc([C@@H](C)NC(=O)[C@H](N)CCCCC#N)s1 ZINC000594437515 345630579 /nfs/dbraw/zinc/63/05/79/345630579.db2.gz CRAQNCYGWZGTSM-GHMZBOCLSA-N 0 3 280.397 2.040 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000594441794 345631248 /nfs/dbraw/zinc/63/12/48/345631248.db2.gz WULFZKYVQRBSFL-OAHLLOKOSA-N 0 3 297.362 2.222 20 30 CEEDHN CC[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594443437 345631851 /nfs/dbraw/zinc/63/18/51/345631851.db2.gz HNOIGYLSEZQLCE-MCIONIFRSA-N 0 3 265.401 2.483 20 30 CEEDHN C[C@@H]1CCN(C(=O)[C@@H](N)CCCCC#N)CC1(C)C ZINC000594442747 345632049 /nfs/dbraw/zinc/63/20/49/345632049.db2.gz JADBUFQILPHHBZ-OLZOCXBDSA-N 0 3 265.401 2.292 20 30 CEEDHN CC[C@H](NC(=O)[C@@H](N)CCCCC#N)c1c(C)noc1C ZINC000594442732 345632202 /nfs/dbraw/zinc/63/22/02/345632202.db2.gz INMMJJNHFJTOTO-STQMWFEESA-N 0 3 292.383 2.270 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCC1(C2CC2)CCC1 ZINC000594442718 345632207 /nfs/dbraw/zinc/63/22/07/345632207.db2.gz IFBOOJYSRLYORT-CYBMUJFWSA-N 0 3 263.385 2.094 20 30 CEEDHN CC1(C)CCC(NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594447853 345633405 /nfs/dbraw/zinc/63/34/05/345633405.db2.gz WAPRNZMEEXYYAU-CYBMUJFWSA-N 0 3 265.401 2.483 20 30 CEEDHN CC(C)(C#N)c1ccc(CNC[C@H]2CCCC(=O)N2)cc1 ZINC000594522219 345643621 /nfs/dbraw/zinc/64/36/21/345643621.db2.gz JQMMWLPKRUCRLA-OAHLLOKOSA-N 0 3 285.391 2.246 20 30 CEEDHN N#Cc1csc(CN[C@@H]2CCCN3CCCC[C@@H]23)n1 ZINC000594523302 345643637 /nfs/dbraw/zinc/64/36/37/345643637.db2.gz PLANOUNNHBGNFG-OLZOCXBDSA-N 0 3 276.409 2.121 20 30 CEEDHN CN(Cc1ccccc1)[C@H]1CCN(c2ccnc(C#N)n2)C1 ZINC000594554559 345647324 /nfs/dbraw/zinc/64/73/24/345647324.db2.gz ZOGYDIAGPAUITE-HNNXBMFYSA-N 0 3 293.374 2.059 20 30 CEEDHN CC[C@H](C)CCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000594710932 345676671 /nfs/dbraw/zinc/67/66/71/345676671.db2.gz JVCZFIKHKITWHL-FZMZJTMJSA-N 0 3 259.353 2.110 20 30 CEEDHN C=CCOCCCN[C@@H](C)c1cc(C(=O)OC)co1 ZINC000595079712 345740059 /nfs/dbraw/zinc/74/00/59/345740059.db2.gz XYYSXIXQJJFSCZ-NSHDSACASA-N 0 3 267.325 2.310 20 30 CEEDHN Cn1ncc(C2CC2)c1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000595075368 345740186 /nfs/dbraw/zinc/74/01/86/345740186.db2.gz AGZIVQANVQGOCK-YPMHNXCESA-N 0 3 258.369 2.469 20 30 CEEDHN CN(C[C@H]1CCc2ccccc21)C(=O)[C@H](N)CCCC#N ZINC000595260068 345750815 /nfs/dbraw/zinc/75/08/15/345750815.db2.gz TWLWTXHTWQSDGH-GDBMZVCRSA-N 0 3 285.391 2.196 20 30 CEEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)C1CCC(F)CC1 ZINC000595260147 345750874 /nfs/dbraw/zinc/75/08/74/345750874.db2.gz WHOQXEJFRBXTAD-IKWCTNDRSA-N 0 3 269.364 2.041 20 30 CEEDHN CC(C)CN1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595285228 345754008 /nfs/dbraw/zinc/75/40/08/345754008.db2.gz QUFOXILWNHASLI-UHFFFAOYSA-N 0 3 271.408 2.374 20 30 CEEDHN CC[C@@H]1C[C@@H](NCCOc2ccc(C#N)cc2)CO1 ZINC000594929985 345706136 /nfs/dbraw/zinc/70/61/36/345706136.db2.gz QYXHFNCIAMKKQQ-ZIAGYGMSSA-N 0 3 260.337 2.094 20 30 CEEDHN Cn1ncc(C2CCC2)c1CNCC1(CC#N)CC1 ZINC000594937490 345709524 /nfs/dbraw/zinc/70/95/24/345709524.db2.gz PFYNMSPZTQEBGV-UHFFFAOYSA-N 0 3 258.369 2.471 20 30 CEEDHN COCC[C@@H](COC)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594940354 345710933 /nfs/dbraw/zinc/71/09/33/345710933.db2.gz AFRWGHPGTPWQQD-INIZCTEOSA-N 0 3 288.391 2.383 20 30 CEEDHN COC[C@H](NCc1ccccc1C#N)C1CCOCC1 ZINC000594957065 345715860 /nfs/dbraw/zinc/71/58/60/345715860.db2.gz MDWJUZNPYWPUHW-INIZCTEOSA-N 0 3 274.364 2.089 20 30 CEEDHN C=CCCSCC[NH2+]Cc1nc(C)ccc1[O-] ZINC000594960403 345717396 /nfs/dbraw/zinc/71/73/96/345717396.db2.gz PXGSIKMGJGKPTL-UHFFFAOYSA-N 0 3 252.383 2.495 20 30 CEEDHN C=CCCSCCNCc1ccc(C(=O)NC)cc1 ZINC000594960870 345717425 /nfs/dbraw/zinc/71/74/25/345717425.db2.gz YTJVYBHUXCVYQX-UHFFFAOYSA-N 0 3 278.421 2.445 20 30 CEEDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCc2ccccc2C#N)C1 ZINC000594966449 345719021 /nfs/dbraw/zinc/71/90/21/345719021.db2.gz RXAQHYHTFBKTFF-XKQJLSEDSA-N 0 3 288.391 2.214 20 30 CEEDHN N#Cc1csc(CNCCO[C@H]2CC2(F)F)c1 ZINC000594969999 345719729 /nfs/dbraw/zinc/71/97/29/345719729.db2.gz CJBNQJMWIHMYRU-JTQLQIEISA-N 0 3 258.293 2.134 20 30 CEEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595029523 345731035 /nfs/dbraw/zinc/73/10/35/345731035.db2.gz YYXOEUGWSHKBTM-NWDGAFQWSA-N 0 3 294.351 2.439 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2cnc(C(F)(F)F)nc2)C1 ZINC000595060755 345737382 /nfs/dbraw/zinc/73/73/82/345737382.db2.gz OXKLNHFSUIQROC-SCZZXKLOSA-N 0 3 270.258 2.277 20 30 CEEDHN CC[C@@H](C)N(CC)CC(=O)N(CC)C[C@H](C)C#N ZINC000595593358 345820580 /nfs/dbraw/zinc/82/05/80/345820580.db2.gz OSDWNJCWFDFJQQ-CHWSQXEVSA-N 0 3 253.390 2.115 20 30 CEEDHN CC[C@H](C)N(CC)CC(=O)NCc1ccc(C#N)cc1 ZINC000595593064 345820654 /nfs/dbraw/zinc/82/06/54/345820654.db2.gz MWSODJXUCMUQRX-ZDUSSCGKSA-N 0 3 273.380 2.295 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](Cn2ccnn2)C1 ZINC000595604821 345824010 /nfs/dbraw/zinc/82/40/10/345824010.db2.gz DLXDDWZMLJJQJQ-HIFRSBDPSA-N 0 3 281.363 2.233 20 30 CEEDHN CC(C)[C@H](N[C@@H]1CC[C@@H](C#N)C1)[C@H](O)C(F)(F)F ZINC000595482522 345793214 /nfs/dbraw/zinc/79/32/14/345793214.db2.gz PGORNXMNALFIBY-ZNSHCXBVSA-N 0 3 264.291 2.216 20 30 CEEDHN C=CCSCCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000595493570 345795271 /nfs/dbraw/zinc/79/52/71/345795271.db2.gz SMOZYLHTRDOKPC-LBPRGKRZSA-N 0 3 285.457 2.078 20 30 CEEDHN N#CCCOCCN1CCC[C@@H](c2ccccn2)C1 ZINC000595499702 345796307 /nfs/dbraw/zinc/79/63/07/345796307.db2.gz AMHKXDNXPVHELY-CQSZACIVSA-N 0 3 259.353 2.191 20 30 CEEDHN CCN(CCC#N)C(=O)CN[C@@H]1Cc2ccccc2[C@@H]1C ZINC000595706742 345855786 /nfs/dbraw/zinc/85/57/86/345855786.db2.gz JVIFPJAEPSWQSL-XJKSGUPXSA-N 0 3 285.391 2.067 20 30 CEEDHN N#CC[C@@H]1CCCN(C[C@@H](O)Cc2ccccc2)C1 ZINC000595619425 345829737 /nfs/dbraw/zinc/82/97/37/345829737.db2.gz ASUMBVFKUFAQST-HOTGVXAUSA-N 0 3 258.365 2.216 20 30 CEEDHN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(CCCCC#N)C1 ZINC000595628941 345832602 /nfs/dbraw/zinc/83/26/02/345832602.db2.gz MBXLSICYPAIRJY-MNOVXSKESA-N 0 3 292.301 2.354 20 30 CEEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000595659153 345839950 /nfs/dbraw/zinc/83/99/50/345839950.db2.gz LGLNZAZCDFAKPX-KBPBESRZSA-N 0 3 295.427 2.145 20 30 CEEDHN C=CC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595659157 345840436 /nfs/dbraw/zinc/84/04/36/345840436.db2.gz LHCXRIDTDBZWCU-GFCCVEGCSA-N 0 3 264.329 2.079 20 30 CEEDHN CC(C)CC1(N[C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000595829972 345888529 /nfs/dbraw/zinc/88/85/29/345888529.db2.gz BWCRXNKLLAUJEB-GFCCVEGCSA-N 0 3 263.385 2.106 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@@](O)(C3CC3)C2)c1 ZINC000595750167 345865811 /nfs/dbraw/zinc/86/58/11/345865811.db2.gz POPYDNLUJUODHJ-INIZCTEOSA-N 0 3 256.349 2.295 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)N2Cc3ccc(C#N)cc3C2)C1 ZINC000595800889 345878612 /nfs/dbraw/zinc/87/86/12/345878612.db2.gz SOTYZUKZDMEXPG-MRXNPFEDSA-N 0 3 298.390 2.068 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595857678 345899356 /nfs/dbraw/zinc/89/93/56/345899356.db2.gz MYRSRKCEBIGELX-PBNFFQIGSA-N 0 3 263.385 2.010 20 30 CEEDHN CCc1ccc([C@@H](CNc2cc(C#N)cnn2)N(C)C)cc1 ZINC000596056098 345929661 /nfs/dbraw/zinc/92/96/61/345929661.db2.gz XXRUUDILVBELSD-MRXNPFEDSA-N 0 3 295.390 2.047 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N(C)C[C@@H]1CCc2ccccc21 ZINC000595880852 345905365 /nfs/dbraw/zinc/90/53/65/345905365.db2.gz PGHJSCXHTBQLIP-HOCLYGCPSA-N 0 3 299.418 2.409 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCC(C2CCC2)CC1 ZINC000595938568 345915368 /nfs/dbraw/zinc/91/53/68/345915368.db2.gz OOYMSZQQBUYRPD-HNNXBMFYSA-N 0 3 277.412 2.436 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000595945556 345916766 /nfs/dbraw/zinc/91/67/66/345916766.db2.gz GKRXDCLYVOEFRP-LSDHHAIUSA-N 0 3 277.412 2.436 20 30 CEEDHN CC1(C)C[C@]1(NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000595991622 345921224 /nfs/dbraw/zinc/92/12/24/345921224.db2.gz DZTTWLKUZVBBDF-PBHICJAKSA-N 0 3 285.391 2.449 20 30 CEEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2cc(C#N)cnn2)C1 ZINC000596088280 345937093 /nfs/dbraw/zinc/93/70/93/345937093.db2.gz JTHAPXHAKWSISZ-CZUORRHYSA-N 0 3 293.374 2.018 20 30 CEEDHN N#Cc1cc2cccnc2nc1N[C@@H]1CCN(C2CC2)C1 ZINC000596091479 345937978 /nfs/dbraw/zinc/93/79/78/345937978.db2.gz KVGVZHVUHDQADF-CYBMUJFWSA-N 0 3 279.347 2.150 20 30 CEEDHN C[C@@H](CCO)C1(CNCc2cccc(C#N)n2)CCC1 ZINC000602583245 347088833 /nfs/dbraw/zinc/08/88/33/347088833.db2.gz VYWJYJRYCRWDAA-ZDUSSCGKSA-N 0 3 273.380 2.232 20 30 CEEDHN C[C@@H]1C[C@H](Nc2nc3ncccc3cc2C#N)CCN1C ZINC000596145208 345951272 /nfs/dbraw/zinc/95/12/72/345951272.db2.gz ISSABTCITNGTEM-BXUZGUMPSA-N 0 3 281.363 2.396 20 30 CEEDHN CCN1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000596267930 345986492 /nfs/dbraw/zinc/98/64/92/345986492.db2.gz ADXFIEWAHHJTCZ-LBPRGKRZSA-N 0 3 288.351 2.387 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000596306962 345995394 /nfs/dbraw/zinc/99/53/94/345995394.db2.gz KBCFKQCDYSOYOQ-SNVBAGLBSA-N 0 3 278.787 2.313 20 30 CEEDHN CCOC[C@@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000127517458 187313379 /nfs/dbraw/zinc/31/33/79/187313379.db2.gz QXTTZWNUAQVPOA-WBVHZDCISA-N 0 3 288.391 2.340 20 30 CEEDHN C=CCCSCCNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000596721317 346080158 /nfs/dbraw/zinc/08/01/58/346080158.db2.gz HTIDUNRNCGBRBE-CQSZACIVSA-N 0 3 297.468 2.174 20 30 CEEDHN C[C@@H](CC#N)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000596730144 346081853 /nfs/dbraw/zinc/08/18/53/346081853.db2.gz SUOUSKDAJABVOE-HOCLYGCPSA-N 0 3 285.391 2.489 20 30 CEEDHN CC1(C)Cc2n[nH]cc2CN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000596597682 346062380 /nfs/dbraw/zinc/06/23/80/346062380.db2.gz XCQIAIFITWZOPW-YPMHNXCESA-N 0 3 258.369 2.486 20 30 CEEDHN COc1ccc(CN2CCCc3[nH]ncc3C2)cc1C#N ZINC000596597698 346062459 /nfs/dbraw/zinc/06/24/59/346062459.db2.gz XNAGDPFYVHTTTR-UHFFFAOYSA-N 0 3 282.347 2.238 20 30 CEEDHN CC1(C)Cc2n[nH]cc2CN([C@H]2CC[C@H](C#N)C2)C1 ZINC000596597679 346062493 /nfs/dbraw/zinc/06/24/93/346062493.db2.gz XCQIAIFITWZOPW-AAEUAGOBSA-N 0 3 258.369 2.486 20 30 CEEDHN N#CC1(c2ccc(CN3CC[C@@H](n4cncn4)C3)cc2)CC1 ZINC000597085489 346126964 /nfs/dbraw/zinc/12/69/64/346126964.db2.gz IYYWUXVZKQUJFD-MRXNPFEDSA-N 0 3 293.374 2.280 20 30 CEEDHN COC[C@H](CC1CCOCC1)NCC1(C#N)CCCC1 ZINC000597159362 346138397 /nfs/dbraw/zinc/13/83/97/346138397.db2.gz ZDEAXOKIKNVHDD-HNNXBMFYSA-N 0 3 280.412 2.492 20 30 CEEDHN N#Cc1csc(CN2CCCc3[nH]ncc3C2)c1 ZINC000597258113 346164102 /nfs/dbraw/zinc/16/41/02/346164102.db2.gz LCZBRWHCANTGSX-UHFFFAOYSA-N 0 3 258.350 2.291 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)C(C)(C)CO ZINC000597575944 346202995 /nfs/dbraw/zinc/20/29/95/346202995.db2.gz AOVHDNANHIWRGH-DGCLKSJQSA-N 0 3 260.337 2.022 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ncc[nH]1 ZINC000597685097 346215146 /nfs/dbraw/zinc/21/51/46/346215146.db2.gz QQPVHNAYMWRKLD-OCCSQVGLSA-N 0 3 282.347 2.359 20 30 CEEDHN CN1C[C@@H]2CCN(C(=O)CC3(C#N)CCCCC3)[C@@H]2C1 ZINC000597689726 346215621 /nfs/dbraw/zinc/21/56/21/346215621.db2.gz QQCGRSXPJHZTOS-UONOGXRCSA-N 0 3 275.396 2.013 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1cccs1)C1(CO)CCC1 ZINC000597852711 346238257 /nfs/dbraw/zinc/23/82/57/346238257.db2.gz OBQOWGPHMNDDAI-JQWIXIFHSA-N 0 3 278.377 2.228 20 30 CEEDHN C[C@H](C(=O)NCCc1ccc(C#N)cc1)N1[C@H](C)CC[C@@H]1C ZINC000597891566 346246659 /nfs/dbraw/zinc/24/66/59/346246659.db2.gz OIGXJFOXXUJNHK-QLFBSQMISA-N 0 3 299.418 2.478 20 30 CEEDHN C[C@H](C(=O)N1CCC[C@H](CC#N)C1)N1CCCCCC1 ZINC000597914431 346252364 /nfs/dbraw/zinc/25/23/64/346252364.db2.gz VZNDVIQJJBEOFR-HUUCEWRRSA-N 0 3 277.412 2.403 20 30 CEEDHN CC(C)[C@H](O)[C@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000598354595 346335429 /nfs/dbraw/zinc/33/54/29/346335429.db2.gz XMLLHNILJWRRTL-BNOWGMLFSA-N 0 3 260.337 2.020 20 30 CEEDHN CCCN1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000598344068 346332165 /nfs/dbraw/zinc/33/21/65/346332165.db2.gz ZNLXRWOANASIJM-INIZCTEOSA-N 0 3 297.402 2.456 20 30 CEEDHN CC(C#N)C(=O)N1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC000598228671 346310970 /nfs/dbraw/zinc/31/09/70/346310970.db2.gz VSEBLYQZBXXVDQ-RNCFNFMXSA-N 0 3 280.274 2.024 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)C1(C#N)CC(C)C1 ZINC000598264992 346316918 /nfs/dbraw/zinc/31/69/18/346316918.db2.gz RWPNLZFYAZWSLY-NPCAHTBFSA-N 0 3 277.412 2.163 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC2(COC2)C1 ZINC000598403639 346346060 /nfs/dbraw/zinc/34/60/60/346346060.db2.gz HMKHIUJGJXQYTI-OAHLLOKOSA-N 0 3 284.359 2.008 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000598572356 346376222 /nfs/dbraw/zinc/37/62/22/346376222.db2.gz IIBQZIUBVXONNY-CMPLNLGQSA-N 0 3 280.368 2.020 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN(Cc1ccccn1)C1CC1 ZINC000598598574 346380897 /nfs/dbraw/zinc/38/08/97/346380897.db2.gz BQWDRVIKQBYGEG-OAHLLOKOSA-N 0 3 273.380 2.347 20 30 CEEDHN CN(C)c1cccc(CN(C)C[C@H](O)CC(C)(C)C#N)c1 ZINC000598596902 346381204 /nfs/dbraw/zinc/38/12/04/346381204.db2.gz BDIGZHCWYAVNBV-MRXNPFEDSA-N 0 3 289.423 2.485 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN[C@@H](c1cccnc1)C1CC1 ZINC000598604786 346382562 /nfs/dbraw/zinc/38/25/62/346382562.db2.gz WWVDODTWPIHFCZ-LSDHHAIUSA-N 0 3 273.380 2.423 20 30 CEEDHN C[C@@H]1Oc2ccccc2[C@H]1NC[C@H](O)CC(C)(C)C#N ZINC000598726813 346409679 /nfs/dbraw/zinc/40/96/79/346409679.db2.gz CAVGGMYHDGWORT-ZOWXZIJZSA-N 0 3 274.364 2.399 20 30 CEEDHN COc1ccc(OC)c(CNC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598699222 346403125 /nfs/dbraw/zinc/40/31/25/346403125.db2.gz CXTMBKCFIRIPNJ-ZDUSSCGKSA-N 0 3 292.379 2.094 20 30 CEEDHN CC(C)Oc1ccc(CNC[C@H](O)CC(C)(C)C#N)cn1 ZINC000598715468 346406671 /nfs/dbraw/zinc/40/66/71/346406671.db2.gz RDVSDBDMNGKKCL-CQSZACIVSA-N 0 3 291.395 2.259 20 30 CEEDHN Cc1cccc2nc(CNC[C@@H](O)CC(C)(C)C#N)cn21 ZINC000598721653 346408009 /nfs/dbraw/zinc/40/80/09/346408009.db2.gz WVKXBICBKGANCK-AWEZNQCLSA-N 0 3 286.379 2.033 20 30 CEEDHN Cc1cccc([C@H]2CCCN2C(=O)[C@H](N)CCCC#N)n1 ZINC000598665522 346396307 /nfs/dbraw/zinc/39/63/07/346396307.db2.gz PUGSJBAMJZFXMG-UKRRQHHQSA-N 0 3 286.379 2.075 20 30 CEEDHN C=CCSCCNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000598979494 346441588 /nfs/dbraw/zinc/44/15/88/346441588.db2.gz XNSHBEYPLXXRNA-CQSZACIVSA-N 0 3 297.468 2.222 20 30 CEEDHN Cc1ccc(CN2C[C@@H](C)N(C)C[C@@H]2C)cc1C#N ZINC000599340891 346502679 /nfs/dbraw/zinc/50/26/79/346502679.db2.gz AYGKVLVWTQLSEP-KGLIPLIRSA-N 0 3 257.381 2.391 20 30 CEEDHN Cc1ccc(CN2CCN(C)[C@H](C)[C@@H]2C)cc1C#N ZINC000599346390 346503371 /nfs/dbraw/zinc/50/33/71/346503371.db2.gz IRTWEAIGGWNADJ-KGLIPLIRSA-N 0 3 257.381 2.391 20 30 CEEDHN COC[C@H](NCc1ccc(C)c(C#N)c1)[C@@H]1CCCO1 ZINC000599393062 346513303 /nfs/dbraw/zinc/51/33/03/346513303.db2.gz COXRVUGRPXSUFI-HOTGVXAUSA-N 0 3 274.364 2.150 20 30 CEEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccsc1 ZINC000599400852 346513754 /nfs/dbraw/zinc/51/37/54/346513754.db2.gz FYCCIENFSWVNPB-PWSUYJOCSA-N 0 3 250.367 2.453 20 30 CEEDHN CN(C(=O)[C@@H]1CNCc2ccccc21)[C@@H]1CCC[C@H]1C#N ZINC000602602473 347095310 /nfs/dbraw/zinc/09/53/10/347095310.db2.gz MVVUQVKTUQFARZ-APHBMKBZSA-N 0 3 283.375 2.024 20 30 CEEDHN CN(C(=O)[C@@H]1CNCc2ccccc21)[C@H]1CCC[C@H]1C#N ZINC000602602476 347095373 /nfs/dbraw/zinc/09/53/73/347095373.db2.gz MVVUQVKTUQFARZ-MAZHCROVSA-N 0 3 283.375 2.024 20 30 CEEDHN CCN1CCCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599281322 346489632 /nfs/dbraw/zinc/48/96/32/346489632.db2.gz ICIGJFLONUFHEM-UHFFFAOYSA-N 0 3 257.381 2.394 20 30 CEEDHN Cc1cc(CN2CCC(N3CCOCC3)CC2)ccc1C#N ZINC000599471840 346526103 /nfs/dbraw/zinc/52/61/03/346526103.db2.gz DGGGZXDDQQKYFI-UHFFFAOYSA-N 0 3 299.418 2.163 20 30 CEEDHN C=CCOCCN1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583207 346542616 /nfs/dbraw/zinc/54/26/16/346542616.db2.gz QMNOVYDEMZDQEF-KGLIPLIRSA-N 0 3 283.412 2.489 20 30 CEEDHN COC(=O)Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000600183613 346617298 /nfs/dbraw/zinc/61/72/98/346617298.db2.gz BNHQNEWBEUKGRP-HUUCEWRRSA-N 0 3 272.348 2.184 20 30 CEEDHN CC(=O)NC[C@@H]1CCCCN1Cc1ccc(CC#N)cc1 ZINC000599690246 346568500 /nfs/dbraw/zinc/56/85/00/346568500.db2.gz MBUJAFGESDTJMG-KRWDZBQOSA-N 0 3 285.391 2.243 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000600538333 346651842 /nfs/dbraw/zinc/65/18/42/346651842.db2.gz WMCMBBYCMKJQME-GXSJLCMTSA-N 0 3 295.745 2.334 20 30 CEEDHN N#CCC[C@H](C#N)CNC[C@H]1CCN1C1CCCC1 ZINC000600614273 346662734 /nfs/dbraw/zinc/66/27/34/346662734.db2.gz RBAJZXILZHCCKZ-UKRRQHHQSA-N 0 3 260.385 2.036 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H]1CCOC[C@H]1C ZINC000336810135 365848749 /nfs/dbraw/zinc/84/87/49/365848749.db2.gz YMECCYTVAYFFSF-RISCZKNCSA-N 0 3 260.337 2.081 20 30 CEEDHN N#C[C@H]1CC[C@@H](n2cc(COc3ccccc3CN)nn2)C1 ZINC000600972687 346723295 /nfs/dbraw/zinc/72/32/95/346723295.db2.gz COBYYWVJOFMJPQ-SWLSCSKDSA-N 0 3 297.362 2.181 20 30 CEEDHN C[C@@H](C1CC1)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000600983266 346726152 /nfs/dbraw/zinc/72/61/52/346726152.db2.gz JHBPOMDWBZETEI-LRDDRELGSA-N 0 3 281.359 2.497 20 30 CEEDHN N#CC1(C[C@H](O)CNCc2ccc(Cl)cc2)CC1 ZINC000600713600 346676757 /nfs/dbraw/zinc/67/67/57/346676757.db2.gz JWXRDCRJQUNONU-ZDUSSCGKSA-N 0 3 264.756 2.484 20 30 CEEDHN CO[C@H]1C[C@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000600772727 346687349 /nfs/dbraw/zinc/68/73/49/346687349.db2.gz OXVURRFIEAMYDO-KKUMJFAQSA-N 0 3 272.348 2.053 20 30 CEEDHN COc1ccc([C@H]2CCN(C(=O)C(C)C#N)C2)cc1F ZINC000600775688 346687684 /nfs/dbraw/zinc/68/76/84/346687684.db2.gz NJYNHOOVJQRECG-JQWIXIFHSA-N 0 3 276.311 2.310 20 30 CEEDHN N#Cc1ccc(-c2ccc([C@H]3CNCCO3)cc2)c(CO)c1 ZINC000600780360 346689358 /nfs/dbraw/zinc/68/93/58/346689358.db2.gz LMFKZSPIIPFKIB-GOSISDBHSA-N 0 3 294.354 2.378 20 30 CEEDHN CN(CC(=O)N1CCCC(C)(C)[C@H]1C#N)C1CCC1 ZINC000600824600 346697444 /nfs/dbraw/zinc/69/74/44/346697444.db2.gz DIEUSKFAIQTWPE-CYBMUJFWSA-N 0 3 263.385 2.011 20 30 CEEDHN CC[C@H]1CN(CC)CCN1c1cc(C#N)cc(C)n1 ZINC000601170591 346776546 /nfs/dbraw/zinc/77/65/46/346776546.db2.gz BPLIVRBTAIBSFQ-AWEZNQCLSA-N 0 3 258.369 2.182 20 30 CEEDHN CC(C)CN1C[C@H]2CN(C[C@@H](C)CCC#N)CCN2C1=O ZINC000602640198 347117890 /nfs/dbraw/zinc/11/78/90/347117890.db2.gz KRCCQRVLCRHVIG-LSDHHAIUSA-N 0 3 292.427 2.004 20 30 CEEDHN Cc1ccncc1N1CCN(C[C@H](C)CCC#N)CC1 ZINC000602647801 347123114 /nfs/dbraw/zinc/12/31/14/347123114.db2.gz NPZMGTNBLFAFJX-CQSZACIVSA-N 0 3 272.396 2.452 20 30 CEEDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1cccc(C#N)n1 ZINC000602676082 347138446 /nfs/dbraw/zinc/13/84/46/347138446.db2.gz CBTHORUDCRFNNK-CABCVRRESA-N 0 3 287.363 2.165 20 30 CEEDHN CO[C@@H]1C[C@H](N(C)Cc2cccc(C#N)n2)C12CCC2 ZINC000602680219 347141141 /nfs/dbraw/zinc/14/11/41/347141141.db2.gz KCJFXVSQVGYTHV-LSDHHAIUSA-N 0 3 271.364 2.343 20 30 CEEDHN CC(C)[C@@H](CO)[C@@H](NCc1cccc(C#N)n1)C(C)C ZINC000602684669 347144615 /nfs/dbraw/zinc/14/46/15/347144615.db2.gz IKZYITPUUZYJOU-CVEARBPZSA-N 0 3 275.396 2.332 20 30 CEEDHN CC1(C)[C@H](CNCc2cccc(C#N)n2)C1(F)F ZINC000602715211 347166378 /nfs/dbraw/zinc/16/63/78/347166378.db2.gz XVIXXMXCMSSLPZ-NSHDSACASA-N 0 3 251.280 2.334 20 30 CEEDHN COC(=O)c1ccc(CNC[C@H](C)CCC#N)o1 ZINC000602655968 347126779 /nfs/dbraw/zinc/12/67/79/347126779.db2.gz JMKDGTDUSAYDQJ-SNVBAGLBSA-N 0 3 250.298 2.096 20 30 CEEDHN N#CCC1(CN(Cc2ccc(C(N)=O)cc2)C2CC2)CC1 ZINC000602767649 347189722 /nfs/dbraw/zinc/18/97/22/347189722.db2.gz RVKWUCYPGQXAPO-UHFFFAOYSA-N 0 3 283.375 2.444 20 30 CEEDHN CN(C)C(=O)C[C@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000602804507 347206564 /nfs/dbraw/zinc/20/65/64/347206564.db2.gz HMBBKWXTMCYDHL-HNNXBMFYSA-N 0 3 285.391 2.489 20 30 CEEDHN Cc1cccc2c1C[C@@H](NCc1cccc(C#N)n1)CO2 ZINC000602720451 347170044 /nfs/dbraw/zinc/17/00/44/347170044.db2.gz HGDFXMIGRUPBJL-OAHLLOKOSA-N 0 3 279.343 2.355 20 30 CEEDHN C[C@H](CCC#N)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602733777 347177967 /nfs/dbraw/zinc/17/79/67/347177967.db2.gz VQMSDPODZDJNGA-DOMZBBRYSA-N 0 3 291.351 2.332 20 30 CEEDHN C=C(C)CN[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000128485027 187373591 /nfs/dbraw/zinc/37/35/91/187373591.db2.gz KQZNHWGWXQOLKI-LBPRGKRZSA-N 0 3 282.409 2.164 20 30 CEEDHN CC(C)(CO)[C@@H](NCC1(CC#N)CC1)c1cccnc1 ZINC000602832506 347217242 /nfs/dbraw/zinc/21/72/42/347217242.db2.gz NSSUQVKDTUPZTQ-AWEZNQCLSA-N 0 3 273.380 2.425 20 30 CEEDHN CN1CCN(C[C@@H](C#N)CCC#N)C[C@@H]1C(C)(C)C ZINC000602873562 347233662 /nfs/dbraw/zinc/23/36/62/347233662.db2.gz KZCLECZZRJCNRN-ZIAGYGMSSA-N 0 3 262.401 2.092 20 30 CEEDHN N#CCCOCCN1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602885267 347238165 /nfs/dbraw/zinc/23/81/65/347238165.db2.gz FBNBCYBCEAQXCC-OAHLLOKOSA-N 0 3 296.374 2.349 20 30 CEEDHN N#Cc1ccc(C2CCN(CCn3cccn3)CC2)nc1 ZINC000602906662 347243355 /nfs/dbraw/zinc/24/33/55/347243355.db2.gz LYLGUMKKPRHYLI-UHFFFAOYSA-N 0 3 281.363 2.029 20 30 CEEDHN COC(=O)[C@@H]1CCN(CC2(CC#N)CC2)[C@@H]2CCC[C@H]21 ZINC000602913781 347245453 /nfs/dbraw/zinc/24/54/53/347245453.db2.gz AFCRDYDOJWRZGG-BFHYXJOUSA-N 0 3 276.380 2.344 20 30 CEEDHN N#Cc1cc(NC(=O)NC[C@H]2CCN2C2CCCC2)ccn1 ZINC000603118049 347290263 /nfs/dbraw/zinc/29/02/63/347290263.db2.gz FEYZEWDZZCDARE-OAHLLOKOSA-N 0 3 299.378 2.092 20 30 CEEDHN N#Cc1cc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)ccn1 ZINC000603125871 347291850 /nfs/dbraw/zinc/29/18/50/347291850.db2.gz KFVGCXBSXJYRCH-CABCVRRESA-N 0 3 299.378 2.092 20 30 CEEDHN CN(C[C@H]1CCCN1C)c1c(C#N)cnn1-c1ccccc1 ZINC000603395709 347358296 /nfs/dbraw/zinc/35/82/96/347358296.db2.gz IRYRKYQEBLLUJY-MRXNPFEDSA-N 0 3 295.390 2.274 20 30 CEEDHN CN(C)C1(CNc2cc(C#N)c(Br)cn2)CC1 ZINC000603396654 347358312 /nfs/dbraw/zinc/35/83/12/347358312.db2.gz BIDWCEHDBNBYCV-UHFFFAOYSA-N 0 3 295.184 2.222 20 30 CEEDHN N#C[C@H](c1ccccc1)n1cc(CNC2CCCC2)nn1 ZINC000603220728 347312672 /nfs/dbraw/zinc/31/26/72/347312672.db2.gz HBWCOUTUESNTLC-MRXNPFEDSA-N 0 3 281.363 2.423 20 30 CEEDHN N#CCc1ccc(Cn2cc(CNC3CCCC3)nn2)cc1 ZINC000603222895 347313984 /nfs/dbraw/zinc/31/39/84/347313984.db2.gz PNAQWHGCCLNFOX-UHFFFAOYSA-N 0 3 295.390 2.425 20 30 CEEDHN CCC[C@H](N)c1cn(CCCC2(C#N)CCOCC2)nn1 ZINC000603232138 347317224 /nfs/dbraw/zinc/31/72/24/347317224.db2.gz DQIADNWZLQTRQI-ZDUSSCGKSA-N 0 3 291.399 2.179 20 30 CEEDHN CC[C@](C)(N)c1cn(CCCOc2cccc(C#N)c2)nn1 ZINC000603242671 347319992 /nfs/dbraw/zinc/31/99/92/347319992.db2.gz PJKUHJOUIZWVEK-INIZCTEOSA-N 0 3 299.378 2.203 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CSC(C)C)CC1 ZINC000609266642 347632963 /nfs/dbraw/zinc/63/29/63/347632963.db2.gz UALIMWWMSHUUNL-UHFFFAOYSA-N 0 3 270.442 2.285 20 30 CEEDHN CC(C#N)C(=O)N1CCCO[C@@H](c2ccccc2)C1 ZINC000609921470 347656551 /nfs/dbraw/zinc/65/65/51/347656551.db2.gz ZVQLYPAUGGZERE-GXTWGEPZSA-N 0 3 258.321 2.136 20 30 CEEDHN C[C@@H](NC1CCN(CC#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610420522 347680225 /nfs/dbraw/zinc/68/02/25/347680225.db2.gz GNCIDNRUPKSAFG-GFCCVEGCSA-N 0 3 288.351 2.233 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610605827 347696198 /nfs/dbraw/zinc/69/61/98/347696198.db2.gz WUPJKQHZCQXCPK-FSDSQADBSA-N 0 3 288.191 2.345 20 30 CEEDHN CCc1ccc([C@@H](C)NC2CCN(CC#N)CC2)o1 ZINC000610813507 347716606 /nfs/dbraw/zinc/71/66/06/347716606.db2.gz JGAWSERXDQTULC-GFCCVEGCSA-N 0 3 261.369 2.481 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611383569 347771358 /nfs/dbraw/zinc/77/13/58/347771358.db2.gz YFZSMBASBBGSPB-MFKMUULPSA-N 0 3 250.298 2.182 20 30 CEEDHN Cc1csc(=O)n1CCN[C@H](C)c1cccc(C#N)c1 ZINC000611388182 347771672 /nfs/dbraw/zinc/77/16/72/347771672.db2.gz YISCTEYGIDUBCN-GFCCVEGCSA-N 0 3 287.388 2.441 20 30 CEEDHN C[C@@H](NCCn1ccccc1=O)c1cccc(C#N)c1 ZINC000611386555 347771917 /nfs/dbraw/zinc/77/19/17/347771917.db2.gz NEVSHSXFHFZFQK-CYBMUJFWSA-N 0 3 267.332 2.071 20 30 CEEDHN CCNC(=O)[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611390361 347772487 /nfs/dbraw/zinc/77/24/87/347772487.db2.gz VWQLQJIXCGDZHO-NHYWBVRUSA-N 0 3 271.364 2.050 20 30 CEEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)[C@H]1CN(C)CCO1 ZINC000611394723 347773452 /nfs/dbraw/zinc/77/34/52/347773452.db2.gz YYDSDAHCUZNEPO-MORSLUCNSA-N 0 3 299.418 2.244 20 30 CEEDHN Cc1ccc(C#N)nc1N1CCN(C2CCCC2)CC1 ZINC000611399043 347774097 /nfs/dbraw/zinc/77/40/97/347774097.db2.gz WGSWKSUWJBPZJT-UHFFFAOYSA-N 0 3 270.380 2.326 20 30 CEEDHN C[C@@H](Cc1cnccn1)NCc1ccc(C#N)cc1F ZINC000610946781 347723797 /nfs/dbraw/zinc/72/37/97/347723797.db2.gz YZBSXEJWPVOTOH-NSHDSACASA-N 0 3 270.311 2.208 20 30 CEEDHN CN1CCN(Cc2ccnc(C#N)c2)C2(CCCCC2)C1 ZINC000610994278 347729764 /nfs/dbraw/zinc/72/97/64/347729764.db2.gz AXQHPPBSMXTUQD-UHFFFAOYSA-N 0 3 284.407 2.404 20 30 CEEDHN CC1=CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000611127305 347742382 /nfs/dbraw/zinc/74/23/82/347742382.db2.gz YHGGPHZLDLNBSX-MRXNPFEDSA-N 0 3 286.375 2.144 20 30 CEEDHN N#Cc1ccc(CN2CCc3ccc(O)cc3CC2)o1 ZINC000611266607 347760175 /nfs/dbraw/zinc/76/01/75/347760175.db2.gz SELZEYPINASQPM-UHFFFAOYSA-N 0 3 268.316 2.458 20 30 CEEDHN N#CCc1ccc(CN2CCN(c3ccncc3)CC2)cc1 ZINC000612092791 347843544 /nfs/dbraw/zinc/84/35/44/347843544.db2.gz XWNRSFYEIPQKHJ-UHFFFAOYSA-N 0 3 292.386 2.470 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)N1CCC[C@](C)(C#N)C1 ZINC000612364690 347874509 /nfs/dbraw/zinc/87/45/09/347874509.db2.gz CCXHCJRTKZMPMO-UKRRQHHQSA-N 0 3 263.385 2.013 20 30 CEEDHN CC(C)(C#N)CNC1CCN(c2nccs2)CC1 ZINC000612584977 347904506 /nfs/dbraw/zinc/90/45/06/347904506.db2.gz LUJVWFFUWCZWDW-UHFFFAOYSA-N 0 3 264.398 2.251 20 30 CEEDHN CC(C)(C#N)CNC1CCN(Cc2ccncc2)CC1 ZINC000612588224 347905119 /nfs/dbraw/zinc/90/51/19/347905119.db2.gz SSFRIFCPDREVIT-UHFFFAOYSA-N 0 3 272.396 2.185 20 30 CEEDHN C[C@@H]1CN(Cc2cc(F)ccc2C#N)[C@H](C)CN1C ZINC000351921530 219247959 /nfs/dbraw/zinc/24/79/59/219247959.db2.gz QXTCJIXUQKYWSM-VXGBXAGGSA-N 0 3 261.344 2.222 20 30 CEEDHN CS[C@H]1CN(Cc2ccc(C#N)cc2C)C[C@@H]1N(C)C ZINC000614403348 348194643 /nfs/dbraw/zinc/19/46/43/348194643.db2.gz SSQFNWQCGVPIDR-HOTGVXAUSA-N 0 3 289.448 2.344 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)N2CC[C@](F)(C#N)C2)c1 ZINC000615526015 348342990 /nfs/dbraw/zinc/34/29/90/348342990.db2.gz MKGCMMBZJUVPBX-HNNXBMFYSA-N 0 3 290.342 2.218 20 30 CEEDHN CCN1CCN(Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000618593798 348990457 /nfs/dbraw/zinc/99/04/57/348990457.db2.gz TUDMBTCBHXNAPO-CQSZACIVSA-N 0 3 257.381 2.393 20 30 CEEDHN COC[C@H](NCc1ccc(C#N)cc1C)[C@H]1CCCO1 ZINC000619060419 349107049 /nfs/dbraw/zinc/10/70/49/349107049.db2.gz VVKQVIZEIDTEHY-JKSUJKDBSA-N 0 3 274.364 2.150 20 30 CEEDHN CC(C)N(C)CC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618892872 349061699 /nfs/dbraw/zinc/06/16/99/349061699.db2.gz RQHKVLQHQSVZCS-OAHLLOKOSA-N 0 3 271.364 2.002 20 30 CEEDHN C[C@H]1CN(Cc2cn3ccccc3c2C#N)C[C@H](C)N1C ZINC000339618310 215270663 /nfs/dbraw/zinc/27/06/63/215270663.db2.gz HNRYJETWAPUDJH-KBPBESRZSA-N 0 3 282.391 2.335 20 30 CEEDHN Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CC[C@@H](C#N)C1 ZINC000619672285 349214628 /nfs/dbraw/zinc/21/46/28/349214628.db2.gz GPEFWOUTFLFTNN-BZUAXINKSA-N 0 3 288.391 2.325 20 30 CEEDHN CN1CCC[C@H](CNc2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000619695632 349219368 /nfs/dbraw/zinc/21/93/68/349219368.db2.gz WBQNHBOCMLZJOK-SNVBAGLBSA-N 0 3 298.312 2.148 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)c1cc(C#N)oc1C ZINC000619551323 349197791 /nfs/dbraw/zinc/19/77/91/349197791.db2.gz MQIKHOPKKBCZBP-LBPRGKRZSA-N 0 3 275.352 2.064 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000623748698 350100875 /nfs/dbraw/zinc/10/08/75/350100875.db2.gz DIXICTHVPFXZEQ-JSGCOSHPSA-N 0 3 279.428 2.371 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)NC2CCN(CC)CC2)C1 ZINC000623705257 350086670 /nfs/dbraw/zinc/08/66/70/350086670.db2.gz ORJHYSXXAJRKIZ-ZDUSSCGKSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000623708286 350087581 /nfs/dbraw/zinc/08/75/81/350087581.db2.gz CFSDOGIYXBEPOI-HIFRSBDPSA-N 0 3 297.468 2.031 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000623725549 350093806 /nfs/dbraw/zinc/09/38/06/350093806.db2.gz BXDKDLCPOCZZAZ-QWHCGFSZSA-N 0 3 265.401 2.077 20 30 CEEDHN C=CCCOCCN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000090883690 180053308 /nfs/dbraw/zinc/05/33/08/180053308.db2.gz VMQAUOMTRYPJMS-CYBMUJFWSA-N 0 3 297.420 2.333 20 30 CEEDHN C=CCCOCCNCc1cc(OC)ccc1OCOC ZINC000271256607 191032459 /nfs/dbraw/zinc/03/24/59/191032459.db2.gz YFSTUKDDARSTBA-UHFFFAOYSA-N 0 3 295.379 2.360 20 30 CEEDHN CC1(C)CN(CCC#N)CCN1Cc1ccccc1 ZINC000104731610 186019951 /nfs/dbraw/zinc/01/99/51/186019951.db2.gz PNOAXHNYTPZLPD-UHFFFAOYSA-N 0 3 257.381 2.496 20 30 CEEDHN CCN1CCCN(Cc2ccc(C#N)cc2F)CC1 ZINC000104952732 186033822 /nfs/dbraw/zinc/03/38/22/186033822.db2.gz NUAMUWADVYVFAL-UHFFFAOYSA-N 0 3 261.344 2.225 20 30 CEEDHN C[C@@H](CNC(=O)N1CCC(C#N)CC1)N1CCC(C)CC1 ZINC000105198556 186045414 /nfs/dbraw/zinc/04/54/14/186045414.db2.gz RYFCHIBUKLNCDH-AWEZNQCLSA-N 0 3 292.427 2.052 20 30 CEEDHN C=CCSCCNCc1ccc(OC)c(O)c1 ZINC000105462498 186059176 /nfs/dbraw/zinc/05/91/76/186059176.db2.gz GDSYEDDJTZBTEB-UHFFFAOYSA-N 0 3 253.367 2.410 20 30 CEEDHN Cn1nccc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000624443424 350286489 /nfs/dbraw/zinc/28/64/89/350286489.db2.gz OJXAHBYUIQDTAY-LBPRGKRZSA-N 0 3 276.299 2.458 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cccc3c[nH]nc32)CC1 ZINC000106037207 186099303 /nfs/dbraw/zinc/09/93/03/186099303.db2.gz PXMUYFQBIOGEJE-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CSCCC)CC1 ZINC000106040827 186099707 /nfs/dbraw/zinc/09/97/07/186099707.db2.gz FWHRARNLPONTGJ-UHFFFAOYSA-N 0 3 270.442 2.286 20 30 CEEDHN C=CCN(C[C@H](O)COc1ccc(F)cc1)C1CC1 ZINC000271377399 191106903 /nfs/dbraw/zinc/10/69/03/191106903.db2.gz HXJIJHWXBWZBOE-AWEZNQCLSA-N 0 3 265.328 2.216 20 30 CEEDHN C=CC[C@H]1CCN(CCn2cnc3ccccc3c2=O)C1 ZINC000625703510 350551681 /nfs/dbraw/zinc/55/16/81/350551681.db2.gz LMIPDWHWRKTXSD-AWEZNQCLSA-N 0 3 283.375 2.295 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000625772446 350565731 /nfs/dbraw/zinc/56/57/31/350565731.db2.gz WSYWKPXNABQDAQ-KGLIPLIRSA-N 0 3 282.453 2.381 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000108710252 186228560 /nfs/dbraw/zinc/22/85/60/186228560.db2.gz MDUPEWCZPKBRPO-UHFFFAOYSA-N 0 3 260.312 2.109 20 30 CEEDHN N#Cc1cccc(C(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000110250437 186288921 /nfs/dbraw/zinc/28/89/21/186288921.db2.gz AWCOTHCIZQDXHT-INIZCTEOSA-N 0 3 283.375 2.259 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000627085987 350829853 /nfs/dbraw/zinc/82/98/53/350829853.db2.gz COTMOYRMZDOICL-CYBMUJFWSA-N 0 3 285.391 2.397 20 30 CEEDHN C=CC1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000111259497 186380065 /nfs/dbraw/zinc/38/00/65/186380065.db2.gz CIJTYWWHMXDGBT-HNNXBMFYSA-N 0 3 279.355 2.463 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1oc(C)nc1C ZINC000628258438 351030972 /nfs/dbraw/zinc/03/09/72/351030972.db2.gz FDGFCOJLOJWUAB-JSGCOSHPSA-N 0 3 250.342 2.362 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1cnc2ccccc2n1 ZINC000628318648 351060873 /nfs/dbraw/zinc/06/08/73/351060873.db2.gz OGHAFVNDDBRYNF-LRDDRELGSA-N 0 3 269.348 2.311 20 30 CEEDHN C=CC[C@H]1CCN(Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000628406581 351093893 /nfs/dbraw/zinc/09/38/93/351093893.db2.gz MQRUXCQGRDEUBC-LBPRGKRZSA-N 0 3 272.348 2.416 20 30 CEEDHN C=CC[C@H]1CCN(Cc2ccnn2CCCOC)C1 ZINC000628406326 351093906 /nfs/dbraw/zinc/09/39/06/351093906.db2.gz HOLOUDJVRVZEMQ-AWEZNQCLSA-N 0 3 263.385 2.318 20 30 CEEDHN CC(C#N)C(=O)NCC(=O)c1cccc(Cl)c1Cl ZINC000629005731 351239467 /nfs/dbraw/zinc/23/94/67/351239467.db2.gz IXWHZBZPJLMUAJ-SSDOTTSWSA-N 0 3 285.130 2.452 20 30 CEEDHN C=CC(C)(C)CCN[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000629250893 351310133 /nfs/dbraw/zinc/31/01/33/351310133.db2.gz OOMUGXBKNCMOFX-CQSZACIVSA-N 0 3 278.371 2.414 20 30 CEEDHN C=CCn1cc(-c2ccccc2CN2CCN(C)CC2)cn1 ZINC000629735314 351491783 /nfs/dbraw/zinc/49/17/83/351491783.db2.gz QSTUFYRPRKVPLD-UHFFFAOYSA-N 0 3 296.418 2.484 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000630019071 351586761 /nfs/dbraw/zinc/58/67/61/351586761.db2.gz QYFPFERTFWXFAH-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C(C)CN1CCC(NCc2c(Cl)cnn2C)CC1 ZINC000131298088 366040561 /nfs/dbraw/zinc/04/05/61/366040561.db2.gz DNFONLIDZGGJOI-UHFFFAOYSA-N 0 3 282.819 2.204 20 30 CEEDHN C=C1CC(C)(C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000630567040 351788199 /nfs/dbraw/zinc/78/81/99/351788199.db2.gz HEWKSWUUPROYHZ-UHFFFAOYSA-N 0 3 271.364 2.087 20 30 CEEDHN N#Cc1cccc(OCCCN2CC[C@H](n3cccn3)C2)c1 ZINC000291696248 198060989 /nfs/dbraw/zinc/06/09/89/198060989.db2.gz HRONWKXCBVQDBS-INIZCTEOSA-N 0 3 296.374 2.471 20 30 CEEDHN CN1CC[C@]2(CCN(C(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000291963137 198119410 /nfs/dbraw/zinc/11/94/10/198119410.db2.gz WSIBWXGHZYLNHN-INIZCTEOSA-N 0 3 284.363 2.118 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2(C)CC(=C)C2)CC1 ZINC000630941733 351895568 /nfs/dbraw/zinc/89/55/68/351895568.db2.gz DRYYJIXKKDJUBT-UHFFFAOYSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CC[C@@H](CO)CNCc1ccc(C(F)F)nc1 ZINC000631108541 351966812 /nfs/dbraw/zinc/96/68/12/351966812.db2.gz XTBZOICECKXQRB-LLVKDONJSA-N 0 3 256.296 2.293 20 30 CEEDHN CC(NC(=O)CSc1ccc(C#N)cc1)c1cn[nH]c1 ZINC000339878791 215377223 /nfs/dbraw/zinc/37/72/23/215377223.db2.gz ISOAIJIBVNKIJC-SNVBAGLBSA-N 0 3 286.360 2.251 20 30 CEEDHN CCN(CC)[C@@H](CNc1ccc(C#N)c(N)n1)c1ccco1 ZINC000569137727 299184802 /nfs/dbraw/zinc/18/48/02/299184802.db2.gz GOIKTDCMNUSEGV-ZDUSSCGKSA-N 0 3 299.378 2.045 20 30 CEEDHN C=CC[C@H](CO)N[C@@H]1CCc2c1c(F)ccc2F ZINC000273495057 192174988 /nfs/dbraw/zinc/17/49/88/192174988.db2.gz XNSIIWXVQGSLPW-NOZJJQNGSA-N 0 3 253.292 2.479 20 30 CEEDHN CC(C)COCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292137725 198177871 /nfs/dbraw/zinc/17/78/71/198177871.db2.gz JFVRZDCEPTZQNZ-OAHLLOKOSA-N 0 3 289.379 2.079 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000152949467 188054688 /nfs/dbraw/zinc/05/46/88/188054688.db2.gz SARRSXTVKPPTLP-GXTWGEPZSA-N 0 3 262.397 2.496 20 30 CEEDHN C#CCCCCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000154928335 188171348 /nfs/dbraw/zinc/17/13/48/188171348.db2.gz GNGMTJBRGJKWMO-UHFFFAOYSA-N 0 3 291.395 2.156 20 30 CEEDHN C#CCCCCNC(=O)c1ccc(CN(C)C)cc1 ZINC000156152523 188246250 /nfs/dbraw/zinc/24/62/50/188246250.db2.gz XDHJWDDVAMYKRN-UHFFFAOYSA-N 0 3 258.365 2.282 20 30 CEEDHN CC(C)[C@@H](CO)NCc1ccc(C#N)cc1Br ZINC000156387066 188259146 /nfs/dbraw/zinc/25/91/46/188259146.db2.gz JLGCJGMTTVJFOM-CYBMUJFWSA-N 0 3 297.196 2.427 20 30 CEEDHN CN(CCCSCC#N)CCc1nccs1 ZINC000157630681 188328621 /nfs/dbraw/zinc/32/86/21/188328621.db2.gz UIGXPHLFQWOQGU-UHFFFAOYSA-N 0 3 255.412 2.264 20 30 CEEDHN C=CCC[C@H](NCC(=O)NCCOCC)c1ccccc1 ZINC000271687957 191277888 /nfs/dbraw/zinc/27/78/88/191277888.db2.gz DKDZLBWNZRLLKZ-INIZCTEOSA-N 0 3 290.407 2.436 20 30 CEEDHN C=CCN1CC[C@H](N[C@@H]2[C@H](C)[C@H](OC)C2(CC)CC)C1=O ZINC000337259698 366112374 /nfs/dbraw/zinc/11/23/74/366112374.db2.gz VODJGJAALDYFLU-XQLPTFJDSA-N 0 3 294.439 2.203 20 30 CEEDHN Cn1cc(CN[C@H]2CCC[C@H]2OC(F)F)cc1C#N ZINC000337282233 366122831 /nfs/dbraw/zinc/12/28/31/366122831.db2.gz IEDJEXDTKJPMSO-NWDGAFQWSA-N 0 3 269.295 2.147 20 30 CEEDHN N#Cc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1 ZINC000295259130 199428722 /nfs/dbraw/zinc/42/87/22/199428722.db2.gz HJSUZVFWTHNELP-UHFFFAOYSA-N 0 3 293.374 2.425 20 30 CEEDHN CC(C#N)C(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000337691262 366169063 /nfs/dbraw/zinc/16/90/63/366169063.db2.gz MRNWWWRGUJGDRB-IAQYHMDHSA-N 0 3 292.766 2.317 20 30 CEEDHN N#CC1(c2ccccc2)CC(NCCn2ccnc2)C1 ZINC000086037472 283049599 /nfs/dbraw/zinc/04/95/99/283049599.db2.gz VLVVWUDEHGQPDJ-UHFFFAOYSA-N 0 3 266.348 2.097 20 30 CEEDHN N#CC1(F)CCN(C[C@@H](O)C2CCCCC2)CC1 ZINC000352492384 283047399 /nfs/dbraw/zinc/04/73/99/283047399.db2.gz XLPZYBZAIBBRSL-CYBMUJFWSA-N 0 3 254.349 2.255 20 30 CEEDHN COc1cc(CN2CC[C@@H]3OCC[C@@H]3C2)ccc1C#N ZINC000569848157 299222784 /nfs/dbraw/zinc/22/27/84/299222784.db2.gz ULFUNETZRPFYET-CABCVRRESA-N 0 3 272.348 2.178 20 30 CEEDHN Cc1nccn1CCN[C@H](C)c1cccc(C#N)c1 ZINC000271868036 191379104 /nfs/dbraw/zinc/37/91/04/191379104.db2.gz VMBUZGXZIVCZSG-GFCCVEGCSA-N 0 3 254.337 2.414 20 30 CEEDHN N#Cc1cc(F)c(N2CCN3CCC[C@H]3C2)c(F)c1 ZINC000246217199 283097009 /nfs/dbraw/zinc/09/70/09/283097009.db2.gz YBSLACOTPHKSCJ-NSHDSACASA-N 0 3 263.291 2.121 20 30 CEEDHN N#Cc1ccc(CNC[C@H](O)C(F)F)c(C(F)(F)F)c1 ZINC000352847578 283145968 /nfs/dbraw/zinc/14/59/68/283145968.db2.gz VJWWFRICNKHLKI-JTQLQIEISA-N 0 3 294.223 2.293 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)NCC#Cc1cccc(F)c1 ZINC000338240772 366246837 /nfs/dbraw/zinc/24/68/37/366246837.db2.gz WVZULGIGXHHKHC-KBPBESRZSA-N 0 3 288.366 2.166 20 30 CEEDHN CCN1CCCC[C@H]1C(=O)NCC#Cc1cccc(F)c1 ZINC000338245154 366249799 /nfs/dbraw/zinc/24/97/99/366249799.db2.gz HOEFPEDKFTXTRI-INIZCTEOSA-N 0 3 288.366 2.168 20 30 CEEDHN C=CCCCN(C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000076951282 363544383 /nfs/dbraw/zinc/54/43/83/363544383.db2.gz IIGHKCXKBMOXOC-AWEZNQCLSA-N 0 3 267.417 2.326 20 30 CEEDHN N#Cc1cccc(C#N)c1N1CCC[C@H](N2CCCC2)C1 ZINC000302493576 283203175 /nfs/dbraw/zinc/20/31/75/283203175.db2.gz ZYVWANOVVBIMOW-INIZCTEOSA-N 0 3 280.375 2.495 20 30 CEEDHN C[C@@H](NCc1ccnc(N)c1)c1ccc(C#N)cc1 ZINC000338361136 366317618 /nfs/dbraw/zinc/31/76/18/366317618.db2.gz PFZJIHGPKUHIPK-LLVKDONJSA-N 0 3 252.321 2.217 20 30 CEEDHN C[C@H](N(C)Cc1cnc2c(C#N)cnn2c1)C(C)(C)C ZINC000575923445 366374502 /nfs/dbraw/zinc/37/45/02/366374502.db2.gz NAOWZDXYDHNQLS-NSHDSACASA-N 0 3 271.368 2.467 20 30 CEEDHN CCCN(CCN(C)C)C(=O)c1ncc(C#N)cc1Cl ZINC000344841209 283231145 /nfs/dbraw/zinc/23/11/45/283231145.db2.gz DQNXZVKHYNXHPX-UHFFFAOYSA-N 0 3 294.786 2.020 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H](OC)C2CCCCC2)CC1 ZINC000668369727 538893832 /nfs/dbraw/zinc/89/38/32/538893832.db2.gz CSMTZTGVJDLBQY-INIZCTEOSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCC)C(C)C ZINC000079440213 363601544 /nfs/dbraw/zinc/60/15/44/363601544.db2.gz BWNCIPINYYMBJL-ZDUSSCGKSA-N 0 3 253.390 2.004 20 30 CEEDHN CCc1nc(C2CCN(Cc3ccc(C#N)cn3)CC2)n[nH]1 ZINC000570824856 299279479 /nfs/dbraw/zinc/27/94/79/299279479.db2.gz UIDDCWCNQDRONK-UHFFFAOYSA-N 0 3 296.378 2.013 20 30 CEEDHN CCc1n[nH]c(C2CCN(Cc3ccc(C#N)cn3)CC2)n1 ZINC000570824856 299279482 /nfs/dbraw/zinc/27/94/82/299279482.db2.gz UIDDCWCNQDRONK-UHFFFAOYSA-N 0 3 296.378 2.013 20 30 CEEDHN CCc1nnc(C2CCN(Cc3ccc(C#N)cn3)CC2)[nH]1 ZINC000570824856 299279483 /nfs/dbraw/zinc/27/94/83/299279483.db2.gz UIDDCWCNQDRONK-UHFFFAOYSA-N 0 3 296.378 2.013 20 30 CEEDHN Cc1ccc(C)c(OC[C@H](O)CNCC2(CC#N)CC2)c1 ZINC000578127526 366447716 /nfs/dbraw/zinc/44/77/16/366447716.db2.gz BLXSTARDSSUMQZ-OAHLLOKOSA-N 0 3 288.391 2.327 20 30 CEEDHN C[C@@H]1CCC[C@@H](CO)N1CCOc1ccccc1C#N ZINC000136168559 366500553 /nfs/dbraw/zinc/50/05/53/366500553.db2.gz OTFJSLILUPNNLU-HIFRSBDPSA-N 0 3 274.364 2.172 20 30 CEEDHN C[C@H](NCC1([S@](C)=O)CC1)c1ccc(C#N)cc1 ZINC000282460406 299285105 /nfs/dbraw/zinc/28/51/05/299285105.db2.gz VOIKARYPJQTHMW-VOJFVSQTSA-N 0 3 262.378 2.120 20 30 CEEDHN C=CCNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000079798625 363628619 /nfs/dbraw/zinc/62/86/19/363628619.db2.gz USEQORAAGNRORQ-UHFFFAOYSA-N 0 3 279.359 2.085 20 30 CEEDHN CC[C@@H]1CCCN(CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000079964652 363636823 /nfs/dbraw/zinc/63/68/23/363636823.db2.gz TYUVUMMJPIGBMX-UONOGXRCSA-N 0 3 265.401 2.117 20 30 CEEDHN C=C(C)[C@@H](CO)N(C)CCc1nc(-c2ccccc2)no1 ZINC000671721528 540491954 /nfs/dbraw/zinc/49/19/54/540491954.db2.gz LDBQVVNFCAZTAT-CQSZACIVSA-N 0 3 287.363 2.148 20 30 CEEDHN COC[C@@]1(C)CCN(Cc2ccc(C#N)cc2OC)C1 ZINC000296904389 200031435 /nfs/dbraw/zinc/03/14/35/200031435.db2.gz VYXLZFNAWZOHAO-INIZCTEOSA-N 0 3 274.364 2.425 20 30 CEEDHN C[C@H](CN[C@@H](CCCC#N)c1ccccc1)S(C)(=O)=O ZINC000578759644 366544423 /nfs/dbraw/zinc/54/44/23/366544423.db2.gz BLDHHNGAWCZAOJ-HIFRSBDPSA-N 0 3 294.420 2.444 20 30 CEEDHN CCN(Cc1cnc2c(C#N)cnn2c1)CC1CCC1 ZINC000578770306 366547105 /nfs/dbraw/zinc/54/71/05/366547105.db2.gz PBKQXNSCNYNQOI-UHFFFAOYSA-N 0 3 269.352 2.223 20 30 CEEDHN CCN1CCC[C@H](Nc2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000579191613 366605562 /nfs/dbraw/zinc/60/55/62/366605562.db2.gz DOMXXOIRUJYHQZ-JTQLQIEISA-N 0 3 298.312 2.290 20 30 CEEDHN N#Cc1ccc(CN(CCc2cn[nH]c2)C2CC2)cc1 ZINC000297956631 200308263 /nfs/dbraw/zinc/30/82/63/200308263.db2.gz WDYHPZHNUQPMDP-UHFFFAOYSA-N 0 3 266.348 2.488 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)/C=C/c2cccc(C#N)c2)CN1C1CC1 ZINC000177044363 189024191 /nfs/dbraw/zinc/02/41/91/189024191.db2.gz RMQUWKUZEHRBQX-CUGVZAEZSA-N 0 3 295.386 2.313 20 30 CEEDHN CC[C@@H](C(=O)NCCc1cccc(C#N)c1)N(CC)CC ZINC000341946795 216162085 /nfs/dbraw/zinc/16/20/85/216162085.db2.gz JIEOTDRLLZGYTN-INIZCTEOSA-N 0 3 287.407 2.337 20 30 CEEDHN CN(CC#Cc1cccc(Cl)c1)C(C)(C)CO ZINC000676610189 540938139 /nfs/dbraw/zinc/93/81/39/540938139.db2.gz YNGHGEFBNUJHEO-UHFFFAOYSA-N 0 3 251.757 2.394 20 30 CEEDHN C=CCNC(=O)CN[C@H]1CCCc2ccc(C)cc21 ZINC000180036631 189233616 /nfs/dbraw/zinc/23/36/16/189233616.db2.gz AQZIHQBZXFCDTM-HNNXBMFYSA-N 0 3 258.365 2.264 20 30 CEEDHN C=CCNC(=O)CN[C@H](CC)c1ccc(F)cc1 ZINC000180034372 189233881 /nfs/dbraw/zinc/23/38/81/189233881.db2.gz KKOWOROGXALKON-CYBMUJFWSA-N 0 3 250.317 2.169 20 30 CEEDHN CCC#C[C@H](C)N1CCC2(CC1)[C@H](O)C[C@H]2OCC ZINC000677048449 540975939 /nfs/dbraw/zinc/97/59/39/540975939.db2.gz XVQRIGFOJOYWBS-RRFJBIMHSA-N 0 3 265.397 2.040 20 30 CEEDHN CCC#C[C@H](C)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000677477819 541018472 /nfs/dbraw/zinc/01/84/72/541018472.db2.gz ZVXBWZJTNPJXGC-ZFWWWQNUSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCSCCN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000181096144 189288600 /nfs/dbraw/zinc/28/86/00/189288600.db2.gz AIJMWRFGZLBMBK-GFCCVEGCSA-N 0 3 297.445 2.107 20 30 CEEDHN Cc1cnn(CCN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000181989887 189311740 /nfs/dbraw/zinc/31/17/40/189311740.db2.gz LODFKTHQAYRQFN-ZDUSSCGKSA-N 0 3 254.337 2.414 20 30 CEEDHN C=CCN(C)C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000154153380 366759614 /nfs/dbraw/zinc/75/96/14/366759614.db2.gz HBSWLFGKBNPESQ-UHFFFAOYSA-N 0 3 287.407 2.087 20 30 CEEDHN CCc1nnc(N2CC[C@@H](N3CCCC3)C2)c(C#N)c1CC ZINC000301617110 201097436 /nfs/dbraw/zinc/09/74/36/201097436.db2.gz KFEKXQPDFIVGHL-CYBMUJFWSA-N 0 3 299.422 2.148 20 30 CEEDHN CC[C@@H](C)CN(C)Cc1cnc2c(C#N)cnn2c1 ZINC000581726710 366816544 /nfs/dbraw/zinc/81/65/44/366816544.db2.gz AZNSZKWVNPTERY-LLVKDONJSA-N 0 3 257.341 2.079 20 30 CEEDHN Cc1c([C@@H](C)NCCOc2ccccc2C#N)cnn1C ZINC000183381775 189357369 /nfs/dbraw/zinc/35/73/69/189357369.db2.gz SDEHCEYLJCGYSD-GFCCVEGCSA-N 0 3 284.363 2.330 20 30 CEEDHN Cc1cc(C#N)cc(N(C)C[C@@H]2CCCN(C)C2)n1 ZINC000342412537 216343529 /nfs/dbraw/zinc/34/35/29/216343529.db2.gz KALXJMYLDOCTMX-CYBMUJFWSA-N 0 3 258.369 2.040 20 30 CEEDHN C=CCc1cc(CN[C@H](CO)CC=C)cc(OC)c1O ZINC000184287173 189381805 /nfs/dbraw/zinc/38/18/05/189381805.db2.gz XPIQLQONUBNGFT-AWEZNQCLSA-N 0 3 277.364 2.156 20 30 CEEDHN CN(Cc1ccccc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000023386599 361599344 /nfs/dbraw/zinc/59/93/44/361599344.db2.gz QENUXEGXHZXDIX-KRWDZBQOSA-N 0 3 296.370 2.430 20 30 CEEDHN C=C(C)CN[C@H](CC)c1ccccc1OCC(=O)NC ZINC000678750293 541169309 /nfs/dbraw/zinc/16/93/09/541169309.db2.gz XDBNVNZDOYRSPG-CQSZACIVSA-N 0 3 276.380 2.428 20 30 CEEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000678759242 541169429 /nfs/dbraw/zinc/16/94/29/541169429.db2.gz PIPKHZPDJGMIDX-CHWSQXEVSA-N 0 3 294.420 2.047 20 30 CEEDHN C=CCOCCNCc1cnc(-c2ccccc2)nc1 ZINC000679486720 541279967 /nfs/dbraw/zinc/27/99/67/541279967.db2.gz SNFFAYAIXLOMLA-UHFFFAOYSA-N 0 3 269.348 2.436 20 30 CEEDHN CC[C@H](C)N1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000087833370 363871982 /nfs/dbraw/zinc/87/19/82/363871982.db2.gz CEPXQLFVUINSSE-AWEZNQCLSA-N 0 3 287.407 2.483 20 30 CEEDHN CN(Cc1ccc(C#N)cc1F)C[C@H]1CCCN1C ZINC000092628437 364089848 /nfs/dbraw/zinc/08/98/48/364089848.db2.gz MQNDQNRHPRABAV-CQSZACIVSA-N 0 3 261.344 2.223 20 30 CEEDHN COCC#CCN1CCC(CCCn2ccnc2)CC1 ZINC000679952742 541342780 /nfs/dbraw/zinc/34/27/80/541342780.db2.gz LQNWVUPXKOHCLU-UHFFFAOYSA-N 0 3 275.396 2.025 20 30 CEEDHN COCC#CCN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000679940227 541340626 /nfs/dbraw/zinc/34/06/26/541340626.db2.gz NDOOACHYKILIKP-SFHVURJKSA-N 0 3 286.419 2.453 20 30 CEEDHN CC(C#N)C(=O)N1Cc2ccccc2OC(C)(C)C1 ZINC000334977824 364301116 /nfs/dbraw/zinc/30/11/16/364301116.db2.gz VBEKJQHBURIQGW-NSHDSACASA-N 0 3 258.321 2.346 20 30 CEEDHN C=C(C)CNC(=O)NCCN1CCCC[C@H]1CC ZINC000156771968 366837896 /nfs/dbraw/zinc/83/78/96/366837896.db2.gz WMQZQTVJTNTUGP-CYBMUJFWSA-N 0 3 253.390 2.126 20 30 CEEDHN CC#CCN1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000157721025 366846676 /nfs/dbraw/zinc/84/66/76/366846676.db2.gz BJINWMXGHFVOFH-AWEZNQCLSA-N 0 3 271.364 2.064 20 30 CEEDHN C=C(C)CN(C)CCN1CCN(c2ccccc2)CC1 ZINC000157780770 366848587 /nfs/dbraw/zinc/84/85/87/366848587.db2.gz KXVQVNIXBKURIB-UHFFFAOYSA-N 0 3 273.424 2.317 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCN(CCC)CC1 ZINC000112409253 364805195 /nfs/dbraw/zinc/80/51/95/364805195.db2.gz VPULVNODNCNJCM-INIZCTEOSA-N 0 3 295.471 2.217 20 30 CEEDHN C=CC1CCN(C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000111856448 364766127 /nfs/dbraw/zinc/76/61/27/364766127.db2.gz RTYYXZUBKAWTAI-GFCCVEGCSA-N 0 3 265.401 2.077 20 30 CEEDHN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000112545295 364813965 /nfs/dbraw/zinc/81/39/65/364813965.db2.gz TYHHXBQFIFLDEK-OLZOCXBDSA-N 0 3 259.353 2.098 20 30 CEEDHN C=CC[C@H](CO)N[C@H]1CCc2c1cc(F)cc2F ZINC000680470685 541416476 /nfs/dbraw/zinc/41/64/76/541416476.db2.gz MPAXYCRLSZIHJW-YGRLFVJLSA-N 0 3 253.292 2.479 20 30 CEEDHN N#Cc1cnc(NC2CCN(Cc3ccccc3)CC2)cn1 ZINC000115960541 365031564 /nfs/dbraw/zinc/03/15/64/365031564.db2.gz FAHQZSPEDCLLJK-UHFFFAOYSA-N 0 3 293.374 2.425 20 30 CEEDHN CN1CC[C@]2(CCN(C(=O)C3(C#N)CCCCC3)C2)C1 ZINC000335918214 365160256 /nfs/dbraw/zinc/16/02/56/365160256.db2.gz MVFCSIWPSYKSHF-HNNXBMFYSA-N 0 3 275.396 2.015 20 30 CEEDHN C=C(C)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866433 365186922 /nfs/dbraw/zinc/18/69/22/365186922.db2.gz GCTUQCPTSUATMH-NSHDSACASA-N 0 3 262.313 2.052 20 30 CEEDHN CC(C#N)C(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000335998023 365270964 /nfs/dbraw/zinc/27/09/64/365270964.db2.gz CKDRBZIISXYSAQ-LLVKDONJSA-N 0 3 258.321 2.258 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CCc1ccc(C#N)cc1 ZINC000120796363 365476827 /nfs/dbraw/zinc/47/68/27/365476827.db2.gz YTNFMCGPWLECJU-YOEHRIQHSA-N 0 3 299.418 2.289 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)CCN1C ZINC000336164313 365499819 /nfs/dbraw/zinc/49/98/19/365499819.db2.gz ZPAZZEKBUJAMOF-GWCFXTLKSA-N 0 3 290.342 2.302 20 30 CEEDHN C#CCOc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000159367744 366905775 /nfs/dbraw/zinc/90/57/75/366905775.db2.gz QXCBMKBWMBPZNU-UHFFFAOYSA-N 0 3 298.386 2.055 20 30 CEEDHN COc1ccc(CN(C)C[C@H]2CCC[C@@H]2O)cc1C#N ZINC000159462080 366916459 /nfs/dbraw/zinc/91/64/59/366916459.db2.gz HTUYUXDGCGFYLL-HIFRSBDPSA-N 0 3 274.364 2.160 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)NC1CCN(C2CC2)CC1 ZINC000160241609 366985591 /nfs/dbraw/zinc/98/55/91/366985591.db2.gz UVICSIMGKDZFME-UHFFFAOYSA-N 0 3 283.375 2.223 20 30 CEEDHN C=CCN(C)CCN(CC)CCc1cccc(C)n1 ZINC000583991675 367126728 /nfs/dbraw/zinc/12/67/28/367126728.db2.gz SGYTWGBTDYVDPZ-UHFFFAOYSA-N 0 3 261.413 2.372 20 30 CEEDHN C=CCN(C[C@H](O)COCc1ccc(OC)cc1)C1CC1 ZINC000357526873 370820263 /nfs/dbraw/zinc/82/02/63/370820263.db2.gz GXEQTIIWXAWAFN-INIZCTEOSA-N 0 3 291.391 2.223 20 30 CEEDHN C=CCN1CC[C@H](N(C)CC2Cc3ccccc3C2)C1=O ZINC000584441867 367157743 /nfs/dbraw/zinc/15/77/43/367157743.db2.gz JDQBFXHAZWNDEW-KRWDZBQOSA-N 0 3 284.403 2.120 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000357818136 370829200 /nfs/dbraw/zinc/82/92/00/370829200.db2.gz BTRGZJYVOGGWEO-YRGRVCCFSA-N 0 3 258.321 2.135 20 30 CEEDHN CC(C#N)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000357826534 370831222 /nfs/dbraw/zinc/83/12/22/370831222.db2.gz LXGDBFMWDXRVSM-ZETCQYMHSA-N 0 3 287.150 2.076 20 30 CEEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H](C)C#N)N(C)C ZINC000357860179 370831897 /nfs/dbraw/zinc/83/18/97/370831897.db2.gz HNPWEAFPQWLPLR-YDHLFZDLSA-N 0 3 273.380 2.262 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)CCCCCC#N)CCN1C ZINC000588544245 367194433 /nfs/dbraw/zinc/19/44/33/367194433.db2.gz IWQWTUZKAIKJTB-QWHCGFSZSA-N 0 3 251.374 2.059 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccc(C#N)s2)C1 ZINC000597923209 367209537 /nfs/dbraw/zinc/20/95/37/367209537.db2.gz MZCCMYJWHCVWKU-JTQLQIEISA-N 0 3 277.393 2.222 20 30 CEEDHN C[C@H]1CCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000163088453 367217833 /nfs/dbraw/zinc/21/78/33/367217833.db2.gz LKMCXJHRAWTFRO-WFASDCNBSA-N 0 3 292.404 2.110 20 30 CEEDHN C=CC[C@H](CO)CNCc1cnc([C@@H]2CCCO2)s1 ZINC000341267571 367257694 /nfs/dbraw/zinc/25/76/94/367257694.db2.gz JJVBCSDKERZRSC-AAEUAGOBSA-N 0 3 282.409 2.269 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000342400862 367406618 /nfs/dbraw/zinc/40/66/18/367406618.db2.gz LANTXBWJZPXGPJ-ZNMIVQPWSA-N 0 3 280.412 2.053 20 30 CEEDHN N#CCCCN(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245711825 370861595 /nfs/dbraw/zinc/86/15/95/370861595.db2.gz ZOZGTHHEJYTWAX-QWHCGFSZSA-N 0 3 254.399 2.277 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000341519140 367366426 /nfs/dbraw/zinc/36/64/26/367366426.db2.gz MWWWOHYBBBMSEF-MELADBBJSA-N 0 3 267.417 2.465 20 30 CEEDHN CS[C@H]1CN(c2nccc(C#N)c2Cl)C[C@H]1N(C)C ZINC000342702974 367490353 /nfs/dbraw/zinc/49/03/53/367490353.db2.gz OPQAOOYTRFOLBA-MNOVXSKESA-N 0 3 296.827 2.088 20 30 CEEDHN C[C@@H](CCc1ccccc1)CN1CCN(CC#N)CC1 ZINC000342725074 367501092 /nfs/dbraw/zinc/50/10/92/367501092.db2.gz DAGWLKGEHOYCLR-INIZCTEOSA-N 0 3 271.408 2.396 20 30 CEEDHN N#Cc1cc(NCCc2ccc3cn[nH]c3c2)ccn1 ZINC000343064720 367655248 /nfs/dbraw/zinc/65/52/48/367655248.db2.gz RGZUZQVZJPIUJV-UHFFFAOYSA-N 0 3 263.304 2.484 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000245922675 370889205 /nfs/dbraw/zinc/88/92/05/370889205.db2.gz GYHVDRCFWBORFX-ZFWWWQNUSA-N 0 3 285.391 2.421 20 30 CEEDHN C=CC[C@H](CO)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000343448027 367820622 /nfs/dbraw/zinc/82/06/22/367820622.db2.gz UKUAJQSYYHPEEE-RISCZKNCSA-N 0 3 265.328 2.348 20 30 CEEDHN C=CCCN(C)Cc1c(C)nn(CC(=O)OCC)c1C ZINC000343450483 367822924 /nfs/dbraw/zinc/82/29/24/367822924.db2.gz XIUPASDBBOITKL-UHFFFAOYSA-N 0 3 279.384 2.071 20 30 CEEDHN Cc1cc(C)c(C#N)c(N[C@@H]2CCCN(C)[C@H]2C)n1 ZINC000343493173 367845719 /nfs/dbraw/zinc/84/57/19/367845719.db2.gz BJGBSFIYOQTNTE-GXTWGEPZSA-N 0 3 258.369 2.465 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000173206275 367885221 /nfs/dbraw/zinc/88/52/21/367885221.db2.gz ORDHFPMCNFPKJH-KGLIPLIRSA-N 0 3 298.390 2.214 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)CCc2ccc(C#N)cc2)CCCN1C ZINC000343574301 367892266 /nfs/dbraw/zinc/89/22/66/367892266.db2.gz WEPKXTIAISQPSL-CZUORRHYSA-N 0 3 285.391 2.090 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000343816249 368019816 /nfs/dbraw/zinc/01/98/16/368019816.db2.gz LFYLZBLEHARSTG-JSGCOSHPSA-N 0 3 250.386 2.141 20 30 CEEDHN CN(C)C(=O)c1cccc(CCNCc2ccc(C#N)o2)c1 ZINC000174471746 368028119 /nfs/dbraw/zinc/02/81/19/368028119.db2.gz PABCFLOAVQCDTK-UHFFFAOYSA-N 0 3 297.358 2.185 20 30 CEEDHN C=C1CC(C)(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)C1 ZINC000633032909 368030646 /nfs/dbraw/zinc/03/06/46/368030646.db2.gz NVFDMMCPIFDVBL-ZIAGYGMSSA-N 0 3 262.397 2.428 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](C2CC2)C1 ZINC000344075472 368105894 /nfs/dbraw/zinc/10/58/94/368105894.db2.gz USWWZAQXYHZQAP-HNNXBMFYSA-N 0 3 262.397 2.309 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000175747328 368172457 /nfs/dbraw/zinc/17/24/57/368172457.db2.gz HWKGGPVRBSDOLY-OAHLLOKOSA-N 0 3 296.374 2.345 20 30 CEEDHN C=CCCCC(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000345299957 368226819 /nfs/dbraw/zinc/22/68/19/368226819.db2.gz KOMKHJSUBQNMGE-UHFFFAOYSA-N 0 3 277.368 2.317 20 30 CEEDHN N#Cc1ccc(CNCc2ccc(-n3cncn3)cc2)s1 ZINC000176963054 368256098 /nfs/dbraw/zinc/25/60/98/368256098.db2.gz NVQFNQZQRDRGOD-UHFFFAOYSA-N 0 3 295.371 2.490 20 30 CEEDHN N#CCCn1cc(CN2CC[C@@H](O)C2)c(-c2ccccc2)n1 ZINC000179949972 368359808 /nfs/dbraw/zinc/35/98/08/368359808.db2.gz FFEQAKBYOVJKCE-MRXNPFEDSA-N 0 3 296.374 2.030 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)NC1CCN(CCOC)CC1 ZINC000180898527 368400758 /nfs/dbraw/zinc/40/07/58/368400758.db2.gz JKWSDZHKIZKISG-AWEZNQCLSA-N 0 3 297.443 2.141 20 30 CEEDHN CC(C)[C@H](CO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346149238 368562614 /nfs/dbraw/zinc/56/26/14/368562614.db2.gz XQURDPRNCLRWPV-HZMBPMFUSA-N 0 3 250.317 2.365 20 30 CEEDHN CCOC(=O)C[C@H](C)N(C)Cc1ccc(OC)c(C#N)c1 ZINC000182651434 368574650 /nfs/dbraw/zinc/57/46/50/368574650.db2.gz ZIFRRUWWPRVCAP-LBPRGKRZSA-N 0 3 290.363 2.340 20 30 CEEDHN CC[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000246098569 370907712 /nfs/dbraw/zinc/90/77/12/370907712.db2.gz AQUZTTZBMBXUDN-WQBCIRTESA-N 0 3 280.393 2.321 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C(C)(C)C)C1 ZINC000346599618 368730197 /nfs/dbraw/zinc/73/01/97/368730197.db2.gz GQPINSHPZHOTKX-CHWSQXEVSA-N 0 3 277.412 2.305 20 30 CEEDHN C=CCOCCCN[C@H](COC)c1ccc(C)o1 ZINC000348032422 368865872 /nfs/dbraw/zinc/86/58/72/368865872.db2.gz LLAQRYLIQLUEJI-CYBMUJFWSA-N 0 3 253.342 2.458 20 30 CEEDHN C=CCOCCCN1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000348061924 368881023 /nfs/dbraw/zinc/88/10/23/368881023.db2.gz ZOXHDIKICYFPHE-ZDUSSCGKSA-N 0 3 269.385 2.243 20 30 CEEDHN C[C@@H](NC[C@H](CO)c1cccnc1)c1ccc(C#N)cc1 ZINC000348210448 368951645 /nfs/dbraw/zinc/95/16/45/368951645.db2.gz CFDZJDYGZDLMHK-CXAGYDPISA-N 0 3 281.359 2.380 20 30 CEEDHN CCOC[C@@H](NCC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000348443580 369047657 /nfs/dbraw/zinc/04/76/57/369047657.db2.gz OFJNUTXVNRBCQN-OAHLLOKOSA-N 0 3 289.379 2.147 20 30 CEEDHN CN(C(=O)C1(c2ccc(C#N)cc2)CC1)C1CCN(C)CC1 ZINC000186919561 369068827 /nfs/dbraw/zinc/06/88/27/369068827.db2.gz NJTIVKQRSPOEEP-UHFFFAOYSA-N 0 3 297.402 2.142 20 30 CEEDHN C=CC1CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635548382 369213861 /nfs/dbraw/zinc/21/38/61/369213861.db2.gz QDRZAFNZBHXWIJ-OAHLLOKOSA-N 0 3 262.397 2.428 20 30 CEEDHN CNC(=O)[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187689874 369204306 /nfs/dbraw/zinc/20/43/06/369204306.db2.gz SGPMVQBOZQFNKK-WFASDCNBSA-N 0 3 271.364 2.077 20 30 CEEDHN C=C(C)[C@@H](NC[C@H](O)COC)c1ccc(F)c(F)c1 ZINC000187766107 369219948 /nfs/dbraw/zinc/21/99/48/369219948.db2.gz AZEYLCQPSLKKJO-SMDDNHRTSA-N 0 3 271.307 2.179 20 30 CEEDHN CC(C)OCC[C@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000349246172 369279689 /nfs/dbraw/zinc/27/96/89/369279689.db2.gz WOGJQDGJWVTAKW-INIZCTEOSA-N 0 3 276.380 2.166 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CN(C)CC(C)(C)C ZINC000635890417 369394429 /nfs/dbraw/zinc/39/44/29/369394429.db2.gz ULGJQMGISDVKBI-UKRRQHHQSA-N 0 3 282.428 2.062 20 30 CEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(C#N)CC1 ZINC000246366381 370951061 /nfs/dbraw/zinc/95/10/61/370951061.db2.gz FTMRULHGDBTZBK-KBPBESRZSA-N 0 3 292.427 2.052 20 30 CEEDHN C=CCCN(C)Cc1c(C)nn(CC(=O)OC(C)C)c1C ZINC000276188725 193237126 /nfs/dbraw/zinc/23/71/26/193237126.db2.gz WONOKGODTMXSDN-UHFFFAOYSA-N 0 3 293.411 2.459 20 30 CEEDHN C=CC1CCN(C(=O)NC[C@H]2CCCN2CCC)CC1 ZINC000358272922 370985758 /nfs/dbraw/zinc/98/57/58/370985758.db2.gz IZLBSMAYGJLQFY-OAHLLOKOSA-N 0 3 279.428 2.468 20 30 CEEDHN COc1ccc(CNCCOCC2CC2)cc1C#N ZINC000230658131 189810870 /nfs/dbraw/zinc/81/08/70/189810870.db2.gz DWCWWACYXRQEAS-UHFFFAOYSA-N 0 3 260.337 2.083 20 30 CEEDHN N#Cc1cccc(C2(NC[C@@H](O)CC(F)(F)F)CC2)c1 ZINC000276309961 193281888 /nfs/dbraw/zinc/28/18/88/193281888.db2.gz YJXFVGNDZZZBHU-LBPRGKRZSA-N 0 3 284.281 2.450 20 30 CEEDHN C=CCCN(C)CC(=O)N(C)CCOc1ccccc1F ZINC000276454391 193337366 /nfs/dbraw/zinc/33/73/66/193337366.db2.gz PXKXWOSIAXZSLI-UHFFFAOYSA-N 0 3 294.370 2.171 20 30 CEEDHN CCOCCC1(CNC(=O)C(C)C#N)CCCC1 ZINC000351661722 369646965 /nfs/dbraw/zinc/64/69/65/369646965.db2.gz LYOMELMPRYTIDL-GFCCVEGCSA-N 0 3 252.358 2.249 20 30 CEEDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cn2ccccc2c1C#N ZINC000351952772 369658236 /nfs/dbraw/zinc/65/82/36/369658236.db2.gz XOHFJSJEZFXDER-UONOGXRCSA-N 0 3 282.391 2.335 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1cnn(C(C)C)c1C ZINC000191498495 369718474 /nfs/dbraw/zinc/71/84/74/369718474.db2.gz OJRXWGZQKQJZKD-AAEUAGOBSA-N 0 3 251.374 2.360 20 30 CEEDHN C[C@H](NCc1cc(C#N)n(C)c1)[C@H](O)c1ccc(F)cc1 ZINC000191088658 369676942 /nfs/dbraw/zinc/67/69/42/369676942.db2.gz TWQKMESMNZCJDV-ZBEGNZNMSA-N 0 3 287.338 2.248 20 30 CEEDHN C=CCN(CCOC)CCC(=O)Nc1ccccc1 ZINC000191108243 369678447 /nfs/dbraw/zinc/67/84/47/369678447.db2.gz BCGBOZBQJFYCFB-UHFFFAOYSA-N 0 3 262.353 2.150 20 30 CEEDHN C=CCN(CCOC)CCc1ccc2c(c1)CCO2 ZINC000191108885 369679322 /nfs/dbraw/zinc/67/93/22/369679322.db2.gz BQKRDBNPHSMKSK-UHFFFAOYSA-N 0 3 261.365 2.298 20 30 CEEDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC000276530110 193369230 /nfs/dbraw/zinc/36/92/30/193369230.db2.gz HJXJKSJCTYHZTN-MNOVXSKESA-N 0 3 278.327 2.375 20 30 CEEDHN COC(=O)CC1(NCCOc2ccccc2C#N)CCC1 ZINC000352999865 369976013 /nfs/dbraw/zinc/97/60/13/369976013.db2.gz WIFKJZCXVCCIMQ-UHFFFAOYSA-N 0 3 288.347 2.012 20 30 CEEDHN C=CC[C@@H](CO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193284710 369917492 /nfs/dbraw/zinc/91/74/92/369917492.db2.gz MURSMLAQZNLQAF-WFASDCNBSA-N 0 3 276.336 2.499 20 30 CEEDHN C[C@@H](CNC(=O)NCC(C)(C)CCC#N)N(C)C1CC1 ZINC000352900161 369941173 /nfs/dbraw/zinc/94/11/73/369941173.db2.gz IIQYBKRZFOIGST-LBPRGKRZSA-N 0 3 280.416 2.098 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H](C)N1C ZINC000219277587 370222265 /nfs/dbraw/zinc/22/22/65/370222265.db2.gz QPDCRGOUPZQYSO-TXEJJXNPSA-N 0 3 261.344 2.222 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)[C@H](C)NCC ZINC000637947414 370190374 /nfs/dbraw/zinc/19/03/74/370190374.db2.gz XHFPNCLXLUEOEB-LBPRGKRZSA-N 0 3 264.344 2.338 20 30 CEEDHN CN(CCCCCO)Cc1ccc(F)c(C#N)c1 ZINC000228089573 370395320 /nfs/dbraw/zinc/39/53/20/370395320.db2.gz JSZLZFIOBQOJTO-UHFFFAOYSA-N 0 3 250.317 2.292 20 30 CEEDHN COc1cc(CNC[C@H](C)SC)ccc1C#N ZINC000234847812 370545792 /nfs/dbraw/zinc/54/57/92/370545792.db2.gz ZHEZBKNTXTYEOK-JTQLQIEISA-N 0 3 250.367 2.408 20 30 CEEDHN N#Cc1ccc(CN(CCO)[C@@H]2CCCSC2)s1 ZINC000355488652 370572863 /nfs/dbraw/zinc/57/28/63/370572863.db2.gz VXBGQYNCDWGUDD-LLVKDONJSA-N 0 3 282.434 2.310 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H]1CCCNC(=O)C1 ZINC000638616313 370638082 /nfs/dbraw/zinc/63/80/82/370638082.db2.gz KPYORAYGGZVYLP-CQSZACIVSA-N 0 3 274.364 2.010 20 30 CEEDHN C=CCCC1(C(=O)N[C@@H]2CCCN(CC)C2)CC1 ZINC000355667330 370610545 /nfs/dbraw/zinc/61/05/45/370610545.db2.gz YHKMFANBARBOTI-CYBMUJFWSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCCCN(C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000246829236 371016775 /nfs/dbraw/zinc/01/67/75/371016775.db2.gz TXDXYAADHQQBPO-CABCVRRESA-N 0 3 280.412 2.054 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@@H](SC)C1 ZINC000246925304 371032117 /nfs/dbraw/zinc/03/21/17/371032117.db2.gz STXCYEHHDIXBMF-UONOGXRCSA-N 0 3 297.468 2.212 20 30 CEEDHN C[C@@H]1CCCCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000358416276 371057968 /nfs/dbraw/zinc/05/79/68/371057968.db2.gz VUSHSBKVYGJWGN-CQSZACIVSA-N 0 3 285.391 2.439 20 30 CEEDHN C=CCC1(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)CCC1 ZINC000358607367 371136019 /nfs/dbraw/zinc/13/60/19/371136019.db2.gz KIBTUZYXRGROSK-CHWSQXEVSA-N 0 3 282.453 2.237 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)N[C@H](C)CN(C)C ZINC000358523480 371102630 /nfs/dbraw/zinc/10/26/30/371102630.db2.gz LKXIBQOMIDMGFP-CQSZACIVSA-N 0 3 275.396 2.334 20 30 CEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2sccc2C#N)C1 ZINC000247449327 371108871 /nfs/dbraw/zinc/10/88/71/371108871.db2.gz YWYWKHLPCJUDIQ-STQMWFEESA-N 0 3 289.404 2.176 20 30 CEEDHN C=CCN(CCOC)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000358546937 371110570 /nfs/dbraw/zinc/11/05/70/371110570.db2.gz PFJRFADSTSOYCZ-GJZGRUSLSA-N 0 3 297.443 2.093 20 30 CEEDHN CC(C)[C@@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358572543 371123934 /nfs/dbraw/zinc/12/39/34/371123934.db2.gz QIHMFVONLWACSL-IINYFYTJSA-N 0 3 250.317 2.365 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CCc1ccc(C#N)cc1 ZINC000247550755 371124048 /nfs/dbraw/zinc/12/40/48/371124048.db2.gz YTNFMCGPWLECJU-RHSMWYFYSA-N 0 3 299.418 2.289 20 30 CEEDHN C=CCn1cc(CNC[C@@H]2CCc3ccccc3C2)nn1 ZINC000639273365 371174440 /nfs/dbraw/zinc/17/44/40/371174440.db2.gz BNQKWXTVUHEAPK-CQSZACIVSA-N 0 3 282.391 2.359 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2nc(C)c(C)o2)CC1 ZINC000358770968 371213955 /nfs/dbraw/zinc/21/39/55/371213955.db2.gz AEQHYCMLLRWXSA-UHFFFAOYSA-N 0 3 278.356 2.063 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CCC[C@H]1C1CCCC1)C1CC1 ZINC000249765936 371360856 /nfs/dbraw/zinc/36/08/56/371360856.db2.gz PIPOQFSPERRUER-DOTOQJQBSA-N 0 3 289.423 2.449 20 30 CEEDHN C[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccc(C#N)cc1 ZINC000359315508 371425705 /nfs/dbraw/zinc/42/57/05/371425705.db2.gz DRGBFIQPGONTOM-SWLSCSKDSA-N 0 3 298.390 2.155 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)/C=C\c1cccc(C#N)c1 ZINC000254949763 371543036 /nfs/dbraw/zinc/54/30/36/371543036.db2.gz IVHBTZYCVRJQTD-QWGSZXSUSA-N 0 3 283.375 2.172 20 30 CEEDHN OCC1([C@@H](NCC#Cc2ccccc2)[C@H]2CCCO2)CCC1 ZINC000639765245 371552919 /nfs/dbraw/zinc/55/29/19/371552919.db2.gz HJUGQIVCYPANHZ-MSOLQXFVSA-N 0 3 299.414 2.338 20 30 CEEDHN C=CCN(CC=C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000361449966 371852885 /nfs/dbraw/zinc/85/28/85/371852885.db2.gz ROODMFIUUFSABC-INIZCTEOSA-N 0 3 279.343 2.441 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1OC ZINC000361755478 372056767 /nfs/dbraw/zinc/05/67/67/372056767.db2.gz QYZUMFDBPDFQIR-ZNMIVQPWSA-N 0 3 282.428 2.347 20 30 CEEDHN C=CCOc1ccc(CN2C[C@H](C)[C@H](CO)C2)cc1OC ZINC000361658716 372009946 /nfs/dbraw/zinc/00/99/46/372009946.db2.gz YEMZZUSABIZHLL-ZFWWWQNUSA-N 0 3 291.391 2.320 20 30 CEEDHN CC1(C#N)CCN(CCC(=O)Nc2cccnc2)CC1 ZINC000361860740 372103701 /nfs/dbraw/zinc/10/37/01/372103701.db2.gz OZIZFMPOJOUUIO-UHFFFAOYSA-N 0 3 272.352 2.036 20 30 CEEDHN CN(CC#Cc1ccccc1Cl)C1(CO)CCOCC1 ZINC000362048367 372185949 /nfs/dbraw/zinc/18/59/49/372185949.db2.gz PGFOQZGLMUAPQN-UHFFFAOYSA-N 0 3 293.794 2.165 20 30 CEEDHN N#Cc1csc(CNCCCN2CCCCC2=O)c1 ZINC000344275599 217128890 /nfs/dbraw/zinc/12/88/90/217128890.db2.gz PTKMAOKRSRVBHJ-UHFFFAOYSA-N 0 3 277.393 2.112 20 30 CEEDHN C=CCN1CCC(N[C@H](C)c2cncs2)CC1 ZINC000268922854 372289486 /nfs/dbraw/zinc/28/94/86/372289486.db2.gz XAAVITVMQBDRQL-LLVKDONJSA-N 0 3 251.399 2.444 20 30 CEEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)Cn2cncn2)cc1 ZINC000268999818 372311231 /nfs/dbraw/zinc/31/12/31/372311231.db2.gz LINODJSIGFZUNC-UONOGXRCSA-N 0 3 284.363 2.029 20 30 CEEDHN CCN(CC)C(=O)CCCNCc1ccc(C#N)cc1F ZINC000269408689 372442226 /nfs/dbraw/zinc/44/22/26/372442226.db2.gz ILFVIORUIYUSRK-UHFFFAOYSA-N 0 3 291.370 2.436 20 30 CEEDHN C[C@H]1CCC[C@@H](CO)N1CCOc1cccc(C#N)c1 ZINC000269704312 372539775 /nfs/dbraw/zinc/53/97/75/372539775.db2.gz NBXJLNNMLPGXLL-ZFWWWQNUSA-N 0 3 274.364 2.172 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000269608315 372503665 /nfs/dbraw/zinc/50/36/65/372503665.db2.gz LARAKTOSXYOAPL-LRDDRELGSA-N 0 3 283.375 2.079 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000269616949 372506693 /nfs/dbraw/zinc/50/66/93/372506693.db2.gz PEDLJOZBALVQSE-MDZDMXLPSA-N 0 3 285.391 2.370 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C[C@@H](O)C(C)C)C(C)C ZINC000269724621 372548905 /nfs/dbraw/zinc/54/89/05/372548905.db2.gz VYDSIVKMEWXLHJ-JKSUJKDBSA-N 0 3 296.455 2.208 20 30 CEEDHN CC(C)[C@@H](O)C(C)(C)CNCc1ccc(C#N)o1 ZINC000269911199 372596730 /nfs/dbraw/zinc/59/67/30/372596730.db2.gz IHDGAZLSYZVHSB-CYBMUJFWSA-N 0 3 250.342 2.284 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cn(C)nc1-c1cccs1 ZINC000641767529 372706542 /nfs/dbraw/zinc/70/65/42/372706542.db2.gz LSCLQQGDZKCCBM-ZDUSSCGKSA-N 0 3 289.404 2.013 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc2nc(C)sc2c1 ZINC000641767680 372707617 /nfs/dbraw/zinc/70/76/17/372707617.db2.gz ODQJIOCWHNBQPS-CYBMUJFWSA-N 0 3 274.389 2.469 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccnn1-c1ccccc1C ZINC000641768140 372708328 /nfs/dbraw/zinc/70/83/28/372708328.db2.gz XFJYTKGRXGXTHM-HNNXBMFYSA-N 0 3 283.375 2.045 20 30 CEEDHN CN(CC#Cc1ccc(F)cc1)C[C@@H]1CCC[C@H]1O ZINC000270227684 372709157 /nfs/dbraw/zinc/70/91/57/372709157.db2.gz ZQWYPVXLJODCGS-GOEBONIOSA-N 0 3 261.340 2.270 20 30 CEEDHN N#Cc1ccc(CN2CCCC[C@@H]2C(=N)NO)cc1F ZINC000365271699 372817750 /nfs/dbraw/zinc/81/77/50/372817750.db2.gz HGBLRJZBMKYHRX-CYBMUJFWSA-N 0 3 276.315 2.008 20 30 CEEDHN CS[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1N(C)C ZINC000270667538 372891253 /nfs/dbraw/zinc/89/12/53/372891253.db2.gz QLUAYZWNWTYJIB-LSDHHAIUSA-N 0 3 275.421 2.036 20 30 CEEDHN CN1CCC(n2ccc(NCc3ccc(C#N)cc3)n2)CC1 ZINC000365961222 372968039 /nfs/dbraw/zinc/96/80/39/372968039.db2.gz BCIWPQKBTYLMKN-UHFFFAOYSA-N 0 3 295.390 2.055 20 30 CEEDHN CN1CCN(CCCOc2cccc(C#N)c2)C(C)(C)C1 ZINC000271008131 373062189 /nfs/dbraw/zinc/06/21/89/373062189.db2.gz HKDXCNYZRDZWQB-UHFFFAOYSA-N 0 3 287.407 2.353 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)C[C@@H]1CCC[C@@H]1O ZINC000271039965 373085641 /nfs/dbraw/zinc/08/56/41/373085641.db2.gz MRUUWUMRXGQQSN-ZFWWWQNUSA-N 0 3 274.364 2.160 20 30 CEEDHN COc1cc(CN2CC[C@@H](c3nc(C)no3)C2)ccc1C#N ZINC000344835505 217327613 /nfs/dbraw/zinc/32/76/13/217327613.db2.gz SZWWBFBHVGGXIG-CQSZACIVSA-N 0 3 298.346 2.248 20 30 CEEDHN C#CCCCN1CCN([C@H](C)c2cccnc2)CC1 ZINC000271064705 373101243 /nfs/dbraw/zinc/10/12/43/373101243.db2.gz UFULRCDYOXBFJX-OAHLLOKOSA-N 0 3 257.381 2.174 20 30 CEEDHN C#CCCCN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000271064703 373101936 /nfs/dbraw/zinc/10/19/36/373101936.db2.gz UFULRCDYOXBFJX-HNNXBMFYSA-N 0 3 257.381 2.174 20 30 CEEDHN CN1CCN(Cc2ccc(C#N)cc2F)C(C)(C)C1 ZINC000271067203 373102232 /nfs/dbraw/zinc/10/22/32/373102232.db2.gz UTUDTKIIIQIMKN-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@H]2OCC[C@H]2C1 ZINC000366746282 373120341 /nfs/dbraw/zinc/12/03/41/373120341.db2.gz PJCWWLYCIQYQDJ-LSDHHAIUSA-N 0 3 272.348 2.178 20 30 CEEDHN CC(C)[C@@H](CO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271983671 373248492 /nfs/dbraw/zinc/24/84/92/373248492.db2.gz XQURDPRNCLRWPV-QMTHXVAHSA-N 0 3 250.317 2.365 20 30 CEEDHN N#Cc1ccc(CNCC2(CCO)CCC2)c(F)c1 ZINC000344951543 217363963 /nfs/dbraw/zinc/36/39/63/217363963.db2.gz LPNMCZCZRSBKOS-UHFFFAOYSA-N 0 3 262.328 2.340 20 30 CEEDHN CC(C)[C@H](O)C1(CNCc2cccc(C#N)c2)CC1 ZINC000272101380 373305609 /nfs/dbraw/zinc/30/56/09/373305609.db2.gz VPHPQJMNJXZMQR-HNNXBMFYSA-N 0 3 258.365 2.445 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272422600 373476387 /nfs/dbraw/zinc/47/63/87/373476387.db2.gz GQRVTSKAIGNQPG-ZBFHGGJFSA-N 0 3 283.375 2.033 20 30 CEEDHN C[C@@H](O)[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000272621900 373587428 /nfs/dbraw/zinc/58/74/28/373587428.db2.gz UWCAADVOJYBGGT-TZMCWYRMSA-N 0 3 263.768 2.394 20 30 CEEDHN C=CCOCCN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000272595635 373569460 /nfs/dbraw/zinc/56/94/60/373569460.db2.gz SRNCUEUSMLUMPE-XIKOKIGWSA-N 0 3 267.394 2.277 20 30 CEEDHN CN1C[C@H]2[C@@H](CCN2CC#Cc2ccccc2Cl)C1 ZINC000644734737 373639898 /nfs/dbraw/zinc/63/98/98/373639898.db2.gz OSIFTTQRTDAYLQ-HOCLYGCPSA-N 0 3 274.795 2.327 20 30 CEEDHN CN1C[C@H]2CCN(CC#Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000644736666 373641148 /nfs/dbraw/zinc/64/11/48/373641148.db2.gz QKOSEMAEWOUSBP-GDBMZVCRSA-N 0 3 274.795 2.327 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N[C@H](C)C1=CCN(C)CC1)OCC ZINC000272673956 373610697 /nfs/dbraw/zinc/61/06/97/373610697.db2.gz JLMGPYHISYDUKW-UKRRQHHQSA-N 0 3 280.412 2.124 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H](Cc1ccccc1)C1CC1 ZINC000272901881 373701166 /nfs/dbraw/zinc/70/11/66/373701166.db2.gz VDMHBFYYDRITEE-INIZCTEOSA-N 0 3 293.432 2.198 20 30 CEEDHN COCC(C)(C)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000371697921 373952227 /nfs/dbraw/zinc/95/22/27/373952227.db2.gz ZLHHZJZRKAYFPC-UHFFFAOYSA-N 0 3 298.390 2.473 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](c2ccc(C)cc2)C1 ZINC000371745777 373965341 /nfs/dbraw/zinc/96/53/41/373965341.db2.gz FLQHFPOQQMJIBC-GOEBONIOSA-N 0 3 272.392 2.475 20 30 CEEDHN C=CC[C@H](CO)NCc1nn(CC)c2ccccc12 ZINC000274415746 373912639 /nfs/dbraw/zinc/91/26/39/373912639.db2.gz JFTQJMQBCQVEFE-GFCCVEGCSA-N 0 3 259.353 2.083 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2cccc(C(=O)NC3CC3)c2)C1 ZINC000574475669 335022773 /nfs/dbraw/zinc/02/27/73/335022773.db2.gz DGYOXCFZFLRLGJ-WBMJQRKESA-N 0 3 283.375 2.361 20 30 CEEDHN C[C@H](CCN1CCN(C)CC1)Nc1ccc(F)cc1C#N ZINC000274477470 373935725 /nfs/dbraw/zinc/93/57/25/373935725.db2.gz NPENDYLZODSEIU-CYBMUJFWSA-N 0 3 290.386 2.135 20 30 CEEDHN N#Cc1cccc([C@H]2CN(CCN3CCCCC3)CCO2)c1 ZINC000372347281 374103375 /nfs/dbraw/zinc/10/33/75/374103375.db2.gz RFOAZBJLSHLRGZ-GOSISDBHSA-N 0 3 299.418 2.417 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc(C#N)c3)C[C@H]21 ZINC000373189374 374286800 /nfs/dbraw/zinc/28/68/00/374286800.db2.gz CHJMEAPWLJTHQC-UKRRQHHQSA-N 0 3 284.363 2.116 20 30 CEEDHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1cc(C#N)n(C)c1 ZINC000276759665 374292234 /nfs/dbraw/zinc/29/22/34/374292234.db2.gz MQOBMUIWIIOMIV-ZBFHGGJFSA-N 0 3 289.379 2.108 20 30 CEEDHN C[C@H](NC[C@H]1CN(C2CC2)CCO1)c1cccc(C#N)c1 ZINC000373174791 374285044 /nfs/dbraw/zinc/28/50/44/374285044.db2.gz AMJBNJIYTFVUEE-GUYCJALGSA-N 0 3 285.391 2.072 20 30 CEEDHN C#CCCN[C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000277136034 374413672 /nfs/dbraw/zinc/41/36/72/374413672.db2.gz ITEZPTLWPFOKBB-AWEZNQCLSA-N 0 3 255.321 2.275 20 30 CEEDHN C[C@H](N[C@H]1CC(=O)N2CCCC[C@H]12)c1cccc(C#N)c1 ZINC000374585793 374607453 /nfs/dbraw/zinc/60/74/53/374607453.db2.gz PSIRUJLJYKXOLF-VBNZEHGJSA-N 0 3 283.375 2.362 20 30 CEEDHN C=CCS(=O)(=O)CCNC1CC(c2ccccc2F)C1 ZINC000374698723 374628383 /nfs/dbraw/zinc/62/83/83/374628383.db2.gz KACSOAZXAJXLIW-UHFFFAOYSA-N 0 3 297.395 2.262 20 30 CEEDHN CC(C)(C#N)CCCCN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000375723734 374674095 /nfs/dbraw/zinc/67/40/95/374674095.db2.gz HDCMKNIGZZMNIM-MJBXVCDLSA-N 0 3 277.412 2.292 20 30 CEEDHN C[C@@H](N[C@H]1CCc2nccn2C1)c1ccc(C#N)s1 ZINC000375843469 374685615 /nfs/dbraw/zinc/68/56/15/374685615.db2.gz SHOOKWNEPPTWJK-MNOVXSKESA-N 0 3 272.377 2.482 20 30 CEEDHN C[C@H](O)C[C@H]1CCCCN1Cc1cc(C#N)n(C)c1 ZINC000280357859 375180517 /nfs/dbraw/zinc/18/05/17/375180517.db2.gz CIKDBWKQJZOMDK-GXTWGEPZSA-N 0 3 261.369 2.022 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cn2ccccc2n1 ZINC000280734517 375302855 /nfs/dbraw/zinc/30/28/55/375302855.db2.gz WEIOEYUQFSOUPN-BBRMVZONSA-N 0 3 271.364 2.405 20 30 CEEDHN CC[C@@H]1[C@H](CO)CCN1Cc1ccc(C#N)cc1F ZINC000386282334 375256767 /nfs/dbraw/zinc/25/67/67/375256767.db2.gz OGOIVCGERHLTCG-DZGCQCFKSA-N 0 3 262.328 2.290 20 30 CEEDHN C[C@@H]1CCC[C@@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000282122165 375408237 /nfs/dbraw/zinc/40/82/37/375408237.db2.gz QTIABRDNGSVOFG-RISCZKNCSA-N 0 3 257.337 2.275 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000684622382 542047743 /nfs/dbraw/zinc/04/77/43/542047743.db2.gz RLLIZPOZAJJPAE-QGZVFWFLSA-N 0 3 289.419 2.301 20 30 CEEDHN C=CCCCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415981397 376030799 /nfs/dbraw/zinc/03/07/99/376030799.db2.gz BVOSQERTTFKJQN-UHFFFAOYSA-N 0 3 275.352 2.256 20 30 CEEDHN Cc1cc(C#N)nc(NC[C@H]2CCCCN2C2CC2)n1 ZINC000287601986 376272003 /nfs/dbraw/zinc/27/20/03/376272003.db2.gz FQNGECACGGPAFT-CQSZACIVSA-N 0 3 271.368 2.086 20 30 CEEDHN CNC(=O)CC[C@H]1CCCCN1Cc1ccc(C#N)o1 ZINC000289605700 376416223 /nfs/dbraw/zinc/41/62/23/376416223.db2.gz LALNNOYSZKKTBE-GFCCVEGCSA-N 0 3 275.352 2.032 20 30 CEEDHN C[C@@H](NCC1(CO)CCOCC1)c1ccc(C#N)cc1F ZINC000305828713 376509683 /nfs/dbraw/zinc/50/96/83/376509683.db2.gz SFWWIOSPVUNYJP-GFCCVEGCSA-N 0 3 292.354 2.137 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCc3c[nH]nc3C2)c(F)c1 ZINC000334281401 206304740 /nfs/dbraw/zinc/30/47/40/206304740.db2.gz SHXFNKPOCODJNU-CYBMUJFWSA-N 0 3 270.311 2.068 20 30 CEEDHN CN(C)[C@H]1CCCN(C(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000263904355 190084667 /nfs/dbraw/zinc/08/46/67/190084667.db2.gz GABJZLOCXQWCME-SCOAYWHSSA-N 0 3 283.375 2.124 20 30 CEEDHN N#Cc1ccnc(N[C@@H]2CCN(C3CCCC3)C2)c1Cl ZINC000557582553 376567180 /nfs/dbraw/zinc/56/71/80/376567180.db2.gz CGYIGIPXBDLPAC-GFCCVEGCSA-N 0 3 290.798 2.457 20 30 CEEDHN Cc1nnc(CCNCc2cccc(C#N)c2)s1 ZINC000289965323 376578242 /nfs/dbraw/zinc/57/82/42/376578242.db2.gz VSSDJGPZYCFHOD-UHFFFAOYSA-N 0 3 258.350 2.051 20 30 CEEDHN C=CCN(Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000264516237 190115377 /nfs/dbraw/zinc/11/53/77/190115377.db2.gz YWMRHQXASIXZHB-INIZCTEOSA-N 0 3 274.408 2.395 20 30 CEEDHN N#Cc1ccc(OCCN2CCC[C@]23CCOC3)cc1 ZINC000313011241 376734868 /nfs/dbraw/zinc/73/48/68/376734868.db2.gz OGEICGPUMNNINR-MRXNPFEDSA-N 0 3 272.348 2.192 20 30 CEEDHN C=CCC[C@H](CO)NCc1cnc2ccccc2n1 ZINC000320649431 376824532 /nfs/dbraw/zinc/82/45/32/376824532.db2.gz OQYHJMVHTJVDDN-GFCCVEGCSA-N 0 3 257.337 2.047 20 30 CEEDHN C[C@@H](NC(=O)c1cn2c(n1)CCCC2)C1=CCN(C)CC1 ZINC000328697560 376881970 /nfs/dbraw/zinc/88/19/70/376881970.db2.gz HFSCUVIHMQEJJF-GFCCVEGCSA-N 0 3 288.395 2.174 20 30 CEEDHN CCn1cnnc1[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000328720269 376884688 /nfs/dbraw/zinc/88/46/88/376884688.db2.gz GQRHVXVNQNTZRJ-MCIONIFRSA-N 0 3 273.384 2.170 20 30 CEEDHN O=C(N[C@H]1CC[C@H](CO)CC1)C1CCN(C2CC2)CC1 ZINC000328744377 376890007 /nfs/dbraw/zinc/89/00/07/376890007.db2.gz KLYPPFFRIIZROD-MQMHXKEQSA-N 0 3 280.412 2.368 20 30 CEEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cnccc1N ZINC000422995087 376912227 /nfs/dbraw/zinc/91/22/27/376912227.db2.gz XAGPJHFTZDQHSD-LBPRGKRZSA-N 0 3 282.347 2.095 20 30 CEEDHN CCN1CCC[C@H](NC(=O)c2cnn(C)c2C2CC2)C1 ZINC000328880614 376914436 /nfs/dbraw/zinc/91/44/36/376914436.db2.gz LXRKHMNVYDKZKJ-LBPRGKRZSA-N 0 3 276.384 2.086 20 30 CEEDHN COC1(C(=O)NC[C@@H]2CCCCN2C2CC2)CCOCC1 ZINC000328904765 376920701 /nfs/dbraw/zinc/92/07/01/376920701.db2.gz JNBYUVSRRITKRG-AWEZNQCLSA-N 0 3 296.411 2.155 20 30 CEEDHN CC(C)[C@H](CO)[C@@H](NC[C@H](C#N)CCC#N)C(C)C ZINC000562554600 376932141 /nfs/dbraw/zinc/93/21/41/376932141.db2.gz OLODBSDEQMFABM-KKUMJFAQSA-N 0 3 265.401 2.309 20 30 CEEDHN CCC[C@]1(NC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CCOC1 ZINC000329282078 376937642 /nfs/dbraw/zinc/93/76/42/376937642.db2.gz MUMAUVUVYPZGLK-ZENOOKHLSA-N 0 3 295.427 2.074 20 30 CEEDHN C[C@@H](NCCc1cccc(C#N)c1)c1cnccc1N ZINC000423095808 376988155 /nfs/dbraw/zinc/98/81/55/376988155.db2.gz GHUBIYXVVDBZFR-GFCCVEGCSA-N 0 3 266.348 2.259 20 30 CEEDHN C#CCN(CC)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000264805225 190135580 /nfs/dbraw/zinc/13/55/80/190135580.db2.gz UWDYDESZCKYPEE-OAHLLOKOSA-N 0 3 287.407 2.172 20 30 CEEDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)NCc1ccc(C#N)cc1 ZINC000330962597 377215237 /nfs/dbraw/zinc/21/52/37/377215237.db2.gz YQIGXKZJCYFGMW-CZUORRHYSA-N 0 3 285.391 2.295 20 30 CEEDHN Cc1[nH]nc(C(C)C)c1C(=O)N[C@@H](C)CN(C)C ZINC000330685831 377199841 /nfs/dbraw/zinc/19/98/41/377199841.db2.gz VBTQWMMKMCMPBV-VIFPVBQESA-N 0 3 252.362 2.096 20 30 CEEDHN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)CN(C)C ZINC000330685831 377199846 /nfs/dbraw/zinc/19/98/46/377199846.db2.gz VBTQWMMKMCMPBV-VIFPVBQESA-N 0 3 252.362 2.096 20 30 CEEDHN C#CCN(C)CCCNc1ccc([N+](=O)[O-])cc1F ZINC000292846761 377311370 /nfs/dbraw/zinc/31/13/70/377311370.db2.gz RAHBTAXIZDXRIF-UHFFFAOYSA-N 0 3 265.288 2.101 20 30 CEEDHN C=C(C)CCNCCS(=O)(=O)c1ccccc1 ZINC000563881727 377312146 /nfs/dbraw/zinc/31/21/46/377312146.db2.gz OKXMNECKOITYHD-UHFFFAOYSA-N 0 3 253.367 2.016 20 30 CEEDHN Cc1ccnc(N2CC[C@@]3(C2)CCCN(C)C3)c1C#N ZINC000292854971 377315600 /nfs/dbraw/zinc/31/56/00/377315600.db2.gz RRMANVKYRPNEMG-INIZCTEOSA-N 0 3 270.380 2.184 20 30 CEEDHN C=C(CC)CNC(=O)N1CCc2ccccc2[C@H]1CN ZINC000563956167 377326822 /nfs/dbraw/zinc/32/68/22/377326822.db2.gz GHOMLKCOHXVJLI-OAHLLOKOSA-N 0 3 273.380 2.220 20 30 CEEDHN C[C@@H]1CCC[C@]1(O)CNCc1ccc(C#N)s1 ZINC000292892979 377338132 /nfs/dbraw/zinc/33/81/32/377338132.db2.gz DATJXOHWJMWBJQ-MFKMUULPSA-N 0 3 250.367 2.260 20 30 CEEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)CCOCC1 ZINC000424688904 377283677 /nfs/dbraw/zinc/28/36/77/377283677.db2.gz OJIBAPWFBBSLLP-CABCVRRESA-N 0 3 294.439 2.300 20 30 CEEDHN C[C@H](O)[C@H]1C[C@H](C)CCN1CCOc1ccccc1C#N ZINC000331303465 377366866 /nfs/dbraw/zinc/36/68/66/377366866.db2.gz XURFKCCPQUMSBN-IJEWVQPXSA-N 0 3 288.391 2.418 20 30 CEEDHN C#CCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000264929234 190145269 /nfs/dbraw/zinc/14/52/69/190145269.db2.gz XMDBVMYKKBIWFU-UHFFFAOYSA-N 0 3 270.376 2.426 20 30 CEEDHN C=C(C)CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425514508 377356898 /nfs/dbraw/zinc/35/68/98/377356898.db2.gz USNYJIURMMDDPN-DLBZAZTESA-N 0 3 299.418 2.478 20 30 CEEDHN CC(C)N(CC(=O)NCC#N)[C@H](C)c1ccccc1 ZINC000428853961 377501489 /nfs/dbraw/zinc/50/14/89/377501489.db2.gz ZNECOVMASXPZDW-CYBMUJFWSA-N 0 3 259.353 2.098 20 30 CEEDHN COCC#CCN[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000685595750 542166201 /nfs/dbraw/zinc/16/62/01/542166201.db2.gz ORXBNEKZDGBRLS-CVEARBPZSA-N 0 3 292.810 2.325 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)NCC1(CC#N)CC1 ZINC000430969604 377580624 /nfs/dbraw/zinc/58/06/24/377580624.db2.gz FWJJXLDEBBLHCH-ZDUSSCGKSA-N 0 3 292.427 2.100 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000565783258 377697228 /nfs/dbraw/zinc/69/72/28/377697228.db2.gz ZEFKHINTXSNVIK-CYBMUJFWSA-N 0 3 288.395 2.032 20 30 CEEDHN C=CCCC[C@@H](C)N1CCC[C@H](CS(C)(=O)=O)C1 ZINC000433053038 377779376 /nfs/dbraw/zinc/77/93/76/377779376.db2.gz OQXJRGIZTFDQLM-KGLIPLIRSA-N 0 3 273.442 2.488 20 30 CEEDHN C[C@@H](CNC(=O)[C@H](C#N)CCc1ccccc1)N(C)C1CC1 ZINC000435930255 377814459 /nfs/dbraw/zinc/81/44/59/377814459.db2.gz WSAYTGHARBXHQK-HOCLYGCPSA-N 0 3 299.418 2.358 20 30 CEEDHN CC[C@@H](O)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000433379168 377791741 /nfs/dbraw/zinc/79/17/41/377791741.db2.gz XQRXWQZEORSJHF-HUUCEWRRSA-N 0 3 274.364 2.036 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000437599712 377854861 /nfs/dbraw/zinc/85/48/61/377854861.db2.gz DEFMXCMOEQAMSL-ZBFHGGJFSA-N 0 3 282.428 2.063 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CO[C@H](C)C1)C(C)C ZINC000439270283 377924352 /nfs/dbraw/zinc/92/43/52/377924352.db2.gz HPYFRKCHAQJUBS-OWCLPIDISA-N 0 3 294.439 2.226 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCCn2c3ccccc3[nH]c2=O)C1 ZINC000442856799 378009483 /nfs/dbraw/zinc/00/94/83/378009483.db2.gz ZHGLXSDLSLAFLN-NEPJUHHUSA-N 0 3 270.336 2.024 20 30 CEEDHN N#C[C@@H]1CC[C@H](NC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000442635417 377974368 /nfs/dbraw/zinc/97/43/68/377974368.db2.gz PPCVYOPNRWYZIK-SQNIBIBYSA-N 0 3 299.418 2.169 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC1(F)F)C(C)C ZINC000294980833 378032806 /nfs/dbraw/zinc/03/28/06/378032806.db2.gz RXZCNAQEGTXWIT-QWHCGFSZSA-N 0 3 286.366 2.456 20 30 CEEDHN C#CCN(C)CCCN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000294979735 378033078 /nfs/dbraw/zinc/03/30/78/378033078.db2.gz KMQYHAGCOOPPCG-MRXNPFEDSA-N 0 3 282.391 2.044 20 30 CEEDHN C#CCN(C)CCCN[C@H](C)c1ccc(Cl)cn1 ZINC000295123588 378043018 /nfs/dbraw/zinc/04/30/18/378043018.db2.gz YYYLXZFXZPQLOC-GFCCVEGCSA-N 0 3 265.788 2.341 20 30 CEEDHN CC(C)[C@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000446709574 378086194 /nfs/dbraw/zinc/08/61/94/378086194.db2.gz ANTRPXWPLZNBIK-AWEZNQCLSA-N 0 3 277.412 2.307 20 30 CEEDHN C#CCN(C)CCCN[C@@H](C)c1cccnc1Cl ZINC000294859717 378023265 /nfs/dbraw/zinc/02/32/65/378023265.db2.gz BWUYTWZZHOLDJO-LBPRGKRZSA-N 0 3 265.788 2.341 20 30 CEEDHN CC(C#N)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC000446868395 378086576 /nfs/dbraw/zinc/08/65/76/378086576.db2.gz PAECTRRMFFGSGI-NSHDSACASA-N 0 3 299.305 2.134 20 30 CEEDHN C=C(C)CN1CCC(NCc2cc(F)ncc2F)CC1 ZINC000295308753 378098172 /nfs/dbraw/zinc/09/81/72/378098172.db2.gz YEXHNVDGHKDEHL-UHFFFAOYSA-N 0 3 281.350 2.490 20 30 CEEDHN C[C@H](CNC(=O)[C@@]1(C#N)C[C@H]1C)N(C)Cc1ccccc1 ZINC000448954021 378194951 /nfs/dbraw/zinc/19/49/51/378194951.db2.gz IWMJVEHKNAIWJZ-CKEIUWERSA-N 0 3 285.391 2.173 20 30 CEEDHN CC(C)(CCC#N)C[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC000449713272 378224116 /nfs/dbraw/zinc/22/41/16/378224116.db2.gz WWBCKVAYEAPCFU-UHFFFAOYSA-N 0 3 284.367 2.286 20 30 CEEDHN CC(C)(CCC#N)CNCc1nc(-c2ccccn2)n[nH]1 ZINC000449713272 378224121 /nfs/dbraw/zinc/22/41/21/378224121.db2.gz WWBCKVAYEAPCFU-UHFFFAOYSA-N 0 3 284.367 2.286 20 30 CEEDHN C=CCCCNC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000447953779 378164899 /nfs/dbraw/zinc/16/48/99/378164899.db2.gz JSWHKIHMHUBYDZ-UONOGXRCSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@](CO)(COC)C2)cc1 ZINC000449697252 378221358 /nfs/dbraw/zinc/22/13/58/378221358.db2.gz LFIRYZOSLPAENI-QGZVFWFLSA-N 0 3 291.391 2.082 20 30 CEEDHN C=CCC[C@H](CO)NCC1=Cc2ccccc2OC1 ZINC000449695214 378221893 /nfs/dbraw/zinc/22/18/93/378221893.db2.gz DNCNAJBVCBURGU-OAHLLOKOSA-N 0 3 259.349 2.379 20 30 CEEDHN C=CCOc1cccc(CN2C[C@H](C)C[C@@H](O)C2)c1 ZINC000449768776 378228952 /nfs/dbraw/zinc/22/89/52/378228952.db2.gz TVRTZXFVJJTQAY-UKRRQHHQSA-N 0 3 261.365 2.454 20 30 CEEDHN CCC[C@@H](O)CNC(=O)C(C#N)CCc1ccccc1 ZINC000450175312 378316837 /nfs/dbraw/zinc/31/68/37/378316837.db2.gz FTZNHKROSUQTGZ-LSDHHAIUSA-N 0 3 274.364 2.036 20 30 CEEDHN C[C@@H]1CCCCN1CCNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000296232585 378460907 /nfs/dbraw/zinc/46/09/07/378460907.db2.gz DXVQARCGJBOWHV-LLVKDONJSA-N 0 3 289.339 2.148 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1ccccc1C ZINC000297067392 378662601 /nfs/dbraw/zinc/66/26/01/378662601.db2.gz YLZPWOJRVRSCOR-UHFFFAOYSA-N 0 3 287.407 2.092 20 30 CEEDHN CN(CC(=O)NCc1ccc(C#N)cc1)C1CCCCC1 ZINC000298463107 378734131 /nfs/dbraw/zinc/73/41/31/378734131.db2.gz MTDKPTHOWLJIFZ-UHFFFAOYSA-N 0 3 285.391 2.439 20 30 CEEDHN COc1ccc(CNC[C@@](C)(O)c2ccco2)cc1C#N ZINC000266181970 190238307 /nfs/dbraw/zinc/23/83/07/190238307.db2.gz VPRRKRLDRYPMDO-MRXNPFEDSA-N 0 3 286.331 2.157 20 30 CEEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)cc2OC)C[C@H]1C ZINC000347298132 218181492 /nfs/dbraw/zinc/18/14/92/218181492.db2.gz ZLMGTWDBPGOCNP-KGLIPLIRSA-N 0 3 287.407 2.481 20 30 CEEDHN C=CCN1CCC(Nc2ccc(C(=O)OCC)cn2)CC1 ZINC000266371107 190252598 /nfs/dbraw/zinc/25/25/98/190252598.db2.gz LPKDDKVRZBONQD-UHFFFAOYSA-N 0 3 289.379 2.321 20 30 CEEDHN N#Cc1cc(N2CCN(CCc3ccccc3)CC2)ccn1 ZINC000299677588 379102979 /nfs/dbraw/zinc/10/29/79/379102979.db2.gz QNAVTVAIIFUESV-UHFFFAOYSA-N 0 3 292.386 2.318 20 30 CEEDHN N#CCCCCNC(=O)Nc1cccc2c1CCNC2 ZINC000515519461 379228428 /nfs/dbraw/zinc/22/84/28/379228428.db2.gz SPXVDDHTMJUPCW-UHFFFAOYSA-N 0 3 272.352 2.148 20 30 CEEDHN CCN1CCC(N(C)c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000301292935 379249067 /nfs/dbraw/zinc/24/90/67/379249067.db2.gz UMZNUZNMVBACDN-UHFFFAOYSA-N 0 3 288.351 2.387 20 30 CEEDHN Cc1cc(C)cc(OC[C@@H](O)CNCC2(CC#N)CC2)c1 ZINC000521427413 379531047 /nfs/dbraw/zinc/53/10/47/379531047.db2.gz APVNEISLUMTKPT-HNNXBMFYSA-N 0 3 288.391 2.327 20 30 CEEDHN Cc1ccc([C@H](O)CNCc2ccc(C#N)s2)o1 ZINC000267168937 190308559 /nfs/dbraw/zinc/30/85/59/190308559.db2.gz HOBODCCKGYRRLR-GFCCVEGCSA-N 0 3 262.334 2.344 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N(C)C[C@H]1CC=CCC1 ZINC000527299448 379743929 /nfs/dbraw/zinc/74/39/29/379743929.db2.gz DFPBQBYTQOOUSX-KBPBESRZSA-N 0 3 275.396 2.225 20 30 CEEDHN C#CC(C)(C)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000267590425 190339675 /nfs/dbraw/zinc/33/96/75/190339675.db2.gz AGLGISLPSGRVMS-UHFFFAOYSA-N 0 3 259.353 2.282 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C2\CC[C@@H](C)C2)CC1 ZINC000267898067 190361213 /nfs/dbraw/zinc/36/12/13/190361213.db2.gz ZBUGSJRJEWKDHD-MNWMYKRDSA-N 0 3 262.397 2.499 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(C#N)cc2)CN1C1CC1 ZINC000267944880 190364375 /nfs/dbraw/zinc/36/43/75/190364375.db2.gz HYZMLRHWHZUINO-OKZVOGLASA-N 0 3 295.386 2.313 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000268168736 190382751 /nfs/dbraw/zinc/38/27/51/190382751.db2.gz QGTWEPGKVJIATR-YGRLFVJLSA-N 0 3 286.335 2.361 20 30 CEEDHN C=CCC(CC=C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000268182843 190383845 /nfs/dbraw/zinc/38/38/45/190383845.db2.gz LNCJGGBLYVLDDQ-LBPRGKRZSA-N 0 3 250.386 2.354 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)C1CCc2ccccc2CC1 ZINC000528915582 380134242 /nfs/dbraw/zinc/13/42/42/380134242.db2.gz DMJQDHJOAUXEFW-MRXNPFEDSA-N 0 3 298.386 2.415 20 30 CEEDHN COc1ccc(C(C)(C)NC(=O)C(C)C#N)cc1F ZINC000529849652 380188677 /nfs/dbraw/zinc/18/86/77/380188677.db2.gz RTDYYBIYAQRWER-VIFPVBQESA-N 0 3 264.300 2.345 20 30 CEEDHN C=C(C)COCCNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000532145029 380211706 /nfs/dbraw/zinc/21/17/06/380211706.db2.gz YTGWFZOBOFBTQH-UHFFFAOYSA-N 0 3 297.443 2.095 20 30 CEEDHN C[C@H](CNC(=O)C1(C#N)CC(C)C1)N1CCC[C@@H](C)C1 ZINC000532322118 380213270 /nfs/dbraw/zinc/21/32/70/380213270.db2.gz FJKFYNYMYQBGPO-ILTLLKDXSA-N 0 3 277.412 2.163 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(C)o2)CC1 ZINC000532802863 380216494 /nfs/dbraw/zinc/21/64/94/380216494.db2.gz HYXJWRUCGINCOS-UHFFFAOYSA-N 0 3 276.380 2.287 20 30 CEEDHN Cc1csc(C(C#N)C(=O)Nc2nc(C)c(C)o2)n1 ZINC000536252733 380223099 /nfs/dbraw/zinc/22/30/99/380223099.db2.gz JZPNGLKWSRKMGX-VIFPVBQESA-N 0 3 276.321 2.302 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000334458295 380440611 /nfs/dbraw/zinc/44/06/11/380440611.db2.gz JTSYIFQGDISFQX-KRWDZBQOSA-N 0 3 297.402 2.393 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc(C#N)s2)C1 ZINC000334743950 207003858 /nfs/dbraw/zinc/00/38/58/207003858.db2.gz HEMSJZBKCFULKA-NSHDSACASA-N 0 3 277.393 2.174 20 30 CEEDHN N#CCC[C@H](C#N)CNC1CCN(Cc2ccccn2)CC1 ZINC000554834310 380797986 /nfs/dbraw/zinc/79/79/86/380797986.db2.gz XWMSLFFKNLEKIH-OAHLLOKOSA-N 0 3 297.406 2.079 20 30 CEEDHN N#Cc1ccc(F)c(CN[C@@H]2CCC[C@H]2CCO)c1 ZINC000279286058 194369393 /nfs/dbraw/zinc/36/93/93/194369393.db2.gz OZCQTDFXUWMZEJ-SWLSCSKDSA-N 0 3 262.328 2.338 20 30 CEEDHN C[C@@]1(CO)CCC[C@@H]1NCC#Cc1ccc(F)cc1 ZINC000493710016 381142390 /nfs/dbraw/zinc/14/23/90/381142390.db2.gz RRCASGPGLSHPFE-HOTGVXAUSA-N 0 3 261.340 2.318 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000493909663 381152111 /nfs/dbraw/zinc/15/21/11/381152111.db2.gz XUKZZGUMMPUYAF-NWDGAFQWSA-N 0 3 254.374 2.408 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN2C(=O)OCC[C@H]2C1 ZINC000494591106 381159700 /nfs/dbraw/zinc/15/97/00/381159700.db2.gz UPMFWAXEQFQYEN-OLZOCXBDSA-N 0 3 252.358 2.258 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)CCN1C ZINC000334796345 207090597 /nfs/dbraw/zinc/09/05/97/207090597.db2.gz JFZJOHUEJXYDCW-ZWNOBZJWSA-N 0 3 291.782 2.424 20 30 CEEDHN C#CCCCN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000496548176 381218012 /nfs/dbraw/zinc/21/80/12/381218012.db2.gz KLWFYIHBZNKYRE-CYBMUJFWSA-N 0 3 266.385 2.389 20 30 CEEDHN CC#CCCN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000496488435 381216114 /nfs/dbraw/zinc/21/61/14/381216114.db2.gz GMSRWAACKLRUMZ-STQMWFEESA-N 0 3 266.385 2.387 20 30 CEEDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NCCC#N)C1 ZINC000497007595 381236688 /nfs/dbraw/zinc/23/66/88/381236688.db2.gz JMHNLIIJCKSQNM-RYUDHWBXSA-N 0 3 267.373 2.183 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N2C[C@H](C)NC[C@@H]2C)c1 ZINC000334856258 207194346 /nfs/dbraw/zinc/19/43/46/207194346.db2.gz NDVWXSFSRLNAAN-RYUDHWBXSA-N 0 3 272.352 2.081 20 30 CEEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)CC#N ZINC000185096109 262041423 /nfs/dbraw/zinc/04/14/23/262041423.db2.gz KKWMHENNPIPYGV-UHFFFAOYSA-N 0 3 257.337 2.443 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCc3nc[nH]c3C2)c(F)c1 ZINC000335306149 208151298 /nfs/dbraw/zinc/15/12/98/208151298.db2.gz HIKOWAQBGQDCRS-LBPRGKRZSA-N 0 3 270.311 2.068 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCc3[nH]cnc3C2)c(F)c1 ZINC000335306149 208151306 /nfs/dbraw/zinc/15/13/06/208151306.db2.gz HIKOWAQBGQDCRS-LBPRGKRZSA-N 0 3 270.311 2.068 20 30 CEEDHN CC(C#N)C(=O)N(C)CCOc1ccccc1Cl ZINC000347041688 533108304 /nfs/dbraw/zinc/10/83/04/533108304.db2.gz CLBIRHGDQHRYLH-JTQLQIEISA-N 0 3 266.728 2.337 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000335264968 533112474 /nfs/dbraw/zinc/11/24/74/533112474.db2.gz SVVMCZOALBJOBG-VHSXEESVSA-N 0 3 264.275 2.440 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC000347052622 533113698 /nfs/dbraw/zinc/11/36/98/533113698.db2.gz QNJDNPFTRLJRRB-GXFFZTMASA-N 0 3 279.771 2.219 20 30 CEEDHN COc1cc([C@H](C)NC(=O)C(C)C#N)cc(OC)c1OC ZINC000347067598 533128389 /nfs/dbraw/zinc/12/83/89/533128389.db2.gz LGCUVCIRLKOEBZ-ZJUUUORDSA-N 0 3 292.335 2.049 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NCC(=O)NC2CCCCC2)C1 ZINC000185815698 262309161 /nfs/dbraw/zinc/30/91/61/262309161.db2.gz YUHKQABRURPSMI-TZMCWYRMSA-N 0 3 263.385 2.107 20 30 CEEDHN CC(C)c1csc(C(C#N)C(=O)Nc2nncs2)n1 ZINC000179476460 260050825 /nfs/dbraw/zinc/05/08/25/260050825.db2.gz YKIYZHCDNBLGMW-ZETCQYMHSA-N 0 3 293.377 2.364 20 30 CEEDHN C[C@@H](C(=O)N1CCC(C#N)CC1)N1[C@H](C)CC[C@H]1C ZINC000171285799 335062417 /nfs/dbraw/zinc/06/24/17/335062417.db2.gz AKTZEJDAPYVCDZ-UPJWGTAASA-N 0 3 263.385 2.010 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H](CO)C(C)(C)C ZINC000193106257 533271822 /nfs/dbraw/zinc/27/18/22/533271822.db2.gz QNJIYIGOAQYHQT-CQSZACIVSA-N 0 3 262.353 2.063 20 30 CEEDHN C=CCCCNC(=O)N(CCC)CCN1CCCC1 ZINC000355605848 394475185 /nfs/dbraw/zinc/47/51/85/394475185.db2.gz WHWFBIQCAGZLBB-UHFFFAOYSA-N 0 3 267.417 2.470 20 30 CEEDHN N#Cc1cnc(NCCN2CCCCCC2)c(F)c1 ZINC000413053902 394475886 /nfs/dbraw/zinc/47/58/86/394475886.db2.gz OULMCGQEIPKUHV-UHFFFAOYSA-N 0 3 262.332 2.380 20 30 CEEDHN CC(C)(C)CC[C@H](CO)NCc1ccc(C#N)o1 ZINC000355728524 394514748 /nfs/dbraw/zinc/51/47/48/394514748.db2.gz KEZVFIWIXAWJKO-LLVKDONJSA-N 0 3 250.342 2.428 20 30 CEEDHN C[C@@H](NCCn1ccnc1)c1ccc(OCC#N)cc1 ZINC000041119555 394500450 /nfs/dbraw/zinc/50/04/50/394500450.db2.gz COEKOVREOKWZMJ-CYBMUJFWSA-N 0 3 270.336 2.136 20 30 CEEDHN CCN1CCC[C@H]1CNc1nc2c(cc1C#N)CCC2 ZINC000044347054 394505520 /nfs/dbraw/zinc/50/55/20/394505520.db2.gz GVJHECCBRKIFSF-AWEZNQCLSA-N 0 3 270.380 2.338 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000329484007 394566987 /nfs/dbraw/zinc/56/69/87/394566987.db2.gz QGUFESJYXCBSTM-XJKSGUPXSA-N 0 3 297.402 2.454 20 30 CEEDHN CCC[NH+]1CCC(NC(=O)c2csc(=O)[n-]2)CC1 ZINC000329905802 394593374 /nfs/dbraw/zinc/59/33/74/394593374.db2.gz JSQAQUWHNNBTNT-UHFFFAOYSA-N 0 3 269.370 2.028 20 30 CEEDHN CC1(C)CC[C@H](NC(=O)N[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000329538142 394570782 /nfs/dbraw/zinc/57/07/82/394570782.db2.gz BWBXKPNVMWNVJZ-MNOVXSKESA-N 0 3 276.384 2.349 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000421709058 394572421 /nfs/dbraw/zinc/57/24/21/394572421.db2.gz CGIMXMSSFKBFDY-YESZJQIVSA-N 0 3 297.402 2.214 20 30 CEEDHN CCc1nc(CCNC(=O)CN2[C@H](C)CC[C@@H]2C)no1 ZINC000329910879 394594316 /nfs/dbraw/zinc/59/43/16/394594316.db2.gz WCZOEINORAYLFG-PHIMTYICSA-N 0 3 280.372 2.004 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)Nc2cn(C)nc2C2CC2)CCN1C ZINC000329800737 394586332 /nfs/dbraw/zinc/58/63/32/394586332.db2.gz IREGTQSUWOOSJD-ZYHUDNBSSA-N 0 3 291.399 2.106 20 30 CEEDHN CCCN(CCN1CCCC1)c1ncc(C#N)cc1F ZINC000413286661 394518815 /nfs/dbraw/zinc/51/88/15/394518815.db2.gz ZKCLERAWAUDPER-UHFFFAOYSA-N 0 3 276.359 2.405 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000246607611 394519003 /nfs/dbraw/zinc/51/90/03/394519003.db2.gz GNXPJYLBNIYRPQ-RDJZCZTQSA-N 0 3 299.418 2.273 20 30 CEEDHN N#CCN(CC#N)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000413295987 394520044 /nfs/dbraw/zinc/52/00/44/394520044.db2.gz HOYYJJOIBRXWJX-UHFFFAOYSA-N 0 3 296.374 2.162 20 30 CEEDHN C=CC[C@H](CO)CNCc1cncc(Br)c1 ZINC000309599205 394531333 /nfs/dbraw/zinc/53/13/33/394531333.db2.gz VXDKLOSOVMWSKR-JTQLQIEISA-N 0 3 285.185 2.118 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCc2nn(C)cc21 ZINC000329854641 394590504 /nfs/dbraw/zinc/59/05/04/394590504.db2.gz WQJBDNOXSFHXOA-OLZOCXBDSA-N 0 3 290.411 2.281 20 30 CEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C1(C#N)CCCC1 ZINC000049119178 394542147 /nfs/dbraw/zinc/54/21/47/394542147.db2.gz 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ZINC000346301373 395094720 /nfs/dbraw/zinc/09/47/20/395094720.db2.gz PRTZYJODDPSHRT-WCQYABFASA-N 0 3 250.342 2.096 20 30 CEEDHN C=C1CCN(CCc2c(C)nc3ccccn3c2=O)CC1 ZINC000290129411 395095063 /nfs/dbraw/zinc/09/50/63/395095063.db2.gz ZJRMCJBUMYLXJF-UHFFFAOYSA-N 0 3 283.375 2.197 20 30 CEEDHN CC(C)C[C@H]1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346379062 395097062 /nfs/dbraw/zinc/09/70/62/395097062.db2.gz GNUCLSWNKAMQDJ-UONOGXRCSA-N 0 3 277.412 2.305 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000346376088 395097520 /nfs/dbraw/zinc/09/75/20/395097520.db2.gz CPZAVKRVYKXUEP-MISXGVKJSA-N 0 3 276.311 2.274 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCN1C ZINC000286902866 395031003 /nfs/dbraw/zinc/03/10/03/395031003.db2.gz FKHNQNCFVNHUIS-IAGOWNOFSA-N 0 3 299.418 2.014 20 30 CEEDHN CCn1cc(CNC(=O)C(C#N)CCc2ccccc2)cn1 ZINC000343129956 395031724 /nfs/dbraw/zinc/03/17/24/395031724.db2.gz NKCHXDQPSFQELI-MRXNPFEDSA-N 0 3 296.374 2.292 20 30 CEEDHN C=CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000287383249 395040212 /nfs/dbraw/zinc/04/02/12/395040212.db2.gz UUDLCDXHSMXSEL-DZGCQCFKSA-N 0 3 273.380 2.135 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)Cc1nc[nH]c1C ZINC000287423572 395041468 /nfs/dbraw/zinc/04/14/68/395041468.db2.gz QIBQQMYQAGUDMT-HNNXBMFYSA-N 0 3 281.359 2.011 20 30 CEEDHN C#CCN(CC)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000287657774 395044623 /nfs/dbraw/zinc/04/46/23/395044623.db2.gz GYNYVZXOSIHFIA-AWEZNQCLSA-N 0 3 251.757 2.199 20 30 CEEDHN C#CC[C@@H](NC(=O)N[C@@H](C)CN(C)C)c1ccccc1 ZINC000287673673 395044931 /nfs/dbraw/zinc/04/49/31/395044931.db2.gz ITBTZCNGZIHXQC-DZGCQCFKSA-N 0 3 273.380 2.000 20 30 CEEDHN C#CCSCCN[C@@H](C)c1ccc(OC)c(O)c1 ZINC000290657535 395113556 /nfs/dbraw/zinc/11/35/56/395113556.db2.gz KLWVMAUIEJMOBW-NSHDSACASA-N 0 3 265.378 2.418 20 30 CEEDHN CC(C)C[C@H]1CCCCN1CC(=O)NC1(C#N)CCC1 ZINC000347003027 395116360 /nfs/dbraw/zinc/11/63/60/395116360.db2.gz XFAUQDLQNYVMJO-CQSZACIVSA-N 0 3 277.412 2.449 20 30 CEEDHN CCC(C)(C)[C@H]1CCCN1CC(=O)NC1(C#N)CCC1 ZINC000346982862 395116616 /nfs/dbraw/zinc/11/66/16/395116616.db2.gz OHSTXBDIWKDEDD-CYBMUJFWSA-N 0 3 277.412 2.449 20 30 CEEDHN CO[C@@H](C)[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000427598846 395123877 /nfs/dbraw/zinc/12/38/77/395123877.db2.gz JKDGRCYQNHELOK-IPYPFGDCSA-N 0 3 274.364 2.299 20 30 CEEDHN CC(C)[C@@H]1CN(C)CCN1Cc1ccc(C#N)cc1 ZINC000174699857 395127742 /nfs/dbraw/zinc/12/77/42/395127742.db2.gz NUJJXMJYYDIMRX-INIZCTEOSA-N 0 3 257.381 2.330 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NCCN1CCC[C@H](C)C1 ZINC000347637654 395127884 /nfs/dbraw/zinc/12/78/84/395127884.db2.gz UHVNYURPCDHPRX-KBPBESRZSA-N 0 3 267.417 2.372 20 30 CEEDHN CN(C)Cc1c2ccccc2oc1C(=O)N(C)CC#N ZINC000172725251 395106226 /nfs/dbraw/zinc/10/62/26/395106226.db2.gz MTJCFDWKFFEEGF-UHFFFAOYSA-N 0 3 271.320 2.090 20 30 CEEDHN CC(C)n1c(CCNC(=O)C(C)C#N)nc2ccccc21 ZINC000346823195 395108104 /nfs/dbraw/zinc/10/81/04/395108104.db2.gz CKKYHIQXZYCAPB-LBPRGKRZSA-N 0 3 284.363 2.436 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](CN2CCOC2=O)C1 ZINC000495968777 395151713 /nfs/dbraw/zinc/15/17/13/395151713.db2.gz KVZWUIJKWVWWBZ-ZFWWWQNUSA-N 0 3 299.374 2.393 20 30 CEEDHN C[C@](NCCCCC#N)(C(N)=O)c1cccc(Cl)c1 ZINC000177409421 395149931 /nfs/dbraw/zinc/14/99/31/395149931.db2.gz GELROZKXZOIXGU-CQSZACIVSA-N 0 3 279.771 2.324 20 30 CEEDHN C[C@@H]1C[C@@H]1N1CCN(Cc2nc(C#N)cs2)C[C@@H](C)C1 ZINC000430173039 395161817 /nfs/dbraw/zinc/16/18/17/395161817.db2.gz XTKBVTGJNQZTGW-BZPMIXESSA-N 0 3 290.436 2.177 20 30 CEEDHN C[C@H](CC#N)N(C)C(=O)CCN1CCc2ccccc2C1 ZINC000348886450 395154102 /nfs/dbraw/zinc/15/41/02/395154102.db2.gz SFLAMUIXGADDHM-CQSZACIVSA-N 0 3 285.391 2.195 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNc1ccc(C#N)c(N)n1)C(C)C ZINC000516663656 395182535 /nfs/dbraw/zinc/18/25/35/395182535.db2.gz WOSOMKDKIHQJNG-HNNXBMFYSA-N 0 3 299.422 2.068 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cccc(Cl)c1C ZINC000293872542 395254725 /nfs/dbraw/zinc/25/47/25/395254725.db2.gz BWXNWMYEFWXJRV-UHFFFAOYSA-N 0 3 278.783 2.333 20 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CEEDHN CS(=O)(=O)C[C@@H](NCCCCC#N)c1ccccc1 ZINC000181788714 395225086 /nfs/dbraw/zinc/22/50/86/395225086.db2.gz NUNWNZKMKPNYOP-CQSZACIVSA-N 0 3 280.393 2.056 20 30 CEEDHN C=CCC[C@H](O)CN1C[C@@H](CC)N(C(C)=O)C[C@H]1CC ZINC000351472114 395225142 /nfs/dbraw/zinc/22/51/42/395225142.db2.gz OFEXAICSTOGNRM-OAGGEKHMSA-N 0 3 282.428 2.035 20 30 CEEDHN N#Cc1ccnc(NC[C@@H]2CCN2C2CCCC2)c1 ZINC000528209909 395287797 /nfs/dbraw/zinc/28/77/97/395287797.db2.gz OBZRRUBBASDPSO-AWEZNQCLSA-N 0 3 256.353 2.382 20 30 CEEDHN C=CCC[C@@H](NCCNc1cnccn1)c1ccco1 ZINC000353392622 395296744 /nfs/dbraw/zinc/29/67/44/395296744.db2.gz GRWXDKLUNPHIMN-CYBMUJFWSA-N 0 3 272.352 2.201 20 30 CEEDHN C#CCN(C[C@@H](O)CSC)[C@@H]1CCc2ccccc21 ZINC000187756785 395305479 /nfs/dbraw/zinc/30/54/79/395305479.db2.gz GMMQCLVYZDLIKF-GDBMZVCRSA-N 0 3 275.417 2.333 20 30 CEEDHN C=CCC(C)(C)CN[C@H](c1nnc[nH]1)c1cccnc1 ZINC000293870181 395254980 /nfs/dbraw/zinc/25/49/80/395254980.db2.gz ZPMOQYYEHKGORO-ZDUSSCGKSA-N 0 3 271.368 2.481 20 30 CEEDHN OCCN(CC#Cc1ccc(Cl)cc1)CC1CC1 ZINC000352462263 395256635 /nfs/dbraw/zinc/25/66/35/395256635.db2.gz BMFBDKCRAJSJKW-UHFFFAOYSA-N 0 3 263.768 2.396 20 30 CEEDHN N#Cc1ccc([N+](=O)[O-])c(N2CCCN(C3CC3)CC2)c1 ZINC000183768263 395262656 /nfs/dbraw/zinc/26/26/56/395262656.db2.gz YVTLPDZXUFGPHY-UHFFFAOYSA-N 0 3 286.335 2.141 20 30 CEEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1(C)COC1 ZINC000352889078 395274090 /nfs/dbraw/zinc/27/40/90/395274090.db2.gz WZWAWFYTCRFXLU-UHFFFAOYSA-N 0 3 265.353 2.187 20 30 CEEDHN COc1cc(CN2CCN(C)[C@@H](C(C)C)C2)ccc1C#N ZINC000443064347 395399146 /nfs/dbraw/zinc/39/91/46/395399146.db2.gz ONKNJORBLRCQIP-MRXNPFEDSA-N 0 3 287.407 2.339 20 30 CEEDHN CC(=O)Nc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442714388 395392222 /nfs/dbraw/zinc/39/22/22/395392222.db2.gz LGQSNDQWAHQZNL-OCCSQVGLSA-N 0 3 257.337 2.427 20 30 CEEDHN CN(C)[C@@H](CNCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000189577048 395329460 /nfs/dbraw/zinc/32/94/60/395329460.db2.gz MBKXMWRGNUXFFU-KRWDZBQOSA-N 0 3 282.391 2.289 20 30 CEEDHN CO[C@@H]1CN(CCC2(C#N)CCCCC2)C[C@H]1OC ZINC000411635491 395333597 /nfs/dbraw/zinc/33/35/97/395333597.db2.gz QKHKKUOOVRVSCU-ZIAGYGMSSA-N 0 3 266.385 2.196 20 30 CEEDHN C=CCN(C)CCN(CC)[C@H](C(=O)OC)c1ccccc1 ZINC000411635985 395333871 /nfs/dbraw/zinc/33/38/71/395333871.db2.gz CRSXSJNMRCFFKW-INIZCTEOSA-N 0 3 290.407 2.340 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1nc(-c2ccoc2)no1 ZINC000411640581 395334304 /nfs/dbraw/zinc/33/43/04/395334304.db2.gz KVCFBFCIHSREIY-UHFFFAOYSA-N 0 3 290.367 2.269 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1csc(C(=O)OC)c1 ZINC000411788796 395338730 /nfs/dbraw/zinc/33/87/30/395338730.db2.gz MTKQJESXTIQICE-NEPJUHHUSA-N 0 3 281.377 2.358 20 30 CEEDHN CN(C)C(=O)[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000411937733 395343205 /nfs/dbraw/zinc/34/32/05/395343205.db2.gz GSQVZLMHVKTEJJ-CQSZACIVSA-N 0 3 290.794 2.102 20 30 CEEDHN C[C@H](CC#N)N(C)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000412169710 395350227 /nfs/dbraw/zinc/35/02/27/395350227.db2.gz CLCBNKXGVGDDDK-VOAKCMCISA-N 0 3 251.374 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C=CCCCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448034236 395508768 /nfs/dbraw/zinc/50/87/68/395508768.db2.gz GTKKCJAIFBABLB-ZDUSSCGKSA-N 0 3 267.417 2.372 20 30 CEEDHN Cc1cc(OCc2ncc(C#N)cn2)c(C)c(C)n1 ZINC000573107384 395599831 /nfs/dbraw/zinc/59/98/31/395599831.db2.gz VHFCHYYINFTQED-UHFFFAOYSA-N 0 3 254.293 2.248 20 30 CEEDHN C[C@@](CO)(NCc1ccc(C#N)cn1)C1CCCCC1 ZINC000573621799 395611922 /nfs/dbraw/zinc/61/19/22/395611922.db2.gz MMPHIVWLWFYIKK-INIZCTEOSA-N 0 3 273.380 2.374 20 30 CEEDHN Cc1cc(N2CCN(C3CC3)C[C@@H](C)C2)cc(C#N)n1 ZINC000450545899 395572436 /nfs/dbraw/zinc/57/24/36/395572436.db2.gz CHTRYFJQADQZNZ-GFCCVEGCSA-N 0 3 270.380 2.182 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2C[C@@H]3OCCC[C@@H]23)cc1F ZINC000453381298 395627983 /nfs/dbraw/zinc/62/79/83/395627983.db2.gz KTCXBOLJMPBQGN-CFVMTHIKSA-N 0 3 260.312 2.354 20 30 CEEDHN Cc1nc(NCCN(C)Cc2ccc(F)cc2)ccc1C#N ZINC000488114417 395668055 /nfs/dbraw/zinc/66/80/55/395668055.db2.gz KTFQYHDNUQXNST-UHFFFAOYSA-N 0 3 298.365 2.367 20 30 CEEDHN C#C[C@@H](NC[C@H](O)COc1ccc(OCC)cc1)C(C)C ZINC000491382168 395669273 /nfs/dbraw/zinc/66/92/73/395669273.db2.gz HSACNHFIZCXDJI-WMLDXEAASA-N 0 3 291.391 2.072 20 30 CEEDHN C#CCN(C)CCCNC(=O)C(C)(C)c1ccccc1C ZINC000491626396 395670162 /nfs/dbraw/zinc/67/01/62/395670162.db2.gz SJUPNJSGRJDGJE-UHFFFAOYSA-N 0 3 286.419 2.344 20 30 CEEDHN C#CCN(C[C@H](O)Cc1cccc(Cl)c1)C1CC1 ZINC000491668483 395670334 /nfs/dbraw/zinc/67/03/34/395670334.db2.gz YPBKYAURBGFKRU-OAHLLOKOSA-N 0 3 263.768 2.341 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(C#N)cc2)CCN1C ZINC000491935553 395670852 /nfs/dbraw/zinc/67/08/52/395670852.db2.gz YIEYLXPJYSCNQN-RDIZVCBXSA-N 0 3 283.375 2.170 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)/C=C\c2cccc(C#N)c2)CCN1C ZINC000491937877 395670872 /nfs/dbraw/zinc/67/08/72/395670872.db2.gz KKLKROSZLQNJRR-ODJAQDJBSA-N 0 3 283.375 2.170 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC2(COC(=O)N2)CC1 ZINC000492257501 395670986 /nfs/dbraw/zinc/67/09/86/395670986.db2.gz IURNWGRXAYJZLE-LBPRGKRZSA-N 0 3 285.347 2.194 20 30 CEEDHN Cn1cccc(C(=O)C(C#N)c2nc(C3CC3)cs2)c1=O ZINC000647378000 395710876 /nfs/dbraw/zinc/71/08/76/395710876.db2.gz IKHJCNSSASTNFU-LLVKDONJSA-N 0 3 299.355 2.209 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H](O)[C@H]2C)cc1OC ZINC000648799689 395987192 /nfs/dbraw/zinc/98/71/92/395987192.db2.gz OHWJILSPMMUIDY-TZMCWYRMSA-N 0 3 277.364 2.215 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([C@H](C)CO)CC1 ZINC000649803809 396261949 /nfs/dbraw/zinc/26/19/49/396261949.db2.gz QKLWJBAJEXXJSB-HUUCEWRRSA-N 0 3 296.455 2.140 20 30 CEEDHN CN(C(=O)C1(C#N)CCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309761985 400340567 /nfs/dbraw/zinc/34/05/67/400340567.db2.gz DYRDORSIKRJONH-MRXNPFEDSA-N 0 3 297.402 2.413 20 30 CEEDHN C#CCN(C)CCCNc1cc(C)c([N+](=O)[O-])cc1C#N ZINC000491268099 400590260 /nfs/dbraw/zinc/59/02/60/400590260.db2.gz XLEWCFBQGPIXBH-UHFFFAOYSA-N 0 3 286.335 2.142 20 30 CEEDHN C=CC[C@@H]1CC[C@@H](NCc2nnc3n2CCCC3)C1 ZINC000651950222 401423177 /nfs/dbraw/zinc/42/31/77/401423177.db2.gz LRQNKDVQVUPDDO-CHWSQXEVSA-N 0 3 260.385 2.449 20 30 CEEDHN C[C@H](C(=O)N1C[C@@H]2CCCN2C[C@@H]1C)c1cccc(C#N)c1 ZINC000360188567 155238510 /nfs/dbraw/zinc/23/85/10/155238510.db2.gz MSDXEIMUHGETGC-ZQIUZPCESA-N 0 3 297.402 2.357 20 30 CEEDHN Cc1nnc(SC[C@H]2CCN(C)C2)c(C#N)c1C ZINC000191067916 153155490 /nfs/dbraw/zinc/15/54/90/153155490.db2.gz RDGWISYKQNPKSZ-NSHDSACASA-N 0 3 262.382 2.009 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1cnc(C#N)cn1 ZINC000274753465 154157117 /nfs/dbraw/zinc/15/71/17/154157117.db2.gz PUDKSFVGOZJJHU-XJKSGUPXSA-N 0 3 293.374 2.281 20 30 CEEDHN COC[C@@H](Cc1ccccc1)NCc1cc(C#N)n(C)c1 ZINC000359749406 155125775 /nfs/dbraw/zinc/12/57/75/155125775.db2.gz VTSOIWXBHXBYPU-MRXNPFEDSA-N 0 3 283.375 2.244 20 30 CEEDHN N#Cc1ccc(OCCCN2CCC[C@H]3COC[C@H]32)cc1 ZINC000367081833 156128892 /nfs/dbraw/zinc/12/88/92/156128892.db2.gz VTLSNAJENWNOEN-DOTOQJQBSA-N 0 3 286.375 2.438 20 30 CEEDHN C[C@@H](CC(=O)N(C)C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000268819127 286793777 /nfs/dbraw/zinc/79/37/77/286793777.db2.gz QZWPQVPNMZYBJQ-RYUDHWBXSA-N 0 3 259.353 2.076 20 30 CEEDHN N#Cc1ccsc1C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000170684639 165040213 /nfs/dbraw/zinc/04/02/13/165040213.db2.gz RFADZFABZUYTJI-CYBMUJFWSA-N 0 3 289.404 2.320 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000178573088 165248818 /nfs/dbraw/zinc/24/88/18/165248818.db2.gz QIYCQWXGMLLGHH-CQSZACIVSA-N 0 3 284.363 2.179 20 30 CEEDHN N#Cc1cccc(OCCCN2CCC(CO)CC2)c1 ZINC000034674425 171860438 /nfs/dbraw/zinc/86/04/38/171860438.db2.gz MVFAEZPUSVLQEL-UHFFFAOYSA-N 0 3 274.364 2.031 20 30 CEEDHN CN(CCOc1ccc(C#N)cc1)[C@@H]1CCSC1 ZINC000037174829 173009920 /nfs/dbraw/zinc/00/99/20/173009920.db2.gz WGOJZEKPHHAGHT-CYBMUJFWSA-N 0 3 262.378 2.374 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000653128092 414912458 /nfs/dbraw/zinc/91/24/58/414912458.db2.gz NJEOLDVXHSMVCU-NSHDSACASA-N 0 3 259.353 2.268 20 30 CEEDHN C=CCCn1cc(CNCC[C@H]2CCO[C@@H](C)C2)nn1 ZINC000657431456 414931591 /nfs/dbraw/zinc/93/15/91/414931591.db2.gz HAAPNYCCQCNFDL-KBPBESRZSA-N 0 3 278.400 2.149 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(O[C@H](C)COC)cc1 ZINC000657436483 414937037 /nfs/dbraw/zinc/93/70/37/414937037.db2.gz VJFMRXUUSIWZOO-HIFRSBDPSA-N 0 3 279.380 2.127 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC[C@H](C)CC)CC1 ZINC000660704253 414940401 /nfs/dbraw/zinc/94/04/01/414940401.db2.gz AZFALIJBWHYUQO-CYBMUJFWSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCCn1cc(CN[C@H](C)Cc2ccc(O)cc2)nn1 ZINC000657348186 414876864 /nfs/dbraw/zinc/87/68/64/414876864.db2.gz NDYHLFLHOGSDSQ-CYBMUJFWSA-N 0 3 286.379 2.281 20 30 CEEDHN C=CCCn1cc(CNCC2CCC(OC)CC2)nn1 ZINC000657388450 414904387 /nfs/dbraw/zinc/90/43/87/414904387.db2.gz LOXPNFZEBUQNFB-UHFFFAOYSA-N 0 3 278.400 2.149 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000660886011 415020830 /nfs/dbraw/zinc/02/08/30/415020830.db2.gz CSUYJECYNOZFDH-IIAWOOMASA-N 0 3 291.439 2.467 20 30 CEEDHN C=CCCNCc1c(C)nn(C)c1OCC(F)(F)F ZINC000657582855 415011265 /nfs/dbraw/zinc/01/12/65/415011265.db2.gz JOEHXOYVVWLKAW-UHFFFAOYSA-N 0 3 277.290 2.335 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(O[C@H]2CCOC2)cc1 ZINC000657482020 414961440 /nfs/dbraw/zinc/96/14/40/414961440.db2.gz NYKIVPWRWAJQER-BBWFWOEESA-N 0 3 289.375 2.287 20 30 CEEDHN C=CCOCCCNCc1c(C(F)(F)F)cnn1C ZINC000657658950 415040793 /nfs/dbraw/zinc/04/07/93/415040793.db2.gz LHFHWLPKNQCXER-UHFFFAOYSA-N 0 3 277.290 2.121 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N[C@H]1CCN(CCC)C1 ZINC000661236115 415149668 /nfs/dbraw/zinc/14/96/68/415149668.db2.gz XNKPPWKYZPBGPP-ZDUSSCGKSA-N 0 3 267.417 2.372 20 30 CEEDHN OC[C@@H](NCC#Cc1ccccc1Cl)C1CCC1 ZINC000661151807 415113598 /nfs/dbraw/zinc/11/35/98/415113598.db2.gz OFINNAPWGTZSHX-OAHLLOKOSA-N 0 3 263.768 2.442 20 30 CEEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnnn1C1CC1 ZINC000657922437 415124222 /nfs/dbraw/zinc/12/42/22/415124222.db2.gz ONKDXLRZHGVAFS-WCQYABFASA-N 0 3 261.373 2.233 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](C)N(C)C ZINC000661275749 415174516 /nfs/dbraw/zinc/17/45/16/415174516.db2.gz ROLKLGDUULBDIY-BFHYXJOUSA-N 0 3 267.417 2.371 20 30 CEEDHN CCN(CC)[C@H](CNC(=O)[C@H](C)C#N)c1ccccc1 ZINC000044809441 175257768 /nfs/dbraw/zinc/25/77/68/175257768.db2.gz SWPJXHTVNRPUDQ-UKRRQHHQSA-N 0 3 273.380 2.345 20 30 CEEDHN C=CCCN(C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000661510465 415304894 /nfs/dbraw/zinc/30/48/94/415304894.db2.gz UPQZKJRCXWTCQM-GFCCVEGCSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cn2ccccc2n1 ZINC000655737127 415421354 /nfs/dbraw/zinc/42/13/54/415421354.db2.gz VTZZRKKIPVKUJS-QWHCGFSZSA-N 0 3 259.353 2.170 20 30 CEEDHN O[C@@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C12CCC2 ZINC000661831653 415485741 /nfs/dbraw/zinc/48/57/41/415485741.db2.gz QDXLEMDGOZICOR-HUUCEWRRSA-N 0 3 259.324 2.070 20 30 CEEDHN C=C(CC)CNC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000665062486 415569433 /nfs/dbraw/zinc/56/94/33/415569433.db2.gz DXXDQIXMFHNEPZ-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCc2ccccc21 ZINC000662199844 415680275 /nfs/dbraw/zinc/68/02/75/415680275.db2.gz ATGOIMBBUKHLKM-HIFRSBDPSA-N 0 3 272.392 2.339 20 30 CEEDHN C[C@H](CNc1nc2ccccc2cc1C#N)N(C)C ZINC000071385814 176147595 /nfs/dbraw/zinc/14/75/95/176147595.db2.gz VKLNPMOLAZRGMR-LLVKDONJSA-N 0 3 254.337 2.468 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000665557583 415777796 /nfs/dbraw/zinc/77/77/96/415777796.db2.gz ZFCAHROCQRPMPT-CYBMUJFWSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCCCN(C)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000659941289 415796667 /nfs/dbraw/zinc/79/66/67/415796667.db2.gz MEMMOHONQPSGMC-HZSPNIEDSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCCCN(C)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000659941290 415797522 /nfs/dbraw/zinc/79/75/22/415797522.db2.gz MEMMOHONQPSGMC-MELADBBJSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCOCCCNC(=O)NCC(C)(C)N1CCCCC1 ZINC000660248060 415940260 /nfs/dbraw/zinc/94/02/60/415940260.db2.gz CUZFXIQLCMJXFL-UHFFFAOYSA-N 0 3 297.443 2.143 20 30 CEEDHN CC[C@H]1CCCCN1CC(=O)N(CC)CCC#N ZINC000076425653 177023757 /nfs/dbraw/zinc/02/37/57/177023757.db2.gz ZMFFWLGDOSYQHX-ZDUSSCGKSA-N 0 3 251.374 2.013 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N(C)CCCc1ccccc1 ZINC000076988835 177139043 /nfs/dbraw/zinc/13/90/43/177139043.db2.gz DNXFOEQSNGZOLV-HNNXBMFYSA-N 0 3 287.407 2.312 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)c1cccc(CC#N)c1 ZINC000078428109 177340514 /nfs/dbraw/zinc/34/05/14/177340514.db2.gz QRRISMLHPNISNV-CQSZACIVSA-N 0 3 285.391 2.357 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccccc2)CC1 ZINC000078545618 177352224 /nfs/dbraw/zinc/35/22/24/177352224.db2.gz MHNIDPFUYLOLNW-UHFFFAOYSA-N 0 3 287.407 2.478 20 30 CEEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C(C)C#N ZINC000344744756 225148907 /nfs/dbraw/zinc/14/89/07/225148907.db2.gz XTLJAFAYNWJHKE-NXEZZACHSA-N 0 3 262.357 2.283 20 30 CEEDHN CC(C#N)C(=O)N1CCC(OC2CCCCC2)CC1 ZINC000334675291 225244631 /nfs/dbraw/zinc/24/46/31/225244631.db2.gz WPMGJJWSOXYZIH-GFCCVEGCSA-N 0 3 264.369 2.486 20 30 CEEDHN CC(C#N)C(=O)NCCOc1ccc2ccccc2c1 ZINC000347055004 226007445 /nfs/dbraw/zinc/00/74/45/226007445.db2.gz AGYIOPUYUKCKPQ-GFCCVEGCSA-N 0 3 268.316 2.494 20 30 CEEDHN COc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1F ZINC000347048532 226028097 /nfs/dbraw/zinc/02/80/97/226028097.db2.gz MGVQXOXAPJXCCQ-DTWKUNHWSA-N 0 3 250.273 2.171 20 30 CEEDHN N#CC(C(=O)c1cc[nH]c1C1CC1)c1ccncn1 ZINC000347855073 226379413 /nfs/dbraw/zinc/37/94/13/226379413.db2.gz CDTPKAWNIIMURK-NSHDSACASA-N 0 3 252.277 2.172 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(N3CCCC3)nc2)C1 ZINC000349827851 226860482 /nfs/dbraw/zinc/86/04/82/226860482.db2.gz KHMBHHDKGDDXQO-UKRRQHHQSA-N 0 3 270.380 2.464 20 30 CEEDHN N#CC(C(=O)c1ccc(F)c(F)c1)c1ccncn1 ZINC000354471620 227007077 /nfs/dbraw/zinc/00/70/77/227007077.db2.gz OINVWKMMYQBPNK-SECBINFHSA-N 0 3 259.215 2.245 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(CC#N)cc2)CCN1C ZINC000336481443 227056101 /nfs/dbraw/zinc/05/61/01/227056101.db2.gz ZDEMFZAUMVCBKV-SWLSCSKDSA-N 0 3 286.379 2.357 20 30 CEEDHN CC(C#N)C(=O)N1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000336576818 227130646 /nfs/dbraw/zinc/13/06/46/227130646.db2.gz QMPKGESHQIMEHH-NEPJUHHUSA-N 0 3 275.327 2.022 20 30 CEEDHN N#C[C@@H]1CCC[C@H]1NC[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000331398896 228097209 /nfs/dbraw/zinc/09/72/09/228097209.db2.gz GUQVWCDARYQCFT-HYVNUMGLSA-N 0 3 297.402 2.431 20 30 CEEDHN N#C[C@H]1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1 ZINC000336120544 228192416 /nfs/dbraw/zinc/19/24/16/228192416.db2.gz APYNMUVAOAPFOZ-DLBZAZTESA-N 0 3 269.392 2.496 20 30 CEEDHN C=CCC[C@H](CO)NCc1cccc(OC)c1F ZINC000320699632 419487977 /nfs/dbraw/zinc/48/79/77/419487977.db2.gz XWSOSCIZBHXVRI-GFCCVEGCSA-N 0 3 253.317 2.251 20 30 CEEDHN C=C[C@](C)(O)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000665873064 419467717 /nfs/dbraw/zinc/46/77/17/419467717.db2.gz PLMDPWTWOOOYHR-WBVHZDCISA-N 0 3 290.407 2.123 20 30 CEEDHN C=CCC[C@H](NC[C@@H]1CCCNC1=O)c1ccco1 ZINC000666186405 419573440 /nfs/dbraw/zinc/57/34/40/419573440.db2.gz RUGGBAFPCXKRPY-STQMWFEESA-N 0 3 262.353 2.403 20 30 CEEDHN C=CCCCN(C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000667797180 419810243 /nfs/dbraw/zinc/81/02/43/419810243.db2.gz FYSGVVGSCIREDK-UHFFFAOYSA-N 0 3 274.368 2.157 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)[C@@H](N)C(C)C ZINC000297377824 260119558 /nfs/dbraw/zinc/11/95/58/260119558.db2.gz MMTVDAVSMXZXLY-HNNXBMFYSA-N 0 3 260.381 2.227 20 30 CEEDHN C#CCN(C)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000298506768 260155860 /nfs/dbraw/zinc/15/58/60/260155860.db2.gz KJYKZUGYXFKFIA-UHFFFAOYSA-N 0 3 280.755 2.242 20 30 CEEDHN C#CC(C)(C)N(C)CCC(=O)Nc1ccccc1F ZINC000298629592 260159176 /nfs/dbraw/zinc/15/91/76/260159176.db2.gz VTHCOAWELLYIMH-UHFFFAOYSA-N 0 3 262.328 2.498 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448259705 261068970 /nfs/dbraw/zinc/06/89/70/261068970.db2.gz GHZVLMURMNJMMQ-CQSZACIVSA-N 0 3 279.428 2.490 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1c(C)cccc1C ZINC000490973402 261273537 /nfs/dbraw/zinc/27/35/37/261273537.db2.gz KQUBRICVVPLREW-UONOGXRCSA-N 0 3 258.365 2.092 20 30 CEEDHN C[C@H]1CC[C@H](C(N)=O)CN1CC#Cc1ccc(Cl)cc1 ZINC000177118696 261332990 /nfs/dbraw/zinc/33/29/90/261332990.db2.gz SATJPIULOZOLEZ-JSGCOSHPSA-N 0 3 290.794 2.277 20 30 CEEDHN C#C[C@H](CCC)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000491231230 261381891 /nfs/dbraw/zinc/38/18/91/261381891.db2.gz RISLRZFCNHTDJD-HIFRSBDPSA-N 0 3 277.412 2.104 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000491427156 261577086 /nfs/dbraw/zinc/57/70/86/261577086.db2.gz JGPDMSZODXVVAQ-WFASDCNBSA-N 0 3 268.376 2.117 20 30 CEEDHN N#CC1CCN(CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000188982747 262165334 /nfs/dbraw/zinc/16/53/34/262165334.db2.gz PZDIBJQKIBLSBF-UHFFFAOYSA-N 0 3 297.402 2.197 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NCCn2c3ccccc3[nH]c2=O)C1 ZINC000193015321 262214452 /nfs/dbraw/zinc/21/44/52/262214452.db2.gz LPGWOWOCMKIUIM-CHWSQXEVSA-N 0 3 284.363 2.002 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)c1cccc(F)c1C#N ZINC000188264908 262288060 /nfs/dbraw/zinc/28/80/60/262288060.db2.gz GLBWPDAVFJKQKY-LBPRGKRZSA-N 0 3 289.354 2.302 20 30 CEEDHN C=CCN(CC=C)C[C@](C)(O)CN(C)C(=O)OC(C)(C)C ZINC000496979149 262360836 /nfs/dbraw/zinc/36/08/36/262360836.db2.gz OHQIHUFZMSEFRX-MRXNPFEDSA-N 0 3 298.427 2.278 20 30 CEEDHN Cc1nsc(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1C#N ZINC000488751292 262389896 /nfs/dbraw/zinc/38/98/96/262389896.db2.gz MTIRRLJDMXTVKR-UHIISALHSA-N 0 3 290.436 2.490 20 30 CEEDHN CCOC(=O)C1CCC(NCC(C)(C)C#N)CC1 ZINC000336784911 262394657 /nfs/dbraw/zinc/39/46/57/262394657.db2.gz AEUZYRCGTSYPJG-UHFFFAOYSA-N 0 3 252.358 2.248 20 30 CEEDHN CCN(CC)C(=O)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000338941640 262574366 /nfs/dbraw/zinc/57/43/66/262574366.db2.gz KJYSDDNYAOXVMU-HIFRSBDPSA-N 0 3 277.412 2.259 20 30 CEEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)NC(=O)CO2 ZINC000339070512 262592814 /nfs/dbraw/zinc/59/28/14/262592814.db2.gz ZGWCHJKMAIPONI-DMDPSCGWSA-N 0 3 285.347 2.360 20 30 CEEDHN Cn1ccc(CNCc2ccc(OCC#N)cc2)c1 ZINC000270677742 262990334 /nfs/dbraw/zinc/99/03/34/262990334.db2.gz XUZVLILSBNIWGY-UHFFFAOYSA-N 0 3 255.321 2.217 20 30 CEEDHN CCN1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000271978154 263000807 /nfs/dbraw/zinc/00/08/07/263000807.db2.gz UUXCVZWICMHJNV-UHFFFAOYSA-N 0 3 297.402 2.410 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)NCCCC#N)c1 ZINC000272993369 263010502 /nfs/dbraw/zinc/01/05/02/263010502.db2.gz XVVIQJRENHGLMB-UHFFFAOYSA-N 0 3 260.341 2.173 20 30 CEEDHN Cn1cc(CNCCCC#N)c(-c2ccc(C#N)cc2)n1 ZINC000273078307 263012233 /nfs/dbraw/zinc/01/22/33/263012233.db2.gz PZOXSNPRURXZCY-UHFFFAOYSA-N 0 3 279.347 2.352 20 30 CEEDHN CCS(=O)(=O)c1ccc([C@H](C)NCCCC#N)cc1 ZINC000273311537 263015299 /nfs/dbraw/zinc/01/52/99/263015299.db2.gz WTBPPIDPSXPUAE-LBPRGKRZSA-N 0 3 280.393 2.435 20 30 CEEDHN CN(C)Cc1ccc(C(N)=NOC2CCCC2)cc1 ZINC000273425975 263016692 /nfs/dbraw/zinc/01/66/92/263016692.db2.gz JBINKXGDXLFALT-UHFFFAOYSA-N 0 3 261.369 2.328 20 30 CEEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000274846586 263031078 /nfs/dbraw/zinc/03/10/78/263031078.db2.gz VBTRUDAPIGLPAK-GFCCVEGCSA-N 0 3 291.399 2.210 20 30 CEEDHN CC(C)N(CCCC#N)C[C@@H](O)COc1ccccc1 ZINC000277923022 263044605 /nfs/dbraw/zinc/04/46/05/263044605.db2.gz ZRBPXRKMSLGZRO-OAHLLOKOSA-N 0 3 276.380 2.440 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCCC2)cc1 ZINC000280106904 263058886 /nfs/dbraw/zinc/05/88/86/263058886.db2.gz XPCKYMCUWHUBEN-HNNXBMFYSA-N 0 3 267.332 2.253 20 30 CEEDHN CC1(C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280314743 263060134 /nfs/dbraw/zinc/06/01/34/263060134.db2.gz IFBDEMFKRIYYLA-OAHLLOKOSA-N 0 3 281.359 2.499 20 30 CEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000280522286 263062528 /nfs/dbraw/zinc/06/25/28/263062528.db2.gz RWYUHRROAPDWIP-XJKCOSOUSA-N 0 3 281.359 2.355 20 30 CEEDHN CN(C)CC1(NC(=O)Nc2ccc(CC#N)cc2)CCC1 ZINC000281271915 263067762 /nfs/dbraw/zinc/06/77/62/263067762.db2.gz GALZOJTYHDGUFL-UHFFFAOYSA-N 0 3 286.379 2.358 20 30 CEEDHN COc1ccc(CN(C)CCCO)cc1OCCCC#N ZINC000281703713 263071341 /nfs/dbraw/zinc/07/13/41/263071341.db2.gz HEEJZUPRWCHLAX-UHFFFAOYSA-N 0 3 292.379 2.192 20 30 CEEDHN Cn1nccc1C1=CCN(CCCSCC#N)CC1 ZINC000285491476 263093175 /nfs/dbraw/zinc/09/31/75/263093175.db2.gz DQPJBZTVAXOMHR-UHFFFAOYSA-N 0 3 276.409 2.156 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc(OC)c(OCCCC#N)c1 ZINC000289796894 263112044 /nfs/dbraw/zinc/11/20/44/263112044.db2.gz KPPFLQDJDGQDHQ-AWEZNQCLSA-N 0 3 290.363 2.014 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCCC#N)C(C)C ZINC000292334291 263131186 /nfs/dbraw/zinc/13/11/86/263131186.db2.gz AZOUWSMSCQZIQP-HNNXBMFYSA-N 0 3 277.412 2.495 20 30 CEEDHN N#CCCOCCN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000293648959 263145983 /nfs/dbraw/zinc/14/59/83/263145983.db2.gz XXRQLHZZXHFQKW-KRWDZBQOSA-N 0 3 288.391 2.362 20 30 CEEDHN C[C@H](C#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000340436721 263147122 /nfs/dbraw/zinc/14/71/22/263147122.db2.gz PCJKSYRIFQBPJX-CYBMUJFWSA-N 0 3 271.364 2.314 20 30 CEEDHN C[C@@H](NCCOCCC#N)c1cccc([N+](=O)[O-])c1 ZINC000293790173 263149635 /nfs/dbraw/zinc/14/96/35/263149635.db2.gz MJRAQWNIVHCSEM-LLVKDONJSA-N 0 3 263.297 2.176 20 30 CEEDHN Cc1ccnc(OC2CCN(CCOCCC#N)CC2)c1 ZINC000294509198 263163313 /nfs/dbraw/zinc/16/33/13/263163313.db2.gz IPORYBJZUGLWAR-UHFFFAOYSA-N 0 3 289.379 2.164 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(CF)CC2)cc1 ZINC000295538112 263179233 /nfs/dbraw/zinc/17/92/33/263179233.db2.gz CHKGFGOHOUNXKX-MRXNPFEDSA-N 0 3 299.349 2.449 20 30 CEEDHN CS[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000295536106 263179237 /nfs/dbraw/zinc/17/92/37/263179237.db2.gz KJHZCJUUVHTLCX-CABCVRRESA-N 0 3 299.399 2.204 20 30 CEEDHN CCN1CCC(NC(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000298471704 263219970 /nfs/dbraw/zinc/21/99/70/263219970.db2.gz QTUCTLMNIIAILW-UHFFFAOYSA-N 0 3 286.379 2.358 20 30 CEEDHN Cc1csc(NC(=O)C(C#N)c2cc(C)nc(C)n2)n1 ZINC000340760839 263304896 /nfs/dbraw/zinc/30/48/96/263304896.db2.gz NTAOZOPFLLUXDX-JTQLQIEISA-N 0 3 287.348 2.104 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000340847075 263306327 /nfs/dbraw/zinc/30/63/27/263306327.db2.gz GIPMXRLEGJRSTQ-JJRVBVJISA-N 0 3 294.439 2.369 20 30 CEEDHN CC(C#N)C(=O)NCc1cc(-c2ccccc2)on1 ZINC000341238134 263328264 /nfs/dbraw/zinc/32/82/64/263328264.db2.gz UDECBJHYJOBKTJ-SNVBAGLBSA-N 0 3 255.277 2.117 20 30 CEEDHN C=CC[C@H](CO)NCc1nc2ccc(OC)cc2s1 ZINC000341433603 263338178 /nfs/dbraw/zinc/33/81/78/263338178.db2.gz NMBGORHRIYLFOY-SNVBAGLBSA-N 0 3 278.377 2.332 20 30 CEEDHN CCN(CCC#N)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415887719 263652764 /nfs/dbraw/zinc/65/27/64/263652764.db2.gz YAGXNPJWWUJHSB-UHFFFAOYSA-N 0 3 272.352 2.100 20 30 CEEDHN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000328624626 263830065 /nfs/dbraw/zinc/83/00/65/263830065.db2.gz ZRKFBSWKSYTECB-VHRBIJSZSA-N 0 3 279.384 2.325 20 30 CEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(C)(C)C#N)C1 ZINC000330378207 263918630 /nfs/dbraw/zinc/91/86/30/263918630.db2.gz RERCIPZCOXFMET-UKRRQHHQSA-N 0 3 285.391 2.488 20 30 CEEDHN C#C[C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000874863189 649858162 /nfs/dbraw/zinc/85/81/62/649858162.db2.gz KANNGTKMKGOXHL-KBUPBQIOSA-N 0 3 262.397 2.167 20 30 CEEDHN CCCCN1CCCC[C@H]1CNC(=O)c1nccnc1N ZINC000330768312 264033239 /nfs/dbraw/zinc/03/32/39/264033239.db2.gz XXBJBFGONHQNTF-LBPRGKRZSA-N 0 3 291.399 2.018 20 30 CEEDHN CCCn1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cn1 ZINC000330779240 264036168 /nfs/dbraw/zinc/03/61/68/264036168.db2.gz CETBWADUPTXTSS-DGCLKSJQSA-N 0 3 264.373 2.080 20 30 CEEDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000330890019 264064273 /nfs/dbraw/zinc/06/42/73/264064273.db2.gz BQUJAPHEJRRLOR-MWLCHTKSSA-N 0 3 292.339 2.086 20 30 CEEDHN COCCN1CC[C@H](NC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)C1 ZINC000330853726 264068632 /nfs/dbraw/zinc/06/86/32/264068632.db2.gz RFZDZWNFTDRVJX-ZQDZILKHSA-N 0 3 297.443 2.035 20 30 CEEDHN CC[C@@H](C)n1ncc(NC(=O)NCCN(C)C)c1C ZINC000331145754 264137568 /nfs/dbraw/zinc/13/75/68/264137568.db2.gz SIQDMHBFEMMXNY-SNVBAGLBSA-N 0 3 267.377 2.050 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000331197181 264159324 /nfs/dbraw/zinc/15/93/24/264159324.db2.gz NYIHXTAMUBJFPV-ARFHVFGLSA-N 0 3 286.375 2.179 20 30 CEEDHN C=CCc1cc(CN(CCC)CCO)cc(OC)c1O ZINC000161210031 264279398 /nfs/dbraw/zinc/27/93/98/264279398.db2.gz WEOMJFPLRNPWSQ-UHFFFAOYSA-N 0 3 279.380 2.334 20 30 CEEDHN C[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)N1CCCC[C@@H]1C ZINC000425406725 264284108 /nfs/dbraw/zinc/28/41/08/264284108.db2.gz PSQPZZQAGWMUNO-ZQDZILKHSA-N 0 3 292.427 2.241 20 30 CEEDHN Cc1c(C#N)c(NCCN2CCCC2)nc2ccccc12 ZINC000450272713 269986178 /nfs/dbraw/zinc/98/61/78/269986178.db2.gz CMKPUBYJZDKDNT-UHFFFAOYSA-N 0 3 280.375 2.345 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000297209229 265041362 /nfs/dbraw/zinc/04/13/62/265041362.db2.gz DXCAXJJSZHCXCJ-AWEZNQCLSA-N 0 3 277.412 2.244 20 30 CEEDHN CCN(CCNC(=O)C1(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000186573410 266125201 /nfs/dbraw/zinc/12/52/01/266125201.db2.gz XTIWAJYMNVBHBW-UHFFFAOYSA-N 0 3 297.402 2.190 20 30 CEEDHN CC[C@@]1(CNC(=O)C(C)C#N)OCCc2ccccc21 ZINC000356686418 266159186 /nfs/dbraw/zinc/15/91/86/266159186.db2.gz UXGCIAZSDNIFNT-WBMJQRKESA-N 0 3 272.348 2.140 20 30 CEEDHN CCC1(CC)[C@H](NC(=O)C(C)C#N)[C@H](C)[C@@H]1OC ZINC000356854398 266192823 /nfs/dbraw/zinc/19/28/23/266192823.db2.gz PERSIKJPSKHSOA-KXNHARMFSA-N 0 3 252.358 2.102 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@H](C)C2(CCC2)C1 ZINC000357029651 266235234 /nfs/dbraw/zinc/23/52/34/266235234.db2.gz WBCYPWIIMWOXNI-CHWSQXEVSA-N 0 3 250.386 2.189 20 30 CEEDHN C[C@H](C#N)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000357793757 266363482 /nfs/dbraw/zinc/36/34/82/266363482.db2.gz ICJBOMKOMGYJMF-UKRRQHHQSA-N 0 3 271.364 2.099 20 30 CEEDHN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C(C)C#N ZINC000357841248 266375450 /nfs/dbraw/zinc/37/54/50/266375450.db2.gz VHPCLEDHSWMOSJ-LLVKDONJSA-N 0 3 282.347 2.265 20 30 CEEDHN COc1ccc([C@H](OC)[C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000357982662 266394105 /nfs/dbraw/zinc/39/41/05/266394105.db2.gz RNBORFKHQPLXCS-MISXGVKJSA-N 0 3 276.336 2.047 20 30 CEEDHN CC#CCCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000361647947 266865305 /nfs/dbraw/zinc/86/53/05/266865305.db2.gz MWRXJPWDTHUFPA-OAHLLOKOSA-N 0 3 277.412 2.060 20 30 CEEDHN CCCCN(C)CCNC(=O)c1ccc(C#N)s1 ZINC000487629559 267005705 /nfs/dbraw/zinc/00/57/05/267005705.db2.gz GKQKQFDCCYIOJO-UHFFFAOYSA-N 0 3 265.382 2.081 20 30 CEEDHN CCN(CC)[C@H](CNc1cncc(C#N)n1)c1ccco1 ZINC000420591041 267061503 /nfs/dbraw/zinc/06/15/03/267061503.db2.gz XUEUZSNILCPWSI-CYBMUJFWSA-N 0 3 285.351 2.436 20 30 CEEDHN C#CCCN1CCC[C@H]1c1ccc(CNC(C)=O)o1 ZINC000368759494 267201499 /nfs/dbraw/zinc/20/14/99/267201499.db2.gz AOSAZOBIJNXMPP-AWEZNQCLSA-N 0 3 260.337 2.076 20 30 CEEDHN COCc1nccc([C@@H]2CCCN(CCCCC#N)C2)n1 ZINC000368877431 267210617 /nfs/dbraw/zinc/21/06/17/267210617.db2.gz WAPYFXFKCXWBIO-CQSZACIVSA-N 0 3 288.395 2.496 20 30 CEEDHN C#CCCN(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000369126507 267222435 /nfs/dbraw/zinc/22/24/35/267222435.db2.gz LQEPKJOIDKSUGM-STQMWFEESA-N 0 3 281.400 2.011 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@@H](COC)C1 ZINC000369248518 267229415 /nfs/dbraw/zinc/22/94/15/267229415.db2.gz FKRBRHYHMMMKAJ-OAHLLOKOSA-N 0 3 282.428 2.160 20 30 CEEDHN CC[C@H]1CN(CC)CCN1Cc1ccc(C#N)cc1OC ZINC000451746407 267230271 /nfs/dbraw/zinc/23/02/71/267230271.db2.gz ZKUCLSLGZWGCKT-INIZCTEOSA-N 0 3 287.407 2.483 20 30 CEEDHN C#CC[C@@H](C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000369747839 267263472 /nfs/dbraw/zinc/26/34/72/267263472.db2.gz FQSHTWRCNVWLHF-NVXWUHKLSA-N 0 3 299.418 2.362 20 30 CEEDHN C[C@H](C#N)Oc1ccc(CN2CCOC[C@H](C)C2)cc1 ZINC000370181215 267297484 /nfs/dbraw/zinc/29/74/84/267297484.db2.gz FUNRMYWARCQSBK-ZIAGYGMSSA-N 0 3 274.364 2.446 20 30 CEEDHN CN(CC(=O)NCc1cccc(C#N)c1)C1(C)CCCC1 ZINC000489891158 267298206 /nfs/dbraw/zinc/29/82/06/267298206.db2.gz PGVGEVPBUSDRAT-UHFFFAOYSA-N 0 3 285.391 2.439 20 30 CEEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000519699347 267314801 /nfs/dbraw/zinc/31/48/01/267314801.db2.gz FFYKEFXBXXBAOF-HDJSIYSDSA-N 0 3 289.335 2.202 20 30 CEEDHN CN1C[C@@H]2CCCN(C(=O)/C=C/c3ccc(C#N)cc3)[C@@H]2C1 ZINC000493141422 267342624 /nfs/dbraw/zinc/34/26/24/267342624.db2.gz QTIZEIXYHLQTBN-IBHATUTGSA-N 0 3 295.386 2.124 20 30 CEEDHN C#CCCN1CCC(C(=O)Nc2cccc(C)n2)CC1 ZINC000371189391 267363467 /nfs/dbraw/zinc/36/34/67/267363467.db2.gz SFAHZBLFKIJWGG-UHFFFAOYSA-N 0 3 271.364 2.064 20 30 CEEDHN N#CC1(CN[C@@H]2CCO[C@@H](C(F)(F)F)C2)CCC1 ZINC000418141468 267364021 /nfs/dbraw/zinc/36/40/21/267364021.db2.gz LBRNUDNQGULTJR-NXEZZACHSA-N 0 3 262.275 2.380 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NCCCNCc1cccnc1 ZINC000418148015 267374350 /nfs/dbraw/zinc/37/43/50/267374350.db2.gz NCWBBYSOEOLIST-OAHLLOKOSA-N 0 3 290.411 2.215 20 30 CEEDHN C#CCCCNC(=O)N1CCC[C@H](NCc2ccccc2)C1 ZINC000372115322 267513495 /nfs/dbraw/zinc/51/34/95/267513495.db2.gz GIFBDQKNDHBOPQ-KRWDZBQOSA-N 0 3 299.418 2.364 20 30 CEEDHN Cc1cc(CNC[C@@](C)(O)C(F)(F)F)ccc1C#N ZINC000444000052 267998361 /nfs/dbraw/zinc/99/83/61/267998361.db2.gz CGUKWEVIQOUSDN-GFCCVEGCSA-N 0 3 272.270 2.270 20 30 CEEDHN C=CCC[C@H](O)CN1CCCN(c2cncc(F)c2)CC1 ZINC000377239170 268058311 /nfs/dbraw/zinc/05/83/11/268058311.db2.gz MCXFYKGSEZATCB-INIZCTEOSA-N 0 3 293.386 2.060 20 30 CEEDHN N#Cc1cnccc1NC[C@H]1CCN1C1CCCCC1 ZINC000528118665 268170227 /nfs/dbraw/zinc/17/02/27/268170227.db2.gz RSPBKUCMWJVNCE-OAHLLOKOSA-N 0 3 270.380 2.194 20 30 CEEDHN N#Cc1ccc(C(=O)NC[C@H]2CCN2C2CCCCC2)nc1 ZINC000529715890 268201113 /nfs/dbraw/zinc/20/11/13/268201113.db2.gz AGWVAHDVKJKRDH-OAHLLOKOSA-N 0 3 298.390 2.090 20 30 CEEDHN N#Cc1ccc(C2=CCN(C[C@H]3COCCO3)CC2)cc1 ZINC000450650522 268213087 /nfs/dbraw/zinc/21/30/87/268213087.db2.gz LVKBNRGQJCEFLP-KRWDZBQOSA-N 0 3 284.359 2.063 20 30 CEEDHN C[C@@H](C(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1cccc(C#N)c1 ZINC000425069384 271118930 /nfs/dbraw/zinc/11/89/30/271118930.db2.gz UWFQPQQNVLMNHO-XOKHGSTOSA-N 0 3 297.402 2.214 20 30 CEEDHN CS[C@@H]1CN(Cc2cccc(F)c2C#N)C[C@H]1N(C)C ZINC000428308287 271256541 /nfs/dbraw/zinc/25/65/41/271256541.db2.gz ZLJAENJPPNAZDY-HUUCEWRRSA-N 0 3 293.411 2.175 20 30 CEEDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1cccc(F)c1C#N ZINC000428307352 271256825 /nfs/dbraw/zinc/25/68/25/271256825.db2.gz UIMGONJTUFZFBV-NWDGAFQWSA-N 0 3 261.344 2.222 20 30 CEEDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(C#N)o2)C1 ZINC000335932253 273820370 /nfs/dbraw/zinc/82/03/70/273820370.db2.gz QOFUEUJSYSPPOB-ZDUSSCGKSA-N 0 3 295.342 2.284 20 30 CEEDHN Cc1nnc(NC2CCN(C3CC3)CC2)c(C#N)c1C ZINC000024055994 274871044 /nfs/dbraw/zinc/87/10/44/274871044.db2.gz BCXZUTKOVCUCLE-UHFFFAOYSA-N 0 3 271.368 2.004 20 30 CEEDHN C=CCOCCCN[C@H](C[S@@](C)=O)c1ccccc1 ZINC000348049701 275432431 /nfs/dbraw/zinc/43/24/31/275432431.db2.gz JDCRHGPVGUAHSW-DNVCBOLYSA-N 0 3 281.421 2.289 20 30 CEEDHN CNC(=O)[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246484300 277007520 /nfs/dbraw/zinc/00/75/20/277007520.db2.gz YRIBYMFYOVGTHA-IUODEOHRSA-N 0 3 271.364 2.077 20 30 CEEDHN CNC(=O)[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000118399372 277012660 /nfs/dbraw/zinc/01/26/60/277012660.db2.gz YRIBYMFYOVGTHA-DOMZBBRYSA-N 0 3 271.364 2.077 20 30 CEEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H](C)OC ZINC000182096633 277217920 /nfs/dbraw/zinc/21/79/20/277217920.db2.gz XSPSHOBMMGFDGL-CYBMUJFWSA-N 0 3 262.353 2.042 20 30 CEEDHN CC(C)(C)[C@@H](NCC(=O)NCC#N)c1ccc(F)cc1 ZINC000066496486 277227405 /nfs/dbraw/zinc/22/74/05/277227405.db2.gz DVPPTPCQXUQDIW-AWEZNQCLSA-N 0 3 277.343 2.142 20 30 CEEDHN CC(C)(C#N)CCN1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000345760373 278257622 /nfs/dbraw/zinc/25/76/22/278257622.db2.gz ULQZMCXLSOADGW-HIFRSBDPSA-N 0 3 289.423 2.402 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000362931805 278306296 /nfs/dbraw/zinc/30/62/96/278306296.db2.gz LOQYECZNIRBJAT-JLSDUUJJSA-N 0 3 299.418 2.150 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000254991044 289256493 /nfs/dbraw/zinc/25/64/93/289256493.db2.gz YCUQCBVPLKWLBZ-HLRDLLSLSA-N 0 3 283.375 2.172 20 30 CEEDHN CCN1CCC[C@H](NC(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000254991045 289256513 /nfs/dbraw/zinc/25/65/13/289256513.db2.gz YCUQCBVPLKWLBZ-QWGSZXSUSA-N 0 3 283.375 2.172 20 30 CEEDHN CN(C)[C@H]1CCCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000112830784 289368473 /nfs/dbraw/zinc/36/84/73/289368473.db2.gz CEWCYDQAQFGCRZ-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246385532 290219817 /nfs/dbraw/zinc/21/98/17/290219817.db2.gz NOMLKWABNXQNLP-SOUVJXGZSA-N 0 3 287.407 2.006 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](N2CCOCC2)[C@H]1C ZINC000351995276 290222009 /nfs/dbraw/zinc/22/20/09/290222009.db2.gz MDKDNSVQYBFFON-RKVPGOIHSA-N 0 3 299.418 2.414 20 30 CEEDHN N#Cc1c(F)cccc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000189093003 294860850 /nfs/dbraw/zinc/86/08/50/294860850.db2.gz UVSNSDXZNOAKAQ-LBPRGKRZSA-N 0 3 287.338 2.008 20 30 CEEDHN N#Cc1ccc(CNC[C@H](CO)Cc2ccco2)s1 ZINC000537317664 298209035 /nfs/dbraw/zinc/20/90/35/298209035.db2.gz JVDANPBTJDLJHQ-LLVKDONJSA-N 0 3 276.361 2.154 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(F)c(OC)c1 ZINC000186715780 327701248 /nfs/dbraw/zinc/70/12/48/327701248.db2.gz XDHDKHVSFDWURH-JQWIXIFHSA-N 0 3 253.317 2.422 20 30 CEEDHN CC(C)[C@H](CNCc1cc(C#N)cs1)N1CCOCC1 ZINC000177682810 312723257 /nfs/dbraw/zinc/72/32/57/312723257.db2.gz JWSISVIRHZSVJL-HNNXBMFYSA-N 0 3 293.436 2.066 20 30 CEEDHN C#CCN(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000491385274 327770354 /nfs/dbraw/zinc/77/03/54/327770354.db2.gz QYGCDTHWTOCQQD-MRXNPFEDSA-N 0 3 285.391 2.098 20 30 CEEDHN Cn1cc(CNCc2ccc3cnn(C)c3c2)cc1C#N ZINC000571731177 314103207 /nfs/dbraw/zinc/10/32/07/314103207.db2.gz JJIJLWUFBDMEOY-UHFFFAOYSA-N 0 3 279.347 2.073 20 30 CEEDHN C[C@H](CNC(=O)c1cc(C#N)ccc1Cl)N1CCCC1 ZINC000573512040 314162853 /nfs/dbraw/zinc/16/28/53/314162853.db2.gz RWLQWPBODOPSRA-LLVKDONJSA-N 0 3 291.782 2.426 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](NCCOC[C@H]1CCCO1)CC2 ZINC000579651965 314610156 /nfs/dbraw/zinc/61/01/56/314610156.db2.gz LKQZUFSCOLZGGH-WBVHZDCISA-N 0 3 286.375 2.331 20 30 CEEDHN COc1ccc(CC(N)=NOCCN2CCCCC2)cc1 ZINC000194387181 327883108 /nfs/dbraw/zinc/88/31/08/327883108.db2.gz GYJQUTGGYBMFOS-UHFFFAOYSA-N 0 3 291.395 2.012 20 30 CEEDHN C[C@@H](CCO)C1(CNC[C@H](C#N)CCC#N)CCC1 ZINC000563138773 327929144 /nfs/dbraw/zinc/92/91/44/327929144.db2.gz RMDOKQVDZPADNK-KBPBESRZSA-N 0 3 263.385 2.208 20 30 CEEDHN C=CCCN1CCN(c2cccc(OCC)n2)CC1 ZINC000338546747 327984699 /nfs/dbraw/zinc/98/46/99/327984699.db2.gz JHBMTBGBVHHGEO-UHFFFAOYSA-N 0 3 261.369 2.178 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000110440419 328050195 /nfs/dbraw/zinc/05/01/95/328050195.db2.gz OCULJKHYCHTUSZ-ROUUACIJSA-N 0 3 296.414 2.252 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)CCN1CCOCCC#N ZINC000293271682 328088734 /nfs/dbraw/zinc/08/87/34/328088734.db2.gz XYVVTJTWLNZWMV-INIZCTEOSA-N 0 3 287.407 2.123 20 30 CEEDHN COCC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000264817836 328162229 /nfs/dbraw/zinc/16/22/29/328162229.db2.gz CXBWWBWYACXDPO-UHFFFAOYSA-N 0 3 274.364 2.447 20 30 CEEDHN CO[C@@H]1CN(Cc2ccc(OCC#N)cc2)CC[C@H]1C ZINC000275880925 328216900 /nfs/dbraw/zinc/21/69/00/328216900.db2.gz QFYDUBFNMRSETC-CZUORRHYSA-N 0 3 274.364 2.446 20 30 CEEDHN CC(C)(C/N=C/c1ccc(O)c([O-])c1O)C[NH+]1CCCC1 ZINC000276731716 328219016 /nfs/dbraw/zinc/21/90/16/328219016.db2.gz UQXVJCGOUYTXIC-RQZCQDPDSA-N 0 3 292.379 2.344 20 30 CEEDHN C[S@](=O)C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000294526213 328281531 /nfs/dbraw/zinc/28/15/31/328281531.db2.gz JLOGUHDDWBUUMG-IBWPGLOJSA-N 0 3 276.405 2.388 20 30 CEEDHN CC1(C)C(=O)N[C@H]1C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000580396654 322314880 /nfs/dbraw/zinc/31/48/80/322314880.db2.gz ZQZVQVISDTWJLA-INIZCTEOSA-N 0 3 297.402 2.295 20 30 CEEDHN C=CCOCCN1CCC(Oc2ncccc2F)CC1 ZINC000294345589 328548635 /nfs/dbraw/zinc/54/86/35/328548635.db2.gz ZFSVKMHNODEDQJ-UHFFFAOYSA-N 0 3 280.343 2.267 20 30 CEEDHN C=CCC[C@@H](NC[C@H]1CC[C@@H](CO)O1)c1ccco1 ZINC000294358458 328548848 /nfs/dbraw/zinc/54/88/48/328548848.db2.gz QFNKNDACGAGCGM-HZSPNIEDSA-N 0 3 265.353 2.416 20 30 CEEDHN C#C[C@H](NC(=O)N(CCN(C)C)Cc1ccco1)C(C)C ZINC000298013157 326889275 /nfs/dbraw/zinc/88/92/75/326889275.db2.gz PASAONGQSOPHJS-HNNXBMFYSA-N 0 3 291.395 2.011 20 30 CEEDHN C[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)[C@H]2CCCC[C@@H]12 ZINC000584107576 326973024 /nfs/dbraw/zinc/97/30/24/326973024.db2.gz VHYKQIKFBJYSRK-BARDWOONSA-N 0 3 277.412 2.435 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC[C@@H](O)COc2ccccc2Cl)C1 ZINC000568620892 327005097 /nfs/dbraw/zinc/00/50/97/327005097.db2.gz QMFHVQHHOTYKFC-YNEHKIRRSA-N 0 3 294.782 2.362 20 30 CEEDHN N#CC1(CCN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)CCCCC1 ZINC000569086616 327033475 /nfs/dbraw/zinc/03/34/75/327033475.db2.gz ZUJUPHFNCWSOIJ-SOUVJXGZSA-N 0 3 289.423 2.436 20 30 CEEDHN CC(C)[C@@H](NC[C@@H](C#N)CCC#N)C1(CO)CCC1 ZINC000576754968 327039336 /nfs/dbraw/zinc/03/93/36/327039336.db2.gz ACDODMJXTVEMPE-ZIAGYGMSSA-N 0 3 263.385 2.207 20 30 CEEDHN CCS[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000560410593 327305339 /nfs/dbraw/zinc/30/53/39/327305339.db2.gz ZHQPCOUDYSXNSQ-RWMBFGLXSA-N 0 3 295.452 2.201 20 30 CEEDHN N#Cc1ccnc(NCC23CCCN2CCC3)c1Cl ZINC000561317349 327385278 /nfs/dbraw/zinc/38/52/78/327385278.db2.gz BDOVPQWVOMHZGL-UHFFFAOYSA-N 0 3 276.771 2.069 20 30 CEEDHN CC[C@H](CC#N)NCCCCN1C(=O)c2ccccc2C1=O ZINC000570223216 327577421 /nfs/dbraw/zinc/57/74/21/327577421.db2.gz OUNSIIUUZSABSE-CYBMUJFWSA-N 0 3 299.374 2.345 20 30 CEEDHN CN1CCC2(CCCN2C(=O)C#Cc2ccccc2)CC1 ZINC000360074291 329071466 /nfs/dbraw/zinc/07/14/66/329071466.db2.gz ILAOEASRFCDKGO-UHFFFAOYSA-N 0 3 282.387 2.125 20 30 CEEDHN C[C@@H](C(=O)NCCCCC#N)N1[C@@H](C)CC[C@@H]1C ZINC000170902479 329071783 /nfs/dbraw/zinc/07/17/83/329071783.db2.gz VLZPJLDCXLERSG-AVGNSLFASA-N 0 3 251.374 2.058 20 30 CEEDHN N#CCCCCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000171690018 329078204 /nfs/dbraw/zinc/07/82/04/329078204.db2.gz GXDPKZDRVOKGKW-HNNXBMFYSA-N 0 3 292.427 2.340 20 30 CEEDHN O[C@H](CNCC#Cc1ccccc1)COCc1ccccc1 ZINC000582720170 329130138 /nfs/dbraw/zinc/13/01/38/329130138.db2.gz CLPMGMVHJFNXIE-LJQANCHMSA-N 0 3 295.382 2.205 20 30 CEEDHN C=CCSCCNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000174421744 329158818 /nfs/dbraw/zinc/15/88/18/329158818.db2.gz BBKYHCAJTJGMOH-OLZOCXBDSA-N 0 3 285.457 2.030 20 30 CEEDHN C=CC[C@@H](C)NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176616020 329177368 /nfs/dbraw/zinc/17/73/68/329177368.db2.gz IOECEHODEAKWPP-CQSZACIVSA-N 0 3 297.443 2.140 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(Cc2ccccc2C)CC1 ZINC000178031213 329191650 /nfs/dbraw/zinc/19/16/50/329191650.db2.gz XVZZUUPLCXSPEJ-SFHVURJKSA-N 0 3 288.435 2.440 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)C1(N)CCCC1 ZINC000178121823 329196283 /nfs/dbraw/zinc/19/62/83/329196283.db2.gz FEJURARKJBUDMI-UHFFFAOYSA-N 0 3 274.364 2.139 20 30 CEEDHN C=CCN1CCC(NC(=O)c2sccc2COC)CC1 ZINC000181621548 329235245 /nfs/dbraw/zinc/23/52/45/329235245.db2.gz QLIUQXYCTPDGKX-UHFFFAOYSA-N 0 3 294.420 2.275 20 30 CEEDHN CC#CCCCC(=O)N[C@@H](C)CN1CCCCC1 ZINC000185057703 329265111 /nfs/dbraw/zinc/26/51/11/329265111.db2.gz CUCOKAAENYAQKO-AWEZNQCLSA-N 0 3 250.386 2.171 20 30 CEEDHN CC(C)N1CC[C@@H](N2CCC(CCC#N)CC2)C1=O ZINC000583142372 329321329 /nfs/dbraw/zinc/32/13/29/329321329.db2.gz RLPCXPOJUUZZMO-CQSZACIVSA-N 0 3 263.385 2.011 20 30 CEEDHN C=CCN1CCC(NC(=O)c2c(F)ccc(F)c2F)CC1 ZINC000185506619 329326032 /nfs/dbraw/zinc/32/60/32/329326032.db2.gz FFXZMPRHGYYVGW-UHFFFAOYSA-N 0 3 298.308 2.484 20 30 CEEDHN C=CC[C@@H](C)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185929539 329332855 /nfs/dbraw/zinc/33/28/55/329332855.db2.gz MZTUMHDELSEXPW-MFKMUULPSA-N 0 3 266.772 2.291 20 30 CEEDHN COc1cccc([C@@H](CNc2ccncc2C#N)N(C)C)c1 ZINC000399376341 329451861 /nfs/dbraw/zinc/45/18/61/329451861.db2.gz GUPRHSJFHSOALK-QGZVFWFLSA-N 0 3 296.374 2.099 20 30 CEEDHN CC(C)(CNC(=O)NCC1(C#N)CCC1)N1CCCCC1 ZINC000419402290 329723739 /nfs/dbraw/zinc/72/37/39/329723739.db2.gz OOKASPRRVKJWPE-UHFFFAOYSA-N 0 3 292.427 2.244 20 30 CEEDHN C=CCCCCCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000571939825 329932436 /nfs/dbraw/zinc/93/24/36/329932436.db2.gz QKQPCPYCJQRQDG-HNNXBMFYSA-N 0 3 260.381 2.419 20 30 CEEDHN COC(=O)c1cc(CN2CCC(CCC#N)CC2)c[nH]1 ZINC000572122118 329946306 /nfs/dbraw/zinc/94/63/06/329946306.db2.gz UKAFLQRVIQNXHQ-UHFFFAOYSA-N 0 3 275.352 2.317 20 30 CEEDHN CO[C@@H](C)c1nc(CNC(=N)Nc2ccccn2)cs1 ZINC000262863424 330035898 /nfs/dbraw/zinc/03/58/98/330035898.db2.gz ZZFQIVBXXUXCGH-VIFPVBQESA-N 0 3 291.380 2.172 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cn3ccccc3n2)CC1 ZINC000264473010 330061481 /nfs/dbraw/zinc/06/14/81/330061481.db2.gz JHJWRUDEUFMZON-UHFFFAOYSA-N 0 3 298.390 2.105 20 30 CEEDHN C#CCN(CC)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000270372963 330075218 /nfs/dbraw/zinc/07/52/18/330075218.db2.gz DKWKOCOEDZUZAN-CVEARBPZSA-N 0 3 285.391 2.097 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)Cc1ccc(F)cc1Cl ZINC000421839187 330092756 /nfs/dbraw/zinc/09/27/56/330092756.db2.gz WTQSCWLSZUCLSA-SNVBAGLBSA-N 0 3 284.762 2.302 20 30 CEEDHN C#CCN(Cc1ccc(-n2cncn2)c(C)c1)C1CC1 ZINC000274051229 330103261 /nfs/dbraw/zinc/10/32/61/330103261.db2.gz CDLNVWFUGCQIKA-UHFFFAOYSA-N 0 3 266.348 2.173 20 30 CEEDHN C=CCNC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433018740 330123945 /nfs/dbraw/zinc/12/39/45/330123945.db2.gz FTPKDJMJMYTXKL-HNNXBMFYSA-N 0 3 271.364 2.313 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000424058817 330218782 /nfs/dbraw/zinc/21/87/82/330218782.db2.gz APMODTJQMCOFIA-HNNXBMFYSA-N 0 3 289.354 2.338 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000424077388 330221045 /nfs/dbraw/zinc/22/10/45/330221045.db2.gz NZSKQOOBUOKUAW-QWHCGFSZSA-N 0 3 289.404 2.361 20 30 CEEDHN COc1ccc(NC(=O)[C@H](N)CCCC#N)cc1Cl ZINC000424080911 330222016 /nfs/dbraw/zinc/22/20/16/330222016.db2.gz UHTNCGCXDBJBCP-LLVKDONJSA-N 0 3 281.743 2.308 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCCc1ccc(Cl)cc1 ZINC000424084050 330222557 /nfs/dbraw/zinc/22/25/57/330222557.db2.gz YCEXBQQBENFCSV-ZDUSSCGKSA-N 0 3 279.771 2.020 20 30 CEEDHN CCC(CC)CN(CC)C(=O)[C@H](N)CCCC#N ZINC000424088903 330224307 /nfs/dbraw/zinc/22/43/07/330224307.db2.gz KAURFPKKTKSWAC-CYBMUJFWSA-N 0 3 253.390 2.292 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCCCC1CCCCC1 ZINC000424095732 330226931 /nfs/dbraw/zinc/22/69/31/330226931.db2.gz WWEYMGIGDZWZQZ-AWEZNQCLSA-N 0 3 265.401 2.484 20 30 CEEDHN CCCOc1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424105353 330234042 /nfs/dbraw/zinc/23/40/42/330234042.db2.gz VWCMAXHYWAEOMZ-HNNXBMFYSA-N 0 3 289.379 2.113 20 30 CEEDHN CC[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCCC#N ZINC000424109898 330237332 /nfs/dbraw/zinc/23/73/32/330237332.db2.gz BIYMVEVWHYTOEZ-LSDHHAIUSA-N 0 3 273.380 2.145 20 30 CEEDHN C[C@H](CNC(=O)[C@@H](N)CCCC#N)Cc1cccs1 ZINC000424128895 330259831 /nfs/dbraw/zinc/25/98/31/330259831.db2.gz RPJMONLBHVNDGC-AAEUAGOBSA-N 0 3 279.409 2.064 20 30 CEEDHN CC(C)C[C@H]1CCCCN1C(=O)[C@@H](N)CCCC#N ZINC000424130635 330261469 /nfs/dbraw/zinc/26/14/69/330261469.db2.gz UBWCAKNXAMUWSW-KGLIPLIRSA-N 0 3 265.401 2.435 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2ccccc2n1 ZINC000424131273 330262322 /nfs/dbraw/zinc/26/23/22/330262322.db2.gz GCEXWVMRNWNQHP-LBPRGKRZSA-N 0 3 268.320 2.194 20 30 CEEDHN CCOc1ccccc1N(C)C(=O)[C@H](N)CCCC#N ZINC000424167012 330309411 /nfs/dbraw/zinc/30/94/11/330309411.db2.gz DEWMCQPBIJGHMZ-GFCCVEGCSA-N 0 3 275.352 2.069 20 30 CEEDHN C=CCn1cc(CNC[C@@H](C)CC2CCOCC2)nn1 ZINC000424169279 330310652 /nfs/dbraw/zinc/31/06/52/330310652.db2.gz HUIXCSYKZFJETP-ZDUSSCGKSA-N 0 3 278.400 2.007 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(C2CC2)cc1 ZINC000424170985 330311015 /nfs/dbraw/zinc/31/10/15/330311015.db2.gz LTYSYVQYJDWOAF-HNNXBMFYSA-N 0 3 271.364 2.201 20 30 CEEDHN C[C@@]1(CNC(=O)[C@@H](N)CCCC#N)CCCc2ccccc21 ZINC000424169600 330312053 /nfs/dbraw/zinc/31/20/53/330312053.db2.gz IMRXASFRJKESBP-WMZOPIPTSA-N 0 3 299.418 2.418 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1cccc(OCC)n1 ZINC000424169542 330312092 /nfs/dbraw/zinc/31/20/92/330312092.db2.gz HYLLDSWXCZWEJW-JSGCOSHPSA-N 0 3 262.353 2.161 20 30 CEEDHN CC(C)C1(C)CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424189179 330322177 /nfs/dbraw/zinc/32/21/77/330322177.db2.gz LRRFWGMVELWHGH-CYBMUJFWSA-N 0 3 265.401 2.292 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(F)cn1 ZINC000424295211 330335834 /nfs/dbraw/zinc/33/58/34/330335834.db2.gz MKWGEFFDFLNRNB-MJVIPROJSA-N 0 3 250.317 2.462 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000424653654 330442173 /nfs/dbraw/zinc/44/21/73/330442173.db2.gz HBVTVFGUTXUWID-UHFFFAOYSA-N 0 3 282.428 2.158 20 30 CEEDHN N#CCCC1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000516461549 330493420 /nfs/dbraw/zinc/49/34/20/330493420.db2.gz VQJPUDQAYLWRPT-INIZCTEOSA-N 0 3 288.391 2.442 20 30 CEEDHN CN(C)Cc1cccc(C(=O)NCC2(CC#N)CC2)c1 ZINC000435955913 330666634 /nfs/dbraw/zinc/66/66/34/330666634.db2.gz HCDYZYJBJYNPNK-UHFFFAOYSA-N 0 3 271.364 2.172 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC000437492749 330700971 /nfs/dbraw/zinc/70/09/71/330700971.db2.gz DGTMWSFBARIPIU-PMPSAXMXSA-N 0 3 294.439 2.348 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCCOc2ccc(Cl)cn2)C1 ZINC000442814135 330785232 /nfs/dbraw/zinc/78/52/32/330785232.db2.gz CLZSXTYVQJYJCK-CMPLNLGQSA-N 0 3 265.744 2.396 20 30 CEEDHN CCN(CCC#N)C(=O)CN[C@@H](CC(F)(F)F)C(C)C ZINC000445882759 330841121 /nfs/dbraw/zinc/84/11/21/330841121.db2.gz AELWCYHGCMUJKL-NSHDSACASA-N 0 3 293.333 2.315 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000449518711 330933203 /nfs/dbraw/zinc/93/32/03/330933203.db2.gz KNNHMCKGJUMUPX-LYRGGWFBSA-N 0 3 289.375 2.452 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(=O)OC)cc1 ZINC000449548008 330935479 /nfs/dbraw/zinc/93/54/79/330935479.db2.gz KPEOUBGTYHVUBY-CABCVRRESA-N 0 3 275.348 2.296 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](OC)[C@@H](C)C1 ZINC000451537837 331032889 /nfs/dbraw/zinc/03/28/89/331032889.db2.gz CXYHTQPCMZMBJG-KKUMJFAQSA-N 0 3 282.428 2.156 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCCOc1cccc(F)c1 ZINC000451604310 331036139 /nfs/dbraw/zinc/03/61/39/331036139.db2.gz GRWDNWLMIDLMEZ-KGLIPLIRSA-N 0 3 251.301 2.138 20 30 CEEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC#Cc1ccccc1 ZINC000451787361 331042001 /nfs/dbraw/zinc/04/20/01/331042001.db2.gz SNSLDJRAKVYPOF-CVEARBPZSA-N 0 3 271.360 2.360 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@]2(CCOC2)C1 ZINC000451901383 331046703 /nfs/dbraw/zinc/04/67/03/331046703.db2.gz MZNJNHRWSYBSEX-NVXWUHKLSA-N 0 3 294.439 2.302 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1[C@@H](C)CCC1(C)C ZINC000452000077 331049833 /nfs/dbraw/zinc/04/98/33/331049833.db2.gz BNNMUKGJPQWMOK-SWLSCSKDSA-N 0 3 265.401 2.304 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC2(CC2)C1 ZINC000452695456 331072403 /nfs/dbraw/zinc/07/24/03/331072403.db2.gz GGCSCPJGUXTVAX-CQSZACIVSA-N 0 3 254.333 2.381 20 30 CEEDHN C=C[C@H](C)NC(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000454691230 331151529 /nfs/dbraw/zinc/15/15/29/331151529.db2.gz ZVKOGGIHNCHYPU-KBPBESRZSA-N 0 3 267.417 2.371 20 30 CEEDHN C[C@@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)N(C)C ZINC000454711991 331152093 /nfs/dbraw/zinc/15/20/93/331152093.db2.gz JVGRUJLPHUXIPJ-DZGCQCFKSA-N 0 3 288.395 2.281 20 30 CEEDHN CN(C)CC1(NC(=O)Nc2cccc(CC#N)c2)CCC1 ZINC000455912698 331180839 /nfs/dbraw/zinc/18/08/39/331180839.db2.gz YCARMLODJBUFLP-UHFFFAOYSA-N 0 3 286.379 2.358 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000456261769 331187760 /nfs/dbraw/zinc/18/77/60/331187760.db2.gz JGUHKUPNRQWCLD-CVEARBPZSA-N 0 3 288.391 2.212 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCCC1(CO)CC1 ZINC000456412596 331192339 /nfs/dbraw/zinc/19/23/39/331192339.db2.gz ZKHCUHHWULOCAU-OAHLLOKOSA-N 0 3 286.375 2.038 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](F)C1)C(C)C ZINC000457744586 331232967 /nfs/dbraw/zinc/23/29/67/331232967.db2.gz KQUAUAUXFCCDQR-CABCVRRESA-N 0 3 297.418 2.438 20 30 CEEDHN CN(C)CCOc1ccc(NC(=O)C(C)(C)C#N)cc1F ZINC000458312747 331248189 /nfs/dbraw/zinc/24/81/89/331248189.db2.gz IGJKBVQEZJNUOJ-UHFFFAOYSA-N 0 3 293.342 2.254 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)NCC(C)(C)CC#N ZINC000458444040 331251431 /nfs/dbraw/zinc/25/14/31/331251431.db2.gz VLWOUYDARSPZRS-AWEZNQCLSA-N 0 3 294.443 2.490 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458732687 331258304 /nfs/dbraw/zinc/25/83/04/331258304.db2.gz LKJCABLIMHWGNU-GOEBONIOSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458984123 331263834 /nfs/dbraw/zinc/26/38/34/331263834.db2.gz FDJNXZDQFRPHDV-CYBMUJFWSA-N 0 3 267.417 2.323 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)CC#N)CCN1C ZINC000459254898 331273243 /nfs/dbraw/zinc/27/32/43/331273243.db2.gz GLBZTDLPTTYZIC-CHWSQXEVSA-N 0 3 280.416 2.050 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCC2(CC#N)CC2)[C@@H]1SC ZINC000459522814 331285841 /nfs/dbraw/zinc/28/58/41/331285841.db2.gz XUFUDZUYPRRVDY-UTUOFQBUSA-N 0 3 254.399 2.179 20 30 CEEDHN CC(C)(CC#N)CNCc1cnn(CC(F)(F)F)c1 ZINC000459684459 331294372 /nfs/dbraw/zinc/29/43/72/331294372.db2.gz CNFGGZCFYYFFNQ-UHFFFAOYSA-N 0 3 274.290 2.475 20 30 CEEDHN COc1cc(CNCC(C)(C)CC#N)cc2c1OCCO2 ZINC000459691645 331294660 /nfs/dbraw/zinc/29/46/60/331294660.db2.gz KWTVLRFDCPDERD-UHFFFAOYSA-N 0 3 290.363 2.496 20 30 CEEDHN C=CCCCS(=O)(=O)NCCN1CCCC[C@H]1CC ZINC000489406216 332050452 /nfs/dbraw/zinc/05/04/52/332050452.db2.gz OMGBWBAVRKXZLP-CQSZACIVSA-N 0 3 288.457 2.137 20 30 CEEDHN C#CCN(Cc1cc(=O)n2cc(C)ccc2n1)C1CCCC1 ZINC000490852096 332120757 /nfs/dbraw/zinc/12/07/57/332120757.db2.gz LFYPIEUWRHPXSX-UHFFFAOYSA-N 0 3 295.386 2.381 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccncc2CC)CC1 ZINC000490923453 332129681 /nfs/dbraw/zinc/12/96/81/332129681.db2.gz KNSKCOCSALOJOD-CQSZACIVSA-N 0 3 299.418 2.166 20 30 CEEDHN C#CCNC(=O)CCN[C@H]1CCc2cc(Cl)ccc21 ZINC000491125036 332153152 /nfs/dbraw/zinc/15/31/52/332153152.db2.gz AQQSCBXAGVNPIQ-AWEZNQCLSA-N 0 3 276.767 2.056 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CC[C@H](CC)CC2)CC1 ZINC000491142610 332155347 /nfs/dbraw/zinc/15/53/47/332155347.db2.gz DCIMPAMSBPHJDH-KOMQPUFPSA-N 0 3 276.424 2.417 20 30 CEEDHN C#C[C@@H](NCc1ccc(-n2cncn2)cc1)C(C)C ZINC000491229884 332170221 /nfs/dbraw/zinc/17/02/21/332170221.db2.gz JRWQNQIDAAYXSO-OAHLLOKOSA-N 0 3 254.337 2.015 20 30 CEEDHN C#C[C@@H](CC)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000491305294 332186358 /nfs/dbraw/zinc/18/63/58/332186358.db2.gz IELVMLBHMYJKTI-AWEZNQCLSA-N 0 3 298.346 2.497 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC(C(C)C)CC1 ZINC000491338490 332192596 /nfs/dbraw/zinc/19/25/96/332192596.db2.gz IWXFEZZPPBVSOV-UHFFFAOYSA-N 0 3 279.428 2.019 20 30 CEEDHN C#C[C@H](NC(=O)N[C@@H](C)CN(C)C)c1ccc(Cl)cc1 ZINC000491408006 332206598 /nfs/dbraw/zinc/20/65/98/332206598.db2.gz SXPMGNVXMPEDBF-FZMZJTMJSA-N 0 3 293.798 2.264 20 30 CEEDHN C#CCN(C)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000491438988 332211441 /nfs/dbraw/zinc/21/14/41/332211441.db2.gz HJSDVUFOPZKDKN-GDBMZVCRSA-N 0 3 287.407 2.261 20 30 CEEDHN C#C[C@@H](N[C@H]1CCN(CCOC)C1)c1ccc(Cl)cc1 ZINC000491484412 332219771 /nfs/dbraw/zinc/21/97/71/332219771.db2.gz ITWRJAWLPSCKDF-JKSUJKDBSA-N 0 3 292.810 2.325 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@H](SC)C(C)(C)C ZINC000491524490 332229624 /nfs/dbraw/zinc/22/96/24/332229624.db2.gz MCEPHGHNICIWMU-ZDUSSCGKSA-N 0 3 299.484 2.018 20 30 CEEDHN C#C[C@H](CC)NCc1ccccc1N1CCO[C@H](C)C1 ZINC000491569763 332240663 /nfs/dbraw/zinc/24/06/63/332240663.db2.gz XSNULRFIYLUPBO-GDBMZVCRSA-N 0 3 272.392 2.413 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)/C=C\CN(C)C ZINC000491646871 332263677 /nfs/dbraw/zinc/26/36/77/332263677.db2.gz VJYMJJVUWQDLCI-FLIBITNWSA-N 0 3 272.392 2.362 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000491682719 332285296 /nfs/dbraw/zinc/28/52/96/332285296.db2.gz ULQUEEFONFCEPP-CABCVRRESA-N 0 3 279.428 2.162 20 30 CEEDHN C#C[C@H](NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1)C(C)C ZINC000491724792 332308999 /nfs/dbraw/zinc/30/89/99/332308999.db2.gz CJNNUTWRKATAMP-XUWVNRHRSA-N 0 3 291.439 2.016 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1ccc(C)cc1 ZINC000491729526 332311819 /nfs/dbraw/zinc/31/18/19/332311819.db2.gz JYZKEVSJWDKHBC-UHFFFAOYSA-N 0 3 287.407 2.092 20 30 CEEDHN C#CCN(CC)CC[C@H](C(=O)OC)c1ccccc1 ZINC000491732642 332313978 /nfs/dbraw/zinc/31/39/78/332313978.db2.gz ARLXUALSCRNHDN-HNNXBMFYSA-N 0 3 259.349 2.288 20 30 CEEDHN C#CCN(CCCC(=O)N(C)C)[C@H]1CCc2ccccc21 ZINC000491782525 332346270 /nfs/dbraw/zinc/34/62/70/332346270.db2.gz NNFVKSWLVPVGJP-KRWDZBQOSA-N 0 3 284.403 2.478 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000491808096 332361276 /nfs/dbraw/zinc/36/12/76/332361276.db2.gz VFQAUCRZXCRFOD-ZOBUZTSGSA-N 0 3 299.418 2.485 20 30 CEEDHN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)C(C)C#N ZINC000491917279 332375190 /nfs/dbraw/zinc/37/51/90/332375190.db2.gz BQWAMNJROWQBLA-LLVKDONJSA-N 0 3 297.399 2.346 20 30 CEEDHN C#C[C@H](NC[C@H](O)COCc1ccc(Cl)cc1)C(C)C ZINC000312157129 333077701 /nfs/dbraw/zinc/07/77/01/333077701.db2.gz ITUIOQDOVPIHRO-HOTGVXAUSA-N 0 3 295.810 2.465 20 30 CEEDHN N#CCC[C@H](C#N)CNc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000517269431 333096587 /nfs/dbraw/zinc/09/65/87/333096587.db2.gz OFUFAQXAHNEYIM-NVXWUHKLSA-N 0 3 298.390 2.109 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000185812327 333149432 /nfs/dbraw/zinc/14/94/32/333149432.db2.gz SMCBCDGNDUCPCM-XQQFMLRXSA-N 0 3 250.386 2.330 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccc(Br)s1 ZINC000227770212 333288257 /nfs/dbraw/zinc/28/82/57/333288257.db2.gz KFFRLEFZSJSVEZ-SSDOTTSWSA-N 0 3 287.182 2.329 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CC#N)CC1 ZINC000541023015 333759663 /nfs/dbraw/zinc/75/96/63/333759663.db2.gz PUSOVUWBWJRRCL-CQSZACIVSA-N 0 3 277.412 2.425 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(CC#N)CC1 ZINC000541951782 333803957 /nfs/dbraw/zinc/80/39/57/333803957.db2.gz KQQAGGHKKOVNNA-AWEZNQCLSA-N 0 3 275.396 2.201 20 30 CEEDHN C=CC[C@H](CO)NCc1cnc(-c2ccccc2)nc1 ZINC000545960029 334009191 /nfs/dbraw/zinc/00/91/91/334009191.db2.gz BEZXPWQINVTYFE-OAHLLOKOSA-N 0 3 269.348 2.170 20 30 CEEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1cc(CC#N)ccn1 ZINC000548131256 334141396 /nfs/dbraw/zinc/14/13/96/334141396.db2.gz YBYZLXCMYXRXBQ-NSHDSACASA-N 0 3 274.368 2.253 20 30 CEEDHN N#CC1(c2ccccn2)CCN(CC2(O)CCCC2)CC1 ZINC000548865873 334177552 /nfs/dbraw/zinc/17/75/52/334177552.db2.gz BYGDNTQNTMOJAC-UHFFFAOYSA-N 0 3 285.391 2.244 20 30 CEEDHN CN(C)[C@@H](CNC[C@@H](C#N)CCC#N)c1ccccc1 ZINC000551683737 334257696 /nfs/dbraw/zinc/25/76/96/334257696.db2.gz PYXASTNAYAQGSO-ZBFHGGJFSA-N 0 3 270.380 2.322 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H](C)CCSC ZINC000247228708 334277629 /nfs/dbraw/zinc/27/76/29/334277629.db2.gz XLFPIKOSKSFYMT-CHWSQXEVSA-N 0 3 285.457 2.068 20 30 CEEDHN C=C(C)CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000249126298 334328477 /nfs/dbraw/zinc/32/84/77/334328477.db2.gz CDBJCRDSJGIHRN-GOEBONIOSA-N 0 3 287.407 2.382 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000253358827 334430448 /nfs/dbraw/zinc/43/04/48/334430448.db2.gz VZADYNDPZCVAMB-OFQRWUPVSA-N 0 3 276.424 2.273 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN(C1CCC1)C1CCC1)C1CC1 ZINC000567307277 334702392 /nfs/dbraw/zinc/70/23/92/334702392.db2.gz PVWJMKVMTDGXGC-INIZCTEOSA-N 0 3 275.396 2.202 20 30 CEEDHN CC[C@H](CC#N)NC(=O)Nc1cccc2c1CCNC2 ZINC000568226246 334806206 /nfs/dbraw/zinc/80/62/06/334806206.db2.gz HDJBLCUTWNZXKS-GFCCVEGCSA-N 0 3 272.352 2.146 20 30 CEEDHN N#CC1(c2ccccn2)CCN(C[C@@H]2CCCOC2)CC1 ZINC000576649786 335231354 /nfs/dbraw/zinc/23/13/54/335231354.db2.gz IQHZPXCPSWAIJY-HNNXBMFYSA-N 0 3 285.391 2.365 20 30 CEEDHN C=CCCCNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000580618519 335303153 /nfs/dbraw/zinc/30/31/53/335303153.db2.gz HPGLDBDINBSJJU-UHFFFAOYSA-N 0 3 267.417 2.468 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000346258463 335361590 /nfs/dbraw/zinc/36/15/90/335361590.db2.gz IMEQUYLBMCGNLO-DZGCQCFKSA-N 0 3 272.348 2.211 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000346258465 335361647 /nfs/dbraw/zinc/36/16/47/335361647.db2.gz IMEQUYLBMCGNLO-UKRRQHHQSA-N 0 3 272.348 2.211 20 30 CEEDHN CN(C)Cc1cccc(CNC[C@@H](C#N)CCC#N)c1 ZINC000578640143 335657635 /nfs/dbraw/zinc/65/76/35/335657635.db2.gz OMHHAGSYELKDRJ-MRXNPFEDSA-N 0 3 270.380 2.281 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1cncc(Br)c1 ZINC000580962780 335990674 /nfs/dbraw/zinc/99/06/74/335990674.db2.gz IBLWNYJCQQUCMR-SKDRFNHKSA-N 0 3 285.185 2.432 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000581053424 336001404 /nfs/dbraw/zinc/00/14/04/336001404.db2.gz 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/nfs/dbraw/zinc/91/45/11/500914511.db2.gz YKMISAHWFCZFQY-ZCFIWIBFSA-N 0 3 258.655 2.394 20 30 CEEDHN Cc1cc(CN(C[C@H]2CCC(=O)N2)C(C)C)ccc1C#N ZINC000412091333 534169434 /nfs/dbraw/zinc/16/94/34/534169434.db2.gz USPJBYQRNCUOCX-MRXNPFEDSA-N 0 3 285.391 2.356 20 30 CEEDHN C[C@@H]1CC[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000343953541 534263726 /nfs/dbraw/zinc/26/37/26/534263726.db2.gz KMEWTGGXDFUFOR-BYCMXARLSA-N 0 3 267.332 2.155 20 30 CEEDHN CC(C#N)C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000347137646 534282503 /nfs/dbraw/zinc/28/25/03/534282503.db2.gz PQQUPPSVOZKUMP-SECBINFHSA-N 0 3 265.382 2.259 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000347042363 534282750 /nfs/dbraw/zinc/28/27/50/534282750.db2.gz VAIPAVNXOYXOBI-SNPRPXQTSA-N 0 3 272.348 2.430 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc[nH]c1)C(C)C ZINC000069154578 518772723 /nfs/dbraw/zinc/77/27/23/518772723.db2.gz AAJPOGHTKQQVNV-HNNXBMFYSA-N 0 3 275.396 2.443 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@]1(C)CCO[C@@H]1C ZINC000234851704 523530461 /nfs/dbraw/zinc/53/04/61/523530461.db2.gz GIFKCAFLYSZLBL-IAQYHMDHSA-N 0 3 260.337 2.224 20 30 CEEDHN C[C@@H](F)CCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366358293 524974435 /nfs/dbraw/zinc/97/44/35/524974435.db2.gz JTWDIEUBNHSMPB-YPMHNXCESA-N 0 3 263.316 2.154 20 30 CEEDHN CC#CCN1CCC(C(C)(C)C(=O)OCC)CC1 ZINC000352204184 526362027 /nfs/dbraw/zinc/36/20/27/526362027.db2.gz WTDMXGKEELAPIT-UHFFFAOYSA-N 0 3 251.370 2.311 20 30 CEEDHN C=C(C)CCN1CCN(Cc2cscn2)CC1 ZINC000352123638 526446293 /nfs/dbraw/zinc/44/62/93/526446293.db2.gz PAZXFUWZWAJIQH-UHFFFAOYSA-N 0 3 251.399 2.227 20 30 CEEDHN C=C(C)CN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000353689373 526490982 /nfs/dbraw/zinc/49/09/82/526490982.db2.gz BLYHEWIPXFANPR-MRXNPFEDSA-N 0 3 287.407 2.478 20 30 CEEDHN C=CCN1CC[C@H](N2CCC(C)(C3CC3)CC2)C1=O ZINC000352201732 526504852 /nfs/dbraw/zinc/50/48/52/526504852.db2.gz UZYSKVFLSSGIND-AWEZNQCLSA-N 0 3 262.397 2.285 20 30 CEEDHN C=C(C)CN(CCCn1ccnc1)Cc1ccc(CO)o1 ZINC000352803960 526553599 /nfs/dbraw/zinc/55/35/99/526553599.db2.gz PDGUYAFLNHBZEC-UHFFFAOYSA-N 0 3 289.379 2.437 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC2CC(C)C2)CC1 ZINC000355986663 526589136 /nfs/dbraw/zinc/58/91/36/526589136.db2.gz LYVDHWYKLQYJFT-UHFFFAOYSA-N 0 3 265.401 2.125 20 30 CEEDHN C=CCOCCCN(C)C[C@H]1COc2ccccc2O1 ZINC000347958888 526745535 /nfs/dbraw/zinc/74/55/35/526745535.db2.gz CZRVOJXJMVNIBM-AWEZNQCLSA-N 0 3 277.364 2.351 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ncc(CN(C)C)s1 ZINC000352866493 526802181 /nfs/dbraw/zinc/80/21/81/526802181.db2.gz LTHGIPSDWMZBEM-WFASDCNBSA-N 0 3 295.452 2.276 20 30 CEEDHN CC(C)(CCC#N)CNC(=O)NC1CCN(C2CC2)CC1 ZINC000350121652 526989910 /nfs/dbraw/zinc/98/99/10/526989910.db2.gz SNSLTSLSDFKBJP-UHFFFAOYSA-N 0 3 292.427 2.242 20 30 CEEDHN C=CCCCCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000351661562 527159876 /nfs/dbraw/zinc/15/98/76/527159876.db2.gz LEQPNPNPDZJFHB-CHWSQXEVSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000344290428 527186165 /nfs/dbraw/zinc/18/61/65/527186165.db2.gz NUIUXGMFAVTPJU-OLZOCXBDSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCCCN1CCN(CCOC)[C@@H](CCC)C1 ZINC000347612763 527198182 /nfs/dbraw/zinc/19/81/82/527198182.db2.gz YWQVTOXMFZZGJV-HNNXBMFYSA-N 0 3 254.418 2.385 20 30 CEEDHN C=CCC[C@@H](O)CN[C@H](CCC)c1nnc2ccccn21 ZINC000347643338 527459079 /nfs/dbraw/zinc/45/90/79/527459079.db2.gz WFRHFSCBWSXYBP-ZIAGYGMSSA-N 0 3 288.395 2.487 20 30 CEEDHN C=CCC[C@H](NC[C@@H]1COCCO1)c1ccco1 ZINC000353403999 527485019 /nfs/dbraw/zinc/48/50/19/527485019.db2.gz LPFUAGYEQPCLIM-OLZOCXBDSA-N 0 3 251.326 2.292 20 30 CEEDHN CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000331536234 527493292 /nfs/dbraw/zinc/49/32/92/527493292.db2.gz QAIOEXBFKASDMY-OAHLLOKOSA-N 0 3 297.402 2.454 20 30 CEEDHN CCC[C@@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000185860202 527737734 /nfs/dbraw/zinc/73/77/34/527737734.db2.gz DOLUHDDUYDAVKV-ZBFHGGJFSA-N 0 3 277.412 2.449 20 30 CEEDHN CCN1CCC[C@H]1CN(C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000333175465 529095363 /nfs/dbraw/zinc/09/53/63/529095363.db2.gz KJXZJOIJLLRSIF-KKUMJFAQSA-N 0 3 292.427 2.194 20 30 CEEDHN CC[C@@H]1CCC[C@@H]1[NH+]=C([O-])N[C@H]1CCn2ccnc2C1 ZINC000330196068 529308776 /nfs/dbraw/zinc/30/87/76/529308776.db2.gz PREMZCLZAZNDCZ-AGIUHOORSA-N 0 3 276.384 2.280 20 30 CEEDHN N=C(N)NN=Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000727252197 574449639 /nfs/dbraw/zinc/44/96/39/574449639.db2.gz SYKKEBRXRXCNEC-UHFFFAOYSA-N 0 3 264.638 2.176 20 30 CEEDHN C#Cc1ccc(C(=O)N(CCN(C)C)c2ccccc2)cn1 ZINC000728820658 574471251 /nfs/dbraw/zinc/47/12/51/574471251.db2.gz ZHAHREIRQDJKOB-UHFFFAOYSA-N 0 3 293.370 2.271 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCCCN2CCCC)cn1 ZINC000728864504 574472887 /nfs/dbraw/zinc/47/28/87/574472887.db2.gz KAPQLXYIUJXKSX-QGZVFWFLSA-N 0 3 299.418 2.447 20 30 CEEDHN C=C(C)CNC(=S)NCCN1[C@H](C)CCC[C@H]1C ZINC000730731927 574527000 /nfs/dbraw/zinc/52/70/00/574527000.db2.gz RWTVBZNOGBKVMK-CHWSQXEVSA-N 0 3 269.458 2.290 20 30 CEEDHN C=CCOc1cccc(CN[C@H](C)CN2CCOCC2)c1 ZINC000731449748 574596066 /nfs/dbraw/zinc/59/60/66/574596066.db2.gz RVLICZLQXNATDR-OAHLLOKOSA-N 0 3 290.407 2.062 20 30 CEEDHN Cc1cc(C(C#N)C(=O)C=CC2CCOCC2)nc(C)n1 ZINC000732709211 574626744 /nfs/dbraw/zinc/62/67/44/574626744.db2.gz ZJEAEIVHNNSUSK-NQHOJNORSA-N 0 3 285.347 2.253 20 30 CEEDHN C#CCCNC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000733338191 574665622 /nfs/dbraw/zinc/66/56/22/574665622.db2.gz SCBNJHLEWOLQCF-QGZVFWFLSA-N 0 3 299.418 2.146 20 30 CEEDHN C=CC[C@@H](NC(=O)NCCN(C)C1CC1)c1ccncc1 ZINC000734668229 574724752 /nfs/dbraw/zinc/72/47/52/574724752.db2.gz CQELMIQNOGANFN-OAHLLOKOSA-N 0 3 288.395 2.092 20 30 CEEDHN C=CC[C@@H](NC(=O)N1CCCN(C)CC1)c1ccncc1 ZINC000734680485 574726915 /nfs/dbraw/zinc/72/69/15/574726915.db2.gz SZUOQOAOFUTPER-OAHLLOKOSA-N 0 3 288.395 2.046 20 30 CEEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000735205466 574747371 /nfs/dbraw/zinc/74/73/71/574747371.db2.gz CAXYOLDKEFHFNU-IBHLPDHGSA-N 0 3 257.293 2.085 20 30 CEEDHN CCN(CC)c1ccc(CNC(=O)C(C)C#N)cc1F ZINC000736673591 574794483 /nfs/dbraw/zinc/79/44/83/574794483.db2.gz KUIHTTFZAQEMPW-NSHDSACASA-N 0 3 277.343 2.448 20 30 CEEDHN CN(C)Cc1ccc(CN(C)C(=O)C2(C#N)CCC2)cc1 ZINC000738517084 574866880 /nfs/dbraw/zinc/86/68/80/574866880.db2.gz RIXKUSNZTRECEM-UHFFFAOYSA-N 0 3 285.391 2.400 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H]3CCOC3)nc21 ZINC000740562884 574959278 /nfs/dbraw/zinc/95/92/78/574959278.db2.gz SQKUBLVVWQGOSG-RYUDHWBXSA-N 0 3 283.331 2.474 20 30 CEEDHN Cc1cccc2nc(C(C#N)C(=O)C[C@@H]3CCOC3)[nH]c21 ZINC000740562884 574959279 /nfs/dbraw/zinc/95/92/79/574959279.db2.gz SQKUBLVVWQGOSG-RYUDHWBXSA-N 0 3 283.331 2.474 20 30 CEEDHN C#CCCN1CCC(NC(=O)C[C@@H](C)C2CC2)CC1 ZINC000740737560 574967231 /nfs/dbraw/zinc/96/72/31/574967231.db2.gz QUALQVIEYJTYLJ-CYBMUJFWSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2ccc(Cl)o2)CC1 ZINC000740738846 574967275 /nfs/dbraw/zinc/96/72/75/574967275.db2.gz PENFIBWYWBJXIR-UHFFFAOYSA-N 0 3 280.755 2.151 20 30 CEEDHN C#CCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000741331803 574982745 /nfs/dbraw/zinc/98/27/45/574982745.db2.gz WSGJAPKYCOHZDT-UHFFFAOYSA-N 0 3 257.333 2.075 20 30 CEEDHN CC(C#N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743717923 575109181 /nfs/dbraw/zinc/10/91/81/575109181.db2.gz WIAXSTDDVRTMCY-SNVBAGLBSA-N 0 3 258.321 2.047 20 30 CEEDHN Cc1ccc([C@@H](C)C(=O)C(C#N)C(=O)N2CCCC2)o1 ZINC000744024327 575112479 /nfs/dbraw/zinc/11/24/79/575112479.db2.gz RIHCUPWUYYZDNB-VXGBXAGGSA-N 0 3 274.320 2.023 20 30 CEEDHN C[C@H]1CCN(CCNC(=O)/C=C\c2ccccc2C#N)C1 ZINC000744799538 575126856 /nfs/dbraw/zinc/12/68/56/575126856.db2.gz NRGJATWDUWFXFZ-AFNCTOJWSA-N 0 3 283.375 2.029 20 30 CEEDHN C#CCCCNC(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000745902095 575145545 /nfs/dbraw/zinc/14/55/45/575145545.db2.gz YORXZEIEMQGHST-UHFFFAOYSA-N 0 3 287.407 2.303 20 30 CEEDHN C#CCNC(=O)CN(CCC)[C@H]1CCc2ccccc21 ZINC000746145816 575149787 /nfs/dbraw/zinc/14/97/87/575149787.db2.gz RBZBQLALJUFSJZ-INIZCTEOSA-N 0 3 270.376 2.135 20 30 CEEDHN C#CCN(CC)CCCOc1ccc2c(c1)OCO2 ZINC000746457368 575156367 /nfs/dbraw/zinc/15/63/67/575156367.db2.gz BDCNTEFWQWFCDW-UHFFFAOYSA-N 0 3 261.321 2.139 20 30 CEEDHN CCCCCOc1cc(C=NNC(=N)N)ccc1OC ZINC000747040496 575166535 /nfs/dbraw/zinc/16/65/35/575166535.db2.gz OEKOQJLRCUDCPV-UHFFFAOYSA-N 0 3 278.356 2.081 20 30 CEEDHN CN(C)C(=S)NN=C1CCCC[C@H]1N1CCCCC1 ZINC000748789237 575196287 /nfs/dbraw/zinc/19/62/87/575196287.db2.gz ZJFOIHYHXHQLCM-CYBMUJFWSA-N 0 3 282.457 2.207 20 30 CEEDHN CC(C)(CCC#N)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819976179 599405967 /nfs/dbraw/zinc/40/59/67/599405967.db2.gz PFVDWZMYVJIUDH-UHFFFAOYSA-N 0 3 284.367 2.286 20 30 CEEDHN CC(C)(CCC#N)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819976179 599405970 /nfs/dbraw/zinc/40/59/70/599405970.db2.gz PFVDWZMYVJIUDH-UHFFFAOYSA-N 0 3 284.367 2.286 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)Cc2ccc(CC(C)C)cc2)C1 ZINC000969247814 612961512 /nfs/dbraw/zinc/96/15/12/612961512.db2.gz OJYZOXNJIQRUBC-GOSISDBHSA-N 0 3 298.430 2.251 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC000970274037 612963188 /nfs/dbraw/zinc/96/31/88/612963188.db2.gz XUVLMPFZKJFLQI-APWZRJJASA-N 0 3 296.414 2.104 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(F)cc2C)C1 ZINC000970773924 612995247 /nfs/dbraw/zinc/99/52/47/612995247.db2.gz IVXXQJFHZIBNAZ-CYBMUJFWSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC000969664151 612996840 /nfs/dbraw/zinc/99/68/40/612996840.db2.gz OIDGRYJHWNFZQC-GJZGRUSLSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccn3ccccc23)C1 ZINC000970131078 612997701 /nfs/dbraw/zinc/99/77/01/612997701.db2.gz MOEZRLIORITWED-AWEZNQCLSA-N 0 3 295.386 2.013 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2sccc2CC)C1 ZINC000970922638 612998379 /nfs/dbraw/zinc/99/83/79/612998379.db2.gz ZVPKRZDTEHLCDB-LBPRGKRZSA-N 0 3 290.432 2.384 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC000967418399 613013747 /nfs/dbraw/zinc/01/37/47/613013747.db2.gz ADBJDPGBKWIOKF-DYVFJYSZSA-N 0 3 299.418 2.162 20 30 CEEDHN 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287.407 2.422 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2ccnn2CCC)CC1 ZINC000981253581 613498159 /nfs/dbraw/zinc/49/81/59/613498159.db2.gz XHULGSDGJDTQEE-UHFFFAOYSA-N 0 3 290.411 2.017 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)c2cnc(C)s2)C(C)(C)C1 ZINC000972854778 613546309 /nfs/dbraw/zinc/54/63/09/613546309.db2.gz DVDRMXMHFNUWMI-CYBMUJFWSA-N 0 3 293.436 2.468 20 30 CEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CC23CC3)CC1 ZINC000948813012 613557621 /nfs/dbraw/zinc/55/76/21/613557621.db2.gz QMFAMSZGUQUIQK-CABCVRRESA-N 0 3 274.408 2.123 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)C2(F)CCCC2)C[C@H]1C ZINC000947474764 613577296 /nfs/dbraw/zinc/57/72/96/613577296.db2.gz YXUBLTJETORTLC-ZIAGYGMSSA-N 0 3 280.387 2.261 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)C2(C)CC2)C(C)(C)C1 ZINC000940767034 613577544 /nfs/dbraw/zinc/57/75/44/613577544.db2.gz CMCZYRIEXKUDNP-CYBMUJFWSA-N 0 3 262.397 2.027 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000944266142 613583677 /nfs/dbraw/zinc/58/36/77/613583677.db2.gz 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C=CCN(C)[C@@H]1CCN(C(=O)c2c(C)noc2C(C)C)C1 ZINC000971721615 613618958 /nfs/dbraw/zinc/61/89/58/613618958.db2.gz CYBDXZNVZHEXGH-CYBMUJFWSA-N 0 3 291.395 2.439 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(C)s2)C1 ZINC000970989908 613620400 /nfs/dbraw/zinc/62/04/00/613620400.db2.gz MAHYLZJBWRGDSD-GFCCVEGCSA-N 0 3 264.394 2.389 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC000971596015 613631733 /nfs/dbraw/zinc/63/17/33/613631733.db2.gz GDXJIYACJJMSJI-HOCLYGCPSA-N 0 3 262.397 2.452 20 30 CEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1CCCC1)CCO2 ZINC000949003160 613676972 /nfs/dbraw/zinc/67/69/72/613676972.db2.gz JPZRTPOOWQZKBQ-UHFFFAOYSA-N 0 3 292.423 2.056 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)/C=C/c3ccco3)C2)C1 ZINC000981588772 613677216 /nfs/dbraw/zinc/67/72/16/613677216.db2.gz PFUWNRWUYBYZEL-VOTSOKGWSA-N 0 3 286.375 2.403 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)C3(C4CC4)CC3)C2)C1 ZINC000981832291 613677763 /nfs/dbraw/zinc/67/77/63/613677763.db2.gz FZCOALWSKVMXSC-UHFFFAOYSA-N 0 3 274.408 2.287 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)Cc3ccncc3C)C2)C1 ZINC000981768357 613678759 /nfs/dbraw/zinc/67/87/59/613678759.db2.gz IUGJUORTLGGVGX-UHFFFAOYSA-N 0 3 299.418 2.043 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)[C@@H]3CC[C@H](F)C3)C2)C1 ZINC000981963946 613680278 /nfs/dbraw/zinc/68/02/78/613680278.db2.gz BPDVVMRUWZSGEE-KGLIPLIRSA-N 0 3 280.387 2.235 20 30 CEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCOCC1 ZINC000968838118 613683098 /nfs/dbraw/zinc/68/30/98/613683098.db2.gz VXLUCMBHKGTIFB-HZPDHXFCSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)c3occc3C)C2)C1 ZINC000981621777 613683543 /nfs/dbraw/zinc/68/35/43/613683543.db2.gz GWHUSVLHHMVHEJ-UHFFFAOYSA-N 0 3 274.364 2.312 20 30 CEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000969042293 613684141 /nfs/dbraw/zinc/68/41/41/613684141.db2.gz NIRSRFSHNMDEHA-FPCVCCKLSA-N 0 3 292.423 2.101 20 30 CEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC000968955338 613684621 /nfs/dbraw/zinc/68/46/21/613684621.db2.gz SIYCMVVNOUSNDL-CYBMUJFWSA-N 0 3 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/nfs/dbraw/zinc/98/65/46/630986546.db2.gz UNGUWSFSVBMSOM-UHFFFAOYSA-N 0 3 278.440 2.224 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(F)cn1 ZINC000799293957 631002992 /nfs/dbraw/zinc/00/29/92/631002992.db2.gz PDADZCDOXHZHEZ-MRXNPFEDSA-N 0 3 285.322 2.258 20 30 CEEDHN CCc1ccccc1NNC1=CC(=O)N2CCCC12 ZINC000799476040 631030362 /nfs/dbraw/zinc/03/03/62/631030362.db2.gz SPKPWPDXXJHPLA-CQSZACIVSA-N 0 3 257.337 2.412 20 30 CEEDHN CC#CC(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000801181082 631231010 /nfs/dbraw/zinc/23/10/10/631231010.db2.gz AEYXAWJFRXYSHV-UHFFFAOYSA-N 0 3 285.391 2.179 20 30 CEEDHN C[C@H](C#N)OCCN1CCC(c2ccccn2)CC1 ZINC000801936285 631362833 /nfs/dbraw/zinc/36/28/33/631362833.db2.gz MHVPMARBTGZBLT-CYBMUJFWSA-N 0 3 259.353 2.190 20 30 CEEDHN CC(C)n1cc([C@H](C)NCCO[C@@H](C)C#N)cn1 ZINC000801940612 631365292 /nfs/dbraw/zinc/36/52/92/631365292.db2.gz CTABZONXUPZSOW-RYUDHWBXSA-N 0 3 250.346 2.043 20 30 CEEDHN N#CC(C(=O)CCn1ccnn1)c1ccc2ccccc2n1 ZINC000802034105 631376981 /nfs/dbraw/zinc/37/69/81/631376981.db2.gz AQJFCMMEZRGFAZ-ZDUSSCGKSA-N 0 3 291.314 2.093 20 30 CEEDHN CCC(=O)N1C[C@@H](NCc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000987651112 631438229 /nfs/dbraw/zinc/43/82/29/631438229.db2.gz CSPIRBHKXSBYEQ-RISCZKNCSA-N 0 3 289.354 2.186 20 30 CEEDHN CC(C)N1CCC[C@H]1C(=O)NCC1(C#N)CCCCC1 ZINC000825458128 635642711 /nfs/dbraw/zinc/64/27/11/635642711.db2.gz GSGNLMNDHPCVMW-AWEZNQCLSA-N 0 3 277.412 2.449 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)C2=CCCCCC2)C1 ZINC000988701195 631661309 /nfs/dbraw/zinc/66/13/09/631661309.db2.gz SOSIFPXOVVYGER-ZFWWWQNUSA-N 0 3 260.381 2.089 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2cccc(CC)c2)C1 ZINC000989058755 631721454 /nfs/dbraw/zinc/72/14/54/631721454.db2.gz WYCAYCUDXVXDNK-PBHICJAKSA-N 0 3 284.403 2.004 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc(C(C)C)n2)C1 ZINC000989120080 631729839 /nfs/dbraw/zinc/72/98/39/631729839.db2.gz NITJOILOHLUGKC-KGLIPLIRSA-N 0 3 285.391 2.031 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCc2cccc(C)c2)C1 ZINC000989234473 631753318 /nfs/dbraw/zinc/75/33/18/631753318.db2.gz FLDDRNLNEKSKIV-DOTOQJQBSA-N 0 3 284.403 2.140 20 30 CEEDHN CC[C@H]1C[C@H](CNCc2nc(C#N)cs2)CCO1 ZINC000897628332 631835716 /nfs/dbraw/zinc/83/57/16/631835716.db2.gz GWPOBGAOZLKSBL-PWSUYJOCSA-N 0 3 265.382 2.310 20 30 CEEDHN CC[C@H]1C[C@@H](CNCc2nc(C#N)cs2)CCO1 ZINC000897628331 631836040 /nfs/dbraw/zinc/83/60/40/631836040.db2.gz GWPOBGAOZLKSBL-JQWIXIFHSA-N 0 3 265.382 2.310 20 30 CEEDHN C=CCOc1ccc(CN2C[C@H](O)[C@@H](C)C2)cc1OC ZINC000897685295 631870976 /nfs/dbraw/zinc/87/09/76/631870976.db2.gz IHOLNAOWBIIXHG-JSGCOSHPSA-N 0 3 277.364 2.073 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc[nH]c2C2CCC2)C1 ZINC000989448777 631999157 /nfs/dbraw/zinc/99/91/57/631999157.db2.gz XLCYLJQTHQCVJR-JSGCOSHPSA-N 0 3 285.391 2.108 20 30 CEEDHN CNC(=O)C(C#N)C(=O)CCSc1cccc(Cl)c1 ZINC000808978424 632029232 /nfs/dbraw/zinc/02/92/32/632029232.db2.gz KHUSDKTXZYPVBL-LLVKDONJSA-N 0 3 296.779 2.277 20 30 CEEDHN C=CCCCC[C@H](C)[NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898151486 632071460 /nfs/dbraw/zinc/07/14/60/632071460.db2.gz OWVCHRMSIXZIQY-UONOGXRCSA-N 0 3 290.411 2.485 20 30 CEEDHN C=CCC[C@H](CCC)[NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898156344 632073756 /nfs/dbraw/zinc/07/37/56/632073756.db2.gz DNKZYFVHDJADIV-UONOGXRCSA-N 0 3 290.411 2.485 20 30 CEEDHN CN(CCCOc1cccc(Cl)c1)C[C@H](O)CC#N ZINC000809572385 632102152 /nfs/dbraw/zinc/10/21/52/632102152.db2.gz LUAWQTUZUDPSLQ-CYBMUJFWSA-N 0 3 282.771 2.315 20 30 CEEDHN C#Cc1ccc(CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000809655814 632122397 /nfs/dbraw/zinc/12/23/97/632122397.db2.gz LMOLICMTZUBBMU-IYBDPMFKSA-N 0 3 286.419 2.209 20 30 CEEDHN Cc1cnccc1OC1CCN(CCO[C@@H](C)C#N)CC1 ZINC000809995027 632165676 /nfs/dbraw/zinc/16/56/76/632165676.db2.gz JOVRWAAQTMRJMR-AWEZNQCLSA-N 0 3 289.379 2.162 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(F)ccc2Cl)C1 ZINC000989481344 632184873 /nfs/dbraw/zinc/18/48/73/632184873.db2.gz PXLIRVNFEVFNHE-ZYHUDNBSSA-N 0 3 294.757 2.305 20 30 CEEDHN C[S@](=O)CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000810146518 632187141 /nfs/dbraw/zinc/18/71/41/632187141.db2.gz SKRQKHXMGJZISD-IBGZPJMESA-N 0 3 290.310 2.045 20 30 CEEDHN C#CCCN1CCCN(C(=O)C[C@@H](C)c2ccco2)CC1 ZINC000989502283 632194133 /nfs/dbraw/zinc/19/41/33/632194133.db2.gz WAVFEZKORZNGRG-OAHLLOKOSA-N 0 3 288.391 2.331 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3cccnc3c2)C1 ZINC000989573483 632205657 /nfs/dbraw/zinc/20/56/57/632205657.db2.gz TXKFPWQUKUCGDV-CJNGLKHVSA-N 0 3 293.370 2.061 20 30 CEEDHN C=CCCN1CCCN(C(=O)[C@H](OC)C2CCCC2)CC1 ZINC000989572088 632206965 /nfs/dbraw/zinc/20/69/65/632206965.db2.gz FMVDNPWCDOGYIB-MRXNPFEDSA-N 0 3 294.439 2.302 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3sccc3[nH]2)C1 ZINC000989642424 632216421 /nfs/dbraw/zinc/21/64/21/632216421.db2.gz GTUGWYFXTGOGRU-QWRGUYRKSA-N 0 3 287.388 2.055 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3sccc3[nH]2)C1 ZINC000989642423 632216556 /nfs/dbraw/zinc/21/65/56/632216556.db2.gz GTUGWYFXTGOGRU-MNOVXSKESA-N 0 3 287.388 2.055 20 30 CEEDHN CCC[C@H](C(=O)C(C#N)C(=O)N1CCCC1)c1ccccn1 ZINC000810527110 632222252 /nfs/dbraw/zinc/22/22/52/632222252.db2.gz HWXQNQMTQUHQPL-KBPBESRZSA-N 0 3 299.374 2.297 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C3CC3)s2)C1 ZINC000989677777 632222398 /nfs/dbraw/zinc/22/23/98/632222398.db2.gz ZJYWJFRTCJBGGA-DGCLKSJQSA-N 0 3 288.416 2.451 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccoc2CCC)C1 ZINC000989677759 632222552 /nfs/dbraw/zinc/22/25/52/632222552.db2.gz ZCTJXUUHNYGCTN-STQMWFEESA-N 0 3 274.364 2.058 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC000989686293 632224257 /nfs/dbraw/zinc/22/42/57/632224257.db2.gz MVKQREMTFCKXKS-RDTXWAMCSA-N 0 3 294.398 2.472 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(CC)c(CC)o2)C1 ZINC000989687426 632224576 /nfs/dbraw/zinc/22/45/76/632224576.db2.gz XSWNPBSLTJDCPU-JSGCOSHPSA-N 0 3 288.391 2.230 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc(C(F)F)c2)C1 ZINC000989695701 632225105 /nfs/dbraw/zinc/22/51/05/632225105.db2.gz CQVJKAHXQPIJKS-BXUZGUMPSA-N 0 3 292.329 2.450 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccccc2Cl)C1 ZINC000989706362 632228113 /nfs/dbraw/zinc/22/81/13/632228113.db2.gz DXHAHIITEXCJMU-RYUDHWBXSA-N 0 3 276.767 2.166 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C)c(C)c2)C1 ZINC000989753137 632238462 /nfs/dbraw/zinc/23/84/62/632238462.db2.gz RZHRUVCSXGFQQU-GOEBONIOSA-N 0 3 270.376 2.129 20 30 CEEDHN N#Cc1ccccc1CNC1CCN(C(=O)C2CCC2)CC1 ZINC000989843624 632252561 /nfs/dbraw/zinc/25/25/61/632252561.db2.gz RJGRNFYHKQGYQY-UHFFFAOYSA-N 0 3 297.402 2.439 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3cccc(C)n3)CCC[C@H]12 ZINC000989955518 632289599 /nfs/dbraw/zinc/28/95/99/632289599.db2.gz YHGJCSUWDVHWSE-DOTOQJQBSA-N 0 3 285.391 2.303 20 30 CEEDHN C=CCCCCOC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000811009626 632324086 /nfs/dbraw/zinc/32/40/86/632324086.db2.gz ZMKAOLVVVNXPJU-NXEZZACHSA-N 0 3 293.285 2.343 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)sn3)CCC[C@H]12 ZINC000990415473 632350773 /nfs/dbraw/zinc/35/07/73/632350773.db2.gz HCAZCQGYGMTXMS-ZFWWWQNUSA-N 0 3 291.420 2.364 20 30 CEEDHN C[C@@H](NN=Cc1cnc(N(C)C)n1C)c1ccccc1 ZINC000811640589 632411373 /nfs/dbraw/zinc/41/13/73/632411373.db2.gz VNVMLUISCHLOQG-GFCCVEGCSA-N 0 3 271.368 2.171 20 30 CEEDHN CC[C@H](O)CNN=C(C)c1ccc(N(C)CC)cc1 ZINC000811655559 632416028 /nfs/dbraw/zinc/41/60/28/632416028.db2.gz QGTASOPKLZSIRN-HNNXBMFYSA-N 0 3 263.385 2.227 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000898440873 632499817 /nfs/dbraw/zinc/49/98/17/632499817.db2.gz YXWLMHQWVPKEHW-IAGOWNOFSA-N 0 3 282.387 2.415 20 30 CEEDHN C=CC(C)(C)NCc1cccc(S(C)(=O)=O)c1 ZINC000898460222 632504518 /nfs/dbraw/zinc/50/45/18/632504518.db2.gz HRHAUTNJDPPCDS-UHFFFAOYSA-N 0 3 253.367 2.144 20 30 CEEDHN CO[C@@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813218758 632650948 /nfs/dbraw/zinc/65/09/48/632650948.db2.gz ZCSROBPRULANMP-IONNQARKSA-N 0 3 272.226 2.312 20 30 CEEDHN N#Cc1csc(CNCCO[C@H]2CCCCO2)c1 ZINC000813333217 632671592 /nfs/dbraw/zinc/67/15/92/632671592.db2.gz KTEPPIXQOUHEHB-ZDUSSCGKSA-N 0 3 266.366 2.253 20 30 CEEDHN N#CCCOCCNC1(c2cccc(C#N)c2)CC1 ZINC000815083693 632956365 /nfs/dbraw/zinc/95/63/65/632956365.db2.gz XOEOAGGUMKUMAM-UHFFFAOYSA-N 0 3 255.321 2.067 20 30 CEEDHN C=CCC(F)(F)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000815151763 632973445 /nfs/dbraw/zinc/97/34/45/632973445.db2.gz KFDQJXJSJYCQJE-LBPRGKRZSA-N 0 3 272.339 2.285 20 30 CEEDHN CCc1ccc(C#CC(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1 ZINC000815562027 633031179 /nfs/dbraw/zinc/03/11/79/633031179.db2.gz VRHLJQVBJVFGRJ-GOSISDBHSA-N 0 3 296.414 2.296 20 30 CEEDHN N#Cc1ccc(CNC[C@H]2COC3(CCCC3)O2)cc1F ZINC000817408637 633649376 /nfs/dbraw/zinc/64/93/76/633649376.db2.gz KHRBPIITPLYHAV-AWEZNQCLSA-N 0 3 290.338 2.473 20 30 CEEDHN COC1([C@@H](C)NCc2ccc(C#N)cn2)CCCC1 ZINC000817583430 633702018 /nfs/dbraw/zinc/70/20/18/633702018.db2.gz ALPZHDGZCSUVNX-GFCCVEGCSA-N 0 3 259.353 2.391 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C(\C)c1ccc(F)cc1 ZINC000818606099 633957511 /nfs/dbraw/zinc/95/75/11/633957511.db2.gz CZHDEQNFNGTHOF-BUHFOSPRSA-N 0 3 288.366 2.300 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@H]1CCCC[C@H]1C ZINC000818612031 633959698 /nfs/dbraw/zinc/95/96/98/633959698.db2.gz LGKBTCRTHPQHKH-HUUCEWRRSA-N 0 3 264.413 2.274 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000818611904 633959826 /nfs/dbraw/zinc/95/98/26/633959826.db2.gz HVDUXSDOXQYBDF-HUUCEWRRSA-N 0 3 264.413 2.274 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc2cccc(F)c2o1 ZINC000818612424 633959905 /nfs/dbraw/zinc/95/99/05/633959905.db2.gz YWZXISNBDZKAFD-UHFFFAOYSA-N 0 3 288.322 2.257 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC[C@@H](O)C(F)(F)F ZINC000819305471 634133952 /nfs/dbraw/zinc/13/39/52/634133952.db2.gz PXDDQESMMYZUBP-CHWSQXEVSA-N 0 3 271.282 2.134 20 30 CEEDHN OCCN1CCC(N=Nc2ccccc2Cl)CC1 ZINC000819801097 634267103 /nfs/dbraw/zinc/26/71/03/634267103.db2.gz MTCZTAURLUGKKM-UHFFFAOYSA-N 0 3 267.760 2.196 20 30 CEEDHN C[C@@H](N[C@H](CO)Cc1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000902890787 634882095 /nfs/dbraw/zinc/88/20/95/634882095.db2.gz GWYJWUALQVODQL-WBMJQRKESA-N 0 3 299.349 2.347 20 30 CEEDHN C[C@H](NC[C@@H](O)Cc1cccc(F)c1)c1cc(C#N)ccn1 ZINC000903002570 634934187 /nfs/dbraw/zinc/93/41/87/634934187.db2.gz FNGUORORYYAGJE-LRDDRELGSA-N 0 3 299.349 2.347 20 30 CEEDHN C=CCN1CC[C@H](N(C)CC[C@H]2CC2(Cl)Cl)C1=O ZINC000823015350 635048551 /nfs/dbraw/zinc/04/85/51/635048551.db2.gz CARMCLIKLSWWLI-QWRGUYRKSA-N 0 3 291.222 2.289 20 30 CEEDHN C=CCC[C@H](NCc1cn(C)nc1OC)[C@@H]1CCCO1 ZINC000903346096 635073224 /nfs/dbraw/zinc/07/32/24/635073224.db2.gz RASZCUKQHQAFOA-KBPBESRZSA-N 0 3 279.384 2.032 20 30 CEEDHN C#CCCCC[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823841023 635288680 /nfs/dbraw/zinc/28/86/80/635288680.db2.gz HVGVTIZAKBNBJX-LBPRGKRZSA-N 0 3 269.352 2.321 20 30 CEEDHN C#CCCCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823841023 635288682 /nfs/dbraw/zinc/28/86/82/635288682.db2.gz HVGVTIZAKBNBJX-LBPRGKRZSA-N 0 3 269.352 2.321 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)C#CC(C)C)N(C)C)cc1 ZINC000824244704 635386317 /nfs/dbraw/zinc/38/63/17/635386317.db2.gz KRUPMFGQNIFEPE-INIZCTEOSA-N 0 3 272.392 2.373 20 30 CEEDHN C=C[C@@H](CC)CC(=O)N[C@]1(C)CN2CCC1CC2 ZINC000824895497 635519983 /nfs/dbraw/zinc/51/99/83/635519983.db2.gz YCLCLRJLHMGQMO-SWLSCSKDSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000824953234 635531095 /nfs/dbraw/zinc/53/10/95/635531095.db2.gz IRCAURARKVEPNQ-OCCSQVGLSA-N 0 3 251.301 2.355 20 30 CEEDHN C#CC1CCN(C(=O)NC2CCN(CC(=C)C)CC2)CC1 ZINC000825942582 635736688 /nfs/dbraw/zinc/73/66/88/635736688.db2.gz DSFGGICTENBAAI-UHFFFAOYSA-N 0 3 289.423 2.082 20 30 CEEDHN COc1cc(C)c(/C=C2\C(=O)c3ncnn3C2C)c(C)n1 ZINC000905084607 635799276 /nfs/dbraw/zinc/79/92/76/635799276.db2.gz JGDWUNLJIXSWRR-OGGBREFQSA-N 0 3 284.319 2.139 20 30 CEEDHN COCc1csc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905084642 635799293 /nfs/dbraw/zinc/79/92/93/635799293.db2.gz JRFGZSGLSZZMAJ-HCNJTKSQSA-N 0 3 275.333 2.327 20 30 CEEDHN Cc1nn(C(C)C)cc1/C=C1\C(=O)c2ncnn2C1C ZINC000905085605 635799408 /nfs/dbraw/zinc/79/94/08/635799408.db2.gz OSDBWNHAXXXDRB-CGYDICSFSA-N 0 3 271.324 2.205 20 30 CEEDHN CC1/C(=C/c2cnc(C(C)(C)C)nc2)C(=O)c2ncnn21 ZINC000905087771 635801019 /nfs/dbraw/zinc/80/10/19/635801019.db2.gz ZMKCTBKZVYZZTP-BVBCSLMJSA-N 0 3 283.335 2.207 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2nccc3[nH]ccc32)CC1 ZINC000826662500 635805124 /nfs/dbraw/zinc/80/51/24/635805124.db2.gz KVHWNSNPKWWFIV-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN C#Cc1ccc(CN2CCC3=C(CCC(=O)N3)C2)cc1 ZINC000826785630 635846396 /nfs/dbraw/zinc/84/63/96/635846396.db2.gz ZXMGHUUUGGEMHM-UHFFFAOYSA-N 0 3 266.344 2.038 20 30 CEEDHN C#C[C@H](NCc1c(C)cc(OC)nc1C)C1CCOCC1 ZINC000827566276 636355927 /nfs/dbraw/zinc/35/59/27/636355927.db2.gz UVEZVBPOKGDBFV-INIZCTEOSA-N 0 3 288.391 2.225 20 30 CEEDHN C#C[C@@H](NCc1cc(C#N)cs1)C1CCOCC1 ZINC000827566760 636355958 /nfs/dbraw/zinc/35/59/58/636355958.db2.gz ZMUGEWVXMHTJGI-CQSZACIVSA-N 0 3 260.362 2.138 20 30 CEEDHN C#C[C@@H](NCc1cnc2c(C)cccn12)C1CCOCC1 ZINC000827570894 636357171 /nfs/dbraw/zinc/35/71/71/636357171.db2.gz UHESZDVWMITYHH-MRXNPFEDSA-N 0 3 283.375 2.161 20 30 CEEDHN C#C[C@H](NCc1cnc2c(C)cccn12)C1CCOCC1 ZINC000827570893 636357300 /nfs/dbraw/zinc/35/73/00/636357300.db2.gz UHESZDVWMITYHH-INIZCTEOSA-N 0 3 283.375 2.161 20 30 CEEDHN COc1c(Cl)cccc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000905645416 636380532 /nfs/dbraw/zinc/38/05/32/636380532.db2.gz YHZJPNIJKGNULP-LBPRGKRZSA-N 0 3 294.782 2.493 20 30 CEEDHN C=CCN(C[C@@H]1CC2(CO1)CCOCC2)[C@@H](C)COC ZINC000878889758 651204287 /nfs/dbraw/zinc/20/42/87/651204287.db2.gz HPRNMORSADFUHF-GJZGRUSLSA-N 0 3 283.412 2.095 20 30 CEEDHN CC(C)N1CCC[C@H]1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000828600456 636638829 /nfs/dbraw/zinc/63/88/29/636638829.db2.gz FZAYROGVVNHLHD-SJORKVTESA-N 0 3 297.402 2.014 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000829774254 636926795 /nfs/dbraw/zinc/92/67/95/636926795.db2.gz NZLUZALOBASSBJ-BZUAXINKSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CC[C@H]1CCCN(Cc2cc(=O)n3cccc(C)c3n2)C1 ZINC000829793267 636931671 /nfs/dbraw/zinc/93/16/71/636931671.db2.gz BTQXUMZIQSQJHK-HNNXBMFYSA-N 0 3 295.386 2.238 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC[C@@H](c2ccncc2)C1 ZINC000829824252 636939680 /nfs/dbraw/zinc/93/96/80/636939680.db2.gz MQCJBMUHPSBOFX-DZGCQCFKSA-N 0 3 259.353 2.190 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2cc(C#N)ccc2F)CN1C1CC1 ZINC000829862832 636945096 /nfs/dbraw/zinc/94/50/96/636945096.db2.gz GZKIYFADKLCZRN-PWSUYJOCSA-N 0 3 287.338 2.052 20 30 CEEDHN CC(C)C#CC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000830010006 636969836 /nfs/dbraw/zinc/96/98/36/636969836.db2.gz KRDCGKJEEUJKSZ-DOTOQJQBSA-N 0 3 284.403 2.425 20 30 CEEDHN C=C1CCC(C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000907281017 636983466 /nfs/dbraw/zinc/98/34/66/636983466.db2.gz FNXRHKAHFISXBV-CYBMUJFWSA-N 0 3 262.397 2.499 20 30 CEEDHN C#CC1CCN([C@@H](C)C(=O)NC(CC)CC)CC1 ZINC000830316002 637032450 /nfs/dbraw/zinc/03/24/50/637032450.db2.gz ARHBGUBOWZFHCC-LBPRGKRZSA-N 0 3 250.386 2.025 20 30 CEEDHN C#CC1CCN([C@H](C)C(=O)NCCCCC)CC1 ZINC000830316484 637033385 /nfs/dbraw/zinc/03/33/85/637033385.db2.gz UQSUIXMWKRYKGH-CYBMUJFWSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CCCCCCCN(C)CC(=O)NCc1ccco1 ZINC000876542894 650315007 /nfs/dbraw/zinc/31/50/07/650315007.db2.gz YXXHWTYFSPALFF-UHFFFAOYSA-N 0 3 276.380 2.411 20 30 CEEDHN C=C1CCC(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC000830991291 637211465 /nfs/dbraw/zinc/21/14/65/637211465.db2.gz ZCECWDHALYFYTN-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccc(Cl)cc1 ZINC000876549788 650320622 /nfs/dbraw/zinc/32/06/22/650320622.db2.gz VNDSYUCBHVGTRV-LBPRGKRZSA-N 0 3 287.190 2.469 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000876575041 650338592 /nfs/dbraw/zinc/33/85/92/650338592.db2.gz SECLFPACYOHAFF-JTQLQIEISA-N 0 3 288.178 2.163 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cccc(OC)c1 ZINC000876576406 650341313 /nfs/dbraw/zinc/34/13/13/650341313.db2.gz JUMOEUIEJRJGBL-GXFFZTMASA-N 0 3 282.771 2.342 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCOC)C(CC)CC ZINC000876600966 650354646 /nfs/dbraw/zinc/35/46/46/650354646.db2.gz WIQSELAHHVBYEP-GFCCVEGCSA-N 0 3 276.808 2.120 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)COc1ccccc1 ZINC000876607054 650356232 /nfs/dbraw/zinc/35/62/32/650356232.db2.gz OHGDCRFSGDWZRL-AAEUAGOBSA-N 0 3 282.771 2.040 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC)CC(F)(F)F ZINC000876604765 650356672 /nfs/dbraw/zinc/35/66/72/650356672.db2.gz FAFGJQAMYZVDGH-MRVPVSSYSA-N 0 3 272.698 2.257 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN1CCN(CC2CC2)CC1 ZINC000876611180 650358950 /nfs/dbraw/zinc/35/89/50/650358950.db2.gz TYVSZSDBZJIMHV-UHFFFAOYSA-N 0 3 298.434 2.152 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000876619154 650363045 /nfs/dbraw/zinc/36/30/45/650363045.db2.gz PIPQRCMLCWEZPJ-DLOVCJGASA-N 0 3 258.793 2.399 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2ccc(C)cc21 ZINC000876630624 650367272 /nfs/dbraw/zinc/36/72/72/650367272.db2.gz GKRBNCWLLXIDHG-GFCCVEGCSA-N 0 3 264.756 2.354 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCc2ccccc2C1 ZINC000876650458 650375957 /nfs/dbraw/zinc/37/59/57/650375957.db2.gz TYONNLQUKFRNKV-AWEZNQCLSA-N 0 3 278.783 2.431 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N1CCCN(CC)C[C@H]1C ZINC000910279704 637973640 /nfs/dbraw/zinc/97/36/40/637973640.db2.gz LJMKGKJWXVIOAD-GDBMZVCRSA-N 0 3 282.428 2.158 20 30 CEEDHN COC[C@@H](C)NN=C/C=C\c1ccc(N(C)C)cc1 ZINC000834970958 638005086 /nfs/dbraw/zinc/00/50/86/638005086.db2.gz RVZZAJYRHKWSCS-LJGRVWMOSA-N 0 3 261.369 2.376 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H]3CCC3(F)F)CCC[C@@H]12 ZINC000991293848 638202552 /nfs/dbraw/zinc/20/25/52/638202552.db2.gz AWOHCRUVESSEDQ-UMVBOHGHSA-N 0 3 296.361 2.168 20 30 CEEDHN C#CCN(CC#C)CCCP(=O)(OCC)OCC ZINC000876744636 650417203 /nfs/dbraw/zinc/41/72/03/650417203.db2.gz DMUKNZQPGQKRHC-UHFFFAOYSA-N 0 3 271.297 2.211 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)c1nccs1 ZINC000876771236 650425963 /nfs/dbraw/zinc/42/59/63/650425963.db2.gz VXFAPKTXMVKGHD-IUCAKERBSA-N 0 3 273.789 2.180 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCc1cc(C)ccc1OC ZINC000912117918 638561275 /nfs/dbraw/zinc/56/12/75/638561275.db2.gz XLKGXWYAELMOEK-HNNXBMFYSA-N 0 3 290.407 2.346 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CCC2(CCCCC2)CC1 ZINC000102410764 638608100 /nfs/dbraw/zinc/60/81/00/638608100.db2.gz WWKCCCWDSKIWKL-CQSZACIVSA-N 0 3 262.397 2.171 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(F)cc1F ZINC000912271006 638622063 /nfs/dbraw/zinc/62/20/63/638622063.db2.gz ZQUGBKLJVGYUOV-CYBMUJFWSA-N 0 3 268.307 2.265 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1CCC[C@@H]1CC ZINC000836491008 638648996 /nfs/dbraw/zinc/64/89/96/638648996.db2.gz FMHGMJCSGHDMES-GJZGRUSLSA-N 0 3 279.428 2.067 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C(=O)NCC)cc1 ZINC000912321901 638650795 /nfs/dbraw/zinc/65/07/95/638650795.db2.gz GJXVWLFQLFNOAS-AWEZNQCLSA-N 0 3 289.379 2.058 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1cccc(OCC)c1 ZINC000912327946 638653704 /nfs/dbraw/zinc/65/37/04/638653704.db2.gz LVIICCRJUSMIGY-HNNXBMFYSA-N 0 3 276.380 2.385 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccnn1CCCC ZINC000912359635 638658886 /nfs/dbraw/zinc/65/88/86/638658886.db2.gz UARWEGJAKMBJMT-LBPRGKRZSA-N 0 3 264.373 2.305 20 30 CEEDHN O=C(C#CC1CC1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000837329357 639187806 /nfs/dbraw/zinc/18/78/06/639187806.db2.gz LVQMBAPSKGGVFT-KRWDZBQOSA-N 0 3 282.387 2.353 20 30 CEEDHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)C#CC1CC1 ZINC000913097532 639201070 /nfs/dbraw/zinc/20/10/70/639201070.db2.gz NTGJFQUXBKYMOI-YJBOKZPZSA-N 0 3 296.414 2.427 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccccc1 ZINC000876544563 639288416 /nfs/dbraw/zinc/28/84/16/639288416.db2.gz WFSKRNNEPYYPIA-LBPRGKRZSA-N 0 3 252.745 2.115 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccoc1C ZINC000876943293 650498302 /nfs/dbraw/zinc/49/83/02/650498302.db2.gz OWEPXBVXZQRONR-LLVKDONJSA-N 0 3 256.733 2.016 20 30 CEEDHN Cc1ccc([C@@H](O)CNCc2cccc(C#N)n2)cc1 ZINC000876960062 650507469 /nfs/dbraw/zinc/50/74/69/650507469.db2.gz SOZDACFEJNHNPM-INIZCTEOSA-N 0 3 267.332 2.085 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC[C@]1(C)CC1(F)F ZINC000876968942 650512232 /nfs/dbraw/zinc/51/22/32/650512232.db2.gz VFGUWFYXWOOCNZ-PSASIEDQSA-N 0 3 266.719 2.008 20 30 CEEDHN CCN(CC)c1ccc(C=NN(C)C[C@H](C)O)cc1 ZINC000841654703 639823492 /nfs/dbraw/zinc/82/34/92/639823492.db2.gz USXXKKXUTHUYHI-ZDUSSCGKSA-N 0 3 263.385 2.179 20 30 CEEDHN CCCCCCCCCNC(=O)N1CCOC2(CNC2)C1 ZINC000841660663 639827080 /nfs/dbraw/zinc/82/70/80/639827080.db2.gz SUSQVAACAHVWHE-UHFFFAOYSA-N 0 3 297.443 2.121 20 30 CEEDHN N#CC(C(=O)CCC1CCOCC1)c1ccccn1 ZINC000173950777 639885150 /nfs/dbraw/zinc/88/51/50/639885150.db2.gz IJDHBPPVOKECRC-ZDUSSCGKSA-N 0 3 258.321 2.465 20 30 CEEDHN C#CCCCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000174099557 639899593 /nfs/dbraw/zinc/89/95/93/639899593.db2.gz DHKUQIZTNHHPIF-UHFFFAOYSA-N 0 3 299.418 2.147 20 30 CEEDHN C=C(Br)CNC[C@H](O)CC1CCCC1 ZINC000232134609 639901434 /nfs/dbraw/zinc/90/14/34/639901434.db2.gz NNSJYUVKZVNDJC-LLVKDONJSA-N 0 3 262.191 2.426 20 30 CEEDHN C=CCN(C(=O)NC[C@H]1NCCc2ccccc21)C(C)C ZINC000841998876 639917535 /nfs/dbraw/zinc/91/75/35/639917535.db2.gz VFLUPUABRLGAGW-MRXNPFEDSA-N 0 3 287.407 2.479 20 30 CEEDHN CO[C@@H](CC(C)C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000842287577 639997556 /nfs/dbraw/zinc/99/75/56/639997556.db2.gz CPGAFLNMBDJHIM-KBPBESRZSA-N 0 3 288.347 2.395 20 30 CEEDHN CC[C@@H](Sc1ccccc1)C(=O)C(C#N)C(=O)NC ZINC000842292733 640000086 /nfs/dbraw/zinc/00/00/86/640000086.db2.gz WREBFQZZWNGXFW-VXGBXAGGSA-N 0 3 276.361 2.012 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3C3CCC3)CCC[C@H]12 ZINC000992332219 640026977 /nfs/dbraw/zinc/02/69/77/640026977.db2.gz AFMHMFRNFLIIAD-DFGXFYAUSA-N 0 3 286.419 2.169 20 30 CEEDHN N#CC(C(=O)[C@H]1CCC(=O)C1)c1nc2ccccc2[nH]1 ZINC000842676681 640146962 /nfs/dbraw/zinc/14/69/62/640146962.db2.gz GXROIQOBPDONPQ-ONGXEEELSA-N 0 3 267.288 2.108 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001015272192 640244163 /nfs/dbraw/zinc/24/41/63/640244163.db2.gz SFUDVDZDDKTVJG-QZTJIDSGSA-N 0 3 296.414 2.394 20 30 CEEDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H]1C)c1ccc(C#N)cc1 ZINC000914206541 640273522 /nfs/dbraw/zinc/27/35/22/640273522.db2.gz RMWWOYDQEOONDZ-ZOWXZIJZSA-N 0 3 286.379 2.011 20 30 CEEDHN C[C@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)CN1C1CC1 ZINC000877093236 650568730 /nfs/dbraw/zinc/56/87/30/650568730.db2.gz GRYRNCFMZGQBGH-GXFFZTMASA-N 0 3 290.798 2.321 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H]1C ZINC000993026462 640406133 /nfs/dbraw/zinc/40/61/33/640406133.db2.gz SPFITIWSYPFNKK-WCQYABFASA-N 0 3 293.798 2.274 20 30 CEEDHN C#CC[C@H]1CCCN(Cc2cnc(N3CCCC3)nc2)C1 ZINC000843424535 640424747 /nfs/dbraw/zinc/42/47/47/640424747.db2.gz VTAHPCWGLBZVCT-HNNXBMFYSA-N 0 3 284.407 2.312 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cccnc2)[C@@H]1C ZINC000993205935 640548550 /nfs/dbraw/zinc/54/85/50/640548550.db2.gz IKYLZURECJVQAP-HOCLYGCPSA-N 0 3 287.407 2.169 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2ccc(C)o2)[C@H]1C ZINC000993234770 640566253 /nfs/dbraw/zinc/56/62/53/640566253.db2.gz NGUJPUNWKBWBQC-GDBMZVCRSA-N 0 3 288.391 2.123 20 30 CEEDHN C#C[C@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC000843967142 640566374 /nfs/dbraw/zinc/56/63/74/640566374.db2.gz JQOURIFLDBDVKO-DZKIICNBSA-N 0 3 270.376 2.350 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(F)cn2)[C@H]1C ZINC000993234088 640566549 /nfs/dbraw/zinc/56/65/49/640566549.db2.gz PTKINONWJFDVMA-TZMCWYRMSA-N 0 3 291.370 2.380 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C2=CCCC2)[C@@H]1C ZINC000993235614 640569097 /nfs/dbraw/zinc/56/90/97/640569097.db2.gz RDHXQPZNIZQCEK-ZFWWWQNUSA-N 0 3 260.381 2.089 20 30 CEEDHN COc1cccc([C@H](C)C(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000193613971 640572699 /nfs/dbraw/zinc/57/26/99/640572699.db2.gz KGWINVBQRFPPEO-SMDDNHRTSA-N 0 3 288.347 2.032 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2nccn2CC)[C@H]1C ZINC000993290813 640573289 /nfs/dbraw/zinc/57/32/89/640573289.db2.gz VPSAKDDLEKBJDH-ZIAGYGMSSA-N 0 3 290.411 2.062 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cocc2C)[C@H]1C ZINC000993706655 640667896 /nfs/dbraw/zinc/66/78/96/640667896.db2.gz WWFXOTXFBSEVTE-UKRRQHHQSA-N 0 3 274.364 2.194 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2=CCOCC2)[C@@H]1C ZINC000993738597 640672371 /nfs/dbraw/zinc/67/23/71/640672371.db2.gz DLLZLTURJVNVKP-HOCLYGCPSA-N 0 3 292.423 2.268 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccn(C)c2C)[C@H]1C ZINC000993789293 640679599 /nfs/dbraw/zinc/67/95/99/640679599.db2.gz QIMUUUBRWUWZLF-GDBMZVCRSA-N 0 3 289.423 2.492 20 30 CEEDHN N#Cc1cccc(NC(=O)CCN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844454792 640734350 /nfs/dbraw/zinc/73/43/50/640734350.db2.gz LYYHRXRINPBJLC-BETUJISGSA-N 0 3 291.301 2.084 20 30 CEEDHN N#CC(C(=O)c1cc[n+]([O-])cc1)c1nc2ccccc2s1 ZINC000916627385 640793117 /nfs/dbraw/zinc/79/31/17/640793117.db2.gz QPADGNSJXYLCFM-LLVKDONJSA-N 0 3 295.323 2.420 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2[nH]cnc2CC)[C@@H]1C ZINC000994299153 640808680 /nfs/dbraw/zinc/80/86/80/640808680.db2.gz TYIFWSKRPQFTQX-JSGCOSHPSA-N 0 3 290.411 2.131 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)CCCCCCC ZINC000916918963 640829840 /nfs/dbraw/zinc/82/98/40/640829840.db2.gz YCOHSDWWGPWXHI-LBPRGKRZSA-N 0 3 250.342 2.358 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C)nc2C)[C@@H]1C ZINC000994503743 640853440 /nfs/dbraw/zinc/85/34/40/640853440.db2.gz WRPKCTYTADPQSR-DOTOQJQBSA-N 0 3 299.418 2.304 20 30 CEEDHN C#CCNC(=O)CN[C@H](CC)c1cccc(Cl)c1 ZINC000917137335 640857190 /nfs/dbraw/zinc/85/71/90/640857190.db2.gz IJHACBATGATKSI-CYBMUJFWSA-N 0 3 264.756 2.130 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1C[C@H]1c1ccccc1C ZINC000845221184 640929916 /nfs/dbraw/zinc/92/99/16/640929916.db2.gz STOZBELQMCAVRS-DLBZAZTESA-N 0 3 299.418 2.105 20 30 CEEDHN C=C[C@H](C)ONC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000845628480 641026841 /nfs/dbraw/zinc/02/68/41/641026841.db2.gz YKVBOWABPPTKSD-QEJZJMRPSA-N 0 3 289.379 2.237 20 30 CEEDHN N=C(N)NN=C1CCSc2ccc(Br)cc21 ZINC000920375565 641144033 /nfs/dbraw/zinc/14/40/33/641144033.db2.gz MLGQLMMKOZUWNK-UHFFFAOYSA-N 0 3 299.197 2.132 20 30 CEEDHN CCCCCCCCCS(=O)(=O)N1CCCNCC1 ZINC000846227581 641234330 /nfs/dbraw/zinc/23/43/30/641234330.db2.gz CZPAFFKRMAEHLD-UHFFFAOYSA-N 0 3 290.473 2.362 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC1([C@H]2CCCCO2)CCC1 ZINC000877270852 650648650 /nfs/dbraw/zinc/64/86/50/650648650.db2.gz RKJWQNGDCAKJBS-NWDGAFQWSA-N 0 3 286.803 2.064 20 30 CEEDHN C[C@]1(NC(=O)C#CC2CC2)CCN(Cc2ccccc2)C1 ZINC000846594111 641360349 /nfs/dbraw/zinc/36/03/49/641360349.db2.gz ZHUMBYUFKYVUEV-SFHVURJKSA-N 0 3 282.387 2.181 20 30 CEEDHN C#C[C@H]1CCCN(C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000847020406 641525784 /nfs/dbraw/zinc/52/57/84/641525784.db2.gz BJOMFMUOAJNBGW-HOCLYGCPSA-N 0 3 284.359 2.357 20 30 CEEDHN C#C[C@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000847023664 641529759 /nfs/dbraw/zinc/52/97/59/641529759.db2.gz NQDPVGWANJTKRD-AWEZNQCLSA-N 0 3 254.333 2.282 20 30 CEEDHN O=C(C#Cc1ccccc1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000847256332 641618195 /nfs/dbraw/zinc/61/81/95/641618195.db2.gz PBMZLZKAWQQMFE-IRXDYDNUSA-N 0 3 282.387 2.171 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CC[C@]2(CCc3ccccc32)C1 ZINC000877349156 650684268 /nfs/dbraw/zinc/68/42/68/650684268.db2.gz FCTXCTKILISXKM-FUHWJXTLSA-N 0 3 297.402 2.124 20 30 CEEDHN C[C@@H](COC(=O)c1ccc(C#N)o1)N1CCCCC1 ZINC000847961873 641850658 /nfs/dbraw/zinc/85/06/58/641850658.db2.gz BDYMNEQIZFRIAG-NSHDSACASA-N 0 3 262.309 2.182 20 30 CEEDHN Cc1cc(NC(=O)[C@H](N)CCCCC#N)ccc1N(C)C ZINC000848412133 641983353 /nfs/dbraw/zinc/98/33/53/641983353.db2.gz YBYFRTMVJQPBLN-CQSZACIVSA-N 0 3 288.395 2.411 20 30 CEEDHN C=CC[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccncc1 ZINC000848414517 641983962 /nfs/dbraw/zinc/98/39/62/641983962.db2.gz NNBITHJXUZNHJJ-CABCVRRESA-N 0 3 286.379 2.226 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000185995322 642055237 /nfs/dbraw/zinc/05/52/37/642055237.db2.gz KLKVUFOYVWCSMG-DOTOQJQBSA-N 0 3 299.418 2.453 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2c(n1)CCCC2 ZINC000877431465 650717466 /nfs/dbraw/zinc/71/74/66/650717466.db2.gz GMZLOVZPGDLPOU-CYBMUJFWSA-N 0 3 286.379 2.310 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(F)cc2)CC1 ZINC000996892888 642151914 /nfs/dbraw/zinc/15/19/14/642151914.db2.gz KJBWMOCSGGFOKG-CYBMUJFWSA-N 0 3 288.366 2.289 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc[nH]c2CC)CC1 ZINC000997069840 642179369 /nfs/dbraw/zinc/17/93/69/642179369.db2.gz SAXOZVQXXQTAPK-CYBMUJFWSA-N 0 3 287.407 2.041 20 30 CEEDHN C#C[C@H]1CCCN(Cc2cn(-c3ccncc3)nc2C)C1 ZINC000848923425 642195179 /nfs/dbraw/zinc/19/51/79/642195179.db2.gz DTARUAFFBNSANI-HNNXBMFYSA-N 0 3 280.375 2.421 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)c2[nH]ccc2C2CC2)CC1 ZINC000997615512 642312155 /nfs/dbraw/zinc/31/21/55/642312155.db2.gz YDZHMQCOWAPANG-ZDUSSCGKSA-N 0 3 299.418 2.356 20 30 CEEDHN CCN1CCCN(C(=O)C(C#N)(CC)CC)[C@H](C)C1 ZINC000320305860 642320338 /nfs/dbraw/zinc/32/03/38/642320338.db2.gz JKHRGUZXTBCBKK-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCN1CCC[C@H](N(CC)C(=O)c2cnsn2)CC1 ZINC000997940265 642345004 /nfs/dbraw/zinc/34/50/04/642345004.db2.gz NLJMYYLDWMYLEV-LBPRGKRZSA-N 0 3 294.424 2.041 20 30 CEEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CC2(C)C)CC1 ZINC000997977828 642349895 /nfs/dbraw/zinc/34/98/95/642349895.db2.gz SKBGNWIKHASDOW-GJZGRUSLSA-N 0 3 276.424 2.369 20 30 CEEDHN C=CCN1CCC[C@H](N(CC)C(=O)c2nocc2C)CC1 ZINC000998174080 642371625 /nfs/dbraw/zinc/37/16/25/642371625.db2.gz MWDZAAVEHXVMTI-AWEZNQCLSA-N 0 3 291.395 2.486 20 30 CEEDHN C[C@H](C#N)C(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC000998747426 642432019 /nfs/dbraw/zinc/43/20/19/642432019.db2.gz SELAKRGVIGQEIP-TZMCWYRMSA-N 0 3 289.354 2.066 20 30 CEEDHN CO[C@H]1C[C@@H](N(C)Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877516104 650761233 /nfs/dbraw/zinc/76/12/33/650761233.db2.gz WNWMJCRQEAKTBJ-GASCZTMLSA-N 0 3 273.380 2.233 20 30 CEEDHN C=CCN1CC=C(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001000539580 642619730 /nfs/dbraw/zinc/61/97/30/642619730.db2.gz REJAYDBCULKYDL-ZSHCYNCHSA-N 0 3 274.408 2.357 20 30 CEEDHN C#Cc1ccc(C(=O)NCC2=CCN(CC=C)CC2)cc1 ZINC001001029649 642680906 /nfs/dbraw/zinc/68/09/06/642680906.db2.gz PQXPOEBQRPWXBJ-UHFFFAOYSA-N 0 3 280.371 2.216 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2nc(C)c(C)s2)CC1 ZINC001001460588 642722408 /nfs/dbraw/zinc/72/24/08/642722408.db2.gz CPSAHLNNLMJXIS-UHFFFAOYSA-N 0 3 291.420 2.308 20 30 CEEDHN CC#CCN1CCC(CNC(=O)c2[nH]ccc2C2CC2)CC1 ZINC001001475756 642725594 /nfs/dbraw/zinc/72/55/94/642725594.db2.gz TVGMYTKKSDNQBV-UHFFFAOYSA-N 0 3 299.418 2.357 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2cccc3[nH]ccc32)CC1 ZINC001001873075 642741502 /nfs/dbraw/zinc/74/15/02/642741502.db2.gz FNDHRXZUJGPAID-UHFFFAOYSA-N 0 3 295.386 2.243 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2cnn(CC3CCC3)c2)C1 ZINC000922012752 642842822 /nfs/dbraw/zinc/84/28/22/642842822.db2.gz UVTSOSAMTARIPL-ZFWWWQNUSA-N 0 3 258.369 2.465 20 30 CEEDHN COC[C@H](OC)C(=O)C(C#N)c1nccc2ccccc21 ZINC000850986869 642865865 /nfs/dbraw/zinc/86/58/65/642865865.db2.gz SUXIBISZQZUVNM-KBPBESRZSA-N 0 3 284.315 2.072 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1OC(=O)C1CCN(C)C1=O ZINC000851141568 642933369 /nfs/dbraw/zinc/93/33/69/642933369.db2.gz BFLNNLFRDCOSQV-JHJVBQTASA-N 0 3 265.353 2.143 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@@H](C#N)C1 ZINC000922256124 642985393 /nfs/dbraw/zinc/98/53/93/642985393.db2.gz KLJPIOQDHPONHQ-UONOGXRCSA-N 0 3 292.427 2.052 20 30 CEEDHN COC(OC)[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000922314430 643021223 /nfs/dbraw/zinc/02/12/23/643021223.db2.gz YMHXILCQYOVWSV-GFCCVEGCSA-N 0 3 274.364 2.339 20 30 CEEDHN COC[C@@H](NCc1csc(C#N)c1)[C@H]1CCCOC1 ZINC000922341992 643040211 /nfs/dbraw/zinc/04/02/11/643040211.db2.gz BBXGKXKDUGMPPW-GXTWGEPZSA-N 0 3 280.393 2.151 20 30 CEEDHN C#CCOCCN(C)Cc1cc(OC)c(OC)cc1C ZINC000851713904 643121075 /nfs/dbraw/zinc/12/10/75/643121075.db2.gz KIGBSZSSZYFUDE-UHFFFAOYSA-N 0 3 277.364 2.094 20 30 CEEDHN C#CCOCCN1CCC[C@H]1c1cc(OC)ccc1OC ZINC000851722651 643126641 /nfs/dbraw/zinc/12/66/41/643126641.db2.gz YZULSZMSLRAKEO-INIZCTEOSA-N 0 3 289.375 2.491 20 30 CEEDHN C#CCOCCN1CCCO[C@@H](c2ccccc2)C1 ZINC000851753053 643147637 /nfs/dbraw/zinc/14/76/37/643147637.db2.gz LQBKGIGREVTRIF-MRXNPFEDSA-N 0 3 259.349 2.100 20 30 CEEDHN C#C[C@@](C)(CC)N[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000852101834 643305889 /nfs/dbraw/zinc/30/58/89/643305889.db2.gz UVMHBNXOAZOZAO-CJNGLKHVSA-N 0 3 264.413 2.415 20 30 CEEDHN C#C[C@@](C)(CC)NCC(=O)NCc1cccc(C)c1 ZINC000852102894 643307899 /nfs/dbraw/zinc/30/78/99/643307899.db2.gz SLHUKRUUPMSOSW-INIZCTEOSA-N 0 3 258.365 2.003 20 30 CEEDHN N#CC[C@@H]1CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000852319146 643392717 /nfs/dbraw/zinc/39/27/17/643392717.db2.gz HJBSYYFXBGOVHC-GOEBONIOSA-N 0 3 269.348 2.217 20 30 CEEDHN N#CC[C@H]1CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000852319143 643393113 /nfs/dbraw/zinc/39/31/13/643393113.db2.gz HJBSYYFXBGOVHC-GDBMZVCRSA-N 0 3 269.348 2.217 20 30 CEEDHN C=CCCn1cc(CN[C@H](C2CC2)[C@@H]2CCCOC2)nn1 ZINC000922894411 643412081 /nfs/dbraw/zinc/41/20/81/643412081.db2.gz CKJUTEAGSGFHHT-GDBMZVCRSA-N 0 3 290.411 2.149 20 30 CEEDHN CC1(C#N)CCC(NCc2noc3c2COCC3)CC1 ZINC000923015962 643515720 /nfs/dbraw/zinc/51/57/20/643515720.db2.gz UIKSTAKSKPSTSH-UHFFFAOYSA-N 0 3 275.352 2.309 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/nfs/dbraw/zinc/36/60/26/649366026.db2.gz SHXRPBANYRMZBP-RISCZKNCSA-N 0 3 270.332 2.086 20 30 CEEDHN N#Cc1c(F)cccc1CNCCCCCCO ZINC000873101781 649559185 /nfs/dbraw/zinc/55/91/85/649559185.db2.gz YLGVLLPCFHXLKG-UHFFFAOYSA-N 0 3 250.317 2.340 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)CN1CCCC1 ZINC000874244053 649756682 /nfs/dbraw/zinc/75/66/82/649756682.db2.gz BFGUUJKLYXYIBB-UHFFFAOYSA-N 0 3 272.392 2.340 20 30 CEEDHN C#CC[C@@H](NCCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000878362891 651076458 /nfs/dbraw/zinc/07/64/58/651076458.db2.gz KIWLSJHZLGYPFD-OAHLLOKOSA-N 0 3 298.346 2.454 20 30 CEEDHN C=CC[C@@H](C)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000878530661 651121901 /nfs/dbraw/zinc/12/19/01/651121901.db2.gz WPAOIUXRJQSDTJ-CYBMUJFWSA-N 0 3 256.353 2.040 20 30 CEEDHN C#CCCCCCN[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000879021634 651230082 /nfs/dbraw/zinc/23/00/82/651230082.db2.gz VHTYOVUBGMDDSL-MRXNPFEDSA-N 0 3 291.416 2.439 20 30 CEEDHN N#CC1(CCN2CCC([C@H](F)C(N)=O)CC2)CCCCC1 ZINC000879040645 651233715 /nfs/dbraw/zinc/23/37/15/651233715.db2.gz DQSKSKIQKGPBNA-AWEZNQCLSA-N 0 3 295.402 2.386 20 30 CEEDHN C=CCOCCN1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000879222806 651263678 /nfs/dbraw/zinc/26/36/78/651263678.db2.gz LZJIHNKVQIDVCZ-STQMWFEESA-N 0 3 284.400 2.177 20 30 CEEDHN C=CCCCN1Cc2cccnc2N2C[C@@H](OC)C[C@H]2C1 ZINC000879274265 651274668 /nfs/dbraw/zinc/27/46/68/651274668.db2.gz XVJATTMYHBJSBG-HOTGVXAUSA-N 0 3 287.407 2.457 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879555222 651320773 /nfs/dbraw/zinc/32/07/73/651320773.db2.gz LURKUFGLONRVEU-KGLIPLIRSA-N 0 3 282.453 2.096 20 30 CEEDHN C[C@@H](C#N)OCCN[C@@H](C)c1cc2cnccc2o1 ZINC000879714893 651343054 /nfs/dbraw/zinc/34/30/54/651343054.db2.gz KPHSNUHTFXPITF-QWRGUYRKSA-N 0 3 259.309 2.407 20 30 CEEDHN Cc1cncc([C@H]2CCCN2CCOCCC#N)c1 ZINC000879750936 651346960 /nfs/dbraw/zinc/34/69/60/651346960.db2.gz BKLBIKXICXPDJC-OAHLLOKOSA-N 0 3 259.353 2.457 20 30 CEEDHN CC(C)(C)OC(=O)N1C[C@@H]2CN(CCCC#N)C[C@]2(C)C1 ZINC000880027807 651376571 /nfs/dbraw/zinc/37/65/71/651376571.db2.gz YHJUSOYPVMUKPA-XJKSGUPXSA-N 0 3 293.411 2.479 20 30 CEEDHN C#CCC1(O)CCN(Cc2ccc3c(c2)COC3)CC1 ZINC000880481217 651448060 /nfs/dbraw/zinc/44/80/60/651448060.db2.gz OSPOJYHITIDMID-UHFFFAOYSA-N 0 3 271.360 2.067 20 30 CEEDHN CC(C)(C)OC(=O)N1CCC[C@@H](NCCC#N)CC1 ZINC000128919821 651657199 /nfs/dbraw/zinc/65/71/99/651657199.db2.gz JETSBRFPHVJNQQ-GFCCVEGCSA-N 0 3 267.373 2.279 20 30 CEEDHN C#CC[C@@H]1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000888893378 651852543 /nfs/dbraw/zinc/85/25/43/651852543.db2.gz CBSCJFFIDDHKON-GDBMZVCRSA-N 0 3 289.423 2.058 20 30 CEEDHN C#CC1(F)CN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000881945560 651922472 /nfs/dbraw/zinc/92/24/72/651922472.db2.gz PZMZTOFNHCLSNX-UHFFFAOYSA-N 0 3 286.350 2.080 20 30 CEEDHN C#CC1(NC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC000882535885 652126232 /nfs/dbraw/zinc/12/62/32/652126232.db2.gz PJCDDGMJADMKDZ-UHFFFAOYSA-N 0 3 270.376 2.424 20 30 CEEDHN C#CC[C@@H](CO)NCc1cc(C)ccc1OC(F)F ZINC000883123616 652369558 /nfs/dbraw/zinc/36/95/58/652369558.db2.gz DSYXQKYRICBDKI-LBPRGKRZSA-N 0 3 269.291 2.070 20 30 CEEDHN C#CC1(NCc2cnc3nc(C)cc(C)n23)CCCC1 ZINC000883362370 652443956 /nfs/dbraw/zinc/44/39/56/652443956.db2.gz AZNWVGINDJKPIQ-UHFFFAOYSA-N 0 3 268.364 2.382 20 30 CEEDHN C[C@@H](N[C@@H]1CC(=O)N(CC2CC2)C1)c1ccc(C#N)cc1 ZINC000883394955 652454326 /nfs/dbraw/zinc/45/43/26/652454326.db2.gz KKVUADKEFWIYCB-MLGOLLRUSA-N 0 3 283.375 2.220 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1ccc(OC)cc1F ZINC000883399115 652456256 /nfs/dbraw/zinc/45/62/56/652456256.db2.gz FFIOSWCWUGILJM-GFCCVEGCSA-N 0 3 253.317 2.251 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cc(OC)ccc1OCOC ZINC000883400024 652456273 /nfs/dbraw/zinc/45/62/73/652456273.db2.gz BRZWIPYCPUPKPK-AWEZNQCLSA-N 0 3 295.379 2.095 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2n[nH]c3ccccc32)CC1 ZINC001006356335 652584261 /nfs/dbraw/zinc/58/42/61/652584261.db2.gz BVOYGWLBISMNHF-UHFFFAOYSA-N 0 3 298.390 2.285 20 30 CEEDHN Cc1ccccc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884044633 652655245 /nfs/dbraw/zinc/65/52/45/652655245.db2.gz OWXWKMQAZBXZAF-UYJPIKCFSA-N 0 3 269.348 2.073 20 30 CEEDHN C[C@H](CNC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccccc1 ZINC000884056476 652671169 /nfs/dbraw/zinc/67/11/69/652671169.db2.gz ZGJSOMXVIXLRHR-ZFRYHDOHSA-N 0 3 297.402 2.046 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](N)CC1CC1 ZINC000884058409 652676062 /nfs/dbraw/zinc/67/60/62/652676062.db2.gz JPWSNMANGHEFDV-ZDUSSCGKSA-N 0 3 264.394 2.390 20 30 CEEDHN C[C@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)C1CCCCC1 ZINC000884068423 652693879 /nfs/dbraw/zinc/69/38/79/652693879.db2.gz PLMBKZBCSXQLPN-BUTPEJBISA-N 0 3 289.423 2.211 20 30 CEEDHN CC[C@@H]1CCCC[C@@H]1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884091586 652703686 /nfs/dbraw/zinc/70/36/86/652703686.db2.gz CGVMEBLJSPHESW-QVCPJDEESA-N 0 3 289.423 2.211 20 30 CEEDHN C[C@@H]1CCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1(C)C ZINC000884332823 652798634 /nfs/dbraw/zinc/79/86/34/652798634.db2.gz WQCBBNOJUHDRGW-ZBUZPQQSSA-N 0 3 289.423 2.020 20 30 CEEDHN CC[C@@H]1CCC[C@H](C)N1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884418161 652843266 /nfs/dbraw/zinc/84/32/66/652843266.db2.gz ZZXGXQOZCPQKNN-JOYVLCIYSA-N 0 3 289.423 2.305 20 30 CEEDHN CC(=NN[C@@H]1CCCOC1)c1c(C)cc(N)cc1C ZINC000884452074 652857770 /nfs/dbraw/zinc/85/77/70/652857770.db2.gz ICJVQUJOPUVAIV-CQSZACIVSA-N 0 3 261.369 2.378 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884454162 652858755 /nfs/dbraw/zinc/85/87/55/652858755.db2.gz HIQAFWLJKPEEEM-XOYHFGRZSA-N 0 3 289.423 2.234 20 30 CEEDHN Cc1sccc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884462245 652861452 /nfs/dbraw/zinc/86/14/52/652861452.db2.gz YXBHWHWPCAYEIT-CVZZAPKMSA-N 0 3 275.377 2.134 20 30 CEEDHN C=C(C)COC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885476066 653009063 /nfs/dbraw/zinc/00/90/63/653009063.db2.gz XFUZBKLXCKNSGR-LLVKDONJSA-N 0 3 253.342 2.143 20 30 CEEDHN C=C(C)COC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885476067 653009250 /nfs/dbraw/zinc/00/92/50/653009250.db2.gz XFUZBKLXCKNSGR-NSHDSACASA-N 0 3 253.342 2.143 20 30 CEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ncccc2C)C1 ZINC001270949244 805696585 /nfs/dbraw/zinc/69/65/85/805696585.db2.gz AZYXZTQCQAAWNK-KRWDZBQOSA-N 0 3 287.407 2.408 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@]1(C)CCCN(CC#CC)C1 ZINC001270981816 805705139 /nfs/dbraw/zinc/70/51/39/805705139.db2.gz CADPWBJMSMEIAR-KRWDZBQOSA-N 0 3 276.424 2.440 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2coc(CC)n2)[C@H]1CC ZINC001087548121 805730985 /nfs/dbraw/zinc/73/09/85/805730985.db2.gz DPPSDMJLJKBJJZ-GXTWGEPZSA-N 0 3 291.395 2.396 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc3cccn3cn2)[C@H]1CC ZINC001087620709 805763080 /nfs/dbraw/zinc/76/30/80/805763080.db2.gz RIGWKNGFQCKAKJ-GOEBONIOSA-N 0 3 298.390 2.103 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2cccnc2)[C@H]1CC ZINC001087800733 805799010 /nfs/dbraw/zinc/79/90/10/805799010.db2.gz GQHCSMURDLIHQG-VNQPRFMTSA-N 0 3 287.407 2.340 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)Cc3ccccc3)C[C@@H]2C1 ZINC001088016202 805882134 /nfs/dbraw/zinc/88/21/34/805882134.db2.gz UFXXGQFAHJFKAV-MSOLQXFVSA-N 0 3 296.414 2.033 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCN(CC#CC)C[C@H]2C1 ZINC001088092959 805926776 /nfs/dbraw/zinc/92/67/76/805926776.db2.gz DJZWFULKDSDIAF-RYRKJORJSA-N 0 3 288.435 2.392 20 30 CEEDHN COc1c(Cl)cnc(O[C@H]2CCN(C(C)C)C2)c1C#N ZINC001227559689 805949324 /nfs/dbraw/zinc/94/93/24/805949324.db2.gz QEBRGFYOWYVPLB-JTQLQIEISA-N 0 3 295.770 2.477 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC[C@@H]3[C@@H](CCN3CCF)C2)C1 ZINC001036815565 814928611 /nfs/dbraw/zinc/92/86/11/814928611.db2.gz GYHFMMPFEYIJIA-UONOGXRCSA-N 0 3 280.387 2.235 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)C1C(C)(C)C1(C)C ZINC001271984305 806176417 /nfs/dbraw/zinc/17/64/17/806176417.db2.gz FCSIDJYGAPLMIE-UHFFFAOYSA-N 0 3 264.413 2.082 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC001088551095 806374373 /nfs/dbraw/zinc/37/43/73/806374373.db2.gz JUJKBPLWNJNMFJ-YPMHNXCESA-N 0 3 250.386 2.188 20 30 CEEDHN COc1ccc2c(c1)C[C@@H](NCc1ccc(C#N)o1)C2 ZINC001168244305 806436470 /nfs/dbraw/zinc/43/64/70/806436470.db2.gz ONPZUJQBLDUWBG-ZDUSSCGKSA-N 0 3 268.316 2.417 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)CCCOC(C)C)[C@@H]2C1 ZINC001272090896 806501461 /nfs/dbraw/zinc/50/14/61/806501461.db2.gz JWXUAHLVHFKLJK-JKSUJKDBSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1ccoc1CCC ZINC001272152022 806565090 /nfs/dbraw/zinc/56/50/90/806565090.db2.gz MJPYPLVXECBDFZ-UHFFFAOYSA-N 0 3 264.369 2.422 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)C2CCC2)[C@H]1C ZINC001088654839 806582033 /nfs/dbraw/zinc/58/20/33/806582033.db2.gz BAZVUPDQWNNQGN-NFAWXSAZSA-N 0 3 262.397 2.025 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCCC23CC3)[C@H]1C ZINC001088659595 806583340 /nfs/dbraw/zinc/58/33/40/806583340.db2.gz YUVJSUOOGIMPPV-MCIONIFRSA-N 0 3 262.397 2.332 20 30 CEEDHN Cc1c2[nH]cnc2ccc1NC(=N)c1nccs1 ZINC001168279823 806587938 /nfs/dbraw/zinc/58/79/38/806587938.db2.gz XXUWJHWQSUBVKJ-UHFFFAOYSA-N 0 3 257.322 2.365 20 30 CEEDHN Cc1ccc(F)cc1CNCCNC(=O)C#CC(C)(C)C ZINC001126893227 806759738 /nfs/dbraw/zinc/75/97/38/806759738.db2.gz HFZKRJQVQXCWSX-UHFFFAOYSA-N 0 3 290.382 2.389 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc43)[C@@H]2C1 ZINC001076191505 806822183 /nfs/dbraw/zinc/82/21/83/806822183.db2.gz BZBOOFSTMMJXKC-RYQLBKOJSA-N 0 3 296.414 2.435 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)[C@@H]2C1 ZINC001076348137 806841333 /nfs/dbraw/zinc/84/13/33/806841333.db2.gz XRGRCDRJRILHOU-CAOSSQGBSA-N 0 3 274.408 2.141 20 30 CEEDHN C#CCCCC(=O)NCCN(C)Cc1ccc(OC)cc1 ZINC001266270354 802341595 /nfs/dbraw/zinc/34/15/95/802341595.db2.gz PBYORNCMKGTCHD-UHFFFAOYSA-N 0 3 288.391 2.047 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001266301206 802411362 /nfs/dbraw/zinc/41/13/62/802411362.db2.gz HLIDNABSIHNLRR-QDMKHBRRSA-N 0 3 264.413 2.437 20 30 CEEDHN C=CCN(C)CCNC(=O)Cc1cc(C)cc(C)c1 ZINC001266320411 802435054 /nfs/dbraw/zinc/43/50/54/802435054.db2.gz KVFSDWIPMRXLPG-UHFFFAOYSA-N 0 3 260.381 2.080 20 30 CEEDHN C=CCN(C)CCNC(=O)[C@@H](C)Cc1ccccc1F ZINC001266326404 802441856 /nfs/dbraw/zinc/44/18/56/802441856.db2.gz BTGRITAEMKIXOR-ZDUSSCGKSA-N 0 3 278.371 2.238 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)[C@H](c1cccnc1)C(C)C ZINC001266342461 802461000 /nfs/dbraw/zinc/46/10/00/802461000.db2.gz POJSWHZOEKYSOA-INIZCTEOSA-N 0 3 289.423 2.445 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1ccc(CC)cc1 ZINC001266354568 802481189 /nfs/dbraw/zinc/48/11/89/802481189.db2.gz DUNZDDYXNCKERQ-UHFFFAOYSA-N 0 3 260.381 2.487 20 30 CEEDHN C=CCN(Cc1ccccc1)c1cc2c(nn1)CCNC2 ZINC001167126900 802515368 /nfs/dbraw/zinc/51/53/68/802515368.db2.gz VXPLBEIZLOKOBV-UHFFFAOYSA-N 0 3 280.375 2.315 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1ccc(OC)cc1 ZINC001266491981 802629418 /nfs/dbraw/zinc/62/94/18/802629418.db2.gz FGYOAYAOIJAQIP-OAHLLOKOSA-N 0 3 288.391 2.004 20 30 CEEDHN Cc1cscc1C(=O)NCCNCc1cccc(C#N)c1 ZINC001125375145 802647255 /nfs/dbraw/zinc/64/72/55/802647255.db2.gz ISUHVJRZDJSVFT-UHFFFAOYSA-N 0 3 299.399 2.448 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)CCC2CCC2)s1 ZINC001125379907 802655585 /nfs/dbraw/zinc/65/55/85/802655585.db2.gz JPDBUASBBLPRNL-UHFFFAOYSA-N 0 3 291.420 2.406 20 30 CEEDHN CCC(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001206984173 802664317 /nfs/dbraw/zinc/66/43/17/802664317.db2.gz JWQSQFUAWSBDNV-MRXNPFEDSA-N 0 3 270.376 2.029 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)CCc2ccc(C)cc2C)C1 ZINC001266523873 802673378 /nfs/dbraw/zinc/67/33/78/802673378.db2.gz XENYBHMQJBHNRH-KRWDZBQOSA-N 0 3 298.430 2.307 20 30 CEEDHN C=CCN(CCNC(=O)c1ccn(C(C)(C)C)n1)C1CC1 ZINC001266594167 802753222 /nfs/dbraw/zinc/75/32/22/802753222.db2.gz HIQORFNMVKDGEQ-UHFFFAOYSA-N 0 3 290.411 2.018 20 30 CEEDHN CCN1CCN(c2ccc(CN3CC(CC#N)C3)cc2)CC1 ZINC001140301028 802817595 /nfs/dbraw/zinc/81/75/95/802817595.db2.gz WTOXAVBVXNCVHA-UHFFFAOYSA-N 0 3 298.434 2.174 20 30 CEEDHN C=C(C)CN1CCC[C@@H](CNC(=O)CCCC(C)=O)C1 ZINC001266740748 802874121 /nfs/dbraw/zinc/87/41/21/802874121.db2.gz YNDWTXGTVVGPJT-HNNXBMFYSA-N 0 3 280.412 2.150 20 30 CEEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)C1CC=CC1 ZINC001266836703 802933924 /nfs/dbraw/zinc/93/39/24/802933924.db2.gz DAFSCGIJICZWNB-MRXNPFEDSA-N 0 3 292.423 2.126 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1cnc(C)o1 ZINC001266844736 802937522 /nfs/dbraw/zinc/93/75/22/802937522.db2.gz OYQFPQDZCAHFBS-CQSZACIVSA-N 0 3 291.395 2.072 20 30 CEEDHN CC#CCCCC(=O)NC[C@@H](C)NCc1scnc1C ZINC001266964867 803026179 /nfs/dbraw/zinc/02/61/79/803026179.db2.gz RHBPVAPCSGZGHC-GFCCVEGCSA-N 0 3 293.436 2.239 20 30 CEEDHN C#CCNCCN(C)C(=O)[C@@H](C)CCC(C)(C)C ZINC001266980357 803034308 /nfs/dbraw/zinc/03/43/08/803034308.db2.gz SPMXIRYBFDHTEN-ZDUSSCGKSA-N 0 3 252.402 2.130 20 30 CEEDHN CC(C)=C(F)C(=O)NCCNCc1ccc(C#N)s1 ZINC001125593793 803131627 /nfs/dbraw/zinc/13/16/27/803131627.db2.gz VXELCBNPMMUIRU-UHFFFAOYSA-N 0 3 281.356 2.089 20 30 CEEDHN C[C@H](C(=O)NCCNCc1ccc(C#N)cc1)C(C)(F)F ZINC001133967747 813185185 /nfs/dbraw/zinc/18/51/85/813185185.db2.gz BYUPNMJQLFJQOS-LLVKDONJSA-N 0 3 295.333 2.055 20 30 CEEDHN C#CCCN(C)CCNC(=O)c1cnc2ccccc2c1C ZINC001267207964 803232900 /nfs/dbraw/zinc/23/29/00/803232900.db2.gz RGPFOQINEOVMJR-UHFFFAOYSA-N 0 3 295.386 2.228 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001267213261 803237580 /nfs/dbraw/zinc/23/75/80/803237580.db2.gz FYMZANWLWBWIAT-KGLIPLIRSA-N 0 3 252.402 2.437 20 30 CEEDHN CC(C)N1CCN(c2ccc(NCCCS)cn2)CC1 ZINC001171004103 813737939 /nfs/dbraw/zinc/73/79/39/813737939.db2.gz QJHNPBBQSRYEDJ-UHFFFAOYSA-N 0 3 294.468 2.344 20 30 CEEDHN N#Cc1cc(F)cc(-c2noc([C@H]3NC[C@H]4C[C@H]43)n2)c1 ZINC001211565772 803243284 /nfs/dbraw/zinc/24/32/84/803243284.db2.gz MXBKRSQVPAPVPR-JLLWLGSASA-N 0 3 270.267 2.028 20 30 CEEDHN C=CCN(C)CCNC(=O)[C@@H]1CCCC[C@@H]1CC ZINC001267225059 803251401 /nfs/dbraw/zinc/25/14/01/803251401.db2.gz OMSBPRKQIFLZLP-UONOGXRCSA-N 0 3 252.402 2.437 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)[C@H](C)C1CCCC1 ZINC001267225904 803254280 /nfs/dbraw/zinc/25/42/80/803254280.db2.gz HDCMJMBJFVQPFN-CYBMUJFWSA-N 0 3 252.402 2.437 20 30 CEEDHN C=C[C@@H](C(=O)NCCN(C)C[C@H](C)OC)c1ccccc1 ZINC001267230906 803261349 /nfs/dbraw/zinc/26/13/49/803261349.db2.gz HTVKHZMKUZOEQG-GOEBONIOSA-N 0 3 290.407 2.039 20 30 CEEDHN C=CCCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000176528194 803263023 /nfs/dbraw/zinc/26/30/23/803263023.db2.gz TWCSWAUGQYAGAX-CQSZACIVSA-N 0 3 270.332 2.368 20 30 CEEDHN C#Cc1ccc(C(=O)NCCN(CC(=C)C)C2CC2)cc1 ZINC001267331114 803374730 /nfs/dbraw/zinc/37/47/30/803374730.db2.gz YKPXLUVYDBMKTA-UHFFFAOYSA-N 0 3 282.387 2.438 20 30 CEEDHN C=CCCC(=O)NCC[C@@H]1CCN(Cc2cnc(C)o2)C1 ZINC001267508695 803517271 /nfs/dbraw/zinc/51/72/71/803517271.db2.gz MOIQMEGBGLMHNX-CQSZACIVSA-N 0 3 291.395 2.277 20 30 CEEDHN C=CCN[C@@H](CNC(=O)CC1CC1)c1ccccc1 ZINC001267516476 803520599 /nfs/dbraw/zinc/52/05/99/803520599.db2.gz DGRRGAZIQNNGME-HNNXBMFYSA-N 0 3 258.365 2.420 20 30 CEEDHN C=CCN[C@@H](CNC(=O)c1cncnc1C)c1ccccc1 ZINC001267516740 803520736 /nfs/dbraw/zinc/52/07/36/803520736.db2.gz HNMHORPVWTUPJN-INIZCTEOSA-N 0 3 296.374 2.032 20 30 CEEDHN C=C(C)CN[C@H](CNC(=O)CCOC)c1ccccc1 ZINC001267518111 803521268 /nfs/dbraw/zinc/52/12/68/803521268.db2.gz RYMOZGNOXPPSAF-OAHLLOKOSA-N 0 3 276.380 2.046 20 30 CEEDHN Cc1cnc(-n2nc(CN)c3ccccc32)cc1C#N ZINC001167697035 803568831 /nfs/dbraw/zinc/56/88/31/803568831.db2.gz MLJTZEFEWKXMLB-UHFFFAOYSA-N 0 3 263.304 2.059 20 30 CEEDHN CC#Cc1cncc(-n2nc(CN)c3ccccc32)c1 ZINC001167697948 803572909 /nfs/dbraw/zinc/57/29/09/803572909.db2.gz JHBBAKRQPIJEGK-UHFFFAOYSA-N 0 3 262.316 2.251 20 30 CEEDHN C#CCCN1CC(CNC(=O)C2(C3CCCCC3)CC2)C1 ZINC001267696963 803663734 /nfs/dbraw/zinc/66/37/34/803663734.db2.gz BUJWVYXGFGOPRE-UHFFFAOYSA-N 0 3 288.435 2.418 20 30 CEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)COCCC ZINC001267703964 803666690 /nfs/dbraw/zinc/66/66/90/803666690.db2.gz AMKSLVKIEIWIGU-KKUMJFAQSA-N 0 3 280.412 2.053 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)/C=C\C(C)(C)C ZINC001267707142 803668086 /nfs/dbraw/zinc/66/80/86/803668086.db2.gz MWCQZWJPIFNHPB-XQYKZARXSA-N 0 3 262.397 2.450 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCc2ccon2)C1 ZINC001267788136 803734311 /nfs/dbraw/zinc/73/43/11/803734311.db2.gz QOIVPPMMAREQBO-HNNXBMFYSA-N 0 3 291.395 2.106 20 30 CEEDHN C#CCCCCC(=O)NCCNCc1cccc(F)c1 ZINC001125935083 803843230 /nfs/dbraw/zinc/84/32/30/803843230.db2.gz QYYBURCEENEYIK-UHFFFAOYSA-N 0 3 276.355 2.225 20 30 CEEDHN Cc1ccc(C(=O)C(C#N)C(=O)Nc2ccccn2)s1 ZINC000125149130 803986782 /nfs/dbraw/zinc/98/67/82/803986782.db2.gz KXFBLTDBJDBJSW-SNVBAGLBSA-N 0 3 285.328 2.413 20 30 CEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001027261451 804001248 /nfs/dbraw/zinc/00/12/48/804001248.db2.gz ZLSIHQUTCGESRO-QGZVFWFLSA-N 0 3 297.402 2.391 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccnc2C2CC2)C1 ZINC001027479956 804085019 /nfs/dbraw/zinc/08/50/19/804085019.db2.gz VHRHJAKCANDYGP-OAHLLOKOSA-N 0 3 297.402 2.129 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc(C(C)C)n2)C1 ZINC001027481841 804085700 /nfs/dbraw/zinc/08/57/00/804085700.db2.gz XADSPWPZGDBERW-HNNXBMFYSA-N 0 3 299.418 2.375 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC001027527442 804105022 /nfs/dbraw/zinc/10/50/22/804105022.db2.gz DSWUXQMKSRNPRW-JKSUJKDBSA-N 0 3 274.408 2.289 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001038752650 804133036 /nfs/dbraw/zinc/13/30/36/804133036.db2.gz QDBXENWBMHJFKK-KBPBESRZSA-N 0 3 262.397 2.333 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001027607492 804151829 /nfs/dbraw/zinc/15/18/29/804151829.db2.gz XMECWSHJOUBPMP-HUUCEWRRSA-N 0 3 288.391 2.248 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2oc(CC)cc2C)C1 ZINC001027649461 804176138 /nfs/dbraw/zinc/17/61/38/804176138.db2.gz MBKGBPCOBJLJHX-AWEZNQCLSA-N 0 3 288.391 2.320 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC001027661443 804185117 /nfs/dbraw/zinc/18/51/17/804185117.db2.gz GEWLNQFTGGYJMQ-MRXNPFEDSA-N 0 3 270.376 2.165 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccccc1F ZINC001027727529 804223272 /nfs/dbraw/zinc/22/32/72/804223272.db2.gz JVPMDGCHTDOAFZ-CYBMUJFWSA-N 0 3 274.339 2.043 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000424080040 804268222 /nfs/dbraw/zinc/26/82/22/804268222.db2.gz SBEMXBBJUQJEFP-RDVIWEACSA-N 0 3 289.423 2.340 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001028092067 804447504 /nfs/dbraw/zinc/44/75/04/804447504.db2.gz LAPIYQOMMFPIGH-YJNKXOJESA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001028101057 804458671 /nfs/dbraw/zinc/45/86/71/804458671.db2.gz OYCKRDKNBNLNIR-GDBMZVCRSA-N 0 3 288.366 2.232 20 30 CEEDHN C=CCCn1cc(CN[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)nn1 ZINC001118484185 815019492 /nfs/dbraw/zinc/01/94/92/815019492.db2.gz DEDFHLMQLRGTSE-KGYLQXTDSA-N 0 3 282.338 2.378 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(C(C)C)no1 ZINC001028181768 804519213 /nfs/dbraw/zinc/51/92/13/804519213.db2.gz GGMHAGBTSMSHGP-CYBMUJFWSA-N 0 3 289.379 2.016 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N(C)CCN(C)CCOCC ZINC001268245956 804571480 /nfs/dbraw/zinc/57/14/80/804571480.db2.gz UWMNEAQTIXDJKV-UHFFFAOYSA-N 0 3 270.417 2.015 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)c1c(C)cccc1C ZINC001268250299 804572438 /nfs/dbraw/zinc/57/24/38/804572438.db2.gz IUHFKPJWHOSZOS-UHFFFAOYSA-N 0 3 272.392 2.331 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)[C@@]1(C)CCC[C@@H]1C ZINC001268249531 804573267 /nfs/dbraw/zinc/57/32/67/804573267.db2.gz VNCIGIRCQUNTFS-HOCLYGCPSA-N 0 3 264.413 2.226 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001028247678 804610543 /nfs/dbraw/zinc/61/05/43/804610543.db2.gz UBGLSGNZBSFRRJ-OAHLLOKOSA-N 0 3 299.418 2.111 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001028293339 804696488 /nfs/dbraw/zinc/69/64/88/804696488.db2.gz HVIDMERWNAKRDE-MRXNPFEDSA-N 0 3 297.402 2.177 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cn2ccccc2n1 ZINC001028299708 804704160 /nfs/dbraw/zinc/70/41/60/804704160.db2.gz JRJJGSBJQYBFPU-AWEZNQCLSA-N 0 3 298.390 2.105 20 30 CEEDHN CC#CCNCCN(CC)C(=O)C[C@H]1CC[C@@H](C)C1 ZINC001268472599 804719332 /nfs/dbraw/zinc/71/93/32/804719332.db2.gz XJXXLBLECSXMTD-CABCVRRESA-N 0 3 264.413 2.274 20 30 CEEDHN CC#CCNCCN(CC)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001268471678 804719224 /nfs/dbraw/zinc/71/92/24/804719224.db2.gz UPWCWSPDEJWKED-HNNXBMFYSA-N 0 3 294.439 2.043 20 30 CEEDHN CC#CCNCCN(CC)C(=O)[C@H](C)c1cccs1 ZINC001268479583 804725583 /nfs/dbraw/zinc/72/55/83/804725583.db2.gz NAHARUVAUWNWDW-CYBMUJFWSA-N 0 3 278.421 2.313 20 30 CEEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2ccco2)[C@H](OC)C1 ZINC001211765617 804768888 /nfs/dbraw/zinc/76/88/88/804768888.db2.gz FOSMMVNMFZOQRB-UMVBOHGHSA-N 0 3 292.379 2.063 20 30 CEEDHN CC[C@@H]1C[C@H]1C(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001268593115 804864428 /nfs/dbraw/zinc/86/44/28/804864428.db2.gz QECQUUAVYKUAQJ-NMBNSIPYSA-N 0 3 297.402 2.366 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CCC1(F)F ZINC001038398660 804913434 /nfs/dbraw/zinc/91/34/34/804913434.db2.gz RBCZFLKSBVJWCL-NWDGAFQWSA-N 0 3 272.339 2.188 20 30 CEEDHN C[C@H](CN(C)C[C@H]1CCCCO1)NC(=O)C#CC(C)(C)C ZINC001268730084 804947416 /nfs/dbraw/zinc/94/74/16/804947416.db2.gz LRDHDKGUOXPJOF-HUUCEWRRSA-N 0 3 294.439 2.042 20 30 CEEDHN C=CCN(C)C[C@H](C)NC(=O)CCCC1CCOCC1 ZINC001268732296 804949354 /nfs/dbraw/zinc/94/93/54/804949354.db2.gz IBQIUPYQJNMKKM-AWEZNQCLSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc(C(C)(C)C)on1 ZINC001268738627 804950970 /nfs/dbraw/zinc/95/09/70/804950970.db2.gz HRSUZQKRWGRFOB-NSHDSACASA-N 0 3 279.384 2.208 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2cccc(C(C)C)n2)C1 ZINC001028665291 805051549 /nfs/dbraw/zinc/05/15/49/805051549.db2.gz ZTXZSSNSCKGMCF-OAHLLOKOSA-N 0 3 299.418 2.280 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc(CC)s2)C1 ZINC001028666441 805055055 /nfs/dbraw/zinc/05/50/55/805055055.db2.gz FGORFSCXXVHNDT-ZDUSSCGKSA-N 0 3 290.432 2.386 20 30 CEEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001269213800 805085875 /nfs/dbraw/zinc/08/58/75/805085875.db2.gz FKBNZAGEKOYTSL-KBXIAJHMSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCN1CC[C@H]1CCCO1 ZINC001269241327 805098603 /nfs/dbraw/zinc/09/86/03/805098603.db2.gz SXQQVEOHYMMPAQ-LSDHHAIUSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001269307952 805123353 /nfs/dbraw/zinc/12/33/53/805123353.db2.gz AEARRMPBVRTLGF-CQSZACIVSA-N 0 3 275.396 2.402 20 30 CEEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cn(CC)cn1 ZINC001269331602 805131355 /nfs/dbraw/zinc/13/13/55/805131355.db2.gz KRWGFJKXYDFXMQ-KBPBESRZSA-N 0 3 290.411 2.062 20 30 CEEDHN C#CCNC1(CNC(=O)c2nsc3ccc(C)cc32)CC1 ZINC001269463741 805172616 /nfs/dbraw/zinc/17/26/16/805172616.db2.gz AENFZBOAAKXOHN-UHFFFAOYSA-N 0 3 299.399 2.090 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001028778750 805243448 /nfs/dbraw/zinc/24/34/48/805243448.db2.gz KOAIQFYELNFORG-ZDUSSCGKSA-N 0 3 290.794 2.333 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001028833547 805291098 /nfs/dbraw/zinc/29/10/98/805291098.db2.gz MILQQWUFDUHQBR-CQSZACIVSA-N 0 3 295.386 2.243 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001028863921 805320513 /nfs/dbraw/zinc/32/05/13/805320513.db2.gz GRCKETHPYMDRRQ-HNNXBMFYSA-N 0 3 294.398 2.331 20 30 CEEDHN C[C@@H](C#N)c1cccc(C(=O)N2CCC3(CN(C)C3)CC2)c1 ZINC001270138649 805352560 /nfs/dbraw/zinc/35/25/60/805352560.db2.gz HIAFWEGCRNJFAX-AWEZNQCLSA-N 0 3 297.402 2.481 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc(Cl)cc2)C1 ZINC001028947125 805377494 /nfs/dbraw/zinc/37/74/94/805377494.db2.gz SAEMZWMLTHRMDG-ZDUSSCGKSA-N 0 3 290.794 2.415 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001028969211 805393436 /nfs/dbraw/zinc/39/34/36/805393436.db2.gz CLZBCMPPOVENQV-HNNXBMFYSA-N 0 3 296.414 2.250 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccncc1CC ZINC001038430053 805555873 /nfs/dbraw/zinc/55/58/73/805555873.db2.gz SURBHJRQNUIPAD-OAHLLOKOSA-N 0 3 287.407 2.414 20 30 CEEDHN C#Cc1cncc(C(=O)N[C@H]2CCN(CC=C(C)C)[C@@H]2C)c1 ZINC001088846955 807205284 /nfs/dbraw/zinc/20/52/84/807205284.db2.gz POBHOKUKBYPJJM-PBHICJAKSA-N 0 3 297.402 2.222 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1ncsc1C1CC1 ZINC001119362748 815099121 /nfs/dbraw/zinc/09/91/21/815099121.db2.gz IHFJNZMCZVDFJV-JTQLQIEISA-N 0 3 278.381 2.370 20 30 CEEDHN Cc1cccc(CC(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000170673234 807229275 /nfs/dbraw/zinc/22/92/75/807229275.db2.gz SIMIZWYFHRVAPB-HNNXBMFYSA-N 0 3 284.359 2.305 20 30 CEEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H]3CC3(C)C)C2)CC1 ZINC001040674749 807243969 /nfs/dbraw/zinc/24/39/69/807243969.db2.gz PFUOGGLWZITANS-HNNXBMFYSA-N 0 3 288.435 2.370 20 30 CEEDHN Cc1[nH]nc(CNCc2ccc(OCC#N)cc2)c1C ZINC000716461867 815125523 /nfs/dbraw/zinc/12/55/23/815125523.db2.gz CDPLGCLKKNZQPF-UHFFFAOYSA-N 0 3 270.336 2.219 20 30 CEEDHN C=CCNC(=O)[C@@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001272501536 807556203 /nfs/dbraw/zinc/55/62/03/807556203.db2.gz AUABSVKJECGOBY-NSHDSACASA-N 0 3 290.329 2.343 20 30 CEEDHN C=CCCCC(=O)C(C#N)C(=O)NCCCCC ZINC000176524731 807643215 /nfs/dbraw/zinc/64/32/15/807643215.db2.gz QJIMSVUACGIUHV-GFCCVEGCSA-N 0 3 250.342 2.358 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001046761256 807832029 /nfs/dbraw/zinc/83/20/29/807832029.db2.gz SZSAFNDOYGGCFL-QGZVFWFLSA-N 0 3 287.407 2.274 20 30 CEEDHN CCCCCCN1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1 ZINC001212240830 808012900 /nfs/dbraw/zinc/01/29/00/808012900.db2.gz DTCDANVEIAHUKV-HZPDHXFCSA-N 0 3 294.439 2.042 20 30 CEEDHN C#CCCN1CC(CNC(=O)c2csc(C)c2C)C1 ZINC001031696741 808056864 /nfs/dbraw/zinc/05/68/64/808056864.db2.gz XPDOZANYPDGWOB-UHFFFAOYSA-N 0 3 276.405 2.050 20 30 CEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccn1 ZINC001089598561 808065042 /nfs/dbraw/zinc/06/50/42/808065042.db2.gz IYDOCCGGRUXQBO-OAHLLOKOSA-N 0 3 299.418 2.325 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001089644643 808085132 /nfs/dbraw/zinc/08/51/32/808085132.db2.gz JRWLXQIEQNJGDY-CQSZACIVSA-N 0 3 275.396 2.421 20 30 CEEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC ZINC001089748455 808113354 /nfs/dbraw/zinc/11/33/54/808113354.db2.gz RMHACCZNCHCJLE-DGAVXFQQSA-N 0 3 282.815 2.318 20 30 CEEDHN C#CCCN1CC(CNC(=O)C2CCCCCCC2)C1 ZINC001031835923 808164315 /nfs/dbraw/zinc/16/43/15/808164315.db2.gz JJLUFTGEPNMHSF-UHFFFAOYSA-N 0 3 276.424 2.418 20 30 CEEDHN C#CCCN1CC(CNC(=O)c2ccc(C(C)C)nc2C)C1 ZINC001031982702 808225621 /nfs/dbraw/zinc/22/56/21/808225621.db2.gz AOPVRSYHQKEGPW-UHFFFAOYSA-N 0 3 299.418 2.198 20 30 CEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cnoc3)CC2)C1=O ZINC001272709017 808229749 /nfs/dbraw/zinc/22/97/49/808229749.db2.gz BSHDFZPJTUWEQK-INIZCTEOSA-N 0 3 289.379 2.065 20 30 CEEDHN CC(C)[C@H](C)CC(=O)NCCNCc1cccc(C#N)c1 ZINC001124681213 808239917 /nfs/dbraw/zinc/23/99/17/808239917.db2.gz MLQYWDKPYAQGTM-CQSZACIVSA-N 0 3 287.407 2.446 20 30 CEEDHN CC(=O)N1CC[C@@]2(CCN(Cc3cccc(C#N)c3)C2)C1 ZINC001040964201 808263765 /nfs/dbraw/zinc/26/37/65/808263765.db2.gz CCPWVTUNHFUIEM-QGZVFWFLSA-N 0 3 283.375 2.003 20 30 CEEDHN C#CCCN1CC(CNC(=O)c2ccc(C(F)F)cc2)C1 ZINC001032055035 808265556 /nfs/dbraw/zinc/26/55/56/808265556.db2.gz NONDYAJXWJMEDM-UHFFFAOYSA-N 0 3 292.329 2.309 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)C ZINC001032281422 808385487 /nfs/dbraw/zinc/38/54/87/808385487.db2.gz BISBGPOZDMINIJ-STQMWFEESA-N 0 3 250.386 2.284 20 30 CEEDHN C[C@@H]1C[C@@H](N2CCC(=O)[C@H](C#N)C2)CN1Cc1ccccc1 ZINC001171764188 815228940 /nfs/dbraw/zinc/22/89/40/815228940.db2.gz ROFZYCLFCLUGHW-DJIMGWMZSA-N 0 3 297.402 2.064 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccn2c1 ZINC001032663582 808781146 /nfs/dbraw/zinc/78/11/46/808781146.db2.gz SGNARCVUERAYEY-IRXDYDNUSA-N 0 3 295.386 2.414 20 30 CEEDHN CC#CCNCCNC(=O)c1c(C)oc2ccccc21 ZINC001128075776 808791140 /nfs/dbraw/zinc/79/11/40/808791140.db2.gz WRSVDASYTCOHFT-UHFFFAOYSA-N 0 3 270.332 2.084 20 30 CEEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@H](C)CC)cn1 ZINC001032740204 808817817 /nfs/dbraw/zinc/81/78/17/808817817.db2.gz VUQLGZYPTNQYOF-COXVUDFISA-N 0 3 297.402 2.008 20 30 CEEDHN C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1ccc[nH]1)CC2 ZINC001272929941 808938434 /nfs/dbraw/zinc/93/84/34/808938434.db2.gz XXPCQVUQEDWJBF-HNNXBMFYSA-N 0 3 287.407 2.309 20 30 CEEDHN C#CCN(CC#C)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171907377 815248747 /nfs/dbraw/zinc/24/87/47/815248747.db2.gz SIQANHURDIREMW-GOSISDBHSA-N 0 3 294.398 2.250 20 30 CEEDHN C=C(Cl)C(C)(C)C(=O)NCCNC/C=C/Cl ZINC001128200781 808993790 /nfs/dbraw/zinc/99/37/90/808993790.db2.gz ZHNOIWKUWHEORR-SNAWJCMRSA-N 0 3 265.184 2.223 20 30 CEEDHN CC#CCNCCNC(=O)Cc1coc2ccc(C)cc12 ZINC001128423846 809049927 /nfs/dbraw/zinc/04/99/27/809049927.db2.gz GDLRCWZPOOLSIZ-UHFFFAOYSA-N 0 3 284.359 2.013 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccoc2Cl)C1 ZINC001033035256 809153896 /nfs/dbraw/zinc/15/38/96/809153896.db2.gz DYLKCQGJWJYYJH-LLVKDONJSA-N 0 3 280.755 2.103 20 30 CEEDHN C#CCNC1(CNC(=O)c2cc3ccsc3[nH]2)CCC1 ZINC001280495267 809213679 /nfs/dbraw/zinc/21/36/79/809213679.db2.gz NLFIVCGUGQDLEQ-UHFFFAOYSA-N 0 3 287.388 2.105 20 30 CEEDHN C=C(C)CCC(=O)Nc1cc(N2CCN(C)CC2)ccn1 ZINC001120768396 815270919 /nfs/dbraw/zinc/27/09/19/815270919.db2.gz WPCBCYFVGJYWQZ-UHFFFAOYSA-N 0 3 288.395 2.128 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc[nH]c2CCC)C1 ZINC001033342434 809277993 /nfs/dbraw/zinc/27/79/93/809277993.db2.gz HAYXYYLFHAVPIK-AWEZNQCLSA-N 0 3 287.407 2.137 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccccc2CC)C1 ZINC001033375148 809286392 /nfs/dbraw/zinc/28/63/92/809286392.db2.gz IYOJBAXTAHJVDL-MRXNPFEDSA-N 0 3 284.403 2.419 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c(C)cccc2C)C1 ZINC001033443228 809303853 /nfs/dbraw/zinc/30/38/53/809303853.db2.gz MCSCHDYPQHFVFR-MRXNPFEDSA-N 0 3 284.403 2.473 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccn3ccnc23)C1 ZINC001033494645 809321892 /nfs/dbraw/zinc/32/18/92/809321892.db2.gz MHVBINQUMWIDCQ-CQSZACIVSA-N 0 3 298.390 2.057 20 30 CEEDHN C=C(C)CCN1CC[C@@H](N(C)C(=O)c2nccs2)C1 ZINC001033528283 809328920 /nfs/dbraw/zinc/32/89/20/809328920.db2.gz ZHBMEALLDJMJGI-GFCCVEGCSA-N 0 3 279.409 2.256 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cn3ccccc3n2)C1 ZINC001033636383 809367832 /nfs/dbraw/zinc/36/78/32/809367832.db2.gz XPOCRZDKXGEWSX-CQSZACIVSA-N 0 3 298.390 2.057 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c(C)cccc2F)C1 ZINC001033714318 809389248 /nfs/dbraw/zinc/38/92/48/809389248.db2.gz YLLXPJCQOLRPTL-CQSZACIVSA-N 0 3 288.366 2.304 20 30 CEEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2c(C)noc2C)C1 ZINC001033744140 809401938 /nfs/dbraw/zinc/40/19/38/809401938.db2.gz GNFABHGJOPXNMF-AWEZNQCLSA-N 0 3 291.395 2.404 20 30 CEEDHN CC(C)O[C@@H]1CCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000701730390 809455679 /nfs/dbraw/zinc/45/56/79/809455679.db2.gz VXLHVRLRTMTGDI-HZPDHXFCSA-N 0 3 274.364 2.091 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2occc2CC)C1 ZINC001033946383 809458015 /nfs/dbraw/zinc/45/80/15/809458015.db2.gz VCDYUINXNGCXAK-OAHLLOKOSA-N 0 3 288.391 2.402 20 30 CEEDHN C=CCCN1CCCC[C@@H](NC(=O)c2cncs2)C1 ZINC001034124069 809513120 /nfs/dbraw/zinc/51/31/20/809513120.db2.gz PQIBQUPLMCQLKH-GFCCVEGCSA-N 0 3 279.409 2.304 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001034137544 809530339 /nfs/dbraw/zinc/53/03/39/809530339.db2.gz FZLUWIOZGKCYLL-OAHLLOKOSA-N 0 3 262.397 2.499 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001034185364 809543544 /nfs/dbraw/zinc/54/35/44/809543544.db2.gz PXXABEPCBRNBMW-AVGNSLFASA-N 0 3 286.366 2.434 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC001034187746 809543857 /nfs/dbraw/zinc/54/38/57/809543857.db2.gz QNJFTHYHXQSITD-AWEZNQCLSA-N 0 3 275.396 2.484 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001034307243 809575165 /nfs/dbraw/zinc/57/51/65/809575165.db2.gz SKWZFROFCIWWDE-LSDHHAIUSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)CC2CC(OCC)C2)C1 ZINC001034370558 809589440 /nfs/dbraw/zinc/58/94/40/809589440.db2.gz YEAZHZWSKAGHRJ-PCKAHOCUSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001034380671 809593918 /nfs/dbraw/zinc/59/39/18/809593918.db2.gz TYBQLKOZFXADIA-RDJZCZTQSA-N 0 3 284.403 2.483 20 30 CEEDHN C#Cc1cncc(C(=O)N[C@@H]2CCCCN(CC(=C)C)C2)c1 ZINC001034392793 809595080 /nfs/dbraw/zinc/59/50/80/809595080.db2.gz OWFYQAWEDSFGIZ-QGZVFWFLSA-N 0 3 297.402 2.223 20 30 CEEDHN CC(=O)N[C@H]1CC[C@H](NCc2cc(F)ccc2C#N)CC1 ZINC001034572124 809630639 /nfs/dbraw/zinc/63/06/39/809630639.db2.gz NGPDHBMEHLRNJH-WKILWMFISA-N 0 3 289.354 2.234 20 30 CEEDHN N#Cc1ccc(-c2ccc(-n3nccc3CN)cc2)o1 ZINC001162593971 809680927 /nfs/dbraw/zinc/68/09/27/809680927.db2.gz WKLJBWUPNONIGK-UHFFFAOYSA-N 0 3 264.288 2.463 20 30 CEEDHN CC#CCNCCNC(=O)[C@H](C)CCc1ccc(F)cc1 ZINC001129024014 809717060 /nfs/dbraw/zinc/71/70/60/809717060.db2.gz FDFONTMRRJOAJE-CQSZACIVSA-N 0 3 290.382 2.124 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CCCC[C@H]2OC)CC1 ZINC001045651687 809761058 /nfs/dbraw/zinc/76/10/58/809761058.db2.gz VHOCCOMGAGSORL-LSDHHAIUSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)C(C)(C)C=C)CC2 ZINC001035766875 809811928 /nfs/dbraw/zinc/81/19/28/809811928.db2.gz KXROULIYMAKXGV-UHFFFAOYSA-N 0 3 274.408 2.146 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)CC1(C)CC1)CC2 ZINC001035751609 809813804 /nfs/dbraw/zinc/81/38/04/809813804.db2.gz FBSUTDKZIFXSKV-UHFFFAOYSA-N 0 3 274.408 2.124 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(CF)CC1)CC2 ZINC001035792365 809815607 /nfs/dbraw/zinc/81/56/07/809815607.db2.gz QTUJZUOZVPDCKM-UHFFFAOYSA-N 0 3 280.387 2.237 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1nccs1)CC2 ZINC001035820772 809818992 /nfs/dbraw/zinc/81/89/92/809818992.db2.gz LJSJWZWRZVSIDL-UHFFFAOYSA-N 0 3 291.420 2.257 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C(C)C)CC2 ZINC001035830572 809821885 /nfs/dbraw/zinc/82/18/85/809821885.db2.gz RDSHQKZNWZZWIF-JKSUJKDBSA-N 0 3 288.435 2.226 20 30 CEEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)[C@]12C[C@H]1CCCC2 ZINC000709253669 809958731 /nfs/dbraw/zinc/95/87/31/809958731.db2.gz ZBYSLVHDWSABJX-NHIYQJMISA-N 0 3 277.412 2.483 20 30 CEEDHN CC(=O)N1CC[C@@H]2[C@H](CCN2Cc2ccccc2C#N)C1 ZINC001036611048 809966177 /nfs/dbraw/zinc/96/61/77/809966177.db2.gz XZDLPSVFTRTFRV-IAGOWNOFSA-N 0 3 283.375 2.001 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001079533996 810215637 /nfs/dbraw/zinc/21/56/37/810215637.db2.gz GOHUWDBIOVNQCN-VXGBXAGGSA-N 0 3 264.413 2.291 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001079676690 810228208 /nfs/dbraw/zinc/22/82/08/810228208.db2.gz XYFNODUCNJTFFX-IUODEOHRSA-N 0 3 262.397 2.499 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC001079746134 810233494 /nfs/dbraw/zinc/23/34/94/810233494.db2.gz COCJBVHHNWUJTN-UKRRQHHQSA-N 0 3 288.366 2.208 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001079954035 810239956 /nfs/dbraw/zinc/23/99/56/810239956.db2.gz QDGKLQNYUMTRIF-HZSPNIEDSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC001079980688 810242413 /nfs/dbraw/zinc/24/24/13/810242413.db2.gz WORXOLCDDTVOSW-RHSMWYFYSA-N 0 3 286.419 2.414 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001014938974 810245730 /nfs/dbraw/zinc/24/57/30/810245730.db2.gz ZHUKNJNDLVHEBZ-AEFFLSMTSA-N 0 3 296.414 2.320 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001080177732 810253880 /nfs/dbraw/zinc/25/38/80/810253880.db2.gz XYXMOEGIBCRQQE-DGXTUMSLSA-N 0 3 276.424 2.435 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001080426613 810278248 /nfs/dbraw/zinc/27/82/48/810278248.db2.gz RHXCTQDINNHUGK-JHJVBQTASA-N 0 3 286.366 2.434 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001080878379 810314769 /nfs/dbraw/zinc/31/47/69/810314769.db2.gz PDPOMBGQIHNZON-IAQYHMDHSA-N 0 3 292.329 2.038 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001081006931 810321617 /nfs/dbraw/zinc/32/16/17/810321617.db2.gz VEQPFIDAQMFDCP-OPKDVZQQSA-N 0 3 276.424 2.435 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001015649399 810323655 /nfs/dbraw/zinc/32/36/55/810323655.db2.gz UPNNPTZAYQLXFA-CQSZACIVSA-N 0 3 290.794 2.476 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H](C)Oc1ccccc1 ZINC001121847935 815360893 /nfs/dbraw/zinc/36/08/93/815360893.db2.gz DNODPHFXVJLJGR-UKRRQHHQSA-N 0 3 276.380 2.254 20 30 CEEDHN C=C1CCC(C(=O)N[C@H]2CCN(CCCF)C2)CC1 ZINC001015660410 810327274 /nfs/dbraw/zinc/32/72/74/810327274.db2.gz ZTIWFINHZBMKGP-AWEZNQCLSA-N 0 3 268.376 2.283 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001081017449 810328779 /nfs/dbraw/zinc/32/87/79/810328779.db2.gz BZZLGOBUGJVHSD-CZUORRHYSA-N 0 3 288.366 2.230 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1c1ccccc1 ZINC001081077377 810329458 /nfs/dbraw/zinc/32/94/58/810329458.db2.gz QBZATPPBOXKWLW-ZWKOTPCHSA-N 0 3 296.414 2.394 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)C2=CCCCCC2)[C@H](OC)C1 ZINC001081581699 810341319 /nfs/dbraw/zinc/34/13/19/810341319.db2.gz RADLLYWQLKMSCS-HZPDHXFCSA-N 0 3 292.423 2.268 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001015758659 810347563 /nfs/dbraw/zinc/34/75/63/810347563.db2.gz VOWFPCGJESEODS-ZDUSSCGKSA-N 0 3 284.350 2.026 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cccn2C2CCCC2)C1 ZINC001015911426 810371074 /nfs/dbraw/zinc/37/10/74/810371074.db2.gz OQPUXFGUFOIAPZ-HNNXBMFYSA-N 0 3 299.418 2.431 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001015987523 810383079 /nfs/dbraw/zinc/38/30/79/810383079.db2.gz KVDOROCVBBOJAR-KGLIPLIRSA-N 0 3 290.432 2.374 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001016373006 810429769 /nfs/dbraw/zinc/42/97/69/810429769.db2.gz DKLZBZRAJQGSRL-LPHOPBHVSA-N 0 3 296.414 2.104 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2ccoc2C)CC1 ZINC001016499653 810444935 /nfs/dbraw/zinc/44/49/35/810444935.db2.gz QRZHGARSCZSNOA-HNNXBMFYSA-N 0 3 286.375 2.196 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2oc(C)cc2C)CC1 ZINC001016557295 810452262 /nfs/dbraw/zinc/45/22/62/810452262.db2.gz QQBOWEFJDIFSTB-CQSZACIVSA-N 0 3 286.375 2.114 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC001016566605 810452578 /nfs/dbraw/zinc/45/25/78/810452578.db2.gz UREUXOVRRXXMQL-QXSJWSMHSA-N 0 3 286.419 2.027 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@H]3CCCCO3)[C@@H]2C1 ZINC001084272332 810457014 /nfs/dbraw/zinc/45/70/14/810457014.db2.gz UQRUNBDSOFLLTN-BZUAXINKSA-N 0 3 292.423 2.054 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H]3CCCCO3)[C@@H]2C1 ZINC001084272333 810457829 /nfs/dbraw/zinc/45/78/29/810457829.db2.gz UQRUNBDSOFLLTN-OWCLPIDISA-N 0 3 292.423 2.054 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001016654972 810460056 /nfs/dbraw/zinc/46/00/56/810460056.db2.gz SNWFREFRMVMPQL-CHWSQXEVSA-N 0 3 296.361 2.026 20 30 CEEDHN CN1CC2(C1)CCN(C(=O)Nc1cccc(C#N)c1)CC2 ZINC001202786843 810460147 /nfs/dbraw/zinc/46/01/47/810460147.db2.gz JEQNOPJGDNTYHA-UHFFFAOYSA-N 0 3 284.363 2.118 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC23CC3)CC1 ZINC001016685943 810461340 /nfs/dbraw/zinc/46/13/40/810461340.db2.gz SUTMVHRARZOUDW-LSDHHAIUSA-N 0 3 286.419 2.171 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)/C=C\c3ccc[nH]3)[C@@H]2C1 ZINC001084304242 810462019 /nfs/dbraw/zinc/46/20/19/810462019.db2.gz 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/nfs/dbraw/zinc/51/91/46/810519146.db2.gz ZMRXWPRCMJBVDM-HRCADAONSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]1OC ZINC001017677250 810541366 /nfs/dbraw/zinc/54/13/66/810541366.db2.gz QYDCSKWYECKQGV-QXSJWSMHSA-N 0 3 292.423 2.053 20 30 CEEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)COC ZINC001230545133 810542772 /nfs/dbraw/zinc/54/27/72/810542772.db2.gz YVSGJLFIOXSTDM-AWEZNQCLSA-N 0 3 270.417 2.136 20 30 CEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)OCC ZINC001098927909 810543635 /nfs/dbraw/zinc/54/36/35/810543635.db2.gz QFRGQGTWUSCBKZ-LSDHHAIUSA-N 0 3 294.439 2.042 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2c[nH]nc2C2CC2)CC1 ZINC001006221611 810569348 /nfs/dbraw/zinc/56/93/48/810569348.db2.gz CERIRCBLZZYNOX-UHFFFAOYSA-N 0 3 288.395 2.010 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1C ZINC001018106175 810586974 /nfs/dbraw/zinc/58/69/74/810586974.db2.gz OYTSQTNYZDCOEM-CAOSSQGBSA-N 0 3 292.423 2.053 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCOCC ZINC001098960315 810608759 /nfs/dbraw/zinc/60/87/59/810608759.db2.gz MDRNACKHCKKWPB-AWEZNQCLSA-N 0 3 282.428 2.206 20 30 CEEDHN Cc1cnc(CN[C@@H](C)Cc2ccc(C#N)cc2)cn1 ZINC001172293372 815383494 /nfs/dbraw/zinc/38/34/94/815383494.db2.gz VYGBWMUJXRXBAD-LBPRGKRZSA-N 0 3 266.348 2.378 20 30 CEEDHN C/C=C(\C)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001018692062 810647209 /nfs/dbraw/zinc/64/72/09/810647209.db2.gz AUPKVQYYUDDKFJ-JPOQUURFSA-N 0 3 289.404 2.276 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)CCOC2 ZINC001122069348 815382379 /nfs/dbraw/zinc/38/23/79/815382379.db2.gz LIHGJCMMJLHWSK-OAHLLOKOSA-N 0 3 274.364 2.381 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc(C)c(C)cc2Cl)C1 ZINC001019235804 810686950 /nfs/dbraw/zinc/68/69/50/810686950.db2.gz MPKBWKYVCTZHRO-ZDUSSCGKSA-N 0 3 290.794 2.394 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC[C@H](NCc3cccnc3C)C2)C1 ZINC001019353626 810703978 /nfs/dbraw/zinc/70/39/78/810703978.db2.gz UKSDRTKDZSTWMW-INIZCTEOSA-N 0 3 299.418 2.437 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC001019521538 810717697 /nfs/dbraw/zinc/71/76/97/810717697.db2.gz NMHLWIVIZSAFFM-PBHICJAKSA-N 0 3 284.403 2.176 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC001019705119 810731831 /nfs/dbraw/zinc/73/18/31/810731831.db2.gz BCPGPZJOHQTCOS-YJBOKZPZSA-N 0 3 296.414 2.005 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccccc2CC(C)C)C1 ZINC001019848620 810744764 /nfs/dbraw/zinc/74/47/64/810744764.db2.gz QNJFGYPRDNBFGG-INIZCTEOSA-N 0 3 284.403 2.322 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1c2ccccc2OC[C@H]1F ZINC001122248650 815396450 /nfs/dbraw/zinc/39/64/50/815396450.db2.gz RPNRXKIANQGQIG-VNHYZAJKSA-N 0 3 292.354 2.258 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(C)n1C ZINC001085485551 810785693 /nfs/dbraw/zinc/78/56/93/810785693.db2.gz DINZUZFMZVMMHT-HNNXBMFYSA-N 0 3 289.423 2.446 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)C1 ZINC001020321351 810789181 /nfs/dbraw/zinc/78/91/81/810789181.db2.gz 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DHWRKBKNFHWRGK-LBPRGKRZSA-N 0 3 287.363 2.483 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)cc(C)n1 ZINC001085685865 810877368 /nfs/dbraw/zinc/87/73/68/810877368.db2.gz DACFWVWXMULVTC-HNNXBMFYSA-N 0 3 287.407 2.421 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccn2cncc2c1 ZINC001085699881 810882136 /nfs/dbraw/zinc/88/21/36/810882136.db2.gz YBZADPYWPJRSKT-HNNXBMFYSA-N 0 3 298.390 2.057 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(OC)cc1C ZINC001038669145 810885182 /nfs/dbraw/zinc/88/51/82/810885182.db2.gz NJGGDMQIBCCRHE-CQSZACIVSA-N 0 3 288.391 2.384 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001038676228 810887208 /nfs/dbraw/zinc/88/72/08/810887208.db2.gz IIKKOANKPQXIFR-MGPQQGTHSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(F)c[nH]1 ZINC001085728621 810891054 /nfs/dbraw/zinc/89/10/54/810891054.db2.gz CIAYPESUHSBYJM-CYBMUJFWSA-N 0 3 279.359 2.266 20 30 CEEDHN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)[nH]n1 ZINC001085832714 810934038 /nfs/dbraw/zinc/93/40/38/810934038.db2.gz ORTGKUBSNSUAOK-CYBMUJFWSA-N 0 3 290.411 2.256 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(OC)cc1 ZINC001038955458 810956500 /nfs/dbraw/zinc/95/65/00/810956500.db2.gz JWQQMILWFSTOHS-CQSZACIVSA-N 0 3 274.364 2.075 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cn2ccccc2n1 ZINC001038987654 810963920 /nfs/dbraw/zinc/96/39/20/810963920.db2.gz CVTCPHYEICEXGQ-AWEZNQCLSA-N 0 3 298.390 2.105 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCCc1ccc(OCC)cc1 ZINC001122439044 815411681 /nfs/dbraw/zinc/41/16/81/815411681.db2.gz HBKARCUUSIDXJI-MRXNPFEDSA-N 0 3 290.407 2.428 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cc2n(c1)CCCC2 ZINC001039108903 810987253 /nfs/dbraw/zinc/98/72/53/810987253.db2.gz YDOFAYCYOHEJBJ-MRXNPFEDSA-N 0 3 287.407 2.205 20 30 CEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)C=C2CCC2)C1 ZINC001039196660 810996981 /nfs/dbraw/zinc/99/69/81/810996981.db2.gz BGKFSRXSVGMQIA-DLBZAZTESA-N 0 3 286.419 2.433 20 30 CEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2cc[nH]c2C)C1 ZINC001039202934 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C#CCN1CCC2(CCN(C(=O)[C@H](C)C(C)C)C2)CC1 ZINC001040870339 811127208 /nfs/dbraw/zinc/12/72/08/811127208.db2.gz HPAMZVPQLXPNCV-OAHLLOKOSA-N 0 3 276.424 2.226 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)/C=C\C(C)(C)C ZINC001155796500 811139789 /nfs/dbraw/zinc/13/97/89/811139789.db2.gz WHDVMUXOAQLFDU-SREVYHEPSA-N 0 3 258.793 2.437 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001086483371 811158297 /nfs/dbraw/zinc/15/82/97/811158297.db2.gz YYJIMZMLQAMIIR-FDYHWXHSSA-N 0 3 270.804 2.269 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)C3(F)CCCC3)C2)C1 ZINC001041420639 811166838 /nfs/dbraw/zinc/16/68/38/811166838.db2.gz AVVNYRMVHWDFFO-INIZCTEOSA-N 0 3 292.398 2.216 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)C3(C4CC4)CCC3)C2)C1 ZINC001041512578 811171262 /nfs/dbraw/zinc/17/12/62/811171262.db2.gz NWJDXGYUOFDJHR-KRWDZBQOSA-N 0 3 286.419 2.124 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CCC3CC3)C[C@H]21 ZINC001041982881 811227550 /nfs/dbraw/zinc/22/75/50/811227550.db2.gz SLPAXHOKURKHKD-HZPDHXFCSA-N 0 3 274.408 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CEEDHN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cnns1 ZINC001135358666 813415204 /nfs/dbraw/zinc/41/52/04/813415204.db2.gz WIIXJAGKRGKBFZ-NEPJUHHUSA-N 0 3 296.440 2.267 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2C=CC=CC=C2)CC[C@H]1C ZINC001071540032 813435330 /nfs/dbraw/zinc/43/53/30/813435330.db2.gz REXWAINJSVXDOW-NVXWUHKLSA-N 0 3 284.403 2.277 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2csc(=O)[nH]2)CC[C@@H]1C ZINC001071752953 813476057 /nfs/dbraw/zinc/47/60/57/813476057.db2.gz MEODBIPMCQSBAS-QWRGUYRKSA-N 0 3 295.408 2.008 20 30 CEEDHN C=CCCN1C[C@H](NC(=O)c2conc2C)CC[C@@H]1C ZINC001071793357 813484709 /nfs/dbraw/zinc/48/47/09/813484709.db2.gz ZDZZAXGUHIQWTK-WCQYABFASA-N 0 3 277.368 2.142 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2[nH]c(C)nc2C)CC[C@H]1C ZINC001071831479 813492663 /nfs/dbraw/zinc/49/26/63/813492663.db2.gz HLCGSUGLNRYTIW-BXUZGUMPSA-N 0 3 290.411 2.185 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)c2nccs2)CC[C@H]1C ZINC001071926835 813514960 /nfs/dbraw/zinc/51/49/60/813514960.db2.gz 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CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CC(F)(F)C2)C1 ZINC001098783933 813950059 /nfs/dbraw/zinc/95/00/59/813950059.db2.gz ZEGNYIMWQSURNW-ZFWWWQNUSA-N 0 3 296.361 2.026 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2(F)CCCC2)C1 ZINC001098913455 813962577 /nfs/dbraw/zinc/96/25/77/813962577.db2.gz ZLCPHLGPPWISBR-BBRMVZONSA-N 0 3 280.387 2.425 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)C1CC1)C2 ZINC001111472527 814004597 /nfs/dbraw/zinc/00/45/97/814004597.db2.gz UIBNXXPFGGHEPF-XZDPQHSOSA-N 0 3 274.408 2.167 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)CC2(C)CCCC2)[C@@H](O)C1 ZINC001099816291 814037869 /nfs/dbraw/zinc/03/78/69/814037869.db2.gz VYXFSKNFBWXZIW-GJZGRUSLSA-N 0 3 294.439 2.084 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)CCCCCC)[C@@H](O)C1 ZINC001100099620 814062157 /nfs/dbraw/zinc/06/21/57/814062157.db2.gz STGGCUARLWCOBY-GJZGRUSLSA-N 0 3 282.428 2.084 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)NCc1ccn(C)n1 ZINC001171182633 814069460 /nfs/dbraw/zinc/06/94/60/814069460.db2.gz 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/nfs/dbraw/zinc/23/05/09/814230509.db2.gz ZEPOHSZEEXNHMI-KCEHYLLSSA-N 0 3 274.408 2.002 20 30 CEEDHN C#CCCCC(=O)N1C[C@H]2CN(C[C@@H](F)CC)C[C@@]2(C)C1 ZINC001101217558 814233903 /nfs/dbraw/zinc/23/39/03/814233903.db2.gz ARJLGHABRJPRBY-VYDXJSESSA-N 0 3 294.414 2.318 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccccc3C)C[C@]2(C)C1 ZINC001091449957 814244925 /nfs/dbraw/zinc/24/49/25/814244925.db2.gz GUONDPZSQRWRLB-APWZRJJASA-N 0 3 296.414 2.412 20 30 CEEDHN CC#CCNCCNC(=O)c1cccc(C(C)C)c1 ZINC001146643110 814304431 /nfs/dbraw/zinc/30/44/31/814304431.db2.gz NIABRVNSISFSSC-UHFFFAOYSA-N 0 3 258.365 2.153 20 30 CEEDHN C#CCCCC(=O)NC[C@@H]1CN(Cc2ccccn2)C[C@H]1C ZINC001101921711 814339507 /nfs/dbraw/zinc/33/95/07/814339507.db2.gz CIPLMGSHGWZPLG-HZPDHXFCSA-N 0 3 299.418 2.069 20 30 CEEDHN C#CCC1(C(=O)NCC[C@@H]2CN(CCF)C[C@H]2C)CCC1 ZINC001103076233 814469639 /nfs/dbraw/zinc/46/96/39/814469639.db2.gz VXCMECJCEKTIHM-HUUCEWRRSA-N 0 3 294.414 2.224 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H](CC)Cc1ccccc1C ZINC001147865121 814507949 /nfs/dbraw/zinc/50/79/49/814507949.db2.gz NSTLPYITRQKCFL-INIZCTEOSA-N 0 3 286.419 2.293 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)/C=C\c2ccco2)C1 ZINC001111568280 814585523 /nfs/dbraw/zinc/58/55/23/814585523.db2.gz SOHZIZBATIHRQE-VFGATPKVSA-N 0 3 298.386 2.287 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C(C)(F)F)C1 ZINC001111875938 814625527 /nfs/dbraw/zinc/62/55/27/814625527.db2.gz LQXAXRLSKYUXMP-HUBLWGQQSA-N 0 3 286.366 2.434 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H](C)CC)C1 ZINC001111910127 814632296 /nfs/dbraw/zinc/63/22/96/814632296.db2.gz QAABEHFKQXQUHC-VYDXJSESSA-N 0 3 276.424 2.417 20 30 CEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[C@H]3C)C2)CC1 ZINC001086937509 814652630 /nfs/dbraw/zinc/65/26/30/814652630.db2.gz QZIVXODSBVCWEG-OWCLPIDISA-N 0 3 288.435 2.369 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C3(C)CCCC3)C[C@]2(C)C1 ZINC001091892711 814678776 /nfs/dbraw/zinc/67/87/76/814678776.db2.gz AZVOGQCIRWYJEQ-QAPCUYQASA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)c1ccccc1 ZINC001115203358 814686227 /nfs/dbraw/zinc/68/62/27/814686227.db2.gz OYGWPYIPRIMVOJ-KMANFZQXSA-N 0 3 284.403 2.413 20 30 CEEDHN C#CCCCCNCc1cn(C)nc1Br ZINC000712436828 814746288 /nfs/dbraw/zinc/74/62/88/814746288.db2.gz STGUFVNMHUSPFI-UHFFFAOYSA-N 0 3 270.174 2.076 20 30 CEEDHN CC1(C#N)CCN(C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000712686339 814761572 /nfs/dbraw/zinc/76/15/72/814761572.db2.gz CHALSGZJEKCTNZ-AWEZNQCLSA-N 0 3 278.396 2.198 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC(CCC)CC2)C1=O ZINC001116918136 814892214 /nfs/dbraw/zinc/89/22/14/814892214.db2.gz VFEQLSTXTDTHCV-CQSZACIVSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCN2CCF)C1 ZINC001036793341 814912017 /nfs/dbraw/zinc/91/20/17/814912017.db2.gz CPEQWYBUVWYPCO-UONOGXRCSA-N 0 3 282.403 2.481 20 30 CEEDHN COc1ccc(CN2C[C@H](C)N(C)C[C@H]2C)c(C#N)c1 ZINC001137699755 815667674 /nfs/dbraw/zinc/66/76/74/815667674.db2.gz TVXVNXDSILMJSB-QWHCGFSZSA-N 0 3 273.380 2.091 20 30 CEEDHN N#CCC1CCC(NCc2ccn(CCF)n2)CC1 ZINC001173333899 815680936 /nfs/dbraw/zinc/68/09/36/815680936.db2.gz SNGDUJOOWWABLB-UHFFFAOYSA-N 0 3 264.348 2.415 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CCC[C@H]2C(=O)NCC)c1[O-] ZINC001138631285 815849762 /nfs/dbraw/zinc/84/97/62/815849762.db2.gz NVUASFLXDSLMEI-HNNXBMFYSA-N 0 3 288.391 2.221 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H]2C(=O)NCC)c1[O-] ZINC001138631285 815849770 /nfs/dbraw/zinc/84/97/70/815849770.db2.gz NVUASFLXDSLMEI-HNNXBMFYSA-N 0 3 288.391 2.221 20 30 CEEDHN CN(C)Cc1ccccc1Nc1ccnc(C#N)c1 ZINC001173928798 815861702 /nfs/dbraw/zinc/86/17/02/815861702.db2.gz DXYFVYNUMZNKSO-UHFFFAOYSA-N 0 3 252.321 2.180 20 30 CEEDHN CC#CCNCCNC(=O)CCCc1sccc1C ZINC001149230946 815915477 /nfs/dbraw/zinc/91/54/77/815915477.db2.gz MOHDLXQWVPZWPO-UHFFFAOYSA-N 0 3 278.421 2.108 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)CCc2ccc(C)cc2)C1 ZINC001276397098 815955110 /nfs/dbraw/zinc/95/51/10/815955110.db2.gz NQKLNLYTNDTLBF-MRXNPFEDSA-N 0 3 298.430 2.387 20 30 CEEDHN N#Cc1cccc2c(CN3CCN(C4CC4)CC3)c[nH]c21 ZINC001139701759 816089006 /nfs/dbraw/zinc/08/90/06/816089006.db2.gz PEUTXBCKEHCNNL-UHFFFAOYSA-N 0 3 280.375 2.320 20 30 CEEDHN C=CCn1cc(CN2CC[C@H]3OCCC[C@H]3C2)cn1 ZINC001139765734 816109932 /nfs/dbraw/zinc/10/99/32/816109932.db2.gz FCVQRFLPMUOBDB-LSDHHAIUSA-N 0 3 261.369 2.070 20 30 CEEDHN C=CCn1cc(CN2CCC3(CCOC3)CC2)cn1 ZINC001139765388 816110774 /nfs/dbraw/zinc/11/07/74/816110774.db2.gz CCGFWXHDTZABPW-UHFFFAOYSA-N 0 3 261.369 2.072 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CCC[C@H](OC)C1 ZINC001139874195 816132321 /nfs/dbraw/zinc/13/23/21/816132321.db2.gz QIRYNMKOTYCYMD-GJZGRUSLSA-N 0 3 282.428 2.158 20 30 CEEDHN CN(CCN1CCC(S)CC1)C(=O)OC(C)(C)C ZINC001202997744 816185068 /nfs/dbraw/zinc/18/50/68/816185068.db2.gz PKOKQDIJRKXSKQ-UHFFFAOYSA-N 0 3 274.430 2.248 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)CCc1c(C)noc1C ZINC001175745249 816274653 /nfs/dbraw/zinc/27/46/53/816274653.db2.gz RKCPKNZPYCFWAA-UHFFFAOYSA-N 0 3 299.802 2.072 20 30 CEEDHN C=CCN1CC[C@]2(CCCN(Cc3cc[nH]c3)C2)C1=O ZINC001140706045 816327418 /nfs/dbraw/zinc/32/74/18/816327418.db2.gz ALWDINVEUDZJCN-INIZCTEOSA-N 0 3 273.380 2.015 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC001176669174 816452774 /nfs/dbraw/zinc/45/27/74/816452774.db2.gz XQMQNYKAQWIZHZ-OLZOCXBDSA-N 0 3 288.819 2.183 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCOC(C)C)C2 ZINC001110197030 816475126 /nfs/dbraw/zinc/47/51/26/816475126.db2.gz HEJWHXDQQHCUFJ-PMPSAXMXSA-N 0 3 294.439 2.489 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)C[C@@H]1CCCO1 ZINC001177231083 816534209 /nfs/dbraw/zinc/53/42/09/816534209.db2.gz ZUZRNHUHZGPOJU-AAEUAGOBSA-N 0 3 288.819 2.040 20 30 CEEDHN CCN(Cc1ccc(C#N)c(SC)n1)CC(C)(C)O ZINC001141944156 816601835 /nfs/dbraw/zinc/60/18/35/816601835.db2.gz ZXEYNRFPMIDNPG-UHFFFAOYSA-N 0 3 279.409 2.268 20 30 CEEDHN Cn1cc2c(cccc2CN2CCC3SC(=O)C=C3C2)n1 ZINC001142448809 816668995 /nfs/dbraw/zinc/66/89/95/816668995.db2.gz KGGWRUADRNQXFV-HNNXBMFYSA-N 0 3 299.399 2.347 20 30 CEEDHN C[C@H](CNC(=O)Nc1ccc(C#N)cc1Cl)N(C)C ZINC000269136993 190471590 /nfs/dbraw/zinc/47/15/90/190471590.db2.gz MYQHLODQKLMWRA-SECBINFHSA-N 0 3 280.759 2.283 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000336245122 365533499 /nfs/dbraw/zinc/53/34/99/365533499.db2.gz GLSYBCFSMZOGOU-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(CCCO)CC1 ZINC000273037194 192027564 /nfs/dbraw/zinc/02/75/64/192027564.db2.gz VWTVJTNCXVSCBR-OAHLLOKOSA-N 0 3 294.439 2.060 20 30 CEEDHN N#CC1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCC1 ZINC000121408919 365564418 /nfs/dbraw/zinc/56/44/18/365564418.db2.gz OHCLLWNGKMFODX-INIZCTEOSA-N 0 3 297.402 2.461 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])CCN1C ZINC000124838574 187157467 /nfs/dbraw/zinc/15/74/67/187157467.db2.gz OQHRNDRMGCDIME-PWSUYJOCSA-N 0 3 274.324 2.361 20 30 CEEDHN C[C@@H](CN(C)C)Nc1nc(C(F)(F)F)ccc1C#N ZINC000127798630 187334196 /nfs/dbraw/zinc/33/41/96/187334196.db2.gz DOJRQBRNMSBROC-QMMMGPOBSA-N 0 3 272.274 2.334 20 30 CEEDHN C=CCC(C)(C)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000336536630 365613409 /nfs/dbraw/zinc/61/34/09/365613409.db2.gz PXKSTRKDHWVRQF-OAHLLOKOSA-N 0 3 250.386 2.143 20 30 CEEDHN C#CCOc1ccc(CN(C)CCn2cccn2)cc1 ZINC000125294902 187178201 /nfs/dbraw/zinc/17/82/01/187178201.db2.gz GEKBWECUUQOOEJ-UHFFFAOYSA-N 0 3 269.348 2.027 20 30 CEEDHN CN(C)C1(CN(C)C(=O)c2ccccc2CC#N)CCC1 ZINC000601517142 346845570 /nfs/dbraw/zinc/84/55/70/346845570.db2.gz RTLGOAGPHQBRDH-UHFFFAOYSA-N 0 3 285.391 2.309 20 30 CEEDHN C=C(C)COCCNCc1cc(OC)c2c(c1)OCCO2 ZINC000125813952 365688038 /nfs/dbraw/zinc/68/80/38/365688038.db2.gz JWVUAGWVRCUSEN-UHFFFAOYSA-N 0 3 293.363 2.149 20 30 CEEDHN CCC[C@@H](CCO)NC(=O)C(C#N)CCc1ccccc1 ZINC000601713324 346886426 /nfs/dbraw/zinc/88/64/26/346886426.db2.gz PAAGFBJHGAQSCJ-HOTGVXAUSA-N 0 3 288.391 2.426 20 30 CEEDHN C[C@@H]1C[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])CCN1C ZINC000125953839 187207272 /nfs/dbraw/zinc/20/72/72/187207272.db2.gz SFSMRMYSMFJUAG-ZYHUDNBSSA-N 0 3 274.324 2.361 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000601811663 346905845 /nfs/dbraw/zinc/90/58/45/346905845.db2.gz WLMZXNPXHMEXPA-RQJABVFESA-N 0 3 263.385 2.010 20 30 CEEDHN O=C(N[C@@H]1CCCC[C@@H]1O)[C@H](C1CC1)N1CCCC1 ZINC000329785003 539249918 /nfs/dbraw/zinc/24/99/18/539249918.db2.gz PSKTXNJSVSPWKZ-RDBSUJKOSA-N 0 3 266.385 2.121 20 30 CEEDHN Cc1ccc(CN2CC[C@H](NC(=O)[C@H](C)CC#N)C2)cc1 ZINC000601884560 346922225 /nfs/dbraw/zinc/92/22/25/346922225.db2.gz ZNCRPFCQGOXFOU-ZBFHGGJFSA-N 0 3 285.391 2.235 20 30 CEEDHN CCN(CCOc1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC000042308839 362081395 /nfs/dbraw/zinc/08/13/95/362081395.db2.gz AKPFAXKZJFKCSP-MRXNPFEDSA-N 0 3 274.364 2.438 20 30 CEEDHN CCN1CCC(N(C)C(=O)c2cccc(C#N)c2)CC1 ZINC000043064187 362135050 /nfs/dbraw/zinc/13/50/50/362135050.db2.gz IPWXNYAPGRJTNH-UHFFFAOYSA-N 0 3 271.364 2.115 20 30 CEEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)COc1ccccc1 ZINC000027208119 343391984 /nfs/dbraw/zinc/39/19/84/343391984.db2.gz VSPXASLCARNBGS-KRWDZBQOSA-N 0 3 296.370 2.430 20 30 CEEDHN C[C@@H](Cn1cccn1)NCc1ccc(N(C)CCC#N)cc1 ZINC000030904389 343406351 /nfs/dbraw/zinc/40/63/51/343406351.db2.gz RCWXTKZFWRBXOA-HNNXBMFYSA-N 0 3 297.406 2.411 20 30 CEEDHN CC(C)(C#N)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000042127709 343448158 /nfs/dbraw/zinc/44/81/58/343448158.db2.gz CRZHIGKUDLDLIN-OAHLLOKOSA-N 0 3 285.391 2.489 20 30 CEEDHN N#Cc1cccc(CN2CCN(C3CCC3)CC2)c1F ZINC000336630816 365744134 /nfs/dbraw/zinc/74/41/34/365744134.db2.gz LJWRKRGXLCKHDU-UHFFFAOYSA-N 0 3 273.355 2.367 20 30 CEEDHN N#CC1(C[C@H](O)CN2CC(C3CCCC3)C2)CCOCC1 ZINC000601960796 346943572 /nfs/dbraw/zinc/94/35/72/346943572.db2.gz ZFLHGYJZCILLTC-INIZCTEOSA-N 0 3 292.423 2.180 20 30 CEEDHN CC1CCN(CCNC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000043228915 343462054 /nfs/dbraw/zinc/46/20/54/343462054.db2.gz RHCLTCOASGWSHU-UHFFFAOYSA-N 0 3 286.379 2.412 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CNCc1cccc(F)c1F ZINC000601967528 346945177 /nfs/dbraw/zinc/94/51/77/346945177.db2.gz GXHNINMKWVQKON-NSHDSACASA-N 0 3 268.307 2.355 20 30 CEEDHN CCc1nc(C)c(CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)o1 ZINC000330186496 529721484 /nfs/dbraw/zinc/72/14/84/529721484.db2.gz JVBRYLVWTGOKOX-ZYHUDNBSSA-N 0 3 294.399 2.032 20 30 CEEDHN CCCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1CC1 ZINC000052890867 343567877 /nfs/dbraw/zinc/56/78/77/343567877.db2.gz BJAYVYARBROOJS-OAHLLOKOSA-N 0 3 265.401 2.163 20 30 CEEDHN C=CCOc1cccc(NC(=O)N[C@H]2CCCN(C)C2)c1 ZINC000056752738 343619705 /nfs/dbraw/zinc/61/97/05/343619705.db2.gz AWGSZKHEPWTURJ-AWEZNQCLSA-N 0 3 289.379 2.467 20 30 CEEDHN C[C@H](N(C)Cc1ccc(C#N)cc1F)C(C)(C)O ZINC000295056736 199322894 /nfs/dbraw/zinc/32/28/94/199322894.db2.gz BOSRBDDEUUABBJ-JTQLQIEISA-N 0 3 250.317 2.289 20 30 CEEDHN N#Cc1cccc(C(=O)N2CCC[C@H](N3CCCC3)C2)c1 ZINC000058920033 343650256 /nfs/dbraw/zinc/65/02/56/343650256.db2.gz IRFVGCPEHHFRIQ-INIZCTEOSA-N 0 3 283.375 2.259 20 30 CEEDHN C#CCNC(=O)CCNCc1c(OC)ccc2ccccc21 ZINC000064615591 343692198 /nfs/dbraw/zinc/69/21/98/343692198.db2.gz LIRVLWHMLHKZAZ-UHFFFAOYSA-N 0 3 296.370 2.078 20 30 CEEDHN C=CCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000065467279 343698663 /nfs/dbraw/zinc/69/86/63/343698663.db2.gz URAGZOAJRLLAFM-CQSZACIVSA-N 0 3 261.369 2.083 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NCCN(C)Cc1ccccc1 ZINC000066320829 343711029 /nfs/dbraw/zinc/71/10/29/343711029.db2.gz PHOYQOOLMJHQMC-OAHLLOKOSA-N 0 3 290.407 2.216 20 30 CEEDHN C=CCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000068997988 343778355 /nfs/dbraw/zinc/77/83/55/343778355.db2.gz FLEMCAFPVZYARW-UHFFFAOYSA-N 0 3 287.407 2.133 20 30 CEEDHN N#Cc1c(F)cccc1CNCC1CCC(O)CC1 ZINC000602026718 346964467 /nfs/dbraw/zinc/96/44/67/346964467.db2.gz CFJAREQKTFNKOD-UHFFFAOYSA-N 0 3 262.328 2.338 20 30 CEEDHN CN(C)[C@H](CNC(=O)C1(C#N)CCCC1)c1ccccc1 ZINC000069179392 343782737 /nfs/dbraw/zinc/78/27/37/343782737.db2.gz JPVFXOQGAKSFBX-OAHLLOKOSA-N 0 3 285.391 2.489 20 30 CEEDHN CC(C)(C#N)CNC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000602286182 347004487 /nfs/dbraw/zinc/00/44/87/347004487.db2.gz GTKRAVXMLHHGOP-AWEZNQCLSA-N 0 3 292.427 2.242 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@H](C)[C@@H](C)C1 ZINC000076111339 343880709 /nfs/dbraw/zinc/88/07/09/343880709.db2.gz NPYCWLJFFRMILF-IHRRRGAJSA-N 0 3 250.386 2.163 20 30 CEEDHN C[C@H](CNC(=O)CCc1ccc(C#N)cc1)N(C)C1CC1 ZINC000075577864 343858046 /nfs/dbraw/zinc/85/80/46/343858046.db2.gz LVLMEJXBWVOIBZ-CYBMUJFWSA-N 0 3 285.391 2.090 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2cccc3c2OCO3)nc(C)n1 ZINC000077432485 343920272 /nfs/dbraw/zinc/92/02/72/343920272.db2.gz WOLGIDBHDNDEJF-LBPRGKRZSA-N 0 3 295.298 2.312 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CC1CC1 ZINC000048580027 362287158 /nfs/dbraw/zinc/28/71/58/362287158.db2.gz DAAGALKNZWTVRV-LBPRGKRZSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@H](CCC#N)CN1CCN(Cc2ccccn2)CC1 ZINC000602430397 347029198 /nfs/dbraw/zinc/02/91/98/347029198.db2.gz LPQQLNVWUJCDSX-OAHLLOKOSA-N 0 3 272.396 2.139 20 30 CEEDHN Cc1nnc(N2C[C@H](N3CCCC3)C[C@H]2C)c(C#N)c1C ZINC000286400405 282328903 /nfs/dbraw/zinc/32/89/03/282328903.db2.gz PNVOUONUZQFORM-BXUZGUMPSA-N 0 3 285.395 2.028 20 30 CEEDHN C[C@@H](CCC#N)CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000602442224 347034535 /nfs/dbraw/zinc/03/45/35/347034535.db2.gz VOMIWHKBONFPIT-AWEZNQCLSA-N 0 3 283.379 2.015 20 30 CEEDHN N#Cc1ccccc1N1CCN(CCC[C@@H]2CCO2)CC1 ZINC000602439082 347033109 /nfs/dbraw/zinc/03/31/09/347033109.db2.gz XMMOFMVQAXBDJT-MRXNPFEDSA-N 0 3 285.391 2.249 20 30 CEEDHN N#CCc1ccc(NC(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000108499242 344265694 /nfs/dbraw/zinc/26/56/94/344265694.db2.gz ZFUMCDZAXDBTIE-INIZCTEOSA-N 0 3 298.390 2.358 20 30 CEEDHN N#Cc1cccc(CNC(=O)[C@H](C2CC2)N2CCCC2)c1 ZINC000123245190 344309844 /nfs/dbraw/zinc/30/98/44/344309844.db2.gz HJQAQFJQXQRSLO-INIZCTEOSA-N 0 3 283.375 2.049 20 30 CEEDHN C[C@H](CCC#N)CN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000602475661 347050030 /nfs/dbraw/zinc/05/00/30/347050030.db2.gz QFGYLGMXAFLRDI-OUAUKWLOSA-N 0 3 264.291 2.314 20 30 CEEDHN COc1ccc(CN2CC[C@@]3(CCOC3)C2)cc1C#N ZINC000135143980 344380239 /nfs/dbraw/zinc/38/02/39/344380239.db2.gz KMTJEWDRBYMURK-MRXNPFEDSA-N 0 3 272.348 2.179 20 30 CEEDHN C=CCCCN(C)C(=O)[C@H]1CNCc2ccccc21 ZINC000135975401 344383599 /nfs/dbraw/zinc/38/35/99/344383599.db2.gz MGHQSLCQPKIWCG-HNNXBMFYSA-N 0 3 258.365 2.298 20 30 CEEDHN COc1cc2c(cc1OC)CCN(CCCC#N)CC2 ZINC000138740960 344390819 /nfs/dbraw/zinc/39/08/19/344390819.db2.gz DSXOTVLUDIFYGL-UHFFFAOYSA-N 0 3 274.364 2.408 20 30 CEEDHN N#Cc1cccc(S(=O)(=O)CCNCC2CCCC2)c1 ZINC000158820566 344452620 /nfs/dbraw/zinc/45/26/20/344452620.db2.gz ZBUCLJUIWMFTNJ-UHFFFAOYSA-N 0 3 292.404 2.112 20 30 CEEDHN CN1CCN(Cc2cccc(C#N)c2F)CC1(C)C ZINC000221983507 344539825 /nfs/dbraw/zinc/53/98/25/344539825.db2.gz XHFPRXVFQWCYIY-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)CNC1CC1 ZINC000236658655 344597398 /nfs/dbraw/zinc/59/73/98/344597398.db2.gz RCCAADLNTWWAEO-UHFFFAOYSA-N 0 3 250.367 2.015 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@@H](CO)C[C@@H](O)c2ccccc2)C1 ZINC000278791579 344672369 /nfs/dbraw/zinc/67/23/69/344672369.db2.gz QJOMOKWPXLRXCQ-XLNGHYISSA-N 0 3 288.391 2.143 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@H](CO)C[C@@H](O)c2ccccc2)C1 ZINC000278791576 344672448 /nfs/dbraw/zinc/67/24/48/344672448.db2.gz QJOMOKWPXLRXCQ-BSWAZPDLSA-N 0 3 288.391 2.143 20 30 CEEDHN COc1cccc(NC(=O)[C@H](N)CCCCC#N)c1C ZINC000602537287 347069681 /nfs/dbraw/zinc/06/96/81/347069681.db2.gz CQRCRWZUIKVTID-GFCCVEGCSA-N 0 3 275.352 2.353 20 30 CEEDHN C=C[C@H](CO)N[C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000294287880 344693922 /nfs/dbraw/zinc/69/39/22/344693922.db2.gz MRAFMDSGLXDTJA-KGLIPLIRSA-N 0 3 263.337 2.061 20 30 CEEDHN C[C@@H](CN1CCC[C@H](C)C1)NCc1cccc(C#N)n1 ZINC000602523795 347066244 /nfs/dbraw/zinc/06/62/44/347066244.db2.gz IFEDQJLPQVSAAI-KBPBESRZSA-N 0 3 272.396 2.163 20 30 CEEDHN C[C@H](CCC#N)C[NH2+]CCCNC(=O)c1cccc([O-])c1 ZINC000602526309 347066874 /nfs/dbraw/zinc/06/68/74/347066874.db2.gz IZKZSERLDKEWEA-CYBMUJFWSA-N 0 3 289.379 2.042 20 30 CEEDHN C[C@H](c1ccccc1)[C@@H](CO)NCc1cccc(C#N)n1 ZINC000602546918 347071934 /nfs/dbraw/zinc/07/19/34/347071934.db2.gz MSQYTRJEITYLBG-CXAGYDPISA-N 0 3 281.359 2.207 20 30 CEEDHN CC(C#N)C(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000334588985 344763642 /nfs/dbraw/zinc/76/36/42/344763642.db2.gz WAHQUOGBTLAEJJ-NSHDSACASA-N 0 3 298.346 2.065 20 30 CEEDHN CC(C)CC[C@](C)(O)CNCc1cccc(C#N)n1 ZINC000602554542 347074766 /nfs/dbraw/zinc/07/47/66/347074766.db2.gz AZHGNUJCUWDRRA-HNNXBMFYSA-N 0 3 261.369 2.230 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398151565 344853939 /nfs/dbraw/zinc/85/39/39/344853939.db2.gz GWCXAEAJTVDCHZ-FVQBIDKESA-N 0 3 285.391 2.315 20 30 CEEDHN CC(=O)Nc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424208606 344897607 /nfs/dbraw/zinc/89/76/07/344897607.db2.gz YESCQXCMEHHRFV-GXTWGEPZSA-N 0 3 257.337 2.427 20 30 CEEDHN CN(C)CCc1ccccc1NC(=O)NCC1(C#N)CC1 ZINC000555766711 344935827 /nfs/dbraw/zinc/93/58/27/344935827.db2.gz JOCMCIKRUPXLNY-UHFFFAOYSA-N 0 3 286.379 2.216 20 30 CEEDHN C#CC(C)(C)N(C)CCC(=O)Nc1cc(N)ccc1F ZINC000491781991 344914363 /nfs/dbraw/zinc/91/43/63/344914363.db2.gz LQGXTEFVIGEOGZ-UHFFFAOYSA-N 0 3 277.343 2.080 20 30 CEEDHN C=CCCCCNCCS(=O)(=O)c1ccccc1 ZINC000564873372 344941918 /nfs/dbraw/zinc/94/19/18/344941918.db2.gz NIJUNVZVGYFGIH-UHFFFAOYSA-N 0 3 267.394 2.406 20 30 CEEDHN CCN(C)CCNc1nc2c(cc1C#N)CCCC2 ZINC000054127908 362513266 /nfs/dbraw/zinc/51/32/66/362513266.db2.gz KFXMHDSUNAPIMR-UHFFFAOYSA-N 0 3 258.369 2.196 20 30 CEEDHN C=CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000054717916 362538078 /nfs/dbraw/zinc/53/80/78/362538078.db2.gz UYFVJJVZUWIDOE-ZFWWWQNUSA-N 0 3 273.380 2.307 20 30 CEEDHN N#CCc1cccc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000590855056 345190149 /nfs/dbraw/zinc/19/01/49/345190149.db2.gz TYWJOCFINIVITA-MRXNPFEDSA-N 0 3 298.390 2.358 20 30 CEEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CC2(C#N)CC2)C1 ZINC000590282097 345124715 /nfs/dbraw/zinc/12/47/15/345124715.db2.gz VGZYGXIKULHUSB-MRXNPFEDSA-N 0 3 297.402 2.413 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)CC2(C#N)CC2)CN1Cc1ccccc1 ZINC000590299039 345125546 /nfs/dbraw/zinc/12/55/46/345125546.db2.gz ZQVJEXAZRXDPJB-GOEBONIOSA-N 0 3 297.402 2.459 20 30 CEEDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(C#N)cc1C ZINC000590345262 345130518 /nfs/dbraw/zinc/13/05/18/345130518.db2.gz YRQVYDDNGVZYLE-HNNXBMFYSA-N 0 3 285.391 2.423 20 30 CEEDHN CS(=O)(=O)c1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000590658802 345156308 /nfs/dbraw/zinc/15/63/08/345156308.db2.gz UZZHLKFHPDRGBT-OCCSQVGLSA-N 0 3 292.404 2.262 20 30 CEEDHN C[C@@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)c1cccc(C#N)c1 ZINC000591354351 345242983 /nfs/dbraw/zinc/24/29/83/345242983.db2.gz IABYNHSIGMEODD-JHJVBQTASA-N 0 3 286.379 2.011 20 30 CEEDHN Cc1c(Cl)cnc(N2C[C@H](C)NC[C@H]2C)c1C#N ZINC000591433938 345252282 /nfs/dbraw/zinc/25/22/82/345252282.db2.gz RARZOPBKVIZLCT-DTWKUNHWSA-N 0 3 264.760 2.102 20 30 CEEDHN N#Cc1cnccc1CN[C@@H]1CCCC12CCOCC2 ZINC000592120387 345324529 /nfs/dbraw/zinc/32/45/29/345324529.db2.gz GRSPMAGQLMPCTK-OAHLLOKOSA-N 0 3 271.364 2.392 20 30 CEEDHN CC[C@H](NC(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000591610390 345268720 /nfs/dbraw/zinc/26/87/20/345268720.db2.gz DGHLOUXEHVFQCG-KBPBESRZSA-N 0 3 265.401 2.483 20 30 CEEDHN C[C@@H]1c2ccccc2CN1C(=O)[C@H](N)CCCC#N ZINC000591615171 345269725 /nfs/dbraw/zinc/26/97/25/345269725.db2.gz XADLLRNQYSTZPO-BXUZGUMPSA-N 0 3 257.337 2.111 20 30 CEEDHN N#Cc1cnccc1CN[C@H](CCO)C1CCCCC1 ZINC000592098980 345322162 /nfs/dbraw/zinc/32/21/62/345322162.db2.gz PJUFUXXVHBRUIL-MRXNPFEDSA-N 0 3 273.380 2.374 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCn1ccccc1=O ZINC000591852973 345288283 /nfs/dbraw/zinc/28/82/83/345288283.db2.gz IUCJUGJRBVFCQM-AWEZNQCLSA-N 0 3 281.359 2.413 20 30 CEEDHN C=CCSCCNCc1ccnn1-c1ccccn1 ZINC000592363214 345346271 /nfs/dbraw/zinc/34/62/71/345346271.db2.gz MFBZGNZHODDRJU-UHFFFAOYSA-N 0 3 274.393 2.276 20 30 CEEDHN CC[C@@H](C)C[C@H](CO)NCc1cnc2ccc(C#N)cn12 ZINC000592374361 345346835 /nfs/dbraw/zinc/34/68/35/345346835.db2.gz BXJDYTHDTCOLBZ-TZMCWYRMSA-N 0 3 286.379 2.093 20 30 CEEDHN N#Cc1cc(CN2CCC[C@H]2[C@@H]2CCCOC2)ccn1 ZINC000592134993 345327408 /nfs/dbraw/zinc/32/74/08/345327408.db2.gz YMNBXCUURKFARA-ZBFHGGJFSA-N 0 3 271.364 2.344 20 30 CEEDHN Cc1cc(C)cc(OCCCN2CC[C@@](O)(CC#N)C2)c1 ZINC000592147364 345329376 /nfs/dbraw/zinc/32/93/76/345329376.db2.gz KOBSOCOHMNHQPW-KRWDZBQOSA-N 0 3 288.391 2.423 20 30 CEEDHN N#CC[C@@]1(O)CCN(CCC2(C#N)CCCCC2)C1 ZINC000592152955 345330887 /nfs/dbraw/zinc/33/08/87/345330887.db2.gz GUUQJTHNROVDDH-OAHLLOKOSA-N 0 3 261.369 2.201 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)NCC1(C#N)CCCC1 ZINC000592998531 345420478 /nfs/dbraw/zinc/42/04/78/345420478.db2.gz BMWBYUCSEWNMOQ-CQSZACIVSA-N 0 3 292.427 2.244 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)CCN1CCCCC1 ZINC000593113021 345441751 /nfs/dbraw/zinc/44/17/51/345441751.db2.gz VNZXMEZGGHXKKA-UHFFFAOYSA-N 0 3 287.407 2.485 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](C#N)CC)C(C)C ZINC000593464064 345492069 /nfs/dbraw/zinc/49/20/69/345492069.db2.gz ICCYOZYCHYKUED-LSDHHAIUSA-N 0 3 277.412 2.351 20 30 CEEDHN CCC(C#N)C(=O)NC1(C(=O)OC(C)(C)C)CCCC1 ZINC000593482871 345495322 /nfs/dbraw/zinc/49/53/22/345495322.db2.gz UDVLWCJYBOGZCT-LLVKDONJSA-N 0 3 280.368 2.307 20 30 CEEDHN CCC(C#N)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)OC ZINC000593568549 345507888 /nfs/dbraw/zinc/50/78/88/345507888.db2.gz JDQFAKHYPRGGMU-GXTWGEPZSA-N 0 3 288.347 2.126 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)NCC1(C#N)CCCC1 ZINC000593373607 345473007 /nfs/dbraw/zinc/47/30/07/345473007.db2.gz GVQSBJLTCDRGFF-AWEZNQCLSA-N 0 3 292.427 2.244 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC1(C#N)CCCC1 ZINC000593429322 345483887 /nfs/dbraw/zinc/48/38/87/345483887.db2.gz DPDHGWQASHTQRY-KGLIPLIRSA-N 0 3 292.427 2.052 20 30 CEEDHN CC[C@@H](C#N)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000593443640 345487626 /nfs/dbraw/zinc/48/76/26/345487626.db2.gz PPJPMQSVUJTNJF-LBPRGKRZSA-N 0 3 275.352 2.115 20 30 CEEDHN C[C@H](c1ccccc1)[C@H](CO)NCc1ccc(C#N)cn1 ZINC000593974415 345558883 /nfs/dbraw/zinc/55/88/83/345558883.db2.gz YRZLNISKCZFLJZ-DYVFJYSZSA-N 0 3 281.359 2.207 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)CCCCC#N)CCN1C ZINC000593984396 345560419 /nfs/dbraw/zinc/56/04/19/345560419.db2.gz WIAMRQNEDZOUSC-STQMWFEESA-N 0 3 251.374 2.011 20 30 CEEDHN N#Cc1cc(CN2CC[C@@H](c3ccncc3)C2)ccn1 ZINC000593987954 345560905 /nfs/dbraw/zinc/56/09/05/345560905.db2.gz YYUDERVHQNWYGV-OAHLLOKOSA-N 0 3 264.332 2.338 20 30 CEEDHN Cn1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1=O ZINC000594033024 345569972 /nfs/dbraw/zinc/56/99/72/345569972.db2.gz VXDPNTVQNHBJKZ-UHFFFAOYSA-N 0 3 293.370 2.426 20 30 CEEDHN CCOC(=O)CCN(Cc1ccnc(C#N)c1)C(C)C ZINC000594054601 345575289 /nfs/dbraw/zinc/57/52/89/345575289.db2.gz SEJWMIARJNPNSY-UHFFFAOYSA-N 0 3 275.352 2.117 20 30 CEEDHN CCC[C@]1(C(=O)OCC)CCCN1C(=O)C(C#N)CC ZINC000593656602 345517226 /nfs/dbraw/zinc/51/72/26/345517226.db2.gz HABDZIQIIBJGFY-IUODEOHRSA-N 0 3 280.368 2.261 20 30 CEEDHN N#CCCCCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594196707 345596643 /nfs/dbraw/zinc/59/66/43/345596643.db2.gz LRTKBRPUZYXOLT-KGLIPLIRSA-N 0 3 263.385 2.203 20 30 CEEDHN CC(C)(CC#N)CNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594256801 345605689 /nfs/dbraw/zinc/60/56/89/345605689.db2.gz WLTXNYGMAGWVNA-UONOGXRCSA-N 0 3 292.427 2.242 20 30 CEEDHN CN(C)C[C@H]1CCCCN1C(=O)CCCCC#N ZINC000594280036 345607610 /nfs/dbraw/zinc/60/76/10/345607610.db2.gz JITSNFRRVAEMQI-CYBMUJFWSA-N 0 3 251.374 2.013 20 30 CEEDHN C[C@H](NC(=O)CN1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000594303848 345610260 /nfs/dbraw/zinc/61/02/60/345610260.db2.gz JYDQJDPXABGDAP-OLZOCXBDSA-N 0 3 271.364 2.077 20 30 CEEDHN CC(C)(C#N)c1ccc(CN[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000594497130 345638066 /nfs/dbraw/zinc/63/80/66/345638066.db2.gz CEOYNWDRLAEFFA-HNNXBMFYSA-N 0 3 297.402 2.341 20 30 CEEDHN CN1CCC[C@H](NCc2ccc(C(C)(C)C#N)cc2)C1=O ZINC000594497020 345638241 /nfs/dbraw/zinc/63/82/41/345638241.db2.gz ASHAPKIFCYSBMF-HNNXBMFYSA-N 0 3 285.391 2.198 20 30 CEEDHN CC(C)CCn1nccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594425808 345625776 /nfs/dbraw/zinc/62/57/76/345625776.db2.gz AMRDZBMKGOGSEW-ZDUSSCGKSA-N 0 3 291.399 2.279 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCc1cccc(Cl)c1 ZINC000594424595 345625957 /nfs/dbraw/zinc/62/59/57/345625957.db2.gz GOZPJTBPAKJATE-ZDUSSCGKSA-N 0 3 279.771 2.367 20 30 CEEDHN C[C@H](C1CC1)n1nccc1NC(=O)[C@H](N)CCCCC#N ZINC000594424637 345626015 /nfs/dbraw/zinc/62/60/15/345626015.db2.gz CGKHHYLNMSNXET-DGCLKSJQSA-N 0 3 289.383 2.204 20 30 CEEDHN Cc1cccc(CN(C)C(=O)[C@H](N)CCCCC#N)c1 ZINC000594428807 345627381 /nfs/dbraw/zinc/62/73/81/345627381.db2.gz OVWNEROVFGBIDC-OAHLLOKOSA-N 0 3 273.380 2.365 20 30 CEEDHN CC(C)(NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594428819 345627581 /nfs/dbraw/zinc/62/75/81/345627581.db2.gz NLMKRNZIRHAFKW-CQSZACIVSA-N 0 3 273.380 2.449 20 30 CEEDHN CC(C)[C@@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC000594429110 345627651 /nfs/dbraw/zinc/62/76/51/345627651.db2.gz QVJWLTGPSMGQMX-OLZOCXBDSA-N 0 3 251.374 2.045 20 30 CEEDHN CCN(C(=O)[C@@H](N)CCCCC#N)c1cccc(OC)c1 ZINC000594429664 345627668 /nfs/dbraw/zinc/62/76/68/345627668.db2.gz VHCLHEVNTQFPTH-HNNXBMFYSA-N 0 3 289.379 2.459 20 30 CEEDHN C[C@H](C1CC1)N(C(=O)[C@@H](N)CCCCC#N)C1CC1 ZINC000594429619 345627675 /nfs/dbraw/zinc/62/76/75/345627675.db2.gz UWBPUWWDIAYXIZ-RISCZKNCSA-N 0 3 263.385 2.187 20 30 CEEDHN CC(C)(C)c1nnc(NC(=O)[C@@H](N)CCCCC#N)s1 ZINC000594429506 345628083 /nfs/dbraw/zinc/62/80/83/345628083.db2.gz QSFGMSKMLKBIQZ-VIFPVBQESA-N 0 3 295.412 2.185 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000594431682 345628524 /nfs/dbraw/zinc/62/85/24/345628524.db2.gz PRNVVKGDUYTGOY-ILXRZTDVSA-N 0 3 289.354 2.209 20 30 CEEDHN C[C@@H]1CCCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594434091 345629006 /nfs/dbraw/zinc/62/90/06/345629006.db2.gz KNRRYYNJZYQYKD-OLZOCXBDSA-N 0 3 251.374 2.189 20 30 CEEDHN CC(C)N(C(=O)[C@@H](N)CCCCC#N)C1CCC1 ZINC000594434144 345629396 /nfs/dbraw/zinc/62/93/96/345629396.db2.gz WTJUFPUZPUCWJP-ZDUSSCGKSA-N 0 3 251.374 2.187 20 30 CEEDHN CCO[C@@H]1C[C@H](N(C)C(=O)[C@H](N)CCCCC#N)C1(C)C ZINC000594434209 345629411 /nfs/dbraw/zinc/62/94/11/345629411.db2.gz XUNITJLJINQZGG-HZSPNIEDSA-N 0 3 295.427 2.060 20 30 CEEDHN CCCc1cnc(NC(=O)[C@H](N)CCCCC#N)s1 ZINC000594437479 345630597 /nfs/dbraw/zinc/63/05/97/345630597.db2.gz NSFWGSYBEKHLGD-LLVKDONJSA-N 0 3 280.397 2.445 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000594440333 345631509 /nfs/dbraw/zinc/63/15/09/345631509.db2.gz XHZOTKIKCISIKY-CQSZACIVSA-N 0 3 287.363 2.361 20 30 CEEDHN N#CCCCCC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000594443328 345631741 /nfs/dbraw/zinc/63/17/41/345631741.db2.gz DBJVYOARJMRVFP-UHFFFAOYSA-N 0 3 275.327 2.494 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)[C@@H](N)CCCCC#N)C[C@@H](C)C1 ZINC000594447636 345633319 /nfs/dbraw/zinc/63/33/19/345633319.db2.gz UMERIUBDVRLZEF-DGAVXFQQSA-N 0 3 265.401 2.339 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594447677 345633501 /nfs/dbraw/zinc/63/35/01/345633501.db2.gz VEGVUDJERPVWHC-MGPQQGTHSA-N 0 3 265.401 2.435 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000594449287 345633696 /nfs/dbraw/zinc/63/36/96/345633696.db2.gz FBWOPGSUAFLJQW-WUCCLRPBSA-N 0 3 277.412 2.340 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000594449303 345633828 /nfs/dbraw/zinc/63/38/28/345633828.db2.gz FXWLIEZIOXPZEA-BZUAXINKSA-N 0 3 285.391 2.318 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCC1CCC(F)CC1 ZINC000594449838 345633897 /nfs/dbraw/zinc/63/38/97/345633897.db2.gz OTEWKYCUQRUUIE-WXRRBKDZSA-N 0 3 269.364 2.042 20 30 CEEDHN C=CCSCCNCc1cc(C(=O)OC)oc1C ZINC000594617857 345663668 /nfs/dbraw/zinc/66/36/68/345663668.db2.gz ZKJKQAIMJATPLG-UHFFFAOYSA-N 0 3 269.366 2.383 20 30 CEEDHN C=CCOCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594504925 345639688 /nfs/dbraw/zinc/63/96/88/345639688.db2.gz OPCUIRWZUCQQGQ-CYBMUJFWSA-N 0 3 262.309 2.374 20 30 CEEDHN CCc1nncn1CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594514029 345641347 /nfs/dbraw/zinc/64/13/47/345641347.db2.gz OJBHMCSJNNTSHA-UHFFFAOYSA-N 0 3 297.406 2.431 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCCC[C@@H]1CC ZINC000058874251 362641617 /nfs/dbraw/zinc/64/16/17/362641617.db2.gz MAAAAFZBKAXHHN-AWEZNQCLSA-N 0 3 250.386 2.452 20 30 CEEDHN C=CCCSCCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000595255650 345749478 /nfs/dbraw/zinc/74/94/78/345749478.db2.gz HOMUREXBGGKCLR-AWEZNQCLSA-N 0 3 296.411 2.294 20 30 CEEDHN C=CCCSCCNC(=O)C1(N)CC2(CCC2)C1 ZINC000595257861 345750421 /nfs/dbraw/zinc/75/04/21/345750421.db2.gz ZTGSWVZZSKIGBL-UHFFFAOYSA-N 0 3 268.426 2.074 20 30 CEEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H](COC)OC ZINC000595290514 345755031 /nfs/dbraw/zinc/75/50/31/345755031.db2.gz LILYYNOLOPPFIV-INIZCTEOSA-N 0 3 276.380 2.432 20 30 CEEDHN C[C@@]1(CNCc2ccc(C3(C#N)CC3)cc2)CCC(=O)N1 ZINC000594943575 345711961 /nfs/dbraw/zinc/71/19/61/345711961.db2.gz DERHECTUUVNGPO-INIZCTEOSA-N 0 3 283.375 2.000 20 30 CEEDHN C[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2)C1 ZINC000594966485 345719127 /nfs/dbraw/zinc/71/91/27/345719127.db2.gz SIACCPCEMQTWHY-VCBZYWHSSA-N 0 3 276.405 2.338 20 30 CEEDHN CCC(=O)N1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000594980830 345721149 /nfs/dbraw/zinc/72/11/49/345721149.db2.gz BSJORXYMRJLONJ-UHFFFAOYSA-N 0 3 277.412 2.451 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@H]3[C@@H]4CCC[C@@H]43)n2c1 ZINC000594985278 345722030 /nfs/dbraw/zinc/72/20/30/345722030.db2.gz VQWKZHQUDLDVKO-NHAGDIPZSA-N 0 3 252.321 2.094 20 30 CEEDHN C[C@H](NC1CCN(CC#N)CC1)c1cc2cnccc2o1 ZINC000595018222 345727947 /nfs/dbraw/zinc/72/79/47/345727947.db2.gz MLMCGPVBUPAIMG-LBPRGKRZSA-N 0 3 284.363 2.466 20 30 CEEDHN N#Cc1ccc(OCCN[C@@H]2CCCn3nccc32)cc1 ZINC000595026285 345730216 /nfs/dbraw/zinc/73/02/16/345730216.db2.gz KGBJUIILROZJHQ-OAHLLOKOSA-N 0 3 282.347 2.258 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2cnc(C(F)(F)F)nc2)C1 ZINC000595060757 345737539 /nfs/dbraw/zinc/73/75/39/345737539.db2.gz OXKLNHFSUIQROC-WPRPVWTQSA-N 0 3 270.258 2.277 20 30 CEEDHN C[C@H](CNC(=O)N1CC[C@@](C)(C#N)C1)N1CCC(C)CC1 ZINC000595547086 345809349 /nfs/dbraw/zinc/80/93/49/345809349.db2.gz LVWRUANDQYOAJT-ZBFHGGJFSA-N 0 3 292.427 2.052 20 30 CEEDHN CC[C@@H](C)N(CC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000595592412 345819694 /nfs/dbraw/zinc/81/96/94/345819694.db2.gz DQRGVNBVKPRJAI-TZMCWYRMSA-N 0 3 253.390 2.161 20 30 CEEDHN N#Cc1ccc(CCN[C@@H](CCO)c2ccco2)cc1 ZINC000595447366 345784774 /nfs/dbraw/zinc/78/47/74/345784774.db2.gz UXRHJEPUMBFQEW-HNNXBMFYSA-N 0 3 270.332 2.407 20 30 CEEDHN C[C@@H]1CN(C2CCOCC2)CCN1[C@@H](C#N)c1ccccc1 ZINC000595481060 345792584 /nfs/dbraw/zinc/79/25/84/345792584.db2.gz NPMHIMTXFRBMOA-QAPCUYQASA-N 0 3 299.418 2.436 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595744376 345864087 /nfs/dbraw/zinc/86/40/87/345864087.db2.gz WUDSPKPPXBCPMO-ATCWAGBWSA-N 0 3 274.364 2.016 20 30 CEEDHN C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1C)C(=O)N(C)CCC#N ZINC000595709728 345856697 /nfs/dbraw/zinc/85/66/97/345856697.db2.gz ZDBGQQSUCQVHQX-HEHGZKQESA-N 0 3 285.391 2.065 20 30 CEEDHN COCC#CCN1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000595715626 345858678 /nfs/dbraw/zinc/85/86/78/345858678.db2.gz AWMOLOZLOAPVPZ-UHFFFAOYSA-N 0 3 295.423 2.470 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CO)C2CCC2)c(Cl)c1 ZINC000595617929 345828746 /nfs/dbraw/zinc/82/87/46/345828746.db2.gz VQNOUJDKGBIAPP-AWEZNQCLSA-N 0 3 264.756 2.462 20 30 CEEDHN N#CC[C@@H]1CCCN(CCC(=O)Nc2cccnc2)C1 ZINC000595623378 345831091 /nfs/dbraw/zinc/83/10/91/345831091.db2.gz OJVSATGNLSOQES-ZDUSSCGKSA-N 0 3 272.352 2.036 20 30 CEEDHN N#Cc1ccccc1CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595634036 345833744 /nfs/dbraw/zinc/83/37/44/345833744.db2.gz UNCYWIKRTHMBSR-OWCLPIDISA-N 0 3 256.349 2.151 20 30 CEEDHN CC(C)(NCc1ccnc(N)c1)c1cccc(C#N)c1 ZINC000595639520 345834132 /nfs/dbraw/zinc/83/41/32/345834132.db2.gz LLVHADWMTVIOBT-UHFFFAOYSA-N 0 3 266.348 2.391 20 30 CEEDHN CC(C)(NCCn1cc([N+](=O)[O-])cn1)c1cccc(C#N)c1 ZINC000595640634 345835110 /nfs/dbraw/zinc/83/51/10/345835110.db2.gz SDUCHXLEBLAEPE-UHFFFAOYSA-N 0 3 299.334 2.188 20 30 CEEDHN C=CCN(CCC(=O)OC(C)(C)C)[C@H](C)COC ZINC000595648382 345837514 /nfs/dbraw/zinc/83/75/14/345837514.db2.gz UZPKCWZZQLPOBK-GFCCVEGCSA-N 0 3 257.374 2.241 20 30 CEEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000595660501 345840975 /nfs/dbraw/zinc/84/09/75/345840975.db2.gz SPZWUPUTKJQSCD-STQMWFEESA-N 0 3 295.427 2.287 20 30 CEEDHN N#Cc1cc(CN2CC[C@H]3COC[C@H]3C2)ccc1F ZINC000595830712 345888596 /nfs/dbraw/zinc/88/85/96/345888596.db2.gz LGWYKQBTARLBAY-GXTWGEPZSA-N 0 3 260.312 2.166 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H](C2CCC2)C1 ZINC000595838228 345894012 /nfs/dbraw/zinc/89/40/12/345894012.db2.gz UBLNCURFGPMNBP-UKRRQHHQSA-N 0 3 277.412 2.259 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC[C@@](O)(C2CC2)C1 ZINC000595749761 345865585 /nfs/dbraw/zinc/86/55/85/345865585.db2.gz HLNKNUUTVBDXRO-KRWDZBQOSA-N 0 3 286.375 2.174 20 30 CEEDHN N#Cc1ccc(F)c(CN[C@@H]2C[C@H](O)C23CCC3)c1 ZINC000595778108 345874624 /nfs/dbraw/zinc/87/46/24/345874624.db2.gz PBVRGPGFHJHAPJ-KGLIPLIRSA-N 0 3 260.312 2.090 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@]1(C)CO ZINC000595861596 345900260 /nfs/dbraw/zinc/90/02/60/345900260.db2.gz WLPODGHQPQAKCN-ZWNOBZJWSA-N 0 3 250.367 2.070 20 30 CEEDHN COc1ccc(CN2C[C@H](C)[C@](C)(CO)C2)cc1C#N ZINC000595869447 345901860 /nfs/dbraw/zinc/90/18/60/345901860.db2.gz DDKCTDDVQHPJCY-LRDDRELGSA-N 0 3 274.364 2.017 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N(C)C[C@H]1CCc2ccccc21 ZINC000595880835 345905443 /nfs/dbraw/zinc/90/54/43/345905443.db2.gz PGHJSCXHTBQLIP-GDBMZVCRSA-N 0 3 299.418 2.409 20 30 CEEDHN CN(CC(=O)NCc1ccc(C#N)cc1)C[C@H]1CC1(C)C ZINC000595912088 345912025 /nfs/dbraw/zinc/91/20/25/345912025.db2.gz INXZPCQSDZVKOH-OAHLLOKOSA-N 0 3 285.391 2.152 20 30 CEEDHN N#Cc1ccc(NCCCN2CCC(O)CC2)cc1Cl ZINC000596088126 345937283 /nfs/dbraw/zinc/93/72/83/345937283.db2.gz XQUPBLRCZDEZRE-UHFFFAOYSA-N 0 3 293.798 2.470 20 30 CEEDHN C[C@@H](N=c1[n-]c(C#N)c(Cl)s1)C(C)(C)C[NH+](C)C ZINC000596145176 345950783 /nfs/dbraw/zinc/95/07/83/345950783.db2.gz HULFYCWQEVLFTB-MRVPVSSYSA-N 0 3 286.832 2.478 20 30 CEEDHN CCN1CCCN(c2ncc(C#N)cc2F)[C@H](C)C1 ZINC000596269224 345986297 /nfs/dbraw/zinc/98/62/97/345986297.db2.gz OZDCYNCJDJQXGY-LLVKDONJSA-N 0 3 262.332 2.013 20 30 CEEDHN C=CCCSCCNC(=O)NC[C@@H]1CCCN1CC ZINC000596388960 346013064 /nfs/dbraw/zinc/01/30/64/346013064.db2.gz NDNQOCLCWIHPBV-ZDUSSCGKSA-N 0 3 285.457 2.079 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000596911458 346105162 /nfs/dbraw/zinc/10/51/62/346105162.db2.gz RJEMOCGEYRBSRB-CYBMUJFWSA-N 0 3 290.342 2.303 20 30 CEEDHN C=CCCSCCNC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000596717380 346079768 /nfs/dbraw/zinc/07/97/68/346079768.db2.gz HNZRQTABYFIGAT-UONOGXRCSA-N 0 3 297.468 2.031 20 30 CEEDHN CCN(C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CCN(C)C1 ZINC000596726423 346081396 /nfs/dbraw/zinc/08/13/96/346081396.db2.gz OMINQPJQXIWCTM-ZDUSSCGKSA-N 0 3 290.342 2.255 20 30 CEEDHN C[C@@H](CC#N)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000596730143 346081837 /nfs/dbraw/zinc/08/18/37/346081837.db2.gz SUOUSKDAJABVOE-GOEBONIOSA-N 0 3 285.391 2.489 20 30 CEEDHN C[C@@H](CC#N)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000597118090 346130553 /nfs/dbraw/zinc/13/05/53/346130553.db2.gz ZMCWXNNIDPYISP-KBPBESRZSA-N 0 3 263.385 2.013 20 30 CEEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@H](O)C1CC1 ZINC000597126929 346131416 /nfs/dbraw/zinc/13/14/16/346131416.db2.gz DLTDJANWFHSGBJ-INIZCTEOSA-N 0 3 270.376 2.444 20 30 CEEDHN C[C@H](CC#N)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000597256545 346163562 /nfs/dbraw/zinc/16/35/62/346163562.db2.gz ZKIZDIQSRCPMJH-SHARSMKWSA-N 0 3 277.412 2.259 20 30 CEEDHN C[C@H](CC#N)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000597222211 346153513 /nfs/dbraw/zinc/15/35/13/346153513.db2.gz WANYGTWASJQXHL-CYBMUJFWSA-N 0 3 289.379 2.252 20 30 CEEDHN CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1ccc(C#N)o1 ZINC000597238186 346158081 /nfs/dbraw/zinc/15/80/81/346158081.db2.gz GVVTWHLGNXLPLZ-HIFRSBDPSA-N 0 3 276.336 2.363 20 30 CEEDHN CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1ccc(C#N)o1 ZINC000597238189 346158159 /nfs/dbraw/zinc/15/81/59/346158159.db2.gz GVVTWHLGNXLPLZ-ZFWWWQNUSA-N 0 3 276.336 2.363 20 30 CEEDHN C[C@@H](CC#N)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000597399276 346181864 /nfs/dbraw/zinc/18/18/64/346181864.db2.gz OCPPVDMHIFPWGC-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)CC3(C#N)CCCCC3)[C@@H]2C1 ZINC000597483372 346192316 /nfs/dbraw/zinc/19/23/16/346192316.db2.gz DQLNJCBTBGNMFT-HUUCEWRRSA-N 0 3 289.423 2.403 20 30 CEEDHN C[C@@H](CC#N)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000597763500 346228302 /nfs/dbraw/zinc/22/83/02/346228302.db2.gz HCQAWTQBMHXBLY-LBPRGKRZSA-N 0 3 279.409 2.188 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)C1(CO)CCC1 ZINC000597854247 346238133 /nfs/dbraw/zinc/23/81/33/346238133.db2.gz YOJLTWWNAPYIBJ-GXTWGEPZSA-N 0 3 272.348 2.166 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)CCCCCC#N ZINC000597860501 346240450 /nfs/dbraw/zinc/24/04/50/346240450.db2.gz NJNMFKHZXNDRNK-CYBMUJFWSA-N 0 3 265.401 2.449 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccc(CC#N)cc2)C1 ZINC000597925529 346254352 /nfs/dbraw/zinc/25/43/52/346254352.db2.gz WQIVFCSDKYAWIX-HNNXBMFYSA-N 0 3 285.391 2.355 20 30 CEEDHN CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CCN(C)C1 ZINC000597944989 346256018 /nfs/dbraw/zinc/25/60/18/346256018.db2.gz FWNIOMIEQCNVIN-INIZCTEOSA-N 0 3 297.402 2.408 20 30 CEEDHN CCN(C(=O)c1ccc(C#N)cc1C)[C@H]1CCN(C)C1 ZINC000597945046 346256212 /nfs/dbraw/zinc/25/62/12/346256212.db2.gz GXSNITFZWRCSEJ-AWEZNQCLSA-N 0 3 271.364 2.033 20 30 CEEDHN N#CCC1CN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000598035452 346272713 /nfs/dbraw/zinc/27/27/13/346272713.db2.gz PNPSFCKYKBILDY-UHFFFAOYSA-N 0 3 297.402 2.271 20 30 CEEDHN COc1cc(CN[C@@H](C)CC(C)(C)O)ccc1C#N ZINC000295141699 199368634 /nfs/dbraw/zinc/36/86/34/199368634.db2.gz ZTVITRQVUJLXNJ-NSHDSACASA-N 0 3 262.353 2.206 20 30 CEEDHN C[C@@H]1CN(CCCOc2ccc(C#N)cc2)CCCO1 ZINC000061918394 362698844 /nfs/dbraw/zinc/69/88/44/362698844.db2.gz HWDPGZOSMMFARU-CQSZACIVSA-N 0 3 274.364 2.438 20 30 CEEDHN CCN(C(=O)[C@@H](C)N1CCCCCC1)[C@H](C)C#N ZINC000598359863 346337764 /nfs/dbraw/zinc/33/77/64/346337764.db2.gz NKGPLELADMZUDI-CHWSQXEVSA-N 0 3 251.374 2.011 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)[C@@H](C#N)CCc2ccccc2)CCN1 ZINC000598571996 346376404 /nfs/dbraw/zinc/37/64/04/346376404.db2.gz JPKFHZMIURIZGB-IAGOWNOFSA-N 0 3 299.418 2.215 20 30 CEEDHN COCCN(Cc1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598586222 346377752 /nfs/dbraw/zinc/37/77/52/346377752.db2.gz FGCXLVPAMOVBBQ-MRXNPFEDSA-N 0 3 290.407 2.436 20 30 CEEDHN C[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)C[C@H](C)S1 ZINC000598591502 346379580 /nfs/dbraw/zinc/37/95/80/346379580.db2.gz BGOZLLHCDMLLQZ-TUAOUCFPSA-N 0 3 256.415 2.113 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN(CCCO)Cc1ccccc1 ZINC000598593135 346380196 /nfs/dbraw/zinc/38/01/96/346380196.db2.gz QQPPPKRZQITJCB-INIZCTEOSA-N 0 3 290.407 2.172 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H](OCC2CC2)C1 ZINC000598608791 346383408 /nfs/dbraw/zinc/38/34/08/346383408.db2.gz POXIZYMPFCTZBA-LSDHHAIUSA-N 0 3 280.412 2.178 20 30 CEEDHN CN(C)c1ccccc1CN(C)C[C@H](O)CC(C)(C)C#N ZINC000598618605 346385305 /nfs/dbraw/zinc/38/53/05/346385305.db2.gz YVCOUTLPSMIVRS-OAHLLOKOSA-N 0 3 289.423 2.485 20 30 CEEDHN CC(C)CN(Cc1cnn(C)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598620990 346386119 /nfs/dbraw/zinc/38/61/19/346386119.db2.gz QQGJZOTYQQSTAO-HNNXBMFYSA-N 0 3 292.427 2.179 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000598621289 346386168 /nfs/dbraw/zinc/38/61/68/346386168.db2.gz JGVJHRCXZBOQJC-JYJNAYRXSA-N 0 3 288.391 2.095 20 30 CEEDHN CC[C@@H]1COC(C)(C)CN1C[C@@H](O)CC(C)(C)C#N ZINC000598622885 346386979 /nfs/dbraw/zinc/38/69/79/346386979.db2.gz OPPHGHCTMPACPZ-OLZOCXBDSA-N 0 3 268.401 2.177 20 30 CEEDHN CC1(C)CC[C@@H](CO)N(CCOc2cccc(C#N)c2)C1 ZINC000598646550 346392317 /nfs/dbraw/zinc/39/23/17/346392317.db2.gz GTQCYNDODRNILE-HNNXBMFYSA-N 0 3 288.391 2.420 20 30 CEEDHN C[C@H](O)[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1F ZINC000598729845 346410752 /nfs/dbraw/zinc/41/07/52/346410752.db2.gz NSHJFAWUAUIIES-ZOWXZIJZSA-N 0 3 294.370 2.138 20 30 CEEDHN C[C@@H](NC(=O)NC[C@@H]1CCCN1C)c1cccc(C#N)c1 ZINC000598999280 346444150 /nfs/dbraw/zinc/44/41/50/346444150.db2.gz PGLMNCPUSFSOBK-DOMZBBRYSA-N 0 3 286.379 2.013 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@@H](c2cccnc2)C2CC2)CC1 ZINC000599362055 346506988 /nfs/dbraw/zinc/50/69/88/346506988.db2.gz LBAVBSZKYFHZGD-LSDHHAIUSA-N 0 3 271.364 2.177 20 30 CEEDHN Cc1cc(C)c(O)c(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000602602086 347095828 /nfs/dbraw/zinc/09/58/28/347095828.db2.gz NPAAQYYMRIEGBE-GFCCVEGCSA-N 0 3 275.352 2.359 20 30 CEEDHN Cc1ccc(CN2CCC[C@H](CCC(N)=O)C2)cc1C#N ZINC000599282459 346490461 /nfs/dbraw/zinc/49/04/61/346490461.db2.gz QVXICCSIBBENLV-CQSZACIVSA-N 0 3 285.391 2.344 20 30 CEEDHN Cc1ccc(CN2CCC[C@H]2CN2CCOCC2)cc1C#N ZINC000599300844 346494853 /nfs/dbraw/zinc/49/48/53/346494853.db2.gz XTAVELABSIBKPW-SFHVURJKSA-N 0 3 299.418 2.163 20 30 CEEDHN Cc1ccc(CN2CCC(Cn3cnnc3)CC2)cc1C#N ZINC000599450988 346522994 /nfs/dbraw/zinc/52/29/94/346522994.db2.gz QHRYFYFFCUFVSC-UHFFFAOYSA-N 0 3 295.390 2.370 20 30 CEEDHN Cc1ccc(CN2C[C@H](C)[C@@](C)(CO)C2)cc1C#N ZINC000599481326 346527467 /nfs/dbraw/zinc/52/74/67/346527467.db2.gz KCFHHRULXIHAAC-XJKSGUPXSA-N 0 3 258.365 2.317 20 30 CEEDHN N#CCc1cccc2c1CCN(C[C@H]1CCCO1)C2 ZINC000599686704 346565158 /nfs/dbraw/zinc/56/51/58/346565158.db2.gz WCAFISJSYDFQJG-OAHLLOKOSA-N 0 3 256.349 2.290 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@@H](N)[C@@H](C)CC ZINC000236889554 370647038 /nfs/dbraw/zinc/64/70/38/370647038.db2.gz RIAQRVDSGSIZHF-WFASDCNBSA-N 0 3 276.380 2.241 20 30 CEEDHN C/C=C\C[C@H]1CCCN(CC(=O)N(CC)CCC#N)C1 ZINC000599689551 346567060 /nfs/dbraw/zinc/56/70/60/346567060.db2.gz JMCICGRMLUHYEY-QTLSWZBMSA-N 0 3 277.412 2.427 20 30 CEEDHN C[C@@H](CC#N)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000600230633 346627743 /nfs/dbraw/zinc/62/77/43/346627743.db2.gz XJRVJTNHYNOTIX-JSGCOSHPSA-N 0 3 263.385 2.059 20 30 CEEDHN N#Cc1ccncc1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000600228768 346627972 /nfs/dbraw/zinc/62/79/72/346627972.db2.gz FOJUUYFECQKDNQ-HNNXBMFYSA-N 0 3 298.390 2.090 20 30 CEEDHN Cc1cc(CNC[C@@H](O)CC2(C#N)CC2)ccc1F ZINC000600715642 346676596 /nfs/dbraw/zinc/67/65/96/346676596.db2.gz APHWPTMNWGAZSJ-ZDUSSCGKSA-N 0 3 262.328 2.279 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000600736185 346681310 /nfs/dbraw/zinc/68/13/10/346681310.db2.gz QUILBPMPKLFFEI-JTNHKYCSSA-N 0 3 292.329 2.465 20 30 CEEDHN COc1cccc(CNC[C@@H](O)CC2(C#N)CC2)c1C ZINC000600747556 346683481 /nfs/dbraw/zinc/68/34/81/346683481.db2.gz YMEWZJFHBLAFDT-AWEZNQCLSA-N 0 3 274.364 2.148 20 30 CEEDHN N#Cc1ccc(CNc2ccc([C@@H]3CNCCO3)cc2)o1 ZINC000600767672 346686263 /nfs/dbraw/zinc/68/62/63/346686263.db2.gz CCDHEFVYENMOJR-INIZCTEOSA-N 0 3 283.331 2.424 20 30 CEEDHN COc1ccc(-c2nc3c(s2)CNCC3)cc1C#N ZINC000600789396 346690795 /nfs/dbraw/zinc/69/07/95/346690795.db2.gz PUUMGFLAAULZAH-UHFFFAOYSA-N 0 3 271.345 2.336 20 30 CEEDHN Cc1ccc(-c2ccc(N3CCNCC3)nc2)cc1C#N ZINC000600794397 346692156 /nfs/dbraw/zinc/69/21/56/346692156.db2.gz UEHZVXFODVTGDP-UHFFFAOYSA-N 0 3 278.359 2.338 20 30 CEEDHN CCC[C@H](CCO)NCc1ccc(C#N)c(F)c1 ZINC000601140272 346767071 /nfs/dbraw/zinc/76/70/71/346767071.db2.gz STZPASGGSZESGE-CYBMUJFWSA-N 0 3 250.317 2.338 20 30 CEEDHN CC[C@@H]1CN(C)CCCN1c1cc(C#N)nc(C2CC2)n1 ZINC000601189417 346781192 /nfs/dbraw/zinc/78/11/92/346781192.db2.gz RHPWUFSPUKPLBZ-CQSZACIVSA-N 0 3 285.395 2.146 20 30 CEEDHN C[C@H]1CN(c2cc(C#N)nc(C3CC3)n2)CCN(C2CC2)C1 ZINC000601170010 346775756 /nfs/dbraw/zinc/77/57/56/346775756.db2.gz ITJBPICBGRHOIP-GFCCVEGCSA-N 0 3 297.406 2.146 20 30 CEEDHN C[C@H](CN(C)C(=O)[C@@H](N)CCCC#N)C(C)(C)C ZINC000602626154 347109756 /nfs/dbraw/zinc/10/97/56/347109756.db2.gz QDOILKDOMHGVMS-NEPJUHHUSA-N 0 3 253.390 2.148 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2CC#N)CCN1C ZINC000601225275 346795147 /nfs/dbraw/zinc/79/51/47/346795147.db2.gz LVBMJDGVZGKGHZ-ZFWWWQNUSA-N 0 3 285.391 2.307 20 30 CEEDHN CCC[C@@]1(CO)CCCN1Cc1cccc(C#N)n1 ZINC000602634205 347114152 /nfs/dbraw/zinc/11/41/52/347114152.db2.gz QDUOAXAPKSWAPZ-HNNXBMFYSA-N 0 3 259.353 2.080 20 30 CEEDHN Cc1ccc(CN2CC[C@H](Nc3ccc(C#N)cn3)C2)cc1 ZINC000601250545 346802069 /nfs/dbraw/zinc/80/20/69/346802069.db2.gz OKKOUHSBVGHPNJ-KRWDZBQOSA-N 0 3 292.386 2.370 20 30 CEEDHN N#Cc1cccc(CN2CCC3(CCC(O)CC3)CC2)n1 ZINC000602673355 347136366 /nfs/dbraw/zinc/13/63/66/347136366.db2.gz SVLYGXLPQPRNPF-UHFFFAOYSA-N 0 3 285.391 2.470 20 30 CEEDHN Cc1cc(CNC[C@@H](C)CCC#N)nc(N2CCCC2)n1 ZINC000602675202 347137038 /nfs/dbraw/zinc/13/70/38/347137038.db2.gz ZAJSHONOHYNZIP-ZDUSSCGKSA-N 0 3 287.411 2.415 20 30 CEEDHN C=CC[C@H]1CCN(Cc2ccc(C(=O)OC)n2C)C1 ZINC000602719862 347169242 /nfs/dbraw/zinc/16/92/42/347169242.db2.gz BHVMXHYASAPQMP-LBPRGKRZSA-N 0 3 262.353 2.210 20 30 CEEDHN C[C@@H](c1ccccc1)[C@@H](O)CNCc1cccc(C#N)n1 ZINC000602720277 347169606 /nfs/dbraw/zinc/16/96/06/347169606.db2.gz AKIDFRFOWIMJIN-GUYCJALGSA-N 0 3 281.359 2.207 20 30 CEEDHN N#Cc1cccc(CN[C@H]2COc3cc(F)ccc3C2)n1 ZINC000602707911 347162356 /nfs/dbraw/zinc/16/23/56/347162356.db2.gz CQUYYHVUCCYVIB-OAHLLOKOSA-N 0 3 283.306 2.186 20 30 CEEDHN Cn1cc(C[C@H]2CCC[C@@H]2NCc2cccc(C#N)n2)cn1 ZINC000602715380 347166345 /nfs/dbraw/zinc/16/63/45/347166345.db2.gz GRUZNFLHBSAFSH-PBHICJAKSA-N 0 3 295.390 2.188 20 30 CEEDHN CO[C@H](CNCC1(C#N)CCCCC1)C1CCOCC1 ZINC000602718777 347167978 /nfs/dbraw/zinc/16/79/78/347167978.db2.gz LDZBSAQBCZVRRX-OAHLLOKOSA-N 0 3 280.412 2.492 20 30 CEEDHN C[C@@H](CCC#N)CN(CCN(C)C)Cc1ccccn1 ZINC000602656759 347126687 /nfs/dbraw/zinc/12/66/87/347126687.db2.gz MTMHFMJWGXVTOU-HNNXBMFYSA-N 0 3 274.412 2.385 20 30 CEEDHN CN(C[C@@H](O)COCc1ccccc1)CC1(CC#N)CC1 ZINC000602784881 347197435 /nfs/dbraw/zinc/19/74/35/347197435.db2.gz KHKVYKXROMANNM-MRXNPFEDSA-N 0 3 288.391 2.190 20 30 CEEDHN CN(C)C(=O)C[C@@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000602804511 347206825 /nfs/dbraw/zinc/20/68/25/347206825.db2.gz HMBBKWXTMCYDHL-OAHLLOKOSA-N 0 3 285.391 2.489 20 30 CEEDHN CC/C=C\CCN1CCN(c2cccc(C#N)n2)CC1 ZINC000342629496 136701763 /nfs/dbraw/zinc/70/17/63/136701763.db2.gz HKCHTOUOMGYPME-ARJAWSKDSA-N 0 3 270.380 2.432 20 30 CEEDHN C[C@H](CCC#N)CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602737228 347178915 /nfs/dbraw/zinc/17/89/15/347178915.db2.gz BLIDIWBRRAMWDM-OUAUKWLOSA-N 0 3 264.291 2.029 20 30 CEEDHN CC(C)(CCC#N)CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602738711 347180010 /nfs/dbraw/zinc/18/00/10/347180010.db2.gz QMDNZQYSCPNLPU-WDEREUQCSA-N 0 3 278.318 2.419 20 30 CEEDHN C[C@](CO)(Cc1ccccc1F)NCc1cccc(C#N)n1 ZINC000602739418 347181013 /nfs/dbraw/zinc/18/10/13/347181013.db2.gz DWAVTWRLFGRNPJ-QGZVFWFLSA-N 0 3 299.349 2.176 20 30 CEEDHN CCCCNC(=O)C1CCN(CC2(CC#N)CC2)CC1 ZINC000602757271 347186717 /nfs/dbraw/zinc/18/67/17/347186717.db2.gz SZTABXUKUAOFNR-UHFFFAOYSA-N 0 3 277.412 2.309 20 30 CEEDHN C[C@@H]1CN([C@@H]2C[C@@H]2c2ccccc2)C[C@@H](C)N1CC#N ZINC000602848663 347223765 /nfs/dbraw/zinc/22/37/65/347223765.db2.gz HRHZFZDUMFODRC-MUIFIZLQSA-N 0 3 269.392 2.461 20 30 CEEDHN N#CCC1(CN2CCCN(c3ccncc3)CC2)CC1 ZINC000602850482 347224375 /nfs/dbraw/zinc/22/43/75/347224375.db2.gz WEEUTEQDLCQEBT-UHFFFAOYSA-N 0 3 270.380 2.288 20 30 CEEDHN Cn1ccnc1[C@H](NCCCC(C)(C)C#N)C(C)(C)CO ZINC000602882622 347237198 /nfs/dbraw/zinc/23/71/98/347237198.db2.gz OHPUHWMTIHFYAF-ZDUSSCGKSA-N 0 3 292.427 2.399 20 30 CEEDHN CN(CC1(CC#N)CC1)[C@@H](CO)Cc1ccccc1 ZINC000602885844 347239462 /nfs/dbraw/zinc/23/94/62/347239462.db2.gz WMKIVXLTTLAVAU-OAHLLOKOSA-N 0 3 258.365 2.216 20 30 CEEDHN N#CCCCN[C@@H](c1ccncc1)C1(CO)CCC1 ZINC000602902404 347241802 /nfs/dbraw/zinc/24/18/02/347241802.db2.gz LOMRVNCUIGBUOX-AWEZNQCLSA-N 0 3 259.353 2.179 20 30 CEEDHN N#CCCOCCN1CCC(c2ccc(F)cn2)CC1 ZINC000602905321 347243476 /nfs/dbraw/zinc/24/34/76/347243476.db2.gz RFGHFMZYJMVAGY-UHFFFAOYSA-N 0 3 277.343 2.330 20 30 CEEDHN N#Cc1cc(F)cc(NC(=O)NCCN2CCCCC2)c1 ZINC000603074540 347282429 /nfs/dbraw/zinc/28/24/29/347282429.db2.gz CEQNGCOLWQURSO-UHFFFAOYSA-N 0 3 290.342 2.305 20 30 CEEDHN Cn1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1=O ZINC000604492234 347418201 /nfs/dbraw/zinc/41/82/01/347418201.db2.gz SANDLQVJAVTDJP-UHFFFAOYSA-N 0 3 293.370 2.422 20 30 CEEDHN C=C(Cl)CN[C@H](C)Cn1cc(Br)cn1 ZINC000129780503 365893259 /nfs/dbraw/zinc/89/32/59/365893259.db2.gz JSOYUMFWUMIBPE-MRVPVSSYSA-N 0 3 278.581 2.376 20 30 CEEDHN C=CCOCCCC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000608120797 347568238 /nfs/dbraw/zinc/56/82/38/347568238.db2.gz AKALTWCDLSJHAX-UHFFFAOYSA-N 0 3 282.428 2.302 20 30 CEEDHN CCCC(=O)NC1CCN(CCCCC#N)CC1 ZINC000608832328 347622350 /nfs/dbraw/zinc/62/23/50/347622350.db2.gz DJSKVUYVJCDSOI-UHFFFAOYSA-N 0 3 251.374 2.061 20 30 CEEDHN N#CCN1CCC(NCc2ccc(Cl)o2)CC1 ZINC000609335004 347635470 /nfs/dbraw/zinc/63/54/70/347635470.db2.gz OWTYWKZLFKODDA-UHFFFAOYSA-N 0 3 253.733 2.011 20 30 CEEDHN CC(C)OCc1ccccc1CNC(=O)C(C)C#N ZINC000609919828 347655628 /nfs/dbraw/zinc/65/56/28/347655628.db2.gz SQAHQMHJDLNMRI-GFCCVEGCSA-N 0 3 260.337 2.387 20 30 CEEDHN CC(C#N)C(=O)NCc1cccc(OCc2ccccn2)c1 ZINC000609920125 347655982 /nfs/dbraw/zinc/65/59/82/347655982.db2.gz LDVIIDQEUJAQMP-ZDUSSCGKSA-N 0 3 295.342 2.436 20 30 CEEDHN COC[C@H]1CCCN1CCOc1ccc(C#N)cc1 ZINC000610605116 347695620 /nfs/dbraw/zinc/69/56/20/347695620.db2.gz LQMZBGAQODSMTP-CQSZACIVSA-N 0 3 260.337 2.048 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1COc2c1cccc2Cl ZINC000610714587 347706027 /nfs/dbraw/zinc/70/60/27/347706027.db2.gz QWXLDZOFKDUQTR-OIBJUYFYSA-N 0 3 250.685 2.049 20 30 CEEDHN COC(=O)C(C)(C)[C@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000610825702 347716609 /nfs/dbraw/zinc/71/66/09/347716609.db2.gz WQCSIQNWEYPMMP-WCQYABFASA-N 0 3 288.347 2.203 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000611237229 347755458 /nfs/dbraw/zinc/75/54/58/347755458.db2.gz CADISDJCRPIYGI-KBPBESRZSA-N 0 3 283.412 2.367 20 30 CEEDHN N#Cc1cccc(NC(=O)CCN2CC=CCC2)c1 ZINC000611517363 347789185 /nfs/dbraw/zinc/78/91/85/347789185.db2.gz UKJWCIDZTOPRFC-UHFFFAOYSA-N 0 3 255.321 2.149 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)N2CCC[C@](C)(C#N)C2)C1 ZINC000612109499 347846439 /nfs/dbraw/zinc/84/64/39/347846439.db2.gz UNGIONJFZDZVHZ-GOEBONIOSA-N 0 3 292.427 2.054 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612137609 347848543 /nfs/dbraw/zinc/84/85/43/347848543.db2.gz GWJGNEOAVRCGHB-GOEBONIOSA-N 0 3 294.443 2.298 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612364691 347874174 /nfs/dbraw/zinc/87/41/74/347874174.db2.gz CCXHCJRTKZMPMO-ZFWWWQNUSA-N 0 3 263.385 2.013 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2cnn(CC(F)(F)F)c2)C1 ZINC000613661016 348086024 /nfs/dbraw/zinc/08/60/24/348086024.db2.gz VHAXXOZAPHNXJH-KOLCDFICSA-N 0 3 272.274 2.227 20 30 CEEDHN C=CCC1(C(=O)N2CCC[C@@](O)(CN(C)C)C2)CCCC1 ZINC000614071781 348141413 /nfs/dbraw/zinc/14/14/13/348141413.db2.gz ZXAPEQPBSWOEPD-QGZVFWFLSA-N 0 3 294.439 2.038 20 30 CEEDHN Cc1ccnc(N(C)[C@@H]2CCN(C)[C@H](C)C2)c1C#N ZINC000273331820 192115870 /nfs/dbraw/zinc/11/58/70/192115870.db2.gz MEUHJAOEZVADBL-CHWSQXEVSA-N 0 3 258.369 2.181 20 30 CEEDHN Cc1ccnc(N[C@@H]2CN(C(C)C)C[C@@H]2C)c1C#N ZINC000273340476 192119626 /nfs/dbraw/zinc/11/96/26/192119626.db2.gz NPCOFOVVZYFWJL-GXTWGEPZSA-N 0 3 258.369 2.402 20 30 CEEDHN N#Cc1cc(N2CCN3CCC2CC3)c2ccccc2n1 ZINC000615727567 348382319 /nfs/dbraw/zinc/38/23/19/348382319.db2.gz DSKGZBXCAWNRQW-UHFFFAOYSA-N 0 3 278.359 2.391 20 30 CEEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)C(=O)N(C)C ZINC000616365685 348487759 /nfs/dbraw/zinc/48/77/59/348487759.db2.gz KEIRQPQMXZQEPW-NHYWBVRUSA-N 0 3 271.364 2.002 20 30 CEEDHN CC(C#N)C(=O)NCC(=O)c1c(Cl)cccc1Cl ZINC000616920374 348583870 /nfs/dbraw/zinc/58/38/70/348583870.db2.gz DAIJZTVTWMFCKY-ZETCQYMHSA-N 0 3 285.130 2.452 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000617779847 348790092 /nfs/dbraw/zinc/79/00/92/348790092.db2.gz JNVYMGHOSRPPGC-HIFRSBDPSA-N 0 3 262.397 2.428 20 30 CEEDHN C[C@@H]1CN(CCC(=O)Nc2sccc2C#N)[C@H]1C ZINC000339563947 215245287 /nfs/dbraw/zinc/24/52/87/215245287.db2.gz NQYKLZIOPMGXTI-ZJUUUORDSA-N 0 3 263.366 2.289 20 30 CEEDHN N#Cc1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000359941770 233170295 /nfs/dbraw/zinc/17/02/95/233170295.db2.gz OIISUTRVNSCZOX-OAHLLOKOSA-N 0 3 284.363 2.260 20 30 CEEDHN C[C@H](CC(C)(C)O)NCc1ccc(C#N)c(F)c1 ZINC000404104124 233192398 /nfs/dbraw/zinc/19/23/98/233192398.db2.gz IYYCACZDLVDDJA-SNVBAGLBSA-N 0 3 250.317 2.336 20 30 CEEDHN N#Cc1ccc(NCCN2CCC3(CCCCC3)CC2)nn1 ZINC000619651884 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ZINC000191053439 369672758 /nfs/dbraw/zinc/67/27/58/369672758.db2.gz OFFVRKIHNCDZEV-CYBMUJFWSA-N 0 3 269.348 2.454 20 30 CEEDHN COc1ccc(CN2[C@H](C)CC(O)C[C@@H]2C)cc1C#N ZINC000191180064 369688397 /nfs/dbraw/zinc/68/83/97/369688397.db2.gz KBJDZSAQWQUFFL-ODOQXGPZSA-N 0 3 274.364 2.301 20 30 CEEDHN CC[S@](=O)[C@H]1CCC[C@H](NCc2cc(C#N)n(C)c2)C1 ZINC000191293738 369699605 /nfs/dbraw/zinc/69/96/05/369699605.db2.gz DAJJXFVTUHVLAB-KPHUOKFYSA-N 0 3 293.436 2.066 20 30 CEEDHN CCCC[C@H](C)N(C)CC(=O)NC1(C#N)CCC1 ZINC000352391403 369705024 /nfs/dbraw/zinc/70/50/24/369705024.db2.gz KRIKBUNIXAQNDA-LBPRGKRZSA-N 0 3 251.374 2.059 20 30 CEEDHN C=CCOCCCN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000352390115 369705516 /nfs/dbraw/zinc/70/55/16/369705516.db2.gz BJXREDHQSFGHHJ-CYBMUJFWSA-N 0 3 269.776 2.376 20 30 CEEDHN C=CCOCCCN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352672619 369829792 /nfs/dbraw/zinc/82/97/92/369829792.db2.gz VFNXCFKAZVRAIQ-VXGBXAGGSA-N 0 3 281.318 2.072 20 30 CEEDHN N#CCCCCN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352675031 369831707 /nfs/dbraw/zinc/83/17/07/369831707.db2.gz CSIVCANGLGMOOJ-GHMZBOCLSA-N 0 3 264.291 2.173 20 30 CEEDHN C#CCN(C(=O)N[C@@H]1CCN(C)[C@H](C)C1)C1CCCC1 ZINC000490802784 261210780 /nfs/dbraw/zinc/21/07/80/261210780.db2.gz FNTXBGHKDIALQA-ZIAGYGMSSA-N 0 3 277.412 2.057 20 30 CEEDHN C=CCN1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192792306 369854747 /nfs/dbraw/zinc/85/47/47/369854747.db2.gz VQASEOVNYIYQDB-UHFFFAOYSA-N 0 3 276.340 2.239 20 30 CEEDHN CN(CCNCc1nc(C#N)cs1)Cc1ccccc1 ZINC000352855602 369916082 /nfs/dbraw/zinc/91/60/82/369916082.db2.gz SZVDZLZYUXRUEY-UHFFFAOYSA-N 0 3 286.404 2.236 20 30 CEEDHN COc1cc(CN[C@@H]2CSC[C@@H]2C)ccc1C#N ZINC000353018686 369983558 /nfs/dbraw/zinc/98/35/58/369983558.db2.gz NHEZDNHBSCCNKD-GXFFZTMASA-N 0 3 262.378 2.408 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)[C@H](C)NCC ZINC000637951852 370194077 /nfs/dbraw/zinc/19/40/77/370194077.db2.gz HPOOKGVQROGYBC-AWEZNQCLSA-N 0 3 260.381 2.242 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1cscc1C#N ZINC000354382782 370341572 /nfs/dbraw/zinc/34/15/72/370341572.db2.gz JVKSYEXWUQTKME-LBPRGKRZSA-N 0 3 277.393 2.224 20 30 CEEDHN C=CCCOCCNCc1cc(OC)c(O)c(OC)c1 ZINC000231800955 370494692 /nfs/dbraw/zinc/49/46/92/370494692.db2.gz QSXHYBGPNMMRNV-UHFFFAOYSA-N 0 3 281.352 2.092 20 30 CEEDHN COc1cc(CN[C@@H]2CCO[C@H]2C2CC2)ccc1C#N ZINC000235008178 370553578 /nfs/dbraw/zinc/55/35/78/370553578.db2.gz UAAYJSDZNRTSCP-ZBFHGGJFSA-N 0 3 272.348 2.224 20 30 CEEDHN COc1cc(CN[C@@H]2CCO[C@@H]2C2CC2)ccc1C#N ZINC000235008007 370553699 /nfs/dbraw/zinc/55/36/99/370553699.db2.gz UAAYJSDZNRTSCP-GDBMZVCRSA-N 0 3 272.348 2.224 20 30 CEEDHN CCOC1CC(NCc2ccc(C#N)c(OC)c2)C1 ZINC000233736957 370522057 /nfs/dbraw/zinc/52/20/57/370522057.db2.gz WFOPKOSKIRCWBH-UHFFFAOYSA-N 0 3 260.337 2.224 20 30 CEEDHN CN1CC[C@H](CNc2nc(Cl)c(C#N)s2)C1 ZINC000234352954 370534944 /nfs/dbraw/zinc/53/49/44/370534944.db2.gz MUKKFVWWQOIKHI-SSDOTTSWSA-N 0 3 256.762 2.032 20 30 CEEDHN CCCN(C)CC(=O)N[C@H](C#N)c1ccccc1Cl ZINC000355571017 370603814 /nfs/dbraw/zinc/60/38/14/370603814.db2.gz FHNKSFCTCYHKDK-CYBMUJFWSA-N 0 3 279.771 2.363 20 30 CEEDHN C=CCOc1ccccc1CN[C@H]1CCCNC(=O)C1 ZINC000638616312 370638246 /nfs/dbraw/zinc/63/82/46/370638246.db2.gz KPYORAYGGZVYLP-AWEZNQCLSA-N 0 3 274.364 2.010 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000246961861 371037186 /nfs/dbraw/zinc/03/71/86/371037186.db2.gz RNRKFFKMIHXJOM-YQQAZPJKSA-N 0 3 284.403 2.250 20 30 CEEDHN C[C@H]1CCCCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000358384104 371042430 /nfs/dbraw/zinc/04/24/30/371042430.db2.gz LNJODTOLVQRSDG-SWLSCSKDSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCN(CCOC)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000358546936 371109988 /nfs/dbraw/zinc/10/99/88/371109988.db2.gz PFJRFADSTSOYCZ-CABCVRRESA-N 0 3 297.443 2.093 20 30 CEEDHN CC(C)[C@@H](CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000358572544 371123504 /nfs/dbraw/zinc/12/35/04/371123504.db2.gz QIHMFVONLWACSL-QMTHXVAHSA-N 0 3 250.317 2.365 20 30 CEEDHN CC(C#N)C(=O)NCc1csc(-c2ccco2)n1 ZINC000358640066 371149427 /nfs/dbraw/zinc/14/94/27/371149427.db2.gz QJAZXWUTRFQEBA-QMMMGPOBSA-N 0 3 261.306 2.179 20 30 CEEDHN C[C@@H]1CCN(C)CCN1C(=O)NCC(C)(C)CCC#N ZINC000358745895 371200833 /nfs/dbraw/zinc/20/08/33/371200833.db2.gz XSXMPLQVQBHWCD-CYBMUJFWSA-N 0 3 280.416 2.052 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)CCC#N)CCN1C ZINC000358687144 371174576 /nfs/dbraw/zinc/17/45/76/371174576.db2.gz ODGQXOXZDYQOJE-KBPBESRZSA-N 0 3 294.443 2.440 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000249288368 371311266 /nfs/dbraw/zinc/31/12/66/371311266.db2.gz QFAKLLNMJLTXKA-QLFBSQMISA-N 0 3 287.407 2.006 20 30 CEEDHN CC[C@@H]1[C@H](C)CCN1CC(=O)N(CC)C[C@H](C)C#N ZINC000249488009 371325541 /nfs/dbraw/zinc/32/55/41/371325541.db2.gz YSBIXFBWRMEZAZ-MGPQQGTHSA-N 0 3 265.401 2.115 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@@H]1CCc2ncnn21 ZINC000639573027 371415580 /nfs/dbraw/zinc/41/55/80/371415580.db2.gz XMXFNKISHGZHHI-ZDUSSCGKSA-N 0 3 272.352 2.089 20 30 CEEDHN COCC#CCN1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000639591856 371428581 /nfs/dbraw/zinc/42/85/81/371428581.db2.gz KETFNVLCUQUXFL-MRXNPFEDSA-N 0 3 297.402 2.398 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)CCOCc1ccccc1 ZINC000360578837 371519801 /nfs/dbraw/zinc/51/98/01/371519801.db2.gz HGCWGJPHCFZVHM-STQMWFEESA-N 0 3 260.337 2.258 20 30 CEEDHN CN1CCC[C@H](CNC(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000255048773 371551237 /nfs/dbraw/zinc/55/12/37/371551237.db2.gz ZEVCLGIWNZVSBG-XITLMJRVSA-N 0 3 283.375 2.029 20 30 CEEDHN COCC#CCN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000639907788 371661503 /nfs/dbraw/zinc/66/15/03/371661503.db2.gz SSCVABXJWXODRJ-CABCVRRESA-N 0 3 281.302 2.034 20 30 CEEDHN CCCOC1(CNC(=O)C(C)C#N)CCCCC1 ZINC000361221397 371723619 /nfs/dbraw/zinc/72/36/19/371723619.db2.gz SJPHVGMODILKGT-GFCCVEGCSA-N 0 3 252.358 2.392 20 30 CEEDHN O[C@H]1C[C@H]2C[C@@H](C1)N(CC#Cc1ccc(F)cc1)C2 ZINC000640075324 371795185 /nfs/dbraw/zinc/79/51/85/371795185.db2.gz GDEFVOMJGUDSQE-KBMXLJTQSA-N 0 3 259.324 2.022 20 30 CEEDHN C[C@](C#N)(NC(=O)CN(CC1CC1)CC1CCC1)C1CC1 ZINC000361572384 371936471 /nfs/dbraw/zinc/93/64/71/371936471.db2.gz SGZUCOITXDIHJD-QGZVFWFLSA-N 0 3 289.423 2.307 20 30 CEEDHN [O-]c1ccccc1/C=N\CC1([NH+]2CCCC2)CCOCC1 ZINC000264462013 371993955 /nfs/dbraw/zinc/99/39/55/371993955.db2.gz YSXSRIRZPNRTTL-AQTBWJFISA-N 0 3 288.391 2.456 20 30 CEEDHN COc1ccc(CN2CC[C@@H](CO)C[C@H]2C)cc1C#N ZINC000344144773 217072096 /nfs/dbraw/zinc/07/20/96/217072096.db2.gz OEYHSCKFRGVGFL-TZMCWYRMSA-N 0 3 274.364 2.160 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000361777892 372066465 /nfs/dbraw/zinc/06/64/65/372066465.db2.gz YXUDFJFOXBFTPB-DZGCQCFKSA-N 0 3 250.386 2.284 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCCc3cn[nH]c32)c1 ZINC000268859627 372259208 /nfs/dbraw/zinc/25/92/08/372259208.db2.gz RSKNLMPAFOYVQJ-CQSZACIVSA-N 0 3 252.321 2.449 20 30 CEEDHN C=CCCN1CCN(CCOc2cccc(OC)c2)CC1 ZINC000268866897 372262633 /nfs/dbraw/zinc/26/26/33/372262633.db2.gz GKYDNFHOSNBVPS-UHFFFAOYSA-N 0 3 290.407 2.268 20 30 CEEDHN C#CCOc1ccc([C@H](C)N[C@H](C)[C@@H](CO)SC)cc1 ZINC000268987957 372308873 /nfs/dbraw/zinc/30/88/73/372308873.db2.gz GBYIAKRDSKYJEB-WOSRLPQWSA-N 0 3 293.432 2.462 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(N)cc2Cl)CC1 ZINC000269278582 372405197 /nfs/dbraw/zinc/40/51/97/372405197.db2.gz YRFBCESMBPDGIQ-UHFFFAOYSA-N 0 3 293.798 2.302 20 30 CEEDHN C=C[C@@H](C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000362702137 372494601 /nfs/dbraw/zinc/49/46/01/372494601.db2.gz ALWNXUMWRUOTJJ-GFCCVEGCSA-N 0 3 261.369 2.122 20 30 CEEDHN CCN(CC#Cc1cccc(Cl)c1)CCCO ZINC000269658435 372523774 /nfs/dbraw/zinc/52/37/74/372523774.db2.gz XBOYMVJVPKJDBL-UHFFFAOYSA-N 0 3 251.757 2.396 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H]1CN(C)C ZINC000269677083 372529354 /nfs/dbraw/zinc/52/93/54/372529354.db2.gz HMRBCMHRNAPMPU-CQSZACIVSA-N 0 3 271.364 2.033 20 30 CEEDHN CN(CCNC(=O)c1ccc(C#N)s1)Cc1ccccc1 ZINC000362912487 372569766 /nfs/dbraw/zinc/56/97/66/372569766.db2.gz MGUKKBVZXXBQTF-UHFFFAOYSA-N 0 3 299.399 2.482 20 30 CEEDHN C[C@H](CNC(=O)c1ccc(C#N)s1)N1CCC[C@@H](C)C1 ZINC000362943118 372582811 /nfs/dbraw/zinc/58/28/11/372582811.db2.gz IQAYPNWKFGUXFM-VXGBXAGGSA-N 0 3 291.420 2.470 20 30 CEEDHN N#Cc1cccc(CN[C@@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000269918963 372598665 /nfs/dbraw/zinc/59/86/65/372598665.db2.gz KGBUYUPAPMDSGF-MSOLQXFVSA-N 0 3 296.370 2.132 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc(OCC)cc1C ZINC000641766680 372703902 /nfs/dbraw/zinc/70/39/02/372703902.db2.gz AFIOQBPYHJMPAW-OAHLLOKOSA-N 0 3 261.365 2.258 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cn(C)nc1C1CCCCC1 ZINC000641767028 372706217 /nfs/dbraw/zinc/70/62/17/372706217.db2.gz FXLTZBJVPIFUKA-INIZCTEOSA-N 0 3 289.423 2.332 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cc(F)cc2cccnc21 ZINC000641767742 372707127 /nfs/dbraw/zinc/70/71/27/372707127.db2.gz QBJCZNFBHRYZOH-HNNXBMFYSA-N 0 3 272.323 2.238 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc(C(F)F)cc1 ZINC000641767991 372708740 /nfs/dbraw/zinc/70/87/40/372708740.db2.gz SVRRZAVDPMCYJC-ZDUSSCGKSA-N 0 3 253.292 2.488 20 30 CEEDHN C=C[C@H](CO)NCc1c[nH]nc1-c1cccc(C)c1 ZINC000641772051 372716197 /nfs/dbraw/zinc/71/61/97/372716197.db2.gz GCVYHTPGUTUBAT-CQSZACIVSA-N 0 3 257.337 2.022 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](NCCSCCCO)CC2 ZINC000353427457 220075447 /nfs/dbraw/zinc/07/54/47/220075447.db2.gz OHTHFHUUHVAWBN-OAHLLOKOSA-N 0 3 276.405 2.251 20 30 CEEDHN C#CC[C@H](NC(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC000270411372 372778287 /nfs/dbraw/zinc/77/82/87/372778287.db2.gz LJVRBSOPUMLAOW-HOTGVXAUSA-N 0 3 285.391 2.144 20 30 CEEDHN C=CCCCN1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000365305949 372824125 /nfs/dbraw/zinc/82/41/25/372824125.db2.gz JSLLBIJJEBSKBH-UHFFFAOYSA-N 0 3 261.369 2.129 20 30 CEEDHN Cn1cc(CN2CC[C@H](c3ccco3)C2)cc1C#N ZINC000365270192 372813439 /nfs/dbraw/zinc/81/34/39/372813439.db2.gz UNWXZUZLGWRETO-ZDUSSCGKSA-N 0 3 255.321 2.479 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(C#N)cc1 ZINC000344684212 217273535 /nfs/dbraw/zinc/27/35/35/217273535.db2.gz BXSLHBDQBVVRPA-OAHLLOKOSA-N 0 3 285.391 2.408 20 30 CEEDHN C#CC[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000365673685 372915927 /nfs/dbraw/zinc/91/59/27/372915927.db2.gz RAMNNXQQJPKNBT-INIZCTEOSA-N 0 3 299.418 2.316 20 30 CEEDHN Cc1nccn1CCN(C)Cc1ccc(C#N)cc1 ZINC000270841202 372978434 /nfs/dbraw/zinc/97/84/34/372978434.db2.gz NRRZEIRBZHNVBD-UHFFFAOYSA-N 0 3 254.337 2.195 20 30 CEEDHN C=CCc1cc(CN2CCC(CO)CC2)cc(OC)c1O ZINC000271019835 373069065 /nfs/dbraw/zinc/06/90/65/373069065.db2.gz AMJBMAKRMKTBPP-UHFFFAOYSA-N 0 3 291.391 2.334 20 30 CEEDHN C#CCCCN1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000271027201 373077973 /nfs/dbraw/zinc/07/79/73/373077973.db2.gz KJTUTFNPKXHPER-UHFFFAOYSA-N 0 3 286.423 2.444 20 30 CEEDHN CCCN1CCCN(C(=O)c2cc(C#N)oc2C)CC1 ZINC000366657414 373105436 /nfs/dbraw/zinc/10/54/36/373105436.db2.gz VEHGQCNUNMUZBX-UHFFFAOYSA-N 0 3 275.352 2.018 20 30 CEEDHN C[C@H](NCCN1CCSCC1)c1ccc(C#N)c(F)c1 ZINC000271923027 373215895 /nfs/dbraw/zinc/21/58/95/373215895.db2.gz FIRLKNASXRWBIF-LBPRGKRZSA-N 0 3 293.411 2.397 20 30 CEEDHN C[C@@H](NC[C@]1(O)CCSC1)c1ccc(C#N)c(F)c1 ZINC000271941350 373226821 /nfs/dbraw/zinc/22/68/21/373226821.db2.gz LYNXFQVRVBKNGU-QMTHXVAHSA-N 0 3 280.368 2.216 20 30 CEEDHN C/C=C\C[C@H](CO)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353582530 220171065 /nfs/dbraw/zinc/17/10/65/220171065.db2.gz SDDMVZIKOBBHCS-SJJHJAGZSA-N 0 3 256.349 2.462 20 30 CEEDHN CCCCCCCC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000368949528 373298893 /nfs/dbraw/zinc/29/88/93/373298893.db2.gz IRSZVBGPFUOCRR-HNNXBMFYSA-N 0 3 284.444 2.262 20 30 CEEDHN C=CCN(CCc1ccco1)CC[C@@H]1CCOC1=O ZINC000272294596 373413666 /nfs/dbraw/zinc/41/36/66/373413666.db2.gz OORFWUCPUBQGGB-CYBMUJFWSA-N 0 3 263.337 2.263 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@@H]([C@@H](C)O)C2)c1 ZINC000272477304 373507114 /nfs/dbraw/zinc/50/71/14/373507114.db2.gz BJHLXOVYHBRUBT-UKRRQHHQSA-N 0 3 261.365 2.454 20 30 CEEDHN C#CC[C@H](C)NC(=O)N1C[C@H]2CCCCN2C[C@@H]1CC ZINC000370276623 373624316 /nfs/dbraw/zinc/62/43/16/373624316.db2.gz XDVSBYLYNVVVDQ-SOUVJXGZSA-N 0 3 277.412 2.057 20 30 CEEDHN C=CCOCCN(C)C[C@H]1CN(CC)c2ccccc2O1 ZINC000645075008 373840487 /nfs/dbraw/zinc/84/04/87/373840487.db2.gz OVLXBNOKKTUYSI-HNNXBMFYSA-N 0 3 290.407 2.408 20 30 CEEDHN C#CC[C@H](NC(=O)N(C)CCN(C)C1CC1)c1ccccc1 ZINC000274537318 373954549 /nfs/dbraw/zinc/95/45/49/373954549.db2.gz SOQHBMYTRWGDEN-KRWDZBQOSA-N 0 3 299.418 2.487 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CCC[C@@H]2C2CCC2)c1 ZINC000371534358 373914064 /nfs/dbraw/zinc/91/40/64/373914064.db2.gz CUSDTTYIBJRBFP-QGZVFWFLSA-N 0 3 297.402 2.439 20 30 CEEDHN CN1CC[C@H](Nc2cnc(C#N)cn2)[C@H]1c1ccccc1 ZINC000274651593 374000152 /nfs/dbraw/zinc/00/01/52/374000152.db2.gz GPTPLKTZTZVYEH-GOEBONIOSA-N 0 3 279.347 2.206 20 30 CEEDHN C=CCNC(=O)CN1CC[C@@H](c2cn(C)c3ccccc23)C1 ZINC000371843930 373991012 /nfs/dbraw/zinc/99/10/12/373991012.db2.gz GDDLEINYDPCBMF-CQSZACIVSA-N 0 3 297.402 2.270 20 30 CEEDHN C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@H](c1ccccc1)N(C)C ZINC000274754108 374038369 /nfs/dbraw/zinc/03/83/69/374038369.db2.gz XMBJWBLQXGLGCO-BLLLJJGKSA-N 0 3 296.374 2.308 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccncc2C)CC1 ZINC000274806568 374057292 /nfs/dbraw/zinc/05/72/92/374057292.db2.gz LPRXIYRDVONDKF-UHFFFAOYSA-N 0 3 273.380 2.160 20 30 CEEDHN COC(=O)[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000274991637 374117928 /nfs/dbraw/zinc/11/79/28/374117928.db2.gz BKQKAIUUKHMNPM-SMDDNHRTSA-N 0 3 258.321 2.114 20 30 CEEDHN Cn1ccnc1[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000373228035 374301214 /nfs/dbraw/zinc/30/12/14/374301214.db2.gz LJXAGSXSTZWDTP-LBPRGKRZSA-N 0 3 270.336 2.264 20 30 CEEDHN CCCN1CCCN(C(=O)c2ccc(C)c(C#N)c2)CC1 ZINC000374251859 374522487 /nfs/dbraw/zinc/52/24/87/374522487.db2.gz ZUMRFLWBRHZMKW-UHFFFAOYSA-N 0 3 285.391 2.425 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)CCOCC ZINC000277564182 374567048 /nfs/dbraw/zinc/56/70/48/374567048.db2.gz APMKDGCMIZBJQK-QGZVFWFLSA-N 0 3 288.391 2.334 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@@H](O)CCOCC ZINC000277626760 374583670 /nfs/dbraw/zinc/58/36/70/374583670.db2.gz ZOPVAEVZLOCXBL-INIZCTEOSA-N 0 3 263.381 2.462 20 30 CEEDHN CCN(CC#N)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000375401314 374656185 /nfs/dbraw/zinc/65/61/85/374656185.db2.gz OWRYMFXZECYFHV-QGZVFWFLSA-N 0 3 287.407 2.123 20 30 CEEDHN CC[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(C#N)cc1 ZINC000278197043 374746873 /nfs/dbraw/zinc/74/68/73/374746873.db2.gz GBRGLLWVBIXRDC-UKRRQHHQSA-N 0 3 292.404 2.034 20 30 CEEDHN C[C@@H]1OCC[C@]12CN(CC(C)(C)CCC#N)CCO2 ZINC000377274129 374829835 /nfs/dbraw/zinc/82/98/35/374829835.db2.gz WBFWZAFYSNFUAA-ZFWWWQNUSA-N 0 3 266.385 2.196 20 30 CEEDHN CC[C@H](NC[C@H]1CN(C2CC2)CCO1)c1ccc(C#N)cc1 ZINC000377085324 374787013 /nfs/dbraw/zinc/78/70/13/374787013.db2.gz YEOQHMXDKBNKIW-ROUUACIJSA-N 0 3 299.418 2.462 20 30 CEEDHN C=C(C)CN(CCn1cncn1)Cc1ccccc1 ZINC000279409148 374865794 /nfs/dbraw/zinc/86/57/94/374865794.db2.gz VTFZUNTVFZDIBF-UHFFFAOYSA-N 0 3 256.353 2.356 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC000377402173 374849823 /nfs/dbraw/zinc/84/98/23/374849823.db2.gz JQVHTJGYRUXEFR-WBVHZDCISA-N 0 3 280.327 2.142 20 30 CEEDHN C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cccc(C#N)c1 ZINC000378448254 375103478 /nfs/dbraw/zinc/10/34/78/375103478.db2.gz CNMPECQNFMUJNX-NOXHYTERSA-N 0 3 283.375 2.218 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1nccc(C#N)n1 ZINC000389963498 375309978 /nfs/dbraw/zinc/30/99/78/375309978.db2.gz WRNNXTZVFKMDOE-CZUORRHYSA-N 0 3 293.374 2.281 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@H](C)C[C@@H](CO)C1 ZINC000398623509 375352823 /nfs/dbraw/zinc/35/28/23/375352823.db2.gz GVJAKGDARUWABW-TZMCWYRMSA-N 0 3 274.364 2.017 20 30 CEEDHN C=CC[C@H](CC)NCc1cn(C)nc1C(=O)OCC ZINC000281164793 375360392 /nfs/dbraw/zinc/36/03/92/375360392.db2.gz GLAHTVYKURUVJN-LBPRGKRZSA-N 0 3 265.357 2.041 20 30 CEEDHN N#Cc1cc(N2CCN(CCc3cccs3)CC2)ccn1 ZINC000286388809 375937385 /nfs/dbraw/zinc/93/73/85/375937385.db2.gz NJIYWTVHKAMJCW-UHFFFAOYSA-N 0 3 298.415 2.379 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415894622 376028930 /nfs/dbraw/zinc/02/89/30/376028930.db2.gz MPQKQYRQKRCXCJ-ZDUSSCGKSA-N 0 3 272.352 2.146 20 30 CEEDHN CCOC1CC(N(C)C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000286979410 376120085 /nfs/dbraw/zinc/12/00/85/376120085.db2.gz OQCLRZCWLGGGFN-UYSNPLJNSA-N 0 3 274.364 2.091 20 30 CEEDHN C[C@H](NCC(C)(C)OCCO)c1ccc(C#N)c(F)c1 ZINC000287429136 376229641 /nfs/dbraw/zinc/22/96/41/376229641.db2.gz STMOSZDCMLKXJR-NSHDSACASA-N 0 3 280.343 2.135 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@H](N)c1ccccc1CC ZINC000418652307 376317656 /nfs/dbraw/zinc/31/76/56/376317656.db2.gz MQUYUTLGBRPFOH-HNNXBMFYSA-N 0 3 275.396 2.466 20 30 CEEDHN N#CCCCOc1cccc(CN2CCC[C@@H](O)C2)c1 ZINC000305739007 376467214 /nfs/dbraw/zinc/46/72/14/376467214.db2.gz WXWQCOIYBNLNNW-OAHLLOKOSA-N 0 3 274.364 2.326 20 30 CEEDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000556826389 376497994 /nfs/dbraw/zinc/49/79/94/376497994.db2.gz IZQVZGOBFRTTJX-AWEZNQCLSA-N 0 3 289.354 2.254 20 30 CEEDHN C[C@@H](NC[C@H](O)COCC1CC1)c1ccc(C#N)c(F)c1 ZINC000305843642 376516098 /nfs/dbraw/zinc/51/60/98/376516098.db2.gz RWXQEZJQWDQYGF-ABAIWWIYSA-N 0 3 292.354 2.135 20 30 CEEDHN CN(C)[C@@H](CNc1nccnc1C#N)c1cccs1 ZINC000263912239 190084795 /nfs/dbraw/zinc/08/47/95/190084795.db2.gz SGJWOTNJHYPCGG-NSHDSACASA-N 0 3 273.365 2.125 20 30 CEEDHN C[C@@H](C(=O)N1CC[C@]2(CCN(C)C2)C1)c1cccc(C#N)c1 ZINC000334334942 206385951 /nfs/dbraw/zinc/38/59/51/206385951.db2.gz YXRAZWUTSVQQAJ-KDOFPFPSSA-N 0 3 297.402 2.216 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)NCC(C)(C)CCC#N ZINC000420853949 376726501 /nfs/dbraw/zinc/72/65/01/376726501.db2.gz YRGFZLOSIFHZKB-CYBMUJFWSA-N 0 3 280.416 2.052 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC000264468625 190111874 /nfs/dbraw/zinc/11/18/74/190111874.db2.gz IAJZRUHWSMMAQW-UHFFFAOYSA-N 0 3 298.390 2.252 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)CCN1C ZINC000313917632 376759661 /nfs/dbraw/zinc/75/96/61/376759661.db2.gz AGKNGLBMDAIKLQ-ONGXEEELSA-N 0 3 293.317 2.049 20 30 CEEDHN CC#CCN1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421027626 376790574 /nfs/dbraw/zinc/79/05/74/376790574.db2.gz TWBQYLZHBZZERY-CHWSQXEVSA-N 0 3 251.370 2.309 20 30 CEEDHN C=CCc1cc(CN2C[C@@H](O)CC[C@@H]2C)cc(OC)c1O ZINC000421380361 376801766 /nfs/dbraw/zinc/80/17/66/376801766.db2.gz VLJOUBPOIXWHAZ-WFASDCNBSA-N 0 3 291.391 2.475 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn2c(n1)CCCC2 ZINC000328705285 376882616 /nfs/dbraw/zinc/88/26/16/376882616.db2.gz LBUVVIWQKDTWMJ-DGCLKSJQSA-N 0 3 288.395 2.007 20 30 CEEDHN C[C@]1(CO)CCC[C@@H]1NC(=O)C1CCN(C2CC2)CC1 ZINC000328739730 376888769 /nfs/dbraw/zinc/88/87/69/376888769.db2.gz ICSTZSNFAVVBNA-GOEBONIOSA-N 0 3 280.412 2.368 20 30 CEEDHN O=C(N[C@H]1CCCC[C@@H]1O)C1CCN(C2CC2)CC1 ZINC000328743311 376889217 /nfs/dbraw/zinc/88/92/17/376889217.db2.gz JZMWBAVPNXJHJK-KBPBESRZSA-N 0 3 266.385 2.121 20 30 CEEDHN C[C@H](NC(=O)N1CCN2CCC1CC2)c1ccc(C#N)cc1 ZINC000334421076 206509575 /nfs/dbraw/zinc/50/95/75/206509575.db2.gz AVGUQKVQBORSJK-ZDUSSCGKSA-N 0 3 298.390 2.109 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000330591427 377194851 /nfs/dbraw/zinc/19/48/51/377194851.db2.gz QWNNPJOZEIMJGV-STQMWFEESA-N 0 3 281.400 2.047 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000291455604 377195425 /nfs/dbraw/zinc/19/54/25/377195425.db2.gz CUZDZNZXPKPBGJ-NSHDSACASA-N 0 3 288.313 2.408 20 30 CEEDHN CCN(CCOc1ccccc1C#N)C[C@H](C)OC ZINC000291258786 377144352 /nfs/dbraw/zinc/14/43/52/377144352.db2.gz ONXCPOGDHHRKSE-ZDUSSCGKSA-N 0 3 262.353 2.294 20 30 CEEDHN CC[C@H]1CCCN1CC(=O)NC(=O)Nc1ccccc1 ZINC000330506416 377164128 /nfs/dbraw/zinc/16/41/28/377164128.db2.gz HFXOZONFNCTNFT-ZDUSSCGKSA-N 0 3 275.352 2.223 20 30 CEEDHN C#CCN(C(=O)N[C@H](C)CN(C)Cc1ccccc1)C1CC1 ZINC000291836945 377212925 /nfs/dbraw/zinc/21/29/25/377212925.db2.gz NFYLDDQYMGJIEY-OAHLLOKOSA-N 0 3 299.418 2.314 20 30 CEEDHN C=C(CNC(=O)C1CCN(C)CC1)c1ccccc1 ZINC000291842705 377213265 /nfs/dbraw/zinc/21/32/65/377213265.db2.gz LWMGNPALRWQIBP-UHFFFAOYSA-N 0 3 258.365 2.158 20 30 CEEDHN C#CCSCCN[C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000292021839 377220311 /nfs/dbraw/zinc/22/03/11/377220311.db2.gz CKCIPJBDUHZBPP-CYBMUJFWSA-N 0 3 290.432 2.405 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000264863049 190139661 /nfs/dbraw/zinc/13/96/61/190139661.db2.gz MSNBOJQIBZCLIN-JTQLQIEISA-N 0 3 282.746 2.269 20 30 CEEDHN C[C@@]1(CO)CCC[C@H]1NCc1cc(C#N)ccc1F ZINC000331007403 377235851 /nfs/dbraw/zinc/23/58/51/377235851.db2.gz MCHKIHCBIBTMCO-CABCVRRESA-N 0 3 262.328 2.338 20 30 CEEDHN C=C(C)Cn1c(C2CC2)nnc1N1CCCN(CC)CC1 ZINC000292855767 377315976 /nfs/dbraw/zinc/31/59/76/377315976.db2.gz GOSSGTLIUHOQJW-UHFFFAOYSA-N 0 3 289.427 2.264 20 30 CEEDHN CC(C)(O)C(C)(C)NCc1ccc(C#N)c(F)c1 ZINC000331185173 377319046 /nfs/dbraw/zinc/31/90/46/377319046.db2.gz UIMQCRWQOUKRQK-UHFFFAOYSA-N 0 3 250.317 2.336 20 30 CEEDHN Cc1nccnc1CCNCc1ccc(C#N)s1 ZINC000292873543 377325367 /nfs/dbraw/zinc/32/53/67/377325367.db2.gz BNIGQHSJLHTONW-UHFFFAOYSA-N 0 3 258.350 2.051 20 30 CEEDHN N#CCCCC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425014965 377326260 /nfs/dbraw/zinc/32/62/60/377326260.db2.gz UWWVQWPPQWYCSY-DLBZAZTESA-N 0 3 297.402 2.413 20 30 CEEDHN C#CCN(C)CCCNc1ccc(Br)cn1 ZINC000292821438 377298009 /nfs/dbraw/zinc/29/80/09/377298009.db2.gz OYAGTCDSJSHZNE-UHFFFAOYSA-N 0 3 282.185 2.211 20 30 CEEDHN C#CCN(C)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000292964177 377372824 /nfs/dbraw/zinc/37/28/24/377372824.db2.gz MHGQOZSLBJAGMG-KRWDZBQOSA-N 0 3 299.418 2.172 20 30 CEEDHN C[C@H](C(=O)NCCc1cccc(C#N)c1)N1CCCCCC1 ZINC000331457606 377434974 /nfs/dbraw/zinc/43/49/74/377434974.db2.gz MKEJHEUZUIKCQK-OAHLLOKOSA-N 0 3 299.418 2.481 20 30 CEEDHN CN(C)Cc1cccc(C(=O)N[C@]2(C#N)CC2(C)C)c1 ZINC000427895674 377464189 /nfs/dbraw/zinc/46/41/89/377464189.db2.gz UFFSROMNUTUVTO-INIZCTEOSA-N 0 3 271.364 2.170 20 30 CEEDHN C#CCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000265057912 190155183 /nfs/dbraw/zinc/15/51/83/190155183.db2.gz LHORCWQNIMSGBW-MRXNPFEDSA-N 0 3 285.391 2.146 20 30 CEEDHN CN1CCC[C@H](CNC(=O)N2CCC(CCC#N)CC2)C1 ZINC000564899125 377495058 /nfs/dbraw/zinc/49/50/58/377495058.db2.gz QVLKWAGFNHIONN-OAHLLOKOSA-N 0 3 292.427 2.054 20 30 CEEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(-n2cnnn2)cc1 ZINC000430740456 377547705 /nfs/dbraw/zinc/54/77/05/377547705.db2.gz KPFSLOAEYZTXHV-GFCCVEGCSA-N 0 3 282.351 2.007 20 30 CEEDHN CC(C)[C@@H](C#N)NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000565200964 377602741 /nfs/dbraw/zinc/60/27/41/377602741.db2.gz ZRSVAKYPGOARLW-JKSUJKDBSA-N 0 3 285.391 2.173 20 30 CEEDHN COc1cc(CN[C@@H]2COCC2(C)C)ccc1C#N ZINC000313030144 249377270 /nfs/dbraw/zinc/37/72/70/249377270.db2.gz XGHLFZNUAQJKLS-CQSZACIVSA-N 0 3 260.337 2.081 20 30 CEEDHN C[C@@H](Cn1cccn1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433223087 377782700 /nfs/dbraw/zinc/78/27/00/377782700.db2.gz MELQMBKUXMIMIY-GOEBONIOSA-N 0 3 296.374 2.160 20 30 CEEDHN C=CCCCCCNC(=O)N1CCCN(C)CC1 ZINC000566434436 377760788 /nfs/dbraw/zinc/76/07/88/377760788.db2.gz VNPNYXPGBSPPAW-UHFFFAOYSA-N 0 3 253.390 2.080 20 30 CEEDHN CC[C@H](C)CN1CCN(c2cnccc2C#N)CC1 ZINC000566833031 377772884 /nfs/dbraw/zinc/77/28/84/377772884.db2.gz GHHIUABLLUODJH-ZDUSSCGKSA-N 0 3 258.369 2.121 20 30 CEEDHN C[C@@H]1CCN(CC(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000567178038 377810653 /nfs/dbraw/zinc/81/06/53/377810653.db2.gz UYSJKPQFYAQZKP-GDBMZVCRSA-N 0 3 285.391 2.489 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(OC)cc(C)n1 ZINC000435744838 377811444 /nfs/dbraw/zinc/81/14/44/377811444.db2.gz ZOFKXGKVSHKKGT-CZUORRHYSA-N 0 3 276.380 2.469 20 30 CEEDHN C=CCN1CCC(NCc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433312323 377787881 /nfs/dbraw/zinc/78/78/81/377787881.db2.gz QFIPMGCEHWQUGO-UHFFFAOYSA-N 0 3 286.379 2.410 20 30 CEEDHN CC(C)(O)C(C)(C)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566976368 377790440 /nfs/dbraw/zinc/79/04/40/377790440.db2.gz QATMTGJTTITTMU-UHFFFAOYSA-N 0 3 277.324 2.106 20 30 CEEDHN C=CCCCCNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000433892560 377793515 /nfs/dbraw/zinc/79/35/15/377793515.db2.gz ZROZGGATLZBPFZ-UHFFFAOYSA-N 0 3 296.436 2.383 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439468029 377927847 /nfs/dbraw/zinc/92/78/47/377927847.db2.gz KEZRWYJTRRTCGX-XJKSGUPXSA-N 0 3 263.381 2.454 20 30 CEEDHN CC(C)(C)OC(=O)CN[C@]1(C)CCN(CCCCC#N)C1 ZINC000440506981 377930314 /nfs/dbraw/zinc/93/03/14/377930314.db2.gz KNNQDQJBDFSYMR-MRXNPFEDSA-N 0 3 295.427 2.076 20 30 CEEDHN CCCCN(C)CCNC(=O)NCC1CCC(C#N)CC1 ZINC000440994925 377932825 /nfs/dbraw/zinc/93/28/25/377932825.db2.gz ZQEFPAGHIZFVHI-UHFFFAOYSA-N 0 3 294.443 2.347 20 30 CEEDHN C[C@@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)[C@@H]1C ZINC000265983645 190220673 /nfs/dbraw/zinc/22/06/73/190220673.db2.gz GHZIWMBNOKMGMK-ZIAGYGMSSA-N 0 3 285.391 2.295 20 30 CEEDHN CN(C)C(=O)C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442799246 377997128 /nfs/dbraw/zinc/99/71/28/377997128.db2.gz ZSLRSLSGQKZIDP-IMJJTQAJSA-N 0 3 285.391 2.488 20 30 CEEDHN Cc1ccc2c(CCNC(=O)C(C)C#N)cn(C)c2c1 ZINC000444520392 378076830 /nfs/dbraw/zinc/07/68/30/378076830.db2.gz BHABYQVISOLPJG-LBPRGKRZSA-N 0 3 269.348 2.305 20 30 CEEDHN C=CC[C@@H]1N(CC(=O)NC2CCOCC2)CCCC1(C)C ZINC000444775811 378079686 /nfs/dbraw/zinc/07/96/86/378079686.db2.gz APRXNDQNTYAYBH-HNNXBMFYSA-N 0 3 294.439 2.348 20 30 CEEDHN CC(C)[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000444770977 378079763 /nfs/dbraw/zinc/07/97/63/378079763.db2.gz NEJJRMRZSINYFQ-CZUORRHYSA-N 0 3 277.412 2.163 20 30 CEEDHN C=CC[C@H]1N(CC(=O)NC2CC2)CCCC1(C)C ZINC000444781473 378080613 /nfs/dbraw/zinc/08/06/13/378080613.db2.gz PDBFAYWBPOBWKF-CYBMUJFWSA-N 0 3 250.386 2.332 20 30 CEEDHN C[C@H](CNC(=O)[C@]1(C#N)C[C@H]1C)N(C)Cc1ccccc1 ZINC000448954022 378194698 /nfs/dbraw/zinc/19/46/98/378194698.db2.gz IWMJVEHKNAIWJZ-CPUCHLNUSA-N 0 3 285.391 2.173 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCSC2)CC1 ZINC000448010147 378167834 /nfs/dbraw/zinc/16/78/34/378167834.db2.gz MEIQRFPVUHUUSL-CYBMUJFWSA-N 0 3 297.468 2.079 20 30 CEEDHN C=CC(C)(C)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000450118765 378299661 /nfs/dbraw/zinc/29/96/61/378299661.db2.gz BBKDIGFBUPRHNL-KBPBESRZSA-N 0 3 282.428 2.204 20 30 CEEDHN CCC1(CC)CN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000295894498 378345301 /nfs/dbraw/zinc/34/53/01/378345301.db2.gz GJGRCBMETAEZHM-OAHLLOKOSA-N 0 3 288.391 2.420 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(Cl)cc1 ZINC000296489326 378550528 /nfs/dbraw/zinc/55/05/28/378550528.db2.gz FJHGKTFCQNPIBS-UHFFFAOYSA-N 0 3 293.798 2.094 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000296785603 378648889 /nfs/dbraw/zinc/64/88/89/378648889.db2.gz HDPVRPWYMFHRLZ-HNNXBMFYSA-N 0 3 287.407 2.344 20 30 CEEDHN COc1ccc(CNC[C@H](O)Cc2ccccc2)cc1C#N ZINC000266221509 190241133 /nfs/dbraw/zinc/24/11/33/190241133.db2.gz RLPHFEMLBXHRKG-QGZVFWFLSA-N 0 3 296.370 2.260 20 30 CEEDHN CC[C@@H](NCCC(=O)N(C)C)c1ccc(C#N)cc1 ZINC000278675717 194097396 /nfs/dbraw/zinc/09/73/96/194097396.db2.gz JNXHHSSPVYPXCR-CQSZACIVSA-N 0 3 259.353 2.077 20 30 CEEDHN COC[C@H](N[C@H](C)c1cccc(C#N)c1)[C@H]1CCCO1 ZINC000278703558 194111930 /nfs/dbraw/zinc/11/19/30/194111930.db2.gz JQPAYSZTAPSZEQ-UHOFOFEASA-N 0 3 274.364 2.403 20 30 CEEDHN COc1ccc([C@H]2C[C@H](NC(=O)C(C)C#N)C2)cc1F ZINC000506315712 379091431 /nfs/dbraw/zinc/09/14/31/379091431.db2.gz FNGRZOLCRCLMSJ-YUSALJHKSA-N 0 3 276.311 2.356 20 30 CEEDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1ccc(C#N)cn1 ZINC000515308264 379203776 /nfs/dbraw/zinc/20/37/76/379203776.db2.gz IGMYMCXEZKDZPL-CJNGLKHVSA-N 0 3 273.380 2.469 20 30 CEEDHN CN1CCN(Cc2ccc(F)cc2C#N)C(C)(C)C1 ZINC000347595524 218284242 /nfs/dbraw/zinc/28/42/42/218284242.db2.gz GQEHYXTYGLSOSY-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN Cc1ccc(NCCN2CC=C(C)CC2)nc1C#N ZINC000302737874 379439821 /nfs/dbraw/zinc/43/98/21/379439821.db2.gz BQEZCJDFUUUSEW-UHFFFAOYSA-N 0 3 256.353 2.326 20 30 CEEDHN N#Cc1cccc(C#N)c1NC1CCN(C2CC2)CC1 ZINC000302864826 379465312 /nfs/dbraw/zinc/46/53/12/379465312.db2.gz XSGDETULTBUFMG-UHFFFAOYSA-N 0 3 266.348 2.469 20 30 CEEDHN C[C@H]1c2c(F)cccc2CCN1C(=O)[C@H](N)CCCC#N ZINC000520794634 379504727 /nfs/dbraw/zinc/50/47/27/379504727.db2.gz HALANENOMIOAGQ-SMDDNHRTSA-N 0 3 289.354 2.293 20 30 CEEDHN C#CCN(C[C@@H](O)COC(C)C)[C@@H]1CCc2ccccc21 ZINC000304520711 379584830 /nfs/dbraw/zinc/58/48/30/379584830.db2.gz XFYSQLXKBKLTJW-SJLPKXTDSA-N 0 3 287.403 2.395 20 30 CEEDHN C[C@H]1CCCN(CCOc2ccccc2C#N)[C@H]1CO ZINC000305202748 379684034 /nfs/dbraw/zinc/68/40/34/379684034.db2.gz WQQLAADNMIAYOF-ZFWWWQNUSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@@H]1CCCN(CCOc2ccc(C#N)cc2)[C@H]1CO ZINC000305185596 379676283 /nfs/dbraw/zinc/67/62/83/379676283.db2.gz PIYOMFQBYVHCDN-CJNGLKHVSA-N 0 3 274.364 2.030 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)CCc1ccc(C#N)cc1 ZINC000347774134 218352529 /nfs/dbraw/zinc/35/25/29/218352529.db2.gz IPTNQDUSTQMKBA-KRWDZBQOSA-N 0 3 299.418 2.481 20 30 CEEDHN C=CCC1(NC(=O)NCCOCCN(C)C)CCCCC1 ZINC000458685394 380055307 /nfs/dbraw/zinc/05/53/07/380055307.db2.gz FTMFRGAMESKPOT-UHFFFAOYSA-N 0 3 297.443 2.143 20 30 CEEDHN CN(CCC#N)C1CCN(CCC(F)(F)F)CC1 ZINC000487953656 380090068 /nfs/dbraw/zinc/09/00/68/380090068.db2.gz RPIZOAGASQPBLD-UHFFFAOYSA-N 0 3 263.307 2.249 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)/C=C/c2ccc(C#N)cc2)CN1C1CC1 ZINC000267944882 190364339 /nfs/dbraw/zinc/36/43/39/190364339.db2.gz HYZMLRHWHZUINO-QTPKMNKOSA-N 0 3 295.386 2.313 20 30 CEEDHN CCC(C#N)(CC)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000528653123 380042086 /nfs/dbraw/zinc/04/20/86/380042086.db2.gz VRSWUJDIEWMEPC-STQMWFEESA-N 0 3 265.401 2.257 20 30 CEEDHN CC1CC(C#N)(C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000530022260 380192794 /nfs/dbraw/zinc/19/27/94/380192794.db2.gz DUMJKWBPUCSAOM-CXOJTPOUSA-N 0 3 275.396 2.059 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530027661 380192927 /nfs/dbraw/zinc/19/29/27/380192927.db2.gz MTZHXSUTKSCDNY-HIFRSBDPSA-N 0 3 263.385 2.059 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530028325 380193033 /nfs/dbraw/zinc/19/30/33/380193033.db2.gz OCBBGPZTHHGKOA-ARFHVFGLSA-N 0 3 292.423 2.101 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000334226520 380257498 /nfs/dbraw/zinc/25/74/98/380257498.db2.gz FOSPWUQYNIZWRF-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000532325585 380213566 /nfs/dbraw/zinc/21/35/66/380213566.db2.gz GEMYKXNSNQJJQK-ZDUSSCGKSA-N 0 3 250.386 2.213 20 30 CEEDHN C=CCC[C@H](O)CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000543505303 380326803 /nfs/dbraw/zinc/32/68/03/380326803.db2.gz PJMJNABNZUGUJV-JSGCOSHPSA-N 0 3 251.374 2.442 20 30 CEEDHN C#CCN(C)CCCNC(=S)Nc1cccc(CC)c1 ZINC000491299198 380299558 /nfs/dbraw/zinc/29/95/58/380299558.db2.gz YUNRKYGENQDBSG-UHFFFAOYSA-N 0 3 289.448 2.491 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000544585239 380357783 /nfs/dbraw/zinc/35/77/83/380357783.db2.gz QHYMHEPBBZVLMT-DDTOSNHZSA-N 0 3 276.311 2.322 20 30 CEEDHN CN(C(=O)C1CCN(C2CC2)CC1)c1ccccc1C#N ZINC000279088358 194278470 /nfs/dbraw/zinc/27/84/70/194278470.db2.gz VZBGPRRGSBPYDO-UHFFFAOYSA-N 0 3 283.375 2.395 20 30 CEEDHN CC1(C)SC[C@@H]1NCc1cnc2ccc(C#N)cn12 ZINC000549268225 380597254 /nfs/dbraw/zinc/59/72/54/380597254.db2.gz MQEYWYQXVHUILE-LBPRGKRZSA-N 0 3 272.377 2.190 20 30 CEEDHN C[C@@H]1CCN(CCNC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000552068759 380681217 /nfs/dbraw/zinc/68/12/17/380681217.db2.gz KVRIBKCVHJPPTB-LLVKDONJSA-N 0 3 291.782 2.283 20 30 CEEDHN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(C)C#N ZINC000493034744 380771545 /nfs/dbraw/zinc/77/15/45/380771545.db2.gz GLBNVYBSVSJCMZ-NEPJUHHUSA-N 0 3 297.399 2.202 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000334761071 207031536 /nfs/dbraw/zinc/03/15/36/207031536.db2.gz YPPYIFYLVDELDF-AWEZNQCLSA-N 0 3 289.354 2.252 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)/C=C/CN(C)C ZINC000493493680 381019816 /nfs/dbraw/zinc/01/98/16/381019816.db2.gz ZWYUDGNOAOVLBU-PPGNKHEKSA-N 0 3 271.364 2.195 20 30 CEEDHN C#CC(C)(C)N(C)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000279328279 194387836 /nfs/dbraw/zinc/38/78/36/194387836.db2.gz SXNRTGMYZQSHJR-ZDUSSCGKSA-N 0 3 286.375 2.251 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000494256303 381155667 /nfs/dbraw/zinc/15/56/67/381155667.db2.gz IHGWDBAOXHQXKD-QKPAOTATSA-N 0 3 294.439 2.204 20 30 CEEDHN CCOC(=O)N(C)C1CCN(CCC(C)(C)C#N)CC1 ZINC000494524257 381158700 /nfs/dbraw/zinc/15/87/00/381158700.db2.gz POIXDNVSTSVHCF-UHFFFAOYSA-N 0 3 281.400 2.479 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2CC2(C)C)CC1 ZINC000494875005 381164619 /nfs/dbraw/zinc/16/46/19/381164619.db2.gz RYCZGGSMZTWSBF-CYBMUJFWSA-N 0 3 265.401 2.077 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000495995531 381192010 /nfs/dbraw/zinc/19/20/10/381192010.db2.gz UXYZCSWHRDRJBW-QJPTWQEYSA-N 0 3 295.383 2.050 20 30 CEEDHN C=CCCN1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496306084 381206759 /nfs/dbraw/zinc/20/67/59/381206759.db2.gz LTSRXNCPVZQSJD-ZDUSSCGKSA-N 0 3 284.400 2.178 20 30 CEEDHN CCC(C=Nn1cnnc1)(CC)CNC(=O)OC(C)(C)C ZINC000496624544 381221627 /nfs/dbraw/zinc/22/16/27/381221627.db2.gz QABBYHXFZIYGSY-UHFFFAOYSA-N 0 3 295.387 2.443 20 30 CEEDHN C#CCCCN1CCCC[C@@H]1COC(=O)N(C)CC ZINC000496796256 381227638 /nfs/dbraw/zinc/22/76/38/381227638.db2.gz OJGSZASYDMIVCC-CQSZACIVSA-N 0 3 266.385 2.343 20 30 CEEDHN N#Cc1csc(CN[C@H]2CCCC(F)(F)[C@@H]2O)c1 ZINC000334843203 207172456 /nfs/dbraw/zinc/17/24/56/207172456.db2.gz NMWZGGBOMPXISR-WDEREUQCSA-N 0 3 272.320 2.258 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N(C)CC1(N(C)C)CCC1 ZINC000280889579 195015619 /nfs/dbraw/zinc/01/56/19/195015619.db2.gz PXWPMHKGJQMWEI-UHFFFAOYSA-N 0 3 275.352 2.016 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccc2ccccc2n1 ZINC000347042245 533113913 /nfs/dbraw/zinc/11/39/13/533113913.db2.gz UMAOENFZWTZCHK-NSHDSACASA-N 0 3 253.305 2.053 20 30 CEEDHN COc1ccc([C@H]2CCN(C(=O)C(C)C#N)C2)cc1 ZINC000336002060 533206903 /nfs/dbraw/zinc/20/69/03/533206903.db2.gz SPWJGDJZNQQSEB-YPMHNXCESA-N 0 3 258.321 2.171 20 30 CEEDHN CO[C@@H]1CCN(CCOc2ccccc2C#N)[C@H](C)C1 ZINC000281770342 195374761 /nfs/dbraw/zinc/37/47/61/195374761.db2.gz SIQNFZLUTIAPPZ-UKRRQHHQSA-N 0 3 274.364 2.436 20 30 CEEDHN COc1ccc2c(c1)CCC[C@H]2CNC(=O)C(C)C#N ZINC000344784328 533251793 /nfs/dbraw/zinc/25/17/93/533251793.db2.gz YSSNLWJZVCANAT-AAEUAGOBSA-N 0 3 272.348 2.391 20 30 CEEDHN C[C@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccc(C#N)cc1 ZINC000417117194 533611088 /nfs/dbraw/zinc/61/10/88/533611088.db2.gz RTXQACDCGRZAJC-AGIUHOORSA-N 0 3 286.379 2.011 20 30 CEEDHN C[C@H]1C[C@H](Nc2ncc(C#N)cc2F)CN1C1CC1 ZINC000413188515 394501344 /nfs/dbraw/zinc/50/13/44/394501344.db2.gz UWKHDVHBTNTVFL-ONGXEEELSA-N 0 3 260.316 2.129 20 30 CEEDHN COCCN(Cc1ccc(C#N)cc1)[C@@H]1CCO[C@H]1C ZINC000355693098 394503779 /nfs/dbraw/zinc/50/37/79/394503779.db2.gz SUDWJYFYECTMTI-XJKSGUPXSA-N 0 3 274.364 2.184 20 30 CEEDHN C[C@H](CC1CC1)[NH+]=C([O-])NC[C@H]1CCc2nccn2C1 ZINC000329901098 394593320 /nfs/dbraw/zinc/59/33/20/394593320.db2.gz OHRZQWDQMUYXCP-DGCLKSJQSA-N 0 3 276.384 2.138 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)c2cnc3nccnc3c2)C1 ZINC000329529166 394571056 /nfs/dbraw/zinc/57/10/56/394571056.db2.gz SZXWBZTUQMOVLZ-LBPRGKRZSA-N 0 3 299.378 2.061 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2ocnc2C2CC2)CCN1C ZINC000329645396 394579181 /nfs/dbraw/zinc/57/91/81/394579181.db2.gz ATOLOMUOQDKCJS-KOLCDFICSA-N 0 3 263.341 2.339 20 30 CEEDHN CCc1nnc(C)cc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000329803391 394586150 /nfs/dbraw/zinc/58/61/50/394586150.db2.gz ZQGOSPRGAFBTRX-VXGBXAGGSA-N 0 3 276.384 2.135 20 30 CEEDHN C[C@H](C(=O)N[C@H]1CCc2c[nH]nc2C1)N1CCCCCC1 ZINC000329841559 394589107 /nfs/dbraw/zinc/58/91/07/394589107.db2.gz KDLFPFIKRBOOAY-OCCSQVGLSA-N 0 3 290.411 2.488 20 30 CEEDHN CCC[C@@H]1CCCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000248564345 394543260 /nfs/dbraw/zinc/54/32/60/394543260.db2.gz DOLUHDDUYDAVKV-GDBMZVCRSA-N 0 3 277.412 2.449 20 30 CEEDHN COc1ccnc(CC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000329874428 394591419 /nfs/dbraw/zinc/59/14/19/394591419.db2.gz FRKXJFKSYFXHMU-DGCLKSJQSA-N 0 3 289.379 2.214 20 30 CEEDHN CN(CCC#N)C(=O)CCNC1(c2ccccc2)CCC1 ZINC000092802584 394663182 /nfs/dbraw/zinc/66/31/82/394663182.db2.gz JFHFTEDQUXNTQL-UHFFFAOYSA-N 0 3 285.391 2.418 20 30 CEEDHN C[C@@H]1OCCN(C(=O)C(C#N)CCc2ccccc2)[C@H]1C ZINC000330453411 394611359 /nfs/dbraw/zinc/61/13/59/394611359.db2.gz LIQUNSLMVVWSGQ-OFQRWUPVSA-N 0 3 286.375 2.395 20 30 CEEDHN CCN1CCC[C@H](NC(=O)NCc2ccc(OC)cc2)C1 ZINC000330474298 394613818 /nfs/dbraw/zinc/61/38/18/394613818.db2.gz HISNKWUXRBIIGK-AWEZNQCLSA-N 0 3 291.395 2.183 20 30 CEEDHN CCCCNC(=O)NC(=O)CN1CCC[C@H]1C(C)(C)C ZINC000330619352 394622767 /nfs/dbraw/zinc/62/27/67/394622767.db2.gz IKNLOHJDAIYODZ-LBPRGKRZSA-N 0 3 283.416 2.327 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)NCCc1cccc(C#N)c1 ZINC000331003772 394627009 /nfs/dbraw/zinc/62/70/09/394627009.db2.gz RVDYMWMMPADASB-KBPBESRZSA-N 0 3 285.391 2.090 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(CC#N)cc1 ZINC000270432558 394732781 /nfs/dbraw/zinc/73/27/81/394732781.db2.gz OSWNBOMDTCWRAT-MRXNPFEDSA-N 0 3 285.391 2.357 20 30 CEEDHN CC(C#N)C(=O)N(Cc1cccc(O)c1)CC1CC1 ZINC000359125113 394742409 /nfs/dbraw/zinc/74/24/09/394742409.db2.gz MCEMCIYULWCHDI-LLVKDONJSA-N 0 3 258.321 2.290 20 30 CEEDHN CN1CC[C@@H]2CN(c3ccc(Cl)cc3C#N)C[C@@H]21 ZINC000335218078 394749382 /nfs/dbraw/zinc/74/93/82/394749382.db2.gz XMHWJHQKOOVEBY-YGRLFVJLSA-N 0 3 261.756 2.352 20 30 CEEDHN CCN1CCCN(c2nc(C)cc(C)c2C#N)CC1 ZINC000267199550 394674073 /nfs/dbraw/zinc/67/40/73/394674073.db2.gz JDGFTOGTTWDILH-UHFFFAOYSA-N 0 3 258.369 2.102 20 30 CEEDHN CC[C@@H](NCc1cccc(C#N)c1)[C@@H](O)C(F)(F)F ZINC000271041742 394745111 /nfs/dbraw/zinc/74/51/11/394745111.db2.gz ZUUNAGJSTLRMCY-VXGBXAGGSA-N 0 3 272.270 2.350 20 30 CEEDHN COCC[C@@H](C)O/N=C/c1ccc(N2CCOCC2)cc1 ZINC000268020441 394687393 /nfs/dbraw/zinc/68/73/93/394687393.db2.gz VHXGNHUWLYMRGC-INQVIGDZSA-N 0 3 292.379 2.299 20 30 CEEDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1cc(F)ccc1C#N ZINC000357049558 394693521 /nfs/dbraw/zinc/69/35/21/394693521.db2.gz XSEVGDCWEQZTHH-NWDGAFQWSA-N 0 3 261.344 2.222 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000334511048 394693841 /nfs/dbraw/zinc/69/38/41/394693841.db2.gz DZYKGMSFDQUSNU-MRXNPFEDSA-N 0 3 279.428 2.326 20 30 CEEDHN C=C(CC)CN1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000358512389 394723869 /nfs/dbraw/zinc/72/38/69/394723869.db2.gz SEXBUFALUDZPEY-AWEZNQCLSA-N 0 3 252.402 2.138 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N(C)C[C@@H]1CCCN1C ZINC000335241556 394751798 /nfs/dbraw/zinc/75/17/98/394751798.db2.gz PYKCSEAPQKOADK-AWEZNQCLSA-N 0 3 286.379 2.425 20 30 CEEDHN CN(C(=O)C1(C#N)CCCCC1)[C@@H]1CCN(C2CC2)C1 ZINC000335313010 394758692 /nfs/dbraw/zinc/75/86/92/394758692.db2.gz IOCRROKIOVSOQD-CQSZACIVSA-N 0 3 275.396 2.156 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(CC(N)=O)CC1 ZINC000118393474 394760444 /nfs/dbraw/zinc/76/04/44/394760444.db2.gz UKKROXBHMVHOGK-LBPRGKRZSA-N 0 3 271.364 2.207 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359563020 394761777 /nfs/dbraw/zinc/76/17/77/394761777.db2.gz SBMIDVNXSCSFHF-VNHYZAJKSA-N 0 3 250.386 2.189 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359569509 394762663 /nfs/dbraw/zinc/76/26/63/394762663.db2.gz YWGXAKHXZMOGFV-YCPHGPKFSA-N 0 3 277.412 2.259 20 30 CEEDHN C=CCC[C@H](O)CN[C@@H](CO)c1ccc(CC)cc1 ZINC000359630950 394766025 /nfs/dbraw/zinc/76/60/25/394766025.db2.gz YPXVFEGHOVRICZ-HOTGVXAUSA-N 0 3 263.381 2.199 20 30 CEEDHN CC[C@@H](C(=O)N(C[C@@H](C)C#N)C1CC1)N(CC)CC ZINC000359688711 394772639 /nfs/dbraw/zinc/77/26/39/394772639.db2.gz ZRDHXHQNSAJGSX-JSGCOSHPSA-N 0 3 265.401 2.257 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc(C#N)cc2)C1 ZINC000335578931 394776924 /nfs/dbraw/zinc/77/69/24/394776924.db2.gz JZXAVMMVDQTKEJ-HNNXBMFYSA-N 0 3 271.364 2.113 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC[C@H]2Cc2ccccc2)C1=O ZINC000281907901 394872768 /nfs/dbraw/zinc/87/27/68/394872768.db2.gz GFSOWWOMOOXZNN-DLBZAZTESA-N 0 3 284.403 2.480 20 30 CEEDHN C=CCN1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000363481823 394877755 /nfs/dbraw/zinc/87/77/55/394877755.db2.gz LGGLBSACEXXQJP-AWEZNQCLSA-N 0 3 250.386 2.287 20 30 CEEDHN COc1cccc(C2=CCN(C(=O)C(C)C#N)C2)c1 ZINC000336381952 394849356 /nfs/dbraw/zinc/84/93/56/394849356.db2.gz KITPYNGZEMUYGH-LLVKDONJSA-N 0 3 256.305 2.080 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)CC(C)(C)C#N ZINC000339258910 394954378 /nfs/dbraw/zinc/95/43/78/394954378.db2.gz ZXSSLSGESVMTHC-LBPRGKRZSA-N 0 3 253.390 2.019 20 30 CEEDHN Cc1ccsc1[C@H](CO)N[C@H]1CC[C@@H](C#N)C1 ZINC000339093003 394942076 /nfs/dbraw/zinc/94/20/76/394942076.db2.gz ZWZDIGHEFGRBIK-WOPDTQHZSA-N 0 3 250.367 2.372 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@](C)(OC)CC1 ZINC000366487818 394946355 /nfs/dbraw/zinc/94/63/55/394946355.db2.gz NOZCXCIZADMOIQ-INIZCTEOSA-N 0 3 282.428 2.302 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)C1 ZINC000339192023 394950485 /nfs/dbraw/zinc/95/04/85/394950485.db2.gz IAYQNSRDRBZECM-WISYIIOYSA-N 0 3 276.302 2.171 20 30 CEEDHN COC(=O)[C@]1(c2ccccc2)CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339210601 394952590 /nfs/dbraw/zinc/95/25/90/394952590.db2.gz NAWIMTBXGALTBQ-YXJHDRRASA-N 0 3 298.386 2.495 20 30 CEEDHN C=CCOc1ccc(CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC000285926983 394986592 /nfs/dbraw/zinc/98/65/92/394986592.db2.gz LXVHBSXUJOJGHO-MRXNPFEDSA-N 0 3 290.407 2.454 20 30 CEEDHN Cc1cc(C#N)nc(NC[C@H](C)N2CCC[C@@H](C)C2)n1 ZINC000286080402 395009436 /nfs/dbraw/zinc/00/94/36/395009436.db2.gz JRUJABKHFVTWHH-YPMHNXCESA-N 0 3 273.384 2.189 20 30 CEEDHN CC(C)[C@@H](C#N)NC(=O)CCN1CCc2ccccc2C1 ZINC000416157397 395023764 /nfs/dbraw/zinc/02/37/64/395023764.db2.gz IMAVJALZEOKMBZ-MRXNPFEDSA-N 0 3 285.391 2.099 20 30 CEEDHN C=C(C)[C@H](CC(=O)NC1CCN(C2CC2)CC1)OCC ZINC000339435776 394960222 /nfs/dbraw/zinc/96/02/22/394960222.db2.gz COQTXKDHXUMPHI-HNNXBMFYSA-N 0 3 280.412 2.101 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)c1c[nH]c(C#N)c1 ZINC000285888355 394978710 /nfs/dbraw/zinc/97/87/10/394978710.db2.gz ZCINZXXDKHCTIN-UHFFFAOYSA-N 0 3 288.395 2.224 20 30 CEEDHN CC1(O)C[C@H]2CC[C@@H](C1)N2CC#Cc1ccccc1 ZINC000373810065 395066274 /nfs/dbraw/zinc/06/62/74/395066274.db2.gz AKGPFKQBYLTHCN-SJPCQFCGSA-N 0 3 255.361 2.416 20 30 CEEDHN CCCCN(CC)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345799138 395078580 /nfs/dbraw/zinc/07/85/80/395078580.db2.gz YLAZTLXPDPVZBT-GFCCVEGCSA-N 0 3 251.374 2.059 20 30 CEEDHN C#C[C@@H](NCc1ccc(O[C@@H](C)C(=O)OC)cc1)C(C)C ZINC000289518757 395079528 /nfs/dbraw/zinc/07/95/28/395079528.db2.gz PDQYAUVVCXIZGY-XJKSGUPXSA-N 0 3 289.375 2.374 20 30 CEEDHN N#CC1(c2ccccn2)CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000374296616 395079685 /nfs/dbraw/zinc/07/96/85/395079685.db2.gz WZCFQQWGUDYGDJ-CABCVRRESA-N 0 3 285.391 2.242 20 30 CEEDHN C[C@H](N[C@H]1CC(=O)N2CCCC[C@@H]12)c1cccc(C#N)c1 ZINC000374585792 395084144 /nfs/dbraw/zinc/08/41/44/395084144.db2.gz PSIRUJLJYKXOLF-RCBQFDQVSA-N 0 3 283.375 2.362 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@H](O)CN(C)C1CC1 ZINC000289710661 395084542 /nfs/dbraw/zinc/08/45/42/395084542.db2.gz GIHMEZKGLVBZIO-QGZVFWFLSA-N 0 3 274.408 2.130 20 30 CEEDHN CCO[C@@H](C)c1nc(CN(C)C(=O)C(C)C#N)cs1 ZINC000346225353 395091903 /nfs/dbraw/zinc/09/19/03/395091903.db2.gz UDHGGHSQHDBUFO-UWVGGRQHSA-N 0 3 281.381 2.359 20 30 CEEDHN C#Cc1ccccc1CC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000290050465 395093240 /nfs/dbraw/zinc/09/32/40/395093240.db2.gz MHERHFPJBZFELK-YOEHRIQHSA-N 0 3 284.403 2.009 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2csc(CC)n2)CC1 ZINC000171714829 395097085 /nfs/dbraw/zinc/09/70/85/395097085.db2.gz MYHRYUKTQFMQEN-UHFFFAOYSA-N 0 3 293.436 2.015 20 30 CEEDHN C=C[C@@H](CC(=O)N[C@@H](C)CN(C)C)c1ccccc1 ZINC000286862658 395030671 /nfs/dbraw/zinc/03/06/71/395030671.db2.gz CHMAFMLXWFJXQR-KBPBESRZSA-N 0 3 260.381 2.413 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](CC)N(C)C ZINC000287222640 395036407 /nfs/dbraw/zinc/03/64/07/395036407.db2.gz ITQYMCXFUCCHAG-HOTGVXAUSA-N 0 3 272.392 2.077 20 30 CEEDHN C#CCCCCC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372408001 395041531 /nfs/dbraw/zinc/04/15/31/395041531.db2.gz DWQMMYUVXLFDHC-WMZOPIPTSA-N 0 3 299.418 2.384 20 30 CEEDHN C=CCOc1ccc(OC[C@H](O)CN(C)C2CC2)cc1 ZINC000290829323 395117817 /nfs/dbraw/zinc/11/78/17/395117817.db2.gz UKYGMCHCLJOCNK-CQSZACIVSA-N 0 3 277.364 2.085 20 30 CEEDHN CC(C)[C@@H](CC(F)(F)F)NCC(=O)NC1(C#N)CCC1 ZINC000347154706 395120501 /nfs/dbraw/zinc/12/05/01/395120501.db2.gz BMBBXMUIHAPTAR-SNVBAGLBSA-N 0 3 291.317 2.115 20 30 CEEDHN C=CCNC(=O)CN1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000347577253 395126572 /nfs/dbraw/zinc/12/65/72/395126572.db2.gz HDDJQNHQLAWGCT-STQMWFEESA-N 0 3 252.402 2.435 20 30 CEEDHN COC(=O)N1CCC[C@@H]([C@@H](C)NCc2ccc(C#N)o2)C1 ZINC000495536730 395150241 /nfs/dbraw/zinc/15/02/41/395150241.db2.gz BWTWSSYNKIUTSS-VXGBXAGGSA-N 0 3 291.351 2.108 20 30 CEEDHN CN(CCCNC(=O)C1CCC1)Cc1ccc(C#N)cc1 ZINC000429532642 395158880 /nfs/dbraw/zinc/15/88/80/395158880.db2.gz VEKZZWAVHJVOQP-UHFFFAOYSA-N 0 3 285.391 2.296 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(C#N)o1 ZINC000429801463 395158304 /nfs/dbraw/zinc/15/83/04/395158304.db2.gz MBTHYDNRUUMWGX-NEPJUHHUSA-N 0 3 275.352 2.001 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CC[C@H](c2ccc(CC)cc2)C1 ZINC000293404779 395232450 /nfs/dbraw/zinc/23/24/50/395232450.db2.gz RPSNXPMZULVJJR-YOEHRIQHSA-N 0 3 284.403 2.176 20 30 CEEDHN C=CCSCCNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000351804320 395233669 /nfs/dbraw/zinc/23/36/69/395233669.db2.gz RVANBWQHGCVUDZ-CYBMUJFWSA-N 0 3 299.484 2.277 20 30 CEEDHN N#Cc1c(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)cn2ccccc12 ZINC000398897617 395239410 /nfs/dbraw/zinc/23/94/10/395239410.db2.gz LHBPTKWWAPQMAP-DZKIICNBSA-N 0 3 295.386 2.404 20 30 CEEDHN N#CCCCN[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000179567930 395196876 /nfs/dbraw/zinc/19/68/76/395196876.db2.gz HMYZMEWXICDIOF-HNNXBMFYSA-N 0 3 271.364 2.243 20 30 CEEDHN CC(C#N)C(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000352418201 395251568 /nfs/dbraw/zinc/25/15/68/395251568.db2.gz AACDGSDHHGYYLY-XCJKDKRRSA-N 0 3 278.377 2.103 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2oc(CC)nc2C)CC1 ZINC000292955053 395211959 /nfs/dbraw/zinc/21/19/59/395211959.db2.gz AWCARNCPMYGOIQ-UHFFFAOYSA-N 0 3 291.395 2.316 20 30 CEEDHN Cc1ccccc1[C@@H](C)NCCC(=O)N(C)CCC#N ZINC000181562049 395218802 /nfs/dbraw/zinc/21/88/02/395218802.db2.gz MHDLXXBDFZQSGY-CQSZACIVSA-N 0 3 273.380 2.408 20 30 CEEDHN N#Cc1ccc(CN[C@@]2(CO)COc3ccccc3C2)cc1 ZINC000527768617 395280923 /nfs/dbraw/zinc/28/09/23/395280923.db2.gz QSKAYURWPKDUKT-SFHVURJKSA-N 0 3 294.354 2.014 20 30 CEEDHN C=CC[C@@H](CO)CN[C@H](CC)c1ccc(F)cn1 ZINC000353000136 395284150 /nfs/dbraw/zinc/28/41/50/395284150.db2.gz QKHAASAXQVSKQJ-DGCLKSJQSA-N 0 3 252.333 2.446 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccc(F)c2C#N)CC1 ZINC000189278243 395325472 /nfs/dbraw/zinc/32/54/72/395325472.db2.gz SLBDFKFLOXQEQT-UHFFFAOYSA-N 0 3 287.338 2.078 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000528766787 395294120 /nfs/dbraw/zinc/29/41/20/395294120.db2.gz SHVDVJPWFPQRQG-YRORDHRNSA-N 0 3 274.364 2.468 20 30 CEEDHN COC[C@](C)(CCO)NCCC1(C#N)CCCCC1 ZINC000411335301 395326540 /nfs/dbraw/zinc/32/65/40/395326540.db2.gz QBBXJSXJMHRKQY-AWEZNQCLSA-N 0 3 268.401 2.228 20 30 CEEDHN C=CCN(CCc1ccccc1)[C@H](C)CN1CCOCC1 ZINC000411194021 395321905 /nfs/dbraw/zinc/32/19/05/395321905.db2.gz PAGQHBQFXSEJQE-QGZVFWFLSA-N 0 3 288.435 2.438 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc2ccccc2o1 ZINC000293879668 395255226 /nfs/dbraw/zinc/25/52/26/395255226.db2.gz CMCPDKSSQPGHJN-UHFFFAOYSA-N 0 3 270.332 2.118 20 30 CEEDHN CCN(CCC#N)C(=O)CN[C@@H](Cc1ccccc1)C1CC1 ZINC000183415156 395255482 /nfs/dbraw/zinc/25/54/82/395255482.db2.gz ZJXYGOGBYRMOAW-KRWDZBQOSA-N 0 3 299.418 2.359 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)c1ccc(CN(C)C)cc1 ZINC000183797725 395262124 /nfs/dbraw/zinc/26/21/24/395262124.db2.gz LZGJKCCUXNMDKM-AWEZNQCLSA-N 0 3 259.353 2.170 20 30 CEEDHN CN(C)C1(CNC(=O)c2ccc(C#N)c(Cl)c2)CCC1 ZINC000526120517 395276300 /nfs/dbraw/zinc/27/63/00/395276300.db2.gz FKFVXIAEDZSVQL-UHFFFAOYSA-N 0 3 291.782 2.426 20 30 CEEDHN CCC[C@@](C)(CO)NCc1ccc(C#N)c(OC)c1 ZINC000440819432 395360515 /nfs/dbraw/zinc/36/05/15/395360515.db2.gz JCQOIVNVWZZBOG-HNNXBMFYSA-N 0 3 262.353 2.208 20 30 CEEDHN CCC[C@H]1CN([C@H](C)CCC#N)CCN1CCOC ZINC000411416569 395328977 /nfs/dbraw/zinc/32/89/77/395328977.db2.gz CULGMQFUQUPLON-CABCVRRESA-N 0 3 267.417 2.111 20 30 CEEDHN C=CCN(C)CCN(CC)[C@H](C(=O)OC)c1ccsc1 ZINC000411640172 395334345 /nfs/dbraw/zinc/33/43/45/395334345.db2.gz DWORYCSRKJASRV-AWEZNQCLSA-N 0 3 296.436 2.402 20 30 CEEDHN N#Cc1ccc(NC[C@@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000192956844 395396920 /nfs/dbraw/zinc/39/69/20/395396920.db2.gz WKVIINKFUQWYFT-HNNXBMFYSA-N 0 3 293.374 2.282 20 30 CEEDHN C=CCN(C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)C1CC1 ZINC000412232639 395351809 /nfs/dbraw/zinc/35/18/09/395351809.db2.gz SFBVORLDCUILTC-UPJWGTAASA-N 0 3 250.386 2.425 20 30 CEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(C#N)c1 ZINC000531431061 395458859 /nfs/dbraw/zinc/45/88/59/395458859.db2.gz DLWIPMQXRRJVSZ-SJORKVTESA-N 0 3 297.402 2.186 20 30 CEEDHN CC(C)N(CC(=O)N(CCC#N)CCC#N)CC1CCC1 ZINC000193217410 395404351 /nfs/dbraw/zinc/40/43/51/395404351.db2.gz BQCVSNOQQGRCAT-UHFFFAOYSA-N 0 3 290.411 2.153 20 30 CEEDHN CCOC(=O)CC(C)(C)N(C)Cc1ccc(C#N)o1 ZINC000355358908 395421094 /nfs/dbraw/zinc/42/10/94/395421094.db2.gz ZTICTWDXKFKPIC-UHFFFAOYSA-N 0 3 264.325 2.315 20 30 CEEDHN C=CCC1(C(=O)N2CCO[C@H]3CCN(CC)C[C@@H]32)CCC1 ZINC000355368319 395424227 /nfs/dbraw/zinc/42/42/27/395424227.db2.gz LEOBUZMLQHYZTA-GJZGRUSLSA-N 0 3 292.423 2.054 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000355414785 395442570 /nfs/dbraw/zinc/44/25/70/395442570.db2.gz WUSUUFNHBOOGGY-ZIAGYGMSSA-N 0 3 285.391 2.389 20 30 CEEDHN COC[C@@H]1CCCN(Cc2ccc(C#N)cn2)CC1 ZINC000566428127 395522573 /nfs/dbraw/zinc/52/25/73/395522573.db2.gz BTAGJYVLBWRXLN-CYBMUJFWSA-N 0 3 259.353 2.202 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNCc1cnccn1)C(C)C ZINC000573333184 395605883 /nfs/dbraw/zinc/60/58/83/395605883.db2.gz LBBFQKIRNRVXLG-INIZCTEOSA-N 0 3 274.412 2.265 20 30 CEEDHN CCN(C)C(=O)[C@@H](N[C@@H]1CCC[C@H](C#N)C1)C(C)C ZINC000449442474 395548395 /nfs/dbraw/zinc/54/83/95/395548395.db2.gz ZBEITVVTPMSGFR-MJBXVCDLSA-N 0 3 265.401 2.161 20 30 CEEDHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1cccc(C#N)c1 ZINC000449515056 395552459 /nfs/dbraw/zinc/55/24/59/395552459.db2.gz XXQGROHAZZTEPS-CABCVRRESA-N 0 3 272.348 2.380 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2ccnn2C(F)F)nc(C)n1 ZINC000568280523 395554931 /nfs/dbraw/zinc/55/49/31/395554931.db2.gz DGQBHZZWPDORSA-VIFPVBQESA-N 0 3 291.261 2.175 20 30 CEEDHN CNC(=O)C[C@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000449606095 395556728 /nfs/dbraw/zinc/55/67/28/395556728.db2.gz XRCZVTRXXDUBJM-VIFPVBQESA-N 0 3 299.296 2.191 20 30 CEEDHN C[C@@H](C#N)CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000568460908 395560511 /nfs/dbraw/zinc/56/05/11/395560511.db2.gz SQOOSXLLDHKUJU-GXTWGEPZSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@@H](CO)[C@@H](C)NCc1ccc(C#N)cc1OC(F)F ZINC000450732025 395575256 /nfs/dbraw/zinc/57/52/56/395575256.db2.gz CPVNKYUNKHZQMV-VHSXEESVSA-N 0 3 284.306 2.266 20 30 CEEDHN N#CC1(CCN2CCC[C@H]3C(=O)NC[C@H]32)CCCCC1 ZINC000569672096 395580072 /nfs/dbraw/zinc/58/00/72/395580072.db2.gz OBYAFKORFSREHO-ZIAGYGMSSA-N 0 3 275.396 2.061 20 30 CEEDHN CC1(C)[C@H](O)C[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000570939235 395583943 /nfs/dbraw/zinc/58/39/43/395583943.db2.gz FYKUAHUIUOZDRD-UONOGXRCSA-N 0 3 263.768 2.441 20 30 CEEDHN COC[C@](C)(O)CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453268656 395628144 /nfs/dbraw/zinc/62/81/44/395628144.db2.gz ZULUXSQUCSRQKJ-XHDPSFHLSA-N 0 3 280.343 2.135 20 30 CEEDHN CC(C)(NCCn1ccc([N+](=O)[O-])n1)c1cccc(C#N)c1 ZINC000595637330 395666356 /nfs/dbraw/zinc/66/63/56/395666356.db2.gz XPNPCNSYACNGEQ-UHFFFAOYSA-N 0 3 299.334 2.188 20 30 CEEDHN CC(C)[C@H]1CN(Cc2ccc(C#N)cc2)CCN1C ZINC000487951362 395667616 /nfs/dbraw/zinc/66/76/16/395667616.db2.gz BHMMWAPDWCELOK-MRXNPFEDSA-N 0 3 257.381 2.330 20 30 CEEDHN CC(C)[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CCN1C ZINC000488043228 395667803 /nfs/dbraw/zinc/66/78/03/395667803.db2.gz PVZHVWWCLNJZSI-INIZCTEOSA-N 0 3 275.371 2.469 20 30 CEEDHN CC(C)[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CCN1C ZINC000493770401 395673892 /nfs/dbraw/zinc/67/38/92/395673892.db2.gz JKRKRMRCESUEEH-OZSKJFCKSA-N 0 3 297.402 2.370 20 30 CEEDHN C=CCCCCN1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000649281671 396111992 /nfs/dbraw/zinc/11/19/92/396111992.db2.gz KGTIQOQSQYBLFG-CQSZACIVSA-N 0 3 282.453 2.383 20 30 CEEDHN CCC#C[C@@H](C)N1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000646056904 396280196 /nfs/dbraw/zinc/28/01/96/396280196.db2.gz KWRAFIWTTOHTPC-NVXWUHKLSA-N 0 3 284.403 2.427 20 30 CEEDHN C=CCCOCCNCc1ccnn1CC(C)C ZINC000647197029 396437022 /nfs/dbraw/zinc/43/70/22/396437022.db2.gz YKQXNQUGQRPRFF-UHFFFAOYSA-N 0 3 251.374 2.221 20 30 CEEDHN C=CC[C@@H]1N(CC(=O)NC(=O)NC2CC2)CCCC1(C)C ZINC000331399967 400344599 /nfs/dbraw/zinc/34/45/99/400344599.db2.gz ALQTVOJYSBWRET-ZDUSSCGKSA-N 0 3 293.411 2.041 20 30 CEEDHN CC(C)[C@@H](CCO)NCc1cccc(C#N)c1F ZINC000227014712 153336131 /nfs/dbraw/zinc/33/61/31/153336131.db2.gz YEEBKLCLFIAVLV-CYBMUJFWSA-N 0 3 250.317 2.194 20 30 CEEDHN Cn1cc(CNCc2ccc3c(c2)COC3)cc1C#N ZINC000359694823 155114322 /nfs/dbraw/zinc/11/43/22/155114322.db2.gz KIZAQZCNHJVNRD-UHFFFAOYSA-N 0 3 267.332 2.217 20 30 CEEDHN CCN1CCCN(C(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000363147469 156004773 /nfs/dbraw/zinc/00/47/73/156004773.db2.gz VDPGYJHETNWDQT-BQYQJAHWSA-N 0 3 283.375 2.126 20 30 CEEDHN C[C@@H]1CN(CCC(=O)Nc2sccc2C#N)CCCO1 ZINC000170773581 165042412 /nfs/dbraw/zinc/04/24/12/165042412.db2.gz PIBJAAMBMLDMDY-LLVKDONJSA-N 0 3 293.392 2.059 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)c1ccc(F)c(C#N)c1 ZINC000284277728 196018831 /nfs/dbraw/zinc/01/88/31/196018831.db2.gz RWEUJLOEXMKLNO-UHFFFAOYSA-N 0 3 277.343 2.110 20 30 CEEDHN COC1CCN(CCOc2ccccc2C#N)CC1 ZINC000037266328 173075812 /nfs/dbraw/zinc/07/58/12/173075812.db2.gz LYBIVFCLPVUDCG-UHFFFAOYSA-N 0 3 260.337 2.048 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CC(F)F ZINC000662842401 414771885 /nfs/dbraw/zinc/77/18/85/414771885.db2.gz NVHFZHBRGWCQTQ-OUAUKWLOSA-N 0 3 260.328 2.220 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@@H](CC)[C@@H]1CCCCO1 ZINC000653880754 414773074 /nfs/dbraw/zinc/77/30/74/414773074.db2.gz QZAZZGMXJLPFIZ-GJZGRUSLSA-N 0 3 282.428 2.348 20 30 CEEDHN C=CCCNC(=O)NCc1ccccc1OCCN(C)C ZINC000660511252 414854816 /nfs/dbraw/zinc/85/48/16/414854816.db2.gz DRUHWHIJTBYDPY-UHFFFAOYSA-N 0 3 291.395 2.002 20 30 CEEDHN C=CCCn1cc(CN[C@@H]2CCc3cc(O)ccc3C2)nn1 ZINC000657450155 414943530 /nfs/dbraw/zinc/94/35/30/414943530.db2.gz KGOCZBCVHBBYMQ-OAHLLOKOSA-N 0 3 298.390 2.207 20 30 CEEDHN C=CC[C@@H](C)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660680484 414932495 /nfs/dbraw/zinc/93/24/95/414932495.db2.gz DOHIFMKMAWQWEQ-NEPJUHHUSA-N 0 3 253.390 2.123 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](C(C)C)C2CC2)CC1 ZINC000660703655 414940449 /nfs/dbraw/zinc/94/04/49/414940449.db2.gz FZVBDLQBLCWZBE-HNNXBMFYSA-N 0 3 279.428 2.371 20 30 CEEDHN C=C(C)CCNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654580422 414978039 /nfs/dbraw/zinc/97/80/39/414978039.db2.gz UACIVSQRVRONIZ-UHFFFAOYSA-N 0 3 267.417 2.468 20 30 CEEDHN CCN(C(=O)NCC#Cc1ccccc1)[C@H]1CCN(CC)C1 ZINC000663547556 414986171 /nfs/dbraw/zinc/98/61/71/414986171.db2.gz HNPCMIMVPMFSTA-KRWDZBQOSA-N 0 3 299.418 2.164 20 30 CEEDHN C=CCCn1cc(CNC[C@H]2CCO[C@H](C(C)C)C2)nn1 ZINC000657482157 414964326 /nfs/dbraw/zinc/96/43/26/414964326.db2.gz RQLWEDIGCZVBCN-HOCLYGCPSA-N 0 3 292.427 2.395 20 30 CEEDHN OCC1(N(CC#Cc2ccccc2)C2CC2)CCC1 ZINC000660770333 414967083 /nfs/dbraw/zinc/96/70/83/414967083.db2.gz DHRRDTASKVFZQB-UHFFFAOYSA-N 0 3 255.361 2.418 20 30 CEEDHN OCC1([C@@H](NCC#Cc2ccccc2)C2CC2)CCOCC1 ZINC000661082121 415086039 /nfs/dbraw/zinc/08/60/39/415086039.db2.gz VECXYVPKLJTSLH-SFHVURJKSA-N 0 3 299.414 2.195 20 30 CEEDHN C=CCN(C[C@@H](O)COc1ccccc1C)[C@@H](C)COC ZINC000661246291 415158579 /nfs/dbraw/zinc/15/85/79/415158579.db2.gz HYWDUKAGDBXLRX-JKSUJKDBSA-N 0 3 293.407 2.258 20 30 CEEDHN C=CCN(C[C@@H](O)COc1cccc(C)c1)[C@H](C)COC ZINC000661247806 415158905 /nfs/dbraw/zinc/15/89/05/415158905.db2.gz REAGBENDXAFNOX-HZPDHXFCSA-N 0 3 293.407 2.258 20 30 CEEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnnn1CC1CC1 ZINC000657976001 415143055 /nfs/dbraw/zinc/14/30/55/415143055.db2.gz JLAXBEAGBZCITE-UONOGXRCSA-N 0 3 275.400 2.308 20 30 CEEDHN CC(C#N)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000044809551 175257763 /nfs/dbraw/zinc/25/77/63/175257763.db2.gz XQOCUXBWSOUPAO-QMMMGPOBSA-N 0 3 256.227 2.481 20 30 CEEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)NCC(C)C)C1 ZINC000661378667 415231606 /nfs/dbraw/zinc/23/16/06/415231606.db2.gz JZQGQRWKLCXCEN-UONOGXRCSA-N 0 3 252.402 2.435 20 30 CEEDHN C=C(C)CN(C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000661509629 415304801 /nfs/dbraw/zinc/30/48/01/415304801.db2.gz QZCULHMCXIEPDI-LBPRGKRZSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCOCCCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000659018332 415388708 /nfs/dbraw/zinc/38/87/08/415388708.db2.gz PHDVAPNSNYFEGU-UHFFFAOYSA-N 0 3 289.379 2.047 20 30 CEEDHN C=CCN(C(=O)Nc1ccccc1CNC)[C@H](C)COC ZINC000659020042 415389701 /nfs/dbraw/zinc/38/97/01/415389701.db2.gz SLCKHEYVTJYTNC-CYBMUJFWSA-N 0 3 291.395 2.461 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661844553 415495078 /nfs/dbraw/zinc/49/50/78/415495078.db2.gz COTMZILHJNMNHH-OLZOCXBDSA-N 0 3 280.412 2.005 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000171587136 335071959 /nfs/dbraw/zinc/07/19/59/335071959.db2.gz WLALAOSQUFUJFU-GFCCVEGCSA-N 0 3 266.385 2.245 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1CCc2cc(C)cc(C)c21 ZINC000655747226 415431076 /nfs/dbraw/zinc/43/10/76/415431076.db2.gz CIJDZLGAZYTLJF-CQSZACIVSA-N 0 3 258.365 2.183 20 30 CEEDHN C=CCC[C@@H](NC[C@@](C)(CO)OC)c1ccco1 ZINC000655799354 415477029 /nfs/dbraw/zinc/47/70/29/415477029.db2.gz OBIIJOYMBRZJEZ-OCCSQVGLSA-N 0 3 253.342 2.274 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@H](C)C(C)C ZINC000662077276 415611490 /nfs/dbraw/zinc/61/14/90/415611490.db2.gz AACSLLKJQWGAHX-MCIONIFRSA-N 0 3 250.386 2.330 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC[C@@H](C3CCC3)C2)C1=O ZINC000662044306 415596893 /nfs/dbraw/zinc/59/68/93/415596893.db2.gz QSGAZLNGMBESFI-HUUCEWRRSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCOCCNCc1ccccc1N1CCO[C@H](C)C1 ZINC000656535201 415747862 /nfs/dbraw/zinc/74/78/62/415747862.db2.gz XXCHAGYHQAUVOR-OAHLLOKOSA-N 0 3 290.407 2.204 20 30 CEEDHN C=CC1CCN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659917161 415781313 /nfs/dbraw/zinc/78/13/13/415781313.db2.gz RAGWNJCUFKBIJD-SOUVJXGZSA-N 0 3 262.397 2.332 20 30 CEEDHN C=CC[C@]1(C(=O)Nc2cccc(-c3nnc[n-]3)c2)CCC[NH2+]1 ZINC000662588196 415894856 /nfs/dbraw/zinc/89/48/56/415894856.db2.gz RPTVFCPKHXGUQV-MRXNPFEDSA-N 0 3 297.362 2.109 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC1CC1)C(C)C ZINC000074453773 176553755 /nfs/dbraw/zinc/55/37/55/176553755.db2.gz DTFAZKDIQKCIFA-AWEZNQCLSA-N 0 3 265.401 2.147 20 30 CEEDHN C=CCCCN(C)C(=O)NCCN(CC)C1CC1 ZINC000076972098 177136163 /nfs/dbraw/zinc/13/61/63/177136163.db2.gz MICIVAUWJXJUAK-UHFFFAOYSA-N 0 3 253.390 2.078 20 30 CEEDHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2cccc(C#N)c2)C1 ZINC000077456595 177271377 /nfs/dbraw/zinc/27/13/77/177271377.db2.gz RDHQAIZIKCKPGI-HUUCEWRRSA-N 0 3 292.404 2.004 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC=CCC2)CC1 ZINC000077594094 177283425 /nfs/dbraw/zinc/28/34/25/177283425.db2.gz VQEOHNPWDSUDHM-CQSZACIVSA-N 0 3 277.412 2.435 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C[C@@H](C)O)C1CCCCC1 ZINC000078516045 177348907 /nfs/dbraw/zinc/34/89/07/177348907.db2.gz UBKRZGNQAYOPOG-OAHLLOKOSA-N 0 3 294.439 2.203 20 30 CEEDHN CC(C#N)C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000334961477 225377008 /nfs/dbraw/zinc/37/70/08/225377008.db2.gz HMFCOEYXAPABSL-SNVBAGLBSA-N 0 3 294.301 2.494 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000566858602 299027531 /nfs/dbraw/zinc/02/75/31/299027531.db2.gz RYKOESJYSQRJDC-GXTWGEPZSA-N 0 3 289.335 2.107 20 30 CEEDHN CC(C#N)C(=O)NCCCCOCCc1ccccc1 ZINC000347063326 226010300 /nfs/dbraw/zinc/01/03/00/226010300.db2.gz HFXYVTHYKRGBNQ-CQSZACIVSA-N 0 3 274.364 2.302 20 30 CEEDHN Cc1nc2ccccn2c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000335286310 226229529 /nfs/dbraw/zinc/22/95/29/226229529.db2.gz OFLCJVAJHUFCMW-QWHCGFSZSA-N 0 3 254.337 2.425 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000348018690 226396567 /nfs/dbraw/zinc/39/65/67/226396567.db2.gz RUHNUIKPUMOFNX-HOSYDEDBSA-N 0 3 264.350 2.196 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@](F)(c2ccccc2F)C1 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CEEDHN CC[C@@H](C#N)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000263820834 262854471 /nfs/dbraw/zinc/85/44/71/262854471.db2.gz QCBZJXMHYRNXNE-CVEARBPZSA-N 0 3 285.391 2.317 20 30 CEEDHN CCOc1c(OC)cc(CNCCCC#N)cc1OC ZINC000273012973 263010921 /nfs/dbraw/zinc/01/09/21/263010921.db2.gz CLCIGKMYBUJOBW-UHFFFAOYSA-N 0 3 278.352 2.496 20 30 CEEDHN CCOCCOCCN(C)Cc1ccc(OCC#N)cc1 ZINC000276132064 263034939 /nfs/dbraw/zinc/03/49/39/263034939.db2.gz CYTKSBYLWHVWDA-UHFFFAOYSA-N 0 3 292.379 2.074 20 30 CEEDHN C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccc(OCC#N)cc1 ZINC000277047506 263039506 /nfs/dbraw/zinc/03/95/06/263039506.db2.gz HRUPLZCKBOAZJR-CHWSQXEVSA-N 0 3 274.364 2.323 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000279720036 263057063 /nfs/dbraw/zinc/05/70/63/263057063.db2.gz MHWPENIAOAJMHE-ABAIWWIYSA-N 0 3 267.332 2.155 20 30 CEEDHN N#CCCCNCc1ccnn1-c1ccc(F)cc1 ZINC000279776296 263057298 /nfs/dbraw/zinc/05/72/98/263057298.db2.gz APOGUWFKWHVGGE-UHFFFAOYSA-N 0 3 258.300 2.405 20 30 CEEDHN CC[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280132325 263059180 /nfs/dbraw/zinc/05/91/80/263059180.db2.gz QQKDRAIIUPBBDO-CJNGLKHVSA-N 0 3 281.359 2.499 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(C(=O)OC)o1 ZINC000280592751 263063272 /nfs/dbraw/zinc/06/32/72/263063272.db2.gz BOTZCJZKJPRIOO-RISCZKNCSA-N 0 3 279.336 2.137 20 30 CEEDHN C=C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281054038 263066156 /nfs/dbraw/zinc/06/61/56/263066156.db2.gz YHZLENLUAQFPRS-MRXNPFEDSA-N 0 3 279.343 2.419 20 30 CEEDHN COC(=O)[C@]1(C)CN(CC#Cc2ccccc2)C[C@H]1C ZINC000282784535 263078774 /nfs/dbraw/zinc/07/87/74/263078774.db2.gz PSZAQJCJQRVXJV-RHSMWYFYSA-N 0 3 271.360 2.169 20 30 CEEDHN C=CCC(C)(C)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000340189577 263086138 /nfs/dbraw/zinc/08/61/38/263086138.db2.gz RVPLQJHWOAHQPP-ZDUSSCGKSA-N 0 3 250.386 2.284 20 30 CEEDHN CO[C@H]1C[C@@H](N(C)Cc2ccc(OCC#N)cc2)C1 ZINC000285379076 263092478 /nfs/dbraw/zinc/09/24/78/263092478.db2.gz NBVKWCFNWHDGIK-OTVXOJSOSA-N 0 3 260.337 2.198 20 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CCN(CCOCCC#N)C[C@H]1COc2ccccc2O1 ZINC000293579633 263143494 /nfs/dbraw/zinc/14/34/94/263143494.db2.gz SZSOMUZBHMHYTO-AWEZNQCLSA-N 0 3 290.363 2.079 20 30 CEEDHN C[C@H](CN(C)CCOCCC#N)c1nccs1 ZINC000294706563 263166304 /nfs/dbraw/zinc/16/63/04/263166304.db2.gz UWORTXUMVXHCJG-LLVKDONJSA-N 0 3 253.371 2.109 20 30 CEEDHN CN(C(=O)C(C#N)CCc1ccccc1)[C@H]1CCC[C@H]1O ZINC000341833832 263353493 /nfs/dbraw/zinc/35/34/93/263353493.db2.gz LPLAEAWLXJRAOS-HRCADAONSA-N 0 3 286.375 2.131 20 30 CEEDHN COCC1(C#N)CCN(CCCOC(C)C)CC1 ZINC000341997223 263373580 /nfs/dbraw/zinc/37/35/80/263373580.db2.gz WGXFBENFCMMHJF-UHFFFAOYSA-N 0 3 254.374 2.054 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000342007262 263377088 /nfs/dbraw/zinc/37/70/88/263377088.db2.gz GSDVTAXJOSJEMC-JSGCOSHPSA-N 0 3 250.386 2.284 20 30 CEEDHN CCCN(CCN(C)C)C(=O)c1cccc(CC#N)c1 ZINC000343068449 263587368 /nfs/dbraw/zinc/58/73/68/263587368.db2.gz PWLDMGAILZZHLV-UHFFFAOYSA-N 0 3 273.380 2.166 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CCOC[C@H]1C1CC1 ZINC000328796540 263872784 /nfs/dbraw/zinc/87/27/84/263872784.db2.gz UWVMHMNAGBYHNP-SJORKVTESA-N 0 3 298.386 2.396 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CCN1C ZINC000330889539 264063923 /nfs/dbraw/zinc/06/39/23/264063923.db2.gz BKGDHGIAKASCEM-GHMZBOCLSA-N 0 3 277.324 2.382 20 30 CEEDHN CC[C@H](C)n1ncc(C(=O)NCCN(C)C)c1C ZINC000331083002 264117518 /nfs/dbraw/zinc/11/75/18/264117518.db2.gz OZRKMZDNXZBYHO-JTQLQIEISA-N 0 3 252.362 2.029 20 30 CEEDHN C=CCn1cc(CNC[C@@H]2C[C@@H]2c2ccccc2)nn1 ZINC000425351541 264122904 /nfs/dbraw/zinc/12/29/04/264122904.db2.gz JAOSPEXTWBUBMB-GOEBONIOSA-N 0 3 268.364 2.357 20 30 CEEDHN Cc1cnccc1CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000331123236 264131900 /nfs/dbraw/zinc/13/19/00/264131900.db2.gz GVLJSUHFXIBZCB-ZDUSSCGKSA-N 0 3 288.395 2.044 20 30 CEEDHN CNC(=O)c1cccc(CN[C@@H]2CCC[C@]2(C)CO)c1 ZINC000331150651 264139523 /nfs/dbraw/zinc/13/95/23/264139523.db2.gz IJEFZLXFHCISHJ-GDBMZVCRSA-N 0 3 276.380 2.262 20 30 CEEDHN CCCC(=O)NC[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000331275615 264170114 /nfs/dbraw/zinc/17/01/14/264170114.db2.gz XJJAMMQYEBOTTL-QLFBSQMISA-N 0 3 277.412 2.307 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@H](CO)[C@H]2C)cc1OC ZINC000426001841 264300471 /nfs/dbraw/zinc/30/04/71/264300471.db2.gz ZJZCRLJKHGDYHQ-UKRRQHHQSA-N 0 3 291.391 2.463 20 30 CEEDHN CC#CCN[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000283644185 264520126 /nfs/dbraw/zinc/52/01/26/264520126.db2.gz AUURLYMCIQNIFZ-GJZGRUSLSA-N 0 3 264.319 2.323 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1coc(-c2ccccc2)n1 ZINC000294044164 265005481 /nfs/dbraw/zinc/00/54/81/265005481.db2.gz SSYCBVXHCZTRGU-UHFFFAOYSA-N 0 3 297.358 2.027 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCO[C@@H]2CC)CC1 ZINC000345929824 265102328 /nfs/dbraw/zinc/10/23/28/265102328.db2.gz LNSIDIIBOIRXOS-JKSUJKDBSA-N 0 3 294.439 2.348 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000519294693 265387717 /nfs/dbraw/zinc/38/77/17/265387717.db2.gz VZLXROQSMYGAHU-GXFFZTMASA-N 0 3 285.326 2.393 20 30 CEEDHN CC#CCCCC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000356294098 266089982 /nfs/dbraw/zinc/08/99/82/266089982.db2.gz JJFFSTZNXIWRCX-INIZCTEOSA-N 0 3 262.397 2.124 20 30 CEEDHN C=C[C@](C)(O)CC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000356494695 266125774 /nfs/dbraw/zinc/12/57/74/266125774.db2.gz APPKJXXVEVXGJC-WWGRRREGSA-N 0 3 294.395 2.152 20 30 CEEDHN C=CCNC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000357047579 266238088 /nfs/dbraw/zinc/23/80/88/266238088.db2.gz JULREDNUXLIPGN-SJORKVTESA-N 0 3 299.418 2.336 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC[C@@H](CC)O2)CC1 ZINC000362532315 267003014 /nfs/dbraw/zinc/00/30/14/267003014.db2.gz AFVWWEDBGYDFFR-CABCVRRESA-N 0 3 280.412 2.101 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](O)CC(C)(C)C)CC1 ZINC000362808980 267049401 /nfs/dbraw/zinc/04/94/01/267049401.db2.gz NCVFQHBOTNUFIO-OAHLLOKOSA-N 0 3 296.455 2.330 20 30 CEEDHN N#CCCCCN1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000363192855 267080084 /nfs/dbraw/zinc/08/00/84/267080084.db2.gz PESNITLQCZSLTR-GFCCVEGCSA-N 0 3 292.408 2.487 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000368588835 267188812 /nfs/dbraw/zinc/18/88/12/267188812.db2.gz HDRKNIOARJODIB-UKRRQHHQSA-N 0 3 262.397 2.307 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)C3(C#N)CCCCC3)C[C@H]21 ZINC000368597014 267189803 /nfs/dbraw/zinc/18/98/03/267189803.db2.gz WNNIPFITFIQBIP-ZIAGYGMSSA-N 0 3 275.396 2.013 20 30 CEEDHN CC[C@H](C)N[C@@H](CNc1cncc(C#N)n1)c1ccco1 ZINC000420628751 267204965 /nfs/dbraw/zinc/20/49/65/267204965.db2.gz PZRYTZAFDCJOLI-AAEUAGOBSA-N 0 3 285.351 2.483 20 30 CEEDHN CC[C@H]1CN(CC)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000449567296 267231280 /nfs/dbraw/zinc/23/12/80/267231280.db2.gz VHJVNOHLKCDSCR-HNNXBMFYSA-N 0 3 297.406 2.122 20 30 CEEDHN CN(C(=O)/C=C\c1cccc(C#N)c1)[C@@H]1CCN(C2CC2)C1 ZINC000491683853 267269603 /nfs/dbraw/zinc/26/96/03/267269603.db2.gz BHBQFPHCUAWJAD-CTEOGUNLSA-N 0 3 295.386 2.267 20 30 CEEDHN CN(C)CC(C)(C)NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000459546376 267279633 /nfs/dbraw/zinc/27/96/33/267279633.db2.gz IGABVQKTNBSPFE-UHFFFAOYSA-N 0 3 299.378 2.038 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000370091561 267289968 /nfs/dbraw/zinc/28/99/68/267289968.db2.gz KMMQJXPDAKNUFL-CAOSSQGBSA-N 0 3 292.423 2.053 20 30 CEEDHN CN(C)[C@]1(CNc2c(C#N)cccc2C#N)CCSC1 ZINC000436382166 267290185 /nfs/dbraw/zinc/29/01/85/267290185.db2.gz BPZMNMPZOHBPOF-HNNXBMFYSA-N 0 3 286.404 2.279 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000491895886 267308972 /nfs/dbraw/zinc/30/89/72/267308972.db2.gz RBYUMHDOIAGRML-IBSYWUHOSA-N 0 3 297.402 2.372 20 30 CEEDHN Cc1cc(N2CC[C@@H](N3CCCCC3)C2)c(C#N)cn1 ZINC000399359142 267340530 /nfs/dbraw/zinc/34/05/30/267340530.db2.gz ARWRXIKCDNARCW-OAHLLOKOSA-N 0 3 270.380 2.326 20 30 CEEDHN CC(C)(C#N)CCN1CCC(OC[C@H]2CCOC2)CC1 ZINC000120059613 267354353 /nfs/dbraw/zinc/35/43/53/267354353.db2.gz SKGNBLPFSQNKJN-AWEZNQCLSA-N 0 3 280.412 2.444 20 30 CEEDHN CCOC(=O)C1CCC(NCC2(C#N)CCC2)CC1 ZINC000418139669 267361764 /nfs/dbraw/zinc/36/17/64/267361764.db2.gz IEYHOMZMXNULNH-UHFFFAOYSA-N 0 3 264.369 2.392 20 30 CEEDHN C#CCCN1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000371194413 267367718 /nfs/dbraw/zinc/36/77/18/267367718.db2.gz DIUIZVYMGFFKSE-CQSZACIVSA-N 0 3 271.364 2.064 20 30 CEEDHN Cc1ccccc1[C@@H](C)NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000123189746 268006122 /nfs/dbraw/zinc/00/61/22/268006122.db2.gz BEGOIELYDUKUFR-CXAGYDPISA-N 0 3 285.391 2.454 20 30 CEEDHN C[C@@H](NCCCC#N)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000376835235 268022262 /nfs/dbraw/zinc/02/22/62/268022262.db2.gz BVRAZFYBHCPIRY-NVXWUHKLSA-N 0 3 287.407 2.169 20 30 CEEDHN Cn1cc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1C#N ZINC000449448742 268127580 /nfs/dbraw/zinc/12/75/80/268127580.db2.gz AQAOZUXSYOAKOP-GVDBMIGSSA-N 0 3 287.407 2.412 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)/C=C\c1ccc(C#N)cc1 ZINC000490821022 269655731 /nfs/dbraw/zinc/65/57/31/269655731.db2.gz JAXVLPUDGFYVSF-YDZSZYSISA-N 0 3 283.375 2.172 20 30 CEEDHN CS[C@@H]1CN(c2ccc(C#N)cc2F)C[C@H]1N(C)C ZINC000271608369 274182467 /nfs/dbraw/zinc/18/24/67/274182467.db2.gz JQYDZFAAEDVAMQ-ZIAGYGMSSA-N 0 3 279.384 2.179 20 30 CEEDHN C[C@@H](CN(C)C)Nc1nc2cc(Cl)ccn2c1C#N ZINC000286306335 274212706 /nfs/dbraw/zinc/21/27/06/274212706.db2.gz GKMNRFINJASKRN-VIFPVBQESA-N 0 3 277.759 2.221 20 30 CEEDHN CC(=O)NCCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352822319 275480429 /nfs/dbraw/zinc/48/04/29/275480429.db2.gz JTXQRJLJMQBSER-UHFFFAOYSA-N 0 3 299.296 2.193 20 30 CEEDHN C#CCCN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000276945067 276777388 /nfs/dbraw/zinc/77/73/88/276777388.db2.gz CVUVPHNBUXTTFR-KBPBESRZSA-N 0 3 251.276 2.408 20 30 CEEDHN CC(C)(C#N)CCN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352674528 277120897 /nfs/dbraw/zinc/12/08/97/277120897.db2.gz BSTMSOYYKMZPTK-QWRGUYRKSA-N 0 3 278.318 2.419 20 30 CEEDHN CC(C)C(=O)NC[C@@H]1CCCN([C@H](C)CCC#N)C1 ZINC000351231655 277333660 /nfs/dbraw/zinc/33/36/60/277333660.db2.gz WAEIKDZFVJQAHG-KGLIPLIRSA-N 0 3 265.401 2.163 20 30 CEEDHN C=CCN(CC=C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000265483664 277844224 /nfs/dbraw/zinc/84/42/24/277844224.db2.gz VRVMMBBJZHQHGJ-UHFFFAOYSA-N 0 3 292.423 2.222 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C)C(C)C ZINC000356024151 277851947 /nfs/dbraw/zinc/85/19/47/277851947.db2.gz XTEBAPXYOFRAHG-BZUAXINKSA-N 0 3 294.439 2.226 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1C[C@@H](C)CC(C)(C)C1 ZINC000344085591 278134679 /nfs/dbraw/zinc/13/46/79/278134679.db2.gz SJYIBWXSMWFSIE-QWHCGFSZSA-N 0 3 265.401 2.115 20 30 CEEDHN C[C@@H](N[C@@H](C)CC(=O)N(C)C)c1ccc(C#N)cc1 ZINC000268819126 278362730 /nfs/dbraw/zinc/36/27/30/278362730.db2.gz QZWPQVPNMZYBJQ-NWDGAFQWSA-N 0 3 259.353 2.076 20 30 CEEDHN C[C@H](NCCC(C)(C)S(C)(=O)=O)c1ccc(C#N)cc1 ZINC000414274535 279465529 /nfs/dbraw/zinc/46/55/29/279465529.db2.gz ZHNHBHIPPQICRM-LBPRGKRZSA-N 0 3 294.420 2.422 20 30 CEEDHN CC[C@H](N[C@H](C)C[S@](C)=O)c1ccc(C#N)cc1 ZINC000278643717 280967449 /nfs/dbraw/zinc/96/74/49/280967449.db2.gz HPXHBAVKKUBCJH-VZSAFFHGSA-N 0 3 264.394 2.366 20 30 CEEDHN C[C@H](CNC(=O)N[C@]1(C)CCO[C@H]1C)N1CCC(C)CC1 ZINC000329760995 289395210 /nfs/dbraw/zinc/39/52/10/289395210.db2.gz QXFBJLHTCVWXLJ-IJEWVQPXSA-N 0 3 297.443 2.178 20 30 CEEDHN N#Cc1ccc(CN2CCNC[C@H]2c2cccnc2)cc1 ZINC000261604755 294912796 /nfs/dbraw/zinc/91/27/96/294912796.db2.gz AYJQPLGWRGQXBL-KRWDZBQOSA-N 0 3 278.359 2.100 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)CCN1C ZINC000542719118 298299174 /nfs/dbraw/zinc/29/91/74/298299174.db2.gz OXQZWXBZYBUZHN-GXFFZTMASA-N 0 3 291.782 2.424 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2cc(C#N)cs2)[C@]12CCCO2 ZINC000544708920 298326870 /nfs/dbraw/zinc/32/68/70/298326870.db2.gz MNDOPDXTXWGZSH-RBSFLKMASA-N 0 3 292.404 2.436 20 30 CEEDHN C=CCCCCNC(=O)N(CCN(C)C)C(C)C ZINC000353345321 527148516 /nfs/dbraw/zinc/14/85/16/527148516.db2.gz FAIYJJRTZQQXAY-UHFFFAOYSA-N 0 3 255.406 2.324 20 30 CEEDHN CN(C)C[C@@H]1CCCCN1C(=O)c1cc(C#N)cs1 ZINC000177442269 312720428 /nfs/dbraw/zinc/72/04/28/312720428.db2.gz AUOPRFVJQKWYHW-LBPRGKRZSA-N 0 3 277.393 2.176 20 30 CEEDHN N#Cc1c2c(cnc1N1CC[C@@H](N3CCCC3)C1)CCC2 ZINC000564876656 313780626 /nfs/dbraw/zinc/78/06/26/313780626.db2.gz IZOYOYFYGLAVNO-CQSZACIVSA-N 0 3 282.391 2.116 20 30 CEEDHN CN(Cc1ccc(C#N)cn1)[C@@H](CO)CC(C)(C)C ZINC000574171049 314194493 /nfs/dbraw/zinc/19/44/93/314194493.db2.gz VAJJLMJSWHNHLV-CQSZACIVSA-N 0 3 261.369 2.182 20 30 CEEDHN CCc1nncn1CCN[C@@H](CC)c1ccc(C#N)cc1 ZINC000577260121 314357540 /nfs/dbraw/zinc/35/75/40/314357540.db2.gz WASBKTLMFOTLEW-HNNXBMFYSA-N 0 3 283.379 2.453 20 30 CEEDHN C#CCCCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000173320968 329145740 /nfs/dbraw/zinc/14/57/40/329145740.db2.gz KDACOPIXQHQAQT-HNNXBMFYSA-N 0 3 277.412 2.060 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](COC)CC1 ZINC000452077115 328217083 /nfs/dbraw/zinc/21/70/83/328217083.db2.gz FPIPJWBQNGPSEJ-HZPDHXFCSA-N 0 3 294.439 2.324 20 30 CEEDHN N#Cc1c(F)cccc1C(=O)NC1CCN(C2CC2)CC1 ZINC000187749028 321762446 /nfs/dbraw/zinc/76/24/46/321762446.db2.gz IJTQJHUFBXQAQR-UHFFFAOYSA-N 0 3 287.338 2.054 20 30 CEEDHN CN(C)Cc1ccccc1NC(=O)c1cc(C#N)cn1C ZINC000580395281 322314884 /nfs/dbraw/zinc/31/48/84/322314884.db2.gz BACJJDZWLKNJTD-UHFFFAOYSA-N 0 3 282.347 2.211 20 30 CEEDHN OCCCCN(CC#Cc1ccc(F)cc1)C1CC1 ZINC000152281172 328386469 /nfs/dbraw/zinc/38/64/69/328386469.db2.gz JGCXFAJCARFTLF-UHFFFAOYSA-N 0 3 261.340 2.414 20 30 CEEDHN C=CC[C@H](CO)CNCc1cc2ccccc2[nH]c1=O ZINC000341289386 328404644 /nfs/dbraw/zinc/40/46/44/328404644.db2.gz GWLPWAPUAAUDNB-LBPRGKRZSA-N 0 3 272.348 2.215 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccccc1F ZINC000562552905 327491398 /nfs/dbraw/zinc/49/13/98/327491398.db2.gz JWRAHZRQCTYSLN-KGLIPLIRSA-N 0 3 278.327 2.087 20 30 CEEDHN Cn1nc2c(c1CN[C@H]1CCC[C@H](C#N)C1)CCCC2 ZINC000336344335 328750005 /nfs/dbraw/zinc/75/00/05/328750005.db2.gz DMHNECWHRGAGQK-STQMWFEESA-N 0 3 272.396 2.471 20 30 CEEDHN C#Cc1ccc(CN2CCOC3(CCOCC3)CC2)cc1 ZINC000377613847 329020448 /nfs/dbraw/zinc/02/04/48/329020448.db2.gz GBCDHMWYDJETDS-UHFFFAOYSA-N 0 3 285.387 2.439 20 30 CEEDHN C#CC[C@@H](C)NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000377901024 329034167 /nfs/dbraw/zinc/03/41/67/329034167.db2.gz AWVCLEIXQZWUEP-WBVHZDCISA-N 0 3 299.418 2.314 20 30 CEEDHN C=C(C)CN1CCC2(C[C@H]2C(=O)N2CCCC2)CC1 ZINC000378384487 329048373 /nfs/dbraw/zinc/04/83/73/329048373.db2.gz VEQLCXFYCAIBDJ-AWEZNQCLSA-N 0 3 262.397 2.287 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC2CCSCC2)CC1 ZINC000171603783 329077963 /nfs/dbraw/zinc/07/79/63/329077963.db2.gz LSCMSOUCOGMWAY-UHFFFAOYSA-N 0 3 297.468 2.222 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)NCCCCC#N ZINC000172152959 329081656 /nfs/dbraw/zinc/08/16/56/329081656.db2.gz GMNWHNRMYKSSET-AWEZNQCLSA-N 0 3 280.416 2.244 20 30 CEEDHN C[C@@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)[C@@H]1C ZINC000177900957 329190309 /nfs/dbraw/zinc/19/03/09/329190309.db2.gz ALNJBRCDMOWMHN-ZIAGYGMSSA-N 0 3 277.412 2.402 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(C)c(O)c2)CC1 ZINC000181048576 329225633 /nfs/dbraw/zinc/22/56/33/329225633.db2.gz AZJMJYFKEPJJOY-UHFFFAOYSA-N 0 3 274.364 2.081 20 30 CEEDHN CC#CCCN1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184467050 329260605 /nfs/dbraw/zinc/26/06/05/329260605.db2.gz LVOUEKBBCQULQM-CQSZACIVSA-N 0 3 251.370 2.454 20 30 CEEDHN C=CC[C@@H](CO)NCc1cnn(-c2ccc(F)cc2)c1 ZINC000184267009 329258381 /nfs/dbraw/zinc/25/83/81/329258381.db2.gz RMCQNZCMAMBBEX-AWEZNQCLSA-N 0 3 275.327 2.038 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NC1CCN(C2CC2)CC1 ZINC000185098021 329268037 /nfs/dbraw/zinc/26/80/37/329268037.db2.gz OKOTUVOFEFUARL-LBPRGKRZSA-N 0 3 250.386 2.332 20 30 CEEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)C(=O)N1CCCCC1 ZINC000185815765 329329583 /nfs/dbraw/zinc/32/95/83/329329583.db2.gz ZFXAXOLPDSOBGE-IHRRRGAJSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@@H](NCC(=O)NCC#N)C1(c2ccccc2)CCCC1 ZINC000185959291 329333182 /nfs/dbraw/zinc/33/31/82/329333182.db2.gz ODQTVJWASDWIMX-CQSZACIVSA-N 0 3 285.391 2.116 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(-n3cncn3)cc2)C1 ZINC000185850295 329333289 /nfs/dbraw/zinc/33/32/89/329333289.db2.gz ACKLLWZYEGYWPF-HUUCEWRRSA-N 0 3 281.363 2.439 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC(OC)(C(F)(F)F)CC1 ZINC000419356875 329719900 /nfs/dbraw/zinc/71/99/00/329719900.db2.gz TURQYWKYVAXAJL-LLVKDONJSA-N 0 3 281.318 2.357 20 30 CEEDHN C=CCC1(C(=O)NC[C@@](C)(O)CCN(C)C)CCCCC1 ZINC000420001757 329752018 /nfs/dbraw/zinc/75/20/18/329752018.db2.gz RRNIRBZFEWPDNJ-INIZCTEOSA-N 0 3 296.455 2.332 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246096281 329781859 /nfs/dbraw/zinc/78/18/59/329781859.db2.gz IXWTYJAHQISGEA-QDMKHBRRSA-N 0 3 294.439 2.347 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000421987924 330114117 /nfs/dbraw/zinc/11/41/17/330114117.db2.gz LWMKAKVWMMYMHW-BZUAXINKSA-N 0 3 286.375 2.179 20 30 CEEDHN C=CCOCCCC(=O)NC[C@@H](N)c1ccccc1CC ZINC000423952239 330217156 /nfs/dbraw/zinc/21/71/56/330217156.db2.gz ZZTCUTQXLWUIBN-MRXNPFEDSA-N 0 3 290.407 2.348 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccccc1 ZINC000424069671 330219810 /nfs/dbraw/zinc/21/98/10/330219810.db2.gz QFVSZLISLBVIRL-CABCVRRESA-N 0 3 271.364 2.371 20 30 CEEDHN CC[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(OC)cc1 ZINC000424070415 330220010 /nfs/dbraw/zinc/22/00/10/330220010.db2.gz XPOBZOSQLZCKBW-HUUCEWRRSA-N 0 3 289.379 2.284 20 30 CEEDHN Cc1cc2cc(NC(=O)[C@@H](N)CCCC#N)ccc2[nH]1 ZINC000424076956 330221092 /nfs/dbraw/zinc/22/10/92/330221092.db2.gz AHSJHVZIXWQPQN-ZDUSSCGKSA-N 0 3 270.336 2.436 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000424084572 330222614 /nfs/dbraw/zinc/22/26/14/330222614.db2.gz BWJLLGOHHQMIID-OAHLLOKOSA-N 0 3 289.354 2.338 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000424084569 330222770 /nfs/dbraw/zinc/22/27/70/330222770.db2.gz BWJLLGOHHQMIID-HNNXBMFYSA-N 0 3 289.354 2.338 20 30 CEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000424081886 330223620 /nfs/dbraw/zinc/22/36/20/330223620.db2.gz KWHXVEQBQJAEAY-YPMHNXCESA-N 0 3 251.374 2.093 20 30 CEEDHN C[C@H](CNC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1 ZINC000424101185 330233431 /nfs/dbraw/zinc/23/34/31/330233431.db2.gz JDWCVQIFTKEADM-BXUZGUMPSA-N 0 3 277.343 2.067 20 30 CEEDHN CC[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424115320 330243170 /nfs/dbraw/zinc/24/31/70/330243170.db2.gz ADRJNUXYVLPLIK-HOTGVXAUSA-N 0 3 287.407 2.487 20 30 CEEDHN CC(C)(CNC(=O)[C@@H](N)CCCC#N)c1ccccc1F ZINC000424116622 330243798 /nfs/dbraw/zinc/24/37/98/330243798.db2.gz XQWPBKCOVJNENR-AWEZNQCLSA-N 0 3 291.370 2.241 20 30 CEEDHN CC[C@@H]1CCC[C@H](NC(=O)[C@@H](N)CCCC#N)C1 ZINC000424124693 330257397 /nfs/dbraw/zinc/25/73/97/330257397.db2.gz MPWFLROLYXUDRH-AGIUHOORSA-N 0 3 251.374 2.093 20 30 CEEDHN CCOCc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424129240 330260292 /nfs/dbraw/zinc/26/02/92/330260292.db2.gz XPQMGWCCVWPTMR-CQSZACIVSA-N 0 3 275.352 2.183 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000424134358 330266581 /nfs/dbraw/zinc/26/65/81/330266581.db2.gz HWYWMHZHFVGMCH-IRXDYDNUSA-N 0 3 299.418 2.489 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1CCNC(=O)[C@@H](N)CCCC#N ZINC000424134020 330266710 /nfs/dbraw/zinc/26/67/10/330266710.db2.gz HLBCNTHVUXRINU-MCIONIFRSA-N 0 3 265.401 2.340 20 30 CEEDHN C=CCn1cc(CN[C@@H](C)Cc2ccccc2C)nn1 ZINC000424167997 330309996 /nfs/dbraw/zinc/30/99/96/330309996.db2.gz DZMQPFRCKOGIHI-AWEZNQCLSA-N 0 3 270.380 2.493 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(C(F)F)cc1 ZINC000424169546 330310700 /nfs/dbraw/zinc/31/07/00/330310700.db2.gz HDBBSXDZCSNCHU-GFCCVEGCSA-N 0 3 281.306 2.262 20 30 CEEDHN C[C@@H]1CCC[C@@H](NC(=O)[C@H](N)CCCC#N)CC1 ZINC000424180870 330318927 /nfs/dbraw/zinc/31/89/27/330318927.db2.gz PTBUANLRLJNBEO-JHJVBQTASA-N 0 3 251.374 2.093 20 30 CEEDHN Cc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1-n1cncn1 ZINC000424193821 330324426 /nfs/dbraw/zinc/32/44/26/330324426.db2.gz KYAAQXYPPYVIEL-DZGCQCFKSA-N 0 3 281.363 2.358 20 30 CEEDHN Cc1cc(C)n2c(CN[C@@H]3CC[C@H](C#N)C3)cnc2n1 ZINC000424199183 330326211 /nfs/dbraw/zinc/32/62/11/330326211.db2.gz QAWOXPFYJLIHSP-QWHCGFSZSA-N 0 3 269.352 2.128 20 30 CEEDHN C[C@@H](CCCO)NC(=O)C(C#N)CCc1ccccc1 ZINC000433386498 330350245 /nfs/dbraw/zinc/35/02/45/330350245.db2.gz OUYMJKBPOKNAOY-ZFWWWQNUSA-N 0 3 274.364 2.036 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000442670876 330778575 /nfs/dbraw/zinc/77/85/75/330778575.db2.gz KEXUUCBIHWGMEG-OUCADQQQSA-N 0 3 270.442 2.093 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)NCC1CCC(C#N)CC1 ZINC000442723574 330780878 /nfs/dbraw/zinc/78/08/78/330780878.db2.gz SGYIJFBRQQJMEW-UHFFFAOYSA-N 0 3 294.443 2.298 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NCc2ccnc(-n3cccn3)c2)C1 ZINC000447546209 330869434 /nfs/dbraw/zinc/86/94/34/330869434.db2.gz ZZCFWRLOEBSJMZ-DZGCQCFKSA-N 0 3 281.363 2.439 20 30 CEEDHN C=CCCCC[C@@H](C)N[C@H](CO)c1cnn(C)c1 ZINC000449207525 330906171 /nfs/dbraw/zinc/90/61/71/330906171.db2.gz OKFSGNCARLMKFC-TZMCWYRMSA-N 0 3 251.374 2.178 20 30 CEEDHN COc1c(CNC2CCC(C)(C#N)CC2)c(C)nn1C ZINC000449241665 330908942 /nfs/dbraw/zinc/90/89/42/330908942.db2.gz BWBAWCBVGURWAV-UHFFFAOYSA-N 0 3 276.384 2.299 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccncc1F ZINC000449297249 330912625 /nfs/dbraw/zinc/91/26/25/330912625.db2.gz BWPPSDPZCZHNRD-GXTWGEPZSA-N 0 3 250.317 2.292 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccncc1F ZINC000449297252 330912732 /nfs/dbraw/zinc/91/27/32/330912732.db2.gz BWPPSDPZCZHNRD-TZMCWYRMSA-N 0 3 250.317 2.292 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000450579434 330987694 /nfs/dbraw/zinc/98/76/94/330987694.db2.gz MGFHHTJLLSYACI-CHWSQXEVSA-N 0 3 282.453 2.237 20 30 CEEDHN C=CCOCCN1CC(C)(C)N(CCOCC=C)C[C@@H]1C ZINC000451082745 331015249 /nfs/dbraw/zinc/01/52/49/331015249.db2.gz NBMMVWBEPGLWNW-INIZCTEOSA-N 0 3 296.455 2.176 20 30 CEEDHN COC(=O)[C@@H]1CCCC[C@@H]1NCC#Cc1ccc(F)cc1 ZINC000451585671 331035279 /nfs/dbraw/zinc/03/52/79/331035279.db2.gz CNLSMWAGPIFROJ-CVEARBPZSA-N 0 3 289.350 2.499 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(C)cc1C ZINC000451605844 331036279 /nfs/dbraw/zinc/03/62/79/331036279.db2.gz KQLWMDKFLVVNLO-CABCVRRESA-N 0 3 274.364 2.175 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cc(C)ccc1C ZINC000451609815 331036722 /nfs/dbraw/zinc/03/67/22/331036722.db2.gz WGQFOBXPPVISLU-HIFRSBDPSA-N 0 3 274.364 2.175 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000451610148 331036794 /nfs/dbraw/zinc/03/67/94/331036794.db2.gz XNSCHYXBCBGXPO-FZQKWOKYSA-N 0 3 296.317 2.225 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@]2(CCSC2)C1 ZINC000451964079 331048593 /nfs/dbraw/zinc/04/85/93/331048593.db2.gz JHMIOZVTZOPUQH-INIZCTEOSA-N 0 3 294.464 2.406 20 30 CEEDHN CN(C)C(=O)N[C@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000451984995 331049354 /nfs/dbraw/zinc/04/93/54/331049354.db2.gz DKTHONOSBZYYKW-ZDUSSCGKSA-N 0 3 280.416 2.052 20 30 CEEDHN CC(C#N)C(=O)NCCOc1ccc(Cl)c(F)c1 ZINC000452790587 331078079 /nfs/dbraw/zinc/07/80/79/331078079.db2.gz FSTGNWPITUPNNF-MRVPVSSYSA-N 0 3 270.691 2.134 20 30 CEEDHN C=CC(C)(C)CNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000454817247 331154339 /nfs/dbraw/zinc/15/43/39/331154339.db2.gz NZEMFJAYTNWWGQ-GFCCVEGCSA-N 0 3 265.401 2.148 20 30 CEEDHN C=C(CC)CNC(=O)N(C)C[C@@H]1CCCN1CC ZINC000455515902 331171318 /nfs/dbraw/zinc/17/13/18/331171318.db2.gz BYZQYORMGGLPSR-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN C[C@@H](CN(C)C)NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455739422 331176728 /nfs/dbraw/zinc/17/67/28/331176728.db2.gz WSXYHVDIORUEFJ-JTQLQIEISA-N 0 3 294.786 2.478 20 30 CEEDHN CCN(CCNC(=O)Nc1cccc(CC#N)c1)C1CC1 ZINC000455922658 331181197 /nfs/dbraw/zinc/18/11/97/331181197.db2.gz RLWDZEAZPMNJBZ-UHFFFAOYSA-N 0 3 286.379 2.358 20 30 CEEDHN CC1(C)COC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000456536734 331195235 /nfs/dbraw/zinc/19/52/35/331195235.db2.gz JATKMYJEPOCTLT-LSDHHAIUSA-N 0 3 286.375 2.300 20 30 CEEDHN CC1(C)CCCN1CCNC(=O)C1(C#N)CCCCC1 ZINC000457085328 331211844 /nfs/dbraw/zinc/21/18/44/331211844.db2.gz ZMSWMRYFGPSYAX-UHFFFAOYSA-N 0 3 277.412 2.451 20 30 CEEDHN C[C@@H]1CC[C@@H](CNC(=O)C(C#N)CCc2ccccc2)O1 ZINC000457360973 331219945 /nfs/dbraw/zinc/21/99/45/331219945.db2.gz KJSSABQGFCXXPT-KBMXLJTQSA-N 0 3 286.375 2.443 20 30 CEEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ccn(C)n1 ZINC000458295967 331247559 /nfs/dbraw/zinc/24/75/59/331247559.db2.gz QOEFHLOJUXUPOV-DZGCQCFKSA-N 0 3 296.374 2.370 20 30 CEEDHN CC#CCCNC(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000458665050 331256442 /nfs/dbraw/zinc/25/64/42/331256442.db2.gz SKIUIXAKBXEXMC-HNNXBMFYSA-N 0 3 279.428 2.210 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000458700885 331257203 /nfs/dbraw/zinc/25/72/03/331257203.db2.gz FQSAFZFRYHSDAB-CQSZACIVSA-N 0 3 292.427 2.194 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)NCC(C)(C)CCC#N)C1 ZINC000458766583 331259390 /nfs/dbraw/zinc/25/93/90/331259390.db2.gz NCOKSDSFKVWVPG-CQSZACIVSA-N 0 3 294.443 2.440 20 30 CEEDHN C=C(C)CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000458993015 331264891 /nfs/dbraw/zinc/26/48/91/331264891.db2.gz DZGQSCFCHADNMW-QLFBSQMISA-N 0 3 279.428 2.324 20 30 CEEDHN CC(C)(C)c1nc(CN[C@@H]2CCC[C@@H](C#N)C2)n[nH]1 ZINC000459684686 331294347 /nfs/dbraw/zinc/29/43/47/331294347.db2.gz VFAHBENCRMIVKA-GHMZBOCLSA-N 0 3 261.373 2.274 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)C1CC(C)(C)C1 ZINC000459743172 331297481 /nfs/dbraw/zinc/29/74/81/331297481.db2.gz PCGWPYDNWPRCAB-OAHLLOKOSA-N 0 3 265.401 2.161 20 30 CEEDHN COCCN(Cc1ccc(CC#N)cc1)[C@@H]1CCO[C@@H]1C ZINC000489439164 332052399 /nfs/dbraw/zinc/05/23/99/332052399.db2.gz QJQBYMKTQDKIEI-RHSMWYFYSA-N 0 3 288.391 2.378 20 30 CEEDHN C=C[C@@H]1CCCCN1CCc1nnnn1-c1ccccc1 ZINC000489450478 332053419 /nfs/dbraw/zinc/05/34/19/332053419.db2.gz QZTSUWNIIGYIQI-CQSZACIVSA-N 0 3 283.379 2.245 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000490384220 332088121 /nfs/dbraw/zinc/08/81/21/332088121.db2.gz YQROCJBZKHSUEF-AWEZNQCLSA-N 0 3 275.396 2.277 20 30 CEEDHN C#C[C@H](C)N(C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000490719916 332108728 /nfs/dbraw/zinc/10/87/28/332108728.db2.gz PDCZVERFHAJXNF-NSHDSACASA-N 0 3 274.755 2.374 20 30 CEEDHN C#CCN1CCC(C(=O)NCCCc2cccs2)CC1 ZINC000490913172 332128483 /nfs/dbraw/zinc/12/84/83/332128483.db2.gz BUYBFMVPSOHYQB-UHFFFAOYSA-N 0 3 290.432 2.142 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1sc(C(C)C)nc1C ZINC000491231253 332170872 /nfs/dbraw/zinc/17/08/72/332170872.db2.gz RMLHHPOVXDTVEI-UHFFFAOYSA-N 0 3 293.436 2.260 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000491347923 332194117 /nfs/dbraw/zinc/19/41/17/332194117.db2.gz AVHRFTYBPSZCHW-LZWOXQAQSA-N 0 3 287.407 2.341 20 30 CEEDHN C#C[C@H](CCC)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000491427148 332209632 /nfs/dbraw/zinc/20/96/32/332209632.db2.gz JGPDMSZODXVVAQ-DOMZBBRYSA-N 0 3 268.376 2.117 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCCC[C@@H]1CC ZINC000491507549 332225601 /nfs/dbraw/zinc/22/56/01/332225601.db2.gz VVXAYWADSMSPGA-GJZGRUSLSA-N 0 3 264.413 2.274 20 30 CEEDHN CC(C#N)C(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000491568544 332239850 /nfs/dbraw/zinc/23/98/50/332239850.db2.gz NGWBFRJEVWOZAS-LLVKDONJSA-N 0 3 295.383 2.004 20 30 CEEDHN C#C[C@H](NC(=O)C1CCN(C2CC2)CC1)C(C)(C)C ZINC000491627945 332251184 /nfs/dbraw/zinc/25/11/84/332251184.db2.gz KFHLGMJKBYTJDP-AWEZNQCLSA-N 0 3 262.397 2.025 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C\Sc1ccccc1 ZINC000491691874 332288584 /nfs/dbraw/zinc/28/85/84/332288584.db2.gz QEBOCDPWXUAEFM-UVTDQMKNSA-N 0 3 288.416 2.364 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H](C(C)C)C1 ZINC000491692969 332289408 /nfs/dbraw/zinc/28/94/08/332289408.db2.gz CCOVIKUUISCUAX-OAHLLOKOSA-N 0 3 279.428 2.019 20 30 CEEDHN C#C[C@H](NCc1cn(-c2ccncc2)nc1C)C(C)C ZINC000491704756 332298061 /nfs/dbraw/zinc/29/80/61/332298061.db2.gz USDWNSMYQWNKOD-INIZCTEOSA-N 0 3 268.364 2.323 20 30 CEEDHN C#CC(C)(C)N(C)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000491752082 332328258 /nfs/dbraw/zinc/32/82/58/332328258.db2.gz VOQTZHDIHCHPHI-MRXNPFEDSA-N 0 3 272.392 2.235 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000491764751 332333426 /nfs/dbraw/zinc/33/34/26/332333426.db2.gz DFJYZGZUFRVLSD-JYJNAYRXSA-N 0 3 291.439 2.162 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)c1ccccc1OCCN(C)C ZINC000491780561 332344790 /nfs/dbraw/zinc/34/47/90/332344790.db2.gz IYLBOBMNUTXJQD-AWEZNQCLSA-N 0 3 288.391 2.159 20 30 CEEDHN C#CCN(C)CCCNC(=O)N([C@H](C)C(C)C)C1CC1 ZINC000491784533 332347932 /nfs/dbraw/zinc/34/79/32/332347932.db2.gz PYHBLOOYRQMSQF-CQSZACIVSA-N 0 3 279.428 2.160 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(C2CC2)cc1 ZINC000491790199 332352084 /nfs/dbraw/zinc/35/20/84/332352084.db2.gz XSDRVNAVQLYXFW-CYBMUJFWSA-N 0 3 270.376 2.354 20 30 CEEDHN CN(C)C/C=C\C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000491871500 332372971 /nfs/dbraw/zinc/37/29/71/332372971.db2.gz QQJXMYHKDNXREM-DHCBQETCSA-N 0 3 277.755 2.139 20 30 CEEDHN CN(C)C/C=C\C(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000491895175 332374236 /nfs/dbraw/zinc/37/42/36/332374236.db2.gz VQOSRYPVOURABE-UJZCVKTISA-N 0 3 277.755 2.139 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C\c2cccnc2C)CC1 ZINC000492997087 332422041 /nfs/dbraw/zinc/42/20/41/332422041.db2.gz WQPCEMDJRSSKAD-SREVYHEPSA-N 0 3 285.391 2.170 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C\C2CCCC2)CC1 ZINC000493383519 332437854 /nfs/dbraw/zinc/43/78/54/332437854.db2.gz JCODUQBQCSSEIL-HJWRWDBZSA-N 0 3 274.408 2.337 20 30 CEEDHN C=CCCC[C@H](C)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494455919 332474106 /nfs/dbraw/zinc/47/41/06/332474106.db2.gz WKVYOMLCJCUYKK-AWEZNQCLSA-N 0 3 282.428 2.300 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2cccc(N3CCOC3=O)c2)C1 ZINC000496873119 332563094 /nfs/dbraw/zinc/56/30/94/332563094.db2.gz GWBFTRQKPBWQSR-JSGCOSHPSA-N 0 3 285.347 2.425 20 30 CEEDHN C#C[C@@H](NC[C@@H](O)c1ccc(F)cc1F)C(C)C ZINC000305966150 333002745 /nfs/dbraw/zinc/00/27/45/333002745.db2.gz XWKFYDGHCDAZDW-ZIAGYGMSSA-N 0 3 253.292 2.246 20 30 CEEDHN C#CCN(CCn1c(C)csc1=O)C1CCCC1 ZINC000176378941 333041474 /nfs/dbraw/zinc/04/14/74/333041474.db2.gz OHAMVWDZHTUQQE-UHFFFAOYSA-N 0 3 264.394 2.096 20 30 CEEDHN C[C@H]1Cc2cc(C(=O)C(C#N)c3ccncn3)ccc2O1 ZINC000516980983 333088734 /nfs/dbraw/zinc/08/87/34/333088734.db2.gz FOMYAJXRUBLQBN-GWCFXTLKSA-N 0 3 279.299 2.290 20 30 CEEDHN C[C@@H](NC(=O)CSCC#N)[C@H](c1ccccc1)N(C)C ZINC000187198159 333168576 /nfs/dbraw/zinc/16/85/76/333168576.db2.gz PFRNOSKYFGASBN-IUODEOHRSA-N 0 3 291.420 2.051 20 30 CEEDHN C=CCOc1ccc(CNCCN2CCSCC2)cc1 ZINC000226247603 333255048 /nfs/dbraw/zinc/25/50/48/333255048.db2.gz BWBJIAHEKKXTQU-UHFFFAOYSA-N 0 3 292.448 2.390 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(CO)ccc1F ZINC000528519508 333443857 /nfs/dbraw/zinc/44/38/57/333443857.db2.gz NWHMCHCRMZWWDF-CABCVRRESA-N 0 3 265.328 2.141 20 30 CEEDHN N#CCCOCCN1CCC(C(F)(F)F)CC1 ZINC000339010238 335141229 /nfs/dbraw/zinc/14/12/29/335141229.db2.gz WIIQUUDXMKCANR-UHFFFAOYSA-N 0 3 250.264 2.191 20 30 CEEDHN C[C@@H](NC1(C2CC2)CC1)C(=O)NC1(C#N)CCCCC1 ZINC000544415664 333930486 /nfs/dbraw/zinc/93/04/86/333930486.db2.gz QHFPYDYDQZJCGM-GFCCVEGCSA-N 0 3 275.396 2.250 20 30 CEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000133874584 334066774 /nfs/dbraw/zinc/06/67/74/334066774.db2.gz LBKGZBYLFHVODC-STQMWFEESA-N 0 3 266.385 2.245 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000555332956 334474882 /nfs/dbraw/zinc/47/48/82/334474882.db2.gz SJEHNKKSGJLZDU-YCPHGPKFSA-N 0 3 283.375 2.464 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCCC2(C)C)CC1 ZINC000157020791 334756550 /nfs/dbraw/zinc/75/65/50/334756550.db2.gz GOOSOVDRZAHZLW-HNNXBMFYSA-N 0 3 276.424 2.417 20 30 CEEDHN C=CCCCCCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000577505016 335361157 /nfs/dbraw/zinc/36/11/57/335361157.db2.gz BDDZMXQNSGWCOH-HNNXBMFYSA-N 0 3 277.412 2.389 20 30 CEEDHN C[C@@H](Cc1ccc(O)cc1)NC[C@@H](C#N)CCC#N ZINC000579344789 335736285 /nfs/dbraw/zinc/73/62/85/335736285.db2.gz KJWAINZQYANYDD-GXTWGEPZSA-N 0 3 257.337 2.356 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](CC)[C@H]1CCCO1 ZINC000182362433 335813413 /nfs/dbraw/zinc/81/34/13/335813413.db2.gz OBKKPTONHLVYPR-RRFJBIMHSA-N 0 3 282.428 2.347 20 30 CEEDHN C=CCCCCCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000581496981 336090116 /nfs/dbraw/zinc/09/01/16/336090116.db2.gz HROMMEXLFPIICR-OAHLLOKOSA-N 0 3 299.484 2.469 20 30 CEEDHN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)CC1CCN(C)CC1 ZINC000330199716 534063398 /nfs/dbraw/zinc/06/33/98/534063398.db2.gz VUDUOZNYJWSRFT-ZWNOBZJWSA-N 0 3 267.373 2.040 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC(CC#N)CC1 ZINC000336593457 534224571 /nfs/dbraw/zinc/22/45/71/534224571.db2.gz PNTKVOHVLGIPJL-BETUJISGSA-N 0 3 263.385 2.011 20 30 CEEDHN CC(C#N)C(=O)N(C)CCOc1ccccc1Cl ZINC000347042547 534281601 /nfs/dbraw/zinc/28/16/01/534281601.db2.gz CLBIRHGDQHRYLH-SNVBAGLBSA-N 0 3 266.728 2.337 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccccc1Br ZINC000347037089 534282871 /nfs/dbraw/zinc/28/28/71/534282871.db2.gz NBOQMRGLPIZIMA-SECBINFHSA-N 0 3 281.153 2.267 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000347128512 534284406 /nfs/dbraw/zinc/28/44/06/534284406.db2.gz GCEPTSOMPIFJJK-KWCYVHTRSA-N 0 3 258.321 2.183 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(C#N)cc1 ZINC000048069288 519775579 /nfs/dbraw/zinc/77/55/79/519775579.db2.gz QCPSNNNYWLTSFD-HNNXBMFYSA-N 0 3 273.380 2.264 20 30 CEEDHN COC(=O)[C@H]1CN(Cc2ccc(C#N)cc2)CC1(C)C ZINC000366688669 523975236 /nfs/dbraw/zinc/97/52/36/523975236.db2.gz XIQXCZINTNOIKW-CQSZACIVSA-N 0 3 272.348 2.189 20 30 CEEDHN Cc1ccc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1C#N ZINC000366557406 526127877 /nfs/dbraw/zinc/12/78/77/526127877.db2.gz IPSWIIULAHQKPP-QGZVFWFLSA-N 0 3 283.375 2.035 20 30 CEEDHN CC(C)(C)N1CCCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000336033179 526285928 /nfs/dbraw/zinc/28/59/28/526285928.db2.gz PBEWDQULNHVMGZ-ZIAGYGMSSA-N 0 3 292.427 2.194 20 30 CEEDHN CC(C)(C)N1CCCN(C(=O)NCC2(C#N)CCC2)CC1 ZINC000335295159 526287243 /nfs/dbraw/zinc/28/72/43/526287243.db2.gz NWTNPZWNZJSMCK-UHFFFAOYSA-N 0 3 292.427 2.196 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000336518946 526427535 /nfs/dbraw/zinc/42/75/35/526427535.db2.gz HGDGTOVPMZZRGH-CYBMUJFWSA-N 0 3 265.401 2.078 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CSC[C@H]2C)CC1 ZINC000344829250 526593817 /nfs/dbraw/zinc/59/38/17/526593817.db2.gz NNDJHHZHHBXOPG-TZMCWYRMSA-N 0 3 297.468 2.078 20 30 CEEDHN N#Cc1ccc(CNCCN2CCCCC2)c(F)c1 ZINC000049575194 526622761 /nfs/dbraw/zinc/62/27/61/526622761.db2.gz AZSSGCHLWRXGKO-UHFFFAOYSA-N 0 3 261.344 2.273 20 30 CEEDHN CC(=O)N1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000329990727 526656108 /nfs/dbraw/zinc/65/61/08/526656108.db2.gz WLRKEAXHTWYAPX-GJZGRUSLSA-N 0 3 295.427 2.074 20 30 CEEDHN C#CCOc1ccc(CNCCc2nccs2)cc1 ZINC000113331372 527105151 /nfs/dbraw/zinc/10/51/51/527105151.db2.gz OOCNTVZDGTXUDG-UHFFFAOYSA-N 0 3 272.373 2.487 20 30 CEEDHN C=CCCCCNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000353310205 527153244 /nfs/dbraw/zinc/15/32/44/527153244.db2.gz XOVGFMWMUHFEKG-ZIAGYGMSSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(OC)cc1Cl ZINC000351591825 527209798 /nfs/dbraw/zinc/20/97/98/527209798.db2.gz HRWBLBBRMWJTMC-LLVKDONJSA-N 0 3 255.745 2.375 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CCN[C@H](C)[C@H]1C ZINC000417980152 527288214 /nfs/dbraw/zinc/28/82/14/527288214.db2.gz JYKFWUNUBRNKDF-YNEHKIRRSA-N 0 3 253.390 2.123 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000353200992 527616449 /nfs/dbraw/zinc/61/64/49/527616449.db2.gz KWDCNSIMRNHAGT-ZDUSSCGKSA-N 0 3 298.390 2.414 20 30 CEEDHN CCOC(=O)C[C@H](NC(=O)C(C)C#N)c1ccc(F)cc1 ZINC000347031725 528899429 /nfs/dbraw/zinc/89/94/29/528899429.db2.gz FGIWDVXHZFTZQB-MFKMUULPSA-N 0 3 292.310 2.096 20 30 CEEDHN CC[C@@H]1CCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2ccnc2C1 ZINC000330196069 529308658 /nfs/dbraw/zinc/30/86/58/529308658.db2.gz PREMZCLZAZNDCZ-UPJWGTAASA-N 0 3 276.384 2.280 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)nc1 ZINC000728801302 574470252 /nfs/dbraw/zinc/47/02/52/574470252.db2.gz WUKRBVIXFNFNSH-KRWDZBQOSA-N 0 3 293.370 2.096 20 30 CEEDHN C#Cc1ccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)nc1 ZINC000728865202 574472976 /nfs/dbraw/zinc/47/29/76/574472976.db2.gz ABVOEGJCYAHHAX-MRXNPFEDSA-N 0 3 297.402 2.153 20 30 CEEDHN C=CCCOCC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000731467332 574596367 /nfs/dbraw/zinc/59/63/67/574596367.db2.gz ZGEQTXSWOVFFMN-HNNXBMFYSA-N 0 3 288.391 2.099 20 30 CEEDHN C=C(Cl)CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000764783330 574602900 /nfs/dbraw/zinc/60/29/00/574602900.db2.gz KKJXOVMNFPIYGS-LBPRGKRZSA-N 0 3 271.792 2.055 20 30 CEEDHN C=CC1CCN(C(=S)NC[C@H]2CCCN2CC)CC1 ZINC000731943411 574606846 /nfs/dbraw/zinc/60/68/46/574606846.db2.gz YCKNZYPBYVQKTI-CQSZACIVSA-N 0 3 281.469 2.243 20 30 CEEDHN C#Cc1cccc(NC(=S)N[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000741502597 574603946 /nfs/dbraw/zinc/60/39/46/574603946.db2.gz HBHPJCTVMWKRQH-DOMZBBRYSA-N 0 3 287.432 2.437 20 30 CEEDHN CC(C)(C)[C@@H]1CCCN(CC(=O)NCCC#N)CC1 ZINC000734837762 574732661 /nfs/dbraw/zinc/73/26/61/574732661.db2.gz SMWFHSDGMUHWSB-CYBMUJFWSA-N 0 3 265.401 2.164 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCn3cccn3)nc21 ZINC000735792182 574766937 /nfs/dbraw/zinc/76/69/37/574766937.db2.gz IZZWUVRHXOWJAD-LBPRGKRZSA-N 0 3 293.330 2.334 20 30 CEEDHN COc1cc(CNC(=O)C(C)C#N)ccc1OC(C)C ZINC000736668745 574794158 /nfs/dbraw/zinc/79/41/58/574794158.db2.gz FHCVUHFPCLDXJZ-NSHDSACASA-N 0 3 276.336 2.258 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000736673352 574794375 /nfs/dbraw/zinc/79/43/75/574794375.db2.gz JBFYDBHAGKCXKU-JSGCOSHPSA-N 0 3 288.347 2.059 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CCOC1 ZINC000740528873 574958009 /nfs/dbraw/zinc/95/80/09/574958009.db2.gz ZQGCJVCTLXQWJR-RYUDHWBXSA-N 0 3 283.331 2.176 20 30 CEEDHN C=C(C)CNC(=S)N(C)[C@H]1CCN(CC)[C@H](C)C1 ZINC000740634082 574962594 /nfs/dbraw/zinc/96/25/94/574962594.db2.gz JAKQKXVNHDTRFE-OLZOCXBDSA-N 0 3 269.458 2.242 20 30 CEEDHN C#CCCN1CCC(NC(=O)Cc2ccccc2C)CC1 ZINC000740736165 574967139 /nfs/dbraw/zinc/96/71/39/574967139.db2.gz HIBLALJTDBGJIT-UHFFFAOYSA-N 0 3 284.403 2.141 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2cccc(F)c2F)CC1 ZINC000740736326 574967260 /nfs/dbraw/zinc/96/72/60/574967260.db2.gz OSJMRTNMWWCGLI-UHFFFAOYSA-N 0 3 292.329 2.182 20 30 CEEDHN CCCCCCCN1CCCC[C@H]1CNS(C)(=O)=O ZINC000740874756 574970719 /nfs/dbraw/zinc/97/07/19/574970719.db2.gz GRCTUGZYHSCACN-AWEZNQCLSA-N 0 3 290.473 2.361 20 30 CEEDHN C[C@@H]1CCN(CCNC(=O)/C=C\c2ccccc2C#N)C1 ZINC000744799539 575126782 /nfs/dbraw/zinc/12/67/82/575126782.db2.gz NRGJATWDUWFXFZ-LMVHVUTASA-N 0 3 283.375 2.029 20 30 CEEDHN C[C@H]1CCN(CCNC(=O)/C=C/c2ccccc2C#N)C1 ZINC000744799541 575126904 /nfs/dbraw/zinc/12/69/04/575126904.db2.gz NRGJATWDUWFXFZ-UZYOAWRESA-N 0 3 283.375 2.029 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)N1CCCCC1 ZINC000747810520 575175315 /nfs/dbraw/zinc/17/53/15/575175315.db2.gz WLWFACVBLWZPFO-CQSZACIVSA-N 0 3 285.391 2.471 20 30 CEEDHN C#CCN(CC)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000749155086 575207675 /nfs/dbraw/zinc/20/76/75/575207675.db2.gz LUIYQQRRUFDGFM-CYBMUJFWSA-N 0 3 266.385 2.199 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)C(C)(C)C1 ZINC000972805207 613032242 /nfs/dbraw/zinc/03/22/42/613032242.db2.gz FSLPKLLSWCCWPT-CYBMUJFWSA-N 0 3 293.798 2.132 20 30 CEEDHN C#CCCCC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823840775 609343508 /nfs/dbraw/zinc/34/35/08/609343508.db2.gz FSZJQODUZUAFQJ-LLVKDONJSA-N 0 3 287.342 2.460 20 30 CEEDHN C#CCCCC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823840775 609343510 /nfs/dbraw/zinc/34/35/10/609343510.db2.gz FSZJQODUZUAFQJ-LLVKDONJSA-N 0 3 287.342 2.460 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC000970437104 612962224 /nfs/dbraw/zinc/96/22/24/612962224.db2.gz IJOONJYFTIONJB-WDEREUQCSA-N 0 3 296.823 2.329 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2c(C)csc2Cl)C1 ZINC000970583379 612964098 /nfs/dbraw/zinc/96/40/98/612964098.db2.gz CQYVMRCJBBKONE-SNVBAGLBSA-N 0 3 282.796 2.147 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C2(c3cc(C)cc(C)c3)CC2)C1 ZINC000970731831 612960083 /nfs/dbraw/zinc/96/00/83/612960083.db2.gz DSGLEBUEZLDGBU-QGZVFWFLSA-N 0 3 296.414 2.159 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000970645859 612960216 /nfs/dbraw/zinc/96/02/16/612960216.db2.gz DQHKNNWYIYMOMA-QGZVFWFLSA-N 0 3 296.414 2.322 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC000969893931 612961346 /nfs/dbraw/zinc/96/13/46/612961346.db2.gz OLHQVRMNZWOSFE-XJKSGUPXSA-N 0 3 288.366 2.143 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C(C)C)nc2CC)C1 ZINC000969985671 612965356 /nfs/dbraw/zinc/96/53/56/612965356.db2.gz LVXQJVHKXIZQAN-CQSZACIVSA-N 0 3 299.418 2.205 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2oc3c(cccc3C)c2C)C1 ZINC000970801343 612968136 /nfs/dbraw/zinc/96/81/36/612968136.db2.gz YCPASVHBOPRFQH-CQSZACIVSA-N 0 3 296.370 2.487 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000969463764 612996007 /nfs/dbraw/zinc/99/60/07/612996007.db2.gz UMWJEFJROABFRD-LBPRGKRZSA-N 0 3 276.424 2.128 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H]2CCCC23CC3)CC1 ZINC000981441672 613004514 /nfs/dbraw/zinc/00/45/14/613004514.db2.gz BHLOQQVPHZCIAZ-OAHLLOKOSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)CC2CCCC2)C1 ZINC000964799732 613013721 /nfs/dbraw/zinc/01/37/21/613013721.db2.gz DWQIWVAKZAWKRU-ZBFHGGJFSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC000967280383 613013823 /nfs/dbraw/zinc/01/38/23/613013823.db2.gz XSPLTNGUCVJWGU-AEFFLSMTSA-N 0 3 298.430 2.387 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C2CCCCC2)C1 ZINC000964740664 613024143 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CC#CCN1CCC[C@H](CNC(=O)c2ncccc2CC)C1 ZINC001023453756 625017017 /nfs/dbraw/zinc/01/70/17/625017017.db2.gz HDCXINVNFRWPKG-OAHLLOKOSA-N 0 3 299.418 2.109 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ncc(C)cc2C)C1 ZINC001023504073 625027864 /nfs/dbraw/zinc/02/78/64/625027864.db2.gz ZHMLUMNAMWTTPI-MRXNPFEDSA-N 0 3 299.418 2.164 20 30 CEEDHN Cc1cc(N(C)C)ccc1C=NN[C@@H]1CCCOC1 ZINC000841637010 625077553 /nfs/dbraw/zinc/07/75/53/625077553.db2.gz DLIVKJVQWGVWLP-CQSZACIVSA-N 0 3 261.369 2.164 20 30 CEEDHN C=CCN1CCC[C@H](CNC(=O)c2ncoc2C2CC2)C1 ZINC001023688339 625123542 /nfs/dbraw/zinc/12/35/42/625123542.db2.gz UWMDQILLDPBFOI-GFCCVEGCSA-N 0 3 289.379 2.180 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001023709330 625131195 /nfs/dbraw/zinc/13/11/95/625131195.db2.gz RQQRZUMAJYDJTB-JYJNAYRXSA-N 0 3 276.424 2.274 20 30 CEEDHN C=CCN1CCC[C@@H](CNC(=O)c2c(C)onc2CC)C1 ZINC001023744881 625177352 /nfs/dbraw/zinc/17/73/52/625177352.db2.gz WLARFBQVDNZETJ-ZDUSSCGKSA-N 0 3 291.395 2.173 20 30 CEEDHN C=CCN1CCC(Nc2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000892396353 625207219 /nfs/dbraw/zinc/20/72/19/625207219.db2.gz GTDGMHWNHBMZNP-UHFFFAOYSA-N 0 3 292.339 2.061 20 30 CEEDHN CC1(C)CNC(=O)[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000926602699 625241496 /nfs/dbraw/zinc/24/14/96/625241496.db2.gz MYDFOBVHQYWUDT-LSDHHAIUSA-N 0 3 283.375 2.050 20 30 CEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cn(CC)cn1 ZINC001024764952 625797241 /nfs/dbraw/zinc/79/72/41/625797241.db2.gz XXJZZQMRLZCQDY-AWEZNQCLSA-N 0 3 290.411 2.063 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000892604128 627303908 /nfs/dbraw/zinc/30/39/08/627303908.db2.gz ZMWOABYRTSLHIY-LSDHHAIUSA-N 0 3 290.338 2.282 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C)c2)C1 ZINC001025329053 627636344 /nfs/dbraw/zinc/63/63/44/627636344.db2.gz NGLOYIXCWWMPJH-WBVHZDCISA-N 0 3 284.403 2.459 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccoc2CC)C1 ZINC001025404302 627677222 /nfs/dbraw/zinc/67/72/22/627677222.db2.gz LKPYGSNUWHOFDF-ZIAGYGMSSA-N 0 3 288.391 2.306 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C23CCC(CC2)C3)C1 ZINC001025458316 627704394 /nfs/dbraw/zinc/70/43/94/627704394.db2.gz IBYCVEZAORFBMB-JBCIKUTRSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C)cc(C)n2)C1 ZINC001025462667 627708898 /nfs/dbraw/zinc/70/88/98/627708898.db2.gz IIOFDARXKHSEPA-CVEARBPZSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)Cc2cccc3sccc32)C1 ZINC001019471014 627773140 /nfs/dbraw/zinc/77/31/40/627773140.db2.gz OHDKQICHDUZPKC-AWEZNQCLSA-N 0 3 298.411 2.268 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892787851 627773777 /nfs/dbraw/zinc/77/37/77/627773777.db2.gz BAFAQZLHYCKYSR-WMLDXEAASA-N 0 3 299.418 2.309 20 30 CEEDHN C=CC[C@@H](C)NCc1cn(Cc2ccccc2)nn1 ZINC000892949662 627887263 /nfs/dbraw/zinc/88/72/63/627887263.db2.gz AZZLIXCCVBFWLH-CYBMUJFWSA-N 0 3 256.353 2.381 20 30 CEEDHN Cc1cc(C#N)cc(C)c1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000893105540 628007825 /nfs/dbraw/zinc/00/78/25/628007825.db2.gz IDFGOYODNOLTKI-CQSZACIVSA-N 0 3 283.375 2.142 20 30 CEEDHN CCC(=O)N1C[C@@H]2CC[C@@H](NCc3ccccc3C#N)[C@H]2C1 ZINC001026159298 628057977 /nfs/dbraw/zinc/05/79/77/628057977.db2.gz ILGMWSKRIQCTTF-YESZJQIVSA-N 0 3 297.402 2.295 20 30 CEEDHN C=CCC1(C(=O)OCCN2CCCCC2)CCOCC1 ZINC000821151407 634642106 /nfs/dbraw/zinc/64/21/06/634642106.db2.gz BGGILXRXQZIFHG-UHFFFAOYSA-N 0 3 281.396 2.388 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001009154508 628589738 /nfs/dbraw/zinc/58/97/38/628589738.db2.gz PQJGKNBPQCLGTE-GDBMZVCRSA-N 0 3 276.424 2.417 20 30 CEEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2cc(C)no2)C1 ZINC001006720620 628630366 /nfs/dbraw/zinc/63/03/66/628630366.db2.gz IBURHDZWWHUGPP-CYBMUJFWSA-N 0 3 277.368 2.143 20 30 CEEDHN CC(C)N1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000219510695 628811491 /nfs/dbraw/zinc/81/14/91/628811491.db2.gz FDYYNHRUXDVCDS-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN COC(=O)[C@@H]1[C@H](CN[C@@H](C)c2ccc(C#N)cc2)C1(F)F ZINC000894164961 629179697 /nfs/dbraw/zinc/17/96/97/629179697.db2.gz LPXUUNDNCLHBJZ-XDTLVQLUSA-N 0 3 294.301 2.263 20 30 CEEDHN CCCCCCCCN(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000794784167 629319253 /nfs/dbraw/zinc/31/92/53/629319253.db2.gz GXFLRGPHBBAXOE-CQSZACIVSA-N 0 3 290.473 2.313 20 30 CEEDHN CN(C(=O)NCC1CCC(C#N)CC1)[C@@H]1CCCN(C)C1 ZINC000894595596 629554750 /nfs/dbraw/zinc/55/47/50/629554750.db2.gz MMJPUPBYHKLDHZ-YMAMQOFZSA-N 0 3 292.427 2.052 20 30 CEEDHN CN(C)CC#CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000894875680 629710020 /nfs/dbraw/zinc/71/00/20/629710020.db2.gz IAJQGAUTEBUFPD-UHFFFAOYSA-N 0 3 290.348 2.181 20 30 CEEDHN CN(C)CC#CCNc1nc(-c2ccccc2)ns1 ZINC000894876210 629710678 /nfs/dbraw/zinc/71/06/78/629710678.db2.gz OKMWNHQDXCWYTK-UHFFFAOYSA-N 0 3 272.377 2.182 20 30 CEEDHN Cc1cc(C#N)ccc1N(C)CCN1CC2(C1)CCOCC2 ZINC000895036171 629807886 /nfs/dbraw/zinc/80/78/86/629807886.db2.gz QRFBQOLHNBACOU-UHFFFAOYSA-N 0 3 299.418 2.415 20 30 CEEDHN CC1=C[C@H](C)C[C@@H](CN2CCN(C(=O)CC#N)CC2)C1 ZINC000895066899 629843191 /nfs/dbraw/zinc/84/31/91/629843191.db2.gz YXRZTGPNLVCUGI-DZGCQCFKSA-N 0 3 275.396 2.037 20 30 CEEDHN COC(=O)[C@H]1CC[C@H](NCC2(C#N)CCCC2)C1 ZINC000895133631 629941995 /nfs/dbraw/zinc/94/19/95/629941995.db2.gz NGOWIQCADVOMEP-RYUDHWBXSA-N 0 3 250.342 2.002 20 30 CEEDHN N#CC(C(=O)CCc1cnccn1)c1nc2ccccc2[nH]1 ZINC000796618505 629946067 /nfs/dbraw/zinc/94/60/67/629946067.db2.gz IZDHIGCNYCQBSP-LBPRGKRZSA-N 0 3 291.314 2.162 20 30 CEEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCC(F)F)c1 ZINC000796633461 629948779 /nfs/dbraw/zinc/94/87/79/629948779.db2.gz OSYHPMBPETUAPZ-NSHDSACASA-N 0 3 296.273 2.388 20 30 CEEDHN O=C1[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CCCN1[O-] ZINC000895162525 629982948 /nfs/dbraw/zinc/98/29/48/629982948.db2.gz MITNHUSASXOPCE-UBHUBRDASA-N 0 3 278.327 2.042 20 30 CEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)COC(F)F)cc1 ZINC000796796335 630009796 /nfs/dbraw/zinc/00/97/96/630009796.db2.gz CINZEAIXYQBYOO-LLVKDONJSA-N 0 3 296.273 2.136 20 30 CEEDHN COc1ccc(CN(C)C)cc1NC(=O)C#CC(C)C ZINC000821754681 634781555 /nfs/dbraw/zinc/78/15/55/634781555.db2.gz NYMRNTUSNIBBMU-UHFFFAOYSA-N 0 3 274.364 2.355 20 30 CEEDHN C[C@H](NCCc1ccccn1)c1cc(C#N)ccn1 ZINC000902721342 634793611 /nfs/dbraw/zinc/79/36/11/634793611.db2.gz XXABQKIDNLXGGR-LBPRGKRZSA-N 0 3 252.321 2.242 20 30 CEEDHN N#Cc1cnc(Cl)c(CNCC2CSC2)c1 ZINC000895423617 630186125 /nfs/dbraw/zinc/18/61/25/630186125.db2.gz QSPVSSQCPUUYPJ-UHFFFAOYSA-N 0 3 253.758 2.059 20 30 CEEDHN C#CCC(CC#C)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000839824970 630246161 /nfs/dbraw/zinc/24/61/61/630246161.db2.gz VKLHCBYFPANPJG-UHFFFAOYSA-N 0 3 286.350 2.489 20 30 CEEDHN CCOC(=O)C1=CC[C@@H](NCc2csc(C#N)c2)C1 ZINC000895596678 630270294 /nfs/dbraw/zinc/27/02/94/630270294.db2.gz BSGCSJUDYLARTF-GFCCVEGCSA-N 0 3 276.361 2.361 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1N[C@@H]1CCN(C)[C@@H]1C ZINC000895735371 630325344 /nfs/dbraw/zinc/32/53/44/630325344.db2.gz FBGNNYNSLHVIKL-QMTHXVAHSA-N 0 3 257.337 2.265 20 30 CEEDHN C#CCC1(NCc2cc(C#N)cnc2Cl)CCOCC1 ZINC000895895417 630388794 /nfs/dbraw/zinc/38/87/94/630388794.db2.gz ZLHGQBGHVPCXEO-UHFFFAOYSA-N 0 3 289.766 2.269 20 30 CEEDHN C=CCCCN(CC)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000896618120 630613373 /nfs/dbraw/zinc/61/33/73/630613373.db2.gz MMJSKKMXKZOMBZ-OLZOCXBDSA-N 0 3 253.390 2.077 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c([O-])cccc1OC ZINC000797878545 630771275 /nfs/dbraw/zinc/77/12/75/630771275.db2.gz ZDDJPVWMSSPSOK-BLLLJJGKSA-N 0 3 277.364 2.472 20 30 CEEDHN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000796629780 630872368 /nfs/dbraw/zinc/87/23/68/630872368.db2.gz ABBYXGRFVDHQKS-ONENECBXSA-N 0 3 275.352 2.331 20 30 CEEDHN C#CCN(Cc1ccc2c(c1)sc(=O)n2C)C(C)C ZINC000897171300 630973580 /nfs/dbraw/zinc/97/35/80/630973580.db2.gz VHRWIFBXXHWPOO-UHFFFAOYSA-N 0 3 274.389 2.444 20 30 CEEDHN Cc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1C#N ZINC000799342666 631017154 /nfs/dbraw/zinc/01/71/54/631017154.db2.gz NRZPVLDUJDFNEW-OAHLLOKOSA-N 0 3 271.364 2.033 20 30 CEEDHN Cc1ccc(C(=O)N2CCCN(C(C)C)CC2)cc1C#N ZINC000799604852 631049731 /nfs/dbraw/zinc/04/97/31/631049731.db2.gz FZNBAYPKYCVTIA-UHFFFAOYSA-N 0 3 285.391 2.423 20 30 CEEDHN CCCCCCCS(=O)(=O)NCCN1CC[C@@H](C)C1 ZINC000799778720 631076751 /nfs/dbraw/zinc/07/67/51/631076751.db2.gz CQTDSOVOIMFOOJ-CQSZACIVSA-N 0 3 290.473 2.218 20 30 CEEDHN CCCCCCCS(=O)(=O)NCC1(N(C)C)CCC1 ZINC000799816449 631081488 /nfs/dbraw/zinc/08/14/88/631081488.db2.gz NUVLZSSUUGMGRV-UHFFFAOYSA-N 0 3 290.473 2.361 20 30 CEEDHN N#CC(C(=O)[C@H]1CCCC(F)(F)C1)C(=O)N1CCCC1 ZINC000800384833 631117189 /nfs/dbraw/zinc/11/71/89/631117189.db2.gz LISSAZCGMUEAOI-WDEREUQCSA-N 0 3 284.306 2.143 20 30 CEEDHN C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC000985984129 631198960 /nfs/dbraw/zinc/19/89/60/631198960.db2.gz ICSJVBJEQVHJEF-GXTWGEPZSA-N 0 3 274.364 2.161 20 30 CEEDHN C[C@H](C#N)OCCN[C@@H](Cn1cccn1)c1ccccc1 ZINC000801933479 631360406 /nfs/dbraw/zinc/36/04/06/631360406.db2.gz SYSNCHXCOOAGSM-ZBFHGGJFSA-N 0 3 284.363 2.143 20 30 CEEDHN Cc1ccc([C@@H](C)NCCO[C@H](C)C#N)cc1[N+](=O)[O-] ZINC000801938684 631364332 /nfs/dbraw/zinc/36/43/32/631364332.db2.gz HOLCCODXDBSRMX-VXGBXAGGSA-N 0 3 277.324 2.483 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3cc(C)cn3c2)C1 ZINC000988933342 631709154 /nfs/dbraw/zinc/70/91/54/631709154.db2.gz JYCRPXPOGRQDDA-ZBFHGGJFSA-N 0 3 295.386 2.074 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(C)sc2C)C1 ZINC000989141210 631734492 /nfs/dbraw/zinc/73/44/92/631734492.db2.gz QGALBGRJMXDGTA-GWCFXTLKSA-N 0 3 276.405 2.191 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccccc2CC)C1 ZINC000989384280 631804054 /nfs/dbraw/zinc/80/40/54/631804054.db2.gz NBQPBOQQTBKCDE-ZFWWWQNUSA-N 0 3 270.376 2.075 20 30 CEEDHN N#C[C@H]1CCC[C@H](NCc2cnn(CCF)c2)C1 ZINC000897737369 631907361 /nfs/dbraw/zinc/90/73/61/631907361.db2.gz LREHYMOUUPUVIQ-AAEUAGOBSA-N 0 3 250.321 2.025 20 30 CEEDHN CN(CCCCC#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810072288 632176745 /nfs/dbraw/zinc/17/67/45/632176745.db2.gz CGVXWADDQLGVDG-UHFFFAOYSA-N 0 3 267.373 2.231 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(Cl)ccc2C)C1 ZINC000989570772 632206726 /nfs/dbraw/zinc/20/67/26/632206726.db2.gz BNAFSMZKUHENCG-JSGCOSHPSA-N 0 3 290.794 2.474 20 30 CEEDHN CCC[C@H](C(=O)C(C#N)C(=O)N1CCCC1)c1ccccn1 ZINC000810527114 632221966 /nfs/dbraw/zinc/22/19/66/632221966.db2.gz HWXQNQMTQUHQPL-UONOGXRCSA-N 0 3 299.374 2.297 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)C1(CCF)CC1 ZINC000810529184 632223420 /nfs/dbraw/zinc/22/34/20/632223420.db2.gz BAMLAXWJPCLOJH-GFCCVEGCSA-N 0 3 274.295 2.474 20 30 CEEDHN N#CC(C(=O)Cc1ccc(Cl)c(F)c1)C(=O)NC1CC1 ZINC000810531721 632223665 /nfs/dbraw/zinc/22/36/65/632223665.db2.gz PCQXPKRDIMZLPD-SNVBAGLBSA-N 0 3 294.713 2.009 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3[nH]ccc3s2)C1 ZINC000989730848 632231412 /nfs/dbraw/zinc/23/14/12/632231412.db2.gz QRMAICYCRREKPM-WDEREUQCSA-N 0 3 287.388 2.055 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3ncsc3c2)C1 ZINC000989752056 632239153 /nfs/dbraw/zinc/23/91/53/632239153.db2.gz KAMSKZDLSLJRIH-AAEUAGOBSA-N 0 3 299.399 2.122 20 30 CEEDHN C#Cc1ccccc1CC(=O)N(CCC)CCN(C)C ZINC000810615723 632240185 /nfs/dbraw/zinc/24/01/85/632240185.db2.gz PZVUHKQOUYPZDK-UHFFFAOYSA-N 0 3 272.392 2.011 20 30 CEEDHN N#Cc1ccccc1CNC1CCN(C(=O)CC2CC2)CC1 ZINC000989847963 632254421 /nfs/dbraw/zinc/25/44/21/632254421.db2.gz KIBWJEVGDWAMDJ-UHFFFAOYSA-N 0 3 297.402 2.439 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2coc3ccccc23)C1 ZINC000989857812 632256651 /nfs/dbraw/zinc/25/66/51/632256651.db2.gz RZVLFXVTYBSZDR-QWHCGFSZSA-N 0 3 282.343 2.259 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3cscn3)CCC[C@H]12 ZINC000990025718 632300890 /nfs/dbraw/zinc/30/08/90/632300890.db2.gz KJRSHGJHRRYZBO-JSGCOSHPSA-N 0 3 277.393 2.056 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3cscn3)CCC[C@@H]12 ZINC000990025719 632301399 /nfs/dbraw/zinc/30/13/99/632301399.db2.gz KJRSHGJHRRYZBO-OCCSQVGLSA-N 0 3 277.393 2.056 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)C3CC(C)(C)C3)CCC[C@@H]12 ZINC000990546363 632380695 /nfs/dbraw/zinc/38/06/95/632380695.db2.gz QZXJSUSWYXQNEQ-PBHICJAKSA-N 0 3 274.408 2.169 20 30 CEEDHN C#C[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC000811530752 632396500 /nfs/dbraw/zinc/39/65/00/632396500.db2.gz QVNCPOQGFLDKCG-MLGOLLRUSA-N 0 3 282.403 2.363 20 30 CEEDHN C[C@H](NCCO[C@@H]1CCOC1)c1ccc(C#N)c(F)c1 ZINC000927081222 632449284 /nfs/dbraw/zinc/44/92/84/632449284.db2.gz QHSNFZBJSSBQMZ-SMDDNHRTSA-N 0 3 278.327 2.153 20 30 CEEDHN CC(C)(C)[C@@H](C#N)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000813036857 632610722 /nfs/dbraw/zinc/61/07/22/632610722.db2.gz COTIQQLPXBNRGZ-IAQYHMDHSA-N 0 3 283.391 2.253 20 30 CEEDHN C=CCOc1cc(OC)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813101631 632621197 /nfs/dbraw/zinc/62/11/97/632621197.db2.gz FVOMFPICHMGMNE-JTQLQIEISA-N 0 3 295.291 2.082 20 30 CEEDHN CCC[C@H](C#N)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000813431712 632690888 /nfs/dbraw/zinc/69/08/88/632690888.db2.gz MCCFEZONOHQZFX-HZSPNIEDSA-N 0 3 286.331 2.099 20 30 CEEDHN C[C@H](NCCNc1ccc(C#N)cn1)c1ccoc1 ZINC000927163568 632692817 /nfs/dbraw/zinc/69/28/17/632692817.db2.gz FEKZELWUARQYGU-NSHDSACASA-N 0 3 256.309 2.309 20 30 CEEDHN CC[C@@H](C(=O)NCc1ccc(SC)c(C#N)c1)N(C)C ZINC000899376118 632809495 /nfs/dbraw/zinc/80/94/95/632809495.db2.gz GZMAWMGDZBFLHY-ZDUSSCGKSA-N 0 3 291.420 2.237 20 30 CEEDHN CC1/C(=C/c2cnn(CC3CCC3)c2)C(=O)c2ncnn21 ZINC000899381632 632822424 /nfs/dbraw/zinc/82/24/24/632822424.db2.gz QOKZYUFBSVOMER-YNHMVAKQSA-N 0 3 283.335 2.116 20 30 CEEDHN CCOC(=O)C[C@@H]1CCCC[C@@]1(O)CNCC(C)(C)C#N ZINC000905201011 635877558 /nfs/dbraw/zinc/87/75/58/635877558.db2.gz BPMBAXDAQXNJKL-XJKSGUPXSA-N 0 3 296.411 2.000 20 30 CEEDHN CCc1ccc(C#CC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000815772649 633059259 /nfs/dbraw/zinc/05/92/59/633059259.db2.gz OBGXWCOLZAFQJO-RHSMWYFYSA-N 0 3 296.414 2.342 20 30 CEEDHN C[C@@H]1CN(C2CC(OC(C)(C)C)C2)C[C@H](C)N1CC#N ZINC000878773527 651183444 /nfs/dbraw/zinc/18/34/44/651183444.db2.gz ZBHJNUYVHMLSQV-DGKWVBSXSA-N 0 3 279.428 2.251 20 30 CEEDHN C#C[C@H](NCc1ccc2c(c1)oc(=O)n2C)C(C)(C)C ZINC000816612314 633421398 /nfs/dbraw/zinc/42/13/98/633421398.db2.gz LWVMRUMMZKLVKL-AWEZNQCLSA-N 0 3 272.348 2.269 20 30 CEEDHN C#CC(C)(C)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900704461 633812892 /nfs/dbraw/zinc/81/28/92/633812892.db2.gz VVECXXFMGKIQQT-UHFFFAOYSA-N 0 3 269.348 2.432 20 30 CEEDHN C=CC[C@H](CO)NCc1cc(C(OC)OC)ccc1F ZINC000818204185 633883492 /nfs/dbraw/zinc/88/34/92/633883492.db2.gz QGJJAJFKNLYOKM-CYBMUJFWSA-N 0 3 283.343 2.144 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C(F)=C/C1CCCCC1 ZINC000818602770 633956368 /nfs/dbraw/zinc/95/63/68/633956368.db2.gz CXDHYHMVGIIGBX-SQFISAMPSA-N 0 3 280.387 2.491 20 30 CEEDHN C[C@H]1CN=C(NC(=O)C(C#N)CCc2ccccc2)S1 ZINC000819784341 634263244 /nfs/dbraw/zinc/26/32/44/634263244.db2.gz ZGTMURCBGANUPU-AAEUAGOBSA-N 0 3 287.388 2.366 20 30 CEEDHN CC(C)[C@@H](O)C1(CN[C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902896540 634885748 /nfs/dbraw/zinc/88/57/48/634885748.db2.gz LACNVYOBZOFMKP-SWLSCSKDSA-N 0 3 273.380 2.401 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@H](n3ccnn3)C2)cc1 ZINC000822503794 634932606 /nfs/dbraw/zinc/93/26/06/634932606.db2.gz LNJOHFQAIQWLKJ-INIZCTEOSA-N 0 3 296.374 2.127 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(C#N)ccn1 ZINC000903011346 634937818 /nfs/dbraw/zinc/93/78/18/634937818.db2.gz XMQCAUVOZIAFTF-LNSITVRQSA-N 0 3 257.337 2.337 20 30 CEEDHN CC[C@H]1CN(C)CCN1Cc1ccc(OCC#N)cc1 ZINC000823199738 635096836 /nfs/dbraw/zinc/09/68/36/635096836.db2.gz DLUPTLHYNKPQJF-HNNXBMFYSA-N 0 3 273.380 2.115 20 30 CEEDHN C#CC[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC000824021365 635324301 /nfs/dbraw/zinc/32/43/01/635324301.db2.gz MGCHZBNEUVESMC-AWEZNQCLSA-N 0 3 264.413 2.226 20 30 CEEDHN CCCCN([O-])C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000904213533 635521950 /nfs/dbraw/zinc/52/19/50/635521950.db2.gz SBIAIKUJEZMGLV-CYBMUJFWSA-N 0 3 286.441 2.222 20 30 CEEDHN C=CCC1(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCCC1 ZINC000825517555 635651772 /nfs/dbraw/zinc/65/17/72/635651772.db2.gz XCBCKRWPQPWEPQ-HUUCEWRRSA-N 0 3 292.423 2.102 20 30 CEEDHN C#C[C@H](C)N(C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000825710655 635700072 /nfs/dbraw/zinc/70/00/72/635700072.db2.gz WQCLSUZGNSFWLJ-XJKSGUPXSA-N 0 3 259.349 2.308 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C#Cc2cccs2)CC1 ZINC000825746340 635705964 /nfs/dbraw/zinc/70/59/64/635705964.db2.gz GMYGJEUUFCSWHQ-UHFFFAOYSA-N 0 3 288.416 2.256 20 30 CEEDHN COc1ccc(/C=C2\C(=O)c3ncnn3C2C)c(OC)c1 ZINC000905079910 635796071 /nfs/dbraw/zinc/79/60/71/635796071.db2.gz HADGBEOODZFOQM-DKBJHAQFSA-N 0 3 285.303 2.136 20 30 CEEDHN Cc1cc(N(C)C)ccc1/C=C1/C(=O)c2ncnn2C1C ZINC000905083837 635798377 /nfs/dbraw/zinc/79/83/77/635798377.db2.gz GAZPCCKPEOPHQV-KYJZABPNSA-N 0 3 282.347 2.493 20 30 CEEDHN COCc1csc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905084643 635799601 /nfs/dbraw/zinc/79/96/01/635799601.db2.gz JRFGZSGLSZZMAJ-ORMNHXAVSA-N 0 3 275.333 2.327 20 30 CEEDHN COc1cc(C)ccc1/C=C1/C(=O)c2ncnn2C1C ZINC000905086713 635800387 /nfs/dbraw/zinc/80/03/87/635800387.db2.gz TZDVTQNQEVWPCC-QVIVLVACSA-N 0 3 269.304 2.436 20 30 CEEDHN COc1cc(C)ccc1/C=C1/C(=O)c2ncnn2C1C ZINC000905086712 635800630 /nfs/dbraw/zinc/80/06/30/635800630.db2.gz TZDVTQNQEVWPCC-CEXMDJMXSA-N 0 3 269.304 2.436 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)c1cc(C#N)ccc1F ZINC000827204568 636254898 /nfs/dbraw/zinc/25/48/98/636254898.db2.gz XUWVFINYCVERCF-ZDUSSCGKSA-N 0 3 289.354 2.302 20 30 CEEDHN Cc1ccc(CNC[C@H](O)CC2(C#N)CC2)c(Cl)n1 ZINC000905433156 636279173 /nfs/dbraw/zinc/27/91/73/636279173.db2.gz WFEGHNHQRLRVDI-GFCCVEGCSA-N 0 3 279.771 2.188 20 30 CEEDHN C#C[C@@H](NCc1cc2ccccc2[nH]c1=O)C1CCOCC1 ZINC000827569508 636356256 /nfs/dbraw/zinc/35/62/56/636356256.db2.gz CBSHEODSHGQSOE-MRXNPFEDSA-N 0 3 296.370 2.458 20 30 CEEDHN C#C[C@@H](NCc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000827570927 636356728 /nfs/dbraw/zinc/35/67/28/636356728.db2.gz UZQZLJHLZOXJRC-OAHLLOKOSA-N 0 3 274.320 2.113 20 30 CEEDHN C#CCCN(CCOC)Cc1ccc(C#N)c(OC)c1 ZINC000827827646 636436262 /nfs/dbraw/zinc/43/62/62/636436262.db2.gz WGXWZWWYUBXYLA-UHFFFAOYSA-N 0 3 272.348 2.039 20 30 CEEDHN C=CC[C@H](NC[C@@H](C)N(C)Cc1ccccc1)C(=O)OC ZINC000905759274 636446095 /nfs/dbraw/zinc/44/60/95/636446095.db2.gz KILKZCZDTNOEEL-ZBFHGGJFSA-N 0 3 290.407 2.214 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000876503290 650292753 /nfs/dbraw/zinc/29/27/53/650292753.db2.gz FLUSPMSTFJKJBV-MNOVXSKESA-N 0 3 283.759 2.116 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)N2CCCC[C@@H]2C)C1 ZINC000829774286 636927146 /nfs/dbraw/zinc/92/71/46/636927146.db2.gz OPDSAOOXNXYVOL-LSDHHAIUSA-N 0 3 262.397 2.123 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000830167069 636997375 /nfs/dbraw/zinc/99/73/75/636997375.db2.gz GVCBVGSGDVYGSE-GXFFZTMASA-N 0 3 250.298 2.182 20 30 CEEDHN CC(C)N1CCC[C@H](NC(=O)c2ccsc2C#N)C1 ZINC000907434000 637023102 /nfs/dbraw/zinc/02/31/02/637023102.db2.gz XBDSFXLZDDRIJF-NSHDSACASA-N 0 3 277.393 2.222 20 30 CEEDHN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1CC(=O)NCCC#N ZINC000830440948 637071647 /nfs/dbraw/zinc/07/16/47/637071647.db2.gz YSOXZLFNNAEYKM-IIAWOOMASA-N 0 3 285.391 2.283 20 30 CEEDHN C#CCCCN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000830739044 637141693 /nfs/dbraw/zinc/14/16/93/637141693.db2.gz JDXUQMWPRRNMCO-JKSUJKDBSA-N 0 3 261.340 2.200 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc2c1CCN2 ZINC000876540362 650312994 /nfs/dbraw/zinc/31/29/94/650312994.db2.gz HLUNVIAOYDJQCC-JTQLQIEISA-N 0 3 265.744 2.063 20 30 CEEDHN CC(C)(C(=O)NCC1(CC#N)CC1)N1CCCCC1 ZINC000907936498 637171423 /nfs/dbraw/zinc/17/14/23/637171423.db2.gz VZPYMOOJGQEBTL-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC000907948192 637176044 /nfs/dbraw/zinc/17/60/44/637176044.db2.gz NAKQIVNGPUBIKF-CABCVRRESA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC000907948193 637176564 /nfs/dbraw/zinc/17/65/64/637176564.db2.gz NAKQIVNGPUBIKF-GJZGRUSLSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(NC(C)=O)c(C)c1 ZINC000876576110 650339925 /nfs/dbraw/zinc/33/99/25/650339925.db2.gz ATTHUNNHEWSPEH-LBPRGKRZSA-N 0 3 295.770 2.362 20 30 CEEDHN CCCN(CCN1CCCC1)C(=O)C#Cc1cccs1 ZINC000832384230 637563604 /nfs/dbraw/zinc/56/36/04/637563604.db2.gz KSQPOGHOBBFSEM-UHFFFAOYSA-N 0 3 290.432 2.434 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1cccc(C)c1 ZINC000876587439 650347099 /nfs/dbraw/zinc/34/70/99/650347099.db2.gz RXQVWHUVSSGQJS-CYBMUJFWSA-N 0 3 266.772 2.423 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000876619155 650362614 /nfs/dbraw/zinc/36/26/14/650362614.db2.gz PIPQRCMLCWEZPJ-JLLWLGSASA-N 0 3 258.793 2.399 20 30 CEEDHN CCN1CCCN(C(=O)c2ccccc2CC#N)[C@@H](C)C1 ZINC000910267727 637963412 /nfs/dbraw/zinc/96/34/12/637963412.db2.gz UGXFKVLKUIACGZ-AWEZNQCLSA-N 0 3 285.391 2.309 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000876656640 650381186 /nfs/dbraw/zinc/38/11/86/650381186.db2.gz SMTOBRPUVIXWEP-RYUDHWBXSA-N 0 3 258.793 2.351 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1C(C)C ZINC000876666050 650388438 /nfs/dbraw/zinc/38/84/38/650388438.db2.gz DFUCFWOPFKMAJG-NEPJUHHUSA-N 0 3 258.793 2.493 20 30 CEEDHN C[C@@H](OCCc1ccccc1)C(=O)C(C#N)c1ccncn1 ZINC000835304618 638178504 /nfs/dbraw/zinc/17/85/04/638178504.db2.gz WCHPIOXHGCTQHG-HIFRSBDPSA-N 0 3 295.342 2.301 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](N)C1CCCCCC1 ZINC000911918931 638466118 /nfs/dbraw/zinc/46/61/18/638466118.db2.gz JJHJHPFAJUCPKT-CQSZACIVSA-N 0 3 250.386 2.485 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCCc1ccc(F)cc1 ZINC000911952495 638486106 /nfs/dbraw/zinc/48/61/06/638486106.db2.gz RGFLRUPIUQUVLH-CQSZACIVSA-N 0 3 264.344 2.168 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(F)cc1 ZINC000911955570 638495577 /nfs/dbraw/zinc/49/55/77/638495577.db2.gz GLPRAULVFKFOHV-ZDUSSCGKSA-N 0 3 250.317 2.126 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)c1nccs1 ZINC000876771234 650426550 /nfs/dbraw/zinc/42/65/50/650426550.db2.gz VXFAPKTXMVKGHD-DTWKUNHWSA-N 0 3 273.789 2.180 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000836324904 638600499 /nfs/dbraw/zinc/60/04/99/638600499.db2.gz PUDMXIICFAJBCV-HOTGVXAUSA-N 0 3 291.439 2.210 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000836488818 638648298 /nfs/dbraw/zinc/64/82/98/638648298.db2.gz RKPWQRFOOMFFKB-GJZGRUSLSA-N 0 3 279.428 2.067 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1COC ZINC000912405013 638680553 /nfs/dbraw/zinc/68/05/53/638680553.db2.gz YEYDBWKORHSOEE-ZDUSSCGKSA-N 0 3 262.353 2.455 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000836879171 638734056 /nfs/dbraw/zinc/73/40/56/638734056.db2.gz JKVBOMXMEMYLKJ-WWGRRREGSA-N 0 3 298.402 2.049 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(CCC)CCc1ccccn1 ZINC000876846352 650457373 /nfs/dbraw/zinc/45/73/73/650457373.db2.gz BFJRBZXMSKCBTI-AWEZNQCLSA-N 0 3 295.814 2.333 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000876849922 650458151 /nfs/dbraw/zinc/45/81/51/650458151.db2.gz CATZOLQHOLMQKP-CMPLNLGQSA-N 0 3 267.760 2.071 20 30 CEEDHN N#CC1(CC(=O)N2CC[C@@H](N3CCC3)C2)CCCCC1 ZINC000912901393 639095702 /nfs/dbraw/zinc/09/57/02/639095702.db2.gz CPHFMYSRRLNZCM-CQSZACIVSA-N 0 3 275.396 2.157 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C2CCCC2)nn1C ZINC000876887022 650473965 /nfs/dbraw/zinc/47/39/65/650473965.db2.gz HQZOXVFDSCLJTL-LLVKDONJSA-N 0 3 296.802 2.486 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CC12CCCCC2 ZINC000876888648 650475600 /nfs/dbraw/zinc/47/56/00/650475600.db2.gz UFQCEGWNDFRAQE-MNOVXSKESA-N 0 3 256.777 2.295 20 30 CEEDHN CN(C(=O)C#CC1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000837475111 639246129 /nfs/dbraw/zinc/24/61/29/639246129.db2.gz WSTGVXLFENDIER-KRWDZBQOSA-N 0 3 282.387 2.133 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCOc2cccc(F)c2C1 ZINC000876909451 650482762 /nfs/dbraw/zinc/48/27/62/650482762.db2.gz ZDQAMNILLNNZKC-LBPRGKRZSA-N 0 3 298.745 2.017 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@](C)(CC)c1nccs1 ZINC000876771315 639368846 /nfs/dbraw/zinc/36/88/46/639368846.db2.gz PVNNACSLJZZBIU-SKDRFNHKSA-N 0 3 287.816 2.354 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC1CCC(OC(C)C)CC1 ZINC000876940515 650496984 /nfs/dbraw/zinc/49/69/84/650496984.db2.gz UJFNRNNXOUQZRT-BPCQOVAHSA-N 0 3 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CC#CCN1CC[C@@]2(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)CCC[C@H]12 ZINC000992127414 639968249 /nfs/dbraw/zinc/96/82/49/639968249.db2.gz JDPNQAOCSLGWPA-QXUSFIETSA-N 0 3 286.419 2.169 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)Cc3cccc(C)c3)CCC[C@@H]12 ZINC000992154147 639975833 /nfs/dbraw/zinc/97/58/33/639975833.db2.gz PCOIJTSUEROMJW-IEBWSBKVSA-N 0 3 296.414 2.284 20 30 CEEDHN C[C@@H](NCc1cccc(C#N)n1)[C@H](O)c1ccc(F)cc1 ZINC000877035132 650541372 /nfs/dbraw/zinc/54/13/72/650541372.db2.gz UJBVPKNFFZJDTD-BZNIZROVSA-N 0 3 285.322 2.304 20 30 CEEDHN C#CCOC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842294319 640001125 /nfs/dbraw/zinc/00/11/25/640001125.db2.gz PFWAKLCXGKXOEX-UHFFFAOYSA-N 0 3 257.333 2.463 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3ccco3)CCC[C@@H]12 ZINC000992273574 640010941 /nfs/dbraw/zinc/01/09/41/640010941.db2.gz AQMCURWXORVSQD-SZXPJGKVSA-N 0 3 298.386 2.130 20 30 CEEDHN C#CCOCCC(=O)Nc1ccc(C)cc1CN(C)C ZINC000151863529 640095382 /nfs/dbraw/zinc/09/53/82/640095382.db2.gz UCWCZWYGLUZEMM-UHFFFAOYSA-N 0 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292.427 2.148 20 30 CEEDHN C=CCN(CC)CCNC(=O)C[C@@H]1CC=CCC1 ZINC001267247801 803290146 /nfs/dbraw/zinc/29/01/46/803290146.db2.gz WCXXBPBCKQFFGO-CQSZACIVSA-N 0 3 250.386 2.357 20 30 CEEDHN C=CCN(CC)CCNC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC001267254355 803297149 /nfs/dbraw/zinc/29/71/49/803297149.db2.gz MNECMBRDGUQNIM-HZPDHXFCSA-N 0 3 296.455 2.452 20 30 CEEDHN C=CCN(CC)CCNC(=O)[C@@H](OC)C1CCCCC1 ZINC001267258909 803301293 /nfs/dbraw/zinc/30/12/93/803301293.db2.gz JDYPXIKXHCDOTC-HNNXBMFYSA-N 0 3 282.428 2.206 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)C(F)=C1CCCC1 ZINC001267262945 803306056 /nfs/dbraw/zinc/30/60/56/803306056.db2.gz GKYOOFQRDISCCT-CQSZACIVSA-N 0 3 278.371 2.388 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1cccc(F)c1 ZINC001267282191 803327396 /nfs/dbraw/zinc/32/73/96/803327396.db2.gz UFSPBXXHHNRMFL-OAHLLOKOSA-N 0 3 276.355 2.135 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)C=C2CCCCC2)C1 ZINC001267290418 803335901 /nfs/dbraw/zinc/33/59/01/803335901.db2.gz ZGJVJDSRXIDVMH-INIZCTEOSA-N 0 3 274.408 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C[C@H](Cc1ccc(C#N)cc1)NCc1cn(C)cn1 ZINC001172290327 815381843 /nfs/dbraw/zinc/38/18/43/815381843.db2.gz AFDRDBBMHAXSLH-GFCCVEGCSA-N 0 3 254.337 2.013 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCOC1 ZINC001018279196 810600418 /nfs/dbraw/zinc/60/04/18/810600418.db2.gz FKWDEURWNKTPRH-HRCADAONSA-N 0 3 292.423 2.054 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001019201051 810683924 /nfs/dbraw/zinc/68/39/24/810683924.db2.gz VIBMPYSODUBTPS-SFHVURJKSA-N 0 3 296.414 2.320 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cccnc1C ZINC001038640015 810693401 /nfs/dbraw/zinc/69/34/01/810693401.db2.gz HSBTZZAIHMJRCD-CQSZACIVSA-N 0 3 273.380 2.160 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2CC)C1 ZINC001019298018 810698034 /nfs/dbraw/zinc/69/80/34/810698034.db2.gz VSZRBNPBQCWTPY-RYQLBKOJSA-N 0 3 296.414 2.176 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccccc2OC2CCC2)C1 ZINC001019357293 810703518 /nfs/dbraw/zinc/70/35/18/810703518.db2.gz DSPJXLHRJJOWKP-AWEZNQCLSA-N 0 3 298.386 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CC#CCN1CCC[C@@]2(CCN(C(=O)CCC)C2)C1 ZINC001040039793 811078135 /nfs/dbraw/zinc/07/81/35/811078135.db2.gz LOUDLIUXPOVDFG-MRXNPFEDSA-N 0 3 262.397 2.124 20 30 CEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3cscn3)C2)C1 ZINC001040102906 811087656 /nfs/dbraw/zinc/08/76/56/811087656.db2.gz YMLKYUMTLYIHOP-OAHLLOKOSA-N 0 3 291.420 2.257 20 30 CEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3ocnc3C)C2)C1 ZINC001040136205 811090530 /nfs/dbraw/zinc/09/05/30/811090530.db2.gz FQYTUTLMDRYLQI-MRXNPFEDSA-N 0 3 289.379 2.097 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C(C)(C)C=C)C2)C1 ZINC001040329913 811103184 /nfs/dbraw/zinc/10/31/84/811103184.db2.gz XRCGOVAZFAFMDK-KRWDZBQOSA-N 0 3 274.408 2.146 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cnccc2C)C1 ZINC001086331341 811105893 /nfs/dbraw/zinc/10/58/93/811105893.db2.gz NKCIRFDVELPOGJ-JOCQHMNTSA-N 0 3 293.798 2.241 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)c3cc(C)[nH]c3C)C2)C1 ZINC001040417168 811109718 /nfs/dbraw/zinc/10/97/18/811109718.db2.gz CBONLFAEACUSID-SFHVURJKSA-N 0 3 299.418 2.193 20 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ZINC001169229956 811442428 /nfs/dbraw/zinc/44/24/28/811442428.db2.gz MMPRCRXPBLKPPH-ZETCQYMHSA-N 0 3 286.726 2.293 20 30 CEEDHN CCOC(=O)C1(N[C@H](C)CCCC#N)CCN(CC)CC1 ZINC001172489648 815450984 /nfs/dbraw/zinc/45/09/84/815450984.db2.gz XOARKLPNHWDDRF-CQSZACIVSA-N 0 3 295.427 2.076 20 30 CEEDHN Cc1ccc(C#N)nc1N1CCCc2ccc(CN)nc21 ZINC001169583351 811589143 /nfs/dbraw/zinc/58/91/43/811589143.db2.gz DIMMRTUUQOSKCS-UHFFFAOYSA-N 0 3 279.347 2.200 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001045459954 811615268 /nfs/dbraw/zinc/61/52/68/811615268.db2.gz LKKNFRCYLWEESN-CYBMUJFWSA-N 0 3 298.377 2.416 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cncc3[nH]ccc32)CC1 ZINC001045491104 811617720 /nfs/dbraw/zinc/61/77/20/811617720.db2.gz MNOQSSVFDMAZAA-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1C[C@@]1(C)CC ZINC001169752385 811647571 /nfs/dbraw/zinc/64/75/71/811647571.db2.gz AUCWQCRECYOLPM-WCQYABFASA-N 0 3 258.793 2.271 20 30 CEEDHN 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344303289 /nfs/dbraw/zinc/30/32/89/344303289.db2.gz UQLOWILFBUSYIY-UHFFFAOYSA-N 0 3 250.298 2.482 20 30 CEEDHN C[C@H](CCC#N)CN(C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000602476310 347049814 /nfs/dbraw/zinc/04/98/14/347049814.db2.gz MTIMRNHGMGYETO-HZSPNIEDSA-N 0 3 286.441 2.214 20 30 CEEDHN N#Cc1cccc(CN2CCCC3(CCOCC3)C2)n1 ZINC000602476514 347050896 /nfs/dbraw/zinc/05/08/96/347050896.db2.gz WIINLWKPGLBPKS-UHFFFAOYSA-N 0 3 271.364 2.346 20 30 CEEDHN CN(C)Cc1cccc(C(=O)N2CCC(C#N)CC2)c1 ZINC000156028516 344440165 /nfs/dbraw/zinc/44/01/65/344440165.db2.gz APQGIEXRMZEXCQ-UHFFFAOYSA-N 0 3 271.364 2.124 20 30 CEEDHN N#Cc1cccc(S(=O)(=O)CCNCCCC2CC2)c1 ZINC000161545161 344464256 /nfs/dbraw/zinc/46/42/56/344464256.db2.gz CFRLWBZVHFQGEF-UHFFFAOYSA-N 0 3 292.404 2.112 20 30 CEEDHN N#Cc1cccc(S(=O)(=O)CCN[C@H]2CC=CCC2)c1 ZINC000163102954 344469885 /nfs/dbraw/zinc/46/98/85/344469885.db2.gz SMQWXVRKZCZWKV-AWEZNQCLSA-N 0 3 290.388 2.030 20 30 CEEDHN N#Cc1cccc(OCCN2CCC[C@@H](CCO)C2)c1 ZINC000221984785 344540083 /nfs/dbraw/zinc/54/00/83/344540083.db2.gz TZTWOTDYFKPZII-AWEZNQCLSA-N 0 3 274.364 2.031 20 30 CEEDHN CC1(C)CCCN[C@H]1C(=O)Nc1cccc(C#N)c1 ZINC000232955548 344580391 /nfs/dbraw/zinc/58/03/91/344580391.db2.gz IIFGTYAOEVKYHK-ZDUSSCGKSA-N 0 3 257.337 2.275 20 30 CEEDHN CO[C@]1(CN2CC=C(c3ccc(C#N)cc3)CC2)CCOC1 ZINC000602493058 347057892 /nfs/dbraw/zinc/05/78/92/347057892.db2.gz JGSMXYICWZNBOQ-SFHVURJKSA-N 0 3 298.386 2.453 20 30 CEEDHN C[C@@H](NC1CCC(C#N)CC1)c1nnc2ccccn21 ZINC000602510891 347062028 /nfs/dbraw/zinc/06/20/28/347062028.db2.gz GRNPZPNXTDEYEB-PNESKVBLSA-N 0 3 269.352 2.462 20 30 CEEDHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1cccc(C#N)c1 ZINC000317632737 344750401 /nfs/dbraw/zinc/75/04/01/344750401.db2.gz RHXJZUOKOVVZFH-CKEIUWERSA-N 0 3 299.374 2.029 20 30 CEEDHN N#Cc1cccc(CNC2CCN(CC(F)(F)F)CC2)n1 ZINC000602531354 347068670 /nfs/dbraw/zinc/06/86/70/347068670.db2.gz HOORLBMXZSBCAL-UHFFFAOYSA-N 0 3 298.312 2.070 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccc(C(=O)OC)c(F)c1 ZINC000320225439 344751710 /nfs/dbraw/zinc/75/17/10/344751710.db2.gz CZEKXNWKLXJIHI-GFCCVEGCSA-N 0 3 281.327 2.029 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2COc3ccccc3C2)n1 ZINC000602537086 347069667 /nfs/dbraw/zinc/06/96/67/347069667.db2.gz YUNOJAUSOFKWEW-HNNXBMFYSA-N 0 3 265.316 2.047 20 30 CEEDHN Cc1nn(C)c(C)c1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602524344 347066032 /nfs/dbraw/zinc/06/60/32/347066032.db2.gz CBHYUCOTLKSYRL-LBPRGKRZSA-N 0 3 290.411 2.226 20 30 CEEDHN CSC[C@H](CCO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000305801406 344710851 /nfs/dbraw/zinc/71/08/51/344710851.db2.gz GFCXLQBEUQQRGF-GWCFXTLKSA-N 0 3 282.384 2.462 20 30 CEEDHN CN(c1ccc(C#N)c([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000357269267 530034833 /nfs/dbraw/zinc/03/48/33/530034833.db2.gz ZQDYKZPKWBCZOT-AWEZNQCLSA-N 0 3 286.335 2.139 20 30 CEEDHN COC[C@@H](Cc1ccccc1)NCc1cccc(C#N)n1 ZINC000602563954 347079646 /nfs/dbraw/zinc/07/96/46/347079646.db2.gz JLHLDBTVUCFOPJ-QGZVFWFLSA-N 0 3 281.359 2.301 20 30 CEEDHN CC[S@](=O)[C@@H]1CCC[C@@H](NCc2cccc(C#N)n2)C1 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C=CC[C@@H](C)NC(=O)NC[C@H]1NCCc2ccccc21 ZINC000418641299 344894202 /nfs/dbraw/zinc/89/42/02/344894202.db2.gz RYKPLBKCWCQHMD-IUODEOHRSA-N 0 3 273.380 2.137 20 30 CEEDHN N#CCCCCN(Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000585718518 345011543 /nfs/dbraw/zinc/01/15/43/345011543.db2.gz JPEMOVGAIQJBKT-KRWDZBQOSA-N 0 3 288.391 2.334 20 30 CEEDHN Cc1cn[nH]c1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000589317413 345077302 /nfs/dbraw/zinc/07/73/02/345077302.db2.gz HZYGHNILHVUKKL-CQSZACIVSA-N 0 3 252.321 2.367 20 30 CEEDHN COC(=O)C[C@](C)(NC[C@@H](C)CCC#N)c1ccncc1 ZINC000589823071 345100167 /nfs/dbraw/zinc/10/01/67/345100167.db2.gz YPNXQFQRPMAKRY-BBRMVZONSA-N 0 3 289.379 2.389 20 30 CEEDHN CC(C)N1CCCC[C@H]1CN1CC[C@](F)(C#N)C1 ZINC000590723925 345169264 /nfs/dbraw/zinc/16/92/64/345169264.db2.gz NGTIFPGWHWDAEQ-KBPBESRZSA-N 0 3 253.365 2.187 20 30 CEEDHN CO[C@@H]1[C@@H](C)[C@H](NCc2ccnc(C#N)c2)C1(C)C ZINC000590756764 345175125 /nfs/dbraw/zinc/17/51/25/345175125.db2.gz MHMRAAJZOTVHTH-LEWSCRJBSA-N 0 3 259.353 2.102 20 30 CEEDHN CCC#C[C@H](C)N[C@H]1CCCC[C@H]1C(=O)OCC ZINC000590758222 345175562 /nfs/dbraw/zinc/17/55/62/345175562.db2.gz MKHXXWCBEMWNLT-MJBXVCDLSA-N 0 3 251.370 2.500 20 30 CEEDHN CN(C)C[C@H]1CN(C(=O)CC2(C#N)CC2)c2ccccc2O1 ZINC000590303318 345126224 /nfs/dbraw/zinc/12/62/24/345126224.db2.gz UOTJVXKZDDMEDK-ZDUSSCGKSA-N 0 3 299.374 2.036 20 30 CEEDHN CO[C@@H]1C[C@H](NCc2ccnc(C#N)c2)C12CCC2 ZINC000590971471 345207975 /nfs/dbraw/zinc/20/79/75/345207975.db2.gz ZOUAENKFWUMLMX-UONOGXRCSA-N 0 3 257.337 2.000 20 30 CEEDHN N#Cc1ccc(NC(=O)CCN2C[C@@H]3C[C@H]2CS3)cc1 ZINC000590972724 345208988 /nfs/dbraw/zinc/20/89/88/345208988.db2.gz NVCVRBMJQZELMQ-KBPBESRZSA-N 0 3 287.388 2.077 20 30 CEEDHN C[C@@H](CCC#N)N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000591014688 345211116 /nfs/dbraw/zinc/21/11/16/345211116.db2.gz CWGRYQYGJVZKSL-AWEZNQCLSA-N 0 3 285.391 2.198 20 30 CEEDHN CCOc1ccc([C@H](C)NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000591593221 345267551 /nfs/dbraw/zinc/26/75/51/345267551.db2.gz UXYPTPQWIPOAMH-WFASDCNBSA-N 0 3 289.379 2.284 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCSC2(CCCCC2)C1 ZINC000591617636 345270103 /nfs/dbraw/zinc/27/01/03/345270103.db2.gz GLCOAIWPXMOSFV-ZDUSSCGKSA-N 0 3 295.452 2.286 20 30 CEEDHN Cc1ccc(C)c(OC[C@@H](O)CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000591771566 345280025 /nfs/dbraw/zinc/28/00/25/345280025.db2.gz VZGBHXJPWZILNR-XHSDSOJGSA-N 0 3 288.391 2.325 20 30 CEEDHN N#Cc1cnn2cc(CNCCCC(F)(F)F)cnc12 ZINC000592505977 345362505 /nfs/dbraw/zinc/36/25/05/345362505.db2.gz OYJOWUHWKNICDR-UHFFFAOYSA-N 0 3 283.257 2.033 20 30 CEEDHN CC(C)(C)O[C@H]1C[C@@H](NCc2cnc3c(C#N)cnn3c2)C1 ZINC000592524725 345366155 /nfs/dbraw/zinc/36/61/55/345366155.db2.gz ZJWCGKLYXZWMJU-OKILXGFUSA-N 0 3 299.378 2.037 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000592135407 345327636 /nfs/dbraw/zinc/32/76/36/345327636.db2.gz KHSZUCDCEFJYBG-MCIONIFRSA-N 0 3 283.412 2.223 20 30 CEEDHN N#CC[C@]1(O)CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000592153323 345331473 /nfs/dbraw/zinc/33/14/73/345331473.db2.gz LTNHLQLNPAOGMQ-JYJNAYRXSA-N 0 3 256.349 2.141 20 30 CEEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCC(=O)N1 ZINC000592998654 345420496 /nfs/dbraw/zinc/42/04/96/345420496.db2.gz DDORWUJCCQUWJT-HNNXBMFYSA-N 0 3 271.364 2.049 20 30 CEEDHN N#Cc1ccc(CN2CCC(C3(O)CC3)CC2)cc1 ZINC000593049826 345428421 /nfs/dbraw/zinc/42/84/21/345428421.db2.gz LWBWRQOAJSYQPU-UHFFFAOYSA-N 0 3 256.349 2.295 20 30 CEEDHN CC[C@@H](C#N)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000593495308 345498280 /nfs/dbraw/zinc/49/82/80/345498280.db2.gz WQYNMQNRBRYUEG-JKSUJKDBSA-N 0 3 285.391 2.269 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)NCC1(C#N)CCCC1 ZINC000593342762 345468933 /nfs/dbraw/zinc/46/89/33/345468933.db2.gz YCMYBKZMXWUERV-AWEZNQCLSA-N 0 3 292.427 2.244 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000593411314 345479187 /nfs/dbraw/zinc/47/91/87/345479187.db2.gz DUAIEABOVWBZDX-GJZGRUSLSA-N 0 3 292.427 2.196 20 30 CEEDHN COc1cc(CN[C@@H](C)COCC2CC2)ccc1C#N ZINC000593682834 345520056 /nfs/dbraw/zinc/52/00/56/345520056.db2.gz ZYCBXUMSUPLBRQ-LBPRGKRZSA-N 0 3 274.364 2.472 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(-c3nncnn3)cc2)C1 ZINC000593692953 345522167 /nfs/dbraw/zinc/52/21/67/345522167.db2.gz HSMRWWXWJWTNIJ-DZGCQCFKSA-N 0 3 294.362 2.106 20 30 CEEDHN CC[C@@H](N[C@H](CO)CCF)c1ccc(C#N)cc1 ZINC000593718571 345526292 /nfs/dbraw/zinc/52/62/92/345526292.db2.gz KAUYGGSYPHCYLI-UONOGXRCSA-N 0 3 250.317 2.319 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](CO)CCF ZINC000593718666 345526789 /nfs/dbraw/zinc/52/67/89/345526789.db2.gz OEBFYPXXDASGEU-HIFRSBDPSA-N 0 3 262.328 2.246 20 30 CEEDHN CCC(C#N)C(=O)N([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000593743305 345530947 /nfs/dbraw/zinc/53/09/47/345530947.db2.gz GNIDGHAAIIONJP-QWRGUYRKSA-N 0 3 280.368 2.257 20 30 CEEDHN CCC(C#N)C(=O)N1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000593746820 345532124 /nfs/dbraw/zinc/53/21/24/345532124.db2.gz GFBFSCNQDXQRAF-JHJVBQTASA-N 0 3 294.395 2.362 20 30 CEEDHN CC(C#N)C(=O)N1CCc2ccc(F)cc2[C@H](C)C1 ZINC000593887201 345548124 /nfs/dbraw/zinc/54/81/24/345548124.db2.gz PQPNIAHOVIBPTI-GHMZBOCLSA-N 0 3 260.312 2.474 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)Cc1cccc(C#N)c1 ZINC000593884069 345548234 /nfs/dbraw/zinc/54/82/34/345548234.db2.gz QOVQTIBYLUQCDJ-UHFFFAOYSA-N 0 3 285.391 2.045 20 30 CEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)CCCCC#N ZINC000593997957 345563299 /nfs/dbraw/zinc/56/32/99/345563299.db2.gz GREMNNSSNIVNKM-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN CC[C@H](NCc1ccc(C#N)cn1)[C@H]1CCCCO1 ZINC000594039665 345571328 /nfs/dbraw/zinc/57/13/28/345571328.db2.gz BKIHLPXDNYJKJY-LSDHHAIUSA-N 0 3 259.353 2.391 20 30 CEEDHN COc1cc(CN2CCC([C@@H](C)CO)CC2)ccc1C#N ZINC000593675753 345519278 /nfs/dbraw/zinc/51/92/78/345519278.db2.gz CBKWRHAALGDXKK-ZDUSSCGKSA-N 0 3 288.391 2.407 20 30 CEEDHN N#Cc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000594203811 345598151 /nfs/dbraw/zinc/59/81/51/345598151.db2.gz UMEIIUGGYZPDQV-HZPDHXFCSA-N 0 3 283.375 2.305 20 30 CEEDHN C[C@@H](Cn1cncn1)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594495961 345638033 /nfs/dbraw/zinc/63/80/33/345638033.db2.gz GBSZKWMNPMOXEQ-ZDUSSCGKSA-N 0 3 283.379 2.258 20 30 CEEDHN Cc1ncncc1[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000594497812 345638421 /nfs/dbraw/zinc/63/84/21/345638421.db2.gz HCRIBDCFHYJTPM-LBPRGKRZSA-N 0 3 282.347 2.386 20 30 CEEDHN Cc1ccc(CNC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594425031 345625894 /nfs/dbraw/zinc/62/58/94/345625894.db2.gz JDSBFWTWIYAGFI-CQSZACIVSA-N 0 3 259.353 2.023 20 30 CEEDHN C[C@@H]1CCC[C@H](NC(=O)[C@H](N)CCCCC#N)[C@@H]1C ZINC000594428145 345627131 /nfs/dbraw/zinc/62/71/31/345627131.db2.gz ZSDLEUZUGIIAIR-SYQHCUMBSA-N 0 3 265.401 2.339 20 30 CEEDHN CN(Cc1ccc(F)c(F)c1)C(=O)[C@@H](N)CCCCC#N ZINC000594429034 345627685 /nfs/dbraw/zinc/62/76/85/345627685.db2.gz PUYKSOMGINOLGK-AWEZNQCLSA-N 0 3 295.333 2.334 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@H](N)CCCCC#N ZINC000594435481 345629886 /nfs/dbraw/zinc/62/98/86/345629886.db2.gz FUAMYHRKPBJURV-MCIONIFRSA-N 0 3 265.401 2.435 20 30 CEEDHN COc1cc(NC(=O)[C@H](N)CCCCC#N)ccc1F ZINC000594436164 345630146 /nfs/dbraw/zinc/63/01/46/345630146.db2.gz MKMXVBPMSRVKBR-GFCCVEGCSA-N 0 3 279.315 2.184 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1-n1ccnc1 ZINC000594440239 345631420 /nfs/dbraw/zinc/63/14/20/345631420.db2.gz ANSOIMJDNLPWTB-CYBMUJFWSA-N 0 3 297.362 2.222 20 30 CEEDHN Cc1nc2ccc(NC(=O)[C@@H](N)CCCCC#N)cc2o1 ZINC000594441057 345631548 /nfs/dbraw/zinc/63/15/48/345631548.db2.gz LVXHXEWKCJKVTG-LBPRGKRZSA-N 0 3 286.335 2.486 20 30 CEEDHN C[C@H](c1ccncc1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594444281 345631944 /nfs/dbraw/zinc/63/19/44/345631944.db2.gz NUQGETREMDBBNQ-OCCSQVGLSA-N 0 3 274.368 2.012 20 30 CEEDHN CC(C)(CNC(=O)[C@H](N)CCCCC#N)[C@H]1CCCCO1 ZINC000594445727 345632741 /nfs/dbraw/zinc/63/27/41/345632741.db2.gz KQSRXTMZBXVAFR-ZIAGYGMSSA-N 0 3 295.427 2.109 20 30 CEEDHN CS[C@@H]1CCC[C@H](NC(=O)[C@H](N)CCCCC#N)C1 ZINC000594447840 345633214 /nfs/dbraw/zinc/63/32/14/345633214.db2.gz VLPBFIJIDHKTBB-YNEHKIRRSA-N 0 3 283.441 2.188 20 30 CEEDHN N#Cc1ccc(C2(NC(=O)[C@@H](N)CC(F)F)CCC2)cc1 ZINC000594450580 345634563 /nfs/dbraw/zinc/63/45/63/345634563.db2.gz RQOKKDXUKNDXIX-LBPRGKRZSA-N 0 3 293.317 2.036 20 30 CEEDHN C=CCC[C@H](CO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594506039 345639659 /nfs/dbraw/zinc/63/96/59/345639659.db2.gz KFAQNFCJICOACC-RISCZKNCSA-N 0 3 276.336 2.499 20 30 CEEDHN CCN1CCN(c2cccc(-n3cccn3)c2C#N)C[C@@H]1C ZINC000594568583 345649147 /nfs/dbraw/zinc/64/91/47/345649147.db2.gz QDBNNMUUPLANHF-AWEZNQCLSA-N 0 3 295.390 2.274 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2cccnc2N2CCCC2)C1 ZINC000595072285 345739337 /nfs/dbraw/zinc/73/93/37/345739337.db2.gz RHXUTBNRXCSUFU-DZGCQCFKSA-N 0 3 270.380 2.464 20 30 CEEDHN CC(C)(NC(=O)[C@H](N)CCCCC#N)c1cccc(C#N)c1 ZINC000595255664 345749656 /nfs/dbraw/zinc/74/96/56/345749656.db2.gz ICCOASYYLNWNGX-OAHLLOKOSA-N 0 3 298.390 2.321 20 30 CEEDHN CCC(=O)N1CCCN(CCc2ccc(C#N)cc2)CC1 ZINC000595293471 345755847 /nfs/dbraw/zinc/75/58/47/345755847.db2.gz ONJDEOQMHNAGGO-UHFFFAOYSA-N 0 3 285.391 2.045 20 30 CEEDHN CC(C)=CCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000595294643 345756243 /nfs/dbraw/zinc/75/62/43/345756243.db2.gz AIGJENNHGKPVQI-UHFFFAOYSA-N 0 3 270.380 2.432 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C[C@]1(O)CCCOC1 ZINC000595297444 345756864 /nfs/dbraw/zinc/75/68/64/345756864.db2.gz ULWJNQIFRXYOFU-QGZVFWFLSA-N 0 3 286.375 2.088 20 30 CEEDHN N#Cc1ccc(CCNCc2cnn3c2CCC3)cc1 ZINC000594954101 345715174 /nfs/dbraw/zinc/71/51/74/345715174.db2.gz AOACHEHUBMYSDN-UHFFFAOYSA-N 0 3 266.348 2.033 20 30 CEEDHN CN(C)c1ccncc1CNCCc1ccc(C#N)cc1 ZINC000594954126 345715335 /nfs/dbraw/zinc/71/53/35/345715335.db2.gz BWUACUKFIAJLLE-UHFFFAOYSA-N 0 3 280.375 2.352 20 30 CEEDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC1(c2cccc(C#N)c2)CC1 ZINC000594960725 345717422 /nfs/dbraw/zinc/71/74/22/345717422.db2.gz WHXGORYYWIRTTD-NILFDRSVSA-N 0 3 284.359 2.335 20 30 CEEDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2ccc(C#N)s2)C1 ZINC000594962042 345717908 /nfs/dbraw/zinc/71/79/08/345717908.db2.gz DASFPJOPXLWJTF-YWPYICTPSA-N 0 3 294.420 2.275 20 30 CEEDHN C=CCOCCCNCc1ccc([N+](=O)[O-])cc1 ZINC000594975639 345720774 /nfs/dbraw/zinc/72/07/74/345720774.db2.gz ZMDOVMZQUSXTIF-UHFFFAOYSA-N 0 3 250.298 2.277 20 30 CEEDHN N#Cc1ccc(OCCN[C@@H]2COC3(CCC3)C2)cc1 ZINC000595024654 345730363 /nfs/dbraw/zinc/73/03/63/345730363.db2.gz BPFAJWXTRKFSND-AWEZNQCLSA-N 0 3 272.348 2.238 20 30 CEEDHN CC(=O)NCc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000595060263 345737305 /nfs/dbraw/zinc/73/73/05/345737305.db2.gz LVVLTXWEFVTZCL-DLBZAZTESA-N 0 3 285.391 2.495 20 30 CEEDHN N#CC[C@@]1(O)CCN(CC[C@H]2CCc3ccccc32)C1 ZINC000595556299 345812241 /nfs/dbraw/zinc/81/22/41/345812241.db2.gz BSKPDLVUBZFENV-NVXWUHKLSA-N 0 3 270.376 2.457 20 30 CEEDHN CS[C@@H]1CN([C@H](C#N)c2ccccc2)C[C@H]1N(C)C ZINC000595403247 345774333 /nfs/dbraw/zinc/77/43/33/345774333.db2.gz JGAYHNAMKLPHIA-RBSFLKMASA-N 0 3 275.421 2.229 20 30 CEEDHN CC(C)(C#N)CCCCN1CCC(c2nc(N)n[nH]2)CC1 ZINC000595487782 345793752 /nfs/dbraw/zinc/79/37/52/345793752.db2.gz BNUJJSQFKPMAAQ-UHFFFAOYSA-N 0 3 290.415 2.117 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)NCCCCC#N ZINC000595487254 345793803 /nfs/dbraw/zinc/79/38/03/345793803.db2.gz GQYSTRXVQNXKDN-CQSZACIVSA-N 0 3 280.416 2.100 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@H](C)C(O)[C@@H](C)C1 ZINC000595743499 345863867 /nfs/dbraw/zinc/86/38/67/345863867.db2.gz MZSVAHXDQSLAMV-RYUDHWBXSA-N 0 3 274.364 2.016 20 30 CEEDHN Cc1cc(C#N)ccc1CN1C[C@H](C)C(O)[C@@H](C)C1 ZINC000595743769 345864269 /nfs/dbraw/zinc/86/42/69/345864269.db2.gz QRDUMBKMFHBADK-STQMWFEESA-N 0 3 258.365 2.315 20 30 CEEDHN C[C@H](C#N)N(CCN(C)Cc1ccccc1)C1CC1 ZINC000595710007 345856822 /nfs/dbraw/zinc/85/68/22/345856822.db2.gz LPFWPHNUHIWSSY-CQSZACIVSA-N 0 3 257.381 2.495 20 30 CEEDHN C[C@H]1c2ccccc2C[C@H]1NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000595709196 345856871 /nfs/dbraw/zinc/85/68/71/345856871.db2.gz XAKGRIIFNPDPDH-XZOAIXRZSA-N 0 3 297.402 2.113 20 30 CEEDHN COc1ccc(CN2C[C@H]3COC[C@]3(C)C2)cc1C#N ZINC000595756190 345867761 /nfs/dbraw/zinc/86/77/61/345867761.db2.gz FHGRYCYDYPUFMO-HOCLYGCPSA-N 0 3 272.348 2.035 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@H]2COC[C@]2(C)C1 ZINC000595761020 345869516 /nfs/dbraw/zinc/86/95/16/345869516.db2.gz WCOXZQQWNQPQDP-HOCLYGCPSA-N 0 3 272.348 2.035 20 30 CEEDHN C[C@@H]1CCN(CCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000595781888 345875356 /nfs/dbraw/zinc/87/53/56/345875356.db2.gz UVWZUEUKFLCYAH-KGLIPLIRSA-N 0 3 274.364 2.436 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@@H](C)[C@](C)(CO)C1 ZINC000595875539 345904118 /nfs/dbraw/zinc/90/41/18/345904118.db2.gz QNEUQKNZXUPHPO-WBMJQRKESA-N 0 3 274.364 2.017 20 30 CEEDHN N#Cc1cc(CN2C[C@]34COC[C@@]3(C2)CCCC4)ccn1 ZINC000595908874 345911653 /nfs/dbraw/zinc/91/16/53/345911653.db2.gz JBVXUYUXTKKJEX-CALCHBBNSA-N 0 3 283.375 2.346 20 30 CEEDHN Cc1ccc(C#N)nc1N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000596155357 345954400 /nfs/dbraw/zinc/95/44/00/345954400.db2.gz IPEVUERFSIQKDR-YPMHNXCESA-N 0 3 256.353 2.299 20 30 CEEDHN CCCCN1CCCC[C@H]1CNc1c(C#N)cnn1C ZINC000596097083 345939409 /nfs/dbraw/zinc/93/94/09/345939409.db2.gz AXSDICQNLHECKA-AWEZNQCLSA-N 0 3 275.400 2.358 20 30 CEEDHN CCN(Cc1ccc(CN(C)C)cc1)c1cc(C#N)cnn1 ZINC000596106689 345941502 /nfs/dbraw/zinc/94/15/02/345941502.db2.gz VNXRLRZRGRCOCJ-UHFFFAOYSA-N 0 3 295.390 2.436 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)c2nc3ncccc3cc2C#N)CCN1C ZINC000596137935 345948799 /nfs/dbraw/zinc/94/87/99/345948799.db2.gz YUADMMJRAKDYIJ-DOMZBBRYSA-N 0 3 295.390 2.420 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000596306959 345995061 /nfs/dbraw/zinc/99/50/61/345995061.db2.gz KBCFKQCDYSOYOQ-JTQLQIEISA-N 0 3 278.787 2.313 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNc1nc2ccccn2c1C#N ZINC000596306482 345995494 /nfs/dbraw/zinc/99/54/94/345995494.db2.gz DSSPXANDUUKOMV-LBPRGKRZSA-N 0 3 283.379 2.491 20 30 CEEDHN CC[C@@](C)(NC(=O)[C@@H](N)CCCCC#N)C1CC1 ZINC000602585363 347089049 /nfs/dbraw/zinc/08/90/49/347089049.db2.gz GFYLRJMQVDZZDP-GXTWGEPZSA-N 0 3 251.374 2.093 20 30 CEEDHN CN(C(=O)CC1(C#N)CCCCC1)C1CCN(C)CC1 ZINC000596624718 346067232 /nfs/dbraw/zinc/06/72/32/346067232.db2.gz HQQAKONKUGKSGZ-UHFFFAOYSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCCSCCNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000596716956 346079654 /nfs/dbraw/zinc/07/96/54/346079654.db2.gz KJGCQEMCLPDFKL-KBPBESRZSA-N 0 3 299.484 2.277 20 30 CEEDHN CC[C@H](CNC(=O)[C@H](C)CC#N)N1CCc2ccccc2C1 ZINC000596779246 346089350 /nfs/dbraw/zinc/08/93/50/346089350.db2.gz VEDZDDODCKPTNU-RHSMWYFYSA-N 0 3 299.418 2.489 20 30 CEEDHN C[C@@H](CC#N)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000596969819 346110307 /nfs/dbraw/zinc/11/03/07/346110307.db2.gz IHDACQZXCQTZTB-AWEZNQCLSA-N 0 3 277.412 2.261 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(C(=O)OC)c(Cl)c1 ZINC000597082140 346125484 /nfs/dbraw/zinc/12/54/84/346125484.db2.gz BNNKNCBSLAKESW-NSHDSACASA-N 0 3 283.755 2.153 20 30 CEEDHN C[C@@H](CC#N)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000597118092 346130783 /nfs/dbraw/zinc/13/07/83/346130783.db2.gz ZMCWXNNIDPYISP-UONOGXRCSA-N 0 3 263.385 2.013 20 30 CEEDHN COC[C@@H](CC1CCOCC1)NCC1(C#N)CCC1 ZINC000597153696 346136864 /nfs/dbraw/zinc/13/68/64/346136864.db2.gz MAJXFVLDGFEELX-CQSZACIVSA-N 0 3 266.385 2.102 20 30 CEEDHN COc1cc(CN2C[C@@H](C)C(O)[C@H](C)C2)ccc1C#N ZINC000597203953 346148166 /nfs/dbraw/zinc/14/81/66/346148166.db2.gz AWDZNARQVGAMMA-VXGBXAGGSA-N 0 3 274.364 2.016 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)CC#N)C(C)C ZINC000597223617 346153931 /nfs/dbraw/zinc/15/39/31/346153931.db2.gz RBEGNSCVTIPQFS-GJZGRUSLSA-N 0 3 277.412 2.351 20 30 CEEDHN COc1cc(CN2CC[C@H]3COC[C@H]3C2)ccc1C#N ZINC000597231900 346156749 /nfs/dbraw/zinc/15/67/49/346156749.db2.gz REGSZZRKHGYSLG-LSDHHAIUSA-N 0 3 272.348 2.035 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000597521659 346198433 /nfs/dbraw/zinc/19/84/33/346198433.db2.gz VAMGYRRUJSFRRN-YCPHGPKFSA-N 0 3 285.391 2.173 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1cccs1)C1(CO)CCC1 ZINC000597852712 346238308 /nfs/dbraw/zinc/23/83/08/346238308.db2.gz OBQOWGPHMNDDAI-PWSUYJOCSA-N 0 3 278.377 2.228 20 30 CEEDHN Cc1scc(CNC(=O)[C@H](N)CCCCC#N)c1C ZINC000602586447 347089429 /nfs/dbraw/zinc/08/94/29/347089429.db2.gz RGTYSURQYMNXOO-CYBMUJFWSA-N 0 3 279.409 2.392 20 30 CEEDHN CCN(C(=O)c1cccc(CC#N)c1)[C@H]1CCN(CC)C1 ZINC000598041246 346274411 /nfs/dbraw/zinc/27/44/11/346274411.db2.gz KILNJVRLUQGKAH-INIZCTEOSA-N 0 3 285.391 2.309 20 30 CEEDHN C=CCOCCCNC(=O)C(C#N)CCc1ccccc1 ZINC000598207800 346305494 /nfs/dbraw/zinc/30/54/94/346305494.db2.gz ZRPATTSXODIFPX-MRXNPFEDSA-N 0 3 286.375 2.468 20 30 CEEDHN CCCN1CC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000598341879 346331711 /nfs/dbraw/zinc/33/17/11/346331711.db2.gz HPZLBBVNSDWLTH-ZDUSSCGKSA-N 0 3 291.782 2.426 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC000598341945 346332228 /nfs/dbraw/zinc/33/22/28/346332228.db2.gz IYFHSDJLHOTOFM-LLVKDONJSA-N 0 3 293.317 2.051 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000598261708 346316137 /nfs/dbraw/zinc/31/61/37/346316137.db2.gz UFFABSDHZCDWEI-DZGCQCFKSA-N 0 3 265.401 2.163 20 30 CEEDHN N#Cc1ccc(O[C@@H]2CCN(CC3CCC(=O)CC3)C2)nc1 ZINC000295145601 199370944 /nfs/dbraw/zinc/37/09/44/199370944.db2.gz ASIUHHYHXDLMQZ-MRXNPFEDSA-N 0 3 299.374 2.166 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC2(COC2)C1 ZINC000598403638 346345954 /nfs/dbraw/zinc/34/59/54/346345954.db2.gz HMKHIUJGJXQYTI-HNNXBMFYSA-N 0 3 284.359 2.008 20 30 CEEDHN CC(C)[C@@H](C(=O)N1CC[C@@](C)(C#N)C1)N1CCCCC1 ZINC000598416683 346352176 /nfs/dbraw/zinc/35/21/76/346352176.db2.gz VHGGSOVZCKNOMC-HOCLYGCPSA-N 0 3 277.412 2.259 20 30 CEEDHN N#C[C@@H]1CCC[C@H]1NC1CCN(c2ccccn2)CC1 ZINC000061892056 362697688 /nfs/dbraw/zinc/69/76/88/362697688.db2.gz YRRDXCPWNOVEEI-DZGCQCFKSA-N 0 3 270.380 2.332 20 30 CEEDHN CC[C@@H]1CN(C(=O)c2cc(C#N)ccc2Cl)C[C@H](C)N1 ZINC000598532394 346372059 /nfs/dbraw/zinc/37/20/59/346372059.db2.gz WOAKHJRCPAOIKO-CMPLNLGQSA-N 0 3 291.782 2.424 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CCN1 ZINC000598577012 346376958 /nfs/dbraw/zinc/37/69/58/346376958.db2.gz ZMGLFXPGPRXNNZ-WMLDXEAASA-N 0 3 299.418 2.193 20 30 CEEDHN CN(Cc1ccc2c(c1)OCO2)C[C@H](O)CC(C)(C)C#N ZINC000598585769 346377359 /nfs/dbraw/zinc/37/73/59/346377359.db2.gz ABRLWCXVFBXYKO-CYBMUJFWSA-N 0 3 290.363 2.148 20 30 CEEDHN CC[C@@H]1CN2CCCC[C@H]2CN1C[C@@H](O)CC(C)(C)C#N ZINC000598593681 346380432 /nfs/dbraw/zinc/38/04/32/346380432.db2.gz VOKVNAONROOTTE-PMPSAXMXSA-N 0 3 293.455 2.236 20 30 CEEDHN Cn1cc([C@H]2CCCCN2C[C@H](O)CC(C)(C)C#N)cn1 ZINC000598613471 346384171 /nfs/dbraw/zinc/38/41/71/346384171.db2.gz ICJCUXGTNPSEHA-HUUCEWRRSA-N 0 3 290.411 2.248 20 30 CEEDHN C[C@@H]1COC2(CCCC2)CN1C[C@@H](O)CC(C)(C)C#N ZINC000598626796 346387950 /nfs/dbraw/zinc/38/79/50/346387950.db2.gz ACTRSYQIBYKUPZ-KGLIPLIRSA-N 0 3 280.412 2.321 20 30 CEEDHN COc1cc(CN2CC[C@@H](C)[C@@H](CO)C2)ccc1C#N ZINC000598678357 346399741 /nfs/dbraw/zinc/39/97/41/346399741.db2.gz WUBKRVQKNRLWDJ-IUODEOHRSA-N 0 3 274.364 2.017 20 30 CEEDHN CC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccncc1 ZINC000598720034 346407524 /nfs/dbraw/zinc/40/75/24/346407524.db2.gz LKJXBOFGLBDGBT-UONOGXRCSA-N 0 3 261.369 2.423 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CNCc1cc(F)ccc1F ZINC000598721338 346407933 /nfs/dbraw/zinc/40/79/33/346407933.db2.gz VFXUFGAMPCVNPU-LBPRGKRZSA-N 0 3 268.307 2.355 20 30 CEEDHN COc1cc(C)cc(NC(=O)[C@H](N)CCCC#N)c1C ZINC000602600098 347094643 /nfs/dbraw/zinc/09/46/43/347094643.db2.gz FMHSUKIAAJMBBC-GFCCVEGCSA-N 0 3 275.352 2.272 20 30 CEEDHN COc1ccccc1[C@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC000599344554 346502646 /nfs/dbraw/zinc/50/26/46/346502646.db2.gz FZZPANJGPJKBFG-QWHCGFSZSA-N 0 3 274.364 2.401 20 30 CEEDHN Cn1cc([C@H](NC[C@@H](O)CC2(C#N)CC2)C(C)(C)C)cn1 ZINC000599355348 346505629 /nfs/dbraw/zinc/50/56/29/346505629.db2.gz ZCPXXBMBYPJIPT-KBPBESRZSA-N 0 3 290.411 2.152 20 30 CEEDHN COCC[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(C)o1 ZINC000599359128 346506507 /nfs/dbraw/zinc/50/65/07/346506507.db2.gz OVZYNENSESLMQR-KGLIPLIRSA-N 0 3 292.379 2.310 20 30 CEEDHN Cc1ccc(CN2CCC[C@H](CO)[C@@H]2C)cc1C#N ZINC000599437254 346520216 /nfs/dbraw/zinc/52/02/16/346520216.db2.gz QMUCUROCRVHTDG-DZGCQCFKSA-N 0 3 258.365 2.460 20 30 CEEDHN CCO[C@H](CN1CCN(c2ccccc2C#N)CC1)C1CC1 ZINC000599282231 346490577 /nfs/dbraw/zinc/49/05/77/346490577.db2.gz PSSJHGUAGYDOJP-GOSISDBHSA-N 0 3 299.418 2.495 20 30 CEEDHN COCCOC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599294901 346492499 /nfs/dbraw/zinc/49/24/99/346492499.db2.gz STGLHWYINQTASR-UHFFFAOYSA-N 0 3 288.391 2.494 20 30 CEEDHN Cc1sccc1NC(=O)[C@@H](N)CCCCC#N ZINC000602603119 347096713 /nfs/dbraw/zinc/09/67/13/347096713.db2.gz QHWGDEZOHSPKIG-JTQLQIEISA-N 0 3 251.355 2.406 20 30 CEEDHN Cc1ccc(CN2CC[C@H](CN3CCOCC3)C2)cc1C#N ZINC000599300893 346494825 /nfs/dbraw/zinc/49/48/25/346494825.db2.gz YYANRKQRZUWKSE-QGZVFWFLSA-N 0 3 299.418 2.021 20 30 CEEDHN COC(=O)[C@H]1C[C@@H](N(C)Cc2ccc(C)c(C#N)c2)C1 ZINC000599481304 346527370 /nfs/dbraw/zinc/52/73/70/346527370.db2.gz JRFDCSNQEZFBGS-OTVXOJSOSA-N 0 3 272.348 2.250 20 30 CEEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000599625312 346547666 /nfs/dbraw/zinc/54/76/66/346547666.db2.gz IQUFSZKNGZPQKH-ZVXAKGHKSA-N 0 3 289.335 2.368 20 30 CEEDHN N#Cc1ccc(CN2C[C@@H]3CCC[C@]3(CO)C2)cc1F ZINC000599638023 346550586 /nfs/dbraw/zinc/55/05/86/346550586.db2.gz KWHHAKAEDKGPAO-GOEBONIOSA-N 0 3 274.339 2.292 20 30 CEEDHN CC(=O)NC[C@H]1CCCCN1CCc1ccc(C#N)cc1 ZINC000599691522 346568390 /nfs/dbraw/zinc/56/83/90/346568390.db2.gz SDUNBOSNGNNNBR-QGZVFWFLSA-N 0 3 285.391 2.091 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000600522417 346648062 /nfs/dbraw/zinc/64/80/62/346648062.db2.gz PEMYICZLPRNRHO-YESZJQIVSA-N 0 3 298.386 2.443 20 30 CEEDHN N#Cc1ccccc1N1CCN(CCC2CC2)CC1 ZINC000336806391 365841372 /nfs/dbraw/zinc/84/13/72/365841372.db2.gz XIPKMLGQKOHPQG-UHFFFAOYSA-N 0 3 255.365 2.480 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000600613822 346662201 /nfs/dbraw/zinc/66/22/01/346662201.db2.gz FHMWOPKLPRUSAL-INNHCVQGSA-N 0 3 250.248 2.097 20 30 CEEDHN N#Cc1ccc([C@@H](NC[C@H]2CCCC23CC3)C(N)=O)cc1 ZINC000600614611 346662751 /nfs/dbraw/zinc/66/27/51/346662751.db2.gz KZTDAKMBXYNQDR-HUUCEWRRSA-N 0 3 283.375 2.255 20 30 CEEDHN C[C@@H](CC#N)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600230632 346628095 /nfs/dbraw/zinc/62/80/95/346628095.db2.gz XJRVJTNHYNOTIX-GXTWGEPZSA-N 0 3 263.385 2.059 20 30 CEEDHN N#CC1(C[C@H](O)CNCc2ccc(Cl)o2)CCOCC1 ZINC000600720091 346677542 /nfs/dbraw/zinc/67/75/42/346677542.db2.gz XFPQIRZDFZKZRG-NSHDSACASA-N 0 3 298.770 2.094 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@H]2CCCc3occc32)CC1 ZINC000600720353 346677844 /nfs/dbraw/zinc/67/78/44/346677844.db2.gz YOKRLJRQGLVHKD-YPMHNXCESA-N 0 3 260.337 2.301 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCOc3ccc(F)cc32)CC1 ZINC000600722527 346678367 /nfs/dbraw/zinc/67/83/67/346678367.db2.gz QWAFJBBAJLECGV-TZMCWYRMSA-N 0 3 290.338 2.294 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@H]2CCOc3c(F)cccc32)CC1 ZINC000600734944 346681532 /nfs/dbraw/zinc/68/15/32/346681532.db2.gz RTXOFLFGJBCHGO-FZMZJTMJSA-N 0 3 290.338 2.294 20 30 CEEDHN CC(C)OCC[C@H](O)CNCC1(C#N)CCCCC1 ZINC000600753981 346684042 /nfs/dbraw/zinc/68/40/42/346684042.db2.gz LECJDVWPJDUDAZ-AWEZNQCLSA-N 0 3 268.401 2.226 20 30 CEEDHN N#CC1(CNC[C@@H](O)CC(F)(F)F)CCCCC1 ZINC000600757281 346684931 /nfs/dbraw/zinc/68/49/31/346684931.db2.gz TXGUCRNAQCANPU-JTQLQIEISA-N 0 3 264.291 2.363 20 30 CEEDHN N#Cc1ccc(CN2CCc3ccccc3[C@H]2CN)o1 ZINC000600769879 346687333 /nfs/dbraw/zinc/68/73/33/346687333.db2.gz UIBHINAVXLLTMU-MRXNPFEDSA-N 0 3 267.332 2.209 20 30 CEEDHN N#Cc1cc(-c2ccc(N3CCNCC3)nc2)ccc1F ZINC000600782288 346689361 /nfs/dbraw/zinc/68/93/61/346689361.db2.gz NOYOESBECSGXNU-UHFFFAOYSA-N 0 3 282.322 2.169 20 30 CEEDHN C=CCOc1ccccc1CNC[C@@H]1CNc2ccnn2C1 ZINC000600809916 346694335 /nfs/dbraw/zinc/69/43/35/346694335.db2.gz WTVUESHSPVJHHS-CQSZACIVSA-N 0 3 298.390 2.279 20 30 CEEDHN Cn1nc2c(c1CNCC1(CC#N)CC1)CCCC2 ZINC000601120660 346759212 /nfs/dbraw/zinc/75/92/12/346759212.db2.gz JRSUONADQDZXPW-UHFFFAOYSA-N 0 3 258.369 2.082 20 30 CEEDHN N#CC1(C(=O)N2CC[C@H](N3CCCCC3)C2)CC2(CC2)C1 ZINC000601124915 346760966 /nfs/dbraw/zinc/76/09/66/346760966.db2.gz JSNOKLOFVTUNGH-AWEZNQCLSA-N 0 3 287.407 2.157 20 30 CEEDHN CN1CC[C@@H]2CN(c3ncc(C#N)c4ccsc43)C[C@@H]21 ZINC000601172186 346777083 /nfs/dbraw/zinc/77/70/83/346777083.db2.gz WNZPBCPINPRWAM-MFKMUULPSA-N 0 3 284.388 2.308 20 30 CEEDHN Cc1ccc(CN2CC[C@@H](Nc3c(C#N)cnn3C)C2)cc1 ZINC000601250523 346801932 /nfs/dbraw/zinc/80/19/32/346801932.db2.gz NQWNCHUIYNAFDG-MRXNPFEDSA-N 0 3 295.390 2.287 20 30 CEEDHN Cc1ccc(CN2CC[C@H](Nc3ccncc3C#N)C2)cc1 ZINC000601251151 346802551 /nfs/dbraw/zinc/80/25/51/346802551.db2.gz WZXJSWJGFZYMOF-KRWDZBQOSA-N 0 3 292.386 2.370 20 30 CEEDHN COCC[C@H](COC)N[C@@H](C)c1cccc(C#N)c1 ZINC000336818038 365863152 /nfs/dbraw/zinc/86/31/52/365863152.db2.gz SXZNQMCLMRKUGP-SWLSCSKDSA-N 0 3 262.353 2.260 20 30 CEEDHN CC1(C)C[C@H](CNCc2cccc(C#N)n2)CCO1 ZINC000602689728 347148906 /nfs/dbraw/zinc/14/89/06/347148906.db2.gz YIWDJPQWMSBTLV-GFCCVEGCSA-N 0 3 259.353 2.248 20 30 CEEDHN COc1cc(CNCCc2ccc(C#N)cc2)sn1 ZINC000602704458 347159417 /nfs/dbraw/zinc/15/94/17/347159417.db2.gz FHCOOZIGEZXVPF-UHFFFAOYSA-N 0 3 273.361 2.356 20 30 CEEDHN C=CCOCCCNCc1cc(C(=O)OC)cs1 ZINC000602711876 347164722 /nfs/dbraw/zinc/16/47/22/347164722.db2.gz ROGWSLBRSUKOJX-UHFFFAOYSA-N 0 3 269.366 2.217 20 30 CEEDHN N#Cc1cccc(CNC[C@@H]2CCN2Cc2ccccc2)n1 ZINC000602717598 347167199 /nfs/dbraw/zinc/16/71/99/347167199.db2.gz OYDGZEQBASVGOS-SFHVURJKSA-N 0 3 292.386 2.317 20 30 CEEDHN CCn1nccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602716396 347167412 /nfs/dbraw/zinc/16/74/12/347167412.db2.gz UTKYFBLAPNNUSI-CYBMUJFWSA-N 0 3 276.384 2.092 20 30 CEEDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1cccc(C#N)c1 ZINC000602806855 347207527 /nfs/dbraw/zinc/20/75/27/347207527.db2.gz QNTNWAQGLLAGGU-LLVKDONJSA-N 0 3 299.334 2.322 20 30 CEEDHN C[C@H](CCC#N)CN1CCN(Cc2ccc(O)cc2)CC1 ZINC000602749212 347184437 /nfs/dbraw/zinc/18/44/37/347184437.db2.gz KNBMEOYQHQWNST-OAHLLOKOSA-N 0 3 287.407 2.450 20 30 CEEDHN C[C@@H]1CCN(CCOc2cccc(C#N)c2)[C@H](CO)C1 ZINC000602932296 347251546 /nfs/dbraw/zinc/25/15/46/347251546.db2.gz UOWNJXQTSVRMQL-HIFRSBDPSA-N 0 3 274.364 2.030 20 30 CEEDHN CCc1nc(C2CCN(CC3(CC#N)CC3)CC2)n[nH]1 ZINC000602826117 347214439 /nfs/dbraw/zinc/21/44/39/347214439.db2.gz KHUSGPWWOHCBOU-UHFFFAOYSA-N 0 3 273.384 2.240 20 30 CEEDHN CCc1n[nH]c(C2CCN(CC3(CC#N)CC3)CC2)n1 ZINC000602826117 347214441 /nfs/dbraw/zinc/21/44/41/347214441.db2.gz KHUSGPWWOHCBOU-UHFFFAOYSA-N 0 3 273.384 2.240 20 30 CEEDHN CCNC(=O)C[C@@H]1CCCCN1CC1(CC#N)CC1 ZINC000602826905 347215742 /nfs/dbraw/zinc/21/57/42/347215742.db2.gz MEUBHDICRPJHQM-ZDUSSCGKSA-N 0 3 263.385 2.061 20 30 CEEDHN CCOC(=O)CCCCCN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849248 347224098 /nfs/dbraw/zinc/22/40/98/347224098.db2.gz KNMJYVMMDPCEAI-GASCZTMLSA-N 0 3 295.427 2.028 20 30 CEEDHN C[C@H](CC#N)NC[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000602871656 347232632 /nfs/dbraw/zinc/23/26/32/347232632.db2.gz TUDMUWYHDSCJEE-KGLIPLIRSA-N 0 3 271.364 2.040 20 30 CEEDHN C=C(CC)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962722 347258414 /nfs/dbraw/zinc/25/84/14/347258414.db2.gz NZTOSPKJUBMPPW-CQSZACIVSA-N 0 3 264.325 2.358 20 30 CEEDHN C[C@](CO)(NCCCCC#N)c1cccc([N+](=O)[O-])c1 ZINC000602965830 347258489 /nfs/dbraw/zinc/25/84/89/347258489.db2.gz PEHSDNWBBWVTJK-CQSZACIVSA-N 0 3 277.324 2.086 20 30 CEEDHN CC(C)(CC#N)CNCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000603433040 347369577 /nfs/dbraw/zinc/36/95/77/347369577.db2.gz QCIWSIXUSTWJFX-UHFFFAOYSA-N 0 3 258.325 2.298 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)Cc1ccn(C)c(=O)c1 ZINC000604487256 347416956 /nfs/dbraw/zinc/41/69/56/347416956.db2.gz LILPEQBEGABTHU-UHFFFAOYSA-N 0 3 293.370 2.445 20 30 CEEDHN C[C@@H](NCc1ccc(CC(N)=O)cc1)c1ccc(C#N)cc1 ZINC000608982443 347625202 /nfs/dbraw/zinc/62/52/02/347625202.db2.gz GTQOGZPEXYYIFA-CYBMUJFWSA-N 0 3 293.370 2.437 20 30 CEEDHN CN(C)C[C@H]1CCCCN1C(=O)c1cccc(CC#N)c1 ZINC000609175267 347629989 /nfs/dbraw/zinc/62/99/89/347629989.db2.gz KFJMRMJHALGEER-MRXNPFEDSA-N 0 3 285.391 2.309 20 30 CEEDHN N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(CC2CC2)C1 ZINC000609384460 347637815 /nfs/dbraw/zinc/63/78/15/347637815.db2.gz WQSGSOGYAASSLP-CYBMUJFWSA-N 0 3 286.335 2.363 20 30 CEEDHN CC(C)[C@H](NCc1ccc(C#N)cc1)C(=O)N1CCCC1 ZINC000609616267 347646391 /nfs/dbraw/zinc/64/63/91/347646391.db2.gz YAIAVUCUEXYKGE-INIZCTEOSA-N 0 3 285.391 2.295 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000609921131 347655636 /nfs/dbraw/zinc/65/56/36/347655636.db2.gz MPALFGQFPWVBAM-RYUDHWBXSA-N 0 3 291.782 2.442 20 30 CEEDHN Cc1csc(CCNCc2cnc3ccc(C#N)cn23)n1 ZINC000609918364 347655711 /nfs/dbraw/zinc/65/57/11/347655711.db2.gz CJRDKBFIEKWDPT-UHFFFAOYSA-N 0 3 297.387 2.303 20 30 CEEDHN CC(C)[C@@H](C(=O)N[C@H](C)c1cccc(C#N)c1)N(C)C ZINC000610364885 347676100 /nfs/dbraw/zinc/67/61/00/347676100.db2.gz WFXWCWIXSQLZQL-DOMZBBRYSA-N 0 3 273.380 2.322 20 30 CEEDHN COC[C@@H]1CCCN1CCC(=O)Nc1sccc1C#N ZINC000610605296 347696284 /nfs/dbraw/zinc/69/62/84/347696284.db2.gz WMSBAYSRCMMOFN-LBPRGKRZSA-N 0 3 293.392 2.059 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)c1cc(C#N)cs1 ZINC000610628213 347697702 /nfs/dbraw/zinc/69/77/02/347697702.db2.gz YCAFREWUECRIHT-GFCCVEGCSA-N 0 3 277.393 2.224 20 30 CEEDHN N#CCN1CCC(NCc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000610658185 347698963 /nfs/dbraw/zinc/69/89/63/347698963.db2.gz JUCDZCDFVZXHQP-UHFFFAOYSA-N 0 3 295.390 2.154 20 30 CEEDHN CN1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000610877178 347720247 /nfs/dbraw/zinc/72/02/47/347720247.db2.gz QQAMTAVUYLMZJF-NSHDSACASA-N 0 3 292.770 2.427 20 30 CEEDHN N#Cc1cc(CN2CCc3ccc(O)cc3CC2)ccn1 ZINC000610993065 347729044 /nfs/dbraw/zinc/72/90/44/347729044.db2.gz BSUHUVMRLPWVAT-UHFFFAOYSA-N 0 3 279.343 2.260 20 30 CEEDHN CC(C)NC(=O)C(C#N)c1ccc2ccccc2n1 ZINC000611158144 347745770 /nfs/dbraw/zinc/74/57/70/347745770.db2.gz BUDAHZDSBYIXIY-LBPRGKRZSA-N 0 3 253.305 2.367 20 30 CEEDHN CC[C@@H](C(=O)N[C@H](C#N)CC(C)C)N(CC)CC ZINC000611250655 347758373 /nfs/dbraw/zinc/75/83/73/347758373.db2.gz LQQRHZDHQXLRAQ-STQMWFEESA-N 0 3 253.390 2.161 20 30 CEEDHN CCc1cccnc1[C@H](C)NC1CCN(CC#N)CC1 ZINC000611559430 347794554 /nfs/dbraw/zinc/79/45/54/347794554.db2.gz AFDBDSCCDRUZBB-ZDUSSCGKSA-N 0 3 272.396 2.283 20 30 CEEDHN C[C@H](NC1CCN(CC#N)CC1)c1ccc(C#N)cc1F ZINC000611587430 347797431 /nfs/dbraw/zinc/79/74/31/347797431.db2.gz CNWKVBNYYNCIOU-LBPRGKRZSA-N 0 3 286.354 2.336 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCC(=O)NCC1CC1 ZINC000611521890 347790982 /nfs/dbraw/zinc/79/09/82/347790982.db2.gz LFNRGRAGUAIZBM-INIZCTEOSA-N 0 3 283.375 2.051 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612376097 347876616 /nfs/dbraw/zinc/87/66/16/347876616.db2.gz SGHZJRKMWVPCAW-ZBFHGGJFSA-N 0 3 292.427 2.196 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCN(CC2CC2)CC1 ZINC000130424795 365955339 /nfs/dbraw/zinc/95/53/39/365955339.db2.gz NWNLPKAOSUKEKO-UHFFFAOYSA-N 0 3 285.391 2.094 20 30 CEEDHN CC(C)(C#N)c1ccc(CN2CCC[C@H](O)C2)cc1 ZINC000614159964 348152191 /nfs/dbraw/zinc/15/21/91/348152191.db2.gz CRUNZSGFJFLIPG-HNNXBMFYSA-N 0 3 258.365 2.444 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2CC[C@H]3CCC[C@@H]32)cc1 ZINC000614600981 348221243 /nfs/dbraw/zinc/22/12/43/348221243.db2.gz ZOJLDOUYOQPYCI-CVEARBPZSA-N 0 3 283.375 2.049 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H]([C@@H](C)O)C1 ZINC000614403856 348194861 /nfs/dbraw/zinc/19/48/61/348194861.db2.gz SGMNFBQUYUZDMI-CZUORRHYSA-N 0 3 258.365 2.460 20 30 CEEDHN CC(C)CCN(CCC(C)C)CC(=O)NCC#N ZINC000066492554 362869339 /nfs/dbraw/zinc/86/93/39/362869339.db2.gz UNLPUFLMKMCJJU-UHFFFAOYSA-N 0 3 253.390 2.020 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](n2cncn2)C1 ZINC000614963607 348261040 /nfs/dbraw/zinc/26/10/40/348261040.db2.gz JHZZPXIVUUTYOK-DOMZBBRYSA-N 0 3 267.336 2.158 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1[C@H](C)CCC[C@H]1C ZINC000066531871 362872040 /nfs/dbraw/zinc/87/20/40/362872040.db2.gz MBVOOGJXONFFBS-ZIAGYGMSSA-N 0 3 250.386 2.450 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1C(=O)c1ccccc1 ZINC000615909716 348410998 /nfs/dbraw/zinc/41/09/98/348410998.db2.gz YAVIBVMUZHSFOP-DGCLKSJQSA-N 0 3 256.305 2.020 20 30 CEEDHN C=CCOc1ccc(C(=O)N(CC)[C@H]2CCN(C)C2)cc1 ZINC000617558010 348733978 /nfs/dbraw/zinc/73/39/78/348733978.db2.gz YDMXMYJWZSMMIQ-HNNXBMFYSA-N 0 3 288.391 2.418 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000617919663 348822361 /nfs/dbraw/zinc/82/23/61/348822361.db2.gz AVEUSDBOQISXMA-WMZOPIPTSA-N 0 3 298.386 2.398 20 30 CEEDHN C[C@@H]1C[C@@H]1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000357724454 233131626 /nfs/dbraw/zinc/13/16/26/233131626.db2.gz AHPZYMDLOPTYPM-RHSMWYFYSA-N 0 3 299.418 2.495 20 30 CEEDHN CN1CCN(c2ccncc2N[C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000618574575 348980623 /nfs/dbraw/zinc/98/06/23/348980623.db2.gz DCAABDNPTDUSPT-CABCVRRESA-N 0 3 299.422 2.328 20 30 CEEDHN CCC#C[C@H](C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618761703 349038915 /nfs/dbraw/zinc/03/89/15/349038915.db2.gz XQIYEDRCWCRDCN-LBPRGKRZSA-N 0 3 276.340 2.230 20 30 CEEDHN CC[C@H](C(=O)N[C@@H]1CCc2cc(C#N)ccc21)N(C)C ZINC000618891035 349061350 /nfs/dbraw/zinc/06/13/50/349061350.db2.gz RDOQHUGTRXZCFN-HUUCEWRRSA-N 0 3 271.364 2.002 20 30 CEEDHN C[C@H]1CCC[C@@]1(O)CNCc1ccc(C#N)c(F)c1 ZINC000404154195 233193484 /nfs/dbraw/zinc/19/34/84/233193484.db2.gz UNODRRNXOLPPSA-XHDPSFHLSA-N 0 3 262.328 2.338 20 30 CEEDHN COC(=O)C[C@@H]1CC[C@H](NCC(C)(C)C#N)[C@@H]1C ZINC000619428860 349178852 /nfs/dbraw/zinc/17/88/52/349178852.db2.gz GARMSPODFUYMSB-WOPDTQHZSA-N 0 3 252.358 2.104 20 30 CEEDHN C[C@@H]1OCC[C@H]1NCc1ccc(C#N)c(Cl)c1 ZINC000619748601 349232310 /nfs/dbraw/zinc/23/23/10/349232310.db2.gz JPEXYBJGNOKRLK-TVQRCGJNSA-N 0 3 250.729 2.479 20 30 CEEDHN CO[C@]1(C)CCCN(Cc2ccnc(C#N)c2)CC1 ZINC000619512873 349192607 /nfs/dbraw/zinc/19/26/07/349192607.db2.gz QGMPSUAXDZEKKO-OAHLLOKOSA-N 0 3 259.353 2.344 20 30 CEEDHN C=CCC(CC=C)C(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000271219310 191009625 /nfs/dbraw/zinc/00/96/25/191009625.db2.gz ZPMMRKZSDHFOJC-UONOGXRCSA-N 0 3 282.453 2.259 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000623872837 350131496 /nfs/dbraw/zinc/13/14/96/350131496.db2.gz QAEZQBLRUZWMSK-KGLIPLIRSA-N 0 3 277.412 2.244 20 30 CEEDHN CN(CCc1cnccn1)Cc1ccc(F)c(C#N)c1 ZINC000271321384 191072585 /nfs/dbraw/zinc/07/25/85/191072585.db2.gz JXTARRHCPJDRND-UHFFFAOYSA-N 0 3 270.311 2.162 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1CC(OC)C1)C(C)C ZINC000625557861 350526975 /nfs/dbraw/zinc/52/69/75/350526975.db2.gz QLEQDUJLRFLSOB-GPANFISMSA-N 0 3 294.439 2.226 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000625699531 350549354 /nfs/dbraw/zinc/54/93/54/350549354.db2.gz AFZLKHZAFRDAFL-LBPRGKRZSA-N 0 3 294.345 2.479 20 30 CEEDHN C=CC[C@H]1CCN(CCCCCS(=O)(=O)CC)C1 ZINC000625704132 350551656 /nfs/dbraw/zinc/55/16/56/350551656.db2.gz VVSRYEWOMMWGES-AWEZNQCLSA-N 0 3 273.442 2.489 20 30 CEEDHN C=CC[C@H](C)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625943345 350611312 /nfs/dbraw/zinc/61/13/12/350611312.db2.gz WUDIRQYRIHDJNC-NSHDSACASA-N 0 3 275.352 2.255 20 30 CEEDHN COc1cc(C#N)ccc1OCCN(C)C1CC(OC)C1 ZINC000352221484 219370008 /nfs/dbraw/zinc/37/00/08/219370008.db2.gz MMPUTMQHEOFCHM-UHFFFAOYSA-N 0 3 290.363 2.055 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC(n2ccnc2)CC1 ZINC000109793681 186273036 /nfs/dbraw/zinc/27/30/36/186273036.db2.gz YBQMZSNKMRZTSP-UHFFFAOYSA-N 0 3 296.374 2.471 20 30 CEEDHN C=CC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000111256902 186379520 /nfs/dbraw/zinc/37/95/20/186379520.db2.gz BEELIXMKPKEOEF-UHFFFAOYSA-N 0 3 283.375 2.364 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)CC2CCN(C)CC2)C1 ZINC000628491309 351115936 /nfs/dbraw/zinc/11/59/36/351115936.db2.gz VTSGOGUZLINSBF-CQSZACIVSA-N 0 3 250.386 2.143 20 30 CEEDHN C=CC[C@H]1CCN(Cc2cnc(N3CCOCC3)s2)C1 ZINC000628405792 351093639 /nfs/dbraw/zinc/09/36/39/351093639.db2.gz UQISTGVZEHVDKC-ZDUSSCGKSA-N 0 3 293.436 2.378 20 30 CEEDHN N#CC1(CCCN2CCSCC2)CCOCC1 ZINC000337130848 366032465 /nfs/dbraw/zinc/03/24/65/366032465.db2.gz JJGLMRGEDHQJRQ-UHFFFAOYSA-N 0 3 254.399 2.136 20 30 CEEDHN C=CCN1CC[C@@H](N(CCC)C[C@@H]2CCCCO2)C1=O ZINC000337156747 366044868 /nfs/dbraw/zinc/04/48/68/366044868.db2.gz PAJMNVPMKCHWSL-LSDHHAIUSA-N 0 3 280.412 2.054 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000630731765 351835399 /nfs/dbraw/zinc/83/53/99/351835399.db2.gz UBKLLNGXOQZSOJ-ZDUSSCGKSA-N 0 3 250.386 2.333 20 30 CEEDHN CSCCN(C)CCOc1ccccc1C#N ZINC000122301030 187025178 /nfs/dbraw/zinc/02/51/78/187025178.db2.gz QAKCILPQMZLESD-UHFFFAOYSA-N 0 3 250.367 2.232 20 30 CEEDHN COCCN(CCCF)Cc1ccc(C#N)cc1 ZINC000124224767 187127606 /nfs/dbraw/zinc/12/76/06/187127606.db2.gz JCSBUUOCKGCQFT-UHFFFAOYSA-N 0 3 250.317 2.366 20 30 CEEDHN CN1CC[C@@]2(CCN(C(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000291963143 198118576 /nfs/dbraw/zinc/11/85/76/198118576.db2.gz WSIBWXGHZYLNHN-MRXNPFEDSA-N 0 3 284.363 2.118 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC000630943222 351896403 /nfs/dbraw/zinc/89/64/03/351896403.db2.gz PMMUCTGKQSEIHY-WBVHZDCISA-N 0 3 292.423 2.102 20 30 CEEDHN C[C@@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000072873314 363173938 /nfs/dbraw/zinc/17/39/38/363173938.db2.gz WJQSKGBPWFIMKV-XJKCOSOUSA-N 0 3 283.375 2.251 20 30 CEEDHN N#Cc1csc(C(=O)N[C@H]2CCN(C3CCCC3)C2)c1 ZINC000336454990 213322578 /nfs/dbraw/zinc/32/25/78/213322578.db2.gz VVSLBYLGSVSKKA-LBPRGKRZSA-N 0 3 289.404 2.366 20 30 CEEDHN C=CCN1CC[C@@H](N(C)CCCc2ccsc2)C1=O ZINC000337220088 366085643 /nfs/dbraw/zinc/08/56/43/366085643.db2.gz KIEPSGICXYNHPU-CQSZACIVSA-N 0 3 278.421 2.399 20 30 CEEDHN C=C(C)COc1cc(CN(CC)CCO)ccc1OC ZINC000158681912 188388965 /nfs/dbraw/zinc/38/89/65/188388965.db2.gz QYRUKKQTZVWWSW-UHFFFAOYSA-N 0 3 279.380 2.464 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@](O)(C2CC2)C1 ZINC000336425112 213286279 /nfs/dbraw/zinc/28/62/79/213286279.db2.gz JXFXPXMACGTIPO-LRDDRELGSA-N 0 3 256.349 2.466 20 30 CEEDHN C[C@@H](C(=O)NCc1ccc(C#N)cc1)N1CCCCCC1 ZINC000074435440 363338610 /nfs/dbraw/zinc/33/86/10/363338610.db2.gz WRGSCDBDTVXKEB-AWEZNQCLSA-N 0 3 285.391 2.439 20 30 CEEDHN N#C[C@H]1CCC[C@H](NCc2ccccc2Cn2cncn2)C1 ZINC000337826464 366177551 /nfs/dbraw/zinc/17/75/51/366177551.db2.gz WHSLTLJNEBCPPM-YOEHRIQHSA-N 0 3 295.390 2.498 20 30 CEEDHN FC(F)[C@@H]1CCN(CC#CCN2CC[C@H](C(F)F)C2)C1 ZINC000671242497 540025002 /nfs/dbraw/zinc/02/50/02/540025002.db2.gz DLFITQXATVUPRG-TXEJJXNPSA-N 0 3 292.320 2.164 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000338132037 366205654 /nfs/dbraw/zinc/20/56/54/366205654.db2.gz PXKXADHJCVSIKH-RISCZKNCSA-N 0 3 271.364 2.079 20 30 CEEDHN N#Cc1cccc(NC(=O)[C@H]2CCCN2C2CCOCC2)c1 ZINC000133237545 366206413 /nfs/dbraw/zinc/20/64/13/366206413.db2.gz OIGDYMJDNWNPPH-MRXNPFEDSA-N 0 3 299.374 2.140 20 30 CEEDHN Cc1cc(C(=O)NC[C@@H]2CCCCN2C2CC2)ncc1C#N ZINC000569786482 299218988 /nfs/dbraw/zinc/21/89/88/299218988.db2.gz PKOVDUJCZZXOKA-HNNXBMFYSA-N 0 3 298.390 2.008 20 30 CEEDHN N#Cc1cc2c(nc1N1CC[C@H](N3CCCC3)C1)CCC2 ZINC000071138531 283116203 /nfs/dbraw/zinc/11/62/03/283116203.db2.gz ZMGSJDRUADFOJZ-HNNXBMFYSA-N 0 3 282.391 2.116 20 30 CEEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)s2)[C@@]12CCCO2 ZINC000273591273 192219199 /nfs/dbraw/zinc/21/91/99/192219199.db2.gz JUKZNXKKDFZLIK-ZNMIVQPWSA-N 0 3 292.404 2.436 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000075768808 363488281 /nfs/dbraw/zinc/48/82/81/363488281.db2.gz XKOMXCSYCMFCAO-GJZGRUSLSA-N 0 3 262.397 2.452 20 30 CEEDHN C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CCS1 ZINC000134342717 366310383 /nfs/dbraw/zinc/31/03/83/366310383.db2.gz USBFPHGHOYJYFZ-GFCCVEGCSA-N 0 3 289.404 2.324 20 30 CEEDHN CC(C)OCC[C@H](O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000338362622 366317961 /nfs/dbraw/zinc/31/79/61/366317961.db2.gz RIOQJOULLYRJFS-BBRMVZONSA-N 0 3 276.380 2.385 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccnn2CCC)CC1 ZINC000668370485 538894212 /nfs/dbraw/zinc/89/42/12/538894212.db2.gz YIBMSAOANDZOSY-UHFFFAOYSA-N 0 3 290.411 2.063 20 30 CEEDHN N#Cc1csc(CN[C@@H]2CCCC23CCOCC3)n1 ZINC000577802916 366398708 /nfs/dbraw/zinc/39/87/08/366398708.db2.gz RZWFDLQWYLAJOU-GFCCVEGCSA-N 0 3 277.393 2.454 20 30 CEEDHN N#CCNC(=O)CN1CCC[C@@H]1CCCc1ccccc1 ZINC000135366453 366433507 /nfs/dbraw/zinc/43/35/07/366433507.db2.gz VLPPSBVRQQFRMV-INIZCTEOSA-N 0 3 285.391 2.113 20 30 CEEDHN CC(=O)c1ccc(C#N)c(N2CC[C@H](CN(C)C)C2)c1 ZINC000338688888 366471361 /nfs/dbraw/zinc/47/13/61/366471361.db2.gz JNZMNKZIJHVPJC-CYBMUJFWSA-N 0 3 271.364 2.149 20 30 CEEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H](C)CO ZINC000671724406 540492779 /nfs/dbraw/zinc/49/27/79/540492779.db2.gz SVUFFXVUHXVNRM-CQSZACIVSA-N 0 3 265.401 2.471 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCN1C ZINC000578736279 366540601 /nfs/dbraw/zinc/54/06/01/366540601.db2.gz FMTYXYOMNBWGCG-ISWURRPUSA-N 0 3 297.402 2.261 20 30 CEEDHN CCN1CCCC[C@H]1C(=O)NCCc1cccc(C#N)c1 ZINC000341717394 216076844 /nfs/dbraw/zinc/07/68/44/216076844.db2.gz ZUPYQSUXSBJZSQ-INIZCTEOSA-N 0 3 285.391 2.091 20 30 CEEDHN N#Cc1ccc(OC2CCN(CCc3cn[nH]c3)CC2)cc1 ZINC000297852095 200291642 /nfs/dbraw/zinc/29/16/42/200291642.db2.gz OOJRGDCYQZHJKH-UHFFFAOYSA-N 0 3 296.374 2.367 20 30 CEEDHN C[C@@H]1CCCN(CCNCc2ccc(C#N)s2)C1 ZINC000176948021 189016421 /nfs/dbraw/zinc/01/64/21/189016421.db2.gz DQYHAUVIVRESDW-GFCCVEGCSA-N 0 3 263.410 2.441 20 30 CEEDHN CO[C@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000178315727 189105653 /nfs/dbraw/zinc/10/56/53/189105653.db2.gz APEPWQXYATZVKF-INIZCTEOSA-N 0 3 274.364 2.438 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)nc2C)CC1 ZINC000178540982 189125657 /nfs/dbraw/zinc/12/56/57/189125657.db2.gz KKFRIPBCNYQILS-UHFFFAOYSA-N 0 3 293.798 2.424 20 30 CEEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)CC(C)(C)C#N)C[C@@H](C)C1 ZINC000346260483 297305005 /nfs/dbraw/zinc/30/50/05/297305005.db2.gz LTYQBFFJGGRUTH-MJBXVCDLSA-N 0 3 277.412 2.115 20 30 CEEDHN COC(=O)CCN(CC#Cc1ccc(F)cc1)C(C)C ZINC000152120538 366688934 /nfs/dbraw/zinc/68/89/34/366688934.db2.gz FVIISUDSOSKONH-UHFFFAOYSA-N 0 3 277.339 2.451 20 30 CEEDHN Cc1nn(-c2ccccc2)cc1CCCNC(=O)C(C)C#N ZINC000580364786 366778184 /nfs/dbraw/zinc/77/81/84/366778184.db2.gz QNZBWMLWKDFKES-ZDUSSCGKSA-N 0 3 296.374 2.389 20 30 CEEDHN COc1ccc(CN2CC[C@@H]([C@H]3CCOC3)C2)cc1C#N ZINC000340173349 366789563 /nfs/dbraw/zinc/78/95/63/366789563.db2.gz KZNHYJJTLPCEQU-CABCVRRESA-N 0 3 286.375 2.425 20 30 CEEDHN Cc1cc(N(CCN(C)C)Cc2ccc(C#N)cc2)ncn1 ZINC000301669976 201127182 /nfs/dbraw/zinc/12/71/82/201127182.db2.gz YKAMJJZMSWYXLZ-UHFFFAOYSA-N 0 3 295.390 2.225 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)c1nccc(C#N)c1Cl ZINC000342410488 216343447 /nfs/dbraw/zinc/34/34/47/216343447.db2.gz SWBCRHVHWKWVHY-NSHDSACASA-N 0 3 278.787 2.385 20 30 CEEDHN CN(CCNC(=O)c1cc(C#N)cs1)Cc1ccccc1 ZINC000084085767 363796962 /nfs/dbraw/zinc/79/69/62/363796962.db2.gz GEYDQXXABRVBQY-UHFFFAOYSA-N 0 3 299.399 2.482 20 30 CEEDHN C=C(C)CN(CC)Cc1cccc(NS(C)(=O)=O)c1 ZINC000678121179 541084544 /nfs/dbraw/zinc/08/45/44/541084544.db2.gz VAHSSYBGORUBHY-UHFFFAOYSA-N 0 3 282.409 2.456 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(C(C)(C)CO)CC1 ZINC000678717122 541165779 /nfs/dbraw/zinc/16/57/79/541165779.db2.gz FZTOHVVTJWEXRY-CQSZACIVSA-N 0 3 254.418 2.120 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccccc1-n1cccn1 ZINC000678773084 541171020 /nfs/dbraw/zinc/17/10/20/541171020.db2.gz GFIZRFWGAJYEQP-HIFRSBDPSA-N 0 3 271.364 2.460 20 30 CEEDHN CC(=O)c1ccc(C#N)c(N2CC[C@@H](N3CCCC3)C2)c1 ZINC000302034310 201310849 /nfs/dbraw/zinc/31/08/49/201310849.db2.gz OMVQCAQFMWUZRG-MRXNPFEDSA-N 0 3 283.375 2.435 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C[C@@H]2CCCCO2)CC1 ZINC000087318155 363847203 /nfs/dbraw/zinc/84/72/03/363847203.db2.gz FUGPCOLDZYDYLX-HNNXBMFYSA-N 0 3 280.412 2.102 20 30 CEEDHN C#CCCOc1ccc(CNCC2(C(=O)OC)CC2)cc1 ZINC000188689638 189510202 /nfs/dbraw/zinc/51/02/02/189510202.db2.gz HLURFXQJMAUBIA-UHFFFAOYSA-N 0 3 287.359 2.132 20 30 CEEDHN Cc1cc(CN2[C@@H]3CC[C@H]2CN(C)C(=O)C3)ccc1C#N ZINC000334622796 364094311 /nfs/dbraw/zinc/09/43/11/364094311.db2.gz OVQDKPWLARMKAT-CVEARBPZSA-N 0 3 283.375 2.062 20 30 CEEDHN N#Cc1csc(CNC[C@H]2CCCC[C@@H]2O)c1 ZINC000093492690 364194054 /nfs/dbraw/zinc/19/40/54/364194054.db2.gz GXVISKCJCVIOJE-YPMHNXCESA-N 0 3 250.367 2.260 20 30 CEEDHN COc1ccc(CN2CCN3CCCC[C@@H]3C2)cc1C#N ZINC000094439516 364273509 /nfs/dbraw/zinc/27/35/09/364273509.db2.gz CDKLHEWTHKDUBJ-MRXNPFEDSA-N 0 3 285.391 2.237 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc(F)cc1C#N ZINC000334986541 364311560 /nfs/dbraw/zinc/31/15/60/364311560.db2.gz JOAZHJQWCSYTMA-ZDUSSCGKSA-N 0 3 290.342 2.255 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N(C)C[C@H]1CCCN1C ZINC000334986569 364311858 /nfs/dbraw/zinc/31/18/58/364311858.db2.gz KHQRBMBJTHFECT-CQSZACIVSA-N 0 3 286.379 2.425 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)Nc1ccc(C#N)cc1 ZINC000335012450 364350162 /nfs/dbraw/zinc/35/01/62/364350162.db2.gz WOJWBMQBNNNPEY-CQSZACIVSA-N 0 3 272.352 2.116 20 30 CEEDHN CC(C)(C)OC(=O)N[C@@H]1CCN(CCCSCC#N)C1 ZINC000157150263 366841281 /nfs/dbraw/zinc/84/12/81/366841281.db2.gz PARNORYNRSSZGO-GFCCVEGCSA-N 0 3 299.440 2.232 20 30 CEEDHN CCCCCCCCN1CCCN(CC(=O)N(C)C)CC1 ZINC000157566152 366845283 /nfs/dbraw/zinc/84/52/83/366845283.db2.gz CJTQTFQQZNOFKE-UHFFFAOYSA-N 0 3 297.487 2.443 20 30 CEEDHN CC(C#N)C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000335142811 364535989 /nfs/dbraw/zinc/53/59/89/364535989.db2.gz BAWJJPXDDWSVED-ZWNOBZJWSA-N 0 3 278.739 2.400 20 30 CEEDHN N#Cc1ccc(CN2CCCC[C@@H]2C2(O)CC2)cc1 ZINC000335155183 364550708 /nfs/dbraw/zinc/55/07/08/364550708.db2.gz HULMCUIEQHFXMV-OAHLLOKOSA-N 0 3 256.349 2.438 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000335199434 364613361 /nfs/dbraw/zinc/61/33/61/364613361.db2.gz AUQQUMHIVXIQKG-QGZVFWFLSA-N 0 3 289.423 2.261 20 30 CEEDHN N#Cc1cc(F)ccc1N1CCN(CC2CC2)CC1 ZINC000111036219 364724859 /nfs/dbraw/zinc/72/48/59/364724859.db2.gz WDTVWTWCZRFHBT-UHFFFAOYSA-N 0 3 259.328 2.229 20 30 CEEDHN N#Cc1ccc(C(=O)N2CCCN(CC3CCC3)CC2)o1 ZINC000335632012 212345700 /nfs/dbraw/zinc/34/57/00/212345700.db2.gz SFQGXTFRRCGBDV-UHFFFAOYSA-N 0 3 287.363 2.099 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C1(C#N)CCCC1 ZINC000335738351 364909973 /nfs/dbraw/zinc/90/99/73/364909973.db2.gz HLKZTVIJWSVXPT-ZDUSSCGKSA-N 0 3 277.412 2.307 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(C#N)ccc1Cl ZINC000335601109 212312633 /nfs/dbraw/zinc/31/26/33/212312633.db2.gz VBPXSJASZHJELD-LBPRGKRZSA-N 0 3 291.782 2.378 20 30 CEEDHN C=C1CCN(CCC(=O)N2CCOc3ccccc32)CC1 ZINC000335797963 364997321 /nfs/dbraw/zinc/99/73/21/364997321.db2.gz IYYPYEVOVJLMMK-UHFFFAOYSA-N 0 3 286.375 2.454 20 30 CEEDHN CCN1CCC(NC(=O)Nc2cccc(C#N)c2C)CC1 ZINC000335845238 365061694 /nfs/dbraw/zinc/06/16/94/365061694.db2.gz ZWRFSABZEFISGH-UHFFFAOYSA-N 0 3 286.379 2.473 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CCN1C ZINC000335848535 365065776 /nfs/dbraw/zinc/06/57/76/365065776.db2.gz HNVBTBOXCGGCSP-XJKSGUPXSA-N 0 3 297.402 2.189 20 30 CEEDHN Cc1cc(CN2CCC(C(=O)N(C)C)CC2)ccc1C#N ZINC000335863140 365085787 /nfs/dbraw/zinc/08/57/87/365085787.db2.gz XZXVUZXIVCXHAC-UHFFFAOYSA-N 0 3 285.391 2.167 20 30 CEEDHN C[C@H]1CN(C)C[C@@H]1NC1(c2cccc(C#N)c2)CC1 ZINC000335936240 365183229 /nfs/dbraw/zinc/18/32/29/365183229.db2.gz HPKGHRKRHAULCJ-WFASDCNBSA-N 0 3 255.365 2.087 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)[C@@]1(COC)CCCCN1 ZINC000638866758 370807075 /nfs/dbraw/zinc/80/70/75/370807075.db2.gz URDGWVGPPAPRMX-INIZCTEOSA-N 0 3 282.428 2.254 20 30 CEEDHN CC(C)[C@@H](O)CNC1CC(C#N)(c2ccccc2)C1 ZINC000119223029 365238608 /nfs/dbraw/zinc/23/86/08/365238608.db2.gz NBJLDVVMPKZWJJ-PCKAHOCUSA-N 0 3 258.365 2.217 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000119949814 365348649 /nfs/dbraw/zinc/34/86/49/365348649.db2.gz DTPAUYDYVQGDKB-HUUCEWRRSA-N 0 3 291.439 2.468 20 30 CEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC1(C)C ZINC000120172870 365384878 /nfs/dbraw/zinc/38/48/78/365384878.db2.gz XIHRPPIITRQJEQ-MRXNPFEDSA-N 0 3 299.418 2.495 20 30 CEEDHN CN(Cc1ccc(C#N)s1)[C@@H]1CCCC[C@H]1O ZINC000336115235 365429611 /nfs/dbraw/zinc/42/96/11/365429611.db2.gz IWNLZSVRVZUDTR-CHWSQXEVSA-N 0 3 250.367 2.355 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H](CC)c1ccc(OC)cc1 ZINC000121076444 365520426 /nfs/dbraw/zinc/52/04/26/365520426.db2.gz AGCDWDRJEZTHBQ-WFASDCNBSA-N 0 3 276.380 2.427 20 30 CEEDHN C=CCCOCCNCc1ccc(OC)c(O)c1 ZINC000120840571 365483304 /nfs/dbraw/zinc/48/33/04/365483304.db2.gz HGEPKNAJLFOPFS-UHFFFAOYSA-N 0 3 251.326 2.083 20 30 CEEDHN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C(C)C#N ZINC000357791093 370829318 /nfs/dbraw/zinc/82/93/18/370829318.db2.gz FPMJIDISGNTJIH-LBPRGKRZSA-N 0 3 296.374 2.324 20 30 CEEDHN N#Cc1ccc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(Cl)c1 ZINC000162931776 367205112 /nfs/dbraw/zinc/20/51/12/367205112.db2.gz OMWJIIRZZMLWGF-LNSITVRQSA-N 0 3 276.767 2.414 20 30 CEEDHN C[C@H](N[C@H]1C=C[C@@H](CO)C1)c1ccc(C#N)c(F)c1 ZINC000341246913 367242795 /nfs/dbraw/zinc/24/27/95/367242795.db2.gz MRAAKGDRRHJYBD-WDMOLILDSA-N 0 3 260.312 2.285 20 30 CEEDHN COc1ccc(C[C@@H](C)CN(C)C(=O)C(C)C#N)cc1 ZINC000342399696 367404666 /nfs/dbraw/zinc/40/46/66/367404666.db2.gz VLLRMTNMNKBROV-OLZOCXBDSA-N 0 3 274.364 2.492 20 30 CEEDHN CC#CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000342795286 367539699 /nfs/dbraw/zinc/53/96/99/367539699.db2.gz FJBFYZXGVMYFLS-HOCLYGCPSA-N 0 3 285.391 2.144 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(F)cc2F)CC1 ZINC000171725272 367604625 /nfs/dbraw/zinc/60/46/25/367604625.db2.gz UBSAZNXELLHNPD-UHFFFAOYSA-N 0 3 280.318 2.345 20 30 CEEDHN CCC#C[C@H](C)N1CC[C@]2(C1)c1ccccc1NC2=O ZINC000681699415 541583789 /nfs/dbraw/zinc/58/37/89/541583789.db2.gz USZQGTVQWWOGJN-GUYCJALGSA-N 0 3 268.360 2.384 20 30 CEEDHN N#CCc1ccc(CN2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000343434977 367813125 /nfs/dbraw/zinc/81/31/25/367813125.db2.gz XAIKPTLLKNZDNU-KRWDZBQOSA-N 0 3 295.390 2.256 20 30 CEEDHN C[C@H](CNC(=O)NCCCCC#N)N1CCC[C@H](C)C1 ZINC000245805279 370875363 /nfs/dbraw/zinc/87/53/63/370875363.db2.gz CHUULUBFGIHHJE-UONOGXRCSA-N 0 3 280.416 2.100 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000343619754 367921607 /nfs/dbraw/zinc/92/16/07/367921607.db2.gz ZLQBFNZHJZMXAR-OCCSQVGLSA-N 0 3 250.386 2.354 20 30 CEEDHN CSCC[C@@H](CO)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353270760 220000010 /nfs/dbraw/zinc/00/00/10/220000010.db2.gz WWPAHACSMMSOFS-ZFWWWQNUSA-N 0 3 276.405 2.249 20 30 CEEDHN CCCN(CC)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000343641391 367933175 /nfs/dbraw/zinc/93/31/75/367933175.db2.gz BXNRASDIEZJIIP-GXTWGEPZSA-N 0 3 253.390 2.161 20 30 CEEDHN C=CCC[C@@H](NCCN1CCNC1=O)c1ccccc1 ZINC000343737660 367980157 /nfs/dbraw/zinc/98/01/57/367980157.db2.gz RLTHQDNOVNDZOP-OAHLLOKOSA-N 0 3 273.380 2.309 20 30 CEEDHN Cc1nn(C)c(C)c1C[C@@H](C)NCc1ccc(C#N)o1 ZINC000174544016 368037996 /nfs/dbraw/zinc/03/79/96/368037996.db2.gz DRNZNFJQJMILPT-SNVBAGLBSA-N 0 3 272.352 2.222 20 30 CEEDHN Cc1nccn1CCCCNCc1ccc(C#N)o1 ZINC000174453498 368024920 /nfs/dbraw/zinc/02/49/20/368024920.db2.gz CIALRDMHRBWOFD-UHFFFAOYSA-N 0 3 258.325 2.226 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNc1ncnc2[nH]ccc21)C(C)C ZINC000343919880 368074373 /nfs/dbraw/zinc/07/43/73/368074373.db2.gz SDEOUXWDTMTDSN-HNNXBMFYSA-N 0 3 299.422 2.490 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000287269651 376192351 /nfs/dbraw/zinc/19/23/51/376192351.db2.gz HRUJJOPNGAILPC-INIZCTEOSA-N 0 3 283.375 2.003 20 30 CEEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000633689054 368369212 /nfs/dbraw/zinc/36/92/12/368369212.db2.gz ZOINXNOJEVOILW-AWEZNQCLSA-N 0 3 262.397 2.476 20 30 CEEDHN CCC[C@H]1CN(CC#N)CCN1Cc1ccccc1 ZINC000180270332 368374950 /nfs/dbraw/zinc/37/49/50/368374950.db2.gz KZILIEBTIGMBOO-INIZCTEOSA-N 0 3 257.381 2.496 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)CCCn1ccnc1 ZINC000181075005 368419174 /nfs/dbraw/zinc/41/91/74/368419174.db2.gz JCCUMRWVEDFMNB-UHFFFAOYSA-N 0 3 284.363 2.285 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)C1CCN(C)CC1 ZINC000633965144 368475785 /nfs/dbraw/zinc/47/57/85/368475785.db2.gz ZURVTSLDXQEPMQ-UHFFFAOYSA-N 0 3 252.402 2.437 20 30 CEEDHN CCOC(=O)C[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC000182637378 368573258 /nfs/dbraw/zinc/57/32/58/368573258.db2.gz AQOKMEWYATZOFD-GFCCVEGCSA-N 0 3 260.337 2.332 20 30 CEEDHN CCOC(=O)N1CC[C@@H](N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000185034246 368737733 /nfs/dbraw/zinc/73/77/33/368737733.db2.gz BQYQIQOURYKMQX-IUODEOHRSA-N 0 3 287.363 2.440 20 30 CEEDHN CC1=CCN(CCNCc2ccc(C#N)cc2F)CC1 ZINC000358175949 370936819 /nfs/dbraw/zinc/93/68/19/370936819.db2.gz VQERXSYXLNYHJW-UHFFFAOYSA-N 0 3 273.355 2.439 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCCN([C@@H](C)CO)CC1 ZINC000346675786 368763973 /nfs/dbraw/zinc/76/39/73/368763973.db2.gz JJQQAYWKGDXVGI-LSDHHAIUSA-N 0 3 287.407 2.008 20 30 CEEDHN CC#CCCCC(=O)NCCN(C)Cc1ccccc1 ZINC000185253788 368776552 /nfs/dbraw/zinc/77/65/52/368776552.db2.gz BVWIUGCTBRYFSQ-UHFFFAOYSA-N 0 3 272.392 2.428 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H](C)[C@H]1CCCOC1 ZINC000348134350 368913759 /nfs/dbraw/zinc/91/37/59/368913759.db2.gz HEKSMAIKIZCPQH-DOMZBBRYSA-N 0 3 274.364 2.472 20 30 CEEDHN C=C(C)[C@@H](NC(=O)NCCN(C)C)c1ccc(F)c(F)c1 ZINC000185842280 368871487 /nfs/dbraw/zinc/87/14/87/368871487.db2.gz WTGHCHZYJXHTQO-CQSZACIVSA-N 0 3 297.349 2.443 20 30 CEEDHN C=CCC[C@H](O)CN[C@H](CC)c1c(C)nn(C)c1C ZINC000348054176 368876572 /nfs/dbraw/zinc/87/65/72/368876572.db2.gz VLJNWKLYOCGWQN-UONOGXRCSA-N 0 3 265.401 2.405 20 30 CEEDHN CN(C)c1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)n1 ZINC000185869639 368877226 /nfs/dbraw/zinc/87/72/26/368877226.db2.gz UEDPQSBSWLFIIU-CHWSQXEVSA-N 0 3 258.369 2.320 20 30 CEEDHN C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000185940873 368890872 /nfs/dbraw/zinc/89/08/72/368890872.db2.gz MZUCFOXNPHBWHU-WBMJQRKESA-N 0 3 296.374 2.308 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)Nc1cccc(C#N)c1 ZINC000185983230 368898736 /nfs/dbraw/zinc/89/87/36/368898736.db2.gz ITKJPURVAYCCCF-UHFFFAOYSA-N 0 3 272.352 2.116 20 30 CEEDHN N#Cc1ccc(CNCC[C@@H](O)C(F)(F)F)c(F)c1 ZINC000349323762 369299473 /nfs/dbraw/zinc/29/94/73/369299473.db2.gz BBOXIXVHLNVWJR-LLVKDONJSA-N 0 3 276.233 2.100 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2N2CCOCC2)C1 ZINC000349822444 369411856 /nfs/dbraw/zinc/41/18/56/369411856.db2.gz PMHJMSIVAFMZFO-GOEBONIOSA-N 0 3 285.391 2.305 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2ccc(N3CCCC3)nc2)C1 ZINC000349827852 369412964 /nfs/dbraw/zinc/41/29/64/369412964.db2.gz KHMBHHDKGDDXQO-ZFWWWQNUSA-N 0 3 270.380 2.464 20 30 CEEDHN C=CCCN(C)Cc1c(C)nn(CCC(=O)OC)c1C ZINC000276194844 193239286 /nfs/dbraw/zinc/23/92/86/193239286.db2.gz XOTGUDAMSVKTEQ-UHFFFAOYSA-N 0 3 279.384 2.071 20 30 CEEDHN CC[C@@]1(CO)CCCN1Cc1ccc(C#N)cc1OC ZINC000189671278 369557724 /nfs/dbraw/zinc/55/77/24/369557724.db2.gz FXXFTLKECOJNKF-INIZCTEOSA-N 0 3 274.364 2.304 20 30 CEEDHN COCc1ccccc1CNCc1cc(C#N)n(C)c1 ZINC000189587976 369543956 /nfs/dbraw/zinc/54/39/56/369543956.db2.gz HOBLSUHRAPLQEW-UHFFFAOYSA-N 0 3 269.348 2.333 20 30 CEEDHN C=CCCN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000276353395 193297404 /nfs/dbraw/zinc/29/74/04/193297404.db2.gz DPBPVAVZTXVAFQ-CYBMUJFWSA-N 0 3 250.298 2.136 20 30 CEEDHN C=CCN1CCC(Nc2ncnc(Cl)c2NC)CC1 ZINC000190291044 369611688 /nfs/dbraw/zinc/61/16/88/369611688.db2.gz RXXOVHJCRKXHNF-UHFFFAOYSA-N 0 3 281.791 2.234 20 30 CEEDHN Cn1cc(CNCc2ccc3c(c2)OCCCO3)cc1C#N ZINC000190941479 369663428 /nfs/dbraw/zinc/66/34/28/369663428.db2.gz HVZSTFSNSAJALX-UHFFFAOYSA-N 0 3 297.358 2.348 20 30 CEEDHN C=CCN(CCOC)C[C@H](O)COc1ccc(Cl)cc1 ZINC000191133857 369682647 /nfs/dbraw/zinc/68/26/47/369682647.db2.gz AKPLGHPDVAATTJ-AWEZNQCLSA-N 0 3 299.798 2.214 20 30 CEEDHN Cn1cc(CNCCOCc2ccccc2)cc1C#N ZINC000191268919 369696908 /nfs/dbraw/zinc/69/69/08/369696908.db2.gz ZOGUEHHNMOZUHB-UHFFFAOYSA-N 0 3 269.348 2.203 20 30 CEEDHN CN(C)c1ncccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000192666508 369839907 /nfs/dbraw/zinc/83/99/07/369839907.db2.gz JLDQXEBCVKHBTD-JSGCOSHPSA-N 0 3 258.369 2.320 20 30 CEEDHN C=C(CC)CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352671591 369828099 /nfs/dbraw/zinc/82/80/99/369828099.db2.gz ODOCFDHARPZFQS-MNOVXSKESA-N 0 3 251.292 2.445 20 30 CEEDHN C[C@H]1C[C@H](CN2CCN(c3ccccc3C#N)CC2)CCO1 ZINC000352700512 369844130 /nfs/dbraw/zinc/84/41/30/369844130.db2.gz QPYQQRIXSPCGPK-JKSUJKDBSA-N 0 3 299.418 2.495 20 30 CEEDHN C=CC(C)(C)CCNC(=O)NCC1=CCN(C)CC1 ZINC000637321420 369899228 /nfs/dbraw/zinc/89/92/28/369899228.db2.gz HTYFZBSCWOIRLL-UHFFFAOYSA-N 0 3 265.401 2.150 20 30 CEEDHN COc1cc(CN[C@@H]2CSC[C@H]2C)ccc1C#N ZINC000353018691 369984030 /nfs/dbraw/zinc/98/40/30/369984030.db2.gz NHEZDNHBSCCNKD-ZWNOBZJWSA-N 0 3 262.378 2.408 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)CCc1ccc(F)cc1F ZINC000353655517 370121130 /nfs/dbraw/zinc/12/11/30/370121130.db2.gz PKQWOGPRKRNWTL-LLVKDONJSA-N 0 3 282.334 2.178 20 30 CEEDHN C[C@H](O)C1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000217832455 370200953 /nfs/dbraw/zinc/20/09/53/370200953.db2.gz YLBZSCAVZFIKHX-AWEZNQCLSA-N 0 3 288.391 2.420 20 30 CEEDHN COC[C@H]1CCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000234714241 370540295 /nfs/dbraw/zinc/54/02/95/370540295.db2.gz MPHWLNBETSFFJF-ZDUSSCGKSA-N 0 3 260.337 2.035 20 30 CEEDHN CC#CCCNC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000355189376 370542178 /nfs/dbraw/zinc/54/21/78/370542178.db2.gz UWGKWGVLDPILRK-ZIAGYGMSSA-N 0 3 291.395 2.421 20 30 CEEDHN COC[C@@H]1CCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000234838493 370545820 /nfs/dbraw/zinc/54/58/20/370545820.db2.gz MPHWLNBETSFFJF-CYBMUJFWSA-N 0 3 260.337 2.035 20 30 CEEDHN COc1cc(CN[C@]2(C)CCO[C@H]2C)ccc1C#N ZINC000234958674 370552373 /nfs/dbraw/zinc/55/23/73/370552373.db2.gz HOFKVEGLAVFTEF-XHDPSFHLSA-N 0 3 260.337 2.224 20 30 CEEDHN COc1cc(CN2CCN3CCCC[C@@H]3C2)ccc1C#N ZINC000235000225 370553938 /nfs/dbraw/zinc/55/39/38/370553938.db2.gz QIIJQMDDGREKEG-MRXNPFEDSA-N 0 3 285.391 2.237 20 30 CEEDHN CCn1cc(CN(CCO)CC(C)(C)CCC#N)cn1 ZINC000355553550 370597931 /nfs/dbraw/zinc/59/79/31/370597931.db2.gz VZVPXVPJDXLSKM-UHFFFAOYSA-N 0 3 278.400 2.027 20 30 CEEDHN C=CCCC1(C(=O)N2CCN(C)CC[C@@H]2C)CC1 ZINC000356089151 370622398 /nfs/dbraw/zinc/62/23/98/370622398.db2.gz FMHLLTLYBQANQI-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN N#CCC[C@H](C#N)CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246824476 371016362 /nfs/dbraw/zinc/01/63/62/371016362.db2.gz NWRFMOJZAQQRIN-VYDXJSESSA-N 0 3 286.423 2.379 20 30 CEEDHN CCN1CC[C@@H](N(C)C(=O)c2sccc2C#N)[C@@H](C)C1 ZINC000247423040 371106722 /nfs/dbraw/zinc/10/67/22/371106722.db2.gz OCHJCAFOIYHFPO-WCQYABFASA-N 0 3 291.420 2.422 20 30 CEEDHN CCOC[C@H](O)CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000247476638 371113463 /nfs/dbraw/zinc/11/34/63/371113463.db2.gz SFQGZBGLCLNSBR-CZUORRHYSA-N 0 3 276.380 2.339 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCO1)C(C)C ZINC000358553343 371114775 /nfs/dbraw/zinc/11/47/75/371114775.db2.gz BQXMMRKYRIJBBR-CQSZACIVSA-N 0 3 281.400 2.032 20 30 CEEDHN C[C@@H](NCCCC(=O)N(C)C)c1ccc(C#N)cc1F ZINC000358565507 371119217 /nfs/dbraw/zinc/11/92/17/371119217.db2.gz ZPNOREOGYFWQRW-LLVKDONJSA-N 0 3 277.343 2.216 20 30 CEEDHN C[C@@H](NC1CCC(C(N)=O)CC1)c1ccc(C#N)cc1F ZINC000358576732 371125247 /nfs/dbraw/zinc/12/52/47/371125247.db2.gz UROMKGMONUHQRR-QFWMXSHPSA-N 0 3 289.354 2.392 20 30 CEEDHN C=CCn1cc(CNC[C@H]2CCc3ccccc3C2)nn1 ZINC000639273364 371173874 /nfs/dbraw/zinc/17/38/74/371173874.db2.gz BNQKWXTVUHEAPK-AWEZNQCLSA-N 0 3 282.391 2.359 20 30 CEEDHN C=CCC[C@H](O)CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000248674613 371233934 /nfs/dbraw/zinc/23/39/34/371233934.db2.gz CIHNQLOSZNCYAB-RDJZCZTQSA-N 0 3 273.376 2.445 20 30 CEEDHN C[C@H](CNCc1cnc2ccc(C#N)cn12)C(F)(F)F ZINC000359108411 371340893 /nfs/dbraw/zinc/34/08/93/371340893.db2.gz QLHQEQOBPCEBQQ-SECBINFHSA-N 0 3 282.269 2.494 20 30 CEEDHN CO[C@@H]1CN(CCOc2cccc(C#N)c2)CC[C@H]1C ZINC000251920563 371424208 /nfs/dbraw/zinc/42/42/08/371424208.db2.gz SJNBQNJWPHTHBG-CZUORRHYSA-N 0 3 274.364 2.294 20 30 CEEDHN N#Cc1ccc([C@H](NCCC2CCCC2)C(N)=O)cc1 ZINC000360059732 371501459 /nfs/dbraw/zinc/50/14/59/371501459.db2.gz IRUSOPHMMVDFPA-HNNXBMFYSA-N 0 3 271.364 2.255 20 30 CEEDHN OCC1([C@@H](NCC#Cc2ccccc2)[C@@H]2CCCO2)CCC1 ZINC000639765249 371553038 /nfs/dbraw/zinc/55/30/38/371553038.db2.gz HJUGQIVCYPANHZ-ROUUACIJSA-N 0 3 299.414 2.338 20 30 CEEDHN C=CCCCCN[C@H](c1nccn1C)C(C)(C)CO ZINC000639774177 371559418 /nfs/dbraw/zinc/55/94/18/371559418.db2.gz ZJOXBKDAOPZCRH-CYBMUJFWSA-N 0 3 265.401 2.426 20 30 CEEDHN CNC(=O)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000361466275 371861333 /nfs/dbraw/zinc/86/13/33/371861333.db2.gz PBIZGDWHYJWGGW-ZFWWWQNUSA-N 0 3 271.364 2.218 20 30 CEEDHN CCOC(=O)CC(C)(C)N(C)Cc1cc(C#N)n(C)c1 ZINC000361543760 371909433 /nfs/dbraw/zinc/90/94/33/371909433.db2.gz PSEGPBDZYWTYER-UHFFFAOYSA-N 0 3 277.368 2.060 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N(C1CC1)C1CCN(CC)CC1 ZINC000361614719 371977912 /nfs/dbraw/zinc/97/79/12/371977912.db2.gz FHRWRMVJTYOUNZ-CQSZACIVSA-N 0 3 294.439 2.443 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCSC2)CC1 ZINC000361775933 372066608 /nfs/dbraw/zinc/06/66/08/372066608.db2.gz YMPKOVVNVVIHKQ-CQSZACIVSA-N 0 3 297.468 2.222 20 30 CEEDHN CC[C@@H](C)CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000268046149 372087690 /nfs/dbraw/zinc/08/76/90/372087690.db2.gz WUUVRDNWIKABTL-CYBMUJFWSA-N 0 3 258.369 2.121 20 30 CEEDHN N#Cc1ccc(CN(CCO)C2CCCC2)cc1F ZINC000361835046 372090731 /nfs/dbraw/zinc/09/07/31/372090731.db2.gz YMKHLQWGQADPDS-UHFFFAOYSA-N 0 3 262.328 2.434 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)n1cc([C@H](N)CCC)nn1 ZINC000640923045 372178712 /nfs/dbraw/zinc/17/87/12/372178712.db2.gz CNRRYIGKHVRVEF-CHWSQXEVSA-N 0 3 293.415 2.064 20 30 CEEDHN CCC[C@](C)(CO)NCc1ccc(C#N)cc1F ZINC000344315297 217146711 /nfs/dbraw/zinc/14/67/11/217146711.db2.gz IDWQKNXHVKOPMV-CQSZACIVSA-N 0 3 250.317 2.338 20 30 CEEDHN COCC[C@H](Cc1ccco1)NCc1ccc(C#N)o1 ZINC000344326749 217151928 /nfs/dbraw/zinc/15/19/28/217151928.db2.gz NSLQWEPYLVDBHJ-GFCCVEGCSA-N 0 3 274.320 2.482 20 30 CEEDHN CO[C@@H](CNCc1ccc(C#N)cc1F)C(C)C ZINC000269427527 372446811 /nfs/dbraw/zinc/44/68/11/372446811.db2.gz OAURPEFMFRZFSW-AWEZNQCLSA-N 0 3 250.317 2.458 20 30 CEEDHN COc1ccc(CN2CCCC[C@H]2[C@@H](C)O)cc1C#N ZINC000269719413 372545058 /nfs/dbraw/zinc/54/50/58/372545058.db2.gz TYQUHWKAKDENFW-DOMZBBRYSA-N 0 3 274.364 2.302 20 30 CEEDHN CC#CC[C@H](CO)NCc1cc(F)cc2cccnc21 ZINC000641767743 372707600 /nfs/dbraw/zinc/70/76/00/372707600.db2.gz QBJCZNFBHRYZOH-OAHLLOKOSA-N 0 3 272.323 2.238 20 30 CEEDHN C=C(Cl)CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000270339516 372746086 /nfs/dbraw/zinc/74/60/86/372746086.db2.gz KVCNGMODHTUHRK-KBPBESRZSA-N 0 3 293.798 2.484 20 30 CEEDHN N#CCSCCCN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000364803201 372794496 /nfs/dbraw/zinc/79/44/96/372794496.db2.gz QZIPELZECCKVSX-CYBMUJFWSA-N 0 3 287.392 2.131 20 30 CEEDHN Cn1cc(CN2CC[C@@H](Cc3ccncc3)C2)cc1C#N ZINC000365273472 372817785 /nfs/dbraw/zinc/81/77/85/372817785.db2.gz ZKCKFKFBTPKZCU-HNNXBMFYSA-N 0 3 280.375 2.356 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C2CCC1CC2 ZINC000642525589 372844464 /nfs/dbraw/zinc/84/44/64/372844464.db2.gz WCHDWFINQPFOHL-HSBZDZAISA-N 0 3 250.386 2.426 20 30 CEEDHN CS[C@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1N(C)C ZINC000270656580 372886630 /nfs/dbraw/zinc/88/66/30/372886630.db2.gz NFLAOTABPUIJIR-GJZGRUSLSA-N 0 3 275.421 2.036 20 30 CEEDHN Cn1cc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)cc1C#N ZINC000289867502 197510916 /nfs/dbraw/zinc/51/09/16/197510916.db2.gz OVIAUUCPTRJYGJ-ZWKOTPCHSA-N 0 3 295.386 2.153 20 30 CEEDHN CCC1(CO)CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000270928539 373019564 /nfs/dbraw/zinc/01/95/64/373019564.db2.gz TUXAZIYVKAQNBY-UHFFFAOYSA-N 0 3 288.391 2.422 20 30 CEEDHN C#CCCCN1CCN(CCc2cccs2)CC1 ZINC000271037352 373084228 /nfs/dbraw/zinc/08/42/28/373084228.db2.gz MCKGHZJUWPEVMI-UHFFFAOYSA-N 0 3 262.422 2.322 20 30 CEEDHN CC(C)[C@@](C)(O)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000367067814 373135515 /nfs/dbraw/zinc/13/55/15/373135515.db2.gz TVYSEAQRYDFDJY-INIZCTEOSA-N 0 3 287.407 2.346 20 30 CEEDHN C#Cc1cccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000272236073 373375741 /nfs/dbraw/zinc/37/57/41/373375741.db2.gz FNKIPQVZSVWDKI-HOCLYGCPSA-N 0 3 283.375 2.226 20 30 CEEDHN COc1cc(CN2CC[C@@H]([C@@H]3CCOC3)C2)ccc1C#N ZINC000369112493 373335063 /nfs/dbraw/zinc/33/50/63/373335063.db2.gz LZDKCUHLLOPIPJ-HZPDHXFCSA-N 0 3 286.375 2.425 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)[C@@H]1CNCCC1(F)F ZINC000644008412 373336726 /nfs/dbraw/zinc/33/67/26/373336726.db2.gz VOBGXCOFGCTWPO-AWEZNQCLSA-N 0 3 294.345 2.446 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CCCN(CC(C)C)CC1 ZINC000369163438 373348507 /nfs/dbraw/zinc/34/85/07/373348507.db2.gz JIMAONZJZMRPRF-UHFFFAOYSA-N 0 3 289.379 2.264 20 30 CEEDHN N#Cc1cccc(CN2CCCC[C@H]2Cn2ccnn2)c1 ZINC000369378917 373399732 /nfs/dbraw/zinc/39/97/32/373399732.db2.gz JBUFNNRAZBECMR-INIZCTEOSA-N 0 3 281.363 2.204 20 30 CEEDHN C=CCOc1ccc(CNC2COCCOC2)cc1Cl ZINC000644422505 373489253 /nfs/dbraw/zinc/48/92/53/373489253.db2.gz XRPTWKUFSCBZFJ-UHFFFAOYSA-N 0 3 297.782 2.410 20 30 CEEDHN C=CCOCCNC[C@@H](O)COc1c(C)ccc(C)c1C ZINC000644617999 373563363 /nfs/dbraw/zinc/56/33/63/373563363.db2.gz SMHXRSMXRHXCQF-MRXNPFEDSA-N 0 3 293.407 2.144 20 30 CEEDHN C=C(C)[C@H](CO)N[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000644785830 373684456 /nfs/dbraw/zinc/68/44/56/373684456.db2.gz ZVPMUCZYXZQIPS-JKOKRWQUSA-N 0 3 267.394 2.277 20 30 CEEDHN C=CCS(=O)(=O)CCNC1CC(c2ccc(F)cc2)C1 ZINC000272911819 373706615 /nfs/dbraw/zinc/70/66/15/373706615.db2.gz HXGAHENMSSBPPP-UHFFFAOYSA-N 0 3 297.395 2.262 20 30 CEEDHN C[C@@H](C#N)N(C)CC1CCN(c2ccncc2)CC1 ZINC000371687823 373950319 /nfs/dbraw/zinc/95/03/19/373950319.db2.gz APSDQRXRQSKNTE-ZDUSSCGKSA-N 0 3 258.369 2.142 20 30 CEEDHN N#Cc1ccc(CNC[C@@H]2CC(=O)Nc3ccccc32)o1 ZINC000372706695 374181766 /nfs/dbraw/zinc/18/17/66/374181766.db2.gz ZQOYSGNEPMJFTL-NSHDSACASA-N 0 3 281.315 2.367 20 30 CEEDHN C[C@H](NC[C@@H]1CN(C2CC2)CCO1)c1cccc(C#N)c1 ZINC000373174793 374284912 /nfs/dbraw/zinc/28/49/12/374284912.db2.gz AMJBNJIYTFVUEE-SUMWQHHRSA-N 0 3 285.391 2.072 20 30 CEEDHN N#Cc1ccc(OCCN2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000277000912 374374824 /nfs/dbraw/zinc/37/48/24/374374824.db2.gz WJPFTPPMMFKFCQ-UHFFFAOYSA-N 0 3 295.342 2.096 20 30 CEEDHN C#CCN(C)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000277023982 374381285 /nfs/dbraw/zinc/38/12/85/374381285.db2.gz RJQOOMJTIIVASC-DOTOQJQBSA-N 0 3 273.376 2.007 20 30 CEEDHN Cc1ccc(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)cc1C#N ZINC000374204035 374510431 /nfs/dbraw/zinc/51/04/31/374510431.db2.gz GWSIBOGQKZPHPX-CJNGLKHVSA-N 0 3 283.375 2.033 20 30 CEEDHN C#CCCN(C)[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000374909077 374635181 /nfs/dbraw/zinc/63/51/81/374635181.db2.gz GCIFJYYYBLUALK-SJLPKXTDSA-N 0 3 286.419 2.231 20 30 CEEDHN N#Cc1csc(CN2CCC[C@H](CO)CC2)c1 ZINC000334235376 206232157 /nfs/dbraw/zinc/23/21/57/206232157.db2.gz GZJJVHARDXRNNL-NSHDSACASA-N 0 3 250.367 2.214 20 30 CEEDHN C[C@]1(NCC(=O)Nc2cccc(C#N)c2)CCO[C@H]1C1CC1 ZINC000376863448 374746276 /nfs/dbraw/zinc/74/62/76/374746276.db2.gz CUWLZKHJPBBSPU-IRXDYDNUSA-N 0 3 299.374 2.044 20 30 CEEDHN C=CCc1cc(CN2C[C@@H](O)C(C)(C)C2)cc(OC)c1O ZINC000280553988 375242898 /nfs/dbraw/zinc/24/28/98/375242898.db2.gz UHPXCWCKDJPRTL-OAHLLOKOSA-N 0 3 291.391 2.332 20 30 CEEDHN CC[C@@H]1[C@H](CO)CCN1Cc1cn2ccccc2c1C#N ZINC000385796498 375244456 /nfs/dbraw/zinc/24/44/56/375244456.db2.gz OHFHIILDLVQVFF-XJKSGUPXSA-N 0 3 283.375 2.404 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(OC)c1[O-] ZINC000280580041 375250046 /nfs/dbraw/zinc/25/00/46/375250046.db2.gz HLDRADQQXYWGNF-BBRMVZONSA-N 0 3 277.364 2.472 20 30 CEEDHN C=CC[C@H](CO)NCc1ccnn1-c1ccc(F)cc1 ZINC000684396225 541993656 /nfs/dbraw/zinc/99/36/56/541993656.db2.gz XOEYFJQVJDEYQS-CYBMUJFWSA-N 0 3 275.327 2.038 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000280488306 375218335 /nfs/dbraw/zinc/21/83/35/375218335.db2.gz BHSWWLAEPUQELP-NWDGAFQWSA-N 0 3 289.379 2.310 20 30 CEEDHN CC1=C(C)CN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000280505418 375223495 /nfs/dbraw/zinc/22/34/95/375223495.db2.gz CLVOGZLCNHPUQH-INIZCTEOSA-N 0 3 286.375 2.340 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(C(=O)OC)c(C)o1 ZINC000280826727 375334334 /nfs/dbraw/zinc/33/43/34/375334334.db2.gz WFFQGWLUZSGNNI-DOMZBBRYSA-N 0 3 293.363 2.445 20 30 CEEDHN N#CCc1ccc(CN2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000399216457 375361299 /nfs/dbraw/zinc/36/12/99/375361299.db2.gz IYYNUUPCZNAVJC-GOSISDBHSA-N 0 3 299.418 2.049 20 30 CEEDHN CNC(=O)[C@]1(C)CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000281294139 375369203 /nfs/dbraw/zinc/36/92/03/375369203.db2.gz WUVMIZDLNWPNKD-MRXNPFEDSA-N 0 3 290.794 2.150 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCCO[C@@H](CC)C1 ZINC000281427008 375377967 /nfs/dbraw/zinc/37/79/67/375377967.db2.gz PCENMVZSZBKICU-GJZGRUSLSA-N 0 3 280.412 2.076 20 30 CEEDHN COc1cc(CN(C)C[C@H]2CCC[C@H]2O)ccc1C#N ZINC000282427122 375481410 /nfs/dbraw/zinc/48/14/10/375481410.db2.gz SXKZBJSIOQNJKA-HUUCEWRRSA-N 0 3 274.364 2.160 20 30 CEEDHN Cn1cc(CN2CCC[C@H]2[C@@H]2CCCO2)cc1C#N ZINC000285039099 375832566 /nfs/dbraw/zinc/83/25/66/375832566.db2.gz KTFULPMQAHQTOE-GJZGRUSLSA-N 0 3 259.353 2.040 20 30 CEEDHN C=CC[C@H](CO)CNCc1cccc2c1OC(F)(F)O2 ZINC000414365350 375834923 /nfs/dbraw/zinc/83/49/23/375834923.db2.gz KXVUQCDOTQUYQW-JTQLQIEISA-N 0 3 285.290 2.282 20 30 CEEDHN CCCN(CCN1CCCCC1)c1nc(C)cc(C#N)n1 ZINC000286277314 375895802 /nfs/dbraw/zinc/89/58/02/375895802.db2.gz GOFIWKUDBHYZDR-UHFFFAOYSA-N 0 3 287.411 2.359 20 30 CEEDHN N#CCCOCCN1CCSC[C@@H]1C1CCC1 ZINC000419370392 376445901 /nfs/dbraw/zinc/44/59/01/376445901.db2.gz GYRYXARNLCRJCO-CYBMUJFWSA-N 0 3 254.399 2.134 20 30 CEEDHN CN(C)CCN(Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000289687883 376448413 /nfs/dbraw/zinc/44/84/13/376448413.db2.gz FISPBSBJSLJZQV-UHFFFAOYSA-N 0 3 296.418 2.461 20 30 CEEDHN CN(C)CCN(C(=O)NCC1(C#N)CCC1)C1CCCC1 ZINC000419633227 376488153 /nfs/dbraw/zinc/48/81/53/376488153.db2.gz YFBVXLHWLPSAPK-UHFFFAOYSA-N 0 3 292.427 2.196 20 30 CEEDHN CN(C)[C@H](CNc1nccnc1C#N)c1cccs1 ZINC000263912238 190084671 /nfs/dbraw/zinc/08/46/71/190084671.db2.gz SGJWOTNJHYPCGG-LLVKDONJSA-N 0 3 273.365 2.125 20 30 CEEDHN CCCN(CCn1cncn1)Cc1ccc(C#N)cc1 ZINC000264146291 190092875 /nfs/dbraw/zinc/09/28/75/190092875.db2.gz VIDYNUPXKYRXHG-UHFFFAOYSA-N 0 3 269.352 2.062 20 30 CEEDHN COCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264164185 190093272 /nfs/dbraw/zinc/09/32/72/190093272.db2.gz WVRIUIWPJLXRNV-UHFFFAOYSA-N 0 3 260.337 2.048 20 30 CEEDHN Cc1nc2n(n1)C[C@H](N[C@@H]1CCc3ccc(C#N)cc31)CC2 ZINC000557535278 376564216 /nfs/dbraw/zinc/56/42/16/376564216.db2.gz AUZCCNLAFKDOGT-GDBMZVCRSA-N 0 3 293.374 2.050 20 30 CEEDHN CC1(C)[C@H](NCc2ccc(C#N)cn2)[C@H]2CCCO[C@@H]21 ZINC000558235762 376598030 /nfs/dbraw/zinc/59/80/30/376598030.db2.gz NMQFDELBNDUUBN-KFWWJZLASA-N 0 3 271.364 2.246 20 30 CEEDHN C[C@H](C(=O)N1CC[C@@]2(CCN(C)C2)C1)c1cccc(C#N)c1 ZINC000334334941 206387181 /nfs/dbraw/zinc/38/71/81/206387181.db2.gz YXRAZWUTSVQQAJ-KBXCAEBGSA-N 0 3 297.402 2.216 20 30 CEEDHN C#CCOc1ccccc1CN(C)CCCCCO ZINC000264447018 190110012 /nfs/dbraw/zinc/11/00/12/190110012.db2.gz RXKINNZFHHOKAX-UHFFFAOYSA-N 0 3 261.365 2.293 20 30 CEEDHN C[C@H](CNc1cncc(C#N)n1)N1CCCC[C@H]1C ZINC000420583521 376689033 /nfs/dbraw/zinc/68/90/33/376689033.db2.gz JEIFWILCZJYVRF-VXGBXAGGSA-N 0 3 259.357 2.023 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC[C@H](C2CCCC2)C1 ZINC000420966934 376750942 /nfs/dbraw/zinc/75/09/42/376750942.db2.gz WOYMXDAQBKNKPY-HNNXBMFYSA-N 0 3 277.412 2.261 20 30 CEEDHN C=CCc1cc(CN2C[C@@H](O)CC[C@H]2C)cc(OC)c1O ZINC000421380358 376801848 /nfs/dbraw/zinc/80/18/48/376801848.db2.gz VLJOUBPOIXWHAZ-DOMZBBRYSA-N 0 3 291.391 2.475 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cccc(OC)c1OC ZINC000320203311 376821345 /nfs/dbraw/zinc/82/13/45/376821345.db2.gz DBMSDIJANBVNOO-ZDUSSCGKSA-N 0 3 265.353 2.121 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H](O)C1CCCCC1 ZINC000328607275 376859009 /nfs/dbraw/zinc/85/90/09/376859009.db2.gz LBTODZDONJABMH-UGFHNGPFSA-N 0 3 280.412 2.367 20 30 CEEDHN CC(=O)Nc1ccn([C@H]2CCN(CC3=CCCOC3)C2)n1 ZINC000328646016 376868963 /nfs/dbraw/zinc/86/89/63/376868963.db2.gz ZXUBPOYQIVSHHR-AWEZNQCLSA-N 0 3 290.367 2.085 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000290681077 376878991 /nfs/dbraw/zinc/87/89/91/376878991.db2.gz SIFKKVPVUKHHCQ-GFCCVEGCSA-N 0 3 288.351 2.244 20 30 CEEDHN CN(C[C@@H](O)COc1ccc(C#N)cc1Cl)C1CC1 ZINC000290759979 376911364 /nfs/dbraw/zinc/91/13/64/376911364.db2.gz JWWQRRJTACGLCH-GFCCVEGCSA-N 0 3 280.755 2.046 20 30 CEEDHN O=C(N[C@@H]1C=C[C@H](CO)C1)[C@H]1CCCN1C1CCCC1 ZINC000328889532 376915512 /nfs/dbraw/zinc/91/55/12/376915512.db2.gz QXNBCILQVDETCQ-GZBFAFLISA-N 0 3 278.396 2.287 20 30 CEEDHN C[C@](O)(CC(=O)NC1CCN(C2CC2)CC1)C1CC1 ZINC000328883808 376916093 /nfs/dbraw/zinc/91/60/93/376916093.db2.gz YDSZQOVVMWCMPK-HNNXBMFYSA-N 0 3 266.385 2.121 20 30 CEEDHN CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000328954060 376927543 /nfs/dbraw/zinc/92/75/43/376927543.db2.gz OJQNDZBUCKPNAP-SWLSCSKDSA-N 0 3 290.411 2.486 20 30 CEEDHN CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000328954060 376927547 /nfs/dbraw/zinc/92/75/47/376927547.db2.gz OJQNDZBUCKPNAP-SWLSCSKDSA-N 0 3 290.411 2.486 20 30 CEEDHN CC(C)[C@H](CO)[C@@H](NC[C@@H](C#N)CCC#N)C(C)C ZINC000562554599 376932636 /nfs/dbraw/zinc/93/26/36/376932636.db2.gz OLODBSDEQMFABM-ILXRZTDVSA-N 0 3 265.401 2.309 20 30 CEEDHN C[C@H]1CCCCN1CCNc1ncc2c(c1C#N)CCC2 ZINC000563019212 377062564 /nfs/dbraw/zinc/06/25/64/377062564.db2.gz KCNIUIWQVAMSSX-ZDUSSCGKSA-N 0 3 284.407 2.150 20 30 CEEDHN C#CCN(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000292663400 377261995 /nfs/dbraw/zinc/26/19/95/377261995.db2.gz ZBMKUDVUGWHITM-UHFFFAOYSA-N 0 3 299.418 2.098 20 30 CEEDHN N#Cc1ccccc1CN1CC[C@H](O)C12CCCC2 ZINC000292855497 377315673 /nfs/dbraw/zinc/31/56/73/377315673.db2.gz VXQVUDANDIFKKS-HNNXBMFYSA-N 0 3 256.349 2.438 20 30 CEEDHN CC(=O)N[C@H](C)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000331096945 377279218 /nfs/dbraw/zinc/27/92/18/377279218.db2.gz AUWJSSWRTJOZOS-CYBMUJFWSA-N 0 3 285.391 2.295 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NCCCCN1CCN(CC)CC1 ZINC000424652224 377279557 /nfs/dbraw/zinc/27/95/57/377279557.db2.gz DZSURAOYXTUDQE-UHFFFAOYSA-N 0 3 295.471 2.123 20 30 CEEDHN COc1cc(CNC[C@@H](OC)C2CC2)ccc1C#N ZINC000292960661 377372118 /nfs/dbraw/zinc/37/21/18/377372118.db2.gz JKRASJZBKNDGDE-OAHLLOKOSA-N 0 3 260.337 2.081 20 30 CEEDHN C#CCOc1ccc(CNCCOCC2CC2)cc1 ZINC000264944767 190146763 /nfs/dbraw/zinc/14/67/63/190146763.db2.gz HUISGQHNVOAYJF-UHFFFAOYSA-N 0 3 259.349 2.215 20 30 CEEDHN CC(C)CCN(CCC#N)C(=O)CN1CC[C@@H](C)C1 ZINC000564466395 377396625 /nfs/dbraw/zinc/39/66/25/377396625.db2.gz NWPNRZTWFIOLQJ-CQSZACIVSA-N 0 3 265.401 2.117 20 30 CEEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ncncc2C#N)C1 ZINC000564892107 377491108 /nfs/dbraw/zinc/49/11/08/377491108.db2.gz GQYGPLDRKCHVMX-XJKSGUPXSA-N 0 3 293.374 2.018 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCCC2(CCCC2)C1 ZINC000331711328 377491049 /nfs/dbraw/zinc/49/10/49/377491049.db2.gz YPJGLLVSFCUCCY-ZDUSSCGKSA-N 0 3 293.411 2.043 20 30 CEEDHN CCCN(CCC)Cc1cnc2c(C#N)cnn2c1 ZINC000564989725 377522066 /nfs/dbraw/zinc/52/20/66/377522066.db2.gz YJUIMECZWBQONT-UHFFFAOYSA-N 0 3 257.341 2.223 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](CSC)C1 ZINC000429273012 377514926 /nfs/dbraw/zinc/51/49/26/377514926.db2.gz FJJHPVGQCAEINW-ZIAGYGMSSA-N 0 3 297.468 2.070 20 30 CEEDHN C[C@H]1C[C@@H]1N1CCN(Cc2ccc(C#N)o2)C[C@@H](C)C1 ZINC000430122904 377525979 /nfs/dbraw/zinc/52/59/79/377525979.db2.gz ISAKANPXUKAGII-WWGRRREGSA-N 0 3 273.380 2.313 20 30 CEEDHN Cc1ccc(C(=O)NCCNCc2cc(C#N)cs2)cc1 ZINC000093492518 249310961 /nfs/dbraw/zinc/31/09/61/249310961.db2.gz UKYPMHOMHMCRIA-UHFFFAOYSA-N 0 3 299.399 2.448 20 30 CEEDHN C[C@@H](NC[C@H](O)CN(C)CCC#N)c1cccc(Cl)c1 ZINC000565887697 377703033 /nfs/dbraw/zinc/70/30/33/377703033.db2.gz BIIUHRWIZKXERK-DOMZBBRYSA-N 0 3 295.814 2.197 20 30 CEEDHN N#CCCCN1CCC(CO)(c2ccccc2)CC1 ZINC000433061677 377780639 /nfs/dbraw/zinc/78/06/39/377780639.db2.gz QFAOHDCLLDGCGW-UHFFFAOYSA-N 0 3 258.365 2.316 20 30 CEEDHN C[C@@H](Cn1cccn1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433223088 377782520 /nfs/dbraw/zinc/78/25/20/377782520.db2.gz MELQMBKUXMIMIY-HOCLYGCPSA-N 0 3 296.374 2.160 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000432364261 377752817 /nfs/dbraw/zinc/75/28/17/377752817.db2.gz GRRCJHQZBQAYHD-OLZOCXBDSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CCC1(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)CCOCC1 ZINC000566453221 377760131 /nfs/dbraw/zinc/76/01/31/377760131.db2.gz VGBCCUHSASEZBJ-LSDHHAIUSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCCCCCNCc1c(C)n(C)nc1C(=O)OC ZINC000566487643 377762043 /nfs/dbraw/zinc/76/20/43/377762043.db2.gz ZJFJHHFLQXQBJT-UHFFFAOYSA-N 0 3 279.384 2.351 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)c1nccn1C ZINC000436296327 377821738 /nfs/dbraw/zinc/82/17/38/377821738.db2.gz RHAODVDLJUGBCA-MJBXVCDLSA-N 0 3 263.385 2.442 20 30 CEEDHN CC[C@H](CC#N)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000433373830 377791198 /nfs/dbraw/zinc/79/11/98/377791198.db2.gz HNNYXMZCNQMZGF-CABCVRRESA-N 0 3 273.380 2.488 20 30 CEEDHN C=C(CC)CN1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440508836 377930016 /nfs/dbraw/zinc/93/00/16/377930016.db2.gz UIRNRSFSNRLXER-INIZCTEOSA-N 0 3 282.428 2.348 20 30 CEEDHN CC(C)N(CC#Cc1ccccc1Cl)CCO ZINC000441152985 377934576 /nfs/dbraw/zinc/93/45/76/377934576.db2.gz YDGRLTXMSRZIIF-UHFFFAOYSA-N 0 3 251.757 2.394 20 30 CEEDHN CC(C)N(C)c1ccccc1CNC(=O)C(C)C#N ZINC000438467413 377901362 /nfs/dbraw/zinc/90/13/62/377901362.db2.gz SKOYPKBDNSBCTD-GFCCVEGCSA-N 0 3 259.353 2.307 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCc1cc(C)cc(C)c1 ZINC000294115345 377909594 /nfs/dbraw/zinc/90/95/94/377909594.db2.gz ZHMYUBMLCDKGQN-UHFFFAOYSA-N 0 3 286.419 2.307 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438974796 377914867 /nfs/dbraw/zinc/91/48/67/377914867.db2.gz PJPOTULEYAHWKR-FBKDDSFISA-N 0 3 258.321 2.215 20 30 CEEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)co1 ZINC000444453042 378076343 /nfs/dbraw/zinc/07/63/43/378076343.db2.gz FPDPCFHXRRUZFR-LBPRGKRZSA-N 0 3 255.277 2.485 20 30 CEEDHN CC1(C)C[C@@H](O)CCN(CCOc2cccc(C#N)c2)C1 ZINC000295297541 378092457 /nfs/dbraw/zinc/09/24/57/378092457.db2.gz HCUNSKFEVJEBLY-HNNXBMFYSA-N 0 3 288.391 2.420 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@]1(CCC)COC ZINC000447404911 378108564 /nfs/dbraw/zinc/10/85/64/378108564.db2.gz VMXBAIMMAXZZCH-QGZVFWFLSA-N 0 3 294.439 2.468 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cncc(Cl)c2C)CC1 ZINC000295499877 378184898 /nfs/dbraw/zinc/18/48/98/378184898.db2.gz VIBURJYQLPJWDA-UHFFFAOYSA-N 0 3 291.782 2.327 20 30 CEEDHN C=CCOc1cccc(CNC(COC)COC)c1 ZINC000449544975 378216236 /nfs/dbraw/zinc/21/62/36/378216236.db2.gz RVEKNHVFOOMESF-UHFFFAOYSA-N 0 3 265.353 2.002 20 30 CEEDHN CC1(C)C[C@H](O)CCN(CCOc2ccccc2C#N)C1 ZINC000295436087 378156196 /nfs/dbraw/zinc/15/61/96/378156196.db2.gz JPSIUQHHFVVYLC-OAHLLOKOSA-N 0 3 288.391 2.420 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccc2c(c1)sc(=O)n2C ZINC000449695791 378221439 /nfs/dbraw/zinc/22/14/39/378221439.db2.gz GIACHRHCQUBJSM-LBPRGKRZSA-N 0 3 292.404 2.017 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cnc([C@H]2CCCO2)s1 ZINC000449695196 378221683 /nfs/dbraw/zinc/22/16/83/378221683.db2.gz DKGOHHQCQGRDQD-WCQYABFASA-N 0 3 282.409 2.411 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)CC1 ZINC000266080602 190228784 /nfs/dbraw/zinc/22/87/84/190228784.db2.gz GURZEZYVMOEIFE-ROUUACIJSA-N 0 3 296.414 2.079 20 30 CEEDHN C#Cc1ccc(CNC(=O)CC2CCN(C)CC2)cc1 ZINC000295632791 378244961 /nfs/dbraw/zinc/24/49/61/378244961.db2.gz AHEUTXHHXTUNPI-UHFFFAOYSA-N 0 3 270.376 2.016 20 30 CEEDHN C=CCC1(C(=O)NCCN(C)CCCOC)CCCC1 ZINC000449946584 378250828 /nfs/dbraw/zinc/25/08/28/378250828.db2.gz YLCBBTBNDQAFAO-UHFFFAOYSA-N 0 3 282.428 2.207 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)[C@]2(C#N)CC23CCCC3)CCN1C ZINC000449983778 378260984 /nfs/dbraw/zinc/26/09/84/378260984.db2.gz DECBMLGEDAGNHW-CKEIUWERSA-N 0 3 289.423 2.402 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)CC1 ZINC000266080595 190229000 /nfs/dbraw/zinc/22/90/00/190229000.db2.gz GURZEZYVMOEIFE-MSOLQXFVSA-N 0 3 296.414 2.079 20 30 CEEDHN C#CCOc1ccc(CNC[C@H](O)c2ccc(C)o2)cc1 ZINC000266084966 190229459 /nfs/dbraw/zinc/22/94/59/190229459.db2.gz YPOFVNLAULPYLK-INIZCTEOSA-N 0 3 285.343 2.423 20 30 CEEDHN CC(C)(C)CN(CCC#N)C[C@H]1CCNC(=O)CC1 ZINC000450428124 378412108 /nfs/dbraw/zinc/41/21/08/378412108.db2.gz GYIGRUXWMSQNIT-CYBMUJFWSA-N 0 3 265.401 2.164 20 30 CEEDHN C=C(C)Cn1c(C)nnc1N1CCCN(C(C)C)CC1 ZINC000296015920 378391267 /nfs/dbraw/zinc/39/12/67/378391267.db2.gz OUTJVGLRXITMSI-UHFFFAOYSA-N 0 3 277.416 2.083 20 30 CEEDHN CC#CCN(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000296126468 378425777 /nfs/dbraw/zinc/42/57/77/378425777.db2.gz CGVKSTGGRNJSKS-UHFFFAOYSA-N 0 3 259.353 2.235 20 30 CEEDHN Cc1nccn1C[C@H]1CCCN1CC1(C#N)CCC1 ZINC000450467689 378434137 /nfs/dbraw/zinc/43/41/37/378434137.db2.gz DTRMUCBZOGZGIV-CQSZACIVSA-N 0 3 258.369 2.350 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000296324798 378491979 /nfs/dbraw/zinc/49/19/79/378491979.db2.gz QKRSPMAMSRJMSC-IMJJTQAJSA-N 0 3 286.375 2.470 20 30 CEEDHN C[C@H](NC(=O)[C@]1(C#N)C[C@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000450701113 378537473 /nfs/dbraw/zinc/53/74/73/378537473.db2.gz VUMNYJVETDMEFH-RMRKRWHISA-N 0 3 285.391 2.344 20 30 CEEDHN C[C@H]1CCCN(CCNc2ncc(C#N)cc2[N+](=O)[O-])C1 ZINC000296664179 378609795 /nfs/dbraw/zinc/60/97/95/378609795.db2.gz YRUXNQALCWPHKF-NSHDSACASA-N 0 3 289.339 2.005 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000296665836 378611479 /nfs/dbraw/zinc/61/14/79/378611479.db2.gz AGWSMONNIWTLQB-QAQDUYKDSA-N 0 3 299.418 2.187 20 30 CEEDHN CC#CCN(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000296709749 378625618 /nfs/dbraw/zinc/62/56/18/378625618.db2.gz ZUDTUSJQQVSSPK-UHFFFAOYSA-N 0 3 299.418 2.316 20 30 CEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](CC)N(C)C ZINC000298490100 378744147 /nfs/dbraw/zinc/74/41/47/378744147.db2.gz AHGWIYMUWSKUFS-HNNXBMFYSA-N 0 3 276.355 2.128 20 30 CEEDHN C[C@H](CNC(=O)c1ccc(C#N)cc1)N1CCC[C@H](C)C1 ZINC000298514806 378752347 /nfs/dbraw/zinc/75/23/47/378752347.db2.gz WNMYJYDCQKQKDD-UONOGXRCSA-N 0 3 285.391 2.408 20 30 CEEDHN CC[C@H]1CCCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000298449935 378731282 /nfs/dbraw/zinc/73/12/82/378731282.db2.gz GXZQUMHOBSIOHR-INIZCTEOSA-N 0 3 285.391 2.439 20 30 CEEDHN COCCN1CCC(Nc2ccc(C#N)cc2)CC1 ZINC000299230858 378936953 /nfs/dbraw/zinc/93/69/53/378936953.db2.gz GJLJVYQJXXVVNL-UHFFFAOYSA-N 0 3 259.353 2.081 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC(n2c(C)ccc2C)CC1 ZINC000299506778 379024771 /nfs/dbraw/zinc/02/47/71/379024771.db2.gz IVNQAQXFCRTEQY-HNNXBMFYSA-N 0 3 289.423 2.433 20 30 CEEDHN CC[C@@H](NCC1(C)OCCO1)c1ccc(C#N)cc1 ZINC000278691131 194104171 /nfs/dbraw/zinc/10/41/71/194104171.db2.gz KLXBYXXZBSJKEN-CQSZACIVSA-N 0 3 260.337 2.362 20 30 CEEDHN C[C@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C[C@H]1C ZINC000347577480 218280433 /nfs/dbraw/zinc/28/04/33/218280433.db2.gz GGXODOOFEQJUJX-UONOGXRCSA-N 0 3 285.391 2.152 20 30 CEEDHN N#CCC[C@H](C#N)CNc1cccc(CN2CC[C@H](O)C2)c1 ZINC000517269433 379356401 /nfs/dbraw/zinc/35/64/01/379356401.db2.gz OFUFAQXAHNEYIM-WBVHZDCISA-N 0 3 298.390 2.109 20 30 CEEDHN C#CCCN1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000266735658 190277966 /nfs/dbraw/zinc/27/79/66/190277966.db2.gz KTFNWRPTGGIZBV-UHFFFAOYSA-N 0 3 289.354 2.435 20 30 CEEDHN C[C@]1(CNCc2cnc3ccc(C#N)cn23)CCCC[C@H]1O ZINC000304647552 379588305 /nfs/dbraw/zinc/58/83/05/379588305.db2.gz PJIZRICTYPWDTG-NVXWUHKLSA-N 0 3 298.390 2.237 20 30 CEEDHN CCN1C[C@@H](C)N(CCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000347682626 218321009 /nfs/dbraw/zinc/32/10/09/218321009.db2.gz CRRYOOVPJXUEHD-HUUCEWRRSA-N 0 3 287.407 2.352 20 30 CEEDHN C=CCOc1ccc(CN2C[C@@H](O)C[C@@H]2C)cc1OC ZINC000471810824 380072968 /nfs/dbraw/zinc/07/29/68/380072968.db2.gz PLCDDBQMKBHWNI-JSGCOSHPSA-N 0 3 277.364 2.215 20 30 CEEDHN C[C@H]1CCN(C)CCN1c1ccc(Cl)c(C#N)n1 ZINC000486933638 380082795 /nfs/dbraw/zinc/08/27/95/380082795.db2.gz GARKVBKNUQBXKB-JTQLQIEISA-N 0 3 264.760 2.137 20 30 CEEDHN C=CCCCN1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000267974831 190366390 /nfs/dbraw/zinc/36/63/90/190366390.db2.gz CZNSCZAWFNOHMH-UHFFFAOYSA-N 0 3 292.427 2.451 20 30 CEEDHN C=CCCC[C@H](C)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528778548 380092677 /nfs/dbraw/zinc/09/26/77/380092677.db2.gz KZACYUJJEPIKBK-MJBXVCDLSA-N 0 3 271.426 2.383 20 30 CEEDHN C#CCOc1ccccc1CN[C@H]1CN(C2CC2)C[C@@H]1C ZINC000268111985 190377502 /nfs/dbraw/zinc/37/75/02/190377502.db2.gz IUESYVXAVDHMTH-YOEHRIQHSA-N 0 3 284.403 2.271 20 30 CEEDHN C=CCC(CC=C)C(=O)NC1CCN(C2CC2)CC1 ZINC000268168338 190383028 /nfs/dbraw/zinc/38/30/28/190383028.db2.gz PPBPBCQCQBTQBJ-UHFFFAOYSA-N 0 3 262.397 2.498 20 30 CEEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1cnc2ccc(C#N)cn12 ZINC000529668183 380183676 /nfs/dbraw/zinc/18/36/76/380183676.db2.gz DSWIRKUBKDXBOF-AZKPJATDSA-N 0 3 284.363 2.107 20 30 CEEDHN C=CCN1CCC(NC(=O)C=C(CC)CC)CC1 ZINC000268256552 190390527 /nfs/dbraw/zinc/39/05/27/190390527.db2.gz IXQPYUXQQXAPFS-UHFFFAOYSA-N 0 3 250.386 2.499 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000334226519 380258091 /nfs/dbraw/zinc/25/80/91/380258091.db2.gz FOSPWUQYNIZWRF-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN CC(C)NC(=O)C(C#N)c1nccc2ccccc21 ZINC000334266622 380263157 /nfs/dbraw/zinc/26/31/57/380263157.db2.gz NTYHSGUGPBBQFR-CYBMUJFWSA-N 0 3 253.305 2.367 20 30 CEEDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccc(CC#N)cc1 ZINC000535339929 380218956 /nfs/dbraw/zinc/21/89/56/380218956.db2.gz HKXATPWONCMUHK-MRXNPFEDSA-N 0 3 285.391 2.309 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000491371134 380312831 /nfs/dbraw/zinc/31/28/31/380312831.db2.gz CSPMSYIWAVSHMU-WMZOPIPTSA-N 0 3 284.403 2.036 20 30 CEEDHN C[C@@H]1CCN(C)CCN1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000491866423 380365215 /nfs/dbraw/zinc/36/52/15/380365215.db2.gz INEHOANMSZXQQP-HSBSLETESA-N 0 3 283.375 2.124 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cscc2C#N)CCN1C ZINC000334482947 380475954 /nfs/dbraw/zinc/47/59/54/380475954.db2.gz XLMJUALBCJHLDX-PWSUYJOCSA-N 0 3 277.393 2.174 20 30 CEEDHN CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CCN(C)CC1 ZINC000334587243 380640842 /nfs/dbraw/zinc/64/08/42/380640842.db2.gz UQSLKIZEGOEXRR-DLBZAZTESA-N 0 3 297.402 2.214 20 30 CEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cscc2C#N)C1 ZINC000334557381 380588645 /nfs/dbraw/zinc/58/86/45/380588645.db2.gz DKDZSSWZDYROSJ-SMDDNHRTSA-N 0 3 289.404 2.176 20 30 CEEDHN CN1CCC[C@@H](CNC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000552166629 380690956 /nfs/dbraw/zinc/69/09/56/380690956.db2.gz DITXKYZTEVWWLL-LBPRGKRZSA-N 0 3 291.782 2.283 20 30 CEEDHN C[C@@H](Nc1nccc(C#N)c1Cl)C1=CCN(C)CC1 ZINC000553182648 380725484 /nfs/dbraw/zinc/72/54/84/380725484.db2.gz NVVWFMFMPABOPL-SNVBAGLBSA-N 0 3 276.771 2.091 20 30 CEEDHN C=C(C)Cn1c(CC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000555191368 380812645 /nfs/dbraw/zinc/81/26/45/380812645.db2.gz JJIFYGWLOYHDFB-KBPBESRZSA-N 0 3 291.443 2.336 20 30 CEEDHN N#Cc1cnn2cc(CNCCOC3CCCCC3)cnc12 ZINC000556212337 380884901 /nfs/dbraw/zinc/88/49/01/380884901.db2.gz BPQYNYFHIMDZBQ-UHFFFAOYSA-N 0 3 299.378 2.040 20 30 CEEDHN CCN(C)CCNc1nc2cc(Cl)ccn2c1C#N ZINC000288577046 197117496 /nfs/dbraw/zinc/11/74/96/197117496.db2.gz UWTOTYATYIIRDS-UHFFFAOYSA-N 0 3 277.759 2.223 20 30 CEEDHN N#Cc1cccc(CN2CCCC[C@H]2C2(O)CC2)c1 ZINC000334795776 207089022 /nfs/dbraw/zinc/08/90/22/207089022.db2.gz HNRIHFADVRATJN-HNNXBMFYSA-N 0 3 256.349 2.438 20 30 CEEDHN CC(C)(C)OC(=O)NCC1CCC(=Nn2cnnc2)CC1 ZINC000495610219 381179795 /nfs/dbraw/zinc/17/97/95/381179795.db2.gz BQVUYROREDSCGF-UHFFFAOYSA-N 0 3 293.371 2.197 20 30 CEEDHN C=C(CC)CN1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000495814054 381187790 /nfs/dbraw/zinc/18/77/90/381187790.db2.gz LLUSVEKEWKVAQL-HUUCEWRRSA-N 0 3 296.411 2.322 20 30 CEEDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCCC#N)C[C@@H]2C1 ZINC000496962717 381235408 /nfs/dbraw/zinc/23/54/08/381235408.db2.gz ZUYHIADOPGJCAS-ZIAGYGMSSA-N 0 3 293.411 2.479 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCCC(F)(F)[C@@H]2O)s1 ZINC000334840399 207166722 /nfs/dbraw/zinc/16/67/22/207166722.db2.gz AGTIETHUQWXCKS-WDEREUQCSA-N 0 3 272.320 2.258 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCC(=O)N[C@H]1C1CC1)CC2 ZINC000574847953 299532088 /nfs/dbraw/zinc/53/20/88/299532088.db2.gz NFLYIYCFYOOQKM-RYRKJORJSA-N 0 3 295.386 2.192 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2cnc3ccc(C#N)cn23)C[C@@H]1C ZINC000353801318 220336679 /nfs/dbraw/zinc/33/66/79/220336679.db2.gz DYOGRMNWLHHQAZ-UONOGXRCSA-N 0 3 297.406 2.120 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000334602190 533118205 /nfs/dbraw/zinc/11/82/05/533118205.db2.gz QYELNNMRAFHDAO-IMTBSYHQSA-N 0 3 268.238 2.367 20 30 CEEDHN CCN1CCCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000332240778 285225404 /nfs/dbraw/zinc/22/54/04/285225404.db2.gz UWMUOQDLDKRDQM-OAHLLOKOSA-N 0 3 286.379 2.162 20 30 CEEDHN C[C@H]1[C@H](Nc2cnc(C#N)cn2)CCN1Cc1ccccc1 ZINC000288092230 197002531 /nfs/dbraw/zinc/00/25/31/197002531.db2.gz ADWPPGVLECZAEA-XJKSGUPXSA-N 0 3 293.374 2.423 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000281422929 195235564 /nfs/dbraw/zinc/23/55/64/195235564.db2.gz YDBCKYKUHSYNOT-WFASDCNBSA-N 0 3 287.363 2.016 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCCC[C@H](C)C1 ZINC000336052670 533239803 /nfs/dbraw/zinc/23/98/03/533239803.db2.gz XEUPMAWBHFYGTD-STQMWFEESA-N 0 3 263.385 2.059 20 30 CEEDHN COc1cc(C)c([C@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347075458 533611620 /nfs/dbraw/zinc/61/16/20/533611620.db2.gz SDJQUESVAOQDDY-QWRGUYRKSA-N 0 3 276.336 2.349 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2cncc(C#N)n2)CN1Cc1ccccc1 ZINC000401185901 533663449 /nfs/dbraw/zinc/66/34/49/533663449.db2.gz FAIAWHHLMZANAK-UKRRQHHQSA-N 0 3 293.374 2.423 20 30 CEEDHN N#Cc1cnc(N2CCC[C@H](N3CCCC3)C2)c(F)c1 ZINC000413062362 394477287 /nfs/dbraw/zinc/47/72/87/394477287.db2.gz PGZKDTFKZXGIIU-ZDUSSCGKSA-N 0 3 274.343 2.157 20 30 CEEDHN CC(C)[C@@H](C)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000030148733 394485190 /nfs/dbraw/zinc/48/51/90/394485190.db2.gz DCEFZACJQPDHSN-GFCCVEGCSA-N 0 3 259.353 2.473 20 30 CEEDHN CCN1CCCC[C@@H]1CNc1ncc(C#N)cc1F ZINC000413151322 394493592 /nfs/dbraw/zinc/49/35/92/394493592.db2.gz YXOTYZHLORIHMA-GFCCVEGCSA-N 0 3 262.332 2.379 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCCC[C@@H]1[C@@H](C)O ZINC000305185177 394498489 /nfs/dbraw/zinc/49/84/89/394498489.db2.gz ILZKXASRDQFNQV-IUODEOHRSA-N 0 3 274.364 2.302 20 30 CEEDHN O=C(NC1CCC2(CC2)CC1)N[C@H]1CCc2nc[nH]c2C1 ZINC000329593964 394575678 /nfs/dbraw/zinc/57/56/78/394575678.db2.gz HRTKXQQEYZBQCB-LBPRGKRZSA-N 0 3 288.395 2.493 20 30 CEEDHN O=C(NC1CCC2(CC2)CC1)N[C@H]1CCc2[nH]cnc2C1 ZINC000329593964 394575681 /nfs/dbraw/zinc/57/56/81/394575681.db2.gz HRTKXQQEYZBQCB-LBPRGKRZSA-N 0 3 288.395 2.493 20 30 CEEDHN CC(C)N(C)CC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000049399148 394546307 /nfs/dbraw/zinc/54/63/07/394546307.db2.gz NAJWLLNHXLDXIZ-LBPRGKRZSA-N 0 3 259.353 2.076 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCC(=O)N2)CCN1C ZINC000329888562 394592231 /nfs/dbraw/zinc/59/22/31/394592231.db2.gz ZCDMAXWOLJRVIT-IJLUTSLNSA-N 0 3 267.373 2.325 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000265947260 394657379 /nfs/dbraw/zinc/65/73/79/394657379.db2.gz KAIZFAGLNZMRKA-QETWALASSA-N 0 3 297.402 2.370 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000334282639 394670732 /nfs/dbraw/zinc/67/07/32/394670732.db2.gz IGEHCDHGDBFSMV-BBRMVZONSA-N 0 3 277.412 2.259 20 30 CEEDHN N#Cc1cc(F)ccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000266191153 394660379 /nfs/dbraw/zinc/66/03/79/394660379.db2.gz BOBSAJPQLXTTOA-CQSZACIVSA-N 0 3 257.312 2.148 20 30 CEEDHN CC[C@@H](NC(=O)N(C)CCN(C)C)c1c(C)noc1C ZINC000330462769 394613119 /nfs/dbraw/zinc/61/31/19/394613119.db2.gz BRXIHOPSWAIZCN-GFCCVEGCSA-N 0 3 282.388 2.150 20 30 CEEDHN N#Cc1cccc(CNCc2ccc(OCCO)cc2)c1 ZINC000356900353 394646515 /nfs/dbraw/zinc/64/65/15/394646515.db2.gz YQPNSBWPTJJALA-UHFFFAOYSA-N 0 3 282.343 2.219 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)CN1C1CC1 ZINC000333606591 394649081 /nfs/dbraw/zinc/64/90/81/394649081.db2.gz 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/nfs/dbraw/zinc/78/67/53/394786753.db2.gz MHRFJFZXDTVQIS-UONOGXRCSA-N 0 3 265.401 2.259 20 30 CEEDHN CC(C)CCN(CCC#N)C(=O)C1CCN(C)CC1 ZINC000360109373 394789162 /nfs/dbraw/zinc/78/91/62/394789162.db2.gz GAMUJBLCTGHGEW-UHFFFAOYSA-N 0 3 265.401 2.117 20 30 CEEDHN CC#CCN1CCC(C(=O)Nc2cc(C)ccn2)CC1 ZINC000360976674 394811433 /nfs/dbraw/zinc/81/14/33/394811433.db2.gz GQDPWXBOQFQXAE-UHFFFAOYSA-N 0 3 271.364 2.064 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000362931467 394870245 /nfs/dbraw/zinc/87/02/45/394870245.db2.gz JTUHAPVFYUFPPH-CZUORRHYSA-N 0 3 298.390 2.109 20 30 CEEDHN CCO[C@H]1COCC[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000362026930 394842710 /nfs/dbraw/zinc/84/27/10/394842710.db2.gz NQWQXUXEADBDMH-HOTGVXAUSA-N 0 3 293.794 2.475 20 30 CEEDHN C=CCN(CCOC)CCc1ccc2c(c1)OCCO2 ZINC000362057592 394843762 /nfs/dbraw/zinc/84/37/62/394843762.db2.gz RWJPYFPDAKYYMT-UHFFFAOYSA-N 0 3 277.364 2.135 20 30 CEEDHN CC(C)N(C)C(=O)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000336382147 394849440 /nfs/dbraw/zinc/84/94/40/394849440.db2.gz LKMZLGXDHCDKHO-ZFWWWQNUSA-N 0 3 277.412 2.257 20 30 CEEDHN CCC[C@@H](C#N)N(C)C(=O)C1CCN(C2CC2)CC1 ZINC000362406786 394860200 /nfs/dbraw/zinc/86/02/00/394860200.db2.gz ZSVRGXATSFCZSX-AWEZNQCLSA-N 0 3 263.385 2.011 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@H]2C(F)F)CC1 ZINC000338118107 394906087 /nfs/dbraw/zinc/90/60/87/394906087.db2.gz MAYYLPUASBLVLT-NWDGAFQWSA-N 0 3 272.339 2.044 20 30 CEEDHN C=CCN1CC[C@@H](N(CC)CCc2ccccc2)C1=O ZINC000282086480 394908976 /nfs/dbraw/zinc/90/89/76/394908976.db2.gz UXNVXZMZGYCAFJ-MRXNPFEDSA-N 0 3 272.392 2.338 20 30 CEEDHN N#C[C@H](NC(=O)c1ccc(CN2CCCC2)cc1)C1CC1 ZINC000338536858 394922102 /nfs/dbraw/zinc/92/21/02/394922102.db2.gz MKDUNCHFQJLCHU-INIZCTEOSA-N 0 3 283.375 2.314 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cc(OC)ccc1F ZINC000339337429 394955591 /nfs/dbraw/zinc/95/55/91/394955591.db2.gz BHPLZBXFMFNDFY-LLVKDONJSA-N 0 3 253.317 2.109 20 30 CEEDHN CN(C)C[C@H]1CN(CCCC#N)c2ccccc2O1 ZINC000366197754 394940200 /nfs/dbraw/zinc/94/02/00/394940200.db2.gz RVVQCWULWBEMIB-ZDUSSCGKSA-N 0 3 259.353 2.119 20 30 CEEDHN CC(C)(C)[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C[C@@H]1O ZINC000339077404 394940841 /nfs/dbraw/zinc/94/08/41/394940841.db2.gz QRAGIZZIGXARPB-DGAVXFQQSA-N 0 3 250.386 2.408 20 30 CEEDHN C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000339148366 394946906 /nfs/dbraw/zinc/94/69/06/394946906.db2.gz KAXAZEWLKJIVDG-OXGONZEZSA-N 0 3 278.396 2.337 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000342967062 395027954 /nfs/dbraw/zinc/02/79/54/395027954.db2.gz TUFLNJABXADEJN-CHWSQXEVSA-N 0 3 265.401 2.267 20 30 CEEDHN C=CCc1cc(CN2CCC[C@H](CO)C2)cc(OC)c1O ZINC000154614136 395022851 /nfs/dbraw/zinc/02/28/51/395022851.db2.gz CSEDSZAVCYSNMO-ZDUSSCGKSA-N 0 3 291.391 2.334 20 30 CEEDHN C=CCCOCCCCC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000342871055 395025288 /nfs/dbraw/zinc/02/52/88/395025288.db2.gz MTLFBTHMEPPJGU-INIZCTEOSA-N 0 3 294.439 2.445 20 30 CEEDHN C=C(C)[C@H](CC(=O)NCCN1CCC[C@@H](C)C1)OCC ZINC000339421001 394958884 /nfs/dbraw/zinc/95/88/84/394958884.db2.gz CPFKEOGKZAJKKZ-CABCVRRESA-N 0 3 282.428 2.206 20 30 CEEDHN CC#CCCN1CCC(C(=O)NCCCC)CC1 ZINC000155021583 395025867 /nfs/dbraw/zinc/02/58/67/395025867.db2.gz AXDSARJMKLYPSA-UHFFFAOYSA-N 0 3 250.386 2.028 20 30 CEEDHN CCN(CC#Cc1ccccc1Cl)[C@H](C)CO ZINC000339627764 394965904 /nfs/dbraw/zinc/96/59/04/394965904.db2.gz XVXFCFDPPNNUNY-GFCCVEGCSA-N 0 3 251.757 2.394 20 30 CEEDHN C=CCC[C@H](O)CN1CCOC[C@H]1CC1CCC1 ZINC000339768088 394971185 /nfs/dbraw/zinc/97/11/85/394971185.db2.gz OTJSCVUCSVKPRX-CABCVRRESA-N 0 3 253.386 2.205 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000150958207 394975598 /nfs/dbraw/zinc/97/55/98/394975598.db2.gz RWDLKUZQMQRSDF-HNNXBMFYSA-N 0 3 280.412 2.054 20 30 CEEDHN C=C(CNC(=O)N1CCCN(CC)CC1)c1ccccc1 ZINC000288088080 395053285 /nfs/dbraw/zinc/05/32/85/395053285.db2.gz SNTCYROMHDIHEL-UHFFFAOYSA-N 0 3 287.407 2.437 20 30 CEEDHN CN(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)C(C)(C)C#N ZINC000373098712 395054263 /nfs/dbraw/zinc/05/42/63/395054263.db2.gz IETSFAVWBKJWKY-HUUCEWRRSA-N 0 3 285.391 2.270 20 30 CEEDHN C=CCOc1ccc(CN2CCC(CC(N)=O)CC2)cc1 ZINC000159723052 395059562 /nfs/dbraw/zinc/05/95/62/395059562.db2.gz BGJCLYDXMUAMBZ-UHFFFAOYSA-N 0 3 288.391 2.339 20 30 CEEDHN Cc1ccccc1CN1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC000345768201 395076483 /nfs/dbraw/zinc/07/64/83/395076483.db2.gz CLVDISRLVQPYJV-CQSZACIVSA-N 0 3 285.391 2.235 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H]2CCC[C@H]21 ZINC000426475312 395076625 /nfs/dbraw/zinc/07/66/25/395076625.db2.gz XWFHYYLTHFOZMN-ZIAGYGMSSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000345804532 395078104 /nfs/dbraw/zinc/07/81/04/395078104.db2.gz AXVUUEAOYUFKDK-UGUYLWEFSA-N 0 3 294.439 2.204 20 30 CEEDHN C=CCCC(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000374296877 395079454 /nfs/dbraw/zinc/07/94/54/395079454.db2.gz QQGNULKUFLLYFC-CABCVRRESA-N 0 3 258.365 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Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000533365137 395461618 /nfs/dbraw/zinc/46/16/18/395461618.db2.gz ANUMQPOCJHEOCK-CYBMUJFWSA-N 0 3 271.364 2.081 20 30 CEEDHN C[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)N1CCCC1 ZINC000533404478 395461806 /nfs/dbraw/zinc/46/18/06/395461806.db2.gz SZAWUJXLWYLKDI-AWEZNQCLSA-N 0 3 297.402 2.190 20 30 CEEDHN Cn1ccnc1[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC000534581804 395463040 /nfs/dbraw/zinc/46/30/40/395463040.db2.gz ZXZCUXKISXGZCX-OAHLLOKOSA-N 0 3 266.348 2.281 20 30 CEEDHN Cc1cc(CNCCN2CCSCC2)ccc1C#N ZINC000443983972 395408197 /nfs/dbraw/zinc/40/81/97/395408197.db2.gz FIJUPUSGYIZSMW-UHFFFAOYSA-N 0 3 275.421 2.005 20 30 CEEDHN Cc1cc(CN[C@@H](C)CC[S@@](C)=O)ccc1C#N ZINC000443992950 395409179 /nfs/dbraw/zinc/40/91/79/395409179.db2.gz YUKSRTHJFLWOCZ-KPZWWZAWSA-N 0 3 264.394 2.113 20 30 CEEDHN CCN(CC)[C@@H](CNCCC#N)Cc1ccccc1 ZINC000567678632 395534794 /nfs/dbraw/zinc/53/47/94/395534794.db2.gz XRDKVCFELHHWPU-MRXNPFEDSA-N 0 3 259.397 2.443 20 30 CEEDHN 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30 CEEDHN C=CCC[C@@H](NCC[C@@]1(O)CCOC1)c1ccco1 ZINC000652261258 401475676 /nfs/dbraw/zinc/47/56/76/401475676.db2.gz AMIAQIPMJFRULO-UKRRQHHQSA-N 0 3 265.353 2.418 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)c1nc2c(cc1C#N)CCC2 ZINC000360335309 155275492 /nfs/dbraw/zinc/27/54/92/155275492.db2.gz MIZQGMODDJPKOE-ZDUSSCGKSA-N 0 3 284.407 2.220 20 30 CEEDHN Cn1cc(CNCc2ccc(O)c(F)c2)cc1C#N ZINC000191151020 153160785 /nfs/dbraw/zinc/16/07/85/153160785.db2.gz MSAIGXUYQNOPHA-UHFFFAOYSA-N 0 3 259.284 2.031 20 30 CEEDHN N#Cc1ccc(CNC[C@H]2CCC[C@@H](O)C2)c(F)c1 ZINC000227597998 153348365 /nfs/dbraw/zinc/34/83/65/153348365.db2.gz PRTNAGNOBNEHEZ-GXTWGEPZSA-N 0 3 262.328 2.338 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC[C@](C)(O)CC1 ZINC000230352637 153391593 /nfs/dbraw/zinc/39/15/93/153391593.db2.gz CRSGCSBZCDRENQ-INIZCTEOSA-N 0 3 274.364 2.304 20 30 CEEDHN C[C@@H]1C[C@@H](C)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000334832009 154235771 /nfs/dbraw/zinc/23/57/71/154235771.db2.gz OYNALSRAZOPJLE-VXGBXAGGSA-N 0 3 254.337 2.436 20 30 CEEDHN Cc1nnc(N2CCC[C@H](N3CCCCC3)C2)c(C#N)c1C ZINC000363395757 156025856 /nfs/dbraw/zinc/02/58/56/156025856.db2.gz MUYJREAYXWFNFM-HNNXBMFYSA-N 0 3 299.422 2.420 20 30 CEEDHN C[C@]1(CNCc2ccc(C#N)o2)CCO[C@@H]1C1CC1 ZINC000364054057 156062944 /nfs/dbraw/zinc/06/29/44/156062944.db2.gz FBQQIDIDLJCQKJ-HUUCEWRRSA-N 0 3 260.337 2.446 20 30 CEEDHN C[C@@]1(NCc2cnc3ccc(C#N)cn23)CCO[C@@H]1C1CC1 ZINC000367437048 156187008 /nfs/dbraw/zinc/18/70/08/156187008.db2.gz HUQRCJIMBZJGDC-IAGOWNOFSA-N 0 3 296.374 2.253 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)/C=C/c3ccccc3C#N)C[C@H]21 ZINC000375023421 157040611 /nfs/dbraw/zinc/04/06/11/157040611.db2.gz UOYWSZCOOLPKQD-WWJLMDQWSA-N 0 3 295.386 2.124 20 30 CEEDHN CN1CCC[C@H]1CNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000539790327 298254312 /nfs/dbraw/zinc/25/43/12/298254312.db2.gz OUGSOXXPVUQYRE-LBPRGKRZSA-N 0 3 277.755 2.036 20 30 CEEDHN CCN(CC)[C@H](CNc1ccncc1C#N)c1ccco1 ZINC000547824698 298380139 /nfs/dbraw/zinc/38/01/39/298380139.db2.gz ONDWWAZHYQYZGF-OAHLLOKOSA-N 0 3 284.363 2.463 20 30 CEEDHN N#Cc1ccc(CN(CCCN2CCOCC2)C2CC2)cc1 ZINC000173582338 165075437 /nfs/dbraw/zinc/07/54/37/165075437.db2.gz LHMZDGMEUNFSBL-UHFFFAOYSA-N 0 3 299.418 2.245 20 30 CEEDHN CN(C)CCN(C(=O)c1c[nH]c(C#N)c1)c1ccccc1 ZINC000181146773 165331564 /nfs/dbraw/zinc/33/15/64/165331564.db2.gz XJKLWZNKWJFTMI-UHFFFAOYSA-N 0 3 282.347 2.095 20 30 CEEDHN CCC[C@H](C)[C@@H](CO)NCc1cc(C#N)ccc1OC ZINC000565047418 298872752 /nfs/dbraw/zinc/87/27/52/298872752.db2.gz HLNRYNRUJYSLJK-SWLSCSKDSA-N 0 3 276.380 2.454 20 30 CEEDHN COc1ccc(CN(C)[C@H]2C[C@@H](OC)C2)cc1C#N ZINC000285445104 196285687 /nfs/dbraw/zinc/28/56/87/196285687.db2.gz SBLRWEOJINUEOC-OKILXGFUSA-N 0 3 260.337 2.176 20 30 CEEDHN C=CCCNC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000660341872 414780787 /nfs/dbraw/zinc/78/07/87/414780787.db2.gz HAQVHAYENOEGCI-OLZOCXBDSA-N 0 3 253.390 2.125 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CC(C)(F)F)CC1 ZINC000345923568 414877818 /nfs/dbraw/zinc/87/78/18/414877818.db2.gz GHGHPAYTJYKQRY-UHFFFAOYSA-N 0 3 260.328 2.188 20 30 CEEDHN C=CCOc1cccc(CNC[C@H](OC)[C@H]2CCOC2)c1 ZINC000657543864 414995171 /nfs/dbraw/zinc/99/51/71/414995171.db2.gz NFKKCWZFMUJJBO-RDJZCZTQSA-N 0 3 291.391 2.393 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000660857270 415010562 /nfs/dbraw/zinc/01/05/62/415010562.db2.gz JLKCEPHLIANMQU-TUVASFSCSA-N 0 3 277.412 2.362 20 30 CEEDHN C=CC[C@H](C)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654729114 415021559 /nfs/dbraw/zinc/02/15/59/415021559.db2.gz PEUHUHFZAKGLPY-MELADBBJSA-N 0 3 265.401 2.267 20 30 CEEDHN CCC#C[C@H](C)N1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000653707602 415079750 /nfs/dbraw/zinc/07/97/50/415079750.db2.gz IDOLRJWCZDNQEB-GXTWGEPZSA-N 0 3 262.397 2.025 20 30 CEEDHN C=CCCCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661092155 415090600 /nfs/dbraw/zinc/09/06/00/415090600.db2.gz TUJDKEJDMXEBIO-GFCCVEGCSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCCNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000661099064 415094581 /nfs/dbraw/zinc/09/45/81/415094581.db2.gz GNTDAZRHRSZEBY-INIZCTEOSA-N 0 3 287.407 2.384 20 30 CEEDHN C=CC[C@H](C)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654729112 415022585 /nfs/dbraw/zinc/02/25/85/415022585.db2.gz PEUHUHFZAKGLPY-BFHYXJOUSA-N 0 3 265.401 2.267 20 30 CEEDHN C=CCOCCCNCc1cccc(OC)c1OC ZINC000657655250 415037970 /nfs/dbraw/zinc/03/79/70/415037970.db2.gz CIIQETMGILBUCR-UHFFFAOYSA-N 0 3 265.353 2.386 20 30 CEEDHN C=CCOCCCNCc1cn2cccc(F)c2n1 ZINC000657658359 415038173 /nfs/dbraw/zinc/03/81/73/415038173.db2.gz TZVFNBBYYWSHOI-UHFFFAOYSA-N 0 3 263.316 2.156 20 30 CEEDHN C=CCN(C[C@H](O)Cc1ccc(F)cc1)[C@@H](C)COC ZINC000661239531 415152555 /nfs/dbraw/zinc/15/25/55/415152555.db2.gz HRVBMXFSWLPXGI-XJKSGUPXSA-N 0 3 281.371 2.252 20 30 CEEDHN C=CC[C@H]1CCCN(CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000661381530 415232541 /nfs/dbraw/zinc/23/25/41/415232541.db2.gz MRKPSPQNIVDYLJ-UONOGXRCSA-N 0 3 271.426 2.099 20 30 CEEDHN C=CCN(CC=C)C[C@@H](O)COc1ccccc1C ZINC000046345411 175395598 /nfs/dbraw/zinc/39/55/98/175395598.db2.gz SWQZKNOMCOGPGB-OAHLLOKOSA-N 0 3 261.365 2.409 20 30 CEEDHN C=C(C)CN(C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000661509626 415304814 /nfs/dbraw/zinc/30/48/14/415304814.db2.gz QZCULHMCXIEPDI-GFCCVEGCSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCCC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N)C1 ZINC000658947215 415369581 /nfs/dbraw/zinc/36/95/81/415369581.db2.gz JRICLEKAUMGPDC-HUUCEWRRSA-N 0 3 276.355 2.435 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H]1CCc2c(nnn2C)C1 ZINC000655844070 415513179 /nfs/dbraw/zinc/51/31/79/415513179.db2.gz YCLWPEFLUPINDU-CQSZACIVSA-N 0 3 298.390 2.027 20 30 CEEDHN C=CCCCCN1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662006988 415569306 /nfs/dbraw/zinc/56/93/06/415569306.db2.gz DWIDSOQJHCJYSN-ZDUSSCGKSA-N 0 3 253.390 2.030 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCOCCCC ZINC000662082238 415614398 /nfs/dbraw/zinc/61/43/98/415614398.db2.gz ZWHBDEYWCLSHHD-GASCZTMLSA-N 0 3 280.412 2.102 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000665191335 415617914 /nfs/dbraw/zinc/61/79/14/415617914.db2.gz LOKUQDLDBMMDKY-NVXWUHKLSA-N 0 3 274.408 2.130 20 30 CEEDHN CCC#C[C@@H](C)N1CCC[C@H](C(=O)NC(C)C)C1 ZINC000662120317 415634436 /nfs/dbraw/zinc/63/44/36/415634436.db2.gz LOVDGPRSXMEXEA-KGLIPLIRSA-N 0 3 250.386 2.025 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC[C@H](C3CCC3)C2)C1=O ZINC000662044307 415594761 /nfs/dbraw/zinc/59/47/61/415594761.db2.gz QSGAZLNGMBESFI-LSDHHAIUSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)N(C)CCN(C)C ZINC000665391966 415724622 /nfs/dbraw/zinc/72/46/22/415724622.db2.gz OFDRUBFYNKCBRP-KBPBESRZSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCN1CC[C@H](N2CC3CC2(c2ccccc2)C3)C1=O ZINC000662331936 415784025 /nfs/dbraw/zinc/78/40/25/415784025.db2.gz LTURPPJTRCSPJX-HQVVEAJESA-N 0 3 282.387 2.394 20 30 CEEDHN C=C(C)CN(CC)C(=O)CNC1(COC)CCCCC1 ZINC000662336609 415789357 /nfs/dbraw/zinc/78/93/57/415789357.db2.gz FOCCBCIVEGQKNS-UHFFFAOYSA-N 0 3 282.428 2.350 20 30 CEEDHN C=CCN(C(=O)c1cc2c(s1)CCNC2)C1CC1 ZINC000662509449 415870310 /nfs/dbraw/zinc/87/03/10/415870310.db2.gz GGKVDMXYLJZVKF-UHFFFAOYSA-N 0 3 262.378 2.184 20 30 CEEDHN C=CC1CCN(C(=O)c2cccc3c2CCNC3)CC1 ZINC000662594929 415895876 /nfs/dbraw/zinc/89/58/76/415895876.db2.gz UCJWFGVAQSOHDY-UHFFFAOYSA-N 0 3 270.376 2.371 20 30 CEEDHN C=CCCCN(C)C(=O)NC1CCN(CC=C)CC1 ZINC000076984289 177138968 /nfs/dbraw/zinc/13/89/68/177138968.db2.gz BGPRWGVFKCEAIC-UHFFFAOYSA-N 0 3 265.401 2.244 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)CCSC)CC1 ZINC000077594227 177283299 /nfs/dbraw/zinc/28/32/99/177283299.db2.gz MWTOYZUWMZFVNK-CYBMUJFWSA-N 0 3 299.484 2.420 20 30 CEEDHN C=CCNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000077829358 177303221 /nfs/dbraw/zinc/30/32/21/177303221.db2.gz OYGKZKLWFZYODI-UHFFFAOYSA-N 0 3 287.407 2.179 20 30 CEEDHN CN(CCNc1nc(C(F)(F)F)ccc1C#N)C1CC1 ZINC000078834725 177395988 /nfs/dbraw/zinc/39/59/88/177395988.db2.gz IBOVDCNMUYUAMP-UHFFFAOYSA-N 0 3 284.285 2.478 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)Nc2ccc(CC#N)cc2)CCCN1C ZINC000344878030 225190120 /nfs/dbraw/zinc/19/01/20/225190120.db2.gz HJOXQTSVDFUROA-IUODEOHRSA-N 0 3 286.379 2.357 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000347060658 226008561 /nfs/dbraw/zinc/00/85/61/226008561.db2.gz DEQGLYXJTWBEHI-QMMMGPOBSA-N 0 3 272.226 2.361 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000347042207 226025439 /nfs/dbraw/zinc/02/54/39/226025439.db2.gz UGLXWUFEFRSYFH-CYBMUJFWSA-N 0 3 299.374 2.089 20 30 CEEDHN Cc1cc(C)cc(CN(C)CC(=O)NC2(C#N)CCC2)c1 ZINC000347123571 226033959 /nfs/dbraw/zinc/03/39/59/226033959.db2.gz OTDNRCSMOJZNGJ-UHFFFAOYSA-N 0 3 285.391 2.298 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2ccc(N3CCCC3)nc2)C1 ZINC000349827850 226860489 /nfs/dbraw/zinc/86/04/89/226860489.db2.gz KHMBHHDKGDDXQO-HIFRSBDPSA-N 0 3 270.380 2.464 20 30 CEEDHN N#CC(C(=O)c1ccc(-n2ccnc2)cc1)c1ccncn1 ZINC000354478513 227011495 /nfs/dbraw/zinc/01/14/95/227011495.db2.gz VEYSYYNYAMDJRS-CQSZACIVSA-N 0 3 289.298 2.152 20 30 CEEDHN N#CCCCCN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352675032 227154722 /nfs/dbraw/zinc/15/47/22/227154722.db2.gz CSIVCANGLGMOOJ-MNOVXSKESA-N 0 3 264.291 2.173 20 30 CEEDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N[C@@H]1CC[C@H](C#N)C1 ZINC000333092560 228190143 /nfs/dbraw/zinc/19/01/43/228190143.db2.gz OMLNDFMZPCMSEF-FQLMCAECSA-N 0 3 288.395 2.149 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@@H]1CCN(CCC)C1 ZINC000666929031 419475843 /nfs/dbraw/zinc/47/58/43/419475843.db2.gz ZDJPIGGPEFFRCS-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN Cc1c([C@H](C)NCc2ccc(OCC#N)cc2)cnn1C ZINC000035274502 260018489 /nfs/dbraw/zinc/01/84/89/260018489.db2.gz OXRZISVLEPUSHL-LBPRGKRZSA-N 0 3 284.363 2.482 20 30 CEEDHN C#C[C@@H](CC)N[C@H](C)Cn1cc(Br)cn1 ZINC000309246116 260149505 /nfs/dbraw/zinc/14/95/05/260149505.db2.gz ZEIRFKJMZLBOEG-KOLCDFICSA-N 0 3 270.174 2.036 20 30 CEEDHN C=CCOc1ccccc1C(=O)NCCN(C)C1CC1 ZINC000299283520 260180364 /nfs/dbraw/zinc/18/03/64/260180364.db2.gz UNSAKTCYNULANL-UHFFFAOYSA-N 0 3 274.364 2.075 20 30 CEEDHN C=CC[C@H](C)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447960579 260185449 /nfs/dbraw/zinc/18/54/49/260185449.db2.gz AKBPRSWFHAZJHP-QWHCGFSZSA-N 0 3 267.417 2.371 20 30 CEEDHN C=C(CC)CNCc1cc(OC)c(O)c(OC)c1 ZINC000313491634 260298258 /nfs/dbraw/zinc/29/82/58/260298258.db2.gz ADDVLUCQHZOJTL-UHFFFAOYSA-N 0 3 251.326 2.465 20 30 CEEDHN Cc1csc(NC(=O)NC[C@H]2CCCN(C)C2)c1C#N ZINC000516935439 260303132 /nfs/dbraw/zinc/30/31/32/260303132.db2.gz YNXPBBRPRSQXCI-LLVKDONJSA-N 0 3 292.408 2.392 20 30 CEEDHN CSC[C@@](C)(O)CNC1CC(C#N)(c2ccccc2)C1 ZINC000127205744 260361296 /nfs/dbraw/zinc/36/12/96/260361296.db2.gz PUZRAGWMXXMQCP-PCKAHOCUSA-N 0 3 290.432 2.314 20 30 CEEDHN CS[C@@H](CO)[C@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC000127227234 260361750 /nfs/dbraw/zinc/36/17/50/260361750.db2.gz TWEGTLSNDILGKB-IYOFFGIQSA-N 0 3 290.432 2.312 20 30 CEEDHN CN(C)Cc1cccc(C(=O)N[C@H](C#N)C(C)(C)C)c1 ZINC000085440641 260374564 /nfs/dbraw/zinc/37/45/64/260374564.db2.gz SGGFICGRDVEJBY-CQSZACIVSA-N 0 3 273.380 2.416 20 30 CEEDHN CC(C)(C)OC(=O)[C@H]1CCCN(CCCC#N)C1 ZINC000156661362 260801253 /nfs/dbraw/zinc/80/12/53/260801253.db2.gz GCIJKPJEBPPCDB-LBPRGKRZSA-N 0 3 252.358 2.344 20 30 CEEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)CCN1CC(C)(C)O ZINC000444673722 261062281 /nfs/dbraw/zinc/06/22/81/261062281.db2.gz IPIUBQQAUAYANH-OAHLLOKOSA-N 0 3 295.471 2.483 20 30 CEEDHN CC(C)N(C)CC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000153332815 261077243 /nfs/dbraw/zinc/07/72/43/261077243.db2.gz HUCQQUDRCKBMKE-HNNXBMFYSA-N 0 3 273.380 2.488 20 30 CEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@]1(C#N)C[C@@H]1C ZINC000448788371 261110414 /nfs/dbraw/zinc/11/04/14/261110414.db2.gz WVUPXOMWRWCBAI-HCZIRCDUSA-N 0 3 277.412 2.019 20 30 CEEDHN C#C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C(C)C ZINC000490635467 261174110 /nfs/dbraw/zinc/17/41/10/261174110.db2.gz HJYIGODOJVQGPP-UONOGXRCSA-N 0 3 250.386 2.025 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc(SC)n2)CC1 ZINC000491229848 261381112 /nfs/dbraw/zinc/38/11/12/261381112.db2.gz JPEDMUXEAUMPBB-UHFFFAOYSA-N 0 3 289.404 2.087 20 30 CEEDHN CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(C#N)c2)CCN1C ZINC000487088062 261639286 /nfs/dbraw/zinc/63/92/86/261639286.db2.gz QDOMLCPFBBUPFC-OAHLLOKOSA-N 0 3 288.351 2.243 20 30 CEEDHN C[C@H](NC(=O)C(C)(C)C#N)[C@H](c1ccccc1)N(C)C ZINC000186919273 262116754 /nfs/dbraw/zinc/11/67/54/262116754.db2.gz DLDPDBPYMDRSQI-GXTWGEPZSA-N 0 3 273.380 2.344 20 30 CEEDHN C=CCCC(=O)N1C[C@@H](N)[C@@H](c2ccc(F)cc2)C1 ZINC000364177971 262180713 /nfs/dbraw/zinc/18/07/13/262180713.db2.gz BXKBFYKHLXBZKG-ZIAGYGMSSA-N 0 3 262.328 2.045 20 30 CEEDHN C=CCOc1ccc(CNCCC[S@](C)=O)cc1 ZINC000116919818 262195406 /nfs/dbraw/zinc/19/54/06/262195406.db2.gz VXHBYKRVEHTYEJ-GOSISDBHSA-N 0 3 267.394 2.110 20 30 CEEDHN C#CCCN1CCCC[C@H]1COC(=O)NCCC ZINC000495708911 262289993 /nfs/dbraw/zinc/28/99/93/262289993.db2.gz XVICKBPWXQPEEN-ZDUSSCGKSA-N 0 3 252.358 2.000 20 30 CEEDHN C=CCC1(C(=O)N2CCCN(CC)CC2)CCC1 ZINC000364574694 262255467 /nfs/dbraw/zinc/25/54/67/262255467.db2.gz HOUMWADTHLSTKL-UHFFFAOYSA-N 0 3 250.386 2.287 20 30 CEEDHN CCOC(=O)C1CCC(N[C@@H](CC)CC#N)CC1 ZINC000184090390 262269137 /nfs/dbraw/zinc/26/91/37/262269137.db2.gz QNSXNRYZKFUUGB-CPCZMJQVSA-N 0 3 252.358 2.390 20 30 CEEDHN C=CCN(C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000186273828 262313462 /nfs/dbraw/zinc/31/34/62/262313462.db2.gz SHCFLPPONJWOJU-CYBMUJFWSA-N 0 3 294.420 2.405 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)C12CCCN1CCC2 ZINC000365641639 262391547 /nfs/dbraw/zinc/39/15/47/262391547.db2.gz GFMGOVCALPGJNI-CYBMUJFWSA-N 0 3 250.386 2.476 20 30 CEEDHN C=CCN1CC[C@H](N2CCC3(CCCC3)CC2)C1=O ZINC000337134913 262425409 /nfs/dbraw/zinc/42/54/09/262425409.db2.gz BOSIMICBEXPEPI-AWEZNQCLSA-N 0 3 262.397 2.430 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC[C@](C)(CC)C2)C1=O ZINC000337170116 262427837 /nfs/dbraw/zinc/42/78/37/262427837.db2.gz DYSIHJMQQGYZLJ-HIFRSBDPSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@H](C)[C@@H]1C ZINC000339581377 262655727 /nfs/dbraw/zinc/65/57/27/262655727.db2.gz KWYHICJORBIOKA-OFQRWUPVSA-N 0 3 275.392 2.495 20 30 CEEDHN C=CCCC[C@H](C)N1CCN(C(COC)COC)CC1 ZINC000411863575 262708118 /nfs/dbraw/zinc/70/81/18/262708118.db2.gz QJYZSAVZXLHXME-HNNXBMFYSA-N 0 3 284.444 2.010 20 30 CEEDHN COCCN1CC[C@@H](Nc2ccccc2O[C@@H](C)C#N)C1 ZINC000273135639 263013020 /nfs/dbraw/zinc/01/30/20/263013020.db2.gz CSFICWJHZMURPR-UONOGXRCSA-N 0 3 289.379 2.110 20 30 CEEDHN N#CCCCC[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000275917414 263034506 /nfs/dbraw/zinc/03/45/06/263034506.db2.gz YKRXNESLXGXJHB-CYBMUJFWSA-N 0 3 255.325 2.178 20 30 CEEDHN CN(C)C1(CNC(=O)c2ccc(C3(C#N)CC3)cc2)CCC1 ZINC000276004944 263034632 /nfs/dbraw/zinc/03/46/32/263034632.db2.gz PAJNBUOUXGWZMW-UHFFFAOYSA-N 0 3 297.402 2.456 20 30 CEEDHN CC(C)N(CCCC#N)C[C@H](O)COc1ccccc1 ZINC000277923021 263044777 /nfs/dbraw/zinc/04/47/77/263044777.db2.gz ZRBPXRKMSLGZRO-HNNXBMFYSA-N 0 3 276.380 2.440 20 30 CEEDHN CC(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279343281 263054829 /nfs/dbraw/zinc/05/48/29/263054829.db2.gz IPWISEJBJLOSDI-CQSZACIVSA-N 0 3 255.321 2.013 20 30 CEEDHN CCCCN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279782040 263057331 /nfs/dbraw/zinc/05/73/31/263057331.db2.gz ULSQXHMVFHJOPP-HNNXBMFYSA-N 0 3 269.348 2.499 20 30 CEEDHN N#CCCCNCc1ccc(Cl)cc1-n1cncn1 ZINC000280357102 263060514 /nfs/dbraw/zinc/06/05/14/263060514.db2.gz RQTZVFUCRBPWBT-UHFFFAOYSA-N 0 3 275.743 2.314 20 30 CEEDHN CSCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280440758 263061630 /nfs/dbraw/zinc/06/16/30/263061630.db2.gz MZISHADXTRMPQB-AWEZNQCLSA-N 0 3 287.388 2.110 20 30 CEEDHN C=C[C@H](CC(=O)NC[C@@H](C)N(C)C)c1ccccc1 ZINC000340071812 263066513 /nfs/dbraw/zinc/06/65/13/263066513.db2.gz AKOSKFSOIABZBJ-ZIAGYGMSSA-N 0 3 260.381 2.413 20 30 CEEDHN C=CCOc1ccc(CNC[C@H]2COCCO2)cc1Cl ZINC000340206224 263093149 /nfs/dbraw/zinc/09/31/49/263093149.db2.gz UUFUVRMFYURIFS-ZDUSSCGKSA-N 0 3 297.782 2.410 20 30 CEEDHN C#C[C@@H](NCc1cn(C)nc1-c1ccncc1)C(C)C ZINC000289118392 263107506 /nfs/dbraw/zinc/10/75/06/263107506.db2.gz DJONCRPMLFCWOG-OAHLLOKOSA-N 0 3 268.364 2.230 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000289774452 263112090 /nfs/dbraw/zinc/11/20/90/263112090.db2.gz MIHKBAALJVRCFW-AAEUAGOBSA-N 0 3 263.337 2.045 20 30 CEEDHN CN1CCC(N(Cc2ccco2)C(=O)CCCC#N)CC1 ZINC000291690191 263124925 /nfs/dbraw/zinc/12/49/25/263124925.db2.gz HIIKJUCGTPKKTH-UHFFFAOYSA-N 0 3 289.379 2.396 20 30 CEEDHN CCc1ccc([C@H](C#N)NC(=O)Cc2nc[nH]c2C)cc1 ZINC000293182506 263138394 /nfs/dbraw/zinc/13/83/94/263138394.db2.gz DEWJBRJWMAOWDK-HNNXBMFYSA-N 0 3 282.347 2.204 20 30 CEEDHN COCCN(CCCc1ccccc1)CCOCCC#N ZINC000293585749 263143621 /nfs/dbraw/zinc/14/36/21/263143621.db2.gz UCXRCLBFUSNMFV-UHFFFAOYSA-N 0 3 290.407 2.498 20 30 CEEDHN CC1(C#N)CCN(C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000294660162 263165740 /nfs/dbraw/zinc/16/57/40/263165740.db2.gz REEVMUIYWANVSK-HNNXBMFYSA-N 0 3 276.355 2.355 20 30 CEEDHN CN1CC=C(CNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000330690855 264003547 /nfs/dbraw/zinc/00/35/47/264003547.db2.gz QMGNLIIKYNKUMX-UHFFFAOYSA-N 0 3 281.337 2.223 20 30 CEEDHN C=CCCOCCCCC(=O)NCC1=CCN(C)CC1 ZINC000343251697 264079316 /nfs/dbraw/zinc/07/93/16/264079316.db2.gz INYDSIDURDDQIE-UHFFFAOYSA-N 0 3 280.412 2.128 20 30 CEEDHN CCc1nn(C)cc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000330954388 264087030 /nfs/dbraw/zinc/08/70/30/264087030.db2.gz GLGOXINVMGHEDK-UHFFFAOYSA-N 0 3 292.427 2.409 20 30 CEEDHN N#CCCCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000331345961 264204799 /nfs/dbraw/zinc/20/47/99/264204799.db2.gz VTMWBFVWAPHBMB-CQSZACIVSA-N 0 3 263.385 2.203 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@H](O)[C@@H](C)C2)cc1OC ZINC000190058776 264344079 /nfs/dbraw/zinc/34/40/79/264344079.db2.gz XCHSKSKYPVEPIG-ZFWWWQNUSA-N 0 3 291.391 2.463 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000424931647 264382981 /nfs/dbraw/zinc/38/29/81/264382981.db2.gz KUKBTVBIXOQIOB-HOTGVXAUSA-N 0 3 288.391 2.069 20 30 CEEDHN C#CCOc1ccc([C@H](C)N[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000090182317 264392060 /nfs/dbraw/zinc/39/20/60/264392060.db2.gz FRZXTZSYSAUDAS-ZFWWWQNUSA-N 0 3 298.386 2.113 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@](C)(O)C2)cc1OC ZINC000180192817 264393565 /nfs/dbraw/zinc/39/35/65/264393565.db2.gz HJSMUGYYWKYBTC-INIZCTEOSA-N 0 3 277.364 2.217 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(C(=O)OC)co1 ZINC000280590975 264455555 /nfs/dbraw/zinc/45/55/55/264455555.db2.gz BIOBRMDANMGRMS-RISCZKNCSA-N 0 3 279.336 2.137 20 30 CEEDHN C=CCOCCN1CCC(Oc2ccncc2C)CC1 ZINC000294165419 265000247 /nfs/dbraw/zinc/00/02/47/265000247.db2.gz PPSKSKLPGCHBKX-UHFFFAOYSA-N 0 3 276.380 2.436 20 30 CEEDHN C[C@@H]1[C@H](C(F)(F)F)CCN1CCC(=O)N(C)CCC#N ZINC000348242408 265147719 /nfs/dbraw/zinc/14/77/19/265147719.db2.gz JZAKEZFEGNDRIL-GHMZBOCLSA-N 0 3 291.317 2.021 20 30 CEEDHN CCC1(CNCCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000233015487 266016077 /nfs/dbraw/zinc/01/60/77/266016077.db2.gz YONHUHNMPNKNOJ-UHFFFAOYSA-N 0 3 292.404 2.112 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CC2CCC(=O)CC2)CC1 ZINC000356523726 266130801 /nfs/dbraw/zinc/13/08/01/266130801.db2.gz VIHJZOBZTRFYIQ-UHFFFAOYSA-N 0 3 292.423 2.293 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@H](COc2ccccc2)C1 ZINC000357079865 266243043 /nfs/dbraw/zinc/24/30/43/266243043.db2.gz QMVPBJWIXYXWSE-OLZOCXBDSA-N 0 3 258.321 2.074 20 30 CEEDHN CC[C@@H](C(=O)N1CCC(C)(C#N)CC1)N(CC)CC ZINC000357453475 266299136 /nfs/dbraw/zinc/29/91/36/266299136.db2.gz FIOBORVSRFWZOI-ZDUSSCGKSA-N 0 3 265.401 2.259 20 30 CEEDHN CC(C#N)C(=O)NCc1cccnc1OC1CCCC1 ZINC000357845672 266376040 /nfs/dbraw/zinc/37/60/40/266376040.db2.gz ZCLZFZDAXYSNTP-NSHDSACASA-N 0 3 273.336 2.179 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)[C@@H](C)COC)CC1 ZINC000360175584 266689334 /nfs/dbraw/zinc/68/93/34/266689334.db2.gz LTHQYQDJRUCHBB-KBPBESRZSA-N 0 3 282.428 2.062 20 30 CEEDHN CCN(CCC#N)C(=O)CN(C)[C@@H]1CCC(C)(C)C1 ZINC000361471294 266830238 /nfs/dbraw/zinc/83/02/38/266830238.db2.gz YWEYJTOSBAGRNH-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN C=C[C@H](C)NC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000362378105 266973601 /nfs/dbraw/zinc/97/36/01/266973601.db2.gz BLPLTVAUCYJNKP-YNEHKIRRSA-N 0 3 253.390 2.123 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000362898440 267058613 /nfs/dbraw/zinc/05/86/13/267058613.db2.gz IINFUOONEDVDRM-RHSMWYFYSA-N 0 3 299.418 2.027 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000368137913 267147732 /nfs/dbraw/zinc/14/77/32/267147732.db2.gz DIZQZSNGPKPMKZ-GOEBONIOSA-N 0 3 279.428 2.468 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000368666070 267196229 /nfs/dbraw/zinc/19/62/29/267196229.db2.gz JWVVJLFKJCPZFO-SMDDNHRTSA-N 0 3 269.364 2.007 20 30 CEEDHN C=CCN(C(=O)NCC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368924623 267213763 /nfs/dbraw/zinc/21/37/63/267213763.db2.gz MGIFPIZNSRJBQQ-INIZCTEOSA-N 0 3 287.407 2.478 20 30 CEEDHN CC[C@H](NC[C@H](O)C(F)F)c1ccc(C#N)cc1 ZINC000436306143 267221701 /nfs/dbraw/zinc/22/17/01/267221701.db2.gz JJHQVHNDQCQBNK-RYUDHWBXSA-N 0 3 254.280 2.225 20 30 CEEDHN N#CCCCCN1CCC[C@H](N2CCCCC2=O)C1 ZINC000369274035 267230829 /nfs/dbraw/zinc/23/08/29/267230829.db2.gz MAALEAHBQICZMH-AWEZNQCLSA-N 0 3 263.385 2.157 20 30 CEEDHN CCc1cc(N2CCN(c3ccc(C#N)cn3)CC2)ccn1 ZINC000450268076 267245921 /nfs/dbraw/zinc/24/59/21/267245921.db2.gz FIGZRWLRQLGEHU-UHFFFAOYSA-N 0 3 293.374 2.237 20 30 CEEDHN CC1(C)CN(CCCCC#N)C[C@@]2(CCCOC2)O1 ZINC000370041131 267286248 /nfs/dbraw/zinc/28/62/48/267286248.db2.gz OSPNGFHZRQCAQT-OAHLLOKOSA-N 0 3 266.385 2.340 20 30 CEEDHN COC(=O)CC1CC(NC2(c3cccc(C#N)c3)CC2)C1 ZINC000424288658 267359337 /nfs/dbraw/zinc/35/93/37/267359337.db2.gz ZFNSJGBCOWVOAM-UHFFFAOYSA-N 0 3 284.359 2.479 20 30 CEEDHN N#CC1(CNC2CCN(Cc3ccccn3)CC2)CCC1 ZINC000418144367 267364859 /nfs/dbraw/zinc/36/48/59/267364859.db2.gz SYRJSOQBMBBQRN-UHFFFAOYSA-N 0 3 284.407 2.329 20 30 CEEDHN C[C@@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)CC(F)(F)F ZINC000419341885 267702546 /nfs/dbraw/zinc/70/25/46/267702546.db2.gz ZSHUGDFZKRRREW-BXKDBHETSA-N 0 3 299.296 2.263 20 30 CEEDHN C#CC[C@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000376780267 268015434 /nfs/dbraw/zinc/01/54/34/268015434.db2.gz SVXKTMHSSMHSLL-HNNXBMFYSA-N 0 3 284.403 2.427 20 30 CEEDHN CC[C@H](CC#N)NC1CCN(Cc2cscn2)CC1 ZINC000376925388 268030303 /nfs/dbraw/zinc/03/03/03/268030303.db2.gz DNDMJBLCFYWBRD-GFCCVEGCSA-N 0 3 278.425 2.389 20 30 CEEDHN Cn1cc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1C#N ZINC000449448743 268127232 /nfs/dbraw/zinc/12/72/32/268127232.db2.gz AQAOZUXSYOAKOP-ZACQAIPSSA-N 0 3 287.407 2.412 20 30 CEEDHN Cn1cc(C[C@H]2CCN(Cc3ccc(C#N)cc3)C2)cn1 ZINC000531104515 268129909 /nfs/dbraw/zinc/12/99/09/268129909.db2.gz GALSQBVRFFZAEW-MRXNPFEDSA-N 0 3 280.375 2.356 20 30 CEEDHN CC[C@@H](C)[C@@H](O)CNCc1ccc(C#N)c(F)c1 ZINC000421331001 270604361 /nfs/dbraw/zinc/60/43/61/270604361.db2.gz YZEDIEXPSFANPD-YGRLFVJLSA-N 0 3 250.317 2.194 20 30 CEEDHN CN1CCC(Nc2nc3c(cc2C#N)CCCC3)CC1 ZINC000049957108 273870478 /nfs/dbraw/zinc/87/04/78/273870478.db2.gz KGYXJPOAZNSPNV-UHFFFAOYSA-N 0 3 270.380 2.338 20 30 CEEDHN C=C(C)CCN1CCN(c2nc(C)cc(C)n2)CC1 ZINC000274802446 275415876 /nfs/dbraw/zinc/41/58/76/275415876.db2.gz FNSCGNBNHHVOMO-UHFFFAOYSA-N 0 3 260.385 2.182 20 30 CEEDHN CCN(CC)[C@@H](CNc1ccc(C#N)nn1)c1ccco1 ZINC000301967326 276113930 /nfs/dbraw/zinc/11/39/30/276113930.db2.gz LGIPPTLHVTZRGZ-ZDUSSCGKSA-N 0 3 285.351 2.436 20 30 CEEDHN COC(=O)C1(CN[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000274972189 277049669 /nfs/dbraw/zinc/04/96/69/277049669.db2.gz CJVBQOFCQGNFPZ-LLVKDONJSA-N 0 3 258.321 2.162 20 30 CEEDHN CN1CC[C@]2(CCN(c3c(F)cc(C#N)cc3F)C2)C1 ZINC000292325999 277186403 /nfs/dbraw/zinc/18/64/03/277186403.db2.gz OZYODVGUXANYNZ-HNNXBMFYSA-N 0 3 277.318 2.368 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000346613887 278309959 /nfs/dbraw/zinc/30/99/59/278309959.db2.gz HCEWHSMUATTYKL-CAPXZKIUSA-N 0 3 283.375 2.205 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)N2CCC(C)(C#N)CC2)C1 ZINC000335974714 278342058 /nfs/dbraw/zinc/34/20/58/278342058.db2.gz YPBXDMPEQZFCPC-AWEZNQCLSA-N 0 3 292.427 2.054 20 30 CEEDHN C[S@@](=O)C1(CN[C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353662181 280178655 /nfs/dbraw/zinc/17/86/55/280178655.db2.gz MHYYOXZSVFANPY-AUUYWEPGSA-N 0 3 274.389 2.046 20 30 CEEDHN Cc1cc(C#N)cc(N2CC[C@@H](N3CCCCC3)C2)n1 ZINC000161052827 280314307 /nfs/dbraw/zinc/31/43/07/280314307.db2.gz VNUQFGRDRWVSNL-OAHLLOKOSA-N 0 3 270.380 2.326 20 30 CEEDHN N#Cc1nccc(N[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000306406202 289275393 /nfs/dbraw/zinc/27/53/93/289275393.db2.gz WSJVGECTCDRZAM-AWEZNQCLSA-N 0 3 279.347 2.035 20 30 CEEDHN C[C@H](CNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)c1nncn1C ZINC000329965045 298246050 /nfs/dbraw/zinc/24/60/50/298246050.db2.gz QWVPXBKXLFXMJH-NDBYEHHHSA-N 0 3 293.415 2.136 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2cc(C#N)cs2)[C@@]12CCCO2 ZINC000544708801 298327006 /nfs/dbraw/zinc/32/70/06/298327006.db2.gz MNDOPDXTXWGZSH-KFWWJZLASA-N 0 3 292.404 2.436 20 30 CEEDHN CC(C)(C)[C@H]1CCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000572038382 314117871 /nfs/dbraw/zinc/11/78/71/314117871.db2.gz GEDKTGXCUHRPIR-AWEZNQCLSA-N 0 3 283.379 2.469 20 30 CEEDHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000575123912 314207381 /nfs/dbraw/zinc/20/73/81/314207381.db2.gz AQLWZULFRHMSCT-UPJWGTAASA-N 0 3 283.379 2.467 20 30 CEEDHN CCC[C@H](C)[C@H](CO)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000577757401 314411228 /nfs/dbraw/zinc/41/12/28/314411228.db2.gz WRDBRDOQABILCD-FZMZJTMJSA-N 0 3 291.351 2.353 20 30 CEEDHN N#CCCC1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC000563067165 327869380 /nfs/dbraw/zinc/86/93/80/327869380.db2.gz DQJZHMCBRISMEB-HNNXBMFYSA-N 0 3 266.385 2.198 20 30 CEEDHN N#CCCCNCc1cncc(Br)c1 ZINC000274215749 327967493 /nfs/dbraw/zinc/96/74/93/327967493.db2.gz AJICTRYEDLNIQF-UHFFFAOYSA-N 0 3 254.131 2.237 20 30 CEEDHN C=C[C@](C)(O)CC(=O)Nc1ccccc1CN(C)C ZINC000571604776 328136995 /nfs/dbraw/zinc/13/69/95/328136995.db2.gz KSGMVDPLASSJGE-HNNXBMFYSA-N 0 3 262.353 2.014 20 30 CEEDHN C[C@@H](NC(=O)NCCCC#N)[C@@H](c1ccccc1)N(C)C ZINC000288294614 328252838 /nfs/dbraw/zinc/25/28/38/328252838.db2.gz TVMLVQJKCVEOMV-HIFRSBDPSA-N 0 3 288.395 2.281 20 30 CEEDHN Cc1nnc(CCN[C@@H]2CCC[C@@H](C#N)C2)s1 ZINC000289861831 328256611 /nfs/dbraw/zinc/25/66/11/328256611.db2.gz QYSCALNUPSRYQX-GHMZBOCLSA-N 0 3 250.371 2.061 20 30 CEEDHN C[C@H]1OCC[C@@]1(C)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000579964337 321905490 /nfs/dbraw/zinc/90/54/90/321905490.db2.gz CYIQGIXJPPSNIG-QMTHXVAHSA-N 0 3 275.308 2.124 20 30 CEEDHN Cc1ccc(NC[C@@H]2CCCCN2C2CC2)nc1C#N ZINC000580515138 322321899 /nfs/dbraw/zinc/32/18/99/322321899.db2.gz IEOYDNZSVLARRT-AWEZNQCLSA-N 0 3 270.380 2.112 20 30 CEEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCOCC1 ZINC000580957019 322358331 /nfs/dbraw/zinc/35/83/31/322358331.db2.gz LBADWQLNPDVQDW-UHFFFAOYSA-N 0 3 275.308 2.077 20 30 CEEDHN CCOC(=O)C[C@](C)(NCc1ccc(C#N)cn1)C(C)C ZINC000582614883 322488848 /nfs/dbraw/zinc/48/88/48/322488848.db2.gz LPLAHZBSWYSQQL-INIZCTEOSA-N 0 3 289.379 2.411 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000341258857 328405275 /nfs/dbraw/zinc/40/52/75/328405275.db2.gz LHXMOMQOHPIIRJ-CHWSQXEVSA-N 0 3 291.391 2.293 20 30 CEEDHN C=CC[C@H](C(=O)N[C@H](C)CN(C)C)c1ccccc1 ZINC000346228542 328570846 /nfs/dbraw/zinc/57/08/46/328570846.db2.gz RHANDAHVFQPFKE-HIFRSBDPSA-N 0 3 260.381 2.413 20 30 CEEDHN CC(C#N)C(=O)N(C)CCCOCc1ccccc1 ZINC000343977370 327037227 /nfs/dbraw/zinc/03/72/27/327037227.db2.gz RNEDYYQFLSZPRX-CYBMUJFWSA-N 0 3 260.337 2.211 20 30 CEEDHN N#CCC[C@@H](C#N)CNC1CCN(Cc2ccncc2)CC1 ZINC000558732069 327117827 /nfs/dbraw/zinc/11/78/27/327117827.db2.gz OPLRMCJJSQVRAB-INIZCTEOSA-N 0 3 297.406 2.079 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1scc(C)c1Cl ZINC000293962867 327186769 /nfs/dbraw/zinc/18/67/69/327186769.db2.gz LFGKDZSVUOVROV-UHFFFAOYSA-N 0 3 284.812 2.395 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(F)c(Cl)c1 ZINC000293989894 327192937 /nfs/dbraw/zinc/19/29/37/327192937.db2.gz NUXCXMMKLZEOQE-UHFFFAOYSA-N 0 3 282.746 2.164 20 30 CEEDHN C[C@H](NCC(=O)NCC#N)c1cccc2ccccc21 ZINC000181665010 327212516 /nfs/dbraw/zinc/21/25/16/327212516.db2.gz AWLWITNALMFMSC-LBPRGKRZSA-N 0 3 267.332 2.130 20 30 CEEDHN C[C@@H]1CSC[C@H]1NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000560487982 327314151 /nfs/dbraw/zinc/31/41/51/327314151.db2.gz FHCKFOJPIBAQHI-CHWSQXEVSA-N 0 3 295.452 2.012 20 30 CEEDHN CCC(CC)N(CC(=O)N(CC)CCC#N)C1CC1 ZINC000560853544 327348393 /nfs/dbraw/zinc/34/83/93/327348393.db2.gz WUTDGBIDAGUFTM-UHFFFAOYSA-N 0 3 265.401 2.402 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(Cl)ccc1F ZINC000294110111 327390058 /nfs/dbraw/zinc/39/00/58/327390058.db2.gz YXOCIPXMQQDXIQ-UHFFFAOYSA-N 0 3 282.746 2.164 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000246134356 327428002 /nfs/dbraw/zinc/42/80/02/327428002.db2.gz CHUZZALDFIRZAP-FOLVSLTJSA-N 0 3 276.424 2.273 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000562525176 327487377 /nfs/dbraw/zinc/48/73/77/327487377.db2.gz IHWHYVOYENTEQQ-NWDGAFQWSA-N 0 3 275.308 2.255 20 30 CEEDHN Cc1cccc2c1CC[C@@H]2NC(=O)[C@H](N)CCCC#N ZINC000562965924 327580514 /nfs/dbraw/zinc/58/05/14/327580514.db2.gz NBNJNLPHPJLDNX-CABCVRRESA-N 0 3 271.364 2.120 20 30 CEEDHN N#CCCC1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000582239046 328843695 /nfs/dbraw/zinc/84/36/95/328843695.db2.gz JGGDIPOOAUJZQT-UHFFFAOYSA-N 0 3 271.364 2.301 20 30 CEEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H](C)C#N)N(C)C ZINC000357860168 328877542 /nfs/dbraw/zinc/87/75/42/328877542.db2.gz HNPWEAFPQWLPLR-GUTXKFCHSA-N 0 3 273.380 2.262 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358760831 328893592 /nfs/dbraw/zinc/89/35/92/328893592.db2.gz JTEVPONWOSZFQI-CQSZACIVSA-N 0 3 262.328 2.069 20 30 CEEDHN CCSCc1ccnc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000582299250 328953792 /nfs/dbraw/zinc/95/37/92/328953792.db2.gz CFENBROUTRPFNJ-LBPRGKRZSA-N 0 3 292.408 2.294 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000377755547 329028035 /nfs/dbraw/zinc/02/80/35/329028035.db2.gz HWXHCUVNHICPOA-IUODEOHRSA-N 0 3 283.391 2.207 20 30 CEEDHN C=CCNC(=O)CN1CC[C@H](c2ccc(C)cc2)C1 ZINC000378646689 329058049 /nfs/dbraw/zinc/05/80/49/329058049.db2.gz HCPKIOVRIIACML-HNNXBMFYSA-N 0 3 258.365 2.087 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000458982324 329059167 /nfs/dbraw/zinc/05/91/67/329059167.db2.gz ALRDBULGYIHMLR-ZDUSSCGKSA-N 0 3 265.401 2.077 20 30 CEEDHN C=C(C)CCNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000458992223 329065186 /nfs/dbraw/zinc/06/51/86/329065186.db2.gz DHTFDBLPPVBPBB-CHWSQXEVSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccccn2)CC1 ZINC000171698174 329078581 /nfs/dbraw/zinc/07/85/81/329078581.db2.gz POKNEVAQKGTQKC-CYBMUJFWSA-N 0 3 288.395 2.092 20 30 CEEDHN C=CCN(CC[C@H]1CCNC1=O)Cc1ccc(OC)cc1 ZINC000582525062 329106764 /nfs/dbraw/zinc/10/67/64/329106764.db2.gz XXPABKDNWGUSFQ-OAHLLOKOSA-N 0 3 288.391 2.209 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)CC[C@H]2C)CC1 ZINC000173197306 329143326 /nfs/dbraw/zinc/14/33/26/329143326.db2.gz ZQKZAXIFJQELKN-UONOGXRCSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCCCN(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177009603 329178134 /nfs/dbraw/zinc/17/81/34/329178134.db2.gz PQZJOOUAMMZBNS-STQMWFEESA-N 0 3 259.415 2.240 20 30 CEEDHN N#CCc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC000174715412 329160968 /nfs/dbraw/zinc/16/09/68/329160968.db2.gz CEPHJPNXWWSHIG-MRXNPFEDSA-N 0 3 296.374 2.231 20 30 CEEDHN CCCCCCCCN1CCN2C(=O)NC[C@@H]2C1 ZINC000175898755 329170781 /nfs/dbraw/zinc/17/07/81/329170781.db2.gz GHPMPJMTITUNAW-CYBMUJFWSA-N 0 3 253.390 2.056 20 30 CEEDHN CC#CCN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177594667 329188005 /nfs/dbraw/zinc/18/80/05/329188005.db2.gz LBTWLWKWWLZDSL-OAHLLOKOSA-N 0 3 251.370 2.060 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C)[C@H]2C)CC1 ZINC000178669626 329201828 /nfs/dbraw/zinc/20/18/28/329201828.db2.gz PAOHSNBIOIJCSD-CHWSQXEVSA-N 0 3 265.401 2.077 20 30 CEEDHN C=C(C)CN(C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000181398345 329232666 /nfs/dbraw/zinc/23/26/66/329232666.db2.gz SPZRMTVENCWAGD-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(OCC)c(OC)c1 ZINC000321067300 329249740 /nfs/dbraw/zinc/24/97/40/329249740.db2.gz ZFSVCRYAYRGHAQ-CYBMUJFWSA-N 0 3 265.353 2.121 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](CO)CC=C)cc1OC ZINC000184271266 329258350 /nfs/dbraw/zinc/25/83/50/329258350.db2.gz BSVCFRSWVUZREA-CQSZACIVSA-N 0 3 277.364 2.287 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184487852 329260699 /nfs/dbraw/zinc/26/06/99/329260699.db2.gz DJRVKXQLFKWIBU-HUUCEWRRSA-N 0 3 283.412 2.367 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000185427333 329273383 /nfs/dbraw/zinc/27/33/83/329273383.db2.gz OKDLPXZFUAHQSZ-KBPBESRZSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCCC3(CC3)C2)CC1 ZINC000185734920 329330628 /nfs/dbraw/zinc/33/06/28/329330628.db2.gz PCOWEKQWKJUNBH-UHFFFAOYSA-N 0 3 277.412 2.222 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCCC[C@H](C)C1 ZINC000187939864 329361563 /nfs/dbraw/zinc/36/15/63/329361563.db2.gz OVYSBIIUAUYBSC-AWEZNQCLSA-N 0 3 250.386 2.309 20 30 CEEDHN C=CCCC1(C(=O)NC[C@H](C)N2CCCC2)CC1 ZINC000530368741 329363205 /nfs/dbraw/zinc/36/32/05/329363205.db2.gz HULDITIARQLSRD-ZDUSSCGKSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCOCC(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000425622950 329563742 /nfs/dbraw/zinc/56/37/42/329563742.db2.gz KJRRNIPUHHTNCP-OAHLLOKOSA-N 0 3 288.391 2.099 20 30 CEEDHN COC1([C@H](C)NCC#Cc2ccccc2)CCOCC1 ZINC000421024171 329801608 /nfs/dbraw/zinc/80/16/08/329801608.db2.gz CDMIWEZRMDRZLQ-HNNXBMFYSA-N 0 3 273.376 2.212 20 30 CEEDHN CC(C)c1ccc(CNC[C@H](O)CN(C)CCC#N)cc1 ZINC000572006806 329936824 /nfs/dbraw/zinc/93/68/24/329936824.db2.gz XPCKGZGOVDVQLB-KRWDZBQOSA-N 0 3 289.423 2.106 20 30 CEEDHN C=CCN(CC=C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000079866293 330062971 /nfs/dbraw/zinc/06/29/71/330062971.db2.gz WDYHXJRRZMMGTC-UHFFFAOYSA-N 0 3 288.347 2.418 20 30 CEEDHN C=C(C)CCN(CCO)Cc1ccc(OC)cc1OC ZINC000274783526 330107427 /nfs/dbraw/zinc/10/74/27/330107427.db2.gz LKLTYODKHNRVSM-UHFFFAOYSA-N 0 3 279.380 2.464 20 30 CEEDHN CCN(C(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000424071680 330220131 /nfs/dbraw/zinc/22/01/31/330220131.db2.gz BRNTVTAFTDHNMO-ZDUSSCGKSA-N 0 3 251.374 2.189 20 30 CEEDHN CCC1CCC(N(C)C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424087891 330224114 /nfs/dbraw/zinc/22/41/14/330224114.db2.gz GESSJWFIURHQSX-RUXDESIVSA-N 0 3 265.401 2.435 20 30 CEEDHN CCCOc1ccc(CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424105356 330234054 /nfs/dbraw/zinc/23/40/54/330234054.db2.gz VWCMAXHYWAEOMZ-OAHLLOKOSA-N 0 3 289.379 2.113 20 30 CEEDHN CCOc1ccc(OC)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424111994 330240242 /nfs/dbraw/zinc/24/02/42/330240242.db2.gz HWDLZQQIDSHISO-LBPRGKRZSA-N 0 3 291.351 2.054 20 30 CEEDHN Cc1ccccc1[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424114334 330242876 /nfs/dbraw/zinc/24/28/76/330242876.db2.gz QMGVDUGKMANFEA-GDBMZVCRSA-N 0 3 285.391 2.332 20 30 CEEDHN CN(C(=O)[C@@H](N)CCCC#N)[C@@H]1CCc2ccccc2C1 ZINC000424124524 330257098 /nfs/dbraw/zinc/25/70/98/330257098.db2.gz MKJVDJVEZPDKPY-CVEARBPZSA-N 0 3 285.391 2.023 20 30 CEEDHN CCC1(CNC(=O)[C@@H](N)CCCC#N)CCCC1 ZINC000424127300 330259292 /nfs/dbraw/zinc/25/92/92/330259292.db2.gz QHJBHWAYFUBSGD-LBPRGKRZSA-N 0 3 251.374 2.094 20 30 CEEDHN CCC[C@@H]1[C@@H](C)CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424127830 330259554 /nfs/dbraw/zinc/25/95/54/330259554.db2.gz QVSKBPGZWFSAIH-MELADBBJSA-N 0 3 265.401 2.435 20 30 CEEDHN Cc1cc(N(C)C)ccc1NC(=O)[C@H](N)CCCC#N ZINC000424133809 330266322 /nfs/dbraw/zinc/26/63/22/330266322.db2.gz MRDXGQBUBDFBPE-CYBMUJFWSA-N 0 3 274.368 2.021 20 30 CEEDHN CN(Cc1ccc(F)cc1Cl)C(=O)[C@H](N)CCCC#N ZINC000424135741 330270584 /nfs/dbraw/zinc/27/05/84/330270584.db2.gz JUZKJRFZXAAPCF-CYBMUJFWSA-N 0 3 297.761 2.459 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000424142754 330285489 /nfs/dbraw/zinc/28/54/89/330285489.db2.gz DZEYTRIJVIGUPR-VXGBXAGGSA-N 0 3 292.408 2.218 20 30 CEEDHN C[C@]1(CN[C@H]2CC[C@H](C#N)C2)COc2ccccc2O1 ZINC000527925984 330296652 /nfs/dbraw/zinc/29/66/52/330296652.db2.gz CNCKYOFNQOFCOT-XEZPLFJOSA-N 0 3 272.348 2.498 20 30 CEEDHN CCO[C@H](CCNC(=O)[C@@H](N)CCCC#N)C1CCCC1 ZINC000424153202 330299773 /nfs/dbraw/zinc/29/97/73/330299773.db2.gz MPZSSTRIWOJHDT-LSDHHAIUSA-N 0 3 295.427 2.109 20 30 CEEDHN CC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1nc2ccccc2[nH]1 ZINC000424159017 330305747 /nfs/dbraw/zinc/30/57/47/330305747.db2.gz SAEIWSHJARUJRG-NWDGAFQWSA-N 0 3 299.378 2.151 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(OC)ccc1OC ZINC000424167051 330309396 /nfs/dbraw/zinc/30/93/96/330309396.db2.gz DITRDARLLOPMBK-WFASDCNBSA-N 0 3 277.364 2.385 20 30 CEEDHN Cc1c(NC(=O)[C@@H](N)CCCC#N)cnn1C1CCCC1 ZINC000424172538 330312707 /nfs/dbraw/zinc/31/27/07/330312707.db2.gz NBQVAGMJWNXHPY-ZDUSSCGKSA-N 0 3 289.383 2.266 20 30 CEEDHN N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(Cl)cc1[O-] ZINC000424172921 330312880 /nfs/dbraw/zinc/31/28/80/330312880.db2.gz DRKSECGYZGSARQ-VIFPVBQESA-N 0 3 267.716 2.005 20 30 CEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(F)c1F ZINC000424172989 330313379 /nfs/dbraw/zinc/31/33/79/330313379.db2.gz MLJJRPLKSZKBSA-CABZTGNLSA-N 0 3 281.306 2.163 20 30 CEEDHN Cc1c(NC(=O)[C@H](N)CCCC#N)cnn1CCC(C)C ZINC000424178103 330317759 /nfs/dbraw/zinc/31/77/59/330317759.db2.gz VWLMBWNOIQBGLC-CYBMUJFWSA-N 0 3 291.399 2.197 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1ncc(CC)s1 ZINC000424179382 330318612 /nfs/dbraw/zinc/31/86/12/330318612.db2.gz YITHTHONDBIIOH-JQWIXIFHSA-N 0 3 252.383 2.386 20 30 CEEDHN CC(C)(C)C[C@@H](NC(=O)[C@@H](N)CCCC#N)C(F)(F)F ZINC000424187579 330321172 /nfs/dbraw/zinc/32/11/72/330321172.db2.gz JISIMEOGSSWMSW-VHSXEESVSA-N 0 3 293.333 2.491 20 30 CEEDHN C=CCOc1ccccc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000108342686 330353418 /nfs/dbraw/zinc/35/34/18/330353418.db2.gz ARQWMFFWLAKZBH-CQSZACIVSA-N 0 3 288.391 2.323 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCCNc2nccc(C(F)(F)F)n2)C1 ZINC000442775154 330782142 /nfs/dbraw/zinc/78/21/42/330782142.db2.gz FTPGROMPBTVBNO-NXEZZACHSA-N 0 3 299.300 2.189 20 30 CEEDHN COC(=O)COc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442852170 330786999 /nfs/dbraw/zinc/78/69/99/330786999.db2.gz FTHIUIRAVNJZIB-OCCSQVGLSA-N 0 3 288.347 2.020 20 30 CEEDHN C[C@H]1C[C@]1(C#N)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000448835123 330885348 /nfs/dbraw/zinc/88/53/48/330885348.db2.gz JRYYRPZOFITWSX-BLLLJJGKSA-N 0 3 287.363 2.115 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)[C@@H](C)NC1CC1 ZINC000449110789 330899747 /nfs/dbraw/zinc/89/97/47/330899747.db2.gz GSYWNTNVJZZFQV-CYBMUJFWSA-N 0 3 258.365 2.342 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000449665240 330942857 /nfs/dbraw/zinc/94/28/57/330942857.db2.gz CGZPZJQJPMEUEE-NSHDSACASA-N 0 3 260.337 2.210 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1CCO ZINC000451053832 331013658 /nfs/dbraw/zinc/01/36/58/331013658.db2.gz FTALWKOSFIPWHR-JKSUJKDBSA-N 0 3 286.375 2.132 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](OCC)[C@H](C)C1 ZINC000451521199 331032266 /nfs/dbraw/zinc/03/22/66/331032266.db2.gz DBYLFQNDWRRPIH-OWCLPIDISA-N 0 3 294.439 2.322 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCCC1CCCCC1 ZINC000451676286 331038648 /nfs/dbraw/zinc/03/86/48/331038648.db2.gz SFIACROSGYYTPQ-CVEARBPZSA-N 0 3 294.439 2.396 20 30 CEEDHN C=CCCCN1C[C@@H](C(=O)OC)N(CCCC=C)C[C@H]1C ZINC000451695675 331039396 /nfs/dbraw/zinc/03/93/96/331039396.db2.gz FBSZHGOCMLUXTQ-CVEARBPZSA-N 0 3 294.439 2.467 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCCc2ccccc2CC1 ZINC000451740833 331040845 /nfs/dbraw/zinc/04/08/45/331040845.db2.gz MEQSJMYZWAMTBM-CQSZACIVSA-N 0 3 272.392 2.168 20 30 CEEDHN CC[C@H](C)N1CCN(CCCSCC#N)CC1 ZINC000451846772 331044652 /nfs/dbraw/zinc/04/46/52/331044652.db2.gz ROXGXRYAFGVZDS-ZDUSSCGKSA-N 0 3 255.431 2.049 20 30 CEEDHN C=CCNC(=O)C(C)S(=O)(=O)CC1(C)CCCCC1 ZINC000453040266 331084575 /nfs/dbraw/zinc/08/45/75/331084575.db2.gz JPKLRSZKVFKZDF-GFCCVEGCSA-N 0 3 287.425 2.062 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)Nc1ccnn1CCN(C)C ZINC000455661105 331174972 /nfs/dbraw/zinc/17/49/72/331174972.db2.gz SUYNMPURPNYDAC-ZDUSSCGKSA-N 0 3 291.399 2.017 20 30 CEEDHN C[C@@H](N(C)C(=O)C(C#N)CCc1ccccc1)C(C)(C)O ZINC000456087535 331184077 /nfs/dbraw/zinc/18/40/77/331184077.db2.gz OEYGXVOZJMNAOF-HIFRSBDPSA-N 0 3 288.391 2.377 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000457630702 331229539 /nfs/dbraw/zinc/22/95/39/331229539.db2.gz CUNSRVBSCVAERT-XUWVNRHRSA-N 0 3 294.439 2.203 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457840600 331236312 /nfs/dbraw/zinc/23/63/12/331236312.db2.gz GOBCMNJKSDCZIT-ARFHVFGLSA-N 0 3 294.439 2.299 20 30 CEEDHN C=C(CC)CNC(=O)NCCN1CCCC(C)(C)C1 ZINC000459102672 331270369 /nfs/dbraw/zinc/27/03/69/331270369.db2.gz ULEYSIJQNAGDDL-UHFFFAOYSA-N 0 3 267.417 2.374 20 30 CEEDHN CCO[C@@H]1C[C@H](NCC2(CC#N)CC2)[C@@H]1SC ZINC000459522813 331285886 /nfs/dbraw/zinc/28/58/86/331285886.db2.gz XUFUDZUYPRRVDY-TUAOUCFPSA-N 0 3 254.399 2.179 20 30 CEEDHN CC(C)(CC#N)CNCc1cccc2c1OCCO2 ZINC000459691690 331294674 /nfs/dbraw/zinc/29/46/74/331294674.db2.gz LDEKOHSJUABHDE-UHFFFAOYSA-N 0 3 260.337 2.487 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)(CC)C2)CC1 ZINC000464226614 331358248 /nfs/dbraw/zinc/35/82/48/331358248.db2.gz AFNFUVCVTJBSKP-UHFFFAOYSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CCCCS(=O)(=O)NCCCN1CCCC[C@@H]1C ZINC000489015686 332037745 /nfs/dbraw/zinc/03/77/45/332037745.db2.gz STMGLACWJVHQBG-AWEZNQCLSA-N 0 3 288.457 2.137 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)C1(C)CCCC1 ZINC000489891866 332072150 /nfs/dbraw/zinc/07/21/50/332072150.db2.gz UWLYKGGBEDCIKP-UHFFFAOYSA-N 0 3 250.386 2.452 20 30 CEEDHN C#C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C(C)C ZINC000490627568 332096719 /nfs/dbraw/zinc/09/67/19/332096719.db2.gz CEHRHHOLGJUSQK-IAGOWNOFSA-N 0 3 299.418 2.068 20 30 CEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)CN(C)CCC ZINC000490629975 332097346 /nfs/dbraw/zinc/09/73/46/332097346.db2.gz OSPDEESDPMCGLB-UHFFFAOYSA-N 0 3 276.355 2.129 20 30 CEEDHN C#CCN(C(=O)N[C@H]1CCN(C)[C@@H](C)C1)C1CCCCC1 ZINC000490700473 332106175 /nfs/dbraw/zinc/10/61/75/332106175.db2.gz SYWCIUNLDWOMJQ-GJZGRUSLSA-N 0 3 291.439 2.447 20 30 CEEDHN C#CCN(CC)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000490715127 332107641 /nfs/dbraw/zinc/10/76/41/332107641.db2.gz UIRAETZKYHXVGU-QGZVFWFLSA-N 0 3 299.418 2.173 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1c(C)cccc1C ZINC000491068983 332145240 /nfs/dbraw/zinc/14/52/40/332145240.db2.gz SNRITYSQFXELEH-CQSZACIVSA-N 0 3 258.365 2.094 20 30 CEEDHN C#CCNC(=O)CCN[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000491119296 332151675 /nfs/dbraw/zinc/15/16/75/332151675.db2.gz HZYZYPDGRIKHSK-LRDDRELGSA-N 0 3 290.794 2.304 20 30 CEEDHN C#CCN(C(=O)C[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000491264942 332176677 /nfs/dbraw/zinc/17/66/77/332176677.db2.gz IVNVGHKWYKXEBT-MRXNPFEDSA-N 0 3 270.376 2.304 20 30 CEEDHN C#CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000491339431 332193152 /nfs/dbraw/zinc/19/31/52/332193152.db2.gz PWRPHHISHHAKLE-UHFFFAOYSA-N 0 3 256.349 2.036 20 30 CEEDHN C#C[C@@H](CC)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000491416740 332207878 /nfs/dbraw/zinc/20/78/78/332207878.db2.gz LNWSIEYQJXLFET-KRWDZBQOSA-N 0 3 284.403 2.427 20 30 CEEDHN C#C[C@@H](C)N(C)CCC(=O)NCC1CCCCC1 ZINC000491451689 332212869 /nfs/dbraw/zinc/21/28/69/332212869.db2.gz HHGJLWSNTGSVQD-CYBMUJFWSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CCNC(=O)C1CCN(Cc2ccc3occc3c2)CC1 ZINC000491483399 332219295 /nfs/dbraw/zinc/21/92/95/332219295.db2.gz BQUACZWXZHLANQ-UHFFFAOYSA-N 0 3 296.370 2.394 20 30 CEEDHN C#CCN1CCC(C(=O)NC23CCC(CC2)CC3)CC1 ZINC000491626221 332249794 /nfs/dbraw/zinc/24/97/94/332249794.db2.gz IRJGHYUTDUWHDG-UHFFFAOYSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN(C)CCCNC(=O)C/C=C\c1ccc(C)cc1 ZINC000491658348 332269314 /nfs/dbraw/zinc/26/93/14/332269314.db2.gz KAAWPCMFHMDZPI-ALCCZGGFSA-N 0 3 284.403 2.470 20 30 CEEDHN C#C[C@H](C)N(C)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000491694464 332290334 /nfs/dbraw/zinc/29/03/34/332290334.db2.gz LFSAVWUXTAAETG-LBPRGKRZSA-N 0 3 266.385 2.245 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000491710979 332302574 /nfs/dbraw/zinc/30/25/74/332302574.db2.gz SNPNXZRKSBIJDH-YQQAZPJKSA-N 0 3 299.418 2.170 20 30 CEEDHN C#C[C@@H](NC(=O)N(C)[C@@H](C)C1CCN(C)CC1)C(C)C ZINC000491738334 332317969 /nfs/dbraw/zinc/31/79/69/332317969.db2.gz WQFUEXSJOQQLDC-DZGCQCFKSA-N 0 3 279.428 2.016 20 30 CEEDHN C#CCNC(=O)CCNCc1cccc(C(C)C)c1 ZINC000491747027 332324511 /nfs/dbraw/zinc/32/45/11/332324511.db2.gz VYVDJEOZKOBDPR-UHFFFAOYSA-N 0 3 258.365 2.039 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000491784189 332347471 /nfs/dbraw/zinc/34/74/71/332347471.db2.gz SEMMJMISHMRIIW-GJZGRUSLSA-N 0 3 287.407 2.170 20 30 CEEDHN C#CCNC(=O)CCN[C@H]1CCCc2c(F)cc(F)cc21 ZINC000491820566 332370225 /nfs/dbraw/zinc/37/02/25/332370225.db2.gz SBCSFHFQZUGDHZ-HNNXBMFYSA-N 0 3 292.329 2.071 20 30 CEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)/C=C\CN(C)C ZINC000492490747 332399876 /nfs/dbraw/zinc/39/98/76/332399876.db2.gz ONOZXZQGJHZTLD-OJIASSBASA-N 0 3 273.336 2.034 20 30 CEEDHN CC(C)(C)OC(=O)NCCCNCC1(C#N)CCC1 ZINC000496418954 332549028 /nfs/dbraw/zinc/54/90/28/332549028.db2.gz VWELVEKINKPPGV-UHFFFAOYSA-N 0 3 267.373 2.185 20 30 CEEDHN C=CCOc1ccccc1CNCC(C)(C)OCCO ZINC000336842800 335120926 /nfs/dbraw/zinc/12/09/26/335120926.db2.gz VLMIUMBIUHTCTA-UHFFFAOYSA-N 0 3 279.380 2.129 20 30 CEEDHN C[C@@H](C#N)CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000521141128 333112300 /nfs/dbraw/zinc/11/23/00/333112300.db2.gz MTAAWWVENGKVAX-ZDUSSCGKSA-N 0 3 271.364 2.172 20 30 CEEDHN CC(C)Oc1ccc(CCNC(=O)C(C)C#N)cc1 ZINC000522847196 333296674 /nfs/dbraw/zinc/29/66/74/333296674.db2.gz IYVYVBYIXVRGBI-LBPRGKRZSA-N 0 3 260.337 2.292 20 30 CEEDHN CCOC(=O)[C@@H]1CC[C@H](NC[C@@H](C)C#N)C[C@@H]1C ZINC000133036096 334013858 /nfs/dbraw/zinc/01/38/58/334013858.db2.gz RYCXNUVSOAAFRN-ZDEQEGDKSA-N 0 3 252.358 2.104 20 30 CEEDHN C=CC[C@H](CC)NC(=O)CCN(C)c1ccncc1 ZINC000546693195 334046676 /nfs/dbraw/zinc/04/66/76/334046676.db2.gz XZQFRTUYYFPRQY-ZDUSSCGKSA-N 0 3 261.369 2.379 20 30 CEEDHN CC[C@H](C)CN(CC)[C@H](C)C(=O)N(C)CCC#N ZINC000245750076 334217203 /nfs/dbraw/zinc/21/72/03/334217203.db2.gz GNJBCGRPSJMQIM-QWHCGFSZSA-N 0 3 253.390 2.115 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H](F)C2)CC1 ZINC000564652749 334515299 /nfs/dbraw/zinc/51/52/99/334515299.db2.gz HRRNIGNWAZEQLQ-TZMCWYRMSA-N 0 3 283.391 2.217 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@H](C)C#N)C(C)C ZINC000182566021 335827174 /nfs/dbraw/zinc/82/71/74/335827174.db2.gz LGDKCWJWNGCWDF-HUUCEWRRSA-N 0 3 292.427 2.144 20 30 CEEDHN CCN(CCC#N)C(=O)CN(C)[C@H]1CCCC[C@@H]1C ZINC000194143942 336004958 /nfs/dbraw/zinc/00/49/58/336004958.db2.gz WECNDBYACDMMJK-KBPBESRZSA-N 0 3 265.401 2.259 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC000381037595 336045669 /nfs/dbraw/zinc/04/56/69/336045669.db2.gz ZGTYBTVZXYHXAZ-SHTZXODSSA-N 0 3 264.413 2.274 20 30 CEEDHN CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000581661562 336119675 /nfs/dbraw/zinc/11/96/75/336119675.db2.gz SFNGSLCYBUOCFM-MCIONIFRSA-N 0 3 265.401 2.483 20 30 CEEDHN C=CCN(C)CCN(CC)CCc1ccncc1C ZINC000581881728 336158461 /nfs/dbraw/zinc/15/84/61/336158461.db2.gz GDCUTKWSROFXSU-UHFFFAOYSA-N 0 3 261.413 2.372 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000347091994 534282988 /nfs/dbraw/zinc/28/29/88/534282988.db2.gz TWDMKTGZUZQRIQ-IJLUTSLNSA-N 0 3 252.358 2.104 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000347037873 534284781 /nfs/dbraw/zinc/28/47/81/534284781.db2.gz ONSGYPUKQUXIDU-DDTOSNHZSA-N 0 3 276.311 2.322 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccc3nccn3c2)CC1 ZINC000068430627 518605169 /nfs/dbraw/zinc/60/51/69/518605169.db2.gz OXJQLPIJBAWNNE-UHFFFAOYSA-N 0 3 298.390 2.105 20 30 CEEDHN Cc1cnc(NC(=O)N2CCN(C3CCCCC3)CC2)o1 ZINC000330148866 534567807 /nfs/dbraw/zinc/56/78/07/534567807.db2.gz JSRVWCDWDDYQHJ-UHFFFAOYSA-N 0 3 292.383 2.479 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@@H](OC)C1(C)C ZINC000234827132 523529756 /nfs/dbraw/zinc/52/97/56/523529756.db2.gz QIBOTFLFMYADNT-LSDHHAIUSA-N 0 3 274.364 2.470 20 30 CEEDHN Cc1cccc2[nH]cc(CCNC(=O)C(C)C#N)c21 ZINC000347139320 534775492 /nfs/dbraw/zinc/77/54/92/534775492.db2.gz RUROTZNPOBRDHW-LLVKDONJSA-N 0 3 255.321 2.295 20 30 CEEDHN N#Cc1cnc(NCCCN2CCc3ccccc3C2)cn1 ZINC000121367407 534826353 /nfs/dbraw/zinc/82/63/53/534826353.db2.gz HACYMXRHLRAWSE-UHFFFAOYSA-N 0 3 293.374 2.209 20 30 CEEDHN C[C@@H]1CN(c2cc(C#N)c3ccccc3n2)C[C@@H](C)N1 ZINC000068769693 525060561 /nfs/dbraw/zinc/06/05/61/525060561.db2.gz OJMOZBRETHMEGF-VXGBXAGGSA-N 0 3 266.348 2.293 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CC[C@H](C)C2)CC1 ZINC000353724700 526433951 /nfs/dbraw/zinc/43/39/51/526433951.db2.gz QDRRRSKWAMCNOQ-UONOGXRCSA-N 0 3 279.428 2.372 20 30 CEEDHN C=C(C)CN(C)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000352131288 526487100 /nfs/dbraw/zinc/48/71/00/526487100.db2.gz AYDZVQDDTUHJSJ-ZIAGYGMSSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC(C)(C2CC2)CC1 ZINC000352201721 526631467 /nfs/dbraw/zinc/63/14/67/526631467.db2.gz UUOSFYZLCYHUJC-LBPRGKRZSA-N 0 3 250.386 2.189 20 30 CEEDHN CC(C)(CCC#N)CN[C@H](Cc1ccccc1)C(N)=O ZINC000352249598 527000373 /nfs/dbraw/zinc/00/03/73/527000373.db2.gz KNJBXFKFKRIXIN-CQSZACIVSA-N 0 3 273.380 2.003 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000354657107 527151149 /nfs/dbraw/zinc/15/11/49/527151149.db2.gz QXBHWGBZBTZMNC-GJZGRUSLSA-N 0 3 297.443 2.141 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NCCN1CCCC(C)(C)C1 ZINC000347468976 527396401 /nfs/dbraw/zinc/39/64/01/527396401.db2.gz OEUOPBVPNFHDOJ-CQSZACIVSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCC[C@@H](NC[C@@H]1COCCO1)c1ccco1 ZINC000353403998 527449751 /nfs/dbraw/zinc/44/97/51/527449751.db2.gz LPFUAGYEQPCLIM-CHWSQXEVSA-N 0 3 251.326 2.292 20 30 CEEDHN CC(C)(C#N)CCN1CCC(Oc2cnccn2)CC1 ZINC000347115962 527466141 /nfs/dbraw/zinc/46/61/41/527466141.db2.gz CVUNXIVLGMUVOO-UHFFFAOYSA-N 0 3 274.368 2.260 20 30 CEEDHN CC(C)C1(C[NH+]=C([O-])N[C@H]2CCn3ccnc3C2)CC1 ZINC000330191684 527597582 /nfs/dbraw/zinc/59/75/82/527597582.db2.gz NGWDWCZGAPBWRB-LBPRGKRZSA-N 0 3 276.384 2.138 20 30 CEEDHN CCOc1cc2c(cc1CNC(=O)C(C)C#N)O[C@H](C)C2 ZINC000347054368 528340155 /nfs/dbraw/zinc/34/01/55/528340155.db2.gz TWGNFGRVNQZEJH-WDEREUQCSA-N 0 3 288.347 2.185 20 30 CEEDHN CCN1CCC(NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000329235888 528985763 /nfs/dbraw/zinc/98/57/63/528985763.db2.gz NXQMPFORGGHVQG-UHFFFAOYSA-N 0 3 297.402 2.456 20 30 CEEDHN C#Cc1cccc(NC(=S)NC[C@@H](C)N2CCCC2)c1 ZINC000726456273 574426763 /nfs/dbraw/zinc/42/67/63/574426763.db2.gz KEINCVPNWHIBJB-CYBMUJFWSA-N 0 3 287.432 2.439 20 30 CEEDHN Cc1ccc([C@@H](O)CNCc2cc(C#N)cs2)o1 ZINC000748099044 574433932 /nfs/dbraw/zinc/43/39/32/574433932.db2.gz BYDZDXRNHAFLTR-LBPRGKRZSA-N 0 3 262.334 2.344 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](CCC)c2ccccn2)CC1 ZINC000729387372 574486383 /nfs/dbraw/zinc/48/63/83/574486383.db2.gz WYOSXVDHYYYMKJ-KRWDZBQOSA-N 0 3 299.418 2.384 20 30 CEEDHN CCC(CC)CN(CCC#N)C(=S)NCCN(C)C ZINC000729642448 574490138 /nfs/dbraw/zinc/49/01/38/574490138.db2.gz MNHJZHVZAABUPA-UHFFFAOYSA-N 0 3 284.473 2.074 20 30 CEEDHN C#Cc1cccc(NC(=S)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000730956376 574585031 /nfs/dbraw/zinc/58/50/31/574585031.db2.gz ARVIFFQQRDXMQU-MRXNPFEDSA-N 0 3 299.443 2.439 20 30 CEEDHN C=CCNC(=S)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000731490917 574597045 /nfs/dbraw/zinc/59/70/45/574597045.db2.gz ZXIOGNNRXKJBAK-ZDUSSCGKSA-N 0 3 275.421 2.040 20 30 CEEDHN C=C(CN(C)C)C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000764579885 574599243 /nfs/dbraw/zinc/59/92/43/574599243.db2.gz XZMJPJFCZFBURP-GFCCVEGCSA-N 0 3 296.798 2.341 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000732596064 574624267 /nfs/dbraw/zinc/62/42/67/574624267.db2.gz IWQCHMBXRICQRJ-CZUORRHYSA-N 0 3 296.370 2.193 20 30 CEEDHN CN(c1ccc([N+](=O)[O-])cc1C#N)[C@@H]1CCN(C2CC2)C1 ZINC000733191442 574657171 /nfs/dbraw/zinc/65/71/71/574657171.db2.gz RKPKUBSWIYJLMX-CQSZACIVSA-N 0 3 286.335 2.139 20 30 CEEDHN C=CC[C@H](NC(=O)NC[C@@H]1CCCN1C)c1ccncc1 ZINC000734663140 574724462 /nfs/dbraw/zinc/72/44/62/574724462.db2.gz HNBVXYFDWUNNBQ-GJZGRUSLSA-N 0 3 288.395 2.092 20 30 CEEDHN CC[C@@H](C)CN(C)c1ccc(F)cc1C=NNC(=N)N ZINC000734744524 574729072 /nfs/dbraw/zinc/72/90/72/574729072.db2.gz RLPFAOIWZMXYFB-SNVBAGLBSA-N 0 3 279.363 2.125 20 30 CEEDHN CC(C#N)C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000736675267 574794224 /nfs/dbraw/zinc/79/42/24/574794224.db2.gz YJCBPERFUNLTSR-NHYWBVRUSA-N 0 3 290.338 2.257 20 30 CEEDHN CC(C#N)C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000740142411 574945065 /nfs/dbraw/zinc/94/50/65/574945065.db2.gz QRFHVQMVVGGSBB-UNXYVOJBSA-N 0 3 295.383 2.098 20 30 CEEDHN N=C(N)N=NC1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000741451450 574987297 /nfs/dbraw/zinc/98/72/97/574987297.db2.gz PDUDGPDORMXKSA-SNVBAGLBSA-N 0 3 250.733 2.447 20 30 CEEDHN C[C@H]1CC(N=Nc2nccnc2Cl)CCN1C ZINC000741461516 574987952 /nfs/dbraw/zinc/98/79/52/574987952.db2.gz ZJCNVVZPENEBQD-QMMMGPOBSA-N 0 3 253.737 2.012 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2CC[C@@H](SC)C2)CC1 ZINC000743626796 575107797 /nfs/dbraw/zinc/10/77/97/575107797.db2.gz NKNBRILRRCKBGN-UONOGXRCSA-N 0 3 297.468 2.220 20 30 CEEDHN CCN(CCCO)Cc1cc(Cl)ccc1OCC#N ZINC000743868595 575111835 /nfs/dbraw/zinc/11/18/35/575111835.db2.gz DMYCFFNRRZILCI-UHFFFAOYSA-N 0 3 282.771 2.447 20 30 CEEDHN CC#CCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000745095030 575133362 /nfs/dbraw/zinc/13/33/62/575133362.db2.gz WGQDZLTYJZWDKD-UHFFFAOYSA-N 0 3 271.360 2.465 20 30 CEEDHN CC(C#N)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000746613153 575160819 /nfs/dbraw/zinc/16/08/19/575160819.db2.gz XZOZFAGBHMANEP-LLVKDONJSA-N 0 3 295.383 2.004 20 30 CEEDHN CN(C)C(=S)NN=C1CCCC[C@@H]1N1CCCCC1 ZINC000748789241 575196198 /nfs/dbraw/zinc/19/61/98/575196198.db2.gz ZJFOIHYHXHQLCM-ZDUSSCGKSA-N 0 3 282.457 2.207 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000751501737 575290715 /nfs/dbraw/zinc/29/07/15/575290715.db2.gz ZPDWBDPLDLRRGN-LPHOPBHVSA-N 0 3 298.430 2.469 20 30 CEEDHN C[C@H]([NH2+]CCCCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820418508 599374426 /nfs/dbraw/zinc/37/44/26/599374426.db2.gz BDJCPFXXXWVPLH-NSHDSACASA-N 0 3 270.340 2.211 20 30 CEEDHN C[C@H]([NH2+]CCCCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820418508 599374430 /nfs/dbraw/zinc/37/44/30/599374430.db2.gz BDJCPFXXXWVPLH-NSHDSACASA-N 0 3 270.340 2.211 20 30 CEEDHN C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734282 599377465 /nfs/dbraw/zinc/37/74/65/599377465.db2.gz KXKACYFAHRAXEW-GHMZBOCLSA-N 0 3 257.341 2.482 20 30 CEEDHN C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734282 599377468 /nfs/dbraw/zinc/37/74/68/599377468.db2.gz KXKACYFAHRAXEW-GHMZBOCLSA-N 0 3 257.341 2.482 20 30 CEEDHN C=CCCOCC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823899145 607930515 /nfs/dbraw/zinc/93/05/15/607930515.db2.gz NMBANBGUHPBNRX-GFCCVEGCSA-N 0 3 287.367 2.110 20 30 CEEDHN C=CCCOCC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823899145 607930516 /nfs/dbraw/zinc/93/05/16/607930516.db2.gz NMBANBGUHPBNRX-GFCCVEGCSA-N 0 3 287.367 2.110 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C23CCC(CC2)C3(C)C)C1 ZINC000970208094 612960244 /nfs/dbraw/zinc/96/02/44/612960244.db2.gz OPPHPJBRDJGPPK-XOYHFGRZSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC000970210241 612962991 /nfs/dbraw/zinc/96/29/91/612962991.db2.gz AQZSRANRLXCVSN-FGTMMUONSA-N 0 3 296.414 2.231 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2scc(C)c2Cl)C1 ZINC000968776924 612968252 /nfs/dbraw/zinc/96/82/52/612968252.db2.gz MWDKQGZOYMWOOR-SNVBAGLBSA-N 0 3 282.796 2.147 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(C(C)C)nc2)C1 ZINC000969842843 612995210 /nfs/dbraw/zinc/99/52/10/612995210.db2.gz SUJUEPSTJLIPOP-CQSZACIVSA-N 0 3 299.418 2.278 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)C2CCC=CCC2)C1 ZINC000970888447 612996533 /nfs/dbraw/zinc/99/65/33/612996533.db2.gz BKSKEWPTZGCPTI-AWEZNQCLSA-N 0 3 274.408 2.193 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc(C)c(CC)o2)C1 ZINC000970730502 612997180 /nfs/dbraw/zinc/99/71/80/612997180.db2.gz HATCCWYYWJGAFL-ZDUSSCGKSA-N 0 3 288.391 2.224 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc(Cl)cs2)C1 ZINC000970529927 612997412 /nfs/dbraw/zinc/99/74/12/612997412.db2.gz VYKDMWYVERJYRY-JTQLQIEISA-N 0 3 296.823 2.475 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(C)cc2)C1 ZINC000970790837 612997653 /nfs/dbraw/zinc/99/76/53/612997653.db2.gz ZGLNUBNWBAMZJV-AWEZNQCLSA-N 0 3 270.376 2.068 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2cccc(C)c2)C1 ZINC000968076581 613023855 /nfs/dbraw/zinc/02/38/55/613023855.db2.gz CZMJDDBKMBXFFY-FUHWJXTLSA-N 0 3 298.430 2.387 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC000974724601 613037800 /nfs/dbraw/zinc/03/78/00/613037800.db2.gz VKPQXSJTQBXTQJ-HIFRSBDPSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)cc(C)n2)C(C)(C)C1 ZINC000974764578 613038305 /nfs/dbraw/zinc/03/83/05/613038305.db2.gz KMUSOIVTSFPTTP-INIZCTEOSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2c(C)cncc2C)C(C)(C)C1 ZINC000974818448 613038634 /nfs/dbraw/zinc/03/86/34/613038634.db2.gz IZKQYBIWAUDPRI-HNNXBMFYSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)C2CC3(CC3)C2)CC1 ZINC000948749588 613160959 /nfs/dbraw/zinc/16/09/59/613160959.db2.gz ZGPCZXHHXMAKPX-OAHLLOKOSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)C[C@@H]2C=CCC2)CC1 ZINC000948173473 613161097 /nfs/dbraw/zinc/16/10/97/613161097.db2.gz NMELAIMHHQZIAP-HZPDHXFCSA-N 0 3 274.408 2.289 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000948848859 613161724 /nfs/dbraw/zinc/16/17/24/613161724.db2.gz HWXZIPMRDJJUOY-IXDOHACOSA-N 0 3 288.435 2.369 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000948632601 613177885 /nfs/dbraw/zinc/17/78/85/613177885.db2.gz YBLSXQHWOZQBCQ-ULQDDVLXSA-N 0 3 288.435 2.369 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc(C)o2)CC1 ZINC000948165661 613179087 /nfs/dbraw/zinc/17/90/87/613179087.db2.gz OFOLRHTWKUDFQH-AWEZNQCLSA-N 0 3 274.364 2.148 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ncccc2CC)CC1 ZINC000948570349 613180326 /nfs/dbraw/zinc/18/03/26/613180326.db2.gz JZYMHTARIINUJT-INIZCTEOSA-N 0 3 299.418 2.204 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C2CCC(=C)CC2)[C@H](C)C1 ZINC000942600538 613223848 /nfs/dbraw/zinc/22/38/48/613223848.db2.gz RCLMTIZUIVJNIU-GDBMZVCRSA-N 0 3 274.408 2.193 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)cc(F)c2)[C@@H](C)C1 ZINC000942961419 613231855 /nfs/dbraw/zinc/23/18/55/613231855.db2.gz UUOSKHZUZYZWNF-XJKSGUPXSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(CC)cc2)C[C@H]1C ZINC000947993468 613235639 /nfs/dbraw/zinc/23/56/39/613235639.db2.gz CAQBTCIOPXTBHH-RHSMWYFYSA-N 0 3 284.403 2.465 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(F)c(C)c2)C[C@@H]1C ZINC000947658530 613235987 /nfs/dbraw/zinc/23/59/87/613235987.db2.gz MCBKZKWLMKMXFX-DZGCQCFKSA-N 0 3 288.366 2.350 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H](C)C1 ZINC000942588164 613236255 /nfs/dbraw/zinc/23/62/55/613236255.db2.gz IKHSPPKWDCVYOG-CZUORRHYSA-N 0 3 295.386 2.241 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3cc[nH]c32)C[C@@H]1C ZINC000947731151 613236940 /nfs/dbraw/zinc/23/69/40/613236940.db2.gz IQMVQQDJUYIUPT-DZGCQCFKSA-N 0 3 295.386 2.384 20 30 CEEDHN C=C(Br)CNC1CCC(N(C)C(C)=O)CC1 ZINC000962941428 613238273 /nfs/dbraw/zinc/23/82/73/613238273.db2.gz MFVVUFNOCFFPCF-UHFFFAOYSA-N 0 3 289.217 2.274 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)Cc2c(C)cccc2C)[C@@H](C)C1 ZINC000942094786 613259524 /nfs/dbraw/zinc/25/95/24/613259524.db2.gz IXEPIGYRTAPHDU-WMZOPIPTSA-N 0 3 298.430 2.306 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000946980222 613268950 /nfs/dbraw/zinc/26/89/50/613268950.db2.gz MHPBFEUCNHWELB-DOMZBBRYSA-N 0 3 274.339 2.042 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cccc3[nH]ccc32)C[C@H]1C ZINC000947739823 613270966 /nfs/dbraw/zinc/27/09/66/613270966.db2.gz DJOJGCFXWIBBDX-KGLIPLIRSA-N 0 3 295.386 2.384 20 30 CEEDHN C#CCN1C[C@]2(C)CN(C(=O)C(C)(C)C=C)C[C@]2(C)C1 ZINC000982428342 613292774 /nfs/dbraw/zinc/29/27/74/613292774.db2.gz HCVYGQDVZIGGOA-CALCHBBNSA-N 0 3 274.408 2.002 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CC23CCC3)C1 ZINC000970503965 613298660 /nfs/dbraw/zinc/29/86/60/613298660.db2.gz NUFZCVYQZHQIPA-OCCSQVGLSA-N 0 3 262.397 2.189 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000970554330 613299057 /nfs/dbraw/zinc/29/90/57/613299057.db2.gz JCJUIVKIBSQHDS-BYCMXARLSA-N 0 3 262.397 2.045 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)[nH]c2C)C1 ZINC000970501324 613299844 /nfs/dbraw/zinc/29/98/44/613299844.db2.gz QHCJHPIXYPPWRB-GFCCVEGCSA-N 0 3 275.396 2.258 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)nc(C)c2)C1 ZINC000969757622 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C=C(Cl)CNC1CC2(C1)CC(NC(=O)C(C)(F)F)C2 ZINC000963477254 613383821 /nfs/dbraw/zinc/38/38/21/613383821.db2.gz XDJCCALWQSJUDI-UHFFFAOYSA-N 0 3 292.757 2.411 20 30 CEEDHN C=C1CCC(C(=O)N2CCCN([C@H](C)COC)CC2)CC1 ZINC000981874035 613405116 /nfs/dbraw/zinc/40/51/16/613405116.db2.gz VVUBHKCIGHRDDW-OAHLLOKOSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2scnc2C)C1 ZINC000969586703 613436740 /nfs/dbraw/zinc/43/67/40/613436740.db2.gz MVXXHSVWBGHKCG-GFCCVEGCSA-N 0 3 293.436 2.354 20 30 CEEDHN C=CCCN1CCCN(C(=O)C2(C)CCC2)CC1 ZINC000981763478 613491601 /nfs/dbraw/zinc/49/16/01/613491601.db2.gz CKQRVPWIABPNIT-UHFFFAOYSA-N 0 3 250.386 2.287 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000982015031 613496207 /nfs/dbraw/zinc/49/62/07/613496207.db2.gz UIPPFJPDMONGPV-UHFFFAOYSA-N 0 3 288.395 2.011 20 30 CEEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)C(C)(F)F)C1 ZINC000964632850 613516641 /nfs/dbraw/zinc/51/66/41/613516641.db2.gz ONVBSWCUAZIRQD-GHMZBOCLSA-N 0 3 260.328 2.044 20 30 CEEDHN 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C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC(C)(C)C)C1 ZINC001021511352 623240880 /nfs/dbraw/zinc/24/08/80/623240880.db2.gz ODJJCJSZDGWLFJ-LSDHHAIUSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C(CC)CC)C1 ZINC001021525552 623250982 /nfs/dbraw/zinc/25/09/82/623250982.db2.gz GOPDOSNLQYZTFR-HOTGVXAUSA-N 0 3 276.424 2.369 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccsc2)C1 ZINC001021812064 623515548 /nfs/dbraw/zinc/51/55/48/623515548.db2.gz LORGKENCRVPCRJ-PHIMTYICSA-N 0 3 270.785 2.351 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001021948168 623589243 /nfs/dbraw/zinc/58/92/43/623589243.db2.gz JREGICZQCOMYEL-AOOOYVTPSA-N 0 3 278.730 2.021 20 30 CEEDHN C#CCC1(NCc2cccc(C(=O)OCC)n2)CCC1 ZINC000933292937 623603735 /nfs/dbraw/zinc/60/37/35/623603735.db2.gz GTGUHHJDOYONGF-UHFFFAOYSA-N 0 3 272.348 2.294 20 30 CEEDHN N#CC(C(=O)CCF)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000892497992 625679235 /nfs/dbraw/zinc/67/92/35/625679235.db2.gz BVLQRGKGVJOVJS-QMMMGPOBSA-N 0 3 286.665 2.486 20 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2.273 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccncc2CC)C1 ZINC001023452203 625016751 /nfs/dbraw/zinc/01/67/51/625016751.db2.gz ULBUCLPKMDRSPE-HNNXBMFYSA-N 0 3 299.418 2.109 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001023451643 625017940 /nfs/dbraw/zinc/01/79/40/625017940.db2.gz RSAKWAKSMFCVAF-GJZGRUSLSA-N 0 3 274.408 2.028 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccn3ccccc23)C1 ZINC001023481556 625022262 /nfs/dbraw/zinc/02/22/62/625022262.db2.gz HVOKHEDZSOBRIY-HNNXBMFYSA-N 0 3 295.386 2.014 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001023502511 625026520 /nfs/dbraw/zinc/02/65/20/625026520.db2.gz DSEZTLBWPPUNEC-BFYDXBDKSA-N 0 3 274.408 2.028 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001023511032 625029293 /nfs/dbraw/zinc/02/92/93/625029293.db2.gz VLVRSNVSKRRBGB-ZIAGYGMSSA-N 0 3 298.377 2.273 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001023582876 625050361 /nfs/dbraw/zinc/05/03/61/625050361.db2.gz RSEYDVSEPVZMJR-VYDXJSESSA-N 0 3 274.408 2.028 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2oc(CC)cc2C)C1 ZINC001023701734 625128105 /nfs/dbraw/zinc/12/81/05/625128105.db2.gz VOCXPEXDSUCOFA-AWEZNQCLSA-N 0 3 288.391 2.225 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(CC)cc2)C1 ZINC001023730644 625153112 /nfs/dbraw/zinc/15/31/12/625153112.db2.gz CAQHQHKNYRYKFQ-MRXNPFEDSA-N 0 3 284.403 2.324 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001023764756 625202064 /nfs/dbraw/zinc/20/20/64/625202064.db2.gz QTDNECYEYBAPTL-XGHPGWEVSA-N 0 3 288.435 2.274 20 30 CEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001024630836 625728126 /nfs/dbraw/zinc/72/81/26/625728126.db2.gz XSHBBXOIWPTWNO-AEFFLSMTSA-N 0 3 296.414 2.320 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccn(C)c1C ZINC001024636851 625733076 /nfs/dbraw/zinc/73/30/76/625733076.db2.gz ZEJWKBNGSNVRHW-OAHLLOKOSA-N 0 3 289.423 2.494 20 30 CEEDHN C#CCCCS(=O)(=O)Nc1ccc(C)cc1CN(C)C ZINC000820801717 634532355 /nfs/dbraw/zinc/53/23/55/634532355.db2.gz BZVUACGLWKHLSC-UHFFFAOYSA-N 0 3 294.420 2.212 20 30 CEEDHN Cc1ccc(C#N)cc1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000820874365 634557547 /nfs/dbraw/zinc/55/75/47/634557547.db2.gz NVPKLEBRGYEBSP-ZDUSSCGKSA-N 0 3 297.402 2.423 20 30 CEEDHN C=CC[C@@H]1CCCN(CN2CC[C@@H](CCOC)C2=O)C1 ZINC000902313699 634579177 /nfs/dbraw/zinc/57/91/77/634579177.db2.gz RSZLSIBAHMPOIJ-CABCVRRESA-N 0 3 280.412 2.117 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2C)C1 ZINC001025327294 627635078 /nfs/dbraw/zinc/63/50/78/627635078.db2.gz VZQNZEKRUMIPGW-HZPDHXFCSA-N 0 3 284.403 2.459 20 30 CEEDHN C=C(C)CCN1CCC[C@H](NC(=O)C(C)(F)F)C1 ZINC001006564471 627667557 /nfs/dbraw/zinc/66/75/57/627667557.db2.gz AZUJTFQCPIVHEA-NSHDSACASA-N 0 3 260.328 2.188 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccn2CC=C)C1 ZINC001025437873 627696089 /nfs/dbraw/zinc/69/60/89/627696089.db2.gz BTWALKGXSUOTSI-CVEARBPZSA-N 0 3 299.418 2.138 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC001007689654 627715964 /nfs/dbraw/zinc/71/59/64/627715964.db2.gz YMHLXFDOICNSRM-GOSISDBHSA-N 0 3 298.430 2.395 20 30 CEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(F)c[nH]2)C1 ZINC001025484809 627719263 /nfs/dbraw/zinc/71/92/63/627719263.db2.gz JPMKDEUPBMIWTD-OLZOCXBDSA-N 0 3 291.370 2.007 20 30 CEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C)c(C)n2)C1 ZINC001025484829 627719475 /nfs/dbraw/zinc/71/94/75/627719475.db2.gz JXBMGLXAFVVRNI-HOTGVXAUSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2c(C)cncc2C)C1 ZINC001025489487 627722945 /nfs/dbraw/zinc/72/29/45/627722945.db2.gz NMZMJJNJOPPPIK-HOTGVXAUSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2occc2CC)C1 ZINC001025527887 627734978 /nfs/dbraw/zinc/73/49/78/627734978.db2.gz NBAFWVSDNXMYOI-ZFWWWQNUSA-N 0 3 288.391 2.306 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892798569 627780221 /nfs/dbraw/zinc/78/02/21/627780221.db2.gz GADFPDVTDPNYGL-SJORKVTESA-N 0 3 299.418 2.451 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC001019808786 627913799 /nfs/dbraw/zinc/91/37/99/627913799.db2.gz WRPXKUHNZHLVRI-CJNGLKHVSA-N 0 3 288.366 2.143 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@@]2(C)CCc3ccccc3C2)C1 ZINC001019911174 627922969 /nfs/dbraw/zinc/92/29/69/627922969.db2.gz BHEIAMTUJOOOFU-HKUYNNGSSA-N 0 3 296.414 2.005 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001025921771 627966266 /nfs/dbraw/zinc/96/62/66/627966266.db2.gz GEPJUBDACDRJMG-SMLCLMEVSA-N 0 3 288.435 2.435 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCC[C@H]1C ZINC001026019394 628004055 /nfs/dbraw/zinc/00/40/55/628004055.db2.gz MTFYNNQTUAEEBB-NJURLYQPSA-N 0 3 262.397 2.045 20 30 CEEDHN C(#Cc1ccccc1)CN[C@H]1CCN(c2ccccn2)C1 ZINC000893229841 628157676 /nfs/dbraw/zinc/15/76/76/628157676.db2.gz KZVRKDOAPCTFLZ-KRWDZBQOSA-N 0 3 277.371 2.302 20 30 CEEDHN C=C1CCC(C(=O)OC[C@@]2(C)C[C@@H](OC)CN2C)CC1 ZINC000893261973 628201931 /nfs/dbraw/zinc/20/19/31/628201931.db2.gz GGDSYIZPRYPVPS-GDBMZVCRSA-N 0 3 281.396 2.385 20 30 CEEDHN N#CCC1CCN([C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893487189 628649396 /nfs/dbraw/zinc/64/93/96/628649396.db2.gz KWZPSCGBPPUBBR-KGLIPLIRSA-N 0 3 282.359 2.246 20 30 CEEDHN C=CCN(CCc1ccccc1)C[C@@H]1CCC(=O)O1 ZINC000821361977 634696213 /nfs/dbraw/zinc/69/62/13/634696213.db2.gz APWVGJZMSPAPOM-HNNXBMFYSA-N 0 3 259.349 2.423 20 30 CEEDHN CO[C@H]1CC[C@H](N2CCN(c3ccccc3C#N)CC2)C1 ZINC000821369713 634699900 /nfs/dbraw/zinc/69/99/00/634699900.db2.gz WIWIOJSAPJWOFC-HOTGVXAUSA-N 0 3 285.391 2.248 20 30 CEEDHN C#CCN(CC)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000893976226 629070939 /nfs/dbraw/zinc/07/09/39/629070939.db2.gz OVTUYISVQVVPNL-NSHDSACASA-N 0 3 290.354 2.490 20 30 CEEDHN C[C@@H]1CSC[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877516448 629177042 /nfs/dbraw/zinc/17/70/42/629177042.db2.gz AADDNRVVTLGHGT-KCJUWKMLSA-N 0 3 267.785 2.448 20 30 CEEDHN C=CC[C@H](C)N1CCC(F)(F)[C@@H](C(=O)OCC)C1 ZINC000879367556 629366757 /nfs/dbraw/zinc/36/67/57/629366757.db2.gz LFQVZAAOHXXQAV-WDEREUQCSA-N 0 3 261.312 2.471 20 30 CEEDHN CC[C@H](C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000048540773 629399065 /nfs/dbraw/zinc/39/90/65/629399065.db2.gz IMSSRHDVRVIYHU-AAEUAGOBSA-N 0 3 258.321 2.058 20 30 CEEDHN C#C[C@@H](NC1CC(S(=O)(=O)c2ccccc2)C1)C(C)C ZINC000894388027 629420845 /nfs/dbraw/zinc/42/08/45/629420845.db2.gz ZARIZDJBBQHRMC-AVVWSFFYSA-N 0 3 291.416 2.239 20 30 CEEDHN N#Cc1cc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)cs1 ZINC000894649974 629573839 /nfs/dbraw/zinc/57/38/39/629573839.db2.gz RYEROTXOEGZBOA-GJZGRUSLSA-N 0 3 292.404 2.029 20 30 CEEDHN CCC[C@H]([NH2+][C@H]1CCCN([O-])C1=O)[C@@H]1CC1(C)C ZINC000895157255 629973328 /nfs/dbraw/zinc/97/33/28/629973328.db2.gz OBZHXIMNFCWBMW-SRVKXCTJSA-N 0 3 254.374 2.171 20 30 CEEDHN O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCN1[O-] ZINC000895161910 629979907 /nfs/dbraw/zinc/97/99/07/629979907.db2.gz VODSVPCVAKRBKD-REWJHTLYSA-N 0 3 266.385 2.315 20 30 CEEDHN C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895161855 629980837 /nfs/dbraw/zinc/98/08/37/629980837.db2.gz IBCJWJKKGKSSEL-SMDDNHRTSA-N 0 3 280.343 2.117 20 30 CEEDHN O=C1[C@@H]([NH2+]CCCCCOc2ccccc2)CCCN1[O-] ZINC000895162154 629981413 /nfs/dbraw/zinc/98/14/13/629981413.db2.gz XELZYKYISMDNKU-HNNXBMFYSA-N 0 3 292.379 2.206 20 30 CEEDHN C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895162395 629982331 /nfs/dbraw/zinc/98/23/31/629982331.db2.gz YTEAMANXPIJWFD-RISCZKNCSA-N 0 3 280.343 2.117 20 30 CEEDHN C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895162428 629982356 /nfs/dbraw/zinc/98/23/56/629982356.db2.gz ZIRHYLQPCCBXPN-GXFFZTMASA-N 0 3 282.771 2.241 20 30 CEEDHN C#CCC1(O)CCN(Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000895670478 630299755 /nfs/dbraw/zinc/29/97/55/630299755.db2.gz RJWYGKWDIRXQOB-UHFFFAOYSA-N 0 3 289.423 2.068 20 30 CEEDHN CN(Cc1csc(C#N)c1)[C@@H]1CCCC[C@H]1O ZINC000895726637 630316873 /nfs/dbraw/zinc/31/68/73/630316873.db2.gz BYICCBYTAQILLC-CHWSQXEVSA-N 0 3 250.367 2.355 20 30 CEEDHN C#C[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C(C)C ZINC000799045830 630964583 /nfs/dbraw/zinc/96/45/83/630964583.db2.gz UPAUXXUGPLHOJL-HUUCEWRRSA-N 0 3 264.413 2.271 20 30 CEEDHN CCCN(CCN(C)C)C(=O)c1ccc(C)c(C#N)c1 ZINC000799340949 631015773 /nfs/dbraw/zinc/01/57/73/631015773.db2.gz UABNXDQPARFWRH-UHFFFAOYSA-N 0 3 273.380 2.281 20 30 CEEDHN O=C1CC(N=Nc2nccc3sccc32)[C@H]2CCCN12 ZINC000799477255 631031120 /nfs/dbraw/zinc/03/11/20/631031120.db2.gz MXGUPQXEZCGOME-LLVKDONJSA-N 0 3 286.360 2.459 20 30 CEEDHN CCC(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)[C@@H]1C ZINC000985844122 631188046 /nfs/dbraw/zinc/18/80/46/631188046.db2.gz ITLFXRSUXCETPH-NHYWBVRUSA-N 0 3 289.354 2.186 20 30 CEEDHN CC#CC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000801148558 631226821 /nfs/dbraw/zinc/22/68/21/631226821.db2.gz IDRAFEPIPWEMAY-INIZCTEOSA-N 0 3 270.376 2.353 20 30 CEEDHN COc1ccc2c(c1)CCCN(CCO[C@@H](C)C#N)C2 ZINC000801917675 631352908 /nfs/dbraw/zinc/35/29/08/631352908.db2.gz LNBLUOLWAIVWFO-ZDUSSCGKSA-N 0 3 274.364 2.372 20 30 CEEDHN C[C@@H](C#N)OCCNC1(c2cccc(C#N)c2)CC1 ZINC000801938680 631363910 /nfs/dbraw/zinc/36/39/10/631363910.db2.gz HMNNTQQQHUWHAR-LBPRGKRZSA-N 0 3 255.321 2.066 20 30 CEEDHN C[C@H](C#N)OCCN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000801940039 631365799 /nfs/dbraw/zinc/36/57/99/631365799.db2.gz XPVSRVMYZXEDLA-IUODEOHRSA-N 0 3 278.327 2.207 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2nsc3ccccc32)C1 ZINC000988875387 631703497 /nfs/dbraw/zinc/70/34/97/631703497.db2.gz HECAAUQXXKDZJU-RYUDHWBXSA-N 0 3 299.399 2.122 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3ccncc3s2)C1 ZINC000988962584 631711773 /nfs/dbraw/zinc/71/17/73/631711773.db2.gz SHGRJFFYOKNICL-DGCLKSJQSA-N 0 3 299.399 2.122 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCc2ccc(C)cc2C)C1 ZINC000989250981 631757597 /nfs/dbraw/zinc/75/75/97/631757597.db2.gz CTVXDHORIFHHGZ-FUHWJXTLSA-N 0 3 298.430 2.448 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccn(C(C)C)c2C)C1 ZINC000989329689 631776955 /nfs/dbraw/zinc/77/69/55/631776955.db2.gz 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/nfs/dbraw/zinc/10/96/00/632109600.db2.gz YZQWVZHTLJIXKB-ZIAGYGMSSA-N 0 3 298.342 2.243 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cnc3ccccc3c2)C1 ZINC000989487340 632187938 /nfs/dbraw/zinc/18/79/38/632187938.db2.gz KLNOJPCKHBYZDH-CZUORRHYSA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc3scnc3c2)C1 ZINC000989635308 632215169 /nfs/dbraw/zinc/21/51/69/632215169.db2.gz LPORIWMZSSIAKE-DGCLKSJQSA-N 0 3 299.399 2.122 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3cccnc3s2)C1 ZINC000989642544 632216618 /nfs/dbraw/zinc/21/66/18/632216618.db2.gz IOGDSPYGIKOFQX-WCQYABFASA-N 0 3 299.399 2.122 20 30 CEEDHN Cc1cccc(CC(=O)C(C#N)C(=O)NC2CC2)c1Cl ZINC000810533017 632222857 /nfs/dbraw/zinc/22/28/57/632222857.db2.gz XSOCJNYVGBAYGD-LBPRGKRZSA-N 0 3 290.750 2.178 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1ccc(Cl)c(F)c1 ZINC000810533850 632223304 /nfs/dbraw/zinc/22/33/04/632223304.db2.gz XLGDYQVVUVKMJR-JTQLQIEISA-N 0 3 296.729 2.255 20 30 CEEDHN C=C(C)CN1CCCN(C(=O)CC[C@@H]2CC[C@H](C)O2)CC1 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CC(C)C[C@H](C#N)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000813124097 632631098 /nfs/dbraw/zinc/63/10/98/632631098.db2.gz UCIKHJIRZBELTL-IUODEOHRSA-N 0 3 283.391 2.253 20 30 CEEDHN C#CCOc1ccccc1CNCCO[C@@H]1CCCCO1 ZINC000813333460 632671945 /nfs/dbraw/zinc/67/19/45/632671945.db2.gz POQHTIFDPZLPRM-QGZVFWFLSA-N 0 3 289.375 2.331 20 30 CEEDHN CCN(CC)CC(=O)NCc1ccc(SC)c(C#N)c1 ZINC000899376470 632809654 /nfs/dbraw/zinc/80/96/54/632809654.db2.gz QEWXUJIDUDTLKR-UHFFFAOYSA-N 0 3 291.420 2.238 20 30 CEEDHN C#CCN(C(=S)NC(C)(C)CC)C1CCN(C)CC1 ZINC000899613427 632916262 /nfs/dbraw/zinc/91/62/62/632916262.db2.gz AHGHTJDNHAPZGF-UHFFFAOYSA-N 0 3 281.469 2.079 20 30 CEEDHN C#CCN(C(=S)Nc1ccccc1)C1CCN(C)CC1 ZINC000899613881 632920715 /nfs/dbraw/zinc/92/07/15/632920715.db2.gz RYEKTKAQXWMLIH-UHFFFAOYSA-N 0 3 287.432 2.413 20 30 CEEDHN Cn1nncc1N=NC1CN(Cc2ccccc2)C(C)(C)C1 ZINC000814979888 632945841 /nfs/dbraw/zinc/94/58/41/632945841.db2.gz UHKZSYUQSWXSCU-UHFFFAOYSA-N 0 3 298.394 2.268 20 30 CEEDHN N#CC1(CC(=O)O[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000815940562 633083685 /nfs/dbraw/zinc/08/36/85/633083685.db2.gz YUVAKUDCYVVQHK-OAHLLOKOSA-N 0 3 284.359 2.498 20 30 CEEDHN C=CCC(F)(F)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000816649686 633457242 /nfs/dbraw/zinc/45/72/42/633457242.db2.gz HKSJEVBVHBNRHB-RYUDHWBXSA-N 0 3 272.339 2.283 20 30 CEEDHN C=CCN1CCN(CN2CC[C@@H](C3CCCC3)C2)C1=O ZINC000817371239 633643226 /nfs/dbraw/zinc/64/32/26/633643226.db2.gz SPXQVXFJGGMKMB-OAHLLOKOSA-N 0 3 277.412 2.380 20 30 CEEDHN CC[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1OC ZINC000818065191 633851310 /nfs/dbraw/zinc/85/13/10/633851310.db2.gz KSOOKIGKLCGICG-KBPBESRZSA-N 0 3 289.379 2.284 20 30 CEEDHN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)[C@H](N)CCCC#N ZINC000818123601 633872242 /nfs/dbraw/zinc/87/22/42/633872242.db2.gz GFPNBVMIYJYMSB-CHWSQXEVSA-N 0 3 287.363 2.130 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C(C)=C/c1ccc(F)cc1 ZINC000818599295 633956445 /nfs/dbraw/zinc/95/64/45/633956445.db2.gz IAEUQOBXMXRARY-BUHFOSPRSA-N 0 3 288.366 2.300 20 30 CEEDHN N#CCC1(CNC[C@H](O)c2c(F)cccc2F)CC1 ZINC000819280312 634126977 /nfs/dbraw/zinc/12/69/77/634126977.db2.gz BGLIIIPEKMOGCY-LBPRGKRZSA-N 0 3 266.291 2.282 20 30 CEEDHN C#Cc1cccc(CNC[C@](C)(O)C(F)(F)F)c1 ZINC000819357610 634153206 /nfs/dbraw/zinc/15/32/06/634153206.db2.gz SYZOESGXSOSOGN-LBPRGKRZSA-N 0 3 257.255 2.071 20 30 CEEDHN CN1C[C@@H]2CCCN(c3snc(Cl)c3C#N)[C@@H]2C1 ZINC000819953063 634297080 /nfs/dbraw/zinc/29/70/80/634297080.db2.gz ITHOCVCGLXCECE-WCBMZHEXSA-N 0 3 282.800 2.199 20 30 CEEDHN CC(C)N1CCC[C@@H]1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000822016631 634837389 /nfs/dbraw/zinc/83/73/89/634837389.db2.gz BMOGUHIOLVTQNY-OAHLLOKOSA-N 0 3 289.354 2.186 20 30 CEEDHN CCC(CC)[C@H](O)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902799758 634839362 /nfs/dbraw/zinc/83/93/62/634839362.db2.gz GUJZNIUWXCDTFN-XHDPSFHLSA-N 0 3 261.369 2.401 20 30 CEEDHN CC[C@H](NC[C@@H](C)S(C)(=O)=O)c1cccc(C#N)c1 ZINC000902887570 634880334 /nfs/dbraw/zinc/88/03/34/634880334.db2.gz JWQAUYGBTTXBJR-RISCZKNCSA-N 0 3 280.393 2.032 20 30 CEEDHN CC[C@@H](NC(COC)COC)c1cccc(C#N)c1 ZINC000903010398 634937373 /nfs/dbraw/zinc/93/73/73/634937373.db2.gz LESIEKMGDOCYKZ-OAHLLOKOSA-N 0 3 262.353 2.260 20 30 CEEDHN CC[C@H](NC1CN(c2ccncn2)C1)c1cccc(C#N)c1 ZINC000903078428 634959085 /nfs/dbraw/zinc/95/90/85/634959085.db2.gz WYDJOQFTMQWXKI-INIZCTEOSA-N 0 3 293.374 2.278 20 30 CEEDHN N#CC1(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000903105233 634971999 /nfs/dbraw/zinc/97/19/99/634971999.db2.gz AYBOBSDWWVOTAH-VXGBXAGGSA-N 0 3 289.339 2.168 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H]1CCO[C@@]12CCOC2 ZINC000903091784 634974145 /nfs/dbraw/zinc/97/41/45/634974145.db2.gz ATIXQCZTGGYFQS-IAGOWNOFSA-N 0 3 289.375 2.289 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903154752 634991625 /nfs/dbraw/zinc/99/16/25/634991625.db2.gz WILTZJHVKBIFOQ-JQWIXIFHSA-N 0 3 280.324 2.191 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903154758 634991634 /nfs/dbraw/zinc/99/16/34/634991634.db2.gz WILTZJHVKBIFOQ-PWSUYJOCSA-N 0 3 280.324 2.191 20 30 CEEDHN CC(C)O[C@]1(CN[C@H](C)c2cc(C#N)ccn2)CCOC1 ZINC000903358743 635084123 /nfs/dbraw/zinc/08/41/23/635084123.db2.gz YVUIWFWKLOEXKY-CJNGLKHVSA-N 0 3 289.379 2.188 20 30 CEEDHN C#Cc1cccc(CNC(=O)CN(C)CC(C)(C)C)c1 ZINC000823446447 635179352 /nfs/dbraw/zinc/17/93/52/635179352.db2.gz GFEKSBYJKNIMFR-UHFFFAOYSA-N 0 3 272.392 2.262 20 30 CEEDHN N#CCOc1ccc(CN2CCC[C@H](n3ccnn3)C2)cc1 ZINC000823469108 635188057 /nfs/dbraw/zinc/18/80/57/635188057.db2.gz OUXNZHOCKLWBFP-HNNXBMFYSA-N 0 3 297.362 2.018 20 30 CEEDHN COc1nc(C#N)ncc1-c1ccc(CN(C)C)s1 ZINC000904858874 635743162 /nfs/dbraw/zinc/74/31/62/635743162.db2.gz MACRWTBIAUTYCX-UHFFFAOYSA-N 0 3 274.349 2.147 20 30 CEEDHN COc1ccc(OC)c(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905080878 635797221 /nfs/dbraw/zinc/79/72/21/635797221.db2.gz MXLMQDSATUOHIQ-JBBGTMGVSA-N 0 3 285.303 2.136 20 30 CEEDHN Cc1ccc(CNC[C@@H](O)CC(C)(C)C#N)c(Cl)n1 ZINC000905433600 636278570 /nfs/dbraw/zinc/27/85/70/636278570.db2.gz 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GBARODGGSRIBQO-AWEZNQCLSA-N 0 3 280.331 2.448 20 30 CEEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)NCCCCC)C1 ZINC000829773696 636926397 /nfs/dbraw/zinc/92/63/97/636926397.db2.gz IHYXJDONGNYGQO-GJZGRUSLSA-N 0 3 264.413 2.417 20 30 CEEDHN C#CC1CCN(C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000830316057 637033478 /nfs/dbraw/zinc/03/34/78/637033478.db2.gz CMQYXQXDYNIEMM-HNNXBMFYSA-N 0 3 265.303 2.343 20 30 CEEDHN C#CC1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000830316058 637034336 /nfs/dbraw/zinc/03/43/36/637034336.db2.gz CMQYXQXDYNIEMM-OAHLLOKOSA-N 0 3 265.303 2.343 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1c2ccccc2C[C@H]1C ZINC000876544577 650315341 /nfs/dbraw/zinc/31/53/41/650315341.db2.gz WKXHNFIOLZATJO-PWSUYJOCSA-N 0 3 264.756 2.434 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccccc1C ZINC000876554641 650323712 /nfs/dbraw/zinc/32/37/12/650323712.db2.gz RBFQGYLDZOJTQN-CYBMUJFWSA-N 0 3 266.772 2.423 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(C2CCCCC2)CC1 ZINC000908438371 637344706 /nfs/dbraw/zinc/34/47/06/637344706.db2.gz 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/nfs/dbraw/zinc/38/56/61/650385661.db2.gz QVOIBWONEDXYRI-CQSZACIVSA-N 0 3 278.783 2.084 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)COCC1CCCC1 ZINC000835057242 638042508 /nfs/dbraw/zinc/04/25/08/638042508.db2.gz RYLCSXXOFUWORM-CQSZACIVSA-N 0 3 294.395 2.208 20 30 CEEDHN C#CCCOc1ccc(CNC(C)(C)C(=O)NCC)cc1 ZINC000835076917 638050350 /nfs/dbraw/zinc/05/03/50/638050350.db2.gz XZAHAPQVMIFEKS-UHFFFAOYSA-N 0 3 288.391 2.093 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@](C)(CC)C1 ZINC000876666404 650388447 /nfs/dbraw/zinc/38/84/47/650388447.db2.gz QVFIFNVREDONIE-DGCLKSJQSA-N 0 3 258.793 2.495 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)CCC[C@H]1C ZINC000876670638 650391882 /nfs/dbraw/zinc/39/18/82/650391882.db2.gz OOAYCZYDBMTATC-JLLWLGSASA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCc2ccccc2C1 ZINC000876673290 650393520 /nfs/dbraw/zinc/39/35/20/650393520.db2.gz VYAGKRLJDRSWIP-WFASDCNBSA-N 0 3 292.810 2.378 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC000876682440 650397379 /nfs/dbraw/zinc/39/73/79/650397379.db2.gz IDWFCIFRGNUTEZ-MWLCHTKSSA-N 0 3 298.745 2.410 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000876686827 650398946 /nfs/dbraw/zinc/39/89/46/650398946.db2.gz BBRWTZVFJZIURU-ZIAGYGMSSA-N 0 3 294.782 2.056 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C)cc1OC ZINC000876687479 650399670 /nfs/dbraw/zinc/39/96/70/650399670.db2.gz PLRMTJVCXOMBAQ-GFCCVEGCSA-N 0 3 282.771 2.090 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CCC3(F)F)CCC[C@H]12 ZINC000991301166 638237775 /nfs/dbraw/zinc/23/77/75/638237775.db2.gz PYYDBLDGWIDBFA-MBNYWOFBSA-N 0 3 284.350 2.331 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1cnn(C)c1)C(C)(C)C ZINC000876701145 650405545 /nfs/dbraw/zinc/40/55/45/650405545.db2.gz NYDCOKIVIOGQRY-VXGBXAGGSA-N 0 3 298.818 2.093 20 30 CEEDHN C=CCOCCOC(=O)c1cccc(CN(C)C)c1 ZINC000835455551 638263251 /nfs/dbraw/zinc/26/32/51/638263251.db2.gz UMLXRIKJZYZCAW-UHFFFAOYSA-N 0 3 263.337 2.108 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000876712294 650407842 /nfs/dbraw/zinc/40/78/42/650407842.db2.gz FJGSYZFXWUMHLS-UWVGGRQHSA-N 0 3 292.770 2.210 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000876715345 650408464 /nfs/dbraw/zinc/40/84/64/650408464.db2.gz MHMCTPWEVFCNCG-LBPRGKRZSA-N 0 3 294.786 2.090 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C[C@H]3C=CCCC3)CCC[C@@H]12 ZINC000991326774 638290866 /nfs/dbraw/zinc/29/08/66/638290866.db2.gz DCHAJUTUIYQJJW-LZLYRXPVSA-N 0 3 286.419 2.479 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)[C@H](N)CCSC ZINC000912082338 638537527 /nfs/dbraw/zinc/53/75/27/638537527.db2.gz VESYTHYLOUNTOD-GFCCVEGCSA-N 0 3 284.450 2.343 20 30 CEEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccnn1C ZINC000912270002 638622502 /nfs/dbraw/zinc/62/25/02/638622502.db2.gz JXPJRZVPMFTMRJ-LBPRGKRZSA-N 0 3 266.389 2.437 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000836490295 638649035 /nfs/dbraw/zinc/64/90/35/638649035.db2.gz SNEJJGCGWRAUKE-KFWWJZLASA-N 0 3 279.428 2.018 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(OCC)cc1 ZINC000912320763 638650043 /nfs/dbraw/zinc/65/00/43/638650043.db2.gz IGTOUAZFKXFBML-HNNXBMFYSA-N 0 3 276.380 2.385 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N(C)c1ccc(F)cc1 ZINC000912495125 638701517 /nfs/dbraw/zinc/70/15/17/638701517.db2.gz CNBRENDZQZVGMH-ZDUSSCGKSA-N 0 3 250.317 2.472 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccc2c1CCCN2 ZINC000876851460 650459115 /nfs/dbraw/zinc/45/91/15/650459115.db2.gz KKJFJPRTAINFCY-CYBMUJFWSA-N 0 3 293.798 2.131 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000876880022 650470571 /nfs/dbraw/zinc/47/05/71/650470571.db2.gz YGZRJSUTBYJXFL-CABZTGNLSA-N 0 3 298.770 2.048 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3[nH]c(C)cc3C)CCC[C@@H]12 ZINC000991412668 639041141 /nfs/dbraw/zinc/04/11/41/639041141.db2.gz DMGPXDYXMODBOH-QAPCUYQASA-N 0 3 299.418 2.382 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000876874241 650467913 /nfs/dbraw/zinc/46/79/13/650467913.db2.gz BFUBRTKOILGVEO-JQWIXIFHSA-N 0 3 258.793 2.492 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccncc1)C1CC1 ZINC000876873833 650468087 /nfs/dbraw/zinc/46/80/87/650468087.db2.gz RNBGHIXTANUIFX-ZDUSSCGKSA-N 0 3 279.771 2.043 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCc2cccc(O)c21 ZINC000876875693 650468780 /nfs/dbraw/zinc/46/87/80/650468780.db2.gz XJRNTZQPFKPCDE-LLVKDONJSA-N 0 3 280.755 2.141 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(F)c(OC)c1 ZINC000876875602 650468857 /nfs/dbraw/zinc/46/88/57/650468857.db2.gz WXFPKZUMFNPZTN-SNVBAGLBSA-N 0 3 272.707 2.243 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000876887007 650473798 /nfs/dbraw/zinc/47/37/98/650473798.db2.gz HHVJEZQYEJVWKF-RWMBFGLXSA-N 0 3 282.746 2.268 20 30 CEEDHN Cc1ccccc1CN1CCCN(C(=O)C#CC2CC2)CC1 ZINC000837341170 639193404 /nfs/dbraw/zinc/19/34/04/639193404.db2.gz KWXOPBFKWRDTAC-UHFFFAOYSA-N 0 3 296.414 2.443 20 30 CEEDHN CN(CCOC(=O)c1ccc(C#N)[nH]1)Cc1ccccc1 ZINC000837683920 639341727 /nfs/dbraw/zinc/34/17/27/639341727.db2.gz HICJDBISYYZRMO-UHFFFAOYSA-N 0 3 283.331 2.175 20 30 CEEDHN C=C(C)CNC(=S)NC[C@@H](c1ccccc1)N(C)C ZINC000057435198 639447230 /nfs/dbraw/zinc/44/72/30/639447230.db2.gz YBTMIGLLEDDCDT-AWEZNQCLSA-N 0 3 277.437 2.330 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1C[C@H](CC)CC[C@H]1C ZINC000876970954 650512923 /nfs/dbraw/zinc/51/29/23/650512923.db2.gz HRAICCDLQMANML-IJLUTSLNSA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000876974488 650513936 /nfs/dbraw/zinc/51/39/36/650513936.db2.gz JAMBHHIMESANBQ-CHWSQXEVSA-N 0 3 270.804 2.495 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](OC)C1CCCCC1 ZINC000876975286 650514776 /nfs/dbraw/zinc/51/47/76/650514776.db2.gz FISATCVKIFIPSO-QWHCGFSZSA-N 0 3 288.819 2.168 20 30 CEEDHN CCCCCCCCN1CCCN(S(C)(=O)=O)CC1 ZINC000172649145 639782912 /nfs/dbraw/zinc/78/29/12/639782912.db2.gz ABLDPVJPDOYDJJ-UHFFFAOYSA-N 0 3 290.473 2.314 20 30 CEEDHN OC[C@H]1CCCN1N=Cc1ccccc1N1CCCCC1 ZINC000841662651 639829452 /nfs/dbraw/zinc/82/94/52/639829452.db2.gz NUQTXRGIOWDAFK-MRXNPFEDSA-N 0 3 287.407 2.468 20 30 CEEDHN C#CC[C@H](NC(=O)N1CCN[C@H](C)[C@H]1C)c1ccccc1 ZINC000841865159 639891125 /nfs/dbraw/zinc/89/11/25/639891125.db2.gz MBGYRXIJZIZCGS-FMKPAKJESA-N 0 3 285.391 2.143 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN[C@H](C)[C@H]1C ZINC000841900991 639902219 /nfs/dbraw/zinc/90/22/19/639902219.db2.gz DJKGJIXEOMSQAY-BFYDXBDKSA-N 0 3 299.418 2.013 20 30 CEEDHN CC[C@@H](C)[C@@](C)(O)CNCc1cc(C#N)cnc1Cl ZINC000877029528 650537913 /nfs/dbraw/zinc/53/79/13/650537913.db2.gz GDUAPJZDLYULAP-YGRLFVJLSA-N 0 3 281.787 2.493 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3csc(C)n3)CCC[C@H]12 ZINC000992137688 639970937 /nfs/dbraw/zinc/97/09/37/639970937.db2.gz OVTJYFGFYBAYGE-DZGCQCFKSA-N 0 3 291.420 2.364 20 30 CEEDHN CC(C)(C)C#CC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000877054221 650550760 /nfs/dbraw/zinc/55/07/60/650550760.db2.gz FAAWCVAKXDJILH-UHFFFAOYSA-N 0 3 272.348 2.157 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)Cc3ccccc3C)CCC[C@H]12 ZINC000992467029 640098380 /nfs/dbraw/zinc/09/83/80/640098380.db2.gz UDEDAZCVLCIENQ-PKOBYXMFSA-N 0 3 296.414 2.284 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3c[nH]cc3C)CCC[C@H]12 ZINC000992478376 640113248 /nfs/dbraw/zinc/11/32/48/640113248.db2.gz PIEJDBPISUJJJJ-RDJZCZTQSA-N 0 3 285.391 2.073 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCCC12CC2 ZINC000877118123 650580816 /nfs/dbraw/zinc/58/08/16/650580816.db2.gz NGAMLXXRHRXQFP-WDEREUQCSA-N 0 3 256.777 2.153 20 30 CEEDHN C#CC[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000843669783 640491531 /nfs/dbraw/zinc/49/15/31/640491531.db2.gz SJFHGFOYDAIXNO-PBHICJAKSA-N 0 3 294.414 2.461 20 30 CEEDHN COc1ccccc1CNCCNc1ccc(C#N)cn1 ZINC000915057682 640506355 /nfs/dbraw/zinc/50/63/55/640506355.db2.gz OEBOBWRLEROLAX-UHFFFAOYSA-N 0 3 282.347 2.164 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)COCC2CC2)c1 ZINC000193440296 640537083 /nfs/dbraw/zinc/53/70/83/640537083.db2.gz SRZTVQMEEHZVMG-CQSZACIVSA-N 0 3 286.331 2.069 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccoc2)[C@H]1C ZINC000993252196 640568803 /nfs/dbraw/zinc/56/88/03/640568803.db2.gz UNROXFFTXRZATN-HIFRSBDPSA-N 0 3 276.380 2.367 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC000993313909 640590248 /nfs/dbraw/zinc/59/02/48/640590248.db2.gz OOZAFGRAWAHIHS-ZBFHGGJFSA-N 0 3 274.408 2.479 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C2CC(C)(C)C2)[C@@H]1C ZINC000993327911 640608856 /nfs/dbraw/zinc/60/88/56/640608856.db2.gz LVLFIAGYRMQEPB-ZFWWWQNUSA-N 0 3 276.424 2.415 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(CCF)CC1 ZINC000877147934 650595987 /nfs/dbraw/zinc/59/59/87/650595987.db2.gz PICDWBADNZUINF-NSHDSACASA-N 0 3 262.756 2.055 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001015670798 640650325 /nfs/dbraw/zinc/65/03/25/640650325.db2.gz PXMJYDVPYUWIAS-UONOGXRCSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)cc(C)n2)[C@@H]1C ZINC000993496376 640650399 /nfs/dbraw/zinc/65/03/99/640650399.db2.gz ACPQTWXZPNNDNF-JKSUJKDBSA-N 0 3 299.418 2.304 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(CC[C@@H](C)F)C2)C1 ZINC001015675717 640664252 /nfs/dbraw/zinc/66/42/52/640664252.db2.gz CZBUMKHVRLNTDJ-OLZOCXBDSA-N 0 3 268.376 2.281 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C2CC3(CC3)C2)[C@H]1C ZINC000993815592 640679642 /nfs/dbraw/zinc/67/96/42/640679642.db2.gz JOXQVZIEFDREOK-UKRRQHHQSA-N 0 3 274.408 2.169 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844359929 640691706 /nfs/dbraw/zinc/69/17/06/640691706.db2.gz OCMNNASZMIFDTD-BBRMVZONSA-N 0 3 278.396 2.246 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccco2)[C@@H]1C ZINC000994059807 640692013 /nfs/dbraw/zinc/69/20/13/640692013.db2.gz UEGDSJQQQQYZJF-ZFWWWQNUSA-N 0 3 276.380 2.367 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2nccs2)[C@H]1C ZINC000994064491 640692047 /nfs/dbraw/zinc/69/20/47/640692047.db2.gz VZWKSBOIRUGLGE-VXGBXAGGSA-N 0 3 279.409 2.302 20 30 CEEDHN N#CC(C(=O)c1cc[n+]([O-])cc1)c1nc2ccccc2s1 ZINC000916627386 640793013 /nfs/dbraw/zinc/79/30/13/640793013.db2.gz QPADGNSJXYLCFM-NSHDSACASA-N 0 3 295.323 2.420 20 30 CEEDHN C#Cc1ccccc1CC(=O)N[C@H]1CCCN(CC=C)[C@@H]1C ZINC000994300708 640807491 /nfs/dbraw/zinc/80/74/91/640807491.db2.gz LJZTWQMVDUJDII-QAPCUYQASA-N 0 3 296.414 2.366 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2c[nH]cc2C)[C@H]1C ZINC000994424672 640832652 /nfs/dbraw/zinc/83/26/52/640832652.db2.gz FPKJBIVCSOCUCX-UKRRQHHQSA-N 0 3 275.396 2.482 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC001015760157 640848015 /nfs/dbraw/zinc/84/80/15/640848015.db2.gz LQXBDGJHFDYOQJ-MRXNPFEDSA-N 0 3 293.370 2.062 20 30 CEEDHN C=CCN1CCC(NC(=O)NC(C)(C)/C=C/Cl)CC1 ZINC000917137435 640856808 /nfs/dbraw/zinc/85/68/08/640856808.db2.gz PEQGHHFPWVHYAH-BQYQJAHWSA-N 0 3 285.819 2.467 20 30 CEEDHN N#Cc1ccccc1CNC[C@@H]1CC[C@@H](NC(=O)C2CC2)C1 ZINC000994614016 641064700 /nfs/dbraw/zinc/06/47/00/641064700.db2.gz NDILQQOLQREICD-CXAGYDPISA-N 0 3 297.402 2.343 20 30 CEEDHN N#Cc1cncc(CN2CC[C@H](C3CCOCC3)C2)c1 ZINC000930096892 641079261 /nfs/dbraw/zinc/07/92/61/641079261.db2.gz KZHXKKRWEOXHTJ-INIZCTEOSA-N 0 3 271.364 2.202 20 30 CEEDHN CC(C)CN(CCc1ccccc1)CC(=O)NCCC#N ZINC000921060855 641224455 /nfs/dbraw/zinc/22/44/55/641224455.db2.gz AUAOFRDTLDDNBW-UHFFFAOYSA-N 0 3 287.407 2.217 20 30 CEEDHN CC1(C)[C@H](O)C[C@@H]1NCc1cc(Cl)ccc1OCC#N ZINC000846959388 641499422 /nfs/dbraw/zinc/49/94/22/641499422.db2.gz LDAMRFREJILMSV-UONOGXRCSA-N 0 3 294.782 2.491 20 30 CEEDHN C#C[C@H]1CCCN(C[C@H]2CN(C3CCCCC3)C(=O)O2)C1 ZINC000847033685 641540784 /nfs/dbraw/zinc/54/07/84/641540784.db2.gz GFBWRIRCSOJSJU-HOCLYGCPSA-N 0 3 290.407 2.485 20 30 CEEDHN C=C[C@@H](C)ONC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000847392039 641653722 /nfs/dbraw/zinc/65/37/22/641653722.db2.gz KBMFAOVSLBJVOJ-GFCCVEGCSA-N 0 3 269.389 2.008 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)OC[C@H](C)N1CCCCC1 ZINC000847958628 641845876 /nfs/dbraw/zinc/84/58/76/641845876.db2.gz BZAOMUDBPWTSAX-KBPBESRZSA-N 0 3 269.385 2.385 20 30 CEEDHN CCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C(C)(C)C1 ZINC000995287001 641870038 /nfs/dbraw/zinc/87/00/38/641870038.db2.gz KDEGGBHOKIPJHV-ZDUSSCGKSA-N 0 3 291.420 2.356 20 30 CEEDHN C(CN1CCCCC1)NN=C1CCCN2CCCC[C@H]12 ZINC000848402814 641979045 /nfs/dbraw/zinc/97/90/45/641979045.db2.gz IEWDFVGJKBLHHC-MRXNPFEDSA-N 0 3 278.444 2.066 20 30 CEEDHN Cc1cc(NC(=O)[C@@H](N)CCCCC#N)ccc1N(C)C ZINC000848412132 641983086 /nfs/dbraw/zinc/98/30/86/641983086.db2.gz YBYFRTMVJQPBLN-AWEZNQCLSA-N 0 3 288.395 2.411 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](NCCF)C(C)(C)C1 ZINC000996139282 642091354 /nfs/dbraw/zinc/09/13/54/642091354.db2.gz XAQYFGITFJJEQG-GFCCVEGCSA-N 0 3 270.392 2.385 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001015944424 642094983 /nfs/dbraw/zinc/09/49/83/642094983.db2.gz KKQZMAPHKVUUGB-INIZCTEOSA-N 0 3 295.386 2.006 20 30 CEEDHN CC(C)(C)C1CCN(N=C2CCN(CCO)CC2)CC1 ZINC000819809891 642226853 /nfs/dbraw/zinc/22/68/53/642226853.db2.gz QWUMIPXJBKXTOO-UHFFFAOYSA-N 0 3 281.444 2.189 20 30 CEEDHN C=CC[C@H]1CCCN(C(=S)NC2CCN(C)CC2)C1 ZINC000849279590 642311700 /nfs/dbraw/zinc/31/17/00/642311700.db2.gz ASHNCBPMEYGCLD-ZDUSSCGKSA-N 0 3 281.469 2.243 20 30 CEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccncc2)CC1 ZINC000997907039 642337023 /nfs/dbraw/zinc/33/70/23/642337023.db2.gz FGXJCLNBBDAWRQ-INIZCTEOSA-N 0 3 285.391 2.031 20 30 CEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2ccccn2)CC1 ZINC000997909322 642337836 /nfs/dbraw/zinc/33/78/36/642337836.db2.gz PDCAZHVTCAOWGT-MRXNPFEDSA-N 0 3 299.418 2.422 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccco2)C1 ZINC000998376314 642398780 /nfs/dbraw/zinc/39/87/80/642398780.db2.gz UJTRJVPWTVPBQI-UHFFFAOYSA-N 0 3 268.744 2.225 20 30 CEEDHN Cc1cc(C)cc([C@@H](O)CNCc2cccc(C#N)n2)c1 ZINC000877503174 650754792 /nfs/dbraw/zinc/75/47/92/650754792.db2.gz DPKAWXBWDNPRSV-KRWDZBQOSA-N 0 3 281.359 2.393 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(F)c[nH]2)C1 ZINC000999127343 642459889 /nfs/dbraw/zinc/45/98/89/642459889.db2.gz CKNAZGYEUUXPKS-UHFFFAOYSA-N 0 3 285.750 2.099 20 30 CEEDHN C#CCN(C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)C(C)C ZINC000921678472 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650808341 /nfs/dbraw/zinc/80/83/41/650808341.db2.gz GXGLTGDCLXTMRJ-KRWDZBQOSA-N 0 3 281.359 2.293 20 30 CEEDHN C#CC1CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000877606840 650811690 /nfs/dbraw/zinc/81/16/90/650811690.db2.gz MOJZMRPVXREHEK-UHFFFAOYSA-N 0 3 267.376 2.469 20 30 CEEDHN CCCCCCCCOCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851649417 643108642 /nfs/dbraw/zinc/10/86/42/643108642.db2.gz YNMVIHURJPKRJK-ZIAGYGMSSA-N 0 3 288.407 2.261 20 30 CEEDHN N#C[C@H](c1ccccc1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000851726032 643129048 /nfs/dbraw/zinc/12/90/48/643129048.db2.gz LDTJQLBMWNNGHD-QZTJIDSGSA-N 0 3 299.418 2.438 20 30 CEEDHN N#Cc1ccc(CCN2CCCC[C@H]2C2OCCO2)cc1 ZINC000851749920 643145006 /nfs/dbraw/zinc/14/50/06/643145006.db2.gz RDQQABGHAGWRCC-INIZCTEOSA-N 0 3 286.375 2.328 20 30 CEEDHN C#CCOCCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000851820747 643181373 /nfs/dbraw/zinc/18/13/73/643181373.db2.gz GQBBVLVMZKRIFA-UHFFFAOYSA-N 0 3 281.359 2.302 20 30 CEEDHN C=C1CCC(CNCc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000922709416 643217784 /nfs/dbraw/zinc/21/77/84/643217784.db2.gz ADFLPDXDQPWVQQ-INIZCTEOSA-N 0 3 290.411 2.293 20 30 CEEDHN C=CCOc1ccccc1CNC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922728005 643227290 /nfs/dbraw/zinc/22/72/90/643227290.db2.gz JLPKQMZPIXYZJJ-VYDXJSESSA-N 0 3 289.375 2.145 20 30 CEEDHN C#CCN(Cc1ccccc1)C[C@H](OC)[C@@H]1CCOC1 ZINC000852044645 643276910 /nfs/dbraw/zinc/27/69/10/643276910.db2.gz HPTPTGXXIVSEQV-SJORKVTESA-N 0 3 273.376 2.173 20 30 CEEDHN C#CCOCCN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000852094581 643297717 /nfs/dbraw/zinc/29/77/17/643297717.db2.gz CCDPGWSAMRQYME-OAHLLOKOSA-N 0 3 279.767 2.443 20 30 CEEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000852099066 643302255 /nfs/dbraw/zinc/30/22/55/643302255.db2.gz CSRPFFXFRXUBLO-LRDDRELGSA-N 0 3 290.432 2.413 20 30 CEEDHN C#C[C@@](C)(CC)NCC(=O)NCCCc1ccccc1 ZINC000852098902 643302649 /nfs/dbraw/zinc/30/26/49/643302649.db2.gz YVSQXLIRIVISBB-KRWDZBQOSA-N 0 3 272.392 2.127 20 30 CEEDHN C#C[C@@](C)(CC)N[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000852101833 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ZINC000852362395 643408391 /nfs/dbraw/zinc/40/83/91/643408391.db2.gz ALIUFLZONXZTQD-INIZCTEOSA-N 0 3 299.418 2.340 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cccnc2C)CC1 ZINC001005916245 643556324 /nfs/dbraw/zinc/55/63/24/643556324.db2.gz ZLXHSCSHANAFSP-UHFFFAOYSA-N 0 3 273.380 2.112 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)C[C@H]2C[C@H]2C)CC1 ZINC001005929285 643565671 /nfs/dbraw/zinc/56/56/71/643565671.db2.gz JACRFCWKIONYMF-CHWSQXEVSA-N 0 3 250.386 2.141 20 30 CEEDHN Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc1C#N ZINC000923269540 643630116 /nfs/dbraw/zinc/63/01/16/643630116.db2.gz YEOVCMKKMJYZMC-JKSUJKDBSA-N 0 3 283.375 2.175 20 30 CEEDHN CC[C@H](C)NN=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853336981 643746940 /nfs/dbraw/zinc/74/69/40/643746940.db2.gz AMRCSIAXCBWQGN-ZDUSSCGKSA-N 0 3 275.396 2.370 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2ncoc2C2CC2)CC1 ZINC001006252796 643797294 /nfs/dbraw/zinc/79/72/94/643797294.db2.gz STNBOBNRTOTFQF-UHFFFAOYSA-N 0 3 289.379 2.274 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CC2CC(F)(F)C2)CC1 ZINC001016694270 643804810 /nfs/dbraw/zinc/80/48/10/643804810.db2.gz CYKDBHVEQFQZLL-ZDUSSCGKSA-N 0 3 296.361 2.026 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001016782565 643807225 /nfs/dbraw/zinc/80/72/25/643807225.db2.gz YTWLOBCWWWVWSL-KBPBESRZSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCc2ccc(C)cc21 ZINC000838622274 643980445 /nfs/dbraw/zinc/98/04/45/643980445.db2.gz BFGYWCDYPBPOFV-UHFFFAOYSA-N 0 3 285.391 2.022 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)C1CC1 ZINC000838803100 644016846 /nfs/dbraw/zinc/01/68/46/644016846.db2.gz WYCMHHCRESKDMC-MRXNPFEDSA-N 0 3 256.349 2.317 20 30 CEEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1cc(F)ncc1F)C2 ZINC000877767277 650903140 /nfs/dbraw/zinc/90/31/40/650903140.db2.gz XXPXFVJGPQIZNN-AWEZNQCLSA-N 0 3 285.297 2.488 20 30 CEEDHN CCN(C(=O)c1cc(C#N)ccc1F)[C@@H]1CCN(CC)C1 ZINC000855487869 644369446 /nfs/dbraw/zinc/36/94/46/644369446.db2.gz ZSXVODFYLXEQFG-CYBMUJFWSA-N 0 3 289.354 2.254 20 30 CEEDHN C[C@H]1CCCN1CCNC(=O)c1c(F)cc(C#N)cc1F ZINC000755440748 644518780 /nfs/dbraw/zinc/51/87/80/644518780.db2.gz VZLAHHBLPWUIMJ-JTQLQIEISA-N 0 3 293.317 2.051 20 30 CEEDHN C=CCCO[N-]C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000856032815 644548561 /nfs/dbraw/zinc/54/85/61/644548561.db2.gz RPCOYHVVWHVOEN-CYBMUJFWSA-N 0 3 266.385 2.265 20 30 CEEDHN C=CCCO[N-]C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000856032815 644548564 /nfs/dbraw/zinc/54/85/64/644548564.db2.gz RPCOYHVVWHVOEN-CYBMUJFWSA-N 0 3 266.385 2.265 20 30 CEEDHN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(N)cc1C ZINC000758120966 644884200 /nfs/dbraw/zinc/88/42/00/644884200.db2.gz XCUHKVWFAZNRSN-HUUCEWRRSA-N 0 3 285.395 2.161 20 30 CEEDHN Cn1nccc1[C@@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000877975024 650964308 /nfs/dbraw/zinc/96/43/08/650964308.db2.gz BSBNHVZEPUDRDV-CYBMUJFWSA-N 0 3 258.369 2.293 20 30 CEEDHN C#Cc1ccc(-c2ccccc2CN2CCN(C)CC2)cn1 ZINC000857833616 644975323 /nfs/dbraw/zinc/97/53/23/644975323.db2.gz VCJMPLMNFWCFPP-UHFFFAOYSA-N 0 3 291.398 2.477 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccns2)CC1 ZINC000858236167 645095920 /nfs/dbraw/zinc/09/59/20/645095920.db2.gz CJMLHOSPHSWRAY-NSHDSACASA-N 0 3 294.424 2.154 20 30 CEEDHN C#CC[C@H](COC)NCc1cccc(OC(F)F)c1 ZINC000858335807 645124053 /nfs/dbraw/zinc/12/40/53/645124053.db2.gz IKCUJSBOPRBCKC-GFCCVEGCSA-N 0 3 269.291 2.416 20 30 CEEDHN C#CC[C@@H](COC)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000858335784 645124261 /nfs/dbraw/zinc/12/42/61/645124261.db2.gz GWBWEVGYDMHHRD-PIZKADEWSA-N 0 3 274.320 2.236 20 30 CEEDHN C=C1CCN(C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000878087663 650993697 /nfs/dbraw/zinc/99/36/97/650993697.db2.gz UAUANTGIKPFVPV-CQSZACIVSA-N 0 3 251.370 2.224 20 30 CEEDHN C#CC1CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000858872313 645277793 /nfs/dbraw/zinc/27/77/93/645277793.db2.gz SOUFDEXWYRIEJC-INIZCTEOSA-N 0 3 289.423 2.058 20 30 CEEDHN CCCOC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000858902894 645289357 /nfs/dbraw/zinc/28/93/57/645289357.db2.gz GRZQUAKVUYTQRO-UHFFFAOYSA-N 0 3 289.379 2.468 20 30 CEEDHN CCCCCCN(C)CC(=O)N[C@H](CC)CC#N ZINC000762723797 645444888 /nfs/dbraw/zinc/44/48/88/645444888.db2.gz ZYPGTYXQVJIJFH-CYBMUJFWSA-N 0 3 253.390 2.307 20 30 CEEDHN C[C@H](CN(C)CC(=O)NCCC#N)C1CCCCC1 ZINC000859862745 645636974 /nfs/dbraw/zinc/63/69/74/645636974.db2.gz QXJTWJUCXVOARF-CYBMUJFWSA-N 0 3 265.401 2.164 20 30 CEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000860478685 645801567 /nfs/dbraw/zinc/80/15/67/645801567.db2.gz ZMZUAGOAMQNRHS-UPJWGTAASA-N 0 3 286.331 2.151 20 30 CEEDHN CC(C)(C#N)c1ccccc1CNC1(C(N)=O)CCCC1 ZINC000767900951 646053122 /nfs/dbraw/zinc/05/31/22/646053122.db2.gz QHQYQNZJOYHEHC-UHFFFAOYSA-N 0 3 285.391 2.375 20 30 CEEDHN CCCC[C@@H](ON=C(C)C)C(=O)N1CCNC(C)(C)C1 ZINC000768224494 646098087 /nfs/dbraw/zinc/09/80/87/646098087.db2.gz PWNWAMNPWWPCQS-CYBMUJFWSA-N 0 3 283.416 2.168 20 30 CEEDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)CCCCCC#N)C1 ZINC000861354637 646145432 /nfs/dbraw/zinc/14/54/32/646145432.db2.gz XTRPVFGLXXPWLU-ZFWWWQNUSA-N 0 3 282.384 2.113 20 30 CEEDHN C=C(C)C(C)(C)C(=O)OC[C@@]1(C)C[C@@H](OC)CN1C ZINC000861355607 646146659 /nfs/dbraw/zinc/14/66/59/646146659.db2.gz CYMGQOFBQBLTQL-IUODEOHRSA-N 0 3 269.385 2.241 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1CCc2ccccc2CC1 ZINC000861838550 646278510 /nfs/dbraw/zinc/27/85/10/646278510.db2.gz HUHMMYLYORRPSE-UHFFFAOYSA-N 0 3 298.430 2.253 20 30 CEEDHN C#CC[C@@H]1CCN(Cc2c(Cl)n(C)nc2CC)C1 ZINC000862444431 646462336 /nfs/dbraw/zinc/46/23/36/646462336.db2.gz AEFJAECDSGGAMR-LLVKDONJSA-N 0 3 265.788 2.481 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc(OC)c2C)CC1 ZINC000862773335 646564317 /nfs/dbraw/zinc/56/43/17/646564317.db2.gz AVCXKVIUSCHWMA-UHFFFAOYSA-N 0 3 286.375 2.287 20 30 CEEDHN Fc1ccccc1CCNN=C1CN2C[C@@H]1CCC2 ZINC000863100321 646635060 /nfs/dbraw/zinc/63/50/60/646635060.db2.gz WIHUKEKETASCFB-ZDUSSCGKSA-N 0 3 261.344 2.039 20 30 CEEDHN N#CC(C(=O)Cc1ccco1)C(=O)Nc1ccccc1 ZINC000772647480 646654200 /nfs/dbraw/zinc/65/42/00/646654200.db2.gz YTGANHKDJCCKCS-CYBMUJFWSA-N 0 3 268.272 2.170 20 30 CEEDHN Cc1cc(Cl)nc(CNC[C@H](O)CC2(C#N)CC2)c1 ZINC000863554569 646755250 /nfs/dbraw/zinc/75/52/50/646755250.db2.gz CFGIPFHUEMIRRK-GFCCVEGCSA-N 0 3 279.771 2.188 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000119599554 646791678 /nfs/dbraw/zinc/79/16/78/646791678.db2.gz SFBXGRLWGLTVRQ-GXTWGEPZSA-N 0 3 286.331 2.315 20 30 CEEDHN C#C[C@H](C)N(C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000775182554 646928723 /nfs/dbraw/zinc/92/87/23/646928723.db2.gz CMYBLGOZYKEIIT-LBPRGKRZSA-N 0 3 256.349 2.049 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)[C@]2(C#N)CCCOC2)c1 ZINC000864846743 647119758 /nfs/dbraw/zinc/11/97/58/647119758.db2.gz KFQDVBRIZXXFOC-INIZCTEOSA-N 0 3 287.363 2.007 20 30 CEEDHN C=CCNC(=O)CN[C@H](CC)c1ccc2c(c1)CCCO2 ZINC000777317089 647126063 /nfs/dbraw/zinc/12/60/63/647126063.db2.gz ZCHHAYZRARXDRG-OAHLLOKOSA-N 0 3 288.391 2.355 20 30 CEEDHN CN(CCN1CCCC1)c1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865508861 647332019 /nfs/dbraw/zinc/33/20/19/647332019.db2.gz MVFWKGKDKGBLIK-UHFFFAOYSA-N 0 3 292.314 2.138 20 30 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ZINC001266954845 803018039 /nfs/dbraw/zinc/01/80/39/803018039.db2.gz DQQKCFNWIDIOKR-AWEZNQCLSA-N 0 3 264.413 2.320 20 30 CEEDHN CC#CCN[C@@H](C)CNC(=O)c1cccc(C)c1C ZINC001266989797 803041745 /nfs/dbraw/zinc/04/17/45/803041745.db2.gz QYBHYFQSCLVXNY-ZDUSSCGKSA-N 0 3 258.365 2.035 20 30 CEEDHN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1cnc(C)cn1 ZINC001133885243 813169077 /nfs/dbraw/zinc/16/90/77/813169077.db2.gz YCDKEUDMYJXPBB-CHWSQXEVSA-N 0 3 290.411 2.124 20 30 CEEDHN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1ocnc1C ZINC001133885054 813169319 /nfs/dbraw/zinc/16/93/19/813169319.db2.gz WPOGYZWVBTUNAS-VXGBXAGGSA-N 0 3 279.384 2.322 20 30 CEEDHN C#CCCCCC(=O)N1CCC[C@H](N(C)CC#CC)C1 ZINC001267103134 803129697 /nfs/dbraw/zinc/12/96/97/803129697.db2.gz SYRRVBNXQZDWEF-INIZCTEOSA-N 0 3 274.408 2.126 20 30 CEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@H](CC)SC)C1 ZINC001267103009 803129931 /nfs/dbraw/zinc/12/99/31/803129931.db2.gz QVMGIDGSOVEKHA-KGLIPLIRSA-N 0 3 282.453 2.074 20 30 CEEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)C(C)(C)C(F)F)C1 ZINC001267110410 803136157 /nfs/dbraw/zinc/13/61/57/803136157.db2.gz BRQUCMMUCBUPMX-GFCCVEGCSA-N 0 3 286.366 2.224 20 30 CEEDHN C=CCN(C)CCNC(=O)c1ccnn1C(CC)CC ZINC001267198906 803223442 /nfs/dbraw/zinc/22/34/42/803223442.db2.gz CWXXINNDSWCVCS-UHFFFAOYSA-N 0 3 278.400 2.092 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001267205407 803231079 /nfs/dbraw/zinc/23/10/79/803231079.db2.gz YVPMSNNBTXNRAB-RDBSUJKOSA-N 0 3 250.386 2.047 20 30 CEEDHN C=C1CC(C)(C(=O)NCCN(C)CCOCC2CCC2)C1 ZINC001267214540 803238874 /nfs/dbraw/zinc/23/88/74/803238874.db2.gz BJLXLNSBYCTXIM-UHFFFAOYSA-N 0 3 294.439 2.207 20 30 CEEDHN C#CCCN(C)CCNC(=O)c1cc2cc(F)ccc2o1 ZINC001267219958 803244828 /nfs/dbraw/zinc/24/48/28/803244828.db2.gz DBFFCWLDEYAYHG-UHFFFAOYSA-N 0 3 288.322 2.257 20 30 CEEDHN C#CCCN(C)CCNC(=O)[C@@H](C)c1ccccc1F ZINC001267223873 803249156 /nfs/dbraw/zinc/24/91/56/803249156.db2.gz SBIWNZXVTZQAPO-ZDUSSCGKSA-N 0 3 276.355 2.001 20 30 CEEDHN C#CCCN(C)CCNC(=O)CCc1cc(C)cc(C)c1 ZINC001267225043 803251604 /nfs/dbraw/zinc/25/16/04/803251604.db2.gz OYSJWFHAQMCAJN-UHFFFAOYSA-N 0 3 286.419 2.307 20 30 CEEDHN C=CCN(CC)CCNC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC001267253526 803296745 /nfs/dbraw/zinc/29/67/45/803296745.db2.gz NTSHAWLFRXCMIH-HIFRSBDPSA-N 0 3 252.402 2.293 20 30 CEEDHN C=C(C)CCC(=O)NC[C@H]1CCCN1CCOC1CCC1 ZINC001267268811 803313629 /nfs/dbraw/zinc/31/36/29/803313629.db2.gz GLKJKSSTLDPRKS-OAHLLOKOSA-N 0 3 294.439 2.492 20 30 CEEDHN C=CCN(CCNC(=O)c1oc(CCC)nc1C)C1CC1 ZINC001267336846 803382509 /nfs/dbraw/zinc/38/25/09/803382509.db2.gz ZNEGWMOTKINDSP-UHFFFAOYSA-N 0 3 291.395 2.316 20 30 CEEDHN C=CCN[C@@H](CNC(=O)c1c[nH]nc1CC)c1ccccc1 ZINC001267361670 803409073 /nfs/dbraw/zinc/40/90/73/803409073.db2.gz FNEAMBIZTKXLND-INIZCTEOSA-N 0 3 298.390 2.219 20 30 CEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@H]1C ZINC001104513272 803451991 /nfs/dbraw/zinc/45/19/91/803451991.db2.gz QOAFGAVUSPYVSD-UNJBNNCHSA-N 0 3 284.831 2.469 20 30 CEEDHN Cc1coc(C(=O)N(C)CCNCc2ccc(C#N)cc2)c1 ZINC001267416550 803462028 /nfs/dbraw/zinc/46/20/28/803462028.db2.gz BEEDFLRXEPOZMJ-UHFFFAOYSA-N 0 3 297.358 2.322 20 30 CEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CCCC1 ZINC001087268781 803489696 /nfs/dbraw/zinc/48/96/96/803489696.db2.gz WTMZFMKUDLMOJL-OWCLPIDISA-N 0 3 288.435 2.415 20 30 CEEDHN C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OC[C@@H]1CNCCO1 ZINC001217896955 803490755 /nfs/dbraw/zinc/49/07/55/803490755.db2.gz MNGZFBQDPFRHAW-AJNGGQMLSA-N 0 3 253.386 2.372 20 30 CEEDHN N#Cc1csc(CN[C@@H]2CCCSCC2)n1 ZINC000692483467 803501905 /nfs/dbraw/zinc/50/19/05/803501905.db2.gz BKPZGGXHEBKRAM-SECBINFHSA-N 0 3 253.396 2.390 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H]2CCCO2)C1 ZINC001267538984 803535460 /nfs/dbraw/zinc/53/54/60/803535460.db2.gz KZTNRCLXFGSLGL-LSDHHAIUSA-N 0 3 280.412 2.054 20 30 CEEDHN C=CCCCC(=O)N1CC[C@@H](CN(C)CCF)C1 ZINC001267590236 803576255 /nfs/dbraw/zinc/57/62/55/803576255.db2.gz UTEJFHICAYVQSJ-ZDUSSCGKSA-N 0 3 256.365 2.093 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C(CC)CC)C1 ZINC001267611252 803614309 /nfs/dbraw/zinc/61/43/09/803614309.db2.gz LYTVEAYOCCEBKB-CQSZACIVSA-N 0 3 250.386 2.027 20 30 CEEDHN CCCCCCCN1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001267659730 803646897 /nfs/dbraw/zinc/64/68/97/803646897.db2.gz CAUVBQJYVVTRFV-HNNXBMFYSA-N 0 3 295.471 2.099 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cccc(CC)n1 ZINC001038352743 803677751 /nfs/dbraw/zinc/67/77/51/803677751.db2.gz OVMQONGJWWERGB-OAHLLOKOSA-N 0 3 287.407 2.414 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)CCCC)C[C@H]1C(F)(F)F ZINC001112050035 803692335 /nfs/dbraw/zinc/69/23/35/803692335.db2.gz OARYSFAMRPXEGG-GHMZBOCLSA-N 0 3 278.318 2.342 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)CCc2ccsc2)C1 ZINC001267769112 803722283 /nfs/dbraw/zinc/72/22/83/803722283.db2.gz XYYOADUIYCSPKP-HNNXBMFYSA-N 0 3 290.432 2.237 20 30 CEEDHN C=CCCC[NH2+][C@@H](CC)CNC(=O)c1ccccc1[O-] ZINC001267796516 803739400 /nfs/dbraw/zinc/73/94/00/803739400.db2.gz QJVAREQQNBHABN-ZDUSSCGKSA-N 0 3 276.380 2.456 20 30 CEEDHN CCC(=O)N1C[C@H](NCC#Cc2ccccc2)C[C@@H]1C ZINC001283951739 803833926 /nfs/dbraw/zinc/83/39/26/803833926.db2.gz URQJHPHXQQNRIV-GOEBONIOSA-N 0 3 270.376 2.027 20 30 CEEDHN C=C1CC(C)(C(=O)NC[C@H](C)CNCc2cc(C)no2)C1 ZINC001268002180 803905927 /nfs/dbraw/zinc/90/59/27/803905927.db2.gz QTMVFTRAIPRMHT-GFCCVEGCSA-N 0 3 291.395 2.181 20 30 CEEDHN N#CC(C(=O)C=Cc1ccco1)C(=O)Nc1ccccn1 ZINC000125152310 803987042 /nfs/dbraw/zinc/98/70/42/803987042.db2.gz DTYNYDADEZIVQU-SYTKJHMZSA-N 0 3 281.271 2.035 20 30 CEEDHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccn2C(C)C)C1 ZINC001284030026 803993432 /nfs/dbraw/zinc/99/34/32/803993432.db2.gz GIOXSHKGZHJIHA-LSDHHAIUSA-N 0 3 287.407 2.285 20 30 CEEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC001027261450 804002092 /nfs/dbraw/zinc/00/20/92/804002092.db2.gz ZLSIHQUTCGESRO-KRWDZBQOSA-N 0 3 297.402 2.391 20 30 CEEDHN CCC(=O)N1CCC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001027257403 804003184 /nfs/dbraw/zinc/00/31/84/804003184.db2.gz VODXAGHSBHOICR-INIZCTEOSA-N 0 3 285.391 2.391 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(C)s2)C1 ZINC001027275524 804016424 /nfs/dbraw/zinc/01/64/24/804016424.db2.gz RPATVFNMSRBXPW-ZDUSSCGKSA-N 0 3 276.405 2.226 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2sccc2F)C1 ZINC001027394299 804061596 /nfs/dbraw/zinc/06/15/96/804061596.db2.gz KCYFUJQNAFVMBA-NSHDSACASA-N 0 3 280.368 2.057 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C)cs2)C1 ZINC001027402945 804063480 /nfs/dbraw/zinc/06/34/80/804063480.db2.gz WKNJBQNQSLDTRF-CYBMUJFWSA-N 0 3 276.405 2.226 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c(C)cc(C)nc2C)C1 ZINC001027501101 804092775 /nfs/dbraw/zinc/09/27/75/804092775.db2.gz RPMOCMQSWRCJFL-MRXNPFEDSA-N 0 3 299.418 2.176 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc[nH]c2C2CC2)C1 ZINC001027545967 804115792 /nfs/dbraw/zinc/11/57/92/804115792.db2.gz JUQQGAVYQYXFME-CQSZACIVSA-N 0 3 285.391 2.062 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001027694934 804199568 /nfs/dbraw/zinc/19/95/68/804199568.db2.gz CQSMKZOFYPONTJ-GQGLESIBSA-N 0 3 288.435 2.369 20 30 CEEDHN Cc1noc(C2CC2)c1NC(=O)[C@H](N)CCCCC#N ZINC001118322604 815004257 /nfs/dbraw/zinc/00/42/57/815004257.db2.gz LBZJIPQSCGORCI-LLVKDONJSA-N 0 3 276.340 2.210 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cscc1C ZINC001027814408 804270681 /nfs/dbraw/zinc/27/06/81/804270681.db2.gz MWPLBRAOCPGIGD-CYBMUJFWSA-N 0 3 276.405 2.274 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1CC(F)(F)C1 ZINC001038151042 804354678 /nfs/dbraw/zinc/35/46/78/804354678.db2.gz NXSGKWSIPUROGT-GFCCVEGCSA-N 0 3 272.339 2.188 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001027971219 804371235 /nfs/dbraw/zinc/37/12/35/804371235.db2.gz CBUWEDUGPJKTRC-ISXOHVOVSA-N 0 3 274.408 2.171 20 30 CEEDHN C[C@@H](C#N)C(=O)N1CCCN([C@H]2CCc3ccccc32)CC1 ZINC000980850827 804385223 /nfs/dbraw/zinc/38/52/23/804385223.db2.gz XOJZBQDBIBOXBR-YOEHRIQHSA-N 0 3 297.402 2.368 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccn(C)c1CC ZINC001028136190 804487370 /nfs/dbraw/zinc/48/73/70/804487370.db2.gz IWRGYZQULWUETK-CQSZACIVSA-N 0 3 289.423 2.358 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccn(C(C)C)n1 ZINC001028176351 804515671 /nfs/dbraw/zinc/51/56/71/804515671.db2.gz CQKKRIUKDIRQQJ-CQSZACIVSA-N 0 3 290.411 2.234 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001028192704 804526638 /nfs/dbraw/zinc/52/66/38/804526638.db2.gz QFGOHZTUWPIHJH-SOUVJXGZSA-N 0 3 262.397 2.189 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccn2ccnc12 ZINC001028198334 804536033 /nfs/dbraw/zinc/53/60/33/804536033.db2.gz DSNNLHRITMHFSE-CQSZACIVSA-N 0 3 298.390 2.105 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@H](C)C3CCC3)C2)C1 ZINC001041399682 804567673 /nfs/dbraw/zinc/56/76/73/804567673.db2.gz QDYDUOHTGYCTMI-CRAIPNDOSA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(CCC)n[nH]1 ZINC001268385792 804646213 /nfs/dbraw/zinc/64/62/13/804646213.db2.gz WLQMMZCKJCTBLC-NSHDSACASA-N 0 3 298.818 2.213 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CC2CCCC2)C1 ZINC001149081833 815029508 /nfs/dbraw/zinc/02/95/08/815029508.db2.gz FQVSRJJYOFHQQX-MRXNPFEDSA-N 0 3 294.439 2.350 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)CC2CCCCC2)[C@@H](O)C1 ZINC001083327279 804686698 /nfs/dbraw/zinc/68/66/98/804686698.db2.gz LYNZACLZBQNBRW-CVEARBPZSA-N 0 3 294.439 2.084 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cccn1C(C)C ZINC001028321283 804712324 /nfs/dbraw/zinc/71/23/24/804712324.db2.gz DTIKSLSUBDFBQS-OAHLLOKOSA-N 0 3 287.407 2.287 20 30 CEEDHN C#CCNCCN(CC)C(=O)c1ccccc1C1(C)CC1 ZINC001268479848 804725410 /nfs/dbraw/zinc/72/54/10/804725410.db2.gz VNVUOTZTGLUDAW-UHFFFAOYSA-N 0 3 284.403 2.423 20 30 CEEDHN CC#CCNC/C=C/CNC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001268548137 804817759 /nfs/dbraw/zinc/81/77/59/804817759.db2.gz MDOLQTZNSWULNQ-IHVVCDCBSA-N 0 3 284.350 2.097 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2sccc2Cl)C1 ZINC001028558651 804836705 /nfs/dbraw/zinc/83/67/05/804836705.db2.gz RIFIDFNQIYXDJH-LLVKDONJSA-N 0 3 296.823 2.477 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)[C@@H]2C1 ZINC001075656921 804862533 /nfs/dbraw/zinc/86/25/33/804862533.db2.gz IMKHBOCCAPAGBJ-AALSBFMBSA-N 0 3 274.408 2.141 20 30 CEEDHN C#CCNC/C=C/CNC(=O)c1ccc(C(C)C)nc1CC ZINC001268592604 804862579 /nfs/dbraw/zinc/86/25/79/804862579.db2.gz IGBHRGVDEVKARA-BQYQJAHWSA-N 0 3 299.418 2.276 20 30 CEEDHN C=CCOCc1nn(C)c2c1CN([C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167935068 804869468 /nfs/dbraw/zinc/86/94/68/804869468.db2.gz JIQBXDCEBUHTBN-WDNDVIMCSA-N 0 3 287.407 2.279 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C3CC(F)(F)C3)[C@@H]2C1 ZINC001075673017 804883342 /nfs/dbraw/zinc/88/33/42/804883342.db2.gz OUVUDAKJUIERIO-WCQYABFASA-N 0 3 284.350 2.141 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2oc(C(F)F)cc2C)C1 ZINC001028606482 804906594 /nfs/dbraw/zinc/90/65/94/804906594.db2.gz UMCUNKVVYRWNGP-LLVKDONJSA-N 0 3 296.317 2.211 20 30 CEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc(C(C)(C)C)on1 ZINC001268738625 804951092 /nfs/dbraw/zinc/95/10/92/804951092.db2.gz HRSUZQKRWGRFOB-LLVKDONJSA-N 0 3 279.384 2.208 20 30 CEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cccc(-n2cccn2)c1 ZINC001268750334 804958378 /nfs/dbraw/zinc/95/83/78/804958378.db2.gz LPIOFROOCNUNLD-AWEZNQCLSA-N 0 3 298.390 2.108 20 30 CEEDHN C#CC[C@@H](CCOC)NCc1ccc(C#N)cc1F ZINC001118806060 815046460 /nfs/dbraw/zinc/04/64/60/815046460.db2.gz MQUVWKCYPCCFIA-AWEZNQCLSA-N 0 3 260.312 2.215 20 30 CEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001269062028 805038996 /nfs/dbraw/zinc/03/89/96/805038996.db2.gz XODWJICPGITUNA-CABCVRRESA-N 0 3 294.439 2.206 20 30 CEEDHN C=CCOCCN1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001269062030 805039180 /nfs/dbraw/zinc/03/91/80/805039180.db2.gz XODWJICPGITUNA-GJZGRUSLSA-N 0 3 294.439 2.206 20 30 CEEDHN C=CCOCCN1CC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001269104381 805048395 /nfs/dbraw/zinc/04/83/95/805048395.db2.gz NTSZPLXCJUVAFF-MRXNPFEDSA-N 0 3 294.439 2.350 20 30 CEEDHN CCCCCN1CC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001269235080 805095996 /nfs/dbraw/zinc/09/59/96/805095996.db2.gz HGLXJFSHXNSLEP-CQSZACIVSA-N 0 3 264.413 2.417 20 30 CEEDHN C=CCOCCN1CC[C@H](N(CC)C(=O)CC(C)C)C1 ZINC001269307237 805123373 /nfs/dbraw/zinc/12/33/73/805123373.db2.gz PBALBOWUUREHAG-HNNXBMFYSA-N 0 3 282.428 2.158 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)C1(CC=C)CCOCC1 ZINC001269339167 805135093 /nfs/dbraw/zinc/13/50/93/805135093.db2.gz WZMZJELPGIQLDJ-HNNXBMFYSA-N 0 3 292.423 2.126 20 30 CEEDHN CC#CCNC1(CNC(=O)[C@@H]2CCC=CCCC2)CC1 ZINC001269437854 805163785 /nfs/dbraw/zinc/16/37/85/805163785.db2.gz WFVHEBVREKXXQE-OAHLLOKOSA-N 0 3 274.408 2.385 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001028749379 805203334 /nfs/dbraw/zinc/20/33/34/805203334.db2.gz IPAOYTGPSYOTPU-LSDHHAIUSA-N 0 3 276.424 2.274 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2csc(Cl)c2)C1 ZINC001028847304 805306412 /nfs/dbraw/zinc/30/64/12/805306412.db2.gz DHFRIYDCXCVCAC-JTQLQIEISA-N 0 3 282.796 2.086 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccccc2Cl)C1 ZINC001028944037 805374434 /nfs/dbraw/zinc/37/44/34/805374434.db2.gz QYYJGSZROVSQER-ZDUSSCGKSA-N 0 3 290.794 2.415 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2cc(CC)c(C)s2)C1 ZINC001028973975 805396064 /nfs/dbraw/zinc/39/60/64/805396064.db2.gz XBIXAGKTMOSENA-CYBMUJFWSA-N 0 3 290.432 2.304 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2cccn2C(C)C)C1 ZINC001028986723 805406578 /nfs/dbraw/zinc/40/65/78/805406578.db2.gz PNRKMFTULQKQNK-OAHLLOKOSA-N 0 3 287.407 2.144 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2coc3ccccc23)C1 ZINC001029018918 805441090 /nfs/dbraw/zinc/44/10/90/805441090.db2.gz BRFRRFXBRAKDPN-ZDUSSCGKSA-N 0 3 282.343 2.118 20 30 CEEDHN CC(C)[C@H](Cc1ccccc1)NC(=O)[C@H](N)CCCC#N ZINC001119322284 815091475 /nfs/dbraw/zinc/09/14/75/815091475.db2.gz NTNHZDMJUOXHQT-CVEARBPZSA-N 0 3 287.407 2.391 20 30 CEEDHN C#CCN1CC[C@@]2(CNC(=O)c3ccccc3)CCC[C@@H]12 ZINC001094352372 815092695 /nfs/dbraw/zinc/09/26/95/815092695.db2.gz TZAKTOCXQPRSPM-SJLPKXTDSA-N 0 3 282.387 2.294 20 30 CEEDHN CC[C@H](C)[C@H]([NH2+][C@@H]1CCc2cc(F)ccc2C1)C(=O)N[O-] ZINC001168419322 807265224 /nfs/dbraw/zinc/26/52/24/807265224.db2.gz ATVFINMACIAOFA-VQISRLSMSA-N 0 3 294.370 2.193 20 30 CEEDHN C#CCN1CC[C@@]2(CNC(=O)c3cc(C)co3)CCC[C@@H]12 ZINC001094494972 815106155 /nfs/dbraw/zinc/10/61/55/815106155.db2.gz TWYVOHDJXPQQNG-NVXWUHKLSA-N 0 3 286.375 2.196 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2cccnc2)[C@H]1C ZINC001088986642 807303648 /nfs/dbraw/zinc/30/36/48/807303648.db2.gz JZKIHEYQDOHYQU-FMKPAKJESA-N 0 3 287.407 2.340 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](F)C(C)C)C2 ZINC001045959610 807336863 /nfs/dbraw/zinc/33/68/63/807336863.db2.gz TWAFPMXUMKTSHF-NVXWUHKLSA-N 0 3 294.414 2.318 20 30 CEEDHN CCOCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130125738 807420477 /nfs/dbraw/zinc/42/04/77/807420477.db2.gz VYCWFNCOOXYHEH-VIFPVBQESA-N 0 3 298.701 2.163 20 30 CEEDHN N#Cc1cccnc1NCCNCc1cnn(C2CCC2)c1 ZINC001119612952 815139728 /nfs/dbraw/zinc/13/97/28/815139728.db2.gz BOWYLQVJTASTTJ-UHFFFAOYSA-N 0 3 296.378 2.076 20 30 CEEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CC[C@H](C)F)CCC1 ZINC001235209394 807797580 /nfs/dbraw/zinc/79/75/80/807797580.db2.gz LDAXILMKFQAKKC-GJZGRUSLSA-N 0 3 294.414 2.461 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(C)CCOCC2)[C@H]1C ZINC000994002828 807885826 /nfs/dbraw/zinc/88/58/26/807885826.db2.gz FMZZSHPQVXQUQJ-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cccnc2C)CC(C)(C)C1 ZINC001089474927 808004663 /nfs/dbraw/zinc/00/46/63/808004663.db2.gz CUXIGLURTHOQDN-HNNXBMFYSA-N 0 3 299.418 2.244 20 30 CEEDHN C#CCCN1CC(CNC(=O)[C@H]2CCCC[C@@H]2C2CC2)C1 ZINC001031873467 808182011 /nfs/dbraw/zinc/18/20/11/808182011.db2.gz XTFJFFGQOCVYDI-SJORKVTESA-N 0 3 288.435 2.274 20 30 CEEDHN C#CCCN1CC(CNC(=O)c2c(C)cc(F)cc2C)C1 ZINC001031893277 808190461 /nfs/dbraw/zinc/19/04/61/808190461.db2.gz OPXFKXMYBFOYAM-UHFFFAOYSA-N 0 3 288.366 2.127 20 30 CEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1ccncc1C)CC2 ZINC001272717157 808254618 /nfs/dbraw/zinc/25/46/18/808254618.db2.gz PYOUFCGGGXMDOQ-MRXNPFEDSA-N 0 3 299.418 2.294 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2coc(C3CCC3)n2)C1 ZINC001032113874 808293091 /nfs/dbraw/zinc/29/30/91/808293091.db2.gz MQRUFKMLQKPEFY-UHFFFAOYSA-N 0 3 289.379 2.180 20 30 CEEDHN CC[C@H](C)[C@H]([NH2+][C@@H]1CCc2c(C)cccc2C1)C(=O)N[O-] ZINC001171563959 815197112 /nfs/dbraw/zinc/19/71/12/815197112.db2.gz PRZDTGSQBSELIP-PEYYIBSZSA-N 0 3 290.407 2.362 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCCC1 ZINC001032246285 808360871 /nfs/dbraw/zinc/36/08/71/808360871.db2.gz QSEJEZHSMNCGTA-GJZGRUSLSA-N 0 3 262.397 2.428 20 30 CEEDHN CCCCCCCCS(=O)(=O)N1CCNCC[C@H]1C ZINC001238936201 808450289 /nfs/dbraw/zinc/45/02/89/808450289.db2.gz LWNGOTHSFLLKDM-CQSZACIVSA-N 0 3 290.473 2.361 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCOC1 ZINC001032346004 808505524 /nfs/dbraw/zinc/50/55/24/808505524.db2.gz PNOPRJSCVDZCPN-PMPSAXMXSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1ccc(C)[nH]1)CC2 ZINC001272765292 808629852 /nfs/dbraw/zinc/62/98/52/808629852.db2.gz XRUMGCCSQCIQFB-OAHLLOKOSA-N 0 3 287.407 2.227 20 30 CEEDHN C=CCN[C@H]1CN(C(=O)C2(C)CC2)CC[C@H]1C(F)(F)F ZINC000998266506 808733722 /nfs/dbraw/zinc/73/37/22/808733722.db2.gz KNEWQNTWSPROKK-MNOVXSKESA-N 0 3 290.329 2.342 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccc(F)nc2)C1 ZINC000998547040 808751455 /nfs/dbraw/zinc/75/14/55/808751455.db2.gz JHJVSQKPERRACB-UHFFFAOYSA-N 0 3 297.761 2.166 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cncc(C)c2)C1 ZINC000998582008 808754558 /nfs/dbraw/zinc/75/45/58/808754558.db2.gz AAYAKOGBDUYWGT-UHFFFAOYSA-N 0 3 293.798 2.335 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCCCO1 ZINC001032657984 808776620 /nfs/dbraw/zinc/77/66/20/808776620.db2.gz LINGAWXLSMUNLF-HRCADAONSA-N 0 3 292.423 2.197 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCOC1 ZINC001032787736 808869199 /nfs/dbraw/zinc/86/91/99/808869199.db2.gz XZFXXDWAWVLFGM-JYJNAYRXSA-N 0 3 292.423 2.054 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CC2)C12CCC2 ZINC001078525988 808907279 /nfs/dbraw/zinc/90/72/79/808907279.db2.gz HUFOOBJNDPWCAK-RYUDHWBXSA-N 0 3 268.788 2.166 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CC2)C12CCC2 ZINC001078525987 808907570 /nfs/dbraw/zinc/90/75/70/808907570.db2.gz HUFOOBJNDPWCAK-NWDGAFQWSA-N 0 3 268.788 2.166 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(Cl)c[nH]2)C1 ZINC001032911855 809114112 /nfs/dbraw/zinc/11/41/12/809114112.db2.gz WWGMZZJVWUYYFM-GFCCVEGCSA-N 0 3 281.787 2.391 20 30 CEEDHN C[C@@H]1C[C@H](NCc2ccccc2C#N)CCN1C(=O)C1CC1 ZINC001044408887 809166884 /nfs/dbraw/zinc/16/68/84/809166884.db2.gz RZROAOYGLDIWCC-CXAGYDPISA-N 0 3 297.402 2.437 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2CCCCCC2)[C@H](O)C1 ZINC001090113563 809221801 /nfs/dbraw/zinc/22/18/01/809221801.db2.gz MFZWWRAZYYMLLG-HZPDHXFCSA-N 0 3 294.439 2.084 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)C23CCC(CC2)C3)C1 ZINC001033199773 809229993 /nfs/dbraw/zinc/22/99/93/809229993.db2.gz YDYHWJIHQJJDPV-CKDBGZEDSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033198834 809231718 /nfs/dbraw/zinc/23/17/18/809231718.db2.gz YUAWBAVKYAIRDC-HUUCEWRRSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCCCC2(F)F)C1 ZINC001033293433 809259325 /nfs/dbraw/zinc/25/93/25/809259325.db2.gz MAGLXFXGLKJESD-UONOGXRCSA-N 0 3 298.377 2.368 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001117792173 809270992 /nfs/dbraw/zinc/27/09/92/809270992.db2.gz YPVKDTJHFQVETK-JKSUJKDBSA-N 0 3 291.439 2.163 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccnc2C)C1 ZINC001033370597 809285132 /nfs/dbraw/zinc/28/51/32/809285132.db2.gz SEODLUJNPFIHAH-CQSZACIVSA-N 0 3 273.380 2.112 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)c2ccco2)C1 ZINC001033408041 809292087 /nfs/dbraw/zinc/29/20/87/809292087.db2.gz BQVNXLOZOVUVDO-KGLIPLIRSA-N 0 3 276.380 2.492 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001033419314 809293690 /nfs/dbraw/zinc/29/36/90/809293690.db2.gz ZXAKZHVSQFUHEY-UONOGXRCSA-N 0 3 298.377 2.368 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CC23CCC3)C1 ZINC001033462599 809310044 /nfs/dbraw/zinc/31/00/44/809310044.db2.gz XYEVLHUKOMVNBI-ZIAGYGMSSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2oc(CC)nc2C)C1 ZINC001033562211 809340771 /nfs/dbraw/zinc/34/07/71/809340771.db2.gz NQCOBZOCGFIWMG-ZDUSSCGKSA-N 0 3 291.395 2.268 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CC23CCCC3)C1 ZINC001033563868 809341250 /nfs/dbraw/zinc/34/12/50/809341250.db2.gz WESKGYPMWRKAQK-HUUCEWRRSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(F)cc2C)C1 ZINC001033604280 809357302 /nfs/dbraw/zinc/35/73/02/809357302.db2.gz ZKPRFXHFOQFQGU-OAHLLOKOSA-N 0 3 288.366 2.304 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(C3CC3)cn2)C1 ZINC001033628718 809368795 /nfs/dbraw/zinc/36/87/95/809368795.db2.gz KHQZGTYJZQGFQY-INIZCTEOSA-N 0 3 297.402 2.129 20 30 CEEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2cncs2)C1 ZINC001033764215 809408367 /nfs/dbraw/zinc/40/83/67/809408367.db2.gz ZAJWWUDYTMFQKR-GFCCVEGCSA-N 0 3 279.409 2.256 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C2CC(OCC)C2)C1 ZINC001033815326 809426742 /nfs/dbraw/zinc/42/67/42/809426742.db2.gz BBDIQDREGREEOZ-HWOWSKLDSA-N 0 3 294.439 2.300 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C)sn2)C1 ZINC001033817641 809427303 /nfs/dbraw/zinc/42/73/03/809427303.db2.gz QGQARNICYKDOPL-ZDUSSCGKSA-N 0 3 291.420 2.011 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)C2CC(C)(C)C2)C1 ZINC001033820516 809428809 /nfs/dbraw/zinc/42/88/09/809428809.db2.gz NQXBSGNMSWPTOZ-HNNXBMFYSA-N 0 3 276.424 2.369 20 30 CEEDHN C=CCn1cccc1C(=O)N(CC)[C@H]1CCN(CC)C1 ZINC001033853852 809436181 /nfs/dbraw/zinc/43/61/81/809436181.db2.gz FDYOOXXRUHOCCR-AWEZNQCLSA-N 0 3 275.396 2.230 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)C2CC3(CC3)C2)C1 ZINC001033954478 809460905 /nfs/dbraw/zinc/46/09/05/809460905.db2.gz DKNDUHLKNYOMAS-HNNXBMFYSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001034111407 809518290 /nfs/dbraw/zinc/51/82/90/809518290.db2.gz ZTXBNKFRKLLWHS-ZDUSSCGKSA-N 0 3 293.798 2.276 20 30 CEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(CC)o2)C1 ZINC001034272702 809569679 /nfs/dbraw/zinc/56/96/79/809569679.db2.gz LRCWKIONMFWXPJ-CQSZACIVSA-N 0 3 288.391 2.450 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2cncc(C)c2)C1 ZINC001034328307 809580073 /nfs/dbraw/zinc/58/00/73/809580073.db2.gz RYKQDTAQNAGWNZ-INIZCTEOSA-N 0 3 287.407 2.089 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001034423176 809601402 /nfs/dbraw/zinc/60/14/02/809601402.db2.gz IYDQFDHPNZDRIJ-ZIAGYGMSSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3cccnn32)C1 ZINC001034430838 809606977 /nfs/dbraw/zinc/60/69/77/809606977.db2.gz GMIBOTHADGGMPK-CQSZACIVSA-N 0 3 298.390 2.105 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccn(CC)n2)C1 ZINC001034437099 809609201 /nfs/dbraw/zinc/60/92/01/809609201.db2.gz FDKVIMBHVOOGDE-AWEZNQCLSA-N 0 3 290.411 2.063 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2nc(C)oc2C)C1 ZINC001034458808 809612765 /nfs/dbraw/zinc/61/27/65/809612765.db2.gz SXURPGJRAQEXJJ-CQSZACIVSA-N 0 3 291.395 2.452 20 30 CEEDHN C=CCCN1CCCC[C@@H](NC(=O)c2nccs2)C1 ZINC001034460507 809613272 /nfs/dbraw/zinc/61/32/72/809613272.db2.gz ISTYGYNUDKXMEG-GFCCVEGCSA-N 0 3 279.409 2.304 20 30 CEEDHN CC(=O)N1CCC[C@H]([C@H](C)NCc2ccccc2C#N)C1 ZINC001036323183 809887192 /nfs/dbraw/zinc/88/71/92/809887192.db2.gz HGDLMIXGHSJDNW-GUYCJALGSA-N 0 3 285.391 2.295 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cncc(C)c2)C1 ZINC001079523492 810217486 /nfs/dbraw/zinc/21/74/86/810217486.db2.gz LFUAAHLYKFOUGD-UKRRQHHQSA-N 0 3 273.380 2.016 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001079937194 810240339 /nfs/dbraw/zinc/24/03/39/810240339.db2.gz SJMJKBVLOKWGGM-GRYCIOLGSA-N 0 3 272.339 2.044 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c3c[nH]nc3ccc2C)C1 ZINC001015020094 810254099 /nfs/dbraw/zinc/25/40/99/810254099.db2.gz UITKICZSUIMNAQ-ZDUSSCGKSA-N 0 3 298.390 2.252 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001080295273 810269159 /nfs/dbraw/zinc/26/91/59/810269159.db2.gz NJVWYEJOIMOTGU-HZSPNIEDSA-N 0 3 264.413 2.435 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001015420593 810288021 /nfs/dbraw/zinc/28/80/21/810288021.db2.gz CHWBAKFBFXMSSU-GFCCVEGCSA-N 0 3 277.368 2.178 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc3ccccn3c2)C1 ZINC001080551231 810292095 /nfs/dbraw/zinc/29/20/95/810292095.db2.gz KLPVNUHHIZLUBG-RHSMWYFYSA-N 0 3 295.386 2.013 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001080815101 810310128 /nfs/dbraw/zinc/31/01/28/810310128.db2.gz ABRRPANTTHHGQK-KBUPBQIOSA-N 0 3 264.413 2.435 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCCc3cccnc32)C1 ZINC001015594454 810310779 /nfs/dbraw/zinc/31/07/79/810310779.db2.gz VKASYAGMTLYDIG-HOTGVXAUSA-N 0 3 299.418 2.268 20 30 CEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCCNCc1cnc(C)o1 ZINC001164221935 810327015 /nfs/dbraw/zinc/32/70/15/810327015.db2.gz GWEHGSMOQWPOOR-NWDGAFQWSA-N 0 3 279.384 2.037 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc3scnc3c2)C1 ZINC001015935669 810376074 /nfs/dbraw/zinc/37/60/74/810376074.db2.gz YYUGAMIMZWUMGC-CYBMUJFWSA-N 0 3 299.399 2.124 20 30 CEEDHN CCNC(=O)[C@@H]1CCCN1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172313136 815365823 /nfs/dbraw/zinc/36/58/23/815365823.db2.gz PUFULPUCSQZCNW-BBRMVZONSA-N 0 3 285.391 2.090 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001016150203 810404187 /nfs/dbraw/zinc/40/41/87/810404187.db2.gz OCKNZXFSUIALBJ-LBPRGKRZSA-N 0 3 280.318 2.345 20 30 CEEDHN C=C[C@H](C(=O)N1C[C@@H](C)[C@H](NCCF)C1)c1ccccc1 ZINC001082936973 810410905 /nfs/dbraw/zinc/41/09/05/810410905.db2.gz FJTNBPANIOURAN-VNQPRFMTSA-N 0 3 290.382 2.362 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001016373870 810428688 /nfs/dbraw/zinc/42/86/88/810428688.db2.gz DVHLKCWJZSEHAI-NNGSBXSVSA-N 0 3 288.435 2.417 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)/C=C\c3ccco3)[C@@H]2C1 ZINC001084157800 810439225 /nfs/dbraw/zinc/43/92/25/810439225.db2.gz FAWZHOWRVYNBRO-KRHNWMDASA-N 0 3 286.375 2.402 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C2CC(C)(C)C2)CC1 ZINC001016604082 810457278 /nfs/dbraw/zinc/45/72/78/810457278.db2.gz FOISKKYRNHMXMN-AWEZNQCLSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccsc2C)CC1 ZINC001016614104 810458894 /nfs/dbraw/zinc/45/88/94/810458894.db2.gz JKFFVLSMAVYWAA-AWEZNQCLSA-N 0 3 288.416 2.274 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)/C=C(/C)C3CC3)C2)C1 ZINC001041111177 810463327 /nfs/dbraw/zinc/46/33/27/810463327.db2.gz NXPFEKXHFJDOIZ-WTQUMQLASA-N 0 3 286.419 2.290 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)Cc2ccccc2)CC1 ZINC001016693841 810463420 /nfs/dbraw/zinc/46/34/20/810463420.db2.gz KUXBXPARJFTYLU-QGZVFWFLSA-N 0 3 296.414 2.223 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001016741860 810465205 /nfs/dbraw/zinc/46/52/05/810465205.db2.gz DMYRUDVRIUNPAQ-IIDMSEBBSA-N 0 3 286.419 2.171 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H]2CCC2(C)C)CC1 ZINC001016783474 810468969 /nfs/dbraw/zinc/46/89/69/810468969.db2.gz LOLJYGSETWZGJD-HUUCEWRRSA-N 0 3 288.435 2.417 20 30 CEEDHN C#C[C@@H](NC(=O)NC[C@H]1CCCCN1C)c1ccccc1 ZINC001121964462 815371563 /nfs/dbraw/zinc/37/15/63/815371563.db2.gz FILQWQKSGAJZBH-HZPDHXFCSA-N 0 3 285.391 2.144 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)[C@@H]2C1 ZINC001084512566 810474878 /nfs/dbraw/zinc/47/48/78/810474878.db2.gz WTLPMFDGXBPCSO-KLHDSHLOSA-N 0 3 288.435 2.225 20 30 CEEDHN CC#CCNCCN(CC)C(=O)c1ccc(C)s1 ZINC001273242619 810545386 /nfs/dbraw/zinc/54/53/86/810545386.db2.gz BVCMOWGSKWUYPM-UHFFFAOYSA-N 0 3 264.394 2.132 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)C[C@@H]21 ZINC001085026255 810568373 /nfs/dbraw/zinc/56/83/73/810568373.db2.gz FOKUNDPGKYHREI-VQHPVUNQSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(C)C)[nH]n1 ZINC001017979488 810577956 /nfs/dbraw/zinc/57/79/56/810577956.db2.gz YEOLAIAMNVZJFI-BETUJISGSA-N 0 3 288.395 2.008 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](CC)[C@H]1CCCCO1 ZINC001122053272 815381020 /nfs/dbraw/zinc/38/10/20/815381020.db2.gz ANFLBJQVRDKMGQ-MELADBBJSA-N 0 3 268.401 2.134 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc[nH]1 ZINC001018292654 810601947 /nfs/dbraw/zinc/60/19/47/810601947.db2.gz OZTQPMXFSPZFNU-IYBDPMFKSA-N 0 3 287.407 2.199 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc[nH]1 ZINC001085131027 810607590 /nfs/dbraw/zinc/60/75/90/810607590.db2.gz ULOIOOHFWZAXPL-VXGBXAGGSA-N 0 3 281.787 2.398 20 30 CEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1CC=CC1 ZINC001231342236 810624618 /nfs/dbraw/zinc/62/46/18/810624618.db2.gz NAWQCNZATKSHKH-HNNXBMFYSA-N 0 3 262.397 2.452 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](c2nccs2)C1 ZINC001122127325 815386932 /nfs/dbraw/zinc/38/69/32/815386932.db2.gz BPNFQIPPGGSFMV-RYUDHWBXSA-N 0 3 279.409 2.143 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)Cc2ccc(CC(C)C)cc2)C1 ZINC001019110162 810677051 /nfs/dbraw/zinc/67/70/51/810677051.db2.gz OJYZOXNJIQRUBC-SFHVURJKSA-N 0 3 298.430 2.251 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001019439590 810710954 /nfs/dbraw/zinc/71/09/54/810710954.db2.gz SHXYHPPDQPWACB-ZDUSSCGKSA-N 0 3 288.391 2.323 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@@H]1C ZINC001085299801 810719688 /nfs/dbraw/zinc/71/96/88/810719688.db2.gz OBFGGTGEOFHRRK-FTYKPCCVSA-N 0 3 270.804 2.412 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc3cccc(C)c3o2)C1 ZINC001019831591 810743395 /nfs/dbraw/zinc/74/33/95/810743395.db2.gz GVHQLTDMGXSXNK-AWEZNQCLSA-N 0 3 282.343 2.179 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC2CCC2)C1 ZINC001020046857 810761996 /nfs/dbraw/zinc/76/19/96/810761996.db2.gz SKZNJHKNZQGMML-HAQNSBGRSA-N 0 3 256.777 2.166 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2ccc(C)o2)C1 ZINC001020086063 810768214 /nfs/dbraw/zinc/76/82/14/810768214.db2.gz MPFVDBLDYCJASS-HAQNSBGRSA-N 0 3 282.771 2.120 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccccn1 ZINC001085458516 810768533 /nfs/dbraw/zinc/76/85/33/810768533.db2.gz KINUYJAVTLTSQE-CQSZACIVSA-N 0 3 273.380 2.194 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cnn(C2CCCC2)c1 ZINC001122258198 815397043 /nfs/dbraw/zinc/39/70/43/815397043.db2.gz NPXVYXKWSXSXGY-CQSZACIVSA-N 0 3 289.383 2.348 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001038147597 810800336 /nfs/dbraw/zinc/80/03/36/810800336.db2.gz WAXNLCSHOMEFRR-KBXIAJHMSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)NC[C@@H]2CCCCN2C)C1 ZINC001122276552 815398487 /nfs/dbraw/zinc/39/84/87/815398487.db2.gz FHBNVAAWIWLBHB-KGLIPLIRSA-N 0 3 265.401 2.078 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1coc(CC)n1 ZINC001085555158 810822071 /nfs/dbraw/zinc/82/20/71/810822071.db2.gz NBHMIHQVZAYCGT-CYBMUJFWSA-N 0 3 291.395 2.350 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnc2cc[nH]c2c1 ZINC001038384846 810830864 /nfs/dbraw/zinc/83/08/64/810830864.db2.gz FDQAJALCYRLWAR-AWEZNQCLSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccn2c1CCCC2 ZINC001038362591 810831088 /nfs/dbraw/zinc/83/10/88/810831088.db2.gz RKGWDSMHHMKGEH-CQSZACIVSA-N 0 3 287.407 2.205 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1CCC(O)CC1 ZINC001085569316 810832663 /nfs/dbraw/zinc/83/26/63/810832663.db2.gz GBKOJYDQDDBHAR-HWOWSKLDSA-N 0 3 294.439 2.036 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cccc2n[nH]cc21 ZINC001038576585 810867851 /nfs/dbraw/zinc/86/78/51/810867851.db2.gz PKUFMHKYOUUABD-CYBMUJFWSA-N 0 3 298.390 2.333 20 30 CEEDHN C=C1CCC(C(=O)NC[C@H]2CCN2C(C)C)CC1 ZINC001038665636 810881888 /nfs/dbraw/zinc/88/18/88/810881888.db2.gz FQFSCVRLNFOYOB-CQSZACIVSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001038663895 810882031 /nfs/dbraw/zinc/88/20/31/810882031.db2.gz DWXSVILERMECSN-IIAWOOMASA-N 0 3 262.397 2.333 20 30 CEEDHN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CCC)cc1 ZINC001085757582 810903289 /nfs/dbraw/zinc/90/32/89/810903289.db2.gz LGCNRVYZYJBGJZ-INIZCTEOSA-N 0 3 270.376 2.224 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2cccnc21 ZINC001085787290 810913685 /nfs/dbraw/zinc/91/36/85/810913685.db2.gz LAMOOBATUXXSRZ-CVEARBPZSA-N 0 3 299.418 2.220 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1conc1C ZINC001085797069 810920889 /nfs/dbraw/zinc/92/08/89/810920889.db2.gz GVGSOHKKGKHIFD-ZDUSSCGKSA-N 0 3 277.368 2.096 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCN2CC2CCCC2)nc1 ZINC001038933522 810949985 /nfs/dbraw/zinc/94/99/85/810949985.db2.gz XTSVUEYCUWZJKB-INIZCTEOSA-N 0 3 297.402 2.057 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc2c(c1)N(C)CC2 ZINC001038978324 810961995 /nfs/dbraw/zinc/96/19/95/810961995.db2.gz VSNKQFYRZDPBSC-MRXNPFEDSA-N 0 3 299.418 2.059 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001039067417 810979213 /nfs/dbraw/zinc/97/92/13/810979213.db2.gz NTYUWAKZTHNOMT-AYCBFJCHSA-N 0 3 274.408 2.045 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)nc1C ZINC001085984628 810993420 /nfs/dbraw/zinc/99/34/20/810993420.db2.gz JOCIZIODWUYYTC-OAHLLOKOSA-N 0 3 287.407 2.421 20 30 CEEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001039178009 810995016 /nfs/dbraw/zinc/99/50/16/810995016.db2.gz KPCKUWFZQOORGP-CABCVRRESA-N 0 3 294.414 2.461 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)n1C ZINC001039333439 811011385 /nfs/dbraw/zinc/01/13/85/811011385.db2.gz ZFUROUFXSBHECM-CVEARBPZSA-N 0 3 299.418 2.036 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001086055078 811018981 /nfs/dbraw/zinc/01/89/81/811018981.db2.gz OKMZYIXTDDUADF-KCLGILNXSA-N 0 3 282.815 2.269 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C1CC1 ZINC001039368546 811019783 /nfs/dbraw/zinc/01/97/83/811019783.db2.gz WWEVSKFVFWOLOV-PMPSAXMXSA-N 0 3 292.423 2.053 20 30 CEEDHN C=CCC[C@@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC001122466124 815415479 /nfs/dbraw/zinc/41/54/79/815415479.db2.gz KGXBOYYNHCBZBC-ZIAGYGMSSA-N 0 3 263.385 2.355 20 30 CEEDHN CCOCC[C@@H](C)N1CCN(c2ccccc2C#N)CC1 ZINC001172423775 815416642 /nfs/dbraw/zinc/41/66/42/815416642.db2.gz OJPDFUKHFCKBPJ-OAHLLOKOSA-N 0 3 287.407 2.495 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](F)C2)C1 ZINC001086179237 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/nfs/dbraw/zinc/59/16/64/814591664.db2.gz JZDHYHVWMQGWPP-VYDXJSESSA-N 0 3 292.423 2.124 20 30 CEEDHN C[C@H]1CN(C(=O)[C@H](N)CCCCC#N)C(C)(C)C1 ZINC000691579020 814596845 /nfs/dbraw/zinc/59/68/45/814596845.db2.gz DJCVKHANIOOXFX-VXGBXAGGSA-N 0 3 251.374 2.045 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C/C=C(/C)C=C)C1 ZINC001111838885 814618165 /nfs/dbraw/zinc/61/81/65/814618165.db2.gz KSIOKAPZXMTQBQ-BYGVAPHOSA-N 0 3 272.392 2.113 20 30 CEEDHN CCCCCCC[C@H](C)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000697279833 814646103 /nfs/dbraw/zinc/64/61/03/814646103.db2.gz WIUGOTLIKHSNSP-BFHYXJOUSA-N 0 3 291.457 2.137 20 30 CEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)CSC)C2)CC1 ZINC001086901642 814646456 /nfs/dbraw/zinc/64/64/56/814646456.db2.gz KVJNQSPAIRHNHC-AWEZNQCLSA-N 0 3 294.464 2.076 20 30 CEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)c3cc[nH]c3)C2)CC1 ZINC001086924556 814651628 /nfs/dbraw/zinc/65/16/28/814651628.db2.gz VMWRNFCRXMUOKG-OAHLLOKOSA-N 0 3 299.418 2.355 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CC(C)C)C[C@]2(C)C1 ZINC001092031424 814686075 /nfs/dbraw/zinc/68/60/75/814686075.db2.gz SCUZTMFVXBQSRX-KONPQCLYSA-N 0 3 288.435 2.082 20 30 CEEDHN C=C(Cl)CNC1(CNC(=O)c2ccon2)CCCCC1 ZINC001115427249 814704726 /nfs/dbraw/zinc/70/47/26/814704726.db2.gz VWCYTEHRFOBMFO-UHFFFAOYSA-N 0 3 297.786 2.449 20 30 CEEDHN N=C(N[C@H]1CCc2ncsc2C1)c1ccc(Cl)cn1 ZINC001173124192 815588366 /nfs/dbraw/zinc/58/83/66/815588366.db2.gz LTZGYQKOJDRCRZ-VIFPVBQESA-N 0 3 292.795 2.454 20 30 CEEDHN C=C/C=C\CCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000713500298 814859802 /nfs/dbraw/zinc/85/98/02/814859802.db2.gz UJTKDGJJLWDJAA-ARJAWSKDSA-N 0 3 290.388 2.054 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2ccoc2CCC)[C@H](C)C1 ZINC001093130781 814875986 /nfs/dbraw/zinc/87/59/86/814875986.db2.gz CLIZXJGPVYFHCQ-ZIAGYGMSSA-N 0 3 288.391 2.163 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCN2CCF)C1 ZINC001036788374 814911102 /nfs/dbraw/zinc/91/11/02/814911102.db2.gz ALVCXMWNXPFTQZ-STQMWFEESA-N 0 3 268.376 2.091 20 30 CEEDHN COc1ccc(CN2CCN(C3CCC3)CC2)c(C#N)c1 ZINC001137697973 815666391 /nfs/dbraw/zinc/66/63/91/815666391.db2.gz DTJLUXBSESAXRE-UHFFFAOYSA-N 0 3 285.391 2.237 20 30 CEEDHN C=CCOC1CCC(N2CCc3nn(C)cc3C2)CC1 ZINC001173323671 815674264 /nfs/dbraw/zinc/67/42/64/815674264.db2.gz DZPHXJGPFAXYPY-UHFFFAOYSA-N 0 3 275.396 2.292 20 30 CEEDHN C=CCOC1CCC(N2CCOCC23CC3)CC1 ZINC001173322744 815674821 /nfs/dbraw/zinc/67/48/21/815674821.db2.gz KQPVAUYRYSPDSC-UHFFFAOYSA-N 0 3 251.370 2.365 20 30 CEEDHN N#CCC1CCC(N[C@H]2c3ccccc3CNC2=O)CC1 ZINC001173330294 815679446 /nfs/dbraw/zinc/67/94/46/815679446.db2.gz NSOOYZXHXNYTJU-PXCJXSSVSA-N 0 3 283.375 2.420 20 30 CEEDHN C=CCOC1CCC(NCc2cc3n(n2)CCCO3)CC1 ZINC001173319297 815691930 /nfs/dbraw/zinc/69/19/30/815691930.db2.gz DNFMEYAOQHMNNI-UHFFFAOYSA-N 0 3 291.395 2.269 20 30 CEEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)no1)C2 ZINC001095171516 815721081 /nfs/dbraw/zinc/72/10/81/815721081.db2.gz PFGCOWSUEOPDJQ-RDBSUJKOSA-N 0 3 289.379 2.284 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)n1C)C2 ZINC001095168653 815721336 /nfs/dbraw/zinc/72/13/36/815721336.db2.gz QBOHGQRXNTWRIX-ILXRZTDVSA-N 0 3 287.407 2.245 20 30 CEEDHN CCOC(=O)C[C@@H]1CC[C@@H](N(CC)CCC#N)C1 ZINC001173653634 815792844 /nfs/dbraw/zinc/79/28/44/815792844.db2.gz OZMDRTIBCHCAKQ-CHWSQXEVSA-N 0 3 252.358 2.344 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c1[O-] ZINC001138625647 815845849 /nfs/dbraw/zinc/84/58/49/815845849.db2.gz RNYRMXZINBXSEK-KBPBESRZSA-N 0 3 265.328 2.025 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)c1[O-] ZINC001138625647 815845856 /nfs/dbraw/zinc/84/58/56/815845856.db2.gz RNYRMXZINBXSEK-KBPBESRZSA-N 0 3 265.328 2.025 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-c3cc[nH]n3)o2)C1 ZINC001202904197 815975519 /nfs/dbraw/zinc/97/55/19/815975519.db2.gz XKVHYBAIJQOYTD-WDEREUQCSA-N 0 3 256.309 2.452 20 30 CEEDHN CN1CCN(Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139400456 816019354 /nfs/dbraw/zinc/01/93/54/816019354.db2.gz SXDRBQMMFLOYLU-UHFFFAOYSA-N 0 3 292.386 2.368 20 30 CEEDHN C=CCn1cc(CN2CCC3(C[C@H](F)CO3)CC2)cn1 ZINC001139770799 816111849 /nfs/dbraw/zinc/11/18/49/816111849.db2.gz BJPGZKBDXWLGFS-AWEZNQCLSA-N 0 3 279.359 2.162 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCC[C@@H](OC)C1 ZINC001139874196 816132739 /nfs/dbraw/zinc/13/27/39/816132739.db2.gz QIRYNMKOTYCYMD-HUUCEWRRSA-N 0 3 282.428 2.158 20 30 CEEDHN C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001110184533 816172625 /nfs/dbraw/zinc/17/26/25/816172625.db2.gz MWKQBJBGHBUARK-FZKCQIBNSA-N 0 3 292.423 2.265 20 30 CEEDHN N#Cc1ccc2[nH]cc(CN3CC(C4COC4)C3)c2c1 ZINC001140111308 816192615 /nfs/dbraw/zinc/19/26/15/816192615.db2.gz IWCOEDBYENMDHO-UHFFFAOYSA-N 0 3 267.332 2.118 20 30 CEEDHN COCCN(CCOC)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140111581 816192806 /nfs/dbraw/zinc/19/28/06/816192806.db2.gz MLNPMRFUBHUOAF-UHFFFAOYSA-N 0 3 287.363 2.134 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H](c3ccncc3)C2)cn1 ZINC001140542767 816281698 /nfs/dbraw/zinc/28/16/98/816281698.db2.gz HNDRMALCPAIVCX-OAHLLOKOSA-N 0 3 264.332 2.338 20 30 CEEDHN N#Cc1ccc(CN2CCC3(CCOCC3)CC2)cn1 ZINC001140545927 816283399 /nfs/dbraw/zinc/28/33/99/816283399.db2.gz PZYHBLQZRWURGA-UHFFFAOYSA-N 0 3 271.364 2.346 20 30 CEEDHN CCN1C[C@@H]2C[C@H]1CN2Cc1cc(C#N)ccc1Cl ZINC001140603464 816298875 /nfs/dbraw/zinc/29/88/75/816298875.db2.gz PDZRXDKTEWKCPM-KBPBESRZSA-N 0 3 275.783 2.490 20 30 CEEDHN CN(Cc1cc(F)c(C#N)c(F)c1)CC1(C)COC1 ZINC001140754210 816344752 /nfs/dbraw/zinc/34/47/52/816344752.db2.gz QTBDCACYQOTQGH-UHFFFAOYSA-N 0 3 266.291 2.305 20 30 CEEDHN C#CCC[NH2+]CCCCCCNC(=O)c1ccccc1[O-] ZINC001177906753 816640378 /nfs/dbraw/zinc/64/03/78/816640378.db2.gz IVINGAUDUVIHMG-UHFFFAOYSA-N 0 3 288.391 2.295 20 30 CEEDHN C[C@@H](C#N)CN(C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000079219061 343975833 /nfs/dbraw/zinc/97/58/33/343975833.db2.gz PBYGAARLGROFSJ-ZDUSSCGKSA-N 0 3 280.416 2.052 20 30 CEEDHN C[C@H](NCC[C@H](O)C(F)F)c1ccc(C#N)c(F)c1 ZINC000601297573 346815364 /nfs/dbraw/zinc/81/53/64/346815364.db2.gz ACNAFDFFDJYDBY-UFBFGSQYSA-N 0 3 272.270 2.364 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000336294719 365549764 /nfs/dbraw/zinc/54/97/64/365549764.db2.gz BYDRCNWHYHIWTK-LBPRGKRZSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCN(C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000121546783 365582664 /nfs/dbraw/zinc/58/26/64/365582664.db2.gz HCSUGULBWCHPMB-LBPRGKRZSA-N 0 3 255.745 2.198 20 30 CEEDHN N#Cc1cccc(OCCN2CCCC[C@@H]2CCO)c1 ZINC000034674204 361793597 /nfs/dbraw/zinc/79/35/97/361793597.db2.gz NKRZJSRIKBUAKT-OAHLLOKOSA-N 0 3 274.364 2.174 20 30 CEEDHN CCN1CCC(Nc2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000127784495 187332594 /nfs/dbraw/zinc/33/25/94/187332594.db2.gz FSKHGRILUJBDSR-UHFFFAOYSA-N 0 3 274.324 2.363 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccccc1C ZINC000124671091 365657217 /nfs/dbraw/zinc/65/72/17/365657217.db2.gz GEPRRZSSGZIEEB-CHWSQXEVSA-N 0 3 289.379 2.046 20 30 CEEDHN N#CCc1ccccc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000601534421 346846785 /nfs/dbraw/zinc/84/67/85/346846785.db2.gz QXUMMJMMZIPZBZ-INIZCTEOSA-N 0 3 297.402 2.499 20 30 CEEDHN CN(C(=O)Nc1cccc(CN)c1)[C@@H]1CCC[C@@H]1C#N ZINC000601564154 346850882 /nfs/dbraw/zinc/85/08/82/346850882.db2.gz CLGUPWDSBGTVSH-TZMCWYRMSA-N 0 3 272.352 2.301 20 30 CEEDHN CN(C(=O)Nc1ccc2c(c1)CNC2)[C@@H]1CCC[C@@H]1C#N ZINC000601568287 346852018 /nfs/dbraw/zinc/85/20/18/346852018.db2.gz ZAFZCNYRJLTSAO-IAQYHMDHSA-N 0 3 284.363 2.446 20 30 CEEDHN C=C1CC(C)(C(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000601590928 346856014 /nfs/dbraw/zinc/85/60/14/346856014.db2.gz XANWVMMAQSMBPI-UHFFFAOYSA-N 0 3 282.453 2.286 20 30 CEEDHN CC(C)CN(C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000037108527 361896905 /nfs/dbraw/zinc/89/69/05/361896905.db2.gz GEKIJRDAOFAKDC-LBPRGKRZSA-N 0 3 259.353 2.473 20 30 CEEDHN N#Cc1cccc(N[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000125892900 187204207 /nfs/dbraw/zinc/20/42/07/187204207.db2.gz SKAQBMZCEOOKJX-NSHDSACASA-N 0 3 272.308 2.115 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)CC)CC1 ZINC000080682324 344019878 /nfs/dbraw/zinc/01/98/78/344019878.db2.gz LHXLBOSPUKVYGN-KBPBESRZSA-N 0 3 264.413 2.273 20 30 CEEDHN CC(C)CN(CCN(C)C)C(=O)c1ccc(C#N)cc1 ZINC000042277620 362077909 /nfs/dbraw/zinc/07/79/09/362077909.db2.gz IVGZPOUKOSKIMU-UHFFFAOYSA-N 0 3 273.380 2.218 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000126383059 187235770 /nfs/dbraw/zinc/23/57/70/187235770.db2.gz IBRVOCOHULAPMC-HUUCEWRRSA-N 0 3 299.418 2.075 20 30 CEEDHN CCN1CCC(N(C)C(=O)c2ccc(C#N)cc2)CC1 ZINC000043056648 362134134 /nfs/dbraw/zinc/13/41/34/362134134.db2.gz FFSSEMYPCNYZRW-UHFFFAOYSA-N 0 3 271.364 2.115 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCCCCC1 ZINC000023220016 343381165 /nfs/dbraw/zinc/38/11/65/343381165.db2.gz WFDZLGZWHFGOMI-DZGCQCFKSA-N 0 3 265.401 2.305 20 30 CEEDHN CNC(=O)[C@H](CC(C)C)N[C@H](C)c1cccc(C#N)c1 ZINC000037320849 343426694 /nfs/dbraw/zinc/42/66/94/343426694.db2.gz VJECMRWVKODUQZ-DOMZBBRYSA-N 0 3 273.380 2.370 20 30 CEEDHN C=CCN1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000048046320 362241435 /nfs/dbraw/zinc/24/14/35/362241435.db2.gz YDZDKVCHRZHOEW-ZDUSSCGKSA-N 0 3 250.386 2.143 20 30 CEEDHN C=C(C)CN1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000047753588 362224022 /nfs/dbraw/zinc/22/40/22/362224022.db2.gz RFCAPIKOTQGPKZ-UHFFFAOYSA-N 0 3 282.428 2.206 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)C1(C#N)CCCC1 ZINC000044532879 343474108 /nfs/dbraw/zinc/47/41/08/343474108.db2.gz JTZRQJWUVVBGBN-ZDUSSCGKSA-N 0 3 263.385 2.061 20 30 CEEDHN CC[C@H](C#N)C(=O)NCCCN(C)Cc1ccccc1 ZINC000044809909 343478165 /nfs/dbraw/zinc/47/81/65/343478165.db2.gz UTLUIVZVVKEFHH-OAHLLOKOSA-N 0 3 273.380 2.174 20 30 CEEDHN CC(C)CCN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000045751753 343487642 /nfs/dbraw/zinc/48/76/42/343487642.db2.gz FZVNQBLTBRBTNJ-INIZCTEOSA-N 0 3 277.412 2.305 20 30 CEEDHN N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000333314786 539323211 /nfs/dbraw/zinc/32/32/11/539323211.db2.gz OOKHXPVANFATLE-CFVMTHIKSA-N 0 3 275.396 2.202 20 30 CEEDHN CCC[C@H](C)N(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000048070802 343525398 /nfs/dbraw/zinc/52/53/98/343525398.db2.gz PLALLZIUNNQPEM-JSGCOSHPSA-N 0 3 253.390 2.161 20 30 CEEDHN CN(CCCc1cnn(C)c1)Cc1cccc(C#N)c1 ZINC000054315940 343587367 /nfs/dbraw/zinc/58/73/67/343587367.db2.gz TZLWOJWWPBDYIP-UHFFFAOYSA-N 0 3 268.364 2.356 20 30 CEEDHN C=C[C@H](C)NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000128138704 365777479 /nfs/dbraw/zinc/77/74/79/365777479.db2.gz SRHJMJBLWYLICL-ZDUSSCGKSA-N 0 3 291.395 2.001 20 30 CEEDHN Cc1cccc(C(=O)NCCNCc2cccc(C#N)c2)c1 ZINC000055176427 343599292 /nfs/dbraw/zinc/59/92/92/343599292.db2.gz ODSXJAJHJLOLSX-UHFFFAOYSA-N 0 3 293.370 2.386 20 30 CEEDHN CC(C)CN(C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000068334777 343761709 /nfs/dbraw/zinc/76/17/09/343761709.db2.gz PXPAOBVKGPZWPG-OAHLLOKOSA-N 0 3 271.364 2.251 20 30 CEEDHN CCN1CCC(NC(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000069614945 343789264 /nfs/dbraw/zinc/78/92/64/343789264.db2.gz QONUKWYBBVGWDY-UHFFFAOYSA-N 0 3 286.379 2.473 20 30 CEEDHN CN(CC(=O)NCCc1ccc(C#N)cc1)CC(C)(C)C ZINC000602178593 346989233 /nfs/dbraw/zinc/98/92/33/346989233.db2.gz OHASKRFQNQKMNV-UHFFFAOYSA-N 0 3 287.407 2.195 20 30 CEEDHN CN(CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N)CC(C)(C)C ZINC000602193359 346991487 /nfs/dbraw/zinc/99/14/87/346991487.db2.gz AMDPPTHTEZFCGG-CHWSQXEVSA-N 0 3 265.401 2.115 20 30 CEEDHN CCC1(O)CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000075858954 343869080 /nfs/dbraw/zinc/86/90/80/343869080.db2.gz LODHFIXEBNUNAM-UHFFFAOYSA-N 0 3 274.364 2.174 20 30 CEEDHN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCCC#N ZINC000310018971 260205597 /nfs/dbraw/zinc/20/55/97/260205597.db2.gz QADAZABOVXHWNO-NWDGAFQWSA-N 0 3 267.373 2.135 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)NCC#Cc1ccccc1 ZINC000077741921 343931308 /nfs/dbraw/zinc/93/13/08/343931308.db2.gz STKJHXZAQDWUAM-INIZCTEOSA-N 0 3 299.418 2.212 20 30 CEEDHN N#CCCCN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000078886118 343965928 /nfs/dbraw/zinc/96/59/28/343965928.db2.gz FTFJMEGOXZJADY-AWEZNQCLSA-N 0 3 287.411 2.488 20 30 CEEDHN CC(C)CN(C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083169554 344075022 /nfs/dbraw/zinc/07/50/22/344075022.db2.gz IEFGRVOAFDOCNY-GFCCVEGCSA-N 0 3 277.393 2.313 20 30 CEEDHN CCc1nn(C)cc1CNCCOc1ccc(C#N)cc1 ZINC000092409350 344187401 /nfs/dbraw/zinc/18/74/01/344187401.db2.gz QHKBGXWMAPVPLW-UHFFFAOYSA-N 0 3 284.363 2.023 20 30 CEEDHN CCOC(=O)C1(C)CCN(CCCSCC#N)CC1 ZINC000092836980 344205328 /nfs/dbraw/zinc/20/53/28/344205328.db2.gz WDPJLIGDBOBRHX-UHFFFAOYSA-N 0 3 284.425 2.298 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN1CCCC(C)(C)CC1)C1CC1 ZINC000127127771 344328675 /nfs/dbraw/zinc/32/86/75/344328675.db2.gz DAOSBOIIUPGYEZ-INIZCTEOSA-N 0 3 277.412 2.307 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCN(C)C(C)(C)C1 ZINC000130465047 344353001 /nfs/dbraw/zinc/35/30/01/344353001.db2.gz JPLWFXARWFWWLN-UHFFFAOYSA-N 0 3 273.380 2.093 20 30 CEEDHN C#CCCN1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000127232425 187290838 /nfs/dbraw/zinc/29/08/38/187290838.db2.gz HPLFCJRYSBCDGD-UHFFFAOYSA-N 0 3 294.402 2.013 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNCc1ncc[nH]1)C(C)C ZINC000150951011 344418857 /nfs/dbraw/zinc/41/88/57/344418857.db2.gz GQRSKTNJACTNOL-AWEZNQCLSA-N 0 3 262.401 2.198 20 30 CEEDHN CCOC(=O)CC[C@@H]1CCCN(CCCC#N)C1 ZINC000162358598 344467367 /nfs/dbraw/zinc/46/73/67/344467367.db2.gz JVEWTSUOQMUNIW-ZDUSSCGKSA-N 0 3 252.358 2.345 20 30 CEEDHN C[C@@H](CCC#N)CN[C@H]1CCN(c2ccccc2)C1=O ZINC000602534207 347069200 /nfs/dbraw/zinc/06/92/00/347069200.db2.gz HGBMGNUUTPWFMQ-ZFWWWQNUSA-N 0 3 271.364 2.321 20 30 CEEDHN C#CCN(C)CCCNc1cc(C)nc(-c2ccccn2)n1 ZINC000292888691 344689808 /nfs/dbraw/zinc/68/98/08/344689808.db2.gz VMVGPHBOCHCNFQ-UHFFFAOYSA-N 0 3 295.390 2.214 20 30 CEEDHN C=CCN1CCC(NC(=O)c2sccc2F)CC1 ZINC000339998557 344768602 /nfs/dbraw/zinc/76/86/02/344768602.db2.gz GBZUSGYUJDSJFD-UHFFFAOYSA-N 0 3 268.357 2.267 20 30 CEEDHN CC[C@H](C)CN(C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000343480692 344773113 /nfs/dbraw/zinc/77/31/13/344773113.db2.gz KOZLKFNIGIIZCZ-GZBFAFLISA-N 0 3 267.417 2.407 20 30 CEEDHN CN(c1cncc(C#N)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000401332692 530037624 /nfs/dbraw/zinc/03/76/24/530037624.db2.gz NYYOFWFHUCMXOA-INIZCTEOSA-N 0 3 293.374 2.059 20 30 CEEDHN C=CCOCC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000354557203 344804855 /nfs/dbraw/zinc/80/48/55/344804855.db2.gz CFLNSTZOTJBFOS-MRXNPFEDSA-N 0 3 290.407 2.388 20 30 CEEDHN C=C(Br)CN1C[C@@H]2CCC[C@@]2(C(=O)OC)C1 ZINC000364691291 344811815 /nfs/dbraw/zinc/81/18/15/344811815.db2.gz RWRCLJQHJMWPPZ-CMPLNLGQSA-N 0 3 288.185 2.170 20 30 CEEDHN CC[C@@H](C#N)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390817302 344838339 /nfs/dbraw/zinc/83/83/39/344838339.db2.gz NYRHFQMFEMMDIJ-HOTGVXAUSA-N 0 3 285.391 2.317 20 30 CEEDHN N#CCc1ccc(CN2CCN(CCCF)CC2)cc1 ZINC000402263870 344872274 /nfs/dbraw/zinc/87/22/74/344872274.db2.gz SJWVJMFTMLSAKS-UHFFFAOYSA-N 0 3 275.371 2.230 20 30 CEEDHN C#CCN(CC(C)(C)NC(=O)OC(C)(C)C)C1CC1 ZINC000491553997 344911979 /nfs/dbraw/zinc/91/19/79/344911979.db2.gz FOGBSOFMWFIJKP-UHFFFAOYSA-N 0 3 266.385 2.387 20 30 CEEDHN C#CCN(C(=O)[C@@H](CC)N(C)C)C1CCCCC1 ZINC000491620876 344912679 /nfs/dbraw/zinc/91/26/79/344912679.db2.gz HNEHYHMLXCMSMX-CQSZACIVSA-N 0 3 250.386 2.121 20 30 CEEDHN CCCN(C)CC(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000584691625 344977037 /nfs/dbraw/zinc/97/70/37/344977037.db2.gz QAUCZQRLUUEUHG-OAHLLOKOSA-N 0 3 265.401 2.307 20 30 CEEDHN C=C(C)[C@H](CO)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000586773522 345020350 /nfs/dbraw/zinc/02/03/50/345020350.db2.gz LOLMGYVQHJXOGD-AWEZNQCLSA-N 0 3 264.325 2.006 20 30 CEEDHN CCCN(CCN1CCCC1)Cc1ccnc(C#N)c1 ZINC000586779543 345020689 /nfs/dbraw/zinc/02/06/89/345020689.db2.gz FCTCMPCMXZXMCP-UHFFFAOYSA-N 0 3 272.396 2.261 20 30 CEEDHN CC(C#N)C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000587820887 345031093 /nfs/dbraw/zinc/03/10/93/345031093.db2.gz GAODWKSOSDMUER-MIGQKNRLSA-N 0 3 284.359 2.177 20 30 CEEDHN C[C@@H](CN(C)C)Nc1c(C#N)cnc2c(F)ccc(F)c21 ZINC000588086014 345038114 /nfs/dbraw/zinc/03/81/14/345038114.db2.gz CSCGJIUUVQHRJI-VIFPVBQESA-N 0 3 290.317 2.169 20 30 CEEDHN Cc1nsc(N[C@H]2CCN(CC3CC3)C2)c1C#N ZINC000588817953 345056612 /nfs/dbraw/zinc/05/66/12/345056612.db2.gz DWSXTRHITXDILI-NSHDSACASA-N 0 3 262.382 2.219 20 30 CEEDHN CC(C)(C)[C@H](O)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000588969661 345063017 /nfs/dbraw/zinc/06/30/17/345063017.db2.gz APSRSNFFQWITDA-OAHLLOKOSA-N 0 3 287.407 2.346 20 30 CEEDHN N#CCCC[C@@H](NCC(=O)Nc1ccon1)c1ccccc1 ZINC000590121685 345115392 /nfs/dbraw/zinc/11/53/92/345115392.db2.gz AZXLBJQHDPHKRT-CQSZACIVSA-N 0 3 298.346 2.060 20 30 CEEDHN CN(C)Cc1ccc(NC(=O)CC2(C#N)CC2)cc1 ZINC000590142205 345116977 /nfs/dbraw/zinc/11/69/77/345116977.db2.gz UZTAGORCCUCKET-UHFFFAOYSA-N 0 3 257.337 2.381 20 30 CEEDHN N#CCCOCCN1CCCO[C@@H](c2ccccc2)C1 ZINC000590158582 345118597 /nfs/dbraw/zinc/11/85/97/345118597.db2.gz DRHVIYCIPKNFAT-MRXNPFEDSA-N 0 3 274.364 2.380 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(C3CC3)C2)cc1 ZINC000589724626 345096198 /nfs/dbraw/zinc/09/61/98/345096198.db2.gz MUUPGEYYZUBZOR-HNNXBMFYSA-N 0 3 279.343 2.109 20 30 CEEDHN C=CCCOCC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000589951382 345106640 /nfs/dbraw/zinc/10/66/40/345106640.db2.gz REBNBKKTMCVYFW-HNNXBMFYSA-N 0 3 280.412 2.056 20 30 CEEDHN CN(CCN1CC[C@@](F)(C#N)C1)Cc1ccccc1 ZINC000590724056 345168934 /nfs/dbraw/zinc/16/89/34/345168934.db2.gz VROBZXOLJOTLMV-OAHLLOKOSA-N 0 3 261.344 2.056 20 30 CEEDHN C[C@@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)c1cccc(C#N)c1 ZINC000591354350 345243234 /nfs/dbraw/zinc/24/32/34/345243234.db2.gz IABYNHSIGMEODD-FRRDWIJNSA-N 0 3 286.379 2.011 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)CCCCCC#N)C1 ZINC000590889434 345195057 /nfs/dbraw/zinc/19/50/57/345195057.db2.gz BPNKHUDPYUYCFF-AWEZNQCLSA-N 0 3 265.401 2.402 20 30 CEEDHN CCOc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000591593218 345267541 /nfs/dbraw/zinc/26/75/41/345267541.db2.gz UXYPTPQWIPOAMH-DOMZBBRYSA-N 0 3 289.379 2.284 20 30 CEEDHN N#Cc1cnccc1CN1CCC[C@H]1C1CCOCC1 ZINC000592098220 345322049 /nfs/dbraw/zinc/32/20/49/345322049.db2.gz MWMQQGCJDZNCBS-INIZCTEOSA-N 0 3 271.364 2.344 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CCCC[C@H]1C1CCC1)C1CC1 ZINC000592197766 345336361 /nfs/dbraw/zinc/33/63/61/345336361.db2.gz JDIDPPHAQGMMRD-DOTOQJQBSA-N 0 3 289.423 2.449 20 30 CEEDHN N#CC[C@]1(O)CCN(C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000592522315 345365619 /nfs/dbraw/zinc/36/56/19/345365619.db2.gz LTNHLQLNPAOGMQ-OAGGEKHMSA-N 0 3 256.349 2.141 20 30 CEEDHN CC(C)[C@@H](CO)[C@H](NCc1ccncc1C#N)C(C)C ZINC000592124328 345326049 /nfs/dbraw/zinc/32/60/49/345326049.db2.gz CDGLRYAEYRVMHM-HZPDHXFCSA-N 0 3 275.396 2.332 20 30 CEEDHN CC(C)[C@H](NCc1nc(C#N)cs1)C1(CO)CC=CC1 ZINC000592178117 345334985 /nfs/dbraw/zinc/33/49/85/345334985.db2.gz WTORBKKEHLRJBS-AWEZNQCLSA-N 0 3 291.420 2.458 20 30 CEEDHN N#Cc1ccc(OC[C@H](O)CN2CCC23CCCC3)cc1 ZINC000592999647 345421056 /nfs/dbraw/zinc/42/10/56/345421056.db2.gz CCQZEBCYXQKBNV-OAHLLOKOSA-N 0 3 286.375 2.316 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000593011750 345422926 /nfs/dbraw/zinc/42/29/26/345422926.db2.gz VBLZBGQUZGNMGY-OLZOCXBDSA-N 0 3 273.384 2.096 20 30 CEEDHN COC(=O)[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1C1CC1 ZINC000593122677 345444406 /nfs/dbraw/zinc/44/44/06/345444406.db2.gz JTKOGWKTHVQBLY-JKSUJKDBSA-N 0 3 284.359 2.189 20 30 CEEDHN CCCN(C(=O)Cc1cccc(C#N)c1)[C@@H]1CCN(C)C1 ZINC000592828047 345400783 /nfs/dbraw/zinc/40/07/83/345400783.db2.gz AJXKFLWGLZSLEU-MRXNPFEDSA-N 0 3 285.391 2.043 20 30 CEEDHN CCCN(C(=O)c1cccc(C#N)c1)[C@@H]1CCN(C)C1 ZINC000592831875 345401833 /nfs/dbraw/zinc/40/18/33/345401833.db2.gz PVNTVOYJZSLTJY-OAHLLOKOSA-N 0 3 271.364 2.115 20 30 CEEDHN CCC(C#N)C(=O)N=c1cc(CCc2ccccc2)[nH][nH]1 ZINC000593482570 345495395 /nfs/dbraw/zinc/49/53/95/345495395.db2.gz UAGMRXIIPTZWHX-CYBMUJFWSA-N 0 3 282.347 2.105 20 30 CEEDHN Cc1cc(N(C)CCN2CCCCC2)cc(C#N)n1 ZINC000593516185 345502059 /nfs/dbraw/zinc/50/20/59/345502059.db2.gz NJSAWMZFJBKHAS-UHFFFAOYSA-N 0 3 258.369 2.184 20 30 CEEDHN C[C@@]1(NC(=O)CC2(C#N)CC2)CCN(Cc2ccccc2)C1 ZINC000593338108 345468615 /nfs/dbraw/zinc/46/86/15/345468615.db2.gz VQFMUXNKRAILOQ-QGZVFWFLSA-N 0 3 297.402 2.461 20 30 CEEDHN CCCN(C(=O)NCC1(C#N)CCCC1)[C@@H]1CCN(C)C1 ZINC000593433171 345485361 /nfs/dbraw/zinc/48/53/61/345485361.db2.gz IAOXZODELPHOTO-CQSZACIVSA-N 0 3 292.427 2.196 20 30 CEEDHN C[C@H](N[C@@H](CO)CCF)c1ccc(C#N)cc1F ZINC000593718366 345526348 /nfs/dbraw/zinc/52/63/48/345526348.db2.gz FUIBRSYBRDZYHO-GXSJLCMTSA-N 0 3 254.280 2.068 20 30 CEEDHN CCN1C[C@H](CN[C@H](C)c2ccc(C#N)cc2F)CC1=O ZINC000593720255 345527359 /nfs/dbraw/zinc/52/73/59/345527359.db2.gz AHXLXDZBGOMSFN-YPMHNXCESA-N 0 3 289.354 2.216 20 30 CEEDHN CC[C@@H](C#N)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000593739628 345530197 /nfs/dbraw/zinc/53/01/97/345530197.db2.gz FFVROBQTUUUQCF-NSHDSACASA-N 0 3 293.342 2.254 20 30 CEEDHN CCC(C#N)C(=O)N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000593749225 345532681 /nfs/dbraw/zinc/53/26/81/345532681.db2.gz BXYPUPOFKZJACL-XQQFMLRXSA-N 0 3 294.395 2.362 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@](C)(c2cccc(F)c2)C1 ZINC000593760910 345533777 /nfs/dbraw/zinc/53/37/77/345533777.db2.gz FNFRDEBARYJWAC-NHYWBVRUSA-N 0 3 260.312 2.475 20 30 CEEDHN CC(C#N)C(=O)N1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000593852057 345545497 /nfs/dbraw/zinc/54/54/97/345545497.db2.gz VBHHRFCEKIDYCM-NEPJUHHUSA-N 0 3 280.368 2.259 20 30 CEEDHN CCOC(=O)CC(C)(C)N(C)Cc1ccc(C#N)cn1 ZINC000593968904 345558249 /nfs/dbraw/zinc/55/82/49/345558249.db2.gz MZLDRRQPNMSZEL-UHFFFAOYSA-N 0 3 275.352 2.117 20 30 CEEDHN CCCN(CCN1CCCC1)C(=O)CCCCC#N ZINC000594024101 345568565 /nfs/dbraw/zinc/56/85/65/345568565.db2.gz YSHDKOKMAWICLW-UHFFFAOYSA-N 0 3 265.401 2.405 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000593613361 345513290 /nfs/dbraw/zinc/51/32/90/345513290.db2.gz NZNQBQOXXCVVBF-NFAWXSAZSA-N 0 3 273.380 2.344 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594195214 345597052 /nfs/dbraw/zinc/59/70/52/345597052.db2.gz DKWCSWHVBOCBFS-GZBFAFLISA-N 0 3 263.385 2.059 20 30 CEEDHN N#CCc1cccc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594201226 345597909 /nfs/dbraw/zinc/59/79/09/345597909.db2.gz OWJXFLVPFCMYQT-SJORKVTESA-N 0 3 297.402 2.499 20 30 CEEDHN CC(C)(C)N1CCCN(C(=O)CCCCC#N)CC1 ZINC000594258600 345606437 /nfs/dbraw/zinc/60/64/37/345606437.db2.gz PDFIUUGKWYNELA-UHFFFAOYSA-N 0 3 265.401 2.403 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)CCCCC#N ZINC000594281140 345607631 /nfs/dbraw/zinc/60/76/31/345607631.db2.gz BKXPOISEUHVLHQ-KBPBESRZSA-N 0 3 265.401 2.449 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594409431 345623466 /nfs/dbraw/zinc/62/34/66/345623466.db2.gz VTNXTOOUGGAZGX-INIZCTEOSA-N 0 3 283.375 2.275 20 30 CEEDHN COc1cc(NC(=O)[C@@H](N)CCCCC#N)cc(OC)c1 ZINC000594424362 345625249 /nfs/dbraw/zinc/62/52/49/345625249.db2.gz BPIMPZJOUZKXTF-AWEZNQCLSA-N 0 3 291.351 2.054 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCCC1CCCC1 ZINC000594426217 345625604 /nfs/dbraw/zinc/62/56/04/345625604.db2.gz DHXHPIPEKITXNF-CQSZACIVSA-N 0 3 265.401 2.484 20 30 CEEDHN Cc1ccc(CN(C)C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594426970 345626293 /nfs/dbraw/zinc/62/62/93/345626293.db2.gz UBZYQMDRLULPQJ-OAHLLOKOSA-N 0 3 273.380 2.365 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(Cl)s1 ZINC000594428652 345627049 /nfs/dbraw/zinc/62/70/49/345627049.db2.gz NRRKOPCXERIODJ-SNVBAGLBSA-N 0 3 285.800 2.429 20 30 CEEDHN CCCCc1nnc(NC(=O)[C@@H](N)CCCCC#N)s1 ZINC000594427481 345627563 /nfs/dbraw/zinc/62/75/63/345627563.db2.gz UWJGMZORQVJHKA-JTQLQIEISA-N 0 3 295.412 2.230 20 30 CEEDHN CN(CCc1ccc(F)cc1)C(=O)[C@@H](N)CCCCC#N ZINC000594428119 345627587 /nfs/dbraw/zinc/62/75/87/345627587.db2.gz JVSCGYOGWTXYCM-HNNXBMFYSA-N 0 3 291.370 2.238 20 30 CEEDHN Cc1ccccc1C[C@@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000594429138 345627750 /nfs/dbraw/zinc/62/77/50/345627750.db2.gz QYHSEJFGPAZCRK-ZBFHGGJFSA-N 0 3 287.407 2.454 20 30 CEEDHN C[C@@H](Cc1ccccc1F)NC(=O)[C@H](N)CCCCC#N ZINC000594429426 345627990 /nfs/dbraw/zinc/62/79/90/345627990.db2.gz UBPHUYZIBSHTSD-SWLSCSKDSA-N 0 3 291.370 2.284 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000594431685 345628409 /nfs/dbraw/zinc/62/84/09/345628409.db2.gz PRNVVKGDUYTGOY-SOUVJXGZSA-N 0 3 289.354 2.209 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCc1c(F)cccc1F ZINC000594430177 345628447 /nfs/dbraw/zinc/62/84/47/345628447.db2.gz ZWHFZXNXXIBBCV-CQSZACIVSA-N 0 3 295.333 2.035 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCCc2sccc2C1 ZINC000594434109 345629310 /nfs/dbraw/zinc/62/93/10/345629310.db2.gz KWQNOTDRNDNINY-CYBMUJFWSA-N 0 3 291.420 2.434 20 30 CEEDHN CC1(C)CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594435084 345629699 /nfs/dbraw/zinc/62/96/99/345629699.db2.gz AKCRWNVVIOGHMV-LBPRGKRZSA-N 0 3 251.374 2.046 20 30 CEEDHN CC1(CNC(=O)[C@H](N)CCCCC#N)CCCC1 ZINC000594434936 345630097 /nfs/dbraw/zinc/63/00/97/345630097.db2.gz WYERSBAOXIMSJT-GFCCVEGCSA-N 0 3 251.374 2.094 20 30 CEEDHN C[C@@H]1CC[C@H](NC(=O)[C@H](N)CCCCC#N)[C@H](C)C1 ZINC000594434935 345630111 /nfs/dbraw/zinc/63/01/11/345630111.db2.gz WXTAYPWGSXQLSJ-SYQHCUMBSA-N 0 3 265.401 2.339 20 30 CEEDHN CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccncc1 ZINC000594438163 345630570 /nfs/dbraw/zinc/63/05/70/345630570.db2.gz MTDOIQBXMTWOIY-UONOGXRCSA-N 0 3 274.368 2.060 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000594438125 345630818 /nfs/dbraw/zinc/63/08/18/345630818.db2.gz GWNJWELBHONIJR-LSDHHAIUSA-N 0 3 286.379 2.156 20 30 CEEDHN CCN(C(=O)[C@H](N)CCCCC#N)[C@H](C)c1cccnc1 ZINC000594438987 345631499 /nfs/dbraw/zinc/63/14/99/345631499.db2.gz XXJZFPLBNLTEMO-UKRRQHHQSA-N 0 3 288.395 2.402 20 30 CEEDHN Cc1nc2cc(NC(=O)[C@@H](N)CCCCC#N)ccc2o1 ZINC000594445206 345632678 /nfs/dbraw/zinc/63/26/78/345632678.db2.gz BRVVGSWGLBJREK-LBPRGKRZSA-N 0 3 286.335 2.486 20 30 CEEDHN CC(C)C[C@@H]1C[C@@H](NC(=O)[C@H](N)CCCCC#N)CCO1 ZINC000594444869 345632849 /nfs/dbraw/zinc/63/28/49/345632849.db2.gz DOFLTEOUMORDEN-RRFJBIMHSA-N 0 3 295.427 2.108 20 30 CEEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cn1 ZINC000594455882 345635624 /nfs/dbraw/zinc/63/56/24/345635624.db2.gz DHXDPRBIWCFDQI-PWSUYJOCSA-N 0 3 294.786 2.323 20 30 CEEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)C1CCC(F)(F)CC1 ZINC000594456016 345635756 /nfs/dbraw/zinc/63/57/56/345635756.db2.gz JVICRVXOOXVVDN-ZYHUDNBSSA-N 0 3 287.354 2.338 20 30 CEEDHN CCC[C@H](N)c1cn(Cc2ccc(C#N)cc2F)nn1 ZINC000594650284 345666278 /nfs/dbraw/zinc/66/62/78/345666278.db2.gz RWTTXNURSRKOEA-ZDUSSCGKSA-N 0 3 273.315 2.137 20 30 CEEDHN N#Cc1ccc(Cn2cc(CNC3CCCC3)nn2)c(F)c1 ZINC000594649539 345666501 /nfs/dbraw/zinc/66/65/01/345666501.db2.gz KOACOBHIGCTXMX-UHFFFAOYSA-N 0 3 299.353 2.369 20 30 CEEDHN N#Cc1nc(N[C@@H]2CCCN3CCCC[C@@H]23)ccc1Cl ZINC000594596655 345655742 /nfs/dbraw/zinc/65/57/42/345655742.db2.gz AXEJTRIOPMERMK-OCCSQVGLSA-N 0 3 290.798 2.457 20 30 CEEDHN N#Cc1cccc(NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000594597889 345655770 /nfs/dbraw/zinc/65/57/70/345655770.db2.gz YZKLBKJFIFYLSN-MRXNPFEDSA-N 0 3 271.364 2.223 20 30 CEEDHN N#Cc1cccc(N[C@@H]2CCCN3CCCC[C@H]23)n1 ZINC000594600581 345656810 /nfs/dbraw/zinc/65/68/10/345656810.db2.gz MGLCKEKGPAGJSK-ZIAGYGMSSA-N 0 3 256.353 2.382 20 30 CEEDHN CCC(C)(C)[C@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000595257114 345749470 /nfs/dbraw/zinc/74/94/70/345749470.db2.gz QIHPVULORIUYHC-RYUDHWBXSA-N 0 3 253.390 2.339 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000602580461 347087337 /nfs/dbraw/zinc/08/73/37/347087337.db2.gz ATSYZGJDQUJXCF-OAGGEKHMSA-N 0 3 283.375 2.391 20 30 CEEDHN CN(C)c1ncc(CNCCc2ccc(C#N)cc2)s1 ZINC000594954156 345714975 /nfs/dbraw/zinc/71/49/75/345714975.db2.gz CLFRIBBYWMHEBK-UHFFFAOYSA-N 0 3 286.404 2.413 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2C[C@@H](O)C23CCC3)c(F)c1 ZINC000594987264 345722002 /nfs/dbraw/zinc/72/20/02/345722002.db2.gz JUWHJZOMNZVRBG-ZIAGYGMSSA-N 0 3 260.312 2.090 20 30 CEEDHN C[C@@H]1CCC[C@H](CNCc2cnc3ccc(C#N)cn23)O1 ZINC000594984631 345722066 /nfs/dbraw/zinc/72/20/66/345722066.db2.gz KFMITQJDSSGVDW-IUODEOHRSA-N 0 3 284.363 2.253 20 30 CEEDHN N#Cc1ccc(CCN[C@H]2CCCn3ccnc32)cc1 ZINC000595056490 345736057 /nfs/dbraw/zinc/73/60/57/345736057.db2.gz JCIKTVOSORNNKV-HNNXBMFYSA-N 0 3 266.348 2.422 20 30 CEEDHN C=CCCSCCN[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000595060172 345737489 /nfs/dbraw/zinc/73/74/89/345737489.db2.gz TXNVKNIWHSMYES-OLZOCXBDSA-N 0 3 291.482 2.241 20 30 CEEDHN CCCCN(C)CCNC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595546893 345809016 /nfs/dbraw/zinc/80/90/16/345809016.db2.gz KMUYOVRQRUQRCZ-AWEZNQCLSA-N 0 3 280.416 2.054 20 30 CEEDHN C[C@@H](CNC(=O)NCC1(C#N)CCCCC1)N(C)C1CC1 ZINC000595550779 345810033 /nfs/dbraw/zinc/81/00/33/345810033.db2.gz CHXHVZDYHUWSSC-ZDUSSCGKSA-N 0 3 292.427 2.242 20 30 CEEDHN COCC1=CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595442843 345784174 /nfs/dbraw/zinc/78/41/74/345784174.db2.gz WVRPNPTWKDJHMK-UHFFFAOYSA-N 0 3 256.349 2.379 20 30 CEEDHN N#Cc1ccc(CCN2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000595452504 345786066 /nfs/dbraw/zinc/78/60/66/345786066.db2.gz MYEUVIACRNKYQJ-UHFFFAOYSA-N 0 3 297.402 2.045 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595744378 345864053 /nfs/dbraw/zinc/86/40/53/345864053.db2.gz WUDSPKPPXBCPMO-VXGBXAGGSA-N 0 3 274.364 2.016 20 30 CEEDHN C[C@@]12COC[C@]1(C)CN(Cc1ccc(C#N)cc1)C2 ZINC000595691107 345849700 /nfs/dbraw/zinc/84/97/00/345849700.db2.gz YZAVMUZHJAIAQF-IYBDPMFKSA-N 0 3 256.349 2.417 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)C1 ZINC000595700318 345853462 /nfs/dbraw/zinc/85/34/62/345853462.db2.gz YWCFQGCQQCTKBQ-ZDUSSCGKSA-N 0 3 292.427 2.194 20 30 CEEDHN N#CC1(NC(=O)CN2CC[C@H](C3CCCCC3)C2)CCC1 ZINC000595742270 345864306 /nfs/dbraw/zinc/86/43/06/345864306.db2.gz YIKUZIAWBQZTBH-HNNXBMFYSA-N 0 3 289.423 2.451 20 30 CEEDHN Cc1cc(CN2C[C@H](C)C(O)[C@@H](C)C2)ccc1C#N ZINC000595734010 345862393 /nfs/dbraw/zinc/86/23/93/345862393.db2.gz SSAGNEMGITWVJW-STQMWFEESA-N 0 3 258.365 2.315 20 30 CEEDHN Cc1ccccc1OC[C@H](O)CN1CCC[C@H](CC#N)C1 ZINC000595609505 345826204 /nfs/dbraw/zinc/82/62/04/345826204.db2.gz LHELJHZAQNYVRP-HZPDHXFCSA-N 0 3 288.391 2.360 20 30 CEEDHN CC(C)(NCCn1ccnc1)c1cccc(C#N)c1 ZINC000595641027 345835307 /nfs/dbraw/zinc/83/53/07/345835307.db2.gz XBCZIRSLNGHJOP-UHFFFAOYSA-N 0 3 254.337 2.280 20 30 CEEDHN C=CC[C@H]1CCCN([C@H](C(=O)OC)C2(OC)CCC2)C1 ZINC000595658387 345839919 /nfs/dbraw/zinc/83/99/19/345839919.db2.gz IDVQCXKTIRCKGU-UONOGXRCSA-N 0 3 281.396 2.385 20 30 CEEDHN CN(CCN1CC[C@@](C)(C#N)C1)Cc1ccccc1 ZINC000595842869 345896011 /nfs/dbraw/zinc/89/60/11/345896011.db2.gz VYVDBAXXSHEKPI-INIZCTEOSA-N 0 3 257.381 2.354 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CCCC[C@H]1CC1CCC1 ZINC000595868035 345901294 /nfs/dbraw/zinc/90/12/94/345901294.db2.gz QUIPQAOSMNESKU-AWEZNQCLSA-N 0 3 293.411 2.043 20 30 CEEDHN CC12CC(C1)CN2CCC(=O)Nc1sccc1C#N ZINC000595917263 345912718 /nfs/dbraw/zinc/91/27/18/345912718.db2.gz YLAACVNDVPXDTN-UHFFFAOYSA-N 0 3 275.377 2.433 20 30 CEEDHN CC1(C)CN(C(=O)[C@@H](N)CCCC#N)[C@@H]1c1cccnc1 ZINC000595946799 345917420 /nfs/dbraw/zinc/91/74/20/345917420.db2.gz HKDFBBUUMMOJQS-UONOGXRCSA-N 0 3 286.379 2.012 20 30 CEEDHN CC(C)N1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000127492153 187310993 /nfs/dbraw/zinc/31/09/93/187310993.db2.gz NIUVEELDNRLHSO-UHFFFAOYSA-N 0 3 260.356 2.203 20 30 CEEDHN CC1(C)C[C@]1(CNC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000595987838 345921276 /nfs/dbraw/zinc/92/12/76/345921276.db2.gz YSCFMMUUZJACIU-YJBOKZPZSA-N 0 3 299.418 2.492 20 30 CEEDHN N#Cc1cc2cccnc2nc1NCCN1CCCCC1 ZINC000596076197 345933999 /nfs/dbraw/zinc/93/39/99/345933999.db2.gz MPSWOCRKEXKLJO-UHFFFAOYSA-N 0 3 281.363 2.399 20 30 CEEDHN Cc1cc(NCCN(C)C2CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596087087 345936519 /nfs/dbraw/zinc/93/65/19/345936519.db2.gz FNZDIQUKNYEJRR-UHFFFAOYSA-N 0 3 274.324 2.281 20 30 CEEDHN CCN1CCCN(c2ncc3c(c2C#N)CCC3)[C@H](C)C1 ZINC000596268033 345986264 /nfs/dbraw/zinc/98/62/64/345986264.db2.gz CFWQUOFKBKUYMU-CYBMUJFWSA-N 0 3 284.407 2.362 20 30 CEEDHN CC(C)N1CCCC[C@H]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000596274835 345988864 /nfs/dbraw/zinc/98/88/64/345988864.db2.gz JTURCNMRMPNKDQ-HNNXBMFYSA-N 0 3 299.418 2.472 20 30 CEEDHN CN(CC1CN(C)C1)c1ccc(C#N)cc1Br ZINC000596454784 346028058 /nfs/dbraw/zinc/02/80/58/346028058.db2.gz UWGFGZQWSSWXPC-UHFFFAOYSA-N 0 3 294.196 2.319 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)N1CCC[C@H](CC#N)C1 ZINC000596480583 346034059 /nfs/dbraw/zinc/03/40/59/346034059.db2.gz SKACMLFHDPZSAH-CABCVRRESA-N 0 3 292.427 2.196 20 30 CEEDHN C[C@@H](CC#N)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000596674535 346075943 /nfs/dbraw/zinc/07/59/43/346075943.db2.gz IBGIXZKFSDZDDG-HOCLYGCPSA-N 0 3 285.391 2.489 20 30 CEEDHN C=CCCSCCNC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000596717209 346079554 /nfs/dbraw/zinc/07/95/54/346079554.db2.gz GBNWTQKPKVMHLX-CYBMUJFWSA-N 0 3 285.457 2.031 20 30 CEEDHN CCN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@@H]1CCN(CC)C1 ZINC000596611504 346065371 /nfs/dbraw/zinc/06/53/71/346065371.db2.gz GVUYROYTCNKSBX-SOUVJXGZSA-N 0 3 292.427 2.194 20 30 CEEDHN N#Cc1ccc(OCCN[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597061597 346122850 /nfs/dbraw/zinc/12/28/50/346122850.db2.gz QJAXYIRKZHXYAE-HOCLYGCPSA-N 0 3 272.348 2.094 20 30 CEEDHN COC(=O)CC(C)(C)C[C@@H](C)NCC(C)(C)C#N ZINC000597083837 346126069 /nfs/dbraw/zinc/12/60/69/346126069.db2.gz VAXIUZKHXYYPLE-LLVKDONJSA-N 0 3 254.374 2.494 20 30 CEEDHN CN(C)CCN(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597127141 346131208 /nfs/dbraw/zinc/13/12/08/346131208.db2.gz LYTHRJZEXDWRTK-UHFFFAOYSA-N 0 3 257.381 2.235 20 30 CEEDHN C[C@@H](CC#N)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000597361863 346176624 /nfs/dbraw/zinc/17/66/24/346176624.db2.gz BJZWFYIFGPLYFQ-LBPRGKRZSA-N 0 3 279.409 2.188 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000597372278 346177890 /nfs/dbraw/zinc/17/78/90/346177890.db2.gz QOBYEOYMMHCBTC-YCPHGPKFSA-N 0 3 285.391 2.315 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000597521653 346197802 /nfs/dbraw/zinc/19/78/02/346197802.db2.gz VAMGYRRUJSFRRN-FMKPAKJESA-N 0 3 285.391 2.173 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000597860188 346240445 /nfs/dbraw/zinc/24/04/45/346240445.db2.gz LJWVUYXQEXCCKH-DYVFJYSZSA-N 0 3 289.423 2.449 20 30 CEEDHN CC(C#N)C(=O)NCc1cccc(OC2CC2)c1F ZINC000598140040 346299778 /nfs/dbraw/zinc/29/97/78/346299778.db2.gz IUWXSSHRBUHGJZ-SECBINFHSA-N 0 3 262.284 2.143 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cccc(C#N)c1 ZINC000598261486 346316100 /nfs/dbraw/zinc/31/61/00/346316100.db2.gz FUKTZLCANLBTMC-CQSZACIVSA-N 0 3 285.391 2.408 20 30 CEEDHN CC(C)[C@@H](O)[C@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000598354597 346335604 /nfs/dbraw/zinc/33/56/04/346335604.db2.gz XMLLHNILJWRRTL-MRVWCRGKSA-N 0 3 260.337 2.020 20 30 CEEDHN CC[C@@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@H](C)N1 ZINC000598532238 346372018 /nfs/dbraw/zinc/37/20/18/346372018.db2.gz VWQKVJKXBWENRC-GXFFZTMASA-N 0 3 291.782 2.424 20 30 CEEDHN CC(C)[C@@H]1CN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CCN1 ZINC000598577013 346377064 /nfs/dbraw/zinc/37/70/64/346377064.db2.gz ZMGLFXPGPRXNNZ-YOEHRIQHSA-N 0 3 299.418 2.193 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CC(Cc2ccccc2)C1 ZINC000598600612 346381733 /nfs/dbraw/zinc/38/17/33/346381733.db2.gz VIGVXXRSHYIKKS-INIZCTEOSA-N 0 3 272.392 2.462 20 30 CEEDHN CC(C)n1cc([C@@H](C)NC[C@H](O)CC(C)(C)C#N)cn1 ZINC000598605167 346382547 /nfs/dbraw/zinc/38/25/47/346382547.db2.gz AOTRNTPAGCNFJA-TZMCWYRMSA-N 0 3 278.400 2.415 20 30 CEEDHN COc1cnccc1[C@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598605860 346383483 /nfs/dbraw/zinc/38/34/83/346383483.db2.gz DKJZVNICQIMPGD-NWDGAFQWSA-N 0 3 277.368 2.042 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCc2c1cccc2O ZINC000598617524 346384659 /nfs/dbraw/zinc/38/46/59/346384659.db2.gz JUMUSMSKWLQDFD-SMDDNHRTSA-N 0 3 274.364 2.270 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCSC[C@@H]1C1CC1 ZINC000598620612 346385930 /nfs/dbraw/zinc/38/59/30/346385930.db2.gz LTAPNHBZLYIPQY-QWHCGFSZSA-N 0 3 268.426 2.115 20 30 CEEDHN COc1ccc(CNC[C@H](O)CC(C)(C)C#N)c(F)c1 ZINC000598723313 346408588 /nfs/dbraw/zinc/40/85/88/346408588.db2.gz GHGXEIOIDRECRC-GFCCVEGCSA-N 0 3 280.343 2.225 20 30 CEEDHN CCc1cnccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598723774 346408698 /nfs/dbraw/zinc/40/86/98/346408698.db2.gz KGSYJIROROICMO-CQSZACIVSA-N 0 3 261.369 2.034 20 30 CEEDHN COc1ccc(CN2CC[C@@H](C)[C@@H](CO)C2)cc1C#N ZINC000598648033 346392397 /nfs/dbraw/zinc/39/23/97/346392397.db2.gz QYTHKHBVNKCXFD-IUODEOHRSA-N 0 3 274.364 2.017 20 30 CEEDHN CN(Cc1ccsc1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599257770 346485835 /nfs/dbraw/zinc/48/58/35/346485835.db2.gz LUFHGCFXCLOTAT-AWEZNQCLSA-N 0 3 294.420 2.251 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CO)Cc2ccccc2)c(F)c1 ZINC000063219425 362762890 /nfs/dbraw/zinc/76/28/90/362762890.db2.gz KKHGPOYVODPFSU-MRXNPFEDSA-N 0 3 284.334 2.391 20 30 CEEDHN Cc1cc(NC(=O)[C@H](N)CCCCC#N)cs1 ZINC000602600705 347095339 /nfs/dbraw/zinc/09/53/39/347095339.db2.gz IBFYCIFVAYHFDB-LLVKDONJSA-N 0 3 251.355 2.406 20 30 CEEDHN Cc1ccc(CN2CC[C@H](CCCO)C2)cc1C#N ZINC000599437038 346520657 /nfs/dbraw/zinc/52/06/57/346520657.db2.gz LTBNZQPDHQPSPP-AWEZNQCLSA-N 0 3 258.365 2.461 20 30 CEEDHN Cc1ccc(CN2CCC[C@H]([C@H](C)O)C2)cc1C#N ZINC000599334987 346501102 /nfs/dbraw/zinc/50/11/02/346501102.db2.gz LOKFBXSKPLGAMZ-ZFWWWQNUSA-N 0 3 258.365 2.460 20 30 CEEDHN N#CC1(C[C@H](O)CN2CC(Cc3ccccc3)C2)CC1 ZINC000599337972 346501463 /nfs/dbraw/zinc/50/14/63/346501463.db2.gz NQNALRCKEGRBMT-INIZCTEOSA-N 0 3 270.376 2.216 20 30 CEEDHN C=CCN(CCC(=O)OCC)Cc1cccc(C#N)c1 ZINC000063388234 362766433 /nfs/dbraw/zinc/76/64/33/362766433.db2.gz HLFZNAHZFDGVJK-UHFFFAOYSA-N 0 3 272.348 2.499 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1F ZINC000599683526 346564210 /nfs/dbraw/zinc/56/42/10/346564210.db2.gz LNZHEBQTTLHQQQ-NILFDRSVSA-N 0 3 260.312 2.043 20 30 CEEDHN Cc1c[nH]c(CN(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000600162471 346610676 /nfs/dbraw/zinc/61/06/76/346610676.db2.gz ZLDJTWRADMTCSE-UHFFFAOYSA-N 0 3 297.406 2.154 20 30 CEEDHN Cc1ccc([C@@H](C)CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000600167596 346611753 /nfs/dbraw/zinc/61/17/53/346611753.db2.gz POIAPKMMXGLOMS-HOCLYGCPSA-N 0 3 258.365 2.449 20 30 CEEDHN C=CC[C@@H]1CCN(Cc2cc(C(=O)OC)n(C)c2)C1 ZINC000600186047 346617675 /nfs/dbraw/zinc/61/76/75/346617675.db2.gz NTFYTIJENZJAGW-GFCCVEGCSA-N 0 3 262.353 2.210 20 30 CEEDHN N#CCc1cccc2c1CCN(CC1=CCCOC1)C2 ZINC000600212793 346624741 /nfs/dbraw/zinc/62/47/41/346624741.db2.gz JVIHWFOHHFJFRE-UHFFFAOYSA-N 0 3 268.360 2.457 20 30 CEEDHN C[C@H](CNC(=O)C1(C#N)CC2(CC2)C1)N1CCC[C@@H](C)C1 ZINC000600997882 346728681 /nfs/dbraw/zinc/72/86/81/346728681.db2.gz NQGLPYWNOGCXIW-ZIAGYGMSSA-N 0 3 289.423 2.307 20 30 CEEDHN N#CC1(C[C@@H](O)CNCc2ccc(Cl)cc2)CC1 ZINC000600713598 346676684 /nfs/dbraw/zinc/67/66/84/346676684.db2.gz JWXRDCRJQUNONU-CYBMUJFWSA-N 0 3 264.756 2.484 20 30 CEEDHN C[C@H](C1CC1)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000600983267 346726194 /nfs/dbraw/zinc/72/61/94/346726194.db2.gz JHBPOMDWBZETEI-MLGOLLRUSA-N 0 3 281.359 2.497 20 30 CEEDHN N#CC1(C[C@@H](O)CNCc2ccc(Cl)o2)CC1 ZINC000600717730 346677261 /nfs/dbraw/zinc/67/72/61/346677261.db2.gz MORCSTSVVZHYOL-SECBINFHSA-N 0 3 254.717 2.077 20 30 CEEDHN CCCOc1ncccc1CNC[C@H](O)CC1(C#N)CC1 ZINC000600721080 346678215 /nfs/dbraw/zinc/67/82/15/346678215.db2.gz KWWQSIHVHKUBKK-CQSZACIVSA-N 0 3 289.379 2.015 20 30 CEEDHN N#Cc1ccc(-c2cccc([C@@H]3CNCCO3)c2)c(CO)c1 ZINC000600781317 346689304 /nfs/dbraw/zinc/68/93/04/346689304.db2.gz XPKXRDOFEHFOBY-SFHVURJKSA-N 0 3 294.354 2.378 20 30 CEEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(=O)[nH]c1 ZINC000601118186 346757881 /nfs/dbraw/zinc/75/78/81/346757881.db2.gz JLMNHUQZNPSGOZ-OAHLLOKOSA-N 0 3 265.316 2.436 20 30 CEEDHN C[C@H](CCC#N)CN1CCN(C(=O)C2CC2)CC1(C)C ZINC000602617444 347105966 /nfs/dbraw/zinc/10/59/66/347105966.db2.gz PFFNJYJLDKHXJD-CYBMUJFWSA-N 0 3 277.412 2.259 20 30 CEEDHN CC(C)[C@@H](CNCc1cccc(C#N)n1)c1ccnn1C ZINC000602629257 347111613 /nfs/dbraw/zinc/11/16/13/347111613.db2.gz GRXIYMNREDHBTL-OAHLLOKOSA-N 0 3 283.379 2.216 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCc3cc(O)ccc3C2)n1 ZINC000602635414 347116368 /nfs/dbraw/zinc/11/63/68/347116368.db2.gz YINQKKKQXWJJIH-AWEZNQCLSA-N 0 3 279.343 2.306 20 30 CEEDHN Cc1ccc(CN(CCO)C[C@H](C)CCC#N)o1 ZINC000602644228 347119748 /nfs/dbraw/zinc/11/97/48/347119748.db2.gz LDXUFPLVMLLSER-GFCCVEGCSA-N 0 3 250.342 2.322 20 30 CEEDHN CC(C)(CNCc1cccc(C#N)n1)C1(O)CCCC1 ZINC000602681003 347142010 /nfs/dbraw/zinc/14/20/10/347142010.db2.gz HGSZMGWXXZATHZ-UHFFFAOYSA-N 0 3 273.380 2.374 20 30 CEEDHN COCCN(Cc1c(C)nn(C)c1C)C[C@H](C)CCC#N ZINC000602688774 347147832 /nfs/dbraw/zinc/14/78/32/347147832.db2.gz AFCVAEIVWNCWQB-CYBMUJFWSA-N 0 3 292.427 2.425 20 30 CEEDHN N#Cc1cccc(CNC2(CO)C3CC4CC(C3)CC2C4)n1 ZINC000602688499 347147984 /nfs/dbraw/zinc/14/79/84/347147984.db2.gz BKILHXKHHFXSHO-UHFFFAOYSA-N 0 3 297.402 2.230 20 30 CEEDHN CO[C@@H](CNCC1(C#N)CCCC1)C1CCOCC1 ZINC000602698354 347154270 /nfs/dbraw/zinc/15/42/70/347154270.db2.gz HLMIZPXZFPYYCZ-AWEZNQCLSA-N 0 3 266.385 2.102 20 30 CEEDHN C[C@H](NCC1(C#N)CCCC1)C(C)(C)n1cncn1 ZINC000602699275 347155545 /nfs/dbraw/zinc/15/55/45/347155545.db2.gz LYEUSQIJBQHEDT-LBPRGKRZSA-N 0 3 261.373 2.075 20 30 CEEDHN C[C@H](c1ccccc1)[C@@H](O)CNCc1cccc(C#N)n1 ZINC000602720276 347169821 /nfs/dbraw/zinc/16/98/21/347169821.db2.gz AKIDFRFOWIMJIN-DYVFJYSZSA-N 0 3 281.359 2.207 20 30 CEEDHN N#CCC1(CN2CCC[C@@H](c3nnc4n3CCC4)C2)CC1 ZINC000602775021 347193669 /nfs/dbraw/zinc/19/36/69/347193669.db2.gz DBYJZCFQPNLZBV-CYBMUJFWSA-N 0 3 285.395 2.098 20 30 CEEDHN CC(C)(C)[C@H]1CCN(CC2(CC#N)CC2)C[C@@H]1O ZINC000602802239 347204786 /nfs/dbraw/zinc/20/47/86/347204786.db2.gz PGHFGALMZVVOEP-STQMWFEESA-N 0 3 250.386 2.409 20 30 CEEDHN C[C@@H]1CN(CCCOc2ccccc2)C[C@@H](C)N1CC#N ZINC000602859174 347227137 /nfs/dbraw/zinc/22/71/37/347227137.db2.gz WVSIMEAQQCAPGI-HZPDHXFCSA-N 0 3 287.407 2.374 20 30 CEEDHN CCN(CCCC#N)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000602893053 347239893 /nfs/dbraw/zinc/23/98/93/347239893.db2.gz SINQMONQPZCNNH-LLVKDONJSA-N 0 3 263.307 2.249 20 30 CEEDHN CO[C@@H](C)CN1CCC(Nc2ccccc2C#N)CC1 ZINC000602894349 347239969 /nfs/dbraw/zinc/23/99/69/347239969.db2.gz LXIRAYSCLDFDAT-ZDUSSCGKSA-N 0 3 273.380 2.469 20 30 CEEDHN N#CCCOCCN1CCC(Nc2ccccc2C#N)CC1 ZINC000602900965 347241715 /nfs/dbraw/zinc/24/17/15/347241715.db2.gz PSANHPYJKJNYQR-UHFFFAOYSA-N 0 3 298.390 2.365 20 30 CEEDHN COC[C@H](C)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602903031 347242793 /nfs/dbraw/zinc/24/27/93/347242793.db2.gz YWFHGXVAHLMGCL-ZDUSSCGKSA-N 0 3 273.380 2.469 20 30 CEEDHN CCOC(=O)CCCCN(C)[C@@H]1CCC[C@@H]1C#N ZINC000602978943 347262951 /nfs/dbraw/zinc/26/29/51/347262951.db2.gz ZASAQXAGIHWKGK-CHWSQXEVSA-N 0 3 252.358 2.344 20 30 CEEDHN N#Cc1ccc(Cn2cc(CNC3CCCC3)nn2)cc1 ZINC000603159966 347300182 /nfs/dbraw/zinc/30/01/82/347300182.db2.gz FCXXPQVWQRFEJH-UHFFFAOYSA-N 0 3 281.363 2.230 20 30 CEEDHN CCN1CCN(c2ccc(C#N)cc2COC)C[C@@H]1C ZINC000603326486 347339022 /nfs/dbraw/zinc/33/90/22/347339022.db2.gz NGZPDLABNQIVGM-ZDUSSCGKSA-N 0 3 273.380 2.235 20 30 CEEDHN N#Cc1ccc(CNC[C@@H]2CCCC[C@H]2O)c(F)c1 ZINC000085986605 179212352 /nfs/dbraw/zinc/21/23/52/179212352.db2.gz VGTRHWOAVFOVOV-DZGCQCFKSA-N 0 3 262.328 2.338 20 30 CEEDHN CC(C)(C)[C@H](N)c1cn(CCOc2cccc(C#N)c2)nn1 ZINC000603208013 347309022 /nfs/dbraw/zinc/30/90/22/347309022.db2.gz HLPITDOEXBXIPE-OAHLLOKOSA-N 0 3 299.378 2.275 20 30 CEEDHN N#C[C@H](c1ccccc1)n1cc(CCN2CCCCC2)nn1 ZINC000603221988 347313087 /nfs/dbraw/zinc/31/30/87/347313087.db2.gz QKFWHWQWJPOSKW-QGZVFWFLSA-N 0 3 295.390 2.419 20 30 CEEDHN CC(C)[C@H](N)c1cn([C@H](C)c2ccc(C#N)cc2)nn1 ZINC000603226942 347315555 /nfs/dbraw/zinc/31/55/55/347315555.db2.gz IQJQEXVELHOWSE-ABAIWWIYSA-N 0 3 269.352 2.415 20 30 CEEDHN CC(C)(C)[C@H](N)c1cn(Cc2cccc(C#N)c2F)nn1 ZINC000603236038 347318886 /nfs/dbraw/zinc/31/88/86/347318886.db2.gz MAJGKYFQXVGPEV-CQSZACIVSA-N 0 3 287.342 2.383 20 30 CEEDHN CCN(C[C@H]1COCCO1)[C@@H](C)c1ccc(C#N)cc1 ZINC000336824152 365880715 /nfs/dbraw/zinc/88/07/15/365880715.db2.gz SXKLGNUMFJNNGW-BBRMVZONSA-N 0 3 274.364 2.357 20 30 CEEDHN CN(C)Cc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1 ZINC000351831773 219219727 /nfs/dbraw/zinc/21/97/27/219219727.db2.gz CORHCZPUGYQSMS-UHFFFAOYSA-N 0 3 268.320 2.200 20 30 CEEDHN CC[C@H]1CN(C)c2ccccc2CN1C(=O)C(C)C#N ZINC000610672778 347700287 /nfs/dbraw/zinc/70/02/87/347700287.db2.gz FEJRJCBANVBTQZ-OCCSQVGLSA-N 0 3 271.364 2.403 20 30 CEEDHN C[C@H](NCCOC[C@H]1CCOC1)c1ccc(C#N)cc1 ZINC000610342453 347673327 /nfs/dbraw/zinc/67/33/27/347673327.db2.gz UREGZJIDQCNEGY-ZFWWWQNUSA-N 0 3 274.364 2.262 20 30 CEEDHN CC(C)S(=O)(=O)CCCN[C@@H](C)c1cccc(C#N)c1 ZINC000611387831 347772152 /nfs/dbraw/zinc/77/21/52/347772152.db2.gz TYEASMAPMTYHSO-ZDUSSCGKSA-N 0 3 294.420 2.422 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCn1cccn1 ZINC000611393314 347772699 /nfs/dbraw/zinc/77/26/99/347772699.db2.gz DCVKKUPRWUBVGR-INIZCTEOSA-N 0 3 266.348 2.422 20 30 CEEDHN CN1CCC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C1=O ZINC000611393593 347773457 /nfs/dbraw/zinc/77/34/57/347773457.db2.gz IKALVOLSPFQHHT-HOTGVXAUSA-N 0 3 283.375 2.146 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000610905600 347721914 /nfs/dbraw/zinc/72/19/14/347721914.db2.gz NUKYXZQYNXMMFS-CYBMUJFWSA-N 0 3 272.352 2.082 20 30 CEEDHN C[C@H]1COCCCN1CCC(=O)Nc1sccc1C#N ZINC000610990848 347728139 /nfs/dbraw/zinc/72/81/39/347728139.db2.gz QESVRIJXEGFCLD-NSHDSACASA-N 0 3 293.392 2.059 20 30 CEEDHN C=CCNC(=O)C(C#N)c1ccc2ccccc2n1 ZINC000611158169 347745922 /nfs/dbraw/zinc/74/59/22/347745922.db2.gz MGTLMZCNSFMPIN-GFCCVEGCSA-N 0 3 251.289 2.144 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000611798270 347817684 /nfs/dbraw/zinc/81/76/84/347817684.db2.gz KQYWLYGDLGSBQC-CDNVCLAFSA-N 0 3 267.394 2.012 20 30 CEEDHN C[C@@H](NCCCCC#N)c1nnc2n1CCCCC2 ZINC000613062650 347968279 /nfs/dbraw/zinc/96/82/79/347968279.db2.gz JKNLYUWUTLVHHR-GFCCVEGCSA-N 0 3 261.373 2.349 20 30 CEEDHN C=CCC1(C(=O)N2CCC[C@](O)(CN(C)C)C2)CCCC1 ZINC000614071780 348141263 /nfs/dbraw/zinc/14/12/63/348141263.db2.gz ZXAPEQPBSWOEPD-KRWDZBQOSA-N 0 3 294.439 2.038 20 30 CEEDHN C[C@@H]1C[C@@H](O)CN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614178545 348154871 /nfs/dbraw/zinc/15/48/71/348154871.db2.gz LOZILCSCHLEWKN-IUODEOHRSA-N 0 3 258.365 2.443 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCSC[C@@H]1CCO ZINC000614402586 348193730 /nfs/dbraw/zinc/19/37/30/348193730.db2.gz LGOZMVYQWGHGAW-HNNXBMFYSA-N 0 3 276.405 2.167 20 30 CEEDHN Cn1cc(CN[C@H]2CCCO[C@@H]2c2ccncc2)cc1C#N ZINC000616480632 348508896 /nfs/dbraw/zinc/50/88/96/348508896.db2.gz SDXKLQSMXPFTRG-DLBZAZTESA-N 0 3 296.374 2.302 20 30 CEEDHN C=CCOc1ccc(C(=O)N(CC)[C@@H]2CCN(C)C2)cc1 ZINC000617558011 348733132 /nfs/dbraw/zinc/73/31/32/348733132.db2.gz YDMXMYJWZSMMIQ-OAHLLOKOSA-N 0 3 288.391 2.418 20 30 CEEDHN CC(C)(C#N)CCCCN1CCN(CCO)C(C)(C)C1 ZINC000618308062 348923652 /nfs/dbraw/zinc/92/36/52/348923652.db2.gz HDEVIUSYMWXIDK-UHFFFAOYSA-N 0 3 281.444 2.095 20 30 CEEDHN CC[C@H](N[C@@H](C)[C@H]1CN(C)CCO1)c1ccc(C#N)cc1 ZINC000618572084 348978860 /nfs/dbraw/zinc/97/88/60/348978860.db2.gz UBESPIVJZKQWBE-RRQGHBQHSA-N 0 3 287.407 2.318 20 30 CEEDHN Cc1cc(CN2CCN(C[C@@H](C)CCC#N)CC2)no1 ZINC000618887284 349059866 /nfs/dbraw/zinc/05/98/66/349059866.db2.gz RYZMCQCVDZACKC-ZDUSSCGKSA-N 0 3 276.384 2.041 20 30 CEEDHN C[C@H](CCC#N)CN1CCS[C@@H]2COCC[C@@H]21 ZINC000618888437 349060794 /nfs/dbraw/zinc/06/07/94/349060794.db2.gz SZEOSCFOOAWCLD-FRRDWIJNSA-N 0 3 254.399 2.133 20 30 CEEDHN C[C@H](CCC#N)CN1CCN(c2ccccc2O)CC1 ZINC000618888540 349060896 /nfs/dbraw/zinc/06/08/96/349060896.db2.gz WVGKBYSPINWCLL-CQSZACIVSA-N 0 3 273.380 2.454 20 30 CEEDHN C[C@@H]1CN(Cc2cccc(F)c2C#N)C[C@H](C)N1C ZINC000339617578 215271577 /nfs/dbraw/zinc/27/15/77/215271577.db2.gz XOQAXLSGJFSYGZ-TXEJJXNPSA-N 0 3 261.344 2.222 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCN(CCC)C1 ZINC000619901352 349250074 /nfs/dbraw/zinc/25/00/74/349250074.db2.gz QPLYJXKJQBTYRR-CQSZACIVSA-N 0 3 250.386 2.355 20 30 CEEDHN C=CCOCCN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000339190459 539733998 /nfs/dbraw/zinc/73/39/98/539733998.db2.gz VBPXTJUFWNFEQV-DLBZAZTESA-N 0 3 275.392 2.287 20 30 CEEDHN C=CCCn1cc(CNC[C@@H]2CC[C@@H]3C[C@@H]3C2)nn1 ZINC000623589374 350059413 /nfs/dbraw/zinc/05/94/13/350059413.db2.gz IQIBZNCYFIYERG-MCIONIFRSA-N 0 3 260.385 2.380 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000623633596 350071785 /nfs/dbraw/zinc/07/17/85/350071785.db2.gz WYXGPSCEMVWYMA-AWEZNQCLSA-N 0 3 279.428 2.372 20 30 CEEDHN C=C(C)CNC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000623908958 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/nfs/dbraw/zinc/98/83/76/351988376.db2.gz VQUFNQWBNBOMJL-AWEZNQCLSA-N 0 3 262.397 2.430 20 30 CEEDHN C=C(CC)CNCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631153765 351989141 /nfs/dbraw/zinc/98/91/41/351989141.db2.gz IQJNXNJGRSQEDF-UHFFFAOYSA-N 0 3 288.800 2.043 20 30 CEEDHN Cc1nc(NCCCN2CCCO[C@H](C)C2)ccc1C#N ZINC000292065219 198149636 /nfs/dbraw/zinc/14/96/36/198149636.db2.gz WVVQXXDCKZEFJW-CYBMUJFWSA-N 0 3 288.395 2.175 20 30 CEEDHN C#CCSCCNCc1c(Cl)nc2ccccn21 ZINC000152936072 188054127 /nfs/dbraw/zinc/05/41/27/188054127.db2.gz WFNQBXMRTBULJQ-UHFFFAOYSA-N 0 3 279.796 2.444 20 30 CEEDHN C#CCSCCNCc1ccccc1[N+](=O)[O-] ZINC000152945910 188054848 /nfs/dbraw/zinc/05/48/48/188054848.db2.gz NVFFKTUGNWEDNX-UHFFFAOYSA-N 0 3 250.323 2.051 20 30 CEEDHN CC#CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000154511901 188146937 /nfs/dbraw/zinc/14/69/37/188146937.db2.gz GETFMNWIMGUKSP-UHFFFAOYSA-N 0 3 256.349 2.036 20 30 CEEDHN C=C(C)CNC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000156207376 188249890 /nfs/dbraw/zinc/24/98/90/188249890.db2.gz 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RPBUEROYNYJCNB-OAHLLOKOSA-N 0 3 265.401 2.161 20 30 CEEDHN CCN1CCC[C@@H]1CNc1c(C#N)nnc2ccccc21 ZINC000076323988 363536623 /nfs/dbraw/zinc/53/66/23/363536623.db2.gz OMDHCMKBOGMZJL-GFCCVEGCSA-N 0 3 281.363 2.398 20 30 CEEDHN C[C@@H]1CN(CCOc2cccc(C#N)c2)CCS1 ZINC000134342499 366311104 /nfs/dbraw/zinc/31/11/04/366311104.db2.gz HNODJBFYYAFJCW-GFCCVEGCSA-N 0 3 262.378 2.374 20 30 CEEDHN CC1CCC(N(C)CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000078955343 363559792 /nfs/dbraw/zinc/55/97/92/363559792.db2.gz GRZPJPKURASNKZ-PXCJXSSVSA-N 0 3 277.412 2.305 20 30 CEEDHN C[C@H]1CCCN(Cc2ccc(C#N)s2)[C@H]1CO ZINC000575812081 366363133 /nfs/dbraw/zinc/36/31/33/366363133.db2.gz HZNCMZUEMHUGNI-GWCFXTLKSA-N 0 3 250.367 2.213 20 30 CEEDHN N#Cc1cccnc1N1CCC[C@@H]1CN1CCCC1 ZINC000189081719 283218249 /nfs/dbraw/zinc/21/82/49/283218249.db2.gz BQHVZNAOSPQISA-CQSZACIVSA-N 0 3 256.353 2.018 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000668369876 538894059 /nfs/dbraw/zinc/89/40/59/538894059.db2.gz HLYWHJXGCZCSLP-ZBFHGGJFSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(C)cc1 ZINC000079323868 363589471 /nfs/dbraw/zinc/58/94/71/363589471.db2.gz BZTLKXSKKXOMCS-STQMWFEESA-N 0 3 289.379 2.046 20 30 CEEDHN COCCOCCN(Cc1ccc(C#N)cc1)C(C)C ZINC000079419057 363598868 /nfs/dbraw/zinc/59/88/68/363598868.db2.gz DZNYABTXCYFSMM-UHFFFAOYSA-N 0 3 276.380 2.432 20 30 CEEDHN Cc1cccc(CN(CCN(C)C)c2cc(C#N)ncn2)c1 ZINC000577930492 366416459 /nfs/dbraw/zinc/41/64/59/366416459.db2.gz QTMRYBPNKLAHRZ-UHFFFAOYSA-N 0 3 295.390 2.225 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000578111541 366444632 /nfs/dbraw/zinc/44/46/32/366444632.db2.gz GJWOFLHXIRJGKB-RDBSUJKOSA-N 0 3 269.348 2.074 20 30 CEEDHN Cc1cc(CN[C@H]2CC(=O)N3CCCC[C@H]23)ccc1C#N ZINC000578526175 366509452 /nfs/dbraw/zinc/50/94/52/366509452.db2.gz XPPYZKKMNGHPQC-JKSUJKDBSA-N 0 3 283.375 2.110 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC2(F)F)CC1 ZINC000672839754 540641797 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/nfs/dbraw/zinc/32/84/04/200328404.db2.gz JAXVLPUDGFYVSF-ZNFPLGDCSA-N 0 3 283.375 2.172 20 30 CEEDHN C=CCNC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000673767832 540694728 /nfs/dbraw/zinc/69/47/28/540694728.db2.gz QUTSICKQGMRKBY-HNNXBMFYSA-N 0 3 287.407 2.478 20 30 CEEDHN CC#CCCN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275028348 192883877 /nfs/dbraw/zinc/88/38/77/192883877.db2.gz AYJVGWDCLWSKDY-UHFFFAOYSA-N 0 3 279.771 2.387 20 30 CEEDHN COc1cccc([C@@H](O)CNCc2ccc(C#N)s2)c1 ZINC000176967798 189017473 /nfs/dbraw/zinc/01/74/73/189017473.db2.gz YUANJIGMOGOEJR-HNNXBMFYSA-N 0 3 288.372 2.452 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNCc1cn[nH]c1)C(C)C ZINC000674711240 540770588 /nfs/dbraw/zinc/77/05/88/540770588.db2.gz XNLLQFCTLKOLIA-HNNXBMFYSA-N 0 3 262.401 2.198 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)NCC#Cc1ccccc1 ZINC000675177562 540812994 /nfs/dbraw/zinc/81/29/94/540812994.db2.gz JOYCZFWUGOPUFU-KRWDZBQOSA-N 0 3 299.418 2.212 20 30 CEEDHN C=CCNC(=O)CN[C@H]1C[C@H](C)c2c1cccc2C ZINC000180035611 189234040 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C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)/C=C/c1cccc(C#N)c1 ZINC000120875320 365488095 /nfs/dbraw/zinc/48/80/95/365488095.db2.gz DGPYUSSGVWVNDL-KDCQFRKDSA-N 0 3 297.402 2.370 20 30 CEEDHN C[C@H]1CN(CCC(=O)N(C)CCC#N)[C@H]1c1ccccc1 ZINC000245532804 370833853 /nfs/dbraw/zinc/83/38/53/370833853.db2.gz IGMUVZVKNPPRTJ-WMLDXEAASA-N 0 3 285.391 2.442 20 30 CEEDHN C[C@@H]1CN(CCC(=O)N(C)CCC#N)[C@H]1c1ccccc1 ZINC000245532803 370833295 /nfs/dbraw/zinc/83/32/95/370833295.db2.gz IGMUVZVKNPPRTJ-RHSMWYFYSA-N 0 3 285.391 2.442 20 30 CEEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2Cl)C[C@@H]1O ZINC000162843613 367195094 /nfs/dbraw/zinc/19/50/94/367195094.db2.gz RNDLXCRNRABFET-OLZOCXBDSA-N 0 3 264.756 2.461 20 30 CEEDHN C[C@@H]1CCC[C@@H]1NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000163088340 367217573 /nfs/dbraw/zinc/21/75/73/367217573.db2.gz LKMCXJHRAWTFRO-DOMZBBRYSA-N 0 3 292.404 2.110 20 30 CEEDHN C=C(C)COCCNC[C@@H](O)COc1cc(C)cc(C)c1 ZINC000163790720 367265314 /nfs/dbraw/zinc/26/53/14/367265314.db2.gz CGGBGQSSDNFVCF-MRXNPFEDSA-N 0 3 293.407 2.225 20 30 CEEDHN CN(C)c1ncc(CNCCc2cccc(C#N)c2)s1 ZINC000341468921 367346565 /nfs/dbraw/zinc/34/65/65/367346565.db2.gz AGQVPLLPRJUBOV-UHFFFAOYSA-N 0 3 286.404 2.413 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCCC[C@H](COC)C1 ZINC000342591707 367438250 /nfs/dbraw/zinc/43/82/50/367438250.db2.gz SWHHUAYXMDNNAL-HOTGVXAUSA-N 0 3 294.439 2.324 20 30 CEEDHN CC#CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000342795288 367539598 /nfs/dbraw/zinc/53/95/98/367539598.db2.gz FJBFYZXGVMYFLS-ZBFHGGJFSA-N 0 3 285.391 2.144 20 30 CEEDHN C=CCCN(C)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000342735198 367506483 /nfs/dbraw/zinc/50/64/83/367506483.db2.gz OQYQREAJULQDPX-MGPQQGTHSA-N 0 3 252.402 2.387 20 30 CEEDHN COC(=O)[C@H](C)CN(Cc1cccc(C#N)c1)C1CC1 ZINC000171301107 367519061 /nfs/dbraw/zinc/51/90/61/367519061.db2.gz PJVDNARHCCQHOX-GFCCVEGCSA-N 0 3 272.348 2.332 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(Cl)c[nH]2)CC1 ZINC000171722557 367602056 /nfs/dbraw/zinc/60/20/56/367602056.db2.gz YEJJLYNELWAEHV-UHFFFAOYSA-N 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271.364 2.162 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)CCc2ccc(C#N)cc2)CCCN1C ZINC000343574299 367892194 /nfs/dbraw/zinc/89/21/94/367892194.db2.gz WEPKXTIAISQPSL-BBRMVZONSA-N 0 3 285.391 2.090 20 30 CEEDHN CO[C@@H](CNCc1cnc2ccc(C#N)cn12)C(C)(C)C ZINC000174132023 367987863 /nfs/dbraw/zinc/98/78/63/367987863.db2.gz OEXGTLTYPRMRPW-AWEZNQCLSA-N 0 3 286.379 2.357 20 30 CEEDHN C=CCC(CC=C)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000343674842 367948490 /nfs/dbraw/zinc/94/84/90/367948490.db2.gz NWQDYXOSQUCQET-HNNXBMFYSA-N 0 3 262.397 2.450 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000633080029 368047289 /nfs/dbraw/zinc/04/72/89/368047289.db2.gz AMUFSBQLZZUECB-CYBMUJFWSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N1CCCN(C)CC1 ZINC000343811420 368017332 /nfs/dbraw/zinc/01/73/32/368017332.db2.gz IJMVEYUNKUGIIO-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN C[C@@H](O)CC(C)(C)CNCc1cnc2ccc(C#N)cn12 ZINC000174464225 368026597 /nfs/dbraw/zinc/02/65/97/368026597.db2.gz SKCRKMAQWUKIRV-GFCCVEGCSA-N 0 3 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2.300 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC[C@]2(CC=CCC2)C1 ZINC000246327318 370946171 /nfs/dbraw/zinc/94/61/71/370946171.db2.gz GGMZIOPWFMWEBV-GOEBONIOSA-N 0 3 262.397 2.499 20 30 CEEDHN CC(C)N(CCN(C)C)c1snc(Cl)c1C#N ZINC000185440818 368806999 /nfs/dbraw/zinc/80/69/99/368806999.db2.gz DGVUAMUZRHABCP-UHFFFAOYSA-N 0 3 272.805 2.445 20 30 CEEDHN C=CCOCCCN(C)Cc1ccc(OC)c(O)c1 ZINC000348027047 368863395 /nfs/dbraw/zinc/86/33/95/368863395.db2.gz FIVKOHKQIWODGJ-UHFFFAOYSA-N 0 3 265.353 2.425 20 30 CEEDHN C=CCOCCCN[C@@H](CO)c1ccc(CC)cc1 ZINC000348029610 368864432 /nfs/dbraw/zinc/86/44/32/368864432.db2.gz GGIDDLMSEVQEDS-INIZCTEOSA-N 0 3 263.381 2.465 20 30 CEEDHN CN(CCN(C)C1CC1)Cc1ccc(F)c(C#N)c1 ZINC000186765101 369037163 /nfs/dbraw/zinc/03/71/63/369037163.db2.gz ZDKMJNLKGFQXPI-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000276043227 193196930 /nfs/dbraw/zinc/19/69/30/193196930.db2.gz WOQMUJPLSZRUEJ-WFASDCNBSA-N 0 3 250.386 2.355 20 30 CEEDHN CNC(=O)CC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187698647 369205912 /nfs/dbraw/zinc/20/59/12/369205912.db2.gz NBUNZVRCLIPIGR-ZDUSSCGKSA-N 0 3 285.391 2.467 20 30 CEEDHN CCO[C@@H]1C[C@H](NCC#CCOC)C1(CC)CC ZINC000683221189 541775985 /nfs/dbraw/zinc/77/59/85/541775985.db2.gz NLZGIBRKHIVAFG-UONOGXRCSA-N 0 3 253.386 2.210 20 30 CEEDHN CCC#C[C@H](C)N(C)CCCNC(=O)C1CCC1 ZINC000683228653 541777621 /nfs/dbraw/zinc/77/76/21/541777621.db2.gz VJJDTQHMELDLTR-ZDUSSCGKSA-N 0 3 250.386 2.027 20 30 CEEDHN COc1cc(OC)c(OC)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000349792411 369401852 /nfs/dbraw/zinc/40/18/52/369401852.db2.gz SKDUMVLFMYQOAH-WCQYABFASA-N 0 3 290.363 2.494 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2ccc3c(c2)OCCO3)C1 ZINC000349814970 369407972 /nfs/dbraw/zinc/40/79/72/369407972.db2.gz YANQYXNJCVLXBQ-DGCLKSJQSA-N 0 3 258.321 2.240 20 30 CEEDHN CO[C@H]1CN(CCOc2ccccc2C#N)CC[C@H]1C ZINC000189351482 369502661 /nfs/dbraw/zinc/50/26/61/369502661.db2.gz QPTNPDDJGMWTIC-CJNGLKHVSA-N 0 3 274.364 2.294 20 30 CEEDHN COC(=O)[C@@H](C)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000189368318 369505786 /nfs/dbraw/zinc/50/57/86/369505786.db2.gz ZVEBKQZFXXCHFB-RYUDHWBXSA-N 0 3 260.337 2.360 20 30 CEEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)C(=O)N(C)CC)cc1 ZINC000189402514 369510983 /nfs/dbraw/zinc/51/09/83/369510983.db2.gz QVERLXSQJOWYIQ-ZIAGYGMSSA-N 0 3 288.391 2.216 20 30 CEEDHN Cn1cc(CNCCOc2ccccc2)cc1C#N ZINC000189590893 369543870 /nfs/dbraw/zinc/54/38/70/369543870.db2.gz BWJHEZXGQDHGLL-UHFFFAOYSA-N 0 3 255.321 2.065 20 30 CEEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccc2c(c1)NC(=O)CO2 ZINC000351472537 369636118 /nfs/dbraw/zinc/63/61/18/369636118.db2.gz PICZIQUPFXUVMC-WDEREUQCSA-N 0 3 273.336 2.360 20 30 CEEDHN CCC(CC)[C@@H]1C[C@@H](NC(=O)C(C)C#N)CCO1 ZINC000351603160 369644232 /nfs/dbraw/zinc/64/42/32/369644232.db2.gz VLRGDDGGYJCHLS-WXHSDQCUSA-N 0 3 252.358 2.246 20 30 CEEDHN COC(=O)C(C)(C)CN[C@H](C)c1cccc(C#N)c1 ZINC000190717012 369647899 /nfs/dbraw/zinc/64/78/99/369647899.db2.gz ZSZYLCVIISZLPL-LLVKDONJSA-N 0 3 260.337 2.408 20 30 CEEDHN COCc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000190730225 369648380 /nfs/dbraw/zinc/64/83/80/369648380.db2.gz RNCAFQHCOIBBDK-UHFFFAOYSA-N 0 3 269.348 2.333 20 30 CEEDHN C[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1CO ZINC000190883074 369658963 /nfs/dbraw/zinc/65/89/63/369658963.db2.gz HAFTUQUSMWOIGN-OCCSQVGLSA-N 0 3 263.768 2.252 20 30 CEEDHN C=C(C)CN1CCC(NCc2cn(C(C)(C)C)nn2)CC1 ZINC000190977867 369665711 /nfs/dbraw/zinc/66/57/11/369665711.db2.gz QJHACUYIAAMVQR-UHFFFAOYSA-N 0 3 291.443 2.163 20 30 CEEDHN CC#CCN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192111596 369773283 /nfs/dbraw/zinc/77/32/83/369773283.db2.gz WZTQHSGDSUIBDL-ZIAGYGMSSA-N 0 3 251.276 2.408 20 30 CEEDHN Cn1cc(CNCC[C@](C)(O)c2ccccc2)cc1C#N ZINC000191618684 369726034 /nfs/dbraw/zinc/72/60/34/369726034.db2.gz QXHULRYYYVDLKD-KRWDZBQOSA-N 0 3 283.375 2.284 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@]23C[C@H]2CCCC3)CC1 ZINC000636741258 369726125 /nfs/dbraw/zinc/72/61/25/369726125.db2.gz TYPPNFAPQXKOPC-CZUORRHYSA-N 0 3 277.412 2.269 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)N[C@@H](C)CN(C)C ZINC000637147198 369828200 /nfs/dbraw/zinc/82/82/00/369828200.db2.gz GICQIJWBTACZIK-LBPRGKRZSA-N 0 3 255.406 2.228 20 30 CEEDHN N#CCN(C(=O)C1CCN(C2CC2)CC1)C1CCCC1 ZINC000192580405 369831285 /nfs/dbraw/zinc/83/12/85/369831285.db2.gz ZQCAGFZLVNXKEZ-UHFFFAOYSA-N 0 3 275.396 2.156 20 30 CEEDHN CCCCCCCCN1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192643194 369838315 /nfs/dbraw/zinc/83/83/15/369838315.db2.gz CHMAPHAZMUPIRA-OAHLLOKOSA-N 0 3 281.400 2.021 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNCc1cocn1)C(C)C ZINC000192285117 369790795 /nfs/dbraw/zinc/79/07/95/369790795.db2.gz XZPMXVKIPNBKJE-HNNXBMFYSA-N 0 3 263.385 2.463 20 30 CEEDHN CC[C@@H](NCc1nc(C#N)cs1)C1CCOCC1 ZINC000352802511 369884110 /nfs/dbraw/zinc/88/41/10/369884110.db2.gz UCSQZYDCUWNFCN-GFCCVEGCSA-N 0 3 265.382 2.310 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNCc1nc(C#N)cs1 ZINC000352862579 369920313 /nfs/dbraw/zinc/92/03/13/369920313.db2.gz OWGLNTKUVGSSGH-GFCCVEGCSA-N 0 3 278.425 2.225 20 30 CEEDHN Cc1cc(Cl)cc(C)c1CNCCn1cnc(C#N)n1 ZINC000353038771 369996448 /nfs/dbraw/zinc/99/64/48/369996448.db2.gz NHVCTAYNUXYXCK-UHFFFAOYSA-N 0 3 289.770 2.210 20 30 CEEDHN CC(C)(C)[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(C#N)s1 ZINC000353123751 370026535 /nfs/dbraw/zinc/02/65/35/370026535.db2.gz XLRIXRPPWMHFRE-GXTWGEPZSA-N 0 3 291.420 2.403 20 30 CEEDHN C=CC[C@H](C)NC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637670651 370030269 /nfs/dbraw/zinc/03/02/69/370030269.db2.gz ZPWGNQIDINUMEN-LBPRGKRZSA-N 0 3 291.399 2.236 20 30 CEEDHN CCOC(=O)[C@@]1(C(C)C)CCN(CCCC#N)C1 ZINC000194859383 370081611 /nfs/dbraw/zinc/08/16/11/370081611.db2.gz CDUQSLAHPIONMN-AWEZNQCLSA-N 0 3 252.358 2.201 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](NCCn1cnnc1C1CC1)CC2 ZINC000353249592 370095997 /nfs/dbraw/zinc/09/59/97/370095997.db2.gz DNEAPXBMEOKAPG-INIZCTEOSA-N 0 3 293.374 2.304 20 30 CEEDHN C=CCCCCCN(C)C(=O)[C@@]1(COC)CCCCN1 ZINC000638009161 370236764 /nfs/dbraw/zinc/23/67/64/370236764.db2.gz ZHZOFOZVLIUNHG-INIZCTEOSA-N 0 3 282.428 2.350 20 30 CEEDHN COCCN(CCOc1ccc(C#N)cc1OC)C1CC1 ZINC000354237852 370275448 /nfs/dbraw/zinc/27/54/48/370275448.db2.gz LDRUDXZQVPMZHG-UHFFFAOYSA-N 0 3 290.363 2.056 20 30 CEEDHN CN(CCCCCO)Cc1ccc(C#N)cc1F ZINC000227063208 370356966 /nfs/dbraw/zinc/35/69/66/370356966.db2.gz PLEKDWZFXQQTJL-UHFFFAOYSA-N 0 3 250.317 2.292 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CCCCC[C@@H]1CC(C)C ZINC000354465412 370375076 /nfs/dbraw/zinc/37/50/76/370375076.db2.gz VSGZRFBIEZZTOU-CQSZACIVSA-N 0 3 295.427 2.289 20 30 CEEDHN COc1cccc(Cl)c1CNC(=O)C(C)C#N ZINC000234890408 370547267 /nfs/dbraw/zinc/54/72/67/370547267.db2.gz YKDRMMKRRFXYGN-MRVPVSSYSA-N 0 3 252.701 2.124 20 30 CEEDHN COc1cc(CN2C[C@@H](C)N(C)[C@@H](C)C2)ccc1C#N ZINC000235009893 370554153 /nfs/dbraw/zinc/55/41/53/370554153.db2.gz AQRKBHAVLAECTB-BETUJISGSA-N 0 3 273.380 2.091 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000638471349 370555679 /nfs/dbraw/zinc/55/56/79/370555679.db2.gz CUXFEQPOXZLFQQ-LLVKDONJSA-N 0 3 276.405 2.432 20 30 CEEDHN N#C[C@H]1CCC[C@H](NCC(=O)N2Cc3ccccc3C2)C1 ZINC000355564777 370601141 /nfs/dbraw/zinc/60/11/41/370601141.db2.gz LIPCQDMYTMXOBT-BBRMVZONSA-N 0 3 283.375 2.201 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246698456 370995524 /nfs/dbraw/zinc/99/55/24/370995524.db2.gz NDXBLWXXWCHJNZ-XHSDSOJGSA-N 0 3 294.439 2.300 20 30 CEEDHN CCCO[C@H]1CCCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000247017273 371047265 /nfs/dbraw/zinc/04/72/65/371047265.db2.gz CYKNXOYYWLIASW-CABCVRRESA-N 0 3 295.427 2.028 20 30 CEEDHN C[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)C[C@@H](C)C1 ZINC000246919278 371030811 /nfs/dbraw/zinc/03/08/11/371030811.db2.gz YKDBUFNXZZDPPT-CABCVRRESA-N 0 3 290.411 2.010 20 30 CEEDHN C[C@H](NC[C@@]1(CCO)CCOC1)c1ccc(C#N)cc1F ZINC000358559940 371117503 /nfs/dbraw/zinc/11/75/03/371117503.db2.gz DYWHVGLHINWONL-BLLLJJGKSA-N 0 3 292.354 2.137 20 30 CEEDHN C[C@H](NCCN1CCSCC1)c1ccc(C#N)cc1F ZINC000358567129 371121485 /nfs/dbraw/zinc/12/14/85/371121485.db2.gz JMOGSIZSXVXNHY-LBPRGKRZSA-N 0 3 293.411 2.397 20 30 CEEDHN C[C@H](O)CN1CCN(c2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000248662382 371233311 /nfs/dbraw/zinc/23/33/11/371233311.db2.gz GSFMPXHJYKSMEO-NEPJUHHUSA-N 0 3 293.798 2.103 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000248727924 371239585 /nfs/dbraw/zinc/23/95/85/371239585.db2.gz INJXCDXMVRXDCX-HZSPNIEDSA-N 0 3 250.386 2.448 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)CCC)CC1 ZINC000358838053 371241967 /nfs/dbraw/zinc/24/19/67/371241967.db2.gz ZJVLJLKEGVSVQO-ZDUSSCGKSA-N 0 3 267.417 2.467 20 30 CEEDHN CN(C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCSC1 ZINC000248904923 371268746 /nfs/dbraw/zinc/26/87/46/371268746.db2.gz XMBZUTWSADQRHA-UONOGXRCSA-N 0 3 262.378 2.029 20 30 CEEDHN CN(C)CCN(C(=O)CCCC#N)C1CCCC1 ZINC000360363187 371513670 /nfs/dbraw/zinc/51/36/70/371513670.db2.gz JXSZTZPVTJPNDA-UHFFFAOYSA-N 0 3 251.374 2.013 20 30 CEEDHN C=C(C)CN1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000639897385 371654412 /nfs/dbraw/zinc/65/44/12/371654412.db2.gz CLVMKONQPMQJAQ-CQSZACIVSA-N 0 3 252.402 2.138 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000361228478 371726319 /nfs/dbraw/zinc/72/63/19/371726319.db2.gz MNRYLSASLWLXMO-GMSGAONNSA-N 0 3 266.247 2.064 20 30 CEEDHN C=CCN(C(=O)N(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000361351081 371800469 /nfs/dbraw/zinc/80/04/69/371800469.db2.gz CUKAWXHJSAAQNS-INIZCTEOSA-N 0 3 287.407 2.431 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000640091736 371803332 /nfs/dbraw/zinc/80/33/32/371803332.db2.gz OQSSFGFOGBKNPU-OAGGEKHMSA-N 0 3 294.439 2.036 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(c2cccc(F)c2)CC1 ZINC000640137224 371836567 /nfs/dbraw/zinc/83/65/67/371836567.db2.gz FAISRMQGYMCPHF-MRXNPFEDSA-N 0 3 278.371 2.275 20 30 CEEDHN N#Cc1ccc(CN[C@H](CO)C2CCOCC2)c(Cl)c1 ZINC000361593408 371961786 /nfs/dbraw/zinc/96/17/86/371961786.db2.gz HMSBXZXHJMNIAA-OAHLLOKOSA-N 0 3 294.782 2.089 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN(CC2CC2)C2CCC2)c1 ZINC000361585458 371947848 /nfs/dbraw/zinc/94/78/48/371947848.db2.gz ISFCSGVAIRPFMM-UHFFFAOYSA-N 0 3 297.402 2.439 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(C)c2ccccc2C1 ZINC000268547798 372132240 /nfs/dbraw/zinc/13/22/40/372132240.db2.gz MJOYMPTXQNAXOJ-HNNXBMFYSA-N 0 3 260.381 2.266 20 30 CEEDHN CC(C)CO[C@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268719076 372191907 /nfs/dbraw/zinc/19/19/07/372191907.db2.gz VIYBRQHLTWVYNN-IRXDYDNUSA-N 0 3 288.391 2.339 20 30 CEEDHN COCCOC[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000344304970 217142187 /nfs/dbraw/zinc/14/21/87/217142187.db2.gz ORCBTWMSWTWZEC-STQMWFEESA-N 0 3 262.353 2.260 20 30 CEEDHN C=C(C)CCn1cc(COc2ccccc2CN)nn1 ZINC000641069291 372273583 /nfs/dbraw/zinc/27/35/83/372273583.db2.gz FHOWNVYODCLQGU-UHFFFAOYSA-N 0 3 272.352 2.282 20 30 CEEDHN CC(C)COC[C@H](O)CN[C@H]1CCc2ccc(C#N)cc21 ZINC000353385345 220056157 /nfs/dbraw/zinc/05/61/57/220056157.db2.gz LWMPFBRJZZYFKR-WBVHZDCISA-N 0 3 288.391 2.169 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc(OC(F)F)c(F)c1 ZINC000641767225 372705614 /nfs/dbraw/zinc/70/56/14/372705614.db2.gz HQQFEEICJONOAP-LLVKDONJSA-N 0 3 287.281 2.291 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cccc(OCCC)c1 ZINC000641768941 372709772 /nfs/dbraw/zinc/70/97/72/372709772.db2.gz MEZQUDFCJKVIPT-HNNXBMFYSA-N 0 3 261.365 2.339 20 30 CEEDHN N#Cc1ccnc(N2CCN(C[C@H]3CC=CCC3)CC2)c1 ZINC000271053175 373092241 /nfs/dbraw/zinc/09/22/41/373092241.db2.gz XKQSPKMNAUTBBH-HNNXBMFYSA-N 0 3 282.391 2.432 20 30 CEEDHN C[C@@H](NCCN1CCSCC1)c1ccc(C#N)c(F)c1 ZINC000271923026 373216271 /nfs/dbraw/zinc/21/62/71/373216271.db2.gz FIRLKNASXRWBIF-GFCCVEGCSA-N 0 3 293.411 2.397 20 30 CEEDHN CCC[C@@H](O)CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272106221 373309345 /nfs/dbraw/zinc/30/93/45/373309345.db2.gz ICKKNUMWQROHCC-MRXNPFEDSA-N 0 3 298.390 2.209 20 30 CEEDHN CC[C@@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272142290 373326482 /nfs/dbraw/zinc/32/64/82/373326482.db2.gz ACTQNYBBFLQFMQ-IUODEOHRSA-N 0 3 271.364 2.442 20 30 CEEDHN C=CCN(CC=C)[C@H](CN1C(=O)N[C@@H](CC)C1=O)C(C)C ZINC000272274287 373402230 /nfs/dbraw/zinc/40/22/30/373402230.db2.gz NOUDUTRHCRNDCT-UONOGXRCSA-N 0 3 293.411 2.015 20 30 CEEDHN C=CCN(CCc1cnn(C)c1)CCc1ccco1 ZINC000272294698 373413521 /nfs/dbraw/zinc/41/35/21/373413521.db2.gz OSWMJNCABSGCDW-UHFFFAOYSA-N 0 3 259.353 2.286 20 30 CEEDHN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H]1CCOC1 ZINC000272319652 373429060 /nfs/dbraw/zinc/42/90/60/373429060.db2.gz UDZCATNTOSVCRG-INIZCTEOSA-N 0 3 296.374 2.179 20 30 CEEDHN C=CCOCCNC[C@H](O)COc1cc(C)ccc1Cl ZINC000644618075 373564239 /nfs/dbraw/zinc/56/42/39/373564239.db2.gz XLIODYGOTUMUIB-ZDUSSCGKSA-N 0 3 299.798 2.180 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1(OC)CCC1)C(C)C ZINC000272976481 373739599 /nfs/dbraw/zinc/73/95/99/373739599.db2.gz REXCPLSOFORNEZ-HNNXBMFYSA-N 0 3 294.439 2.370 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000274279441 373864970 /nfs/dbraw/zinc/86/49/70/373864970.db2.gz DIZSHCDUIHJQFU-OLZOCXBDSA-N 0 3 250.386 2.355 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)c1cc(C#N)ccc1[N+](=O)[O-] ZINC000274285062 373866349 /nfs/dbraw/zinc/86/63/49/373866349.db2.gz WLSATUDKDPGFHP-CYBMUJFWSA-N 0 3 288.351 2.244 20 30 CEEDHN CN(c1cnc(C#N)cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274693841 374014461 /nfs/dbraw/zinc/01/44/61/374014461.db2.gz MYWYWNINVXSADR-INIZCTEOSA-N 0 3 293.374 2.059 20 30 CEEDHN C=C(C)CCN1CCN(c2cc(C#N)ccn2)CC1 ZINC000274773872 374044898 /nfs/dbraw/zinc/04/48/98/374044898.db2.gz NGJLRPXKIPERJA-UHFFFAOYSA-N 0 3 256.353 2.041 20 30 CEEDHN C=C(CC)CNC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000645532756 374096669 /nfs/dbraw/zinc/09/66/69/374096669.db2.gz HCEBTWZFCQFVOB-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN N#Cc1ccc(CNC[C@H]2CC(=O)Nc3ccccc32)o1 ZINC000372706694 374181234 /nfs/dbraw/zinc/18/12/34/374181234.db2.gz ZQOYSGNEPMJFTL-LLVKDONJSA-N 0 3 281.315 2.367 20 30 CEEDHN C[C@@H](N[C@H]1CCN(c2ccn(C)n2)C1)c1ccc(C#N)cc1 ZINC000372640921 374171101 /nfs/dbraw/zinc/17/11/01/374171101.db2.gz PZOXRHKCXYCJHH-CJNGLKHVSA-N 0 3 295.390 2.221 20 30 CEEDHN C#CCCN[C@H](Cc1nc(C)no1)c1ccccc1 ZINC000277136035 374413000 /nfs/dbraw/zinc/41/30/00/374413000.db2.gz ITEZPTLWPFOKBB-CQSZACIVSA-N 0 3 255.321 2.275 20 30 CEEDHN C#CCC(CC#C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000277286881 374464583 /nfs/dbraw/zinc/46/45/83/374464583.db2.gz BNZQTFLMMJSOAS-KRWDZBQOSA-N 0 3 282.387 2.068 20 30 CEEDHN O=C(C#Cc1ccccc1)NC[C@H]1CCCCN1C1CC1 ZINC000277475923 374534318 /nfs/dbraw/zinc/53/43/18/374534318.db2.gz IHKNAJUKJFQBNC-QGZVFWFLSA-N 0 3 282.387 2.171 20 30 CEEDHN C#CCC(CC#C)C(=O)NCc1ccccc1CN(C)C ZINC000277594498 374574460 /nfs/dbraw/zinc/57/44/60/374574460.db2.gz GJTDXSIDSZKQKY-UHFFFAOYSA-N 0 3 282.387 2.027 20 30 CEEDHN COc1ccc(CNC2CC(F)(F)C2)cc1C#N ZINC000277627991 374584082 /nfs/dbraw/zinc/58/40/82/374584082.db2.gz KQMBDAUCKBNRRL-UHFFFAOYSA-N 0 3 252.264 2.454 20 30 CEEDHN C=CCC[C@@H](O)CN1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000375171297 374645018 /nfs/dbraw/zinc/64/50/18/374645018.db2.gz NYMDCAXYTKMJRX-HUUCEWRRSA-N 0 3 294.395 2.209 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000376061659 374694807 /nfs/dbraw/zinc/69/48/07/374694807.db2.gz KGTJGTGKJAFDOT-LHHMISFZSA-N 0 3 297.402 2.173 20 30 CEEDHN Cc1ccnc(NCCCN2CCCO[C@@H](C)C2)c1C#N ZINC000278187561 374745252 /nfs/dbraw/zinc/74/52/52/374745252.db2.gz PZFOXAAVZSJAHS-AWEZNQCLSA-N 0 3 288.395 2.175 20 30 CEEDHN C[C@@]1(NCC(=O)Nc2cccc(C#N)c2)CCO[C@H]1C1CC1 ZINC000376863446 374746914 /nfs/dbraw/zinc/74/69/14/374746914.db2.gz CUWLZKHJPBBSPU-DLBZAZTESA-N 0 3 299.374 2.044 20 30 CEEDHN CC[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(C#N)cc1 ZINC000278358665 374791448 /nfs/dbraw/zinc/79/14/48/374791448.db2.gz BFLYCFGHVGCBAL-HOCLYGCPSA-N 0 3 283.375 2.362 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCSC(C)(C)CC1 ZINC000279818579 374999419 /nfs/dbraw/zinc/99/94/19/374999419.db2.gz YLEOWYPFSFIULC-UHFFFAOYSA-N 0 3 282.453 2.405 20 30 CEEDHN CC(=O)N1CCC[C@@H](CNCc2ccc(C#N)cc2F)C1 ZINC000279907174 375026601 /nfs/dbraw/zinc/02/66/01/375026601.db2.gz WMEGGXQSVKCIBK-AWEZNQCLSA-N 0 3 289.354 2.045 20 30 CEEDHN 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CEEDHN CCN1CC[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000412876385 375743878 /nfs/dbraw/zinc/74/38/78/375743878.db2.gz KFAAYWOLNYLJFH-INIZCTEOSA-N 0 3 299.418 2.337 20 30 CEEDHN COc1cc(CN2CCC[C@@H](CO)[C@H]2C)ccc1C#N ZINC000414587487 375870944 /nfs/dbraw/zinc/87/09/44/375870944.db2.gz VFIHEZXXYJUHQT-DOMZBBRYSA-N 0 3 274.364 2.160 20 30 CEEDHN CNC(=O)CC[C@@H]1CCCCN1Cc1ccccc1C#N ZINC000286317525 375911431 /nfs/dbraw/zinc/91/14/31/375911431.db2.gz FEYDJTGOAUTQME-INIZCTEOSA-N 0 3 285.391 2.439 20 30 CEEDHN CC(C)N(Cc1cc(C#N)cs1)C[C@@H]1CCC(=O)N1 ZINC000414583636 375868872 /nfs/dbraw/zinc/86/88/72/375868872.db2.gz SCJFJGAWJKHSKA-LBPRGKRZSA-N 0 3 277.393 2.109 20 30 CEEDHN CCN(CC)CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416338980 376047958 /nfs/dbraw/zinc/04/79/58/376047958.db2.gz FRZIYVWXZXSLIM-MRXNPFEDSA-N 0 3 285.391 2.394 20 30 CEEDHN C=C(C)CN(CC)C(=O)NC[C@H](N)c1ccccc1 ZINC000418423131 376315091 /nfs/dbraw/zinc/31/50/91/376315091.db2.gz FGLRRCUEPWOVSP-AWEZNQCLSA-N 0 3 261.369 2.294 20 30 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/nfs/dbraw/zinc/04/14/23/377041423.db2.gz JFAVGKNHTHTBDM-INIZCTEOSA-N 0 3 274.364 2.472 20 30 CEEDHN C#Cc1ccccc1CC(=O)NC[C@@H]1CCCCN1CC ZINC000290936635 376992869 /nfs/dbraw/zinc/99/28/69/376992869.db2.gz ZFYCENXLVHNVKN-KRWDZBQOSA-N 0 3 284.403 2.201 20 30 CEEDHN C#Cc1ccccc1CC(=O)N(CCN(C)C)C(C)C ZINC000291080162 377061129 /nfs/dbraw/zinc/06/11/29/377061129.db2.gz PHYFQIHJXZRYOV-UHFFFAOYSA-N 0 3 272.392 2.009 20 30 CEEDHN N#Cc1cc(F)ccc1CN[C@H]1CCC[C@H]1CCO ZINC000330547880 377181394 /nfs/dbraw/zinc/18/13/94/377181394.db2.gz ATRYNZOELQXAMC-NHYWBVRUSA-N 0 3 262.328 2.338 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](N2CCOCC2)C1 ZINC000563364476 377188367 /nfs/dbraw/zinc/18/83/67/377188367.db2.gz NKWRVMKRXGSYNO-MAUKXSAKSA-N 0 3 299.418 2.416 20 30 CEEDHN CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424967983 377315249 /nfs/dbraw/zinc/31/52/49/377315249.db2.gz UAYREIVMVWVSIF-GXTWGEPZSA-N 0 3 271.364 2.170 20 30 CEEDHN C=CCC1(C(=O)NC[C@H]2CCCCN2CC)CCOCC1 ZINC000424661223 377280141 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377776004 /nfs/dbraw/zinc/77/60/04/377776004.db2.gz ZPPAXHBQTFBFPX-NWDGAFQWSA-N 0 3 291.420 2.470 20 30 CEEDHN C=CC(C)(C)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000566282220 377751152 /nfs/dbraw/zinc/75/11/52/377751152.db2.gz FCUFKRZRSYDOAE-GFCCVEGCSA-N 0 3 252.402 2.387 20 30 CEEDHN CN(C[C@H]1CCOC1)C(=O)C(C#N)CCc1ccccc1 ZINC000433360647 377792592 /nfs/dbraw/zinc/79/25/92/377792592.db2.gz FFVCRTKPRPFDQI-CVEARBPZSA-N 0 3 286.375 2.254 20 30 CEEDHN CCCOc1cccc(CCNC(=O)C(C)C#N)c1 ZINC000434362031 377798993 /nfs/dbraw/zinc/79/89/93/377798993.db2.gz KIMLHQAFCJUSJS-GFCCVEGCSA-N 0 3 260.337 2.294 20 30 CEEDHN CCCN(C)CC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000439671154 377927078 /nfs/dbraw/zinc/92/70/78/377927078.db2.gz ZUVIUQSHCWZFDK-HNNXBMFYSA-N 0 3 273.380 2.489 20 30 CEEDHN COC[C@@]1(C)CCN(CCOc2cccc(C#N)c2)C1 ZINC000294180646 377929666 /nfs/dbraw/zinc/92/96/66/377929666.db2.gz KBAPIKBTHYLKOX-INIZCTEOSA-N 0 3 274.364 2.295 20 30 CEEDHN C#CCOc1ccc(CN[C@@H]2C[C@H](C)O[C@@H]2C)cc1 ZINC000294685668 378010556 /nfs/dbraw/zinc/01/05/56/378010556.db2.gz AEQMIKLHZQLZLT-WOSRLPQWSA-N 0 3 259.349 2.354 20 30 CEEDHN C[C@@H]1[C@@H](C)CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000265983643 190220610 /nfs/dbraw/zinc/22/06/10/190220610.db2.gz GHZIWMBNOKMGMK-UONOGXRCSA-N 0 3 285.391 2.295 20 30 CEEDHN CS(=O)(=O)Cc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442781691 377994392 /nfs/dbraw/zinc/99/43/92/377994392.db2.gz NFMAXPAEDGRZPB-WFASDCNBSA-N 0 3 292.404 2.013 20 30 CEEDHN COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1NC(C)=O ZINC000442788166 377996066 /nfs/dbraw/zinc/99/60/66/377996066.db2.gz XYOOGWATWZCXLQ-GXTWGEPZSA-N 0 3 287.363 2.435 20 30 CEEDHN C#CC[C@@H](NCC1(C(=O)OC)CC1)c1ccccc1 ZINC000294912042 378028475 /nfs/dbraw/zinc/02/84/75/378028475.db2.gz FUWXMZWLCBXYDG-CQSZACIVSA-N 0 3 257.333 2.294 20 30 CEEDHN C#CCN(C)CCCN[C@@H](c1cnn(C)c1)c1ccccc1 ZINC000295060080 378039174 /nfs/dbraw/zinc/03/91/74/378039174.db2.gz RBULXFVRJXQALM-GOSISDBHSA-N 0 3 296.418 2.054 20 30 CEEDHN CC(C)[C@@H]1CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000446727015 378086486 /nfs/dbraw/zinc/08/64/86/378086486.db2.gz TUGKMCVDECIFLW-FMKPAKJESA-N 0 3 279.428 2.407 20 30 CEEDHN Cc1ccc([C@H](CNc2nccc(C#N)n2)N2CCCC2)o1 ZINC000295421565 378149454 /nfs/dbraw/zinc/14/94/54/378149454.db2.gz DZLFWCGFHONCBN-AWEZNQCLSA-N 0 3 297.362 2.499 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](O)CC(C)(C)C1 ZINC000295427759 378152234 /nfs/dbraw/zinc/15/22/34/378152234.db2.gz JAWHJTLAXMZPNH-GJZGRUSLSA-N 0 3 294.439 2.058 20 30 CEEDHN C=C1CCN(CCC(=O)Nc2ccc(C)cn2)CC1 ZINC000447346907 378106017 /nfs/dbraw/zinc/10/60/17/378106017.db2.gz ZZECPBHLQUUXBE-UHFFFAOYSA-N 0 3 259.353 2.371 20 30 CEEDHN C=CCCCNC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000447962840 378164629 /nfs/dbraw/zinc/16/46/29/378164629.db2.gz LUUCFPYETXBHRP-ZDUSSCGKSA-N 0 3 255.406 2.228 20 30 CEEDHN CCCN(CCN(C)C)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000449972628 378258458 /nfs/dbraw/zinc/25/84/58/378258458.db2.gz OOBHKFFJSYLYFS-MRXNPFEDSA-N 0 3 277.412 2.261 20 30 CEEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)[C@]1(C#N)C[C@@H]1C ZINC000450195825 378319793 /nfs/dbraw/zinc/31/97/93/378319793.db2.gz VYXURGNOMLWJLZ-LZWOXQAQSA-N 0 3 277.412 2.163 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2C#N)CCN(C2CC2)C1 ZINC000296086513 378412886 /nfs/dbraw/zinc/41/28/86/378412886.db2.gz QXTLFCGAZVCYED-CQSZACIVSA-N 0 3 269.392 2.474 20 30 CEEDHN C[C@H](NC(=O)[C@]1(C#N)C[C@H]1C)[C@H](c1ccccc1)N(C)C ZINC000450701110 378537725 /nfs/dbraw/zinc/53/77/25/378537725.db2.gz VUMNYJVETDMEFH-CXUGXGMPSA-N 0 3 285.391 2.344 20 30 CEEDHN C[C@H](CO)[C@H](C)NCc1ccc(C#N)cc1OC(F)F ZINC000450732026 378552154 /nfs/dbraw/zinc/55/21/54/378552154.db2.gz CPVNKYUNKHZQMV-ZJUUUORDSA-N 0 3 284.306 2.266 20 30 CEEDHN C#CCOc1ccc(CN[C@H](C)C(C)(C)n2cncn2)cc1 ZINC000296557010 378574695 /nfs/dbraw/zinc/57/46/95/378574695.db2.gz RXOYKCDNDGCYFC-CQSZACIVSA-N 0 3 298.390 2.204 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2CCC[C@@H](C3CC3)C2)cc1 ZINC000289473165 197365334 /nfs/dbraw/zinc/36/53/34/197365334.db2.gz RCLFDPSTXXOKGY-QGZVFWFLSA-N 0 3 297.402 2.296 20 30 CEEDHN CC[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000298511561 378751531 /nfs/dbraw/zinc/75/15/31/378751531.db2.gz MLEGWMODMMIWAV-CQSZACIVSA-N 0 3 287.407 2.495 20 30 CEEDHN C[C@H](CNC(=O)c1ccc(C#N)cc1)N1CCC[C@@H](C)C1 ZINC000298514811 378752150 /nfs/dbraw/zinc/75/21/50/378752150.db2.gz WNMYJYDCQKQKDD-ZIAGYGMSSA-N 0 3 285.391 2.408 20 30 CEEDHN CCN1CCCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000299668751 379099585 /nfs/dbraw/zinc/09/95/85/379099585.db2.gz XZRUWWUCDTXVRX-CMDGGOBGSA-N 0 3 283.375 2.126 20 30 CEEDHN N#Cc1ccc(CN[C@H](CO)C2CCCC2)s1 ZINC000289463445 197359697 /nfs/dbraw/zinc/35/96/97/197359697.db2.gz CRSVSZIUULLGAU-CYBMUJFWSA-N 0 3 250.367 2.260 20 30 CEEDHN CC(C)c1cccc(CNC[C@@H](O)CN(C)CCC#N)c1 ZINC000514932040 379164687 /nfs/dbraw/zinc/16/46/87/379164687.db2.gz ARAXJBCTSLSQJC-QGZVFWFLSA-N 0 3 289.423 2.106 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000520508073 379480500 /nfs/dbraw/zinc/48/05/00/379480500.db2.gz ILXYWQPTORTXCK-FVQBIDKESA-N 0 3 294.439 2.204 20 30 CEEDHN N#Cc1ccccc1COc1cccc(CNCCO)c1 ZINC000304209280 379530056 /nfs/dbraw/zinc/53/00/56/379530056.db2.gz CYWUSKBNTKJFQX-UHFFFAOYSA-N 0 3 282.343 2.219 20 30 CEEDHN CC1(C)CCCN[C@H]1C(=O)NCc1ccc(CC#N)cc1 ZINC000521437987 379530840 /nfs/dbraw/zinc/53/08/40/379530840.db2.gz KJAFUWPTVRESSK-HNNXBMFYSA-N 0 3 285.391 2.147 20 30 CEEDHN COc1ccc(CN2CCC[C@@H](C)[C@@H]2CO)cc1C#N ZINC000305708836 379736475 /nfs/dbraw/zinc/73/64/75/379736475.db2.gz DPEHWDWPNLIKNX-DOMZBBRYSA-N 0 3 274.364 2.160 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)c2ccncn2)c1C ZINC000487496015 380085811 /nfs/dbraw/zinc/08/58/11/380085811.db2.gz CORRUQKLOMLRBK-LBPRGKRZSA-N 0 3 266.304 2.339 20 30 CEEDHN N#Cc1cc(CN2CCN(C3CCC3)CC2)ccc1F ZINC000268269424 190391463 /nfs/dbraw/zinc/39/14/63/190391463.db2.gz ZTPJBAOWZNVYIG-UHFFFAOYSA-N 0 3 273.355 2.367 20 30 CEEDHN C[C@@H](CNC(=O)N1CCC(C#N)CC1)N1CCCC[C@H]1C ZINC000334349850 380284653 /nfs/dbraw/zinc/28/46/53/380284653.db2.gz DSLSBDQHPQMEIP-KGLIPLIRSA-N 0 3 292.427 2.194 20 30 CEEDHN C[C@@H](NC(=O)/C=C\c1cccc(C#N)c1)C1=CCN(C)CC1 ZINC000492405622 380541695 /nfs/dbraw/zinc/54/16/95/380541695.db2.gz DEBICACUVBRPQJ-LMVHVUTASA-N 0 3 295.386 2.338 20 30 CEEDHN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(C)C#N ZINC000493034745 380771458 /nfs/dbraw/zinc/77/14/58/380771458.db2.gz GLBNVYBSVSJCMZ-NWDGAFQWSA-N 0 3 297.399 2.202 20 30 CEEDHN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(C)C#N ZINC000493034746 380771795 /nfs/dbraw/zinc/77/17/95/380771795.db2.gz GLBNVYBSVSJCMZ-RYUDHWBXSA-N 0 3 297.399 2.202 20 30 CEEDHN CC(C#N)C(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000493074902 380787363 /nfs/dbraw/zinc/78/73/63/380787363.db2.gz SKFMAPHLFCBJIW-LLVKDONJSA-N 0 3 295.383 2.004 20 30 CEEDHN CN(C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CC1(C)C ZINC000489445619 269689793 /nfs/dbraw/zinc/68/97/93/269689793.db2.gz MGSOGTAIJMVDNW-UKRRQHHQSA-N 0 3 274.364 2.028 20 30 CEEDHN C[C@H]1CCC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000279347345 194393780 /nfs/dbraw/zinc/39/37/80/194393780.db2.gz VHBSVWWJHPMLLM-GXSJLCMTSA-N 0 3 263.366 2.336 20 30 CEEDHN N#CCc1ccc(CN2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000494051908 381153186 /nfs/dbraw/zinc/15/31/86/381153186.db2.gz VZPRXRGFNOLSLO-UHFFFAOYSA-N 0 3 279.343 2.412 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000494879958 381164573 /nfs/dbraw/zinc/16/45/73/381164573.db2.gz RFNUMSCYJWOZAG-STQMWFEESA-N 0 3 265.401 2.219 20 30 CEEDHN CCOC(=O)N1CCC([C@@H](C)NCC2(C#N)CC2)CC1 ZINC000495529684 381175221 /nfs/dbraw/zinc/17/52/21/381175221.db2.gz OWEJGZRWMNIGCT-GFCCVEGCSA-N 0 3 279.384 2.137 20 30 CEEDHN C=CCOCCCN1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000495552968 381175749 /nfs/dbraw/zinc/17/57/49/381175749.db2.gz DBYZAZMHNKEFMP-CYBMUJFWSA-N 0 3 284.400 2.178 20 30 CEEDHN N#CCc1ccc(CN2CC[C@@H](CN3CCOC3=O)C2)cc1 ZINC000496338706 381208873 /nfs/dbraw/zinc/20/88/73/381208873.db2.gz GJKDWLWSPIIALN-MRXNPFEDSA-N 0 3 299.374 2.027 20 30 CEEDHN CN(CCNC(=O)OC(C)(C)C)[C@H]1CC[C@H](C#N)C1 ZINC000496401986 381212851 /nfs/dbraw/zinc/21/28/51/381212851.db2.gz VOTTXDBZXPIWPO-RYUDHWBXSA-N 0 3 267.373 2.135 20 30 CEEDHN CC(C#N)C(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1 ZINC000496766582 381227255 /nfs/dbraw/zinc/22/72/55/381227255.db2.gz MAEFEXYSSNDYPO-NSHDSACASA-N 0 3 295.383 2.100 20 30 CEEDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCCC#N)C[C@H]2C1 ZINC000496962712 381235538 /nfs/dbraw/zinc/23/55/38/381235538.db2.gz ZUYHIADOPGJCAS-KGLIPLIRSA-N 0 3 293.411 2.479 20 30 CEEDHN CS[C@H]1CN(Cc2ccc(C#N)s2)C[C@H]1N(C)C ZINC000581258642 322382326 /nfs/dbraw/zinc/38/23/26/322382326.db2.gz GLUPDXVXAVPMIY-OLZOCXBDSA-N 0 3 281.450 2.097 20 30 CEEDHN C[C@@H](C(=O)NCCN1CCCCC1)c1cncnc1 ZINC000330293768 533097414 /nfs/dbraw/zinc/09/74/14/533097414.db2.gz IAPMMWSSRMMHIP-GFCCVEGCSA-N 0 3 262.357 2.023 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000352155171 533110387 /nfs/dbraw/zinc/11/03/87/533110387.db2.gz CQRCZOCUXVXLHL-JSGCOSHPSA-N 0 3 290.338 2.493 20 30 CEEDHN CC(C#N)C(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000336047913 533111965 /nfs/dbraw/zinc/11/19/65/533111965.db2.gz YLTQMQUMVMAVJA-GXFFZTMASA-N 0 3 278.739 2.400 20 30 CEEDHN N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)nc1 ZINC000292820590 128324021 /nfs/dbraw/zinc/32/40/21/128324021.db2.gz PWRSMXPVEUULOF-OAHLLOKOSA-N 0 3 295.342 2.312 20 30 CEEDHN N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)nc1 ZINC000292820590 128324022 /nfs/dbraw/zinc/32/40/22/128324022.db2.gz PWRSMXPVEUULOF-OAHLLOKOSA-N 0 3 295.342 2.312 20 30 CEEDHN C[C@@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1Cc1ccccc1 ZINC000288092222 197002716 /nfs/dbraw/zinc/00/27/16/197002716.db2.gz ADWPPGVLECZAEA-CJNGLKHVSA-N 0 3 293.374 2.423 20 30 CEEDHN C[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)N(C)C1CC1 ZINC000333149071 260034833 /nfs/dbraw/zinc/03/48/33/260034833.db2.gz GOLOEDJHEWJSCR-LRDDRELGSA-N 0 3 275.396 2.059 20 30 CEEDHN C[C@@H](SCCN(C)C)C(=O)Nc1ccccc1C#N ZINC000094822715 184875289 /nfs/dbraw/zinc/87/52/89/184875289.db2.gz ZTRLXMHWRYGZGB-LLVKDONJSA-N 0 3 277.393 2.180 20 30 CEEDHN COc1cc(CN[C@@H](CO)Cc2ccccc2)ccc1C#N ZINC000281798906 195386212 /nfs/dbraw/zinc/38/62/12/195386212.db2.gz VCDYLHDTBZWEMR-QGZVFWFLSA-N 0 3 296.370 2.260 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](CO)[C@@H]1C ZINC000412069009 533269786 /nfs/dbraw/zinc/26/97/86/533269786.db2.gz FMOFHTUBHZKVHL-JSGCOSHPSA-N 0 3 274.364 2.160 20 30 CEEDHN COc1ccc(CCCN(C)C(=O)C(C)C#N)cc1 ZINC000347082923 533470001 /nfs/dbraw/zinc/47/00/01/533470001.db2.gz YOUFQQJEFPIFMJ-GFCCVEGCSA-N 0 3 260.337 2.246 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@H](CO)[C@H]1C ZINC000412068908 533494094 /nfs/dbraw/zinc/49/40/94/533494094.db2.gz FJJWOEHTBOLKBG-IUODEOHRSA-N 0 3 274.364 2.160 20 30 CEEDHN C[C@H](Cn1cccn1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037155380 394495593 /nfs/dbraw/zinc/49/55/93/394495593.db2.gz RXXBZHYXHWDKTP-OLZOCXBDSA-N 0 3 254.337 2.494 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2ncc(C#N)cc2F)CN1C1CC1 ZINC000413188514 394501444 /nfs/dbraw/zinc/50/14/44/394501444.db2.gz UWKHDVHBTNTVFL-MWLCHTKSSA-N 0 3 260.316 2.129 20 30 CEEDHN CC(C)[C@@H]1CN(C)CCN1Cc1ccc(C#N)c(F)c1 ZINC000421346544 394504612 /nfs/dbraw/zinc/50/46/12/394504612.db2.gz TWHCEBCIQFRRGG-INIZCTEOSA-N 0 3 275.371 2.469 20 30 CEEDHN CC(C)(O)[C@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000305734026 394511115 /nfs/dbraw/zinc/51/11/15/394511115.db2.gz LFQYGKXKPKPHFY-OAHLLOKOSA-N 0 3 261.340 2.413 20 30 CEEDHN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@H]1CCn2cncc2C1 ZINC000328979509 394558946 /nfs/dbraw/zinc/55/89/46/394558946.db2.gz XMASIAQBKSITGL-GXFFZTMASA-N 0 3 285.351 2.203 20 30 CEEDHN O=C(NCc1cccc2cc[nH]c21)N1CCN2CCC[C@H]2C1 ZINC000329814492 394587366 /nfs/dbraw/zinc/58/73/66/394587366.db2.gz UPBCPFODLODGFI-HNNXBMFYSA-N 0 3 298.390 2.362 20 30 CEEDHN Cc1cc(C)c(C#N)c(N2CC[C@@H](N3CCCC3)C2)n1 ZINC000071138544 394587945 /nfs/dbraw/zinc/58/79/45/394587945.db2.gz PGSCECUBLQJBRZ-CQSZACIVSA-N 0 3 270.380 2.245 20 30 CEEDHN Cc1ncc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c(C2CC2)n1 ZINC000329821850 394588647 /nfs/dbraw/zinc/58/86/47/394588647.db2.gz YVMFAMFJMTVYRM-ZWNOBZJWSA-N 0 3 288.395 2.450 20 30 CEEDHN CC(C)c1ccoc1C(=O)NCC1CCN(CCO)CC1 ZINC000330479907 394614961 /nfs/dbraw/zinc/61/49/61/394614961.db2.gz ZMWBUYYQJQTVMB-UHFFFAOYSA-N 0 3 294.395 2.412 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1nc(C)oc1C ZINC000330613221 394621707 /nfs/dbraw/zinc/62/17/07/394621707.db2.gz YNQWLIRXIRNDHU-LBPRGKRZSA-N 0 3 265.357 2.470 20 30 CEEDHN CCC1(O)CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000266578712 394667934 /nfs/dbraw/zinc/66/79/34/394667934.db2.gz HKGFODAEQNVVPW-UHFFFAOYSA-N 0 3 274.364 2.326 20 30 CEEDHN C[C@@H](C(=O)NCc1ccc(C#N)s1)N1[C@H](C)CC[C@@H]1C ZINC000421921937 394639402 /nfs/dbraw/zinc/63/94/02/394639402.db2.gz QRAWMPVXWUGQDJ-TUAOUCFPSA-N 0 3 291.420 2.497 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2cnn3c2CCCC3)nc(C)n1 ZINC000333119866 394641442 /nfs/dbraw/zinc/64/14/42/394641442.db2.gz UTUNTKIWGSXCAT-GFCCVEGCSA-N 0 3 295.346 2.116 20 30 CEEDHN CC(C)N1CCC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000333667050 394650779 /nfs/dbraw/zinc/65/07/79/394650779.db2.gz IBCAELSMLZZRLZ-YOEHRIQHSA-N 0 3 289.423 2.449 20 30 CEEDHN C=CCOc1ccc(CNC(=O)CN(C)CCC)cc1 ZINC000359096720 394740975 /nfs/dbraw/zinc/74/09/75/394740975.db2.gz GNTIENJTTFKTDR-UHFFFAOYSA-N 0 3 276.380 2.209 20 30 CEEDHN Cc1cc([C@H]2CN(C(=O)C(C)C#N)CCO2)ccc1F ZINC000334307911 394673257 /nfs/dbraw/zinc/67/32/57/394673257.db2.gz HWHKXSROASEAPA-BXUZGUMPSA-N 0 3 276.311 2.194 20 30 CEEDHN C[C@H]1[C@H](C)N(CCCOc2cccc(C#N)c2)CCN1C ZINC000356997686 394676013 /nfs/dbraw/zinc/67/60/13/394676013.db2.gz IVVMIECTNYUAAO-GJZGRUSLSA-N 0 3 287.407 2.352 20 30 CEEDHN C[C@@H]1[C@@H](C)N(Cc2ccc(F)cc2C#N)CCN1C ZINC000357001452 394677894 /nfs/dbraw/zinc/67/78/94/394677894.db2.gz MKPHLDFDSNTARD-VXGBXAGGSA-N 0 3 261.344 2.222 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000334373198 394678901 /nfs/dbraw/zinc/67/89/01/394678901.db2.gz ZPYFGGSFDNUYFD-OAHLLOKOSA-N 0 3 265.401 2.259 20 30 CEEDHN C=C(C)CNC(=[NH2+])NCc1c([O-])ccc2c1CCCC2 ZINC000267462513 394680294 /nfs/dbraw/zinc/68/02/94/394680294.db2.gz VRVREGOUYSUSHH-UHFFFAOYSA-N 0 3 273.380 2.251 20 30 CEEDHN C=CCOc1ccccc1CNCCCS(=O)(=O)CC ZINC000414539816 394746316 /nfs/dbraw/zinc/74/63/16/394746316.db2.gz FDTAMKBWSXCECN-UHFFFAOYSA-N 0 3 297.420 2.166 20 30 CEEDHN CN(C)C/C=C/C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000269621491 394719768 /nfs/dbraw/zinc/71/97/68/394719768.db2.gz QZGVJEZZOUSPSE-USYSOWRXSA-N 0 3 271.364 2.265 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N(C)C[C@@H]1CCCN1C ZINC000334986568 394724197 /nfs/dbraw/zinc/72/41/97/394724197.db2.gz KHQRBMBJTHFECT-AWEZNQCLSA-N 0 3 286.379 2.425 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(C#N)cc2)C1 ZINC000335578932 394776600 /nfs/dbraw/zinc/77/66/00/394776600.db2.gz JZXAVMMVDQTKEJ-OAHLLOKOSA-N 0 3 271.364 2.113 20 30 CEEDHN C=CCN(CC=C)C(=O)NCC1(SC)CCN(C)CC1 ZINC000360698499 394805337 /nfs/dbraw/zinc/80/53/37/394805337.db2.gz WGNLBMPMQBMAIZ-UHFFFAOYSA-N 0 3 297.468 2.197 20 30 CEEDHN CN(C)Cc1ccccc1C(=O)NCCCCC#N ZINC000362754928 394867977 /nfs/dbraw/zinc/86/79/77/394867977.db2.gz CLPLZBYOAOZVAL-UHFFFAOYSA-N 0 3 259.353 2.172 20 30 CEEDHN CC[C@H](N[C@H](C)Cn1cncn1)c1ccc(C#N)cc1 ZINC000278375137 394829894 /nfs/dbraw/zinc/82/98/94/394829894.db2.gz CNDZWHZYHITOIG-DOMZBBRYSA-N 0 3 269.352 2.279 20 30 CEEDHN N#Cc1ccc(N2CC[C@@H](N3CC[C@@H](C4CC4)C3)C2=O)cc1 ZINC000336241231 394836150 /nfs/dbraw/zinc/83/61/50/394836150.db2.gz RRRSMQWVHFBZFS-NVXWUHKLSA-N 0 3 295.386 2.395 20 30 CEEDHN CCO[C@@H]1COCC[C@@H]1NCc1ccc(CC#N)cc1 ZINC000362030243 394842556 /nfs/dbraw/zinc/84/25/56/394842556.db2.gz WSJMHJQXVKBKAE-JKSUJKDBSA-N 0 3 274.364 2.036 20 30 CEEDHN C#C[C@@H](NC(=O)c1ccccc1OCCN(C)C)C(C)C ZINC000282034678 394899922 /nfs/dbraw/zinc/89/99/22/394899922.db2.gz LQLZVRXCUHIELR-OAHLLOKOSA-N 0 3 288.391 2.015 20 30 CEEDHN N#Cc1ccc(OC[C@H](O)CN2CC3(C2)CCCC3)cc1 ZINC000364489587 394909855 /nfs/dbraw/zinc/90/98/55/394909855.db2.gz XPJAPAGJNHUYLO-OAHLLOKOSA-N 0 3 286.375 2.174 20 30 CEEDHN C=C(C)CCN1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000338327426 394914214 /nfs/dbraw/zinc/91/42/14/394914214.db2.gz WBUGDKXVMFSYED-LBPRGKRZSA-N 0 3 264.373 2.281 20 30 CEEDHN C=CCOCCN1CCc2ccc(OC)cc2CC1 ZINC000339053744 394939563 /nfs/dbraw/zinc/93/95/63/394939563.db2.gz HXTLIBAIDGTIIU-UHFFFAOYSA-N 0 3 261.365 2.298 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000366174159 394939803 /nfs/dbraw/zinc/93/98/03/394939803.db2.gz WKTPOTHLXSWSGC-HIFRSBDPSA-N 0 3 265.401 2.078 20 30 CEEDHN N#CCCOCCN1CCC(CCCn2ccnc2)CC1 ZINC000339080553 394940566 /nfs/dbraw/zinc/94/05/66/394940566.db2.gz BNUUGJHWESSVJA-UHFFFAOYSA-N 0 3 290.411 2.306 20 30 CEEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)NC(=O)CO2 ZINC000339070517 394940921 /nfs/dbraw/zinc/94/09/21/394940921.db2.gz ZGWCHJKMAIPONI-LOWVWBTDSA-N 0 3 285.347 2.360 20 30 CEEDHN CC[C@H](CO)N(CCOCCC#N)Cc1ccccc1 ZINC000339085853 394942168 /nfs/dbraw/zinc/94/21/68/394942168.db2.gz YDXJCYWBOAEDCH-MRXNPFEDSA-N 0 3 276.380 2.190 20 30 CEEDHN C=CCCOCCCCC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000342982682 395028613 /nfs/dbraw/zinc/02/86/13/395028613.db2.gz YQIMVXSTUWYMIK-GJZGRUSLSA-N 0 3 294.439 2.491 20 30 CEEDHN C[C@@H](C#N)CN(C)C(=O)CCN1CCc2ccccc2C1 ZINC000416129533 395018508 /nfs/dbraw/zinc/01/85/08/395018508.db2.gz GVHBQCVRFSURNX-AWEZNQCLSA-N 0 3 285.391 2.053 20 30 CEEDHN CCN(CC#N)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000416130740 395019134 /nfs/dbraw/zinc/01/91/34/395019134.db2.gz INHPNLRGBPLDHV-CQSZACIVSA-N 0 3 259.353 2.051 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1cc(C(=O)OC)cs1 ZINC000286309505 395019254 /nfs/dbraw/zinc/01/92/54/395019254.db2.gz XKNIUKWBWUBITQ-KOLCDFICSA-N 0 3 269.366 2.122 20 30 CEEDHN C=CCC[C@H](NC[C@H]1CN(C)CCN1C)c1ccco1 ZINC000285500010 394957819 /nfs/dbraw/zinc/95/78/19/394957819.db2.gz AESMXWBWLVUMHY-GJZGRUSLSA-N 0 3 277.412 2.122 20 30 CEEDHN C#Cc1ccc(CN2CCC3(CCN(C)C3=O)CC2)cc1 ZINC000367371610 394962008 /nfs/dbraw/zinc/96/20/08/394962008.db2.gz QDIJRJRDYLJPBI-UHFFFAOYSA-N 0 3 282.387 2.112 20 30 CEEDHN CC#CCCN1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000155129060 395026195 /nfs/dbraw/zinc/02/61/95/395026195.db2.gz AEQHOSLFNFNLPS-UHFFFAOYSA-N 0 3 276.424 2.370 20 30 CEEDHN C=CCCOCCNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000339777286 394970727 /nfs/dbraw/zinc/97/07/27/394970727.db2.gz SEVLMWGMNCVVCC-LSDHHAIUSA-N 0 3 297.443 2.141 20 30 CEEDHN CN(C)Cc1ccc(C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424980205 395047013 /nfs/dbraw/zinc/04/70/13/395047013.db2.gz ULURZGBHOFJBMP-DZGCQCFKSA-N 0 3 271.364 2.170 20 30 CEEDHN C=C(C)CN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000372804839 395047463 /nfs/dbraw/zinc/04/74/63/395047463.db2.gz GESGRUOOPVCDOP-HIFRSBDPSA-N 0 3 262.328 2.263 20 30 CEEDHN C=CCCCN(C)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000372980123 395051033 /nfs/dbraw/zinc/05/10/33/395051033.db2.gz ZEOKFLKCSCKKJL-UHFFFAOYSA-N 0 3 271.368 2.275 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ncc2c(c1C#N)CCC2 ZINC000425222590 395051783 /nfs/dbraw/zinc/05/17/83/395051783.db2.gz ASDXLWGNMDILEQ-WBMJQRKESA-N 0 3 284.407 2.218 20 30 CEEDHN C[C@@H]1C[C@H](Nc2c(C#N)cccc2[N+](=O)[O-])CCN1C ZINC000425236589 395052943 /nfs/dbraw/zinc/05/29/43/395052943.db2.gz QKTJZJVKSMPMAE-ZYHUDNBSSA-N 0 3 274.324 2.361 20 30 CEEDHN CC(C)N(CCN(C)C)c1ncc2c(c1C#N)CCC2 ZINC000425243797 395053985 /nfs/dbraw/zinc/05/39/85/395053985.db2.gz QUCYSYLPHWSQBK-UHFFFAOYSA-N 0 3 272.396 2.218 20 30 CEEDHN CN(C)Cc1cccc(C(=O)NCC2(C#N)CCC2)c1 ZINC000416344409 395055001 /nfs/dbraw/zinc/05/50/01/395055001.db2.gz CJYGONLMVPFQEV-UHFFFAOYSA-N 0 3 271.364 2.172 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@H]3OCC[C@H]32)cc1 ZINC000373490836 395061985 /nfs/dbraw/zinc/06/19/85/395061985.db2.gz RNHYVMBWRPYTJV-IAGOWNOFSA-N 0 3 271.360 2.452 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CC23CC3)CC1 ZINC000416700303 395067920 /nfs/dbraw/zinc/06/79/20/395067920.db2.gz XTBYHSPPPKQALK-CYBMUJFWSA-N 0 3 277.412 2.126 20 30 CEEDHN C#CCC(CC#C)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000288998016 395068431 /nfs/dbraw/zinc/06/84/31/395068431.db2.gz IGQZHTNVPSTBPL-KRWDZBQOSA-N 0 3 286.419 2.126 20 30 CEEDHN CC[C@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000345788010 395077118 /nfs/dbraw/zinc/07/71/18/395077118.db2.gz OYTWHTFMTMKWKM-OLZOCXBDSA-N 0 3 263.385 2.059 20 30 CEEDHN C#C[C@@H](NCc1ccccc1OCCOC)C(C)C ZINC000289655312 395082780 /nfs/dbraw/zinc/08/27/80/395082780.db2.gz YFMXDTWFTOLCOZ-OAHLLOKOSA-N 0 3 261.365 2.459 20 30 CEEDHN CC(C#N)C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000426992021 395088096 /nfs/dbraw/zinc/08/80/96/395088096.db2.gz PJCKNCLHXSOOBA-RYUDHWBXSA-N 0 3 278.377 2.415 20 30 CEEDHN C=C[C@H](CO)N[C@H](C)c1cc(OC)c(OC)cc1C ZINC000289936045 395091631 /nfs/dbraw/zinc/09/16/31/395091631.db2.gz VTZLDYBJMZUWDW-VXGBXAGGSA-N 0 3 265.353 2.210 20 30 CEEDHN Cc1ccccc1[C@@H]1CN(C(=O)C(C)C#N)[C@H](C)CO1 ZINC000346301238 395094432 /nfs/dbraw/zinc/09/44/32/395094432.db2.gz PJWBHZSDGDSMRP-NFAWXSAZSA-N 0 3 272.348 2.443 20 30 CEEDHN Cc1ccccc1[C@@H]1CN(C(=O)C(C)C#N)[C@@H](C)CO1 ZINC000346301233 395094662 /nfs/dbraw/zinc/09/46/62/395094662.db2.gz PJWBHZSDGDSMRP-IPYPFGDCSA-N 0 3 272.348 2.443 20 30 CEEDHN C[C@H](CN(C)C)Nc1nc2c(cc1C#N)CCCC2 ZINC000158073000 395036826 /nfs/dbraw/zinc/03/68/26/395036826.db2.gz CVCVQPMJCYZHAG-LLVKDONJSA-N 0 3 258.369 2.194 20 30 CEEDHN C=CCC[C@H](NC[C@]1(O)CCO[C@@H]1C)c1ccco1 ZINC000287502730 395042773 /nfs/dbraw/zinc/04/27/73/395042773.db2.gz NTMJETTWHONSKT-VNHYZAJKSA-N 0 3 265.353 2.416 20 30 CEEDHN Cc1ccc(C#N)c(N[C@H]2CN(C3CC3)C[C@@H]2C)n1 ZINC000287663685 395045003 /nfs/dbraw/zinc/04/50/03/395045003.db2.gz BOXNVLPEZFPXGU-HZMBPMFUSA-N 0 3 256.353 2.156 20 30 CEEDHN CC(C)N(C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCOC1 ZINC000292001176 395182289 /nfs/dbraw/zinc/18/22/89/395182289.db2.gz XJEWGCHCBQUKDR-JKSUJKDBSA-N 0 3 274.364 2.091 20 30 CEEDHN C=CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000505727608 395167756 /nfs/dbraw/zinc/16/77/56/395167756.db2.gz ROVCCLBSEYNPSK-ZFWWWQNUSA-N 0 3 275.396 2.471 20 30 CEEDHN C=C(C)CCN1CCN(Cc2nccn2C(F)F)CC1 ZINC000351717937 395230830 /nfs/dbraw/zinc/23/08/30/395230830.db2.gz GHRRUHSARKPPPD-UHFFFAOYSA-N 0 3 284.354 2.362 20 30 CEEDHN C=CCOCCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000293555219 395239454 /nfs/dbraw/zinc/23/94/54/395239454.db2.gz RLAAGLSQVQWBLX-UHFFFAOYSA-N 0 3 299.418 2.269 20 30 CEEDHN C#CCNC(=O)CCN(Cc1ccc(Cl)cc1)C1CC1 ZINC000293654472 395245556 /nfs/dbraw/zinc/24/55/56/395245556.db2.gz YDGWQJAQIADJLR-UHFFFAOYSA-N 0 3 290.794 2.444 20 30 CEEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000352418200 395251086 /nfs/dbraw/zinc/25/10/86/395251086.db2.gz AACDGSDHHGYYLY-RMDKCXRXSA-N 0 3 278.377 2.103 20 30 CEEDHN C=CCCCN1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000293029390 395216499 /nfs/dbraw/zinc/21/64/99/395216499.db2.gz RJHQQWRORYUDRV-MRXNPFEDSA-N 0 3 272.392 2.386 20 30 CEEDHN CS(=O)(=O)C[C@H](NCCCCC#N)c1ccccc1 ZINC000181788695 395224714 /nfs/dbraw/zinc/22/47/14/395224714.db2.gz NUNWNZKMKPNYOP-AWEZNQCLSA-N 0 3 280.393 2.056 20 30 CEEDHN COc1cc(CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)ccc1C#N ZINC000527803669 395281887 /nfs/dbraw/zinc/28/18/87/395281887.db2.gz IAYGDWJXLWCCQU-BUWBCJGYSA-N 0 3 274.364 2.468 20 30 CEEDHN C=CCOc1ccccc1CNC[C@@H](CO)C1CC1 ZINC000353079514 395286799 /nfs/dbraw/zinc/28/67/99/395286799.db2.gz JMNKNFKBAOVKAV-HNNXBMFYSA-N 0 3 261.365 2.360 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000186251940 395288378 /nfs/dbraw/zinc/28/83/78/395288378.db2.gz KBYKWNVMPCSLSC-QGZVFWFLSA-N 0 3 299.418 2.021 20 30 CEEDHN C=CCCCCNC(=O)N1CCCN(C(C)C)CC1 ZINC000353332819 395294241 /nfs/dbraw/zinc/29/42/41/395294241.db2.gz DRWOGVLXVVCNQR-UHFFFAOYSA-N 0 3 267.417 2.468 20 30 CEEDHN CC1(C)CN(c2ccc(C(F)(F)F)c(C#N)n2)CCN1 ZINC000420289472 395297161 /nfs/dbraw/zinc/29/71/61/395297161.db2.gz ZJIOVHCJBGJLIU-UHFFFAOYSA-N 0 3 284.285 2.160 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCC(C)(C)CCC#N ZINC000354177632 395319656 /nfs/dbraw/zinc/31/96/56/395319656.db2.gz HVCBOSFOWOOOSP-GXTWGEPZSA-N 0 3 292.427 2.098 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccccc1C(F)(F)F ZINC000294022520 395262775 /nfs/dbraw/zinc/26/27/75/395262775.db2.gz QSRJVNVFOYLAIA-UHFFFAOYSA-N 0 3 298.308 2.390 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C[C@H]2C[C@@H]2C)CC1 ZINC000354254451 395323593 /nfs/dbraw/zinc/32/35/93/395323593.db2.gz KPIUMLQCCBBCMN-QWHCGFSZSA-N 0 3 250.386 2.189 20 30 CEEDHN C[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)[C@@H](C)[C@H]1C ZINC000419370032 395266506 /nfs/dbraw/zinc/26/65/06/395266506.db2.gz IXLGDLBYGQUZBN-RDBSUJKOSA-N 0 3 285.391 2.151 20 30 CEEDHN COc1cc(CN(C)[C@@H]2CCN(C3CC3)C2)ccc1C#N ZINC000442887985 395397658 /nfs/dbraw/zinc/39/76/58/395397658.db2.gz COMAGHMVOLNHNH-MRXNPFEDSA-N 0 3 285.391 2.235 20 30 CEEDHN COc1cc(CNCC[C@@H](O)C(C)C)ccc1C#N ZINC000440826564 395363062 /nfs/dbraw/zinc/36/30/62/395363062.db2.gz NKRMTFVYDOXCBT-CQSZACIVSA-N 0 3 262.353 2.063 20 30 CEEDHN C#CCCCC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000192169062 395375808 /nfs/dbraw/zinc/37/58/08/395375808.db2.gz DYPZVTBXLSOIEY-OAHLLOKOSA-N 0 3 272.392 2.427 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000435686688 395383707 /nfs/dbraw/zinc/38/37/07/395383707.db2.gz AKZBFSJKVAAHMN-TXEJJXNPSA-N 0 3 289.379 2.452 20 30 CEEDHN CN(C)C(=O)c1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442710797 395391776 /nfs/dbraw/zinc/39/17/76/395391776.db2.gz QRSSXNUXIIMRMR-WFASDCNBSA-N 0 3 271.364 2.170 20 30 CEEDHN CC(=O)Nc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442714386 395391926 /nfs/dbraw/zinc/39/19/26/395391926.db2.gz LGQSNDQWAHQZNL-GXTWGEPZSA-N 0 3 257.337 2.427 20 30 CEEDHN C=CCCN(C)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411617188 395332237 /nfs/dbraw/zinc/33/22/37/395332237.db2.gz KLAHJQDOROLVDO-CQSZACIVSA-N 0 3 262.328 2.439 20 30 CEEDHN CC#CCN(C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000297114159 395335489 /nfs/dbraw/zinc/33/54/89/395335489.db2.gz FYZGKXAWWVSBCX-HNNXBMFYSA-N 0 3 287.407 2.172 20 30 CEEDHN C[C@H](CCC#N)N1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000411659368 395336302 /nfs/dbraw/zinc/33/63/02/395336302.db2.gz GGHPBFMJRSSWGI-UKRRQHHQSA-N 0 3 266.385 2.339 20 30 CEEDHN N#Cc1csc(C(=O)NC2CCN(C3CCC3)CC2)c1 ZINC000297273735 395336623 /nfs/dbraw/zinc/33/66/23/395336623.db2.gz VUVWBMQYMBZETB-UHFFFAOYSA-N 0 3 289.404 2.366 20 30 CEEDHN CCNC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000411751563 395337743 /nfs/dbraw/zinc/33/77/43/395337743.db2.gz BFOCUAYGKQWEGK-CQSZACIVSA-N 0 3 259.353 2.147 20 30 CEEDHN N#Cc1cc(C(=O)N2CCC[C@@H]2CN2CCCCC2)ccn1 ZINC000193123783 395403069 /nfs/dbraw/zinc/40/30/69/395403069.db2.gz DRKWNTZSAVRLIA-MRXNPFEDSA-N 0 3 298.390 2.044 20 30 CEEDHN C[C@@H]1C[C@H](N2CCN(c3ccccc3C#N)CC2)CCO1 ZINC000420899504 395432937 /nfs/dbraw/zinc/43/29/37/395432937.db2.gz FTSHZJQKFYHFFK-GDBMZVCRSA-N 0 3 285.391 2.248 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)CC1(C(=O)OC)CC1 ZINC000448523043 395512582 /nfs/dbraw/zinc/51/25/82/395512582.db2.gz WQEAJIUHLIMUIX-UHFFFAOYSA-N 0 3 284.359 2.499 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000448576037 395519335 /nfs/dbraw/zinc/51/93/35/395519335.db2.gz XPXDDGHDHSOQCC-INIZCTEOSA-N 0 3 296.374 2.228 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000448809355 395540976 /nfs/dbraw/zinc/54/09/76/395540976.db2.gz FOPMYNTUWMSLJH-CYBMUJFWSA-N 0 3 252.402 2.435 20 30 CEEDHN N#Cc1ccc(CN2CCC3(CCC(O)CC3)CC2)nc1 ZINC000565783399 395484720 /nfs/dbraw/zinc/48/47/20/395484720.db2.gz ONLZWZUHOPRYMX-UHFFFAOYSA-N 0 3 285.391 2.470 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN[C@@H]2CCC23CCCC3)c1 ZINC000451461395 395620507 /nfs/dbraw/zinc/62/05/07/395620507.db2.gz UIIOBZXXGKKMAU-MRXNPFEDSA-N 0 3 297.402 2.487 20 30 CEEDHN C[C@H](C#N)CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000568460910 395560514 /nfs/dbraw/zinc/56/05/14/395560514.db2.gz SQOOSXLLDHKUJU-OCCSQVGLSA-N 0 3 263.385 2.059 20 30 CEEDHN COC[C@@](C)(O)CN[C@@H](CCC#N)c1ccc(OC)cc1 ZINC000570170378 395581344 /nfs/dbraw/zinc/58/13/44/395581344.db2.gz IYECHPNLYGWHTA-HOTGVXAUSA-N 0 3 292.379 2.027 20 30 CEEDHN CON1CCC(N(C)Cc2cccc(C#N)c2F)CC1 ZINC000459584641 395666475 /nfs/dbraw/zinc/66/64/75/395666475.db2.gz VTDOSCBLQQHTGP-UHFFFAOYSA-N 0 3 277.343 2.155 20 30 CEEDHN Cc1cc(C)c(C#N)c(N2CCN(C)[C@@H](C(C)C)C2)n1 ZINC000487040846 395667046 /nfs/dbraw/zinc/66/70/46/395667046.db2.gz DELDZCSHLRPKHD-OAHLLOKOSA-N 0 3 272.396 2.347 20 30 CEEDHN Cc1nc(N2CCN(C)[C@@H](C(C)C)C2)ccc1C#N ZINC000487754100 395667557 /nfs/dbraw/zinc/66/75/57/395667557.db2.gz WAAKLUJCNLRHPL-CQSZACIVSA-N 0 3 258.369 2.038 20 30 CEEDHN Cc1cc(CN(C)CCn2cccn2)ccc1C#N ZINC000487877132 395667561 /nfs/dbraw/zinc/66/75/61/395667561.db2.gz SPPGKRWWAAKQQB-UHFFFAOYSA-N 0 3 254.337 2.195 20 30 CEEDHN CC(C)[C@H]1CN(Cc2ccc(C#N)c(F)c2)CCN1C ZINC000488043229 395667862 /nfs/dbraw/zinc/66/78/62/395667862.db2.gz PVZHVWWCLNJZSI-MRXNPFEDSA-N 0 3 275.371 2.469 20 30 CEEDHN CC(C)[C@H]1CN(Cc2ccc(C#N)cc2F)CCN1C ZINC000488042685 395667885 /nfs/dbraw/zinc/66/78/85/395667885.db2.gz OVJQDXOWLZUUFU-MRXNPFEDSA-N 0 3 275.371 2.469 20 30 CEEDHN Cc1cc(CN(C)C[C@H]2CCC[C@@H]2O)ccc1C#N ZINC000488130937 395668052 /nfs/dbraw/zinc/66/80/52/395668052.db2.gz RCURVWKHCMJGPV-CVEARBPZSA-N 0 3 258.365 2.460 20 30 CEEDHN Cc1ccc2ncc(C#N)c(NCCN(C)C3CC3)c2c1 ZINC000488131810 395668097 /nfs/dbraw/zinc/66/80/97/395668097.db2.gz YUZQETBPAQVNMW-UHFFFAOYSA-N 0 3 280.375 2.343 20 30 CEEDHN C#CCN(CC1CCN(C(=O)C(C)(C)C)CC1)C1CC1 ZINC000491438286 395669631 /nfs/dbraw/zinc/66/96/31/395669631.db2.gz BHAXWPFKXAFKRU-UHFFFAOYSA-N 0 3 276.424 2.369 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)/C=C/c1cccc(C#N)c1 ZINC000493135816 395671310 /nfs/dbraw/zinc/67/13/10/395671310.db2.gz CMWNTQDWGCZGGY-FDMDGMSGSA-N 0 3 283.375 2.124 20 30 CEEDHN C=CCN1CC[C@@H](N2CCc3ccccc3[C@@H](C)C2)C1=O ZINC000649835941 396271909 /nfs/dbraw/zinc/27/19/09/396271909.db2.gz WKFQNYYSHJGGMA-WMLDXEAASA-N 0 3 284.403 2.435 20 30 CEEDHN C=CCNC(=O)CN1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000646049256 396277561 /nfs/dbraw/zinc/27/75/61/396277561.db2.gz BMFHFYNQBHXGBA-KBPBESRZSA-N 0 3 264.413 2.437 20 30 CEEDHN CC#CCCCC(=O)N1CCCN(C)C[C@H]1CC ZINC000646050493 396278669 /nfs/dbraw/zinc/27/86/69/396278669.db2.gz WJIMISNCTLXHCO-CQSZACIVSA-N 0 3 250.386 2.123 20 30 CEEDHN C=C(C)[C@@H](CC(=O)NC[C@H]1CCCCN1C1CC1)OCC ZINC000347309610 400371321 /nfs/dbraw/zinc/37/13/21/400371321.db2.gz DUOPAYZYGVVCRF-HZPDHXFCSA-N 0 3 294.439 2.491 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@@H](C)C[C@H](CO)C1 ZINC000420954658 400571799 /nfs/dbraw/zinc/57/17/99/400571799.db2.gz ZQDHKQCDEPOMHV-JSGCOSHPSA-N 0 3 274.364 2.017 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000360020972 155192113 /nfs/dbraw/zinc/19/21/13/155192113.db2.gz BDCDIYZLSXRVRR-XJKSGUPXSA-N 0 3 285.391 2.262 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000360378673 155287055 /nfs/dbraw/zinc/28/70/55/155287055.db2.gz QXYNSDJFOUCHPZ-AWEZNQCLSA-N 0 3 287.407 2.460 20 30 CEEDHN C[C@H](C(=O)N[C@H]1CCCN(C)[C@H]1C)c1cccc(C#N)c1 ZINC000360717572 155357269 /nfs/dbraw/zinc/35/72/69/155357269.db2.gz RIOOAJVCUBMGAU-XEZPLFJOSA-N 0 3 285.391 2.261 20 30 CEEDHN Cn1cc(CN[C@@H]2CCCC[C@@H]2n2cccn2)cc1C#N ZINC000191264531 153165923 /nfs/dbraw/zinc/16/59/23/153165923.db2.gz UTDJYDPIWHSYDM-CVEARBPZSA-N 0 3 283.379 2.367 20 30 CEEDHN Cn1cc(CN2CCC(c3ccnn3C)CC2)cc1C#N ZINC000191303624 153167088 /nfs/dbraw/zinc/16/70/88/153167088.db2.gz GMWNUGFOKYALHB-UHFFFAOYSA-N 0 3 283.379 2.010 20 30 CEEDHN Cn1cc(CNCC[C@@H](O)c2ccccc2)cc1C#N ZINC000289517049 154165790 /nfs/dbraw/zinc/16/57/90/154165790.db2.gz VBHQBKVNKZOKAO-MRXNPFEDSA-N 0 3 269.348 2.110 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000367240278 156155470 /nfs/dbraw/zinc/15/54/70/156155470.db2.gz JCZCIQGETVHOEJ-ZBFHGGJFSA-N 0 3 286.375 2.425 20 30 CEEDHN N#Cc1ccc(OC2CCN(CCCCO)CC2)c(F)c1 ZINC000367608942 156213699 /nfs/dbraw/zinc/21/36/99/156213699.db2.gz UGDJSBGYOZEBQE-UHFFFAOYSA-N 0 3 292.354 2.313 20 30 CEEDHN CN1CC[C@@H]2CCN(Cc3ccc(C#N)s3)C[C@@H]21 ZINC000375033128 157043623 /nfs/dbraw/zinc/04/36/23/157043623.db2.gz URIJILSLXLKADD-RISCZKNCSA-N 0 3 261.394 2.146 20 30 CEEDHN N#Cc1ccc2ncc(CN3CC[C@@]4(C3)CCCOC4)n2c1 ZINC000375300658 157075254 /nfs/dbraw/zinc/07/52/54/157075254.db2.gz BXKKFFBFNIAINO-QGZVFWFLSA-N 0 3 296.374 2.208 20 30 CEEDHN C[C@H](NC[C@H]1CN2CCCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000376178593 157195546 /nfs/dbraw/zinc/19/55/46/157195546.db2.gz RZZLEUFDYPJWEB-QGTPRVQTSA-N 0 3 299.418 2.462 20 30 CEEDHN CCCN1CCCN(c2snc(C)c2C#N)CC1 ZINC000376219035 157197371 /nfs/dbraw/zinc/19/73/71/157197371.db2.gz DENHQLUXNVLCKO-UHFFFAOYSA-N 0 3 264.398 2.245 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)c1ccc(F)c(C#N)c1 ZINC000285723158 196379221 /nfs/dbraw/zinc/37/92/21/196379221.db2.gz USFJMZZJJBOPFB-UHFFFAOYSA-N 0 3 289.354 2.111 20 30 CEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc(C#N)c1 ZINC000285741778 196384982 /nfs/dbraw/zinc/38/49/82/196384982.db2.gz JLPFKXXXKFFVML-CJNGLKHVSA-N 0 3 283.375 2.257 20 30 CEEDHN CCN1CCC[C@H](Nc2nc(C)cc(C)c2C#N)C1 ZINC000040503173 174299796 /nfs/dbraw/zinc/29/97/96/174299796.db2.gz GCYSQROQRRRREU-ZDUSSCGKSA-N 0 3 258.369 2.466 20 30 CEEDHN C=CCCNC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000660385901 414798882 /nfs/dbraw/zinc/79/88/82/414798882.db2.gz BRUOUAHETMQQME-UHFFFAOYSA-N 0 3 291.395 2.002 20 30 CEEDHN C=CCCn1cc(CNCCc2ccccc2C)nn1 ZINC000657290455 414834914 /nfs/dbraw/zinc/83/49/14/414834914.db2.gz QNEMOHQSFRKDQY-UHFFFAOYSA-N 0 3 270.380 2.495 20 30 CEEDHN C=CCCn1cc(CNC[C@H](C)N2CCCC[C@H]2C)nn1 ZINC000657308076 414848200 /nfs/dbraw/zinc/84/82/00/414848200.db2.gz MSGZJPMDWOJIFS-CABCVRRESA-N 0 3 291.443 2.207 20 30 CEEDHN C=CC[C@H](CO)CNCc1ccc(F)c(F)c1F ZINC000657426726 414929124 /nfs/dbraw/zinc/92/91/24/414929124.db2.gz JNKVOOXNPPYBPX-VIFPVBQESA-N 0 3 259.271 2.378 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(O[C@H](C)COC)cc1 ZINC000657436486 414935620 /nfs/dbraw/zinc/93/56/20/414935620.db2.gz VJFMRXUUSIWZOO-UKRRQHHQSA-N 0 3 279.380 2.127 20 30 CEEDHN C=CCCNC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000660611265 414896303 /nfs/dbraw/zinc/89/63/03/414896303.db2.gz ITPDEYPLLWRSNP-BETUJISGSA-N 0 3 253.390 2.125 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cn(C2CCC2)nn1 ZINC000657454800 414946150 /nfs/dbraw/zinc/94/61/50/414946150.db2.gz MLIWVNPLVJQXMB-WFASDCNBSA-N 0 3 276.384 2.074 20 30 CEEDHN C=CCC1(NCc2cn(C(C)C)nn2)CCOCC1 ZINC000657634306 415031357 /nfs/dbraw/zinc/03/13/57/415031357.db2.gz HJYHOGPDIPVHKO-UHFFFAOYSA-N 0 3 264.373 2.074 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@@H]2CCCC[C@@H]21 ZINC000660927579 415039794 /nfs/dbraw/zinc/03/97/94/415039794.db2.gz BADQODICCDPYGD-KKUMJFAQSA-N 0 3 262.397 2.450 20 30 CEEDHN C=CCN(Cc1ccc(C(=O)NC)cc1)[C@@H](C)COC ZINC000661241429 415151130 /nfs/dbraw/zinc/15/11/30/415151130.db2.gz YDAKECOXGFEEPS-ZDUSSCGKSA-N 0 3 276.380 2.069 20 30 CEEDHN C=CCN(CCn1nc(C)cc1C)[C@@H](C)COC ZINC000661241450 415152843 /nfs/dbraw/zinc/15/28/43/415152843.db2.gz YIMDFDFDECLBAO-AWEZNQCLSA-N 0 3 251.374 2.023 20 30 CEEDHN C=CCN(C[C@@H](O)COc1ccc(F)cc1)[C@@H](C)COC ZINC000661245280 415155460 /nfs/dbraw/zinc/15/54/60/415155460.db2.gz AUJYEFGOTPOOOW-DZGCQCFKSA-N 0 3 297.370 2.088 20 30 CEEDHN C=C(CC)CNC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000661289268 415183108 /nfs/dbraw/zinc/18/31/08/415183108.db2.gz DZSSHMYHJDNQDT-AWEZNQCLSA-N 0 3 267.417 2.372 20 30 CEEDHN CCC(C#N)(CC)C(=O)N[C@H](C)CN1CCCCC1 ZINC000044766629 175249395 /nfs/dbraw/zinc/24/93/95/175249395.db2.gz AKUIVEQBTPZIOE-CYBMUJFWSA-N 0 3 265.401 2.307 20 30 CEEDHN C=CC[C@@H]1CCCN(CC(=O)NC2CCCC2)C1 ZINC000661378238 415233121 /nfs/dbraw/zinc/23/31/21/415233121.db2.gz AZIHVQJWKUFWEQ-CYBMUJFWSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)C[C@H]1CCCO1)C(C)C ZINC000046745032 175398855 /nfs/dbraw/zinc/39/88/55/175398855.db2.gz YCPUZNNNBAQCFL-HZPDHXFCSA-N 0 3 294.439 2.370 20 30 CEEDHN C=CCN(C[C@@H]1CCCS(=O)(=O)C1)C(C)(C)C ZINC000661760497 415449490 /nfs/dbraw/zinc/44/94/90/415449490.db2.gz WFQCIPIAWLHRNP-LBPRGKRZSA-N 0 3 259.415 2.098 20 30 CEEDHN C=CCCC1(CNC(=O)CCOC2CNC2)CCCC1 ZINC000659334203 415523977 /nfs/dbraw/zinc/52/39/77/415523977.db2.gz FYYUEVCCBKLIJB-UHFFFAOYSA-N 0 3 280.412 2.008 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCn1c(C)csc1=O ZINC000662080973 415616035 /nfs/dbraw/zinc/61/60/35/415616035.db2.gz SFOUDQVSIFSCPN-BETUJISGSA-N 0 3 264.394 2.401 20 30 CEEDHN C=C[C@H](CO)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000662165302 415668914 /nfs/dbraw/zinc/66/89/14/415668914.db2.gz AYBUBSBQDNHLJP-GFCCVEGCSA-N 0 3 293.754 2.069 20 30 CEEDHN C=C(C)[C@H](CO)N1CCN(c2ccnc3ccccc32)CC1 ZINC000656533580 415746990 /nfs/dbraw/zinc/74/69/90/415746990.db2.gz YLEBTVQOZXSEPI-SFHVURJKSA-N 0 3 297.402 2.294 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCN(c2ccnc3ccccc32)CC1 ZINC000656533579 415747483 /nfs/dbraw/zinc/74/74/83/415747483.db2.gz YLEBTVQOZXSEPI-GOSISDBHSA-N 0 3 297.402 2.294 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)[C@]2(N)C[C@H](OCC)C2(C)C)C1 ZINC000662629520 415911053 /nfs/dbraw/zinc/91/10/53/415911053.db2.gz DUXORKXEMGTNGJ-JKIFEVAISA-N 0 3 294.439 2.334 20 30 CEEDHN CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccc(C#N)cc2)C1 ZINC000077457290 177270882 /nfs/dbraw/zinc/27/08/82/177270882.db2.gz NOZIAYXVXRFHND-GJZGRUSLSA-N 0 3 292.404 2.004 20 30 CEEDHN CS(=O)(=O)[C@H]1CCC[C@@H](NCc2cccc(C#N)c2)C1 ZINC000077456597 177271393 /nfs/dbraw/zinc/27/13/93/177271393.db2.gz RDHQAIZIKCKPGI-CABCVRRESA-N 0 3 292.404 2.004 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc[nH]1)C(C)C ZINC000078397473 177337305 /nfs/dbraw/zinc/33/73/05/177337305.db2.gz BMIFNXVDVQRTOM-HNNXBMFYSA-N 0 3 275.396 2.443 20 30 CEEDHN COCCN(C(=O)C(C)C#N)[C@H](C)c1ccccc1 ZINC000347035002 226023129 /nfs/dbraw/zinc/02/31/29/226023129.db2.gz JVXVFVBPPVVUOU-CHWSQXEVSA-N 0 3 260.337 2.382 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1CCC#N ZINC000347601427 226212443 /nfs/dbraw/zinc/21/24/43/226212443.db2.gz LZPBZVROAUUWKT-HUUCEWRRSA-N 0 3 257.381 2.495 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](C)CC2)CC1 ZINC000171738566 335076620 /nfs/dbraw/zinc/07/66/20/335076620.db2.gz OSXJUWGVWWTUTE-AWEZNQCLSA-N 0 3 279.428 2.468 20 30 CEEDHN CC(C#N)C(=O)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000334143728 227332031 /nfs/dbraw/zinc/33/20/31/227332031.db2.gz RNHYOZWIBXAYIH-SECBINFHSA-N 0 3 264.275 2.125 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CCn2ccnc2C1)N1CCCCCC1 ZINC000330291765 228102113 /nfs/dbraw/zinc/10/21/13/228102113.db2.gz CXVIZMKDUGIPET-ZIAGYGMSSA-N 0 3 290.411 2.419 20 30 CEEDHN N#Cc1csc(CN2CCC[C@H](N3CCCC3)C2)n1 ZINC000356091697 228117365 /nfs/dbraw/zinc/11/73/65/228117365.db2.gz TUXOVZADLWSBNK-ZDUSSCGKSA-N 0 3 276.409 2.075 20 30 CEEDHN O=C(NC1CCC(F)(F)CC1)N[C@@H]1CCn2ccnc2C1 ZINC000330177185 228055970 /nfs/dbraw/zinc/05/59/70/228055970.db2.gz CVJWVSHNJVVVMG-LLVKDONJSA-N 0 3 298.337 2.279 20 30 CEEDHN C[C@H](C(=O)N[C@H]1CCn2ccnc2C1)N1[C@H](C)CC[C@@H]1C ZINC000330283524 228092019 /nfs/dbraw/zinc/09/20/19/228092019.db2.gz WFSMFMDOSUIGNZ-RQJABVFESA-N 0 3 290.411 2.416 20 30 CEEDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N[C@H]1CC[C@H](C#N)C1 ZINC000333092564 228190221 /nfs/dbraw/zinc/19/02/21/228190221.db2.gz OMLNDFMZPCMSEF-YXWQFLTLSA-N 0 3 288.395 2.149 20 30 CEEDHN N#CC(C(=O)Nc1cccc(Cl)c1)c1ccncn1 ZINC000352321739 228219956 /nfs/dbraw/zinc/21/99/56/228219956.db2.gz AOPLRGHRQMHBDO-NSHDSACASA-N 0 3 272.695 2.376 20 30 CEEDHN COc1ccc(CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1C#N ZINC000527805173 269782200 /nfs/dbraw/zinc/78/22/00/269782200.db2.gz UOBJGXLZLKJMLZ-YRORDHRNSA-N 0 3 274.364 2.468 20 30 CEEDHN C#CCCN1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000370605477 260088083 /nfs/dbraw/zinc/08/80/83/260088083.db2.gz ZRKULQDSWSONCA-UHFFFAOYSA-N 0 3 271.364 2.064 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CC23CCCCC3)CC1 ZINC000180713266 260109633 /nfs/dbraw/zinc/10/96/33/260109633.db2.gz UMAOEPIHPAGTGP-HNNXBMFYSA-N 0 3 274.408 2.171 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)C1(C#N)CCCCC1 ZINC000334152352 260142146 /nfs/dbraw/zinc/14/21/46/260142146.db2.gz MHESSEZBVDWNPU-CQSZACIVSA-N 0 3 277.412 2.261 20 30 CEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)N ZINC000037800138 260163654 /nfs/dbraw/zinc/16/36/54/260163654.db2.gz CRRUMWVRBLMURM-MRVPVSSYSA-N 0 3 258.774 2.263 20 30 CEEDHN Cc1noc(CCNC2CC(C#N)(c3ccccc3)C2)n1 ZINC000127856126 260370234 /nfs/dbraw/zinc/37/02/34/260370234.db2.gz NBEVPSJSTBPXOT-UHFFFAOYSA-N 0 3 282.347 2.134 20 30 CEEDHN N#CCCCCN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444729733 261138599 /nfs/dbraw/zinc/13/85/99/261138599.db2.gz HLKIUNVAXDUCLE-QWRGUYRKSA-N 0 3 264.291 2.315 20 30 CEEDHN C#CCN(CCC(=O)N(C)OC)[C@@H]1CCc2ccccc21 ZINC000490637166 261175841 /nfs/dbraw/zinc/17/58/41/261175841.db2.gz QGSGSDSDICASTR-MRXNPFEDSA-N 0 3 286.375 2.019 20 30 CEEDHN CC(C)(C#N)CCCN1CCN(C2CCOCC2)CC1 ZINC000175484594 261230925 /nfs/dbraw/zinc/23/09/25/261230925.db2.gz CCVAWCKKNYKBAI-UHFFFAOYSA-N 0 3 279.428 2.113 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCCCCCOC)CC1 ZINC000106267971 261322825 /nfs/dbraw/zinc/32/28/25/261322825.db2.gz CQSWIVOKYCLTDT-UHFFFAOYSA-N 0 3 297.443 2.143 20 30 CEEDHN C=CCCC1(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)CC1 ZINC000361775424 261391683 /nfs/dbraw/zinc/39/16/83/261391683.db2.gz GHBYUWQECFTYGL-CQSZACIVSA-N 0 3 262.397 2.428 20 30 CEEDHN CN(CCCC#N)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000497218539 262113167 /nfs/dbraw/zinc/11/31/67/262113167.db2.gz CEDIBEJODOQHOB-UHFFFAOYSA-N 0 3 267.373 2.278 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NCC(=O)NCCc2ccccc2)C1 ZINC000193089614 262216119 /nfs/dbraw/zinc/21/61/19/262216119.db2.gz ARAQUOLDGFDSRG-JKSUJKDBSA-N 0 3 285.391 2.017 20 30 CEEDHN N#C[C@H]1CCC[C@H](NCC(=O)NCCc2ccccc2)C1 ZINC000193089633 262216188 /nfs/dbraw/zinc/21/61/88/262216188.db2.gz ARAQUOLDGFDSRG-HOTGVXAUSA-N 0 3 285.391 2.017 20 30 CEEDHN C=CC1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000111257729 262257939 /nfs/dbraw/zinc/25/79/39/262257939.db2.gz SRNVHZOZDJIGPZ-MRXNPFEDSA-N 0 3 286.375 2.196 20 30 CEEDHN N#CC1(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000160818720 262301363 /nfs/dbraw/zinc/30/13/63/262301363.db2.gz HHLQUISSVWOFRY-HNNXBMFYSA-N 0 3 283.375 2.071 20 30 CEEDHN CC[C@H]1[C@H](C)CCN1CC(=O)NC1(C#N)CCCCC1 ZINC000185622599 262306652 /nfs/dbraw/zinc/30/66/52/262306652.db2.gz XZFFFLMHSFZXNB-KGLIPLIRSA-N 0 3 277.412 2.449 20 30 CEEDHN C(#Cc1ccccc1)CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000365252242 262355027 /nfs/dbraw/zinc/35/50/27/262355027.db2.gz APJUFPADAVIIGD-IRXDYDNUSA-N 0 3 255.361 2.397 20 30 CEEDHN C#Cc1ccccc1CC(=O)N1CCCC12CCN(C)CC2 ZINC000365600114 262372835 /nfs/dbraw/zinc/37/28/35/262372835.db2.gz GLAXPWYQHYHPSI-UHFFFAOYSA-N 0 3 296.414 2.297 20 30 CEEDHN N#CC1(CCN2CCC(OCCO)CC2)CCCCC1 ZINC000411403370 262692481 /nfs/dbraw/zinc/69/24/81/262692481.db2.gz BMSBCZATSALGQB-UHFFFAOYSA-N 0 3 280.412 2.324 20 30 CEEDHN CCN(C)CCNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280325432 263060417 /nfs/dbraw/zinc/06/04/17/263060417.db2.gz ZJCVAKLKUWSCCW-UHFFFAOYSA-N 0 3 273.380 2.169 20 30 CEEDHN C=CC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280831099 263064597 /nfs/dbraw/zinc/06/45/97/263064597.db2.gz IOIJQLALJKTCHS-DOMZBBRYSA-N 0 3 267.332 2.321 20 30 CEEDHN C=CCC[C@H](O)CN1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340192389 263087437 /nfs/dbraw/zinc/08/74/37/263087437.db2.gz NVRITHMOYGJCIC-SRVKXCTJSA-N 0 3 281.318 2.091 20 30 CEEDHN C#CC(C)(C)N(C)CCC(=O)N1CCc2ccccc21 ZINC000286148766 263097404 /nfs/dbraw/zinc/09/74/04/263097404.db2.gz NMPKXOAMVVTFGA-UHFFFAOYSA-N 0 3 270.376 2.309 20 30 CEEDHN C=C(C)CN(C)CCc1c(C)nc2ccccn2c1=O ZINC000340243606 263100069 /nfs/dbraw/zinc/10/00/69/263100069.db2.gz BVEHPAXHAMQPJL-UHFFFAOYSA-N 0 3 271.364 2.053 20 30 CEEDHN CC(C)C[C@@H](CNC(=O)c1cscc1C#N)N(C)C ZINC000340291142 263105230 /nfs/dbraw/zinc/10/52/30/263105230.db2.gz UMWOFJJEJQNBCV-LBPRGKRZSA-N 0 3 279.409 2.326 20 30 CEEDHN CCCN(CC#N)C(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291367913 263121688 /nfs/dbraw/zinc/12/16/88/263121688.db2.gz ADYXZDMAFMRVGW-UONOGXRCSA-N 0 3 286.331 2.053 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC2(CC2)CC1 ZINC000366688759 263129202 /nfs/dbraw/zinc/12/92/02/263129202.db2.gz SIAWRAAMZZCIGA-CQSZACIVSA-N 0 3 262.397 2.452 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)CCCC#N)CCN1Cc1ccccc1 ZINC000292431634 263132140 /nfs/dbraw/zinc/13/21/40/263132140.db2.gz USEYVKDNMCSMNL-ZBFHGGJFSA-N 0 3 285.391 2.459 20 30 CEEDHN C=CCOc1cccc(CN[C@@H]2CNCCC2(F)F)c1 ZINC000414995610 263191918 /nfs/dbraw/zinc/19/19/18/263191918.db2.gz FUEGKLCOMLQUBM-CQSZACIVSA-N 0 3 282.334 2.338 20 30 CEEDHN C[C@@H](CCC#N)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000298046929 263214462 /nfs/dbraw/zinc/21/44/62/263214462.db2.gz DSYNAMOZBGDNJO-JSGCOSHPSA-N 0 3 270.336 2.099 20 30 CEEDHN N#CC1(CNC(=O)CCN2CCc3ccccc3C2)CCC1 ZINC000416349387 263700674 /nfs/dbraw/zinc/70/06/74/263700674.db2.gz YICFLJQJRCMMNT-UHFFFAOYSA-N 0 3 297.402 2.245 20 30 CEEDHN CCOC(=O)c1cc(CN[C@@H]2CC[C@H](C#N)C2)[nH]c1C ZINC000425348546 264022572 /nfs/dbraw/zinc/02/25/72/264022572.db2.gz FOCWMMMAQKYWMT-NWDGAFQWSA-N 0 3 275.352 2.282 20 30 CEEDHN CC(C)C(=O)NC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000330841461 264065049 /nfs/dbraw/zinc/06/50/49/264065049.db2.gz MJCWIHANYYORRI-UHFFFAOYSA-N 0 3 299.418 2.489 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)C[C@H]1CC=CCC1 ZINC000330851323 264068116 /nfs/dbraw/zinc/06/81/16/264068116.db2.gz QBMAEQJWFIYVKE-HOCLYGCPSA-N 0 3 277.412 2.329 20 30 CEEDHN COc1cc(OC)cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000330919531 264093000 /nfs/dbraw/zinc/09/30/00/264093000.db2.gz YQBRIHHDTNVBRR-DGCLKSJQSA-N 0 3 292.379 2.491 20 30 CEEDHN CCn1cc(C(=O)NCCN2CCCC(C)(C)C2)cn1 ZINC000331009080 264107128 /nfs/dbraw/zinc/10/71/28/264107128.db2.gz YSACVTWCICLRDJ-UHFFFAOYSA-N 0 3 278.400 2.330 20 30 CEEDHN Cc1nccc(NC(=O)N(CCN(C)C)C2CCCC2)n1 ZINC000331178284 264154575 /nfs/dbraw/zinc/15/45/75/264154575.db2.gz QNXUHPQTFWOATN-UHFFFAOYSA-N 0 3 291.399 2.137 20 30 CEEDHN Cc1ccc(C(=O)NC[C@@H]2CCCCN2CCO)cc1F ZINC000331303647 264200054 /nfs/dbraw/zinc/20/00/54/264200054.db2.gz FPJCIWVYZNOHDR-AWEZNQCLSA-N 0 3 294.370 2.286 20 30 CEEDHN N#CCCCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000331345959 264204835 /nfs/dbraw/zinc/20/48/35/264204835.db2.gz VTMWBFVWAPHBMB-AWEZNQCLSA-N 0 3 263.385 2.203 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000189011179 264268354 /nfs/dbraw/zinc/26/83/54/264268354.db2.gz OFCFODNQKURTKT-OFQRWUPVSA-N 0 3 282.428 2.156 20 30 CEEDHN N#CC1(CN2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425503343 264363956 /nfs/dbraw/zinc/36/39/56/264363956.db2.gz SAAMKFACUKYADF-DLBZAZTESA-N 0 3 281.403 2.496 20 30 CEEDHN N#Cc1ccccc1OCCN1CC[C@H](CCCO)C1 ZINC000452121902 269986452 /nfs/dbraw/zinc/98/64/52/269986452.db2.gz HBWSSYYEOAPFMO-AWEZNQCLSA-N 0 3 274.364 2.031 20 30 CEEDHN C=CCc1cc(CN2CC[C@](C)(O)C2)cc(OC)c1O ZINC000180189076 264392768 /nfs/dbraw/zinc/39/27/68/264392768.db2.gz APLDFZLSLCAHJI-INIZCTEOSA-N 0 3 277.364 2.086 20 30 CEEDHN C#CCCN1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000280552664 264453675 /nfs/dbraw/zinc/45/36/75/264453675.db2.gz QOJZNGQVRNKKSO-UHFFFAOYSA-N 0 3 257.377 2.388 20 30 CEEDHN C=CCN[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000283956478 264522475 /nfs/dbraw/zinc/52/24/75/264522475.db2.gz HUMFMIPEYAFKCV-KBPBESRZSA-N 0 3 252.308 2.486 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc2nc(C)ccc2c1 ZINC000294046464 265005682 /nfs/dbraw/zinc/00/56/82/265005682.db2.gz TTXOUFRZBQVRAG-UHFFFAOYSA-N 0 3 295.386 2.228 20 30 CEEDHN CC(C#N)C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000356468506 266119792 /nfs/dbraw/zinc/11/97/92/266119792.db2.gz YYJTYJORQDVDDF-NSHDSACASA-N 0 3 260.312 2.424 20 30 CEEDHN COc1c(CNC(=O)C(C)C#N)oc2ccccc21 ZINC000356631834 266150998 /nfs/dbraw/zinc/15/09/98/266150998.db2.gz ZJKKMJDZOXGWKA-VIFPVBQESA-N 0 3 258.277 2.217 20 30 CEEDHN CC[C@]1(CNC(=O)C(C)C#N)OCCc2ccccc21 ZINC000356686411 266159198 /nfs/dbraw/zinc/15/91/98/266159198.db2.gz UXGCIAZSDNIFNT-BLLLJJGKSA-N 0 3 272.348 2.140 20 30 CEEDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)C(C)C#N ZINC000356749354 266168053 /nfs/dbraw/zinc/16/80/53/266168053.db2.gz OUONTUGVIMXWOW-BREBYQMCSA-N 0 3 264.300 2.178 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@H](C)C1CCC1 ZINC000357029614 266234740 /nfs/dbraw/zinc/23/47/40/266234740.db2.gz DGPSDRFPZAJGON-QWHCGFSZSA-N 0 3 265.401 2.115 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000357791108 266363571 /nfs/dbraw/zinc/36/35/71/266363571.db2.gz FTMDKBSXACDLTI-SWLSCSKDSA-N 0 3 265.316 2.447 20 30 CEEDHN CC(C)C(=O)Nc1ccc(CNC(=O)C(C)C#N)cc1 ZINC000357809523 266369232 /nfs/dbraw/zinc/36/92/32/266369232.db2.gz WQFCZHJCBARBQC-LLVKDONJSA-N 0 3 273.336 2.057 20 30 CEEDHN C=CCN(CCC#N)C(=O)c1ccccc1CN(C)C ZINC000359430437 266583602 /nfs/dbraw/zinc/58/36/02/266583602.db2.gz UKGZREXXSZVRIF-UHFFFAOYSA-N 0 3 271.364 2.290 20 30 CEEDHN CC(C)[C@H](C(=O)NCC(C)(C)CCC#N)N(C)C ZINC000360411034 266713885 /nfs/dbraw/zinc/71/38/85/266713885.db2.gz MYCOOVMGMZFWEW-GFCCVEGCSA-N 0 3 253.390 2.019 20 30 CEEDHN C=CCOCC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000362573444 267009435 /nfs/dbraw/zinc/00/94/35/267009435.db2.gz SMCBXMATRJPJAB-UHFFFAOYSA-N 0 3 288.269 2.305 20 30 CEEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H]1CN(C)C(=O)O1 ZINC000496570301 267016511 /nfs/dbraw/zinc/01/65/11/267016511.db2.gz KCYDODHAFRKYKB-HNNXBMFYSA-N 0 3 287.363 2.221 20 30 CEEDHN CCCN1C[C@@H](CNCc2ccc(C#N)cc2F)CC1=O ZINC000421352212 267019480 /nfs/dbraw/zinc/01/94/80/267019480.db2.gz NNWPMIUMPXJAHZ-CYBMUJFWSA-N 0 3 289.354 2.045 20 30 CEEDHN CCN(CC)[C@@H](CNc1cncc(C#N)n1)c1ccco1 ZINC000420591042 267061712 /nfs/dbraw/zinc/06/17/12/267061712.db2.gz XUEUZSNILCPWSI-ZDUSSCGKSA-N 0 3 285.351 2.436 20 30 CEEDHN CCN(C[C@@H]1CN(C)C(=O)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000496955912 267068455 /nfs/dbraw/zinc/06/84/55/267068455.db2.gz JNNKDJFMKHPDOV-WFASDCNBSA-N 0 3 287.363 2.392 20 30 CEEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(C)c2)[C@H]1OC ZINC000446759560 267152642 /nfs/dbraw/zinc/15/26/42/267152642.db2.gz GTWXCTLFQFNLDL-ARFHVFGLSA-N 0 3 274.364 2.149 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000368588833 267189106 /nfs/dbraw/zinc/18/91/06/267189106.db2.gz HDRKNIOARJODIB-DZGCQCFKSA-N 0 3 262.397 2.307 20 30 CEEDHN C=C(C)CN1CC[C@H](OCc2c(C)noc2C)C1 ZINC000368870905 267210766 /nfs/dbraw/zinc/21/07/66/267210766.db2.gz UYMFHPDXBRSWIR-ZDUSSCGKSA-N 0 3 250.342 2.458 20 30 CEEDHN CC[C@]1(CO)CCCN1Cc1cccc(C#N)c1F ZINC000439300129 267241024 /nfs/dbraw/zinc/24/10/24/267241024.db2.gz YBCDAWYDBIKYNJ-OAHLLOKOSA-N 0 3 262.328 2.434 20 30 CEEDHN CCc1cc(N2CCN(c3cccc(C#N)n3)CC2)ccn1 ZINC000450435422 267246729 /nfs/dbraw/zinc/24/67/29/267246729.db2.gz DSVROMUROXIPAS-UHFFFAOYSA-N 0 3 293.374 2.237 20 30 CEEDHN CN1CC[C@H](CNC(=O)C(C)(C)C#N)[C@@H]1c1cccs1 ZINC000369569021 267251460 /nfs/dbraw/zinc/25/14/60/267251460.db2.gz MUWZSRPPFKJAPI-DGCLKSJQSA-N 0 3 291.420 2.407 20 30 CEEDHN C#CC[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000369863241 267272037 /nfs/dbraw/zinc/27/20/37/267272037.db2.gz VSUSXUANEAQUDN-JQFCIGGWSA-N 0 3 299.418 2.315 20 30 CEEDHN CN(C)[C@@H](CNc1cncc(C#N)n1)c1cccs1 ZINC000420585175 267286483 /nfs/dbraw/zinc/28/64/83/267286483.db2.gz NHGPTUFMDAOKFJ-NSHDSACASA-N 0 3 273.365 2.125 20 30 CEEDHN CN(CC(=O)NCc1ccc(C#N)cc1)C1CC(C)(C)C1 ZINC000459746793 267297454 /nfs/dbraw/zinc/29/74/54/267297454.db2.gz VDARNYYUOVUVGU-UHFFFAOYSA-N 0 3 285.391 2.295 20 30 CEEDHN C#CCCN1CCN(Cc2cccc(-n3cccn3)c2)CC1 ZINC000370397415 267317066 /nfs/dbraw/zinc/31/70/66/267317066.db2.gz NGQKDHXIWZLQTA-UHFFFAOYSA-N 0 3 294.402 2.013 20 30 CEEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000119336224 267322701 /nfs/dbraw/zinc/32/27/01/267322701.db2.gz AHWHPQOZRZJUNW-MNOVXSKESA-N 0 3 268.382 2.283 20 30 CEEDHN CN1CC[C@@H](Nc2cc(C#N)ncn2)[C@H]1c1ccccc1 ZINC000516897623 267339900 /nfs/dbraw/zinc/33/99/00/267339900.db2.gz BMCUHWILBKXEIF-GDBMZVCRSA-N 0 3 279.347 2.206 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)c2ccc(C#N)o2)N(C)C)cc1 ZINC000429804012 268046168 /nfs/dbraw/zinc/04/61/68/268046168.db2.gz OBZYZUBRHKAWTD-HNNXBMFYSA-N 0 3 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/nfs/dbraw/zinc/26/50/60/274265060.db2.gz XJQRDJXLQRZQLK-OAHLLOKOSA-N 0 3 287.407 2.231 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000348437766 275431887 /nfs/dbraw/zinc/43/18/87/275431887.db2.gz FPGQTWUMDKLHTH-KKUMJFAQSA-N 0 3 294.439 2.395 20 30 CEEDHN CN(C)[C@@H](CNc1ccc(C#N)nn1)c1ccc(F)cc1 ZINC000301818950 276827764 /nfs/dbraw/zinc/82/77/64/276827764.db2.gz AIKPHTQZCIIJLL-AWEZNQCLSA-N 0 3 285.326 2.202 20 30 CEEDHN CN1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1c1ccccc1 ZINC000245727465 277136839 /nfs/dbraw/zinc/13/68/39/277136839.db2.gz HAUVRCQTYZGAQW-HZPDHXFCSA-N 0 3 294.358 2.062 20 30 CEEDHN CN1CC[C@@H]2CCN(c3ccc(C#N)cc3F)[C@H]2C1 ZINC000272226700 277146699 /nfs/dbraw/zinc/14/66/99/277146699.db2.gz TUGQCVHHKMQKEK-DOMZBBRYSA-N 0 3 259.328 2.228 20 30 CEEDHN CN1CC[C@H]2CCN(c3ccc(C#N)cc3F)C[C@H]21 ZINC000375051517 277177928 /nfs/dbraw/zinc/17/79/28/277177928.db2.gz WGTBOLCVEWRACG-SWLSCSKDSA-N 0 3 259.328 2.228 20 30 CEEDHN COCCOC[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353251159 277538591 /nfs/dbraw/zinc/53/85/91/277538591.db2.gz HNBPYBZXPPICCN-LRDDRELGSA-N 0 3 274.364 2.187 20 30 CEEDHN C[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)N1CCCCCC1 ZINC000331608778 277554000 /nfs/dbraw/zinc/55/40/00/277554000.db2.gz VTJHXBUBFAFGLX-MELADBBJSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@H](CCN[C@@H]1CCC[C@@H]1C#N)N[C@H]1CCC[C@@H]1C#N ZINC000332269448 278174003 /nfs/dbraw/zinc/17/40/03/278174003.db2.gz CDVRPFNUGRWVQX-QCODTGAPSA-N 0 3 274.412 2.329 20 30 CEEDHN CC[C@H](c1ccncc1)N(C)CCC(=O)N(C)CCC#N ZINC000092808102 288170462 /nfs/dbraw/zinc/17/04/62/288170462.db2.gz IBKXUFQVWOSNOR-OAHLLOKOSA-N 0 3 288.395 2.227 20 30 CEEDHN CC[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(C#N)cc1 ZINC000278197039 280945848 /nfs/dbraw/zinc/94/58/48/280945848.db2.gz GBRGLLWVBIXRDC-HIFRSBDPSA-N 0 3 292.404 2.034 20 30 CEEDHN CC[C@H](O)CN1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000174070558 280999997 /nfs/dbraw/zinc/99/99/97/280999997.db2.gz USKPCHFWACUOMK-YOEHRIQHSA-N 0 3 287.407 2.008 20 30 CEEDHN CN1CC[C@H]2CCN(c3cccc(F)c3C#N)[C@@H]2C1 ZINC000272182033 290234253 /nfs/dbraw/zinc/23/42/53/290234253.db2.gz KKDFHIDXJVMEGU-XHDPSFHLSA-N 0 3 259.328 2.228 20 30 CEEDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccc(F)c1C#N ZINC000249542503 297100049 /nfs/dbraw/zinc/10/00/49/297100049.db2.gz FHTFQTRGIAKAAC-NEPJUHHUSA-N 0 3 287.338 2.006 20 30 CEEDHN C[C@H](NCCOC[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000539495033 298248857 /nfs/dbraw/zinc/24/88/57/298248857.db2.gz BUQLTNFXKGSQPO-BBRMVZONSA-N 0 3 274.364 2.404 20 30 CEEDHN CCOC(=O)C1(CNCc2ccc(C#N)cc2)CCC1 ZINC000542482871 298290642 /nfs/dbraw/zinc/29/06/42/298290642.db2.gz DXMWXDUEJGTRFM-UHFFFAOYSA-N 0 3 272.348 2.381 20 30 CEEDHN COC1(CNCc2cnc3c(C#N)cnn3c2)CCCCC1 ZINC000575749099 314218990 /nfs/dbraw/zinc/21/89/90/314218990.db2.gz MDEYAWGEUPAHDQ-UHFFFAOYSA-N 0 3 299.378 2.040 20 30 CEEDHN CN(CCC(=O)NCc1cccc(C#N)c1)c1ccncc1 ZINC000576490867 314281443 /nfs/dbraw/zinc/28/14/43/314281443.db2.gz JCITZUZCSAOFIK-UHFFFAOYSA-N 0 3 294.358 2.096 20 30 CEEDHN CC(=O)N1CC(N[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000577296113 314362368 /nfs/dbraw/zinc/36/23/68/314362368.db2.gz WYQOMBNAVBJEFZ-KRWDZBQOSA-N 0 3 283.375 2.146 20 30 CEEDHN N#CC(C(=O)c1cccc2[nH]c(=O)oc21)c1ccccn1 ZINC000152260972 328083177 /nfs/dbraw/zinc/08/31/77/328083177.db2.gz ARIAYGKIXDIOCP-JTQLQIEISA-N 0 3 279.255 2.006 20 30 CEEDHN C=CCOc1ccc(CN(C)[C@@H](CO)COC(C)C)cc1 ZINC000571208680 328093315 /nfs/dbraw/zinc/09/33/15/328093315.db2.gz YZYXMIZHWWXDKV-INIZCTEOSA-N 0 3 293.407 2.469 20 30 CEEDHN COC(=O)[C@]1(c2ccccc2)CCN([C@@H](C)CCC#N)C1 ZINC000411764472 328099328 /nfs/dbraw/zinc/09/93/28/328099328.db2.gz YGAZSSCBNKTUCM-WMLDXEAASA-N 0 3 286.375 2.495 20 30 CEEDHN C=CCCCON=C(N)c1ccc(CN(C)C)cc1 ZINC000267036142 328172018 /nfs/dbraw/zinc/17/20/18/328172018.db2.gz XGCNPYCZDKLWBM-UHFFFAOYSA-N 0 3 261.369 2.351 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000172947643 329140988 /nfs/dbraw/zinc/14/09/88/329140988.db2.gz DNZISLYJWHYYLL-MCIONIFRSA-N 0 3 262.397 2.163 20 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CEEDHN C#CCN(C)CCCNC(=O)c1ccc(Cl)cc1C ZINC000294057188 327202259 /nfs/dbraw/zinc/20/22/59/327202259.db2.gz URWLCLDIEDBIBI-UHFFFAOYSA-N 0 3 278.783 2.333 20 30 CEEDHN CC(C#N)C(=O)NCCCCOCc1ccccc1 ZINC000347032821 327274713 /nfs/dbraw/zinc/27/47/13/327274713.db2.gz GWNKIYJLJVTSQM-ZDUSSCGKSA-N 0 3 260.337 2.259 20 30 CEEDHN C[C@H]1CSC[C@@H]1NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000560487990 327314228 /nfs/dbraw/zinc/31/42/28/327314228.db2.gz FHCKFOJPIBAQHI-STQMWFEESA-N 0 3 295.452 2.012 20 30 CEEDHN C#C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000300849740 332836273 /nfs/dbraw/zinc/83/62/73/332836273.db2.gz FDABMSRGIHNGLM-QWHCGFSZSA-N 0 3 266.385 2.243 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000377755546 329027987 /nfs/dbraw/zinc/02/79/87/329027987.db2.gz HWXHCUVNHICPOA-DOMZBBRYSA-N 0 3 283.391 2.207 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@@H](c2noc(CC)n2)C1 ZINC000378158328 329041824 /nfs/dbraw/zinc/04/18/24/329041824.db2.gz CYJCNWJDOIVHSN-CHWSQXEVSA-N 0 3 279.384 2.139 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)CC)CC1 ZINC000171739711 329079851 /nfs/dbraw/zinc/07/98/51/329079851.db2.gz NWTKIHRVNISTJF-GFCCVEGCSA-N 0 3 253.390 2.077 20 30 CEEDHN O[C@@H](CNCC#Cc1ccccc1)COCc1ccccc1 ZINC000582660251 329120688 /nfs/dbraw/zinc/12/06/88/329120688.db2.gz CLPMGMVHJFNXIE-IBGZPJMESA-N 0 3 295.382 2.205 20 30 CEEDHN C=CCCCCN1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000582706968 329132761 /nfs/dbraw/zinc/13/27/61/329132761.db2.gz XCSGHWODHICZDX-UHFFFAOYSA-N 0 3 289.427 2.021 20 30 CEEDHN CCS[C@H]1CC[C@H](N(C)CC(=O)N(CC)CCC#N)C1 ZINC000174349528 329157553 /nfs/dbraw/zinc/15/75/53/329157553.db2.gz VZMVEHMYWJAXCG-KBPBESRZSA-N 0 3 297.468 2.355 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000176015499 329173385 /nfs/dbraw/zinc/17/33/85/329173385.db2.gz MHXRBYAHWIVETJ-LSDHHAIUSA-N 0 3 262.397 2.189 20 30 CEEDHN Fc1ccc(C#CCN2CCCN(C3CC3)CC2)cc1 ZINC000178926107 329203023 /nfs/dbraw/zinc/20/30/23/329203023.db2.gz AMLGXGFMKCYMMH-UHFFFAOYSA-N 0 3 272.367 2.347 20 30 CEEDHN C[C@H]1Cc2ccccc2CN1CCC(=O)N(C)CCC#N ZINC000179354891 329204543 /nfs/dbraw/zinc/20/45/43/329204543.db2.gz HXMLBZVFGOJCEK-AWEZNQCLSA-N 0 3 285.391 2.195 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000179786730 329212176 /nfs/dbraw/zinc/21/21/76/329212176.db2.gz KCCVOQXUOYWNAR-HOCLYGCPSA-N 0 3 294.439 2.491 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000179786742 329212230 /nfs/dbraw/zinc/21/22/30/329212230.db2.gz KCCVOQXUOYWNAR-ZBFHGGJFSA-N 0 3 294.439 2.491 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000181099294 329225978 /nfs/dbraw/zinc/22/59/78/329225978.db2.gz DYJOPOBQLYIHRV-LSDHHAIUSA-N 0 3 277.412 2.387 20 30 CEEDHN C=CC[C@H](C)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185929521 329332865 /nfs/dbraw/zinc/33/28/65/329332865.db2.gz MZTUMHDELSEXPW-GWCFXTLKSA-N 0 3 266.772 2.291 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2cccc(N3CCC3=O)c2)C1 ZINC000571743744 329919198 /nfs/dbraw/zinc/91/91/98/329919198.db2.gz ILSGBEHNZAQCKH-JSGCOSHPSA-N 0 3 269.348 2.205 20 30 CEEDHN N=C(NCc1noc(C2CC2)n1)Nc1cc(F)ccc1F ZINC000262285869 330004382 /nfs/dbraw/zinc/00/43/82/330004382.db2.gz MIXHFLZXHDRMAQ-UHFFFAOYSA-N 0 3 293.277 2.152 20 30 CEEDHN CC(C)c1nnc(CNC(=N)Nc2cc(F)ccc2F)[nH]1 ZINC000263214312 330049377 /nfs/dbraw/zinc/04/93/77/330049377.db2.gz ZPRZXOZGCJTIBN-UHFFFAOYSA-N 0 3 294.309 2.133 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000421768220 330077184 /nfs/dbraw/zinc/07/71/84/330077184.db2.gz NFHGPCBNFGSFCS-CZUORRHYSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCC[C@@H](C)Nc1ccc(N2CCNCC2)cn1 ZINC000423230426 330180782 /nfs/dbraw/zinc/18/07/82/330180782.db2.gz JGQXEKDPDBCFIP-CYBMUJFWSA-N 0 3 260.385 2.258 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1occc1N)C(C)C ZINC000423350533 330192749 /nfs/dbraw/zinc/19/27/49/330192749.db2.gz XSQAWJXJYKTJSO-CQSZACIVSA-N 0 3 291.395 2.290 20 30 CEEDHN C=CCOc1cccc(CNC[C@H]2CCCC(=O)N2)c1 ZINC000433200531 330212438 /nfs/dbraw/zinc/21/24/38/330212438.db2.gz IHTNTULTIMLKIU-CQSZACIVSA-N 0 3 274.364 2.010 20 30 CEEDHN CCN(Cc1cccc(F)c1)C(=O)[C@H](N)CCCC#N ZINC000424061290 330218930 /nfs/dbraw/zinc/21/89/30/330218930.db2.gz DUPWNSLEIVSFMU-CQSZACIVSA-N 0 3 277.343 2.195 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000424071156 330220038 /nfs/dbraw/zinc/22/00/38/330220038.db2.gz UJHYVCVEVYBNJI-CVEARBPZSA-N 0 3 285.391 2.241 20 30 CEEDHN CN(C(=O)[C@H](N)CCCC#N)[C@H]1CCc2ccccc21 ZINC000424070725 330220048 /nfs/dbraw/zinc/22/00/48/330220048.db2.gz STFASWWKVXSLHV-CABCVRRESA-N 0 3 271.364 2.153 20 30 CEEDHN CCN(C(=O)[C@@H](N)CCCC#N)c1ccc(OC)cc1 ZINC000424078213 330221334 /nfs/dbraw/zinc/22/13/34/330221334.db2.gz DNNRROGIHRMQTN-AWEZNQCLSA-N 0 3 275.352 2.069 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000424081344 330221973 /nfs/dbraw/zinc/22/19/73/330221973.db2.gz VGYUKMZKOPBLKL-ZDUSSCGKSA-N 0 3 272.352 2.004 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000424090238 330224972 /nfs/dbraw/zinc/22/49/72/330224972.db2.gz XEWPFIMXWVXTHJ-NSHDSACASA-N 0 3 269.707 2.439 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000424096687 330227463 /nfs/dbraw/zinc/22/74/63/330227463.db2.gz CROWNFCKBKJSIK-KGLIPLIRSA-N 0 3 291.782 2.465 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000424096682 330227560 /nfs/dbraw/zinc/22/75/60/330227560.db2.gz CROWNFCKBKJSIK-KBPBESRZSA-N 0 3 291.782 2.465 20 30 CEEDHN CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424110039 330237407 /nfs/dbraw/zinc/23/74/07/330237407.db2.gz BUSLTGSCZPGBMO-RDBSUJKOSA-N 0 3 265.401 2.483 20 30 CEEDHN CCOc1cc(C)ccc1CNC(=O)[C@@H](N)CCCC#N ZINC000424120633 330249362 /nfs/dbraw/zinc/24/93/62/330249362.db2.gz GOUKTTBUCGPALD-AWEZNQCLSA-N 0 3 289.379 2.031 20 30 CEEDHN CCOC(=O)C1(C)CCC(NC[C@@H](C)C#N)CC1 ZINC000527526608 330257537 /nfs/dbraw/zinc/25/75/37/330257537.db2.gz UWWCKFSANWOYBT-DCBWTQNWSA-N 0 3 252.358 2.248 20 30 CEEDHN Cn1ccnc1-c1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424125884 330258899 /nfs/dbraw/zinc/25/88/99/330258899.db2.gz AUEGGNQLHPVTMO-AWEZNQCLSA-N 0 3 297.362 2.047 20 30 CEEDHN CC(C)CC1(CNC(=O)[C@H](N)CCCC#N)CCC1 ZINC000424128381 330259620 /nfs/dbraw/zinc/25/96/20/330259620.db2.gz QYFXXVCKEOAOGG-CYBMUJFWSA-N 0 3 265.401 2.340 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000424142751 330285484 /nfs/dbraw/zinc/28/54/84/330285484.db2.gz DZEYTRIJVIGUPR-NEPJUHHUSA-N 0 3 292.408 2.218 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1cccc2ncccc21 ZINC000424145949 330292126 /nfs/dbraw/zinc/29/21/26/330292126.db2.gz ZXVPASROMNASFB-LBPRGKRZSA-N 0 3 268.320 2.194 20 30 CEEDHN CC(C)N(C)c1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424149662 330295722 /nfs/dbraw/zinc/29/57/22/330295722.db2.gz XBRCSDKOCIFHMM-OAHLLOKOSA-N 0 3 288.395 2.491 20 30 CEEDHN C[C@]1(CN[C@@H]2CC[C@H](C#N)C2)COc2ccccc2O1 ZINC000527925985 330296655 /nfs/dbraw/zinc/29/66/55/330296655.db2.gz CNCKYOFNQOFCOT-ZENOOKHLSA-N 0 3 272.348 2.498 20 30 CEEDHN C#CCN(C)CCCNC(=O)C(C)(C)C(C)(C)C ZINC000328055616 330304317 /nfs/dbraw/zinc/30/43/17/330304317.db2.gz ALIUVICGSYFASY-UHFFFAOYSA-N 0 3 252.402 2.130 20 30 CEEDHN Cc1nn(-c2ccccc2)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424165634 330309262 /nfs/dbraw/zinc/30/92/62/330309262.db2.gz FCUAWSDLZMTXLK-AWEZNQCLSA-N 0 3 297.362 2.140 20 30 CEEDHN CC1(C)CCCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424171435 330311655 /nfs/dbraw/zinc/31/16/55/330311655.db2.gz KSYKAKXTBMGPJR-LBPRGKRZSA-N 0 3 251.374 2.046 20 30 CEEDHN Cc1cc(CNC(=O)[C@H](N)CCCC#N)ccc1Cl ZINC000424171834 330311819 /nfs/dbraw/zinc/31/18/19/330311819.db2.gz JSHDIIAROGQNJR-CYBMUJFWSA-N 0 3 279.771 2.286 20 30 CEEDHN CC(C)[C@H](C)N(C(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000424192502 330323821 /nfs/dbraw/zinc/32/38/21/330323821.db2.gz PBJXGYAHBAPZOI-AAEUAGOBSA-N 0 3 251.374 2.043 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2cc(-c3cccnc3)n[nH]2)C1 ZINC000424202958 330327092 /nfs/dbraw/zinc/32/70/92/330327092.db2.gz UAIVSJRGTXKNMH-YPMHNXCESA-N 0 3 267.336 2.254 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000424212491 330328707 /nfs/dbraw/zinc/32/87/07/330328707.db2.gz PJZZSTAGYCUPPI-SYAUCNOPSA-N 0 3 288.391 2.030 20 30 CEEDHN C=CCn1cc(CN[C@@H]2CCC[C@H]2CCCF)nn1 ZINC000424292797 330335255 /nfs/dbraw/zinc/33/52/55/330335255.db2.gz HJTPYOHRZVMVJI-GXTWGEPZSA-N 0 3 266.364 2.472 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)c1ccn(C)n1 ZINC000436308333 330675132 /nfs/dbraw/zinc/67/51/32/330675132.db2.gz MLQRQALNZADQOK-YDHLFZDLSA-N 0 3 263.385 2.442 20 30 CEEDHN COC(=O)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000442833509 330785988 /nfs/dbraw/zinc/78/59/88/330785988.db2.gz BVOUYQBSZBXWOB-WCQYABFASA-N 0 3 288.347 2.264 20 30 CEEDHN C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)C(=O)N1Cc2ccccc2C1 ZINC000442848848 330786787 /nfs/dbraw/zinc/78/67/87/330786787.db2.gz AXNGNENDPAQUGQ-XJKCOSOUSA-N 0 3 283.375 2.199 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)[C@@]2(C#N)C[C@@H]2C)N(C)C)cc1 ZINC000448809362 330884403 /nfs/dbraw/zinc/88/44/03/330884403.db2.gz FQTVYBKUGMDPHF-JLJPHGGASA-N 0 3 285.391 2.264 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(OCC)n1 ZINC000449548820 330935777 /nfs/dbraw/zinc/93/57/77/330935777.db2.gz QXPWSTROKZXVRG-KGLIPLIRSA-N 0 3 262.353 2.304 20 30 CEEDHN C=CCC[C@H](CO)NCc1cn(C(C)C)nc1C ZINC000449699119 330944707 /nfs/dbraw/zinc/94/47/07/330944707.db2.gz PWFYPWHVIDIIEQ-CQSZACIVSA-N 0 3 251.374 2.189 20 30 CEEDHN C=C(C)CN(Cc1ccccc1)C[C@@H]1COCCO1 ZINC000450886948 331004794 /nfs/dbraw/zinc/00/47/94/331004794.db2.gz HBFOHZRHDYWAPB-MRXNPFEDSA-N 0 3 261.365 2.480 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C2CC(OC(C)(C)C)C2)C1=O ZINC000450909687 331006622 /nfs/dbraw/zinc/00/66/22/331006622.db2.gz TXNGGDYSUIFHSG-JXQTWKCFSA-N 0 3 280.412 2.051 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000451600969 331035900 /nfs/dbraw/zinc/03/59/00/331035900.db2.gz STNVWIKWLSUAKG-BMFZPTHFSA-N 0 3 288.391 2.361 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000451608720 331036694 /nfs/dbraw/zinc/03/66/94/331036694.db2.gz TYYYCUMQFSWPIB-HONMWMINSA-N 0 3 278.327 2.086 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000451679351 331038753 /nfs/dbraw/zinc/03/87/53/331038753.db2.gz JQPHIFBBIUJBLO-BARDWOONSA-N 0 3 280.412 2.099 20 30 CEEDHN C=CCCCN1C[C@@H](C(=O)OC)N(CCCC=C)C[C@@H]1C ZINC000451695677 331039402 /nfs/dbraw/zinc/03/94/02/331039402.db2.gz FBSZHGOCMLUXTQ-HOTGVXAUSA-N 0 3 294.439 2.467 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](O)CC(C)(C)C1 ZINC000451806162 331043010 /nfs/dbraw/zinc/04/30/10/331043010.db2.gz WMTCPKFCSFYQRT-GJZGRUSLSA-N 0 3 296.455 2.282 20 30 CEEDHN C=CCN1CC[C@H](N[C@@H](C)c2cccc(C)c2)C1=O ZINC000452081046 331053226 /nfs/dbraw/zinc/05/32/26/331053226.db2.gz HUCPVJYLHBNZEV-ZFWWWQNUSA-N 0 3 258.365 2.433 20 30 CEEDHN C=C(CC)CNC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000454496831 331147403 /nfs/dbraw/zinc/14/74/03/331147403.db2.gz CLOJXSSNPDDYJF-KBPBESRZSA-N 0 3 267.417 2.372 20 30 CEEDHN C=C(C)CCNC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000454520472 331147874 /nfs/dbraw/zinc/14/78/74/331147874.db2.gz XIBQLKXWYGWAPH-ZIAGYGMSSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CC(C)(C)CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000454670182 331150858 /nfs/dbraw/zinc/15/08/58/331150858.db2.gz SIWINCDTYKOYTM-NEPJUHHUSA-N 0 3 265.401 2.123 20 30 CEEDHN C=C(C)CCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000454864950 331155211 /nfs/dbraw/zinc/15/52/11/331155211.db2.gz RJXSBQZTZPQBDB-AWEZNQCLSA-N 0 3 265.401 2.269 20 30 CEEDHN C=C(CC)CNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000454881007 331155556 /nfs/dbraw/zinc/15/55/56/331155556.db2.gz YGLFUKKBXLKYAA-ZDUSSCGKSA-N 0 3 267.417 2.372 20 30 CEEDHN C=C(CC)CNC(=O)NCC1(SC)CCN(C)CC1 ZINC000454972954 331157998 /nfs/dbraw/zinc/15/79/98/331157998.db2.gz NKCDOQUKZAZUTF-UHFFFAOYSA-N 0 3 285.457 2.079 20 30 CEEDHN C=CCN(C)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000455201665 331162703 /nfs/dbraw/zinc/16/27/03/331162703.db2.gz XNGSBVWZTPQEPJ-AWEZNQCLSA-N 0 3 267.417 2.324 20 30 CEEDHN C=C(C)CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000456122554 331185003 /nfs/dbraw/zinc/18/50/03/331185003.db2.gz OESCJZMHKUOALG-UHFFFAOYSA-N 0 3 280.412 2.104 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H](C)CC(F)(F)F)CC1 ZINC000457541541 331226392 /nfs/dbraw/zinc/22/63/92/331226392.db2.gz KTRMBTQTUGKYHM-JTQLQIEISA-N 0 3 278.318 2.342 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H](C)C2CCC2)CC1 ZINC000457549284 331226679 /nfs/dbraw/zinc/22/66/79/331226679.db2.gz ZPXSNBDGXQUSMN-LBPRGKRZSA-N 0 3 250.386 2.189 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)NCC(C)(C)CC#N ZINC000458344619 331249552 /nfs/dbraw/zinc/24/95/52/331249552.db2.gz QFGLOKQNEVKJJH-KBPBESRZSA-N 0 3 294.443 2.488 20 30 CEEDHN C=CCCCNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458733251 331258286 /nfs/dbraw/zinc/25/82/86/331258286.db2.gz SRRSFBLDBUQEIY-CYBMUJFWSA-N 0 3 253.390 2.077 20 30 CEEDHN CC#CCN(C)C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000458785079 331259854 /nfs/dbraw/zinc/25/98/54/331259854.db2.gz YPPMEKUBHNQHPG-KGLIPLIRSA-N 0 3 291.395 2.374 20 30 CEEDHN C=CCC(C)(C)CNC(=O)NC(C)(C)CN(C)C ZINC000458806941 331260453 /nfs/dbraw/zinc/26/04/53/331260453.db2.gz FASSSKDOEDCDME-UHFFFAOYSA-N 0 3 255.406 2.228 20 30 CEEDHN C=C(CC)CNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000459071554 331269172 /nfs/dbraw/zinc/26/91/72/331269172.db2.gz HJVCXHUIMOXXSX-ZDUSSCGKSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1C[C@H](OC)C12CCC2 ZINC000459748060 331298014 /nfs/dbraw/zinc/29/80/14/331298014.db2.gz GGSGWIJQRIFTCR-ZNMIVQPWSA-N 0 3 292.423 2.123 20 30 CEEDHN C=CCCCCCN1CCC(N(C)S(C)(=O)=O)CC1 ZINC000488231745 331995125 /nfs/dbraw/zinc/99/51/25/331995125.db2.gz OAFJYIRBEMGUNB-UHFFFAOYSA-N 0 3 288.457 2.089 20 30 CEEDHN C=C(CC)CN1CCN(C2CCOCC2)C[C@H]1C ZINC000488672601 332021246 /nfs/dbraw/zinc/02/12/46/332021246.db2.gz DRNCXLJAUHRKAS-CQSZACIVSA-N 0 3 252.402 2.138 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)C[C@@H]1CCCN1CC ZINC000488736999 332023503 /nfs/dbraw/zinc/02/35/03/332023503.db2.gz WGAAOJAWNVUVTG-AWEZNQCLSA-N 0 3 275.396 2.230 20 30 CEEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1ccccc1 ZINC000489519774 332058233 /nfs/dbraw/zinc/05/82/33/332058233.db2.gz YHLZVDKOJLIAHL-CABCVRRESA-N 0 3 261.365 2.467 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000489928621 332072948 /nfs/dbraw/zinc/07/29/48/332072948.db2.gz VDPDBKWZJICYFT-AWEZNQCLSA-N 0 3 289.423 2.476 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000490635198 332098210 /nfs/dbraw/zinc/09/82/10/332098210.db2.gz FARQFDQWSQJNRO-KSSFIOAISA-N 0 3 296.414 2.381 20 30 CEEDHN C#C[C@@H](CC)NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000490713676 332107493 /nfs/dbraw/zinc/10/74/93/332107493.db2.gz LLDJFPKSRJCCIR-SJORKVTESA-N 0 3 299.418 2.220 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000490739893 332110662 /nfs/dbraw/zinc/11/06/62/332110662.db2.gz LQEMAGXQOCGFLU-CVEARBPZSA-N 0 3 279.343 2.159 20 30 CEEDHN C#CCN(C(=S)NC[C@H]1CCCN1CC)C1CCCC1 ZINC000490832092 332118770 /nfs/dbraw/zinc/11/87/70/332118770.db2.gz ZUNPKKHOBNPQPF-OAHLLOKOSA-N 0 3 293.480 2.223 20 30 CEEDHN C#CCN(CC)CCC(=O)Nc1cccc(F)c1C ZINC000490854224 332121241 /nfs/dbraw/zinc/12/12/41/332121241.db2.gz YNBZFEWKJVKFLF-UHFFFAOYSA-N 0 3 262.328 2.418 20 30 CEEDHN C#CCN(C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000491229763 332170100 /nfs/dbraw/zinc/17/01/00/332170100.db2.gz IZURMMYIFXQPBI-UHFFFAOYSA-N 0 3 299.418 2.447 20 30 CEEDHN C#C[C@H](NC(=O)N1CCN(C2CCC2)C[C@H](C)C1)C(C)C ZINC000491299361 332185327 /nfs/dbraw/zinc/18/53/27/332185327.db2.gz ZHBNXPJQQOQURH-HOCLYGCPSA-N 0 3 291.439 2.160 20 30 CEEDHN C#C[C@H](C)N(C)CCOc1ccc(/C=C/C(=O)OC)cc1 ZINC000491372033 332198831 /nfs/dbraw/zinc/19/88/31/332198831.db2.gz HHMAZUZEOHDHPW-ZHZWZMEUSA-N 0 3 287.359 2.205 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000491440097 332211965 /nfs/dbraw/zinc/21/19/65/332211965.db2.gz NQAFUHJNZNBHBB-OAHLLOKOSA-N 0 3 299.418 2.098 20 30 CEEDHN C#C[C@H](NC(=O)N(CCC)CCN1CCCC1)C(C)C ZINC000491465767 332217206 /nfs/dbraw/zinc/21/72/06/332217206.db2.gz YAWLGWSGGQCOKG-HNNXBMFYSA-N 0 3 279.428 2.162 20 30 CEEDHN CC(C)N(CCCNC(=O)C(C)C#N)C(=O)OC(C)(C)C ZINC000491466029 332217323 /nfs/dbraw/zinc/21/73/23/332217323.db2.gz TXBPRJLVLIFKGK-GFCCVEGCSA-N 0 3 297.399 2.298 20 30 CEEDHN C#C[C@H](CC)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491543300 332233810 /nfs/dbraw/zinc/23/38/10/332233810.db2.gz FUIJPHQJEMIMHT-MRXNPFEDSA-N 0 3 278.359 2.460 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCc2cc(C)ccc2C1 ZINC000491669288 332276875 /nfs/dbraw/zinc/27/68/75/332276875.db2.gz CCDSCDBKHZXHGG-UHFFFAOYSA-N 0 3 299.418 2.018 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000491682878 332285450 /nfs/dbraw/zinc/28/54/50/332285450.db2.gz VJRSTLBEGGAXEG-PBHICJAKSA-N 0 3 299.418 2.174 20 30 CEEDHN C#C[C@H](CC)NCc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000491698555 332293457 /nfs/dbraw/zinc/29/34/57/332293457.db2.gz CRNMFFYETAGZCH-CQSZACIVSA-N 0 3 297.358 2.349 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000575397716 335099990 /nfs/dbraw/zinc/09/99/90/335099990.db2.gz DGISGPUSBVBQCZ-ZCFIWIBFSA-N 0 3 292.286 2.122 20 30 CEEDHN C#C[C@H](NC(=O)N(C)CC1(N(C)C)CCC1)C(C)(C)C ZINC000491772271 332338585 /nfs/dbraw/zinc/33/85/85/332338585.db2.gz UEBYEBMDZOQFNM-ZDUSSCGKSA-N 0 3 279.428 2.160 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1coc2cc(F)ccc12 ZINC000491811151 332363694 /nfs/dbraw/zinc/36/36/94/332363694.db2.gz KVOMCKMLYHXUNT-UHFFFAOYSA-N 0 3 288.322 2.257 20 30 CEEDHN C#C[C@@H](C)N(C)Cc1cn(-c2ccncc2)nc1C ZINC000491815564 332366707 /nfs/dbraw/zinc/36/67/07/332366707.db2.gz UZLKGDQGNJIJFK-GFCCVEGCSA-N 0 3 254.337 2.029 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C\c2ccsc2)CC1 ZINC000491914033 332375018 /nfs/dbraw/zinc/37/50/18/332375018.db2.gz MTFVAPJRKCLDCP-PLNGDYQASA-N 0 3 288.416 2.365 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C\C(C)(C)C)CC1 ZINC000492092614 332382486 /nfs/dbraw/zinc/38/24/86/332382486.db2.gz YFVFLGMOCDYPAD-YFHOEESVSA-N 0 3 262.397 2.193 20 30 CEEDHN C[C@H](O)CNCC#Cc1cccc(C(F)(F)F)c1 ZINC000575741580 335110850 /nfs/dbraw/zinc/11/08/50/335110850.db2.gz ODZYUGBZDKPSLZ-JTQLQIEISA-N 0 3 257.255 2.027 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000494911335 332490768 /nfs/dbraw/zinc/49/07/68/332490768.db2.gz SVMLPCFNNMGQNM-FICVDOATSA-N 0 3 277.412 2.125 20 30 CEEDHN CN(C)C(=O)OC1CCN(CC(C)(C)CCC#N)CC1 ZINC000497030828 332567927 /nfs/dbraw/zinc/56/79/27/332567927.db2.gz CEKZZWSDTGUXHZ-UHFFFAOYSA-N 0 3 281.400 2.479 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCCC2CC2)CC1 ZINC000176501586 333042491 /nfs/dbraw/zinc/04/24/91/333042491.db2.gz CPGWNHMCZSOXLV-UHFFFAOYSA-N 0 3 265.401 2.126 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000185812346 333149511 /nfs/dbraw/zinc/14/95/11/333149511.db2.gz SMCBCDGNDUCPCM-AVGNSLFASA-N 0 3 250.386 2.330 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H](C)CC2)CC1 ZINC000188919016 333176319 /nfs/dbraw/zinc/17/63/19/333176319.db2.gz FCAQBQPGIJYHPA-ZBFHGGJFSA-N 0 3 276.424 2.417 20 30 CEEDHN CN(CC(=O)N(CCC#N)CCC#N)C1CCCCCC1 ZINC000193957755 333261724 /nfs/dbraw/zinc/26/17/24/333261724.db2.gz JEEKVMHOFGCYMS-UHFFFAOYSA-N 0 3 290.411 2.297 20 30 CEEDHN C=CCOc1ccccc1CNC[C@](C)(O)CCOC ZINC000227216663 333278277 /nfs/dbraw/zinc/27/82/77/333278277.db2.gz YTAQZBKYASMHRF-MRXNPFEDSA-N 0 3 279.380 2.129 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000125416290 333566574 /nfs/dbraw/zinc/56/65/74/333566574.db2.gz HEYCXBYXGHBZFH-QWRGUYRKSA-N 0 3 296.317 2.077 20 30 CEEDHN CNC(=O)c1cccc(CN2CCC(CC#N)CC2)c1 ZINC000543808130 333900920 /nfs/dbraw/zinc/90/09/20/333900920.db2.gz YJHWJMLRLQVBKL-UHFFFAOYSA-N 0 3 271.364 2.172 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N(CC)C[C@H]1CCCN1CC ZINC000547797788 334119615 /nfs/dbraw/zinc/11/96/15/334119615.db2.gz FJOHAXJYWSXKNV-HUUCEWRRSA-N 0 3 282.428 2.300 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(-n2cncn2)c(C)c1 ZINC000576582553 335222013 /nfs/dbraw/zinc/22/20/13/335222013.db2.gz VXTFIVGBRFSPDL-ZBFHGGJFSA-N 0 3 284.363 2.009 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000192510920 335270752 /nfs/dbraw/zinc/27/07/52/335270752.db2.gz SWCIPKDUMAQGLA-WFASDCNBSA-N 0 3 258.365 2.418 20 30 CEEDHN N#CCC[C@H](C#N)CNCCC[C@@H]1CCCC[C@@H]1O ZINC000577221772 335325486 /nfs/dbraw/zinc/32/54/86/335325486.db2.gz ZOOAFMHSMFZAGY-ILXRZTDVSA-N 0 3 263.385 2.351 20 30 CEEDHN CN1C[C@@H]2CCCN(C(=O)Nc3cccc(CC#N)c3)[C@@H]2C1 ZINC000577505499 335361167 /nfs/dbraw/zinc/36/11/67/335361167.db2.gz BLQACZMYANNOQH-GOEBONIOSA-N 0 3 298.390 2.311 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000179316335 335487010 /nfs/dbraw/zinc/48/70/10/335487010.db2.gz PUCQMTQEFNKNJV-KBPBESRZSA-N 0 3 279.428 2.324 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H](CC)CSC)CC1 ZINC000180983458 335746975 /nfs/dbraw/zinc/74/69/75/335746975.db2.gz WBFCBHLVVYUDOT-GFCCVEGCSA-N 0 3 285.457 2.078 20 30 CEEDHN CC(C)N(CCC#N)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000579685831 335864709 /nfs/dbraw/zinc/86/47/09/335864709.db2.gz MOQRDAWJZDUTGG-MCIONIFRSA-N 0 3 265.401 2.398 20 30 CEEDHN C=CCN(CC=C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194360976 336018341 /nfs/dbraw/zinc/01/83/41/336018341.db2.gz NTMMUIULGCZKMV-CYBMUJFWSA-N 0 3 292.335 2.009 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC12CC2 ZINC000581484639 336087478 /nfs/dbraw/zinc/08/74/78/336087478.db2.gz VYVJNISWVLLDGZ-UONOGXRCSA-N 0 3 254.333 2.428 20 30 CEEDHN C[C@H](C#N)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000386610922 336176830 /nfs/dbraw/zinc/17/68/30/336176830.db2.gz BSKCCTSJENAOFN-CQSZACIVSA-N 0 3 285.391 2.317 20 30 CEEDHN C[C@@H]1C[C@H](N(C)c2ccc(C#N)c([N+](=O)[O-])c2)CCN1C ZINC000357526610 533896998 /nfs/dbraw/zinc/89/69/98/533896998.db2.gz FDVCBDIIYOYKFR-BXUZGUMPSA-N 0 3 288.351 2.385 20 30 CEEDHN COc1cc(Cl)ccc1CNC(=O)C(C)C#N ZINC000347117460 533961668 /nfs/dbraw/zinc/96/16/68/533961668.db2.gz ULHAUAGHMKIGNM-QMMMGPOBSA-N 0 3 252.701 2.124 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000186685114 519106077 /nfs/dbraw/zinc/10/60/77/519106077.db2.gz CXANURLXCWXONO-RYUDHWBXSA-N 0 3 264.325 2.491 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](C)CC1 ZINC000068828517 521186830 /nfs/dbraw/zinc/18/68/30/521186830.db2.gz IDAYPKDFDMDNLZ-KBPBESRZSA-N 0 3 265.401 2.117 20 30 CEEDHN COC(=O)[C@]12CCC[C@@H]1CN(Cc1ccc(C#N)cc1)C2 ZINC000363685746 524018470 /nfs/dbraw/zinc/01/84/70/524018470.db2.gz BUEZXFNDIMDRBU-WBVHZDCISA-N 0 3 284.359 2.333 20 30 CEEDHN Cc1cccc2[nH]cc(CCNC(=O)C(C)C#N)c21 ZINC000347139321 534775312 /nfs/dbraw/zinc/77/53/12/534775312.db2.gz RUROTZNPOBRDHW-NSHDSACASA-N 0 3 255.321 2.295 20 30 CEEDHN C=CCN1CC[C@H](N[C@@H]2C[C@H](OCC)C23CCCC3)C1=O ZINC000352810944 526514227 /nfs/dbraw/zinc/51/42/27/526514227.db2.gz QJDXVOKISZZVEH-ZNMIVQPWSA-N 0 3 292.423 2.101 20 30 CEEDHN N#Cc1ccc(OCCN2CCC[C@@H](n3cccn3)C2)cc1 ZINC000365129432 526674788 /nfs/dbraw/zinc/67/47/88/526674788.db2.gz ZJLRSUMZWCXGSV-MRXNPFEDSA-N 0 3 296.374 2.471 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000354513108 526709617 /nfs/dbraw/zinc/70/96/17/526709617.db2.gz OWWRKLJJIKPJBM-HNNXBMFYSA-N 0 3 295.471 2.121 20 30 CEEDHN C=CCCCCNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000353336876 527149327 /nfs/dbraw/zinc/14/93/27/527149327.db2.gz OXWIPRBCGNEJOH-AWEZNQCLSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000344335840 527158062 /nfs/dbraw/zinc/15/80/62/527158062.db2.gz SDRRGVOMHFEUKT-AVGNSLFASA-N 0 3 265.401 2.266 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000344335839 527158394 /nfs/dbraw/zinc/15/83/94/527158394.db2.gz SDRRGVOMHFEUKT-AGIUHOORSA-N 0 3 265.401 2.266 20 30 CEEDHN C=CCCCN(C)C(=O)NCCN(C)CCCC ZINC000347539756 527183098 /nfs/dbraw/zinc/18/30/98/527183098.db2.gz YBZAFINLLWHEQE-UHFFFAOYSA-N 0 3 255.406 2.326 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000417989936 527288749 /nfs/dbraw/zinc/28/87/49/527288749.db2.gz UCGLVEOCMYKGAG-RWMBFGLXSA-N 0 3 253.390 2.123 20 30 CEEDHN C=CCC[C@@H](N[C@@H]1CCN(C(C)=O)C1)c1ccco1 ZINC000353611700 527451364 /nfs/dbraw/zinc/45/13/64/527451364.db2.gz DWORWTFOEXHKPS-ZIAGYGMSSA-N 0 3 262.353 2.497 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCO[C@@H]1C)C(C)C ZINC000356024153 527650484 /nfs/dbraw/zinc/65/04/84/527650484.db2.gz XTEBAPXYOFRAHG-OWCLPIDISA-N 0 3 294.439 2.226 20 30 CEEDHN CCC[C@@H]1CCCCN1CC(=O)NC1(C#N)CCC1 ZINC000347245835 527737246 /nfs/dbraw/zinc/73/72/46/527737246.db2.gz ISMDKTFVOKXNFP-CYBMUJFWSA-N 0 3 263.385 2.203 20 30 CEEDHN CCCN(C)CC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000357310595 527817675 /nfs/dbraw/zinc/81/76/75/527817675.db2.gz TVMNNJDKFIOSDX-UHFFFAOYSA-N 0 3 271.364 2.005 20 30 CEEDHN CCC[C@H](C)[C@@H]1CCCN1CC(=O)NC1(C#N)CCC1 ZINC000347057509 528074066 /nfs/dbraw/zinc/07/40/66/528074066.db2.gz PCQXEVFFBZJMSD-KBPBESRZSA-N 0 3 277.412 2.449 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)N1CCCCC1=O ZINC000330075706 528219432 /nfs/dbraw/zinc/21/94/32/528219432.db2.gz GMSKNDZOKSHQOQ-ZIAGYGMSSA-N 0 3 295.427 2.218 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1cnn(C)c1C1CC1 ZINC000329180867 528233895 /nfs/dbraw/zinc/23/38/95/528233895.db2.gz DOKTZVNGZXNQLT-ZDUSSCGKSA-N 0 3 290.411 2.477 20 30 CEEDHN CCN(C[C@H](O)c1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC000048954078 528741738 /nfs/dbraw/zinc/74/17/38/528741738.db2.gz DVEOAITXCPQXID-CVEARBPZSA-N 0 3 274.364 2.093 20 30 CEEDHN CCN1CCC(NC(=O)N[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000330205852 528958519 /nfs/dbraw/zinc/95/85/19/528958519.db2.gz DSZMYHYXFVYBNU-CQSZACIVSA-N 0 3 295.427 2.076 20 30 CEEDHN CC(C)N1CCC[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC000329969814 529018966 /nfs/dbraw/zinc/01/89/66/529018966.db2.gz WUEJUARYHUIXBI-KGLIPLIRSA-N 0 3 290.411 2.275 20 30 CEEDHN CCS[C@H]1CCCC[C@@H]1NCC(=O)NC1(C#N)CCC1 ZINC000347207956 529227027 /nfs/dbraw/zinc/22/70/27/529227027.db2.gz SRGRSLLUQARZBX-STQMWFEESA-N 0 3 295.452 2.203 20 30 CEEDHN CN(C)c1ccc(C=NNCCN2CCCCC2)cc1F ZINC000727651291 574454118 /nfs/dbraw/zinc/45/41/18/574454118.db2.gz RVEXIGQTLCFTEY-UHFFFAOYSA-N 0 3 292.402 2.301 20 30 CEEDHN C(=NNC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000727652057 574454261 /nfs/dbraw/zinc/45/42/61/574454261.db2.gz BPOWBGRITMDAQM-UHFFFAOYSA-N 0 3 273.380 2.389 20 30 CEEDHN Cc1nccn1CCNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000728712063 574468842 /nfs/dbraw/zinc/46/88/42/574468842.db2.gz ULHVVXYVVPZDCL-ZDUSSCGKSA-N 0 3 284.363 2.272 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H](C)N2CCCC[C@H]2C)cn1 ZINC000728814277 574470926 /nfs/dbraw/zinc/47/09/26/574470926.db2.gz YTRMATBOYFNLQO-KGLIPLIRSA-N 0 3 285.391 2.056 20 30 CEEDHN C#CCCN1CCC(NC(=O)Cc2cccc(C)c2)CC1 ZINC000740738086 574478473 /nfs/dbraw/zinc/47/84/73/574478473.db2.gz UDGCLDCKRYNJEH-UHFFFAOYSA-N 0 3 284.403 2.141 20 30 CEEDHN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(C)o1 ZINC000753934702 574520025 /nfs/dbraw/zinc/52/00/25/574520025.db2.gz JUYYPFPZDHSWBA-VXGBXAGGSA-N 0 3 260.341 2.172 20 30 CEEDHN CC(C)(C)N(CC(=O)NCCC#N)Cc1ccccc1 ZINC000761885227 574521613 /nfs/dbraw/zinc/52/16/13/574521613.db2.gz CXSFZNVPJCSPSX-UHFFFAOYSA-N 0 3 273.380 2.317 20 30 CEEDHN COc1ccc(Cl)cc1CNC1CCN(CC#N)CC1 ZINC000730579127 574522817 /nfs/dbraw/zinc/52/28/17/574522817.db2.gz VCXOARRLAHUJRW-UHFFFAOYSA-N 0 3 293.798 2.426 20 30 CEEDHN CCCCCCCC(=O)N[C@H]1CCN(CCOC)C1 ZINC000730790426 574577019 /nfs/dbraw/zinc/57/70/19/574577019.db2.gz WTLFLHQMQSEHJJ-AWEZNQCLSA-N 0 3 270.417 2.184 20 30 CEEDHN CN1CCC[C@H](CNC(=S)Nc2ccccc2C#N)C1 ZINC000730954804 574585338 /nfs/dbraw/zinc/58/53/38/574585338.db2.gz LCZWZGRJQRJGLK-GFCCVEGCSA-N 0 3 288.420 2.186 20 30 CEEDHN C=C(CN(C)C)C(=O)NC[C@@H](OC)c1cccc(Cl)c1 ZINC000764578254 574599176 /nfs/dbraw/zinc/59/91/76/574599176.db2.gz QLJHBVQGSITAKA-CQSZACIVSA-N 0 3 296.798 2.262 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000732596065 574624197 /nfs/dbraw/zinc/62/41/97/574624197.db2.gz IWQCHMBXRICQRJ-XJKSGUPXSA-N 0 3 296.370 2.193 20 30 CEEDHN Cc1cc(C(C#N)C(=O)C=CC2CCOCC2)nc(C)n1 ZINC000732709214 574626666 /nfs/dbraw/zinc/62/66/66/574626666.db2.gz ZJEAEIVHNNSUSK-VQTKUKTRSA-N 0 3 285.347 2.253 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000733889071 574691229 /nfs/dbraw/zinc/69/12/29/574691229.db2.gz RUCFXGIGLJNRNF-GFCCVEGCSA-N 0 3 257.337 2.063 20 30 CEEDHN CCC(CC)NN=C1CCN(CCCC(=O)OC)CC1 ZINC000734366459 574709950 /nfs/dbraw/zinc/70/99/50/574709950.db2.gz SOUREDXWFJLAQD-UHFFFAOYSA-N 0 3 283.416 2.170 20 30 CEEDHN C=CC[C@H](NC(=O)CN(C)CCC)c1ccncc1 ZINC000734554624 574720274 /nfs/dbraw/zinc/72/02/74/574720274.db2.gz DUPURKJBSHBTJI-AWEZNQCLSA-N 0 3 261.369 2.157 20 30 CEEDHN C#Cc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)nc1 ZINC000737958638 574848688 /nfs/dbraw/zinc/84/86/88/574848688.db2.gz CEUJSAHXNBQZJB-UHFFFAOYSA-N 0 3 297.402 2.153 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@H]2CCOC2)c1 ZINC000740529470 574958182 /nfs/dbraw/zinc/95/81/82/574958182.db2.gz PUMQLFSJJFYRBW-OCCSQVGLSA-N 0 3 286.331 2.069 20 30 CEEDHN C#CCCN1CCC(NC(=O)CSCCC(C)C)CC1 ZINC000740737436 574967145 /nfs/dbraw/zinc/96/71/45/574967145.db2.gz DAPMEGAKRPNNGX-UHFFFAOYSA-N 0 3 296.480 2.370 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000740736009 574967166 /nfs/dbraw/zinc/96/71/66/574967166.db2.gz ZSFRTQBCFTWFQT-UHFFFAOYSA-N 0 3 274.339 2.043 20 30 CEEDHN CCCCCCCCN1CCC[C@H]1CS(N)(=O)=O ZINC000740877821 574970692 /nfs/dbraw/zinc/97/06/92/574970692.db2.gz ZOIUEEDISKQRQR-ZDUSSCGKSA-N 0 3 276.446 2.100 20 30 CEEDHN C#CCOc1ccccc1CNCCN1CCC[C@H]1C ZINC000742386984 575019162 /nfs/dbraw/zinc/01/91/62/575019162.db2.gz NRQBJYYNWUVLDO-OAHLLOKOSA-N 0 3 272.392 2.273 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=S)NCCN(C)C ZINC000743584780 575106775 /nfs/dbraw/zinc/10/67/75/575106775.db2.gz KLXAUJMNLMYLPQ-UHFFFAOYSA-N 0 3 291.464 2.153 20 30 CEEDHN CNC(=O)C(C#N)C(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000744036274 575112492 /nfs/dbraw/zinc/11/24/92/575112492.db2.gz XSISOKLQSMZXBT-SCZZXKLOSA-N 0 3 298.264 2.264 20 30 CEEDHN CCCCCCCCN1CCC[C@@H]1CS(=O)(=O)NC ZINC000749852444 575237136 /nfs/dbraw/zinc/23/71/36/575237136.db2.gz FZMWIFWQDNMTIB-CQSZACIVSA-N 0 3 290.473 2.361 20 30 CEEDHN C#CCCN1CCC(NC(=O)[C@@H](C)c2ccccc2)CC1 ZINC000752438170 575310123 /nfs/dbraw/zinc/31/01/23/575310123.db2.gz HZSWVDZJHFVNLX-HNNXBMFYSA-N 0 3 284.403 2.394 20 30 CEEDHN C#CCOCCN[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000753759242 575339961 /nfs/dbraw/zinc/33/99/61/575339961.db2.gz AYACNTHBLHXMHV-GFCCVEGCSA-N 0 3 263.385 2.247 20 30 CEEDHN C#CCOCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000753765983 575340414 /nfs/dbraw/zinc/34/04/14/575340414.db2.gz DWSFVJNTCKLLSG-LBPRGKRZSA-N 0 3 262.309 2.204 20 30 CEEDHN C#CCCC[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823840733 609145541 /nfs/dbraw/zinc/14/55/41/609145541.db2.gz CUSRADGAMKSFSQ-JTQLQIEISA-N 0 3 273.315 2.070 20 30 CEEDHN C#CCCC[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823840733 609145542 /nfs/dbraw/zinc/14/55/42/609145542.db2.gz CUSRADGAMKSFSQ-JTQLQIEISA-N 0 3 273.315 2.070 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C(C2CCC2)C2CCC2)C1 ZINC000969737010 612959945 /nfs/dbraw/zinc/95/99/45/612959945.db2.gz HFOQJSASPVIMMZ-OAHLLOKOSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cccc3c2CCCC3)C1 ZINC000968779699 612966305 /nfs/dbraw/zinc/96/63/05/612966305.db2.gz ALNSMRRZCPXRQU-OAHLLOKOSA-N 0 3 282.387 2.003 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2coc(C(F)F)c2)C1 ZINC000970337398 612998121 /nfs/dbraw/zinc/99/81/21/612998121.db2.gz YWXXZIIOSRWKBC-JTQLQIEISA-N 0 3 296.317 2.291 20 30 CEEDHN C#CCCN1CCCN(C(=O)C[C@@H](C)c2ccncc2)CC1 ZINC000981438411 613003080 /nfs/dbraw/zinc/00/30/80/613003080.db2.gz SOJZLWVXLHBHPO-MRXNPFEDSA-N 0 3 299.418 2.133 20 30 CEEDHN C#CCCN1CCCN(C(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC000981295501 613003171 /nfs/dbraw/zinc/00/31/71/613003171.db2.gz NMAKQLHMALBNGA-AWEZNQCLSA-N 0 3 298.377 2.370 20 30 CEEDHN C#CCCN1CCCN(C(=O)C[C@H]2CCCC2(F)F)CC1 ZINC000981821864 613003180 /nfs/dbraw/zinc/00/31/80/613003180.db2.gz SVNITUFCAXSWBT-CQSZACIVSA-N 0 3 298.377 2.370 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC000981896417 613003936 /nfs/dbraw/zinc/00/39/36/613003936.db2.gz OBUZQBFKYTYLBH-HZPDHXFCSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000981844094 613004154 /nfs/dbraw/zinc/00/41/54/613004154.db2.gz BKXBIZURWSWOLH-HZPDHXFCSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC000967521708 613015291 /nfs/dbraw/zinc/01/52/91/613015291.db2.gz GSHBFEGLHYSHJZ-HUUCEWRRSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2c(C)cncc2C)C1 ZINC000967376093 613015548 /nfs/dbraw/zinc/01/55/48/613015548.db2.gz GZWPKGFHSLNTHN-CZUORRHYSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC000967780604 613022432 /nfs/dbraw/zinc/02/24/32/613022432.db2.gz REKFUCKAGKKRDW-HOCLYGCPSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C2(C3CC3)CC2)C(C)(C)C1 ZINC000974696510 613031040 /nfs/dbraw/zinc/03/10/40/613031040.db2.gz BQKLLVQXSFVZSS-CQSZACIVSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2CCCC23CC3)C(C)(C)C1 ZINC000974758202 613031786 /nfs/dbraw/zinc/03/17/86/613031786.db2.gz UYVCVNASDYUCPA-HUUCEWRRSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C(C)(C)C1 ZINC000974860401 613037835 /nfs/dbraw/zinc/03/78/35/613037835.db2.gz DHAZOFUEOGRKRQ-KRXQYRFLSA-N 0 3 288.435 2.273 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc(CC)o2)CC1 ZINC000948556666 613163257 /nfs/dbraw/zinc/16/32/57/613163257.db2.gz UVYGRUCKJJHORM-CQSZACIVSA-N 0 3 288.391 2.402 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)Cc2cccc(C)c2)CC1 ZINC000948730545 613177858 /nfs/dbraw/zinc/17/78/58/613177858.db2.gz ZAOBESHASGADKQ-SFHVURJKSA-N 0 3 298.430 2.484 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)Cc2ccsc2)CC1 ZINC000948161817 613178542 /nfs/dbraw/zinc/17/85/42/613178542.db2.gz CIKVOGHYPKXNHB-HNNXBMFYSA-N 0 3 290.432 2.237 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2occc2C)CC1 ZINC000948192421 613180399 /nfs/dbraw/zinc/18/03/99/613180399.db2.gz QEICXUOYMUJOGE-AWEZNQCLSA-N 0 3 274.364 2.148 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccccc2CC)[C@@H](C)C1 ZINC000942177470 613226184 /nfs/dbraw/zinc/22/61/84/613226184.db2.gz VLFIVQJPPQHLJV-MAUKXSAKSA-N 0 3 298.430 2.251 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc[nH]c2CCC)[C@H](C)C1 ZINC000942572614 613234548 /nfs/dbraw/zinc/23/45/48/613234548.db2.gz WDZPVUJKBJBQJA-UKRRQHHQSA-N 0 3 287.407 2.041 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000946980223 613235750 /nfs/dbraw/zinc/23/57/50/613235750.db2.gz MHPBFEUCNHWELB-IUODEOHRSA-N 0 3 274.339 2.042 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000944889480 613236618 /nfs/dbraw/zinc/23/66/18/613236618.db2.gz DRVFCBMXTYXHAI-RDTXWAMCSA-N 0 3 296.414 2.249 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc3cc[nH]c32)[C@@H](C)C1 ZINC000942861276 613237241 /nfs/dbraw/zinc/23/72/41/613237241.db2.gz WZDCIAQOXVDBRM-XJKSGUPXSA-N 0 3 295.386 2.241 20 30 CEEDHN C=C(C)CCN1CCCN(C(=O)c2ccc(F)cn2)CC1 ZINC000981020195 613255114 /nfs/dbraw/zinc/25/51/14/613255114.db2.gz MPRFHOBSBVJZMH-UHFFFAOYSA-N 0 3 291.370 2.335 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2(C3CC3)CCC2)C[C@@H]1C ZINC000947572691 613257306 /nfs/dbraw/zinc/25/73/06/613257306.db2.gz SAJRKXKTAKJMDX-ZFWWWQNUSA-N 0 3 274.408 2.169 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2CCC=CCC2)C[C@@H]1C ZINC000948047295 613257822 /nfs/dbraw/zinc/25/78/22/613257822.db2.gz CBHRRWWSFLUYFF-HOCLYGCPSA-N 0 3 274.408 2.335 20 30 CEEDHN C=C(C)CCN1CC[C@@H](C)[C@@H](NC(=O)C(C)(F)F)C1 ZINC000964618199 613263157 /nfs/dbraw/zinc/26/31/57/613263157.db2.gz IFPFTEBRIUFXKN-NEPJUHHUSA-N 0 3 274.355 2.434 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(CC)cc2)[C@H](C)C1 ZINC000944619663 613268583 /nfs/dbraw/zinc/26/85/83/613268583.db2.gz OHHUCVKLNKIVRW-PBHICJAKSA-N 0 3 284.403 2.322 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H](C)C1 ZINC000944633819 613268605 /nfs/dbraw/zinc/26/86/05/613268605.db2.gz KLKHCYIWIACOOG-WBVHZDCISA-N 0 3 284.403 2.377 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000942940331 613270645 /nfs/dbraw/zinc/27/06/45/613270645.db2.gz SLPJESICYMHSSC-BBRMVZONSA-N 0 3 295.386 2.241 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2Cc3ccccc32)C1 ZINC000970351404 613299357 /nfs/dbraw/zinc/29/93/57/613299357.db2.gz ILHURGGLNWZUQC-DYVFJYSZSA-N 0 3 284.403 2.339 20 30 CEEDHN C=C(C)CN1CCCN(C(=O)Cc2ccsc2)CC1 ZINC000980653770 613308883 /nfs/dbraw/zinc/30/88/83/613308883.db2.gz BKNNLYSUPBOYOW-UHFFFAOYSA-N 0 3 278.421 2.401 20 30 CEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccc(CCC)cc3)[C@@H]2C1 ZINC000978648009 613310464 /nfs/dbraw/zinc/31/04/64/613310464.db2.gz ZOPKEKDKPHDNEB-NNZMDNLPSA-N 0 3 296.414 2.180 20 30 CEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2ccoc2)C1 ZINC000965930206 613325597 /nfs/dbraw/zinc/32/55/97/613325597.db2.gz FHYXVSDWUHOVQY-UKRRQHHQSA-N 0 3 276.380 2.225 20 30 CEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccnc(C)c2)C1 ZINC000968444254 613326110 /nfs/dbraw/zinc/32/61/10/613326110.db2.gz IJKLYQBFTYQSEX-CZUORRHYSA-N 0 3 287.407 2.406 20 30 CEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC000968642620 613334015 /nfs/dbraw/zinc/33/40/15/613334015.db2.gz AVSPOGJONJEWOM-SWLSCSKDSA-N 0 3 275.396 2.339 20 30 CEEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CC)C[C@@H]2C1 ZINC000979441044 613381606 /nfs/dbraw/zinc/38/16/06/613381606.db2.gz GEBDEFYJVAKMII-XQQFMLRXSA-N 0 3 270.804 2.366 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3ncccc3C)C2)C1 ZINC000969878935 613393953 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C=CCN(CCOC)Cc1cc(C)cc(OC)c1O ZINC000894548029 629529551 /nfs/dbraw/zinc/52/95/51/629529551.db2.gz LWIYGBDEMCGVHT-UHFFFAOYSA-N 0 3 265.353 2.344 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2CCN(C)[C@@H]2C)CCCC1 ZINC000928430387 629585339 /nfs/dbraw/zinc/58/53/39/629585339.db2.gz GSSQMZWZBDLLJH-CHWSQXEVSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000895043994 629813667 /nfs/dbraw/zinc/81/36/67/629813667.db2.gz OTSKRRQCUSCQOK-KGLIPLIRSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000895043996 629814392 /nfs/dbraw/zinc/81/43/92/629814392.db2.gz OTSKRRQCUSCQOK-ZIAGYGMSSA-N 0 3 279.428 2.467 20 30 CEEDHN C#CC[C@@H]1CCCN(Cc2c3c(nn2C)CCSC3)C1 ZINC000895078979 629863908 /nfs/dbraw/zinc/86/39/08/629863908.db2.gz UMJDLRUEIKDWBX-CYBMUJFWSA-N 0 3 289.448 2.445 20 30 CEEDHN CN1CCN(c2cccc(C#N)n2)C[C@@H]1C(C)(C)C ZINC000895101377 629898693 /nfs/dbraw/zinc/89/86/93/629898693.db2.gz KDPDWKNSHKAUQX-CYBMUJFWSA-N 0 3 258.369 2.120 20 30 CEEDHN CC#CC[C@@H](CO)N[C@H](C)c1cc2cnccc2o1 ZINC000895103246 629900095 /nfs/dbraw/zinc/90/00/95/629900095.db2.gz PUIWSSLTTGYKJY-YPMHNXCESA-N 0 3 258.321 2.253 20 30 CEEDHN CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCCN([O-])C2=O)C12CCC2 ZINC000895157638 629973082 /nfs/dbraw/zinc/97/30/82/629973082.db2.gz DJQIKIOJARHHPP-FRRDWIJNSA-N 0 3 296.411 2.083 20 30 CEEDHN O=C1[C@H]([NH2+]C2CC3(C2)CCCCC3)CCCN1[O-] ZINC000895158475 629975870 /nfs/dbraw/zinc/97/58/70/629975870.db2.gz JXVDALYZKCWWBH-GFCCVEGCSA-N 0 3 252.358 2.069 20 30 CEEDHN C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@H]2CCCN([O-])C2=O)C1 ZINC000895160681 629978325 /nfs/dbraw/zinc/97/83/25/629978325.db2.gz OKLNTGFAOMTXJN-VYDXJSESSA-N 0 3 288.391 2.467 20 30 CEEDHN CC1(C)CC(C(=O)C(C#N)C(=O)NCc2ccccc2)C1 ZINC000796777668 630001291 /nfs/dbraw/zinc/00/12/91/630001291.db2.gz DFGVMRKONJLZDL-CQSZACIVSA-N 0 3 284.359 2.448 20 30 CEEDHN CCOC(=O)C1=CC[C@@H](NCC#Cc2ccccc2)C1 ZINC000895599586 630265981 /nfs/dbraw/zinc/26/59/81/630265981.db2.gz 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C[C@@H](NC[C@@H](CO)Cc1ccco1)c1cc(C#N)ccn1 ZINC000902844222 634857211 /nfs/dbraw/zinc/85/72/11/634857211.db2.gz GPBSGVYQTISRLO-OCCSQVGLSA-N 0 3 285.347 2.048 20 30 CEEDHN CC[C@H](NC[C@H](C)S(C)(=O)=O)c1cccc(C#N)c1 ZINC000902887569 634880359 /nfs/dbraw/zinc/88/03/59/634880359.db2.gz JWQAUYGBTTXBJR-FZMZJTMJSA-N 0 3 280.393 2.032 20 30 CEEDHN CC[C@@H](NCC(=O)N(C)CC)c1cccc(C#N)c1 ZINC000902960324 634914322 /nfs/dbraw/zinc/91/43/22/634914322.db2.gz SLAKZXGDRCXFDJ-CQSZACIVSA-N 0 3 259.353 2.077 20 30 CEEDHN C#CCN(C(=O)Nc1ccccc1F)C1CCN(C)CC1 ZINC000902984826 634919460 /nfs/dbraw/zinc/91/94/60/634919460.db2.gz ASOHPPRDQUNXRM-UHFFFAOYSA-N 0 3 289.354 2.387 20 30 CEEDHN CC[C@H](N[C@@H](C)C(=O)N(C)C)c1cccc(C#N)c1 ZINC000902970595 634924105 /nfs/dbraw/zinc/92/41/05/634924105.db2.gz NZDUANJMJINMOU-FZMZJTMJSA-N 0 3 259.353 2.076 20 30 CEEDHN C[C@H](NC[C@H]1CC(C)(C)CO1)c1cc(C#N)ccn1 ZINC000903084687 634961895 /nfs/dbraw/zinc/96/18/95/634961895.db2.gz HEQAUOBBJMPOQW-WCQYABFASA-N 0 3 259.353 2.419 20 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COCCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905079272 635796659 /nfs/dbraw/zinc/79/66/59/635796659.db2.gz AEHDXMWHNYQXBG-RLIURORJSA-N 0 3 299.330 2.144 20 30 CEEDHN COc1ccc(C)cc1/C=C1/C(=O)c2ncnn2C1C ZINC000905083160 635798596 /nfs/dbraw/zinc/79/85/96/635798596.db2.gz ZVFCESXNGIIYDZ-QVIVLVACSA-N 0 3 269.304 2.436 20 30 CEEDHN COc1cc(C)c(/C=C2/C(=O)c3ncnn3C2C)c(C)n1 ZINC000905084605 635799329 /nfs/dbraw/zinc/79/93/29/635799329.db2.gz JGDWUNLJIXSWRR-HAAVITCDSA-N 0 3 284.319 2.139 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000905378865 636253858 /nfs/dbraw/zinc/25/38/58/636253858.db2.gz PXLDKQSEYANDKW-BOXZVXIZSA-N 0 3 289.423 2.307 20 30 CEEDHN Cc1ccc(CNC[C@@H](O)COc2ccccc2)cc1C#N ZINC000905581380 636340596 /nfs/dbraw/zinc/34/05/96/636340596.db2.gz UIWLQMZOOQHPQO-QGZVFWFLSA-N 0 3 296.370 2.396 20 30 CEEDHN C#C[C@@H](NCc1sccc1OC)C1CCOCC1 ZINC000827566225 636355853 /nfs/dbraw/zinc/35/58/53/636355853.db2.gz UENDXGIKURFJPP-GFCCVEGCSA-N 0 3 265.378 2.275 20 30 CEEDHN C#C[C@@H]([NH2+]Cc1ccc(OCC)cc1[O-])C1CCOCC1 ZINC000827570900 636357160 /nfs/dbraw/zinc/35/71/60/636357160.db2.gz UJCBYOKCGBYFOT-MRXNPFEDSA-N 0 3 289.375 2.309 20 30 CEEDHN C#Cc1cccc(NC(=S)N[C@H]2CCN(C)[C@H]2C)c1 ZINC000905650953 636363788 /nfs/dbraw/zinc/36/37/88/636363788.db2.gz UADLUCIWEPBNSW-FZMZJTMJSA-N 0 3 273.405 2.047 20 30 CEEDHN CC1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CC(F)(F)C1 ZINC000905777223 636435372 /nfs/dbraw/zinc/43/53/72/636435372.db2.gz MUIHWYGLUSUJEI-LBPRGKRZSA-N 0 3 293.317 2.110 20 30 CEEDHN C#CCCN(CCOC)Cc1ccc(OC)c(OC)c1C ZINC000827826879 636435524 /nfs/dbraw/zinc/43/55/24/636435524.db2.gz MNRQGUADEGFASF-UHFFFAOYSA-N 0 3 291.391 2.484 20 30 CEEDHN CC[C@H](N)c1cn(Cc2cc(Cl)cc(C#N)c2)nn1 ZINC000905837709 636479074 /nfs/dbraw/zinc/47/90/74/636479074.db2.gz KTSIMKLDLHNHDW-LBPRGKRZSA-N 0 3 275.743 2.261 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)COCC1CCCCC1 ZINC000905858404 636492325 /nfs/dbraw/zinc/49/23/25/636492325.db2.gz JQXMSGGUSKOGIC-KGLIPLIRSA-N 0 3 282.428 2.252 20 30 CEEDHN C=CCN1CC[C@@H](N[C@H](C)COCC2CCCCC2)C1=O ZINC000905856522 636510172 /nfs/dbraw/zinc/51/01/72/636510172.db2.gz DKIXCIIPFMYWNS-GDBMZVCRSA-N 0 3 294.439 2.348 20 30 CEEDHN CC(C)N1CCCN(C(=O)c2ccsc2C#N)CC1 ZINC000906543153 636780783 /nfs/dbraw/zinc/78/07/83/636780783.db2.gz DILZDJGIQVACCX-UHFFFAOYSA-N 0 3 277.393 2.176 20 30 CEEDHN C[C@@H](CNC(=O)[C@]1(C#N)CC2CCC1CC2)N1CCCC1 ZINC000906577125 636794687 /nfs/dbraw/zinc/79/46/87/636794687.db2.gz JOOFUGAYXNPIAC-GIOUXUJVSA-N 0 3 289.423 2.307 20 30 CEEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)NC(CC)CC)C1 ZINC000829773596 636926630 /nfs/dbraw/zinc/92/66/30/636926630.db2.gz GSNWONHDVKEHHD-ZIAGYGMSSA-N 0 3 264.413 2.415 20 30 CEEDHN C#CC[C@H]1CCCN(CC(=O)NCc2cccc(C)c2)C1 ZINC000829783721 636928742 /nfs/dbraw/zinc/92/87/42/636928742.db2.gz BDRGWUHBFJHYRD-INIZCTEOSA-N 0 3 284.403 2.347 20 30 CEEDHN C#CC[C@H]1CCC[N@@H+](Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000829815268 636936891 /nfs/dbraw/zinc/93/68/91/636936891.db2.gz ILUNQWRPKUGLSK-LBPRGKRZSA-N 0 3 271.364 2.295 20 30 CEEDHN C#CC[C@H]1CCC[N@H+](Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000829815268 636936892 /nfs/dbraw/zinc/93/68/92/636936892.db2.gz ILUNQWRPKUGLSK-LBPRGKRZSA-N 0 3 271.364 2.295 20 30 CEEDHN CC(C)C#CC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000830010008 636969579 /nfs/dbraw/zinc/96/95/79/636969579.db2.gz KRDCGKJEEUJKSZ-RDJZCZTQSA-N 0 3 284.403 2.425 20 30 CEEDHN C#CC1CCN([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000830311824 637032482 /nfs/dbraw/zinc/03/24/82/637032482.db2.gz WNCGOAHRBWVNBQ-CQSZACIVSA-N 0 3 264.413 2.366 20 30 CEEDHN C#CCCCCCCN1CCN(C[C@@H]2CCCO2)CC1 ZINC000876542376 650314183 /nfs/dbraw/zinc/31/41/83/650314183.db2.gz UPSUQOWFZHBVAO-KRWDZBQOSA-N 0 3 278.440 2.367 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000876581893 650345407 /nfs/dbraw/zinc/34/54/07/650345407.db2.gz GYICXZQTVFRLKR-LBPRGKRZSA-N 0 3 295.770 2.362 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1sccc1C ZINC000876577983 650342653 /nfs/dbraw/zinc/34/26/53/650342653.db2.gz XBQURXFOANXTGK-SECBINFHSA-N 0 3 258.774 2.143 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C)s1 ZINC000876579759 650343528 /nfs/dbraw/zinc/34/35/28/650343528.db2.gz KHRMMKDAPTUXLF-SNVBAGLBSA-N 0 3 258.774 2.143 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000876590195 650347965 /nfs/dbraw/zinc/34/79/65/650347965.db2.gz SHNBKRRQWBRHHI-JLLWLGSASA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)Oc1ccccc1 ZINC000876605534 650356524 /nfs/dbraw/zinc/35/65/24/650356524.db2.gz XCWFHPMJXVYNNY-WCQYABFASA-N 0 3 282.771 2.040 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000876621535 650363953 /nfs/dbraw/zinc/36/39/53/650363953.db2.gz BDRLBBIPFKWNQA-AGIUHOORSA-N 0 3 282.746 2.268 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2ccc(OC)cc2C1 ZINC000876622044 650364138 /nfs/dbraw/zinc/36/41/38/650364138.db2.gz AQIJCLYNQZOVOG-CQSZACIVSA-N 0 3 294.782 2.050 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2cnn(CC)c2c1 ZINC000876622899 650364551 /nfs/dbraw/zinc/36/45/51/650364551.db2.gz QFUPMQXNQSNWCR-GFCCVEGCSA-N 0 3 292.770 2.465 20 30 CEEDHN CCN1CCCN(C(=O)[C@@]2(C#N)CC23CCCC3)[C@H](C)C1 ZINC000910272879 637966941 /nfs/dbraw/zinc/96/69/41/637966941.db2.gz YDETTYLBELKMPD-PBHICJAKSA-N 0 3 289.423 2.403 20 30 CEEDHN CCN1CCCN(C(=O)C#Cc2cccs2)[C@H](C)C1 ZINC000910272405 637967077 /nfs/dbraw/zinc/96/70/77/637967077.db2.gz WTDMBWRLMLXOMX-CYBMUJFWSA-N 0 3 276.405 2.042 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)Cc1cccc(OC)c1 ZINC000876660829 650384146 /nfs/dbraw/zinc/38/41/46/650384146.db2.gz IAUOQEAPCSPUIB-RISCZKNCSA-N 0 3 296.798 2.212 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[C@@H](SC)C1 ZINC000876672933 650392520 /nfs/dbraw/zinc/39/25/20/650392520.db2.gz SKDXKQJZRZBRCA-AXFHLTTASA-N 0 3 276.833 2.247 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(OCCF)c1 ZINC000876688922 650401071 /nfs/dbraw/zinc/40/10/71/650401071.db2.gz PNCSMVGLCAVYQG-LBPRGKRZSA-N 0 3 286.734 2.443 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(C(=O)OC)c1 ZINC000876688363 650401215 /nfs/dbraw/zinc/40/12/15/650401215.db2.gz XFIMGNPEAGNZDA-GFCCVEGCSA-N 0 3 296.754 2.190 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H](C)C3CCC3)CCC[C@H]12 ZINC000991330705 638297909 /nfs/dbraw/zinc/29/79/09/638297909.db2.gz KHFVQASOMXWTJT-JLJPHGGASA-N 0 3 274.408 2.169 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3CCCC34CC4)CCC[C@@H]12 ZINC000991355532 638433588 /nfs/dbraw/zinc/43/35/88/638433588.db2.gz BRYUXBVTBUJEFE-HDMKZQKVSA-N 0 3 286.419 2.313 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1csc(CC)n1 ZINC000876764659 650424862 /nfs/dbraw/zinc/42/48/62/650424862.db2.gz PPIXSWRMSUSZSP-BDAKNGLRSA-N 0 3 287.816 2.353 20 30 CEEDHN C=CC[C@H](NC(=O)[C@H](N)CC(=C)Cl)c1ccncc1 ZINC000876765546 650425218 /nfs/dbraw/zinc/42/52/18/650425218.db2.gz VBGDBOGCCFMNCR-OLZOCXBDSA-N 0 3 279.771 2.285 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccc(OC)cc1 ZINC000911991553 638511131 /nfs/dbraw/zinc/51/11/31/638511131.db2.gz QDVOVSPJYAIEQO-HNNXBMFYSA-N 0 3 276.380 2.337 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1cccs1 ZINC000912005343 638515372 /nfs/dbraw/zinc/51/53/72/638515372.db2.gz MSTMVMAYYRWIKG-LBPRGKRZSA-N 0 3 252.383 2.390 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NC[C@@H]1COc2ccccc2C1 ZINC000912116520 638558375 /nfs/dbraw/zinc/55/83/75/638558375.db2.gz MBWHVEUDNRUUGE-HIFRSBDPSA-N 0 3 288.391 2.038 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCCC[C@@H]1CC ZINC000836242153 638583820 /nfs/dbraw/zinc/58/38/20/638583820.db2.gz JJAJAXSYDLPVLX-GJZGRUSLSA-N 0 3 279.428 2.210 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000836324908 638600714 /nfs/dbraw/zinc/60/07/14/638600714.db2.gz PUDMXIICFAJBCV-JKSUJKDBSA-N 0 3 291.439 2.210 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCCCC1(C)C ZINC000836356809 638609551 /nfs/dbraw/zinc/60/95/51/638609551.db2.gz DXHUVTVHSGNJRJ-AWEZNQCLSA-N 0 3 279.428 2.210 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2nccnc2c1 ZINC000912271947 638622192 /nfs/dbraw/zinc/62/21/92/638622192.db2.gz HUJCNECKBJXOGF-GFCCVEGCSA-N 0 3 270.336 2.252 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(C)s1 ZINC000912282730 638630335 /nfs/dbraw/zinc/63/03/35/638630335.db2.gz FYOPPXYQKKWNAD-GFCCVEGCSA-N 0 3 252.383 2.356 20 30 CEEDHN CC(C)(C(=O)NCCc1ccc(C#N)cc1)N1CCCCC1 ZINC000912292984 638633659 /nfs/dbraw/zinc/63/36/59/638633659.db2.gz RITJXCHJYLWEGE-UHFFFAOYSA-N 0 3 299.418 2.481 20 30 CEEDHN CCCCCCCC[C@H](N)C(=O)NC1CCOCC1 ZINC000912438267 638686292 /nfs/dbraw/zinc/68/62/92/638686292.db2.gz LZEHULQGGDIKNY-AWEZNQCLSA-N 0 3 270.417 2.360 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000876880021 650470615 /nfs/dbraw/zinc/47/06/15/650470615.db2.gz YGZRJSUTBYJXFL-BXKDBHETSA-N 0 3 298.770 2.048 20 30 CEEDHN C#Cc1cccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000837105584 639053622 /nfs/dbraw/zinc/05/36/22/639053622.db2.gz QJAMBHIEVMAKAR-OKILXGFUSA-N 0 3 270.376 2.157 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000876882420 650471569 /nfs/dbraw/zinc/47/15/69/650471569.db2.gz HXGNQUAJQWECFI-XYJRDEOASA-N 0 3 270.804 2.493 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2cc(C)ccc21 ZINC000876883988 650472917 /nfs/dbraw/zinc/47/29/17/650472917.db2.gz DYRSQRPUJNQESP-GFCCVEGCSA-N 0 3 264.756 2.354 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1scnc1C1CC1 ZINC000876890397 650475636 /nfs/dbraw/zinc/47/56/36/650475636.db2.gz YASBIZIWQYZRHI-MRVPVSSYSA-N 0 3 271.773 2.429 20 30 CEEDHN CN(C)CCN(CCc1ccccc1)C(=O)C#CC1CC1 ZINC000837350743 639199274 /nfs/dbraw/zinc/19/92/74/639199274.db2.gz BFBRYQDEIQGKRX-UHFFFAOYSA-N 0 3 284.403 2.033 20 30 CEEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C#CC1CC1 ZINC000837371782 639206148 /nfs/dbraw/zinc/20/61/48/639206148.db2.gz FGCBBXQLYDJWLZ-UHFFFAOYSA-N 0 3 288.366 2.129 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC)cc1C ZINC000876580681 639308591 /nfs/dbraw/zinc/30/85/91/639308591.db2.gz QEXFQHATYKGXHF-NSHDSACASA-N 0 3 268.744 2.412 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000876619157 639325589 /nfs/dbraw/zinc/32/55/89/639325589.db2.gz PIPQRCMLCWEZPJ-WCQGTBRESA-N 0 3 258.793 2.399 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000876974491 650513908 /nfs/dbraw/zinc/51/39/08/650513908.db2.gz JAMBHHIMESANBQ-STQMWFEESA-N 0 3 270.804 2.495 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001014919226 639651670 /nfs/dbraw/zinc/65/16/70/639651670.db2.gz KEVMNDBTIZZBOQ-HZPDHXFCSA-N 0 3 274.408 2.337 20 30 CEEDHN CC(C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000228939249 639665342 /nfs/dbraw/zinc/66/53/42/639665342.db2.gz LBOLAFZROLEVPE-QWHCGFSZSA-N 0 3 289.379 2.153 20 30 CEEDHN CO[C@H](CC(C)C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000842287580 639997612 /nfs/dbraw/zinc/99/76/12/639997612.db2.gz CPGAFLNMBDJHIM-ZIAGYGMSSA-N 0 3 288.347 2.395 20 30 CEEDHN CCCCCCO[C@@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000842285313 639997768 /nfs/dbraw/zinc/99/77/68/639997768.db2.gz PDLYFLPOPFZSKU-KBPBESRZSA-N 0 3 294.395 2.303 20 30 CEEDHN C[C@@H](O)C[C@@H](C)CNCc1cc(C#N)cnc1Cl ZINC000877058749 650552806 /nfs/dbraw/zinc/55/28/06/650552806.db2.gz LXZITXCYTPWEOZ-NXEZZACHSA-N 0 3 267.760 2.103 20 30 CEEDHN N#CC(C(=O)C[C@H]1CSCCS1)c1ccccn1 ZINC000152261267 640192554 /nfs/dbraw/zinc/19/25/54/640192554.db2.gz MUELHXUXZLWEBW-WDEREUQCSA-N 0 3 278.402 2.497 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccnc2)[C@@H]1C ZINC000992964239 640383825 /nfs/dbraw/zinc/38/38/25/640383825.db2.gz NEYJTFPEACFOGN-ZFWWWQNUSA-N 0 3 273.380 2.240 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccsc2)[C@@H]1C ZINC000993055329 640419155 /nfs/dbraw/zinc/41/91/55/640419155.db2.gz OBVKDEHFJUSTIM-GXTWGEPZSA-N 0 3 276.405 2.354 20 30 CEEDHN CS[C@@H](C)CNCc1cc(C#N)cnc1Cl ZINC000877110766 650577452 /nfs/dbraw/zinc/57/74/52/650577452.db2.gz BAJWHCYYGPEHFO-QMMMGPOBSA-N 0 3 255.774 2.448 20 30 CEEDHN CC(CN1CCCCCC1)=NOC[C@H]1CCOC1 ZINC000788034810 640502307 /nfs/dbraw/zinc/50/23/07/640502307.db2.gz VRYBENWRTXXSGJ-AWEZNQCLSA-N 0 3 254.374 2.291 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccoc2)[C@@H]1C ZINC000993252199 640568528 /nfs/dbraw/zinc/56/85/28/640568528.db2.gz UNROXFFTXRZATN-ZFWWWQNUSA-N 0 3 276.380 2.367 20 30 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0 3 274.364 2.194 20 30 CEEDHN C=C1CCC(C(=O)N[C@@H]2CCCN(CCCO)[C@H]2C)CC1 ZINC000993779856 640678723 /nfs/dbraw/zinc/67/87/23/640678723.db2.gz URHXTKUTBCIOAM-GOEBONIOSA-N 0 3 294.439 2.084 20 30 CEEDHN C[C@@H]1CC[C@@H](CN(C)C[C@@H](O)c2cccc(C#N)c2)O1 ZINC000844370212 640695511 /nfs/dbraw/zinc/69/55/11/640695511.db2.gz GGMYONZSQAASSB-UHOFOFEASA-N 0 3 274.364 2.091 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C(C2CC2)C2CC2)[C@H]1C ZINC000994190394 640699244 /nfs/dbraw/zinc/69/92/44/640699244.db2.gz PNIDLFRGDYLAJE-CZUORRHYSA-N 0 3 288.435 2.415 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN(CC(=C)C)[C@@H]2C)nc1 ZINC000994242409 640716563 /nfs/dbraw/zinc/71/65/63/640716563.db2.gz QHSIYZPFYYQURT-ZBFHGGJFSA-N 0 3 297.402 2.222 20 30 CEEDHN C[C@H](CCC#N)CNCc1cn(-c2ccccc2)nn1 ZINC000877161724 650603800 /nfs/dbraw/zinc/60/38/00/650603800.db2.gz QZNOOIPEMJMLHP-CYBMUJFWSA-N 0 3 269.352 2.297 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H]1C ZINC000994441951 640834065 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/nfs/dbraw/zinc/07/31/00/645073100.db2.gz GJKFSBJJDYQFLR-UHFFFAOYSA-N 0 3 284.375 2.487 20 30 CEEDHN C#CC[C@@H](COC)NCc1ccc(OCC)c(F)c1 ZINC000858334627 645122384 /nfs/dbraw/zinc/12/23/84/645122384.db2.gz CPDYBOLQOPORIO-ZDUSSCGKSA-N 0 3 265.328 2.352 20 30 CEEDHN C#CC[C@@H](COC)NCc1ccc(OC)c(OC2CC2)c1 ZINC000858335068 645123348 /nfs/dbraw/zinc/12/33/48/645123348.db2.gz VGPWEGANJXAXBE-AWEZNQCLSA-N 0 3 289.375 2.364 20 30 CEEDHN C#CC[C@@H](CCOC)Nc1ccnc2ccccc21 ZINC000858857693 645272790 /nfs/dbraw/zinc/27/27/90/645272790.db2.gz QSNPZHSKDQOFEB-ZDUSSCGKSA-N 0 3 254.333 2.497 20 30 CEEDHN C#CCCOC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000858881300 645280845 /nfs/dbraw/zinc/28/08/45/645280845.db2.gz VCUCDHHGXMMKAG-HNNXBMFYSA-N 0 3 272.348 2.010 20 30 CEEDHN N#CCC1(CN2CCCC[C@@H]2CN2CCCC2=O)CC1 ZINC000878096385 650996701 /nfs/dbraw/zinc/99/67/01/650996701.db2.gz GNVVLYSWOJIIBO-CQSZACIVSA-N 0 3 275.396 2.157 20 30 CEEDHN C#CCCCCCN1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000878114546 651003797 /nfs/dbraw/zinc/00/37/97/651003797.db2.gz LLRIZZSAJMKPKY-UHFFFAOYSA-N 0 3 299.418 2.101 20 30 CEEDHN CC#CCN1CCC([C@H](O)c2cccc(OC)c2)CC1 ZINC000860135887 645712281 /nfs/dbraw/zinc/71/22/81/645712281.db2.gz RWCZJGRQSWYEKE-KRWDZBQOSA-N 0 3 273.376 2.464 20 30 CEEDHN Cc1ccccc1C[C@H](C)C(=O)C(C#N)C(=O)NC(C)C ZINC000860472549 645800057 /nfs/dbraw/zinc/80/00/57/645800057.db2.gz KKJITGBZTHHGFS-ZFWWWQNUSA-N 0 3 286.375 2.407 20 30 CEEDHN C#CCCCN(CC)CC(=O)NCc1ccc(F)cc1 ZINC000766895310 645934103 /nfs/dbraw/zinc/93/41/03/645934103.db2.gz DRZQIHCQHCLUNU-UHFFFAOYSA-N 0 3 276.355 2.177 20 30 CEEDHN C#CCCCN1CCCN(C(=O)c2ccccc2F)CC1 ZINC000766896743 645934128 /nfs/dbraw/zinc/93/41/28/645934128.db2.gz RWUJLAWEPYOJAT-UHFFFAOYSA-N 0 3 288.366 2.387 20 30 CEEDHN C[C@H]1CN(Cc2ccc(OCC#N)cc2)[C@@H](C)CN1C ZINC000768771682 646161979 /nfs/dbraw/zinc/16/19/79/646161979.db2.gz KNGCOWRQNJHJOA-KBPBESRZSA-N 0 3 273.380 2.113 20 30 CEEDHN CCCCCCCNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000861655675 646240188 /nfs/dbraw/zinc/24/01/88/646240188.db2.gz YVDKLHRXSYGEIG-STQMWFEESA-N 0 3 255.406 2.349 20 30 CEEDHN C#CCOc1ccc(CN2CCN(C)CC2(C)C)cc1 ZINC000769445880 646267672 /nfs/dbraw/zinc/26/76/72/646267672.db2.gz HMPDQNHQNYOQRI-UHFFFAOYSA-N 0 3 272.392 2.225 20 30 CEEDHN CC(C)(C#N)CCCCN1CCN(CCCCO)CC1 ZINC000769754019 646310738 /nfs/dbraw/zinc/31/07/38/646310738.db2.gz ZQHLJDCPRHIKKU-UHFFFAOYSA-N 0 3 281.444 2.097 20 30 CEEDHN C#CCOc1ccccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000769941989 646337982 /nfs/dbraw/zinc/33/79/82/646337982.db2.gz FURRFOTZUJXGJO-HIFRSBDPSA-N 0 3 254.333 2.480 20 30 CEEDHN C#CC[C@@H]1CCN(Cc2cccc(C(=O)OCC)n2)C1 ZINC000862446597 646464069 /nfs/dbraw/zinc/46/40/69/646464069.db2.gz BGLUACQJSAKVDB-CYBMUJFWSA-N 0 3 272.348 2.104 20 30 CEEDHN C#CC[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000862575459 646512391 /nfs/dbraw/zinc/51/23/91/646512391.db2.gz WBUOKDSBPFCXTQ-BBRMVZONSA-N 0 3 280.387 2.071 20 30 CEEDHN N#Cc1ccc(CNCCOc2cccnc2)c(F)c1 ZINC000772920968 646687871 /nfs/dbraw/zinc/68/78/71/646687871.db2.gz LIFYAGMAHMYTNK-UHFFFAOYSA-N 0 3 271.295 2.261 20 30 CEEDHN CC[C@@H](NCC(=O)N(CC)CC)c1ccc(C#N)cc1 ZINC000774135315 646808125 /nfs/dbraw/zinc/80/81/25/646808125.db2.gz BFUKEEGNCJHSPK-OAHLLOKOSA-N 0 3 273.380 2.467 20 30 CEEDHN Cc1ccccc1[C@H](NCC(=O)NCCC#N)C(C)C ZINC000775409521 646951844 /nfs/dbraw/zinc/95/18/44/646951844.db2.gz ZUALJZDUUQWNFZ-MRXNPFEDSA-N 0 3 273.380 2.312 20 30 CEEDHN C#C[C@@H](NCCOc1ccc(C)cc1)[C@@H]1CCCO1 ZINC000775790764 646993043 /nfs/dbraw/zinc/99/30/43/646993043.db2.gz ITYSYPXFIXIIBZ-CVEARBPZSA-N 0 3 259.349 2.144 20 30 CEEDHN C#CCNC(=O)CN(CC)C[C@@H](CC)c1ccccc1 ZINC000775895312 647003597 /nfs/dbraw/zinc/00/35/97/647003597.db2.gz MAUCBSWELAEQEF-OAHLLOKOSA-N 0 3 272.392 2.252 20 30 CEEDHN C#CCOc1ccc(CN2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000775984886 647012783 /nfs/dbraw/zinc/01/27/83/647012783.db2.gz HRTKRFUKQIOCPF-GJZGRUSLSA-N 0 3 272.392 2.223 20 30 CEEDHN C=CCN1CCC(Nc2cc(NCCC)ncn2)CC1 ZINC000865521615 647337953 /nfs/dbraw/zinc/33/79/53/647337953.db2.gz CQLVNWMLYZXBOG-UHFFFAOYSA-N 0 3 275.400 2.361 20 30 CEEDHN COC(=O)c1cccc(N=NC2CN(C3CC3)C[C@@H]2C)c1 ZINC000779826767 647363162 /nfs/dbraw/zinc/36/31/62/647363162.db2.gz PROFOGDRZCOZHK-NSHDSACASA-N 0 3 287.363 2.355 20 30 CEEDHN C#CCCCCCC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000779931694 647372384 /nfs/dbraw/zinc/37/23/84/647372384.db2.gz XMYURUZPTXHZFF-OAHLLOKOSA-N 0 3 262.397 2.265 20 30 CEEDHN C#CCCCCCC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000779959153 647374878 /nfs/dbraw/zinc/37/48/78/647374878.db2.gz JTKZCWPRSPQSHR-CQSZACIVSA-N 0 3 250.386 2.123 20 30 CEEDHN C=CCCNCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865623636 647393447 /nfs/dbraw/zinc/39/34/47/647393447.db2.gz QRMLDCBXVISARA-UHFFFAOYSA-N 0 3 278.356 2.489 20 30 CEEDHN C#CC[C@@H](COC)NCc1cc(F)cc(OCC)c1 ZINC000865646586 647405007 /nfs/dbraw/zinc/40/50/07/647405007.db2.gz WPXGQQFIERJGHK-AWEZNQCLSA-N 0 3 265.328 2.352 20 30 CEEDHN CN1Cc2ccccc2[C@@H]1CNCc1ccc(C#N)o1 ZINC000865806731 647470962 /nfs/dbraw/zinc/47/09/62/647470962.db2.gz TYDXLNACFKDGEB-INIZCTEOSA-N 0 3 267.332 2.428 20 30 CEEDHN C#Cc1cnc(N[C@H]2CCN(Cc3ccc(C)cc3)C2)nc1 ZINC000866115866 647616049 /nfs/dbraw/zinc/61/60/49/647616049.db2.gz FODMIQPPXIOFLO-KRWDZBQOSA-N 0 3 292.386 2.453 20 30 CEEDHN C=CCC[C@H](C)NCc1cc(C(=O)OCC)no1 ZINC000866514995 647811978 /nfs/dbraw/zinc/81/19/78/647811978.db2.gz YIJSHFZUPRFYRA-JTQLQIEISA-N 0 3 252.314 2.296 20 30 CEEDHN N#Cc1ccc(CN[C@H](CO)C2CC2)c(Cl)c1 ZINC000784347898 647839131 /nfs/dbraw/zinc/83/91/31/647839131.db2.gz PVYXWKFJKJFJJO-CYBMUJFWSA-N 0 3 250.729 2.072 20 30 CEEDHN Cn1ccnc1[C@@H](N[C@@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000866618148 647845099 /nfs/dbraw/zinc/84/50/99/647845099.db2.gz WEJZHOWTEICTEO-SJORKVTESA-N 0 3 292.386 2.500 20 30 CEEDHN N#Cc1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)co1 ZINC000867985935 648011071 /nfs/dbraw/zinc/01/10/71/648011071.db2.gz RVGDQLACCYCXKS-HNNXBMFYSA-N 0 3 297.314 2.064 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC[C@H]2CCCS2)CC1 ZINC000868284015 648089716 /nfs/dbraw/zinc/08/97/16/648089716.db2.gz NPJJWDGNENOXAS-CQSZACIVSA-N 0 3 297.468 2.222 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1sccc1CC#N ZINC000868313172 648094521 /nfs/dbraw/zinc/09/45/21/648094521.db2.gz YODBJOONNFZZQE-ZDUSSCGKSA-N 0 3 291.420 2.418 20 30 CEEDHN N#CC(C(=O)C1CCN(CC(F)F)CC1)c1ccccn1 ZINC000805853408 648143053 /nfs/dbraw/zinc/14/30/53/648143053.db2.gz IWHQDYBCAMIQBR-GFCCVEGCSA-N 0 3 293.317 2.235 20 30 CEEDHN C=CCCCCC[C@@H](C)NCc1cc(C(N)=O)no1 ZINC000793586641 648779657 /nfs/dbraw/zinc/77/96/57/648779657.db2.gz KDYVRBDKNDMZHC-LLVKDONJSA-N 0 3 265.357 2.388 20 30 CEEDHN CC(C)N(CC(=O)NCCC#N)[C@@H](C)c1ccccc1 ZINC000794687322 648904028 /nfs/dbraw/zinc/90/40/28/648904028.db2.gz YJZMDXLFPDHOQA-AWEZNQCLSA-N 0 3 273.380 2.488 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@@H](O)CC(C)(C)O ZINC000871972580 649232879 /nfs/dbraw/zinc/23/28/79/649232879.db2.gz MLEZSYFJLOCIAX-HNNXBMFYSA-N 0 3 263.381 2.197 20 30 CEEDHN CC(C)OC[C@@H](O)CN[C@H](CCC#N)c1ccccc1 ZINC000872204873 649314938 /nfs/dbraw/zinc/31/49/38/649314938.db2.gz IWRPANLUWZYRDV-JKSUJKDBSA-N 0 3 276.380 2.407 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](O)Cc2cccc(Cl)c2)o1 ZINC000873179142 649579675 /nfs/dbraw/zinc/57/96/75/649579675.db2.gz DYYQLJCDJVCBON-ZDUSSCGKSA-N 0 3 290.750 2.498 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874826328 649842516 /nfs/dbraw/zinc/84/25/16/649842516.db2.gz VNXZHMQNOYAYST-CHWSQXEVSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CC[C@H](C)[NH+]1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000878519237 651119764 /nfs/dbraw/zinc/11/97/64/651119764.db2.gz GAUIWARYMXBRDX-NSHDSACASA-N 0 3 292.383 2.125 20 30 CEEDHN C=CC[C@H](C)[NH+]1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000878519237 651119765 /nfs/dbraw/zinc/11/97/65/651119765.db2.gz GAUIWARYMXBRDX-NSHDSACASA-N 0 3 292.383 2.125 20 30 CEEDHN C=CC[C@@H](C)[N@@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000878630157 651145988 /nfs/dbraw/zinc/14/59/88/651145988.db2.gz SSJBPXQVNVWTOH-GHMZBOCLSA-N 0 3 278.318 2.342 20 30 CEEDHN C=CC[C@@H](C)[N@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000878630157 651145989 /nfs/dbraw/zinc/14/59/89/651145989.db2.gz SSJBPXQVNVWTOH-GHMZBOCLSA-N 0 3 278.318 2.342 20 30 CEEDHN C=CC[C@@H](C)[N@@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000878630158 651146017 /nfs/dbraw/zinc/14/60/17/651146017.db2.gz SSJBPXQVNVWTOH-MNOVXSKESA-N 0 3 278.318 2.342 20 30 CEEDHN C=CC[C@@H](C)[N@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000878630158 651146018 /nfs/dbraw/zinc/14/60/18/651146018.db2.gz SSJBPXQVNVWTOH-MNOVXSKESA-N 0 3 278.318 2.342 20 30 CEEDHN C#CCCCCCN1CCO[C@]2(CCSC2)C1 ZINC000878758276 651180774 /nfs/dbraw/zinc/18/07/74/651180774.db2.gz INGPLTTXIAWSMK-CQSZACIVSA-N 0 3 253.411 2.388 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC([C@H](F)C(N)=O)CC1 ZINC000879045066 651234145 /nfs/dbraw/zinc/23/41/45/651234145.db2.gz GSNVNKOLGXNXCC-NHYWBVRUSA-N 0 3 289.354 2.155 20 30 CEEDHN COc1ccc([C@@H]2CN(Cc3ccc(C#N)o3)CCN2)cc1 ZINC000879521643 651315728 /nfs/dbraw/zinc/31/57/28/651315728.db2.gz AEZZUDDBYVQWGS-KRWDZBQOSA-N 0 3 297.358 2.306 20 30 CEEDHN COc1ccc([C@@H]2CN(CC3(CC#N)CC3)CCN2)cc1 ZINC000879523822 651316297 /nfs/dbraw/zinc/31/62/97/651316297.db2.gz PAIULNXUUGZNSB-INIZCTEOSA-N 0 3 285.391 2.335 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H]2CSC[C@H]2C1 ZINC000879555224 651320462 /nfs/dbraw/zinc/32/04/62/651320462.db2.gz LURKUFGLONRVEU-ZIAGYGMSSA-N 0 3 282.453 2.096 20 30 CEEDHN Cc1cncc([C@@H]2CCCN2CCO[C@H](C)C#N)c1 ZINC000879752970 651347787 /nfs/dbraw/zinc/34/77/87/651347787.db2.gz YLJCVVFGYQURIZ-HIFRSBDPSA-N 0 3 259.353 2.456 20 30 CEEDHN CC(C)CC(=O)N1CCCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000879761633 651348765 /nfs/dbraw/zinc/34/87/65/651348765.db2.gz OFCWBFWMKOLGMA-HUUCEWRRSA-N 0 3 277.412 2.259 20 30 CEEDHN N#CCCOCCN1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000879995684 651371065 /nfs/dbraw/zinc/37/10/65/651371065.db2.gz HBKVKHNMSKKLSV-HNNXBMFYSA-N 0 3 278.327 2.209 20 30 CEEDHN C=CCC[C@H](O)CN1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880057160 651380034 /nfs/dbraw/zinc/38/00/34/651380034.db2.gz OSLBYPRGDXIZFG-SRVKXCTJSA-N 0 3 281.318 2.355 20 30 CEEDHN COC(=O)[C@]12CCC[C@H]1N(Cc1ccc(C#N)o1)CC2 ZINC000880184399 651396921 /nfs/dbraw/zinc/39/69/21/651396921.db2.gz FAWFISSKCCYXAO-HIFRSBDPSA-N 0 3 274.320 2.069 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCSC(C)(C)C2)CC1 ZINC000888808517 651426794 /nfs/dbraw/zinc/42/67/94/651426794.db2.gz BEQBUZCBFYCBBT-CQSZACIVSA-N 0 3 294.464 2.122 20 30 CEEDHN COc1cccc2c1CC[C@]2(CO)NCC1(CC#N)CC1 ZINC000880381451 651433466 /nfs/dbraw/zinc/43/34/66/651433466.db2.gz AYKITMGCJYNHJP-QGZVFWFLSA-N 0 3 286.375 2.112 20 30 CEEDHN C#CCC1(O)CCN(Cc2sc(C)nc2C)CC1 ZINC000880478794 651447756 /nfs/dbraw/zinc/44/77/56/651447756.db2.gz GBKTZGRFZCDBOK-UHFFFAOYSA-N 0 3 264.394 2.110 20 30 CEEDHN CCC[C@@H](N)c1cn(Cc2ccc(OCC#N)cc2)nn1 ZINC000881284826 651663381 /nfs/dbraw/zinc/66/33/81/651663381.db2.gz AYSQAZNVRDCIJF-CQSZACIVSA-N 0 3 285.351 2.029 20 30 CEEDHN CSCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000131003082 652365876 /nfs/dbraw/zinc/36/58/76/652365876.db2.gz XHXWNQNCOAMZOZ-GFCCVEGCSA-N 0 3 276.361 2.477 20 30 CEEDHN C#CC[C@H](CO)NCc1cc(OC)cc(C(F)(F)F)c1 ZINC000883125807 652370666 /nfs/dbraw/zinc/37/06/66/652370666.db2.gz VNCKTJHDIHWFSE-GFCCVEGCSA-N 0 3 287.281 2.188 20 30 CEEDHN C#CC1(NCc2cnc3c(cnn3C)c2)CCCC1 ZINC000883361850 652444033 /nfs/dbraw/zinc/44/40/33/652444033.db2.gz NLWCJKALOASQQZ-UHFFFAOYSA-N 0 3 254.337 2.004 20 30 CEEDHN C#CC1(NCc2cc(C(=O)OC)c(C)n2C)CCCC1 ZINC000883361577 652444107 /nfs/dbraw/zinc/44/41/07/652444107.db2.gz HBVCNMWWCZMJHH-UHFFFAOYSA-N 0 3 274.364 2.156 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cnc(Cl)c(F)c1 ZINC000883399517 652456260 /nfs/dbraw/zinc/45/62/60/652456260.db2.gz PCTTYAIQEPOCTJ-JTQLQIEISA-N 0 3 258.724 2.291 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cc(OC)ccc1F ZINC000883400589 652456612 /nfs/dbraw/zinc/45/66/12/652456612.db2.gz QKULPMGYTSWQJX-GFCCVEGCSA-N 0 3 253.317 2.251 20 30 CEEDHN CC(C)CC[C@H](C)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884047216 652658205 /nfs/dbraw/zinc/65/82/05/652658205.db2.gz KDPIDDYTDMJYPM-REWIBIJMSA-N 0 3 277.412 2.067 20 30 CEEDHN Cc1ccc(CNC(=O)C2CC3(C2)CNC[C@@H]3C#N)c(C)c1 ZINC000884074786 652695678 /nfs/dbraw/zinc/69/56/78/652695678.db2.gz BDUVWSRACYEHGE-PQUAAJSLSA-N 0 3 297.402 2.059 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)[C@H](N)CC1CC1 ZINC000884088785 652702473 /nfs/dbraw/zinc/70/24/73/652702473.db2.gz VAFVJPDNRMSSDT-OAHLLOKOSA-N 0 3 258.365 2.329 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N(C(=O)C2CC3(C2)CNC[C@@H]3C#N)C1 ZINC000884143404 652726559 /nfs/dbraw/zinc/72/65/59/652726559.db2.gz HGVUMIWHBGTIAQ-XDFMGDNLSA-N 0 3 289.423 2.163 20 30 CEEDHN C[C@H]1CC(NC(=O)C2CC3(C2)CNC[C@H]3C#N)C[C@H](C)C1 ZINC000884142730 652726744 /nfs/dbraw/zinc/72/67/44/652726744.db2.gz JNHXFMTYMUHHGO-QBMKOXDISA-N 0 3 289.423 2.067 20 30 CEEDHN CC(C)(C#N)CCCN1CCCC2(C1)OCCO2 ZINC000134025104 652758749 /nfs/dbraw/zinc/75/87/49/652758749.db2.gz KILKHWXWUPGCHR-UHFFFAOYSA-N 0 3 252.358 2.155 20 30 CEEDHN CN(CCC(C)(C)C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884374934 652821873 /nfs/dbraw/zinc/82/18/73/652821873.db2.gz GWTZCOGTQVPPRU-MFOWVQHXSA-N 0 3 277.412 2.020 20 30 CEEDHN C[C@@H]1CN(C)[C@@H](C)CN1c1ncnc2ccc(C#N)cc21 ZINC001164638738 719169335 /nfs/dbraw/zinc/16/93/35/719169335.db2.gz RKRPEQMNHUTQFM-NWDGAFQWSA-N 0 3 281.363 2.030 20 30 CEEDHN N#Cc1cc(N(C(=N)N)c2ccc(F)cc2)ccn1 ZINC001167992090 805591657 /nfs/dbraw/zinc/59/16/57/805591657.db2.gz MESHVMYKVZARBR-UHFFFAOYSA-N 0 3 255.256 2.124 20 30 CEEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001270905623 805677857 /nfs/dbraw/zinc/67/78/57/805677857.db2.gz ANTGZWGOGGIYDS-HUUCEWRRSA-N 0 3 276.424 2.274 20 30 CEEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001270919498 805688379 /nfs/dbraw/zinc/68/83/79/805688379.db2.gz LMPOXMDGNHHANN-HUUCEWRRSA-N 0 3 276.424 2.130 20 30 CEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2cc[nH]c2)C1 ZINC001270965363 805700402 /nfs/dbraw/zinc/70/04/02/805700402.db2.gz GJXWSVQUVIJOOK-OAHLLOKOSA-N 0 3 261.369 2.033 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2c(C)[nH]nc2Cl)[C@H]1CC ZINC001087596583 805758076 /nfs/dbraw/zinc/75/80/76/805758076.db2.gz MOFUMDCOVKSDPY-WDEREUQCSA-N 0 3 296.802 2.140 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccccc2CC)[C@H]1CC ZINC001087620559 805761969 /nfs/dbraw/zinc/76/19/69/805761969.db2.gz KXHYPFHRIUVRPP-ZWKOTPCHSA-N 0 3 298.430 2.394 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2Cc3ccccc32)[C@H]1CC ZINC001087708948 805778372 /nfs/dbraw/zinc/77/83/72/805778372.db2.gz YCJKIIBYGTZZMP-YESZJQIVSA-N 0 3 284.403 2.481 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@H]1C ZINC001088840714 807091711 /nfs/dbraw/zinc/09/17/11/807091711.db2.gz SHOPLGDQXGLXQZ-KFWWJZLASA-N 0 3 276.424 2.415 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)C(C)(C)C)C[C@@H]2C1 ZINC001088013530 805880490 /nfs/dbraw/zinc/88/04/90/805880490.db2.gz IZRKZQKXCDHAIP-OAGGEKHMSA-N 0 3 290.451 2.472 20 30 CEEDHN CC[C@H](F)CNC[C@H](CC(C)C)NC(=O)C#CC1CC1 ZINC001271261778 805904940 /nfs/dbraw/zinc/90/49/40/805904940.db2.gz RUKPZRXIDHEKQS-GJZGRUSLSA-N 0 3 282.403 2.268 20 30 CEEDHN C=CCN[C@H](CNC(=O)C(F)F)c1ccccc1CC ZINC001271438688 805952757 /nfs/dbraw/zinc/95/27/57/805952757.db2.gz OMQHCKCGFAKNAX-CYBMUJFWSA-N 0 3 282.334 2.447 20 30 CEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H](C)OC)C1 ZINC001088274508 806076292 /nfs/dbraw/zinc/07/62/92/806076292.db2.gz WQINUEBVJMPFFL-STQMWFEESA-N 0 3 288.819 2.135 20 30 CEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H](C)C#N)C1 ZINC001088280025 806081445 /nfs/dbraw/zinc/08/14/45/806081445.db2.gz HNQDGNMVVGXVAD-AAEUAGOBSA-N 0 3 283.803 2.259 20 30 CEEDHN CCCCCC#CC(=O)N1CCC2(CN(C)C2)CC1 ZINC001271954456 806157784 /nfs/dbraw/zinc/15/77/84/806157784.db2.gz VPQJPAAJHYBZNL-UHFFFAOYSA-N 0 3 262.397 2.124 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)SC ZINC001272015014 806275028 /nfs/dbraw/zinc/27/50/28/806275028.db2.gz FXABGGFFRPXLLL-SOUVJXGZSA-N 0 3 294.464 2.217 20 30 CEEDHN CCc1onc(C)c1CNCCNc1ccc(C#N)cn1 ZINC000897395834 806328638 /nfs/dbraw/zinc/32/86/38/806328638.db2.gz JRBWGUNXTIZSGM-UHFFFAOYSA-N 0 3 285.351 2.014 20 30 CEEDHN C[C@@]1(CCCO)CCCN1Cc1cc(C#N)ccn1 ZINC001168202269 806407241 /nfs/dbraw/zinc/40/72/41/806407241.db2.gz SGYSCRAAJKIIEV-HNNXBMFYSA-N 0 3 259.353 2.080 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)[C@@H]1CCCC[C@@H]1C ZINC001272092958 806507871 /nfs/dbraw/zinc/50/78/71/806507871.db2.gz LHWRTFGMBCVWRW-LSDHHAIUSA-N 0 3 264.413 2.226 20 30 CEEDHN CC/C(C)=C\C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001126752565 806517906 /nfs/dbraw/zinc/51/79/06/806517906.db2.gz PWKHSIJRTSUSIT-WQLSENKSSA-N 0 3 289.354 2.259 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)C3CCC3)[C@@H]2C1 ZINC001075936000 806581726 /nfs/dbraw/zinc/58/17/26/806581726.db2.gz MNDSFDJCHVIXCK-AEGPPILISA-N 0 3 262.397 2.141 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H](C)c3ccncc3)[C@@H]2C1 ZINC001075942181 806612570 /nfs/dbraw/zinc/61/25/70/806612570.db2.gz YVSIROXKNWYJQM-HYVNUMGLSA-N 0 3 299.418 2.294 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](C)C(C)(F)F)[C@@H]2C1 ZINC001076255239 806829664 /nfs/dbraw/zinc/82/96/64/806829664.db2.gz YBSPQWRQTVRCCB-FRRDWIJNSA-N 0 3 286.366 2.387 20 30 CEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001076865236 806882071 /nfs/dbraw/zinc/88/20/71/806882071.db2.gz CKFFKEBCHSBMJU-HZPDHXFCSA-N 0 3 292.423 2.004 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc2nccnc2c1 ZINC001039004498 802314920 /nfs/dbraw/zinc/31/49/20/802314920.db2.gz FXHNHROCLPNZHO-CQSZACIVSA-N 0 3 296.374 2.010 20 30 CEEDHN C=CCOCCN(C)CCNC(=O)[C@@H]1CCCC[C@@H]1C ZINC001266313289 802428482 /nfs/dbraw/zinc/42/84/82/802428482.db2.gz IPXMSPPRBLFDDX-LSDHHAIUSA-N 0 3 282.428 2.063 20 30 CEEDHN CC#CCCCC(=O)NCCN(C)C[C@@H]1CC(C)(C)CO1 ZINC001266311606 802428714 /nfs/dbraw/zinc/42/87/14/802428714.db2.gz CPYQBFIIBLKUMD-HNNXBMFYSA-N 0 3 294.439 2.043 20 30 CEEDHN C=CCCCCCN1CC[C@H](NC(=O)c2csnn2)C1 ZINC001266333609 802451750 /nfs/dbraw/zinc/45/17/50/802451750.db2.gz QNMCAZFWACZGCH-LBPRGKRZSA-N 0 3 294.424 2.089 20 30 CEEDHN C=CCN(C)CCNC(=O)Cc1nsc2ccccc12 ZINC001266362329 802491222 /nfs/dbraw/zinc/49/12/22/802491222.db2.gz DEPWJYPBKYOFNE-UHFFFAOYSA-N 0 3 289.404 2.073 20 30 CEEDHN C=CCN1CCC(N(CCC)C(=O)C[C@](C)(O)C=C)CC1 ZINC001266386330 802513346 /nfs/dbraw/zinc/51/33/46/802513346.db2.gz AXYLGZOEEMEIHV-QGZVFWFLSA-N 0 3 294.439 2.203 20 30 CEEDHN C=CCN(CC)CCNC(=O)c1ccsc1COC ZINC001266399058 802527218 /nfs/dbraw/zinc/52/72/18/802527218.db2.gz JBUVFUOMQKDBGQ-UHFFFAOYSA-N 0 3 282.409 2.132 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)CCCC1CCOCC1 ZINC001266467832 802616441 /nfs/dbraw/zinc/61/64/41/802616441.db2.gz FCUQOTCSPMFKAJ-INIZCTEOSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OC ZINC001266478393 802624069 /nfs/dbraw/zinc/62/40/69/802624069.db2.gz MHAZUCGAIPUOBR-ZQDZILKHSA-N 0 3 280.412 2.051 20 30 CEEDHN CC#CCN[C@H]1CCN(C(=O)c2cn(C)c3ccccc23)C1 ZINC001266535938 802688648 /nfs/dbraw/zinc/68/86/48/802688648.db2.gz GNIYWNRSDNQXBW-AWEZNQCLSA-N 0 3 295.386 2.006 20 30 CEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)C2=CCCC2)C1 ZINC001039197422 802697449 /nfs/dbraw/zinc/69/74/49/802697449.db2.gz NWLAZLPQCFDENU-IRXDYDNUSA-N 0 3 286.419 2.433 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)[C@@H](C)CCC ZINC001266556146 802713862 /nfs/dbraw/zinc/71/38/62/802713862.db2.gz DTOZXLRPLJZGFG-AWEZNQCLSA-N 0 3 252.402 2.274 20 30 CEEDHN C#CCN(CCC)CCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC001266568096 802724086 /nfs/dbraw/zinc/72/40/86/802724086.db2.gz DRBFPSABQVBUCU-GJZGRUSLSA-N 0 3 264.413 2.274 20 30 CEEDHN C=CCC[NH2+]CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001204527627 802735935 /nfs/dbraw/zinc/73/59/35/802735935.db2.gz KNQCCZBVSAUIAX-UHFFFAOYSA-N 0 3 288.391 2.410 20 30 CEEDHN C=CCOCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C[C@H](F)CC ZINC001266646100 802811177 /nfs/dbraw/zinc/81/11/77/802811177.db2.gz UYPPQCFXUFWDQC-FFHGMXDLSA-N 0 3 298.402 2.049 20 30 CEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1(C)CCOCC1 ZINC001266856766 802947343 /nfs/dbraw/zinc/94/73/43/802947343.db2.gz XXPOJPOZRPXRIS-HNNXBMFYSA-N 0 3 294.439 2.350 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc[nH]c1CC ZINC001038227708 802992423 /nfs/dbraw/zinc/99/24/23/802992423.db2.gz RXQORCBNVMIWLU-ZDUSSCGKSA-N 0 3 275.396 2.347 20 30 CEEDHN C=C[C@H](CC)CC(=O)NC[C@@H](C)NC/C=C/Cl ZINC001266965839 803027451 /nfs/dbraw/zinc/02/74/51/803027451.db2.gz ZQQJXNBNSXXSPZ-BYAJROORSA-N 0 3 258.793 2.436 20 30 CEEDHN CC#CCN[C@@H](C)CNC(=O)c1cc2cc(F)ccc2o1 ZINC001266976605 803032630 /nfs/dbraw/zinc/03/26/30/803032630.db2.gz YMDIVKSWGUYBMD-NSHDSACASA-N 0 3 288.322 2.303 20 30 CEEDHN C=CCCCC(=O)N1CC[C@H](NC/C=C\Cl)C1 ZINC001267016136 803061778 /nfs/dbraw/zinc/06/17/78/803061778.db2.gz KCIFUCYEJRMIKT-JECSTDCCSA-N 0 3 256.777 2.286 20 30 CEEDHN CC#CCN[C@H]1CCN(C(=O)C[C@H]2CCc3ccccc32)C1 ZINC001267021356 803064662 /nfs/dbraw/zinc/06/46/62/803064662.db2.gz BQSNISDOUOJEHM-SJORKVTESA-N 0 3 296.414 2.320 20 30 CEEDHN C#CCN1CC[C@@H]2CCN(C(=O)CC3=CCCCC3)C[C@H]21 ZINC001041979345 803164826 /nfs/dbraw/zinc/16/48/26/803164826.db2.gz VNAREMDJTMQWBE-IAGOWNOFSA-N 0 3 286.419 2.433 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)C[C@H](C)c1cccnc1 ZINC001167588748 803168860 /nfs/dbraw/zinc/16/88/60/803168860.db2.gz ZLSOBZQZGKFBKC-LBPRGKRZSA-N 0 3 295.814 2.424 20 30 CEEDHN COC(=O)[C@H](CS)Nc1ccc2cnc(C)cc2c1 ZINC001167623558 803211626 /nfs/dbraw/zinc/21/16/26/803211626.db2.gz SBHZCLLUVCHYAO-ZDUSSCGKSA-N 0 3 276.361 2.427 20 30 CEEDHN C=CCN(C)CCNC(=O)[C@H]1CCCCC1(F)F ZINC001267209468 803234103 /nfs/dbraw/zinc/23/41/03/803234103.db2.gz AQKSGHCRDMBSLL-LLVKDONJSA-N 0 3 260.328 2.046 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CCC ZINC001115035385 813774488 /nfs/dbraw/zinc/77/44/88/813774488.db2.gz BGDNXGWNADDHAN-IGQOVBAYSA-N 0 3 250.386 2.045 20 30 CEEDHN C#CCCN(C)CCNC(=O)C(CC)(CC)CC ZINC001267224822 803251841 /nfs/dbraw/zinc/25/18/41/803251841.db2.gz MANYYTZDVVDUPF-UHFFFAOYSA-N 0 3 252.402 2.274 20 30 CEEDHN C#CCCN(C)CCNC(=O)[C@@H](F)CC1CCCCC1 ZINC001267226068 803254335 /nfs/dbraw/zinc/25/43/35/803254335.db2.gz MCSZWNBFDJCMHH-HNNXBMFYSA-N 0 3 282.403 2.366 20 30 CEEDHN C=CCN(CC)CCNC(=O)c1ccc(F)c(F)c1F ZINC001267248930 803290074 /nfs/dbraw/zinc/29/00/74/803290074.db2.gz KPXLCTNISYBDMR-UHFFFAOYSA-N 0 3 286.297 2.342 20 30 CEEDHN C=C(C)C(=O)NCCCNc1ccc2nc[nH]c2c1C ZINC001167670046 803320373 /nfs/dbraw/zinc/32/03/73/803320373.db2.gz YGBVDWLPTRBHCL-UHFFFAOYSA-N 0 3 272.352 2.366 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H]1CC12CC(O)C2 ZINC000724952866 803361016 /nfs/dbraw/zinc/36/10/16/803361016.db2.gz KIYHTPLLDVGMSX-OGVSOVDVSA-N 0 3 259.349 2.254 20 30 CEEDHN CCCC(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001267339725 803387472 /nfs/dbraw/zinc/38/74/72/803387472.db2.gz MBKPJGHTAIWHMG-UHFFFAOYSA-N 0 3 277.343 2.045 20 30 CEEDHN C#CCNCCN(C)C(=O)CCCc1ccccc1Cl ZINC001267379750 803441150 /nfs/dbraw/zinc/44/11/50/803441150.db2.gz KFTWCQWHRPYTPP-UHFFFAOYSA-N 0 3 292.810 2.344 20 30 CEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)C3CCC3)C(C)(C)[C@H]21 ZINC001087267648 803488981 /nfs/dbraw/zinc/48/89/81/803488981.db2.gz FDLDFSITHWNAQH-OAGGEKHMSA-N 0 3 288.435 2.415 20 30 CEEDHN N#Cc1cc(-n2nc(CN)c3ccccc32)ncc1Cl ZINC001167696276 803563950 /nfs/dbraw/zinc/56/39/50/803563950.db2.gz VWXCLARPWDSCNF-UHFFFAOYSA-N 0 3 283.722 2.404 20 30 CEEDHN C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001267624912 803630382 /nfs/dbraw/zinc/63/03/82/803630382.db2.gz FFNAWAPDVFTVCR-CQSZACIVSA-N 0 3 288.391 2.362 20 30 CEEDHN C=CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001267624912 803630388 /nfs/dbraw/zinc/63/03/88/803630388.db2.gz FFNAWAPDVFTVCR-CQSZACIVSA-N 0 3 288.391 2.362 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001038145121 803662954 /nfs/dbraw/zinc/66/29/54/803662954.db2.gz JAUHJFNOWJBSAY-GFCCVEGCSA-N 0 3 264.413 2.435 20 30 CEEDHN C=C(C)CNC(=O)[C@H](N)Cc1ccc(C(F)(F)F)cc1 ZINC001219879476 803684050 /nfs/dbraw/zinc/68/40/50/803684050.db2.gz GUDDKCMOGPOYAC-GFCCVEGCSA-N 0 3 286.297 2.268 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](C)CCC)C1 ZINC001267919687 803819342 /nfs/dbraw/zinc/81/93/42/803819342.db2.gz OZFAMCYTWPCBRV-UONOGXRCSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2C(C)(C)C2(C)C)C1 ZINC001027354289 804046701 /nfs/dbraw/zinc/04/67/01/804046701.db2.gz ZPJMQAJUFFXYIS-CYBMUJFWSA-N 0 3 276.424 2.225 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001027463034 804080722 /nfs/dbraw/zinc/08/07/22/804080722.db2.gz QETFLIZOFBXNRB-KGLIPLIRSA-N 0 3 264.413 2.225 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccnc(C3CC3)c2)C1 ZINC001027480731 804084488 /nfs/dbraw/zinc/08/44/88/804084488.db2.gz LRSKUGJCGQVXNN-INIZCTEOSA-N 0 3 297.402 2.129 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001027570681 804129329 /nfs/dbraw/zinc/12/93/29/804129329.db2.gz AMCYLTYHMYTTLP-KGLIPLIRSA-N 0 3 298.377 2.368 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2ccc(CC)cc2)C1 ZINC001027595086 804144319 /nfs/dbraw/zinc/14/43/19/804144319.db2.gz UYAYNFFIZQBNCX-GOSISDBHSA-N 0 3 298.430 2.348 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001027607490 804152078 /nfs/dbraw/zinc/15/20/78/804152078.db2.gz XMECWSHJOUBPMP-CABCVRRESA-N 0 3 288.391 2.248 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(C)c(CC)o2)C1 ZINC001027645637 804174900 /nfs/dbraw/zinc/17/49/00/804174900.db2.gz JVIUZLGBYQOHHP-AWEZNQCLSA-N 0 3 288.391 2.320 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001027657525 804182120 /nfs/dbraw/zinc/18/21/20/804182120.db2.gz PKFYQUJSIPWLCV-OKZBNKHCSA-N 0 3 296.414 2.346 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(C)c2C)C1 ZINC001027668878 804187397 /nfs/dbraw/zinc/18/73/97/804187397.db2.gz XTPZUDUKNSDPTB-MRXNPFEDSA-N 0 3 284.403 2.473 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(CC)cc2)C1 ZINC001027668863 804187996 /nfs/dbraw/zinc/18/79/96/804187996.db2.gz XRGACSWHCGJMDO-KRWDZBQOSA-N 0 3 284.403 2.419 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001027809496 804270121 /nfs/dbraw/zinc/27/01/21/804270121.db2.gz WDWFWKZRTRQKFK-KBXIAJHMSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCCOCC(=O)N1CCC2(CN(CC(=C)C)C2)CC1 ZINC001268049321 804320682 /nfs/dbraw/zinc/32/06/82/804320682.db2.gz YAARDLZKKJSITN-UHFFFAOYSA-N 0 3 292.423 2.080 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1conc1C(C)C ZINC001027929913 804348548 /nfs/dbraw/zinc/34/85/48/804348548.db2.gz KXNJKKFKLSIPFD-ZDUSSCGKSA-N 0 3 289.379 2.016 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccc2nccnc21 ZINC001038846043 804399392 /nfs/dbraw/zinc/39/93/92/804399392.db2.gz OCIBRCDAFQMPJY-ZDUSSCGKSA-N 0 3 296.374 2.010 20 30 CEEDHN N#C[C@H]1CC[C@H](Nc2ccc3c(n2)CNCC3)CC1 ZINC001167842479 804449179 /nfs/dbraw/zinc/44/91/79/804449179.db2.gz KSQDJJOWEDWAPE-AULYBMBSSA-N 0 3 256.353 2.222 20 30 CEEDHN C=CCCN1C[C@@H]2CCN(C(=O)c3cnc(C)s3)[C@@H]2C1 ZINC001075603617 804500242 /nfs/dbraw/zinc/50/02/42/804500242.db2.gz AEXIDAPLYJCUHB-QWHCGFSZSA-N 0 3 291.420 2.174 20 30 CEEDHN C#CCOc1ccc(C(=O)NC[C@@H]2CCCN2CC=C)cc1 ZINC001028183126 804519070 /nfs/dbraw/zinc/51/90/70/804519070.db2.gz MVOVSVBYPMRJHO-INIZCTEOSA-N 0 3 298.386 2.079 20 30 CEEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)CC1CC1 ZINC001268431398 804667597 /nfs/dbraw/zinc/66/75/97/804667597.db2.gz QTTTWZCTJJSSSK-UHFFFAOYSA-N 0 3 285.391 2.296 20 30 CEEDHN C#CCNCCN(CC)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001268464157 804705686 /nfs/dbraw/zinc/70/56/86/804705686.db2.gz DRKJJLMTYYTVQS-CABCVRRESA-N 0 3 276.424 2.296 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccn1C(C)C ZINC001028321840 804712492 /nfs/dbraw/zinc/71/24/92/804712492.db2.gz QVXVAHKBCZBFJZ-AWEZNQCLSA-N 0 3 275.396 2.449 20 30 CEEDHN CC#CCNCCN(CC)C(=O)c1cc[nH]c1C(C)C ZINC001268473372 804720502 /nfs/dbraw/zinc/72/05/02/804720502.db2.gz UPTHJOGKGFVPPD-UHFFFAOYSA-N 0 3 275.396 2.213 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cccc2c1CCC2 ZINC001028346123 804723246 /nfs/dbraw/zinc/72/32/46/804723246.db2.gz UJCDEHUDFNCHRQ-INIZCTEOSA-N 0 3 296.414 2.393 20 30 CEEDHN C#CCNCCN(CC)C(=O)Cc1ccc(F)c(Cl)c1 ZINC001268483289 804736122 /nfs/dbraw/zinc/73/61/22/804736122.db2.gz DXASEPLOYNSESG-UHFFFAOYSA-N 0 3 296.773 2.093 20 30 CEEDHN CC#CCNC/C=C/CNC(=O)[C@H](C)CCCC ZINC001268537939 804810311 /nfs/dbraw/zinc/81/03/11/804810311.db2.gz YQWPEYNNLMUYDT-MYSGNRETSA-N 0 3 250.386 2.098 20 30 CEEDHN N#CCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000426430488 804823484 /nfs/dbraw/zinc/82/34/84/804823484.db2.gz AAWYXAIHXJYRMN-OAHLLOKOSA-N 0 3 286.379 2.036 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccsc2C)C1 ZINC001028531207 804832490 /nfs/dbraw/zinc/83/24/90/804832490.db2.gz CXBMGNAWNCVHQO-ZDUSSCGKSA-N 0 3 276.405 2.132 20 30 CEEDHN C=CCCCN1C[C@@H](NC(=O)c2ccsc2)[C@H](OC)C1 ZINC001211822924 804851206 /nfs/dbraw/zinc/85/12/06/804851206.db2.gz NUGSGXWAMAAHDQ-ZIAGYGMSSA-N 0 3 294.420 2.143 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2CCCCCC2)[C@@H](O)C1 ZINC001083367748 804873623 /nfs/dbraw/zinc/87/36/23/804873623.db2.gz QUYVVUISAPHCTF-CVEARBPZSA-N 0 3 294.439 2.084 20 30 CEEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167941320 804884093 /nfs/dbraw/zinc/88/40/93/804884093.db2.gz PITUKDWODXPDKO-HLPPOEQASA-N 0 3 287.407 2.320 20 30 CEEDHN C=CCN(C)C[C@@H](C)NC(=O)CCCC1CCOCC1 ZINC001268732297 804949549 /nfs/dbraw/zinc/94/95/49/804949549.db2.gz IBQIUPYQJNMKKM-CQSZACIVSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCN(C)C[C@H](C)NC(=O)[C@H](C)c1cccc(OC)c1 ZINC001268760294 804962160 /nfs/dbraw/zinc/96/21/60/804962160.db2.gz UHYCOUZNZAABKI-UONOGXRCSA-N 0 3 290.407 2.421 20 30 CEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc(C)n(C(C)C)n1 ZINC001268766967 804964934 /nfs/dbraw/zinc/96/49/34/804964934.db2.gz XCPLXQMCOKPKBT-GFCCVEGCSA-N 0 3 278.400 2.009 20 30 CEEDHN C#CCCN1CC(CNC(=O)CCc2cc(C)cc(C)c2)C1 ZINC001268896156 804995702 /nfs/dbraw/zinc/99/57/02/804995702.db2.gz KJPFYALXEGMERH-UHFFFAOYSA-N 0 3 298.430 2.307 20 30 CEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C ZINC001268984076 805017667 /nfs/dbraw/zinc/01/76/67/805017667.db2.gz RCVYYRQVDOOROZ-STQMWFEESA-N 0 3 250.386 2.284 20 30 CEEDHN C=C(C)CCC(=O)N[C@@H]1CCN(CCCOC(C)C)C1 ZINC001269134641 805058789 /nfs/dbraw/zinc/05/87/89/805058789.db2.gz QHAOEWULSKIBTO-OAHLLOKOSA-N 0 3 282.428 2.348 20 30 CEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc(C)c(C)o3)[C@@H]2C1 ZINC001075689900 805100575 /nfs/dbraw/zinc/10/05/75/805100575.db2.gz XTULPQQHTMXJQR-LSDHHAIUSA-N 0 3 286.375 2.066 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](CCC)OCC)C1 ZINC001269268614 805106310 /nfs/dbraw/zinc/10/63/10/805106310.db2.gz OIFGYGSESQHSJX-CABCVRRESA-N 0 3 282.428 2.300 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CCn1cccc1 ZINC001269327521 805130478 /nfs/dbraw/zinc/13/04/78/805130478.db2.gz XIMXABRMAMGVPC-HNNXBMFYSA-N 0 3 275.396 2.035 20 30 CEEDHN C#CCNC1(CNC(=O)[C@@H](c2ccccc2)C2CC2)CC1 ZINC001269451963 805168694 /nfs/dbraw/zinc/16/86/94/805168694.db2.gz VMFBWHZXMKYMIM-INIZCTEOSA-N 0 3 282.387 2.052 20 30 CEEDHN CC#CCNC1(CNC(=O)c2scnc2C(C)C)CC1 ZINC001269506265 805182743 /nfs/dbraw/zinc/18/27/43/805182743.db2.gz UCGZRVIVNMGGGL-UHFFFAOYSA-N 0 3 291.420 2.142 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccccc2CC)C1 ZINC001028765011 805223247 /nfs/dbraw/zinc/22/32/47/805223247.db2.gz PTNUWNXJJIJUBW-OAHLLOKOSA-N 0 3 284.403 2.324 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001028815141 805274658 /nfs/dbraw/zinc/27/46/58/805274658.db2.gz KDOGMQMCXJRZFU-BZUAXINKSA-N 0 3 276.424 2.130 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cccc3cc[nH]c32)C1 ZINC001028814508 805274885 /nfs/dbraw/zinc/27/48/85/805274885.db2.gz BPSIRQFEKAOTIR-AWEZNQCLSA-N 0 3 295.386 2.243 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(C)cc2Cl)C1 ZINC001028821507 805280166 /nfs/dbraw/zinc/28/01/66/805280166.db2.gz XHLOPAANYRRWST-CYBMUJFWSA-N 0 3 290.794 2.333 20 30 CEEDHN C#Cc1ccccc1CC(=O)NC1(C)CCN(CC=C)CC1 ZINC001270260988 805385847 /nfs/dbraw/zinc/38/58/47/805385847.db2.gz KSVWUJWLUSIVAS-UHFFFAOYSA-N 0 3 296.414 2.367 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H](C)C2CC2)C1 ZINC001270565732 805470936 /nfs/dbraw/zinc/47/09/36/805470936.db2.gz FWUKKMHKSPMCGB-SWLSCSKDSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C(C)CN1CCC(N2C(=O)N[C@](C)(CCC)C2=O)CC1 ZINC000348884677 807005802 /nfs/dbraw/zinc/00/58/02/807005802.db2.gz OINIFZFDPFXRNT-MRXNPFEDSA-N 0 3 293.411 2.138 20 30 CEEDHN CC(C)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCCC#N ZINC001119322288 815090799 /nfs/dbraw/zinc/09/07/99/815090799.db2.gz NTNHZDMJUOXHQT-HZPDHXFCSA-N 0 3 287.407 2.391 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)[C@H]1C ZINC001088868452 807242720 /nfs/dbraw/zinc/24/27/20/807242720.db2.gz FVSRYAYWMPODRM-TUVASFSCSA-N 0 3 264.413 2.434 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C)n2)CC(C)(C)C1 ZINC001089321922 807695953 /nfs/dbraw/zinc/69/59/53/807695953.db2.gz UNNXYTGNHWWKMH-HNNXBMFYSA-N 0 3 299.418 2.244 20 30 CEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@H](O)CC1 ZINC001122548914 807709549 /nfs/dbraw/zinc/70/95/49/807709549.db2.gz WLEFQTHTJHJXTJ-LSDHHAIUSA-N 0 3 284.444 2.438 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)Cc2ccccc2)CC(C)(C)C1 ZINC001089423738 807967763 /nfs/dbraw/zinc/96/77/63/807967763.db2.gz NLZIUSGZIIGLPU-QGZVFWFLSA-N 0 3 298.430 2.469 20 30 CEEDHN C#CCCN1CC(CNC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001032005824 808239902 /nfs/dbraw/zinc/23/99/02/808239902.db2.gz QQACBBUUDFVZBM-HOTGVXAUSA-N 0 3 288.435 2.274 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2c(F)cccc2F)C1 ZINC001032150053 808310115 /nfs/dbraw/zinc/31/01/15/808310115.db2.gz WXUSCJIIPREIPQ-UHFFFAOYSA-N 0 3 280.318 2.203 20 30 CEEDHN C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCCC1 ZINC001032317176 808434221 /nfs/dbraw/zinc/43/42/21/808434221.db2.gz PVYSTDJJPOXSHQ-BPUTZDHNSA-N 0 3 289.423 2.402 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC=CC1 ZINC001032326210 808459521 /nfs/dbraw/zinc/45/95/21/808459521.db2.gz NFZDKLNYIPAGSV-GJZGRUSLSA-N 0 3 260.381 2.204 20 30 CEEDHN C=CCCC(=O)N[C@@H]1CN(CC=C)CC2(CCOCC2)C1 ZINC001099569799 808473812 /nfs/dbraw/zinc/47/38/12/808473812.db2.gz GTKSZZPYTMCWLJ-HNNXBMFYSA-N 0 3 292.423 2.126 20 30 CEEDHN CN1CC[C@@]2(CCCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC001272910911 808856963 /nfs/dbraw/zinc/85/69/63/808856963.db2.gz GSNRTRQBPYYCEV-GOSISDBHSA-N 0 3 297.402 2.393 20 30 CEEDHN N#Cc1ccccc1N1CCCN(CCOC2CC2)CC1 ZINC000929264568 809031291 /nfs/dbraw/zinc/03/12/91/809031291.db2.gz VYSKWTPHEZRITN-UHFFFAOYSA-N 0 3 285.391 2.249 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc3nccn32)C1 ZINC001033263429 809253184 /nfs/dbraw/zinc/25/31/84/809253184.db2.gz JCJLGNITEKFJCA-CQSZACIVSA-N 0 3 298.390 2.057 20 30 CEEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H]2CCC(C)(C)CO2)C1 ZINC001033277618 809256917 /nfs/dbraw/zinc/25/69/17/809256917.db2.gz ZGHVZLLWDFJSCM-GJZGRUSLSA-N 0 3 294.439 2.300 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001033371827 809286471 /nfs/dbraw/zinc/28/64/71/809286471.db2.gz XCEXOMSICGILMI-KBPBESRZSA-N 0 3 298.377 2.368 20 30 CEEDHN C=C1CCC(C(=O)NC[C@H]2CCCCN2C)CC1 ZINC001120810385 815279024 /nfs/dbraw/zinc/27/90/24/815279024.db2.gz RLTAJJPWBJANIL-CQSZACIVSA-N 0 3 250.386 2.333 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cnn3ccccc23)C1 ZINC001033509459 809320186 /nfs/dbraw/zinc/32/01/86/809320186.db2.gz JTWWONLYIHQQRR-CQSZACIVSA-N 0 3 298.390 2.057 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2c(F)cccc2F)C1 ZINC001033612893 809353035 /nfs/dbraw/zinc/35/30/35/809353035.db2.gz HXIICRSIVSVJFD-LBPRGKRZSA-N 0 3 292.329 2.134 20 30 CEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2sccc2OC)C1 ZINC001033608791 809361657 /nfs/dbraw/zinc/36/16/57/809361657.db2.gz DUONDDNEVWDVIZ-LBPRGKRZSA-N 0 3 294.420 2.479 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(C)nc2C)C1 ZINC001033680435 809377566 /nfs/dbraw/zinc/37/75/66/809377566.db2.gz LGZPGSMYHKDBKG-OAHLLOKOSA-N 0 3 287.407 2.421 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C)c(C)o2)C1 ZINC001033802893 809423842 /nfs/dbraw/zinc/42/38/42/809423842.db2.gz OMEZDMXGBVBEEJ-HNNXBMFYSA-N 0 3 288.391 2.456 20 30 CEEDHN C#C[C@H](NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)C(C)(C)C ZINC000702255855 809522840 /nfs/dbraw/zinc/52/28/40/809522840.db2.gz KDJCMDMPONLYAQ-RQJABVFESA-N 0 3 264.413 2.412 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)C2(c3cccnc3)CC2)C1 ZINC001034368398 809587564 /nfs/dbraw/zinc/58/75/64/809587564.db2.gz NJYGIKSQUUKBJF-INIZCTEOSA-N 0 3 299.418 2.270 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)C2(c3cccnc3)CC2)C1 ZINC001034368399 809588131 /nfs/dbraw/zinc/58/81/31/809588131.db2.gz NJYGIKSQUUKBJF-MRXNPFEDSA-N 0 3 299.418 2.270 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)C2CCC(OC)CC2)C1 ZINC001034374331 809589158 /nfs/dbraw/zinc/58/91/58/809589158.db2.gz ZPMOXJWFAGMDAU-PCKAHOCUSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2occc2C)C1 ZINC001034381370 809594013 /nfs/dbraw/zinc/59/40/13/809594013.db2.gz BCAYNLYWGFHCSJ-AWEZNQCLSA-N 0 3 276.380 2.287 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC001034402812 809602266 /nfs/dbraw/zinc/60/22/66/809602266.db2.gz USXPCTRXUWOHDC-CQSZACIVSA-N 0 3 290.411 2.187 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC001034527885 809625472 /nfs/dbraw/zinc/62/54/72/809625472.db2.gz NCNAURYJGWTKHO-AWEZNQCLSA-N 0 3 275.396 2.484 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2csc(C)n2)C1 ZINC001034522253 809627036 /nfs/dbraw/zinc/62/70/36/809627036.db2.gz ULAIQJLZORXNNO-ZDUSSCGKSA-N 0 3 293.436 2.151 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCCCO1)CC2 ZINC001035689147 809803300 /nfs/dbraw/zinc/80/33/00/809803300.db2.gz XWEATXMWJWMCFM-HNNXBMFYSA-N 0 3 292.423 2.056 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1cccnc1)CC2 ZINC001035688553 809804092 /nfs/dbraw/zinc/80/40/92/809804092.db2.gz PRTJTCGWDDCLIB-UHFFFAOYSA-N 0 3 299.418 2.125 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H](C)C1CCC1)CC2 ZINC001035730608 809809024 /nfs/dbraw/zinc/80/90/24/809809024.db2.gz RLRWIQMJLWOJTH-OAHLLOKOSA-N 0 3 288.435 2.370 20 30 CEEDHN CCC(=O)N1CC[C@@H]2[C@H](CCN2Cc2ccccc2C#N)C1 ZINC001036609248 809963510 /nfs/dbraw/zinc/96/35/10/809963510.db2.gz XPUZPNVPRQHXJU-IAGOWNOFSA-N 0 3 297.402 2.391 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCC1CCC2(CC2)CC1 ZINC000709973436 809977105 /nfs/dbraw/zinc/97/71/05/809977105.db2.gz YACOUZQMCKTLKN-CYBMUJFWSA-N 0 3 263.385 2.094 20 30 CEEDHN C#CCNC1(CNC(=O)c2cc3occc3s2)CCC1 ZINC001273154184 810053621 /nfs/dbraw/zinc/05/36/21/810053621.db2.gz KFQIHAQVWSZFGL-UHFFFAOYSA-N 0 3 288.372 2.370 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccccc2)C1 ZINC001079366007 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C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001080429950 810277745 /nfs/dbraw/zinc/27/77/45/810277745.db2.gz OERIPARHSASPOB-HZSPNIEDSA-N 0 3 290.432 2.311 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001080429530 810278047 /nfs/dbraw/zinc/27/80/47/810278047.db2.gz CEWMYNMNBSGXCN-HZSPNIEDSA-N 0 3 276.380 2.396 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001015485984 810295690 /nfs/dbraw/zinc/29/56/90/810295690.db2.gz AOQIUCSZNXAYCE-HNNXBMFYSA-N 0 3 288.366 2.270 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001080815546 810308908 /nfs/dbraw/zinc/30/89/08/810308908.db2.gz VXUZUKQUFQUGLH-KLHDSHLOSA-N 0 3 276.424 2.273 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2cc(C)ccc2F)C1 ZINC001080820141 810309936 /nfs/dbraw/zinc/30/99/36/810309936.db2.gz QPMWUEOISDHOHK-CZUORRHYSA-N 0 3 290.382 2.299 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC001080839838 810310667 /nfs/dbraw/zinc/31/06/67/810310667.db2.gz CSPVQRXIRZFXSE-BXUZGUMPSA-N 0 3 292.329 2.038 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001015630591 810320331 /nfs/dbraw/zinc/32/03/31/810320331.db2.gz CIOARODDTQYZKT-KRWDZBQOSA-N 0 3 284.403 2.467 20 30 CEEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2scnc2Cl)C1 ZINC001080952958 810321218 /nfs/dbraw/zinc/32/12/18/810321218.db2.gz PGAJJAOFACEXHF-NXEZZACHSA-N 0 3 299.827 2.423 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001015646481 810322510 /nfs/dbraw/zinc/32/25/10/810322510.db2.gz SRHSATGRDYTDRX-HNNXBMFYSA-N 0 3 290.794 2.096 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cncc3ccccc32)C1 ZINC001080987139 810323443 /nfs/dbraw/zinc/32/34/43/810323443.db2.gz OYBGEYLQUVJMQN-CXAGYDPISA-N 0 3 295.386 2.471 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)CCC)C[C@H]1c1ccccc1 ZINC001081079088 810330019 /nfs/dbraw/zinc/33/00/19/810330019.db2.gz JSDDNROGWUACFG-JKSUJKDBSA-N 0 3 270.376 2.004 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)C2CCCCCC2)[C@H](OC)C1 ZINC001081418088 810338760 /nfs/dbraw/zinc/33/87/60/810338760.db2.gz GMVHMDXUDLEDFO-HZPDHXFCSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C(C)C)nc2C)C1 ZINC001015719010 810339012 /nfs/dbraw/zinc/33/90/12/810339012.db2.gz FKCOBAQTDSXLAW-HNNXBMFYSA-N 0 3 299.418 2.341 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001015727712 810341400 /nfs/dbraw/zinc/34/14/00/810341400.db2.gz AVMYSMDANAUFOG-QLFBSQMISA-N 0 3 264.413 2.435 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC001016092843 810399788 /nfs/dbraw/zinc/39/97/88/810399788.db2.gz MEYOUULUWRBMIP-HNNXBMFYSA-N 0 3 287.407 2.133 20 30 CEEDHN CCCCCCCC[C@@H](N)C(=O)NCc1[nH]cnc1C ZINC001121926764 815367288 /nfs/dbraw/zinc/36/72/88/815367288.db2.gz RWEJSABNYMFSSP-CYBMUJFWSA-N 0 3 280.416 2.412 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(N(C)C)c2)C1 ZINC001016099117 810400685 /nfs/dbraw/zinc/40/06/85/810400685.db2.gz UYAJRNGOAMILJU-HNNXBMFYSA-N 0 3 287.407 2.133 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCC[C@]2(CNC(=O)O2)C1 ZINC001172319742 815370280 /nfs/dbraw/zinc/37/02/80/815370280.db2.gz QURGMAQYEWNDGQ-GUYCJALGSA-N 0 3 299.374 2.064 20 30 CEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)CC(C)(C)C)[C@H]2C1 ZINC001083001901 810420400 /nfs/dbraw/zinc/42/04/00/810420400.db2.gz JCVWSZJROJHFBN-LSDHHAIUSA-N 0 3 294.439 2.300 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001016320235 810422051 /nfs/dbraw/zinc/42/20/51/810422051.db2.gz LMAKCDHKMRYRJU-HOTGVXAUSA-N 0 3 284.403 2.312 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCC3CC3)[C@@H]2C1 ZINC001084240223 810449374 /nfs/dbraw/zinc/44/93/74/810449374.db2.gz VWDOXRLNNSDLCH-HUUCEWRRSA-N 0 3 262.397 2.285 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C2=CCCCCC2)CC1 ZINC001016585076 810455123 /nfs/dbraw/zinc/45/51/23/810455123.db2.gz KKCPMNHFMUSYLL-INIZCTEOSA-N 0 3 286.419 2.481 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C(C)=C2CCC2)CC1 ZINC001016617696 810455574 /nfs/dbraw/zinc/45/55/74/810455574.db2.gz IFAPQXIPOMSADD-OAHLLOKOSA-N 0 3 272.392 2.091 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)[C@H](CC)SC)[C@@H]2C1 ZINC001084284597 810458677 /nfs/dbraw/zinc/45/86/77/810458677.db2.gz IBLTTXQKAJLLIP-MCIONIFRSA-N 0 3 282.453 2.237 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C2C=CC=CC=C2)CC1 ZINC001016646957 810460032 /nfs/dbraw/zinc/46/00/32/810460032.db2.gz VUSQKVAXTAISRV-QGZVFWFLSA-N 0 3 296.414 2.279 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)/C=C(\C)C3CC3)C2)C1 ZINC001041111172 810463136 /nfs/dbraw/zinc/46/31/36/810463136.db2.gz NXPFEKXHFJDOIZ-NKAIQICCSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccn(CC)c2C)CC1 ZINC001016787897 810468148 /nfs/dbraw/zinc/46/81/48/810468148.db2.gz ACPKXAWUFKXZNP-MRXNPFEDSA-N 0 3 299.418 2.034 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2cc(C)co2)CC1 ZINC001016783921 810468298 /nfs/dbraw/zinc/46/82/98/810468298.db2.gz STXAGZREDOKATJ-HNNXBMFYSA-N 0 3 286.375 2.196 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3Cc4ccccc43)[C@@H]2C1 ZINC001084619620 810489810 /nfs/dbraw/zinc/48/98/10/810489810.db2.gz 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/nfs/dbraw/zinc/66/63/60/810666360.db2.gz YETFBWADAJACNO-ZFWWWQNUSA-N 0 3 284.359 2.340 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC001018977412 810667741 /nfs/dbraw/zinc/66/77/41/810667741.db2.gz IHPKCNQWINUCIM-AWEZNQCLSA-N 0 3 262.397 2.027 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@H](NCc2cnc(C)s2)C1 ZINC001019236946 810686611 /nfs/dbraw/zinc/68/66/11/810686611.db2.gz JSBBTCDGTGGPLI-LBPRGKRZSA-N 0 3 293.436 2.354 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](NCc2cccnc2)C1 ZINC001019332384 810700892 /nfs/dbraw/zinc/70/08/92/810700892.db2.gz ORVPPWUFVOSOEH-RDJZCZTQSA-N 0 3 287.407 2.374 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2c(F)ccc(F)c2Cl)C1 ZINC001019423368 810708589 /nfs/dbraw/zinc/70/85/89/810708589.db2.gz DTIUPRRMMBUCFH-VIFPVBQESA-N 0 3 298.720 2.056 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc3cc(F)ccc3o2)C1 ZINC001019454479 810712068 /nfs/dbraw/zinc/71/20/68/810712068.db2.gz ZQYOTIBJJZHQQB-ZDUSSCGKSA-N 0 3 286.306 2.009 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)N(CC)CC#CCOC 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ZINC001038293552 810818596 /nfs/dbraw/zinc/81/85/96/810818596.db2.gz VEUGCWNQPHPPSU-HNNXBMFYSA-N 0 3 273.380 2.079 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1C=CC=CC=C1 ZINC001038303830 810819699 /nfs/dbraw/zinc/81/96/99/810819699.db2.gz CNBGDBUHHJWJAA-MRXNPFEDSA-N 0 3 272.392 2.442 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c(C)[nH]nc1Cl ZINC001038336755 810824000 /nfs/dbraw/zinc/82/40/00/810824000.db2.gz VFZGGSUEPFWBBI-LLVKDONJSA-N 0 3 296.802 2.142 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1nccn1CC ZINC001085570835 810833955 /nfs/dbraw/zinc/83/39/55/810833955.db2.gz RBVMNHBGLTUFJB-CQSZACIVSA-N 0 3 290.411 2.016 20 30 CEEDHN C=CCn1ncc2ccc(NC(=O)[C@]34C[C@H]3CCCN4)cc21 ZINC001122315048 815401819 /nfs/dbraw/zinc/40/18/19/815401819.db2.gz ICZUWHVTPXERBR-DYVFJYSZSA-N 0 3 296.374 2.303 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)C[C@H]1CCN1C(C)C ZINC001085640654 810861856 /nfs/dbraw/zinc/86/18/56/810861856.db2.gz RBZCBWZYJAKETR-CQSZACIVSA-N 0 3 275.396 2.229 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]ccc2n1 ZINC001085721171 810890625 /nfs/dbraw/zinc/89/06/25/810890625.db2.gz OMNKHOULTSEXTL-CYBMUJFWSA-N 0 3 298.390 2.285 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001038906840 810944448 /nfs/dbraw/zinc/94/44/48/810944448.db2.gz SLNCBAYTTVZKEK-AWEZNQCLSA-N 0 3 287.407 2.274 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCN2CC2CCCC2)nc1 ZINC001038933525 810949382 /nfs/dbraw/zinc/94/93/82/810949382.db2.gz XTSVUEYCUWZJKB-MRXNPFEDSA-N 0 3 297.402 2.057 20 30 CEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)/C=C\C2CC2)C1 ZINC001039196118 810997511 /nfs/dbraw/zinc/99/75/11/810997511.db2.gz RPRXYRNZPYTQGB-JIPXFFRKSA-N 0 3 286.419 2.289 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(CC=C(C)C)C[C@@H]1O ZINC001100019302 811002324 /nfs/dbraw/zinc/00/23/24/811002324.db2.gz CRMIHWHDLSBLCD-GJZGRUSLSA-N 0 3 294.439 2.106 20 30 CEEDHN CC[C@@H](C)CC(=O)N[C@@H]1CCCN(CC#CCOC)CC1 ZINC001273408696 811057647 /nfs/dbraw/zinc/05/76/47/811057647.db2.gz DAPUDGAYEBGUJY-HZPDHXFCSA-N 0 3 294.439 2.043 20 30 CEEDHN C=C(Br)CN[C@@H](CO)C1CCCCC1 ZINC000379607276 811112298 /nfs/dbraw/zinc/11/22/98/811112298.db2.gz RAUWQTOGVWOKOA-NSHDSACASA-N 0 3 262.191 2.426 20 30 CEEDHN CCC1(CC(=O)C(C#N)C(=O)Nc2ccccc2)COC1 ZINC001122541147 815422760 /nfs/dbraw/zinc/42/27/60/815422760.db2.gz LGMQLNYTOAMSQV-ZDUSSCGKSA-N 0 3 286.331 2.151 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3ccoc3CC)C2)C1 ZINC001041242814 811154498 /nfs/dbraw/zinc/15/44/98/811154498.db2.gz CAKRXZDZHROYCR-QGZVFWFLSA-N 0 3 286.375 2.013 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@]3(C)C=CCC3)C2)C1 ZINC001041556787 811176124 /nfs/dbraw/zinc/17/61/24/811176124.db2.gz CFPJMXSWIWNOKZ-MSOLQXFVSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3cc[nH]c3C(C)C)C2)C1 ZINC001041584246 811177935 /nfs/dbraw/zinc/17/79/35/811177935.db2.gz YNJLZURUDQLONM-SFHVURJKSA-N 0 3 299.418 2.309 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@H](C)C3CCCC3)C2)C1 ZINC001041782501 811192717 /nfs/dbraw/zinc/19/27/17/811192717.db2.gz ZPNGGEFTZCYNCT-CRAIPNDOSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)c3cccn3CC)C2)C1 ZINC001041835585 811194663 /nfs/dbraw/zinc/19/46/63/811194663.db2.gz UZPXSHFXLVTBFL-GOSISDBHSA-N 0 3 299.418 2.069 20 30 CEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3ccoc3)C[C@@H]21 ZINC001041938590 811219777 /nfs/dbraw/zinc/21/97/77/811219777.db2.gz LFUOEFJLFMVUIC-ZFWWWQNUSA-N 0 3 274.364 2.392 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(C)n3C)C[C@H]21 ZINC001041936147 811219800 /nfs/dbraw/zinc/21/98/00/811219800.db2.gz XZODYZXUAKZNEH-GOEBONIOSA-N 0 3 287.407 2.056 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cncc(C)c3)C[C@@H]21 ZINC001041993781 811228541 /nfs/dbraw/zinc/22/85/41/811228541.db2.gz AUOZMIMPCNDAQN-ZBFHGGJFSA-N 0 3 285.391 2.112 20 30 CEEDHN C#CCN1CC[C@H]2CCN(C(=O)CCC3CCC3)C[C@H]21 ZINC001042001233 811230921 /nfs/dbraw/zinc/23/09/21/811230921.db2.gz UPBOCQZJLFCZJF-JKSUJKDBSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN1CC[C@H]2CCN(C(=O)CC(C)(C)C3CC3)C[C@H]21 ZINC001042046501 811236446 /nfs/dbraw/zinc/23/64/46/811236446.db2.gz MGQNXHQBMKFMRG-GOEBONIOSA-N 0 3 288.435 2.369 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)c3cc[nH]c3CC)C[C@@H]21 ZINC001042044448 811237202 /nfs/dbraw/zinc/23/72/02/811237202.db2.gz QHWMQWSZBKDLCM-YOEHRIQHSA-N 0 3 299.418 2.137 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)C3CC(C)(C)C3)C[C@H]21 ZINC001042049627 811238564 /nfs/dbraw/zinc/23/85/64/811238564.db2.gz KDHNCIXEEPELBM-GOEBONIOSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C)nc(C)c3)C[C@@H]21 ZINC001042073854 811242190 /nfs/dbraw/zinc/24/21/90/811242190.db2.gz BBWFBNXDJKKJLE-WBVHZDCISA-N 0 3 299.418 2.421 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3c(C)cncc3C)C[C@@H]21 ZINC001042147821 811247609 /nfs/dbraw/zinc/24/76/09/811247609.db2.gz DTWSDBZRLBQTHS-CVEARBPZSA-N 0 3 299.418 2.421 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ncc(C)cc3C)C[C@H]21 ZINC001042163124 811249251 /nfs/dbraw/zinc/24/92/51/811249251.db2.gz OPKBYDOWODGIRP-JKSUJKDBSA-N 0 3 299.418 2.421 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cocc3C)C[C@@H]21 ZINC001042180228 811250529 /nfs/dbraw/zinc/25/05/29/811250529.db2.gz SZCRRSXYSOCONV-HIFRSBDPSA-N 0 3 274.364 2.310 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C(F)F)C[C@H]21 ZINC001042227786 811258151 /nfs/dbraw/zinc/25/81/51/811258151.db2.gz MUCCFHILEVXGRB-CHWSQXEVSA-N 0 3 298.377 2.224 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)C3(C(C)C)CC3)C[C@H]21 ZINC001042228823 811259549 /nfs/dbraw/zinc/25/95/49/811259549.db2.gz ZAXQIDCDRZNLKH-JKSUJKDBSA-N 0 3 288.435 2.369 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3CC4(CC4)C3)C[C@H]21 ZINC001042230245 811259584 /nfs/dbraw/zinc/25/95/84/811259584.db2.gz PFNWKOFILUIUKG-GDBMZVCRSA-N 0 3 286.419 2.123 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cnn(CC(C)C)c1 ZINC001169269507 811475274 /nfs/dbraw/zinc/47/52/74/811475274.db2.gz WDPOQMSAWSKTSF-UHFFFAOYSA-N 0 3 298.818 2.001 20 30 CEEDHN C#CCN([C@@H]1CCc2ccccc21)[C@H]1CCN(C(C)=O)C1 ZINC001169553644 811563980 /nfs/dbraw/zinc/56/39/80/811563980.db2.gz ZIQRFDCVQGIAJT-FUHWJXTLSA-N 0 3 282.387 2.230 20 30 CEEDHN C#C[C@](C)(CC)NC[C@H](O)c1ccc(F)cc1F ZINC000384224608 811571316 /nfs/dbraw/zinc/57/13/16/811571316.db2.gz UQGBSZDARKULHP-UONOGXRCSA-N 0 3 253.292 2.390 20 30 CEEDHN C#C[C@](C)(CC)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000384232294 811589493 /nfs/dbraw/zinc/58/94/93/811589493.db2.gz XURYWRUZCWNZGJ-CQSZACIVSA-N 0 3 262.309 2.495 20 30 CEEDHN C=CC[NH+]1CCC(C)(NC(=O)c2ccccc2[O-])CC1 ZINC001045366096 811601875 /nfs/dbraw/zinc/60/18/75/811601875.db2.gz RPEHMCIUGSLJJL-UHFFFAOYSA-N 0 3 274.364 2.163 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2ccncc2C)CC1 ZINC001045427873 811611164 /nfs/dbraw/zinc/61/11/64/811611164.db2.gz WBMJSSJROIODMD-UHFFFAOYSA-N 0 3 273.380 2.160 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CCc3cccnc32)CC1 ZINC001045539127 811623983 /nfs/dbraw/zinc/62/39/83/811623983.db2.gz RTFYFSWNECLCHQ-HNNXBMFYSA-N 0 3 299.418 2.268 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2ocnc2C(F)F)CC1 ZINC001045556839 811625658 /nfs/dbraw/zinc/62/56/58/811625658.db2.gz MZJIUKCZAZDLOK-UHFFFAOYSA-N 0 3 299.321 2.383 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cnoc2CC)CC1 ZINC001045576639 811628223 /nfs/dbraw/zinc/62/82/23/811628223.db2.gz URIPEWSWUFPVQI-UHFFFAOYSA-N 0 3 277.368 2.007 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC001045612462 811631497 /nfs/dbraw/zinc/63/14/97/811631497.db2.gz GAFIOGCCKLXQFO-CABCVRRESA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCCC(=O)N[C@H](C)CCCCNCc1nccn1C ZINC001169713453 811639300 /nfs/dbraw/zinc/63/93/00/811639300.db2.gz OMVDDIDQFNGXSK-CQSZACIVSA-N 0 3 292.427 2.151 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)F)C2 ZINC001045906894 811660481 /nfs/dbraw/zinc/66/04/81/811660481.db2.gz LNOOHYUMRGSQIF-KRWDZBQOSA-N 0 3 294.414 2.462 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)SC)C2 ZINC001045918113 811665216 /nfs/dbraw/zinc/66/52/16/811665216.db2.gz HAXGMAUQOAUIGH-HOCLYGCPSA-N 0 3 294.464 2.076 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)/C(C)=C/C)C2 ZINC001045930447 811666654 /nfs/dbraw/zinc/66/66/54/811666654.db2.gz NZLLNQCWBKPOKJ-GYKBNXPHSA-N 0 3 274.408 2.290 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(C)nc2)C1 ZINC001046143446 811694802 /nfs/dbraw/zinc/69/48/02/811694802.db2.gz JGXLFVUDERGQQO-INIZCTEOSA-N 0 3 273.380 2.160 20 30 CEEDHN C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001046148490 811695695 /nfs/dbraw/zinc/69/56/95/811695695.db2.gz VCWAGTIPVIOTKH-MRXNPFEDSA-N 0 3 274.364 2.163 20 30 CEEDHN C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001046148490 811695699 /nfs/dbraw/zinc/69/56/99/811695699.db2.gz VCWAGTIPVIOTKH-MRXNPFEDSA-N 0 3 274.364 2.163 20 30 CEEDHN C=CCCN1CC[C@@](C)(NC(=O)c2scnc2C)C1 ZINC001046165555 811700401 /nfs/dbraw/zinc/70/04/01/811700401.db2.gz UQSSIPXYRZWUQO-CQSZACIVSA-N 0 3 279.409 2.222 20 30 CEEDHN CC(C)=CCN1CC[C@@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046221779 811711547 /nfs/dbraw/zinc/71/15/47/811711547.db2.gz VKBOBUQIEAZZFA-MRXNPFEDSA-N 0 3 286.379 2.047 20 30 CEEDHN N#CCC1(N[C@@H]2CCCC3(C2)OCCO3)CCCC1 ZINC001169936240 811716056 /nfs/dbraw/zinc/71/60/56/811716056.db2.gz PAXKVIVLFBZYJJ-CYBMUJFWSA-N 0 3 264.369 2.488 20 30 CEEDHN C=C(C)CCN1CC[C@@](C)(NC(=O)c2ccns2)C1 ZINC001046356174 811742763 /nfs/dbraw/zinc/74/27/63/811742763.db2.gz QSPXWGPFVSYYTR-CQSZACIVSA-N 0 3 279.409 2.304 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001046368738 811745150 /nfs/dbraw/zinc/74/51/50/811745150.db2.gz HQNJOKADJFKRGG-KRWDZBQOSA-N 0 3 285.391 2.110 20 30 CEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCC1)C2 ZINC001108847092 811776062 /nfs/dbraw/zinc/77/60/62/811776062.db2.gz MPTPSDRGVHVKRW-PMPSAXMXSA-N 0 3 292.423 2.101 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(C)C)C2 ZINC001108919414 811792742 /nfs/dbraw/zinc/79/27/42/811792742.db2.gz VQGWVTFEIYEFDF-ILXRZTDVSA-N 0 3 262.397 2.167 20 30 CEEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(C)=O)C2 ZINC001108932382 811797418 /nfs/dbraw/zinc/79/74/18/811797418.db2.gz YHVMUIFRKRQHRQ-PMPSAXMXSA-N 0 3 292.423 2.433 20 30 CEEDHN C#CCOc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC)cc1 ZINC001096126125 811816173 /nfs/dbraw/zinc/81/61/73/811816173.db2.gz NUPPKYYPYGGSMQ-PVAVHDDUSA-N 0 3 298.386 2.054 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2cc(F)cc(F)c2)C1 ZINC001046822224 811824759 /nfs/dbraw/zinc/82/47/59/811824759.db2.gz MKEZIDCSMSRDJD-INIZCTEOSA-N 0 3 292.329 2.182 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(F)(F)F)C2 ZINC001109119901 811825817 /nfs/dbraw/zinc/82/58/17/811825817.db2.gz VLAIPPYJFJRHNJ-WOPDTQHZSA-N 0 3 288.313 2.074 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cc3n(c2)CCCC3)C1 ZINC001046877646 811834696 /nfs/dbraw/zinc/83/46/96/811834696.db2.gz XOFVHOXJQGNMSR-GOSISDBHSA-N 0 3 299.418 2.042 20 30 CEEDHN CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC[C@H](C)F ZINC001109246181 811851206 /nfs/dbraw/zinc/85/12/06/811851206.db2.gz RKCGJGCFGZHKKL-XGUBFFRZSA-N 0 3 280.387 2.115 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1F)C2 ZINC001096240391 811905206 /nfs/dbraw/zinc/90/52/06/811905206.db2.gz VQDRHXQKFMVYRT-XBFCOCLRSA-N 0 3 289.354 2.132 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCC[C@@H](C)O ZINC001109604365 811915144 /nfs/dbraw/zinc/91/51/44/811915144.db2.gz FYOBUVDFYJPAPU-KBXIAJHMSA-N 0 3 294.439 2.081 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CF)CC1)C2 ZINC001109708257 811929348 /nfs/dbraw/zinc/92/93/48/811929348.db2.gz VZQXVXVOTCYBJE-AGIUHOORSA-N 0 3 266.360 2.034 20 30 CEEDHN CCC(=O)N1C[C@@H](C)[C@@H](CNCc2ccccc2C#N)C1 ZINC001048090008 811935810 /nfs/dbraw/zinc/93/58/10/811935810.db2.gz HUSNFHNFDRQJFL-CJNGLKHVSA-N 0 3 285.391 2.152 20 30 CEEDHN CC(C)CCC(=O)NCCNCc1ccc(C#N)cc1 ZINC001123228028 815491110 /nfs/dbraw/zinc/49/11/10/815491110.db2.gz HAYBNYRRQODUKR-UHFFFAOYSA-N 0 3 273.380 2.200 20 30 CEEDHN C=C(Cl)CNC1(CNC(=O)CCOC)CCCCC1 ZINC001115373330 812006930 /nfs/dbraw/zinc/00/69/30/812006930.db2.gz UGBMTDPIGAYOCW-UHFFFAOYSA-N 0 3 288.819 2.184 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C(C)(C)C(C)C)C[C@@H]2C1 ZINC001048840396 812035918 /nfs/dbraw/zinc/03/59/18/812035918.db2.gz PIGCKJNLXCZZDL-GASCZTMLSA-N 0 3 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0 3 274.408 2.124 20 30 CEEDHN CCOc1ccc(CNCc2ccc(C#N)cn2)c(O)c1 ZINC000780558029 814583379 /nfs/dbraw/zinc/58/33/79/814583379.db2.gz GXXAJOAYDMMTIS-UHFFFAOYSA-N 0 3 283.331 2.347 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)/C=C(\C)C2CC2)C1 ZINC001111627068 814591154 /nfs/dbraw/zinc/59/11/54/814591154.db2.gz FJXSJWURLRJAFQ-SPRNKHAWSA-N 0 3 286.419 2.337 20 30 CEEDHN CC#CCNCCNC(=O)C[C@@H]1CCCc2ccccc21 ZINC001148668952 814604529 /nfs/dbraw/zinc/60/45/29/814604529.db2.gz PTFGZZSIFTYBRL-INIZCTEOSA-N 0 3 284.403 2.226 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC(C)C)OC)C1 ZINC001111865832 814622174 /nfs/dbraw/zinc/62/21/74/814622174.db2.gz JASKUHUMUOKKBZ-UXLLHSPISA-N 0 3 294.439 2.204 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC(CC)CC)C1 ZINC001111914784 814632004 /nfs/dbraw/zinc/63/20/04/814632004.db2.gz IOBIVTNGQUVCHT-RDJZCZTQSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccco3)C2)CC1 ZINC001086898886 814646411 /nfs/dbraw/zinc/64/64/11/814646411.db2.gz 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ZINC001138625965 815846749 /nfs/dbraw/zinc/84/67/49/815846749.db2.gz YVBJEQOQOSLTQZ-CABCVRRESA-N 0 3 279.355 2.416 20 30 CEEDHN C=CCc1cccc(C[N@@H+](C)CCC(=O)OC)c1[O-] ZINC001138629696 815848754 /nfs/dbraw/zinc/84/87/54/815848754.db2.gz FTXFWOMPMDVMGX-UHFFFAOYSA-N 0 3 263.337 2.116 20 30 CEEDHN C=CCc1cccc(C[N@H+](C)CCC(=O)OC)c1[O-] ZINC001138629696 815848761 /nfs/dbraw/zinc/84/87/61/815848761.db2.gz FTXFWOMPMDVMGX-UHFFFAOYSA-N 0 3 263.337 2.116 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CCC[C@@](C)(O)C2)c1[O-] ZINC001138627970 815849532 /nfs/dbraw/zinc/84/95/32/815849532.db2.gz KUDFEFUGSZXENS-MRXNPFEDSA-N 0 3 261.365 2.468 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@](C)(O)C2)c1[O-] ZINC001138627970 815849539 /nfs/dbraw/zinc/84/95/39/815849539.db2.gz KUDFEFUGSZXENS-MRXNPFEDSA-N 0 3 261.365 2.468 20 30 CEEDHN COC(=O)CC[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC001139529382 816038765 /nfs/dbraw/zinc/03/87/65/816038765.db2.gz PQERRURTCNOHPR-LBPRGKRZSA-N 0 3 290.338 2.472 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)C1(CCOC)CCC1 ZINC001139869614 816131188 /nfs/dbraw/zinc/13/11/88/816131188.db2.gz NHCQGABZDWFXGY-UHFFFAOYSA-N 0 3 282.428 2.160 20 30 CEEDHN O=C1C=C2CN(Cc3ccc(O)cc3F)CCC2S1 ZINC001140125817 816194160 /nfs/dbraw/zinc/19/41/60/816194160.db2.gz JSXZTBNNAYWJSV-ZDUSSCGKSA-N 0 3 279.336 2.305 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)COc1cccc(C)c1 ZINC001175918713 816305335 /nfs/dbraw/zinc/30/53/35/816305335.db2.gz FKIAWZQRCMUNOH-UHFFFAOYSA-N 0 3 296.798 2.222 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001177211615 816527984 /nfs/dbraw/zinc/52/79/84/816527984.db2.gz HNDWEHBONVYAJD-SIMOQEFBSA-N 0 3 282.815 2.127 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cc(C)n(C(C)C)n1 ZINC001177601473 816590484 /nfs/dbraw/zinc/59/04/84/816590484.db2.gz XOQCWPVHTCYJQI-UHFFFAOYSA-N 0 3 298.818 2.234 20 30 CEEDHN N#Cc1ccc2c(CN3CCCOCC3)c[nH]c2c1 ZINC001142911981 816754970 /nfs/dbraw/zinc/75/49/70/816754970.db2.gz QNHCBOGZZSLIJE-UHFFFAOYSA-N 0 3 255.321 2.262 20 30 CEEDHN COC(=O)C1CCN(Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142916271 816755640 /nfs/dbraw/zinc/75/56/40/816755640.db2.gz QXDQIMWYADRCGP-UHFFFAOYSA-N 0 3 297.358 2.425 20 30 CEEDHN CN(C)C(=O)[C@@H]1CCCN1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922447 816757540 /nfs/dbraw/zinc/75/75/40/816757540.db2.gz HYOHAMUKWVWKCQ-INIZCTEOSA-N 0 3 296.374 2.092 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)CCC2CCC2)C1 ZINC001149471893 816865482 /nfs/dbraw/zinc/86/54/82/816865482.db2.gz BILRTUVSICCXLL-INIZCTEOSA-N 0 3 294.439 2.350 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CCC2CCC2)C1 ZINC001149471894 816865793 /nfs/dbraw/zinc/86/57/93/816865793.db2.gz BILRTUVSICCXLL-MRXNPFEDSA-N 0 3 294.439 2.350 20 30 CEEDHN CC#CCN(C)CCC(=O)Nc1ccc(OCC)cc1 ZINC000298089672 260143823 /nfs/dbraw/zinc/14/38/23/260143823.db2.gz ICRGBVPZGGXHSQ-UHFFFAOYSA-N 0 3 274.364 2.369 20 30 CEEDHN C[C@@H]1CN(C2CCN(Cc3ccccc3C#N)CC2)CCO1 ZINC000079496293 343981968 /nfs/dbraw/zinc/98/19/68/343981968.db2.gz FCUUGJHQNOIKOP-OAHLLOKOSA-N 0 3 299.418 2.243 20 30 CEEDHN CC(C#N)C(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000336284320 365546551 /nfs/dbraw/zinc/54/65/51/365546551.db2.gz ZWIODRQKHBAWDI-VIFPVBQESA-N 0 3 263.366 2.140 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C/C1CC1 ZINC000079609412 343986553 /nfs/dbraw/zinc/98/65/53/343986553.db2.gz DCHNARNBDDXRQL-MDZDMXLPSA-N 0 3 297.402 2.415 20 30 CEEDHN COc1ccc(-c2nnc(NC(=O)[C@H](C)N)s2)cc1 ZINC000033296568 361776899 /nfs/dbraw/zinc/77/68/99/361776899.db2.gz DSJFSFUXWJZCGL-ZETCQYMHSA-N 0 3 278.337 2.149 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)NCC ZINC000621346004 349569997 /nfs/dbraw/zinc/56/99/97/349569997.db2.gz ABBSFEZLFCZRNU-LLVKDONJSA-N 0 3 252.383 2.261 20 30 CEEDHN C[C@@H](N[C@@H](C)Cn1ccnc1)c1ccc(C#N)cc1 ZINC000037157781 361900484 /nfs/dbraw/zinc/90/04/84/361900484.db2.gz UGNWNMXXYHOGEP-QWHCGFSZSA-N 0 3 254.337 2.494 20 30 CEEDHN C[C@H](C(=O)Nc1ccccc1C#N)N(C)CC1CC1 ZINC000037903931 361962110 /nfs/dbraw/zinc/96/21/10/361962110.db2.gz HHNROOSKDQKFBU-LLVKDONJSA-N 0 3 257.337 2.227 20 30 CEEDHN C=CCOc1cccc(CN(C)C[C@@H]2COCCO2)c1 ZINC000668541130 539194397 /nfs/dbraw/zinc/19/43/97/539194397.db2.gz DIJNKEHXNMKEDK-MRXNPFEDSA-N 0 3 277.364 2.099 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(COC)CCCCC2)CC1 ZINC000621858871 349713535 /nfs/dbraw/zinc/71/35/35/349713535.db2.gz JDOKWZPCBHFFJJ-UHFFFAOYSA-N 0 3 294.439 2.350 20 30 CEEDHN CN1CCC(Nc2c(C#N)nnc3ccccc32)CC1 ZINC000041532022 362039716 /nfs/dbraw/zinc/03/97/16/362039716.db2.gz CJGJYJRCFNUIBW-UHFFFAOYSA-N 0 3 267.336 2.008 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cccc(OC)c2)CC1 ZINC000042156091 362062371 /nfs/dbraw/zinc/06/23/71/362062371.db2.gz FAHLNIDNQBBWBM-UHFFFAOYSA-N 0 3 288.391 2.466 20 30 CEEDHN CC(C)C[C@@H](CNC(=O)c1ccc(C#N)cc1)N(C)C ZINC000042584438 362105108 /nfs/dbraw/zinc/10/51/08/362105108.db2.gz YVZHPKKIAYMTFL-HNNXBMFYSA-N 0 3 273.380 2.264 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000025507622 343386933 /nfs/dbraw/zinc/38/69/33/343386933.db2.gz UBCXBLKEHVEQQZ-OAHLLOKOSA-N 0 3 284.403 2.079 20 30 CEEDHN C[C@@H](CNC(=O)CCc1ccc(C#N)cc1)N1CCCC1 ZINC000042507312 343451554 /nfs/dbraw/zinc/45/15/54/343451554.db2.gz VFRCDIRPNMSXOO-AWEZNQCLSA-N 0 3 285.391 2.091 20 30 CEEDHN N#Cc1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000048065695 362244880 /nfs/dbraw/zinc/24/48/80/362244880.db2.gz XWZIKIJMXTYXNW-UHFFFAOYSA-N 0 3 274.324 2.364 20 30 CEEDHN C[C@@H](CNC(=O)c1ccc(C#N)cc1)N1CCC[C@H](C)C1 ZINC000046953427 343508056 /nfs/dbraw/zinc/50/80/56/343508056.db2.gz WNMYJYDCQKQKDD-KBPBESRZSA-N 0 3 285.391 2.408 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C)CCc2ccccc2)CC1 ZINC000050025294 343540966 /nfs/dbraw/zinc/54/09/66/343540966.db2.gz LMZSSMYULKFZOT-MRXNPFEDSA-N 0 3 298.430 2.469 20 30 CEEDHN N#Cc1ccc(CCC(=O)NCCN2CCCCC2)cc1 ZINC000046853504 343504800 /nfs/dbraw/zinc/50/48/00/343504800.db2.gz FMBLQWVOWBIXKG-UHFFFAOYSA-N 0 3 285.391 2.093 20 30 CEEDHN N#Cc1cccc(OCCN2CCN(C3CCCC3)CC2)c1 ZINC000051685391 343552260 /nfs/dbraw/zinc/55/22/60/343552260.db2.gz MWNBZZFJIROYDN-UHFFFAOYSA-N 0 3 299.418 2.497 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@@H]1CCc1ccccc1 ZINC000052106040 343556507 /nfs/dbraw/zinc/55/65/07/343556507.db2.gz YHBQCGRJAZXGIQ-MRXNPFEDSA-N 0 3 272.392 2.386 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@@H]1c1ccccc1C ZINC000052212744 343558624 /nfs/dbraw/zinc/55/86/24/343558624.db2.gz RHRVWOQSCBWHHQ-OAHLLOKOSA-N 0 3 258.365 2.434 20 30 CEEDHN N#Cc1c(F)cccc1CN[C@H]1CCN(CC2CC2)C1 ZINC000602000665 346954186 /nfs/dbraw/zinc/95/41/86/346954186.db2.gz JFGVXPPFXFMLKI-AWEZNQCLSA-N 0 3 273.355 2.271 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cccc(CC#N)c1 ZINC000068224204 343757961 /nfs/dbraw/zinc/75/79/61/343757961.db2.gz QOSVATPRHKCQAT-INIZCTEOSA-N 0 3 287.407 2.459 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](C)[C@H](C)C1 ZINC000076114049 343881980 /nfs/dbraw/zinc/88/19/80/343881980.db2.gz QXEYLBMANZFPPV-MCIONIFRSA-N 0 3 252.402 2.387 20 30 CEEDHN Cc1nnc(NCCN2CCC[C@H](C)C2)c(C#N)c1C ZINC000076776265 343898045 /nfs/dbraw/zinc/89/80/45/343898045.db2.gz FGUFJUADEOEWPC-NSHDSACASA-N 0 3 273.384 2.109 20 30 CEEDHN C#CCCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000077576755 343925353 /nfs/dbraw/zinc/92/53/53/343925353.db2.gz NFKNCMBULJUUIU-INIZCTEOSA-N 0 3 299.418 2.316 20 30 CEEDHN COCC[C@@H](C)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000088494557 344110671 /nfs/dbraw/zinc/11/06/71/344110671.db2.gz BMOWVYSDCSVGPD-CYBMUJFWSA-N 0 3 291.370 2.244 20 30 CEEDHN C#CCN1CCC(C(=O)NCc2cccc(Cl)c2)CC1 ZINC000049377957 362358252 /nfs/dbraw/zinc/35/82/52/362358252.db2.gz ICJRJXSKFLNPOC-UHFFFAOYSA-N 0 3 290.794 2.301 20 30 CEEDHN Cc1noc([C@H]2CCCN(C[C@H](C)CCC#N)C2)n1 ZINC000602444988 347035389 /nfs/dbraw/zinc/03/53/89/347035389.db2.gz KUKFXFVOCHIQRN-YPMHNXCESA-N 0 3 262.357 2.497 20 30 CEEDHN C[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)C[C@H]1C ZINC000093503496 344226451 /nfs/dbraw/zinc/22/64/51/344226451.db2.gz TWAWNQXTIYRCSQ-VXGBXAGGSA-N 0 3 254.337 2.294 20 30 CEEDHN COCCCN(CCOC)Cc1ccc(C#N)cc1C ZINC000165460492 344474371 /nfs/dbraw/zinc/47/43/71/344474371.db2.gz IIQSUWKTIYLECV-UHFFFAOYSA-N 0 3 276.380 2.352 20 30 CEEDHN COC(=O)[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000166228297 344475810 /nfs/dbraw/zinc/47/58/10/344475810.db2.gz SFCNXGWEBCZXFR-HNNXBMFYSA-N 0 3 272.348 2.252 20 30 CEEDHN N#Cc1ccc([C@H](O)CN(CCO)Cc2ccccc2)cc1 ZINC000216988132 344535245 /nfs/dbraw/zinc/53/52/45/344535245.db2.gz JCUWPEAUNDSIOF-GOSISDBHSA-N 0 3 296.370 2.086 20 30 CEEDHN N#Cc1ccnc(N2CC[C@H](N3CCCC3)C2)c1Cl ZINC000236029591 344593408 /nfs/dbraw/zinc/59/34/08/344593408.db2.gz JCUHQUBQBKFONG-LBPRGKRZSA-N 0 3 276.771 2.281 20 30 CEEDHN N#Cc1ccc(OCCN2CCC[C@H](CCO)C2)cc1 ZINC000051895860 362446557 /nfs/dbraw/zinc/44/65/57/362446557.db2.gz QXMMVVRILDZPDW-OAHLLOKOSA-N 0 3 274.364 2.031 20 30 CEEDHN N#CC1CCC(NCc2nnc3n2CCCCC3)CC1 ZINC000602506492 347060408 /nfs/dbraw/zinc/06/04/08/347060408.db2.gz YDBZDEYGXFYIQX-UHFFFAOYSA-N 0 3 273.384 2.176 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC2CC2)cc1 ZINC000280520009 344674663 /nfs/dbraw/zinc/67/46/63/344674663.db2.gz RSMPSLZYFIIHRL-OAHLLOKOSA-N 0 3 267.332 2.157 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@@H]1C[C@H](C)O ZINC000312771988 344739956 /nfs/dbraw/zinc/73/99/56/344739956.db2.gz DONNWRZBRHKZLH-LSDHHAIUSA-N 0 3 282.428 2.036 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccc(C(=O)OC)c(F)c1 ZINC000320225445 344751950 /nfs/dbraw/zinc/75/19/50/344751950.db2.gz CZEKXNWKLXJIHI-LBPRGKRZSA-N 0 3 281.327 2.029 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCC(C1CCC1)C1CCC1 ZINC000602535135 347069142 /nfs/dbraw/zinc/06/91/42/347069142.db2.gz XWWBJMQNYUHBFJ-HNNXBMFYSA-N 0 3 277.412 2.340 20 30 CEEDHN CCc1ccc(C#CC(=O)N(C)CC2CCN(C)CC2)cc1 ZINC000292974144 344690219 /nfs/dbraw/zinc/69/02/19/344690219.db2.gz CJPDVDIISJJDIZ-UHFFFAOYSA-N 0 3 298.430 2.401 20 30 CEEDHN Cc1nc2ccccc2nc1CNC1CCN(CC#N)CC1 ZINC000602540200 347070225 /nfs/dbraw/zinc/07/02/25/347070225.db2.gz XKDLQZRLQRWBDG-UHFFFAOYSA-N 0 3 295.390 2.016 20 30 CEEDHN COCc1cc(Cl)ccc1NC(=O)[C@H](N)CCCC#N ZINC000602523955 347066370 /nfs/dbraw/zinc/06/63/70/347066370.db2.gz JJWFLNXFTFYFRF-GFCCVEGCSA-N 0 3 295.770 2.446 20 30 CEEDHN CCc1nc(CCNCc2cccc(C#N)n2)cs1 ZINC000602527039 347066802 /nfs/dbraw/zinc/06/68/02/347066802.db2.gz INYLHZBOVJBFNQ-UHFFFAOYSA-N 0 3 272.377 2.304 20 30 CEEDHN CC1(C)CCC[C@H]1CCNC(=O)[C@H](N)CCCC#N ZINC000602525908 347066820 /nfs/dbraw/zinc/06/68/20/347066820.db2.gz TXHQJEGNZCCXEI-QWHCGFSZSA-N 0 3 265.401 2.340 20 30 CEEDHN C[C@H](c1ccccc1)[C@H](CO)NCc1cccc(C#N)n1 ZINC000602546919 347071920 /nfs/dbraw/zinc/07/19/20/347071920.db2.gz MSQYTRJEITYLBG-DYVFJYSZSA-N 0 3 281.359 2.207 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)NCC(C)(C)CCC#N ZINC000350490230 344788884 /nfs/dbraw/zinc/78/88/84/344788884.db2.gz ZHTWDFMFOYUXEY-AWEZNQCLSA-N 0 3 294.443 2.490 20 30 CEEDHN COC[C@H](Cc1ccccc1)NCc1cccc(C#N)n1 ZINC000602563953 347079287 /nfs/dbraw/zinc/07/92/87/347079287.db2.gz JLHLDBTVUCFOPJ-KRWDZBQOSA-N 0 3 281.359 2.301 20 30 CEEDHN C=C(Br)CN1C[C@@H]2CCC[C@]2(C(=O)OC)C1 ZINC000364691292 344811733 /nfs/dbraw/zinc/81/17/33/344811733.db2.gz RWRCLJQHJMWPPZ-JQWIXIFHSA-N 0 3 288.185 2.170 20 30 CEEDHN CC(C)(C)OC(=O)CCCNCc1cccc(C#N)n1 ZINC000602561329 347078700 /nfs/dbraw/zinc/07/87/00/347078700.db2.gz PAKOHCJFHYOTCD-UHFFFAOYSA-N 0 3 275.352 2.165 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)C2(C#N)CCCCC2)C1 ZINC000389676974 344835993 /nfs/dbraw/zinc/83/59/93/344835993.db2.gz GMGZQQASBXUYFI-CYBMUJFWSA-N 0 3 263.385 2.061 20 30 CEEDHN CC(C)CC[C@H](N)C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602574462 347084109 /nfs/dbraw/zinc/08/41/09/347084109.db2.gz VQANDTRDDIHGAZ-KRWDZBQOSA-N 0 3 299.418 2.401 20 30 CEEDHN CC[C@H](C)[C@H](N)C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602575321 347084661 /nfs/dbraw/zinc/08/46/61/347084661.db2.gz GWLUSGYBHPZNFX-LRDDRELGSA-N 0 3 285.391 2.011 20 30 CEEDHN C=CCCCCN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000584761240 344983991 /nfs/dbraw/zinc/98/39/91/344983991.db2.gz XDCAMLKONBNNLM-AWEZNQCLSA-N 0 3 254.418 2.120 20 30 CEEDHN Cc1cc(C#N)cc(NC[C@H]2CCCCN2C2CC2)n1 ZINC000588034359 345035670 /nfs/dbraw/zinc/03/56/70/345035670.db2.gz ZUKYNZLRRMXIAE-OAHLLOKOSA-N 0 3 270.380 2.112 20 30 CEEDHN Cc1ccccc1[C@H]([C@H](C)Nc1ccc(C#N)nn1)N(C)C ZINC000588084094 345038134 /nfs/dbraw/zinc/03/81/34/345038134.db2.gz JQAIPDNDAFFNTE-GUYCJALGSA-N 0 3 295.390 2.182 20 30 CEEDHN CNC(=O)[C@H](CC(C)C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000589343471 345078515 /nfs/dbraw/zinc/07/85/15/345078515.db2.gz BKKYEALWPYXFKJ-HOTGVXAUSA-N 0 3 285.391 2.296 20 30 CEEDHN CN(C)[C@H](CNC(=O)CC1(C#N)CC1)c1ccccc1 ZINC000590126829 345115886 /nfs/dbraw/zinc/11/58/86/345115886.db2.gz PECRLINDASEVEY-CQSZACIVSA-N 0 3 271.364 2.099 20 30 CEEDHN N#CC1(CC(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000590212078 345122035 /nfs/dbraw/zinc/12/20/35/345122035.db2.gz RFFRWZCULHJCML-AWEZNQCLSA-N 0 3 275.396 2.157 20 30 CEEDHN CN(C)Cc1ccccc1C(=O)Nc1cc(CC#N)ccn1 ZINC000589841319 345101617 /nfs/dbraw/zinc/10/16/17/345101617.db2.gz UUDZRZMXXAGVDX-UHFFFAOYSA-N 0 3 294.358 2.462 20 30 CEEDHN CO[C@@]1(C)C[C@H](NCc2ccnc(C#N)c2)C1(C)C ZINC000590756378 345174869 /nfs/dbraw/zinc/17/48/69/345174869.db2.gz KHKIFEBORMTPGS-ZFWWWQNUSA-N 0 3 259.353 2.246 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)CC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000590392163 345132811 /nfs/dbraw/zinc/13/28/11/345132811.db2.gz BMPKIRWTRYFDIE-ZBFHGGJFSA-N 0 3 297.402 2.459 20 30 CEEDHN C=C(C)[C@H](CO)N1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000591477339 345260231 /nfs/dbraw/zinc/26/02/31/345260231.db2.gz DIJRSGVOIQPAEX-MCIONIFRSA-N 0 3 283.412 2.223 20 30 CEEDHN N#Cc1ccc(CNCC2(O)CCC2)cc1Cl ZINC000591765777 345278859 /nfs/dbraw/zinc/27/88/59/345278859.db2.gz HFTZGJBOJAHQDE-UHFFFAOYSA-N 0 3 250.729 2.216 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN1CCCC[C@@H]1C1CCC1)C1CC1 ZINC000592197771 345336440 /nfs/dbraw/zinc/33/64/40/345336440.db2.gz JDIDPPHAQGMMRD-WBVHZDCISA-N 0 3 289.423 2.449 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCCC[C@H]1C1CCC1 ZINC000592199207 345337796 /nfs/dbraw/zinc/33/77/96/345337796.db2.gz YKSRDDIOXUEVIH-HNNXBMFYSA-N 0 3 277.412 2.403 20 30 CEEDHN CC[C@H](C)C[C@@H](CO)NCc1ccc(C#N)c(OC)c1 ZINC000592375600 345347507 /nfs/dbraw/zinc/34/75/07/345347507.db2.gz WBBOFDSUKQQJLF-WFASDCNBSA-N 0 3 276.380 2.454 20 30 CEEDHN C[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)C(C)(C)C1 ZINC000592500102 345360994 /nfs/dbraw/zinc/36/09/94/345360994.db2.gz RQHMVNHPYJKKTG-NSHDSACASA-N 0 3 269.352 2.221 20 30 CEEDHN N#Cc1cnn2cc(CN3CC[C@H](C4CCC4)C3)cnc12 ZINC000592516643 345363758 /nfs/dbraw/zinc/36/37/58/345363758.db2.gz RXSYATMNYWOAPQ-AWEZNQCLSA-N 0 3 281.363 2.223 20 30 CEEDHN CCC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccccn1 ZINC000592129240 345327755 /nfs/dbraw/zinc/32/77/55/345327755.db2.gz OLSMGGSUGSGLDA-GXTWGEPZSA-N 0 3 274.368 2.060 20 30 CEEDHN N#Cc1cccc(CNC(=O)CNC2(C3CCC3)CC2)c1 ZINC000593081783 345435075 /nfs/dbraw/zinc/43/50/75/345435075.db2.gz RFCJVVQWFZJTHM-UHFFFAOYSA-N 0 3 283.375 2.097 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC([C@@H](C)CO)CC1 ZINC000593082735 345435400 /nfs/dbraw/zinc/43/54/00/345435400.db2.gz KJMVVZJWYNMBQH-ZDUSSCGKSA-N 0 3 288.391 2.407 20 30 CEEDHN CCCN(C(=O)c1ccc(C#N)cc1C)[C@@H]1CCN(C)C1 ZINC000592828273 345401160 /nfs/dbraw/zinc/40/11/60/345401160.db2.gz DZCUXQAWNSMSSQ-OAHLLOKOSA-N 0 3 285.391 2.423 20 30 CEEDHN CC[C@@H](C#N)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000593480829 345494665 /nfs/dbraw/zinc/49/46/65/345494665.db2.gz NEPNSNHOTICKFA-ZDUSSCGKSA-N 0 3 289.379 2.424 20 30 CEEDHN Cc1cc(C)c(C#N)c(N(C)CCN2CCCCC2)n1 ZINC000593516149 345502019 /nfs/dbraw/zinc/50/20/19/345502019.db2.gz MQUAEUYKZXRAAX-UHFFFAOYSA-N 0 3 272.396 2.492 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1C[C@H]3CC[C@@H]1O3)CC2 ZINC000593715620 345525950 /nfs/dbraw/zinc/52/59/50/345525950.db2.gz KUJCEZXQPNFKHB-BVUBDWEXSA-N 0 3 254.333 2.455 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@H]3CC[C@@H]1O3)CC2 ZINC000593715631 345526088 /nfs/dbraw/zinc/52/60/88/345526088.db2.gz KUJCEZXQPNFKHB-MIGQKNRLSA-N 0 3 254.333 2.455 20 30 CEEDHN C[C@H](NCC[C@]1(O)CCCOC1)c1ccc(C#N)cc1F ZINC000593720988 345527302 /nfs/dbraw/zinc/52/73/02/345527302.db2.gz OMACLSGKGBHKBO-BLLLJJGKSA-N 0 3 292.354 2.280 20 30 CEEDHN CC1(C)CN(C(=O)[C@H](N)CCCC#N)c2cc(F)ccc21 ZINC000593914584 345551726 /nfs/dbraw/zinc/55/17/26/345551726.db2.gz KHWHDQNUVWIFMZ-CYBMUJFWSA-N 0 3 289.354 2.471 20 30 CEEDHN CN(C)C(=O)CCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033029 345570033 /nfs/dbraw/zinc/57/00/33/345570033.db2.gz WCMPGKVMYWAINN-UHFFFAOYSA-N 0 3 271.364 2.005 20 30 CEEDHN N#Cc1cccc(CC(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000594194922 345596420 /nfs/dbraw/zinc/59/64/20/345596420.db2.gz AOIHCWGFBFBDQE-DLBZAZTESA-N 0 3 297.402 2.234 20 30 CEEDHN Cc1cc(C#N)cnc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594195297 345597023 /nfs/dbraw/zinc/59/70/23/345597023.db2.gz DZWQAXNVDUXLBU-HUUCEWRRSA-N 0 3 298.390 2.008 20 30 CEEDHN N#CCCCCC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594196712 345597055 /nfs/dbraw/zinc/59/70/55/345597055.db2.gz LRTKBRPUZYXOLT-ZIAGYGMSSA-N 0 3 263.385 2.203 20 30 CEEDHN CCC[C@H](C#N)NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000594259933 345606365 /nfs/dbraw/zinc/60/63/65/345606365.db2.gz OGTKDZIXEJMHCV-HZPDHXFCSA-N 0 3 285.391 2.317 20 30 CEEDHN C[C@H](CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1)N(C)C1CC1 ZINC000594278877 345607868 /nfs/dbraw/zinc/60/78/68/345607868.db2.gz UFOOYLQXEGMAGS-UONOGXRCSA-N 0 3 299.418 2.336 20 30 CEEDHN C[C@H](C[S@](C)=O)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594502122 345639176 /nfs/dbraw/zinc/63/91/76/345639176.db2.gz XIDGXJDROZREPS-BLVKFPJESA-N 0 3 278.421 2.344 20 30 CEEDHN CC1CC(C#N)(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000594419756 345624713 /nfs/dbraw/zinc/62/47/13/345624713.db2.gz RCWUHRGFRVJHIZ-IQXANGCESA-N 0 3 275.396 2.059 20 30 CEEDHN CCOc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594424353 345625255 /nfs/dbraw/zinc/62/52/55/345625255.db2.gz BJHKYVNZRVLZFV-CQSZACIVSA-N 0 3 275.352 2.435 20 30 CEEDHN COc1cccc([C@H](C)NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594426039 345625508 /nfs/dbraw/zinc/62/55/08/345625508.db2.gz CDXAOHSJEFUULJ-WFASDCNBSA-N 0 3 289.379 2.284 20 30 CEEDHN C[C@@H](C1CC1)n1nccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594424632 345625523 /nfs/dbraw/zinc/62/55/23/345625523.db2.gz CGKHHYLNMSNXET-AAEUAGOBSA-N 0 3 289.383 2.204 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCc1cccc(Cl)c1 ZINC000594424907 345625976 /nfs/dbraw/zinc/62/59/76/345625976.db2.gz DQJFVBHUDGBKCN-AWEZNQCLSA-N 0 3 293.798 2.410 20 30 CEEDHN CC1(C)CCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594428207 345627237 /nfs/dbraw/zinc/62/72/37/345627237.db2.gz KHCZHPLSKIYKOF-GFCCVEGCSA-N 0 3 251.374 2.046 20 30 CEEDHN CN(Cc1ccc(F)cc1F)C(=O)[C@H](N)CCCCC#N ZINC000594427785 345627531 /nfs/dbraw/zinc/62/75/31/345627531.db2.gz JJLZRALSELSRMT-CQSZACIVSA-N 0 3 295.333 2.334 20 30 CEEDHN COc1ccc([C@H](C)NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594430133 345628023 /nfs/dbraw/zinc/62/80/23/345628023.db2.gz WFBSMLCWXHGMIT-WFASDCNBSA-N 0 3 289.379 2.284 20 30 CEEDHN Cc1nc(C)c(NC(=O)[C@H](N)CCCCC#N)s1 ZINC000594433724 345629214 /nfs/dbraw/zinc/62/92/14/345629214.db2.gz RKJHMOSEJIXVGM-SNVBAGLBSA-N 0 3 266.370 2.110 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000594433103 345629316 /nfs/dbraw/zinc/62/93/16/345629316.db2.gz LRMOWGJMZYWLTK-KKUMJFAQSA-N 0 3 277.412 2.483 20 30 CEEDHN CCCO[C@H]1CCCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594434221 345629337 /nfs/dbraw/zinc/62/93/37/345629337.db2.gz LOFUCCCLMREKTI-LSDHHAIUSA-N 0 3 295.427 2.205 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000594435838 345629723 /nfs/dbraw/zinc/62/97/23/345629723.db2.gz AHBFWQKKCWLAEQ-CQSZACIVSA-N 0 3 297.362 2.426 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCc1cccc2cccnc21 ZINC000594439793 345631285 /nfs/dbraw/zinc/63/12/85/345631285.db2.gz ZXANCZDYEPIFBF-HNNXBMFYSA-N 0 3 296.374 2.262 20 30 CEEDHN CC[C@H](C)CN(CC)C(=O)[C@H](N)CCCCC#N ZINC000594445652 345632872 /nfs/dbraw/zinc/63/28/72/345632872.db2.gz JNLGNXZQBOBLJT-QWHCGFSZSA-N 0 3 253.390 2.292 20 30 CEEDHN C[C@@H](N(C)C(=O)[C@@H](N)CCCCC#N)C1(C)CC1 ZINC000594445628 345632891 /nfs/dbraw/zinc/63/28/91/345632891.db2.gz JIPWESSBTGFGRI-NEPJUHHUSA-N 0 3 251.374 2.045 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC1(c2ccccc2F)CC1 ZINC000594447841 345633269 /nfs/dbraw/zinc/63/32/69/345633269.db2.gz VMIFWTYYLMEZMS-AWEZNQCLSA-N 0 3 289.354 2.342 20 30 CEEDHN N#CCCCCC(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000594449856 345633907 /nfs/dbraw/zinc/63/39/07/345633907.db2.gz PLQZLARWHGXDOP-DZGCQCFKSA-N 0 3 289.354 2.163 20 30 CEEDHN Cc1cc(N[C@H]2CCCN3CCCC[C@H]23)cc(C#N)n1 ZINC000594603895 345658307 /nfs/dbraw/zinc/65/83/07/345658307.db2.gz WHZYKMVPHPFHIR-JKSUJKDBSA-N 0 3 270.380 2.112 20 30 CEEDHN CC(C)NC(=O)[C@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594507372 345640319 /nfs/dbraw/zinc/64/03/19/345640319.db2.gz KZQROPLZQAGDFS-ZDUSSCGKSA-N 0 3 287.407 2.490 20 30 CEEDHN CC(C)(C#N)c1ccc(CNC[C@@H]2CCCC(=O)N2)cc1 ZINC000594522213 345643842 /nfs/dbraw/zinc/64/38/42/345643842.db2.gz JQMMWLPKRUCRLA-HNNXBMFYSA-N 0 3 285.391 2.246 20 30 CEEDHN C=C(C)COc1cc(CN[C@H](C)CO)ccc1OC ZINC000057966638 362603865 /nfs/dbraw/zinc/60/38/65/362603865.db2.gz OEQFQGOUONLMLA-GFCCVEGCSA-N 0 3 265.353 2.121 20 30 CEEDHN N#Cc1cccc(N[C@H]2CCCN3CCCC[C@@H]23)n1 ZINC000594600576 345657014 /nfs/dbraw/zinc/65/70/14/345657014.db2.gz MGLCKEKGPAGJSK-KBPBESRZSA-N 0 3 256.353 2.382 20 30 CEEDHN C[C@H](NCCc1ccc(C#N)cc1)c1cnccn1 ZINC000594710412 345676602 /nfs/dbraw/zinc/67/66/02/345676602.db2.gz KTSZYLDIAPHZCJ-LBPRGKRZSA-N 0 3 252.321 2.242 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1C[C@H](O)C1 ZINC000595102826 345742644 /nfs/dbraw/zinc/74/26/44/345742644.db2.gz JYWOBLQNQOXPEB-IIAWOOMASA-N 0 3 256.349 2.439 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl ZINC000595258677 345750355 /nfs/dbraw/zinc/75/03/55/345750355.db2.gz VYXRYHNGUHGRBI-IACUBPJLSA-N 0 3 291.782 2.333 20 30 CEEDHN COC[C@@H](CN(Cc1ccc(C#N)cc1)C(C)C)OC ZINC000595297860 345756498 /nfs/dbraw/zinc/75/64/98/345756498.db2.gz ZWWQHPIWLOYIGK-MRXNPFEDSA-N 0 3 276.380 2.430 20 30 CEEDHN CS[C@H](CO)[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594923177 345703848 /nfs/dbraw/zinc/70/38/48/345703848.db2.gz SXNCELPPQLINFR-IUODEOHRSA-N 0 3 290.432 2.444 20 30 CEEDHN N#CC1(c2ccc(CN[C@H]3CC(=O)N(C4CC4)C3)cc2)CC1 ZINC000594939623 345710876 /nfs/dbraw/zinc/71/08/76/345710876.db2.gz NWPMOJSRBZGMNR-HNNXBMFYSA-N 0 3 295.386 2.095 20 30 CEEDHN N#CC1(c2ccc(CNC[C@@H]3CCCC(=O)N3)cc2)CC1 ZINC000594940171 345711041 /nfs/dbraw/zinc/71/10/41/345711041.db2.gz WKQRXMHCIAQQMH-HNNXBMFYSA-N 0 3 283.375 2.000 20 30 CEEDHN C[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000594964240 345718619 /nfs/dbraw/zinc/71/86/19/345718619.db2.gz CKDLHVKNGIGKNB-MNVSYLFESA-N 0 3 294.395 2.477 20 30 CEEDHN N#Cc1ccc(CNCCO[C@@H]2CC2(F)F)cc1 ZINC000594970482 345719715 /nfs/dbraw/zinc/71/97/15/345719715.db2.gz HVOBFLDQIPFYLV-GFCCVEGCSA-N 0 3 252.264 2.072 20 30 CEEDHN COC[C@@H](CCN[C@@H](C)c1ccc(C#N)cc1F)OC ZINC000595059956 345736728 /nfs/dbraw/zinc/73/67/28/345736728.db2.gz JGHCPRYSAYDWFE-WCQYABFASA-N 0 3 280.343 2.399 20 30 CEEDHN CC(=O)NCc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000595060265 345737469 /nfs/dbraw/zinc/73/74/69/345737469.db2.gz LVVLTXWEFVTZCL-IRXDYDNUSA-N 0 3 285.391 2.495 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595501534 345797346 /nfs/dbraw/zinc/79/73/46/345797346.db2.gz MAYYDPKESMPJMT-LZWOXQAQSA-N 0 3 292.427 2.194 20 30 CEEDHN C[C@H](CNC(=O)N1CC[C@](C)(C#N)C1)N1CCC[C@@H](C)C1 ZINC000595504686 345797568 /nfs/dbraw/zinc/79/75/68/345797568.db2.gz GUONQDITONJWHV-IIAWOOMASA-N 0 3 292.427 2.052 20 30 CEEDHN CO[C@@H](CNC(C)(C)c1cccc(C#N)c1)[C@H]1CCOC1 ZINC000595633790 345833378 /nfs/dbraw/zinc/83/33/78/345833378.db2.gz ZWVBJXJLXYIJLE-HOCLYGCPSA-N 0 3 288.391 2.434 20 30 CEEDHN C=CCN(Cc1cccc(C(=O)OC)c1)[C@H](C)COC ZINC000595638831 345834269 /nfs/dbraw/zinc/83/42/69/345834269.db2.gz MGPQZQAMVHOFRQ-CYBMUJFWSA-N 0 3 277.364 2.496 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)NCC(C)(C)CC#N ZINC000595649621 345838243 /nfs/dbraw/zinc/83/82/43/345838243.db2.gz QQJCXNIKKQBPAX-LBPRGKRZSA-N 0 3 280.416 2.098 20 30 CEEDHN C[C@]12COC[C@@H]1CN(Cc1ccc(C#N)c(F)c1)C2 ZINC000595755808 345867344 /nfs/dbraw/zinc/86/73/44/345867344.db2.gz CYEXVOJQEOQTPR-ZFWWWQNUSA-N 0 3 260.312 2.166 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@@H]2COC[C@@]2(C)C1 ZINC000595756248 345867547 /nfs/dbraw/zinc/86/75/47/345867547.db2.gz FSAXCTYJFNUVOQ-GDBMZVCRSA-N 0 3 272.348 2.035 20 30 CEEDHN CCCN1CC[C@H](NC(=O)N2Cc3cccc(C#N)c3C2)C1 ZINC000595798295 345878183 /nfs/dbraw/zinc/87/81/83/345878183.db2.gz APPOEIRNYVPADE-HNNXBMFYSA-N 0 3 298.390 2.068 20 30 CEEDHN COC(=O)[C@H]1C[C@@H](N(C)Cc2ccc(F)c(C#N)c2)C1 ZINC000595847698 345897751 /nfs/dbraw/zinc/89/77/51/345897751.db2.gz CIWSTVMRNJQQNL-BJHJDKERSA-N 0 3 276.311 2.081 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@H](C)[C@](C)(CO)C1 ZINC000595875537 345903920 /nfs/dbraw/zinc/90/39/20/345903920.db2.gz QNEUQKNZXUPHPO-LRDDRELGSA-N 0 3 274.364 2.017 20 30 CEEDHN CC1(C)CN(C(=O)[C@@H](N)CCCC#N)[C@H]1c1ccncc1 ZINC000595948956 345917395 /nfs/dbraw/zinc/91/73/95/345917395.db2.gz UKQKMAQQSHNDDT-KBPBESRZSA-N 0 3 286.379 2.012 20 30 CEEDHN CC(C)(CNC(=O)[C@H](N)CCCC#N)CC(F)(F)F ZINC000595986109 345921306 /nfs/dbraw/zinc/92/13/06/345921306.db2.gz OKFOSWKJHXRXBY-SECBINFHSA-N 0 3 279.306 2.102 20 30 CEEDHN CCc1nc(C#N)cc(NC[C@H](C)N2CCCC[C@H]2C)n1 ZINC000596073681 345933455 /nfs/dbraw/zinc/93/34/55/345933455.db2.gz LOFOKELZIPFOIG-OLZOCXBDSA-N 0 3 287.411 2.007 20 30 CEEDHN CN1CCC[C@H]1CNc1nc2ncccc2cc1C#N ZINC000596090262 345937174 /nfs/dbraw/zinc/93/71/74/345937174.db2.gz AKEJMQMKHNCFAT-ZDUSSCGKSA-N 0 3 267.336 2.008 20 30 CEEDHN CN(CCN(C)C1CC1)c1nc2ncccc2cc1C#N ZINC000596197850 345967273 /nfs/dbraw/zinc/96/72/73/345967273.db2.gz XXZBQHQLQMBXGR-UHFFFAOYSA-N 0 3 281.363 2.032 20 30 CEEDHN N#Cc1cnnc(NCCN2CCC3(CCCCC3)CC2)c1 ZINC000596223083 345973810 /nfs/dbraw/zinc/97/38/10/345973810.db2.gz OSJNMIVSSNYWHJ-UHFFFAOYSA-N 0 3 299.422 2.228 20 30 CEEDHN Cc1ccc(C#N)nc1N(C)CCN1CCCCC1 ZINC000596296462 345993440 /nfs/dbraw/zinc/99/34/40/345993440.db2.gz XCNSIIBEKGXLST-UHFFFAOYSA-N 0 3 258.369 2.184 20 30 CEEDHN Cc1cc(N(C)CCN(C)C2CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596194204 345966733 /nfs/dbraw/zinc/96/67/33/345966733.db2.gz JSLIWYFCOFCOOP-UHFFFAOYSA-N 0 3 288.351 2.305 20 30 CEEDHN C=CCCSCCNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000596721658 346080866 /nfs/dbraw/zinc/08/08/66/346080866.db2.gz LXGRBGPJWCANRB-KBPBESRZSA-N 0 3 299.484 2.420 20 30 CEEDHN CC1(C)Cc2n[nH]cc2CN(CCCSCC#N)C1 ZINC000596598905 346062587 /nfs/dbraw/zinc/06/25/87/346062587.db2.gz NVRXRLUAAOGQBC-UHFFFAOYSA-N 0 3 278.425 2.441 20 30 CEEDHN CCN(C(=O)NCC(C)(C)CCC#N)[C@H]1CCN(CC)C1 ZINC000596601796 346063358 /nfs/dbraw/zinc/06/33/58/346063358.db2.gz VVJICFDWWRWDIV-AWEZNQCLSA-N 0 3 294.443 2.442 20 30 CEEDHN N#CC[C@H]1CCCN(Cc2ccccc2-n2cncn2)C1 ZINC000597173872 346140868 /nfs/dbraw/zinc/14/08/68/346140868.db2.gz MINXSAMQJBTKPV-CQSZACIVSA-N 0 3 281.363 2.393 20 30 CEEDHN C[C@H](CC#N)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000596974792 346111187 /nfs/dbraw/zinc/11/11/87/346111187.db2.gz XCBGTPRDSNHYQJ-CYBMUJFWSA-N 0 3 291.370 2.266 20 30 CEEDHN C[C@@H](O)CCN(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597007585 346114602 /nfs/dbraw/zinc/11/46/02/346114602.db2.gz FJCKGNTVDAZOQT-CYBMUJFWSA-N 0 3 258.365 2.444 20 30 CEEDHN C[C@H](NCCOc1cccc(C#N)c1)c1cnn(C)c1 ZINC000273274048 192096709 /nfs/dbraw/zinc/09/67/09/192096709.db2.gz HXSCWQOLFIYWKG-LBPRGKRZSA-N 0 3 270.336 2.021 20 30 CEEDHN Cc1ccc(NC(=O)[C@H](C)CC#N)c(OCCN(C)C)c1 ZINC000597279760 346167257 /nfs/dbraw/zinc/16/72/57/346167257.db2.gz HFTINPUVTMIYMZ-CYBMUJFWSA-N 0 3 289.379 2.424 20 30 CEEDHN CN(C(=O)CC1(C#N)CCCCC1)[C@@H]1CCCN(C)C1 ZINC000597293798 346168379 /nfs/dbraw/zinc/16/83/79/346168379.db2.gz HWHMLOSSIZJZIL-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCOCCCNCc1cc(C(=O)OC)c(C)o1 ZINC000597209587 346149209 /nfs/dbraw/zinc/14/92/09/346149209.db2.gz MCOOJYDQXRNDGJ-UHFFFAOYSA-N 0 3 267.325 2.057 20 30 CEEDHN CC(C)CN(C(=O)[C@@H](C)CC#N)C1CCN(C)CC1 ZINC000597226833 346154507 /nfs/dbraw/zinc/15/45/07/346154507.db2.gz WPWYFXPAHWRNJJ-ZDUSSCGKSA-N 0 3 265.401 2.115 20 30 CEEDHN COc1cc(CN2C[C@H](C)[C@@](C)(CO)C2)ccc1C#N ZINC000597236529 346157269 /nfs/dbraw/zinc/15/72/69/346157269.db2.gz RROVLHVWZUVMTR-BLLLJJGKSA-N 0 3 274.364 2.017 20 30 CEEDHN CC[C@H]1CN(C)CCCN1C(=O)CCCCC#N ZINC000597606597 346207027 /nfs/dbraw/zinc/20/70/27/346207027.db2.gz XOHCYKCEGSELDA-ZDUSSCGKSA-N 0 3 251.374 2.013 20 30 CEEDHN CN(C)CC1(NC(=O)CC2(C#N)CCCCC2)CCC1 ZINC000597614243 346208093 /nfs/dbraw/zinc/20/80/93/346208093.db2.gz MISRQUAXGHRAIW-UHFFFAOYSA-N 0 3 277.412 2.451 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000597453305 346188029 /nfs/dbraw/zinc/18/80/29/346188029.db2.gz RDUOBNDISVCYMH-YUELXQCFSA-N 0 3 271.364 2.098 20 30 CEEDHN C[C@@H](CC#N)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000597764494 346228313 /nfs/dbraw/zinc/22/83/13/346228313.db2.gz MMIPYXGITIBWPH-NSHDSACASA-N 0 3 293.342 2.254 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCc1cocn1 ZINC000597757184 346227003 /nfs/dbraw/zinc/22/70/03/346227003.db2.gz FRJCMRFZYIXAMT-CYBMUJFWSA-N 0 3 269.304 2.063 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(CC#N)cc1 ZINC000597859260 346239564 /nfs/dbraw/zinc/23/95/64/346239564.db2.gz SKTBYSKANCIMOA-OAHLLOKOSA-N 0 3 285.391 2.355 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H](CO)C1CCC1 ZINC000597920301 346253210 /nfs/dbraw/zinc/25/32/10/346253210.db2.gz SDVYPLJZEMWUSU-CVEARBPZSA-N 0 3 286.375 2.036 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)c2cscc2C#N)C1 ZINC000597920961 346253744 /nfs/dbraw/zinc/25/37/44/346253744.db2.gz DDKVKJITRXFKBG-NSHDSACASA-N 0 3 277.393 2.222 20 30 CEEDHN CCN(C(=O)c1cc(F)c(C#N)c(F)c1)[C@@H]1CCN(C)C1 ZINC000597947195 346256143 /nfs/dbraw/zinc/25/61/43/346256143.db2.gz VEOFIUBWJAARFB-LLVKDONJSA-N 0 3 293.317 2.003 20 30 CEEDHN N#CCC1CN(C(=O)c2ccc(CN3CCCC3)cc2)C1 ZINC000598022145 346268234 /nfs/dbraw/zinc/26/82/34/346268234.db2.gz APSPSFZJWVZAMT-UHFFFAOYSA-N 0 3 283.375 2.268 20 30 CEEDHN C[C@@H](C#N)N(C(=O)[C@@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000598135035 346297141 /nfs/dbraw/zinc/29/71/41/346297141.db2.gz NPBJHZAOOHSSTN-GOEBONIOSA-N 0 3 297.402 2.412 20 30 CEEDHN C=CCOCCCNC(=O)C(C#N)CCc1ccccc1 ZINC000598207799 346305417 /nfs/dbraw/zinc/30/54/17/346305417.db2.gz ZRPATTSXODIFPX-INIZCTEOSA-N 0 3 286.375 2.468 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)CC(C)(C)C#N ZINC000598262054 346315950 /nfs/dbraw/zinc/31/59/50/346315950.db2.gz XMGDQEAQTJDBJP-CYBMUJFWSA-N 0 3 265.401 2.163 20 30 CEEDHN C[C@@H](C(=O)N1CC[C@](C)(C#N)C1)N1CCCCCC1 ZINC000598411414 346349454 /nfs/dbraw/zinc/34/94/54/346349454.db2.gz IZIODFWWPHRPDK-DZGCQCFKSA-N 0 3 263.385 2.013 20 30 CEEDHN CN(C)[C@@H](CC(=O)N1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000598415143 346351488 /nfs/dbraw/zinc/35/14/88/346351488.db2.gz MBZQVCJCUHJJNS-RDJZCZTQSA-N 0 3 285.391 2.442 20 30 CEEDHN CCn1nccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000598566096 346375325 /nfs/dbraw/zinc/37/53/25/346375325.db2.gz UTUXUPQVCLHDEH-HNNXBMFYSA-N 0 3 296.374 2.292 20 30 CEEDHN C[C@H](c1cccnc1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598598934 346381424 /nfs/dbraw/zinc/38/14/24/346381424.db2.gz JWGKVQHUSDQMKZ-TZMCWYRMSA-N 0 3 261.369 2.375 20 30 CEEDHN CN(C[C@@H](O)CC(C)(C)C#N)[C@H]1CCCc2c1cnn2C ZINC000598596944 346381534 /nfs/dbraw/zinc/38/15/34/346381534.db2.gz OAAQXIVPIRNMPT-JSGCOSHPSA-N 0 3 290.411 2.030 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCSC[C@H]1C1CC1 ZINC000598620614 346386085 /nfs/dbraw/zinc/38/60/85/346386085.db2.gz LTAPNHBZLYIPQY-STQMWFEESA-N 0 3 268.426 2.115 20 30 CEEDHN COc1cccc(CNC[C@H](O)CC(C)(C)C#N)c1 ZINC000598703632 346404360 /nfs/dbraw/zinc/40/43/60/346404360.db2.gz IIAPKRQSTGKOES-CYBMUJFWSA-N 0 3 262.353 2.086 20 30 CEEDHN CN1Cc2ccccc2[C@H](NC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598725811 346409875 /nfs/dbraw/zinc/40/98/75/346409875.db2.gz PIMRUZUJOFMYIA-GOEBONIOSA-N 0 3 287.407 2.063 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](C)[C@H](CO)C1 ZINC000598647941 346392196 /nfs/dbraw/zinc/39/21/96/346392196.db2.gz QJGQCQNFSVGRDP-WBMJQRKESA-N 0 3 258.365 2.317 20 30 CEEDHN COc1ccc(F)cc1CNC[C@H](O)CC(C)(C)C#N ZINC000598725072 346409304 /nfs/dbraw/zinc/40/93/04/346409304.db2.gz UVBXMKWIGHRZTN-CYBMUJFWSA-N 0 3 280.343 2.225 20 30 CEEDHN CSc1cc(CNC[C@H](O)CC(C)(C)C#N)ccn1 ZINC000598724904 346409329 /nfs/dbraw/zinc/40/93/29/346409329.db2.gz SHIBKAFWPAWPOB-GFCCVEGCSA-N 0 3 279.409 2.194 20 30 CEEDHN C=C(C)COCCNCc1c(C)[nH]c(C(=O)OCC)c1C ZINC000598969565 346439148 /nfs/dbraw/zinc/43/91/48/346439148.db2.gz VGDWVDZIJMGPQH-UHFFFAOYSA-N 0 3 294.395 2.491 20 30 CEEDHN N#C[C@@H]1CC[C@H](NC[C@@H]2Cc3ccccc3CO2)C1 ZINC000599060509 346454445 /nfs/dbraw/zinc/45/44/45/346454445.db2.gz XRKXZCZOHUCVGH-KCXAZCMYSA-N 0 3 256.349 2.410 20 30 CEEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)C1 ZINC000599077934 346456472 /nfs/dbraw/zinc/45/64/72/346456472.db2.gz BCYGPBMCKAHBIG-DCDXPUDHSA-N 0 3 287.363 2.289 20 30 CEEDHN CC[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H](C)N1 ZINC000599178502 346473922 /nfs/dbraw/zinc/47/39/22/346473922.db2.gz IJLJQDRHCMNRBC-JGVFFNPUSA-N 0 3 270.789 2.245 20 30 CEEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(C#N)cc1 ZINC000599350284 346504190 /nfs/dbraw/zinc/50/41/90/346504190.db2.gz PWZPGXLSDNTYTO-SWLSCSKDSA-N 0 3 269.348 2.264 20 30 CEEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccccc1[N+](=O)[O-] ZINC000599354627 346504772 /nfs/dbraw/zinc/50/47/72/346504772.db2.gz QTMLYEIBANBJPX-VXGBXAGGSA-N 0 3 289.335 2.300 20 30 CEEDHN COCCN(Cc1ccc(C)c(C#N)c1)[C@H]1CCOC1 ZINC000599397155 346513649 /nfs/dbraw/zinc/51/36/49/346513649.db2.gz UYZJRQRUUHZWQK-INIZCTEOSA-N 0 3 274.364 2.104 20 30 CEEDHN Cc1ccc(CN(CCOCCO)C(C)C)cc1C#N ZINC000599404431 346514686 /nfs/dbraw/zinc/51/46/86/346514686.db2.gz VLDSWNDKNIDTLJ-UHFFFAOYSA-N 0 3 276.380 2.086 20 30 CEEDHN Cc1ccc(CN2CCC[C@H](Cn3ccnn3)C2)cc1C#N ZINC000599340515 346501432 /nfs/dbraw/zinc/50/14/32/346501432.db2.gz NZTRKAMLMKKLHB-INIZCTEOSA-N 0 3 295.390 2.370 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H](C2CCC2)CC1 ZINC000602607952 347099422 /nfs/dbraw/zinc/09/94/22/347099422.db2.gz AKHRGGQGPWUILI-GJZGRUSLSA-N 0 3 277.412 2.436 20 30 CEEDHN Cc1ccc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1C#N ZINC000599682698 346564190 /nfs/dbraw/zinc/56/41/90/346564190.db2.gz IIMMQZSIMCLSHA-NUEKZKHPSA-N 0 3 256.349 2.212 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCCC(F)(F)CC1 ZINC000599552490 346536551 /nfs/dbraw/zinc/53/65/51/346536551.db2.gz GZDQITUANPTBHP-NSHDSACASA-N 0 3 260.328 2.408 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)CC1(C)COC1 ZINC000599571339 346539595 /nfs/dbraw/zinc/53/95/95/346539595.db2.gz CNBNXAYFXQJFCC-UHFFFAOYSA-N 0 3 260.337 2.035 20 30 CEEDHN C[C@H]1CN(CCOCCC#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599582803 346542500 /nfs/dbraw/zinc/54/25/00/346542500.db2.gz PDSKAWGIMWZYRA-KBPBESRZSA-N 0 3 296.411 2.216 20 30 CEEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000599625310 346547820 /nfs/dbraw/zinc/54/78/20/346547820.db2.gz IQUFSZKNGZPQKH-KIGUWFBYSA-N 0 3 289.335 2.368 20 30 CEEDHN N#Cc1cnn2cc(CN3CCCC4(CC4)CC3)cnc12 ZINC000600215476 346625395 /nfs/dbraw/zinc/62/53/95/346625395.db2.gz LVGVAMWXPQFGNN-UHFFFAOYSA-N 0 3 281.363 2.367 20 30 CEEDHN C[C@@H](CNC(=O)C1(C#N)CC2(CC2)C1)N1CCCC[C@@H]1C ZINC000600996552 346728562 /nfs/dbraw/zinc/72/85/62/346728562.db2.gz CDLZVQLFBUDMJD-KBPBESRZSA-N 0 3 289.423 2.449 20 30 CEEDHN C[C@H](CNC(=O)C1(C#N)CC2(CC2)C1)N1CCC[C@H](C)C1 ZINC000600997878 346728868 /nfs/dbraw/zinc/72/88/68/346728868.db2.gz NQGLPYWNOGCXIW-UONOGXRCSA-N 0 3 289.423 2.307 20 30 CEEDHN CCOc1ccc(CNC[C@@H](O)CC2(C#N)CC2)cc1F ZINC000600723483 346678975 /nfs/dbraw/zinc/67/89/75/346678975.db2.gz VDVDFFQYCRQCQR-ZDUSSCGKSA-N 0 3 292.354 2.369 20 30 CEEDHN COc1cc(C)cc(CNC[C@H](O)CC2(C#N)CC2)c1 ZINC000600725995 346679447 /nfs/dbraw/zinc/67/94/47/346679447.db2.gz GPRBBUWKFRMVQR-CQSZACIVSA-N 0 3 274.364 2.148 20 30 CEEDHN N#CC1(C[C@@H](O)CNCc2cnccc2C(F)(F)F)CC1 ZINC000600745979 346683592 /nfs/dbraw/zinc/68/35/92/346683592.db2.gz RMJCGSBAEAYMFR-LLVKDONJSA-N 0 3 299.296 2.245 20 30 CEEDHN CCC[C@@H](CCO)NCc1ccc(C#N)cc1F ZINC000601140557 346767066 /nfs/dbraw/zinc/76/70/66/346767066.db2.gz YNOTXGHSAOZGJS-ZDUSSCGKSA-N 0 3 250.317 2.338 20 30 CEEDHN N#Cc1cnc(N2CCN3CCC2CC3)c2sccc21 ZINC000601153160 346771566 /nfs/dbraw/zinc/77/15/66/346771566.db2.gz KKEQOQNCKQECDI-UHFFFAOYSA-N 0 3 284.388 2.452 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](N)CCC ZINC000236899484 370649685 /nfs/dbraw/zinc/64/96/85/370649685.db2.gz KZVIHQCSQXBGII-OAHLLOKOSA-N 0 3 276.380 2.337 20 30 CEEDHN C[C@@H](O)C[C@@H]1CCCCN1Cc1cccc(C#N)n1 ZINC000602645148 347121259 /nfs/dbraw/zinc/12/12/59/347121259.db2.gz VBQBTLNKISDWPN-DOMZBBRYSA-N 0 3 259.353 2.079 20 30 CEEDHN COc1cc(CN[C@H]2CC[C@@H](CC#N)C2)sn1 ZINC000602682958 347142812 /nfs/dbraw/zinc/14/28/12/347142812.db2.gz ZAEHXEMKBIYSIV-UWVGGRQHSA-N 0 3 251.355 2.324 20 30 CEEDHN CO[C@@](C)([C@@H](C)NCc1cccc(C#N)n1)C1CC1 ZINC000602691353 347149807 /nfs/dbraw/zinc/14/98/07/347149807.db2.gz SBXHFYYSUXLXLZ-ABAIWWIYSA-N 0 3 259.353 2.246 20 30 CEEDHN CC[C@@H](NCc1cccc(C#N)n1)[C@@H]1CCCCO1 ZINC000602706116 347160017 /nfs/dbraw/zinc/16/00/17/347160017.db2.gz AUXJKPNAGUIWQZ-CABCVRRESA-N 0 3 259.353 2.391 20 30 CEEDHN C[C@H](c1ccccc1)[C@H](O)CNCc1cccc(C#N)n1 ZINC000602720275 347169661 /nfs/dbraw/zinc/16/96/61/347169661.db2.gz AKIDFRFOWIMJIN-CXAGYDPISA-N 0 3 281.359 2.207 20 30 CEEDHN Cc1cnc(CN(CCN(C)C)Cc2ccc(C#N)cc2)o1 ZINC000602658179 347127398 /nfs/dbraw/zinc/12/73/98/347127398.db2.gz CTRRQSWIGPFZHR-UHFFFAOYSA-N 0 3 298.390 2.419 20 30 CEEDHN CC(C)C(=O)NC[C@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602771416 347191108 /nfs/dbraw/zinc/19/11/08/347191108.db2.gz JALLJLUDCCAMDN-CQSZACIVSA-N 0 3 277.412 2.164 20 30 CEEDHN C=CCN(CCC#N)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000602839671 347219874 /nfs/dbraw/zinc/21/98/74/347219874.db2.gz WPIUMMMPOULQCQ-GOSISDBHSA-N 0 3 299.418 2.025 20 30 CEEDHN CO[C@H](C)CN1CCC(Nc2ccccc2C#N)CC1 ZINC000602894348 347239844 /nfs/dbraw/zinc/23/98/44/347239844.db2.gz LXIRAYSCLDFDAT-CYBMUJFWSA-N 0 3 273.380 2.469 20 30 CEEDHN CSCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602905774 347243312 /nfs/dbraw/zinc/24/33/12/347243312.db2.gz BONPWCCGOKJISV-UHFFFAOYSA-N 0 3 261.394 2.496 20 30 CEEDHN CC(C)(C#N)CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602922684 347248949 /nfs/dbraw/zinc/24/89/49/347248949.db2.gz BNXANHLTHUEBIG-HUUCEWRRSA-N 0 3 274.364 2.050 20 30 CEEDHN N#Cc1cc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)ccn1 ZINC000603125878 347292374 /nfs/dbraw/zinc/29/23/74/347292374.db2.gz KFVGCXBSXJYRCH-LSDHHAIUSA-N 0 3 299.378 2.092 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnc(C#N)c2)CC1 ZINC000603127441 347292922 /nfs/dbraw/zinc/29/29/22/347292922.db2.gz DXVSRKQVKZFURZ-UHFFFAOYSA-N 0 3 299.378 2.115 20 30 CEEDHN CN1CCC[C@H](CNc2c(C#N)cnn2-c2ccccc2)C1 ZINC000603297776 347330894 /nfs/dbraw/zinc/33/08/94/347330894.db2.gz VKIJCWHAUKEZAR-CQSZACIVSA-N 0 3 295.390 2.498 20 30 CEEDHN COCc1cc(C#N)ccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000603302225 347332500 /nfs/dbraw/zinc/33/25/00/347332500.db2.gz DRUGEKYEQGCGPO-MRXNPFEDSA-N 0 3 283.375 2.155 20 30 CEEDHN CN(C)CCSc1cc(C#N)c(Br)cn1 ZINC000603312382 347334933 /nfs/dbraw/zinc/33/49/33/347334933.db2.gz YJCROGNLIHQEIG-UHFFFAOYSA-N 0 3 286.198 2.369 20 30 CEEDHN COCc1cc(C#N)ccc1N1CCN(C)[C@H](C(C)C)C1 ZINC000603358761 347349143 /nfs/dbraw/zinc/34/91/43/347349143.db2.gz KVUUSERSBRTXOC-KRWDZBQOSA-N 0 3 287.407 2.481 20 30 CEEDHN Cc1cc(Cn2cc([C@@H](N)C(C)C)nn2)ccc1C#N ZINC000603233837 347318038 /nfs/dbraw/zinc/31/80/38/347318038.db2.gz CWKQKTAMSPZCFC-HNNXBMFYSA-N 0 3 269.352 2.162 20 30 CEEDHN CC#CC[C@@H](CO)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000603432676 347369550 /nfs/dbraw/zinc/36/95/50/347369550.db2.gz PLRJIXWBCRLPNZ-CTXBLAANSA-N 0 3 288.347 2.362 20 30 CEEDHN CCN(CCC#N)C(=O)CN(C)[C@@H](C)C(C)(C)C ZINC000603873312 347394219 /nfs/dbraw/zinc/39/42/19/347394219.db2.gz KVXSVAQQMDAYCQ-LBPRGKRZSA-N 0 3 253.390 2.115 20 30 CEEDHN C[C@@H]1C[C@@H]1c1ccc(CNC2CCN(CC#N)CC2)o1 ZINC000609335048 347635623 /nfs/dbraw/zinc/63/56/23/347635623.db2.gz RBQLIFJEIYTNKA-DOMZBBRYSA-N 0 3 273.380 2.481 20 30 CEEDHN CC(C)OCc1ccccc1CNC(=O)C(C)C#N ZINC000609919829 347655657 /nfs/dbraw/zinc/65/56/57/347655657.db2.gz SQAHQMHJDLNMRI-LBPRGKRZSA-N 0 3 260.337 2.387 20 30 CEEDHN CC(C#N)C(=O)N1CCC2(CC1)OCc1ccccc12 ZINC000610746737 347710698 /nfs/dbraw/zinc/71/06/98/347710698.db2.gz DNNHJMNSLGUPKP-LBPRGKRZSA-N 0 3 270.332 2.194 20 30 CEEDHN C[C@H](NCc1ccn(C)c(=O)c1)c1ccc(C#N)cc1 ZINC000611382016 347771342 /nfs/dbraw/zinc/77/13/42/347771342.db2.gz AVFDYXQYIVQOSA-LBPRGKRZSA-N 0 3 267.332 2.108 20 30 CEEDHN CC[C@H](NCCCC#N)c1ccccc1OCC(=O)NC ZINC000611380044 347771382 /nfs/dbraw/zinc/77/13/82/347771382.db2.gz RIJOJQUDPGUYRQ-AWEZNQCLSA-N 0 3 289.379 2.156 20 30 CEEDHN CC(C)S(=O)(=O)CCCN[C@H](C)c1cccc(C#N)c1 ZINC000611387830 347771715 /nfs/dbraw/zinc/77/17/15/347771715.db2.gz TYEASMAPMTYHSO-CYBMUJFWSA-N 0 3 294.420 2.422 20 30 CEEDHN CC(=O)N1CC[C@@H](NCc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000610947044 347723689 /nfs/dbraw/zinc/72/36/89/347723689.db2.gz ABLNKFAWPXGWQS-MEDUHNTESA-N 0 3 289.354 2.044 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCN(CC3CC3)C2)c(F)c1 ZINC000610946890 347723913 /nfs/dbraw/zinc/72/39/13/347723913.db2.gz UFQCGUHJXHTYEN-OAHLLOKOSA-N 0 3 273.355 2.271 20 30 CEEDHN C[C@@H]1CCC[C@@]1(O)CNCc1cc(C#N)cs1 ZINC000336885845 365932318 /nfs/dbraw/zinc/93/23/18/365932318.db2.gz BAPPTTPUUNXCFR-ZWNOBZJWSA-N 0 3 250.367 2.260 20 30 CEEDHN C=C[C@@H](O)C(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000612648970 347912358 /nfs/dbraw/zinc/91/23/58/347912358.db2.gz NSWOKHDSHOAYFW-OAHLLOKOSA-N 0 3 274.364 2.076 20 30 CEEDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(F)cc1C#N ZINC000351925956 219250584 /nfs/dbraw/zinc/25/05/84/219250584.db2.gz HKLRBGLTJHUQTA-NWDGAFQWSA-N 0 3 261.344 2.222 20 30 CEEDHN CN(C)Cc1ccc(NC(=O)c2cc(C#N)ccn2)cc1 ZINC000339433677 215168724 /nfs/dbraw/zinc/16/87/24/215168724.db2.gz VZXDAQIPPOBEJK-UHFFFAOYSA-N 0 3 280.331 2.267 20 30 CEEDHN CCN1CCCC[C@H]1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000104142510 185910510 /nfs/dbraw/zinc/91/05/10/185910510.db2.gz LGQOWOODOOCQHC-INIZCTEOSA-N 0 3 285.391 2.391 20 30 CEEDHN CC1(C)CCC[C@]1(O)CNCc1cnc2ccc(C#N)cn12 ZINC000339464563 215189659 /nfs/dbraw/zinc/18/96/59/215189659.db2.gz DHFQTSZZGCPVAY-KRWDZBQOSA-N 0 3 298.390 2.237 20 30 CEEDHN CCOC(=O)C1CCN(CCC(C)(C)C#N)CC1 ZINC000087594674 179451440 /nfs/dbraw/zinc/45/14/40/179451440.db2.gz GCKKYUBUQNDIFZ-UHFFFAOYSA-N 0 3 252.358 2.201 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCN2C2CC2)C1 ZINC000617779848 348790445 /nfs/dbraw/zinc/79/04/45/348790445.db2.gz JNVYMGHOSRPPGC-UKRRQHHQSA-N 0 3 262.397 2.428 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000617783331 348790919 /nfs/dbraw/zinc/79/09/19/348790919.db2.gz YGSAOPXGZDUKQX-CYBMUJFWSA-N 0 3 250.386 2.143 20 30 CEEDHN Cc1cc(CN2CCC[C@@H](CCO)C2)ccc1C#N ZINC000618593675 348990400 /nfs/dbraw/zinc/99/04/00/348990400.db2.gz ZDJLQIASOFPOER-AWEZNQCLSA-N 0 3 258.365 2.461 20 30 CEEDHN N#Cc1ccc(CN(CCO)C2CCCCC2)nc1 ZINC000618905515 349063901 /nfs/dbraw/zinc/06/39/01/349063901.db2.gz OUFGOIXWRVQHNE-UHFFFAOYSA-N 0 3 259.353 2.080 20 30 CEEDHN Cc1occc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000619287599 349150942 /nfs/dbraw/zinc/15/09/42/349150942.db2.gz SEOQWOGHADNTBV-MRXNPFEDSA-N 0 3 293.326 2.458 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)N(C)C ZINC000620306383 349339127 /nfs/dbraw/zinc/33/91/27/349339127.db2.gz DRWKZFWDFKIVRB-MJBXVCDLSA-N 0 3 250.386 2.282 20 30 CEEDHN C=CCCn1cc(CNC[C@@H]2CC[C@H]3C[C@H]3C2)nn1 ZINC000623589372 350059560 /nfs/dbraw/zinc/05/95/60/350059560.db2.gz IQIBZNCYFIYERG-HZSPNIEDSA-N 0 3 260.385 2.380 20 30 CEEDHN C=C[C@H](C)NC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000623747506 350100987 /nfs/dbraw/zinc/10/09/87/350100987.db2.gz YYYXPEIZIFJBCV-GXTWGEPZSA-N 0 3 265.401 2.267 20 30 CEEDHN C=CC(C)(C)CCN[C@H](c1nnc[nH]1)c1cccnc1 ZINC000624036998 350176102 /nfs/dbraw/zinc/17/61/02/350176102.db2.gz HXDOEMBDVZUFBF-ZDUSSCGKSA-N 0 3 271.368 2.481 20 30 CEEDHN CN(CCC1OCCCO1)Cc1cccc(C#N)c1 ZINC000091465889 180163474 /nfs/dbraw/zinc/16/34/74/180163474.db2.gz PITMGKCJUNDGIA-UHFFFAOYSA-N 0 3 260.337 2.143 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N(C)C[C@@H]1CCCN1C ZINC000624461739 350290478 /nfs/dbraw/zinc/29/04/78/350290478.db2.gz JZJORDKJRUJGEN-ZDUSSCGKSA-N 0 3 267.417 2.324 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccn2)CC1 ZINC000106252893 186104958 /nfs/dbraw/zinc/10/49/58/186104958.db2.gz XDKQUTUVOQYKQN-UHFFFAOYSA-N 0 3 274.368 2.244 20 30 CEEDHN COc1ccc(CN(C)C2CC(OC)C2)cc1C#N ZINC000352195628 219355132 /nfs/dbraw/zinc/35/51/32/219355132.db2.gz SBLRWEOJINUEOC-UHFFFAOYSA-N 0 3 260.337 2.176 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](OCC)C(C)C)CC1 ZINC000625323210 350465110 /nfs/dbraw/zinc/46/51/10/350465110.db2.gz UDVCQNDWCGHRQD-HNNXBMFYSA-N 0 3 282.428 2.204 20 30 CEEDHN CN1CCC[C@@H](CNC(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000108345344 186212975 /nfs/dbraw/zinc/21/29/75/186212975.db2.gz ZEVCLGIWNZVSBG-WAVCKPEOSA-N 0 3 283.375 2.029 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)N2CCc3ccccc3C2)C1 ZINC000625701191 350550536 /nfs/dbraw/zinc/55/05/36/350550536.db2.gz NTSJPICUENIQEI-HNNXBMFYSA-N 0 3 284.403 2.469 20 30 CEEDHN COc1ccc(CN(C)C[C@H](C)O)cc1OCCCC#N ZINC000130729875 365984492 /nfs/dbraw/zinc/98/44/92/365984492.db2.gz VSDIHHDJXLPDPL-ZDUSSCGKSA-N 0 3 292.379 2.190 20 30 CEEDHN C=CCN(C[C@H](O)COCc1cccs1)C1CC1 ZINC000271406411 191119973 /nfs/dbraw/zinc/11/99/73/191119973.db2.gz MHVZSKYQGCYVRZ-ZDUSSCGKSA-N 0 3 267.394 2.276 20 30 CEEDHN N#Cc1ccc(CNC[C@H]2COC3(CCCC3)O2)cc1 ZINC000271427261 191131358 /nfs/dbraw/zinc/13/13/58/191131358.db2.gz NKOIHMNKWDSNIX-HNNXBMFYSA-N 0 3 272.348 2.334 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000628546076 351135348 /nfs/dbraw/zinc/13/53/48/351135348.db2.gz NFKGOMXEEPNEIU-HOCLYGCPSA-N 0 3 294.439 2.491 20 30 CEEDHN C=CCN1CC[C@H](N2CCC[C@@H](OCCC)CC2)C1=O ZINC000337172706 366051050 /nfs/dbraw/zinc/05/10/50/366051050.db2.gz GSXYIZGHADMBBD-CABCVRRESA-N 0 3 280.412 2.054 20 30 CEEDHN CCN(Cc1ccc(CN(C)C)cc1)c1cnc(C#N)cn1 ZINC000123585423 187099759 /nfs/dbraw/zinc/09/97/59/187099759.db2.gz NEUFVHBYIKJKSR-UHFFFAOYSA-N 0 3 295.390 2.436 20 30 CEEDHN C=CC[C@@H](CO)CNCc1ccncc1Br ZINC000631107910 351966242 /nfs/dbraw/zinc/96/62/42/351966242.db2.gz PVHGYQKNGBPRMV-SNVBAGLBSA-N 0 3 285.185 2.118 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(CCOC)s1 ZINC000631150490 351987873 /nfs/dbraw/zinc/98/78/73/351987873.db2.gz AEUIQXKOHIUFHJ-OLZOCXBDSA-N 0 3 282.409 2.155 20 30 CEEDHN C=CCC[C@H](CO)NCc1cccc(NC(C)=O)c1 ZINC000631153864 351989561 /nfs/dbraw/zinc/98/95/61/351989561.db2.gz LWPRVQKRNRPCMN-OAHLLOKOSA-N 0 3 262.353 2.062 20 30 CEEDHN C=CC(C)(C)CCNCc1cn(C[C@H]2CCOC2)nn1 ZINC000631180186 352003916 /nfs/dbraw/zinc/00/39/16/352003916.db2.gz ATDZXKBERQEKEY-CYBMUJFWSA-N 0 3 278.400 2.007 20 30 CEEDHN C#CCSCCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000152934561 188053859 /nfs/dbraw/zinc/05/38/59/188053859.db2.gz MLHCZSLGODGHQI-UHFFFAOYSA-N 0 3 264.350 2.359 20 30 CEEDHN C=CCN(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000155934280 188236555 /nfs/dbraw/zinc/23/65/55/188236555.db2.gz NELKFQSJXSNQMS-ZBFHGGJFSA-N 0 3 287.407 2.334 20 30 CEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1sccc1C#N ZINC000336435105 213297096 /nfs/dbraw/zinc/29/70/96/213297096.db2.gz XFTNNZPOPCJQER-NSHDSACASA-N 0 3 291.420 2.422 20 30 CEEDHN CN1CCC2(CCCN2C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000336436025 213299310 /nfs/dbraw/zinc/29/93/10/213299310.db2.gz ZICYMKCRXUJEEV-UHFFFAOYSA-N 0 3 297.402 2.188 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@](O)(C2CC2)C1 ZINC000336425111 213285894 /nfs/dbraw/zinc/28/58/94/213285894.db2.gz JXFXPXMACGTIPO-BLLLJJGKSA-N 0 3 256.349 2.466 20 30 CEEDHN CN(CCCSCC#N)Cc1ccc2c(c1)OCO2 ZINC000074981355 363429683 /nfs/dbraw/zinc/42/96/83/363429683.db2.gz PSZQWGRAEGDMMB-UHFFFAOYSA-N 0 3 278.377 2.494 20 30 CEEDHN CN1CC=C(CNc2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000271879137 191386348 /nfs/dbraw/zinc/38/63/48/191386348.db2.gz UPDHIBQTPRLCLS-UHFFFAOYSA-N 0 3 272.308 2.140 20 30 CEEDHN N#Cc1ccc(C(=O)N[C@H]2CCN(C3CCCC3)C2)cc1 ZINC000334976982 283131708 /nfs/dbraw/zinc/13/17/08/283131708.db2.gz IDEFCYHBJCSNFX-HNNXBMFYSA-N 0 3 283.375 2.305 20 30 CEEDHN CCOC(=O)[C@H](C)[C@H](C)NCc1cc(C#N)ccc1OC ZINC000338296308 366279415 /nfs/dbraw/zinc/27/94/15/366279415.db2.gz NESBYICDMKGVPT-NEPJUHHUSA-N 0 3 290.363 2.244 20 30 CEEDHN C#CCNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000075814868 363490840 /nfs/dbraw/zinc/49/08/40/363490840.db2.gz DXQYNFKATKFXCD-ZDUSSCGKSA-N 0 3 279.409 2.063 20 30 CEEDHN N#Cc1csc(CN2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000336329555 213174815 /nfs/dbraw/zinc/17/48/15/213174815.db2.gz MEENDRBOHCMTIC-CYBMUJFWSA-N 0 3 289.404 2.064 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2conc2CC)CC1 ZINC000668370342 538893756 /nfs/dbraw/zinc/89/37/56/538893756.db2.gz VKCDLYAVFRTQLQ-UHFFFAOYSA-N 0 3 277.368 2.007 20 30 CEEDHN COC[C@]1(C)CCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000294333742 199002557 /nfs/dbraw/zinc/00/25/57/199002557.db2.gz XXFIPZAIEFFPTR-MRXNPFEDSA-N 0 3 274.364 2.425 20 30 CEEDHN Cc1ccnc(N2CC[C@@H](N3CCCCC3)C2)c1C#N ZINC000135077454 366392745 /nfs/dbraw/zinc/39/27/45/366392745.db2.gz YNPQZPQYBLKHOO-CQSZACIVSA-N 0 3 270.380 2.326 20 30 CEEDHN N#Cc1cnn2cc(CN3CCC[C@H]3C3CCC3)cnc12 ZINC000577851332 366406153 /nfs/dbraw/zinc/40/61/53/366406153.db2.gz VFPFERVPEVVPPY-HNNXBMFYSA-N 0 3 281.363 2.365 20 30 CEEDHN N#CCCC1CCN(C[C@@H](O)COCc2ccco2)CC1 ZINC000578189847 366457090 /nfs/dbraw/zinc/45/70/90/366457090.db2.gz FHASSWGHPSELHR-OAHLLOKOSA-N 0 3 292.379 2.173 20 30 CEEDHN CC1CCN(CCNCc2ccc(C#N)s2)CC1 ZINC000135679718 366466407 /nfs/dbraw/zinc/46/64/07/366466407.db2.gz INHTYSCGPVLLKF-UHFFFAOYSA-N 0 3 263.410 2.441 20 30 CEEDHN CC[C@H]1CN(C)CCN1CC#Cc1ccc(F)cc1 ZINC000578589400 366514606 /nfs/dbraw/zinc/51/46/06/366514606.db2.gz CGBYAFDMENIONN-INIZCTEOSA-N 0 3 260.356 2.203 20 30 CEEDHN CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000578616023 366520318 /nfs/dbraw/zinc/52/03/18/366520318.db2.gz LBYJNARTOPDYSZ-DLBZAZTESA-N 0 3 297.402 2.262 20 30 CEEDHN CC(C)(C)N1C[C@@H](NCc2ccc(C#N)cc2)CC1=O ZINC000080235545 363650249 /nfs/dbraw/zinc/65/02/49/363650249.db2.gz WTDYLVBOTVRMJP-AWEZNQCLSA-N 0 3 271.364 2.047 20 30 CEEDHN C[C@H](NC(=O)N1CCN[C@H](C)[C@H]1C)c1ccc(C#N)cc1 ZINC000417115053 237012308 /nfs/dbraw/zinc/01/23/08/237012308.db2.gz OXNNLGOJPLMNQW-FRRDWIJNSA-N 0 3 286.379 2.011 20 30 CEEDHN Cn1cc(CN[C@H](CO)CC2CCCCC2)cc1C#N ZINC000418119886 237295089 /nfs/dbraw/zinc/29/50/89/237295089.db2.gz AHJPREMIQFNVIF-HNNXBMFYSA-N 0 3 275.396 2.318 20 30 CEEDHN CC#CCN1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000080926416 363689099 /nfs/dbraw/zinc/68/90/99/363689099.db2.gz KMFPCMBQILNEDH-CQSZACIVSA-N 0 3 271.364 2.064 20 30 CEEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)CN1C1CC1 ZINC000151157035 366626158 /nfs/dbraw/zinc/62/61/58/366626158.db2.gz BCJBCRQCVSQUJA-RISCZKNCSA-N 0 3 273.355 2.412 20 30 CEEDHN CC(C)(C)OC(=O)CCNCc1ccc(C#N)s1 ZINC000176975058 189018210 /nfs/dbraw/zinc/01/82/10/189018210.db2.gz ABSQJWHZFOHFFF-UHFFFAOYSA-N 0 3 266.366 2.441 20 30 CEEDHN Cc1cc(CN2CCC([C@H](C)O)CC2)ccc1C#N ZINC000336305176 213145142 /nfs/dbraw/zinc/14/51/42/213145142.db2.gz WMDUUCSQHVFXSD-ZDUSSCGKSA-N 0 3 258.365 2.460 20 30 CEEDHN C#CCCCN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178057349 189087839 /nfs/dbraw/zinc/08/78/39/189087839.db2.gz RTFYACKVXFEVDP-NSHDSACASA-N 0 3 283.368 2.293 20 30 CEEDHN Cc1cc2cc(CNCCn3cnc(C#N)n3)oc2cc1C ZINC000353041925 219820142 /nfs/dbraw/zinc/82/01/42/219820142.db2.gz YYNFFDRXZNJJRJ-UHFFFAOYSA-N 0 3 295.346 2.303 20 30 CEEDHN CC(C)N(CC#Cc1cccc(Cl)c1)CCO ZINC000178920823 189154729 /nfs/dbraw/zinc/15/47/29/189154729.db2.gz IDHSONNLZUEQNB-UHFFFAOYSA-N 0 3 251.757 2.394 20 30 CEEDHN COCC#CCN(C)[C@@H](C)Cc1ccccc1OC ZINC000677820225 541046931 /nfs/dbraw/zinc/04/69/31/541046931.db2.gz JMGGFEZWYLVVRO-AWEZNQCLSA-N 0 3 261.365 2.208 20 30 CEEDHN CCN(CC)CCSc1nc(C)nc(C)c1C#N ZINC000181317752 189293752 /nfs/dbraw/zinc/29/37/52/189293752.db2.gz UEXUSUDXAKGSRI-UHFFFAOYSA-N 0 3 264.398 2.399 20 30 CEEDHN N#CCC[C@H](C#N)CNC[C@H]1CCCCN1C1CC1 ZINC000579948247 366727157 /nfs/dbraw/zinc/72/71/57/366727157.db2.gz WIMZQKSLSZQUPG-UKRRQHHQSA-N 0 3 260.385 2.036 20 30 CEEDHN C=CCN(C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000153594434 366736283 /nfs/dbraw/zinc/73/62/83/366736283.db2.gz HKVZTUBMFMWZCH-UHFFFAOYSA-N 0 3 253.390 2.078 20 30 CEEDHN CO[C@@H]1COC[C@@H]1N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000580168377 366759544 /nfs/dbraw/zinc/75/95/44/366759544.db2.gz PZUCHJKPQFUWDH-YESZJQIVSA-N 0 3 286.375 2.329 20 30 CEEDHN C=CCN(C)C(=O)NCCN1CCCC[C@H]1CC ZINC000154797232 366791403 /nfs/dbraw/zinc/79/14/03/366791403.db2.gz AXMGUXUMTWLRQR-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN C#CCN(Cc1cc(=O)n2cccc(C)c2n1)C1CCCC1 ZINC000155753591 366823422 /nfs/dbraw/zinc/82/34/22/366823422.db2.gz CBBMLNSFZNNHPP-UHFFFAOYSA-N 0 3 295.386 2.381 20 30 CEEDHN C#CCN(CCOC[C@@H]1CCCO1)C1CCCC1 ZINC000155881392 366823971 /nfs/dbraw/zinc/82/39/71/366823971.db2.gz YPHAXWBLKJLTMS-HNNXBMFYSA-N 0 3 251.370 2.060 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(OC(F)F)c(F)c1 ZINC000184287939 189382118 /nfs/dbraw/zinc/38/21/18/189382118.db2.gz FYXWMPXUZUDZSG-JTQLQIEISA-N 0 3 275.270 2.454 20 30 CEEDHN CS[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@@H]1N(C)C ZINC000342554813 216399007 /nfs/dbraw/zinc/39/90/07/216399007.db2.gz RQVTZJGYNXLDJU-LSDHHAIUSA-N 0 3 293.411 2.175 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C)[C@H](F)C2)CC1 ZINC000679291922 541245367 /nfs/dbraw/zinc/24/53/67/541245367.db2.gz CDBIVXKGRICJOI-DZGCQCFKSA-N 0 3 297.418 2.416 20 30 CEEDHN CCN(CC)C(=O)CN(C)CCCC(C)(C)C#N ZINC000087608579 363862132 /nfs/dbraw/zinc/86/21/32/363862132.db2.gz DJSRLLPTNRKUHC-UHFFFAOYSA-N 0 3 253.390 2.117 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2ccc[nH]2)CC1 ZINC000187800526 189477278 /nfs/dbraw/zinc/47/72/78/189477278.db2.gz DABDDAYKPKFKBI-AATRIKPKSA-N 0 3 273.380 2.185 20 30 CEEDHN CN(CCC#N)C(=O)CCN1CCC[C@H](C(F)(F)F)C1 ZINC000088420236 363895647 /nfs/dbraw/zinc/89/56/47/363895647.db2.gz VHAXKYTYWCHTLD-NSHDSACASA-N 0 3 291.317 2.023 20 30 CEEDHN COCC1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000087833427 363872011 /nfs/dbraw/zinc/87/20/11/363872011.db2.gz XWKYPWGNRIWYPN-UHFFFAOYSA-N 0 3 274.364 2.425 20 30 CEEDHN C=CCN(CCC(=O)N(C)CCC#N)Cc1cccs1 ZINC000092792743 364106652 /nfs/dbraw/zinc/10/66/52/364106652.db2.gz DUUIRQCXIWMGAK-UHFFFAOYSA-N 0 3 291.420 2.498 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000334636862 364112305 /nfs/dbraw/zinc/11/23/05/364112305.db2.gz ZWBKSXZIUXGNST-HNNXBMFYSA-N 0 3 250.386 2.143 20 30 CEEDHN CCOC[C@@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000093839364 364233045 /nfs/dbraw/zinc/23/30/45/364233045.db2.gz UHUKAWUOPMHWSW-LLVKDONJSA-N 0 3 250.367 2.478 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cc(OC)c(O)cc1Cl ZINC000638828826 370779974 /nfs/dbraw/zinc/77/99/74/370779974.db2.gz HEVPXTIDDSYOTI-SNVBAGLBSA-N 0 3 285.771 2.328 20 30 CEEDHN N#Cc1ccc(N[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000094591845 364281392 /nfs/dbraw/zinc/28/13/92/364281392.db2.gz RTQOPOBRLNAPLW-GFCCVEGCSA-N 0 3 272.308 2.115 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC2(CCCC2)CC1 ZINC000158357818 366855586 /nfs/dbraw/zinc/85/55/86/366855586.db2.gz FRSWRYNELXKZEX-CYBMUJFWSA-N 0 3 293.411 2.043 20 30 CEEDHN CC(C)C(=O)NCCN(C)CCCC(C)(C)C#N ZINC000157402260 366843700 /nfs/dbraw/zinc/84/37/00/366843700.db2.gz NSOXQFKQJKNZCA-UHFFFAOYSA-N 0 3 253.390 2.020 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC23CCC3)cc1 ZINC000335327932 364687275 /nfs/dbraw/zinc/68/72/75/364687275.db2.gz IMLNXXBNACIYFW-HNNXBMFYSA-N 0 3 279.343 2.396 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000335292085 364679368 /nfs/dbraw/zinc/67/93/68/364679368.db2.gz KRFMXRLLOZGYLC-OCCSQVGLSA-N 0 3 257.337 2.249 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(SC)cn2)CC1 ZINC000116241903 365045758 /nfs/dbraw/zinc/04/57/58/365045758.db2.gz FGXHIPNTKBYVBO-UHFFFAOYSA-N 0 3 289.404 2.087 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000335824745 365034503 /nfs/dbraw/zinc/03/45/03/365034503.db2.gz XFIJJKABHVSDSK-ABAIWWIYSA-N 0 3 260.312 2.475 20 30 CEEDHN C=CC[C@@H](C)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000117036971 365089420 /nfs/dbraw/zinc/08/94/20/365089420.db2.gz NQPRFNYCPDRTLF-GDBMZVCRSA-N 0 3 289.423 2.423 20 30 CEEDHN CC(C#N)C(=O)N1CCSC[C@@H]1c1ccccc1 ZINC000335904142 365141474 /nfs/dbraw/zinc/14/14/74/365141474.db2.gz VYPJSUGPOSSJQJ-WCQYABFASA-N 0 3 260.362 2.463 20 30 CEEDHN CCN1CCC(N(C)C(=O)c2cc(C#N)oc2C)CC1 ZINC000335907038 365145741 /nfs/dbraw/zinc/14/57/41/365145741.db2.gz HEQMMNLHAMVSLG-UHFFFAOYSA-N 0 3 275.352 2.016 20 30 CEEDHN C[C@@H](C(=O)N(C)[C@@H]1CN2CCC1CC2)c1cccc(C#N)c1 ZINC000335908613 365148546 /nfs/dbraw/zinc/14/85/46/365148546.db2.gz VUGUNMWUOIPDSM-CXAGYDPISA-N 0 3 297.402 2.214 20 30 CEEDHN CN1CCC[C@@]2(CCN(C(=O)C3(C#N)CCCC3)C2)C1 ZINC000335974825 365240322 /nfs/dbraw/zinc/24/03/22/365240322.db2.gz FLLVBJKZIQPYLI-OAHLLOKOSA-N 0 3 275.396 2.015 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)[C@@H]1CNCCC1(F)F ZINC000638876413 370814274 /nfs/dbraw/zinc/81/42/74/370814274.db2.gz YYCCRLKPJYFVCJ-NSHDSACASA-N 0 3 274.355 2.340 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000119949692 365349069 /nfs/dbraw/zinc/34/90/69/365349069.db2.gz DTPAUYDYVQGDKB-GASCZTMLSA-N 0 3 291.439 2.468 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000336065029 365359038 /nfs/dbraw/zinc/35/90/38/365359038.db2.gz AWRWFALFKHDJLX-GXTWGEPZSA-N 0 3 286.379 2.471 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1sccc1C#N ZINC000120661194 365457839 /nfs/dbraw/zinc/45/78/39/365457839.db2.gz ZYKVNPCZSMWROX-PWSUYJOCSA-N 0 3 277.393 2.032 20 30 CEEDHN C[C@@H](O)C[C@@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000159248028 366893172 /nfs/dbraw/zinc/89/31/72/366893172.db2.gz SUWDGTOLKGYONB-RISCZKNCSA-N 0 3 262.328 2.433 20 30 CEEDHN C[C@H](O)C[C@@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000159247908 366893251 /nfs/dbraw/zinc/89/32/51/366893251.db2.gz SUWDGTOLKGYONB-FZMZJTMJSA-N 0 3 262.328 2.433 20 30 CEEDHN CN(CCc1ccncc1)Cc1ccc(C#N)cn1 ZINC000582702436 366945518 /nfs/dbraw/zinc/94/55/18/366945518.db2.gz XBQNSXLXGCWKGT-UHFFFAOYSA-N 0 3 252.321 2.023 20 30 CEEDHN Cc1cc(CN2C[C@H](C)C[C@@H](CO)C2)ccc1C#N ZINC000335557381 212263193 /nfs/dbraw/zinc/26/31/93/212263193.db2.gz VHACCBNAAQTKCF-IUODEOHRSA-N 0 3 258.365 2.317 20 30 CEEDHN Cc1ccc(C#N)c(N[C@@H]2CN(C(C)C)C[C@@H]2C)n1 ZINC000161815532 367114541 /nfs/dbraw/zinc/11/45/41/367114541.db2.gz HLNYORJHYCVPSM-SMDDNHRTSA-N 0 3 258.369 2.402 20 30 CEEDHN COc1ccc([C@@H](NC(=O)C(C)C#N)C2CC2)cc1 ZINC000357826925 370830895 /nfs/dbraw/zinc/83/08/95/370830895.db2.gz MNAILKTYRDKONB-YGRLFVJLSA-N 0 3 258.321 2.422 20 30 CEEDHN CC(C#N)C(=O)NCc1ccccc1OC(F)(F)F ZINC000357834831 370831006 /nfs/dbraw/zinc/83/10/06/370831006.db2.gz SKVDNODZYNJACP-QMMMGPOBSA-N 0 3 272.226 2.361 20 30 CEEDHN C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000631468327 367338066 /nfs/dbraw/zinc/33/80/66/367338066.db2.gz JVSKJBBZMAQGJA-OLZOCXBDSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](C)C[S@](C)=O)cc1 ZINC000168143405 367346987 /nfs/dbraw/zinc/34/69/87/367346987.db2.gz OMIHUJIYDDRKMB-KPZWWZAWSA-N 0 3 267.394 2.108 20 30 CEEDHN N#Cc1ccc(CNCCc2cccc(C#N)c2)o1 ZINC000341485083 367351879 /nfs/dbraw/zinc/35/18/79/367351879.db2.gz MGCQOAFWGHJZTO-UHFFFAOYSA-N 0 3 251.289 2.355 20 30 CEEDHN CCC[C@@H]1CN(CCCC#N)CCN1CCCC#N ZINC000164377661 367285755 /nfs/dbraw/zinc/28/57/55/367285755.db2.gz KFOQGBNCFMBRCB-OAHLLOKOSA-N 0 3 262.401 2.380 20 30 CEEDHN C=C(C)COCCNCc1cn(C(C)C)nc1C ZINC000341367608 367307261 /nfs/dbraw/zinc/30/72/61/367307261.db2.gz ABMSULWBRMGGCS-UHFFFAOYSA-N 0 3 251.374 2.455 20 30 CEEDHN C=CCCN(C)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000342373857 367404134 /nfs/dbraw/zinc/40/41/34/367404134.db2.gz KWUUULKGJLZYJG-UHFFFAOYSA-N 0 3 297.443 2.093 20 30 CEEDHN CC(C#N)C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000342549744 367420223 /nfs/dbraw/zinc/42/02/23/367420223.db2.gz PGMIGSDQVUZGDX-VIFPVBQESA-N 0 3 264.275 2.272 20 30 CEEDHN CC(C)(C#N)CNC1CCN(CC(F)(F)F)CC1 ZINC000168922806 367363692 /nfs/dbraw/zinc/36/36/92/367363692.db2.gz CLWPMNNGQDCOCR-UHFFFAOYSA-N 0 3 263.307 2.152 20 30 CEEDHN CSC[C@H](C)NCc1cnc2ccc(C#N)cn12 ZINC000342796974 367542121 /nfs/dbraw/zinc/54/21/21/367542121.db2.gz MEVILNZVSFKTQJ-JTQLQIEISA-N 0 3 260.366 2.047 20 30 CEEDHN C=CCCN(C)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000342737992 367507921 /nfs/dbraw/zinc/50/79/21/367507921.db2.gz MTGRYCJJSZKIIQ-UHFFFAOYSA-N 0 3 257.337 2.011 20 30 CEEDHN C=CCN1CCC(NC(=O)N2Cc3ccccc3C2)CC1 ZINC000171739321 367606999 /nfs/dbraw/zinc/60/69/99/367606999.db2.gz IZZCMMPBSLFCET-UHFFFAOYSA-N 0 3 285.391 2.362 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2cccc(OC)c2)CC1 ZINC000171679985 367591838 /nfs/dbraw/zinc/59/18/38/367591838.db2.gz ARHBZCDXOPSIJT-UHFFFAOYSA-N 0 3 289.379 2.467 20 30 CEEDHN CC1(C)CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000343005005 367630280 /nfs/dbraw/zinc/63/02/80/367630280.db2.gz ULFVXCIVORZXTE-UHFFFAOYSA-N 0 3 271.364 2.049 20 30 CEEDHN CC(C)C[C@@H]1CCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000572524445 299375933 /nfs/dbraw/zinc/37/59/33/299375933.db2.gz PBRSOXSEGKFNJH-ZDUSSCGKSA-N 0 3 283.379 2.469 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682038998 541624287 /nfs/dbraw/zinc/62/42/87/541624287.db2.gz OLKXEYVOHWPDMS-NWDGAFQWSA-N 0 3 281.318 2.357 20 30 CEEDHN CC[C@H](C)N[C@@H](CNc1cnc(C#N)cn1)c1ccco1 ZINC000343245188 367722044 /nfs/dbraw/zinc/72/20/44/367722044.db2.gz BTHHCNAYIKDKOC-AAEUAGOBSA-N 0 3 285.351 2.483 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000245961845 370894692 /nfs/dbraw/zinc/89/46/92/370894692.db2.gz SHXLKBONBXLZKZ-CJNGLKHVSA-N 0 3 285.391 2.279 20 30 CEEDHN C[C@H]1[C@H](Nc2cc(C#N)c3ccccc3n2)CCCN1C ZINC000343597534 367907900 /nfs/dbraw/zinc/90/79/00/367907900.db2.gz HXIJZEQVMINLOD-SWLSCSKDSA-N 0 3 280.375 2.423 20 30 CEEDHN C=C1CC(C)(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000632768693 367908470 /nfs/dbraw/zinc/90/84/70/367908470.db2.gz WJDYKJKZCPFMSK-CQSZACIVSA-N 0 3 262.397 2.476 20 30 CEEDHN C#CCCCN[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173451732 367912418 /nfs/dbraw/zinc/91/24/18/367912418.db2.gz YLOXDHFREFILHC-CYBMUJFWSA-N 0 3 294.420 2.001 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CC(C)(C)OC)CC1 ZINC000173196308 367881633 /nfs/dbraw/zinc/88/16/33/367881633.db2.gz JSKHVJDRZFKOSY-ZDUSSCGKSA-N 0 3 297.443 2.140 20 30 CEEDHN N#Cc1csc(CNCCNC(=O)CC2CCCC2)c1 ZINC000343881569 368056955 /nfs/dbraw/zinc/05/69/55/368056955.db2.gz CZKCKPINGNALFF-UHFFFAOYSA-N 0 3 291.420 2.406 20 30 CEEDHN N#Cc1ccc(CNC2CCN(Cc3ccncc3)CC2)o1 ZINC000174280620 368006005 /nfs/dbraw/zinc/00/60/05/368006005.db2.gz WODSQNBIWLOQLP-UHFFFAOYSA-N 0 3 296.374 2.300 20 30 CEEDHN CO[C@H](C)CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000344153266 368111845 /nfs/dbraw/zinc/11/18/45/368111845.db2.gz KSYXHRKNVWECJJ-UKRRQHHQSA-N 0 3 274.364 2.252 20 30 CEEDHN CC[C@H](CC(F)(F)F)N[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345115252 368158451 /nfs/dbraw/zinc/15/84/51/368158451.db2.gz SYESFWYVUPGZJL-VHSXEESVSA-N 0 3 291.317 2.258 20 30 CEEDHN C[C@]1(CO)CCC[C@@H]1NCc1cc(C#N)cs1 ZINC000304612020 201670312 /nfs/dbraw/zinc/67/03/12/201670312.db2.gz FLEFJMHJQDMMIL-QWHCGFSZSA-N 0 3 250.367 2.260 20 30 CEEDHN C=CCNC(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000180515347 368384574 /nfs/dbraw/zinc/38/45/74/368384574.db2.gz OISSMWJMIYHOAI-SECBINFHSA-N 0 3 290.273 2.341 20 30 CEEDHN C[C@@H](NCCN1CCOC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000346148519 368562434 /nfs/dbraw/zinc/56/24/34/368562434.db2.gz WZALACCOWLMHNB-CHWSQXEVSA-N 0 3 291.370 2.069 20 30 CEEDHN C[C@H](NCCc1cnccn1)c1ccc(C#N)c(F)c1 ZINC000346156328 368565997 /nfs/dbraw/zinc/56/59/97/368565997.db2.gz GWWUAPWWQXOMAI-NSHDSACASA-N 0 3 270.311 2.381 20 30 CEEDHN CCOC(=O)C[C@H](C)N(C)Cc1cc(C#N)cs1 ZINC000183185559 368614821 /nfs/dbraw/zinc/61/48/21/368614821.db2.gz NMCAVAREBOYGRT-JTQLQIEISA-N 0 3 266.366 2.393 20 30 CEEDHN Cc1ccccc1[C@@H]1CN(C(=O)C(C)C#N)[C@@H](C)CO1 ZINC000346301247 368626820 /nfs/dbraw/zinc/62/68/20/368626820.db2.gz PJWBHZSDGDSMRP-YDHLFZDLSA-N 0 3 272.348 2.443 20 30 CEEDHN CCOc1ccc(C#N)cc1N[C@H]1CCN(CCOC)C1 ZINC000346311678 368630723 /nfs/dbraw/zinc/63/07/23/368630723.db2.gz DSEXCNKUVWDLEK-AWEZNQCLSA-N 0 3 289.379 2.090 20 30 CEEDHN C[C@@H](C[S@@](C)=O)NCc1cccc(OCCCC#N)c1 ZINC000184262033 368683346 /nfs/dbraw/zinc/68/33/46/368683346.db2.gz WNYWNKZZIHXEDW-RNODOKPDSA-N 0 3 294.420 2.226 20 30 CEEDHN C=C(C)CS(=O)(=O)NCCCN(C)Cc1ccccc1 ZINC000184313483 368687148 /nfs/dbraw/zinc/68/71/48/368687148.db2.gz PCAMHLZMUXBUFP-UHFFFAOYSA-N 0 3 296.436 2.004 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@]2(CC=CCC2)C1 ZINC000246327311 370945844 /nfs/dbraw/zinc/94/58/44/370945844.db2.gz GGMZIOPWFMWEBV-GDBMZVCRSA-N 0 3 262.397 2.499 20 30 CEEDHN CCOCCOCCN(C)Cc1ccc(CC#N)cc1 ZINC000346691455 368772946 /nfs/dbraw/zinc/77/29/46/368772946.db2.gz VVSBHAGNKYYAGY-UHFFFAOYSA-N 0 3 276.380 2.238 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)NC1CC1 ZINC000346654682 368754776 /nfs/dbraw/zinc/75/47/76/368754776.db2.gz NRHXUHYVGDKOMP-LLVKDONJSA-N 0 3 264.394 2.403 20 30 CEEDHN CN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CN2CCC1CC2 ZINC000347960367 368840924 /nfs/dbraw/zinc/84/09/24/368840924.db2.gz XFQXYPVNBMBVRE-KRWDZBQOSA-N 0 3 297.402 2.043 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)[C@@H](CO)CC(C)C ZINC000185357524 368795694 /nfs/dbraw/zinc/79/56/94/368795694.db2.gz ATWDKOCDIIQSBY-OAHLLOKOSA-N 0 3 276.380 2.406 20 30 CEEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000185813689 368866266 /nfs/dbraw/zinc/86/62/66/368866266.db2.gz MJJSPDHRHDSSCV-LZWOXQAQSA-N 0 3 283.375 2.464 20 30 CEEDHN C=CCOCCCN1CCC(N2CCCCC2=O)CC1 ZINC000348057841 368879380 /nfs/dbraw/zinc/87/93/80/368879380.db2.gz UEOGGWOBEMLLTK-UHFFFAOYSA-N 0 3 280.412 2.056 20 30 CEEDHN C=CCN(C)C[C@@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000348112489 368903610 /nfs/dbraw/zinc/90/36/10/368903610.db2.gz WCZGPBXJOZPHAH-NEPJUHHUSA-N 0 3 269.389 2.173 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000186699594 369021881 /nfs/dbraw/zinc/02/18/81/369021881.db2.gz IGRMEZBWMOTHSX-ABAIWWIYSA-N 0 3 262.353 2.233 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000186694999 369022101 /nfs/dbraw/zinc/02/21/01/369022101.db2.gz MXEXUMCCTSHGLK-JQWIXIFHSA-N 0 3 250.298 2.182 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000186704508 369023609 /nfs/dbraw/zinc/02/36/09/369023609.db2.gz RFVLMKXSJKATOC-YPMHNXCESA-N 0 3 295.379 2.300 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc2cnccc21 ZINC000574275908 335006109 /nfs/dbraw/zinc/00/61/09/335006109.db2.gz UQOXPAGAUUOEQL-CYBMUJFWSA-N 0 3 268.320 2.194 20 30 CEEDHN CCS[C@@H]1CCC[C@@H]1NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000348475308 369057144 /nfs/dbraw/zinc/05/71/44/369057144.db2.gz DMHDBXZEHODAEH-GUTXKFCHSA-N 0 3 297.468 2.305 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187293573 369133410 /nfs/dbraw/zinc/13/34/10/369133410.db2.gz YPBXWZDGUZAWNU-INIZCTEOSA-N 0 3 297.402 2.190 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](OCCO)C1 ZINC000187687828 369204370 /nfs/dbraw/zinc/20/43/70/369204370.db2.gz GWTWMNQMGMYRMJ-CJNGLKHVSA-N 0 3 274.364 2.093 20 30 CEEDHN C=CCCCN1CCN(C(=O)N(C)C)CC1(C)C ZINC000348945497 369205238 /nfs/dbraw/zinc/20/52/38/369205238.db2.gz CCQCOLIRRWMVQQ-UHFFFAOYSA-N 0 3 253.390 2.030 20 30 CEEDHN C=CCCN(C)CC(=O)N(C)Cc1ccccc1F ZINC000276084186 193209697 /nfs/dbraw/zinc/20/96/97/193209697.db2.gz BFPQYRRTLVWPJU-UHFFFAOYSA-N 0 3 264.344 2.292 20 30 CEEDHN N#Cc1ccc(CNCC[C@@H](O)C(F)(F)F)s1 ZINC000349298708 369291524 /nfs/dbraw/zinc/29/15/24/369291524.db2.gz PTYVXRHKCXWRNM-SECBINFHSA-N 0 3 264.272 2.023 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)CC(F)(F)F ZINC000188619403 369383677 /nfs/dbraw/zinc/38/36/77/369383677.db2.gz HFDPUNAMSVVAJP-GFCCVEGCSA-N 0 3 272.270 2.303 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCSCC[C@@H]2C)CC1 ZINC000188691861 369395637 /nfs/dbraw/zinc/39/56/37/369395637.db2.gz CKOHHAZAEFEPAU-ZDUSSCGKSA-N 0 3 297.468 2.174 20 30 CEEDHN CC1(C)C[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349853489 369423760 /nfs/dbraw/zinc/42/37/60/369423760.db2.gz MDHZJHYMVVBRQS-GJZGRUSLSA-N 0 3 281.359 2.403 20 30 CEEDHN CCn1cc(CCN(C)Cc2cccc(C#N)c2)cn1 ZINC000276351139 193296186 /nfs/dbraw/zinc/29/61/86/193296186.db2.gz WJUPJUQFFOEFKS-UHFFFAOYSA-N 0 3 268.364 2.449 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN([C@H](C)CO)C1CCCC1 ZINC000351505118 369637879 /nfs/dbraw/zinc/63/78/79/369637879.db2.gz ZRIAPUPSRXFGFD-CQSZACIVSA-N 0 3 282.428 2.036 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN([C@@H](C)CO)C1CCCC1 ZINC000351505117 369638767 /nfs/dbraw/zinc/63/87/67/369638767.db2.gz ZRIAPUPSRXFGFD-AWEZNQCLSA-N 0 3 282.428 2.036 20 30 CEEDHN C=CCCCCNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000351660995 369646733 /nfs/dbraw/zinc/64/67/33/369646733.db2.gz JBACOVUHRADVPO-QWHCGFSZSA-N 0 3 253.390 2.125 20 30 CEEDHN C[C@@H]1Cc2ccccc2N1CCNCc1cc(C#N)n(C)c1 ZINC000190892904 369660001 /nfs/dbraw/zinc/66/00/01/369660001.db2.gz SQZYNTYLGAVTPV-CQSZACIVSA-N 0 3 294.402 2.438 20 30 CEEDHN CN(CCc1nccs1)Cc1cc(C#N)n(C)c1 ZINC000191430075 369712429 /nfs/dbraw/zinc/71/24/29/369712429.db2.gz VHDRHTHQTJURFV-UHFFFAOYSA-N 0 3 260.366 2.028 20 30 CEEDHN CO[C@]1(C)C[C@H](NCc2cc(C#N)n(C)c2)C1(C)C ZINC000191257516 369695333 /nfs/dbraw/zinc/69/53/33/369695333.db2.gz PYDPDIPKGZZXQI-DZGCQCFKSA-N 0 3 261.369 2.190 20 30 CEEDHN N#Cc1csc(CN[C@H]2CCO[C@]3(CCSC3)C2)n1 ZINC000352793538 369880061 /nfs/dbraw/zinc/88/00/61/369880061.db2.gz FXEVMYXOSWZDKY-GXFFZTMASA-N 0 3 295.433 2.159 20 30 CEEDHN C[C@@H](CNCc1nc(C#N)cs1)N1CCCC[C@H]1C ZINC000352820909 369895160 /nfs/dbraw/zinc/89/51/60/369895160.db2.gz DYQJNJHKBUBKKQ-NEPJUHHUSA-N 0 3 278.425 2.367 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000637320902 369898327 /nfs/dbraw/zinc/89/83/27/369898327.db2.gz SFQXPPBKZZVJKN-ZDUSSCGKSA-N 0 3 267.417 2.324 20 30 CEEDHN N#Cc1csc(CN[C@@H]2CCN(CC3CCCC3)C2)n1 ZINC000352835917 369903589 /nfs/dbraw/zinc/90/35/89/369903589.db2.gz LMPAPEBZAQAORY-CYBMUJFWSA-N 0 3 290.436 2.369 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000352946548 369955378 /nfs/dbraw/zinc/95/53/78/369955378.db2.gz JFICTMRHBRURPG-NEPJUHHUSA-N 0 3 281.318 2.093 20 30 CEEDHN C=CC[C@H](CO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193284720 369916860 /nfs/dbraw/zinc/91/68/60/369916860.db2.gz MURSMLAQZNLQAF-DOMZBBRYSA-N 0 3 276.336 2.499 20 30 CEEDHN COCC[C@H](COC)NCc1ccc(C#N)c(C)c1 ZINC000353063282 370004934 /nfs/dbraw/zinc/00/49/34/370004934.db2.gz SKAJEAZKMLVLBB-OAHLLOKOSA-N 0 3 262.353 2.008 20 30 CEEDHN N#Cc1ccc(CC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000194852592 370080815 /nfs/dbraw/zinc/08/08/15/370080815.db2.gz IUWWJEKBWCTDRQ-UHFFFAOYSA-N 0 3 297.402 2.188 20 30 CEEDHN CCOC(=O)[C@]1(C(C)C)CCN(CCCC#N)C1 ZINC000194859367 370081759 /nfs/dbraw/zinc/08/17/59/370081759.db2.gz CDUQSLAHPIONMN-CQSZACIVSA-N 0 3 252.358 2.201 20 30 CEEDHN N#Cc1ccc(CN(CCn2cccn2)C2CC2)cc1 ZINC000194957529 370090397 /nfs/dbraw/zinc/09/03/97/370090397.db2.gz BHEVMYDWBJAEIQ-UHFFFAOYSA-N 0 3 266.348 2.419 20 30 CEEDHN C=CCCCCCN(C)C(=O)NCCN(C)C1CC1 ZINC000353311277 370108867 /nfs/dbraw/zinc/10/88/67/370108867.db2.gz CETPTCNQLRXVQC-UHFFFAOYSA-N 0 3 267.417 2.468 20 30 CEEDHN C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H](C)N1C ZINC000219279298 370222487 /nfs/dbraw/zinc/22/24/87/370222487.db2.gz BIZMFUICXONBMI-TXEJJXNPSA-N 0 3 261.344 2.222 20 30 CEEDHN C=CCOc1ccccc1CN1CCC(OCCO)CC1 ZINC000354033237 370188235 /nfs/dbraw/zinc/18/82/35/370188235.db2.gz JNCOAGPITLTTAY-UHFFFAOYSA-N 0 3 291.391 2.225 20 30 CEEDHN C=CC(C)(C)CCNC(=O)C1(NC2CC2)CCC1 ZINC000638455091 370542996 /nfs/dbraw/zinc/54/29/96/370542996.db2.gz PXLLZGDQWFCGGV-UHFFFAOYSA-N 0 3 250.386 2.380 20 30 CEEDHN CC(C)(C)[C@H]1CCCN1CC(=O)N(CCC#N)CCC#N ZINC000355347387 370554477 /nfs/dbraw/zinc/55/44/77/370554477.db2.gz VKQGLLIUYUEWAG-CQSZACIVSA-N 0 3 290.411 2.153 20 30 CEEDHN N#Cc1cccc(CN2CCS[C@@H]3COCC[C@H]32)c1 ZINC000247352614 371097957 /nfs/dbraw/zinc/09/79/57/371097957.db2.gz YFVMOKHTVHFUNW-HUUCEWRRSA-N 0 3 274.389 2.265 20 30 CEEDHN C[C@H](NCCc1cnccn1)c1ccc(C#N)cc1F ZINC000358558638 371116723 /nfs/dbraw/zinc/11/67/23/371116723.db2.gz CRUHPTBFQTZJGZ-NSHDSACASA-N 0 3 270.311 2.381 20 30 CEEDHN COCCN1CC[C@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000358567417 371120818 /nfs/dbraw/zinc/12/08/18/371120818.db2.gz CLXGWKRZQPBGSX-OCCSQVGLSA-N 0 3 291.370 2.069 20 30 CEEDHN COCC[C@](C)(O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358588490 371127819 /nfs/dbraw/zinc/12/78/19/371127819.db2.gz LVDAPAXHPFHDMT-NHYWBVRUSA-N 0 3 280.343 2.135 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(Oc2ncccc2F)CC1 ZINC000683680822 541843553 /nfs/dbraw/zinc/84/35/53/541843553.db2.gz MYYGWUGJNQIYIE-CQSZACIVSA-N 0 3 280.343 2.001 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC000359479179 371463914 /nfs/dbraw/zinc/46/39/14/371463914.db2.gz YIBDWQXNSIUJFO-NSHDSACASA-N 0 3 272.339 2.188 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000639745048 371531843 /nfs/dbraw/zinc/53/18/43/371531843.db2.gz VSTUJUBYQQDHLJ-XHSDSOJGSA-N 0 3 295.471 2.214 20 30 CEEDHN CN(Cc1ccccc1C#N)[C@H]1CCN(C2CC2)C1 ZINC000353319327 220023968 /nfs/dbraw/zinc/02/39/68/220023968.db2.gz CUKXJRKFEBGPPX-INIZCTEOSA-N 0 3 255.365 2.227 20 30 CEEDHN CC#CCCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000361424716 371843559 /nfs/dbraw/zinc/84/35/59/371843559.db2.gz KNXMNDHRGQDGTP-HNNXBMFYSA-N 0 3 287.407 2.220 20 30 CEEDHN C[C@@H](O)[C@@H]1CCCCN1Cc1ccc(OCC#N)cc1 ZINC000264529026 371996012 /nfs/dbraw/zinc/99/60/12/371996012.db2.gz CPGBZRGJOVWHKX-CJNGLKHVSA-N 0 3 274.364 2.324 20 30 CEEDHN C[C@@](CO)(CNCc1ccc(C#N)o1)Cc1ccccc1 ZINC000361737702 372047393 /nfs/dbraw/zinc/04/73/93/372047393.db2.gz ZPSSONFRNZIFPK-KRWDZBQOSA-N 0 3 284.359 2.482 20 30 CEEDHN COC[C@H](NCc1ccc(C#N)c(F)c1)C(C)C ZINC000361767811 372063181 /nfs/dbraw/zinc/06/31/81/372063181.db2.gz QFPBQNQOOKQEAU-AWEZNQCLSA-N 0 3 250.317 2.458 20 30 CEEDHN N#Cc1csc(CNCc2ccc(OCCO)cc2)c1 ZINC000344191378 217093672 /nfs/dbraw/zinc/09/36/72/217093672.db2.gz UZLGDBTZJCXESU-UHFFFAOYSA-N 0 3 288.372 2.281 20 30 CEEDHN CC[C@@H](C)N(CCO)Cc1ccc(C#N)cc1OC ZINC000287337303 376209568 /nfs/dbraw/zinc/20/95/68/376209568.db2.gz KUTAVOSYDUGXHU-GFCCVEGCSA-N 0 3 262.353 2.160 20 30 CEEDHN CC[C@H](C)[C@H](O)CNCc1ccc(C#N)cc1F ZINC000344218881 217105456 /nfs/dbraw/zinc/10/54/56/217105456.db2.gz LALZBEBEZNIAGL-IINYFYTJSA-N 0 3 250.317 2.194 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000268795751 372226050 /nfs/dbraw/zinc/22/60/50/372226050.db2.gz HTPRYGZHWJZQCN-NSHDSACASA-N 0 3 298.308 2.496 20 30 CEEDHN C[C@H](NC(=O)CC1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000362503083 372391970 /nfs/dbraw/zinc/39/19/70/372391970.db2.gz RLAILXMCZXKVEK-ZDUSSCGKSA-N 0 3 285.391 2.467 20 30 CEEDHN C[C@H](CNCc1ccc(C#N)cc1F)Cn1ccnc1 ZINC000269410043 372443407 /nfs/dbraw/zinc/44/34/07/372443407.db2.gz JATYBLZXJMRMHP-GFCCVEGCSA-N 0 3 272.327 2.320 20 30 CEEDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCC1(C#N)CC1 ZINC000331955690 284326578 /nfs/dbraw/zinc/32/65/78/284326578.db2.gz KPQHMIXESWQCGD-DGCLKSJQSA-N 0 3 250.342 2.002 20 30 CEEDHN 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N#CCCCCN1CCC(Oc2cnccn2)CC1 ZINC000365843241 372949582 /nfs/dbraw/zinc/94/95/82/372949582.db2.gz DMPCBPPFCIBEEN-UHFFFAOYSA-N 0 3 260.341 2.014 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@H]1C[C@H](C)O ZINC000270873770 372992915 /nfs/dbraw/zinc/99/29/15/372992915.db2.gz AFADDJFNGFQKBW-WFASDCNBSA-N 0 3 274.364 2.302 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@@H](C(=O)OC)C2)c1 ZINC000271093905 373113918 /nfs/dbraw/zinc/11/39/18/373113918.db2.gz LTNWSOXTPTZUKP-CQSZACIVSA-N 0 3 275.348 2.246 20 30 CEEDHN CCCN(CCN(C)C)C(=O)c1cc(C#N)cs1 ZINC000344871976 217340302 /nfs/dbraw/zinc/34/03/02/217340302.db2.gz LBATWFSPKUKLQX-UHFFFAOYSA-N 0 3 265.382 2.034 20 30 CEEDHN CCN1CCc2c(cccc2Nc2cnc(C#N)cn2)C1 ZINC000368921350 373293432 /nfs/dbraw/zinc/29/34/32/373293432.db2.gz OPKSSMWPPWWXTP-UHFFFAOYSA-N 0 3 279.347 2.470 20 30 CEEDHN CCCCCCCC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000368949529 373300133 /nfs/dbraw/zinc/30/01/33/373300133.db2.gz IRSZVBGPFUOCRR-OAHLLOKOSA-N 0 3 284.444 2.262 20 30 CEEDHN C#Cc1cccc(NC(=O)NCC2=CCN(C)CC2)c1 ZINC000272049827 373280537 /nfs/dbraw/zinc/28/05/37/373280537.db2.gz ZDZRTXYSVCQJDH-UHFFFAOYSA-N 0 3 269.348 2.051 20 30 CEEDHN Cc1ccc(NC[C@H](c2ccsc2)N(C)C)nc1C#N ZINC000344970911 217373589 /nfs/dbraw/zinc/37/35/89/217373589.db2.gz JTASFENFNDUMDS-CQSZACIVSA-N 0 3 286.404 2.460 20 30 CEEDHN C=CCN(CCC(=O)OCC)CCc1ccco1 ZINC000272286289 373407793 /nfs/dbraw/zinc/40/77/93/373407793.db2.gz NNLYCGAYBBDCMK-UHFFFAOYSA-N 0 3 251.326 2.263 20 30 CEEDHN C#CCOc1ccc([C@@H](C)NC[C@H](COC)OC)cc1 ZINC000272639881 373594717 /nfs/dbraw/zinc/59/47/17/373594717.db2.gz CHKWRIBLBYJGTH-CZUORRHYSA-N 0 3 277.364 2.011 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000272855031 373681085 /nfs/dbraw/zinc/68/10/85/373681085.db2.gz LVAOPYDWFGTTDW-CZUORRHYSA-N 0 3 293.432 2.419 20 30 CEEDHN Cc1ccnc(N[C@H]2CN(C3CC3)C[C@@H]2C)c1C#N ZINC000273292751 373751750 /nfs/dbraw/zinc/75/17/50/373751750.db2.gz FWGBVQYCZLATTJ-FZMZJTMJSA-N 0 3 256.353 2.156 20 30 CEEDHN C=CCOCCN(C)Cc1ccc(OC)c(OC)c1 ZINC000645075482 373840243 /nfs/dbraw/zinc/84/02/43/373840243.db2.gz IUSLMSXLQMHDEY-UHFFFAOYSA-N 0 3 265.353 2.338 20 30 CEEDHN CN(CCN(C)C1CC1)c1snc(Cl)c1C#N ZINC000274417821 373914863 /nfs/dbraw/zinc/91/48/63/373914863.db2.gz BMHUWEGBAHXPMW-UHFFFAOYSA-N 0 3 270.789 2.199 20 30 CEEDHN C=CCC[C@H](O)CN1CCCC[C@H]1Cn1nc(C)nc1C ZINC000372019069 374023602 /nfs/dbraw/zinc/02/36/02/374023602.db2.gz QGSZSNOKPIVLGI-HOTGVXAUSA-N 0 3 292.427 2.077 20 30 CEEDHN CS(=O)(=O)CCCCCNCc1ccc(C#N)cc1F ZINC000274711559 374021565 /nfs/dbraw/zinc/02/15/65/374021565.db2.gz AFBSQRBNKZPQDI-UHFFFAOYSA-N 0 3 298.383 2.002 20 30 CEEDHN C=CCC[C@H](O)CN1CC[C@@H](O)c2ccccc2C1 ZINC000371822616 373987117 /nfs/dbraw/zinc/98/71/17/373987117.db2.gz MFMFWYAYZUPHCV-GOEBONIOSA-N 0 3 261.365 2.253 20 30 CEEDHN C#C[C@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000274762532 374041971 /nfs/dbraw/zinc/04/19/71/374041971.db2.gz PDQJVQQBGGVMCM-AWEZNQCLSA-N 0 3 270.376 2.037 20 30 CEEDHN CC[C@@H]1[C@H](C)CCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000274962156 374110262 /nfs/dbraw/zinc/11/02/62/374110262.db2.gz JABBQZOKLOMQSE-CZUORRHYSA-N 0 3 285.391 2.295 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1C[C@@H]2CCCCCC[C@H]21 ZINC000372589419 374163267 /nfs/dbraw/zinc/16/32/67/374163267.db2.gz PFNSLWXPSGVTQD-QLFBSQMISA-N 0 3 277.412 2.402 20 30 CEEDHN C=CC[C@@H](C(=O)NC[C@@H](C)N(C)C)c1ccccc1 ZINC000275166655 374175387 /nfs/dbraw/zinc/17/53/87/374175387.db2.gz SWORYDMTAVRLCP-UKRRQHHQSA-N 0 3 260.381 2.413 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNc1nnc(C)o1)C(C)C ZINC000275308798 374212132 /nfs/dbraw/zinc/21/21/32/374212132.db2.gz BTOJLSXSNYWZMT-ZDUSSCGKSA-N 0 3 264.373 2.489 20 30 CEEDHN C#CCCN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000276945068 374354509 /nfs/dbraw/zinc/35/45/09/374354509.db2.gz CVUVPHNBUXTTFR-KGLIPLIRSA-N 0 3 251.276 2.408 20 30 CEEDHN Cn1cc(CNCCOc2ccccc2F)cc1C#N ZINC000277044474 374387089 /nfs/dbraw/zinc/38/70/89/374387089.db2.gz MRDYVPCOGFIFHH-UHFFFAOYSA-N 0 3 273.311 2.204 20 30 CEEDHN CC#CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000277352252 374489201 /nfs/dbraw/zinc/48/92/01/374489201.db2.gz FIAHGURVHBOTOY-HOCLYGCPSA-N 0 3 270.376 2.179 20 30 CEEDHN CC#CCCN1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000374010967 374467181 /nfs/dbraw/zinc/46/71/81/374467181.db2.gz AYNWPWBHHFZXSF-SOUVJXGZSA-N 0 3 251.370 2.058 20 30 CEEDHN N#Cc1ccc(CNC[C@H]2CCCCN2C2CC2)o1 ZINC000277434545 374518961 /nfs/dbraw/zinc/51/89/61/374518961.db2.gz CWWCTSVZTHMOFT-CYBMUJFWSA-N 0 3 259.353 2.258 20 30 CEEDHN CCN1CC[C@H](N(C)C(=O)c2ccc(C#N)o2)C[C@@H]1C ZINC000334227639 206221110 /nfs/dbraw/zinc/22/11/10/206221110.db2.gz FQTJQAKLAGVZIH-RYUDHWBXSA-N 0 3 275.352 2.096 20 30 CEEDHN N#Cc1ccc(CN2CCCC[C@H]2Cn2ccnn2)cc1 ZINC000375834124 374682412 /nfs/dbraw/zinc/68/24/12/374682412.db2.gz WLYFLODYIRJYLQ-INIZCTEOSA-N 0 3 281.363 2.204 20 30 CEEDHN C[C@]1(NCC(=O)Nc2cccc(C#N)c2)CCO[C@@H]1C1CC1 ZINC000376863449 374747295 /nfs/dbraw/zinc/74/72/95/374747295.db2.gz CUWLZKHJPBBSPU-SJORKVTESA-N 0 3 299.374 2.044 20 30 CEEDHN N#Cc1cccc(CN[C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000377402172 374849020 /nfs/dbraw/zinc/84/90/20/374849020.db2.gz JQVHTJGYRUXEFR-RDJZCZTQSA-N 0 3 280.327 2.142 20 30 CEEDHN CN(CCN1CCOC(C)(C)C1)Cc1cccc(C#N)c1 ZINC000279727024 374967849 /nfs/dbraw/zinc/96/78/49/374967849.db2.gz MSSDRKIPQLKNGZ-UHFFFAOYSA-N 0 3 287.407 2.101 20 30 CEEDHN COC(=O)C(C)(C)CCNCc1ccc(OC)c(C#N)c1 ZINC000280266928 375148993 /nfs/dbraw/zinc/14/89/93/375148993.db2.gz LQWOZXHTZZNNQY-UHFFFAOYSA-N 0 3 290.363 2.246 20 30 CEEDHN C=CCOc1ccccc1CNCC1([S@@](C)=O)CC1 ZINC000380215702 375161709 /nfs/dbraw/zinc/16/17/09/375161709.db2.gz RSYXAYWNBOEJPC-LJQANCHMSA-N 0 3 279.405 2.252 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(SC)cc1 ZINC000380830913 375165708 /nfs/dbraw/zinc/16/57/08/375165708.db2.gz JTAJJVOFIXWEKQ-UHFFFAOYSA-N 0 3 276.405 2.093 20 30 CEEDHN COc1cc(CN[C@@H]2C[C@H](C)O[C@H]2C)ccc1C#N ZINC000385090748 375227686 /nfs/dbraw/zinc/22/76/86/375227686.db2.gz GDSKAGYOWLBEIH-COPLHBTASA-N 0 3 260.337 2.222 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(C)nn(C)c1Cl ZINC000280703171 375289641 /nfs/dbraw/zinc/28/96/41/375289641.db2.gz SQRANLKRRRHTBR-YPMHNXCESA-N 0 3 283.803 2.453 20 30 CEEDHN CN(C)C1(CNc2c(C#N)nnc3ccccc32)CC1 ZINC000397983084 375345049 /nfs/dbraw/zinc/34/50/49/375345049.db2.gz LLKUDNFWODSVGS-UHFFFAOYSA-N 0 3 267.336 2.008 20 30 CEEDHN C[C@H]1C[C@H](Nc2cc(C#N)ncn2)CN1Cc1ccccc1 ZINC000398124752 375347316 /nfs/dbraw/zinc/34/73/16/375347316.db2.gz HWJJTCIRGWLWCP-BBRMVZONSA-N 0 3 293.374 2.423 20 30 CEEDHN COc1cc(CN2C[C@H](C)C[C@H](CO)C2)ccc1C#N ZINC000398649971 375352799 /nfs/dbraw/zinc/35/27/99/375352799.db2.gz KWKBZGCVQBNSTB-OCCSQVGLSA-N 0 3 274.364 2.017 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ncc(Cl)n1C ZINC000281448948 375379983 /nfs/dbraw/zinc/37/99/83/375379983.db2.gz ACETVIOLGZLNFW-MFKMUULPSA-N 0 3 269.776 2.144 20 30 CEEDHN C=CCN1CCC(N[C@H](C)c2cc3n(n2)CCC3)CC1 ZINC000414108397 375796443 /nfs/dbraw/zinc/79/64/43/375796443.db2.gz GFWQDUUSNSAERL-CYBMUJFWSA-N 0 3 274.412 2.130 20 30 CEEDHN COc1cc(CN2CCC[C@H](CO)[C@H]2C)ccc1C#N ZINC000414587489 375870291 /nfs/dbraw/zinc/87/02/91/375870291.db2.gz VFIHEZXXYJUHQT-IUODEOHRSA-N 0 3 274.364 2.160 20 30 CEEDHN CCCN(C)CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416342741 376049271 /nfs/dbraw/zinc/04/92/71/376049271.db2.gz QBILVFPMMYPWOJ-MRXNPFEDSA-N 0 3 285.391 2.394 20 30 CEEDHN C=CC[C@H](C)NC(=O)NCc1ccc2c(c1)CNC2 ZINC000418583128 376316268 /nfs/dbraw/zinc/31/62/68/376316268.db2.gz NKMJELAEDOXAED-NSHDSACASA-N 0 3 259.353 2.054 20 30 CEEDHN C=CCCCN(C)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418627278 376317553 /nfs/dbraw/zinc/31/75/53/376317553.db2.gz APOSOAYFUHXXKN-MRXNPFEDSA-N 0 3 287.407 2.481 20 30 CEEDHN C=CC(C)(C)CN[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000419227837 376401581 /nfs/dbraw/zinc/40/15/81/376401581.db2.gz LIUTYBMCUPHTDH-CYBMUJFWSA-N 0 3 264.344 2.024 20 30 CEEDHN C=CCN(CCc1c(C)nc2ccccn2c1=O)C1CC1 ZINC000289427247 376394919 /nfs/dbraw/zinc/39/49/19/376394919.db2.gz XCABPHNPCLKLLP-UHFFFAOYSA-N 0 3 283.375 2.196 20 30 CEEDHN C[C@H]1CN(CCCCC(C)(C)C#N)[C@@H](C)CN1CCO ZINC000419325728 376441581 /nfs/dbraw/zinc/44/15/81/376441581.db2.gz BGGMINAAFFNVJJ-GJZGRUSLSA-N 0 3 281.444 2.093 20 30 CEEDHN CC[C@@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)OC ZINC000289786026 376500667 /nfs/dbraw/zinc/50/06/67/376500667.db2.gz KVEZIRONBBLPOW-INIZCTEOSA-N 0 3 298.390 2.473 20 30 CEEDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(F)c(C#N)c1 ZINC000334290606 206317381 /nfs/dbraw/zinc/31/73/81/206317381.db2.gz CKAXTSALQQMXFN-BXUZGUMPSA-N 0 3 287.338 2.006 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@H]2C1 ZINC000334302686 206336753 /nfs/dbraw/zinc/33/67/53/206336753.db2.gz CPJIYUFXLTUYSJ-SJORKVTESA-N 0 3 297.402 2.043 20 30 CEEDHN N#Cc1ccc(OC2CCN(CCn3cccn3)CC2)cc1 ZINC000264146259 190092911 /nfs/dbraw/zinc/09/29/11/190092911.db2.gz RQRWXMQLGRUETG-UHFFFAOYSA-N 0 3 296.374 2.298 20 30 CEEDHN N#Cc1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000307333508 376562236 /nfs/dbraw/zinc/56/22/36/376562236.db2.gz AKECYIGUKDMUAN-OAHLLOKOSA-N 0 3 279.347 2.035 20 30 CEEDHN N#Cc1ccc(NC(=O)NCCN2CCCCC2)cc1F ZINC000289882031 376544014 /nfs/dbraw/zinc/54/40/14/376544014.db2.gz SBLZACAJUKXGCE-UHFFFAOYSA-N 0 3 290.342 2.305 20 30 CEEDHN C=CCCC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000264285626 190101682 /nfs/dbraw/zinc/10/16/82/190101682.db2.gz VBRSRRWLGXYUAC-UHFFFAOYSA-N 0 3 290.407 2.252 20 30 CEEDHN C=C1CCN(C[C@@H](O)COc2ccccc2C)CC1 ZINC000264430735 190108877 /nfs/dbraw/zinc/10/88/77/190108877.db2.gz CGYSTALBAONYCJ-OAHLLOKOSA-N 0 3 261.365 2.387 20 30 CEEDHN C=C(C)CN1CCC(Nc2ccc(C#N)cn2)CC1 ZINC000264485744 190113119 /nfs/dbraw/zinc/11/31/19/190113119.db2.gz MUDZCOHDVPRIRD-UHFFFAOYSA-N 0 3 256.353 2.406 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](C2CCCC2)C1 ZINC000420963546 376749921 /nfs/dbraw/zinc/74/99/21/376749921.db2.gz NQZJQFPMOKYOHG-DZGCQCFKSA-N 0 3 277.412 2.259 20 30 CEEDHN C=CC[C@@H](CO)N[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000280007402 542117287 /nfs/dbraw/zinc/11/72/87/542117287.db2.gz GLSPYQLJSZJFSD-JSGCOSHPSA-N 0 3 277.364 2.218 20 30 CEEDHN O=C(NC[C@H](O)C1CC1)[C@@H]1CCCN1C1CCCC1 ZINC000328657865 376874876 /nfs/dbraw/zinc/87/48/76/376874876.db2.gz PWZHMFWFTOGOKP-KBPBESRZSA-N 0 3 266.385 2.121 20 30 CEEDHN C=CCCCCN1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000562529368 376922220 /nfs/dbraw/zinc/92/22/20/376922220.db2.gz XCZGHAYNSXZAGA-HNNXBMFYSA-N 0 3 280.412 2.056 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N(C1CC1)C1COC1 ZINC000562557724 376932712 /nfs/dbraw/zinc/93/27/12/376932712.db2.gz UDGUHJZXFCYNRR-CQSZACIVSA-N 0 3 284.359 2.149 20 30 CEEDHN C[C@H](NC(=O)NCCN1CCCC[C@@H]1C)[C@H]1CCCOC1 ZINC000329319430 376944576 /nfs/dbraw/zinc/94/45/76/376944576.db2.gz DPXUMEDZPJRBBW-KKUMJFAQSA-N 0 3 297.443 2.180 20 30 CEEDHN Cc1nnc(CNC(=O)CN2[C@H](C)CC[C@H]2C)n1C1CC1 ZINC000329403202 376960434 /nfs/dbraw/zinc/96/04/34/376960434.db2.gz CAASYVNOTOKUQO-GHMZBOCLSA-N 0 3 291.399 2.251 20 30 CEEDHN CC[C@@H]1C[C@@H](C(=O)NCC2=CCN(C)CC2)CC(=O)N1 ZINC000329412273 376962609 /nfs/dbraw/zinc/96/26/09/376962609.db2.gz FDQMLNNIUIKVLA-CHWSQXEVSA-N 0 3 279.384 2.350 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CCc2nc[nH]c2C1)N1CCCCCC1 ZINC000329671552 376987533 /nfs/dbraw/zinc/98/75/33/376987533.db2.gz SDGQRQRATKGKCJ-CHWSQXEVSA-N 0 3 290.411 2.488 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CCc2[nH]cnc2C1)N1CCCCCC1 ZINC000329671552 376987540 /nfs/dbraw/zinc/98/75/40/376987540.db2.gz SDGQRQRATKGKCJ-CHWSQXEVSA-N 0 3 290.411 2.488 20 30 CEEDHN N#Cc1cnn2cc(CN3CCC[C@@H]4CCC[C@H]43)cnc12 ZINC000563154862 377108791 /nfs/dbraw/zinc/10/87/91/377108791.db2.gz YPWVYIXXDQWBTD-DZGCQCFKSA-N 0 3 281.363 2.365 20 30 CEEDHN C=CCN(CCNC(=O)NC(C)C)CCc1ccccc1 ZINC000563046316 377075429 /nfs/dbraw/zinc/07/54/29/377075429.db2.gz XQFZQDHCURKDMD-UHFFFAOYSA-N 0 3 289.423 2.425 20 30 CEEDHN C=CCCCNCc1cnnn1Cc1ccccc1 ZINC000291742384 377208430 /nfs/dbraw/zinc/20/84/30/377208430.db2.gz PAAIZZLZLHNWPG-UHFFFAOYSA-N 0 3 256.353 2.382 20 30 CEEDHN C#CCN(C)CCCNc1nc(C(F)(F)F)ccc1C#N ZINC000292685823 377263559 /nfs/dbraw/zinc/26/35/59/377263559.db2.gz DXXOENKAOBOUJH-UHFFFAOYSA-N 0 3 296.296 2.339 20 30 CEEDHN CC(C)N1CC[C@@H](Nc2ncc3c(c2C#N)CCC3)C1 ZINC000563805934 377295268 /nfs/dbraw/zinc/29/52/68/377295268.db2.gz OKWYNADLECNLKW-CYBMUJFWSA-N 0 3 270.380 2.337 20 30 CEEDHN Clc1ccccc1C#CCN1CC[C@@H](c2nc[nH]n2)C1 ZINC000425556089 377371314 /nfs/dbraw/zinc/37/13/14/377371314.db2.gz ZMPSZHASLBDHBS-CYBMUJFWSA-N 0 3 286.766 2.299 20 30 CEEDHN CN(C)C(=O)C1(CNCc2cccc(C#N)c2)CCCC1 ZINC000264935578 190145836 /nfs/dbraw/zinc/14/58/36/190145836.db2.gz CUXWJKCWAYRYAN-UHFFFAOYSA-N 0 3 285.391 2.296 20 30 CEEDHN C#CCOc1ccccc1CNC[C@H](OC)C1CC1 ZINC000293058873 377412975 /nfs/dbraw/zinc/41/29/75/377412975.db2.gz SBTMMMZVTOLOIG-INIZCTEOSA-N 0 3 259.349 2.213 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000428584477 377495623 /nfs/dbraw/zinc/49/56/23/377495623.db2.gz CUTQFSXMIVFCII-UKRRQHHQSA-N 0 3 279.428 2.467 20 30 CEEDHN C[C@H]1CC[C@@H](N(C)CC(=O)NCc2cccc(C#N)c2)C1 ZINC000429575995 377517290 /nfs/dbraw/zinc/51/72/90/377517290.db2.gz FMMUERJWZFUAMM-XJKSGUPXSA-N 0 3 285.391 2.295 20 30 CEEDHN CCN(C)c1ccc(CNCC2(CC#N)CC2)cn1 ZINC000430040891 377523786 /nfs/dbraw/zinc/52/37/86/377523786.db2.gz SOCSDPHKFWVOBK-UHFFFAOYSA-N 0 3 258.369 2.321 20 30 CEEDHN C=CCOCCN[C@@H](C)c1ccc(OC)c(O)c1 ZINC000685653652 542175451 /nfs/dbraw/zinc/17/54/51/542175451.db2.gz DCWQVAPMXCPLOM-NSHDSACASA-N 0 3 251.326 2.254 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@H](N2CCCC2=O)CC1 ZINC000565049749 377544456 /nfs/dbraw/zinc/54/44/56/377544456.db2.gz SFXVPQXDHXZVIM-KGLIPLIRSA-N 0 3 263.385 2.156 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)c1ncc(C#N)cc1Cl ZINC000265238290 190168281 /nfs/dbraw/zinc/16/82/81/190168281.db2.gz SMXUDMJYNQDAAD-LLVKDONJSA-N 0 3 278.787 2.385 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CC(C)(C)[C@H]2CCC[C@@H]21)C1CC1 ZINC000332759749 377694428 /nfs/dbraw/zinc/69/44/28/377694428.db2.gz JEVWQHKONHMSOF-GRDNDAEWSA-N 0 3 289.423 2.305 20 30 CEEDHN CC(C#N)C(=O)NCCC1CC(OC(C)(C)C)C1 ZINC000432261288 377737007 /nfs/dbraw/zinc/73/70/07/377737007.db2.gz AOCWDDICUJXXOI-VOMCLLRMSA-N 0 3 252.358 2.246 20 30 CEEDHN C[C@@H](CCC#N)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000566301358 377754181 /nfs/dbraw/zinc/75/41/81/377754181.db2.gz XQIYNGYNQJUGFK-KBPBESRZSA-N 0 3 266.385 2.196 20 30 CEEDHN C[C@H](C(=O)NCC1(CC#N)CC1)N1[C@H](C)CC[C@@H]1C ZINC000435959344 377814923 /nfs/dbraw/zinc/81/49/23/377814923.db2.gz QENJMUKUQFAYAZ-FRRDWIJNSA-N 0 3 263.385 2.058 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)NCCN1CCC[C@H](C)C1 ZINC000437599710 377854414 /nfs/dbraw/zinc/85/44/14/377854414.db2.gz DEFMXCMOEQAMSL-HOCLYGCPSA-N 0 3 282.428 2.063 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)NCCN1CCC(C)CC1 ZINC000437629299 377856114 /nfs/dbraw/zinc/85/61/14/377856114.db2.gz YNAYVMYFGOULKK-INIZCTEOSA-N 0 3 282.428 2.063 20 30 CEEDHN C[C@H](C#N)CN(C)C(=O)[C@@H]1CCCN1C1CCCC1 ZINC000440125395 377928594 /nfs/dbraw/zinc/92/85/94/377928594.db2.gz ZEOPUMQPVWMKMZ-OCCSQVGLSA-N 0 3 263.385 2.011 20 30 CEEDHN C=C(CC)CN1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440508837 377930174 /nfs/dbraw/zinc/93/01/74/377930174.db2.gz UIRNRSFSNRLXER-MRXNPFEDSA-N 0 3 282.428 2.348 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000438974797 377914652 /nfs/dbraw/zinc/91/46/52/377914652.db2.gz PJPOTULEYAHWKR-ZHSDAYTOSA-N 0 3 258.321 2.215 20 30 CEEDHN CCS(=O)(=O)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442828728 378006547 /nfs/dbraw/zinc/00/65/47/378006547.db2.gz QLDNAPCKADFMJY-ZIAGYGMSSA-N 0 3 292.404 2.262 20 30 CEEDHN CO[C@H](CNCc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000294679586 378009131 /nfs/dbraw/zinc/00/91/31/378009131.db2.gz BKRZJCHPDBAUQX-KRWDZBQOSA-N 0 3 283.375 2.244 20 30 CEEDHN C#CCN(C)CCCN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000294979733 378032677 /nfs/dbraw/zinc/03/26/77/378032677.db2.gz KMQYHAGCOOPPCG-INIZCTEOSA-N 0 3 282.391 2.044 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC1(F)F)C(C)C ZINC000294980830 378033170 /nfs/dbraw/zinc/03/31/70/378033170.db2.gz RXZCNAQEGTXWIT-CHWSQXEVSA-N 0 3 286.366 2.456 20 30 CEEDHN CCN1CCC[C@H]1CNc1ccc(C(F)(F)F)c(C#N)n1 ZINC000443411201 378051564 /nfs/dbraw/zinc/05/15/64/378051564.db2.gz QPGKHIRPMOUDOA-JTQLQIEISA-N 0 3 298.312 2.290 20 30 CEEDHN COCCOC[C@H](C)NCc1ccc(C#N)c(C)c1 ZINC000443988585 378074241 /nfs/dbraw/zinc/07/42/41/378074241.db2.gz LQWWCBJPBFSVMB-ZDUSSCGKSA-N 0 3 262.353 2.008 20 30 CEEDHN C=C[C@@H]1CCCCN1[C@H]1CCCN(C(C)C)C1=O ZINC000447880227 378151125 /nfs/dbraw/zinc/15/11/25/378151125.db2.gz UJZUDTYDAUBBNG-KGLIPLIRSA-N 0 3 250.386 2.426 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(-c2cc[nH]n2)o1 ZINC000449549334 378216146 /nfs/dbraw/zinc/21/61/46/378216146.db2.gz WUQHNUISGAIFOV-OCCSQVGLSA-N 0 3 273.336 2.493 20 30 CEEDHN C=CCCCNC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000447953777 378164241 /nfs/dbraw/zinc/16/42/41/378164241.db2.gz JSWHKIHMHUBYDZ-KBPBESRZSA-N 0 3 267.417 2.372 20 30 CEEDHN Cc1cc(C[C@H](C)NC(=O)C(C)C#N)n(-c2ccccc2)n1 ZINC000448449861 378171638 /nfs/dbraw/zinc/17/16/38/378171638.db2.gz SHUAWZWHTHZJRR-OLZOCXBDSA-N 0 3 296.374 2.388 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cnc2c(cnn2C(C)C)c1 ZINC000449698862 378222136 /nfs/dbraw/zinc/22/21/36/378222136.db2.gz PMRHAYCMQLNHBW-HNNXBMFYSA-N 0 3 288.395 2.429 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000448703563 378180182 /nfs/dbraw/zinc/18/01/82/378180182.db2.gz BYBXQWSYPFKERM-OLZOCXBDSA-N 0 3 252.402 2.435 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccc(N(C)C(C)C)nc1 ZINC000449698674 378222271 /nfs/dbraw/zinc/22/22/71/378222271.db2.gz OJXKAUWZGJKKCG-OAHLLOKOSA-N 0 3 277.412 2.343 20 30 CEEDHN C=CC(C)(C)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000450031645 378275640 /nfs/dbraw/zinc/27/56/40/378275640.db2.gz HPOUAOPSKMZCRI-UHFFFAOYSA-N 0 3 282.428 2.204 20 30 CEEDHN CC[C@@H](CO)N(C)CC#Cc1cccc(Cl)c1 ZINC000295806379 378312288 /nfs/dbraw/zinc/31/22/88/378312288.db2.gz WLHRHXQMKKSNEO-AWEZNQCLSA-N 0 3 251.757 2.394 20 30 CEEDHN CC[C@@H](CCO)NC(=O)C(C#N)CCc1ccccc1 ZINC000450196085 378319807 /nfs/dbraw/zinc/31/98/07/378319807.db2.gz WSVNIUWUQADOSG-GJZGRUSLSA-N 0 3 274.364 2.036 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C)cc1 ZINC000296117249 378423728 /nfs/dbraw/zinc/42/37/28/378423728.db2.gz BSJXYNLFRAMLRC-UHFFFAOYSA-N 0 3 259.353 2.072 20 30 CEEDHN CC#CCN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000297170235 378669260 /nfs/dbraw/zinc/66/92/60/378669260.db2.gz ADFZFUXXVJYMDO-ZBFHGGJFSA-N 0 3 287.407 2.343 20 30 CEEDHN C[C@@H](NC[C@@]1(C)CCC(=O)N1)c1ccc(C#N)cc1F ZINC000453436645 378903553 /nfs/dbraw/zinc/90/35/53/378903553.db2.gz URZHEXFOQKJIBP-MEBBXXQBSA-N 0 3 275.327 2.017 20 30 CEEDHN C#CCCCCNCc1c(Br)cnn1C ZINC000278565900 194047054 /nfs/dbraw/zinc/04/70/54/194047054.db2.gz WSMKDXMILONPTM-UHFFFAOYSA-N 0 3 270.174 2.076 20 30 CEEDHN CN(C)CCN(Cc1cc(C#N)n(C)c1)Cc1ccco1 ZINC000289470362 197363820 /nfs/dbraw/zinc/36/38/20/197363820.db2.gz PIYJXQXBPJXSND-UHFFFAOYSA-N 0 3 286.379 2.054 20 30 CEEDHN CN(Cc1cccc(C#N)c1)C(=O)C12CCCN1CCC2 ZINC000278607004 194065049 /nfs/dbraw/zinc/06/50/49/194065049.db2.gz LNQXFPHLJDZSRL-UHFFFAOYSA-N 0 3 283.375 2.145 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000515053758 379179853 /nfs/dbraw/zinc/17/98/53/379179853.db2.gz VIOJXLYMELNARC-KKUMJFAQSA-N 0 3 284.363 2.075 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000515053758 379179862 /nfs/dbraw/zinc/17/98/62/379179862.db2.gz VIOJXLYMELNARC-KKUMJFAQSA-N 0 3 284.363 2.075 20 30 CEEDHN C[C@@H]1CCN(CCOCCC#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000516178675 379263697 /nfs/dbraw/zinc/26/36/97/379263697.db2.gz CEOFXUDRVVAECM-KGLIPLIRSA-N 0 3 296.411 2.216 20 30 CEEDHN C[C@@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C[C@H]1C ZINC000347588915 218283087 /nfs/dbraw/zinc/28/30/87/218283087.db2.gz KRVVSLSWKITYHF-ZIAGYGMSSA-N 0 3 285.391 2.152 20 30 CEEDHN CCN1CCC[C@@H]1CN(C)c1c(C#N)cccc1C#N ZINC000302905900 379474272 /nfs/dbraw/zinc/47/42/72/379474272.db2.gz WHIXDQNRDQORQT-OAHLLOKOSA-N 0 3 268.364 2.350 20 30 CEEDHN C[C@H]1CCCN(CCOc2ccc(C#N)cc2)[C@H]1CO ZINC000305185595 379677395 /nfs/dbraw/zinc/67/73/95/379677395.db2.gz PIYOMFQBYVHCDN-BBRMVZONSA-N 0 3 274.364 2.030 20 30 CEEDHN C=C1CCN(CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000267579588 190338785 /nfs/dbraw/zinc/33/87/85/190338785.db2.gz GCVMYJWUSKPNGN-UHFFFAOYSA-N 0 3 277.343 2.389 20 30 CEEDHN C[C@@H]1[C@@H](C)CCN1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528398741 379957966 /nfs/dbraw/zinc/95/79/66/379957966.db2.gz VGWMDGHQTFWWFY-UONOGXRCSA-N 0 3 296.370 2.016 20 30 CEEDHN CCC(C#N)(CC)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000528585626 380025112 /nfs/dbraw/zinc/02/51/12/380025112.db2.gz XPCNHPPMFFKKIU-ZDUSSCGKSA-N 0 3 265.401 2.117 20 30 CEEDHN CCC(C#N)(CC)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000528585624 380025127 /nfs/dbraw/zinc/02/51/27/380025127.db2.gz XPCNHPPMFFKKIU-CYBMUJFWSA-N 0 3 265.401 2.117 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000268111982 190377868 /nfs/dbraw/zinc/37/78/68/190377868.db2.gz IUESYVXAVDHMTH-WMLDXEAASA-N 0 3 284.403 2.271 20 30 CEEDHN CCC(C#N)(CC)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000529172958 380169865 /nfs/dbraw/zinc/16/98/65/380169865.db2.gz UJMUZEPNJPZARH-CQSZACIVSA-N 0 3 277.412 2.449 20 30 CEEDHN C[C@H](NCCc1cncn1C)c1ccc(C#N)cc1F ZINC000530354878 380201229 /nfs/dbraw/zinc/20/12/29/380201229.db2.gz XSUOXKHBOBTFGD-NSHDSACASA-N 0 3 272.327 2.324 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)Cc1cccc(C#N)c1 ZINC000531146907 380207821 /nfs/dbraw/zinc/20/78/21/380207821.db2.gz DCVDDRVJTJGUPI-CQSZACIVSA-N 0 3 285.391 2.091 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)N2CCC(CC#N)CC2)C1 ZINC000542892821 380320525 /nfs/dbraw/zinc/32/05/25/380320525.db2.gz FFFKQDQNYOPCKD-CQSZACIVSA-N 0 3 292.427 2.054 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)c2sccc2C#N)C1 ZINC000334751600 207016823 /nfs/dbraw/zinc/01/68/23/207016823.db2.gz INPAXXYAXATLMB-LBPRGKRZSA-N 0 3 277.393 2.174 20 30 CEEDHN Cc1noc(C2(C)CCN([C@@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000555422778 380826275 /nfs/dbraw/zinc/82/62/75/380826275.db2.gz GTDGAHWPMYXEJC-CHWSQXEVSA-N 0 3 274.368 2.424 20 30 CEEDHN Cc1noc(C2(C)CCN([C@@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000555422780 380826788 /nfs/dbraw/zinc/82/67/88/380826788.db2.gz GTDGAHWPMYXEJC-QWHCGFSZSA-N 0 3 274.368 2.424 20 30 CEEDHN C#CC(C)(C)N(C)C[C@@H](O)COc1ccccc1C ZINC000279328330 194386697 /nfs/dbraw/zinc/38/66/97/194386697.db2.gz SXZUSXIYAOQYEH-CQSZACIVSA-N 0 3 261.365 2.078 20 30 CEEDHN C=CCOc1ccccc1CN[C@H]1CCC(=O)NC1(C)C ZINC000495046893 381165772 /nfs/dbraw/zinc/16/57/72/381165772.db2.gz NLYCWPAJAXSAMC-HNNXBMFYSA-N 0 3 288.391 2.398 20 30 CEEDHN CC(C#N)C(=O)NCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000495523183 381175978 /nfs/dbraw/zinc/17/59/78/381175978.db2.gz CCYCUEJMPLLJPI-VXGBXAGGSA-N 0 3 295.383 2.052 20 30 CEEDHN C=CCC[C@H](O)CN1CCCC[C@@H]1COC(=O)NCCC ZINC000495642823 381179168 /nfs/dbraw/zinc/17/91/68/381179168.db2.gz UZHPOHTXGKOCQA-CABCVRRESA-N 0 3 298.427 2.304 20 30 CEEDHN C=CCN1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495654579 381179734 /nfs/dbraw/zinc/17/97/34/381179734.db2.gz FIGGIEXDRDUBKY-CQSZACIVSA-N 0 3 254.374 2.409 20 30 CEEDHN CN1C[C@H](CN[C@@H](CCCC#N)c2ccccc2)OC1=O ZINC000496553881 381217392 /nfs/dbraw/zinc/21/73/92/381217392.db2.gz UJJZLPAEGIOFGI-GJZGRUSLSA-N 0 3 287.363 2.462 20 30 CEEDHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000495733179 381183180 /nfs/dbraw/zinc/18/31/80/381183180.db2.gz ZJVXNCHTQBMPIR-JHJVBQTASA-N 0 3 279.384 2.278 20 30 CEEDHN C=CCC[C@@H](O)CN1CCCC[C@H]1COC(=O)NC1CC1 ZINC000495891305 381190090 /nfs/dbraw/zinc/19/00/90/381190090.db2.gz KEEVPGVTNMVKIQ-LSDHHAIUSA-N 0 3 296.411 2.057 20 30 CEEDHN N#CCCCCN1CCCC[C@H]1COC(=O)NC1CC1 ZINC000495997477 381191870 /nfs/dbraw/zinc/19/18/70/381191870.db2.gz FWNUTHBDCAHQSY-AWEZNQCLSA-N 0 3 279.384 2.423 20 30 CEEDHN C=CCCN1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000496191280 381202689 /nfs/dbraw/zinc/20/26/89/381202689.db2.gz WUDCIKDQAHZVJO-CYBMUJFWSA-N 0 3 252.358 2.306 20 30 CEEDHN Cc1nsc(NC(=O)C(C)C(F)(F)F)c1C#N ZINC000334817357 207127793 /nfs/dbraw/zinc/12/77/93/207127793.db2.gz CFKYZIVAZMPMIC-BYPYZUCNSA-N 0 3 263.244 2.460 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(F)cc2C#N)CCN1C ZINC000334860737 207203866 /nfs/dbraw/zinc/20/38/66/207203866.db2.gz MCPREBLTFRVVAF-GWCFXTLKSA-N 0 3 290.342 2.302 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000335337051 208222849 /nfs/dbraw/zinc/22/28/49/208222849.db2.gz XFFWPJGXAXYKCF-AWEZNQCLSA-N 0 3 289.379 2.310 20 30 CEEDHN CC(C#N)C(=O)N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000336561382 533112668 /nfs/dbraw/zinc/11/26/68/533112668.db2.gz ISIZEWZUYVMBRT-RYUDHWBXSA-N 0 3 277.393 2.113 20 30 CEEDHN CC(C#N)C(=O)NCCSCc1ccccc1C#N ZINC000347029286 533114149 /nfs/dbraw/zinc/11/41/49/533114149.db2.gz ARRMTOOCVHDGDZ-NSHDSACASA-N 0 3 273.361 2.067 20 30 CEEDHN CC(C)N(CC(=O)NCc1cccc(C#N)c1)C1CCC1 ZINC000354211911 220613331 /nfs/dbraw/zinc/61/33/31/220613331.db2.gz YXPIKSJFVXHVPX-UHFFFAOYSA-N 0 3 285.391 2.437 20 30 CEEDHN C=CCCCCNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000364284775 262195119 /nfs/dbraw/zinc/19/51/19/262195119.db2.gz DBHLHURJZTYGBK-OAHLLOKOSA-N 0 3 280.412 2.102 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C(C1CC1)C1CC1 ZINC000195227271 262248226 /nfs/dbraw/zinc/24/82/26/262248226.db2.gz AQCBQJWMXDSVLO-GFCCVEGCSA-N 0 3 277.412 2.115 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N1CCCN(CC(C)C)CC1 ZINC000364845852 262262638 /nfs/dbraw/zinc/26/26/38/262262638.db2.gz HEWNITDRVCPRCL-QGZVFWFLSA-N 0 3 296.455 2.406 20 30 CEEDHN COC[C@H](NCc1ccc(C#N)c(OC)c1)C1CC1 ZINC000281578036 195295153 /nfs/dbraw/zinc/29/51/53/195295153.db2.gz DAORHDJDEMBCNK-AWEZNQCLSA-N 0 3 260.337 2.081 20 30 CEEDHN COc1cc(CNC2CC(F)(F)C2)ccc1C#N ZINC000281694542 195340394 /nfs/dbraw/zinc/34/03/94/195340394.db2.gz NGSUOQGIWMRAOU-UHFFFAOYSA-N 0 3 252.264 2.454 20 30 CEEDHN COc1ccc(CN2CCC[C@H](CO)[C@H]2C)cc1C#N ZINC000412099019 533559077 /nfs/dbraw/zinc/55/90/77/533559077.db2.gz VYYPDPAOWDWYQT-TZMCWYRMSA-N 0 3 274.364 2.160 20 30 CEEDHN COc1ccc(CNC(=O)C(C)C#N)cc1Br ZINC000347121954 533639062 /nfs/dbraw/zinc/63/90/62/533639062.db2.gz ZTRXNVFAMSKRES-QMMMGPOBSA-N 0 3 297.152 2.234 20 30 CEEDHN C=CCCO[C@H](C)C(=O)Nc1cccc(CNC)c1 ZINC000237107390 131004659 /nfs/dbraw/zinc/00/46/59/131004659.db2.gz ZALBZCCHDKFFJD-GFCCVEGCSA-N 0 3 262.353 2.326 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(c2ccccc2C)CC1 ZINC000268670597 134456336 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ZINC000328629408 394554192 /nfs/dbraw/zinc/55/41/92/394554192.db2.gz IDNRFNBJAJZDEK-DOTOQJQBSA-N 0 3 288.439 2.148 20 30 CEEDHN C[C@H](C(=O)N[C@H]1CCc2nc[nH]c2C1)N1[C@H](C)CC[C@@H]1C ZINC000328916684 394556260 /nfs/dbraw/zinc/55/62/60/394556260.db2.gz APEBJQPDALROOJ-XQHKEYJVSA-N 0 3 290.411 2.485 20 30 CEEDHN C[C@H](C(=O)N[C@H]1CCc2[nH]cnc2C1)N1[C@H](C)CC[C@@H]1C ZINC000328916684 394556262 /nfs/dbraw/zinc/55/62/62/394556262.db2.gz APEBJQPDALROOJ-XQHKEYJVSA-N 0 3 290.411 2.485 20 30 CEEDHN CCN1CCCC[C@@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000334189872 394660962 /nfs/dbraw/zinc/66/09/62/394660962.db2.gz JCCAZEYPCQFYKQ-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)CCN1C ZINC000329940936 394596003 /nfs/dbraw/zinc/59/60/03/394596003.db2.gz BWHFMSAUKOVIBF-ZWNOBZJWSA-N 0 3 289.379 2.452 20 30 CEEDHN CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2csc(=O)[n-]2)C1 ZINC000329952498 394597181 /nfs/dbraw/zinc/59/71/81/394597181.db2.gz NFUPCMPPDFDVAV-SNVBAGLBSA-N 0 3 283.397 2.274 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252.314 2.323 20 30 CEEDHN CCN1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000112139751 394742798 /nfs/dbraw/zinc/74/27/98/394742798.db2.gz PSCJMJJVECLUNL-UHFFFAOYSA-N 0 3 286.423 2.174 20 30 CEEDHN CCCCNC(=[NH2+])NCc1c([O-])ccc2c1CCCC2 ZINC000267433962 394678590 /nfs/dbraw/zinc/67/85/90/394678590.db2.gz NKQXECAERVIUQL-UHFFFAOYSA-N 0 3 275.396 2.475 20 30 CEEDHN C[C@@H]1[C@H](C)N(CC#Cc2ccc(F)cc2)CCN1C ZINC000334450961 394686671 /nfs/dbraw/zinc/68/66/71/394686671.db2.gz UIWREYZTTLNDCL-KGLIPLIRSA-N 0 3 260.356 2.202 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCN(C)[C@H](C)[C@H]1C ZINC000357038022 394689133 /nfs/dbraw/zinc/68/91/33/394689133.db2.gz MHLPFZNEYRKEBT-CHWSQXEVSA-N 0 3 273.380 2.091 20 30 CEEDHN COC[C@@](C)(CCO)NCc1ccccc1C(C)(C)C#N ZINC000268991030 394706328 /nfs/dbraw/zinc/70/63/28/394706328.db2.gz SECVTFIDPNTFPO-QGZVFWFLSA-N 0 3 290.407 2.365 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC(C)(C)C[C@H]1C ZINC000335188200 394747699 /nfs/dbraw/zinc/74/76/99/394747699.db2.gz FLLZFSRPYQDTDB-NEPJUHHUSA-N 0 3 263.385 2.058 20 30 CEEDHN CNC(=O)C[C@@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000271495675 394758470 /nfs/dbraw/zinc/75/84/70/394758470.db2.gz LFOWDAIFUVRDBA-TZMCWYRMSA-N 0 3 259.353 2.146 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000119899592 394772655 /nfs/dbraw/zinc/77/26/55/394772655.db2.gz BLIBHDQLQGEDGS-CABCVRRESA-N 0 3 280.412 2.054 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000335600310 394780596 /nfs/dbraw/zinc/78/05/96/394780596.db2.gz IXKOLXSXXYIXAI-ZDUSSCGKSA-N 0 3 291.782 2.378 20 30 CEEDHN N#CCCCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000359981913 394782443 /nfs/dbraw/zinc/78/24/43/394782443.db2.gz AXFBXDKPAQXMKA-INIZCTEOSA-N 0 3 285.391 2.461 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C1(C#N)CCCC1 ZINC000335738350 394795743 /nfs/dbraw/zinc/79/57/43/394795743.db2.gz HLKZTVIJWSVXPT-CYBMUJFWSA-N 0 3 277.412 2.307 20 30 CEEDHN C=CCCCN(C)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360754705 394806707 /nfs/dbraw/zinc/80/67/07/394806707.db2.gz MZRNTPGINWZDJW-CQSZACIVSA-N 0 3 285.457 2.031 20 30 CEEDHN C=CC[C@H](CO)CNCc1cc(F)ccc1OC ZINC000360952277 394811172 /nfs/dbraw/zinc/81/11/72/394811172.db2.gz YOLNRZOBAVQEQC-NSHDSACASA-N 0 3 253.317 2.109 20 30 CEEDHN C[C@@H]1CN(CC#Cc2ccc(F)cc2)[C@H](C)CN1C ZINC000335975377 394816322 /nfs/dbraw/zinc/81/63/22/394816322.db2.gz SDQSBXVILBRPFO-ZIAGYGMSSA-N 0 3 260.356 2.202 20 30 CEEDHN CN(CCC1CC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279905223 394844810 /nfs/dbraw/zinc/84/48/10/394844810.db2.gz DRDPNXIXOONJSF-MRXNPFEDSA-N 0 3 281.359 2.499 20 30 CEEDHN CCS[C@@H](C)c1noc(CN(C)C(=O)C(C)C#N)n1 ZINC000362189790 394848587 /nfs/dbraw/zinc/84/85/87/394848587.db2.gz YTTUGVBHJUJLTN-BDAKNGLRSA-N 0 3 282.369 2.002 20 30 CEEDHN CC(C#N)C(=O)N1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000336513758 394861034 /nfs/dbraw/zinc/86/10/34/394861034.db2.gz YESAZXKYHTVQPA-KCJUWKMLSA-N 0 3 278.274 2.104 20 30 CEEDHN C=CCCC(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000363878407 394887688 /nfs/dbraw/zinc/88/76/88/394887688.db2.gz DVQSOCMUBCUBOR-CYBMUJFWSA-N 0 3 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BCDITXIXTJMKBG-ZDUSSCGKSA-N 0 3 250.386 2.332 20 30 CEEDHN CC#CCN[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000283644189 394936757 /nfs/dbraw/zinc/93/67/57/394936757.db2.gz AUURLYMCIQNIFZ-HUUCEWRRSA-N 0 3 264.319 2.323 20 30 CEEDHN C[C@@H](NCCOCCC#N)c1ccccc1-n1cccn1 ZINC000339069842 394940872 /nfs/dbraw/zinc/94/08/72/394940872.db2.gz XJSODUUYBKYXAF-CQSZACIVSA-N 0 3 284.363 2.453 20 30 CEEDHN CCN(CCC#N)C(=O)CN1C[C@@H]2CCCCCC[C@H]21 ZINC000366247534 394941098 /nfs/dbraw/zinc/94/10/98/394941098.db2.gz QFQQMAYODWBVPS-LSDHHAIUSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCCC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000284520753 394946164 /nfs/dbraw/zinc/94/61/64/394946164.db2.gz WQOBGUMSDFZSJC-OAHLLOKOSA-N 0 3 276.380 2.380 20 30 CEEDHN C[C@H](NCCOCCC#N)c1ccc2n[nH]cc2c1 ZINC000339194595 394950247 /nfs/dbraw/zinc/95/02/47/394950247.db2.gz FWTNUHDXTNCJST-NSHDSACASA-N 0 3 258.325 2.144 20 30 CEEDHN C=CCOc1ccc(CNC(=O)Cc2nc[nH]c2C)cc1 ZINC000285902766 394981884 /nfs/dbraw/zinc/98/18/84/394981884.db2.gz 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/nfs/dbraw/zinc/07/64/15/395076415.db2.gz GSPHMQSHXSOXDE-VIFPVBQESA-N 0 3 286.253 2.360 20 30 CEEDHN C#C[C@H](NCc1c(C)n(C)n(-c2ccccc2)c1=O)C(C)C ZINC000289518989 395079590 /nfs/dbraw/zinc/07/95/90/395079590.db2.gz PGPLXGSVUCGQOP-KRWDZBQOSA-N 0 3 297.402 2.232 20 30 CEEDHN CCCC(=O)Nc1ccc(CNC(=O)C(C)C#N)cc1 ZINC000345857632 395080685 /nfs/dbraw/zinc/08/06/85/395080685.db2.gz NGZKKBBIVDCXHX-LLVKDONJSA-N 0 3 273.336 2.201 20 30 CEEDHN CC(C)[C@H](CNC(=O)C(C)C#N)Nc1ccccc1 ZINC000345855297 395081024 /nfs/dbraw/zinc/08/10/24/395081024.db2.gz WZXVBWRHXWXBCG-JSGCOSHPSA-N 0 3 259.353 2.399 20 30 CEEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000289627833 395082100 /nfs/dbraw/zinc/08/21/00/395082100.db2.gz FAQFKNJXBNCEQT-GXSJLCMTSA-N 0 3 287.306 2.494 20 30 CEEDHN C=C[C@H](CO)N[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000289759166 395085477 /nfs/dbraw/zinc/08/54/77/395085477.db2.gz LOWNDRFDQMOJGB-CHWSQXEVSA-N 0 3 265.353 2.291 20 30 CEEDHN C#CCN[C@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374807800 395087809 /nfs/dbraw/zinc/08/78/09/395087809.db2.gz CRIDBOYIEYQXQF-ZFWWWQNUSA-N 0 3 282.309 2.462 20 30 CEEDHN C#Cc1ccccc1CC(=O)NC1CCN(CC(=C)C)CC1 ZINC000289822392 395088098 /nfs/dbraw/zinc/08/80/98/395088098.db2.gz AEJJQMIVACLGNB-UHFFFAOYSA-N 0 3 296.414 2.367 20 30 CEEDHN CN1CC[C@H]2CCN(c3nc4c(cc3C#N)CCCC4)C[C@@H]21 ZINC000375038597 395090051 /nfs/dbraw/zinc/09/00/51/395090051.db2.gz LVCKRAXVQAJQJI-GUYCJALGSA-N 0 3 296.418 2.362 20 30 CEEDHN C=C[C@@H](CO)N[C@H](C)CC(=O)Nc1ccccc1CC ZINC000289935721 395091703 /nfs/dbraw/zinc/09/17/03/395091703.db2.gz VRVFIMBAQBZYRK-OCCSQVGLSA-N 0 3 276.380 2.103 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000346241134 395092179 /nfs/dbraw/zinc/09/21/79/395092179.db2.gz HYGXBMLYCBXEMZ-VHSXEESVSA-N 0 3 266.728 2.383 20 30 CEEDHN C#Cc1ccccc1CC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000290050457 395093260 /nfs/dbraw/zinc/09/32/60/395093260.db2.gz MHERHFPJBZFELK-RHSMWYFYSA-N 0 3 284.403 2.009 20 30 CEEDHN C#C[C@H](NCc1cnc2c(c1)c(C)nn2C)C(C)(C)C 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395044309 /nfs/dbraw/zinc/04/43/09/395044309.db2.gz VXEVQWNMYCVHMT-CQSZACIVSA-N 0 3 293.386 2.060 20 30 CEEDHN CCOC(=O)[C@]1(COC)CCCN(CCC(C)(C)C#N)C1 ZINC000347190326 395120128 /nfs/dbraw/zinc/12/01/28/395120128.db2.gz CSEBGDHBUIZFGH-MRXNPFEDSA-N 0 3 296.411 2.218 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)NCCN1CCCC(C)(C)C1 ZINC000347430030 395123605 /nfs/dbraw/zinc/12/36/05/395123605.db2.gz MGFKGWAIWXGDOM-QGZVFWFLSA-N 0 3 296.455 2.453 20 30 CEEDHN C=CCOCC(=O)Nc1ccc(C)cc1CN(C)C ZINC000346771172 395105644 /nfs/dbraw/zinc/10/56/44/395105644.db2.gz FMRNRWOXTWVMHT-UHFFFAOYSA-N 0 3 262.353 2.198 20 30 CEEDHN C=C(Cl)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000290507007 395106402 /nfs/dbraw/zinc/10/64/02/395106402.db2.gz NXDUKVOTAKJFOX-LBPRGKRZSA-N 0 3 262.756 2.068 20 30 CEEDHN C=CCNC(=O)CN(Cc1ccccc1)CC(C)C ZINC000346782142 395107475 /nfs/dbraw/zinc/10/74/75/395107475.db2.gz UABKUMQZIYFFAT-UHFFFAOYSA-N 0 3 260.381 2.447 20 30 CEEDHN CC[C@H](C)[C@H](C)N(CC(=O)NC1(C#N)CCC1)C1CC1 ZINC000346861833 395110996 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395381943 /nfs/dbraw/zinc/38/19/43/395381943.db2.gz JYHWAVMDKYSOFD-HNNXBMFYSA-N 0 3 285.395 2.459 20 30 CEEDHN CC1CCC(N2CCN(c3cncc(C#N)n3)CC2)CC1 ZINC000420596507 395382875 /nfs/dbraw/zinc/38/28/75/395382875.db2.gz HGJYRFURJHUUNI-UHFFFAOYSA-N 0 3 285.395 2.049 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2cccnc2-n2cccn2)C1 ZINC000442717985 395392175 /nfs/dbraw/zinc/39/21/75/395392175.db2.gz PMLKZNXRFUBOMK-TZMCWYRMSA-N 0 3 267.336 2.049 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1c(C)onc1CC ZINC000411643100 395333417 /nfs/dbraw/zinc/33/34/17/395333417.db2.gz OKIKXXYFFGBGFK-UHFFFAOYSA-N 0 3 265.401 2.485 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1ccsc1C(=O)OC ZINC000411647318 395334323 /nfs/dbraw/zinc/33/43/23/395334323.db2.gz XKPGQRSRZZPPQS-UHFFFAOYSA-N 0 3 296.436 2.474 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1nnc(C(C)(C)C)[nH]1 ZINC000411638964 395334367 /nfs/dbraw/zinc/33/43/67/395334367.db2.gz CPIQDKWIISQFMP-UHFFFAOYSA-N 0 3 279.432 2.042 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCSC2(CCC2)CC1 ZINC000411864344 395341030 /nfs/dbraw/zinc/34/10/30/395341030.db2.gz DRKGWSFQWAUZGV-GFCCVEGCSA-N 0 3 268.426 2.039 20 30 CEEDHN N#Cc1cccc(C2(C(=O)NCCN3CCCCC3)CC2)c1 ZINC000435047676 395345733 /nfs/dbraw/zinc/34/57/33/395345733.db2.gz CAVDATDRXKAHPG-UHFFFAOYSA-N 0 3 297.402 2.192 20 30 CEEDHN N#Cc1ccc(CNc2ccc3c(c2)OCCNC3)o1 ZINC000530246286 395455727 /nfs/dbraw/zinc/45/57/27/395455727.db2.gz FCIMXVKFBDTENL-UHFFFAOYSA-N 0 3 269.304 2.245 20 30 CEEDHN N#Cc1ccc(CNC[C@H](CO)Cc2ccco2)c(F)c1 ZINC000533446432 395461691 /nfs/dbraw/zinc/46/16/91/395461691.db2.gz ZHBCQPZILAVQPH-CYBMUJFWSA-N 0 3 288.322 2.231 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000573198094 395602491 /nfs/dbraw/zinc/60/24/91/395602491.db2.gz YROJQTRMEHIBDJ-IJOLSIAMSA-N 0 3 294.439 2.249 20 30 CEEDHN CN(C(=O)CN[C@@H]1CCC1(C)C)C1(C#N)CCCCC1 ZINC000568180726 395549961 /nfs/dbraw/zinc/54/99/61/395549961.db2.gz AQMFBMHOXWICPM-CYBMUJFWSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CCCCCCNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000568245251 395553802 /nfs/dbraw/zinc/55/38/02/395553802.db2.gz HDRXRCUTZDGGEW-CHWSQXEVSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCCCCCNC(=O)N1CCN2CCC1CC2 ZINC000568410246 395558839 /nfs/dbraw/zinc/55/88/39/395558839.db2.gz GTGOGZZWPHJLJO-UHFFFAOYSA-N 0 3 265.401 2.222 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000450953080 395581536 /nfs/dbraw/zinc/58/15/36/395581536.db2.gz WWCVTXOXCRTAQM-CYBMUJFWSA-N 0 3 288.351 2.385 20 30 CEEDHN CCN1CCC[C@H](NC(=O)Nc2cc(C)cc(C#N)c2)C1 ZINC000455983112 395632298 /nfs/dbraw/zinc/63/22/98/395632298.db2.gz ILCANCOKUJIGEV-AWEZNQCLSA-N 0 3 286.379 2.473 20 30 CEEDHN Cc1nc([C@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)n[nH]1 ZINC000574778847 395637450 /nfs/dbraw/zinc/63/74/50/395637450.db2.gz ZTNAOAMCCPGJFC-LBPRGKRZSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1n[nH]c([C@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)n1 ZINC000574778847 395637451 /nfs/dbraw/zinc/63/74/51/395637451.db2.gz ZTNAOAMCCPGJFC-LBPRGKRZSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1nnc([C@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)[nH]1 ZINC000574778847 395637452 /nfs/dbraw/zinc/63/74/52/395637452.db2.gz ZTNAOAMCCPGJFC-LBPRGKRZSA-N 0 3 285.326 2.113 20 30 CEEDHN COCCN(Cc1ccc(C#N)c(C)c1)[C@@H]1CCOC1 ZINC000490039808 395668908 /nfs/dbraw/zinc/66/89/08/395668908.db2.gz JYWXPPXSSBYGLL-MRXNPFEDSA-N 0 3 274.364 2.104 20 30 CEEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1ccccc1OCC ZINC000491438343 395669536 /nfs/dbraw/zinc/66/95/36/395669536.db2.gz BSKAKZSOYNINIO-CYBMUJFWSA-N 0 3 274.364 2.367 20 30 CEEDHN C#CCN(C)CCCNc1cc(C(F)(F)F)cnc1C#N ZINC000491802283 395670710 /nfs/dbraw/zinc/67/07/10/395670710.db2.gz GAGSWUSVBLOQGJ-UHFFFAOYSA-N 0 3 296.296 2.339 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)/C=C\c2ccc(C#N)cc2)CCN1C ZINC000493376878 395671410 /nfs/dbraw/zinc/67/14/10/395671410.db2.gz AMJWOCBOFHPPQA-XZVRFQMRSA-N 0 3 297.402 2.370 20 30 CEEDHN CC#CCN1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000649778900 396257081 /nfs/dbraw/zinc/25/70/81/396257081.db2.gz FKVNIMHIKMXFPZ-GXTWGEPZSA-N 0 3 273.380 2.471 20 30 CEEDHN C=CCC[C@@H](O)CN1C[C@H](C)OC2(CCCC2)C1 ZINC000646134307 396301305 /nfs/dbraw/zinc/30/13/05/396301305.db2.gz WYCIEJROCGXVFD-UONOGXRCSA-N 0 3 253.386 2.347 20 30 CEEDHN C=CC[C@H](CO)NCc1cn(C)nc1-c1ccc(C)o1 ZINC000647201722 396438855 /nfs/dbraw/zinc/43/88/55/396438855.db2.gz ZFEQKRYQPAVGOE-CYBMUJFWSA-N 0 3 275.352 2.015 20 30 CEEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000150883422 400281758 /nfs/dbraw/zinc/28/17/58/400281758.db2.gz FWSISLDDRAVMSM-GJZGRUSLSA-N 0 3 282.428 2.348 20 30 CEEDHN CN(CCCNC(=O)c1ccc(C#N)o1)Cc1ccccc1 ZINC000309759053 400341012 /nfs/dbraw/zinc/34/10/12/400341012.db2.gz CUISGYBUYZBAFM-UHFFFAOYSA-N 0 3 297.358 2.403 20 30 CEEDHN C=C(C)[C@H](CC(=O)N[C@H](C)CN1CCCCC1)OCC ZINC000339422324 400363796 /nfs/dbraw/zinc/36/37/96/400363796.db2.gz KDGGDNXMDUWFSZ-CABCVRRESA-N 0 3 282.428 2.348 20 30 CEEDHN N#Cc1ccc(F)c(CN2CC[C@H](CCCO)C2)c1 ZINC000452137297 400581591 /nfs/dbraw/zinc/58/15/91/400581591.db2.gz ZWWRNAPFDBABTI-LBPRGKRZSA-N 0 3 262.328 2.292 20 30 CEEDHN N#Cc1ccccc1OCCN1CC[C@@H](CCCO)C1 ZINC000452121903 400581663 /nfs/dbraw/zinc/58/16/63/400581663.db2.gz HBWSSYYEOAPFMO-CQSZACIVSA-N 0 3 274.364 2.031 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000360228483 155249532 /nfs/dbraw/zinc/24/95/32/155249532.db2.gz SVQIYKZIGBGRLS-VXGBXAGGSA-N 0 3 289.379 2.452 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189171434 153081056 /nfs/dbraw/zinc/08/10/56/153081056.db2.gz BHEVQZXRXCYSJL-UHFFFAOYSA-N 0 3 297.402 2.142 20 30 CEEDHN N#Cc1ccc(CNC[C@@H]2CCC[C@H](O)C2)c(F)c1 ZINC000227597999 153348481 /nfs/dbraw/zinc/34/84/81/153348481.db2.gz PRTNAGNOBNEHEZ-OCCSQVGLSA-N 0 3 262.328 2.338 20 30 CEEDHN COC[C@@H](C)N(C)CCOCc1ccc(C#N)cc1 ZINC000344079202 154270451 /nfs/dbraw/zinc/27/04/51/154270451.db2.gz ZKEAODBUYGKIOX-CYBMUJFWSA-N 0 3 262.353 2.042 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccncc1C#N ZINC000364349112 156065465 /nfs/dbraw/zinc/06/54/65/156065465.db2.gz WKZWMYSGWQXLMS-KSSFIOAISA-N 0 3 292.386 2.308 20 30 CEEDHN N#Cc1ccc(OCCN[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000367601909 156211789 /nfs/dbraw/zinc/21/17/89/156211789.db2.gz QHVCPSISERVGTC-OAHLLOKOSA-N 0 3 282.347 2.327 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)NCCN1CCC[C@H](C)C1 ZINC000161705227 162331216 /nfs/dbraw/zinc/33/12/16/162331216.db2.gz QSVJWQGORURKJI-ZDUSSCGKSA-N 0 3 285.391 2.328 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000178535307 165244239 /nfs/dbraw/zinc/24/42/39/165244239.db2.gz KDWXBPFOTQLCDK-HNNXBMFYSA-N 0 3 296.374 2.345 20 30 CEEDHN CCNC(=O)C[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000284792274 196133698 /nfs/dbraw/zinc/13/36/98/196133698.db2.gz OBKXHVXVIJKVRO-INIZCTEOSA-N 0 3 285.391 2.439 20 30 CEEDHN C[C@@H](NC[C@H]1CCCO1)c1ccc(OCC#N)cc1 ZINC000037215126 173035064 /nfs/dbraw/zinc/03/50/64/173035064.db2.gz FWRBFDARFQFBHD-IUODEOHRSA-N 0 3 260.337 2.419 20 30 CEEDHN C=C(C)Cn1c(CC)nnc1N(C)CCN1CCCCC1 ZINC000652625585 414763234 /nfs/dbraw/zinc/76/32/34/414763234.db2.gz GGDLMKUJWQPYIK-UHFFFAOYSA-N 0 3 291.443 2.339 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)[C@H]2CNCCC2(F)F)C1 ZINC000662857848 414776819 /nfs/dbraw/zinc/77/68/19/414776819.db2.gz RKAAPIJOTSCHJU-NWDGAFQWSA-N 0 3 272.339 2.046 20 30 CEEDHN C=C[C@@H]1CCCCN1CCN1C[C@@H](C)O[C@H](C)C1 ZINC000660429411 414816033 /nfs/dbraw/zinc/81/60/33/414816033.db2.gz LUCMQCZKGOBYFM-RBSFLKMASA-N 0 3 252.402 2.136 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(C)CCN1CCCCC1)OCC ZINC000652990146 414861506 /nfs/dbraw/zinc/86/15/06/414861506.db2.gz HYFLVTQWBRDRPL-HNNXBMFYSA-N 0 3 282.428 2.302 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCCN(C)C1 ZINC000660848722 415003966 /nfs/dbraw/zinc/00/39/66/415003966.db2.gz YLQDFWGWBQNQCW-SOUVJXGZSA-N 0 3 277.412 2.221 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCCN(C)C1 ZINC000660848720 415003999 /nfs/dbraw/zinc/00/39/99/415003999.db2.gz YLQDFWGWBQNQCW-KFWWJZLASA-N 0 3 277.412 2.221 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000660855617 415011482 /nfs/dbraw/zinc/01/14/82/415011482.db2.gz RRESQDNJLAGAKP-UONOGXRCSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCCC(C)(C)NC(=O)NC1CCN(C)CC1 ZINC000663445059 414955061 /nfs/dbraw/zinc/95/50/61/414955061.db2.gz FGDIURLNADEONV-UHFFFAOYSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCN(CC=C)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654724231 415019901 /nfs/dbraw/zinc/01/99/01/415019901.db2.gz AIIKKNRDWHHSPQ-CABCVRRESA-N 0 3 277.412 2.387 20 30 CEEDHN C=CCCn1cc(CN[C@@H](C(C)C)[C@H](CO)C(C)C)nn1 ZINC000653747826 415091122 /nfs/dbraw/zinc/09/11/22/415091122.db2.gz MOOLTOHGEQUXAS-CVEARBPZSA-N 0 3 294.443 2.233 20 30 CEEDHN C=CCC1(NCc2cc(C(N)=O)cs2)CCOCC1 ZINC000657633800 415030770 /nfs/dbraw/zinc/03/07/70/415030770.db2.gz XIMKNGSFELGZHE-UHFFFAOYSA-N 0 3 280.393 2.062 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnnn1C1CC1 ZINC000657922438 415125110 /nfs/dbraw/zinc/12/51/10/415125110.db2.gz ONKDXLRZHGVAFS-YPMHNXCESA-N 0 3 261.373 2.233 20 30 CEEDHN N#Cc1cc2c(nc1NCCN1CCCCC1)CCC2 ZINC000044419870 175173604 /nfs/dbraw/zinc/17/36/04/175173604.db2.gz ZYUPHKIZCFXBPG-UHFFFAOYSA-N 0 3 270.380 2.340 20 30 CEEDHN C=CC1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000661396128 415238987 /nfs/dbraw/zinc/23/89/87/415238987.db2.gz AYDKCBCTPVPXAA-CQSZACIVSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000661420120 415253367 /nfs/dbraw/zinc/25/33/67/415253367.db2.gz SEZDSDKXVGQEQX-WCVJEAGWSA-N 0 3 291.439 2.467 20 30 CEEDHN C=CCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000661569936 415332000 /nfs/dbraw/zinc/33/20/00/415332000.db2.gz GBZSRMGXPGTKQV-UHFFFAOYSA-N 0 3 297.468 2.223 20 30 CEEDHN C=CCCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000661571005 415333192 /nfs/dbraw/zinc/33/31/92/415333192.db2.gz OYTPALCJBOGOOU-UHFFFAOYSA-N 0 3 279.428 2.468 20 30 CEEDHN O[C@@]1(C2CC2)CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000661624082 415364768 /nfs/dbraw/zinc/36/47/68/415364768.db2.gz CDZMEQZSSFHAAO-KRWDZBQOSA-N 0 3 273.351 2.414 20 30 CEEDHN C=CCC1(NCc2nnnn2C(C)(C)C)CCCC1 ZINC000661852368 415497146 /nfs/dbraw/zinc/49/71/46/415497146.db2.gz SPFNAQICEIHOPA-UHFFFAOYSA-N 0 3 263.389 2.407 20 30 CEEDHN C=CCC1([NH2+]Cc2nc3c(cnn3C)c(=O)[n-]2)CCCC1 ZINC000661852202 415497585 /nfs/dbraw/zinc/49/75/85/415497585.db2.gz NUCGNAXAMYZZOJ-UHFFFAOYSA-N 0 3 287.367 2.047 20 30 CEEDHN C=CCC1(NCc2nc3c(cnn3C)c(=O)[nH]2)CCCC1 ZINC000661852202 415497594 /nfs/dbraw/zinc/49/75/94/415497594.db2.gz NUCGNAXAMYZZOJ-UHFFFAOYSA-N 0 3 287.367 2.047 20 30 CEEDHN C=CC[C@H](CO)NCc1cn(-c2ccccc2F)nc1C ZINC000655760833 415439985 /nfs/dbraw/zinc/43/99/85/415439985.db2.gz YXFYJOYBCWTBHW-CQSZACIVSA-N 0 3 289.354 2.346 20 30 CEEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)N[C@@H](C)CN(C)C ZINC000664894938 415514833 /nfs/dbraw/zinc/51/48/33/415514833.db2.gz BVIUEHYNGWUNOU-MELADBBJSA-N 0 3 267.417 2.371 20 30 CEEDHN C=C(C)[C@@H](CO)N1CC[C@@H](N(C)c2ccccc2)C1 ZINC000662019372 415575688 /nfs/dbraw/zinc/57/56/88/415575688.db2.gz GRCAIDASDHOTHS-HZPDHXFCSA-N 0 3 260.381 2.134 20 30 CEEDHN C=CCN(CC=C)C(=O)NCCN1CCC(C)CC1 ZINC000071933005 176302788 /nfs/dbraw/zinc/30/27/88/176302788.db2.gz XJWBIAHNLVFXOT-UHFFFAOYSA-N 0 3 265.401 2.102 20 30 CEEDHN C=CCCCN(C)Cc1cc(=O)n2c(C)csc2n1 ZINC000076734191 177075380 /nfs/dbraw/zinc/07/53/80/177075380.db2.gz BJLOPGINXCUCOB-UHFFFAOYSA-N 0 3 277.393 2.462 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2CC=CCC2)CC1 ZINC000077594217 177283462 /nfs/dbraw/zinc/28/34/62/177283462.db2.gz YVRJCSPGVAVNKL-ZDUSSCGKSA-N 0 3 263.385 2.045 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2C)CC1 ZINC000078545582 177352221 /nfs/dbraw/zinc/35/22/21/177352221.db2.gz RPCQXPPADMPUKX-ZDUSSCGKSA-N 0 3 265.401 2.221 20 30 CEEDHN Cc1cccc(C)c1OC[C@H](C)NC(=O)C(C)C#N ZINC000347070545 226013645 /nfs/dbraw/zinc/01/36/45/226013645.db2.gz OEXISCJEBHEIPV-OLZOCXBDSA-N 0 3 260.337 2.347 20 30 CEEDHN C[C@@H](C#N)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000347116732 226032582 /nfs/dbraw/zinc/03/25/82/226032582.db2.gz SIYJPZVBWNYVIN-ZDUSSCGKSA-N 0 3 295.452 2.014 20 30 CEEDHN C[C@@H](C#N)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000347088037 226044754 /nfs/dbraw/zinc/04/47/54/226044754.db2.gz PKTRPFXZFGXIFG-KBPBESRZSA-N 0 3 285.391 2.488 20 30 CEEDHN CC(C#N)C(=O)NCCCc1c[nH]c2ccccc12 ZINC000347108642 226053187 /nfs/dbraw/zinc/05/31/87/226053187.db2.gz OMUQCXPBEBPZBZ-NSHDSACASA-N 0 3 255.321 2.376 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2ccco2)cc1 ZINC000348009375 226395648 /nfs/dbraw/zinc/39/56/48/226395648.db2.gz ZBTOFMACCJLSDO-OAHLLOKOSA-N 0 3 293.326 2.192 20 30 CEEDHN C[S@](=O)Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000353814408 228155833 /nfs/dbraw/zinc/15/58/33/228155833.db2.gz IMHNPXMHSSPDHA-DOXZYTNZSA-N 0 3 276.405 2.347 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@H]1CCN(CCC)C1 ZINC000666929032 419476624 /nfs/dbraw/zinc/47/66/24/419476624.db2.gz ZDJPIGGPEFFRCS-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCCCCNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000667804184 419811938 /nfs/dbraw/zinc/81/19/38/419811938.db2.gz WUXBYMQNOUYYRL-UHFFFAOYSA-N 0 3 274.368 2.205 20 30 CEEDHN C=CCC(C)(C)CNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000667802026 419812871 /nfs/dbraw/zinc/81/28/71/419812871.db2.gz GQMAVKUMKLATPK-UHFFFAOYSA-N 0 3 288.395 2.451 20 30 CEEDHN COC[C@@H](NC(=O)C(C)C#N)c1cccc(Cl)c1 ZINC000356607319 260044015 /nfs/dbraw/zinc/04/40/15/260044015.db2.gz XKETWPJKBSVJEM-JOYOIKCWSA-N 0 3 266.728 2.303 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CC23CCCCC3)CC1 ZINC000180713253 260109673 /nfs/dbraw/zinc/10/96/73/260109673.db2.gz UMAOEPIHPAGTGP-OAHLLOKOSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(Cc1ccccc1)C1CC1 ZINC000297604227 260129779 /nfs/dbraw/zinc/12/97/79/260129779.db2.gz WDCNIWWBMXKQNO-UHFFFAOYSA-N 0 3 299.418 2.316 20 30 CEEDHN C#CCCN(C)C[C@@H](O)c1cccc(Br)c1 ZINC000298076351 260142141 /nfs/dbraw/zinc/14/21/41/260142141.db2.gz HHAACUKDQOMNGZ-CYBMUJFWSA-N 0 3 282.181 2.438 20 30 CEEDHN Cc1noc([C@@H]2CCCN([C@@H]3CC[C@H](C#N)C3)C2)n1 ZINC000407991175 260154467 /nfs/dbraw/zinc/15/44/67/260154467.db2.gz STEPVXFGIDXKRL-YNEHKIRRSA-N 0 3 260.341 2.250 20 30 CEEDHN C#CCN(C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000298554707 260156648 /nfs/dbraw/zinc/15/66/48/260156648.db2.gz OONZABRQKUXGPN-MRXNPFEDSA-N 0 3 270.376 2.135 20 30 CEEDHN CC[C@@H](CO)NCc1ccc(OC)c(OCCCC#N)c1 ZINC000064613368 260241861 /nfs/dbraw/zinc/24/18/61/260241861.db2.gz KTCPZJMYACSLAU-AWEZNQCLSA-N 0 3 292.379 2.238 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)C1(C#N)CCCCC1 ZINC000044386932 260645984 /nfs/dbraw/zinc/64/59/84/260645984.db2.gz FDPUAJJGTOYNTR-CQSZACIVSA-N 0 3 277.412 2.451 20 30 CEEDHN C=CCC[C@@H](O)CN[C@H](CO)c1ccc(CC)cc1 ZINC000359630951 260910058 /nfs/dbraw/zinc/91/00/58/260910058.db2.gz YPXVFEGHOVRICZ-HZPDHXFCSA-N 0 3 263.381 2.199 20 30 CEEDHN CC(C)N(C)CC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000153332912 261077202 /nfs/dbraw/zinc/07/72/02/261077202.db2.gz HUCQQUDRCKBMKE-OAHLLOKOSA-N 0 3 273.380 2.488 20 30 CEEDHN CCN(CC)[C@@H](CNC(=O)CC#N)c1ccsc1 ZINC000153576755 261080497 /nfs/dbraw/zinc/08/04/97/261080497.db2.gz SAMDIEQJESRTIQ-LBPRGKRZSA-N 0 3 265.382 2.161 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000448783619 261089813 /nfs/dbraw/zinc/08/98/13/261089813.db2.gz UOQIDWCIWGLOLX-CHWSQXEVSA-N 0 3 252.402 2.435 20 30 CEEDHN Cc1csc(C(C#N)C(=O)OCC(F)(F)F)n1 ZINC000155397105 261101598 /nfs/dbraw/zinc/10/15/98/261101598.db2.gz DIYGOXZZIQHLTK-LURJTMIESA-N 0 3 264.228 2.164 20 30 CEEDHN C=CCN1CCC(NC(=O)CC[C@H]2CC[C@H](C)O2)CC1 ZINC000173160703 261157290 /nfs/dbraw/zinc/15/72/90/261157290.db2.gz KKORKFAAMSBDBN-DZGCQCFKSA-N 0 3 280.412 2.101 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc2ncsc2c1 ZINC000491046651 261310221 /nfs/dbraw/zinc/31/02/21/261310221.db2.gz QXRJMRPSRCNXMF-QWRGUYRKSA-N 0 3 287.388 2.085 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](c1ccc(F)cc1)C(C)C ZINC000491048893 261311250 /nfs/dbraw/zinc/31/12/50/261311250.db2.gz ZZJZOUNPYOOFED-WFASDCNBSA-N 0 3 276.355 2.250 20 30 CEEDHN Cn1cc(CNCc2ccc(OCC#N)cc2)cc1C#N ZINC000190965761 262187622 /nfs/dbraw/zinc/18/76/22/262187622.db2.gz UOCNGYYIRYQGTG-UHFFFAOYSA-N 0 3 280.331 2.089 20 30 CEEDHN C[S@](=O)CCCNCc1cccc(OCCCC#N)c1 ZINC000116918474 262194732 /nfs/dbraw/zinc/19/47/32/262194732.db2.gz YCDOCKQAISPAJO-HXUWFJFHSA-N 0 3 294.420 2.227 20 30 CEEDHN CC(C)(C#N)CCCN1CCSC[C@H]1CCO ZINC000336707374 262382131 /nfs/dbraw/zinc/38/21/31/262382131.db2.gz ORULRHGSHHPABP-GFCCVEGCSA-N 0 3 256.415 2.116 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@H]2CC[C@@H](SCC)C2)C1=O ZINC000337190400 262430751 /nfs/dbraw/zinc/43/07/51/262430751.db2.gz RULHRJDCILUDHI-MJBXVCDLSA-N 0 3 282.453 2.379 20 30 CEEDHN C=CCOc1ccccc1CNC[C@]1(OC)CCOC1 ZINC000122874021 262481958 /nfs/dbraw/zinc/48/19/58/262481958.db2.gz PLTLDIYSDCSHRR-MRXNPFEDSA-N 0 3 277.364 2.147 20 30 CEEDHN C=C(C)CN(C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000182432300 262574688 /nfs/dbraw/zinc/57/46/88/262574688.db2.gz JFTKBMXPTVBRBR-INIZCTEOSA-N 0 3 289.423 2.377 20 30 CEEDHN N#CCCOCCN1CCC[C@H](Oc2ccccc2)C1 ZINC000338997521 262578753 /nfs/dbraw/zinc/57/87/53/262578753.db2.gz NTRIACCYQZAKFF-INIZCTEOSA-N 0 3 274.364 2.460 20 30 CEEDHN CCON=C(N)c1cccc(CN2CCCCC2)c1 ZINC000263660185 262851118 /nfs/dbraw/zinc/85/11/18/262851118.db2.gz DMXQUMUQDKMCJJ-UHFFFAOYSA-N 0 3 261.369 2.329 20 30 CEEDHN Cc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)c([O-])c1 ZINC000271283720 262995652 /nfs/dbraw/zinc/99/56/52/262995652.db2.gz QRROEYHEGHYZPH-UHFFFAOYSA-N 0 3 289.379 2.008 20 30 CEEDHN Cc1ccccc1[C@@H](CN1CCOCC1)NCCCC#N ZINC000273300172 263014954 /nfs/dbraw/zinc/01/49/54/263014954.db2.gz URLIMCWBMJCFII-QGZVFWFLSA-N 0 3 287.407 2.262 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](CC(C)(C)C)C1 ZINC000452075595 263034348 /nfs/dbraw/zinc/03/43/48/263034348.db2.gz IFQFHVUVCJIFAN-QWHCGFSZSA-N 0 3 252.402 2.435 20 30 CEEDHN CC(=O)Nc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cn1 ZINC000279000733 263052486 /nfs/dbraw/zinc/05/24/86/263052486.db2.gz FUVQXXZVJODUIS-JSGCOSHPSA-N 0 3 272.352 2.212 20 30 CEEDHN CCOCCN(CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280615657 263063358 /nfs/dbraw/zinc/06/33/58/263063358.db2.gz XXUKGDUYJYTBJR-INIZCTEOSA-N 0 3 299.374 2.126 20 30 CEEDHN CCN(CCCC1(C#N)CCOCC1)Cc1cnn(C)c1 ZINC000282005341 263073619 /nfs/dbraw/zinc/07/36/19/263073619.db2.gz NWCWSJVNHMOYNE-UHFFFAOYSA-N 0 3 290.411 2.343 20 30 CEEDHN CN(Cc1ccccc1C(C)(C)C#N)C1(CO)CC1 ZINC000285381842 263092415 /nfs/dbraw/zinc/09/24/15/263092415.db2.gz CUPSPUMEXKZSCN-UHFFFAOYSA-N 0 3 258.365 2.444 20 30 CEEDHN C[C@@H](NCc1ccc(OCC#N)cc1)C(C)(C)n1cncn1 ZINC000285462889 263093186 /nfs/dbraw/zinc/09/31/86/263093186.db2.gz ZZXRGUUMBHNBLP-CYBMUJFWSA-N 0 3 299.378 2.094 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NCc1cccc(CN(C)C)c1 ZINC000285545450 263094034 /nfs/dbraw/zinc/09/40/34/263094034.db2.gz SBMAESFWFICJFQ-MRXNPFEDSA-N 0 3 273.380 2.304 20 30 CEEDHN C#C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)(C)C ZINC000288376449 263104027 /nfs/dbraw/zinc/10/40/27/263104027.db2.gz VIEPZZZSPJFXLI-CVEARBPZSA-N 0 3 293.370 2.405 20 30 CEEDHN N#CCCCN1CCCN2c3ccccc3C[C@H]2C1 ZINC000289389099 263109736 /nfs/dbraw/zinc/10/97/36/263109736.db2.gz DHZKXIASLKLTIM-HNNXBMFYSA-N 0 3 255.365 2.427 20 30 CEEDHN CC(C)[C@](C)(NCc1ccccc1C(C)(C)C#N)C(N)=O ZINC000289420959 263110096 /nfs/dbraw/zinc/11/00/96/263110096.db2.gz URSAZHRWCVISPD-KRWDZBQOSA-N 0 3 287.407 2.477 20 30 CEEDHN C#Cc1ccc(CN2CCN(C3CCC3)CC2)cc1 ZINC000290095993 263114679 /nfs/dbraw/zinc/11/46/79/263114679.db2.gz RQUIWLHQRNUGRC-UHFFFAOYSA-N 0 3 254.377 2.338 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H]1C[C@@H](C)c2ccccc21 ZINC000290346090 263116242 /nfs/dbraw/zinc/11/62/42/263116242.db2.gz PUGVZWUNGCQLLP-DOMZBBRYSA-N 0 3 279.405 2.425 20 30 CEEDHN CN(CCCNC(=O)CCCC#N)Cc1ccccc1 ZINC000290871360 263118868 /nfs/dbraw/zinc/11/88/68/263118868.db2.gz AYHSKNZDZIGWOX-UHFFFAOYSA-N 0 3 273.380 2.319 20 30 CEEDHN C[C@H](CNC(=O)CCCC#N)N(C)Cc1ccccc1 ZINC000291713688 263125042 /nfs/dbraw/zinc/12/50/42/263125042.db2.gz OZMJJUDYNRNNPJ-CQSZACIVSA-N 0 3 273.380 2.317 20 30 CEEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)CCCC#N ZINC000292023211 263127435 /nfs/dbraw/zinc/12/74/35/263127435.db2.gz ZLVQTDRMBDSJFT-UHFFFAOYSA-N 0 3 291.370 2.410 20 30 CEEDHN N#CCCOCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000293057230 263137663 /nfs/dbraw/zinc/13/76/63/263137663.db2.gz KXSAWGBVWFPRNV-UHFFFAOYSA-N 0 3 299.374 2.332 20 30 CEEDHN COc1ccc(OC)c([C@@H](C)NCCOCCC#N)c1 ZINC000293888860 263151743 /nfs/dbraw/zinc/15/17/43/263151743.db2.gz UVWVDWWMALGZLD-GFCCVEGCSA-N 0 3 278.352 2.285 20 30 CEEDHN C=C[C@@H](CO)N[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000353568722 263171849 /nfs/dbraw/zinc/17/18/49/263171849.db2.gz BIGBQTCAZUMKHV-PWSUYJOCSA-N 0 3 274.364 2.114 20 30 CEEDHN C=CCOc1cccc(CN[C@H]2CNCCC2(F)F)c1 ZINC000414995607 263191989 /nfs/dbraw/zinc/19/19/89/263191989.db2.gz FUEGKLCOMLQUBM-AWEZNQCLSA-N 0 3 282.334 2.338 20 30 CEEDHN C=CCOc1cccc(NC(=O)N2C[C@@H](C)NC[C@@H]2C)c1 ZINC000415018298 263255562 /nfs/dbraw/zinc/25/55/62/263255562.db2.gz UIDJFZGCXXNNON-OLZOCXBDSA-N 0 3 289.379 2.466 20 30 CEEDHN COc1ccc([C@@H](C)NCCC(=O)N(C)CCC#N)cc1 ZINC000341230154 263328221 /nfs/dbraw/zinc/32/82/21/263328221.db2.gz RDYDXFKOSRHUJG-CYBMUJFWSA-N 0 3 289.379 2.108 20 30 CEEDHN CC(C)(C)C[C@H](NCC(=O)NCC#N)c1ccccc1 ZINC000341587914 263343924 /nfs/dbraw/zinc/34/39/24/263343924.db2.gz DTLPQLKUPHIDAB-AWEZNQCLSA-N 0 3 273.380 2.393 20 30 CEEDHN COCC1(C#N)CCN(C[C@H](O)CC2CCCC2)CC1 ZINC000341989383 263380861 /nfs/dbraw/zinc/38/08/61/263380861.db2.gz JXAFOFZTSPWNAN-OAHLLOKOSA-N 0 3 280.412 2.180 20 30 CEEDHN C=CCCN(C)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000342184860 263395254 /nfs/dbraw/zinc/39/52/54/263395254.db2.gz GLMNCQIJMZWLCY-KGLIPLIRSA-N 0 3 267.417 2.324 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2(OCC)CCCC2)CC1 ZINC000342469005 263437931 /nfs/dbraw/zinc/43/79/31/263437931.db2.gz DVDVWBRRNVGNAM-UHFFFAOYSA-N 0 3 294.439 2.492 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000334303818 263571596 /nfs/dbraw/zinc/57/15/96/263571596.db2.gz BVOPHSVKKKGLHD-QWHCGFSZSA-N 0 3 285.347 2.023 20 30 CEEDHN CC#CCCNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416200916 263682179 /nfs/dbraw/zinc/68/21/79/263682179.db2.gz QIJAPPFODBJUKD-OAHLLOKOSA-N 0 3 258.365 2.209 20 30 CEEDHN C[C@@H](CN(C)C)NC(=O)c1snnc1C(C)(C)C ZINC000330691731 264004280 /nfs/dbraw/zinc/00/42/80/264004280.db2.gz ZJIKHJGZLQJNFX-QMMMGPOBSA-N 0 3 270.402 2.090 20 30 CEEDHN CC(C)NC(=O)NC(=O)[C@H](C)N(C)C[C@@H]1CC=CCC1 ZINC000330854011 264068781 /nfs/dbraw/zinc/06/87/81/264068781.db2.gz RRLWUWITAPYULP-QWHCGFSZSA-N 0 3 281.400 2.102 20 30 CEEDHN CC[C@@H](C)n1ncc(NC(=O)N2CC[C@H](N(C)C)C2)c1C ZINC000331137578 264135553 /nfs/dbraw/zinc/13/55/53/264135553.db2.gz QEVJZPZMFROKAS-YPMHNXCESA-N 0 3 293.415 2.344 20 30 CEEDHN Cc1ccc(C(=O)NC[C@H]2CCCCN2CCO)c(C)c1 ZINC000331295571 264197729 /nfs/dbraw/zinc/19/77/29/264197729.db2.gz CNODFQFRJXULOD-OAHLLOKOSA-N 0 3 290.407 2.455 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425447740 264325878 /nfs/dbraw/zinc/32/58/78/264325878.db2.gz SJYXEMDPSBSTML-ZQDZILKHSA-N 0 3 292.427 2.241 20 30 CEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C#Cc1ccccc1 ZINC000288331431 264660753 /nfs/dbraw/zinc/66/07/53/264660753.db2.gz JMKCEEIJTQOLGC-NVXWUHKLSA-N 0 3 282.387 2.123 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C/c1ccc2[nH]ccc2c1 ZINC000294070973 265005041 /nfs/dbraw/zinc/00/50/41/265005041.db2.gz VWTUBXDDFSCZBC-SOFGYWHQSA-N 0 3 295.386 2.252 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1c(C)[nH]c2ccccc21 ZINC000294068221 265005887 /nfs/dbraw/zinc/00/58/87/265005887.db2.gz VOJHBXNORQFOAC-UHFFFAOYSA-N 0 3 297.402 2.090 20 30 CEEDHN C#CCCOc1ccc(CN2CCC[C@H](O)CC2)cc1 ZINC000294084063 265007058 /nfs/dbraw/zinc/00/70/58/265007058.db2.gz RDEDVTYNOJRUMI-INIZCTEOSA-N 0 3 273.376 2.436 20 30 CEEDHN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C(C)C#N)c1 ZINC000345754055 265096851 /nfs/dbraw/zinc/09/68/51/265096851.db2.gz RHCSNBJITHRAFY-NEPJUHHUSA-N 0 3 287.363 2.447 20 30 CEEDHN CC(C)N(C)C(=O)C1CCN([C@@H](C)CCC#N)CC1 ZINC000519161885 265348732 /nfs/dbraw/zinc/34/87/32/265348732.db2.gz RDIWGLDJWTVDOL-ZDUSSCGKSA-N 0 3 265.401 2.257 20 30 CEEDHN CCC(CC)N(CC(=O)NC1(C#N)CCC1)C1CC1 ZINC000525893869 266003125 /nfs/dbraw/zinc/00/31/25/266003125.db2.gz MAUKPHZXXJOFPE-UHFFFAOYSA-N 0 3 263.385 2.202 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000356266272 266083669 /nfs/dbraw/zinc/08/36/69/266083669.db2.gz VUJTWROBLHGMMF-CQSZACIVSA-N 0 3 277.364 2.278 20 30 CEEDHN C[C@H](C(=O)N1CCC(C)(C#N)CC1)N1[C@H](C)CC[C@@H]1C ZINC000356970301 266221036 /nfs/dbraw/zinc/22/10/36/266221036.db2.gz IDXFJSXCGJGYFW-HZSPNIEDSA-N 0 3 277.412 2.400 20 30 CEEDHN C#CCN[C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000367252137 266240827 /nfs/dbraw/zinc/24/08/27/266240827.db2.gz LHOGPFLFCZKCNW-SJORKVTESA-N 0 3 270.376 2.196 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1[C@H](C)CC[C@@H]1CC ZINC000357556309 266323453 /nfs/dbraw/zinc/32/34/53/266323453.db2.gz VRDRUPLYOUZSDO-KGLIPLIRSA-N 0 3 250.386 2.450 20 30 CEEDHN C=CCN(C(=O)NC[C@H]1CCCCN1CC)C1CC1 ZINC000357588866 266332834 /nfs/dbraw/zinc/33/28/34/266332834.db2.gz NYFJDYKOHPBHKB-CQSZACIVSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CC[C@H](C)NC(=O)NCC1(SC)CCN(C)CC1 ZINC000357790386 266363277 /nfs/dbraw/zinc/36/32/77/266363277.db2.gz FATREICCUIIZIO-LBPRGKRZSA-N 0 3 285.457 2.078 20 30 CEEDHN Cc1nc(C2(NC(=O)C(C)C#N)CCCCCC2)no1 ZINC000357793958 266364730 /nfs/dbraw/zinc/36/47/30/266364730.db2.gz NHNSKWOATFIVQT-SNVBAGLBSA-N 0 3 276.340 2.203 20 30 CEEDHN CC(C#N)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000357816145 266370768 /nfs/dbraw/zinc/37/07/68/266370768.db2.gz AHZGXXMPVWTFCQ-LBPRGKRZSA-N 0 3 289.354 2.066 20 30 CEEDHN C=CCN(CCC#N)C(=O)c1cccc(CN(C)C)c1 ZINC000359437722 266585500 /nfs/dbraw/zinc/58/55/00/266585500.db2.gz JOSHZOWZEHVYGC-UHFFFAOYSA-N 0 3 271.364 2.290 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCCC[C@H]1OC ZINC000361755477 266880130 /nfs/dbraw/zinc/88/01/30/266880130.db2.gz QYZUMFDBPDFQIR-SOUVJXGZSA-N 0 3 282.428 2.347 20 30 CEEDHN N#CCNC(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000362583657 267010394 /nfs/dbraw/zinc/01/03/94/267010394.db2.gz MFRLELCCOXLHKJ-GVDBMIGSSA-N 0 3 297.402 2.284 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(CCO)CC1CCCCC1 ZINC000362585067 267011277 /nfs/dbraw/zinc/01/12/77/267011277.db2.gz BJZSMPMDHJVJCT-UHFFFAOYSA-N 0 3 296.455 2.286 20 30 CEEDHN CCC[C@@H](C(=O)NCc1ccc(C#N)c(F)c1)N(C)C ZINC000456833770 267030821 /nfs/dbraw/zinc/03/08/21/267030821.db2.gz ILJWTRHBUOZHNG-AWEZNQCLSA-N 0 3 277.343 2.044 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)CCc1ccc(C#N)cc1 ZINC000115437726 267097396 /nfs/dbraw/zinc/09/73/96/267097396.db2.gz JCGNCMIWSFEFLI-KRWDZBQOSA-N 0 3 299.418 2.291 20 30 CEEDHN CCOC(=O)C1(CNCc2ccc(C#N)c(C)c2)CC1 ZINC000446796762 267113345 /nfs/dbraw/zinc/11/33/45/267113345.db2.gz SSIYRGCRHCLCOP-UHFFFAOYSA-N 0 3 272.348 2.300 20 30 CEEDHN CCOC(=O)C[C@@H](C)N(C)Cc1ccc(C#N)c(OC)c1 ZINC000442856067 267118301 /nfs/dbraw/zinc/11/83/01/267118301.db2.gz QYCOEHMFHUXILO-GFCCVEGCSA-N 0 3 290.363 2.340 20 30 CEEDHN CCN(CC#N)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000368455473 267173779 /nfs/dbraw/zinc/17/37/79/267173779.db2.gz QEISGNLRTSKAGO-CQSZACIVSA-N 0 3 263.385 2.156 20 30 CEEDHN CC[C@@H](NC[C@@H](O)C(F)F)c1ccc(C#N)cc1 ZINC000436306144 267194452 /nfs/dbraw/zinc/19/44/52/267194452.db2.gz JJHQVHNDQCQBNK-VXGBXAGGSA-N 0 3 254.280 2.225 20 30 CEEDHN CC[C@@H](N[C@H](C)CCS(C)(=O)=O)c1ccc(C#N)cc1 ZINC000447572961 267197362 /nfs/dbraw/zinc/19/73/62/267197362.db2.gz FIFASAUNZYUYNP-IUODEOHRSA-N 0 3 294.420 2.422 20 30 CEEDHN C=CC[C@@H](C)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000117025830 267198993 /nfs/dbraw/zinc/19/89/93/267198993.db2.gz UMOZENBOOYOXQG-GDBMZVCRSA-N 0 3 289.423 2.423 20 30 CEEDHN C=CCC[C@H](CCC)NCc1nnc2n1CCOC2 ZINC000368990895 267216833 /nfs/dbraw/zinc/21/68/33/267216833.db2.gz PPTITANHARVIFN-LBPRGKRZSA-N 0 3 264.373 2.033 20 30 CEEDHN CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)F ZINC000452268662 267219016 /nfs/dbraw/zinc/21/90/16/267219016.db2.gz YJSBDGXKSCJXHT-STQMWFEESA-N 0 3 291.301 2.400 20 30 CEEDHN CC#CCCN1C[C@@H](CC)O[C@@]2(CCCOC2)C1 ZINC000369803472 267267569 /nfs/dbraw/zinc/26/75/69/267267569.db2.gz BBXYWSNNEHPQDC-CABCVRRESA-N 0 3 251.370 2.060 20 30 CEEDHN C#CC[C@H](C)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000369863242 267272208 /nfs/dbraw/zinc/27/22/08/267272208.db2.gz VSUSXUANEAQUDN-RRQGHBQHSA-N 0 3 299.418 2.315 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)Nc1ccc(F)cc1C#N ZINC000454921353 267279351 /nfs/dbraw/zinc/27/93/51/267279351.db2.gz IPOXYVPPFKGXAB-UHFFFAOYSA-N 0 3 278.331 2.159 20 30 CEEDHN Cc1cc(NCCN(C)Cc2ccccc2)c(C#N)cn1 ZINC000399493317 267299617 /nfs/dbraw/zinc/29/96/17/267299617.db2.gz HKQFBSXEABVSCK-UHFFFAOYSA-N 0 3 280.375 2.228 20 30 CEEDHN C#CCCN1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000371183535 267360538 /nfs/dbraw/zinc/36/05/38/267360538.db2.gz JJJSBQIULXOWQS-UHFFFAOYSA-N 0 3 289.375 2.136 20 30 CEEDHN N#CC1(CNC2CCN(Cc3ccncc3)CC2)CCC1 ZINC000418143047 267365288 /nfs/dbraw/zinc/36/52/88/267365288.db2.gz OJMFTTMQERFFQG-UHFFFAOYSA-N 0 3 284.407 2.329 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCCC12CCN(C)CC2 ZINC000371362305 267395367 /nfs/dbraw/zinc/39/53/67/267395367.db2.gz ZXNQUTWLUOUQAF-CQSZACIVSA-N 0 3 280.412 2.054 20 30 CEEDHN C=C(C)CN(C)C[C@H](O)COc1ccc(F)cc1 ZINC000305823874 268006116 /nfs/dbraw/zinc/00/61/16/268006116.db2.gz RVYKORNAWAZPDF-ZDUSSCGKSA-N 0 3 253.317 2.073 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@@H]([C@@H](C)O)C1 ZINC000305871751 268011229 /nfs/dbraw/zinc/01/12/29/268011229.db2.gz OVBITABWPVGQKW-ZIAGYGMSSA-N 0 3 261.365 2.454 20 30 CEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C#N)o1 ZINC000429813490 271346388 /nfs/dbraw/zinc/34/63/88/271346388.db2.gz WLHYJTQEVPGTAP-FRRDWIJNSA-N 0 3 289.379 2.247 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)[C@H]2CCCc3n[nH]cc32)CCN1C ZINC000329817269 274397933 /nfs/dbraw/zinc/39/79/33/274397933.db2.gz WOWHAPCXTKGPCX-UTUOFQBUSA-N 0 3 276.384 2.269 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)C1CCN(C2CC2)CC1 ZINC000335761185 275436113 /nfs/dbraw/zinc/43/61/13/275436113.db2.gz VTTJXOCHAQPYEL-CQSZACIVSA-N 0 3 262.397 2.428 20 30 CEEDHN CCCN(CCC)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000411170530 275996954 /nfs/dbraw/zinc/99/69/54/275996954.db2.gz XONHHTBJVIBYMJ-CQSZACIVSA-N 0 3 259.353 2.207 20 30 CEEDHN CC1(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CCCC1 ZINC000115599872 276168237 /nfs/dbraw/zinc/16/82/37/276168237.db2.gz RXKRARVYTPQDIU-CQSZACIVSA-N 0 3 271.364 2.255 20 30 CEEDHN C#CCCN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000276942953 276777023 /nfs/dbraw/zinc/77/70/23/276777023.db2.gz NQYHNXRDHAFZLR-HIFRSBDPSA-N 0 3 276.767 2.225 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000348437767 276903441 /nfs/dbraw/zinc/90/34/41/276903441.db2.gz FPGQTWUMDKLHTH-RRFJBIMHSA-N 0 3 294.439 2.395 20 30 CEEDHN CN1CC[C@H]2CCN(c3cccc(F)c3C#N)C[C@@H]21 ZINC000375043493 277178391 /nfs/dbraw/zinc/17/83/91/277178391.db2.gz VSILERGARSQLIG-NHYWBVRUSA-N 0 3 259.328 2.228 20 30 CEEDHN CC(C)C(=O)NC[C@H]1CCCN([C@@H](C)CCC#N)C1 ZINC000351231656 277333981 /nfs/dbraw/zinc/33/39/81/277333981.db2.gz WAEIKDZFVJQAHG-UONOGXRCSA-N 0 3 265.401 2.163 20 30 CEEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(C#N)o1 ZINC000309820695 278241728 /nfs/dbraw/zinc/24/17/28/278241728.db2.gz ZJUIIMPLBXWBCJ-ZDUSSCGKSA-N 0 3 297.358 2.402 20 30 CEEDHN C[C@H]1CCCC[C@@H]1N(C)CC(=O)NC1(C#N)CCC1 ZINC000347226174 278335293 /nfs/dbraw/zinc/33/52/93/278335293.db2.gz MGHWBZRFHFUGPO-STQMWFEESA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1c1ncc(C#N)cc1F ZINC000413298303 279116655 /nfs/dbraw/zinc/11/66/55/279116655.db2.gz SILLSEDHENMRNF-BXUZGUMPSA-N 0 3 274.343 2.155 20 30 CEEDHN C[C@H](N[C@@H]1CCc2nccn2C1)c1ccc(C#N)s1 ZINC000375843473 279521458 /nfs/dbraw/zinc/52/14/58/279521458.db2.gz SHOOKWNEPPTWJK-WDEREUQCSA-N 0 3 272.377 2.482 20 30 CEEDHN N#Cc1ccc(CNCC2(CCO)CCC2)s1 ZINC000136536628 280061915 /nfs/dbraw/zinc/06/19/15/280061915.db2.gz PETUTMRUOKSKKE-UHFFFAOYSA-N 0 3 250.367 2.262 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]([C@@H](C)O)C1 ZINC000305751921 289273481 /nfs/dbraw/zinc/27/34/81/289273481.db2.gz ZZFNBAKXZJCTNW-TZMCWYRMSA-N 0 3 274.364 2.160 20 30 CEEDHN O=C(N[C@@H]1CCc2c[nH]nc2C1)[C@@H](C1CC1)N1CCCC1 ZINC000329560759 295383803 /nfs/dbraw/zinc/38/38/03/295383803.db2.gz IYZOVCAVVJBEEP-UKRRQHHQSA-N 0 3 288.395 2.098 20 30 CEEDHN Cc1nc(CCNCc2cnc3ccc(C#N)cn23)c(C)o1 ZINC000539520719 298249272 /nfs/dbraw/zinc/24/92/72/298249272.db2.gz SLXGRLNZPQIUCC-UHFFFAOYSA-N 0 3 295.346 2.143 20 30 CEEDHN C=C(Br)CNC[C@@H](O)CC1CCCC1 ZINC000232134607 639901503 /nfs/dbraw/zinc/90/15/03/639901503.db2.gz NNSJYUVKZVNDJC-NSHDSACASA-N 0 3 262.191 2.426 20 30 CEEDHN CO[C@]1(C)C[C@@H](NCc2cnc3ccc(C#N)cn23)C1(C)C ZINC000174132840 312687296 /nfs/dbraw/zinc/68/72/96/312687296.db2.gz PVYLBVHZRJMMOK-RHSMWYFYSA-N 0 3 298.390 2.499 20 30 CEEDHN Cc1noc(CCN[C@@H](C)c2ccc(OCC#N)cc2)n1 ZINC000181926828 327744290 /nfs/dbraw/zinc/74/42/90/327744290.db2.gz FAMBATPAQZWQBG-NSHDSACASA-N 0 3 286.335 2.174 20 30 CEEDHN COc1cc(CNC[C@H](O)CCC(C)C)ccc1C#N ZINC000563011194 313714163 /nfs/dbraw/zinc/71/41/63/313714163.db2.gz LDALJBQCROHMBK-OAHLLOKOSA-N 0 3 276.380 2.454 20 30 CEEDHN Cc1csc(NC(=O)NC[C@H]2CCCN2C)c1C#N ZINC000571295052 314083889 /nfs/dbraw/zinc/08/38/89/314083889.db2.gz NHUWYGCHWMGQTP-SNVBAGLBSA-N 0 3 278.381 2.144 20 30 CEEDHN C[C@@H]1COCCN1C1CCN(Cc2ccccc2C#N)CC1 ZINC000573181151 314144329 /nfs/dbraw/zinc/14/43/29/314144329.db2.gz AUDRRLRBVDCQEE-OAHLLOKOSA-N 0 3 299.418 2.243 20 30 CEEDHN C[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)N1CCCC1 ZINC000573512043 314163071 /nfs/dbraw/zinc/16/30/71/314163071.db2.gz RWLQWPBODOPSRA-NSHDSACASA-N 0 3 291.782 2.426 20 30 CEEDHN N#Cc1ccc(N2CC[C@H](NC3(C4CC4)CC3)C2=O)cc1 ZINC000577201183 314351952 /nfs/dbraw/zinc/35/19/52/314351952.db2.gz NREFNBRFVNRIPJ-HNNXBMFYSA-N 0 3 281.359 2.196 20 30 CEEDHN C#CCOc1ccccc1CNCCCc1c[nH]nc1C ZINC000030667068 327941111 /nfs/dbraw/zinc/94/11/11/327941111.db2.gz SQCDQQKUPXCHIT-UHFFFAOYSA-N 0 3 283.375 2.453 20 30 CEEDHN C[C@@H](C#N)C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000337005135 327948843 /nfs/dbraw/zinc/94/88/43/327948843.db2.gz ZIOFYKZVHPRRSZ-HNNXBMFYSA-N 0 3 287.407 2.169 20 30 CEEDHN C=C(C)COCCNCc1cc(OC)ccc1OC ZINC000125769882 328002739 /nfs/dbraw/zinc/00/27/39/328002739.db2.gz OAANJWBOLYESMO-UHFFFAOYSA-N 0 3 265.353 2.386 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@H](OCC(F)(F)F)C1 ZINC000531614161 328019203 /nfs/dbraw/zinc/01/92/03/328019203.db2.gz MIOANPRDNSDAMI-NEPJUHHUSA-N 0 3 281.318 2.357 20 30 CEEDHN CN(C(=O)C(C)(C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268505763 328068590 /nfs/dbraw/zinc/06/85/90/328068590.db2.gz CFKUMUOWKIOWGO-OAHLLOKOSA-N 0 3 285.391 2.269 20 30 CEEDHN CC(C)(C)OC(=O)CNC(=N)Nc1cc(F)ccc1F ZINC000262289214 328147674 /nfs/dbraw/zinc/14/76/74/328147674.db2.gz NFVDOVXBYZOZHT-UHFFFAOYSA-N 0 3 285.294 2.033 20 30 CEEDHN N#CCc1cccc(C(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000277554123 328221464 /nfs/dbraw/zinc/22/14/64/328221464.db2.gz OPMGWTKLMXTHMC-QGZVFWFLSA-N 0 3 297.402 2.499 20 30 CEEDHN C=CC[C@@H](CO)NCc1cccc(OCCCC#N)c1 ZINC000184285121 329258801 /nfs/dbraw/zinc/25/88/01/329258801.db2.gz LTKAQJDODUPUDC-HNNXBMFYSA-N 0 3 274.364 2.396 20 30 CEEDHN CC#CCCN1CCC(CO)(c2ccccc2)CC1 ZINC000293436239 328275973 /nfs/dbraw/zinc/27/59/73/328275973.db2.gz UTUHPHRZAJOZST-UHFFFAOYSA-N 0 3 257.377 2.426 20 30 CEEDHN COc1ccccc1[C@H](NC(=O)C(C)C#N)c1ccccn1 ZINC000340743550 328398875 /nfs/dbraw/zinc/39/88/75/328398875.db2.gz VBUBVFFJCGAHLX-WBMJQRKESA-N 0 3 295.342 2.455 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@](C)(CO)C1CCCCC1 ZINC000077656912 328490629 /nfs/dbraw/zinc/49/06/29/328490629.db2.gz FHUPESKEDIPLFL-QGZVFWFLSA-N 0 3 294.439 2.108 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(SC)cc1 ZINC000281806611 328503409 /nfs/dbraw/zinc/50/34/09/328503409.db2.gz IWWLOIAEIVHFHQ-NEPJUHHUSA-N 0 3 276.405 2.197 20 30 CEEDHN C=CCNC(=O)CN[C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000281817829 328503658 /nfs/dbraw/zinc/50/36/58/328503658.db2.gz ZKMOWGSSTRXEAQ-CABCVRRESA-N 0 3 287.407 2.308 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000292564956 328538140 /nfs/dbraw/zinc/53/81/40/328538140.db2.gz UQCYENWIJLUKHM-CHWSQXEVSA-N 0 3 291.420 2.206 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCCOC)C(C)C ZINC000299177240 326926530 /nfs/dbraw/zinc/92/65/30/326926530.db2.gz XPRATQKDBVIPOX-HNNXBMFYSA-N 0 3 282.428 2.228 20 30 CEEDHN C=CCC[C@@H](NCCN1CCCC1=O)c1ccco1 ZINC000581315583 327086965 /nfs/dbraw/zinc/08/69/65/327086965.db2.gz JSVDMNIQMCWWGE-CYBMUJFWSA-N 0 3 262.353 2.499 20 30 CEEDHN C=CCCC(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000374296880 327095105 /nfs/dbraw/zinc/09/51/05/327095105.db2.gz QQGNULKUFLLYFC-LSDHHAIUSA-N 0 3 258.365 2.167 20 30 CEEDHN C#CCN1CCC(C(=O)NCC2(CC(C)C)CC2)CC1 ZINC000150743287 327369425 /nfs/dbraw/zinc/36/94/25/327369425.db2.gz UOULHWDNEZCBFK-UHFFFAOYSA-N 0 3 276.424 2.274 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@]1(C)CC1(Cl)Cl ZINC000491295868 332183982 /nfs/dbraw/zinc/18/39/82/332183982.db2.gz JKNGDPUCOVULLU-GFCCVEGCSA-N 0 3 291.222 2.032 20 30 CEEDHN CN(C)[C@H]1CCCN(C(=O)NCC(C)(C)CCC#N)C1 ZINC000358745931 328893326 /nfs/dbraw/zinc/89/33/26/328893326.db2.gz XVGUQSPCARLIAY-ZDUSSCGKSA-N 0 3 280.416 2.052 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCCC[C@@H](CCOC)C1 ZINC000375103000 329000604 /nfs/dbraw/zinc/00/06/04/329000604.db2.gz BEBKSMQVVYABBK-INIZCTEOSA-N 0 3 294.439 2.326 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)NCC(C)(C)CCC#N)C[C@@H]21 ZINC000377005762 329009014 /nfs/dbraw/zinc/00/90/14/329009014.db2.gz NDBPDYCSTBXVMO-KBPBESRZSA-N 0 3 292.427 2.052 20 30 CEEDHN C=C(CNC(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1)c1ccccc1 ZINC000377005629 329009120 /nfs/dbraw/zinc/00/91/20/329009120.db2.gz MUIKQGGXLVTBAW-DLBZAZTESA-N 0 3 299.418 2.435 20 30 CEEDHN C=C(C)CN1CCC[C@H](c2n[nH]cc2NC(C)=O)C1 ZINC000378537923 329054461 /nfs/dbraw/zinc/05/44/61/329054461.db2.gz LNTGWHSNQVGXGV-LBPRGKRZSA-N 0 3 262.357 2.124 20 30 CEEDHN C#CCOc1ccc(CN[C@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000172068688 329080690 /nfs/dbraw/zinc/08/06/90/329080690.db2.gz AZHFYNBBHPGPIG-OALUTQOASA-N 0 3 293.366 2.447 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000172962873 329141279 /nfs/dbraw/zinc/14/12/79/329141279.db2.gz QCOBMDRSNCRZAO-MELADBBJSA-N 0 3 264.413 2.387 20 30 CEEDHN C=CCSCCNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000174421756 329158954 /nfs/dbraw/zinc/15/89/54/329158954.db2.gz BBKYHCAJTJGMOH-STQMWFEESA-N 0 3 285.457 2.030 20 30 CEEDHN CCOC(=O)N1CCCN(CCCC(C)(C)C#N)CC1 ZINC000174837232 329163936 /nfs/dbraw/zinc/16/39/36/329163936.db2.gz IEVHAJRFLDLRMM-UHFFFAOYSA-N 0 3 281.400 2.481 20 30 CEEDHN C[C@@H](N(C)CC(=O)NC1(C#N)CCCCC1)C1(C)CC1 ZINC000177246490 329182325 /nfs/dbraw/zinc/18/23/25/329182325.db2.gz OLJMBNMGVDZYSC-CYBMUJFWSA-N 0 3 277.412 2.449 20 30 CEEDHN C=C(C)CN(C)CCOc1ccc(C#N)cc1OC ZINC000181291237 329230050 /nfs/dbraw/zinc/23/00/50/329230050.db2.gz ZGYUCGYSBBPZNH-UHFFFAOYSA-N 0 3 260.337 2.454 20 30 CEEDHN N#CCSCCCN1CCCN(c2ccccn2)CC1 ZINC000183841748 329253398 /nfs/dbraw/zinc/25/33/98/329253398.db2.gz UDXOKTLNHNIFCE-UHFFFAOYSA-N 0 3 290.436 2.241 20 30 CEEDHN CC[C@@H](CC#N)NC1CCN(Cc2cccnc2)CC1 ZINC000184087184 329255972 /nfs/dbraw/zinc/25/59/72/329255972.db2.gz LAVJGIUJOFYFAF-HNNXBMFYSA-N 0 3 272.396 2.328 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000185351686 329270838 /nfs/dbraw/zinc/27/08/38/329270838.db2.gz DAHJXWUDAGKTPA-CABCVRRESA-N 0 3 282.428 2.158 20 30 CEEDHN N#CCCCNCCC(=O)Nc1cc(F)cc(F)c1 ZINC000582960679 329289951 /nfs/dbraw/zinc/28/99/51/329289951.db2.gz HVCKNYGFCLHYDT-UHFFFAOYSA-N 0 3 267.279 2.187 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC000186239872 329340241 /nfs/dbraw/zinc/34/02/41/329340241.db2.gz CDEGBTVHVLMFPK-GDBMZVCRSA-N 0 3 264.413 2.435 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000186300380 329341320 /nfs/dbraw/zinc/34/13/20/329341320.db2.gz UBHZYZFVKYWSDB-LSDHHAIUSA-N 0 3 282.428 2.348 20 30 CEEDHN C=CCOc1ccc(C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000186769872 329349713 /nfs/dbraw/zinc/34/97/13/329349713.db2.gz LRWUXZRUJAPBJK-UHFFFAOYSA-N 0 3 288.391 2.418 20 30 CEEDHN C=CCSCCNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000189764388 329385599 /nfs/dbraw/zinc/38/55/99/329385599.db2.gz VKEBGCSNNXGVPO-UHFFFAOYSA-N 0 3 285.457 2.031 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCCC1(C)C ZINC000392815007 329387235 /nfs/dbraw/zinc/38/72/35/329387235.db2.gz OQYKCCQRJNDUHL-AWEZNQCLSA-N 0 3 264.413 2.274 20 30 CEEDHN C=C[C@H](C)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000128601256 329609901 /nfs/dbraw/zinc/60/99/01/329609901.db2.gz QGZRRJSJCJBAMH-LBPRGKRZSA-N 0 3 261.369 2.122 20 30 CEEDHN C=C(C)CCN[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000419219950 329712275 /nfs/dbraw/zinc/71/22/75/329712275.db2.gz IBXYHSYKAIWRNM-ZDUSSCGKSA-N 0 3 266.772 2.292 20 30 CEEDHN CC(C)(C)N1C[C@H](N[C@H]2CCC[C@@H](C#N)C2)CC1=O ZINC000248707387 329897568 /nfs/dbraw/zinc/89/75/68/329897568.db2.gz AWJUKZDBFJMIDI-FRRDWIJNSA-N 0 3 263.385 2.058 20 30 CEEDHN C#CCN(CC)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000270372964 330075085 /nfs/dbraw/zinc/07/50/85/330075085.db2.gz DKWKOCOEDZUZAN-HOTGVXAUSA-N 0 3 285.391 2.097 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@]23C[C@@H]2CCC3)CC1 ZINC000421768218 330077194 /nfs/dbraw/zinc/07/71/94/330077194.db2.gz NFHGPCBNFGSFCS-BBRMVZONSA-N 0 3 262.397 2.333 20 30 CEEDHN C#CCN(C(=O)NC[C@H](C)N(C)Cc1ccccc1)C1CC1 ZINC000274089096 330101734 /nfs/dbraw/zinc/10/17/34/330101734.db2.gz IEVKMUFULQPVCX-HNNXBMFYSA-N 0 3 299.418 2.314 20 30 CEEDHN C#CCN(CCC(=O)Nc1ccc(OC)cc1)C1CC1 ZINC000274187156 330103782 /nfs/dbraw/zinc/10/37/82/330103782.db2.gz PSTBBUIGTWDYPF-UHFFFAOYSA-N 0 3 272.348 2.121 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@H](N)c1ccccc1CC ZINC000423990355 330217476 /nfs/dbraw/zinc/21/74/76/330217476.db2.gz ZEGYIENCWXNRAZ-CJNGLKHVSA-N 0 3 290.407 2.346 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NC1(c2ccccc2)CCC1 ZINC000424058830 330218680 /nfs/dbraw/zinc/21/86/80/330218680.db2.gz DVZOMUAOJGZFNO-CQSZACIVSA-N 0 3 271.364 2.203 20 30 CEEDHN CC(C)CN(CC(C)C)C(=O)[C@H](N)CCCC#N ZINC000424070705 330219971 /nfs/dbraw/zinc/21/99/71/330219971.db2.gz APBFIJSIXKHMBY-CYBMUJFWSA-N 0 3 253.390 2.148 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(Cl)c1 ZINC000424071433 330220059 /nfs/dbraw/zinc/22/00/59/330220059.db2.gz BLNAJCQXVXZNBZ-LLVKDONJSA-N 0 3 251.717 2.300 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(Cl)cc1F ZINC000424072072 330220341 /nfs/dbraw/zinc/22/03/41/330220341.db2.gz CCQZRYJAGVFLLB-SNVBAGLBSA-N 0 3 269.707 2.439 20 30 CEEDHN COc1ccc(Cl)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424074287 330220493 /nfs/dbraw/zinc/22/04/93/330220493.db2.gz GWRUNNGOMFZWFH-JTQLQIEISA-N 0 3 281.743 2.308 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCc1cccc2ccccc21 ZINC000424088275 330224057 /nfs/dbraw/zinc/22/40/57/330224057.db2.gz GSCBZVJQDHQPDJ-INIZCTEOSA-N 0 3 281.359 2.477 20 30 CEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1c(F)cccc1F ZINC000424099088 330231070 /nfs/dbraw/zinc/23/10/70/330231070.db2.gz LTDKZGQCUKYLMH-JOYOIKCWSA-N 0 3 281.306 2.163 20 30 CEEDHN CCOc1cc(NC(=O)[C@@H](N)CCCC#N)ccc1OC ZINC000424104508 330233833 /nfs/dbraw/zinc/23/38/33/330233833.db2.gz UMUKHCDBWNWMLC-LBPRGKRZSA-N 0 3 291.351 2.054 20 30 CEEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)C(C)(C)c1ccccc1 ZINC000424115518 330243427 /nfs/dbraw/zinc/24/34/27/330243427.db2.gz VKPHTLOVAGVPAA-HIFRSBDPSA-N 0 3 287.407 2.490 20 30 CEEDHN COc1cccc(F)c1[C@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424123785 330256212 /nfs/dbraw/zinc/25/62/12/330256212.db2.gz LIVPJOIPKFKJHO-CMPLNLGQSA-N 0 3 293.342 2.033 20 30 CEEDHN CC(C)C[C@@H]1CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424125188 330258491 /nfs/dbraw/zinc/25/84/91/330258491.db2.gz NMPPOXKTJQNZHR-UONOGXRCSA-N 0 3 265.401 2.292 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N(C(=O)[C@H](N)CCCC#N)C1 ZINC000424128527 330259826 /nfs/dbraw/zinc/25/98/26/330259826.db2.gz RJRKJWMHZRKXQY-FRRDWIJNSA-N 0 3 251.374 2.045 20 30 CEEDHN C[C@]1(c2ccccc2)CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424133123 330265542 /nfs/dbraw/zinc/26/55/42/330265542.db2.gz YTLIFUIUVCIAOE-RDJZCZTQSA-N 0 3 285.391 2.198 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(OCC(F)F)cc1 ZINC000424133708 330266252 /nfs/dbraw/zinc/26/62/52/330266252.db2.gz ZRSXLOLDXVPRGO-GFCCVEGCSA-N 0 3 297.305 2.290 20 30 CEEDHN Cc1cc(N(C)C)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000424133811 330266437 /nfs/dbraw/zinc/26/64/37/330266437.db2.gz MRDXGQBUBDFBPE-ZDUSSCGKSA-N 0 3 274.368 2.021 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCc2c(Cl)cccc2C1 ZINC000424134131 330266529 /nfs/dbraw/zinc/26/65/29/330266529.db2.gz HMDQNODKGKWHLY-AWEZNQCLSA-N 0 3 291.782 2.246 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000424135909 330270819 /nfs/dbraw/zinc/27/08/19/330270819.db2.gz ZZLHJTAOLNWDSD-SYQHCUMBSA-N 0 3 263.385 2.093 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000424135903 330270874 /nfs/dbraw/zinc/27/08/74/330270874.db2.gz ZZLHJTAOLNWDSD-DGAVXFQQSA-N 0 3 263.385 2.093 20 30 CEEDHN C[C@@H](CNC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1F ZINC000424142585 330285031 /nfs/dbraw/zinc/28/50/31/330285031.db2.gz PWLMYLLAEIOLFB-IINYFYTJSA-N 0 3 295.333 2.206 20 30 CEEDHN Cc1nc(C)c([C@H](C)N(C)C(=O)[C@@H](N)CCCC#N)s1 ZINC000424143978 330288078 /nfs/dbraw/zinc/28/80/78/330288078.db2.gz KLZDOHUEIJHPJE-JQWIXIFHSA-N 0 3 294.424 2.301 20 30 CEEDHN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000424144472 330289977 /nfs/dbraw/zinc/28/99/77/330289977.db2.gz SKROKWVRGXLCTM-KCPJHIHWSA-N 0 3 271.364 2.057 20 30 CEEDHN CC(C)(CNC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1 ZINC000424147693 330294160 /nfs/dbraw/zinc/29/41/60/330294160.db2.gz YRMQROKDVJPMHY-CQSZACIVSA-N 0 3 291.370 2.241 20 30 CEEDHN CCCCO[C@@H]1C[C@H](NC(=O)[C@H](N)CCCC#N)C1(C)C ZINC000424148358 330295019 /nfs/dbraw/zinc/29/50/19/330295019.db2.gz FGFXQSSLWLJDTR-HZSPNIEDSA-N 0 3 295.427 2.108 20 30 CEEDHN CC[C@H](NC(=O)[C@@H](N)CCCC#N)c1nc(C)cs1 ZINC000424157067 330304674 /nfs/dbraw/zinc/30/46/74/330304674.db2.gz PAWLMGIHGMDXLB-QWRGUYRKSA-N 0 3 280.397 2.040 20 30 CEEDHN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)[C@H](N)CCCC#N ZINC000424165220 330308833 /nfs/dbraw/zinc/30/88/33/330308833.db2.gz AENFIMDXJORAPX-MGPQQGTHSA-N 0 3 295.427 2.060 20 30 CEEDHN CCN(C(=O)[C@H](N)CCCC#N)[C@H](C)c1cccnc1 ZINC000424165400 330309211 /nfs/dbraw/zinc/30/92/11/330309211.db2.gz BJOBIAMJMGFHKJ-TZMCWYRMSA-N 0 3 274.368 2.012 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1c(OC)cccc1OC ZINC000424170330 330310849 /nfs/dbraw/zinc/31/08/49/330310849.db2.gz JGAKHQJENUGOCA-JSGCOSHPSA-N 0 3 277.364 2.385 20 30 CEEDHN CC(C#N)C(=O)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000548642204 330322439 /nfs/dbraw/zinc/32/24/39/330322439.db2.gz AEQCFFSTNCSVDL-RNCFNFMXSA-N 0 3 280.274 2.024 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000424214694 330328858 /nfs/dbraw/zinc/32/88/58/330328858.db2.gz CXLVTAUSZCHFGB-MJBXVCDLSA-N 0 3 263.385 2.093 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(CC1CC1)C(C)C ZINC000533358875 330359496 /nfs/dbraw/zinc/35/94/96/330359496.db2.gz HMDMWFJLUSUYKH-UHFFFAOYSA-N 0 3 250.386 2.307 20 30 CEEDHN C=CCOCC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000428896438 330534290 /nfs/dbraw/zinc/53/42/90/330534290.db2.gz BYTVKWXDPVCWQR-HNNXBMFYSA-N 0 3 276.380 2.129 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2C2CC2)CC1 ZINC000430577641 330569268 /nfs/dbraw/zinc/56/92/68/330569268.db2.gz ZGSYHWQJEQHPQS-LSDHHAIUSA-N 0 3 277.412 2.125 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CO[C@H](C)C1)C(C)C ZINC000439270279 330736141 /nfs/dbraw/zinc/73/61/41/330736141.db2.gz HPYFRKCHAQJUBS-BZUAXINKSA-N 0 3 294.439 2.226 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN[C@@H](CO)[C@H]1CCCO1 ZINC000447908730 330879879 /nfs/dbraw/zinc/87/98/79/330879879.db2.gz VIYHMOSOYINVDS-JKSUJKDBSA-N 0 3 288.391 2.117 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc2ccccn12 ZINC000449548553 330935721 /nfs/dbraw/zinc/93/57/21/330935721.db2.gz OMRSGNYFQDQSQT-KGLIPLIRSA-N 0 3 257.337 2.158 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N(CCO)C1CCC1 ZINC000451242410 331021666 /nfs/dbraw/zinc/02/16/66/331021666.db2.gz NJBAFCZUIMNOQQ-OAHLLOKOSA-N 0 3 286.375 2.132 20 30 CEEDHN OC[C@@H]([C@@H](NCC#Cc1ccccc1)C1CC1)C1CC1 ZINC000451592468 331035402 /nfs/dbraw/zinc/03/54/02/331035402.db2.gz BWBQOACINJMSCC-MSOLQXFVSA-N 0 3 269.388 2.425 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000451597460 331035628 /nfs/dbraw/zinc/03/56/28/331035628.db2.gz IKPGEVHBZLDTOO-XQLPTFJDSA-N 0 3 280.412 2.099 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000451601221 331035910 /nfs/dbraw/zinc/03/59/10/331035910.db2.gz USTFWCLZPKJHSN-UGQVUOCMSA-N 0 3 288.391 2.185 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451606324 331036397 /nfs/dbraw/zinc/03/63/97/331036397.db2.gz HTCWKXFQXRVJAJ-YPMHNXCESA-N 0 3 278.308 2.037 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(C)c(C)c1 ZINC000451607887 331036491 /nfs/dbraw/zinc/03/64/91/331036491.db2.gz QWIUTANIFHFWOQ-CABCVRRESA-N 0 3 274.364 2.175 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C(=O)OC)oc1CC ZINC000451679187 331038781 /nfs/dbraw/zinc/03/87/81/331038781.db2.gz YKXRZYUAHZWPRS-OCCSQVGLSA-N 0 3 293.363 2.452 20 30 CEEDHN CC[C@@H]1CN(CC)CCN1CC#Cc1ccccc1 ZINC000451742303 331040873 /nfs/dbraw/zinc/04/08/73/331040873.db2.gz QWLZKOPWJZDPDW-QGZVFWFLSA-N 0 3 256.393 2.454 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCN([C@H](C)CC)CC1 ZINC000451830484 331043925 /nfs/dbraw/zinc/04/39/25/331043925.db2.gz YOEWICQZYAPRCN-CVEARBPZSA-N 0 3 295.471 2.216 20 30 CEEDHN C=CCn1cccc1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452170225 331057008 /nfs/dbraw/zinc/05/70/08/331057008.db2.gz HXIOVLCCYSRFNY-AWEZNQCLSA-N 0 3 287.407 2.230 20 30 CEEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc(OC)ncc1F ZINC000453358436 331122074 /nfs/dbraw/zinc/12/20/74/331122074.db2.gz ODLPSXXLSQEVML-QWRGUYRKSA-N 0 3 268.332 2.207 20 30 CEEDHN C=CCOc1cccc(CNC[C@@]2(C)CCC(=O)N2)c1 ZINC000453596149 331135447 /nfs/dbraw/zinc/13/54/47/331135447.db2.gz ZTLOMEIBIAEFHO-MRXNPFEDSA-N 0 3 274.364 2.010 20 30 CEEDHN C=CC(C)(C)CNC(=O)NCCN1CCCC[C@H]1C ZINC000454307831 331143932 /nfs/dbraw/zinc/14/39/32/331143932.db2.gz WGZONYNWCQWTCW-CYBMUJFWSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CC(C)(C)CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000454670185 331150960 /nfs/dbraw/zinc/15/09/60/331150960.db2.gz SIWINCDTYKOYTM-RYUDHWBXSA-N 0 3 265.401 2.123 20 30 CEEDHN CN(CCN1CCCC1)C(=O)Nc1cccc(CC#N)c1 ZINC000455910493 331180586 /nfs/dbraw/zinc/18/05/86/331180586.db2.gz CRGTWMDYUGCUIN-UHFFFAOYSA-N 0 3 286.379 2.312 20 30 CEEDHN CC[C@H](NC(=O)C(C#N)CCc1ccccc1)[C@@H](C)O ZINC000456275303 331188717 /nfs/dbraw/zinc/18/87/17/331188717.db2.gz XIMIAVYRQHRYOE-YUELXQCFSA-N 0 3 274.364 2.035 20 30 CEEDHN C[C@@H]1CC[C@@H](CNC(=O)C(C#N)CCc2ccccc2)O1 ZINC000457360969 331219981 /nfs/dbraw/zinc/21/99/81/331219981.db2.gz KJSSABQGFCXXPT-BMFZPTHFSA-N 0 3 286.375 2.443 20 30 CEEDHN C=CCNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000457405258 331221540 /nfs/dbraw/zinc/22/15/40/331221540.db2.gz JZQDCALXCMJHHM-UHFFFAOYSA-N 0 3 267.398 2.007 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(C2CC2)nc1 ZINC000459579544 331289209 /nfs/dbraw/zinc/28/92/09/331289209.db2.gz YXLPJSZJFCTGTA-KGLIPLIRSA-N 0 3 259.353 2.177 20 30 CEEDHN C[S@@](=O)c1ccc(CNCC(C)(C)CC#N)cc1 ZINC000459727574 331296195 /nfs/dbraw/zinc/29/61/95/331296195.db2.gz HGCSHEOYAOHSMD-GOSISDBHSA-N 0 3 264.394 2.453 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000488965363 332035850 /nfs/dbraw/zinc/03/58/50/332035850.db2.gz LQKPTVOEHHWASU-KGLIPLIRSA-N 0 3 275.396 2.086 20 30 CEEDHN CN(CC(=O)N[C@](C)(C#N)C1CC1)C1(C)CCCC1 ZINC000489821677 332069146 /nfs/dbraw/zinc/06/91/46/332069146.db2.gz BBWNUCUNJONFBD-OAHLLOKOSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCn1cccc1C(=O)NC[C@H](CC(C)C)N(C)C ZINC000490024429 332077367 /nfs/dbraw/zinc/07/73/67/332077367.db2.gz DEVSSNZFNSOOED-AWEZNQCLSA-N 0 3 277.412 2.380 20 30 CEEDHN C#CCN(C(=O)N[C@@H]1CCN(C2CC2)C1)C1CCCCC1 ZINC000490648691 332099680 /nfs/dbraw/zinc/09/96/80/332099680.db2.gz BDRUJIQDNHACHO-CQSZACIVSA-N 0 3 289.423 2.201 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@H](SC)C(C)(C)C)CC1 ZINC000490933609 332130446 /nfs/dbraw/zinc/13/04/46/332130446.db2.gz FEIJHFNGFUSUFS-AWEZNQCLSA-N 0 3 296.480 2.226 20 30 CEEDHN C#CC(C)(C)N(C)CCC(=O)Nc1ccc(C)cn1 ZINC000491165613 332159531 /nfs/dbraw/zinc/15/95/31/332159531.db2.gz MBWNEPJAEMTGFL-UHFFFAOYSA-N 0 3 259.353 2.062 20 30 CEEDHN C#C[C@H](C)N(C)CCC(=O)Nc1cccc(F)c1C ZINC000491251744 332174105 /nfs/dbraw/zinc/17/41/05/332174105.db2.gz BTUOSZAZLBHLPD-NSHDSACASA-N 0 3 262.328 2.416 20 30 CEEDHN C#C[C@H](C)N(C)CCOc1ccc(/C=C\C(=O)OC)cc1 ZINC000491372001 332198839 /nfs/dbraw/zinc/19/88/39/332198839.db2.gz HHMAZUZEOHDHPW-MSKHEQNASA-N 0 3 287.359 2.205 20 30 CEEDHN C#CCN(CCc1ccccc1C(=O)OC)C1CC1 ZINC000491494954 332222532 /nfs/dbraw/zinc/22/25/32/332222532.db2.gz GDJGETNPKBTGGV-UHFFFAOYSA-N 0 3 257.333 2.113 20 30 CEEDHN C#C[C@@H](NC(=O)N1CCC[C@H]1CN1CCCCC1)C(C)C ZINC000491536506 332231805 /nfs/dbraw/zinc/23/18/05/332231805.db2.gz KAXBAYMEYMMWTK-JKSUJKDBSA-N 0 3 291.439 2.304 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000491621693 332246909 /nfs/dbraw/zinc/24/69/09/332246909.db2.gz DGESKSVFUJIQTI-SJORKVTESA-N 0 3 299.418 2.212 20 30 CEEDHN C#C[C@H](CCC)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000491621689 332247004 /nfs/dbraw/zinc/24/70/04/332247004.db2.gz DGESKSVFUJIQTI-IAGOWNOFSA-N 0 3 299.418 2.212 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1ccccc1C ZINC000491625451 332249416 /nfs/dbraw/zinc/24/94/16/332249416.db2.gz KKUKUYXZADTBEY-UHFFFAOYSA-N 0 3 259.353 2.072 20 30 CEEDHN C#C[C@H](C)N(C)CC[C@@H](C(=O)OC)c1ccccc1 ZINC000491644039 332262600 /nfs/dbraw/zinc/26/26/00/332262600.db2.gz IIWQGRPONIBGIA-DZGCQCFKSA-N 0 3 259.349 2.287 20 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CCOC(=O)N1CCC([C@H](C)NCC2(C#N)CC2)CC1 ZINC000495529686 332521979 /nfs/dbraw/zinc/52/19/79/332521979.db2.gz OWEJGZRWMNIGCT-LBPRGKRZSA-N 0 3 279.384 2.137 20 30 CEEDHN C#CCCN1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000496161175 332540870 /nfs/dbraw/zinc/54/08/70/332540870.db2.gz ZMJTWKVMRNUTFP-UHFFFAOYSA-N 0 3 278.396 2.485 20 30 CEEDHN CC(C)(CNC[C@H](C#N)CCC#N)N1CCCCC1 ZINC000516965061 333088391 /nfs/dbraw/zinc/08/83/91/333088391.db2.gz IBHDLJITHFEDHW-AWEZNQCLSA-N 0 3 262.401 2.284 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000521755840 333186844 /nfs/dbraw/zinc/18/68/44/333186844.db2.gz JYKBDYSGVWBHIA-AWEZNQCLSA-N 0 3 282.428 2.300 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C)Cc2ccccc2C)CC1 ZINC000194061128 333264659 /nfs/dbraw/zinc/26/46/59/333264659.db2.gz JNPJEYPWNRRLDH-MRXNPFEDSA-N 0 3 298.430 2.387 20 30 CEEDHN COC[C@]1(N[C@@H]2CC[C@@H](C#N)C2)COc2ccccc2C1 ZINC000529669913 333505068 /nfs/dbraw/zinc/50/50/68/333505068.db2.gz WWPFKFNGHYVEJN-UNEWFSDZSA-N 0 3 286.375 2.289 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H](CC)C2)CC1 ZINC000129400529 333761472 /nfs/dbraw/zinc/76/14/72/333761472.db2.gz YQOTWJSUAMYVQJ-GOEBONIOSA-N 0 3 276.424 2.417 20 30 CEEDHN C=CCC[C@H](O)CN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000546637436 334042604 /nfs/dbraw/zinc/04/26/04/334042604.db2.gz GKEWJCODZHXCDC-QWHCGFSZSA-N 0 3 295.345 2.339 20 30 CEEDHN C[C@H]1OCC[C@@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000134238881 334085165 /nfs/dbraw/zinc/08/51/65/334085165.db2.gz QQLKHQGPSQVVEF-SMOPSLFNSA-N 0 3 256.349 2.377 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000547393898 334085411 /nfs/dbraw/zinc/08/54/11/334085411.db2.gz HOMHEMCVQHOJPK-RYUDHWBXSA-N 0 3 264.325 2.491 20 30 CEEDHN C[C@H](C(=O)N1CCC(C#N)CC1)N1[C@H](C)CC[C@@H]1C ZINC000245200373 334184620 /nfs/dbraw/zinc/18/46/20/334184620.db2.gz AKTZEJDAPYVCDZ-FRRDWIJNSA-N 0 3 263.385 2.010 20 30 CEEDHN CC[C@@H]1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000246175217 334238625 /nfs/dbraw/zinc/23/86/25/334238625.db2.gz 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/nfs/dbraw/zinc/53/73/97/526537397.db2.gz MLKBJCALDVUUHE-WBVHZDCISA-N 0 3 296.455 2.284 20 30 CEEDHN C=CCNC(=O)CNC/C(C)=C\c1ccccc1COC ZINC000352751077 526568698 /nfs/dbraw/zinc/56/86/98/526568698.db2.gz TVXSALWSKMAXHM-UVTDQMKNSA-N 0 3 288.391 2.128 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2ncc(C)o2)CC1 ZINC000353235247 526595569 /nfs/dbraw/zinc/59/55/69/526595569.db2.gz OXPXJRPJIINPBB-UHFFFAOYSA-N 0 3 278.356 2.145 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ncc(CN(C)C)s1 ZINC000352866490 526783058 /nfs/dbraw/zinc/78/30/58/526783058.db2.gz LTHGIPSDWMZBEM-DOMZBBRYSA-N 0 3 295.452 2.276 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H](CC)Cn1cncn1 ZINC000353428249 526950876 /nfs/dbraw/zinc/95/08/76/526950876.db2.gz QPVXGMQMMVDUOB-HNNXBMFYSA-N 0 3 286.379 2.411 20 30 CEEDHN C=CCCOCCCCC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000352591296 527333676 /nfs/dbraw/zinc/33/36/76/527333676.db2.gz RJFAYIFKAGUPOI-HZPDHXFCSA-N 0 3 294.439 2.302 20 30 CEEDHN CC(C)(C#N)CCN1CCS[C@H]2COCC[C@H]21 ZINC000336610592 527467350 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529001576 /nfs/dbraw/zinc/00/15/76/529001576.db2.gz XBWKRMKDPGLYTF-OAHLLOKOSA-N 0 3 285.391 2.471 20 30 CEEDHN CC1(C)C[C@@H](NCCOc2ccc(C#N)cc2)CO1 ZINC000417944540 529139174 /nfs/dbraw/zinc/13/91/74/529139174.db2.gz QDVZUEJCVOJKQC-CYBMUJFWSA-N 0 3 260.337 2.094 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)[C@](C)(C#N)CC ZINC000352824282 529273322 /nfs/dbraw/zinc/27/33/22/529273322.db2.gz MJSFDRGMQJPOGT-HIFRSBDPSA-N 0 3 265.401 2.307 20 30 CEEDHN C[C@H](CO)NN=C1CCCC[C@H]1N1CCCCCC1 ZINC000749816704 574447539 /nfs/dbraw/zinc/44/75/39/574447539.db2.gz SOWUWSJHBYXCQN-UKRRQHHQSA-N 0 3 267.417 2.131 20 30 CEEDHN C#Cc1ccc(C(=O)NCc2cccc(CN(C)C)c2)cn1 ZINC000728861619 574472729 /nfs/dbraw/zinc/47/27/29/574472729.db2.gz OAUKCNFLXCSALC-UHFFFAOYSA-N 0 3 293.370 2.055 20 30 CEEDHN C#Cc1ccc(C(=O)N2CCCN(C(C)(C)C)CC2)nc1 ZINC000728863602 574472830 /nfs/dbraw/zinc/47/28/30/574472830.db2.gz ZKCBUMOBVCKMCK-UHFFFAOYSA-N 0 3 285.391 2.009 20 30 CEEDHN c1ccc(CCCN=NC2CN3CCC2CC3)cc1 ZINC000729146422 574480565 /nfs/dbraw/zinc/48/05/65/574480565.db2.gz WHXDVGIFVXVEFC-UHFFFAOYSA-N 0 3 257.381 2.290 20 30 CEEDHN C=CCOCCNCc1ccc(-c2cnn(C)c2)s1 ZINC000669830401 574509220 /nfs/dbraw/zinc/50/92/20/574509220.db2.gz FUYLSKBWPGTECR-UHFFFAOYSA-N 0 3 277.393 2.441 20 30 CEEDHN CCCN1CCC(NC=C2C(=O)CC(CC)CC2=O)CC1 ZINC000730970692 574585582 /nfs/dbraw/zinc/58/55/82/574585582.db2.gz BFHXOAWDVIAIIE-UHFFFAOYSA-N 0 3 292.423 2.293 20 30 CEEDHN C#Cc1cccc(NC(=S)N[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000741502600 574603983 /nfs/dbraw/zinc/60/39/83/574603983.db2.gz HBHPJCTVMWKRQH-WFASDCNBSA-N 0 3 287.432 2.437 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000736671235 574794338 /nfs/dbraw/zinc/79/43/38/574794338.db2.gz CSKNUFMJSHHGFF-ZDUSSCGKSA-N 0 3 271.364 2.453 20 30 CEEDHN C#CCCN1CCC(NC(=O)CCc2cccs2)CC1 ZINC000740737101 574967024 /nfs/dbraw/zinc/96/70/24/574967024.db2.gz YEFPEPZXPPRMPO-UHFFFAOYSA-N 0 3 290.432 2.285 20 30 CEEDHN CC[C@@H](Cc1ccc(C)cc1)N(C)CC(=O)NCCC#N ZINC000743858291 575111340 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C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nsc2ccccc21 ZINC000960047488 613844217 /nfs/dbraw/zinc/84/42/17/613844217.db2.gz ASICGFGOTSHSCG-IMRBUKKESA-N 0 3 299.399 2.142 20 30 CEEDHN CCC(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)C[C@@H]1C ZINC000941692125 614902313 /nfs/dbraw/zinc/90/23/13/614902313.db2.gz FNXKOWWXGKRBLF-XJKSGUPXSA-N 0 3 285.391 2.295 20 30 CEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC001024319209 625514558 /nfs/dbraw/zinc/51/45/58/625514558.db2.gz XFAAVUHUDYZSKM-CQSZACIVSA-N 0 3 274.364 2.196 20 30 CEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001024373731 625535842 /nfs/dbraw/zinc/53/58/42/625535842.db2.gz PNIWVPRWLDBQOE-NCOADZHNSA-N 0 3 288.435 2.417 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1nccn1CC ZINC001024412373 625553017 /nfs/dbraw/zinc/55/30/17/625553017.db2.gz DVWGTFVDQODQKM-CQSZACIVSA-N 0 3 290.411 2.063 20 30 CEEDHN C[C@@H](OCC1CC1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000120257452 622622052 /nfs/dbraw/zinc/62/20/52/622622052.db2.gz HZNGONNSRBWMFB-RISCZKNCSA-N 0 3 286.331 2.149 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)co2)C1 ZINC001020489934 622645930 /nfs/dbraw/zinc/64/59/30/622645930.db2.gz IEWFSBZYIRZDQD-XYPYZODXSA-N 0 3 268.744 2.191 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001024513078 625591693 /nfs/dbraw/zinc/59/16/93/625591693.db2.gz NCYIFNQDUFDMJZ-CVEARBPZSA-N 0 3 293.455 2.018 20 30 CEEDHN CC(COC(=O)C[C@H](CC#N)c1ccccc1)[N+](=O)[O-] ZINC000813101671 623018299 /nfs/dbraw/zinc/01/82/99/623018299.db2.gz GTMYNDYYNGDYGQ-AAEUAGOBSA-N 0 3 276.292 2.282 20 30 CEEDHN CC(COC(=O)c1ccc(C(C)(C)C#N)cc1)[N+](=O)[O-] ZINC000813110223 623044326 /nfs/dbraw/zinc/04/43/26/623044326.db2.gz VEYPTUXXVYVFQX-JTQLQIEISA-N 0 3 276.292 2.310 20 30 CEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C2CCCC2)C1 ZINC001021492206 623229130 /nfs/dbraw/zinc/22/91/30/623229130.db2.gz HNICZXCCJQPZOL-HZPDHXFCSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cccs2)C1 ZINC001021510507 623240050 /nfs/dbraw/zinc/24/00/50/623240050.db2.gz 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C#C[C@H](NC1CC(S(=O)(=O)c2ccccc2)C1)C(C)C ZINC000894388031 629420330 /nfs/dbraw/zinc/42/03/30/629420330.db2.gz ZARIZDJBBQHRMC-BCLQGDPASA-N 0 3 291.416 2.239 20 30 CEEDHN C#CCCCN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000795140450 629455207 /nfs/dbraw/zinc/45/52/07/629455207.db2.gz DMJPVDADVSYUIO-OKILXGFUSA-N 0 3 264.413 2.367 20 30 CEEDHN C#C[C@H](C)N(C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894574815 629541155 /nfs/dbraw/zinc/54/11/55/629541155.db2.gz YJKLNTXJXNQBII-WDEREUQCSA-N 0 3 290.354 2.488 20 30 CEEDHN CN(C)CC#CCNc1nccc(Oc2ccccc2)n1 ZINC000894877292 629710911 /nfs/dbraw/zinc/71/09/11/629710911.db2.gz YJYPWBJKSZIZRF-UHFFFAOYSA-N 0 3 282.347 2.246 20 30 CEEDHN Cc1noc2ncc(CN[C@@H]3CC[C@H](C#N)C3)cc12 ZINC000895052866 629825844 /nfs/dbraw/zinc/82/58/44/629825844.db2.gz DMIFVMNXXDJRPJ-CMPLNLGQSA-N 0 3 256.309 2.313 20 30 CEEDHN COC(=O)[C@@H]1CC[C@@H](NCC2(C#N)CCCC2)C1 ZINC000895133633 629942068 /nfs/dbraw/zinc/94/20/68/629942068.db2.gz NGOWIQCADVOMEP-VXGBXAGGSA-N 0 3 250.342 2.002 20 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ZINC000895382424 630153071 /nfs/dbraw/zinc/15/30/71/630153071.db2.gz FTOXSHOAZIUDFH-ARJAWSKDSA-N 0 3 259.324 2.299 20 30 CEEDHN C#CC[C@H](CCOC)NCc1csc(C(=O)OC)c1 ZINC000895414312 630174059 /nfs/dbraw/zinc/17/40/59/630174059.db2.gz BMDNMBBGTDWWKS-GFCCVEGCSA-N 0 3 281.377 2.053 20 30 CEEDHN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)C(C#N)C(=O)N1CCCC1 ZINC000797546973 630286595 /nfs/dbraw/zinc/28/65/95/630286595.db2.gz ARTHGXOSKIQHPY-UKMLZYKCSA-N 0 3 296.370 2.367 20 30 CEEDHN C#CCC1(O)CCN(Cc2ccc(OC)c(C)c2)CC1 ZINC000895676048 630296480 /nfs/dbraw/zinc/29/64/80/630296480.db2.gz YOZDKHDEPOHWAF-UHFFFAOYSA-N 0 3 273.376 2.354 20 30 CEEDHN C[C@H](NCCN1CCCCC1)c1cc(C#N)ccn1 ZINC000902736472 634802415 /nfs/dbraw/zinc/80/24/15/634802415.db2.gz SMNLYBQESNNVQB-ZDUSSCGKSA-N 0 3 258.369 2.090 20 30 CEEDHN C#CCN1CCC[C@H](NCc2ccnc(Cl)c2F)C1 ZINC000895748356 630323460 /nfs/dbraw/zinc/32/34/60/630323460.db2.gz NFXXCIFJXXLOHV-LBPRGKRZSA-N 0 3 281.762 2.061 20 30 CEEDHN C[C@@H]1[C@@H](Nc2nc3ncccc3cc2C#N)CCN1C 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ZINC000905817762 636485917 /nfs/dbraw/zinc/48/59/17/636485917.db2.gz SWRZWBMKOUYUJG-FZMZJTMJSA-N 0 3 273.380 2.356 20 30 CEEDHN N#Cc1ccc([C@@H](NCC[C@@H]2C[C@H]2C2CC2)C(N)=O)cc1 ZINC000905845274 636503927 /nfs/dbraw/zinc/50/39/27/636503927.db2.gz GPHMLGJOQGBDSA-OWCLPIDISA-N 0 3 283.375 2.110 20 30 CEEDHN N#C[C@@]1(C(=O)NCCN2CCCCC2)CC2CCC1CC2 ZINC000906171089 636632595 /nfs/dbraw/zinc/63/25/95/636632595.db2.gz QFZKTVGQNASRCR-DQPZFDDXSA-N 0 3 289.423 2.309 20 30 CEEDHN C#C[C@H](N[C@@H]1C[C@H]1c1cccc(F)c1)[C@@H]1CCCO1 ZINC000906588826 636788749 /nfs/dbraw/zinc/78/87/49/636788749.db2.gz TZCGAWRVRNRBIJ-JONQDZQNSA-N 0 3 259.324 2.452 20 30 CEEDHN C[C@H](CNC(=O)[C@@]1(C#N)CC2CCC1CC2)N1CCCC1 ZINC000906577122 636794620 /nfs/dbraw/zinc/79/46/20/636794620.db2.gz JOOFUGAYXNPIAC-ARAOSMHQSA-N 0 3 289.423 2.307 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccsc2C#N)CC1 ZINC000906597441 636804151 /nfs/dbraw/zinc/80/41/51/636804151.db2.gz LQIXURNGVJHJIF-UHFFFAOYSA-N 0 3 289.404 2.390 20 30 CEEDHN N#CC[C@]1(O)CCN(C[C@H](O)c2cccc3ccccc32)C1 ZINC000829998188 636967205 /nfs/dbraw/zinc/96/72/05/636967205.db2.gz JGBVOORUSVFZOD-ROUUACIJSA-N 0 3 296.370 2.224 20 30 CEEDHN C#CC1CCN([C@H](C)C(=O)NC(CC)CC)CC1 ZINC000830316001 637033573 /nfs/dbraw/zinc/03/35/73/637033573.db2.gz ARHBGUBOWZFHCC-GFCCVEGCSA-N 0 3 250.386 2.025 20 30 CEEDHN C#CC1CCN([C@H](C)C(=O)NCc2ccccc2C)CC1 ZINC000830316177 637034283 /nfs/dbraw/zinc/03/42/83/637034283.db2.gz HOFWDPZYEJWNSM-OAHLLOKOSA-N 0 3 284.403 2.345 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1cccc(F)c1 ZINC000876554824 650322980 /nfs/dbraw/zinc/32/29/80/650322980.db2.gz UPKYKIZIYXCSIR-LBPRGKRZSA-N 0 3 270.735 2.254 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1C ZINC000876562101 650330115 /nfs/dbraw/zinc/33/01/15/650330115.db2.gz SBLJMEXYXDJMFZ-GFCCVEGCSA-N 0 3 252.745 2.081 20 30 CEEDHN C=CCCOCC(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908573148 637415199 /nfs/dbraw/zinc/41/51/99/637415199.db2.gz HRGAEUIDMXCJIZ-UHFFFAOYSA-N 0 3 280.412 2.056 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCOc1cccc(C)c1 ZINC000876567782 650334523 /nfs/dbraw/zinc/33/45/23/650334523.db2.gz DZRZGJRLUOKXBA-CQSZACIVSA-N 0 3 296.798 2.350 20 30 CEEDHN CC[C@H]1CN(CC)CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000831965265 637470470 /nfs/dbraw/zinc/47/04/70/637470470.db2.gz UYGRVGSAHVWYEA-IRXDYDNUSA-N 0 3 287.407 2.008 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(F)cc1F ZINC000876574365 650338891 /nfs/dbraw/zinc/33/88/91/650338891.db2.gz CFCAHPOIEULUIE-LBPRGKRZSA-N 0 3 288.725 2.393 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)Oc1ccc(C)cc1 ZINC000876591974 650349288 /nfs/dbraw/zinc/34/92/88/650349288.db2.gz DKEAPLICEAPKGH-OCCSQVGLSA-N 0 3 296.798 2.348 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(NC(C)=O)ccc1C ZINC000876598106 650353212 /nfs/dbraw/zinc/35/32/12/650353212.db2.gz KIDVONNITOHRKH-GFCCVEGCSA-N 0 3 295.770 2.362 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)COc1cccc(C)c1 ZINC000876611300 650358629 /nfs/dbraw/zinc/35/86/29/650358629.db2.gz WZPMVECYUCRJPZ-JSGCOSHPSA-N 0 3 296.798 2.348 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1OCCOC ZINC000876620500 650364027 /nfs/dbraw/zinc/36/40/27/650364027.db2.gz NHCKFZVKJRTBSB-LLVKDONJSA-N 0 3 298.770 2.120 20 30 CEEDHN COc1cc(C#N)ccc1C(=O)OCCN1CCCCC1 ZINC000910248353 637956751 /nfs/dbraw/zinc/95/67/51/637956751.db2.gz YRLKOKFONIRDMS-UHFFFAOYSA-N 0 3 288.347 2.210 20 30 CEEDHN C=C1CC(C)(C(=O)N2CCCN(CC)C[C@H]2C)C1 ZINC000910269868 637966335 /nfs/dbraw/zinc/96/63/35/637966335.db2.gz MAWCGPBZYVUBHT-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(CC)(CC)C1 ZINC000876658317 650382655 /nfs/dbraw/zinc/38/26/55/650382655.db2.gz SIJJPGQAWDYGNC-LLVKDONJSA-N 0 3 258.793 2.495 20 30 CEEDHN CC1(C)C[C@@H](NN=C2CCc3cc(N)ccc32)CCO1 ZINC000834972195 638004455 /nfs/dbraw/zinc/00/44/55/638004455.db2.gz JPRQPPQKOKCQCS-ZDUSSCGKSA-N 0 3 273.380 2.466 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCOC1CCCCCC1 ZINC000876662926 650385617 /nfs/dbraw/zinc/38/56/17/650385617.db2.gz SXHNIENNEVLADG-ZDUSSCGKSA-N 0 3 288.819 2.312 20 30 CEEDHN CC1(C)OCC[C@H]1NN=C1CCc2cc(N)ccc21 ZINC000835021347 638026900 /nfs/dbraw/zinc/02/69/00/638026900.db2.gz NOQBXLCKYSIPEB-CQSZACIVSA-N 0 3 259.353 2.076 20 30 CEEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000835063137 638044715 /nfs/dbraw/zinc/04/47/15/638044715.db2.gz HMPJHTYEYHILPG-STQMWFEESA-N 0 3 274.320 2.149 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1N(C)C(C)=O ZINC000876663973 650387038 /nfs/dbraw/zinc/38/70/38/650387038.db2.gz JNZSUBLQPDTDDQ-LLVKDONJSA-N 0 3 295.770 2.078 20 30 CEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3ccsn3)CCC[C@@H]12 ZINC000991294639 638195979 /nfs/dbraw/zinc/19/59/79/638195979.db2.gz BWAVLKGXUWCNEW-HIFRSBDPSA-N 0 3 291.420 2.446 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC[C@@H](OCC)C(C)C ZINC000876699762 650404700 /nfs/dbraw/zinc/40/47/00/650404700.db2.gz HWPOTBREOSHVAS-VXGBXAGGSA-N 0 3 276.808 2.024 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCCO[C@H]1C(C)C ZINC000876701902 650405675 /nfs/dbraw/zinc/40/56/75/650405675.db2.gz ZTANAOUWHQJQPA-AVGNSLFASA-N 0 3 288.819 2.024 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000911917740 638464359 /nfs/dbraw/zinc/46/43/59/638464359.db2.gz NVYQIZKBLFAMOQ-AWEZNQCLSA-N 0 3 275.352 2.267 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1csc(CC)n1 ZINC000876764661 650424808 /nfs/dbraw/zinc/42/48/08/650424808.db2.gz PPIXSWRMSUSZSP-IUCAKERBSA-N 0 3 287.816 2.353 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000911935640 638490646 /nfs/dbraw/zinc/49/06/46/638490646.db2.gz XGNAUNDUISXWKM-AWEZNQCLSA-N 0 3 278.352 2.326 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](c1cccnc1)C(C)C ZINC000876778467 650429241 /nfs/dbraw/zinc/42/92/41/650429241.db2.gz FZAQJMPWJDBVCX-ZIAGYGMSSA-N 0 3 295.814 2.407 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCCc1ccccc1OC ZINC000912057524 638526381 /nfs/dbraw/zinc/52/63/81/638526381.db2.gz GYTGBVHXIINPQX-CQSZACIVSA-N 0 3 276.380 2.038 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCC[C@@H](CC)C1 ZINC000836320602 638599091 /nfs/dbraw/zinc/59/90/91/638599091.db2.gz PXCIGMLQEYKASG-HUUCEWRRSA-N 0 3 279.428 2.210 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCC1(CCC)CCC1 ZINC000836358116 638610426 /nfs/dbraw/zinc/61/04/26/638610426.db2.gz OXXNQRJFRQKZBM-UHFFFAOYSA-N 0 3 279.428 2.211 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCc1c(C)cccc1C ZINC000836365674 638611566 /nfs/dbraw/zinc/61/15/66/638611566.db2.gz UZGDBCDILSUELI-UHFFFAOYSA-N 0 3 287.407 2.058 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000912225862 638615819 /nfs/dbraw/zinc/61/58/19/638615819.db2.gz MYUQELSBVNDGQQ-HZPDHXFCSA-N 0 3 288.391 2.270 20 30 CEEDHN C#Cc1cccc(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000836389996 638619378 /nfs/dbraw/zinc/61/93/78/638619378.db2.gz AWLICHKDWLDCDP-AWEZNQCLSA-N 0 3 297.402 2.118 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC)C1CCCC1 ZINC000836491283 638649815 /nfs/dbraw/zinc/64/98/15/638649815.db2.gz OTYFJHOSYIALTJ-HNNXBMFYSA-N 0 3 279.428 2.210 20 30 CEEDHN CC[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2C#N)C[C@H](C)N1 ZINC000912731113 639007845 /nfs/dbraw/zinc/00/78/45/639007845.db2.gz LMRCRDPKNRZXTK-NWDGAFQWSA-N 0 3 296.374 2.252 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)[C@@]2(C#N)CC3CCC2CC3)CCN1 ZINC000912765601 639012355 /nfs/dbraw/zinc/01/23/55/639012355.db2.gz GQSZCLJBLOSMNL-OCUYMYNFSA-N 0 3 289.423 2.163 20 30 CEEDHN CC#CC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000837062180 639034083 /nfs/dbraw/zinc/03/40/83/639034083.db2.gz SHEUMDTVJCYYSS-UHFFFAOYSA-N 0 3 264.413 2.369 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)cc1O ZINC000876872675 650467195 /nfs/dbraw/zinc/46/71/95/650467195.db2.gz JTPPERUKYFTMRI-SECBINFHSA-N 0 3 254.717 2.109 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000876874438 650468153 /nfs/dbraw/zinc/46/81/53/650468153.db2.gz FZWHHCCKISZZKJ-DLOVCJGASA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)c1nc(C)cs1 ZINC000876885511 650473881 /nfs/dbraw/zinc/47/38/81/650473881.db2.gz YROLYRWWGBSLNB-OIBJUYFYSA-N 0 3 287.816 2.141 20 30 CEEDHN CN(C)[C@H](CNC(=O)C#CC(C)(C)C)c1ccccc1 ZINC000837309407 639179919 /nfs/dbraw/zinc/17/99/19/639179919.db2.gz MIGSLJIFVVHJJU-OAHLLOKOSA-N 0 3 272.392 2.455 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(CC)ccc1O ZINC000876890006 650475262 /nfs/dbraw/zinc/47/52/62/650475262.db2.gz ULKRLYGYXPVIGX-JTQLQIEISA-N 0 3 268.744 2.363 20 30 CEEDHN C[C@H](CNC(=O)C1(C#N)CCCCC1)N1CCCCC1 ZINC000044386023 639192791 /nfs/dbraw/zinc/19/27/91/639192791.db2.gz DDBIIGZIXVZKGU-CQSZACIVSA-N 0 3 277.412 2.451 20 30 CEEDHN C[C@H]1CN(CCCCNC(=O)C#CC(C)(C)C)C[C@H](C)O1 ZINC000837460341 639238696 /nfs/dbraw/zinc/23/86/96/639238696.db2.gz YLNOXYZMFRTWKD-GJZGRUSLSA-N 0 3 294.439 2.042 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1COC ZINC000876591573 639309437 /nfs/dbraw/zinc/30/94/37/639309437.db2.gz LFVYCHRLEZJRQQ-NSHDSACASA-N 0 3 268.744 2.241 20 30 CEEDHN C#CCCCCCCN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000876805668 639381705 /nfs/dbraw/zinc/38/17/05/639381705.db2.gz DVDXCKUWQQRGBY-JKSUJKDBSA-N 0 3 265.397 2.450 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000876937633 650495605 /nfs/dbraw/zinc/49/56/05/650495605.db2.gz YIJYDGDALYVPAJ-UONOGXRCSA-N 0 3 294.782 2.136 20 30 CEEDHN COCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000126250276 650504604 /nfs/dbraw/zinc/50/46/04/650504604.db2.gz QAIYXGAQOHXZQL-AWEZNQCLSA-N 0 3 288.347 2.459 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(C#N)CCCCC1 ZINC000876970880 650512799 /nfs/dbraw/zinc/51/27/99/650512799.db2.gz FIOOUGXGCRMOTI-LLVKDONJSA-N 0 3 269.776 2.047 20 30 CEEDHN C#CC[C@H](NC(=O)N1CCN[C@@H](C)[C@H]1C)c1ccccc1 ZINC000841865160 639891372 /nfs/dbraw/zinc/89/13/72/639891372.db2.gz MBGYRXIJZIZCGS-LZWOXQAQSA-N 0 3 285.391 2.143 20 30 CEEDHN C=CCOc1ccccc1C(=O)N[C@@H]1CCN(C(C)C)C1 ZINC001014973087 639943431 /nfs/dbraw/zinc/94/34/31/639943431.db2.gz BTCOYPKBOREWQH-CQSZACIVSA-N 0 3 288.391 2.464 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@H]1CC=CCC1 ZINC000877032248 650539529 /nfs/dbraw/zinc/53/95/29/650539529.db2.gz IFWOJFWTIZWYCL-RYUDHWBXSA-N 0 3 256.777 2.319 20 30 CEEDHN Cc1ncccc1OC[C@H]1CCCN1CCO[C@@H](C)C#N ZINC000842173149 639973077 /nfs/dbraw/zinc/97/30/77/639973077.db2.gz LAJWGXACXFPTNQ-DZGCQCFKSA-N 0 3 289.379 2.162 20 30 CEEDHN CC[C@@H](OC1CCCC1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000842285121 639998062 /nfs/dbraw/zinc/99/80/62/639998062.db2.gz NBKCSDJEVGFNCC-ZIAGYGMSSA-N 0 3 292.379 2.055 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H]3CC34CCC4)CCC[C@@H]12 ZINC000992257263 640006479 /nfs/dbraw/zinc/00/64/79/640006479.db2.gz HKARWLCDHQHLAW-IIDMSEBBSA-N 0 3 286.419 2.313 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cncc(F)c1 ZINC000151599684 640044385 /nfs/dbraw/zinc/04/43/85/640044385.db2.gz UKTDRHMBHHYVHH-CYBMUJFWSA-N 0 3 283.262 2.182 20 30 CEEDHN CCN(CCO)N=C1CCCCc2ccc(N)cc21 ZINC000842539289 640094351 /nfs/dbraw/zinc/09/43/51/640094351.db2.gz UHTZKPQGSOVBEJ-UHFFFAOYSA-N 0 3 261.369 2.014 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3cccn3CC)CCC[C@@H]12 ZINC000992481603 640117609 /nfs/dbraw/zinc/11/76/09/640117609.db2.gz BQEULGDHCLIZPT-SJLPKXTDSA-N 0 3 299.418 2.258 20 30 CEEDHN C#CCSCCNCc1cnn(-c2ccc(F)cc2)c1 ZINC000152913471 640352912 /nfs/dbraw/zinc/35/29/12/640352912.db2.gz KMDGAKPKWGXCGW-UHFFFAOYSA-N 0 3 289.379 2.467 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C)n2C)[C@H]1C ZINC000993010370 640401651 /nfs/dbraw/zinc/40/16/51/640401651.db2.gz GAHWWJVTYRHSPV-CABCVRRESA-N 0 3 289.423 2.492 20 30 CEEDHN CCCCCCCC(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000915629815 640593122 /nfs/dbraw/zinc/59/31/22/640593122.db2.gz KEXPPHBHBKVXET-MRXNPFEDSA-N 0 3 297.487 2.489 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC)cc1F ZINC000877139582 650591664 /nfs/dbraw/zinc/59/16/64/650591664.db2.gz SJCGBHRVZQJHPK-JTQLQIEISA-N 0 3 272.707 2.243 20 30 CEEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccncc2C)[C@@H]1C ZINC000993320577 640600766 /nfs/dbraw/zinc/60/07/66/640600766.db2.gz XZMRIOSNWKBBOG-HOCLYGCPSA-N 0 3 287.407 2.088 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cnc(C)o2)[C@@H]1C ZINC000993413505 640639431 /nfs/dbraw/zinc/63/94/31/640639431.db2.gz MWQFAPJTWSAIHF-SWLSCSKDSA-N 0 3 291.395 2.071 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(CCF)CC1 ZINC000877147933 650596008 /nfs/dbraw/zinc/59/60/08/650596008.db2.gz PICDWBADNZUINF-LLVKDONJSA-N 0 3 262.756 2.055 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(F)c[nH]2)[C@@H]1C ZINC000993606443 640658967 /nfs/dbraw/zinc/65/89/67/640658967.db2.gz RLSGYVWSNOFMDE-WCQYABFASA-N 0 3 279.359 2.313 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2oncc2C)[C@@H]1C ZINC000994160386 640696180 /nfs/dbraw/zinc/69/61/80/640696180.db2.gz NKBIXWPJEPQAON-QWHCGFSZSA-N 0 3 277.368 2.142 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2c[nH]cc2C2CC2)[C@@H]1C ZINC000994134961 640696824 /nfs/dbraw/zinc/69/68/24/640696824.db2.gz LJWXBYYNNALTEF-GUYCJALGSA-N 0 3 299.418 2.498 20 30 CEEDHN C#CCCCCCCN[C@H](C)c1nnc2n1CCC2 ZINC000877164958 650605457 /nfs/dbraw/zinc/60/54/57/650605457.db2.gz DCYIUCPRWQJWMH-CYBMUJFWSA-N 0 3 260.385 2.459 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C(C)(C)C)[C@H]1C ZINC000994266856 640794445 /nfs/dbraw/zinc/79/44/45/640794445.db2.gz VYTCUCCNFKXECU-OLZOCXBDSA-N 0 3 250.386 2.025 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C(C)(C)OC)CC1 ZINC000917098568 640848480 /nfs/dbraw/zinc/84/84/80/640848480.db2.gz ZDWHNQBMTVPGIF-CYBMUJFWSA-N 0 3 297.443 2.140 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001015772983 640928625 /nfs/dbraw/zinc/92/86/25/640928625.db2.gz FSKCBHKRTGLVOF-WBVHZDCISA-N 0 3 284.403 2.312 20 30 CEEDHN CCC(=O)N[C@H]1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC000994563406 640949161 /nfs/dbraw/zinc/94/91/61/640949161.db2.gz WSSPQNPMZXQRAM-CJNGLKHVSA-N 0 3 285.391 2.343 20 30 CEEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccc1)n1ccnc1 ZINC000845441954 640975885 /nfs/dbraw/zinc/97/58/85/640975885.db2.gz IWSHDCMNGSNHQC-OCCSQVGLSA-N 0 3 296.330 2.182 20 30 CEEDHN CCCCCCCCCN(C)CC(=O)N1CCNC1=O ZINC000918742141 640989052 /nfs/dbraw/zinc/98/90/52/640989052.db2.gz XERARGDLYUYOOX-UHFFFAOYSA-N 0 3 283.416 2.221 20 30 CEEDHN C=C[C@H](C)ONC(=O)N(CCN(C)C)C1CCCC1 ZINC000845628089 641027207 /nfs/dbraw/zinc/02/72/07/641027207.db2.gz AVKVHCDWDWLXNA-LBPRGKRZSA-N 0 3 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/nfs/dbraw/zinc/43/02/59/643430259.db2.gz QBZYCVYEZANNKA-MRXNPFEDSA-N 0 3 276.355 2.252 20 30 CEEDHN C#Cc1ccc(C(=O)N(C)C2CCN(CC=C)CC2)cc1 ZINC001005805778 643436993 /nfs/dbraw/zinc/43/69/93/643436993.db2.gz ODZATJTZLAKJOQ-UHFFFAOYSA-N 0 3 282.387 2.390 20 30 CEEDHN C=C1CCC(CNC(=O)N[C@H]2CCN(CC)C2)CC1 ZINC000922910871 643448776 /nfs/dbraw/zinc/44/87/76/643448776.db2.gz SZSZGRFWNCTJOD-AWEZNQCLSA-N 0 3 265.401 2.126 20 30 CEEDHN C=C[C@H](CO)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000852714224 643521981 /nfs/dbraw/zinc/52/19/81/643521981.db2.gz FTRKBMYMIOHJAA-BXKDBHETSA-N 0 3 276.163 2.163 20 30 CEEDHN N#CCCNC(=O)CN1CCC[C@H](C2CCCCC2)C1 ZINC000852725397 643524096 /nfs/dbraw/zinc/52/40/96/643524096.db2.gz DHEZZMISXGXNMM-HNNXBMFYSA-N 0 3 277.412 2.309 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2csc(C)n2)CC1 ZINC001005875387 643525476 /nfs/dbraw/zinc/52/54/76/643525476.db2.gz GUHSGKJAPSJABH-UHFFFAOYSA-N 0 3 279.409 2.174 20 30 CEEDHN C#CCCN(CCOC)Cc1ccc(C#N)cc1C ZINC000852748972 643533641 /nfs/dbraw/zinc/53/36/41/643533641.db2.gz NNSXAZXJWWXWIC-UHFFFAOYSA-N 0 3 256.349 2.338 20 30 CEEDHN C#CCCN(CCOC)Cc1ccc(OCC#N)cc1 ZINC000852751598 643536314 /nfs/dbraw/zinc/53/63/14/643536314.db2.gz IEXUXOTXIZZVLI-UHFFFAOYSA-N 0 3 272.348 2.061 20 30 CEEDHN C=C(Br)CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000852797121 643555583 /nfs/dbraw/zinc/55/55/83/643555583.db2.gz LHVZOYMWRMEEOF-LBPRGKRZSA-N 0 3 295.180 2.246 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2nccc3[nH]ccc32)CC1 ZINC001006012420 643638883 /nfs/dbraw/zinc/63/88/83/643638883.db2.gz DCZXIJJFZRUOMX-UHFFFAOYSA-N 0 3 298.390 2.285 20 30 CEEDHN C#CCN(C(=O)NC[C@@H]1CCN1C1CCCC1)C(C)C ZINC000923451967 643721754 /nfs/dbraw/zinc/72/17/54/643721754.db2.gz OBFGMTVTOIXMDW-HNNXBMFYSA-N 0 3 277.412 2.057 20 30 CEEDHN Cn1ncc(C2CCC2)c1C=NNCCN1CCCCC1 ZINC000853291351 643731567 /nfs/dbraw/zinc/73/15/67/643731567.db2.gz HLXJZVUQHWJHMG-UHFFFAOYSA-N 0 3 289.427 2.097 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cnn3ccccc23)CC1 ZINC001006145704 643761142 /nfs/dbraw/zinc/76/11/42/643761142.db2.gz AZWXGIDNAZBEMM-UHFFFAOYSA-N 0 3 298.390 2.057 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cn1cc(-c2ccncn2)cn1 ZINC000853598070 643829628 /nfs/dbraw/zinc/82/96/28/643829628.db2.gz JKOIKHZQLVQZNK-GASCZTMLSA-N 0 3 281.363 2.481 20 30 CEEDHN C=CCN1CCN(CN(CCC2CC2)CC2CC2)C1=O ZINC000853604690 643831565 /nfs/dbraw/zinc/83/15/65/643831565.db2.gz AAXFOENZOUNVSN-UHFFFAOYSA-N 0 3 277.412 2.380 20 30 CEEDHN C[C@H](CCC#N)CNCc1nn(C)cc1C(F)F ZINC000877734706 650877705 /nfs/dbraw/zinc/87/77/05/650877705.db2.gz ZLJGZIMHTUJFPX-SECBINFHSA-N 0 3 256.300 2.387 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C)cc1OC ZINC000838623277 643980761 /nfs/dbraw/zinc/98/07/61/643980761.db2.gz YLHITPAEPUTUBS-UHFFFAOYSA-N 0 3 289.379 2.080 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@]1(C)CCCC[C@@H]1C ZINC000838622609 643981184 /nfs/dbraw/zinc/98/11/84/643981184.db2.gz WMRZDTNKWDPFHT-HOCLYGCPSA-N 0 3 279.428 2.210 20 30 CEEDHN C=CCONC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000838703472 643995992 /nfs/dbraw/zinc/99/59/92/643995992.db2.gz JZJQHDZDTFCVQI-AWEZNQCLSA-N 0 3 277.368 2.015 20 30 CEEDHN COc1ccc([C@@H](CN(C)C)NC(=O)C#CC(C)C)cc1 ZINC000854398044 644049152 /nfs/dbraw/zinc/04/91/52/644049152.db2.gz SMCXUCUZBNZTIL-MRXNPFEDSA-N 0 3 288.391 2.074 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccccc1C(C)C ZINC000854663228 644121929 /nfs/dbraw/zinc/12/19/29/644121929.db2.gz ZUAYPRUFTORSDW-UHFFFAOYSA-N 0 3 272.392 2.495 20 30 CEEDHN Cc1cc(CN2C[C@H](O)CC(C)(C)C2)ccc1C#N ZINC000877753363 650897298 /nfs/dbraw/zinc/89/72/98/650897298.db2.gz YFNACHDXYPPOTN-OAHLLOKOSA-N 0 3 258.365 2.460 20 30 CEEDHN COC(=O)c1coc(CN[C@H]2Cc3ccc(C#N)cc3C2)c1 ZINC000877766819 650903211 /nfs/dbraw/zinc/90/32/11/650903211.db2.gz MRGKHCNVERQOTE-HNNXBMFYSA-N 0 3 296.326 2.195 20 30 CEEDHN CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@H](CC#N)C2)C1 ZINC000855256749 644286133 /nfs/dbraw/zinc/28/61/33/644286133.db2.gz RLNAPIINORSAOX-CZUORRHYSA-N 0 3 295.402 2.351 20 30 CEEDHN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccccc1 ZINC000753933154 644296360 /nfs/dbraw/zinc/29/63/60/644296360.db2.gz CWRVZWSCIMHPRF-ZIAGYGMSSA-N 0 3 256.353 2.271 20 30 CEEDHN c1ccc2c(c1)OCCC2=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753937049 644297105 /nfs/dbraw/zinc/29/71/05/644297105.db2.gz VQHLRUNMGSABRF-OKILXGFUSA-N 0 3 284.363 2.033 20 30 CEEDHN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccsc1 ZINC000753937221 644297723 /nfs/dbraw/zinc/29/77/23/644297723.db2.gz ZAKYKFNEDWDIPU-RYUDHWBXSA-N 0 3 262.382 2.332 20 30 CEEDHN C=CCc1cc(CN2CCCOCC2)c(O)c(OC)c1 ZINC000754720793 644420618 /nfs/dbraw/zinc/42/06/18/644420618.db2.gz QGQNOVSOKLUEMZ-UHFFFAOYSA-N 0 3 277.364 2.352 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)CCC(C)(C)C ZINC000755602528 644534505 /nfs/dbraw/zinc/53/45/05/644534505.db2.gz FHZCTCPRRKRXKB-NEPJUHHUSA-N 0 3 264.369 2.460 20 30 CEEDHN C=CCCCC(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000856410369 644663621 /nfs/dbraw/zinc/66/36/21/644663621.db2.gz IQYVTDVJHHFWHY-OAHLLOKOSA-N 0 3 294.439 2.445 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)CC1(O)CCCC1 ZINC000877916459 650946497 /nfs/dbraw/zinc/94/64/97/650946497.db2.gz CRVXLJQISNKYEB-MRXNPFEDSA-N 0 3 288.391 2.046 20 30 CEEDHN C=CC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877918846 650947312 /nfs/dbraw/zinc/94/73/12/650947312.db2.gz WYYUMZKAXMVAMZ-GFCCVEGCSA-N 0 3 276.340 2.076 20 30 CEEDHN C=C(C)CN(CC)C[C@H](O)c1cc(Br)no1 ZINC000877935986 650952730 /nfs/dbraw/zinc/95/27/30/650952730.db2.gz PLPGBOMXSHHMJL-VIFPVBQESA-N 0 3 289.173 2.369 20 30 CEEDHN CC(C)(C(=O)NCCN1CCCC1)c1ccc(C#N)cc1 ZINC000858175814 645081791 /nfs/dbraw/zinc/08/17/91/645081791.db2.gz XCYYPNOTWIGHLK-UHFFFAOYSA-N 0 3 285.391 2.048 20 30 CEEDHN C#CC[C@H](COC)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000858334817 645122412 /nfs/dbraw/zinc/12/24/12/645122412.db2.gz GHKHOCBWPDBATH-UKRRQHHQSA-N 0 3 272.348 2.105 20 30 CEEDHN CCCCCCOCC(=O)C(C#N)c1ccncn1 ZINC000760335325 645141459 /nfs/dbraw/zinc/14/14/59/645141459.db2.gz UDSIVRUUQFZTIK-GFCCVEGCSA-N 0 3 261.325 2.250 20 30 CEEDHN C=CC[C@H](C)[C@H](C)NC(c1ccnn1C)c1ccnn1C ZINC000858581437 645210191 /nfs/dbraw/zinc/21/01/91/645210191.db2.gz IZULMCQKRNAMDW-STQMWFEESA-N 0 3 287.411 2.433 20 30 CEEDHN Fc1ccc(C=NNc2ccc(-n3ccnc3)nn2)cc1 ZINC000761855886 645325702 /nfs/dbraw/zinc/32/57/02/645325702.db2.gz UKGRXQOEQKLTPR-UHFFFAOYSA-N 0 3 282.282 2.247 20 30 CEEDHN C#CCCOC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000859065954 645343851 /nfs/dbraw/zinc/34/38/51/645343851.db2.gz ZXJFXYGSCGLWPI-MRXNPFEDSA-N 0 3 286.375 2.353 20 30 CEEDHN N#CC(C(=O)[C@H]1CCSC1)c1nc2ccccc2[nH]1 ZINC000762063407 645359397 /nfs/dbraw/zinc/35/93/97/645359397.db2.gz CWEJIIRLMHHSDQ-VHSXEESVSA-N 0 3 271.345 2.492 20 30 CEEDHN C#CCCOC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000859154305 645391568 /nfs/dbraw/zinc/39/15/68/645391568.db2.gz BTLXJHLGZWNSDQ-QWHCGFSZSA-N 0 3 278.352 2.458 20 30 CEEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CC1)c1cccc(F)c1 ZINC000116592752 645395331 /nfs/dbraw/zinc/39/53/31/645395331.db2.gz YJGVZTSWNRKQJQ-IINYFYTJSA-N 0 3 288.322 2.307 20 30 CEEDHN OC[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000763069310 645499697 /nfs/dbraw/zinc/49/96/97/645499697.db2.gz NRGPJWVLROYIIW-CQSZACIVSA-N 0 3 283.293 2.417 20 30 CEEDHN c1ccc(-c2noc(N=NC3CCN4CCC[C@H]34)n2)cc1 ZINC000765572296 645785882 /nfs/dbraw/zinc/78/58/82/645785882.db2.gz PCMMBIAFJJUEQX-CYBMUJFWSA-N 0 3 283.335 2.373 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1coc2ccc(C)cc12 ZINC000861838863 646278460 /nfs/dbraw/zinc/27/84/60/646278460.db2.gz PYSHEKMSOLBUPM-UHFFFAOYSA-N 0 3 298.386 2.355 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc2c(cccc2CC)[nH]1 ZINC000861838275 646279259 /nfs/dbraw/zinc/27/92/59/646279259.db2.gz XIZAPRHJSCLQRX-UHFFFAOYSA-N 0 3 297.402 2.415 20 30 CEEDHN CCN(C(=O)c1cc(C#N)oc1C)C1CCN(C)CC1 ZINC000861892125 646294450 /nfs/dbraw/zinc/29/44/50/646294450.db2.gz BTNBJSAFRDWMJX-UHFFFAOYSA-N 0 3 275.352 2.016 20 30 CEEDHN COc1ccsc1C(C)=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000769799935 646318227 /nfs/dbraw/zinc/31/82/27/646318227.db2.gz PVAZHXRRXFZDFB-PHIMTYICSA-N 0 3 292.408 2.341 20 30 CEEDHN C#C[C@@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000769977286 646341776 /nfs/dbraw/zinc/34/17/76/646341776.db2.gz DLYSDYPHDPJOBO-VXGBXAGGSA-N 0 3 297.383 2.426 20 30 CEEDHN C#CC[C@@H]1CCN(Cc2nn(C)c3ccccc23)C1 ZINC000862444668 646461603 /nfs/dbraw/zinc/46/16/03/646461603.db2.gz FMEDDUSEDXZBBQ-CYBMUJFWSA-N 0 3 253.349 2.419 20 30 CEEDHN c1cc2c(ncnc2N=NC2CN3C[C@@H]2CCC3)s1 ZINC000863074568 646630548 /nfs/dbraw/zinc/63/05/48/646630548.db2.gz DQHPDVKEZPCBSE-VIFPVBQESA-N 0 3 273.365 2.185 20 30 CEEDHN CCc1[nH]nc(Cl)c1C=NNc1ccnc(C)c1 ZINC000863161168 646659371 /nfs/dbraw/zinc/65/93/71/646659371.db2.gz YEEQFNFANDTCRF-UHFFFAOYSA-N 0 3 263.732 2.197 20 30 CEEDHN N#Cc1ccc(CNC[C@@H]2NCCc3ccccc32)o1 ZINC000863641555 646775232 /nfs/dbraw/zinc/77/52/32/646775232.db2.gz HBLAPYPEYAQMSI-INIZCTEOSA-N 0 3 267.332 2.128 20 30 CEEDHN C=CCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000119600062 646792174 /nfs/dbraw/zinc/79/21/74/646792174.db2.gz SFBXGRLWGLTVRQ-OCCSQVGLSA-N 0 3 286.331 2.315 20 30 CEEDHN CCN1[C@H](C)CN(c2cc(C#N)nc(C3CC3)n2)C[C@@H]1C ZINC000864092753 646898947 /nfs/dbraw/zinc/89/89/47/646898947.db2.gz WMBKVWODGSFGGT-TXEJJXNPSA-N 0 3 285.395 2.145 20 30 CEEDHN C=CCC[C@@H](NCC(=O)N(C)OC)c1ccccc1 ZINC000775464044 646957102 /nfs/dbraw/zinc/95/71/02/646957102.db2.gz PUGSCJVACDNLST-CQSZACIVSA-N 0 3 262.353 2.303 20 30 CEEDHN C#C[C@H](N[C@H](C)c1cc(OC)ccc1O)[C@@H]1CCCO1 ZINC000775572459 646967142 /nfs/dbraw/zinc/96/71/42/646967142.db2.gz AUKWDTDYJJOWKK-WPGHFRTFSA-N 0 3 275.348 2.232 20 30 CEEDHN C#C[C@@H](NCCC(=O)Nc1ccccc1C)[C@H]1CCCO1 ZINC000775789221 646992179 /nfs/dbraw/zinc/99/21/79/646992179.db2.gz LGULULRWCCBVRT-GDBMZVCRSA-N 0 3 286.375 2.094 20 30 CEEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000864955185 647139620 /nfs/dbraw/zinc/13/96/20/647139620.db2.gz GYMPBZNJFRWWDR-CYBMUJFWSA-N 0 3 250.386 2.333 20 30 CEEDHN COC[C@@H](C)NN=C1CCCC[C@H]1N1CCCCC1 ZINC000777890454 647186598 /nfs/dbraw/zinc/18/65/98/647186598.db2.gz CAARXMCZOMIILS-UKRRQHHQSA-N 0 3 267.417 2.395 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(C=O)cc2)CC1 ZINC000865193678 647202183 /nfs/dbraw/zinc/20/21/83/647202183.db2.gz NLXZSPQRALVZMG-BQYQJAHWSA-N 0 3 298.386 2.279 20 30 CEEDHN CC(=NNCCOC(C)C)c1ccc(N(C)C)cc1 ZINC000778550117 647241535 /nfs/dbraw/zinc/24/15/35/647241535.db2.gz KABHIYITAMWVJD-UHFFFAOYSA-N 0 3 263.385 2.491 20 30 CEEDHN C[C@H](CCO)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000779413351 647320851 /nfs/dbraw/zinc/32/08/51/647320851.db2.gz RPVVZDJBCQFQRX-LLVKDONJSA-N 0 3 271.282 2.417 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN[C@@H]1C[C@H](O)C12CCC2 ZINC000865629665 647396410 /nfs/dbraw/zinc/39/64/10/647396410.db2.gz MCWXATSYJFEJAG-CVEARBPZSA-N 0 3 285.391 2.017 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3[C@@H]4CCCO[C@H]34)nc21 ZINC000780382379 647423235 /nfs/dbraw/zinc/42/32/35/647423235.db2.gz WKKDXRSZIMFXBR-DZJQYVJYSA-N 0 3 295.342 2.473 20 30 CEEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3[C@@H]4CCCO[C@H]34)[nH]c21 ZINC000780382379 647423236 /nfs/dbraw/zinc/42/32/36/647423236.db2.gz WKKDXRSZIMFXBR-DZJQYVJYSA-N 0 3 295.342 2.473 20 30 CEEDHN CCCCCCN(C)CC(=O)NCc1ccc(C#N)cn1 ZINC000782018796 647580566 /nfs/dbraw/zinc/58/05/66/647580566.db2.gz PNBWZTGGDVMUQB-UHFFFAOYSA-N 0 3 288.395 2.082 20 30 CEEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000783292914 647707255 /nfs/dbraw/zinc/70/72/55/647707255.db2.gz DPOLWKLGYGNTQV-KBPBESRZSA-N 0 3 259.353 2.246 20 30 CEEDHN C[C@@H]1C[C@@H](C(=O)C(C#N)C(=O)Nc2ccccc2)CCC1=O ZINC000783349257 647709743 /nfs/dbraw/zinc/70/97/43/647709743.db2.gz DRVXSMFSJVOJMC-DYEKYZERSA-N 0 3 298.342 2.339 20 30 CEEDHN C=CCNC(=O)CN[C@H]1c2cc(F)ccc2CC[C@H]1C ZINC000866327208 647738346 /nfs/dbraw/zinc/73/83/46/647738346.db2.gz XGDXRLFYSYANGJ-BDJLRTHQSA-N 0 3 276.355 2.341 20 30 CEEDHN C[C@@H](C#N)OCCN1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000805749068 647741652 /nfs/dbraw/zinc/74/16/52/647741652.db2.gz JMEXMBDDEUSYAU-VNHYZAJKSA-N 0 3 259.353 2.393 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2cc3c([nH]c2=O)CCCC3)C1 ZINC000866642995 647853120 /nfs/dbraw/zinc/85/31/20/647853120.db2.gz QKKHNPURWKQBNT-FZMZJTMJSA-N 0 3 271.364 2.448 20 30 CEEDHN N#Cc1ccc(CNCc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000784618226 647869707 /nfs/dbraw/zinc/86/97/07/647869707.db2.gz OVVTZXBKRDGDGR-UHFFFAOYSA-N 0 3 278.315 2.430 20 30 CEEDHN CC#CCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000785716913 647950161 /nfs/dbraw/zinc/95/01/61/647950161.db2.gz NBSXYVKJTYVIEA-UHFFFAOYSA-N 0 3 257.333 2.463 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC1([C@H]2CCCCO2)CCC1 ZINC000868047802 648033712 /nfs/dbraw/zinc/03/37/12/648033712.db2.gz RBIVRPSLNUUTAX-ZIAGYGMSSA-N 0 3 293.411 2.006 20 30 CEEDHN Cc1sccc1CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000786933155 648058222 /nfs/dbraw/zinc/05/82/22/648058222.db2.gz ABBCNPSPBVWRSS-ZDUSSCGKSA-N 0 3 290.388 2.367 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC[C@H]2CCSC2)CC1 ZINC000868284466 648089460 /nfs/dbraw/zinc/08/94/60/648089460.db2.gz VIZSCXVLSUVDJC-ZDUSSCGKSA-N 0 3 297.468 2.079 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@H](C(=O)OCC)C2)cc1 ZINC000787769237 648137832 /nfs/dbraw/zinc/13/78/32/648137832.db2.gz DAHSXLFITWJMIG-INIZCTEOSA-N 0 3 271.360 2.443 20 30 CEEDHN CC(=NN[C@H](CO)c1ccccc1)c1ccc(N)cc1 ZINC000788462419 648190415 /nfs/dbraw/zinc/19/04/15/648190415.db2.gz XGNFJTDVJAZVIA-MRXNPFEDSA-N 0 3 269.348 2.316 20 30 CEEDHN Cn1ccnc1NN=C1CCCOc2ccccc21 ZINC000790299544 648403058 /nfs/dbraw/zinc/40/30/58/648403058.db2.gz FCWDXBCQKOTZQM-UHFFFAOYSA-N 0 3 256.309 2.409 20 30 CEEDHN C=C(CN(C)C)C(=O)N(C[C@H]1CCC[C@@H](C)C1)OC ZINC000794330377 648854923 /nfs/dbraw/zinc/85/49/23/648854923.db2.gz OTCQVZROEBJPLZ-OCCSQVGLSA-N 0 3 268.401 2.321 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C)CC2CCC2)CC1 ZINC000871086364 648998573 /nfs/dbraw/zinc/99/85/73/648998573.db2.gz DYVRLOCMYFULHV-CYBMUJFWSA-N 0 3 262.397 2.027 20 30 CEEDHN N#CCC[C@@H](C#N)CNC[C@@H]1C[C@H]1C1CCOCC1 ZINC000871922308 649216999 /nfs/dbraw/zinc/21/69/99/649216999.db2.gz WYXNXALIEFGVQN-QEJZJMRPSA-N 0 3 261.369 2.082 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)CC(C)(C)O ZINC000871975187 649234256 /nfs/dbraw/zinc/23/42/56/649234256.db2.gz GWZLRSFCTHMUSC-OAHLLOKOSA-N 0 3 293.407 2.205 20 30 CEEDHN CONC(=O)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000872098292 649272970 /nfs/dbraw/zinc/27/29/70/649272970.db2.gz COWZMXJVQCNTOD-GFCCVEGCSA-N 0 3 287.363 2.009 20 30 CEEDHN C=CC[C@@H](CO)CNCc1c(F)cccc1OCC ZINC000873101480 649558967 /nfs/dbraw/zinc/55/89/67/649558967.db2.gz VIWJIVNMQNHTGM-GFCCVEGCSA-N 0 3 267.344 2.499 20 30 CEEDHN N#Cc1ccc(COC(=O)C2CCN(C3CC3)CC2)o1 ZINC000873389899 649664260 /nfs/dbraw/zinc/66/42/60/649664260.db2.gz NGECORGMUKTTGI-UHFFFAOYSA-N 0 3 274.320 2.069 20 30 CEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(C#N)ccc1F ZINC000874826282 649842945 /nfs/dbraw/zinc/84/29/45/649842945.db2.gz NGPQAKMDVAMACD-HUUCEWRRSA-N 0 3 287.338 2.006 20 30 CEEDHN C#CCCCCCN1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000878490098 651111209 /nfs/dbraw/zinc/11/12/09/651111209.db2.gz CJFVXUXZLKVMOF-RRFJBIMHSA-N 0 3 263.381 2.454 20 30 CEEDHN C#CCCN(CCOC)Cc1c(C)cc(C)nc1C ZINC000878999380 651225930 /nfs/dbraw/zinc/22/59/30/651225930.db2.gz MLFUMTUBMRJIDX-UHFFFAOYSA-N 0 3 260.381 2.479 20 30 CEEDHN Cc1cccc(C[C@]2(C)CCCN2CC(=O)NCCC#N)c1 ZINC000879388222 651296547 /nfs/dbraw/zinc/29/65/47/651296547.db2.gz NMAYAYFPWDBCKA-SFHVURJKSA-N 0 3 299.418 2.422 20 30 CEEDHN C[C@@H](NCCOCCC#N)c1cc2cnccc2o1 ZINC000879714528 651342974 /nfs/dbraw/zinc/34/29/74/651342974.db2.gz IWZQZIPKIIKPDR-LLVKDONJSA-N 0 3 259.309 2.409 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@]2(CCc3ccccc32)C1 ZINC000879994529 651370410 /nfs/dbraw/zinc/37/04/10/651370410.db2.gz HCNJMKUZXLUHKW-RDTXWAMCSA-N 0 3 284.403 2.267 20 30 CEEDHN N#Cc1ccsc1NC(=O)CCN1CCC(F)CC1 ZINC000880242086 651407798 /nfs/dbraw/zinc/40/77/98/651407798.db2.gz OOTYBFMKMNJNCX-UHFFFAOYSA-N 0 3 281.356 2.382 20 30 CEEDHN C=CCCn1cc(CN[C@@H](CC)[C@H]2CCCOC2)nn1 ZINC000880468819 651446413 /nfs/dbraw/zinc/44/64/13/651446413.db2.gz CCHNXLPVEOZRLK-ZFWWWQNUSA-N 0 3 278.400 2.149 20 30 CEEDHN C#CCC1(O)CCN(CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000880483026 651448058 /nfs/dbraw/zinc/44/80/58/651448058.db2.gz ZBTBNTHXXJVGCZ-LLVKDONJSA-N 0 3 276.207 2.421 20 30 CEEDHN CN1CCC[C@H]1CNC(=O)Nc1cc(C#N)c(F)cc1F ZINC000880709734 651488324 /nfs/dbraw/zinc/48/83/24/651488324.db2.gz ZSRNEPJHELUKOT-JTQLQIEISA-N 0 3 294.305 2.052 20 30 CEEDHN Cc1nc(C#N)cc(N2CCN(C)C3(CCCCC3)C2)n1 ZINC000882412967 652062651 /nfs/dbraw/zinc/06/26/51/652062651.db2.gz XYAXIGRZHUQRHH-UHFFFAOYSA-N 0 3 285.395 2.111 20 30 CEEDHN CCN1CC[C@H]1CNc1cc(C)c([N+](=O)[O-])c(C#N)c1 ZINC000882958555 652288314 /nfs/dbraw/zinc/28/83/14/652288314.db2.gz DEAZHUQKUHTOGQ-ZDUSSCGKSA-N 0 3 274.324 2.281 20 30 CEEDHN C#CC[C@H](CO)NCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000883125856 652370712 /nfs/dbraw/zinc/37/07/12/652370712.db2.gz XHFJHGHJEZMBCH-LLVKDONJSA-N 0 3 295.404 2.177 20 30 CEEDHN C=CCC[C@H](Cc1ccccc1)NCc1cn(C)nn1 ZINC000883215519 652402333 /nfs/dbraw/zinc/40/23/33/652402333.db2.gz AQXMVYBXFMGLNF-OAHLLOKOSA-N 0 3 270.380 2.482 20 30 CEEDHN CCN1CC[C@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000883355334 652439798 /nfs/dbraw/zinc/43/97/98/652439798.db2.gz ONWSISOWQQPNIM-YPMHNXCESA-N 0 3 261.344 2.442 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1ccc(Br)cn1 ZINC000883400900 652456696 /nfs/dbraw/zinc/45/66/96/652456696.db2.gz XWEYZMCKSYWALQ-GFCCVEGCSA-N 0 3 285.185 2.261 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cnc([C@@H]2CCCO2)s1 ZINC000883400627 652456772 /nfs/dbraw/zinc/45/67/72/652456772.db2.gz REZLOKBZNSRJQX-YPMHNXCESA-N 0 3 282.409 2.411 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1ccc(OC)c(OC)c1OC ZINC000883401226 652457205 /nfs/dbraw/zinc/45/72/05/652457205.db2.gz GVPBSLQFWRHETM-ZDUSSCGKSA-N 0 3 295.379 2.129 20 30 CEEDHN CC(C)CCC[C@@H](C)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884046375 652657220 /nfs/dbraw/zinc/65/72/20/652657220.db2.gz BPWAEEYNEVVWJK-GJEMEMOUSA-N 0 3 291.439 2.457 20 30 CEEDHN CCCCC[C@H](C)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884047454 652658516 /nfs/dbraw/zinc/65/85/16/652658516.db2.gz VAGACOWKXMBVSW-REWIBIJMSA-N 0 3 277.412 2.211 20 30 CEEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1cc(F)cc(F)c1)C2 ZINC000884063025 652685524 /nfs/dbraw/zinc/68/55/24/652685524.db2.gz KLRNKWYFOMHINF-VOZQYIJBSA-N 0 3 291.301 2.043 20 30 CEEDHN C=CCCCCCN(C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884143548 652726505 /nfs/dbraw/zinc/72/65/05/652726505.db2.gz KRQJOFIUFBSYAA-ISXOHVOVSA-N 0 3 289.423 2.331 20 30 CEEDHN CC(C)C1CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC000884156985 652733045 /nfs/dbraw/zinc/73/30/45/652733045.db2.gz QGYKMGQMRWURTQ-ISXOHVOVSA-N 0 3 289.423 2.020 20 30 CEEDHN C[C@@H]1CCCC[C@H]1N(C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884307183 652789968 /nfs/dbraw/zinc/78/99/68/652789968.db2.gz AXWHHRDCVMMMHL-RJZXRHAOSA-N 0 3 289.423 2.163 20 30 CEEDHN CCC(C)(C)[C@H](C)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884400812 652834825 /nfs/dbraw/zinc/83/48/25/652834825.db2.gz VBMHJVVQKLXAPB-AJAZOQAWSA-N 0 3 277.412 2.067 20 30 CEEDHN C#CCN1CCC(C)(CNC(=O)C[C@H](C=C)CC)CC1 ZINC001270899500 805667784 /nfs/dbraw/zinc/66/77/84/805667784.db2.gz OTTGGITURYKHEL-OAHLLOKOSA-N 0 3 276.424 2.440 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ncccc2C)[C@H]1CC ZINC001087530686 805682169 /nfs/dbraw/zinc/68/21/69/805682169.db2.gz MUZZDDMLYVHOHN-UONOGXRCSA-N 0 3 273.380 2.159 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3[nH]ccc3c2)[C@H]1CC ZINC001087613127 805760858 /nfs/dbraw/zinc/76/08/58/805760858.db2.gz YIOYEUMXIOKNGJ-LSDHHAIUSA-N 0 3 298.390 2.283 20 30 CEEDHN C#CC1CCN(Cc2ccc(COC(C)=O)o2)CC1 ZINC001141791814 805812379 /nfs/dbraw/zinc/81/23/79/805812379.db2.gz GNZGQKXEUWWKHT-UHFFFAOYSA-N 0 3 261.321 2.188 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C1 ZINC001087871586 805829014 /nfs/dbraw/zinc/82/90/14/805829014.db2.gz PEORRQNRMPSQJW-SJORKVTESA-N 0 3 296.414 2.412 20 30 CEEDHN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001029464650 805859679 /nfs/dbraw/zinc/85/96/79/805859679.db2.gz DBNRNEKPVJJULH-GASCZTMLSA-N 0 3 274.408 2.428 20 30 CEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)C2(CCC)CCC2)C1 ZINC001271173867 805882740 /nfs/dbraw/zinc/88/27/40/805882740.db2.gz DVGFCFHLMPBZDM-QGZVFWFLSA-N 0 3 294.439 2.086 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@H]3CC=CCC3)C2)C1 ZINC001040062795 805888517 /nfs/dbraw/zinc/88/85/17/805888517.db2.gz GQPGKLXJHVHZSF-FUHWJXTLSA-N 0 3 286.419 2.290 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CCN(CC#CC)C[C@H]2C1 ZINC001088092960 805926713 /nfs/dbraw/zinc/92/67/13/805926713.db2.gz DJZWFULKDSDIAF-SOLBZPMBSA-N 0 3 288.435 2.392 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)COCCCC ZINC001272016369 806277195 /nfs/dbraw/zinc/27/71/95/806277195.db2.gz QVQVBQMQFXOSDO-GJZGRUSLSA-N 0 3 280.412 2.054 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C2C=CC=CC=C2)[C@H]1C ZINC001088597637 806500352 /nfs/dbraw/zinc/50/03/52/806500352.db2.gz PEVJRPYAIGVVPX-HIFRSBDPSA-N 0 3 258.365 2.050 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)COc1c(C)cccc1C ZINC001272165438 806567478 /nfs/dbraw/zinc/56/74/78/806567478.db2.gz VTJFADPSPPHHPN-UHFFFAOYSA-N 0 3 290.407 2.258 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)[C@H](C)Cc1ccccc1 ZINC001272178474 806569817 /nfs/dbraw/zinc/56/98/17/806569817.db2.gz KIGJQNJSYFKQLP-OAHLLOKOSA-N 0 3 274.408 2.441 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)C2CCC2)[C@H]1C ZINC001088653837 806582163 /nfs/dbraw/zinc/58/21/63/806582163.db2.gz KQLFRPINWLSVQP-BZPMIXESSA-N 0 3 250.386 2.188 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)CC2CC(OCC)C2)[C@H]1C ZINC001088809904 806742708 /nfs/dbraw/zinc/74/27/08/806742708.db2.gz SUJHJZXEXZUOFL-LMPOIIKSSA-N 0 3 294.439 2.347 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cc4n(c3)CCCC4)[C@@H]2C1 ZINC001076646370 806866379 /nfs/dbraw/zinc/86/63/79/806866379.db2.gz DQNADUDHYRDYQJ-WMLDXEAASA-N 0 3 299.418 2.157 20 30 CEEDHN Cc1ccc(CCC(=O)C(C#N)C(=O)NC2CC2)c(C)c1 ZINC000129301582 806977896 /nfs/dbraw/zinc/97/78/96/806977896.db2.gz XBFVUTRYACBYMV-HNNXBMFYSA-N 0 3 284.359 2.224 20 30 CEEDHN N#Cc1cccc(CNCCNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC001125286410 802364653 /nfs/dbraw/zinc/36/46/53/802364653.db2.gz PEQHHGQXGCTINV-FVQHAEBGSA-N 0 3 297.402 2.200 20 30 CEEDHN C=CCN(C)CCNC(=O)C[C@@H](C)c1ccco1 ZINC001266350456 802475968 /nfs/dbraw/zinc/47/59/68/802475968.db2.gz MTGJENGSLXVZHW-GFCCVEGCSA-N 0 3 250.342 2.007 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1ccc(COC)c(F)c1 ZINC001266352167 802478479 /nfs/dbraw/zinc/47/84/79/802478479.db2.gz OTWQVYIUJGLIRM-UHFFFAOYSA-N 0 3 294.370 2.210 20 30 CEEDHN C=CCCCCN1C[C@H](NC(=O)OC(C)(C)C)C[C@H](O)C1 ZINC001209200137 802482865 /nfs/dbraw/zinc/48/28/65/802482865.db2.gz CBJBRMCWKXUYSK-KGLIPLIRSA-N 0 3 298.427 2.303 20 30 CEEDHN C=CCN(C)CCNC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001266359954 802488150 /nfs/dbraw/zinc/48/81/50/802488150.db2.gz LOCPQGBWTAUJTJ-LLVKDONJSA-N 0 3 282.334 2.302 20 30 CEEDHN N#Cc1ccc2c(c1)CN(CCCC1OCCO1)CC2 ZINC001209302645 802495256 /nfs/dbraw/zinc/49/52/56/802495256.db2.gz ADJQIAIETKFUOG-UHFFFAOYSA-N 0 3 272.348 2.069 20 30 CEEDHN CC[C@@H](F)CN(C)C[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001266456375 802609249 /nfs/dbraw/zinc/60/92/49/802609249.db2.gz VINIKOWCCMAYJG-JKSUJKDBSA-N 0 3 294.414 2.318 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccnc(C)c2)C1 ZINC001034452860 809611707 /nfs/dbraw/zinc/61/17/07/809611707.db2.gz DTSRZZHOEOQCQL-HNNXBMFYSA-N 0 3 273.380 2.160 20 30 CEEDHN CN1CC[C@H](Nc2cnc(C#N)c(C(F)(F)F)c2)C1 ZINC001167278903 802626190 /nfs/dbraw/zinc/62/61/90/802626190.db2.gz XKUMASRBHXQXAZ-QMMMGPOBSA-N 0 3 270.258 2.088 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)C(C)(C)c2ccccc2C)C1 ZINC001266550819 802706215 /nfs/dbraw/zinc/70/62/15/802706215.db2.gz DQIIBFKNRZANNV-INIZCTEOSA-N 0 3 298.430 2.344 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2ccccn2)C1 ZINC001266704117 802851931 /nfs/dbraw/zinc/85/19/31/802851931.db2.gz WTQIBZXCVMHDNM-OKILXGFUSA-N 0 3 273.380 2.031 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cccn3nccc23)C1 ZINC001046445407 811755077 /nfs/dbraw/zinc/75/50/77/811755077.db2.gz DKTWRZXRFNPFPP-QGZVFWFLSA-N 0 3 298.390 2.105 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3CCCC3)C[C@@H]21 ZINC001041891922 802920895 /nfs/dbraw/zinc/92/08/95/802920895.db2.gz UOZYNKJXMUQJNG-ZBFHGGJFSA-N 0 3 274.408 2.123 20 30 CEEDHN CN(CCN(C)C(=O)C(C)(C)C#N)Cc1ccccc1 ZINC001143399398 802928962 /nfs/dbraw/zinc/92/89/62/802928962.db2.gz PBFCQMVCKROQCP-UHFFFAOYSA-N 0 3 273.380 2.127 20 30 CEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CC1(OC)CCC1 ZINC001266839489 802932196 /nfs/dbraw/zinc/93/21/96/802932196.db2.gz BOUWQKYXKBCKHJ-HNNXBMFYSA-N 0 3 294.439 2.492 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)CSCCC ZINC001279539021 802989451 /nfs/dbraw/zinc/98/94/51/802989451.db2.gz BJCRYHLLGLERKF-KGLIPLIRSA-N 0 3 282.453 2.381 20 30 CEEDHN C=CCN1CCC2(CC1)CN(C(=O)CC(C)C)C[C@H](C)O2 ZINC001098558280 803014585 /nfs/dbraw/zinc/01/45/85/803014585.db2.gz XCYOUZUEMUWIRX-HNNXBMFYSA-N 0 3 294.439 2.300 20 30 CEEDHN C#Cc1ccccc1CC(=O)NC[C@@H](C)NC[C@H](F)CC ZINC001266990714 803040451 /nfs/dbraw/zinc/04/04/51/803040451.db2.gz VBOLVAYWKQDHJW-CZUORRHYSA-N 0 3 290.382 2.053 20 30 CEEDHN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1cnc(C)o1 ZINC001133884328 813169401 /nfs/dbraw/zinc/16/94/01/813169401.db2.gz NUVSIURQIUFLKD-NWDGAFQWSA-N 0 3 279.384 2.322 20 30 CEEDHN C=C(C)CCC(=O)NCC[C@H](C)N[C@H](C)c1cnccn1 ZINC001267132267 803153104 /nfs/dbraw/zinc/15/31/04/803153104.db2.gz XWFSUYQOQIJMAK-UONOGXRCSA-N 0 3 290.411 2.378 20 30 CEEDHN CC#CCNCCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001134785858 813326789 /nfs/dbraw/zinc/32/67/89/813326789.db2.gz FYAUKXOTNJAJCU-BBRMVZONSA-N 0 3 264.413 2.178 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](C)c1cccnc1 ZINC001167588745 803168276 /nfs/dbraw/zinc/16/82/76/803168276.db2.gz ZLSOBZQZGKFBKC-GFCCVEGCSA-N 0 3 295.814 2.424 20 30 CEEDHN CC(C)C#CC(=O)NCCN(C)Cc1ccc2cc[nH]c2c1 ZINC001267194651 803219054 /nfs/dbraw/zinc/21/90/54/803219054.db2.gz BRDQQQHAJKSWPS-UHFFFAOYSA-N 0 3 297.402 2.375 20 30 CEEDHN C=CCOCCN(C)CCNC(=O)c1cc(C)sc1C ZINC001267206305 803232032 /nfs/dbraw/zinc/23/20/32/803232032.db2.gz VKDSLLMRWFCYPQ-UHFFFAOYSA-N 0 3 296.436 2.229 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1coc(C2CCC2)n1 ZINC001267225618 803253182 /nfs/dbraw/zinc/25/31/82/803253182.db2.gz ZOGBDGGDEBLCLY-UHFFFAOYSA-N 0 3 277.368 2.180 20 30 CEEDHN C#CCCN(C)CCNC(=O)c1cccc(C(F)F)c1 ZINC001267226815 803254937 /nfs/dbraw/zinc/25/49/37/803254937.db2.gz RCLZEXFDIAPKIU-UHFFFAOYSA-N 0 3 280.318 2.309 20 30 CEEDHN C=CCN(CC)CCNC(=O)[C@@H](C)C1CCCC1 ZINC001267254262 803297880 /nfs/dbraw/zinc/29/78/80/803297880.db2.gz IXLLMCNRJMBSOU-ZDUSSCGKSA-N 0 3 252.402 2.437 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)[C@@](C)(C=C)CC ZINC001267274288 803320618 /nfs/dbraw/zinc/32/06/18/803320618.db2.gz NLWXDMJBQUAMMQ-HOCLYGCPSA-N 0 3 262.397 2.193 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)c1cccnc1 ZINC001267280472 803325075 /nfs/dbraw/zinc/32/50/75/803325075.db2.gz DTXILIVWHNSFMA-GDBMZVCRSA-N 0 3 287.407 2.342 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)CC2(C)CCCC2)C1 ZINC001267293385 803337126 /nfs/dbraw/zinc/33/71/26/803337126.db2.gz RQMWGIQIHRBTAP-HNNXBMFYSA-N 0 3 276.424 2.418 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)CC2(c3ccccc3)CC2)C1 ZINC001267294210 803338656 /nfs/dbraw/zinc/33/86/56/803338656.db2.gz FCKXWJPMFWWWMV-INIZCTEOSA-N 0 3 296.414 2.180 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)C(C)(C)CC(F)(F)F)C1 ZINC001267306489 803350275 /nfs/dbraw/zinc/35/02/75/803350275.db2.gz HPDOMPZESFUXFK-NSHDSACASA-N 0 3 290.329 2.036 20 30 CEEDHN N#Cc1ccc(CCNc2ccc3[nH]c(=O)cc-3[nH]2)cc1 ZINC001167678708 803469997 /nfs/dbraw/zinc/46/99/97/803469997.db2.gz AIPHEOWHFJDXBU-UHFFFAOYSA-N 0 3 278.315 2.102 20 30 CEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)C3CCC3)C(C)(C)[C@@H]21 ZINC001087266442 803485989 /nfs/dbraw/zinc/48/59/89/803485989.db2.gz LJYINHOWBCKUIU-RBSFLKMASA-N 0 3 274.408 2.025 20 30 CEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)C3CC3)C(C)(C)[C@@H]21 ZINC001087266862 803486176 /nfs/dbraw/zinc/48/61/76/803486176.db2.gz REYLBDDUMNRGAP-RBSFLKMASA-N 0 3 274.408 2.025 20 30 CEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)C(C)(C)F)C(C)(C)[C@H]21 ZINC001087270250 803492276 /nfs/dbraw/zinc/49/22/76/803492276.db2.gz XENQIASTNNYRBK-RDBSUJKOSA-N 0 3 294.414 2.363 20 30 CEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccoc3)C(C)(C)[C@H]21 ZINC001087270760 803493007 /nfs/dbraw/zinc/49/30/07/803493007.db2.gz GHVWZMUOGMDTCX-KFWWJZLASA-N 0 3 286.375 2.132 20 30 CEEDHN CC#CCNCCN(C)C(=O)c1cnc(C(C)(C)C)s1 ZINC001267474719 803499104 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/nfs/dbraw/zinc/66/09/06/803660906.db2.gz VROMMCMDGCUEGX-UHFFFAOYSA-N 0 3 262.397 2.028 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001267727303 803679264 /nfs/dbraw/zinc/67/92/64/803679264.db2.gz AKQLQIMAOZXNLX-LSDHHAIUSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCOCCN1CC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001267750119 803708258 /nfs/dbraw/zinc/70/82/58/803708258.db2.gz XODWJICPGITUNA-LSDHHAIUSA-N 0 3 294.439 2.206 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)C(C)(C)C)C1 ZINC001267768023 803720800 /nfs/dbraw/zinc/72/08/00/803720800.db2.gz RWXFVDSOXVBKDB-KBPBESRZSA-N 0 3 264.413 2.225 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C(=O)CCc2ccccc2F)C1 ZINC001267777644 803729571 /nfs/dbraw/zinc/72/95/71/803729571.db2.gz PPAQQYZISTYOPF-OAHLLOKOSA-N 0 3 290.382 2.477 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CC[C@H]2CCCO2)C1 ZINC001267780920 803730555 /nfs/dbraw/zinc/73/05/55/803730555.db2.gz XYBKETITZVPTLI-HZPDHXFCSA-N 0 3 294.439 2.445 20 30 CEEDHN C=CCC(CC=C)C(=O)N(CC)[C@@H]1CCN(C[C@H](C)O)C1 ZINC001267787299 803734446 /nfs/dbraw/zinc/73/44/46/803734446.db2.gz ZOMWEELZHIQVFA-GOEBONIOSA-N 0 3 294.439 2.058 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)C[C@H](C)C2CC2)C1 ZINC001267794453 803738485 /nfs/dbraw/zinc/73/84/85/803738485.db2.gz OUDJJMXGWSJSMJ-HOCLYGCPSA-N 0 3 276.424 2.369 20 30 CEEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)C(=O)NC(C)(C)C ZINC000695793076 803801329 /nfs/dbraw/zinc/80/13/29/803801329.db2.gz XWIAPPUTNBPRQR-GHMZBOCLSA-N 0 3 253.390 2.208 20 30 CEEDHN C#CCCCCCC(=O)N1CCC[C@@H]1CNCCF ZINC001267960886 803851588 /nfs/dbraw/zinc/85/15/88/803851588.db2.gz PUIVYAQCDLEOLD-CQSZACIVSA-N 0 3 268.376 2.120 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)CCC3CCC3)C2)C1 ZINC001041183006 804045651 /nfs/dbraw/zinc/04/56/51/804045651.db2.gz VOCCWQXYYRRSBM-KRWDZBQOSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(F)ccc2F)C1 ZINC001027441764 804075846 /nfs/dbraw/zinc/07/58/46/804075846.db2.gz LBYGEVRYVRQNQH-CYBMUJFWSA-N 0 3 292.329 2.134 20 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290.411 2.063 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001027926085 804345155 /nfs/dbraw/zinc/34/51/55/804345155.db2.gz KEQGJGUFMCBAOK-ZDUSSCGKSA-N 0 3 273.380 2.272 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cnn2ccc(C)cc12 ZINC001027947878 804357255 /nfs/dbraw/zinc/35/72/55/804357255.db2.gz UWXXBMOCPPLPEH-CQSZACIVSA-N 0 3 298.390 2.023 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccn2ccnc2c1 ZINC001028022546 804397194 /nfs/dbraw/zinc/39/71/94/804397194.db2.gz KYSQZDJRRWFJGF-HNNXBMFYSA-N 0 3 298.390 2.105 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(CCC)n[nH]1 ZINC001028064075 804422495 /nfs/dbraw/zinc/42/24/95/804422495.db2.gz ZGPPMWNUWHOGNF-CQSZACIVSA-N 0 3 290.411 2.133 20 30 CEEDHN N#C[C@H]1CC[C@H](Nc2ccc3c(n2)OCCNC3)CC1 ZINC001167841985 804446978 /nfs/dbraw/zinc/44/69/78/804446978.db2.gz BTIAHQBFQVRILK-AULYBMBSSA-N 0 3 272.352 2.058 20 30 CEEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccncc1 ZINC000136879970 804468059 /nfs/dbraw/zinc/46/80/59/804468059.db2.gz RLHVOYABHCLGGQ-WFASDCNBSA-N 0 3 299.374 2.343 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccn(C)c1C ZINC001028124793 804480243 /nfs/dbraw/zinc/48/02/43/804480243.db2.gz VUWYJEYAJZEWDZ-CQSZACIVSA-N 0 3 275.396 2.104 20 30 CEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001268358369 804630447 /nfs/dbraw/zinc/63/04/47/804630447.db2.gz LKIBPUCKHXJKOE-UTLUCORTSA-N 0 3 280.746 2.125 20 30 CEEDHN CC#CCNCCN(CC)C(=O)c1ccccc1C ZINC001268432365 804668057 /nfs/dbraw/zinc/66/80/57/804668057.db2.gz YIAJTDAOBSLKIW-UHFFFAOYSA-N 0 3 258.365 2.070 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1c(F)cccc1F ZINC001028282778 804675942 /nfs/dbraw/zinc/67/59/42/804675942.db2.gz NLAOOUSQSDNVIB-LBPRGKRZSA-N 0 3 292.329 2.182 20 30 CEEDHN CC#CCNCCN(CC)C(=O)C[C@H]1CCC[C@H]1C ZINC001268452321 804696225 /nfs/dbraw/zinc/69/62/25/804696225.db2.gz CSGMILYCUGWSBP-HUUCEWRRSA-N 0 3 264.413 2.274 20 30 CEEDHN C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001028408221 804756358 /nfs/dbraw/zinc/75/63/58/804756358.db2.gz DJRRDTZPOPLHEF-ZDUSSCGKSA-N 0 3 274.364 2.020 20 30 CEEDHN C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001028408221 804756364 /nfs/dbraw/zinc/75/63/64/804756364.db2.gz DJRRDTZPOPLHEF-ZDUSSCGKSA-N 0 3 274.364 2.020 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)C2CCCCCC2)C1 ZINC001028444372 804768731 /nfs/dbraw/zinc/76/87/31/804768731.db2.gz YVIGWAOGCDSZGU-CQSZACIVSA-N 0 3 262.397 2.028 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2cscc2C(F)F)C1 ZINC001028543508 804835341 /nfs/dbraw/zinc/83/53/41/804835341.db2.gz PKTANJYVPNKHNG-SNVBAGLBSA-N 0 3 298.358 2.371 20 30 CEEDHN C#CCNC/C=C\CNC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC001268571625 804841488 /nfs/dbraw/zinc/84/14/88/804841488.db2.gz CTOGFACVSFLXJW-WAYWQWQTSA-N 0 3 295.386 2.294 20 30 CEEDHN CC[C@@H]1C[C@H]1C(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001268593114 804864183 /nfs/dbraw/zinc/86/41/83/804864183.db2.gz QECQUUAVYKUAQJ-MULDZMIYSA-N 0 3 297.402 2.366 20 30 CEEDHN C=CCC[C@H](C)N1CC[C@H](NC(=O)c2snnc2C)C1 ZINC001268996048 805021568 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ZINC001269301995 805119903 /nfs/dbraw/zinc/11/99/03/805119903.db2.gz PDDBDPPIRMSAPE-HUUCEWRRSA-N 0 3 294.439 2.036 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C(CC)CC)C1 ZINC001269306799 805122631 /nfs/dbraw/zinc/12/26/31/805122631.db2.gz JETXTJNUBFQEHF-OAHLLOKOSA-N 0 3 264.413 2.369 20 30 CEEDHN C#CCCCCC(=O)NCC1(NCc2cnccc2C)CC1 ZINC001269402171 805156274 /nfs/dbraw/zinc/15/62/74/805156274.db2.gz JJBIWGIPTYFTGJ-UHFFFAOYSA-N 0 3 299.418 2.322 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccn(C(C)C)c2C)C1 ZINC001028755483 805209254 /nfs/dbraw/zinc/20/92/54/805209254.db2.gz OIIFEZLMJXJSDY-HNNXBMFYSA-N 0 3 287.407 2.062 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccccc2CC)C1 ZINC001028765010 805223893 /nfs/dbraw/zinc/22/38/93/805223893.db2.gz PTNUWNXJJIJUBW-HNNXBMFYSA-N 0 3 284.403 2.324 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cccc(F)c2F)C1 ZINC001028769022 805229087 /nfs/dbraw/zinc/22/90/87/805229087.db2.gz AMGGAQYFYSRHPG-LBPRGKRZSA-N 0 3 292.329 2.040 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3csnc3C)[C@@H]2C1 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CC[C@H](C)[C@H](N[C@H]1CSc2ccccc2C1)C(=O)NO ZINC001172193662 815347175 /nfs/dbraw/zinc/34/71/75/815347175.db2.gz NTGATTADYHKZAJ-SUHUHFCYSA-N 0 3 294.420 2.213 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2sccc2C)C1 ZINC001079365623 810201028 /nfs/dbraw/zinc/20/10/28/810201028.db2.gz DDLFPAXPNQDFAP-CHWSQXEVSA-N 0 3 276.405 2.130 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001079946480 810238662 /nfs/dbraw/zinc/23/86/62/810238662.db2.gz QERDTKDDWNBRMZ-QLFBSQMISA-N 0 3 262.397 2.355 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC001080065330 810246381 /nfs/dbraw/zinc/24/63/81/810246381.db2.gz LZACBTLBERQPES-CZUORRHYSA-N 0 3 297.402 2.414 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC001080385021 810273755 /nfs/dbraw/zinc/27/37/55/810273755.db2.gz VVIWJEPBEUYBSQ-NVXWUHKLSA-N 0 3 286.419 2.468 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001080416559 810281104 /nfs/dbraw/zinc/28/11/04/810281104.db2.gz 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281.787 2.234 20 30 CEEDHN CC1/C(=C\c2ccnn2CC2CCC2)C(=O)c2ncnn21 ZINC000828330312 810804004 /nfs/dbraw/zinc/80/40/04/810804004.db2.gz GDHXYCULVYOEQV-SRMXYGTFSA-N 0 3 283.335 2.116 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1CC(F)(F)C1 ZINC001085541147 810813258 /nfs/dbraw/zinc/81/32/58/810813258.db2.gz QZMYZHKKLFZFPS-LBPRGKRZSA-N 0 3 272.339 2.141 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccsc1 ZINC001122283574 815399162 /nfs/dbraw/zinc/39/91/62/815399162.db2.gz VRPGVUDHWYLWND-PSASIEDQSA-N 0 3 258.774 2.395 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1C=CC=CC=C1 ZINC001085619307 810852241 /nfs/dbraw/zinc/85/22/41/810852241.db2.gz LJAWKHNFRQEUQB-MRXNPFEDSA-N 0 3 272.392 2.394 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cocc1C ZINC001038602686 810871851 /nfs/dbraw/zinc/87/18/51/810871851.db2.gz BFHDRMQWNZREJV-CYBMUJFWSA-N 0 3 262.353 2.358 20 30 CEEDHN CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)C(=O)N[O-] ZINC001172370100 815405836 /nfs/dbraw/zinc/40/58/36/815405836.db2.gz 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CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H](C)SC)C2)C1 ZINC001040075719 811084340 /nfs/dbraw/zinc/08/43/40/811084340.db2.gz ZFDDHLGNXFOHRM-GOEBONIOSA-N 0 3 294.464 2.076 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC001040075046 811084607 /nfs/dbraw/zinc/08/46/07/811084607.db2.gz TYSGCIRATDWSSI-KRWDZBQOSA-N 0 3 276.424 2.370 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)[C@H](OCC)C(C)C)CC1 ZINC001273417324 811086499 /nfs/dbraw/zinc/08/64/99/811086499.db2.gz GAIBGCUWNHPNQT-JKSUJKDBSA-N 0 3 294.439 2.042 20 30 CEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3cscn3)C2)C1 ZINC001040102903 811087924 /nfs/dbraw/zinc/08/79/24/811087924.db2.gz YMLKYUMTLYIHOP-HNNXBMFYSA-N 0 3 291.420 2.257 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C3=CCCC3)C2)C1 ZINC001040159335 811094370 /nfs/dbraw/zinc/09/43/70/811094370.db2.gz ZAVNHFWEKAHVBJ-KRWDZBQOSA-N 0 3 272.392 2.044 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C3(C)CC=CC3)C2)C1 ZINC001040369595 811108668 /nfs/dbraw/zinc/10/86/68/811108668.db2.gz SFINEPOHSNHIDJ-SFHVURJKSA-N 0 3 286.419 2.290 20 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ZINC001255276127 813037832 /nfs/dbraw/zinc/03/78/32/813037832.db2.gz FNUXELFJPSCULJ-LLVKDONJSA-N 0 3 257.362 2.446 20 30 CEEDHN C=C[C@](C)(CC)C(=O)NCCNCc1cccc(C#N)c1 ZINC001133378439 813042039 /nfs/dbraw/zinc/04/20/39/813042039.db2.gz FOLBYVDITNTGEA-QGZVFWFLSA-N 0 3 285.391 2.366 20 30 CEEDHN C=CCC1(C(=O)NCCNCc2cnccc2C)CCC1 ZINC001133392138 813046513 /nfs/dbraw/zinc/04/65/13/813046513.db2.gz IZNFLQILDXYWQB-UHFFFAOYSA-N 0 3 287.407 2.342 20 30 CEEDHN C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001133722926 813142408 /nfs/dbraw/zinc/14/24/08/813142408.db2.gz OIKPYOMJWNFVMS-QWHCGFSZSA-N 0 3 276.380 2.455 20 30 CEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C(C)(C)C)C[C@@H](C)O2 ZINC001071233545 813333663 /nfs/dbraw/zinc/33/36/63/813333663.db2.gz KVZJPIHIJPTVHS-RHSMWYFYSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2n[nH]c(C)c2C)CC[C@@H]1C ZINC001071392105 813388678 /nfs/dbraw/zinc/38/86/78/813388678.db2.gz RFLYYKMJUNBKSK-FZMZJTMJSA-N 0 3 290.411 2.185 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2coc(C)c2)CC[C@@H]1C ZINC001071461334 813414572 /nfs/dbraw/zinc/41/45/72/813414572.db2.gz SCONDARIUDFRGS-WFASDCNBSA-N 0 3 274.364 2.194 20 30 CEEDHN C#CCNCCNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001135505416 813447973 /nfs/dbraw/zinc/44/79/73/813447973.db2.gz VHODBGZISCWYSO-ZWKOTPCHSA-N 0 3 292.382 2.282 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ncccc2CC)CC[C@H]1C ZINC001071631558 813455797 /nfs/dbraw/zinc/45/57/97/813455797.db2.gz OGTFWLKDUHECNQ-ZBFHGGJFSA-N 0 3 299.418 2.250 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)c2ccn3cncc3c2)CC[C@H]1C ZINC001071652890 813460363 /nfs/dbraw/zinc/46/03/63/813460363.db2.gz QCMMFOLLMOJUET-HIFRSBDPSA-N 0 3 298.390 2.103 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)c(C)cn2)CC[C@H]1C ZINC001071701049 813467040 /nfs/dbraw/zinc/46/70/40/813467040.db2.gz BHJIMGKKUDDDLZ-HZPDHXFCSA-N 0 3 299.418 2.304 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2csc(C)n2)CC[C@@H]1C ZINC001071757921 813478619 /nfs/dbraw/zinc/47/86/19/813478619.db2.gz WNTKNZHJPGUXCH-WCQYABFASA-N 0 3 291.420 2.058 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2occc2CC)CC[C@H]1C ZINC001071799905 813485946 /nfs/dbraw/zinc/48/59/46/813485946.db2.gz OQWBKFPKZQRMRU-UKRRQHHQSA-N 0 3 288.391 2.448 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cc3c([nH]2)CCC3)CC[C@@H]1C ZINC001071984377 813524076 /nfs/dbraw/zinc/52/40/76/813524076.db2.gz CTXNMZFKKQOTOY-ZFWWWQNUSA-N 0 3 299.418 2.109 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cccn2CC)CC[C@H]1C ZINC001072076425 813542042 /nfs/dbraw/zinc/54/20/42/813542042.db2.gz OUYWORMFYIWBIE-HUUCEWRRSA-N 0 3 287.407 2.114 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)C1 ZINC001072754925 813651285 /nfs/dbraw/zinc/65/12/85/813651285.db2.gz KUCHCRNIKRNYHY-OWCLPIDISA-N 0 3 286.419 2.309 20 30 CEEDHN C=C1CCC(C(=O)N2CC3(C2)CCN(CC#CC)C3)CC1 ZINC001072941219 813697160 /nfs/dbraw/zinc/69/71/60/813697160.db2.gz GGPDZOCWIJNYGZ-UHFFFAOYSA-N 0 3 286.419 2.290 20 30 CEEDHN CC(C)C[C@H]([NH2+][C@@H]1CCc2cccc(F)c2C1)C(=O)N[O-] ZINC001170976173 813714390 /nfs/dbraw/zinc/71/43/90/813714390.db2.gz JLQHZLKLLKBCGK-DOMZBBRYSA-N 0 3 294.370 2.193 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3CC[C@H](C)C3)C2)C1 ZINC001073031831 813716611 /nfs/dbraw/zinc/71/66/11/813716611.db2.gz RNGQJSRLHRLYKC-UONOGXRCSA-N 0 3 262.397 2.143 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3sc(C)nc3C)C2)C1 ZINC001073413135 813749175 /nfs/dbraw/zinc/74/91/75/813749175.db2.gz REAMGVXJGJMOJQ-UHFFFAOYSA-N 0 3 291.420 2.094 20 30 CEEDHN C=CCC(C)(C)C(=O)N1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001144069196 813946025 /nfs/dbraw/zinc/94/60/25/813946025.db2.gz KYWWMUPKRRJYSV-QWHCGFSZSA-N 0 3 250.386 2.141 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2C=CC=CC=C2)C1 ZINC001098855297 813959250 /nfs/dbraw/zinc/95/92/50/813959250.db2.gz ILAJQQCBYMKGMA-HKUYNNGSSA-N 0 3 296.414 2.279 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC2CC(F)(F)C2)C1 ZINC001098908018 813962648 /nfs/dbraw/zinc/96/26/48/813962648.db2.gz TYAWVVUWMHZEPN-ZFWWWQNUSA-N 0 3 296.361 2.026 20 30 CEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)OC ZINC001098953227 813966155 /nfs/dbraw/zinc/96/61/55/813966155.db2.gz PUAWHOHVHDFLEZ-GJZGRUSLSA-N 0 3 294.439 2.042 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)c2ccco2)C[C@H]1C(F)(F)F ZINC001099203387 813993771 /nfs/dbraw/zinc/99/37/71/813993771.db2.gz JJWIDCXQYZJLMA-NXEZZACHSA-N 0 3 288.269 2.058 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1C(F)(F)F ZINC001099236918 813997637 /nfs/dbraw/zinc/99/76/37/813997637.db2.gz SDSQSOBBIMVEBA-VXGBXAGGSA-N 0 3 288.313 2.262 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C2(CCC)CCC2)[C@@H](O)C1 ZINC001099962151 814047070 /nfs/dbraw/zinc/04/70/70/814047070.db2.gz KFJOMHUTTHZPFS-GJZGRUSLSA-N 0 3 294.439 2.084 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cn(C)cn1 ZINC001171175396 814055208 /nfs/dbraw/zinc/05/52/08/814055208.db2.gz KCOADIFLCOYTLU-GFCCVEGCSA-N 0 3 254.337 2.013 20 30 CEEDHN Cc1cc(CN)nn1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171178624 814062173 /nfs/dbraw/zinc/06/21/73/814062173.db2.gz IINRBYXKMNCTED-NSHDSACASA-N 0 3 254.337 2.326 20 30 CEEDHN C=CCCC(=O)NCC1CC(NCc2conc2CC)C1 ZINC001100171916 814069188 /nfs/dbraw/zinc/06/91/88/814069188.db2.gz PQWORPVVWWYZHF-UHFFFAOYSA-N 0 3 291.395 2.188 20 30 CEEDHN CC(C)(C)C#CC(=O)NCC1CC(NCc2ccccn2)C1 ZINC001100317045 814097882 /nfs/dbraw/zinc/09/78/82/814097882.db2.gz BCKOYTIIHGZSHX-UHFFFAOYSA-N 0 3 299.418 2.116 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)NC[C@@H](F)C(C)(C)O ZINC001171201749 814127776 /nfs/dbraw/zinc/12/77/76/814127776.db2.gz QPARLZQEOLCPRE-SMDDNHRTSA-N 0 3 264.344 2.188 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cc2n(n1)CCCO2 ZINC001171202218 814128570 /nfs/dbraw/zinc/12/85/70/814128570.db2.gz AAFHWRTZRSZVAJ-CYBMUJFWSA-N 0 3 296.374 2.258 20 30 CEEDHN C[C@@H]1C[C@H]1C(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100571618 814149968 /nfs/dbraw/zinc/14/99/68/814149968.db2.gz NZLANHVTRAHODQ-AGERRDQYSA-N 0 3 296.414 2.179 20 30 CEEDHN C=CCCCC(=O)NCC1CC(NCc2ccns2)C1 ZINC001100623235 814160792 /nfs/dbraw/zinc/16/07/92/814160792.db2.gz DWIDUYUECOOYSF-UHFFFAOYSA-N 0 3 293.436 2.484 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccsc3)C[C@]2(C)C1 ZINC001091466050 814248095 /nfs/dbraw/zinc/24/80/95/814248095.db2.gz ZVUIGTVCTIDDPO-ZBFHGGJFSA-N 0 3 288.416 2.165 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H]3CC=CCC3)C[C@]2(C)C1 ZINC001091474357 814249905 /nfs/dbraw/zinc/24/99/05/814249905.db2.gz OFTRWQWPHMEFBT-JZXOWHBKSA-N 0 3 286.419 2.146 20 30 CEEDHN C=CCC(C)(C)C(=O)N1C[C@H]2CN(CC#CC)C[C@@]2(C)C1 ZINC001101376506 814253664 /nfs/dbraw/zinc/25/36/64/814253664.db2.gz FCYRYUVGCZEUII-QAPCUYQASA-N 0 3 288.435 2.392 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101384809 814254783 /nfs/dbraw/zinc/25/47/83/814254783.db2.gz SWZSCKUWDPCTTF-RKVPGOIHSA-N 0 3 290.451 2.472 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](CC)CCC)C[C@]2(C)C1 ZINC001101408160 814256496 /nfs/dbraw/zinc/25/64/96/814256496.db2.gz OYVDQCMLORXHTR-UXLLHSPISA-N 0 3 276.424 2.226 20 30 CEEDHN C=CCCC(=O)NC[C@@H]1CN(Cc2conc2C)C[C@H]1C ZINC001101805693 814315692 /nfs/dbraw/zinc/31/56/92/814315692.db2.gz ZYKSFXFTPFTSJP-TZMCWYRMSA-N 0 3 291.395 2.133 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC(C)C)C1 ZINC001111573341 814586533 /nfs/dbraw/zinc/58/65/33/814586533.db2.gz GRAKBWCIRLOOMV-HOCLYGCPSA-N 0 3 262.397 2.027 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)COC2CCCC2)C1 ZINC001111622334 814589906 /nfs/dbraw/zinc/58/99/06/814589906.db2.gz IFOMFLYOHXUVBS-YOEHRIQHSA-N 0 3 292.423 2.102 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)/C(C)=C\C)C2)CC1 ZINC001086914812 814645929 /nfs/dbraw/zinc/64/59/29/814645929.db2.gz UAAOGPLACQASEF-HWIKDYBBSA-N 0 3 274.408 2.289 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[C@H]3CC)C2)CC1 ZINC001086944257 814652710 /nfs/dbraw/zinc/65/27/10/814652710.db2.gz SXCBKVDWGIKYTQ-ARFHVFGLSA-N 0 3 288.435 2.369 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](C)C(C)C)C[C@]2(C)C1 ZINC001092067254 814689624 /nfs/dbraw/zinc/68/96/24/814689624.db2.gz MGUCADGXRLTQLH-INMHGKMJSA-N 0 3 276.424 2.082 20 30 CEEDHN C=C(C)CCNCc1cn(C)nc1Br ZINC000712482216 814749713 /nfs/dbraw/zinc/74/97/13/814749713.db2.gz LZKSTCJPSFKNGF-UHFFFAOYSA-N 0 3 258.163 2.238 20 30 CEEDHN C#C[C@H](NCCc1ccc(F)cc1F)[C@@H]1CCCO1 ZINC001116678951 814875234 /nfs/dbraw/zinc/87/52/34/814875234.db2.gz ZNCQAQYQFIZKBN-GJZGRUSLSA-N 0 3 265.303 2.278 20 30 CEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)C(C)C)CC1 ZINC001093358557 814915503 /nfs/dbraw/zinc/91/55/03/814915503.db2.gz DVGWHFZXXOAPRN-MRXNPFEDSA-N 0 3 288.435 2.369 20 30 CEEDHN N#Cc1ccnc(N[C@H]2CCN(C3CCC3)C2)c1F ZINC001161176795 815664646 /nfs/dbraw/zinc/66/46/46/815664646.db2.gz FHGLFPUHLIJRIA-NSHDSACASA-N 0 3 260.316 2.131 20 30 CEEDHN CC[C@@H]1CC[C@@H](N2CCC(C#N)(C(=O)OC)CC2)C1 ZINC001173285687 815670137 /nfs/dbraw/zinc/67/01/37/815670137.db2.gz XHQCAMCRXSEULM-CHWSQXEVSA-N 0 3 264.369 2.344 20 30 CEEDHN N#CCC1CCC(N2CCN(c3cncnc3)CC2)CC1 ZINC001173337052 815680483 /nfs/dbraw/zinc/68/04/83/815680483.db2.gz XDTJHGGVWZDHSH-UHFFFAOYSA-N 0 3 285.395 2.071 20 30 CEEDHN C=CCOC1CCC(N2C[C@@H](OC)[C@@H](F)C2)CC1 ZINC001173320107 815693469 /nfs/dbraw/zinc/69/34/69/815693469.db2.gz ANHNDMYWISABLB-CLRIEMFWSA-N 0 3 257.349 2.169 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](O)C[C@@H]2C)c1[O-] ZINC001138628325 815848690 /nfs/dbraw/zinc/84/86/90/815848690.db2.gz SEIURGYSBJDQEX-SWLSCSKDSA-N 0 3 261.365 2.466 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)c1[O-] ZINC001138628325 815848699 /nfs/dbraw/zinc/84/86/99/815848699.db2.gz SEIURGYSBJDQEX-SWLSCSKDSA-N 0 3 261.365 2.466 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccncc1F)C2 ZINC001095262290 815855350 /nfs/dbraw/zinc/85/53/50/815855350.db2.gz MHGOQRVOXAPDAY-UGFHNGPFSA-N 0 3 289.354 2.132 20 30 CEEDHN CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2 ZINC001095282966 815920968 /nfs/dbraw/zinc/92/09/68/815920968.db2.gz FZHIYMOPUXVCDS-YCPHGPKFSA-N 0 3 298.390 2.188 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCCCO1)C2 ZINC001095300960 816002398 /nfs/dbraw/zinc/00/23/98/816002398.db2.gz SBWTWNYMBNBJHI-UGUYLWEFSA-N 0 3 292.423 2.243 20 30 CEEDHN N#Cc1ccc(CN2CCC3(COC3)CC2)cc1F ZINC001139525732 816039013 /nfs/dbraw/zinc/03/90/13/816039013.db2.gz JYAQQUZVEDGPCC-UHFFFAOYSA-N 0 3 260.312 2.310 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)C[C@@H](C)[C@@H]1CCCO1 ZINC001174620201 816051928 /nfs/dbraw/zinc/05/19/28/816051928.db2.gz IFLLYMOWLYSCKS-YPMHNXCESA-N 0 3 288.819 2.040 20 30 CEEDHN CCN1C[C@@H]2C[C@H]1CN2Cc1ccc(C)c(C#N)c1 ZINC001139728640 816097676 /nfs/dbraw/zinc/09/76/76/816097676.db2.gz BNCVZZBPZYMYPQ-HOTGVXAUSA-N 0 3 255.365 2.145 20 30 CEEDHN C=CCn1cc(CN2CC[C@H]3OCCC[C@@H]3C2)cn1 ZINC001139765733 816109881 /nfs/dbraw/zinc/10/98/81/816109881.db2.gz FCVQRFLPMUOBDB-HUUCEWRRSA-N 0 3 261.369 2.070 20 30 CEEDHN C=CCN1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140466483 816263012 /nfs/dbraw/zinc/26/30/12/816263012.db2.gz HFDSOCPBRMARHD-UHFFFAOYSA-N 0 3 266.772 2.349 20 30 CEEDHN N#Cc1cc(F)ccc1CN1CC(N2CCCCC2)C1 ZINC001141167035 816495512 /nfs/dbraw/zinc/49/55/12/816495512.db2.gz VNIWTFANVFIDNR-UHFFFAOYSA-N 0 3 273.355 2.367 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(F)s1 ZINC001177355263 816553578 /nfs/dbraw/zinc/55/35/78/816553578.db2.gz OPAOENLQALJBME-UHFFFAOYSA-N 0 3 276.764 2.349 20 30 CEEDHN CCN1CCN(Cc2ccc(C#N)c(SC)n2)[C@H](C)C1 ZINC001141948501 816602913 /nfs/dbraw/zinc/60/29/13/816602913.db2.gz ZOYGOMCGWQCWAH-GFCCVEGCSA-N 0 3 290.436 2.201 20 30 CEEDHN N#CC(Cc1cccs1)C(=O)Nc1[nH]nc2cccnc21 ZINC001177903791 816639352 /nfs/dbraw/zinc/63/93/52/816639352.db2.gz KYOXGZBTXSDMCL-SECBINFHSA-N 0 3 297.343 2.340 20 30 CEEDHN N#Cc1cccc(NC(=O)C(C#N)Cc2cccs2)n1 ZINC001177903051 816639703 /nfs/dbraw/zinc/63/97/03/816639703.db2.gz DOSRODRPOIXJDL-JTQLQIEISA-N 0 3 282.328 2.336 20 30 CEEDHN Cc1cc(Cl)ncc1NC(=O)[C@@H](N)CCCC#N ZINC000691597784 816724502 /nfs/dbraw/zinc/72/45/02/816724502.db2.gz GKTMAQUBEMRCIJ-VIFPVBQESA-N 0 3 266.732 2.003 20 30 CEEDHN CCCCCCCCCCN(C)C(=O)[C@H]1CNCCN1C ZINC001161226152 816811767 /nfs/dbraw/zinc/81/17/67/816811767.db2.gz FUOSDEVDFWECCN-MRXNPFEDSA-N 0 3 297.487 2.489 20 30 CEEDHN C#CCCCCCC(=O)N1CC[C@H](NCCF)[C@@H]1C ZINC001179314006 816853203 /nfs/dbraw/zinc/85/32/03/816853203.db2.gz NXKQIIRIGULOBG-KBPBESRZSA-N 0 3 268.376 2.119 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2ccccc2CC#N)CN1C1CC1 ZINC000601299465 346815405 /nfs/dbraw/zinc/81/54/05/346815405.db2.gz LGKYCFISCQOWMJ-OCCSQVGLSA-N 0 3 283.375 2.108 20 30 CEEDHN C=CCOc1ccc(C(=O)N2CCN[C@@H](C(C)C)C2)cc1 ZINC000621151005 349510954 /nfs/dbraw/zinc/51/09/54/349510954.db2.gz QZEHHHQWHZIRPL-MRXNPFEDSA-N 0 3 288.391 2.321 20 30 CEEDHN C=CCC[C@H](O)CN(C)CCOc1ccc(OC)cc1 ZINC000121286304 365547340 /nfs/dbraw/zinc/54/73/40/365547340.db2.gz QUIRVQDSAMUBSZ-AWEZNQCLSA-N 0 3 279.380 2.333 20 30 CEEDHN COc1ccc(-c2nnc(NC(=O)[C@@H](C)N)s2)cc1 ZINC000033296569 361776913 /nfs/dbraw/zinc/77/69/13/361776913.db2.gz DSJFSFUXWJZCGL-SSDOTTSWSA-N 0 3 278.337 2.149 20 30 CEEDHN C=C(C)CN1CCC(Nc2nccc3nccnc32)CC1 ZINC000621264421 349542814 /nfs/dbraw/zinc/54/28/14/349542814.db2.gz CACFINFQOFOORF-UHFFFAOYSA-N 0 3 283.379 2.477 20 30 CEEDHN C=C1CC(C)(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)C1 ZINC000601437048 346837513 /nfs/dbraw/zinc/83/75/13/346837513.db2.gz NELWEWASEYIQFZ-KBPBESRZSA-N 0 3 294.464 2.381 20 30 CEEDHN CN(C)CCN(CC1CCCCC1)c1cnc(C#N)cn1 ZINC000127822208 187334867 /nfs/dbraw/zinc/33/48/67/187334867.db2.gz NYHFIQKRSQAGJY-UHFFFAOYSA-N 0 3 287.411 2.297 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000601547997 346849201 /nfs/dbraw/zinc/84/92/01/346849201.db2.gz YXBVQVHZUWXOON-KBPBESRZSA-N 0 3 295.333 2.364 20 30 CEEDHN CC[C@@H](C)Oc1cc(CNC(=O)C(C)C#N)ccn1 ZINC000347884951 529382544 /nfs/dbraw/zinc/38/25/44/529382544.db2.gz BKLYNMZTVUSTFU-GHMZBOCLSA-N 0 3 261.325 2.035 20 30 CEEDHN COc1cc(CN(C)C)ccc1NC(=O)[C@H](C)CC#N ZINC000601621485 346863132 /nfs/dbraw/zinc/86/31/32/346863132.db2.gz MXTZITJOKHTSGU-LLVKDONJSA-N 0 3 275.352 2.245 20 30 CEEDHN C[C@@H](N[C@@H](C)CN1CCCC1=O)c1cccc(C#N)c1 ZINC000037782683 361937289 /nfs/dbraw/zinc/93/72/89/361937289.db2.gz CRJKDPZZDXDZIL-QWHCGFSZSA-N 0 3 271.364 2.220 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000337949244 214327870 /nfs/dbraw/zinc/32/78/70/214327870.db2.gz GOLRPBKROMISHD-WFASDCNBSA-N 0 3 285.391 2.421 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000337957061 214330713 /nfs/dbraw/zinc/33/07/13/214330713.db2.gz KGOCDMJDZPHFCB-CABCVRRESA-N 0 3 283.375 2.175 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)NC1(CN(C)C)CCC1 ZINC000337994769 214349382 /nfs/dbraw/zinc/34/93/82/214349382.db2.gz MZIKVUGBSGUNPM-UHFFFAOYSA-N 0 3 271.364 2.081 20 30 CEEDHN N#CC1(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC2(CC2)C1 ZINC000601662882 346872488 /nfs/dbraw/zinc/87/24/88/346872488.db2.gz TXWVLTKISOGYHM-KGLIPLIRSA-N 0 3 287.407 2.203 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000601688198 346878751 /nfs/dbraw/zinc/87/87/51/346878751.db2.gz UYHACJSPTLUVCE-BIMULSAOSA-N 0 3 278.739 2.446 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2nnc[n-]2)C1 ZINC000567723862 299081228 /nfs/dbraw/zinc/08/12/28/299081228.db2.gz VWAINIUVWURNGR-BXUZGUMPSA-N 0 3 267.336 2.227 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2nnc[n-]2)C1 ZINC000567723862 299081229 /nfs/dbraw/zinc/08/12/29/299081229.db2.gz VWAINIUVWURNGR-BXUZGUMPSA-N 0 3 267.336 2.227 20 30 CEEDHN CCn1nccc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000122690317 539167145 /nfs/dbraw/zinc/16/71/45/539167145.db2.gz FIUCZVVFBLWQKU-SNVBAGLBSA-N 0 3 279.303 2.269 20 30 CEEDHN C=CCOc1cccc(CN2CCC(NC(C)=O)CC2)c1 ZINC000123254487 539173878 /nfs/dbraw/zinc/17/38/78/539173878.db2.gz AONSPXMSUUMKDE-UHFFFAOYSA-N 0 3 288.391 2.352 20 30 CEEDHN CC(C)N1C[C@H](NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1=O ZINC000329682573 539246724 /nfs/dbraw/zinc/24/67/24/539246724.db2.gz SPBREYADBNQUOK-RFQIPJPRSA-N 0 3 295.427 2.214 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000601830015 346913308 /nfs/dbraw/zinc/91/33/08/346913308.db2.gz PNACUTDQDSVMRL-OAGGEKHMSA-N 0 3 284.359 2.149 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)N1CCc2ccc(C#N)cc21 ZINC000336593869 365693458 /nfs/dbraw/zinc/69/34/58/365693458.db2.gz NASBAAVDOVHBBJ-OAHLLOKOSA-N 0 3 283.375 2.322 20 30 CEEDHN Cc1nccn1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353384154 282210442 /nfs/dbraw/zinc/21/04/42/282210442.db2.gz KKYCVZHGCNMZAT-INIZCTEOSA-N 0 3 266.348 2.340 20 30 CEEDHN C#CCCN[C@@H](CO)c1ccc(Br)cc1 ZINC000273152555 192059316 /nfs/dbraw/zinc/05/93/16/192059316.db2.gz XNAGHFQHHUZJJZ-LBPRGKRZSA-N 0 3 268.154 2.095 20 30 CEEDHN CC(=O)c1ccc(C#N)c(NCCN(C)C2CC2)c1 ZINC000273157129 192060109 /nfs/dbraw/zinc/06/01/09/192060109.db2.gz AGNKMGYUSPGYAC-UHFFFAOYSA-N 0 3 257.337 2.267 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@](C)(CC)C(F)(F)F)CC1 ZINC000080939725 344028612 /nfs/dbraw/zinc/02/86/12/344028612.db2.gz XEOONSNNSKKZAC-CYBMUJFWSA-N 0 3 290.329 2.179 20 30 CEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1sccc1C#N ZINC000336617290 365724842 /nfs/dbraw/zinc/72/48/42/365724842.db2.gz VNZSIGPQJSENOF-AAEUAGOBSA-N 0 3 289.404 2.319 20 30 CEEDHN CC(C#N)C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000044813989 362155553 /nfs/dbraw/zinc/15/55/53/362155553.db2.gz ALJFNHLKNYCUIP-NSHDSACASA-N 0 3 277.755 2.148 20 30 CEEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)COc1ccccc1 ZINC000027208116 343392271 /nfs/dbraw/zinc/39/22/71/343392271.db2.gz VSPXASLCARNBGS-QGZVFWFLSA-N 0 3 296.370 2.430 20 30 CEEDHN C=CCC[C@@H](O)CNC(C)(C)C(=O)Nc1ccccc1 ZINC000675972236 539308979 /nfs/dbraw/zinc/30/89/79/539308979.db2.gz SIYSETDTBCHBJB-CQSZACIVSA-N 0 3 276.380 2.320 20 30 CEEDHN CC1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000034673828 343420606 /nfs/dbraw/zinc/42/06/06/343420606.db2.gz ZOWBFZOAAVIFSJ-HNNXBMFYSA-N 0 3 274.364 2.030 20 30 CEEDHN N#Cc1cc([N+](=O)[O-])cnc1NCCN1CCCCCC1 ZINC000047852698 362227683 /nfs/dbraw/zinc/22/76/83/362227683.db2.gz MIRNNNKRTDRSKM-UHFFFAOYSA-N 0 3 289.339 2.149 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(CC)C1CCCC1 ZINC000047965969 362235463 /nfs/dbraw/zinc/23/54/63/362235463.db2.gz UJQHBPSVNXPKFF-UHFFFAOYSA-N 0 3 250.386 2.452 20 30 CEEDHN CN(CC(=O)NC1(C#N)CCC1)C1CCC(C)(C)CC1 ZINC000347044270 529831568 /nfs/dbraw/zinc/83/15/68/529831568.db2.gz FORYEHRHVYYDOY-UHFFFAOYSA-N 0 3 277.412 2.449 20 30 CEEDHN CN(C)[C@@H](CNC(=O)C1(C#N)CCCC1)c1ccccc1 ZINC000069179389 343782827 /nfs/dbraw/zinc/78/28/27/343782827.db2.gz JPVFXOQGAKSFBX-HNNXBMFYSA-N 0 3 285.391 2.489 20 30 CEEDHN CC(C)N1CCC(Nc2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000070790679 343795178 /nfs/dbraw/zinc/79/51/78/343795178.db2.gz WZORHIPMKNJZSC-UHFFFAOYSA-N 0 3 289.339 2.146 20 30 CEEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1cnccn1 ZINC000602176162 346988445 /nfs/dbraw/zinc/98/84/45/346988445.db2.gz FUPJXNQZOSKKPB-DZGCQCFKSA-N 0 3 294.358 2.426 20 30 CEEDHN CN(C)C/C=C/C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000075297934 343845555 /nfs/dbraw/zinc/84/55/55/343845555.db2.gz BSRJHCBLITYBDC-LWBCESNNSA-N 0 3 297.402 2.403 20 30 CEEDHN CC(C)CCN(C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000077211657 343911311 /nfs/dbraw/zinc/91/13/11/343911311.db2.gz ZWQXAINBOSIQEA-HIFRSBDPSA-N 0 3 267.417 2.407 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000076981342 343903906 /nfs/dbraw/zinc/90/39/06/343903906.db2.gz WQHXFTAZOHSWFU-AWEZNQCLSA-N 0 3 265.401 2.078 20 30 CEEDHN N#Cc1ccc(CN(CCO)C2CCCC2)c(F)c1 ZINC000048284063 362253425 /nfs/dbraw/zinc/25/34/25/362253425.db2.gz PZTDDNYUHKSBCC-UHFFFAOYSA-N 0 3 262.328 2.434 20 30 CEEDHN N#Cc1ccc(CNCc2cccnc2-n2cccn2)cc1 ZINC000048711355 362299962 /nfs/dbraw/zinc/29/99/62/362299962.db2.gz FQUZRLVEXKAZQO-UHFFFAOYSA-N 0 3 289.342 2.429 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)o1 ZINC000092072202 344176928 /nfs/dbraw/zinc/17/69/28/344176928.db2.gz RDGBEZPQWFZDTP-LLVKDONJSA-N 0 3 256.309 2.254 20 30 CEEDHN CCN(CCNC(=O)c1ccc(C#N)c(Cl)c1)C1CC1 ZINC000126127358 344322406 /nfs/dbraw/zinc/32/24/06/344322406.db2.gz YMJYUBWUIYJVAL-UHFFFAOYSA-N 0 3 291.782 2.426 20 30 CEEDHN C#CCN1CCC(C(=O)NCc2ccc(F)c(C)c2)CC1 ZINC000050026991 362390095 /nfs/dbraw/zinc/39/00/95/362390095.db2.gz FDFJLWLLDDQUDE-UHFFFAOYSA-N 0 3 288.366 2.096 20 30 CEEDHN C=CCN(CC=C)[C@H](CNCc1ncc[nH]1)C(C)C ZINC000150950965 344418955 /nfs/dbraw/zinc/41/89/55/344418955.db2.gz GQRSKTNJACTNOL-CQSZACIVSA-N 0 3 262.401 2.198 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCC2(C)C)CC1 ZINC000174946499 344499438 /nfs/dbraw/zinc/49/94/38/344499438.db2.gz FNMZLLJTSLDTJY-AWEZNQCLSA-N 0 3 262.397 2.027 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@@H]([C@H]3CCOC3)C2)n1 ZINC000602483417 347054829 /nfs/dbraw/zinc/05/48/29/347054829.db2.gz GYYFDXCLRGIFFL-KGLIPLIRSA-N 0 3 271.364 2.202 20 30 CEEDHN C=CC(C)(C)CCNC(=O)[C@@H](N)CCCCC#N ZINC000602533146 347068266 /nfs/dbraw/zinc/06/82/66/347068266.db2.gz OKOYWSPTHQWPIG-LBPRGKRZSA-N 0 3 251.374 2.116 20 30 CEEDHN COc1cccc([C@H](CNc2ccnc(C#N)n2)N(C)C)c1 ZINC000320206592 344751872 /nfs/dbraw/zinc/75/18/72/344751872.db2.gz RHPOLZJQVRCFAN-AWEZNQCLSA-N 0 3 297.362 2.072 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC[C@@H](CO)CC1 ZINC000292984846 344690428 /nfs/dbraw/zinc/69/04/28/344690428.db2.gz BOUHNMCSCSOLOS-CQSZACIVSA-N 0 3 274.364 2.031 20 30 CEEDHN C[C@H](CNCc1cccc(C#N)n1)N1CCC(C)CC1 ZINC000602523712 347066123 /nfs/dbraw/zinc/06/61/23/347066123.db2.gz GQVMLHHXOBCSNG-CQSZACIVSA-N 0 3 272.396 2.163 20 30 CEEDHN CN(Cc1nc(C#N)cs1)C(C)(C)CN1CCCC1 ZINC000418130107 530021610 /nfs/dbraw/zinc/02/16/10/530021610.db2.gz UGWXBQSNSAWGIE-UHFFFAOYSA-N 0 3 278.425 2.321 20 30 CEEDHN Cc1cn2c(nc(C)c2CN(C)C(=O)C(C)C#N)s1 ZINC000334350958 344762823 /nfs/dbraw/zinc/76/28/23/344762823.db2.gz VZAHEZGRKWVOFH-QMMMGPOBSA-N 0 3 276.365 2.131 20 30 CEEDHN C=CCOCC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338762678 344767251 /nfs/dbraw/zinc/76/72/51/344767251.db2.gz QFCKADKRUPILNG-CQSZACIVSA-N 0 3 296.798 2.262 20 30 CEEDHN CN1CCC(CC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000330114362 530048392 /nfs/dbraw/zinc/04/83/92/530048392.db2.gz DRVLGQSXDCECKQ-ZDUSSCGKSA-N 0 3 295.427 2.074 20 30 CEEDHN CCN1C(=O)N=NC1C1CCN(CCC(C)(C)C#N)CC1 ZINC000363472889 344810267 /nfs/dbraw/zinc/81/02/67/344810267.db2.gz VTZMHDOAYUFCJB-UHFFFAOYSA-N 0 3 291.399 2.123 20 30 CEEDHN CC(C)CN1CCCN(C(=O)C#Cc2ccccc2)CC1 ZINC000370015126 344817421 /nfs/dbraw/zinc/81/74/21/344817421.db2.gz BSGNIUWGCQCBPT-UHFFFAOYSA-N 0 3 284.403 2.228 20 30 CEEDHN C/C=C\C[C@@H]1CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000602574536 347084260 /nfs/dbraw/zinc/08/42/60/347084260.db2.gz AWWLJEVIHVMXOH-DTSKHDKYSA-N 0 3 263.385 2.212 20 30 CEEDHN C=CCOc1ccc(C(=O)N[C@H]2CCN(CC)C2)cc1 ZINC000412853917 344891037 /nfs/dbraw/zinc/89/10/37/344891037.db2.gz ZICFJLFPJBZMJB-AWEZNQCLSA-N 0 3 274.364 2.075 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2cccc3c2OCCO3)C1 ZINC000424207952 344897594 /nfs/dbraw/zinc/89/75/94/344897594.db2.gz XVJCHWJTVQWPPK-YPMHNXCESA-N 0 3 258.321 2.240 20 30 CEEDHN C[C@@H](CCC#N)N(C)CCNC(=O)OC(C)(C)C ZINC000496246058 344922811 /nfs/dbraw/zinc/92/28/11/344922811.db2.gz MEGHLDSGCFPSHK-NSHDSACASA-N 0 3 255.362 2.135 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000579242553 344951655 /nfs/dbraw/zinc/95/16/55/344951655.db2.gz AAPSCSRFTDVKFV-WFASDCNBSA-N 0 3 265.401 2.115 20 30 CEEDHN CCOC(=O)c1nn(C)cc1CNCC(C)(C)CCC#N ZINC000589206948 345071466 /nfs/dbraw/zinc/07/14/66/345071466.db2.gz PJSWILLHOQWWIS-UHFFFAOYSA-N 0 3 292.383 2.016 20 30 CEEDHN C[C@@H](NC(=O)CC1CCN(C)CC1)c1cccc(C#N)c1 ZINC000589839156 345101371 /nfs/dbraw/zinc/10/13/71/345101371.db2.gz PFYAMMPXKHXLNO-CYBMUJFWSA-N 0 3 285.391 2.467 20 30 CEEDHN CO[C@]1(C)C[C@@H](NCc2ccnc(C#N)c2)C1(C)C ZINC000590756377 345175204 /nfs/dbraw/zinc/17/52/04/345175204.db2.gz KHKIFEBORMTPGS-UKRRQHHQSA-N 0 3 259.353 2.246 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CC1(C#N)CC1 ZINC000590322860 345128380 /nfs/dbraw/zinc/12/83/80/345128380.db2.gz MDVBQGUENBSFKP-CQSZACIVSA-N 0 3 285.391 2.317 20 30 CEEDHN COC(=O)CC1(NCc2ccc(C#N)cc2C)CCC1 ZINC000590955337 345204633 /nfs/dbraw/zinc/20/46/33/345204633.db2.gz HEFADWJYSYMLEW-UHFFFAOYSA-N 0 3 272.348 2.442 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C2CCC2)C1 ZINC000591063328 345216173 /nfs/dbraw/zinc/21/61/73/345216173.db2.gz PSPMEVKPJNGMOD-TZMCWYRMSA-N 0 3 275.396 2.059 20 30 CEEDHN N#CC1CN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000591084133 345218486 /nfs/dbraw/zinc/21/84/86/345218486.db2.gz PDTNINGTNPBMBS-UHFFFAOYSA-N 0 3 283.375 2.268 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)[nH]c2C)CC1 ZINC000592075579 345320144 /nfs/dbraw/zinc/32/01/44/345320144.db2.gz NMSAOXFFFOHXSA-UHFFFAOYSA-N 0 3 275.396 2.402 20 30 CEEDHN N#Cc1cnccc1CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000592084924 345320578 /nfs/dbraw/zinc/32/05/78/345320578.db2.gz WRTLZEQFAPPPQN-YJBOKZPZSA-N 0 3 296.418 2.402 20 30 CEEDHN CCN1C[C@@H](C)[C@@H](Nc2ncc3c(c2C#N)CCC3)C1 ZINC000591821679 345285418 /nfs/dbraw/zinc/28/54/18/345285418.db2.gz SOHBEZAVPDJKFK-ABAIWWIYSA-N 0 3 270.380 2.194 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CCC)CC1 ZINC000592472034 345358604 /nfs/dbraw/zinc/35/86/04/345358604.db2.gz BJMNQAIDXBHXOH-LBPRGKRZSA-N 0 3 253.390 2.125 20 30 CEEDHN N#Cc1cnccc1CN1CCNC[C@H]1c1ccccc1 ZINC000592495494 345360194 /nfs/dbraw/zinc/36/01/94/345360194.db2.gz JUGIDADHQVEHKA-KRWDZBQOSA-N 0 3 278.359 2.100 20 30 CEEDHN CC(C)[C@H](CO)[C@@H](NCc1ccncc1C#N)C(C)C ZINC000592124327 345325889 /nfs/dbraw/zinc/32/58/89/345325889.db2.gz CDGLRYAEYRVMHM-HOTGVXAUSA-N 0 3 275.396 2.332 20 30 CEEDHN N#Cc1cc(CN2CC[C@H](c3cccnc3)C2)ccn1 ZINC000592140134 345328162 /nfs/dbraw/zinc/32/81/62/345328162.db2.gz GUVKOGAEKCNFRN-HNNXBMFYSA-N 0 3 264.332 2.338 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)NCC1(C#N)CCCC1 ZINC000592998525 345420577 /nfs/dbraw/zinc/42/05/77/345420577.db2.gz BMWBYUCSEWNMOQ-AWEZNQCLSA-N 0 3 292.427 2.244 20 30 CEEDHN CN1CCC[C@@H]1CNC1(c2cccc(C#N)c2)CC1 ZINC000593021865 345424240 /nfs/dbraw/zinc/42/42/40/345424240.db2.gz YZYVEKIJGVNHEL-OAHLLOKOSA-N 0 3 255.365 2.231 20 30 CEEDHN CC[C@@H](C#N)C(=O)N(CCN(C)C)C1CCCCC1 ZINC000593461967 345491378 /nfs/dbraw/zinc/49/13/78/345491378.db2.gz WQBAZEKZIBYHJA-ZDUSSCGKSA-N 0 3 265.401 2.259 20 30 CEEDHN N#Cc1ccsc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000106789410 232194987 /nfs/dbraw/zinc/19/49/87/232194987.db2.gz SWWMFNKYGGPOSI-LBPRGKRZSA-N 0 3 289.404 2.366 20 30 CEEDHN CC(C(=O)N(C)c1ccc(C#N)nc1)C(F)(F)F ZINC000593273802 345460587 /nfs/dbraw/zinc/46/05/87/345460587.db2.gz OVDFSNIODWJUPE-ZETCQYMHSA-N 0 3 257.215 2.114 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000593419933 345481738 /nfs/dbraw/zinc/48/17/38/345481738.db2.gz WUYGBCLRYNVTBS-IIAWOOMASA-N 0 3 285.391 2.488 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(-c3nncnn3)cc2)C1 ZINC000593692954 345522358 /nfs/dbraw/zinc/52/23/58/345522358.db2.gz HSMRWWXWJWTNIJ-HIFRSBDPSA-N 0 3 294.362 2.106 20 30 CEEDHN CCN1C[C@@H](CN[C@@H](C)c2ccc(C#N)cc2F)CC1=O ZINC000593720254 345527243 /nfs/dbraw/zinc/52/72/43/345527243.db2.gz AHXLXDZBGOMSFN-WCQYABFASA-N 0 3 289.354 2.216 20 30 CEEDHN C[C@@H](NCC[C@]1(O)CCCOC1)c1ccc(C#N)c(F)c1 ZINC000593722754 345527896 /nfs/dbraw/zinc/52/78/96/345527896.db2.gz YNUAPDOGLBIVSQ-MLGOLLRUSA-N 0 3 292.354 2.280 20 30 CEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000593852062 345545734 /nfs/dbraw/zinc/54/57/34/345545734.db2.gz VBHHRFCEKIDYCM-NWDGAFQWSA-N 0 3 280.368 2.259 20 30 CEEDHN N#CC[C@@H]1CC[C@H](NCc2cnnn2-c2ccccc2)C1 ZINC000593631498 345515433 /nfs/dbraw/zinc/51/54/33/345515433.db2.gz IYDXQJTZDFVQNJ-KBPBESRZSA-N 0 3 281.363 2.439 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](CC1CCCCC1)C(=O)OC ZINC000593652529 345516685 /nfs/dbraw/zinc/51/66/85/345516685.db2.gz GEJSBFVMWAMDNE-QWHCGFSZSA-N 0 3 280.368 2.164 20 30 CEEDHN N#Cc1cscc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594199450 345597503 /nfs/dbraw/zinc/59/75/03/345597503.db2.gz ZVDVWEFFKOTKMA-KGLIPLIRSA-N 0 3 289.404 2.366 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000594278878 345607955 /nfs/dbraw/zinc/60/79/55/345607955.db2.gz UFOOYLQXEGMAGS-ZIAGYGMSSA-N 0 3 299.418 2.336 20 30 CEEDHN C=CCCC[C@@H](C)NCc1cc(C(=O)OC)no1 ZINC000602579411 347086617 /nfs/dbraw/zinc/08/66/17/347086617.db2.gz BBDJOHQFIZEXTJ-SNVBAGLBSA-N 0 3 252.314 2.296 20 30 CEEDHN CCC(C)(C)N1CCN(C(=O)CCCC#N)CC1 ZINC000594389123 345620024 /nfs/dbraw/zinc/62/00/24/345620024.db2.gz FNKLGDBKPOWYKW-UHFFFAOYSA-N 0 3 251.374 2.013 20 30 CEEDHN C[C@H](O)CN(C(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000594416972 345624668 /nfs/dbraw/zinc/62/46/68/345624668.db2.gz ZUPKHSQZPJPKQS-ZFWWWQNUSA-N 0 3 286.375 2.131 20 30 CEEDHN COc1cccc([C@@H](C)NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594426036 345625480 /nfs/dbraw/zinc/62/54/80/345625480.db2.gz CDXAOHSJEFUULJ-DOMZBBRYSA-N 0 3 289.379 2.284 20 30 CEEDHN COc1cccc([C@@H](C)NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594426037 345625582 /nfs/dbraw/zinc/62/55/82/345625582.db2.gz CDXAOHSJEFUULJ-IUODEOHRSA-N 0 3 289.379 2.284 20 30 CEEDHN CC(C)Cc1nnc(NC(=O)[C@@H](N)CCCCC#N)s1 ZINC000594424544 345625763 /nfs/dbraw/zinc/62/57/63/345625763.db2.gz FQOBCMKMKXPGRL-JTQLQIEISA-N 0 3 295.412 2.086 20 30 CEEDHN C[C@@H](C1CC1)n1nccc1NC(=O)[C@H](N)CCCCC#N ZINC000594424638 345626026 /nfs/dbraw/zinc/62/60/26/345626026.db2.gz CGKHHYLNMSNXET-WCQYABFASA-N 0 3 289.383 2.204 20 30 CEEDHN COc1ccccc1[C@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000594427067 345626460 /nfs/dbraw/zinc/62/64/60/345626460.db2.gz UIKNITBZGFNCFQ-JSGCOSHPSA-N 0 3 289.379 2.284 20 30 CEEDHN C[C@H]1Cc2ccccc2N1C(=O)[C@@H](N)CCCCC#N ZINC000594427401 345626690 /nfs/dbraw/zinc/62/66/90/345626690.db2.gz UGNKPXSARQELDB-JSGCOSHPSA-N 0 3 271.364 2.375 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCc1ccccc1Cl ZINC000594428833 345627272 /nfs/dbraw/zinc/62/72/72/345627272.db2.gz NSTNYLSPTWKVAV-CQSZACIVSA-N 0 3 293.798 2.410 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000594430358 345628423 /nfs/dbraw/zinc/62/84/23/345628423.db2.gz ZYNYRGTWXVMTNB-KKUMJFAQSA-N 0 3 271.364 2.070 20 30 CEEDHN CC1CCC(C)(NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594436078 345629765 /nfs/dbraw/zinc/62/97/65/345629765.db2.gz HJTGGMNFQOLPOZ-OWYJLGKBSA-N 0 3 265.401 2.483 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@H]1CCc2ccccc21 ZINC000594434691 345630173 /nfs/dbraw/zinc/63/01/73/345630173.db2.gz RLPZONYKVOENEP-GDBMZVCRSA-N 0 3 285.391 2.244 20 30 CEEDHN Cc1cnc(C(C)(C)NC(=O)[C@H](N)CCCCC#N)s1 ZINC000594435891 345630177 /nfs/dbraw/zinc/63/01/77/345630177.db2.gz ARFCDNZFLHOAGI-LLVKDONJSA-N 0 3 294.424 2.214 20 30 CEEDHN Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)c(C)c1O ZINC000594437066 345630649 /nfs/dbraw/zinc/63/06/49/345630649.db2.gz TVJWINPFDBUSGI-LBPRGKRZSA-N 0 3 275.352 2.359 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCc2cccc(F)c2C1 ZINC000594437547 345630837 /nfs/dbraw/zinc/63/08/37/345630837.db2.gz OMJHALLVOJRKKX-HNNXBMFYSA-N 0 3 289.354 2.122 20 30 CEEDHN C[C@@H]1CC[C@]2(CCN(C(=O)[C@H](N)CCCCC#N)C2)C1 ZINC000594443565 345631879 /nfs/dbraw/zinc/63/18/79/345631879.db2.gz ROFUYAFEFLXYKL-FMKPAKJESA-N 0 3 277.412 2.436 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H](N)CCCCC#N ZINC000594443874 345631892 /nfs/dbraw/zinc/63/18/92/345631892.db2.gz WIQKYYLBFWJEKU-JHJVBQTASA-N 0 3 251.374 2.187 20 30 CEEDHN Cc1cc(N[C@@H]2CCCN3CCCC[C@H]23)cc(C#N)n1 ZINC000594603893 345658520 /nfs/dbraw/zinc/65/85/20/345658520.db2.gz WHZYKMVPHPFHIR-HZPDHXFCSA-N 0 3 270.380 2.112 20 30 CEEDHN N#CCC1(Cn2cc(CCN3CCCCC3)nn2)CC1 ZINC000594651128 345666918 /nfs/dbraw/zinc/66/69/18/345666918.db2.gz GEFYZYHVFLDRBD-UHFFFAOYSA-N 0 3 273.384 2.000 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000602580467 347086989 /nfs/dbraw/zinc/08/69/89/347086989.db2.gz ATSYZGJDQUJXCF-XHSDSOJGSA-N 0 3 283.375 2.391 20 30 CEEDHN Cc1cc(CN)cc(NC(=O)N2CC[C@@](C)(C#N)C2)c1 ZINC000595236814 345746445 /nfs/dbraw/zinc/74/64/45/345746445.db2.gz OTEKTKYOKHVNJJ-HNNXBMFYSA-N 0 3 272.352 2.221 20 30 CEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)C1CCC(F)CC1 ZINC000595260150 345750706 /nfs/dbraw/zinc/75/07/06/345750706.db2.gz WHOQXEJFRBXTAD-YWPUVAFDSA-N 0 3 269.364 2.041 20 30 CEEDHN CO[C@@H](CNC(=O)[C@@H](N)CCCCC#N)C1CCCCC1 ZINC000595260097 345750794 /nfs/dbraw/zinc/75/07/94/345750794.db2.gz USTHWDVMHGJNJX-GJZGRUSLSA-N 0 3 295.427 2.109 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2c(c1)CCOC2 ZINC000595259208 345750868 /nfs/dbraw/zinc/75/08/68/345750868.db2.gz YTMNWSCTMNCAAE-OAHLLOKOSA-N 0 3 287.363 2.109 20 30 CEEDHN CN(CCO[C@H]1CC1(F)F)Cc1cccc(C#N)c1 ZINC000595289136 345754277 /nfs/dbraw/zinc/75/42/77/345754277.db2.gz PCAOFWSJMGAQOB-ZDUSSCGKSA-N 0 3 266.291 2.414 20 30 CEEDHN C[C@@H](CCNCc1ccc(C2(C#N)CC2)cc1)[S@](C)=O ZINC000594931862 345707533 /nfs/dbraw/zinc/70/75/33/345707533.db2.gz SRHQSYVRJKKCIO-RBZFPXEDSA-N 0 3 290.432 2.488 20 30 CEEDHN CCCOc1ccc(CNCCn2cnc(C#N)n2)c(C)c1 ZINC000594939846 345710582 /nfs/dbraw/zinc/71/05/82/345710582.db2.gz FVJIKBXRUUXSIB-UHFFFAOYSA-N 0 3 299.378 2.037 20 30 CEEDHN C=CCOCCCNCc1ccc([N+](=O)[O-])cc1F ZINC000594974794 345720292 /nfs/dbraw/zinc/72/02/92/345720292.db2.gz JCLLFTVISKCCGN-UHFFFAOYSA-N 0 3 268.288 2.416 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595549942 345810206 /nfs/dbraw/zinc/81/02/06/345810206.db2.gz GERIZRRQVNOEDI-CABCVRRESA-N 0 3 292.427 2.196 20 30 CEEDHN COCCO[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595391749 345773050 /nfs/dbraw/zinc/77/30/50/345773050.db2.gz PMWALQKPIAMHIA-QGZVFWFLSA-N 0 3 288.391 2.228 20 30 CEEDHN C[C@@H]1CN(C)[C@@H](C)CN1CCc1ccc(C#N)cc1 ZINC000595407548 345775525 /nfs/dbraw/zinc/77/55/25/345775525.db2.gz IXLJMPDVAURHCV-UONOGXRCSA-N 0 3 257.381 2.125 20 30 CEEDHN CC(C)[C@@H]1CN(C)CCN1CCc1ccc(C#N)cc1 ZINC000595498947 345796467 /nfs/dbraw/zinc/79/64/67/345796467.db2.gz IBUKAPBSIYBQHV-KRWDZBQOSA-N 0 3 271.408 2.373 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595501532 345797156 /nfs/dbraw/zinc/79/71/56/345797156.db2.gz MAYYDPKESMPJMT-IIAWOOMASA-N 0 3 292.427 2.194 20 30 CEEDHN C[C@H](CO)[C@@H]1CCCCN1CCOc1ccccc1C#N ZINC000595677609 345845939 /nfs/dbraw/zinc/84/59/39/345845939.db2.gz PJMMOMCIZZIMOO-ZBFHGGJFSA-N 0 3 288.391 2.420 20 30 CEEDHN CCCN1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)C1 ZINC000595607827 345825520 /nfs/dbraw/zinc/82/55/20/345825520.db2.gz YQWPMBMPRLYPCV-NRXISQOPSA-N 0 3 292.427 2.100 20 30 CEEDHN C[C@]12COC[C@@H]1CN(Cc1ccc(F)c(C#N)c1)C2 ZINC000595757238 345868364 /nfs/dbraw/zinc/86/83/64/345868364.db2.gz IHUVHVSARRTSRL-ZFWWWQNUSA-N 0 3 260.312 2.166 20 30 CEEDHN Cc1cc(CN2C[C@H]3COC[C@]3(C)C2)ccc1C#N ZINC000595760113 345869483 /nfs/dbraw/zinc/86/94/83/345869483.db2.gz SCMNVURPUVWSFO-HOTGVXAUSA-N 0 3 256.349 2.335 20 30 CEEDHN CC[C@@H](c1ccccc1)N(CC(=O)NCC#N)C(C)C ZINC000595858076 345899352 /nfs/dbraw/zinc/89/93/52/345899352.db2.gz RTXPRAULLDGTSD-HNNXBMFYSA-N 0 3 273.380 2.488 20 30 CEEDHN CCCCC[C@H]1CCCCN1CC(=O)NCC#N ZINC000595870875 345902439 /nfs/dbraw/zinc/90/24/39/345902439.db2.gz LBFPZAKMEJIVHZ-ZDUSSCGKSA-N 0 3 251.374 2.061 20 30 CEEDHN CN(CC(=O)NCc1cccc(C#N)c1)C[C@@H]1CC1(C)C ZINC000595910006 345911711 /nfs/dbraw/zinc/91/17/11/345911711.db2.gz ASNXKKUTIVOBQU-HNNXBMFYSA-N 0 3 285.391 2.152 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN1CCC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000595914622 345912015 /nfs/dbraw/zinc/91/20/15/345912015.db2.gz FIGBNFXAISPBBV-QRTARXTBSA-N 0 3 289.423 2.449 20 30 CEEDHN C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)[C@H](C)CN1 ZINC000595932400 345914906 /nfs/dbraw/zinc/91/49/06/345914906.db2.gz OHGYRDQTUGJETQ-CHWSQXEVSA-N 0 3 263.385 2.059 20 30 CEEDHN CCC1(CC)CCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000595942913 345916803 /nfs/dbraw/zinc/91/68/03/345916803.db2.gz MWYLCFAYROAMMA-ZDUSSCGKSA-N 0 3 265.401 2.436 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000595943421 345916860 /nfs/dbraw/zinc/91/68/60/345916860.db2.gz MGGISWRRDFBWAH-BZUAXINKSA-N 0 3 285.391 2.460 20 30 CEEDHN C=CCC1(NC(=O)[C@H](N)CCCCC#N)CCCC1 ZINC000595971186 345919041 /nfs/dbraw/zinc/91/90/41/345919041.db2.gz BIYWXMYGYFSLGH-CYBMUJFWSA-N 0 3 263.385 2.403 20 30 CEEDHN C[C@@H](Nc1nc(C#N)c(Cl)s1)C1=CCN(C)CC1 ZINC000596185097 345963243 /nfs/dbraw/zinc/96/32/43/345963243.db2.gz BLOJMUVVPYWPBS-MRVPVSSYSA-N 0 3 282.800 2.152 20 30 CEEDHN Cc1ccc2ncc(C#N)c(N[C@@H]3CCN(C4CC4)C3)c2c1 ZINC000596091358 345938076 /nfs/dbraw/zinc/93/80/76/345938076.db2.gz IVOWYXVGZNYLJY-CQSZACIVSA-N 0 3 292.386 2.485 20 30 CEEDHN Cc1ccccc1[C@@H]([C@H](C)Nc1cc(C#N)cnn1)N(C)C ZINC000596232549 345975619 /nfs/dbraw/zinc/97/56/19/345975619.db2.gz VRLGNGKGOUENDM-SUMWQHHRSA-N 0 3 295.390 2.182 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)Nc1cnccc1C#N ZINC000596489939 346037152 /nfs/dbraw/zinc/03/71/52/346037152.db2.gz XYJUYQSAQIYZPO-ZDUSSCGKSA-N 0 3 258.369 2.486 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)Nc1cnccc1C#N ZINC000596489937 346037359 /nfs/dbraw/zinc/03/73/59/346037359.db2.gz XYJUYQSAQIYZPO-CYBMUJFWSA-N 0 3 258.369 2.486 20 30 CEEDHN C[C@H](CC#N)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000596972770 346110735 /nfs/dbraw/zinc/11/07/35/346110735.db2.gz IVLNYYZBWDINBI-CQSZACIVSA-N 0 3 273.380 2.127 20 30 CEEDHN CC(=O)NC1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596995024 346113069 /nfs/dbraw/zinc/11/30/69/346113069.db2.gz FDMIPZXNZQZRNZ-UHFFFAOYSA-N 0 3 297.402 2.342 20 30 CEEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)C1CC(O)C1 ZINC000597083386 346126297 /nfs/dbraw/zinc/12/62/97/346126297.db2.gz KRSDVKQUWDGJAH-UHFFFAOYSA-N 0 3 256.349 2.197 20 30 CEEDHN C[C@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)N(C)C1CC1 ZINC000597115962 346130227 /nfs/dbraw/zinc/13/02/27/346130227.db2.gz AIZDZHZUWNXRNX-SECBINFHSA-N 0 3 293.317 2.049 20 30 CEEDHN CC[C@H]1CN(C)CCCN1C(=O)Cc1cccc(C#N)c1 ZINC000597605100 346206739 /nfs/dbraw/zinc/20/67/39/346206739.db2.gz MVMOHVPDMFENCM-INIZCTEOSA-N 0 3 285.391 2.043 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc2cccnc2c1 ZINC000602586501 347089504 /nfs/dbraw/zinc/08/95/04/347089504.db2.gz RYESQONUGXTAFI-HNNXBMFYSA-N 0 3 296.374 2.262 20 30 CEEDHN CC[C@H](C(=O)N1CCC[C@@H](CC#N)C1)N(CC)CC ZINC000597910302 346251041 /nfs/dbraw/zinc/25/10/41/346251041.db2.gz YMMNPFQNIZGTDL-UONOGXRCSA-N 0 3 265.401 2.259 20 30 CEEDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(CC#N)cc2)C1 ZINC000597925530 346254187 /nfs/dbraw/zinc/25/41/87/346254187.db2.gz WQIVFCSDKYAWIX-OAHLLOKOSA-N 0 3 285.391 2.355 20 30 CEEDHN CCN(C(=O)[C@H](C#N)CCc1ccccc1)[C@H]1CCN(C)C1 ZINC000597946971 346256250 /nfs/dbraw/zinc/25/62/50/346256250.db2.gz UIXBZGIIBPPNQP-IRXDYDNUSA-N 0 3 299.418 2.312 20 30 CEEDHN CC[C@@H](C#N)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000598194313 346302587 /nfs/dbraw/zinc/30/25/87/346302587.db2.gz FHVVDFBOSONOQS-IRXDYDNUSA-N 0 3 299.418 2.312 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000598330742 346328333 /nfs/dbraw/zinc/32/83/33/346328333.db2.gz NCJDUCUPCQTOIT-BZUAXINKSA-N 0 3 279.343 2.109 20 30 CEEDHN CCCN1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000598343847 346332090 /nfs/dbraw/zinc/33/20/90/346332090.db2.gz WMIBDHDKLBKIRT-LBPRGKRZSA-N 0 3 291.782 2.426 20 30 CEEDHN CC(C#N)C(=O)N1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC000598228676 346310667 /nfs/dbraw/zinc/31/06/67/346310667.db2.gz VSEBLYQZBXXVDQ-TVQRCGJNSA-N 0 3 280.274 2.024 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000598397798 346345363 /nfs/dbraw/zinc/34/53/63/346345363.db2.gz JMCUJQCFYITBQX-XCBNKYQSSA-N 0 3 287.146 2.303 20 30 CEEDHN C[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)C[C@@H](C)S1 ZINC000598591489 346379658 /nfs/dbraw/zinc/37/96/58/346379658.db2.gz BGOZLLHCDMLLQZ-IJLUTSLNSA-N 0 3 256.415 2.113 20 30 CEEDHN Cc1cccc(CN(C)C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598597180 346381220 /nfs/dbraw/zinc/38/12/20/346381220.db2.gz XLSAXTPVJHWEJX-AWEZNQCLSA-N 0 3 261.369 2.123 20 30 CEEDHN CN(C[C@@H](O)CC(C)(C)C#N)[C@@H]1CCCc2c1cnn2C ZINC000598596943 346381485 /nfs/dbraw/zinc/38/14/85/346381485.db2.gz OAAQXIVPIRNMPT-GXTWGEPZSA-N 0 3 290.411 2.030 20 30 CEEDHN CC(C)O[C@@H]1CCCN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598624115 346387258 /nfs/dbraw/zinc/38/72/58/346387258.db2.gz WWQAAYAYJAJPEP-UONOGXRCSA-N 0 3 268.401 2.177 20 30 CEEDHN COc1ccc(C)cc1CNC[C@H](O)CC(C)(C)C#N ZINC000598699959 346403152 /nfs/dbraw/zinc/40/31/52/346403152.db2.gz JXBZAMVGCYETKA-CQSZACIVSA-N 0 3 276.380 2.394 20 30 CEEDHN Cn1ncc(C2CCC2)c1CNC[C@@H](O)CC(C)(C)C#N ZINC000598705416 346404777 /nfs/dbraw/zinc/40/47/77/346404777.db2.gz JGNNNFPYJILISN-ZDUSSCGKSA-N 0 3 290.411 2.078 20 30 CEEDHN COc1cccc(CNC[C@H](O)CC(C)(C)C#N)c1C ZINC000598730311 346411044 /nfs/dbraw/zinc/41/10/44/346411044.db2.gz SSKRTMMSYMJVDH-CQSZACIVSA-N 0 3 276.380 2.394 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(CC3CC3)C2)cc1 ZINC000598780423 346418944 /nfs/dbraw/zinc/41/89/44/346418944.db2.gz DVCSAFIMRXKTEX-QGZVFWFLSA-N 0 3 293.370 2.499 20 30 CEEDHN Cc1ncc([C@H](C)NC(=O)[C@H](N)CCCCC#N)s1 ZINC000602599044 347094839 /nfs/dbraw/zinc/09/48/39/347094839.db2.gz FUQZJRCVISOPBC-GXSJLCMTSA-N 0 3 280.397 2.040 20 30 CEEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)C1 ZINC000599077937 346456611 /nfs/dbraw/zinc/45/66/11/346456611.db2.gz BCYGPBMCKAHBIG-ZIEJDFEHSA-N 0 3 287.363 2.289 20 30 CEEDHN Cc1ccc(CN2CCN(C)[C@@H](C)[C@@H]2C)cc1C#N ZINC000599346389 346503212 /nfs/dbraw/zinc/50/32/12/346503212.db2.gz IRTWEAIGGWNADJ-KBPBESRZSA-N 0 3 257.381 2.391 20 30 CEEDHN COC[C@@H](NCc1ccc(C)c(C#N)c1)[C@@H]1CCCO1 ZINC000599393061 346513136 /nfs/dbraw/zinc/51/31/36/346513136.db2.gz COXRVUGRPXSUFI-CVEARBPZSA-N 0 3 274.364 2.150 20 30 CEEDHN Cc1ccc(CN(C)[C@@H](C)CN2CCOCC2)cc1C#N ZINC000599395424 346513201 /nfs/dbraw/zinc/51/32/01/346513201.db2.gz JSIPBQHUSWISIV-HNNXBMFYSA-N 0 3 287.407 2.019 20 30 CEEDHN Cc1ccc(CN2CCC([C@@H](C)O)CC2)cc1C#N ZINC000599290825 346491902 /nfs/dbraw/zinc/49/19/02/346491902.db2.gz CRWGTCBDLMOSNT-CYBMUJFWSA-N 0 3 258.365 2.460 20 30 CEEDHN C[C@H](CC1CCC1)NC(=O)[C@H](N)CCCCC#N ZINC000602603021 347096479 /nfs/dbraw/zinc/09/64/79/347096479.db2.gz PQZZZDCCZBHUQS-DGCLKSJQSA-N 0 3 251.374 2.093 20 30 CEEDHN Cc1ccc(CNC2(C(N)=O)CCCCC2)cc1C#N ZINC000599330614 346499809 /nfs/dbraw/zinc/49/98/09/346499809.db2.gz NFPIDKCCAQRMNR-UHFFFAOYSA-N 0 3 271.364 2.145 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CCCC3(CC3)CC2)c1 ZINC000599672893 346560325 /nfs/dbraw/zinc/56/03/25/346560325.db2.gz IQJVIVPBIVONRU-UHFFFAOYSA-N 0 3 297.402 2.441 20 30 CEEDHN N#CCCCNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000599628786 346548418 /nfs/dbraw/zinc/54/84/18/346548418.db2.gz BDEMRRCVVIEJHO-UHFFFAOYSA-N 0 3 269.348 2.457 20 30 CEEDHN CCC(C#N)(CC)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000600088014 346596117 /nfs/dbraw/zinc/59/61/17/346596117.db2.gz RIOSNRXFHWNDAD-LBPRGKRZSA-N 0 3 265.401 2.305 20 30 CEEDHN CC[C@@H](CC#N)NC1CCC(CC(=O)OC)CC1 ZINC000600151759 346607781 /nfs/dbraw/zinc/60/77/81/346607781.db2.gz PMDZGHJEXCFODC-CPCZMJQVSA-N 0 3 252.358 2.390 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(C(=O)OCC)n1 ZINC000600168370 346612487 /nfs/dbraw/zinc/61/24/87/346612487.db2.gz IDSJAJSPAQHJHC-HIFRSBDPSA-N 0 3 290.363 2.082 20 30 CEEDHN COC[C@]1(C)CN(CC(C)(C)CCC#N)CCO1 ZINC000600216885 346625271 /nfs/dbraw/zinc/62/52/71/346625271.db2.gz CVJQYFKKUSLNAG-AWEZNQCLSA-N 0 3 254.374 2.054 20 30 CEEDHN N#CC1(C[C@@H](O)CNCc2cccc(Cl)c2)CC1 ZINC000600713149 346676134 /nfs/dbraw/zinc/67/61/34/346676134.db2.gz GCIDUTSQXGWLBO-CYBMUJFWSA-N 0 3 264.756 2.484 20 30 CEEDHN CC(C)Oc1cc(CNC[C@H](O)CC2(C#N)CC2)ccn1 ZINC000600729615 346679426 /nfs/dbraw/zinc/67/94/26/346679426.db2.gz WANSGFCMLADFBS-CQSZACIVSA-N 0 3 289.379 2.013 20 30 CEEDHN Cc1c(CNC[C@@H](O)CC2(C#N)CC2)cccc1[N+](=O)[O-] ZINC000600735936 346681549 /nfs/dbraw/zinc/68/15/49/346681549.db2.gz WKLLFEZOWIMSSZ-ZDUSSCGKSA-N 0 3 289.335 2.048 20 30 CEEDHN COc1c(C)cccc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600747792 346683244 /nfs/dbraw/zinc/68/32/44/346683244.db2.gz KQQSMQVCVFLWNG-AWEZNQCLSA-N 0 3 274.364 2.148 20 30 CEEDHN COc1ccc([C@@H]2CCN(C(=O)C(C)C#N)C2)cc1F ZINC000600775694 346688095 /nfs/dbraw/zinc/68/80/95/346688095.db2.gz NJYNHOOVJQRECG-ZYHUDNBSSA-N 0 3 276.311 2.310 20 30 CEEDHN CO[C@H]1C[C@@H](CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000600797643 346692221 /nfs/dbraw/zinc/69/22/21/346692221.db2.gz NBWYXOVHGKNSSQ-HRCADAONSA-N 0 3 286.375 2.300 20 30 CEEDHN C=CCOc1ccccc1CNC[C@H]1CNc2ccnn2C1 ZINC000600809915 346694504 /nfs/dbraw/zinc/69/45/04/346694504.db2.gz WTVUESHSPVJHHS-AWEZNQCLSA-N 0 3 298.390 2.279 20 30 CEEDHN C[C@H]1C[C@@H](N(C)c2cc(C#N)nc(C3CC3)n2)CCN1C ZINC000601118853 346758791 /nfs/dbraw/zinc/75/87/91/346758791.db2.gz IRXFILMCMRUWHG-FZMZJTMJSA-N 0 3 285.395 2.145 20 30 CEEDHN CCC[C@H](CCO)NCc1ccc(C#N)cc1F ZINC000601140556 346766921 /nfs/dbraw/zinc/76/69/21/346766921.db2.gz YNOTXGHSAOZGJS-CYBMUJFWSA-N 0 3 250.317 2.338 20 30 CEEDHN CN1CCC[C@@H]1CNc1ncc(C#N)c2ccsc21 ZINC000601109289 346755553 /nfs/dbraw/zinc/75/55/53/346755553.db2.gz UFHGCPCIYVOLNE-LLVKDONJSA-N 0 3 272.377 2.096 20 30 CEEDHN N#Cc1cc(N[C@@H]2CCCN3CCCC[C@H]23)nc(C2CC2)n1 ZINC000601188805 346781595 /nfs/dbraw/zinc/78/15/95/346781595.db2.gz AZPRHZDGAKPNNF-HUUCEWRRSA-N 0 3 297.406 2.076 20 30 CEEDHN C[C@@H](CCC#N)CNCc1ncnn1-c1ccccc1 ZINC000602638076 347116913 /nfs/dbraw/zinc/11/69/13/347116913.db2.gz BZZPVASRCCARHE-ZDUSSCGKSA-N 0 3 269.352 2.297 20 30 CEEDHN C[C@H](CCC#N)CN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000602643283 347119734 /nfs/dbraw/zinc/11/97/34/347119734.db2.gz DAKZAYRQYHZFKQ-HIFRSBDPSA-N 0 3 266.385 2.196 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCN(c3ccccc3F)C2)n1 ZINC000602673229 347134996 /nfs/dbraw/zinc/13/49/96/347134996.db2.gz PYGPHHQIZRQUJV-OAHLLOKOSA-N 0 3 296.349 2.461 20 30 CEEDHN CC[C@@](C)(CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)OC ZINC000602673390 347135901 /nfs/dbraw/zinc/13/59/01/347135901.db2.gz UNBLFZBGPPPRKH-ZBFHGGJFSA-N 0 3 289.379 2.221 20 30 CEEDHN CO[C@@H](CNCC1(C#N)CCCCC1)[C@@H]1CCOC1 ZINC000602720070 347168988 /nfs/dbraw/zinc/16/89/88/347168988.db2.gz XLQUDGYDCLJQSC-KGLIPLIRSA-N 0 3 266.385 2.102 20 30 CEEDHN CO[C@H](CNCc1cccc(C#N)n1)C1CCCC1 ZINC000602718910 347169327 /nfs/dbraw/zinc/16/93/27/347169327.db2.gz SWYSADBFACCHCD-OAHLLOKOSA-N 0 3 259.353 2.248 20 30 CEEDHN C[C@H](CCC#N)CN[C@@H]1Cc2ccccc2N(C)C1=O ZINC000602705458 347159920 /nfs/dbraw/zinc/15/99/20/347159920.db2.gz GEELKJBXIYIUHJ-TZMCWYRMSA-N 0 3 271.364 2.104 20 30 CEEDHN C[C@H](CCC#N)CN1CCc2c(cccc2C(N)=O)C1 ZINC000602716304 347167128 /nfs/dbraw/zinc/16/71/28/347167128.db2.gz FFHJDKJUKFAJQG-GFCCVEGCSA-N 0 3 271.364 2.083 20 30 CEEDHN C=CCN1CCC(NC(=O)CO[C@@H]2CCC[C@H](C)C2)CC1 ZINC000602768092 347190289 /nfs/dbraw/zinc/19/02/89/347190289.db2.gz UEZOWSQLARICLK-GOEBONIOSA-N 0 3 294.439 2.348 20 30 CEEDHN N#CCCN1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000602748666 347184203 /nfs/dbraw/zinc/18/42/03/347184203.db2.gz PFEYAHIOACUTBB-IAGOWNOFSA-N 0 3 269.392 2.321 20 30 CEEDHN CC(C)(CO)[C@H](NCC1(CC#N)CC1)c1cccnc1 ZINC000602832507 347217586 /nfs/dbraw/zinc/21/75/86/347217586.db2.gz NSSUQVKDTUPZTQ-CQSZACIVSA-N 0 3 273.380 2.425 20 30 CEEDHN C[C@@H]1CN(CCCOc2ccccc2)C[C@H](C)N1CC#N ZINC000602859175 347226983 /nfs/dbraw/zinc/22/69/83/347226983.db2.gz WVSIMEAQQCAPGI-IYBDPMFKSA-N 0 3 287.407 2.374 20 30 CEEDHN CC#CCNC1(C(=O)NCCCC)CCCCC1 ZINC000085906551 179197251 /nfs/dbraw/zinc/19/72/51/179197251.db2.gz JIZJJLGSRLURDS-UHFFFAOYSA-N 0 3 250.386 2.219 20 30 CEEDHN N#Cc1ccccc1OCCN[C@@H]1CCCn2nccc21 ZINC000603027730 347274358 /nfs/dbraw/zinc/27/43/58/347274358.db2.gz NQYHXUYVDSHCED-CQSZACIVSA-N 0 3 282.347 2.258 20 30 CEEDHN CN1CC=C(CNC(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000603077315 347282692 /nfs/dbraw/zinc/28/26/92/347282692.db2.gz UTDDHRMTEJSUGQ-UHFFFAOYSA-N 0 3 288.326 2.081 20 30 CEEDHN COCc1cc(C#N)ccc1NCC1(N(C)C)CC1 ZINC000603400672 347359499 /nfs/dbraw/zinc/35/94/99/347359499.db2.gz VHPJFNYPLIKIQV-UHFFFAOYSA-N 0 3 259.353 2.211 20 30 CEEDHN CC(C)(C)[C@H](N)c1cn(CCOc2ccc(C#N)cc2)nn1 ZINC000603176404 347302142 /nfs/dbraw/zinc/30/21/42/347302142.db2.gz MJBGIMONDKNMFZ-OAHLLOKOSA-N 0 3 299.378 2.275 20 30 CEEDHN CC[C@@](C)(N)c1cn(Cc2ccc(C)c(C#N)c2)nn1 ZINC000603224247 347314061 /nfs/dbraw/zinc/31/40/61/347314061.db2.gz QIWQQPCFJKJAOE-OAHLLOKOSA-N 0 3 269.352 2.090 20 30 CEEDHN CC[C@](C)(N)c1cn([C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000603229471 347316824 /nfs/dbraw/zinc/31/68/24/347316824.db2.gz YGNDWRIUMFOBRW-NHYWBVRUSA-N 0 3 269.352 2.343 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2ccco2)CC1 ZINC000607646113 347529103 /nfs/dbraw/zinc/52/91/03/347529103.db2.gz UUJGVBMBZZDMFU-LBPRGKRZSA-N 0 3 262.353 2.150 20 30 CEEDHN C[C@@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1cccc(C#N)c1 ZINC000610403505 347678910 /nfs/dbraw/zinc/67/89/10/347678910.db2.gz HUMDQVXWFQGHAC-DOMZBBRYSA-N 0 3 298.390 2.155 20 30 CEEDHN Cc1ccnc(N2CCCN(C(C)C)CC2)c1C#N ZINC000273309868 192108004 /nfs/dbraw/zinc/10/80/04/192108004.db2.gz IKFNFXBBIUGVPM-UHFFFAOYSA-N 0 3 258.369 2.182 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCNC(=O)C1CC1 ZINC000611390153 347772627 /nfs/dbraw/zinc/77/26/27/347772627.db2.gz GMTAPPKQZXUGMM-MRXNPFEDSA-N 0 3 283.375 2.051 20 30 CEEDHN C[C@](CO)(NCc1ccnc(C#N)c1)C1CCCCC1 ZINC000610993434 347728836 /nfs/dbraw/zinc/72/88/36/347728836.db2.gz RTPSERLBTHWWCU-MRXNPFEDSA-N 0 3 273.380 2.374 20 30 CEEDHN COC1CCC(N(C)Cc2ccnc(C#N)c2)CC1 ZINC000610993148 347729221 /nfs/dbraw/zinc/72/92/21/347729221.db2.gz FOWCZGDLXGKNKL-UHFFFAOYSA-N 0 3 259.353 2.343 20 30 CEEDHN CCN1CCN(Cc2cn3ccccc3c2C#N)C[C@@H]1C ZINC000611092067 347738839 /nfs/dbraw/zinc/73/88/39/347738839.db2.gz IARSVRORZWGZFJ-AWEZNQCLSA-N 0 3 282.391 2.337 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@H](CCO)C1 ZINC000611235395 347754731 /nfs/dbraw/zinc/75/47/31/347754731.db2.gz KHLMORGQBNWWTO-CYBMUJFWSA-N 0 3 274.364 2.161 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000611237857 347755725 /nfs/dbraw/zinc/75/57/25/347755725.db2.gz UGXMDWQGDKHDQG-QGZVFWFLSA-N 0 3 286.375 2.338 20 30 CEEDHN N#CCSCCCN1CCC[C@H](OC(F)F)C1 ZINC000611577130 347797019 /nfs/dbraw/zinc/79/70/19/347797019.db2.gz GAIFTONIEXVTFZ-JTQLQIEISA-N 0 3 264.341 2.337 20 30 CEEDHN N#Cc1cc(CN2CCC[C@@H]2C2CCOCC2)ccn1 ZINC000611483695 347784427 /nfs/dbraw/zinc/78/44/27/347784427.db2.gz DLDBTRJOVHCANX-MRXNPFEDSA-N 0 3 271.364 2.344 20 30 CEEDHN CC[C@H](NC1CCN(CC#N)CC1)c1ccc(F)cn1 ZINC000611519338 347790244 /nfs/dbraw/zinc/79/02/44/347790244.db2.gz WOXYMNIMXIUXHX-AWEZNQCLSA-N 0 3 276.359 2.249 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612366599 347874902 /nfs/dbraw/zinc/87/49/02/347874902.db2.gz SETXQBFXDNMEEZ-VNHYZAJKSA-N 0 3 263.385 2.011 20 30 CEEDHN CCOC(=O)[C@@H]1CC[C@@H](NCC(C)(C)C#N)C[C@@H]1C ZINC000613145969 347981184 /nfs/dbraw/zinc/98/11/84/347981184.db2.gz XVPURNPYOBJBOV-YNEHKIRRSA-N 0 3 266.385 2.494 20 30 CEEDHN COc1ccsc1[C@@H](C)NC1CCN(CC#N)CC1 ZINC000613662222 348086667 /nfs/dbraw/zinc/08/66/67/348086667.db2.gz MKHVCSSXJAZFMI-LLVKDONJSA-N 0 3 279.409 2.395 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(F)cc2C#N)[C@H](C)CN1C ZINC000351925958 219249544 /nfs/dbraw/zinc/24/95/44/219249544.db2.gz HKLRBGLTJHUQTA-VXGBXAGGSA-N 0 3 261.344 2.222 20 30 CEEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)[C@@]1(CO)CCOC1 ZINC000614182130 348155528 /nfs/dbraw/zinc/15/55/28/348155528.db2.gz DTOISDQILKEZNN-QGZVFWFLSA-N 0 3 288.391 2.071 20 30 CEEDHN CCC#C[C@H](C)N(C)Cc1ccc(OCC(=O)OC)cc1 ZINC000614204779 348157458 /nfs/dbraw/zinc/15/74/58/348157458.db2.gz KZLSVOZNHPRNQK-AWEZNQCLSA-N 0 3 289.375 2.472 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000614963198 348260926 /nfs/dbraw/zinc/26/09/26/348260926.db2.gz QJEGBAPMCHMDLS-OLMNPRSZSA-N 0 3 299.418 2.150 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@@H](C)N(C)C[C@H]1C ZINC000351944132 219259767 /nfs/dbraw/zinc/25/97/67/219259767.db2.gz JRVPDHVJYDGMTN-CHWSQXEVSA-N 0 3 273.380 2.091 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@@H](C)N(C)C[C@H]1C ZINC000351952937 219263241 /nfs/dbraw/zinc/26/32/41/219263241.db2.gz ZIEJNNGFRVPTJO-CHWSQXEVSA-N 0 3 273.380 2.091 20 30 CEEDHN Cc1c(Cl)cnc(NC[C@H]2CCCN2C)c1C#N ZINC000273376239 192132023 /nfs/dbraw/zinc/13/20/23/192132023.db2.gz SGPBCAHNJDTYGN-SNVBAGLBSA-N 0 3 264.760 2.421 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000617008783 348609700 /nfs/dbraw/zinc/60/97/00/348609700.db2.gz LZHBOGYJRFTOSX-BBRMVZONSA-N 0 3 282.428 2.204 20 30 CEEDHN CC[C@]1(NCc2ccc(C#N)cc2OC)CCOC1 ZINC000616865175 348581196 /nfs/dbraw/zinc/58/11/96/348581196.db2.gz HCTIFQSUZVYITN-HNNXBMFYSA-N 0 3 260.337 2.226 20 30 CEEDHN C[C@H]1C[C@H](N(C)c2ccc(C#N)c([N+](=O)[O-])c2)CCN1C ZINC000357526614 233089379 /nfs/dbraw/zinc/08/93/79/233089379.db2.gz FDVCBDIIYOYKFR-SMDDNHRTSA-N 0 3 288.351 2.385 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1n[nH]cc1C)C(C)C ZINC000669604512 539686215 /nfs/dbraw/zinc/68/62/15/539686215.db2.gz GKQQYEFKVVXSAI-AWEZNQCLSA-N 0 3 290.411 2.147 20 30 CEEDHN C=C(C)CN(CC)C[C@H](O)COc1ccccc1F ZINC000068045785 362934532 /nfs/dbraw/zinc/93/45/32/362934532.db2.gz URZCMBMNUYYWLA-ZDUSSCGKSA-N 0 3 267.344 2.463 20 30 CEEDHN C=CCOCCCNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000618524491 348966057 /nfs/dbraw/zinc/96/60/57/348966057.db2.gz GPXOSWLGMOISGR-MRXNPFEDSA-N 0 3 290.407 2.388 20 30 CEEDHN C=CCOCCCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000618524810 348966270 /nfs/dbraw/zinc/96/62/70/348966270.db2.gz QJPBTGNNRDPZII-MRXNPFEDSA-N 0 3 294.439 2.492 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1cncc(C#N)n1 ZINC000401219105 233180765 /nfs/dbraw/zinc/18/07/65/233180765.db2.gz ASQPZVPLBZVGJG-XJKSGUPXSA-N 0 3 293.374 2.281 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1cc(C#N)ccc1F ZINC000273998762 192395528 /nfs/dbraw/zinc/39/55/28/192395528.db2.gz KMFMLBFYFIGBCQ-WDEREUQCSA-N 0 3 278.327 2.375 20 30 CEEDHN C=C[C@H](N[C@@H](CN1CCCC1)c1ccccc1)C(=O)OC ZINC000619700279 349221428 /nfs/dbraw/zinc/22/14/28/349221428.db2.gz RENPTNNPFXUPNA-HOTGVXAUSA-N 0 3 288.391 2.141 20 30 CEEDHN C=CC[C@H](CO)CNCc1cc(C)c(Br)cn1 ZINC000623483440 350031568 /nfs/dbraw/zinc/03/15/68/350031568.db2.gz GLESVXSDEFAFIK-NSHDSACASA-N 0 3 299.212 2.427 20 30 CEEDHN C=CCOc1c(Cl)cc(CN[C@@H](C)CO)cc1OC ZINC000623433052 350019024 /nfs/dbraw/zinc/01/90/24/350019024.db2.gz YFPRJOJCTSNBQE-JTQLQIEISA-N 0 3 285.771 2.384 20 30 CEEDHN C=CCNC(=O)CN(C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000090620441 180014242 /nfs/dbraw/zinc/01/42/42/180014242.db2.gz HYAVMRFJYQUALB-AWEZNQCLSA-N 0 3 290.407 2.108 20 30 CEEDHN C[C@@H]1[C@H](CO)CCCN1CCOc1ccc(C#N)cc1 ZINC000412071966 233330058 /nfs/dbraw/zinc/33/00/58/233330058.db2.gz HCQRVDJQSKDXRW-HIFRSBDPSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@H]1[C@H](CO)CCCN1CCOc1cccc(C#N)c1 ZINC000412101777 233339803 /nfs/dbraw/zinc/33/98/03/233339803.db2.gz ZCGUHTQSZWGQNZ-ZFWWWQNUSA-N 0 3 274.364 2.030 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc3c(c2)COC3)CC1 ZINC000092050609 180311916 /nfs/dbraw/zinc/31/19/16/180311916.db2.gz MVPBJWGBOQGGNZ-UHFFFAOYSA-N 0 3 284.359 2.001 20 30 CEEDHN C#CCCOc1ccc(CN(C)C[C@@H](C)C(=O)OC)cc1 ZINC000091986359 180298257 /nfs/dbraw/zinc/29/82/57/180298257.db2.gz SEAGGAHRHCDSPO-CQSZACIVSA-N 0 3 289.375 2.330 20 30 CEEDHN CN(CCOc1ccc(C#N)cc1)[C@H]1CCCOC1 ZINC000352194149 219355393 /nfs/dbraw/zinc/35/53/93/219355393.db2.gz IEUWWIVKTNUHSG-AWEZNQCLSA-N 0 3 260.337 2.048 20 30 CEEDHN C=CCCN(Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000625391584 350488406 /nfs/dbraw/zinc/48/84/06/350488406.db2.gz FRRSDJIPYGMUCP-MRXNPFEDSA-N 0 3 261.365 2.216 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)NCCOc2ccccc2)C1 ZINC000625702155 350550669 /nfs/dbraw/zinc/55/06/69/350550669.db2.gz UAIJHJKZVMRPCC-HNNXBMFYSA-N 0 3 288.391 2.080 20 30 CEEDHN C=C(C)CCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625940187 350610736 /nfs/dbraw/zinc/61/07/36/350610736.db2.gz JUHOYBMCNYZSTK-UHFFFAOYSA-N 0 3 275.352 2.256 20 30 CEEDHN CN(CC#Cc1cccc(Cl)c1)C[C@H]1C[C@@H](O)C1 ZINC000626046278 350639822 /nfs/dbraw/zinc/63/98/22/350639822.db2.gz XNIQPYRNKLVXOQ-OTVXOJSOSA-N 0 3 263.768 2.394 20 30 CEEDHN COc1ccc(CN(C)[C@@H]2CCCOC2)cc1C#N ZINC000352223274 219370079 /nfs/dbraw/zinc/37/00/79/219370079.db2.gz URUGNOGKJULFKX-CQSZACIVSA-N 0 3 260.337 2.178 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)C1(C#N)CCCC1 ZINC000110992137 186340017 /nfs/dbraw/zinc/34/00/17/186340017.db2.gz BQUSDDMLXAMVBD-ZDUSSCGKSA-N 0 3 263.385 2.061 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1oc(C)nc1C ZINC000628258439 351031154 /nfs/dbraw/zinc/03/11/54/351031154.db2.gz FDGFCOJLOJWUAB-OCCSQVGLSA-N 0 3 250.342 2.362 20 30 CEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)C1(C#N)CCCC1 ZINC000335489574 295819690 /nfs/dbraw/zinc/81/96/90/295819690.db2.gz MLTDPRMOLKYHOQ-ZDUSSCGKSA-N 0 3 277.412 2.259 20 30 CEEDHN C[C@H]1CSCCN1CCC(=O)Nc1ccccc1C#N ZINC000070219775 363057074 /nfs/dbraw/zinc/05/70/74/363057074.db2.gz PHEVWVXSGRKOAW-LBPRGKRZSA-N 0 3 289.404 2.324 20 30 CEEDHN C=CCN1CC[C@H](N2CCC[C@H](CC)CC2)C1=O ZINC000337171179 366050596 /nfs/dbraw/zinc/05/05/96/366050596.db2.gz FPYJXVBBTKZDTE-KBPBESRZSA-N 0 3 250.386 2.285 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1N(C)C[C@@H]1CCCN1C ZINC000131310273 366041936 /nfs/dbraw/zinc/04/19/36/366041936.db2.gz VBUXXRXMRNBJHF-AWEZNQCLSA-N 0 3 271.364 2.291 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@H](N)CC(C)C ZINC000236726614 539820161 /nfs/dbraw/zinc/82/01/61/539820161.db2.gz CZOBKDMFHIRMAW-CQSZACIVSA-N 0 3 276.380 2.241 20 30 CEEDHN C=CCN1CC[C@H](N[C@@H](C)c2ccc(OC)cc2)C1=O ZINC000337196378 366067854 /nfs/dbraw/zinc/06/78/54/366067854.db2.gz XKEIGVKOHSWZSZ-WFASDCNBSA-N 0 3 274.364 2.133 20 30 CEEDHN C=CCN1CC[C@H](N2CC[C@@]3(CC[C@@H](C)C3)C2)C1=O ZINC000337207878 366078172 /nfs/dbraw/zinc/07/81/72/366078172.db2.gz PLTHGGVCLFKAKB-IJEWVQPXSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCN1CCC(Nc2nc(C3CC3)nc3[nH]ccc32)CC1 ZINC000631109149 351966782 /nfs/dbraw/zinc/96/67/82/351966782.db2.gz LTERMGWZTUCWOW-UHFFFAOYSA-N 0 3 297.406 2.320 20 30 CEEDHN C=CCN1CCC(Nc2nccn3nc(C4CC4)cc23)CC1 ZINC000631110128 351968344 /nfs/dbraw/zinc/96/83/44/351968344.db2.gz VWMWCUQAISLCLS-UHFFFAOYSA-N 0 3 297.406 2.091 20 30 CEEDHN C=C(C)CNCc1ccc(OCCN2CCOCC2)cc1 ZINC000631131377 351980002 /nfs/dbraw/zinc/98/00/02/351980002.db2.gz LNNATALCXVCWGB-UHFFFAOYSA-N 0 3 290.407 2.063 20 30 CEEDHN C=C1CC(C)(C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000631147077 351986222 /nfs/dbraw/zinc/98/62/22/351986222.db2.gz IJWJQUHIEDHHEN-UHFFFAOYSA-N 0 3 294.439 2.348 20 30 CEEDHN CC(C#N)C(=O)NCc1cc(Br)cs1 ZINC000070600122 363100868 /nfs/dbraw/zinc/10/08/68/363100868.db2.gz AEQUVAZKVSYMCW-LURJTMIESA-N 0 3 273.155 2.286 20 30 CEEDHN COc1ccc(CN2CCC[C@H]2C[C@H](C)O)cc1C#N ZINC000152905954 188052315 /nfs/dbraw/zinc/05/23/15/188052315.db2.gz CMGLANKWYWVGFP-WFASDCNBSA-N 0 3 274.364 2.302 20 30 CEEDHN CC(=O)N1CCC(N[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000336444769 213308039 /nfs/dbraw/zinc/30/80/39/213308039.db2.gz YEDWDBIDGUKBAF-NSHDSACASA-N 0 3 289.354 2.359 20 30 CEEDHN C#CCOc1ccc([C@@H](C)NCCn2ccnc2)cc1 ZINC000155676057 188220346 /nfs/dbraw/zinc/22/03/46/188220346.db2.gz LCWQJMNZMSTBPP-CQSZACIVSA-N 0 3 269.348 2.246 20 30 CEEDHN C=C(C)CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000156755711 188280271 /nfs/dbraw/zinc/28/02/71/188280271.db2.gz QYMONAVZRZIJPF-HNNXBMFYSA-N 0 3 275.396 2.473 20 30 CEEDHN C[C@H]1C[C@@H](N(C)CC#N)CCN1Cc1ccccc1 ZINC000156978284 188290966 /nfs/dbraw/zinc/29/09/66/188290966.db2.gz HYPXRSXOKYLWPU-HOCLYGCPSA-N 0 3 257.381 2.495 20 30 CEEDHN CC(C)C(=O)NCCN(C)[C@@H](C)c1ccc(C#N)cc1 ZINC000157553547 188324893 /nfs/dbraw/zinc/32/48/93/188324893.db2.gz FJVYXFJFTNCICM-ZDUSSCGKSA-N 0 3 273.380 2.323 20 30 CEEDHN C#CC[C@H](NC[C@@H](O)COC(C)C)c1ccccc1 ZINC000271688717 191277251 /nfs/dbraw/zinc/27/72/51/191277251.db2.gz JYTZTSVSBXHSAO-CVEARBPZSA-N 0 3 261.365 2.127 20 30 CEEDHN C=CCNC(=O)CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000337413164 366147777 /nfs/dbraw/zinc/14/77/77/366147777.db2.gz OHNLPFRDADFVPO-OAHLLOKOSA-N 0 3 264.344 2.415 20 30 CEEDHN C=CCn1c(CCCC)nnc1N1CCN2CCC[C@@H]2C1 ZINC000337903728 366182183 /nfs/dbraw/zinc/18/21/83/366182183.db2.gz LHDRNOOMURTYDY-CQSZACIVSA-N 0 3 289.427 2.091 20 30 CEEDHN C=CCNC(=O)CN[C@@H](C)CCc1c(F)cccc1F ZINC000337998138 366188712 /nfs/dbraw/zinc/18/87/12/366188712.db2.gz QSDVLYGLXRIJEH-NSHDSACASA-N 0 3 282.334 2.178 20 30 CEEDHN N#Cc1c(Cl)nsc1N1CC[C@H](N2CCCC2)C1 ZINC000301149866 283074083 /nfs/dbraw/zinc/07/40/83/283074083.db2.gz MCUMSOMMACNBIP-VIFPVBQESA-N 0 3 282.800 2.343 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000133649015 366243980 /nfs/dbraw/zinc/24/39/80/366243980.db2.gz YZWHZKFUEATXHO-NVXWUHKLSA-N 0 3 297.402 2.423 20 30 CEEDHN CC[C@@H](C(=O)NCC#Cc1cccc(F)c1)N(CC)CC ZINC000338240928 366246825 /nfs/dbraw/zinc/24/68/25/366246825.db2.gz XONHZHDYUITMOT-INIZCTEOSA-N 0 3 290.382 2.414 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@@H](N)[C@H](C)CC ZINC000236948838 370663404 /nfs/dbraw/zinc/66/34/04/370663404.db2.gz RIAQRVDSGSIZHF-DOMZBBRYSA-N 0 3 276.380 2.241 20 30 CEEDHN N#Cc1cnc(N2CC[C@H](N3CCCCC3)C2)c(F)c1 ZINC000413134455 283233931 /nfs/dbraw/zinc/23/39/31/283233931.db2.gz LIRLIWCZRLTDFM-ZDUSSCGKSA-N 0 3 274.343 2.157 20 30 CEEDHN CCCN(CCN(C)C)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000491913397 290549785 /nfs/dbraw/zinc/54/97/85/290549785.db2.gz IRZWSKQCEKLLSE-MDZDMXLPSA-N 0 3 285.391 2.372 20 30 CEEDHN N#Cc1ncccc1N1CC[C@@H](N2CCCCC2)C1 ZINC000130006207 283254324 /nfs/dbraw/zinc/25/43/24/283254324.db2.gz NFTHSLBZUQYYGJ-CYBMUJFWSA-N 0 3 256.353 2.018 20 30 CEEDHN CN(C)[C@@H]1CCOc2c(Nc3cnc(C#N)cn3)cccc21 ZINC000570760132 299276106 /nfs/dbraw/zinc/27/61/06/299276106.db2.gz NYTSJKPWNRZGHG-CQSZACIVSA-N 0 3 295.346 2.477 20 30 CEEDHN N#CCCC1CCN(C[C@H](O)COCc2ccco2)CC1 ZINC000578189846 366456477 /nfs/dbraw/zinc/45/64/77/366456477.db2.gz FHASSWGHPSELHR-HNNXBMFYSA-N 0 3 292.379 2.173 20 30 CEEDHN N#CCCCCN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000136129034 366497357 /nfs/dbraw/zinc/49/73/57/366497357.db2.gz VQFRNZVWKMHEAZ-ZDUSSCGKSA-N 0 3 273.384 2.486 20 30 CEEDHN C[C@H]1CCC[C@H](CO)N1CCOc1ccccc1C#N ZINC000136168525 366500078 /nfs/dbraw/zinc/50/00/78/366500078.db2.gz OTFJSLILUPNNLU-DZGCQCFKSA-N 0 3 274.364 2.172 20 30 CEEDHN C=C[C@@](C)(O)C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000668032290 540557113 /nfs/dbraw/zinc/55/71/13/540557113.db2.gz ZAQBHFTXKRMSAB-QGZVFWFLSA-N 0 3 290.407 2.034 20 30 CEEDHN C=CCOCCN1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC000338945282 366582116 /nfs/dbraw/zinc/58/21/16/366582116.db2.gz VGXYDYDZZVZRPN-HUUCEWRRSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCN(CC=C)[C@H](CNCc1cncn1C)C(C)C ZINC000150951065 366607095 /nfs/dbraw/zinc/60/70/95/366607095.db2.gz QMRWUNOUCWMWDQ-MRXNPFEDSA-N 0 3 276.428 2.208 20 30 CEEDHN N#Cc1ccccc1-c1ccc(CN(CCO)CCO)cc1 ZINC000298172358 200352478 /nfs/dbraw/zinc/35/24/78/200352478.db2.gz QQMGMISFYPDGKC-UHFFFAOYSA-N 0 3 296.370 2.012 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@](C)(CO)C(C)C ZINC000352897932 219724877 /nfs/dbraw/zinc/72/48/77/219724877.db2.gz ZNAHIPMHLJSFEB-OAHLLOKOSA-N 0 3 262.353 2.063 20 30 CEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)cc1 ZINC000177800278 189070961 /nfs/dbraw/zinc/07/09/61/189070961.db2.gz PDJDWBWJUHPVOF-CVEARBPZSA-N 0 3 283.375 2.257 20 30 CEEDHN C=CCOc1cccc(CNCCc2nncn2CC)c1 ZINC000674717080 540770440 /nfs/dbraw/zinc/77/04/40/540770440.db2.gz CSCGJXOUBOTUEF-UHFFFAOYSA-N 0 3 286.379 2.195 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)NCC#Cc1ccccc1 ZINC000675177563 540812840 /nfs/dbraw/zinc/81/28/40/540812840.db2.gz JOYCZFWUGOPUFU-QGZVFWFLSA-N 0 3 299.418 2.212 20 30 CEEDHN Cn1cc(CN[C@H]2CCCOC2)c(-c2ccc(C#N)cc2)n1 ZINC000180177205 189241435 /nfs/dbraw/zinc/24/14/35/189241435.db2.gz YNSLDHUWYZPTNH-INIZCTEOSA-N 0 3 296.374 2.227 20 30 CEEDHN CCC#C[C@H](C)N1CCC(NC(=O)C(C)C)CC1 ZINC000677048473 540976090 /nfs/dbraw/zinc/97/60/90/540976090.db2.gz YSFJFGDHERMFFZ-ZDUSSCGKSA-N 0 3 250.386 2.025 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000677476456 541017740 /nfs/dbraw/zinc/01/77/40/541017740.db2.gz PNDWZWZGAQPMJL-INIZCTEOSA-N 0 3 288.391 2.274 20 30 CEEDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cccc(C#N)c1)CC2 ZINC000181664693 189303609 /nfs/dbraw/zinc/30/36/09/189303609.db2.gz FVIJVNSIMPFSEP-ABAIWWIYSA-N 0 3 281.363 2.124 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC[C@H](Nc2ccccc2)C1 ZINC000678049469 541071941 /nfs/dbraw/zinc/07/19/41/541071941.db2.gz KQAKPHNKLZTAFF-HOTGVXAUSA-N 0 3 260.381 2.500 20 30 CEEDHN C=CCCOCCNC(=O)c1cccc(CN(C)C)c1 ZINC000155210692 366811013 /nfs/dbraw/zinc/81/10/13/366811013.db2.gz MYHKDUOEOZDHAK-UHFFFAOYSA-N 0 3 276.380 2.071 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1cncc(Br)c1 ZINC000580962763 366782702 /nfs/dbraw/zinc/78/27/02/366782702.db2.gz IBLWNYJCQQUCMR-BXKDBHETSA-N 0 3 285.185 2.432 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2cc(C)ccn2)CC1 ZINC000184187953 189378566 /nfs/dbraw/zinc/37/85/66/189378566.db2.gz BRLFLHHLJDHBCL-UHFFFAOYSA-N 0 3 274.368 2.162 20 30 CEEDHN C=CCc1cc(CN[C@@H](CO)CC=C)cc(OC)c1O ZINC000184287193 189382111 /nfs/dbraw/zinc/38/21/11/189382111.db2.gz XPIQLQONUBNGFT-CQSZACIVSA-N 0 3 277.364 2.156 20 30 CEEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)C[S@@](C)=O)cc1 ZINC000184293754 189382725 /nfs/dbraw/zinc/38/27/25/189382725.db2.gz PHLHGLHJVLADAL-WTOJCKNJSA-N 0 3 279.405 2.116 20 30 CEEDHN COc1ccc(CN2CCN(CC3CC3)CC2)cc1C#N ZINC000087833244 363872400 /nfs/dbraw/zinc/87/24/00/363872400.db2.gz OQEMPTHXDHXYKB-UHFFFAOYSA-N 0 3 285.391 2.094 20 30 CEEDHN C=C(C)COCCN[C@H](COC)Cc1ccccc1 ZINC000090451182 364058338 /nfs/dbraw/zinc/05/83/38/364058338.db2.gz KDZRQTKSIZAPGV-INIZCTEOSA-N 0 3 263.381 2.426 20 30 CEEDHN C=C(C)COCCN[C@@H](COC)Cc1ccccc1 ZINC000090451183 364058415 /nfs/dbraw/zinc/05/84/15/364058415.db2.gz KDZRQTKSIZAPGV-MRXNPFEDSA-N 0 3 263.381 2.426 20 30 CEEDHN C[C@@H]1C[C@H](Nc2nc3c(cc2C#N)CCC3)CCN1C ZINC000090795378 364065140 /nfs/dbraw/zinc/06/51/40/364065140.db2.gz IVDNLKRFSDCVGE-BXUZGUMPSA-N 0 3 270.380 2.337 20 30 CEEDHN CN(Cc1cc(C#N)cs1)CC1CCOCC1 ZINC000093315019 364161226 /nfs/dbraw/zinc/16/12/26/364161226.db2.gz AEDLVIONOCQAHP-UHFFFAOYSA-N 0 3 250.367 2.478 20 30 CEEDHN COC(=O)C(C)(C)CN[C@H](C)c1ccc(C#N)cc1 ZINC000093715730 364219823 /nfs/dbraw/zinc/21/98/23/364219823.db2.gz UNDVVGPRNIDACF-LLVKDONJSA-N 0 3 260.337 2.408 20 30 CEEDHN CO[C@H]1CCN(Cc2ccc(C#N)s2)C[C@@H]1C ZINC000334738539 364252879 /nfs/dbraw/zinc/25/28/79/364252879.db2.gz NOGXXQYKEQAVKD-GWCFXTLKSA-N 0 3 250.367 2.477 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000334992880 364320826 /nfs/dbraw/zinc/32/08/26/364320826.db2.gz WISHKHUJYHSLDE-OCCSQVGLSA-N 0 3 286.379 2.471 20 30 CEEDHN C#CCOc1ccccc1CNC[C@H](CC)CCO ZINC000094949547 364315157 /nfs/dbraw/zinc/31/51/57/364315157.db2.gz RMWCKDBLJQHSGN-CQSZACIVSA-N 0 3 261.365 2.197 20 30 CEEDHN CC#CCN1CCC[C@H](C(=O)N[C@H](C)CCC)C1 ZINC000157860920 366849330 /nfs/dbraw/zinc/84/93/30/366849330.db2.gz LZLSJOJCCGTYGO-KGLIPLIRSA-N 0 3 250.386 2.027 20 30 CEEDHN CC(C)CCN(CCC#N)C(=O)CN(C)C(C)C ZINC000103439936 364653508 /nfs/dbraw/zinc/65/35/08/364653508.db2.gz VOPPSZHZMNEWIG-UHFFFAOYSA-N 0 3 253.390 2.115 20 30 CEEDHN C[C@H](CC#N)N(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000103441482 364654852 /nfs/dbraw/zinc/65/48/52/364654852.db2.gz KYMAQSBKTXTABM-GFCCVEGCSA-N 0 3 259.353 2.122 20 30 CEEDHN Cn1cc(CN2CC[C@H](c3cccnc3)C2)cc1C#N ZINC000335445383 364745163 /nfs/dbraw/zinc/74/51/63/364745163.db2.gz VRBIDYJRQHFXRH-HNNXBMFYSA-N 0 3 266.348 2.281 20 30 CEEDHN Cn1cc(CN2CCC[C@@H]([C@H]3CCOC3)C2)cc1C#N ZINC000335702918 364855953 /nfs/dbraw/zinc/85/59/53/364855953.db2.gz BGKUHNHGJHIKTK-CABCVRRESA-N 0 3 273.380 2.145 20 30 CEEDHN N#C[C@H]1CC[C@H](N2CCSC3(CCOCC3)C2)C1 ZINC000335668720 364821212 /nfs/dbraw/zinc/82/12/12/364821212.db2.gz GOYQNUGLHAAIEK-STQMWFEESA-N 0 3 266.410 2.277 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CCC(C#N)CC1 ZINC000113406734 364893644 /nfs/dbraw/zinc/89/36/44/364893644.db2.gz OCSWJLLANSCDGY-OAHLLOKOSA-N 0 3 292.427 2.196 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000680427305 541411487 /nfs/dbraw/zinc/41/14/87/541411487.db2.gz RVFSJJIWXUGCGO-CQJJVWNLSA-N 0 3 261.365 2.466 20 30 CEEDHN C=CC[C@H](CO)NCc1c[nH]nc1-c1ccc(OC)cc1 ZINC000680484767 541418784 /nfs/dbraw/zinc/41/87/84/541418784.db2.gz NRDJEJKAQFXMGE-CQSZACIVSA-N 0 3 287.363 2.112 20 30 CEEDHN C#CCN[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C ZINC000114488021 364950009 /nfs/dbraw/zinc/95/00/09/364950009.db2.gz NPEKQDTVHQEUIQ-AWEZNQCLSA-N 0 3 254.374 2.149 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CCN1C ZINC000335848532 365065882 /nfs/dbraw/zinc/06/58/82/365065882.db2.gz HNVBTBOXCGGCSP-BBRMVZONSA-N 0 3 297.402 2.189 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@H](SC)C2)CC1 ZINC000117221252 365096076 /nfs/dbraw/zinc/09/60/76/365096076.db2.gz VZZXWCHMDHWIJQ-GJZGRUSLSA-N 0 3 294.464 2.122 20 30 CEEDHN CC[C@@H]1CCCN(CC(=O)N(CC)CCC#N)CC1 ZINC000117344012 365103749 /nfs/dbraw/zinc/10/37/49/365103749.db2.gz YROGDYMIVYOKPF-CQSZACIVSA-N 0 3 265.401 2.261 20 30 CEEDHN C=CCCCN(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000117878078 365130211 /nfs/dbraw/zinc/13/02/11/365130211.db2.gz GOSAPPKJDAFHGY-LBPRGKRZSA-N 0 3 282.409 2.293 20 30 CEEDHN CCc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(C#N)cc1)CC2 ZINC000118398324 365154163 /nfs/dbraw/zinc/15/41/63/365154163.db2.gz RNOCZNSRPQZQJG-IUODEOHRSA-N 0 3 295.390 2.378 20 30 CEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(C#N)cs1 ZINC000335917204 365158809 /nfs/dbraw/zinc/15/88/09/365158809.db2.gz DVKJKWWUJVNSEY-DGCLKSJQSA-N 0 3 289.404 2.319 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000119020063 365201058 /nfs/dbraw/zinc/20/10/58/365201058.db2.gz WKYDEPXISVLEIU-YIYPIFLZSA-N 0 3 265.401 2.256 20 30 CEEDHN CS[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1N(C)C ZINC000336038501 365323810 /nfs/dbraw/zinc/32/38/10/365323810.db2.gz XISAUSNWWKYYPA-ZIAGYGMSSA-N 0 3 279.384 2.179 20 30 CEEDHN C=CCN[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000275768636 193124098 /nfs/dbraw/zinc/12/40/98/193124098.db2.gz UOAZTLJGRSEJGC-NSHDSACASA-N 0 3 253.367 2.317 20 30 CEEDHN C=CCC(CC=C)C(=O)NCC1(N(C)C)CCC1 ZINC000275800525 193130447 /nfs/dbraw/zinc/13/04/47/193130447.db2.gz CMCFCGLDYFAVBW-UHFFFAOYSA-N 0 3 250.386 2.355 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)NCC1(N(C)C)CCC1 ZINC000275862233 193148777 /nfs/dbraw/zinc/14/87/77/193148777.db2.gz JDCRTUIPQOTGRW-UHFFFAOYSA-N 0 3 271.364 2.081 20 30 CEEDHN C=CCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000159225379 366891942 /nfs/dbraw/zinc/89/19/42/366891942.db2.gz WIZJIZBPBVBTGM-HIFRSBDPSA-N 0 3 273.380 2.135 20 30 CEEDHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(C#N)cc1 ZINC000368494161 299360704 /nfs/dbraw/zinc/36/07/04/299360704.db2.gz DSKYMTUDNOVAQV-CXMBCZLWSA-N 0 3 283.375 2.266 20 30 CEEDHN C[C@@H]1CCN(CCNC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000582640528 366937887 /nfs/dbraw/zinc/93/78/87/366937887.db2.gz LVMJOUVWXFOKGA-CQSZACIVSA-N 0 3 297.402 2.048 20 30 CEEDHN N#Cc1ccc(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)s1 ZINC000582972943 366985435 /nfs/dbraw/zinc/98/54/35/366985435.db2.gz LPCXLGJFOCWKQI-TUAOUCFPSA-N 0 3 262.378 2.213 20 30 CEEDHN CC(C)(C)N1CC[C@@H](NC(=O)C2(C#N)CCCC2)C1 ZINC000597923007 367209629 /nfs/dbraw/zinc/20/96/29/367209629.db2.gz ILCDCEZJCKBEIU-GFCCVEGCSA-N 0 3 263.385 2.059 20 30 CEEDHN Cc1ccc([O-])c(C[NH2+]CCc2cccc(C#N)c2)n1 ZINC000341495162 367357299 /nfs/dbraw/zinc/35/72/99/367357299.db2.gz XYTZXKJVWCTUCB-UHFFFAOYSA-N 0 3 267.332 2.300 20 30 CEEDHN C=C1CC(C)(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000631674641 367478958 /nfs/dbraw/zinc/47/89/58/367478958.db2.gz HUIIHQMQHOBZCW-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000342680744 367481284 /nfs/dbraw/zinc/48/12/84/367481284.db2.gz VFHWWCLIJBJJBO-HZSPNIEDSA-N 0 3 265.401 2.115 20 30 CEEDHN C=CCCN(C)CC(=O)N(C)CCCOc1ccccc1 ZINC000342735715 367506425 /nfs/dbraw/zinc/50/64/25/367506425.db2.gz IWUXSUFXSKCMBN-UHFFFAOYSA-N 0 3 290.407 2.422 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000171892091 367634180 /nfs/dbraw/zinc/63/41/80/367634180.db2.gz RFXJKPBSUNCAEQ-AWEZNQCLSA-N 0 3 284.363 2.179 20 30 CEEDHN C=CCCC[C@@H](C)NS(=O)(=O)CCCN1CCCC1 ZINC000632184099 367705033 /nfs/dbraw/zinc/70/50/33/367705033.db2.gz NJFUMFWRPSRZMM-CQSZACIVSA-N 0 3 288.457 2.137 20 30 CEEDHN CC[C@H](C)N[C@H](CNc1cnc(C#N)cn1)c1ccco1 ZINC000343245192 367721906 /nfs/dbraw/zinc/72/19/06/367721906.db2.gz BTHHCNAYIKDKOC-WCQYABFASA-N 0 3 285.351 2.483 20 30 CEEDHN CN(C(=O)/C=C/c1ccccc1C#N)[C@H]1CCCN(C)C1 ZINC000172750924 367812695 /nfs/dbraw/zinc/81/26/95/367812695.db2.gz XSGVVKQSHJKWTA-SCOAYWHSSA-N 0 3 283.375 2.124 20 30 CEEDHN C[C@H](C(=O)NCCCCC#N)N1[C@H](C)CC[C@H]1C ZINC000245835605 370876550 /nfs/dbraw/zinc/87/65/50/370876550.db2.gz VLZPJLDCXLERSG-JHJVBQTASA-N 0 3 251.374 2.058 20 30 CEEDHN Cc1ccnc(N(C)[C@H]2CCN(C)C[C@@H]2C)c1C#N ZINC000343507296 367851816 /nfs/dbraw/zinc/85/18/16/367851816.db2.gz HYEOHAFHVYITNK-JSGCOSHPSA-N 0 3 258.369 2.038 20 30 CEEDHN Cc1c(Cl)cnc(N(C)CCN2CCCC2)c1C#N ZINC000343523530 367863375 /nfs/dbraw/zinc/86/33/75/367863375.db2.gz GWPHOQRGZIOBKW-UHFFFAOYSA-N 0 3 278.787 2.447 20 30 CEEDHN COC(=O)[C@@]1(C)CCN(Cc2ccc(CC#N)cc2)C1 ZINC000343608330 367914519 /nfs/dbraw/zinc/91/45/19/367914519.db2.gz KNCSPAJBQHKKAD-INIZCTEOSA-N 0 3 272.348 2.138 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCCS2)CC1 ZINC000343766466 367993720 /nfs/dbraw/zinc/99/37/20/367993720.db2.gz NHKMDLCDDGTLOH-AWEZNQCLSA-N 0 3 297.468 2.222 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CCN(C)CC[C@@H]1C ZINC000343812044 368017348 /nfs/dbraw/zinc/01/73/48/368017348.db2.gz KEYXMYRTTXTUJX-KBPBESRZSA-N 0 3 267.417 2.467 20 30 CEEDHN C#CCOc1ccccc1CN(C)[C@H]1CC[C@H](O)CC1 ZINC000275947442 193170996 /nfs/dbraw/zinc/17/09/96/193170996.db2.gz IYGHZCSKRLQFSU-WKILWMFISA-N 0 3 273.376 2.434 20 30 CEEDHN CC(C)CN1CCO[C@@H](CNCc2cc(C#N)cs2)C1 ZINC000177681456 368278486 /nfs/dbraw/zinc/27/84/86/368278486.db2.gz BCBRNKCJAHGZQX-AWEZNQCLSA-N 0 3 293.436 2.066 20 30 CEEDHN C[C@@]1(CO)CCC[C@@H]1NCc1cc(C#N)cs1 ZINC000304612021 201670551 /nfs/dbraw/zinc/67/05/51/201670551.db2.gz FLEFJMHJQDMMIL-STQMWFEESA-N 0 3 250.367 2.260 20 30 CEEDHN CCN(CCC#N)C(=O)CN[C@H](C)c1ccccc1 ZINC000181346327 368446157 /nfs/dbraw/zinc/44/61/57/368446157.db2.gz PFSIGKZAQSFPNK-CYBMUJFWSA-N 0 3 259.353 2.099 20 30 CEEDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000346171748 368574635 /nfs/dbraw/zinc/57/46/35/368574635.db2.gz BFQMGVNIQCYYSR-GRDNDAEWSA-N 0 3 297.402 2.361 20 30 CEEDHN C[C@@H](C#N)CNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000182871327 368597061 /nfs/dbraw/zinc/59/70/61/368597061.db2.gz FKUQPRIZEQQJQR-AWEZNQCLSA-N 0 3 294.443 2.300 20 30 CEEDHN CCN1C[C@@H](C)N(CCOc2cccc(C#N)c2)C[C@H]1C ZINC000346179567 368581150 /nfs/dbraw/zinc/58/11/50/368581150.db2.gz XPJZBKWTJOHCHB-HUUCEWRRSA-N 0 3 287.407 2.352 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC000346154213 368565203 /nfs/dbraw/zinc/56/52/03/368565203.db2.gz DCYYKRPYOUHMJB-ZIAGYGMSSA-N 0 3 287.407 2.481 20 30 CEEDHN C[C@@H](NCC1(C(N)=O)CCCC1)c1ccc(C#N)c(F)c1 ZINC000346227405 368598999 /nfs/dbraw/zinc/59/89/99/368598999.db2.gz YNLQFLDSGBNHIL-LLVKDONJSA-N 0 3 289.354 2.394 20 30 CEEDHN C=C[C@H](C)N[C@H](C)c1ccccc1OCC(=O)OC ZINC000346546835 368712398 /nfs/dbraw/zinc/71/23/98/368712398.db2.gz AJTHGJYIPMVSKF-NWDGAFQWSA-N 0 3 263.337 2.464 20 30 CEEDHN CCOC(=O)N1CC[C@H](N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000185034226 368738385 /nfs/dbraw/zinc/73/83/85/368738385.db2.gz BQYQIQOURYKMQX-DOMZBBRYSA-N 0 3 287.363 2.440 20 30 CEEDHN CN(Cc1ccc(C#N)s1)[C@H]1CC[C@H](O)CC1 ZINC000276010591 193187033 /nfs/dbraw/zinc/18/70/33/193187033.db2.gz OKIJMUIQWBCCEW-XYPYZODXSA-N 0 3 250.367 2.355 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@](C)(OC)C1 ZINC000348207786 368950674 /nfs/dbraw/zinc/95/06/74/368950674.db2.gz YIXRZBFDXLCINJ-GDBMZVCRSA-N 0 3 282.428 2.300 20 30 CEEDHN N#CCCNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000348364652 369019317 /nfs/dbraw/zinc/01/93/17/369019317.db2.gz BXGLWNXBJPPBCB-UHFFFAOYSA-N 0 3 254.337 2.030 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CCCC3(CC3)C2)cc1 ZINC000186950988 369074709 /nfs/dbraw/zinc/07/47/09/369074709.db2.gz NXGMGCURYRJUDM-OAHLLOKOSA-N 0 3 256.349 2.468 20 30 CEEDHN CC[C@@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000330714407 203143750 /nfs/dbraw/zinc/14/37/50/203143750.db2.gz ZZCVCTJDORZBJQ-CQSZACIVSA-N 0 3 285.391 2.296 20 30 CEEDHN C=CCCN(C)[C@H](C)C(=O)NCCOc1cccc(C)c1 ZINC000276072681 193205337 /nfs/dbraw/zinc/20/53/37/193205337.db2.gz AEUITKOEZNVCCB-OAHLLOKOSA-N 0 3 290.407 2.386 20 30 CEEDHN N#Cc1csc(CNCC[C@H](O)C(F)(F)F)c1 ZINC000349302497 369292948 /nfs/dbraw/zinc/29/29/48/369292948.db2.gz XFGFDJNIWWYDEL-VIFPVBQESA-N 0 3 264.272 2.023 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000349746205 369384944 /nfs/dbraw/zinc/38/49/44/369384944.db2.gz OYRPAHLZEPJXTH-SMDDNHRTSA-N 0 3 292.379 2.241 20 30 CEEDHN COc1cc(OC)c(OC)cc1CN[C@H]1CC[C@H](C#N)C1 ZINC000349792409 369402090 /nfs/dbraw/zinc/40/20/90/369402090.db2.gz SKDUMVLFMYQOAH-AAEUAGOBSA-N 0 3 290.363 2.494 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](C)[C@@H]1C ZINC000246479220 370966513 /nfs/dbraw/zinc/96/65/13/370966513.db2.gz AAHOKCLCWPAUHJ-KBPBESRZSA-N 0 3 250.386 2.307 20 30 CEEDHN CC[C@]1(CO)CCCN1Cc1ccc(OC)c(C#N)c1 ZINC000189606865 369545962 /nfs/dbraw/zinc/54/59/62/369545962.db2.gz KEMFLRQUCXMLEV-MRXNPFEDSA-N 0 3 274.364 2.304 20 30 CEEDHN COCCO[C@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000190047279 369590684 /nfs/dbraw/zinc/59/06/84/369590684.db2.gz XCDYOYYOZSGXIF-CJNGLKHVSA-N 0 3 274.364 2.357 20 30 CEEDHN C[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)[C@@H]1CO ZINC000190344507 369615740 /nfs/dbraw/zinc/61/57/40/369615740.db2.gz TWXZWPORNZSOEK-IUODEOHRSA-N 0 3 263.768 2.394 20 30 CEEDHN CCC(CC)[C@@H]1C[C@H](NC(=O)C(C)C#N)CCO1 ZINC000351603159 369643076 /nfs/dbraw/zinc/64/30/76/369643076.db2.gz VLRGDDGGYJCHLS-UHTWSYAYSA-N 0 3 252.358 2.246 20 30 CEEDHN CCC(CC)[C@@H]1C[C@@H](NC(=O)C(C)C#N)CCO1 ZINC000351603157 369643431 /nfs/dbraw/zinc/64/34/31/369643431.db2.gz VLRGDDGGYJCHLS-DRZSPHRISA-N 0 3 252.358 2.246 20 30 CEEDHN CO[C@H](CNCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000190848212 369656571 /nfs/dbraw/zinc/65/65/71/369656571.db2.gz CSLWJVDFVFCXLN-MRXNPFEDSA-N 0 3 269.348 2.374 20 30 CEEDHN CN(CCNCc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000190852208 369656994 /nfs/dbraw/zinc/65/69/94/369656994.db2.gz WARWWIDLKYJPRD-UHFFFAOYSA-N 0 3 282.391 2.118 20 30 CEEDHN C[C@H](NCc1cc(C#N)n(C)c1)[C@@H](O)c1ccc(F)cc1 ZINC000191088691 369677616 /nfs/dbraw/zinc/67/76/16/369677616.db2.gz TWQKMESMNZCJDV-MEDUHNTESA-N 0 3 287.338 2.248 20 30 CEEDHN C=CCN(CCOC)CCOc1ccccc1OC ZINC000191145327 369684084 /nfs/dbraw/zinc/68/40/84/369684084.db2.gz CJZQNXLDMNWAFP-UHFFFAOYSA-N 0 3 265.353 2.208 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(C2CC2)C2CC2)CC1 ZINC000636739211 369725740 /nfs/dbraw/zinc/72/57/40/369725740.db2.gz GNMFURHBHSGALA-UHFFFAOYSA-N 0 3 277.412 2.363 20 30 CEEDHN Cn1cc(CNCc2ccc(C(C)(C)O)cc2)cc1C#N ZINC000191615766 369726510 /nfs/dbraw/zinc/72/65/10/369726510.db2.gz HEEKXALQWDGTDN-UHFFFAOYSA-N 0 3 283.375 2.414 20 30 CEEDHN C#CCN(C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000276568421 193384348 /nfs/dbraw/zinc/38/43/48/193384348.db2.gz BAJUZZQSTSMZJS-UHFFFAOYSA-N 0 3 270.376 2.378 20 30 CEEDHN CCN1CCN(Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000352666760 369824082 /nfs/dbraw/zinc/82/40/82/369824082.db2.gz IGZKHXGZOIJXHW-CQSZACIVSA-N 0 3 257.381 2.393 20 30 CEEDHN Cc1oc(NC(=O)CN[C@@H]2CSC[C@H]2C)c(C#N)c1C ZINC000352819068 369895170 /nfs/dbraw/zinc/89/51/70/369895170.db2.gz WFSUXLLHDPERNB-PRHODGIISA-N 0 3 293.392 2.048 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000637322202 369900276 /nfs/dbraw/zinc/90/02/76/369900276.db2.gz SQZJAKDKNOACRH-ZIAGYGMSSA-N 0 3 279.428 2.324 20 30 CEEDHN CN(C)[C@H](CNCc1nc(C#N)cs1)c1ccccc1 ZINC000352851916 369914119 /nfs/dbraw/zinc/91/41/19/369914119.db2.gz JBYXNGHFWREXRL-CQSZACIVSA-N 0 3 286.404 2.407 20 30 CEEDHN Cc1cc2[nH]c(CNCCn3cnc(C#N)n3)cc2c(C)c1 ZINC000353051622 370000959 /nfs/dbraw/zinc/00/09/59/370000959.db2.gz ZNOHNXSFQPPWJP-UHFFFAOYSA-N 0 3 294.362 2.038 20 30 CEEDHN COc1ccc(CNC[C@H](O)c2ccsc2)cc1C#N ZINC000230664872 370462634 /nfs/dbraw/zinc/46/26/34/370462634.db2.gz KYEMXYYNBILTSA-AWEZNQCLSA-N 0 3 288.372 2.452 20 30 CEEDHN C=CCC1(C(=O)N2CCO[C@H]3CCN(CC)C[C@H]32)CCC1 ZINC000355368316 370555541 /nfs/dbraw/zinc/55/55/41/370555541.db2.gz LEOBUZMLQHYZTA-CABCVRRESA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCN1CCC(NC(=O)c2nc(C)c(C)s2)CC1 ZINC000683547149 541828559 /nfs/dbraw/zinc/82/85/59/541828559.db2.gz MBLDRHXHHOWCDM-UHFFFAOYSA-N 0 3 279.409 2.140 20 30 CEEDHN C=C(CC)CN(C)CCN1C(=O)c2ccccc2C1=O ZINC000358620223 371141272 /nfs/dbraw/zinc/14/12/72/371141272.db2.gz KJKRZUYHMVJOPY-UHFFFAOYSA-N 0 3 272.348 2.181 20 30 CEEDHN C=CCC[C@H](O)CN[C@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000247409912 371104175 /nfs/dbraw/zinc/10/41/75/371104175.db2.gz MNFVBFSAKLPERC-BPUTZDHNSA-N 0 3 291.391 2.454 20 30 CEEDHN C=CCN(CCOC)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000358546938 371110484 /nfs/dbraw/zinc/11/04/84/371110484.db2.gz PFJRFADSTSOYCZ-HUUCEWRRSA-N 0 3 297.443 2.093 20 30 CEEDHN CCCN(CCN1CCCC1)C(=O)c1cc(C#N)oc1C ZINC000287309829 376203205 /nfs/dbraw/zinc/20/32/05/376203205.db2.gz LUCJBBFSMWFFOM-UHFFFAOYSA-N 0 3 289.379 2.408 20 30 CEEDHN N#CC1CCN(CCCO[C@@H]2CCCCO2)CC1 ZINC000358805205 371227646 /nfs/dbraw/zinc/22/76/46/371227646.db2.gz KDRIZSQKCOGMCM-CQSZACIVSA-N 0 3 252.358 2.155 20 30 CEEDHN CC(=O)NC[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249148465 371302594 /nfs/dbraw/zinc/30/25/94/371302594.db2.gz VMUCWADSYGDUJV-CJNGLKHVSA-N 0 3 285.391 2.467 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](C)C1 ZINC000249354465 371314315 /nfs/dbraw/zinc/31/43/15/371314315.db2.gz YFGWVISKEDANRC-UONOGXRCSA-N 0 3 250.386 2.307 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000639748443 371541198 /nfs/dbraw/zinc/54/11/98/371541198.db2.gz FJDIQJXATULQRB-OAHLLOKOSA-N 0 3 295.471 2.073 20 30 CEEDHN C=CCC1(NCC(=O)Nc2ccccn2)CCCC1 ZINC000639826576 371601863 /nfs/dbraw/zinc/60/18/63/371601863.db2.gz GXIGYJWMIXVCBH-UHFFFAOYSA-N 0 3 259.353 2.499 20 30 CEEDHN C=CCC[C@@H](O)CN[C@@H](c1ccncc1)C1(CO)CCC1 ZINC000639876333 371632560 /nfs/dbraw/zinc/63/25/60/371632560.db2.gz OUWDNEWYSVIZCC-CVEARBPZSA-N 0 3 290.407 2.202 20 30 CEEDHN N#Cc1ccncc1NC[C@@H]1NCCc2ccccc21 ZINC000261783104 371730507 /nfs/dbraw/zinc/73/05/07/371730507.db2.gz PSLMXTGWSYVUJO-INIZCTEOSA-N 0 3 264.332 2.252 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000361327908 371783523 /nfs/dbraw/zinc/78/35/23/371783523.db2.gz DPYFRWRJGVBJIV-XBFCOCLRSA-N 0 3 258.321 2.183 20 30 CEEDHN CC#CCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000361332659 371788888 /nfs/dbraw/zinc/78/88/88/371788888.db2.gz URMJCXRGOJPZAP-QGZVFWFLSA-N 0 3 299.418 2.364 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CCC2(C1)CCC(C)CC2 ZINC000361564818 371929241 /nfs/dbraw/zinc/92/92/41/371929241.db2.gz QQTHTBSHYIUKIB-NPCAHTBFSA-N 0 3 262.397 2.027 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(CC1CC1)C1CCC1 ZINC000361585077 371947771 /nfs/dbraw/zinc/94/77/71/371947771.db2.gz GRARSQXJAHQRHY-INIZCTEOSA-N 0 3 277.412 2.305 20 30 CEEDHN CCCCCN1CCN(c2cc(C#N)ccn2)CC1 ZINC000265430795 372019526 /nfs/dbraw/zinc/01/95/26/372019526.db2.gz FOWNFLMSEGCGDN-UHFFFAOYSA-N 0 3 258.369 2.265 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H](C)CCSC ZINC000265518574 372021202 /nfs/dbraw/zinc/02/12/02/372021202.db2.gz QXWNXPNJHRDMBJ-ZDUSSCGKSA-N 0 3 270.442 2.260 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)[C@@]1(F)CCNC1 ZINC000361698571 372028290 /nfs/dbraw/zinc/02/82/90/372028290.db2.gz AVZJMDZOGURHAF-OAHLLOKOSA-N 0 3 280.318 2.042 20 30 CEEDHN CCN1C[C@@H](C)N(CC#Cc2ccccc2)C[C@@H]1C ZINC000361865291 372106620 /nfs/dbraw/zinc/10/66/20/372106620.db2.gz MKEAUALRZJLPKM-JKSUJKDBSA-N 0 3 256.393 2.453 20 30 CEEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(C3CC3)C2)CCC1 ZINC000361770082 372063272 /nfs/dbraw/zinc/06/32/72/372063272.db2.gz AGOVHAXZVKLFQX-AWEZNQCLSA-N 0 3 262.397 2.428 20 30 CEEDHN C[C@@H](C(=O)NC1(CN(C)C)CCC1)c1cccc(C#N)c1 ZINC000362191165 372264301 /nfs/dbraw/zinc/26/43/01/372264301.db2.gz PQYNMVCAZPTZLZ-CYBMUJFWSA-N 0 3 285.391 2.262 20 30 CEEDHN C=C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000362370299 372334534 /nfs/dbraw/zinc/33/45/34/372334534.db2.gz KJUIXBIKFYPSOO-JSGCOSHPSA-N 0 3 261.369 2.163 20 30 CEEDHN C=CCN1CCC(Nc2cc(C3CC3)ncn2)CC1 ZINC000641359414 372461706 /nfs/dbraw/zinc/46/17/06/372461706.db2.gz PLTUYROOHFPGKD-UHFFFAOYSA-N 0 3 258.369 2.416 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C[C@H](O)C(C)C)C(C)C ZINC000269724617 372548759 /nfs/dbraw/zinc/54/87/59/372548759.db2.gz VYDSIVKMEWXLHJ-HOTGVXAUSA-N 0 3 296.455 2.208 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc(OCC)c(F)c1 ZINC000641768007 372707576 /nfs/dbraw/zinc/70/75/76/372707576.db2.gz UBHVVPHVGKFNNN-ZDUSSCGKSA-N 0 3 265.328 2.088 20 30 CEEDHN CC#CC[C@@H](CO)NC/C=C\c1ccc(F)c(F)c1 ZINC000641767931 372707786 /nfs/dbraw/zinc/70/77/86/372707786.db2.gz SHWJGLAMYXHWKF-ZFDPJTLLSA-N 0 3 265.303 2.342 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccccc1OCC1CC1 ZINC000641768515 372707831 /nfs/dbraw/zinc/70/78/31/372707831.db2.gz BCAWGUCECXYKOG-MRXNPFEDSA-N 0 3 273.376 2.339 20 30 CEEDHN CS[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1N(C)C ZINC000270656585 372886289 /nfs/dbraw/zinc/88/62/89/372886289.db2.gz NFLAOTABPUIJIR-LSDHHAIUSA-N 0 3 275.421 2.036 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Cc1ccc(C#N)cc1 ZINC000344686336 217276606 /nfs/dbraw/zinc/27/66/06/217276606.db2.gz BWZSURGOERGPMH-INIZCTEOSA-N 0 3 299.418 2.337 20 30 CEEDHN COC(=O)[C@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000265537514 284369809 /nfs/dbraw/zinc/36/98/09/284369809.db2.gz QSWPDMADHWHBAO-FZMZJTMJSA-N 0 3 258.321 2.114 20 30 CEEDHN COCC#CCN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000643380686 373101706 /nfs/dbraw/zinc/10/17/06/373101706.db2.gz PVIDLGLWSUUCCR-BZUAXINKSA-N 0 3 265.397 2.042 20 30 CEEDHN CC(C)[C@H](O)C1(CNCc2ccc(C#N)cc2)CC1 ZINC000271959594 373235216 /nfs/dbraw/zinc/23/52/16/373235216.db2.gz FOVLBUCOEHQCHO-HNNXBMFYSA-N 0 3 258.365 2.445 20 30 CEEDHN COCCN1CC[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271976002 373243213 /nfs/dbraw/zinc/24/32/13/373243213.db2.gz VUGBJRHIPMBXBW-DOMZBBRYSA-N 0 3 291.370 2.069 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1cn2cccc(F)c2n1 ZINC000643793872 373267961 /nfs/dbraw/zinc/26/79/61/373267961.db2.gz FFLUIYFYOOCPLH-FZMZJTMJSA-N 0 3 275.327 2.154 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)[C@H]1NCC1(C)C ZINC000643989408 373327520 /nfs/dbraw/zinc/32/75/20/373327520.db2.gz WEUCXHDYRMJLIX-CQSZACIVSA-N 0 3 276.355 2.338 20 30 CEEDHN CCN(CCCO)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272291295 373411516 /nfs/dbraw/zinc/41/15/16/373411516.db2.gz ODMADYIVORTUSU-UHFFFAOYSA-N 0 3 298.390 2.163 20 30 CEEDHN C=CCN(CCc1ccco1)CCC1OCCCO1 ZINC000272312919 373424623 /nfs/dbraw/zinc/42/46/23/373424623.db2.gz SARZRJYJTKTXJQ-UHFFFAOYSA-N 0 3 265.353 2.463 20 30 CEEDHN COCC[C@@H](COC)N[C@H](C)c1ccc(C#N)cc1F ZINC000353625819 220201535 /nfs/dbraw/zinc/20/15/35/220201535.db2.gz HBEJRHGNPXPTJO-YPMHNXCESA-N 0 3 280.343 2.399 20 30 CEEDHN C[C@H](NC(=O)/C=C/c1ccccc1C#N)C1=CCN(C)CC1 ZINC000272630864 373591741 /nfs/dbraw/zinc/59/17/41/373591741.db2.gz BIARYASEXLEVSI-NPQIQWPPSA-N 0 3 295.386 2.338 20 30 CEEDHN COC(=O)[C@@]12CCC[C@H]1CN(Cc1ccccc1C#N)C2 ZINC000369923738 373537850 /nfs/dbraw/zinc/53/78/50/373537850.db2.gz PBUXSLVRHDMXGQ-DOTOQJQBSA-N 0 3 284.359 2.333 20 30 CEEDHN C=C(C)[C@H](CO)N[C@@H](C)[C@H]1OCCc2sccc21 ZINC000644785833 373683451 /nfs/dbraw/zinc/68/34/51/373683451.db2.gz ZVPMUCZYXZQIPS-VHRBIJSZSA-N 0 3 267.394 2.277 20 30 CEEDHN Cc1[nH]ncc1CN1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371463672 373891072 /nfs/dbraw/zinc/89/10/72/373891072.db2.gz KEBKVWAJXZMBHN-INIZCTEOSA-N 0 3 282.347 2.163 20 30 CEEDHN N#Cc1ccc2ncc(CN3CC[C@@H]([C@@H]4CCOC4)C3)n2c1 ZINC000371333098 373846263 /nfs/dbraw/zinc/84/62/63/373846263.db2.gz SNRDWMAKBXVCFO-HUUCEWRRSA-N 0 3 296.374 2.064 20 30 CEEDHN C=CCCCCN[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000274508040 373946898 /nfs/dbraw/zinc/94/68/98/373946898.db2.gz MFCLONQBIOOPEO-CQSZACIVSA-N 0 3 264.344 2.168 20 30 CEEDHN C#C[C@@H](C)NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000274716287 374023025 /nfs/dbraw/zinc/02/30/25/374023025.db2.gz CJQNAYHZIKJGGT-CYBMUJFWSA-N 0 3 256.349 2.034 20 30 CEEDHN C=CCCCCCN(C)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000371823767 373987266 /nfs/dbraw/zinc/98/72/66/373987266.db2.gz GRYVMBJMWWLXQY-MRXNPFEDSA-N 0 3 294.439 2.445 20 30 CEEDHN C#CCCCC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000277015494 374378705 /nfs/dbraw/zinc/37/87/05/374378705.db2.gz MADFWVFEXDOSNC-UHFFFAOYSA-N 0 3 284.403 2.005 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN2CCCO[C@@H]3CCC[C@H]32)cc1 ZINC000374089505 374484535 /nfs/dbraw/zinc/48/45/35/374484535.db2.gz TUGHFMSVSUWBSU-IXDOHACOSA-N 0 3 286.375 2.235 20 30 CEEDHN CC#CC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000277288924 374466654 /nfs/dbraw/zinc/46/66/54/374466654.db2.gz AAXOGQNLKWILIH-MRXNPFEDSA-N 0 3 270.376 2.181 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)CCOCC ZINC000277519841 374551002 /nfs/dbraw/zinc/55/10/02/374551002.db2.gz NWFWVCHIDLFUJR-MRXNPFEDSA-N 0 3 293.407 2.471 20 30 CEEDHN CC#CCCN1CCC[C@](CO)(c2ccccc2)C1 ZINC000374564501 374601429 /nfs/dbraw/zinc/60/14/29/374601429.db2.gz ZYZQKOCZPNVMOW-KRWDZBQOSA-N 0 3 257.377 2.426 20 30 CEEDHN CC[C@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc(C#N)cc1 ZINC000377085322 374786573 /nfs/dbraw/zinc/78/65/73/374786573.db2.gz YEOQHMXDKBNKIW-MSOLQXFVSA-N 0 3 299.418 2.462 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)[C@@]12CCCO2 ZINC000378576553 375129498 /nfs/dbraw/zinc/12/94/98/375129498.db2.gz CJQQWSZMQZXVIK-ZACQAIPSSA-N 0 3 286.375 2.374 20 30 CEEDHN COC(C)(C)CN(C)CCOc1ccccc1C#N ZINC000379273763 375150285 /nfs/dbraw/zinc/15/02/85/375150285.db2.gz XSTCQBTTZVBZNF-UHFFFAOYSA-N 0 3 262.353 2.294 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cccc(OC)c1[O-] ZINC000280580043 375250800 /nfs/dbraw/zinc/25/08/00/375250800.db2.gz HLDRADQQXYWGNF-CJNGLKHVSA-N 0 3 277.364 2.472 20 30 CEEDHN CC1(C)CC[C@H]1NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000383590983 375204269 /nfs/dbraw/zinc/20/42/69/375204269.db2.gz RJVNMXNVNDKTFX-CQSZACIVSA-N 0 3 292.404 2.110 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(Cl)cnn1C ZINC000280595550 375255198 /nfs/dbraw/zinc/25/51/98/375255198.db2.gz IVEQHTSRFSHDMH-GWCFXTLKSA-N 0 3 269.776 2.144 20 30 CEEDHN N#Cc1csc(CN2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000334259830 206271936 /nfs/dbraw/zinc/27/19/36/206271936.db2.gz VEYDLLCDCUJUJZ-OLZOCXBDSA-N 0 3 262.378 2.478 20 30 CEEDHN CN1CCN(Cc2ccc(CC#N)cc2)CC1(C)C ZINC000398973947 375354879 /nfs/dbraw/zinc/35/48/79/375354879.db2.gz AQJCCUYINIMEDZ-UHFFFAOYSA-N 0 3 257.381 2.279 20 30 CEEDHN N#Cc1ccnc(NCCN2CCc3ccccc3C2)c1 ZINC000283601050 375731550 /nfs/dbraw/zinc/73/15/50/375731550.db2.gz QRIDXKBUFUZKHU-UHFFFAOYSA-N 0 3 278.359 2.423 20 30 CEEDHN C[C@H](NCCC(C)(C)S(C)(=O)=O)c1cccc(C#N)c1 ZINC000414252690 375804731 /nfs/dbraw/zinc/80/47/31/375804731.db2.gz HXHPXEQICSPCDD-LBPRGKRZSA-N 0 3 294.420 2.422 20 30 CEEDHN C[C@H](N[C@H](CO)C[C@H](O)C(C)(C)C)c1cccc(C#N)c1 ZINC000284125790 375813725 /nfs/dbraw/zinc/81/37/25/375813725.db2.gz CQXBCOPFOXUFFA-RCBQFDQVSA-N 0 3 290.407 2.367 20 30 CEEDHN C=CCN(CC=C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415985868 376030658 /nfs/dbraw/zinc/03/06/58/376030658.db2.gz CCPMJOLOZSGJIY-UHFFFAOYSA-N 0 3 257.337 2.496 20 30 CEEDHN Cc1nsc(N(C)CCCN2CCCC2)c1C#N ZINC000287786991 376314696 /nfs/dbraw/zinc/31/46/96/376314696.db2.gz OOKXVJYEBKOLBJ-UHFFFAOYSA-N 0 3 264.398 2.245 20 30 CEEDHN Cc1nsc(N[C@H]2CN(C(C)C)C[C@H]2C)c1C#N ZINC000287937795 376344482 /nfs/dbraw/zinc/34/44/82/376344482.db2.gz RGRMBTOELQTVLE-SKDRFNHKSA-N 0 3 264.398 2.464 20 30 CEEDHN C=CCOCCN1CCC(OC)(C(F)(F)F)CC1 ZINC000419355186 376444996 /nfs/dbraw/zinc/44/49/96/376444996.db2.gz RGNSYBGWCASJKI-UHFFFAOYSA-N 0 3 267.291 2.232 20 30 CEEDHN CSCC[C@@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000305804645 376497094 /nfs/dbraw/zinc/49/70/94/376497094.db2.gz FWSZNMBEBOGUET-JQWIXIFHSA-N 0 3 282.384 2.462 20 30 CEEDHN Cc1cc(CN(C)[C@H](CO)COC(C)C)ccc1C#N ZINC000558423573 376607986 /nfs/dbraw/zinc/60/79/86/376607986.db2.gz NWGADWKQWYAFOW-MRXNPFEDSA-N 0 3 276.380 2.084 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)[C@@H]1n1cccn1 ZINC000559360700 376677349 /nfs/dbraw/zinc/67/73/49/376677349.db2.gz OUIYZBXIQJBXFN-ZACQAIPSSA-N 0 3 296.374 2.263 20 30 CEEDHN C=CCN(C)Cc1ccc(CN2CCOCC2)cc1 ZINC000420920569 376738141 /nfs/dbraw/zinc/73/81/41/376738141.db2.gz JZCHNQPPYHIDQS-UHFFFAOYSA-N 0 3 260.381 2.137 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000280007395 542117508 /nfs/dbraw/zinc/11/75/08/542117508.db2.gz GLSPYQLJSZJFSD-GXTWGEPZSA-N 0 3 277.364 2.218 20 30 CEEDHN N#Cc1cc(N2CCCN(Cc3ccccc3)CC2)ncn1 ZINC000324037261 376840507 /nfs/dbraw/zinc/84/05/07/376840507.db2.gz RKTHPICTPXZBEP-UHFFFAOYSA-N 0 3 293.374 2.061 20 30 CEEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(=O)NC1CC1 ZINC000328673191 376876626 /nfs/dbraw/zinc/87/66/26/376876626.db2.gz IVQQWGBLCKJQJW-FTYKPCCVSA-N 0 3 264.369 2.041 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000328940655 376925817 /nfs/dbraw/zinc/92/58/17/376925817.db2.gz SNJMACIVCLZQDV-RYPCIWMOSA-N 0 3 288.391 2.474 20 30 CEEDHN C[C@H](NC(=O)[C@@H]1CCn2cncc2C1)C1=CCN(C)CC1 ZINC000329301281 376940436 /nfs/dbraw/zinc/94/04/36/376940436.db2.gz MWCVZUUNMMUPQN-GXTWGEPZSA-N 0 3 288.395 2.052 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC000329341749 376950012 /nfs/dbraw/zinc/95/00/12/376950012.db2.gz PEGBCCOCUXBPLA-GRYCIOLGSA-N 0 3 267.373 2.182 20 30 CEEDHN C[C@H](C(=O)NCCc1cnccn1)N1CCCCCC1 ZINC000329399327 376960746 /nfs/dbraw/zinc/96/07/46/376960746.db2.gz VMZGABWGTBZEHI-CYBMUJFWSA-N 0 3 276.384 2.240 20 30 CEEDHN CO[C@]1(CNC(=O)[C@@H]2CCCN2C2CCCC2)CCOC1 ZINC000329664050 376984266 /nfs/dbraw/zinc/98/42/66/376984266.db2.gz PJXAHUVDSXDNPW-HOCLYGCPSA-N 0 3 296.411 2.155 20 30 CEEDHN Cc1c(C(=O)N[C@@H](C)CN(C)C)cnn1C(C)C ZINC000330683271 377196885 /nfs/dbraw/zinc/19/68/85/377196885.db2.gz RALNZBCBHCUOOP-JTQLQIEISA-N 0 3 252.362 2.027 20 30 CEEDHN C[C@H](C(=O)NCCc1cccc(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000330538622 377176621 /nfs/dbraw/zinc/17/66/21/377176621.db2.gz QOXLZOGAOULLHZ-RBSFLKMASA-N 0 3 299.418 2.478 20 30 CEEDHN C#Cc1ccccc1CC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000292629742 377257533 /nfs/dbraw/zinc/25/75/33/377257533.db2.gz VEZOYUFVBZJFSP-MSOLQXFVSA-N 0 3 296.414 2.153 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000292637218 377259533 /nfs/dbraw/zinc/25/95/33/377259533.db2.gz DADIPLFUBIVOBM-LBPRGKRZSA-N 0 3 250.386 2.355 20 30 CEEDHN CCc1ccc(C#CC(=O)NC[C@@H]2CCN(C3CC3)C2)cc1 ZINC000292696666 377263047 /nfs/dbraw/zinc/26/30/47/377263047.db2.gz QNXDSLXIDAPJHA-KRWDZBQOSA-N 0 3 296.414 2.201 20 30 CEEDHN CC(C)C[C@@H](CNC(=O)C(C)C#N)C(=O)OC(C)(C)C ZINC000424958942 377311434 /nfs/dbraw/zinc/31/14/34/377311434.db2.gz XSGQIVQGSAXLQC-RYUDHWBXSA-N 0 3 282.384 2.266 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N(CC)C[C@H]1CCCN1CC ZINC000563912717 377318779 /nfs/dbraw/zinc/31/87/79/377318779.db2.gz FDYCJVRRDGIWJW-BZUAXINKSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425069419 377328014 /nfs/dbraw/zinc/32/80/14/377328014.db2.gz VCXDPPIXCOSRKJ-HZSPNIEDSA-N 0 3 250.386 2.141 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425069420 377328306 /nfs/dbraw/zinc/32/83/06/377328306.db2.gz VCXDPPIXCOSRKJ-MELADBBJSA-N 0 3 250.386 2.141 20 30 CEEDHN CC[C@H]1[C@@H](C)CCN1CC(=O)NCc1cccc(C#N)c1 ZINC000331137256 377297848 /nfs/dbraw/zinc/29/78/48/377297848.db2.gz SFDQKCUMMNHGKF-BBRMVZONSA-N 0 3 285.391 2.295 20 30 CEEDHN COc1cc(CNC[C@H](OC)C2CC2)ccc1C#N ZINC000292960659 377370061 /nfs/dbraw/zinc/37/00/61/377370061.db2.gz JKRASJZBKNDGDE-HNNXBMFYSA-N 0 3 260.337 2.081 20 30 CEEDHN CCOCC[C@@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425536907 377370230 /nfs/dbraw/zinc/37/02/30/377370230.db2.gz POFJPGSKPHSYPX-CZUORRHYSA-N 0 3 276.380 2.339 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425754026 377381325 /nfs/dbraw/zinc/38/13/25/377381325.db2.gz HRZDAVGCLMUZDX-MELADBBJSA-N 0 3 265.401 2.077 20 30 CEEDHN C#CCCOc1ccc(CN[C@@H](C)Cn2ccnc2)cc1 ZINC000264943804 190146517 /nfs/dbraw/zinc/14/65/17/190146517.db2.gz HRNGHNGCUAWBLH-HNNXBMFYSA-N 0 3 283.375 2.464 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H](C1CC1)C(C)(C)CO ZINC000293005854 377390199 /nfs/dbraw/zinc/39/01/99/377390199.db2.gz JKGOTQMJSXITLQ-INIZCTEOSA-N 0 3 288.391 2.454 20 30 CEEDHN COCC(C)(C)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000425505584 377352670 /nfs/dbraw/zinc/35/26/70/377352670.db2.gz OETOUTWYHROQIY-UHFFFAOYSA-N 0 3 281.444 2.359 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)NCC1(C#N)CCC1 ZINC000331493644 377449819 /nfs/dbraw/zinc/44/98/19/377449819.db2.gz XUHWJEUMTGASTE-CYBMUJFWSA-N 0 3 292.427 2.100 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000685582037 542162841 /nfs/dbraw/zinc/16/28/41/542162841.db2.gz ZHBZWEJJFCHCFS-JYJNAYRXSA-N 0 3 296.361 2.237 20 30 CEEDHN CC(C)C[C@H](CCO)CNC[C@@H](C#N)CCC#N ZINC000564854924 377477853 /nfs/dbraw/zinc/47/78/53/377477853.db2.gz UECCYKPJEFRXGA-UONOGXRCSA-N 0 3 251.374 2.064 20 30 CEEDHN COC[C@@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000428054196 377480885 /nfs/dbraw/zinc/48/08/85/377480885.db2.gz NAHVNWJUNUVALO-BXKDBHETSA-N 0 3 266.728 2.303 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C1CCC1)C1CCC1 ZINC000429124140 377508041 /nfs/dbraw/zinc/50/80/41/377508041.db2.gz UGKIEHGVKCGPPC-MRXNPFEDSA-N 0 3 277.412 2.448 20 30 CEEDHN COc1cc(CNCC2(CC#N)CC2)cc2c1OCCO2 ZINC000430077584 377525658 /nfs/dbraw/zinc/52/56/58/377525658.db2.gz MLVMSGWUGUEPSI-UHFFFAOYSA-N 0 3 288.347 2.250 20 30 CEEDHN C#CCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000265098666 190157592 /nfs/dbraw/zinc/15/75/92/190157592.db2.gz WJDJIVMENDWRRO-INIZCTEOSA-N 0 3 285.391 2.146 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)NCC1(CC#N)CC1 ZINC000430680903 377540937 /nfs/dbraw/zinc/54/09/37/377540937.db2.gz PYUYRFNPGIOEOY-AWEZNQCLSA-N 0 3 292.427 2.244 20 30 CEEDHN C=CCOCCCN1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000430262523 377527852 /nfs/dbraw/zinc/52/78/52/377527852.db2.gz WECCQEXZMXYECN-JYJNAYRXSA-N 0 3 283.412 2.238 20 30 CEEDHN C[C@@H](CCC#N)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000565049751 377545337 /nfs/dbraw/zinc/54/53/37/377545337.db2.gz SFXVPQXDHXZVIM-UONOGXRCSA-N 0 3 263.385 2.156 20 30 CEEDHN Cn1cc(CCN(Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000265802884 190208254 /nfs/dbraw/zinc/20/82/54/190208254.db2.gz CKNYKNSDNKZLAT-UHFFFAOYSA-N 0 3 280.375 2.499 20 30 CEEDHN C=CCn1c(SCC[N@H+]2C[C@H](C)C[C@H](C)C2)n[n-]c1=O ZINC000565240755 377621587 /nfs/dbraw/zinc/62/15/87/377621587.db2.gz DBRPBIUSJJHZJF-TXEJJXNPSA-N 0 3 296.440 2.240 20 30 CEEDHN C=CCn1c(SCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n[n-]c1=O ZINC000565240755 377621596 /nfs/dbraw/zinc/62/15/96/377621596.db2.gz DBRPBIUSJJHZJF-TXEJJXNPSA-N 0 3 296.440 2.240 20 30 CEEDHN C=CCCCCN1CCCN(C(=O)C2CC2)CC1 ZINC000565286408 377633089 /nfs/dbraw/zinc/63/30/89/377633089.db2.gz PWVSAPZJRZKXPL-UHFFFAOYSA-N 0 3 250.386 2.287 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000431513070 377647722 /nfs/dbraw/zinc/64/77/22/377647722.db2.gz JNZRRTAAYBWUSN-GOEBONIOSA-N 0 3 286.375 2.396 20 30 CEEDHN C=CCC(C)(C)CNC(=O)NCCN(CC)C1CC1 ZINC000432085544 377710572 /nfs/dbraw/zinc/71/05/72/377710572.db2.gz QHAOVYYEQFDFTL-UHFFFAOYSA-N 0 3 267.417 2.372 20 30 CEEDHN CN(Cc1cnccn1)C(=O)C(C#N)CCc1ccccc1 ZINC000433359052 377791988 /nfs/dbraw/zinc/79/19/88/377791988.db2.gz GPAHEUBPWHOTGK-OAHLLOKOSA-N 0 3 294.358 2.208 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)NCCN1CCCC[C@H]1C ZINC000437603473 377854560 /nfs/dbraw/zinc/85/45/60/377854560.db2.gz OGJRFUGGXWBMQD-GDBMZVCRSA-N 0 3 282.428 2.206 20 30 CEEDHN CCNC(=O)c1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442786823 377994709 /nfs/dbraw/zinc/99/47/09/377994709.db2.gz UQYPIVYDABRGFP-IUODEOHRSA-N 0 3 271.364 2.218 20 30 CEEDHN C[C@H](N[C@H]1CCOC1(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000295237718 378065538 /nfs/dbraw/zinc/06/55/38/378065538.db2.gz OZUZUCWRBKKAGH-FZMZJTMJSA-N 0 3 287.363 2.042 20 30 CEEDHN C[C@@H](N[C@H]1CCOC1(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000295237719 378065757 /nfs/dbraw/zinc/06/57/57/378065757.db2.gz OZUZUCWRBKKAGH-RISCZKNCSA-N 0 3 287.363 2.042 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCCC2(CCOCC2)C1 ZINC000266022938 190224283 /nfs/dbraw/zinc/22/42/83/190224283.db2.gz PHVZVPLVWDYBMO-UHFFFAOYSA-N 0 3 292.423 2.080 20 30 CEEDHN CC[C@H](C(=O)NCc1cc(C#N)ccc1F)N(CC)CC ZINC000346221906 217843939 /nfs/dbraw/zinc/84/39/39/217843939.db2.gz KPDQLBMOQONFIT-OAHLLOKOSA-N 0 3 291.370 2.434 20 30 CEEDHN CC(C)[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000446709575 378086516 /nfs/dbraw/zinc/08/65/16/378086516.db2.gz ANTRPXWPLZNBIK-CQSZACIVSA-N 0 3 277.412 2.307 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccc(-c2cc[nH]n2)o1 ZINC000449702335 378222579 /nfs/dbraw/zinc/22/25/79/378222579.db2.gz YXFLIYDKYJPOPH-NSHDSACASA-N 0 3 261.325 2.086 20 30 CEEDHN CCCCN1CCCC[C@@H]1CNC(=O)[C@]1(C#N)C[C@H]1C ZINC000448842616 378189383 /nfs/dbraw/zinc/18/93/83/378189383.db2.gz DVCBPXPOGFGBKQ-FMKPAKJESA-N 0 3 277.412 2.307 20 30 CEEDHN CC(F)(F)CCNCc1cnc2ccc(C#N)cn12 ZINC000449353858 378205001 /nfs/dbraw/zinc/20/50/01/378205001.db2.gz HOXASRUEKRPFLK-UHFFFAOYSA-N 0 3 264.279 2.341 20 30 CEEDHN CN(C)[C@@H](CNc1nccc(C#N)n1)c1ccc(F)cc1 ZINC000295575992 378219284 /nfs/dbraw/zinc/21/92/84/378219284.db2.gz RPWXAMQBKWIIQN-AWEZNQCLSA-N 0 3 285.326 2.202 20 30 CEEDHN C[C@@H]1[C@H](Nc2nccc(C#N)n2)CCN1Cc1ccccc1 ZINC000295747008 378286733 /nfs/dbraw/zinc/28/67/33/378286733.db2.gz ZDYBSKTZZVTRQR-CZUORRHYSA-N 0 3 293.374 2.423 20 30 CEEDHN C=CCOc1ccc(CN2C[C@H](O)C[C@H](C)C2)cc1 ZINC000449767268 378227945 /nfs/dbraw/zinc/22/79/45/378227945.db2.gz PTVMFSOBFARMRU-DZGCQCFKSA-N 0 3 261.365 2.454 20 30 CEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000449874888 378238372 /nfs/dbraw/zinc/23/83/72/378238372.db2.gz XXSOKJKKKSYUER-KYJSFNMBSA-N 0 3 297.402 2.317 20 30 CEEDHN C[C@@H]1C[C@]1(C#N)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000449874890 378238550 /nfs/dbraw/zinc/23/85/50/378238550.db2.gz XXSOKJKKKSYUER-UWWQBHOKSA-N 0 3 297.402 2.317 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)CCCN1C ZINC000450793208 378582888 /nfs/dbraw/zinc/58/28/88/378582888.db2.gz KZSGCEGAHGFJHC-IOASZLSFSA-N 0 3 275.396 2.059 20 30 CEEDHN C=CCC[C@@H](O)CN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296629938 378598620 /nfs/dbraw/zinc/59/86/20/378598620.db2.gz HRKZYQIQAUBPBD-MRXNPFEDSA-N 0 3 288.391 2.077 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)(F)F ZINC000452865097 378732984 /nfs/dbraw/zinc/73/29/84/378732984.db2.gz MFDKEBYKLYVZNP-MFKMUULPSA-N 0 3 291.301 2.400 20 30 CEEDHN Cc1nnc(NC[C@H](C)N2CCC[C@@H](C)C2)c(C#N)c1C ZINC000298694110 378802823 /nfs/dbraw/zinc/80/28/23/378802823.db2.gz BSSINCKKDURYSJ-NEPJUHHUSA-N 0 3 287.411 2.497 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCN(C2CCC2)CC1 ZINC000347267663 218175577 /nfs/dbraw/zinc/17/55/77/218175577.db2.gz TVHNEWRJQPOJHL-UHFFFAOYSA-N 0 3 285.391 2.237 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@H](OC)C1(C)C ZINC000300648385 379177591 /nfs/dbraw/zinc/17/75/91/379177591.db2.gz QIBOTFLFMYADNT-GJZGRUSLSA-N 0 3 274.364 2.470 20 30 CEEDHN Cc1cc(C)c(C#N)c(NC[C@@]2(N(C)C)CCSC2)n1 ZINC000267040425 190298939 /nfs/dbraw/zinc/29/89/39/190298939.db2.gz COFOFFBNQPZEQK-HNNXBMFYSA-N 0 3 290.436 2.419 20 30 CEEDHN C[C@@H]1CN(CC(=O)NC2(C#N)CCC2)[C@H]2CCCC[C@H]12 ZINC000526291318 379705754 /nfs/dbraw/zinc/70/57/54/379705754.db2.gz XABRJUCMEWRSLB-MCIONIFRSA-N 0 3 275.396 2.059 20 30 CEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C#Cc1ccccc1 ZINC000267709797 190349016 /nfs/dbraw/zinc/34/90/16/190349016.db2.gz QUBHLMPXAOCODE-SJORKVTESA-N 0 3 282.387 2.123 20 30 CEEDHN C=CCOCCCN1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000470722655 380070472 /nfs/dbraw/zinc/07/04/72/380070472.db2.gz KOWLBTRGZCQRMO-ILXRZTDVSA-N 0 3 281.396 2.385 20 30 CEEDHN CC[C@@H](CNC(=O)C(C)C#N)Oc1cccc(C)c1 ZINC000488420774 380095107 /nfs/dbraw/zinc/09/51/07/380095107.db2.gz JEXJMAMQDFVQGU-OLZOCXBDSA-N 0 3 260.337 2.428 20 30 CEEDHN CC(C)(C#N)CCCN1CCC[C@@H](N2CCCC2=O)C1 ZINC000530870923 380204877 /nfs/dbraw/zinc/20/48/77/380204877.db2.gz AOHLKXFAHNCEHF-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN N#CC[C@@]1(O)CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000529611681 380180116 /nfs/dbraw/zinc/18/01/16/380180116.db2.gz QEJBRAKGKYPRJL-OAHLLOKOSA-N 0 3 255.321 2.018 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)Cc1cccc(C#N)c1 ZINC000530913467 380205920 /nfs/dbraw/zinc/20/59/20/380205920.db2.gz KSKOMCNIPUEWFC-HUUCEWRRSA-N 0 3 299.418 2.480 20 30 CEEDHN CCO[C@@]1(C)C[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000529854829 380188117 /nfs/dbraw/zinc/18/81/17/380188117.db2.gz IXOYOMJXUHYAHS-UXLLHSPISA-N 0 3 286.375 2.443 20 30 CEEDHN COCCO[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000489019920 380153960 /nfs/dbraw/zinc/15/39/60/380153960.db2.gz VRPHNFLQGRNXSG-MRXNPFEDSA-N 0 3 274.364 2.104 20 30 CEEDHN CN(CCC(=O)N(C)c1cccc(C#N)c1)c1ccncc1 ZINC000540928461 380261942 /nfs/dbraw/zinc/26/19/42/380261942.db2.gz NKCSUSBDZDFMNA-UHFFFAOYSA-N 0 3 294.358 2.443 20 30 CEEDHN C[C@@H](CNC(=O)C1(C#N)CC(C)C1)N1CCCC[C@H]1C ZINC000532323372 380212977 /nfs/dbraw/zinc/21/29/77/380212977.db2.gz XVOSZKJQOLSRQS-IQXANGCESA-N 0 3 277.412 2.305 20 30 CEEDHN CC[C@H](C(=O)N1CCC(CC#N)CC1)N(CC)CC ZINC000542913620 380323102 /nfs/dbraw/zinc/32/31/02/380323102.db2.gz OSZUXDVNPVHKRC-CQSZACIVSA-N 0 3 265.401 2.259 20 30 CEEDHN C#C[C@H](C)N(C)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000491165371 380285670 /nfs/dbraw/zinc/28/56/70/380285670.db2.gz KOJQYEJFASCGCX-WMZOPIPTSA-N 0 3 286.419 2.231 20 30 CEEDHN N#CC(C(=O)c1cccnc1C1CC1)c1ccncn1 ZINC000544816201 380365403 /nfs/dbraw/zinc/36/54/03/380365403.db2.gz CYOFHIFIGSCIPY-GFCCVEGCSA-N 0 3 264.288 2.239 20 30 CEEDHN Cc1cc(CN[C@H]2CCC(=O)NC23CCC3)ccc1C#N ZINC000334410545 380371790 /nfs/dbraw/zinc/37/17/90/380371790.db2.gz SXLXANBRSFCOKW-HNNXBMFYSA-N 0 3 283.375 2.158 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000544585241 380357903 /nfs/dbraw/zinc/35/79/03/380357903.db2.gz QHYMHEPBBZVLMT-LERXQTSPSA-N 0 3 276.311 2.322 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000334473463 380461217 /nfs/dbraw/zinc/46/12/17/380461217.db2.gz LGLPIOBTLCNCQR-JQWIXIFHSA-N 0 3 277.755 2.195 20 30 CEEDHN Cn1cc(CN2CCC[C@@H](c3ccnn3C)C2)cc1C#N ZINC000334536141 380550267 /nfs/dbraw/zinc/55/02/67/380550267.db2.gz IUQOLEYYSCUPFM-CQSZACIVSA-N 0 3 283.379 2.010 20 30 CEEDHN CC(C#N)C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000334556359 380586189 /nfs/dbraw/zinc/58/61/89/380586189.db2.gz YAGWIVJOSBVSNO-LLVKDONJSA-N 0 3 288.322 2.407 20 30 CEEDHN C=CCCCNC(=O)c1ccccc1OCCN(C)C ZINC000279186604 194323150 /nfs/dbraw/zinc/32/31/50/194323150.db2.gz IZGUWUDBJSZZSS-UHFFFAOYSA-N 0 3 276.380 2.323 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@]1(O)CCO[C@@H]1C ZINC000556092468 380869743 /nfs/dbraw/zinc/86/97/43/380869743.db2.gz WIVWFFVJRIXXFQ-GDBMZVCRSA-N 0 3 261.365 2.215 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000493909662 381151232 /nfs/dbraw/zinc/15/12/32/381151232.db2.gz XUKZZGUMMPUYAF-NEPJUHHUSA-N 0 3 254.374 2.408 20 30 CEEDHN CC#CCN1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000493949652 381151358 /nfs/dbraw/zinc/15/13/58/381151358.db2.gz SCBZVKVVVGJXDF-CHWSQXEVSA-N 0 3 266.385 2.245 20 30 CEEDHN C[C@H](N[C@]1(C)CCO[C@@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000494265570 381155615 /nfs/dbraw/zinc/15/56/15/381155615.db2.gz QHJXYALYNMDHNO-HWWQOWPSSA-N 0 3 287.363 2.042 20 30 CEEDHN C#CCCN1CC[C@@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495281173 381168411 /nfs/dbraw/zinc/16/84/11/381168411.db2.gz KAYWIUJVOIGUIX-UONOGXRCSA-N 0 3 296.411 2.014 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000494661961 381161654 /nfs/dbraw/zinc/16/16/54/381161654.db2.gz QODVZVRJNUFDLR-CABCVRRESA-N 0 3 279.428 2.468 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C ZINC000495691675 381180993 /nfs/dbraw/zinc/18/09/93/381180993.db2.gz CFHQLWRDFQGEST-NEPJUHHUSA-N 0 3 297.399 2.346 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495852953 381188862 /nfs/dbraw/zinc/18/88/62/381188862.db2.gz BVOGBBQIVAVKDQ-CHWSQXEVSA-N 0 3 266.385 2.387 20 30 CEEDHN C#CCCCN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000496081044 381197118 /nfs/dbraw/zinc/19/71/18/381197118.db2.gz BZYUSDMDXWSWET-STQMWFEESA-N 0 3 266.385 2.387 20 30 CEEDHN CC#CCCN1CCCC[C@@H]1COC(=O)NCCC ZINC000496657344 381222989 /nfs/dbraw/zinc/22/29/89/381222989.db2.gz CSJKEHNVIQAGEM-CQSZACIVSA-N 0 3 266.385 2.391 20 30 CEEDHN C=CCN(C)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496702878 381224381 /nfs/dbraw/zinc/22/43/81/381224381.db2.gz QDMFANPSVNATAA-MRXNPFEDSA-N 0 3 298.427 2.256 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000355784226 285040112 /nfs/dbraw/zinc/04/01/12/285040112.db2.gz IMKUBCZPCNETTG-KBXIAJHMSA-N 0 3 279.428 2.361 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCc3nc[nH]c3C2)c(F)c1 ZINC000335306144 208149764 /nfs/dbraw/zinc/14/97/64/208149764.db2.gz HIKOWAQBGQDCRS-GFCCVEGCSA-N 0 3 270.311 2.068 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCc3[nH]cnc3C2)c(F)c1 ZINC000335306144 208149768 /nfs/dbraw/zinc/14/97/68/208149768.db2.gz HIKOWAQBGQDCRS-GFCCVEGCSA-N 0 3 270.311 2.068 20 30 CEEDHN C[C@H](NC(=O)C12CCCN1CCC2)c1ccc(C#N)cc1 ZINC000289408457 197333087 /nfs/dbraw/zinc/33/30/87/197333087.db2.gz GOXOEGVREZLPMA-ZDUSSCGKSA-N 0 3 283.375 2.364 20 30 CEEDHN C[C@@H](C(=O)NCCC1CC(O)C1)N1CCCCCC1 ZINC000330354257 533096078 /nfs/dbraw/zinc/09/60/78/533096078.db2.gz PKKCYZJALCGTDN-HSBZDZAISA-N 0 3 268.401 2.368 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000336526896 533118151 /nfs/dbraw/zinc/11/81/51/533118151.db2.gz YASODTUXKAUDRZ-RYUDHWBXSA-N 0 3 275.327 2.070 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000336526895 533117800 /nfs/dbraw/zinc/11/78/00/533117800.db2.gz YASODTUXKAUDRZ-NWDGAFQWSA-N 0 3 275.327 2.070 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(C)=O ZINC000329051530 285195360 /nfs/dbraw/zinc/19/53/60/285195360.db2.gz HFDNGMHEWYSFJB-CABCVRRESA-N 0 3 295.427 2.218 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000329623519 285195408 /nfs/dbraw/zinc/19/54/08/285195408.db2.gz HMDWZMCZXOKOMU-MGPQQGTHSA-N 0 3 278.400 2.057 20 30 CEEDHN C#CCN1CCC(COc2ccc(Cl)nc2)CC1 ZINC000364894697 262264031 /nfs/dbraw/zinc/26/40/31/262264031.db2.gz LLTUVSSSCORRLC-UHFFFAOYSA-N 0 3 264.756 2.459 20 30 CEEDHN C[C@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)N(C)C1CC1 ZINC000333149073 260034920 /nfs/dbraw/zinc/03/49/20/260034920.db2.gz GOLOEDJHEWJSCR-WBMJQRKESA-N 0 3 275.396 2.059 20 30 CEEDHN C=C(C)CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000187856584 260061549 /nfs/dbraw/zinc/06/15/49/260061549.db2.gz UTRGGBRBXLDQBS-HUUCEWRRSA-N 0 3 273.380 2.307 20 30 CEEDHN C[C@@H](C(=O)N[C@H]1CC[C@@H](CC#N)C1)N1CCCCCC1 ZINC000331465708 533309591 /nfs/dbraw/zinc/30/95/91/533309591.db2.gz BPPXPFOOQCSKGS-KKUMJFAQSA-N 0 3 277.412 2.449 20 30 CEEDHN C[C@@H](CC(C)(C)O)NCc1ccc(C#N)c(F)c1 ZINC000404104118 533477448 /nfs/dbraw/zinc/47/74/48/533477448.db2.gz IYYCACZDLVDDJA-JTQLQIEISA-N 0 3 250.317 2.336 20 30 CEEDHN COc1cc(C)c([C@@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347075459 533606733 /nfs/dbraw/zinc/60/67/33/533606733.db2.gz SDJQUESVAOQDDY-WDEREUQCSA-N 0 3 276.336 2.349 20 30 CEEDHN N#Cc1ccc([N+](=O)[O-])c(N2CC[C@H](N3CCCC3)C2)c1 ZINC000302222480 394475107 /nfs/dbraw/zinc/47/51/07/394475107.db2.gz SWYKNKMAVKETGP-ZDUSSCGKSA-N 0 3 286.335 2.141 20 30 CEEDHN Cc1cc(N(C)CCN2CCCC2)c(C#N)cc1[N+](=O)[O-] ZINC000413120800 394485971 /nfs/dbraw/zinc/48/59/71/394485971.db2.gz SDMSBKZGGHQVQC-UHFFFAOYSA-N 0 3 288.351 2.307 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCCC[C@H]1[C@@H](C)O ZINC000305185171 394498367 /nfs/dbraw/zinc/49/83/67/394498367.db2.gz ILZKXASRDQFNQV-DOMZBBRYSA-N 0 3 274.364 2.302 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCCC[C@@H]1[C@H](C)O ZINC000305185180 394498752 /nfs/dbraw/zinc/49/87/52/394498752.db2.gz ILZKXASRDQFNQV-SWLSCSKDSA-N 0 3 274.364 2.302 20 30 CEEDHN COc1ccc(CN2CCC[C@H]2C(C)(C)O)cc1C#N ZINC000305758640 394512104 /nfs/dbraw/zinc/51/21/04/394512104.db2.gz 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/nfs/dbraw/zinc/53/85/48/394538548.db2.gz NUPGJHPGSIRDPQ-IHRRRGAJSA-N 0 3 250.386 2.306 20 30 CEEDHN CCN1CCCC[C@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000334189874 394661413 /nfs/dbraw/zinc/66/14/13/394661413.db2.gz JCCAZEYPCQFYKQ-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(C)(C)C#N)C1 ZINC000330378206 394602765 /nfs/dbraw/zinc/60/27/65/394602765.db2.gz RERCIPZCOXFMET-DZGCQCFKSA-N 0 3 285.391 2.488 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)c1cc(C)nc(OC)c1 ZINC000330407012 394605161 /nfs/dbraw/zinc/60/51/61/394605161.db2.gz WXSGICCGDLEBET-CYBMUJFWSA-N 0 3 277.368 2.188 20 30 CEEDHN CCC[C@H](C(=O)NCC1CCC(C#N)CC1)N(C)C ZINC000330431787 394609558 /nfs/dbraw/zinc/60/95/58/394609558.db2.gz WORJYWFLALUABB-JXQTWKCFSA-N 0 3 265.401 2.163 20 30 CEEDHN CCCCNC(=O)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000330449163 394610995 /nfs/dbraw/zinc/61/09/95/394610995.db2.gz ZHMROUHKUHOQDT-HIFRSBDPSA-N 0 3 277.412 2.307 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(F)c(C#N)c1 ZINC000330562203 394618496 /nfs/dbraw/zinc/61/84/96/394618496.db2.gz AFQBINFPVLGFKD-CYBMUJFWSA-N 0 3 275.327 2.486 20 30 CEEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000333548703 394648008 /nfs/dbraw/zinc/64/80/08/394648008.db2.gz MEJGBNYWLJGYEI-CPUCHLNUSA-N 0 3 289.423 2.305 20 30 CEEDHN Cc1cc([C@H]2CN(C(=O)C(C)C#N)CCO2)ccc1F ZINC000334307946 394673495 /nfs/dbraw/zinc/67/34/95/394673495.db2.gz HWHKXSROASEAPA-SMDDNHRTSA-N 0 3 276.311 2.194 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ncc(C#N)cc1Cl ZINC000267540653 394681860 /nfs/dbraw/zinc/68/18/60/394681860.db2.gz BZWORVWGLADRJY-ZWNOBZJWSA-N 0 3 278.787 2.383 20 30 CEEDHN CC[C@H](NCc1cccc(C#N)c1)[C@@H](O)C(F)(F)F ZINC000271041736 394745531 /nfs/dbraw/zinc/74/55/31/394745531.db2.gz ZUUNAGJSTLRMCY-NWDGAFQWSA-N 0 3 272.270 2.350 20 30 CEEDHN Cc1ccc(NC(=O)CCNCc2cccc(C#N)c2)nc1 ZINC000113353131 394748093 /nfs/dbraw/zinc/74/80/93/394748093.db2.gz WGFYRENVCDVFHL-UHFFFAOYSA-N 0 3 294.358 2.380 20 30 CEEDHN CC(C)S(=O)(=O)CCCN[C@H](C)c1ccc(C#N)cc1 ZINC000271613056 394759370 /nfs/dbraw/zinc/75/93/70/394759370.db2.gz BIRSXBRRUYZRNU-CYBMUJFWSA-N 0 3 294.420 2.422 20 30 CEEDHN N#CCSCCCN[C@@H](CO)c1cccc(F)c1 ZINC000359624443 394765995 /nfs/dbraw/zinc/76/59/95/394765995.db2.gz IVDKOAKPZSMNLO-ZDUSSCGKSA-N 0 3 268.357 2.096 20 30 CEEDHN C=CCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000360183206 394791917 /nfs/dbraw/zinc/79/19/17/394791917.db2.gz BZJCXMXIHJKIIO-UHFFFAOYSA-N 0 3 265.401 2.078 20 30 CEEDHN CCN(CC)C(=O)C1(NCCCC#N)CCCCC1 ZINC000121163057 394794095 /nfs/dbraw/zinc/79/40/95/394794095.db2.gz FYZIJSGXFIGKJU-UHFFFAOYSA-N 0 3 265.401 2.451 20 30 CEEDHN CCc1ccc([C@H]2CN(C(=O)C(C)C#N)CCO2)cc1 ZINC000335753600 394796269 /nfs/dbraw/zinc/79/62/69/394796269.db2.gz JOGGMMKBWNDLOQ-SWLSCSKDSA-N 0 3 272.348 2.309 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](CCO)c1ccc(Cl)cc1 ZINC000360480255 394801164 /nfs/dbraw/zinc/80/11/64/394801164.db2.gz VZRRBPYTLIFKQQ-SKDRFNHKSA-N 0 3 266.728 2.039 20 30 CEEDHN N#CCCCC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000360730259 394806793 /nfs/dbraw/zinc/80/67/93/394806793.db2.gz WWJGSJJFRPHIHI-UHFFFAOYSA-N 0 3 286.379 2.108 20 30 CEEDHN C=CC[C@H](CC)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000281877696 394867534 /nfs/dbraw/zinc/86/75/34/394867534.db2.gz ZXVKICYAELIVEO-AWEZNQCLSA-N 0 3 291.395 2.107 20 30 CEEDHN C=CCN1CC[C@@H]([N@H+](CCC)Cc2ccccc2[O-])C1=O ZINC000281912419 394874520 /nfs/dbraw/zinc/87/45/20/394874520.db2.gz GQNKLBAYDQCDME-OAHLLOKOSA-N 0 3 288.391 2.391 20 30 CEEDHN C=CCN1CC[C@@H]([N@@H+](CCC)Cc2ccccc2[O-])C1=O ZINC000281912419 394874522 /nfs/dbraw/zinc/87/45/22/394874522.db2.gz GQNKLBAYDQCDME-OAHLLOKOSA-N 0 3 288.391 2.391 20 30 CEEDHN CCO[C@H]1COCC[C@H]1NCC#Cc1ccccc1Cl ZINC000362029372 394842809 /nfs/dbraw/zinc/84/28/09/394842809.db2.gz SMSVQOBBDAXJDB-CVEARBPZSA-N 0 3 293.794 2.475 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000336350528 394846117 /nfs/dbraw/zinc/84/61/17/394846117.db2.gz QWVODOWZSIPPAA-UKRRQHHQSA-N 0 3 277.412 2.387 20 30 CEEDHN C[C@@H](NC(=O)C1(C#N)CCCCC1)C1=CCN(C)CC1 ZINC000336444477 394855392 /nfs/dbraw/zinc/85/53/92/394855392.db2.gz ZVOXCJNRXZOSGK-CYBMUJFWSA-N 0 3 275.396 2.227 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000338077120 394904614 /nfs/dbraw/zinc/90/46/14/394904614.db2.gz BRKQYWQUYFEHDC-UMVBOHGHSA-N 0 3 272.348 2.430 20 30 CEEDHN CC(C)N(CC#Cc1cccc(Cl)c1)CCOCCO ZINC000283789214 394937571 /nfs/dbraw/zinc/93/75/71/394937571.db2.gz SUZHURHMVRSIDD-UHFFFAOYSA-N 0 3 295.810 2.411 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)C1 ZINC000339047483 394938069 /nfs/dbraw/zinc/93/80/69/394938069.db2.gz QHVRPBOSULLDOW-VDERGJSUSA-N 0 3 287.407 2.154 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)OCC ZINC000339355925 394956380 /nfs/dbraw/zinc/95/63/80/394956380.db2.gz GVZYGYSVAYVIIL-ILXRZTDVSA-N 0 3 282.428 2.299 20 30 CEEDHN CCC[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CCN1CCOC ZINC000339059742 394939636 /nfs/dbraw/zinc/93/96/36/394939636.db2.gz IULGHIKJZMCTIF-BZUAXINKSA-N 0 3 279.428 2.111 20 30 CEEDHN COC[C@@H](NCCOCCC#N)c1ccc(F)cc1 ZINC000339077525 394940118 /nfs/dbraw/zinc/94/01/18/394940118.db2.gz RSLVRTMUNWUQNP-CQSZACIVSA-N 0 3 266.316 2.033 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](Oc3ccncc3)C2)C1 ZINC000339134156 394944836 /nfs/dbraw/zinc/94/48/36/394944836.db2.gz HCTJFPMGBPHNEE-NFAWXSAZSA-N 0 3 257.337 2.227 20 30 CEEDHN CC#CCN1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366532889 394947799 /nfs/dbraw/zinc/94/77/99/394947799.db2.gz FVFIZJJAXIXKNY-KGLIPLIRSA-N 0 3 278.396 2.341 20 30 CEEDHN C=CCN(CCC#N)C(=O)Nc1cccc(CNC)c1 ZINC000415938150 394984115 /nfs/dbraw/zinc/98/41/15/394984115.db2.gz YIQPGVPVRWJERO-UHFFFAOYSA-N 0 3 272.352 2.340 20 30 CEEDHN Cc1nsc(N2CC[C@H]3[C@H](CCCN3C)C2)c1C#N ZINC000286329550 395020379 /nfs/dbraw/zinc/02/03/79/395020379.db2.gz VFTHHWZVHXZABR-YPMHNXCESA-N 0 3 276.409 2.244 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)C2(C#N)CCC2)CN1Cc1ccccc1 ZINC000134894341 394959338 /nfs/dbraw/zinc/95/93/38/394959338.db2.gz DHEXRFWNGSNERK-GDBMZVCRSA-N 0 3 297.402 2.459 20 30 CEEDHN C=CCCOCCCCC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000342866888 395025463 /nfs/dbraw/zinc/02/54/63/395025463.db2.gz LYOIETOFWJLKBP-OAHLLOKOSA-N 0 3 282.428 2.302 20 30 CEEDHN C=C(Br)CN1C[C@H](N2CCCC2)C[C@H]1C ZINC000367573117 394965387 /nfs/dbraw/zinc/96/53/87/394965387.db2.gz QWMHAWPNCKCJQB-VXGBXAGGSA-N 0 3 273.218 2.454 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000285818434 394968769 /nfs/dbraw/zinc/96/87/69/394968769.db2.gz NQAVPGATAFQHPO-YPMHNXCESA-N 0 3 287.363 2.159 20 30 CEEDHN N#CCCCCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415887372 394971910 /nfs/dbraw/zinc/97/19/10/394971910.db2.gz XGXKWODJWTYINX-UHFFFAOYSA-N 0 3 272.352 2.148 20 30 CEEDHN C=CCNC(=O)CN(C)C1CCC(C(F)(F)F)CC1 ZINC000344133174 395050792 /nfs/dbraw/zinc/05/07/92/395050792.db2.gz PVKIUTHJDIDXOE-UHFFFAOYSA-N 0 3 278.318 2.342 20 30 CEEDHN COc1ccc([C@H](C)CCNC(=O)C(C)C#N)cc1 ZINC000346442214 395100186 /nfs/dbraw/zinc/10/01/86/395100186.db2.gz ZWRMNEJGJXHURY-NEPJUHHUSA-N 0 3 260.337 2.465 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CCCN(CC)CC1 ZINC000373215659 395057066 /nfs/dbraw/zinc/05/70/66/395057066.db2.gz JOYFSCZPZUDHTK-AWEZNQCLSA-N 0 3 267.417 2.468 20 30 CEEDHN CC#CC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000288398075 395059203 /nfs/dbraw/zinc/05/92/03/395059203.db2.gz MRYQXIGBBONCHW-GOSISDBHSA-N 0 3 282.387 2.134 20 30 CEEDHN C#CCCCC(=O)N(C1CC1)C1CCN(CC)CC1 ZINC000373796495 395066346 /nfs/dbraw/zinc/06/63/46/395066346.db2.gz VGLSMISJXAJDMX-UHFFFAOYSA-N 0 3 262.397 2.265 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@](CO)(CCC)C1 ZINC000288836303 395067392 /nfs/dbraw/zinc/06/73/92/395067392.db2.gz OFQMEAASVZPPJS-WBVHZDCISA-N 0 3 294.439 2.060 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2ccsc2C)CC1 ZINC000345541237 395069411 /nfs/dbraw/zinc/06/94/11/395069411.db2.gz GWMMIFBJITVGHG-UHFFFAOYSA-N 0 3 278.421 2.366 20 30 CEEDHN CC(C)CN1CCCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000374016174 395070282 /nfs/dbraw/zinc/07/02/82/395070282.db2.gz BBDSOAKLRHDOMB-UHFFFAOYSA-N 0 3 292.427 2.054 20 30 CEEDHN CCc1nc([C@@H]2CCCN(CCCSCC#N)C2)no1 ZINC000374098611 395073200 /nfs/dbraw/zinc/07/32/00/395073200.db2.gz ZOHLYMXFASFJEX-GFCCVEGCSA-N 0 3 294.424 2.458 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)[C@H](N)CC(F)F ZINC000345708614 395073493 /nfs/dbraw/zinc/07/34/93/395073493.db2.gz JMYRUVVWXCMCAN-CYBMUJFWSA-N 0 3 282.334 2.226 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)COc1ccc(F)cc1F ZINC000345765013 395076584 /nfs/dbraw/zinc/07/65/84/395076584.db2.gz ORNUUMCMCMBJMH-BDAKNGLRSA-N 0 3 268.263 2.008 20 30 CEEDHN C#Cc1ccc(CN2CC[C@@](C)(C(=O)OC)C2)cc1 ZINC000289485078 395078425 /nfs/dbraw/zinc/07/84/25/395078425.db2.gz BZIPXXWDQWQPJF-MRXNPFEDSA-N 0 3 257.333 2.053 20 30 CEEDHN C#Cc1ccc(CN2CC[C@](C)(C(=O)OC)C2)cc1 ZINC000289485075 395078625 /nfs/dbraw/zinc/07/86/25/395078625.db2.gz BZIPXXWDQWQPJF-INIZCTEOSA-N 0 3 257.333 2.053 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2C[C@@H]2C(F)F)cc1 ZINC000345858687 395080719 /nfs/dbraw/zinc/08/07/19/395080719.db2.gz GGXVUHACMGNBPJ-AGIUHOORSA-N 0 3 289.285 2.010 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc(OCC)c(OCC)c1 ZINC000289831410 395089141 /nfs/dbraw/zinc/08/91/41/395089141.db2.gz MPTVQLVRRMIXQS-ZDUSSCGKSA-N 0 3 265.353 2.121 20 30 CEEDHN CN1CC[C@@H]2CCN(c3ncc(C#N)cc3Cl)C[C@H]21 ZINC000375048227 395090195 /nfs/dbraw/zinc/09/01/95/395090195.db2.gz HMOWTBDBQGXBSQ-DGCLKSJQSA-N 0 3 276.771 2.137 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(OC(F)(F)F)cc1 ZINC000289919591 395090718 /nfs/dbraw/zinc/09/07/18/395090718.db2.gz SGPVLDRZKRDRHN-SNVBAGLBSA-N 0 3 261.243 2.222 20 30 CEEDHN CC[C@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346247431 395092795 /nfs/dbraw/zinc/09/27/95/395092795.db2.gz GAFVXNNFONBKIU-KGLIPLIRSA-N 0 3 277.412 2.449 20 30 CEEDHN C#CCOc1ccc(CN2CC[C@H](CO)C[C@@H]2C)cc1 ZINC000290190981 395096187 /nfs/dbraw/zinc/09/61/87/395096187.db2.gz ORZUDNCHWOJCGE-HOCLYGCPSA-N 0 3 273.376 2.291 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2cccc(C)c2)CC1 ZINC000171716477 395096678 /nfs/dbraw/zinc/09/66/78/395096678.db2.gz SDYDCJKVXBOGNO-UHFFFAOYSA-N 0 3 272.392 2.304 20 30 CEEDHN Cc1cc(C)c(C#N)c(N2CCCN(C3CC3)CC2)n1 ZINC000171831312 395098230 /nfs/dbraw/zinc/09/82/30/395098230.db2.gz SWZDLQAXRWGVME-UHFFFAOYSA-N 0 3 270.380 2.245 20 30 CEEDHN CC[C@@]1(C)CCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346407538 395098545 /nfs/dbraw/zinc/09/85/45/395098545.db2.gz FVNSXGCCLUGQNK-JSGCOSHPSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCN(CCC#N)C(=O)CCN1CCc2ccccc2C1 ZINC000416236528 395034977 /nfs/dbraw/zinc/03/49/77/395034977.db2.gz ZORNSRZOUIBPOR-UHFFFAOYSA-N 0 3 297.402 2.363 20 30 CEEDHN C#CCCN1CCN(c2ccncc2-c2cccnc2)CC1 ZINC000376213265 395113558 /nfs/dbraw/zinc/11/35/58/395113558.db2.gz QDKUXXCPJJZOOX-UHFFFAOYSA-N 0 3 292.386 2.289 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CCCN(CCCOC)CC1 ZINC000376381736 395118692 /nfs/dbraw/zinc/11/86/92/395118692.db2.gz BUHCPXGNXOEYRI-HNNXBMFYSA-N 0 3 297.443 2.095 20 30 CEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1cccnc1C#N ZINC000291165307 395122410 /nfs/dbraw/zinc/12/24/10/395122410.db2.gz QIHXJPHWHDVHJH-QWHCGFSZSA-N 0 3 256.353 2.016 20 30 CEEDHN CC1=C[C@@H](C)CN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000430266173 395164181 /nfs/dbraw/zinc/16/41/81/395164181.db2.gz GOIWPDHPDSYTRV-CJNGLKHVSA-N 0 3 286.375 2.196 20 30 CEEDHN CCN(CC)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000291686018 395153639 /nfs/dbraw/zinc/15/36/39/395153639.db2.gz JJEHCJHOBNVSSK-AWEZNQCLSA-N 0 3 257.337 2.005 20 30 CEEDHN CN(C(=O)CCN1CCc2ccccc2C1)C1(C#N)CCC1 ZINC000348900060 395153784 /nfs/dbraw/zinc/15/37/84/395153784.db2.gz KUGMQLUKAZNALZ-UHFFFAOYSA-N 0 3 297.402 2.339 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CCN1CCc2ccccc2C1 ZINC000348939066 395154832 /nfs/dbraw/zinc/15/48/32/395154832.db2.gz FRIVMVBBEYPMNQ-HNNXBMFYSA-N 0 3 299.418 2.443 20 30 CEEDHN C[C@@H](c1ccccc1)[C@H](NCc1ccc(C#N)cc1)C(N)=O ZINC000428825816 395155335 /nfs/dbraw/zinc/15/53/35/395155335.db2.gz BMCLDEOPQJSXLI-GUYCJALGSA-N 0 3 293.370 2.305 20 30 CEEDHN COc1ccc(CN[C@@H]2CCOC2)cc1OCCCC#N ZINC000178996723 395176144 /nfs/dbraw/zinc/17/61/44/395176144.db2.gz ISKGYWAKDGFBCL-CQSZACIVSA-N 0 3 290.363 2.256 20 30 CEEDHN CCc1ccc(C#CC(=O)N2CCC[C@H]2CN(C)C)cc1 ZINC000293317098 395228237 /nfs/dbraw/zinc/22/82/37/395228237.db2.gz XINPCMDZRZJCJR-KRWDZBQOSA-N 0 3 284.403 2.153 20 30 CEEDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(C#N)c1 ZINC000181977929 395229496 /nfs/dbraw/zinc/22/94/96/395229496.db2.gz FVNDFHFRDUPKPI-NSHDSACASA-N 0 3 285.307 2.014 20 30 CEEDHN C#CCNC(=O)CCN(CC)Cc1ccc(Cl)s1 ZINC000293372308 395231549 /nfs/dbraw/zinc/23/15/49/395231549.db2.gz FTNNUQPPSLUEOZ-UHFFFAOYSA-N 0 3 284.812 2.363 20 30 CEEDHN CCc1ccc(C#CC(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000293401809 395233102 /nfs/dbraw/zinc/23/31/02/395233102.db2.gz SDHXWCLDWDOVSF-QGZVFWFLSA-N 0 3 284.403 2.153 20 30 CEEDHN C#CCNC(=O)CCN(Cc1ccco1)C1CCCC1 ZINC000293439096 395234217 /nfs/dbraw/zinc/23/42/17/395234217.db2.gz JUZADJYCNQGLNZ-UHFFFAOYSA-N 0 3 274.364 2.164 20 30 CEEDHN C#CCNC(=O)CCN1CCC[C@H]1c1ccsc1 ZINC000293417573 395234430 /nfs/dbraw/zinc/23/44/30/395234430.db2.gz IMZNYVXLUOUJJY-ZDUSSCGKSA-N 0 3 262.378 2.025 20 30 CEEDHN C#CCNC(=O)CCN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000293456996 395236285 /nfs/dbraw/zinc/23/62/85/395236285.db2.gz KZMSCMKRCAJZRD-LBPRGKRZSA-N 0 3 278.783 2.472 20 30 CEEDHN N#Cc1ccc(Cn2cc3c(n2)[C@@H](N)CCC3)cc1 ZINC000517230742 395188384 /nfs/dbraw/zinc/18/83/84/395188384.db2.gz TXALWVVLZVCCOK-AWEZNQCLSA-N 0 3 252.321 2.139 20 30 CEEDHN CO[C@@](C)([C@H](C)NCc1ccc(C#N)cn1)C1CC1 ZINC000519605507 395197527 /nfs/dbraw/zinc/19/75/27/395197527.db2.gz JOIAXKFKCQWUEU-NHYWBVRUSA-N 0 3 259.353 2.246 20 30 CEEDHN CCCC[C@@H](C)N(C)CC(=O)N(CCC#N)CCC#N ZINC000352409833 395251694 /nfs/dbraw/zinc/25/16/94/395251694.db2.gz MAZLVXKDYKHVED-CQSZACIVSA-N 0 3 278.400 2.153 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(c2ncc[nH]2)CC1 ZINC000520833185 395252733 /nfs/dbraw/zinc/25/27/33/395252733.db2.gz NUSQLBQGIOUVMN-ZDUSSCGKSA-N 0 3 281.363 2.165 20 30 CEEDHN COc1ccc(CN[C@@]23C[C@@H]2COC3(C)C)cc1C#N ZINC000527768018 395280944 /nfs/dbraw/zinc/28/09/44/395280944.db2.gz ZUAIYEDUUUZIPI-CJNGLKHVSA-N 0 3 272.348 2.224 20 30 CEEDHN C=CCN(CC1CCCCC1)C[C@@](C)(O)C(C)=O ZINC000411253108 395325067 /nfs/dbraw/zinc/32/50/67/395325067.db2.gz CSWNFAIDWQZFGN-OAHLLOKOSA-N 0 3 253.386 2.395 20 30 CEEDHN CC#CCCCC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000185896722 395283406 /nfs/dbraw/zinc/28/34/06/395283406.db2.gz BIIGKXDACNQXNY-CABCVRRESA-N 0 3 262.397 2.123 20 30 CEEDHN N#Cc1cccc2c1CN(C(=O)C1(N)CCCCC1)C2 ZINC000405062799 395287684 /nfs/dbraw/zinc/28/76/84/395287684.db2.gz SXFSWPHHSXTYRB-UHFFFAOYSA-N 0 3 269.348 2.062 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528784591 395295100 /nfs/dbraw/zinc/29/51/00/395295100.db2.gz POEUTLXHIPCDCW-GQIGUUNPSA-N 0 3 288.416 2.352 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000183490156 395257611 /nfs/dbraw/zinc/25/76/11/395257611.db2.gz BUULXAPSCIEVLI-INIZCTEOSA-N 0 3 297.402 2.456 20 30 CEEDHN C#CCN(C)CCCNC(=O)CSc1ccccc1C ZINC000294022469 395262481 /nfs/dbraw/zinc/26/24/81/395262481.db2.gz QRPYINZTOHTRCR-UHFFFAOYSA-N 0 3 290.432 2.158 20 30 CEEDHN CC1(C)CCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000527164409 395277243 /nfs/dbraw/zinc/27/72/43/395277243.db2.gz BHSDGKMIELSVIP-AWEZNQCLSA-N 0 3 267.332 2.251 20 30 CEEDHN COc1cc(CN[C@H](C)Cc2cnccn2)ccc1C#N ZINC000440798162 395359434 /nfs/dbraw/zinc/35/94/34/395359434.db2.gz GKIVBKWWIKHPQX-GFCCVEGCSA-N 0 3 282.347 2.078 20 30 CEEDHN C#CCCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000192194151 395375471 /nfs/dbraw/zinc/37/54/71/395375471.db2.gz MLKGVVMXSVLERF-RDJZCZTQSA-N 0 3 270.376 2.352 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCCNC(=O)c2ccc(Cl)cc2)C1 ZINC000442788619 395395012 /nfs/dbraw/zinc/39/50/12/395395012.db2.gz WYNPTUMLMLQOAW-RISCZKNCSA-N 0 3 291.782 2.352 20 30 CEEDHN C[C@H](O)CN1CCN(CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411576247 395332153 /nfs/dbraw/zinc/33/21/53/395332153.db2.gz XIRUICFLDJUADD-HOTGVXAUSA-N 0 3 293.455 2.237 20 30 CEEDHN C[C@@H](O)CN1CCN(CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411576249 395332311 /nfs/dbraw/zinc/33/23/11/395332311.db2.gz XIRUICFLDJUADD-JKSUJKDBSA-N 0 3 293.455 2.237 20 30 CEEDHN CO[C@@H]1CN(CCC2(C#N)CCCCC2)C[C@@H]1OC ZINC000411635107 395333940 /nfs/dbraw/zinc/33/39/40/395333940.db2.gz QKHKKUOOVRVSCU-OKILXGFUSA-N 0 3 266.385 2.196 20 30 CEEDHN C=CCCCCCN1CCN(CCOCC)CC1 ZINC000193336282 395407229 /nfs/dbraw/zinc/40/72/29/395407229.db2.gz YFDFQFXQFSXQAS-UHFFFAOYSA-N 0 3 254.418 2.387 20 30 CEEDHN Cc1cc(CN[C@H](C)CO[C@H]2CCOC2)ccc1C#N ZINC000443987763 395409788 /nfs/dbraw/zinc/40/97/88/395409788.db2.gz LCUWMYCUMPKYQY-CJNGLKHVSA-N 0 3 274.364 2.150 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)nc1 ZINC000566413972 395519893 /nfs/dbraw/zinc/51/98/93/395519893.db2.gz KFDQZVAQLNPQLJ-QAPCUYQASA-N 0 3 296.418 2.402 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NCc1cccc(CN(C)C)c1 ZINC000448639738 395526048 /nfs/dbraw/zinc/52/60/48/395526048.db2.gz BMCWUXZLGDKHCF-UHFFFAOYSA-N 0 3 296.374 2.186 20 30 CEEDHN C[C@H](CNC[C@H](C#N)CCC#N)N1CCc2ccccc2C1 ZINC000567771867 395535771 /nfs/dbraw/zinc/53/57/71/395535771.db2.gz NTIRGPWSIMBBFS-CVEARBPZSA-N 0 3 296.418 2.466 20 30 CEEDHN C[C@H]1C[C@@]1(C#N)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000448776032 395538636 /nfs/dbraw/zinc/53/86/36/395538636.db2.gz DMHBIPKEFUKWCA-WWGRRREGSA-N 0 3 277.412 2.163 20 30 CEEDHN C=CCC1(C(=O)NC[C@H](C)N2CCCC2)CCC1 ZINC000569640443 395580106 /nfs/dbraw/zinc/58/01/06/395580106.db2.gz GMEYABULIFRIBJ-ZDUSSCGKSA-N 0 3 250.386 2.333 20 30 CEEDHN CC[C@@H](CC#N)NCCCCN1C(=O)c2ccccc2C1=O ZINC000570223217 395581844 /nfs/dbraw/zinc/58/18/44/395581844.db2.gz OUNSIIUUZSABSE-ZDUSSCGKSA-N 0 3 299.374 2.345 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H]2C2CC2)cc1 ZINC000570369177 395582156 /nfs/dbraw/zinc/58/21/56/395582156.db2.gz LSYLAMGXAMQDNH-CVEARBPZSA-N 0 3 279.343 2.251 20 30 CEEDHN CC1(C#N)CN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000572131706 395585640 /nfs/dbraw/zinc/58/56/40/395585640.db2.gz LIIUMEALQUYHPI-UHFFFAOYSA-N 0 3 298.434 2.044 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1ncc(CC)o1 ZINC000572341696 395586058 /nfs/dbraw/zinc/58/60/58/395586058.db2.gz WKQDOTXEVFLWES-UHFFFAOYSA-N 0 3 251.374 2.177 20 30 CEEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)cn2)C12CCC2 ZINC000573872403 395621995 /nfs/dbraw/zinc/62/19/95/395621995.db2.gz RTGZDOJXTJZKAX-CABCVRRESA-N 0 3 271.364 2.391 20 30 CEEDHN COC[C@H](NCc1ccc(C#N)c(F)c1)C1CCOCC1 ZINC000453370119 395628072 /nfs/dbraw/zinc/62/80/72/395628072.db2.gz FNAZTYCRTUYTLU-INIZCTEOSA-N 0 3 292.354 2.229 20 30 CEEDHN CN(CCC(=O)Nc1cccc(C#N)c1)c1ccncc1 ZINC000574833656 395638619 /nfs/dbraw/zinc/63/86/19/395638619.db2.gz FCHOPPIUIFZHBK-UHFFFAOYSA-N 0 3 280.331 2.418 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)C1CCN(OC)CC1 ZINC000459586948 395666430 /nfs/dbraw/zinc/66/64/30/395666430.db2.gz YLBZJZSKKRIUDY-UHFFFAOYSA-N 0 3 289.379 2.024 20 30 CEEDHN CC(C)[C@H]1CN(Cc2cccc(C#N)c2)CCN1C ZINC000487973409 395667779 /nfs/dbraw/zinc/66/77/79/395667779.db2.gz SPKPBUFIAZZHKN-MRXNPFEDSA-N 0 3 257.381 2.330 20 30 CEEDHN Cc1cc(CN2CCN(C[C@H]3CCOC3)CC2)ccc1C#N ZINC000488211957 395668025 /nfs/dbraw/zinc/66/80/25/395668025.db2.gz POHGADSHBZCMHH-QGZVFWFLSA-N 0 3 299.418 2.021 20 30 CEEDHN C[C@@H]1C[C@H]1CN1CCN(c2ccccc2C#N)CC1 ZINC000488302770 395668326 /nfs/dbraw/zinc/66/83/26/395668326.db2.gz VVNMAYBICMLTJU-HIFRSBDPSA-N 0 3 255.365 2.336 20 30 CEEDHN CCN1CCC(NC(=O)/C=C\c2ccc(C#N)cc2)CC1 ZINC000490819595 395669025 /nfs/dbraw/zinc/66/90/25/395669025.db2.gz DPMJQNXUBAOBPQ-FPLPWBNLSA-N 0 3 283.375 2.172 20 30 CEEDHN C#C[C@@H](NC(=O)N(C)[C@H](C)C1CCN(C)CC1)C(C)C ZINC000491738349 395670629 /nfs/dbraw/zinc/67/06/29/395670629.db2.gz WQFUEXSJOQQLDC-UKRRQHHQSA-N 0 3 279.428 2.016 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C\c1ccc(C#N)cc1 ZINC000492142699 395670937 /nfs/dbraw/zinc/67/09/37/395670937.db2.gz DSYGTWFHFOJZBG-RQFJDZDGSA-N 0 3 295.386 2.170 20 30 CEEDHN C=CCCCC[C@@H](C)NCc1nnc2n1CCOC2 ZINC000648556043 395929178 /nfs/dbraw/zinc/92/91/78/395929178.db2.gz DPQNHLQKYDXKID-GFCCVEGCSA-N 0 3 264.373 2.033 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([C@H](C)CO)CC1 ZINC000649803807 396261871 /nfs/dbraw/zinc/26/18/71/396261871.db2.gz QKLWJBAJEXXJSB-CABCVRRESA-N 0 3 296.455 2.140 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000649829361 396270340 /nfs/dbraw/zinc/27/03/40/396270340.db2.gz HHAUMBMKICJLCQ-ZWKOTPCHSA-N 0 3 288.435 2.172 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccnn1CC(C)C ZINC000647215323 396443019 /nfs/dbraw/zinc/44/30/19/396443019.db2.gz PMOOZCDRIAKIDR-CABCVRRESA-N 0 3 263.385 2.362 20 30 CEEDHN CC(C)C[C@H](C)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000163066883 297457220 /nfs/dbraw/zinc/45/72/20/297457220.db2.gz ATZWDNFKBZWBLU-ZDUSSCGKSA-N 0 3 294.420 2.356 20 30 CEEDHN CC(C)C[C@H](C)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000155052916 289162962 /nfs/dbraw/zinc/16/29/62/289162962.db2.gz VWMYJDUYSSHOEP-FZMZJTMJSA-N 0 3 259.353 2.109 20 30 CEEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)CC1(C#N)CC1 ZINC000434746711 400578741 /nfs/dbraw/zinc/57/87/41/400578741.db2.gz JUIOUNKPYIHARV-HOTGVXAUSA-N 0 3 284.407 2.310 20 30 CEEDHN CCOC(=O)CCNC(C)(C)c1cccc(C#N)c1 ZINC000595634820 400616190 /nfs/dbraw/zinc/61/61/90/400616190.db2.gz DYTPJCVIMLPWPO-UHFFFAOYSA-N 0 3 260.337 2.336 20 30 CEEDHN CCOCCOCCN(C)Cc1ccc(C#N)c(C)c1 ZINC000489032510 400587800 /nfs/dbraw/zinc/58/78/00/400587800.db2.gz AUOKLBYVKBLLHZ-UHFFFAOYSA-N 0 3 276.380 2.352 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cc(F)c(OC)cc1OC ZINC000651824098 401399589 /nfs/dbraw/zinc/39/95/89/401399589.db2.gz GNKXTCMELHVVMI-LBPRGKRZSA-N 0 3 283.343 2.260 20 30 CEEDHN C=C(C)COc1cc(CN[C@@H](CO)CCF)ccc1OC ZINC000652017169 401433155 /nfs/dbraw/zinc/43/31/55/401433155.db2.gz PMASQDRPFPFCQU-CQSZACIVSA-N 0 3 297.370 2.460 20 30 CEEDHN Cc1cc(CNC(=O)C(C#N)CCc2ccccc2)n(C)n1 ZINC000356027338 533676059 /nfs/dbraw/zinc/67/60/59/533676059.db2.gz ALPCSFVVLZHBJY-HNNXBMFYSA-N 0 3 296.374 2.117 20 30 CEEDHN Cn1cc(CN[C@@H]2CCCC[C@H]2n2cccn2)cc1C#N ZINC000191264560 153166170 /nfs/dbraw/zinc/16/61/70/153166170.db2.gz UTDJYDPIWHSYDM-HZPDHXFCSA-N 0 3 283.379 2.367 20 30 CEEDHN Cn1cc(CNCC[C@H](O)c2ccccc2)cc1C#N ZINC000289517046 154166359 /nfs/dbraw/zinc/16/63/59/154166359.db2.gz VBHQBKVNKZOKAO-INIZCTEOSA-N 0 3 269.348 2.110 20 30 CEEDHN COCCN(CCC[C@@H](C)O)Cc1ccc(C#N)cc1 ZINC000354866692 154354799 /nfs/dbraw/zinc/35/47/99/154354799.db2.gz SPMXWXUPYDITAC-CQSZACIVSA-N 0 3 276.380 2.168 20 30 CEEDHN C[C@H]1C[C@H](Nc2ccncc2C#N)CN1Cc1ccccc1 ZINC000375389367 157090659 /nfs/dbraw/zinc/09/06/59/157090659.db2.gz GDWPLYOXWVJVGT-YOEHRIQHSA-N 0 3 292.386 2.450 20 30 CEEDHN Cc1cc(C#N)nc(N2CCC[C@@H](N3CCCCC3)C2)n1 ZINC000376188570 157195153 /nfs/dbraw/zinc/19/51/53/157195153.db2.gz QKPMWYLOMVWOKR-OAHLLOKOSA-N 0 3 285.395 2.111 20 30 CEEDHN COc1ccc(CN[C@H]2Cc3ccccc3[C@@H]2O)cc1C#N ZINC000174400774 165105785 /nfs/dbraw/zinc/10/57/85/165105785.db2.gz UMHUQNJAJLJQNN-WMZOPIPTSA-N 0 3 294.354 2.315 20 30 CEEDHN CN(C)[C@@H]1CCCN(C(=O)c2cc(C#N)ccc2Cl)C1 ZINC000285189514 196217060 /nfs/dbraw/zinc/21/70/60/196217060.db2.gz DRJUTDCOXPHVSK-GFCCVEGCSA-N 0 3 291.782 2.378 20 30 CEEDHN CS(=O)(=O)C1(CNCc2cccc(C#N)c2)CCCC1 ZINC000285351875 196257341 /nfs/dbraw/zinc/25/73/41/196257341.db2.gz AUHYITHWQBZPLB-UHFFFAOYSA-N 0 3 292.404 2.005 20 30 CEEDHN CO[C@H]1C[C@@H](N(C)CCOc2ccccc2C#N)C1 ZINC000285390975 196270352 /nfs/dbraw/zinc/27/03/52/196270352.db2.gz OBDHZQXBAZJVSJ-OKILXGFUSA-N 0 3 260.337 2.046 20 30 CEEDHN C[C@@H](NC(=O)c1ccc(F)c(C#N)c1)C1=CCN(C)CC1 ZINC000285773010 196394007 /nfs/dbraw/zinc/39/40/07/196394007.db2.gz JMCYEEGGBPYNGR-LLVKDONJSA-N 0 3 287.338 2.078 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000662857847 414776630 /nfs/dbraw/zinc/77/66/30/414776630.db2.gz RKAAPIJOTSCHJU-NEPJUHHUSA-N 0 3 272.339 2.046 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](C)CCN2)C1 ZINC000662857143 414777039 /nfs/dbraw/zinc/77/70/39/414777039.db2.gz FVQVTZBSFMKSLJ-BFHYXJOUSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCCNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000660385916 414798210 /nfs/dbraw/zinc/79/82/10/414798210.db2.gz BVVBCYXCIAOQGU-UHFFFAOYSA-N 0 3 291.395 2.002 20 30 CEEDHN COCC1(NCC#Cc2cccc(Cl)c2)CCOCC1 ZINC000660633635 414907749 /nfs/dbraw/zinc/90/77/49/414907749.db2.gz AAUXYMXCXQISFH-UHFFFAOYSA-N 0 3 293.794 2.477 20 30 CEEDHN C=C(C)COCCNCc1c(C2CCC2)cnn1C ZINC000657400482 414914432 /nfs/dbraw/zinc/91/44/32/414914432.db2.gz ZCKNOTBYKXNUMA-UHFFFAOYSA-N 0 3 263.385 2.370 20 30 CEEDHN C=CC[C@H](C)NC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000660681956 414935357 /nfs/dbraw/zinc/93/53/57/414935357.db2.gz YXISRNAEVMFKDG-KBPBESRZSA-N 0 3 267.417 2.371 20 30 CEEDHN C=C(CC)CN[C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660601194 414894246 /nfs/dbraw/zinc/89/42/46/414894246.db2.gz BZYRNEZYENATGZ-AWEZNQCLSA-N 0 3 263.385 2.180 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654314195 414900070 /nfs/dbraw/zinc/90/00/70/414900070.db2.gz HGSYLGMGRXUXSL-CHWSQXEVSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCc1cc(CN[C@@H](C)C2(CO)CC2)cc(OC)c1O ZINC000657604300 415020173 /nfs/dbraw/zinc/02/01/73/415020173.db2.gz USXMCIBHBSDDKX-LBPRGKRZSA-N 0 3 291.391 2.380 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000660854823 415009585 /nfs/dbraw/zinc/00/95/85/415009585.db2.gz FAKQTOWAJBNGLE-YUELXQCFSA-N 0 3 277.412 2.362 20 30 CEEDHN C=CCCCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654549426 414968983 /nfs/dbraw/zinc/96/89/83/414968983.db2.gz OQLXMHSTMJFTQA-KGLIPLIRSA-N 0 3 265.401 2.269 20 30 CEEDHN C=CC[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccon1 ZINC000661119258 415103241 /nfs/dbraw/zinc/10/32/41/415103241.db2.gz QVYHPYTZNQFUHA-RYUDHWBXSA-N 0 3 263.341 2.338 20 30 CEEDHN C=C(C)CCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661265813 415169833 /nfs/dbraw/zinc/16/98/33/415169833.db2.gz OXLCVYZZWUFRNQ-LBPRGKRZSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CC(C)(C)CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661268355 415170769 /nfs/dbraw/zinc/17/07/69/415170769.db2.gz AMXYRJROJWGEGK-GFCCVEGCSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CCOc1ccccc1C(=O)NC[C@H]1CCCN1CC ZINC000045056690 175297913 /nfs/dbraw/zinc/29/79/13/175297913.db2.gz IVIUTQYVABKXCZ-CQSZACIVSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CC[C@H]1CCCN(CCCCS(C)(=O)=O)C1 ZINC000661380543 415232310 /nfs/dbraw/zinc/23/23/10/415232310.db2.gz NXYLQPBEKNBITB-ZDUSSCGKSA-N 0 3 259.415 2.099 20 30 CEEDHN C=CCN(CC=C)C[C@@H](O)COc1cccc(C)c1 ZINC000046345407 175395832 /nfs/dbraw/zinc/39/58/32/175395832.db2.gz HHXGCINOIJPZQL-OAHLLOKOSA-N 0 3 261.365 2.409 20 30 CEEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc(C(N)=O)cs1 ZINC000658235650 415268733 /nfs/dbraw/zinc/26/87/33/415268733.db2.gz QDMCMOPVOIMFRT-QWRGUYRKSA-N 0 3 279.409 2.467 20 30 CEEDHN C=CCC[C@H](O)CN[C@H](COC)c1cccc(OC)c1 ZINC000661476772 415277486 /nfs/dbraw/zinc/27/74/86/415277486.db2.gz CNJFHVBAWASBNA-GOEBONIOSA-N 0 3 279.380 2.299 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCCN1CC ZINC000664213959 415229294 /nfs/dbraw/zinc/22/92/94/415229294.db2.gz UKNADCCYQUVMOK-ZNMIVQPWSA-N 0 3 277.412 2.363 20 30 CEEDHN C=CCN(CCNS(=O)(=O)c1ccccc1)C(C)(C)C ZINC000661756067 415445160 /nfs/dbraw/zinc/44/51/60/415445160.db2.gz BTUCVRHKHYVNPL-UHFFFAOYSA-N 0 3 296.436 2.251 20 30 CEEDHN C=CCC[C@H](CO)N[C@H](C)c1ccnc(OC)c1 ZINC000655774588 415454930 /nfs/dbraw/zinc/45/49/30/415454930.db2.gz XWAJVUHEGKFYOT-DGCLKSJQSA-N 0 3 250.342 2.068 20 30 CEEDHN C=CCCn1cc(CN2CCNC[C@@H]2c2ccccc2)nn1 ZINC000655939951 415559620 /nfs/dbraw/zinc/55/96/20/415559620.db2.gz NCVRAACJDBLCRO-QGZVFWFLSA-N 0 3 297.406 2.001 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCOCCC(C)C ZINC000662081437 415614596 /nfs/dbraw/zinc/61/45/96/415614596.db2.gz WKEYSYRFYDSCAX-IYBDPMFKSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C[C@H](CO)NCc1cccc(Br)c1C ZINC000662168417 415667714 /nfs/dbraw/zinc/66/77/14/415667714.db2.gz FULMPYLJBVCTNC-LLVKDONJSA-N 0 3 270.170 2.394 20 30 CEEDHN C=C[C@H](CO)NCCSc1ccc(F)cc1F ZINC000662169865 415670353 /nfs/dbraw/zinc/67/03/53/415670353.db2.gz WCQVMTFTJMKWPY-SNVBAGLBSA-N 0 3 259.321 2.193 20 30 CEEDHN C=CCN(C(=O)N[C@H]1CCN(C(C)(C)C)C1)C1CC1 ZINC000665554996 415777999 /nfs/dbraw/zinc/77/79/99/415777999.db2.gz VYIHXWFTXZDWNB-LBPRGKRZSA-N 0 3 265.401 2.219 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000665557584 415776958 /nfs/dbraw/zinc/77/69/58/415776958.db2.gz ZFCAHROCQRPMPT-ZDUSSCGKSA-N 0 3 267.417 2.467 20 30 CEEDHN CCN(CCC#N)C(=O)CN(CCC(C)C)C1CC1 ZINC000076904406 177130492 /nfs/dbraw/zinc/13/04/92/177130492.db2.gz HGMGOEOGSLHLBN-UHFFFAOYSA-N 0 3 265.401 2.259 20 30 CEEDHN CC(C#N)C(=O)NC1(c2ccc(F)cc2)CCOCC1 ZINC000334632314 225171669 /nfs/dbraw/zinc/17/16/69/225171669.db2.gz HLBSICJQRWRKQW-NSHDSACASA-N 0 3 276.311 2.107 20 30 CEEDHN Cc1nc2c(s1)[C@H](N(C)C(=O)C(C)C#N)CCC2 ZINC000334685264 225248162 /nfs/dbraw/zinc/24/81/62/225248162.db2.gz VWVRHYBVNMSSJK-LDYMZIIASA-N 0 3 263.366 2.447 20 30 CEEDHN C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)CN1 ZINC000334867053 225341940 /nfs/dbraw/zinc/34/19/40/225341940.db2.gz RFYHKSACLXXCRN-ZJUUUORDSA-N 0 3 292.770 2.426 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000347060657 226008196 /nfs/dbraw/zinc/00/81/96/226008196.db2.gz DEQGLYXJTWBEHI-MRVPVSSYSA-N 0 3 272.226 2.361 20 30 CEEDHN CC(C#N)C(=O)NCc1ccccc1OCC(F)(F)F ZINC000347084192 226042188 /nfs/dbraw/zinc/04/21/88/226042188.db2.gz YVWCBOCCCUYTAB-VIFPVBQESA-N 0 3 286.253 2.404 20 30 CEEDHN C=CCN1CCC(NC(=O)N(CCCC)CCOC)CC1 ZINC000171760859 335077834 /nfs/dbraw/zinc/07/78/34/335077834.db2.gz OFFVDRGHTKGQEV-UHFFFAOYSA-N 0 3 297.443 2.095 20 30 CEEDHN N#Cc1csc(CN[C@@H](CCO)C2CCCCC2)n1 ZINC000352796909 227232155 /nfs/dbraw/zinc/23/21/55/227232155.db2.gz LDINOHIHXCMDIQ-ZDUSSCGKSA-N 0 3 279.409 2.436 20 30 CEEDHN N#Cc1csc(CN2CCC[C@H]2CN2CCCCC2)n1 ZINC000356053911 228103180 /nfs/dbraw/zinc/10/31/80/228103180.db2.gz JLVICAXQQGUTOA-AWEZNQCLSA-N 0 3 290.436 2.465 20 30 CEEDHN [O-]C(N[C@H]1CCn2ccnc2C1)=[NH+]C[C@@H]1CC=CCC1 ZINC000330187726 228060305 /nfs/dbraw/zinc/06/03/05/228060305.db2.gz KPGBENGUFXCSNV-OLZOCXBDSA-N 0 3 274.368 2.058 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN1CC[C@H](C2CCCC2)C1)C1CC1 ZINC000333762897 228212841 /nfs/dbraw/zinc/21/28/41/228212841.db2.gz CYMDHWKRBUKSGJ-YOEHRIQHSA-N 0 3 289.423 2.307 20 30 CEEDHN N#CC(C(=O)Nc1cc(F)cc(F)c1)c1ccncn1 ZINC000352307776 228217226 /nfs/dbraw/zinc/21/72/26/228217226.db2.gz VKXNVDWBTXHSAH-NSHDSACASA-N 0 3 274.230 2.001 20 30 CEEDHN C=CCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000665946749 419487049 /nfs/dbraw/zinc/48/70/49/419487049.db2.gz VGNLNWKKLYYZPW-UHFFFAOYSA-N 0 3 265.401 2.222 20 30 CEEDHN C=C[C@@](C)(O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000667012418 419515559 /nfs/dbraw/zinc/51/55/59/419515559.db2.gz DAOICTFJCDRBRY-QGZVFWFLSA-N 0 3 294.439 2.038 20 30 CEEDHN N#Cc1ccc(OCCN2CCC(CCO)CC2)cc1 ZINC000401059877 260138749 /nfs/dbraw/zinc/13/87/49/260138749.db2.gz FRDJJKAOHYCGSW-UHFFFAOYSA-N 0 3 274.364 2.031 20 30 CEEDHN CC#CCNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000368441794 261268669 /nfs/dbraw/zinc/26/86/69/261268669.db2.gz HWHOZNSAVMACKN-UHFFFAOYSA-N 0 3 299.418 2.236 20 30 CEEDHN C#CCNC(=O)CCN[C@H](CC)c1ccccc1OCC ZINC000491122024 261338523 /nfs/dbraw/zinc/33/85/23/261338523.db2.gz SWVSHNADQQQBST-OAHLLOKOSA-N 0 3 288.391 2.266 20 30 CEEDHN C#CCN(C(=O)NC[C@@H](C)N1CCCC[C@@H]1C)C1CC1 ZINC000491231698 261381975 /nfs/dbraw/zinc/38/19/75/261381975.db2.gz VMYJPKRQTVKUAR-UONOGXRCSA-N 0 3 277.412 2.057 20 30 CEEDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)CCCC#N)C1 ZINC000361774838 261391563 /nfs/dbraw/zinc/39/15/63/261391563.db2.gz CLSKBNOPXRLWAU-CQSZACIVSA-N 0 3 271.364 2.200 20 30 CEEDHN COc1ccc([C@@H](O)CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185770956 262069761 /nfs/dbraw/zinc/06/97/61/262069761.db2.gz DTUXBXDCFWEDEI-BJJXKVORSA-N 0 3 274.364 2.401 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@](CC)(CO)C1 ZINC000187568578 262141072 /nfs/dbraw/zinc/14/10/72/262141072.db2.gz UNOZYRSTEZERRL-DOTOQJQBSA-N 0 3 294.439 2.060 20 30 CEEDHN COc1ccccc1[C@@H](O)CN[C@H]1CCC[C@H](C#N)C1 ZINC000192712360 262209670 /nfs/dbraw/zinc/20/96/70/262209670.db2.gz ZBPDWVDHTUXOJX-YDHLFZDLSA-N 0 3 274.364 2.401 20 30 CEEDHN C[C@H]1CCNC(=O)[C@@H]1NCc1ccccc1C(C)(C)C#N ZINC000193637425 262224910 /nfs/dbraw/zinc/22/49/10/262224910.db2.gz HXLQRHOBQNOGAN-SWLSCSKDSA-N 0 3 285.391 2.102 20 30 CEEDHN CC#CCN1CCC(c2nnc3cc(C)ccn32)CC1 ZINC000364610871 262256078 /nfs/dbraw/zinc/25/60/78/262256078.db2.gz KHFBROWFNOELDO-UHFFFAOYSA-N 0 3 268.364 2.240 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000160830687 262301395 /nfs/dbraw/zinc/30/13/95/262301395.db2.gz PJCCBTSPMHCMIS-ZIAGYGMSSA-N 0 3 298.390 2.214 20 30 CEEDHN C#CCCCC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000365262593 262356482 /nfs/dbraw/zinc/35/64/82/262356482.db2.gz GBXLKWRKVLKOAL-UHFFFAOYSA-N 0 3 299.418 2.008 20 30 CEEDHN CN(CCCNC(=O)NCCCC#N)Cc1ccccc1 ZINC000273013196 263010989 /nfs/dbraw/zinc/01/09/89/263010989.db2.gz BDCKPKSYNPCZBU-UHFFFAOYSA-N 0 3 288.395 2.111 20 30 CEEDHN C[C@@H](NCCCC#N)c1cccc(N2CCOCC2)c1 ZINC000273295869 263014798 /nfs/dbraw/zinc/01/47/98/263014798.db2.gz TVDLGFRPKDWXGC-CQSZACIVSA-N 0 3 273.380 2.478 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(C#N)CCC1 ZINC000274151936 263021550 /nfs/dbraw/zinc/02/15/50/263021550.db2.gz DXXAYCJNYGYUSI-HOCLYGCPSA-N 0 3 297.402 2.317 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1[C@H](C)CCC1(C)C ZINC000452003296 263022229 /nfs/dbraw/zinc/02/22/29/263022229.db2.gz GBQQEHUWFCYYCK-QWHCGFSZSA-N 0 3 265.401 2.257 20 30 CEEDHN N#Cc1cccc(CN2CC[C@@H](CCCO)C2)c1F ZINC000452116683 263037992 /nfs/dbraw/zinc/03/79/92/263037992.db2.gz HGIKVVGHBVNMCC-GFCCVEGCSA-N 0 3 262.328 2.292 20 30 CEEDHN CC(C)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279710942 263056797 /nfs/dbraw/zinc/05/67/97/263056797.db2.gz LBJQAHVTNXKFRY-CQSZACIVSA-N 0 3 255.321 2.107 20 30 CEEDHN C=CCSCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280019149 263058628 /nfs/dbraw/zinc/05/86/28/263058628.db2.gz MKVFDQBHQRBQTR-HNNXBMFYSA-N 0 3 299.399 2.276 20 30 CEEDHN C[C@@H](NC(=O)C1(C#N)CCC1)[C@@H](c1ccccc1)N(C)C ZINC000280137413 263059236 /nfs/dbraw/zinc/05/92/36/263059236.db2.gz VPZZAWWOWLWJSP-HIFRSBDPSA-N 0 3 285.391 2.488 20 30 CEEDHN C=CCN(CCc1ccco1)CCN1CCO[C@@H](C)C1 ZINC000283208171 263081846 /nfs/dbraw/zinc/08/18/46/263081846.db2.gz GWUVZUORHVMXIW-HNNXBMFYSA-N 0 3 278.396 2.031 20 30 CEEDHN C[C@H](NCCCC#N)c1cccc(-n2ccnn2)c1 ZINC000287802968 263102690 /nfs/dbraw/zinc/10/26/90/263102690.db2.gz UHCBWPZWBANRCP-LBPRGKRZSA-N 0 3 255.325 2.222 20 30 CEEDHN C[C@H]1C[C@@H](CO)CCN1Cc1ccc(OCC#N)cc1 ZINC000289084935 263107343 /nfs/dbraw/zinc/10/73/43/263107343.db2.gz TXCOWECXYWOMFT-ZFWWWQNUSA-N 0 3 274.364 2.182 20 30 CEEDHN C[C@H]1C[C@@H](O)CCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000292890100 263136093 /nfs/dbraw/zinc/13/60/93/263136093.db2.gz YVPWERBKWFICLF-YOEHRIQHSA-N 0 3 287.407 2.382 20 30 CEEDHN C[C@@H](NCCOCCC#N)c1ccc(-n2cccn2)cc1 ZINC000294447696 263161893 /nfs/dbraw/zinc/16/18/93/263161893.db2.gz FSINAKBEHZDVQB-CQSZACIVSA-N 0 3 284.363 2.453 20 30 CEEDHN C=C[C@H](CO)N[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000353568724 263171740 /nfs/dbraw/zinc/17/17/40/263171740.db2.gz BIGBQTCAZUMKHV-ZYHUDNBSSA-N 0 3 274.364 2.114 20 30 CEEDHN CS[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000295536110 263179156 /nfs/dbraw/zinc/17/91/56/263179156.db2.gz KJHZCJUUVHTLCX-GJZGRUSLSA-N 0 3 299.399 2.204 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000298046931 263214046 /nfs/dbraw/zinc/21/40/46/263214046.db2.gz DSYNAMOZBGDNJO-OCCSQVGLSA-N 0 3 270.336 2.099 20 30 CEEDHN C#CCN(C)CCC(=O)Nc1ccccc1Br ZINC000298555636 263222141 /nfs/dbraw/zinc/22/21/41/263222141.db2.gz OSRCFDRIVCIRIC-UHFFFAOYSA-N 0 3 295.180 2.343 20 30 CEEDHN C[C@@H]1C[C@@H](O)CN1Cc1cccc(OCCCC#N)c1 ZINC000471802665 263266344 /nfs/dbraw/zinc/26/63/44/263266344.db2.gz BYCGTZUQVORJPQ-UKRRQHHQSA-N 0 3 274.364 2.324 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 ZINC000340716093 263303800 /nfs/dbraw/zinc/30/38/00/263303800.db2.gz NNPOZEGQJYHNOJ-QWRGUYRKSA-N 0 3 284.319 2.116 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000340974462 263316908 /nfs/dbraw/zinc/31/69/08/263316908.db2.gz QVGUOYSEZRESGH-SWHYSGLUSA-N 0 3 291.782 2.361 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000341488439 263339499 /nfs/dbraw/zinc/33/94/99/263339499.db2.gz IDUYFTVBCVATRZ-TZMCWYRMSA-N 0 3 265.401 2.219 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000341871813 263360587 /nfs/dbraw/zinc/36/05/87/263360587.db2.gz DDZLAWFBNKAKLY-RRFJBIMHSA-N 0 3 282.428 2.347 20 30 CEEDHN COCC1(C#N)CCN(CCN(C)c2ccccc2)CC1 ZINC000342005603 263375862 /nfs/dbraw/zinc/37/58/62/263375862.db2.gz ZXYYCJXQYHTHIL-UHFFFAOYSA-N 0 3 287.407 2.375 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC2(C1)CCOC2 ZINC000342020970 263379478 /nfs/dbraw/zinc/37/94/78/263379478.db2.gz CSKMKJIQXKLEBM-HNNXBMFYSA-N 0 3 284.359 2.008 20 30 CEEDHN C=CCCN(C)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000342184862 263394886 /nfs/dbraw/zinc/39/48/86/263394886.db2.gz GLMNCQIJMZWLCY-ZIAGYGMSSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000050137115 263919920 /nfs/dbraw/zinc/91/99/20/263919920.db2.gz OYWNQMONPMGTHA-ZDUSSCGKSA-N 0 3 293.436 2.445 20 30 CEEDHN C=CCn1cc(CN[C@@H](C)CCc2ccc(O)cc2)nn1 ZINC000425345492 264016649 /nfs/dbraw/zinc/01/66/49/264016649.db2.gz AAQROUJKVUMZPI-ZDUSSCGKSA-N 0 3 286.379 2.281 20 30 CEEDHN CN(C)CCNC(=O)Nc1ncc(C(C)(C)C)s1 ZINC000330775101 264034606 /nfs/dbraw/zinc/03/46/06/264034606.db2.gz YQJMDDUCTPVDOD-UHFFFAOYSA-N 0 3 270.402 2.328 20 30 CEEDHN C[C@H](CNC(=O)NC[C@H](O)C(C)(C)C)N1CCC[C@@H](C)C1 ZINC000330806451 264043421 /nfs/dbraw/zinc/04/34/21/264043421.db2.gz KBXHPQDBUMWNIE-MCIONIFRSA-N 0 3 299.459 2.017 20 30 CEEDHN CC[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCN(CCOC)C2)C1 ZINC000330843533 264065697 /nfs/dbraw/zinc/06/56/97/264065697.db2.gz BMADDPWIXZMFTR-QLFBSQMISA-N 0 3 297.443 2.180 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CCN1C ZINC000330916231 264092963 /nfs/dbraw/zinc/09/29/63/264092963.db2.gz UZLANUKDHZTOFN-SCZZXKLOSA-N 0 3 283.353 2.444 20 30 CEEDHN C[C@@H]1[C@@H](O)CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000331356027 264208554 /nfs/dbraw/zinc/20/85/54/264208554.db2.gz RKDGNGPSSCBINL-BMFZPTHFSA-N 0 3 286.375 2.131 20 30 CEEDHN C=C[C@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000126334372 264211158 /nfs/dbraw/zinc/21/11/58/264211158.db2.gz RASUCHIVQTUCRN-YCPHGPKFSA-N 0 3 287.407 2.381 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC000424924824 264379477 /nfs/dbraw/zinc/37/94/77/264379477.db2.gz MUVLYGDNCGIWGC-BBRMVZONSA-N 0 3 288.391 2.069 20 30 CEEDHN C=CCOCCN1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000292823861 264895067 /nfs/dbraw/zinc/89/50/67/264895067.db2.gz OEMGNJMUKAQOHB-ZIAGYGMSSA-N 0 3 265.353 2.370 20 30 CEEDHN CC#CCN(C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000294059350 265005848 /nfs/dbraw/zinc/00/58/48/265005848.db2.gz ATHVLTVQKDHZTD-MRXNPFEDSA-N 0 3 270.376 2.133 20 30 CEEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344428295 265058971 /nfs/dbraw/zinc/05/89/71/265058971.db2.gz GUJZLQLYLDGJFI-UHFFFAOYSA-N 0 3 262.313 2.052 20 30 CEEDHN C[C@H]1[C@H](C(F)(F)F)CCN1CCC(=O)N(C)CCC#N ZINC000348242415 265146982 /nfs/dbraw/zinc/14/69/82/265146982.db2.gz JZAKEZFEGNDRIL-WDEREUQCSA-N 0 3 291.317 2.021 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000335587173 265159863 /nfs/dbraw/zinc/15/98/63/265159863.db2.gz ZDQDJLLOHSNANA-PBHICJAKSA-N 0 3 289.423 2.402 20 30 CEEDHN C[C@@H](N(C)Cc1cnc2c(C#N)cnn2c1)C1(C)CC1 ZINC000518980916 265273744 /nfs/dbraw/zinc/27/37/44/265273744.db2.gz VVBDAGOUIBTCFP-LLVKDONJSA-N 0 3 269.352 2.221 20 30 CEEDHN COc1ccc2c(c1)OC[C@@H](N[C@@H]1CC[C@H](C#N)C1)C2 ZINC000333614105 265952284 /nfs/dbraw/zinc/95/22/84/265952284.db2.gz SKBXWJIYYJTIRC-YUTCNCBUSA-N 0 3 272.348 2.281 20 30 CEEDHN C=CCCCCN1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000514581413 266004587 /nfs/dbraw/zinc/00/45/87/266004587.db2.gz PZHSCCVYZZFFCK-CYBMUJFWSA-N 0 3 259.415 2.242 20 30 CEEDHN COC(=O)C[C@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000357601796 266333868 /nfs/dbraw/zinc/33/38/68/266333868.db2.gz RWTVRRNLICUPAS-SKDRFNHKSA-N 0 3 294.738 2.220 20 30 CEEDHN CCN(Cc1ccc(OC)c(OC)c1)C(=O)C(C)C#N ZINC000357809466 266369409 /nfs/dbraw/zinc/36/94/09/266369409.db2.gz WLCNINFJFHCZCN-NSHDSACASA-N 0 3 276.336 2.212 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000357836056 266374017 /nfs/dbraw/zinc/37/40/17/266374017.db2.gz ULWAVTBEHZJSQT-LLVKDONJSA-N 0 3 297.314 2.308 20 30 CEEDHN COc1ccc([C@H](OC)[C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000357982659 266393738 /nfs/dbraw/zinc/39/37/38/266393738.db2.gz RNBORFKHQPLXCS-JTNHKYCSSA-N 0 3 276.336 2.047 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)c1nc2ccccc2n1C)C1CC1 ZINC000358098246 266421293 /nfs/dbraw/zinc/42/12/93/266421293.db2.gz SAXJVOWCKGYNKB-PWSUYJOCSA-N 0 3 282.347 2.095 20 30 CEEDHN CC(C)[C@@H](C(=O)N1CCC(F)(C#N)CC1)N1CCCCC1 ZINC000359344075 266566983 /nfs/dbraw/zinc/56/69/83/266566983.db2.gz CARDVICSQPCSJZ-AWEZNQCLSA-N 0 3 295.402 2.351 20 30 CEEDHN CCCN(CCO)Cc1ccc(C#N)cc1OC(F)F ZINC000437396834 267012260 /nfs/dbraw/zinc/01/22/60/267012260.db2.gz NXZCMCWXMCMADV-UHFFFAOYSA-N 0 3 284.306 2.364 20 30 CEEDHN CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000452018410 267145990 /nfs/dbraw/zinc/14/59/90/267145990.db2.gz QTRNBPSBOWXKTR-HUUCEWRRSA-N 0 3 287.363 2.044 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)C3(C#N)CCCCC3)C[C@@H]21 ZINC000368597011 267190248 /nfs/dbraw/zinc/19/02/48/267190248.db2.gz WNNIPFITFIQBIP-KBPBESRZSA-N 0 3 275.396 2.013 20 30 CEEDHN CC[C@@H](N[C@@H]1CC(=O)N(CC)C1)c1ccc(C#N)cc1 ZINC000453355351 267196058 /nfs/dbraw/zinc/19/60/58/267196058.db2.gz LIBQWQJWJKEQRC-HUUCEWRRSA-N 0 3 271.364 2.220 20 30 CEEDHN CC[C@@H](NCc1cc(C#N)cs1)[C@@H](O)C(F)F ZINC000449420829 267196736 /nfs/dbraw/zinc/19/67/36/267196736.db2.gz GWSSEUHNNMKLJS-NXEZZACHSA-N 0 3 260.309 2.114 20 30 CEEDHN CC[C@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(C#N)cc1 ZINC000447540656 267223161 /nfs/dbraw/zinc/22/31/61/267223161.db2.gz KDACUOLDYRTDEN-GJZGRUSLSA-N 0 3 271.364 2.220 20 30 CEEDHN CC[C@H]1CN(CC)CCN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000450825944 267230455 /nfs/dbraw/zinc/23/04/55/267230455.db2.gz FZAKCGIJFQYNNU-ZDUSSCGKSA-N 0 3 288.351 2.387 20 30 CEEDHN CN(C)CCc1ccccc1NC(=O)c1ccc(C#N)cn1 ZINC000526121094 267280251 /nfs/dbraw/zinc/28/02/51/267280251.db2.gz XTBZVAMWZRTQTD-UHFFFAOYSA-N 0 3 294.358 2.310 20 30 CEEDHN CN(C)[C@H](CNc1cncc(C#N)n1)c1ccccc1 ZINC000420585889 267289367 /nfs/dbraw/zinc/28/93/67/267289367.db2.gz NOCBBKIGNMLWEY-CQSZACIVSA-N 0 3 267.336 2.063 20 30 CEEDHN CN(C[C@H]1CCCN1C)c1ncc(C#N)cc1Cl ZINC000420643370 267309566 /nfs/dbraw/zinc/30/95/66/267309566.db2.gz XGTNZZIRKASERQ-LLVKDONJSA-N 0 3 264.760 2.137 20 30 CEEDHN C=C[C@H](C)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000119311150 267320914 /nfs/dbraw/zinc/32/09/14/267320914.db2.gz MVVVQOXNMWOYEG-RYUDHWBXSA-N 0 3 282.409 2.162 20 30 CEEDHN C#CCOc1ccccc1CN1CC([C@H]2CCOC2)C1 ZINC000370474996 267321307 /nfs/dbraw/zinc/32/13/07/267321307.db2.gz ABZPUMMUKCKOPY-HNNXBMFYSA-N 0 3 271.360 2.167 20 30 CEEDHN C#CCCN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000370612384 267330997 /nfs/dbraw/zinc/33/09/97/267330997.db2.gz LYXCYXLJATUDDN-UHFFFAOYSA-N 0 3 260.356 2.357 20 30 CEEDHN COC(=O)[C@H]1CC[C@@H](NCc2ccc(C#N)c(C)c2)C1 ZINC000435041187 267387096 /nfs/dbraw/zinc/38/70/96/267387096.db2.gz HSMGVSCSOOHSFV-DZGCQCFKSA-N 0 3 272.348 2.298 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H]([C@H](C)O)C2)cc1 ZINC000305856758 268008635 /nfs/dbraw/zinc/00/86/35/268008635.db2.gz KWOKDZRTEOVKOR-DZGCQCFKSA-N 0 3 261.365 2.454 20 30 CEEDHN C=C(CNC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccccc1 ZINC000377064983 268044380 /nfs/dbraw/zinc/04/43/80/268044380.db2.gz FBJVYWICHCHRBE-KRWDZBQOSA-N 0 3 297.402 2.356 20 30 CEEDHN N#Cc1c(F)cccc1CN[C@@H]1CCC[C@@H]1CCO ZINC000428984696 268164555 /nfs/dbraw/zinc/16/45/55/268164555.db2.gz ILCKHXOYRVHUPJ-IAQYHMDHSA-N 0 3 262.328 2.338 20 30 CEEDHN N#Cc1ccc(CNC2(CO)CCSCC2)cc1F ZINC000459700327 268231833 /nfs/dbraw/zinc/23/18/33/268231833.db2.gz PDRGOFWGOYGPBY-UHFFFAOYSA-N 0 3 280.368 2.045 20 30 CEEDHN COc1ccc(CN2C[C@H](C)C[C@H](CO)C2)cc1C#N ZINC000398683131 270360831 /nfs/dbraw/zinc/36/08/31/270360831.db2.gz ZAIQOIQLIJBCDE-OCCSQVGLSA-N 0 3 274.364 2.017 20 30 CEEDHN CCN1C[C@H](C)N(CC#Cc2ccccc2)[C@@H](C)C1 ZINC000347693989 276249793 /nfs/dbraw/zinc/24/97/93/276249793.db2.gz SBEGBDLLXPQIDZ-HOTGVXAUSA-N 0 3 256.393 2.453 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(C#N)cc3)[C@H]2C1 ZINC000272160872 277141498 /nfs/dbraw/zinc/14/14/98/277141498.db2.gz ANILCUASTXAOGJ-HIFRSBDPSA-N 0 3 284.363 2.116 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)Nc3cccc(C#N)c3)[C@@H]2C1 ZINC000272270611 277174878 /nfs/dbraw/zinc/17/48/78/277174878.db2.gz CKUZXLBZTMSQNH-DZGCQCFKSA-N 0 3 284.363 2.116 20 30 CEEDHN COCCOCCN(C)[C@H](C)c1ccc(C#N)cc1 ZINC000267456301 277231289 /nfs/dbraw/zinc/23/12/89/277231289.db2.gz PBIJHDRLSMVVHN-CYBMUJFWSA-N 0 3 262.353 2.214 20 30 CEEDHN CC(C#N)C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000347449980 278132621 /nfs/dbraw/zinc/13/26/21/278132621.db2.gz NWFAEGXKEZCBGF-QLFBSQMISA-N 0 3 285.391 2.267 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(C#N)cc1 ZINC000330574512 278258262 /nfs/dbraw/zinc/25/82/62/278258262.db2.gz PMDBOBGQENKNNT-KGLIPLIRSA-N 0 3 285.391 2.408 20 30 CEEDHN C[C@@H](CO)N(CC(=O)NC1(C#N)CCC1)C1CCCC1 ZINC000329492832 278288635 /nfs/dbraw/zinc/28/86/35/278288635.db2.gz UBQLSLXSDTZEMA-LBPRGKRZSA-N 0 3 279.384 2.015 20 30 CEEDHN C[C@@H]1CC[C@@H](CN[C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360676080 278582386 /nfs/dbraw/zinc/58/23/86/278582386.db2.gz MVZMAZQBLWWODU-UXIGCNINSA-N 0 3 271.364 2.110 20 30 CEEDHN N#Cc1ccc([C@H](NCC2(C3CC3)CCC2)C(N)=O)cc1 ZINC000155029728 289162006 /nfs/dbraw/zinc/16/20/06/289162006.db2.gz AOEKDGPQHYTCLY-HNNXBMFYSA-N 0 3 283.375 2.255 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@H]([C@H](C)O)C1 ZINC000305751919 289273819 /nfs/dbraw/zinc/27/38/19/289273819.db2.gz ZZFNBAKXZJCTNW-JSGCOSHPSA-N 0 3 274.364 2.160 20 30 CEEDHN C[C@H](CC[S@@](C)=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000252743489 289502893 /nfs/dbraw/zinc/50/28/93/289502893.db2.gz PUGNJEWBMSKQMV-SEDUGSJDSA-N 0 3 264.394 2.366 20 30 CEEDHN C[C@@H](NCCOC[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000539495036 298248913 /nfs/dbraw/zinc/24/89/13/298248913.db2.gz BUQLTNFXKGSQPO-CJNGLKHVSA-N 0 3 274.364 2.404 20 30 CEEDHN C[C@H](C[S@](C)=O)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000273183414 298909675 /nfs/dbraw/zinc/90/96/75/298909675.db2.gz FJCWSTREBKULLC-JJQCHNSYSA-N 0 3 268.357 2.115 20 30 CEEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H](C)C#N)N(C)C ZINC000357860176 328877574 /nfs/dbraw/zinc/87/75/74/328877574.db2.gz HNPWEAFPQWLPLR-NFAWXSAZSA-N 0 3 273.380 2.262 20 30 CEEDHN N#Cc1ccc(CNCCCOCC2CCOCC2)o1 ZINC000174422142 312689768 /nfs/dbraw/zinc/68/97/68/312689768.db2.gz GNCXHRDZYYYQJW-UHFFFAOYSA-N 0 3 278.352 2.074 20 30 CEEDHN Cc1nn(C)c(C)c1C[C@H](C)NCc1ccc(C#N)o1 ZINC000174544031 312690718 /nfs/dbraw/zinc/69/07/18/312690718.db2.gz DRNZNFJQJMILPT-JTQLQIEISA-N 0 3 272.352 2.222 20 30 CEEDHN N#Cc1csc(CNC[C@@H](CO)c2ccccc2)c1 ZINC000175050465 312695156 /nfs/dbraw/zinc/69/51/56/312695156.db2.gz FOCULLJNLBWKHS-AWEZNQCLSA-N 0 3 272.373 2.485 20 30 CEEDHN C[C@H](CCS(C)(=O)=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000181908253 312801716 /nfs/dbraw/zinc/80/17/16/312801716.db2.gz PIKLLHCEYPQMJK-VXGBXAGGSA-N 0 3 280.393 2.032 20 30 CEEDHN Cc1csc(NC(=O)N(C)C[C@@H]2CCCN2C)c1C#N ZINC000573383152 314155260 /nfs/dbraw/zinc/15/52/60/314155260.db2.gz JDQZNCBEFBXCHA-NSHDSACASA-N 0 3 292.408 2.486 20 30 CEEDHN CC[C@@H]1C[C@@H](C)CN1Cc1cnc2c(C#N)cnn2c1 ZINC000576584467 314290746 /nfs/dbraw/zinc/29/07/46/314290746.db2.gz IZZZOWQIDQYLGU-BXUZGUMPSA-N 0 3 269.352 2.221 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@@H]2C)CC1 ZINC000337003620 327948827 /nfs/dbraw/zinc/94/88/27/327948827.db2.gz XGFGMPVTIXSOOD-JSGCOSHPSA-N 0 3 265.401 2.125 20 30 CEEDHN C=C(C)[C@H](CC(=O)NC[C@@H]1CCCCN1CC)OCC ZINC000339365195 328008301 /nfs/dbraw/zinc/00/83/01/328008301.db2.gz ZQTUQRQZTNPMBE-GJZGRUSLSA-N 0 3 282.428 2.348 20 30 CEEDHN N#CCCCC(=O)N1CCCN(CC2CCC2)CC1 ZINC000412315907 328108524 /nfs/dbraw/zinc/10/85/24/328108524.db2.gz LZNFZRSYXFOSNR-UHFFFAOYSA-N 0 3 263.385 2.015 20 30 CEEDHN Cn1ccnc1[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC000571445977 328121889 /nfs/dbraw/zinc/12/18/89/328121889.db2.gz FARCEJKNPYEWKJ-INIZCTEOSA-N 0 3 265.360 2.261 20 30 CEEDHN CCCN(CC#N)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000413199271 328142303 /nfs/dbraw/zinc/14/23/03/328142303.db2.gz IQBCUZWNWRBOSU-UPJWGTAASA-N 0 3 251.374 2.010 20 30 CEEDHN CC(C)(C#N)CC(=O)N1CCCN(CC2CCC2)CC1 ZINC000571647934 328193350 /nfs/dbraw/zinc/19/33/50/328193350.db2.gz TWDHARWIMZSSKA-UHFFFAOYSA-N 0 3 277.412 2.261 20 30 CEEDHN COC(=O)COC[C@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000295895031 328287718 /nfs/dbraw/zinc/28/77/18/328287718.db2.gz YULROXRDVBJJJB-ZFWWWQNUSA-N 0 3 290.363 2.199 20 30 CEEDHN CS[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1N(C)C ZINC000581258640 322382323 /nfs/dbraw/zinc/38/23/23/322382323.db2.gz GLUPDXVXAVPMIY-CHWSQXEVSA-N 0 3 281.450 2.097 20 30 CEEDHN CCc1ccc([C@H](CNc2ccnc(C#N)n2)N(C)C)cc1 ZINC000583213680 322532281 /nfs/dbraw/zinc/53/22/81/322532281.db2.gz CVQHRQOOPPYJGW-HNNXBMFYSA-N 0 3 295.390 2.047 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@@H]1[C@H](O)CC ZINC000304088115 328376297 /nfs/dbraw/zinc/37/62/97/328376297.db2.gz ABGDLUJAJKSAGK-HUUCEWRRSA-N 0 3 282.428 2.036 20 30 CEEDHN C=CCOc1cccc(CNCCN2CCCOCC2)c1 ZINC000289426981 328526668 /nfs/dbraw/zinc/52/66/68/328526668.db2.gz JXUAROAHQVIHFY-UHFFFAOYSA-N 0 3 290.407 2.063 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C2CCCC2)C1 ZINC000557667245 327019706 /nfs/dbraw/zinc/01/97/06/327019706.db2.gz LGYYPFXXXREEKD-UKRRQHHQSA-N 0 3 289.423 2.449 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cccs1)c1nnc[n-]1 ZINC000584167305 327054777 /nfs/dbraw/zinc/05/47/77/327054777.db2.gz TWBHKFNHVPKGEA-GVXVVHGQSA-N 0 3 290.392 2.136 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](c1cccs1)c1nnc[nH]1 ZINC000584167305 327054778 /nfs/dbraw/zinc/05/47/78/327054778.db2.gz TWBHKFNHVPKGEA-GVXVVHGQSA-N 0 3 290.392 2.136 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2ccnc(N3CCCC3)c2)C1 ZINC000558426452 327093717 /nfs/dbraw/zinc/09/37/17/327093717.db2.gz JVMNUURZNGEKLR-ZFWWWQNUSA-N 0 3 270.380 2.464 20 30 CEEDHN COCC(=O)Nc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000559782691 327260889 /nfs/dbraw/zinc/26/08/89/327260889.db2.gz YGOULRZMQBTKIM-TZMCWYRMSA-N 0 3 287.363 2.053 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc1 ZINC000562034665 327441353 /nfs/dbraw/zinc/44/13/53/327441353.db2.gz CCWVOAMPSUUYMX-ZNMIVQPWSA-N 0 3 269.348 2.000 20 30 CEEDHN C=CCCCCCNC(=O)N[C@@H]1CNCCC1(F)F ZINC000570059327 327566545 /nfs/dbraw/zinc/56/65/45/327566545.db2.gz MJCOCGJVTKZHAU-LLVKDONJSA-N 0 3 275.343 2.029 20 30 CEEDHN COC[C@](C)(O)CN[C@@H](CCC#N)c1ccc(OC)cc1 ZINC000570170383 327573841 /nfs/dbraw/zinc/57/38/41/327573841.db2.gz IYECHPNLYGWHTA-JKSUJKDBSA-N 0 3 292.379 2.027 20 30 CEEDHN C=CC[C@H](CC)NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000353158613 328854280 /nfs/dbraw/zinc/85/42/80/328854280.db2.gz WZUNAAQMPDMJLG-AWEZNQCLSA-N 0 3 296.436 2.381 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000375127379 329001247 /nfs/dbraw/zinc/00/12/47/329001247.db2.gz RPPHJAVMIWFLHG-IHRRRGAJSA-N 0 3 250.386 2.141 20 30 CEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000377511051 329017195 /nfs/dbraw/zinc/01/71/95/329017195.db2.gz IIDHWOXNZFPMNN-KBPBESRZSA-N 0 3 278.396 2.484 20 30 CEEDHN C=CCN(CC)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000377737236 329027538 /nfs/dbraw/zinc/02/75/38/329027538.db2.gz BKLHYIUFRSHNLP-AWEZNQCLSA-N 0 3 256.365 2.233 20 30 CEEDHN C#CC[C@H](C)NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000377901023 329034287 /nfs/dbraw/zinc/03/42/87/329034287.db2.gz AWVCLEIXQZWUEP-RDJZCZTQSA-N 0 3 299.418 2.314 20 30 CEEDHN C=CCN1CCC(NC(=O)CCc2ccccc2O)CC1 ZINC000171719634 329079346 /nfs/dbraw/zinc/07/93/46/329079346.db2.gz FPFKKRFAHAOHCJ-UHFFFAOYSA-N 0 3 288.391 2.091 20 30 CEEDHN CCN(C[C@H]1CCCN1CC)C(=O)[C@@](C)(C#N)CC ZINC000582625010 329119315 /nfs/dbraw/zinc/11/93/15/329119315.db2.gz CKSKPMFEUKHLAU-UKRRQHHQSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](C)[C@H]1C ZINC000172860535 329139392 /nfs/dbraw/zinc/13/93/92/329139392.db2.gz AAHOKCLCWPAUHJ-ZIAGYGMSSA-N 0 3 250.386 2.307 20 30 CEEDHN C=C(C)CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000181308323 329230640 /nfs/dbraw/zinc/23/06/40/329230640.db2.gz VDUUEXMHLJCPMS-UHFFFAOYSA-N 0 3 250.298 2.482 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000321058046 329246005 /nfs/dbraw/zinc/24/60/05/329246005.db2.gz XOXBBFRQXCJXRD-GFCCVEGCSA-N 0 3 250.298 2.012 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000582849184 329279939 /nfs/dbraw/zinc/27/99/39/329279939.db2.gz RGSWARNFQRAOSA-WMLDXEAASA-N 0 3 296.455 2.404 20 30 CEEDHN C[C@H]1CN(CCCC(C)(C)C#N)CCN1CC(C)(C)O ZINC000189955625 329390686 /nfs/dbraw/zinc/39/06/86/329390686.db2.gz YGGBZQACBFUQRI-AWEZNQCLSA-N 0 3 281.444 2.093 20 30 CEEDHN CN(C)CCN(Cc1ccc(F)cc1)c1ccnc(C#N)n1 ZINC000584421501 329465918 /nfs/dbraw/zinc/46/59/18/329465918.db2.gz SLYZHJFCOFNZHC-UHFFFAOYSA-N 0 3 299.353 2.056 20 30 CEEDHN C=CCC(C)(C)CN[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000419188306 329712917 /nfs/dbraw/zinc/71/29/17/329712917.db2.gz SJHMAVNAEZBYKB-AWEZNQCLSA-N 0 3 278.371 2.414 20 30 CEEDHN C=CCC(C)(C)CN[C@H](Cc1ccccc1)C(N)=O ZINC000419193156 329713244 /nfs/dbraw/zinc/71/32/44/329713244.db2.gz YYEMLJQYRLMEKR-CQSZACIVSA-N 0 3 260.381 2.275 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000572367064 330010811 /nfs/dbraw/zinc/01/08/11/330010811.db2.gz JDNRDVOFJJVHQU-HOCLYGCPSA-N 0 3 275.396 2.356 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc[nH]c2CCC)CC1 ZINC000421769061 330077301 /nfs/dbraw/zinc/07/73/01/330077301.db2.gz QHJXCQGEWNNMBS-UHFFFAOYSA-N 0 3 275.396 2.347 20 30 CEEDHN C#CCCOc1ccc(CN2CCC[C@@H](O)C2)cc1 ZINC000271030612 330077667 /nfs/dbraw/zinc/07/76/67/330077667.db2.gz YRVAEMITMMCZKM-OAHLLOKOSA-N 0 3 259.349 2.045 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272967967 330087762 /nfs/dbraw/zinc/08/77/62/330087762.db2.gz OCINIJBZXQQXHC-CYBMUJFWSA-N 0 3 265.401 2.244 20 30 CEEDHN CCCC[C@H](CC)CNC(=O)[C@H](N)CCCC#N ZINC000424081787 330223537 /nfs/dbraw/zinc/22/35/37/330223537.db2.gz VRIYANFXMALHGG-QWHCGFSZSA-N 0 3 253.390 2.340 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(Br)cc1 ZINC000424078437 330221262 /nfs/dbraw/zinc/22/12/62/330221262.db2.gz PUPJGBSZIHJKOD-NSHDSACASA-N 0 3 296.168 2.409 20 30 CEEDHN CCOc1ccc(CN(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424080667 330221717 /nfs/dbraw/zinc/22/17/17/330221717.db2.gz TUIUIIMFJYLBAW-HNNXBMFYSA-N 0 3 289.379 2.065 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000424092254 330225688 /nfs/dbraw/zinc/22/56/88/330225688.db2.gz GTVPTQGVLVBOKU-OAHLLOKOSA-N 0 3 271.364 2.222 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000424119226 330246025 /nfs/dbraw/zinc/24/60/25/330246025.db2.gz FKNKXWSGTHZBAT-RDBSUJKOSA-N 0 3 263.385 2.093 20 30 CEEDHN CCOc1cc(C)ccc1CNC(=O)[C@H](N)CCCC#N ZINC000424120636 330249466 /nfs/dbraw/zinc/24/94/66/330249466.db2.gz GOUKTTBUCGPALD-CQSZACIVSA-N 0 3 289.379 2.031 20 30 CEEDHN CC[C@](C)(NC(=O)[C@@H](N)CCCC#N)c1nc(C)cs1 ZINC000424139700 330277360 /nfs/dbraw/zinc/27/73/60/330277360.db2.gz FEZQADJJWRZBIU-FZMZJTMJSA-N 0 3 294.424 2.214 20 30 CEEDHN C=CC[C@H](CO)NCc1cc(OCC)c(OC)cc1F ZINC000527693963 330279500 /nfs/dbraw/zinc/27/95/00/330279500.db2.gz YMLMSNRQLNXIBD-GFCCVEGCSA-N 0 3 283.343 2.260 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCCc2ccccc21 ZINC000328048894 330290309 /nfs/dbraw/zinc/29/03/09/330290309.db2.gz YWHJHTRLPLCZTM-KRWDZBQOSA-N 0 3 284.403 2.178 20 30 CEEDHN 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ZINC000928445605 629681233 /nfs/dbraw/zinc/68/12/33/629681233.db2.gz ZLYSXQFKTBYGGO-RNCFNFMXSA-N 0 3 277.755 2.034 20 30 CEEDHN C=C(C)CN1CCN(CCCOC(C)(C)C)CC1 ZINC000880412852 629690231 /nfs/dbraw/zinc/69/02/31/629690231.db2.gz AAQSDYMOZGTING-UHFFFAOYSA-N 0 3 254.418 2.385 20 30 CEEDHN CN(C)CC#CCNc1ncnc2c3ccccc3oc21 ZINC000894876258 629711781 /nfs/dbraw/zinc/71/17/81/629711781.db2.gz PIIVAJOEOXXXAW-UHFFFAOYSA-N 0 3 280.331 2.353 20 30 CEEDHN CN(C)CC#CCNc1ncnc2cc(Cl)ccc21 ZINC000894876968 629712519 /nfs/dbraw/zinc/71/25/19/629712519.db2.gz YGDGTTPSCZJOMD-UHFFFAOYSA-N 0 3 274.755 2.260 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000895042649 629813367 /nfs/dbraw/zinc/81/33/67/629813367.db2.gz DEFWCJYVALWTQN-CYBMUJFWSA-N 0 3 267.417 2.324 20 30 CEEDHN CCC[C@H]([NH2+][C@H]1CCCN([O-])C1=O)[C@H]1CC1(C)C ZINC000895157256 629973567 /nfs/dbraw/zinc/97/35/67/629973567.db2.gz OBZHXIMNFCWBMW-WOPDTQHZSA-N 0 3 254.374 2.171 20 30 CEEDHN N#CC(C(=O)CCc1cncnc1)c1nc2ccccc2[nH]1 ZINC000796705973 629973626 /nfs/dbraw/zinc/97/36/26/629973626.db2.gz FIKOKVDBAPTTPT-LBPRGKRZSA-N 0 3 291.314 2.162 20 30 CEEDHN CC1=C(C)C[C@H]([C@H](C)[NH2+][C@H]2CCCN([O-])C2=O)CC1 ZINC000895157938 629974426 /nfs/dbraw/zinc/97/44/26/629974426.db2.gz UIPYOAVRVNTJOB-MJBXVCDLSA-N 0 3 266.385 2.481 20 30 CEEDHN C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895159312 629976750 /nfs/dbraw/zinc/97/67/50/629976750.db2.gz DWTDYLVPGSCSSS-IJLUTSLNSA-N 0 3 254.374 2.171 20 30 CEEDHN CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895162059 629980954 /nfs/dbraw/zinc/98/09/54/629980954.db2.gz WBEHVTFHNXLZSY-GJZGRUSLSA-N 0 3 276.380 2.368 20 30 CEEDHN C#CC1(O)CCN(Cc2ccccc2OCC=C)CC1 ZINC000895379648 630150678 /nfs/dbraw/zinc/15/06/78/630150678.db2.gz MJODFFJCFTUSJF-UHFFFAOYSA-N 0 3 271.360 2.212 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN1CC[C@H](CF)C1 ZINC000895567752 630258875 /nfs/dbraw/zinc/25/88/75/630258875.db2.gz JWJHZJIEXFQBAZ-CYBMUJFWSA-N 0 3 261.344 2.416 20 30 CEEDHN C#CCC1([NH2+]Cc2ccc([O-])c(F)c2)CCOCC1 ZINC000896070245 630456792 /nfs/dbraw/zinc/45/67/92/630456792.db2.gz RQXSXGRFCVAOCU-UHFFFAOYSA-N 0 3 263.312 2.193 20 30 CEEDHN C=CCN1CC[C@H](N[C@@H](C)c2ccc(C)s2)C1=O ZINC000799165802 630989494 /nfs/dbraw/zinc/98/94/94/630989494.db2.gz OUOIHNAWUKTRGU-RYUDHWBXSA-N 0 3 264.394 2.494 20 30 CEEDHN Cc1nccn1-c1ccc(CN[C@H]2CC[C@@H](C#N)C2)cn1 ZINC000799714927 631067969 /nfs/dbraw/zinc/06/79/69/631067969.db2.gz JAPDBLUPSYYNGA-HIFRSBDPSA-N 0 3 281.363 2.358 20 30 CEEDHN C[C@H](C#N)Oc1ccc(CN2CCC(CO)CC2)cc1 ZINC000305734217 631118312 /nfs/dbraw/zinc/11/83/12/631118312.db2.gz PXMMGZFCXPYHMJ-CYBMUJFWSA-N 0 3 274.364 2.182 20 30 CEEDHN C#CCC1(NCc2ccc(O)c(OC)c2[N+](=O)[O-])CCC1 ZINC000897350805 631160419 /nfs/dbraw/zinc/16/04/19/631160419.db2.gz LTFWTCWDMXGBDU-UHFFFAOYSA-N 0 3 290.319 2.345 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000321068184 631242537 /nfs/dbraw/zinc/24/25/37/631242537.db2.gz ZLXJZXFSPLLUQO-LBPRGKRZSA-N 0 3 250.298 2.012 20 30 CEEDHN C[C@H](C#N)OCCN1CCCC[C@@H]1c1cccn1C ZINC000801923997 631355982 /nfs/dbraw/zinc/35/59/82/631355982.db2.gz HUUYGQXFNLKTTK-UKRRQHHQSA-N 0 3 261.369 2.481 20 30 CEEDHN C[C@@H](C#N)OCCN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000801940040 631365764 /nfs/dbraw/zinc/36/57/64/631365764.db2.gz XPVSRVMYZXEDLA-SWLSCSKDSA-N 0 3 278.327 2.207 20 30 CEEDHN C[C@H](C#N)OCCN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000801951954 631369346 /nfs/dbraw/zinc/36/93/46/631369346.db2.gz MLJZGTWFGQSOMS-BBBLOLIVSA-N 0 3 250.264 2.188 20 30 CEEDHN C#CCSCCNCc1cc(C(=O)OC)c(CC)o1 ZINC000802645681 631439048 /nfs/dbraw/zinc/43/90/48/631439048.db2.gz XQHJUOBRVATIJG-UHFFFAOYSA-N 0 3 281.377 2.085 20 30 CEEDHN C#CC[C@H]1CCN(C(=O)NC2CCN(CC(=C)C)CC2)C1 ZINC000888182408 631501491 /nfs/dbraw/zinc/50/14/91/631501491.db2.gz CXHLIJUGPGCPIT-HNNXBMFYSA-N 0 3 289.423 2.082 20 30 CEEDHN C=CCCC(=O)COC(=O)CC[C@H]1CCCCN1C ZINC000803855682 631617413 /nfs/dbraw/zinc/61/74/13/631617413.db2.gz JCGQQBADZPSPDS-CYBMUJFWSA-N 0 3 267.369 2.329 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(C)c(F)cc2F)C1 ZINC000989025584 631716515 /nfs/dbraw/zinc/71/65/15/631716515.db2.gz BYWCVBPEHPWERZ-NWDGAFQWSA-N 0 3 292.329 2.099 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(OCC=C)cc2)C1 ZINC000989050950 631720914 /nfs/dbraw/zinc/72/09/14/631720914.db2.gz RGDFMWMYHATNQT-ZBFHGGJFSA-N 0 3 298.386 2.077 20 30 CEEDHN C=CCNC(=S)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000806592735 631757153 /nfs/dbraw/zinc/75/71/53/631757153.db2.gz CSAUBPHXPHMCDT-ZDUSSCGKSA-N 0 3 281.400 2.079 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc3ncccc32)C1 ZINC000989260890 631762372 /nfs/dbraw/zinc/76/23/72/631762372.db2.gz QCOPOGHGZQNGPS-KGLIPLIRSA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2cc3ccccc3o2)C1 ZINC000989276296 631765776 /nfs/dbraw/zinc/76/57/76/631765776.db2.gz XLDIGQIWYKQYBD-ZFWWWQNUSA-N 0 3 296.370 2.188 20 30 CEEDHN C#CCCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000806876809 631785844 /nfs/dbraw/zinc/78/58/44/631785844.db2.gz DDGPPXZTNLUQKM-HOCLYGCPSA-N 0 3 287.407 2.390 20 30 CEEDHN Cc1cc([N+](=O)[O-])ccc1N=NC1CN(C)C[C@H]1C ZINC000807988513 631898301 /nfs/dbraw/zinc/89/83/01/631898301.db2.gz FDKHIXZPAPAAKE-SNVBAGLBSA-N 0 3 262.313 2.253 20 30 CEEDHN C#C[C@H](CC)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000808296595 631946368 /nfs/dbraw/zinc/94/63/68/631946368.db2.gz RPPZOAFYXGZFHT-USXIJHARSA-N 0 3 299.418 2.360 20 30 CEEDHN N#C[C@H]1CCC[C@H](N[C@H]2c3ccccc3OC[C@H]2CO)C1 ZINC000897947463 631986315 /nfs/dbraw/zinc/98/63/15/631986315.db2.gz MEPJJSSLRVVXBU-QDEZUTFSSA-N 0 3 286.375 2.401 20 30 CEEDHN C[C@@H]1CCCN1CCNC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000898038358 632031722 /nfs/dbraw/zinc/03/17/22/632031722.db2.gz KRZKLYWMONEOGB-VXTDNTOSSA-N 0 3 289.423 2.307 20 30 CEEDHN CCN(C[C@H](O)CC#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000809572197 632102697 /nfs/dbraw/zinc/10/26/97/632102697.db2.gz IXDZNNQZMRXIOC-SWLSCSKDSA-N 0 3 257.337 2.216 20 30 CEEDHN C#Cc1ccc(CN[C@H](C(=O)N2CCCC2)C(C)C)cc1 ZINC000809621091 632112806 /nfs/dbraw/zinc/11/28/06/632112806.db2.gz USBVOGDOOXNCAH-KRWDZBQOSA-N 0 3 284.403 2.405 20 30 CEEDHN C#Cc1ccc(CN[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000809625384 632114690 /nfs/dbraw/zinc/11/46/90/632114690.db2.gz DIIKYCPFPRQKLQ-OAHLLOKOSA-N 0 3 270.376 2.157 20 30 CEEDHN C[C@@H](C#N)OCCN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000810047404 632173871 /nfs/dbraw/zinc/17/38/71/632173871.db2.gz CLKBEHNGHWIHLQ-YOEHRIQHSA-N 0 3 286.375 2.385 20 30 CEEDHN C[C@H](NCc1cc(C#N)ccc1F)C(C)(C)n1cncn1 ZINC000810227083 632196487 /nfs/dbraw/zinc/19/64/87/632196487.db2.gz QUFFLWCONORMJH-NSHDSACASA-N 0 3 287.342 2.202 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc3c2ccn3C)C1 ZINC000989561427 632205917 /nfs/dbraw/zinc/20/59/17/632205917.db2.gz CUHPKNPIUVLRLW-UONOGXRCSA-N 0 3 295.386 2.004 20 30 CEEDHN C=CCCN1CCCN(C(=O)[C@@H](OC)C2CCCC2)CC1 ZINC000989572087 632206809 /nfs/dbraw/zinc/20/68/09/632206809.db2.gz FMVDNPWCDOGYIB-INIZCTEOSA-N 0 3 294.439 2.302 20 30 CEEDHN N#CC(C(=O)NCc1ccccc1)C(=O)C1(CCF)CC1 ZINC000810530000 632223057 /nfs/dbraw/zinc/22/30/57/632223057.db2.gz SLEHMKVJYZXNPQ-ZDUSSCGKSA-N 0 3 288.322 2.151 20 30 CEEDHN C=C(C)CN1CCCN(C(=O)c2c[nH]c3ncccc23)CC1 ZINC000989695152 632224903 /nfs/dbraw/zinc/22/49/03/632224903.db2.gz ZYRRZNPSKBADLD-UHFFFAOYSA-N 0 3 298.390 2.287 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000989698810 632225891 /nfs/dbraw/zinc/22/58/91/632225891.db2.gz BGJLOMBVXJXHPE-FPCVCCKLSA-N 0 3 276.424 2.415 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC000989831121 632248749 /nfs/dbraw/zinc/24/87/49/632248749.db2.gz HOUBRXFVYRWOIQ-KGLIPLIRSA-N 0 3 295.386 2.302 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)C3CCCC3)CCC[C@@H]12 ZINC000989897341 632275550 /nfs/dbraw/zinc/27/55/50/632275550.db2.gz RNMGBVKYUMOCLY-GDBMZVCRSA-N 0 3 262.397 2.476 20 30 CEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cc(C)on3)CCC[C@@H]12 ZINC000989921938 632280347 /nfs/dbraw/zinc/28/03/47/632280347.db2.gz LKQHQHZZLFELKY-GDBMZVCRSA-N 0 3 289.379 2.286 20 30 CEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cc(C)no3)CCC[C@H]12 ZINC000989935619 632285467 /nfs/dbraw/zinc/28/54/67/632285467.db2.gz JOZNIJMBPCTZOF-HOCLYGCPSA-N 0 3 289.379 2.286 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccoc3)CCC[C@@H]12 ZINC000989954739 632289390 /nfs/dbraw/zinc/28/93/90/632289390.db2.gz RSYZUNMYEOLOFO-HIFRSBDPSA-N 0 3 260.337 2.192 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ncoc3CC)CCC[C@H]12 ZINC000990058854 632308280 /nfs/dbraw/zinc/30/82/80/632308280.db2.gz WKOLBGIGQCXPSY-XJKSGUPXSA-N 0 3 289.379 2.150 20 30 CEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3coc(C)n3)CCC[C@H]12 ZINC000990378533 632343031 /nfs/dbraw/zinc/34/30/31/632343031.db2.gz UYQZXWRCPKZEQI-GOEBONIOSA-N 0 3 289.379 2.286 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3[nH]ccc3C)CCC[C@H]12 ZINC000990494854 632370281 /nfs/dbraw/zinc/37/02/81/632370281.db2.gz JNIVJKIIMKSRBW-XJKSGUPXSA-N 0 3 273.380 2.236 20 30 CEEDHN C#C[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC000811530750 632396601 /nfs/dbraw/zinc/39/66/01/632396601.db2.gz QVNCPOQGFLDKCG-BLLLJJGKSA-N 0 3 282.403 2.363 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1COC[C@H]1C1CC1 ZINC000898388879 632478935 /nfs/dbraw/zinc/47/89/35/632478935.db2.gz WDAVRYJBZQNIBN-JKSUJKDBSA-N 0 3 271.360 2.213 20 30 CEEDHN C#CC[C@@H]1CCCN(CN2C(=O)C(C)(C)[C@@H]2C2CC2)C1 ZINC000842629195 632481849 /nfs/dbraw/zinc/48/18/49/632481849.db2.gz LDSRPWQHQAKQNN-HIFRSBDPSA-N 0 3 274.408 2.326 20 30 CEEDHN N#CCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000813059839 632611929 /nfs/dbraw/zinc/61/19/29/632611929.db2.gz JKXCNPUGPDEFRE-LBPRGKRZSA-N 0 3 255.277 2.028 20 30 CEEDHN COC[C@H](C)[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000813059576 632612527 /nfs/dbraw/zinc/61/25/27/632612527.db2.gz CFFHZBUYDUEIKG-OBJOEFQTSA-N 0 3 288.347 2.253 20 30 CEEDHN C=CCOCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813214538 632650017 /nfs/dbraw/zinc/65/00/17/632650017.db2.gz ZHKKQZWJIZYMAA-JTQLQIEISA-N 0 3 284.237 2.479 20 30 CEEDHN C=C1CCC(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)CC1 ZINC000899198304 632734074 /nfs/dbraw/zinc/73/40/74/632734074.db2.gz AXSORSJYROKIKT-CABCVRRESA-N 0 3 262.397 2.428 20 30 CEEDHN COC(=O)c1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1C ZINC000899379957 632821721 /nfs/dbraw/zinc/82/17/21/632821721.db2.gz DMGNFODBMZJIMQ-BNDQCTAISA-N 0 3 297.314 2.214 20 30 CEEDHN CCc1ccc(C#CC(=O)NCCN2CCC(C)CC2)cc1 ZINC000814503471 632850497 /nfs/dbraw/zinc/85/04/97/632850497.db2.gz FJJGBYUIJCSFFW-UHFFFAOYSA-N 0 3 298.430 2.449 20 30 CEEDHN C(=Nn1cnnc1-c1ccccc1)[C@H]1CCCOC1 ZINC000814778854 632894119 /nfs/dbraw/zinc/89/41/19/632894119.db2.gz AWGKAAAKCJUWCY-GFCCVEGCSA-N 0 3 256.309 2.206 20 30 CEEDHN N#CC1(C[C@@H](O)CN2CC(Cc3ccoc3)C2)CCC1 ZINC000899913615 633101177 /nfs/dbraw/zinc/10/11/77/633101177.db2.gz DHUGSDQVBBKFOC-OAHLLOKOSA-N 0 3 274.364 2.199 20 30 CEEDHN C[C@@H](CC#N)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900433658 633721399 /nfs/dbraw/zinc/72/13/99/633721399.db2.gz PKGXVFIAXPRSSR-NSHDSACASA-N 0 3 270.336 2.323 20 30 CEEDHN C=CC[C@@H](NC(=O)[C@H](CC)N(C)C)c1ccncc1 ZINC000840350857 633750956 /nfs/dbraw/zinc/75/09/56/633750956.db2.gz LUFHGHVRUNRKGX-KGLIPLIRSA-N 0 3 261.369 2.155 20 30 CEEDHN CCC(=NN[C@@H]1CCCC[C@H]1O)c1cccc(N)c1 ZINC000901335238 634051593 /nfs/dbraw/zinc/05/15/93/634051593.db2.gz XUBOQBNTEVIZKP-HUUCEWRRSA-N 0 3 261.369 2.276 20 30 CEEDHN CC(=NN[C@@H]1CCCC[C@H]1O)c1ccc(N)cc1C ZINC000901338197 634053377 /nfs/dbraw/zinc/05/33/77/634053377.db2.gz DQEGOGAWZFOYKS-HUUCEWRRSA-N 0 3 261.369 2.194 20 30 CEEDHN CCc1ccnc(CNC[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000819286431 634129152 /nfs/dbraw/zinc/12/91/52/634129152.db2.gz OEKTYOPVCANTBX-QGZVFWFLSA-N 0 3 281.359 2.339 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)NC[C@@H](O)C(F)(F)F ZINC000819305473 634133317 /nfs/dbraw/zinc/13/33/17/634133317.db2.gz PXDDQESMMYZUBP-QWHCGFSZSA-N 0 3 271.282 2.134 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1CCC[C@H]1C1CC1 ZINC000840379190 634136528 /nfs/dbraw/zinc/13/65/28/634136528.db2.gz JBVRQEVQAQUYPP-HOTGVXAUSA-N 0 3 291.439 2.067 20 30 CEEDHN C#Cc1cccc(CNC[C@@](C)(O)C(F)(F)F)c1 ZINC000819357607 634153418 /nfs/dbraw/zinc/15/34/18/634153418.db2.gz SYZOESGXSOSOGN-GFCCVEGCSA-N 0 3 257.255 2.071 20 30 CEEDHN COc1cccc([C@@H](O)CN[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902799160 634839659 /nfs/dbraw/zinc/83/96/59/634839659.db2.gz AIHCEANAEMPVAQ-SJCJKPOMSA-N 0 3 297.358 2.346 20 30 CEEDHN COc1ccc(C2(NCCO[C@H](C)C#N)CC2)cc1 ZINC000801937729 634868327 /nfs/dbraw/zinc/86/83/27/634868327.db2.gz VATAHAOXCKRGDX-GFCCVEGCSA-N 0 3 260.337 2.203 20 30 CEEDHN CCC(CC)(CO)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902886589 634879851 /nfs/dbraw/zinc/87/98/51/634879851.db2.gz QFXZRYVOUGRFEF-LBPRGKRZSA-N 0 3 261.369 2.403 20 30 CEEDHN CC[C@@H](N[C@@H](C)C(=O)NCCF)c1cccc(C#N)c1 ZINC000902981102 634918358 /nfs/dbraw/zinc/91/83/58/634918358.db2.gz HRVUENKJADRTLZ-SMDDNHRTSA-N 0 3 277.343 2.073 20 30 CEEDHN CC[C@H](C)C[C@@H](CO)N[C@H](C)c1cc(C#N)ccn1 ZINC000903037460 634941667 /nfs/dbraw/zinc/94/16/67/634941667.db2.gz KSXVVCXVMAVGPQ-SCRDCRAPSA-N 0 3 261.369 2.401 20 30 CEEDHN C[C@H](NCCCC1(O)CCC1)c1cc(C#N)ccn1 ZINC000903024184 634945660 /nfs/dbraw/zinc/94/56/60/634945660.db2.gz WOFOYHDXKZXHCT-LBPRGKRZSA-N 0 3 259.353 2.299 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903154759 634991307 /nfs/dbraw/zinc/99/13/07/634991307.db2.gz WILTZJHVKBIFOQ-ZYHUDNBSSA-N 0 3 280.324 2.191 20 30 CEEDHN CC[C@H](N[C@@H]1COCC[C@H]1OC)c1cccc(C#N)c1 ZINC000903296619 635045544 /nfs/dbraw/zinc/04/55/44/635045544.db2.gz KLYGVTZNWCJJNF-ARFHVFGLSA-N 0 3 274.364 2.403 20 30 CEEDHN C=CCN1CCC(NC(=O)N(O)Cc2ccccc2)CC1 ZINC000904169211 635489711 /nfs/dbraw/zinc/48/97/11/635489711.db2.gz XLHLDLYCWUWBED-UHFFFAOYSA-N 0 3 289.379 2.238 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000824860969 635513620 /nfs/dbraw/zinc/51/36/20/635513620.db2.gz BIKKDSGZFLBQEC-HIFRSBDPSA-N 0 3 263.337 2.224 20 30 CEEDHN C#Cc1ccc(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000825123846 635573271 /nfs/dbraw/zinc/57/32/71/635573271.db2.gz DFRAPTXDAMVFLM-UONOGXRCSA-N 0 3 283.293 2.413 20 30 CEEDHN C=CCC1(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCCC1 ZINC000825517556 635651979 /nfs/dbraw/zinc/65/19/79/635651979.db2.gz XCBCKRWPQPWEPQ-LSDHHAIUSA-N 0 3 292.423 2.102 20 30 CEEDHN C#C[C@@H](NC(=O)NCCN1CCCCC1)c1ccccc1 ZINC000825627281 635679881 /nfs/dbraw/zinc/67/98/81/635679881.db2.gz ITNCBANQIPYXBQ-MRXNPFEDSA-N 0 3 285.391 2.146 20 30 CEEDHN C#C[C@@H](C)N(C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000825710653 635700486 /nfs/dbraw/zinc/70/04/86/635700486.db2.gz WQCLSUZGNSFWLJ-CJNGLKHVSA-N 0 3 259.349 2.308 20 30 CEEDHN COCCOc1ccccc1/C=C1\C(=O)c2ncnn2C1C ZINC000905081207 635797798 /nfs/dbraw/zinc/79/77/98/635797798.db2.gz PVYGKKKHIHWKAO-KWJWQAOWSA-N 0 3 299.330 2.144 20 30 CEEDHN CC1/C(=C\c2cccc3c2CCOC3)C(=O)c2ncnn21 ZINC000905083044 635798305 /nfs/dbraw/zinc/79/83/05/635798305.db2.gz AVYSOUAJMCNLCG-FBWGLTFQSA-N 0 3 281.315 2.192 20 30 CEEDHN CC1/C(=C\c2cn(C)nc2C(C)(C)C)C(=O)c2ncnn21 ZINC000905085067 635799350 /nfs/dbraw/zinc/79/93/50/635799350.db2.gz LYNNJEVKLDYUEO-CAXXOGMASA-N 0 3 285.351 2.150 20 30 CEEDHN COc1cc(C)ccc1/C=C1\C(=O)c2ncnn2C1C ZINC000905086714 635800203 /nfs/dbraw/zinc/80/02/03/635800203.db2.gz TZDVTQNQEVWPCC-VPMLRQHESA-N 0 3 269.304 2.436 20 30 CEEDHN N#CC1(CNC[C@H](O)CCC2(O)CCC2)CCCCC1 ZINC000905382675 636241128 /nfs/dbraw/zinc/24/11/28/636241128.db2.gz CVMSWVWFMTWNGO-CQSZACIVSA-N 0 3 280.412 2.106 20 30 CEEDHN C=CC(C)(C)CCCNC(=O)N(C)CCN(C)C ZINC000876320652 650244278 /nfs/dbraw/zinc/24/42/78/650244278.db2.gz QPJADTDIGCKOKO-UHFFFAOYSA-N 0 3 255.406 2.182 20 30 CEEDHN C#Cc1cnc(NC[C@H](c2cccs2)N(C)C)nc1 ZINC000827294764 636284123 /nfs/dbraw/zinc/28/41/23/636284123.db2.gz PSLCHAOJMOLDSB-GFCCVEGCSA-N 0 3 272.377 2.234 20 30 CEEDHN N#CC1(C[C@H](O)CNCc2nccc3c2CCCC3)CC1 ZINC000905517754 636316672 /nfs/dbraw/zinc/31/66/72/636316672.db2.gz UXUNHJXDALXRNN-AWEZNQCLSA-N 0 3 285.391 2.105 20 30 CEEDHN C[C@@H]1CC(NC(=O)[C@@H]2CCCCN2C2CCCC2)=NO1 ZINC000827497635 636335718 /nfs/dbraw/zinc/33/57/18/636335718.db2.gz YCIARDNGCXUWKR-YPMHNXCESA-N 0 3 279.384 2.022 20 30 CEEDHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNCCC#N)C1 ZINC000905623035 636349224 /nfs/dbraw/zinc/34/92/24/636349224.db2.gz HFHWNCUMVRGXCY-NWDGAFQWSA-N 0 3 267.373 2.183 20 30 CEEDHN C#C[C@@H](NCc1ccnn1-c1ccccc1)C1CCOCC1 ZINC000827560837 636354660 /nfs/dbraw/zinc/35/46/60/636354660.db2.gz VEDZYMHRHOTXJC-GOSISDBHSA-N 0 3 295.386 2.390 20 30 CEEDHN C#C[C@H](NCc1ccc(C#N)s1)C1CCOCC1 ZINC000827565805 636356240 /nfs/dbraw/zinc/35/62/40/636356240.db2.gz OSPBFQZTWCWBKI-AWEZNQCLSA-N 0 3 260.362 2.138 20 30 CEEDHN C=CCN(C[C@H]1CC2(CCC2)CO1)[C@@H](C)COC ZINC000878889788 651204517 /nfs/dbraw/zinc/20/45/17/651204517.db2.gz IIIDLRMJOFLOCK-UONOGXRCSA-N 0 3 253.386 2.469 20 30 CEEDHN C=CCN(C[C@@H]1CCC2(CCOCC2)O1)[C@H](C)COC ZINC000878889852 651204674 /nfs/dbraw/zinc/20/46/74/651204674.db2.gz KVRBMHRGXHIZAG-CABCVRRESA-N 0 3 283.412 2.238 20 30 CEEDHN CC(C)(C(=O)NCCCCC#N)N1CCCCC1 ZINC000906570021 636793897 /nfs/dbraw/zinc/79/38/97/636793897.db2.gz QJMCYPBRJCMOPX-UHFFFAOYSA-N 0 3 251.374 2.061 20 30 CEEDHN CCCN(CCN(C)C)C(=O)c1ccsc1C#N ZINC000906581246 636796871 /nfs/dbraw/zinc/79/68/71/636796871.db2.gz UXOPQHMCAWCDCX-UHFFFAOYSA-N 0 3 265.382 2.034 20 30 CEEDHN C[C@H]1CCN(CCNC(=O)[C@@]2(C#N)CC3CCC2CC3)C1 ZINC000906873035 636873713 /nfs/dbraw/zinc/87/37/13/636873713.db2.gz ZWIBSIIPXVCBIQ-PBMMVSLJSA-N 0 3 289.423 2.164 20 30 CEEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)NC(C)(C)CC)C1 ZINC000829774266 636926781 /nfs/dbraw/zinc/92/67/81/636926781.db2.gz OGIPRTJUGKGDMM-ZIAGYGMSSA-N 0 3 264.413 2.415 20 30 CEEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)NCCCCC)C1 ZINC000829773697 636926870 /nfs/dbraw/zinc/92/68/70/636926870.db2.gz IHYXJDONGNYGQO-HUUCEWRRSA-N 0 3 264.413 2.417 20 30 CEEDHN C#CC[C@H]1CCCN(CC(=O)NC2CCC(C)CC2)C1 ZINC000829775143 636927911 /nfs/dbraw/zinc/92/79/11/636927911.db2.gz YIAKKVNQYSEEPY-PCKAHOCUSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)NCc2cccc(C)c2)C1 ZINC000829783723 636929371 /nfs/dbraw/zinc/92/93/71/636929371.db2.gz BDRGWUHBFJHYRD-MRXNPFEDSA-N 0 3 284.403 2.347 20 30 CEEDHN C#CC1CCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000830304943 637031503 /nfs/dbraw/zinc/03/15/03/637031503.db2.gz CQXLMGGKEPPDNA-KBPBESRZSA-N 0 3 262.397 2.121 20 30 CEEDHN C#CC1CCN(Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000830321705 637035561 /nfs/dbraw/zinc/03/55/61/637035561.db2.gz YCPOOLFQBUYLBB-UHFFFAOYSA-N 0 3 268.364 2.122 20 30 CEEDHN C#CC1CCN(CCOC(=O)Cc2ccccc2)CC1 ZINC000830345620 637043038 /nfs/dbraw/zinc/04/30/38/637043038.db2.gz KPRWHJQWKCRFML-UHFFFAOYSA-N 0 3 271.360 2.118 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000907774195 637123007 /nfs/dbraw/zinc/12/30/07/637123007.db2.gz KUJDMYCGGGLJGE-LBPRGKRZSA-N 0 3 269.348 2.385 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1OC ZINC000876544891 650315296 /nfs/dbraw/zinc/31/52/96/650315296.db2.gz ABAFIXBGUKDNQS-VIFPVBQESA-N 0 3 254.717 2.104 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000876545655 650316379 /nfs/dbraw/zinc/31/63/79/650316379.db2.gz RSXLTJCBODBEKR-JTQLQIEISA-N 0 3 283.715 2.312 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1OCC ZINC000876548371 650316952 /nfs/dbraw/zinc/31/69/52/650316952.db2.gz FBEQYHYKZGBTTF-JTQLQIEISA-N 0 3 268.744 2.494 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)[C@H]3OCC[C@H]3CC)CCC[C@H]12 ZINC000991100917 637254171 /nfs/dbraw/zinc/25/41/71/637254171.db2.gz RHCALWPDFKOTQQ-AESZEHBQSA-N 0 3 292.423 2.101 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000876550132 650320507 /nfs/dbraw/zinc/32/05/07/650320507.db2.gz PXGVDPZBYOOTHT-KXGXSXBTSA-N 0 3 258.793 2.397 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCOc1ccc(C)cc1C ZINC000876563871 650331896 /nfs/dbraw/zinc/33/18/96/650331896.db2.gz FLOLLQNHLCLTLS-ZDUSSCGKSA-N 0 3 296.798 2.268 20 30 CEEDHN C=CCCC(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908573121 637415318 /nfs/dbraw/zinc/41/53/18/637415318.db2.gz GUGBZRWYCJKVQT-UHFFFAOYSA-N 0 3 250.386 2.430 20 30 CEEDHN C=CCCC(=O)[C@H]1CCCN1C(=O)CC1CCN(C)CC1 ZINC000908653981 637445299 /nfs/dbraw/zinc/44/52/99/637445299.db2.gz HBEOVTSZWZBJKV-OAHLLOKOSA-N 0 3 292.423 2.245 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000876576476 650341359 /nfs/dbraw/zinc/34/13/59/650341359.db2.gz LWCCHJQJOPVXFO-NSHDSACASA-N 0 3 296.754 2.190 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908992362 637566212 /nfs/dbraw/zinc/56/62/12/637566212.db2.gz LSQCVSGCUVSKLY-CABCVRRESA-N 0 3 299.374 2.364 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)Oc1ccc(C)cc1 ZINC000876591972 650348944 /nfs/dbraw/zinc/34/89/44/650348944.db2.gz DKEAPLICEAPKGH-JSGCOSHPSA-N 0 3 296.798 2.348 20 30 CEEDHN C=C(Br)CN[C@@H](C)C1(OC)CCOCC1 ZINC000834566394 637871000 /nfs/dbraw/zinc/87/10/00/637871000.db2.gz MJGRVMXAJMFGDF-JTQLQIEISA-N 0 3 278.190 2.069 20 30 CEEDHN Cc1cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cs1 ZINC000834965482 638000877 /nfs/dbraw/zinc/00/08/77/638000877.db2.gz BIYZCDAGPVMQFM-TXEJJXNPSA-N 0 3 262.382 2.250 20 30 CEEDHN CC(C)OCCNN=C1CCCc2cc(N)ccc21 ZINC000834969840 638003441 /nfs/dbraw/zinc/00/34/41/638003441.db2.gz INSNAVRZKUHYHL-UHFFFAOYSA-N 0 3 261.369 2.324 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)Cc1cccc(OC)c1 ZINC000876660827 650384267 /nfs/dbraw/zinc/38/42/67/650384267.db2.gz IAUOQEAPCSPUIB-FZMZJTMJSA-N 0 3 296.798 2.212 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CSc2ccccc21 ZINC000876659249 650384320 /nfs/dbraw/zinc/38/43/20/650384320.db2.gz RRZJIHSLBDQUQX-QWRGUYRKSA-N 0 3 282.796 2.420 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1c(C)cccc1C ZINC000876665021 650386988 /nfs/dbraw/zinc/38/69/88/650386988.db2.gz LUPVIOGJYQBMEJ-CQSZACIVSA-N 0 3 280.799 2.432 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1COc2ccc(C)cc21 ZINC000876689407 650401012 /nfs/dbraw/zinc/40/10/12/650401012.db2.gz YISYFIPLPTTXAF-RYUDHWBXSA-N 0 3 280.755 2.015 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCS[C@H](C(C)C)C1 ZINC000876698492 650404799 /nfs/dbraw/zinc/40/47/99/650404799.db2.gz JVRGVYNFKYLRIU-QWRGUYRKSA-N 0 3 276.833 2.056 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@H]1SCC ZINC000876700891 650405693 /nfs/dbraw/zinc/40/56/93/650405693.db2.gz ZOVKAOPEBPESEM-HBNTYKKESA-N 0 3 276.833 2.247 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN1CCN(C2CCC2)CC1 ZINC000876734976 650413860 /nfs/dbraw/zinc/41/38/60/650413860.db2.gz XPHOEEXQFDTYSG-UHFFFAOYSA-N 0 3 298.434 2.294 20 30 CEEDHN C=CC[C@@H](NC(=O)[C@H](N)CC(=C)Cl)c1ccncc1 ZINC000876765407 650425412 /nfs/dbraw/zinc/42/54/12/650425412.db2.gz VBGDBOGCCFMNCR-CHWSQXEVSA-N 0 3 279.771 2.285 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCCOc1ccccc1F ZINC000912002846 638513558 /nfs/dbraw/zinc/51/35/58/638513558.db2.gz USQTXKNGCMYTBU-CYBMUJFWSA-N 0 3 280.343 2.004 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000912050204 638535515 /nfs/dbraw/zinc/53/55/15/638535515.db2.gz QRQZUXNFDLHJFW-AAEUAGOBSA-N 0 3 276.384 2.476 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000912068194 638547315 /nfs/dbraw/zinc/54/73/15/638547315.db2.gz LQLJMJPBZKJKEZ-HOTGVXAUSA-N 0 3 272.392 2.344 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)CCCCC ZINC000836201998 638572962 /nfs/dbraw/zinc/57/29/62/638572962.db2.gz KSTZWXNBUAPWGZ-AWEZNQCLSA-N 0 3 267.417 2.210 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCCC[C@H]1CC ZINC000836242154 638583969 /nfs/dbraw/zinc/58/39/69/638583969.db2.gz JJAJAXSYDLPVLX-HUUCEWRRSA-N 0 3 279.428 2.210 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912184212 638599394 /nfs/dbraw/zinc/59/93/94/638599394.db2.gz UWOOJAAZLVPDMY-ZDUSSCGKSA-N 0 3 289.335 2.168 20 30 CEEDHN COC(C)(C)CN(C)Cc1cc(C#N)ccc1N(C)C ZINC000876808525 650441610 /nfs/dbraw/zinc/44/16/10/650441610.db2.gz KKZQUBUSCXDFOE-UHFFFAOYSA-N 0 3 275.396 2.481 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1ccsc1 ZINC000836447294 638637173 /nfs/dbraw/zinc/63/71/73/638637173.db2.gz UMIUHLGGODCZKX-LBPRGKRZSA-N 0 3 279.409 2.063 20 30 CEEDHN CCN(C(=O)c1cc(C)c(C#N)c(C)c1)[C@H]1CCN(C)C1 ZINC000912305825 638642948 /nfs/dbraw/zinc/64/29/48/638642948.db2.gz AJBUYFMPNOOMGY-HNNXBMFYSA-N 0 3 285.391 2.341 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000912407878 638682520 /nfs/dbraw/zinc/68/25/20/638682520.db2.gz 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/nfs/dbraw/zinc/31/53/21/639315321.db2.gz JQIZZZWOJOVEAW-YPMHNXCESA-N 0 3 299.378 2.114 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000876930536 650490543 /nfs/dbraw/zinc/49/05/43/650490543.db2.gz ABKLAPUWXVBAPJ-SRVKXCTJSA-N 0 3 256.777 2.009 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CC12CCSCC2 ZINC000876926661 650488527 /nfs/dbraw/zinc/48/85/27/650488527.db2.gz BYHOUZIHTDGMNB-QWRGUYRKSA-N 0 3 288.844 2.106 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@](C)(CC)c1nccs1 ZINC000876771311 639368895 /nfs/dbraw/zinc/36/88/95/639368895.db2.gz PVNNACSLJZZBIU-JOYOIKCWSA-N 0 3 287.816 2.354 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1Cc2cc(F)c(F)cc2C1 ZINC000876953630 650504375 /nfs/dbraw/zinc/50/43/75/650504375.db2.gz WCMHPBOUDUIZPT-LBPRGKRZSA-N 0 3 286.709 2.277 20 30 CEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C1CC1 ZINC000169714956 639630578 /nfs/dbraw/zinc/63/05/78/639630578.db2.gz GWQBPNMINIQDPJ-NSHDSACASA-N 0 3 262.696 2.397 20 30 CEEDHN N#CC(C(=O)C[C@H]1CCCc2ccccc21)C(=O)NC1CC1 ZINC000171776901 639730046 /nfs/dbraw/zinc/73/00/46/639730046.db2.gz WHCROILWGZJZAS-CJNGLKHVSA-N 0 3 296.370 2.484 20 30 CEEDHN C[C@@H](CO)NN=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000841629693 639802152 /nfs/dbraw/zinc/80/21/52/639802152.db2.gz SGFNGCIGUMZXJY-SUMWQHHRSA-N 0 3 287.407 2.312 20 30 CEEDHN CCN(CC)c1ccc(C=NN(C)C[C@@H](C)O)cc1 ZINC000841654698 639823738 /nfs/dbraw/zinc/82/37/38/639823738.db2.gz USXXKKXUTHUYHI-CYBMUJFWSA-N 0 3 263.385 2.179 20 30 CEEDHN CCCCCCC[C@@H](C)CNC(=O)NC[C@@H]1CNCCO1 ZINC000841723032 639850616 /nfs/dbraw/zinc/85/06/16/639850616.db2.gz HHUDBPJSYVLTLS-CABCVRRESA-N 0 3 299.459 2.271 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCO[C@H]3CC)CCC[C@H]12 ZINC000991951555 639905419 /nfs/dbraw/zinc/90/54/19/639905419.db2.gz CMRWSOFCGFRDHQ-WBTNSWJXSA-N 0 3 292.423 2.101 20 30 CEEDHN C#C[C@H](NCc1sc(C)nc1C)C1CCOCC1 ZINC000827569734 639983837 /nfs/dbraw/zinc/98/38/37/639983837.db2.gz FAIWNKMYKSGSQA-ZDUSSCGKSA-N 0 3 264.394 2.278 20 30 CEEDHN N#CC(C(=O)Cc1cccc(C2CC2)c1)C(=O)NC1CC1 ZINC000842288529 639998573 /nfs/dbraw/zinc/99/85/73/639998573.db2.gz HCUXSXPDVAYAFN-HNNXBMFYSA-N 0 3 282.343 2.094 20 30 CEEDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C[C@H](O)CC#N ZINC000929676404 640016489 /nfs/dbraw/zinc/01/64/89/640016489.db2.gz PALYOZDEOWVNRD-OSAQELSMSA-N 0 3 262.328 2.278 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3C3CC3)CCC[C@H]12 ZINC000992346374 640029688 /nfs/dbraw/zinc/02/96/88/640029688.db2.gz TXXBPGIWWCGYNK-UIBIWLFHSA-N 0 3 286.419 2.169 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)c3cccnc3)CCC[C@@H]12 ZINC000992410777 640046032 /nfs/dbraw/zinc/04/60/32/640046032.db2.gz OWAJHVDRWLQLCB-YXJHDRRASA-N 0 3 299.418 2.484 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3ccccc3C)CCC[C@H]12 ZINC000992467026 640098017 /nfs/dbraw/zinc/09/80/17/640098017.db2.gz UDEDAZCVLCIENQ-HKUYNNGSSA-N 0 3 296.414 2.284 20 30 CEEDHN CC(=NNC12CC(C1)C2)c1ccc(N2CCOCC2)cc1 ZINC000842547818 640100600 /nfs/dbraw/zinc/10/06/00/640100600.db2.gz YCMURQIIOUYDPQ-UHFFFAOYSA-N 0 3 285.391 2.389 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)C3CCC=CCC3)CCC[C@H]12 ZINC000992492920 640138131 /nfs/dbraw/zinc/13/81/31/640138131.db2.gz IEUZQCBPBPFSKE-WMZOPIPTSA-N 0 3 286.419 2.479 20 30 CEEDHN N#CC(C(=O)[C@@H]1CCC(=O)C1)c1nc2ccccc2[nH]1 ZINC000842676679 640146704 /nfs/dbraw/zinc/14/67/04/640146704.db2.gz GXROIQOBPDONPQ-KOLCDFICSA-N 0 3 267.288 2.108 20 30 CEEDHN CNC(=O)C(C#N)C(=O)CCCc1ccc(SC)cc1 ZINC000842688903 640150196 /nfs/dbraw/zinc/15/01/96/640150196.db2.gz WWCMWDJMQJNNPR-CYBMUJFWSA-N 0 3 290.388 2.186 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)CCC[C@H]12 ZINC000992551517 640173090 /nfs/dbraw/zinc/17/30/90/640173090.db2.gz SJXXIZKZYJOEAL-LIBMWGANSA-N 0 3 298.430 2.025 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C2CCCC2)[C@H]1C ZINC000992939680 640376347 /nfs/dbraw/zinc/37/63/47/640376347.db2.gz DYJMADXJGWHLBA-UKRRQHHQSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(F)cc2)[C@@H]1C ZINC000992975603 640388589 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C#CCN1CCC[C@H](N(CC)C(=O)c2cscn2)CC1 ZINC000997933821 642343945 /nfs/dbraw/zinc/34/39/45/642343945.db2.gz IYXCZIBQJKNMEN-ZDUSSCGKSA-N 0 3 291.420 2.093 20 30 CEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cnccc2C)CC1 ZINC000997978914 642351170 /nfs/dbraw/zinc/35/11/70/642351170.db2.gz TXORYXOLODESNZ-MRXNPFEDSA-N 0 3 299.418 2.340 20 30 CEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ncccc2C)CC1 ZINC000997976864 642351779 /nfs/dbraw/zinc/35/17/79/642351779.db2.gz OMDCIUWIMUVBLS-INIZCTEOSA-N 0 3 299.418 2.340 20 30 CEEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC000997989930 642352156 /nfs/dbraw/zinc/35/21/56/642352156.db2.gz BCGYAYOKLDAYPH-IHRRRGAJSA-N 0 3 298.377 2.224 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C=C2CCC2)C1 ZINC000998615931 642424430 /nfs/dbraw/zinc/42/44/30/642424430.db2.gz DSIYEVVQAKFVCB-UHFFFAOYSA-N 0 3 268.788 2.428 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)c3cc(C)[nH]c3C)CC2)CC1 ZINC001000272674 642574277 /nfs/dbraw/zinc/57/42/77/642574277.db2.gz HCMKLUHJTQILHK-UHFFFAOYSA-N 0 3 299.418 2.239 20 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C#C[C@@](C)(CC)N[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000852098011 643300706 /nfs/dbraw/zinc/30/07/06/643300706.db2.gz CGXWSHFMENWTEM-HIFRSBDPSA-N 0 3 252.402 2.412 20 30 CEEDHN C#C[C@@](C)(CC)NCC(=O)N(C)Cc1ccc(OC)cc1 ZINC000852098630 643301591 /nfs/dbraw/zinc/30/15/91/643301591.db2.gz RPNMJPGVSMUTEO-KRWDZBQOSA-N 0 3 288.391 2.045 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)N(CC(C)C)C1CC1 ZINC000852103149 643307036 /nfs/dbraw/zinc/30/70/36/643307036.db2.gz YLTCLOPPNQMVGW-OAHLLOKOSA-N 0 3 250.386 2.025 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)NCCc1c(F)cccc1F ZINC000852102841 643307627 /nfs/dbraw/zinc/30/76/27/643307627.db2.gz RHGSBILVTGDVMJ-MRXNPFEDSA-N 0 3 294.345 2.015 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000852102654 643307741 /nfs/dbraw/zinc/30/77/41/643307741.db2.gz MTGWCRQWKJGSFR-MLGOLLRUSA-N 0 3 262.397 2.167 20 30 CEEDHN C#CCOCCN1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000852211552 643353842 /nfs/dbraw/zinc/35/38/42/643353842.db2.gz SZVCUGLZBHNBBQ-INIZCTEOSA-N 0 3 293.794 2.273 20 30 CEEDHN N#CC[C@H]1CCCN(C[C@H](O)c2ccc(F)cc2)C1 ZINC000852319952 643392443 /nfs/dbraw/zinc/39/24/43/643392443.db2.gz UCUADVACNJCWRF-DOMZBBRYSA-N 0 3 262.328 2.485 20 30 CEEDHN C#CCCN(CCOC)C[C@H](O)c1ccc(F)cc1Cl ZINC000852748469 643533870 /nfs/dbraw/zinc/53/38/70/643533870.db2.gz ABKZBMTXXASBJJ-HNNXBMFYSA-N 0 3 299.773 2.484 20 30 CEEDHN C=C1CCC(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)CC1 ZINC000923314775 643654408 /nfs/dbraw/zinc/65/44/08/643654408.db2.gz MBVFCYXCMKAKAV-LSDHHAIUSA-N 0 3 262.397 2.428 20 30 CEEDHN Cc1ncc(CN(C)CCc2cccc(C#N)c2)n1C ZINC000877704583 650860445 /nfs/dbraw/zinc/86/04/45/650860445.db2.gz KAIBINIKGWXOKW-UHFFFAOYSA-N 0 3 268.364 2.275 20 30 CEEDHN C=CCN(Cc1cc(OC)c(OC)cc1O)[C@@H](C)COC ZINC000853534661 643805118 /nfs/dbraw/zinc/80/51/18/643805118.db2.gz LTQZFXZCSHHWLV-LBPRGKRZSA-N 0 3 295.379 2.432 20 30 CEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(CC)on2)CC1 ZINC001006304658 643809122 /nfs/dbraw/zinc/80/91/22/643809122.db2.gz CVYAJIZQNGFHEF-UHFFFAOYSA-N 0 3 291.395 2.350 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cccc(OC)c2)CC1 ZINC001006326792 643812899 /nfs/dbraw/zinc/81/28/99/643812899.db2.gz FZEBDBJTHWMQFS-UHFFFAOYSA-N 0 3 288.391 2.418 20 30 CEEDHN C#C[C@@H](CC)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000854077698 643979402 /nfs/dbraw/zinc/97/94/02/643979402.db2.gz ZJXQCBITFHGLML-GJZGRUSLSA-N 0 3 291.370 2.139 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCc2cc(C)c(C)cc21 ZINC000838622180 643980504 /nfs/dbraw/zinc/98/05/04/643980504.db2.gz OADIEWHNHAXBSN-UHFFFAOYSA-N 0 3 299.418 2.331 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@](C)(CC)C1 ZINC000838622329 643980963 /nfs/dbraw/zinc/98/09/63/643980963.db2.gz DVZFDNMBALUZOO-INIZCTEOSA-N 0 3 279.428 2.163 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H](C)CCCC ZINC000838622709 643981061 /nfs/dbraw/zinc/98/10/61/643981061.db2.gz YUIHHETVEGNIAI-AWEZNQCLSA-N 0 3 267.417 2.162 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H](CC)CC1 ZINC000838622570 643981070 /nfs/dbraw/zinc/98/10/70/643981070.db2.gz ICDYXFLMKFCYIW-OAHLLOKOSA-N 0 3 279.428 2.163 20 30 CEEDHN C#Cc1ccc(CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1 ZINC000838642076 643984700 /nfs/dbraw/zinc/98/47/00/643984700.db2.gz DXFFPBYLOHFECK-KRWDZBQOSA-N 0 3 297.402 2.046 20 30 CEEDHN C=CCONC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000838712062 644001371 /nfs/dbraw/zinc/00/13/71/644001371.db2.gz XQEMAULSCRROHG-NEPJUHHUSA-N 0 3 281.356 2.126 20 30 CEEDHN C#CCN(C(=O)NC[C@@H]1CCN1C(C)(C)C)C1CCCC1 ZINC000854245274 644022269 /nfs/dbraw/zinc/02/22/69/644022269.db2.gz HQHBFUKKGRSQOU-HNNXBMFYSA-N 0 3 291.439 2.447 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)Cc1ccccc1 ZINC000112149011 644035467 /nfs/dbraw/zinc/03/54/67/644035467.db2.gz WJPZGGXQNUJFIV-GXTWGEPZSA-N 0 3 272.348 2.099 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(F)c2ccncc12 ZINC000854663853 644122115 /nfs/dbraw/zinc/12/21/15/644122115.db2.gz GAYDORVEFOHCQE-UHFFFAOYSA-N 0 3 299.349 2.059 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cccc(-c2cnco2)c1 ZINC000854663172 644122275 /nfs/dbraw/zinc/12/22/75/644122275.db2.gz XPJNECSXRWMNEG-UHFFFAOYSA-N 0 3 297.358 2.027 20 30 CEEDHN N#C[C@H]1CCC[C@H](OC(=O)C2CCN(C3CC3)CC2)C1 ZINC000839058324 644134009 /nfs/dbraw/zinc/13/40/09/644134009.db2.gz JYDWLLMEHVONIX-WFASDCNBSA-N 0 3 276.380 2.486 20 30 CEEDHN C#CCOc1ccccc1CN1C[C@H](O)CC(C)(C)C1 ZINC000877751959 650894604 /nfs/dbraw/zinc/89/46/04/650894604.db2.gz AAUHSXXKLRIVBJ-OAHLLOKOSA-N 0 3 273.376 2.291 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000839187196 644183494 /nfs/dbraw/zinc/18/34/94/644183494.db2.gz DEJODJWFOYOQPG-WBVHZDCISA-N 0 3 271.360 2.309 20 30 CEEDHN N#CC1(CCN2CCN(CCCCO)CC2)CCCCC1 ZINC000839520337 644241833 /nfs/dbraw/zinc/24/18/33/644241833.db2.gz HRRQPJDSHDAEIT-UHFFFAOYSA-N 0 3 293.455 2.241 20 30 CEEDHN CC(C)N1CC(N=Nc2nccnc2Cl)[C@@H](C)C1 ZINC000754256513 644347967 /nfs/dbraw/zinc/34/79/67/644347967.db2.gz ASQZOZBJDMLELE-VIFPVBQESA-N 0 3 267.764 2.258 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(C)s1 ZINC000754671128 644412783 /nfs/dbraw/zinc/41/27/83/644412783.db2.gz ZCZQDMUBOGDBQG-QWRGUYRKSA-N 0 3 295.408 2.107 20 30 CEEDHN CC[C@@H]1CN(C(=O)/C=C\c2ccccc2C#N)C[C@H](C)N1 ZINC000856409684 644663551 /nfs/dbraw/zinc/66/35/51/644663551.db2.gz WUHIPRCAOODEOB-SGMXSJEJSA-N 0 3 283.375 2.170 20 30 CEEDHN C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1cc(F)ccc1[O-] ZINC000756555501 644664841 /nfs/dbraw/zinc/66/48/41/644664841.db2.gz WOVQMFFLDBQJGS-LLVKDONJSA-N 0 3 277.343 2.170 20 30 CEEDHN Cc1ccc(COCC(=O)C(C#N)c2ccncn2)cc1 ZINC000857018475 644786585 /nfs/dbraw/zinc/78/65/85/644786585.db2.gz GQFTZYNUIZEZSA-AWEZNQCLSA-N 0 3 281.315 2.178 20 30 CEEDHN COc1c(C)cnc(CNC[C@H](O)CC(C)(C)C#N)c1C ZINC000857234390 644865017 /nfs/dbraw/zinc/86/50/17/644865017.db2.gz JYDAIVJSGYLHGD-CYBMUJFWSA-N 0 3 291.395 2.097 20 30 CEEDHN C#CCN(C[C@@H]1CCc2ncnn21)[C@@H]1CCc2ccccc21 ZINC000877990204 650969065 /nfs/dbraw/zinc/96/90/65/650969065.db2.gz BCPKNVSFKIKHLT-DOTOQJQBSA-N 0 3 292.386 2.388 20 30 CEEDHN CCCCCCCNC(=O)NC1CCN(CCOC)CC1 ZINC000858111239 645064622 /nfs/dbraw/zinc/06/46/22/645064622.db2.gz YEHROXQILRAXTP-UHFFFAOYSA-N 0 3 299.459 2.367 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C#CCOCCN(C)Cc1ccc(OC(F)F)cc1 ZINC000761106976 645242907 /nfs/dbraw/zinc/24/29/07/645242907.db2.gz BAOZPODPZVXBTL-UHFFFAOYSA-N 0 3 269.291 2.370 20 30 CEEDHN COC(=O)N[C@@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000762077223 645360694 /nfs/dbraw/zinc/36/06/94/645360694.db2.gz PRCUZQGSPNZSFE-DTWKUNHWSA-N 0 3 295.364 2.187 20 30 CEEDHN COC(=O)C1(C#N)CCN(CC2CC(C)(C)C2)CC1 ZINC000859324074 645458214 /nfs/dbraw/zinc/45/82/14/645458214.db2.gz HFYUDMJAIHICMN-UHFFFAOYSA-N 0 3 264.369 2.201 20 30 CEEDHN OC[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000763069308 645500107 /nfs/dbraw/zinc/50/01/07/645500107.db2.gz NRGPJWVLROYIIW-AWEZNQCLSA-N 0 3 283.293 2.417 20 30 CEEDHN N#CCC1(CN2CCC(OC[C@H]3CCCO3)CC2)CC1 ZINC000878180337 651026415 /nfs/dbraw/zinc/02/64/15/651026415.db2.gz ZSDVSLQGTXAADA-OAHLLOKOSA-N 0 3 278.396 2.340 20 30 CEEDHN C#CCCCCCN1CCOC2(CCOCC2)C1 ZINC000878200225 651034585 /nfs/dbraw/zinc/03/45/85/651034585.db2.gz IJFCVNHNJWELEM-UHFFFAOYSA-N 0 3 251.370 2.061 20 30 CEEDHN CCCCCCCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000861654988 646239518 /nfs/dbraw/zinc/23/95/18/646239518.db2.gz AJZVLNZXGJBUBE-QWHCGFSZSA-N 0 3 255.406 2.349 20 30 CEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C=CSC ZINC000771577698 646533631 /nfs/dbraw/zinc/53/36/31/646533631.db2.gz FHNBPKMPXWDITR-QROSGCPLSA-N 0 3 290.344 2.219 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CO)C2CC2)c(Br)c1 ZINC000771807904 646553403 /nfs/dbraw/zinc/55/34/03/646553403.db2.gz MVNMADIYCZDTEI-ZDUSSCGKSA-N 0 3 295.180 2.181 20 30 CEEDHN OC[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000771808679 646553257 /nfs/dbraw/zinc/55/32/57/646553257.db2.gz OZXAWXOBOOULMO-AWEZNQCLSA-N 0 3 299.292 2.297 20 30 CEEDHN COCCOc1cccc(C=NNc2ccnc(C)c2)c1 ZINC000863158635 646656972 /nfs/dbraw/zinc/65/69/72/646656972.db2.gz JVTXIOFANNNKPY-UHFFFAOYSA-N 0 3 285.347 2.283 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccnn3C)nc21 ZINC000774109287 646804629 /nfs/dbraw/zinc/80/46/29/646804629.db2.gz DDNNHGFXMZXSKH-GFCCVEGCSA-N 0 3 293.330 2.024 20 30 CEEDHN Cc1cccc2nc(C(C#N)C(=O)Cc3ccnn3C)[nH]c21 ZINC000774109287 646804631 /nfs/dbraw/zinc/80/46/31/646804631.db2.gz DDNNHGFXMZXSKH-GFCCVEGCSA-N 0 3 293.330 2.024 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000775278761 646936770 /nfs/dbraw/zinc/93/67/70/646936770.db2.gz GOWHNYPVSJOTAV-CJNGLKHVSA-N 0 3 288.391 2.401 20 30 CEEDHN C#C[C@H](NCCOc1cc(C)ccc1C)[C@H]1CCCO1 ZINC000775799593 646994574 /nfs/dbraw/zinc/99/45/74/646994574.db2.gz LDLTULTWZAAHEB-JKSUJKDBSA-N 0 3 273.376 2.453 20 30 CEEDHN N#Cc1c[nH]c2cc(C(=O)N[C@H]3CCN(C4CC4)C3)ccc12 ZINC000865008351 647154889 /nfs/dbraw/zinc/15/48/89/647154889.db2.gz YUOZNJFTWYCRNK-ZDUSSCGKSA-N 0 3 294.358 2.006 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc3c(c2)CCN3C)CC1 ZINC000778749255 647259785 /nfs/dbraw/zinc/25/97/85/647259785.db2.gz UPQVRHQBKGUSAJ-UHFFFAOYSA-N 0 3 299.418 2.059 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cn(C2CC2)cn1 ZINC000865552851 647356903 /nfs/dbraw/zinc/35/69/03/647356903.db2.gz ITNVKTIVCJHMTD-DOMZBBRYSA-N 0 3 261.369 2.289 20 30 CEEDHN C[C@@H](CNC(=O)c1coc(C#N)c1)N(C)Cc1ccccc1 ZINC000865697365 647429516 /nfs/dbraw/zinc/42/95/16/647429516.db2.gz ZAFUETASRXPKBQ-ZDUSSCGKSA-N 0 3 297.358 2.402 20 30 CEEDHN C=CCCn1cc(CNC[C@@H]2C[C@H]2C2CCOCC2)nn1 ZINC000865783838 647463000 /nfs/dbraw/zinc/46/30/00/647463000.db2.gz UMWKCMOUTCADCO-HOCLYGCPSA-N 0 3 290.411 2.007 20 30 CEEDHN N#Cc1ccc2c(c1)C[C@H](NCc1cn(C3CC3)cn1)C2 ZINC000865847327 647491197 /nfs/dbraw/zinc/49/11/97/647491197.db2.gz KHEXBGRLTXRDPX-OAHLLOKOSA-N 0 3 278.359 2.347 20 30 CEEDHN Cc1ccc([O-])c(C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000865848213 647492003 /nfs/dbraw/zinc/49/20/03/647492003.db2.gz LEOTVYBZXWAUMV-OAHLLOKOSA-N 0 3 279.343 2.224 20 30 CEEDHN CC1(C)CN(Cc2ccc(OCC#N)cc2)CC[C@H]1O ZINC000782577311 647636952 /nfs/dbraw/zinc/63/69/52/647636952.db2.gz AGGJGVGQNAUOBM-OAHLLOKOSA-N 0 3 274.364 2.182 20 30 CEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1CCCCS1 ZINC000783362437 647710201 /nfs/dbraw/zinc/71/02/01/647710201.db2.gz HMLJUEATLZSSJF-GHMZBOCLSA-N 0 3 289.360 2.015 20 30 CEEDHN C[C@H](C#N)OCCN1C[C@H](C)C[C@H]1c1cccnc1 ZINC000805749066 647741895 /nfs/dbraw/zinc/74/18/95/647741895.db2.gz JMEXMBDDEUSYAU-NFAWXSAZSA-N 0 3 259.353 2.393 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCCO2)c1 ZINC000121962390 648022671 /nfs/dbraw/zinc/02/26/71/648022671.db2.gz PIBVOWPNVVUKBV-KGLIPLIRSA-N 0 3 286.331 2.212 20 30 CEEDHN CC(C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786532009 648024421 /nfs/dbraw/zinc/02/44/21/648024421.db2.gz XXAUQEZZKQJEAM-GFCCVEGCSA-N 0 3 278.739 2.321 20 30 CEEDHN N#CC(C(=O)NCc1cccc(Cl)c1)C(=O)C1CCC1 ZINC000786533738 648025243 /nfs/dbraw/zinc/02/52/43/648025243.db2.gz GHEHVSBAPMFKBC-ZDUSSCGKSA-N 0 3 290.750 2.465 20 30 CEEDHN CCCN(CCN1CCCC1)C(=O)c1coc(C#N)c1 ZINC000868275780 648086054 /nfs/dbraw/zinc/08/60/54/648086054.db2.gz JJLVJIRSELCANB-UHFFFAOYSA-N 0 3 275.352 2.099 20 30 CEEDHN C#CC(C)(C)N(C)C[C@H](O)COc1cc(C)cc(C)c1 ZINC000787997012 648158179 /nfs/dbraw/zinc/15/81/79/648158179.db2.gz FNAFQSATFWTGOJ-HNNXBMFYSA-N 0 3 275.392 2.387 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc3oc(C)nc32)CC1 ZINC000868767729 648256621 /nfs/dbraw/zinc/25/66/21/648256621.db2.gz HSCKOEOWLWWYQT-UHFFFAOYSA-N 0 3 297.358 2.420 20 30 CEEDHN Cn1ccnc1N=NCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000790301646 648403497 /nfs/dbraw/zinc/40/34/97/648403497.db2.gz HIRALPKLPHOBJV-UHFFFAOYSA-N 0 3 284.279 2.256 20 30 CEEDHN N#CC(C(=O)Cc1cccc(C(F)F)c1)C(=O)NC1CC1 ZINC000790767510 648445743 /nfs/dbraw/zinc/44/57/43/648445743.db2.gz MSUHDZXEUSMLEK-LBPRGKRZSA-N 0 3 292.285 2.154 20 30 CEEDHN COC(=O)[C@H]1CC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000792200401 648624429 /nfs/dbraw/zinc/62/44/29/648624429.db2.gz IIKRECBQNPGFQL-AAEUAGOBSA-N 0 3 276.311 2.129 20 30 CEEDHN N#CC(C(=O)CCCOC1CCOCC1)c1ccccn1 ZINC000870135998 648711516 /nfs/dbraw/zinc/71/15/16/648711516.db2.gz GVLVLWLVJQQRQE-AWEZNQCLSA-N 0 3 288.347 2.234 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000870139879 648712572 /nfs/dbraw/zinc/71/25/72/648712572.db2.gz DQRGXLMOKVDFLN-KFWWJZLASA-N 0 3 296.370 2.437 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC3OCCCO3)nc21 ZINC000793153385 648712877 /nfs/dbraw/zinc/71/28/77/648712877.db2.gz DJDJAQJBHGAEOK-NSHDSACASA-N 0 3 299.330 2.201 20 30 CEEDHN Cc1cccc2nc(C(C#N)C(=O)CC3OCCCO3)[nH]c21 ZINC000793153385 648712878 /nfs/dbraw/zinc/71/28/78/648712878.db2.gz DJDJAQJBHGAEOK-NSHDSACASA-N 0 3 299.330 2.201 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@@H](O)CC[C@@H](C)CC)CC1 ZINC000793444646 648760343 /nfs/dbraw/zinc/76/03/43/648760343.db2.gz NALIDGMUJLFITM-HOCLYGCPSA-N 0 3 296.455 2.330 20 30 CEEDHN CC[C@H](NC(C)=O)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000870443791 648815196 /nfs/dbraw/zinc/81/51/96/648815196.db2.gz AAOPFEDQJQWEAW-QWRGUYRKSA-N 0 3 291.376 2.111 20 30 CEEDHN C=CCCCC(=O)Nc1cc(N2CCN(C)CC2)ccn1 ZINC000870666572 648865902 /nfs/dbraw/zinc/86/59/02/648865902.db2.gz HNPFBQHXVSIOTF-UHFFFAOYSA-N 0 3 288.395 2.128 20 30 CEEDHN CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@H]1CCC[C@@H]1C#N ZINC000870670124 648867449 /nfs/dbraw/zinc/86/74/49/648867449.db2.gz KKNRIVQODXRMOX-WWGRRREGSA-N 0 3 295.402 2.350 20 30 CEEDHN N#Cc1cccn(CN(CC2CC2)CC2CCC2)c1=O ZINC000794712927 648905307 /nfs/dbraw/zinc/90/53/07/648905307.db2.gz YRMIMOQXDHSVAJ-UHFFFAOYSA-N 0 3 271.364 2.190 20 30 CEEDHN C[C@@H](Nc1cc2n(n1)CCN(C)C2)c1ccc(C#N)cc1 ZINC000871926399 649217446 /nfs/dbraw/zinc/21/74/46/649217446.db2.gz HACQHXRKFKCEFT-GFCCVEGCSA-N 0 3 281.363 2.373 20 30 CEEDHN C#C[C@H]1CC[C@H](N[C@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000872139020 649289798 /nfs/dbraw/zinc/28/97/98/649289798.db2.gz CUDGIOABNFUEBI-QEJZJMRPSA-N 0 3 281.363 2.071 20 30 CEEDHN C=CCN(C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@@H](C)COC ZINC000878889895 651204228 /nfs/dbraw/zinc/20/42/28/651204228.db2.gz MFIHKSNEEVDRGM-ZQDZILKHSA-N 0 3 253.386 2.467 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000879023229 651229917 /nfs/dbraw/zinc/22/99/17/651229917.db2.gz JLPYNIRBZVITHL-ZDUSSCGKSA-N 0 3 284.363 2.061 20 30 CEEDHN CC#CCCN1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879225406 651264755 /nfs/dbraw/zinc/26/47/55/651264755.db2.gz CDUOVHIDVXDLIQ-OLZOCXBDSA-N 0 3 266.385 2.387 20 30 CEEDHN COCCCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585659 651327640 /nfs/dbraw/zinc/32/76/40/651327640.db2.gz MZZVVCDOKTXNOH-UHFFFAOYSA-N 0 3 273.380 2.107 20 30 CEEDHN N#Cc1ccc(N2CCN(CCC[C@H]3CCOC3)CC2)cc1 ZINC000879586940 651327983 /nfs/dbraw/zinc/32/79/83/651327983.db2.gz ZRXPFYQGQVYMSU-KRWDZBQOSA-N 0 3 299.418 2.497 20 30 CEEDHN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3CCCC#N)no1 ZINC000879680045 651338621 /nfs/dbraw/zinc/33/86/21/651338621.db2.gz CAJLLMRMTHWYPX-YHWZYXNKSA-N 0 3 260.341 2.392 20 30 CEEDHN C=CCN1CC[C@H](N2CC[C@]3(CCc4ccccc43)C2)C1=O ZINC000879996986 651371053 /nfs/dbraw/zinc/37/10/53/651371053.db2.gz LKQSKQRSZAUADO-PKOBYXMFSA-N 0 3 296.414 2.363 20 30 CEEDHN C#CCC1(O)CCN(CCc2ccc(F)c(F)c2)CC1 ZINC000880480013 651447714 /nfs/dbraw/zinc/44/77/14/651447714.db2.gz GJTFLBLGVMDGRV-UHFFFAOYSA-N 0 3 279.330 2.358 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)C2CC2)CCN1Cc1ccc(C#N)cc1 ZINC000946956054 652303723 /nfs/dbraw/zinc/30/37/23/652303723.db2.gz CSPDZMQVGXLZGG-DYVFJYSZSA-N 0 3 297.402 2.437 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccc(OCCCC)c(OC)c1 ZINC000883123361 652369462 /nfs/dbraw/zinc/36/94/62/652369462.db2.gz VJVJHVYKFNLKER-HNNXBMFYSA-N 0 3 291.391 2.348 20 30 CEEDHN C#CC[C@H](CO)NCc1c[nH]nc1-c1cccc(Cl)c1 ZINC000883123591 652369657 /nfs/dbraw/zinc/36/96/57/652369657.db2.gz DCHATKBORVPFKG-CQSZACIVSA-N 0 3 289.766 2.204 20 30 CEEDHN C#CC[C@H](CO)NCc1ccc(C(F)(F)F)s1 ZINC000883124466 652370085 /nfs/dbraw/zinc/37/00/85/652370085.db2.gz HPPSYCJYDFGREA-MRVPVSSYSA-N 0 3 263.284 2.241 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2ccnc(-c3ccccn3)n2)C1 ZINC000883294317 652426109 /nfs/dbraw/zinc/42/61/09/652426109.db2.gz WEWFIXDIXHVUPR-CHWSQXEVSA-N 0 3 279.347 2.320 20 30 CEEDHN C=C/C=C\CCNC(=O)NC1CCN(CC(=C)C)CC1 ZINC000883342357 652436983 /nfs/dbraw/zinc/43/69/83/652436983.db2.gz UFZXRPFLAIVTNP-WAYWQWQTSA-N 0 3 277.412 2.458 20 30 CEEDHN C=C(C)C[C@H](CO)N[C@H](C)c1cn2ccccc2n1 ZINC000883391461 652453178 /nfs/dbraw/zinc/45/31/78/652453178.db2.gz LERRNPARHTWYBK-CHWSQXEVSA-N 0 3 259.353 2.312 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cc(OC)ccc1OC ZINC000883401687 652457352 /nfs/dbraw/zinc/45/73/52/652457352.db2.gz UWQUUWFXGWDQER-CYBMUJFWSA-N 0 3 265.353 2.121 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)Cc2cccc(F)c2)CC1 ZINC001006372107 652588309 /nfs/dbraw/zinc/58/83/09/652588309.db2.gz JUVKKKYKQZTXBZ-UHFFFAOYSA-N 0 3 290.382 2.477 20 30 CEEDHN C[C@@H]1CCC[C@H](NC(=O)C2CC3(C2)CNC[C@H]3C#N)[C@H]1C ZINC000884048420 652659321 /nfs/dbraw/zinc/65/93/21/652659321.db2.gz KJUUGNJFTGDZBI-CVZHDLGWSA-N 0 3 289.423 2.067 20 30 CEEDHN CN(CC1CCCCC1)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884067699 652692799 /nfs/dbraw/zinc/69/27/99/652692799.db2.gz PCIWSRLBODLKFK-ISXOHVOVSA-N 0 3 289.423 2.164 20 30 CEEDHN Cc1ccc2c(c1)N(C(=O)C1CC3(C1)CNC[C@H]3C#N)CC2 ZINC000884113167 652713416 /nfs/dbraw/zinc/71/34/16/652713416.db2.gz IAOFOJHXVUVTBI-SWKXRBFHSA-N 0 3 295.386 2.024 20 30 CEEDHN CC1(C)CCCC[C@@H]1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884141972 652725567 /nfs/dbraw/zinc/72/55/67/652725567.db2.gz OFGMUBGTQNONPL-DLOXAQCQSA-N 0 3 289.423 2.211 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)CC1 ZINC000884161874 652736406 /nfs/dbraw/zinc/73/64/06/652736406.db2.gz OSLXBSKEAJCEOY-SDADXPQNSA-N 0 3 291.439 2.228 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC ZINC001029312041 805673403 /nfs/dbraw/zinc/67/34/03/805673403.db2.gz NVYMTQHEMUYVOF-QXSJWSMHSA-N 0 3 292.423 2.053 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccsn2)[C@H]1CC ZINC001087617833 805762040 /nfs/dbraw/zinc/76/20/40/805762040.db2.gz OBCRJWWDJSTAOV-WCQYABFASA-N 0 3 279.409 2.302 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCC2(F)F)[C@H]1CC ZINC001087618533 805762616 /nfs/dbraw/zinc/76/26/16/805762616.db2.gz AIOJOWWJGFYIII-GRYCIOLGSA-N 0 3 272.339 2.187 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ncc3ccccn32)[C@H]1CC ZINC001087657485 805766169 /nfs/dbraw/zinc/76/61/69/805766169.db2.gz KHGOGOONZVLZBN-LSDHHAIUSA-N 0 3 298.390 2.103 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)C(C)(C)C3CCC3)C[C@@H]2C1 ZINC001088054297 805889087 /nfs/dbraw/zinc/88/90/87/805889087.db2.gz XGLYEVSJABRLQI-CABCVRRESA-N 0 3 288.435 2.226 20 30 CEEDHN C=CCCC(=O)N1CC[C@H](NCc2nccs2)[C@@H](C)C1 ZINC001271378407 805921831 /nfs/dbraw/zinc/92/18/31/805921831.db2.gz ZZPAUVPKWZTPTF-STQMWFEESA-N 0 3 293.436 2.436 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2C1 ZINC001088181177 805965769 /nfs/dbraw/zinc/96/57/69/805965769.db2.gz WWOCWOFMBZKBJB-MSOLQXFVSA-N 0 3 296.414 2.412 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)C(CC)CC)C[C@@H]2C1 ZINC001271866964 806123746 /nfs/dbraw/zinc/12/37/46/806123746.db2.gz KZFTYLBDIRAATJ-CWRNSKLLSA-N 0 3 276.424 2.082 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2scnc2C)[C@H]1C ZINC001088478852 806288036 /nfs/dbraw/zinc/28/80/36/806288036.db2.gz UUBVVEWOHFSLDV-NEPJUHHUSA-N 0 3 279.409 2.220 20 30 CEEDHN CC(=O)N1CCC(CN(C)Cc2ccc(C#N)s2)CC1 ZINC001029921794 806294575 /nfs/dbraw/zinc/29/45/75/806294575.db2.gz AOHXMWOYCGREGS-UHFFFAOYSA-N 0 3 291.420 2.310 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(C)o2)[C@H]1C ZINC001088529697 806353963 /nfs/dbraw/zinc/35/39/63/806353963.db2.gz JPJJVYBSJZKONI-HIFRSBDPSA-N 0 3 276.380 2.286 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N(C)CCN(C)C[C@H](CC)OC ZINC001272080236 806462888 /nfs/dbraw/zinc/46/28/88/806462888.db2.gz KSLDJRURVDTWFQ-AWEZNQCLSA-N 0 3 284.444 2.404 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1CCC ZINC001272106668 806552926 /nfs/dbraw/zinc/55/29/26/806552926.db2.gz XMWONRWPMMKVPA-ZIAGYGMSSA-N 0 3 252.402 2.389 20 30 CEEDHN C=CCC1(C(=O)N(C)CCN(C)C[C@@H](C)O)CCCCC1 ZINC001272178258 806570275 /nfs/dbraw/zinc/57/02/75/806570275.db2.gz FDUZHMHKXQRDRB-OAHLLOKOSA-N 0 3 296.455 2.284 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2cnc(C3CC3)o2)[C@H]1C ZINC001088630394 806573572 /nfs/dbraw/zinc/57/35/72/806573572.db2.gz CXAVRMHYSUPUKI-YPMHNXCESA-N 0 3 289.379 2.321 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C2(C3CC3)CC2)[C@H]1C ZINC001088644423 806576369 /nfs/dbraw/zinc/57/63/69/806576369.db2.gz BXFMHXBMSVAEGF-OCCSQVGLSA-N 0 3 262.397 2.332 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)[C@H]1C ZINC001088656398 806583958 /nfs/dbraw/zinc/58/39/58/806583958.db2.gz QKGHGRLUSCDZNB-KFWWJZLASA-N 0 3 262.397 2.498 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C[C@H]2CC=CCC2)[C@H]1C ZINC001088797963 806728377 /nfs/dbraw/zinc/72/83/77/806728377.db2.gz TXQPDZSRCKBZSW-ILXRZTDVSA-N 0 3 262.397 2.498 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)[C@H]1C ZINC001088801523 806731586 /nfs/dbraw/zinc/73/15/86/806731586.db2.gz FRYWBVXXSGDTLQ-ILXRZTDVSA-N 0 3 276.424 2.415 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C2(c3cccnc3)CC2)[C@H]1C ZINC001088810836 806743653 /nfs/dbraw/zinc/74/36/53/806743653.db2.gz XECJPLKQJGFOPM-ZBFHGGJFSA-N 0 3 299.418 2.268 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccnc2C)[C@H]1C ZINC001088827785 806788267 /nfs/dbraw/zinc/78/82/67/806788267.db2.gz IIBGCENUXYKNEG-HIFRSBDPSA-N 0 3 273.380 2.159 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H](F)C(C)C)C2)C1 ZINC001040339720 806790792 /nfs/dbraw/zinc/79/07/92/806790792.db2.gz CYKNNWLUEWVVHP-RDJZCZTQSA-N 0 3 294.414 2.318 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)Cc3occc3C)[C@@H]2C1 ZINC001076219300 806826126 /nfs/dbraw/zinc/82/61/26/806826126.db2.gz BJKVZXJGHKSBBM-LSDHHAIUSA-N 0 3 288.391 2.239 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CC34CCC4)[C@@H]2C1 ZINC001076298654 806835552 /nfs/dbraw/zinc/83/55/52/806835552.db2.gz DNUGEDOZOMKEFE-RRFJBIMHSA-N 0 3 274.408 2.285 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1c(C)noc1C(F)F ZINC001266286586 802374436 /nfs/dbraw/zinc/37/44/36/802374436.db2.gz SBWGSKCLQOOSGX-UHFFFAOYSA-N 0 3 287.310 2.158 20 30 CEEDHN Cc1nc(CN2CCC3SC(=O)C=C3C2)cs1 ZINC001206798905 802413955 /nfs/dbraw/zinc/41/39/55/802413955.db2.gz RLQQXCPRRPCJDU-NSHDSACASA-N 0 3 266.391 2.226 20 30 CEEDHN C=CCN(C)CCNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001266316097 802431661 /nfs/dbraw/zinc/43/16/61/802431661.db2.gz RLFZAYNCPKBBLY-UHFFFAOYSA-N 0 3 287.363 2.024 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C=CCN(CC)CCNC(=O)Cc1cc(C)ccc1OC ZINC001266400241 802529880 /nfs/dbraw/zinc/52/98/80/802529880.db2.gz DRJRTDXDGGICFZ-UHFFFAOYSA-N 0 3 290.407 2.170 20 30 CEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCO1 ZINC001266483926 802626356 /nfs/dbraw/zinc/62/63/56/802626356.db2.gz JZVSHRMPOYLTFD-OWCLPIDISA-N 0 3 292.423 2.197 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)SC ZINC001266484258 802626679 /nfs/dbraw/zinc/62/66/79/802626679.db2.gz VIPNEPPNOVHVFH-MCIONIFRSA-N 0 3 282.453 2.379 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1ccc(OC)cc1 ZINC001266491980 802629709 /nfs/dbraw/zinc/62/97/09/802629709.db2.gz FGYOAYAOIJAQIP-HNNXBMFYSA-N 0 3 288.391 2.004 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1csc(CC)n1 ZINC001266495082 802630513 /nfs/dbraw/zinc/63/05/13/802630513.db2.gz GTAMITJDSVJFGX-CYBMUJFWSA-N 0 3 293.436 2.015 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)CC2=CCCCC2)C1 ZINC001266506004 802647531 /nfs/dbraw/zinc/64/75/31/802647531.db2.gz SIMAKRXIDZWQIM-MRXNPFEDSA-N 0 3 274.408 2.338 20 30 CEEDHN CCOC(=O)[C@@H]1CCCCN(Cc2cc(C#N)n(C)c2)C1 ZINC001207108526 802778721 /nfs/dbraw/zinc/77/87/21/802778721.db2.gz FBWPCOVQRKFMAQ-CQSZACIVSA-N 0 3 289.379 2.062 20 30 CEEDHN C/C(=C/C(=O)N(C)CCNCc1cccc(C#N)c1)C1CC1 ZINC001266651007 802812494 /nfs/dbraw/zinc/81/24/94/802812494.db2.gz PIJVELDNZCXRJP-UVTDQMKNSA-N 0 3 297.402 2.463 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2cncs2)C1 ZINC001266703777 802851014 /nfs/dbraw/zinc/85/10/14/802851014.db2.gz QAJRQDNRBLJDTP-PHIMTYICSA-N 0 3 279.409 2.092 20 30 CEEDHN C=C(C)CN1CCC[C@H](CNC(=O)CCCC(C)=O)C1 ZINC001266740749 802874520 /nfs/dbraw/zinc/87/45/20/802874520.db2.gz YNDWTXGTVVGPJT-OAHLLOKOSA-N 0 3 280.412 2.150 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)C2(CC)CC2)C1 ZINC001266761159 802885396 /nfs/dbraw/zinc/88/53/96/802885396.db2.gz VJQCHYBJEKXJHV-AWEZNQCLSA-N 0 3 262.397 2.028 20 30 CEEDHN C#CCNCCN(C)C(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC001266834588 802932336 /nfs/dbraw/zinc/93/23/36/802932336.db2.gz VJVZHYVYZFVOPB-OAHLLOKOSA-N 0 3 286.419 2.424 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(C)CCC2)C1 ZINC001266893742 802975324 /nfs/dbraw/zinc/97/53/24/802975324.db2.gz DINJZBGRGXDSDB-KGLIPLIRSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)CCCC#CC)C1 ZINC001266895389 802976385 /nfs/dbraw/zinc/97/63/85/802976385.db2.gz NSWUIKVDXSTLJE-CVEARBPZSA-N 0 3 274.408 2.030 20 30 CEEDHN CC#CCN[C@H](C)CNC(=O)[C@H](CC)CCCC ZINC001266926833 803003751 /nfs/dbraw/zinc/00/37/51/803003751.db2.gz QWEUWUQOJXLIBV-ZIAGYGMSSA-N 0 3 252.402 2.320 20 30 CEEDHN CC#CCN[C@@H](C)CNC(=O)[C@H](C)c1cccc(C)c1 ZINC001266974370 803030322 /nfs/dbraw/zinc/03/03/22/803030322.db2.gz HRMNFGFPZKVXDG-LSDHHAIUSA-N 0 3 272.392 2.216 20 30 CEEDHN CC#CCN[C@H](C)CNC(=O)c1cccc(C)c1Cl ZINC001266979336 803033820 /nfs/dbraw/zinc/03/38/20/803033820.db2.gz FKFOJNFGOPUUGL-GFCCVEGCSA-N 0 3 278.783 2.380 20 30 CEEDHN CC#CCN[C@H]1CCN(C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001267013601 803059093 /nfs/dbraw/zinc/05/90/93/803059093.db2.gz TUYVYPDYSWKYSF-AWEZNQCLSA-N 0 3 295.386 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/nfs/dbraw/zinc/34/36/12/809343612.db2.gz PGBBFYWWKDWKJB-HNNXBMFYSA-N 0 3 298.390 2.057 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(C)cc2C)C1 ZINC001033633276 809366238 /nfs/dbraw/zinc/36/62/38/809366238.db2.gz QRANBYQNGCWPAM-INIZCTEOSA-N 0 3 284.403 2.473 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccn2CC)C1 ZINC001033661955 809376158 /nfs/dbraw/zinc/37/61/58/809376158.db2.gz UCICHJCYLCITMA-CQSZACIVSA-N 0 3 275.396 2.230 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)c3ccoc3C)C2)CC1 ZINC001040598204 809416899 /nfs/dbraw/zinc/41/68/99/809416899.db2.gz HVACRWSTPUSMHH-UHFFFAOYSA-N 0 3 286.375 2.149 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCOCC2)C1 ZINC001033819270 809428515 /nfs/dbraw/zinc/42/85/15/809428515.db2.gz XLVOMDOHALRBJY-HZPDHXFCSA-N 0 3 294.439 2.302 20 30 CEEDHN COC(=O)C1(C)CCC(NC(=N)c2ccc(F)cn2)CC1 ZINC001168752930 809452701 /nfs/dbraw/zinc/45/27/01/809452701.db2.gz WPPGEHBFXQIKIY-UHFFFAOYSA-N 0 3 293.342 2.048 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2Cc3ccccc32)C1 ZINC001033942963 809463056 /nfs/dbraw/zinc/46/30/56/809463056.db2.gz NWQACNCFLAMOMK-AEFFLSMTSA-N 0 3 296.414 2.272 20 30 CEEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2nccs2)C1 ZINC001033996439 809474785 /nfs/dbraw/zinc/47/47/85/809474785.db2.gz NYJGEXPAUQBHSX-LBPRGKRZSA-N 0 3 279.409 2.256 20 30 CEEDHN C#CCCCNCc1snc(OC)c1Br ZINC000701949972 809478479 /nfs/dbraw/zinc/47/84/79/809478479.db2.gz FMTOHTQEWKQWGQ-UHFFFAOYSA-N 0 3 289.198 2.417 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccccn2)C1 ZINC001034081564 809504581 /nfs/dbraw/zinc/50/45/81/809504581.db2.gz SQJJVTFWZAWFBC-AWEZNQCLSA-N 0 3 273.380 2.242 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2cc[nH]c2CC)C1 ZINC001034195154 809548690 /nfs/dbraw/zinc/54/86/90/809548690.db2.gz OZUQWOAVLRATAY-ZDUSSCGKSA-N 0 3 275.396 2.347 20 30 CEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc3occc3[nH]2)C1 ZINC001034230093 809556138 /nfs/dbraw/zinc/55/61/38/809556138.db2.gz BBHDDYITKVNLBC-ZDUSSCGKSA-N 0 3 299.374 2.369 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2(C)CC2)C1 ZINC001034222394 809558179 /nfs/dbraw/zinc/55/81/79/809558179.db2.gz DKCDQVIUESALHL-ZDUSSCGKSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2nccc3[nH]ccc32)C1 ZINC001034407023 809596588 /nfs/dbraw/zinc/59/65/88/809596588.db2.gz PXEISWWVQJXFQC-CYBMUJFWSA-N 0 3 298.390 2.333 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCCN(CC(=C)C)C1 ZINC001034405064 809602363 /nfs/dbraw/zinc/60/23/63/809602363.db2.gz XVSUCSXRJIPIDO-XHSDSOJGSA-N 0 3 292.423 2.124 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC001034458807 809613556 /nfs/dbraw/zinc/61/35/56/809613556.db2.gz SXURPGJRAQEXJJ-AWEZNQCLSA-N 0 3 291.395 2.452 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](CC)SC)CC2 ZINC001035688311 809803340 /nfs/dbraw/zinc/80/33/40/809803340.db2.gz LIWMBGBJKSPYQZ-CQSZACIVSA-N 0 3 294.464 2.076 20 30 CEEDHN C[C@H](C#N)C(=O)N1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001035672146 809805027 /nfs/dbraw/zinc/80/50/27/809805027.db2.gz GWYUSJIVENNZFP-OAHLLOKOSA-N 0 3 297.402 2.271 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CC[C@@H](C(F)F)C2)cc1 ZINC000707135170 809881000 /nfs/dbraw/zinc/88/10/00/809881000.db2.gz FLOYIVSPWBUMNZ-CHWSQXEVSA-N 0 3 266.291 2.179 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C)o2)C1 ZINC001079590593 810224329 /nfs/dbraw/zinc/22/43/29/810224329.db2.gz BKKZWOTYTOYOTL-IUODEOHRSA-N 0 3 276.380 2.143 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2coc(C)c2)C1 ZINC001079618600 810225957 /nfs/dbraw/zinc/22/59/57/810225957.db2.gz FFLIWBQMGXSPCH-BXUZGUMPSA-N 0 3 262.353 2.214 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)sn2)C1 ZINC001079628607 810226607 /nfs/dbraw/zinc/22/66/07/810226607.db2.gz JQWCLRLKEUXQCQ-ZWNOBZJWSA-N 0 3 279.409 2.078 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001080194954 810253787 /nfs/dbraw/zinc/25/37/87/810253787.db2.gz ZYVBSRFEDJZISK-MGPQQGTHSA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC)C1 ZINC001080350381 810272907 /nfs/dbraw/zinc/27/29/07/810272907.db2.gz HCPONVLMZIOBSB-RHSMWYFYSA-N 0 3 284.403 2.322 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2ccc3ccncc3n2)C1 ZINC001015292788 810276734 /nfs/dbraw/zinc/27/67/34/810276734.db2.gz KQORPZSDCMVEEK-CQSZACIVSA-N 0 3 296.374 2.010 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001080524631 810293346 /nfs/dbraw/zinc/29/33/46/810293346.db2.gz RCJLWIIDOKXLIY-FVQBIDKESA-N 0 3 288.366 2.157 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001080590883 810295758 /nfs/dbraw/zinc/29/57/58/810295758.db2.gz KVWZDLZISDGREU-FAAHXZRKSA-N 0 3 262.397 2.045 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001080776624 810307716 /nfs/dbraw/zinc/30/77/16/810307716.db2.gz MKJOZAIBVJZGEX-UKRRQHHQSA-N 0 3 288.391 2.306 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001015568017 810307773 /nfs/dbraw/zinc/30/77/73/810307773.db2.gz DGAKDNAHZQNASD-QWHCGFSZSA-N 0 3 250.386 2.189 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001080884089 810315922 /nfs/dbraw/zinc/31/59/22/810315922.db2.gz JATKRGXZYAVNTI-NVXWUHKLSA-N 0 3 284.403 2.377 20 30 CEEDHN COc1nccc(CN[C@@H](C)Cc2ccc(C#N)cc2)n1 ZINC001172301539 815361861 /nfs/dbraw/zinc/36/18/61/815361861.db2.gz QHLRDALRVFZOIS-LBPRGKRZSA-N 0 3 282.347 2.078 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccsc2)[C@H](OC)C1 ZINC001081334334 810338043 /nfs/dbraw/zinc/33/80/43/810338043.db2.gz NNQKLNYBJZVWNW-ZIAGYGMSSA-N 0 3 294.420 2.143 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@H](OC)C1 ZINC001081493846 810340603 /nfs/dbraw/zinc/34/06/03/810340603.db2.gz XUJAJEPJLNQJCH-CHWSQXEVSA-N 0 3 294.439 2.060 20 30 CEEDHN C=CC1CCN(C(=O)c2cc3c(s2)CNCC3)CC1 ZINC001121875942 815362811 /nfs/dbraw/zinc/36/28/11/815362811.db2.gz LOKNRWOQYOSSHL-UHFFFAOYSA-N 0 3 276.405 2.432 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001015813993 810359003 /nfs/dbraw/zinc/35/90/03/810359003.db2.gz GGKRBDBPDKLMGD-ZDUSSCGKSA-N 0 3 289.379 2.241 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H]2CCCC2(C)C)[C@H](OC)C1 ZINC001082037702 810360499 /nfs/dbraw/zinc/36/04/99/810360499.db2.gz YVSXBKSSYMVCCP-RRFJBIMHSA-N 0 3 294.439 2.204 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001015826258 810361333 /nfs/dbraw/zinc/36/13/33/810361333.db2.gz BDEKWLXNHUFRBP-FGTMMUONSA-N 0 3 296.414 2.312 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCN(C2CC2)CC1 ZINC001172307960 815365157 /nfs/dbraw/zinc/36/51/57/815365157.db2.gz IKGFOJAKQUAVTB-CQSZACIVSA-N 0 3 269.392 2.269 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001015985795 810383605 /nfs/dbraw/zinc/38/36/05/810383605.db2.gz DUJBOGVUXKMYLG-MRXNPFEDSA-N 0 3 295.386 2.075 20 30 CEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)COCC ZINC001098881258 810389630 /nfs/dbraw/zinc/38/96/30/810389630.db2.gz XPNHWGJBGRFSHL-CQSZACIVSA-N 0 3 282.428 2.206 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(OC)cc2)C1 ZINC001016085862 810397665 /nfs/dbraw/zinc/39/76/65/810397665.db2.gz NXLAVHHQTRBWOO-HNNXBMFYSA-N 0 3 288.391 2.004 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001016356499 810426926 /nfs/dbraw/zinc/42/69/26/810426926.db2.gz JFHSKXVFITUYSN-KRWDZBQOSA-N 0 3 282.387 2.391 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccccc3C)[C@@H]2C1 ZINC001084163868 810441963 /nfs/dbraw/zinc/44/19/63/810441963.db2.gz MCNLCJUZZYTFAY-NVXWUHKLSA-N 0 3 282.387 2.165 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(C)s2)CC1 ZINC001016479957 810443507 /nfs/dbraw/zinc/44/35/07/810443507.db2.gz QBCMXWNUFLQBKG-AWEZNQCLSA-N 0 3 288.416 2.274 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)C3CC3)[C@@H]2C1 ZINC001084257513 810453993 /nfs/dbraw/zinc/45/39/93/810453993.db2.gz DKRDOJWSPXEAER-BPLDGKMQSA-N 0 3 262.397 2.141 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C2CC(C)(C)C2)CC1 ZINC001016606495 810457307 /nfs/dbraw/zinc/45/73/07/810457307.db2.gz XZLRZLBXNMZMDJ-OAHLLOKOSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)[C@@H](CC)SC)[C@@H]2C1 ZINC001084284598 810460039 /nfs/dbraw/zinc/46/00/39/810460039.db2.gz IBLTTXQKAJLLIP-MGPQQGTHSA-N 0 3 282.453 2.237 20 30 CEEDHN CN1CCC[C@@H]2CN(C(=O)Nc3cccc(C#N)c3)C[C@H]21 ZINC001202786882 810461622 /nfs/dbraw/zinc/46/16/22/810461622.db2.gz JICAHJYSZCDAQN-UKRRQHHQSA-N 0 3 284.363 2.116 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(C)sn3)[C@@H]2C1 ZINC001084308930 810462082 /nfs/dbraw/zinc/46/20/82/810462082.db2.gz MGBJKPKYWFDVEI-TZMCWYRMSA-N 0 3 291.420 2.174 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc[nH]c2C(C)C)CC1 ZINC001016785794 810468263 /nfs/dbraw/zinc/46/82/63/810468263.db2.gz LPQHACOKMGAXDO-HNNXBMFYSA-N 0 3 299.418 2.356 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CC2CC(C)(C)C2)CC1 ZINC001016787495 810468323 /nfs/dbraw/zinc/46/83/23/810468323.db2.gz NTGIMAFQSFAPKZ-HNNXBMFYSA-N 0 3 288.435 2.417 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc(C)[nH]c3C)[C@@H]2C1 ZINC001084688221 810499439 /nfs/dbraw/zinc/49/94/39/810499439.db2.gz OFWDYEVNKIXQBO-GDBMZVCRSA-N 0 3 287.407 2.354 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCOCC1 ZINC001017292361 810507045 /nfs/dbraw/zinc/50/70/45/810507045.db2.gz LISDMMGWUCVUJD-IYBDPMFKSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3nc(C)oc3C)[C@@H]2C1 ZINC001084738377 810510563 /nfs/dbraw/zinc/51/05/63/810510563.db2.gz FXBWAGLQEBNZLE-ZIAGYGMSSA-N 0 3 289.379 2.014 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001084780588 810517543 /nfs/dbraw/zinc/51/75/43/810517543.db2.gz LQQVLOIDNMXESA-CGTJXYLNSA-N 0 3 296.414 2.346 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C=C1CCC1 ZINC001017468025 810524807 /nfs/dbraw/zinc/52/48/07/810524807.db2.gz WJQNOURJFLPMRY-GASCZTMLSA-N 0 3 260.381 2.348 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cccn3C(C)C)[C@@H]2C1 ZINC001084835276 810529078 /nfs/dbraw/zinc/52/90/78/810529078.db2.gz RYPNGFMJDWZBLX-NVXWUHKLSA-N 0 3 299.418 2.239 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc43)C[C@@H]21 ZINC001085020399 810566679 /nfs/dbraw/zinc/56/66/79/810566679.db2.gz SPFBFJVSXMXKBN-OLMNPRSZSA-N 0 3 296.414 2.435 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC34CCC4)C[C@@H]21 ZINC001085045057 810571719 /nfs/dbraw/zinc/57/17/19/810571719.db2.gz UYKMIPQWXWYDKD-PMPSAXMXSA-N 0 3 286.419 2.123 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC34CCC4)C[C@@H]21 ZINC001085045056 810572072 /nfs/dbraw/zinc/57/20/72/810572072.db2.gz UYKMIPQWXWYDKD-OAGGEKHMSA-N 0 3 286.419 2.123 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](CC)OCC ZINC001231025117 810576879 /nfs/dbraw/zinc/57/68/79/810576879.db2.gz HWTLJIGATWBOQW-GJZGRUSLSA-N 0 3 282.428 2.300 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CCc2c(cccc2OC)C1 ZINC001122037393 815380834 /nfs/dbraw/zinc/38/08/34/815380834.db2.gz YYCAWZAQMONSHE-OAHLLOKOSA-N 0 3 288.391 2.264 20 30 CEEDHN CCCCCCCC[C@H](N)C(=O)N(C)Cc1c[nH]cn1 ZINC001122054828 815381264 /nfs/dbraw/zinc/38/12/64/815381264.db2.gz AHAVZLRLIRECDA-AWEZNQCLSA-N 0 3 280.416 2.446 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@H](CO)c1ccccn1 ZINC001172297696 815387431 /nfs/dbraw/zinc/38/74/31/815387431.db2.gz RRJALSADQMOWGG-CXAGYDPISA-N 0 3 281.359 2.207 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H]1CCc2ccccc21 ZINC000115905013 810667172 /nfs/dbraw/zinc/66/71/72/810667172.db2.gz YETFBWADAJACNO-UKRRQHHQSA-N 0 3 284.359 2.340 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cccc(C3CCC3)c2)C1 ZINC001019652329 810727067 /nfs/dbraw/zinc/72/70/67/810727067.db2.gz LXTGJYUOMVMVOB-KRWDZBQOSA-N 0 3 282.387 2.391 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC001019694807 810731062 /nfs/dbraw/zinc/73/10/62/810731062.db2.gz QBTYBDHPTCLAKX-ZDUSSCGKSA-N 0 3 296.292 2.143 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C(C)C)[nH]n1 ZINC001122207279 815392329 /nfs/dbraw/zinc/39/23/29/815392329.db2.gz CYLZVRPGXSHVEV-SNVBAGLBSA-N 0 3 250.346 2.155 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc(CC)c(C)s2)C1 ZINC001019752829 810736133 /nfs/dbraw/zinc/73/61/33/810736133.db2.gz YQIMTXHAZASRHX-ZDUSSCGKSA-N 0 3 276.405 2.056 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@H](CC)c2ccc(F)cc2)C1 ZINC001019840297 810745196 /nfs/dbraw/zinc/74/51/96/810745196.db2.gz KSXZZPIBJYEJMH-JKSUJKDBSA-N 0 3 288.366 2.143 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C)on1 ZINC001085473804 810778000 /nfs/dbraw/zinc/77/80/00/810778000.db2.gz OCQWAABSKFXBRZ-ZDUSSCGKSA-N 0 3 277.368 2.096 20 30 CEEDHN C=C(C)CN1CC([C@H](C)NC(=O)C[C@@H](C)CC)C1 ZINC001276376029 810784080 /nfs/dbraw/zinc/78/40/80/810784080.db2.gz KDEYGGBIJWAGNX-STQMWFEESA-N 0 3 252.402 2.435 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(CC)n[nH]1 ZINC001085493056 810791008 /nfs/dbraw/zinc/79/10/08/810791008.db2.gz KGXDFOCLWOOIIE-CQSZACIVSA-N 0 3 290.411 2.085 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001020373370 810796954 /nfs/dbraw/zinc/79/69/54/810796954.db2.gz WQFGFEALDFRPSF-XYPYZODXSA-N 0 3 298.770 2.029 20 30 CEEDHN CC(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001085535783 810813765 /nfs/dbraw/zinc/81/37/65/810813765.db2.gz PHOPAGKPXLYVEF-CQSZACIVSA-N 0 3 288.395 2.079 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001038415537 810836180 /nfs/dbraw/zinc/83/61/80/810836180.db2.gz GCZREUFLZRVNNN-CYBMUJFWSA-N 0 3 261.369 2.012 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccccc1COC ZINC001038457359 810841512 /nfs/dbraw/zinc/84/15/12/810841512.db2.gz GBQXUJOTKNLXNU-HNNXBMFYSA-N 0 3 288.391 2.213 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1OCC[C@H]1CC ZINC001085651248 810863707 /nfs/dbraw/zinc/86/37/07/810863707.db2.gz NQRXSRCEZLIGDJ-PMPSAXMXSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ncc2ccccn21 ZINC001085722130 810892151 /nfs/dbraw/zinc/89/21/51/810892151.db2.gz OZYQAYFZWUFSMV-OAHLLOKOSA-N 0 3 298.390 2.057 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1CCC(C)C ZINC001038799091 810917056 /nfs/dbraw/zinc/91/70/56/810917056.db2.gz UOWFFGUNTJIQCB-JYJNAYRXSA-N 0 3 294.439 2.204 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1CCC(OC)CC1 ZINC001085791906 810917203 /nfs/dbraw/zinc/91/72/03/810917203.db2.gz VXLDNSLUBZRGAP-HWOWSKLDSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1Cc2ccccc21 ZINC001085795120 810918600 /nfs/dbraw/zinc/91/86/00/810918600.db2.gz MSTPGNQCZKJZFL-RDJZCZTQSA-N 0 3 284.403 2.435 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccn(C)c1C ZINC001085806400 810922383 /nfs/dbraw/zinc/92/23/83/810922383.db2.gz GSTREUHYSZHDAK-HNNXBMFYSA-N 0 3 289.423 2.446 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001038890192 810939150 /nfs/dbraw/zinc/93/91/50/810939150.db2.gz OKGRMTBNFYGCPU-CQSZACIVSA-N 0 3 287.407 2.274 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2cccnn21 ZINC001085861423 810945713 /nfs/dbraw/zinc/94/57/13/810945713.db2.gz XYDHUQUCGHBLFU-OAHLLOKOSA-N 0 3 298.390 2.057 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccn2ccnc12 ZINC001085872892 810950245 /nfs/dbraw/zinc/95/02/45/810950245.db2.gz KDJNYJKNZGJLON-AWEZNQCLSA-N 0 3 298.390 2.057 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc2nc[nH]c21 ZINC001085888551 810955242 /nfs/dbraw/zinc/95/52/42/810955242.db2.gz ATJHAFDBEYNIHY-ZDUSSCGKSA-N 0 3 298.390 2.285 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cn(CC)cn1 ZINC001085929159 810970971 /nfs/dbraw/zinc/97/09/71/810970971.db2.gz PKPRTYUMOOSOGK-AWEZNQCLSA-N 0 3 290.411 2.016 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccccc1OC ZINC001085940432 810975412 /nfs/dbraw/zinc/97/54/12/810975412.db2.gz HDWUDVTYHUAZJE-AWEZNQCLSA-N 0 3 288.391 2.418 20 30 CEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)C2CCC2)C1 ZINC001039178298 810994148 /nfs/dbraw/zinc/99/41/48/810994148.db2.gz OCHUWMSLXXDMHU-HOTGVXAUSA-N 0 3 274.408 2.123 20 30 CEEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CC)C1 ZINC001039187078 810997545 /nfs/dbraw/zinc/99/75/45/810997545.db2.gz DZOBZJOAKZKOTP-LSDHHAIUSA-N 0 3 262.397 2.123 20 30 CEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC=CC2)C1 ZINC001039208200 811001008 /nfs/dbraw/zinc/00/10/08/811001008.db2.gz DMQWXNOKJBHNCT-IRXDYDNUSA-N 0 3 286.419 2.289 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001039352484 811015774 /nfs/dbraw/zinc/01/57/74/811015774.db2.gz BVQIYAYXHWWRAO-ALYAQQCSSA-N 0 3 286.419 2.121 20 30 CEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccoc1 ZINC001039354390 811015945 /nfs/dbraw/zinc/01/59/45/811015945.db2.gz LCUCMSHBOADILI-CVEARBPZSA-N 0 3 288.391 2.464 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cccc1 ZINC001039360390 811017560 /nfs/dbraw/zinc/01/75/60/811017560.db2.gz KXRYINNGTPYLCE-ZACQAIPSSA-N 0 3 299.418 2.138 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2CC(C)C2)C1 ZINC001086058194 811019163 /nfs/dbraw/zinc/01/91/63/811019163.db2.gz ZMMQSEGEYSJYKV-TYPVWINXSA-N 0 3 270.804 2.269 20 30 CEEDHN CCOCC[C@@H](C)N1CCN(c2ccc(C#N)cc2)CC1 ZINC001172428386 815418781 /nfs/dbraw/zinc/41/87/81/815418781.db2.gz FUUDASZDSARVIV-OAHLLOKOSA-N 0 3 287.407 2.495 20 30 CEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3oncc3C)C2)C1 ZINC001040476014 811112273 /nfs/dbraw/zinc/11/22/73/811112273.db2.gz SMXCFDHLCZTQKQ-INIZCTEOSA-N 0 3 289.379 2.097 20 30 CEEDHN CC#CCN1CCC2(CCN(C(=O)/C=C/C3CC3)C2)CC1 ZINC001040652455 811122750 /nfs/dbraw/zinc/12/27/50/811122750.db2.gz LGGZRWQXPNCQMT-VOTSOKGWSA-N 0 3 286.419 2.290 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC001040996756 811132545 /nfs/dbraw/zinc/13/25/45/811132545.db2.gz BDSNLBBRUXCDBE-QGZVFWFLSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)C(C)(C)C(=C)C)C2)C1 ZINC001041535158 811171051 /nfs/dbraw/zinc/17/10/51/811171051.db2.gz CUZVICAPFKGSGW-QGZVFWFLSA-N 0 3 274.408 2.146 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CCO[C@@H](C(C)(C)C)CC1 ZINC001122571822 815426841 /nfs/dbraw/zinc/42/68/41/815426841.db2.gz DYRMFDGOXASDKQ-UONOGXRCSA-N 0 3 282.428 2.334 20 30 CEEDHN C#CCCN1CC[C@H]2CCN(C(=O)c3cccs3)C[C@H]21 ZINC001041911462 811215007 /nfs/dbraw/zinc/21/50/07/811215007.db2.gz AWZBGNFYGLOOHF-UONOGXRCSA-N 0 3 288.416 2.308 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(C)nc3)C[C@H]21 ZINC001041943966 811221708 /nfs/dbraw/zinc/22/17/08/811221708.db2.gz SLQNODROROUCDK-GOEBONIOSA-N 0 3 285.391 2.112 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)C3CC(F)(F)C3)C[C@@H]21 ZINC001042004895 811230687 /nfs/dbraw/zinc/23/06/87/811230687.db2.gz DLUOCKHRIAFETQ-AAEUAGOBSA-N 0 3 284.350 2.141 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3coc(C)c3)C[C@H]21 ZINC001042029810 811234817 /nfs/dbraw/zinc/23/48/17/811234817.db2.gz WJAYLDISSLXTSZ-UKRRQHHQSA-N 0 3 274.364 2.310 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3[nH]c(C)cc3C)C[C@H]21 ZINC001042118860 811244725 /nfs/dbraw/zinc/24/47/25/811244725.db2.gz YNNKRRRFFXWIJV-LSDHHAIUSA-N 0 3 287.407 2.354 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(C)CCC3)C[C@@H]21 ZINC001042182429 811251734 /nfs/dbraw/zinc/25/17/34/811251734.db2.gz LIZZWUYAYGWEPE-KBPBESRZSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccnc3C)C[C@H]21 ZINC001042206912 811257547 /nfs/dbraw/zinc/25/75/47/811257547.db2.gz NRFCNMZXLWUCHF-GOEBONIOSA-N 0 3 285.391 2.112 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C)[nH]c3C)C[C@H]21 ZINC001042247465 811264342 /nfs/dbraw/zinc/26/43/42/811264342.db2.gz OXMHYOKQLJSFCD-GOEBONIOSA-N 0 3 287.407 2.354 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3nc(C)oc3C)C[C@H]21 ZINC001042285624 811266106 /nfs/dbraw/zinc/26/61/06/811266106.db2.gz PPVDDPMVUXRKMB-ZIAGYGMSSA-N 0 3 289.379 2.014 20 30 CEEDHN C[C@H](CCCC#N)N[C@@H]1c2ccccc2CNC1=O ZINC001172488951 815450529 /nfs/dbraw/zinc/45/05/29/815450529.db2.gz OFYUMZWCKXUVFM-BXUZGUMPSA-N 0 3 257.337 2.029 20 30 CEEDHN COC(=O)C[C@H](N[C@H](C)CCCC#N)c1ccccn1 ZINC001172489633 815451010 /nfs/dbraw/zinc/45/10/10/815451010.db2.gz XEMFAKLWUIATTO-OCCSQVGLSA-N 0 3 275.352 2.358 20 30 CEEDHN C[C@H](CCCC#N)N1CCN(c2ccccn2)CC1 ZINC001172490773 815451558 /nfs/dbraw/zinc/45/15/58/815451558.db2.gz KRPOZYRLMBKFLS-CQSZACIVSA-N 0 3 258.369 2.286 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CC(=C)C1)C2 ZINC001095982774 811507220 /nfs/dbraw/zinc/50/72/20/811507220.db2.gz KRQFUPSKWCBVPT-ILXRZTDVSA-N 0 3 272.392 2.088 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCC[C@H]1CNCc1ccns1 ZINC001045151790 811578260 /nfs/dbraw/zinc/57/82/60/811578260.db2.gz QXHIELZJOOAULP-LBPRGKRZSA-N 0 3 293.436 2.436 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001045456798 811614050 /nfs/dbraw/zinc/61/40/50/811614050.db2.gz DSFRIGDDJAQAAD-LSDHHAIUSA-N 0 3 294.439 2.204 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001045529388 811622700 /nfs/dbraw/zinc/62/27/00/811622700.db2.gz MIEDISIZGNLMHG-AWEZNQCLSA-N 0 3 276.424 2.417 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@H]2CCC[C@H](OC)C2)CC1 ZINC001045541932 811624222 /nfs/dbraw/zinc/62/42/22/811624222.db2.gz XDGLWQRBHDQGAB-GJZGRUSLSA-N 0 3 294.439 2.348 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC001045608226 811632315 /nfs/dbraw/zinc/63/23/15/811632315.db2.gz LCBAYFRCDOVWJV-HOCLYGCPSA-N 0 3 276.424 2.417 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cc(C)n(C)c2C)CC1 ZINC001045637145 811635922 /nfs/dbraw/zinc/63/59/22/811635922.db2.gz YAHUIQVGPXEFJP-UHFFFAOYSA-N 0 3 289.423 2.412 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)c1ccc[nH]1)C2 ZINC001045913094 811661979 /nfs/dbraw/zinc/66/19/79/811661979.db2.gz AKRPVLKNMADPNQ-SFHVURJKSA-N 0 3 299.418 2.356 20 30 CEEDHN C=C[C@@H](CO)Nc1cccc(N2CCCC[C@H]2C)n1 ZINC001169779369 811667611 /nfs/dbraw/zinc/66/76/11/811667611.db2.gz HHOUYQWUBPOXFO-OLZOCXBDSA-N 0 3 261.369 2.419 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC(C)(F)F)C2 ZINC001045965719 811669921 /nfs/dbraw/zinc/66/99/21/811669921.db2.gz VWMGFLVSWQEIGI-INIZCTEOSA-N 0 3 298.377 2.370 20 30 CEEDHN C=C[C@@H](CO)Nc1ccc(F)c(CN2CCCC2)c1 ZINC001169784720 811670884 /nfs/dbraw/zinc/67/08/84/811670884.db2.gz QZUZEBCTDYSNAV-ZDUSSCGKSA-N 0 3 264.344 2.380 20 30 CEEDHN C=CCC[N@H+]1CC[C@@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001046153263 811698070 /nfs/dbraw/zinc/69/80/70/811698070.db2.gz RGEAVHVDLCUVIF-MRXNPFEDSA-N 0 3 274.364 2.163 20 30 CEEDHN C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001046153263 811698075 /nfs/dbraw/zinc/69/80/75/811698075.db2.gz RGEAVHVDLCUVIF-MRXNPFEDSA-N 0 3 274.364 2.163 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC13CCC3)C2 ZINC001096077530 811699691 /nfs/dbraw/zinc/69/96/91/811699691.db2.gz 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ZINC001109054965 811817525 /nfs/dbraw/zinc/81/75/25/811817525.db2.gz IHNHHVVWEHTXQR-UGUYLWEFSA-N 0 3 292.423 2.243 20 30 CEEDHN C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)COC ZINC001109353589 811864291 /nfs/dbraw/zinc/86/42/91/811864291.db2.gz ONRDWHTWUSVKLI-KBXIAJHMSA-N 0 3 280.412 2.099 20 30 CEEDHN CC#CCCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000901357735 811864865 /nfs/dbraw/zinc/86/48/65/811864865.db2.gz OWPQBOGOAPQKMN-UHFFFAOYSA-N 0 3 269.348 2.434 20 30 CEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C3CCC3)C2)CC1 ZINC001047215147 811869823 /nfs/dbraw/zinc/86/98/23/811869823.db2.gz IMDLSVLEYSLXKD-KRWDZBQOSA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccccn1)C2 ZINC001109593313 811911352 /nfs/dbraw/zinc/91/13/52/811911352.db2.gz BKCCCPWUEFVNLP-IKGGRYGDSA-N 0 3 299.418 2.312 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccsc3C)C[C@@H]2C1 ZINC001048809416 812030864 /nfs/dbraw/zinc/03/08/64/812030864.db2.gz PSABURIYOBYVIZ-OKILXGFUSA-N 0 3 288.416 2.084 20 30 CEEDHN 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/nfs/dbraw/zinc/19/03/76/812190376.db2.gz QLUZOKRQLHNLEL-QZTJIDSGSA-N 0 3 296.414 2.236 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1CC ZINC001049731905 812201232 /nfs/dbraw/zinc/20/12/32/812201232.db2.gz HJCZTHZXEVNTIE-KLHDSHLOSA-N 0 3 274.408 2.121 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)Cc1ccco1 ZINC001049808174 812212252 /nfs/dbraw/zinc/21/22/52/812212252.db2.gz PGUNYWQQFPUQCJ-CABCVRRESA-N 0 3 274.364 2.073 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1ccco1 ZINC001049808175 812212558 /nfs/dbraw/zinc/21/25/58/812212558.db2.gz PGUNYWQQFPUQCJ-GJZGRUSLSA-N 0 3 274.364 2.073 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(C)CCCOC1 ZINC001049817810 812214966 /nfs/dbraw/zinc/21/49/66/812214966.db2.gz OBHSTWGKRZOOSP-INMHGKMJSA-N 0 3 292.423 2.054 20 30 CEEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH]cc1C ZINC001049891078 812226544 /nfs/dbraw/zinc/22/65/44/812226544.db2.gz QRLNXCPLRWAMRY-CVEARBPZSA-N 0 3 285.391 2.025 20 30 CEEDHN CCCCCCCN1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001113687830 812301418 /nfs/dbraw/zinc/30/14/18/812301418.db2.gz OGBBNINCKDQNAJ-UHFFFAOYSA-N 0 3 297.487 2.441 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CC)ccn1)C2 ZINC001097127868 812330296 /nfs/dbraw/zinc/33/02/96/812330296.db2.gz GBZIDWRIURHLMK-INMHGKMJSA-N 0 3 297.402 2.002 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC(F)(F)C1)C2 ZINC001097362833 812358703 /nfs/dbraw/zinc/35/87/03/812358703.db2.gz HAWMLTYBJFBBQP-MCIONIFRSA-N 0 3 296.361 2.167 20 30 CEEDHN CCOC(=O)C(C#N)Nc1nc2ccccc2cc1CC#N ZINC001170367867 812395018 /nfs/dbraw/zinc/39/50/18/812395018.db2.gz JLNAGIZBXISBFS-AWEZNQCLSA-N 0 3 294.314 2.168 20 30 CEEDHN Cc1ccc2c(c1)C[C@H]([NH2+][C@@H](CC(C)C)C(=O)N[O-])CC2 ZINC001172834795 815530338 /nfs/dbraw/zinc/53/03/38/815530338.db2.gz GMEXITYXCCAIEH-CVEARBPZSA-N 0 3 290.407 2.362 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2cc(C(C)C)no2)CC1 ZINC001052762748 812457197 /nfs/dbraw/zinc/45/71/97/812457197.db2.gz BKXXDBAURITIPC-ZDUSSCGKSA-N 0 3 289.379 2.016 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC001052771254 812459053 /nfs/dbraw/zinc/45/90/53/812459053.db2.gz JKHDGIIYIVVNSL-KSZLIROESA-N 0 3 296.414 2.394 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1cccnc1)C(C)C ZINC001115021152 812469541 /nfs/dbraw/zinc/46/95/41/812469541.db2.gz WRMQRQNFZUJEAQ-VVLHAWIVSA-N 0 3 299.418 2.054 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)Cc2ccc(C)c(C)c2)CC1 ZINC001052915484 812474864 /nfs/dbraw/zinc/47/48/64/812474864.db2.gz CMPPNZKHAYOAKT-SFHVURJKSA-N 0 3 298.430 2.450 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2cccn2C(C)C)CC1 ZINC001052938659 812475842 /nfs/dbraw/zinc/47/58/42/812475842.db2.gz BXQAGQQUQBUOHX-HNNXBMFYSA-N 0 3 287.407 2.287 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)c2cc[nH]c2)C1 ZINC001053088144 812489804 /nfs/dbraw/zinc/48/98/04/812489804.db2.gz ZDEMJLUSVJBIIV-IRXDYDNUSA-N 0 3 299.418 2.355 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C1CCCC1)C2 ZINC001054067816 812529499 /nfs/dbraw/zinc/52/94/99/812529499.db2.gz 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812770309 /nfs/dbraw/zinc/77/03/09/812770309.db2.gz OETMIBDRQGTHEN-JKSUJKDBSA-N 0 3 288.391 2.321 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)N(CCCO)C1 ZINC001132058298 812781479 /nfs/dbraw/zinc/78/14/79/812781479.db2.gz XPETWUAGRWQUSJ-HOCLYGCPSA-N 0 3 294.439 2.106 20 30 CEEDHN C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)N(CCOCC)C1 ZINC001132072383 812784889 /nfs/dbraw/zinc/78/48/89/812784889.db2.gz KSSJOIUMSWYXBA-HUUCEWRRSA-N 0 3 282.428 2.348 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CC34CCC4)[C@@H]2C1 ZINC001050152014 812790868 /nfs/dbraw/zinc/79/08/68/812790868.db2.gz AGHYBPKDXLKRLO-SOUVJXGZSA-N 0 3 274.408 2.285 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)COC)CC[C@H]1C ZINC001132178614 812795920 /nfs/dbraw/zinc/79/59/20/812795920.db2.gz SZHOZJRAPZPVAI-ZIAGYGMSSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)CCC(F)F)CC[C@@H]1C ZINC001132181857 812797560 /nfs/dbraw/zinc/79/75/60/812797560.db2.gz BKVXWDZTBKXPMC-QWRGUYRKSA-N 0 3 260.328 2.187 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)C(F)F)CC[C@H]1C ZINC001132288791 812823775 /nfs/dbraw/zinc/82/37/75/812823775.db2.gz WUADVSKTHZXQCV-VXGBXAGGSA-N 0 3 286.366 2.270 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC001050639074 812846227 /nfs/dbraw/zinc/84/62/27/812846227.db2.gz OKXDFAYJVWXVHD-JKSUJKDBSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CC[C@@H](C)C3)C2)CC1 ZINC001050688983 812852058 /nfs/dbraw/zinc/85/20/58/812852058.db2.gz FDBLRGGPLIIMKM-HZPDHXFCSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@@H](C)C3CCCC3)C2)CC1 ZINC001050728644 812854894 /nfs/dbraw/zinc/85/48/94/812854894.db2.gz RBBQYDDDUIKATC-HNNXBMFYSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C[C@H](C)C3CC3)C2)CC1 ZINC001050768155 812860751 /nfs/dbraw/zinc/86/07/51/812860751.db2.gz ZTPOAVCGXZBVLR-HNNXBMFYSA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1ncoc1C(C)(C)C ZINC001170622018 812880869 /nfs/dbraw/zinc/88/08/69/812880869.db2.gz ZWOLLZWVPDTTFL-UHFFFAOYSA-N 0 3 299.802 2.434 20 30 CEEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001132564854 812891394 /nfs/dbraw/zinc/89/13/94/812891394.db2.gz LJRFWKUJYRHBIG-KGLIPLIRSA-N 0 3 285.391 2.222 20 30 CEEDHN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1ccsc1 ZINC001132574003 812898108 /nfs/dbraw/zinc/89/81/08/812898108.db2.gz UQNBOXJEQYNCCN-RYUDHWBXSA-N 0 3 266.410 2.412 20 30 CEEDHN CC#CCCCC(=O)NCCNCc1ccsc1 ZINC001132593161 812903830 /nfs/dbraw/zinc/90/38/30/812903830.db2.gz UBMCWNNXCUGOMP-UHFFFAOYSA-N 0 3 264.394 2.148 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001132653842 812914273 /nfs/dbraw/zinc/91/42/73/812914273.db2.gz SNBFAMKALGHWIS-AWEZNQCLSA-N 0 3 285.391 2.366 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)NCCNCc1cccnc1C ZINC001132654127 812915218 /nfs/dbraw/zinc/91/52/18/812915218.db2.gz ZFUUVXQOEOXACK-CYBMUJFWSA-N 0 3 275.396 2.198 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001132652983 812918490 /nfs/dbraw/zinc/91/84/90/812918490.db2.gz BCBBDHUTMVJLMA-LBPRGKRZSA-N 0 3 291.420 2.428 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C=C(C)CN1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[C@H]1C ZINC001071438925 813406302 /nfs/dbraw/zinc/40/63/02/813406302.db2.gz UHWKTNLGYUWESW-OCCSQVGLSA-N 0 3 286.379 2.045 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)sn2)CC[C@H]1C ZINC001071467002 813415137 /nfs/dbraw/zinc/41/51/37/813415137.db2.gz KNKLRTGDZKVLAC-YPMHNXCESA-N 0 3 291.420 2.058 20 30 CEEDHN C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CCS1 ZINC000217829124 813420541 /nfs/dbraw/zinc/42/05/41/813420541.db2.gz KAPBCARLYJPGIF-BXUZGUMPSA-N 0 3 262.378 2.029 20 30 CEEDHN C=CCN1C[C@H](NC(=O)Cc2ccncc2C)CC[C@@H]1C ZINC001071508904 813424974 /nfs/dbraw/zinc/42/49/74/813424974.db2.gz VABFEKUVKXKGNP-GOEBONIOSA-N 0 3 287.407 2.088 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cc(CC)ccn2)CC[C@@H]1C ZINC001071527444 813429977 /nfs/dbraw/zinc/42/99/77/813429977.db2.gz DBSGSGGNIKMLIU-GOEBONIOSA-N 0 3 299.418 2.250 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C2C=CC=CC=C2)CC[C@H]1C ZINC001071540034 813434935 /nfs/dbraw/zinc/43/49/35/813434935.db2.gz REXWAINJSVXDOW-WBVHZDCISA-N 0 3 284.403 2.277 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2[nH]ccc2C2CC2)CC[C@@H]1C ZINC001071561675 813437882 /nfs/dbraw/zinc/43/78/82/813437882.db2.gz SSXUZACUCXLWDE-DZGCQCFKSA-N 0 3 299.418 2.498 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cnc(C)o2)CC[C@H]1C ZINC001071566498 813439743 /nfs/dbraw/zinc/43/97/43/813439743.db2.gz UATPZCPPRUYJFG-OCCSQVGLSA-N 0 3 291.395 2.071 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C)nc2C)CC[C@@H]1C ZINC001072095196 813543668 /nfs/dbraw/zinc/54/36/68/813543668.db2.gz GMMMRTFXZXICAQ-GOEBONIOSA-N 0 3 299.418 2.304 20 30 CEEDHN CC[C@@H](C)[C@@H](C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001135858934 813549033 /nfs/dbraw/zinc/54/90/33/813549033.db2.gz GXDDLWAGWCNANJ-ZIAGYGMSSA-N 0 3 287.407 2.446 20 30 CEEDHN C[C@@H](C#N)OCCN1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000396569607 813573825 /nfs/dbraw/zinc/57/38/25/813573825.db2.gz NRYXXGAYXSNDMT-HOTGVXAUSA-N 0 3 287.407 2.121 20 30 CEEDHN CC(C)[C@@H]1C[C@@H]1C(=O)NCCNCc1cccc(C#N)c1 ZINC001136062231 813594092 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C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccn1C(C)C)C2 ZINC001098415723 813923148 /nfs/dbraw/zinc/92/31/48/813923148.db2.gz NWYRHIJLLJCJSK-OAGGEKHMSA-N 0 3 299.418 2.427 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cscn2)C1 ZINC001098755420 813945282 /nfs/dbraw/zinc/94/52/82/813945282.db2.gz FOWMHOQDAWEYPQ-WFASDCNBSA-N 0 3 291.420 2.304 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2=CCCC2)C1 ZINC001098788057 813949790 /nfs/dbraw/zinc/94/97/90/813949790.db2.gz KYWSMTXBQGNSIC-RDJZCZTQSA-N 0 3 272.392 2.091 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H](COCC3CC3)C2)nc1 ZINC001144163614 813966745 /nfs/dbraw/zinc/96/67/45/813966745.db2.gz MUVVAJLFBMLUAZ-OAHLLOKOSA-N 0 3 271.364 2.202 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](C)C2CC2)C[C@H]1C(F)(F)F ZINC001099232962 813995832 /nfs/dbraw/zinc/99/58/32/813995832.db2.gz VAGNSPCYEFRHKN-MVWJERBFSA-N 0 3 290.329 2.197 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C2(CC)CCCC2)[C@@H](O)C1 ZINC001100055628 814057316 /nfs/dbraw/zinc/05/73/16/814057316.db2.gz GLPUCGHWRZLBNX-CABCVRRESA-N 0 3 294.439 2.084 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)CC(C)C)[C@@H](O)C1 ZINC001100068764 814060507 /nfs/dbraw/zinc/06/05/07/814060507.db2.gz ATTHLHCHQPTZJG-GJZGRUSLSA-N 0 3 296.455 2.186 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)C2CC2)C1 ZINC001100224145 814076517 /nfs/dbraw/zinc/07/65/17/814076517.db2.gz FADIHEKVIWJHDV-XSRFYTQQSA-N 0 3 270.804 2.269 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001091195004 814173560 /nfs/dbraw/zinc/17/35/60/814173560.db2.gz IMPGNCAEULAYCC-XCDXQOEGSA-N 0 3 282.815 2.269 20 30 CEEDHN C=C(C)CN1C[C@@H]2CN(C(=O)CCCC(C)=O)C[C@]2(C)C1 ZINC001101125322 814224476 /nfs/dbraw/zinc/22/44/76/814224476.db2.gz SMVRBXWVIMPHJK-WBVHZDCISA-N 0 3 292.423 2.102 20 30 CEEDHN C=CCN1CC=C(CCNC(=O)[C@H](OC)C2CCC2)CC1 ZINC001160798363 814244740 /nfs/dbraw/zinc/24/47/40/814244740.db2.gz GOVUZQXTKSWUHF-MRXNPFEDSA-N 0 3 292.423 2.126 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3ccoc3C)C[C@]2(C)C1 ZINC001091465912 814248789 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C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)noc1C)C2 ZINC001095162695 815719588 /nfs/dbraw/zinc/71/95/88/815719588.db2.gz GFBGLLVQJYQDJV-RDBSUJKOSA-N 0 3 289.379 2.203 20 30 CEEDHN CC1(C#N)CCC(N2C[C@H](F)C[C@@H](CO)C2)CC1 ZINC001173592629 815755582 /nfs/dbraw/zinc/75/55/82/815755582.db2.gz WVXDNUOAHMMLTE-IWMBGFJWSA-N 0 3 254.349 2.111 20 30 CEEDHN C=CCc1cccc(C[NH+]2CCC(NC(C)=O)CC2)c1[O-] ZINC001138624497 815846415 /nfs/dbraw/zinc/84/64/15/815846415.db2.gz MNQLVVKYZNWFAA-UHFFFAOYSA-N 0 3 288.391 2.221 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C1CC1)C2 ZINC001095275951 815875029 /nfs/dbraw/zinc/87/50/29/815875029.db2.gz UYVQMPGJZXOYEA-ATGSNQNLSA-N 0 3 262.397 2.330 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CCC[C@@H]1O ZINC001139526943 816039583 /nfs/dbraw/zinc/03/95/83/816039583.db2.gz PMYSDGSKWJZAQL-ABAIWWIYSA-N 0 3 262.328 2.290 20 30 CEEDHN C=CCn1cc(CN2CCN(CCCCC)CC2)cn1 ZINC001139770186 816110057 /nfs/dbraw/zinc/11/00/57/816110057.db2.gz GRAHTXHDZZGGID-UHFFFAOYSA-N 0 3 276.428 2.377 20 30 CEEDHN C=CCn1cc(CN2CC[C@@H](c3ccncc3)C2)cn1 ZINC001139770339 816110159 /nfs/dbraw/zinc/11/01/59/816110159.db2.gz MXEZVKJZJZNSRR-MRXNPFEDSA-N 0 3 268.364 2.454 20 30 CEEDHN C=CCn1cc(CN2CCC[C@@]3(CCOC3)C2)cn1 ZINC001139768923 816110371 /nfs/dbraw/zinc/11/03/71/816110371.db2.gz WNVLHUVHITXISJ-OAHLLOKOSA-N 0 3 261.369 2.072 20 30 CEEDHN Cc1cnc(CN2CCC3SC(=O)C=C3C2)s1 ZINC001139810482 816115568 /nfs/dbraw/zinc/11/55/68/816115568.db2.gz XLQZJRHQBWMNRN-SNVBAGLBSA-N 0 3 266.391 2.226 20 30 CEEDHN C#C[C@H]1CCCN(Cc2n[nH]c3ccc(OC)cc32)C1 ZINC001140069508 816187130 /nfs/dbraw/zinc/18/71/30/816187130.db2.gz XGKYAEPVHJMNBS-LBPRGKRZSA-N 0 3 269.348 2.417 20 30 CEEDHN C#C[C@H]1CCCN(CCN(C)C(=O)OC(C)(C)C)C1 ZINC001203000554 816189005 /nfs/dbraw/zinc/18/90/05/816189005.db2.gz DVWZISRDKMOZLV-ZDUSSCGKSA-N 0 3 266.385 2.199 20 30 CEEDHN O=C1C=C2CN(Cc3ccc4n[nH]cc4c3)CCC2S1 ZINC001140387430 816248945 /nfs/dbraw/zinc/24/89/45/816248945.db2.gz VIANCBWRZLKAOM-CQSZACIVSA-N 0 3 285.372 2.337 20 30 CEEDHN COC(=O)COc1ccccc1CN1CCC(S)CC1 ZINC001140425650 816253003 /nfs/dbraw/zinc/25/30/03/816253003.db2.gz CMSSVBQDBHTDRA-UHFFFAOYSA-N 0 3 295.404 2.133 20 30 CEEDHN C#C[C@@H]1CCC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141029443 816451593 /nfs/dbraw/zinc/45/15/93/816451593.db2.gz RTOOMFJLJOTQRF-GFCCVEGCSA-N 0 3 275.348 2.255 20 30 CEEDHN C#C[C@@H]1CCC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141029443 816451598 /nfs/dbraw/zinc/45/15/98/816451598.db2.gz RTOOMFJLJOTQRF-GFCCVEGCSA-N 0 3 275.348 2.255 20 30 CEEDHN C#CCNC(=O)CN(C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000839171072 816565090 /nfs/dbraw/zinc/56/50/90/816565090.db2.gz YAUZCZQVCQYVSS-HOTGVXAUSA-N 0 3 270.376 2.004 20 30 CEEDHN N#CC(Cc1cccs1)C(=O)Nc1noc2nccnc12 ZINC001177903402 816639686 /nfs/dbraw/zinc/63/96/86/816639686.db2.gz HELSJMIFMVISKC-QMMMGPOBSA-N 0 3 299.315 2.000 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C[C@@H](C)CC)C1 ZINC001149633059 816883754 /nfs/dbraw/zinc/88/37/54/816883754.db2.gz ZFXVRJLUIVUXFC-LSDHHAIUSA-N 0 3 282.428 2.206 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCO[C@]3(CCOC3)C2)c(F)c1 ZINC000356291944 370644799 /nfs/dbraw/zinc/64/47/99/370644799.db2.gz WNCKZTXWMLMXIZ-GOEBONIOSA-N 0 3 290.338 2.125 20 30 CEEDHN C=CCOc1ccccc1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000621150511 349511604 /nfs/dbraw/zinc/51/16/04/349511604.db2.gz GQEGVMNLOSRWSV-OAHLLOKOSA-N 0 3 288.391 2.321 20 30 CEEDHN C=CCCCN(C)CC(=O)NCc1ccc(COC)cc1 ZINC000121136573 365526507 /nfs/dbraw/zinc/52/65/07/365526507.db2.gz QBEIXQXSFXMJEZ-UHFFFAOYSA-N 0 3 290.407 2.347 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000336297700 365549549 /nfs/dbraw/zinc/54/95/49/365549549.db2.gz CRYOFOFBSIIQSC-OLZOCXBDSA-N 0 3 250.386 2.284 20 30 CEEDHN CN1CCC2(CCCN2C(=O)c2sccc2C#N)CC1 ZINC000336383779 365565969 /nfs/dbraw/zinc/56/59/69/365565969.db2.gz DZKGIXGOTUEZPN-UHFFFAOYSA-N 0 3 289.404 2.320 20 30 CEEDHN CC(C#N)C(=O)N1CCOC2(C1)CCCCCC2 ZINC000336523051 365593771 /nfs/dbraw/zinc/59/37/71/365593771.db2.gz LWPZLPUFPBIACU-LBPRGKRZSA-N 0 3 250.342 2.098 20 30 CEEDHN C=CCOc1cccc(CN2CCC[C@@H](C(=O)NC)C2)c1 ZINC000125056677 187167708 /nfs/dbraw/zinc/16/77/08/187167708.db2.gz GIQULQIWHPMWHS-OAHLLOKOSA-N 0 3 288.391 2.209 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N(CC(=O)N(CCC#N)CCC#N)C1 ZINC000125125466 365666966 /nfs/dbraw/zinc/66/69/66/365666966.db2.gz DNWSENKWEHGPQF-HUUCEWRRSA-N 0 3 290.411 2.153 20 30 CEEDHN C=CCCCN(C)C(=O)NCCN1CCC(C)CC1 ZINC000125320217 365672275 /nfs/dbraw/zinc/67/22/75/365672275.db2.gz XIFZSAPLCGQWEN-UHFFFAOYSA-N 0 3 267.417 2.326 20 30 CEEDHN CN(C(=O)Nc1cccc2c1CCNC2)[C@@H]1CCC[C@@H]1C#N ZINC000601566492 346851930 /nfs/dbraw/zinc/85/19/30/346851930.db2.gz NRZPSGJOIIDELU-MLGOLLRUSA-N 0 3 298.390 2.488 20 30 CEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccccc1CC#N ZINC000601574536 346852416 /nfs/dbraw/zinc/85/24/16/346852416.db2.gz LFIVAWXXTRLYTC-GDBMZVCRSA-N 0 3 297.402 2.451 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)C2(C#N)CC3(CC3)C2)C1 ZINC000601621710 346863140 /nfs/dbraw/zinc/86/31/40/346863140.db2.gz OLYHSCQESPEMOI-CYBMUJFWSA-N 0 3 275.396 2.011 20 30 CEEDHN COC1CCN(CCNc2cccc(F)c2C#N)CC1 ZINC000080250536 344004615 /nfs/dbraw/zinc/00/46/15/344004615.db2.gz TVUIBCKHVHRIRM-UHFFFAOYSA-N 0 3 277.343 2.220 20 30 CEEDHN C[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1cccnc1 ZINC000037889107 361958919 /nfs/dbraw/zinc/95/89/19/361958919.db2.gz NHVXMMGTRNZSJF-WBMJQRKESA-N 0 3 267.332 2.337 20 30 CEEDHN C#CCOc1ccccc1CNCCC(=O)N[C@@H](C)CC ZINC000037997174 361976795 /nfs/dbraw/zinc/97/67/95/361976795.db2.gz GEMQPUSEQAJIOQ-AWEZNQCLSA-N 0 3 288.391 2.093 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000567723864 299081252 /nfs/dbraw/zinc/08/12/52/299081252.db2.gz VWAINIUVWURNGR-RISCZKNCSA-N 0 3 267.336 2.227 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000567723864 299081253 /nfs/dbraw/zinc/08/12/53/299081253.db2.gz VWAINIUVWURNGR-RISCZKNCSA-N 0 3 267.336 2.227 20 30 CEEDHN C#CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000080564590 344014144 /nfs/dbraw/zinc/01/41/44/344014144.db2.gz VYMXPBIFGNWOQD-GXTWGEPZSA-N 0 3 291.420 2.063 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000352247347 529489242 /nfs/dbraw/zinc/48/92/42/529489242.db2.gz XUFCOBNHKDSNRV-GUTXKFCHSA-N 0 3 265.401 2.305 20 30 CEEDHN N#CCSCCCN1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000080627856 344017441 /nfs/dbraw/zinc/01/74/41/344017441.db2.gz RSNIEOVTTVUAHO-CQSZACIVSA-N 0 3 295.452 2.110 20 30 CEEDHN CC(C)CN(CCN(C)C)C(=O)c1cccc(C#N)c1 ZINC000042277617 362077108 /nfs/dbraw/zinc/07/71/08/362077108.db2.gz ZMGGOXWCYWFOML-UHFFFAOYSA-N 0 3 273.380 2.218 20 30 CEEDHN C=CCOCCNCc1cc(OC)c(OC)cc1OC ZINC000312380292 539288403 /nfs/dbraw/zinc/28/84/03/539288403.db2.gz JORHTINITCBLKR-UHFFFAOYSA-N 0 3 281.352 2.005 20 30 CEEDHN C=CCOCCNCc1cnc(C)n1-c1ccccc1 ZINC000312598031 539290720 /nfs/dbraw/zinc/29/07/20/539290720.db2.gz OPZWUJXHARBHAG-UHFFFAOYSA-N 0 3 271.364 2.473 20 30 CEEDHN CC(C#N)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000043522891 362147023 /nfs/dbraw/zinc/14/70/23/362147023.db2.gz MTDQNLULBJNEIT-ZETCQYMHSA-N 0 3 263.240 2.391 20 30 CEEDHN CC(C)N1CCC[C@@H](N2CCC(CCC#N)CC2)C1=O ZINC000573441415 334937780 /nfs/dbraw/zinc/93/77/80/334937780.db2.gz CJWYLWKFAKTXSL-OAHLLOKOSA-N 0 3 277.412 2.402 20 30 CEEDHN COc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000041495559 343441726 /nfs/dbraw/zinc/44/17/26/343441726.db2.gz AWZMWNOWCPEADJ-NSHDSACASA-N 0 3 292.298 2.457 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)NCC#Cc2ccccc2)C1 ZINC000045431295 343483398 /nfs/dbraw/zinc/48/33/98/343483398.db2.gz TZNQACMRUMFTIV-INIZCTEOSA-N 0 3 299.418 2.069 20 30 CEEDHN CCC1(CC)CN(C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000601958858 346942930 /nfs/dbraw/zinc/94/29/30/346942930.db2.gz NYYKQBGPZFMCNZ-CQSZACIVSA-N 0 3 280.412 2.180 20 30 CEEDHN N#CC1(C[C@H](O)CN2CC(c3ccccc3)C2)CC1 ZINC000601962922 346944367 /nfs/dbraw/zinc/94/43/67/346944367.db2.gz GXEYSPDGPRJEFF-HNNXBMFYSA-N 0 3 256.349 2.141 20 30 CEEDHN C=CCNC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000047605620 343519423 /nfs/dbraw/zinc/51/94/23/343519423.db2.gz JPNYWLSFLSZSOX-MRXNPFEDSA-N 0 3 287.407 2.309 20 30 CEEDHN CCC(=O)N1CC[C@H](NC2CC(C#N)(c3ccccc3)C2)C1 ZINC000127759698 365761023 /nfs/dbraw/zinc/76/10/23/365761023.db2.gz KHJRMSAIKHORRR-HJOIGYKYSA-N 0 3 297.402 2.211 20 30 CEEDHN CC1CCN(C(=O)C2CCN(CCCC#N)CC2)CC1 ZINC000052158959 343557175 /nfs/dbraw/zinc/55/71/75/343557175.db2.gz GDTKKTWNMRKCAD-UHFFFAOYSA-N 0 3 277.412 2.261 20 30 CEEDHN C[C@H](CNC(=O)/C=C/c1ccc(C#N)cc1)N(C)C1CC1 ZINC000057720590 343636205 /nfs/dbraw/zinc/63/62/05/343636205.db2.gz VJTIFUVOIREZME-UTSBKAFOSA-N 0 3 283.375 2.170 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)Nc3cccc(CC#N)c3)[C@@H]2C1 ZINC000334981799 529807379 /nfs/dbraw/zinc/80/73/79/529807379.db2.gz IWFDRYATLBMBOK-GOEBONIOSA-N 0 3 298.390 2.311 20 30 CEEDHN C[C@H](CCO)CCNCc1cccc(F)c1C#N ZINC000602023792 346963089 /nfs/dbraw/zinc/96/30/89/346963089.db2.gz KLRJTZBGWCSKEY-NSHDSACASA-N 0 3 250.317 2.196 20 30 CEEDHN CC[C@H](CCO)CNCc1cccc(F)c1C#N ZINC000602013475 346959050 /nfs/dbraw/zinc/95/90/50/346959050.db2.gz PAJJDDMMKYCGCA-LLVKDONJSA-N 0 3 250.317 2.196 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000066894626 343724810 /nfs/dbraw/zinc/72/48/10/343724810.db2.gz CTUVWIVODJZSCU-CQSZACIVSA-N 0 3 282.428 2.348 20 30 CEEDHN N#Cc1cccc(C(=O)N2CCC[C@H]2CN2CCCC2)c1 ZINC000066945871 343726187 /nfs/dbraw/zinc/72/61/87/343726187.db2.gz SWJZZBVDTOLFHV-INIZCTEOSA-N 0 3 283.375 2.259 20 30 CEEDHN C=CCN(CC=C)C[C@@H](O)COc1ccccc1F ZINC000068048748 343752526 /nfs/dbraw/zinc/75/25/26/343752526.db2.gz AWZSNPIBEDXIGW-CYBMUJFWSA-N 0 3 265.328 2.239 20 30 CEEDHN C=CCOc1ccc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000068487049 343766390 /nfs/dbraw/zinc/76/63/90/343766390.db2.gz GNUXNCMATSGNID-OAHLLOKOSA-N 0 3 288.391 2.418 20 30 CEEDHN CN(CC(=O)NCc1ccc(C#N)cc1F)CC(C)(C)C ZINC000602093382 346972112 /nfs/dbraw/zinc/97/21/12/346972112.db2.gz ATOUOUGWBOIQNI-UHFFFAOYSA-N 0 3 291.370 2.291 20 30 CEEDHN C[C@@H](C1CC1)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000602159168 346984932 /nfs/dbraw/zinc/98/49/32/346984932.db2.gz PTWYUTCODWFXKK-ZDUSSCGKSA-N 0 3 277.412 2.402 20 30 CEEDHN Cc1ccc2sc(CNC(=O)C(C)C#N)nc2c1 ZINC000602187915 346990677 /nfs/dbraw/zinc/99/06/77/346990677.db2.gz FANWEARZWWIJBG-SECBINFHSA-N 0 3 259.334 2.381 20 30 CEEDHN C=CCN1CCC[C@@H](C(=O)Nc2nc(C)cs2)C1 ZINC000077410014 343919859 /nfs/dbraw/zinc/91/98/59/343919859.db2.gz RTCNENUANHGPTJ-LLVKDONJSA-N 0 3 265.382 2.288 20 30 CEEDHN CCCCN(CCO)CCOc1ccccc1C#N ZINC000048554310 362283772 /nfs/dbraw/zinc/28/37/72/362283772.db2.gz SPQWCUYMXMBQAU-UHFFFAOYSA-N 0 3 262.353 2.031 20 30 CEEDHN C[C@@H](CNC(=O)C1(C#N)CCCC1)N1CCC[C@H](C)C1 ZINC000049094817 362337489 /nfs/dbraw/zinc/33/74/89/362337489.db2.gz BRMSQNHPUOYBMJ-KBPBESRZSA-N 0 3 277.412 2.307 20 30 CEEDHN Cc1nnc(N2C[C@@H](N3CCCC3)C[C@@H]2C)c(C#N)c1C ZINC000286400408 282326659 /nfs/dbraw/zinc/32/66/59/282326659.db2.gz PNVOUONUZQFORM-FZMZJTMJSA-N 0 3 285.395 2.028 20 30 CEEDHN CNCc1cccc(NC(=O)C2(C#N)CC3(CC3)C2)c1 ZINC000602424989 347027502 /nfs/dbraw/zinc/02/75/02/347027502.db2.gz OAZMEYNQHGYPMM-UHFFFAOYSA-N 0 3 269.348 2.428 20 30 CEEDHN C=CCCC[C@H](C)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000091599454 344168056 /nfs/dbraw/zinc/16/80/56/344168056.db2.gz WTXXKKHAIQOXTK-ZDUSSCGKSA-N 0 3 288.457 2.087 20 30 CEEDHN N#Cc1cc(F)ccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000089602681 344126007 /nfs/dbraw/zinc/12/60/07/344126007.db2.gz XEEOIRJXZWFDDG-OAHLLOKOSA-N 0 3 289.354 2.363 20 30 CEEDHN CC(C)(C#N)CCN1CCC[C@H](N2CCCC2=O)C1 ZINC000119649422 344296652 /nfs/dbraw/zinc/29/66/52/344296652.db2.gz VEQOFCMQRRAVRN-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN N#C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000108836729 344266330 /nfs/dbraw/zinc/26/63/30/344266330.db2.gz IIAIGTVKMWPEMJ-SJORKVTESA-N 0 3 297.402 2.317 20 30 CEEDHN C[C@H](CCC#N)CN(C)CC(=O)NCc1cccs1 ZINC000602467686 347045227 /nfs/dbraw/zinc/04/52/27/347045227.db2.gz HYTCJGQSTBTKBE-GFCCVEGCSA-N 0 3 279.409 2.236 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)COC(C)C)C(C)C ZINC000138284378 344389455 /nfs/dbraw/zinc/38/94/55/344389455.db2.gz SJCZBNKLPPDRSB-HNNXBMFYSA-N 0 3 282.428 2.226 20 30 CEEDHN C[C@H](NC(=O)NC[C@@H]1CCCN1C)c1ccc(C#N)cc1 ZINC000139808085 344395898 /nfs/dbraw/zinc/39/58/98/344395898.db2.gz JZSSMDYDUOYWSF-WFASDCNBSA-N 0 3 286.379 2.013 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160661480 344460711 /nfs/dbraw/zinc/46/07/11/344460711.db2.gz BOKCCNNJLDKCGK-AWEZNQCLSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CCN(CC1CCCCC1)C(=O)CNC1CC1 ZINC000236655192 344596975 /nfs/dbraw/zinc/59/69/75/344596975.db2.gz AZTSLYXAQCXBJV-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN CC(C)CC[C@H](N)C(=O)NCc1ccc(CC#N)cc1 ZINC000602515103 347063526 /nfs/dbraw/zinc/06/35/26/347063526.db2.gz UGPRBNPCCJLRIC-HNNXBMFYSA-N 0 3 273.380 2.132 20 30 CEEDHN N#CC1CCC(NCc2nccn2C(F)F)CC1 ZINC000602528072 347067908 /nfs/dbraw/zinc/06/79/08/347067908.db2.gz MNUJPHXURIIGJK-UHFFFAOYSA-N 0 3 254.284 2.450 20 30 CEEDHN N#Cc1cc(N[C@H]2CCCN(Cc3ccccc3)C2)ncn1 ZINC000309800794 344729664 /nfs/dbraw/zinc/72/96/64/344729664.db2.gz JUPSANJLZKLOMT-HNNXBMFYSA-N 0 3 293.374 2.425 20 30 CEEDHN C=CC[C@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289672424 344682508 /nfs/dbraw/zinc/68/25/08/344682508.db2.gz ZDJHOFDIOTXYAX-YUTCNCBUSA-N 0 3 273.332 2.372 20 30 CEEDHN C#CCCCN(Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000292326206 344686933 /nfs/dbraw/zinc/68/69/33/344686933.db2.gz WDCDKMPTNCMFFY-UHFFFAOYSA-N 0 3 274.339 2.302 20 30 CEEDHN CN(c1cncc(C#N)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000401332693 530037614 /nfs/dbraw/zinc/03/76/14/530037614.db2.gz NYYOFWFHUCMXOA-MRXNPFEDSA-N 0 3 293.374 2.059 20 30 CEEDHN Cn1nc(C(=O)OC(C)(C)C)cc1CNCCCCC#N ZINC000602541190 347070728 /nfs/dbraw/zinc/07/07/28/347070728.db2.gz NTTQHKGSMAJYAL-UHFFFAOYSA-N 0 3 292.383 2.159 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)NCC(C)(C)CCC#N ZINC000350490236 344788748 /nfs/dbraw/zinc/78/87/48/344788748.db2.gz ZHTWDFMFOYUXEY-CQSZACIVSA-N 0 3 294.443 2.490 20 30 CEEDHN CCc1cnccc1[C@@H](C)NCCC(=O)N(C)CCC#N ZINC000361119993 344808650 /nfs/dbraw/zinc/80/86/50/344808650.db2.gz OWEAPUIVCTWCBK-CYBMUJFWSA-N 0 3 288.395 2.057 20 30 CEEDHN Fc1ccc(C#CCN[C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000364781772 344812171 /nfs/dbraw/zinc/81/21/71/344812171.db2.gz HHZWXPIXPRMUIQ-CVEARBPZSA-N 0 3 259.324 2.334 20 30 CEEDHN C[C@H](CC#N)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390870747 344839261 /nfs/dbraw/zinc/83/92/61/344839261.db2.gz QNCLLUYJDZFGME-WBVHZDCISA-N 0 3 287.407 2.169 20 30 CEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccn(C)c1 ZINC000602574120 347084177 /nfs/dbraw/zinc/08/41/77/347084177.db2.gz XENGYQRCWBPFQG-ZDUSSCGKSA-N 0 3 261.369 2.214 20 30 CEEDHN Cc1cncc(CCNCc2ccc(C#N)c(F)c2)n1 ZINC000404148965 344878652 /nfs/dbraw/zinc/87/86/52/344878652.db2.gz LCTHOSQGSSGKPN-UHFFFAOYSA-N 0 3 270.311 2.128 20 30 CEEDHN CN(CCCSCC#N)Cc1cccc(O)c1 ZINC000531382259 344931041 /nfs/dbraw/zinc/93/10/41/344931041.db2.gz LFMKWHLRKSBGPF-UHFFFAOYSA-N 0 3 250.367 2.471 20 30 CEEDHN N#CCc1cccc2c1CCN(C(=O)C1(N)CCCCC1)C2 ZINC000602576787 347085553 /nfs/dbraw/zinc/08/55/53/347085553.db2.gz PJIUOIMXEQVIAD-UHFFFAOYSA-N 0 3 297.402 2.299 20 30 CEEDHN CO[C@H](CN1CCC(C#N)(c2ccccn2)CC1)C1CC1 ZINC000563023533 344940021 /nfs/dbraw/zinc/94/00/21/344940021.db2.gz GHRMHEHUQWOZRB-OAHLLOKOSA-N 0 3 285.391 2.364 20 30 CEEDHN N#Cc1cc(CN2CCC3(CCOCC3)CC2)ccn1 ZINC000585755707 345013924 /nfs/dbraw/zinc/01/39/24/345013924.db2.gz AUHAYCORYYGMJJ-UHFFFAOYSA-N 0 3 271.364 2.346 20 30 CEEDHN CC(C#N)C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000587820885 345031013 /nfs/dbraw/zinc/03/10/13/345031013.db2.gz GAODWKSOSDMUER-DMRZNYOFSA-N 0 3 284.359 2.177 20 30 CEEDHN C[C@H](C#N)CN[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000054180503 362518398 /nfs/dbraw/zinc/51/83/98/362518398.db2.gz GMJLSUSSWOBMBL-GDBMZVCRSA-N 0 3 257.381 2.400 20 30 CEEDHN C[C@@H](CNC(=O)c1cc(C#N)cs1)N1CCC(C)CC1 ZINC000084183253 178817716 /nfs/dbraw/zinc/81/77/16/178817716.db2.gz RMIHYNNAPMEKMT-LBPRGKRZSA-N 0 3 291.420 2.470 20 30 CEEDHN N#Cc1cccc(C(=O)N2CCCN(C3CCCC3)CC2)n1 ZINC000589427453 345080017 /nfs/dbraw/zinc/08/00/17/345080017.db2.gz OPVYXFFCXBQLKV-UHFFFAOYSA-N 0 3 298.390 2.044 20 30 CEEDHN Cc1nsc(N[C@@H]2CCN(CC3CC3)C2)c1C#N ZINC000588817949 345056729 /nfs/dbraw/zinc/05/67/29/345056729.db2.gz DWSXTRHITXDILI-LLVKDONJSA-N 0 3 262.382 2.219 20 30 CEEDHN COc1ccc(CN(C)C)cc1NC(=O)CC1(C#N)CC1 ZINC000590153128 345117902 /nfs/dbraw/zinc/11/79/02/345117902.db2.gz ULGOWDCSWKJBAE-UHFFFAOYSA-N 0 3 287.363 2.389 20 30 CEEDHN CCCC(=O)NC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000590154158 345118078 /nfs/dbraw/zinc/11/80/78/345118078.db2.gz KCNVRRWUVSQCRA-GXTWGEPZSA-N 0 3 263.385 2.059 20 30 CEEDHN CCCN(CCN1CCCCCC1)C(=O)NC[C@@H](C)C#N ZINC000589646393 345092815 /nfs/dbraw/zinc/09/28/15/345092815.db2.gz ZIVNKMPPACUPMS-HNNXBMFYSA-N 0 3 294.443 2.444 20 30 CEEDHN C[C@@H](CNC(=O)CC1(C#N)CC1)N(C)Cc1ccccc1 ZINC000590238430 345122533 /nfs/dbraw/zinc/12/25/33/345122533.db2.gz DHXMHAYZSPYQRK-AWEZNQCLSA-N 0 3 285.391 2.317 20 30 CEEDHN C[C@H](CNC(=O)CC1(C#N)CC1)N(C)Cc1ccccc1 ZINC000590238433 345122546 /nfs/dbraw/zinc/12/25/46/345122546.db2.gz DHXMHAYZSPYQRK-CQSZACIVSA-N 0 3 285.391 2.317 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2ccnc(C#N)c2)C12CCC2 ZINC000590756281 345174913 /nfs/dbraw/zinc/17/49/13/345174913.db2.gz DXRRCOUTMSAQQW-HUUCEWRRSA-N 0 3 271.364 2.391 20 30 CEEDHN CO[C@@H]1C[C@@H](N(C)Cc2ccnc(C#N)c2)C12CCC2 ZINC000590761982 345176547 /nfs/dbraw/zinc/17/65/47/345176547.db2.gz TVKCHYIVSYAJEX-HUUCEWRRSA-N 0 3 271.364 2.343 20 30 CEEDHN C[C@H]1[C@H](NC(=O)CC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000590392158 345132706 /nfs/dbraw/zinc/13/27/06/345132706.db2.gz BMPKIRWTRYFDIE-GOEBONIOSA-N 0 3 297.402 2.459 20 30 CEEDHN C[C@H](NC(=O)N1CCN[C@@H](C)[C@H]1C)c1cccc(C#N)c1 ZINC000591354224 345243328 /nfs/dbraw/zinc/24/33/28/345243328.db2.gz XKUKTDVASZVAOC-RWMBFGLXSA-N 0 3 286.379 2.011 20 30 CEEDHN N#CCC1(CNCCC(=O)Nc2ccccc2F)CC1 ZINC000591764343 345278536 /nfs/dbraw/zinc/27/85/36/345278536.db2.gz GBBIFESZLUVQJV-UHFFFAOYSA-N 0 3 275.327 2.438 20 30 CEEDHN N#Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCN(CC2CC2)C1 ZINC000591819912 345284402 /nfs/dbraw/zinc/28/44/02/345284402.db2.gz VTPNGZBTDQKUIW-CYBMUJFWSA-N 0 3 286.335 2.363 20 30 CEEDHN N#Cc1c2c(cnc1N[C@H]1CCN(CC3CC3)C1)CCC2 ZINC000591819914 345284441 /nfs/dbraw/zinc/28/44/41/345284441.db2.gz VULAWONRAATEJX-AWEZNQCLSA-N 0 3 282.391 2.338 20 30 CEEDHN CN1C[C@@H](CNc2nccnc2C#N)[C@H](c2ccccc2)C1 ZINC000591985853 345310278 /nfs/dbraw/zinc/31/02/78/345310278.db2.gz OWHZVLIKYLAEHA-CABCVRRESA-N 0 3 293.374 2.106 20 30 CEEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)CO1 ZINC000592367096 345346569 /nfs/dbraw/zinc/34/65/69/345346569.db2.gz NWPSLECMHJAAJX-JOYOIKCWSA-N 0 3 250.729 2.479 20 30 CEEDHN CC(C)(C)N1CC[C@H](N[C@@H]2CCC[C@H](C#N)C2)C1=O ZINC000592391622 345349122 /nfs/dbraw/zinc/34/91/22/345349122.db2.gz MQINZMVKMJVBLI-XQQFMLRXSA-N 0 3 263.385 2.058 20 30 CEEDHN C[C@@H]1CC[C@H](C)CN1Cc1cnc2c(C#N)cnn2c1 ZINC000592499674 345361034 /nfs/dbraw/zinc/36/10/34/345361034.db2.gz ABXPQXVXSVCASD-NWDGAFQWSA-N 0 3 269.352 2.221 20 30 CEEDHN CC[C@H]1CC[C@@H](C)N1Cc1cnc2c(C#N)cnn2c1 ZINC000592512538 345363405 /nfs/dbraw/zinc/36/34/05/345363405.db2.gz JPQFFCPXNOQQCY-RISCZKNCSA-N 0 3 269.352 2.364 20 30 CEEDHN C[C@H](CCc1cccc(F)c1)N1CC[C@](O)(CC#N)C1 ZINC000592521709 345364547 /nfs/dbraw/zinc/36/45/47/345364547.db2.gz BGGAQUFBKXXELS-CZUORRHYSA-N 0 3 276.355 2.497 20 30 CEEDHN C[C@H](CCc1cccc(F)c1)N1CC[C@@](O)(CC#N)C1 ZINC000592521708 345364619 /nfs/dbraw/zinc/36/46/19/345364619.db2.gz BGGAQUFBKXXELS-CJNGLKHVSA-N 0 3 276.355 2.497 20 30 CEEDHN COc1ccc([C@H](C)CN2CC[C@](O)(CC#N)C2)cc1 ZINC000592522482 345365377 /nfs/dbraw/zinc/36/53/77/345365377.db2.gz NPVUVRBLOAOWML-CZUORRHYSA-N 0 3 274.364 2.149 20 30 CEEDHN N#CC[C@@]1(O)CCN(Cc2cccc3cnccc32)C1 ZINC000592521962 345365430 /nfs/dbraw/zinc/36/54/30/345365430.db2.gz FPFUGJGALOUPMG-MRXNPFEDSA-N 0 3 267.332 2.085 20 30 CEEDHN CC(C)[C@@H](CO)[C@@H](NCc1ccncc1C#N)C(C)C ZINC000592124326 345326004 /nfs/dbraw/zinc/32/60/04/345326004.db2.gz CDGLRYAEYRVMHM-CVEARBPZSA-N 0 3 275.396 2.332 20 30 CEEDHN C[C@@H](CCC#N)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000593022603 345425255 /nfs/dbraw/zinc/42/52/55/345425255.db2.gz ICCKMKGDLJXFQA-STQMWFEESA-N 0 3 273.384 2.485 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC(Cn2cnnc2)CC1 ZINC000593076979 345434824 /nfs/dbraw/zinc/43/48/24/345434824.db2.gz HDZQGRNGBJGSPW-UHFFFAOYSA-N 0 3 295.390 2.370 20 30 CEEDHN C[C@H](CNC(=O)/C=C/c1ccccc1C#N)N(C)C1CC1 ZINC000057713583 362593648 /nfs/dbraw/zinc/59/36/48/362593648.db2.gz SNDPJBFLLYFORD-UTSBKAFOSA-N 0 3 283.375 2.170 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCC1(C#N)CCCC1 ZINC000593779794 345536836 /nfs/dbraw/zinc/53/68/36/345536836.db2.gz RBZVEIKNTAYAMT-BETUJISGSA-N 0 3 263.385 2.059 20 30 CEEDHN CN1CCN(Cc2cccc(F)c2C#N)CC1(C)C ZINC000593986299 345560944 /nfs/dbraw/zinc/56/09/44/345560944.db2.gz WECKCGREFUGJDM-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN CC1(C)CC[C@H]1NCC(=O)NC1(C#N)CCCCC1 ZINC000594006016 345564805 /nfs/dbraw/zinc/56/48/05/345564805.db2.gz OVTHZCDFIXYBAF-GFCCVEGCSA-N 0 3 263.385 2.107 20 30 CEEDHN CCC(C)(C)N1CCN(Cc2ccncc2C#N)CC1 ZINC000594021560 345568574 /nfs/dbraw/zinc/56/85/74/345568574.db2.gz VLARCBSTLBSXKV-UHFFFAOYSA-N 0 3 272.396 2.259 20 30 CEEDHN CC[C@H](NCc1ccnc(C#N)c1)[C@@H]1CCCCO1 ZINC000594040892 345571710 /nfs/dbraw/zinc/57/17/10/345571710.db2.gz HIOLYGKROLRFDD-GJZGRUSLSA-N 0 3 259.353 2.391 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)CCCCC#N ZINC000594234148 345601533 /nfs/dbraw/zinc/60/15/33/345601533.db2.gz IDPXZJFLBWADDH-CYBMUJFWSA-N 0 3 251.374 2.061 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000594278874 345607622 /nfs/dbraw/zinc/60/76/22/345607622.db2.gz UFOOYLQXEGMAGS-KBPBESRZSA-N 0 3 299.418 2.336 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC000594371410 345618310 /nfs/dbraw/zinc/61/83/10/345618310.db2.gz IEPAQPCOCHDWAV-ZIAGYGMSSA-N 0 3 285.391 2.419 20 30 CEEDHN CCC(C#N)C(=O)NC[C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000594395224 345620883 /nfs/dbraw/zinc/62/08/83/345620883.db2.gz WMSNKBDMPXNKIE-VXGBXAGGSA-N 0 3 282.384 2.266 20 30 CEEDHN CCC(C#N)C(=O)NC[C@H](C(=O)OC(C)(C)C)C(C)C ZINC000594395219 345620992 /nfs/dbraw/zinc/62/09/92/345620992.db2.gz WMSNKBDMPXNKIE-NEPJUHHUSA-N 0 3 282.384 2.266 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc2c1CCN2 ZINC000594424423 345625018 /nfs/dbraw/zinc/62/50/18/345625018.db2.gz DISKRGRGFIRXIA-GFCCVEGCSA-N 0 3 272.352 2.004 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H](N)CCCCC#N ZINC000594425676 345625717 /nfs/dbraw/zinc/62/57/17/345625717.db2.gz LWACDNMUVJJILV-JHJVBQTASA-N 0 3 251.374 2.187 20 30 CEEDHN COc1cccc([C@H](C)NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594426038 345626036 /nfs/dbraw/zinc/62/60/36/345626036.db2.gz CDXAOHSJEFUULJ-SWLSCSKDSA-N 0 3 289.379 2.284 20 30 CEEDHN Cc1ccc(F)cc1NC(=O)[C@H](N)CCCCC#N ZINC000594426665 345626770 /nfs/dbraw/zinc/62/67/70/345626770.db2.gz QNVWALYJMJIUFH-GFCCVEGCSA-N 0 3 263.316 2.484 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC1CCCCCC1 ZINC000594427998 345627519 /nfs/dbraw/zinc/62/75/19/345627519.db2.gz YUXLZLXZEJPQCZ-CYBMUJFWSA-N 0 3 251.374 2.237 20 30 CEEDHN CC(C)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594429112 345628132 /nfs/dbraw/zinc/62/81/32/345628132.db2.gz QVJWLTGPSMGQMX-STQMWFEESA-N 0 3 251.374 2.045 20 30 CEEDHN C[C@@H]1CCCC[C@H]1CNC(=O)[C@@H](N)CCCCC#N ZINC000594430680 345628432 /nfs/dbraw/zinc/62/84/32/345628432.db2.gz ARKJFVAQCGRBBW-RDBSUJKOSA-N 0 3 265.401 2.340 20 30 CEEDHN CN(CC1CCCC1)C(=O)[C@H](N)CCCCC#N ZINC000594431432 345628473 /nfs/dbraw/zinc/62/84/73/345628473.db2.gz MJWNANFXUHNDQX-CYBMUJFWSA-N 0 3 251.374 2.046 20 30 CEEDHN C[C@@H]1CCCC[C@H]1OCCNC(=O)[C@H](N)CCCCC#N ZINC000594430171 345628507 /nfs/dbraw/zinc/62/85/07/345628507.db2.gz ZRJQZWZEHMGYQY-RBSFLKMASA-N 0 3 295.427 2.109 20 30 CEEDHN N#Cc1cnc(N[C@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000132824175 232212441 /nfs/dbraw/zinc/21/24/41/232212441.db2.gz BSGGMAXSQIAJLC-HNNXBMFYSA-N 0 3 293.374 2.425 20 30 CEEDHN CC(C)C1CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594434232 345629179 /nfs/dbraw/zinc/62/91/79/345629179.db2.gz YAEZZQIDPDBXMR-AWEZNQCLSA-N 0 3 265.401 2.292 20 30 CEEDHN CC(C)n1cc([C@@H](C)NC(=O)[C@@H](N)CCCCC#N)cn1 ZINC000594434313 345629305 /nfs/dbraw/zinc/62/93/05/345629305.db2.gz NGUWKLYPZNPVNW-OCCSQVGLSA-N 0 3 291.399 2.052 20 30 CEEDHN CN1CCc2ccc(NC(=O)[C@@H](N)CCCCC#N)cc21 ZINC000594436728 345629865 /nfs/dbraw/zinc/62/98/65/345629865.db2.gz QHIKBTXLRXJBAM-AWEZNQCLSA-N 0 3 286.379 2.029 20 30 CEEDHN CC1(C)CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594435083 345630051 /nfs/dbraw/zinc/63/00/51/345630051.db2.gz AKCRWNVVIOGHMV-GFCCVEGCSA-N 0 3 251.374 2.046 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCCc1cccc(F)c1 ZINC000594434995 345630065 /nfs/dbraw/zinc/63/00/65/345630065.db2.gz YHOQMSTVVNUHRQ-OAHLLOKOSA-N 0 3 291.370 2.286 20 30 CEEDHN C[C@H]1CCN(C(=O)[C@H](N)CCCCC#N)CC1(C)C ZINC000594442748 345632027 /nfs/dbraw/zinc/63/20/27/345632027.db2.gz JADBUFQILPHHBZ-QWHCGFSZSA-N 0 3 265.401 2.292 20 30 CEEDHN Cc1nc2cc(NC(=O)[C@H](N)CCCCC#N)ccc2o1 ZINC000594445205 345632475 /nfs/dbraw/zinc/63/24/75/345632475.db2.gz BRVVGSWGLBJREK-GFCCVEGCSA-N 0 3 286.335 2.486 20 30 CEEDHN CC(C)CC1(CNC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594445461 345632760 /nfs/dbraw/zinc/63/27/60/345632760.db2.gz GEVVUVCSXGELBA-ZDUSSCGKSA-N 0 3 265.401 2.340 20 30 CEEDHN CC[C@@H](C)CN(CC)C(=O)[C@@H](N)CCCCC#N ZINC000594445651 345632779 /nfs/dbraw/zinc/63/27/79/345632779.db2.gz JNLGNXZQBOBLJT-OLZOCXBDSA-N 0 3 253.390 2.292 20 30 CEEDHN Cc1cnc([C@H](C)CNC(=O)[C@@H](N)CCCCC#N)s1 ZINC000594447553 345632799 /nfs/dbraw/zinc/63/27/99/345632799.db2.gz YOXHDOXTXBGWEL-PWSUYJOCSA-N 0 3 294.424 2.083 20 30 CEEDHN CS[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594447700 345633221 /nfs/dbraw/zinc/63/32/21/345633221.db2.gz VLPBFIJIDHKTBB-UPJWGTAASA-N 0 3 283.441 2.188 20 30 CEEDHN CCSCC[C@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594448071 345633591 /nfs/dbraw/zinc/63/35/91/345633591.db2.gz ZTXUUMBYLWORBB-NWDGAFQWSA-N 0 3 271.430 2.046 20 30 CEEDHN C[C@@H]1CC2(CCC2)CN1C(=O)[C@H](N)CCCCC#N ZINC000594450337 345633730 /nfs/dbraw/zinc/63/37/30/345633730.db2.gz YTKAGTQGHUJCKL-CHWSQXEVSA-N 0 3 263.385 2.189 20 30 CEEDHN N#Cc1ccncc1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594603923 345658266 /nfs/dbraw/zinc/65/82/66/345658266.db2.gz WLPBXXYVNKOQCG-UKRRQHHQSA-N 0 3 256.353 2.382 20 30 CEEDHN Cc1nc(N[C@@H]2CCCN3CCCC[C@H]23)ccc1C#N ZINC000594604402 345658324 /nfs/dbraw/zinc/65/83/24/345658324.db2.gz YYCJFZBTKRJDDR-HUUCEWRRSA-N 0 3 270.380 2.112 20 30 CEEDHN CC[C@H](NCc1cnc2c(C#N)cnn2c1)[C@H]1CCCCO1 ZINC000594611052 345661191 /nfs/dbraw/zinc/66/11/91/345661191.db2.gz LGGDAOQNNMZUDY-LSDHHAIUSA-N 0 3 299.378 2.038 20 30 CEEDHN CC(C)(C#N)c1ccc(CN[C@@]2(CCO)CCOC2)cc1 ZINC000594503996 345639643 /nfs/dbraw/zinc/63/96/43/345639643.db2.gz LTGBGUZVVKRCSF-KRWDZBQOSA-N 0 3 288.391 2.119 20 30 CEEDHN CO[C@H](CN[C@H](C)c1cccc(C#N)c1)[C@H]1CCOC1 ZINC000594711099 345676555 /nfs/dbraw/zinc/67/65/55/345676555.db2.gz NFOACHOOZZPDSQ-UHOFOFEASA-N 0 3 274.364 2.260 20 30 CEEDHN Cc1cc(CN)cc(NC(=O)N2CC[C@](C)(C#N)C2)c1 ZINC000595236815 345746857 /nfs/dbraw/zinc/74/68/57/345746857.db2.gz OTEKTKYOKHVNJJ-OAHLLOKOSA-N 0 3 272.352 2.221 20 30 CEEDHN CC[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)CCCC#N ZINC000595251774 345748316 /nfs/dbraw/zinc/74/83/16/345748316.db2.gz XAFXHGJJNYLVPB-LSDHHAIUSA-N 0 3 291.370 2.284 20 30 CEEDHN C=CCCSCCNC(=O)[C@@H](CN)c1ccccc1 ZINC000595257146 345749702 /nfs/dbraw/zinc/74/97/02/345749702.db2.gz RGGNZYNZHFBYJV-AWEZNQCLSA-N 0 3 278.421 2.154 20 30 CEEDHN CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](N)CCCCC#N ZINC000595260287 345750773 /nfs/dbraw/zinc/75/07/73/345750773.db2.gz ZDTAGUDUBOXQLD-GSPSYOTPSA-N 0 3 263.385 2.187 20 30 CEEDHN CN(C[C@H]1CCc2ccccc21)C(=O)[C@@H](N)CCCC#N ZINC000595260071 345750902 /nfs/dbraw/zinc/75/09/02/345750902.db2.gz TWLWTXHTWQSDGH-ZBFHGGJFSA-N 0 3 285.391 2.196 20 30 CEEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H](COC)OC ZINC000595290515 345755106 /nfs/dbraw/zinc/75/51/06/345755106.db2.gz LILYYNOLOPPFIV-MRXNPFEDSA-N 0 3 276.380 2.432 20 30 CEEDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000594915675 345700799 /nfs/dbraw/zinc/70/07/99/345700799.db2.gz VXDAFKDJNCKORG-UOVKNHIHSA-N 0 3 272.348 2.406 20 30 CEEDHN C[C@@H](Cn1cncn1)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594919317 345702067 /nfs/dbraw/zinc/70/20/67/345702067.db2.gz XJAIBGDDICUFLW-ZDUSSCGKSA-N 0 3 281.363 2.012 20 30 CEEDHN C=CCSCCNCc1cc(C(F)(F)F)nn1C ZINC000594922910 345703093 /nfs/dbraw/zinc/70/30/93/345703093.db2.gz VRXYTCZTZWEZKW-UHFFFAOYSA-N 0 3 279.331 2.448 20 30 CEEDHN N#Cc1ccc(OCCNCc2ccnn2CC2CC2)cc1 ZINC000594929860 345706036 /nfs/dbraw/zinc/70/60/36/345706036.db2.gz OUVBUASQQPXJDM-UHFFFAOYSA-N 0 3 296.374 2.333 20 30 CEEDHN CC[C@@H]1C[C@H](NCc2ccc(C#N)c(OC)c2)CO1 ZINC000594940423 345710849 /nfs/dbraw/zinc/71/08/49/345710849.db2.gz CCEMLHQMTSNOFQ-UONOGXRCSA-N 0 3 260.337 2.224 20 30 CEEDHN CC1(C)CN(CCc2ccc(C#N)cc2)CC[C@H]1O ZINC000595451969 345786020 /nfs/dbraw/zinc/78/60/20/345786020.db2.gz XEOPRWLGKZIJDS-OAHLLOKOSA-N 0 3 258.365 2.194 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)N2CCC[C@H](CC#N)C2)C1 ZINC000595454461 345786867 /nfs/dbraw/zinc/78/68/67/345786867.db2.gz LGOLGZXDESHMHN-LSDHHAIUSA-N 0 3 292.427 2.054 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000595728180 345861055 /nfs/dbraw/zinc/86/10/55/345861055.db2.gz LAKWKKLWEQTNPX-WQVCFCJDSA-N 0 3 283.375 2.220 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1 ZINC000602581899 347087701 /nfs/dbraw/zinc/08/77/01/347087701.db2.gz UBDVEEHMGFUFJL-KFWWJZLASA-N 0 3 269.348 2.000 20 30 CEEDHN C[C@@H](NCc1cccc(C#N)n1)[C@H](O)Cc1ccccc1 ZINC000602581691 347087750 /nfs/dbraw/zinc/08/77/50/347087750.db2.gz JYTKHCIEJXNSTO-CXAGYDPISA-N 0 3 281.359 2.035 20 30 CEEDHN C[C@@H]1CCCN1C(=O)CCN1CCC[C@@H](CC#N)C1 ZINC000595615121 345828212 /nfs/dbraw/zinc/82/82/12/345828212.db2.gz PADUVNWEKDZDSJ-KGLIPLIRSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@H](CCN1CC[C@@](C)(C#N)C1)N1CC[C@](C)(C#N)C1 ZINC000595841990 345895577 /nfs/dbraw/zinc/89/55/77/345895577.db2.gz XMMFYELABDVAFG-OWCLPIDISA-N 0 3 274.412 2.236 20 30 CEEDHN CO[C@@H](C)CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000595769842 345871716 /nfs/dbraw/zinc/87/17/16/345871716.db2.gz UFVDLMVDOXIYHT-ZDUSSCGKSA-N 0 3 274.364 2.188 20 30 CEEDHN Cn1cc(C[C@@H]2CCC[C@@H]2NCc2ccc(C#N)cn2)cn1 ZINC000595768966 345871890 /nfs/dbraw/zinc/87/18/90/345871890.db2.gz HUWLQILLIXOSHM-RDJZCZTQSA-N 0 3 295.390 2.188 20 30 CEEDHN N#CCc1ccc(CN[C@@H]2C[C@H](O)C23CCC3)cc1 ZINC000595779379 345874305 /nfs/dbraw/zinc/87/43/05/345874305.db2.gz DKOCOWJWYJDLNR-CABCVRRESA-N 0 3 256.349 2.146 20 30 CEEDHN Cc1cc(C#N)ccc1CN[C@@H]1C[C@H](O)C12CCC2 ZINC000595784346 345875890 /nfs/dbraw/zinc/87/58/90/345875890.db2.gz VAUQUJMZKFSWGD-CABCVRRESA-N 0 3 256.349 2.260 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N(CC(=O)NC2(C#N)CCC2)C1 ZINC000595784604 345875997 /nfs/dbraw/zinc/87/59/97/345875997.db2.gz SRACEVLUKXBYGY-CHWSQXEVSA-N 0 3 263.385 2.059 20 30 CEEDHN N#Cc1cccc(CN(CCN2CCOCC2)CC2CC2)c1 ZINC000595807512 345880332 /nfs/dbraw/zinc/88/03/32/345880332.db2.gz JUHMSFVOVVQCNB-UHFFFAOYSA-N 0 3 299.418 2.102 20 30 CEEDHN N#CCC[C@H](C#N)CNC[C@@H]1CCN1Cc1ccccc1 ZINC000596052156 345928160 /nfs/dbraw/zinc/92/81/60/345928160.db2.gz UFQUFDAWPIOIMX-SJORKVTESA-N 0 3 282.391 2.294 20 30 CEEDHN COc1cccc([C@H](CNc2c(C#N)cnn2C)N(C)C)c1 ZINC000596056101 345929499 /nfs/dbraw/zinc/92/94/99/345929499.db2.gz XZYUDMVFESVHEU-HNNXBMFYSA-N 0 3 299.378 2.015 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CCCC[C@@H]1CC1CCC1 ZINC000595868036 345901378 /nfs/dbraw/zinc/90/13/78/345901378.db2.gz QUIPQAOSMNESKU-CQSZACIVSA-N 0 3 293.411 2.043 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874839957 649848844 /nfs/dbraw/zinc/84/88/44/649848844.db2.gz YLQIROBTNHKTIX-HUUCEWRRSA-N 0 3 262.397 2.450 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000595936753 345914916 /nfs/dbraw/zinc/91/49/16/345914916.db2.gz CWJJSYUIZJSAMH-ZIAGYGMSSA-N 0 3 263.385 2.212 20 30 CEEDHN C=CCCC(C)(C)NC(=O)[C@H](N)CCCCC#N ZINC000595981876 345920713 /nfs/dbraw/zinc/92/07/13/345920713.db2.gz GHVXLYKPASDMSC-GFCCVEGCSA-N 0 3 251.374 2.259 20 30 CEEDHN C[C@@H]1CN(c2cccc(C(F)F)c2C#N)CCN1 ZINC000596015692 345923607 /nfs/dbraw/zinc/92/36/07/345923607.db2.gz GNTVHMSPEYLSDH-SECBINFHSA-N 0 3 251.280 2.294 20 30 CEEDHN CNC(=O)CC1(CNC[C@H](C#N)CCC#N)CCCCC1 ZINC000596064333 345931062 /nfs/dbraw/zinc/93/10/62/345931062.db2.gz GFHOKKLGUWAIRN-AWEZNQCLSA-N 0 3 290.411 2.106 20 30 CEEDHN CCN1CCN(c2cc(C)c([N+](=O)[O-])c(C#N)c2)[C@H](C)C1 ZINC000596231646 345975716 /nfs/dbraw/zinc/97/57/16/345975716.db2.gz REKAORZUCVBMQI-GFCCVEGCSA-N 0 3 288.351 2.305 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000596480584 346034370 /nfs/dbraw/zinc/03/43/70/346034370.db2.gz SKACMLFHDPZSAH-GJZGRUSLSA-N 0 3 292.427 2.196 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)Nc2ccc(C#N)cc2)CCN1 ZINC000596501196 346040327 /nfs/dbraw/zinc/04/03/27/346040327.db2.gz LAYIXJJVTFINPT-CQSZACIVSA-N 0 3 272.352 2.020 20 30 CEEDHN CO[C@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597009106 346114365 /nfs/dbraw/zinc/11/43/65/346114365.db2.gz PIVZHKAXECBUGH-HNNXBMFYSA-N 0 3 256.349 2.462 20 30 CEEDHN CC(C)(O)C1CN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597145875 346135091 /nfs/dbraw/zinc/13/50/91/346135091.db2.gz JPNSLEIFMUZMKP-UHFFFAOYSA-N 0 3 270.376 2.444 20 30 CEEDHN N#CCc1ccc(CN[C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597154591 346136671 /nfs/dbraw/zinc/13/66/71/346136671.db2.gz PXCIZZQXPQJJDZ-CVEARBPZSA-N 0 3 256.349 2.410 20 30 CEEDHN CC(C)CN(C(=O)[C@H](C)CC#N)C1CCN(C)CC1 ZINC000597226832 346154554 /nfs/dbraw/zinc/15/45/54/346154554.db2.gz WPWYFXPAHWRNJJ-CYBMUJFWSA-N 0 3 265.401 2.115 20 30 CEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000597604393 346206659 /nfs/dbraw/zinc/20/66/59/346206659.db2.gz MPEBPFRLHSMXNI-RQJABVFESA-N 0 3 264.369 2.078 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1cccs1)C1(CO)CCC1 ZINC000597852710 346238035 /nfs/dbraw/zinc/23/80/35/346238035.db2.gz OBQOWGPHMNDDAI-CMPLNLGQSA-N 0 3 278.377 2.228 20 30 CEEDHN CCN(C(=O)CCCCCC#N)[C@H]1CCN(C)C1 ZINC000597943959 346255343 /nfs/dbraw/zinc/25/53/43/346255343.db2.gz BFKXYBNFTUSOFN-ZDUSSCGKSA-N 0 3 251.374 2.013 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](OC1CCCC1)C(F)(F)F ZINC000597977541 346262384 /nfs/dbraw/zinc/26/23/84/346262384.db2.gz JQNCQOKDEVFUNK-WCBMZHEXSA-N 0 3 278.274 2.152 20 30 CEEDHN C[C@H](C#N)N(C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)C1CC1 ZINC000598128901 346293842 /nfs/dbraw/zinc/29/38/42/346293842.db2.gz DEGISHAQLKFYBI-XQHKEYJVSA-N 0 3 263.385 2.151 20 30 CEEDHN C[C@]12COC[C@@H]1CN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000598225116 346310661 /nfs/dbraw/zinc/31/06/61/346310661.db2.gz LOTKAKNJNNAVCQ-BQFCYCMXSA-N 0 3 298.386 2.254 20 30 CEEDHN Cc1ccccc1C(F)(F)CNC(=O)C(C)C#N ZINC000598394070 346344928 /nfs/dbraw/zinc/34/49/28/346344928.db2.gz NROSOOLLGHDJAN-JTQLQIEISA-N 0 3 252.264 2.363 20 30 CEEDHN CC(C#N)C(=O)NCC(F)(F)c1ccc(F)cc1 ZINC000598393317 346344986 /nfs/dbraw/zinc/34/49/86/346344986.db2.gz FHXPAYBOJBEWAV-MRVPVSSYSA-N 0 3 256.227 2.193 20 30 CEEDHN CN(C)Cc1cccc(C(=O)N2CC[C@](C)(C#N)C2)c1 ZINC000598407531 346347728 /nfs/dbraw/zinc/34/77/28/346347728.db2.gz CSLRTGYOQFWGAD-MRXNPFEDSA-N 0 3 271.364 2.124 20 30 CEEDHN CC(C)[C@H](C(=O)N1CC[C@](C)(C#N)C1)N1CCCCC1 ZINC000598416679 346352075 /nfs/dbraw/zinc/35/20/75/346352075.db2.gz VHGGSOVZCKNOMC-GDBMZVCRSA-N 0 3 277.412 2.259 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000598575300 346376901 /nfs/dbraw/zinc/37/69/01/346376901.db2.gz IGLBPPRGJJXBBY-QWRGUYRKSA-N 0 3 258.321 2.348 20 30 CEEDHN COc1cccc(CN(C)C[C@H](O)CC(C)(C)C#N)c1 ZINC000598586189 346377937 /nfs/dbraw/zinc/37/79/37/346377937.db2.gz FCKVBJQJWUABQF-CQSZACIVSA-N 0 3 276.380 2.428 20 30 CEEDHN Cc1nn(C)cc1[C@@H]1CCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598592876 346379609 /nfs/dbraw/zinc/37/96/09/346379609.db2.gz MNTNWHDOCALGPV-ZFWWWQNUSA-N 0 3 290.411 2.166 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H]1c1ccc[nH]1 ZINC000598593521 346380233 /nfs/dbraw/zinc/38/02/33/346380233.db2.gz BUMIQODQIYBSRO-OCCSQVGLSA-N 0 3 261.369 2.452 20 30 CEEDHN CC(C)n1cc([C@@H](C)NC[C@@H](O)CC(C)(C)C#N)cn1 ZINC000598605166 346382540 /nfs/dbraw/zinc/38/25/40/346382540.db2.gz AOTRNTPAGCNFJA-OCCSQVGLSA-N 0 3 278.400 2.415 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCCc2occc2C1 ZINC000598615975 346384807 /nfs/dbraw/zinc/38/48/07/346384807.db2.gz HXZGZDFVZGXOFB-CYBMUJFWSA-N 0 3 262.353 2.329 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1Cc2c[nH]nc2CC(C)(C)C1 ZINC000598628959 346387692 /nfs/dbraw/zinc/38/76/92/346387692.db2.gz VTQKKEOAGQOKSX-ZDUSSCGKSA-N 0 3 290.411 2.095 20 30 CEEDHN Cc1cc(CNC[C@H](O)CC(C)(C)C#N)cc(C)n1 ZINC000598726219 346409735 /nfs/dbraw/zinc/40/97/35/346409735.db2.gz PRIKIAVBDFVBRR-CQSZACIVSA-N 0 3 261.369 2.089 20 30 CEEDHN COc1cc(C)ccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598726109 346409830 /nfs/dbraw/zinc/40/98/30/346409830.db2.gz RHEDXAFKPIQJIR-CQSZACIVSA-N 0 3 276.380 2.394 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@@H](C)[C@@H](CO)C1 ZINC000598648072 346393469 /nfs/dbraw/zinc/39/34/69/346393469.db2.gz REDIAKFRXWUOLC-IUODEOHRSA-N 0 3 274.364 2.017 20 30 CEEDHN COc1cc(F)cc(CNC[C@H](O)CC(C)(C)C#N)c1 ZINC000598724651 346409311 /nfs/dbraw/zinc/40/93/11/346409311.db2.gz QEPPRVHGCODVFT-CYBMUJFWSA-N 0 3 280.343 2.225 20 30 CEEDHN Cc1cc(C)c(CNC[C@H](O)CC(C)(C)C#N)cn1 ZINC000598727310 346410445 /nfs/dbraw/zinc/41/04/45/346410445.db2.gz GLKXTYOJUJENCU-CQSZACIVSA-N 0 3 261.369 2.089 20 30 CEEDHN C=CCC[C@H](CO)NCc1c(C)[nH]c(C(=O)OCC)c1C ZINC000598978599 346441139 /nfs/dbraw/zinc/44/11/39/346441139.db2.gz OLUKFNIBJOSENJ-CYBMUJFWSA-N 0 3 294.395 2.225 20 30 CEEDHN N#Cc1csc(CNC[C@H]2CCCN2CC(F)F)c1 ZINC000598986439 346441794 /nfs/dbraw/zinc/44/17/94/346441794.db2.gz ADOCXRWNNDXWSJ-LLVKDONJSA-N 0 3 285.363 2.439 20 30 CEEDHN Cc1ccc(CN2C[C@H](N3CCOCC3)C[C@H]2C)cc1C#N ZINC000599415429 346515738 /nfs/dbraw/zinc/51/57/38/346515738.db2.gz OQUKNOSQLATADZ-CRAIPNDOSA-N 0 3 299.418 2.162 20 30 CEEDHN Cc1ccc(CNC2(CO)Cc3ccccc3C2)cc1C#N ZINC000599295367 346493320 /nfs/dbraw/zinc/49/33/20/346493320.db2.gz KIBTVQNGNITAEM-UHFFFAOYSA-N 0 3 292.382 2.486 20 30 CEEDHN N#CC1(C[C@H](O)CN2CC[C@@H]2c2ccccc2)CC1 ZINC000599316646 346498252 /nfs/dbraw/zinc/49/82/52/346498252.db2.gz NQCVHMFAVOOZAR-LSDHHAIUSA-N 0 3 256.349 2.488 20 30 CEEDHN COC(=O)C[C@@H]1CCCN1Cc1ccc(C)c(C#N)c1 ZINC000599335259 346500773 /nfs/dbraw/zinc/50/07/73/346500773.db2.gz QYAQXWDRLHNBPF-HNNXBMFYSA-N 0 3 272.348 2.394 20 30 CEEDHN Cn1cc(CCCN2CCc3c(CC#N)cccc3C2)cn1 ZINC000599678042 346562240 /nfs/dbraw/zinc/56/22/40/346562240.db2.gz FVURJEZACLQUGB-UHFFFAOYSA-N 0 3 294.402 2.477 20 30 CEEDHN Cc1ccc(CN2CCC(N3CCOCC3)CC2)cc1C#N ZINC000599472294 346525780 /nfs/dbraw/zinc/52/57/80/346525780.db2.gz RFKNJCVWLCRPJL-UHFFFAOYSA-N 0 3 299.418 2.163 20 30 CEEDHN CC1(C)CCC[C@](CO)(NCc2ccnc(C#N)c2)C1 ZINC000599592888 346543352 /nfs/dbraw/zinc/54/33/52/346543352.db2.gz BRRDOCQASUQCAR-INIZCTEOSA-N 0 3 273.380 2.374 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000600538344 346651722 /nfs/dbraw/zinc/65/17/22/346651722.db2.gz WMCMBBYCMKJQME-KOLCDFICSA-N 0 3 295.745 2.334 20 30 CEEDHN CC(C)(C#N)CC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000600229484 346627680 /nfs/dbraw/zinc/62/76/80/346627680.db2.gz KTTOMJMQAUNPIY-AWEZNQCLSA-N 0 3 277.412 2.449 20 30 CEEDHN Cc1cc(CNC[C@H](O)CC2(C#N)CC2)ccc1F ZINC000600715635 346676432 /nfs/dbraw/zinc/67/64/32/346676432.db2.gz APHWPTMNWGAZSJ-CYBMUJFWSA-N 0 3 262.328 2.279 20 30 CEEDHN N#CC1(C[C@@H](O)CNCc2cc(F)ccc2F)CC1 ZINC000600720397 346677962 /nfs/dbraw/zinc/67/79/62/346677962.db2.gz GVNRDBQJURHOSP-GFCCVEGCSA-N 0 3 266.291 2.109 20 30 CEEDHN CC[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccncc1 ZINC000600726300 346679555 /nfs/dbraw/zinc/67/95/55/346679555.db2.gz SFXPCRRLFZWUCL-KGLIPLIRSA-N 0 3 259.353 2.177 20 30 CEEDHN N#CC1(C[C@@H](O)CNCc2cccc(C(F)(F)F)n2)CC1 ZINC000600738737 346682050 /nfs/dbraw/zinc/68/20/50/346682050.db2.gz KIZSFFJTVNPGNL-LLVKDONJSA-N 0 3 299.296 2.245 20 30 CEEDHN N#CCC1CN(C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000600859949 346700133 /nfs/dbraw/zinc/70/01/33/346700133.db2.gz ONKNCXKBNRGXSU-OAHLLOKOSA-N 0 3 255.365 2.358 20 30 CEEDHN N#CCN1CCC(NCc2ccc(C(F)F)nc2)CC1 ZINC000601105581 346754204 /nfs/dbraw/zinc/75/42/04/346754204.db2.gz CZDNNTJUSIJICW-UHFFFAOYSA-N 0 3 280.322 2.097 20 30 CEEDHN C=CCCCCNCc1cc(C(=O)OCC)no1 ZINC000602617096 347105931 /nfs/dbraw/zinc/10/59/31/347105931.db2.gz ADESWVCOUPZYSN-UHFFFAOYSA-N 0 3 252.314 2.297 20 30 CEEDHN CN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CN2CCC1CC2 ZINC000601249807 346801566 /nfs/dbraw/zinc/80/15/66/346801566.db2.gz HSHVOSAIQWTGJX-HNNXBMFYSA-N 0 3 284.363 2.116 20 30 CEEDHN Cc1ccc(C[C@@H](CO)NCc2cccc(C#N)n2)cc1C ZINC000602689140 347148343 /nfs/dbraw/zinc/14/83/43/347148343.db2.gz VZSXJLNDVWTNJC-SFHVURJKSA-N 0 3 295.386 2.263 20 30 CEEDHN CC(C)(CNCc1cccc(C#N)n1)c1cccnc1 ZINC000602693803 347151985 /nfs/dbraw/zinc/15/19/85/347151985.db2.gz OMBGXBBEUYYWDB-UHFFFAOYSA-N 0 3 266.348 2.416 20 30 CEEDHN C[C@@H](C[C@@H]1CCCC(=O)N1)NCC1(C#N)CCCC1 ZINC000602697528 347153983 /nfs/dbraw/zinc/15/39/83/347153983.db2.gz AEKIHZXRTAJBQX-STQMWFEESA-N 0 3 263.385 2.107 20 30 CEEDHN CO[C@H](CNCC1(C#N)CCCC1)C1CCOCC1 ZINC000602698357 347154587 /nfs/dbraw/zinc/15/45/87/347154587.db2.gz HLMIZPXZFPYYCZ-CQSZACIVSA-N 0 3 266.385 2.102 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@@H]2[C@@H]2CCCOC2)n1 ZINC000602703359 347158436 /nfs/dbraw/zinc/15/84/36/347158436.db2.gz ZRLSAPOEWUEAPV-CZUORRHYSA-N 0 3 271.364 2.344 20 30 CEEDHN CN1c2ccccc2C[C@H](NC2CCC(C#N)CC2)C1=O ZINC000602705147 347159285 /nfs/dbraw/zinc/15/92/85/347159285.db2.gz CXSJFGVOXYXFQA-ZALBZXLWSA-N 0 3 283.375 2.246 20 30 CEEDHN CCOC(=O)c1cc(CNCC2CCC(C#N)CC2)on1 ZINC000602658341 347127838 /nfs/dbraw/zinc/12/78/38/347127838.db2.gz UVWRIPDGZDOTLH-UHFFFAOYSA-N 0 3 291.351 2.271 20 30 CEEDHN N#Cc1ccc(CN(C[C@@H]2CCc3ncnn32)C2CC2)cc1 ZINC000602768386 347190383 /nfs/dbraw/zinc/19/03/83/347190383.db2.gz ICJNKYOSTPWGNY-INIZCTEOSA-N 0 3 293.374 2.302 20 30 CEEDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000602798019 347203307 /nfs/dbraw/zinc/20/33/07/347203307.db2.gz FLAANNMAIINYNO-NSHDSACASA-N 0 3 299.334 2.322 20 30 CEEDHN CCOC(=O)C(CC)(CC)CNCc1cccc(C#N)n1 ZINC000602735075 347178140 /nfs/dbraw/zinc/17/81/40/347178140.db2.gz QROADVDQJASXTB-UHFFFAOYSA-N 0 3 289.379 2.412 20 30 CEEDHN COC(=O)[C@@]1(C)CN(CC#Cc2ccccc2)C[C@@H]1C ZINC000602929476 347249764 /nfs/dbraw/zinc/24/97/64/347249764.db2.gz PSZAQJCJQRVXJV-YOEHRIQHSA-N 0 3 271.360 2.169 20 30 CEEDHN N#CCC1(CN2C[C@H](O)C[C@H]2c2ccccc2)CC1 ZINC000602841885 347220674 /nfs/dbraw/zinc/22/06/74/347220674.db2.gz WRSBXYVMJSKEHI-CABCVRRESA-N 0 3 256.349 2.488 20 30 CEEDHN N#CCCOCCN1CCC[C@H](c2cccnc2)C1 ZINC000602857394 347227068 /nfs/dbraw/zinc/22/70/68/347227068.db2.gz VRJKETGHNRJDGF-HNNXBMFYSA-N 0 3 259.353 2.191 20 30 CEEDHN CCC(CC)N(CCOC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000064806359 362795154 /nfs/dbraw/zinc/79/51/54/362795154.db2.gz BWJNDJNULCIIBL-INIZCTEOSA-N 0 3 297.443 2.178 20 30 CEEDHN C[C@@H](CC#N)NCC1CCN(C(=O)C(C)(C)C)CC1 ZINC000602870552 347232776 /nfs/dbraw/zinc/23/27/76/347232776.db2.gz NAJXKYIGSLNPKR-LBPRGKRZSA-N 0 3 265.401 2.163 20 30 CEEDHN CN(C)C1(CNC(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000602901012 347242066 /nfs/dbraw/zinc/24/20/66/347242066.db2.gz XNJYYNKDEOOKBQ-UHFFFAOYSA-N 0 3 292.770 2.427 20 30 CEEDHN COC(=O)C1C[C@@H](C)N(CC2(CC#N)CC2)[C@H](C)C1 ZINC000602916566 347246505 /nfs/dbraw/zinc/24/65/05/347246505.db2.gz IHVAEUWHAHBWLJ-VXGBXAGGSA-N 0 3 264.369 2.342 20 30 CEEDHN N#CCCCN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000603147435 347298263 /nfs/dbraw/zinc/29/82/63/347298263.db2.gz XJOHHZXBJUUXIS-CHWSQXEVSA-N 0 3 286.297 2.414 20 30 CEEDHN CCOC(=O)CCCCN(C)[C@H]1CCC[C@@H]1C#N ZINC000602978944 347262906 /nfs/dbraw/zinc/26/29/06/347262906.db2.gz ZASAQXAGIHWKGK-OLZOCXBDSA-N 0 3 252.358 2.344 20 30 CEEDHN N#Cc1cccc(OCCN[C@@H]2CCCn3nccc32)c1 ZINC000603027531 347274221 /nfs/dbraw/zinc/27/42/21/347274221.db2.gz MBSGLTLYXXGQLB-OAHLLOKOSA-N 0 3 282.347 2.258 20 30 CEEDHN CN(CCNc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000603279553 347327806 /nfs/dbraw/zinc/32/78/06/347327806.db2.gz FMWZEVIGNYDVQQ-UHFFFAOYSA-N 0 3 281.363 2.250 20 30 CEEDHN C=C(C)CN1CCC(Nc2cc(CC)ncn2)CC1 ZINC000603391963 347356703 /nfs/dbraw/zinc/35/67/03/347356703.db2.gz KETCJLLDYUPBGL-UHFFFAOYSA-N 0 3 260.385 2.491 20 30 CEEDHN CCC[C@@H](N)c1cn(Cc2ccc(C#N)cc2OC)nn1 ZINC000603241584 347319984 /nfs/dbraw/zinc/31/99/84/347319984.db2.gz SKIBEJAXKZTICJ-CYBMUJFWSA-N 0 3 285.351 2.007 20 30 CEEDHN C=C(C)CN1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000604391810 347413403 /nfs/dbraw/zinc/41/34/03/347413403.db2.gz IQNNWWKZZDYJOP-UHFFFAOYSA-N 0 3 258.365 2.082 20 30 CEEDHN C[C@H](F)CCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000351843765 219224177 /nfs/dbraw/zinc/22/41/77/219224177.db2.gz HOWUMISVEKWEEW-AWEZNQCLSA-N 0 3 275.371 2.424 20 30 CEEDHN CC1(CN2CCC(Oc3cccc(C#N)c3)CC2)COC1 ZINC000336832406 365898909 /nfs/dbraw/zinc/89/89/09/365898909.db2.gz AUGVUTGMAWSKRT-UHFFFAOYSA-N 0 3 286.375 2.438 20 30 CEEDHN CC(C)n1cc([C@H](C)NC2CCN(CC#N)CC2)cn1 ZINC000610813420 347716628 /nfs/dbraw/zinc/71/66/28/347716628.db2.gz GLBYYZJTJBOKBT-ZDUSSCGKSA-N 0 3 275.400 2.103 20 30 CEEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCc1ccc(C#N)o1 ZINC000610270996 347667557 /nfs/dbraw/zinc/66/75/57/347667557.db2.gz ZHCZLAVZGJGFGY-BLLLJJGKSA-N 0 3 270.332 2.405 20 30 CEEDHN Cc1noc(CCN[C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000611394219 347773482 /nfs/dbraw/zinc/77/34/82/347773482.db2.gz VQPBAHHSAQVKPF-HNNXBMFYSA-N 0 3 282.347 2.459 20 30 CEEDHN CC(C)Cc1ncc(CNC2CCN(CC#N)CC2)s1 ZINC000610946891 347723884 /nfs/dbraw/zinc/72/38/84/347723884.db2.gz UJBJWUMYDSAZPX-UHFFFAOYSA-N 0 3 292.452 2.419 20 30 CEEDHN C[C@H](NCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000611438130 347779377 /nfs/dbraw/zinc/77/93/77/347779377.db2.gz PPPVQDWUJQTFTE-ZNMIVQPWSA-N 0 3 287.407 2.318 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000611237236 347755358 /nfs/dbraw/zinc/75/53/58/347755358.db2.gz CADISDJCRPIYGI-ZIAGYGMSSA-N 0 3 283.412 2.367 20 30 CEEDHN C[C@H]1C[C@@H](Nc2nc3ccccn3c2C#N)CCN1C ZINC000611754314 347814082 /nfs/dbraw/zinc/81/40/82/347814082.db2.gz BBCBMYJCYMGYTD-RYUDHWBXSA-N 0 3 269.352 2.101 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000130104824 365925299 /nfs/dbraw/zinc/92/52/99/365925299.db2.gz AQKZDNCXXBGIGX-OAHLLOKOSA-N 0 3 262.397 2.452 20 30 CEEDHN CC(C)[C@H](NCc1ccc(CC#N)cc1)C(=O)N1CCCC1 ZINC000612118829 347846942 /nfs/dbraw/zinc/84/69/42/347846942.db2.gz XXZJEIHYOXFVEE-KRWDZBQOSA-N 0 3 299.418 2.489 20 30 CEEDHN CN(C)C1CN(c2c(C#N)cnc3c(F)ccc(F)c32)C1 ZINC000612448811 347888068 /nfs/dbraw/zinc/88/80/68/347888068.db2.gz GSXJNCMHPIKVDB-UHFFFAOYSA-N 0 3 288.301 2.135 20 30 CEEDHN C[C@@H]1CCC[C@]1(O)CNCc1cc(C#N)cs1 ZINC000336885844 365932451 /nfs/dbraw/zinc/93/24/51/365932451.db2.gz BAPPTTPUUNXCFR-MFKMUULPSA-N 0 3 250.367 2.260 20 30 CEEDHN C=CCN(CCC(=O)N(C)CC)Cc1cccc(C#N)c1 ZINC000130231323 365935498 /nfs/dbraw/zinc/93/54/98/365935498.db2.gz GAYRLTQBOFRZPH-UHFFFAOYSA-N 0 3 285.391 2.415 20 30 CEEDHN COCCN(C)CCNc1nc(C(C)(C)C)ccc1C#N ZINC000613418333 348043059 /nfs/dbraw/zinc/04/30/59/348043059.db2.gz HPIXPQYMRJXPER-UHFFFAOYSA-N 0 3 290.411 2.241 20 30 CEEDHN COC[C@H]1CCCCN(Cc2ccnc(C#N)c2)C1 ZINC000613503530 348060046 /nfs/dbraw/zinc/06/00/46/348060046.db2.gz VDAKKUROCLPITP-AWEZNQCLSA-N 0 3 259.353 2.202 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1[C@H](C)CCC[C@@H]1C ZINC000066531869 362871942 /nfs/dbraw/zinc/87/19/42/362871942.db2.gz MBVOOGJXONFFBS-OKILXGFUSA-N 0 3 250.386 2.450 20 30 CEEDHN C=CCC[C@@H](C)[NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F ZINC000273442481 192151188 /nfs/dbraw/zinc/15/11/88/192151188.db2.gz NAMHKXCYXRHLQW-PWSUYJOCSA-N 0 3 291.317 2.114 20 30 CEEDHN C[C@H]1[C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)CCCN1C ZINC000357472659 233077090 /nfs/dbraw/zinc/07/70/90/233077090.db2.gz KDBCMWVGSDCCCK-GXFFZTMASA-N 0 3 274.324 2.361 20 30 CEEDHN COC1(CO)CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000618551148 348973583 /nfs/dbraw/zinc/97/35/83/348973583.db2.gz VPKLUBRQYVUDPP-CYBMUJFWSA-N 0 3 274.364 2.093 20 30 CEEDHN C[C@@H]1[C@@H](C)CN1CCC(=O)Nc1sccc1C#N ZINC000339563945 215244934 /nfs/dbraw/zinc/24/49/34/215244934.db2.gz NQYKLZIOPMGXTI-VHSXEESVSA-N 0 3 263.366 2.289 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1cc(C#N)ccc1F ZINC000273998759 192395743 /nfs/dbraw/zinc/39/57/43/192395743.db2.gz KMFMLBFYFIGBCQ-QWRGUYRKSA-N 0 3 278.327 2.375 20 30 CEEDHN C[C@@H]1CN(Cc2cccc(F)c2C#N)C[C@@H](C)N1C ZINC000339617579 215269815 /nfs/dbraw/zinc/26/98/15/215269815.db2.gz XOQAXLSGJFSYGZ-VXGBXAGGSA-N 0 3 261.344 2.222 20 30 CEEDHN CC(C#N)C(=O)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000619674895 349215784 /nfs/dbraw/zinc/21/57/84/349215784.db2.gz UWOFFLYKRHGOGE-FOCJUVANSA-N 0 3 276.380 2.342 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(F)c(F)c1N(C)C ZINC000623491152 350033081 /nfs/dbraw/zinc/03/30/81/350033081.db2.gz HSPYMVGHZDYUGS-LLVKDONJSA-N 0 3 270.323 2.057 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000623727352 350094177 /nfs/dbraw/zinc/09/41/77/350094177.db2.gz VOUVWZAVWHYDCE-QWHCGFSZSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000623734785 350096279 /nfs/dbraw/zinc/09/62/79/350096279.db2.gz DDCSIHRPJOHHJD-MJBXVCDLSA-N 0 3 277.412 2.219 20 30 CEEDHN C=CCSCCNCc1cc2c(c(OC)c1)OCO2 ZINC000105462592 186059078 /nfs/dbraw/zinc/05/90/78/186059078.db2.gz UPACPOJKGRMAKH-UHFFFAOYSA-N 0 3 281.377 2.433 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCN2C)C1 ZINC000624939689 350384482 /nfs/dbraw/zinc/38/44/82/350384482.db2.gz ODGVRKKTMQUBJY-KGLIPLIRSA-N 0 3 265.401 2.078 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(C)CCC)CC1 ZINC000106275741 186106107 /nfs/dbraw/zinc/10/61/07/186106107.db2.gz YGYJLFPGQMPJRE-UHFFFAOYSA-N 0 3 253.390 2.078 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H](OCC)C(C)C)CC1 ZINC000625323211 350464765 /nfs/dbraw/zinc/46/47/65/350464765.db2.gz UDVCQNDWCGHRQD-OAHLLOKOSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(C)cn3ccnc23)CC1 ZINC000625321756 350464838 /nfs/dbraw/zinc/46/48/38/350464838.db2.gz PATDTYNYIWPGLI-UHFFFAOYSA-N 0 3 298.390 2.023 20 30 CEEDHN COc1cccc([C@H](CNc2cnc(C#N)cn2)N(C)C)c1 ZINC000106462558 186118937 /nfs/dbraw/zinc/11/89/37/186118937.db2.gz GFOPGOUFMFVOBO-HNNXBMFYSA-N 0 3 297.362 2.072 20 30 CEEDHN CCN(CC(=O)Nc1cccc(C#N)c1)CC1CC1 ZINC000069238191 362957644 /nfs/dbraw/zinc/95/76/44/362957644.db2.gz YAYVMSLSGDDEHP-UHFFFAOYSA-N 0 3 257.337 2.229 20 30 CEEDHN C#CCCOc1ccc(CN2CCC[C@H]2CO)cc1 ZINC000092455860 180388454 /nfs/dbraw/zinc/38/84/54/180388454.db2.gz AIKCBBYKQUZYPC-HNNXBMFYSA-N 0 3 259.349 2.045 20 30 CEEDHN C=CC[C@H]1CCN(Cc2nccc(OC)c2OC)C1 ZINC000625702061 350550416 /nfs/dbraw/zinc/55/04/16/350550416.db2.gz MSCGNMWYUCHOTB-LBPRGKRZSA-N 0 3 262.353 2.497 20 30 CEEDHN C=CCOc1cccc(CN2C[C@@H](CC)[C@H](O)C2)c1 ZINC000271398667 191115032 /nfs/dbraw/zinc/11/50/32/191115032.db2.gz VGVUPPMOUCMSMS-GDBMZVCRSA-N 0 3 261.365 2.454 20 30 CEEDHN C[C@@H](O)CN(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000130741983 365986407 /nfs/dbraw/zinc/98/64/07/365986407.db2.gz CNMPYQUCYFICQB-CQSZACIVSA-N 0 3 298.390 2.276 20 30 CEEDHN C[C@H]1[C@H](Nc2ccc(C(F)(F)F)c(C#N)n2)CCCN1C ZINC000337021235 365989629 /nfs/dbraw/zinc/98/96/29/365989629.db2.gz RLFWYOJHTBFFSP-GXSJLCMTSA-N 0 3 298.312 2.289 20 30 CEEDHN C=CC1CCN(CC(=O)N2CCc3ccccc3C2)CC1 ZINC000111256730 186379579 /nfs/dbraw/zinc/37/95/79/186379579.db2.gz GGSMVXQGVMJBES-UHFFFAOYSA-N 0 3 284.403 2.469 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC000628488134 351114860 /nfs/dbraw/zinc/11/48/60/351114860.db2.gz SGZOKKFFLRHUDT-MGPQQGTHSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC000628488135 351115037 /nfs/dbraw/zinc/11/50/37/351115037.db2.gz SGZOKKFFLRHUDT-MJBXVCDLSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CC[C@H]1CCN(Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000628405730 351094031 /nfs/dbraw/zinc/09/40/31/351094031.db2.gz SPPLAJPXFXLWJS-ZDUSSCGKSA-N 0 3 294.420 2.456 20 30 CEEDHN C=CCc1ccc(OC[C@H](O)CNC/C=C/C)c(OC)c1 ZINC000629603702 351429605 /nfs/dbraw/zinc/42/96/05/351429605.db2.gz PBGAVDUEAKNTFW-CSPWOOARSA-N 0 3 291.391 2.329 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000123011455 187065671 /nfs/dbraw/zinc/06/56/71/187065671.db2.gz WSXSCEYWPVPLPH-DZGCQCFKSA-N 0 3 283.375 2.175 20 30 CEEDHN N#CC1(CCCN[C@H](CO)c2ccsc2)CCOCC1 ZINC000337214395 366082603 /nfs/dbraw/zinc/08/26/03/366082603.db2.gz XKSCOADRZRYUCJ-CQSZACIVSA-N 0 3 294.420 2.472 20 30 CEEDHN CC(C)N(C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000292001164 198130332 /nfs/dbraw/zinc/13/03/32/198130332.db2.gz XJEWGCHCBQUKDR-CVEARBPZSA-N 0 3 274.364 2.091 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](CC(C)C)C1 ZINC000072492492 363139549 /nfs/dbraw/zinc/13/95/49/363139549.db2.gz BATCFWYQIOQIRY-LSDHHAIUSA-N 0 3 279.428 2.363 20 30 CEEDHN C=CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665121 363155241 /nfs/dbraw/zinc/15/52/41/363155241.db2.gz DEHGIGMUOCFVLP-LLVKDONJSA-N 0 3 262.313 2.052 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(C(C)C)no2)CC1 ZINC000072804338 363167810 /nfs/dbraw/zinc/16/78/10/363167810.db2.gz DJNQFZFOKSTVKD-UHFFFAOYSA-N 0 3 277.368 2.178 20 30 CEEDHN N#Cc1ccc(OCCNCc2cccnc2)cc1 ZINC000072939135 363182326 /nfs/dbraw/zinc/18/23/26/363182326.db2.gz UOQCWKBTZRYHFQ-UHFFFAOYSA-N 0 3 253.305 2.122 20 30 CEEDHN CN1CCC(CC(=O)N2CCc3ccc(C#N)cc32)CC1 ZINC000292068457 198151323 /nfs/dbraw/zinc/15/13/23/198151323.db2.gz GTLXFSZNNINVFG-UHFFFAOYSA-N 0 3 283.375 2.179 20 30 CEEDHN C=CCN(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000153935748 188112357 /nfs/dbraw/zinc/11/23/57/188112357.db2.gz BBVKWXVJEFEDAW-INIZCTEOSA-N 0 3 287.407 2.478 20 30 CEEDHN C=CCC[C@H](NC(=O)C(C)S(C)(=O)=O)c1ccccc1 ZINC000154249892 188131311 /nfs/dbraw/zinc/13/13/11/188131311.db2.gz YVWNPIYFPZBEFF-JSGCOSHPSA-N 0 3 295.404 2.243 20 30 CEEDHN C[C@H]1C[C@H](N(C)CC#N)CCN1Cc1ccccc1 ZINC000156978007 188291038 /nfs/dbraw/zinc/29/10/38/188291038.db2.gz HYPXRSXOKYLWPU-GOEBONIOSA-N 0 3 257.381 2.495 20 30 CEEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H](O)C(C)C ZINC000292633887 198358078 /nfs/dbraw/zinc/35/80/78/198358078.db2.gz NTQMBCDHCSMLAK-INIZCTEOSA-N 0 3 276.380 2.024 20 30 CEEDHN CCC[C@H](C)C(=O)NCCNCc1cccc(C#N)c1 ZINC000292703292 198382130 /nfs/dbraw/zinc/38/21/30/198382130.db2.gz OFZDUHLOLZKNRJ-ZDUSSCGKSA-N 0 3 273.380 2.200 20 30 CEEDHN C=CCN1CC[C@H](N(C)CCC2CCCC2)C1=O ZINC000337230156 366092191 /nfs/dbraw/zinc/09/21/91/366092191.db2.gz SQBATEFMSRRFLW-AWEZNQCLSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCN1CC[C@H](N(CCOC)C[C@@H]2CC=CCC2)C1=O ZINC000337252274 366105540 /nfs/dbraw/zinc/10/55/40/366105540.db2.gz RLBNCTJPLRORRV-CVEARBPZSA-N 0 3 292.423 2.078 20 30 CEEDHN C=CCOc1ccc(CN(C)[C@@H]2CCOC2)cc1OC ZINC000132117541 366119676 /nfs/dbraw/zinc/11/96/76/366119676.db2.gz CSYKGTLSMAOVSL-CQSZACIVSA-N 0 3 277.364 2.481 20 30 CEEDHN C[C@H](C(=O)NCc1ccc(C#N)cc1)N1CCCCCC1 ZINC000074435443 363338561 /nfs/dbraw/zinc/33/85/61/363338561.db2.gz WRGSCDBDTVXKEB-CQSZACIVSA-N 0 3 285.391 2.439 20 30 CEEDHN C=CCCN1CCN(c2ccc(Cl)cn2)CC1 ZINC000132630091 366159765 /nfs/dbraw/zinc/15/97/65/366159765.db2.gz DEFMICRJDGHCJP-UHFFFAOYSA-N 0 3 251.761 2.433 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000338121776 366200945 /nfs/dbraw/zinc/20/09/45/366200945.db2.gz RIDPOLSRLKMHEY-CQSZACIVSA-N 0 3 271.364 2.033 20 30 CEEDHN C#CC[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000271749483 191305629 /nfs/dbraw/zinc/30/56/29/191305629.db2.gz XFVHEJGVSHXLAO-CQSZACIVSA-N 0 3 284.319 2.146 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H](C3CCOCC3)C2)o1 ZINC000336375474 213228778 /nfs/dbraw/zinc/22/87/78/213228778.db2.gz FBEVDERXFZXFBR-CYBMUJFWSA-N 0 3 260.337 2.400 20 30 CEEDHN N#CCSCCCN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000074990547 363430971 /nfs/dbraw/zinc/43/09/71/363430971.db2.gz UKUAAVJTHLSKJG-ZJUUUORDSA-N 0 3 282.331 2.021 20 30 CEEDHN CC(C)C[C@@H]1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000074995400 363432510 /nfs/dbraw/zinc/43/25/10/363432510.db2.gz YJHKOQSEGUAZIT-HOCLYGCPSA-N 0 3 279.428 2.409 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CCc2cscn2)CC1 ZINC000171728067 188756230 /nfs/dbraw/zinc/75/62/30/188756230.db2.gz CHTDBHDEYOJMIY-UHFFFAOYSA-N 0 3 293.436 2.232 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000333244101 283066591 /nfs/dbraw/zinc/06/65/91/283066591.db2.gz FJHNKHCIRYVDOR-GUTXKFCHSA-N 0 3 275.396 2.202 20 30 CEEDHN C[C@H](NC[C@@H](O)c1cccnc1)c1ccc(C#N)cc1 ZINC000271871510 191380816 /nfs/dbraw/zinc/38/08/16/191380816.db2.gz MVOMPWWJIRPAMJ-BLLLJJGKSA-N 0 3 267.332 2.337 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCC#Cc1cccc(F)c1 ZINC000338240775 366246200 /nfs/dbraw/zinc/24/62/00/366246200.db2.gz WVZULGIGXHHKHC-ZIAGYGMSSA-N 0 3 288.366 2.166 20 30 CEEDHN C[C@H](NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccc(C#N)cc1 ZINC000134556308 366337289 /nfs/dbraw/zinc/33/72/89/366337289.db2.gz BJPXNKLJAWRMFH-BMGDILEWSA-N 0 3 299.418 2.462 20 30 CEEDHN N#Cc1cnc(N2CC[C@@H](N3CCCC3)C2)c(Cl)c1 ZINC000363193557 283233862 /nfs/dbraw/zinc/23/38/62/283233862.db2.gz XEZRJYOERUGQIF-GFCCVEGCSA-N 0 3 276.771 2.281 20 30 CEEDHN C=CCOc1ccc(CNCC(C)(C)S(C)(=O)=O)cc1 ZINC000093520432 538775297 /nfs/dbraw/zinc/77/52/97/538775297.db2.gz JYLDKBRAPOGUIO-UHFFFAOYSA-N 0 3 297.420 2.164 20 30 CEEDHN C[C@H]1[C@H](C)N(Cc2ccc(C#N)c(F)c2)CCN1C ZINC000336311066 213154071 /nfs/dbraw/zinc/15/40/71/213154071.db2.gz LKBZIDVWTCBFCO-RYUDHWBXSA-N 0 3 261.344 2.222 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc3cccnc3n2)CC1 ZINC000668368745 538893350 /nfs/dbraw/zinc/89/33/50/538893350.db2.gz FUFMSXDORBEBBO-UHFFFAOYSA-N 0 3 296.374 2.010 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2CCC2(C)C)CC1 ZINC000668370069 538894116 /nfs/dbraw/zinc/89/41/16/538894116.db2.gz MNSBKCDRXALBEX-CYBMUJFWSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCOc1ccc(CN(C)C[C@H](O)C2CC2)cc1OC ZINC000685461501 540323447 /nfs/dbraw/zinc/32/34/47/540323447.db2.gz NWXNUBWXWYOYMC-HNNXBMFYSA-N 0 3 291.391 2.463 20 30 CEEDHN N#CCNC(=O)CN1CCC[C@@H]1CCC1CCCCC1 ZINC000135299019 366424381 /nfs/dbraw/zinc/42/43/81/366424381.db2.gz MQYCQBHPWZVIII-OAHLLOKOSA-N 0 3 277.412 2.451 20 30 CEEDHN C[C@H]1CCN(Cc2cnc3c(C#N)cnn3c2)C[C@H]1C ZINC000578359567 366483598 /nfs/dbraw/zinc/48/35/98/366483598.db2.gz AUVREZFARTWWJC-NWDGAFQWSA-N 0 3 269.352 2.079 20 30 CEEDHN C[C@H](NC(=O)N1CCN[C@@H](C)[C@@H]1C)c1ccc(C#N)cc1 ZINC000417115052 237011369 /nfs/dbraw/zinc/01/13/69/237011369.db2.gz OXNNLGOJPLMNQW-AVGNSLFASA-N 0 3 286.379 2.011 20 30 CEEDHN C[C@@H]1[C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])CCCN1C ZINC000341564239 216014651 /nfs/dbraw/zinc/01/46/51/216014651.db2.gz LLFJMHNRERMISW-ZYHUDNBSSA-N 0 3 274.324 2.361 20 30 CEEDHN CCN1CCCC[C@H]1CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000297108602 200086619 /nfs/dbraw/zinc/08/66/19/200086619.db2.gz LPSAZENATRUJRW-LBPRGKRZSA-N 0 3 289.339 2.148 20 30 CEEDHN C=CCCCCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000578882770 366562797 /nfs/dbraw/zinc/56/27/97/366562797.db2.gz NPDUYTMJDYNTQY-JKIFEVAISA-N 0 3 294.439 2.382 20 30 CEEDHN CN1CCCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000297803005 200283178 /nfs/dbraw/zinc/28/31/78/200283178.db2.gz IANALRWZRYHRIC-UHFFFAOYSA-N 0 3 263.772 2.349 20 30 CEEDHN C[C@H]1C[C@H](NCc2ccc(C#N)cc2F)CN1C1CC1 ZINC000151157105 366626119 /nfs/dbraw/zinc/62/61/19/366626119.db2.gz BCJBCRQCVSQUJA-FZMZJTMJSA-N 0 3 273.355 2.412 20 30 CEEDHN C=CCNC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000673767834 540694892 /nfs/dbraw/zinc/69/48/92/540694892.db2.gz QUTSICKQGMRKBY-OAHLLOKOSA-N 0 3 287.407 2.478 20 30 CEEDHN CC(C)(C)[S@](=O)CCNCc1ccc(C#N)s1 ZINC000176971384 189017756 /nfs/dbraw/zinc/01/77/56/189017756.db2.gz GSRNGTDGKAUKQJ-QGZVFWFLSA-N 0 3 270.423 2.257 20 30 CEEDHN C#CCCOc1ccc(CNC2(CO)CCC2)cc1 ZINC000178639623 189133795 /nfs/dbraw/zinc/13/37/95/189133795.db2.gz DYPGRRMMJJYJHX-UHFFFAOYSA-N 0 3 259.349 2.093 20 30 CEEDHN COC(=O)C[C@H]1CCCN1Cc1ccc(OC)c(C#N)c1 ZINC000179239252 189179784 /nfs/dbraw/zinc/17/97/84/189179784.db2.gz KYAWLRBMFUZOEU-CQSZACIVSA-N 0 3 288.347 2.094 20 30 CEEDHN CCN1CCC[C@@H](CNc2snc(C)c2C#N)C1 ZINC000571595154 299317322 /nfs/dbraw/zinc/31/73/22/299317322.db2.gz XVLYQPNPNMVLCO-NSHDSACASA-N 0 3 264.398 2.467 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2c(C)cccc2F)CC1 ZINC000179869784 189225526 /nfs/dbraw/zinc/22/55/26/189225526.db2.gz QCPHRMFBPHJRRX-UHFFFAOYSA-N 0 3 274.339 2.418 20 30 CEEDHN C#CCSCCN[C@H](C)c1ccc2c(c1)OCO2 ZINC000181100274 189288292 /nfs/dbraw/zinc/28/82/92/189288292.db2.gz PGSZPMHMNMKXET-LLVKDONJSA-N 0 3 263.362 2.432 20 30 CEEDHN C#CCSCCN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000181097472 189288799 /nfs/dbraw/zinc/28/87/99/189288799.db2.gz PTWIPEMAHKPOPU-LBPRGKRZSA-N 0 3 277.389 2.475 20 30 CEEDHN C[C@@H](NCC1(CS(C)(=O)=O)CC1)c1cccc(C#N)c1 ZINC000181996177 189311927 /nfs/dbraw/zinc/31/19/27/189311927.db2.gz NTKRGBJJYJGBKZ-GFCCVEGCSA-N 0 3 292.404 2.034 20 30 CEEDHN C=C(C)[C@@H](CO)N(CC)Cc1ccc2c(c1)OCO2 ZINC000677951817 541061313 /nfs/dbraw/zinc/06/13/13/541061313.db2.gz UJBOGAVRAIKYNI-CYBMUJFWSA-N 0 3 263.337 2.174 20 30 CEEDHN CC(C)(C)[C@H](NC(=O)[C@H](N)CCCC#N)C(F)(F)F ZINC000580768367 366780060 /nfs/dbraw/zinc/78/00/60/366780060.db2.gz RTEBHPMUFLSWRG-SCZZXKLOSA-N 0 3 279.306 2.101 20 30 CEEDHN Cc1nc(C(C#N)C(=O)Nc2cccnc2)sc1C ZINC000155657702 366820915 /nfs/dbraw/zinc/82/09/15/366820915.db2.gz GDUSOCMMSAATFI-NSHDSACASA-N 0 3 272.333 2.401 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2[nH]c(C)cc2C)CC1 ZINC000155967833 366826220 /nfs/dbraw/zinc/82/62/20/366826220.db2.gz QXWIUAYHOJLLRS-UHFFFAOYSA-N 0 3 275.396 2.402 20 30 CEEDHN C=CCN[C@@H](CO)c1cccc(Br)c1 ZINC000183893102 189370307 /nfs/dbraw/zinc/37/03/07/189370307.db2.gz LFCKZIZQJWVHTF-NSHDSACASA-N 0 3 256.143 2.258 20 30 CEEDHN C=CC[C@H](CO)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000184284940 189381870 /nfs/dbraw/zinc/38/18/70/189381870.db2.gz NYKKYUWZZHDXMQ-OQHXTRMZSA-N 0 3 262.309 2.135 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000342449236 216355747 /nfs/dbraw/zinc/35/57/47/216355747.db2.gz NCHHBNKJAVEVHP-CXAGYDPISA-N 0 3 297.402 2.090 20 30 CEEDHN C=CCN[C@H](CC)c1ccccc1OCC(=O)NC ZINC000678747644 541169139 /nfs/dbraw/zinc/16/91/39/541169139.db2.gz RFMBRWHNUPBKAL-CYBMUJFWSA-N 0 3 262.353 2.038 20 30 CEEDHN CCO[C@H]1C[C@@](CO)(NCc2ccc(C#N)s2)C1(C)C ZINC000186577344 189443759 /nfs/dbraw/zinc/44/37/59/189443759.db2.gz HAOXWZLMVDAQPT-ZFWWWQNUSA-N 0 3 294.420 2.275 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc(OC)ccc2F)CC1 ZINC000088226240 363884289 /nfs/dbraw/zinc/88/42/89/363884289.db2.gz RBIIYPULQSRDDV-UHFFFAOYSA-N 0 3 290.338 2.118 20 30 CEEDHN C=CCCN1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000679831729 541321527 /nfs/dbraw/zinc/32/15/27/541321527.db2.gz XTXUVOGPHDGBBM-OAHLLOKOSA-N 0 3 294.420 2.469 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCc3occc32)CC1 ZINC000098093206 364530058 /nfs/dbraw/zinc/53/00/58/364530058.db2.gz OTRPNNUSMWYQNH-OAHLLOKOSA-N 0 3 286.375 2.118 20 30 CEEDHN CC(C#N)C(=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000335142808 364536367 /nfs/dbraw/zinc/53/63/67/364536367.db2.gz BAWJJPXDDWSVED-GWCFXTLKSA-N 0 3 278.739 2.400 20 30 CEEDHN C[C@@H]1CC[C@@H](C(N)=O)CN1CC#Cc1cccc(Cl)c1 ZINC000158471806 366857115 /nfs/dbraw/zinc/85/71/15/366857115.db2.gz OONDKAZHSPSCJM-TZMCWYRMSA-N 0 3 290.794 2.277 20 30 CEEDHN Cn1ccnc1[C@@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000335661012 212378560 /nfs/dbraw/zinc/37/85/60/212378560.db2.gz RTTQDKBJKSNSJU-GFCCVEGCSA-N 0 3 272.377 2.343 20 30 CEEDHN C[C@@H](CC#N)N(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000103441480 364655078 /nfs/dbraw/zinc/65/50/78/364655078.db2.gz KYMAQSBKTXTABM-LBPRGKRZSA-N 0 3 259.353 2.122 20 30 CEEDHN CC(C#N)C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000335346458 364689755 /nfs/dbraw/zinc/68/97/55/364689755.db2.gz SAVCISVTWJKIAV-CYBMUJFWSA-N 0 3 289.354 2.020 20 30 CEEDHN CCN1CCCC[C@@H]1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000104142506 364681401 /nfs/dbraw/zinc/68/14/01/364681401.db2.gz LGQOWOODOOCQHC-MRXNPFEDSA-N 0 3 285.391 2.391 20 30 CEEDHN N#Cc1ccccc1N1CCC[C@@H](NCc2cncnc2)C1 ZINC000109077705 364717643 /nfs/dbraw/zinc/71/76/43/364717643.db2.gz ONLQCFZOGDHGGT-MRXNPFEDSA-N 0 3 293.374 2.107 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)cc1F ZINC000335424822 364718825 /nfs/dbraw/zinc/71/88/25/364718825.db2.gz SRVJXSPDHOGZAK-HIFRSBDPSA-N 0 3 260.312 2.308 20 30 CEEDHN CC(C)(C#N)C(=O)N[C@H]1CCCN(C2CCCCC2)C1 ZINC000109303506 364719189 /nfs/dbraw/zinc/71/91/89/364719189.db2.gz PCTCYAIXJZJDLI-ZDUSSCGKSA-N 0 3 277.412 2.449 20 30 CEEDHN CCN(CCC#N)C(=O)CN(CC)[C@@H](C)C(C)C ZINC000112731246 364836945 /nfs/dbraw/zinc/83/69/45/364836945.db2.gz SHBJHTJBEMBTHD-ZDUSSCGKSA-N 0 3 253.390 2.115 20 30 CEEDHN C[C@H]1CCN(C)CCN1Cc1ccc(C#N)c(F)c1 ZINC000335693881 364843577 /nfs/dbraw/zinc/84/35/77/364843577.db2.gz BTMFSPHBKPAYHP-LBPRGKRZSA-N 0 3 261.344 2.223 20 30 CEEDHN CN1CCC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1Cl ZINC000335729818 364897929 /nfs/dbraw/zinc/89/79/29/364897929.db2.gz TYRKGKNCBZMHDC-LLVKDONJSA-N 0 3 292.770 2.427 20 30 CEEDHN CC(C)(C#N)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114643618 364955682 /nfs/dbraw/zinc/95/56/82/364955682.db2.gz AAKZALJUTNTYGE-OAHLLOKOSA-N 0 3 285.391 2.317 20 30 CEEDHN CC(C#N)C(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000335769904 364956172 /nfs/dbraw/zinc/95/61/72/364956172.db2.gz GPYJBDLUDVXBNQ-QMMMGPOBSA-N 0 3 250.248 2.009 20 30 CEEDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc(C#N)s2)CCN1C ZINC000335780700 364972051 /nfs/dbraw/zinc/97/20/51/364972051.db2.gz DKVXMLIAQGGEOO-WDEREUQCSA-N 0 3 277.393 2.174 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)s2)CCN1C ZINC000335780696 364972329 /nfs/dbraw/zinc/97/23/29/364972329.db2.gz DKVXMLIAQGGEOO-MNOVXSKESA-N 0 3 277.393 2.174 20 30 CEEDHN C=CCNC(=O)CN1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000115554846 365013078 /nfs/dbraw/zinc/01/30/78/365013078.db2.gz NVKRFMYPSFMCDD-ZFWWWQNUSA-N 0 3 258.365 2.167 20 30 CEEDHN C=CC[C@H](C)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000117036967 365088998 /nfs/dbraw/zinc/08/89/98/365088998.db2.gz NQPRFNYCPDRTLF-GOEBONIOSA-N 0 3 289.423 2.423 20 30 CEEDHN C=CC[C@H](C)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000117032172 365089719 /nfs/dbraw/zinc/08/97/19/365089719.db2.gz QXDBBOMXXQMXMA-STQMWFEESA-N 0 3 253.390 2.125 20 30 CEEDHN N#Cc1ccc(CN[C@H]2Cc3cccc(O)c3C2)o1 ZINC000335891964 365124092 /nfs/dbraw/zinc/12/40/92/365124092.db2.gz NWOAKUNFOQVNOC-NSHDSACASA-N 0 3 254.289 2.114 20 30 CEEDHN C=CCOc1ccc(CNC[C@@H](O)COC)cc1Cl ZINC000117946778 365135102 /nfs/dbraw/zinc/13/51/02/365135102.db2.gz NEZJIIDISYBNLR-GFCCVEGCSA-N 0 3 285.771 2.002 20 30 CEEDHN N#Cc1ccccc1OCCN(CCCCO)C1CC1 ZINC000118844461 365185333 /nfs/dbraw/zinc/18/53/33/365185333.db2.gz PXOKHMVUKCYRQS-UHFFFAOYSA-N 0 3 274.364 2.174 20 30 CEEDHN C[C@H]1C[C@@H](O)CN1Cc1ccccc1C(C)(C)C#N ZINC000335935267 365182075 /nfs/dbraw/zinc/18/20/75/365182075.db2.gz YHPXPWWPMYEDLW-GXTWGEPZSA-N 0 3 258.365 2.443 20 30 CEEDHN CC(C#N)C(=O)N1CCSC[C@H]1c1ccccc1 ZINC000335904140 365141975 /nfs/dbraw/zinc/14/19/75/365141975.db2.gz VYPJSUGPOSSJQJ-AAEUAGOBSA-N 0 3 260.362 2.463 20 30 CEEDHN Fc1ccc(C#CCN2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000119019327 365200832 /nfs/dbraw/zinc/20/08/32/365200832.db2.gz BYKIEOKZRGIDCK-INIZCTEOSA-N 0 3 298.365 2.181 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)[C@H]1CNCCC1(F)F ZINC000638876412 370814489 /nfs/dbraw/zinc/81/44/89/370814489.db2.gz YYCCRLKPJYFVCJ-LLVKDONJSA-N 0 3 274.355 2.340 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc(C#N)cc2)CN1C1CC1 ZINC000119841868 365331592 /nfs/dbraw/zinc/33/15/92/365331592.db2.gz XLUGLPOYQPHXEZ-RISCZKNCSA-N 0 3 284.363 2.305 20 30 CEEDHN C#CCCOc1ccc(CN[C@@]2(C)CCOC2)cc1 ZINC000120107230 365373655 /nfs/dbraw/zinc/37/36/55/365373655.db2.gz JMEVDKHVEBIGMH-INIZCTEOSA-N 0 3 259.349 2.357 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(C)CCC1CCOCC1 ZINC000120699320 365462738 /nfs/dbraw/zinc/46/27/38/365462738.db2.gz ULWZQTCIMLPBLY-UHFFFAOYSA-N 0 3 282.428 2.160 20 30 CEEDHN C=CCCOCC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000681145393 541512481 /nfs/dbraw/zinc/51/24/81/541512481.db2.gz FWWCHIVBGMIBNY-WMLDXEAASA-N 0 3 290.407 2.387 20 30 CEEDHN CN(Cc1cccc(C#N)c1F)[C@@H]1CCN(C2CC2)C1 ZINC000340894060 367078222 /nfs/dbraw/zinc/07/82/22/367078222.db2.gz LJCRPKXNLZMTAR-OAHLLOKOSA-N 0 3 273.355 2.366 20 30 CEEDHN CC[C@H](NC[C@H](C)S(C)(=O)=O)c1ccc(C#N)cc1 ZINC000584093116 367140862 /nfs/dbraw/zinc/14/08/62/367140862.db2.gz DQYOYIQSFQGNBF-FZMZJTMJSA-N 0 3 280.393 2.032 20 30 CEEDHN C=CCN(CCC(=O)Nc1cc(N)ccc1F)C1CC1 ZINC000357549198 370820997 /nfs/dbraw/zinc/82/09/97/370820997.db2.gz FSTOYSAUKQMXAU-UHFFFAOYSA-N 0 3 277.343 2.387 20 30 CEEDHN C=CCN(CC#CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000357713839 370826877 /nfs/dbraw/zinc/82/68/77/370826877.db2.gz UGKWFJHELOMVKU-CQSZACIVSA-N 0 3 281.363 2.235 20 30 CEEDHN COc1ccc(CC[C@H](C)NC(=O)C(C)C#N)cc1 ZINC000357823714 370831044 /nfs/dbraw/zinc/83/10/44/370831044.db2.gz UJASKYIWLXEUIP-RYUDHWBXSA-N 0 3 260.337 2.292 20 30 CEEDHN CC(C)[C@@H](NC(=O)C(C)C#N)c1nc(-c2cccnc2)no1 ZINC000357896176 370833336 /nfs/dbraw/zinc/83/33/36/370833336.db2.gz UIMYWVZEYUVBBT-CMPLNLGQSA-N 0 3 299.334 2.105 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)C2(C#N)CCCC2)C1 ZINC000597923008 367209340 /nfs/dbraw/zinc/20/93/40/367209340.db2.gz ILCDCEZJCKBEIU-LBPRGKRZSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cnn(-c2ccccc2)c1 ZINC000341324441 367285021 /nfs/dbraw/zinc/28/50/21/367285021.db2.gz SABVYJGXGDWBQT-CQSZACIVSA-N 0 3 271.364 2.147 20 30 CEEDHN C[C@H](CCN[C@@H](C)c1ccc(C#N)cc1)[S@](C)=O ZINC000164650475 367292793 /nfs/dbraw/zinc/29/27/93/367292793.db2.gz PAQCBJNXMAGFCN-FTLABTOESA-N 0 3 264.394 2.366 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000341367232 367305667 /nfs/dbraw/zinc/30/56/67/367305667.db2.gz HFKCEOKYVCYWHZ-HZSPNIEDSA-N 0 3 267.417 2.323 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000342344791 367400963 /nfs/dbraw/zinc/40/09/63/367400963.db2.gz JJJJQESGPZOICG-JSGCOSHPSA-N 0 3 265.401 2.077 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000342407348 367406682 /nfs/dbraw/zinc/40/66/82/367406682.db2.gz LYONBQBMZNSTDW-KCQAQPDRSA-N 0 3 263.385 2.011 20 30 CEEDHN C=C[C@@](C)(O)CC(=O)N(CCC)CCN1CCCCC1 ZINC000342790635 367537872 /nfs/dbraw/zinc/53/78/72/367537872.db2.gz RWPXMANIEIRZBF-MRXNPFEDSA-N 0 3 282.428 2.038 20 30 CEEDHN C=CCCN(C)CC(=O)N(C1CC1)C1CCCC1 ZINC000342726564 367501835 /nfs/dbraw/zinc/50/18/35/367501835.db2.gz GFUJBYGPNAJORW-UHFFFAOYSA-N 0 3 250.386 2.428 20 30 CEEDHN C[C@H](CN1CCCCC1)NCc1cnc2ccc(C#N)cn12 ZINC000342736454 367507649 /nfs/dbraw/zinc/50/76/49/367507649.db2.gz XKIUYHMXYGDROV-CQSZACIVSA-N 0 3 297.406 2.170 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000171726051 367604446 /nfs/dbraw/zinc/60/44/46/367604446.db2.gz MAACDKAEFIQCDX-UHFFFAOYSA-N 0 3 297.402 2.477 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(C)(C)OC)C(C)C ZINC000171668826 367588437 /nfs/dbraw/zinc/58/84/37/367588437.db2.gz YNNMSUHQSFIHCC-CQSZACIVSA-N 0 3 282.428 2.226 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)Cc1ccc(C#N)cc1 ZINC000171874127 367631111 /nfs/dbraw/zinc/63/11/11/367631111.db2.gz NFKZRCXJWLIUAH-INIZCTEOSA-N 0 3 285.391 2.091 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682039001 541623871 /nfs/dbraw/zinc/62/38/71/541623871.db2.gz OLKXEYVOHWPDMS-VXGBXAGGSA-N 0 3 281.318 2.357 20 30 CEEDHN Cc1nc(CCNCc2cnc3ccc(C#N)cn23)cs1 ZINC000343145435 367684108 /nfs/dbraw/zinc/68/41/08/367684108.db2.gz VRDVBUSOWXUSAB-UHFFFAOYSA-N 0 3 297.387 2.303 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000343352537 367767657 /nfs/dbraw/zinc/76/76/57/367767657.db2.gz VSAQPDPTJUJGSL-WQHBLYJGSA-N 0 3 280.274 2.071 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343438414 367816400 /nfs/dbraw/zinc/81/64/00/367816400.db2.gz AHBDNLXDFLMZJL-GXTWGEPZSA-N 0 3 250.386 2.354 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cncc(C)c2)CC1 ZINC000173102314 367868192 /nfs/dbraw/zinc/86/81/92/367868192.db2.gz RKIBLNFASIKXJX-UHFFFAOYSA-N 0 3 273.380 2.160 20 30 CEEDHN C[C@H]1[C@H](NC(=O)CCc2ccc(C#N)cc2)CCCN1C ZINC000343574302 367893253 /nfs/dbraw/zinc/89/32/53/367893253.db2.gz WEPKXTIAISQPSL-XJKSGUPXSA-N 0 3 285.391 2.090 20 30 CEEDHN CN(CCc1cnccn1)Cc1ccc(CC#N)cc1 ZINC000343705692 367965655 /nfs/dbraw/zinc/96/56/55/367965655.db2.gz GIRLEVVDWFIBNQ-UHFFFAOYSA-N 0 3 266.348 2.217 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](CC(N)=O)C1 ZINC000175258059 368118664 /nfs/dbraw/zinc/11/86/64/368118664.db2.gz FEWLXGIARDVRLZ-GXTWGEPZSA-N 0 3 271.364 2.207 20 30 CEEDHN CCN1C[C@@H](C)N(c2ccc(C)c(C#N)n2)C[C@@H]1C ZINC000345110963 368157649 /nfs/dbraw/zinc/15/76/49/368157649.db2.gz KCEXVNVCQYHKIY-QWHCGFSZSA-N 0 3 258.369 2.181 20 30 CEEDHN C=C[C@](C)(O)CC(=O)Nc1ccc(CN(C)C)cc1OC ZINC000633376735 368220060 /nfs/dbraw/zinc/22/00/60/368220060.db2.gz ZUQNOCJUQJUYAS-INIZCTEOSA-N 0 3 292.379 2.022 20 30 CEEDHN COCCO[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000179365176 368337081 /nfs/dbraw/zinc/33/70/81/368337081.db2.gz QHHWJJYBZDQKGR-INIZCTEOSA-N 0 3 274.364 2.186 20 30 CEEDHN CC#CCON=C(N)c1cccc(CN2CCCCC2)c1 ZINC000180624352 368389744 /nfs/dbraw/zinc/38/97/44/368389744.db2.gz NPGGFLDVSXYEGN-UHFFFAOYSA-N 0 3 285.391 2.333 20 30 CEEDHN CCC[C@@H](C)CN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000180712154 368393901 /nfs/dbraw/zinc/39/39/01/368393901.db2.gz FLZJZKBOVSPINN-KGLIPLIRSA-N 0 3 287.411 2.295 20 30 CEEDHN CC(C)C[C@H](NCC(=O)NCC#N)c1ccccc1 ZINC000181799101 368495386 /nfs/dbraw/zinc/49/53/86/368495386.db2.gz LWTGPZQLJZZONY-AWEZNQCLSA-N 0 3 259.353 2.003 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN1CCCC[C@@H]1CC ZINC000346002780 368513530 /nfs/dbraw/zinc/51/35/30/368513530.db2.gz LXGQPVQPROCFJU-JYJNAYRXSA-N 0 3 294.439 2.348 20 30 CEEDHN CC[C@H](NCC(=O)Nc1sccc1C#N)[C@@H]1CCCO1 ZINC000182334381 368552916 /nfs/dbraw/zinc/55/29/16/368552916.db2.gz PCKAUSINUOKSJJ-RYUDHWBXSA-N 0 3 293.392 2.105 20 30 CEEDHN CC(C#N)C(=O)NCc1coc(-c2ccccc2)n1 ZINC000346236507 368601651 /nfs/dbraw/zinc/60/16/51/368601651.db2.gz HWHRHYGFKVJOAI-SNVBAGLBSA-N 0 3 255.277 2.117 20 30 CEEDHN CCN(CCC1CC1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000346527211 368706049 /nfs/dbraw/zinc/70/60/49/368706049.db2.gz IOAVZFNWOQOMON-LBPRGKRZSA-N 0 3 263.385 2.059 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C2CC2)CC1 ZINC000358160069 370930080 /nfs/dbraw/zinc/93/00/80/370930080.db2.gz UUXUHJYLNGRCRP-GFCCVEGCSA-N 0 3 265.401 2.125 20 30 CEEDHN C[C@@H](CO)N1CCCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000346604354 368732520 /nfs/dbraw/zinc/73/25/20/368732520.db2.gz APDXOPAZFOZNBV-GJZGRUSLSA-N 0 3 287.407 2.008 20 30 CEEDHN C[C@H]1OCC[C@]12CN(CCC(C)(C)C#N)C[C@@H](C)O2 ZINC000347218469 368802516 /nfs/dbraw/zinc/80/25/16/368802516.db2.gz USWPRCWIWBDVCO-NFAWXSAZSA-N 0 3 266.385 2.195 20 30 CEEDHN C=C(C)CN(CC)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360746054 261098990 /nfs/dbraw/zinc/09/89/90/261098990.db2.gz NZPDXPKFYLIIFS-AWEZNQCLSA-N 0 3 285.457 2.031 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000347596391 368814429 /nfs/dbraw/zinc/81/44/29/368814429.db2.gz IMJYJZHJXSFYOG-QWHCGFSZSA-N 0 3 295.427 2.145 20 30 CEEDHN C=C(CNC[C@H](O)C[C@](C)(O)C1CC1)c1ccccc1 ZINC000634713948 368835561 /nfs/dbraw/zinc/83/55/61/368835561.db2.gz DCPHTQZQBYZBTP-SJORKVTESA-N 0 3 275.392 2.201 20 30 CEEDHN C=C(CC)CN(C)C[C@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000348108515 368902137 /nfs/dbraw/zinc/90/21/37/368902137.db2.gz SVHRZOBUEYLDEL-LSDHHAIUSA-N 0 3 292.402 2.287 20 30 CEEDHN C=C(CC)CN(C)C[C@@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000348108512 368902191 /nfs/dbraw/zinc/90/21/91/368902191.db2.gz SVHRZOBUEYLDEL-CABCVRRESA-N 0 3 292.402 2.287 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000287281779 376194216 /nfs/dbraw/zinc/19/42/16/376194216.db2.gz SUJXJQVAPXZCEG-ABAIWWIYSA-N 0 3 287.363 2.159 20 30 CEEDHN CCO[C@@H]1C[C@](CO)(NCc2ccc(C#N)cc2)C1(C)C ZINC000186578611 368999283 /nfs/dbraw/zinc/99/92/83/368999283.db2.gz 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COc1cccc(CCNCc2cc(C#N)cs2)n1 ZINC000344961693 217369632 /nfs/dbraw/zinc/36/96/32/217369632.db2.gz WUHXDBHIJWLPBP-UHFFFAOYSA-N 0 3 273.361 2.356 20 30 CEEDHN CC(C)CN1CCCN(C(=O)c2sccc2C#N)CC1 ZINC000369310464 373383392 /nfs/dbraw/zinc/38/33/92/373383392.db2.gz QKJPVVGPKLMSAQ-UHFFFAOYSA-N 0 3 291.420 2.424 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3ccccc3C#N)[C@@H]2C1 ZINC000272376932 373455285 /nfs/dbraw/zinc/45/52/85/373455285.db2.gz BKSKRZKELNCADH-RUBBHVMPSA-N 0 3 295.386 2.124 20 30 CEEDHN Cc1ccccc1CN1CCC(n2cnc(C#N)n2)CC1 ZINC000369730472 373499198 /nfs/dbraw/zinc/49/91/98/373499198.db2.gz QDXVZONCUDEYNB-UHFFFAOYSA-N 0 3 281.363 2.295 20 30 CEEDHN N#Cc1ncn(C2CCN(CCc3ccccc3)CC2)n1 ZINC000369731149 373500229 /nfs/dbraw/zinc/50/02/29/373500229.db2.gz SXLRKPVLLFONKQ-UHFFFAOYSA-N 0 3 281.363 2.029 20 30 CEEDHN N#Cc1cccc(OCCN2CCC[C@H]3OCC[C@H]32)c1 ZINC000369787237 373510209 /nfs/dbraw/zinc/51/02/09/373510209.db2.gz NMTHKQWUCQKERN-HZPDHXFCSA-N 0 3 272.348 2.190 20 30 CEEDHN CN(CCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000370002624 373553248 /nfs/dbraw/zinc/55/32/48/373553248.db2.gz QZRSDSRRJCKIPV-INIZCTEOSA-N 0 3 257.381 2.496 20 30 CEEDHN C[C@@H](NC(=O)NCc1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000272867511 373686571 /nfs/dbraw/zinc/68/65/71/373686571.db2.gz WAWWXTVQNYQMSY-CYBMUJFWSA-N 0 3 298.390 2.008 20 30 CEEDHN C#CCN(C[C@@H](O)COCc1ccccc1Cl)C1CC1 ZINC000274243034 373852624 /nfs/dbraw/zinc/85/26/24/373852624.db2.gz YDCBYTRSIGUQAR-OAHLLOKOSA-N 0 3 293.794 2.315 20 30 CEEDHN CC#CCN1CCC(Cn2cc(Br)cn2)CC1 ZINC000371725221 373959909 /nfs/dbraw/zinc/95/99/09/373959909.db2.gz CQFVTGPQCYQCRR-UHFFFAOYSA-N 0 3 296.212 2.381 20 30 CEEDHN C=C(C)CCN1CCC[C@H]1C(=O)NCc1ccco1 ZINC000274808216 374057485 /nfs/dbraw/zinc/05/74/85/374057485.db2.gz UHKTWRXTEKSVKI-AWEZNQCLSA-N 0 3 262.353 2.326 20 30 CEEDHN CCC(CC)(CC(=O)OC)NCc1cc(C#N)n(C)c1 ZINC000276633021 374245773 /nfs/dbraw/zinc/24/57/73/374245773.db2.gz OPZHIIIKLVAQGW-UHFFFAOYSA-N 0 3 277.368 2.108 20 30 CEEDHN Cn1cc(CN2CCCO[C@H]3CCC[C@H]32)cc1C#N ZINC000373817998 374424931 /nfs/dbraw/zinc/42/49/31/374424931.db2.gz GGGSDBOPEOFSDL-CABCVRRESA-N 0 3 259.353 2.040 20 30 CEEDHN C#CCC(CC#C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000277658695 374598112 /nfs/dbraw/zinc/59/81/12/374598112.db2.gz LKNDUZNHAMPNBQ-SFHVURJKSA-N 0 3 296.414 2.377 20 30 CEEDHN C#CCCN1CC[C@@H](OCc2csc(C)n2)C1 ZINC000374860486 374633437 /nfs/dbraw/zinc/63/34/37/374633437.db2.gz YTABWZNSNOABBL-CYBMUJFWSA-N 0 3 250.367 2.066 20 30 CEEDHN C=CCC[C@H](O)CN1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374914729 374635667 /nfs/dbraw/zinc/63/56/67/374635667.db2.gz SPPYVDNEOOZIQM-HOTGVXAUSA-N 0 3 279.355 2.046 20 30 CEEDHN C[C@H](C#N)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000374590118 374606621 /nfs/dbraw/zinc/60/66/21/374606621.db2.gz AWWXZYZKGHBVBM-LSDHHAIUSA-N 0 3 257.381 2.495 20 30 CEEDHN C=CCC[C@H](O)CN1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000375171298 374643975 /nfs/dbraw/zinc/64/39/75/374643975.db2.gz NYMDCAXYTKMJRX-LSDHHAIUSA-N 0 3 294.395 2.209 20 30 CEEDHN CC[C@H](NC[C@H](O)c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000278389557 374801372 /nfs/dbraw/zinc/80/13/72/374801372.db2.gz DQBLKKCNPNRMAD-HOTGVXAUSA-N 0 3 284.363 2.066 20 30 CEEDHN Cn1cc(CN[C@H]2c3ccccc3CC[C@@H]2CO)cc1C#N ZINC000377025215 374775732 /nfs/dbraw/zinc/77/57/32/374775732.db2.gz QJXQGNKEASLZIN-CRAIPNDOSA-N 0 3 295.386 2.282 20 30 CEEDHN N#Cc1ccc2ncc(CN3CCC4(C3)CCOCC4)n2c1 ZINC000378335799 375073586 /nfs/dbraw/zinc/07/35/86/375073586.db2.gz UBTGDXJIIFNFFQ-UHFFFAOYSA-N 0 3 296.374 2.208 20 30 CEEDHN C=CCOCCNCc1ccnn1-c1ccc(F)cc1 ZINC000684393155 541992390 /nfs/dbraw/zinc/99/23/90/541992390.db2.gz GBXMNEYSAGZLIM-UHFFFAOYSA-N 0 3 275.327 2.304 20 30 CEEDHN CC[C@@H]1[C@H](CO)CCN1Cc1cc(C#N)ccc1OC ZINC000385623505 375236350 /nfs/dbraw/zinc/23/63/50/375236350.db2.gz HOFIPYWSIWMPTP-DZGCQCFKSA-N 0 3 274.364 2.160 20 30 CEEDHN C#C[C@@H](NC[C@@H](O)COc1ccccc1Cl)C(C)C ZINC000387630213 375279359 /nfs/dbraw/zinc/27/93/59/375279359.db2.gz HUZBPTCPPFEFDL-TZMCWYRMSA-N 0 3 281.783 2.327 20 30 CEEDHN C=C(C)COc1cc(CN(C)CCCO)ccc1OC ZINC000281638542 375391157 /nfs/dbraw/zinc/39/11/57/375391157.db2.gz AHUUPUZVSIDFOP-UHFFFAOYSA-N 0 3 279.380 2.464 20 30 CEEDHN C[C@@](O)(CN1CCC(CCC#N)CC1)C(F)(F)F ZINC000399334952 375362514 /nfs/dbraw/zinc/36/25/14/375362514.db2.gz RDWSBMGPKQXLPV-LLVKDONJSA-N 0 3 264.291 2.315 20 30 CEEDHN C[C@H]1CCC[C@@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000282122160 375408100 /nfs/dbraw/zinc/40/81/00/375408100.db2.gz QTIABRDNGSVOFG-FZMZJTMJSA-N 0 3 257.337 2.275 20 30 CEEDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc(OC)c(C#N)c1 ZINC000283119140 375659185 /nfs/dbraw/zinc/65/91/85/375659185.db2.gz MWFVZQNEHDIEJN-NEPJUHHUSA-N 0 3 290.363 2.244 20 30 CEEDHN Cn1nccc1CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000283666477 375742231 /nfs/dbraw/zinc/74/22/31/375742231.db2.gz FDKDMBKGCBZJQE-UHFFFAOYSA-N 0 3 280.375 2.499 20 30 CEEDHN C[C@H](NC[C@H]1CCCS(=O)(=O)C1)c1cccc(C#N)c1 ZINC000284168249 375821389 /nfs/dbraw/zinc/82/13/89/375821389.db2.gz QOBGVFAPRKNVQW-GXTWGEPZSA-N 0 3 292.404 2.034 20 30 CEEDHN CN(Cc1ccccc1)C1CN(c2cccc(C#N)n2)C1 ZINC000286272023 375894393 /nfs/dbraw/zinc/89/43/93/375894393.db2.gz HKRCVVYHROYRAX-UHFFFAOYSA-N 0 3 278.359 2.274 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H](CO)C2)c(F)c1 ZINC000414578066 375866421 /nfs/dbraw/zinc/86/64/21/375866421.db2.gz PFYHHGSVHJWGQF-OCCSQVGLSA-N 0 3 262.328 2.338 20 30 CEEDHN CC[C@@H]1CCCCN1CCNc1nc(C)cc(C#N)n1 ZINC000287381235 376220037 /nfs/dbraw/zinc/22/00/37/376220037.db2.gz OPIDVPNAXDWEOE-CQSZACIVSA-N 0 3 273.384 2.333 20 30 CEEDHN C=C(C)CCN[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000419221777 376400521 /nfs/dbraw/zinc/40/05/21/376400521.db2.gz KEVYDWLZHOFDSQ-CYBMUJFWSA-N 0 3 279.384 2.458 20 30 CEEDHN C=CC[C@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289672420 376440433 /nfs/dbraw/zinc/44/04/33/376440433.db2.gz ZDJHOFDIOTXYAX-UBHSHLNASA-N 0 3 273.332 2.372 20 30 CEEDHN N#Cc1nccnc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000263732564 190075538 /nfs/dbraw/zinc/07/55/38/190075538.db2.gz CMEQLMUVNSFZBF-OAHLLOKOSA-N 0 3 293.374 2.425 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000264201353 190096406 /nfs/dbraw/zinc/09/64/06/190096406.db2.gz PPYNLZDTXWOPPU-BLLLJJGKSA-N 0 3 288.366 2.394 20 30 CEEDHN C#C[C@H](NCc1cnc(N(C)C)s1)C(C)(C)C ZINC000290001043 376597899 /nfs/dbraw/zinc/59/78/99/376597899.db2.gz CZJSAXLRHFYHQC-NSHDSACASA-N 0 3 251.399 2.347 20 30 CEEDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc(C#N)s3)C2)C1 ZINC000334338696 206394004 /nfs/dbraw/zinc/39/40/04/206394004.db2.gz ZBXQWRNBICHNKU-OAHLLOKOSA-N 0 3 289.404 2.178 20 30 CEEDHN C=CCN1CCC(NC(=O)COc2ccc(C)cc2)CC1 ZINC000264453174 190110253 /nfs/dbraw/zinc/11/02/53/190110253.db2.gz DFZIJIINRMVOGK-UHFFFAOYSA-N 0 3 288.391 2.140 20 30 CEEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2)[C@H]1n1cccn1 ZINC000559360699 376676479 /nfs/dbraw/zinc/67/64/79/376676479.db2.gz OUIYZBXIQJBXFN-GVDBMIGSSA-N 0 3 296.374 2.263 20 30 CEEDHN Cc1nc(N(C)CCN2CCCC2)c(Cl)cc1C#N ZINC000311631960 376679519 /nfs/dbraw/zinc/67/95/19/376679519.db2.gz ZLZDBJPILBMAJR-UHFFFAOYSA-N 0 3 278.787 2.447 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CCN(c2ccncc2)CC1 ZINC000684928642 542091924 /nfs/dbraw/zinc/09/19/24/542091924.db2.gz QLCYRTBITRBQIM-AWEZNQCLSA-N 0 3 288.395 2.268 20 30 CEEDHN CC#CCN1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421027631 376790766 /nfs/dbraw/zinc/79/07/66/376790766.db2.gz TWBQYLZHBZZERY-STQMWFEESA-N 0 3 251.370 2.309 20 30 CEEDHN C=CCc1cc(CN(C)C[C@@H](O)C2CC2)cc(OC)c1O ZINC000685461670 542143628 /nfs/dbraw/zinc/14/36/28/542143628.db2.gz RPDKWXBOTSRZBE-OAHLLOKOSA-N 0 3 291.391 2.332 20 30 CEEDHN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000328624625 376863976 /nfs/dbraw/zinc/86/39/76/376863976.db2.gz ZRKFBSWKSYTECB-JKOKRWQUSA-N 0 3 279.384 2.325 20 30 CEEDHN CC(=O)N(C[C@H]1CCCN1CCC(C)(C)C#N)C1CC1 ZINC000328624580 376864751 /nfs/dbraw/zinc/86/47/51/376864751.db2.gz CNRONAXFAISLMD-OAHLLOKOSA-N 0 3 277.412 2.402 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCOC1 ZINC000562363656 376876110 /nfs/dbraw/zinc/87/61/10/376876110.db2.gz ZZTSHVQHGOFOJW-LSDHHAIUSA-N 0 3 272.348 2.054 20 30 CEEDHN C[C@H](N[C@H]1CCC(=O)NC12CCC2)C(=O)NC1CC1 ZINC000328700357 376880939 /nfs/dbraw/zinc/88/09/39/376880939.db2.gz MPVIFYQKBDZLPB-ONGXEEELSA-N 0 3 265.357 2.125 20 30 CEEDHN O=C(N[C@@H]1CCC[C@H]1CCO)C1CCN(C2CC2)CC1 ZINC000328749702 376891063 /nfs/dbraw/zinc/89/10/63/376891063.db2.gz MLMJZKGYGNHULB-SWLSCSKDSA-N 0 3 280.412 2.368 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000328891390 376918565 /nfs/dbraw/zinc/91/85/65/376918565.db2.gz SNJMACIVCLZQDV-IUPKNAOTSA-N 0 3 288.391 2.474 20 30 CEEDHN COc1cc(CNC[C@@H](O)CCC(C)C)ccc1C#N ZINC000563011179 377057621 /nfs/dbraw/zinc/05/76/21/377057621.db2.gz LDALJBQCROHMBK-HNNXBMFYSA-N 0 3 276.380 2.454 20 30 CEEDHN C[C@@H]1CCCCN1CCNc1ncc2c(c1C#N)CCC2 ZINC000563019211 377062632 /nfs/dbraw/zinc/06/26/32/377062632.db2.gz KCNIUIWQVAMSSX-CYBMUJFWSA-N 0 3 284.407 2.150 20 30 CEEDHN CC[C@@H]1C[C@H](C)CN1CC(=O)NCc1cccc(C#N)c1 ZINC000330943108 377207570 /nfs/dbraw/zinc/20/75/70/377207570.db2.gz 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C=CCNC(=O)[C@@H](C)N1CCCC2(CCCC2)C1 ZINC000445864818 378083157 /nfs/dbraw/zinc/08/31/57/378083157.db2.gz YRKOGBVGAHTJRF-CYBMUJFWSA-N 0 3 250.386 2.333 20 30 CEEDHN C#CCN(Cc1ccccc1)C[C@@H]1CCNC(=O)CC1 ZINC000295337961 378111770 /nfs/dbraw/zinc/11/17/70/378111770.db2.gz PQKZTYPWSNQLGH-INIZCTEOSA-N 0 3 270.376 2.038 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000447730504 378133592 /nfs/dbraw/zinc/13/35/92/378133592.db2.gz KSALNVOLEBNGQT-KBPBESRZSA-N 0 3 271.364 2.179 20 30 CEEDHN CCOCCOc1cc(C)ccc1CNC(=O)C(C)C#N ZINC000446503616 378086595 /nfs/dbraw/zinc/08/65/95/378086595.db2.gz CFNQGTHNXHHCAR-CYBMUJFWSA-N 0 3 290.363 2.186 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000448923590 378191773 /nfs/dbraw/zinc/19/17/73/378191773.db2.gz VEOWPPKWAWKCPC-TZMCWYRMSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(N(CC)CC)s1 ZINC000449517103 378215284 /nfs/dbraw/zinc/21/52/84/378215284.db2.gz DSTVWGBXLBSBQO-OLZOCXBDSA-N 0 3 281.425 2.422 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@]1(C#N)C[C@@H]1C ZINC000450429277 378412061 /nfs/dbraw/zinc/41/20/61/378412061.db2.gz ZGWKNILVVWZGQQ-VBQJREDUSA-N 0 3 285.391 2.173 20 30 CEEDHN C[C@H](O)CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000450995914 378674851 /nfs/dbraw/zinc/67/48/51/378674851.db2.gz TWRJFKRMWXSKTH-LBPRGKRZSA-N 0 3 292.354 2.311 20 30 CEEDHN N#Cc1ccccc1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000298493538 378745192 /nfs/dbraw/zinc/74/51/92/378745192.db2.gz NKQQGTIJQQMZSD-MRXNPFEDSA-N 0 3 285.391 2.249 20 30 CEEDHN CN(CC(=O)NCc1ccc(C#N)cc1)C1CCCC1 ZINC000298437281 378727161 /nfs/dbraw/zinc/72/71/61/378727161.db2.gz BLNPBNHHUIEQGW-UHFFFAOYSA-N 0 3 271.364 2.049 20 30 CEEDHN COC[C@@](C)(O)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000453255122 378842292 /nfs/dbraw/zinc/84/22/92/378842292.db2.gz LHTDXILJIGPYEH-NHYWBVRUSA-N 0 3 280.343 2.135 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)Cc1ccc(C#N)cc1 ZINC000299561252 379045243 /nfs/dbraw/zinc/04/52/43/379045243.db2.gz IMNQONOYHPUGQE-CQSZACIVSA-N 0 3 285.391 2.091 20 30 CEEDHN C[C@H]1CCN(CCCOc2cccc(C#N)c2)C[C@H]1O ZINC000299904313 379145945 /nfs/dbraw/zinc/14/59/45/379145945.db2.gz KSTOCENJMBZYSS-XJKSGUPXSA-N 0 3 274.364 2.030 20 30 CEEDHN C=CCNC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000515171181 379189567 /nfs/dbraw/zinc/18/95/67/379189567.db2.gz JRMXUOHWFJZOEV-INIZCTEOSA-N 0 3 287.407 2.131 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@@H](O)CO[C@@H](C)COC ZINC000278792960 194157897 /nfs/dbraw/zinc/15/78/97/194157897.db2.gz XXNIMGUUATUCNC-DOTOQJQBSA-N 0 3 293.407 2.087 20 30 CEEDHN N#Cc1ccc(N2CCN(c3ccncc3)CC2)c(F)c1 ZINC000301157434 379206438 /nfs/dbraw/zinc/20/64/38/379206438.db2.gz RWQXDXCRTWDFQG-UHFFFAOYSA-N 0 3 282.322 2.419 20 30 CEEDHN C=CCNC(=O)CN1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000266924693 190291194 /nfs/dbraw/zinc/29/11/94/190291194.db2.gz JQGDYCRMANRKLC-HOCLYGCPSA-N 0 3 272.392 2.242 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000469376273 380070923 /nfs/dbraw/zinc/07/09/23/380070923.db2.gz BBHKPFLFJKCWFY-QKPAOTATSA-N 0 3 294.439 2.347 20 30 CEEDHN Cc1ccc2occ(CC(=O)C(C#N)C(=O)NC3CC3)c2c1 ZINC000528921611 380136455 /nfs/dbraw/zinc/13/64/55/380136455.db2.gz UNCFSWNMZQDLHH-AWEZNQCLSA-N 0 3 296.326 2.271 20 30 CEEDHN C=CCCCCCN1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000488276206 380092617 /nfs/dbraw/zinc/09/26/17/380092617.db2.gz CXQITGLCCZYSOS-CQSZACIVSA-N 0 3 265.401 2.269 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000268158176 190381489 /nfs/dbraw/zinc/38/14/89/190381489.db2.gz OBQXBLHMILXQAU-BONVTDFDSA-N 0 3 286.335 2.361 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ccc(Cl)c(C#N)n1 ZINC000268184291 190383995 /nfs/dbraw/zinc/38/39/95/190383995.db2.gz UBZKKIUPSGVVNW-ZWNOBZJWSA-N 0 3 278.787 2.383 20 30 CEEDHN CC1CC(C#N)(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000532614027 380215830 /nfs/dbraw/zinc/21/58/30/380215830.db2.gz FZLPIJHCJSRNQW-UHFFFAOYSA-N 0 3 277.412 2.307 20 30 CEEDHN C=CC1CCN(C(=O)CCN(C)c2ccncc2)CC1 ZINC000541854600 380282005 /nfs/dbraw/zinc/28/20/05/380282005.db2.gz HXSZALHSCBJDHQ-UHFFFAOYSA-N 0 3 273.380 2.333 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)c2cscc2C#N)CCN1C ZINC000334482946 380476182 /nfs/dbraw/zinc/47/61/82/380476182.db2.gz XLMJUALBCJHLDX-JQWIXIFHSA-N 0 3 277.393 2.174 20 30 CEEDHN C=CCCCCN1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000556208101 380884580 /nfs/dbraw/zinc/88/45/80/380884580.db2.gz MJTBQZUKMLRUMV-UHFFFAOYSA-N 0 3 288.457 2.089 20 30 CEEDHN C#CCCCN1CCc2c(cccc2N2CCOC2=O)C1 ZINC000494336890 381155828 /nfs/dbraw/zinc/15/58/28/381155828.db2.gz WQDGEZCPMZPOIN-UHFFFAOYSA-N 0 3 284.359 2.415 20 30 CEEDHN C=CC[C@@H](CO)CN[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000495071124 381165430 /nfs/dbraw/zinc/16/54/30/381165430.db2.gz WUOGLZIMIHCFBF-TZMCWYRMSA-N 0 3 278.400 2.200 20 30 CEEDHN CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)C(C)C#N ZINC000495758085 381184131 /nfs/dbraw/zinc/18/41/31/381184131.db2.gz CAVZTYJEKRLVDZ-STQMWFEESA-N 0 3 295.383 2.006 20 30 CEEDHN C=CCC[C@@H](O)CN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000495895588 381190785 /nfs/dbraw/zinc/19/07/85/381190785.db2.gz INANQCSASQVKSU-MJBXVCDLSA-N 0 3 298.427 2.301 20 30 CEEDHN C=C[C@@H]1CCCCN1C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496925161 381234355 /nfs/dbraw/zinc/23/43/55/381234355.db2.gz NOAWNRJNIFSHAC-KGLIPLIRSA-N 0 3 298.427 2.255 20 30 CEEDHN CN(C(=O)C1CCN(C2CC2)CC1)c1ccc(C#N)cc1 ZINC000335309787 208162475 /nfs/dbraw/zinc/16/24/75/208162475.db2.gz MBXBIOXNVLLUDK-UHFFFAOYSA-N 0 3 283.375 2.395 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)CC(=O)c1ccc(F)cc1 ZINC000347508623 533115508 /nfs/dbraw/zinc/11/55/08/533115508.db2.gz HYAPARIRHCYTCX-UWVGGRQHSA-N 0 3 262.284 2.063 20 30 CEEDHN C[C@H]1C[C@@H](CO)CCN1CCOc1ccccc1C#N ZINC000288994189 197208148 /nfs/dbraw/zinc/20/81/48/197208148.db2.gz LUVGCPADVAAKQK-KBPBESRZSA-N 0 3 274.364 2.030 20 30 CEEDHN C=CCSCCNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000171201523 335059263 /nfs/dbraw/zinc/05/92/63/335059263.db2.gz UZFQLWAHADNTOJ-CQSZACIVSA-N 0 3 299.484 2.325 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000521038651 260025256 /nfs/dbraw/zinc/02/52/56/260025256.db2.gz 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/nfs/dbraw/zinc/63/11/21/533631121.db2.gz QNZVLSUREYAMHJ-DOMZBBRYSA-N 0 3 286.379 2.357 20 30 CEEDHN N#Cc1cccc(SCCN2CCCOCC2)c1 ZINC000413004489 394459129 /nfs/dbraw/zinc/45/91/29/394459129.db2.gz ZQJPITJIALEECV-UHFFFAOYSA-N 0 3 262.378 2.373 20 30 CEEDHN CN(C)[C@H](CNC(=O)CSCCC#N)c1ccccc1 ZINC000413014811 394461201 /nfs/dbraw/zinc/46/12/01/394461201.db2.gz RAWCRDSLRPTLPH-CQSZACIVSA-N 0 3 291.420 2.052 20 30 CEEDHN N#Cc1ncc(C(F)(F)F)cc1NCCN1CCCC1 ZINC000413075433 394479442 /nfs/dbraw/zinc/47/94/42/394479442.db2.gz RPZLQZPKMMBVMU-UHFFFAOYSA-N 0 3 284.285 2.480 20 30 CEEDHN C[C@H](CN1CCCCC1)Nc1ncc(C#N)cc1F ZINC000413090811 394482343 /nfs/dbraw/zinc/48/23/43/394482343.db2.gz JMWGRIJLNJYUEQ-LLVKDONJSA-N 0 3 262.332 2.379 20 30 CEEDHN CN(C)CCN(Cc1ccccn1)c1ncc(C#N)cc1F ZINC000413205103 394503622 /nfs/dbraw/zinc/50/36/22/394503622.db2.gz PGFASRDDQFVGPG-UHFFFAOYSA-N 0 3 299.353 2.056 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccccn3)C2)cc1F ZINC000421344213 394504246 /nfs/dbraw/zinc/50/42/46/394504246.db2.gz SGAOZUOHTQXWRA-HNNXBMFYSA-N 0 3 296.349 2.461 20 30 CEEDHN CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000328919548 394557304 /nfs/dbraw/zinc/55/73/04/394557304.db2.gz LMQGDRRJMZUSNI-MCIONIFRSA-N 0 3 297.443 2.178 20 30 CEEDHN CC[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000329540699 394571829 /nfs/dbraw/zinc/57/18/29/394571829.db2.gz DAZFLLUCECDQFF-UTUOFQBUSA-N 0 3 276.384 2.349 20 30 CEEDHN O=C(NCC[C@@H]1CCOC1)[C@@H]1CCCN1C1CCOCC1 ZINC000329761027 394583752 /nfs/dbraw/zinc/58/37/52/394583752.db2.gz QYRQTRQHDLKJIL-HIFRSBDPSA-N 0 3 296.411 2.013 20 30 CEEDHN CCN1CCC(NC(=O)[C@@H]2CCn3c(C)ncc3C2)CC1 ZINC000329809859 394587050 /nfs/dbraw/zinc/58/70/50/394587050.db2.gz CFYKKIYZGUDUQM-CYBMUJFWSA-N 0 3 290.411 2.195 20 30 CEEDHN C[C@@H]1CCCC[C@H]1N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000248530158 394542464 /nfs/dbraw/zinc/54/24/64/394542464.db2.gz MGAXJGQVPMTHOZ-XNRPHZJLSA-N 0 3 277.412 2.305 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cncc(Br)c1 ZINC000320294409 394545813 /nfs/dbraw/zinc/54/58/13/394545813.db2.gz RKQQLCCOJYUUMA-LBPRGKRZSA-N 0 3 285.185 2.261 20 30 CEEDHN C=CCC[C@H](CO)NCc1cc(F)ccc1OC ZINC000320262896 394545894 /nfs/dbraw/zinc/54/58/94/394545894.db2.gz KIGVIPMAWAQCTH-CYBMUJFWSA-N 0 3 253.317 2.251 20 30 CEEDHN C=CCC[C@H](CO)NCc1cccc2c1OCCCO2 ZINC000320513586 394546649 /nfs/dbraw/zinc/54/66/49/394546649.db2.gz NFYFSFWPNWCCBF-CQSZACIVSA-N 0 3 277.364 2.265 20 30 CEEDHN CN(C[C@@H]1CCCN1C)c1nc2c(cc1C#N)CCCC2 ZINC000092631220 394661513 /nfs/dbraw/zinc/66/15/13/394661513.db2.gz AKFOTBBEFYFNFJ-HNNXBMFYSA-N 0 3 284.407 2.362 20 30 CEEDHN CN(C)CCc1ccccc1NC(=O)c1ccnc(C#N)c1 ZINC000356960892 394663456 /nfs/dbraw/zinc/66/34/56/394663456.db2.gz SEUYOQDYPNPTMG-UHFFFAOYSA-N 0 3 294.358 2.310 20 30 CEEDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc(CC#N)cc1 ZINC000334213940 394665058 /nfs/dbraw/zinc/66/50/58/394665058.db2.gz BCXUCVFSZNSLBG-CYBMUJFWSA-N 0 3 286.379 2.311 20 30 CEEDHN N#C[C@@H](c1ccccc1)N1CCN(CC2(O)CCCC2)CC1 ZINC000330367806 394601658 /nfs/dbraw/zinc/60/16/58/394601658.db2.gz GJXXJBXIPGLKGE-KRWDZBQOSA-N 0 3 299.418 2.174 20 30 CEEDHN COc1cc(C(=O)NCCN2CCC[C@@H](C)C2)cc(C)n1 ZINC000330385370 394603403 /nfs/dbraw/zinc/60/34/03/394603403.db2.gz STZGOPHHBVHYEA-GFCCVEGCSA-N 0 3 291.395 2.435 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCC[C@H]2C)CC1 ZINC000358990925 394736370 /nfs/dbraw/zinc/73/63/70/394736370.db2.gz BYOVSVIMYBPPOM-ZIAGYGMSSA-N 0 3 279.428 2.372 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](N2CCCC2=O)C1 ZINC000270826253 394739982 /nfs/dbraw/zinc/73/99/82/394739982.db2.gz CARMOVZHCVULKE-CJNGLKHVSA-N 0 3 283.375 2.316 20 30 CEEDHN CC(C)(C)N1CCCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000335131864 394741493 /nfs/dbraw/zinc/74/14/93/394741493.db2.gz ARUKIRFIXFKZPK-UONOGXRCSA-N 0 3 292.427 2.194 20 30 CEEDHN C[C@@H]1[C@@H](C)N(CCCOc2cccc(C#N)c2)CCN1C ZINC000356997687 394676221 /nfs/dbraw/zinc/67/62/21/394676221.db2.gz IVVMIECTNYUAAO-HUUCEWRRSA-N 0 3 287.407 2.352 20 30 CEEDHN CC(C)(C#N)CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000334364801 394677839 /nfs/dbraw/zinc/67/78/39/394677839.db2.gz HCHNTELKNFRSSI-UHFFFAOYSA-N 0 3 292.427 2.196 20 30 CEEDHN CC[C@@H](C(=O)NC1(C#N)CCSCC1)N(CC)CC ZINC000359686725 394772687 /nfs/dbraw/zinc/77/26/87/394772687.db2.gz WFXCZVVLWIRUSZ-LBPRGKRZSA-N 0 3 283.441 2.012 20 30 CEEDHN C[C@@H](CCCCO)NCc1ccc(C#N)cc1F ZINC000272462634 394773446 /nfs/dbraw/zinc/77/34/46/394773446.db2.gz QUNHIHQZITVEJE-NSHDSACASA-N 0 3 250.317 2.338 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000335706378 394792046 /nfs/dbraw/zinc/79/20/46/394792046.db2.gz ZSYGEMUPRIVTFU-IUODEOHRSA-N 0 3 284.359 2.356 20 30 CEEDHN C#CCC(CC#C)C(=O)NCCN1CCCC[C@H]1CC ZINC000277796538 394824883 /nfs/dbraw/zinc/82/48/83/394824883.db2.gz VHEKJIUXAPVTST-MRXNPFEDSA-N 0 3 274.408 2.030 20 30 CEEDHN COc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)nc1 ZINC000361961449 394839387 /nfs/dbraw/zinc/83/93/87/394839387.db2.gz IVYDTTFFXMUPJL-NSHDSACASA-N 0 3 292.298 2.457 20 30 CEEDHN C=C[C@H](C)NC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000362378103 394857124 /nfs/dbraw/zinc/85/71/24/394857124.db2.gz BLPLTVAUCYJNKP-RWMBFGLXSA-N 0 3 253.390 2.123 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](C)[C@H](C)C1 ZINC000362428971 394860894 /nfs/dbraw/zinc/86/08/94/394860894.db2.gz DQPMIPNIIFLBMS-MCIONIFRSA-N 0 3 277.412 2.305 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)N[C@H]1CCN(C(C)C)C1=O ZINC000285213148 394954290 /nfs/dbraw/zinc/95/42/90/394954290.db2.gz UJDQYLFRPSUXDN-IRXDYDNUSA-N 0 3 284.403 2.220 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CC3(C2)CCCC3)cc1 ZINC000364489581 394909986 /nfs/dbraw/zinc/90/99/86/394909986.db2.gz XNVSUBKSKDAHCA-OAHLLOKOSA-N 0 3 256.349 2.468 20 30 CEEDHN Cn1cc(CN2CC[C@](O)(c3ccc(F)cc3)C2)cc1C#N ZINC000365235634 394923605 /nfs/dbraw/zinc/92/36/05/394923605.db2.gz XYNVPGDTRBHBGQ-QGZVFWFLSA-N 0 3 299.349 2.129 20 30 CEEDHN N#C[C@H](NC(=O)C12CCCN1CCC2)c1ccccc1F ZINC000415384175 394926488 /nfs/dbraw/zinc/92/64/88/394926488.db2.gz UVEQZCMJHDQPME-AWEZNQCLSA-N 0 3 287.338 2.135 20 30 CEEDHN COc1ccc2c(c1)CCN(CCOCCC#N)CC2 ZINC000339054135 394939323 /nfs/dbraw/zinc/93/93/23/394939323.db2.gz NFUKRRORODCAGW-UHFFFAOYSA-N 0 3 274.364 2.026 20 30 CEEDHN CCC[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CCN1CCOC ZINC000339059739 394939824 /nfs/dbraw/zinc/93/98/24/394939824.db2.gz IULGHIKJZMCTIF-ARFHVFGLSA-N 0 3 279.428 2.111 20 30 CEEDHN CN(C)C[C@@H]1CN(CCCC#N)c2ccccc2O1 ZINC000366197753 394940258 /nfs/dbraw/zinc/94/02/58/394940258.db2.gz RVVQCWULWBEMIB-CYBMUJFWSA-N 0 3 259.353 2.119 20 30 CEEDHN C=CCOCCN[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000339077925 394941023 /nfs/dbraw/zinc/94/10/23/394941023.db2.gz ZAIPQYDATLKEOS-ZDUSSCGKSA-N 0 3 251.374 2.300 20 30 CEEDHN Cc1cc(F)ccc1CN(C)CCOCCC#N ZINC000339132105 394945505 /nfs/dbraw/zinc/94/55/05/394945505.db2.gz GIOFMZFQULQHJV-UHFFFAOYSA-N 0 3 250.317 2.496 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@](O)(C(F)(F)F)CC2)C1 ZINC000339193785 394950432 /nfs/dbraw/zinc/95/04/32/394950432.db2.gz KQZUUOUGVVNGQR-UTUOFQBUSA-N 0 3 276.302 2.458 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N(C)C1CCN(CC)CC1)OCC ZINC000339193716 394950826 /nfs/dbraw/zinc/95/08/26/394950826.db2.gz GDKIURIFXUPINU-OAHLLOKOSA-N 0 3 282.428 2.300 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000342964268 395027984 /nfs/dbraw/zinc/02/79/84/395027984.db2.gz IMCGHGCDIAFERM-DZGCQCFKSA-N 0 3 299.484 2.468 20 30 CEEDHN Cc1nsc(N2C[C@@H](N3CCCC3)C[C@H]2C)c1C#N ZINC000286237689 395017436 /nfs/dbraw/zinc/01/74/36/395017436.db2.gz FBQAAYXPTZTDEV-PWSUYJOCSA-N 0 3 276.409 2.386 20 30 CEEDHN C#CC(C)(C)N(C)CCC(=O)Nc1ccc(F)cc1 ZINC000286263701 395018457 /nfs/dbraw/zinc/01/84/57/395018457.db2.gz SWHOKECAINZCIL-UHFFFAOYSA-N 0 3 262.328 2.498 20 30 CEEDHN CCN(CC#N)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416130739 395019225 /nfs/dbraw/zinc/01/92/25/395019225.db2.gz INHPNLRGBPLDHV-AWEZNQCLSA-N 0 3 259.353 2.051 20 30 CEEDHN COc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3O)cc1C#N ZINC000370871969 395019857 /nfs/dbraw/zinc/01/98/57/395019857.db2.gz FJWJTYWOTQIWEF-VMZNBEPHSA-N 0 3 286.375 2.160 20 30 CEEDHN C=C(C)[C@@H](CC(=O)NC1CCN(C2CC2)CC1)OCC ZINC000339435778 394960311 /nfs/dbraw/zinc/96/03/11/394960311.db2.gz COQTXKDHXUMPHI-OAHLLOKOSA-N 0 3 280.412 2.101 20 30 CEEDHN C=C(C)CCN1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000285630894 394961184 /nfs/dbraw/zinc/96/11/84/394961184.db2.gz AEDCYOGCHCMWND-NSHDSACASA-N 0 3 265.275 2.380 20 30 CEEDHN CCCN(CC(=O)NCC#N)[C@@H](CC)c1ccccc1 ZINC000343035041 395030205 /nfs/dbraw/zinc/03/02/05/395030205.db2.gz QESMWEDTLPGXEW-HNNXBMFYSA-N 0 3 273.380 2.489 20 30 CEEDHN C#CCCN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000372850952 395048386 /nfs/dbraw/zinc/04/83/86/395048386.db2.gz UNVDXBFCLIEXBV-RHSMWYFYSA-N 0 3 285.391 2.399 20 30 CEEDHN C=C(CNC(=O)[C@@H](C(C)C)N(C)C)c1ccccc1 ZINC000288004113 395052286 /nfs/dbraw/zinc/05/22/86/395052286.db2.gz BYIOTIKFQAZKTO-OAHLLOKOSA-N 0 3 260.381 2.402 20 30 CEEDHN C[C@H](CC#N)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000373035524 395052418 /nfs/dbraw/zinc/05/24/18/395052418.db2.gz MZWWBLAUAQBPNH-TZMCWYRMSA-N 0 3 263.385 2.202 20 30 CEEDHN C[C@@H](CNc1c(C#N)cccc1[N+](=O)[O-])N(C)C1CC1 ZINC000425233409 395053104 /nfs/dbraw/zinc/05/31/04/395053104.db2.gz XDBNYRYOOALSDP-JTQLQIEISA-N 0 3 274.324 2.361 20 30 CEEDHN N#CCOc1ccc(CN[C@H]2CCCc3n[nH]cc32)cc1 ZINC000375838135 395100272 /nfs/dbraw/zinc/10/02/72/395100272.db2.gz ITCMIRARXUHINS-HNNXBMFYSA-N 0 3 282.347 2.479 20 30 CEEDHN N#CCCCCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000373230488 395056944 /nfs/dbraw/zinc/05/69/44/395056944.db2.gz ULENXLGUMMOESH-ZDUSSCGKSA-N 0 3 296.367 2.328 20 30 CEEDHN Cc1nc(C)n([C@@H]2CCCN(CCC(C)(C)C#N)C2)n1 ZINC000375831586 395100443 /nfs/dbraw/zinc/10/04/43/395100443.db2.gz NZFOIECXIDGQAN-CQSZACIVSA-N 0 3 275.400 2.472 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000345749559 395075569 /nfs/dbraw/zinc/07/55/69/395075569.db2.gz LLPAAXFXVGMTHQ-MRVPVSSYSA-N 0 3 299.143 2.407 20 30 CEEDHN CC(C)(C)CCN1CCN(C(=O)NCCCC#N)CC1 ZINC000345823994 395079165 /nfs/dbraw/zinc/07/91/65/395079165.db2.gz ZEGFTBHGQYTRKU-UHFFFAOYSA-N 0 3 280.416 2.054 20 30 CEEDHN CC(C#N)C(=O)NC(C)(C)c1cc(C(F)(F)F)on1 ZINC000346013312 395084510 /nfs/dbraw/zinc/08/45/10/395084510.db2.gz IPENZTXXJKSICA-LURJTMIESA-N 0 3 275.230 2.204 20 30 CEEDHN C#CCOCCC(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000166917267 395087406 /nfs/dbraw/zinc/08/74/06/395087406.db2.gz ZDMVRYFSRFWIAQ-MRXNPFEDSA-N 0 3 298.386 2.038 20 30 CEEDHN C#Cc1ccc(CN[C@H]2CCO[C@@H]2c2nccn2C)cc1 ZINC000289911251 395090876 /nfs/dbraw/zinc/09/08/76/395090876.db2.gz XYIMWBQAXDGKQI-HOTGVXAUSA-N 0 3 281.359 2.021 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](n2cncn2)C1 ZINC000375332097 395092106 /nfs/dbraw/zinc/09/21/06/395092106.db2.gz KEDZVYLBPWANGW-SWLSCSKDSA-N 0 3 267.336 2.158 20 30 CEEDHN C=CCOCCCN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346242226 395092707 /nfs/dbraw/zinc/09/27/07/395092707.db2.gz RRYXIBHXRQDDSY-ZDUSSCGKSA-N 0 3 277.368 2.329 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N(C)CC1CCCC1 ZINC000346259839 395092826 /nfs/dbraw/zinc/09/28/26/395092826.db2.gz KWVLJWXSBAYLIV-GFCCVEGCSA-N 0 3 263.385 2.059 20 30 CEEDHN COc1ccccc1O[C@H]1CCCN(C(=O)C(C)C#N)C1 ZINC000343108124 395031802 /nfs/dbraw/zinc/03/18/02/395031802.db2.gz YFPSZHCGZNEKLB-OLZOCXBDSA-N 0 3 288.347 2.225 20 30 CEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)C#Cc1ccccc1 ZINC000287037601 395032884 /nfs/dbraw/zinc/03/28/84/395032884.db2.gz ISOUNLLBXLGODI-NVXWUHKLSA-N 0 3 282.387 2.123 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccnc3ccncc32)CC1 ZINC000287227229 395036403 /nfs/dbraw/zinc/03/64/03/395036403.db2.gz AHFRIXWBZXDGAE-UHFFFAOYSA-N 0 3 296.374 2.010 20 30 CEEDHN N#CCCCCN[C@@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000372227813 395037406 /nfs/dbraw/zinc/03/74/06/395037406.db2.gz PBHIMETVTZUIKT-CYBMUJFWSA-N 0 3 296.367 2.328 20 30 CEEDHN CC(C)(C#N)CCN1CCN([C@@H]2CCSC2)CC1 ZINC000372255064 395038002 /nfs/dbraw/zinc/03/80/02/395038002.db2.gz JRDOQXAPBWZEMF-CYBMUJFWSA-N 0 3 267.442 2.049 20 30 CEEDHN C#Cc1ccc(CN(C)CCOCCCOC)cc1 ZINC000290338587 395099342 /nfs/dbraw/zinc/09/93/42/395099342.db2.gz KWOXXOGNZXBGBZ-UHFFFAOYSA-N 0 3 261.365 2.153 20 30 CEEDHN CC(C#N)C(=O)NCCc1nc2ccccc2n1C(F)F ZINC000346926907 395113865 /nfs/dbraw/zinc/11/38/65/395113865.db2.gz YWSRLFDMJYUQNB-SECBINFHSA-N 0 3 292.289 2.250 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCCCC(C)(C)C1 ZINC000346969856 395115070 /nfs/dbraw/zinc/11/50/70/395115070.db2.gz GDPYCYNTMMCWNZ-ZDUSSCGKSA-N 0 3 277.412 2.449 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC000428030247 395132574 /nfs/dbraw/zinc/13/25/74/395132574.db2.gz COWMFIHJBBAHFS-CQSZACIVSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000428038636 395134214 /nfs/dbraw/zinc/13/42/14/395134214.db2.gz OPBCITVTHUYBOP-MELADBBJSA-N 0 3 250.386 2.426 20 30 CEEDHN C=CCOc1cccc(NC(=O)N[C@H](C)CN(C)C)c1 ZINC000349176608 395160917 /nfs/dbraw/zinc/16/09/17/395160917.db2.gz NSHDKNYJMPZMHA-GFCCVEGCSA-N 0 3 277.368 2.323 20 30 CEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cscc1C#N ZINC000432879065 395181741 /nfs/dbraw/zinc/18/17/41/395181741.db2.gz NWQWLLFBWBZFGT-RYUDHWBXSA-N 0 3 291.420 2.470 20 30 CEEDHN COc1ccc(NC(=O)C(C#N)c2nc(C)cs2)cn1 ZINC000505733541 395167645 /nfs/dbraw/zinc/16/76/45/395167645.db2.gz MCEVNJPNIUERMG-JTQLQIEISA-N 0 3 288.332 2.101 20 30 CEEDHN C[NH+](C)[C@H]1CCC[C@H](/N=C/c2ccc(O)c([O-])c2O)C1 ZINC000178704561 395171977 /nfs/dbraw/zinc/17/19/77/395171977.db2.gz NOZIQSHSWRNAGT-STQKSKDHSA-N 0 3 278.352 2.095 20 30 CEEDHN C#CCNC(=O)CCN1CCC[C@@H]1c1cccc(F)c1 ZINC000293315691 395228374 /nfs/dbraw/zinc/22/83/74/395228374.db2.gz CBVCLFOPJQINRJ-OAHLLOKOSA-N 0 3 274.339 2.102 20 30 CEEDHN CCc1ccc(C#CC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000293459856 395236443 /nfs/dbraw/zinc/23/64/43/395236443.db2.gz LDLQPCJXTASPEY-ZWKOTPCHSA-N 0 3 296.414 2.153 20 30 CEEDHN C=CCOCCN1CCN(CCc2cccs2)CC1 ZINC000293499023 395237817 /nfs/dbraw/zinc/23/78/17/395237817.db2.gz NOBLURPHOFCBBF-UHFFFAOYSA-N 0 3 280.437 2.111 20 30 CEEDHN CC(C)(C)N1CCCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000520317338 395245794 /nfs/dbraw/zinc/24/57/94/395245794.db2.gz UOVAJZLASPGEOO-UHFFFAOYSA-N 0 3 292.427 2.196 20 30 CEEDHN C[C@@H]1CN(CCO)[C@@H](C)CN1c1ccc(C#N)c(Cl)c1 ZINC000419010898 395246035 /nfs/dbraw/zinc/24/60/35/395246035.db2.gz YZIUEGTZPCZRSA-NWDGAFQWSA-N 0 3 293.798 2.103 20 30 CEEDHN C=CCNC(=O)C(C)S(=O)(=O)C1CCC(C)(C)CC1 ZINC000350224394 395183203 /nfs/dbraw/zinc/18/32/03/395183203.db2.gz VRVUUZDJFXSBFO-LLVKDONJSA-N 0 3 287.425 2.061 20 30 CEEDHN Cc1ccccc1[C@H]([C@@H](C)Nc1ccnc(C#N)n1)N(C)C ZINC000516785827 395183779 /nfs/dbraw/zinc/18/37/79/395183779.db2.gz XLYAESLXHGWILR-DYVFJYSZSA-N 0 3 295.390 2.182 20 30 CEEDHN CC(C)N1CCN(c2cccc(-n3cccn3)c2C#N)CC1 ZINC000519645635 395202796 /nfs/dbraw/zinc/20/27/96/395202796.db2.gz GYWMHWAERWBRQP-UHFFFAOYSA-N 0 3 295.390 2.274 20 30 CEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C1(C#N)CC(C)C1 ZINC000519711565 395212704 /nfs/dbraw/zinc/21/27/04/395212704.db2.gz WOICWHQEOUFPLY-MFOWVQHXSA-N 0 3 277.412 2.115 20 30 CEEDHN C=CCC[C@H](O)CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000352431193 395252909 /nfs/dbraw/zinc/25/29/09/395252909.db2.gz JPWMPDKUGYWDLB-RRFJBIMHSA-N 0 3 265.397 2.347 20 30 CEEDHN N#Cc1nc(NC[C@H]2CCN2C2CCCC2)ccc1Cl ZINC000528206829 395287637 /nfs/dbraw/zinc/28/76/37/395287637.db2.gz FSFDRCTYQLTFAJ-GFCCVEGCSA-N 0 3 290.798 2.457 20 30 CEEDHN C=CC1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528379829 395290011 /nfs/dbraw/zinc/29/00/11/395290011.db2.gz LURCIPOSTDSFIW-MRXNPFEDSA-N 0 3 286.375 2.196 20 30 CEEDHN C=CCN(C(=O)NC[C@H]1CCCCN1C1CC1)C1CC1 ZINC000434352149 395292499 /nfs/dbraw/zinc/29/24/99/395292499.db2.gz MXQZIDHOPPJAHW-OAHLLOKOSA-N 0 3 277.412 2.363 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000353284326 395293070 /nfs/dbraw/zinc/29/30/70/395293070.db2.gz BHWAZWGQWZZGHI-MRXNPFEDSA-N 0 3 255.365 2.227 20 30 CEEDHN COC(=O)[C@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000411187107 395320945 /nfs/dbraw/zinc/32/09/45/395320945.db2.gz ZGVHAVDIIYHVKU-ZDUSSCGKSA-N 0 3 264.369 2.345 20 30 CEEDHN CCCN(CCC)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000411170529 395321522 /nfs/dbraw/zinc/32/15/22/395321522.db2.gz XONHHTBJVIBYMJ-AWEZNQCLSA-N 0 3 259.353 2.207 20 30 CEEDHN C#CCOc1ccccc1CN1CCC[C@@H](O)CC1 ZINC000293872843 395255148 /nfs/dbraw/zinc/25/51/48/395255148.db2.gz CQOKGTNLYUGXGY-OAHLLOKOSA-N 0 3 259.349 2.045 20 30 CEEDHN C#CCNC(=O)CCN1CC=C(c2cccc(C)c2)CC1 ZINC000293866490 395255186 /nfs/dbraw/zinc/25/51/86/395255186.db2.gz SJEXXNMOCISTNI-UHFFFAOYSA-N 0 3 282.387 2.224 20 30 CEEDHN CN1CCC(NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000183483928 395257875 /nfs/dbraw/zinc/25/78/75/395257875.db2.gz VRVJQLLDPNOAPE-UHFFFAOYSA-N 0 3 283.375 2.066 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cccc2ccc(C)nc21 ZINC000293915004 395258025 /nfs/dbraw/zinc/25/80/25/395258025.db2.gz GLIZCWLXFGHLDD-UHFFFAOYSA-N 0 3 295.386 2.228 20 30 CEEDHN Cc1nccn1CCCCN1CCC(F)(C#N)CC1 ZINC000352491575 395260120 /nfs/dbraw/zinc/26/01/20/395260120.db2.gz RJUIMTRNEJLBMQ-UHFFFAOYSA-N 0 3 264.348 2.299 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nc(C#N)cs1 ZINC000352888444 395273877 /nfs/dbraw/zinc/27/38/77/395273877.db2.gz GZHBBZCTJMZTJX-GXFFZTMASA-N 0 3 263.366 2.086 20 30 CEEDHN CN(C[C@@H]1CCCN1C)c1ncc(C#N)cc1Cl ZINC000420643371 395400089 /nfs/dbraw/zinc/40/00/89/395400089.db2.gz XGTNZZIRKASERQ-NSHDSACASA-N 0 3 264.760 2.137 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NC[C@@H]2COc3ccccc3O2)C1 ZINC000442643132 395388692 /nfs/dbraw/zinc/38/86/92/395388692.db2.gz FTPISTOALVXICV-JHJVBQTASA-N 0 3 258.321 2.108 20 30 CEEDHN Cc1cccc(C(=O)NCCN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442708839 395391001 /nfs/dbraw/zinc/39/10/01/395391001.db2.gz LTPMJEZWFSCMEU-HIFRSBDPSA-N 0 3 271.364 2.007 20 30 CEEDHN C[C@@H](CCC#N)N1CCSC2(CCOCC2)C1 ZINC000411539447 395329993 /nfs/dbraw/zinc/32/99/93/395329993.db2.gz CTBQSURGJFIPHC-LBPRGKRZSA-N 0 3 254.399 2.277 20 30 CEEDHN CN(CC(=O)NCC#N)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000412015442 395345543 /nfs/dbraw/zinc/34/55/43/395345543.db2.gz SMLMJEROXZVWJQ-HZPDHXFCSA-N 0 3 285.391 2.284 20 30 CEEDHN C=CCOc1ccccc1C(=O)N[C@@H]1CCCN(CC)C1 ZINC000194654940 395445101 /nfs/dbraw/zinc/44/51/01/395445101.db2.gz AZBHJFNYSCBXBV-CQSZACIVSA-N 0 3 288.391 2.466 20 30 CEEDHN CCNC(=O)[C@@H](C)N[C@H](CC)c1ccc(C#N)cc1 ZINC000447513145 395505444 /nfs/dbraw/zinc/50/54/44/395505444.db2.gz SWSFXOHUKMEACM-BXUZGUMPSA-N 0 3 259.353 2.124 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000448705025 395532456 /nfs/dbraw/zinc/53/24/56/395532456.db2.gz RGJIEJGZZKMWCK-RYUDHWBXSA-N 0 3 288.395 2.045 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc2ccncc21 ZINC000573447218 395609308 /nfs/dbraw/zinc/60/93/08/395609308.db2.gz CAPFTMSSVFXQJL-CYBMUJFWSA-N 0 3 268.320 2.194 20 30 CEEDHN CC(C)[C@@H](NCc1nc(C#N)cs1)[C@@H](CO)C(C)C ZINC000449512731 395552155 /nfs/dbraw/zinc/55/21/55/395552155.db2.gz QBQBGLVQMKYGMV-GXTWGEPZSA-N 0 3 281.425 2.393 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(O)c1OC ZINC000449548539 395554234 /nfs/dbraw/zinc/55/42/34/395554234.db2.gz OJXUJMYXHAZCOI-OCCSQVGLSA-N 0 3 263.337 2.224 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000449737901 395560198 /nfs/dbraw/zinc/56/01/98/395560198.db2.gz VROJEQNQSKVZJZ-BDJLRTHQSA-N 0 3 273.355 2.270 20 30 CEEDHN CC(C)[C@@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])CCN1C ZINC000450480964 395572179 /nfs/dbraw/zinc/57/21/79/395572179.db2.gz VIMRLHKSQUPDQW-AWEZNQCLSA-N 0 3 288.351 2.243 20 30 CEEDHN COc1ccccc1N1CC[C@@H](CNCCC#N)C1 ZINC000569803097 395580602 /nfs/dbraw/zinc/58/06/02/395580602.db2.gz CBENKBLIVDGSMI-ZDUSSCGKSA-N 0 3 259.353 2.025 20 30 CEEDHN Cc1ccnc(N(C)[C@H]2CCN(C(C)C)C2)c1C#N ZINC000450952977 395581739 /nfs/dbraw/zinc/58/17/39/395581739.db2.gz JXCRHOGPQOXOKO-ZDUSSCGKSA-N 0 3 258.369 2.181 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000571909979 395585095 /nfs/dbraw/zinc/58/50/95/395585095.db2.gz JVHNPUGQNZQWES-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@H](OC)[C@@H](C)C1 ZINC000451580345 395623450 /nfs/dbraw/zinc/62/34/50/395623450.db2.gz ZQUIMCITQLQPIH-WFASDCNBSA-N 0 3 274.364 2.424 20 30 CEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1ccc(C#N)o1 ZINC000452341818 395626265 /nfs/dbraw/zinc/62/62/65/395626265.db2.gz FQXRXEJCIVXWJY-ZDUSSCGKSA-N 0 3 289.379 2.392 20 30 CEEDHN CNC(=O)C[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000453370256 395628149 /nfs/dbraw/zinc/62/81/49/395628149.db2.gz NFTCFQOYUOTNHC-XHDPSFHLSA-N 0 3 271.364 2.050 20 30 CEEDHN Cc1nc(N2CCN(C)[C@H](C(C)C)C2)ccc1C#N ZINC000487754099 395667526 /nfs/dbraw/zinc/66/75/26/395667526.db2.gz WAAKLUJCNLRHPL-AWEZNQCLSA-N 0 3 258.369 2.038 20 30 CEEDHN Cc1cc(CN2CC[C@@H](CN3CCOCC3)C2)ccc1C#N ZINC000488423118 395668266 /nfs/dbraw/zinc/66/82/66/395668266.db2.gz VRGOQRZFNMFUOL-KRWDZBQOSA-N 0 3 299.418 2.021 20 30 CEEDHN C[C@@H]1C[C@@H]1N1CCN(c2cnccc2C#N)C[C@@H](C)C1 ZINC000488737891 395668418 /nfs/dbraw/zinc/66/84/18/395668418.db2.gz SHJXUFYHVPYARY-GUTXKFCHSA-N 0 3 270.380 2.120 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000491895885 395670837 /nfs/dbraw/zinc/67/08/37/395670837.db2.gz RBYUMHDOIAGRML-DOOKAGJSSA-N 0 3 297.402 2.372 20 30 CEEDHN CC#CCCCC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000648997522 396038140 /nfs/dbraw/zinc/03/81/40/396038140.db2.gz RGUQZEXIPIAEHX-AWEZNQCLSA-N 0 3 250.386 2.123 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(OC2CCCC2)CC1 ZINC000649273595 396110499 /nfs/dbraw/zinc/11/04/99/396110499.db2.gz AUFKXCBYAZRQCX-OAHLLOKOSA-N 0 3 253.386 2.347 20 30 CEEDHN C=CCOc1ccccc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646924447 396391708 /nfs/dbraw/zinc/39/17/08/396391708.db2.gz IIRLWOOZBPJKGF-UKRRQHHQSA-N 0 3 286.375 2.028 20 30 CEEDHN C=CCCCCCN(C)CC(=O)NCC(F)(F)F ZINC000150903617 400281812 /nfs/dbraw/zinc/28/18/12/400281812.db2.gz KGUJERSHRLTUMD-UHFFFAOYSA-N 0 3 266.307 2.343 20 30 CEEDHN N#Cc1ccc(C2=CCN(CCC3OCCO3)CC2)cc1 ZINC000328587840 400343278 /nfs/dbraw/zinc/34/32/78/400343278.db2.gz AKALKUOCNMNRKE-UHFFFAOYSA-N 0 3 284.359 2.410 20 30 CEEDHN C[C@H](CCO)N(C)CC#Cc1cccc(Cl)c1 ZINC000649869584 400734749 /nfs/dbraw/zinc/73/47/49/400734749.db2.gz HNUWYVJOFQZJGR-GFCCVEGCSA-N 0 3 251.757 2.394 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(F)c(OC)cc1OC ZINC000651822018 401399601 /nfs/dbraw/zinc/39/96/01/401399601.db2.gz HFXVJBQTRSOYTC-OLZOCXBDSA-N 0 3 281.327 2.276 20 30 CEEDHN C[C@@H](C(=O)N(C)CCN1CCCC1)c1cccc(C#N)c1 ZINC000360139374 155226397 /nfs/dbraw/zinc/22/63/97/155226397.db2.gz CRDKERQAKGOEQT-CQSZACIVSA-N 0 3 285.391 2.216 20 30 CEEDHN C[C@H](C(=O)N1C[C@@H]2CCCN2C[C@H]1C)c1cccc(C#N)c1 ZINC000360188566 155240528 /nfs/dbraw/zinc/24/05/28/155240528.db2.gz MSDXEIMUHGETGC-KEYYUXOJSA-N 0 3 297.402 2.357 20 30 CEEDHN CO[C@@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000282434936 154161824 /nfs/dbraw/zinc/16/18/24/154161824.db2.gz RNNFPPPRSNRVFZ-MAZHCROVSA-N 0 3 274.364 2.091 20 30 CEEDHN C[C@H]1C[C@H](C)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000334832008 154236146 /nfs/dbraw/zinc/23/61/46/154236146.db2.gz OYNALSRAZOPJLE-RYUDHWBXSA-N 0 3 254.337 2.436 20 30 CEEDHN Cc1nnc(N2CCC[C@@H](N3CCCCC3)C2)c(C#N)c1C ZINC000363395758 156025725 /nfs/dbraw/zinc/02/57/25/156025725.db2.gz MUYJREAYXWFNFM-OAHLLOKOSA-N 0 3 299.422 2.420 20 30 CEEDHN COC(=O)[C@]1(C)CN(Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000367103213 156134072 /nfs/dbraw/zinc/13/40/72/156134072.db2.gz ZHGGZIKZYCQZHU-BDJLRTHQSA-N 0 3 290.338 2.328 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CCC[C@@H](C3CC3)C2)c1 ZINC000367307003 156164155 /nfs/dbraw/zinc/16/41/55/156164155.db2.gz CJMOSHFYXPPXOO-QGZVFWFLSA-N 0 3 297.402 2.296 20 30 CEEDHN CC(C)[C@]1(CO)CCN(Cc2cccc(C#N)c2)C1 ZINC000368099152 156284223 /nfs/dbraw/zinc/28/42/23/156284223.db2.gz MIFDTTGQPDEICA-MRXNPFEDSA-N 0 3 258.365 2.399 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN2CCOCC3(CCC3)C2)cc1 ZINC000375197596 157062283 /nfs/dbraw/zinc/06/22/83/157062283.db2.gz OHZNEXGCHIVGCY-INIZCTEOSA-N 0 3 286.375 2.094 20 30 CEEDHN N#Cc1cnc(NC2CCN(Cc3cccs3)CC2)cn1 ZINC000375375521 157089538 /nfs/dbraw/zinc/08/95/38/157089538.db2.gz FYGPNQAPTVSGEE-UHFFFAOYSA-N 0 3 299.403 2.486 20 30 CEEDHN C[C@@H](F)CCN1CCCN(c2ncccc2C#N)CC1 ZINC000375710670 157127367 /nfs/dbraw/zinc/12/73/67/157127367.db2.gz MLWHHQGNBIGFMZ-CYBMUJFWSA-N 0 3 276.359 2.213 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000172068022 162398564 /nfs/dbraw/zinc/39/85/64/162398564.db2.gz UZSRYTYZFSUDTR-SJORKVTESA-N 0 3 264.328 2.306 20 30 CEEDHN CO[C@H]1C[C@@H](N(C)CCOc2cccc(C#N)c2)C1 ZINC000285268733 196237158 /nfs/dbraw/zinc/23/71/58/196237158.db2.gz DQAINGXDOQCKSI-OTVXOJSOSA-N 0 3 260.337 2.046 20 30 CEEDHN CN(CCOc1ccccc1C#N)[C@@H]1CCSC1 ZINC000037174827 173009826 /nfs/dbraw/zinc/00/98/26/173009826.db2.gz SLIUENXYQDBEPB-CYBMUJFWSA-N 0 3 262.378 2.374 20 30 CEEDHN CN(C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCSC1 ZINC000037174820 173009926 /nfs/dbraw/zinc/00/99/26/173009926.db2.gz XMBZUTWSADQRHA-ZIAGYGMSSA-N 0 3 262.378 2.029 20 30 CEEDHN C[C@@H](Cn1ccnc1)N[C@@H](C)c1cccc(C#N)c1 ZINC000037320410 173120945 /nfs/dbraw/zinc/12/09/45/173120945.db2.gz KABJXLYUWGWMOG-STQMWFEESA-N 0 3 254.337 2.494 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@@H](CC)[C@H]1CCCCO1 ZINC000653881318 414773349 /nfs/dbraw/zinc/77/33/49/414773349.db2.gz WCTUBDAEONLTHC-LSDHHAIUSA-N 0 3 280.412 2.124 20 30 CEEDHN C=CCN(C(=O)[C@H](C)[C@H](N)c1ccccc1)[C@@H](C)COC ZINC000662855052 414775763 /nfs/dbraw/zinc/77/57/63/414775763.db2.gz QFKWTPFSHPFZTN-LZWOXQAQSA-N 0 3 290.407 2.372 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000660598420 414891609 /nfs/dbraw/zinc/89/16/09/414891609.db2.gz YRSQXMDTPGGXPL-ZIAGYGMSSA-N 0 3 277.412 2.078 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000663506621 414974879 /nfs/dbraw/zinc/97/48/79/414974879.db2.gz MIZJJMYLCSHVCD-HUUCEWRRSA-N 0 3 264.344 2.123 20 30 CEEDHN C=CCCn1cc(CNCC2CCC(F)CC2)nn1 ZINC000657499208 414978017 /nfs/dbraw/zinc/97/80/17/414978017.db2.gz BCMOSXVISIOFAG-UHFFFAOYSA-N 0 3 266.364 2.472 20 30 CEEDHN C=C(CC)CNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654586603 414981687 /nfs/dbraw/zinc/98/16/87/414981687.db2.gz WJHJRSVUDFSPMZ-KGLIPLIRSA-N 0 3 265.401 2.269 20 30 CEEDHN C=C(C)CN(C)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654732424 415021109 /nfs/dbraw/zinc/02/11/09/415021109.db2.gz ZCFLUCDEYZMQSJ-ZIAGYGMSSA-N 0 3 265.401 2.221 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)N(C)C1CC1 ZINC000660854822 415008188 /nfs/dbraw/zinc/00/81/88/415008188.db2.gz FAKQTOWAJBNGLE-AEGPPILISA-N 0 3 277.412 2.362 20 30 CEEDHN C=CCN(C[C@H](O)COc1ccccc1C)[C@@H](C)COC ZINC000661246281 415157068 /nfs/dbraw/zinc/15/70/68/415157068.db2.gz HYWDUKAGDBXLRX-HOTGVXAUSA-N 0 3 293.407 2.258 20 30 CEEDHN C=CCN1CCC(NC(=O)N(CC)[C@@H](C)CC)CC1 ZINC000664020780 415127485 /nfs/dbraw/zinc/12/74/85/415127485.db2.gz UGAXBJORDXFBJY-ZDUSSCGKSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CC[C@@H]1CCCN(C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000661383435 415236881 /nfs/dbraw/zinc/23/68/81/415236881.db2.gz CVJXEPYDOZUVCX-ZIAGYGMSSA-N 0 3 271.426 2.099 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661402998 415244323 /nfs/dbraw/zinc/24/43/23/415244323.db2.gz ITLMUARNFNQLQO-LBPRGKRZSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)NCC(C)C)C1 ZINC000661378665 415230238 /nfs/dbraw/zinc/23/02/38/415230238.db2.gz JZQGQRWKLCXCEN-KBPBESRZSA-N 0 3 252.402 2.435 20 30 CEEDHN C=C(C)CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659041339 415397304 /nfs/dbraw/zinc/39/73/04/415397304.db2.gz HLXAOTTZXWEBNY-CQSZACIVSA-N 0 3 275.352 2.045 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000661856837 415503799 /nfs/dbraw/zinc/50/37/99/415503799.db2.gz PMFYALGVPWJFOH-ILXRZTDVSA-N 0 3 280.412 2.075 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000661856838 415502299 /nfs/dbraw/zinc/50/22/99/415502299.db2.gz PMFYALGVPWJFOH-QLFBSQMISA-N 0 3 280.412 2.075 20 30 CEEDHN C=CCC[C@@H](O)CN1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664869758 415506288 /nfs/dbraw/zinc/50/62/88/415506288.db2.gz YGLXHOPZMPNNQD-CYBMUJFWSA-N 0 3 263.385 2.121 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1CSCCN1 ZINC000659329794 415521952 /nfs/dbraw/zinc/52/19/52/415521952.db2.gz RRGMXZCBPCLPHK-RDBSUJKOSA-N 0 3 282.453 2.333 20 30 CEEDHN C=CCN(C(=O)C[C@@H]1NCc2ccccc21)[C@H](C)COC ZINC000659339701 415529037 /nfs/dbraw/zinc/52/90/37/415529037.db2.gz KNPSJNUILVIMDE-CJNGLKHVSA-N 0 3 288.391 2.271 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000664957498 415536428 /nfs/dbraw/zinc/53/64/28/415536428.db2.gz PUQOASVWEGPQEE-CYBMUJFWSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](C2CCC2)C1 ZINC000662041098 415591989 /nfs/dbraw/zinc/59/19/89/415591989.db2.gz XZWQRRQXEBEUOY-TZMCWYRMSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCN(CCc1ccccc1)C[C@H](COC)OC ZINC000659856212 415738541 /nfs/dbraw/zinc/73/85/41/415738541.db2.gz ABOWMJGCOUGBPO-MRXNPFEDSA-N 0 3 263.381 2.379 20 30 CEEDHN C=C(C)CN(CC)CCN1C(=O)c2ccccc2C1=O ZINC000078491256 177346491 /nfs/dbraw/zinc/34/64/91/177346491.db2.gz PSMHFFBHTDKMDC-UHFFFAOYSA-N 0 3 272.348 2.181 20 30 CEEDHN C=C(C)CN(CC)Cc1cc(=O)n2ccccc2n1 ZINC000078514888 177348768 /nfs/dbraw/zinc/34/87/68/177348768.db2.gz PLNUKGALELMGGH-UHFFFAOYSA-N 0 3 257.337 2.093 20 30 CEEDHN C=CCN1CCC(NC(=O)NCc2ccccc2)CC1 ZINC000078543799 177352194 /nfs/dbraw/zinc/35/21/94/177352194.db2.gz CRXJMRUCTVIFQT-UHFFFAOYSA-N 0 3 273.380 2.136 20 30 CEEDHN N#CCCCOc1cccc(CNCCN2CCC2)c1 ZINC000344853811 225181222 /nfs/dbraw/zinc/18/12/22/225181222.db2.gz ZOTPCKBZUCGLIE-UHFFFAOYSA-N 0 3 273.380 2.164 20 30 CEEDHN CC(C#N)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000334672856 225243201 /nfs/dbraw/zinc/24/32/01/225243201.db2.gz QNRUCOPBCOSEON-GFCCVEGCSA-N 0 3 291.782 2.144 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000566858603 299027291 /nfs/dbraw/zinc/02/72/91/299027291.db2.gz RYKOESJYSQRJDC-JSGCOSHPSA-N 0 3 289.335 2.107 20 30 CEEDHN CC(C#N)C(=O)NCCCCOCCc1ccccc1 ZINC000347063300 226010712 /nfs/dbraw/zinc/01/07/12/226010712.db2.gz HFXYVTHYKRGBNQ-AWEZNQCLSA-N 0 3 274.364 2.302 20 30 CEEDHN COCc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354472311 227005759 /nfs/dbraw/zinc/00/57/59/227005759.db2.gz OSMPUFCPEOSBTH-CYBMUJFWSA-N 0 3 267.288 2.113 20 30 CEEDHN C[NH+](C)CC1CCC(NC(=O)c2csc(=O)[n-]2)CC1 ZINC000329980152 228005133 /nfs/dbraw/zinc/00/51/33/228005133.db2.gz KTRHFYTWIZHOIF-UHFFFAOYSA-N 0 3 283.397 2.274 20 30 CEEDHN Cc1nccc(CNC(=O)C2CCN(C3CC3)CC2)n1 ZINC000330270330 228087342 /nfs/dbraw/zinc/08/73/42/228087342.db2.gz TZBOCDGMKSXWMI-UHFFFAOYSA-N 0 3 274.368 2.116 20 30 CEEDHN Cc1cc(CNC(=O)C(C#N)CCc2ccccc2)n(C)n1 ZINC000356027339 228092450 /nfs/dbraw/zinc/09/24/50/228092450.db2.gz ALPCSFVVLZHBJY-OAHLLOKOSA-N 0 3 296.374 2.117 20 30 CEEDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCC1(C#N)CC1 ZINC000331955689 228141268 /nfs/dbraw/zinc/14/12/68/228141268.db2.gz KPQHMIXESWQCGD-AAEUAGOBSA-N 0 3 250.342 2.002 20 30 CEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)c1ccncn1 ZINC000352322878 228220012 /nfs/dbraw/zinc/22/00/12/228220012.db2.gz VBAPAHBTMOLMES-NSHDSACASA-N 0 3 272.695 2.376 20 30 CEEDHN C=CCCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000665942035 419485389 /nfs/dbraw/zinc/48/53/89/419485389.db2.gz BCKOWNAUHFAWGD-AWEZNQCLSA-N 0 3 279.359 2.304 20 30 CEEDHN C=C[C@@](C)(O)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000666347124 419635763 /nfs/dbraw/zinc/63/57/63/419635763.db2.gz NQBCUIAUJHOADM-DZGCQCFKSA-N 0 3 296.436 2.184 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](N)C(C)C ZINC000297392036 260125719 /nfs/dbraw/zinc/12/57/19/260125719.db2.gz OGGJJDJWIFANAB-HNNXBMFYSA-N 0 3 276.380 2.193 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N(C)CCCc1ccc(OC)cc1 ZINC000299039088 260170916 /nfs/dbraw/zinc/17/09/16/260170916.db2.gz JFWHZDLPZVOODH-CQSZACIVSA-N 0 3 290.407 2.250 20 30 CEEDHN C=CCOc1cccc(NC(=O)NC[C@@H]2CCCN2C)c1 ZINC000299233508 260174815 /nfs/dbraw/zinc/17/48/15/260174815.db2.gz FWJGGEAEMJRKFF-AWEZNQCLSA-N 0 3 289.379 2.467 20 30 CEEDHN COc1ccccc1[C@H](CNC(=O)C(C)C#N)OC(C)C ZINC000354312695 260191718 /nfs/dbraw/zinc/19/17/18/260191718.db2.gz PYJHLGRKXCYILZ-WFASDCNBSA-N 0 3 290.363 2.437 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CC1CCC1 ZINC000111298488 260267865 /nfs/dbraw/zinc/26/78/65/260267865.db2.gz UTLQIBHKWKVOQO-WFASDCNBSA-N 0 3 265.401 2.161 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128390319 260374231 /nfs/dbraw/zinc/37/42/31/260374231.db2.gz AJMWAZSVPIKSRK-NVXWUHKLSA-N 0 3 294.439 2.038 20 30 CEEDHN CN(C)Cc1cccc(C(=O)N[C@@H](C#N)C(C)(C)C)c1 ZINC000085440643 260374761 /nfs/dbraw/zinc/37/47/61/260374761.db2.gz SGGFICGRDVEJBY-AWEZNQCLSA-N 0 3 273.380 2.416 20 30 CEEDHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)c1ccc(OCC#N)cc1 ZINC000129624632 260389473 /nfs/dbraw/zinc/38/94/73/260389473.db2.gz VZUJXSMWZDFLOW-CQDKDKBSSA-N 0 3 274.364 2.399 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CCc2ccccn2)CC1 ZINC000106035448 261320705 /nfs/dbraw/zinc/32/07/05/261320705.db2.gz YPTUZPBMXQJUJI-UHFFFAOYSA-N 0 3 287.407 2.171 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000177532169 261361448 /nfs/dbraw/zinc/36/14/48/261361448.db2.gz HRZJPBIVTGKLOA-SOUVJXGZSA-N 0 3 277.412 2.117 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1ccccc1 ZINC000181357521 261895282 /nfs/dbraw/zinc/89/52/82/261895282.db2.gz FVXCTJKGOYBXAP-ZIAGYGMSSA-N 0 3 273.380 2.345 20 30 CEEDHN C[C@@H](NCC1(C)OCCO1)c1ccc(OCC#N)cc1 ZINC000182100502 261923494 /nfs/dbraw/zinc/92/34/94/261923494.db2.gz RJPVSGUDEXQTRN-GFCCVEGCSA-N 0 3 276.336 2.003 20 30 CEEDHN Cc1cc(C)c2c(c1)CN(CCC(=O)N(C)CCC#N)CC2 ZINC000186740774 262108045 /nfs/dbraw/zinc/10/80/45/262108045.db2.gz AXOFBTILWGPIPB-UHFFFAOYSA-N 0 3 299.418 2.424 20 30 CEEDHN CC#CCCN1CCC[C@@H](C(=O)Nc2ncccc2C)C1 ZINC000364035772 262111432 /nfs/dbraw/zinc/11/14/32/262111432.db2.gz QPOAFNJLZTXLSC-OAHLLOKOSA-N 0 3 285.391 2.454 20 30 CEEDHN CC#CCCN1CCC[C@H]1c1ccc(CNC(C)=O)o1 ZINC000364059536 262130151 /nfs/dbraw/zinc/13/01/51/262130151.db2.gz XOSWMJFMNBOJLA-HNNXBMFYSA-N 0 3 274.364 2.466 20 30 CEEDHN C=CCOc1ccccc1CNCC(C)(C)C(=O)NC ZINC000120175648 262187259 /nfs/dbraw/zinc/18/72/59/262187259.db2.gz MKSVIQVWVCMGIT-UHFFFAOYSA-N 0 3 276.380 2.113 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2c3ccccc3C[C@@H]2O)C1 ZINC000192725059 262209668 /nfs/dbraw/zinc/20/96/68/262209668.db2.gz FOWXPBCKEJPSNW-XABYNWHXSA-N 0 3 256.349 2.317 20 30 CEEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](n3cncn3)C2)cc1 ZINC000364514175 262253513 /nfs/dbraw/zinc/25/35/13/262253513.db2.gz WZECZNPPDYYKBI-UKRRQHHQSA-N 0 3 297.362 2.016 20 30 CEEDHN N#CC1(c2ccccc2)CC(NCCCN2CCOC2=O)C1 ZINC000364739802 262260857 /nfs/dbraw/zinc/26/08/57/262260857.db2.gz PZGLGKYDHBBWJF-UHFFFAOYSA-N 0 3 299.374 2.042 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000160830446 262301297 /nfs/dbraw/zinc/30/12/97/262301297.db2.gz PJCCBTSPMHCMIS-KGLIPLIRSA-N 0 3 298.390 2.214 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(C)(C(C)C)CC1 ZINC000186202829 262312259 /nfs/dbraw/zinc/31/22/59/262312259.db2.gz WJMCJWRMPJOHEO-CYBMUJFWSA-N 0 3 295.427 2.145 20 30 CEEDHN Cn1cc(C[C@@H]2CCN(CC#Cc3ccccc3)C2)cn1 ZINC000365269446 262357194 /nfs/dbraw/zinc/35/71/94/262357194.db2.gz QUTBACZGKPLMTN-KRWDZBQOSA-N 0 3 279.387 2.336 20 30 CEEDHN N#CCc1cccc(C(=O)N2CCC[C@@H]2CN2CCCC2)c1 ZINC000263852651 262855126 /nfs/dbraw/zinc/85/51/26/262855126.db2.gz VMOICPOKSQKPSK-QGZVFWFLSA-N 0 3 297.402 2.453 20 30 CEEDHN COCCN1CC[C@@H](N[C@H](CCC#N)c2ccccc2)C1 ZINC000273231967 263014210 /nfs/dbraw/zinc/01/42/10/263014210.db2.gz XDEBIAONVUJDGF-IAGOWNOFSA-N 0 3 287.407 2.342 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000278747470 263050481 /nfs/dbraw/zinc/05/04/81/263050481.db2.gz NPNUILURPCKHDU-BRWVUGGUSA-N 0 3 297.402 2.459 20 30 CEEDHN CC(C)OCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280625500 263063284 /nfs/dbraw/zinc/06/32/84/263063284.db2.gz YMTGWBCGZWFFPR-MRXNPFEDSA-N 0 3 299.374 2.172 20 30 CEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CCS1 ZINC000281033823 263065968 /nfs/dbraw/zinc/06/59/68/263065968.db2.gz WQXYLJLTCZADNZ-DOMZBBRYSA-N 0 3 299.399 2.204 20 30 CEEDHN N#CCCCCN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290095085 263114655 /nfs/dbraw/zinc/11/46/55/263114655.db2.gz ZVHOYZKWYKKZAE-GFCCVEGCSA-N 0 3 252.749 2.477 20 30 CEEDHN CCC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000291127837 263120396 /nfs/dbraw/zinc/12/03/96/263120396.db2.gz VTVHPMGHNYFNIT-OAHLLOKOSA-N 0 3 281.359 2.499 20 30 CEEDHN C[C@@H](c1ccccc1)[C@H](NCCC(C)(C)C#N)C(N)=O ZINC000292161014 263129129 /nfs/dbraw/zinc/12/91/29/263129129.db2.gz KYYVGCYKBHKWCA-JSGCOSHPSA-N 0 3 273.380 2.173 20 30 CEEDHN N#CCCOCCNC1(c2ccc(F)cc2)CCOCC1 ZINC000292703185 263133906 /nfs/dbraw/zinc/13/39/06/263133906.db2.gz DJGUEDUYSVRERW-UHFFFAOYSA-N 0 3 292.354 2.351 20 30 CEEDHN N#CCCOCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000293303489 263139174 /nfs/dbraw/zinc/13/91/74/263139174.db2.gz ZRMJZQIHYKNHFQ-UHFFFAOYSA-N 0 3 299.374 2.332 20 30 CEEDHN N#CCCOCCN1CCC[C@@H](Nc2ccccc2)C1 ZINC000293687773 263147057 /nfs/dbraw/zinc/14/70/57/263147057.db2.gz BODMTMOUSDZCQC-MRXNPFEDSA-N 0 3 273.380 2.493 20 30 CEEDHN N#C[C@H]1CCC[C@@H](N[C@@H](CC(N)=O)c2ccccc2)C1 ZINC000293705235 263147439 /nfs/dbraw/zinc/14/74/39/263147439.db2.gz RYAQDQHPLFDCKB-CFVMTHIKSA-N 0 3 271.364 2.275 20 30 CEEDHN C[C@H](NCCOCCC#N)c1cccc([N+](=O)[O-])c1 ZINC000293790176 263149473 /nfs/dbraw/zinc/14/94/73/263149473.db2.gz MJRAQWNIVHCSEM-NSHDSACASA-N 0 3 263.297 2.176 20 30 CEEDHN CC[C@H]1CCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000297945717 263212869 /nfs/dbraw/zinc/21/28/69/263212869.db2.gz ULEUVJRQUPTGMF-CABCVRRESA-N 0 3 267.332 2.251 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(Cc2cnn(C)c2)CC1 ZINC000340900546 263309067 /nfs/dbraw/zinc/30/90/67/263309067.db2.gz NYNLVPNTAYSNIN-OAHLLOKOSA-N 0 3 276.428 2.283 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NC[C@H]1CCCN1CC ZINC000341502202 263340210 /nfs/dbraw/zinc/34/02/10/263340210.db2.gz VLJJNTHODLIWOF-QWHCGFSZSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000341502311 263340260 /nfs/dbraw/zinc/34/02/60/263340260.db2.gz FRDKEFXKZLODOV-MCIONIFRSA-N 0 3 265.401 2.219 20 30 CEEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000341890225 263363997 /nfs/dbraw/zinc/36/39/97/263363997.db2.gz TURKYVZGXAKGTO-NEPJUHHUSA-N 0 3 264.325 2.430 20 30 CEEDHN COCC1(C#N)CCN(CCc2ccccc2)CC1 ZINC000341973554 263372588 /nfs/dbraw/zinc/37/25/88/263372588.db2.gz HEXLIIMSFOFDEO-UHFFFAOYSA-N 0 3 258.365 2.481 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000342010804 263377889 /nfs/dbraw/zinc/37/78/89/263377889.db2.gz LXCTYMBXAZNSHF-OBJOEFQTSA-N 0 3 250.386 2.188 20 30 CEEDHN COc1cc(CN(C(=O)C(C)C#N)C2CC2)ccc1O ZINC000342015672 263378493 /nfs/dbraw/zinc/37/84/93/263378493.db2.gz JCYQZECLEBRFIM-SNVBAGLBSA-N 0 3 274.320 2.051 20 30 CEEDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCCCC#N ZINC000342099723 263386998 /nfs/dbraw/zinc/38/69/98/263386998.db2.gz KILKFNYEALVYIV-ZFWWWQNUSA-N 0 3 274.364 2.300 20 30 CEEDHN C=CCCN(C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000342142635 263398441 /nfs/dbraw/zinc/39/84/41/263398441.db2.gz JZUNOGWZERBZLH-ZDUSSCGKSA-N 0 3 255.406 2.180 20 30 CEEDHN CC(C#N)C(=O)NC1(CCOCc2ccccc2)CC1 ZINC000342194228 263398453 /nfs/dbraw/zinc/39/84/53/263398453.db2.gz CODOKDHXEUZZHO-ZDUSSCGKSA-N 0 3 272.348 2.402 20 30 CEEDHN C=CC[C@H](C)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000342531343 263440037 /nfs/dbraw/zinc/44/00/37/263440037.db2.gz SYOOFXIRYPAEHG-KBPBESRZSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CC1CCN([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000330703849 264018405 /nfs/dbraw/zinc/01/84/05/264018405.db2.gz QHSZSEJUQSFKLQ-GXTWGEPZSA-N 0 3 293.411 2.047 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1csc(=O)[nH]1 ZINC000330995522 264105004 /nfs/dbraw/zinc/10/50/04/264105004.db2.gz UJCGNGRYDOIBKN-VIFPVBQESA-N 0 3 271.386 2.130 20 30 CEEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@H](C)O1 ZINC000331208927 264161984 /nfs/dbraw/zinc/16/19/84/264161984.db2.gz WCQQRZGHOLMZLI-LZWOXQAQSA-N 0 3 286.375 2.395 20 30 CEEDHN C=CCC[C@@H](O)CN(CCC1CCCCC1)CC(N)=O ZINC000126316896 264210417 /nfs/dbraw/zinc/21/04/17/264210417.db2.gz UGBGXFBGJUCNFV-OAHLLOKOSA-N 0 3 282.428 2.071 20 30 CEEDHN CC#CCN(C)CC[C@@H](C(=O)OC)c1ccccc1 ZINC000425476163 264347594 /nfs/dbraw/zinc/34/75/94/264347594.db2.gz KQESOOLDPKEIOI-OAHLLOKOSA-N 0 3 259.349 2.288 20 30 CEEDHN C=CCC[C@H](O)CN(C)[C@@H](CCO)c1ccccc1 ZINC000131797182 264381281 /nfs/dbraw/zinc/38/12/81/264381281.db2.gz YUGVBZYHUGLCCG-HOTGVXAUSA-N 0 3 263.381 2.369 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@H](O)[C@H](C)C2)c1 ZINC000190067905 264391165 /nfs/dbraw/zinc/39/11/65/264391165.db2.gz WYAKEISYWUVWDC-CJNGLKHVSA-N 0 3 261.365 2.454 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000294061991 265005623 /nfs/dbraw/zinc/00/56/23/265005623.db2.gz VEFVIOCMUWDNGO-HOTGVXAUSA-N 0 3 288.366 2.001 20 30 CEEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000294093144 265007156 /nfs/dbraw/zinc/00/71/56/265007156.db2.gz IZJNBTFHZZXRBW-GXTWGEPZSA-N 0 3 290.363 2.231 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000345754353 265096870 /nfs/dbraw/zinc/09/68/70/265096870.db2.gz QYWVBVLXMJIEGB-CHWSQXEVSA-N 0 3 253.390 2.077 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N1CC[C@]2(C1)CCCN(C)C2)OCC ZINC000356296969 266090068 /nfs/dbraw/zinc/09/00/68/266090068.db2.gz MSLQEHRMCYSKOK-NVXWUHKLSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCN(C(=O)NC[C@@H](C)N1CCC(C)CC1)C1CC1 ZINC000357564182 266326600 /nfs/dbraw/zinc/32/66/00/266326600.db2.gz AYXOLPONZLDYHW-CQSZACIVSA-N 0 3 279.428 2.467 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1C(C)C ZINC000357665016 266342569 /nfs/dbraw/zinc/34/25/69/266342569.db2.gz QYMOIOOOZAGYPN-ZIAGYGMSSA-N 0 3 265.401 2.115 20 30 CEEDHN C[C@H](C#N)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000357793756 266363261 /nfs/dbraw/zinc/36/32/61/266363261.db2.gz ICJBOMKOMGYJMF-HIFRSBDPSA-N 0 3 271.364 2.099 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CCC1 ZINC000357791564 266363440 /nfs/dbraw/zinc/36/34/40/266363440.db2.gz NYUFMKQTGQHKOC-JSGCOSHPSA-N 0 3 262.397 2.332 20 30 CEEDHN C[C@@H](C#N)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000357796999 266364588 /nfs/dbraw/zinc/36/45/88/266364588.db2.gz QHCCYRLBOXZJMW-LBPRGKRZSA-N 0 3 291.420 2.236 20 30 CEEDHN CC(C)OC(=O)C[C@@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000357799653 266365906 /nfs/dbraw/zinc/36/59/06/266365906.db2.gz MUGAWSSJOXWJMH-TZMCWYRMSA-N 0 3 288.347 2.345 20 30 CEEDHN CC(C#N)C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000357839877 266374426 /nfs/dbraw/zinc/37/44/26/266374426.db2.gz WQJNDRCJBORXIU-SECBINFHSA-N 0 3 294.738 2.277 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359563016 266600314 /nfs/dbraw/zinc/60/03/14/266600314.db2.gz SBMIDVNXSCSFHF-IPYPFGDCSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(c2cc(OC)ncn2)CC1 ZINC000359573000 266601938 /nfs/dbraw/zinc/60/19/38/266601938.db2.gz TWIXVTBANRDMMN-CQSZACIVSA-N 0 3 290.411 2.352 20 30 CEEDHN C=C[C@H](C)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000362655479 267030276 /nfs/dbraw/zinc/03/02/76/267030276.db2.gz LYOFVGINZMDSEO-ZFWWWQNUSA-N 0 3 275.396 2.033 20 30 CEEDHN N#CCNC(=O)CN1CCC[C@@H]1CCC1CCCC1 ZINC000362965484 267068440 /nfs/dbraw/zinc/06/84/40/267068440.db2.gz CCAWNVNFKKYRCQ-CQSZACIVSA-N 0 3 263.385 2.061 20 30 CEEDHN N#CCCCCN1CCCC[C@H]1C(=O)N1CCCC1 ZINC000363198969 267080110 /nfs/dbraw/zinc/08/01/10/267080110.db2.gz MISAHDKKOWRMNB-AWEZNQCLSA-N 0 3 263.385 2.157 20 30 CEEDHN C#CCOc1ccc(CN2CC[C@@H](c3nccn3C)C2)cc1 ZINC000367701467 267110878 /nfs/dbraw/zinc/11/08/78/267110878.db2.gz KYWZRDCQTMGEAG-MRXNPFEDSA-N 0 3 295.386 2.422 20 30 CEEDHN C=C(Cl)CNC1CCN(C(=O)c2ccco2)CC1 ZINC000368464875 267175141 /nfs/dbraw/zinc/17/51/41/267175141.db2.gz CZAJIEIOIQORMJ-UHFFFAOYSA-N 0 3 268.744 2.226 20 30 CEEDHN CC[C@@H]1CN(CCN[C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000494463286 267202974 /nfs/dbraw/zinc/20/29/74/267202974.db2.gz FJIUOQYGMXGOKC-RHSMWYFYSA-N 0 3 287.407 2.320 20 30 CEEDHN CC[C@@H]1CN(CCN[C@H](C)c2cccc(C#N)c2)CCO1 ZINC000494450881 267203520 /nfs/dbraw/zinc/20/35/20/267203520.db2.gz LNZMPYCXYLSHEI-RHSMWYFYSA-N 0 3 287.407 2.320 20 30 CEEDHN CC[C@H]1CN(CCN[C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000494463285 267230221 /nfs/dbraw/zinc/23/02/21/267230221.db2.gz FJIUOQYGMXGOKC-PBHICJAKSA-N 0 3 287.407 2.320 20 30 CEEDHN CCCCCCCN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000369592562 267250928 /nfs/dbraw/zinc/25/09/28/267250928.db2.gz RUPMXZIGBHXWLC-HZPDHXFCSA-N 0 3 268.445 2.488 20 30 CEEDHN C=CCC[C@H](O)CN1CC[C@H](Oc2ccccc2)C1 ZINC000370494964 267323919 /nfs/dbraw/zinc/32/39/19/267323919.db2.gz NIYAZJGCKZTTJK-HOCLYGCPSA-N 0 3 261.365 2.467 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NCCN(C)Cc1ccccc1 ZINC000448776453 267923121 /nfs/dbraw/zinc/92/31/21/267923121.db2.gz GOAYKNZFMRHQFI-UHFFFAOYSA-N 0 3 296.374 2.057 20 30 CEEDHN Cc1ccc(C#N)c(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)n1 ZINC000488719455 268029507 /nfs/dbraw/zinc/02/95/07/268029507.db2.gz YKQNDBZCLODPQX-DVOMOZLQSA-N 0 3 284.407 2.428 20 30 CEEDHN N#Cc1cccc(OCCN2CC3(CCC3)[C@@H]3COC[C@@H]32)c1 ZINC000459713253 268285189 /nfs/dbraw/zinc/28/51/89/268285189.db2.gz KSOFCHWXLOXIEI-SJORKVTESA-N 0 3 298.386 2.438 20 30 CEEDHN COCCCCN(C)Cc1ccc(OC)c(C#N)c1 ZINC000397348814 270353093 /nfs/dbraw/zinc/35/30/93/270353093.db2.gz YCERKODGQLABEW-UHFFFAOYSA-N 0 3 262.353 2.425 20 30 CEEDHN CN1CCN(Cc2cccc(F)c2C#N)C(C)(C)C1 ZINC000428295627 271255659 /nfs/dbraw/zinc/25/56/59/271255659.db2.gz LMEKJPNFQPTJQG-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN C[C@H]1[C@H](C)N(Cc2cccc(F)c2C#N)CCN1C ZINC000428307354 271257110 /nfs/dbraw/zinc/25/71/10/271257110.db2.gz UIMGONJTUFZFBV-RYUDHWBXSA-N 0 3 261.344 2.222 20 30 CEEDHN C[C@@H](N[C@H](CO)CC(F)F)c1cccc(C#N)c1 ZINC000429454216 271331710 /nfs/dbraw/zinc/33/17/10/271331710.db2.gz NRENXSFGNWUHHI-SKDRFNHKSA-N 0 3 254.280 2.225 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(C(N)=O)cc1)CC2 ZINC000353277707 274926772 /nfs/dbraw/zinc/92/67/72/274926772.db2.gz VHVIOMNWECKJJH-QGZVFWFLSA-N 0 3 291.354 2.434 20 30 CEEDHN C=CC1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000111259360 275741976 /nfs/dbraw/zinc/74/19/76/275741976.db2.gz KYIQIEPXMRWUNU-UHFFFAOYSA-N 0 3 250.386 2.287 20 30 CEEDHN CCN(CCOc1ccc(C#N)cc1)[C@H]1CCOC1 ZINC000311495353 276134030 /nfs/dbraw/zinc/13/40/30/276134030.db2.gz VNXOGDMSFKFOLE-AWEZNQCLSA-N 0 3 260.337 2.048 20 30 CEEDHN CCN1CCCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000271014897 276165278 /nfs/dbraw/zinc/16/52/78/276165278.db2.gz YHDNDKVTZNKRJM-UHFFFAOYSA-N 0 3 284.407 2.364 20 30 CEEDHN CC(C)CN(CC(=O)N[C@@](C)(C#N)C(C)C)C1CC1 ZINC000051735077 277375973 /nfs/dbraw/zinc/37/59/73/277375973.db2.gz IYDQJKANHPXITE-HNNXBMFYSA-N 0 3 265.401 2.161 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)CC)C(C)C ZINC000101791160 277847832 /nfs/dbraw/zinc/84/78/32/277847832.db2.gz NRUQKGVPCGVABH-AWEZNQCLSA-N 0 3 267.417 2.346 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC12CCN(C)CC2 ZINC000335036463 277901388 /nfs/dbraw/zinc/90/13/88/277901388.db2.gz DUSMSJPGCOPCPQ-CABCVRRESA-N 0 3 292.423 2.054 20 30 CEEDHN C[C@H](CNC(=O)[C@@]1(C)CCCNC1=O)N(C)C1CC1 ZINC000330266860 278159785 /nfs/dbraw/zinc/15/97/85/278159785.db2.gz AIGRLSQEJARGJT-YGRLFVJLSA-N 0 3 267.373 2.182 20 30 CEEDHN CC(C#N)C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000335346459 278181996 /nfs/dbraw/zinc/18/19/96/278181996.db2.gz SAVCISVTWJKIAV-ZDUSSCGKSA-N 0 3 289.354 2.020 20 30 CEEDHN C[C@@H](CC(=O)N(C)C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000417383722 278220513 /nfs/dbraw/zinc/22/05/13/278220513.db2.gz KPGXZUKENFBIOG-BLLLJJGKSA-N 0 3 285.391 2.392 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000346686675 278306614 /nfs/dbraw/zinc/30/66/14/278306614.db2.gz SBTQCQYRBMEFNL-CAPXZKIUSA-N 0 3 283.375 2.205 20 30 CEEDHN CCC[C@@]1(NC(=O)NC2CCN(C3CC3)CC2)CCOC1 ZINC000329427423 278915583 /nfs/dbraw/zinc/91/55/83/278915583.db2.gz HIGHNNWSBXICLO-MRXNPFEDSA-N 0 3 295.427 2.076 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000362931807 279596466 /nfs/dbraw/zinc/59/64/66/279596466.db2.gz LOQYECZNIRBJAT-ZTFGCOKTSA-N 0 3 299.418 2.150 20 30 CEEDHN CCS[C@@H]1CCCCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000112089392 280042992 /nfs/dbraw/zinc/04/29/92/280042992.db2.gz VLCOFNNAHDJSGR-UONOGXRCSA-N 0 3 297.468 2.355 20 30 CEEDHN N#Cc1ccc([C@@H](NCC2(C3CC3)CCC2)C(N)=O)cc1 ZINC000155029830 289162487 /nfs/dbraw/zinc/16/24/87/289162487.db2.gz AOEKDGPQHYTCLY-OAHLLOKOSA-N 0 3 283.375 2.255 20 30 CEEDHN CN1CC[C@H]2CCN(c3ccc(F)cc3C#N)C[C@H]21 ZINC000364311148 290233422 /nfs/dbraw/zinc/23/34/22/290233422.db2.gz VTWRHAMCTDERQL-XHDPSFHLSA-N 0 3 259.328 2.228 20 30 CEEDHN C[C@H](N[C@@H]1CSC[C@@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000507209668 297535860 /nfs/dbraw/zinc/53/58/60/297535860.db2.gz IXHVQCAOHDBNKX-COPLHBTASA-N 0 3 289.404 2.226 20 30 CEEDHN CCN(CCNC(=O)c1ccc(Cl)c(C#N)c1)C1CC1 ZINC000539787649 298254429 /nfs/dbraw/zinc/25/44/29/298254429.db2.gz CBEBIJLTKCAWFF-UHFFFAOYSA-N 0 3 291.782 2.426 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCC(C)(C#N)CC1 ZINC000335971754 300064016 /nfs/dbraw/zinc/06/40/16/300064016.db2.gz ISCSYQDZDWQRTD-STQMWFEESA-N 0 3 263.385 2.011 20 30 CEEDHN CC(C)(C)CN(CCCO)Cc1ccc(C#N)cn1 ZINC000577451423 314377774 /nfs/dbraw/zinc/37/77/74/314377774.db2.gz ZKUVSHAAHRJMTA-UHFFFAOYSA-N 0 3 261.369 2.184 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](NCCOC[C@@H]1CCCO1)CC2 ZINC000579651960 314609856 /nfs/dbraw/zinc/60/98/56/314609856.db2.gz LKQZUFSCOLZGGH-DOTOQJQBSA-N 0 3 286.375 2.331 20 30 CEEDHN C=CCCCCCNC(=O)[C@]1(N)C[C@H](OCC)C1(C)C ZINC000570984268 327968731 /nfs/dbraw/zinc/96/87/31/327968731.db2.gz XTEMPLHWNLUYGS-XJKSGUPXSA-N 0 3 282.428 2.382 20 30 CEEDHN CCN1CC[C@H]2OCCN(Cc3ccc(CC#N)cc3)[C@H]2C1 ZINC000339392485 328009405 /nfs/dbraw/zinc/00/94/05/328009405.db2.gz HDUJJTOONHYQSQ-ZWKOTPCHSA-N 0 3 299.418 2.048 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)SCCN(C)C ZINC000339742717 328041931 /nfs/dbraw/zinc/04/19/31/328041931.db2.gz MDUREFWPZODGEY-GFCCVEGCSA-N 0 3 258.431 2.094 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H](C)C(C)(F)F)CC1 ZINC000339999872 328106677 /nfs/dbraw/zinc/10/66/77/328106677.db2.gz QONPIHPVICFBBD-SNVBAGLBSA-N 0 3 260.328 2.044 20 30 CEEDHN CO[C@@H]1CN(Cc2ccc(OCC#N)cc2)CC[C@@H]1C ZINC000275880928 328216895 /nfs/dbraw/zinc/21/68/95/328216895.db2.gz QFYDUBFNMRSETC-XJKSGUPXSA-N 0 3 274.364 2.446 20 30 CEEDHN C[C@H](C#N)CN(C(=O)CCN(C)c1ccncc1)C1CC1 ZINC000541856546 328306713 /nfs/dbraw/zinc/30/67/13/328306713.db2.gz AEPGJWKTISHHJS-CYBMUJFWSA-N 0 3 286.379 2.059 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)NC[C@@H]2CCCN(C)C2)c1 ZINC000580527508 322323395 /nfs/dbraw/zinc/32/33/95/322323395.db2.gz HPNLUXPXPGUNQZ-ZDUSSCGKSA-N 0 3 286.379 2.330 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ncc2c(c1C#N)CCC2 ZINC000580829650 322347330 /nfs/dbraw/zinc/34/73/30/322347330.db2.gz MSPFSCFBFQLDHK-MEDUHNTESA-N 0 3 282.391 2.337 20 30 CEEDHN CCN1CCC(Nc2ncc3c(c2C#N)CCC3)CC1 ZINC000581663245 322414663 /nfs/dbraw/zinc/41/46/63/322414663.db2.gz HMAZVDHVPXRNLW-UHFFFAOYSA-N 0 3 270.380 2.338 20 30 CEEDHN C=CC[C@H](C)N[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000342430834 328418832 /nfs/dbraw/zinc/41/88/32/328418832.db2.gz CSBKMYMWKPQODI-AAEUAGOBSA-N 0 3 279.384 2.456 20 30 CEEDHN C=CCSCCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415897305 328430134 /nfs/dbraw/zinc/43/01/34/328430134.db2.gz PPESNFKQNIBLJC-UHFFFAOYSA-N 0 3 291.420 2.373 20 30 CEEDHN C=CCNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000416431010 328434549 /nfs/dbraw/zinc/43/45/49/328434549.db2.gz GGFPMYWPUZPNOZ-CQSZACIVSA-N 0 3 261.369 2.295 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2(C#N)CC(C)C2)CC1 ZINC000532066795 328443498 /nfs/dbraw/zinc/44/34/98/328443498.db2.gz GZULDNPIEBLFLE-UHFFFAOYSA-N 0 3 275.396 2.083 20 30 CEEDHN Cn1ncc2ccc(CN[C@@H]3CC[C@@H](C#N)C3)cc21 ZINC000565864668 327037745 /nfs/dbraw/zinc/03/77/45/327037745.db2.gz TUOXLUVDZODOAQ-BXUZGUMPSA-N 0 3 254.337 2.355 20 30 CEEDHN C[C@H]1C[C@@H](O)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000558068452 327054742 /nfs/dbraw/zinc/05/47/42/327054742.db2.gz RWMBCUDCXNUWMV-BPUTZDHNSA-N 0 3 286.375 2.131 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(F)cc1F ZINC000296623123 327111553 /nfs/dbraw/zinc/11/15/53/327111553.db2.gz QHWNSMGVXWDGIS-UHFFFAOYSA-N 0 3 281.306 2.041 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](c2ccccc2)C1 ZINC000120154462 327341009 /nfs/dbraw/zinc/34/10/09/327341009.db2.gz KHVIPEPDXZOIJF-ZBFHGGJFSA-N 0 3 285.391 2.236 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000566681431 327439706 /nfs/dbraw/zinc/43/97/06/327439706.db2.gz TTZYCPHVWMMNFK-ZIAGYGMSSA-N 0 3 298.390 2.023 20 30 CEEDHN CCN(CC)[C@@H](CNC(=O)[C@H](C)C#N)c1ccsc1 ZINC000357834071 328876939 /nfs/dbraw/zinc/87/69/39/328876939.db2.gz QHTNNGCGLFPWGO-YPMHNXCESA-N 0 3 279.409 2.407 20 30 CEEDHN C=CCCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375391522 329003281 /nfs/dbraw/zinc/00/32/81/329003281.db2.gz LKRDCNZGKUVBRA-LLVKDONJSA-N 0 3 250.302 2.004 20 30 CEEDHN C=CCCCC(=O)N1C[C@H](N)[C@@H](c2ccc(F)cc2)C1 ZINC000377358284 329012551 /nfs/dbraw/zinc/01/25/51/329012551.db2.gz MSRCLHQQMRNSHN-CABCVRRESA-N 0 3 276.355 2.435 20 30 CEEDHN C#Cc1ccc(CN[C@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000377613688 329020346 /nfs/dbraw/zinc/02/03/46/329020346.db2.gz FFCWZVBLRUFTDL-ZWKOTPCHSA-N 0 3 263.340 2.416 20 30 CEEDHN C#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc[n-]3)C2)cc1 ZINC000377628294 329021685 /nfs/dbraw/zinc/02/16/85/329021685.db2.gz QZIXHJRDZZXYTQ-OAHLLOKOSA-N 0 3 266.348 2.166 20 30 CEEDHN C#Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc[n-]3)C2)cc1 ZINC000377628294 329021686 /nfs/dbraw/zinc/02/16/86/329021686.db2.gz QZIXHJRDZZXYTQ-OAHLLOKOSA-N 0 3 266.348 2.166 20 30 CEEDHN CC#CCN1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000377643786 329022849 /nfs/dbraw/zinc/02/28/49/329022849.db2.gz ODLNXPOADJNZFU-ZFWWWQNUSA-N 0 3 263.768 2.371 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCCC(C)C)CC1 ZINC000171711154 329078876 /nfs/dbraw/zinc/07/88/76/329078876.db2.gz MUZWLBKVRMOOMZ-UHFFFAOYSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CC[C@H](CC)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000393853590 329090658 /nfs/dbraw/zinc/09/06/58/329090658.db2.gz PUFSNLCLPSWQTO-AWEZNQCLSA-N 0 3 292.404 2.276 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1C[C@@H](C)CC[C@@H]1C ZINC000174469241 329159232 /nfs/dbraw/zinc/15/92/32/329159232.db2.gz HTXLLDLQHJRPDH-KBPBESRZSA-N 0 3 250.386 2.307 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1C[C@@H](C)CC[C@H]1C ZINC000174469265 329159064 /nfs/dbraw/zinc/15/90/64/329159064.db2.gz HTXLLDLQHJRPDH-UONOGXRCSA-N 0 3 250.386 2.307 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)NC1CCN(C2CC2)CC1 ZINC000185098039 329268119 /nfs/dbraw/zinc/26/81/19/329268119.db2.gz OKOTUVOFEFUARL-GFCCVEGCSA-N 0 3 250.386 2.332 20 30 CEEDHN N#CCCCCN[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185918556 329332641 /nfs/dbraw/zinc/33/26/41/329332641.db2.gz NZJLDZCWFLEEND-ZDUSSCGKSA-N 0 3 279.771 2.020 20 30 CEEDHN CN(CCC#N)C(=O)CCN1Cc2ccccc2C2(CC2)C1 ZINC000186243005 329340034 /nfs/dbraw/zinc/34/00/34/329340034.db2.gz UVTSBNWUDDBTOK-UHFFFAOYSA-N 0 3 297.402 2.296 20 30 CEEDHN C=C(C)CCN(CCOC)Cc1c(C)nn(C)c1C ZINC000459590015 329340495 /nfs/dbraw/zinc/34/04/95/329340495.db2.gz YSLOLCQYJDMSIV-UHFFFAOYSA-N 0 3 265.401 2.452 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCCCCSC)CC1 ZINC000188041071 329363762 /nfs/dbraw/zinc/36/37/62/329363762.db2.gz YVKGCVNQVZQRDM-UHFFFAOYSA-N 0 3 299.484 2.469 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc2n[nH]c(C)c2c1 ZINC000571748215 329919600 /nfs/dbraw/zinc/91/96/00/329919600.db2.gz LHISHZWDDWNSHX-KGLIPLIRSA-N 0 3 272.352 2.090 20 30 CEEDHN C=C(CNCc1cnn(CCOC)c1)c1ccccc1 ZINC000266245623 330063991 /nfs/dbraw/zinc/06/39/91/330063991.db2.gz YUWIZHTVAKEOTB-UHFFFAOYSA-N 0 3 271.364 2.333 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@]2(C)CC2(F)F)CC1 ZINC000421770265 330077338 /nfs/dbraw/zinc/07/73/38/330077338.db2.gz UIELRUJYRGIWFU-ZDUSSCGKSA-N 0 3 272.339 2.188 20 30 CEEDHN C=CCNC(=O)CN[C@@H](C)Cc1ccc(F)cc1Cl ZINC000421839186 330092779 /nfs/dbraw/zinc/09/27/79/330092779.db2.gz WTQSCWLSZUCLSA-JTQLQIEISA-N 0 3 284.762 2.302 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000424068412 330219528 /nfs/dbraw/zinc/21/95/28/330219528.db2.gz ZABLWWAJLPVGFP-CQSZACIVSA-N 0 3 295.346 2.103 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccccc1F)C1CC1 ZINC000424069163 330219791 /nfs/dbraw/zinc/21/97/91/330219791.db2.gz UOUFEGHJEBSUDK-OAHLLOKOSA-N 0 3 289.354 2.338 20 30 CEEDHN CC(C)CCC[C@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424073628 330220191 /nfs/dbraw/zinc/22/01/91/330220191.db2.gz FPSSTIKGMFUVLG-QWHCGFSZSA-N 0 3 253.390 2.339 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(Br)c1 ZINC000424074569 330220469 /nfs/dbraw/zinc/22/04/69/330220469.db2.gz HNWJPCLVSYXHLR-NSHDSACASA-N 0 3 296.168 2.409 20 30 CEEDHN CN(Cc1ccc(Cl)cc1)C(=O)[C@@H](N)CCCC#N ZINC000424076172 330220879 /nfs/dbraw/zinc/22/08/79/330220879.db2.gz LJXMIRJSWILIIJ-ZDUSSCGKSA-N 0 3 279.771 2.320 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2scnc2c1 ZINC000424086243 330223557 /nfs/dbraw/zinc/22/35/57/330223557.db2.gz BQVSZKLEQIYKCG-SNVBAGLBSA-N 0 3 274.349 2.256 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000424092253 330225642 /nfs/dbraw/zinc/22/56/42/330225642.db2.gz GTVPTQGVLVBOKU-HNNXBMFYSA-N 0 3 271.364 2.222 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCCc1ccc(Cl)s1 ZINC000424095279 330226671 /nfs/dbraw/zinc/22/66/71/330226671.db2.gz WZSKZLWRPIACCG-SNVBAGLBSA-N 0 3 285.800 2.081 20 30 CEEDHN Cc1cccc2c(CCNC(=O)[C@@H](N)CCCC#N)c[nH]c21 ZINC000424118290 330243212 /nfs/dbraw/zinc/24/32/12/330243212.db2.gz BLURMTIVFKGKLO-HNNXBMFYSA-N 0 3 298.390 2.156 20 30 CEEDHN CCCC[C@H](CCC)NC(=O)[C@@H](N)CCCC#N ZINC000424120629 330249451 /nfs/dbraw/zinc/24/94/51/330249451.db2.gz HMEUFIHWOOFKDD-STQMWFEESA-N 0 3 253.390 2.483 20 30 CEEDHN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@@H](N)CCCC#N ZINC000424121004 330250812 /nfs/dbraw/zinc/25/08/12/330250812.db2.gz HTJWHAPYYCFQLN-BMFZPTHFSA-N 0 3 285.391 2.412 20 30 CEEDHN CCC(CC)c1cc(CNC(=O)[C@@H](N)CCCC#N)on1 ZINC000424121084 330250977 /nfs/dbraw/zinc/25/09/77/330250977.db2.gz HYCIXGSCNFNJOD-ZDUSSCGKSA-N 0 3 292.383 2.216 20 30 CEEDHN CCCCCn1nc(C)cc1NC(=O)[C@H](N)CCCC#N ZINC000424126157 330259133 /nfs/dbraw/zinc/25/91/33/330259133.db2.gz OPBOAJRPGGIEBT-CYBMUJFWSA-N 0 3 291.399 2.341 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2ccccc2n1 ZINC000424131272 330262001 /nfs/dbraw/zinc/26/20/01/330262001.db2.gz GCEXWVMRNWNQHP-GFCCVEGCSA-N 0 3 268.320 2.194 20 30 CEEDHN C=CCn1cc(CN[C@@H]2CCc3ccccc3C2)nn1 ZINC000424167954 330309870 /nfs/dbraw/zinc/30/98/70/330309870.db2.gz DVXFAFDYYSWMCA-OAHLLOKOSA-N 0 3 268.364 2.111 20 30 CEEDHN Cc1c(NC(=O)[C@H](N)CCCC#N)cnn1C1CCCC1 ZINC000424172536 330312753 /nfs/dbraw/zinc/31/27/53/330312753.db2.gz NBQVAGMJWNXHPY-CYBMUJFWSA-N 0 3 289.383 2.266 20 30 CEEDHN C=CCn1cc(CNC[C@@H](C)c2ccc(F)cc2)nn1 ZINC000424174365 330314383 /nfs/dbraw/zinc/31/43/83/330314383.db2.gz RTIRIZJJVZYBFG-GFCCVEGCSA-N 0 3 274.343 2.497 20 30 CEEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCC#N)[C@H]2CCCC[C@@H]12 ZINC000424181006 330319094 /nfs/dbraw/zinc/31/90/94/330319094.db2.gz QJVWCGFUPPSXKX-RQJABVFESA-N 0 3 263.385 2.045 20 30 CEEDHN CCCOc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424186421 330320861 /nfs/dbraw/zinc/32/08/61/330320861.db2.gz HDPPBHKEFPBKAL-CQSZACIVSA-N 0 3 275.352 2.435 20 30 CEEDHN CC[C@@](C)(CCO)NC(=O)C(C#N)CCc1ccccc1 ZINC000433379646 330349620 /nfs/dbraw/zinc/34/96/20/330349620.db2.gz ZQWLWYOOWIDXMT-WBVHZDCISA-N 0 3 288.391 2.426 20 30 CEEDHN Cc1cc(CN)cc(NC(=O)NCC2(CC#N)CC2)c1 ZINC000424425916 330351651 /nfs/dbraw/zinc/35/16/51/330351651.db2.gz KREIGRNQCCWQNL-UHFFFAOYSA-N 0 3 272.352 2.269 20 30 CEEDHN Cc1cc(CN)cc(NC(=O)NCCCCC#N)c1 ZINC000424443249 330352112 /nfs/dbraw/zinc/35/21/12/330352112.db2.gz ZXKSRJOZWXRPOX-UHFFFAOYSA-N 0 3 260.341 2.269 20 30 CEEDHN C=CCCC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000430452361 330568489 /nfs/dbraw/zinc/56/84/89/330568489.db2.gz VAWFDEATBRBZMZ-UHFFFAOYSA-N 0 3 276.384 2.363 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@H](C)C2)CC1 ZINC000435980721 330667157 /nfs/dbraw/zinc/66/71/57/330667157.db2.gz TZCOQTRNUJPCAZ-GXTWGEPZSA-N 0 3 265.401 2.125 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@@H](CN2CCOCC2)c2ccccc2)C1 ZINC000442635869 330777785 /nfs/dbraw/zinc/77/77/85/330777785.db2.gz KLIDSUPPHPSFGJ-NJAFHUGGSA-N 0 3 299.418 2.342 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Br)cn1 ZINC000449517082 330933054 /nfs/dbraw/zinc/93/30/54/330933054.db2.gz DPCWMXMBFDERDP-NEPJUHHUSA-N 0 3 283.169 2.277 20 30 CEEDHN COC(=O)CC1(NCC2(C#N)CCC2)CCCC1 ZINC000450885300 331004729 /nfs/dbraw/zinc/00/47/29/331004729.db2.gz BCJYNOIIRALGSF-UHFFFAOYSA-N 0 3 250.342 2.146 20 30 CEEDHN C=C(C)CN(Cc1ccccc1)C[C@H]1COCCO1 ZINC000450886947 331004908 /nfs/dbraw/zinc/00/49/08/331004908.db2.gz HBFOHZRHDYWAPB-INIZCTEOSA-N 0 3 261.365 2.480 20 30 CEEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1(C(=O)OC)CC1 ZINC000450979985 331009956 /nfs/dbraw/zinc/00/99/56/331009956.db2.gz CHGYQWRDWBTASM-UHFFFAOYSA-N 0 3 293.363 2.103 20 30 CEEDHN CC#CCCN1CCC(n2cc(C(=O)OCC)cn2)CC1 ZINC000451213052 331020876 /nfs/dbraw/zinc/02/08/76/331020876.db2.gz REMGHGDJEHTLCM-UHFFFAOYSA-N 0 3 289.379 2.110 20 30 CEEDHN N#CCC[C@H](C#N)CN1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451334204 331024718 /nfs/dbraw/zinc/02/47/18/331024718.db2.gz BKZKIFQJIWVHRA-FPCVCCKLSA-N 0 3 275.396 2.445 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1c(C)cccc1C ZINC000451609945 331036711 /nfs/dbraw/zinc/03/67/11/331036711.db2.gz XBSFTJBAVQQJSW-KGLIPLIRSA-N 0 3 274.364 2.175 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(CC(C)C)C(C)C ZINC000451683029 331038946 /nfs/dbraw/zinc/03/89/46/331038946.db2.gz QPDSDJMBKWMZHB-CABCVRRESA-N 0 3 282.428 2.203 20 30 CEEDHN C=CC(C)(C)C(=O)NCC1(SC)CCN(C)CC1 ZINC000451845595 331044480 /nfs/dbraw/zinc/04/44/80/331044480.db2.gz IKWQFIOKTIRHIU-UHFFFAOYSA-N 0 3 270.442 2.142 20 30 CEEDHN C=CCC1(C(=O)NC[C@@H]2CCCN2CCCO)CCCC1 ZINC000452343928 331062825 /nfs/dbraw/zinc/06/28/25/331062825.db2.gz MLMBVSSOMMDOLQ-HNNXBMFYSA-N 0 3 294.439 2.086 20 30 CEEDHN C[C@H](CCCO)CNC(=O)C(C#N)CCc1ccccc1 ZINC000452860167 331079609 /nfs/dbraw/zinc/07/96/09/331079609.db2.gz LELWOOXLRHGAFX-ZBFHGGJFSA-N 0 3 288.391 2.284 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OC)c(O)c1 ZINC000453354115 331121176 /nfs/dbraw/zinc/12/11/76/331121176.db2.gz KLZBLJQKUPIUOV-QKCSRTOESA-N 0 3 263.337 2.395 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCC[C@@H](C)F)CC1 ZINC000454470086 331146863 /nfs/dbraw/zinc/14/68/63/331146863.db2.gz WAMZXXZHHPQRJN-GFCCVEGCSA-N 0 3 271.380 2.074 20 30 CEEDHN C=C(C)CCNC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000454520467 331147832 /nfs/dbraw/zinc/14/78/32/331147832.db2.gz XIBQLKXWYGWAPH-KGLIPLIRSA-N 0 3 267.417 2.372 20 30 CEEDHN CO[C@@H](C)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000456130557 331185118 /nfs/dbraw/zinc/18/51/18/331185118.db2.gz COWWSGSERIDBKY-DZGCQCFKSA-N 0 3 274.364 2.300 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H](O)C1CCC1 ZINC000456849021 331207412 /nfs/dbraw/zinc/20/74/12/331207412.db2.gz APASSSMQNBVYEU-HZPDHXFCSA-N 0 3 286.375 2.036 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NCCN1CCC(C)CC1 ZINC000457456873 331223578 /nfs/dbraw/zinc/22/35/78/331223578.db2.gz OBGKZHUWMRRSJP-HZPDHXFCSA-N 0 3 294.439 2.206 20 30 CEEDHN C=C(C)CCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000457475468 331224094 /nfs/dbraw/zinc/22/40/94/331224094.db2.gz HHMZNWPSBHYEQV-INIZCTEOSA-N 0 3 289.423 2.425 20 30 CEEDHN CC#CCN(C)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000458733035 331258280 /nfs/dbraw/zinc/25/82/80/331258280.db2.gz HMGVGBRSJZVFJV-KRWDZBQOSA-N 0 3 299.418 2.173 20 30 CEEDHN C=CCOCCCN1CCc2c(cccc2C(=O)OC)C1 ZINC000459551685 331287330 /nfs/dbraw/zinc/28/73/30/331287330.db2.gz WYLXROYHAJNQCK-UHFFFAOYSA-N 0 3 289.375 2.424 20 30 CEEDHN C=CCn1cccc1C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000488837122 332028444 /nfs/dbraw/zinc/02/84/44/332028444.db2.gz JYBKBZHEOPPEGC-OAHLLOKOSA-N 0 3 287.407 2.375 20 30 CEEDHN CC(C#N)C(=O)N(C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000489427157 332051509 /nfs/dbraw/zinc/05/15/09/332051509.db2.gz OKDLYWCKBLMJEA-MJBXVCDLSA-N 0 3 274.364 2.159 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)CC1(N(C)C)CCC1 ZINC000489585236 332060353 /nfs/dbraw/zinc/06/03/53/332060353.db2.gz PNGIUAKOTAEIMK-UHFFFAOYSA-N 0 3 275.396 2.230 20 30 CEEDHN C=CCCCS(=O)(=O)N(C)CC[C@H]1CCCCN1C ZINC000489608874 332061422 /nfs/dbraw/zinc/06/14/22/332061422.db2.gz ISTJMFQFIOTUEY-CQSZACIVSA-N 0 3 288.457 2.089 20 30 CEEDHN CN(CC(=O)N[C@@](C)(C#N)C1CC1)C1(C)CCCC1 ZINC000489821676 332069085 /nfs/dbraw/zinc/06/90/85/332069085.db2.gz BBWNUCUNJONFBD-HNNXBMFYSA-N 0 3 263.385 2.059 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](CC)C(C)(C)C)CC1 ZINC000490618053 332096062 /nfs/dbraw/zinc/09/60/62/332096062.db2.gz UMHARCSSIRSBPD-AWEZNQCLSA-N 0 3 264.413 2.273 20 30 CEEDHN C#C[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C(C)C ZINC000490637804 332098806 /nfs/dbraw/zinc/09/88/06/332098806.db2.gz SVSAPQGRSZNXBA-GJZGRUSLSA-N 0 3 262.397 2.167 20 30 CEEDHN C#CCNC(=O)CCN[C@H](c1ccc(F)cc1F)C(C)C ZINC000491122604 332152832 /nfs/dbraw/zinc/15/28/32/332152832.db2.gz WXWCFWHKUDABHG-INIZCTEOSA-N 0 3 294.345 2.391 20 30 CEEDHN C#C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)C(C)(C)C ZINC000491473400 332217637 /nfs/dbraw/zinc/21/76/37/332217637.db2.gz CZILPIAIEIYHQA-UPJWGTAASA-N 0 3 250.386 2.023 20 30 CEEDHN C#C[C@@H](NC1CC(CC(=O)OC)C1)c1ccc(F)cc1 ZINC000491570107 332240751 /nfs/dbraw/zinc/24/07/51/332240751.db2.gz ZHBWABWPXLIYNX-WDIPEOLASA-N 0 3 275.323 2.431 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)[C@@H]1CCCCN1C(C)C ZINC000491629693 332252647 /nfs/dbraw/zinc/25/26/47/332252647.db2.gz MFRSJRZXTZCEHZ-KBPBESRZSA-N 0 3 250.386 2.167 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)NC[C@@H](N)c1ccccc1CC ZINC000491637293 332257902 /nfs/dbraw/zinc/25/79/02/332257902.db2.gz YKIFKVFHRQYRCD-GOEBONIOSA-N 0 3 287.407 2.350 20 30 CEEDHN C#CC(C)(C)N(C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000491641044 332260609 /nfs/dbraw/zinc/26/06/09/332260609.db2.gz ZTHSXBRZKGOBJS-NSHDSACASA-N 0 3 254.374 2.243 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1c[nH]c2cccc(C)c12 ZINC000491641845 332261159 /nfs/dbraw/zinc/26/11/59/332261159.db2.gz UDRZQYJFXNRRIM-UHFFFAOYSA-N 0 3 297.402 2.090 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H]1C1CCCC1 ZINC000491676294 332281779 /nfs/dbraw/zinc/28/17/79/332281779.db2.gz YYAWPIBWLAJYIM-MRXNPFEDSA-N 0 3 291.439 2.306 20 30 CEEDHN C#C[C@H](NC(=O)[C@H]1CCCN1CCC)c1ccc(F)cc1 ZINC000491688364 332286114 /nfs/dbraw/zinc/28/61/14/332286114.db2.gz AXLMXWGPRWJVDO-JKSUJKDBSA-N 0 3 288.366 2.491 20 30 CEEDHN C#CCN(CC#N)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000491737888 332317683 /nfs/dbraw/zinc/31/76/83/332317683.db2.gz WAWSOHNWCKKGNN-UHFFFAOYSA-N 0 3 295.386 2.271 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000491743632 332321949 /nfs/dbraw/zinc/32/19/49/332321949.db2.gz MPLUTBXNXWNTTM-DOTOQJQBSA-N 0 3 299.418 2.487 20 30 CEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)CN1CC[C@@H](C)C1 ZINC000491766204 332334377 /nfs/dbraw/zinc/33/43/77/332334377.db2.gz GPQLGQAWQUDACD-CQSZACIVSA-N 0 3 288.366 2.129 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(CC)C[C@@H](C)CC ZINC000491819591 332369313 /nfs/dbraw/zinc/36/93/13/332369313.db2.gz OONJZMFBVUYOFL-AWEZNQCLSA-N 0 3 267.417 2.019 20 30 CEEDHN C=CCCCCN1CCN(c2ccnc(C)n2)CC1 ZINC000575508089 335106414 /nfs/dbraw/zinc/10/64/14/335106414.db2.gz YUEVRWUKXVNQGF-UHFFFAOYSA-N 0 3 260.385 2.263 20 30 CEEDHN C#C[C@@H](NC[C@@H](O)COCc1ccccc1Cl)C(C)C ZINC000312156525 333077608 /nfs/dbraw/zinc/07/76/08/333077608.db2.gz HRCTXKLWHLLWPF-GDBMZVCRSA-N 0 3 295.810 2.465 20 30 CEEDHN C[C@@H]1CN(CCCSCC#N)CC2(CCC2)O1 ZINC000516766309 333082218 /nfs/dbraw/zinc/08/22/18/333082218.db2.gz GSHDLDKGDRWBMS-GFCCVEGCSA-N 0 3 254.399 2.277 20 30 CEEDHN N#CCC[C@H](C#N)CNCCc1ccc(-n2cccn2)cc1 ZINC000575856632 335124064 /nfs/dbraw/zinc/12/40/64/335124064.db2.gz NXPWYOPFCRRVNV-MRXNPFEDSA-N 0 3 293.374 2.448 20 30 CEEDHN Cc1cccc(C)c1OC[C@H](O)CNCC1(CC#N)CC1 ZINC000521614584 333180019 /nfs/dbraw/zinc/18/00/19/333180019.db2.gz WIJZYPVVYXPNBY-OAHLLOKOSA-N 0 3 288.391 2.327 20 30 CEEDHN C=C(C)CNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000194440853 333271287 /nfs/dbraw/zinc/27/12/87/333271287.db2.gz SPDKNXQJHMRCKW-MRXNPFEDSA-N 0 3 287.407 2.384 20 30 CEEDHN C=CCCO[C@H](C)C(=O)Nc1ccccc1CNC ZINC000237144684 333377794 /nfs/dbraw/zinc/37/77/94/333377794.db2.gz LWJCZRYZVGAJRF-GFCCVEGCSA-N 0 3 262.353 2.326 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000528448872 333438563 /nfs/dbraw/zinc/43/85/63/333438563.db2.gz MBPGGPPDVWMMGP-HOSILWTGSA-N 0 3 294.439 2.203 20 30 CEEDHN C=CCOc1ccc(CNCC[C@H](C)[S@](C)=O)cc1 ZINC000129411334 333762291 /nfs/dbraw/zinc/76/22/91/333762291.db2.gz JPNQNMGXIMRKND-ORAYPTAESA-N 0 3 281.421 2.498 20 30 CEEDHN CC#CCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000541785692 333792699 /nfs/dbraw/zinc/79/26/99/333792699.db2.gz YVDQXGVNSINVTN-UHFFFAOYSA-N 0 3 259.353 2.283 20 30 CEEDHN C=C(C)COCCNCc1cn(C)nc1-c1cccnc1 ZINC000134504963 334092544 /nfs/dbraw/zinc/09/25/44/334092544.db2.gz QIKPYYMAOGACHG-UHFFFAOYSA-N 0 3 286.379 2.164 20 30 CEEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)C2(C#N)CCC2)C1 ZINC000134669515 334100113 /nfs/dbraw/zinc/10/01/13/334100113.db2.gz ZMXJPPOCHZBNHM-ZDUSSCGKSA-N 0 3 277.412 2.307 20 30 CEEDHN CC(C)N(C)C(=O)[C@H](C)N1CCC(CCC#N)CC1 ZINC000576223841 335173063 /nfs/dbraw/zinc/17/30/63/335173063.db2.gz PNALEFXKUYEXGO-ZDUSSCGKSA-N 0 3 265.401 2.257 20 30 CEEDHN C=CCCCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000548064998 334137721 /nfs/dbraw/zinc/13/77/21/334137721.db2.gz KGHRDRZQFDVLBU-INIZCTEOSA-N 0 3 287.407 2.376 20 30 CEEDHN C=CCOCCCN(C)Cc1ccc2c(c1)OCCO2 ZINC000548422377 334155292 /nfs/dbraw/zinc/15/52/92/334155292.db2.gz RKVXSEZGNODRPE-UHFFFAOYSA-N 0 3 277.364 2.482 20 30 CEEDHN C[C@H](C(=O)N1CCC(C#N)CC1)N1[C@H](C)CC[C@H]1C ZINC000245200377 334184592 /nfs/dbraw/zinc/18/45/92/334184592.db2.gz AKTZEJDAPYVCDZ-JHJVBQTASA-N 0 3 263.385 2.010 20 30 CEEDHN CN(C)[C@@H](CNC[C@H](C#N)CCC#N)c1ccccc1 ZINC000551683736 334257658 /nfs/dbraw/zinc/25/76/58/334257658.db2.gz PYXASTNAYAQGSO-HOCLYGCPSA-N 0 3 270.380 2.322 20 30 CEEDHN C[C@H](CC[S@@](C)=O)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000252743277 334389157 /nfs/dbraw/zinc/38/91/57/334389157.db2.gz PHMZGKPYXFNXKT-VFGMZZLHSA-N 0 3 294.420 2.397 20 30 CEEDHN Cc1cccnc1CCCNC[C@H](C#N)CCC#N ZINC000567697154 334753206 /nfs/dbraw/zinc/75/32/06/334753206.db2.gz PYSGGYVCCJJFAO-AWEZNQCLSA-N 0 3 256.353 2.356 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000573198096 334916346 /nfs/dbraw/zinc/91/63/46/334916346.db2.gz YROJQTRMEHIBDJ-SJJUBHFPSA-N 0 3 294.439 2.249 20 30 CEEDHN C=CCC1(C(=O)NC[C@@H]2CCCN(C)C2)CCC1 ZINC000577255453 335330358 /nfs/dbraw/zinc/33/03/58/335330358.db2.gz QIBAJHNVTVUWNC-ZDUSSCGKSA-N 0 3 250.386 2.191 20 30 CEEDHN CCC(CC)N(C(=O)[C@H](N)CCCC#N)C1CC1 ZINC000577740470 335394869 /nfs/dbraw/zinc/39/48/69/335394869.db2.gz NCJDDWWAKPNVHF-CYBMUJFWSA-N 0 3 251.374 2.187 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000179650714 335506074 /nfs/dbraw/zinc/50/60/74/335506074.db2.gz WXRYODWISFZQDA-CYBMUJFWSA-N 0 3 293.415 2.311 20 30 CEEDHN Cc1ccccc1[C@H](NCC(=O)NCC#N)C(C)(C)C ZINC000180091163 335549353 /nfs/dbraw/zinc/54/93/53/335549353.db2.gz QRJCNMIDAIXTTD-HNNXBMFYSA-N 0 3 273.380 2.312 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCc1cc2ccccc2o1 ZINC000578757694 335671116 /nfs/dbraw/zinc/67/11/16/335671116.db2.gz LYYSQIFGKCNQJH-ZDUSSCGKSA-N 0 3 271.320 2.070 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)c2cccc(F)c2C#N)C1 ZINC000335105264 500616870 /nfs/dbraw/zinc/61/68/70/500616870.db2.gz LWPQBFYWHMFDAV-LBPRGKRZSA-N 0 3 289.354 2.252 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)NCC(C)(C)CCC#N)CCN1C ZINC000353639318 533924575 /nfs/dbraw/zinc/92/45/75/533924575.db2.gz QULMFLSFDBIIMY-CHWSQXEVSA-N 0 3 280.416 2.098 20 30 CEEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)CN1C1CC1 ZINC000404674744 533954553 /nfs/dbraw/zinc/95/45/53/533954553.db2.gz FSQCJKDBSBOUEC-RISCZKNCSA-N 0 3 273.355 2.412 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccccc1OC(F)F ZINC000351902905 534282668 /nfs/dbraw/zinc/28/26/68/534282668.db2.gz CLUHYKABFPTHQU-SECBINFHSA-N 0 3 268.263 2.106 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000347735281 534282822 /nfs/dbraw/zinc/28/28/22/534282822.db2.gz ODYHTGLNJQHISY-BDAKNGLRSA-N 0 3 252.264 2.344 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@]2(CCOC2)C1 ZINC000156824515 523526062 /nfs/dbraw/zinc/52/60/62/523526062.db2.gz MBZUYXZOGWQGST-INIZCTEOSA-N 0 3 272.348 2.179 20 30 CEEDHN N#CCc1ccc(CN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000332392398 534716789 /nfs/dbraw/zinc/71/67/89/534716789.db2.gz ZWYNKPOKYXPFDF-MRXNPFEDSA-N 0 3 281.363 2.181 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000344475262 526542433 /nfs/dbraw/zinc/54/24/33/526542433.db2.gz MRJAHWOKNHGMFQ-XQLPTFJDSA-N 0 3 296.455 2.449 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CSC[C@@H]2C)CC1 ZINC000344829244 526594316 /nfs/dbraw/zinc/59/43/16/526594316.db2.gz NNDJHHZHHBXOPG-GXTWGEPZSA-N 0 3 297.468 2.078 20 30 CEEDHN C=C(C)COCCNCc1cnc2cccc(C)n12 ZINC000344957419 526655026 /nfs/dbraw/zinc/65/50/26/526655026.db2.gz SOVCRDGMMUNUTQ-UHFFFAOYSA-N 0 3 259.353 2.325 20 30 CEEDHN C=CCOCCCN1CCN(CCc2ccccc2)CC1 ZINC000347969167 526755635 /nfs/dbraw/zinc/75/56/35/526755635.db2.gz UAYDQTIYBYZEQB-UHFFFAOYSA-N 0 3 288.435 2.439 20 30 CEEDHN C=CCOCCCN1CCN(Cc2ccccc2)CC1 ZINC000347962093 526755822 /nfs/dbraw/zinc/75/58/22/526755822.db2.gz HYVVUSQVSNQNBY-UHFFFAOYSA-N 0 3 274.408 2.397 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344616643 526788616 /nfs/dbraw/zinc/78/86/16/526788616.db2.gz NNKZBRSNHYCCFE-ILXRZTDVSA-N 0 3 294.439 2.204 20 30 CEEDHN C=CC[C@@H](CO)CNCc1ccnn1-c1ccccc1C ZINC000354586203 527079099 /nfs/dbraw/zinc/07/90/99/527079099.db2.gz OWUDCCHNFCPAID-OAHLLOKOSA-N 0 3 285.391 2.455 20 30 CEEDHN C=CCCCCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000353352149 527149439 /nfs/dbraw/zinc/14/94/39/527149439.db2.gz NMSFQOMNNXYGGJ-OAHLLOKOSA-N 0 3 297.443 2.095 20 30 CEEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc(OC)c(O)c1 ZINC000353349651 527188779 /nfs/dbraw/zinc/18/87/79/527188779.db2.gz LDQIZXFVHVTZMZ-RYUDHWBXSA-N 0 3 265.353 2.236 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344708820 527618984 /nfs/dbraw/zinc/61/89/84/527618984.db2.gz YDKGGOSLAXFUTN-RHSMWYFYSA-N 0 3 296.455 2.452 20 30 CEEDHN CCOc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347038433 528593560 /nfs/dbraw/zinc/59/35/60/528593560.db2.gz PAXDPLLTRGWZCN-GHMZBOCLSA-N 0 3 276.336 2.431 20 30 CEEDHN CC(C)C[C@](C)(C#N)NC(=O)C1CCN(C2CC2)CC1 ZINC000331477956 528610257 /nfs/dbraw/zinc/61/02/57/528610257.db2.gz MZSBJXOUNMCYJO-MRXNPFEDSA-N 0 3 277.412 2.305 20 30 CEEDHN CC(C)[C@H](C(=O)N1CCC(C#N)CC1)N1CCCCC1 ZINC000334889878 528910356 /nfs/dbraw/zinc/91/03/56/528910356.db2.gz IIGGULLYSODXKP-OAHLLOKOSA-N 0 3 277.412 2.259 20 30 CEEDHN CC(C)N(Cc1ccc(C#N)c(F)c1)C[C@H]1CCC(=O)N1 ZINC000412069058 528937377 /nfs/dbraw/zinc/93/73/77/528937377.db2.gz GIWGLGKZYSVUMM-CQSZACIVSA-N 0 3 289.354 2.186 20 30 CEEDHN CCC1(C[NH+]=C([O-])N[C@H]2CCn3ccnc3C2)CCC1 ZINC000330176858 529033246 /nfs/dbraw/zinc/03/32/46/529033246.db2.gz CNZCEJNUBDATJW-LBPRGKRZSA-N 0 3 276.384 2.282 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)NC[C@H]2CCO[C@@H]2C(C)C)C1 ZINC000330326694 529050332 /nfs/dbraw/zinc/05/03/32/529050332.db2.gz KHBULSOTKGIOLY-RBSFLKMASA-N 0 3 297.443 2.035 20 30 CEEDHN CCN1CCN(CCCC2(C#N)CCOCC2)[C@@H](C)C1 ZINC000352667620 529143274 /nfs/dbraw/zinc/14/32/74/529143274.db2.gz LUEFZYJHFXRXAW-HNNXBMFYSA-N 0 3 279.428 2.113 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)[C@@](C)(C#N)CC ZINC000352824283 529273668 /nfs/dbraw/zinc/27/36/68/529273668.db2.gz MJSFDRGMQJPOGT-UKRRQHHQSA-N 0 3 265.401 2.307 20 30 CEEDHN CC[C@H]1[C@@H](CO)CCN1Cc1ccc(C#N)c(F)c1 ZINC000404161560 529339238 /nfs/dbraw/zinc/33/92/38/529339238.db2.gz QRMZUIIMHYRPMS-HIFRSBDPSA-N 0 3 262.328 2.290 20 30 CEEDHN C#CCNC(=O)CN(CC)[C@H](CC)c1ccccc1 ZINC000746145643 574504052 /nfs/dbraw/zinc/50/40/52/574504052.db2.gz ZSXCOFOTOCDTFP-OAHLLOKOSA-N 0 3 258.365 2.209 20 30 CEEDHN C=C(C)CNC(=S)NCCN1[C@H](C)CCC[C@@H]1C ZINC000730731926 574527047 /nfs/dbraw/zinc/52/70/47/574527047.db2.gz RWTVBZNOGBKVMK-BETUJISGSA-N 0 3 269.458 2.290 20 30 CEEDHN C[C@@H](C#N)Oc1ccc(CNCCOCC2CC2)cc1 ZINC000731040970 574587215 /nfs/dbraw/zinc/58/72/15/574587215.db2.gz IBZMCAGUEVTWSP-ZDUSSCGKSA-N 0 3 274.364 2.494 20 30 CEEDHN Cc1cc(N=NCc2ccc(OCCN(C)C)cc2)ncn1 ZINC000731935842 574607736 /nfs/dbraw/zinc/60/77/36/574607736.db2.gz UGWIAMMVPPRJGE-UHFFFAOYSA-N 0 3 299.378 2.171 20 30 CEEDHN C=CCn1c(CCN2CCCCC2)nnc1SCOC ZINC000732738425 574628532 /nfs/dbraw/zinc/62/85/32/574628532.db2.gz QHDBWVOHJGUZOT-UHFFFAOYSA-N 0 3 296.440 2.189 20 30 CEEDHN CCCCCCN(C)CC(=O)N(C)C1(C#N)CCC1 ZINC000735652309 574763825 /nfs/dbraw/zinc/76/38/25/574763825.db2.gz KDMLGFGMOTVRDB-UHFFFAOYSA-N 0 3 265.401 2.403 20 30 CEEDHN CCCCOCC(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000735769495 574765816 /nfs/dbraw/zinc/76/58/16/574765816.db2.gz JYRMIYQBMBWXQZ-LBPRGKRZSA-N 0 3 261.325 2.086 20 30 CEEDHN C=C(Cl)CNC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000736399084 574786281 /nfs/dbraw/zinc/78/62/81/574786281.db2.gz QGFZZDJMOFKCPM-RYUDHWBXSA-N 0 3 273.808 2.301 20 30 CEEDHN C[C@H](CNCc1cnc2ccc(C#N)cn12)N1CCCCC1 ZINC000736639274 574793824 /nfs/dbraw/zinc/79/38/24/574793824.db2.gz PDJVIBPDNJVORD-CQSZACIVSA-N 0 3 297.406 2.170 20 30 CEEDHN N#Cc1ccc2ncc(C[NH2+]Cc3ccccc3[O-])n2c1 ZINC000736638987 574793845 /nfs/dbraw/zinc/79/38/45/574793845.db2.gz CRQPZURKTLFNCA-UHFFFAOYSA-N 0 3 278.315 2.201 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000736674467 574794217 /nfs/dbraw/zinc/79/42/17/574794217.db2.gz TVDAPTVKYZNDKD-KCJUWKMLSA-N 0 3 286.253 2.015 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000736673439 574794465 /nfs/dbraw/zinc/79/44/65/574794465.db2.gz XIUOVLRJEHYGJN-VXGBXAGGSA-N 0 3 285.347 2.150 20 30 CEEDHN Cc1ccccc1[C@H]1C[C@H](C)N(CC(=O)NCCC#N)C1 ZINC000738312410 574857549 /nfs/dbraw/zinc/85/75/49/574857549.db2.gz MZDTZKQADUZWOK-GJZGRUSLSA-N 0 3 285.391 2.203 20 30 CEEDHN C#CCCOc1ccc(CNCc2cc(C)[nH]n2)cc1 ZINC000738430661 574863007 /nfs/dbraw/zinc/86/30/07/574863007.db2.gz HJIPPKOAAYFWAO-UHFFFAOYSA-N 0 3 269.348 2.410 20 30 CEEDHN C=CCCOCC(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000738520455 574866944 /nfs/dbraw/zinc/86/69/44/574866944.db2.gz FCQJZYGTKPLGRT-UHFFFAOYSA-N 0 3 290.407 2.299 20 30 CEEDHN C=CCN(C(=O)N[C@@H]1CCN(CC2CC2)C1)C(C)C ZINC000739034895 574890732 /nfs/dbraw/zinc/89/07/32/574890732.db2.gz OPMAVUNVBGDQGF-CQSZACIVSA-N 0 3 265.401 2.077 20 30 CEEDHN C#CCCN1CCC(NC(=O)C(C)(C)CC)CC1 ZINC000740737382 574967042 /nfs/dbraw/zinc/96/70/42/574967042.db2.gz BOOIHULQXMSNHL-UHFFFAOYSA-N 0 3 250.386 2.027 20 30 CEEDHN C[C@@H]1C[C@H](NC(=S)Nc2ccccc2C#N)CCN1C ZINC000741507507 574990150 /nfs/dbraw/zinc/99/01/50/574990150.db2.gz YPMCOJZSETTXFS-DGCLKSJQSA-N 0 3 288.420 2.327 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2nc(CC)cs2)CC1 ZINC000743224535 575045239 /nfs/dbraw/zinc/04/52/39/575045239.db2.gz KILGOOPOBVECSQ-UHFFFAOYSA-N 0 3 294.424 2.477 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccco1 ZINC000744023117 575112417 /nfs/dbraw/zinc/11/24/17/575112417.db2.gz VBAHSYWLYFFKFG-RYUDHWBXSA-N 0 3 276.336 2.398 20 30 CEEDHN C=CCCCC(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000748299785 575182330 /nfs/dbraw/zinc/18/23/30/575182330.db2.gz RCFDOTYZWPHSJU-HNNXBMFYSA-N 0 3 280.412 2.056 20 30 CEEDHN CO[C@H](C)CC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000750393133 575261070 /nfs/dbraw/zinc/26/10/70/575261070.db2.gz YILJANWIRDTELK-ZJUUUORDSA-N 0 3 294.738 2.412 20 30 CEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2ncccn2)cc1 ZINC000750803198 575275194 /nfs/dbraw/zinc/27/51/94/575275194.db2.gz YKWXBLLTFYHKTD-ZDUSSCGKSA-N 0 3 294.314 2.000 20 30 CEEDHN C#CCOCCN[C@H](C)c1ccccc1-n1cccn1 ZINC000753768801 575341107 /nfs/dbraw/zinc/34/11/07/575341107.db2.gz NETOWXYVTHUFFP-CQSZACIVSA-N 0 3 269.348 2.173 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)C1CC(F)(F)C1 ZINC000753796941 575342718 /nfs/dbraw/zinc/34/27/18/575342718.db2.gz AVAXJBQAGOZIFF-NSHDSACASA-N 0 3 286.322 2.437 20 30 CEEDHN C=CCCC[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823894060 608530535 /nfs/dbraw/zinc/53/05/35/608530535.db2.gz GKCXDNMSHCSLFS-UHFFFAOYSA-N 0 3 269.352 2.412 20 30 CEEDHN C=CCCC[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823894060 608530537 /nfs/dbraw/zinc/53/05/37/608530537.db2.gz GKCXDNMSHCSLFS-UHFFFAOYSA-N 0 3 269.352 2.412 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@@H](C)c2ccc(F)cc2)C1 ZINC000970783822 612960856 /nfs/dbraw/zinc/96/08/56/612960856.db2.gz WRPXKUHNZHLVRI-CZUORRHYSA-N 0 3 288.366 2.143 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)C(C)C)C1 ZINC000969931345 612962264 /nfs/dbraw/zinc/96/22/64/612962264.db2.gz SCUTVRJCWZWPQM-MSOLQXFVSA-N 0 3 298.430 2.325 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc(C)cc(Cl)c2)C1 ZINC000969347015 612964865 /nfs/dbraw/zinc/96/48/65/612964865.db2.gz ZLVAECQGCXALBT-CQSZACIVSA-N 0 3 276.767 2.086 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc3cc(C)ccc3o2)C1 ZINC000970794831 612965196 /nfs/dbraw/zinc/96/51/96/612965196.db2.gz WNICLPABXFRDFX-CQSZACIVSA-N 0 3 282.343 2.179 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C)c(Cl)c2F)C1 ZINC000969438819 612965577 /nfs/dbraw/zinc/96/55/77/612965577.db2.gz BFEDMNJNYWZAHL-LLVKDONJSA-N 0 3 294.757 2.225 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2coc3cc(C)c(C)cc23)C1 ZINC000969465569 612967750 /nfs/dbraw/zinc/96/77/50/612967750.db2.gz NZDPHCDFDDSPDK-CQSZACIVSA-N 0 3 296.370 2.487 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC000970452011 612993962 /nfs/dbraw/zinc/99/39/62/612993962.db2.gz JUBZXQOPHLMNNJ-IIAWOOMASA-N 0 3 276.424 2.128 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC000970214176 612994406 /nfs/dbraw/zinc/99/44/06/612994406.db2.gz QRFIEAIVHKXTFZ-TZMCWYRMSA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cccnc2C2CC2)C1 ZINC000970055349 612997845 /nfs/dbraw/zinc/99/78/45/612997845.db2.gz WRGCWPWCODEGLB-ZDUSSCGKSA-N 0 3 297.402 2.032 20 30 CEEDHN C#CCCN1CCCN(C(=O)Cc2ccsc2C)CC1 ZINC000982092793 613002954 /nfs/dbraw/zinc/00/29/54/613002954.db2.gz VGLCYUODENBHPV-UHFFFAOYSA-N 0 3 290.432 2.157 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H]2CCCCC2(F)F)CC1 ZINC000981688072 613004661 /nfs/dbraw/zinc/00/46/61/613004661.db2.gz RCUICZFEPCTHEI-CQSZACIVSA-N 0 3 298.377 2.370 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H]2CCC[C@H]2C(F)F)CC1 ZINC000981327855 613004897 /nfs/dbraw/zinc/00/48/97/613004897.db2.gz ZROFWSKZSSDMDE-KGLIPLIRSA-N 0 3 298.377 2.225 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)nc2C)C1 ZINC000968672311 613024946 /nfs/dbraw/zinc/02/49/46/613024946.db2.gz AUEWZTHXPRGKBO-SUMWQHHRSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C(C)(C)C1 ZINC000974853100 613031348 /nfs/dbraw/zinc/03/13/48/613031348.db2.gz PPTHXQGOYOHUOT-HRCADAONSA-N 0 3 288.435 2.273 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2CC=CCC2)C(C)(C)C1 ZINC000972802997 613032089 /nfs/dbraw/zinc/03/20/89/613032089.db2.gz UOKRGLAJFRNKJS-LSDHHAIUSA-N 0 3 274.408 2.193 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000972802994 613037700 /nfs/dbraw/zinc/03/77/00/613037700.db2.gz UOKRGLAJFRNKJS-CABCVRRESA-N 0 3 274.408 2.193 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000948631796 613178491 /nfs/dbraw/zinc/17/84/91/613178491.db2.gz PTRJMJWPCSZQKQ-HLLBOEOZSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2c(C)coc2C)CC1 ZINC000948346296 613179339 /nfs/dbraw/zinc/17/93/39/613179339.db2.gz SSZKJHKXHGFONU-HNNXBMFYSA-N 0 3 288.391 2.456 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C=C2CCCCC2)[C@H](C)C1 ZINC000941843889 613224671 /nfs/dbraw/zinc/22/46/71/613224671.db2.gz MXKNXABTGHKBIC-GDBMZVCRSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2c(C)cccc2C)[C@@H](C)C1 ZINC000942895316 613230576 /nfs/dbraw/zinc/23/05/76/613230576.db2.gz PDOBNUGWKQKQOD-JKSUJKDBSA-N 0 3 284.403 2.377 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000944633816 613235237 /nfs/dbraw/zinc/23/52/37/613235237.db2.gz KLKHCYIWIACOOG-DOTOQJQBSA-N 0 3 284.403 2.377 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000944265056 613236002 /nfs/dbraw/zinc/23/60/02/613236002.db2.gz RKLWAPWATQLESH-SWLSCSKDSA-N 0 3 290.794 2.413 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C)c2C)[C@@H](C)C1 ZINC000944552578 613237268 /nfs/dbraw/zinc/23/72/68/613237268.db2.gz ITCAQKUZMRAQNA-WMLDXEAASA-N 0 3 284.403 2.377 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cccn2C(C)C)C[C@@H]1C ZINC000948048040 613237670 /nfs/dbraw/zinc/23/76/70/613237670.db2.gz OCZFAYXRBRCDTJ-LSDHHAIUSA-N 0 3 287.407 2.285 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2(c3ccccc3)CC2)[C@@H](C)C1 ZINC000944653091 613256948 /nfs/dbraw/zinc/25/69/48/613256948.db2.gz KOTNQUXAPPKYMR-RDJZCZTQSA-N 0 3 296.414 2.178 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)C[C@H]1C ZINC000947171246 613258051 /nfs/dbraw/zinc/25/80/51/613258051.db2.gz RXCYNZAHGBECEI-OLZOCXBDSA-N 0 3 276.424 2.271 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cc3n(c2)CCCC3)C[C@H]1C ZINC000948109044 613266962 /nfs/dbraw/zinc/26/69/62/613266962.db2.gz RRRHDALXZLHPFL-ZBFHGGJFSA-N 0 3 299.418 2.040 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(F)c(C)c2)C[C@@H]1C ZINC000947658533 613269404 /nfs/dbraw/zinc/26/94/04/613269404.db2.gz MCBKZKWLMKMXFX-ZFWWWQNUSA-N 0 3 288.366 2.350 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cccc3c2CCC3)C[C@@H]1C ZINC000948083168 613270811 /nfs/dbraw/zinc/27/08/11/613270811.db2.gz 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C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccccc2O)[C@@H]1C ZINC000985989645 631199329 /nfs/dbraw/zinc/19/93/29/631199329.db2.gz XCURZZUSGGALHH-DGCLKSJQSA-N 0 3 294.782 2.337 20 30 CEEDHN CC(C)C(=O)N1CC[C@@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC000985997520 631199649 /nfs/dbraw/zinc/19/96/49/631199649.db2.gz OETJGVHAAUXXHM-SMDDNHRTSA-N 0 3 291.420 2.355 20 30 CEEDHN C#CCCN1CCN(CCSC(C)(C)C)CC1 ZINC000801936118 631362724 /nfs/dbraw/zinc/36/27/24/631362724.db2.gz PDRNSIHVVJBZMY-UHFFFAOYSA-N 0 3 254.443 2.159 20 30 CEEDHN C[C@@H](C#N)OCCN(C)C[C@H](C)c1nccs1 ZINC000801940197 631365100 /nfs/dbraw/zinc/36/51/00/631365100.db2.gz YTURWMAYRWWBID-QWRGUYRKSA-N 0 3 253.371 2.107 20 30 CEEDHN CCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC000987651200 631438904 /nfs/dbraw/zinc/43/89/04/631438904.db2.gz DPTYBKHZNMRXAH-MNOVXSKESA-N 0 3 277.393 2.109 20 30 CEEDHN CC(C)C(=O)N1C[C@@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC000988136105 631484372 /nfs/dbraw/zinc/48/43/72/631484372.db2.gz SPPDAYLTKHGUSY-RYUDHWBXSA-N 0 3 291.420 2.355 20 30 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2.447 20 30 CEEDHN C#C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C(C)(C)C ZINC000807882479 631882424 /nfs/dbraw/zinc/88/24/24/631882424.db2.gz QHFPPKIAWCQTNT-ZIAGYGMSSA-N 0 3 264.413 2.415 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C=C)cc2)C1 ZINC000989473838 632182745 /nfs/dbraw/zinc/18/27/45/632182745.db2.gz PUHLKRMSZGJYKL-CZUORRHYSA-N 0 3 268.360 2.155 20 30 CEEDHN CC1(C)OCC(N[C@@H]2CCc3ccc(C#N)cc32)CO1 ZINC000810236721 632196997 /nfs/dbraw/zinc/19/69/97/632196997.db2.gz LVWVIBXPARYCFC-OAHLLOKOSA-N 0 3 272.348 2.287 20 30 CEEDHN C#CCCN1CCCN(C(=O)CCc2cccs2)CC1 ZINC000989636566 632215539 /nfs/dbraw/zinc/21/55/39/632215539.db2.gz MSAQTKADBRJDOV-UHFFFAOYSA-N 0 3 290.432 2.238 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3cccnc3s2)C1 ZINC000989642542 632216280 /nfs/dbraw/zinc/21/62/80/632216280.db2.gz IOGDSPYGIKOFQX-AAEUAGOBSA-N 0 3 299.399 2.122 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C)c(F)c(C)c2)C1 ZINC000989813492 632244972 /nfs/dbraw/zinc/24/49/72/632244972.db2.gz TXSWDCOMOPIFCY-UKRRQHHQSA-N 0 3 288.366 2.268 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3c(C)noc3C)CCC[C@@H]12 ZINC000989945457 632286396 /nfs/dbraw/zinc/28/63/96/632286396.db2.gz MAGVOMOEIFAEKE-CZUORRHYSA-N 0 3 289.379 2.204 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)C3CC=CC3)CCC[C@H]12 ZINC000990093430 632310768 /nfs/dbraw/zinc/31/07/68/632310768.db2.gz AOOXGUVNMKKRAK-HOCLYGCPSA-N 0 3 260.381 2.252 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)[C@H]3CC3(C)C)CCC[C@@H]12 ZINC000990276106 632333654 /nfs/dbraw/zinc/33/36/54/632333654.db2.gz KOPKRXNFBZGFGL-CPUCHLNUSA-N 0 3 274.408 2.169 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H]3CC3(C)C)CCC[C@@H]12 ZINC000990276105 632333915 /nfs/dbraw/zinc/33/39/15/632333915.db2.gz KOPKRXNFBZGFGL-CKEIUWERSA-N 0 3 274.408 2.169 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccncc3C)CCC[C@H]12 ZINC000990548491 632380884 /nfs/dbraw/zinc/38/08/84/632380884.db2.gz WARSJAGUGAEFJJ-DOTOQJQBSA-N 0 3 285.391 2.303 20 30 CEEDHN C=CCCCCCCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000811590141 632404529 /nfs/dbraw/zinc/40/45/29/632404529.db2.gz QOYLBAZIYOQLDU-MRXNPFEDSA-N 0 3 293.455 2.019 20 30 CEEDHN C[C@@H](NCCN1CCCOCC1)c1ccc(C#N)cc1F ZINC000812831996 632592030 /nfs/dbraw/zinc/59/20/30/632592030.db2.gz OYPRHYVCOWSMJO-CYBMUJFWSA-N 0 3 291.370 2.070 20 30 CEEDHN C[C@H](O)CNN=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000814959847 632940902 /nfs/dbraw/zinc/94/09/02/632940902.db2.gz LPFDHISFHCWXCQ-YUDDUOHHSA-N 0 3 273.380 2.254 20 30 CEEDHN N#CC1(CC(=O)O[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000815953568 633084949 /nfs/dbraw/zinc/08/49/49/633084949.db2.gz YUVAKUDCYVVQHK-HNNXBMFYSA-N 0 3 284.359 2.498 20 30 CEEDHN CC1(C)[C@H](c2ccccc2)CCN1CC(=O)NCCC#N ZINC000817297358 633623153 /nfs/dbraw/zinc/62/31/53/633623153.db2.gz PVUHTDDFIRSIDA-HNNXBMFYSA-N 0 3 285.391 2.284 20 30 CEEDHN C#CCN(CC)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900354230 633679991 /nfs/dbraw/zinc/67/99/91/633679991.db2.gz WCQGJRLSABTGGE-UHFFFAOYSA-N 0 3 269.348 2.386 20 30 CEEDHN C[C@H](N[C@@H]1CNCCC1(F)F)c1ccc(OCC#N)cc1 ZINC000817981283 633824988 /nfs/dbraw/zinc/82/49/88/633824988.db2.gz QUJZPZNLFIVMHW-SMDDNHRTSA-N 0 3 295.333 2.237 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c([O-])cccc1OC ZINC000818224160 633888855 /nfs/dbraw/zinc/88/88/55/633888855.db2.gz FIODKBIYXANRHI-FZMZJTMJSA-N 0 3 263.337 2.082 20 30 CEEDHN C#CCN(C)CCCNC(=O)C12CC(c3ccccc3)(C1)C2 ZINC000818595713 633955324 /nfs/dbraw/zinc/95/53/24/633955324.db2.gz KXDVAPJXSQERDD-UHFFFAOYSA-N 0 3 296.414 2.180 20 30 CEEDHN OCCN1CCC(N=Nc2ccc(Cl)c(F)c2)CC1 ZINC000819808900 634268501 /nfs/dbraw/zinc/26/85/01/634268501.db2.gz XIWDBJVYRXSUKJ-UHFFFAOYSA-N 0 3 285.750 2.335 20 30 CEEDHN C[C@@H](NC[C@H](CO)Cc1ccco1)c1cc(C#N)ccn1 ZINC000902844223 634856765 /nfs/dbraw/zinc/85/67/65/634856765.db2.gz GPBSGVYQTISRLO-TZMCWYRMSA-N 0 3 285.347 2.048 20 30 CEEDHN C=C[C@H](CO)N[C@@H]1C[C@H](C)Cc2cc(OC)ccc21 ZINC000903055887 634948266 /nfs/dbraw/zinc/94/82/66/634948266.db2.gz DPOMIWJMVUHRGT-AXAPSJFSSA-N 0 3 261.365 2.455 20 30 CEEDHN CC[C@H](NCC1(C#N)CC1)C1(C(=O)OC)CCC1 ZINC000903106477 634972392 /nfs/dbraw/zinc/97/23/92/634972392.db2.gz RDUSDCJGYYMUQQ-NSHDSACASA-N 0 3 250.342 2.002 20 30 CEEDHN C[C@H](NC1CC(CC(N)=O)C1)c1ccc(C#N)cc1F ZINC000903259015 635032656 /nfs/dbraw/zinc/03/26/56/635032656.db2.gz GVTJCWCZFKYTEL-GCVQQVDUSA-N 0 3 275.327 2.002 20 30 CEEDHN CCN1CCC[C@H](N[C@H]2CCc3ccc(C#N)cc32)C1=O ZINC000903388236 635098910 /nfs/dbraw/zinc/09/89/10/635098910.db2.gz MCPARQSBHHAESO-HOTGVXAUSA-N 0 3 283.375 2.146 20 30 CEEDHN C=C(C)COCC[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823878354 635298702 /nfs/dbraw/zinc/29/87/02/635298702.db2.gz WHYNAFPHTDTFSJ-LBPRGKRZSA-N 0 3 287.367 2.110 20 30 CEEDHN C=C(C)COCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823878354 635298706 /nfs/dbraw/zinc/29/87/06/635298706.db2.gz WHYNAFPHTDTFSJ-LBPRGKRZSA-N 0 3 287.367 2.110 20 30 CEEDHN C=CCCOCC[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823899415 635303283 /nfs/dbraw/zinc/30/32/83/635303283.db2.gz VRQDXZUVLNZPJW-LBPRGKRZSA-N 0 3 287.367 2.110 20 30 CEEDHN C=CCCOCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823899415 635303292 /nfs/dbraw/zinc/30/32/92/635303292.db2.gz VRQDXZUVLNZPJW-LBPRGKRZSA-N 0 3 287.367 2.110 20 30 CEEDHN CCCCN([O-])C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000904213534 635522106 /nfs/dbraw/zinc/52/21/06/635522106.db2.gz SBIAIKUJEZMGLV-ZDUSSCGKSA-N 0 3 286.441 2.222 20 30 CEEDHN C#C[C@@H](CC)NCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000825878307 635725198 /nfs/dbraw/zinc/72/51/98/635725198.db2.gz IWGQRSKFGMKQBJ-GOEBONIOSA-N 0 3 259.349 2.356 20 30 CEEDHN CC[C@@H]1CN(C(=O)c2cc(C#N)ccc2C)C[C@H](C)N1 ZINC000826679267 635810247 /nfs/dbraw/zinc/81/02/47/635810247.db2.gz ZBGSEJJZXZNBAA-GXTWGEPZSA-N 0 3 271.364 2.079 20 30 CEEDHN C#Cc1ccc(CNC(=O)N(CCC)[C@H]2CCN(C)C2)cc1 ZINC000827121255 636223631 /nfs/dbraw/zinc/22/36/31/636223631.db2.gz RNVGTJVXDCUMDN-KRWDZBQOSA-N 0 3 299.418 2.294 20 30 CEEDHN CC(C)C#CC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000827488006 636334059 /nfs/dbraw/zinc/33/40/59/636334059.db2.gz BVBCIGNVSFMZQD-UHFFFAOYSA-N 0 3 288.391 2.362 20 30 CEEDHN C#C[C@@H](NCc1cc2cnccc2o1)C1CCOCC1 ZINC000827554404 636351566 /nfs/dbraw/zinc/35/15/66/636351566.db2.gz DKFIBOAWYSOSIW-OAHLLOKOSA-N 0 3 270.332 2.346 20 30 CEEDHN C#C[C@@H](NCc1ccccc1N(C)C)C1CCOCC1 ZINC000827569817 636357057 /nfs/dbraw/zinc/35/70/57/636357057.db2.gz GSVHGIWNLZVCLB-MRXNPFEDSA-N 0 3 272.392 2.271 20 30 CEEDHN C#C[C@@H](NCc1ccc(F)c(F)c1)C1CCOCC1 ZINC000827570997 636357572 /nfs/dbraw/zinc/35/75/72/636357572.db2.gz VNHRFGOMONOAFT-OAHLLOKOSA-N 0 3 265.303 2.483 20 30 CEEDHN C#Cc1cnc(N2CCN(C3CCC(C)CC3)CC2)nc1 ZINC000827636645 636372217 /nfs/dbraw/zinc/37/22/17/636372217.db2.gz WRSILLPGDLXQDC-UHFFFAOYSA-N 0 3 284.407 2.159 20 30 CEEDHN C#CCN(Cc1cc(OC)c(OC)cc1O)C(C)C ZINC000905750783 636411765 /nfs/dbraw/zinc/41/17/65/636411765.db2.gz ZIHDDXSMXQHTLI-UHFFFAOYSA-N 0 3 263.337 2.253 20 30 CEEDHN C#CCCN(CCOC)Cc1cc2cccnc2o1 ZINC000827827800 636435698 /nfs/dbraw/zinc/43/56/98/636435698.db2.gz YPAOMNOIGJRAQG-UHFFFAOYSA-N 0 3 258.321 2.300 20 30 CEEDHN CC1(C)C[C@@]1(C)CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000905779448 636436285 /nfs/dbraw/zinc/43/62/85/636436285.db2.gz BIAVYTGXOPSQCV-CJNGLKHVSA-N 0 3 271.364 2.110 20 30 CEEDHN N#Cc1ccc([C@@H](N[C@@H]2C[C@@H]3CCCC[C@H]23)C(N)=O)cc1 ZINC000905799379 636466003 /nfs/dbraw/zinc/46/60/03/636466003.db2.gz PEIFIAODCOCRNF-CAOSSQGBSA-N 0 3 283.375 2.253 20 30 CEEDHN N#CC1(C[C@H](O)CN2CC(Cc3ccco3)C2)CCC1 ZINC000905965168 636538897 /nfs/dbraw/zinc/53/88/97/636538897.db2.gz KBIOKVSXVUKQFR-AWEZNQCLSA-N 0 3 274.364 2.199 20 30 CEEDHN C=CCN(C[C@@H]1CC2(CO1)CCOCC2)[C@H](C)COC ZINC000878889757 651204604 /nfs/dbraw/zinc/20/46/04/651204604.db2.gz HPRNMORSADFUHF-CABCVRRESA-N 0 3 283.412 2.095 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cn(CCC(C)=O)nn1 ZINC000906312873 636698235 /nfs/dbraw/zinc/69/82/35/636698235.db2.gz FASNKOCNILKYHP-ZBFHGGJFSA-N 0 3 290.411 2.482 20 30 CEEDHN Cc1cc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc(C)c1C#N ZINC000906654664 636811448 /nfs/dbraw/zinc/81/14/48/636811448.db2.gz LPAJLFRQSFZRAP-MRXNPFEDSA-N 0 3 297.402 2.484 20 30 CEEDHN C=C[C@@H](CC)CC(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000829563758 636880577 /nfs/dbraw/zinc/88/05/77/636880577.db2.gz MMELPJYZPZDEPP-MJBXVCDLSA-N 0 3 250.386 2.284 20 30 CEEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2)C1 ZINC000829775162 636927816 /nfs/dbraw/zinc/92/78/16/636927816.db2.gz YSBBSLGOBVOQHL-RDJZCZTQSA-N 0 3 284.403 2.427 20 30 CEEDHN C#CC[C@H]1CCCN(CCCCCS(=O)(=O)CC)C1 ZINC000829811144 636935794 /nfs/dbraw/zinc/93/57/94/636935794.db2.gz YNFSWXDXJCTYFD-HNNXBMFYSA-N 0 3 285.453 2.327 20 30 CEEDHN C#CC1CCN([C@H](C)C(=O)NC(C)(C)CC)CC1 ZINC000830316395 637033743 /nfs/dbraw/zinc/03/37/43/637033743.db2.gz QJVUKYJJZMLFEY-GFCCVEGCSA-N 0 3 250.386 2.025 20 30 CEEDHN C#C[C@H](CC)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000907714224 637096337 /nfs/dbraw/zinc/09/63/37/637096337.db2.gz IIAUQCSGDSPSNA-CYBMUJFWSA-N 0 3 269.348 2.432 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000876555097 650323884 /nfs/dbraw/zinc/32/38/84/650323884.db2.gz LYGSMOYAHIRMPY-DTWKUNHWSA-N 0 3 284.709 2.257 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C)ccc1OC ZINC000876547382 650318217 /nfs/dbraw/zinc/31/82/17/650318217.db2.gz QWYKMJQXKZBNPE-SNVBAGLBSA-N 0 3 268.744 2.412 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)c1ccccc1 ZINC000876561383 650328738 /nfs/dbraw/zinc/32/87/38/650328738.db2.gz IZSQIGIEQUURGM-MFKMUULPSA-N 0 3 266.772 2.376 20 30 CEEDHN C[C@@H](CC#N)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908576042 637416806 /nfs/dbraw/zinc/41/68/06/637416806.db2.gz XPLYBJXDDYFXPO-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCSC(C)(C)C ZINC000876594005 650336163 /nfs/dbraw/zinc/33/61/63/650336163.db2.gz QOVRPVTWJJRKPM-VIFPVBQESA-N 0 3 264.822 2.104 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C)ccc1NC(C)=O ZINC000876578259 650342714 /nfs/dbraw/zinc/34/27/14/650342714.db2.gz GVDCIFNUSOSTKE-NSHDSACASA-N 0 3 295.770 2.362 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc(C)c1 ZINC000876579896 650343408 /nfs/dbraw/zinc/34/34/08/650343408.db2.gz BMIPHHWTHUGPNQ-LBPRGKRZSA-N 0 3 252.745 2.081 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(CC)s1 ZINC000876598255 650352699 /nfs/dbraw/zinc/35/26/99/650352699.db2.gz LYSARQXCTMUESN-LLVKDONJSA-N 0 3 272.801 2.397 20 30 CEEDHN C=CCN(CC(F)(F)F)C(=O)[C@H](N)CC(=C)Cl ZINC000876618237 650361405 /nfs/dbraw/zinc/36/14/05/650361405.db2.gz NZWSMRHUMYQTER-MRVPVSSYSA-N 0 3 270.682 2.033 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2cc(OC)ccc21 ZINC000876630673 650367591 /nfs/dbraw/zinc/36/75/91/650367591.db2.gz HXTQEQNGUIRBDN-LBPRGKRZSA-N 0 3 280.755 2.054 20 30 CEEDHN C#CCOc1ccc([C@H](C)NC(COC)COC)cc1 ZINC000834894158 637980247 /nfs/dbraw/zinc/98/02/47/637980247.db2.gz ZPKOWXONRXREIA-ZDUSSCGKSA-N 0 3 277.364 2.011 20 30 CEEDHN CCC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccncc1 ZINC000834965563 638000609 /nfs/dbraw/zinc/00/06/09/638000609.db2.gz DHJIHTUZBIRNHC-OKILXGFUSA-N 0 3 271.368 2.056 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000835056591 638042380 /nfs/dbraw/zinc/04/23/80/638042380.db2.gz LNTQNUVWGWRIKD-RRFJBIMHSA-N 0 3 299.374 2.200 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000876670637 650391942 /nfs/dbraw/zinc/39/19/42/650391942.db2.gz OOAYCZYDBMTATC-DLOVCJGASA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](CCC)C1 ZINC000876687207 650400101 /nfs/dbraw/zinc/40/01/01/650400101.db2.gz GFZUXLKBXLUUAK-VXGBXAGGSA-N 0 3 258.793 2.495 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1sc(C)nc1C ZINC000876692346 650402632 /nfs/dbraw/zinc/40/26/32/650402632.db2.gz QTZMAMFYPANVQW-QMMMGPOBSA-N 0 3 259.762 2.168 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C)cc1OCC ZINC000876692412 650402785 /nfs/dbraw/zinc/40/27/85/650402785.db2.gz SBGZPSUSOWNCTH-CYBMUJFWSA-N 0 3 296.798 2.480 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccsn3)CCC[C@@H]12 ZINC000991301557 638240305 /nfs/dbraw/zinc/24/03/05/638240305.db2.gz QSVAEKJBTPXUPN-TZMCWYRMSA-N 0 3 277.393 2.056 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000876724992 650410611 /nfs/dbraw/zinc/41/06/11/650410611.db2.gz LOZNGYFTFVEZMS-LBPRGKRZSA-N 0 3 294.786 2.090 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCCc1ccccc1 ZINC000911944062 638479681 /nfs/dbraw/zinc/47/96/81/638479681.db2.gz SUFWOBLWQYWJMP-HNNXBMFYSA-N 0 3 260.381 2.419 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCc1ccc(F)cc1 ZINC000911952494 638485597 /nfs/dbraw/zinc/48/55/97/638485597.db2.gz RGFLRUPIUQUVLH-AWEZNQCLSA-N 0 3 264.344 2.168 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCOc1ccccc1F ZINC000912002847 638514340 /nfs/dbraw/zinc/51/43/40/638514340.db2.gz USQTXKNGCMYTBU-ZDUSSCGKSA-N 0 3 280.343 2.004 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC1CCCCCCC1 ZINC000836196379 638570259 /nfs/dbraw/zinc/57/02/59/638570259.db2.gz CFKNZJADTCVGRJ-UHFFFAOYSA-N 0 3 279.428 2.354 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000876788836 650432051 /nfs/dbraw/zinc/43/20/51/650432051.db2.gz RKTVTPWDAIBJJI-CHWSQXEVSA-N 0 3 279.771 2.215 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCCOc1ccccc1F ZINC000912149406 638588030 /nfs/dbraw/zinc/58/80/30/638588030.db2.gz CWFMESDFKRQWQL-AWEZNQCLSA-N 0 3 294.370 2.394 20 30 CEEDHN CCCCCCCC[C@H](N)C(=O)N1CCO[C@H](C)C1 ZINC000912169588 638595334 /nfs/dbraw/zinc/59/53/34/638595334.db2.gz YHNUBTBXFWUBGD-KGLIPLIRSA-N 0 3 270.417 2.312 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCCc1cccc(OC)c1 ZINC000912299764 638636941 /nfs/dbraw/zinc/63/69/41/638636941.db2.gz QSHNJUHZLVMWEN-OAHLLOKOSA-N 0 3 276.380 2.038 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000836490281 638648942 /nfs/dbraw/zinc/64/89/42/638648942.db2.gz ROQAQJODSRDQRW-RBSFLKMASA-N 0 3 279.428 2.065 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)[C@]2(C#N)CC3CCC2CC3)C1 ZINC000912684451 638758527 /nfs/dbraw/zinc/75/85/27/638758527.db2.gz WUACAERECDHDAZ-BOXZVXIZSA-N 0 3 289.423 2.307 20 30 CEEDHN C=CCCCCCN(C)CC(=O)NCc1ccccn1 ZINC000150888746 639002999 /nfs/dbraw/zinc/00/29/99/639002999.db2.gz SZCWATWDWXATBI-UHFFFAOYSA-N 0 3 275.396 2.376 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000876874240 650468090 /nfs/dbraw/zinc/46/80/90/650468090.db2.gz BFUBRTKOILGVEO-CMPLNLGQSA-N 0 3 258.793 2.492 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000876882418 650471552 /nfs/dbraw/zinc/47/15/52/650471552.db2.gz HXGNQUAJQWECFI-BQUFFADESA-N 0 3 270.804 2.493 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC000837410341 639218682 /nfs/dbraw/zinc/21/86/82/639218682.db2.gz PFLPISJDZZDKJF-ZDUSSCGKSA-N 0 3 250.386 2.027 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000876900284 650478899 /nfs/dbraw/zinc/47/88/99/650478899.db2.gz HEUCJIMQPZWUTR-CBBWQLFWSA-N 0 3 290.794 2.301 20 30 CEEDHN N#Cc1c(NC(=O)[C@H]2CC[C@H]3CCCCN32)n[nH]c1C1CC1 ZINC000913531287 639315614 /nfs/dbraw/zinc/31/56/14/639315614.db2.gz JQIZZZWOJOVEAW-DGCLKSJQSA-N 0 3 299.378 2.114 20 30 CEEDHN C#CCCCCCCN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000876805666 639381785 /nfs/dbraw/zinc/38/17/85/639381785.db2.gz DVDXCKUWQQRGBY-HOTGVXAUSA-N 0 3 265.397 2.450 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1C[C@H]1c1ccccc1C ZINC000876946591 650500613 /nfs/dbraw/zinc/50/06/13/650500613.db2.gz MPOVQHUGYNGFNK-BFHYXJOUSA-N 0 3 278.783 2.437 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3ccc(C)cc3)CCC[C@@H]12 ZINC000991686722 639560734 /nfs/dbraw/zinc/56/07/34/639560734.db2.gz YGDULUBBJAKXBT-MJGOQNOKSA-N 0 3 296.414 2.284 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2ccc(C)cc2C1 ZINC000876961977 650508187 /nfs/dbraw/zinc/50/81/87/650508187.db2.gz MXVHSCNOSJLFLV-AWEZNQCLSA-N 0 3 278.783 2.350 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC000876982919 650517981 /nfs/dbraw/zinc/51/79/81/650517981.db2.gz JJWYDLMKFWRTCB-STQMWFEESA-N 0 3 293.798 2.461 20 30 CEEDHN Cc1cc(N(C)C)ccc1C=NN[C@H]1CCSC1 ZINC000841636637 639805533 /nfs/dbraw/zinc/80/55/33/639805533.db2.gz BMRIWCGEUKIDDZ-ZDUSSCGKSA-N 0 3 263.410 2.490 20 30 CEEDHN CC[C@H](C)[C@](C)(O)CNCc1cc(C#N)cnc1Cl ZINC000877029526 650538077 /nfs/dbraw/zinc/53/80/77/650538077.db2.gz GDUAPJZDLYULAP-IINYFYTJSA-N 0 3 281.787 2.493 20 30 CEEDHN C#CCCCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000174094427 639898155 /nfs/dbraw/zinc/89/81/55/639898155.db2.gz MPSLGHRJMIVPDW-INIZCTEOSA-N 0 3 287.407 2.310 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3Cc4ccccc43)CCC[C@H]12 ZINC000992155796 639976283 /nfs/dbraw/zinc/97/62/83/639976283.db2.gz SMDFBYZCJVCCPT-ZIFCJYIRSA-N 0 3 294.398 2.073 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3Cc4ccccc43)CCC[C@@H]12 ZINC000992155795 639976462 /nfs/dbraw/zinc/97/64/62/639976462.db2.gz SMDFBYZCJVCCPT-ZHALLVOQSA-N 0 3 294.398 2.073 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3CC34CCCC4)CCC[C@H]12 ZINC000992376911 640035068 /nfs/dbraw/zinc/03/50/68/640035068.db2.gz GUQSTEIKLXZJJU-RLFYNMQTSA-N 0 3 286.419 2.313 20 30 CEEDHN CC[C@H](C)OCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000152305506 640202487 /nfs/dbraw/zinc/20/24/87/640202487.db2.gz GBUXXGVYYSMNCR-AAEUAGOBSA-N 0 3 274.320 2.149 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2cccs2)[C@@H]1C ZINC000992983248 640392809 /nfs/dbraw/zinc/39/28/09/640392809.db2.gz OBJPXNJYZZUPIW-ZFWWWQNUSA-N 0 3 290.432 2.283 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@H]1C ZINC000993026461 640406009 /nfs/dbraw/zinc/40/60/09/640406009.db2.gz SPFITIWSYPFNKK-DGCLKSJQSA-N 0 3 293.798 2.274 20 30 CEEDHN C#CC[C@H]1CCCN(Cc2cc(C(N)=O)cs2)C1 ZINC000843424673 640424687 /nfs/dbraw/zinc/42/46/87/640424687.db2.gz YJYUBIVSFDCRGI-NSHDSACASA-N 0 3 262.378 2.082 20 30 CEEDHN C#CC1CCN(Cc2ccc(N(C)CC)nc2)CC1 ZINC000843427190 640426868 /nfs/dbraw/zinc/42/68/68/640426868.db2.gz UZPXGSKESPIEBC-UHFFFAOYSA-N 0 3 257.381 2.383 20 30 CEEDHN C#CC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000843429106 640427904 /nfs/dbraw/zinc/42/79/04/640427904.db2.gz URBFBCRKXDEPNI-UHFFFAOYSA-N 0 3 284.338 2.252 20 30 CEEDHN CCCCOc1ccc(C=NNC(=N)N)cc1OCC ZINC000915051085 640505604 /nfs/dbraw/zinc/50/56/04/640505604.db2.gz UFSXOXPJOGEPGS-UHFFFAOYSA-N 0 3 278.356 2.081 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2nccn2CC)[C@@H]1C ZINC000993290802 640574147 /nfs/dbraw/zinc/57/41/47/640574147.db2.gz VPSAKDDLEKBJDH-KBPBESRZSA-N 0 3 290.411 2.062 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2[nH]ccc2C)[C@@H]1C ZINC000993300899 640575877 /nfs/dbraw/zinc/57/58/77/640575877.db2.gz YFXJXAATGJREBP-KBPBESRZSA-N 0 3 275.396 2.482 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C(C)=C2CCC2)[C@@H]1C ZINC000993313905 640590509 /nfs/dbraw/zinc/59/05/09/640590509.db2.gz OOZAFGRAWAHIHS-HOCLYGCPSA-N 0 3 274.408 2.479 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C)nc(C)c2)[C@H]1C ZINC000993393447 640632194 /nfs/dbraw/zinc/63/21/94/640632194.db2.gz LTQORPXKZRJBEW-WBVHZDCISA-N 0 3 299.418 2.304 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1csc(C)c1C ZINC000877147447 650594896 /nfs/dbraw/zinc/59/48/96/650594896.db2.gz FJRUAYJOVUUCPA-LLVKDONJSA-N 0 3 272.801 2.451 20 30 CEEDHN Cc1cc([C@@H](N)CC(=O)N(C)[C@@H](C)CC#N)cc(Cl)n1 ZINC000877146167 650594940 /nfs/dbraw/zinc/59/49/40/650594940.db2.gz UCIAGIQXKOURBC-JQWIXIFHSA-N 0 3 294.786 2.194 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cnc(C)o2)[C@H]1C ZINC000993413502 640639313 /nfs/dbraw/zinc/63/93/13/640639313.db2.gz MWQFAPJTWSAIHF-DOMZBBRYSA-N 0 3 291.395 2.071 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2ncccc2CC)[C@H]1C ZINC000993526385 640654556 /nfs/dbraw/zinc/65/45/56/640654556.db2.gz XFUBXDIILYYEIS-ZBFHGGJFSA-N 0 3 299.418 2.250 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C#C)cc2)[C@H]1C ZINC000993667887 640665649 /nfs/dbraw/zinc/66/56/49/640665649.db2.gz IHLUBZMVIOHTKO-CRAIPNDOSA-N 0 3 294.398 2.274 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2csc(=O)[nH]2)[C@@H]1C ZINC000993696894 640671048 /nfs/dbraw/zinc/67/10/48/640671048.db2.gz VOOTZNKZHFUDIC-QWRGUYRKSA-N 0 3 295.408 2.008 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2conc2CC)[C@@H]1C ZINC000993778505 640678127 /nfs/dbraw/zinc/67/81/27/640678127.db2.gz CSMHVCNYHCAUOW-WFASDCNBSA-N 0 3 291.395 2.396 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2occc2CC)[C@@H]1C ZINC000993785320 640678434 /nfs/dbraw/zinc/67/84/34/640678434.db2.gz DSMGJTBCIDACBE-ZFWWWQNUSA-N 0 3 288.391 2.448 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2conc2CC)[C@H]1C ZINC000993778497 640678874 /nfs/dbraw/zinc/67/88/74/640678874.db2.gz CSMHVCNYHCAUOW-DOMZBBRYSA-N 0 3 291.395 2.396 20 30 CEEDHN Oc1ccc(Cl)cc1C=NNCCN1CCCCC1 ZINC000915974547 640712508 /nfs/dbraw/zinc/71/25/08/640712508.db2.gz IGELLTVPSSDWHQ-UHFFFAOYSA-N 0 3 281.787 2.455 20 30 CEEDHN C#CCCCCCCN[C@@H](C)c1nnc2n1CCC2 ZINC000877164959 650605334 /nfs/dbraw/zinc/60/53/34/650605334.db2.gz DCYIUCPRWQJWMH-ZDUSSCGKSA-N 0 3 260.385 2.459 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)CCC(C)(F)F ZINC000916878433 640827739 /nfs/dbraw/zinc/82/77/39/640827739.db2.gz WHUZPNFDPBDQBC-SNVBAGLBSA-N 0 3 274.311 2.437 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C)nc2C)[C@H]1C ZINC000994503746 640854047 /nfs/dbraw/zinc/85/40/47/640854047.db2.gz WRPKCTYTADPQSR-NVXWUHKLSA-N 0 3 299.418 2.304 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC000917136740 640855663 /nfs/dbraw/zinc/85/56/63/640855663.db2.gz HJQLGWVVIOYXDV-DZKIICNBSA-N 0 3 291.439 2.372 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCc1cccc(CC)c1 ZINC000845221151 640930016 /nfs/dbraw/zinc/93/00/16/640930016.db2.gz QWOYOZYSEULORH-UHFFFAOYSA-N 0 3 287.407 2.003 20 30 CEEDHN C=C(C)CONC(=O)N(CCN(C)C)Cc1cccs1 ZINC000845600294 641010518 /nfs/dbraw/zinc/01/05/18/641010518.db2.gz GWFJPUAUAIICGW-UHFFFAOYSA-N 0 3 297.424 2.329 20 30 CEEDHN C=C[C@H](C)ONC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000845616269 641019989 /nfs/dbraw/zinc/01/99/89/641019989.db2.gz INEJGUDKPLVOHJ-SMDDNHRTSA-N 0 3 295.358 2.234 20 30 CEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1cccs1 ZINC000126429181 650638352 /nfs/dbraw/zinc/63/83/52/650638352.db2.gz SNQOFBSDLOYAQD-SECBINFHSA-N 0 3 271.301 2.104 20 30 CEEDHN CCN1C[C@H](CN[C@H](C)c2cccc(C#N)c2)OC1=O ZINC000846844531 641450459 /nfs/dbraw/zinc/45/04/59/641450459.db2.gz NXWIOMFYWVBHQU-RISCZKNCSA-N 0 3 273.336 2.050 20 30 CEEDHN C#C[C@@H]1CCCN([C@@H](C)C(=O)N2CCc3ccccc3C2)C1 ZINC000847026638 641533866 /nfs/dbraw/zinc/53/38/66/641533866.db2.gz GDIRBOQYTVTFRM-JKSUJKDBSA-N 0 3 296.414 2.305 20 30 CEEDHN C[C@H](C#N)OCCN(C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000847063556 641553550 /nfs/dbraw/zinc/55/35/50/641553550.db2.gz CFGRAQSSHAFXTA-SNVBAGLBSA-N 0 3 298.289 2.369 20 30 CEEDHN C#C[C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000847264611 641620919 /nfs/dbraw/zinc/62/09/19/641620919.db2.gz YTASILMQTSPKLG-NVXWUHKLSA-N 0 3 299.418 2.344 20 30 CEEDHN N#Cc1cnc(Cl)c(CNC2(CO)CCCCC2)c1 ZINC000877355140 650688121 /nfs/dbraw/zinc/68/81/21/650688121.db2.gz KXCGOVAASCWZJR-UHFFFAOYSA-N 0 3 279.771 2.391 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@@]2(CCc3ccccc32)C1 ZINC000877349155 650684336 /nfs/dbraw/zinc/68/43/36/650684336.db2.gz FCTXCTKILISXKM-AEFFLSMTSA-N 0 3 297.402 2.124 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)OC[C@H](C)N1CCCCC1 ZINC000847963191 641853003 /nfs/dbraw/zinc/85/30/03/641853003.db2.gz NWZREJGSJQIEQG-NSHDSACASA-N 0 3 275.352 2.226 20 30 CEEDHN O=[N+]([O-])c1ccc(N=NC2CCCN3CCCC[C@H]23)nc1 ZINC000848402615 641978953 /nfs/dbraw/zinc/97/89/53/641978953.db2.gz FIIJDLGSBFGYGS-CYBMUJFWSA-N 0 3 289.339 2.406 20 30 CEEDHN C#CCSCCN[C@@H](C)c1cn2ccccc2n1 ZINC000848534797 642040766 /nfs/dbraw/zinc/04/07/66/642040766.db2.gz VPHDIWZDALBNCP-LBPRGKRZSA-N 0 3 259.378 2.351 20 30 CEEDHN C=CCN(C)C[C@H](CCOC)NC(=O)OC(C)(C)C ZINC000877426828 650715542 /nfs/dbraw/zinc/71/55/42/650715542.db2.gz QUNQTZLBZYSILI-LBPRGKRZSA-N 0 3 272.389 2.034 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2c(n1)CCCC2 ZINC000877431466 650717349 /nfs/dbraw/zinc/71/73/49/650717349.db2.gz GMZLOVZPGDLPOU-ZDUSSCGKSA-N 0 3 286.379 2.310 20 30 CEEDHN N#CCCCC[C@H](N)c1nc(-c2ccn3cncc3c2)no1 ZINC000848630970 642082108 /nfs/dbraw/zinc/08/21/08/642082108.db2.gz BOPWLFUSKSFCIK-ZDUSSCGKSA-N 0 3 296.334 2.468 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN1CC[C@@H](O)C(C)(C)C1 ZINC000877461792 650729723 /nfs/dbraw/zinc/72/97/23/650729723.db2.gz KFYNRZXKOQZYKK-MRXNPFEDSA-N 0 3 287.407 2.217 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)C2C=CC=CC=C2)CC1 ZINC000997114897 642201432 /nfs/dbraw/zinc/20/14/32/642201432.db2.gz QKURGFVCQJYKAB-OAHLLOKOSA-N 0 3 284.403 2.135 20 30 CEEDHN 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PUYCTXNQKFRTBQ-KRWDZBQOSA-N 0 3 288.391 2.481 20 30 CEEDHN N#CC(C(=O)[C@H]1C[C@@]12CCOC2)c1nc2ccccc2[nH]1 ZINC000764758587 645685916 /nfs/dbraw/zinc/68/59/16/645685916.db2.gz MQKLDIMROLIVFO-GLKRBJQHSA-N 0 3 281.315 2.166 20 30 CEEDHN C#CCCCCC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000765204926 645743424 /nfs/dbraw/zinc/74/34/24/645743424.db2.gz KRNRYFLRFLVIRM-HNNXBMFYSA-N 0 3 262.397 2.313 20 30 CEEDHN C#CCCCCC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000765204927 645743618 /nfs/dbraw/zinc/74/36/18/645743618.db2.gz KRNRYFLRFLVIRM-OAHLLOKOSA-N 0 3 262.397 2.313 20 30 CEEDHN CC(CCN(C)C)=NNc1nc(=O)c2ccccc2[nH]1 ZINC000767384548 645983925 /nfs/dbraw/zinc/98/39/25/645983925.db2.gz FQBNUCREJPXRLV-UHFFFAOYSA-N 0 3 273.340 2.075 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)OC[C@@]1(C)C[C@@H](OC)CN1C ZINC000861346947 646137008 /nfs/dbraw/zinc/13/70/08/646137008.db2.gz DOBYBZHYBPJHPD-GZBFAFLISA-N 0 3 269.385 2.241 20 30 CEEDHN C=C(C)[C@H](CC(=O)OC[C@]1(C)C[C@@H](OC)CN1C)OCC ZINC000861347860 646137661 /nfs/dbraw/zinc/13/76/61/646137661.db2.gz ASPZKUZBQPJYBP-YCPHGPKFSA-N 0 3 299.411 2.010 20 30 CEEDHN CCCCCCN(C)CC(=O)N(C)[C@@H](C)CC#N ZINC000118331885 646204174 /nfs/dbraw/zinc/20/41/74/646204174.db2.gz HNXFFPIHWHEPAK-ZDUSSCGKSA-N 0 3 253.390 2.259 20 30 CEEDHN C#C[C@@H](C)NCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000862362714 646413372 /nfs/dbraw/zinc/41/33/72/646413372.db2.gz DJWVLACLRFCGTO-CYBMUJFWSA-N 0 3 291.826 2.203 20 30 CEEDHN C#CC[C@@H]1CCN(Cc2cc(C(=O)OC)c(C)o2)C1 ZINC000862445184 646463209 /nfs/dbraw/zinc/46/32/09/646463209.db2.gz NQWCCUXGDNAYAS-GFCCVEGCSA-N 0 3 261.321 2.220 20 30 CEEDHN C#CC[C@@H](CCOC)NCc1ccnc(Cl)c1F ZINC000862549193 646495479 /nfs/dbraw/zinc/49/54/79/646495479.db2.gz WUDLUOCLDBFDNZ-NSHDSACASA-N 0 3 270.735 2.392 20 30 CEEDHN C[C@@H]1[C@H](C)N(Cc2ccc(OCC#N)cc2)CCN1C ZINC000771462957 646522452 /nfs/dbraw/zinc/52/24/52/646522452.db2.gz XECARBGMQNCQGG-KGLIPLIRSA-N 0 3 273.380 2.113 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(F)CCCC2)CC1 ZINC000772039382 646588317 /nfs/dbraw/zinc/58/83/17/646588317.db2.gz XYKVVYOPLFITNG-UHFFFAOYSA-N 0 3 254.349 2.035 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]2c2ccsc2)CC1 ZINC000863004949 646614444 /nfs/dbraw/zinc/61/44/44/646614444.db2.gz JGNCOFPBHAUZNX-LSDHHAIUSA-N 0 3 288.416 2.065 20 30 CEEDHN N#CC(C(=O)Cc1ccco1)C(=O)Nc1ccccc1 ZINC000772647487 646654315 /nfs/dbraw/zinc/65/43/15/646654315.db2.gz YTGANHKDJCCKCS-ZDUSSCGKSA-N 0 3 268.272 2.170 20 30 CEEDHN Cc1cc(NN=Cc2cccc3c2OCCCO3)ccn1 ZINC000863158974 646658187 /nfs/dbraw/zinc/65/81/87/646658187.db2.gz XUVRCVRTIMAGCZ-UHFFFAOYSA-N 0 3 283.331 2.419 20 30 CEEDHN COCC(COC)NN=C1CCCC[C@@H]1N1CCCCC1 ZINC000863195588 646669336 /nfs/dbraw/zinc/66/93/36/646669336.db2.gz FULNLOZCYOYDNM-INIZCTEOSA-N 0 3 297.443 2.022 20 30 CEEDHN N#Cc1cccc(CN2CCC(c3nc[nH]n3)CC2)c1F ZINC000774659863 646874557 /nfs/dbraw/zinc/87/45/57/646874557.db2.gz MGTLWVAJCTUQFZ-UHFFFAOYSA-N 0 3 285.326 2.195 20 30 CEEDHN C[C@@]1(NC(=O)CC2(C#N)CCCCC2)CN2CCC1CC2 ZINC000864084521 646892435 /nfs/dbraw/zinc/89/24/35/646892435.db2.gz KUVLXVIZIIAINZ-MRXNPFEDSA-N 0 3 289.423 2.451 20 30 CEEDHN C#C[C@H](NCc1cc(OCC)ccc1O)[C@H]1CCCO1 ZINC000775343381 646943532 /nfs/dbraw/zinc/94/35/32/646943532.db2.gz WQYNYMSYXUTEHL-GOEBONIOSA-N 0 3 275.348 2.061 20 30 CEEDHN CCN(CC)C(=O)CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000775384495 646948454 /nfs/dbraw/zinc/94/84/54/646948454.db2.gz TVQZNCBYJAKFIX-INIZCTEOSA-N 0 3 285.391 2.394 20 30 CEEDHN C[C@H](C#N)CN(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775655267 646976740 /nfs/dbraw/zinc/97/67/40/646976740.db2.gz CDHHDYOXHXTHBM-OAHLLOKOSA-N 0 3 286.423 2.030 20 30 CEEDHN N#Cc1cc(Cl)ccc1CN[C@H](CCO)C1CC1 ZINC000775669734 646978513 /nfs/dbraw/zinc/97/85/13/646978513.db2.gz ICMRRIVTRHAKPZ-CQSZACIVSA-N 0 3 264.756 2.462 20 30 CEEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccncc1Cl ZINC000776187150 647033335 /nfs/dbraw/zinc/03/33/35/647033335.db2.gz APKMGBFEKUDJIU-UHFFFAOYSA-N 0 3 275.743 2.064 20 30 CEEDHN CCC(=NNC(=N)N)c1cc(F)cc(Br)c1 ZINC000776186713 647033374 /nfs/dbraw/zinc/03/33/74/647033374.db2.gz XSJHTJYXNCRQKB-UHFFFAOYSA-N 0 3 287.136 2.185 20 30 CEEDHN N#Cc1c[nH]c2cc(C(=O)N[C@@H]3CCN(C4CC4)C3)ccc12 ZINC000865008350 647154601 /nfs/dbraw/zinc/15/46/01/647154601.db2.gz YUOZNJFTWYCRNK-CYBMUJFWSA-N 0 3 294.358 2.006 20 30 CEEDHN C=C[C@@H](C)NCc1cc(OC)ccc1OCOC ZINC000120517916 647254387 /nfs/dbraw/zinc/25/43/87/647254387.db2.gz LUHVTAPSGROWJG-LLVKDONJSA-N 0 3 251.326 2.342 20 30 CEEDHN CC(C)CC(=NNC1=NC[C@H](C)N1)c1ccccc1 ZINC000779793282 647354471 /nfs/dbraw/zinc/35/44/71/647354471.db2.gz RSOHWIBVOBCZHG-LBPRGKRZSA-N 0 3 258.369 2.374 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)CC1N=Nc1ccncc1 ZINC000779808799 647359197 /nfs/dbraw/zinc/35/91/97/647359197.db2.gz ANONPUIDVYUSBJ-AWEZNQCLSA-N 0 3 280.375 2.423 20 30 CEEDHN C=CCOCCCNCc1cc2c(cc[nH]c2=O)o1 ZINC000865626676 647394477 /nfs/dbraw/zinc/39/44/77/647394477.db2.gz BDYMHAJOLMKURR-UHFFFAOYSA-N 0 3 262.309 2.216 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1 ZINC000780305579 647415779 /nfs/dbraw/zinc/41/57/79/647415779.db2.gz MNISTKBXVXPZNH-HGTKMLMNSA-N 0 3 298.342 2.067 20 30 CEEDHN CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000780979762 647487266 /nfs/dbraw/zinc/48/72/66/647487266.db2.gz HUFGGZWKMXYGOB-ZFWWWQNUSA-N 0 3 295.427 2.311 20 30 CEEDHN C#CCOc1ccc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000781184994 647505637 /nfs/dbraw/zinc/50/56/37/647505637.db2.gz QRFXHCMVUWOAAC-CQSZACIVSA-N 0 3 298.386 2.079 20 30 CEEDHN COC(=O)CCN1CCC(=NN[C@H]2CCCC2(C)C)CC1 ZINC000782285571 647608506 /nfs/dbraw/zinc/60/85/06/647608506.db2.gz DQUSFQSJDRPVBS-AWEZNQCLSA-N 0 3 295.427 2.170 20 30 CEEDHN N#Cc1ccc(OCCCN2CCOCC3(CC3)C2)cc1 ZINC000782535884 647634545 /nfs/dbraw/zinc/63/45/45/647634545.db2.gz NYMWGUVZTOZYHY-UHFFFAOYSA-N 0 3 286.375 2.440 20 30 CEEDHN CN(CCN1CC2(C1)CCOCC2)c1ccc(C#N)cc1 ZINC000866256140 647698515 /nfs/dbraw/zinc/69/85/15/647698515.db2.gz HNALAPDWPDDZJT-UHFFFAOYSA-N 0 3 285.391 2.107 20 30 CEEDHN N#Cc1ccc(CNC2CCN(c3nccs3)CC2)nc1 ZINC000783294064 647707073 /nfs/dbraw/zinc/70/70/73/647707073.db2.gz MBAGNKUAXBCKIU-UHFFFAOYSA-N 0 3 299.403 2.168 20 30 CEEDHN COCC[C@H](C)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000866588888 647834298 /nfs/dbraw/zinc/83/42/98/647834298.db2.gz AMZAFYKVVBNNPP-ZDUSSCGKSA-N 0 3 291.370 2.244 20 30 CEEDHN C[C@@H](C#N)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000785712398 647949867 /nfs/dbraw/zinc/94/98/67/647949867.db2.gz IKPDDFJHSGHVTH-LBPRGKRZSA-N 0 3 258.321 2.351 20 30 CEEDHN CCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786551081 648026577 /nfs/dbraw/zinc/02/65/77/648026577.db2.gz ZUCJVTHRZQANEZ-ZDUSSCGKSA-N 0 3 258.321 2.120 20 30 CEEDHN CN(Cc1ccc2cc[nH]c2c1)C(=O)[C@@H](N)CCCC#N ZINC000868048054 648033873 /nfs/dbraw/zinc/03/38/73/648033873.db2.gz SMFLKLDJBMPUBT-AWEZNQCLSA-N 0 3 284.363 2.147 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cncc(C(F)F)c1 ZINC000868051121 648035238 /nfs/dbraw/zinc/03/52/38/648035238.db2.gz HYCSEAFPUNIYME-LLVKDONJSA-N 0 3 282.294 2.369 20 30 CEEDHN C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787069931 648070302 /nfs/dbraw/zinc/07/03/02/648070302.db2.gz UEKKYRQAPKDXIY-MRVWCRGKSA-N 0 3 270.332 2.010 20 30 CEEDHN C=CCC[C@H](C)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000872097075 649273318 /nfs/dbraw/zinc/27/33/18/649273318.db2.gz JUAJNUMZBMUVKZ-IHRRRGAJSA-N 0 3 269.385 2.193 20 30 CEEDHN N#Cc1ccc(CN[C@]23CCC[C@H]2OCC3)c([N+](=O)[O-])c1 ZINC000872316673 649355414 /nfs/dbraw/zinc/35/54/14/649355414.db2.gz QOXXXQQWMWNRKI-CABCVRRESA-N 0 3 287.319 2.268 20 30 CEEDHN Cc1cccc([C@@H](C)C(=O)C(C#N)C(=O)NC2CC2)c1 ZINC000124058673 649365164 /nfs/dbraw/zinc/36/51/64/649365164.db2.gz SHXRPBANYRMZBP-BXUZGUMPSA-N 0 3 270.332 2.086 20 30 CEEDHN CN1CCC[C@H]2[C@@H]1CCN2c1nc(C#N)c(Cl)s1 ZINC000872778301 649485809 /nfs/dbraw/zinc/48/58/09/649485809.db2.gz FUTIWOCDGNPNPV-UWVGGRQHSA-N 0 3 282.800 2.341 20 30 CEEDHN CCc1ccc(C#CC(=O)N2CC[C@H]3[C@@H]2CCCN3C)cc1 ZINC000874826349 649843024 /nfs/dbraw/zinc/84/30/24/649843024.db2.gz NIQZVICJHSBNCM-ROUUACIJSA-N 0 3 296.414 2.296 20 30 CEEDHN C=C/C=C/CCN1CCN(c2cccc(C#N)n2)CC1 ZINC000878433365 651095031 /nfs/dbraw/zinc/09/50/31/651095031.db2.gz AIRHQQOSTAVIMF-ONEGZZNKSA-N 0 3 268.364 2.208 20 30 CEEDHN C=CCN(C[C@@H]1CC2(CCC2)CO1)[C@H](C)COC ZINC000878889787 651204386 /nfs/dbraw/zinc/20/43/86/651204386.db2.gz IIIDLRMJOFLOCK-KGLIPLIRSA-N 0 3 253.386 2.469 20 30 CEEDHN C[C@H](C#N)OCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000879023225 651230178 /nfs/dbraw/zinc/23/01/78/651230178.db2.gz JLPYNIRBZVITHL-CYBMUJFWSA-N 0 3 284.363 2.061 20 30 CEEDHN C[C@@]1(C2CCCCC2)CCN1CC(=O)NCCC#N ZINC000879788381 651351339 /nfs/dbraw/zinc/35/13/39/651351339.db2.gz YQIZXICPIBDLTI-HNNXBMFYSA-N 0 3 263.385 2.061 20 30 CEEDHN C=C(Br)Cn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000881427879 651718978 /nfs/dbraw/zinc/71/89/78/651718978.db2.gz SUCFHTGSKZTSMW-SECBINFHSA-N 0 3 273.178 2.233 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)CCCSC ZINC000130974486 652363393 /nfs/dbraw/zinc/36/33/93/652363393.db2.gz CPCBTFPDFNXHKU-LLVKDONJSA-N 0 3 270.398 2.145 20 30 CEEDHN C#CC[C@@H](CO)NCc1cccc(OCc2ccccn2)c1 ZINC000883124166 652369448 /nfs/dbraw/zinc/36/94/48/652369448.db2.gz YSDGCNOODCKWHZ-INIZCTEOSA-N 0 3 296.370 2.134 20 30 CEEDHN CC#CC[C@@H](CO)NCc1c(C2CC2)nc2sccn12 ZINC000883156914 652382213 /nfs/dbraw/zinc/38/22/13/652382213.db2.gz FPMYPFQACITWCS-LBPRGKRZSA-N 0 3 289.404 2.137 20 30 CEEDHN C=CCC[C@H](NCc1snnc1C)[C@H]1CCCO1 ZINC000883224807 652405689 /nfs/dbraw/zinc/40/56/89/652405689.db2.gz UBZUDBNEBYVTGC-NWDGAFQWSA-N 0 3 267.398 2.450 20 30 CEEDHN CCN1CC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000883355332 652439703 /nfs/dbraw/zinc/43/97/03/652439703.db2.gz ONWSISOWQQPNIM-DGCLKSJQSA-N 0 3 261.344 2.442 20 30 CEEDHN C[C@@H](N[C@H]1CC(=O)N(CC2CC2)C1)c1cccc(C#N)c1 ZINC000883395094 652454200 /nfs/dbraw/zinc/45/42/00/652454200.db2.gz NLQZVOBQCAEOFB-WBMJQRKESA-N 0 3 283.375 2.220 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cccc2c1OCCCO2 ZINC000883401693 652457309 /nfs/dbraw/zinc/45/73/09/652457309.db2.gz UZGICGVQNSILNZ-CQSZACIVSA-N 0 3 277.364 2.265 20 30 CEEDHN CC(C)CCC[C@H](C)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884046374 652657480 /nfs/dbraw/zinc/65/74/80/652657480.db2.gz BPWAEEYNEVVWJK-BOLLXYOYSA-N 0 3 291.439 2.457 20 30 CEEDHN Cc1ccc([C@H](C)NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1 ZINC000884068657 652693953 /nfs/dbraw/zinc/69/39/53/652693953.db2.gz ZZTRQHKSNGZWDT-OBYFKMTLSA-N 0 3 297.402 2.312 20 30 CEEDHN C=CCOc1cccc(NC(=O)[C@@H](N)CC2CC2)c1 ZINC000884102342 652708998 /nfs/dbraw/zinc/70/89/98/652708998.db2.gz YWWBWMOSEIYHMM-AWEZNQCLSA-N 0 3 260.337 2.317 20 30 CEEDHN C[C@@H]1CC[C@H](NC(=O)C2CC3(C2)CNC[C@H]3C#N)[C@H](C)C1 ZINC000884137910 652723668 /nfs/dbraw/zinc/72/36/68/652723668.db2.gz YRMMTPRIDKESKA-CCQVXWAESA-N 0 3 289.423 2.067 20 30 CEEDHN CC[C@H]1CCCCCN1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884144204 652727374 /nfs/dbraw/zinc/72/73/74/652727374.db2.gz DWJUOCANQYZVBD-DGNOSDGRSA-N 0 3 289.423 2.307 20 30 CEEDHN CC[C@H](C)CN(CC)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884167433 652738586 /nfs/dbraw/zinc/73/85/86/652738586.db2.gz DOGMOQAVWCSIQE-REWIBIJMSA-N 0 3 277.412 2.020 20 30 CEEDHN CC(C)[C@H](C)N(C(=O)C1CC2(C1)CNC[C@H]2C#N)C1CC1 ZINC000884307826 652789910 /nfs/dbraw/zinc/78/99/10/652789910.db2.gz WDLYPPSDCDIOBD-XCCIUEIHSA-N 0 3 289.423 2.161 20 30 CEEDHN C=CCCC(=O)COC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885478749 653013308 /nfs/dbraw/zinc/01/33/08/653013308.db2.gz UDPVLOVXORINEI-CYBMUJFWSA-N 0 3 295.379 2.102 20 30 CEEDHN Cc1cc(C#N)cc(N2CCN(CC(C)C)CC2)n1 ZINC000161043162 719339387 /nfs/dbraw/zinc/33/93/87/719339387.db2.gz OGLDNOVELGLCHI-UHFFFAOYSA-N 0 3 258.369 2.040 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccoc2)[C@H]1CC ZINC001087501879 805604158 /nfs/dbraw/zinc/60/41/58/805604158.db2.gz FLLHGFHHTNWWDZ-UONOGXRCSA-N 0 3 262.353 2.438 20 30 CEEDHN C#CCN1CCC(C)(CNC(=O)CCCC=C)CC1 ZINC001270906701 805679156 /nfs/dbraw/zinc/67/91/56/805679156.db2.gz PHYVBTBTKSDFID-UHFFFAOYSA-N 0 3 262.397 2.194 20 30 CEEDHN CC#CCN1CCC[C@](C)(CNC(=O)C2(CC)CC2)C1 ZINC001270991478 805708264 /nfs/dbraw/zinc/70/82/64/805708264.db2.gz OPDCYDJWACPDQO-MRXNPFEDSA-N 0 3 276.424 2.418 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccn(C(F)F)n2)[C@H]1CC ZINC001087586695 805756707 /nfs/dbraw/zinc/75/67/07/805756707.db2.gz XYIUVQZXRBASMI-CMPLNLGQSA-N 0 3 298.337 2.047 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3n[nH]cc3c2)[C@H]1CC ZINC001087705424 805776552 /nfs/dbraw/zinc/77/65/52/805776552.db2.gz NNBRJYQLBJFPGU-JKSUJKDBSA-N 0 3 298.390 2.332 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C2CC3(CC3)C2)[C@H]1CC ZINC001087720006 805779003 /nfs/dbraw/zinc/77/90/03/805779003.db2.gz YROCZNVLIJQCSG-UONOGXRCSA-N 0 3 262.397 2.332 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)Cc2occc2C)[C@H]1CC ZINC001087716595 805779989 /nfs/dbraw/zinc/77/99/89/805779989.db2.gz UXAXALUASBKDSF-UONOGXRCSA-N 0 3 276.380 2.286 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)CC(C)(C)C)C[C@@H]2C1 ZINC001087886660 805841286 /nfs/dbraw/zinc/84/12/86/805841286.db2.gz UCGFFEPDMKFGLB-CABCVRRESA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccsc3C)C[C@@H]2C1 ZINC001087959551 805865323 /nfs/dbraw/zinc/86/53/23/805865323.db2.gz BVSGIGYMMYIEFK-KGLIPLIRSA-N 0 3 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C=CCCN1CC[C@H](N(CCC)C(=O)C(F)F)C1 ZINC001267539843 803537040 /nfs/dbraw/zinc/53/70/40/803537040.db2.gz QWMCZDQJCBQVCZ-NSHDSACASA-N 0 3 260.328 2.141 20 30 CEEDHN N#Cc1c2c(cnc1-n1nc(CN)c3ccccc31)CCC2 ZINC001167697130 803570542 /nfs/dbraw/zinc/57/05/42/803570542.db2.gz ONPJAPKYNMTFMO-UHFFFAOYSA-N 0 3 289.342 2.240 20 30 CEEDHN C=CCCCC(=O)N[C@H]1CCCN(CC(=C)C)C1 ZINC001267629691 803631971 /nfs/dbraw/zinc/63/19/71/803631971.db2.gz FQIIMWARSXUCMF-AWEZNQCLSA-N 0 3 250.386 2.499 20 30 CEEDHN CC/C=C\CCN1CC(CNC(=O)C#CC(C)C)C1 ZINC001267680854 803655245 /nfs/dbraw/zinc/65/52/45/803655245.db2.gz ZIKSBKKOXWGYNS-WAYWQWQTSA-N 0 3 262.397 2.050 20 30 CEEDHN CCCCCCCN1CC(CNC(=O)c2csnn2)C1 ZINC001267686189 803657933 /nfs/dbraw/zinc/65/79/33/803657933.db2.gz LCCSTQHDODBBIN-UHFFFAOYSA-N 0 3 296.440 2.170 20 30 CEEDHN C=C[C@H](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC1 ZINC001267712094 803669905 /nfs/dbraw/zinc/66/99/05/803669905.db2.gz LGMDKKRZYJHHFL-SNPRPXQTSA-N 0 3 262.397 2.284 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)CC(C)(C)C(F)(F)F)C1 ZINC001267734163 803682681 /nfs/dbraw/zinc/68/26/81/803682681.db2.gz WIYVTNUHOPJXRL-NSHDSACASA-N 0 3 290.329 2.179 20 30 CEEDHN C[C@@H](C#N)C(=O)N(C)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001267758205 803714010 /nfs/dbraw/zinc/71/40/10/803714010.db2.gz AJIIYMCWWONAKH-ZFWWWQNUSA-N 0 3 275.396 2.179 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CCCC#CC)C1 ZINC001267770883 803722706 /nfs/dbraw/zinc/72/27/06/803722706.db2.gz UKGGQUJFWKQSKO-HNNXBMFYSA-N 0 3 262.397 2.289 20 30 CEEDHN C=CCC(CC=C)C(=O)N(CC)[C@@H]1CCN(C[C@@H](C)O)C1 ZINC001267787298 803734289 /nfs/dbraw/zinc/73/42/89/803734289.db2.gz ZOMWEELZHIQVFA-GDBMZVCRSA-N 0 3 294.439 2.058 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCCC)C1 ZINC001111597100 803780287 /nfs/dbraw/zinc/78/02/87/803780287.db2.gz GZPNEZDBOLZEMW-HOCLYGCPSA-N 0 3 262.397 2.171 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC001027358030 804048606 /nfs/dbraw/zinc/04/86/06/804048606.db2.gz HDDUYBMDMODMNV-OAHLLOKOSA-N 0 3 262.397 2.123 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264.413 2.369 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccccc1C ZINC001027729317 804225964 /nfs/dbraw/zinc/22/59/64/804225964.db2.gz ANPZJHRRGRFSTR-OAHLLOKOSA-N 0 3 270.376 2.213 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001027759331 804243263 /nfs/dbraw/zinc/24/32/63/804243263.db2.gz JUDCDASSMYNDLP-NSHDSACASA-N 0 3 280.755 2.151 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001027759329 804243362 /nfs/dbraw/zinc/24/33/62/804243362.db2.gz JUDCDASSMYNDLP-LLVKDONJSA-N 0 3 280.755 2.151 20 30 CEEDHN C=C(C)CCN1CCC[C@H]1CNC(=O)c1cncs1 ZINC001027778294 804253124 /nfs/dbraw/zinc/25/31/24/804253124.db2.gz OWCCEDQAZHTMSL-LBPRGKRZSA-N 0 3 279.409 2.304 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ncccc1CC ZINC001027982330 804379831 /nfs/dbraw/zinc/37/98/31/804379831.db2.gz QFQQAOKBQYWKRJ-OAHLLOKOSA-N 0 3 287.407 2.414 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1c[nH]nc1C(C)C ZINC001027987927 804382488 /nfs/dbraw/zinc/38/24/88/804382488.db2.gz NBSJMYWUSBAUBD-ZDUSSCGKSA-N 0 3 290.411 2.303 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001028124784 804480199 /nfs/dbraw/zinc/48/01/99/804480199.db2.gz VPAYYBJXRQRQFZ-SNVBAGLBSA-N 0 3 267.760 2.048 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccn2ccnc12 ZINC001028198333 804535930 /nfs/dbraw/zinc/53/59/30/804535930.db2.gz DSNNLHRITMHFSE-AWEZNQCLSA-N 0 3 298.390 2.105 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccnc(C)c1 ZINC001028212614 804554709 /nfs/dbraw/zinc/55/47/09/804554709.db2.gz LDQPLXDUZYUFJK-OAHLLOKOSA-N 0 3 273.380 2.160 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1ccsc1C ZINC001268237031 804563380 /nfs/dbraw/zinc/56/33/80/804563380.db2.gz CGLUTNIZOVUZFH-UHFFFAOYSA-N 0 3 252.383 2.246 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)C(C)(C)C(C)C ZINC001268240318 804566596 /nfs/dbraw/zinc/56/65/96/804566596.db2.gz WPSPUXNSNOPCNQ-UHFFFAOYSA-N 0 3 252.402 2.082 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)[C@@H](CCC)C(C)C ZINC001268254360 804576734 /nfs/dbraw/zinc/57/67/34/804576734.db2.gz YYQPFVLZOCVXTB-HNNXBMFYSA-N 0 3 266.429 2.472 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(F)cc1C ZINC001028278010 804657935 /nfs/dbraw/zinc/65/79/35/804657935.db2.gz BNQADVUDDXPIAQ-OAHLLOKOSA-N 0 3 288.366 2.352 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001139873885 804695454 /nfs/dbraw/zinc/69/54/54/804695454.db2.gz HEACMSHSTFGFDJ-JKSUJKDBSA-N 0 3 287.407 2.151 20 30 CEEDHN CCCCCCCN1C[C@@H](NC(=O)C2CC2)[C@H](OC)C1 ZINC001211747937 804721521 /nfs/dbraw/zinc/72/15/21/804721521.db2.gz FZRZTWICCHQYPJ-HUUCEWRRSA-N 0 3 282.428 2.182 20 30 CEEDHN C[C@@H]1C[C@@H](NCCC#N)CN(Cc2ccccc2)C1 ZINC000425988196 804731985 /nfs/dbraw/zinc/73/19/85/804731985.db2.gz FGKOJYLPDVVLJS-GDBMZVCRSA-N 0 3 257.381 2.400 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2cccc3c2CCCC3)C1 ZINC001028564129 804838653 /nfs/dbraw/zinc/83/86/53/804838653.db2.gz VNSFPEJJSJGMCN-OAHLLOKOSA-N 0 3 296.414 2.250 20 30 CEEDHN C#CCNC/C=C\CNC(=O)C[C@H](C)c1cccc(F)c1 ZINC001268591110 804859202 /nfs/dbraw/zinc/85/92/02/804859202.db2.gz QAUUCDVNDPGQFX-WSNITJDQSA-N 0 3 288.366 2.215 20 30 CEEDHN C#CCNC/C=C/CNC(=O)CCc1ccc(CC)cc1 ZINC001268627808 804895619 /nfs/dbraw/zinc/89/56/19/804895619.db2.gz XWXMSFNFTQQVTL-AATRIKPKSA-N 0 3 284.403 2.077 20 30 CEEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)C[C@@H]1C=CCC1 ZINC001268679488 804923868 /nfs/dbraw/zinc/92/38/68/804923868.db2.gz GRHULWQOGJYQLL-FUHWJXTLSA-N 0 3 296.414 2.489 20 30 CEEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CC[C@H](F)C1 ZINC001268826954 804983393 /nfs/dbraw/zinc/98/33/93/804983393.db2.gz VNNDDLJMDXTBFU-NEPJUHHUSA-N 0 3 276.783 2.315 20 30 CEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CC1 ZINC001268955929 805010274 /nfs/dbraw/zinc/01/02/74/805010274.db2.gz SGJKCJXJBKZSKT-KBPBESRZSA-N 0 3 262.397 2.428 20 30 CEEDHN C=C(C)CCC(=O)N[C@@H](CNCc1cccnc1)C1CC1 ZINC001269076519 805041256 /nfs/dbraw/zinc/04/12/56/805041256.db2.gz WCXCPWLGWOBXPW-INIZCTEOSA-N 0 3 287.407 2.422 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)COc2cccc(C)c2)C1 ZINC001269091967 805045176 /nfs/dbraw/zinc/04/51/76/805045176.db2.gz FRGSMGJNTCQHFZ-HNNXBMFYSA-N 0 3 288.391 2.140 20 30 CEEDHN CC(C)C#CC(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001269126648 805057290 /nfs/dbraw/zinc/05/72/90/805057290.db2.gz VWTWEIVAOOWXNS-CQSZACIVSA-N 0 3 290.432 2.141 20 30 CEEDHN C#CCCCCC(=O)N(C)[C@@H]1CCN(CC(=C)C)C1 ZINC001269233547 805094664 /nfs/dbraw/zinc/09/46/64/805094664.db2.gz JFSDTJZUEDQYBR-OAHLLOKOSA-N 0 3 262.397 2.289 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc(Cl)ccc2F)C1 ZINC001028674510 805095590 /nfs/dbraw/zinc/09/55/90/805095590.db2.gz WJZBUTMFWPJRHO-NSHDSACASA-N 0 3 294.757 2.164 20 30 CEEDHN C=C(C)CCC(=O)NC[C@@H]1CCN1CCC[C@H]1CCOC1 ZINC001269240629 805098179 /nfs/dbraw/zinc/09/81/79/805098179.db2.gz MPQYXSZIUOEVBR-HOTGVXAUSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)C1(C(F)(F)F)CCC1 ZINC001269255105 805101739 /nfs/dbraw/zinc/10/17/39/805101739.db2.gz LOJOOVMVSMRCLF-LLVKDONJSA-N 0 3 290.329 2.486 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1CCCCCC ZINC001269292880 805116398 /nfs/dbraw/zinc/11/63/98/805116398.db2.gz SPZHTLHLMBBVQO-XHSDSOJGSA-N 0 3 294.439 2.348 20 30 CEEDHN CC#CCNC1(CNC(=O)c2cccc3c2ccn3C)CC1 ZINC001269508227 805183297 /nfs/dbraw/zinc/18/32/97/805183297.db2.gz HDSLQTWZSNLLIA-UHFFFAOYSA-N 0 3 295.386 2.054 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001028860356 805318471 /nfs/dbraw/zinc/31/84/71/805318471.db2.gz VCSDVKUBWLAXCP-BPQIPLTHSA-N 0 3 296.414 2.170 20 30 CEEDHN C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1 ZINC001270138518 805351006 /nfs/dbraw/zinc/35/10/06/805351006.db2.gz FMIXNRAKBSEWDZ-VBNZEHGJSA-N 0 3 283.375 2.090 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(F)cc2Cl)C1 ZINC001028969956 805393192 /nfs/dbraw/zinc/39/31/92/805393192.db2.gz QXBQIGYNKFKDQV-LLVKDONJSA-N 0 3 294.757 2.164 20 30 CEEDHN C#CCN(C(=O)c1ccnc(C)c1)C1CCN(CC=C)CC1 ZINC001270351443 805409119 /nfs/dbraw/zinc/40/91/19/805409119.db2.gz OLOBDQYECPLRQU-UHFFFAOYSA-N 0 3 297.402 2.116 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2ccc(Cl)cn2)CC1 ZINC000339935138 805497222 /nfs/dbraw/zinc/49/72/22/805497222.db2.gz MZRBXNDLJRJNNY-UHFFFAOYSA-N 0 3 293.798 2.044 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)C(C)(F)F)C1 ZINC001098696230 805519433 /nfs/dbraw/zinc/51/94/33/805519433.db2.gz LXSFVCFLDQFNLK-FZMZJTMJSA-N 0 3 272.339 2.188 20 30 CEEDHN CC[C@@H]1[C@@H](NC(C)=O)CCN1Cc1cccc(C#N)c1 ZINC001087478194 805523267 /nfs/dbraw/zinc/52/32/67/805523267.db2.gz FDMNJDXTMLWOPA-JKSUJKDBSA-N 0 3 271.364 2.047 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccncc3C)[C@@H]2C1 ZINC001075766693 805543213 /nfs/dbraw/zinc/54/32/13/805543213.db2.gz BFSSXKCOTXDFFU-GOEBONIOSA-N 0 3 285.391 2.112 20 30 CEEDHN CC(C)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCC#N ZINC001119322287 815090762 /nfs/dbraw/zinc/09/07/62/815090762.db2.gz NTNHZDMJUOXHQT-HOTGVXAUSA-N 0 3 287.407 2.391 20 30 CEEDHN C[C@@H](CC(C)(C)C#N)NC[C@](C)(O)C(F)(F)F ZINC000698613059 807266859 /nfs/dbraw/zinc/26/68/59/807266859.db2.gz LQVRRFVPAVWMTL-WPRPVWTQSA-N 0 3 252.280 2.218 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)[C@H]1C ZINC001088971366 807300325 /nfs/dbraw/zinc/30/03/25/807300325.db2.gz MCOLNDCIIPXEOE-LZWOXQAQSA-N 0 3 276.424 2.415 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)c(CC)o2)[C@H]1C ZINC001088975546 807300784 /nfs/dbraw/zinc/30/07/84/807300784.db2.gz CRWYDOQLEKWVFO-KGLIPLIRSA-N 0 3 288.391 2.366 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)N(C)CC3)[C@H]1C ZINC001089014790 807311947 /nfs/dbraw/zinc/31/19/47/807311947.db2.gz NODQGBXPXOQOCL-CJNGLKHVSA-N 0 3 299.418 2.058 20 30 CEEDHN C[C@H]1CC[C@H](CO)CN1Cc1ccc(C#N)s1 ZINC001232842191 807322821 /nfs/dbraw/zinc/32/28/21/807322821.db2.gz NKPXTTYZTXPFMW-QWRGUYRKSA-N 0 3 250.367 2.213 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H](C2CCOCC2)C1 ZINC001122251229 807631202 /nfs/dbraw/zinc/63/12/02/807631202.db2.gz ZBAHOWVLNRDXJT-JKSUJKDBSA-N 0 3 294.439 2.335 20 30 CEEDHN CN1CC[C@]2(CCCN(Cc3cccc(C#N)c3)CC2)C1=O ZINC001272650814 807876185 /nfs/dbraw/zinc/87/61/85/807876185.db2.gz HFAXJGQVTFOMFR-SFHVURJKSA-N 0 3 297.402 2.393 20 30 CEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)CSC(C)C ZINC001272657948 807899720 /nfs/dbraw/zinc/89/97/20/807899720.db2.gz QETCEKIQCIMVOM-NSHDSACASA-N 0 3 278.849 2.365 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CC23CC3)CC(C)(C)C1 ZINC001089503219 808014741 /nfs/dbraw/zinc/01/47/41/808014741.db2.gz TUWZHRHFNGKADZ-UONOGXRCSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)CC(C)(C)C1 ZINC001089513757 808016097 /nfs/dbraw/zinc/01/60/97/808016097.db2.gz FGXRIALSMJSTHM-HRCADAONSA-N 0 3 288.435 2.273 20 30 CEEDHN CCCCCN1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212248748 808042256 /nfs/dbraw/zinc/04/22/56/808042256.db2.gz MBKCHGIDANOHEE-HUUCEWRRSA-N 0 3 294.439 2.042 20 30 CEEDHN Cc1ccc(CCC(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000130906889 808156610 /nfs/dbraw/zinc/15/66/10/808156610.db2.gz NBENBPVMHWZDKG-AWEZNQCLSA-N 0 3 272.348 2.161 20 30 CEEDHN C=CCn1cc(CNC[C@@H]2CCc3ccccc32)nn1 ZINC001119971216 815180149 /nfs/dbraw/zinc/18/01/49/815180149.db2.gz IRVDBYBDKCPWBW-AWEZNQCLSA-N 0 3 268.364 2.284 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NCCNCc1cccc(F)c1 ZINC001124488265 808212108 /nfs/dbraw/zinc/21/21/08/808212108.db2.gz MQWHSFOSPIESIN-CYBMUJFWSA-N 0 3 294.370 2.013 20 30 CEEDHN CCOC(=O)/C=C/CN[C@H](C)c1ccc(C#N)cc1 ZINC000131015944 808223761 /nfs/dbraw/zinc/22/37/61/808223761.db2.gz RJGWZFGNKBIVLO-ZYOFXKKJSA-N 0 3 258.321 2.328 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccco1 ZINC001032275500 808380532 /nfs/dbraw/zinc/38/05/32/808380532.db2.gz GLTXYIWLSVBQKR-GJZGRUSLSA-N 0 3 288.391 2.464 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(F)c1 ZINC001032310102 808425287 /nfs/dbraw/zinc/42/52/87/808425287.db2.gz LELSEWWLUXAXFU-KBPBESRZSA-N 0 3 289.354 2.086 20 30 CEEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)C(C)C)C1 ZINC001107749039 808523121 /nfs/dbraw/zinc/52/31/21/808523121.db2.gz XZKCEMIOWUQFII-GDBMZVCRSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCN(CC=C)[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171712248 815216989 /nfs/dbraw/zinc/21/69/89/815216989.db2.gz ATRUFPLZMPRQEB-GFCCVEGCSA-N 0 3 280.368 2.196 20 30 CEEDHN C#C[C@H](C)NC[C@H](O)COc1ccc(/C=C/C)cc1OC ZINC001120491784 815228820 /nfs/dbraw/zinc/22/88/20/815228820.db2.gz DASLQWQFEINAFQ-HSRYQADGSA-N 0 3 289.375 2.079 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CCCC2 ZINC001032716753 808797250 /nfs/dbraw/zinc/79/72/50/808797250.db2.gz ZBMNTOIDSWJFAK-KKUMJFAQSA-N 0 3 274.408 2.428 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)c3cccn3CC)C2)C1 ZINC001040530613 808881093 /nfs/dbraw/zinc/88/10/93/808881093.db2.gz DFYSJDMOEYNRTK-SFHVURJKSA-N 0 3 299.418 2.069 20 30 CEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2cnco2)C12CCC2 ZINC001078690039 808938725 /nfs/dbraw/zinc/93/87/25/808938725.db2.gz GWHQWOXMCGLZKV-VXGBXAGGSA-N 0 3 295.770 2.058 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C)cc(C)n2)C1 ZINC001033219896 809238262 /nfs/dbraw/zinc/23/82/62/809238262.db2.gz LFMUXPCMRXGOTA-OAHLLOKOSA-N 0 3 287.407 2.421 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(C)c(C)n2)C1 ZINC001033264852 809252551 /nfs/dbraw/zinc/25/25/51/809252551.db2.gz DQASRYAHQPFJHR-OAHLLOKOSA-N 0 3 287.407 2.421 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033292796 809259179 /nfs/dbraw/zinc/25/91/79/809259179.db2.gz VNBZWBBSWYVOMV-WCXIOVBPSA-N 0 3 288.435 2.369 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)C(C)(C)C2CCC2)C1 ZINC001033310125 809265530 /nfs/dbraw/zinc/26/55/30/809265530.db2.gz QACCBUQJZLKRAL-HNNXBMFYSA-N 0 3 276.424 2.369 20 30 CEEDHN C#Cc1ccc(C(=O)N(C)[C@H]2CCN(CCCF)C2)cc1 ZINC001033322478 809268588 /nfs/dbraw/zinc/26/85/88/809268588.db2.gz LGCUITYNHCTADN-INIZCTEOSA-N 0 3 288.366 2.174 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(C)CCC2)C1 ZINC001033326710 809269834 /nfs/dbraw/zinc/26/98/34/809269834.db2.gz XBQARKUPRUNSIH-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001033366762 809282674 /nfs/dbraw/zinc/28/26/74/809282674.db2.gz ZXIWZXBDOINMIH-OAHLLOKOSA-N 0 3 276.424 2.369 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2cccnc2C)C1 ZINC001033414108 809295291 /nfs/dbraw/zinc/29/52/91/809295291.db2.gz YHSUGUGBTXRDER-MRXNPFEDSA-N 0 3 287.407 2.041 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2ccsc2C)C1 ZINC001033478657 809313817 /nfs/dbraw/zinc/31/38/17/809313817.db2.gz FQIVLUBFLCEFJN-OAHLLOKOSA-N 0 3 290.432 2.155 20 30 CEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cnoc2C2CC2)C1 ZINC001033547997 809335282 /nfs/dbraw/zinc/33/52/82/809335282.db2.gz OMUVERGTJVDZTL-CYBMUJFWSA-N 0 3 289.379 2.274 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2ccc(C)s2)C1 ZINC001033687262 809380893 /nfs/dbraw/zinc/38/08/93/809380893.db2.gz DHIQQSFUJBGAFI-CQSZACIVSA-N 0 3 290.432 2.155 20 30 CEEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2cc(C)no2)C1 ZINC001033753068 809400539 /nfs/dbraw/zinc/40/05/39/809400539.db2.gz OMPRRFKDQASFLP-ZDUSSCGKSA-N 0 3 277.368 2.096 20 30 CEEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2oc(C)nc2C)C1 ZINC001033787655 809414719 /nfs/dbraw/zinc/41/47/19/809414719.db2.gz WJFGVONYMGTCMQ-CQSZACIVSA-N 0 3 291.395 2.404 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2c(C)ccn2C)C1 ZINC001033806145 809424527 /nfs/dbraw/zinc/42/45/27/809424527.db2.gz BSHRCUCQJCAZBL-OAHLLOKOSA-N 0 3 289.423 2.446 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C2CC3(CC3)C2)C1 ZINC001033954481 809461029 /nfs/dbraw/zinc/46/10/29/809461029.db2.gz DKNDUHLKNYOMAS-OAHLLOKOSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2CC23CCC3)C1 ZINC001033971316 809467972 /nfs/dbraw/zinc/46/79/72/809467972.db2.gz IPOIUQRRVUFXTL-HUUCEWRRSA-N 0 3 274.408 2.123 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccnc2)C1 ZINC001034073152 809504449 /nfs/dbraw/zinc/50/44/49/809504449.db2.gz FBEBSVFAIQTEKD-HNNXBMFYSA-N 0 3 273.380 2.242 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccco2)C1 ZINC001034073233 809504654 /nfs/dbraw/zinc/50/46/54/809504654.db2.gz GRWSPHTZLNYRGL-ZDUSSCGKSA-N 0 3 262.353 2.440 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccncc2F)C1 ZINC001034137088 809528472 /nfs/dbraw/zinc/52/84/72/809528472.db2.gz AEABUGZFPBKGLE-CYBMUJFWSA-N 0 3 291.370 2.381 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001034146609 809532161 /nfs/dbraw/zinc/53/21/61/809532161.db2.gz MHNVAUWJFGPTKC-TZMCWYRMSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cc(Cl)c[nH]2)CC1 ZINC001045363827 809552502 /nfs/dbraw/zinc/55/25/02/809552502.db2.gz PDIDRCZDHBYQMI-UHFFFAOYSA-N 0 3 281.787 2.438 20 30 CEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001034352777 809587620 /nfs/dbraw/zinc/58/76/20/809587620.db2.gz SQFBUJSOZVYMCQ-CQSZACIVSA-N 0 3 274.364 2.196 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001034380666 809593312 /nfs/dbraw/zinc/59/33/12/809593312.db2.gz TYBQLKOZFXADIA-DOTOQJQBSA-N 0 3 284.403 2.483 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cn(CC)cn2)C1 ZINC001034488587 809620210 /nfs/dbraw/zinc/62/02/10/809620210.db2.gz WJXSIHJDLNOTRO-CQSZACIVSA-N 0 3 290.411 2.063 20 30 CEEDHN C[C@H](C#N)C(=O)N1CCC2(CCN(C/C=C/Cl)C2)CC1 ZINC001035165517 809756746 /nfs/dbraw/zinc/75/67/46/809756746.db2.gz QDLRQBKMSRLGII-ZABGRMTBSA-N 0 3 295.814 2.213 20 30 CEEDHN C#CCNCCNC(=O)[C@@H](CC)C1CCC(C)CC1 ZINC001129154874 809776794 /nfs/dbraw/zinc/77/67/94/809776794.db2.gz ADEAQMNUNXSHSI-NRXISQOPSA-N 0 3 264.413 2.178 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)C(C)(C)C1CC1)CC2 ZINC001035771889 809813261 /nfs/dbraw/zinc/81/32/61/809813261.db2.gz GYQMEKRILXWBLM-UHFFFAOYSA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001035929466 809838861 /nfs/dbraw/zinc/83/88/61/809838861.db2.gz OFONVPGGUOECKY-HIFRSBDPSA-N 0 3 288.391 2.409 20 30 CEEDHN CC(=O)N1CC[C@H]2[C@@H](CCN2Cc2ccc(C#N)s2)C1 ZINC001036611058 809966535 /nfs/dbraw/zinc/96/65/35/809966535.db2.gz YBWQNQXPSDLUHZ-WFASDCNBSA-N 0 3 289.404 2.062 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCCF)CCC1 ZINC001280502588 810099429 /nfs/dbraw/zinc/09/94/29/810099429.db2.gz UYCUYTJTIMXTET-ZDUSSCGKSA-N 0 3 256.365 2.187 20 30 CEEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1[nH]c(C)cc1C ZINC001273181904 810099199 /nfs/dbraw/zinc/09/91/99/810099199.db2.gz MTKKEUORJIUMPZ-SFHVURJKSA-N 0 3 299.418 2.222 20 30 CEEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](C)SC)CC1 ZINC001163540912 810117948 /nfs/dbraw/zinc/11/79/48/810117948.db2.gz QBCIWQCIVFWNOA-LLVKDONJSA-N 0 3 290.860 2.367 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(C)n2)C1 ZINC001079431959 810210393 /nfs/dbraw/zinc/21/03/93/810210393.db2.gz NLSYNRLZJAHJMD-IUODEOHRSA-N 0 3 273.380 2.016 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001079734095 810230950 /nfs/dbraw/zinc/23/09/50/810230950.db2.gz ZHHFFRKVVDHJGW-NQNKBUKLSA-N 0 3 286.419 2.049 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(CC(=C)C)C[C@H]1C ZINC001079854513 810234918 /nfs/dbraw/zinc/23/49/18/810234918.db2.gz PFXIYRPMHITAIY-HUUCEWRRSA-N 0 3 287.407 2.300 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC001079903146 810237069 /nfs/dbraw/zinc/23/70/69/810237069.db2.gz DNRBJEDVMJXNEB-RHSMWYFYSA-N 0 3 299.418 2.108 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2nc(C)sc2C)C1 ZINC001014889779 810242939 /nfs/dbraw/zinc/24/29/39/810242939.db2.gz FONIEJBHZZFXMZ-GFCCVEGCSA-N 0 3 279.409 2.140 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2ccsc2COC)C1 ZINC001014937365 810246422 /nfs/dbraw/zinc/24/64/22/810246422.db2.gz LOMGSHKCRQNFNN-LBPRGKRZSA-N 0 3 294.420 2.275 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001080303090 810266238 /nfs/dbraw/zinc/26/62/38/810266238.db2.gz KKLZVEFWZWRXDU-TZMCWYRMSA-N 0 3 275.396 2.374 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2cccnc2C(F)F)C1 ZINC001015203400 810266593 /nfs/dbraw/zinc/26/65/93/810266593.db2.gz XCZPFSRQLUZVBF-NSHDSACASA-N 0 3 295.333 2.399 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001015332723 810281421 /nfs/dbraw/zinc/28/14/21/810281421.db2.gz OULKAEHOWKLOIQ-ZIFCJYIRSA-N 0 3 296.414 2.178 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001015594790 810311171 /nfs/dbraw/zinc/31/11/71/810311171.db2.gz BQURZDAGFCIKCX-OAHLLOKOSA-N 0 3 287.407 2.205 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCCc1ccccc1C ZINC001121833167 815359974 /nfs/dbraw/zinc/35/99/74/815359974.db2.gz NOIIOBDJRYIHIY-OAHLLOKOSA-N 0 3 260.381 2.337 20 30 CEEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CN(CC(=C)C)C[C@H]1C ZINC001080850294 810312557 /nfs/dbraw/zinc/31/25/57/810312557.db2.gz HIHYBPFJTNKOTI-CRAIPNDOSA-N 0 3 296.414 2.223 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC001015621143 810315050 /nfs/dbraw/zinc/31/50/50/810315050.db2.gz RQTNIYWSQULEDS-LLVKDONJSA-N 0 3 280.318 2.345 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001081006782 810321771 /nfs/dbraw/zinc/32/17/71/810321771.db2.gz ONRPKSMXJCZHMR-HPDBWDTBSA-N 0 3 288.435 2.273 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001015652104 810325199 /nfs/dbraw/zinc/32/51/99/810325199.db2.gz VUIDDRVBUDOJBX-CQSZACIVSA-N 0 3 290.794 2.476 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)C2CC=CC2)C[C@H]1c1ccccc1 ZINC001081101333 810331210 /nfs/dbraw/zinc/33/12/10/810331210.db2.gz WAQMOZMTYLNGBS-ZWKOTPCHSA-N 0 3 294.398 2.170 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)C2(CC)CC2)C[C@H]1c1ccccc1 ZINC001081175087 810333191 /nfs/dbraw/zinc/33/31/91/810333191.db2.gz PVFZSVWSIADMCR-DLBZAZTESA-N 0 3 296.414 2.394 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001015790319 810354647 /nfs/dbraw/zinc/35/46/47/810354647.db2.gz HIVWZZXJTKEGCX-GFCCVEGCSA-N 0 3 277.368 2.178 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2csc(Cl)n2)C1 ZINC001015950524 810377137 /nfs/dbraw/zinc/37/71/37/810377137.db2.gz DLAKKUDTBRWJOT-VIFPVBQESA-N 0 3 285.800 2.177 20 30 CEEDHN C#CC[C@H](CCOC)NCc1cc(OC)ccc1F ZINC001118883890 810381950 /nfs/dbraw/zinc/38/19/50/810381950.db2.gz MRLCFJRLCMCLOF-CYBMUJFWSA-N 0 3 265.328 2.352 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001016058930 810393048 /nfs/dbraw/zinc/39/30/48/810393048.db2.gz RZAWTWGTWBWREU-CQSZACIVSA-N 0 3 292.329 2.452 20 30 CEEDHN Cc1ccc(CC#N)c(N2CCN(C(C)C)[C@H](C)C2)n1 ZINC001165199805 810400330 /nfs/dbraw/zinc/40/03/30/810400330.db2.gz NGUWHOPLHWBIKI-CQSZACIVSA-N 0 3 272.396 2.375 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001016299212 810420850 /nfs/dbraw/zinc/42/08/50/810420850.db2.gz XELNLGIRZRSNNL-CJNGLKHVSA-N 0 3 288.366 2.143 20 30 CEEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)CC3CCC3)[C@H]2C1 ZINC001083036179 810421440 /nfs/dbraw/zinc/42/14/40/810421440.db2.gz UHKJQHJSFHNTQN-JKSUJKDBSA-N 0 3 292.423 2.054 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001016314768 810422681 /nfs/dbraw/zinc/42/26/81/810422681.db2.gz DREGLYWYEKKQLZ-NVXWUHKLSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001016369328 810428807 /nfs/dbraw/zinc/42/88/07/810428807.db2.gz ZCSUDXLVRZVNQB-HNNXBMFYSA-N 0 3 276.424 2.417 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cccs2)CC1 ZINC001016487680 810445263 /nfs/dbraw/zinc/44/52/63/810445263.db2.gz WWPDVULYOMOVDE-CQSZACIVSA-N 0 3 288.416 2.356 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)/C=C(/C)C3CC3)[C@@H]2C1 ZINC001084209409 810449263 /nfs/dbraw/zinc/44/92/63/810449263.db2.gz GSAQGHJTOTYMOA-NWDJSDSRSA-N 0 3 274.408 2.452 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3CC=CC3)[C@@H]2C1 ZINC001084246150 810449395 /nfs/dbraw/zinc/44/93/95/810449395.db2.gz PIDWIYYVFJIAEW-HUUCEWRRSA-N 0 3 260.381 2.061 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)/C=C/C3CC3)[C@@H]2C1 ZINC001084248339 810449997 /nfs/dbraw/zinc/44/99/97/810449997.db2.gz LUXSBXARGRGNJI-XEVLESSRSA-N 0 3 260.381 2.061 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@]2(C)CC=CCC2)CC1 ZINC001016647197 810460044 /nfs/dbraw/zinc/46/00/44/810460044.db2.gz WOYMEUAPYWBROK-NVXWUHKLSA-N 0 3 286.419 2.337 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C2(C3CC3)CCC2)CC1 ZINC001016752801 810466138 /nfs/dbraw/zinc/46/61/38/810466138.db2.gz XKHCPSKMZUBLFQ-OAHLLOKOSA-N 0 3 286.419 2.171 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CC34CCC4)[C@@H]2C1 ZINC001084689634 810501962 /nfs/dbraw/zinc/50/19/62/810501962.db2.gz MHOGEEMFLOBJKR-RBSFLKMASA-N 0 3 274.408 2.285 20 30 CEEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3nccs3)[C@@H]2C1 ZINC001084736706 810510450 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C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)c3ccco3)C[C@@H]21 ZINC001085031482 810569331 /nfs/dbraw/zinc/56/93/31/810569331.db2.gz YOTOHCDPRCIUCB-ZNMIVQPWSA-N 0 3 288.391 2.492 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(CC(C)C)[nH]n1 ZINC001122161035 815388512 /nfs/dbraw/zinc/38/85/12/815388512.db2.gz FYYJGCVVUXKBPY-GFCCVEGCSA-N 0 3 264.373 2.230 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1ccn(CCF)n1 ZINC001172300204 815389461 /nfs/dbraw/zinc/38/94/61/815389461.db2.gz SXVCFDKMOOBMRB-ZDUSSCGKSA-N 0 3 286.354 2.445 20 30 CEEDHN CC(C)C[C@H](N)C(=O)Nc1ccc(CCC#N)cc1 ZINC001122168580 815389581 /nfs/dbraw/zinc/38/95/81/815389581.db2.gz FXAFCIIWLSDXOM-AWEZNQCLSA-N 0 3 259.353 2.455 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001019461507 810711660 /nfs/dbraw/zinc/71/16/60/810711660.db2.gz VXINFWFSQKQVNI-HOTGVXAUSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(C(F)F)cc2F)C1 ZINC001019567631 810719995 /nfs/dbraw/zinc/71/99/95/810719995.db2.gz HUFNWPZLANPZPZ-NSHDSACASA-N 0 3 296.292 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ALYAZEHAMCXGSF-GUYCJALGSA-N 0 3 285.391 2.090 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@H](C)C(C)C)C[C@]2(C)C1 ZINC001101170413 814230598 /nfs/dbraw/zinc/23/05/98/814230598.db2.gz DXNTXMLZOSPPHB-JZXOWHBKSA-N 0 3 290.451 2.472 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2CC23CCCC3)cc1 ZINC001146747582 814319824 /nfs/dbraw/zinc/31/98/24/814319824.db2.gz WMUQDLFWOYQPSS-MRXNPFEDSA-N 0 3 297.402 2.344 20 30 CEEDHN CC#CCNCCNC(=O)c1oc2ccccc2c1Cl ZINC001147623217 814471196 /nfs/dbraw/zinc/47/11/96/814471196.db2.gz BLOWNCMQPMFYBQ-UHFFFAOYSA-N 0 3 290.750 2.429 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H](F)CCCCCC ZINC001147803143 814501562 /nfs/dbraw/zinc/50/15/62/814501562.db2.gz AWIYIELFCZTAPL-ZDUSSCGKSA-N 0 3 256.365 2.024 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)/C=C(/C)CC)C1 ZINC001111738020 814603126 /nfs/dbraw/zinc/60/31/26/814603126.db2.gz VVINLIRTSGAQBH-YFQQADKYSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccccn3)C2)CC1 ZINC001086899008 814646443 /nfs/dbraw/zinc/64/64/43/814646443.db2.gz YGRYYZBFRDTNOJ-OAHLLOKOSA-N 0 3 297.402 2.031 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3[nH]c(C)cc3C)C[C@]2(C)C1 ZINC001091789824 814671542 /nfs/dbraw/zinc/67/15/42/814671542.db2.gz VSUFZKJQBGAAME-QAPCUYQASA-N 0 3 299.418 2.049 20 30 CEEDHN C=C1CC(C)(C(=O)N2C[C@H]3CN(CC#CC)C[C@@]3(C)C2)C1 ZINC001091995563 814684357 /nfs/dbraw/zinc/68/43/57/814684357.db2.gz GYXDHIXJJKBGGM-QAPCUYQASA-N 0 3 286.419 2.146 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@](C)(C=C)CC)C[C@]2(C)C1 ZINC001091975180 814685409 /nfs/dbraw/zinc/68/54/09/814685409.db2.gz JEWBRCMHGVCWOH-OIISXLGYSA-N 0 3 274.408 2.002 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3c(C)cccc3C)C[C@]2(C)C1 ZINC001092040701 814686137 /nfs/dbraw/zinc/68/61/37/814686137.db2.gz NENUASYEIBQAST-APWZRJJASA-N 0 3 296.414 2.331 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CC[C@H]2CCCC[C@H]2C1)C1CC1 ZINC001115820408 814757795 /nfs/dbraw/zinc/75/77/95/814757795.db2.gz ISASJYBRELLJMN-JKIFEVAISA-N 0 3 289.423 2.307 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2ccsc2Cl)[C@H](C)C1 ZINC001093025417 814841237 /nfs/dbraw/zinc/84/12/37/814841237.db2.gz CNHLCFMAWSTJEC-GHMZBOCLSA-N 0 3 296.823 2.332 20 30 CEEDHN C=CCOC1CCC(n2cnc3c2CNCC3)CC1 ZINC001173321352 815673380 /nfs/dbraw/zinc/67/33/80/815673380.db2.gz JGLFZBLLUWGQPR-UHFFFAOYSA-N 0 3 261.369 2.215 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)oc1C)C2 ZINC001095166251 815719639 /nfs/dbraw/zinc/71/96/39/815719639.db2.gz IWGYNSIQRREACO-KBMXLJTQSA-N 0 3 286.375 2.255 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1C)C2 ZINC001095202648 815745350 /nfs/dbraw/zinc/74/53/50/815745350.db2.gz MOBOKELABXPDQV-AGIUHOORSA-N 0 3 291.420 2.363 20 30 CEEDHN N#CCC1CN(Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138338018 815770105 /nfs/dbraw/zinc/77/01/05/815770105.db2.gz KFBCTWIHONDGIX-UHFFFAOYSA-N 0 3 297.402 2.436 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@H]2COC)cc1OC ZINC001138341180 815770877 /nfs/dbraw/zinc/77/08/77/815770877.db2.gz JSTKRYUWNNOHBV-HNNXBMFYSA-N 0 3 289.375 2.318 20 30 CEEDHN C#CCOc1ccc(CN2CCC(OC)CC2)cc1OC ZINC001138341191 815771972 /nfs/dbraw/zinc/77/19/72/815771972.db2.gz KBTXBDHCCZFNHQ-UHFFFAOYSA-N 0 3 289.375 2.318 20 30 CEEDHN Cn1c2ccccc2nc1CN1CCC2SC(=O)C=C2C1 ZINC001138376887 815780478 /nfs/dbraw/zinc/78/04/78/815780478.db2.gz MFIBQDPEQJIICU-CQSZACIVSA-N 0 3 299.399 2.347 20 30 CEEDHN C=CCc1cccc(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)c1[O-] ZINC001138624325 815845612 /nfs/dbraw/zinc/84/56/12/815845612.db2.gz DJZULTSBYFODNT-OAHLLOKOSA-N 0 3 293.407 2.074 20 30 CEEDHN C=CCc1cccc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c1[O-] ZINC001138624325 815845620 /nfs/dbraw/zinc/84/56/20/815845620.db2.gz DJZULTSBYFODNT-OAHLLOKOSA-N 0 3 293.407 2.074 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CCC3(COC3)C2)c1[O-] ZINC001138625646 815846392 /nfs/dbraw/zinc/84/63/92/815846392.db2.gz RNMPUJXYNWWHEF-UHFFFAOYSA-N 0 3 259.349 2.343 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CCC3(COC3)C2)c1[O-] ZINC001138625646 815846401 /nfs/dbraw/zinc/84/64/01/815846401.db2.gz RNMPUJXYNWWHEF-UHFFFAOYSA-N 0 3 259.349 2.343 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)CCc2ccc(C)cc2)C1 ZINC001276397097 815955230 /nfs/dbraw/zinc/95/52/30/815955230.db2.gz NQKLNLYTNDTLBF-INIZCTEOSA-N 0 3 298.430 2.387 20 30 CEEDHN COc1cc(O)ccc1CN1CCC(S)CC1 ZINC001139141855 815968095 /nfs/dbraw/zinc/96/80/95/815968095.db2.gz IYQOWUHIFJYECB-UHFFFAOYSA-N 0 3 253.367 2.295 20 30 CEEDHN N#C[C@H]1CCCN(Cc2ccccc2-n2cncn2)CC1 ZINC001139421035 816021003 /nfs/dbraw/zinc/02/10/03/816021003.db2.gz OPPOXXUQQOEPAO-AWEZNQCLSA-N 0 3 281.363 2.393 20 30 CEEDHN N#Cc1ccc(CN2CCC3SC(=O)C=C3C2)cc1F ZINC001139528643 816039416 /nfs/dbraw/zinc/03/94/16/816039416.db2.gz WPVXZGNVKYREFM-CQSZACIVSA-N 0 3 288.347 2.471 20 30 CEEDHN COC(=O)[C@@H]1CCCN(Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139701687 816088738 /nfs/dbraw/zinc/08/87/38/816088738.db2.gz NXJKFBMWSFOJRV-CYBMUJFWSA-N 0 3 297.358 2.425 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](C)C(C)(F)F ZINC001139869370 816131581 /nfs/dbraw/zinc/13/15/81/816131581.db2.gz HMEQVWCRZRBHJA-LLVKDONJSA-N 0 3 262.344 2.244 20 30 CEEDHN Cc1ccc(CN2CCC3SC(=O)C=C3C2)cn1 ZINC001139930887 816142852 /nfs/dbraw/zinc/14/28/52/816142852.db2.gz HQLQCTCDRDLLED-ZDUSSCGKSA-N 0 3 260.362 2.164 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2F)CCC[C@H]1O ZINC001140136269 816199900 /nfs/dbraw/zinc/19/99/00/816199900.db2.gz RUIUMBAWSFFUBB-IAQYHMDHSA-N 0 3 262.328 2.290 20 30 CEEDHN CN1CCC=C(n2cc(C#N)c3cc(N)ccc32)C1 ZINC001175578596 816243038 /nfs/dbraw/zinc/24/30/38/816243038.db2.gz MYXVMVKTELPWNQ-UHFFFAOYSA-N 0 3 252.321 2.272 20 30 CEEDHN N#Cc1cc(F)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001141163470 816493457 /nfs/dbraw/zinc/49/34/57/816493457.db2.gz GALRFIPGWLWUAD-AWEZNQCLSA-N 0 3 288.347 2.471 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1cc(Cl)ccn1 ZINC001177662521 816598467 /nfs/dbraw/zinc/59/84/67/816598467.db2.gz XLFYAMQUULCLAF-AWEZNQCLSA-N 0 3 293.798 2.044 20 30 CEEDHN N#Cc1ccnc(NC(=O)C(C#N)Cc2cccs2)c1 ZINC001177905005 816640773 /nfs/dbraw/zinc/64/07/73/816640773.db2.gz QUPCLXFELRPJQY-NSHDSACASA-N 0 3 282.328 2.336 20 30 CEEDHN C=CCCC(=O)N1CC[C@H](NCc2cnc(C)s2)[C@@H]1C ZINC001178311994 816724962 /nfs/dbraw/zinc/72/49/62/816724962.db2.gz POWLXIMFROYVSP-FZMZJTMJSA-N 0 3 293.436 2.497 20 30 CEEDHN CC#CCNCCNC(=O)c1sccc1C(F)F ZINC001149383402 816854837 /nfs/dbraw/zinc/85/48/37/816854837.db2.gz XWQLJNVGFPVYIW-UHFFFAOYSA-N 0 3 272.320 2.028 20 30 CEEDHN C[C@@H](NCC[C@@H](O)C(F)F)c1ccc(C#N)c(F)c1 ZINC000601297571 346814577 /nfs/dbraw/zinc/81/45/77/346814577.db2.gz ACNAFDFFDJYDBY-PRHODGIISA-N 0 3 272.270 2.364 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC(C#N)CC1 ZINC000336250449 365536041 /nfs/dbraw/zinc/53/60/41/365536041.db2.gz VQSQPIJPJBJACT-AWEZNQCLSA-N 0 3 292.427 2.052 20 30 CEEDHN CC(C)(C#N)C(=O)NC[C@H]1CCCN1CCc1ccccc1 ZINC000079604190 343985703 /nfs/dbraw/zinc/98/57/03/343985703.db2.gz VQPDUTDHJJKHHJ-MRXNPFEDSA-N 0 3 299.418 2.359 20 30 CEEDHN C=CCOc1cccc(CN2CCC[C@H](C(=O)NC)C2)c1 ZINC000125056976 187167799 /nfs/dbraw/zinc/16/77/99/187167799.db2.gz GIQULQIWHPMWHS-HNNXBMFYSA-N 0 3 288.391 2.209 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000123047288 365634219 /nfs/dbraw/zinc/63/42/19/365634219.db2.gz KOZDWMAHADJUDT-CQSZACIVSA-N 0 3 298.427 2.303 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC2(CCC2)C1 ZINC000123521016 365638704 /nfs/dbraw/zinc/63/87/04/365638704.db2.gz MPQGDEFONAKVRP-UHFFFAOYSA-N 0 3 250.386 2.287 20 30 CEEDHN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)C(C)C#N ZINC000336574158 365663204 /nfs/dbraw/zinc/66/32/04/365663204.db2.gz PEVVOGYOJIEKJR-ZIAGYGMSSA-N 0 3 271.364 2.273 20 30 CEEDHN C=CCN[C@@H](CO)c1ccc(Br)cc1 ZINC000273097699 192042062 /nfs/dbraw/zinc/04/20/62/192042062.db2.gz LITCIGNFUTYNRM-NSHDSACASA-N 0 3 256.143 2.258 20 30 CEEDHN C[C@@H](C#N)CNC1CCN(Cc2ccccc2)CC1 ZINC000036984834 361880640 /nfs/dbraw/zinc/88/06/40/361880640.db2.gz LGLIGGZIKHDQIR-AWEZNQCLSA-N 0 3 257.381 2.400 20 30 CEEDHN CC(C#N)C(=O)N[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000601702511 346882626 /nfs/dbraw/zinc/88/26/26/346882626.db2.gz OIINFTWXULYSFZ-PRHODGIISA-N 0 3 284.718 2.178 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(OCC)cc1 ZINC000078347458 539168277 /nfs/dbraw/zinc/16/82/77/539168277.db2.gz LRXKEWGFWDEVGU-QWHCGFSZSA-N 0 3 276.380 2.427 20 30 CEEDHN C=CCOc1ccc(CN(C)CC2CN(C)C2)cc1OC ZINC000668538267 539192996 /nfs/dbraw/zinc/19/29/96/539192996.db2.gz YJWTXXBCZOTEFY-UHFFFAOYSA-N 0 3 290.407 2.253 20 30 CEEDHN C=CCOc1ccc(CNC2([C@H](C)O)CC2)cc1OC ZINC000668697298 539239847 /nfs/dbraw/zinc/23/98/47/539239847.db2.gz ZQQZQAFVTVPPKH-LBPRGKRZSA-N 0 3 277.364 2.263 20 30 CEEDHN COCC#CCN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000677480722 539235735 /nfs/dbraw/zinc/23/57/35/539235735.db2.gz ZCUHLPWUCCBMHB-UHFFFAOYSA-N 0 3 283.375 2.392 20 30 CEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000329681970 539246432 /nfs/dbraw/zinc/24/64/32/539246432.db2.gz XEGBSWBIKMGTFU-APIJFGDWSA-N 0 3 290.411 2.151 20 30 CEEDHN CC[C@@H](C#N)C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC000601853514 346916936 /nfs/dbraw/zinc/91/69/36/346916936.db2.gz WWNCECCDTCVPHO-JKSUJKDBSA-N 0 3 285.391 2.235 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC000601853513 346917185 /nfs/dbraw/zinc/91/71/85/346917185.db2.gz WWNCECCDTCVPHO-HZPDHXFCSA-N 0 3 285.391 2.235 20 30 CEEDHN CCO[C@@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000042422308 362093969 /nfs/dbraw/zinc/09/39/69/362093969.db2.gz UYTVMWYPPNTKDF-OAHLLOKOSA-N 0 3 274.364 2.438 20 30 CEEDHN CCO[C@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000042422309 362093318 /nfs/dbraw/zinc/09/33/18/362093318.db2.gz UYTVMWYPPNTKDF-HNNXBMFYSA-N 0 3 274.364 2.438 20 30 CEEDHN Cc1cccc(N2CCN(C(=O)C(C)C#N)CC2)c1C ZINC000044814558 362154856 /nfs/dbraw/zinc/15/48/56/362154856.db2.gz VDEUCXFUETYXQF-CYBMUJFWSA-N 0 3 271.364 2.112 20 30 CEEDHN N#Cc1ccc(NC(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000045029558 362158262 /nfs/dbraw/zinc/15/82/62/362158262.db2.gz RVYJVTMLQDHTGG-UHFFFAOYSA-N 0 3 284.363 2.307 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1CC1)C(C)C ZINC000046049365 362174564 /nfs/dbraw/zinc/17/45/64/362174564.db2.gz IDGJOEWUTADUEX-AWEZNQCLSA-N 0 3 250.386 2.211 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000023220011 343381157 /nfs/dbraw/zinc/38/11/57/343381157.db2.gz WFDZLGZWHFGOMI-UKRRQHHQSA-N 0 3 265.401 2.305 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2cccc(C#N)c2)nc(C)n1 ZINC000041574814 343441749 /nfs/dbraw/zinc/44/17/49/343441749.db2.gz QOLUZAMMGKKTTL-AWEZNQCLSA-N 0 3 276.299 2.455 20 30 CEEDHN C=CCOc1ccccc1C(=O)NCCN1CCCC1 ZINC000045054129 343480385 /nfs/dbraw/zinc/48/03/85/343480385.db2.gz BRDAARIQHVNCAJ-UHFFFAOYSA-N 0 3 274.364 2.077 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)CCc1ccc(C#N)cc1 ZINC000046857579 343505475 /nfs/dbraw/zinc/50/54/75/343505475.db2.gz RTEUOQWFENTTKW-OAHLLOKOSA-N 0 3 299.418 2.481 20 30 CEEDHN CC1CCN(CCNC(=O)CCc2ccc(C#N)cc2)CC1 ZINC000046955782 343507878 /nfs/dbraw/zinc/50/78/78/343507878.db2.gz XCNBGLYHLRTBII-UHFFFAOYSA-N 0 3 299.418 2.339 20 30 CEEDHN C[C@H]1C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047010858 343509547 /nfs/dbraw/zinc/50/95/47/343509547.db2.gz OQCRMAFSAJJQKH-XJKSGUPXSA-N 0 3 285.391 2.104 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(N(C)C)cc2C)CC1 ZINC000050032251 343541587 /nfs/dbraw/zinc/54/15/87/343541587.db2.gz OKNYKJQABSNQHQ-UHFFFAOYSA-N 0 3 299.418 2.345 20 30 CEEDHN C=C(C)CN(CC)C[C@H](O)COc1ccc(F)cc1 ZINC000046342255 343498201 /nfs/dbraw/zinc/49/82/01/343498201.db2.gz BVDYODXGOPJDSB-AWEZNQCLSA-N 0 3 267.344 2.463 20 30 CEEDHN CN(CC(=O)NC1(C#N)CCCCC1)C(C1CC1)C1CC1 ZINC000051579778 343551776 /nfs/dbraw/zinc/55/17/76/343551776.db2.gz XFYRYWGWMSCTOU-UHFFFAOYSA-N 0 3 289.423 2.449 20 30 CEEDHN Cc1nnc(NC[C@H](C)N2CCC[C@H](C)C2)c(C#N)c1C ZINC000052160080 343557106 /nfs/dbraw/zinc/55/71/06/343557106.db2.gz BSSINCKKDURYSJ-RYUDHWBXSA-N 0 3 287.411 2.497 20 30 CEEDHN C#CCNC(=O)CCNCc1ccc2ccccc2c1 ZINC000064615732 343692045 /nfs/dbraw/zinc/69/20/45/343692045.db2.gz ZPSIEMDROFODBG-UHFFFAOYSA-N 0 3 266.344 2.069 20 30 CEEDHN C[C@@H]1C[C@H](NCc2cccc(F)c2C#N)CN1C1CC1 ZINC000602014238 346959498 /nfs/dbraw/zinc/95/94/98/346959498.db2.gz TWLXLPPMQXBEAK-YPMHNXCESA-N 0 3 273.355 2.412 20 30 CEEDHN C[C@@H]1COCC[C@@H]1CNCc1cccc(F)c1C#N ZINC000602017754 346960773 /nfs/dbraw/zinc/96/07/73/346960773.db2.gz USCMPSSVOWVPFU-VXGBXAGGSA-N 0 3 262.328 2.460 20 30 CEEDHN C[C@@H]1COCC[C@H]1CNCc1cccc(F)c1C#N ZINC000602017751 346960916 /nfs/dbraw/zinc/96/09/16/346960916.db2.gz USCMPSSVOWVPFU-NEPJUHHUSA-N 0 3 262.328 2.460 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1cccc(F)c1C#N ZINC000602016972 346960935 /nfs/dbraw/zinc/96/09/35/346960935.db2.gz BRUZHWHHRVMMEE-WFASDCNBSA-N 0 3 260.312 2.378 20 30 CEEDHN N#Cc1nnc2ccccc2c1N[C@H]1CCN(CC2CC2)C1 ZINC000077218988 343911750 /nfs/dbraw/zinc/91/17/50/343911750.db2.gz STGTVFZNGCGBKM-ZDUSSCGKSA-N 0 3 293.374 2.398 20 30 CEEDHN C[C@H](C#N)CN(C)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000602347566 347016529 /nfs/dbraw/zinc/01/65/29/347016529.db2.gz HZUMKTUQKGFWPC-UKRRQHHQSA-N 0 3 292.427 2.194 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000091515330 344166661 /nfs/dbraw/zinc/16/66/61/344166661.db2.gz MUEZXQFMIWXYQF-HUUCEWRRSA-N 0 3 293.455 2.016 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1snc(Cl)c1C#N ZINC000092668170 344199406 /nfs/dbraw/zinc/19/94/06/344199406.db2.gz FLJPXAKIXGDFQI-SCZZXKLOSA-N 0 3 284.816 2.445 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000107112248 344260213 /nfs/dbraw/zinc/26/02/13/344260213.db2.gz UHZZJUMAQAYJIF-MRXNPFEDSA-N 0 3 278.371 2.275 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000108510477 344265707 /nfs/dbraw/zinc/26/57/07/344265707.db2.gz MRORYDCPCAWONC-HNNXBMFYSA-N 0 3 298.390 2.473 20 30 CEEDHN CN1CCC[C@@H](CNC(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000126950205 344326924 /nfs/dbraw/zinc/32/69/24/344326924.db2.gz XBWFRQCDQMXJMS-NSHDSACASA-N 0 3 291.782 2.283 20 30 CEEDHN C[C@@H](O)[C@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000130445994 344353007 /nfs/dbraw/zinc/35/30/07/344353007.db2.gz OHTUXMMDZPDZIB-ZWNOBZJWSA-N 0 3 250.367 2.355 20 30 CEEDHN C[C@H](NC(=O)NC[C@H]1CCCN1C)c1ccc(C#N)cc1 ZINC000139808289 344395534 /nfs/dbraw/zinc/39/55/34/344395534.db2.gz JZSSMDYDUOYWSF-SWLSCSKDSA-N 0 3 286.379 2.013 20 30 CEEDHN N#CC1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000146803309 344411009 /nfs/dbraw/zinc/41/10/09/344411009.db2.gz UUEFTNHJHVQWJS-QGZVFWFLSA-N 0 3 297.402 2.413 20 30 CEEDHN CC[C@@H]1CCCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000150746827 344417889 /nfs/dbraw/zinc/41/78/89/344417889.db2.gz OUENRQPUXUFGNM-ZBFHGGJFSA-N 0 3 277.412 2.449 20 30 CEEDHN COc1c(CNCC(C)(C)CCC#N)c(C)nn1C ZINC000160194295 344457914 /nfs/dbraw/zinc/45/79/14/344457914.db2.gz RZAXZFWWWUHMSC-UHFFFAOYSA-N 0 3 264.373 2.157 20 30 CEEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CC=CCC2)cc1 ZINC000163102713 344470171 /nfs/dbraw/zinc/47/01/71/344470171.db2.gz UYBTWPLRODGQLI-AWEZNQCLSA-N 0 3 290.388 2.030 20 30 CEEDHN CN(CCCC#N)Cc1ccccc1N1CCOCC1 ZINC000053138913 362482807 /nfs/dbraw/zinc/48/28/07/362482807.db2.gz PXTUTYOEDVKNIG-UHFFFAOYSA-N 0 3 273.380 2.259 20 30 CEEDHN CCN1CCN(Cc2cc(C#N)ccc2OC)C[C@H]1C ZINC000250336725 344632618 /nfs/dbraw/zinc/63/26/18/344632618.db2.gz PFEHGGHKVOFLJX-CYBMUJFWSA-N 0 3 273.380 2.093 20 30 CEEDHN N#Cc1cncnc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309815095 344729647 /nfs/dbraw/zinc/72/96/47/344729647.db2.gz NYDUMJQFLSHNQW-INIZCTEOSA-N 0 3 293.374 2.425 20 30 CEEDHN C=CC[C@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289672416 344682569 /nfs/dbraw/zinc/68/25/69/344682569.db2.gz ZDJHOFDIOTXYAX-IACUBPJLSA-N 0 3 273.332 2.372 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCc1ccc(C)cc1C ZINC000293985982 344693064 /nfs/dbraw/zinc/69/30/64/344693064.db2.gz NJEYPJAKLJCGKC-UHFFFAOYSA-N 0 3 286.419 2.307 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1ccccc1SC ZINC000293992861 344693315 /nfs/dbraw/zinc/69/33/15/344693315.db2.gz FODJVJONCCJUSI-GFCCVEGCSA-N 0 3 276.405 2.199 20 30 CEEDHN CCN1CCN(Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000300408947 344699792 /nfs/dbraw/zinc/69/97/92/344699792.db2.gz UKEILXLZKMBAER-GFCCVEGCSA-N 0 3 261.344 2.223 20 30 CEEDHN C#CC[C@@H](N[C@H]1CCN(CCOC)C1)c1ccccc1 ZINC000273207131 192075006 /nfs/dbraw/zinc/07/50/06/192075006.db2.gz SHRRVDHQWVDLFD-DLBZAZTESA-N 0 3 272.392 2.061 20 30 CEEDHN CC(C)(C#N)CCN(CCO)CCc1ccccc1 ZINC000305807307 344711046 /nfs/dbraw/zinc/71/10/46/344711046.db2.gz ZQQOVXVQIKCNSG-UHFFFAOYSA-N 0 3 260.381 2.463 20 30 CEEDHN C=CCSCCNCc1cc(C(=O)OC)c(C)[nH]1 ZINC000602543346 347071096 /nfs/dbraw/zinc/07/10/96/347071096.db2.gz BNAZXLUHYWJRPK-UHFFFAOYSA-N 0 3 268.382 2.119 20 30 CEEDHN C[C@@H](Cc1cccc(O)c1)NCc1cccc(C#N)n1 ZINC000602554838 347074755 /nfs/dbraw/zinc/07/47/55/347074755.db2.gz YVTIRHXJAKPNCO-LBPRGKRZSA-N 0 3 267.332 2.380 20 30 CEEDHN CC(C#N)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000357824709 344807089 /nfs/dbraw/zinc/80/70/89/344807089.db2.gz LOFKPFXEPJSKQF-JTQLQIEISA-N 0 3 266.728 2.337 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCC[C@H]3OCC[C@H]32)n1 ZINC000602565272 347080359 /nfs/dbraw/zinc/08/03/59/347080359.db2.gz DVPJGHPZYOGNSF-RRFJBIMHSA-N 0 3 257.337 2.000 20 30 CEEDHN CC[C@@H](C#N)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000390800973 344837457 /nfs/dbraw/zinc/83/74/57/344837457.db2.gz YVAMZLOAVTVOOR-HIFRSBDPSA-N 0 3 273.380 2.173 20 30 CEEDHN CCN(CC)C(=O)[C@@H](C)N1CCC(CCC#N)CC1 ZINC000399387077 344858126 /nfs/dbraw/zinc/85/81/26/344858126.db2.gz INUJUVGGZYNAAE-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874839955 649848273 /nfs/dbraw/zinc/84/82/73/649848273.db2.gz YLQIROBTNHKTIX-CABCVRRESA-N 0 3 262.397 2.450 20 30 CEEDHN N#Cc1cnc2c(Cl)cccc2c1N1CCNCC1 ZINC000527420405 344929487 /nfs/dbraw/zinc/92/94/87/344929487.db2.gz HSALEXNZCMFEQE-UHFFFAOYSA-N 0 3 272.739 2.169 20 30 CEEDHN C#C[C@H](C)N(C)C[C@@H](O)COCc1ccccc1Cl ZINC000491804917 344914337 /nfs/dbraw/zinc/91/43/37/344914337.db2.gz MVHKUEFTOWLIPQ-GXTWGEPZSA-N 0 3 281.783 2.171 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874839956 649848417 /nfs/dbraw/zinc/84/84/17/649848417.db2.gz YLQIROBTNHKTIX-GJZGRUSLSA-N 0 3 262.397 2.450 20 30 CEEDHN N#Cc1ccccc1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000585718553 345011560 /nfs/dbraw/zinc/01/15/60/345011560.db2.gz KYNGPQGWZLCRPY-SFHVURJKSA-N 0 3 299.418 2.245 20 30 CEEDHN C[C@@H](C#N)CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000584746285 344982552 /nfs/dbraw/zinc/98/25/52/344982552.db2.gz FRCLTWXGNBVZMC-ZDUSSCGKSA-N 0 3 268.364 2.276 20 30 CEEDHN CCN1CCCC[C@H]1C(=O)N1CCC(CCC#N)CC1 ZINC000584779988 344985496 /nfs/dbraw/zinc/98/54/96/344985496.db2.gz ACHTYCBCRCAJMQ-HNNXBMFYSA-N 0 3 277.412 2.403 20 30 CEEDHN Cc1cc(C#N)cc(NC[C@@H]2CCCCN2C2CC2)n1 ZINC000588034358 345035690 /nfs/dbraw/zinc/03/56/90/345035690.db2.gz ZUKYNZLRRMXIAE-HNNXBMFYSA-N 0 3 270.380 2.112 20 30 CEEDHN N#CCCCCCC(=O)NCCN1CCCCC1 ZINC000588294632 345045363 /nfs/dbraw/zinc/04/53/63/345045363.db2.gz NEJWLZHDEKSJKL-UHFFFAOYSA-N 0 3 251.374 2.063 20 30 CEEDHN CC[C@@H](COCC(F)(F)F)NCc1cc(C#N)n(C)c1 ZINC000295094240 199342426 /nfs/dbraw/zinc/34/24/26/199342426.db2.gz JQBAITADNYGHQJ-NSHDSACASA-N 0 3 289.301 2.344 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](NCCOC[C@H]1CCOC1)CC2 ZINC000589339190 345078542 /nfs/dbraw/zinc/07/85/42/345078542.db2.gz VYUUUMHEXVNHJC-YOEHRIQHSA-N 0 3 286.375 2.188 20 30 CEEDHN COC1(CCN2CCN([C@@H](C#N)C(C)C)CC2)CCC1 ZINC000590168821 345119248 /nfs/dbraw/zinc/11/92/48/345119248.db2.gz HYYAWMBNHUZLQC-HNNXBMFYSA-N 0 3 279.428 2.111 20 30 CEEDHN CN(C)C[C@@H](NC(=O)CC1(C#N)CC1)c1ccc(F)cc1 ZINC000590380617 345132162 /nfs/dbraw/zinc/13/21/62/345132162.db2.gz WVFWFSIYZRDCRI-CQSZACIVSA-N 0 3 289.354 2.238 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000590892964 345195765 /nfs/dbraw/zinc/19/57/65/345195765.db2.gz DSRRHJFHMLKNNI-UHFFFAOYSA-N 0 3 279.771 2.282 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](C2CCC2)C1 ZINC000591062088 345215548 /nfs/dbraw/zinc/21/55/48/345215548.db2.gz VBGVWCDFHPHRPJ-UKRRQHHQSA-N 0 3 277.412 2.117 20 30 CEEDHN CCCN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@@H]1CCN(C)C1 ZINC000592027927 345316052 /nfs/dbraw/zinc/31/60/52/345316052.db2.gz QPJVWHVZXYPWHV-SOUVJXGZSA-N 0 3 292.427 2.194 20 30 CEEDHN C[C@@H](NC[C@@H]1C[C@H](F)CN1)c1ccc(C#N)cc1F ZINC000591581128 345266727 /nfs/dbraw/zinc/26/67/27/345266727.db2.gz LKXLXFCCFRPAQG-USWWRNFRSA-N 0 3 265.307 2.048 20 30 CEEDHN C[C@H](NC[C@@H]1C[C@H](F)CN1)c1ccc(C#N)cc1F ZINC000591581127 345266812 /nfs/dbraw/zinc/26/68/12/345266812.db2.gz LKXLXFCCFRPAQG-DLOVCJGASA-N 0 3 265.307 2.048 20 30 CEEDHN CCN(C(=O)[C@H](N)CCCC#N)c1ccccc1C ZINC000591593103 345267421 /nfs/dbraw/zinc/26/74/21/345267421.db2.gz XYVXQIZFJWLRCX-CYBMUJFWSA-N 0 3 259.353 2.369 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NC1(c2ccc(F)cc2)CCC1 ZINC000591602924 345268809 /nfs/dbraw/zinc/26/88/09/345268809.db2.gz GNEJZSXSTLAGDC-CQSZACIVSA-N 0 3 289.354 2.342 20 30 CEEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(-n2cnnn2)c1 ZINC000591659748 345272468 /nfs/dbraw/zinc/27/24/68/345272468.db2.gz YFIPFSAFHSYPFZ-SGMGOOAPSA-N 0 3 282.351 2.005 20 30 CEEDHN N#Cc1ccc2c(c1)CC[C@H]2NC[C@@H](O)CC(F)(F)F ZINC000591764788 345278701 /nfs/dbraw/zinc/27/87/01/345278701.db2.gz JPPUYTNIQKWVEE-WCQYABFASA-N 0 3 284.281 2.448 20 30 CEEDHN N#Cc1cnccc1CN1CCC[C@@H]1C1CCOCC1 ZINC000592098221 345322022 /nfs/dbraw/zinc/32/20/22/345322022.db2.gz MWMQQGCJDZNCBS-MRXNPFEDSA-N 0 3 271.364 2.344 20 30 CEEDHN Cc1ccccc1OC[C@H](O)CNCC(C)(C)CC#N ZINC000591770152 345279328 /nfs/dbraw/zinc/27/93/28/345279328.db2.gz CGQRQKHKVCETLJ-CQSZACIVSA-N 0 3 276.380 2.264 20 30 CEEDHN CC(C)OC[C@H](O)CNCc1ccc(C#N)c(Cl)c1 ZINC000591765729 345279384 /nfs/dbraw/zinc/27/93/84/345279384.db2.gz DAHLBPYUGXIDHX-CYBMUJFWSA-N 0 3 282.771 2.087 20 30 CEEDHN CC[C@@H](C)C[C@H](CO)NCc1ccc(C#N)c(OC)c1 ZINC000592375598 345347440 /nfs/dbraw/zinc/34/74/40/345347440.db2.gz WBBOFDSUKQQJLF-IUODEOHRSA-N 0 3 276.380 2.454 20 30 CEEDHN CN(CCC#N)C(=O)CCN1CCS[C@H]2CCCC[C@@H]21 ZINC000092800375 282396143 /nfs/dbraw/zinc/39/61/43/282396143.db2.gz WUADVAQEEJQJSR-KBPBESRZSA-N 0 3 295.452 2.109 20 30 CEEDHN CC[C@H](CSC)N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000592512912 345363122 /nfs/dbraw/zinc/36/31/22/345363122.db2.gz SJUCEKVUKMJDLL-CYBMUJFWSA-N 0 3 289.408 2.174 20 30 CEEDHN CCC[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccn1 ZINC000592129241 345327608 /nfs/dbraw/zinc/32/76/08/345327608.db2.gz OLSMGGSUGSGLDA-JSGCOSHPSA-N 0 3 274.368 2.060 20 30 CEEDHN N#Cc1cc(CN2CCC[C@H]2[C@H]2CCCOC2)ccn1 ZINC000592134991 345327646 /nfs/dbraw/zinc/32/76/46/345327646.db2.gz YMNBXCUURKFARA-HOCLYGCPSA-N 0 3 271.364 2.344 20 30 CEEDHN CN(CCC(C)(C)C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000592144925 345328739 /nfs/dbraw/zinc/32/87/39/345328739.db2.gz QEACQCYWTDGAQV-OAHLLOKOSA-N 0 3 265.401 2.163 20 30 CEEDHN Cc1ccc(C)c(OCCCN2CC[C@](O)(CC#N)C2)c1 ZINC000592146274 345329137 /nfs/dbraw/zinc/32/91/37/345329137.db2.gz AZXVYLMNJCLHPA-QGZVFWFLSA-N 0 3 288.391 2.423 20 30 CEEDHN CCC(C#N)C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 ZINC000593452244 345489798 /nfs/dbraw/zinc/48/97/98/345489798.db2.gz YQJRJMNRYVFWDQ-GFCCVEGCSA-N 0 3 299.330 2.254 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C ZINC000593521835 345502873 /nfs/dbraw/zinc/50/28/73/345502873.db2.gz LNDSLRMJGIJNDP-QWRGUYRKSA-N 0 3 268.357 2.019 20 30 CEEDHN C[C@H]1C[C@H](N(C)C(=O)NCC2(C#N)CCCC2)CCN1C ZINC000593427485 345483631 /nfs/dbraw/zinc/48/36/31/345483631.db2.gz RUDHHGJXNWYDMW-UONOGXRCSA-N 0 3 292.427 2.194 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)NCC1(C#N)CCCC1 ZINC000593430365 345483859 /nfs/dbraw/zinc/48/38/59/345483859.db2.gz PIMJEEONPXDFEJ-UHFFFAOYSA-N 0 3 280.416 2.052 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000593708905 345525920 /nfs/dbraw/zinc/52/59/20/345525920.db2.gz SBZSDOHNVHOBRF-RISCZKNCSA-N 0 3 277.343 2.094 20 30 CEEDHN CC[C@H](C#N)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000593739541 345529966 /nfs/dbraw/zinc/52/99/66/345529966.db2.gz AGKVSXUQWBVGRA-CYBMUJFWSA-N 0 3 289.379 2.424 20 30 CEEDHN CCC(C#N)C(=O)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000593749226 345532719 /nfs/dbraw/zinc/53/27/19/345532719.db2.gz BXYPUPOFKZJACL-YNEHKIRRSA-N 0 3 294.395 2.362 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000593883668 345548370 /nfs/dbraw/zinc/54/83/70/345548370.db2.gz RIAHGCFSFYADQO-KRWDZBQOSA-N 0 3 289.423 2.405 20 30 CEEDHN CCC(C#N)=C([O-])N=c1cc(C2C(C)(C)C2(C)C)[nH][nH]1 ZINC000593898893 345550259 /nfs/dbraw/zinc/55/02/59/345550259.db2.gz QDFYMBWNUHBGTA-VIFPVBQESA-N 0 3 274.368 2.469 20 30 CEEDHN CCC(C#N)C(=O)N=c1cc(C2C(C)(C)C2(C)C)[nH][nH]1 ZINC000593898893 345550262 /nfs/dbraw/zinc/55/02/62/345550262.db2.gz QDFYMBWNUHBGTA-VIFPVBQESA-N 0 3 274.368 2.469 20 30 CEEDHN CCC(CC)CN(CCC#N)CC[C@H]1CCNC1=O ZINC000593960186 345556086 /nfs/dbraw/zinc/55/60/86/345556086.db2.gz OAGYVZHXJCPLFN-CQSZACIVSA-N 0 3 265.401 2.164 20 30 CEEDHN C[C@H](CNC(=O)CCCCC#N)N1CCCC[C@H]1C ZINC000593964050 345557030 /nfs/dbraw/zinc/55/70/30/345557030.db2.gz XLFVCZADBIWCKV-ZIAGYGMSSA-N 0 3 265.401 2.449 20 30 CEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)CCCCC#N)C1 ZINC000593992988 345562252 /nfs/dbraw/zinc/56/22/52/345562252.db2.gz LHAZDTLRFYPYLO-ZIAGYGMSSA-N 0 3 263.385 2.013 20 30 CEEDHN COC(=O)C1(CNC2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000594032847 345569798 /nfs/dbraw/zinc/56/97/98/345569798.db2.gz APTJHROZEIVWAX-UHFFFAOYSA-N 0 3 284.359 2.480 20 30 CEEDHN COC(=O)CC1CC(NCC2(C#N)CCCC2)C1 ZINC000593653271 345517311 /nfs/dbraw/zinc/51/73/11/345517311.db2.gz BGWRZSVTQCENPT-UHFFFAOYSA-N 0 3 250.342 2.002 20 30 CEEDHN N#Cc1ccc(CC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000594194944 345596403 /nfs/dbraw/zinc/59/64/03/345596403.db2.gz BHRNPLDXRSYSLS-IRXDYDNUSA-N 0 3 297.402 2.234 20 30 CEEDHN Cc1cc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)ncc1C#N ZINC000594195958 345596687 /nfs/dbraw/zinc/59/66/87/345596687.db2.gz JLYKXPFMIOSBTK-GDBMZVCRSA-N 0 3 298.390 2.008 20 30 CEEDHN N#CCCCCC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594196709 345596988 /nfs/dbraw/zinc/59/69/88/345596988.db2.gz LRTKBRPUZYXOLT-UONOGXRCSA-N 0 3 263.385 2.203 20 30 CEEDHN CCCN(C)CC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594403673 345622047 /nfs/dbraw/zinc/62/20/47/345622047.db2.gz MFOILBKLIYQPTL-UHFFFAOYSA-N 0 3 285.391 2.395 20 30 CEEDHN CCCCn1nccc1NC(=O)[C@H](N)CCCCC#N ZINC000594425873 345625961 /nfs/dbraw/zinc/62/59/61/345625961.db2.gz BEJFKHYQVLUUGO-GFCCVEGCSA-N 0 3 277.372 2.033 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000594426516 345626608 /nfs/dbraw/zinc/62/66/08/345626608.db2.gz DOQJEHDNVZFLAO-OAHLLOKOSA-N 0 3 297.362 2.222 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCC1CCCC1 ZINC000594429085 345627878 /nfs/dbraw/zinc/62/78/78/345627878.db2.gz QJQBIEJTEWJXAC-CYBMUJFWSA-N 0 3 251.374 2.094 20 30 CEEDHN CC(C)[C@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594429111 345627940 /nfs/dbraw/zinc/62/79/40/345627940.db2.gz QVJWLTGPSMGQMX-QWHCGFSZSA-N 0 3 251.374 2.045 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000594430357 345628378 /nfs/dbraw/zinc/62/83/78/345628378.db2.gz ZYNYRGTWXVMTNB-ILXRZTDVSA-N 0 3 271.364 2.070 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000594431683 345628793 /nfs/dbraw/zinc/62/87/93/345628793.db2.gz PRNVVKGDUYTGOY-KKUMJFAQSA-N 0 3 289.354 2.209 20 30 CEEDHN CSc1ccc(CNC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594431045 345628832 /nfs/dbraw/zinc/62/88/32/345628832.db2.gz GORFYABSGAXXGT-CQSZACIVSA-N 0 3 291.420 2.436 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCc2ccc(F)cc2C1 ZINC000594436332 345629837 /nfs/dbraw/zinc/62/98/37/345629837.db2.gz GWBPJQPKBPWFCN-HNNXBMFYSA-N 0 3 289.354 2.122 20 30 CEEDHN CCN(CCC(F)(F)F)C(=O)[C@@H](N)CCCCC#N ZINC000594435563 345630149 /nfs/dbraw/zinc/63/01/49/345630149.db2.gz CQHIKWOYQDIPPE-JTQLQIEISA-N 0 3 279.306 2.199 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000594434538 345630156 /nfs/dbraw/zinc/63/01/56/345630156.db2.gz OGLDDATYPZMQKK-GJZGRUSLSA-N 0 3 289.354 2.340 20 30 CEEDHN CC(C)[C@H](C)N(C(=O)[C@@H](N)CCCCC#N)C1CC1 ZINC000594437311 345630326 /nfs/dbraw/zinc/63/03/26/345630326.db2.gz VKPMWKXAMLXFAJ-JSGCOSHPSA-N 0 3 265.401 2.433 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCc2ccsc2C1 ZINC000594438346 345630343 /nfs/dbraw/zinc/63/03/43/345630343.db2.gz UBOPBWLTJJMMEI-GFCCVEGCSA-N 0 3 277.393 2.044 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000594443854 345632033 /nfs/dbraw/zinc/63/20/33/345632033.db2.gz VWSOZUAIJPHTHE-MWDXBVQZSA-N 0 3 297.402 2.242 20 30 CEEDHN CCOc1ccccc1N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594442762 345632043 /nfs/dbraw/zinc/63/20/43/345632043.db2.gz JKAPIWOWDCMKJX-ZDUSSCGKSA-N 0 3 289.379 2.459 20 30 CEEDHN CC[C@@H](C)CN(CC)C(=O)[C@H](N)CCCCC#N ZINC000594445650 345632602 /nfs/dbraw/zinc/63/26/02/345632602.db2.gz JNLGNXZQBOBLJT-CHWSQXEVSA-N 0 3 253.390 2.292 20 30 CEEDHN CC[C@@H]1CCC[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594446890 345632710 /nfs/dbraw/zinc/63/27/10/345632710.db2.gz YZYYXJFGWYDEAR-JHJVBQTASA-N 0 3 251.374 2.093 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594447675 345633189 /nfs/dbraw/zinc/63/31/89/345633189.db2.gz VEGVUDJERPVWHC-HZSPNIEDSA-N 0 3 265.401 2.435 20 30 CEEDHN N#Cc1ccncc1N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594603922 345658096 /nfs/dbraw/zinc/65/80/96/345658096.db2.gz WLPBXXYVNKOQCG-HIFRSBDPSA-N 0 3 256.353 2.382 20 30 CEEDHN CO[C@@](C)(CO)CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000594512904 345641127 /nfs/dbraw/zinc/64/11/27/345641127.db2.gz SQUIUSMNXUXZSG-IAGOWNOFSA-N 0 3 288.391 2.313 20 30 CEEDHN C[C@H](N[C@H]1CCc2c(nnn2C)C1)c1ccc(C#N)cc1F ZINC000594519109 345642941 /nfs/dbraw/zinc/64/29/41/345642941.db2.gz CZLUCWQVBXYDDX-JQWIXIFHSA-N 0 3 299.353 2.034 20 30 CEEDHN N#Cc1ccc(OCCCN2CCCOCC2)cc1 ZINC000059950751 362654829 /nfs/dbraw/zinc/65/48/29/362654829.db2.gz ZLSBOKTVJIHDKH-UHFFFAOYSA-N 0 3 260.337 2.049 20 30 CEEDHN C[C@@H]1C[C@@H](NC2CCC(C)(C#N)CC2)c2ncnn21 ZINC000595074116 345740227 /nfs/dbraw/zinc/74/02/27/345740227.db2.gz TYVJMTJUWGLFJG-KTEZZQQRSA-N 0 3 259.357 2.346 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000595250885 345747690 /nfs/dbraw/zinc/74/76/90/345747690.db2.gz RBRNIQUCFCJQOG-MCIONIFRSA-N 0 3 263.385 2.259 20 30 CEEDHN C[C@H]1CC(CNC(=O)[C@@H](N)CCCC#N)C[C@H](C)C1 ZINC000595257307 345749812 /nfs/dbraw/zinc/74/98/12/345749812.db2.gz UBDHTVCVOXXUEQ-BZPMIXESSA-N 0 3 265.401 2.196 20 30 CEEDHN Cn1ncc(C2CCC2)c1CN[C@H]1CC[C@@H](C#N)C1 ZINC000594946620 345713204 /nfs/dbraw/zinc/71/32/04/345713204.db2.gz QXQAOLBZLKUEKN-YPMHNXCESA-N 0 3 258.369 2.469 20 30 CEEDHN CCNC(=O)C(C)(C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594947190 345713535 /nfs/dbraw/zinc/71/35/35/345713535.db2.gz XDQHCOCVYSWUPG-UHFFFAOYSA-N 0 3 285.391 2.246 20 30 CEEDHN N#CC1(c2ccc(CN[C@@H](CO)CCF)cc2)CC1 ZINC000594947808 345713546 /nfs/dbraw/zinc/71/35/46/345713546.db2.gz FTNGRWOEGUNBLS-CQSZACIVSA-N 0 3 262.328 2.052 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2ccnn2-c2ccncc2)C1 ZINC000594950420 345713873 /nfs/dbraw/zinc/71/38/73/345713873.db2.gz KJVKJQPVANLZNL-OLZOCXBDSA-N 0 3 267.336 2.049 20 30 CEEDHN COC[C@@H](NCc1ccccc1C#N)C1CCOCC1 ZINC000594957066 345715803 /nfs/dbraw/zinc/71/58/03/345715803.db2.gz MDWJUZNPYWPUHW-MRXNPFEDSA-N 0 3 274.364 2.089 20 30 CEEDHN CO[C@@H](CN1CCN(c2ccccc2C#N)CC1)C1CCC1 ZINC000595300670 345757757 /nfs/dbraw/zinc/75/77/57/345757757.db2.gz FEKYHYLUPKUXOF-SFHVURJKSA-N 0 3 299.418 2.495 20 30 CEEDHN C=CCOCCCNCc1ccccc1[N+](=O)[O-] ZINC000594975462 345720929 /nfs/dbraw/zinc/72/09/29/345720929.db2.gz VMUBQRRYYGLAFG-UHFFFAOYSA-N 0 3 250.298 2.277 20 30 CEEDHN Cc1cc(CN[C@H]2C[C@@H](O)C23CCC3)ccc1C#N ZINC000594987858 345722522 /nfs/dbraw/zinc/72/25/22/345722522.db2.gz LFBPDLXVSWCHEM-LSDHHAIUSA-N 0 3 256.349 2.260 20 30 CEEDHN CN1c2ccccc2C[C@@H](N[C@H]2CCC[C@H](C#N)C2)C1=O ZINC000595059555 345736744 /nfs/dbraw/zinc/73/67/44/345736744.db2.gz FELOUHJUMUHJJZ-AEGPPILISA-N 0 3 283.375 2.246 20 30 CEEDHN C=CCCSCCN[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000595060173 345737279 /nfs/dbraw/zinc/73/72/79/345737279.db2.gz TXNVKNIWHSMYES-QWHCGFSZSA-N 0 3 291.482 2.241 20 30 CEEDHN CC(=O)NCc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000595060266 345737313 /nfs/dbraw/zinc/73/73/13/345737313.db2.gz LVVLTXWEFVTZCL-SJORKVTESA-N 0 3 285.391 2.495 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)NCC1(CC#N)CC1 ZINC000595593642 345820662 /nfs/dbraw/zinc/82/06/62/345820662.db2.gz RWFXAKHCQMPCKZ-CQSZACIVSA-N 0 3 292.427 2.100 20 30 CEEDHN C[C@@H]1CCCN(CCOc2ccccc2C#N)[C@H]1CCO ZINC000595691400 345849770 /nfs/dbraw/zinc/84/97/70/345849770.db2.gz APGZZWCIAZGGJI-ZBFHGGJFSA-N 0 3 288.391 2.420 20 30 CEEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1COCCO1 ZINC000595734733 345862352 /nfs/dbraw/zinc/86/23/52/345862352.db2.gz AKUDEYWVHFZQPU-INIZCTEOSA-N 0 3 288.391 2.335 20 30 CEEDHN N#CC[C@@H]1CCCN(C[C@H](O)COCc2cccs2)C1 ZINC000595609998 345825780 /nfs/dbraw/zinc/82/57/80/345825780.db2.gz RKLPPYXEYAWEJR-KBPBESRZSA-N 0 3 294.420 2.251 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](Cn2ccnn2)C1 ZINC000595609369 345825902 /nfs/dbraw/zinc/82/59/02/345825902.db2.gz YOJXCVRIXSSHJA-ZFWWWQNUSA-N 0 3 281.363 2.233 20 30 CEEDHN CCc1nn(C)c(OC)c1CNC[C@H](C)CCC#N ZINC000602580787 347087856 /nfs/dbraw/zinc/08/78/56/347087856.db2.gz GWNSPMUJEYXYGY-LLVKDONJSA-N 0 3 264.373 2.021 20 30 CEEDHN Cn1nnc2cc(CN3CCC[C@@H](CC#N)C3)ccc21 ZINC000595617557 345828973 /nfs/dbraw/zinc/82/89/73/345828973.db2.gz WWUOMLSMBSTOEZ-LBPRGKRZSA-N 0 3 269.352 2.094 20 30 CEEDHN CSC[C@@H](O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595640193 345835288 /nfs/dbraw/zinc/83/52/88/345835288.db2.gz PENOURYALPCGKT-ZDUSSCGKSA-N 0 3 264.394 2.107 20 30 CEEDHN C[C@]1(C#N)CCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000595844499 345897276 /nfs/dbraw/zinc/89/72/76/345897276.db2.gz UEUAGBKJTBAWQM-DLBZAZTESA-N 0 3 269.392 2.496 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](CN3CCCC3=O)C2)cc1 ZINC000595831251 345889330 /nfs/dbraw/zinc/88/93/30/345889330.db2.gz ZORMLZKBJBXJGA-INIZCTEOSA-N 0 3 283.375 2.003 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@H]2COC[C@@H]2C1 ZINC000595835038 345891264 /nfs/dbraw/zinc/89/12/64/345891264.db2.gz UISGTVYWOMAOMN-ZFWWWQNUSA-N 0 3 272.348 2.035 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@H](C2CCC2)C1 ZINC000595838226 345894157 /nfs/dbraw/zinc/89/41/57/345894157.db2.gz UBLNCURFGPMNBP-HIFRSBDPSA-N 0 3 277.412 2.259 20 30 CEEDHN COc1ccc(CN2CCC[C@](O)(C3CC3)C2)cc1C#N ZINC000595749904 345865625 /nfs/dbraw/zinc/86/56/25/345865625.db2.gz IDONYJJUQSKOPI-QGZVFWFLSA-N 0 3 286.375 2.304 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@](O)(C3CC3)C2)s1 ZINC000595749313 345865860 /nfs/dbraw/zinc/86/58/60/345865860.db2.gz KMSLRMZHYLCFGH-CQSZACIVSA-N 0 3 262.378 2.357 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@@H]2COC[C@]2(C)C1 ZINC000595756253 345867380 /nfs/dbraw/zinc/86/73/80/345867380.db2.gz FSAXCTYJFNUVOQ-ZBFHGGJFSA-N 0 3 272.348 2.035 20 30 CEEDHN CC[C@H](NCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000595765109 345870060 /nfs/dbraw/zinc/87/00/60/345870060.db2.gz HEQLMKFOFBDZIK-AWEZNQCLSA-N 0 3 257.337 2.275 20 30 CEEDHN C[C@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@@]1(C)CO ZINC000595870009 345901806 /nfs/dbraw/zinc/90/18/06/345901806.db2.gz FLGBXQYHSPAATL-NHYWBVRUSA-N 0 3 262.328 2.148 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000595948644 345917507 /nfs/dbraw/zinc/91/75/07/345917507.db2.gz SQMPZZGFHMFISB-ZIAGYGMSSA-N 0 3 263.385 2.046 20 30 CEEDHN Cc1cc(N2C[C@@H](C)N(C)C[C@@H]2C)cc(C#N)c1[N+](=O)[O-] ZINC000596180414 345961902 /nfs/dbraw/zinc/96/19/02/345961902.db2.gz ZNCUFHHDPDCEPK-NEPJUHHUSA-N 0 3 288.351 2.304 20 30 CEEDHN CC[C@@H](C)N1CCN(c2nc(C#N)ccc2C)CC1 ZINC000596258552 345982899 /nfs/dbraw/zinc/98/28/99/345982899.db2.gz KNAJXSHVYRMFCH-CYBMUJFWSA-N 0 3 258.369 2.182 20 30 CEEDHN C[C@@H](CC#N)c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000596587640 346060749 /nfs/dbraw/zinc/06/07/49/346060749.db2.gz VFQOGRRFVSQOGZ-YEJSDXFRSA-N 0 3 260.341 2.427 20 30 CEEDHN N#CC1(c2ccc(CNC3(CC(N)=O)CCC3)cc2)CC1 ZINC000597088256 346127371 /nfs/dbraw/zinc/12/73/71/346127371.db2.gz LJXUCFZLPFRXQE-UHFFFAOYSA-N 0 3 283.375 2.129 20 30 CEEDHN CC1(C)CN(Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1O ZINC000597114825 346130234 /nfs/dbraw/zinc/13/02/34/346130234.db2.gz AXQLTNFETZDJPY-OAHLLOKOSA-N 0 3 270.376 2.444 20 30 CEEDHN COC(=O)CC(C)(C)C[C@H](C)NCC1(C#N)CC1 ZINC000597121777 346130610 /nfs/dbraw/zinc/13/06/10/346130610.db2.gz TXGWQOQEFUUDEE-NSHDSACASA-N 0 3 252.358 2.248 20 30 CEEDHN CN(Cc1cccc(OCCCC#N)c1)C1(CO)CC1 ZINC000597256122 346163594 /nfs/dbraw/zinc/16/35/94/346163594.db2.gz SYNIQURVBICTEI-UHFFFAOYSA-N 0 3 274.364 2.326 20 30 CEEDHN C[C@@H]1CCN(CCNC(=O)CC2(C#N)CCCCC2)C1 ZINC000597324827 346171920 /nfs/dbraw/zinc/17/19/20/346171920.db2.gz HAMLCAUCMYVPMD-CQSZACIVSA-N 0 3 277.412 2.309 20 30 CEEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1COCCO1 ZINC000597207878 346148683 /nfs/dbraw/zinc/14/86/83/346148683.db2.gz WLUCUOVASZBJQX-INIZCTEOSA-N 0 3 286.375 2.089 20 30 CEEDHN COc1cc(CN2C[C@H](C)[C@](C)(CO)C2)ccc1C#N ZINC000597236530 346158153 /nfs/dbraw/zinc/15/81/53/346158153.db2.gz RROVLHVWZUVMTR-LRDDRELGSA-N 0 3 274.364 2.017 20 30 CEEDHN C=CCOc1cccc(CN[C@H]2C[C@H](C(=O)OC)C2)c1 ZINC000597245223 346160588 /nfs/dbraw/zinc/16/05/88/346160588.db2.gz XVDYNXGGKDPTSI-HDJSIYSDSA-N 0 3 275.348 2.293 20 30 CEEDHN CC1(C)C[C@@H](NC(=O)C(C#N)CCc2ccccc2)CO1 ZINC000597863736 346241738 /nfs/dbraw/zinc/24/17/38/346241738.db2.gz HTTZAINOXOSOFH-HUUCEWRRSA-N 0 3 286.375 2.443 20 30 CEEDHN CCN1CCCC[C@H]1C(=O)N1CCC[C@H](CC#N)C1 ZINC000597910789 346251003 /nfs/dbraw/zinc/25/10/03/346251003.db2.gz AWAZYKMTORJQCO-KGLIPLIRSA-N 0 3 263.385 2.013 20 30 CEEDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cscc2C#N)C1 ZINC000597920960 346253821 /nfs/dbraw/zinc/25/38/21/346253821.db2.gz DDKVKJITRXFKBG-LLVKDONJSA-N 0 3 277.393 2.222 20 30 CEEDHN CCN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CCN(CC)C1 ZINC000598043203 346275095 /nfs/dbraw/zinc/27/50/95/346275095.db2.gz RXCRNKXADSJKMS-KRWDZBQOSA-N 0 3 299.418 2.434 20 30 CEEDHN CC[C@@H](C(=O)N([C@H](C)C#N)C1CC1)N(CC)CC ZINC000598127856 346293824 /nfs/dbraw/zinc/29/38/24/346293824.db2.gz DNXSJIBLLSTORE-YPMHNXCESA-N 0 3 251.374 2.010 20 30 CEEDHN CCCN1CC[C@H](NC(=O)CCCCCC#N)C1 ZINC000598342761 346331854 /nfs/dbraw/zinc/33/18/54/346331854.db2.gz PXDUNSTZAXPCGL-ZDUSSCGKSA-N 0 3 251.374 2.061 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)[C@H](C)Cc2ccc(C#N)cc2)C1 ZINC000598342221 346332173 /nfs/dbraw/zinc/33/21/73/346332173.db2.gz KSSXTCQVEONCGZ-RHSMWYFYSA-N 0 3 299.418 2.337 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598587187 346378435 /nfs/dbraw/zinc/37/84/35/346378435.db2.gz 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/nfs/dbraw/zinc/40/98/04/346409804.db2.gz PIMRUZUJOFMYIA-ZBFHGGJFSA-N 0 3 287.407 2.063 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc2c(c1)COC2 ZINC000598724175 346408622 /nfs/dbraw/zinc/40/86/22/346408622.db2.gz IZOMAKNWWPDDKE-OAHLLOKOSA-N 0 3 274.364 2.107 20 30 CEEDHN CCc1noc(CC)c1CNC[C@@H](O)CC(C)(C)C#N ZINC000598722240 346408771 /nfs/dbraw/zinc/40/87/71/346408771.db2.gz BCLUOWQLYRCBGO-NSHDSACASA-N 0 3 279.384 2.190 20 30 CEEDHN C=C[C@H](C)NCc1cc(C(=O)OC)c2n1CCCC2 ZINC000598637149 346389687 /nfs/dbraw/zinc/38/96/87/346389687.db2.gz YQCQEVAFSQYZKD-NSHDSACASA-N 0 3 262.353 2.275 20 30 CEEDHN Cc1cccc([C@@H]2CCCN2C(=O)[C@@H](N)CCCC#N)n1 ZINC000598665523 346396222 /nfs/dbraw/zinc/39/62/22/346396222.db2.gz PUGSJBAMJZFXMG-ZFWWWQNUSA-N 0 3 286.379 2.075 20 30 CEEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccccc1[N+](=O)[O-] ZINC000599354624 346504666 /nfs/dbraw/zinc/50/46/66/346504666.db2.gz QTMLYEIBANBJPX-NWDGAFQWSA-N 0 3 289.335 2.300 20 30 CEEDHN CCN1CCN(Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599416932 346515466 /nfs/dbraw/zinc/51/54/66/346515466.db2.gz YRUCSLHYQGRZQQ-AWEZNQCLSA-N 0 3 257.381 2.393 20 30 CEEDHN CC(C)(NC[C@@H](O)CC1(O)CCC1)c1cccc(C#N)c1 ZINC000599462557 346524435 /nfs/dbraw/zinc/52/44/35/346524435.db2.gz RPUHGRQJRNXMQB-HNNXBMFYSA-N 0 3 288.391 2.049 20 30 CEEDHN C[C@@H](c1ccco1)N(C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599271220 346488230 /nfs/dbraw/zinc/48/82/30/346488230.db2.gz CQKCNOIKHXDKNP-UONOGXRCSA-N 0 3 292.379 2.344 20 30 CEEDHN C[C@]1(CNCc2cccc(C#N)n2)CCO[C@H]1C1CC1 ZINC000602612970 347102469 /nfs/dbraw/zinc/10/24/69/347102469.db2.gz VTWCUEDELNXYKC-JKSUJKDBSA-N 0 3 271.364 2.248 20 30 CEEDHN CC(=O)NC[C@@H]1CCCCN1Cc1ccc(C#N)cc1C ZINC000599688560 346565690 /nfs/dbraw/zinc/56/56/90/346565690.db2.gz FCCBPKOZKSVLIE-KRWDZBQOSA-N 0 3 285.391 2.357 20 30 CEEDHN CCC[C@@H](O)CN1CCc2c(CC#N)cccc2C1 ZINC000599679151 346563256 /nfs/dbraw/zinc/56/32/56/346563256.db2.gz WREDRVYVEQQFSQ-OAHLLOKOSA-N 0 3 258.365 2.272 20 30 CEEDHN C=CCOCCN1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583209 346542040 /nfs/dbraw/zinc/54/20/40/346542040.db2.gz QMNOVYDEMZDQEF-ZIAGYGMSSA-N 0 3 283.412 2.489 20 30 CEEDHN CC1(C)CCC[C@@](CO)(NCc2ccnc(C#N)c2)C1 ZINC000599592889 346543213 /nfs/dbraw/zinc/54/32/13/346543213.db2.gz BRRDOCQASUQCAR-MRXNPFEDSA-N 0 3 273.380 2.374 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599638765 346551172 /nfs/dbraw/zinc/55/11/72/346551172.db2.gz QBLJRQSLHZOKEE-DOTOQJQBSA-N 0 3 286.375 2.161 20 30 CEEDHN CCC(C#N)C(=O)N1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000600137513 346603504 /nfs/dbraw/zinc/60/35/04/346603504.db2.gz CFHNNRGKVHMWST-ABAIWWIYSA-N 0 3 280.368 2.259 20 30 CEEDHN N#CCC[C@H](C#N)CNC[C@@H]1CCN1C1CCCCC1 ZINC000600607416 346661296 /nfs/dbraw/zinc/66/12/96/346661296.db2.gz YBPHTWSDTPKMSH-ZBFHGGJFSA-N 0 3 274.412 2.427 20 30 CEEDHN N#CCCCCC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600468711 346642136 /nfs/dbraw/zinc/64/21/36/346642136.db2.gz GUFUVBPBAHUQGZ-AWEZNQCLSA-N 0 3 263.385 2.203 20 30 CEEDHN CN(C)[C@H](CNC(=O)C1(C#N)CC2(CC2)C1)c1ccccc1 ZINC000600921511 346710495 /nfs/dbraw/zinc/71/04/95/346710495.db2.gz JTWMGRGBWWVZSN-OAHLLOKOSA-N 0 3 297.402 2.489 20 30 CEEDHN N#C[C@@H]1CC[C@@H](n2cc(CNC3CCCC3)nn2)C1 ZINC000600973743 346723534 /nfs/dbraw/zinc/72/35/34/346723534.db2.gz QWPBXAFVIZGFMJ-BXUZGUMPSA-N 0 3 259.357 2.175 20 30 CEEDHN N#CC1(C[C@@H](O)CNCc2ccc(OC(F)F)cc2)CC1 ZINC000600713507 346675833 /nfs/dbraw/zinc/67/58/33/346675833.db2.gz ARHKMRSEAKRASZ-GFCCVEGCSA-N 0 3 296.317 2.432 20 30 CEEDHN N#CC1(C[C@H](O)CNCc2cccc(C(F)(F)F)n2)CC1 ZINC000600738738 346682033 /nfs/dbraw/zinc/68/20/33/346682033.db2.gz KIZSFFJTVNPGNL-NSHDSACASA-N 0 3 299.296 2.245 20 30 CEEDHN N#Cc1cc(N2CC[C@@H](N3CCCCC3)C2)nc(C2CC2)n1 ZINC000601115265 346756839 /nfs/dbraw/zinc/75/68/39/346756839.db2.gz DZSNNJWLAMLPNI-OAHLLOKOSA-N 0 3 297.406 2.290 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601123360 346759836 /nfs/dbraw/zinc/75/98/36/346759836.db2.gz AOQHXYAGUDTLCT-KBPBESRZSA-N 0 3 289.423 2.449 20 30 CEEDHN CC(C)[C@H](NC1CCC(C#N)CC1)c1nncn1C ZINC000602650448 347123924 /nfs/dbraw/zinc/12/39/24/347123924.db2.gz LSLGZICYHNLUCW-BPCQOVAHSA-N 0 3 261.373 2.184 20 30 CEEDHN C=CCC(C)(C)CNCc1cc(C(=O)OC)no1 ZINC000602673013 347135299 /nfs/dbraw/zinc/13/52/99/347135299.db2.gz AYGJMGPYEYLOFU-UHFFFAOYSA-N 0 3 252.314 2.153 20 30 CEEDHN CO[C@H]1C[C@@H](N(C)Cc2cccc(C#N)n2)C12CCC2 ZINC000602680212 347140861 /nfs/dbraw/zinc/14/08/61/347140861.db2.gz KCJFXVSQVGYTHV-CABCVRRESA-N 0 3 271.364 2.343 20 30 CEEDHN Cc1ccc(C[C@H](CO)NCc2cccc(C#N)n2)cc1C ZINC000602689136 347148429 /nfs/dbraw/zinc/14/84/29/347148429.db2.gz VZSXJLNDVWTNJC-GOSISDBHSA-N 0 3 295.386 2.263 20 30 CEEDHN C[C@]1(CCCO)CCCN1Cc1cccc(C#N)n1 ZINC000602668091 347133548 /nfs/dbraw/zinc/13/35/48/347133548.db2.gz SYKRVXQVPFOQTH-OAHLLOKOSA-N 0 3 259.353 2.080 20 30 CEEDHN N#CCC1(CN2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000602787577 347198148 /nfs/dbraw/zinc/19/81/48/347198148.db2.gz WMKLMCPFCQDTSH-CQSZACIVSA-N 0 3 275.396 2.015 20 30 CEEDHN N#CCC1(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000602819296 347212931 /nfs/dbraw/zinc/21/29/31/347212931.db2.gz RSNGFUZKTMQUAQ-UHFFFAOYSA-N 0 3 289.339 2.122 20 30 CEEDHN N#Cc1cnn2cc(CN[C@]34C[C@H]3CCCC4)cnc12 ZINC000602731405 347175801 /nfs/dbraw/zinc/17/58/01/347175801.db2.gz JQCIKJTXUPLSOX-UKRRQHHQSA-N 0 3 267.336 2.023 20 30 CEEDHN CN(Cc1cc(C#N)cs1)[C@H]1CN2CCC1CC2 ZINC000602750806 347185303 /nfs/dbraw/zinc/18/53/03/347185303.db2.gz DJWOWVYXEONHOF-AWEZNQCLSA-N 0 3 261.394 2.146 20 30 CEEDHN N#CCC1(CN2CC[C@@H](Oc3ccncc3)C2)CC1 ZINC000602823773 347213764 /nfs/dbraw/zinc/21/37/64/347213764.db2.gz ZMHXLVZHTNUVAC-CQSZACIVSA-N 0 3 257.337 2.229 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(C(=O)OCC)s1 ZINC000602842654 347221319 /nfs/dbraw/zinc/22/13/19/347221319.db2.gz ZOXUHBJTNRTTHL-NEPJUHHUSA-N 0 3 296.392 2.143 20 30 CEEDHN C[C@H](CC#N)NC[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000602871704 347233025 /nfs/dbraw/zinc/23/30/25/347233025.db2.gz UVVNOPAADGHKBY-CHWSQXEVSA-N 0 3 265.401 2.163 20 30 CEEDHN N#CCSCCCN1CCC[C@@H]1c1cn[nH]c1 ZINC000602881478 347237218 /nfs/dbraw/zinc/23/72/18/347237218.db2.gz QPYVMKRJORWUQT-GFCCVEGCSA-N 0 3 250.371 2.193 20 30 CEEDHN C[C@@H]1OCC[C@H]1CN1CCN(c2ccsc2C#N)CC1 ZINC000602884523 347238091 /nfs/dbraw/zinc/23/80/91/347238091.db2.gz NRIVGRWQMSOVNR-STQMWFEESA-N 0 3 291.420 2.167 20 30 CEEDHN Cn1cncc1CCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908179 347244779 /nfs/dbraw/zinc/24/47/79/347244779.db2.gz ZGFAKQNZRZEJFJ-UHFFFAOYSA-N 0 3 295.390 2.109 20 30 CEEDHN CCC[C@@H](N)c1cn(Cc2ccc(F)c(C#N)c2)nn1 ZINC000603202878 347307421 /nfs/dbraw/zinc/30/74/21/347307421.db2.gz ZFCYJVNMGDQXAG-CYBMUJFWSA-N 0 3 273.315 2.137 20 30 CEEDHN CCC[C@H](N)c1cn(Cc2ccc(C#N)cc2C)nn1 ZINC000603237144 347319382 /nfs/dbraw/zinc/31/93/82/347319382.db2.gz NMPPRUUWNNTOIP-AWEZNQCLSA-N 0 3 269.352 2.306 20 30 CEEDHN C=C[C@H](CO)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000603433059 347369036 /nfs/dbraw/zinc/36/90/36/347369036.db2.gz QXRSRKGMIHFIGT-LWMSPQMPSA-N 0 3 262.309 2.135 20 30 CEEDHN CC(C)CCN(C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000603899851 347396375 /nfs/dbraw/zinc/39/63/75/347396375.db2.gz ZWQXAINBOSIQEA-UKRRQHHQSA-N 0 3 267.417 2.407 20 30 CEEDHN C=C(Cl)COc1ccc([C@@H](C)NC[C@H](O)COC)cc1 ZINC000129735182 365890408 /nfs/dbraw/zinc/89/04/08/365890408.db2.gz BLYJDOLQVCVSRR-OCCSQVGLSA-N 0 3 299.798 2.476 20 30 CEEDHN N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCN(CC2CC2)C1 ZINC000609384461 347637947 /nfs/dbraw/zinc/63/79/47/347637947.db2.gz WQSGSOGYAASSLP-ZDUSSCGKSA-N 0 3 286.335 2.363 20 30 CEEDHN CC[C@H](C(=O)NCc1ccc(C#N)cc1F)N(CC)CC ZINC000609857389 347653051 /nfs/dbraw/zinc/65/30/51/347653051.db2.gz HMBLWDZWHGYIQR-OAHLLOKOSA-N 0 3 291.370 2.434 20 30 CEEDHN COc1ccccc1[C@@H](C)NC1CCN(CC#N)CC1 ZINC000610812857 347716065 /nfs/dbraw/zinc/71/60/65/347716065.db2.gz NJRACFPLUCYNLT-CYBMUJFWSA-N 0 3 273.380 2.334 20 30 CEEDHN COCCOCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391411 347772798 /nfs/dbraw/zinc/77/27/98/347772798.db2.gz RJDUHMAEBXYXSZ-MRXNPFEDSA-N 0 3 274.364 2.188 20 30 CEEDHN C=CCNC(=O)C(C#N)c1ccc2ccccc2n1 ZINC000611158170 347745820 /nfs/dbraw/zinc/74/58/20/347745820.db2.gz MGTLMZCNSFMPIN-LBPRGKRZSA-N 0 3 251.289 2.144 20 30 CEEDHN CCN(CCC#N)Cc1ccc(OCCN(C)C)cc1 ZINC000611253900 347759220 /nfs/dbraw/zinc/75/92/20/347759220.db2.gz LSIXZHUVPTYRCO-UHFFFAOYSA-N 0 3 275.396 2.363 20 30 CEEDHN C[C@@H](NCCCn1cncn1)c1ccc(C#N)cc1F ZINC000611588478 347798079 /nfs/dbraw/zinc/79/80/79/347798079.db2.gz AAAYDQDVWDUDOJ-LLVKDONJSA-N 0 3 273.315 2.030 20 30 CEEDHN CCOCC(C)(C)NCc1cc(C#N)ccc1OC ZINC000339369356 215128767 /nfs/dbraw/zinc/12/87/67/215128767.db2.gz QPPRPLQRDIYNKZ-UHFFFAOYSA-N 0 3 262.353 2.472 20 30 CEEDHN C[S@](=O)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000613661441 348085996 /nfs/dbraw/zinc/08/59/96/348085996.db2.gz OAZJKZWYKAAONX-VBHSOAQHSA-N 0 3 262.378 2.206 20 30 CEEDHN C=CCC[C@@H](O)CN[C@H](CCOC)c1ccco1 ZINC000273321412 192111867 /nfs/dbraw/zinc/11/18/67/192111867.db2.gz WZKGMFAEGILFNP-CHWSQXEVSA-N 0 3 253.342 2.274 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CC[C@H]3CCC[C@H]32)c1 ZINC000614600731 348221278 /nfs/dbraw/zinc/22/12/78/348221278.db2.gz FLQCMQWYNQQDIE-HZPDHXFCSA-N 0 3 283.375 2.049 20 30 CEEDHN Cc1cc(C#N)ccc1CN(C)CCc1cnccn1 ZINC000614403301 348194332 /nfs/dbraw/zinc/19/43/32/348194332.db2.gz PUWPBWWSASGWJQ-UHFFFAOYSA-N 0 3 266.348 2.331 20 30 CEEDHN CS[C@H]1CN(Cc2ccc(C#N)cc2C)C[C@H]1N(C)C ZINC000614403344 348194472 /nfs/dbraw/zinc/19/44/72/348194472.db2.gz SSQFNWQCGVPIDR-CVEARBPZSA-N 0 3 289.448 2.344 20 30 CEEDHN Cc1c[nH]cc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000614438668 348201635 /nfs/dbraw/zinc/20/16/35/348201635.db2.gz QACLOQPKFKCOMD-NSHDSACASA-N 0 3 283.335 2.131 20 30 CEEDHN CC1(C)C[C@H](NCc2ccnc(C#N)c2)C(C)(C)O1 ZINC000614912647 348253556 /nfs/dbraw/zinc/25/35/56/348253556.db2.gz JMWZNHFAYNFNTA-ZDUSSCGKSA-N 0 3 259.353 2.389 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)C1CCCCC1 ZINC000066215886 362856924 /nfs/dbraw/zinc/85/69/24/362856924.db2.gz MUQDEYZPGPCYTJ-UHFFFAOYSA-N 0 3 250.386 2.452 20 30 CEEDHN N#CCNC(=O)CN1CCC[C@@H]1CC1CCCCC1 ZINC000066497112 362870928 /nfs/dbraw/zinc/87/09/28/362870928.db2.gz ZOOROHKVAOYPQU-CQSZACIVSA-N 0 3 263.385 2.061 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@H](C)N(C)C[C@@H]1C ZINC000351952940 219263776 /nfs/dbraw/zinc/26/37/76/219263776.db2.gz ZIEJNNGFRVPTJO-STQMWFEESA-N 0 3 273.380 2.091 20 30 CEEDHN CN(C)CCN(Cc1ccccc1F)c1ccnc(C#N)n1 ZINC000568782042 299154013 /nfs/dbraw/zinc/15/40/13/299154013.db2.gz GLEVOSGRXFYGJJ-UHFFFAOYSA-N 0 3 299.353 2.056 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)N2CC[C@@](F)(C#N)C2)c1 ZINC000615526017 348343030 /nfs/dbraw/zinc/34/30/30/348343030.db2.gz MKGCMMBZJUVPBX-OAHLLOKOSA-N 0 3 290.342 2.218 20 30 CEEDHN C[C@H]1C[C@@H](N(C)c2ccc(C#N)c([N+](=O)[O-])c2)CCN1C ZINC000357526611 233089637 /nfs/dbraw/zinc/08/96/37/233089637.db2.gz FDVCBDIIYOYKFR-FZMZJTMJSA-N 0 3 288.351 2.385 20 30 CEEDHN CC(C)C1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000619385363 349167195 /nfs/dbraw/zinc/16/71/95/349167195.db2.gz HCSIVGGFXWGOMZ-OAHLLOKOSA-N 0 3 281.359 2.355 20 30 CEEDHN CN1Cc2ccccc2[C@H](N[C@H]2CC[C@H](C#N)C2)C1 ZINC000619673356 349215291 /nfs/dbraw/zinc/21/52/91/349215291.db2.gz IICAAEGTWUAKJP-DUVNUKRYSA-N 0 3 255.365 2.455 20 30 CEEDHN C[C@@H]1OCC[C@@H]1NCc1ccc(C#N)c(Cl)c1 ZINC000619748602 349232423 /nfs/dbraw/zinc/23/24/23/349232423.db2.gz JPEXYBJGNOKRLK-ZANVPECISA-N 0 3 250.729 2.479 20 30 CEEDHN C[C@@H]1COCCCN1CCCC1(C#N)CCOCC1 ZINC000619621089 349206250 /nfs/dbraw/zinc/20/62/50/349206250.db2.gz WYZSEDNWNRWGGM-CQSZACIVSA-N 0 3 266.385 2.198 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1C1CC1 ZINC000620303977 349338360 /nfs/dbraw/zinc/33/83/60/349338360.db2.gz LPSJBWUQQCFRAF-QLFBSQMISA-N 0 3 260.381 2.323 20 30 CEEDHN C=CC(C)(C)CCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000623708314 350087331 /nfs/dbraw/zinc/08/73/31/350087331.db2.gz DGLYHRRUKYBZRC-OAHLLOKOSA-N 0 3 299.484 2.325 20 30 CEEDHN C=CC[C@@H](CO)CN[C@H]1CCCc2scnc21 ZINC000623928714 350146064 /nfs/dbraw/zinc/14/60/64/350146064.db2.gz ZUTOXQGHLYPWQI-MNOVXSKESA-N 0 3 252.383 2.295 20 30 CEEDHN C=CCNC(=O)CN[C@@H](c1ccccc1)C1CCC1 ZINC000104700774 186016026 /nfs/dbraw/zinc/01/60/26/186016026.db2.gz ZIYUCLQIYVSTQT-INIZCTEOSA-N 0 3 258.365 2.420 20 30 CEEDHN C#CCOc1ccccc1CN(C)C[C@@H]1CCC[C@H]1O ZINC000271288035 191051689 /nfs/dbraw/zinc/05/16/89/191051689.db2.gz QXKMIACVYVXJEI-GOEBONIOSA-N 0 3 273.376 2.291 20 30 CEEDHN CN1CC[C@H](CNc2snc(Cl)c2C#N)C1 ZINC000271311266 191066643 /nfs/dbraw/zinc/06/66/43/191066643.db2.gz MNGBUUBFACNVBX-SSDOTTSWSA-N 0 3 256.762 2.032 20 30 CEEDHN C[C@@H]1[C@@H](CO)CCCN1CCOc1ccc(C#N)cc1 ZINC000412071969 233329884 /nfs/dbraw/zinc/32/98/84/233329884.db2.gz HCQRVDJQSKDXRW-UKRRQHHQSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCCN1C ZINC000412244118 233371827 /nfs/dbraw/zinc/37/18/27/233371827.db2.gz MAFKSSGIVPHPLK-KKBVYLPWSA-N 0 3 297.402 2.261 20 30 CEEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H]1CCOC1 ZINC000339707457 215308094 /nfs/dbraw/zinc/30/80/94/215308094.db2.gz DQBXRXGAZGSCNX-MRXNPFEDSA-N 0 3 274.364 2.043 20 30 CEEDHN CCCCN(C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625048151 350397069 /nfs/dbraw/zinc/39/70/69/350397069.db2.gz RBRYAHYSZZHHPL-UHFFFAOYSA-N 0 3 284.359 2.018 20 30 CEEDHN C=CCN(CCc1cn(C)nn1)Cc1cccs1 ZINC000625057229 350398777 /nfs/dbraw/zinc/39/87/77/350398777.db2.gz VHFJXNCZONJYJU-UHFFFAOYSA-N 0 3 262.382 2.107 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H](C1CC1)C(C)(C)CO ZINC000339726903 215316356 /nfs/dbraw/zinc/31/63/56/215316356.db2.gz YISCGRRMADSZGE-MRXNPFEDSA-N 0 3 288.391 2.454 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)COc2ccccc2)CC1 ZINC000106039693 186099511 /nfs/dbraw/zinc/09/95/11/186099511.db2.gz CVAVSBVGCKBTJZ-UHFFFAOYSA-N 0 3 288.391 2.222 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)n2C)CC1 ZINC000106038180 186099525 /nfs/dbraw/zinc/09/95/25/186099525.db2.gz CATQJCIPJVJHHA-UHFFFAOYSA-N 0 3 275.396 2.104 20 30 CEEDHN CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H](C)O ZINC000352203288 219361228 /nfs/dbraw/zinc/36/12/28/219361228.db2.gz QMRYYCRQFYARAM-CYBMUJFWSA-N 0 3 298.390 2.161 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)NCc2ccccc2OC)C1 ZINC000625700726 350550163 /nfs/dbraw/zinc/55/01/63/350550163.db2.gz LOVHVHNVFTVZMY-AWEZNQCLSA-N 0 3 288.391 2.209 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)NCc2ccccc2F)C1 ZINC000625702517 350550621 /nfs/dbraw/zinc/55/06/21/350550621.db2.gz GRKSBTDWYZOKEY-ZDUSSCGKSA-N 0 3 276.355 2.340 20 30 CEEDHN C=CC[C@@H]1CCN(CCN2C(=O)c3ccccc3C2=O)C1 ZINC000625702850 350550722 /nfs/dbraw/zinc/55/07/22/350550722.db2.gz JMWUFIUIQCKSLX-CYBMUJFWSA-N 0 3 284.359 2.181 20 30 CEEDHN C=CC[C@@H]1CCN(Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000625703886 350551563 /nfs/dbraw/zinc/55/15/63/350551563.db2.gz VJXAQHDBDCVNCS-GFCCVEGCSA-N 0 3 272.352 2.473 20 30 CEEDHN C=CC1CCN(Cc2cc(=O)n3cccc(C)c3n2)CC1 ZINC000111258303 186379711 /nfs/dbraw/zinc/37/97/11/186379711.db2.gz HQQCTLXPPHTFIY-UHFFFAOYSA-N 0 3 283.375 2.401 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1CCC(N2CCCOCC2)CC1 ZINC000627741828 350914324 /nfs/dbraw/zinc/91/43/24/350914324.db2.gz WUXZHFFZEWBYPE-KRWDZBQOSA-N 0 3 294.439 2.302 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000069803064 363002884 /nfs/dbraw/zinc/00/28/84/363002884.db2.gz LCPJAEOCHLINDD-SFHVURJKSA-N 0 3 299.418 2.102 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000628966557 351229059 /nfs/dbraw/zinc/22/90/59/351229059.db2.gz BCJLDSNGZDEQGZ-UKRRQHHQSA-N 0 3 280.412 2.101 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1N1CC[C@H]2CC[C@@H](C1)N2C ZINC000131309456 366041845 /nfs/dbraw/zinc/04/18/45/366041845.db2.gz JCEOYPTYPMPKMB-CABCVRRESA-N 0 3 283.375 2.434 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@H]2C[C@H](OC)C2(CC)CC)C1=O ZINC000337189397 366062978 /nfs/dbraw/zinc/06/29/78/366062978.db2.gz RMQSXQIRBJFAAT-KKUMJFAQSA-N 0 3 294.439 2.299 20 30 CEEDHN CCCN1CCCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000122557403 187037867 /nfs/dbraw/zinc/03/78/67/187037867.db2.gz ZEDMXJXZCZMHCE-UHFFFAOYSA-N 0 3 285.391 2.425 20 30 CEEDHN CO[C@]1(CN[C@@H](C)c2ccc(C#N)cc2)CCOC1 ZINC000122839811 187054718 /nfs/dbraw/zinc/05/47/18/187054718.db2.gz KUMKGATWZZEFFV-WFASDCNBSA-N 0 3 260.337 2.014 20 30 CEEDHN C=CCN1CCC(NCc2cnc(CCOC)s2)CC1 ZINC000631063673 351944674 /nfs/dbraw/zinc/94/46/74/351944674.db2.gz DQNTWPCDXNJCFY-UHFFFAOYSA-N 0 3 295.452 2.072 20 30 CEEDHN C=CCN(CCC(=O)Nc1ccc2c(c1)OCO2)C1CC1 ZINC000271451185 191144790 /nfs/dbraw/zinc/14/47/90/191144790.db2.gz OFSFQAODVPXHTJ-UHFFFAOYSA-N 0 3 288.347 2.394 20 30 CEEDHN C=CCC1(NCc2cn(C[C@@H]3CCOC3)nn2)CCCC1 ZINC000631175582 352000624 /nfs/dbraw/zinc/00/06/24/352000624.db2.gz QJUIFNCKTUSCOO-AWEZNQCLSA-N 0 3 290.411 2.293 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1CSC1)C(C)C ZINC000631274792 352048569 /nfs/dbraw/zinc/04/85/69/352048569.db2.gz SSQGXPDBVLGGEE-AWEZNQCLSA-N 0 3 282.453 2.164 20 30 CEEDHN CC(C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000071033157 363107916 /nfs/dbraw/zinc/10/79/16/363107916.db2.gz JBDZSUBHMRRKIH-CQSZACIVSA-N 0 3 257.337 2.052 20 30 CEEDHN Cc1nc(N[C@H](C)C2=CCN(C)CC2)ccc1C#N ZINC000292001647 198131100 /nfs/dbraw/zinc/13/11/00/198131100.db2.gz RLHGJNIKMXDNLI-LLVKDONJSA-N 0 3 256.353 2.324 20 30 CEEDHN COCC#CCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000669694802 539945409 /nfs/dbraw/zinc/94/54/09/539945409.db2.gz FYJVFAYEFDHIKH-HNNXBMFYSA-N 0 3 287.407 2.049 20 30 CEEDHN CC(=O)c1ccc(C#N)c(N2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292217119 198205910 /nfs/dbraw/zinc/20/59/10/198205910.db2.gz HVLJVHWGPIJCRW-KRWDZBQOSA-N 0 3 283.375 2.293 20 30 CEEDHN C#CCSCCNCc1ccc([N+](=O)[O-])cc1 ZINC000152952132 188055233 /nfs/dbraw/zinc/05/52/33/188055233.db2.gz WWKFIZWEYVXRRX-UHFFFAOYSA-N 0 3 250.323 2.051 20 30 CEEDHN CSCCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292328354 198245916 /nfs/dbraw/zinc/24/59/16/198245916.db2.gz WEGXPWSZYHFFEI-ZDUSSCGKSA-N 0 3 277.393 2.159 20 30 CEEDHN CCC[C@@H](C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC000292589425 198342986 /nfs/dbraw/zinc/34/29/86/198342986.db2.gz GLQWCYWJSPOGAD-CYBMUJFWSA-N 0 3 273.380 2.200 20 30 CEEDHN CN1CCC(C(=O)N[C@@H](C#N)c2ccccc2Cl)CC1 ZINC000073647813 363238116 /nfs/dbraw/zinc/23/81/16/363238116.db2.gz FEAWMLSUAPAXAW-AWEZNQCLSA-N 0 3 291.782 2.363 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H]2OC(F)F)o1 ZINC000337307085 366137580 /nfs/dbraw/zinc/13/75/80/366137580.db2.gz SDGKJRJGMJKUHI-QWRGUYRKSA-N 0 3 256.252 2.401 20 30 CEEDHN C#CC[C@@H](NCC[C@@H]1CCOC1=O)c1ccccc1 ZINC000271748310 191303874 /nfs/dbraw/zinc/30/38/74/191303874.db2.gz WYHQGNRSNATZJB-HUUCEWRRSA-N 0 3 257.333 2.294 20 30 CEEDHN N#CC1(C(=O)NC[C@H]2CCCCN2C2CC2)CCOCC1 ZINC000329963439 283041850 /nfs/dbraw/zinc/04/18/50/283041850.db2.gz SPWKYMXREQRHJK-CQSZACIVSA-N 0 3 291.395 2.280 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1 ZINC000336120547 283058197 /nfs/dbraw/zinc/05/81/97/283058197.db2.gz APYNMUVAOAPFOZ-IAGOWNOFSA-N 0 3 269.392 2.496 20 30 CEEDHN C[C@@H](NC[C@]1(O)CCSC1)c1ccc(C#N)cc1 ZINC000271841124 191361434 /nfs/dbraw/zinc/36/14/34/191361434.db2.gz GWGFVSSUFOWWMJ-BXUZGUMPSA-N 0 3 262.378 2.077 20 30 CEEDHN N#Cc1cc(N2CCN(C3CCCC3)CC2)ccn1 ZINC000060537927 283104351 /nfs/dbraw/zinc/10/43/51/283104351.db2.gz VPBREXYSDFZETD-UHFFFAOYSA-N 0 3 256.353 2.018 20 30 CEEDHN CN1CC[C@@]2(CCN(C(=O)[C@]3(C#N)CC34CCCC4)C2)C1 ZINC000334633392 283105741 /nfs/dbraw/zinc/10/57/41/283105741.db2.gz FPSKNXCBPFFLGG-NVXWUHKLSA-N 0 3 287.407 2.015 20 30 CEEDHN CN1CCC(Nc2c(F)cc(C#N)cc2F)CC1 ZINC000133587981 366238501 /nfs/dbraw/zinc/23/85/01/366238501.db2.gz BVLPFTHYQDPOQB-UHFFFAOYSA-N 0 3 251.280 2.343 20 30 CEEDHN C=CCN1CCC(NC(=O)c2oc(C3CC3)nc2C)CC1 ZINC000273625941 192235994 /nfs/dbraw/zinc/23/59/94/192235994.db2.gz RIIPQUVPSIDWAB-UHFFFAOYSA-N 0 3 289.379 2.241 20 30 CEEDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1cccc(C#N)c1 ZINC000273672063 192256828 /nfs/dbraw/zinc/25/68/28/192256828.db2.gz GBUNMIJISKBVRK-VXGBXAGGSA-N 0 3 260.337 2.236 20 30 CEEDHN CC[C@H](C(=O)NCC#Cc1cccc(F)c1)N(CC)CC ZINC000338240929 366246799 /nfs/dbraw/zinc/24/67/99/366246799.db2.gz XONHZHDYUITMOT-MRXNPFEDSA-N 0 3 290.382 2.414 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC[C@H]2CCC[C@@H]21 ZINC000075769153 363487492 /nfs/dbraw/zinc/48/74/92/363487492.db2.gz AIWGCWQESVGHNE-KGLIPLIRSA-N 0 3 263.385 2.013 20 30 CEEDHN C#CCNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000075814869 363490778 /nfs/dbraw/zinc/49/07/78/363490778.db2.gz DXQYNFKATKFXCD-CYBMUJFWSA-N 0 3 279.409 2.063 20 30 CEEDHN C=CCCCN(C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000076738355 363544423 /nfs/dbraw/zinc/54/44/23/363544423.db2.gz BPZGIUBGADDWCF-HNNXBMFYSA-N 0 3 288.391 2.004 20 30 CEEDHN Fc1ccc(C#CCN2CCN(c3ccncc3)CC2)cc1 ZINC000156974414 540348848 /nfs/dbraw/zinc/34/88/48/540348848.db2.gz IUCAIQBIQKHTKE-UHFFFAOYSA-N 0 3 295.361 2.394 20 30 CEEDHN C=CCCN1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000338543700 366402166 /nfs/dbraw/zinc/40/21/66/366402166.db2.gz RJSOJSSINBCHNL-CVEARBPZSA-N 0 3 298.386 2.212 20 30 CEEDHN COc1ccc(CN[C@H]2CCOC2(C)C)cc1C#N ZINC000294883098 199230932 /nfs/dbraw/zinc/23/09/32/199230932.db2.gz UVHIWLJVQGSMRW-AWEZNQCLSA-N 0 3 260.337 2.224 20 30 CEEDHN N#CCSc1cccc(C(=O)NCCN2CCCC2)c1 ZINC000079506462 363610042 /nfs/dbraw/zinc/61/00/42/363610042.db2.gz RYEFLXJPCKPEOG-UHFFFAOYSA-N 0 3 289.404 2.128 20 30 CEEDHN CCC(CC)CN(CCC#N)CCCC(=O)NC ZINC000578202508 366460415 /nfs/dbraw/zinc/46/04/15/366460415.db2.gz SMPNLDCBLODEAY-UHFFFAOYSA-N 0 3 253.390 2.164 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCCN(c3ncccn3)C2)s1 ZINC000135681197 366466766 /nfs/dbraw/zinc/46/67/66/366466766.db2.gz MJSHJTMEPZCBAH-GFCCVEGCSA-N 0 3 299.403 2.168 20 30 CEEDHN N#Cc1ccc(N2CCC(NCc3cncs3)CC2)nc1 ZINC000136028432 366490644 /nfs/dbraw/zinc/49/06/44/366490644.db2.gz HFPVIYISEBPXIW-UHFFFAOYSA-N 0 3 299.403 2.168 20 30 CEEDHN CC(=O)c1ccc(C#N)c(N2CC[C@@H](CN(C)C)C2)c1 ZINC000338688890 366470978 /nfs/dbraw/zinc/47/09/78/366470978.db2.gz JNZMNKZIJHVPJC-ZDUSSCGKSA-N 0 3 271.364 2.149 20 30 CEEDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C#N)cc1 ZINC000345873905 283410067 /nfs/dbraw/zinc/41/00/67/283410067.db2.gz JFLFPOCZRXLTIJ-KCPJHIHWSA-N 0 3 271.364 2.124 20 30 CEEDHN CCC[C@H](C)[C@H](CO)NCc1ccc(C#N)c(OC)c1 ZINC000571216777 299298937 /nfs/dbraw/zinc/29/89/37/299298937.db2.gz YSSLORQIVGFUIE-WFASDCNBSA-N 0 3 276.380 2.454 20 30 CEEDHN C=CCOCCN1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 ZINC000338945283 366582260 /nfs/dbraw/zinc/58/22/60/366582260.db2.gz VGXYDYDZZVZRPN-LSDHHAIUSA-N 0 3 282.428 2.206 20 30 CEEDHN CCS(=O)(=O)CCCN[C@H](C)c1cccc(C#N)c1 ZINC000341794667 216109376 /nfs/dbraw/zinc/10/93/76/216109376.db2.gz ZVCCUAZNYUDVBR-GFCCVEGCSA-N 0 3 280.393 2.034 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000579241954 366615825 /nfs/dbraw/zinc/61/58/25/366615825.db2.gz GAFJOCADOSSWEW-CZUORRHYSA-N 0 3 288.391 2.052 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)c1cc(C#N)cs1 ZINC000178597264 189129792 /nfs/dbraw/zinc/12/97/92/189129792.db2.gz GAONESXBLNBVFV-UHFFFAOYSA-N 0 3 265.382 2.032 20 30 CEEDHN CCC#C[C@H](C)N1CCC(C(=O)NCCCC)CC1 ZINC000677478722 541018030 /nfs/dbraw/zinc/01/80/30/541018030.db2.gz CFLKHIHFDJOFSO-AWEZNQCLSA-N 0 3 264.413 2.417 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1CCCN(C)CC1 ZINC000180697506 189270584 /nfs/dbraw/zinc/27/05/84/189270584.db2.gz GMOUNCMQKGWSBC-UHFFFAOYSA-N 0 3 272.352 2.036 20 30 CEEDHN CN(CCCNC(=O)c1c[nH]c(C#N)c1)Cc1ccccc1 ZINC000181167067 189290176 /nfs/dbraw/zinc/29/01/76/189290176.db2.gz KTJDATAYYAPCOG-UHFFFAOYSA-N 0 3 296.374 2.138 20 30 CEEDHN C=C(C)[C@H](CO)N(CC)Cc1ccc2c(c1)OCO2 ZINC000677951819 541061477 /nfs/dbraw/zinc/06/14/77/541061477.db2.gz UJBOGAVRAIKYNI-ZDUSSCGKSA-N 0 3 263.337 2.174 20 30 CEEDHN COc1ccc(CN2CC[C@H](O)CC23CCC3)cc1C#N ZINC000581601341 366798494 /nfs/dbraw/zinc/79/84/94/366798494.db2.gz SSUJLWARHARMSH-HNNXBMFYSA-N 0 3 286.375 2.446 20 30 CEEDHN CC(=O)c1ccc(C#N)c(N2CC[C@H](N3CCCC3)C2)c1 ZINC000302034309 201309902 /nfs/dbraw/zinc/30/99/02/201309902.db2.gz OMVQCAQFMWUZRG-INIZCTEOSA-N 0 3 283.375 2.435 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000678894969 541188888 /nfs/dbraw/zinc/18/88/88/541188888.db2.gz JGNHRKXKGXZRBM-PBHICJAKSA-N 0 3 289.375 2.436 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(OC)cc1 ZINC000088218782 363883492 /nfs/dbraw/zinc/88/34/92/363883492.db2.gz LABZDZNGRWRMKZ-RYUDHWBXSA-N 0 3 262.353 2.037 20 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CC#CCN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000157726639 366847256 /nfs/dbraw/zinc/84/72/56/366847256.db2.gz CDCDYKHTIRVALX-UHFFFAOYSA-N 0 3 291.782 2.409 20 30 CEEDHN CC(C)(C)N1CC[C@H](N2CCC(CC#N)CC2)C1=O ZINC000335123653 364508656 /nfs/dbraw/zinc/50/86/56/364508656.db2.gz USZWQOCCFPSKAE-ZDUSSCGKSA-N 0 3 263.385 2.011 20 30 CEEDHN NC(=O)C[C@@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000158477043 366856805 /nfs/dbraw/zinc/85/68/05/366856805.db2.gz LYUFLZKTONQSCQ-HNNXBMFYSA-N 0 3 290.794 2.421 20 30 CEEDHN CCN(CCO)Cc1cccc(OCCCC#N)c1 ZINC000158657667 366858947 /nfs/dbraw/zinc/85/89/47/366858947.db2.gz VSIOQDWUBBFVLJ-UHFFFAOYSA-N 0 3 262.353 2.183 20 30 CEEDHN Cc1nc(C(C)(C)NC(=O)C(C)C#N)sc1C ZINC000335206513 364622813 /nfs/dbraw/zinc/62/28/13/364622813.db2.gz LMOVQZQDKLBQMT-SSDOTTSWSA-N 0 3 251.355 2.271 20 30 CEEDHN C=CC1CCN(CC(=O)N2CCC(C)CC2)CC1 ZINC000111257303 364726409 /nfs/dbraw/zinc/72/64/09/364726409.db2.gz VZCVMWOGZURXHK-UHFFFAOYSA-N 0 3 250.386 2.143 20 30 CEEDHN CN(C(=O)C1(c2cccc(C#N)c2)CC1)C1CCN(C)CC1 ZINC000335710483 364867894 /nfs/dbraw/zinc/86/78/94/364867894.db2.gz PBGBBEANFDFYHB-UHFFFAOYSA-N 0 3 297.402 2.142 20 30 CEEDHN COC[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000112989252 364865174 /nfs/dbraw/zinc/86/51/74/364865174.db2.gz JMCAKUJRLWXJIU-OAHLLOKOSA-N 0 3 274.364 2.295 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000680427307 541411727 /nfs/dbraw/zinc/41/17/27/541411727.db2.gz RVFSJJIWXUGCGO-LMWOUKEDSA-N 0 3 261.365 2.466 20 30 CEEDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cc(C#N)oc1C ZINC000572195166 299352202 /nfs/dbraw/zinc/35/22/02/299352202.db2.gz SAGIPZDBPKSUKQ-CYBMUJFWSA-N 0 3 289.379 2.406 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1sccc1C#N ZINC000115438686 365005134 /nfs/dbraw/zinc/00/51/34/365005134.db2.gz WEMHFIMRWVBGDY-LLVKDONJSA-N 0 3 277.393 2.034 20 30 CEEDHN C=CC[C@H](C)NC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000117038492 365088791 /nfs/dbraw/zinc/08/87/91/365088791.db2.gz LYFINUHZLGKHQN-HZSPNIEDSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000638875476 370813575 /nfs/dbraw/zinc/81/35/75/370813575.db2.gz VADQWCCEHUBDGK-QWHCGFSZSA-N 0 3 252.402 2.483 20 30 CEEDHN CC1(C)CN(CCOc2cccc(C#N)c2)CC[C@H]1O ZINC000275520672 193064815 /nfs/dbraw/zinc/06/48/15/193064815.db2.gz VCZKTEBSBVXKJB-OAHLLOKOSA-N 0 3 274.364 2.030 20 30 CEEDHN COc1cc(C#N)ccc1OCCN(C)[C@H]1CCSC1 ZINC000119949884 365349266 /nfs/dbraw/zinc/34/92/66/365349266.db2.gz ZLEGHIPRIMNCLU-ZDUSSCGKSA-N 0 3 292.404 2.383 20 30 CEEDHN CC(C)CO[C@@H]1CCN(CCCSCC#N)C1 ZINC000119958378 365351187 /nfs/dbraw/zinc/35/11/87/365351187.db2.gz QSWDPCBZFPPSBF-CYBMUJFWSA-N 0 3 256.415 2.380 20 30 CEEDHN CCCN(CCN1CCCCC1)c1ccnc(C#N)n1 ZINC000582251949 366886459 /nfs/dbraw/zinc/88/64/59/366886459.db2.gz OZBZICCHHHVDLX-UHFFFAOYSA-N 0 3 273.384 2.051 20 30 CEEDHN CN(C)CCOc1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1 ZINC000159186505 366886832 /nfs/dbraw/zinc/88/68/32/366886832.db2.gz YAMFALAMULYQBG-UHFFFAOYSA-N 0 3 298.346 2.079 20 30 CEEDHN C=CCCOCCNCc1c[nH]nc1-c1cccnc1 ZINC000120848537 365484605 /nfs/dbraw/zinc/48/46/05/365484605.db2.gz ALZCFCGIINHKNU-UHFFFAOYSA-N 0 3 272.352 2.154 20 30 CEEDHN C=CCCOCCNCc1cc2c(c(OC)c1)OCO2 ZINC000120886557 365490785 /nfs/dbraw/zinc/49/07/85/365490785.db2.gz OXVQWTWHMQPHJY-UHFFFAOYSA-N 0 3 279.336 2.106 20 30 CEEDHN C=C(Cl)COc1ccc([C@@H](C)NCCO)cc1 ZINC000159720917 366942886 /nfs/dbraw/zinc/94/28/86/366942886.db2.gz MXZCTDRNFCFRDO-LLVKDONJSA-N 0 3 255.745 2.461 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NCCCNCc1cccnc1 ZINC000582427572 366911776 /nfs/dbraw/zinc/91/17/76/366911776.db2.gz FSULQVSXKIWLOA-AWEZNQCLSA-N 0 3 275.396 2.280 20 30 CEEDHN CCC#C[C@H](C)N1CCOC2(CCOCC2)CC1 ZINC000681099699 541504768 /nfs/dbraw/zinc/50/47/68/541504768.db2.gz PQFRGDVHLIDSKR-AWEZNQCLSA-N 0 3 251.370 2.060 20 30 CEEDHN Cc1cc(CN2C[C@H](CO)C[C@H](C)C2)ccc1C#N ZINC000335557382 212263936 /nfs/dbraw/zinc/26/39/36/212263936.db2.gz VHACCBNAAQTKCF-SWLSCSKDSA-N 0 3 258.365 2.317 20 30 CEEDHN C[C@H](NC(=O)CCc1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000357934743 370841722 /nfs/dbraw/zinc/84/17/22/370841722.db2.gz HUSGDZMHTXXQNE-AWEZNQCLSA-N 0 3 297.402 2.257 20 30 CEEDHN C#CCCOc1ccc(CN2CCC(O)CC2)cc1 ZINC000162259084 367147975 /nfs/dbraw/zinc/14/79/75/367147975.db2.gz POAWJAQGEAXJAV-UHFFFAOYSA-N 0 3 259.349 2.045 20 30 CEEDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357533218 370821463 /nfs/dbraw/zinc/82/14/63/370821463.db2.gz KWIUIUTWLCAXIT-SMDDNHRTSA-N 0 3 288.351 2.243 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)CCCCCC#N ZINC000588360203 367191955 /nfs/dbraw/zinc/19/19/55/367191955.db2.gz DNWINDNNLBCWJF-CQSZACIVSA-N 0 3 265.401 2.451 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H](C)[C@@H]1CCOC1 ZINC000163106521 367217738 /nfs/dbraw/zinc/21/77/38/367217738.db2.gz KHMYJWMDJHUCRC-BXUZGUMPSA-N 0 3 260.337 2.081 20 30 CEEDHN C=CC[C@@H](CO)CNCc1ccn(-c2ccccc2)n1 ZINC000341259925 367251575 /nfs/dbraw/zinc/25/15/75/367251575.db2.gz MCRRNABJZUSHGU-CQSZACIVSA-N 0 3 271.364 2.147 20 30 CEEDHN COCCC[NH+]1CCC(/N=C/c2ccccc2[O-])CC1 ZINC000170696295 367399118 /nfs/dbraw/zinc/39/91/18/367399118.db2.gz PLYPMIMIGIPQEP-GHRIWEEISA-N 0 3 276.380 2.312 20 30 CEEDHN C=CCCN(C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000342380705 367404234 /nfs/dbraw/zinc/40/42/34/367404234.db2.gz JSQJYRAJCOUZLY-UHFFFAOYSA-N 0 3 275.396 2.466 20 30 CEEDHN C=CCCN(C)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000342432715 367408352 /nfs/dbraw/zinc/40/83/52/367408352.db2.gz DQDSYRILYYCYCA-OKILXGFUSA-N 0 3 267.417 2.467 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000342437522 367410259 /nfs/dbraw/zinc/41/02/59/367410259.db2.gz NJPMLUABKOGPAY-BFYDXBDKSA-N 0 3 294.439 2.300 20 30 CEEDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)N(CC)C[C@H](C)C#N ZINC000342680747 367480788 /nfs/dbraw/zinc/48/07/88/367480788.db2.gz VFHWWCLIJBJJBO-MGPQQGTHSA-N 0 3 265.401 2.115 20 30 CEEDHN C=CCN1CCC(NC(=O)CCCc2ccccn2)CC1 ZINC000171565986 367567959 /nfs/dbraw/zinc/56/79/59/367567959.db2.gz CUKJRNWLYUROFC-UHFFFAOYSA-N 0 3 287.407 2.171 20 30 CEEDHN C=CCOCCNCc1c[nH]nc1-c1ccsc1 ZINC000681981293 541614869 /nfs/dbraw/zinc/61/48/69/541614869.db2.gz KIKIQYGKRMZCDU-UHFFFAOYSA-N 0 3 263.366 2.430 20 30 CEEDHN C#CCOc1ccc(CNCCC(=O)N[C@H](C)CC)cc1 ZINC000172114331 367675922 /nfs/dbraw/zinc/67/59/22/367675922.db2.gz RJDUCHYAPMBKLV-CQSZACIVSA-N 0 3 288.391 2.093 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCCCCC#N ZINC000245829215 370877575 /nfs/dbraw/zinc/87/75/75/370877575.db2.gz QIZKLEPXBNJXLJ-KGLIPLIRSA-N 0 3 280.416 2.100 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638985732 370888194 /nfs/dbraw/zinc/88/81/94/370888194.db2.gz NDPJVRZKEWKWEF-ZDUSSCGKSA-N 0 3 288.395 2.032 20 30 CEEDHN COCCO[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000343774705 367996341 /nfs/dbraw/zinc/99/63/41/367996341.db2.gz VQBAICDMPVQYJS-QGZVFWFLSA-N 0 3 288.391 2.380 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCC(F)F)C(C)C ZINC000173927409 367962173 /nfs/dbraw/zinc/96/21/73/367962173.db2.gz ZJBHDGCVLHLDDU-GFCCVEGCSA-N 0 3 289.370 2.249 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)N[C@H]1CCCN(C)C1 ZINC000633080031 368047733 /nfs/dbraw/zinc/04/77/33/368047733.db2.gz AMUFSBQLZZUECB-ZDUSSCGKSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N(C)CCN1CCCC1 ZINC000343811430 368017243 /nfs/dbraw/zinc/01/72/43/368017243.db2.gz IMYZQGKKHZGKDG-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N(C)C[C@H]1CC=CCC1 ZINC000344067484 368105451 /nfs/dbraw/zinc/10/54/51/368105451.db2.gz PNKUCXIPXNUDPH-KBPBESRZSA-N 0 3 263.385 2.035 20 30 CEEDHN C[C@@H]1CC[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000343953543 368089100 /nfs/dbraw/zinc/08/91/00/368089100.db2.gz KMEWTGGXDFUFOR-DFBGVHRSSA-N 0 3 267.332 2.155 20 30 CEEDHN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)Cc1ccccc1 ZINC000175619626 368157935 /nfs/dbraw/zinc/15/79/35/368157935.db2.gz QBJSPAJSHSQVCM-CYBMUJFWSA-N 0 3 296.374 2.137 20 30 CEEDHN C=C1CC(C)(C(=O)NCCN2CCCC2(C)C)C1 ZINC000633366704 368214714 /nfs/dbraw/zinc/21/47/14/368214714.db2.gz BJUFYVIEKIQODY-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000682360270 541653290 /nfs/dbraw/zinc/65/32/90/541653290.db2.gz SZDLCHMPADFHHS-UKRRQHHQSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181162783 368427217 /nfs/dbraw/zinc/42/72/17/368427217.db2.gz SKTJAPVRTDZVMQ-LRDDRELGSA-N 0 3 258.365 2.120 20 30 CEEDHN CC[C@@H](NCC(=O)Nc1sccc1C#N)[C@@H]1CCCO1 ZINC000182334397 368553559 /nfs/dbraw/zinc/55/35/59/368553559.db2.gz PCKAUSINUOKSJJ-NEPJUHHUSA-N 0 3 293.392 2.105 20 30 CEEDHN C[C@H](NCCN1CCOC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000346148522 368562346 /nfs/dbraw/zinc/56/23/46/368562346.db2.gz WZALACCOWLMHNB-STQMWFEESA-N 0 3 291.370 2.069 20 30 CEEDHN CCN1C[C@H](C)N(Cc2cc(C#N)ccc2OC)C[C@@H]1C ZINC000346224638 368599028 /nfs/dbraw/zinc/59/90/28/368599028.db2.gz YXCFLVWUOFQDSF-KBPBESRZSA-N 0 3 287.407 2.481 20 30 CEEDHN C[C@H](C[S@@](C)=O)NCc1cccc(OCCCC#N)c1 ZINC000184262050 368682688 /nfs/dbraw/zinc/68/26/88/368682688.db2.gz WNYWNKZZIHXEDW-ZUOKHONESA-N 0 3 294.420 2.226 20 30 CEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(C#N)cs1 ZINC000246216289 370929386 /nfs/dbraw/zinc/92/93/86/370929386.db2.gz ZAMXOQYEWRYEJS-RYUDHWBXSA-N 0 3 291.420 2.470 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000348027177 368863529 /nfs/dbraw/zinc/86/35/29/368863529.db2.gz BICBTYXTUBREQE-RYUDHWBXSA-N 0 3 268.320 2.209 20 30 CEEDHN C=CCOCCCN1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000348029046 368864445 /nfs/dbraw/zinc/86/44/45/368864445.db2.gz HMCSEMRYVSAZMP-UHFFFAOYSA-N 0 3 294.439 2.446 20 30 CEEDHN C=CCOCCCN[C@H](CO)c1ccc(F)cc1 ZINC000348027724 368864727 /nfs/dbraw/zinc/86/47/27/368864727.db2.gz GBHNLECZKONUSP-CQSZACIVSA-N 0 3 253.317 2.041 20 30 CEEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000185813751 368866514 /nfs/dbraw/zinc/86/65/14/368866514.db2.gz MJJSPDHRHDSSCV-OFQRWUPVSA-N 0 3 283.375 2.464 20 30 CEEDHN C=C(CC)CN(C)C[C@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000348112454 368902655 /nfs/dbraw/zinc/90/26/55/368902655.db2.gz FWNRNDFVXVCGTD-GOEBONIOSA-N 0 3 294.418 2.231 20 30 CEEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)c1cccc(C#N)c1 ZINC000348154262 368923844 /nfs/dbraw/zinc/92/38/44/368923844.db2.gz AEHFOXVASSVVGU-DFBGVHRSSA-N 0 3 271.364 2.124 20 30 CEEDHN C=CC1CCN(CCc2nnnn2-c2ccccc2)CC1 ZINC000348189307 368942007 /nfs/dbraw/zinc/94/20/07/368942007.db2.gz QAVISVGWVCANFJ-UHFFFAOYSA-N 0 3 283.379 2.103 20 30 CEEDHN CSCCN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348325660 369004573 /nfs/dbraw/zinc/00/45/73/369004573.db2.gz ULLZAAMEIJYUEW-AWEZNQCLSA-N 0 3 287.388 2.062 20 30 CEEDHN CC1(CO)CCN(CCOc2ccccc2C#N)CC1 ZINC000186938317 369071592 /nfs/dbraw/zinc/07/15/92/369071592.db2.gz FYDNQSUFYKYIHL-UHFFFAOYSA-N 0 3 274.364 2.031 20 30 CEEDHN C=CCNC(=O)CN[C@H]1CCC[C@H]1OCc1ccccc1 ZINC000348530326 369072217 /nfs/dbraw/zinc/07/22/17/369072217.db2.gz LPQONJNKWSZOIK-JKSUJKDBSA-N 0 3 288.391 2.016 20 30 CEEDHN CC(C)[C@H]1CN(C)CCN1Cc1cc(C#N)ccc1F ZINC000348574909 369094194 /nfs/dbraw/zinc/09/41/94/369094194.db2.gz HJXYYGLUWDCPHK-MRXNPFEDSA-N 0 3 275.371 2.469 20 30 CEEDHN CCOC[C@H](N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C(C)C ZINC000348476037 369056854 /nfs/dbraw/zinc/05/68/54/369056854.db2.gz FWMUQPRNEOZZEZ-DZKIICNBSA-N 0 3 297.443 2.080 20 30 CEEDHN CC[C@]1(CO)CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000187572057 369181615 /nfs/dbraw/zinc/18/16/15/369181615.db2.gz NIQDIDCFVCDNRN-IRXDYDNUSA-N 0 3 288.391 2.076 20 30 CEEDHN N#Cc1ccc(OC[C@H](O)CN2CC(C3CCC3)C2)cc1 ZINC000348977035 369213228 /nfs/dbraw/zinc/21/32/28/369213228.db2.gz TWPDUQITEOXTRL-MRXNPFEDSA-N 0 3 286.375 2.030 20 30 CEEDHN N#Cc1ccc(OC[C@@H](O)CN2CC(C3CCC3)C2)cc1 ZINC000348977032 369213401 /nfs/dbraw/zinc/21/34/01/369213401.db2.gz TWPDUQITEOXTRL-INIZCTEOSA-N 0 3 286.375 2.030 20 30 CEEDHN COCCOc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000349814690 369408044 /nfs/dbraw/zinc/40/80/44/369408044.db2.gz VPYRUOWHBMNDLV-UKRRQHHQSA-N 0 3 274.364 2.494 20 30 CEEDHN COc1ccc(OC)c(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000349819498 369411020 /nfs/dbraw/zinc/41/10/20/369411020.db2.gz BDIQGCYQMFFZAQ-DGCLKSJQSA-N 0 3 260.337 2.486 20 30 CEEDHN C#CCCOc1ccc(CN[C@H]2C[C@H](O)C2(C)C)cc1 ZINC000189339598 369500206 /nfs/dbraw/zinc/50/02/06/369500206.db2.gz AJQHTJNHOOWJCU-HOTGVXAUSA-N 0 3 273.376 2.338 20 30 CEEDHN CC[C@]1(CO)CCCN1Cc1ccc(F)c(C#N)c1 ZINC000189621417 369548217 /nfs/dbraw/zinc/54/82/17/369548217.db2.gz YCIXETKIWFUDNL-OAHLLOKOSA-N 0 3 262.328 2.434 20 30 CEEDHN CCS[C@H]1CCCCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000246680845 370992473 /nfs/dbraw/zinc/99/24/73/370992473.db2.gz VLCOFNNAHDJSGR-KGLIPLIRSA-N 0 3 297.468 2.355 20 30 CEEDHN C=CCCN(C)[C@@H](C)C(=O)NCc1cccs1 ZINC000276332807 193291048 /nfs/dbraw/zinc/29/10/48/193291048.db2.gz BLGSMXBWPJIFHF-NSHDSACASA-N 0 3 252.383 2.261 20 30 CEEDHN COc1ccc(C#N)cc1CN(CC(C)(C)O)C1CC1 ZINC000189955825 369583432 /nfs/dbraw/zinc/58/34/32/369583432.db2.gz FKPFRXNZZDSHMC-UHFFFAOYSA-N 0 3 274.364 2.302 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC(C(=O)OC(C)(C)C)CC1 ZINC000351546437 369640253 /nfs/dbraw/zinc/64/02/53/369640253.db2.gz VBLUVTANGIYOHO-CQSZACIVSA-N 0 3 283.412 2.367 20 30 CEEDHN C[C@H]1CSCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000190430250 369623799 /nfs/dbraw/zinc/62/37/99/369623799.db2.gz JZPILRLBFCSEBC-DOMZBBRYSA-N 0 3 276.405 2.277 20 30 CEEDHN C=CCCN(C)Cc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000276495999 193356482 /nfs/dbraw/zinc/35/64/82/193356482.db2.gz VQAVVHODJIWRSH-UHFFFAOYSA-N 0 3 291.347 2.268 20 30 CEEDHN C=CCCN(C)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000276513820 193363013 /nfs/dbraw/zinc/36/30/13/193363013.db2.gz XYGQGOCINRDPMG-ZDUSSCGKSA-N 0 3 278.371 2.381 20 30 CEEDHN Cn1cc(CN2CC[C@H](CNc3ccccn3)C2)cc1C#N ZINC000191304590 369700420 /nfs/dbraw/zinc/70/04/20/369700420.db2.gz VIUGSEVPWHFUBA-CQSZACIVSA-N 0 3 295.390 2.226 20 30 CEEDHN Cn1cc(CNC[C@H]2COC3(CCCCC3)O2)cc1C#N ZINC000191559145 369723215 /nfs/dbraw/zinc/72/32/15/369723215.db2.gz CWLSFBAEOCCECV-HNNXBMFYSA-N 0 3 289.379 2.062 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@]1(CO)CC(C)C ZINC000191641284 369730046 /nfs/dbraw/zinc/73/00/46/369730046.db2.gz HWACYLGLLISQDH-QGZVFWFLSA-N 0 3 294.439 2.060 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H]1CSC[C@H]1C ZINC000352817187 369893757 /nfs/dbraw/zinc/89/37/57/369893757.db2.gz QEIBCHVVDHOBMY-ZWNOBZJWSA-N 0 3 262.378 2.408 20 30 CEEDHN C[C@H](CNCc1nc(C#N)cs1)N1CCCC[C@H]1C ZINC000352820912 369895090 /nfs/dbraw/zinc/89/50/90/369895090.db2.gz DYQJNJHKBUBKKQ-VXGBXAGGSA-N 0 3 278.425 2.367 20 30 CEEDHN C=CCN1CC[C@@H](N[C@H](CC)CC(F)(F)F)C1=O ZINC000352824085 369897691 /nfs/dbraw/zinc/89/76/91/369897691.db2.gz FSKBAVWRRQKTPU-NXEZZACHSA-N 0 3 264.291 2.094 20 30 CEEDHN N#Cc1cn(CCN2CCCCC2)c2ccccc2c1=O ZINC000193490286 369947017 /nfs/dbraw/zinc/94/70/17/369947017.db2.gz PSJBYQZZECODQG-UHFFFAOYSA-N 0 3 281.359 2.359 20 30 CEEDHN N#Cc1ncn(CCNCc2ccc(-c3ccccc3)o2)n1 ZINC000353046150 369999931 /nfs/dbraw/zinc/99/99/31/369999931.db2.gz JXIVBBLNTNXWKJ-UHFFFAOYSA-N 0 3 293.330 2.200 20 30 CEEDHN N#Cc1ccc(OCCN2CC[C@@H](COC(F)F)C2)cc1 ZINC000353027164 369990283 /nfs/dbraw/zinc/99/02/83/369990283.db2.gz WYCXGBIBZVTCIM-CYBMUJFWSA-N 0 3 296.317 2.498 20 30 CEEDHN CC1(C)CN(CCN[C@@H]2CCc3ccc(C#N)cc32)CCO1 ZINC000353379887 370110674 /nfs/dbraw/zinc/11/06/74/370110674.db2.gz ABQGGENUUDXRDS-QGZVFWFLSA-N 0 3 299.418 2.246 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)C(=O)C1CCN(C2CC2)CC1 ZINC000195338483 370125765 /nfs/dbraw/zinc/12/57/65/370125765.db2.gz HYNBQIXIVXQRGH-UHFFFAOYSA-N 0 3 297.402 2.391 20 30 CEEDHN CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)C(C)C#N ZINC000353837733 370126422 /nfs/dbraw/zinc/12/64/22/370126422.db2.gz VBBJMHRAHCMITO-NSHDSACASA-N 0 3 291.326 2.161 20 30 CEEDHN CS(=O)(=O)C1(CN[C@@H]2CCC[C@H](C#N)C2)CCCC1 ZINC000353948694 370150239 /nfs/dbraw/zinc/15/02/39/370150239.db2.gz WMZRSUSNUFKWHG-QWHCGFSZSA-N 0 3 284.425 2.016 20 30 CEEDHN CC(C)N(CC(=O)NCc1ccc(C#N)cc1)C1CCC1 ZINC000354219705 370265248 /nfs/dbraw/zinc/26/52/48/370265248.db2.gz DSUJWSQHZKYANL-UHFFFAOYSA-N 0 3 285.391 2.437 20 30 CEEDHN C=CCSCCNCc1ccc2c(c1)NC(=O)CO2 ZINC000231930800 370498370 /nfs/dbraw/zinc/49/83/70/370498370.db2.gz UFDCJUPDZKXXLV-UHFFFAOYSA-N 0 3 278.377 2.026 20 30 CEEDHN COc1cc(CNCCOCC2CC2)ccc1C#N ZINC000234910109 370549354 /nfs/dbraw/zinc/54/93/54/370549354.db2.gz QJFQGXRCODCHIT-UHFFFAOYSA-N 0 3 260.337 2.083 20 30 CEEDHN CCNC(=O)CN(CC)CCCCC(C)(C)C#N ZINC000233484332 370520816 /nfs/dbraw/zinc/52/08/16/370520816.db2.gz CACVUYFRVNWHRK-UHFFFAOYSA-N 0 3 253.390 2.164 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000355480672 370569667 /nfs/dbraw/zinc/56/96/67/370569667.db2.gz QMBVUBITLROTPH-WFASDCNBSA-N 0 3 265.401 2.163 20 30 CEEDHN N#Cc1ccc(CN(CCO)[C@H]2CCCSC2)cc1 ZINC000355492742 370574179 /nfs/dbraw/zinc/57/41/79/370574179.db2.gz HZRNFJPHWXXBOE-HNNXBMFYSA-N 0 3 276.405 2.248 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000355515818 370583411 /nfs/dbraw/zinc/58/34/11/370583411.db2.gz OJNPDVPXFDAISF-CQSZACIVSA-N 0 3 286.375 2.480 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H]1C[C@H](C)O ZINC000246806123 371013002 /nfs/dbraw/zinc/01/30/02/371013002.db2.gz SZAJJQYIIKWJKW-KKUMJFAQSA-N 0 3 282.428 2.035 20 30 CEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cccc(CC#N)c1 ZINC000247270447 371086405 /nfs/dbraw/zinc/08/64/05/371086405.db2.gz FMIMITYXGCDBKJ-XJKSGUPXSA-N 0 3 285.391 2.165 20 30 CEEDHN C[C@@H](NC[C@H]1CCCN1C)c1ccc(C#N)cc1F ZINC000358569996 371122533 /nfs/dbraw/zinc/12/25/33/371122533.db2.gz MZUOLHGVBOFWIM-DGCLKSJQSA-N 0 3 261.344 2.442 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CCC[C@H]2CCC[C@H]21)C1CC1 ZINC000247550891 371124487 /nfs/dbraw/zinc/12/44/87/371124487.db2.gz PXSYTIIVHMOMBY-XNRPHZJLSA-N 0 3 275.396 2.059 20 30 CEEDHN COCC[C@](C)(O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358588477 371128251 /nfs/dbraw/zinc/12/82/51/371128251.db2.gz LVDAPAXHPFHDMT-ABAIWWIYSA-N 0 3 280.343 2.135 20 30 CEEDHN C=CCC1(NCc2snnc2C)CCOCC1 ZINC000639315767 371221960 /nfs/dbraw/zinc/22/19/60/371221960.db2.gz UAOOUEOWGZEQPS-UHFFFAOYSA-N 0 3 253.371 2.061 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000639572116 371413383 /nfs/dbraw/zinc/41/33/83/371413383.db2.gz MVJDAWKNGOHLLO-DOTOQJQBSA-N 0 3 293.407 2.222 20 30 CEEDHN CCCN(CCN1CCCC1)C(=O)CCCC#N ZINC000360612257 371521397 /nfs/dbraw/zinc/52/13/97/371521397.db2.gz PDWLQVLVUHBWJV-UHFFFAOYSA-N 0 3 251.374 2.015 20 30 CEEDHN C=CCCn1cc(CN2CCN(C)[C@H](C(C)(C)C)C2)nn1 ZINC000639745091 371533894 /nfs/dbraw/zinc/53/38/94/371533894.db2.gz BZXOUTHVUVLIIE-HNNXBMFYSA-N 0 3 291.443 2.016 20 30 CEEDHN C=CCN(Cc1ccc2oc(=O)n(C)c2c1)[C@H](C)COC ZINC000639784212 371566648 /nfs/dbraw/zinc/56/66/48/371566648.db2.gz AMWFNYHTFLUISK-GFCCVEGCSA-N 0 3 290.363 2.154 20 30 CEEDHN C=CC[C@@H]1CCCN([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000639798281 371579397 /nfs/dbraw/zinc/57/93/97/371579397.db2.gz BOTCSBQZUOAHCP-UKRRQHHQSA-N 0 3 262.397 2.428 20 30 CEEDHN COCCC1(CNC(=O)C(C)C#N)CCCCC1 ZINC000361126845 371667026 /nfs/dbraw/zinc/66/70/26/371667026.db2.gz FEVVUMMFTNXHPH-LBPRGKRZSA-N 0 3 252.358 2.249 20 30 CEEDHN Cc1nnc2n1C[C@H](N[C@@H](C)c1ccc(C#N)s1)CC2 ZINC000361123149 371663387 /nfs/dbraw/zinc/66/33/87/371663387.db2.gz FFEZFUMYOUOPNA-GXSJLCMTSA-N 0 3 287.392 2.185 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2C2CC2)CC1 ZINC000361286456 371760597 /nfs/dbraw/zinc/76/05/97/371760597.db2.gz FRBRGXGWFWHMNH-OAHLLOKOSA-N 0 3 277.412 2.221 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](C(C)(C)C)C1 ZINC000361526893 371898821 /nfs/dbraw/zinc/89/88/21/371898821.db2.gz QHYNETHRXPIMGK-OLZOCXBDSA-N 0 3 295.427 2.145 20 30 CEEDHN CCN(CCOc1ccc(C#N)cc1OC)[C@@H]1CCOC1 ZINC000361591556 371958430 /nfs/dbraw/zinc/95/84/30/371958430.db2.gz OEFWYULYIUXSIP-CQSZACIVSA-N 0 3 290.363 2.056 20 30 CEEDHN C[C@@H]1CCN(CCC#N)CCN1Cc1ccccc1 ZINC000266623180 372049442 /nfs/dbraw/zinc/04/94/42/372049442.db2.gz TWWFSOCSFKLSFW-OAHLLOKOSA-N 0 3 257.381 2.496 20 30 CEEDHN CS[C@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1N(C)C ZINC000361864587 372105654 /nfs/dbraw/zinc/10/56/54/372105654.db2.gz BNAPGOGIXZCFFA-CABCVRRESA-N 0 3 293.411 2.175 20 30 CEEDHN Cc1cc(NC(=O)CCCC#N)n(C2CCN(C)CC2)n1 ZINC000361886146 372114253 /nfs/dbraw/zinc/11/42/53/372114253.db2.gz VKXNQGCVLFFSFY-UHFFFAOYSA-N 0 3 289.383 2.091 20 30 CEEDHN C=CCC[C@@H](O)CN1CCCN(c2ccccc2C#N)CC1 ZINC000268584220 372143883 /nfs/dbraw/zinc/14/38/83/372143883.db2.gz UKXLHSIFUYQEBD-QGZVFWFLSA-N 0 3 299.418 2.397 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccccc1OC(F)F ZINC000268791660 372224421 /nfs/dbraw/zinc/22/44/21/372224421.db2.gz GODPZQBARYFZMC-NSHDSACASA-N 0 3 296.317 2.078 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CC[C@H](CO)CC2)c(F)c1 ZINC000269418356 372445229 /nfs/dbraw/zinc/44/52/29/372445229.db2.gz KWOGHZHYJGZXNJ-YEORSEQZSA-N 0 3 262.328 2.338 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cnc(CC(C)C)s1 ZINC000641767641 372706150 /nfs/dbraw/zinc/70/61/50/372706150.db2.gz NEVBMGZVSOAJHD-LBPRGKRZSA-N 0 3 266.410 2.206 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc(OC(F)F)cc1 ZINC000641768718 372709736 /nfs/dbraw/zinc/70/97/36/372709736.db2.gz GMPDOPUMTBJRAM-LBPRGKRZSA-N 0 3 269.291 2.152 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccnc2ccccc12 ZINC000641769033 372710451 /nfs/dbraw/zinc/71/04/51/372710451.db2.gz OHWPCKGDMUZDJG-CQSZACIVSA-N 0 3 254.333 2.099 20 30 CEEDHN C[C@@]1(CO)CCC[C@H]1NCc1ccc(C#N)s1 ZINC000344573865 217236241 /nfs/dbraw/zinc/23/62/41/217236241.db2.gz DCPGBYWWQJQXDK-OLZOCXBDSA-N 0 3 250.367 2.260 20 30 CEEDHN Cc1n[nH]c(C)c1CNCCOc1ccc(C#N)cc1 ZINC000344582656 217238791 /nfs/dbraw/zinc/23/87/91/217238791.db2.gz SGHHZOWOSPOKEJ-UHFFFAOYSA-N 0 3 270.336 2.067 20 30 CEEDHN Cc1ccc([O-])c(C[NH2+]CCOc2ccc(C#N)cc2)n1 ZINC000344597019 217244536 /nfs/dbraw/zinc/24/45/36/217244536.db2.gz YIHGOOJKGAVTRF-UHFFFAOYSA-N 0 3 283.331 2.136 20 30 CEEDHN CN(C(=O)C(C#N)CCc1ccccc1)[C@@H]1CCC[C@H]1O ZINC000574422549 335018765 /nfs/dbraw/zinc/01/87/65/335018765.db2.gz LPLAEAWLXJRAOS-BZUAXINKSA-N 0 3 286.375 2.131 20 30 CEEDHN CCCN(CC)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000270751574 372934133 /nfs/dbraw/zinc/93/41/33/372934133.db2.gz JYSWKYCCVCQFGV-OAHLLOKOSA-N 0 3 271.364 2.395 20 30 CEEDHN C=CCCCCCN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000365855964 372948826 /nfs/dbraw/zinc/94/88/26/372948826.db2.gz XORXMBXPLCEEMZ-JKSUJKDBSA-N 0 3 266.429 2.264 20 30 CEEDHN C#CCCCN1CCN(c2ncnc3sccc32)CC1 ZINC000270998804 373056358 /nfs/dbraw/zinc/05/63/58/373056358.db2.gz FWDGUTGBMCWSTM-UHFFFAOYSA-N 0 3 286.404 2.227 20 30 CEEDHN CS[C@H](CO)[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271937707 373225516 /nfs/dbraw/zinc/22/55/16/373225516.db2.gz KOBAFTABDFSMAL-PKFCDNJMSA-N 0 3 282.384 2.460 20 30 CEEDHN C=CCn1cc(CNC[C@H]2CCOc3ccccc32)nn1 ZINC000643794363 373267486 /nfs/dbraw/zinc/26/74/86/373267486.db2.gz DNIQPOJGQUXTLL-CYBMUJFWSA-N 0 3 284.363 2.120 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@@H](O)COC(C)C ZINC000272287787 373410096 /nfs/dbraw/zinc/41/00/96/373410096.db2.gz NREQJPLTLIMTJB-CQSZACIVSA-N 0 3 267.369 2.096 20 30 CEEDHN C[C@H]1CCCN(CCNc2nc3ccccn3c2C#N)C1 ZINC000272945375 373726428 /nfs/dbraw/zinc/72/64/28/373726428.db2.gz WLEGJTHYWZGHSM-ZDUSSCGKSA-N 0 3 283.379 2.350 20 30 CEEDHN COC(=O)[C@H](C)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000370743610 373734082 /nfs/dbraw/zinc/73/40/82/373734082.db2.gz XFBFQYJPUNLXPT-CYBMUJFWSA-N 0 3 284.359 2.456 20 30 CEEDHN C#CCN(Cc1ccc(-n2ccnc2)cc1)C1CC1 ZINC000274200121 373839515 /nfs/dbraw/zinc/83/95/15/373839515.db2.gz RKQDUFXUGLWFQN-UHFFFAOYSA-N 0 3 251.333 2.470 20 30 CEEDHN C=CCOCCN1CC[C@H](Oc2cccc(F)c2)C1 ZINC000645114785 373860990 /nfs/dbraw/zinc/86/09/90/373860990.db2.gz FWHUQHOWFFZAFJ-HNNXBMFYSA-N 0 3 265.328 2.481 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H](CO)C1CCCC1 ZINC000289522646 197388419 /nfs/dbraw/zinc/38/84/19/197388419.db2.gz MLENLFMNENJPEA-HNNXBMFYSA-N 0 3 274.364 2.208 20 30 CEEDHN C=C(C)CCN[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000274840051 374067487 /nfs/dbraw/zinc/06/74/87/374067487.db2.gz OHNOGZTYEMCQIU-CQSZACIVSA-N 0 3 267.394 2.328 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)Nc3cccc(C#N)c3)C[C@@H]21 ZINC000373189376 374286449 /nfs/dbraw/zinc/28/64/49/374286449.db2.gz CHJMEAPWLJTHQC-ZFWWWQNUSA-N 0 3 284.363 2.116 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1CCCC[C@@H]1OC ZINC000276903053 374341934 /nfs/dbraw/zinc/34/19/34/374341934.db2.gz DQFUVEPUKUOAIN-KKUMJFAQSA-N 0 3 280.412 2.123 20 30 CEEDHN C[C@@H]1CN(C2CCN(Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000373920768 374449170 /nfs/dbraw/zinc/44/91/70/374449170.db2.gz GZYKBNCQVIMOIS-OAHLLOKOSA-N 0 3 299.418 2.243 20 30 CEEDHN N#Cc1cccnc1NC[C@@H]1CCCCN1C1CC1 ZINC000277407237 374508336 /nfs/dbraw/zinc/50/83/36/374508336.db2.gz KKTJUMCGRLAUQK-AWEZNQCLSA-N 0 3 256.353 2.382 20 30 CEEDHN C=CCN1CCC(Nc2cc(N3CCCC3)ncn2)CC1 ZINC000277464510 374529823 /nfs/dbraw/zinc/52/98/23/374529823.db2.gz OIGSKGMFYRGOSR-UHFFFAOYSA-N 0 3 287.411 2.139 20 30 CEEDHN N#CCCCN1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000374556231 374600337 /nfs/dbraw/zinc/60/03/37/374600337.db2.gz KDYLPPDPMSCJEB-CYBMUJFWSA-N 0 3 275.352 2.025 20 30 CEEDHN COC(=O)[C@@]1(C(F)(F)F)CCN(CCCCC#N)C1 ZINC000375739455 374672907 /nfs/dbraw/zinc/67/29/07/374672907.db2.gz AETLBBUMSZXWRP-LLVKDONJSA-N 0 3 278.274 2.108 20 30 CEEDHN N#Cc1ccccc1N1CCN(C[C@H]2CCSC2)CC1 ZINC000278366845 374794141 /nfs/dbraw/zinc/79/41/41/374794141.db2.gz BJFIDFIOQJXRKZ-CQSZACIVSA-N 0 3 287.432 2.433 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NCCN1CCCC[C@H]1C ZINC000280478275 375214871 /nfs/dbraw/zinc/21/48/71/375214871.db2.gz ADPWCGHQXAYMGE-LLVKDONJSA-N 0 3 275.352 2.064 20 30 CEEDHN CC1(C)CN(CCOc2ccccc2C#N)[C@@H]2COC[C@@H]21 ZINC000384860519 375219174 /nfs/dbraw/zinc/21/91/74/375219174.db2.gz JYCLXBJXXSTFBH-LSDHHAIUSA-N 0 3 286.375 2.294 20 30 CEEDHN C#CCOc1ccc(CNCC2([S@@](C)=O)CCC2)cc1 ZINC000280696241 375287438 /nfs/dbraw/zinc/28/74/38/375287438.db2.gz SABVYPYFPLBPBW-HXUWFJFHSA-N 0 3 291.416 2.089 20 30 CEEDHN CN(CCNC(=O)c1ccc(C#N)o1)Cc1ccccc1 ZINC000386641182 375264309 /nfs/dbraw/zinc/26/43/09/375264309.db2.gz INGFEEOWDOJYTC-UHFFFAOYSA-N 0 3 283.331 2.013 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000407993971 375392109 /nfs/dbraw/zinc/39/21/09/375392109.db2.gz XEDKKNZHWIXWRP-DGCLKSJQSA-N 0 3 289.339 2.120 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(SC)cc1 ZINC000280988623 375347820 /nfs/dbraw/zinc/34/78/20/375347820.db2.gz IWWLOIAEIVHFHQ-NWDGAFQWSA-N 0 3 276.405 2.197 20 30 CEEDHN C=CCN1CC[C@@H](N[C@H](C)c2ccc(C)cc2)C1=O ZINC000281230992 375366322 /nfs/dbraw/zinc/36/63/22/375366322.db2.gz OYZFJEVXXJLILC-UKRRQHHQSA-N 0 3 258.365 2.433 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NCCN(C)Cc1ccccc1 ZINC000284994385 375833249 /nfs/dbraw/zinc/83/32/49/375833249.db2.gz BSAZTFMNGWRNJF-MRXNPFEDSA-N 0 3 273.380 2.174 20 30 CEEDHN CCN1CCN(Cc2ccc(C#N)cc2OC)[C@@H](C)C1 ZINC000286451763 375957346 /nfs/dbraw/zinc/95/73/46/375957346.db2.gz JWLYMVPGEFFDRO-ZDUSSCGKSA-N 0 3 273.380 2.093 20 30 CEEDHN N#Cc1cc(N2CCN(C3CCCCC3)CC2)ccn1 ZINC000286398509 375940475 /nfs/dbraw/zinc/94/04/75/375940475.db2.gz ZKENZSLJLQCJDN-UHFFFAOYSA-N 0 3 270.380 2.408 20 30 CEEDHN C[C@@H](CN(C)C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000286958831 376113990 /nfs/dbraw/zinc/11/39/90/376113990.db2.gz ARJZRLNLCLTRBG-NSHDSACASA-N 0 3 291.399 2.186 20 30 CEEDHN CC[C@H](C)N(CCO)Cc1ccc(F)c(C#N)c1 ZINC000287593048 376269262 /nfs/dbraw/zinc/26/92/62/376269262.db2.gz YIVRSERFQJJYDO-NSHDSACASA-N 0 3 250.317 2.290 20 30 CEEDHN C#Cc1ccc(CN2CCC(N(C)C(C)=O)CC2)cc1 ZINC000289437052 376394748 /nfs/dbraw/zinc/39/47/48/376394748.db2.gz WEUSWKBFQLAARS-UHFFFAOYSA-N 0 3 270.376 2.111 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCc3c[nH]nc3C2)c(F)c1 ZINC000334281403 206304614 /nfs/dbraw/zinc/30/46/14/206304614.db2.gz SHXFNKPOCODJNU-ZDUSSCGKSA-N 0 3 270.311 2.068 20 30 CEEDHN CSC[C@@H](CCO)N[C@H](C)c1cccc(C#N)c1 ZINC000305795609 376492723 /nfs/dbraw/zinc/49/27/23/376492723.db2.gz VHTNNSIQDRMCHA-BXUZGUMPSA-N 0 3 264.394 2.323 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@@H]2C1 ZINC000334302660 206337169 /nfs/dbraw/zinc/33/71/69/206337169.db2.gz CPJIYUFXLTUYSJ-DLBZAZTESA-N 0 3 297.402 2.043 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2F)[C@@H](C)CN1C ZINC000334322485 206368175 /nfs/dbraw/zinc/36/81/75/206368175.db2.gz YBTNPDDBXYJTPN-NEPJUHHUSA-N 0 3 261.344 2.222 20 30 CEEDHN N#Cc1nccc(N[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000310014892 376612498 /nfs/dbraw/zinc/61/24/98/376612498.db2.gz MYWUPVDONGJRHR-OAHLLOKOSA-N 0 3 293.374 2.425 20 30 CEEDHN C[C@@H]1CN(c2cc(Br)c(C#N)cc2F)CCN1 ZINC000310153033 376614651 /nfs/dbraw/zinc/61/46/51/376614651.db2.gz NOQCFZHSBRCXBA-MRVPVSSYSA-N 0 3 298.159 2.258 20 30 CEEDHN C=C1CCN(C(=O)c2ccccc2OCCN(C)C)CC1 ZINC000264437273 190109487 /nfs/dbraw/zinc/10/94/87/190109487.db2.gz BDUJRUHADJRDOC-UHFFFAOYSA-N 0 3 288.391 2.419 20 30 CEEDHN Cc1cnn([C@H]2CCN(C[C@H](O)c3ccc(C#N)cc3)C2)c1 ZINC000290082794 376634846 /nfs/dbraw/zinc/63/48/46/376634846.db2.gz ZBWRLTHZPKNVSS-IRXDYDNUSA-N 0 3 296.374 2.044 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CC(=O)NCc1ccc(C#N)cc1 ZINC000264548043 190117723 /nfs/dbraw/zinc/11/77/23/190117723.db2.gz KIFDZEMPWDGJDZ-KBPBESRZSA-N 0 3 285.391 2.437 20 30 CEEDHN CC[C@H](C)N(CCO)Cc1cc(C#N)ccc1OC ZINC000311811517 376689155 /nfs/dbraw/zinc/68/91/55/376689155.db2.gz GQLUWIJMTNRVSP-LBPRGKRZSA-N 0 3 262.353 2.160 20 30 CEEDHN C#Cc1ccc(CN2CCCC[C@H]2COC(=O)NC)cc1 ZINC000290229555 376696505 /nfs/dbraw/zinc/69/65/05/376696505.db2.gz SRCASEJXQSGDGD-INIZCTEOSA-N 0 3 286.375 2.378 20 30 CEEDHN C=C1CCN(C[C@@H](O)COCc2cccc(OC)c2)CC1 ZINC000264504391 190114625 /nfs/dbraw/zinc/11/46/25/190114625.db2.gz DDPKOIXANJHRDH-MRXNPFEDSA-N 0 3 291.391 2.225 20 30 CEEDHN C[C@@H]1C[C@H](N2CCN([C@H](C#N)c3ccccc3)CC2)CCO1 ZINC000420929209 376743545 /nfs/dbraw/zinc/74/35/45/376743545.db2.gz CORBNYYUVGFJSM-KBAYOESNSA-N 0 3 299.418 2.436 20 30 CEEDHN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(CCOCCC#N)C1 ZINC000421026014 376790716 /nfs/dbraw/zinc/79/07/16/376790716.db2.gz RNJHJUTZJQBRSI-ZIAGYGMSSA-N 0 3 296.411 2.216 20 30 CEEDHN COC1([C@H](C)NCc2ccccc2C#N)CCOCC1 ZINC000421029769 376790560 /nfs/dbraw/zinc/79/05/60/376790560.db2.gz IQXNGVQXRTWSLT-ZDUSSCGKSA-N 0 3 274.364 2.232 20 30 CEEDHN Cc1ocnc1CNC(=O)C1CCN(C2CC2)CC1 ZINC000328777220 376897715 /nfs/dbraw/zinc/89/77/15/376897715.db2.gz SUJYOXWSNNHWHW-UHFFFAOYSA-N 0 3 263.341 2.314 20 30 CEEDHN COc1ccccc1OCCN[C@@H]1CC[C@@H](C#N)C1 ZINC000562462610 376899703 /nfs/dbraw/zinc/89/97/03/376899703.db2.gz ZACNBSGLWAJNMO-CHWSQXEVSA-N 0 3 260.337 2.356 20 30 CEEDHN O=C(N[C@@H]1CCCC[C@H]1O)C1CCN(C2CC2)CC1 ZINC000328743313 376889394 /nfs/dbraw/zinc/88/93/94/376889394.db2.gz JZMWBAVPNXJHJK-ZIAGYGMSSA-N 0 3 266.385 2.121 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC000328764432 376893101 /nfs/dbraw/zinc/89/31/01/376893101.db2.gz AFNHVGOQDDYZQG-VXGBXAGGSA-N 0 3 267.373 2.184 20 30 CEEDHN Cc1cc(CC(=O)N[C@H](C)C2=CCN(C)CC2)no1 ZINC000329288510 376938064 /nfs/dbraw/zinc/93/80/64/376938064.db2.gz HVARDGIRMPNCEZ-LLVKDONJSA-N 0 3 263.341 2.132 20 30 CEEDHN C[C@H](NC(=O)NCC[C@@H]1CCCCO1)C1=CCN(C)CC1 ZINC000329310118 376942241 /nfs/dbraw/zinc/94/22/41/376942241.db2.gz FSBMJMMOKKFTFY-ZFWWWQNUSA-N 0 3 295.427 2.100 20 30 CEEDHN CCN1CCCC[C@@H]1CNc1nnc(C)c(C)c1C#N ZINC000264698098 190130064 /nfs/dbraw/zinc/13/00/64/190130064.db2.gz DNLFRMRNHYPGPR-CYBMUJFWSA-N 0 3 273.384 2.251 20 30 CEEDHN C[C@H](CNc1ncc2c(c1C#N)CCC2)N1CCC[C@H](C)C1 ZINC000563018996 377062492 /nfs/dbraw/zinc/06/24/92/377062492.db2.gz NZCDJPXXYZOXPO-UONOGXRCSA-N 0 3 298.434 2.396 20 30 CEEDHN CC[C@H]1C[C@H](C)CN1CC(=O)NCc1cccc(C#N)c1 ZINC000330943103 377207705 /nfs/dbraw/zinc/20/77/05/377207705.db2.gz HDOPBRMCQHHGJH-BBRMVZONSA-N 0 3 285.391 2.295 20 30 CEEDHN CC[C@H]1C[C@H](C)CN1CC(=O)NCc1ccc(C#N)cc1 ZINC000330962595 377215847 /nfs/dbraw/zinc/21/58/47/377215847.db2.gz YQIGXKZJCYFGMW-BBRMVZONSA-N 0 3 285.391 2.295 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N(C)CC1CCN(C)CC1 ZINC000424644453 377281031 /nfs/dbraw/zinc/28/10/31/377281031.db2.gz MNKUJDYSPZWYAB-UHFFFAOYSA-N 0 3 252.402 2.389 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CCOCC1 ZINC000424705590 377285740 /nfs/dbraw/zinc/28/57/40/377285740.db2.gz AHJQGRVPNNNDSK-ZIAGYGMSSA-N 0 3 292.423 2.101 20 30 CEEDHN C[C@@]1(CO)CCC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000331147803 377303464 /nfs/dbraw/zinc/30/34/64/377303464.db2.gz HJWKTPVXMZVNQV-GJZGRUSLSA-N 0 3 262.328 2.338 20 30 CEEDHN Clc1ccccc1C#CCN1CC[C@H](c2nc[nH]n2)C1 ZINC000425556090 377371826 /nfs/dbraw/zinc/37/18/26/377371826.db2.gz ZMPSZHASLBDHBS-ZDUSSCGKSA-N 0 3 286.766 2.299 20 30 CEEDHN C#CCOc1ccc(CN[C@H](C)Cn2ccnc2)cc1 ZINC000264950945 190147078 /nfs/dbraw/zinc/14/70/78/190147078.db2.gz KRRTUPGCVJJWEK-CQSZACIVSA-N 0 3 269.348 2.073 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000331387141 377409092 /nfs/dbraw/zinc/40/90/92/377409092.db2.gz IFCINUFFOCBANE-IRXDYDNUSA-N 0 3 297.402 2.439 20 30 CEEDHN N#CCC[C@H](C#N)CNCCc1c[nH]c2ncccc12 ZINC000564784374 377452020 /nfs/dbraw/zinc/45/20/20/377452020.db2.gz AODFFSAROHEZMR-GFCCVEGCSA-N 0 3 267.336 2.139 20 30 CEEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@@H]1CC1(C)C ZINC000331912834 377496050 /nfs/dbraw/zinc/49/60/50/377496050.db2.gz UKKYOYBVNKNLJN-HUUCEWRRSA-N 0 3 281.359 2.497 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H]1CC[C@@H](C)C1 ZINC000429578238 377517406 /nfs/dbraw/zinc/51/74/06/377517406.db2.gz MLJOEYYKCHRGKS-IPYPFGDCSA-N 0 3 265.401 2.161 20 30 CEEDHN C=CCN(C)CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000429698321 377519951 /nfs/dbraw/zinc/51/99/51/377519951.db2.gz BXPMBSYAHSVSHY-HZPDHXFCSA-N 0 3 295.471 2.121 20 30 CEEDHN C#CCCNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000265755034 190204716 /nfs/dbraw/zinc/20/47/16/190204716.db2.gz YKZBHUBZRPGDSE-UHFFFAOYSA-N 0 3 289.379 2.080 20 30 CEEDHN N#Cc1cc(NCCN2CCC3(CCCCC3)CC2)ncn1 ZINC000565342204 377643541 /nfs/dbraw/zinc/64/35/41/377643541.db2.gz RRTJWQMIMNJBNM-UHFFFAOYSA-N 0 3 299.422 2.228 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC(CCC#N)CC1 ZINC000566273873 377751483 /nfs/dbraw/zinc/75/14/83/377751483.db2.gz DYBJUTAVBYZYEM-OKILXGFUSA-N 0 3 277.412 2.402 20 30 CEEDHN CC1(C)CCCN1CCNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000333309007 377759330 /nfs/dbraw/zinc/75/93/30/377759330.db2.gz DKJFAROXAALGCN-KRWDZBQOSA-N 0 3 289.423 2.451 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2ccccc2C)CC1 ZINC000265865449 190213944 /nfs/dbraw/zinc/21/39/44/190213944.db2.gz XPJSWHZPVBYNEH-UHFFFAOYSA-N 0 3 270.376 2.213 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)[C@]2(C#N)CC23CCCC3)CCN1C ZINC000333536192 377775750 /nfs/dbraw/zinc/77/57/50/377775750.db2.gz KCGLCXZLGCPQBH-DVOMOZLQSA-N 0 3 275.396 2.059 20 30 CEEDHN N#CCSCCCN1CCOC[C@@H]1C1CCC1 ZINC000567266354 377815691 /nfs/dbraw/zinc/81/56/91/377815691.db2.gz YBGPHOQFISIXLZ-CYBMUJFWSA-N 0 3 254.399 2.134 20 30 CEEDHN CN(C(=O)[C@H](C#N)CCc1ccccc1)[C@@H]1CCCN(C)C1 ZINC000433365472 377792174 /nfs/dbraw/zinc/79/21/74/377792174.db2.gz PVYVKVVGBLNMTQ-DLBZAZTESA-N 0 3 299.418 2.312 20 30 CEEDHN C=CCCCN(C)Cc1c(C)nn(CC(=O)OCC)c1C ZINC000438121759 377889783 /nfs/dbraw/zinc/88/97/83/377889783.db2.gz AJXMVQNOPIJIKN-UHFFFAOYSA-N 0 3 293.411 2.461 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000437412108 377843971 /nfs/dbraw/zinc/84/39/71/377843971.db2.gz PFTLBVUGQPHYLY-IEBDPFPHSA-N 0 3 280.274 2.420 20 30 CEEDHN COC[C@]1(C)CCN(CCOc2cccc(C#N)c2)C1 ZINC000294180649 377930045 /nfs/dbraw/zinc/93/00/45/377930045.db2.gz KBAPIKBTHYLKOX-MRXNPFEDSA-N 0 3 274.364 2.295 20 30 CEEDHN C[C@H](CNC(=O)NCC1CCC(C#N)CC1)N(C)C1CC1 ZINC000441013379 377933114 /nfs/dbraw/zinc/93/31/14/377933114.db2.gz UJOQSUVOZGLPQC-IYXRBSQSSA-N 0 3 292.427 2.098 20 30 CEEDHN C#CCOc1ccccc1CN[C@H]1CCOC1(C)C ZINC000294695573 378014346 /nfs/dbraw/zinc/01/43/46/378014346.db2.gz ITDCBIYPYVXUPR-HNNXBMFYSA-N 0 3 259.349 2.356 20 30 CEEDHN N#C[C@@H]1CC[C@H](NC[C@H]2COc3ccccc3O2)C1 ZINC000442643125 377973889 /nfs/dbraw/zinc/97/38/89/377973889.db2.gz FTPISTOALVXICV-AGIUHOORSA-N 0 3 258.321 2.108 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000442670874 377980166 /nfs/dbraw/zinc/98/01/66/377980166.db2.gz KEXUUCBIHWGMEG-MBNYWOFBSA-N 0 3 270.442 2.093 20 30 CEEDHN CC#CCN(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000294736803 378017614 /nfs/dbraw/zinc/01/76/14/378017614.db2.gz ZYPOBXFJTRJXTD-UHFFFAOYSA-N 0 3 284.403 2.380 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@H](O)c1ccc(C)o1 ZINC000265967218 190219489 /nfs/dbraw/zinc/21/94/89/190219489.db2.gz KCRPRMXUUNIBQX-OAHLLOKOSA-N 0 3 285.343 2.423 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCCCS(=O)(=O)c2ccccc2)C1 ZINC000442777534 377993681 /nfs/dbraw/zinc/99/36/81/377993681.db2.gz IYTYGSMEASNQTP-UONOGXRCSA-N 0 3 292.404 2.132 20 30 CEEDHN C#CCOc1ccc(CNCc2[nH]ncc2C)cc1 ZINC000295064415 378038842 /nfs/dbraw/zinc/03/88/42/378038842.db2.gz QNOIOFVQTFVDER-UHFFFAOYSA-N 0 3 255.321 2.020 20 30 CEEDHN C[C@@H]1CN(C(=O)c2cccc(C#N)c2)CCN(C2CC2)C1 ZINC000295226277 378059367 /nfs/dbraw/zinc/05/93/67/378059367.db2.gz BCOTURFABHWMOH-ZDUSSCGKSA-N 0 3 283.375 2.115 20 30 CEEDHN CC(C#N)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC000446868394 378085631 /nfs/dbraw/zinc/08/56/31/378085631.db2.gz PAECTRRMFFGSGI-LLVKDONJSA-N 0 3 299.305 2.134 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCCC2(CCCC2)C1 ZINC000445864819 378082775 /nfs/dbraw/zinc/08/27/75/378082775.db2.gz YRKOGBVGAHTJRF-ZDUSSCGKSA-N 0 3 250.386 2.333 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NCc2ccnc(-n3cccn3)c2)C1 ZINC000447546211 378115590 /nfs/dbraw/zinc/11/55/90/378115590.db2.gz ZZCFWRLOEBSJMZ-UKRRQHHQSA-N 0 3 281.363 2.439 20 30 CEEDHN Cc1ccc([C@H](CNc2nccc(C#N)n2)N(C)C)cc1 ZINC000295455654 378165583 /nfs/dbraw/zinc/16/55/83/378165583.db2.gz HJSUZSPREZWBTN-HNNXBMFYSA-N 0 3 281.363 2.372 20 30 CEEDHN CC[C@H](CO)N(C)CC#Cc1ccc(Cl)cc1 ZINC000295621338 378240747 /nfs/dbraw/zinc/24/07/47/378240747.db2.gz FDNKGMAIGCPPMO-CQSZACIVSA-N 0 3 251.757 2.394 20 30 CEEDHN C[C@@H](CNc1ncc(Br)cc1C#N)N(C)C ZINC000296610474 378592189 /nfs/dbraw/zinc/59/21/89/378592189.db2.gz UDDNYBRBOXKZTB-QMMMGPOBSA-N 0 3 283.173 2.078 20 30 CEEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)(F)F ZINC000452865095 378733303 /nfs/dbraw/zinc/73/33/03/378733303.db2.gz MFDKEBYKLYVZNP-GXFFZTMASA-N 0 3 291.301 2.400 20 30 CEEDHN C#CCN(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000298463892 378733726 /nfs/dbraw/zinc/73/37/26/378733726.db2.gz IGYKTSBJTCZVJT-UHFFFAOYSA-N 0 3 275.739 2.105 20 30 CEEDHN CC(C)(CC#N)CNCc1ccc(-n2cncn2)c(F)c1 ZINC000515135094 379188790 /nfs/dbraw/zinc/18/87/90/379188790.db2.gz MBHJHZKCWMMDBG-UHFFFAOYSA-N 0 3 287.342 2.436 20 30 CEEDHN CCCCN1CCCC[C@H]1CNc1nccnc1C#N ZINC000301207418 379219386 /nfs/dbraw/zinc/21/93/86/379219386.db2.gz ZWHOUSHRWPYLTI-ZDUSSCGKSA-N 0 3 273.384 2.415 20 30 CEEDHN C#CCCN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000266737743 190277684 /nfs/dbraw/zinc/27/76/84/190277684.db2.gz LFACYXMGCRHHSB-UHFFFAOYSA-N 0 3 271.364 2.296 20 30 CEEDHN N#Cc1cc(NC(=O)C23CCCN2CCC3)ccc1F ZINC000278984659 194241629 /nfs/dbraw/zinc/24/16/29/194241629.db2.gz YVBMHDDBBYBDCB-UHFFFAOYSA-N 0 3 273.311 2.264 20 30 CEEDHN C=C(CC)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000456814872 379561018 /nfs/dbraw/zinc/56/10/18/379561018.db2.gz WHAWGSCLEGTTOQ-HNNXBMFYSA-N 0 3 267.332 2.323 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)C[C@H]1CCC[C@H]1O ZINC000305356459 379709256 /nfs/dbraw/zinc/70/92/56/379709256.db2.gz SACXBKGKUDAVMT-UKRRQHHQSA-N 0 3 274.364 2.160 20 30 CEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)CC(C)(C)C#N ZINC000457932390 379961617 /nfs/dbraw/zinc/96/16/17/379961617.db2.gz LYZYHFUNKHZZRA-ZIAGYGMSSA-N 0 3 294.443 2.298 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000529429897 380174427 /nfs/dbraw/zinc/17/44/27/380174427.db2.gz YSQWKVOBNQRJFV-HNNXBMFYSA-N 0 3 277.412 2.261 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000529716480 380185229 /nfs/dbraw/zinc/18/52/29/380185229.db2.gz MDQGKOGQNFKTLE-OAGGEKHMSA-N 0 3 292.423 2.101 20 30 CEEDHN CC(C)N(CCC(=O)N(C)CCC#N)Cc1ccccn1 ZINC000540011575 380250915 /nfs/dbraw/zinc/25/09/15/380250915.db2.gz YYSDHHUBWHRVQP-UHFFFAOYSA-N 0 3 288.395 2.054 20 30 CEEDHN C[C@H](CNC(=O)C1(C#N)CC(C)C1)N1CCCC[C@@H]1C ZINC000532323371 380213411 /nfs/dbraw/zinc/21/34/11/380213411.db2.gz XVOSZKJQOLSRQS-IOSBVQAASA-N 0 3 277.412 2.305 20 30 CEEDHN C=CCCCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000279078030 194275125 /nfs/dbraw/zinc/27/51/25/194275125.db2.gz DSGRRVSFJPPQOM-MRXNPFEDSA-N 0 3 289.423 2.425 20 30 CEEDHN C#C[C@@H](CC)NCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000491737722 380347906 /nfs/dbraw/zinc/34/79/06/380347906.db2.gz FOIROEOCAOFEEP-ZDUSSCGKSA-N 0 3 283.331 2.307 20 30 CEEDHN C#C[C@@H](NCc1ccc(OCC(=O)OC)cc1)C(C)(C)C ZINC000491766019 380349124 /nfs/dbraw/zinc/34/91/24/380349124.db2.gz DPLVCRQZGSNWBF-OAHLLOKOSA-N 0 3 289.375 2.376 20 30 CEEDHN CCc1nncn1CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000547386273 380435782 /nfs/dbraw/zinc/43/57/82/380435782.db2.gz AAJBITIEGNHZPY-NSHDSACASA-N 0 3 287.342 2.202 20 30 CEEDHN N#Cc1cccc(C2(NCCOC[C@H]3CCCO3)CC2)c1 ZINC000551713968 380650116 /nfs/dbraw/zinc/65/01/16/380650116.db2.gz OZCWOYJCWAJIBS-MRXNPFEDSA-N 0 3 286.375 2.333 20 30 CEEDHN C#CCSCCNCc1ccnn1-c1ccccc1 ZINC000279201488 194330104 /nfs/dbraw/zinc/33/01/04/194330104.db2.gz UYVXBJVUXRTROI-UHFFFAOYSA-N 0 3 271.389 2.328 20 30 CEEDHN C#CCCN1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000494113459 381154600 /nfs/dbraw/zinc/15/46/00/381154600.db2.gz MXQZWKHTXVFSAC-CYBMUJFWSA-N 0 3 266.385 2.246 20 30 CEEDHN C[C@H](N[C@@]1(C)CCO[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000494255579 381156008 /nfs/dbraw/zinc/15/60/08/381156008.db2.gz BPKCTWGHEDZSPT-OZVIIMIRSA-N 0 3 287.363 2.042 20 30 CEEDHN CC#CCN1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494958000 381164182 /nfs/dbraw/zinc/16/41/82/381164182.db2.gz WPGCNXUPVWEGRV-STQMWFEESA-N 0 3 266.385 2.245 20 30 CEEDHN C=CCOCCN1CCCC[C@H]1COC(=O)N(C)CC ZINC000495591657 381176832 /nfs/dbraw/zinc/17/68/32/381176832.db2.gz GWULTNWIGHQBRV-AWEZNQCLSA-N 0 3 284.400 2.132 20 30 CEEDHN C=CCOCCN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000495595052 381178067 /nfs/dbraw/zinc/17/80/67/381178067.db2.gz OKAHEGXCKKRTBN-KBPBESRZSA-N 0 3 298.427 2.424 20 30 CEEDHN CCOC(=O)N(C)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000495650166 381178975 /nfs/dbraw/zinc/17/89/75/381178975.db2.gz GUIHHSQXDWTDMT-OCCSQVGLSA-N 0 3 279.384 2.231 20 30 CEEDHN C=CCOCCN1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495655802 381179594 /nfs/dbraw/zinc/17/95/94/381179594.db2.gz XIFONDCYPUKVAH-AWEZNQCLSA-N 0 3 298.427 2.426 20 30 CEEDHN C=CCC[C@H](O)CN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000495895587 381190628 /nfs/dbraw/zinc/19/06/28/381190628.db2.gz INANQCSASQVKSU-IHRRRGAJSA-N 0 3 298.427 2.301 20 30 CEEDHN CC(C#N)C(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000496700699 381224552 /nfs/dbraw/zinc/22/45/52/381224552.db2.gz LHTSVOHCHNMAII-LLVKDONJSA-N 0 3 295.383 2.052 20 30 CEEDHN C=CCOCCNCc1cc(OC)c(OC)c(OC)c1 ZINC000380465895 542338030 /nfs/dbraw/zinc/33/80/30/542338030.db2.gz SDRZFUDSHPGYGF-UHFFFAOYSA-N 0 3 281.352 2.005 20 30 CEEDHN C[C@H](NCCC1(O)CCOCC1)c1ccc(C#N)c(F)c1 ZINC000353879522 220385222 /nfs/dbraw/zinc/38/52/22/220385222.db2.gz OMJKNMXJXPADJD-LBPRGKRZSA-N 0 3 292.354 2.280 20 30 CEEDHN COC(=O)[C@@]1(C)CCCN(Cc2ccc(C#N)cc2)C1 ZINC000412104383 533117506 /nfs/dbraw/zinc/11/75/06/533117506.db2.gz NHSYLEHWUOQLBS-INIZCTEOSA-N 0 3 272.348 2.333 20 30 CEEDHN C[C@@H]1OCC[C@]12CN(CCCC(C)(C)C#N)CCO2 ZINC000365548814 262369643 /nfs/dbraw/zinc/36/96/43/262369643.db2.gz ALAJAGRISUJSCS-ZFWWWQNUSA-N 0 3 266.385 2.196 20 30 CEEDHN CC(C)(C#N)CCCCN1CC[C@H](N2CCCC2=O)C1 ZINC000336828078 262398049 /nfs/dbraw/zinc/39/80/49/262398049.db2.gz SJPLZWZOBMNTDW-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN CC#CCN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192111606 130374595 /nfs/dbraw/zinc/37/45/95/130374595.db2.gz WZTQHSGDSUIBDL-KGLIPLIRSA-N 0 3 251.276 2.408 20 30 CEEDHN C[C@H]1CCCCN1CCNc1ncc(C#N)cc1F ZINC000413055476 394476372 /nfs/dbraw/zinc/47/63/72/394476372.db2.gz ATJKWDYHRISYPV-NSHDSACASA-N 0 3 262.332 2.379 20 30 CEEDHN Cc1cc(N[C@H]2CCN(C3CC3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413075544 394479292 /nfs/dbraw/zinc/47/92/92/394479292.db2.gz PTICVSOMMVSGOP-LBPRGKRZSA-N 0 3 286.335 2.424 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000355646356 394486845 /nfs/dbraw/zinc/48/68/45/394486845.db2.gz WBYFSMRKZCVXPN-YJNKXOJESA-N 0 3 294.439 2.203 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@H]2CCC[C@H](OC)C2)CC1 ZINC000355658617 394491722 /nfs/dbraw/zinc/49/17/22/394491722.db2.gz LQNNAVDVRMXWED-HOCLYGCPSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCNC(=O)c1ccc(NC(=O)[C@](C)(N)CCC)cc1 ZINC000037769510 394498019 /nfs/dbraw/zinc/49/80/19/394498019.db2.gz XHOCPKXFKKOURC-MRXNPFEDSA-N 0 3 289.379 2.058 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@H]1CCCCO1 ZINC000042813837 394504993 /nfs/dbraw/zinc/50/49/93/394504993.db2.gz XAQOXNZCZUAICO-HNNXBMFYSA-N 0 3 259.349 2.357 20 30 CEEDHN CCn1ccnc1[C@H]1OCC[C@@H]1N[C@H]1CC[C@@H](C#N)C1 ZINC000328929682 394557239 /nfs/dbraw/zinc/55/72/39/394557239.db2.gz HEPUYSOSDCPTIO-RFGFWPKPSA-N 0 3 274.368 2.015 20 30 CEEDHN Cc1cnc(NC(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)o1 ZINC000329416347 394562290 /nfs/dbraw/zinc/56/22/90/394562290.db2.gz DCLBGTPIFHJIOD-PWSUYJOCSA-N 0 3 278.356 2.087 20 30 CEEDHN CNC(=O)CCN(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356215566 394563851 /nfs/dbraw/zinc/56/38/51/394563851.db2.gz JKMGWJWYJQYBEG-UHFFFAOYSA-N 0 3 299.296 2.145 20 30 CEEDHN Cc1nc(C2CC2)oc1C(=O)NCCN(C)C1CC1 ZINC000329504627 394567729 /nfs/dbraw/zinc/56/77/29/394567729.db2.gz IJVFSNVOOSUFNE-UHFFFAOYSA-N 0 3 263.341 2.259 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2ccccc2-n2ccnn2)CCN1C ZINC000329590884 394575420 /nfs/dbraw/zinc/57/54/20/394575420.db2.gz YRCFFXSKXKLULM-CHWSQXEVSA-N 0 3 299.378 2.055 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000248530156 394542593 /nfs/dbraw/zinc/54/25/93/394542593.db2.gz MGAXJGQVPMTHOZ-IVMMDQJWSA-N 0 3 277.412 2.305 20 30 CEEDHN Cc1ccc([C@H](O)CNCc2ccc(C#N)cc2)o1 ZINC000265917794 394655959 /nfs/dbraw/zinc/65/59/59/394655959.db2.gz BQEMIAHCRYNJEO-CQSZACIVSA-N 0 3 256.305 2.283 20 30 CEEDHN N#CC1(CCCN2CCC[C@H]2C(N)=O)CCOCC1 ZINC000330378876 394602465 /nfs/dbraw/zinc/60/24/65/394602465.db2.gz GKFUXWBVCIBCIW-LBPRGKRZSA-N 0 3 265.357 2.087 20 30 CEEDHN N#Cc1cccc(CNCc2ccc(NC(N)=O)cc2)c1 ZINC000075760562 394612880 /nfs/dbraw/zinc/61/28/80/394612880.db2.gz KLCVTAPRFGSXDG-UHFFFAOYSA-N 0 3 280.331 2.339 20 30 CEEDHN CON1CCC(N[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000421867589 394621745 /nfs/dbraw/zinc/62/17/45/394621745.db2.gz BPOSEYCWOBRFKH-LLVKDONJSA-N 0 3 277.343 2.374 20 30 CEEDHN Cc1nc(CC(C)C)oc1C(=O)N[C@@H](C)CN(C)C ZINC000330667259 394625362 /nfs/dbraw/zinc/62/53/62/394625362.db2.gz BGGOBWNBBORXJU-JTQLQIEISA-N 0 3 267.373 2.436 20 30 CEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)NCCN(C)C ZINC000413835728 394648571 /nfs/dbraw/zinc/64/85/71/394648571.db2.gz NVQCVEWCGCTANI-HNNXBMFYSA-N 0 3 275.396 2.035 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)c1ccc(CC#N)cc1 ZINC000270317773 394731056 /nfs/dbraw/zinc/73/10/56/394731056.db2.gz SXNGLQVPSIZZJR-UHFFFAOYSA-N 0 3 285.391 2.166 20 30 CEEDHN Cc1ccc(C#N)c(N2CC[C@@H](N3CCCCC3)C2)n1 ZINC000110259073 394735569 /nfs/dbraw/zinc/73/55/69/394735569.db2.gz AFALWZFNZDCOSY-OAHLLOKOSA-N 0 3 270.380 2.326 20 30 CEEDHN CC#CCNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000359102373 394740876 /nfs/dbraw/zinc/74/08/76/394740876.db2.gz LGTNTUPJCYOUQV-UHFFFAOYSA-N 0 3 291.439 2.355 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(Br)c(F)c1 ZINC000335149476 394744004 /nfs/dbraw/zinc/74/40/04/394744004.db2.gz QOXHEIYEVKDABK-ZETCQYMHSA-N 0 3 285.116 2.364 20 30 CEEDHN COc1ccc(CN2CCN(C)[C@H](C)[C@@H]2C)cc1C#N ZINC000357001415 394677982 /nfs/dbraw/zinc/67/79/82/394677982.db2.gz MIUVKQGJGFTWRS-OLZOCXBDSA-N 0 3 273.380 2.091 20 30 CEEDHN CC[C@H](NCc1cccc(C#N)c1)[C@H](O)C(F)(F)F ZINC000271041738 394745524 /nfs/dbraw/zinc/74/55/24/394745524.db2.gz ZUUNAGJSTLRMCY-RYUDHWBXSA-N 0 3 272.270 2.350 20 30 CEEDHN COC(=O)C[C@H]1CCCN1Cc1ccc(OCC#N)cc1 ZINC000269665743 394720330 /nfs/dbraw/zinc/72/03/30/394720330.db2.gz PUKPODRVWUURNV-CQSZACIVSA-N 0 3 288.347 2.116 20 30 CEEDHN C[C@@](C#N)(NC(=O)CNC1(c2ccccc2)CCC1)C1CC1 ZINC000104665151 394720726 /nfs/dbraw/zinc/72/07/26/394720726.db2.gz AZWXQKUBMCYPKK-KRWDZBQOSA-N 0 3 297.402 2.464 20 30 CEEDHN N#CCc1ccc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc1 ZINC000270236987 394728772 /nfs/dbraw/zinc/72/87/72/394728772.db2.gz BPQCJDIMJFXVQJ-QGZVFWFLSA-N 0 3 297.402 2.453 20 30 CEEDHN C[C@@H](NCCCC#N)c1ccc([S@](C)=O)cc1 ZINC000271776015 394764338 /nfs/dbraw/zinc/76/43/38/394764338.db2.gz FZEDNSCKQFTSOS-DIFFPNOSSA-N 0 3 250.367 2.378 20 30 CEEDHN CCCN(CC#N)C(=O)c1cccc(CN(C)C)c1 ZINC000359965506 394781368 /nfs/dbraw/zinc/78/13/68/394781368.db2.gz AZWBMGAFMMTFJB-UHFFFAOYSA-N 0 3 259.353 2.124 20 30 CEEDHN C=CCNC(=O)CN(CCC)[C@@H]1C[C@H](OCC)C1(C)C ZINC000121061176 394791745 /nfs/dbraw/zinc/79/17/45/394791745.db2.gz MSUSHACONRFFIP-KGLIPLIRSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@H]3CCC[C@H]32)CC1 ZINC000335848630 394803475 /nfs/dbraw/zinc/80/34/75/394803475.db2.gz ZJVOWUJPCBVYKJ-UKRRQHHQSA-N 0 3 277.412 2.221 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)/C=C/c1cccc(C#N)c1 ZINC000122988559 394820667 /nfs/dbraw/zinc/82/06/67/394820667.db2.gz IVHBTZYCVRJQTD-ROJDOSBLSA-N 0 3 283.375 2.172 20 30 CEEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1COCCO1 ZINC000336823048 394879416 /nfs/dbraw/zinc/87/94/16/394879416.db2.gz NYDSPGDZKIJLRN-INIZCTEOSA-N 0 3 274.364 2.184 20 30 CEEDHN CC[C@@H](N[C@@H](C)Cn1cncn1)c1ccc(C#N)cc1 ZINC000278375143 394830117 /nfs/dbraw/zinc/83/01/17/394830117.db2.gz CNDZWHZYHITOIG-SWLSCSKDSA-N 0 3 269.352 2.279 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000336350529 394846617 /nfs/dbraw/zinc/84/66/17/394846617.db2.gz QWVODOWZSIPPAA-ZFWWWQNUSA-N 0 3 277.412 2.387 20 30 CEEDHN CC(C#N)C(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000336388895 394850410 /nfs/dbraw/zinc/85/04/10/394850410.db2.gz DYUSXEBTULCDLS-NSHDSACASA-N 0 3 275.327 2.388 20 30 CEEDHN C=CCN1CC[C@@H](NC(C)(C)c2ccccc2)C1=O ZINC000282003575 394893899 /nfs/dbraw/zinc/89/38/99/394893899.db2.gz NRNQTTZYAPYTRP-CQSZACIVSA-N 0 3 258.365 2.298 20 30 CEEDHN C=CCN1CC[C@@H](N2CC[C@H](Cc3ccccc3)C2)C1=O ZINC000282037333 394900556 /nfs/dbraw/zinc/90/05/56/394900556.db2.gz QOKJPAQSZRYXNJ-IAGOWNOFSA-N 0 3 284.403 2.338 20 30 CEEDHN Cc1c(Cl)cnc(N2CC[C@H]3CCN(C)[C@H]3C2)c1C#N ZINC000364630841 394913364 /nfs/dbraw/zinc/91/33/64/394913364.db2.gz GQMWLZZWYNUPJT-RISCZKNCSA-N 0 3 290.798 2.446 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000284457921 394945177 /nfs/dbraw/zinc/94/51/77/394945177.db2.gz SYUXWCSRLVPZEQ-ONGXEEELSA-N 0 3 270.760 2.331 20 30 CEEDHN C=CCOCCN(C)CCOCc1ccc(C#N)cc1 ZINC000339199751 394950883 /nfs/dbraw/zinc/95/08/83/394950883.db2.gz ATAMDBOIYFCLHE-UHFFFAOYSA-N 0 3 274.364 2.209 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1ccccc1C#N ZINC000340208782 394980918 /nfs/dbraw/zinc/98/09/18/394980918.db2.gz PYNTZPNVZPEBAF-UHFFFAOYSA-N 0 3 257.381 2.498 20 30 CEEDHN CN(C(=O)CN1C[C@H]2CCC[C@@H]2C1)C1(C#N)CCCCC1 ZINC000152887671 394998957 /nfs/dbraw/zinc/99/89/57/394998957.db2.gz RFVVMYVWHONMQP-HUUCEWRRSA-N 0 3 289.423 2.403 20 30 CEEDHN CN(C)Cc1ccc(CNC(=O)C2(C#N)CCCC2)cc1 ZINC000153078600 395000758 /nfs/dbraw/zinc/00/07/58/395000758.db2.gz XHVFTVHFZIZWNZ-UHFFFAOYSA-N 0 3 285.391 2.448 20 30 CEEDHN CCN1CC[C@@H]2OCCN(CCCC(C)(C)C#N)[C@H]2C1 ZINC000339389503 394958184 /nfs/dbraw/zinc/95/81/84/394958184.db2.gz CRUVDNBICQDKSX-GJZGRUSLSA-N 0 3 279.428 2.111 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@H](CC2CC2)C1 ZINC000339680433 394967523 /nfs/dbraw/zinc/96/75/23/394967523.db2.gz VDWJOPQNDKKRJQ-GDBMZVCRSA-N 0 3 277.412 2.163 20 30 CEEDHN CC(C)NC(=O)CCN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000135726376 394967708 /nfs/dbraw/zinc/96/77/08/394967708.db2.gz KGQZOZNALKYMTR-ZDUSSCGKSA-N 0 3 289.379 2.154 20 30 CEEDHN C=CCC[C@@H](O)CN1CCOC[C@@H]1CC1CCC1 ZINC000339768091 394970803 /nfs/dbraw/zinc/97/08/03/394970803.db2.gz OTJSCVUCSVKPRX-LSDHHAIUSA-N 0 3 253.386 2.205 20 30 CEEDHN N#Cc1ccc(N2CCCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000141204315 394972565 /nfs/dbraw/zinc/97/25/65/394972565.db2.gz YBRRYZOLZLPDMC-UHFFFAOYSA-N 0 3 286.335 2.141 20 30 CEEDHN C=CCCOCCNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000339887732 394973385 /nfs/dbraw/zinc/97/33/85/394973385.db2.gz UEOMQBVYRKATOQ-HNNXBMFYSA-N 0 3 280.412 2.102 20 30 CEEDHN CC(C#N)C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000339921437 394974483 /nfs/dbraw/zinc/97/44/83/394974483.db2.gz GTGAOEVWKQKJFP-WFASDCNBSA-N 0 3 290.338 2.493 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000368038721 394976125 /nfs/dbraw/zinc/97/61/25/394976125.db2.gz CWROIOQGOKZKTM-MRXNPFEDSA-N 0 3 292.386 2.250 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCC[C@@H](OC)C2)CC1 ZINC000340000418 394976671 /nfs/dbraw/zinc/97/66/71/394976671.db2.gz YQPDRRNXXXRBSA-GOEBONIOSA-N 0 3 294.439 2.348 20 30 CEEDHN C[C@@H]1CN2CCC[C@@H]2CN1c1ncc2c(c1C#N)CCC2 ZINC000425233150 395053211 /nfs/dbraw/zinc/05/32/11/395053211.db2.gz VRSGMJJBADUMSR-TZMCWYRMSA-N 0 3 282.391 2.115 20 30 CEEDHN CC(C)[C@@H](C(=O)NCC1(C#N)CCC1)N1CCCCC1 ZINC000416352486 395056811 /nfs/dbraw/zinc/05/68/11/395056811.db2.gz CPLKLYHSCKXEPQ-AWEZNQCLSA-N 0 3 277.412 2.307 20 30 CEEDHN C#CCN(C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000288309208 395057300 /nfs/dbraw/zinc/05/73/00/395057300.db2.gz XGLTYKILMSLOPS-PBHICJAKSA-N 0 3 299.418 2.485 20 30 CEEDHN CC#CCN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000159657961 395059378 /nfs/dbraw/zinc/05/93/78/395059378.db2.gz LVOVIDHSIVQVMJ-UHFFFAOYSA-N 0 3 282.387 2.311 20 30 CEEDHN CSC[C@@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425529861 395061242 /nfs/dbraw/zinc/06/12/42/395061242.db2.gz CTLMQFLCLCOEOA-RISCZKNCSA-N 0 3 264.394 2.275 20 30 CEEDHN Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)C(C)C#N)o1 ZINC000345517877 395069315 /nfs/dbraw/zinc/06/93/15/395069315.db2.gz AERQLJLONXWEHW-QMTHXVAHSA-N 0 3 296.330 2.164 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000426041008 395072170 /nfs/dbraw/zinc/07/21/70/395072170.db2.gz CDRGKHLKKMLCSW-BFHYXJOUSA-N 0 3 277.412 2.362 20 30 CEEDHN C#C[C@H](NC(=O)C1C[C@H](c2ccccc2)OC1=O)C(C)C ZINC000289249212 395072559 /nfs/dbraw/zinc/07/25/59/395072559.db2.gz AUFFDGNEQUJJAJ-QLFBSQMISA-N 0 3 285.343 2.065 20 30 CEEDHN CC(C)(C#N)CCNC1(CO)Cc2ccccc2C1 ZINC000345717993 395074266 /nfs/dbraw/zinc/07/42/66/395074266.db2.gz VJXZGVCRNGRMDB-UHFFFAOYSA-N 0 3 258.365 2.046 20 30 CEEDHN CC(C#N)C(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000345752439 395075360 /nfs/dbraw/zinc/07/53/60/395075360.db2.gz PHGJAELOSOFKBA-VIFPVBQESA-N 0 3 286.253 2.360 20 30 CEEDHN C#CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000374168372 395075696 /nfs/dbraw/zinc/07/56/96/395075696.db2.gz VYMXPBIFGNWOQD-JSGCOSHPSA-N 0 3 291.420 2.063 20 30 CEEDHN C#C[C@@H](C)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289369346 395076189 /nfs/dbraw/zinc/07/61/89/395076189.db2.gz LGHLJWOHZVNOKF-LLVKDONJSA-N 0 3 284.319 2.107 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC2(Cc3ccccc3C2)C1 ZINC000374380846 395081596 /nfs/dbraw/zinc/08/15/96/395081596.db2.gz OTSFWFNOOMRZKR-AWEZNQCLSA-N 0 3 284.403 2.168 20 30 CEEDHN C=CCCCNCc1cnc(C2OCCO2)s1 ZINC000289620628 395081966 /nfs/dbraw/zinc/08/19/66/395081966.db2.gz JWIJQPRWWVDNEA-UHFFFAOYSA-N 0 3 254.355 2.244 20 30 CEEDHN CN1CC[C@@H]2CCN(c3ccc(C#N)cc3F)C[C@@H]21 ZINC000375051515 395090175 /nfs/dbraw/zinc/09/01/75/395090175.db2.gz WGTBOLCVEWRACG-DOMZBBRYSA-N 0 3 259.328 2.228 20 30 CEEDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000346377710 395096980 /nfs/dbraw/zinc/09/69/80/395096980.db2.gz FASNULQULHYBDY-OLZOCXBDSA-N 0 3 265.401 2.305 20 30 CEEDHN CC[C@H](C)CN(CC)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000346377711 395097270 /nfs/dbraw/zinc/09/72/70/395097270.db2.gz FASNULQULHYBDY-QWHCGFSZSA-N 0 3 265.401 2.305 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2conc2C2CC2)CC1 ZINC000290266523 395097637 /nfs/dbraw/zinc/09/76/37/395097637.db2.gz OXIXYJIAHZWWBW-UHFFFAOYSA-N 0 3 289.379 2.322 20 30 CEEDHN CC#CCCN1CCC(CN2CCCCC2=O)CC1 ZINC000156641554 395033438 /nfs/dbraw/zinc/03/34/38/395033438.db2.gz KZGQZRHCGDEITH-UHFFFAOYSA-N 0 3 262.397 2.124 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)C12CCCN1CCC2 ZINC000287146330 395034875 /nfs/dbraw/zinc/03/48/75/395034875.db2.gz GAWDPNTUPSTQCP-KRWDZBQOSA-N 0 3 296.414 2.366 20 30 CEEDHN C=C(C)CN1CCC(Nc2nc(C)cc(C#N)n2)CC1 ZINC000287381204 395040164 /nfs/dbraw/zinc/04/01/64/395040164.db2.gz OPHLDGWZVNDRPJ-UHFFFAOYSA-N 0 3 271.368 2.109 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H]1C[C@@H](C)c2ccccc21 ZINC000290346100 395099688 /nfs/dbraw/zinc/09/96/88/395099688.db2.gz PUGVZWUNGCQLLP-IUODEOHRSA-N 0 3 279.405 2.425 20 30 CEEDHN C#CCC(C)(C)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000376407110 395119432 /nfs/dbraw/zinc/11/94/32/395119432.db2.gz KSPGCFWZZVZXKD-UONOGXRCSA-N 0 3 262.397 2.121 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)[C@H]1OCCc2sccc21 ZINC000346774108 395105311 /nfs/dbraw/zinc/10/53/11/395105311.db2.gz GPSUBUVTDBUUBX-VDDIYKPWSA-N 0 3 264.350 2.026 20 30 CEEDHN C#Cc1ccc(CN[C@@H]2C[C@@H](OCC)[C@@]23CCCO3)cc1 ZINC000290537071 395107180 /nfs/dbraw/zinc/10/71/80/395107180.db2.gz YNNLBBHYBVKLBS-KZNAEPCWSA-N 0 3 285.387 2.484 20 30 CEEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1ncon1 ZINC000346823092 395108547 /nfs/dbraw/zinc/10/85/47/395108547.db2.gz BSDWSPNKVDKFQO-WCQYABFASA-N 0 3 284.319 2.019 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000428038635 395134127 /nfs/dbraw/zinc/13/41/27/395134127.db2.gz OPBCITVTHUYBOP-HZSPNIEDSA-N 0 3 250.386 2.426 20 30 CEEDHN C[C@@H]1[C@@H](C)N(Cc2cccc(F)c2C#N)CCN1C ZINC000428307356 395144735 /nfs/dbraw/zinc/14/47/35/395144735.db2.gz UIMGONJTUFZFBV-VXGBXAGGSA-N 0 3 261.344 2.222 20 30 CEEDHN CC(C)CN1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000178751735 395173203 /nfs/dbraw/zinc/17/32/03/395173203.db2.gz DUIKSPFKZRZMAA-UHFFFAOYSA-N 0 3 274.383 2.451 20 30 CEEDHN CC(C)N(C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCOC1 ZINC000292001168 395182559 /nfs/dbraw/zinc/18/25/59/395182559.db2.gz XJEWGCHCBQUKDR-HOTGVXAUSA-N 0 3 274.364 2.091 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CC[C@H](c2ccc(CC)cc2)C1 ZINC000293404771 395232710 /nfs/dbraw/zinc/23/27/10/395232710.db2.gz RPSNXPMZULVJJR-PBHICJAKSA-N 0 3 284.403 2.176 20 30 CEEDHN CCc1ccc(C#CC(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000293483650 395236201 /nfs/dbraw/zinc/23/62/01/395236201.db2.gz NHIYEIMQXRNPBI-OAHLLOKOSA-N 0 3 296.414 2.367 20 30 CEEDHN CCOC(=O)c1ccc(CNCCCCC#N)o1 ZINC000182195138 395236850 /nfs/dbraw/zinc/23/68/50/395236850.db2.gz MIRGBQVVPWMVOG-UHFFFAOYSA-N 0 3 250.298 2.240 20 30 CEEDHN CN(C(=O)c1ccc(C2(C#N)CC2)cc1)C1CCN(C)CC1 ZINC000182975016 395250090 /nfs/dbraw/zinc/25/00/90/395250090.db2.gz NCNUOYIIMXMORK-UHFFFAOYSA-N 0 3 297.402 2.408 20 30 CEEDHN C[S@@](=O)C[C@H](NCCCSCC#N)c1ccccc1 ZINC000183098676 395250905 /nfs/dbraw/zinc/25/09/05/395250905.db2.gz VFTIMXSTJDMKAK-IFXJQAMLSA-N 0 3 296.461 2.343 20 30 CEEDHN Cc1nc(N2CCC[C@@H]2CN(C)C)c(Cl)cc1C#N ZINC000292681606 395203110 /nfs/dbraw/zinc/20/31/10/395203110.db2.gz RABYVXREZYMRAX-GFCCVEGCSA-N 0 3 278.787 2.446 20 30 CEEDHN N#Cc1ccc(CN(CCO)[C@H]2CCCSC2)cc1F ZINC000433186093 395206050 /nfs/dbraw/zinc/20/60/50/395206050.db2.gz CWZUEXIEIGVBQV-AWEZNQCLSA-N 0 3 294.395 2.387 20 30 CEEDHN C[C@H](CNC(=O)NCCCCC#N)N1CCCC[C@H]1C ZINC000351353896 395207383 /nfs/dbraw/zinc/20/73/83/395207383.db2.gz UZUWDGUUFNGMKH-ZIAGYGMSSA-N 0 3 280.416 2.242 20 30 CEEDHN COC[C@H](NCc1ccc(C#N)c(C)c1)[C@H]1CCCO1 ZINC000433209860 395215732 /nfs/dbraw/zinc/21/57/32/395215732.db2.gz SXZCQOGNQDMLQX-JKSUJKDBSA-N 0 3 274.364 2.150 20 30 CEEDHN COCCCCN(C)Cc1cc(C#N)ccc1OC ZINC000397305002 395221103 /nfs/dbraw/zinc/22/11/03/395221103.db2.gz MRVOFNMXTWIMTN-UHFFFAOYSA-N 0 3 262.353 2.425 20 30 CEEDHN C#CCOc1ccccc1CNC[C@]1(O)CCC[C@H]1C ZINC000293191540 395224233 /nfs/dbraw/zinc/22/42/33/395224233.db2.gz XEYCUISINCZHFC-RHSMWYFYSA-N 0 3 273.376 2.339 20 30 CEEDHN CC(C)NC(=O)CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353274092 395293853 /nfs/dbraw/zinc/29/38/53/395293853.db2.gz FPCGKHLDBPYHKX-HNNXBMFYSA-N 0 3 271.364 2.050 20 30 CEEDHN CC(C)(C)[C@@H](NCCC1(C#N)CCCCC1)C(N)=O ZINC000411369714 395326379 /nfs/dbraw/zinc/32/63/79/395326379.db2.gz QTGCZPRGZARLIU-LBPRGKRZSA-N 0 3 265.401 2.340 20 30 CEEDHN C#CCN(C[C@H](O)CSC)[C@@H]1CCc2ccccc21 ZINC000187756803 395305389 /nfs/dbraw/zinc/30/53/89/395305389.db2.gz GMMQCLVYZDLIKF-GOEBONIOSA-N 0 3 275.417 2.333 20 30 CEEDHN CC(C#N)C(=O)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC000354221744 395322395 /nfs/dbraw/zinc/32/23/95/395322395.db2.gz TYDWZMYNXRIFKM-LBPRGKRZSA-N 0 3 290.338 2.193 20 30 CEEDHN C=CCc1cc(CN2C[C@@H](C)[C@H](CO)C2)cc(OC)c1O ZINC000191725894 395364499 /nfs/dbraw/zinc/36/44/99/395364499.db2.gz LGNGQRPANJZNLZ-DOMZBBRYSA-N 0 3 291.391 2.190 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](CC)N(C)C ZINC000298894825 395367536 /nfs/dbraw/zinc/36/75/36/395367536.db2.gz MSFUGSYXYTVRMH-MRXNPFEDSA-N 0 3 285.391 2.413 20 30 CEEDHN CS(=O)(=O)Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442714422 395392411 /nfs/dbraw/zinc/39/24/11/395392411.db2.gz LJKQMGFNGUEBJK-CABCVRRESA-N 0 3 292.404 2.013 20 30 CEEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)C(=O)N1CCCC[C@@H]1C ZINC000442786421 395395004 /nfs/dbraw/zinc/39/50/04/395395004.db2.gz ZIXAWMMJMQFNEC-XDQVBPFNSA-N 0 3 263.385 2.058 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@H](Cc2nccn2C)C1 ZINC000411427578 395328278 /nfs/dbraw/zinc/32/82/78/395328278.db2.gz OCZAGJLZHOPSTF-ZIAGYGMSSA-N 0 3 260.385 2.367 20 30 CEEDHN N#CC1(CCN2CCc3n[nH]c(=O)cc3C2)CCCCC1 ZINC000411559005 395330015 /nfs/dbraw/zinc/33/00/15/395330015.db2.gz VALLZWLWBYWHDV-UHFFFAOYSA-N 0 3 286.379 2.404 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1nnc(C2CC2)s1 ZINC000411649580 395333540 /nfs/dbraw/zinc/33/35/40/395333540.db2.gz RODSXKGPQZFYDP-UHFFFAOYSA-N 0 3 280.441 2.355 20 30 CEEDHN COc1cc(C(=O)C(C#N)c2ccncn2)ccc1C ZINC000354459600 395334827 /nfs/dbraw/zinc/33/48/27/395334827.db2.gz DHUNLOOYGLGRRU-LBPRGKRZSA-N 0 3 267.288 2.284 20 30 CEEDHN C[C@H](CCC#N)N1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000411659367 395336069 /nfs/dbraw/zinc/33/60/69/395336069.db2.gz GGHPBFMJRSSWGI-HIFRSBDPSA-N 0 3 266.385 2.339 20 30 CEEDHN C=CCN[C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412010913 395344805 /nfs/dbraw/zinc/34/48/05/395344805.db2.gz SKQHNXFGRMKASN-OAHLLOKOSA-N 0 3 261.365 2.292 20 30 CEEDHN CN(CC(=O)NCC#N)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000412015443 395345099 /nfs/dbraw/zinc/34/50/99/395345099.db2.gz SMLMJEROXZVWJQ-JKSUJKDBSA-N 0 3 285.391 2.284 20 30 CEEDHN CC(C)N(Cc1ccc(CC#N)cc1)C[C@H]1CCC(=O)N1 ZINC000412077445 395346921 /nfs/dbraw/zinc/34/69/21/395346921.db2.gz LLDIXLVHWAHJOA-MRXNPFEDSA-N 0 3 285.391 2.242 20 30 CEEDHN C[C@@H](CNC(=O)Cc1cccc(C#N)c1)N1CCC(C)CC1 ZINC000530670410 395456708 /nfs/dbraw/zinc/45/67/08/395456708.db2.gz ZGEIEGICDOMLDQ-HNNXBMFYSA-N 0 3 299.418 2.337 20 30 CEEDHN C[C@H]1CCN(CCNCc2ccc(C#N)cc2F)C1 ZINC000533446601 395461784 /nfs/dbraw/zinc/46/17/84/395461784.db2.gz WJVWDTQXQSKMKW-LBPRGKRZSA-N 0 3 261.344 2.129 20 30 CEEDHN N#Cc1ccc([C@H](NCC23CCC(CC2)C3)C(N)=O)cc1 ZINC000533795299 395462667 /nfs/dbraw/zinc/46/26/67/395462667.db2.gz XRCMBSFCKHVABY-VXKCQOAXSA-N 0 3 283.375 2.255 20 30 CEEDHN CCNC(=O)C1(CNCc2ccc(C#N)c(C)c2)CCC1 ZINC000443999407 395410459 /nfs/dbraw/zinc/41/04/59/395410459.db2.gz SWAPMUSWDBKEHC-UHFFFAOYSA-N 0 3 285.391 2.263 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000355414783 395442469 /nfs/dbraw/zinc/44/24/69/395442469.db2.gz WUSUUFNHBOOGGY-KBPBESRZSA-N 0 3 285.391 2.389 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)nc1 ZINC000566413976 395520366 /nfs/dbraw/zinc/52/03/66/395520366.db2.gz KFDQZVAQLNPQLJ-YJBOKZPZSA-N 0 3 296.418 2.402 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000448699691 395531685 /nfs/dbraw/zinc/53/16/85/395531685.db2.gz VAPGATGZMCNIKO-RYUDHWBXSA-N 0 3 288.395 2.188 20 30 CEEDHN C[C@H]1CN(Cc2cnc3c(C#N)cnn3c2)CC(C)(C)C1 ZINC000567888696 395539411 /nfs/dbraw/zinc/53/94/11/395539411.db2.gz OKKCZUJKXPTVRI-GFCCVEGCSA-N 0 3 283.379 2.469 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(C)n(C(C)C)n2)CC1 ZINC000448921009 395543327 /nfs/dbraw/zinc/54/33/27/395543327.db2.gz KJNYFPZCOFMESZ-UHFFFAOYSA-N 0 3 290.411 2.153 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000448932414 395543853 /nfs/dbraw/zinc/54/38/53/395543853.db2.gz ISQOFFBQFIKYQP-TXEJJXNPSA-N 0 3 288.395 2.188 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC[C@H](C#N)CCC#N ZINC000573068623 395599386 /nfs/dbraw/zinc/59/93/86/395599386.db2.gz WXXJMJMGLZEOHX-KBPBESRZSA-N 0 3 262.401 2.140 20 30 CEEDHN C=CCCCCCNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000568188793 395550350 /nfs/dbraw/zinc/55/03/50/395550350.db2.gz RUOPIOQMFDMQIB-GJZGRUSLSA-N 0 3 279.428 2.468 20 30 CEEDHN CC(C)CN(Cc1ccc(C#N)cc1)C[C@@H]1COCCO1 ZINC000450311328 395570847 /nfs/dbraw/zinc/57/08/47/395570847.db2.gz HJXZAVGIDJESLW-QGZVFWFLSA-N 0 3 288.391 2.432 20 30 CEEDHN N#CCC[C@H](C#N)CNCCCN1CCc2ccccc2C1 ZINC000572270595 395586134 /nfs/dbraw/zinc/58/61/34/395586134.db2.gz GMBSYRFKLCEFKB-MRXNPFEDSA-N 0 3 296.418 2.468 20 30 CEEDHN CO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000451631695 395623924 /nfs/dbraw/zinc/62/39/24/395623924.db2.gz IOOXABXWXCRRGQ-KCPJHIHWSA-N 0 3 287.363 2.042 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000451830487 395625310 /nfs/dbraw/zinc/62/53/10/395625310.db2.gz YOEWICQZYAPRCN-JKSUJKDBSA-N 0 3 295.471 2.216 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NCc1nc(C#N)cs1 ZINC000574100024 395626623 /nfs/dbraw/zinc/62/66/23/395626623.db2.gz RUMYNGNCEIIEOA-LBPRGKRZSA-N 0 3 278.425 2.225 20 30 CEEDHN CC(C)[C@@H]1C[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000458106297 395638336 /nfs/dbraw/zinc/63/83/36/395638336.db2.gz BPKNYSPPSXXAGX-OWCLPIDISA-N 0 3 281.359 2.401 20 30 CEEDHN Cc1nc(NC[C@H](Cc2ccccc2)N(C)C)ccc1C#N ZINC000487937758 395667701 /nfs/dbraw/zinc/66/77/01/395667701.db2.gz AWXYDXCFVUAHEC-KRWDZBQOSA-N 0 3 294.402 2.268 20 30 CEEDHN Cc1cc(CN2C[C@@H](C)N(C)C[C@@H]2C)ccc1C#N ZINC000488110399 395668220 /nfs/dbraw/zinc/66/82/20/395668220.db2.gz DNBVNXGSJNCZTN-KGLIPLIRSA-N 0 3 257.381 2.391 20 30 CEEDHN C#C[C@H](C)N(C)CCC(=O)Nc1ccccc1OCC ZINC000491438344 395669545 /nfs/dbraw/zinc/66/95/45/395669545.db2.gz BSKAKZSOYNINIO-ZDUSSCGKSA-N 0 3 274.364 2.367 20 30 CEEDHN C#C[C@H](CC)NCc1ccccc1N1CCOCC1 ZINC000491474093 395669843 /nfs/dbraw/zinc/66/98/43/395669843.db2.gz JYLVDBIQCQERPV-OAHLLOKOSA-N 0 3 258.365 2.025 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(C#N)cc2)CN1C1CC1 ZINC000492102626 395670916 /nfs/dbraw/zinc/67/09/16/395670916.db2.gz HYZMLRHWHZUINO-XHTKRDSESA-N 0 3 295.386 2.313 20 30 CEEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647295240 395699334 /nfs/dbraw/zinc/69/93/34/395699334.db2.gz DFOFBZDGAAXICP-STQMWFEESA-N 0 3 263.385 2.055 20 30 CEEDHN C=CCC[C@H](O)CN(Cc1cnn(CC)c1)C(C)C ZINC000649812862 396263887 /nfs/dbraw/zinc/26/38/87/396263887.db2.gz LLFRFFVPNXMHKT-HNNXBMFYSA-N 0 3 265.401 2.441 20 30 CEEDHN C=CCN1CC[C@H](N2CCc3ccccc3[C@@H](C)C2)C1=O ZINC000649835942 396271753 /nfs/dbraw/zinc/27/17/53/396271753.db2.gz WKFQNYYSHJGGMA-YOEHRIQHSA-N 0 3 284.403 2.435 20 30 CEEDHN C=CCC[C@H](O)CN[C@@H](CCO)c1ccccc1F ZINC000646068432 396283058 /nfs/dbraw/zinc/28/30/58/396283058.db2.gz SBHDTLSQOBBLGQ-WFASDCNBSA-N 0 3 267.344 2.166 20 30 CEEDHN CC#CCN1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000646072969 396284032 /nfs/dbraw/zinc/28/40/32/396284032.db2.gz MEZGIVPGFXREJF-SJORKVTESA-N 0 3 257.377 2.468 20 30 CEEDHN COCC#CCN1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000646073824 396284516 /nfs/dbraw/zinc/28/45/16/396284516.db2.gz JPEHPFIBSOVHQM-ZWKOTPCHSA-N 0 3 287.403 2.094 20 30 CEEDHN C=CCCCCCN(C)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000150883451 400281968 /nfs/dbraw/zinc/28/19/68/400281968.db2.gz FWSISLDDRAVMSM-CABCVRRESA-N 0 3 282.428 2.348 20 30 CEEDHN CC(C)N1CC[C@H](N(C)c2ncc3c(c2C#N)CCC3)C1 ZINC000425271984 400574199 /nfs/dbraw/zinc/57/41/99/400574199.db2.gz WAULOHRDXGVYCG-AWEZNQCLSA-N 0 3 284.407 2.361 20 30 CEEDHN C=CCCCNC(=O)N(C)CCN1CCCCC1 ZINC000651068213 401258002 /nfs/dbraw/zinc/25/80/02/401258002.db2.gz NJKRCAIROVAYMJ-UHFFFAOYSA-N 0 3 253.390 2.080 20 30 CEEDHN C=CC[C@@H]1CC[C@@H](NCc2ccnc(N(C)C)n2)C1 ZINC000651748458 401383138 /nfs/dbraw/zinc/38/31/38/401383138.db2.gz MOWHWTWREWQBPR-CHWSQXEVSA-N 0 3 260.385 2.377 20 30 CEEDHN C[C@H](C(=O)N(CCN(C)C)C1CC1)c1cccc(C#N)c1 ZINC000360654309 155343686 /nfs/dbraw/zinc/34/36/86/155343686.db2.gz UBTPSHBBKBLOIQ-ZDUSSCGKSA-N 0 3 285.391 2.214 20 30 CEEDHN C[C@@H]1CC[C@H](CN[C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360676079 155349896 /nfs/dbraw/zinc/34/98/96/155349896.db2.gz MVZMAZQBLWWODU-OSAQELSMSA-N 0 3 271.364 2.110 20 30 CEEDHN CC(=O)NC1CCC(N(C)Cc2ccccc2C#N)CC1 ZINC000344093726 154273594 /nfs/dbraw/zinc/27/35/94/154273594.db2.gz LCDSBCLEZSMLIA-UHFFFAOYSA-N 0 3 285.391 2.437 20 30 CEEDHN Cc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1C#N ZINC000367255940 156153492 /nfs/dbraw/zinc/15/34/92/156153492.db2.gz ZDWYGRVDIFYMHJ-INIZCTEOSA-N 0 3 283.375 2.177 20 30 CEEDHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C1CC1)c1cccc(C#N)c1 ZINC000367372739 156176679 /nfs/dbraw/zinc/17/66/79/156176679.db2.gz ABHDNCIPQSDJBL-XNJJOIOASA-N 0 3 283.375 2.266 20 30 CEEDHN Cc1cc(NC(=O)CCN(C)Cc2cccc(C#N)c2)no1 ZINC000026329060 162289127 /nfs/dbraw/zinc/28/91/27/162289127.db2.gz IGAQYANXPFZJNZ-UHFFFAOYSA-N 0 3 298.346 2.315 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2Cc3ccccc3[C@H]2O)c1 ZINC000172068014 162399467 /nfs/dbraw/zinc/39/94/67/162399467.db2.gz UZSRYTYZFSUDTR-IAGOWNOFSA-N 0 3 264.328 2.306 20 30 CEEDHN C[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1cccc(C#N)c1 ZINC000284168259 195995228 /nfs/dbraw/zinc/99/52/28/195995228.db2.gz QOBGVFAPRKNVQW-TZMCWYRMSA-N 0 3 292.404 2.034 20 30 CEEDHN CNC(=O)CC[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000285394959 196270660 /nfs/dbraw/zinc/27/06/60/196270660.db2.gz ANWMMSLBOSFFHL-INIZCTEOSA-N 0 3 285.391 2.439 20 30 CEEDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NCc1cccc(C#N)c1 ZINC000285613618 196344368 /nfs/dbraw/zinc/34/43/68/196344368.db2.gz XNABWNSKHUTZLM-GDBMZVCRSA-N 0 3 285.391 2.341 20 30 CEEDHN C=CCCn1cc(CNC[C@@]2(C)CCO[C@H]2C2CC2)nn1 ZINC000657436638 414936099 /nfs/dbraw/zinc/93/60/99/414936099.db2.gz FDBYEQFKSJEVDA-JKSUJKDBSA-N 0 3 290.411 2.149 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H](CC)C2CC2)CC1 ZINC000660703845 414941630 /nfs/dbraw/zinc/94/16/30/414941630.db2.gz IMAARAQNDKLZPS-CQSZACIVSA-N 0 3 265.401 2.125 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCN(CC)C1CC1 ZINC000660587923 414888530 /nfs/dbraw/zinc/88/85/30/414888530.db2.gz WZEQWECDPSNBGP-GASCZTMLSA-N 0 3 277.412 2.363 20 30 CEEDHN C=CCCn1cc(CNC[C@@H](C)CC(F)F)nn1 ZINC000657498056 414975887 /nfs/dbraw/zinc/97/58/87/414975887.db2.gz LTCVXYFOURXXIT-JTQLQIEISA-N 0 3 258.316 2.235 20 30 CEEDHN C=CCCn1cc(CN[C@@H](C2CC2)C2CCOCC2)nn1 ZINC000657501109 414979342 /nfs/dbraw/zinc/97/93/42/414979342.db2.gz PJEDAIQLVNAXCJ-INIZCTEOSA-N 0 3 290.411 2.149 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc2ccccc2n1 ZINC000660723208 414946879 /nfs/dbraw/zinc/94/68/79/414946879.db2.gz VBGPSFRFNVHQRG-CABCVRRESA-N 0 3 255.321 2.063 20 30 CEEDHN C=CCCn1cc(CNC[C@@H]2CCO[C@@H](C(C)C)C2)nn1 ZINC000657482155 414964489 /nfs/dbraw/zinc/96/44/89/414964489.db2.gz RQLWEDIGCZVBCN-GDBMZVCRSA-N 0 3 292.427 2.395 20 30 CEEDHN C=CCCn1cc(CN[C@@H](CCO)C2CCCCC2)nn1 ZINC000653608982 415051397 /nfs/dbraw/zinc/05/13/97/415051397.db2.gz RNUSSNWKGUMMSI-INIZCTEOSA-N 0 3 292.427 2.275 20 30 CEEDHN C=CCCn1cc(CNC[C@@H]2CCC[C@H]3C[C@H]32)nn1 ZINC000657655688 415038109 /nfs/dbraw/zinc/03/81/09/415038109.db2.gz DYQRCMYGBXGPBR-KCQAQPDRSA-N 0 3 260.385 2.380 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC3CC2(C)C3)CC1 ZINC000664014983 415123548 /nfs/dbraw/zinc/12/35/48/415123548.db2.gz BNQMVAPLRPLGIT-UHFFFAOYSA-N 0 3 277.412 2.221 20 30 CEEDHN CC(C#N)C(=O)NCc1cccc(Br)c1 ZINC000044824197 175259507 /nfs/dbraw/zinc/25/95/07/175259507.db2.gz NSFQGIFAFGLPGT-MRVPVSSYSA-N 0 3 267.126 2.225 20 30 CEEDHN N#CCc1cccc(C(=O)NC2CCN(C3CC3)CC2)c1 ZINC000045059460 175298025 /nfs/dbraw/zinc/29/80/25/175298025.db2.gz OCHXDWYOJBMWEW-UHFFFAOYSA-N 0 3 283.375 2.109 20 30 CEEDHN C=CCCC(C)(C)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000664310709 415272512 /nfs/dbraw/zinc/27/25/12/415272512.db2.gz SHUDVYWVTBFDNP-HNNXBMFYSA-N 0 3 299.484 2.468 20 30 CEEDHN C=CCC1(NC(=O)NCCN(C)CCCOC)CCCC1 ZINC000664219066 415230887 /nfs/dbraw/zinc/23/08/87/415230887.db2.gz LOQBYXYBZNPZMR-UHFFFAOYSA-N 0 3 297.443 2.143 20 30 CEEDHN C=CC[C@H]1CCCN(Cc2cc(=O)n3ccccc3n2)C1 ZINC000661379441 415231781 /nfs/dbraw/zinc/23/17/81/415231781.db2.gz BVEKZGRWQYVWCV-AWEZNQCLSA-N 0 3 283.375 2.483 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000661496021 415292910 /nfs/dbraw/zinc/29/29/10/415292910.db2.gz KLLAHFFDYBLASK-BHYGNILZSA-N 0 3 294.439 2.158 20 30 CEEDHN Cc1csc(C(C#N)C(=O)c2cnc3n2CCC3)n1 ZINC000659010435 415383499 /nfs/dbraw/zinc/38/34/99/415383499.db2.gz NAXRYIYRIKZTJR-VIFPVBQESA-N 0 3 272.333 2.084 20 30 CEEDHN C=CCN(C(=O)Nc1cccc(CN)c1)[C@H](C)COC ZINC000659017823 415388932 /nfs/dbraw/zinc/38/89/32/415388932.db2.gz ITLHLAQHAMHOAN-GFCCVEGCSA-N 0 3 277.368 2.200 20 30 CEEDHN C=CCNC(=O)CN[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661844554 415494887 /nfs/dbraw/zinc/49/48/87/415494887.db2.gz COTMZILHJNMNHH-QWHCGFSZSA-N 0 3 280.412 2.005 20 30 CEEDHN C=CCN(C(=O)C[C@@H]1NCc2ccccc21)[C@@H](C)COC ZINC000659339695 415528103 /nfs/dbraw/zinc/52/81/03/415528103.db2.gz KNPSJNUILVIMDE-BBRMVZONSA-N 0 3 288.391 2.271 20 30 CEEDHN C=CCC[C@@H](NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccco1 ZINC000665292705 415679620 /nfs/dbraw/zinc/67/96/20/415679620.db2.gz HWZFOVVJZJOYPP-GFCCVEGCSA-N 0 3 288.351 2.031 20 30 CEEDHN C=C(C)CN(CC)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000659829001 415711363 /nfs/dbraw/zinc/71/13/63/415711363.db2.gz JFADHRCRBADTAA-BFHYXJOUSA-N 0 3 250.386 2.332 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC2(CC1)OCCc1ccccc12 ZINC000656570572 415770561 /nfs/dbraw/zinc/77/05/61/415770561.db2.gz GUCDDSHKEIOHRP-KRWDZBQOSA-N 0 3 287.403 2.487 20 30 CEEDHN C=CCOCCNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000662711091 415939114 /nfs/dbraw/zinc/93/91/14/415939114.db2.gz MGWPAHHYOGADFS-CQSZACIVSA-N 0 3 276.380 2.031 20 30 CEEDHN CCN(CCC#N)C(=O)CN(C)C1CCCCCC1 ZINC000076826747 177111289 /nfs/dbraw/zinc/11/12/89/177111289.db2.gz LXYYDFOWCZOGSW-UHFFFAOYSA-N 0 3 265.401 2.403 20 30 CEEDHN COc1cc(C#N)ccc1OCCN(C)C[C@H]1CCCO1 ZINC000077277133 177247738 /nfs/dbraw/zinc/24/77/38/177247738.db2.gz UAPLBNQXDQUPQC-CQSZACIVSA-N 0 3 290.363 2.056 20 30 CEEDHN C=CCCCN(C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000077593408 177283165 /nfs/dbraw/zinc/28/31/65/177283165.db2.gz GEFUMGOGWLQLGV-LBPRGKRZSA-N 0 3 253.390 2.077 20 30 CEEDHN CC(C#N)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000347039962 226024126 /nfs/dbraw/zinc/02/41/26/226024126.db2.gz QZSLLUHTYQATER-JTQLQIEISA-N 0 3 280.249 2.333 20 30 CEEDHN CC(C#N)C(=O)NCCc1cc(Br)ccc1F ZINC000347040846 226024257 /nfs/dbraw/zinc/02/42/57/226024257.db2.gz RUPTXGKOHRTFRC-MRVPVSSYSA-N 0 3 299.143 2.407 20 30 CEEDHN COCCN(CCC(C)(C)C#N)[C@H]1CCO[C@H]1C ZINC000347132354 226039336 /nfs/dbraw/zinc/03/93/36/226039336.db2.gz PBGZWOOMYAYFCZ-STQMWFEESA-N 0 3 254.374 2.052 20 30 CEEDHN CCn1ncnc1CNC(=O)[C@H](C)N1CCCCCC1 ZINC000330042295 228025237 /nfs/dbraw/zinc/02/52/37/228025237.db2.gz DNYUUVRWXVSMHA-LBPRGKRZSA-N 0 3 279.388 2.019 20 30 CEEDHN Cn1nc2c(c1NC(=O)CC1CCN(C)CC1)CCC2 ZINC000330131137 228046526 /nfs/dbraw/zinc/04/65/26/228046526.db2.gz KTUKHIALZRKSFY-UHFFFAOYSA-N 0 3 276.384 2.229 20 30 CEEDHN CC(C#N)C(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000336047914 228182297 /nfs/dbraw/zinc/18/22/97/228182297.db2.gz YLTQMQUMVMAVJA-MFKMUULPSA-N 0 3 278.739 2.400 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000185655610 260003787 /nfs/dbraw/zinc/00/37/87/260003787.db2.gz PGSUHHBLRUPGIB-IHRRRGAJSA-N 0 3 252.402 2.387 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCCc2ccccc2C1 ZINC000297556570 260128400 /nfs/dbraw/zinc/12/84/00/260128400.db2.gz RNZIMYGNSSHBLM-UHFFFAOYSA-N 0 3 299.418 2.100 20 30 CEEDHN C[C@@H](C#N)CN(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000297956468 260138541 /nfs/dbraw/zinc/13/85/41/260138541.db2.gz WCKJMFXKWIVZKF-HOCLYGCPSA-N 0 3 257.381 2.352 20 30 CEEDHN CC(C)CN1CCCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000363378967 260146767 /nfs/dbraw/zinc/14/67/67/260146767.db2.gz IHDFWSXDKRYVNZ-UHFFFAOYSA-N 0 3 277.412 2.261 20 30 CEEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000298689445 260161896 /nfs/dbraw/zinc/16/18/96/260161896.db2.gz YNSQGQNRWMMZQB-HOCLYGCPSA-N 0 3 298.386 2.036 20 30 CEEDHN N#Cc1ccc([C@@H](C(N)=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000426771154 260305918 /nfs/dbraw/zinc/30/59/18/260305918.db2.gz ZEXOQPGDRQNONC-XHSDSOJGSA-N 0 3 283.375 2.207 20 30 CEEDHN N#CC1(c2ccccc2)CC(NCC2(O)CCC2)C1 ZINC000127387354 260362443 /nfs/dbraw/zinc/36/24/43/260362443.db2.gz BGJJLKHYNCBDMS-UHFFFAOYSA-N 0 3 256.349 2.115 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1CCC(C#N)CC1 ZINC000408428567 260854228 /nfs/dbraw/zinc/85/42/28/260854228.db2.gz DZWOLLYTVBPPRZ-LMRVLLHPSA-N 0 3 277.412 2.305 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CCC[C@@H]2CCCC[C@H]21)C1CC1 ZINC000302745055 261354371 /nfs/dbraw/zinc/35/43/71/261354371.db2.gz FIGBNFXAISPBBV-YSVLISHTSA-N 0 3 289.423 2.449 20 30 CEEDHN CC#CCCN1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000364022124 262104680 /nfs/dbraw/zinc/10/46/80/262104680.db2.gz ITRDTQWTXGPOJW-LBPRGKRZSA-N 0 3 277.393 2.207 20 30 CEEDHN N#C[C@H]1CCC[C@H](NCc2cccnc2-n2ccnc2)C1 ZINC000192654435 262207121 /nfs/dbraw/zinc/20/71/21/262207121.db2.gz AHEPBTJTFNSTHQ-ZFWWWQNUSA-N 0 3 281.363 2.439 20 30 CEEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)CC#N ZINC000364916137 262264955 /nfs/dbraw/zinc/26/49/55/262264955.db2.gz OWIDUKHPNTYFAQ-CQSZACIVSA-N 0 3 271.364 2.023 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)c1cccc(F)c1C#N ZINC000188221111 262285739 /nfs/dbraw/zinc/28/57/39/262285739.db2.gz ZKCYDRINMDTTEO-GFCCVEGCSA-N 0 3 289.354 2.302 20 30 CEEDHN COC(=O)[C@]1(C)CCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000488192544 262298904 /nfs/dbraw/zinc/29/89/04/262298904.db2.gz AIXMSKAAHBKQDD-MRXNPFEDSA-N 0 3 272.348 2.252 20 30 CEEDHN OCC1(NCC#Cc2ccccc2)Cc2ccccc2C1 ZINC000365264550 262356558 /nfs/dbraw/zinc/35/65/58/262356558.db2.gz GSTCLEPKZTZLDN-UHFFFAOYSA-N 0 3 277.367 2.158 20 30 CEEDHN CC(C)(C#N)CCCCN1CCN(C[C@@H]2CCOC2)CC1 ZINC000336845524 262399027 /nfs/dbraw/zinc/39/90/27/262399027.db2.gz XXOTZUVMCPAUTM-INIZCTEOSA-N 0 3 293.455 2.361 20 30 CEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C ZINC000413824141 262789462 /nfs/dbraw/zinc/78/94/62/262789462.db2.gz BTVQPAQZDYZXMJ-MRXNPFEDSA-N 0 3 289.423 2.377 20 30 CEEDHN C=CCCCN1C[C@H](C)N(CCCC=C)C[C@@H]1C(=O)OC ZINC000451695687 262911885 /nfs/dbraw/zinc/91/18/85/262911885.db2.gz FBSZHGOCMLUXTQ-JKSUJKDBSA-N 0 3 294.439 2.467 20 30 CEEDHN N#CCSCCCN[C@H](CO)c1ccc(F)cc1 ZINC000273157448 263013438 /nfs/dbraw/zinc/01/34/38/263013438.db2.gz YNEXTWILOIWIRW-CYBMUJFWSA-N 0 3 268.357 2.096 20 30 CEEDHN COc1ccc([C@H](CCC#N)NCC[C@H](C)O)cc1 ZINC000273833663 263019689 /nfs/dbraw/zinc/01/96/89/263019689.db2.gz YTFIHQJASWDYRJ-WFASDCNBSA-N 0 3 262.353 2.401 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](CC(C)(C)C)C1 ZINC000452075598 263034373 /nfs/dbraw/zinc/03/43/73/263034373.db2.gz IFQFHVUVCJIFAN-STQMWFEESA-N 0 3 252.402 2.435 20 30 CEEDHN CN(C)C1(CNC(=O)CC(C)(C)C#N)Cc2ccccc2C1 ZINC000278309738 263046806 /nfs/dbraw/zinc/04/68/06/263046806.db2.gz IRNNEAXYQBQVQY-UHFFFAOYSA-N 0 3 299.418 2.142 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCCC2)cc1 ZINC000279360540 263055007 /nfs/dbraw/zinc/05/50/07/263055007.db2.gz KKABHUGKTXCOFL-AWEZNQCLSA-N 0 3 267.332 2.299 20 30 CEEDHN C[C@H](NC(=O)C1(C#N)CCC1)[C@@H](c1ccccc1)N(C)C ZINC000280137417 263059138 /nfs/dbraw/zinc/05/91/38/263059138.db2.gz VPZZAWWOWLWJSP-ZFWWWQNUSA-N 0 3 285.391 2.488 20 30 CEEDHN C[C@@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)N(C)C ZINC000280146186 263059523 /nfs/dbraw/zinc/05/95/23/263059523.db2.gz DZFQSCZFSPLALG-LBPRGKRZSA-N 0 3 273.380 2.168 20 30 CEEDHN CN(C)CC1(NC(=O)c2ccc(C3(C#N)CC3)cc2)CCC1 ZINC000280995887 263065558 /nfs/dbraw/zinc/06/55/58/263065558.db2.gz CULPNWNKKJHZOL-UHFFFAOYSA-N 0 3 297.402 2.456 20 30 CEEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CCSC1 ZINC000281518934 263069827 /nfs/dbraw/zinc/06/98/27/263069827.db2.gz JBQWXXTVELMYRS-CABCVRRESA-N 0 3 299.399 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IVQQWGBLCKJQJW-SYEHKZFSSA-N 0 3 264.369 2.041 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC(=O)N2)CN1C1CC1 ZINC000328781619 263870215 /nfs/dbraw/zinc/87/02/15/263870215.db2.gz HKOAWQCGBWKPKX-JFGNBEQYSA-N 0 3 265.357 2.077 20 30 CEEDHN Cc1ncc(C(=O)NCC(C)(C)N2CCCCC2)[nH]1 ZINC000330460922 263941603 /nfs/dbraw/zinc/94/16/03/263941603.db2.gz ROAZORCVGLZWRL-UHFFFAOYSA-N 0 3 264.373 2.287 20 30 CEEDHN Cc1ncc(C(=O)NC[C@H]2CCN(C)C2)c(C(C)C)n1 ZINC000330783637 264052462 /nfs/dbraw/zinc/05/24/62/264052462.db2.gz INGLJVVFVFILPY-GFCCVEGCSA-N 0 3 276.384 2.165 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000331004457 264105839 /nfs/dbraw/zinc/10/58/39/264105839.db2.gz XGOLCOSAKDIZEG-UHFFFAOYSA-N 0 3 274.368 2.313 20 30 CEEDHN COC(=O)c1ccc(C(=O)NC2CCN(C)CC2)c(F)c1 ZINC000331056363 264109491 /nfs/dbraw/zinc/10/94/91/264109491.db2.gz LGUGHYSWGDNXAH-UHFFFAOYSA-N 0 3 294.326 2.011 20 30 CEEDHN CC[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCO1 ZINC000331193297 264158079 /nfs/dbraw/zinc/15/80/79/264158079.db2.gz MFSFUWHNCYJXQD-CVEARBPZSA-N 0 3 286.375 2.396 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@H](O)[C@@H](C)C2)c1 ZINC000190067920 264346226 /nfs/dbraw/zinc/34/62/26/264346226.db2.gz WYAKEISYWUVWDC-BBRMVZONSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCc1cc(CN2CC[C@H](O)[C@@H](C)C2)cc(OC)c1O ZINC000190052975 264346682 /nfs/dbraw/zinc/34/66/82/264346682.db2.gz BFLYIRCSVSZXDP-WFASDCNBSA-N 0 3 291.391 2.332 20 30 CEEDHN C=CCOc1ccc(CNC(=O)[C@H](CC)N(C)C)cc1 ZINC000286143344 264576735 /nfs/dbraw/zinc/57/67/35/264576735.db2.gz ZNFRWHKBOIXBLI-HNNXBMFYSA-N 0 3 276.380 2.208 20 30 CEEDHN C#CCN(CC)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000287729506 264635502 /nfs/dbraw/zinc/63/55/02/264635502.db2.gz BSZNXYHQVQFSFL-GOEBONIOSA-N 0 3 287.407 2.343 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](CC=C)c1ccccc1 ZINC000294048554 265005555 /nfs/dbraw/zinc/00/55/55/265005555.db2.gz TYKOSCBJPVSTCV-QGZVFWFLSA-N 0 3 284.403 2.418 20 30 CEEDHN CC#CCN(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000297208632 265041481 /nfs/dbraw/zinc/04/14/81/265041481.db2.gz WPJVPTFSRYLGIO-QGZVFWFLSA-N 0 3 299.418 2.316 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000356903677 266208643 /nfs/dbraw/zinc/20/86/43/266208643.db2.gz BDVGOQVCCCFNSU-PHDIDXHHSA-N 0 3 263.244 2.022 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114495372 266309604 /nfs/dbraw/zinc/30/96/04/266309604.db2.gz GGMZIOPWFMWEBV-ZBFHGGJFSA-N 0 3 262.397 2.499 20 30 CEEDHN CC(C#N)C(=O)N(C)CCOc1cccc(Cl)c1 ZINC000357798423 266364861 /nfs/dbraw/zinc/36/48/61/266364861.db2.gz LJFDESLSXBETLA-JTQLQIEISA-N 0 3 266.728 2.337 20 30 CEEDHN CC(C)OC(=O)C[C@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000357799649 266366331 /nfs/dbraw/zinc/36/63/31/266366331.db2.gz MUGAWSSJOXWJMH-JSGCOSHPSA-N 0 3 288.347 2.345 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cc(F)ccc1OC ZINC000360952276 266760361 /nfs/dbraw/zinc/76/03/61/266760361.db2.gz YOLNRZOBAVQEQC-LLVKDONJSA-N 0 3 253.317 2.109 20 30 CEEDHN CCCN(Cc1ccc(C#N)cc1)[C@@H]1CCCN(C)C1=O ZINC000517221995 267015470 /nfs/dbraw/zinc/01/54/70/267015470.db2.gz FLOFBBIUGPMDMN-MRXNPFEDSA-N 0 3 285.391 2.391 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000362621501 267024843 /nfs/dbraw/zinc/02/48/43/267024843.db2.gz HKXWQNSNNLLNAO-HOCLYGCPSA-N 0 3 284.444 2.308 20 30 CEEDHN CC[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(C#N)cc1 ZINC000447540657 267196339 /nfs/dbraw/zinc/19/63/39/267196339.db2.gz KDACUOLDYRTDEN-HUUCEWRRSA-N 0 3 271.364 2.220 20 30 CEEDHN C#CCCCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000368688250 267197330 /nfs/dbraw/zinc/19/73/30/267197330.db2.gz NTMWUCBBEBAYCF-HNNXBMFYSA-N 0 3 268.376 2.119 20 30 CEEDHN C[C@H](CNC(=O)OC(C)(C)C)N(C)CCCC#N ZINC000171956522 335086682 /nfs/dbraw/zinc/08/66/82/335086682.db2.gz CMGRPKQNJTYCAC-LLVKDONJSA-N 0 3 255.362 2.135 20 30 CEEDHN CCCN1CCCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000368737539 267201044 /nfs/dbraw/zinc/20/10/44/267201044.db2.gz VJIWBJKOPCXIIL-UHFFFAOYSA-N 0 3 263.385 2.015 20 30 CEEDHN CC[C@](C)(CNCc1cnc2ccc(C#N)cn12)OC ZINC000449480174 267238189 /nfs/dbraw/zinc/23/81/89/267238189.db2.gz XOVMIGJRNNJGOY-OAHLLOKOSA-N 0 3 272.352 2.111 20 30 CEEDHN CC[C@H]1CN(CCCSCC#N)C[C@]2(CCCOC2)O1 ZINC000369805867 267267797 /nfs/dbraw/zinc/26/77/97/267267797.db2.gz QIKUILZVULDPKY-GJZGRUSLSA-N 0 3 298.452 2.293 20 30 CEEDHN CC1(C)CN(CCCSCC#N)C[C@]2(CCCOC2)O1 ZINC000370041261 267286363 /nfs/dbraw/zinc/28/63/63/267286363.db2.gz PMWFTTJNXTUXCT-HNNXBMFYSA-N 0 3 298.452 2.293 20 30 CEEDHN CN(Cc1ccc(C#N)cc1OC(F)F)CC(C)(C)O ZINC000437898587 267314571 /nfs/dbraw/zinc/31/45/71/267314571.db2.gz BJCBNYXRIROWNL-UHFFFAOYSA-N 0 3 284.306 2.362 20 30 CEEDHN COC(=O)CC1(NCc2ccc(C#N)c(OC)c2)CCC1 ZINC000442841379 267360194 /nfs/dbraw/zinc/36/01/94/267360194.db2.gz MKVZSWHULIJWSW-UHFFFAOYSA-N 0 3 288.347 2.142 20 30 CEEDHN C#CCC(C)(C)C(=O)N1CCCN(CC(C)C)CC1 ZINC000376956374 268033680 /nfs/dbraw/zinc/03/36/80/268033680.db2.gz RLAOPWOXIHWDFP-UHFFFAOYSA-N 0 3 264.413 2.226 20 30 CEEDHN N#Cc1ccc(CNCC2(CCO)CCC2)cc1F ZINC000421337982 268231617 /nfs/dbraw/zinc/23/16/17/268231617.db2.gz BMYYDLUHKZTVAJ-UHFFFAOYSA-N 0 3 262.328 2.340 20 30 CEEDHN N#Cc1ccc([C@H](NCC[C@H]2CC=CCC2)C(N)=O)cc1 ZINC000530133700 268263673 /nfs/dbraw/zinc/26/36/73/268263673.db2.gz DBHSPRKKMHOSME-BBRMVZONSA-N 0 3 283.375 2.421 20 30 CEEDHN N#Cc1cccc(OCCN2CC3(CCC3)[C@@H]3COC[C@H]32)c1 ZINC000459713248 268284420 /nfs/dbraw/zinc/28/44/20/268284420.db2.gz KSOFCHWXLOXIEI-IAGOWNOFSA-N 0 3 298.386 2.438 20 30 CEEDHN COc1ccc(CN2C[C@H](C)C[C@@H](CO)C2)cc1C#N ZINC000398683132 270361188 /nfs/dbraw/zinc/36/11/88/270361188.db2.gz ZAIQOIQLIJBCDE-TZMCWYRMSA-N 0 3 274.364 2.017 20 30 CEEDHN CNC(=O)[C@H]1CCC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000348187746 273955469 /nfs/dbraw/zinc/95/54/69/273955469.db2.gz SSSVXBBGAXRMOX-GJZGRUSLSA-N 0 3 290.794 2.196 20 30 CEEDHN CS[C@H](CO)[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353252747 274184280 /nfs/dbraw/zinc/18/42/80/274184280.db2.gz JREUVMZAKWINID-VCTAVGKDSA-N 0 3 276.405 2.248 20 30 CEEDHN CCOC1(C)CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000298323507 276308041 /nfs/dbraw/zinc/30/80/41/276308041.db2.gz QYSOFJIDOXYLKW-INIZCTEOSA-N 0 3 288.391 2.483 20 30 CEEDHN CC(=O)Nc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000349821567 277075900 /nfs/dbraw/zinc/07/59/00/277075900.db2.gz MKAZCPPXWVSIAG-UKRRQHHQSA-N 0 3 257.337 2.427 20 30 CEEDHN CC(C)(C#N)CCN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000347072510 278257640 /nfs/dbraw/zinc/25/76/40/278257640.db2.gz FGZAXMLPCWWGGY-HNNXBMFYSA-N 0 3 266.385 2.196 20 30 CEEDHN CC[C@H](N[C@@H](C)C[S@](C)=O)c1ccc(C#N)cc1 ZINC000278642034 288059693 /nfs/dbraw/zinc/05/96/93/288059693.db2.gz HPXHBAVKKUBCJH-MIUNTBIASA-N 0 3 264.394 2.366 20 30 CEEDHN Cc1nc(N(C)[C@@H]2CCN(C)C[C@@H]2C)ccc1C#N ZINC000291839373 279088649 /nfs/dbraw/zinc/08/86/49/279088649.db2.gz GRNCZQFLQWSNEJ-SMDDNHRTSA-N 0 3 258.369 2.038 20 30 CEEDHN C[C@H](CN1CCCC1=O)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353258718 279300420 /nfs/dbraw/zinc/30/04/20/279300420.db2.gz RLJXDIDRJAFDLS-WBMJQRKESA-N 0 3 283.375 2.146 20 30 CEEDHN CC(C)N(C)C(=O)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000336382144 279321270 /nfs/dbraw/zinc/32/12/70/279321270.db2.gz LKMZLGXDHCDKHO-HIFRSBDPSA-N 0 3 277.412 2.257 20 30 CEEDHN C[C@H](CO[C@@H]1CCOC1)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353249110 279362198 /nfs/dbraw/zinc/36/21/98/279362198.db2.gz CMAGFAIUINJTJF-VMGRFDJRSA-N 0 3 286.375 2.329 20 30 CEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1c(C#N)cccc1C#N ZINC000376205725 288709974 /nfs/dbraw/zinc/70/99/74/288709974.db2.gz SHZYWOQHIFZPCS-CJNGLKHVSA-N 0 3 280.375 2.493 20 30 CEEDHN C[C@H](NCCN1CCOC(C)(C)C1)c1ccc(C#N)cc1 ZINC000181701830 289959377 /nfs/dbraw/zinc/95/93/77/289959377.db2.gz SKEXFLJWSQUGOA-AWEZNQCLSA-N 0 3 287.407 2.320 20 30 CEEDHN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H](C1CC1)N1CCCC1 ZINC000329574643 295384902 /nfs/dbraw/zinc/38/49/02/295384902.db2.gz NVPRIENCBXFVLP-IUODEOHRSA-N 0 3 288.395 2.098 20 30 CEEDHN O=C(N[C@@H]1CCc2[nH]cnc2C1)[C@@H](C1CC1)N1CCCC1 ZINC000329574643 295384904 /nfs/dbraw/zinc/38/49/04/295384904.db2.gz NVPRIENCBXFVLP-IUODEOHRSA-N 0 3 288.395 2.098 20 30 CEEDHN C[C@H](NCCOC[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000539495039 298248887 /nfs/dbraw/zinc/24/88/87/298248887.db2.gz BUQLTNFXKGSQPO-XJKSGUPXSA-N 0 3 274.364 2.404 20 30 CEEDHN CO[C@@H]1C[C@H](NCc2ccc(C#N)cn2)C12CCC2 ZINC000563510450 298780871 /nfs/dbraw/zinc/78/08/71/298780871.db2.gz LZRQLUDEAIMALF-UONOGXRCSA-N 0 3 257.337 2.000 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000567380525 299059253 /nfs/dbraw/zinc/05/92/53/299059253.db2.gz BBBKLJKSLSFLPJ-GOEBONIOSA-N 0 3 298.390 2.425 20 30 CEEDHN CC[C@@H](O)[C@H]1CCCCN1Cc1ccc(C#N)cn1 ZINC000571294948 314083857 /nfs/dbraw/zinc/08/38/57/314083857.db2.gz KKANWHJQHHOPTC-HUUCEWRRSA-N 0 3 259.353 2.079 20 30 CEEDHN N#Cc1nccc(NC[C@@H](c2ccccc2)N2CCCC2)n1 ZINC000577626941 314397781 /nfs/dbraw/zinc/39/77/81/314397781.db2.gz ZFJLCALJYMYQBL-HNNXBMFYSA-N 0 3 293.374 2.019 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NC[C@H](O)c2ccsc2)C1 ZINC000185838156 327847579 /nfs/dbraw/zinc/84/75/79/327847579.db2.gz SANFFPFJMUPWIK-UHTWSYAYSA-N 0 3 250.367 2.453 20 30 CEEDHN N#C[C@@H]1N(CCN2CCCCC2)CCC[C@@]12CCCCO2 ZINC000366101306 327986499 /nfs/dbraw/zinc/98/64/99/327986499.db2.gz ZYVJSIJQWWKYQE-IRXDYDNUSA-N 0 3 291.439 2.400 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@]1(C)CCCO1)C(C)C ZINC000152067090 328056131 /nfs/dbraw/zinc/05/61/31/328056131.db2.gz NKLDBDGNEJMNFQ-NVXWUHKLSA-N 0 3 294.439 2.370 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@]1(C)CCCO1)C(C)C ZINC000152067013 328056160 /nfs/dbraw/zinc/05/61/60/328056160.db2.gz NKLDBDGNEJMNFQ-RDJZCZTQSA-N 0 3 294.439 2.370 20 30 CEEDHN N#CC(C(=O)c1cccc2[nH]c(=O)oc21)c1ccccn1 ZINC000152260890 328083214 /nfs/dbraw/zinc/08/32/14/328083214.db2.gz ARIAYGKIXDIOCP-SNVBAGLBSA-N 0 3 279.255 2.006 20 30 CEEDHN CC(C)(C#N)CCN1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412059397 328101646 /nfs/dbraw/zinc/10/16/46/328101646.db2.gz XCSNJLMVCVIHIS-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H](C)c1ccccc1 ZINC000571393901 328118341 /nfs/dbraw/zinc/11/83/41/328118341.db2.gz IUYLLSAMPIMSJB-IMJJTQAJSA-N 0 3 288.391 2.187 20 30 CEEDHN Cc1cc2ncc([C@H](C)NCCCC#N)c(C)n2n1 ZINC000273175091 328204354 /nfs/dbraw/zinc/20/43/54/328204354.db2.gz CSTSOMLPVCARJR-NSHDSACASA-N 0 3 257.341 2.301 20 30 CEEDHN C=CCCC[C@@H](C)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000452019021 328212555 /nfs/dbraw/zinc/21/25/55/328212555.db2.gz QVGAMLXWFBQZGV-ZIAGYGMSSA-N 0 3 267.417 2.467 20 30 CEEDHN CCn1ccnc1[C@H]1OCC[C@@H]1N[C@H]1CCC[C@H](C#N)C1 ZINC000278415392 328225634 /nfs/dbraw/zinc/22/56/34/328225634.db2.gz QRKNLRUOKKHZFU-AJNGGQMLSA-N 0 3 288.395 2.405 20 30 CEEDHN Cc1nnc(CCN[C@@H]2CCC[C@H](C#N)C2)s1 ZINC000289861847 328256569 /nfs/dbraw/zinc/25/65/69/328256569.db2.gz QYSCALNUPSRYQX-WDEREUQCSA-N 0 3 250.371 2.061 20 30 CEEDHN N#CCCN1CCN(c2ccnc3ccccc32)CC1 ZINC000298627324 328296936 /nfs/dbraw/zinc/29/69/36/328296936.db2.gz VMANGSMFLCYMES-UHFFFAOYSA-N 0 3 266.348 2.270 20 30 CEEDHN CO[C@H]1C[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C1(C)C ZINC000581014637 322362812 /nfs/dbraw/zinc/36/28/12/322362812.db2.gz NTLPULFIIDTNRN-KBPBESRZSA-N 0 3 289.335 2.370 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC(Nc2ccccn2)CC1 ZINC000534861930 328365572 /nfs/dbraw/zinc/36/55/72/328365572.db2.gz YNLAIRNSYMRBST-OAHLLOKOSA-N 0 3 275.396 2.285 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cn(-c2ccccc2)nc1C ZINC000341368521 328407049 /nfs/dbraw/zinc/40/70/49/328407049.db2.gz MGYCVBXXWLADJT-OAHLLOKOSA-N 0 3 285.391 2.455 20 30 CEEDHN CC(C)(CCC#N)CNCc1cn(Cc2cccnc2)nn1 ZINC000342308460 328418389 /nfs/dbraw/zinc/41/83/89/328418389.db2.gz XKIQMQVDGPLXMT-UHFFFAOYSA-N 0 3 298.394 2.141 20 30 CEEDHN C#C[C@@H](C)N[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000289537512 328526790 /nfs/dbraw/zinc/52/67/90/328526790.db2.gz QGZRCKJCCTXLSD-NEPJUHHUSA-N 0 3 290.363 2.032 20 30 CEEDHN CC1(C)C[C@]1(C#N)NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000584123285 327045596 /nfs/dbraw/zinc/04/55/96/327045596.db2.gz REZUFSANTKBOIF-CRAIPNDOSA-N 0 3 297.402 2.317 20 30 CEEDHN Cc1ccccc1OC[C@@H](O)CNCC1(CC#N)CC1 ZINC000569449723 327179069 /nfs/dbraw/zinc/17/90/69/327179069.db2.gz PXTWCFBAGWJNEI-AWEZNQCLSA-N 0 3 274.364 2.018 20 30 CEEDHN CCN(CC)c1ccc(/C=N/[C@@H](C(N)=O)C(C)C)c(O)c1 ZINC000107098981 327247657 /nfs/dbraw/zinc/24/76/57/327247657.db2.gz JXHPAWLGAYNJHB-BFERYNQYSA-N 0 3 291.395 2.167 20 30 CEEDHN C=CCCC(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000153013694 327309323 /nfs/dbraw/zinc/30/93/23/327309323.db2.gz YHWNIZITPRQVKK-UHFFFAOYSA-N 0 3 289.379 2.459 20 30 CEEDHN C[C@@H](NCC#Cc1cccc(C(F)(F)F)c1)[C@H](C)O ZINC000578618741 327346620 /nfs/dbraw/zinc/34/66/20/327346620.db2.gz PIABSOSDJHLUHO-MNOVXSKESA-N 0 3 271.282 2.416 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC2(CCC2)CC1 ZINC000377388545 329013715 /nfs/dbraw/zinc/01/37/15/329013715.db2.gz BMZDSZRZGQUEME-UHFFFAOYSA-N 0 3 263.385 2.015 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1C1CC1 ZINC000377534140 329016444 /nfs/dbraw/zinc/01/64/44/329016444.db2.gz PVYAPSLGJHPGTE-CQSZACIVSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCN(CC)Cc1cn(C)nc1-c1cccnc1 ZINC000378352502 329047396 /nfs/dbraw/zinc/04/73/96/329047396.db2.gz WAZDBYNTPKFLTK-UHFFFAOYSA-N 0 3 256.353 2.490 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cn(C(C)C)nc2C)CC1 ZINC000584359872 329101688 /nfs/dbraw/zinc/10/16/88/329101688.db2.gz QEYURRUJEMWCJM-UHFFFAOYSA-N 0 3 290.411 2.153 20 30 CEEDHN C=CCCCC(=O)N1CCN(C2CCCC2)CC1 ZINC000175233835 329166588 /nfs/dbraw/zinc/16/65/88/329166588.db2.gz AJYKCRCCQQRFNJ-UHFFFAOYSA-N 0 3 250.386 2.430 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2C)CC1 ZINC000176498078 329176004 /nfs/dbraw/zinc/17/60/04/329176004.db2.gz GPRSQVXMTUHPPA-CYBMUJFWSA-N 0 3 265.401 2.221 20 30 CEEDHN N#CCCCN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178046212 329192014 /nfs/dbraw/zinc/19/20/14/329192014.db2.gz MDLZTEVRPQPDDW-OAHLLOKOSA-N 0 3 285.391 2.432 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C)[C@@H]2C)CC1 ZINC000178669663 329201868 /nfs/dbraw/zinc/20/18/68/329201868.db2.gz PAOHSNBIOIJCSD-STQMWFEESA-N 0 3 265.401 2.077 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C)[C@@H]2C)CC1 ZINC000178669648 329201893 /nfs/dbraw/zinc/20/18/93/329201893.db2.gz PAOHSNBIOIJCSD-OLZOCXBDSA-N 0 3 265.401 2.077 20 30 CEEDHN N=C(NCc1ccn(C2CCCC2)n1)Nc1ccccn1 ZINC000179015413 329203822 /nfs/dbraw/zinc/20/38/22/329203822.db2.gz GKHDJQMMWBNDBD-UHFFFAOYSA-N 0 3 284.367 2.320 20 30 CEEDHN C=C(C)CN(C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000180375094 329215581 /nfs/dbraw/zinc/21/55/81/329215581.db2.gz METSOOTYEGAZAX-UHFFFAOYSA-N 0 3 275.396 2.466 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@H]1CCCCN1CC ZINC000181079462 329225687 /nfs/dbraw/zinc/22/56/87/329225687.db2.gz YPIFXKNDGIQVFH-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccc(OC)c(OC)c1OC ZINC000321411251 329353211 /nfs/dbraw/zinc/35/32/11/329353211.db2.gz JHYLMUPEBVLEOJ-ZDUSSCGKSA-N 0 3 295.379 2.129 20 30 CEEDHN C=CCn1c(SC[C@@H]2CCN(C)C2)nnc1C1CC1 ZINC000187662122 329360165 /nfs/dbraw/zinc/36/01/65/329360165.db2.gz KFLBLJDPTNOCRZ-LLVKDONJSA-N 0 3 278.425 2.385 20 30 CEEDHN C=C[C@@H](C)NC(=O)NC[C@@H](N)c1ccccc1CC ZINC000418644547 329538132 /nfs/dbraw/zinc/53/81/32/329538132.db2.gz CGZGFDLIORYMHC-BXUZGUMPSA-N 0 3 261.369 2.123 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@H](N)c1ccccc1CC ZINC000418658096 329538422 /nfs/dbraw/zinc/53/84/22/329538422.db2.gz VJVASDZDYAKBEM-HNNXBMFYSA-N 0 3 275.396 2.466 20 30 CEEDHN CC(C)(C)C(=O)NCCNC1CC(C#N)(c2ccccc2)C1 ZINC000127454188 329599811 /nfs/dbraw/zinc/59/98/11/329599811.db2.gz NDXFHGOLCCAQLZ-UHFFFAOYSA-N 0 3 299.418 2.362 20 30 CEEDHN CCc1cccc(OC[C@H](O)CNCC2(CC#N)CC2)c1 ZINC000571791330 329921197 /nfs/dbraw/zinc/92/11/97/329921197.db2.gz YKYGRRMMOLPTNF-OAHLLOKOSA-N 0 3 288.391 2.272 20 30 CEEDHN CC(C)(C#N)CNC(=N)Nc1cc(F)ccc1F ZINC000262271504 330003509 /nfs/dbraw/zinc/00/35/09/330003509.db2.gz ILGXWNZCXWWGAW-UHFFFAOYSA-N 0 3 252.268 2.241 20 30 CEEDHN C#CCN(CC)CCC(=O)Nc1ccccc1OCC ZINC000268960938 330067040 /nfs/dbraw/zinc/06/70/40/330067040.db2.gz YLGLCFOXQCCQCY-UHFFFAOYSA-N 0 3 274.364 2.369 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@]12CCOC2 ZINC000422080551 330120258 /nfs/dbraw/zinc/12/02/58/330120258.db2.gz ZQIHHIAWEPOPRU-WBVHZDCISA-N 0 3 284.359 2.150 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H](C)C[C@@H]1COCCN1 ZINC000422909390 330159650 /nfs/dbraw/zinc/15/96/50/330159650.db2.gz NXZBQQDBURHMET-GOEBONIOSA-N 0 3 290.407 2.108 20 30 CEEDHN CCCC[C@@H](CC)CNC(=O)[C@H](N)CCCC#N ZINC000424081785 330223561 /nfs/dbraw/zinc/22/35/61/330223561.db2.gz VRIYANFXMALHGG-CHWSQXEVSA-N 0 3 253.390 2.340 20 30 CEEDHN CC[C@H](CNC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424064893 330219050 /nfs/dbraw/zinc/21/90/50/330219050.db2.gz KJBMFQBHFOSKFL-HIFRSBDPSA-N 0 3 273.380 2.318 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000424072550 330220269 /nfs/dbraw/zinc/22/02/69/330220269.db2.gz YOIYSNBQMCCNKV-GFCCVEGCSA-N 0 3 256.309 2.128 20 30 CEEDHN COc1ccc([C@@H](C)N(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424077267 330221090 /nfs/dbraw/zinc/22/10/90/330221090.db2.gz BCPWRFFXSJXLFO-DOMZBBRYSA-N 0 3 289.379 2.236 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000424084105 330222512 /nfs/dbraw/zinc/22/25/12/330222512.db2.gz DLCGBENWDYXJPR-HUUCEWRRSA-N 0 3 271.364 2.024 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000424084005 330222702 /nfs/dbraw/zinc/22/27/02/330222702.db2.gz XXJKPFUAYMUPCV-KRWDZBQOSA-N 0 3 299.418 2.489 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1cc(F)c(F)cc1F ZINC000424085909 330223009 /nfs/dbraw/zinc/22/30/09/330223009.db2.gz PMEQUBPRDVZWKU-JTQLQIEISA-N 0 3 271.242 2.064 20 30 CEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1c(F)cccc1F ZINC000424099087 330231131 /nfs/dbraw/zinc/23/11/31/330231131.db2.gz LTDKZGQCUKYLMH-CABZTGNLSA-N 0 3 281.306 2.163 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc2ccccc2c1 ZINC000424101915 330233424 /nfs/dbraw/zinc/23/34/24/330233424.db2.gz PVXVTWYMGKMWAQ-MRXNPFEDSA-N 0 3 281.359 2.477 20 30 CEEDHN CCCC[C@@H]1CCC[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424110036 330237602 /nfs/dbraw/zinc/23/76/02/330237602.db2.gz BUSLTGSCZPGBMO-HZSPNIEDSA-N 0 3 265.401 2.483 20 30 CEEDHN C[C@@H]1CCC[C@@H](CCNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424121307 330249935 /nfs/dbraw/zinc/24/99/35/330249935.db2.gz FUKZRXIPKZNBIC-RDBSUJKOSA-N 0 3 265.401 2.340 20 30 CEEDHN Cc1c(CNC(=O)[C@@H](N)CCCC#N)oc2ccccc12 ZINC000424126025 330258871 /nfs/dbraw/zinc/25/88/71/330258871.db2.gz OLAVCJWOFDFSHH-ZDUSSCGKSA-N 0 3 285.347 2.379 20 30 CEEDHN CC[C@H](C)[C@@H](C)N(C(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000424146742 330293316 /nfs/dbraw/zinc/29/33/16/330293316.db2.gz XDEOIZQNTYMILR-SCRDCRAPSA-N 0 3 265.401 2.433 20 30 CEEDHN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)[C@@H](N)CCCC#N ZINC000424165217 330308921 /nfs/dbraw/zinc/30/89/21/330308921.db2.gz AENFIMDXJORAPX-BFHYXJOUSA-N 0 3 295.427 2.060 20 30 CEEDHN CCN(C(=O)[C@@H](N)CCCC#N)[C@H](C)c1cccnc1 ZINC000424165398 330309136 /nfs/dbraw/zinc/30/91/36/330309136.db2.gz BJOBIAMJMGFHKJ-OCCSQVGLSA-N 0 3 274.368 2.012 20 30 CEEDHN CCN(C(=O)[C@H](N)CCCC#N)[C@@H]1CCCC[C@H]1C ZINC000424197851 330326101 /nfs/dbraw/zinc/32/61/01/330326101.db2.gz XHEWWDWPLUJKKW-MGPQQGTHSA-N 0 3 265.401 2.435 20 30 CEEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H]2CCCF)nn1 ZINC000424292800 330335194 /nfs/dbraw/zinc/33/51/94/330335194.db2.gz HJTPYOHRZVMVJI-TZMCWYRMSA-N 0 3 266.364 2.472 20 30 CEEDHN CN(C)Cc1ccc(-c2noc([C@H](N)CCCC#N)n2)cc1 ZINC000424338967 330343860 /nfs/dbraw/zinc/34/38/60/330343860.db2.gz PHCHZNGYQOWHRT-CQSZACIVSA-N 0 3 299.378 2.492 20 30 CEEDHN CNCc1cccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424420807 330351119 /nfs/dbraw/zinc/35/11/19/330351119.db2.gz WSULAJNJAVUMAE-SMDDNHRTSA-N 0 3 272.352 2.220 20 30 CEEDHN C=CCC1(C(=O)NCCN2CCC[C@H](C)C2)CCOCC1 ZINC000424586944 330390723 /nfs/dbraw/zinc/39/07/23/330390723.db2.gz GJXIFTOJOKATKS-HNNXBMFYSA-N 0 3 294.439 2.207 20 30 CEEDHN C[C@H](CC(=O)OC(C)(C)C)NCC1(CC#N)CC1 ZINC000430739618 330572079 /nfs/dbraw/zinc/57/20/79/330572079.db2.gz OHOVPBZOBAYXJF-LLVKDONJSA-N 0 3 252.358 2.390 20 30 CEEDHN CN(C)CCN(C)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000440246756 330746812 /nfs/dbraw/zinc/74/68/12/330746812.db2.gz TYAORUNZBVSPEK-OAHLLOKOSA-N 0 3 288.395 2.234 20 30 CEEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)C(=O)NCCc1ccccc1 ZINC000449580176 330938464 /nfs/dbraw/zinc/93/84/64/330938464.db2.gz NTKHPQZOQKBLSN-BPUTZDHNSA-N 0 3 285.391 2.016 20 30 CEEDHN C[C@@H](c1ccccc1)[C@@H](O)CN1CCC(C#N)CC1 ZINC000450317360 330972361 /nfs/dbraw/zinc/97/23/61/330972361.db2.gz KCUQYPNNRNPCGW-BBRMVZONSA-N 0 3 258.365 2.387 20 30 CEEDHN C=CCC[C@@H](CO)NCc1nc(-c2ccccc2)c[nH]1 ZINC000451251394 331021920 /nfs/dbraw/zinc/02/19/20/331021920.db2.gz VHKLOUYGWVMYSP-AWEZNQCLSA-N 0 3 271.364 2.493 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](SC)C1 ZINC000451323594 331024480 /nfs/dbraw/zinc/02/44/80/331024480.db2.gz VMJDHVLHWCHTRZ-QWHCGFSZSA-N 0 3 270.442 2.237 20 30 CEEDHN CC1(C#N)CN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000451374747 331026261 /nfs/dbraw/zinc/02/62/61/331026261.db2.gz KRBOFKLQUQVREK-CQSZACIVSA-N 0 3 275.396 2.156 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000451597450 331035608 /nfs/dbraw/zinc/03/56/08/331035608.db2.gz IIZHDKXULUSHHI-CFVMTHIKSA-N 0 3 280.412 2.099 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCN([C@@H](C)CC)CC1 ZINC000451830485 331043971 /nfs/dbraw/zinc/04/39/71/331043971.db2.gz YOEWICQZYAPRCN-HOTGVXAUSA-N 0 3 295.471 2.216 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452049145 331052113 /nfs/dbraw/zinc/05/21/13/331052113.db2.gz RMTFCVXQAOYISY-LVNYTYFRSA-N 0 3 289.423 2.115 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC(CF)CF ZINC000452739918 331074775 /nfs/dbraw/zinc/07/47/75/331074775.db2.gz DIFJUZKCJZRDTP-LBPRGKRZSA-N 0 3 266.291 2.183 20 30 CEEDHN C[C@H](CCCCO)NC(=O)C(C#N)CCc1ccccc1 ZINC000452986834 331082850 /nfs/dbraw/zinc/08/28/50/331082850.db2.gz MMYZYGUDTZCKCB-ZBFHGGJFSA-N 0 3 288.391 2.426 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000453359154 331122280 /nfs/dbraw/zinc/12/22/80/331122280.db2.gz NUPGZNJFEGMPAH-BNOWGMLFSA-N 0 3 275.348 2.452 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cnc(C)nc1C ZINC000453371256 331124068 /nfs/dbraw/zinc/12/40/68/331124068.db2.gz VPGMKHAQGNSIGA-GLQYFDAESA-N 0 3 261.369 2.478 20 30 CEEDHN C[C@@H](N[C@H]1CCC[C@@H](C#N)C1)C(=O)NCCc1ccccc1 ZINC000453421916 331130730 /nfs/dbraw/zinc/13/07/30/331130730.db2.gz ZNEPZBQQHWNDKN-OIISXLGYSA-N 0 3 299.418 2.406 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)Nc2cccc(CC#N)c2)CCCN1C ZINC000455904010 331180260 /nfs/dbraw/zinc/18/02/60/331180260.db2.gz JEPHAVPUHKMPSY-IUODEOHRSA-N 0 3 286.379 2.357 20 30 CEEDHN C[C@@H](CC(C)(C)O)NC(=O)C(C#N)CCc1ccccc1 ZINC000456097328 331184234 /nfs/dbraw/zinc/18/42/34/331184234.db2.gz OPQHNPINXIICMA-ZFWWWQNUSA-N 0 3 288.391 2.425 20 30 CEEDHN CC1(C)COC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000456536732 331195209 /nfs/dbraw/zinc/19/52/09/331195209.db2.gz JATKMYJEPOCTLT-HUUCEWRRSA-N 0 3 286.375 2.300 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCC[C@H]1CO ZINC000456782562 331203502 /nfs/dbraw/zinc/20/35/02/331203502.db2.gz WNTYKGWJKKQGGC-PMPSAXMXSA-N 0 3 286.375 2.036 20 30 CEEDHN C=C(C)CCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000457475469 331224141 /nfs/dbraw/zinc/22/41/41/331224141.db2.gz HHMZNWPSBHYEQV-MRXNPFEDSA-N 0 3 289.423 2.425 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000457485385 331224433 /nfs/dbraw/zinc/22/44/33/331224433.db2.gz JLIGMIBRGDFECH-ARFHVFGLSA-N 0 3 296.455 2.450 20 30 CEEDHN CC(C)(C)[C@@H](C#N)NC(=O)C1CN(C2CCCCC2)C1 ZINC000457641445 331229965 /nfs/dbraw/zinc/22/99/65/331229965.db2.gz ZODKDWCFBJNKBO-CQSZACIVSA-N 0 3 277.412 2.305 20 30 CEEDHN C[C@@H](CNC(=O)N(C)CC(C)(C)C#N)N1CCC[C@H](C)C1 ZINC000457717508 331232294 /nfs/dbraw/zinc/23/22/94/331232294.db2.gz UTOBOQMIQNHPRO-KBPBESRZSA-N 0 3 294.443 2.298 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)N(C)CC(C)(C)C#N ZINC000458382241 331250291 /nfs/dbraw/zinc/25/02/91/331250291.db2.gz QWBQWRIWEAQELK-CYBMUJFWSA-N 0 3 280.416 2.052 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000458726649 331257967 /nfs/dbraw/zinc/25/79/67/331257967.db2.gz CPFZPXYWGQQRNU-CYBMUJFWSA-N 0 3 294.443 2.298 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000458807846 331260516 /nfs/dbraw/zinc/26/05/16/331260516.db2.gz GVFAHRBOIZHQAS-CYBMUJFWSA-N 0 3 267.417 2.324 20 30 CEEDHN CCN1CCC[C@@H]1CN(C)C(=O)NCC(C)(C)CC#N ZINC000459264649 331274098 /nfs/dbraw/zinc/27/40/98/331274098.db2.gz ZOLYPLATKVWUBG-CYBMUJFWSA-N 0 3 280.416 2.052 20 30 CEEDHN N#C[C@@H]1CCC[C@H]1NC/C=C/CN[C@H]1CCC[C@H]1C#N ZINC000459480890 331284122 /nfs/dbraw/zinc/28/41/22/331284122.db2.gz PTLPQFLTETVCLK-ZIJPVPLASA-N 0 3 272.396 2.106 20 30 CEEDHN C[C@@H]1[C@H](CO)CCN1CC#Cc1cccc(Cl)c1 ZINC000488761094 332024460 /nfs/dbraw/zinc/02/44/60/332024460.db2.gz NIEOXYXBKSJKQM-OCCSQVGLSA-N 0 3 263.768 2.394 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC(CC)(CC)OC)CC1 ZINC000488796814 332026073 /nfs/dbraw/zinc/02/60/73/332026073.db2.gz HFIGGWQVVJWWIJ-UHFFFAOYSA-N 0 3 297.443 2.141 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000489051100 332039634 /nfs/dbraw/zinc/03/96/34/332039634.db2.gz XELUDOVOSKBJLA-STQMWFEESA-N 0 3 273.380 2.029 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000490575871 332093084 /nfs/dbraw/zinc/09/30/84/332093084.db2.gz ZDGHFUNDLHVFPN-GOEBONIOSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](CC)C(C)(C)C)CC1 ZINC000490618054 332096285 /nfs/dbraw/zinc/09/62/85/332096285.db2.gz UMHARCSSIRSBPD-CQSZACIVSA-N 0 3 264.413 2.273 20 30 CEEDHN C#C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)C(C)C ZINC000490638545 332099081 /nfs/dbraw/zinc/09/90/81/332099081.db2.gz XTQXNDNDDKHSCY-MQYQWHSLSA-N 0 3 250.386 2.022 20 30 CEEDHN C#CCN(CC)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000490715126 332107716 /nfs/dbraw/zinc/10/77/16/332107716.db2.gz UIRAETZKYHXVGU-KRWDZBQOSA-N 0 3 299.418 2.173 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](c1ccc(F)cc1F)C(C)C ZINC000491122608 332152989 /nfs/dbraw/zinc/15/29/89/332152989.db2.gz WXWCFWHKUDABHG-MRXNPFEDSA-N 0 3 294.345 2.391 20 30 CEEDHN C#CCN(CC1(CNC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000491294316 332183258 /nfs/dbraw/zinc/18/32/58/332183258.db2.gz AYNJAFFSLSKSJK-UHFFFAOYSA-N 0 3 278.396 2.389 20 30 CEEDHN C#C[C@H](CC)N[C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000491404159 332205347 /nfs/dbraw/zinc/20/53/47/332205347.db2.gz AJZNYMVVZJYDTM-CHWSQXEVSA-N 0 3 274.364 2.414 20 30 CEEDHN C#CCN(C)CCCNC(=S)Nc1cc(C)ccc1F ZINC000491523381 332229092 /nfs/dbraw/zinc/22/90/92/332229092.db2.gz DORLSFCBSTVAKA-UHFFFAOYSA-N 0 3 293.411 2.376 20 30 CEEDHN C#C[C@@H](CC)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491543297 332233858 /nfs/dbraw/zinc/23/38/58/332233858.db2.gz FUIJPHQJEMIMHT-INIZCTEOSA-N 0 3 278.359 2.460 20 30 CEEDHN C#CCN(CCCC(=O)N(C)C)Cc1ccc(F)cc1 ZINC000491652671 332265116 /nfs/dbraw/zinc/26/51/16/332265116.db2.gz MGPVBJSLRARGKV-UHFFFAOYSA-N 0 3 276.355 2.129 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc2cc(F)ccc2o1 ZINC000491691058 332287942 /nfs/dbraw/zinc/28/79/42/332287942.db2.gz NNDNSDYEAYLBFF-UHFFFAOYSA-N 0 3 288.322 2.257 20 30 CEEDHN C#C[C@H](NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1)C(C)C ZINC000491724795 332309059 /nfs/dbraw/zinc/30/90/59/332309059.db2.gz CJNNUTWRKATAMP-YHUYYLMFSA-N 0 3 291.439 2.016 20 30 CEEDHN C#CCN(CCOCC(F)(F)C(F)(F)F)C1CC1 ZINC000491727692 332310816 /nfs/dbraw/zinc/31/08/16/332310816.db2.gz LITTVEVALRITLP-UHFFFAOYSA-N 0 3 271.229 2.298 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000491743914 332322058 /nfs/dbraw/zinc/32/20/58/332322058.db2.gz IEPLXAPHXAXVIH-UXLLHSPISA-N 0 3 299.418 2.313 20 30 CEEDHN C#C[C@@H](NC(=O)C1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000491764253 332332948 /nfs/dbraw/zinc/33/29/48/332332948.db2.gz CDQQJGJLAVZISX-OAHLLOKOSA-N 0 3 290.794 2.472 20 30 CEEDHN C#C[C@@H](CC)NCc1cn(-c2ccncc2)nc1C ZINC000491769061 332336249 /nfs/dbraw/zinc/33/62/49/332336249.db2.gz LJYGGVGDJXOTDP-AWEZNQCLSA-N 0 3 254.337 2.077 20 30 CEEDHN C#CCN1CCC(C(=O)NCC(C)(C)C2CCC2)CC1 ZINC000491770491 332337524 /nfs/dbraw/zinc/33/75/24/332337524.db2.gz MPCNTTHBNHKJQX-UHFFFAOYSA-N 0 3 276.424 2.274 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(CC1CCC1)C(C)C ZINC000491787736 332350083 /nfs/dbraw/zinc/35/00/83/332350083.db2.gz WLQXTGWSGRSRKZ-UHFFFAOYSA-N 0 3 279.428 2.162 20 30 CEEDHN CC(C)(C)OC(=O)N[C@@H]1CCCCCC1=Nn1cnnc1 ZINC000496462870 332550307 /nfs/dbraw/zinc/55/03/07/332550307.db2.gz UBNRXHMLAMZNOV-LLVKDONJSA-N 0 3 293.371 2.340 20 30 CEEDHN C=CCCCCCN1CCN([C@@H](CC)CO)CC1 ZINC000193362784 333248658 /nfs/dbraw/zinc/24/86/58/333248658.db2.gz FKKSJFQHQNXUIU-HNNXBMFYSA-N 0 3 254.418 2.121 20 30 CEEDHN C=CCOc1ccccc1CNCCN1CCSCC1 ZINC000226247098 333255024 /nfs/dbraw/zinc/25/50/24/333255024.db2.gz KLZDJPIRSGGVLE-UHFFFAOYSA-N 0 3 292.448 2.390 20 30 CEEDHN C=CCSCCNC(=O)NCC(C)(C)N1CCCCC1 ZINC000194634407 333273969 /nfs/dbraw/zinc/27/39/69/333273969.db2.gz XAGUECHXKZBYQB-UHFFFAOYSA-N 0 3 299.484 2.469 20 30 CEEDHN C=CCOc1ccccc1CNC[C@H](COC)OC ZINC000227704586 333287441 /nfs/dbraw/zinc/28/74/41/333287441.db2.gz ALKCQIORQJFLNT-CQSZACIVSA-N 0 3 265.353 2.002 20 30 CEEDHN C[C@@H](O)CCCNC1CC(C#N)(c2ccccc2)C1 ZINC000228030839 333293253 /nfs/dbraw/zinc/29/32/53/333293253.db2.gz VRLVQRRWPCEYDQ-IUDNXUCKSA-N 0 3 258.365 2.361 20 30 CEEDHN CN(CCC(=O)N(CC#N)C1CCCC1)c1ccncc1 ZINC000542785300 333840708 /nfs/dbraw/zinc/84/07/08/333840708.db2.gz NHBUMPWIUWKGQM-UHFFFAOYSA-N 0 3 286.379 2.203 20 30 CEEDHN N#CC(C(=O)c1cccc([C@@H]2CCOC2)c1)c1ccncn1 ZINC000546859793 334051889 /nfs/dbraw/zinc/05/18/89/334051889.db2.gz UWLJHNIVYHWVCK-CABCVRRESA-N 0 3 293.326 2.471 20 30 CEEDHN CC#CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000136006128 334143469 /nfs/dbraw/zinc/14/34/69/334143469.db2.gz OLZUJNVMPUHAMP-KRWDZBQOSA-N 0 3 299.418 2.454 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ncc(C#N)cc2C)CC1 ZINC000550781835 334228652 /nfs/dbraw/zinc/22/86/52/334228652.db2.gz GKAAVVZKTWOFHC-UHFFFAOYSA-N 0 3 298.390 2.032 20 30 CEEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000246208740 334240991 /nfs/dbraw/zinc/24/09/91/334240991.db2.gz XFRZAPJAONAHSI-IARIHHJXSA-N 0 3 289.423 2.448 20 30 CEEDHN CCOC(=O)[C@@H]1CC[C@H](NC[C@H](C)C#N)C[C@H]1C ZINC000248397646 334300059 /nfs/dbraw/zinc/30/00/59/334300059.db2.gz RYCXNUVSOAAFRN-FVCCEPFGSA-N 0 3 252.358 2.104 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCSC[C@@H](C)C1 ZINC000249030809 334325216 /nfs/dbraw/zinc/32/52/16/334325216.db2.gz LZKSZLXGUARGDW-UONOGXRCSA-N 0 3 282.453 2.260 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCc2sc(Cl)cc2C1 ZINC000566259296 334639415 /nfs/dbraw/zinc/63/94/15/334639415.db2.gz TWTUHDXQJBJJSH-JTQLQIEISA-N 0 3 297.811 2.307 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCc1cc2c(s1)CCCC2 ZINC000567660301 334747251 /nfs/dbraw/zinc/74/72/51/334747251.db2.gz SYUJXKCGCPWWLU-ZDUSSCGKSA-N 0 3 291.420 2.264 20 30 CEEDHN C=CCCCCCNC(=O)NC1CCN(C)CC1 ZINC000568410508 334823617 /nfs/dbraw/zinc/82/36/17/334823617.db2.gz OQDHYPISRXLECG-UHFFFAOYSA-N 0 3 253.390 2.126 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(CCN(C)C)C1CC1 ZINC000356275104 533714647 /nfs/dbraw/zinc/71/46/47/533714647.db2.gz GGWVIDUKTCRXHP-UHFFFAOYSA-N 0 3 271.364 2.033 20 30 CEEDHN C#CCCOc1ccc(CN[C@@H](CO)CC=C)cc1 ZINC000184264726 518251645 /nfs/dbraw/zinc/25/16/45/518251645.db2.gz RACUICUWNRWRCB-OAHLLOKOSA-N 0 3 259.349 2.115 20 30 CEEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)C[S@](C)=O)cc1 ZINC000184293720 518329506 /nfs/dbraw/zinc/32/95/06/518329506.db2.gz PHLHGLHJVLADAL-JMERFSKESA-N 0 3 279.405 2.116 20 30 CEEDHN C=CCCCN(C)C(=O)c1ccnc(OCCN(C)C)c1 ZINC000183212360 518700393 /nfs/dbraw/zinc/70/03/93/518700393.db2.gz STKKCCQKUPGJOF-UHFFFAOYSA-N 0 3 291.395 2.060 20 30 CEEDHN C=CC[C@H](CO)NCc1cnc(N(CC)CC)s1 ZINC000184271692 519118996 /nfs/dbraw/zinc/11/89/96/519118996.db2.gz YXOXDWDFHARWNR-LLVKDONJSA-N 0 3 269.414 2.016 20 30 CEEDHN CCC[C@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000337330945 521037896 /nfs/dbraw/zinc/03/78/96/521037896.db2.gz GZVMPZBOXAGUSD-ZDUSSCGKSA-N 0 3 258.369 2.264 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H](CCO)C(C)(C)C ZINC000183685555 522036215 /nfs/dbraw/zinc/03/62/15/522036215.db2.gz NCEMWKQUPXXIHX-OAHLLOKOSA-N 0 3 276.380 2.454 20 30 CEEDHN Cc1nc(-c2ccc(CNC(=O)C(C)C#N)o2)cs1 ZINC000347074331 534858005 /nfs/dbraw/zinc/85/80/05/534858005.db2.gz QWOKKCYJVGLBEJ-QMMMGPOBSA-N 0 3 275.333 2.487 20 30 CEEDHN C=CCN(CCOC)C[C@H](O)Cc1cccc(Cl)c1 ZINC000347257894 526299744 /nfs/dbraw/zinc/29/97/44/526299744.db2.gz XCMXMWDJOHGVTG-OAHLLOKOSA-N 0 3 283.799 2.378 20 30 CEEDHN C=CCNC(=O)CNC/C(C)=C/c1ccccc1COC ZINC000352751075 526568507 /nfs/dbraw/zinc/56/85/07/526568507.db2.gz TVXSALWSKMAXHM-GXDHUFHOSA-N 0 3 288.391 2.128 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCN(c3ncccc3F)C2)c1 ZINC000153950937 526710075 /nfs/dbraw/zinc/71/00/75/526710075.db2.gz SWJOKYMRHGHXCH-HNNXBMFYSA-N 0 3 296.349 2.461 20 30 CEEDHN CC(C)(C)[S@](=O)CCNCc1cccc(C#N)c1 ZINC000116920219 526746219 /nfs/dbraw/zinc/74/62/19/526746219.db2.gz SLCWRDZQOKQFND-SFHVURJKSA-N 0 3 264.394 2.195 20 30 CEEDHN C=C(CNC(=O)N1CCN[C@H](C)[C@H]1C)c1ccccc1 ZINC000334928325 526867616 /nfs/dbraw/zinc/86/76/16/526867616.db2.gz IOJDLXGYEBQRGT-ZIAGYGMSSA-N 0 3 273.380 2.092 20 30 CEEDHN C=CC1CCN(Cc2ccc(C(=O)OC)cn2)CC1 ZINC000352029992 526980828 /nfs/dbraw/zinc/98/08/28/526980828.db2.gz TWNMSVWDHVJZSH-UHFFFAOYSA-N 0 3 260.337 2.266 20 30 CEEDHN CC(C)[C@@H](NC(=O)C(C)C#N)c1nc(-c2ccncc2)no1 ZINC000347146164 528566801 /nfs/dbraw/zinc/56/68/01/528566801.db2.gz ZXGGSJKTAXKWJB-ZYHUDNBSSA-N 0 3 299.334 2.105 20 30 CEEDHN CCCOc1ccc(CNC(=O)C(C)C#N)cc1OC ZINC000347076459 528680922 /nfs/dbraw/zinc/68/09/22/528680922.db2.gz SSBMJVCQPOLALW-NSHDSACASA-N 0 3 276.336 2.260 20 30 CEEDHN C#CCN(CCn1ccccc1=O)C1CCCCC1 ZINC000726185153 574424563 /nfs/dbraw/zinc/42/45/63/574424563.db2.gz JMYPENFDRWMVQR-UHFFFAOYSA-N 0 3 258.365 2.116 20 30 CEEDHN C#Cc1cccc(NC(=S)N2CCCN(C)CC2)c1 ZINC000726438879 574426610 /nfs/dbraw/zinc/42/66/10/574426610.db2.gz WXGFNYXTKKSRNX-UHFFFAOYSA-N 0 3 273.405 2.002 20 30 CEEDHN C=CCSc1ccccc1NC(=O)CN[C@H](CC)CO ZINC000727057746 574445224 /nfs/dbraw/zinc/44/52/24/574445224.db2.gz HBKJLZBPFUKKDP-GFCCVEGCSA-N 0 3 294.420 2.264 20 30 CEEDHN N#Cc1ccc(N2CCC(NCc3ccoc3)CC2)nc1 ZINC000727472189 574452193 /nfs/dbraw/zinc/45/21/93/574452193.db2.gz ZGQMGMKCCHTJLI-UHFFFAOYSA-N 0 3 282.347 2.305 20 30 CEEDHN C=CCN(C(=O)NC[C@H](C)N(C)C1CC1)C(C)C ZINC000729618048 574489977 /nfs/dbraw/zinc/48/99/77/574489977.db2.gz YANUYPHVYPACJJ-LBPRGKRZSA-N 0 3 253.390 2.075 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCc3ccc(C)cc32)CC1 ZINC000730191160 574507560 /nfs/dbraw/zinc/50/75/60/574507560.db2.gz JIZHTYNWDWVESC-GOSISDBHSA-N 0 3 296.414 2.444 20 30 CEEDHN C=C(CN(C)C)C(=O)N(C)[C@@H]1CCCc2nc(C)sc21 ZINC000764507970 574598757 /nfs/dbraw/zinc/59/87/57/574598757.db2.gz KWVGDEYNYSTCJZ-CYBMUJFWSA-N 0 3 293.436 2.405 20 30 CEEDHN C=C(CN(C)C)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000764604557 574599883 /nfs/dbraw/zinc/59/98/83/574599883.db2.gz NPUULWBUEMRDDF-UONOGXRCSA-N 0 3 260.381 2.413 20 30 CEEDHN COc1ccc([C@@H]2CCCCC2N=NC(=N)N)cc1F ZINC000732710984 574626784 /nfs/dbraw/zinc/62/67/84/574626784.db2.gz VZRRISNFTXKSCT-JTQLQIEISA-N 0 3 278.331 2.331 20 30 CEEDHN CCCCN(C)CCNC(=O)c1ccc(C=NOC)cc1 ZINC000732771100 574629676 /nfs/dbraw/zinc/62/96/76/574629676.db2.gz BKFWTJUYUHWISI-UHFFFAOYSA-N 0 3 291.395 2.129 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)OCC)C(C)C ZINC000753375358 575324954 /nfs/dbraw/zinc/32/49/54/575324954.db2.gz XBJJKCKUEAEVTP-AWEZNQCLSA-N 0 3 283.416 2.278 20 30 CEEDHN C=C(Cl)CNC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000737038152 574803304 /nfs/dbraw/zinc/80/33/04/574803304.db2.gz PMACPHTVIQOTMG-PWSUYJOCSA-N 0 3 273.808 2.159 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H]3CCOC3)nc21 ZINC000740562583 574959227 /nfs/dbraw/zinc/95/92/27/574959227.db2.gz SQKUBLVVWQGOSG-NWDGAFQWSA-N 0 3 283.331 2.474 20 30 CEEDHN Cc1cccc2nc(C(C#N)C(=O)C[C@@H]3CCOC3)[nH]c21 ZINC000740562583 574959228 /nfs/dbraw/zinc/95/92/28/574959228.db2.gz SQKUBLVVWQGOSG-NWDGAFQWSA-N 0 3 283.331 2.474 20 30 CEEDHN C=C(C)CNC(=S)N(C)[C@@H]1CCN(CC)[C@@H](C)C1 ZINC000740634085 574962557 /nfs/dbraw/zinc/96/25/57/574962557.db2.gz JAKQKXVNHDTRFE-QWHCGFSZSA-N 0 3 269.458 2.242 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000740736166 574967060 /nfs/dbraw/zinc/96/70/60/574967060.db2.gz HISDUPLDSMBXIB-UHFFFAOYSA-N 0 3 274.339 2.043 20 30 CEEDHN C#CCNC(=O)CN1CCC[C@@H]1c1cccc(C)c1C ZINC000741794587 574999069 /nfs/dbraw/zinc/99/90/69/574999069.db2.gz TXOKACZZGVJXKJ-MRXNPFEDSA-N 0 3 270.376 2.190 20 30 CEEDHN COc1cccc(NC(=O)C(C#N)C(=O)C=CC2CC2)c1 ZINC000744027502 575112392 /nfs/dbraw/zinc/11/23/92/575112392.db2.gz WTEMSYQUBXAXMY-HSBSLETESA-N 0 3 284.315 2.309 20 30 CEEDHN CC[C@@H](OC)C(=O)C(C#N)c1nc2ccccc2n1C ZINC000744929222 575129434 /nfs/dbraw/zinc/12/94/34/575129434.db2.gz BIRKUNVWQQKKEW-GXFFZTMASA-N 0 3 271.320 2.175 20 30 CEEDHN CC#CCOC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000745022707 575130946 /nfs/dbraw/zinc/13/09/46/575130946.db2.gz PRJYUWDLBOOYHB-MRXNPFEDSA-N 0 3 271.360 2.465 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000746247057 575152764 /nfs/dbraw/zinc/15/27/64/575152764.db2.gz FHEBYJOYPREUKS-BYCMXARLSA-N 0 3 290.338 2.400 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)C#Cc1ccccc1 ZINC000747223134 575168712 /nfs/dbraw/zinc/16/87/12/575168712.db2.gz BJNRKODCGNFXPR-KRWDZBQOSA-N 0 3 284.403 2.419 20 30 CEEDHN CC(C)(C)N1CCCN(C(=O)C#Cc2ccccc2)CC1 ZINC000747371733 575169832 /nfs/dbraw/zinc/16/98/32/575169832.db2.gz WRBQCKGFNDPDJA-UHFFFAOYSA-N 0 3 284.403 2.371 20 30 CEEDHN CC1=C(C(=O)C(C#N)C(=O)Nc2ccccn2)CCC1 ZINC000747213776 575168607 /nfs/dbraw/zinc/16/86/07/575168607.db2.gz VZIYWUNDYKTULE-LBPRGKRZSA-N 0 3 269.304 2.229 20 30 CEEDHN C#CCN(CC)CCOc1ccc(C(=O)OC)cc1Cl ZINC000749155351 575207493 /nfs/dbraw/zinc/20/74/93/575207493.db2.gz OYLZQZHGDOAVLA-UHFFFAOYSA-N 0 3 295.766 2.461 20 30 CEEDHN C=C(CN(C)C)C(=O)Nc1ccc(O)c(COC(C)C)c1 ZINC000752987943 575317548 /nfs/dbraw/zinc/31/75/48/575317548.db2.gz VRNWCKQUBTVEOY-UHFFFAOYSA-N 0 3 292.379 2.374 20 30 CEEDHN C#CCOCCN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000753759221 575339995 /nfs/dbraw/zinc/33/99/95/575339995.db2.gz AKZOLJYBAQHEMN-CYBMUJFWSA-N 0 3 277.364 2.313 20 30 CEEDHN C[C@@H]1CCC(=CC(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000753800782 575342907 /nfs/dbraw/zinc/34/29/07/575342907.db2.gz FYVIUVDBOCIXBD-RGXVFGMQSA-N 0 3 283.331 2.475 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC000981844100 613005196 /nfs/dbraw/zinc/00/51/96/613005196.db2.gz BLVFRMIYHRDWOO-CVEARBPZSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C2(C)CC(=C)C2)C(C)(C)C1 ZINC000975024895 613030928 /nfs/dbraw/zinc/03/09/28/613030928.db2.gz HKEMQQLNRSZYNE-CQSZACIVSA-N 0 3 274.408 2.193 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C2(C)CCC(F)(F)CC2)C1 ZINC000969124863 612960107 /nfs/dbraw/zinc/96/01/07/612960107.db2.gz MAEGOMKVMXIOFT-GFCCVEGCSA-N 0 3 284.350 2.026 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC000970832655 612963991 /nfs/dbraw/zinc/96/39/91/612963991.db2.gz FGFQLLWKSNAUER-NVXWUHKLSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC000970274219 612962374 /nfs/dbraw/zinc/96/23/74/612962374.db2.gz NMHLWIVIZSAFFM-WMLDXEAASA-N 0 3 284.403 2.176 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)C23CCC(CC2)CC3)C1 ZINC000970913427 612993551 /nfs/dbraw/zinc/99/35/51/612993551.db2.gz NYFYSKQRARUEHK-KSTDHSDQSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CC23CCCC3)C1 ZINC000970699275 612994217 /nfs/dbraw/zinc/99/42/17/612994217.db2.gz GTTVQPNKIAOIHE-HIFRSBDPSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC000970936286 612994390 /nfs/dbraw/zinc/99/43/90/612994390.db2.gz CYGVMAGYGWWRIZ-VXTDNTOSSA-N 0 3 288.435 2.273 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(F)c(F)c2)C1 ZINC000969841519 612995063 /nfs/dbraw/zinc/99/50/63/612995063.db2.gz KQWDHSXTCWJEPV-LLVKDONJSA-N 0 3 292.329 2.038 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc(C)sc2C)C1 ZINC000970081374 612997130 /nfs/dbraw/zinc/99/71/30/612997130.db2.gz FECLCKAPLLUFEK-LBPRGKRZSA-N 0 3 290.432 2.438 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc(C)c(C)s2)C1 ZINC000970854180 612997309 /nfs/dbraw/zinc/99/73/09/612997309.db2.gz KQTVXCJDDHBIBN-LBPRGKRZSA-N 0 3 290.432 2.438 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cccc(Cl)c2)C1 ZINC000970787008 612997942 /nfs/dbraw/zinc/99/79/42/612997942.db2.gz UGNAXIQPJGGQRS-LBPRGKRZSA-N 0 3 290.794 2.413 20 30 CEEDHN C#CCCN1CCCN(C(=O)C2=CCCCCC2)CC1 ZINC000981044107 613002273 /nfs/dbraw/zinc/00/22/73/613002273.db2.gz RTEICLOEZAWKTL-UHFFFAOYSA-N 0 3 274.408 2.435 20 30 CEEDHN C#CCCN1CCCN(C(=O)C2CC3(CCC3)C2)CC1 ZINC000981787505 613002645 /nfs/dbraw/zinc/00/26/45/613002645.db2.gz MHRZPDPVSAKBML-UHFFFAOYSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCCN1CCCN(C(=O)Cc2ccc(CC)cc2)CC1 ZINC000982045312 613003192 /nfs/dbraw/zinc/00/31/92/613003192.db2.gz QMUNZFKEKOVLDB-UHFFFAOYSA-N 0 3 298.430 2.349 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCCCC2(F)F)CC1 ZINC000981688071 613003379 /nfs/dbraw/zinc/00/33/79/613003379.db2.gz RCUICZFEPCTHEI-AWEZNQCLSA-N 0 3 298.377 2.370 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC000983428202 613005168 /nfs/dbraw/zinc/00/51/68/613005168.db2.gz FVLRYECFIGYAKH-NVXWUHKLSA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)c(C)n2)C1 ZINC000967398346 613015701 /nfs/dbraw/zinc/01/57/01/613015701.db2.gz XCIVDXWYYINEFG-RHSMWYFYSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C#C)cc2)C1 ZINC000967682748 613015874 /nfs/dbraw/zinc/01/58/74/613015874.db2.gz XUZMMDGDTCLRIS-CRAIPNDOSA-N 0 3 294.398 2.131 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2coc(C)c2)C1 ZINC000965951466 613016214 /nfs/dbraw/zinc/01/62/14/613016214.db2.gz GBMAINKUKYMDNI-IUODEOHRSA-N 0 3 274.364 2.052 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC000964654061 613022880 /nfs/dbraw/zinc/02/28/80/613022880.db2.gz DHZSWLPDRMDXLS-BBRMVZONSA-N 0 3 288.366 2.289 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968579941 613023129 /nfs/dbraw/zinc/02/31/29/613023129.db2.gz QVGMDKLPAZTJMO-RDJZCZTQSA-N 0 3 284.403 2.459 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc3occc3[nH]2)C1 ZINC000966488491 613023267 /nfs/dbraw/zinc/02/32/67/613023267.db2.gz HWCZZUUPQZPMDQ-WFASDCNBSA-N 0 3 299.374 2.224 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C#C)cc2)C(C)(C)C1 ZINC000974933505 613032306 /nfs/dbraw/zinc/03/23/06/613032306.db2.gz XXZYSPQNENFZOK-QGZVFWFLSA-N 0 3 294.398 2.131 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(CC)ccn2)C(C)(C)C1 ZINC000974616720 613032411 /nfs/dbraw/zinc/03/24/11/613032411.db2.gz WWFCCCVKHISKOP-MRXNPFEDSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2[nH]c(C)cc2C)C(C)(C)C1 ZINC000974743162 613038586 /nfs/dbraw/zinc/03/85/86/613038586.db2.gz NZQQBXDAKNHQKT-AWEZNQCLSA-N 0 3 287.407 2.095 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CCC2(C)C)CC1 ZINC000948685093 613162112 /nfs/dbraw/zinc/16/21/12/613162112.db2.gz VOAQDUMWXLXSDX-CABCVRRESA-N 0 3 276.424 2.369 20 30 CEEDHN C#Cc1ccc(C(=O)N2CC[C@@H](N(C)CC=C)C2)cc1 ZINC000972059941 613171757 /nfs/dbraw/zinc/17/17/57/613171757.db2.gz ZGJDNSOYGAAKLL-MRXNPFEDSA-N 0 3 268.360 2.000 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)c2ccccc2)[C@@H](C)C1 ZINC000944811621 613222482 /nfs/dbraw/zinc/22/24/82/613222482.db2.gz OZFYNHHZKJHTBA-DOTOQJQBSA-N 0 3 298.430 2.424 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C2(C)CCCCC2)[C@H](C)C1 ZINC000942599608 613223337 /nfs/dbraw/zinc/22/33/37/613223337.db2.gz BTSGRDUUORXHOF-HUUCEWRRSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C2CCC=CCC2)[C@@H](C)C1 ZINC000944976372 613224124 /nfs/dbraw/zinc/22/41/24/613224124.db2.gz FRWROKFYWVQLJS-GOEBONIOSA-N 0 3 274.408 2.193 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2c[nH]c3ccccc23)[C@H](C)C1 ZINC000942312700 613231160 /nfs/dbraw/zinc/23/11/60/613231160.db2.gz BYGNNLPWSCILTG-CZUORRHYSA-N 0 3 295.386 2.241 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc[nH]c2CCC)[C@@H](C)C1 ZINC000942572612 613234450 /nfs/dbraw/zinc/23/44/50/613234450.db2.gz WDZPVUJKBJBQJA-DZGCQCFKSA-N 0 3 287.407 2.041 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C=C)cc2)[C@@H](C)C1 ZINC000942942026 613235082 /nfs/dbraw/zinc/23/50/82/613235082.db2.gz 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20 30 CEEDHN C#C[C@H](C)NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000820430077 634407506 /nfs/dbraw/zinc/40/75/06/634407506.db2.gz ZOTYFLWJIIHRPC-DOTOQJQBSA-N 0 3 299.418 2.314 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@H](CNC(=O)C3CC3)C2)c1 ZINC001023184907 624955984 /nfs/dbraw/zinc/95/59/84/624955984.db2.gz XETMEVJTSJHJLV-MRXNPFEDSA-N 0 3 297.402 2.296 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001023223615 624966549 /nfs/dbraw/zinc/96/65/49/624966549.db2.gz RHZVLKVMMLZFFX-GFCCVEGCSA-N 0 3 293.798 2.133 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cscc2C)C1 ZINC001023297665 624985205 /nfs/dbraw/zinc/98/52/05/624985205.db2.gz NQFXDBMBARZEQH-ZDUSSCGKSA-N 0 3 276.405 2.132 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2c(C)coc2C)C1 ZINC001023349280 624994590 /nfs/dbraw/zinc/99/45/90/624994590.db2.gz USBYFIGRHYBBJC-OAHLLOKOSA-N 0 3 288.391 2.362 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc3occc3[nH]2)C1 ZINC001023399959 625004354 /nfs/dbraw/zinc/00/43/54/625004354.db2.gz VPTOWXAODIHGDX-CYBMUJFWSA-N 0 3 299.374 2.226 20 30 CEEDHN C=CCN1CCC[C@@H](CNC(=O)c2conc2C(C)C)C1 ZINC001023411249 625007307 /nfs/dbraw/zinc/00/73/07/625007307.db2.gz BAAHUBUYFAOGMZ-ZDUSSCGKSA-N 0 3 291.395 2.426 20 30 CEEDHN C=CCN1CCC[C@@H](CNC(=O)c2cnc(C3CC3)o2)C1 ZINC001023418382 625009834 /nfs/dbraw/zinc/00/98/34/625009834.db2.gz AOIRGABDABQAQK-LBPRGKRZSA-N 0 3 289.379 2.180 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccnc(C3CC3)c2)C1 ZINC001023467943 625019324 /nfs/dbraw/zinc/01/93/24/625019324.db2.gz FIBNLZJRRVBERN-CQSZACIVSA-N 0 3 297.402 2.034 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cncc(CC)c2)C1 ZINC001023491528 625024042 /nfs/dbraw/zinc/02/40/42/625024042.db2.gz OWCXWONDZZOVBY-MRXNPFEDSA-N 0 3 299.418 2.109 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001023565042 625043943 /nfs/dbraw/zinc/04/39/43/625043943.db2.gz XAHZSVLXSGRTST-CQSZACIVSA-N 0 3 295.386 2.243 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2cc3ccccn3c2)C1 ZINC001023629098 625082342 /nfs/dbraw/zinc/08/23/42/625082342.db2.gz 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/nfs/dbraw/zinc/66/92/25/627669225.db2.gz RXVJNGLHNOJFQY-HOCLYGCPSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cocc2C)C1 ZINC001025503600 627727837 /nfs/dbraw/zinc/72/78/37/627727837.db2.gz RTKFFWNKCROPOS-KGLIPLIRSA-N 0 3 274.364 2.052 20 30 CEEDHN C#C[C@H]1CCCCN1C(=O)NC1CCN(CC(=C)C)CC1 ZINC000892851046 627810554 /nfs/dbraw/zinc/81/05/54/627810554.db2.gz ATRQEJNTOGLCET-INIZCTEOSA-N 0 3 289.423 2.224 20 30 CEEDHN C#C[C@@H]1CCCCN1C(=O)NC1CCN(CC(=C)C)CC1 ZINC000892851048 627810880 /nfs/dbraw/zinc/81/08/80/627810880.db2.gz ATRQEJNTOGLCET-MRXNPFEDSA-N 0 3 289.423 2.224 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C[C@H](C)c2ccc(F)cc2)C1 ZINC001019808785 627913658 /nfs/dbraw/zinc/91/36/58/627913658.db2.gz WRPXKUHNZHLVRI-BBRMVZONSA-N 0 3 288.366 2.143 20 30 CEEDHN COC(=O)CC(C)(C)NCc1ccc(C#N)cc1F ZINC000178335245 628075416 /nfs/dbraw/zinc/07/54/16/628075416.db2.gz FYYNSRIYQOMMTI-UHFFFAOYSA-N 0 3 264.300 2.129 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@H]3CCC(F)(F)C3)CCC[C@H]12 ZINC000990999191 634628216 /nfs/dbraw/zinc/62/82/16/634628216.db2.gz QEUSETWIJAQIHD-KCQAQPDRSA-N 0 3 296.361 2.168 20 30 CEEDHN CC(C)C(N)=NOCCN(C)Cc1ccc(F)cc1 ZINC000189353866 628311244 /nfs/dbraw/zinc/31/12/44/628311244.db2.gz BSLQPVOAGQOZKC-UHFFFAOYSA-N 0 3 267.348 2.202 20 30 CEEDHN Cc1nc(CN)ccc1[C@H](C)NCc1nc(C#N)cs1 ZINC000902443822 634661389 /nfs/dbraw/zinc/66/13/89/634661389.db2.gz FAUWXAZAZQAQNZ-VIFPVBQESA-N 0 3 287.392 2.028 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001009154513 628589664 /nfs/dbraw/zinc/58/96/64/628589664.db2.gz PQJGKNBPQCLGTE-HOCLYGCPSA-N 0 3 276.424 2.417 20 30 CEEDHN CCCCCCCCCNC(=O)NC[C@@H]1CNCCO1 ZINC000841660615 628751008 /nfs/dbraw/zinc/75/10/08/628751008.db2.gz SIRSVCAMMLAVDH-AWEZNQCLSA-N 0 3 285.432 2.025 20 30 CEEDHN N#Cc1ccccc1CN[C@@H]1CCC[C@H](NC(=O)C2CC2)C1 ZINC000980843138 628814883 /nfs/dbraw/zinc/81/48/83/628814883.db2.gz AAHATTWAAIRSCN-SJORKVTESA-N 0 3 297.402 2.485 20 30 CEEDHN CCO[C@@H]1C[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)[C@H]1OC ZINC000894103038 629130336 /nfs/dbraw/zinc/13/03/36/629130336.db2.gz RRIWEBJJPVNKNQ-QBPKDAKJSA-N 0 3 286.375 2.328 20 30 CEEDHN C#CCOc1ccc(NC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC000108453044 629412551 /nfs/dbraw/zinc/41/25/51/629412551.db2.gz YVLPTPDNPNMGIZ-OAHLLOKOSA-N 0 3 274.364 2.223 20 30 CEEDHN C#CCCN1CCN(c2cc[nH+]c3c([O-])cccc23)CC1 ZINC000795083988 629431966 /nfs/dbraw/zinc/43/19/66/629431966.db2.gz BFYISMVLUMXOPW-UHFFFAOYSA-N 0 3 281.359 2.086 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)NCCC ZINC000795333338 629518621 /nfs/dbraw/zinc/51/86/21/629518621.db2.gz NPCRJCSAVKKUAB-GDBMZVCRSA-N 0 3 272.392 2.125 20 30 CEEDHN Cc1ccc(CC(=O)C(C#N)C(=O)NC2CCCCC2)cn1 ZINC000821619781 634765307 /nfs/dbraw/zinc/76/53/07/634765307.db2.gz MKVJXBBXRTUSSO-OAHLLOKOSA-N 0 3 299.374 2.090 20 30 CEEDHN CCN1[C@H](C)CN(c2c(C#N)nnc3ccccc32)C[C@@H]1C ZINC000895099170 629892752 /nfs/dbraw/zinc/89/27/52/629892752.db2.gz DNUVYKYHULOQAW-BETUJISGSA-N 0 3 295.390 2.420 20 30 CEEDHN C#CCNC(=O)CN1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000796433539 629902424 /nfs/dbraw/zinc/90/24/24/629902424.db2.gz FYMRAZQWICATMF-GDBMZVCRSA-N 0 3 270.376 2.209 20 30 CEEDHN C=CCCCCC[C@H](C)NCc1cc(C(N)=O)no1 ZINC000793586643 629907087 /nfs/dbraw/zinc/90/70/87/629907087.db2.gz KDYVRBDKNDMZHC-NSHDSACASA-N 0 3 265.357 2.388 20 30 CEEDHN C=CCCCN(CC)CN1CC[C@@H](CCOC)C1=O ZINC000902669997 634776812 /nfs/dbraw/zinc/77/68/12/634776812.db2.gz WMQKZCSQZGLOBH-AWEZNQCLSA-N 0 3 268.401 2.117 20 30 CEEDHN CC1(C)CCC[C@H]([NH2+][C@@H]2CCCN([O-])C2=O)CC1 ZINC000895156598 629972178 /nfs/dbraw/zinc/97/21/78/629972178.db2.gz DTZWNAUQHFNFLL-NWDGAFQWSA-N 0 3 254.374 2.315 20 30 CEEDHN CC[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCCN([O-])C2=O)C1 ZINC000895161216 629979259 /nfs/dbraw/zinc/97/92/59/629979259.db2.gz QXFRJJZLFPSKHE-UPJWGTAASA-N 0 3 254.374 2.173 20 30 CEEDHN O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCCN1[O-] ZINC000895161909 629979855 /nfs/dbraw/zinc/97/98/55/629979855.db2.gz VODSVPCVAKRBKD-IGQOVBAYSA-N 0 3 266.385 2.315 20 30 CEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCC(F)F)c1 ZINC000796886069 630052348 /nfs/dbraw/zinc/05/23/48/630052348.db2.gz XAUJOMZJRSBGOF-GFCCVEGCSA-N 0 3 294.301 2.365 20 30 CEEDHN C#CCCN(CCOC)C[C@H]1C[C@]1(C)Br ZINC000895471150 630208371 /nfs/dbraw/zinc/20/83/71/630208371.db2.gz JTWXFKQYPSQDTM-NEPJUHHUSA-N 0 3 274.202 2.132 20 30 CEEDHN C#C[C@@H](NCc1csc(C#N)c1)C1CCOCC1 ZINC000895435722 630188666 /nfs/dbraw/zinc/18/86/66/630188666.db2.gz KXNBAGFOBLEVEP-CQSZACIVSA-N 0 3 260.362 2.138 20 30 CEEDHN C#C[C@@H](NCc1cnn(C2CCC2)c1)C1CCOCC1 ZINC000895436188 630188695 /nfs/dbraw/zinc/18/86/95/630188695.db2.gz PVJFFSVMTSKRPM-MRXNPFEDSA-N 0 3 273.380 2.126 20 30 CEEDHN C#C[C@H](NCc1cccc2[nH]c(=O)oc21)C1CCOCC1 ZINC000895437175 630189210 /nfs/dbraw/zinc/18/92/10/630189210.db2.gz WVPHPAXPMXTOER-ZDUSSCGKSA-N 0 3 286.331 2.051 20 30 CEEDHN C[C@@H](C#N)OCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000795235206 630197547 /nfs/dbraw/zinc/19/75/47/630197547.db2.gz IRQVMAWEHYBASM-NSHDSACASA-N 0 3 277.324 2.348 20 30 CEEDHN C#CC1(NCc2cc(OC)c(O)c(OC)c2)CCCC1 ZINC000895675058 630295433 /nfs/dbraw/zinc/29/54/33/630295433.db2.gz LGUQQRPHKALUND-UHFFFAOYSA-N 0 3 275.348 2.445 20 30 CEEDHN C#CCC1(O)CCN(Cc2cc(COC)cs2)CC1 ZINC000895671135 630300836 /nfs/dbraw/zinc/30/08/36/630300836.db2.gz QHCBCLTUNMOEKO-UHFFFAOYSA-N 0 3 279.405 2.245 20 30 CEEDHN C(#Cc1ccccc1)CN[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000895745118 630322474 /nfs/dbraw/zinc/32/24/74/630322474.db2.gz MOXXUNWUJFAOFN-VIQHNZTISA-N 0 3 253.345 2.051 20 30 CEEDHN CN(C(=O)NCC1(C#N)CCCCC1)[C@@H]1CCCN(C)C1 ZINC000895830280 630369510 /nfs/dbraw/zinc/36/95/10/630369510.db2.gz XMZLRTGYOZWSPH-CQSZACIVSA-N 0 3 292.427 2.196 20 30 CEEDHN C[C@@](O)(CNCc1cccc(C#N)n1)c1cccc(F)c1 ZINC000896564740 630599463 /nfs/dbraw/zinc/59/94/63/630599463.db2.gz SGJUXKNGSABAMZ-MRXNPFEDSA-N 0 3 285.322 2.090 20 30 CEEDHN C[C@@H](NC1CCN(CC(F)F)CC1)c1cc(C#N)ccn1 ZINC000902782868 634827495 /nfs/dbraw/zinc/82/74/95/634827495.db2.gz PRZDTPWWGZDORR-LLVKDONJSA-N 0 3 294.349 2.333 20 30 CEEDHN Cn1ccc(CN2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 ZINC000896654145 630626474 /nfs/dbraw/zinc/62/64/74/630626474.db2.gz KIBRBCLMJXHUIW-INIZCTEOSA-N 0 3 295.390 2.368 20 30 CEEDHN COc1ccc([C@@H](NC(C)C)C(=O)NC[C@H](C)C#N)cc1 ZINC000896742356 630649244 /nfs/dbraw/zinc/64/92/44/630649244.db2.gz LILXIAIVBZUAOP-IUODEOHRSA-N 0 3 289.379 2.010 20 30 CEEDHN C#Cc1cncc(C(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000798273267 630850224 /nfs/dbraw/zinc/85/02/24/630850224.db2.gz WDAFGQVBGNZPLW-QGZVFWFLSA-N 0 3 293.370 2.096 20 30 CEEDHN C#C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000798553370 630889674 /nfs/dbraw/zinc/88/96/74/630889674.db2.gz SUILQUMSUXPAAI-IRXDYDNUSA-N 0 3 299.418 2.218 20 30 CEEDHN CC(C)(C)OC(=O)N1CC(CN2CCC(C)(C#N)CC2)C1 ZINC000800371523 631116128 /nfs/dbraw/zinc/11/61/28/631116128.db2.gz ZTGSAKQGUDPGDN-UHFFFAOYSA-N 0 3 293.411 2.479 20 30 CEEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000800385389 631117249 /nfs/dbraw/zinc/11/72/49/631117249.db2.gz XSRHMKIEWQHCIE-NEPJUHHUSA-N 0 3 250.342 2.144 20 30 CEEDHN CCC1(CC)CNC(=O)[C@H]1N[C@@H](C)CC(C)(C)C#N ZINC000897341869 631146313 /nfs/dbraw/zinc/14/63/13/631146313.db2.gz NEZMBZICLKHJIA-NWDGAFQWSA-N 0 3 265.401 2.209 20 30 CEEDHN C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC000985984130 631198973 /nfs/dbraw/zinc/19/89/73/631198973.db2.gz ICSJVBJEQVHJEF-JSGCOSHPSA-N 0 3 274.364 2.161 20 30 CEEDHN C[C@H](C#N)OCCN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000801917563 631353750 /nfs/dbraw/zinc/35/37/50/631353750.db2.gz HLVTUJDDCFLJQO-TZMCWYRMSA-N 0 3 288.347 2.481 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC[C@H](Nc2ccccc2)C1 ZINC000801933513 631360208 /nfs/dbraw/zinc/36/02/08/631360208.db2.gz BTIBQRSVDBIATI-HOCLYGCPSA-N 0 3 273.380 2.492 20 30 CEEDHN C[C@H](C#N)OCCN[C@H](Cn1cccn1)c1ccccc1 ZINC000801933475 631361001 /nfs/dbraw/zinc/36/10/01/631361001.db2.gz SYSNCHXCOOAGSM-GDBMZVCRSA-N 0 3 284.363 2.143 20 30 CEEDHN N#CC(C(=O)Cc1ccc(Cl)s1)C(=O)N1CCCC1 ZINC000802037578 631377203 /nfs/dbraw/zinc/37/72/03/631377203.db2.gz LSKLJHTVVFIQEX-SNVBAGLBSA-N 0 3 296.779 2.275 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000321515934 631411526 /nfs/dbraw/zinc/41/15/26/631411526.db2.gz WRSMUZMVFKTCOH-NSHDSACASA-N 0 3 270.716 2.275 20 30 CEEDHN C[C@H]1CCCN1CCNC(=O)c1[nH]c2ccccc2c1C#N ZINC000897429305 631420494 /nfs/dbraw/zinc/42/04/94/631420494.db2.gz CEGSSBJPOAVLSI-LBPRGKRZSA-N 0 3 296.374 2.254 20 30 CEEDHN C#CCCCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000806876810 631785867 /nfs/dbraw/zinc/78/58/67/631785867.db2.gz DDGPPXZTNLUQKM-ZBFHGGJFSA-N 0 3 287.407 2.390 20 30 CEEDHN CC[C@@H]1C[C@H](CNCc2nc(C#N)cs2)CCO1 ZINC000897628333 631836314 /nfs/dbraw/zinc/83/63/14/631836314.db2.gz GWPOBGAOZLKSBL-ZYHUDNBSSA-N 0 3 265.382 2.310 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000876069148 650040402 /nfs/dbraw/zinc/04/04/02/650040402.db2.gz NWDZHXQVXGZJKM-DOTOQJQBSA-N 0 3 299.418 2.232 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc[nH]c2C2CCC2)C1 ZINC000989448778 631999258 /nfs/dbraw/zinc/99/92/58/631999258.db2.gz XLCYLJQTHQCVJR-OCCSQVGLSA-N 0 3 285.391 2.108 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CCC(C)(CC(C)C)CC1 ZINC000808779321 632015464 /nfs/dbraw/zinc/01/54/64/632015464.db2.gz UFELLKJXMCQCEK-AWEZNQCLSA-N 0 3 264.413 2.273 20 30 CEEDHN C[C@@H](C#N)OCCN(C)Cc1ccccc1N(C)C ZINC000808785929 632016482 /nfs/dbraw/zinc/01/64/82/632016482.db2.gz ZSOBMBCFOZVLTR-ZDUSSCGKSA-N 0 3 261.369 2.113 20 30 CEEDHN C#Cc1ccc(CNCc2ccc(OCCOC)nc2)cc1 ZINC000809606528 632109755 /nfs/dbraw/zinc/10/97/55/632109755.db2.gz VYWACTWDKDMPLO-UHFFFAOYSA-N 0 3 296.370 2.378 20 30 CEEDHN C#CCN1CCC(C(=O)NCC(C)(C)C(C)(F)F)CC1 ZINC000825861949 635723243 /nfs/dbraw/zinc/72/32/43/635723243.db2.gz BGQGWHGVIRFSBD-UHFFFAOYSA-N 0 3 286.366 2.129 20 30 CEEDHN C=C(C)CC[N@@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810068948 632176367 /nfs/dbraw/zinc/17/63/67/632176367.db2.gz CSEKILBMBFVMIX-NSHDSACASA-N 0 3 278.318 2.343 20 30 CEEDHN C=C(C)CC[N@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810068948 632176371 /nfs/dbraw/zinc/17/63/71/632176371.db2.gz CSEKILBMBFVMIX-NSHDSACASA-N 0 3 278.318 2.343 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(Cl)c(F)c2)C1 ZINC000989475918 632181376 /nfs/dbraw/zinc/18/13/76/632181376.db2.gz GKUBAMILTXEMPJ-CMPLNLGQSA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(F)cc(Cl)c2)C1 ZINC000989475605 632181713 /nfs/dbraw/zinc/18/17/13/632181713.db2.gz AVNJUSHOLWDPGE-YGRLFVJLSA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCN[C@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810126896 632182840 /nfs/dbraw/zinc/18/28/40/632182840.db2.gz OHTSEKLGHVUTKG-CYBMUJFWSA-N 0 3 256.349 2.487 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccsc2Cl)C1 ZINC000989524102 632197678 /nfs/dbraw/zinc/19/76/78/632197678.db2.gz VCSBIKOREASQGM-VHSXEESVSA-N 0 3 282.796 2.227 20 30 CEEDHN Cc1cccc(CC(=O)C(C#N)C(=O)NC(C)C)c1Cl ZINC000810532410 632223561 /nfs/dbraw/zinc/22/35/61/632223561.db2.gz DOFMUFBPOYVINX-GFCCVEGCSA-N 0 3 292.766 2.424 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CC(C2CC2)C2CC2)C1 ZINC000989832720 632248802 /nfs/dbraw/zinc/24/88/02/632248802.db2.gz WHFMPYKXUHQICZ-DOMZBBRYSA-N 0 3 274.408 2.025 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)C3CCCC3)CCC[C@@H]12 ZINC000989904114 632274140 /nfs/dbraw/zinc/27/41/40/632274140.db2.gz YHYMDAVHQJJIDX-NVXWUHKLSA-N 0 3 274.408 2.313 20 30 CEEDHN C#CCCN1CC[C@@]2(NC(=O)c3cccs3)CCC[C@@H]12 ZINC000989926178 632283816 /nfs/dbraw/zinc/28/38/16/632283816.db2.gz WWARDEYRQLPCQE-ZBFHGGJFSA-N 0 3 288.416 2.498 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3CC=CCC3)CCC[C@@H]12 ZINC000989944342 632286281 /nfs/dbraw/zinc/28/62/81/632286281.db2.gz BHOJMOABQKAYBI-BFYDXBDKSA-N 0 3 272.392 2.089 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3cnccc3C)CCC[C@H]12 ZINC000990121636 632316525 /nfs/dbraw/zinc/31/65/25/632316525.db2.gz RAWOGMAVLWMPQL-DOTOQJQBSA-N 0 3 285.391 2.303 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3cncc(C)c3)CCC[C@H]12 ZINC000990119700 632318027 /nfs/dbraw/zinc/31/80/27/632318027.db2.gz DQEGQEIJKUZKNT-RDJZCZTQSA-N 0 3 285.391 2.303 20 30 CEEDHN C=CCCCCOC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000811009628 632323772 /nfs/dbraw/zinc/32/37/72/632323772.db2.gz ZMKAOLVVVNXPJU-VHSXEESVSA-N 0 3 293.285 2.343 20 30 CEEDHN C=CCCCCOC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000811009629 632324147 /nfs/dbraw/zinc/32/41/47/632324147.db2.gz ZMKAOLVVVNXPJU-ZJUUUORDSA-N 0 3 293.285 2.343 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3cc[nH]c3C)CCC[C@H]12 ZINC000990178154 632324682 /nfs/dbraw/zinc/32/46/82/632324682.db2.gz VUHRXUQACSQUTF-RDJZCZTQSA-N 0 3 285.391 2.073 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)C=C3CCC3)CCC[C@H]12 ZINC000990194509 632325864 /nfs/dbraw/zinc/32/58/64/632325864.db2.gz UKVQLBRAOIICLN-DOTOQJQBSA-N 0 3 272.392 2.233 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)C=C3CCC3)CCC[C@@H]12 ZINC000990194511 632326348 /nfs/dbraw/zinc/32/63/48/632326348.db2.gz UKVQLBRAOIICLN-NVXWUHKLSA-N 0 3 272.392 2.233 20 30 CEEDHN CC[C@@H](O)CNN=Cc1ccc(N(CC)CC)cc1 ZINC000811656391 632416430 /nfs/dbraw/zinc/41/64/30/632416430.db2.gz LFLWQIUAULZTKG-OAHLLOKOSA-N 0 3 263.385 2.227 20 30 CEEDHN C=CC(C)(C)NCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000898460772 632504687 /nfs/dbraw/zinc/50/46/87/632504687.db2.gz RRYVGUZNVXHTOQ-UHFFFAOYSA-N 0 3 288.800 2.042 20 30 CEEDHN C#CCN(C(=O)Nc1cccc(F)c1)C1CCN(C)CC1 ZINC000899459565 632864565 /nfs/dbraw/zinc/86/45/65/632864565.db2.gz GFJGIXRQGHAIIP-UHFFFAOYSA-N 0 3 289.354 2.387 20 30 CEEDHN COC(=O)C(C)(C)CC=Nn1cnnc1-c1ccccc1 ZINC000814780074 632895280 /nfs/dbraw/zinc/89/52/80/632895280.db2.gz YCRYUUJUILKZCG-UHFFFAOYSA-N 0 3 286.335 2.368 20 30 CEEDHN C=CCC(F)(F)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000815132729 632967273 /nfs/dbraw/zinc/96/72/73/632967273.db2.gz JZPXCAKGBQSSLL-LBPRGKRZSA-N 0 3 274.355 2.434 20 30 CEEDHN C=CCC(F)(F)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000815132728 632967625 /nfs/dbraw/zinc/96/76/25/632967625.db2.gz JZPXCAKGBQSSLL-GFCCVEGCSA-N 0 3 274.355 2.434 20 30 CEEDHN C=CCC(F)(F)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000815631738 633040580 /nfs/dbraw/zinc/04/05/80/633040580.db2.gz PDRZVGSWXNOCPR-NSHDSACASA-N 0 3 260.328 2.188 20 30 CEEDHN CCCCCCCC(=O)N[C@@H](CO)CN1CCCCC1 ZINC000816567046 633413977 /nfs/dbraw/zinc/41/39/77/633413977.db2.gz OVDIUECJGUDIGE-OAHLLOKOSA-N 0 3 284.444 2.310 20 30 CEEDHN C#CCN1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]1C ZINC000817294792 633622707 /nfs/dbraw/zinc/62/27/07/633622707.db2.gz TZMQQOPLMVWYPC-MCIONIFRSA-N 0 3 280.412 2.491 20 30 CEEDHN CC1(C)[C@@H](c2ccccc2)CCN1CC(=O)NCCC#N ZINC000817297362 633623613 /nfs/dbraw/zinc/62/36/13/633623613.db2.gz PVUHTDDFIRSIDA-OAHLLOKOSA-N 0 3 285.391 2.284 20 30 CEEDHN N#CCN(C(=O)c1ccc(NC2=NCCC2)cc1)C1CC1 ZINC000900360867 633682878 /nfs/dbraw/zinc/68/28/78/633682878.db2.gz SXVVMAZJSUYOAO-UHFFFAOYSA-N 0 3 282.347 2.419 20 30 CEEDHN CCc1ccc(C#CC(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000817679455 633719278 /nfs/dbraw/zinc/71/92/78/633719278.db2.gz SVVXLGCRQDSXAO-KRWDZBQOSA-N 0 3 284.403 2.153 20 30 CEEDHN C[C@@H](N[C@@H]1CNCCC1(F)F)c1ccc(OCC#N)cc1 ZINC000817981268 633824681 /nfs/dbraw/zinc/82/46/81/633824681.db2.gz QUJZPZNLFIVMHW-BXUZGUMPSA-N 0 3 295.333 2.237 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc(C(OC)OC)ccc1F ZINC000818204187 633881639 /nfs/dbraw/zinc/88/16/39/633881639.db2.gz QGJJAJFKNLYOKM-ZDUSSCGKSA-N 0 3 283.343 2.144 20 30 CEEDHN O[C@H](CNCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000818946386 634013124 /nfs/dbraw/zinc/01/31/24/634013124.db2.gz LRCICUWFHSPMAR-CQSZACIVSA-N 0 3 283.293 2.417 20 30 CEEDHN N#CCC[C@H](C#N)CNC[C@@H]1CCCN1CC(F)(F)F ZINC000901572375 634194921 /nfs/dbraw/zinc/19/49/21/634194921.db2.gz KNDKDCMKORIOHL-NEPJUHHUSA-N 0 3 288.317 2.046 20 30 CEEDHN CCCn1cc([C@@H](C)N[C@H]2CC[C@@H](CC#N)C2)nn1 ZINC000903006000 634935689 /nfs/dbraw/zinc/93/56/89/634935689.db2.gz CFNVNJMPNKSYTI-AGIUHOORSA-N 0 3 261.373 2.421 20 30 CEEDHN CC[C@H](NC(COC)COC)c1cccc(C#N)c1 ZINC000903010397 634937697 /nfs/dbraw/zinc/93/76/97/634937697.db2.gz LESIEKMGDOCYKZ-HNNXBMFYSA-N 0 3 262.353 2.260 20 30 CEEDHN C[C@H](NC[C@@H]1CCCC[C@H]1O)c1cc(C#N)ccn1 ZINC000903013138 634938291 /nfs/dbraw/zinc/93/82/91/634938291.db2.gz XJFQOELTRLQCQN-CORIIIEPSA-N 0 3 259.353 2.155 20 30 CEEDHN COC[C@H](N[C@@H](C)c1cc(C#N)ccn1)[C@@H]1CCCOC1 ZINC000903095382 634975885 /nfs/dbraw/zinc/97/58/85/634975885.db2.gz VXXXSBHOYQNOPG-BJJXKVORSA-N 0 3 289.379 2.045 20 30 CEEDHN CN(C)c1ccnc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000903199443 635009041 /nfs/dbraw/zinc/00/90/41/635009041.db2.gz XMAIZSYRTORJLC-STQMWFEESA-N 0 3 258.369 2.320 20 30 CEEDHN N#Cc1ccc(F)c(C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000825555954 635663043 /nfs/dbraw/zinc/66/30/43/635663043.db2.gz MJDHSLMLKCJDAJ-ZDUSSCGKSA-N 0 3 287.338 2.008 20 30 CEEDHN C#C[C@H](NCc1ccnn1-c1ccncc1)C(C)C ZINC000825878398 635725520 /nfs/dbraw/zinc/72/55/20/635725520.db2.gz MNZBEUOWDJUACX-HNNXBMFYSA-N 0 3 254.337 2.015 20 30 CEEDHN Oc1cccc(/C=N\[C@@H]2CCCN3CCSC[C@H]23)c1O ZINC000905003032 635773530 /nfs/dbraw/zinc/77/35/30/635773530.db2.gz OFZWEXRNGHGMGG-LINIDBDUSA-N 0 3 292.404 2.097 20 30 CEEDHN CC1/C(=C/c2ccc(N(C)C)cc2)C(=O)c2ncnn21 ZINC000905083111 635798237 /nfs/dbraw/zinc/79/82/37/635798237.db2.gz YYHANBCTWKNBLM-AAIQCTMTSA-N 0 3 268.320 2.185 20 30 CEEDHN CC1/C(=C/c2c(C3CCC3)cnn2C)C(=O)c2ncnn21 ZINC000905086716 635800500 /nfs/dbraw/zinc/80/05/00/635800500.db2.gz UBUSHWBFMJTQFL-ISAHRAOESA-N 0 3 283.335 2.120 20 30 CEEDHN C#CCOc1ccc(CN(C)CC2=CCCOC2)cc1 ZINC000827185826 636250172 /nfs/dbraw/zinc/25/01/72/636250172.db2.gz YCMXTYACFOJEQL-UHFFFAOYSA-N 0 3 271.360 2.477 20 30 CEEDHN CN1CCN(c2ccc(CN3CC[C@@](C)(C#N)C3)cc2)CC1 ZINC000827650653 636376294 /nfs/dbraw/zinc/37/62/94/636376294.db2.gz SRTYBOZCANSIAP-SFHVURJKSA-N 0 3 298.434 2.174 20 30 CEEDHN C=CC[C@@H](NC[C@H]1CCN1C1CCCCC1)C(=O)OC ZINC000905775422 636432741 /nfs/dbraw/zinc/43/27/41/636432741.db2.gz XBTMUMDDPQVZMX-HUUCEWRRSA-N 0 3 280.412 2.101 20 30 CEEDHN C#CCCN(CCOC)Cc1ccc(OCC#C)cc1 ZINC000827823653 636434668 /nfs/dbraw/zinc/43/46/68/636434668.db2.gz SKWCGJCUUWLDQZ-UHFFFAOYSA-N 0 3 271.360 2.170 20 30 CEEDHN Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000906411478 636728162 /nfs/dbraw/zinc/72/81/62/636728162.db2.gz PIADNXMDXHLROF-OAHLLOKOSA-N 0 3 297.402 2.071 20 30 CEEDHN CN(CCN1CCCC1)C(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000906558130 636773729 /nfs/dbraw/zinc/77/37/29/636773729.db2.gz DSBSDGIPDNTPDO-VMBOVVBDSA-N 0 3 289.423 2.261 20 30 CEEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)N[C@H](C)CC)C1 ZINC000829774872 636927895 /nfs/dbraw/zinc/92/78/95/636927895.db2.gz VQPQJGDLYIUJBB-HZSPNIEDSA-N 0 3 250.386 2.025 20 30 CEEDHN CC(C)C#CC(=O)N(CCN(C)C)Cc1cccs1 ZINC000829837036 636940817 /nfs/dbraw/zinc/94/08/17/636940817.db2.gz YVXROTYLYROJQB-UHFFFAOYSA-N 0 3 278.421 2.298 20 30 CEEDHN C#CCNC(=O)CN1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000830434629 637070727 /nfs/dbraw/zinc/07/07/27/637070727.db2.gz MMGKNWZDUVNOPA-FMKPAKJESA-N 0 3 270.376 2.002 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)c2ccsc2C#N)C1 ZINC000907778914 637126096 /nfs/dbraw/zinc/12/60/96/637126096.db2.gz SJMHGWLAIJOYAT-UHFFFAOYSA-N 0 3 291.420 2.472 20 30 CEEDHN C#CCCCN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000830739042 637141377 /nfs/dbraw/zinc/14/13/77/637141377.db2.gz JDXUQMWPRRNMCO-HZPDHXFCSA-N 0 3 261.340 2.200 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1c2ccccc2C[C@@H]1C ZINC000876544575 650315663 /nfs/dbraw/zinc/31/56/63/650315663.db2.gz WKXHNFIOLZATJO-CMPLNLGQSA-N 0 3 264.756 2.434 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000876558090 650326317 /nfs/dbraw/zinc/32/63/17/650326317.db2.gz NZUGPIGSQMCCJW-KOLCDFICSA-N 0 3 282.775 2.263 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc2c(s1)CCC2 ZINC000876565398 650333345 /nfs/dbraw/zinc/33/33/45/650333345.db2.gz ICLHPQRZOIEYGC-SSDOTTSWSA-N 0 3 271.773 2.040 20 30 CEEDHN C[C@H](CC#N)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908576037 637417328 /nfs/dbraw/zinc/41/73/28/637417328.db2.gz XPLYBJXDDYFXPO-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCSC(C)(C)C ZINC000876594004 650335874 /nfs/dbraw/zinc/33/58/74/650335874.db2.gz QOVRPVTWJJRKPM-SECBINFHSA-N 0 3 264.822 2.104 20 30 CEEDHN CC(C)C#CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000832238739 637525488 /nfs/dbraw/zinc/52/54/88/637525488.db2.gz ZBCLMMMJCYPCOP-DOTOQJQBSA-N 0 3 284.403 2.283 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(OCC(C)C)CC1 ZINC000876611419 650359140 /nfs/dbraw/zinc/35/91/40/650359140.db2.gz DYZFDTHMPYVIET-ZDUSSCGKSA-N 0 3 288.819 2.120 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)C(C1CC1)C1CC1 ZINC000876632806 650361384 /nfs/dbraw/zinc/36/13/84/650361384.db2.gz XPAQCCSYOBCGDM-LLVKDONJSA-N 0 3 256.777 2.103 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)CCC(F)(F)F ZINC000876634908 650369288 /nfs/dbraw/zinc/36/92/88/650369288.db2.gz GDQOTTCSMMYHON-MRVPVSSYSA-N 0 3 272.698 2.257 20 30 CEEDHN C#CCN(CC)Cc1ccnc2c(C(=O)OC)cccc12 ZINC000876638701 650370722 /nfs/dbraw/zinc/37/07/22/650370722.db2.gz GJRPGWUXZOTZIC-UHFFFAOYSA-N 0 3 282.343 2.477 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1C(C)(C)C ZINC000876643316 650371554 /nfs/dbraw/zinc/37/15/54/650371554.db2.gz WWKNCNOYEUWPSS-MNOVXSKESA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2ccc(F)cc2)CC1 ZINC000876644599 650372862 /nfs/dbraw/zinc/37/28/62/650372862.db2.gz BAJOCTGJQNILMY-LBPRGKRZSA-N 0 3 282.746 2.401 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000876649588 650376000 /nfs/dbraw/zinc/37/60/00/650376000.db2.gz ADJHGEUSTYTGJU-STQMWFEESA-N 0 3 282.746 2.399 20 30 CEEDHN C#CCOc1ccc([C@H](C)N[C@@H]2COC[C@H]2OCC)cc1 ZINC000834902885 637982513 /nfs/dbraw/zinc/98/25/13/637982513.db2.gz DRTWOXPHQMZDLV-IAOVAPTHSA-N 0 3 289.375 2.153 20 30 CEEDHN C#Cc1cccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000834903822 637982899 /nfs/dbraw/zinc/98/28/99/637982899.db2.gz SZWPVXZNXSJLAY-HOTGVXAUSA-N 0 3 291.416 2.113 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(CC)(CC)C1 ZINC000876658318 650382523 /nfs/dbraw/zinc/38/25/23/650382523.db2.gz SIJJPGQAWDYGNC-NSHDSACASA-N 0 3 258.793 2.495 20 30 CEEDHN C[C@@H]1CN=C(NN=C2CC[C@@H](C)c3ccsc32)N1 ZINC000834970397 638003400 /nfs/dbraw/zinc/00/34/00/638003400.db2.gz MOQPBRIUPICPSE-RKDXNWHRSA-N 0 3 262.382 2.287 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ncc(C(C)(C)C)o1 ZINC000876666394 650388617 /nfs/dbraw/zinc/38/86/17/650388617.db2.gz QKYFKDZIDOYEJV-VIFPVBQESA-N 0 3 285.775 2.058 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000876675484 650394385 /nfs/dbraw/zinc/39/43/85/650394385.db2.gz BRVZFNNYFRBZIU-CYBMUJFWSA-N 0 3 296.773 2.443 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(F)c(OC)cc1F ZINC000876695102 650403256 /nfs/dbraw/zinc/40/32/56/650403256.db2.gz ZVIGOQAPIQGOHR-SECBINFHSA-N 0 3 290.697 2.382 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)c1nc(C)cs1 ZINC000876754825 650421417 /nfs/dbraw/zinc/42/14/17/650421417.db2.gz FUVYBVOKFJGVMW-NXEZZACHSA-N 0 3 287.816 2.489 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000911882554 638452935 /nfs/dbraw/zinc/45/29/35/638452935.db2.gz IQONHYWJFFXIIB-AWEZNQCLSA-N 0 3 275.352 2.267 20 30 CEEDHN CCCCCCCC[C@H](N)C(=O)NC[C@H]1CCCO1 ZINC000911894240 638458695 /nfs/dbraw/zinc/45/86/95/638458695.db2.gz CZAIBAZSUGAEQT-KGLIPLIRSA-N 0 3 270.417 2.360 20 30 CEEDHN CCCCCCCC[C@H](N)C(=O)NC[C@@H]1CCCO1 ZINC000911894239 638458885 /nfs/dbraw/zinc/45/88/85/638458885.db2.gz CZAIBAZSUGAEQT-KBPBESRZSA-N 0 3 270.417 2.360 20 30 CEEDHN CCCCCCCC(=O)N(CCO)C1CCN(C)CC1 ZINC000911935904 638490608 /nfs/dbraw/zinc/49/06/08/638490608.db2.gz PDZCYNMDRJVISP-UHFFFAOYSA-N 0 3 284.444 2.262 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N(C)CCOc1ccc(F)cc1 ZINC000912141424 638580418 /nfs/dbraw/zinc/58/04/18/638580418.db2.gz YFAFHWNDAKXBDH-HNNXBMFYSA-N 0 3 294.370 2.347 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912184211 638599636 /nfs/dbraw/zinc/59/96/36/638599636.db2.gz UWOOJAAZLVPDMY-CYBMUJFWSA-N 0 3 289.335 2.168 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)C[C@H](C)CC ZINC000836329923 638602656 /nfs/dbraw/zinc/60/26/56/638602656.db2.gz XKCGPRMLVXKHRO-ZIAGYGMSSA-N 0 3 267.417 2.065 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000912217098 638613586 /nfs/dbraw/zinc/61/35/86/638613586.db2.gz BLUAVPPYQMDVBO-CQSZACIVSA-N 0 3 284.363 2.494 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000836416475 638627892 /nfs/dbraw/zinc/62/78/92/638627892.db2.gz AADIIBSVTSZYKF-CQSZACIVSA-N 0 3 279.428 2.210 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1C(=O)N(C)C ZINC000912359590 638658692 /nfs/dbraw/zinc/65/86/92/638658692.db2.gz JHSHDXIUHCGXIK-CYBMUJFWSA-N 0 3 289.379 2.011 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCc1c(F)cccc1F ZINC000912406663 638682006 /nfs/dbraw/zinc/68/20/06/638682006.db2.gz OZAZVVWQERRATN-AWEZNQCLSA-N 0 3 282.334 2.307 20 30 CEEDHN Cc1cc(C#N)cc(C)c1CC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000912765323 639011969 /nfs/dbraw/zinc/01/19/69/639011969.db2.gz AOSHZVFOARLBCE-QGZVFWFLSA-N 0 3 299.418 2.174 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000876874437 650467949 /nfs/dbraw/zinc/46/79/49/650467949.db2.gz FZWHHCCKISZZKJ-ADEWGFFLSA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCNc1cccc(F)c1 ZINC000876907045 650481372 /nfs/dbraw/zinc/48/13/72/650481372.db2.gz AVSXEWVMRDVGLR-CYBMUJFWSA-N 0 3 299.777 2.214 20 30 CEEDHN C[C@H](NC(=O)C#CC1CC1)[C@H](c1ccccc1)N(C)C ZINC000837539717 639273522 /nfs/dbraw/zinc/27/35/22/639273522.db2.gz WGCMJOHWVLTISF-SUMWQHHRSA-N 0 3 270.376 2.207 20 30 CEEDHN C=C(C)COCCNC[C@@H](O)c1c(F)cccc1F ZINC000163794128 639329624 /nfs/dbraw/zinc/32/96/24/639329624.db2.gz UHWMJIJJZBJBLQ-CYBMUJFWSA-N 0 3 271.307 2.181 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000876936189 650493298 /nfs/dbraw/zinc/49/32/98/650493298.db2.gz XYIJBUXOUOSVHV-MGPQQGTHSA-N 0 3 278.783 2.376 20 30 CEEDHN N#C[C@]1(C(=O)OCCN2CCCCC2)CC12CCCC2 ZINC000837903044 639438933 /nfs/dbraw/zinc/43/89/33/639438933.db2.gz QQUDCDADYNNBMB-INIZCTEOSA-N 0 3 276.380 2.490 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000876967848 639447914 /nfs/dbraw/zinc/44/79/14/639447914.db2.gz MHRNMEXWLKEQCC-RHYQMDGZSA-N 0 3 256.777 2.009 20 30 CEEDHN CC(C)(C)[C@H](Cn1ccnc1)NCc1cccc(C#N)n1 ZINC000876957122 650505200 /nfs/dbraw/zinc/50/52/00/650505200.db2.gz UWAOEVSWLKLVLD-HNNXBMFYSA-N 0 3 283.379 2.354 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000876963806 650509446 /nfs/dbraw/zinc/50/94/46/650509446.db2.gz YNSVZWHMFQFSHH-LEWSCRJBSA-N 0 3 278.783 2.301 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(OC)c1C ZINC000876979185 650517108 /nfs/dbraw/zinc/51/71/08/650517108.db2.gz WMFZHTQHJIIAKI-GFCCVEGCSA-N 0 3 282.771 2.090 20 30 CEEDHN C#Cc1cccc(NC(=O)CN(C)C[Si](C)(C)C)c1 ZINC000171733733 639728105 /nfs/dbraw/zinc/72/81/05/639728105.db2.gz KKRSTTGPFJNSOJ-UHFFFAOYSA-N 0 3 274.440 2.416 20 30 CEEDHN CC(NNc1ccc(-n2ccnc2)nn1)=C1CC1(F)F ZINC000841636568 639805502 /nfs/dbraw/zinc/80/55/02/639805502.db2.gz WKDYIUISUCUXLQ-SECBINFHSA-N 0 3 278.266 2.105 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)c1ccc(C)cn1 ZINC000877011689 650531243 /nfs/dbraw/zinc/53/12/43/650531243.db2.gz HBJJXZFTCIZGTB-GFCCVEGCSA-N 0 3 295.814 2.254 20 30 CEEDHN C=CC[C@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccncc1 ZINC000841824735 639872521 /nfs/dbraw/zinc/87/25/21/639872521.db2.gz HFCUWYMQTCHTRS-NFAWXSAZSA-N 0 3 288.395 2.091 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)C[C@@H]3C[C@H]3C3CC3)CCC[C@@H]12 ZINC000991935396 639876916 /nfs/dbraw/zinc/87/69/16/639876916.db2.gz RBPXGTRBMIOEIB-CUSZFKRNSA-N 0 3 286.419 2.169 20 30 CEEDHN C=CCOCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000173967724 639887281 /nfs/dbraw/zinc/88/72/81/639887281.db2.gz QUSUSGCEJGUEGC-AWEZNQCLSA-N 0 3 286.331 2.317 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H]3CC=CCC3)CCC[C@@H]12 ZINC000992121229 639966270 /nfs/dbraw/zinc/96/62/70/639966270.db2.gz SNXZLCOKQODMHG-JFIYKMOQSA-N 0 3 286.419 2.479 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)c3cc[nH]c3CCC)CCC[C@H]12 ZINC000992129513 639969392 /nfs/dbraw/zinc/96/93/92/639969392.db2.gz MUWQVQYFGDGHPB-FUHWJXTLSA-N 0 3 299.418 2.327 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C3CCC(=C)CC3)CCC[C@@H]12 ZINC000992156500 639976072 /nfs/dbraw/zinc/97/60/72/639976072.db2.gz WIPAOLFQVPMEQH-SJLPKXTDSA-N 0 3 286.419 2.479 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C3CCC(=C)CC3)CCC[C@H]12 ZINC000992156497 639976130 /nfs/dbraw/zinc/97/61/30/639976130.db2.gz WIPAOLFQVPMEQH-FUHWJXTLSA-N 0 3 286.419 2.479 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)C3CC4(CC4)C3)CCC[C@H]12 ZINC000992181743 639981695 /nfs/dbraw/zinc/98/16/95/639981695.db2.gz WBYCJZYOVTUORY-MAUKXSAKSA-N 0 3 286.419 2.313 20 30 CEEDHN N#Cc1cnc(Cl)c(CNCC2(O)CCCC2)c1 ZINC000877035230 650541200 /nfs/dbraw/zinc/54/12/00/650541200.db2.gz FFPXRNJEIVBGBB-UHFFFAOYSA-N 0 3 265.744 2.001 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3nc(C)oc3C)CCC[C@H]12 ZINC000992348077 640029934 /nfs/dbraw/zinc/02/99/34/640029934.db2.gz DMNYXGJNOURIHW-BBRMVZONSA-N 0 3 289.379 2.204 20 30 CEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3nocc3C)CCC[C@H]12 ZINC000992406883 640042276 /nfs/dbraw/zinc/04/22/76/640042276.db2.gz RTIBZACHYLKXMO-BBRMVZONSA-N 0 3 289.379 2.286 20 30 CEEDHN CCN(CCO)N=Cc1ccc(N2CCCCC2)cc1 ZINC000842534168 640091565 /nfs/dbraw/zinc/09/15/65/640091565.db2.gz HRFYQDXIKAQKNR-UHFFFAOYSA-N 0 3 275.396 2.325 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3c[nH]cc3C)CCC[C@H]12 ZINC000992478373 640112766 /nfs/dbraw/zinc/11/27/66/640112766.db2.gz PIEJDBPISUJJJJ-DOTOQJQBSA-N 0 3 285.391 2.073 20 30 CEEDHN C#CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000842628647 640124761 /nfs/dbraw/zinc/12/47/61/640124761.db2.gz DHEHCALDZMFCRN-LRDDRELGSA-N 0 3 287.359 2.053 20 30 CEEDHN C#CC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000842628647 640124766 /nfs/dbraw/zinc/12/47/66/640124766.db2.gz DHEHCALDZMFCRN-LRDDRELGSA-N 0 3 287.359 2.053 20 30 CEEDHN CC1(O)CCC(NCc2cc(C#N)cnc2Cl)CC1 ZINC000877074808 650560309 /nfs/dbraw/zinc/56/03/09/650560309.db2.gz DTBLOVVVBGBJJW-UHFFFAOYSA-N 0 3 279.771 2.390 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877095592 650569864 /nfs/dbraw/zinc/56/98/64/650569864.db2.gz RMJMBUIEAWPBLG-HZMBPMFUSA-N 0 3 290.798 2.179 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C)n2C)[C@@H]1C ZINC000993010380 640401820 /nfs/dbraw/zinc/40/18/20/640401820.db2.gz GAHWWJVTYRHSPV-LSDHHAIUSA-N 0 3 289.423 2.492 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(CC)n[nH]2)[C@H]1C ZINC000993059976 640421916 /nfs/dbraw/zinc/42/19/16/640421916.db2.gz BOIOQKBXAUVIFE-OCCSQVGLSA-N 0 3 290.411 2.131 20 30 CEEDHN C#CC1CCN(Cc2cnc3cccc(C)n23)CC1 ZINC000843426670 640425564 /nfs/dbraw/zinc/42/55/64/640425564.db2.gz FWWZJIWBHNXSCP-UHFFFAOYSA-N 0 3 253.349 2.488 20 30 CEEDHN C[C@](O)(CNCc1cccc(C#N)n1)c1ccc(F)cc1 ZINC000877128803 650586024 /nfs/dbraw/zinc/58/60/24/650586024.db2.gz VRIDAKZVERKUDR-INIZCTEOSA-N 0 3 285.322 2.090 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C2CC(F)(F)C2)[C@@H]1C ZINC000993197348 640542293 /nfs/dbraw/zinc/54/22/93/640542293.db2.gz GVLQEQCTWKZLLB-WCQYABFASA-N 0 3 284.350 2.024 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C)sn2)[C@H]1C ZINC000993261056 640570174 /nfs/dbraw/zinc/57/01/74/640570174.db2.gz RVFCGRXLNHRANZ-OLZOCXBDSA-N 0 3 291.420 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C=CCN1CCC(N(C)C(=O)C2(C)CCC2)CC1 ZINC001005831079 643467777 /nfs/dbraw/zinc/46/77/77/643467777.db2.gz BVXDLTNFPQIQSQ-UHFFFAOYSA-N 0 3 250.386 2.285 20 30 CEEDHN C#CCN(C(=O)N[C@H](C)C(C)(C)C)C1CCN(C)CC1 ZINC000923085757 643553312 /nfs/dbraw/zinc/55/33/12/643553312.db2.gz XIHWJKVBSKXZSQ-CYBMUJFWSA-N 0 3 279.428 2.160 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2Cc3ccccc32)CC1 ZINC001005916421 643555990 /nfs/dbraw/zinc/55/59/90/643555990.db2.gz AWLDFBLXPPGBIR-KRWDZBQOSA-N 0 3 284.403 2.435 20 30 CEEDHN N#Cc1ccc(CN(C[C@@H]2C[C@H]3COC[C@H]3O2)C2CC2)cc1 ZINC000929366575 643586129 /nfs/dbraw/zinc/58/61/29/643586129.db2.gz BEZVJNKUBHUBGT-RYQLBKOJSA-N 0 3 298.386 2.327 20 30 CEEDHN COCCCON=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853345661 643750373 /nfs/dbraw/zinc/75/03/73/643750373.db2.gz IDTNGFBMGWSUPL-UHFFFAOYSA-N 0 3 292.379 2.035 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@H]2CC2(C)C)CC1 ZINC001016580964 643796995 /nfs/dbraw/zinc/79/69/95/643796995.db2.gz JIOWNSCFIAAPAB-ZIAGYGMSSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCCCC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000838184480 643871758 /nfs/dbraw/zinc/87/17/58/643871758.db2.gz BGIBQFKZBFOMHF-UHFFFAOYSA-N 0 3 278.421 2.442 20 30 CEEDHN C=CCONC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000838702773 643994817 /nfs/dbraw/zinc/99/48/17/643994817.db2.gz CILFSYUVXPTIIJ-UKRRQHHQSA-N 0 3 289.379 2.239 20 30 CEEDHN C=CCONC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000838708338 643997991 /nfs/dbraw/zinc/99/79/91/643997991.db2.gz ROWGRCPQGTXCPL-OAHLLOKOSA-N 0 3 289.379 2.068 20 30 CEEDHN C=CCONC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000838710614 644000068 /nfs/dbraw/zinc/00/00/68/644000068.db2.gz JIOJWRRXFZDFOE-OCCSQVGLSA-N 0 3 277.368 2.095 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1c(F)ccc2ccncc21 ZINC000854663833 644122201 /nfs/dbraw/zinc/12/22/01/644122201.db2.gz DYLBXWPBDABLGX-UHFFFAOYSA-N 0 3 299.349 2.059 20 30 CEEDHN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccccc1 ZINC000753933150 644296555 /nfs/dbraw/zinc/29/65/55/644296555.db2.gz CWRVZWSCIMHPRF-OKILXGFUSA-N 0 3 256.353 2.271 20 30 CEEDHN COC[C@@H](C)CC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000756232882 644618185 /nfs/dbraw/zinc/61/81/85/644618185.db2.gz HTLUCPTUEFOGHT-GXTWGEPZSA-N 0 3 288.347 2.315 20 30 CEEDHN C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756786466 644692712 /nfs/dbraw/zinc/69/27/12/644692712.db2.gz LUOJYMCMHWSVCZ-WDEREUQCSA-N 0 3 253.317 2.367 20 30 CEEDHN C#CC[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000757034479 644721969 /nfs/dbraw/zinc/72/19/69/644721969.db2.gz OVCSWXJXKFHAGO-WBVHZDCISA-N 0 3 297.402 2.287 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000757111076 644733011 /nfs/dbraw/zinc/73/30/11/644733011.db2.gz QHEUDSSLBSTUCX-CHWSQXEVSA-N 0 3 266.385 2.245 20 30 CEEDHN C#CCN(C(=O)CN1[C@H](C)CC[C@@H]1C)C1CCCC1 ZINC000757180012 644739705 /nfs/dbraw/zinc/73/97/05/644739705.db2.gz QTSOQTNGSPNJEA-OKILXGFUSA-N 0 3 262.397 2.264 20 30 CEEDHN CC[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2)O1 ZINC000757306318 644754263 /nfs/dbraw/zinc/75/42/63/644754263.db2.gz QPRVRLKXDMNXQM-MGPQQGTHSA-N 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C#CCCOc1ccc(CNC2(COC)CC2)cc1 ZINC000765269228 645751157 /nfs/dbraw/zinc/75/11/57/645751157.db2.gz FABFWMACCWPVLG-UHFFFAOYSA-N 0 3 259.349 2.357 20 30 CEEDHN C#CCCCN1CCN(c2ccc(F)cc2OC)CC1 ZINC000766906865 645935860 /nfs/dbraw/zinc/93/58/60/645935860.db2.gz WSABNSCODFAPKR-UHFFFAOYSA-N 0 3 276.355 2.370 20 30 CEEDHN C[C@H]1CC(=Nn2cnnc2)CN(Cc2ccccc2)C1 ZINC000767352166 645979830 /nfs/dbraw/zinc/97/98/30/645979830.db2.gz PAKCYELYXXSJGK-ZDUSSCGKSA-N 0 3 269.352 2.024 20 30 CEEDHN C#CCCCCC(=O)N(CC)C1CCN(C)CC1 ZINC000861892896 646293603 /nfs/dbraw/zinc/29/36/03/646293603.db2.gz XBROCZVXLNMRTP-UHFFFAOYSA-N 0 3 250.386 2.123 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)C#Cc2ccccc2)C1 ZINC000769707870 646303894 /nfs/dbraw/zinc/30/38/94/646303894.db2.gz NXDBAXQZCTWBBI-UHFFFAOYSA-N 0 3 284.403 2.276 20 30 CEEDHN C#CCOc1ccccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000769941991 646337652 /nfs/dbraw/zinc/33/76/52/646337652.db2.gz FURRFOTZUJXGJO-ZFWWWQNUSA-N 0 3 254.333 2.480 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2cccc3c2OCCO3)C1 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C#C[C@H](NCCC(=O)Nc1ccccc1C)[C@H]1CCCO1 ZINC000775789222 646992381 /nfs/dbraw/zinc/99/23/81/646992381.db2.gz LGULULRWCCBVRT-GOEBONIOSA-N 0 3 286.375 2.094 20 30 CEEDHN C#CCCN1CCN([C@H](CCOC)c2ccccc2)CC1 ZINC000776593875 647076683 /nfs/dbraw/zinc/07/66/83/647076683.db2.gz OPOMYIDRTGZPLI-GOSISDBHSA-N 0 3 286.419 2.405 20 30 CEEDHN C=C1CC(C)(C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000864955186 647139747 /nfs/dbraw/zinc/13/97/47/647139747.db2.gz GYMPBZNJFRWWDR-ZDUSSCGKSA-N 0 3 250.386 2.333 20 30 CEEDHN N#Cc1ccc(CCNCc2cn(C3CC3)cn2)cc1 ZINC000865621847 647392210 /nfs/dbraw/zinc/39/22/10/647392210.db2.gz CRACEEIBEDRPAI-UHFFFAOYSA-N 0 3 266.348 2.422 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN[C@@H]1COC2(CCC2)C1 ZINC000865625442 647394373 /nfs/dbraw/zinc/39/43/73/647394373.db2.gz MQCACJUPLKOOMU-HNNXBMFYSA-N 0 3 285.391 2.425 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CNCCO[C@@H]1CC1(F)F ZINC000865625659 647394737 /nfs/dbraw/zinc/39/47/37/647394737.db2.gz UBXRJPNFOSELCI-CQSZACIVSA-N 0 3 295.333 2.138 20 30 CEEDHN CCCCOC(=O)CCN1CCC(C)(C#N)CC1 ZINC000780336997 647418550 /nfs/dbraw/zinc/41/85/50/647418550.db2.gz RVPUEFPBEMBCLY-UHFFFAOYSA-N 0 3 252.358 2.345 20 30 CEEDHN N#Cc1ccccc1N1CCC(NCc2ncc[nH]2)CC1 ZINC000865697315 647429589 /nfs/dbraw/zinc/42/95/89/647429589.db2.gz XLBXZRBSAOQIBF-UHFFFAOYSA-N 0 3 281.363 2.040 20 30 CEEDHN C#CCCCCCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000780937240 647482003 /nfs/dbraw/zinc/48/20/03/647482003.db2.gz DVXIQTPGFVPWKD-HNNXBMFYSA-N 0 3 262.397 2.123 20 30 CEEDHN C=CCN1CCC(NC(=O)/C(C)=C(\C)CC)CC1 ZINC000780933319 647482198 /nfs/dbraw/zinc/48/21/98/647482198.db2.gz KFQFZPNLEVMIKF-OUKQBFOZSA-N 0 3 250.386 2.499 20 30 CEEDHN C#Cc1cnc(N[C@@H]2CCN(Cc3ccc(C)cc3)C2)nc1 ZINC000866116024 647615966 /nfs/dbraw/zinc/61/59/66/647615966.db2.gz FODMIQPPXIOFLO-QGZVFWFLSA-N 0 3 292.386 2.453 20 30 CEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1CCCCS1 ZINC000783362440 647710211 /nfs/dbraw/zinc/71/02/11/647710211.db2.gz HMLJUEATLZSSJF-WDEREUQCSA-N 0 3 289.360 2.015 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC2(CNC(=O)O2)CC1 ZINC000785486543 647932340 /nfs/dbraw/zinc/93/23/40/647932340.db2.gz JRJKLEVCUKSQIG-LBPRGKRZSA-N 0 3 285.347 2.194 20 30 CEEDHN CC[C@H](C)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786561396 648027034 /nfs/dbraw/zinc/02/70/34/648027034.db2.gz UFFUQIRWHCMXJC-JOYOIKCWSA-N 0 3 294.301 2.336 20 30 CEEDHN C[C@@H](C(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C1CC1 ZINC000787067836 648070205 /nfs/dbraw/zinc/07/02/05/648070205.db2.gz SXWCJTIFSQDPDU-DOMZBBRYSA-N 0 3 284.359 2.400 20 30 CEEDHN C[C@H]1C[C@@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787074992 648070762 /nfs/dbraw/zinc/07/07/62/648070762.db2.gz UEKKYRQAPKDXIY-UBHSHLNASA-N 0 3 270.332 2.010 20 30 CEEDHN C/C(C=Nn1cnnc1)=C\c1cccc([N+](=O)[O-])c1 ZINC000787144684 648079323 /nfs/dbraw/zinc/07/93/23/648079323.db2.gz LEDSPSIWNAMJES-TUYBVENNSA-N 0 3 257.253 2.124 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)c2sccc2CC#N)C1 ZINC000868808718 648273239 /nfs/dbraw/zinc/27/32/39/648273239.db2.gz DEQXMLHKRZNURD-ZDUSSCGKSA-N 0 3 291.420 2.369 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1coc(C#N)c1 ZINC000869274056 648397384 /nfs/dbraw/zinc/39/73/84/648397384.db2.gz OILNYHCVXCVHRN-GFCCVEGCSA-N 0 3 275.352 2.001 20 30 CEEDHN CC[C@](C)(CC(=O)OC)NCC#Cc1ccccc1 ZINC000792260709 648632011 /nfs/dbraw/zinc/63/20/11/648632011.db2.gz QCFDHPONSRLKIX-MRXNPFEDSA-N 0 3 259.349 2.360 20 30 CEEDHN C#CCOc1ccccc1CNCc1ncccc1O ZINC000793258143 648732894 /nfs/dbraw/zinc/73/28/94/648732894.db2.gz HKHIARZTJWSZDO-UHFFFAOYSA-N 0 3 268.316 2.089 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000123636245 649082636 /nfs/dbraw/zinc/08/26/36/649082636.db2.gz XJQYJAIVNYMSCH-UONOGXRCSA-N 0 3 298.427 2.303 20 30 CEEDHN N#CC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000123704468 649116793 /nfs/dbraw/zinc/11/67/93/649116793.db2.gz CMXSBNVLYCRTFD-UHFFFAOYSA-N 0 3 285.391 2.259 20 30 CEEDHN C[C@@H]1C(N=Nc2cnnc3ccccc23)CCN1C ZINC000872352399 649362497 /nfs/dbraw/zinc/36/24/97/649362497.db2.gz PZNXCKCDJMGFRV-SNVBAGLBSA-N 0 3 255.325 2.122 20 30 CEEDHN Cc1cccc([C@@H](C)C(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000124084712 649391162 /nfs/dbraw/zinc/39/11/62/649391162.db2.gz YKKISXBXFORLTL-TZMCWYRMSA-N 0 3 272.348 2.332 20 30 CEEDHN C#C[C@H]1CC[C@H](NC(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000873060612 649546861 /nfs/dbraw/zinc/54/68/61/649546861.db2.gz KCLWMXGAPHRXPD-RBSFLKMASA-N 0 3 291.439 2.350 20 30 CEEDHN C#CCCCCCN(C)[C@H](C)C(=O)NC(C)(C)C ZINC000878458058 651102428 /nfs/dbraw/zinc/10/24/28/651102428.db2.gz JJLQXTGPTWGPIH-CYBMUJFWSA-N 0 3 252.402 2.415 20 30 CEEDHN C#CCCCCCN(CC)C[C@@H](O)C(F)(F)F ZINC000878462416 651103120 /nfs/dbraw/zinc/10/31/20/651103120.db2.gz LTDHUWKDFWUABG-LLVKDONJSA-N 0 3 251.292 2.425 20 30 CEEDHN C=CC[C@@H](C(=O)OC)N1CCN(C)C2(CCCCC2)C1 ZINC000878665033 651158008 /nfs/dbraw/zinc/15/80/08/651158008.db2.gz BBFQRBAIAIYIGX-AWEZNQCLSA-N 0 3 280.412 2.054 20 30 CEEDHN C=CC[C@H](C(=O)OC)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000878666826 651158722 /nfs/dbraw/zinc/15/87/22/651158722.db2.gz VOJDTMDTFXKOQH-GBJTYRQASA-N 0 3 281.396 2.120 20 30 CEEDHN C[C@H]1CN(CC[C@H](O)c2ccccc2)C[C@H](C)N1CC#N ZINC000878773498 651183397 /nfs/dbraw/zinc/18/33/97/651183397.db2.gz YVSLQERTPWASSC-ZOBUZTSGSA-N 0 3 287.407 2.028 20 30 CEEDHN C#CCCN1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000878876523 651201964 /nfs/dbraw/zinc/20/19/64/651201964.db2.gz YRBMXJLYMUJLOA-LBPRGKRZSA-N 0 3 295.180 2.321 20 30 CEEDHN C=CCN(C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@@H](C)COC ZINC000878889892 651204318 /nfs/dbraw/zinc/20/43/18/651204318.db2.gz MFIHKSNEEVDRGM-AJNGGQMLSA-N 0 3 253.386 2.467 20 30 CEEDHN CC(C)[C@@H](O)CCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879587198 651327974 /nfs/dbraw/zinc/32/79/74/651327974.db2.gz NBSWDHHDMNRRBG-KRWDZBQOSA-N 0 3 287.407 2.087 20 30 CEEDHN CC1(C)C[C@H](O)CN(CCOc2cccc(C#N)c2)C1 ZINC000879617500 651330458 /nfs/dbraw/zinc/33/04/58/651330458.db2.gz KFOPINDEOPICLX-AWEZNQCLSA-N 0 3 274.364 2.030 20 30 CEEDHN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3CCO[C@@H](C)C#N)no1 ZINC000879682007 651338609 /nfs/dbraw/zinc/33/86/09/651338609.db2.gz QTLKGICYRLPTNI-HLVVYCRESA-N 0 3 290.367 2.017 20 30 CEEDHN C#CCOc1ccc(CN(C)C[C@@H]2CCCO2)cc1 ZINC000128067047 651358715 /nfs/dbraw/zinc/35/87/15/651358715.db2.gz XYDKVLZWLLVYSB-INIZCTEOSA-N 0 3 259.349 2.309 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@@H](c2nc(C)cs2)C1 ZINC000880010004 651373874 /nfs/dbraw/zinc/37/38/74/651373874.db2.gz RRDPUACUGCBWLP-NEPJUHHUSA-N 0 3 252.383 2.178 20 30 CEEDHN C#CCOCCN[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880102608 651384784 /nfs/dbraw/zinc/38/47/84/651384784.db2.gz IRDIKZMJBBCITQ-JTQLQIEISA-N 0 3 272.270 2.401 20 30 CEEDHN C#CCC1(O)CCN(CCOc2ccccc2C)CC1 ZINC000880476829 651447500 /nfs/dbraw/zinc/44/75/00/651447500.db2.gz HDNQLEQDIFUFRW-UHFFFAOYSA-N 0 3 273.376 2.224 20 30 CEEDHN C=CCSCCNCc1c2c(nn1C)CCSC2 ZINC000882984218 652304227 /nfs/dbraw/zinc/30/42/27/652304227.db2.gz ZMPGBKYRXLFMSV-UHFFFAOYSA-N 0 3 283.466 2.218 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000883123873 652369743 /nfs/dbraw/zinc/36/97/43/652369743.db2.gz NPTGVBDYPVNMAJ-ZFWWWQNUSA-N 0 3 291.391 2.346 20 30 CEEDHN C#CC[C@@H](CO)NCc1cccc(OC(C)(C)C)c1 ZINC000883125539 652370698 /nfs/dbraw/zinc/37/06/98/652370698.db2.gz LUNJIPDDXQEIDN-AWEZNQCLSA-N 0 3 261.365 2.338 20 30 CEEDHN CON(C)CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000883171090 652387494 /nfs/dbraw/zinc/38/74/94/652387494.db2.gz OICHSYWEVBYPPG-UHFFFAOYSA-N 0 3 287.285 2.160 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cc(F)ccc1OC ZINC000883399972 652456276 /nfs/dbraw/zinc/45/62/76/652456276.db2.gz AGORXSINXLVOSZ-ZDUSSCGKSA-N 0 3 253.317 2.251 20 30 CEEDHN Cc1cccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c1 ZINC000884044294 652654126 /nfs/dbraw/zinc/65/41/26/652654126.db2.gz BFBOVUNXSVADOI-UYJPIKCFSA-N 0 3 269.348 2.073 20 30 CEEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc3[nH]ccc3c1)C2 ZINC000884066191 652691342 /nfs/dbraw/zinc/69/13/42/652691342.db2.gz OENCIMUEXTVNOV-JZLYGMAVSA-N 0 3 294.358 2.246 20 30 CEEDHN C[C@H](N(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N)C(C)(C)C ZINC000884087463 652702576 /nfs/dbraw/zinc/70/25/76/652702576.db2.gz DOZFKFLUAWZZDT-AJAZOQAWSA-N 0 3 277.412 2.019 20 30 CEEDHN CC[C@H](C)C[C@H](C)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884142109 652725976 /nfs/dbraw/zinc/72/59/76/652725976.db2.gz RHMRUTSXGQSJNF-YNBVBNEBSA-N 0 3 277.412 2.067 20 30 CEEDHN C=CCC1(C(=O)NC[C@@H]2CCN2C2CCOCC2)CCC1 ZINC000885883323 653063193 /nfs/dbraw/zinc/06/31/93/653063193.db2.gz QYZQXAZNUZBRMG-HNNXBMFYSA-N 0 3 292.423 2.102 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)CCC(C)(F)F)CC2 ZINC001270851896 805587996 /nfs/dbraw/zinc/58/79/96/805587996.db2.gz STVXQPMCZPHTHR-UHFFFAOYSA-N 0 3 298.377 2.370 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2n[nH]c(C)c2C)[C@H]1CC ZINC001087525111 805670546 /nfs/dbraw/zinc/67/05/46/805670546.db2.gz FKQPXOMGAYCUKE-UONOGXRCSA-N 0 3 290.411 2.185 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccncc2CC)[C@H]1CC ZINC001087632451 805764268 /nfs/dbraw/zinc/76/42/68/805764268.db2.gz CNTBYLRCYWTEQL-JKSUJKDBSA-N 0 3 287.407 2.413 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2conc2CC)[C@H]1CC ZINC001087715311 805778286 /nfs/dbraw/zinc/77/82/86/805778286.db2.gz BICOQYBBFDRAOW-LSDHHAIUSA-N 0 3 291.395 2.396 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccnc(C)c2)[C@H]1CC ZINC001087767716 805791001 /nfs/dbraw/zinc/79/10/01/805791001.db2.gz PQYMFUMYRXNBTN-LSDHHAIUSA-N 0 3 273.380 2.159 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001168029715 805821436 /nfs/dbraw/zinc/82/14/36/805821436.db2.gz IGLAPQOYSVIDLC-QWHCGFSZSA-N 0 3 270.804 2.271 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3[nH]c(C)cc3C)C[C@@H]2C1 ZINC001088014793 805881572 /nfs/dbraw/zinc/88/15/72/805881572.db2.gz KCLZHAGHXGAGNU-CVEARBPZSA-N 0 3 299.418 2.049 20 30 CEEDHN C#CCCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CCF)C2 ZINC001271414444 805933957 /nfs/dbraw/zinc/93/39/57/805933957.db2.gz KIRWDOHJAWEFGD-KKUMJFAQSA-N 0 3 280.387 2.119 20 30 CEEDHN C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC)cn1 ZINC001029558752 805947797 /nfs/dbraw/zinc/94/77/97/805947797.db2.gz TWJFQXFOGAUFNG-CALCHBBNSA-N 0 3 297.402 2.152 20 30 CEEDHN C=CCCC(=O)N1CCC(CCN(C)CCF)CC1 ZINC001271766478 806082124 /nfs/dbraw/zinc/08/21/24/806082124.db2.gz OGJYSWDTNKKSQB-UHFFFAOYSA-N 0 3 270.392 2.483 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)CC2CCC2)[C@H]1C ZINC001088507170 806330796 /nfs/dbraw/zinc/33/07/96/806330796.db2.gz FNRQOPUZLJNWIT-OCCSQVGLSA-N 0 3 250.386 2.332 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H]2CCCCO2)[C@H]1C ZINC001088517245 806341957 /nfs/dbraw/zinc/34/19/57/806341957.db2.gz CJBCAZAYHFWKAZ-KFWWJZLASA-N 0 3 280.412 2.101 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)C1([C@H]2CCCCO2)CCC1 ZINC001272061323 806400862 /nfs/dbraw/zinc/40/08/62/806400862.db2.gz QNWVSCXDVGEZGS-OAHLLOKOSA-N 0 3 294.439 2.302 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(CC(=C)C)[C@@H]1C ZINC001088575872 806466857 /nfs/dbraw/zinc/46/68/57/806466857.db2.gz LLKPSFBCEWLFRX-WCVJEAGWSA-N 0 3 292.423 2.123 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)COc1cc(C)ccc1C ZINC001272173139 806568548 /nfs/dbraw/zinc/56/85/48/806568548.db2.gz VZAIGFWOHRDZGZ-UHFFFAOYSA-N 0 3 290.407 2.258 20 30 CEEDHN CC#CCN1CCC(CNC(=O)[C@]2(C)C=CCC2)CC1 ZINC001224144450 806676215 /nfs/dbraw/zinc/67/62/15/806676215.db2.gz UAZAVDSFMUFGRA-QGZVFWFLSA-N 0 3 274.408 2.194 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)oc(C)c2C)[C@H]1C ZINC001088724775 806687747 /nfs/dbraw/zinc/68/77/47/806687747.db2.gz XJVSLZBDFNFPLG-DOMZBBRYSA-N 0 3 288.391 2.421 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)c(C)n2)[C@H]1C ZINC001088749959 806693727 /nfs/dbraw/zinc/69/37/27/806693727.db2.gz ZJMIZJXEXWUVOL-CABCVRRESA-N 0 3 287.407 2.467 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H]3CC=CCC3)[C@@H]2C1 ZINC001076136469 806813407 /nfs/dbraw/zinc/81/34/07/806813407.db2.gz CLHHGESYEJNPQO-OWCLPIDISA-N 0 3 274.408 2.452 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CCC3(C)C)[C@@H]2C1 ZINC001076153428 806818452 /nfs/dbraw/zinc/81/84/52/806818452.db2.gz BAMANSHLILUTRK-BFHYXJOUSA-N 0 3 262.397 2.141 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H](C)n3cccc3)[C@@H]2C1 ZINC001076476862 806852166 /nfs/dbraw/zinc/85/21/66/806852166.db2.gz FZOACQDMDLLTGU-HRCADAONSA-N 0 3 287.407 2.158 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cccc(N(C)C)c3)[C@@H]2C1 ZINC001076499312 806854345 /nfs/dbraw/zinc/85/43/45/806854345.db2.gz GUWLWYJSRHXATD-DOTOQJQBSA-N 0 3 299.418 2.085 20 30 CEEDHN C#CCCN(C)CCNC(=O)c1sc(C)cc1C ZINC001266278819 802353030 /nfs/dbraw/zinc/35/30/30/802353030.db2.gz SUYQILXAAUKDMB-UHFFFAOYSA-N 0 3 264.394 2.050 20 30 CEEDHN C=CCN(C)CCNC(=O)Cc1csc(C(C)(C)C)n1 ZINC001266340214 802458948 /nfs/dbraw/zinc/45/89/48/802458948.db2.gz OJMOLQINVIQQQV-UHFFFAOYSA-N 0 3 295.452 2.217 20 30 CEEDHN C=C(Cl)CNCC1(CCNC(=O)C2(CF)CC2)CC1 ZINC001167173789 802558841 /nfs/dbraw/zinc/55/88/41/802558841.db2.gz FXKRPEWIUNBQGB-UHFFFAOYSA-N 0 3 288.794 2.365 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)OCCCC ZINC001266449558 802597711 /nfs/dbraw/zinc/59/77/11/802597711.db2.gz AASFGFKGBWNRNL-LSDHHAIUSA-N 0 3 282.428 2.348 20 30 CEEDHN C#CCOc1ccccc1CNCCOC1CCC1 ZINC000690702963 802679167 /nfs/dbraw/zinc/67/91/67/802679167.db2.gz VITXLZCZRNWKEW-UHFFFAOYSA-N 0 3 259.349 2.357 20 30 CEEDHN CC#CCN[C@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001266562335 802720289 /nfs/dbraw/zinc/72/02/89/802720289.db2.gz WVVLDPBBVPVEME-KKUMJFAQSA-N 0 3 262.397 2.027 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)C1(C)CCC1 ZINC001266568155 802724455 /nfs/dbraw/zinc/72/44/55/802724455.db2.gz GJCZXUQMKPUZCO-UHFFFAOYSA-N 0 3 250.386 2.028 20 30 CEEDHN C=CCN(CCNC(=O)C1(F)CCCCC1)C1CC1 ZINC001266615640 802780158 /nfs/dbraw/zinc/78/01/58/802780158.db2.gz OVMKSCGBOILDAX-UHFFFAOYSA-N 0 3 268.376 2.425 20 30 CEEDHN C=C(C)CN(CCNC(=O)c1c[nH]c2ncccc12)C1CC1 ZINC001266619549 802787175 /nfs/dbraw/zinc/78/71/75/802787175.db2.gz RTDDNXHBSCNCEC-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)C2(CCC)CC2)C1 ZINC001266760842 802885816 /nfs/dbraw/zinc/88/58/16/802885816.db2.gz NPECBYUFMWZHPP-CQSZACIVSA-N 0 3 262.397 2.028 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCOCC)C2 ZINC001108974423 811804778 /nfs/dbraw/zinc/80/47/78/811804778.db2.gz 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/nfs/dbraw/zinc/90/15/67/812901567.db2.gz IAPQTAJHBKSMPW-UHFFFAOYSA-N 0 3 297.402 2.344 20 30 CEEDHN C=CCCC(=O)N1CC[C@@H](CNCc2nccs2)C1 ZINC001267033783 803069737 /nfs/dbraw/zinc/06/97/37/803069737.db2.gz ZKWFRPWIQZPJLA-LBPRGKRZSA-N 0 3 279.409 2.047 20 30 CEEDHN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1cnc(C)o1 ZINC001133884329 813168747 /nfs/dbraw/zinc/16/87/47/813168747.db2.gz NUVSIURQIUFLKD-RYUDHWBXSA-N 0 3 279.384 2.322 20 30 CEEDHN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1cc(OC)no1 ZINC001133884532 813169362 /nfs/dbraw/zinc/16/93/62/813169362.db2.gz QRNVOQBTZYEAAI-NWDGAFQWSA-N 0 3 295.383 2.022 20 30 CEEDHN C[C@H](C(=O)NCCNCc1cccc(C#N)c1)C(C)(F)F ZINC001133968284 813185143 /nfs/dbraw/zinc/18/51/43/813185143.db2.gz UNKGFJSYJOFMGS-LLVKDONJSA-N 0 3 295.333 2.055 20 30 CEEDHN COCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000127784017 803156388 /nfs/dbraw/zinc/15/63/88/803156388.db2.gz JBTHEKLIVUQKJR-CYBMUJFWSA-N 0 3 274.320 2.069 20 30 CEEDHN Cc1cccc(C)c1CN(C)CCNC(=O)C#CC1CC1 ZINC001267194781 803218826 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C=C(Cl)CNCCCNC(=O)[C@H]1CCO[C@H](CC)C1 ZINC001170421841 812424299 /nfs/dbraw/zinc/42/42/99/812424299.db2.gz RIOPBEJFVKEODC-QWHCGFSZSA-N 0 3 288.819 2.040 20 30 CEEDHN C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC)CC1 ZINC001097790058 812436204 /nfs/dbraw/zinc/43/62/04/812436204.db2.gz ZYARFYIESKWPAS-KFWWJZLASA-N 0 3 262.397 2.474 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001052692523 812448130 /nfs/dbraw/zinc/44/81/30/812448130.db2.gz FSSNLJDQAFNSOW-OWCLPIDISA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2ncoc2C(C)C)CC1 ZINC001052843618 812467440 /nfs/dbraw/zinc/46/74/40/812467440.db2.gz DZKURVZPRFNPRB-CYBMUJFWSA-N 0 3 289.379 2.016 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001052879259 812470505 /nfs/dbraw/zinc/47/05/05/812470505.db2.gz SXAFCRWVYFTJFJ-BZUAXINKSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)Cc2ccccc2C)CC1 ZINC001052926057 812475721 /nfs/dbraw/zinc/47/57/21/812475721.db2.gz XYKNDDDDVOLJQI-QGZVFWFLSA-N 0 3 284.403 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C#C[C@@H]1CCCN(Cc2cnc3cc(C)ccn23)C1 ZINC001136890918 813785239 /nfs/dbraw/zinc/78/52/39/813785239.db2.gz DNHCABAMIBIGRX-CQSZACIVSA-N 0 3 253.349 2.488 20 30 CEEDHN C=CCN1CCC[C@H](N[C@@H](C)CC(F)(F)F)C1=O ZINC001255641313 813829727 /nfs/dbraw/zinc/82/97/27/813829727.db2.gz YTECJLLVALFVSJ-UWVGGRQHSA-N 0 3 264.291 2.094 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2c(C)ccn2C)C1 ZINC001098808835 813951535 /nfs/dbraw/zinc/95/15/35/813951535.db2.gz VTTXWUCWPWNCLH-YOEHRIQHSA-N 0 3 287.407 2.104 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CCOC1 ZINC001098982579 813971057 /nfs/dbraw/zinc/97/10/57/813971057.db2.gz MAIIJNQXMXRJFJ-CABCVRRESA-N 0 3 294.439 2.206 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CC3(CC3)C2)C1 ZINC001099019875 813976994 /nfs/dbraw/zinc/97/69/94/813976994.db2.gz MCRUOIAKVWSKBQ-YJBOKZPZSA-N 0 3 286.419 2.171 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)CN1CCO ZINC001099188631 813994002 /nfs/dbraw/zinc/99/40/02/813994002.db2.gz HZJZOBVPSXIBNG-GJZGRUSLSA-N 0 3 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/nfs/dbraw/zinc/20/46/01/814204601.db2.gz GMCZHXYAFUYFAZ-MQVJKMGUSA-N 0 3 283.375 2.325 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1C[C@H]2CN(CC#CC)C[C@@]2(C)C1 ZINC001101337525 814249627 /nfs/dbraw/zinc/24/96/27/814249627.db2.gz CEGNGSGPSXGJFR-JZXOWHBKSA-N 0 3 288.435 2.392 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C3(CC=C)CCC3)C[C@]2(C)C1 ZINC001101354271 814252007 /nfs/dbraw/zinc/25/20/07/814252007.db2.gz YMHZXCSVIVXCHO-WBVHZDCISA-N 0 3 286.419 2.146 20 30 CEEDHN C=CCN1CCC[C@H]1CNc1cnc2cccnc2n1 ZINC001160952960 814285081 /nfs/dbraw/zinc/28/50/81/814285081.db2.gz KOKJBBUWBUSMCJ-LBPRGKRZSA-N 0 3 269.352 2.087 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)CCC(C)C)C1 ZINC001149124776 814454449 /nfs/dbraw/zinc/45/44/49/814454449.db2.gz NTKWDHQAMWTAJS-OAHLLOKOSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NCCNCc1ccc(F)cc1 ZINC001124484776 815617816 /nfs/dbraw/zinc/61/78/16/815617816.db2.gz YRAKDGCHXSFMJJ-CYBMUJFWSA-N 0 3 294.370 2.013 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C(C)(C)CC=C)C2)C1 ZINC001148357327 814556223 /nfs/dbraw/zinc/55/62/23/814556223.db2.gz JENZCOMMZKHQEB-UHFFFAOYSA-N 0 3 262.397 2.309 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC(C)(C)C=C)C1 ZINC001111761824 814605840 /nfs/dbraw/zinc/60/58/40/814605840.db2.gz NHBHBFYYGMRGFU-YOEHRIQHSA-N 0 3 274.408 2.193 20 30 CEEDHN CC#CCNCCNC(=O)c1ccccc1C(F)(F)F ZINC001148771016 814615035 /nfs/dbraw/zinc/61/50/35/814615035.db2.gz UZXQVDHDEPBKNY-UHFFFAOYSA-N 0 3 284.281 2.048 20 30 CEEDHN N#CCC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000782088360 814616348 /nfs/dbraw/zinc/61/63/48/814616348.db2.gz IYJIOXAUTVPTJP-HNNXBMFYSA-N 0 3 289.335 2.254 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C(C)(C)F)C2)CC1 ZINC001086897463 814641804 /nfs/dbraw/zinc/64/18/04/814641804.db2.gz LCFWFSBJPZTSSN-CYBMUJFWSA-N 0 3 280.387 2.071 20 30 CEEDHN CC(C)(CNC(=O)[C@@H](N)CCCCC#N)C(C)(F)F ZINC000697054144 814644998 /nfs/dbraw/zinc/64/49/98/814644998.db2.gz AXHHXIFNPSDWSW-JTQLQIEISA-N 0 3 275.343 2.195 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C3=CCCC3)C2)CC1 ZINC001086916611 814650022 /nfs/dbraw/zinc/65/00/22/814650022.db2.gz OREFODZJCPAEJK-HNNXBMFYSA-N 0 3 286.419 2.433 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](F)CC)C2)CC1 ZINC001086937353 814652588 /nfs/dbraw/zinc/65/25/88/814652588.db2.gz NTTSHGDWIICNTG-KBPBESRZSA-N 0 3 280.387 2.071 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](C)(CC)CCC ZINC001115020310 814673737 /nfs/dbraw/zinc/67/37/37/814673737.db2.gz HLUNVTXFQZIEMW-ORIJERBGSA-N 0 3 264.413 2.435 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)c1ccco1 ZINC001115129895 814682974 /nfs/dbraw/zinc/68/29/74/814682974.db2.gz HBRQGWVYMFBYTJ-BCUIYNNISA-N 0 3 274.364 2.006 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CN(CC#CC)C[C@@]2(C)C1 ZINC001091980442 814686034 /nfs/dbraw/zinc/68/60/34/814686034.db2.gz DFKOJFAKNMWQBA-NXHRZFHOSA-N 0 3 288.435 2.392 20 30 CEEDHN C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001092468111 814710576 /nfs/dbraw/zinc/71/05/76/814710576.db2.gz MIZJRTOMZMFXLM-ZIAGYGMSSA-N 0 3 288.391 2.266 20 30 CEEDHN C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001092468111 814710583 /nfs/dbraw/zinc/71/05/83/814710583.db2.gz MIZJRTOMZMFXLM-ZIAGYGMSSA-N 0 3 288.391 2.266 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2csc(C)c2C)[C@H](C)C1 ZINC001092637020 814723305 /nfs/dbraw/zinc/72/33/05/814723305.db2.gz KNSPIUBAZPELMO-BXUZGUMPSA-N 0 3 290.432 2.296 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc(C(C)C)nc2)[C@H](C)C1 ZINC001092677768 814726022 /nfs/dbraw/zinc/72/60/22/814726022.db2.gz OMFYOKMVBVNWNT-GDBMZVCRSA-N 0 3 299.418 2.136 20 30 CEEDHN C=CC(C)(C)CNCc1cn(C)nc1Br ZINC000712396454 814741963 /nfs/dbraw/zinc/74/19/63/814741963.db2.gz HPNAWURDHKJPSE-UHFFFAOYSA-N 0 3 272.190 2.484 20 30 CEEDHN CC#CCN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001116344325 814847093 /nfs/dbraw/zinc/84/70/93/814847093.db2.gz RIJJOLZLMAGMJW-UHFFFAOYSA-N 0 3 296.370 2.018 20 30 CEEDHN CC[C@H]1CC[C@H](N2CCN(c3nccnc3C#N)CC2)C1 ZINC001173286112 815670002 /nfs/dbraw/zinc/67/00/02/815670002.db2.gz DNGWMPJQTVWWIZ-KBPBESRZSA-N 0 3 285.395 2.049 20 30 CEEDHN C=CCOC1CCC(N2CCN(C(C)=O)[C@@H](C)C2)CC1 ZINC001173323520 815674661 /nfs/dbraw/zinc/67/46/61/815674661.db2.gz ZZSQFAYVTROGMZ-JEYLPNPQSA-N 0 3 280.412 2.053 20 30 CEEDHN C=CCOC1CCC(N2CCN(CCF)CC2)CC1 ZINC001173327956 815677089 /nfs/dbraw/zinc/67/70/89/815677089.db2.gz WIZHUSUPONAOCW-UHFFFAOYSA-N 0 3 270.392 2.087 20 30 CEEDHN CCOC(=O)C[C@H]1CC[C@H](N(CC)CCC#N)C1 ZINC001173653638 815793430 /nfs/dbraw/zinc/79/34/30/815793430.db2.gz OZMDRTIBCHCAKQ-STQMWFEESA-N 0 3 252.358 2.344 20 30 CEEDHN CCCCN(CCC#N)[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173761966 815814457 /nfs/dbraw/zinc/81/44/57/815814457.db2.gz XNHXVIKCENDNKH-KBPBESRZSA-N 0 3 276.388 2.173 20 30 CEEDHN C#CCOc1ccc(CN2CCN(C)C(C)(C)C2)cc1 ZINC001138557607 815828425 /nfs/dbraw/zinc/82/84/25/815828425.db2.gz NJEPZDWYCVCOMU-UHFFFAOYSA-N 0 3 272.392 2.225 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@]3(CCC(=O)O3)C2)cc1 ZINC001138560261 815830483 /nfs/dbraw/zinc/83/04/83/815830483.db2.gz OVDSLRZPRTVDEN-SFHVURJKSA-N 0 3 299.370 2.370 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CCCN(C)CC2)c1[O-] ZINC001138624530 815846918 /nfs/dbraw/zinc/84/69/18/815846918.db2.gz NPHYCBIAQOWAND-UHFFFAOYSA-N 0 3 260.381 2.258 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CCCN(C)CC2)c1[O-] ZINC001138624530 815846926 /nfs/dbraw/zinc/84/69/26/815846926.db2.gz NPHYCBIAQOWAND-UHFFFAOYSA-N 0 3 260.381 2.258 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c1[O-] ZINC001138625649 815846966 /nfs/dbraw/zinc/84/69/66/815846966.db2.gz RNYRMXZINBXSEK-UONOGXRCSA-N 0 3 265.328 2.025 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@H](F)[C@H](O)C2)c1[O-] ZINC001138625649 815846974 /nfs/dbraw/zinc/84/69/74/815846974.db2.gz RNYRMXZINBXSEK-UONOGXRCSA-N 0 3 265.328 2.025 20 30 CEEDHN CCn1nc(C)c(CN2CCC(S)CC2)c1C ZINC001138646981 815857707 /nfs/dbraw/zinc/85/77/07/815857707.db2.gz KDLCQRWFWVUOBB-UHFFFAOYSA-N 0 3 253.415 2.414 20 30 CEEDHN N#CC[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1 ZINC001138797829 815903481 /nfs/dbraw/zinc/90/34/81/815903481.db2.gz GZUFUJNVOQSGOZ-AWEZNQCLSA-N 0 3 274.364 2.183 20 30 CEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C#CC(C)C)C12CCC2 ZINC001202867557 815906472 /nfs/dbraw/zinc/90/64/72/815906472.db2.gz RTJQFQCLPAZVNZ-KGLIPLIRSA-N 0 3 294.826 2.415 20 30 CEEDHN CC(=O)Nc1ccc(Nc2ccncc2C)cc1C#N ZINC001174540179 816028431 /nfs/dbraw/zinc/02/84/31/816028431.db2.gz WPCSTYHTKSVAHO-UHFFFAOYSA-N 0 3 266.304 2.386 20 30 CEEDHN COc1ccc2[nH]nc(CN3CCC(S)CC3)c2c1 ZINC001140069520 816186255 /nfs/dbraw/zinc/18/62/55/816186255.db2.gz XUSPBBVHSQCNNV-UHFFFAOYSA-N 0 3 277.393 2.466 20 30 CEEDHN N#Cc1ccc(CN2CCC3(CCCO3)CC2)cn1 ZINC001140544486 816283262 /nfs/dbraw/zinc/28/32/62/816283262.db2.gz RAADAQHWGOZLFD-UHFFFAOYSA-N 0 3 257.337 2.098 20 30 CEEDHN C#C[C@H]1CCC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141029444 816450508 /nfs/dbraw/zinc/45/05/08/816450508.db2.gz RTOOMFJLJOTQRF-LBPRGKRZSA-N 0 3 275.348 2.255 20 30 CEEDHN C#C[C@H]1CCC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141029444 816450511 /nfs/dbraw/zinc/45/05/11/816450511.db2.gz RTOOMFJLJOTQRF-LBPRGKRZSA-N 0 3 275.348 2.255 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@H](F)Cc1ccccc1 ZINC001176799038 816483840 /nfs/dbraw/zinc/48/38/40/816483840.db2.gz AKCBZIJEDFHWGC-CQSZACIVSA-N 0 3 298.789 2.416 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)Cc1ccc(C)s1 ZINC001176920646 816492213 /nfs/dbraw/zinc/49/22/13/816492213.db2.gz KOOLCTKALXDNOS-UHFFFAOYSA-N 0 3 286.828 2.447 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCCC[C@H]1OC ZINC001177255509 816538580 /nfs/dbraw/zinc/53/85/80/816538580.db2.gz NEAHCHKYHVEWLA-CHWSQXEVSA-N 0 3 288.819 2.040 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCCC[C@H]1OC ZINC001177255511 816538910 /nfs/dbraw/zinc/53/89/10/816538910.db2.gz NEAHCHKYHVEWLA-QWHCGFSZSA-N 0 3 288.819 2.040 20 30 CEEDHN C#C[C@H](C)NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000123483676 816621510 /nfs/dbraw/zinc/62/15/10/816621510.db2.gz OPZDFWODCXQXCU-CABZTGNLSA-N 0 3 257.255 2.350 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)/C=C/c1ccoc1 ZINC001142265718 816651826 /nfs/dbraw/zinc/65/18/26/816651826.db2.gz FJFWSVBZKSMPBJ-GJBLVYBDSA-N 0 3 260.337 2.059 20 30 CEEDHN CCN1CCN(Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142912120 816754426 /nfs/dbraw/zinc/75/44/26/816754426.db2.gz VKMJFNKCIJIPAB-UHFFFAOYSA-N 0 3 268.364 2.177 20 30 CEEDHN COC[C@H]1CCN1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142930039 816758615 /nfs/dbraw/zinc/75/86/15/816758615.db2.gz HJLKPOAATSWUAQ-CYBMUJFWSA-N 0 3 255.321 2.260 20 30 CEEDHN CCOC(=O)C1(C)CC(NCC(C)(C)CC#N)C1 ZINC000601279868 346811195 /nfs/dbraw/zinc/81/11/95/346811195.db2.gz BUWDFIIQWWGTOL-UHFFFAOYSA-N 0 3 252.358 2.248 20 30 CEEDHN C[C@@H](NCC[C@H](O)C(F)F)c1ccc(C#N)cc1F ZINC000601299579 346815069 /nfs/dbraw/zinc/81/50/69/346815069.db2.gz RTYHRNSPUCLBHE-PELKAZGASA-N 0 3 272.270 2.364 20 30 CEEDHN CCCC(=O)N[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000407990716 260153808 /nfs/dbraw/zinc/15/38/08/260153808.db2.gz QKVFRQXUNHFORY-MJBXVCDLSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCc1ccc(OC[C@@H](O)CN(C)CC=C)c(OC)c1 ZINC000121401463 365564326 /nfs/dbraw/zinc/56/43/26/365564326.db2.gz RRBVHEWZUIXRQJ-HNNXBMFYSA-N 0 3 291.391 2.281 20 30 CEEDHN C=CCOc1ccccc1CNCCNC(=O)C(C)C ZINC000034992626 361802445 /nfs/dbraw/zinc/80/24/45/361802445.db2.gz GPWIWEZZGFLWDV-UHFFFAOYSA-N 0 3 276.380 2.113 20 30 CEEDHN C=CCN1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000122190793 365626960 /nfs/dbraw/zinc/62/69/60/365626960.db2.gz KBTDTDSQEOUHCH-ZDUSSCGKSA-N 0 3 259.353 2.227 20 30 CEEDHN C=C(C)COCCNCc1cncc(OCC)c1 ZINC000621340557 349566796 /nfs/dbraw/zinc/56/67/96/349566796.db2.gz JKDKGUUXTMQGMG-UHFFFAOYSA-N 0 3 250.342 2.163 20 30 CEEDHN CC(C)N1CCC[C@H](NC(=O)C2(C#N)CC3(CC3)C2)C1 ZINC000601453688 346839173 /nfs/dbraw/zinc/83/91/73/346839173.db2.gz PFDVYFICSXMHJO-ZDUSSCGKSA-N 0 3 275.396 2.059 20 30 CEEDHN CN(C(=O)Nc1cccc(CN)c1)[C@H]1CCC[C@@H]1C#N ZINC000601564153 346851030 /nfs/dbraw/zinc/85/10/30/346851030.db2.gz CLGUPWDSBGTVSH-OCCSQVGLSA-N 0 3 272.352 2.301 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccccc2CC#N)C1 ZINC000601623882 346863940 /nfs/dbraw/zinc/86/39/40/346863940.db2.gz 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/nfs/dbraw/zinc/27/02/91/539270291.db2.gz IFNMGXDQJFULPO-UHFFFAOYSA-N 0 3 292.467 2.469 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCC(CN3CCCCC3=O)CC2)C1 ZINC000336602013 365704571 /nfs/dbraw/zinc/70/45/71/365704571.db2.gz UPKVGHNGYPLIQJ-HZPDHXFCSA-N 0 3 289.423 2.403 20 30 CEEDHN COCc1csc(CNC[C@H](O)CC2(C#N)CC2)c1 ZINC000601959160 346943032 /nfs/dbraw/zinc/94/30/32/346943032.db2.gz MGOAIHMWYFOYQA-GFCCVEGCSA-N 0 3 280.393 2.039 20 30 CEEDHN CCC[C@@H](C)CN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000245645067 136387306 /nfs/dbraw/zinc/38/73/06/136387306.db2.gz FLZJZKBOVSPINN-ZIAGYGMSSA-N 0 3 287.411 2.295 20 30 CEEDHN C[C@@H]1C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047010856 343509498 /nfs/dbraw/zinc/50/94/98/343509498.db2.gz OQCRMAFSAJJQKH-CZUORRHYSA-N 0 3 285.391 2.104 20 30 CEEDHN CCC[C@@H](C)N(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000048070801 343525436 /nfs/dbraw/zinc/52/54/36/343525436.db2.gz PLALLZIUNNQPEM-OCCSQVGLSA-N 0 3 253.390 2.161 20 30 CEEDHN CCCCN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000046602980 343501810 /nfs/dbraw/zinc/50/18/10/343501810.db2.gz BYEPSNZPPWKCPU-HNNXBMFYSA-N 0 3 263.385 2.059 20 30 CEEDHN CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1CC1 ZINC000052890865 343567716 /nfs/dbraw/zinc/56/77/16/343567716.db2.gz BJAYVYARBROOJS-HNNXBMFYSA-N 0 3 265.401 2.163 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](C)CC1 ZINC000063302323 343676812 /nfs/dbraw/zinc/67/68/12/343676812.db2.gz IDAYPKDFDMDNLZ-KGLIPLIRSA-N 0 3 265.401 2.117 20 30 CEEDHN C=CCN(CC=C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000060943176 343664183 /nfs/dbraw/zinc/66/41/83/343664183.db2.gz PJBINTWDLWJZHS-INIZCTEOSA-N 0 3 286.375 2.166 20 30 CEEDHN C#Cc1cccc(NC(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000066158820 343708694 /nfs/dbraw/zinc/70/86/94/343708694.db2.gz QCYUSLLJDXKWSK-INIZCTEOSA-N 0 3 283.375 2.370 20 30 CEEDHN N#CCCCN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000065964807 343705276 /nfs/dbraw/zinc/70/52/76/343705276.db2.gz ASHICTACTPNTOU-UHFFFAOYSA-N 0 3 277.412 2.451 20 30 CEEDHN N#Cc1c(F)cccc1CN[C@@H]1CCN(C2CC2)C1 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CCC1(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CCC1 ZINC000083989342 344080637 /nfs/dbraw/zinc/08/06/37/344080637.db2.gz PQTNNWFKVVKGOI-CQSZACIVSA-N 0 3 271.364 2.255 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000127190100 187288235 /nfs/dbraw/zinc/28/82/35/187288235.db2.gz KHVUOYMMGRBHGH-DOTOQJQBSA-N 0 3 296.374 2.194 20 30 CEEDHN CN(Cc1cc(C#N)cs1)[C@H](CO)C(C)(C)C ZINC000093837480 344230374 /nfs/dbraw/zinc/23/03/74/344230374.db2.gz YQMMEAJZVSTCRE-GFCCVEGCSA-N 0 3 252.383 2.459 20 30 CEEDHN CCOC(=O)C1(C)CCN(CCCCC#N)CC1 ZINC000092823319 344204655 /nfs/dbraw/zinc/20/46/55/344204655.db2.gz AOEIWVBJMYNMRK-UHFFFAOYSA-N 0 3 252.358 2.345 20 30 CEEDHN C=CCOc1ccc(C(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000108342679 344265313 /nfs/dbraw/zinc/26/53/13/344265313.db2.gz LIZACBGIBWDNKU-CQSZACIVSA-N 0 3 288.391 2.323 20 30 CEEDHN N#C[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000108836725 344266298 /nfs/dbraw/zinc/26/62/98/344266298.db2.gz IIAIGTVKMWPEMJ-IRXDYDNUSA-N 0 3 297.402 2.317 20 30 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CN(Cc1ccccc1C(C)(C)C#N)C1CC(O)C1 ZINC000353484115 530001174 /nfs/dbraw/zinc/00/11/74/530001174.db2.gz PYVFCFVLCGQLJU-UHFFFAOYSA-N 0 3 258.365 2.443 20 30 CEEDHN CN(C)[C@H](CNCc1cccc(C#N)n1)Cc1ccccc1 ZINC000602502187 347059427 /nfs/dbraw/zinc/05/94/27/347059427.db2.gz FKSSFNUCBDEDKL-SFHVURJKSA-N 0 3 294.402 2.216 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@H](CO)C[C@H](O)c2ccccc2)C1 ZINC000278791577 344672493 /nfs/dbraw/zinc/67/24/93/344672493.db2.gz QJOMOKWPXLRXCQ-IWCQGFGOSA-N 0 3 288.391 2.143 20 30 CEEDHN Cc1ccccc1OC[C@H](O)CNCc1ccc(C#N)cc1 ZINC000314531892 344745997 /nfs/dbraw/zinc/74/59/97/344745997.db2.gz BPHLPWNVXGBKDE-QGZVFWFLSA-N 0 3 296.370 2.396 20 30 CEEDHN C[C@H](C[C@H]1CCCC(=O)N1)NCc1ccc(C#N)cc1F ZINC000602537341 347069676 /nfs/dbraw/zinc/06/96/76/347069676.db2.gz DKYWQABVHCFIBH-BXUZGUMPSA-N 0 3 289.354 2.234 20 30 CEEDHN C[C@H]1CN(C)c2ccccc2CN1CCOCCC#N ZINC000292819664 344689583 /nfs/dbraw/zinc/68/95/83/344689583.db2.gz NXDKKCAZROMXED-AWEZNQCLSA-N 0 3 273.380 2.257 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C/SCc1ccco1 ZINC000293995860 344693330 /nfs/dbraw/zinc/69/33/30/344693330.db2.gz OIOXGDCHQDWLBD-KPKJPENVSA-N 0 3 292.404 2.098 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000294287870 344693960 /nfs/dbraw/zinc/69/39/60/344693960.db2.gz MRAFMDSGLXDTJA-KBPBESRZSA-N 0 3 263.337 2.061 20 30 CEEDHN CC#CCN1CCC(Cc2ccccc2CO)CC1 ZINC000347658575 344775901 /nfs/dbraw/zinc/77/59/01/344775901.db2.gz WEZXMZXCPWYUBU-UHFFFAOYSA-N 0 3 257.377 2.457 20 30 CEEDHN C=CCCC1(C(=O)NCCN2CCCCC2)CC1 ZINC000354591792 344805166 /nfs/dbraw/zinc/80/51/66/344805166.db2.gz CQNODHVWAWBZHT-UHFFFAOYSA-N 0 3 250.386 2.335 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCC[C@@H]3OCC[C@@H]32)n1 ZINC000602565270 347079956 /nfs/dbraw/zinc/07/99/56/347079956.db2.gz DVPJGHPZYOGNSF-KFWWJZLASA-N 0 3 257.337 2.000 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000424062343 344896836 /nfs/dbraw/zinc/89/68/36/344896836.db2.gz GXHYFHFEEXXIFX-GJZGRUSLSA-N 0 3 271.364 2.275 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)CCCCCC#N ZINC000588654186 345049930 /nfs/dbraw/zinc/04/99/30/345049930.db2.gz HLYJMIHFTLXYEY-UHFFFAOYSA-N 0 3 253.390 2.259 20 30 CEEDHN C=CCOCCN[C@H](C)c1cc(C(=O)OC)cs1 ZINC000586793013 345023022 /nfs/dbraw/zinc/02/30/22/345023022.db2.gz POQILTCTUAOCST-SNVBAGLBSA-N 0 3 269.366 2.388 20 30 CEEDHN C[C@@H](NCCOc1ccccc1C#N)c1cnn(C)c1 ZINC000273240986 192084908 /nfs/dbraw/zinc/08/49/08/192084908.db2.gz AEEVOPSZCYNLAC-GFCCVEGCSA-N 0 3 270.336 2.021 20 30 CEEDHN N#Cc1cccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)n1 ZINC000589383149 345079328 /nfs/dbraw/zinc/07/93/28/345079328.db2.gz DQJILCVZXPSJIS-OAHLLOKOSA-N 0 3 298.390 2.044 20 30 CEEDHN N#CCCOCCN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000590173218 345119273 /nfs/dbraw/zinc/11/92/73/345119273.db2.gz QDNJDNNEKVZZBO-OAHLLOKOSA-N 0 3 278.327 2.209 20 30 CEEDHN C[C@H](CCC#N)CN[C@@]1(CO)CCOc2ccccc21 ZINC000589820934 345100071 /nfs/dbraw/zinc/10/00/71/345100071.db2.gz HRQJZEWUCXARSK-CZUORRHYSA-N 0 3 274.364 2.186 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000590858566 345190965 /nfs/dbraw/zinc/19/09/65/345190965.db2.gz KFRNKIINIYJACN-OAHLLOKOSA-N 0 3 298.390 2.473 20 30 CEEDHN COCC#CCN1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000591055931 345215216 /nfs/dbraw/zinc/21/52/16/345215216.db2.gz ICAUSWLSCSVPKB-OAHLLOKOSA-N 0 3 295.423 2.470 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccn(C)c(=O)c1 ZINC000591853656 345288265 /nfs/dbraw/zinc/28/82/65/345288265.db2.gz TVFLGUWJANMHJD-CYBMUJFWSA-N 0 3 281.359 2.450 20 30 CEEDHN N#Cc1cnccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000592112687 345323803 /nfs/dbraw/zinc/32/38/03/345323803.db2.gz NAPKJMSYSSUDPH-XHSDSOJGSA-N 0 3 283.375 2.391 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCCOC(C)(C)C)CC1 ZINC000592297140 345342479 /nfs/dbraw/zinc/34/24/79/345342479.db2.gz YYSSLAHKNFXULB-UHFFFAOYSA-N 0 3 297.443 2.141 20 30 CEEDHN N#CC[C@@]1(O)CCN(Cc2cccc3[nH]ccc32)C1 ZINC000592522769 345365355 /nfs/dbraw/zinc/36/53/55/345365355.db2.gz RPXVCJBGQCBRAW-OAHLLOKOSA-N 0 3 255.321 2.018 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CCC(C#N)C(=O)N=c1ccn([C@H](C)c2ccccc2)[nH]1 ZINC000593522064 345502837 /nfs/dbraw/zinc/50/28/37/345502837.db2.gz FAASZGYVDWGGEJ-CHWSQXEVSA-N 0 3 282.347 2.403 20 30 CEEDHN C[C@]1(NC(=O)CC2(C#N)CC2)CCN(Cc2ccccc2)C1 ZINC000593338107 345468455 /nfs/dbraw/zinc/46/84/55/345468455.db2.gz VQFMUXNKRAILOQ-KRWDZBQOSA-N 0 3 297.402 2.461 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000593398794 345476416 /nfs/dbraw/zinc/47/64/16/345476416.db2.gz FUKTYCBDIUDOGX-ZBFHGGJFSA-N 0 3 285.391 2.489 20 30 CEEDHN CC[C@@H](C#N)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000593398792 345476521 /nfs/dbraw/zinc/47/65/21/345476521.db2.gz FUKTYCBDIUDOGX-GOEBONIOSA-N 0 3 285.391 2.489 20 30 CEEDHN CCC(C#N)C(=O)N=c1cc(CC2CCCCC2)[nH][nH]1 ZINC000593415401 345480097 /nfs/dbraw/zinc/48/00/97/345480097.db2.gz XSHUFFRYKCVCJQ-LBPRGKRZSA-N 0 3 274.368 2.443 20 30 CEEDHN CC[C@@H](C#N)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000593729812 345528537 /nfs/dbraw/zinc/52/85/37/345528537.db2.gz BBKJLUKLDAELPF-KBPBESRZSA-N 0 3 265.401 2.163 20 30 CEEDHN CCOC(=O)CCN(Cc1ccc(C#N)cn1)C(C)C ZINC000594053648 345574473 /nfs/dbraw/zinc/57/44/73/345574473.db2.gz MULIYDKRGBQHRI-UHFFFAOYSA-N 0 3 275.352 2.117 20 30 CEEDHN CCCN(C(=O)C(C#N)CC)[C@@H](CC)C(=O)OCC ZINC000593650899 345516386 /nfs/dbraw/zinc/51/63/86/345516386.db2.gz IAMSLGMMMFHBRM-NEPJUHHUSA-N 0 3 268.357 2.116 20 30 CEEDHN C[C@@H](CNc1ccccc1)NC(=O)[C@H](N)CCCCC#N ZINC000594467826 345636583 /nfs/dbraw/zinc/63/65/83/345636583.db2.gz HLNNDQYFFGLNHF-DZGCQCFKSA-N 0 3 288.395 2.014 20 30 CEEDHN N#Cc1ccc(CC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000594194945 345596271 /nfs/dbraw/zinc/59/62/71/345596271.db2.gz BHRNPLDXRSYSLS-SJORKVTESA-N 0 3 297.402 2.234 20 30 CEEDHN N#Cc1cscc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594199451 345597387 /nfs/dbraw/zinc/59/73/87/345597387.db2.gz ZVDVWEFFKOTKMA-UONOGXRCSA-N 0 3 289.404 2.366 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)N2Cc3ccc(C#N)cc3C2)CCN1C ZINC000594233595 345601528 /nfs/dbraw/zinc/60/15/28/345601528.db2.gz VNVCBVLPPPQKIR-LRDDRELGSA-N 0 3 298.390 2.066 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1CN(C)C ZINC000594283262 345608215 /nfs/dbraw/zinc/60/82/15/345608215.db2.gz VOLHIWJVSSKCHT-WMLDXEAASA-N 0 3 299.418 2.289 20 30 CEEDHN C[C@@H](NC(=O)CN1CC[C@H](C)C1)c1cccc(C#N)c1 ZINC000594303849 345610357 /nfs/dbraw/zinc/61/03/57/345610357.db2.gz JYDQJDPXABGDAP-QWHCGFSZSA-N 0 3 271.364 2.077 20 30 CEEDHN C[C@H]1CCN(CC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000594356257 345616180 /nfs/dbraw/zinc/61/61/80/345616180.db2.gz TXIGYADANVVRAY-NSHDSACASA-N 0 3 291.782 2.170 20 30 CEEDHN CC(C)(C#N)c1ccc(CNCCNc2cnccn2)cc1 ZINC000594497878 345638442 /nfs/dbraw/zinc/63/84/42/345638442.db2.gz KLFGRQVDGFMKGD-UHFFFAOYSA-N 0 3 295.390 2.479 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCCC1CCCC1 ZINC000594426209 345625723 /nfs/dbraw/zinc/62/57/23/345625723.db2.gz DHXHPIPEKITXNF-AWEZNQCLSA-N 0 3 265.401 2.484 20 30 CEEDHN COc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1F ZINC000594427036 345626704 /nfs/dbraw/zinc/62/67/04/345626704.db2.gz GBYPHEGMSKBVOC-GFCCVEGCSA-N 0 3 279.315 2.184 20 30 CEEDHN Cc1ccc(CCNC(=O)[C@H](N)CCCCC#N)c(C)c1 ZINC000594428427 345627059 /nfs/dbraw/zinc/62/70/59/345627059.db2.gz LKAIPGFSIVVOBZ-MRXNPFEDSA-N 0 3 287.407 2.373 20 30 CEEDHN CN(Cc1ccc(F)c(F)c1)C(=O)[C@H](N)CCCCC#N ZINC000594429035 345628096 /nfs/dbraw/zinc/62/80/96/345628096.db2.gz PUYKSOMGINOLGK-CQSZACIVSA-N 0 3 295.333 2.334 20 30 CEEDHN CC(C)(C)c1ncc(NC(=O)[C@H](N)CCCCC#N)cn1 ZINC000594431018 345628479 /nfs/dbraw/zinc/62/84/79/345628479.db2.gz FUNJKIYEYJUPPE-GFCCVEGCSA-N 0 3 289.383 2.124 20 30 CEEDHN C[C@H](Cc1ccsc1)NC(=O)[C@@H](N)CCCCC#N ZINC000594432037 345628686 /nfs/dbraw/zinc/62/86/86/345628686.db2.gz VULULWFITMLYMO-YPMHNXCESA-N 0 3 279.409 2.207 20 30 CEEDHN CC(C)C[C@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594433513 345629446 /nfs/dbraw/zinc/62/94/46/345629446.db2.gz FZKSERNPGZRELI-ZIAGYGMSSA-N 0 3 265.401 2.292 20 30 CEEDHN Cc1cc(F)cc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594436132 345629984 /nfs/dbraw/zinc/62/99/84/345629984.db2.gz LXRVFIPOXWTWHW-CYBMUJFWSA-N 0 3 263.316 2.484 20 30 CEEDHN CCc1nc(CN(C)C(=O)[C@H](N)CCCCC#N)cs1 ZINC000594438568 345630478 /nfs/dbraw/zinc/63/04/78/345630478.db2.gz OLEDTXJQTKEEDS-GFCCVEGCSA-N 0 3 294.424 2.075 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000594438982 345631093 /nfs/dbraw/zinc/63/10/93/345631093.db2.gz RWGPQUHYDVIBJT-CQSZACIVSA-N 0 3 297.362 2.426 20 30 CEEDHN C[C@@H](c1ccncc1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594444279 345631864 /nfs/dbraw/zinc/63/18/64/345631864.db2.gz NUQGETREMDBBNQ-GXTWGEPZSA-N 0 3 274.368 2.012 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000594450362 345633947 /nfs/dbraw/zinc/63/39/47/345633947.db2.gz ZKDGSHIMBXUVFD-IHRRRGAJSA-N 0 3 263.385 2.189 20 30 CEEDHN CC1(C)CCCN[C@@H]1C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594452147 345635012 /nfs/dbraw/zinc/63/50/12/345635012.db2.gz JXIDTRKABIXMHV-OAHLLOKOSA-N 0 3 283.375 2.179 20 30 CEEDHN N#Cc1cccnc1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594603371 345657628 /nfs/dbraw/zinc/65/76/28/345657628.db2.gz UQCGAAGWSBXAEH-KBPBESRZSA-N 0 3 256.353 2.382 20 30 CEEDHN N#CCCc1cn([C@@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000594649330 345666637 /nfs/dbraw/zinc/66/66/37/345666637.db2.gz KVPSZMWQWQPGDQ-MRXNPFEDSA-N 0 3 281.363 2.181 20 30 CEEDHN N#CC1CCN(CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000057875534 362599406 /nfs/dbraw/zinc/59/94/06/362599406.db2.gz ZWWUJDKPIAJTDR-UHFFFAOYSA-N 0 3 275.327 2.390 20 30 CEEDHN CC(C)[C@H](N)c1cn(CC2(C#N)CCCCC2)nn1 ZINC000594657878 345668441 /nfs/dbraw/zinc/66/84/41/345668441.db2.gz HEGSEUVZMSYSLG-ZDUSSCGKSA-N 0 3 261.373 2.408 20 30 CEEDHN C[C@H]1CN(CCCCC#N)CCN1CCCCC#N ZINC000060332686 362659183 /nfs/dbraw/zinc/65/91/83/362659183.db2.gz USXWVBFTSCZWIL-HNNXBMFYSA-N 0 3 262.401 2.380 20 30 CEEDHN C[C@@]1(C#N)CCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000595233101 345746643 /nfs/dbraw/zinc/74/66/43/345746643.db2.gz SKFHWVFAVIRERM-INIZCTEOSA-N 0 3 284.363 2.100 20 30 CEEDHN C[C@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000595254900 345749028 /nfs/dbraw/zinc/74/90/28/345749028.db2.gz BZHPMNCDFMVHCK-VBNZEHGJSA-N 0 3 285.391 2.242 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc2occc2c1 ZINC000595257136 345749525 /nfs/dbraw/zinc/74/95/25/345749525.db2.gz QSJXMIWDKFEMNB-CQSZACIVSA-N 0 3 285.347 2.460 20 30 CEEDHN C=CCCSCCNC(=O)[C@@H]1NCCCC1(C)C ZINC000595257284 345749780 /nfs/dbraw/zinc/74/97/80/345749780.db2.gz SNCSNLLOQFZCRC-LBPRGKRZSA-N 0 3 270.442 2.190 20 30 CEEDHN N#CCCCCC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595258056 345750106 /nfs/dbraw/zinc/75/01/06/345750106.db2.gz RGANBOFGBNEYDW-OAHLLOKOSA-N 0 3 287.363 2.370 20 30 CEEDHN CC(C)N1CC[C@H](NCc2ccc(C3(C#N)CC3)cc2)C1=O ZINC000594920189 345701913 /nfs/dbraw/zinc/70/19/13/345701913.db2.gz DQMYAHPKUPDNTM-INIZCTEOSA-N 0 3 297.402 2.341 20 30 CEEDHN C[C@H](CCNCc1ccc(C2(C#N)CC2)cc1)[S@@](C)=O ZINC000594931865 345707504 /nfs/dbraw/zinc/70/75/04/345707504.db2.gz SRHQSYVRJKKCIO-ZUOKHONESA-N 0 3 290.432 2.488 20 30 CEEDHN Cn1ncc(Cl)c1CNCCc1ccc(C#N)cc1 ZINC000594955638 345715623 /nfs/dbraw/zinc/71/56/23/345715623.db2.gz QNWWDABAMKNAJS-UHFFFAOYSA-N 0 3 274.755 2.277 20 30 CEEDHN C[C@@H]1CCC[C@@H](CNCc2cnc3ccc(C#N)cn23)O1 ZINC000594984626 345722120 /nfs/dbraw/zinc/72/21/20/345722120.db2.gz KFMITQJDSSGVDW-DOMZBBRYSA-N 0 3 284.363 2.253 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2C[C@H](O)C23CCC3)cc1F ZINC000594987429 345722148 /nfs/dbraw/zinc/72/21/48/345722148.db2.gz KMEWOTMLAMKRSH-KGLIPLIRSA-N 0 3 260.312 2.090 20 30 CEEDHN CO[C@@]1(C)C[C@H]1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000594997231 345723893 /nfs/dbraw/zinc/72/38/93/345723893.db2.gz ZNRWHFJNUCFVOF-WBVHZDCISA-N 0 3 296.374 2.226 20 30 CEEDHN C[C@H](NCCc1nnn(C(C)(C)C)n1)c1cccc(C#N)c1 ZINC000595414675 345777085 /nfs/dbraw/zinc/77/70/85/345777085.db2.gz JFIUVJOMYLIMIH-LBPRGKRZSA-N 0 3 298.394 2.193 20 30 CEEDHN CO[C@H](CNC1(c2cccc(C#N)c2)CC1)[C@H]1CCOC1 ZINC000595419488 345777579 /nfs/dbraw/zinc/77/75/79/345777579.db2.gz YTANZZKSQKECCI-GOEBONIOSA-N 0 3 286.375 2.188 20 30 CEEDHN C=CCCSCCNC(=O)NCCN1CCC[C@H](C)C1 ZINC000595456355 345787664 /nfs/dbraw/zinc/78/76/64/345787664.db2.gz VKELIPOOFUELCE-AWEZNQCLSA-N 0 3 299.484 2.327 20 30 CEEDHN CC(C)OCCOC1CCN(CCCC#N)CC1 ZINC000595525804 345804298 /nfs/dbraw/zinc/80/42/98/345804298.db2.gz IGORSDRTNITVDC-UHFFFAOYSA-N 0 3 254.374 2.196 20 30 CEEDHN CC(C)(C)OC(=O)CCN1CCC[C@H](CC#N)C1 ZINC000595613618 345826830 /nfs/dbraw/zinc/82/68/30/345826830.db2.gz FXKJJBCOJWSGKP-GFCCVEGCSA-N 0 3 252.358 2.344 20 30 CEEDHN N#CC[C@@H]1CCCN(CCC(=O)NC2CCCC2)C1 ZINC000595611596 345827283 /nfs/dbraw/zinc/82/72/83/345827283.db2.gz LWQAZIUFWSLWMD-ZDUSSCGKSA-N 0 3 263.385 2.061 20 30 CEEDHN CC(C)NC(=O)NCCNC(C)(C)c1cccc(C#N)c1 ZINC000595633202 345833317 /nfs/dbraw/zinc/83/33/17/345833317.db2.gz OIAGHKANGQHWPS-UHFFFAOYSA-N 0 3 288.395 2.091 20 30 CEEDHN C=CC[C@@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000595658745 345840214 /nfs/dbraw/zinc/84/02/14/345840214.db2.gz IXAZDHIPRNTMPJ-QGZVFWFLSA-N 0 3 297.402 2.463 20 30 CEEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000595662038 345840884 /nfs/dbraw/zinc/84/08/84/345840884.db2.gz YTAVHCNPHGKEKS-KBPBESRZSA-N 0 3 275.396 2.225 20 30 CEEDHN N#Cc1cc(CN2CC[C@@H]3COC[C@H]3C2)ccc1F ZINC000595830719 345888151 /nfs/dbraw/zinc/88/81/51/345888151.db2.gz LGWYKQBTARLBAY-TZMCWYRMSA-N 0 3 260.312 2.166 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(CC)C[C@@H](C)C#N ZINC000595844399 345897347 /nfs/dbraw/zinc/89/73/47/345897347.db2.gz DAVPEEKBSSDHKH-SOUVJXGZSA-N 0 3 275.396 2.178 20 30 CEEDHN Cc1cc(NCCN2CCC(C)CC2)cc(C#N)n1 ZINC000308280827 201854323 /nfs/dbraw/zinc/85/43/23/201854323.db2.gz SSAFDJPKFRZBOD-UHFFFAOYSA-N 0 3 258.369 2.406 20 30 CEEDHN CC(C)[C@@H]1C[C@H](NCc2cccc(C#N)n2)CCO1 ZINC000602582775 347088625 /nfs/dbraw/zinc/08/86/25/347088625.db2.gz UNORTEFHXNIELX-DOMZBBRYSA-N 0 3 259.353 2.246 20 30 CEEDHN Cc1ccnc(NC(=O)[C@H](N)CCCC#N)c1C1CC1 ZINC000595938916 345915293 /nfs/dbraw/zinc/91/52/93/345915293.db2.gz RGLRUTSWSFSUCU-GFCCVEGCSA-N 0 3 272.352 2.227 20 30 CEEDHN CC1(C)CN(C(=O)[C@H](N)CCCC#N)[C@H]1c1cccnc1 ZINC000595946798 345917410 /nfs/dbraw/zinc/91/74/10/345917410.db2.gz HKDFBBUUMMOJQS-KGLIPLIRSA-N 0 3 286.379 2.012 20 30 CEEDHN C=CCCSCCNC(=O)C1(NC2CC2)CCC1 ZINC000595959803 345918078 /nfs/dbraw/zinc/91/80/78/345918078.db2.gz GJLGJUVQYHLNTM-UHFFFAOYSA-N 0 3 268.426 2.087 20 30 CEEDHN N#CC1(CNC(=O)C2(NC3CC3)CCC2)CCCCC1 ZINC000595973514 345919517 /nfs/dbraw/zinc/91/95/17/345919517.db2.gz WGQDORNBEMBGAA-UHFFFAOYSA-N 0 3 275.396 2.251 20 30 CEEDHN CCN1CCN(c2cc(C)c([N+](=O)[O-])c(C#N)c2)C[C@H]1C ZINC000596173719 345959819 /nfs/dbraw/zinc/95/98/19/345959819.db2.gz ZFHKUJLTCQXHGP-GFCCVEGCSA-N 0 3 288.351 2.305 20 30 CEEDHN CCN1CCN(CCNc2ccc(C#N)c(Cl)c2)CC1 ZINC000596073182 345933484 /nfs/dbraw/zinc/93/34/84/345933484.db2.gz IMDYXSAJJHPQOM-UHFFFAOYSA-N 0 3 292.814 2.261 20 30 CEEDHN CN(CCNc1nc2ncccc2cc1C#N)C1CC1 ZINC000596087858 345937145 /nfs/dbraw/zinc/93/71/45/345937145.db2.gz JVALVNGNUNXZER-UHFFFAOYSA-N 0 3 267.336 2.008 20 30 CEEDHN N#Cc1c(N[C@@H]2CCN(C3CC3)C2)cccc1-n1cccn1 ZINC000596092435 345937732 /nfs/dbraw/zinc/93/77/32/345937732.db2.gz VSQQVFSXBSUTFD-CYBMUJFWSA-N 0 3 293.374 2.393 20 30 CEEDHN C=CCCSCCNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000596717625 346079707 /nfs/dbraw/zinc/07/97/07/346079707.db2.gz NJLPWXWNAKMWJN-KBPBESRZSA-N 0 3 297.468 2.031 20 30 CEEDHN C=CCCSCCNC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000596717211 346079832 /nfs/dbraw/zinc/07/98/32/346079832.db2.gz GBNWTQKPKVMHLX-ZDUSSCGKSA-N 0 3 285.457 2.031 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000596897505 346103427 /nfs/dbraw/zinc/10/34/27/346103427.db2.gz ZRWKKCURLSQFIN-FMKPAKJESA-N 0 3 285.391 2.488 20 30 CEEDHN CN1CCC[C@H](CNC(=O)CC2(C#N)CCCCC2)C1 ZINC000597180573 346142982 /nfs/dbraw/zinc/14/29/82/346142982.db2.gz RILAPRVVSYKFJR-CQSZACIVSA-N 0 3 277.412 2.309 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CC[C@H]1O ZINC000597091372 346128063 /nfs/dbraw/zinc/12/80/63/346128063.db2.gz DKAJZHVEGBEJLE-CZUORRHYSA-N 0 3 270.376 2.444 20 30 CEEDHN C[C@@H]1C[C@H](O)CN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597147051 346135515 /nfs/dbraw/zinc/13/55/15/346135515.db2.gz WVLXAKWEVFVKAG-CJNGLKHVSA-N 0 3 270.376 2.444 20 30 CEEDHN COC(=O)CC1(NCc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597157741 346137400 /nfs/dbraw/zinc/13/74/00/346137400.db2.gz JJMIOFDAPXHICQ-UHFFFAOYSA-N 0 3 284.359 2.427 20 30 CEEDHN COC[C@@H](CC1CCOCC1)NCC1(C#N)CCCC1 ZINC000597159373 346138239 /nfs/dbraw/zinc/13/82/39/346138239.db2.gz ZDEAXOKIKNVHDD-OAHLLOKOSA-N 0 3 280.412 2.492 20 30 CEEDHN C[C@@H](CC#N)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000597314773 346170567 /nfs/dbraw/zinc/17/05/67/346170567.db2.gz XPLACPMNGHIGLE-GOEBONIOSA-N 0 3 285.391 2.269 20 30 CEEDHN N#Cc1csc(CN2CCC[C@](O)(C3CC3)C2)c1 ZINC000597205667 346148173 /nfs/dbraw/zinc/14/81/73/346148173.db2.gz OEKKAZRUFSLKEC-CQSZACIVSA-N 0 3 262.378 2.357 20 30 CEEDHN CN(C)C1(CNC(=O)CC2(C#N)CCCCC2)CC1 ZINC000597784648 346230675 /nfs/dbraw/zinc/23/06/75/346230675.db2.gz VJXWEDOKAGHMET-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000597878207 346243737 /nfs/dbraw/zinc/24/37/37/346243737.db2.gz NYIHXTAMUBJFPV-BZUAXINKSA-N 0 3 286.375 2.179 20 30 CEEDHN CCN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@H]1CCN(C)C1 ZINC000597944080 346255555 /nfs/dbraw/zinc/25/55/55/346255555.db2.gz BYGLYSDHODLNDD-YESZJQIVSA-N 0 3 297.402 2.214 20 30 CEEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)C1(CO)CC1 ZINC000598035925 346272781 /nfs/dbraw/zinc/27/27/81/346272781.db2.gz DWMSUVQMAAQURS-ZFWWWQNUSA-N 0 3 286.375 2.036 20 30 CEEDHN CCN(C(=O)c1ccc(C#N)cc1)[C@H]1CCN(CC)C1 ZINC000598044034 346274938 /nfs/dbraw/zinc/27/49/38/346274938.db2.gz YHHKRUZEWQKQEQ-HNNXBMFYSA-N 0 3 271.364 2.115 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc(C#N)cs1 ZINC000598261932 346315957 /nfs/dbraw/zinc/31/59/57/346315957.db2.gz IYQQFLABTYNWCI-GFCCVEGCSA-N 0 3 291.420 2.470 20 30 CEEDHN CCC(C#N)C(=O)NCC1(C(=O)OC(C)(C)C)CCC1 ZINC000598500373 346366792 /nfs/dbraw/zinc/36/67/92/346366792.db2.gz UHAREHCKEXZXHL-LLVKDONJSA-N 0 3 280.368 2.164 20 30 CEEDHN CC(C)CCO[C@@H]1CCN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598632490 346388406 /nfs/dbraw/zinc/38/84/06/346388406.db2.gz DSOAFQGUORHWGF-HUUCEWRRSA-N 0 3 282.428 2.424 20 30 CEEDHN Cc1ccc(CN(C)C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598586509 346377311 /nfs/dbraw/zinc/37/73/11/346377311.db2.gz HKTXCYVQCJTFLV-LBPRGKRZSA-N 0 3 250.342 2.321 20 30 CEEDHN COc1ccccc1CN(C)C[C@H](O)CC(C)(C)C#N ZINC000598586906 346377814 /nfs/dbraw/zinc/37/78/14/346377814.db2.gz KRHDAPSKRPCXCA-CQSZACIVSA-N 0 3 276.380 2.428 20 30 CEEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc2c(c1)OCO2 ZINC000598603541 346382820 /nfs/dbraw/zinc/38/28/20/346382820.db2.gz VILJIKKRLQWMJE-YPMHNXCESA-N 0 3 290.363 2.367 20 30 CEEDHN Cc1noc(C)c1C(C)(C)NC[C@H](O)CC(C)(C)C#N ZINC000598617782 346384724 /nfs/dbraw/zinc/38/47/24/346384724.db2.gz VSUFVEFQSQPBNW-GFCCVEGCSA-N 0 3 279.384 2.417 20 30 CEEDHN CC[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)[C@@H](CC)CO1 ZINC000598621750 346386010 /nfs/dbraw/zinc/38/60/10/346386010.db2.gz DCFBCFGHXJYVGY-MELADBBJSA-N 0 3 268.401 2.177 20 30 CEEDHN Cc1ccnc([C@H]2CCN(C[C@@H](O)CC(C)(C)C#N)C2)c1 ZINC000598620930 346386141 /nfs/dbraw/zinc/38/61/41/346386141.db2.gz PXMGIUQFPOPIFB-GJZGRUSLSA-N 0 3 287.407 2.480 20 30 CEEDHN CC[C@H]1COC(C)(C)CN1C[C@@H](O)CC(C)(C)C#N ZINC000598622889 346386657 /nfs/dbraw/zinc/38/66/57/346386657.db2.gz OPPHGHCTMPACPZ-STQMWFEESA-N 0 3 268.401 2.177 20 30 CEEDHN CC(C)O[C@H]1CCCN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598624111 346386847 /nfs/dbraw/zinc/38/68/47/346386847.db2.gz WWQAAYAYJAJPEP-KBPBESRZSA-N 0 3 268.401 2.177 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN[C@@H](CCO)c1ccccc1F ZINC000598626703 346387868 /nfs/dbraw/zinc/38/78/68/346387868.db2.gz ZQCJVMJGVMJLMV-WFASDCNBSA-N 0 3 294.370 2.140 20 30 CEEDHN COc1cc(C)cc(CNC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598726432 346409811 /nfs/dbraw/zinc/40/98/11/346409811.db2.gz SXJOJCIATBPRBH-AWEZNQCLSA-N 0 3 276.380 2.394 20 30 CEEDHN CCCOc1ncccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598719114 346407085 /nfs/dbraw/zinc/40/70/85/346407085.db2.gz GJEOMORMKLALRT-AWEZNQCLSA-N 0 3 291.395 2.261 20 30 CEEDHN CC1CC(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000598777986 346417779 /nfs/dbraw/zinc/41/77/79/346417779.db2.gz DYZCGLOKDZVFOW-MOQPWLNLSA-N 0 3 281.359 2.403 20 30 CEEDHN C[C@H](CC#N)C(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000598843445 346426929 /nfs/dbraw/zinc/42/69/29/346426929.db2.gz LXWRASUZTYDKQB-UKRRQHHQSA-N 0 3 285.391 2.446 20 30 CEEDHN Cc1cc(CNCCN(C)CC(F)F)ccc1C#N ZINC000599022455 346447581 /nfs/dbraw/zinc/44/75/81/346447581.db2.gz KYNGEYFXIZCUKM-UHFFFAOYSA-N 0 3 267.323 2.153 20 30 CEEDHN N#CCN1CCC(N[C@@H]2CCCc3scnc32)CC1 ZINC000599028718 346449184 /nfs/dbraw/zinc/44/91/84/346449184.db2.gz WHDBAHAXXBYCMX-GFCCVEGCSA-N 0 3 276.409 2.098 20 30 CEEDHN CCC(CC)[NH2+]CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000599097434 346459787 /nfs/dbraw/zinc/45/97/87/346459787.db2.gz HXAMBRVCCCXXPM-UHFFFAOYSA-N 0 3 272.805 2.280 20 30 CEEDHN N#CCC1CCN(Cc2c[nH]c3ncncc23)CC1 ZINC000602597900 347094131 /nfs/dbraw/zinc/09/41/31/347094131.db2.gz UABKDHBXHBDZPA-UHFFFAOYSA-N 0 3 255.325 2.035 20 30 CEEDHN Cc1ncc([C@H](C)NC(=O)[C@@H](N)CCCCC#N)s1 ZINC000602599047 347094749 /nfs/dbraw/zinc/09/47/49/347094749.db2.gz FUQZJRCVISOPBC-ONGXEEELSA-N 0 3 280.397 2.040 20 30 CEEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccsc1 ZINC000599400853 346513896 /nfs/dbraw/zinc/51/38/96/346513896.db2.gz FYCCIENFSWVNPB-ZYHUDNBSSA-N 0 3 250.367 2.453 20 30 CEEDHN C[C@H](c1ccco1)N(C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599271219 346488651 /nfs/dbraw/zinc/48/86/51/346488651.db2.gz CQKCNOIKHXDKNP-KGLIPLIRSA-N 0 3 292.379 2.344 20 30 CEEDHN COC(=O)C[C@H]1CCCN1Cc1ccc(C)c(C#N)c1 ZINC000599335260 346500315 /nfs/dbraw/zinc/50/03/15/346500315.db2.gz QYAQXWDRLHNBPF-OAHLLOKOSA-N 0 3 272.348 2.394 20 30 CEEDHN Cc1ccc(CN2CCC[C@@H]([C@@H](C)O)C2)cc1C#N ZINC000599334985 346500577 /nfs/dbraw/zinc/50/05/77/346500577.db2.gz LOKFBXSKPLGAMZ-UKRRQHHQSA-N 0 3 258.365 2.460 20 30 CEEDHN C/C=C\C[C@@H]1CCCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000599688571 346565969 /nfs/dbraw/zinc/56/59/69/346565969.db2.gz FERZFHKQKBXXAB-ZYDHHDLOSA-N 0 3 277.412 2.425 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](C/C=C\C)C1 ZINC000599693253 346569185 /nfs/dbraw/zinc/56/91/85/346569185.db2.gz YQFTVMSKUIJKBH-PSVOHZHUSA-N 0 3 293.411 2.065 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000600522416 346648086 /nfs/dbraw/zinc/64/80/86/346648086.db2.gz PEMYICZLPRNRHO-ULQDDVLXSA-N 0 3 298.386 2.443 20 30 CEEDHN N#CCCCC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600230281 346627727 /nfs/dbraw/zinc/62/77/27/346627727.db2.gz PYIWNRSHMLMVPH-CQSZACIVSA-N 0 3 263.385 2.203 20 30 CEEDHN CC[C@H](N)c1cn(-c2ccc(Cl)cc2C#N)nn1 ZINC000600975955 346724066 /nfs/dbraw/zinc/72/40/66/346724066.db2.gz MGMHIIGWGPYXBW-JTQLQIEISA-N 0 3 261.716 2.202 20 30 CEEDHN N#CC1(C[C@@H](O)CNCc2nc3ccccc3s2)CC1 ZINC000600720523 346677817 /nfs/dbraw/zinc/67/78/17/346677817.db2.gz ZHKPVJGMUHTFPR-LLVKDONJSA-N 0 3 287.388 2.441 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCC1(C#N)CCCCC1 ZINC000600752708 346684223 /nfs/dbraw/zinc/68/42/23/346684223.db2.gz GMSRDMZFICHLFZ-CYBMUJFWSA-N 0 3 263.385 2.351 20 30 CEEDHN N#Cc1cccc(-c2ccc(N3CCNCC3)nc2)c1 ZINC000600778372 346688702 /nfs/dbraw/zinc/68/87/02/346688702.db2.gz XLVQIOORNUYCAH-UHFFFAOYSA-N 0 3 264.332 2.030 20 30 CEEDHN CN(C)CCNc1ccc(-c2ccc(F)cc2C#N)cn1 ZINC000600787821 346689928 /nfs/dbraw/zinc/68/99/28/346689928.db2.gz FHFFGVDJOCETTH-UHFFFAOYSA-N 0 3 284.338 2.155 20 30 CEEDHN CN(C)CCn1cc(-c2cccc(F)c2C#N)cn1 ZINC000600788911 346690682 /nfs/dbraw/zinc/69/06/82/346690682.db2.gz BPSNETPLDXOZIA-UHFFFAOYSA-N 0 3 258.300 2.122 20 30 CEEDHN COCCc1ncc(CN[C@@H]2CC[C@H](C#N)C2)s1 ZINC000601128900 346762549 /nfs/dbraw/zinc/76/25/49/346762549.db2.gz GNEBHIHGJBDZQH-WDEREUQCSA-N 0 3 265.382 2.114 20 30 CEEDHN CCOC(=O)c1cc(CNCC(C)(C)CCC#N)on1 ZINC000601162531 346773712 /nfs/dbraw/zinc/77/37/12/346773712.db2.gz QUDXNWGOAIWMQH-UHFFFAOYSA-N 0 3 279.340 2.271 20 30 CEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C1(C#N)CC2(CC2)C1 ZINC000601011008 346731684 /nfs/dbraw/zinc/73/16/84/346731684.db2.gz MFHZJZXASCXLOM-ZIAGYGMSSA-N 0 3 289.423 2.307 20 30 CEEDHN N#Cc1cc(N[C@H]2CCCN3CCCC[C@H]23)nc(C2CC2)n1 ZINC000601188808 346781619 /nfs/dbraw/zinc/78/16/19/346781619.db2.gz AZPRHZDGAKPNNF-LSDHHAIUSA-N 0 3 297.406 2.076 20 30 CEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1Cc1nc(C#N)cs1 ZINC000356312503 370654499 /nfs/dbraw/zinc/65/44/99/370654499.db2.gz CTVCURTWNZFCNJ-AAEUAGOBSA-N 0 3 276.409 2.073 20 30 CEEDHN CCOC(=O)CC1(NCc2cccc(C#N)n2)CCCC1 ZINC000602642697 347120262 /nfs/dbraw/zinc/12/02/62/347120262.db2.gz HAUJARWPZVNIQT-UHFFFAOYSA-N 0 3 287.363 2.309 20 30 CEEDHN Cc1cccnc1CCCNCc1cccc(C#N)n1 ZINC000602674992 347137302 /nfs/dbraw/zinc/13/73/02/347137302.db2.gz JLPUCSBLYBSKJB-UHFFFAOYSA-N 0 3 266.348 2.379 20 30 CEEDHN COc1ccc(N2CCN(C[C@H](C)CCC#N)CC2)nc1 ZINC000602684919 347144223 /nfs/dbraw/zinc/14/42/23/347144223.db2.gz AOJFSGGSRPCRKB-CQSZACIVSA-N 0 3 288.395 2.152 20 30 CEEDHN CO[C@@H](CNCc1ccc(CC#N)cc1)C1CCOCC1 ZINC000602700736 347156507 /nfs/dbraw/zinc/15/65/07/347156507.db2.gz OEBYXKXBBXQIOH-KRWDZBQOSA-N 0 3 288.391 2.284 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)n1 ZINC000602664317 347130433 /nfs/dbraw/zinc/13/04/33/347130433.db2.gz UIGOCPGARJJZNO-IXDOHACOSA-N 0 3 261.328 2.381 20 30 CEEDHN C[C@H]1CCN(CC2(CC#N)CC2)C[C@@H]1n1ccnc1 ZINC000602794334 347200691 /nfs/dbraw/zinc/20/06/91/347200691.db2.gz ACQSENQYVWUSAW-KBPBESRZSA-N 0 3 258.369 2.460 20 30 CEEDHN CN(CC1(CC#N)CC1)[C@@H](CC(N)=O)c1ccccc1 ZINC000602821615 347213276 /nfs/dbraw/zinc/21/32/76/347213276.db2.gz PKHXVBBQJZSXRK-AWEZNQCLSA-N 0 3 271.364 2.229 20 30 CEEDHN CN(C)CCN(Cc1ccccn1)CC1(CC#N)CC1 ZINC000602834335 347218291 /nfs/dbraw/zinc/21/82/91/347218291.db2.gz APIGDBMDFIVXOS-UHFFFAOYSA-N 0 3 272.396 2.139 20 30 CEEDHN C[C@@H]1CN(CCCOC(C)(C)C)C[C@@H](C)N1CC#N ZINC000602858328 347227145 /nfs/dbraw/zinc/22/71/45/347227145.db2.gz ACUFKWXZHFQZHF-ZIAGYGMSSA-N 0 3 267.417 2.110 20 30 CEEDHN CC(C)(C#N)CCC[N@@H+]1CC[C@@H](c2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000602867010 347231013 /nfs/dbraw/zinc/23/10/13/347231013.db2.gz XGBJTJSQOSYTMM-LLVKDONJSA-N 0 3 290.367 2.007 20 30 CEEDHN CC(C)(C#N)CCC[N@H+]1CC[C@@H](c2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000602867010 347231018 /nfs/dbraw/zinc/23/10/18/347231018.db2.gz XGBJTJSQOSYTMM-LLVKDONJSA-N 0 3 290.367 2.007 20 30 CEEDHN Cn1cc(C2=CCCN([C@H]3CC[C@H](C#N)C3)C2)cn1 ZINC000602883821 347238256 /nfs/dbraw/zinc/23/82/56/347238256.db2.gz ROZLVEKFIQOOEL-WFASDCNBSA-N 0 3 256.353 2.201 20 30 CEEDHN CCC[C@@H](O)CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908069 347244461 /nfs/dbraw/zinc/24/44/61/347244461.db2.gz YVILJHARVADCQQ-OAHLLOKOSA-N 0 3 273.380 2.294 20 30 CEEDHN N#Cc1cc(NC(=O)N2CC[C@H](N3CCCCC3)C2)ccn1 ZINC000603133861 347294266 /nfs/dbraw/zinc/29/42/66/347294266.db2.gz ZWKKCYWFFSYXGA-HNNXBMFYSA-N 0 3 299.378 2.045 20 30 CEEDHN N#Cc1cnn(-c2ccccc2)c1N[C@@H]1CCN(C2CC2)C1 ZINC000603279161 347327833 /nfs/dbraw/zinc/32/78/33/347327833.db2.gz OBRUMUPYZNEVDR-CQSZACIVSA-N 0 3 293.374 2.393 20 30 CEEDHN CCC[C@H](N)c1cn(CCOc2ccccc2C#N)nn1 ZINC000603210897 347309839 /nfs/dbraw/zinc/30/98/39/347309839.db2.gz HDTLPTFURHARQC-ZDUSSCGKSA-N 0 3 285.351 2.029 20 30 CEEDHN CC#CC[C@H](CO)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000603432675 347369080 /nfs/dbraw/zinc/36/90/80/347369080.db2.gz PLRJIXWBCRLPNZ-BMQCOBNYSA-N 0 3 288.347 2.362 20 30 CEEDHN CCN(C[C@@H]1COCCO1)[C@H](C)c1ccc(C#N)cc1 ZINC000336824154 365880491 /nfs/dbraw/zinc/88/04/91/365880491.db2.gz SXKLGNUMFJNNGW-CZUORRHYSA-N 0 3 274.364 2.357 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C1CC1)C1CCCC1 ZINC000609144579 347628824 /nfs/dbraw/zinc/62/88/24/347628824.db2.gz XKIXRRSASIZRAX-MRXNPFEDSA-N 0 3 277.412 2.448 20 30 CEEDHN COc1ccccc1C(C)(C)CNC(=O)C(C)C#N ZINC000609920713 347655651 /nfs/dbraw/zinc/65/56/51/347655651.db2.gz CLYUUVNNBNAGBX-NSHDSACASA-N 0 3 260.337 2.249 20 30 CEEDHN N#Cc1csc(CN[C@@H]2CCN(CC3CC3)C2)c1 ZINC000610488790 347684407 /nfs/dbraw/zinc/68/44/07/347684407.db2.gz UUOQOLYJWUDECB-CYBMUJFWSA-N 0 3 261.394 2.194 20 30 CEEDHN C[C@H](NC[C@H](O)COC(C)(C)C)c1cccc(C#N)c1 ZINC000611388146 347771755 /nfs/dbraw/zinc/77/17/55/347771755.db2.gz JVPBMKGPGLLWBK-WFASDCNBSA-N 0 3 276.380 2.385 20 30 CEEDHN CCNC(=O)[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611390359 347772570 /nfs/dbraw/zinc/77/25/70/347772570.db2.gz VWQLQJIXCGDZHO-ABAIWWIYSA-N 0 3 271.364 2.050 20 30 CEEDHN Cc1cccc2c1ncc(C#N)c2NC1CCN(C)CC1 ZINC000610908710 347721530 /nfs/dbraw/zinc/72/15/30/347721530.db2.gz NJWVENBKAGMBQW-UHFFFAOYSA-N 0 3 280.375 2.343 20 30 CEEDHN CC(C#N)C(=O)N1Cc2ccccc2C(F)(F)C1 ZINC000610925734 347722832 /nfs/dbraw/zinc/72/28/32/347722832.db2.gz NBTKZVJMEYSPIP-SECBINFHSA-N 0 3 250.248 2.280 20 30 CEEDHN C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccccc1C#N ZINC000611120978 347741668 /nfs/dbraw/zinc/74/16/68/347741668.db2.gz SAZDPRKEBASYAE-SUMWQHHRSA-N 0 3 297.402 2.295 20 30 CEEDHN CC(C)(CCC#N)CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000611252785 347759288 /nfs/dbraw/zinc/75/92/88/347759288.db2.gz MVCWMYCWXDGZCH-HNNXBMFYSA-N 0 3 279.428 2.113 20 30 CEEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000611798271 347817639 /nfs/dbraw/zinc/81/76/39/347817639.db2.gz KQYWLYGDLGSBQC-KQYVJACZSA-N 0 3 267.394 2.012 20 30 CEEDHN Cc1ccc(CCCN2CCN(CCC#N)CC2)cc1 ZINC000612110168 347846449 /nfs/dbraw/zinc/84/64/49/347846449.db2.gz PNOOFDPPHBOJAW-UHFFFAOYSA-N 0 3 271.408 2.459 20 30 CEEDHN C[C@@H](C(=O)NCC1(N(C)C)CCC1)c1cccc(C#N)c1 ZINC000360464411 295775495 /nfs/dbraw/zinc/77/54/95/295775495.db2.gz BPLZTIDLKYFTBJ-CYBMUJFWSA-N 0 3 285.391 2.262 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612376095 347876746 /nfs/dbraw/zinc/87/67/46/347876746.db2.gz SGHZJRKMWVPCAW-GOEBONIOSA-N 0 3 292.427 2.196 20 30 CEEDHN CCOc1ccc2c(c1)[C@@H](NC(=O)C(C)C#N)CCO2 ZINC000614101584 348144563 /nfs/dbraw/zinc/14/45/63/348144563.db2.gz TVRAGYSONVZUET-MFKMUULPSA-N 0 3 274.320 2.185 20 30 CEEDHN C[C@H]1CN(Cc2cc(F)ccc2C#N)[C@@H](C)CN1C ZINC000351921529 219248267 /nfs/dbraw/zinc/24/82/67/219248267.db2.gz QXTCJIXUQKYWSM-RYUDHWBXSA-N 0 3 261.344 2.222 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCOCC2(CC2)C1 ZINC000614405999 348195454 /nfs/dbraw/zinc/19/54/54/348195454.db2.gz MEHUGNPYOIHTQD-UHFFFAOYSA-N 0 3 256.349 2.479 20 30 CEEDHN CC[C@](C)(O)CNC1CC(C#N)(c2ccccc2)C1 ZINC000087011878 179378957 /nfs/dbraw/zinc/37/89/57/179378957.db2.gz AOCLTGZCGCLXCS-PCKAHOCUSA-N 0 3 258.365 2.361 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@H](C)N(C)C[C@H]1C ZINC000351952939 219262596 /nfs/dbraw/zinc/26/25/96/219262596.db2.gz ZIEJNNGFRVPTJO-QWHCGFSZSA-N 0 3 273.380 2.091 20 30 CEEDHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccc(C#N)o1 ZINC000273398037 192137917 /nfs/dbraw/zinc/13/79/17/192137917.db2.gz FWYDGYHBPXJGLY-HIFRSBDPSA-N 0 3 276.336 2.363 20 30 CEEDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccc(C#N)o1 ZINC000273398035 192138545 /nfs/dbraw/zinc/13/85/45/192138545.db2.gz FWYDGYHBPXJGLY-DZGCQCFKSA-N 0 3 276.336 2.363 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000617008784 348609637 /nfs/dbraw/zinc/60/96/37/348609637.db2.gz LZHBOGYJRFTOSX-CJNGLKHVSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CC[C@H](CO)NCc1cc(Cl)cc2c1OCC2 ZINC000273459266 192159683 /nfs/dbraw/zinc/15/96/83/192159683.db2.gz HKCRUAAXLSIKAZ-CYBMUJFWSA-N 0 3 267.756 2.302 20 30 CEEDHN C=CCN(C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)[C@H](C)COC ZINC000617579007 348742109 /nfs/dbraw/zinc/74/21/09/348742109.db2.gz WAGDTWBTGDXNSB-BARDWOONSA-N 0 3 282.428 2.297 20 30 CEEDHN C=CCC1(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CCOCC1 ZINC000618247081 348905808 /nfs/dbraw/zinc/90/58/08/348905808.db2.gz JNIKVPZJNSQVNC-ZNMIVQPWSA-N 0 3 294.439 2.489 20 30 CEEDHN Cc1cc(CN2CCC[C@H](CCO)C2)ccc1C#N ZINC000618593676 348990359 /nfs/dbraw/zinc/99/03/59/348990359.db2.gz ZDJLQIASOFPOER-CQSZACIVSA-N 0 3 258.365 2.461 20 30 CEEDHN COC(=O)c1ccc(CN[C@H]2CCc3cc(C#N)ccc32)[nH]1 ZINC000618831433 349048012 /nfs/dbraw/zinc/04/80/12/349048012.db2.gz RMFVDLUURKLKEE-HNNXBMFYSA-N 0 3 295.342 2.450 20 30 CEEDHN CO[C@@H]1CC[C@@H]2OCCN(C[C@@H](C)CCC#N)[C@@H]2C1 ZINC000618887880 349060051 /nfs/dbraw/zinc/06/00/51/349060051.db2.gz IKBKKMRKECUAGB-YJNKXOJESA-N 0 3 266.385 2.195 20 30 CEEDHN C[C@H]1CCC[C@]1(O)CNCc1ccc(C#N)c(F)c1 ZINC000404153984 233193072 /nfs/dbraw/zinc/19/30/72/233193072.db2.gz UNODRRNXOLPPSA-NHYWBVRUSA-N 0 3 262.328 2.338 20 30 CEEDHN N#Cc1ccc(CNCCOC(F)(F)F)cc1F ZINC000404259557 233193128 /nfs/dbraw/zinc/19/31/28/233193128.db2.gz QNBJQKJQXPHRPP-UHFFFAOYSA-N 0 3 262.206 2.323 20 30 CEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc[nH]c1 ZINC000068310426 362939346 /nfs/dbraw/zinc/93/93/46/362939346.db2.gz VXTICNPVHFHEKS-UHFFFAOYSA-N 0 3 296.374 2.090 20 30 CEEDHN CCOC(=O)[C@H](C)[C@H](C)NCc1cc(C#N)ccc1F ZINC000273998757 192395254 /nfs/dbraw/zinc/39/52/54/192395254.db2.gz KMFMLBFYFIGBCQ-MNOVXSKESA-N 0 3 278.327 2.375 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000619511450 349190978 /nfs/dbraw/zinc/19/09/78/349190978.db2.gz HMFQOLMOSJAISG-KRWDZBQOSA-N 0 3 286.375 2.338 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(F)cc2C#N)C[C@@H](C)N1C ZINC000339615737 215270430 /nfs/dbraw/zinc/27/04/30/215270430.db2.gz UCLIETFHGCSINN-VXGBXAGGSA-N 0 3 261.344 2.222 20 30 CEEDHN Cc1cc(CN2C[C@@H](C)N(C)[C@@H](C)C2)ccc1C#N ZINC000339630907 215279684 /nfs/dbraw/zinc/27/96/84/215279684.db2.gz YLWMKKQZMZKKCX-OKILXGFUSA-N 0 3 257.381 2.391 20 30 CEEDHN CC(C)N1CCN(CCCN2CCC[C@](C)(C#N)C2)CC1 ZINC000619720332 349228695 /nfs/dbraw/zinc/22/86/95/349228695.db2.gz CGHMAUOMSJEZEH-QGZVFWFLSA-N 0 3 292.471 2.028 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2CCN(CCC)C2)CCC1 ZINC000619902127 349251129 /nfs/dbraw/zinc/25/11/29/349251129.db2.gz AGJXXQYCYVQOBC-CYBMUJFWSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000623634886 350071478 /nfs/dbraw/zinc/07/14/78/350071478.db2.gz DSGAAQXOXYXRHM-XOIINTDNSA-N 0 3 291.439 2.372 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)NC2CCN(CC)CC2)C1 ZINC000623705256 350086953 /nfs/dbraw/zinc/08/69/53/350086953.db2.gz ORJHYSXXAJRKIZ-CYBMUJFWSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000623719222 350091734 /nfs/dbraw/zinc/09/17/34/350091734.db2.gz MDFZTQJUCYOJGW-GFCCVEGCSA-N 0 3 265.401 2.125 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000623725547 350094407 /nfs/dbraw/zinc/09/44/07/350094407.db2.gz BXDKDLCPOCZZAZ-CHWSQXEVSA-N 0 3 265.401 2.077 20 30 CEEDHN C[C@H](NC[C@H]1CN2CCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000091662761 180219831 /nfs/dbraw/zinc/21/98/31/180219831.db2.gz KUYLOCNOJVIVAB-XKQJLSEDSA-N 0 3 285.391 2.072 20 30 CEEDHN C[C@@H](C1CC1)N(C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625062345 350399690 /nfs/dbraw/zinc/39/96/90/350399690.db2.gz YKWBZHOMSHFMPA-ZDUSSCGKSA-N 0 3 296.370 2.016 20 30 CEEDHN COc1cc(C#N)ccc1OCCN(C)[C@@H]1CCCOC1 ZINC000352195082 219356615 /nfs/dbraw/zinc/35/66/15/219356615.db2.gz NXAXCRDJYJTTDD-CQSZACIVSA-N 0 3 290.363 2.056 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)N2CCc3ccccc32)C1 ZINC000625699333 350549241 /nfs/dbraw/zinc/54/92/41/350549241.db2.gz CYTYAIYGCORWNA-AWEZNQCLSA-N 0 3 270.376 2.474 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)NCCc2ccc(F)cc2)C1 ZINC000625699734 350549522 /nfs/dbraw/zinc/54/95/22/350549522.db2.gz GJRLLQKLEININM-OAHLLOKOSA-N 0 3 290.382 2.382 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@]1(CO)CCCC(C)(C)C1 ZINC000625835022 350582341 /nfs/dbraw/zinc/58/23/41/350582341.db2.gz RJDRADMJRDHYJS-QGZVFWFLSA-N 0 3 296.455 2.332 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108510487 186220980 /nfs/dbraw/zinc/22/09/80/186220980.db2.gz ZUOHWJLQOKUIBT-AWEZNQCLSA-N 0 3 286.379 2.330 20 30 CEEDHN C#CCCOc1ccc(CN2C[C@H](O)[C@@H](CC)C2)cc1 ZINC000271389444 191112877 /nfs/dbraw/zinc/11/28/77/191112877.db2.gz SUNWUWHMHHBBMD-RDJZCZTQSA-N 0 3 273.376 2.291 20 30 CEEDHN CN1CCN(CCCOc2cccc(C#N)c2)CC1(C)C ZINC000110719203 186316642 /nfs/dbraw/zinc/31/66/42/186316642.db2.gz WAKICAALSGFQOX-UHFFFAOYSA-N 0 3 287.407 2.353 20 30 CEEDHN N#Cc1cccc(CNC[C@@H]2COC3(CCCC3)O2)c1 ZINC000271408419 191121238 /nfs/dbraw/zinc/12/12/38/191121238.db2.gz JPCYRESJBFNBKB-OAHLLOKOSA-N 0 3 272.348 2.334 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1CCC(N2CCCOCC2)CC1 ZINC000627741829 350915552 /nfs/dbraw/zinc/91/55/52/350915552.db2.gz WUXZHFFZEWBYPE-QGZVFWFLSA-N 0 3 294.439 2.302 20 30 CEEDHN CN1CCC(CC(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000291611270 198049999 /nfs/dbraw/zinc/04/99/99/198049999.db2.gz YFZYHBHKSXHKKO-UHFFFAOYSA-N 0 3 275.327 2.368 20 30 CEEDHN C=CCN1CC[C@H](N2CCS[C@H]3CCCC[C@H]32)C1=O ZINC000337183083 366060361 /nfs/dbraw/zinc/06/03/61/366060361.db2.gz NDFPVKXDCNRPPT-RDBSUJKOSA-N 0 3 280.437 2.133 20 30 CEEDHN Cn1cc(CN[C@@H]2CCN(c3ccccc3F)C2)cc1C#N ZINC000291758373 198081805 /nfs/dbraw/zinc/08/18/05/198081805.db2.gz RDYQZEVYUKHRAQ-CQSZACIVSA-N 0 3 298.365 2.404 20 30 CEEDHN C=CCNC(=O)CN[C@H](CC)c1ccc(OC)cc1 ZINC000124149317 187124594 /nfs/dbraw/zinc/12/45/94/187124594.db2.gz WIULAYYDAXXNLX-CQSZACIVSA-N 0 3 262.353 2.038 20 30 CEEDHN CN(CCCn1ccnc1)Cc1ccc(C#N)cc1 ZINC000124290956 187130681 /nfs/dbraw/zinc/13/06/81/187130681.db2.gz OUHYGIPEOHPFGU-UHFFFAOYSA-N 0 3 254.337 2.277 20 30 CEEDHN C=CC[C@@H](C)NCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631074467 351950489 /nfs/dbraw/zinc/95/04/89/351950489.db2.gz ALXROIZSSULTNF-SECBINFHSA-N 0 3 288.800 2.042 20 30 CEEDHN C=CCOCCCNCc1cncc(OC)c1C ZINC000631175516 352000437 /nfs/dbraw/zinc/00/04/37/352000437.db2.gz ZSTPLVQBOVXBOR-UHFFFAOYSA-N 0 3 250.342 2.081 20 30 CEEDHN C=CCOc1ccc(CN[C@H]2C[C@@H](CO)C2)cc1OC ZINC000631201845 352015388 /nfs/dbraw/zinc/01/53/88/352015388.db2.gz YCMVVPCPPVDNTR-OKILXGFUSA-N 0 3 277.364 2.121 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](COCC)C1 ZINC000072977393 363188327 /nfs/dbraw/zinc/18/83/27/363188327.db2.gz HSMCIRVCIDMARS-JKSUJKDBSA-N 0 3 294.439 2.324 20 30 CEEDHN C=CCCOCCN[C@@H](COC)Cc1ccccc1 ZINC000271570634 191218717 /nfs/dbraw/zinc/21/87/17/191218717.db2.gz VTHYWBLEPCQGGL-MRXNPFEDSA-N 0 3 263.381 2.426 20 30 CEEDHN N#Cc1ccc(C(=O)N2CCC[C@H](N3CCCC3)C2)s1 ZINC000336455859 213324681 /nfs/dbraw/zinc/32/46/81/213324681.db2.gz RFTXMIDZGTVHOX-LBPRGKRZSA-N 0 3 289.404 2.320 20 30 CEEDHN CC#CCCN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155743288 188224751 /nfs/dbraw/zinc/22/47/51/188224751.db2.gz GOEASEQCZOCKAY-AWEZNQCLSA-N 0 3 268.364 2.322 20 30 CEEDHN C=C(C)CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000156574595 188270370 /nfs/dbraw/zinc/27/03/70/188270370.db2.gz QIAAIHNWFKCZBD-UHFFFAOYSA-N 0 3 287.407 2.480 20 30 CEEDHN CC(C)[C@H](O)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000292524731 198319497 /nfs/dbraw/zinc/31/94/97/198319497.db2.gz FDJUXPUQRUVRIM-QGZVFWFLSA-N 0 3 288.391 2.418 20 30 CEEDHN N#Cc1ccc(CN2CCCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000073396913 363214665 /nfs/dbraw/zinc/21/46/65/363214665.db2.gz GDZIXPBHYWAXDZ-SFHVURJKSA-N 0 3 299.418 2.245 20 30 CEEDHN C[C@H](NC(=O)NC1CCN(C)CC1)c1cccc(C#N)c1 ZINC000073485400 363222054 /nfs/dbraw/zinc/22/20/54/363222054.db2.gz OARHEBBFZUOVCE-LBPRGKRZSA-N 0 3 286.379 2.013 20 30 CEEDHN C=CCNC(=O)CN[C@H]1CC[C@H](c2ccccc2)C1 ZINC000132669066 366162041 /nfs/dbraw/zinc/16/20/41/366162041.db2.gz SROLKNSLCHAJHT-GJZGRUSLSA-N 0 3 258.365 2.215 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCCC1)N1[C@H](C)CC[C@@H]1C ZINC000338003169 366189901 /nfs/dbraw/zinc/18/99/01/366189901.db2.gz HENQWIPITZUJBM-XQQFMLRXSA-N 0 3 263.385 2.200 20 30 CEEDHN CC[C@@H](CNc1nccc(C#N)c1[N+](=O)[O-])N1CCCC1 ZINC000133096150 366194223 /nfs/dbraw/zinc/19/42/23/366194223.db2.gz BXUKHIQZFSTATB-LBPRGKRZSA-N 0 3 289.339 2.148 20 30 CEEDHN COCCN(CCCSCC#N)Cc1ccco1 ZINC000074981611 363429929 /nfs/dbraw/zinc/42/99/29/363429929.db2.gz UMQHDDQEFBLKSG-UHFFFAOYSA-N 0 3 268.382 2.375 20 30 CEEDHN CC(C)(C)C(=O)N1CCCN(CCCSCC#N)CC1 ZINC000074990122 363430991 /nfs/dbraw/zinc/43/09/91/363430991.db2.gz AYEYQBDLCOTYIN-UHFFFAOYSA-N 0 3 297.468 2.214 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC(=O)C2CN(C3CCCCC3)C2)C1 ZINC000333273666 283066547 /nfs/dbraw/zinc/06/65/47/283066547.db2.gz KYGBMLOWQIPPGV-GXTWGEPZSA-N 0 3 275.396 2.059 20 30 CEEDHN N#Cc1cccc(CCN[C@@H]2CCn3ccnc32)c1 ZINC000569901324 299224368 /nfs/dbraw/zinc/22/43/68/299224368.db2.gz ADCBOXGPCDOMPN-CQSZACIVSA-N 0 3 252.321 2.032 20 30 CEEDHN N#Cc1c(F)cccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000266247378 283075473 /nfs/dbraw/zinc/07/54/73/283075473.db2.gz MMJABXHFAVKBGH-GFCCVEGCSA-N 0 3 257.312 2.148 20 30 CEEDHN CS[C@H](CO)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000271875963 191384240 /nfs/dbraw/zinc/38/42/40/191384240.db2.gz OAGCHYUPJOUMES-JTNHKYCSSA-N 0 3 264.394 2.321 20 30 CEEDHN N#Cc1cc(F)ccc1N1CC[C@H](N2CCCC2)C1 ZINC000104246332 283099480 /nfs/dbraw/zinc/09/94/80/283099480.db2.gz QUUDIKVGCIDKER-AWEZNQCLSA-N 0 3 259.328 2.372 20 30 CEEDHN CCCN(CC(C)C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000411195602 283147909 /nfs/dbraw/zinc/14/79/09/283147909.db2.gz AAUBWKQGOQXXEW-HNNXBMFYSA-N 0 3 273.380 2.453 20 30 CEEDHN CN1C[C@@H]2CCCN(Cc3ccc(C#N)s3)[C@@H]2C1 ZINC000335531464 283205843 /nfs/dbraw/zinc/20/58/43/283205843.db2.gz PGHFYPXDWRLKQE-SMDDNHRTSA-N 0 3 261.394 2.146 20 30 CEEDHN N#Cc1cnc(NC2CCN(C3CC3)CC2)c(F)c1 ZINC000413048803 283235406 /nfs/dbraw/zinc/23/54/06/283235406.db2.gz XDUMKEYAMYVMSJ-UHFFFAOYSA-N 0 3 260.316 2.131 20 30 CEEDHN C[C@H](CCCO)CNCc1ccc(C#N)cc1F ZINC000294721897 199151387 /nfs/dbraw/zinc/15/13/87/199151387.db2.gz FNIWUOUJQIHUJA-LLVKDONJSA-N 0 3 250.317 2.196 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000135106570 366396491 /nfs/dbraw/zinc/39/64/91/366396491.db2.gz JTOUSCVGAUAJAE-SLEUVZQESA-N 0 3 250.386 2.330 20 30 CEEDHN N#Cc1ccc(CNCCCn2cccn2)c(F)c1 ZINC000135372871 366432875 /nfs/dbraw/zinc/43/28/75/366432875.db2.gz YKDWDTSBLSMWDY-UHFFFAOYSA-N 0 3 258.300 2.074 20 30 CEEDHN CC(C)NC(=O)CCN[C@@H](C)c1cccc(C#N)c1 ZINC000135725906 366472147 /nfs/dbraw/zinc/47/21/47/366472147.db2.gz IGFLGFDCHYFDHT-LBPRGKRZSA-N 0 3 259.353 2.124 20 30 CEEDHN C=CCN1CCC(NC(=O)CCC(F)(F)F)CC1 ZINC000080079601 363642529 /nfs/dbraw/zinc/64/25/29/363642529.db2.gz BTPZSMXLAIGJSL-UHFFFAOYSA-N 0 3 264.291 2.096 20 30 CEEDHN C[C@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)c1ccc(C#N)cc1 ZINC000417115051 237010904 /nfs/dbraw/zinc/01/09/04/237010904.db2.gz OXNNLGOJPLMNQW-AGIUHOORSA-N 0 3 286.379 2.011 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC[C@H](Oc2ccccc2OC)C1 ZINC000671732658 540494612 /nfs/dbraw/zinc/49/46/12/540494612.db2.gz HXYVBAVYGCUGLU-GJZGRUSLSA-N 0 3 291.391 2.475 20 30 CEEDHN CCN(CC)CCSc1ncc(C#N)cc1[N+](=O)[O-] ZINC000297318915 200146804 /nfs/dbraw/zinc/14/68/04/200146804.db2.gz ZMPUAFBTRUDUFY-UHFFFAOYSA-N 0 3 280.353 2.295 20 30 CEEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)s2)CN1C1CC1 ZINC000151116123 366622000 /nfs/dbraw/zinc/62/20/00/366622000.db2.gz ADSKKDHHWUVYRQ-GHMZBOCLSA-N 0 3 261.394 2.335 20 30 CEEDHN CCN1CCC(NC(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000298114663 200336969 /nfs/dbraw/zinc/33/69/69/200336969.db2.gz VVRXRADXODDAIE-UHFFFAOYSA-N 0 3 290.342 2.303 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)/C=C/c2ccccc2C#N)CN1C1CC1 ZINC000177088430 189027938 /nfs/dbraw/zinc/02/79/38/189027938.db2.gz FRVMDUUPDQXLAS-QTPKMNKOSA-N 0 3 295.386 2.313 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCC2=CCCC2)CC1 ZINC000178779228 189145214 /nfs/dbraw/zinc/14/52/14/189145214.db2.gz JIBZIMOHWOIMQI-UHFFFAOYSA-N 0 3 277.412 2.436 20 30 CEEDHN C#CCOc1ccc(CN2CCCO[C@@H](C)C2)cc1 ZINC000179398706 189191177 /nfs/dbraw/zinc/19/11/77/189191177.db2.gz RPJKVMRMUAGIJZ-AWEZNQCLSA-N 0 3 259.349 2.309 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1CCCc2cc(F)ccc21 ZINC000180036232 189234109 /nfs/dbraw/zinc/23/41/09/189234109.db2.gz KNTNINGCQCFOTG-CQSZACIVSA-N 0 3 262.328 2.095 20 30 CEEDHN COCC#CCN(CCCO)[C@@H]1CCCc2ccccc21 ZINC000677133227 540983416 /nfs/dbraw/zinc/98/34/16/540983416.db2.gz NSMUTZYKLSXFQM-GOSISDBHSA-N 0 3 287.403 2.398 20 30 CEEDHN Cc1cc(CNC[C@@H](CO)c2cccnc2)ccc1C#N ZINC000342278309 216289179 /nfs/dbraw/zinc/28/91/79/216289179.db2.gz CZWBBJIWARFMNX-KRWDZBQOSA-N 0 3 281.359 2.127 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCC1(C#N)CC1 ZINC000579789759 366700924 /nfs/dbraw/zinc/70/09/24/366700924.db2.gz NDWDDLUOMFZPLI-HOCLYGCPSA-N 0 3 269.392 2.400 20 30 CEEDHN CC(C)CC(=O)N1CCC(NC[C@H](C#N)CCC#N)CC1 ZINC000579943606 366725424 /nfs/dbraw/zinc/72/54/24/366725424.db2.gz MELWVMTXLRODRA-AWEZNQCLSA-N 0 3 290.411 2.057 20 30 CEEDHN CC#CCN(Cc1ccccc1)C[C@]1(O)CCO[C@@H]1C ZINC000579914081 366719863 /nfs/dbraw/zinc/71/98/63/366719863.db2.gz NZAJSQSYNCYZNH-NVXWUHKLSA-N 0 3 273.376 2.052 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(CC)C[C@H]1CCOC1 ZINC000677887131 541052861 /nfs/dbraw/zinc/05/28/61/541052861.db2.gz ZMZXTJLJFGUXIP-LSDHHAIUSA-N 0 3 282.428 2.158 20 30 CEEDHN C=CCCCCCNC(=O)NCC1=CCN(C)CC1 ZINC000580343023 366778223 /nfs/dbraw/zinc/77/82/23/366778223.db2.gz GVUBETQUXJROCN-UHFFFAOYSA-N 0 3 265.401 2.294 20 30 CEEDHN CC(C)(NCCCC#N)C(=O)NCC1CCCCC1 ZINC000155312672 366814674 /nfs/dbraw/zinc/81/46/74/366814674.db2.gz JRSMCAFPXUDJBV-UHFFFAOYSA-N 0 3 265.401 2.355 20 30 CEEDHN Cc1cccc(CN(CCN(C)C)c2ccc(C#N)nn2)c1 ZINC000301958171 201278216 /nfs/dbraw/zinc/27/82/16/201278216.db2.gz LKHKTZNBCSFQIK-UHFFFAOYSA-N 0 3 295.390 2.225 20 30 CEEDHN COC[C@@H](C)NCc1cccc(OCCCC#N)c1 ZINC000237166191 370696833 /nfs/dbraw/zinc/69/68/33/370696833.db2.gz FNYQYOPSDNBQDM-CYBMUJFWSA-N 0 3 262.353 2.494 20 30 CEEDHN COC(=O)C[C@H]1CCCCN1CC1(CC#N)CC1 ZINC000088256876 363887041 /nfs/dbraw/zinc/88/70/41/363887041.db2.gz PPVQOUSVPAIRQQ-GFCCVEGCSA-N 0 3 250.342 2.098 20 30 CEEDHN COc1ccc(CN(C)C[C@@H]2CCCO2)cc1C#N ZINC000087833228 363871963 /nfs/dbraw/zinc/87/19/63/363871963.db2.gz DUGJEGRIRVFJCW-AWEZNQCLSA-N 0 3 260.337 2.178 20 30 CEEDHN CC[C@@H](CSC)N(C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000091099168 364069627 /nfs/dbraw/zinc/06/96/27/364069627.db2.gz FXPFXINFVVACDX-STQMWFEESA-N 0 3 285.457 2.068 20 30 CEEDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)CCN1C ZINC000090795225 364066091 /nfs/dbraw/zinc/06/60/91/364066091.db2.gz HZCILNXJUMUTNK-CMPLNLGQSA-N 0 3 274.324 2.361 20 30 CEEDHN N#Cc1ccc(CN2CCN3CCCC[C@@H]3C2)c(F)c1 ZINC000090824840 364067228 /nfs/dbraw/zinc/06/72/28/364067228.db2.gz ZMMZECXACFQVIG-OAHLLOKOSA-N 0 3 273.355 2.367 20 30 CEEDHN C#CCOc1ccc(CN2CCC([C@H](C)O)CC2)cc1 ZINC000092970274 364127235 /nfs/dbraw/zinc/12/72/35/364127235.db2.gz NGYKCOQGNNWECP-AWEZNQCLSA-N 0 3 273.376 2.291 20 30 CEEDHN C=CCOc1ccc(CN(CCO)CCCO)cc1Cl ZINC000093323781 364164810 /nfs/dbraw/zinc/16/48/10/364164810.db2.gz VZGNTNTUQRRVBM-UHFFFAOYSA-N 0 3 299.798 2.082 20 30 CEEDHN N#CC1(CN2CCC(CCCN3CCOCC3)CC2)CC1 ZINC000356463706 370721351 /nfs/dbraw/zinc/72/13/51/370721351.db2.gz WIPYGTDQMXFYDI-UHFFFAOYSA-N 0 3 291.439 2.115 20 30 CEEDHN CO[C@@H]1CCN(Cc2cc(C#N)cs2)C[C@@H]1C ZINC000334737694 364252542 /nfs/dbraw/zinc/25/25/42/364252542.db2.gz FIQSACPTLPAVBT-GXFFZTMASA-N 0 3 250.367 2.477 20 30 CEEDHN C=C(C)CCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000334788574 364267283 /nfs/dbraw/zinc/26/72/83/364267283.db2.gz QYHDVPGBFFDYNJ-HNNXBMFYSA-N 0 3 265.401 2.080 20 30 CEEDHN Cc1cc(CN)cc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000335054508 364407823 /nfs/dbraw/zinc/40/78/23/364407823.db2.gz YXQMJMMHGOHMEL-WCQYABFASA-N 0 3 272.352 2.268 20 30 CEEDHN CC(C)(C#N)C(=O)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000157599909 366845743 /nfs/dbraw/zinc/84/57/43/366845743.db2.gz CUABJGDILLYVBB-OAHLLOKOSA-N 0 3 285.391 2.317 20 30 CEEDHN CC(C)(C)N1CCCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000335229009 364658469 /nfs/dbraw/zinc/65/84/69/364658469.db2.gz QCTYACFXDUXBMT-UHFFFAOYSA-N 0 3 275.352 2.098 20 30 CEEDHN C=CC[C@@H](CO)NCc1cn(C)nc1-c1cccs1 ZINC000680484783 541418403 /nfs/dbraw/zinc/41/84/03/541418403.db2.gz NVCZVMNFAKZVFD-LBPRGKRZSA-N 0 3 277.393 2.175 20 30 CEEDHN C[C@H]1CN(Cc2ccc(C#N)c(F)c2)[C@@H](C)CN1C ZINC000335823401 365031819 /nfs/dbraw/zinc/03/18/19/365031819.db2.gz XBXIOPINOBMZIS-RYUDHWBXSA-N 0 3 261.344 2.222 20 30 CEEDHN C=CC[C@H](C)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000117039961 365089106 /nfs/dbraw/zinc/08/91/06/365089106.db2.gz KWHHLLPIQKUUSK-UONOGXRCSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CCNC(=O)CNC[C@]1(C)C[C@H]1c1ccccc1 ZINC000638847349 370794820 /nfs/dbraw/zinc/79/48/20/370794820.db2.gz PTTQWAXQOPRFHI-HOCLYGCPSA-N 0 3 258.365 2.072 20 30 CEEDHN CN(CCC#N)C(=O)CCN1CC[C@@H]1Cc1ccccc1 ZINC000357013125 370801968 /nfs/dbraw/zinc/80/19/68/370801968.db2.gz ZVPLPOWNKBPFQS-MRXNPFEDSA-N 0 3 285.391 2.066 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000638875477 370813373 /nfs/dbraw/zinc/81/33/73/370813373.db2.gz VADQWCCEHUBDGK-STQMWFEESA-N 0 3 252.402 2.483 20 30 CEEDHN C=C[C@@H](C)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000119355808 365261177 /nfs/dbraw/zinc/26/11/77/365261177.db2.gz ICRMYIJVBLSZQJ-VXGBXAGGSA-N 0 3 282.409 2.162 20 30 CEEDHN C=CCN(C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000119401536 365268504 /nfs/dbraw/zinc/26/85/04/365268504.db2.gz ZFRNYKRFKGWYMZ-GOEBONIOSA-N 0 3 287.407 2.477 20 30 CEEDHN CN(C)CCc1ccccc1NC(=O)c1cc(C#N)c[nH]1 ZINC000275862901 193149555 /nfs/dbraw/zinc/14/95/55/193149555.db2.gz MLBYTTNYFSLRMR-UHFFFAOYSA-N 0 3 282.347 2.243 20 30 CEEDHN CC[C@H](Cn1cncn1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000340462381 366893752 /nfs/dbraw/zinc/89/37/52/366893752.db2.gz MMGMWQSVWOZUTI-SWLSCSKDSA-N 0 3 269.352 2.279 20 30 CEEDHN C[C@H](CCC#N)N1CCC(N2CCCCC2=O)CC1 ZINC000582423927 366910605 /nfs/dbraw/zinc/91/06/05/366910605.db2.gz PXHOURFKJCRLJR-CYBMUJFWSA-N 0 3 263.385 2.156 20 30 CEEDHN C=CCN(CCn1ccnc1)Cc1cccc(C#N)c1 ZINC000159782359 366947544 /nfs/dbraw/zinc/94/75/44/366947544.db2.gz MRVRTKKSOOLDBJ-UHFFFAOYSA-N 0 3 266.348 2.443 20 30 CEEDHN CN(Cc1ccc(F)c(C#N)c1)C[C@H]1CCC[C@@H]1O ZINC000159825325 366951401 /nfs/dbraw/zinc/95/14/01/366951401.db2.gz GBGOHSGKFOEAQO-DOMZBBRYSA-N 0 3 262.328 2.290 20 30 CEEDHN C=CCCOCC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000681145392 541512989 /nfs/dbraw/zinc/51/29/89/541512989.db2.gz FWWCHIVBGMIBNY-RHSMWYFYSA-N 0 3 290.407 2.387 20 30 CEEDHN C=CCCCCNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000681160897 541514545 /nfs/dbraw/zinc/51/45/45/541514545.db2.gz MQDKVRQMOFWGBF-CQSZACIVSA-N 0 3 265.401 2.126 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCCCO1)C(C)C ZINC000161191792 367066731 /nfs/dbraw/zinc/06/67/31/367066731.db2.gz OEDQTEQSHZWQCG-JKSUJKDBSA-N 0 3 294.439 2.370 20 30 CEEDHN C[C@@H](NC(=O)CCc1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000357934745 370841847 /nfs/dbraw/zinc/84/18/47/370841847.db2.gz HUSGDZMHTXXQNE-CQSZACIVSA-N 0 3 297.402 2.257 20 30 CEEDHN CCC[C@H](C)N(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000357532199 370821648 /nfs/dbraw/zinc/82/16/48/370821648.db2.gz PLALLZIUNNQPEM-GXTWGEPZSA-N 0 3 253.390 2.161 20 30 CEEDHN CC(C#N)C(=O)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC000584419810 367155597 /nfs/dbraw/zinc/15/55/97/367155597.db2.gz QSMSWOGYXCAGGN-JTQLQIEISA-N 0 3 293.754 2.264 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)NCC(C)(C)CC#N ZINC000590931376 367199606 /nfs/dbraw/zinc/19/96/06/367199606.db2.gz PHGQAQVBYYIDPP-ZDUSSCGKSA-N 0 3 280.416 2.100 20 30 CEEDHN C=C(C)COCCNC[C@H](O)COc1cc(C)ccc1C ZINC000163855912 367268215 /nfs/dbraw/zinc/26/82/15/367268215.db2.gz ACGLAVQJFLXJOR-INIZCTEOSA-N 0 3 293.407 2.225 20 30 CEEDHN C=CC[C@H](CO)CNCc1cccc2c1OCCCO2 ZINC000341318404 367282447 /nfs/dbraw/zinc/28/24/47/367282447.db2.gz YAFBIMSXKVEVCY-ZDUSSCGKSA-N 0 3 277.364 2.122 20 30 CEEDHN C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000631468328 367337985 /nfs/dbraw/zinc/33/79/85/367337985.db2.gz JVSKJBBZMAQGJA-QWHCGFSZSA-N 0 3 250.386 2.284 20 30 CEEDHN N#Cc1cccc(CCNCc2ccn(C(F)F)n2)c1 ZINC000341470911 367348197 /nfs/dbraw/zinc/34/81/97/367348197.db2.gz BWWVFUWSQUMJDZ-UHFFFAOYSA-N 0 3 276.290 2.482 20 30 CEEDHN CCC[C@H]1CN(CCCC#N)CCN1CCCC#N ZINC000164377787 367285571 /nfs/dbraw/zinc/28/55/71/367285571.db2.gz KFOQGBNCFMBRCB-HNNXBMFYSA-N 0 3 262.401 2.380 20 30 CEEDHN CC#CCCCC(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000342296170 367399975 /nfs/dbraw/zinc/39/99/75/367399975.db2.gz VUGUDFPECFLSNO-UHFFFAOYSA-N 0 3 289.379 2.154 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000342396095 367404772 /nfs/dbraw/zinc/40/47/72/367404772.db2.gz CYZDJCRFEBLHBZ-ZIAGYGMSSA-N 0 3 267.417 2.324 20 30 CEEDHN CCN1C[C@H](C)N(c2cc(C)nc(C#N)c2)C[C@H]1C ZINC000342474837 367411292 /nfs/dbraw/zinc/41/12/92/367411292.db2.gz NCCAJJYCNGBLOR-OLZOCXBDSA-N 0 3 258.369 2.181 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)CC[C@@H]1CCCO1 ZINC000342603373 367445879 /nfs/dbraw/zinc/44/58/79/367445879.db2.gz MJWSODAXIDXQDO-GJZGRUSLSA-N 0 3 280.412 2.076 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000156710407 260804843 /nfs/dbraw/zinc/80/48/43/260804843.db2.gz DIBQJGVOEHDPPZ-ZIAGYGMSSA-N 0 3 283.412 2.367 20 30 CEEDHN CN(CCN(C)C1CC1)c1nccc(C#N)c1Cl ZINC000342880557 367582804 /nfs/dbraw/zinc/58/28/04/367582804.db2.gz HPTWVAYFQFRNNC-UHFFFAOYSA-N 0 3 264.760 2.137 20 30 CEEDHN C=CCN1CCC(NC(=O)c2sc(C)nc2C)CC1 ZINC000171720642 367602556 /nfs/dbraw/zinc/60/25/56/367602556.db2.gz CPXJFLQMHTZBNF-UHFFFAOYSA-N 0 3 279.409 2.140 20 30 CEEDHN C#CCCOc1ccc(CN[C@@H]2CCCOC2)cc1 ZINC000172120096 367677311 /nfs/dbraw/zinc/67/73/11/367677311.db2.gz UKHGAKOVKOJZOH-OAHLLOKOSA-N 0 3 259.349 2.357 20 30 CEEDHN Cc1ccc(C#N)c(N[C@@H]2CN(C(C)C)C[C@H]2C)n1 ZINC000245720649 370863910 /nfs/dbraw/zinc/86/39/10/370863910.db2.gz HLNYORJHYCVPSM-BXUZGUMPSA-N 0 3 258.369 2.402 20 30 CEEDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1ccc(C#N)o1 ZINC000343336315 367759348 /nfs/dbraw/zinc/75/93/48/367759348.db2.gz CMBSMTHSGCHMHT-ZDUSSCGKSA-N 0 3 289.379 2.392 20 30 CEEDHN N#CCc1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000343434979 367812916 /nfs/dbraw/zinc/81/29/16/367812916.db2.gz XAIKPTLLKNZDNU-QGZVFWFLSA-N 0 3 295.390 2.256 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343438418 367816351 /nfs/dbraw/zinc/81/63/51/367816351.db2.gz AHBDNLXDFLMZJL-OCCSQVGLSA-N 0 3 250.386 2.354 20 30 CEEDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1ccc(C#N)o1 ZINC000343487427 367841624 /nfs/dbraw/zinc/84/16/24/367841624.db2.gz SBXOKCCSAPFJNU-GFCCVEGCSA-N 0 3 275.352 2.001 20 30 CEEDHN COCCO[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000343774703 367996407 /nfs/dbraw/zinc/99/64/07/367996407.db2.gz VQBAICDMPVQYJS-KRWDZBQOSA-N 0 3 288.391 2.380 20 30 CEEDHN N#Cc1ccc(CNCCc2ccc3c(c2)OCO3)o1 ZINC000174247545 368001895 /nfs/dbraw/zinc/00/18/95/368001895.db2.gz XRUMZQIFWFCUFS-UHFFFAOYSA-N 0 3 270.288 2.212 20 30 CEEDHN CN(C)CCOc1ccccc1CNCc1ccc(C#N)o1 ZINC000174323703 368011335 /nfs/dbraw/zinc/01/13/35/368011335.db2.gz MOIQBSZGRRYAII-UHFFFAOYSA-N 0 3 299.374 2.381 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC(C)(F)CC2)CC1 ZINC000633043045 368032618 /nfs/dbraw/zinc/03/26/18/368032618.db2.gz XZTDIHZLICJPJN-UHFFFAOYSA-N 0 3 283.391 2.170 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](C(C)(C)C)C1 ZINC000344205067 368115386 /nfs/dbraw/zinc/11/53/86/368115386.db2.gz HFYCGPGZDMDVBK-ZIAGYGMSSA-N 0 3 279.428 2.363 20 30 CEEDHN C=CCCN(C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000344263193 368116854 /nfs/dbraw/zinc/11/68/54/368116854.db2.gz LONODVCTSMJDSW-UHFFFAOYSA-N 0 3 280.412 2.056 20 30 CEEDHN CC(C#N)C(=O)N1CCC(=O)C[C@H]1c1ccccc1 ZINC000633166322 368088396 /nfs/dbraw/zinc/08/83/96/368088396.db2.gz VQPDFIXCCYKZGQ-FZMZJTMJSA-N 0 3 256.305 2.079 20 30 CEEDHN C=CCCN1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000175440829 368137383 /nfs/dbraw/zinc/13/73/83/368137383.db2.gz XRSZWIOAMFOLTA-UHFFFAOYSA-N 0 3 290.407 2.398 20 30 CEEDHN CCOC[C@@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000176326212 368225256 /nfs/dbraw/zinc/22/52/56/368225256.db2.gz GPAWTWYRQSJPMZ-CQSZACIVSA-N 0 3 274.364 2.295 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)NC[C@H]1CCCN1CCOC ZINC000180805718 368396583 /nfs/dbraw/zinc/39/65/83/368396583.db2.gz MZQYWZWVABATAC-LSDHHAIUSA-N 0 3 297.443 2.141 20 30 CEEDHN N#CCNC(=O)CN[C@H](c1cccc(F)c1)C1CCCC1 ZINC000181015177 368413525 /nfs/dbraw/zinc/41/35/25/368413525.db2.gz AOBGRPIOPQHJDV-INIZCTEOSA-N 0 3 289.354 2.286 20 30 CEEDHN Cc1ccccc1[C@H](C)NCCNC(=O)C1N=CC=CC1=O ZINC000180879879 368400799 /nfs/dbraw/zinc/40/07/99/368400799.db2.gz XABWZRJWMDWRCJ-WPCFGXOUSA-N 0 3 299.374 2.172 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000682360271 541652945 /nfs/dbraw/zinc/65/29/45/541652945.db2.gz SZDLCHMPADFHHS-ZFWWWQNUSA-N 0 3 250.386 2.189 20 30 CEEDHN CC(C)Oc1ccc(NC(=O)NCCN(C)C)cc1C#N ZINC000181633853 368476979 /nfs/dbraw/zinc/47/69/79/368476979.db2.gz WCQHMODJYBFOHM-UHFFFAOYSA-N 0 3 290.367 2.029 20 30 CEEDHN C[C@H](CCS(C)(=O)=O)N[C@H](C)c1cccc(C#N)c1 ZINC000181908565 368504931 /nfs/dbraw/zinc/50/49/31/368504931.db2.gz RGSYDSHIPGCECR-VXGBXAGGSA-N 0 3 280.393 2.032 20 30 CEEDHN CC[C@@H](NCCC(=O)N(C)CCC#N)c1c(C)noc1C ZINC000182469023 368563351 /nfs/dbraw/zinc/56/33/51/368563351.db2.gz RRRVOBWKMGSPKP-CYBMUJFWSA-N 0 3 292.383 2.094 20 30 CEEDHN CCN1C[C@H](C)N(Cc2cccc(C#N)c2)C[C@@H]1C ZINC000346176002 368577945 /nfs/dbraw/zinc/57/79/45/368577945.db2.gz VSPDLQAIOACAGN-KBPBESRZSA-N 0 3 257.381 2.473 20 30 CEEDHN CC(C)COC[C@@H](O)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346196754 368586909 /nfs/dbraw/zinc/58/69/09/368586909.db2.gz QOCIUECQKMNJBP-DOMZBBRYSA-N 0 3 294.370 2.381 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2cc(C#N)ccc2OC)C[C@@H]1C ZINC000346224642 368599456 /nfs/dbraw/zinc/59/94/56/368599456.db2.gz YXCFLVWUOFQDSF-UONOGXRCSA-N 0 3 287.407 2.481 20 30 CEEDHN C[C@H](C#N)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000346448518 368679983 /nfs/dbraw/zinc/67/99/83/368679983.db2.gz TXBBYLYYRBBTDA-MBNYWOFBSA-N 0 3 291.420 2.407 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](C)[C@H](C)C1 ZINC000246064753 370904781 /nfs/dbraw/zinc/90/47/81/370904781.db2.gz YSPRQRVVTIUDLM-UONOGXRCSA-N 0 3 250.386 2.165 20 30 CEEDHN C[C@H](NC(=O)C(C#N)c1nc2ccccc2n1C)C1CC1 ZINC000358098239 370905515 /nfs/dbraw/zinc/90/55/15/370905515.db2.gz SAXJVOWCKGYNKB-CMPLNLGQSA-N 0 3 282.347 2.095 20 30 CEEDHN C[C@H](CO)N1CCCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000346604349 368731846 /nfs/dbraw/zinc/73/18/46/368731846.db2.gz APDXOPAZFOZNBV-CABCVRRESA-N 0 3 287.407 2.008 20 30 CEEDHN CC(C)N(Cc1cccc(C#N)c1)C[C@@H]1CCC(=O)N1 ZINC000346609379 368733787 /nfs/dbraw/zinc/73/37/87/368733787.db2.gz UWWNNIBYPDUFLQ-HNNXBMFYSA-N 0 3 271.364 2.047 20 30 CEEDHN C=CCN(C)Cc1ccc(OCCN2CCOCC2)cc1 ZINC000639068531 370943824 /nfs/dbraw/zinc/94/38/24/370943824.db2.gz XBWRCCYQEAAWPR-UHFFFAOYSA-N 0 3 290.407 2.015 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2c(C)noc2CC)CC1 ZINC000185507408 368816369 /nfs/dbraw/zinc/81/63/69/368816369.db2.gz ZBCNBSDQBLNUSQ-UHFFFAOYSA-N 0 3 291.395 2.316 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@]1(C)CCOC1)C(C)C ZINC000347848733 368821377 /nfs/dbraw/zinc/82/13/77/368821377.db2.gz MPOIQRSOCKEYEJ-NVXWUHKLSA-N 0 3 294.439 2.228 20 30 CEEDHN C[C@@H](C#N)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000347897849 368822747 /nfs/dbraw/zinc/82/27/47/368822747.db2.gz KBUSNSOSCOOPPR-HOCLYGCPSA-N 0 3 285.391 2.269 20 30 CEEDHN C#CCOc1ccc(CN[C@H](CO)C/C=C/C)cc1 ZINC000185810329 368865373 /nfs/dbraw/zinc/86/53/73/368865373.db2.gz DFWRIMQTVSPNPS-UJAVWCLSSA-N 0 3 259.349 2.115 20 30 CEEDHN C=CCOCCCN[C@H](CO)c1cccc(F)c1 ZINC000348039321 368868729 /nfs/dbraw/zinc/86/87/29/368868729.db2.gz UOFMYDBMCJCOLI-CQSZACIVSA-N 0 3 253.317 2.041 20 30 CEEDHN C=CCOCCCN[C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000348044609 368871410 /nfs/dbraw/zinc/87/14/10/368871410.db2.gz HKEUFCQIIWZLEC-INIZCTEOSA-N 0 3 290.407 2.388 20 30 CEEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)c1cccc(C#N)c1 ZINC000348154263 368923886 /nfs/dbraw/zinc/92/38/86/368923886.db2.gz AEHFOXVASSVVGU-GLQYFDAESA-N 0 3 271.364 2.124 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000186281852 368950069 /nfs/dbraw/zinc/95/00/69/368950069.db2.gz FTFWUBAKUYKRTA-NVXWUHKLSA-N 0 3 299.418 2.273 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2C=CCCC2)cc1 ZINC000348327161 369004983 /nfs/dbraw/zinc/00/49/83/369004983.db2.gz WKZVDFCSNPLKKE-HOTGVXAUSA-N 0 3 279.343 2.465 20 30 CEEDHN CC1(CO)CCN(CCOc2cccc(C#N)c2)CC1 ZINC000186977835 369079428 /nfs/dbraw/zinc/07/94/28/369079428.db2.gz XFKYZZCJOVCITF-UHFFFAOYSA-N 0 3 274.364 2.031 20 30 CEEDHN Cc1cc(CNCC[C@@H](O)C(F)(F)F)ccc1C#N ZINC000349290350 369288997 /nfs/dbraw/zinc/28/89/97/369288997.db2.gz XDZWTGMFDJHTTG-GFCCVEGCSA-N 0 3 272.270 2.270 20 30 CEEDHN COc1ccc(CN2CCN3CCCC[C@H]3C2)cc1C#N ZINC000246390292 370955160 /nfs/dbraw/zinc/95/51/60/370955160.db2.gz CDKLHEWTHKDUBJ-INIZCTEOSA-N 0 3 285.391 2.237 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)c1cccc(F)c1C#N ZINC000189411795 369512744 /nfs/dbraw/zinc/51/27/44/369512744.db2.gz ISDHTQOVYPLZJU-LBPRGKRZSA-N 0 3 289.354 2.302 20 30 CEEDHN CC(C)C[C@H](CNC(=O)c1cccc(F)c1C#N)N(C)C ZINC000189481267 369524425 /nfs/dbraw/zinc/52/44/25/369524425.db2.gz BXZJRXYECVBTPE-GFCCVEGCSA-N 0 3 291.370 2.403 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cccc(F)c1C#N ZINC000189623160 369549248 /nfs/dbraw/zinc/54/92/48/369549248.db2.gz QKFAXGXHNUEJFH-LBPRGKRZSA-N 0 3 289.354 2.111 20 30 CEEDHN C[C@H](NCC#CCN[C@@H](C)c1cccnc1)c1cccnc1 ZINC000276344072 193294312 /nfs/dbraw/zinc/29/43/12/193294312.db2.gz URKAAIFZABEQOS-HOTGVXAUSA-N 0 3 294.402 2.481 20 30 CEEDHN C=CCN(CC=C)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000351589434 369642622 /nfs/dbraw/zinc/64/26/22/369642622.db2.gz YAAXSOJGSUHUOH-UHFFFAOYSA-N 0 3 294.420 2.111 20 30 CEEDHN C=CCCCCNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000351614391 369644111 /nfs/dbraw/zinc/64/41/11/369644111.db2.gz GVPMMBBFXYTMCM-CHWSQXEVSA-N 0 3 265.401 2.267 20 30 CEEDHN C=CCN(CCOC)C[C@H](O)COc1cc(C)ccc1C ZINC000191084185 369675874 /nfs/dbraw/zinc/67/58/74/369675874.db2.gz FSJPMLOTYWBLJZ-INIZCTEOSA-N 0 3 293.407 2.178 20 30 CEEDHN C=CCc1cc(CN2CC[C@@H](C)[C@H]2CO)cc(OC)c1O ZINC000191188017 369689588 /nfs/dbraw/zinc/68/95/88/369689588.db2.gz PEOKVTVNVMJDRF-IUODEOHRSA-N 0 3 291.391 2.332 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC=CC1)C(C)C ZINC000636573878 369691446 /nfs/dbraw/zinc/69/14/46/369691446.db2.gz LBMDOGLVUTVJNS-HNNXBMFYSA-N 0 3 277.412 2.266 20 30 CEEDHN C=CCCN(C)[C@@H](C)C(=O)NCCc1cccs1 ZINC000276527659 193368281 /nfs/dbraw/zinc/36/82/81/193368281.db2.gz ZLUHOBNWSBKEDN-LBPRGKRZSA-N 0 3 266.410 2.303 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@]23C[C@@H]2CCCC3)CC1 ZINC000636741255 369725661 /nfs/dbraw/zinc/72/56/61/369725661.db2.gz TYPPNFAPQXKOPC-BBRMVZONSA-N 0 3 277.412 2.269 20 30 CEEDHN N#Cc1csc(CN[C@H]2CCO[C@@]3(CCSC3)C2)n1 ZINC000352793535 369879837 /nfs/dbraw/zinc/87/98/37/369879837.db2.gz FXEVMYXOSWZDKY-GWCFXTLKSA-N 0 3 295.433 2.159 20 30 CEEDHN C[C@H](CNCc1nc(C#N)cs1)N1CCC[C@@H](C)C1 ZINC000352838589 369904660 /nfs/dbraw/zinc/90/46/60/369904660.db2.gz FVUHVGJZYUCGPN-VXGBXAGGSA-N 0 3 278.425 2.225 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000637473656 369953408 /nfs/dbraw/zinc/95/34/08/369953408.db2.gz RVAJRYKGSNFORV-HNNXBMFYSA-N 0 3 277.412 2.387 20 30 CEEDHN C=CCCCCCN1CCN(c2cnccn2)CC1 ZINC000193317789 369925897 /nfs/dbraw/zinc/92/58/97/369925897.db2.gz UPDOYRJUXUOFMI-UHFFFAOYSA-N 0 3 260.385 2.345 20 30 CEEDHN CC#CCN(C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000637720121 370046349 /nfs/dbraw/zinc/04/63/49/370046349.db2.gz TYMHDXMOKSFWMI-KRWDZBQOSA-N 0 3 299.418 2.234 20 30 CEEDHN CCN(CCNc1snc(C)c1C#N)C1CC1 ZINC000219048834 370217972 /nfs/dbraw/zinc/21/79/72/370217972.db2.gz ALWRWASYETVAAT-UHFFFAOYSA-N 0 3 250.371 2.219 20 30 CEEDHN CS[C@H](CO)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000224670438 370281762 /nfs/dbraw/zinc/28/17/62/370281762.db2.gz OAGCHYUPJOUMES-MISXGVKJSA-N 0 3 264.394 2.321 20 30 CEEDHN C=CCSCCNCc1cc(C(=O)OC)c(C)o1 ZINC000224799009 370282303 /nfs/dbraw/zinc/28/23/03/370282303.db2.gz IQAPQOAWUCWLIO-UHFFFAOYSA-N 0 3 269.366 2.383 20 30 CEEDHN C[C@@H](O)C[C@@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000228733073 370413638 /nfs/dbraw/zinc/41/36/38/370413638.db2.gz OSVRJRMGQUWGQC-RISCZKNCSA-N 0 3 262.328 2.433 20 30 CEEDHN Cn1cc(CNCCOC2CCCCC2)cc1C#N ZINC000232315267 370504718 /nfs/dbraw/zinc/50/47/18/370504718.db2.gz IHQLRTNBSNYJAX-UHFFFAOYSA-N 0 3 261.369 2.336 20 30 CEEDHN COCC1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000234586122 370538090 /nfs/dbraw/zinc/53/80/90/370538090.db2.gz NQPOFIRZAOBLBS-UHFFFAOYSA-N 0 3 274.364 2.425 20 30 CEEDHN C=CCOc1cccc(NC(=O)[C@H]2CCCCN2)c1 ZINC000236680937 370607655 /nfs/dbraw/zinc/60/76/55/370607655.db2.gz YIPOXMRLOXNVDI-CQSZACIVSA-N 0 3 260.337 2.332 20 30 CEEDHN C=CCNC(=O)CN(CCC)[C@H]1C[C@@H](OCC)C1(C)C ZINC000246993727 371042223 /nfs/dbraw/zinc/04/22/23/371042223.db2.gz MSUSHACONRFFIP-UONOGXRCSA-N 0 3 282.428 2.204 20 30 CEEDHN CC[C@@H]1CCCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000247178624 371073791 /nfs/dbraw/zinc/07/37/91/371073791.db2.gz ROZZHGKUPATLKO-ZIAGYGMSSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]2CCC[C@H]21 ZINC000247699339 371136952 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CEEDHN CC[C@H]1[C@H](CO)CCN1Cc1cccc(C#N)c1F ZINC000386329462 375259067 /nfs/dbraw/zinc/25/90/67/375259067.db2.gz VEXSIFHMKMSCAO-KBPBESRZSA-N 0 3 262.328 2.290 20 30 CEEDHN C[C@H]1CN(CCOCCC#N)CCN1Cc1ccccc1 ZINC000396389322 375334530 /nfs/dbraw/zinc/33/45/30/375334530.db2.gz QHDUHFGUHLLQTG-INIZCTEOSA-N 0 3 287.407 2.123 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ncc(Cl)n1C ZINC000281448950 375379253 /nfs/dbraw/zinc/37/92/53/375379253.db2.gz ACETVIOLGZLNFW-ZWNOBZJWSA-N 0 3 269.776 2.144 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCCCC[C@@H]1C[C@H](C)O ZINC000286210815 375873609 /nfs/dbraw/zinc/87/36/09/375873609.db2.gz YHWLJZVNAPRHLX-JKSUJKDBSA-N 0 3 294.439 2.203 20 30 CEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc(C#N)cs1 ZINC000287007254 376128193 /nfs/dbraw/zinc/12/81/93/376128193.db2.gz HRBSFUAXQMZBFC-YPMHNXCESA-N 0 3 289.404 2.319 20 30 CEEDHN C#C[C@@H](NCc1cc(OC)c2c(c1)OCCO2)C(C)C ZINC000289397513 376392695 /nfs/dbraw/zinc/39/26/95/376392695.db2.gz OFAYBCINPFXSLF-CYBMUJFWSA-N 0 3 275.348 2.214 20 30 CEEDHN N#Cc1nccnc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000263739725 190075641 /nfs/dbraw/zinc/07/56/41/190075641.db2.gz DFUQOXHDLDBAHM-AWEZNQCLSA-N 0 3 279.347 2.035 20 30 CEEDHN COCCCCN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000419386800 376449937 /nfs/dbraw/zinc/44/99/37/376449937.db2.gz IUSJNVSIYUZGDQ-AWEZNQCLSA-N 0 3 295.427 2.076 20 30 CEEDHN N#CCCCOc1cccc(CN2CCC[C@H](O)C2)c1 ZINC000305739006 376466388 /nfs/dbraw/zinc/46/63/88/376466388.db2.gz WXWQCOIYBNLNNW-HNNXBMFYSA-N 0 3 274.364 2.326 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccc(Br)cc1 ZINC000309300827 376590291 /nfs/dbraw/zinc/59/02/91/376590291.db2.gz YGTMPRJMYMDXQQ-SECBINFHSA-N 0 3 281.153 2.267 20 30 CEEDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(C#N)cc1F ZINC000334322487 206369105 /nfs/dbraw/zinc/36/91/05/206369105.db2.gz YBTNPDDBXYJTPN-NWDGAFQWSA-N 0 3 261.344 2.222 20 30 CEEDHN N#Cc1ccncc1N1CCN(C[C@H]2CC=CCC2)CC1 ZINC000559308858 376674764 /nfs/dbraw/zinc/67/47/64/376674764.db2.gz QFQBQXOLGFSCGH-HNNXBMFYSA-N 0 3 282.391 2.432 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1C[C@@H](O)C1 ZINC000560346625 376735895 /nfs/dbraw/zinc/73/58/95/376735895.db2.gz JYWOBLQNQOXPEB-IJEWVQPXSA-N 0 3 256.349 2.439 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)C(C)(C)CC)CC1 ZINC000684907505 542087840 /nfs/dbraw/zinc/08/78/40/542087840.db2.gz LGDODEYIBVPXNV-UHFFFAOYSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCN1CCC(NCc2nn(C)c(C)c2Cl)CC1 ZINC000421322654 376793712 /nfs/dbraw/zinc/79/37/12/376793712.db2.gz GUGISKDFLQTDEH-UHFFFAOYSA-N 0 3 282.819 2.122 20 30 CEEDHN COC1([C@@H](C)NCc2cc(C#N)cs2)CCOCC1 ZINC000421398567 376811548 /nfs/dbraw/zinc/81/15/48/376811548.db2.gz GLAYZOZTPPAAHK-LLVKDONJSA-N 0 3 280.393 2.293 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC(Oc3cnccn3)CC2)C1 ZINC000328807580 376900845 /nfs/dbraw/zinc/90/08/45/376900845.db2.gz DNYGRRLMMKEQLS-OLZOCXBDSA-N 0 3 272.352 2.012 20 30 CEEDHN COC[C@H](NC(=O)C1CCN(C2CC2)CC1)[C@@H]1CCCO1 ZINC000328709084 376883374 /nfs/dbraw/zinc/88/33/74/376883374.db2.gz BGNJCOJNTBXXLQ-GJZGRUSLSA-N 0 3 296.411 2.011 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](c3nc(C4CC4)no3)C2)C1 ZINC000328724252 376884534 /nfs/dbraw/zinc/88/45/34/376884534.db2.gz AVTOFZBBOQFQEW-KGYLQXTDSA-N 0 3 272.352 2.429 20 30 CEEDHN Cc1cncc(CNC(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000329351029 376951543 /nfs/dbraw/zinc/95/15/43/376951543.db2.gz TZODKQFXDKELMD-CYBMUJFWSA-N 0 3 288.395 2.044 20 30 CEEDHN CN(C)[C@H]1CCOc2c(Nc3cncc(C#N)n3)cccc21 ZINC000562928500 377024041 /nfs/dbraw/zinc/02/40/41/377024041.db2.gz MQTBPHOAGMVPCI-AWEZNQCLSA-N 0 3 295.346 2.477 20 30 CEEDHN N#Cc1ncccc1NC[C@H]1CCCCN1C1CC1 ZINC000291010920 377030956 /nfs/dbraw/zinc/03/09/56/377030956.db2.gz WFPAOWSZBWWOED-CYBMUJFWSA-N 0 3 256.353 2.382 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000329687428 376994314 /nfs/dbraw/zinc/99/43/14/376994314.db2.gz FXRPQCAPHFSBIU-UTUOFQBUSA-N 0 3 276.384 2.349 20 30 CEEDHN N#Cc1ccc2c(c1)N(C(=O)C13CCCN1CCC3)CC2 ZINC000291150868 377092655 /nfs/dbraw/zinc/09/26/55/377092655.db2.gz XKIXUGVAFFSOLT-UHFFFAOYSA-N 0 3 281.359 2.076 20 30 CEEDHN C#Cc1cccc(N(C)C(=O)CC2CCN(C)CC2)c1 ZINC000291452295 377194440 /nfs/dbraw/zinc/19/44/40/377194440.db2.gz HEJVOXOPINTGKZ-UHFFFAOYSA-N 0 3 270.376 2.363 20 30 CEEDHN C#CCN1CCC(C(=O)NCCc2ccc(C=C)cc2)CC1 ZINC000291502773 377196903 /nfs/dbraw/zinc/19/69/03/377196903.db2.gz PUDLKLAHDRVQTK-UHFFFAOYSA-N 0 3 296.414 2.334 20 30 CEEDHN C#CCN(C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000291286114 377157176 /nfs/dbraw/zinc/15/71/76/377157176.db2.gz NZHWJMDHVZFAIC-KRWDZBQOSA-N 0 3 299.418 2.407 20 30 CEEDHN C#CCSCCN[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000292065822 377223971 /nfs/dbraw/zinc/22/39/71/377223971.db2.gz HAZDABAPHKYNLP-CYBMUJFWSA-N 0 3 278.425 2.382 20 30 CEEDHN C#CCSCCN[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000292065822 377223978 /nfs/dbraw/zinc/22/39/78/377223978.db2.gz HAZDABAPHKYNLP-CYBMUJFWSA-N 0 3 278.425 2.382 20 30 CEEDHN C#Cc1ccccc1CC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000292629765 377258041 /nfs/dbraw/zinc/25/80/41/377258041.db2.gz VEZOYUFVBZJFSP-ZWKOTPCHSA-N 0 3 296.414 2.153 20 30 CEEDHN CC(C)C[C@H](CNC(=O)C(C)C#N)C(=O)OC(C)(C)C ZINC000424958945 377311536 /nfs/dbraw/zinc/31/15/36/377311536.db2.gz XSGQIVQGSAXLQC-VXGBXAGGSA-N 0 3 282.384 2.266 20 30 CEEDHN COc1ccc(CNC[C@H](OC)C2CC2)cc1C#N ZINC000292891186 377335673 /nfs/dbraw/zinc/33/56/73/377335673.db2.gz CYWWRQXSPKWDQL-HNNXBMFYSA-N 0 3 260.337 2.081 20 30 CEEDHN CN(CCOCCC#N)CCOCc1ccccc1 ZINC000292774471 377276319 /nfs/dbraw/zinc/27/63/19/377276319.db2.gz JZVYSAKAIWYPOP-UHFFFAOYSA-N 0 3 262.353 2.065 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)CCN1CCO[C@H](C)C1 ZINC000425529882 377365447 /nfs/dbraw/zinc/36/54/47/377365447.db2.gz CWSMJPJPTJPLHJ-HUUCEWRRSA-N 0 3 287.407 2.272 20 30 CEEDHN C#CCOc1ccc(CN[C@@H](C)Cn2cccn2)cc1 ZINC000264999435 190150916 /nfs/dbraw/zinc/15/09/16/190150916.db2.gz ZKIJJCZRTKCLBY-AWEZNQCLSA-N 0 3 269.348 2.073 20 30 CEEDHN CC(C)c1ccccc1OC[C@@H](O)CNCCCC#N ZINC000564560733 377405735 /nfs/dbraw/zinc/40/57/35/377405735.db2.gz DVBGRZAIWWKVGF-AWEZNQCLSA-N 0 3 276.380 2.443 20 30 CEEDHN C=CCOc1ccccc1CN1C[C@H](O)C2(CC2)C1 ZINC000428375608 377490801 /nfs/dbraw/zinc/49/08/01/377490801.db2.gz PDXMALNBZJFINV-HNNXBMFYSA-N 0 3 259.349 2.208 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1ccc(C(=O)OC)o1 ZINC000429708348 377520117 /nfs/dbraw/zinc/52/01/17/377520117.db2.gz LXITVGGUWPSPIG-UHFFFAOYSA-N 0 3 280.368 2.006 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](CSC)C1 ZINC000429299801 377513941 /nfs/dbraw/zinc/51/39/41/377513941.db2.gz YTLWXIGTNUPAGB-CQSZACIVSA-N 0 3 284.469 2.486 20 30 CEEDHN Cc1nn(C)c2ncc(CNCC3(CC#N)CC3)cc12 ZINC000430059412 377526345 /nfs/dbraw/zinc/52/63/45/377526345.db2.gz OXJZVLCLFKMZIL-UHFFFAOYSA-N 0 3 269.352 2.060 20 30 CEEDHN C#CC(C)(C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000265164934 190163051 /nfs/dbraw/zinc/16/30/51/190163051.db2.gz CNXBAEOLILQQMK-UHFFFAOYSA-N 0 3 270.376 2.424 20 30 CEEDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(C#N)cc1F)CC2 ZINC000332651375 377654443 /nfs/dbraw/zinc/65/44/43/377654443.db2.gz NIOSLAJKYVGNRR-GXFFZTMASA-N 0 3 299.353 2.263 20 30 CEEDHN Cc1cccc(OC[C@H](O)CNCC2(CC#N)CC2)c1 ZINC000566125433 377729754 /nfs/dbraw/zinc/72/97/54/377729754.db2.gz SDPPYISJAZHGBL-CQSZACIVSA-N 0 3 274.364 2.018 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccccn1 ZINC000433122105 377780601 /nfs/dbraw/zinc/78/06/01/377780601.db2.gz PJAZYRHPZJSPBB-HNNXBMFYSA-N 0 3 279.343 2.470 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000566910750 377782672 /nfs/dbraw/zinc/78/26/72/377782672.db2.gz ICEPXLGAMGWFGD-MJBXVCDLSA-N 0 3 299.374 2.189 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccnc(OC)c1 ZINC000566475487 377761813 /nfs/dbraw/zinc/76/18/13/377761813.db2.gz LXYYGUJCWFRDIW-YUTCNCBUSA-N 0 3 262.353 2.474 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(OC)cc(C)n1 ZINC000435744837 377810671 /nfs/dbraw/zinc/81/06/71/377810671.db2.gz ZOFKXGKVSHKKGT-CJNGLKHVSA-N 0 3 276.380 2.469 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(C(C)C)nc1C ZINC000293912694 377823806 /nfs/dbraw/zinc/82/38/06/377823806.db2.gz GDPYDARZGMJOSW-UHFFFAOYSA-N 0 3 287.407 2.198 20 30 CEEDHN CC(C)C(C)(C)CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000438300099 377895506 /nfs/dbraw/zinc/89/55/06/377895506.db2.gz PVZFDKDSAWTLJD-AWEZNQCLSA-N 0 3 273.380 2.356 20 30 CEEDHN N#C[C@@H](c1ccccc1)N1CCN(CC[C@@H]2CCOC2)CC1 ZINC000437582433 377852303 /nfs/dbraw/zinc/85/23/03/377852303.db2.gz QQADVGGUQOYWAH-AEFFLSMTSA-N 0 3 299.418 2.295 20 30 CEEDHN C=CCCCN1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000440487329 377930158 /nfs/dbraw/zinc/93/01/58/377930158.db2.gz BFICXXTWESKPIH-INIZCTEOSA-N 0 3 282.428 2.348 20 30 CEEDHN C[C@H](C#N)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000438714141 377910973 /nfs/dbraw/zinc/91/09/73/377910973.db2.gz TZFNQIXTNMNDHN-CQSZACIVSA-N 0 3 285.391 2.269 20 30 CEEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)C(=O)N1Cc2ccccc2C1 ZINC000442848846 378007772 /nfs/dbraw/zinc/00/77/72/378007772.db2.gz AXNGNENDPAQUGQ-XEZPLFJOSA-N 0 3 283.375 2.199 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1cc2ccccc2o1 ZINC000294729620 378016142 /nfs/dbraw/zinc/01/61/42/378016142.db2.gz WEWKEOZPMQKNKE-LBPRGKRZSA-N 0 3 270.332 2.223 20 30 CEEDHN C=CCOc1ccc(CC(=O)NCCN(C)C2CC2)cc1 ZINC000294659928 378003065 /nfs/dbraw/zinc/00/30/65/378003065.db2.gz WHOSLOMYQXDTIE-UHFFFAOYSA-N 0 3 288.391 2.004 20 30 CEEDHN C#CCN(C)CCCN[C@H](c1cnn(C)c1)c1ccccc1 ZINC000295060085 378038452 /nfs/dbraw/zinc/03/84/52/378038452.db2.gz RBULXFVRJXQALM-SFHVURJKSA-N 0 3 296.418 2.054 20 30 CEEDHN C[C@@H](N[C@@H]1CCOC1(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000295237717 378065433 /nfs/dbraw/zinc/06/54/33/378065433.db2.gz OZUZUCWRBKKAGH-BXUZGUMPSA-N 0 3 287.363 2.042 20 30 CEEDHN C=CC[C@H]1N(C(=O)C(C)S(C)(=O)=O)CCCC1(C)C ZINC000443872295 378074651 /nfs/dbraw/zinc/07/46/51/378074651.db2.gz ZQNAWLIIJBJWSI-NWDGAFQWSA-N 0 3 287.425 2.013 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)NC1CC1 ZINC000295268641 378078012 /nfs/dbraw/zinc/07/80/12/378078012.db2.gz VKXIAOLQODSFKH-ZDUSSCGKSA-N 0 3 288.391 2.350 20 30 CEEDHN C#CCCOc1ccc(C(=O)NCC2=CCN(C)CC2)cc1 ZINC000294890583 378025924 /nfs/dbraw/zinc/02/59/24/378025924.db2.gz GGDYJJPLGJIDAC-UHFFFAOYSA-N 0 3 298.386 2.080 20 30 CEEDHN C#CCO[C@@H](C)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000295426822 378152407 /nfs/dbraw/zinc/15/24/07/378152407.db2.gz FJNKAHZMRCPKNZ-ZDUSSCGKSA-N 0 3 274.364 2.033 20 30 CEEDHN C[C@H]1C[C@@]1(C#N)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000448835124 378187899 /nfs/dbraw/zinc/18/78/99/378187899.db2.gz JRYYRPZOFITWSX-LRDDRELGSA-N 0 3 287.363 2.115 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000448920892 378191726 /nfs/dbraw/zinc/19/17/26/378191726.db2.gz JNZWIYSEQLWWLO-VXGBXAGGSA-N 0 3 290.329 2.342 20 30 CEEDHN C=CCCCC[C@@H](C)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000449154878 378198862 /nfs/dbraw/zinc/19/88/62/378198862.db2.gz JSJXUFHERRXLSU-HIFRSBDPSA-N 0 3 290.411 2.250 20 30 CEEDHN CC1(C#N)CCC(N[C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000449246209 378200504 /nfs/dbraw/zinc/20/05/04/378200504.db2.gz CYNAOEDJKWEURR-NPCAHTBFSA-N 0 3 289.354 2.414 20 30 CEEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C(=O)NCCc1ccccc1 ZINC000449581376 378216704 /nfs/dbraw/zinc/21/67/04/378216704.db2.gz ZNEPZBQQHWNDKN-USXIJHARSA-N 0 3 299.418 2.406 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccc(N2CCCC2)nc1 ZINC000449699927 378221598 /nfs/dbraw/zinc/22/15/98/378221598.db2.gz RSPYVTNGTGMVTK-HNNXBMFYSA-N 0 3 275.396 2.099 20 30 CEEDHN C=CCOc1ccccc1CN1C[C@H](O)C[C@H](C)C1 ZINC000449764685 378227989 /nfs/dbraw/zinc/22/79/89/378227989.db2.gz DAADJOGZRNJYGR-DZGCQCFKSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCOc1ccc(CN2C[C@H](C)C[C@@H](O)C2)cc1 ZINC000449767269 378229017 /nfs/dbraw/zinc/22/90/17/378229017.db2.gz PTVMFSOBFARMRU-UKRRQHHQSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCC1(C(=O)NCCN(C)C2CC2)CCCC1 ZINC000449803621 378234382 /nfs/dbraw/zinc/23/43/82/378234382.db2.gz KJZDJVIHOTZHEB-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCC1(C(=O)NC[C@@H]2CCCN2CCOC)CCCC1 ZINC000449845039 378237331 /nfs/dbraw/zinc/23/73/31/378237331.db2.gz YKXPEQLBCNNJMA-HNNXBMFYSA-N 0 3 294.439 2.350 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000296780185 378646582 /nfs/dbraw/zinc/64/65/82/378646582.db2.gz GVNGETALCGZWBQ-IRXDYDNUSA-N 0 3 299.418 2.044 20 30 CEEDHN C[C@@H](C1CC1)N(CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000298449506 378729967 /nfs/dbraw/zinc/72/99/67/378729967.db2.gz GFWVGALOCORBRQ-ZDUSSCGKSA-N 0 3 297.402 2.437 20 30 CEEDHN CC[C@@H](C)[C@@H](O)CNCc1ccc(OC)c(C#N)c1 ZINC000266241988 190242866 /nfs/dbraw/zinc/24/28/66/190242866.db2.gz XJRFQXLNMKPNPO-RISCZKNCSA-N 0 3 262.353 2.063 20 30 CEEDHN CN1CCC[C@H]1CNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000299253089 378943616 /nfs/dbraw/zinc/94/36/16/378943616.db2.gz QFVWBVWFXFHAAQ-LBPRGKRZSA-N 0 3 292.770 2.427 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)[C@@H]1CCN(C2CC2)C1 ZINC000347244340 218167806 /nfs/dbraw/zinc/16/78/06/218167806.db2.gz VKWDFSWQMIDJFW-MRXNPFEDSA-N 0 3 285.391 2.235 20 30 CEEDHN C=CCC[C@H](O)CN(C)Cc1ccc(O)c(OC)c1 ZINC000305094990 379635263 /nfs/dbraw/zinc/63/52/63/379635263.db2.gz RQQUSQONWQVOLL-ZDUSSCGKSA-N 0 3 265.353 2.160 20 30 CEEDHN C=CCN(CCOCCOC)CCc1ccccc1 ZINC000267450627 190331190 /nfs/dbraw/zinc/33/11/90/190331190.db2.gz MJXFPQBENANYSL-UHFFFAOYSA-N 0 3 263.381 2.380 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2[C@@H](C)[C@@H]2C2CC2)CC1 ZINC000528451362 379974385 /nfs/dbraw/zinc/97/43/85/379974385.db2.gz XOWBHTFXWRCPBK-NILFDRSVSA-N 0 3 262.397 2.045 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cnc(C)[nH]1)C(C)C ZINC000267848659 190358731 /nfs/dbraw/zinc/35/87/31/190358731.db2.gz DUPCNIPRFRDLCA-HNNXBMFYSA-N 0 3 290.411 2.147 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1cccc(F)c1C#N ZINC000267721514 190350347 /nfs/dbraw/zinc/35/03/47/190350347.db2.gz TUAGVCPAENSSCQ-FZMZJTMJSA-N 0 3 261.344 2.474 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C)[C@H](C(C)C)C1 ZINC000488042711 380090221 /nfs/dbraw/zinc/09/02/21/380090221.db2.gz OYEIOSRJWPLOFJ-CVEARBPZSA-N 0 3 295.471 2.072 20 30 CEEDHN C=CCCCCCN1CCN(c2nccn2C)CC1 ZINC000488132333 380092669 /nfs/dbraw/zinc/09/26/69/380092669.db2.gz UGYQNEBDHTXYQX-UHFFFAOYSA-N 0 3 262.401 2.289 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1CN(C2CC2)C[C@H]1C ZINC000268111978 190377568 /nfs/dbraw/zinc/37/75/68/190377568.db2.gz IUESYVXAVDHMTH-RHSMWYFYSA-N 0 3 284.403 2.271 20 30 CEEDHN C=CCN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C1CC1 ZINC000540134574 380250553 /nfs/dbraw/zinc/25/05/53/380250553.db2.gz QCZSOJJUBHZURM-MRXNPFEDSA-N 0 3 299.418 2.471 20 30 CEEDHN C#C[C@H](CCC)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000490739899 380260472 /nfs/dbraw/zinc/26/04/72/380260472.db2.gz LQEMAGXQOCGFLU-HZPDHXFCSA-N 0 3 279.343 2.159 20 30 CEEDHN CC1CCN(CCNC(=O)N2CCC(CC#N)CC2)CC1 ZINC000541912776 380288471 /nfs/dbraw/zinc/28/84/71/380288471.db2.gz JXQRATAQQNCKRU-UHFFFAOYSA-N 0 3 292.427 2.054 20 30 CEEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000491289300 380298690 /nfs/dbraw/zinc/29/86/90/380298690.db2.gz YFGJGNDNMPPATG-GFCCVEGCSA-N 0 3 289.335 2.185 20 30 CEEDHN C=CCNC(=O)CN1CCN(C[C@H](CC)CCCC)CC1 ZINC000544855829 380365592 /nfs/dbraw/zinc/36/55/92/380365592.db2.gz YMAIGMVQOKBBKD-MRXNPFEDSA-N 0 3 295.471 2.123 20 30 CEEDHN Cc1cc(CN[C@@H]2CCC(=O)NC23CCC3)ccc1C#N ZINC000334410548 380371906 /nfs/dbraw/zinc/37/19/06/380371906.db2.gz SXLXANBRSFCOKW-OAHLLOKOSA-N 0 3 283.375 2.158 20 30 CEEDHN CCc1nncn1CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000545265157 380375801 /nfs/dbraw/zinc/37/58/01/380375801.db2.gz JHTSVTYBFSGQJA-LBPRGKRZSA-N 0 3 269.352 2.063 20 30 CEEDHN C=CCOc1ccc(CN2C[C@H](O)C(C)(C)C2)cc1OC ZINC000279090594 194280380 /nfs/dbraw/zinc/28/03/80/194280380.db2.gz AHIVZVARAXXBGS-INIZCTEOSA-N 0 3 291.391 2.463 20 30 CEEDHN C[C@@H]1C[C@@H](C)N1CCC(=O)Nc1ccccc1C#N ZINC000548752541 380556613 /nfs/dbraw/zinc/55/66/13/380556613.db2.gz CHXMQQOMEWAHRR-VXGBXAGGSA-N 0 3 257.337 2.370 20 30 CEEDHN CN(CC[C@H]1CCCO1)Cc1cnc2ccc(C#N)cn12 ZINC000527215158 269689721 /nfs/dbraw/zinc/68/97/21/269689721.db2.gz BTPQJTLWKRWBCD-OAHLLOKOSA-N 0 3 284.363 2.207 20 30 CEEDHN C#CC(C)(C)N(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000279310300 194378894 /nfs/dbraw/zinc/37/88/94/194378894.db2.gz RHNSGTXPUNOXAJ-UHFFFAOYSA-N 0 3 269.348 2.230 20 30 CEEDHN CC(C[C@H]1CCCN1C(=O)OC(C)(C)C)=Nn1cnnc1 ZINC000493873738 381150989 /nfs/dbraw/zinc/15/09/89/381150989.db2.gz NXAYMLUCEAPOSH-GFCCVEGCSA-N 0 3 293.371 2.292 20 30 CEEDHN C#CCCN1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000494009040 381151914 /nfs/dbraw/zinc/15/19/14/381151914.db2.gz MRMPHHIRMKQEPI-ZDUSSCGKSA-N 0 3 266.385 2.341 20 30 CEEDHN CC(C#N)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000494522558 381159592 /nfs/dbraw/zinc/15/95/92/381159592.db2.gz KTFIPTUZFFQPKV-GRYCIOLGSA-N 0 3 295.383 2.002 20 30 CEEDHN CC#CCN(C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000495529984 381174980 /nfs/dbraw/zinc/17/49/80/381174980.db2.gz UAZRBEPGQWNGFV-CYBMUJFWSA-N 0 3 266.385 2.245 20 30 CEEDHN CN(CCCNC[C@H](C#N)CCC#N)C(=O)OC(C)(C)C ZINC000497042438 381239839 /nfs/dbraw/zinc/23/98/39/381239839.db2.gz CKZVDKFJMKWCCK-ZDUSSCGKSA-N 0 3 294.399 2.277 20 30 CEEDHN N#Cc1ccc(CN2CCC(NCCF)CC2)cc1 ZINC000280970981 195051800 /nfs/dbraw/zinc/05/18/00/195051800.db2.gz IKZQYAHQWOJAAN-UHFFFAOYSA-N 0 3 261.344 2.082 20 30 CEEDHN C#CCCCC(=O)NCc1ccccc1CN(C)C ZINC000192044681 533018049 /nfs/dbraw/zinc/01/80/49/533018049.db2.gz PSOHGBWFFWIPQY-UHFFFAOYSA-N 0 3 258.365 2.168 20 30 CEEDHN C=CCOCCNCc1cnn(-c2ccccc2)c1 ZINC000388366662 542370978 /nfs/dbraw/zinc/37/09/78/542370978.db2.gz JSMAGVQJXJYOIU-UHFFFAOYSA-N 0 3 257.337 2.165 20 30 CEEDHN Cn1cc(CNC[C@@H]2COc3ccccc32)cc1C#N ZINC000288484455 197091604 /nfs/dbraw/zinc/09/16/04/197091604.db2.gz GUWLTCCLIZFPBQ-CYBMUJFWSA-N 0 3 267.332 2.163 20 30 CEEDHN C[C@@H](C(=O)N(C)CC(C)(C)C#N)N1[C@H](C)CC[C@H]1C ZINC000353247638 533171720 /nfs/dbraw/zinc/17/17/20/533171720.db2.gz JXFHITJVMSIKHB-UPJWGTAASA-N 0 3 265.401 2.256 20 30 CEEDHN CO[C@H](CNC(=O)C(C)C#N)c1cccc(Cl)c1 ZINC000347760420 533176954 /nfs/dbraw/zinc/17/69/54/533176954.db2.gz YDTMZFCRHQZOCH-BXKDBHETSA-N 0 3 266.728 2.303 20 30 CEEDHN C[C@@H](C(=O)N1CCC(C)CC1)N1CCC(CC#N)CC1 ZINC000336507414 533192540 /nfs/dbraw/zinc/19/25/40/533192540.db2.gz HPNNJZBBJQKLPG-AWEZNQCLSA-N 0 3 277.412 2.259 20 30 CEEDHN COCCN(CCCSCC#N)Cc1cccnc1 ZINC000191249372 262190428 /nfs/dbraw/zinc/19/04/28/262190428.db2.gz KNROMNXZUQXVPP-UHFFFAOYSA-N 0 3 279.409 2.177 20 30 CEEDHN COc1cc(CNCC2([C@H](O)C(C)C)CC2)ccc1C#N ZINC000281641964 195318381 /nfs/dbraw/zinc/31/83/81/195318381.db2.gz IYDRCGCEHMAPFY-MRXNPFEDSA-N 0 3 288.391 2.454 20 30 CEEDHN COc1ccc(OCCCNCc2cc(C#N)n(C)c2)cc1 ZINC000190864118 130155118 /nfs/dbraw/zinc/15/51/18/130155118.db2.gz JLOJADMSEWGCOX-UHFFFAOYSA-N 0 3 299.374 2.464 20 30 CEEDHN CC(C)[C@@H](O)CCNCc1ccc(C#N)c(F)c1 ZINC000421369639 394514123 /nfs/dbraw/zinc/51/41/23/394514123.db2.gz WHEWIFYMXWYVBV-AWEZNQCLSA-N 0 3 250.317 2.194 20 30 CEEDHN CC[C@@H](CNc1ncc(C#N)cc1F)N1CCCC1 ZINC000413055117 394476351 /nfs/dbraw/zinc/47/63/51/394476351.db2.gz PWVISVKWRXWUME-LBPRGKRZSA-N 0 3 262.332 2.379 20 30 CEEDHN CC(C#N)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000230401371 394479087 /nfs/dbraw/zinc/47/90/87/394479087.db2.gz OVQUSJVYMIEPOT-ZETCQYMHSA-N 0 3 263.240 2.391 20 30 CEEDHN CCN1CCC[C@@H]1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000035121375 394493119 /nfs/dbraw/zinc/49/31/19/394493119.db2.gz WZBMSYJHTPQONL-GFCCVEGCSA-N 0 3 274.324 2.363 20 30 CEEDHN C[C@H]1C[C@@H](N(C)c2ncc(C#N)cc2F)CCN1C ZINC000413158561 394495309 /nfs/dbraw/zinc/49/53/09/394495309.db2.gz JSHRRADCJRAKOL-JQWIXIFHSA-N 0 3 262.332 2.011 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCCC[C@H]1[C@H](C)O ZINC000305185183 394498723 /nfs/dbraw/zinc/49/87/23/394498723.db2.gz ILZKXASRDQFNQV-WFASDCNBSA-N 0 3 274.364 2.302 20 30 CEEDHN CCN1CCC[C@H](Nc2nc3c(cc2C#N)CCC3)C1 ZINC000042278336 394502457 /nfs/dbraw/zinc/50/24/57/394502457.db2.gz BKSLYVURRYYAOH-AWEZNQCLSA-N 0 3 270.380 2.338 20 30 CEEDHN C=C(C)CN[C@@H](C)c1ccc(OCCO)c(OC)c1 ZINC000305773738 394511928 /nfs/dbraw/zinc/51/19/28/394511928.db2.gz LXXGYYWRDRCLHQ-LBPRGKRZSA-N 0 3 265.353 2.293 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)/C=C\c2cccc(C#N)c2)CN1C1CC1 ZINC000255507307 394580418 /nfs/dbraw/zinc/58/04/18/394580418.db2.gz RMQUWKUZEHRBQX-DSGJPFBLSA-N 0 3 295.386 2.313 20 30 CEEDHN C[C@H]1CC[C@H](NC(=O)N[C@H]2CCc3[nH]cnc3C2)CC1 ZINC000329732293 394581698 /nfs/dbraw/zinc/58/16/98/394581698.db2.gz QDDFNDNDWZSVCR-SRVKXCTJSA-N 0 3 276.384 2.349 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)/C=C\c1cccc(C#N)c1 ZINC000255624510 394585303 /nfs/dbraw/zinc/58/53/03/394585303.db2.gz NHQQYIHMPPSMCA-JJEJIETFSA-N 0 3 297.402 2.372 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCN(CC(F)F)C2)cc1F ZINC000421389769 394521462 /nfs/dbraw/zinc/52/14/62/394521462.db2.gz YKADXDZDWTYCKO-GFCCVEGCSA-N 0 3 283.297 2.126 20 30 CEEDHN CC1(C)[C@@H]2CN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@@H]21 ZINC000247059513 394526313 /nfs/dbraw/zinc/52/63/13/394526313.db2.gz WBBLZEQVBLRTJM-XHSDSOJGSA-N 0 3 295.386 2.251 20 30 CEEDHN C=C(Br)CN[C@]1(C)CCO[C@H]1C1CC1 ZINC000308672541 394530497 /nfs/dbraw/zinc/53/04/97/394530497.db2.gz VLYVAKDEVCNPDV-WDEREUQCSA-N 0 3 260.175 2.442 20 30 CEEDHN CC(C)CN1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000265874071 394654840 /nfs/dbraw/zinc/65/48/40/394654840.db2.gz JXWTXTWUEFUYDT-UHFFFAOYSA-N 0 3 295.390 2.279 20 30 CEEDHN C=CCOc1ccccc1CN1CCCC[C@H]1CC(N)=O ZINC000092588643 394661026 /nfs/dbraw/zinc/66/10/26/394661026.db2.gz RNVWVYLCLKRXCT-HNNXBMFYSA-N 0 3 288.391 2.481 20 30 CEEDHN O=C(N[C@H]1CCN(C2CC2)C1)c1[nH]nnc1-c1ccccc1 ZINC000329937862 394595847 /nfs/dbraw/zinc/59/58/47/394595847.db2.gz SFMLGPIMOPSYOW-LBPRGKRZSA-N 0 3 297.362 2.013 20 30 CEEDHN CCCN1CCC(NC(=O)c2snnc2CC)CC1 ZINC000330456758 394611499 /nfs/dbraw/zinc/61/14/99/394611499.db2.gz NXCNDQXYBKBEHU-UHFFFAOYSA-N 0 3 282.413 2.280 20 30 CEEDHN N#CCOc1ccc(CN2CCN(C3CCC3)CC2)cc1 ZINC000264964776 394642295 /nfs/dbraw/zinc/64/22/95/394642295.db2.gz HAULKMLHRKJABU-UHFFFAOYSA-N 0 3 285.391 2.259 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc(CC#N)cc1 ZINC000270338257 394731140 /nfs/dbraw/zinc/73/11/40/394731140.db2.gz PNKCVKICXMXJTD-OAHLLOKOSA-N 0 3 285.391 2.166 20 30 CEEDHN C#CCOc1ccccc1CNCC1(O)CCCCC1 ZINC000112204902 394743642 /nfs/dbraw/zinc/74/36/42/394743642.db2.gz KTNPGEZZRHCONE-UHFFFAOYSA-N 0 3 273.376 2.483 20 30 CEEDHN CC(C#N)C(=O)NCCc1nc(-c2ccncc2)cs1 ZINC000359192681 394744388 /nfs/dbraw/zinc/74/43/88/394744388.db2.gz QFIGZBGXRLNDQZ-JTQLQIEISA-N 0 3 286.360 2.023 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@H](C(=O)N(C)C)C2)cc1 ZINC000414497400 394744913 /nfs/dbraw/zinc/74/49/13/394744913.db2.gz KOAGLNDAHKTXSJ-HNNXBMFYSA-N 0 3 288.391 2.162 20 30 CEEDHN COCC[C@H](C)O/N=C/c1ccc(N2CCOCC2)cc1 ZINC000268020440 394687862 /nfs/dbraw/zinc/68/78/62/394687862.db2.gz VHXGNHUWLYMRGC-DLRWLJPMSA-N 0 3 292.379 2.299 20 30 CEEDHN C[C@@H]1[C@H](C)N(Cc2cc(F)ccc2C#N)CCN1C ZINC000357049556 394693390 /nfs/dbraw/zinc/69/33/90/394693390.db2.gz XSEVGDCWEQZTHH-NEPJUHHUSA-N 0 3 261.344 2.222 20 30 CEEDHN C[C@H](NCCCN1CCCC1=O)c1ccc(C#N)cc1F ZINC000358561470 394724525 /nfs/dbraw/zinc/72/45/25/394724525.db2.gz SFEHBHKZOPUGJX-LBPRGKRZSA-N 0 3 289.354 2.360 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000335009438 394725746 /nfs/dbraw/zinc/72/57/46/394725746.db2.gz VBYUYEMFYJQWHV-HNNXBMFYSA-N 0 3 286.379 2.425 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(CCCO)CC(C)(C)C ZINC000359394919 394751230 /nfs/dbraw/zinc/75/12/30/394751230.db2.gz ZYKACDKUUGFKFT-UHFFFAOYSA-N 0 3 284.444 2.142 20 30 CEEDHN C=CCN1CCC(Nc2nccc(C(F)F)n2)CC1 ZINC000359486202 394757451 /nfs/dbraw/zinc/75/74/51/394757451.db2.gz SZAQOOAZSQNFSY-UHFFFAOYSA-N 0 3 268.311 2.477 20 30 CEEDHN CN(C[C@H](O)c1ccc(C#N)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000272462007 394773183 /nfs/dbraw/zinc/77/31/83/394773183.db2.gz DPDXRMCVFUCTKT-ULQDDVLXSA-N 0 3 288.391 2.075 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@H](C)c2cccnc2)CC1 ZINC000359962233 394781318 /nfs/dbraw/zinc/78/13/18/394781318.db2.gz ZSXXGGWEVNYHOG-AWEZNQCLSA-N 0 3 287.407 2.342 20 30 CEEDHN C=C1CCN(CC2(CN3CCC(=C)CC3)COC2)CC1 ZINC000360028985 394784766 /nfs/dbraw/zinc/78/47/66/394784766.db2.gz YTNPEGYZZJDFNN-UHFFFAOYSA-N 0 3 276.424 2.307 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC(CC(=O)N3CCCC3)CC2)C1 ZINC000335903309 394810064 /nfs/dbraw/zinc/81/00/64/394810064.db2.gz OQNKOTZTZWQZDH-CVEARBPZSA-N 0 3 289.423 2.403 20 30 CEEDHN N#CCc1ccc(CN2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000335990753 394817277 /nfs/dbraw/zinc/81/72/77/394817277.db2.gz SUQGGLMRUMUHKR-HOTGVXAUSA-N 0 3 288.416 2.459 20 30 CEEDHN CC(C#N)C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000336171043 394830855 /nfs/dbraw/zinc/83/08/55/394830855.db2.gz YJNVAHJCDMZNJB-LLVKDONJSA-N 0 3 250.342 2.096 20 30 CEEDHN C#CCCCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000362292902 394851460 /nfs/dbraw/zinc/85/14/60/394851460.db2.gz FVHHTYMUMGLLMU-DZFIZOCASA-N 0 3 296.414 2.427 20 30 CEEDHN CN(C)C1CN(c2cc(C#N)ccc2C(F)(F)F)C1 ZINC000128642446 394854929 /nfs/dbraw/zinc/85/49/29/394854929.db2.gz ICSZHTGYCBNXCZ-UHFFFAOYSA-N 0 3 269.270 2.327 20 30 CEEDHN C=C[C@H](C)NC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000362381569 394859071 /nfs/dbraw/zinc/85/90/71/394859071.db2.gz ZIBRDWWXYDGQSL-RWMBFGLXSA-N 0 3 253.390 2.123 20 30 CEEDHN C=CCN1CC[C@H](NC2(c3ccccc3)CCC2)C1=O ZINC000282132237 394911047 /nfs/dbraw/zinc/91/10/47/394911047.db2.gz YWRPJRDSIIKPCV-HNNXBMFYSA-N 0 3 270.376 2.442 20 30 CEEDHN C[C@H](C#N)CN(C(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC000338374876 394917286 /nfs/dbraw/zinc/91/72/86/394917286.db2.gz RAWAXKWOEONVPX-KGLIPLIRSA-N 0 3 277.412 2.402 20 30 CEEDHN C=C(C)CN1CCC(N[C@@H](C)c2cc(C)n(C)n2)CC1 ZINC000282397022 394919343 /nfs/dbraw/zinc/91/93/43/394919343.db2.gz XSPBSXFUJSIAGE-AWEZNQCLSA-N 0 3 276.428 2.420 20 30 CEEDHN CCNC(=O)[C@H](NCc1ccc(CC#N)cc1)C(C)C ZINC000339331552 394955398 /nfs/dbraw/zinc/95/53/98/394955398.db2.gz GCTLIBPDBONNQI-OAHLLOKOSA-N 0 3 273.380 2.003 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(C)n(C)n1 ZINC000282801356 394924650 /nfs/dbraw/zinc/92/46/50/394924650.db2.gz QTWAXKBVZSXJAI-NFAWXSAZSA-N 0 3 263.385 2.360 20 30 CEEDHN C=CCOCCN1CCC(Oc2ccccn2)CC1 ZINC000339037937 394938273 /nfs/dbraw/zinc/93/82/73/394938273.db2.gz YGKVHHMZEHYMBQ-UHFFFAOYSA-N 0 3 262.353 2.127 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H]1CCC[C@@H]1CCO ZINC000285959015 394991525 /nfs/dbraw/zinc/99/15/25/394991525.db2.gz DFTXZHLTRWUAIZ-HIFRSBDPSA-N 0 3 274.364 2.208 20 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ZINC000354378899 395329580 /nfs/dbraw/zinc/32/95/80/395329580.db2.gz DFEDQZJONCSYSD-HUUCEWRRSA-N 0 3 282.428 2.348 20 30 CEEDHN Cn1cc(CNC[C@@H](c2ccco2)N2CCCC2)cc1C#N ZINC000189577750 395329911 /nfs/dbraw/zinc/32/99/11/395329911.db2.gz PXHQPZQMCWTXFE-INIZCTEOSA-N 0 3 298.390 2.416 20 30 CEEDHN COCCCN(CCO)CCC1(C#N)CCCCC1 ZINC000411621805 395332118 /nfs/dbraw/zinc/33/21/18/395332118.db2.gz YAXMQYLKVHZLBB-UHFFFAOYSA-N 0 3 268.401 2.181 20 30 CEEDHN CO[C@H]1CN(CCC2(C#N)CCCCC2)C[C@@H]1OC ZINC000411635106 395334240 /nfs/dbraw/zinc/33/42/40/395334240.db2.gz QKHKKUOOVRVSCU-KBPBESRZSA-N 0 3 266.385 2.196 20 30 CEEDHN N#Cc1ccc(OCCN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442863063 395396394 /nfs/dbraw/zinc/39/63/94/395396394.db2.gz BWYIORVZDNNSIO-KGLIPLIRSA-N 0 3 255.321 2.219 20 30 CEEDHN C=CCN(C)CCN(CC)[C@@H](C)c1nnc(CC)o1 ZINC000411635250 395334379 /nfs/dbraw/zinc/33/43/79/395334379.db2.gz BIYHKEGNPIEYEU-LBPRGKRZSA-N 0 3 266.389 2.133 20 30 CEEDHN Cn1ncc2c1CCCN(CCCC(C)(C)C#N)C2 ZINC000411850328 395341309 /nfs/dbraw/zinc/34/13/09/395341309.db2.gz WAMKQOKMTPKJDZ-UHFFFAOYSA-N 0 3 260.385 2.498 20 30 CEEDHN CN(C)C(=O)[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000411937237 395342787 /nfs/dbraw/zinc/34/27/87/395342787.db2.gz GSQVZLMHVKTEJJ-AWEZNQCLSA-N 0 3 290.794 2.102 20 30 CEEDHN CN(CC#Cc1ccccc1)C(C)(C)CN1CCOCC1 ZINC000412094539 395349325 /nfs/dbraw/zinc/34/93/25/395349325.db2.gz KOVSLUGJTLIFIG-UHFFFAOYSA-N 0 3 286.419 2.081 20 30 CEEDHN CN1CCC[C@@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000533406546 395461585 /nfs/dbraw/zinc/46/15/85/395461585.db2.gz QFIBKCRGFPSNPK-HNNXBMFYSA-N 0 3 297.402 2.048 20 30 CEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000448776031 395538714 /nfs/dbraw/zinc/53/87/14/395538714.db2.gz DMHBIPKEFUKWCA-IOASZLSFSA-N 0 3 277.412 2.163 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000448785049 395539348 /nfs/dbraw/zinc/53/93/48/395539348.db2.gz YGEALOPNNGYUJB-NWDGAFQWSA-N 0 3 288.395 2.045 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000573549351 395610580 /nfs/dbraw/zinc/61/05/80/395610580.db2.gz UKXYTTGIUJFRIZ-MJBXVCDLSA-N 0 3 252.402 2.387 20 30 CEEDHN COc1cc(CN2CC[C@H](OC)[C@@H](C)C2)ccc1C#N ZINC000449510296 395552008 /nfs/dbraw/zinc/55/20/08/395552008.db2.gz XBENCZJMKCIZFQ-WFASDCNBSA-N 0 3 274.364 2.424 20 30 CEEDHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)s1 ZINC000449509161 395552268 /nfs/dbraw/zinc/55/22/68/395552268.db2.gz IQIIQCHAAYACKV-OLZOCXBDSA-N 0 3 278.377 2.441 20 30 CEEDHN N#CC1(CNC(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000568356700 395555172 /nfs/dbraw/zinc/55/51/72/395555172.db2.gz LCUZLPVUTSEFGW-CQSZACIVSA-N 0 3 275.396 2.203 20 30 CEEDHN N#CC1(CNC(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000568356699 395555345 /nfs/dbraw/zinc/55/53/45/395555345.db2.gz LCUZLPVUTSEFGW-AWEZNQCLSA-N 0 3 275.396 2.203 20 30 CEEDHN CO[C@H]([C@@H](C)NCc1cnc2ccc(C#N)cn12)C1CC1 ZINC000449631181 395557768 /nfs/dbraw/zinc/55/77/68/395557768.db2.gz OIQXKWOQBKDEJW-BDJLRTHQSA-N 0 3 284.363 2.109 20 30 CEEDHN N#Cc1csc(CN2CC[C@@H](CCCO)C2)c1 ZINC000449793788 395560597 /nfs/dbraw/zinc/56/05/97/395560597.db2.gz YENWONBCISLPIV-LLVKDONJSA-N 0 3 250.367 2.214 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452169251 395626174 /nfs/dbraw/zinc/62/61/74/395626174.db2.gz FRYZHZLJWFQTHQ-CYBMUJFWSA-N 0 3 297.402 2.423 20 30 CEEDHN Cc1ccc(C[C@H](CO)NCc2ccc(C#N)o2)cc1C ZINC000453609778 395628361 /nfs/dbraw/zinc/62/83/61/395628361.db2.gz BHEAXKBKNOHXRE-OAHLLOKOSA-N 0 3 284.359 2.461 20 30 CEEDHN CN(Cc1cnc2c(C#N)cnn2c1)CC(C)(C)C ZINC000575046798 395644725 /nfs/dbraw/zinc/64/47/25/395644725.db2.gz FHMXPOYKMXNJOL-UHFFFAOYSA-N 0 3 257.341 2.079 20 30 CEEDHN Cc1cc(CN2C[C@@H](C)N(C)C[C@H]2C)ccc1C#N ZINC000488110401 395668044 /nfs/dbraw/zinc/66/80/44/395668044.db2.gz DNBVNXGSJNCZTN-ZIAGYGMSSA-N 0 3 257.381 2.391 20 30 CEEDHN CCN1CCC(NC(=O)/C=C\c2cccc(C#N)c2)CC1 ZINC000490698740 395668981 /nfs/dbraw/zinc/66/89/81/395668981.db2.gz AQCLNXFTQAYVEK-SREVYHEPSA-N 0 3 283.375 2.172 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1coc2ccc(F)cc12 ZINC000491414546 395669439 /nfs/dbraw/zinc/66/94/39/395669439.db2.gz CYHGGYDHDRDQAG-UHFFFAOYSA-N 0 3 288.322 2.257 20 30 CEEDHN CN(CCN1CCCC1)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000491464952 395669855 /nfs/dbraw/zinc/66/98/55/395669855.db2.gz PPJDKRMAHGDPSY-HJWRWDBZSA-N 0 3 283.375 2.126 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@@H](CC)C(C)C ZINC000491631195 395670216 /nfs/dbraw/zinc/67/02/16/395670216.db2.gz NVHWCXCQQDCWQA-CQSZACIVSA-N 0 3 252.402 2.130 20 30 CEEDHN C#C[C@H](NC(=O)N(C)[C@@H](C)C1CCN(C)CC1)C(C)C ZINC000491738366 395670589 /nfs/dbraw/zinc/67/05/89/395670589.db2.gz WQFUEXSJOQQLDC-ZFWWWQNUSA-N 0 3 279.428 2.016 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCc2ccc(OC)cc2CC1 ZINC000649398517 396141383 /nfs/dbraw/zinc/14/13/83/396141383.db2.gz NKQFDQRYDKTTJR-MRXNPFEDSA-N 0 3 261.365 2.033 20 30 CEEDHN CCCCO[C@@H]1C[C@H](NCC#CCOC)C1(C)C ZINC000649580193 396197496 /nfs/dbraw/zinc/19/74/96/396197496.db2.gz BEFYCLHONPVTLE-UONOGXRCSA-N 0 3 253.386 2.210 20 30 CEEDHN C=CCCN(C)Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000649592034 396202879 /nfs/dbraw/zinc/20/28/79/396202879.db2.gz RSEOZXMJXLQGSP-UHFFFAOYSA-N 0 3 294.420 2.135 20 30 CEEDHN N#Cc1csc(CN[C@@H](CO)CC2CCC2)c1 ZINC000355491821 154362263 /nfs/dbraw/zinc/36/22/63/154362263.db2.gz FELPRZYMVPLWJN-GFCCVEGCSA-N 0 3 250.367 2.260 20 30 CEEDHN C=CCC[C@@H](O)CN[C@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000150878550 400281898 /nfs/dbraw/zinc/28/18/98/400281898.db2.gz MNFVBFSAKLPERC-IMJJTQAJSA-N 0 3 291.391 2.454 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N1CCN(C2CCCC2)CC1)OCC ZINC000339422889 400363702 /nfs/dbraw/zinc/36/37/02/400363702.db2.gz IQACIUSCUMYQNW-MRXNPFEDSA-N 0 3 294.439 2.445 20 30 CEEDHN C#C[C@@H](C)N(C)CC[C@@H](C(=O)OC)c1ccccc1 ZINC000491644041 400593914 /nfs/dbraw/zinc/59/39/14/400593914.db2.gz IIWQGRPONIBGIA-UKRRQHHQSA-N 0 3 259.349 2.287 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000359911672 155164091 /nfs/dbraw/zinc/16/40/91/155164091.db2.gz MCYZJVXWWVDFIB-CZUORRHYSA-N 0 3 285.391 2.262 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](CO)CCF)cc1OC ZINC000652015078 401432230 /nfs/dbraw/zinc/43/22/30/401432230.db2.gz TYWGCYVXBIVFPX-CYBMUJFWSA-N 0 3 283.343 2.070 20 30 CEEDHN Cn1cc(CNCc2cccc(C#N)c2)cc1C#N ZINC000189587874 153101207 /nfs/dbraw/zinc/10/12/07/153101207.db2.gz CULQAKSAFHMOGN-UHFFFAOYSA-N 0 3 250.305 2.058 20 30 CEEDHN CC(C)CC[C@@](C)(O)CNCc1cc(C#N)n(C)c1 ZINC000191173025 153162402 /nfs/dbraw/zinc/16/24/02/153162402.db2.gz BSXPFOYMTHDHDP-OAHLLOKOSA-N 0 3 263.385 2.174 20 30 CEEDHN N#Cc1ccc(CNCC[C@H]2C(=O)Nc3ccccc32)o1 ZINC000174245794 165101030 /nfs/dbraw/zinc/10/10/30/165101030.db2.gz VNKDYFLSDTWUBX-CQSZACIVSA-N 0 3 281.315 2.367 20 30 CEEDHN N#Cc1ccc(OCCNCc2cccc3nccn32)cc1 ZINC000179428243 165280077 /nfs/dbraw/zinc/28/00/77/165280077.db2.gz QRNCLKHQRVFZJC-UHFFFAOYSA-N 0 3 292.342 2.375 20 30 CEEDHN C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000007016105 170262184 /nfs/dbraw/zinc/26/21/84/170262184.db2.gz OQQHMMLTYWMVPA-LRDDRELGSA-N 0 3 271.364 2.146 20 30 CEEDHN C[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)N(C)C1CC1 ZINC000285208652 196221395 /nfs/dbraw/zinc/22/13/95/196221395.db2.gz DMRXCGLFSISCDY-JTQLQIEISA-N 0 3 291.782 2.424 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N(C)CCN1CCCCC1 ZINC000652991406 414861137 /nfs/dbraw/zinc/86/11/37/414861137.db2.gz BHKQKDNPTRXPQU-MRXNPFEDSA-N 0 3 282.428 2.160 20 30 CEEDHN C=CC[C@@H](CO)CNCc1ccc(F)c(F)c1F ZINC000657426725 414928200 /nfs/dbraw/zinc/92/82/00/414928200.db2.gz JNKVOOXNPPYBPX-SECBINFHSA-N 0 3 259.271 2.378 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCCOC(C)(C)C)CC1 ZINC000660707635 414942719 /nfs/dbraw/zinc/94/27/19/414942719.db2.gz QTMXYKHPUSUMMQ-UHFFFAOYSA-N 0 3 297.443 2.141 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC1CCN(CC)CC1 ZINC000660821743 414990087 /nfs/dbraw/zinc/99/00/87/414990087.db2.gz IEDUBUPZFRZKGT-GASCZTMLSA-N 0 3 277.412 2.363 20 30 CEEDHN C=CCN(C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CC1 ZINC000654731093 415021639 /nfs/dbraw/zinc/02/16/39/415021639.db2.gz BWIQFRJEJYAPPM-HUUCEWRRSA-N 0 3 277.412 2.363 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660717886 414946025 /nfs/dbraw/zinc/94/60/25/414946025.db2.gz MEXVHRLEYRDZIQ-INIZCTEOSA-N 0 3 290.411 2.275 20 30 CEEDHN C=C(C)COCCNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654492142 414951181 /nfs/dbraw/zinc/95/11/81/414951181.db2.gz DUVUSEREFFWSHJ-UHFFFAOYSA-N 0 3 297.443 2.095 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)NCC2(N(C)C)CCC2)C1 ZINC000661050358 415075309 /nfs/dbraw/zinc/07/53/09/415075309.db2.gz HPBGDLYDXMSKCZ-CQSZACIVSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CC[C@H]1CCCC[C@H]1NCc1ncnn1CCF ZINC000661114973 415101639 /nfs/dbraw/zinc/10/16/39/415101639.db2.gz NMNHOOPWPJQXJO-QWHCGFSZSA-N 0 3 266.364 2.472 20 30 CEEDHN OC[C@H](NCC#Cc1ccc(Cl)cc1)C1CCC1 ZINC000661153962 415113763 /nfs/dbraw/zinc/11/37/63/415113763.db2.gz KJRQHNKBZQGSDG-HNNXBMFYSA-N 0 3 263.768 2.442 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnnn1CC1CC1 ZINC000657976002 415144970 /nfs/dbraw/zinc/14/49/70/415144970.db2.gz JLAXBEAGBZCITE-ZIAGYGMSSA-N 0 3 275.400 2.308 20 30 CEEDHN CCN(CC)[C@H](CNC(=O)[C@@H](C)C#N)c1ccccc1 ZINC000044809439 175257328 /nfs/dbraw/zinc/25/73/28/175257328.db2.gz SWPJXHTVNRPUDQ-DZGCQCFKSA-N 0 3 273.380 2.345 20 30 CEEDHN C=CC[C@@H]1CCCN(CCc2nnn(C(C)(C)C)n2)C1 ZINC000661384923 415234976 /nfs/dbraw/zinc/23/49/76/415234976.db2.gz LWMLGVUCROLNIN-CYBMUJFWSA-N 0 3 277.416 2.259 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](CN)C(F)(F)F ZINC000659025252 415394665 /nfs/dbraw/zinc/39/46/65/415394665.db2.gz PHSSOBKKUCKRRY-OUAUKWLOSA-N 0 3 293.333 2.310 20 30 CEEDHN C=CC[C@H](CO)CN[C@@H](C)c1cn2ccccc2n1 ZINC000655737128 415421563 /nfs/dbraw/zinc/42/15/63/415421563.db2.gz VTZZRKKIPVKUJS-STQMWFEESA-N 0 3 259.353 2.170 20 30 CEEDHN C=CCn1c(CC)nnc1N1CCN(C(C)(C)CC)CC1 ZINC000655618634 415365008 /nfs/dbraw/zinc/36/50/08/415365008.db2.gz QFAONCYGSSIOQU-UHFFFAOYSA-N 0 3 291.443 2.337 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1NCC1(C)C ZINC000659329156 415518731 /nfs/dbraw/zinc/51/87/31/415518731.db2.gz LWLUEVJRXDTOSQ-UPJWGTAASA-N 0 3 250.386 2.236 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000659329972 415521528 /nfs/dbraw/zinc/52/15/28/415521528.db2.gz TZLIOICSFAMJRA-ILXRZTDVSA-N 0 3 280.412 2.006 20 30 CEEDHN CCC#C[C@@H](C)N1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000662115446 415630909 /nfs/dbraw/zinc/63/09/09/415630909.db2.gz LOVDGPRSXMEXEA-ZIAGYGMSSA-N 0 3 250.386 2.025 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@H](C2CCC2)C1 ZINC000662041096 415591868 /nfs/dbraw/zinc/59/18/68/415591868.db2.gz XZWQRRQXEBEUOY-OCCSQVGLSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCOCCCN[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000656685034 415812387 /nfs/dbraw/zinc/81/23/87/415812387.db2.gz ILEOYRRKQGSGKM-MRXNPFEDSA-N 0 3 288.391 2.189 20 30 CEEDHN COc1ccc2c(c1)C1(CC1)CN(C(=O)C(C)C#N)C2 ZINC000334945162 225370340 /nfs/dbraw/zinc/37/03/40/225370340.db2.gz MQHMGNOTVOGTHW-NSHDSACASA-N 0 3 270.332 2.229 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2cncc(F)c2)nc(C)n1 ZINC000346172126 225707291 /nfs/dbraw/zinc/70/72/91/225707291.db2.gz DPDNEYBTDZZBGJ-LBPRGKRZSA-N 0 3 270.267 2.118 20 30 CEEDHN CC(C#N)C(=O)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000347058911 226008873 /nfs/dbraw/zinc/00/88/73/226008873.db2.gz CIRDMFZIEICATD-CYBMUJFWSA-N 0 3 294.358 2.043 20 30 CEEDHN C[C@@H]1CN(C2CCOCC2)CCN1CCC(C)(C)C#N ZINC000347125291 226035579 /nfs/dbraw/zinc/03/55/79/226035579.db2.gz JNKYOCVUJQDKJM-CQSZACIVSA-N 0 3 279.428 2.111 20 30 CEEDHN CN(C)Cc1ccccc1C(=O)N1CCC(C#N)CC1 ZINC000335916225 228008842 /nfs/dbraw/zinc/00/88/42/228008842.db2.gz FUJHHEBDIFVJAG-UHFFFAOYSA-N 0 3 271.364 2.124 20 30 CEEDHN CO[C@H](CNCc1cnc2ccc(C#N)cn12)CC(C)C ZINC000418101992 228043794 /nfs/dbraw/zinc/04/37/94/228043794.db2.gz QWQAHGHHRFTWDA-HNNXBMFYSA-N 0 3 286.379 2.357 20 30 CEEDHN CC(C#N)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000336077050 228185179 /nfs/dbraw/zinc/18/51/79/228185179.db2.gz KQWSELMUYQAYLL-VIFPVBQESA-N 0 3 293.164 2.493 20 30 CEEDHN C=C[C@@](C)(O)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000666219375 419589429 /nfs/dbraw/zinc/58/94/29/419589429.db2.gz MQSBLRBKXUGIKA-MRXNPFEDSA-N 0 3 276.380 2.404 20 30 CEEDHN C#C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000187731526 260053697 /nfs/dbraw/zinc/05/36/97/260053697.db2.gz GGFJZUMVJJWAKO-YQQAZPJKSA-N 0 3 299.418 2.360 20 30 CEEDHN C=CCN(CCc1ccccc1)C[C@H](O)CSC ZINC000187767394 260056324 /nfs/dbraw/zinc/05/63/24/260056324.db2.gz GJWRLTYIXUPIEY-HNNXBMFYSA-N 0 3 265.422 2.441 20 30 CEEDHN C=CC[C@@H](CO)[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000297343127 260119777 /nfs/dbraw/zinc/11/97/77/260119777.db2.gz DQVQVYQWCVJIFQ-NSHDSACASA-N 0 3 285.771 2.471 20 30 CEEDHN C#CCN(CCCC(=O)NCCC)Cc1ccccc1 ZINC000298557399 260157042 /nfs/dbraw/zinc/15/70/42/260157042.db2.gz OXUQDJHIWUIDSZ-UHFFFAOYSA-N 0 3 272.392 2.428 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](CC)c1ccccc1 ZINC000299339824 260183066 /nfs/dbraw/zinc/18/30/66/260183066.db2.gz ACHUWRKTZFCTKW-TZMCWYRMSA-N 0 3 289.379 2.128 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000426765947 260213873 /nfs/dbraw/zinc/21/38/73/260213873.db2.gz UTXPRXPTZFRJCC-IRXDYDNUSA-N 0 3 297.402 2.296 20 30 CEEDHN CCN(CC)c1ccc(/C=[NH+]/CCOCCOC)c([O-])c1 ZINC000067943233 260254194 /nfs/dbraw/zinc/25/41/94/260254194.db2.gz LRZSJXZSPNVKQS-GHRIWEEISA-N 0 3 294.395 2.320 20 30 CEEDHN COc1ccc(CN[C@H](C)CCO)cc1OCCCC#N ZINC000119668622 260697036 /nfs/dbraw/zinc/69/70/36/260697036.db2.gz CZANKIULAJOCPP-CYBMUJFWSA-N 0 3 292.379 2.238 20 30 CEEDHN C=CCCC[C@H](C)Sc1nnnn1CCN(C)C ZINC000360563144 261077276 /nfs/dbraw/zinc/07/72/76/261077276.db2.gz NQEWOWBQMWGDCW-NSHDSACASA-N 0 3 269.418 2.072 20 30 CEEDHN C=CCCCNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000448384478 261136925 /nfs/dbraw/zinc/13/69/25/261136925.db2.gz QREVFRDBDFHGKM-CYBMUJFWSA-N 0 3 267.417 2.324 20 30 CEEDHN CN(CCN1CCCC1)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000448903430 261150628 /nfs/dbraw/zinc/15/06/28/261150628.db2.gz HMKALGGKJOMPRU-INIZCTEOSA-N 0 3 275.396 2.015 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000490555206 261161805 /nfs/dbraw/zinc/16/18/05/261161805.db2.gz ACECXYFBXHZIOW-DZGCQCFKSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249872060 261259017 /nfs/dbraw/zinc/25/90/17/261259017.db2.gz GHDSMCXXGFSOGH-ZMSDIMECSA-N 0 3 271.360 2.356 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1cc2cccc(F)c2o1 ZINC000491164783 261356454 /nfs/dbraw/zinc/35/64/54/261356454.db2.gz FSTDYDOTMQZFRO-LLVKDONJSA-N 0 3 288.322 2.362 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCCC2(C)C)CC1 ZINC000491418959 261567058 /nfs/dbraw/zinc/56/70/58/261567058.db2.gz SQMOZQPIBKUEOT-HNNXBMFYSA-N 0 3 276.424 2.274 20 30 CEEDHN C[S@@](=O)C[C@@H](NCCCCC#N)c1ccccc1 ZINC000183117196 261963935 /nfs/dbraw/zinc/96/39/35/261963935.db2.gz CSBCNZUGNGVWKR-RDTXWAMCSA-N 0 3 264.394 2.390 20 30 CEEDHN C=CCOCCCN1CCCC[C@H]1COC(=O)NC1CC1 ZINC000497230216 262118437 /nfs/dbraw/zinc/11/84/37/262118437.db2.gz RSIAKUJOQGWTIS-HNNXBMFYSA-N 0 3 296.411 2.322 20 30 CEEDHN C=CCCOCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000120863474 262238877 /nfs/dbraw/zinc/23/88/77/262238877.db2.gz RKVGBIZIANQDFT-UHFFFAOYSA-N 0 3 280.324 2.286 20 30 CEEDHN C#CCOc1ccccc1CNCCCn1ccnc1 ZINC000020305167 262244880 /nfs/dbraw/zinc/24/48/80/262244880.db2.gz CYNRKDBFTWEURD-UHFFFAOYSA-N 0 3 269.348 2.075 20 30 CEEDHN C#CCOc1ccc(CN2CCOCC[C@H]2C)cc1 ZINC000367703322 262263274 /nfs/dbraw/zinc/26/32/74/262263274.db2.gz ITSHJIODXRBUFE-CQSZACIVSA-N 0 3 259.349 2.309 20 30 CEEDHN CC1CCN(CCNC(=O)c2cccc(F)c2C#N)CC1 ZINC000188254203 262287004 /nfs/dbraw/zinc/28/70/04/262287004.db2.gz PBDFGXWXSKXIHO-UHFFFAOYSA-N 0 3 289.354 2.159 20 30 CEEDHN C=CC[C@H](CO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000184745639 262297540 /nfs/dbraw/zinc/29/75/40/262297540.db2.gz YXKVVHSBSZVOEE-LLVKDONJSA-N 0 3 271.744 2.081 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NCC(=O)NC2CCCCC2)C1 ZINC000185815657 262309182 /nfs/dbraw/zinc/30/91/82/262309182.db2.gz YUHKQABRURPSMI-GXTWGEPZSA-N 0 3 263.385 2.107 20 30 CEEDHN C(#Cc1ccccc1)CN1CCN([C@@H]2CCSC2)CC1 ZINC000365262984 262356210 /nfs/dbraw/zinc/35/62/10/262356210.db2.gz BVCFVFLRALBUCC-QGZVFWFLSA-N 0 3 286.444 2.161 20 30 CEEDHN CN(Cc1cccc(OCCCC#N)c1)C1CC(O)C1 ZINC000355361208 262364473 /nfs/dbraw/zinc/36/44/73/262364473.db2.gz GXVNHQRXLREQIX-UHFFFAOYSA-N 0 3 274.364 2.324 20 30 CEEDHN C[C@H]1CN(CC(C)(C)CCC#N)C[C@]2(CCOC2)O1 ZINC000373491965 262370340 /nfs/dbraw/zinc/37/03/40/262370340.db2.gz AAHPPNCVOYTOOF-ZFWWWQNUSA-N 0 3 266.385 2.196 20 30 CEEDHN CC(C)(C#N)CCCN1CC[C@H](N2CCCC2=O)C1 ZINC000336798952 262396711 /nfs/dbraw/zinc/39/67/11/262396711.db2.gz GYFCXPVYPDECQO-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(CCN(C)C)CC(C)C)OCC ZINC000339344681 262630646 /nfs/dbraw/zinc/63/06/46/262630646.db2.gz RZFZUZBIVBOFPG-HNNXBMFYSA-N 0 3 284.444 2.404 20 30 CEEDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCCC(C)(C)C#N ZINC000275367557 263033257 /nfs/dbraw/zinc/03/32/57/263033257.db2.gz XIZYWSDDPYWAHS-ZFWWWQNUSA-N 0 3 290.411 2.396 20 30 CEEDHN CS[C@H](C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280277819 263059978 /nfs/dbraw/zinc/05/99/78/263059978.db2.gz YQIYUMLGKKKDSP-BXUZGUMPSA-N 0 3 287.388 2.108 20 30 CEEDHN CC1(C#N)CN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000280362560 263060542 /nfs/dbraw/zinc/06/05/42/263060542.db2.gz CYHUASNAURKDMV-UHFFFAOYSA-N 0 3 283.375 2.268 20 30 CEEDHN CC1(C#N)CN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000280475783 263062217 /nfs/dbraw/zinc/06/22/17/263062217.db2.gz NJOYVHNGTWXWIG-UHFFFAOYSA-N 0 3 297.402 2.271 20 30 CEEDHN N#CCSCCCN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289814915 263112225 /nfs/dbraw/zinc/11/22/25/263112225.db2.gz IYWXESYAKBAIMM-GFCCVEGCSA-N 0 3 284.816 2.430 20 30 CEEDHN C#Cc1ccc(CNCC[S@](=O)C(C)(C)C)cc1 ZINC000290230823 263115696 /nfs/dbraw/zinc/11/56/96/263115696.db2.gz FWJZVMBQDBDVHV-SFHVURJKSA-N 0 3 263.406 2.305 20 30 CEEDHN CN(C)CCN(Cc1cccs1)C(=O)CCCC#N ZINC000291964559 263126779 /nfs/dbraw/zinc/12/67/79/263126779.db2.gz RTYHVBDBRLAMFI-UHFFFAOYSA-N 0 3 279.409 2.332 20 30 CEEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)CCCC#N ZINC000292012881 263127288 /nfs/dbraw/zinc/12/72/88/263127288.db2.gz YJMTYFWXKXXQBH-AWEZNQCLSA-N 0 3 273.380 2.317 20 30 CEEDHN Cc1noc(C)c1C(C)(C)NCCOCCC#N ZINC000293577109 263143426 /nfs/dbraw/zinc/14/34/26/263143426.db2.gz NLBVHXQYOQQEDZ-UHFFFAOYSA-N 0 3 251.330 2.046 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(N3CCOCC3)c2)C1 ZINC000340434229 263145129 /nfs/dbraw/zinc/14/51/29/263145129.db2.gz GKWOIKWKOBWWGQ-GDBMZVCRSA-N 0 3 285.391 2.305 20 30 CEEDHN C=CCN(CCC#N)C(=O)[C@H](C(C)C)N1CCCCC1 ZINC000293902700 263152045 /nfs/dbraw/zinc/15/20/45/263152045.db2.gz RIIUJIIHNVNXDU-HNNXBMFYSA-N 0 3 277.412 2.425 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]2CF)cc1 ZINC000294141955 263156547 /nfs/dbraw/zinc/15/65/47/263156547.db2.gz QWHNQXHSLUYFQR-LSDHHAIUSA-N 0 3 285.322 2.201 20 30 CEEDHN N#CC[C@@H]1CC[C@H](NCc2cnn(-c3ccccc3)n2)C1 ZINC000295117413 263172561 /nfs/dbraw/zinc/17/25/61/263172561.db2.gz VZODZAPZBABLHD-KBPBESRZSA-N 0 3 281.363 2.439 20 30 CEEDHN CCC[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)OC ZINC000295434484 263177610 /nfs/dbraw/zinc/17/76/10/263177610.db2.gz NTHBMWKZVVYMGE-JKSUJKDBSA-N 0 3 299.374 2.172 20 30 CEEDHN CN(C)C(=O)C[C@@H](NCCCC#N)c1ccccc1 ZINC000341502704 263339728 /nfs/dbraw/zinc/33/97/28/263339728.db2.gz CPWUBJKPGOAPOW-CQSZACIVSA-N 0 3 259.353 2.099 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CCN(C)CC[C@@H]1C ZINC000341507952 263340226 /nfs/dbraw/zinc/34/02/26/263340226.db2.gz HOCBSPPOAHVHKB-STQMWFEESA-N 0 3 253.390 2.077 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1ccccc1NC(=O)[C@H](C)C#N ZINC000341475077 263341013 /nfs/dbraw/zinc/34/10/13/263341013.db2.gz FHYYKQOJFCMPKH-IJLUTSLNSA-N 0 3 298.346 2.122 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000342190572 263397532 /nfs/dbraw/zinc/39/75/32/263397532.db2.gz REQHEWZCJLKGTF-TZMCWYRMSA-N 0 3 265.401 2.077 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CC[C@@H]1CCCO1 ZINC000342603371 263460838 /nfs/dbraw/zinc/46/08/38/263460838.db2.gz MJWSODAXIDXQDO-CABCVRRESA-N 0 3 280.412 2.076 20 30 CEEDHN N#Cc1ccc(CN(CCO)C2CCSCC2)s1 ZINC000449682026 269961810 /nfs/dbraw/zinc/96/18/10/269961810.db2.gz FUSXAOHRFFWSFF-UHFFFAOYSA-N 0 3 282.434 2.310 20 30 CEEDHN C[C@@H](CNC(=O)Nc1cnc(C(C)(C)C)nc1)N(C)C ZINC000330438927 263952011 /nfs/dbraw/zinc/95/20/11/263952011.db2.gz SSUWOPNDDARPNG-JTQLQIEISA-N 0 3 279.388 2.050 20 30 CEEDHN C=CCN1CCC(NC(=O)NCc2scnc2C)CC1 ZINC000330636015 264001824 /nfs/dbraw/zinc/00/18/24/264001824.db2.gz AYLMFBQLUFJMJV-UHFFFAOYSA-N 0 3 294.424 2.106 20 30 CEEDHN Cc1ncc(C(=O)NCCN2CCCC(C)(C)C2)[nH]1 ZINC000330951933 264086667 /nfs/dbraw/zinc/08/66/67/264086667.db2.gz DZRHBJMGYSGTSM-UHFFFAOYSA-N 0 3 264.373 2.145 20 30 CEEDHN CCc1c(C(=O)NC2CCN(C)CC2)[nH]c(C)c1C(N)=O ZINC000331259550 264183785 /nfs/dbraw/zinc/18/37/85/264183785.db2.gz IWXJNWFXSXTJBV-UHFFFAOYSA-N 0 3 292.383 2.168 20 30 CEEDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN(C)C1 ZINC000331334335 264192602 /nfs/dbraw/zinc/19/26/02/264192602.db2.gz WPWAVZUYUCEEKV-LLVKDONJSA-N 0 3 277.324 2.160 20 30 CEEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000090182315 264391990 /nfs/dbraw/zinc/39/19/90/264391990.db2.gz FRZXTZSYSAUDAS-DZGCQCFKSA-N 0 3 298.386 2.113 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1nccn1C)C1CC1 ZINC000280948298 264453314 /nfs/dbraw/zinc/45/33/14/264453314.db2.gz XCKOUMDHQCCFIN-KFWWJZLASA-N 0 3 275.396 2.442 20 30 CEEDHN CCc1ccc(C#CC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000293459850 264943322 /nfs/dbraw/zinc/94/33/22/264943322.db2.gz LDLQPCJXTASPEY-QZTJIDSGSA-N 0 3 296.414 2.153 20 30 CEEDHN C#CCN(C)CCCNC(=O)C(C)(C)c1cccc(F)c1 ZINC000294064155 265005447 /nfs/dbraw/zinc/00/54/47/265005447.db2.gz VFHJZFDNESFCAP-UHFFFAOYSA-N 0 3 290.382 2.175 20 30 CEEDHN C#Cc1ccccc1CC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000294268830 265008473 /nfs/dbraw/zinc/00/84/73/265008473.db2.gz UEGGVZLZCUFUJT-IBGZPJMESA-N 0 3 296.414 2.155 20 30 CEEDHN N#CC1(NC(=O)CN[C@@H]2CCC[C@H]2c2ccccc2)CCC1 ZINC000525886367 265034507 /nfs/dbraw/zinc/03/45/07/265034507.db2.gz HWFBRXBVIRAYMU-JKSUJKDBSA-N 0 3 297.402 2.475 20 30 CEEDHN C=CCCC1(C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000356281246 266087171 /nfs/dbraw/zinc/08/71/71/266087171.db2.gz NXUMBKQEJMKLFK-HNNXBMFYSA-N 0 3 282.453 2.286 20 30 CEEDHN C=CCCC1(C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000356738820 266167228 /nfs/dbraw/zinc/16/72/28/266167228.db2.gz FDNKACKDFSLQNU-ZDUSSCGKSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCNC(=O)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000357047574 266238594 /nfs/dbraw/zinc/23/85/94/266238594.db2.gz JULREDNUXLIPGN-IAGOWNOFSA-N 0 3 299.418 2.336 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCCC1(O)CCC1 ZINC000357070628 266241967 /nfs/dbraw/zinc/24/19/67/266241967.db2.gz FTYCRUMBPRBCNQ-HNNXBMFYSA-N 0 3 286.375 2.180 20 30 CEEDHN C=CCN(C(=O)NC[C@@H]1CCCCN1CC)C1CC1 ZINC000357588865 266332510 /nfs/dbraw/zinc/33/25/10/266332510.db2.gz NYFJDYKOHPBHKB-AWEZNQCLSA-N 0 3 265.401 2.221 20 30 CEEDHN C[C@@H](C#N)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000357793755 266363146 /nfs/dbraw/zinc/36/31/46/266363146.db2.gz ICJBOMKOMGYJMF-DZGCQCFKSA-N 0 3 271.364 2.099 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C)(COC)CC1 ZINC000358739122 266491699 /nfs/dbraw/zinc/49/16/99/266491699.db2.gz BFKZBHFMEMVAAM-OAHLLOKOSA-N 0 3 294.439 2.324 20 30 CEEDHN CCO[C@H]1COCC[C@H]1NCc1ccc(CC#N)cc1 ZINC000362030240 266919788 /nfs/dbraw/zinc/91/97/88/266919788.db2.gz WSJMHJQXVKBKAE-CVEARBPZSA-N 0 3 274.364 2.036 20 30 CEEDHN CN1CCC(CC(=O)N[C@@H](C#N)c2ccccc2F)CC1 ZINC000362579239 267010434 /nfs/dbraw/zinc/01/04/34/267010434.db2.gz WMMZXSRPSUYCIP-HNNXBMFYSA-N 0 3 289.354 2.238 20 30 CEEDHN C=C[C@@H](C)NC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000362613160 267023260 /nfs/dbraw/zinc/02/32/60/267023260.db2.gz JORKOFCMXKWTJJ-CQSZACIVSA-N 0 3 287.407 2.133 20 30 CEEDHN CCN(C)C(=O)CCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425541303 267050398 /nfs/dbraw/zinc/05/03/98/267050398.db2.gz WNGQXMJJNXGRJH-CYBMUJFWSA-N 0 3 273.380 2.419 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1cnn(C)c1C ZINC000363153089 267077675 /nfs/dbraw/zinc/07/76/75/267077675.db2.gz KBOLQUGOUDZHIA-DZGCQCFKSA-N 0 3 263.385 2.193 20 30 CEEDHN C#CCCN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000367975879 267132018 /nfs/dbraw/zinc/13/20/18/267132018.db2.gz FCRPAWORRXIZQZ-UONOGXRCSA-N 0 3 278.396 2.199 20 30 CEEDHN CCO[C@H]1COCC[C@@H]1NCc1ccc(C#N)c(C)c1 ZINC000488084885 267156053 /nfs/dbraw/zinc/15/60/53/267156053.db2.gz HHDFKXYUXKAYHL-HOTGVXAUSA-N 0 3 274.364 2.150 20 30 CEEDHN C=CCCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000368667985 267195948 /nfs/dbraw/zinc/19/59/48/267195948.db2.gz UUJYGSVFMZWXTF-AWEZNQCLSA-N 0 3 256.365 2.281 20 30 CEEDHN C=CCCCN1CCCN(C(=O)c2ccccn2)CC1 ZINC000369404096 267240722 /nfs/dbraw/zinc/24/07/22/267240722.db2.gz OUKXEUJELDXIBS-UHFFFAOYSA-N 0 3 273.380 2.196 20 30 CEEDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(C#N)s1 ZINC000530675124 267282307 /nfs/dbraw/zinc/28/23/07/267282307.db2.gz KXAJJOOVQVYOSO-NSHDSACASA-N 0 3 277.393 2.176 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)c1ncc2c(c1C#N)CCC2 ZINC000425234558 267309135 /nfs/dbraw/zinc/30/91/35/267309135.db2.gz XUJCSULPENWOHW-ZDUSSCGKSA-N 0 3 284.407 2.220 20 30 CEEDHN CN(c1ccc(Cl)c(C#N)n1)[C@H]1CCN(C2CC2)C1 ZINC000486951636 267327527 /nfs/dbraw/zinc/32/75/27/267327527.db2.gz SSASHYCOSBRARA-NSHDSACASA-N 0 3 276.771 2.280 20 30 CEEDHN C#CCCN(C)[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000374909075 267822274 /nfs/dbraw/zinc/82/22/74/267822274.db2.gz GCIFJYYYBLUALK-AEFFLSMTSA-N 0 3 286.419 2.231 20 30 CEEDHN C[C@@H](NCCCC#N)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000376835238 268022405 /nfs/dbraw/zinc/02/24/05/268022405.db2.gz BVRAZFYBHCPIRY-WBVHZDCISA-N 0 3 287.407 2.169 20 30 CEEDHN Cc1ccc(NC[C@@H]2CCN2C2CCCC2)nc1C#N ZINC000528212832 268025660 /nfs/dbraw/zinc/02/56/60/268025660.db2.gz UJMQKDRDLUYQGM-AWEZNQCLSA-N 0 3 270.380 2.112 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2C[C@@H]3OCCC[C@@H]23)c(F)c1 ZINC000427700229 271238308 /nfs/dbraw/zinc/23/83/08/271238308.db2.gz YZKOGSBXXUOUMK-CFVMTHIKSA-N 0 3 260.312 2.354 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)c3cccn32)CCN1C ZINC000329878694 274397672 /nfs/dbraw/zinc/39/76/72/274397672.db2.gz LERAZPQJKGTYPO-BZPMIXESSA-N 0 3 289.379 2.445 20 30 CEEDHN N#Cc1c(N2CCN(C3CCCC3)CC2)nc2ccccn12 ZINC000272899859 274918262 /nfs/dbraw/zinc/91/82/62/274918262.db2.gz LSJONMIZJYHAMA-UHFFFAOYSA-N 0 3 295.390 2.271 20 30 CEEDHN C#Cc1ccc(CNC(=O)[C@@H](CC)N(CC)CC)cc1 ZINC000296448493 275387614 /nfs/dbraw/zinc/38/76/14/275387614.db2.gz OCPJNBIGGWEFKR-MRXNPFEDSA-N 0 3 272.392 2.405 20 30 CEEDHN CC[C@H](NCc1ccc(C#N)cc1)[C@H](O)C(F)F ZINC000295096111 276637737 /nfs/dbraw/zinc/63/77/37/276637737.db2.gz SBHBRUDSVFYTHT-RYUDHWBXSA-N 0 3 254.280 2.052 20 30 CEEDHN C=CC[C@H](CO)N[C@H]1CCCc2nc(C)sc21 ZINC000186719867 276910112 /nfs/dbraw/zinc/91/01/12/276910112.db2.gz MJFSPVNESSHPAX-PWSUYJOCSA-N 0 3 252.383 2.356 20 30 CEEDHN CNC(=O)[C@H]1CCC[C@H]1NCC#Cc1ccccc1Cl ZINC000348157990 277252336 /nfs/dbraw/zinc/25/23/36/277252336.db2.gz GRKNHZQUEZFXCP-DZGCQCFKSA-N 0 3 290.794 2.196 20 30 CEEDHN C[C@@H](NC[C@H]1CN(C2CC2)CCO1)c1ccc(C#N)cc1 ZINC000344301225 278355206 /nfs/dbraw/zinc/35/52/06/278355206.db2.gz RMVOCUGSVAUCOU-DYVFJYSZSA-N 0 3 285.391 2.072 20 30 CEEDHN CC[C@H](NC[C@@H](COC)OC)c1ccc(C#N)cc1 ZINC000278866848 288044058 /nfs/dbraw/zinc/04/40/58/288044058.db2.gz WQWQFGKCJLHAAO-GJZGRUSLSA-N 0 3 262.353 2.260 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CCCCC(=O)N1 ZINC000329869905 288114528 /nfs/dbraw/zinc/11/45/28/288114528.db2.gz ZNGDBCAKTLKDMH-WXHSDQCUSA-N 0 3 279.384 2.325 20 30 CEEDHN CC(C#N)C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000347449978 279180895 /nfs/dbraw/zinc/18/08/95/279180895.db2.gz NWFAEGXKEZCBGF-ILXRZTDVSA-N 0 3 285.391 2.267 20 30 CEEDHN CCN(CCN1CCCCCC1)C(=O)c1ccc(C#N)[nH]1 ZINC000331534374 279188236 /nfs/dbraw/zinc/18/82/36/279188236.db2.gz PUEDUKSYKGDJNP-UHFFFAOYSA-N 0 3 288.395 2.224 20 30 CEEDHN CC(C)(O)[C@H]1CCCN1Cc1ccc(C#N)c(F)c1 ZINC000192121438 280179167 /nfs/dbraw/zinc/17/91/67/280179167.db2.gz ZLUPJDJPOVGBPF-CQSZACIVSA-N 0 3 262.328 2.433 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CCN(C)CC[C@@H]1C ZINC000336611411 280315439 /nfs/dbraw/zinc/31/54/39/280315439.db2.gz BDDYXWPVAIUUNF-ZDUSSCGKSA-N 0 3 271.364 2.033 20 30 CEEDHN CCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(C#N)cc1)CC2 ZINC000118398327 281526557 /nfs/dbraw/zinc/52/65/57/281526557.db2.gz RNOCZNSRPQZQJG-DOMZBBRYSA-N 0 3 295.390 2.378 20 30 CEEDHN COC(=O)[C@H](C)CN(Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000156788154 289203093 /nfs/dbraw/zinc/20/30/93/289203093.db2.gz ZRKJMXPKCAZQQC-LLVKDONJSA-N 0 3 290.338 2.471 20 30 CEEDHN CC(C#N)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000336077049 289235539 /nfs/dbraw/zinc/23/55/39/289235539.db2.gz KQWSELMUYQAYLL-SECBINFHSA-N 0 3 293.164 2.493 20 30 CEEDHN CN1CCC2(CCCN2C(=O)Cc2cccc(C#N)c2)CC1 ZINC000535788210 298190488 /nfs/dbraw/zinc/19/04/88/298190488.db2.gz UOWLABROARQWLD-UHFFFAOYSA-N 0 3 297.402 2.188 20 30 CEEDHN C[C@@H]1C[C@H](C)N1CCC(=O)Nc1sccc1C#N ZINC000548096803 298393880 /nfs/dbraw/zinc/39/38/80/298393880.db2.gz YOCDTMDOAHXKJR-AOOOYVTPSA-N 0 3 263.366 2.431 20 30 CEEDHN Cc1ccc([C@H](CNc2ccncc2C#N)N(C)C)cc1 ZINC000548152524 298396433 /nfs/dbraw/zinc/39/64/33/298396433.db2.gz CPHBMZRKECNDKP-KRWDZBQOSA-N 0 3 280.375 2.398 20 30 CEEDHN COC[C@@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)C(C)C ZINC000544414575 313469181 /nfs/dbraw/zinc/46/91/81/313469181.db2.gz BEMHUVXQUSNCFH-IUODEOHRSA-N 0 3 289.379 2.146 20 30 CEEDHN CC(C)[C@@H](C)N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000573491168 314161901 /nfs/dbraw/zinc/16/19/01/314161901.db2.gz APKPUBWNBIZPEO-LLVKDONJSA-N 0 3 257.341 2.077 20 30 CEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1cccc(C#N)n1 ZINC000576277692 314259189 /nfs/dbraw/zinc/25/91/89/314259189.db2.gz NENZIKNCZVDNAB-OCCSQVGLSA-N 0 3 299.378 2.044 20 30 CEEDHN C[C@@H]1C[C@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)CO1 ZINC000577220521 314354042 /nfs/dbraw/zinc/35/40/42/314354042.db2.gz HSMPCSYYHMVLLJ-WBMJQRKESA-N 0 3 296.374 2.226 20 30 CEEDHN CO[C@@H]1COC[C@H]1N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000577492481 314382539 /nfs/dbraw/zinc/38/25/39/314382539.db2.gz PZUCHJKPQFUWDH-GVDBMIGSSA-N 0 3 286.375 2.329 20 30 CEEDHN CCO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cn1 ZINC000577527336 314387800 /nfs/dbraw/zinc/38/78/00/314387800.db2.gz NLMCKYSCBSPXNN-HUUCEWRRSA-N 0 3 259.353 2.391 20 30 CEEDHN CN(C)C(=O)[C@@H](Cc1ccccc1)N[C@H]1CCC[C@H](C#N)C1 ZINC000185815215 327846093 /nfs/dbraw/zinc/84/60/93/327846093.db2.gz XKABADNVRGXCNT-YESZJQIVSA-N 0 3 299.418 2.358 20 30 CEEDHN C#CC[C@@H](C)NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000366310300 328003225 /nfs/dbraw/zinc/00/32/25/328003225.db2.gz DAHWHDLNNLVMSO-WBVHZDCISA-N 0 3 299.418 2.220 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)OCC ZINC000339365260 328008498 /nfs/dbraw/zinc/00/84/98/328008498.db2.gz YPLIDOLLPBGXJU-KFWWJZLASA-N 0 3 282.428 2.156 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC2(C)CCC2)CC1 ZINC000160881217 328091298 /nfs/dbraw/zinc/09/12/98/328091298.db2.gz IBSBMHNYEFAIKK-UHFFFAOYSA-N 0 3 265.401 2.269 20 30 CEEDHN CC#CCN(C)CCC(=O)NCC1CCCCC1 ZINC000411766401 328099438 /nfs/dbraw/zinc/09/94/38/328099438.db2.gz BWNSNWMGMBRNCO-UHFFFAOYSA-N 0 3 250.386 2.028 20 30 CEEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2COC[C@@H]2OC)c([O-])c1 ZINC000290591042 328259727 /nfs/dbraw/zinc/25/97/27/328259727.db2.gz QOGXSTLUCDZRMM-KJJQJCSKSA-N 0 3 292.379 2.071 20 30 CEEDHN N#CCCOCCN1CC[C@H](COc2ccccc2)C1 ZINC000294688111 328282562 /nfs/dbraw/zinc/28/25/62/328282562.db2.gz SZTACQIOVOWGBN-HNNXBMFYSA-N 0 3 274.364 2.318 20 30 CEEDHN Cc1ccc(Cl)c(OC[C@H](O)CNCCCC#N)c1 ZINC000583020539 329298333 /nfs/dbraw/zinc/29/83/33/329298333.db2.gz IDHKJHFXJRWSDU-GFCCVEGCSA-N 0 3 282.771 2.282 20 30 CEEDHN Cc1cc(NC[C@@H]2N(C)CCCC2(C)C)c(C#N)cn1 ZINC000581067780 322366266 /nfs/dbraw/zinc/36/62/66/322366266.db2.gz NEYXSNTZUCDCTR-HNNXBMFYSA-N 0 3 272.396 2.216 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc(F)c2F)CC1 ZINC000049387937 328356786 /nfs/dbraw/zinc/35/67/86/328356786.db2.gz VXXKBUXKWPYQNN-UHFFFAOYSA-N 0 3 278.302 2.249 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cc2ccccc2[nH]c1=O ZINC000341289383 328404663 /nfs/dbraw/zinc/40/46/63/328404663.db2.gz GWLPWAPUAAUDNB-GFCCVEGCSA-N 0 3 272.348 2.215 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC[C@@H]2F)cc1 ZINC000558030105 327046592 /nfs/dbraw/zinc/04/65/92/327046592.db2.gz GZURIYFKUUXTOD-SOUVJXGZSA-N 0 3 285.322 2.247 20 30 CEEDHN Cc1ccc(OC[C@@H](O)CNCC(C)(C)CC#N)cc1 ZINC000584167612 327055031 /nfs/dbraw/zinc/05/50/31/327055031.db2.gz APJYQUQBSUNJMQ-AWEZNQCLSA-N 0 3 276.380 2.264 20 30 CEEDHN C=CCNC(=O)CN(C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000152941427 327302056 /nfs/dbraw/zinc/30/20/56/327302056.db2.gz QDRIBNAKXMAQAO-UYSNPLJNSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000154895177 327387432 /nfs/dbraw/zinc/38/74/32/327387432.db2.gz FKSQIIHJTRNDKN-INIZCTEOSA-N 0 3 287.407 2.478 20 30 CEEDHN C#CCOc1ccc(CN[C@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000172068693 329080741 /nfs/dbraw/zinc/08/07/41/329080741.db2.gz AZHFYNBBHPGPIG-RBUKOAKNSA-N 0 3 293.366 2.447 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)Nc1cc(C#N)ncn1 ZINC000393747896 329089228 /nfs/dbraw/zinc/08/92/28/329089228.db2.gz LQSMAYYVOZDSQQ-CYBMUJFWSA-N 0 3 281.363 2.281 20 30 CEEDHN CCS[C@H]1CC[C@@H](N(C)CC(=O)N(CC)CCC#N)C1 ZINC000174349517 329157592 /nfs/dbraw/zinc/15/75/92/329157592.db2.gz VZMVEHMYWJAXCG-KGLIPLIRSA-N 0 3 297.468 2.355 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2CCO[C@H](CCC)C2)CC1 ZINC000183676761 329249379 /nfs/dbraw/zinc/24/93/79/329249379.db2.gz ZNPPEQMTDREPAU-GOEBONIOSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCO[C@H](CCC)C2)CC1 ZINC000183676733 329249419 /nfs/dbraw/zinc/24/94/19/329249419.db2.gz ZNPPEQMTDREPAU-GDBMZVCRSA-N 0 3 294.439 2.348 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)c1cccc(CN(C)C)c1 ZINC000183841948 329253415 /nfs/dbraw/zinc/25/34/15/329253415.db2.gz PBGXGLHHCVPOLR-AWEZNQCLSA-N 0 3 259.353 2.170 20 30 CEEDHN CC(C)OC(=O)C[C@H]1CCCN(CCCC#N)C1 ZINC000184478184 329260424 /nfs/dbraw/zinc/26/04/24/329260424.db2.gz CHYYACFMDNBPNL-CYBMUJFWSA-N 0 3 252.358 2.344 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N(C)CCN(C)C1CC1 ZINC000185628595 329328078 /nfs/dbraw/zinc/32/80/78/329328078.db2.gz HBXMXCOJWMHYFG-ZDUSSCGKSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCCC[C@@H](C)NCc1cn(C)nc1C(=O)OCC ZINC000186393582 329343825 /nfs/dbraw/zinc/34/38/25/329343825.db2.gz KZPZTBUVWGMBMK-GFCCVEGCSA-N 0 3 279.384 2.431 20 30 CEEDHN N#CCC1CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000397178890 329346049 /nfs/dbraw/zinc/34/60/49/329346049.db2.gz XCSWVFDXFWJLTI-QGZVFWFLSA-N 0 3 288.391 2.190 20 30 CEEDHN C[C@@H]1c2c(F)cccc2CCN1C(=O)[C@H](N)CCCC#N ZINC000520794621 329764956 /nfs/dbraw/zinc/76/49/56/329764956.db2.gz HALANENOMIOAGQ-BXUZGUMPSA-N 0 3 289.354 2.293 20 30 CEEDHN C=CCOc1ccc(CN[C@H](C)COC)cc1OC ZINC000072659476 329858467 /nfs/dbraw/zinc/85/84/67/329858467.db2.gz NODLOIJWUYEGEJ-GFCCVEGCSA-N 0 3 265.353 2.385 20 30 CEEDHN C[C@H](C#N)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000248446883 329893556 /nfs/dbraw/zinc/89/35/56/329893556.db2.gz HDMWEGSYCASEBS-RBSFLKMASA-N 0 3 279.428 2.110 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000248830188 329900273 /nfs/dbraw/zinc/90/02/73/329900273.db2.gz HDLWQAALWWRNMK-JMGFVUJMSA-N 0 3 256.349 2.317 20 30 CEEDHN C#CCOc1ccccc1CNCCCc1nc(C)no1 ZINC000264358324 330061248 /nfs/dbraw/zinc/06/12/48/330061248.db2.gz HCRFXXJIVVNPNN-UHFFFAOYSA-N 0 3 285.347 2.112 20 30 CEEDHN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCCN1C ZINC000421710148 330069365 /nfs/dbraw/zinc/06/93/65/330069365.db2.gz JCCVKCJURJQOBW-AWEZNQCLSA-N 0 3 250.386 2.307 20 30 CEEDHN CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C(C)C ZINC000580722515 330139760 /nfs/dbraw/zinc/13/97/60/330139760.db2.gz AAKOVBLGCSRXJV-AWEZNQCLSA-N 0 3 253.390 2.161 20 30 CEEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1F ZINC000424065412 330219276 /nfs/dbraw/zinc/21/92/76/330219276.db2.gz LIGUWDHLMQJOKZ-NOZJJQNGSA-N 0 3 281.306 2.163 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000424069673 330219795 /nfs/dbraw/zinc/21/97/95/330219795.db2.gz QFVSZLISLBVIRL-HUUCEWRRSA-N 0 3 271.364 2.371 20 30 CEEDHN COc1c(Cl)cccc1NC(=O)[C@@H](N)CCCC#N ZINC000424082273 330223745 /nfs/dbraw/zinc/22/37/45/330223745.db2.gz LGEHDYQUZCFAHU-JTQLQIEISA-N 0 3 281.743 2.308 20 30 CEEDHN CN(CC(=O)NC1(C#N)CCC1)C1CCCCCC1 ZINC000527135441 330225705 /nfs/dbraw/zinc/22/57/05/330225705.db2.gz ZESNPHCVWBKJHO-UHFFFAOYSA-N 0 3 263.385 2.203 20 30 CEEDHN CCOc1cccc([C@@H](C)NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424096182 330227245 /nfs/dbraw/zinc/22/72/45/330227245.db2.gz BMQQSAIIOUQTCN-DOMZBBRYSA-N 0 3 289.379 2.284 20 30 CEEDHN CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424098916 330230598 /nfs/dbraw/zinc/23/05/98/330230598.db2.gz UQPFBWHWLVVZMH-FRRDWIJNSA-N 0 3 251.374 2.093 20 30 CEEDHN CC(C)Oc1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000424105848 330234461 /nfs/dbraw/zinc/23/44/61/330234461.db2.gz WVOFEHTXMALFIY-LBPRGKRZSA-N 0 3 275.352 2.433 20 30 CEEDHN CC[C@@]1(C)CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424123252 330255349 /nfs/dbraw/zinc/25/53/49/330255349.db2.gz KRHFPWHHQRUTFR-OCCSQVGLSA-N 0 3 251.374 2.046 20 30 CEEDHN Cc1cccc([C@H](C)CNC(=O)[C@@H](N)CCCC#N)c1 ZINC000424125585 330258794 /nfs/dbraw/zinc/25/87/94/330258794.db2.gz OCZUNFXSAUMMNA-HIFRSBDPSA-N 0 3 273.380 2.236 20 30 CEEDHN CCCCCn1nc(C)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424126158 330258880 /nfs/dbraw/zinc/25/88/80/330258880.db2.gz OPBOAJRPGGIEBT-ZDUSSCGKSA-N 0 3 291.399 2.341 20 30 CEEDHN CC(C)(CNC(=O)[C@H](N)CCCC#N)c1cccc(F)c1 ZINC000424132289 330264188 /nfs/dbraw/zinc/26/41/88/330264188.db2.gz WDYRRXHDVJKCGQ-CQSZACIVSA-N 0 3 291.370 2.241 20 30 CEEDHN CC1(C)Cc2cc(NC(=O)[C@@H](N)CCCC#N)ccc2O1 ZINC000424132834 330265303 /nfs/dbraw/zinc/26/53/03/330265303.db2.gz YJKZREJQZAGWRT-ZDUSSCGKSA-N 0 3 287.363 2.360 20 30 CEEDHN CCCCO[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCCC#N)C1(C)C ZINC000424148355 330295129 /nfs/dbraw/zinc/29/51/29/330295129.db2.gz FGFXQSSLWLJDTR-BFHYXJOUSA-N 0 3 295.427 2.108 20 30 CEEDHN CCO[C@@H]1C[C@@H](NC(=O)[C@H](N)CCCC#N)C1(CC)CC ZINC000424159711 330306172 /nfs/dbraw/zinc/30/61/72/330306172.db2.gz VMLLPJOGQNEALH-MGPQQGTHSA-N 0 3 295.427 2.108 20 30 CEEDHN CCO[C@@H]1C[C@H](NC(=O)[C@H](N)CCCC#N)C1(CC)CC ZINC000424159704 330306179 /nfs/dbraw/zinc/30/61/79/330306179.db2.gz VMLLPJOGQNEALH-HZSPNIEDSA-N 0 3 295.427 2.108 20 30 CEEDHN CCC(C)(C)[C@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424179024 330318457 /nfs/dbraw/zinc/31/84/57/330318457.db2.gz YAOHOAUJNVHHAP-QWHCGFSZSA-N 0 3 265.401 2.435 20 30 CEEDHN Cc1cc(NC(=O)[C@H](N)CCCC#N)c(C)c(C)c1O ZINC000424180090 330318650 /nfs/dbraw/zinc/31/86/50/330318650.db2.gz NEZJTSGSZPWKOS-GFCCVEGCSA-N 0 3 275.352 2.277 20 30 CEEDHN Cc1cc(CN)cc(NC(=O)N(C)CC(C)(C)C#N)c1 ZINC000424422100 330351554 /nfs/dbraw/zinc/35/15/54/330351554.db2.gz DLLKNXIJMBZLHK-UHFFFAOYSA-N 0 3 274.368 2.467 20 30 CEEDHN Cc1cc(CN)cc(NC(=O)N(C)[C@@H](C)CC#N)c1 ZINC000424434529 330352014 /nfs/dbraw/zinc/35/20/14/330352014.db2.gz KCWDDRWXFLZMGW-NSHDSACASA-N 0 3 260.341 2.220 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(C)noc1C ZINC000435749413 330660846 /nfs/dbraw/zinc/66/08/46/330660846.db2.gz UAZPERQXSMHYDN-TZMCWYRMSA-N 0 3 250.342 2.362 20 30 CEEDHN COC(=O)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1OC ZINC000442833415 330786038 /nfs/dbraw/zinc/78/60/38/330786038.db2.gz BVOUYQBSZBXWOB-DGCLKSJQSA-N 0 3 288.347 2.264 20 30 CEEDHN COCC[C@@]1(NCC#Cc2cccc(Cl)c2)CCOC1 ZINC000447381433 330865878 /nfs/dbraw/zinc/86/58/78/330865878.db2.gz HIBSLZSANZBFBE-MRXNPFEDSA-N 0 3 293.794 2.477 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN[C@H](CO)[C@@H]1CCCO1 ZINC000447908727 330879900 /nfs/dbraw/zinc/87/99/00/330879900.db2.gz VIYHMOSOYINVDS-CVEARBPZSA-N 0 3 288.391 2.117 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc2c(C)cccn12 ZINC000449548567 330935597 /nfs/dbraw/zinc/93/55/97/330935597.db2.gz OPFBLJHSGUFSTD-CABCVRRESA-N 0 3 271.364 2.466 20 30 CEEDHN C=CCC1(C(=O)NC2CCN(CCOC)CC2)CCCC1 ZINC000449807589 330950935 /nfs/dbraw/zinc/95/09/35/330950935.db2.gz WIQHEGJGJQZGQR-UHFFFAOYSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CCCCCCN1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451669297 331038186 /nfs/dbraw/zinc/03/81/86/331038186.db2.gz XUFNKSKQVWFDLV-GASCZTMLSA-N 0 3 254.418 2.120 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)[C@H](C)CC(C)C ZINC000451677801 331038779 /nfs/dbraw/zinc/03/87/79/331038779.db2.gz VQUHXSFYYHNDGU-KFWWJZLASA-N 0 3 282.428 2.203 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451868347 331045490 /nfs/dbraw/zinc/04/54/90/331045490.db2.gz DNBSVNKYERHKBG-STQMWFEESA-N 0 3 294.361 2.130 20 30 CEEDHN CC(C)(C#N)CCN1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451893002 331046446 /nfs/dbraw/zinc/04/64/46/331046446.db2.gz QHBYDYPSNSSTRH-ZJUUUORDSA-N 0 3 264.291 2.171 20 30 CEEDHN CCN(CCC#N)C(=O)CN1[C@H](C)CCC1(C)C ZINC000452005068 331050072 /nfs/dbraw/zinc/05/00/72/331050072.db2.gz IWZAXXGOILEZOG-GFCCVEGCSA-N 0 3 251.374 2.011 20 30 CEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)[C@]1(C#N)C[C@H]1C ZINC000452345349 331062926 /nfs/dbraw/zinc/06/29/26/331062926.db2.gz QPRDCTJWZJDVGJ-YCPHGPKFSA-N 0 3 277.412 2.163 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CCCO)C2)CCCC1 ZINC000452374925 331063465 /nfs/dbraw/zinc/06/34/65/331063465.db2.gz LNULYLUQSFMXEZ-OAHLLOKOSA-N 0 3 294.439 2.086 20 30 CEEDHN C[C@H](C(=O)N[C@H]1CC[C@@H](CC#N)C1)N1[C@H](C)CC[C@@H]1C ZINC000452560541 331068979 /nfs/dbraw/zinc/06/89/79/331068979.db2.gz FAQLSJGEXQWQPM-SEBNEYGDSA-N 0 3 277.412 2.446 20 30 CEEDHN C=C(CC)CN[C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000453381274 331125672 /nfs/dbraw/zinc/12/56/72/331125672.db2.gz XLIJHVKWHPWFPP-HNNXBMFYSA-N 0 3 294.420 2.267 20 30 CEEDHN C=CC(C)(C)CNC(=O)NCCN1CCC[C@H](C)C1 ZINC000454327764 331144209 /nfs/dbraw/zinc/14/42/09/331144209.db2.gz UFWUPYGXIYQYND-ZDUSSCGKSA-N 0 3 267.417 2.230 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC2CC(C)(F)C2)CC1 ZINC000454467092 331146758 /nfs/dbraw/zinc/14/67/58/331146758.db2.gz QVHRDWBZNQLCER-UHFFFAOYSA-N 0 3 283.391 2.217 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC(CF)CC2)CC1 ZINC000454529630 331148090 /nfs/dbraw/zinc/14/80/90/331148090.db2.gz ANHKTGLFXPZWBW-UHFFFAOYSA-N 0 3 283.391 2.028 20 30 CEEDHN C=C(CC)CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000455522161 331171860 /nfs/dbraw/zinc/17/18/60/331171860.db2.gz MAIMNNIKKJGTAB-CQSZACIVSA-N 0 3 265.401 2.222 20 30 CEEDHN C=CCN1CCC(NC(=O)c2[nH]ccc2C2CC2)CC1 ZINC000457543737 331226460 /nfs/dbraw/zinc/22/64/60/331226460.db2.gz ORDCOJNSAAYSNY-UHFFFAOYSA-N 0 3 273.380 2.272 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000457723073 331232391 /nfs/dbraw/zinc/23/23/91/331232391.db2.gz DENGAZIXAIKVDE-BZUAXINKSA-N 0 3 294.439 2.347 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)CC#CC)C(C)C ZINC000457749935 331233256 /nfs/dbraw/zinc/23/32/56/331233256.db2.gz OGGNSYNTMUOTHC-MRXNPFEDSA-N 0 3 291.439 2.350 20 30 CEEDHN CC(C)C[C@H](CN(C)C)NC(=O)NCC(C)(C)CC#N ZINC000457794983 331234550 /nfs/dbraw/zinc/23/45/50/331234550.db2.gz DFNAGTGGYXTNKX-CYBMUJFWSA-N 0 3 282.432 2.202 20 30 CEEDHN C[C@@H](CNC(=O)NCC(C)(C)CC#N)N1CCC(C)CC1 ZINC000458043038 331241519 /nfs/dbraw/zinc/24/15/19/331241519.db2.gz GVBVGZCIMLQKAB-AWEZNQCLSA-N 0 3 294.443 2.346 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC(C(C)(C)C)C2)CC1 ZINC000458335306 331249336 /nfs/dbraw/zinc/24/93/36/331249336.db2.gz OCEIPOBZVLUESK-UHFFFAOYSA-N 0 3 279.428 2.324 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458744763 331258848 /nfs/dbraw/zinc/25/88/48/331258848.db2.gz WREZVABZLUCSBW-ZIAGYGMSSA-N 0 3 279.428 2.467 20 30 CEEDHN CC#CCN(C)C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000458785081 331259840 /nfs/dbraw/zinc/25/98/40/331259840.db2.gz YPPMEKUBHNQHPG-UONOGXRCSA-N 0 3 291.395 2.374 20 30 CEEDHN C=C(CC)CNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000459088823 331269933 /nfs/dbraw/zinc/26/99/33/331269933.db2.gz XXYJXKHCPIOAGJ-UHFFFAOYSA-N 0 3 279.384 2.319 20 30 CEEDHN C=C(CC)CNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000459092769 331270068 /nfs/dbraw/zinc/27/00/68/331270068.db2.gz NJKNWDOCVCEQHW-ZDUSSCGKSA-N 0 3 253.390 2.077 20 30 CEEDHN C=C[C@@H](CO)N[C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC000459557856 331287750 /nfs/dbraw/zinc/28/77/50/331287750.db2.gz FDMSXRPBNVFXBB-LCGIIJARSA-N 0 3 293.432 2.461 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1C[C@H](OC)C12CCC2 ZINC000459748051 331298043 /nfs/dbraw/zinc/29/80/43/331298043.db2.gz GGSGWIJQRIFTCR-KKUMJFAQSA-N 0 3 292.423 2.123 20 30 CEEDHN CC[C@@H](CNC(=O)C(C)C#N)Oc1ccccc1C ZINC000488624554 332020432 /nfs/dbraw/zinc/02/04/32/332020432.db2.gz SBSNILBKRGEYDH-STQMWFEESA-N 0 3 260.337 2.428 20 30 CEEDHN CC[C@H](CNC(=O)C(C)C#N)Oc1ccccc1C ZINC000488624551 332020443 /nfs/dbraw/zinc/02/04/43/332020443.db2.gz SBSNILBKRGEYDH-CHWSQXEVSA-N 0 3 260.337 2.428 20 30 CEEDHN C=C[C@@H]1CCCCN1CCC(=O)N1CCCCC1 ZINC000489402982 332050226 /nfs/dbraw/zinc/05/02/26/332050226.db2.gz MSMAJYNETXKVNL-CQSZACIVSA-N 0 3 250.386 2.430 20 30 CEEDHN C#CCN(C(=O)NCC1(N(C)C)CCC1)C1CCCC1 ZINC000490721662 332109178 /nfs/dbraw/zinc/10/91/78/332109178.db2.gz XYNAFOKDZTYBOC-UHFFFAOYSA-N 0 3 277.412 2.058 20 30 CEEDHN C#CCN1CCC(C(=O)NCc2cccc3cc[nH]c32)CC1 ZINC000490740005 332110863 /nfs/dbraw/zinc/11/08/63/332110863.db2.gz LZFCGXDDFPHQCP-UHFFFAOYSA-N 0 3 295.386 2.129 20 30 CEEDHN C#C[C@H](CCC)NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000491240545 332171785 /nfs/dbraw/zinc/17/17/85/332171785.db2.gz AOJHPPRWJYQERB-XJFOESAGSA-N 0 3 250.386 2.166 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000491255874 332175848 /nfs/dbraw/zinc/17/58/48/332175848.db2.gz YMMAQLIEOVPOPI-KGLIPLIRSA-N 0 3 250.386 2.169 20 30 CEEDHN C#CCN(C)CCCNC(=S)Nc1ccc(F)cc1 ZINC000491441818 332212721 /nfs/dbraw/zinc/21/27/21/332212721.db2.gz YCOXCBJIUUVMJM-UHFFFAOYSA-N 0 3 279.384 2.067 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](CCC)C(C)C ZINC000491463517 332216335 /nfs/dbraw/zinc/21/63/35/332216335.db2.gz NOBSPUDDYSICCD-CQSZACIVSA-N 0 3 252.402 2.130 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC1(c2ccccc2)CCC1 ZINC000491554256 332236756 /nfs/dbraw/zinc/23/67/56/332236756.db2.gz HNUDUPQIZYLYIX-UHFFFAOYSA-N 0 3 299.418 2.320 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000491643285 332262288 /nfs/dbraw/zinc/26/22/88/332262288.db2.gz FBMGGXUHGKOUIV-INIZCTEOSA-N 0 3 287.407 2.349 20 30 CEEDHN C#CCN(C[C@@H](O)CN(C)C1CC1)[C@H]1CCc2ccccc21 ZINC000491689155 332286689 /nfs/dbraw/zinc/28/66/89/332286689.db2.gz GVMCMMFURVHGPC-HKUYNNGSSA-N 0 3 298.430 2.064 20 30 CEEDHN C#CCN1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000491759700 332331072 /nfs/dbraw/zinc/33/10/72/332331072.db2.gz OABKCJRYQIYLKY-ZDUSSCGKSA-N 0 3 266.385 2.246 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](C)CC1CCCC1 ZINC000491774032 332340059 /nfs/dbraw/zinc/34/00/59/332340059.db2.gz SLOTYGBHNCTOKQ-CQSZACIVSA-N 0 3 264.413 2.274 20 30 CEEDHN C=CCOCCCN1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000492201138 332386964 /nfs/dbraw/zinc/38/69/64/332386964.db2.gz OBNSUTFKBSOFJI-UONOGXRCSA-N 0 3 298.427 2.424 20 30 CEEDHN C=CCC[C@H](C)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000575802109 335116564 /nfs/dbraw/zinc/11/65/64/335116564.db2.gz DDPYZYQEEWRPFO-STQMWFEESA-N 0 3 295.404 2.166 20 30 CEEDHN C#C[C@@H](NC[C@H](O)COc1ccc(Cl)cc1)C(C)C ZINC000311287815 333066745 /nfs/dbraw/zinc/06/67/45/333066745.db2.gz NFBHJQNIRBDFHY-DZGCQCFKSA-N 0 3 281.783 2.327 20 30 CEEDHN C#CCN1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000178066201 333067361 /nfs/dbraw/zinc/06/73/61/333067361.db2.gz AFQKLPCMDFLAGK-UHFFFAOYSA-N 0 3 296.411 2.015 20 30 CEEDHN N#CCC[C@@H](C#N)CNCCCn1cnc2ccccc21 ZINC000516988767 333088939 /nfs/dbraw/zinc/08/89/39/333088939.db2.gz RYXUBDGSTLKBQU-AWEZNQCLSA-N 0 3 281.363 2.460 20 30 CEEDHN C#CCN1CCC(C(=O)NC2(Cc3ccccc3)CC2)CC1 ZINC000186263038 333157594 /nfs/dbraw/zinc/15/75/94/333157594.db2.gz JDBSGBZMPJSDAQ-UHFFFAOYSA-N 0 3 296.414 2.223 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000190735665 333210241 /nfs/dbraw/zinc/21/02/41/333210241.db2.gz XJQYJAIVNYMSCH-KGLIPLIRSA-N 0 3 298.427 2.303 20 30 CEEDHN C#CCN(C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000191139847 333215957 /nfs/dbraw/zinc/21/59/57/333215957.db2.gz PZONMBDRGWYFTK-HNNXBMFYSA-N 0 3 288.366 2.129 20 30 CEEDHN C=CCSCCNC(=O)c1ccc(CN(C)C)cc1 ZINC000194605384 333273081 /nfs/dbraw/zinc/27/30/81/333273081.db2.gz AJRZGXFVVHMQNB-UHFFFAOYSA-N 0 3 278.421 2.397 20 30 CEEDHN C=CCN1CCC(NC(=O)C(C#N)(CC)CC)CC1 ZINC000528447195 333438480 /nfs/dbraw/zinc/43/84/80/333438480.db2.gz DYGFFDMQXWZPJE-UHFFFAOYSA-N 0 3 263.385 2.083 20 30 CEEDHN Cc1nn(C)c2ncc(CN3CCC(CC#N)CC3)cc12 ZINC000540991758 333757212 /nfs/dbraw/zinc/75/72/12/333757212.db2.gz NUMMVGWQXPTLEA-UHFFFAOYSA-N 0 3 283.379 2.402 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000547393896 334085388 /nfs/dbraw/zinc/08/53/88/334085388.db2.gz HOMHEMCVQHOJPK-NEPJUHHUSA-N 0 3 264.325 2.491 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]2CCC[C@H]21 ZINC000245455388 334194472 /nfs/dbraw/zinc/19/44/72/334194472.db2.gz SOMXDLOALJZZSJ-QLFBSQMISA-N 0 3 277.412 2.259 20 30 CEEDHN CC(C)(CC#N)CNC(=O)Nc1cccc2c1CCNC2 ZINC000565647188 334583523 /nfs/dbraw/zinc/58/35/23/334583523.db2.gz MRQVHUCKEMJXKU-UHFFFAOYSA-N 0 3 286.379 2.394 20 30 CEEDHN N#CC1(c2ccccn2)CCN(Cc2ncccc2O)CC1 ZINC000576503784 335212021 /nfs/dbraw/zinc/21/20/21/335212021.db2.gz JWWHCFWYFGSLSJ-UHFFFAOYSA-N 0 3 294.358 2.240 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@H](c1ccccc1)C1CC1 ZINC000192510952 335270671 /nfs/dbraw/zinc/27/06/71/335270671.db2.gz SWCIPKDUMAQGLA-IUODEOHRSA-N 0 3 258.365 2.418 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000581053421 336001251 /nfs/dbraw/zinc/00/12/51/336001251.db2.gz KVOTVWLLTBVLJZ-JKJDWNRSSA-N 0 3 294.439 2.251 20 30 CEEDHN C[C@@H](CN(C)C)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000354516342 533733941 /nfs/dbraw/zinc/73/39/41/533733941.db2.gz SVBIWKUIIFWBSS-DZGCQCFKSA-N 0 3 288.395 2.281 20 30 CEEDHN C#CCOc1ccccc1CN1CCC(C)(CO)CC1 ZINC000184074107 518332681 /nfs/dbraw/zinc/33/26/81/518332681.db2.gz ANFBJYUQJAYKDP-UHFFFAOYSA-N 0 3 273.376 2.293 20 30 CEEDHN C=CC[C@H](CO)NCc1ccccc1Br ZINC000184276678 519119013 /nfs/dbraw/zinc/11/90/13/519119013.db2.gz JAWVCTVOUXTSJG-LLVKDONJSA-N 0 3 270.170 2.476 20 30 CEEDHN Cc1sc(CNC(=O)C(C)C#N)nc1C(C)C ZINC000347110220 534605844 /nfs/dbraw/zinc/60/58/44/534605844.db2.gz QMTFKHUUYZBTPN-QMMMGPOBSA-N 0 3 251.355 2.351 20 30 CEEDHN CC[C@@H](C)N1CCN(Cc2ccccc2C#N)CC1 ZINC000055066332 522126287 /nfs/dbraw/zinc/12/62/87/522126287.db2.gz YQQLFZNHAKXHQH-CQSZACIVSA-N 0 3 257.381 2.474 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC(c2nc[nH]n2)CC1 ZINC000156708993 523521556 /nfs/dbraw/zinc/52/15/56/523521556.db2.gz XEDMBQDLKGCSPC-UHFFFAOYSA-N 0 3 297.362 2.065 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(F)c(C#N)c2)CCN1C ZINC000278734674 525416190 /nfs/dbraw/zinc/41/61/90/525416190.db2.gz DHVSVCMFSKCGLW-BXUZGUMPSA-N 0 3 289.354 2.252 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCC2(F)CCC2)CC1 ZINC000345032947 526433175 /nfs/dbraw/zinc/43/31/75/526433175.db2.gz YELJMIMKBQVHND-UHFFFAOYSA-N 0 3 283.391 2.218 20 30 CEEDHN C=C(C)CN(C)CCN1CCN(Cc2ccccc2)CC1 ZINC000352722609 526501937 /nfs/dbraw/zinc/50/19/37/526501937.db2.gz AWAKNUVLHIMTLB-UHFFFAOYSA-N 0 3 287.451 2.312 20 30 CEEDHN C=C(C)CN(CCc1cnn(C)c1)Cc1ccc(CO)o1 ZINC000352793917 526553081 /nfs/dbraw/zinc/55/30/81/526553081.db2.gz QTQPSUUCONWRDM-UHFFFAOYSA-N 0 3 289.379 2.126 20 30 CEEDHN C=CCNC(=O)CN[C@@H](CC)c1cccc(OC)c1 ZINC000347338828 526572439 /nfs/dbraw/zinc/57/24/39/526572439.db2.gz NCBMWYSJINFKSE-AWEZNQCLSA-N 0 3 262.353 2.038 20 30 CEEDHN C=CCNC(=O)CN[C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353272095 526572952 /nfs/dbraw/zinc/57/29/52/526572952.db2.gz NWWPYZJHJLCNGD-HNNXBMFYSA-N 0 3 288.391 2.309 20 30 CEEDHN C=CCNC(=O)C(C)S(=O)(=O)C(CCC)CCC ZINC000350219057 526627285 /nfs/dbraw/zinc/62/72/85/526627285.db2.gz KXIAYGHTGCVULO-LLVKDONJSA-N 0 3 275.414 2.061 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344616658 526762500 /nfs/dbraw/zinc/76/25/00/526762500.db2.gz NNKZBRSNHYCCFE-KKUMJFAQSA-N 0 3 294.439 2.204 20 30 CEEDHN C=C(CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000353637982 526873115 /nfs/dbraw/zinc/87/31/15/526873115.db2.gz MGIOBBWKXFIPIJ-GOEBONIOSA-N 0 3 287.407 2.482 20 30 CEEDHN C=CC(C)(C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000294619413 526946853 /nfs/dbraw/zinc/94/68/53/526946853.db2.gz OXZKSCVAHYQYPK-UHFFFAOYSA-N 0 3 290.407 2.455 20 30 CEEDHN C=CCCC1(C(=O)NC2CCN(CC)CC2)CC1 ZINC000353792424 527087181 /nfs/dbraw/zinc/08/71/81/527087181.db2.gz MTXJNULBPVWGFY-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCCCCCN1CCN([C@H](CC)C(=O)OC)CC1 ZINC000352656699 527134067 /nfs/dbraw/zinc/13/40/67/527134067.db2.gz CIHVJFPWWLWAEW-OAHLLOKOSA-N 0 3 282.428 2.302 20 30 CEEDHN C=C[C@H](CO)NC/C(C)=C/c1ccccc1COC ZINC000353577078 527592415 /nfs/dbraw/zinc/59/24/15/527592415.db2.gz RLKYPEYFVUCIMI-LRFDDAOPSA-N 0 3 261.365 2.373 20 30 CEEDHN CCN1CCN(c2ccccc2CN(CC#N)C2CC2)CC1 ZINC000352740840 527711869 /nfs/dbraw/zinc/71/18/69/527711869.db2.gz ASCQCOMYFAOLMA-UHFFFAOYSA-N 0 3 298.434 2.316 20 30 CEEDHN CC1(C[NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)CCCC1 ZINC000330187639 527900803 /nfs/dbraw/zinc/90/08/03/527900803.db2.gz KOCXQEFUDIVVSH-GFCCVEGCSA-N 0 3 276.384 2.282 20 30 CEEDHN CCCN(CCN1CCCC1)C(=O)NCC(C)(C)C#N ZINC000355094023 528079567 /nfs/dbraw/zinc/07/95/67/528079567.db2.gz DOOJQCONIIWWDM-UHFFFAOYSA-N 0 3 280.416 2.054 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)NC[C@H](C)N1CCCCC1=O ZINC000330075705 528219489 /nfs/dbraw/zinc/21/94/89/528219489.db2.gz GMSKNDZOKSHQOQ-UONOGXRCSA-N 0 3 295.427 2.218 20 30 CEEDHN CC[NH+]1CCC(CCNC(=O)c2csc(=O)[n-]2)CC1 ZINC000329956454 528960468 /nfs/dbraw/zinc/96/04/68/528960468.db2.gz PODLEHYVEDCXLM-UHFFFAOYSA-N 0 3 283.397 2.275 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)N(C)C[C@H](C)C#N ZINC000347476003 529200502 /nfs/dbraw/zinc/20/05/02/529200502.db2.gz AVDGQNIVOOVSGQ-KGLIPLIRSA-N 0 3 280.416 2.052 20 30 CEEDHN CC(C)N(C(=S)NCCN(C)C)c1cccc(C#N)c1 ZINC000749769550 575233678 /nfs/dbraw/zinc/23/36/78/575233678.db2.gz YNAIXHDVVCDGHU-UHFFFAOYSA-N 0 3 290.436 2.209 20 30 CEEDHN Cc1cc(CNCc2ccc(N(C)CCC#N)cc2)n[nH]1 ZINC000738431792 574451512 /nfs/dbraw/zinc/45/15/12/574451512.db2.gz YPIZGVCNIIKMFZ-UHFFFAOYSA-N 0 3 283.379 2.358 20 30 CEEDHN C#Cc1ccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)cn1 ZINC000728866049 574473020 /nfs/dbraw/zinc/47/30/20/574473020.db2.gz WSFUTTLLBFPLOD-QGZVFWFLSA-N 0 3 297.402 2.153 20 30 CEEDHN C=CCOc1ccc(CN[C@@H]2CCN(C)C2)cc1OC ZINC000729682552 574490787 /nfs/dbraw/zinc/49/07/87/574490787.db2.gz UOSIPYBWWLPFNE-CQSZACIVSA-N 0 3 276.380 2.054 20 30 CEEDHN C#Cc1ccc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cn1 ZINC000730787772 574576724 /nfs/dbraw/zinc/57/67/24/574576724.db2.gz WCQWKIDVHZNQNL-KBPBESRZSA-N 0 3 285.391 2.056 20 30 CEEDHN CC(N=Nc1ccc(F)cn1)c1csc(N)n1 ZINC000731317821 574593885 /nfs/dbraw/zinc/59/38/85/574593885.db2.gz DTRFHYBKLLWWNL-UHFFFAOYSA-N 0 3 251.290 2.096 20 30 CEEDHN C=C(C)CNC(=S)N(C)[C@@H]1CCN(CC)C[C@@H]1C ZINC000741488698 574600649 /nfs/dbraw/zinc/60/06/49/574600649.db2.gz MDLJCBWHWWZMHP-QWHCGFSZSA-N 0 3 269.458 2.099 20 30 CEEDHN C#CCOc1ccc(CNCCOCC(F)(F)F)cc1 ZINC000733322263 574663960 /nfs/dbraw/zinc/66/39/60/574663960.db2.gz FFXIBNKZSOPEAQ-UHFFFAOYSA-N 0 3 287.281 2.367 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cnn(C)c3)nc21 ZINC000735788341 574766629 /nfs/dbraw/zinc/76/66/29/574766629.db2.gz DWHSZKDYJCFNHH-LBPRGKRZSA-N 0 3 293.330 2.024 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000736669034 574794304 /nfs/dbraw/zinc/79/43/04/574794304.db2.gz QYXKZCKDLDLLFF-LBPRGKRZSA-N 0 3 271.364 2.403 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000740737223 574967053 /nfs/dbraw/zinc/96/70/53/574967053.db2.gz GDWAEHXINHORLC-UHFFFAOYSA-N 0 3 298.386 2.107 20 30 CEEDHN C[C@@H]1CC(N=Nc2nc3ccccc3[nH]2)CCN1C ZINC000741454320 574987209 /nfs/dbraw/zinc/98/72/09/574987209.db2.gz ZUNVZLAOTJKATE-SNVBAGLBSA-N 0 3 257.341 2.445 20 30 CEEDHN C#CCCCNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000742788480 575033728 /nfs/dbraw/zinc/03/37/28/575033728.db2.gz PCOZEUCQTNBXLI-AWEZNQCLSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CCCCNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000743101976 575043113 /nfs/dbraw/zinc/04/31/13/575043113.db2.gz CBDSRLWEOKHYQZ-UHFFFAOYSA-N 0 3 289.379 2.162 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000743489366 575105182 /nfs/dbraw/zinc/10/51/82/575105182.db2.gz GRKKEAQIBNHRCD-UHFFFAOYSA-N 0 3 295.386 2.385 20 30 CEEDHN C#CCCN1CCC(NC(=O)CC2=CCCCC2)CC1 ZINC000743492032 575105413 /nfs/dbraw/zinc/10/54/13/575105413.db2.gz NLAFPSSDYWFHCC-UHFFFAOYSA-N 0 3 274.408 2.481 20 30 CEEDHN CC[C@@H](OC)C(=O)C(C#N)c1nc2ccccc2n1C ZINC000744929224 575129282 /nfs/dbraw/zinc/12/92/82/575129282.db2.gz BIRKUNVWQQKKEW-ZWNOBZJWSA-N 0 3 271.320 2.175 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000746247066 575152670 /nfs/dbraw/zinc/15/26/70/575152670.db2.gz FHEBYJOYPREUKS-UGFHNGPFSA-N 0 3 290.338 2.400 20 30 CEEDHN C=CCCCC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000748313925 575183099 /nfs/dbraw/zinc/18/30/99/575183099.db2.gz SFPWDIRCVDGJHI-HNNXBMFYSA-N 0 3 280.412 2.102 20 30 CEEDHN CC(=NN[C@H](C)CO)c1ccc(N2CCCCC2)cc1 ZINC000749820124 575235757 /nfs/dbraw/zinc/23/57/57/575235757.db2.gz AUZSFRJNECQUBE-CYBMUJFWSA-N 0 3 275.396 2.371 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)CCCc1ccc(C)s1 ZINC000751151132 575283472 /nfs/dbraw/zinc/28/34/72/575283472.db2.gz GKFHQYHGZFQIPJ-CYBMUJFWSA-N 0 3 290.388 2.390 20 30 CEEDHN COc1cccc(CC(=Nn2cnnc2)C2CC2)c1 ZINC000752713799 575313584 /nfs/dbraw/zinc/31/35/84/575313584.db2.gz VNGTTXIZGZTSML-UHFFFAOYSA-N 0 3 256.309 2.144 20 30 CEEDHN C=C(CN(C)C)C(=O)N[C@@H](COC)c1cccc(Cl)c1 ZINC000752924657 575316446 /nfs/dbraw/zinc/31/64/46/575316446.db2.gz CDTSVCSZPVQONQ-AWEZNQCLSA-N 0 3 296.798 2.262 20 30 CEEDHN C#C[C@@H](CC)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000753124151 575320137 /nfs/dbraw/zinc/32/01/37/575320137.db2.gz AJJITLKKYQHUAJ-HOCLYGCPSA-N 0 3 287.407 2.218 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C2/CC[C@@H](C)C2)CC1 ZINC000753627729 575332868 /nfs/dbraw/zinc/33/28/68/575332868.db2.gz VWZHKWQPLCDCCR-JNINTMOKSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCOCCN[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000753762881 575340396 /nfs/dbraw/zinc/34/03/96/575340396.db2.gz ZVUAOLFVQQEHGW-CQSZACIVSA-N 0 3 286.375 2.114 20 30 CEEDHN C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734283 599377361 /nfs/dbraw/zinc/37/73/61/599377361.db2.gz KXKACYFAHRAXEW-MNOVXSKESA-N 0 3 257.341 2.482 20 30 CEEDHN C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734283 599377362 /nfs/dbraw/zinc/37/73/62/599377362.db2.gz KXKACYFAHRAXEW-MNOVXSKESA-N 0 3 257.341 2.482 20 30 CEEDHN C=CCC[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823899559 608530524 /nfs/dbraw/zinc/53/05/24/608530524.db2.gz YDNLEXODEBRONB-UHFFFAOYSA-N 0 3 255.325 2.022 20 30 CEEDHN C=CCC[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823899559 608530526 /nfs/dbraw/zinc/53/05/26/608530526.db2.gz YDNLEXODEBRONB-UHFFFAOYSA-N 0 3 255.325 2.022 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](CC)Cc2ccccc2C)C1 ZINC000970483199 612962319 /nfs/dbraw/zinc/96/23/19/612962319.db2.gz HYSOYRSTBFAUBF-FUHWJXTLSA-N 0 3 298.430 2.387 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc3c(cccc3C)o2)C1 ZINC000970831113 612965152 /nfs/dbraw/zinc/96/51/52/612965152.db2.gz QKCMOKAYGGJTRP-CYBMUJFWSA-N 0 3 282.343 2.179 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cccc3ccccc32)C1 ZINC000970626787 612966353 /nfs/dbraw/zinc/96/63/53/612966353.db2.gz OHUDBNCRBUDECE-OAHLLOKOSA-N 0 3 278.355 2.277 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc(F)ccc2F)C1 ZINC000969846462 612994751 /nfs/dbraw/zinc/99/47/51/612994751.db2.gz WTKFXKKEFFBCQV-LLVKDONJSA-N 0 3 292.329 2.038 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2c(F)cccc2F)C1 ZINC000970796461 612997211 /nfs/dbraw/zinc/99/72/11/612997211.db2.gz RJWYQGFTEDEGAW-NSHDSACASA-N 0 3 292.329 2.038 20 30 CEEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1ccco1 ZINC000968726759 613001067 /nfs/dbraw/zinc/00/10/67/613001067.db2.gz ARNBAWNYKPHSKZ-CQSZACIVSA-N 0 3 274.364 2.277 20 30 CEEDHN C#CCCN1CCCN(C(=O)Cc2ccccc2CC)CC1 ZINC000981433754 613003236 /nfs/dbraw/zinc/00/32/36/613003236.db2.gz XLDJKWCXBRGBLL-UHFFFAOYSA-N 0 3 298.430 2.349 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC000968274661 613015574 /nfs/dbraw/zinc/01/55/74/613015574.db2.gz MIXBAIFRCNARDS-DGCLKSJQSA-N 0 3 293.798 2.132 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(CC)ccn2)C1 ZINC000966323877 613015853 /nfs/dbraw/zinc/01/58/53/613015853.db2.gz IWLJWQBJWASFNA-RHSMWYFYSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccoc2C)C1 ZINC000964933928 613016350 /nfs/dbraw/zinc/01/63/50/613016350.db2.gz JHJSTIGQOAKUNT-IUODEOHRSA-N 0 3 274.364 2.052 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC000967280388 613022628 /nfs/dbraw/zinc/02/26/28/613022628.db2.gz XSPLTNGUCVJWGU-WMZOPIPTSA-N 0 3 298.430 2.387 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)Cc2ccsc2)C1 ZINC000964834791 613024510 /nfs/dbraw/zinc/02/45/10/613024510.db2.gz HBSYPCPLTZVHLY-DZGCQCFKSA-N 0 3 290.432 2.141 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2coc(C)c2)C1 ZINC000965951467 613025376 /nfs/dbraw/zinc/02/53/76/613025376.db2.gz GBMAINKUKYMDNI-SWLSCSKDSA-N 0 3 274.364 2.052 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000974657992 613031845 /nfs/dbraw/zinc/03/18/45/613031845.db2.gz ULMDZIDTFBWPDP-QWHCGFSZSA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cccn2CC=C)C(C)(C)C1 ZINC000974686990 613032931 /nfs/dbraw/zinc/03/29/31/613032931.db2.gz CCBYDKFBYSZCSO-MRXNPFEDSA-N 0 3 299.418 2.138 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC000974965611 613037026 /nfs/dbraw/zinc/03/70/26/613037026.db2.gz ZUJPOAHXDAUPNC-AWEZNQCLSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000974657980 613037456 /nfs/dbraw/zinc/03/74/56/613037456.db2.gz ULMDZIDTFBWPDP-OLZOCXBDSA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)[C@H]2Cc3ccccc32)C(C)(C)C1 ZINC000974995567 613037860 /nfs/dbraw/zinc/03/78/60/613037860.db2.gz MOEWSCRLLAKPNX-IRXDYDNUSA-N 0 3 296.414 2.176 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)[C@H](C)c2ccco2)C(C)(C)C1 ZINC000975033480 613037988 /nfs/dbraw/zinc/03/79/88/613037988.db2.gz DOFJASZHEFXTPB-HIFRSBDPSA-N 0 3 288.391 2.233 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)[nH]c2C)C(C)(C)C1 ZINC000975082902 613038385 /nfs/dbraw/zinc/03/83/85/613038385.db2.gz JIAKCJCTUGFCDZ-HNNXBMFYSA-N 0 3 287.407 2.095 20 30 CEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C1C=CC=CC=C1 ZINC000968877135 613145490 /nfs/dbraw/zinc/14/54/90/613145490.db2.gz 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C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2sccc2F)C1 ZINC001025405797 627680425 /nfs/dbraw/zinc/68/04/25/627680425.db2.gz WQUVSKJIYSTUGC-NEPJUHHUSA-N 0 3 294.395 2.351 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2C=CC=CC=C2)C1 ZINC001025430665 627691296 /nfs/dbraw/zinc/69/12/96/627691296.db2.gz HAKIUQDRTODUJR-DOTOQJQBSA-N 0 3 284.403 2.135 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(CC)o2)C1 ZINC001025459360 627705456 /nfs/dbraw/zinc/70/54/56/627705456.db2.gz MHSGQJYGDUZCCD-ZIAGYGMSSA-N 0 3 288.391 2.306 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccncc2CC)C1 ZINC001025465230 627710451 /nfs/dbraw/zinc/71/04/51/627710451.db2.gz TYAMJQUAIWDTTG-GOEBONIOSA-N 0 3 299.418 2.108 20 30 CEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccnc2C)C1 ZINC001025525430 627733130 /nfs/dbraw/zinc/73/31/30/627733130.db2.gz ODPUGZMHXQHVJS-ZBFHGGJFSA-N 0 3 299.418 2.244 20 30 CEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C2CC3(CC3)C2)C1 ZINC001025527259 627734651 /nfs/dbraw/zinc/73/46/51/627734651.db2.gz 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CCCCCCCCCNC(=O)NC[C@H]1CNCCO1 ZINC000841660623 628751112 /nfs/dbraw/zinc/75/11/12/628751112.db2.gz SIRSVCAMMLAVDH-CQSZACIVSA-N 0 3 285.432 2.025 20 30 CEEDHN C=CCCOCCNCc1cnc2onc(C)c2c1 ZINC000894365293 629396214 /nfs/dbraw/zinc/39/62/14/629396214.db2.gz BOBFPHHTRUQSPH-UHFFFAOYSA-N 0 3 261.325 2.214 20 30 CEEDHN C#C[C@H](CC)NCc1[nH]cc(C(=O)OC)c1C1CC1 ZINC000894387680 629420603 /nfs/dbraw/zinc/42/06/03/629420603.db2.gz TUQLXJQTUZEIGQ-LLVKDONJSA-N 0 3 260.337 2.180 20 30 CEEDHN Cn1ccnc1[C@H]1CCN(Cc2csc(C#N)c2)C1 ZINC000894485734 629487648 /nfs/dbraw/zinc/48/76/48/629487648.db2.gz YLSTUHKGNQNHRX-LBPRGKRZSA-N 0 3 272.377 2.343 20 30 CEEDHN C#C[C@H](N[C@H]1CCC2(C[C@@H]1F)OCCO2)C(C)(C)C ZINC000894518065 629509389 /nfs/dbraw/zinc/50/93/89/629509389.db2.gz VRMFLDCFFCZFAX-AVGNSLFASA-N 0 3 269.360 2.258 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](CF)C1 ZINC000880295373 629659123 /nfs/dbraw/zinc/65/91/23/629659123.db2.gz KMNXNTPEBSMIKQ-STQMWFEESA-N 0 3 256.365 2.091 20 30 CEEDHN C[C@@]1(c2ccccc2)CCCN(CC(=O)NCCC#N)CC1 ZINC000796201610 629806321 /nfs/dbraw/zinc/80/63/21/629806321.db2.gz MEMMGXKVIHMOOV-GOSISDBHSA-N 0 3 299.418 2.460 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CCSC)CC1 ZINC000077663074 629850067 /nfs/dbraw/zinc/85/00/67/629850067.db2.gz PEIJVLIJFMEHIZ-ZDUSSCGKSA-N 0 3 299.484 2.468 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(COC)cc2)CC1 ZINC000195259817 629914565 /nfs/dbraw/zinc/91/45/65/629914565.db2.gz ZWKCEVXEUFFRRM-UHFFFAOYSA-N 0 3 286.375 2.117 20 30 CEEDHN N#CC(C(=O)CCC(F)F)C(=O)NCc1ccccc1 ZINC000796632264 629948584 /nfs/dbraw/zinc/94/85/84/629948584.db2.gz JJOBLPFPHYWTLD-LLVKDONJSA-N 0 3 280.274 2.057 20 30 CEEDHN CNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000796642726 629954551 /nfs/dbraw/zinc/95/45/51/629954551.db2.gz GRSLWKPSJXPHEW-XHDPSFHLSA-N 0 3 296.326 2.062 20 30 CEEDHN C[C@H](C[NH2+][C@@H]1CCCN([O-])C1=O)c1cc(F)cc(F)c1 ZINC000895159071 629976063 /nfs/dbraw/zinc/97/60/63/629976063.db2.gz RMKBEVUZGOXANG-NOZJJQNGSA-N 0 3 284.306 2.038 20 30 CEEDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)CCCN1[O-] ZINC000895159407 629976714 /nfs/dbraw/zinc/97/67/14/629976714.db2.gz VFEXWPRUTGAWGB-SMDDNHRTSA-N 0 3 294.782 2.167 20 30 CEEDHN O=C1[C@H]([NH2+][C@H]2CCCC23CCCCC3)CCCN1[O-] ZINC000895159614 629977316 /nfs/dbraw/zinc/97/73/16/629977316.db2.gz WJFFFYSYYRZDEX-OLZOCXBDSA-N 0 3 266.385 2.459 20 30 CEEDHN C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895162396 629982382 /nfs/dbraw/zinc/98/23/82/629982382.db2.gz YTEAMANXPIJWFD-SMDDNHRTSA-N 0 3 280.343 2.117 20 30 CEEDHN COC(=O)[C@@H]1CN(Cc2csc(C#N)c2)C[C@H]1C1CC1 ZINC000895187657 630021327 /nfs/dbraw/zinc/02/13/27/630021327.db2.gz WQNKFTHNWTZBBC-UONOGXRCSA-N 0 3 290.388 2.251 20 30 CEEDHN C[C@@H](NC[C@H](O)c1ccccc1)c1cc(C#N)ccn1 ZINC000902723073 634793986 /nfs/dbraw/zinc/79/39/86/634793986.db2.gz LBULTFZSBMOMJV-WBMJQRKESA-N 0 3 267.332 2.337 20 30 CEEDHN N#Cc1cccc(CNC[C@@H]2CCC3(CCC3)CO2)n1 ZINC000895806428 630356140 /nfs/dbraw/zinc/35/61/40/630356140.db2.gz AQGKVVOCSUUYFK-HNNXBMFYSA-N 0 3 271.364 2.392 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000895947589 630410683 /nfs/dbraw/zinc/41/06/83/630410683.db2.gz JZPNDQUVMGCGKL-ZIAGYGMSSA-N 0 3 279.428 2.467 20 30 CEEDHN C#CCC1(O)CCN(Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000896026109 630440107 /nfs/dbraw/zinc/44/01/07/630440107.db2.gz YNXCYRPNNOFOAG-UHFFFAOYSA-N 0 3 289.423 2.431 20 30 CEEDHN CSc1ccc(CN[C@H](C)COC(C)=O)cc1C#N ZINC000896046501 630446349 /nfs/dbraw/zinc/44/63/49/630446349.db2.gz SESIZSUHWGVDEO-SNVBAGLBSA-N 0 3 278.377 2.321 20 30 CEEDHN C#Cc1ccc(CN2CC[C@@H](C(=O)OCC)C2)cc1 ZINC000896960635 630840759 /nfs/dbraw/zinc/84/07/59/630840759.db2.gz NNEODUKWIKWEOH-OAHLLOKOSA-N 0 3 257.333 2.053 20 30 CEEDHN CC#CCN(C)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000897169596 630972569 /nfs/dbraw/zinc/97/25/69/630972569.db2.gz QPQISEUWGUFSQS-CZUORRHYSA-N 0 3 278.396 2.199 20 30 CEEDHN C=CCN1CC[C@@H](NC(C)(C)c2ccc(F)cc2)C1=O ZINC000799135821 630985606 /nfs/dbraw/zinc/98/56/06/630985606.db2.gz QIIDRJFUBPMJJL-CQSZACIVSA-N 0 3 276.355 2.437 20 30 CEEDHN CC1(C)CCN(CCNc2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000897249425 631016996 /nfs/dbraw/zinc/01/69/96/631016996.db2.gz TVPHSPHRXCKJDU-UHFFFAOYSA-N 0 3 289.339 2.005 20 30 CEEDHN N#C[C@@H]1CC[C@H](NC[C@@H](O)c2c(F)cccc2F)C1 ZINC000799719957 631069657 /nfs/dbraw/zinc/06/96/57/631069657.db2.gz FJPCOKVEWMMSGB-GBIKHYSHSA-N 0 3 266.291 2.280 20 30 CEEDHN Cc1ccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1C#N ZINC000799719698 631069887 /nfs/dbraw/zinc/06/98/87/631069887.db2.gz VGAAIQKZZLKSLX-ZDUSSCGKSA-N 0 3 283.375 2.247 20 30 CEEDHN CC(C)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC000985997511 631199744 /nfs/dbraw/zinc/19/97/44/631199744.db2.gz OETJGVHAAUXXHM-FZMZJTMJSA-N 0 3 291.420 2.355 20 30 CEEDHN N#Cc1cccc(COC(=O)C2CCN(C3CC3)CC2)c1 ZINC000801874225 631347372 /nfs/dbraw/zinc/34/73/72/631347372.db2.gz NCEGLYINXRLPAE-UHFFFAOYSA-N 0 3 284.359 2.476 20 30 CEEDHN C[C@@H](C#N)OCCN1CC[C@H](CC(F)(F)F)C1 ZINC000801950836 631370143 /nfs/dbraw/zinc/37/01/43/631370143.db2.gz OMQVBFBRQQOJDV-VHSXEESVSA-N 0 3 250.264 2.189 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(C)c(F)cc2F)C1 ZINC000989025583 631716533 /nfs/dbraw/zinc/71/65/33/631716533.db2.gz BYWCVBPEHPWERZ-NEPJUHHUSA-N 0 3 292.329 2.099 20 30 CEEDHN N#CC[C@@H](O)CN1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000929102098 631736705 /nfs/dbraw/zinc/73/67/05/631736705.db2.gz OHHWXAJALPTNSC-ZIAGYGMSSA-N 0 3 294.782 2.458 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cnc3ccsc3c2)C1 ZINC000989299115 631770461 /nfs/dbraw/zinc/77/04/61/631770461.db2.gz GRVJVQFTQFPKHK-WCQYABFASA-N 0 3 299.399 2.122 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897581248 631796717 /nfs/dbraw/zinc/79/67/17/631796717.db2.gz KVKHJVFUJXWVJN-XJKSGUPXSA-N 0 3 288.391 2.214 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000876069150 650040630 /nfs/dbraw/zinc/04/06/30/650040630.db2.gz NWDZHXQVXGZJKM-RDJZCZTQSA-N 0 3 299.418 2.232 20 30 CEEDHN CO[C@@H]1CCOC[C@H]1NCc1ccc(C2(C#N)CC2)cc1 ZINC000897888430 631962415 /nfs/dbraw/zinc/96/24/15/631962415.db2.gz APFQVJMMGLRFOH-HZPDHXFCSA-N 0 3 286.375 2.135 20 30 CEEDHN C=CCOc1cccc(CN[C@@H]2COCC[C@H]2OC)c1 ZINC000897891873 631964066 /nfs/dbraw/zinc/96/40/66/631964066.db2.gz VNJGERQXICSIPX-HZPDHXFCSA-N 0 3 277.364 2.145 20 30 CEEDHN C[C@H](C#N)OCCN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000810047400 632173577 /nfs/dbraw/zinc/17/35/77/632173577.db2.gz CLKBEHNGHWIHLQ-RHSMWYFYSA-N 0 3 286.375 2.385 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc(F)c2Cl)C1 ZINC000989480073 632183584 /nfs/dbraw/zinc/18/35/84/632183584.db2.gz HSJKSUVLGPRRID-MNOVXSKESA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc(C)c2Cl)C1 ZINC000989569454 632205407 /nfs/dbraw/zinc/20/54/07/632205407.db2.gz TZGAIYZKWVZUNN-CHWSQXEVSA-N 0 3 290.794 2.474 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000989698811 632226227 /nfs/dbraw/zinc/22/62/27/632226227.db2.gz BGJLOMBVXJXHPE-KLHDSHLOSA-N 0 3 276.424 2.415 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3[nH]ccc3s2)C1 ZINC000989730846 632231608 /nfs/dbraw/zinc/23/16/08/632231608.db2.gz QRMAICYCRREKPM-MNOVXSKESA-N 0 3 287.388 2.055 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000989780224 632242344 /nfs/dbraw/zinc/24/23/44/632242344.db2.gz ZSHSYJWSGRYMRB-CXAGYDPISA-N 0 3 282.387 2.001 20 30 CEEDHN C=CC[N@@H+]1CC[C@]2(NC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC000989960435 632290818 /nfs/dbraw/zinc/29/08/18/632290818.db2.gz IMYGVADQHPEHJA-NVXWUHKLSA-N 0 3 286.375 2.305 20 30 CEEDHN C=CC[N@H+]1CC[C@]2(NC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC000989960435 632290821 /nfs/dbraw/zinc/29/08/21/632290821.db2.gz IMYGVADQHPEHJA-NVXWUHKLSA-N 0 3 286.375 2.305 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)C3CC=CC3)CCC[C@H]12 ZINC000990093429 632310852 /nfs/dbraw/zinc/31/08/52/632310852.db2.gz AOOXGUVNMKKRAK-GOEBONIOSA-N 0 3 260.381 2.252 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3cnccc3C)CCC[C@@H]12 ZINC000990121637 632317075 /nfs/dbraw/zinc/31/70/75/632317075.db2.gz RAWOGMAVLWMPQL-NVXWUHKLSA-N 0 3 285.391 2.303 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3cc[nH]c3CC)CCC[C@H]12 ZINC000990512374 632373638 /nfs/dbraw/zinc/37/36/38/632373638.db2.gz FXVXDTJNYOZHFM-WMZOPIPTSA-N 0 3 299.418 2.327 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H]3C[C@@H]3C(F)F)CCC[C@H]12 ZINC000990519867 632376513 /nfs/dbraw/zinc/37/65/13/632376513.db2.gz ZJSWUZFQNFWDEQ-WFGGJUAMSA-N 0 3 296.361 2.024 20 30 CEEDHN CCC(=NNC[C@H](O)CC)c1ccc(N(C)C)cc1 ZINC000811653098 632414099 /nfs/dbraw/zinc/41/40/99/632414099.db2.gz GLTLZFXXKZNJOW-CQSZACIVSA-N 0 3 263.385 2.227 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000811993013 632474304 /nfs/dbraw/zinc/47/43/04/632474304.db2.gz PFLZHDCVOSCDEQ-BBRMVZONSA-N 0 3 287.407 2.173 20 30 CEEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCCC#N ZINC000813059799 632612240 /nfs/dbraw/zinc/61/22/40/632612240.db2.gz IFYIIVHCJJUJSI-GFCCVEGCSA-N 0 3 299.330 2.427 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)CCCC#N ZINC000813058730 632612356 /nfs/dbraw/zinc/61/23/56/632612356.db2.gz LRQCVKVNIGXXPH-LBPRGKRZSA-N 0 3 263.341 2.086 20 30 CEEDHN COC(=O)c1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1C ZINC000899379960 632821561 /nfs/dbraw/zinc/82/15/61/632821561.db2.gz DMGNFODBMZJIMQ-SRMXYGTFSA-N 0 3 297.314 2.214 20 30 CEEDHN CC1/C(=C\c2cnn(C3CCC3)c2)C(=O)c2ncnn21 ZINC000899381733 632822864 /nfs/dbraw/zinc/82/28/64/632822864.db2.gz SCTWCEYGONMJJT-NRIUJFNNSA-N 0 3 269.308 2.041 20 30 CEEDHN C#CCN[C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814660294 632876415 /nfs/dbraw/zinc/87/64/15/632876415.db2.gz CXGSZKXINHNZJB-LBPRGKRZSA-N 0 3 258.321 2.317 20 30 CEEDHN C(=Nn1cnnc1-c1ccccc1)[C@@H]1CCCOC1 ZINC000814778855 632894536 /nfs/dbraw/zinc/89/45/36/632894536.db2.gz AWGKAAAKCJUWCY-LBPRGKRZSA-N 0 3 256.309 2.206 20 30 CEEDHN CCC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccco1 ZINC000814885832 632914327 /nfs/dbraw/zinc/91/43/27/632914327.db2.gz KWIRFHLBRQRKDK-RYUDHWBXSA-N 0 3 260.341 2.254 20 30 CEEDHN C=CCC(F)(F)C(=O)N(CCN(C)C)CC(C)C ZINC000815438479 633019005 /nfs/dbraw/zinc/01/90/05/633019005.db2.gz DGERZNDNZIAPHT-UHFFFAOYSA-N 0 3 262.344 2.244 20 30 CEEDHN N#CC(C(=O)CC1(C#N)CC1)c1nc2ccccc2[nH]1 ZINC000815897688 633075424 /nfs/dbraw/zinc/07/54/24/633075424.db2.gz DOQSIFQLXDHNBD-SNVBAGLBSA-N 0 3 264.288 2.433 20 30 CEEDHN C[C@@H](O)CC(C)(C)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902872552 634865477 /nfs/dbraw/zinc/86/54/77/634865477.db2.gz JIDKVMWFNSRDJJ-VXGBXAGGSA-N 0 3 261.369 2.401 20 30 CEEDHN C#Cc1ccc(CN[C@@H]2C[C@@H](OCC)[C@H]2n2cccn2)cc1 ZINC000816672941 633461711 /nfs/dbraw/zinc/46/17/11/633461711.db2.gz NVNHQLREZYGCDE-KURKYZTESA-N 0 3 295.386 2.373 20 30 CEEDHN C[C@H](C#N)OCCN1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000817279709 633618141 /nfs/dbraw/zinc/61/81/41/633618141.db2.gz SYBNQQFRYHITTE-MGPQQGTHSA-N 0 3 296.411 2.357 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(C(C)(C)C)cn1 ZINC000817606032 633705830 /nfs/dbraw/zinc/70/58/30/633705830.db2.gz IJXGMQHEMBJRJF-UHFFFAOYSA-N 0 3 287.407 2.064 20 30 CEEDHN CC(C)CC1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000818160630 633875456 /nfs/dbraw/zinc/87/54/56/633875456.db2.gz MKPKPZBPJNEKFW-CQSZACIVSA-N 0 3 265.401 2.292 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000818612030 633959415 /nfs/dbraw/zinc/95/94/15/633959415.db2.gz LGKBTCRTHPQHKH-GJZGRUSLSA-N 0 3 264.413 2.274 20 30 CEEDHN CC(=NN[C@@H]1CCCC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000901343063 634058099 /nfs/dbraw/zinc/05/80/99/634058099.db2.gz VCHILZPNPVMEOS-HZPDHXFCSA-N 0 3 275.396 2.370 20 30 CEEDHN OCCN1CCC(N=Nc2c(F)cccc2Cl)CC1 ZINC000819812830 634270123 /nfs/dbraw/zinc/27/01/23/634270123.db2.gz PTQORWWJHXIFAD-UHFFFAOYSA-N 0 3 285.750 2.335 20 30 CEEDHN Cc1cc(C(C#N)C(=O)C=C[C@H]2CCCO2)nc(C)n1 ZINC000819941330 634292088 /nfs/dbraw/zinc/29/20/88/634292088.db2.gz KETMLUIVCWCLAA-QLQVPFRHSA-N 0 3 271.320 2.005 20 30 CEEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccc1)n1cccn1 ZINC000819945874 634293600 /nfs/dbraw/zinc/29/36/00/634293600.db2.gz XCBLQGSOFNUWEV-TZMCWYRMSA-N 0 3 296.330 2.182 20 30 CEEDHN COc1cccc([C@@H](O)CN[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902799159 634839315 /nfs/dbraw/zinc/83/93/15/634839315.db2.gz AIHCEANAEMPVAQ-PXAZEXFGSA-N 0 3 297.358 2.346 20 30 CEEDHN CO[C@@H]([C@H](C)N[C@@H](C)c1cc(C#N)ccn1)C1CC1 ZINC000903012393 634938256 /nfs/dbraw/zinc/93/82/56/634938256.db2.gz PBLJYLKAHJQZHA-PGUXBMHVSA-N 0 3 259.353 2.417 20 30 CEEDHN CC[C@H](C)C[C@@H](CO)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903037458 634941684 /nfs/dbraw/zinc/94/16/84/634941684.db2.gz KSXVVCXVMAVGPQ-OBJOEFQTSA-N 0 3 261.369 2.401 20 30 CEEDHN C[C@@H](NC[C@@H](CO)CC1CC1)c1cc(C#N)ccn1 ZINC000903053738 634957219 /nfs/dbraw/zinc/95/72/19/634957219.db2.gz SLQBZGMGRBAKTQ-RISCZKNCSA-N 0 3 259.353 2.012 20 30 CEEDHN C#Cc1ccc(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000825123844 635573585 /nfs/dbraw/zinc/57/35/85/635573585.db2.gz DFRAPTXDAMVFLM-KBPBESRZSA-N 0 3 283.293 2.413 20 30 CEEDHN C#CC[C@@H]1CCCN(C(=O)NCCN2CCC(C)CC2)C1 ZINC000825701773 635698195 /nfs/dbraw/zinc/69/81/95/635698195.db2.gz DJLXTBYXWIZCLN-MRXNPFEDSA-N 0 3 291.439 2.163 20 30 CEEDHN COc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1OC ZINC000905079308 635796652 /nfs/dbraw/zinc/79/66/52/635796652.db2.gz ANVHHTXFTOIUKK-ISAHRAOESA-N 0 3 285.303 2.136 20 30 CEEDHN CC1/C(=C\c2cccc3c2OCCCO3)C(=O)c2ncnn21 ZINC000905082344 635798183 /nfs/dbraw/zinc/79/81/83/635798183.db2.gz VRBXVILGHHLEFR-ZDIKFAODSA-N 0 3 297.314 2.280 20 30 CEEDHN CC1/C(=C/c2cccc3c2CCOC3)C(=O)c2ncnn21 ZINC000905083045 635798854 /nfs/dbraw/zinc/79/88/54/635798854.db2.gz AVYSOUAJMCNLCG-IXIHQHOXSA-N 0 3 281.315 2.192 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCOc3c(F)cccc32)CC1 ZINC000905644671 636379551 /nfs/dbraw/zinc/37/95/51/636379551.db2.gz RTXOFLFGJBCHGO-BXUZGUMPSA-N 0 3 290.338 2.294 20 30 CEEDHN CC1(C)C[C@]1(C)CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000905779452 636436532 /nfs/dbraw/zinc/43/65/32/636436532.db2.gz BIAVYTGXOPSQCV-XJKSGUPXSA-N 0 3 271.364 2.110 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)c1ccsc1C#N ZINC000906104757 636602668 /nfs/dbraw/zinc/60/26/68/636602668.db2.gz QUYNLPJKSCNYFH-LLVKDONJSA-N 0 3 277.393 2.224 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)c2ccsc2C#N)C1 ZINC000906173214 636635079 /nfs/dbraw/zinc/63/50/79/636635079.db2.gz PXGZEJRZWDRBHC-LLVKDONJSA-N 0 3 277.393 2.081 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000829512051 636870866 /nfs/dbraw/zinc/87/08/66/636870866.db2.gz DQKGEGFQBRMIAO-DLBZAZTESA-N 0 3 297.402 2.016 20 30 CEEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)NCCC(C)C)C1 ZINC000829775027 636927775 /nfs/dbraw/zinc/92/77/75/636927775.db2.gz XKIMWYLJBPYGCJ-HUUCEWRRSA-N 0 3 264.413 2.273 20 30 CEEDHN C#CC[C@@H]1CCCN(CCn2cc(Cl)cn2)C1 ZINC000829815858 636937612 /nfs/dbraw/zinc/93/76/12/636937612.db2.gz UXVXHOZJGCDQBA-GFCCVEGCSA-N 0 3 251.761 2.272 20 30 CEEDHN CC(C)C#CC(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000830173742 636999345 /nfs/dbraw/zinc/99/93/45/636999345.db2.gz FLRAZUNXJDTBSK-CQSZACIVSA-N 0 3 286.375 2.002 20 30 CEEDHN C#CC1CCN([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000830311079 637032617 /nfs/dbraw/zinc/03/26/17/637032617.db2.gz CNZQIXZRWGKPRS-HNNXBMFYSA-N 0 3 296.414 2.305 20 30 CEEDHN C#CC1CCN(CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000830334003 637039197 /nfs/dbraw/zinc/03/91/97/637039197.db2.gz SWJQNWGDYRCJCI-UHFFFAOYSA-N 0 3 283.375 2.477 20 30 CEEDHN COC(=O)C1(C#N)CCN([C@H](C)CC(C)C)CC1 ZINC000831699357 637412831 /nfs/dbraw/zinc/41/28/31/637412831.db2.gz MCRFUHQFYVJJQV-GFCCVEGCSA-N 0 3 252.358 2.200 20 30 CEEDHN COC(=O)C1(C#N)CCN(CC23CCC(CC2)C3)CC1 ZINC000831699087 637413833 /nfs/dbraw/zinc/41/38/33/637413833.db2.gz HCONWHCVSWXVBK-UHFFFAOYSA-N 0 3 276.380 2.345 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc(OCC)c1 ZINC000876584997 650346493 /nfs/dbraw/zinc/34/64/93/650346493.db2.gz VQERXFTYCWTAHM-ZDUSSCGKSA-N 0 3 282.771 2.171 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1cccc(C)c1 ZINC000876613856 650359566 /nfs/dbraw/zinc/35/95/66/650359566.db2.gz WNFUABJHUKMLQW-CYBMUJFWSA-N 0 3 266.772 2.124 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000876613582 650359759 /nfs/dbraw/zinc/35/97/59/650359759.db2.gz RKNZZTVTVXVIHO-STQMWFEESA-N 0 3 282.746 2.399 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000876618884 650362849 /nfs/dbraw/zinc/36/28/49/650362849.db2.gz IJKHFGKADSCXPW-DLOVCJGASA-N 0 3 258.793 2.399 20 30 CEEDHN C[C@H](Cc1cnccn1)NCc1cc(C#N)ccc1F ZINC000834673142 637915546 /nfs/dbraw/zinc/91/55/46/637915546.db2.gz OAGYJCMUEJKPIN-LLVKDONJSA-N 0 3 270.311 2.208 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](CC(C)C)C1 ZINC000876656638 650380937 /nfs/dbraw/zinc/38/09/37/650380937.db2.gz SMTOBRPUVIXWEP-NEPJUHHUSA-N 0 3 258.793 2.351 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(CCOCC)CCC1 ZINC000876701892 650405666 /nfs/dbraw/zinc/40/56/66/650405666.db2.gz FWPSKWWVGFBFNC-GFCCVEGCSA-N 0 3 288.819 2.169 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H]3C=CCCC3)CCC[C@@H]12 ZINC000991326771 638290265 /nfs/dbraw/zinc/29/02/65/638290265.db2.gz DCHAJUTUIYQJJW-JFIYKMOQSA-N 0 3 286.419 2.479 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccccc1N(C)CC ZINC000876754501 650421412 /nfs/dbraw/zinc/42/14/12/650421412.db2.gz FEHCFLNUIVJCOP-ZDUSSCGKSA-N 0 3 295.814 2.229 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCCCc1ccccc1 ZINC000911944063 638479894 /nfs/dbraw/zinc/47/98/94/638479894.db2.gz SUFWOBLWQYWJMP-OAHLLOKOSA-N 0 3 260.381 2.419 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCCc1cc(C)ccc1OC ZINC000912117919 638560922 /nfs/dbraw/zinc/56/09/22/638560922.db2.gz XLKGXWYAELMOEK-OAHLLOKOSA-N 0 3 290.407 2.346 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000876787289 650430986 /nfs/dbraw/zinc/43/09/86/650430986.db2.gz GDANOVRNCPILBT-CHWSQXEVSA-N 0 3 279.771 2.215 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CCc2sccc2C1 ZINC000912185408 638601015 /nfs/dbraw/zinc/60/10/15/638601015.db2.gz HGCFTHGRFPCEIE-GFCCVEGCSA-N 0 3 264.394 2.316 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(F)c(F)c1 ZINC000912238839 638611091 /nfs/dbraw/zinc/61/10/91/638611091.db2.gz GELXQYSVMIBYIE-ZDUSSCGKSA-N 0 3 268.307 2.265 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(F)c(F)c1 ZINC000912238838 638611280 /nfs/dbraw/zinc/61/12/80/638611280.db2.gz GELXQYSVMIBYIE-CYBMUJFWSA-N 0 3 268.307 2.265 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NC1(C(=O)OC)CCCCCC1 ZINC000912231430 638616603 /nfs/dbraw/zinc/61/66/03/638616603.db2.gz NWEZBHMVKLUQAD-ZDUSSCGKSA-N 0 3 296.411 2.052 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCc2c(C)cccc2C1 ZINC000836487678 638648180 /nfs/dbraw/zinc/64/81/80/638648180.db2.gz IPGMITQDANGHBW-UHFFFAOYSA-N 0 3 299.418 2.018 20 30 CEEDHN CC(C)(C)C#CC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000876853064 650460182 /nfs/dbraw/zinc/46/01/82/650460182.db2.gz CWCKBIQSADOPAP-UHFFFAOYSA-N 0 3 272.348 2.157 20 30 CEEDHN Cc1cc(C#N)cc(C)c1CC(=O)N1CCN[C@H](C(C)C)C1 ZINC000912765322 639012279 /nfs/dbraw/zinc/01/22/79/639012279.db2.gz AOSHZVFOARLBCE-KRWDZBQOSA-N 0 3 299.418 2.174 20 30 CEEDHN Cc1cc(C(=O)N2CCN[C@H](C(C)C)C2)cc(C)c1C#N ZINC000912765387 639012609 /nfs/dbraw/zinc/01/26/09/639012609.db2.gz BXKNAIFAIQBNHA-INIZCTEOSA-N 0 3 285.391 2.245 20 30 CEEDHN C=CCCOCCCCC(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912911352 639077110 /nfs/dbraw/zinc/07/71/10/639077110.db2.gz GQBJSKGQEKTETG-OAHLLOKOSA-N 0 3 280.412 2.056 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(F)c(OC)c1 ZINC000876875601 650468961 /nfs/dbraw/zinc/46/89/61/650468961.db2.gz WXFPKZUMFNPZTN-JTQLQIEISA-N 0 3 272.707 2.243 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2c1cccc2F ZINC000876881603 650471325 /nfs/dbraw/zinc/47/13/25/650471325.db2.gz KUOSTKMVKYMSRG-NSHDSACASA-N 0 3 268.719 2.185 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2cc(F)ccc2C1 ZINC000876881475 650471477 /nfs/dbraw/zinc/47/14/77/650471477.db2.gz HIYZHZCINUETLO-CYBMUJFWSA-N 0 3 282.746 2.180 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C2CCCC2)nn1C ZINC000876887023 650474095 /nfs/dbraw/zinc/47/40/95/650474095.db2.gz HQZOXVFDSCLJTL-NSHDSACASA-N 0 3 296.802 2.486 20 30 CEEDHN CCCCCCCNC(=O)c1ccnn1CCN(C)C ZINC000912971683 639167707 /nfs/dbraw/zinc/16/77/07/639167707.db2.gz PEKOURRTQFLFMT-UHFFFAOYSA-N 0 3 280.416 2.145 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(CC)ccc1O ZINC000876890007 650475644 /nfs/dbraw/zinc/47/56/44/650475644.db2.gz ULKRLYGYXPVIGX-SNVBAGLBSA-N 0 3 268.744 2.363 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(C)Cc2ccccc2C1 ZINC000876888660 650475684 /nfs/dbraw/zinc/47/56/84/650475684.db2.gz UKGBPSJDDWWGGY-CQSZACIVSA-N 0 3 292.810 2.378 20 30 CEEDHN CN(C)CCN(CCCc1ccccc1)C(=O)C#CC1CC1 ZINC000837368103 639205129 /nfs/dbraw/zinc/20/51/29/639205129.db2.gz DBRBYLUAKAUZBQ-UHFFFAOYSA-N 0 3 298.430 2.423 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CN1Cc1ccccc1 ZINC000837464570 639240732 /nfs/dbraw/zinc/24/07/32/639240732.db2.gz JKECHKNVUMVUCZ-PBHICJAKSA-N 0 3 282.387 2.179 20 30 CEEDHN C#CCCCCCCN[C@H](C(N)=O)c1ccccc1 ZINC000876918677 650486140 /nfs/dbraw/zinc/48/61/40/650486140.db2.gz LDOYMFABRFTDIU-HNNXBMFYSA-N 0 3 258.365 2.386 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)C#CC2CC2)CCN1Cc1ccccc1 ZINC000837656529 639328505 /nfs/dbraw/zinc/32/85/05/639328505.db2.gz QJNNEVKIDIVBBY-RHSMWYFYSA-N 0 3 282.387 2.179 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000876932478 650491565 /nfs/dbraw/zinc/49/15/65/650491565.db2.gz NFCHIKVNMCIUKE-SGMGOOAPSA-N 0 3 282.746 2.210 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CC2CCC1CC2 ZINC000876934071 650492413 /nfs/dbraw/zinc/49/24/13/650492413.db2.gz DARRDWJHLBQXGT-TUUUFIMRSA-N 0 3 270.804 2.399 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000876934072 650492464 /nfs/dbraw/zinc/49/24/64/650492464.db2.gz DARRDWJHLBQXGT-TYUFSLCMSA-N 0 3 270.804 2.399 20 30 CEEDHN CC(C)[C@@](C)(O)CNCc1cc(C#N)cnc1Cl ZINC000877042483 639468054 /nfs/dbraw/zinc/46/80/54/639468054.db2.gz RMYIXXJDAREQJJ-ZDUSSCGKSA-N 0 3 267.760 2.103 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)CCC[C@@H]12 ZINC000992117734 639965441 /nfs/dbraw/zinc/96/54/41/639965441.db2.gz LESNOKFSHNKPFT-HNLJFRNMSA-N 0 3 274.408 2.332 20 30 CEEDHN CCc1cc(CN[C@H](C)CC2(C#N)CCOCC2)[nH]n1 ZINC000877033963 650540340 /nfs/dbraw/zinc/54/03/40/650540340.db2.gz TVNTWITWQLDESO-GFCCVEGCSA-N 0 3 276.384 2.161 20 30 CEEDHN CCc1cc(CN[C@H](C)CC2(C#N)CCOCC2)n[nH]1 ZINC000877033963 650540346 /nfs/dbraw/zinc/54/03/46/650540346.db2.gz TVNTWITWQLDESO-GFCCVEGCSA-N 0 3 276.384 2.161 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccn(C)c3C)CCC[C@H]12 ZINC000992189367 639984812 /nfs/dbraw/zinc/98/48/12/639984812.db2.gz NLQMCAVYMRGURY-FUHWJXTLSA-N 0 3 299.418 2.084 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)c3cccnc3)CCC[C@H]12 ZINC000992410772 640046692 /nfs/dbraw/zinc/04/66/92/640046692.db2.gz OWAJHVDRWLQLCB-UWWQBHOKSA-N 0 3 299.418 2.484 20 30 CEEDHN CN1CCN(C(=O)c2ccsc2C#N)CCC1(C)C ZINC000913722470 640080586 /nfs/dbraw/zinc/08/05/86/640080586.db2.gz NIKZGSFKLBPEOG-UHFFFAOYSA-N 0 3 277.393 2.176 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3cccn3CC)CCC[C@H]12 ZINC000992481600 640117513 /nfs/dbraw/zinc/11/75/13/640117513.db2.gz BQEULGDHCLIZPT-FUHWJXTLSA-N 0 3 299.418 2.258 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCC(=O)C1 ZINC000842676874 640146986 /nfs/dbraw/zinc/14/69/86/640146986.db2.gz PBLYJGDJRXAATO-CMPLNLGQSA-N 0 3 281.315 2.119 20 30 CEEDHN CO[C@H](CNCc1cc(C#N)ccc1F)C1CCOCC1 ZINC000877067018 650557228 /nfs/dbraw/zinc/55/72/28/650557228.db2.gz ACVNZIRIFBIKJY-MRXNPFEDSA-N 0 3 292.354 2.229 20 30 CEEDHN C#CCC1(NC(=O)NCCN(C)Cc2ccccc2)CCC1 ZINC000914333258 640317794 /nfs/dbraw/zinc/31/77/94/640317794.db2.gz UWHHXHDUDQPMRN-UHFFFAOYSA-N 0 3 299.418 2.364 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2CCC2)[C@@H]1C ZINC000992939828 640376647 /nfs/dbraw/zinc/37/66/47/640376647.db2.gz FPRKJOIWOKGLQI-GXTWGEPZSA-N 0 3 250.386 2.332 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2)[C@H]1C ZINC000992983404 640393095 /nfs/dbraw/zinc/39/30/95/640393095.db2.gz PIEHEANOBVNORJ-GDBMZVCRSA-N 0 3 270.376 2.293 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2occc2C)[C@H]1C ZINC000993040989 640411777 /nfs/dbraw/zinc/41/17/77/640411777.db2.gz SBHDPPXUJPGCAV-ZIAGYGMSSA-N 0 3 274.364 2.194 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC000993200459 640546339 /nfs/dbraw/zinc/54/63/39/640546339.db2.gz NKIDTKIFEQEGAD-IUODEOHRSA-N 0 3 286.379 2.045 20 30 CEEDHN C#C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)c1ccccc1 ZINC000843968060 640567402 /nfs/dbraw/zinc/56/74/02/640567402.db2.gz RWUCZUMKJJPSIK-LSDHHAIUSA-N 0 3 258.365 2.063 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(CC)ccn2)[C@H]1C ZINC000993341254 640618948 /nfs/dbraw/zinc/61/89/48/640618948.db2.gz BDYWMAVUJHSWOP-ZBFHGGJFSA-N 0 3 299.418 2.250 20 30 CEEDHN Cc1cc([C@@H](N)CC(=O)N(C)[C@H](C)CC#N)cc(Cl)n1 ZINC000877146168 650594702 /nfs/dbraw/zinc/59/47/02/650594702.db2.gz UCIAGIQXKOURBC-PWSUYJOCSA-N 0 3 294.786 2.194 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C2C=CC=CC=C2)[C@H]1C ZINC000993406358 640637587 /nfs/dbraw/zinc/63/75/87/640637587.db2.gz DWALTLSSXQVHEI-NVXWUHKLSA-N 0 3 284.403 2.277 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C2C=CC=CC=C2)[C@H]1C ZINC000993406367 640637716 /nfs/dbraw/zinc/63/77/16/640637716.db2.gz DWALTLSSXQVHEI-WBVHZDCISA-N 0 3 284.403 2.277 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccn2CC=C)[C@H]1C ZINC000993448775 640648105 /nfs/dbraw/zinc/64/81/05/640648105.db2.gz 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ZINC000760356573 645147185 /nfs/dbraw/zinc/14/71/85/645147185.db2.gz ITCCKSYCGVRAHZ-LBPRGKRZSA-N 0 3 297.314 2.131 20 30 CEEDHN C#CCCCCCN1CCN(c2cc(OC)ccn2)CC1 ZINC000878057534 650986894 /nfs/dbraw/zinc/98/68/94/650986894.db2.gz MYIXFVOLUFVJBT-UHFFFAOYSA-N 0 3 287.407 2.406 20 30 CEEDHN COCC1(N(C)Cc2ccc(OCC#N)cc2)CC1 ZINC000761103313 645241942 /nfs/dbraw/zinc/24/19/42/645241942.db2.gz WAQMILIRYWQGIW-UHFFFAOYSA-N 0 3 260.337 2.200 20 30 CEEDHN C#CC[C@H](COC)Nc1ccnc2ccc(C)cc21 ZINC000858859937 645273494 /nfs/dbraw/zinc/27/34/94/645273494.db2.gz GFHPCJSOUMTRGG-CYBMUJFWSA-N 0 3 254.333 2.415 20 30 CEEDHN CCCCCCCN1CCN2C(=O)OCC[C@H]2C1 ZINC000764424900 645639044 /nfs/dbraw/zinc/63/90/44/645639044.db2.gz LTCDUBWMAXOPGP-ZDUSSCGKSA-N 0 3 254.374 2.483 20 30 CEEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccns1 ZINC000860059982 645686418 /nfs/dbraw/zinc/68/64/18/645686418.db2.gz RRIWJYILZIJBGD-VHSXEESVSA-N 0 3 253.371 2.094 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@@]23CCOC3)c1 ZINC000764762112 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/nfs/dbraw/zinc/33/80/62/646338062.db2.gz BQKUVMVEKLJAJL-JSGCOSHPSA-N 0 3 267.336 2.049 20 30 CEEDHN C#CC[C@H](CCOC)[NH2+]Cc1cc(F)ccc1[O-] ZINC000862547624 646494723 /nfs/dbraw/zinc/49/47/23/646494723.db2.gz LAKDANPJLCQJKF-CYBMUJFWSA-N 0 3 251.301 2.049 20 30 CEEDHN CC(=NNc1ccnc(C)c1)c1cn2c(n1)CCCC2 ZINC000863159322 646658252 /nfs/dbraw/zinc/65/82/52/646658252.db2.gz LVUNNVJKFQCWTD-UHFFFAOYSA-N 0 3 269.352 2.181 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000773595980 646761524 /nfs/dbraw/zinc/76/15/24/646761524.db2.gz JMMKLQLWZAWXKD-YOEHRIQHSA-N 0 3 299.418 2.144 20 30 CEEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1ccccc1)[C@@H]1CCCO1 ZINC000775351148 646944895 /nfs/dbraw/zinc/94/48/95/646944895.db2.gz RWHFEVVNJQMXGE-KBMXLJTQSA-N 0 3 286.375 2.174 20 30 CEEDHN C#CC[C@H](NCC1(CS(C)(=O)=O)CC1)c1ccccc1 ZINC000775402753 646950255 /nfs/dbraw/zinc/95/02/55/646950255.db2.gz CMIGDKLZZZDWSN-HNNXBMFYSA-N 0 3 291.416 2.165 20 30 CEEDHN C#C[C@H](N[C@H](C)Cc1ccn(C(C)C)n1)[C@@H]1CCCO1 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CN(C)[C@H]1Cc2ccccc2N(C(=O)c2coc(C#N)c2)C1 ZINC000865648571 647405524 /nfs/dbraw/zinc/40/55/24/647405524.db2.gz FIAWWERKARGLBH-AWEZNQCLSA-N 0 3 295.342 2.284 20 30 CEEDHN CN(C)c1ccncc1CN=Nc1ncncc1Cl ZINC000780278512 647410548 /nfs/dbraw/zinc/41/05/48/647410548.db2.gz BVLZLZXWVRAMKV-UHFFFAOYSA-N 0 3 276.731 2.037 20 30 CEEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1cc3n(n1)CCCC3)C2 ZINC000865849154 647493085 /nfs/dbraw/zinc/49/30/85/647493085.db2.gz YJWCNSKLXWIDSH-INIZCTEOSA-N 0 3 292.386 2.348 20 30 CEEDHN N#Cc1ccc(CN[C@]23CCC[C@H]2OCC3)c(F)c1 ZINC000865858135 647507169 /nfs/dbraw/zinc/50/71/69/647507169.db2.gz BSQKDDTYZUQWOQ-CABCVRRESA-N 0 3 260.312 2.499 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CC[C@@H]3SCCS[C@H]23)nc1 ZINC000783293376 647707573 /nfs/dbraw/zinc/70/75/73/647707573.db2.gz FZKRRVPZDCTFNG-HZSPNIEDSA-N 0 3 291.445 2.422 20 30 CEEDHN C=CCN1CCC(NC(=O)OCCC(F)(F)F)CC1 ZINC000866744741 647888927 /nfs/dbraw/zinc/88/89/27/647888927.db2.gz SNRGVTWGXBJIEM-UHFFFAOYSA-N 0 3 280.290 2.315 20 30 CEEDHN N#CC(C(=O)NCc1ccc(F)cc1F)C(=O)C1CCC1 ZINC000786554305 648026735 /nfs/dbraw/zinc/02/67/35/648026735.db2.gz MKSLXVCGQBXLAB-LBPRGKRZSA-N 0 3 292.285 2.090 20 30 CEEDHN CC[C@H](C)C(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786569615 648027746 /nfs/dbraw/zinc/02/77/46/648027746.db2.gz LDKYKMZXLUDZGI-GXSJLCMTSA-N 0 3 294.301 2.336 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC1([C@H]2CCCCO2)CCC1 ZINC000868047801 648033585 /nfs/dbraw/zinc/03/35/85/648033585.db2.gz RBIVRPSLNUUTAX-UONOGXRCSA-N 0 3 293.411 2.006 20 30 CEEDHN CC(C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787079125 648070582 /nfs/dbraw/zinc/07/05/82/648070582.db2.gz PUBUKBGKOVEZEX-CQSZACIVSA-N 0 3 272.348 2.400 20 30 CEEDHN CC(C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787079123 648070993 /nfs/dbraw/zinc/07/09/93/648070993.db2.gz PUBUKBGKOVEZEX-AWEZNQCLSA-N 0 3 272.348 2.400 20 30 CEEDHN C#CC[C@@H](OC(=O)C1CCN(C2CC2)CC1)C1CC1 ZINC000788190531 648161731 /nfs/dbraw/zinc/16/17/31/648161731.db2.gz YJCHNKBXRPVKDS-OAHLLOKOSA-N 0 3 261.365 2.206 20 30 CEEDHN CC1(C)C(=Nn2cnnc2)C[C@H]1Oc1ccccc1 ZINC000788929785 648235386 /nfs/dbraw/zinc/23/53/86/648235386.db2.gz ZJXZFRHLNKYUKU-CYBMUJFWSA-N 0 3 256.309 2.360 20 30 CEEDHN CC[C@@H](C)NN=Cc1ccc(N2CCOCC2)cc1 ZINC000790190481 648392344 /nfs/dbraw/zinc/39/23/44/648392344.db2.gz VWQHRQNDCVLCHF-CYBMUJFWSA-N 0 3 261.369 2.245 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(OC)cc2F)CC1 ZINC000869859444 648624077 /nfs/dbraw/zinc/62/40/77/648624077.db2.gz PXSSMMPJNOUGCV-UHFFFAOYSA-N 0 3 290.338 2.118 20 30 CEEDHN COC(=O)CCN1CCC(=NNCC2(C)CCCC2)CC1 ZINC000793081982 648707380 /nfs/dbraw/zinc/70/73/80/648707380.db2.gz QXKVTMDPNFMWRF-UHFFFAOYSA-N 0 3 295.427 2.171 20 30 CEEDHN Cn1c2ccccc2sc1=NN=C1CN2CCC1CC2 ZINC000793108123 648708955 /nfs/dbraw/zinc/70/89/55/648708955.db2.gz GKWSWKIKUJXCFB-UHFFFAOYSA-N 0 3 286.404 2.222 20 30 CEEDHN CC(C)N(CC(=O)NCCC#N)[C@H](C)c1ccccc1 ZINC000794687323 648903697 /nfs/dbraw/zinc/90/36/97/648903697.db2.gz YJZMDXLFPDHOQA-CQSZACIVSA-N 0 3 273.380 2.488 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871156072 649016858 /nfs/dbraw/zinc/01/68/58/649016858.db2.gz MUBVIBCCOBZDQI-INIZCTEOSA-N 0 3 282.428 2.158 20 30 CEEDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Nc1ccc(C#N)cc1 ZINC000871764038 649176238 /nfs/dbraw/zinc/17/62/38/649176238.db2.gz SXBFRTPLNZBOAA-GJZGRUSLSA-N 0 3 284.363 2.259 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC23CCC3)CC1 ZINC000872880685 649503802 /nfs/dbraw/zinc/50/38/02/649503802.db2.gz IXGASAJLWRLZOH-CQSZACIVSA-N 0 3 277.412 2.269 20 30 CEEDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1CC#N ZINC000874821673 649839013 /nfs/dbraw/zinc/83/90/13/649839013.db2.gz SKFXDXFFMYXHCF-HOTGVXAUSA-N 0 3 283.375 2.061 20 30 CEEDHN C=CC[C@H](C)N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000878524156 651120040 /nfs/dbraw/zinc/12/00/40/651120040.db2.gz NVFJBVIDBTZIIG-KBPBESRZSA-N 0 3 265.401 2.029 20 30 CEEDHN C#CCCCCCN1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000878524406 651121027 /nfs/dbraw/zinc/12/10/27/651121027.db2.gz PCJUEWVRQPQXQB-INIZCTEOSA-N 0 3 291.439 2.258 20 30 CEEDHN C=CC[C@H](C)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000878530663 651122193 /nfs/dbraw/zinc/12/21/93/651122193.db2.gz WPAOIUXRJQSDTJ-ZDUSSCGKSA-N 0 3 256.353 2.040 20 30 CEEDHN C=CC[C@@H](C)[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000878549926 651127969 /nfs/dbraw/zinc/12/79/69/651127969.db2.gz MVZRWBDNSVIEPR-SNVBAGLBSA-N 0 3 278.318 2.342 20 30 CEEDHN C=CC[C@H](C)[N@@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000878630159 651145914 /nfs/dbraw/zinc/14/59/14/651145914.db2.gz SSJBPXQVNVWTOH-QWRGUYRKSA-N 0 3 278.318 2.342 20 30 CEEDHN C=CC[C@H](C)[N@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000878630159 651145917 /nfs/dbraw/zinc/14/59/17/651145917.db2.gz SSJBPXQVNVWTOH-QWRGUYRKSA-N 0 3 278.318 2.342 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000878877039 651202416 /nfs/dbraw/zinc/20/24/16/651202416.db2.gz ATCWCLPZLQYGSC-CVEARBPZSA-N 0 3 282.347 2.152 20 30 CEEDHN C#CCN(CCCCCn1cc(C)cn1)C1CSC1 ZINC000878914033 651208890 /nfs/dbraw/zinc/20/88/90/651208890.db2.gz KHRXAOBGCKUREV-UHFFFAOYSA-N 0 3 277.437 2.412 20 30 CEEDHN C#CCOCCN1CCC(Oc2ccccc2F)CC1 ZINC000879196423 651258638 /nfs/dbraw/zinc/25/86/38/651258638.db2.gz BMXSLTLCFSOSNR-UHFFFAOYSA-N 0 3 277.339 2.319 20 30 CEEDHN CC1(F)CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000879381187 651295177 /nfs/dbraw/zinc/29/51/77/651295177.db2.gz SEXDBOMCQOSNJG-AWEZNQCLSA-N 0 3 262.328 2.416 20 30 CEEDHN COc1cccc([C@@H]2CN(Cc3ccc(C#N)o3)CCN2)c1 ZINC000879522258 651315645 /nfs/dbraw/zinc/31/56/45/651315645.db2.gz HEDJQHCKRCRUCC-KRWDZBQOSA-N 0 3 297.358 2.306 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653569 651335986 /nfs/dbraw/zinc/33/59/86/651335986.db2.gz SJSBDRLFXDNIBB-LRDDRELGSA-N 0 3 289.379 2.097 20 30 CEEDHN CN(C)CCSc1ncc(C#N)cc1Br ZINC000882076970 651954072 /nfs/dbraw/zinc/95/40/72/651954072.db2.gz VLNYBMQSLGRDRG-UHFFFAOYSA-N 0 3 286.198 2.369 20 30 CEEDHN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)NC(C)C ZINC000129445133 651970527 /nfs/dbraw/zinc/97/05/27/651970527.db2.gz DBBRPGOEIKLVRQ-QJPTWQEYSA-N 0 3 290.388 2.394 20 30 CEEDHN C#CC[C@@H](CO)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000883123299 652369502 /nfs/dbraw/zinc/36/95/02/652369502.db2.gz TWAOFBAZOKEJCN-KRWDZBQOSA-N 0 3 297.402 2.022 20 30 CEEDHN C#CC[C@@H](CO)NCc1cc2ccccc2cc1OC ZINC000883125740 652370690 /nfs/dbraw/zinc/37/06/90/652370690.db2.gz SMYJRPNAMRZCLR-INIZCTEOSA-N 0 3 269.344 2.322 20 30 CEEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1cn2ccccc2n1 ZINC000883391462 652453158 /nfs/dbraw/zinc/45/31/58/652453158.db2.gz LERRNPARHTWYBK-OLZOCXBDSA-N 0 3 259.353 2.312 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cc(OC)ccc1F ZINC000883400590 652456635 /nfs/dbraw/zinc/45/66/35/652456635.db2.gz QKULPMGYTSWQJX-LBPRGKRZSA-N 0 3 253.317 2.251 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cnc([C@@H]2CCCO2)s1 ZINC000883400624 652456691 /nfs/dbraw/zinc/45/66/91/652456691.db2.gz REZLOKBZNSRJQX-AAEUAGOBSA-N 0 3 282.409 2.411 20 30 CEEDHN C[C@@H](C#N)Oc1ccc(CN(C)[C@@H]2CCOC2)cc1 ZINC000132077605 652493478 /nfs/dbraw/zinc/49/34/78/652493478.db2.gz 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/nfs/dbraw/zinc/72/68/48/652726848.db2.gz HGVUMIWHBGTIAQ-RXKGYNAASA-N 0 3 289.423 2.163 20 30 CEEDHN C[C@H](CCC(C)(C)C)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884147189 652729393 /nfs/dbraw/zinc/72/93/93/652729393.db2.gz BPTRHENVXPIEBV-ZBUZPQQSSA-N 0 3 291.439 2.457 20 30 CEEDHN Cc1cc(F)cc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c1 ZINC000884307019 652788921 /nfs/dbraw/zinc/78/89/21/652788921.db2.gz WAFUWBHMFKJBSL-BGMSHATGSA-N 0 3 287.338 2.212 20 30 CEEDHN COc1cccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c1C ZINC000884432557 652848970 /nfs/dbraw/zinc/84/89/70/652848970.db2.gz IGFOIVRZARELGK-JZLYGMAVSA-N 0 3 299.374 2.082 20 30 CEEDHN C=CCCC(=O)N1CCC(CNCc2ocnc2C)CC1 ZINC001204752957 805595122 /nfs/dbraw/zinc/59/51/22/805595122.db2.gz BLHCNYTXIKNXTE-UHFFFAOYSA-N 0 3 291.395 2.277 20 30 CEEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001270919499 805688565 /nfs/dbraw/zinc/68/85/65/805688565.db2.gz LMPOXMDGNHHANN-LSDHHAIUSA-N 0 3 276.424 2.130 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)c3ccccn3)C2)C1 ZINC001040039074 805723468 /nfs/dbraw/zinc/72/34/68/805723468.db2.gz DNCHHOANOIGURF-SFHVURJKSA-N 0 3 297.402 2.033 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3n[nH]cc32)[C@H]1CC ZINC001087680739 805772423 /nfs/dbraw/zinc/77/24/23/805772423.db2.gz JAMONDUWJKPQKP-JKSUJKDBSA-N 0 3 298.390 2.332 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)/C=C/c3ccco3)C2)C1 ZINC001040043689 805809341 /nfs/dbraw/zinc/80/93/41/805809341.db2.gz NAKNJPKFGJNFNV-IPLHWJFFSA-N 0 3 298.386 2.241 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)CC3CCCCC3)C[C@@H]2C1 ZINC001087875769 805833324 /nfs/dbraw/zinc/83/33/24/805833324.db2.gz KZDQHUORARVRSM-SJORKVTESA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc(C)cc(C)c3)C[C@@H]2C1 ZINC001088181773 805965654 /nfs/dbraw/zinc/96/56/54/805965654.db2.gz CBCPEZUXESQHOT-AEFFLSMTSA-N 0 3 296.414 2.331 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001271880173 806126510 /nfs/dbraw/zinc/12/65/10/806126510.db2.gz IASOWKURAAPXCO-HRCADAONSA-N 0 3 290.451 2.472 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H](C)SC ZINC001271998047 806185898 /nfs/dbraw/zinc/18/58/98/806185898.db2.gz KPAPQHDZWYYXTL-LBPRGKRZSA-N 0 3 258.431 2.094 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(Cl)c[nH]2)[C@H]1C ZINC001088465904 806269937 /nfs/dbraw/zinc/26/99/37/806269937.db2.gz IMOUKDJHPWEONE-PWSUYJOCSA-N 0 3 281.787 2.437 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)C[C@@H](C)CCC)[C@H](OC)C1 ZINC001212008640 806514058 /nfs/dbraw/zinc/51/40/58/806514058.db2.gz GKMQKBQGYDSYIW-RRFJBIMHSA-N 0 3 282.428 2.204 20 30 CEEDHN CC/C(C)=C/C(=O)NCCNCc1cccc(C#N)c1 ZINC001126751686 806514918 /nfs/dbraw/zinc/51/49/18/806514918.db2.gz HKXBJHNJXQSJGE-UKTHLTGXSA-N 0 3 271.364 2.120 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC13CCCC3)C2 ZINC001098155619 806551148 /nfs/dbraw/zinc/55/11/48/806551148.db2.gz ROUUCYCPUBEBRE-FPCVCCKLSA-N 0 3 286.419 2.312 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1cc(C)cc(C)c1 ZINC001272158378 806566023 /nfs/dbraw/zinc/56/60/23/806566023.db2.gz INAXBFUEZNEAPM-UHFFFAOYSA-N 0 3 260.381 2.493 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccccc2)[C@H]1C ZINC001088669763 806587104 /nfs/dbraw/zinc/58/71/04/806587104.db2.gz IIVXWMJGVUSFQT-ZBFHGGJFSA-N 0 3 272.392 2.384 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C2(C)CCC2)[C@H]1C ZINC001088796427 806726253 /nfs/dbraw/zinc/72/62/53/806726253.db2.gz KIXCWMTVZDGBEK-OLZOCXBDSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCCC(=O)N[C@@H]1CCC[C@H]1CNCc1cscn1 ZINC001272243606 806780336 /nfs/dbraw/zinc/78/03/36/806780336.db2.gz LPCYQRABBCOIPT-GXTWGEPZSA-N 0 3 293.436 2.484 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3ccccc3F)[C@@H]2C1 ZINC001076524814 806855405 /nfs/dbraw/zinc/85/54/05/806855405.db2.gz GYHFGUVRKGZAIB-GOEBONIOSA-N 0 3 288.366 2.087 20 30 CEEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CC2CCCCC2)C1 ZINC001076717607 806872381 /nfs/dbraw/zinc/87/23/81/806872381.db2.gz LYNZACLZBQNBRW-HZPDHXFCSA-N 0 3 294.439 2.084 20 30 CEEDHN C=CCCCN1CCC[C@H](NC(=O)c2oncc2C)C1 ZINC001266246095 802314236 /nfs/dbraw/zinc/31/42/36/802314236.db2.gz 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/nfs/dbraw/zinc/76/27/85/802762785.db2.gz YDNHRESHCKNCPW-NVXWUHKLSA-N 0 3 299.418 2.273 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)C ZINC001039333819 802823528 /nfs/dbraw/zinc/82/35/28/802823528.db2.gz PHBHOFFRIRWFHF-KGLIPLIRSA-N 0 3 250.386 2.284 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001266670516 802828050 /nfs/dbraw/zinc/82/80/50/802828050.db2.gz WWKPDXUBKSVNFU-VFFJXMNASA-N 0 3 268.788 2.332 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)CCc2cccc(C)c2)C1 ZINC001266755928 802881822 /nfs/dbraw/zinc/88/18/22/802881822.db2.gz WKMNSNSYQNHUHX-GOSISDBHSA-N 0 3 298.430 2.389 20 30 CEEDHN C=C[C@H](CC)CC(=O)NC[C@H](C)NC/C=C/Cl ZINC001266965841 803027965 /nfs/dbraw/zinc/02/79/65/803027965.db2.gz ZQQJXNBNSXXSPZ-FNSAGKMKSA-N 0 3 258.793 2.436 20 30 CEEDHN CC#CCN[C@H](C)CNC(=O)[C@H](C)c1ccccc1C ZINC001266994562 803044456 /nfs/dbraw/zinc/04/44/56/803044456.db2.gz AIXIESOQFIGHDF-HUUCEWRRSA-N 0 3 272.392 2.216 20 30 CEEDHN COCC#CCN[C@@H](C)CNC(=O)C(C)(C)CC(C)(C)C 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/nfs/dbraw/zinc/00/95/63/809009563.db2.gz BUZMMIUSHLODKO-HZPDHXFCSA-N 0 3 286.375 2.144 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2CCCC2)C1 ZINC001032855509 809091869 /nfs/dbraw/zinc/09/18/69/809091869.db2.gz CWMKDQLAOZCWBL-AWEZNQCLSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C(C)CN1CC[C@]2(CCCN2C[C@H]2CCCCO2)C1=O ZINC001273092957 809207182 /nfs/dbraw/zinc/20/71/82/809207182.db2.gz JJJOSHBLAVINBJ-NVXWUHKLSA-N 0 3 292.423 2.199 20 30 CEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ncccc1F ZINC001273091586 809207379 /nfs/dbraw/zinc/20/73/79/809207379.db2.gz VGIZLUAWPLDSMM-SNVBAGLBSA-N 0 3 285.750 2.071 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033338526 809278185 /nfs/dbraw/zinc/27/81/85/809278185.db2.gz DIYGYAYHLMMYJY-LSDHHAIUSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc(F)c2F)C1 ZINC001033374446 809285855 /nfs/dbraw/zinc/28/58/55/809285855.db2.gz BBFDVBBAZLHXDO-GFCCVEGCSA-N 0 3 292.329 2.134 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccsc2)C1 ZINC001033409841 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C=C(C)CN1CC[C@@H](N(CC)C(=O)c2[nH]ccc2C)C1 ZINC001033820666 809429377 /nfs/dbraw/zinc/42/93/77/809429377.db2.gz MMIPBLIPYGFYEK-CQSZACIVSA-N 0 3 275.396 2.436 20 30 CEEDHN C=CCN1CC[C@@H](N(CC)C(=O)c2ccn3cncc3c2)C1 ZINC001033887812 809444242 /nfs/dbraw/zinc/44/42/42/809444242.db2.gz PFXLVZPCMALUED-OAHLLOKOSA-N 0 3 298.390 2.057 20 30 CEEDHN C=C1CCC(C(=O)N(CC)[C@H]2CCN(C[C@@H](C)O)C2)CC1 ZINC001033945071 809462361 /nfs/dbraw/zinc/46/23/61/809462361.db2.gz KDCGECRSAXTBDF-ZBFHGGJFSA-N 0 3 294.439 2.036 20 30 CEEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2cc(Cl)no2)C1 ZINC001034030917 809482681 /nfs/dbraw/zinc/48/26/81/809482681.db2.gz XQCSJQCRIRRBPI-LLVKDONJSA-N 0 3 297.786 2.441 20 30 CEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2occc2C)C1 ZINC001034105621 809515219 /nfs/dbraw/zinc/51/52/19/809515219.db2.gz UVXUZTXZAVIPME-CQSZACIVSA-N 0 3 274.364 2.196 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2[nH]ccc2C)C1 ZINC001034188964 809542745 /nfs/dbraw/zinc/54/27/45/809542745.db2.gz GZPFHIMCGFZHLJ-CYBMUJFWSA-N 0 3 261.369 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289.379 2.097 20 30 CEEDHN C[C@@H](C#N)C(=O)N1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001035672145 809804643 /nfs/dbraw/zinc/80/46/43/809804643.db2.gz GWYUSJIVENNZFP-HNNXBMFYSA-N 0 3 297.402 2.271 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](F)C(C)C)CC2 ZINC001035775212 809816880 /nfs/dbraw/zinc/81/68/80/809816880.db2.gz QWHOKWIPPCVOEL-CQSZACIVSA-N 0 3 282.403 2.481 20 30 CEEDHN CC(=O)N1CCC[C@H](C)[C@@H]1CNCc1ccc(C#N)s1 ZINC001036478305 809907900 /nfs/dbraw/zinc/90/79/00/809907900.db2.gz AEVNSFYOCOYVLL-NHYWBVRUSA-N 0 3 291.420 2.356 20 30 CEEDHN CCCCCC[C@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000709453450 809961820 /nfs/dbraw/zinc/96/18/20/809961820.db2.gz DCBJBLZOQOEQIV-STQMWFEESA-N 0 3 253.390 2.483 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCC1CCC2(CC2)CC1 ZINC000709973438 809977274 /nfs/dbraw/zinc/97/72/74/809977274.db2.gz YACOUZQMCKTLKN-ZDUSSCGKSA-N 0 3 263.385 2.094 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001079655130 810227092 /nfs/dbraw/zinc/22/70/92/810227092.db2.gz 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C#CCCN1CC[C@@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001015972464 810381438 /nfs/dbraw/zinc/38/14/38/810381438.db2.gz KBIOLSZWZFDTDL-DZGCQCFKSA-N 0 3 262.397 2.027 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC001121923692 815366812 /nfs/dbraw/zinc/36/68/12/815366812.db2.gz RAXWOIWICZTGHM-LLVKDONJSA-N 0 3 290.342 2.002 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CC2=CCCCC2)CC1 ZINC001016539739 810451091 /nfs/dbraw/zinc/45/10/91/810451091.db2.gz ANCZCTYIUYMDFI-INIZCTEOSA-N 0 3 286.419 2.481 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccoc2CC)CC1 ZINC001016599607 810455883 /nfs/dbraw/zinc/45/58/83/810455883.db2.gz ZFDJOVKKLPGOEA-HNNXBMFYSA-N 0 3 286.375 2.060 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)C(F)=C(C)C)[C@@H]2C1 ZINC001084275704 810456917 /nfs/dbraw/zinc/45/69/17/810456917.db2.gz GQMUCLBABUKGHG-CHWSQXEVSA-N 0 3 266.360 2.359 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001016654973 810459537 /nfs/dbraw/zinc/45/95/37/810459537.db2.gz SNWFREFRMVMPQL-OLZOCXBDSA-N 0 3 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810529270 /nfs/dbraw/zinc/52/92/70/810529270.db2.gz KIHFKKZFYZNFMW-OAGGEKHMSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)C3CC3)C[C@@H]21 ZINC001084913375 810543411 /nfs/dbraw/zinc/54/34/11/810543411.db2.gz LGZJINAKPLILKF-YUELXQCFSA-N 0 3 262.397 2.141 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC001122057525 815381600 /nfs/dbraw/zinc/38/16/00/815381600.db2.gz GUTUBRVGSDXCGY-CQSZACIVSA-N 0 3 299.378 2.104 20 30 CEEDHN CCO/C=C\[C@](O)(CN[C@@H]1CC[C@@H](C#N)C1)C(F)(F)F ZINC000823316143 810610449 /nfs/dbraw/zinc/61/04/49/810610449.db2.gz IXVOFCABKCOAQY-RRZDQKFSSA-N 0 3 292.301 2.112 20 30 CEEDHN C=CCCC(=O)N(CC)CCNCc1ccc(C#N)cc1 ZINC001273292672 810634621 /nfs/dbraw/zinc/63/46/21/810634621.db2.gz ADKYMNYNIQTHQK-UHFFFAOYSA-N 0 3 285.391 2.463 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC001018939379 810666560 /nfs/dbraw/zinc/66/65/60/810666560.db2.gz BMXPZUOJDUQBOS-KRWDZBQOSA-N 0 3 282.387 2.391 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CCc2cc(N)ccc21 ZINC001122148500 815387570 /nfs/dbraw/zinc/38/75/70/815387570.db2.gz RYELPKHRPRQXSG-CABCVRRESA-N 0 3 273.380 2.056 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc3c(cc(C)cc3C)[nH]2)C1 ZINC001019204682 810683704 /nfs/dbraw/zinc/68/37/04/810683704.db2.gz HSFQQFOSLLQHEN-AWEZNQCLSA-N 0 3 295.386 2.222 20 30 CEEDHN CC[C@@H](F)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001019246541 810690768 /nfs/dbraw/zinc/69/07/68/810690768.db2.gz MSRVLRBNNTWZFJ-GXFFZTMASA-N 0 3 295.383 2.058 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@H](CC)CC2CCCC2)C1 ZINC001019461506 810712052 /nfs/dbraw/zinc/71/20/52/810712052.db2.gz VXINFWFSQKQVNI-CVEARBPZSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(C(F)F)cc2)C1 ZINC001019516716 810717377 /nfs/dbraw/zinc/71/73/77/810717377.db2.gz JZRCOCNCCUGICF-ZDUSSCGKSA-N 0 3 278.302 2.062 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC001019623622 810723373 /nfs/dbraw/zinc/72/33/73/810723373.db2.gz IJOONJYFTIONJB-QWRGUYRKSA-N 0 3 296.823 2.329 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2)C1 ZINC001019697642 810731260 /nfs/dbraw/zinc/73/12/60/810731260.db2.gz HCPKQAYSRQAHPH-INIZCTEOSA-N 0 3 270.376 2.247 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc(CCC)c(C)s2)C1 ZINC001019748734 810736294 /nfs/dbraw/zinc/73/62/94/810736294.db2.gz BSUGSVDECIAUPS-AWEZNQCLSA-N 0 3 290.432 2.446 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@H]2CCCCc3ccccc32)C1 ZINC001019838820 810744340 /nfs/dbraw/zinc/74/43/40/810744340.db2.gz UPJSSOCFKSSWRS-WMZOPIPTSA-N 0 3 296.414 2.320 20 30 CEEDHN CCCCCCC[C@@H](CC)N(C)S(=O)(=O)CCN ZINC001172345868 815398721 /nfs/dbraw/zinc/39/87/21/815398721.db2.gz DUCSHFQUSHFOSD-CYBMUJFWSA-N 0 3 278.462 2.346 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ocnc1C ZINC001085534063 810810811 /nfs/dbraw/zinc/81/08/11/810810811.db2.gz ARNVFSLLHCYMAN-ZDUSSCGKSA-N 0 3 277.368 2.096 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1coc(C)n1 ZINC001085559766 810828175 /nfs/dbraw/zinc/82/81/75/810828175.db2.gz XAKXRPAJEJDXIA-CYBMUJFWSA-N 0 3 277.368 2.096 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001038416883 810837345 /nfs/dbraw/zinc/83/73/45/810837345.db2.gz PWTITZBSLMZWCW-AWEZNQCLSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccn2ccccc12 ZINC001038504964 810851619 /nfs/dbraw/zinc/85/16/19/810851619.db2.gz SXEXDMMWOLBANL-CQSZACIVSA-N 0 3 283.375 2.320 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001038532458 810856163 /nfs/dbraw/zinc/85/61/63/810856163.db2.gz NKOACWDPAOFBLZ-IIAWOOMASA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnc2cc[nH]c2c1 ZINC001085665592 810869469 /nfs/dbraw/zinc/86/94/69/810869469.db2.gz LLXNJCRSEREMTB-AWEZNQCLSA-N 0 3 298.390 2.285 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccncc1CC ZINC001085684279 810878876 /nfs/dbraw/zinc/87/88/76/810878876.db2.gz OBDCDSLKBHMOQS-HNNXBMFYSA-N 0 3 287.407 2.366 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001038668186 810884474 /nfs/dbraw/zinc/88/44/74/810884474.db2.gz RZVLETIMTYNQDQ-RUXDESIVSA-N 0 3 268.376 2.281 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cccc(OCC)c1 ZINC001038746777 810905662 /nfs/dbraw/zinc/90/56/62/810905662.db2.gz BIRAHOXNMSGKSY-OAHLLOKOSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc2c(c1)COC2 ZINC001038815295 810921658 /nfs/dbraw/zinc/92/16/58/810921658.db2.gz ZBDHFJWWKPWABS-MRXNPFEDSA-N 0 3 286.375 2.097 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(OC)o1 ZINC001085892422 810958977 /nfs/dbraw/zinc/95/89/77/810958977.db2.gz YMBJQSQSQMOJTF-CYBMUJFWSA-N 0 3 292.379 2.401 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCO1 ZINC001039340960 811013455 /nfs/dbraw/zinc/01/34/55/811013455.db2.gz CBHKOAKNYPXAPN-OWCLPIDISA-N 0 3 292.423 2.197 20 30 CEEDHN CC[C@H](C)CC(=O)N[C@H]1CCCN(CC#CCOC)CC1 ZINC001273408694 811057562 /nfs/dbraw/zinc/05/75/62/811057562.db2.gz DAPUDGAYEBGUJY-HOTGVXAUSA-N 0 3 294.439 2.043 20 30 CEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3coc(C)n3)C2)C1 ZINC001040168327 811092459 /nfs/dbraw/zinc/09/24/59/811092459.db2.gz OJFBWDZVHREEAF-MRXNPFEDSA-N 0 3 289.379 2.097 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C3(CF)CCC3)C2)C1 ZINC001040409152 811109331 /nfs/dbraw/zinc/10/93/31/811109331.db2.gz VDNIJNCLMYOKMB-MRXNPFEDSA-N 0 3 292.398 2.074 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C3CC4(CC4)C3)C2)C1 ZINC001040388315 811110120 /nfs/dbraw/zinc/11/01/20/811110120.db2.gz MSDWFSAYBLIIOA-GOSISDBHSA-N 0 3 286.419 2.124 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)c3cc(C)[nH]c3C)C2)C1 ZINC001040417166 811110802 /nfs/dbraw/zinc/11/08/02/811110802.db2.gz CBONLFAEACUSID-GOSISDBHSA-N 0 3 299.418 2.193 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1 ZINC001040779736 811123681 /nfs/dbraw/zinc/12/36/81/811123681.db2.gz OKYKKJWDFCEKSC-CRAIPNDOSA-N 0 3 286.419 2.124 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)[C@H]3CC[C@H](F)C3)C2)CC1 ZINC001040820678 811125440 /nfs/dbraw/zinc/12/54/40/811125440.db2.gz UNJFAXGWQIGTMS-GJZGRUSLSA-N 0 3 292.398 2.072 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC001041072653 811139639 /nfs/dbraw/zinc/13/96/39/811139639.db2.gz LGKFPMBVBWNGIS-QGZVFWFLSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@@]3(C)CC=CCC3)C2)C1 ZINC001041318972 811160708 /nfs/dbraw/zinc/16/07/08/811160708.db2.gz YCHDJMKIWLOQJF-ZWKOTPCHSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)C[C@@H]3C=CCCC3)C2)C1 ZINC001041398450 811164657 /nfs/dbraw/zinc/16/46/57/811164657.db2.gz IZPNXCHJLMMNCF-SJLPKXTDSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3ccc(CC)o3)C2)C1 ZINC001041414301 811166733 /nfs/dbraw/zinc/16/67/33/811166733.db2.gz HSHILKVBDBHYQG-KRWDZBQOSA-N 0 3 286.375 2.013 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC001041480685 811169252 /nfs/dbraw/zinc/16/92/52/811169252.db2.gz CKPJEFNDYSHYHA-KRWDZBQOSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3ccc(C)c(C)c3)C2)C1 ZINC001041813491 811194755 /nfs/dbraw/zinc/19/47/55/811194755.db2.gz BLKTXCRFAXRBIF-IBGZPJMESA-N 0 3 296.414 2.475 20 30 CEEDHN CC(=O)N1CC[C@H]2CCN(Cc3ccc(C#N)cc3)[C@H]2C1 ZINC001041865658 811200594 /nfs/dbraw/zinc/20/05/94/811200594.db2.gz BJEQABQGRWTDST-IRXDYDNUSA-N 0 3 283.375 2.001 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)C(C)(C)F)C[C@H]21 ZINC001041887749 811206173 /nfs/dbraw/zinc/20/61/73/811206173.db2.gz OVVHIYDVRZUQTD-CHWSQXEVSA-N 0 3 268.376 2.233 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3c(C)ccn3C)C[C@@H]21 ZINC001042031426 811235184 /nfs/dbraw/zinc/23/51/84/811235184.db2.gz GECKVVHPOXEZFT-GJZGRUSLSA-N 0 3 287.407 2.056 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CC3(C)CC3)C[C@@H]21 ZINC001042159342 811248493 /nfs/dbraw/zinc/24/84/93/811248493.db2.gz APIIHLZUVNVHPN-CABCVRRESA-N 0 3 274.408 2.123 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C)c(C)cn3)C[C@@H]21 ZINC001042162536 811249888 /nfs/dbraw/zinc/24/98/88/811249888.db2.gz JRBMXIUKVJADCT-WBVHZDCISA-N 0 3 299.418 2.421 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3(C)CCC3)C[C@H]21 ZINC001042190125 811255089 /nfs/dbraw/zinc/25/50/89/811255089.db2.gz LLSIWWZFDYARHO-HUUCEWRRSA-N 0 3 274.408 2.123 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3(CF)CCC3)C[C@H]21 ZINC001042242213 811262316 /nfs/dbraw/zinc/26/23/16/811262316.db2.gz JRJOLCQAVXCIFS-HUUCEWRRSA-N 0 3 292.398 2.072 20 30 CEEDHN N#Cc1ccc2c(c1)CN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169012558 811335306 /nfs/dbraw/zinc/33/53/06/811335306.db2.gz RDFBHEBOTFUURJ-CJNGLKHVSA-N 0 3 285.347 2.362 20 30 CEEDHN COc1nc(-n2ccc([C@@H](C)N)n2)c(C#N)c(C)c1Cl ZINC001169227918 811440059 /nfs/dbraw/zinc/44/00/59/811440059.db2.gz HYWMLFAOCPRBLL-MRVPVSSYSA-N 0 3 291.742 2.129 20 30 CEEDHN COC(=O)C[C@@H](N[C@@H](C)CCCC#N)c1ccccn1 ZINC001172489631 815450911 /nfs/dbraw/zinc/45/09/11/815450911.db2.gz XEMFAKLWUIATTO-GXTWGEPZSA-N 0 3 275.352 2.358 20 30 CEEDHN CCCNC(=O)[C@@H]1CCCCN1[C@@H](C)CCCC#N ZINC001172507656 815457419 /nfs/dbraw/zinc/45/74/19/815457419.db2.gz XVCAMOBWLDHHGM-KBPBESRZSA-N 0 3 265.401 2.449 20 30 CEEDHN C[C@@H](CCCC#N)N1CC2(CN(c3ccccc3)C2=O)C1 ZINC001172507009 815457492 /nfs/dbraw/zinc/45/74/92/815457492.db2.gz NLMUZVXSZUQJOB-AWEZNQCLSA-N 0 3 283.375 2.418 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cc(CC)ccn2)CC1 ZINC001045449109 811613501 /nfs/dbraw/zinc/61/35/01/811613501.db2.gz YTBOISJRADKQNX-UHFFFAOYSA-N 0 3 287.407 2.414 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1C[C@H]1C(C)C ZINC001169681174 811619338 /nfs/dbraw/zinc/61/93/38/811619338.db2.gz NLOQOKAEVQILDJ-NWDGAFQWSA-N 0 3 258.793 2.127 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cnn3ccccc23)CC1 ZINC001045588651 811630313 /nfs/dbraw/zinc/63/03/13/811630313.db2.gz CXNSTAKPMNNISS-UHFFFAOYSA-N 0 3 298.390 2.105 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccccc2C)C1 ZINC001046112943 811690122 /nfs/dbraw/zinc/69/01/22/811690122.db2.gz YQAKVVRCBPFXAR-KRWDZBQOSA-N 0 3 270.376 2.213 20 30 CEEDHN N#Cc1ccccc1CN[C@H]1CCCC2(C1)OCCO2 ZINC001169906807 811709286 /nfs/dbraw/zinc/70/92/86/811709286.db2.gz XQAZMGBFEITNSW-HNNXBMFYSA-N 0 3 272.348 2.334 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2CC2(C)C)C1 ZINC001046240018 811719243 /nfs/dbraw/zinc/71/92/43/811719243.db2.gz WGRZSIISFCPTBI-IUODEOHRSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2[nH]ccc2C)C1 ZINC001046282715 811730414 /nfs/dbraw/zinc/73/04/14/811730414.db2.gz FMXRAQVULFNQTK-HNNXBMFYSA-N 0 3 261.369 2.093 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccsc2C)C1 ZINC001046309484 811734516 /nfs/dbraw/zinc/73/45/16/811734516.db2.gz RBHGIRPZNAFENI-OAHLLOKOSA-N 0 3 276.405 2.274 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cccc3n[nH]cc32)C1 ZINC001046526926 811769133 /nfs/dbraw/zinc/76/91/33/811769133.db2.gz DXHRANSJSOMULG-KRWDZBQOSA-N 0 3 298.390 2.333 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)C2CC3(CCC3)C2)C1 ZINC001046550427 811772605 /nfs/dbraw/zinc/77/26/05/811772605.db2.gz HFORBFBAOUYJNM-INIZCTEOSA-N 0 3 274.408 2.171 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)c2ccn(CC)c2C)C1 ZINC001046565425 811775660 /nfs/dbraw/zinc/77/56/60/811775660.db2.gz LZUQFDSBDUVXTR-INIZCTEOSA-N 0 3 275.396 2.197 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001046573038 811777864 /nfs/dbraw/zinc/77/78/64/811777864.db2.gz FFSCLUHSCTZHNN-WBVHZDCISA-N 0 3 288.366 2.232 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2occc2Cl)C1 ZINC001046595457 811780595 /nfs/dbraw/zinc/78/05/95/811780595.db2.gz HNDINPYUXCKTJS-AWEZNQCLSA-N 0 3 280.755 2.151 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)C2CCC(=C)CC2)C1 ZINC001046595212 811781030 /nfs/dbraw/zinc/78/10/30/811781030.db2.gz YKWDDTJOGKXHCZ-KRWDZBQOSA-N 0 3 274.408 2.337 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001046609369 811786027 /nfs/dbraw/zinc/78/60/27/811786027.db2.gz HXUCMEJEIKXYCQ-AWEZNQCLSA-N 0 3 298.337 2.118 20 30 CEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)C)C2 ZINC001108938993 811795099 /nfs/dbraw/zinc/79/50/99/811795099.db2.gz TYIGXYUQPUXHAI-ILXRZTDVSA-N 0 3 294.439 2.347 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cnn(C(F)F)c2)C1 ZINC001046731111 811807104 /nfs/dbraw/zinc/80/71/04/811807104.db2.gz HMNHAAAXGVRTGZ-AWEZNQCLSA-N 0 3 298.337 2.049 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)c2ccc(N(C)C)cc2)C1 ZINC001046801947 811820015 /nfs/dbraw/zinc/82/00/15/811820015.db2.gz RIUSHOJCQQEUCW-QGZVFWFLSA-N 0 3 287.407 2.133 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc(C(F)F)o2)C1 ZINC001046806204 811820195 /nfs/dbraw/zinc/82/01/95/811820195.db2.gz OZWDUYJNNCMHND-HNNXBMFYSA-N 0 3 296.317 2.435 20 30 CEEDHN C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C(C)C ZINC001109204116 811841254 /nfs/dbraw/zinc/84/12/54/811841254.db2.gz DAWYBBQVPBAAGX-PMPSAXMXSA-N 0 3 274.408 2.478 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)/C=C/c1ncccc1C ZINC001156672800 811875215 /nfs/dbraw/zinc/87/52/15/811875215.db2.gz YMYBOEQTXXQHHX-MDZDMXLPSA-N 0 3 287.407 2.370 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(C)(C)C)C2 ZINC001109451156 811893423 /nfs/dbraw/zinc/89/34/23/811893423.db2.gz DDXFUTMBRNZICB-KBXIAJHMSA-N 0 3 276.424 2.413 20 30 CEEDHN C=C(Br)CNCCCNC(=O)C[C@@H](C)CC ZINC001157141120 812016209 /nfs/dbraw/zinc/01/62/09/812016209.db2.gz PBFBBAIFJZTVDK-JTQLQIEISA-N 0 3 291.233 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C=CCN1C[C@H](NC(=O)/C=C(/C)CC)CC[C@@H]1C ZINC001132013602 812774402 /nfs/dbraw/zinc/77/44/02/812774402.db2.gz LIMWYMAQNCRGNY-WXLZEUHASA-N 0 3 250.386 2.498 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)Cc3cccnc3C)[C@@H]2C1 ZINC001050138389 812788257 /nfs/dbraw/zinc/78/82/57/812788257.db2.gz BQABTNHBKFXDPJ-DLBZAZTESA-N 0 3 299.418 2.041 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cc4c([nH]3)CCC4)[C@@H]2C1 ZINC001050180212 812792950 /nfs/dbraw/zinc/79/29/50/812792950.db2.gz FJXZPMAXSDHZOD-WMLDXEAASA-N 0 3 299.418 2.226 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CCc2cccnc2)CC[C@H]1C ZINC001132160585 812794349 /nfs/dbraw/zinc/79/43/49/812794349.db2.gz OALJHHIOEXLBJR-GDBMZVCRSA-N 0 3 287.407 2.169 20 30 CEEDHN C=CCCCC(=O)N[C@H]1CC[C@H](C)N(CCOCC)C1 ZINC001132249845 812811948 /nfs/dbraw/zinc/81/19/48/812811948.db2.gz TWKWOFNLSOTNIO-GJZGRUSLSA-N 0 3 282.428 2.348 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2(CC)CC2)CC[C@H]1C ZINC001132283139 812815005 /nfs/dbraw/zinc/81/50/05/812815005.db2.gz SKYPGWGFDXSQPQ-ZIAGYGMSSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)C3C(C)(C)C3(C)C)C2)CC1 ZINC001050475937 812830849 /nfs/dbraw/zinc/83/08/49/812830849.db2.gz BEDZDUKTCHXFQR-UHFFFAOYSA-N 0 3 288.435 2.226 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C3=CCCC3)C2)CC1 ZINC001050487448 812831147 /nfs/dbraw/zinc/83/11/47/812831147.db2.gz PHPICSRALCTNEA-UHFFFAOYSA-N 0 3 272.392 2.044 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1 ZINC001050600000 812842184 /nfs/dbraw/zinc/84/21/84/812842184.db2.gz LVRZCVGGDWTAGC-CRAIPNDOSA-N 0 3 286.419 2.124 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)Cc3ccccc3C)C2)CC1 ZINC001050749028 812858250 /nfs/dbraw/zinc/85/82/50/812858250.db2.gz DYJXBGJINYFZIH-UHFFFAOYSA-N 0 3 296.414 2.095 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CCCn2cccc2)CC[C@@H]1C ZINC001132512997 812875277 /nfs/dbraw/zinc/87/52/77/812875277.db2.gz MXCJWGANOKYWIJ-JKSUJKDBSA-N 0 3 289.423 2.423 20 30 CEEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1cncc(C)c1 ZINC001132569294 812893952 /nfs/dbraw/zinc/89/39/52/812893952.db2.gz 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C=CCN1CCC2(CN(C(=O)c3cc(C)c(CC)o3)C2)C1 ZINC001073123030 813727502 /nfs/dbraw/zinc/72/75/02/813727502.db2.gz DXHSPGVABLBNQL-UHFFFAOYSA-N 0 3 288.391 2.484 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3ccccc3N(C)C)C2)C1 ZINC001073482105 813757068 /nfs/dbraw/zinc/75/70/68/813757068.db2.gz XIZHAYQVQBNHEX-UHFFFAOYSA-N 0 3 299.418 2.087 20 30 CEEDHN COc1ncc(CN2CCC3SC(=O)C=C3C2)cc1C ZINC001137001314 813827359 /nfs/dbraw/zinc/82/73/59/813827359.db2.gz HVWCTGXYYZWVMV-CYBMUJFWSA-N 0 3 290.388 2.173 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C2CC2)C1 ZINC001098774557 813947725 /nfs/dbraw/zinc/94/77/25/813947725.db2.gz CVVMBFBWYBWAJK-NOLJZWGESA-N 0 3 262.397 2.189 20 30 CEEDHN CCCCCN1CCN(Cc2cncc(C#N)c2)CC1 ZINC001144079697 813952053 /nfs/dbraw/zinc/95/20/53/813952053.db2.gz CSNUJKMZYWPKJL-UHFFFAOYSA-N 0 3 272.396 2.261 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc[nH]c2CC)C1 ZINC001098823163 813954245 /nfs/dbraw/zinc/95/42/45/813954245.db2.gz NMZRKNNXYXKANK-KSSFIOAISA-N 0 3 299.418 2.185 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC23CCC3)C1 ZINC001099054938 813982251 /nfs/dbraw/zinc/98/22/51/813982251.db2.gz LIEXIHGODPRORX-DAYGRLMNSA-N 0 3 286.419 2.171 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2oncc2C)C1 ZINC001099101473 813988179 /nfs/dbraw/zinc/98/81/79/813988179.db2.gz BBLMZDVGDBTLNE-BBRMVZONSA-N 0 3 289.379 2.143 20 30 CEEDHN C=CCN1C[C@H](NC(=O)/C(C)=C\C)CC2(CCOCC2)C1 ZINC001099574281 814013813 /nfs/dbraw/zinc/01/38/13/814013813.db2.gz CBHMFTRZTVRMKE-NUKWSGDCSA-N 0 3 292.423 2.126 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(CC=C(C)C)C[C@H]1O ZINC001099941378 814046209 /nfs/dbraw/zinc/04/62/09/814046209.db2.gz AIDIBCIVZWEPIY-LSDHHAIUSA-N 0 3 294.439 2.106 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cn(C)cn1 ZINC001171175397 814055775 /nfs/dbraw/zinc/05/57/75/814055775.db2.gz KCOADIFLCOYTLU-LBPRGKRZSA-N 0 3 254.337 2.013 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2nccn2C(C)C)CC1 ZINC001144417925 814060114 /nfs/dbraw/zinc/06/01/14/814060114.db2.gz NCFQOVDGPQTDRG-UHFFFAOYSA-N 0 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290.451 2.472 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)CCC3(C)CC3)C[C@]2(C)C1 ZINC001101416176 814257940 /nfs/dbraw/zinc/25/79/40/814257940.db2.gz AWTJKRYNVJVJBX-QAPCUYQASA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCN1CCC[C@H]1CNc1cc(COC)ccn1 ZINC001160953017 814284759 /nfs/dbraw/zinc/28/47/59/814284759.db2.gz MVFCKSZMEVQZSO-AWEZNQCLSA-N 0 3 261.369 2.290 20 30 CEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C(F)F)C1 ZINC001102629449 814401280 /nfs/dbraw/zinc/40/12/80/814401280.db2.gz NNEZNNRWTMHXHR-PSASIEDQSA-N 0 3 280.746 2.078 20 30 CEEDHN C=CCCC(=O)N1CC2(C1)CCN(CCOCC(C)C)C2 ZINC001147180484 814402583 /nfs/dbraw/zinc/40/25/83/814402583.db2.gz BDIVVMLKJJUSBC-UHFFFAOYSA-N 0 3 294.439 2.160 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@@H](C)CC)C2)C1 ZINC001147449738 814450217 /nfs/dbraw/zinc/45/02/17/814450217.db2.gz AGTSASXWFXBNIE-ZDUSSCGKSA-N 0 3 250.386 2.143 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@@H](C)C(F)(F)F)C2)C1 ZINC001148205606 814535236 /nfs/dbraw/zinc/53/52/36/814535236.db2.gz 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ZINC001138623508 815847236 /nfs/dbraw/zinc/84/72/36/815847236.db2.gz HKXBFKYMWSSVHN-HNNXBMFYSA-N 0 3 261.365 2.468 20 30 CEEDHN O=C1C=C2CN(Cc3cnc4ccccc4n3)CCC2S1 ZINC001138864938 815917738 /nfs/dbraw/zinc/91/77/38/815917738.db2.gz MHHOIMPIAXTVJS-HNNXBMFYSA-N 0 3 297.383 2.404 20 30 CEEDHN C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)CC[C@H]1O ZINC001139526234 816038176 /nfs/dbraw/zinc/03/81/76/816038176.db2.gz XNKGDVORFMSRTO-IAQYHMDHSA-N 0 3 262.328 2.290 20 30 CEEDHN C[C@H]1CCN(Cc2ccc(C#N)c(F)c2)CC[C@@H]1O ZINC001139526235 816039397 /nfs/dbraw/zinc/03/93/97/816039397.db2.gz XNKGDVORFMSRTO-NHYWBVRUSA-N 0 3 262.328 2.290 20 30 CEEDHN Cc1cc(Nc2c(C#N)cnn2C(C)(C)C)ccn1 ZINC001174650852 816065038 /nfs/dbraw/zinc/06/50/38/816065038.db2.gz CNEWOFQUKPZULH-UHFFFAOYSA-N 0 3 255.325 2.379 20 30 CEEDHN C=CCn1cc(CN2CCc3ncnc(CC)c3CC2)cn1 ZINC001139769891 816110619 /nfs/dbraw/zinc/11/06/19/816110619.db2.gz UFFKBHKCUMAWDK-UHFFFAOYSA-N 0 3 297.406 2.022 20 30 CEEDHN C=CCn1cc(CN2CCC3(C[C@H]3CCO)CC2)cn1 ZINC001139767978 816110652 /nfs/dbraw/zinc/11/06/52/816110652.db2.gz HAHLELHWGIDEJO-OAHLLOKOSA-N 0 3 275.396 2.054 20 30 CEEDHN C=CCN1CC[C@]2(CCCN(Cc3ccc(C)nc3)C2)C1=O ZINC001139931287 816144497 /nfs/dbraw/zinc/14/44/97/816144497.db2.gz PFCVSWRNPFOOLY-SFHVURJKSA-N 0 3 299.418 2.391 20 30 CEEDHN CCN1CCN(c2ccc(CN(C)[C@H](C)C#N)cc2)CC1 ZINC001140309631 816226601 /nfs/dbraw/zinc/22/66/01/816226601.db2.gz OHRDTHPPGIAEMW-OAHLLOKOSA-N 0 3 286.423 2.172 20 30 CEEDHN COCC[C@H]1CCCCN1Cc1ccc(C#N)nc1 ZINC001140544062 816283067 /nfs/dbraw/zinc/28/30/67/816283067.db2.gz XBZYKCFJULFAQT-OAHLLOKOSA-N 0 3 259.353 2.344 20 30 CEEDHN N#Cc1c(F)cc(CN2CCN(CC3CC3)CC2)cc1F ZINC001140754061 816344346 /nfs/dbraw/zinc/34/43/46/816344346.db2.gz NXFHJMDKYPRICW-UHFFFAOYSA-N 0 3 291.345 2.364 20 30 CEEDHN CCN1C[C@@H]2C[C@H]1CN2Cc1cc(F)c(C#N)c(F)c1 ZINC001140755790 816346168 /nfs/dbraw/zinc/34/61/68/816346168.db2.gz STTDFTSRHWRQKX-RYUDHWBXSA-N 0 3 277.318 2.115 20 30 CEEDHN C#CCN(C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076470 816471722 /nfs/dbraw/zinc/47/17/22/816471722.db2.gz SMWQQRYCGSRZGR-UHFFFAOYSA-N 0 3 254.377 2.450 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@@H](F)Cc1ccccc1 ZINC001176799035 816483242 /nfs/dbraw/zinc/48/32/42/816483242.db2.gz AKCBZIJEDFHWGC-AWEZNQCLSA-N 0 3 298.789 2.416 20 30 CEEDHN C#CCNC(=O)CN(C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000839171073 816564972 /nfs/dbraw/zinc/56/49/72/816564972.db2.gz YAUZCZQVCQYVSS-HZPDHXFCSA-N 0 3 270.376 2.004 20 30 CEEDHN C#CCNC(=O)CN(C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000839171071 816565309 /nfs/dbraw/zinc/56/53/09/816565309.db2.gz YAUZCZQVCQYVSS-CVEARBPZSA-N 0 3 270.376 2.004 20 30 CEEDHN C[C@H]1[C@@H](NCc2ccccn2)CCN1C(=O)C#CC(C)(C)C ZINC001178672023 816778055 /nfs/dbraw/zinc/77/80/55/816778055.db2.gz WUWSANQTUWINOC-HOCLYGCPSA-N 0 3 299.418 2.210 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C(F)=C(C)C)C1 ZINC001149536827 816876101 /nfs/dbraw/zinc/87/61/01/816876101.db2.gz ZLWUJVKGCHVODD-ZDUSSCGKSA-N 0 3 284.375 2.033 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NC[C@H](n2cncn2)C(F)(F)F)C1 ZINC000601295609 346814770 /nfs/dbraw/zinc/81/47/70/346814770.db2.gz YJWGUYJCBCMTKT-VWYCJHECSA-N 0 3 287.289 2.053 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1COCC[C@H]1O ZINC000601306252 346815989 /nfs/dbraw/zinc/81/59/89/346815989.db2.gz DWXJSOXDTUXSAK-GVDBMIGSSA-N 0 3 286.375 2.065 20 30 CEEDHN C#CCNC(=O)[C@H](C)N(CCC)Cc1ccccc1 ZINC000297969518 260139826 /nfs/dbraw/zinc/13/98/26/260139826.db2.gz VDBHOIQPLMAKTO-AWEZNQCLSA-N 0 3 258.365 2.037 20 30 CEEDHN C[C@@H](O)C[C@@H]1CCCN1Cc1ccc(C#N)s1 ZINC000127725224 187329156 /nfs/dbraw/zinc/32/91/56/187329156.db2.gz QDFYWZIUCGQOKU-MNOVXSKESA-N 0 3 250.367 2.355 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000336491653 365584955 /nfs/dbraw/zinc/58/49/55/365584955.db2.gz MFGGCKAHARGMIU-BLLLJJGKSA-N 0 3 270.332 2.142 20 30 CEEDHN CC1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000034651551 361792888 /nfs/dbraw/zinc/79/28/88/361792888.db2.gz REDMQFGAUIGXNO-OAHLLOKOSA-N 0 3 274.364 2.030 20 30 CEEDHN Cn1ccnc1CC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000121772487 365613863 /nfs/dbraw/zinc/61/38/63/365613863.db2.gz BDEBMVFDYLZTLM-UHFFFAOYSA-N 0 3 284.363 2.339 20 30 CEEDHN N#CC(C(=O)c1cccnc1)c1nc2ccccc2[nH]1 ZINC000122663066 365630515 /nfs/dbraw/zinc/63/05/15/365630515.db2.gz UWDWAVHDVJGYOU-LLVKDONJSA-N 0 3 262.272 2.448 20 30 CEEDHN CCN(CC(=O)Nc1ccc(C#N)cc1)CC(C)C ZINC000037111582 361896668 /nfs/dbraw/zinc/89/66/68/361896668.db2.gz XJZLDKOZBORWKA-UHFFFAOYSA-N 0 3 259.353 2.475 20 30 CEEDHN CC1(C)CCCN1CCNC(=O)c1ccccc1CC#N ZINC000601623711 346863884 /nfs/dbraw/zinc/86/38/84/346863884.db2.gz XXXYHTGPVUBMJT-UHFFFAOYSA-N 0 3 285.391 2.357 20 30 CEEDHN N#Cc1ccc(CNCCc2cccnc2)c(F)c1 ZINC000037718471 361924252 /nfs/dbraw/zinc/92/42/52/361924252.db2.gz FCOAJNOYXCAEIQ-UHFFFAOYSA-N 0 3 255.296 2.425 20 30 CEEDHN C[C@@H](N[C@@H](C)CN1CCCC1=O)c1ccc(C#N)cc1 ZINC000037782180 361936057 /nfs/dbraw/zinc/93/60/57/361936057.db2.gz CGWSPDZPJZFRBO-QWHCGFSZSA-N 0 3 271.364 2.220 20 30 CEEDHN C[C@H](CN1CCCC1=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000037782682 361936969 /nfs/dbraw/zinc/93/69/69/361936969.db2.gz CRJKDPZZDXDZIL-OLZOCXBDSA-N 0 3 271.364 2.220 20 30 CEEDHN CN(CCn1cc(C#N)cn1)Cc1ccc(F)cc1 ZINC000337935796 214319661 /nfs/dbraw/zinc/31/96/61/214319661.db2.gz NPIPLADEMCFGFE-UHFFFAOYSA-N 0 3 258.300 2.026 20 30 CEEDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1nccs1 ZINC000330271228 290023580 /nfs/dbraw/zinc/02/35/80/290023580.db2.gz VPHYOPIEVJSQFU-GDPRMGEGSA-N 0 3 281.381 2.277 20 30 CEEDHN C=CC[C@@H]1CCCN(Cc2cnc(N(C)C)n2C)C1 ZINC000668493841 539183854 /nfs/dbraw/zinc/18/38/54/539183854.db2.gz RZMGLCKTOCBEDB-CYBMUJFWSA-N 0 3 262.401 2.274 20 30 CEEDHN CCOC(=O)[C@@H]1CC[C@H](NCc2ccc(C#N)cc2)C1 ZINC000125841715 187202399 /nfs/dbraw/zinc/20/23/99/187202399.db2.gz NLELHWCFSCJWHH-CABCVRRESA-N 0 3 272.348 2.380 20 30 CEEDHN N#C[C@H]1CC[C@@H](N2CCC(CN3CCCCC3=O)CC2)C1 ZINC000336602014 365704289 /nfs/dbraw/zinc/70/42/89/365704289.db2.gz UPKVGHNGYPLIQJ-JKSUJKDBSA-N 0 3 289.423 2.403 20 30 CEEDHN CC(C)C[C@@H](CNC(=O)c1cccc(C#N)c1)N(C)C ZINC000042583610 362104982 /nfs/dbraw/zinc/10/49/82/362104982.db2.gz VNBLMJFEERQJFK-HNNXBMFYSA-N 0 3 273.380 2.264 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)o1 ZINC000336613011 365719862 /nfs/dbraw/zinc/71/98/62/365719862.db2.gz OFYUXWKADGZVSB-CHWSQXEVSA-N 0 3 260.337 2.400 20 30 CEEDHN C#CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000126791289 365722645 /nfs/dbraw/zinc/72/26/45/365722645.db2.gz HGIBQURCOZIXKI-MRXNPFEDSA-N 0 3 285.391 2.064 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)C1CC1)C(C)C ZINC000046049364 362174463 /nfs/dbraw/zinc/17/44/63/362174463.db2.gz IDGJOEWUTADUEX-CQSZACIVSA-N 0 3 250.386 2.211 20 30 CEEDHN CN(CCCCC#N)C[C@@H]1COc2ccccc2O1 ZINC000034148058 343418678 /nfs/dbraw/zinc/41/86/78/343418678.db2.gz ONBRCVYMKOAXSL-CYBMUJFWSA-N 0 3 260.337 2.452 20 30 CEEDHN C=C(C)CN(CC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046444530 343499393 /nfs/dbraw/zinc/49/93/93/343499393.db2.gz IUEDEFIZDJLEHB-AWEZNQCLSA-N 0 3 294.351 2.233 20 30 CEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1CCC1 ZINC000065931249 343704244 /nfs/dbraw/zinc/70/42/44/343704244.db2.gz BXUXBQZYGVVRFE-UHFFFAOYSA-N 0 3 285.391 2.249 20 30 CEEDHN C[C@H](CNC(=O)c1ccc(C#N)cc1)N1CCC(C)CC1 ZINC000067273424 343732804 /nfs/dbraw/zinc/73/28/04/343732804.db2.gz JHPUOUCCUGEVCY-CQSZACIVSA-N 0 3 285.391 2.408 20 30 CEEDHN CCCN(CCC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000070926438 343797018 /nfs/dbraw/zinc/79/70/18/343797018.db2.gz QIBNHPLCEAGSMB-AWEZNQCLSA-N 0 3 253.390 2.163 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2OC3CCC2CC3)cc1 ZINC000602212550 346995178 /nfs/dbraw/zinc/99/51/78/346995178.db2.gz WCXXTPZZHKQZIU-FHERZECASA-N 0 3 295.342 2.326 20 30 CEEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1cnccn1 ZINC000602176163 346988526 /nfs/dbraw/zinc/98/85/26/346988526.db2.gz FUPJXNQZOSKKPB-ZFWWWQNUSA-N 0 3 294.358 2.426 20 30 CEEDHN COC[C@H](C)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000075715157 343863706 /nfs/dbraw/zinc/86/37/06/343863706.db2.gz DFGSJWDOOUYXBR-ZDUSSCGKSA-N 0 3 274.364 2.436 20 30 CEEDHN COC1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000048393162 362264530 /nfs/dbraw/zinc/26/45/30/362264530.db2.gz AEWUUHOPINSHCK-UHFFFAOYSA-N 0 3 293.392 2.059 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC#Cc1ccccc1 ZINC000085389039 344095113 /nfs/dbraw/zinc/09/51/13/344095113.db2.gz CDRKGMLWPPNFBH-WBVHZDCISA-N 0 3 299.418 2.020 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(Cc2noc(C)n2)CC1 ZINC000091514356 344166468 /nfs/dbraw/zinc/16/64/68/344166468.db2.gz GIEBYRYNBABLQL-CYBMUJFWSA-N 0 3 278.400 2.240 20 30 CEEDHN CC(C)(C)CN(CCCO)Cc1ccc(C#N)o1 ZINC000093146097 344215167 /nfs/dbraw/zinc/21/51/67/344215167.db2.gz HHWHZFGRSCAVKG-UHFFFAOYSA-N 0 3 250.342 2.382 20 30 CEEDHN COC(=O)C(C)(C)[C@@H]1CCCN(CCCC#N)C1 ZINC000093281087 344217990 /nfs/dbraw/zinc/21/79/90/344217990.db2.gz GKEYFGQYLOZQHB-GFCCVEGCSA-N 0 3 252.358 2.201 20 30 CEEDHN C#CCCOc1ccc(CN(C)CC[C@@H](C)O)cc1 ZINC000093481582 344224786 /nfs/dbraw/zinc/22/47/86/344224786.db2.gz SRZNKZANRWJZMA-CQSZACIVSA-N 0 3 261.365 2.291 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)CC1CCCC1 ZINC000049492017 362368249 /nfs/dbraw/zinc/36/82/49/362368249.db2.gz MMMVFCCRGMBWIG-HNNXBMFYSA-N 0 3 265.401 2.163 20 30 CEEDHN C#CC[C@H](NC(=O)CN(C)C(C)C)c1ccccc1 ZINC000270408710 190674319 /nfs/dbraw/zinc/67/43/19/190674319.db2.gz DJKOBFDGRXTIAI-HNNXBMFYSA-N 0 3 258.365 2.207 20 30 CEEDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1ccnc(C#N)c1 ZINC000124180305 344313494 /nfs/dbraw/zinc/31/34/94/344313494.db2.gz WYNYMUSKMFDXEF-CJNGLKHVSA-N 0 3 273.380 2.469 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000121806267 344304336 /nfs/dbraw/zinc/30/43/36/344304336.db2.gz XNOUZBYIBXGCPJ-OAHLLOKOSA-N 0 3 283.375 2.081 20 30 CEEDHN CCCCN1CCCC[C@@H]1CNC(=O)C1(C#N)CCC1 ZINC000134737129 344376895 /nfs/dbraw/zinc/37/68/95/344376895.db2.gz YJSPUSSFWVCRME-CQSZACIVSA-N 0 3 277.412 2.451 20 30 CEEDHN CCOC(=O)[C@@H]1CC[C@H](NCC2(C#N)CC2)C[C@H]1C ZINC000573661724 334955610 /nfs/dbraw/zinc/95/56/10/334955610.db2.gz DFWZUBXBISCNPT-FRRDWIJNSA-N 0 3 264.369 2.248 20 30 CEEDHN C[C@H](CCn1cccn1)NCc1ccc(C#N)cc1F ZINC000158828170 344452768 /nfs/dbraw/zinc/45/27/68/344452768.db2.gz RQWMFWKGYUDRGI-GFCCVEGCSA-N 0 3 272.327 2.462 20 30 CEEDHN N#Cc1ccc(S(=O)(=O)CCNCCCC2CC2)cc1 ZINC000161556175 344464380 /nfs/dbraw/zinc/46/43/80/344464380.db2.gz FCEFWSMELIIIIW-UHFFFAOYSA-N 0 3 292.404 2.112 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)n1 ZINC000602483419 347055497 /nfs/dbraw/zinc/05/54/97/347055497.db2.gz GYYFDXCLRGIFFL-ZIAGYGMSSA-N 0 3 271.364 2.202 20 30 CEEDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(C#N)cc1 ZINC000234055329 344583515 /nfs/dbraw/zinc/58/35/15/344583515.db2.gz UMXKZXXXWSBQSZ-HNNXBMFYSA-N 0 3 271.364 2.115 20 30 CEEDHN CN(C)[C@@H](CNCc1cccc(C#N)n1)c1ccsc1 ZINC000602512698 347062574 /nfs/dbraw/zinc/06/25/74/347062574.db2.gz SCCGHQDOGQSTKL-HNNXBMFYSA-N 0 3 286.404 2.407 20 30 CEEDHN C[C@H](CNCc1cccc(C#N)n1)N1CCCC[C@H]1C ZINC000602514830 347063459 /nfs/dbraw/zinc/06/34/59/347063459.db2.gz MIAAYOAIFSKUJF-ZIAGYGMSSA-N 0 3 272.396 2.306 20 30 CEEDHN C[C@@H]1CN(C(=O)[C@@H](N)CCCCC#N)C[C@H](C)C1(F)F ZINC000602533379 347068311 /nfs/dbraw/zinc/06/83/11/347068311.db2.gz MQXZKRHRZQKKLI-TUAOUCFPSA-N 0 3 287.354 2.147 20 30 CEEDHN CC(C)c1noc(CCCNCc2cccc(C#N)n2)n1 ZINC000602535528 347069310 /nfs/dbraw/zinc/06/93/10/347069310.db2.gz OWYUVCRSEAFHPA-UHFFFAOYSA-N 0 3 285.351 2.182 20 30 CEEDHN C=CCN1CCC(NCc2cc(C(=O)OC)cs2)CC1 ZINC000602537645 347070298 /nfs/dbraw/zinc/07/02/98/347070298.db2.gz AWRYECFVNGRIFP-UHFFFAOYSA-N 0 3 294.420 2.275 20 30 CEEDHN C=C(C)CCN1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000293026273 344691123 /nfs/dbraw/zinc/69/11/23/344691123.db2.gz RCWPNXUICXFOTQ-MRXNPFEDSA-N 0 3 272.392 2.386 20 30 CEEDHN C=CCSCCNCc1cc(C)c(C(=O)OC)[nH]1 ZINC000602545290 347071752 /nfs/dbraw/zinc/07/17/52/347071752.db2.gz PHVQMOFMPJEBBG-UHFFFAOYSA-N 0 3 268.382 2.119 20 30 CEEDHN CC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C1CC1 ZINC000324134443 344754254 /nfs/dbraw/zinc/75/42/54/344754254.db2.gz JDJHANSPHVFQCU-OAHLLOKOSA-N 0 3 292.404 2.110 20 30 CEEDHN C[C@@H](CCC#N)CN[C@@H]1CCN(c2ccccc2F)C1=O ZINC000602560054 347076936 /nfs/dbraw/zinc/07/69/36/347076936.db2.gz AXGNEBQMXKDBAX-GXTWGEPZSA-N 0 3 289.354 2.460 20 30 CEEDHN CC(C)COC[C@@H](NC(=O)C(C)C#N)c1ccco1 ZINC000357824820 344807078 /nfs/dbraw/zinc/80/70/78/344807078.db2.gz KMBSIQKQHHLUAW-NWDGAFQWSA-N 0 3 264.325 2.269 20 30 CEEDHN CCc1cnccc1[C@H](C)NCCC(=O)N(C)CCC#N ZINC000361119994 344808631 /nfs/dbraw/zinc/80/86/31/344808631.db2.gz OWEAPUIVCTWCBK-ZDUSSCGKSA-N 0 3 288.395 2.057 20 30 CEEDHN CC1(C)[C@H](NCc2cccc(C#N)n2)[C@H]2CCCO[C@H]21 ZINC000602562008 347078536 /nfs/dbraw/zinc/07/85/36/347078536.db2.gz UTXITOOJYMTDNS-RBSFLKMASA-N 0 3 271.364 2.246 20 30 CEEDHN N#CC[C@H]1CCCN(C[C@H](O)COCc2ccccc2)C1 ZINC000397577776 344851632 /nfs/dbraw/zinc/85/16/32/344851632.db2.gz GOSJMFCDEAESFA-WBVHZDCISA-N 0 3 288.391 2.190 20 30 CEEDHN N#Cc1cccc(OCCN2CCC(CCO)CC2)c1 ZINC000400986195 344864982 /nfs/dbraw/zinc/86/49/82/344864982.db2.gz YYUFAUPJIPPTKX-UHFFFAOYSA-N 0 3 274.364 2.031 20 30 CEEDHN N#Cc1ccc(CNC2(CO)CCCCC2)cc1F ZINC000404155473 344878659 /nfs/dbraw/zinc/87/86/59/344878659.db2.gz VHDHZIABFNTHHL-UHFFFAOYSA-N 0 3 262.328 2.482 20 30 CEEDHN C#C[C@@H](CC)NCc1ccc(-n2cncn2)c(C)c1 ZINC000491622841 344912824 /nfs/dbraw/zinc/91/28/24/344912824.db2.gz JFVNMUIDZOPYQY-AWEZNQCLSA-N 0 3 254.337 2.077 20 30 CEEDHN CC[C@H](Cn1cncn1)N[C@@H](C)c1cccc(C#N)c1 ZINC000585725923 345012032 /nfs/dbraw/zinc/01/20/32/345012032.db2.gz FLHMNTWTMBLWMW-SWLSCSKDSA-N 0 3 269.352 2.279 20 30 CEEDHN CN(CCc1ccc(Cl)cc1)C(=O)[C@H](N)CCCC#N ZINC000584833484 344991204 /nfs/dbraw/zinc/99/12/04/344991204.db2.gz QKNHFLAWVNLGTR-CQSZACIVSA-N 0 3 293.798 2.362 20 30 CEEDHN CCN1CCN(Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000586778430 345020605 /nfs/dbraw/zinc/02/06/05/345020605.db2.gz GNFGJAVNTODHBZ-AWEZNQCLSA-N 0 3 257.381 2.393 20 30 CEEDHN C[C@@H](CO)CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000586783442 345021602 /nfs/dbraw/zinc/02/16/02/345021602.db2.gz MDUZYUHQMQKFQK-GFCCVEGCSA-N 0 3 292.354 2.169 20 30 CEEDHN C[C@H](C#N)CN[C@H]1CCCN(Cc2ccccc2)C1 ZINC000054180507 362518025 /nfs/dbraw/zinc/51/80/25/362518025.db2.gz GMJLSUSSWOBMBL-ZBFHGGJFSA-N 0 3 257.381 2.400 20 30 CEEDHN N#CCCOCCN1CC[C@H](Oc2cccc(F)c2)C1 ZINC000590173215 345119318 /nfs/dbraw/zinc/11/93/18/345119318.db2.gz QDNJDNNEKVZZBO-HNNXBMFYSA-N 0 3 278.327 2.209 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCC1=CCCOC1 ZINC000589919938 345105044 /nfs/dbraw/zinc/10/50/44/345105044.db2.gz DERZMUZADUEUGJ-INIZCTEOSA-N 0 3 284.359 2.222 20 30 CEEDHN CN1C[C@H]2[C@@H](CCN2Cc2ccc(Cl)cc2C#N)C1 ZINC000590011651 345110203 /nfs/dbraw/zinc/11/02/03/345110203.db2.gz LHMDONPVFFVIRF-WFASDCNBSA-N 0 3 275.783 2.348 20 30 CEEDHN N#C[C@@]1(F)CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000590743704 345172888 /nfs/dbraw/zinc/17/28/88/345172888.db2.gz YJSSUISJJNOUOD-HOCLYGCPSA-N 0 3 293.386 2.248 20 30 CEEDHN CN1CC[C@H](NC(=O)CC2(C#N)CC2)[C@@H]1c1ccccc1 ZINC000590318161 345127585 /nfs/dbraw/zinc/12/75/85/345127585.db2.gz VVSVQUUZUMVLRZ-HOCLYGCPSA-N 0 3 283.375 2.242 20 30 CEEDHN N#C[C@@]1(C(=O)N[C@H]2CCN(CC3CC3)C2)CC12CCCC2 ZINC000590632624 345154066 /nfs/dbraw/zinc/15/40/66/345154066.db2.gz VCHAMORQTMLCGA-WMLDXEAASA-N 0 3 287.407 2.061 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](C2CCC2)C1 ZINC000591063326 345215995 /nfs/dbraw/zinc/21/59/95/345215995.db2.gz PSPMEVKPJNGMOD-JSGCOSHPSA-N 0 3 275.396 2.059 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CC[C@H]1c1cccc(F)c1 ZINC000591623158 345269956 /nfs/dbraw/zinc/26/99/56/345269956.db2.gz YRWNCIZTNFAWSM-KBPBESRZSA-N 0 3 275.327 2.120 20 30 CEEDHN Cc1ccc(C)c(OC[C@H](O)CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000591771556 345278933 /nfs/dbraw/zinc/27/89/33/345278933.db2.gz VZGBHXJPWZILNR-ARFHVFGLSA-N 0 3 288.391 2.325 20 30 CEEDHN N#Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](N2CCCC2)C1 ZINC000591820846 345284564 /nfs/dbraw/zinc/28/45/64/345284564.db2.gz FYMJQAPDBVOIRE-CYBMUJFWSA-N 0 3 286.335 2.141 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccn(C)c(=O)c1 ZINC000591853660 345287995 /nfs/dbraw/zinc/28/79/95/345287995.db2.gz TVFLGUWJANMHJD-ZDUSSCGKSA-N 0 3 281.359 2.450 20 30 CEEDHN N#Cc1ccc([C@@H](NCC2CCC(F)CC2)C(N)=O)cc1 ZINC000592445015 345354049 /nfs/dbraw/zinc/35/40/49/345354049.db2.gz DSKJYUROKPRHCS-PESDSKBTSA-N 0 3 289.354 2.203 20 30 CEEDHN CN(C)C1(CNCc2ccc(C#N)cc2F)CCC1 ZINC000097931162 232188977 /nfs/dbraw/zinc/18/89/77/232188977.db2.gz RFXZLDMROKFJMN-UHFFFAOYSA-N 0 3 261.344 2.271 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)NCC1(C#N)CCCC1 ZINC000593304278 345464204 /nfs/dbraw/zinc/46/42/04/345464204.db2.gz ALGMJOJVAISLMR-CQSZACIVSA-N 0 3 292.427 2.244 20 30 CEEDHN CC[C@@H](C#N)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000593409659 345478712 /nfs/dbraw/zinc/47/87/12/345478712.db2.gz CRJWZPAOGUNDKJ-ZDUSSCGKSA-N 0 3 295.452 2.014 20 30 CEEDHN N#Cc1cccc(CN2CCC(NCc3cocn3)CC2)c1 ZINC000593692358 345521602 /nfs/dbraw/zinc/52/16/02/345521602.db2.gz DGDZFMRWXBBHIB-UHFFFAOYSA-N 0 3 296.374 2.300 20 30 CEEDHN CN(C)CCN(Cc1ccco1)C(=O)CCCCC#N ZINC000593987814 345560917 /nfs/dbraw/zinc/56/09/17/345560917.db2.gz DUDKHCJVLLLTMD-UHFFFAOYSA-N 0 3 277.368 2.254 20 30 CEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)CCCCC#N)C1 ZINC000593992985 345561527 /nfs/dbraw/zinc/56/15/27/345561527.db2.gz LHAZDTLRFYPYLO-KBPBESRZSA-N 0 3 263.385 2.013 20 30 CEEDHN CN1CCN(Cc2ccncc2C#N)CC12CCCCC2 ZINC000593997579 345562584 /nfs/dbraw/zinc/56/25/84/345562584.db2.gz JRPGQLDEXJTXQV-UHFFFAOYSA-N 0 3 284.407 2.404 20 30 CEEDHN CN(C)C1(CN(C)C(=O)CCCCC#N)CCC1 ZINC000594010898 345565554 /nfs/dbraw/zinc/56/55/54/345565554.db2.gz WDKHZGFYKDSKQL-UHFFFAOYSA-N 0 3 251.374 2.013 20 30 CEEDHN C[C@H](CNc1ccccc1)NC(=O)[C@@H](N)CCCCC#N ZINC000594467827 345636554 /nfs/dbraw/zinc/63/65/54/345636554.db2.gz HLNNDQYFFGLNHF-HIFRSBDPSA-N 0 3 288.395 2.014 20 30 CEEDHN N#CC1(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCCC1 ZINC000594197222 345596869 /nfs/dbraw/zinc/59/68/69/345596869.db2.gz BCNRSXACBLRWHT-UONOGXRCSA-N 0 3 275.396 2.203 20 30 CEEDHN N#Cc1cccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594201085 345597515 /nfs/dbraw/zinc/59/75/15/345597515.db2.gz NHNWBRNBXYGZOQ-HOTGVXAUSA-N 0 3 283.375 2.305 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)CCCCC#N ZINC000594281141 345607934 /nfs/dbraw/zinc/60/79/34/345607934.db2.gz BKXPOISEUHVLHQ-OKILXGFUSA-N 0 3 265.401 2.449 20 30 CEEDHN CCN1CCCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000594286121 345608891 /nfs/dbraw/zinc/60/88/91/345608891.db2.gz OPPBETFTACVMKN-HNNXBMFYSA-N 0 3 299.418 2.291 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN2CCC1CC2 ZINC000594348873 345615379 /nfs/dbraw/zinc/61/53/79/345615379.db2.gz DBRQLRJRGLXZGM-AWEZNQCLSA-N 0 3 297.402 2.043 20 30 CEEDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](N)CCCCC#N ZINC000594426095 345625487 /nfs/dbraw/zinc/62/54/87/345625487.db2.gz MXJKENVSMBPFCP-GFCCVEGCSA-N 0 3 290.323 2.253 20 30 CEEDHN CC(C)CC[C@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594424609 345625566 /nfs/dbraw/zinc/62/55/66/345625566.db2.gz HCESQWQCVDGLSG-QWHCGFSZSA-N 0 3 253.390 2.339 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H](N)CCCCC#N ZINC000594425678 345625906 /nfs/dbraw/zinc/62/59/06/345625906.db2.gz LWACDNMUVJJILV-XQQFMLRXSA-N 0 3 251.374 2.187 20 30 CEEDHN CCN(C(=O)[C@H](N)CCCCC#N)c1ccc(OC)cc1 ZINC000594426524 345626653 /nfs/dbraw/zinc/62/66/53/345626653.db2.gz DQYKHHURDMIGDN-OAHLLOKOSA-N 0 3 289.379 2.459 20 30 CEEDHN COc1cc(F)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594427954 345627396 /nfs/dbraw/zinc/62/73/96/345627396.db2.gz JZQKUQROEWIIBV-LLVKDONJSA-N 0 3 279.315 2.184 20 30 CEEDHN COc1cc(F)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594427956 345627463 /nfs/dbraw/zinc/62/74/63/345627463.db2.gz JZQKUQROEWIIBV-NSHDSACASA-N 0 3 279.315 2.184 20 30 CEEDHN CN(CC1CCCC1)C(=O)[C@@H](N)CCCCC#N ZINC000594431433 345628734 /nfs/dbraw/zinc/62/87/34/345628734.db2.gz MJWNANFXUHNDQX-ZDUSSCGKSA-N 0 3 251.374 2.046 20 30 CEEDHN C[C@@H](CNC(=O)[C@H](N)CCCCC#N)Cc1cccs1 ZINC000594433911 345629428 /nfs/dbraw/zinc/62/94/28/345629428.db2.gz URBMWAYEOGYTLR-TZMCWYRMSA-N 0 3 293.436 2.454 20 30 CEEDHN C[C@]1(c2ccccc2)C[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594433042 345629453 /nfs/dbraw/zinc/62/94/53/345629453.db2.gz JXZVWOFFEMYZFQ-BFYDXBDKSA-N 0 3 285.391 2.244 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC1(c2cccc(F)c2)CC1 ZINC000594432845 345629470 /nfs/dbraw/zinc/62/94/70/345629470.db2.gz GYURXICFELEUKV-AWEZNQCLSA-N 0 3 289.354 2.342 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CC12CCCCC2 ZINC000594435904 345630120 /nfs/dbraw/zinc/63/01/20/345630120.db2.gz GFFHBJFFCKUVSY-QWHCGFSZSA-N 0 3 263.385 2.237 20 30 CEEDHN CC(C)[C@H](C)N(C(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000594437308 345630614 /nfs/dbraw/zinc/63/06/14/345630614.db2.gz VKPMWKXAMLXFAJ-GXTWGEPZSA-N 0 3 265.401 2.433 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000594437601 345630688 /nfs/dbraw/zinc/63/06/88/345630688.db2.gz CYBNKOWVIZUKRM-LSDHHAIUSA-N 0 3 286.379 2.156 20 30 CEEDHN Cc1csc([C@H](C)CNC(=O)[C@H](N)CCCCC#N)n1 ZINC000594437567 345630756 /nfs/dbraw/zinc/63/07/56/345630756.db2.gz OOAWKQXJVQAVQY-ZYHUDNBSSA-N 0 3 294.424 2.083 20 30 CEEDHN Cc1cnc([C@H](C)NC(=O)[C@H](N)CCCCC#N)s1 ZINC000594437518 345630877 /nfs/dbraw/zinc/63/08/77/345630877.db2.gz CRAQNCYGWZGTSM-WDEREUQCSA-N 0 3 280.397 2.040 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCc2c1cccc2F ZINC000594439060 345631489 /nfs/dbraw/zinc/63/14/89/345631489.db2.gz ZWXGDHXATWMDSL-ZDUSSCGKSA-N 0 3 275.327 2.126 20 30 CEEDHN CC[C@H](C)C[C@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000594442990 345632198 /nfs/dbraw/zinc/63/21/98/345632198.db2.gz FELRNCVFHJJNAZ-AVGNSLFASA-N 0 3 253.390 2.339 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000594450363 345634096 /nfs/dbraw/zinc/63/40/96/345634096.db2.gz ZKDGSHIMBXUVFD-MJBXVCDLSA-N 0 3 263.385 2.189 20 30 CEEDHN N#Cc1ccnc(N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594604432 345658211 /nfs/dbraw/zinc/65/82/11/345658211.db2.gz ZEPHEXCFPDOJMT-KBPBESRZSA-N 0 3 256.353 2.382 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCc3ccccc3NC2=O)C1 ZINC000594507309 345640289 /nfs/dbraw/zinc/64/02/89/345640289.db2.gz CVEOZTWCWVACOX-OSAQELSMSA-N 0 3 269.348 2.222 20 30 CEEDHN CC(C)(C#N)c1ccc(CN[C@H](CO)CCF)cc1 ZINC000594514718 345641505 /nfs/dbraw/zinc/64/15/05/345641505.db2.gz ZZBVRYLHYLMZFH-AWEZNQCLSA-N 0 3 264.344 2.298 20 30 CEEDHN C[C@@H](N[C@@H]1CCc2c(nnn2C)C1)c1ccc(C#N)cc1F ZINC000594519113 345643241 /nfs/dbraw/zinc/64/32/41/345643241.db2.gz CZLUCWQVBXYDDX-ZYHUDNBSSA-N 0 3 299.353 2.034 20 30 CEEDHN N#Cc1csc(CN[C@@H]2CCCN3CCCC[C@H]23)n1 ZINC000594523301 345643739 /nfs/dbraw/zinc/64/37/39/345643739.db2.gz PLANOUNNHBGNFG-CHWSQXEVSA-N 0 3 276.409 2.121 20 30 CEEDHN N#Cc1cccc(NC(=O)CCN2CCC(C#N)CC2)c1 ZINC000057908147 362602531 /nfs/dbraw/zinc/60/25/31/362602531.db2.gz XTSUVYATXDHAGX-UHFFFAOYSA-N 0 3 282.347 2.122 20 30 CEEDHN N#CC1(CNC(=O)NCCN2CCCCC2)CCCCC1 ZINC000594687859 345672193 /nfs/dbraw/zinc/67/21/93/345672193.db2.gz UUZRQYOMQIWXKV-UHFFFAOYSA-N 0 3 292.427 2.246 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@@H](O)C13CCC3)CC2 ZINC000595093012 345741294 /nfs/dbraw/zinc/74/12/94/345741294.db2.gz XVKONWWPOCLDAV-BZUAXINKSA-N 0 3 268.360 2.439 20 30 CEEDHN C[C@]1(C#N)CCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000595237066 345746495 /nfs/dbraw/zinc/74/64/95/345746495.db2.gz VUMAKDGCJJRLSA-OAHLLOKOSA-N 0 3 270.336 2.057 20 30 CEEDHN CN(C[C@@H]1CCc2ccccc21)C(=O)[C@H](N)CCCC#N ZINC000595260069 345750886 /nfs/dbraw/zinc/75/08/86/345750886.db2.gz TWLWTXHTWQSDGH-GOEBONIOSA-N 0 3 285.391 2.196 20 30 CEEDHN N#Cc1ccnc(N2CCN(CC3CC=CC3)CC2)c1 ZINC000595289676 345755279 /nfs/dbraw/zinc/75/52/79/345755279.db2.gz GYGFVLZVXCWKSP-UHFFFAOYSA-N 0 3 268.364 2.041 20 30 CEEDHN CCCn1nccc1CNCCOc1ccc(C#N)cc1 ZINC000594930408 345706436 /nfs/dbraw/zinc/70/64/36/345706436.db2.gz WANKCUQGAOXBDT-UHFFFAOYSA-N 0 3 284.363 2.333 20 30 CEEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)C(=O)N1CCCC1 ZINC000594938498 345710081 /nfs/dbraw/zinc/71/00/81/345710081.db2.gz WSDBBKPHZOAOKF-AWEZNQCLSA-N 0 3 297.402 2.342 20 30 CEEDHN N#CCCCNCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000594941941 345711415 /nfs/dbraw/zinc/71/14/15/345711415.db2.gz CXKRNGRLYRJLMA-OAHLLOKOSA-N 0 3 260.337 2.248 20 30 CEEDHN CC1(C)[C@@H](O)C[C@@H]1NCc1ccc(C2(C#N)CC2)cc1 ZINC000594947138 345713470 /nfs/dbraw/zinc/71/34/70/345713470.db2.gz SULIGHHEADSAPI-GJZGRUSLSA-N 0 3 270.376 2.491 20 30 CEEDHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2ccccc2C#N)C1 ZINC000594966451 345719163 /nfs/dbraw/zinc/71/91/63/345719163.db2.gz RXAQHYHTFBKTFF-XYPHTWIQSA-N 0 3 288.391 2.214 20 30 CEEDHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCC1(C#N)CCCCC1 ZINC000594985512 345721992 /nfs/dbraw/zinc/72/19/92/345721992.db2.gz WPZKUEMOTLFFMP-FRRDWIJNSA-N 0 3 264.369 2.248 20 30 CEEDHN COC[C@H](CNC1(c2ccc(C#N)cc2)CCC1)OC ZINC000595562837 345814683 /nfs/dbraw/zinc/81/46/83/345814683.db2.gz RJLSEOFCVGFXEM-HNNXBMFYSA-N 0 3 274.364 2.188 20 30 CEEDHN COCCOC1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595321580 345761512 /nfs/dbraw/zinc/76/15/12/345761512.db2.gz PFVCZWNMBPMLNL-UHFFFAOYSA-N 0 3 288.391 2.228 20 30 CEEDHN N#Cc1ccc(CCN2CCN3CCCC[C@H]3C2)cc1 ZINC000595379092 345771599 /nfs/dbraw/zinc/77/15/99/345771599.db2.gz VPMPDAKFTPSSIY-KRWDZBQOSA-N 0 3 269.392 2.271 20 30 CEEDHN N#Cc1ccc(CCN2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000595496364 345795948 /nfs/dbraw/zinc/79/59/48/345795948.db2.gz ANIOCTPQDAJIRD-CQSZACIVSA-N 0 3 280.318 2.050 20 30 CEEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000595661303 345841554 /nfs/dbraw/zinc/84/15/54/345841554.db2.gz YFTZCQSZXQRGDQ-KBPBESRZSA-N 0 3 263.385 2.035 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC[C@H](CC#N)C1 ZINC000595665011 345842490 /nfs/dbraw/zinc/84/24/90/345842490.db2.gz RPELVWITJLAZPA-ZIAGYGMSSA-N 0 3 292.427 2.194 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595743498 345864179 /nfs/dbraw/zinc/86/41/79/345864179.db2.gz MZSVAHXDQSLAMV-ATCWAGBWSA-N 0 3 274.364 2.016 20 30 CEEDHN Cc1cccc(OC[C@@H](O)CN2CCC[C@@H](CC#N)C2)c1 ZINC000595609390 345826267 /nfs/dbraw/zinc/82/62/67/345826267.db2.gz JHVAEHFNNKDLOV-HOTGVXAUSA-N 0 3 288.391 2.360 20 30 CEEDHN CN(CCC1(C#N)CCCCC1)C[C@H]1COCCO1 ZINC000595738558 345863220 /nfs/dbraw/zinc/86/32/20/345863220.db2.gz WDZQZSYFRYGSBK-AWEZNQCLSA-N 0 3 266.385 2.198 20 30 CEEDHN CCCN1CC[C@H](NC(=O)NCC(C)(C)CCC#N)C1 ZINC000595628632 345832388 /nfs/dbraw/zinc/83/23/88/345832388.db2.gz PNCMWQHFNJKPNG-ZDUSSCGKSA-N 0 3 280.416 2.100 20 30 CEEDHN C=CCN(Cc1cccc(C(=O)OC)c1)[C@@H](C)COC ZINC000595638832 345834297 /nfs/dbraw/zinc/83/42/97/345834297.db2.gz MGPQZQAMVHOFRQ-ZDUSSCGKSA-N 0 3 277.364 2.496 20 30 CEEDHN C[C@@]1(C#N)CCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000595844501 345897211 /nfs/dbraw/zinc/89/72/11/345897211.db2.gz UEUAGBKJTBAWQM-IRXDYDNUSA-N 0 3 269.392 2.496 20 30 CEEDHN CN(CCC(=O)Nc1ccccc1C#N)CC1=CCCOC1 ZINC000595751011 345866353 /nfs/dbraw/zinc/86/63/53/345866353.db2.gz FIHSMBCYKSYCTO-UHFFFAOYSA-N 0 3 299.374 2.165 20 30 CEEDHN N#Cc1cc(CN[C@@H]2C[C@H](O)C23CCC3)ccc1F ZINC000595781567 345875191 /nfs/dbraw/zinc/87/51/91/345875191.db2.gz MMAGSBSXFRRLAD-KGLIPLIRSA-N 0 3 260.312 2.090 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)N1CC[C@](C)(C#N)C1 ZINC000595785970 345876034 /nfs/dbraw/zinc/87/60/34/345876034.db2.gz ONHIEXWVDXGGMM-GDBMZVCRSA-N 0 3 292.427 2.052 20 30 CEEDHN CN(c1ccccc1)[C@@H]1CCN(CCOCCC#N)C1 ZINC000595826377 345886757 /nfs/dbraw/zinc/88/67/57/345886757.db2.gz ODCCSSWPVWJORO-MRXNPFEDSA-N 0 3 273.380 2.127 20 30 CEEDHN C[C@H]1CN(Cc2ccc(C#N)s2)C[C@@]1(C)CO ZINC000595861593 345900208 /nfs/dbraw/zinc/90/02/08/345900208.db2.gz WLPODGHQPQAKCN-GWCFXTLKSA-N 0 3 250.367 2.070 20 30 CEEDHN Cc1cc(CN)cc(NC(=O)CC2(C#N)CCOCC2)c1 ZINC000595937717 345915455 /nfs/dbraw/zinc/91/54/55/345915455.db2.gz TZZLERGMVWAQDN-UHFFFAOYSA-N 0 3 287.363 2.103 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000595943426 345916787 /nfs/dbraw/zinc/91/67/87/345916787.db2.gz MGGISWRRDFBWAH-OWCLPIDISA-N 0 3 285.391 2.460 20 30 CEEDHN CC1(C)CN(C(=O)[C@@H](N)CCCC#N)[C@@H]1c1ccncc1 ZINC000595948966 345917280 /nfs/dbraw/zinc/91/72/80/345917280.db2.gz UKQKMAQQSHNDDT-UONOGXRCSA-N 0 3 286.379 2.012 20 30 CEEDHN CC(C)N1CC[C@@H](Nc2nc3ncccc3cc2C#N)C1 ZINC000596094695 345938693 /nfs/dbraw/zinc/93/86/93/345938693.db2.gz XBQAMTYBDOWXCA-CQSZACIVSA-N 0 3 281.363 2.396 20 30 CEEDHN Cc1ccc(C#N)nc1N1CCN(C)[C@H](C(C)C)C1 ZINC000596204285 345968594 /nfs/dbraw/zinc/96/85/94/345968594.db2.gz BVLSGBRZIXANPL-AWEZNQCLSA-N 0 3 258.369 2.038 20 30 CEEDHN Cc1nc(NC[C@@H]2CCN2Cc2ccccc2)ccc1C#N ZINC000596558135 346054776 /nfs/dbraw/zinc/05/47/76/346054776.db2.gz OERMKQJDMRJNPW-KRWDZBQOSA-N 0 3 292.386 2.370 20 30 CEEDHN CCCN1CC[C@@H](Nc2ncc3c(c2C#N)CCC3)C1 ZINC000596518533 346044465 /nfs/dbraw/zinc/04/44/65/346044465.db2.gz WADQOFCGBCJDFF-CYBMUJFWSA-N 0 3 270.380 2.338 20 30 CEEDHN CNC(=O)C1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596982450 346111909 /nfs/dbraw/zinc/11/19/09/346111909.db2.gz BKHPNKNRVZBHLN-UHFFFAOYSA-N 0 3 297.402 2.200 20 30 CEEDHN CN(C)C[C@H]1CCCN1C(=O)CC1(C#N)CCCCC1 ZINC000597092823 346128184 /nfs/dbraw/zinc/12/81/84/346128184.db2.gz SMSAZPJYINYBSX-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN Cc1cccc(CN(CCN(C)C)C(=O)[C@H](C)CC#N)c1 ZINC000597134336 346133170 /nfs/dbraw/zinc/13/31/70/346133170.db2.gz DQZHQWUYWUAXMC-OAHLLOKOSA-N 0 3 287.407 2.435 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)CCN1C ZINC000597294139 346168537 /nfs/dbraw/zinc/16/85/37/346168537.db2.gz LEKYTXMAQYRZKD-MWLCHTKSSA-N 0 3 293.317 2.049 20 30 CEEDHN COc1cc(CN2C[C@]3(C)COC[C@]3(C)C2)ccc1C#N ZINC000597196933 346147120 /nfs/dbraw/zinc/14/71/20/346147120.db2.gz VFPSOZVANWBZJX-CALCHBBNSA-N 0 3 286.375 2.425 20 30 CEEDHN CN(C)CCOc1ccc(CN2CC[C@@](C)(C#N)C2)cc1 ZINC000597230206 346156063 /nfs/dbraw/zinc/15/60/63/346156063.db2.gz QUUMKDLLNAVOMJ-KRWDZBQOSA-N 0 3 287.407 2.363 20 30 CEEDHN CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1ccc(C#N)o1 ZINC000597238185 346158108 /nfs/dbraw/zinc/15/81/08/346158108.db2.gz GVVTWHLGNXLPLZ-DZGCQCFKSA-N 0 3 276.336 2.363 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)c1ncc[nH]1 ZINC000597685098 346215042 /nfs/dbraw/zinc/21/50/42/346215042.db2.gz QQPVHNAYMWRKLD-TZMCWYRMSA-N 0 3 282.347 2.359 20 30 CEEDHN CC[C@H](NCc1ccc(OC)c(C#N)c1)[C@@H](O)C(F)F ZINC000295130616 199362354 /nfs/dbraw/zinc/36/23/54/199362354.db2.gz XXNPYIRCBMSBNI-WCQYABFASA-N 0 3 284.306 2.061 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCC1CSC1 ZINC000597747115 346225523 /nfs/dbraw/zinc/22/55/23/346225523.db2.gz SFMSLEFEXNHOJR-CQSZACIVSA-N 0 3 274.389 2.238 20 30 CEEDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cccc(CC#N)c1 ZINC000874842546 649849212 /nfs/dbraw/zinc/84/92/12/649849212.db2.gz IREIQPKNWHOVEH-HOTGVXAUSA-N 0 3 283.375 2.061 20 30 CEEDHN CCN(C(=O)c1ccc(CC#N)cc1)[C@@H]1CCN(CC)C1 ZINC000598039650 346273484 /nfs/dbraw/zinc/27/34/84/346273484.db2.gz LOXZNOUUEZGZTL-MRXNPFEDSA-N 0 3 285.391 2.309 20 30 CEEDHN CC[C@H](C#N)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000598194312 346302415 /nfs/dbraw/zinc/30/24/15/346302415.db2.gz FHVVDFBOSONOQS-IAGOWNOFSA-N 0 3 299.418 2.312 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)C1(C#N)CCCC1 ZINC000598263147 346316054 /nfs/dbraw/zinc/31/60/54/346316054.db2.gz PTTQTHWAMYMUFT-CQSZACIVSA-N 0 3 277.412 2.307 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000598304855 346322454 /nfs/dbraw/zinc/32/24/54/346322454.db2.gz JLHAPTXKIUNWNI-ARFHVFGLSA-N 0 3 298.386 2.179 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000598393471 346345001 /nfs/dbraw/zinc/34/50/01/346345001.db2.gz JVWSBOQGDMXRNJ-GVDBMIGSSA-N 0 3 298.386 2.254 20 30 CEEDHN CN(Cc1cccs1)C[C@@H](O)CC(C)(C)C#N ZINC000598587747 346378441 /nfs/dbraw/zinc/37/84/41/346378441.db2.gz VCLHNWPHHIUGFR-NSHDSACASA-N 0 3 252.383 2.481 20 30 CEEDHN Cc1cnn([C@@H]2CCCN(C[C@@H](O)CC(C)(C)C#N)C2)c1 ZINC000598590028 346378831 /nfs/dbraw/zinc/37/88/31/346378831.db2.gz WQXDFBYSQUDDAM-CABCVRRESA-N 0 3 290.411 2.129 20 30 CEEDHN Cc1ccncc1CN(C)C[C@@H](O)CC(C)(C)C#N ZINC000598610194 346383361 /nfs/dbraw/zinc/38/33/61/346383361.db2.gz FYQPTPPMXRPMCG-AWEZNQCLSA-N 0 3 261.369 2.123 20 30 CEEDHN C[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)CCC1(F)F ZINC000598615496 346384101 /nfs/dbraw/zinc/38/41/01/346384101.db2.gz BVSHFMHDAILCER-GHMZBOCLSA-N 0 3 260.328 2.264 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000598618564 346385416 /nfs/dbraw/zinc/38/54/16/346385416.db2.gz YNJAJVVMFXAKAF-OLZOCXBDSA-N 0 3 296.802 2.084 20 30 CEEDHN COc1ccc(C)cc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598699958 346403066 /nfs/dbraw/zinc/40/30/66/346403066.db2.gz JXBZAMVGCYETKA-AWEZNQCLSA-N 0 3 276.380 2.394 20 30 CEEDHN COCc1cc(CNC[C@H](O)CC(C)(C)C#N)ccc1F ZINC000598718082 346407133 /nfs/dbraw/zinc/40/71/33/346407133.db2.gz CEFVRZHKLLEVDY-CQSZACIVSA-N 0 3 294.370 2.362 20 30 CEEDHN Cc1ccc2c(c1)[C@@H](NC[C@@H](O)CC(C)(C)C#N)CO2 ZINC000598727411 346410393 /nfs/dbraw/zinc/41/03/93/346410393.db2.gz XBJMMDMORMSVHR-JSGCOSHPSA-N 0 3 274.364 2.319 20 30 CEEDHN Cc1csc([C@H](C)NC2CCN(CC#N)CC2)n1 ZINC000599027262 346448903 /nfs/dbraw/zinc/44/89/03/346448903.db2.gz KXJMIFRVHLBERH-NSHDSACASA-N 0 3 264.398 2.090 20 30 CEEDHN N#Cc1ccc(CNC[C@@H]2CCCN2CC(F)F)s1 ZINC000598987822 346442495 /nfs/dbraw/zinc/44/24/95/346442495.db2.gz MAPPOWGVPYSBKS-JTQLQIEISA-N 0 3 285.363 2.439 20 30 CEEDHN N#Cc1ccc(CNC[C@H]2CCCN2CC(F)F)s1 ZINC000598987824 346442661 /nfs/dbraw/zinc/44/26/61/346442661.db2.gz MAPPOWGVPYSBKS-SNVBAGLBSA-N 0 3 285.363 2.439 20 30 CEEDHN Cc1ccc(CN2CCN(C)CC2(C)C)cc1C#N ZINC000599354900 346504974 /nfs/dbraw/zinc/50/49/74/346504974.db2.gz YDFXHYIRQWBDOZ-UHFFFAOYSA-N 0 3 257.381 2.393 20 30 CEEDHN CC[C@H](NC[C@@H](O)CC1(C#N)CC1)c1c(C)noc1C ZINC000599359753 346506333 /nfs/dbraw/zinc/50/63/33/346506333.db2.gz UCEGCMHCCQTOCV-STQMWFEESA-N 0 3 277.368 2.387 20 30 CEEDHN Cc1ccc(CN2C[C@H](N3CCOCC3)C[C@@H]2C)cc1C#N ZINC000599415430 346515252 /nfs/dbraw/zinc/51/52/52/346515252.db2.gz OQUKNOSQLATADZ-MAUKXSAKSA-N 0 3 299.418 2.162 20 30 CEEDHN Cc1ccc(CN2CC[C@H](C(=O)N3CCCC3)C2)cc1C#N ZINC000599418684 346515677 /nfs/dbraw/zinc/51/56/77/346515677.db2.gz LCPVBNICGWELOA-INIZCTEOSA-N 0 3 297.402 2.311 20 30 CEEDHN Cn1ccc(CN2CCc3c(CC#N)cccc3C2)cc1=O ZINC000599679428 346563102 /nfs/dbraw/zinc/56/31/02/346563102.db2.gz RVKNSQRXESKOAM-UHFFFAOYSA-N 0 3 293.370 2.010 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(N2CCOCC2)CC1 ZINC000599472374 346525849 /nfs/dbraw/zinc/52/58/49/346525849.db2.gz UELIITIDNZTIIP-HNNXBMFYSA-N 0 3 299.418 2.416 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000599526801 346532392 /nfs/dbraw/zinc/53/23/92/346532392.db2.gz SVUISERXFNDCCU-INIZCTEOSA-N 0 3 283.375 2.072 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)S3)nc1 ZINC000599553468 346536629 /nfs/dbraw/zinc/53/66/29/346536629.db2.gz VYGYQBQRPJXVHD-KGLIPLIRSA-N 0 3 259.378 2.423 20 30 CEEDHN N#CCSCCCN1CCc2c(O)cccc2C1 ZINC000599645817 346553331 /nfs/dbraw/zinc/55/33/31/346553331.db2.gz FUHYYKSEQAGFCQ-UHFFFAOYSA-N 0 3 262.378 2.397 20 30 CEEDHN CCN(C(=O)c1cccc(CC#N)c1)C1CCN(C)CC1 ZINC000599986676 346589687 /nfs/dbraw/zinc/58/96/87/346589687.db2.gz XJDDGIWNUQUAIL-UHFFFAOYSA-N 0 3 285.391 2.309 20 30 CEEDHN CN(C)[C@@H](CNC(=O)C1(C#N)CC2(CC2)C1)c1ccccc1 ZINC000600921510 346710390 /nfs/dbraw/zinc/71/03/90/346710390.db2.gz JTWMGRGBWWVZSN-HNNXBMFYSA-N 0 3 297.402 2.489 20 30 CEEDHN N#CC1(C[C@@H](O)CNCc2ccccc2OC(F)F)CC1 ZINC000600717604 346676972 /nfs/dbraw/zinc/67/69/72/346676972.db2.gz NCRDQQGHKWKAQE-GFCCVEGCSA-N 0 3 296.317 2.432 20 30 CEEDHN CCCOc1ncccc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600721079 346678243 /nfs/dbraw/zinc/67/82/43/346678243.db2.gz KWWQSIHVHKUBKK-AWEZNQCLSA-N 0 3 289.379 2.015 20 30 CEEDHN N#CC1(C[C@H](O)CNCc2ccc3c(n2)CCCC3)CC1 ZINC000600734433 346680951 /nfs/dbraw/zinc/68/09/51/346680951.db2.gz PJKSWWWECXYMCM-HNNXBMFYSA-N 0 3 285.391 2.105 20 30 CEEDHN CN(C)CCNc1ccc(-c2ccc(F)c(C#N)c2)cn1 ZINC000600783016 346689269 /nfs/dbraw/zinc/68/92/69/346689269.db2.gz VPMKIPNKZVLGHX-UHFFFAOYSA-N 0 3 284.338 2.155 20 30 CEEDHN CCC[C@@H](CCO)NCc1ccc(C#N)c(F)c1 ZINC000601140273 346767032 /nfs/dbraw/zinc/76/70/32/346767032.db2.gz STZPASGGSZESGE-ZDUSSCGKSA-N 0 3 250.317 2.338 20 30 CEEDHN N#Cc1cccc(CNCCC[C@@H]2CCCCO2)n1 ZINC000602618935 347106814 /nfs/dbraw/zinc/10/68/14/347106814.db2.gz UBIPMPZRUORSIS-HNNXBMFYSA-N 0 3 259.353 2.392 20 30 CEEDHN CC(C)CN1C[C@@H]2CN(C[C@H](C)CCC#N)CCN2C1=O ZINC000602639577 347118204 /nfs/dbraw/zinc/11/82/04/347118204.db2.gz KRCCQRVLCRHVIG-CABCVRRESA-N 0 3 292.427 2.004 20 30 CEEDHN CO[C@H](CN[C@@H]1CCc2cc(C#N)ccc21)[C@@H]1CCOC1 ZINC000602640227 347118922 /nfs/dbraw/zinc/11/89/22/347118922.db2.gz KYGFAOPXADETDZ-DJIMGWMZSA-N 0 3 286.375 2.187 20 30 CEEDHN C[C@@H](CCC#N)CN1CCCC[C@H]1CCS(C)(=O)=O ZINC000602674755 347137332 /nfs/dbraw/zinc/13/73/32/347137332.db2.gz YTLJMBFIDYIDDZ-KBPBESRZSA-N 0 3 286.441 2.215 20 30 CEEDHN N#Cc1cccc(CNC[C@H]2CCCC2(F)F)n1 ZINC000602683503 347143692 /nfs/dbraw/zinc/14/36/92/347143692.db2.gz CEDCEFSSPRNOHX-SNVBAGLBSA-N 0 3 251.280 2.478 20 30 CEEDHN COC(=O)c1[nH]c(CNCc2ccc(CC#N)cc2)cc1C ZINC000602701703 347157544 /nfs/dbraw/zinc/15/75/44/347157544.db2.gz XEHJTOFNJDERDR-UHFFFAOYSA-N 0 3 297.358 2.466 20 30 CEEDHN CO[C@@H](CNCc1ccc(C#N)c(Cl)c1)[C@@H]1CCOC1 ZINC000602659091 347127679 /nfs/dbraw/zinc/12/76/79/347127679.db2.gz NAPWJBHBTPBALD-HIFRSBDPSA-N 0 3 294.782 2.353 20 30 CEEDHN CN(C)C1(CNC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000602766937 347189625 /nfs/dbraw/zinc/18/96/25/347189625.db2.gz HAHLYNMDAPUJFP-UHFFFAOYSA-N 0 3 292.770 2.427 20 30 CEEDHN CCCNC(=O)C1(NCC2(CC#N)CC2)CCCCC1 ZINC000602791414 347200010 /nfs/dbraw/zinc/20/00/10/347200010.db2.gz BPKTZSADIYOXOK-UHFFFAOYSA-N 0 3 277.412 2.499 20 30 CEEDHN C[C@@H]1CN(C[C@H]2CCCN2CC2(CC#N)CC2)C[C@H](C)O1 ZINC000602767824 347189531 /nfs/dbraw/zinc/18/95/31/347189531.db2.gz GQHFAOGLNBLQFO-OWCLPIDISA-N 0 3 291.439 2.254 20 30 CEEDHN COCc1ncc2c(n1)CCN(CCCC(C)(C)C#N)C2 ZINC000602929396 347249769 /nfs/dbraw/zinc/24/97/69/347249769.db2.gz ZLMOGDOAIFJQFP-UHFFFAOYSA-N 0 3 288.395 2.311 20 30 CEEDHN CCN(CCCC#N)[C@H]1CCN(CC(F)(F)F)C1 ZINC000602893055 347239788 /nfs/dbraw/zinc/23/97/88/347239788.db2.gz SINQMONQPZCNNH-NSHDSACASA-N 0 3 263.307 2.249 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602896521 347240535 /nfs/dbraw/zinc/24/05/35/347240535.db2.gz SPJMQFOHASLYHC-QGZVFWFLSA-N 0 3 285.391 2.372 20 30 CEEDHN N#Cc1ccc(C2CCN(C[C@@H]3CCCO3)CC2)nc1 ZINC000602909998 347244368 /nfs/dbraw/zinc/24/43/68/347244368.db2.gz BSNMPRLVDPPZJO-HNNXBMFYSA-N 0 3 271.364 2.312 20 30 CEEDHN CC(C)(C)[C@H](N)c1cn(Cc2ccccc2C#N)nn1 ZINC000603173036 347301334 /nfs/dbraw/zinc/30/13/34/347301334.db2.gz LXKWHIDOWAIDRK-CQSZACIVSA-N 0 3 269.352 2.244 20 30 CEEDHN CC(C)(C)[C@@H](N)c1cn(Cc2ccccc2C#N)nn1 ZINC000603173035 347301354 /nfs/dbraw/zinc/30/13/54/347301354.db2.gz LXKWHIDOWAIDRK-AWEZNQCLSA-N 0 3 269.352 2.244 20 30 CEEDHN CC(C)(C)[C@@H](N)c1cn(CCOc2ccc(C#N)cc2)nn1 ZINC000603176399 347302302 /nfs/dbraw/zinc/30/23/02/347302302.db2.gz MJBGIMONDKNMFZ-HNNXBMFYSA-N 0 3 299.378 2.275 20 30 CEEDHN CC(C)(C)[C@H](N)c1cn([C@H](C#N)c2ccccc2)nn1 ZINC000603219925 347312528 /nfs/dbraw/zinc/31/25/28/347312528.db2.gz CPTGRERHCZZAQG-ZIAGYGMSSA-N 0 3 269.352 2.437 20 30 CEEDHN CC[C@@H](N)c1cn(Cc2ccc(C#N)cc2Cl)nn1 ZINC000603227701 347315675 /nfs/dbraw/zinc/31/56/75/347315675.db2.gz WGUGAANDNKDNFR-GFCCVEGCSA-N 0 3 275.743 2.261 20 30 CEEDHN COc1ccc(Cn2cc([C@@H](N)C(C)(C)C)nn2)cc1C#N ZINC000603230345 347316791 /nfs/dbraw/zinc/31/67/91/347316791.db2.gz XYZCBYPEZCKUOM-OAHLLOKOSA-N 0 3 299.378 2.253 20 30 CEEDHN CC(C)[C@@H](N)c1cn(CCCC2(C#N)CCOCC2)nn1 ZINC000603234796 347317921 /nfs/dbraw/zinc/31/79/21/347317921.db2.gz QVCGYENNOADFDP-CQSZACIVSA-N 0 3 291.399 2.034 20 30 CEEDHN N#CC1(Cn2cc(COc3ccccc3CN)nn2)CCC1 ZINC000603255642 347322677 /nfs/dbraw/zinc/32/26/77/347322677.db2.gz HJHBRMUOKQQCIH-UHFFFAOYSA-N 0 3 297.362 2.010 20 30 CEEDHN N#CCN1CCC(NCc2ccc(F)c(F)c2)CC1 ZINC000609334738 347634997 /nfs/dbraw/zinc/63/49/97/347634997.db2.gz DUVXGNJMNMNRAD-UHFFFAOYSA-N 0 3 265.307 2.042 20 30 CEEDHN COCCN(Cc1ccc(C)cc1C)C(=O)C(C)C#N ZINC000609919704 347655752 /nfs/dbraw/zinc/65/57/52/347655752.db2.gz DWGVRRZXALKYSP-CQSZACIVSA-N 0 3 274.364 2.438 20 30 CEEDHN C[C@H](NC1CCN(CC#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610420523 347680091 /nfs/dbraw/zinc/68/00/91/347680091.db2.gz GNCIDNRUPKSAFG-LBPRGKRZSA-N 0 3 288.351 2.233 20 30 CEEDHN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)C(C)C#N ZINC000610672776 347699994 /nfs/dbraw/zinc/69/99/94/347699994.db2.gz FEJRJCBANVBTQZ-GXTWGEPZSA-N 0 3 271.364 2.403 20 30 CEEDHN C[C@H](NCc1ccc(CC(N)=O)cc1)c1cccc(C#N)c1 ZINC000610344916 347674191 /nfs/dbraw/zinc/67/41/91/347674191.db2.gz MJFPONKPKXYKBY-ZDUSSCGKSA-N 0 3 293.370 2.437 20 30 CEEDHN CCn1cnnc1CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000611466000 347781847 /nfs/dbraw/zinc/78/18/47/347781847.db2.gz HTKGFIHMKCBXOJ-NSHDSACASA-N 0 3 287.342 2.202 20 30 CEEDHN CCc1nncn1CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611393181 347772658 /nfs/dbraw/zinc/77/26/58/347772658.db2.gz MXEXNWMWLODNFY-INIZCTEOSA-N 0 3 295.390 2.379 20 30 CEEDHN CCNC(=O)[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390360 347772672 /nfs/dbraw/zinc/77/26/72/347772672.db2.gz VWQLQJIXCGDZHO-IAQYHMDHSA-N 0 3 271.364 2.050 20 30 CEEDHN CC[C@H](O)[C@@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000610993154 347728802 /nfs/dbraw/zinc/72/88/02/347728802.db2.gz FTQIYQSYRFBPGD-GJZGRUSLSA-N 0 3 259.353 2.079 20 30 CEEDHN N#Cc1ccc(OCCN2CCC3(CCOC3)CC2)cc1 ZINC000611177956 347747654 /nfs/dbraw/zinc/74/76/54/347747654.db2.gz OHPFGLBBZIKUNB-UHFFFAOYSA-N 0 3 286.375 2.440 20 30 CEEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ccc(C#N)nn2)C1 ZINC000611239951 347756708 /nfs/dbraw/zinc/75/67/08/347756708.db2.gz NUKAVPQSCVEFBV-BBRMVZONSA-N 0 3 293.374 2.018 20 30 CEEDHN CN(C)[C@H](CNC(=O)NCC(C)(C)C#N)c1ccccc1 ZINC000611622968 347800279 /nfs/dbraw/zinc/80/02/79/347800279.db2.gz OWOWXWGKWWOLFD-CQSZACIVSA-N 0 3 288.395 2.138 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccon1)C(C)C ZINC000130307573 365943261 /nfs/dbraw/zinc/94/32/61/365943261.db2.gz QSESCSJQSWBJGB-CQSZACIVSA-N 0 3 277.368 2.103 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1[C@H](C)CCC[C@@H]1C ZINC000066531936 362872102 /nfs/dbraw/zinc/87/21/02/362872102.db2.gz GGLXQIWBTZDXJM-MCIONIFRSA-N 0 3 265.401 2.257 20 30 CEEDHN CN(C)CCOc1ccc(CN2CC[C@](F)(C#N)C2)cc1 ZINC000615651253 348367395 /nfs/dbraw/zinc/36/73/95/348367395.db2.gz RFUKHSZSOIXRRH-INIZCTEOSA-N 0 3 291.370 2.065 20 30 CEEDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccc(C#N)o1 ZINC000273398039 192138414 /nfs/dbraw/zinc/13/84/14/192138414.db2.gz FWYDGYHBPXJGLY-UKRRQHHQSA-N 0 3 276.336 2.363 20 30 CEEDHN C=CCC[C@@H](C)[NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F ZINC000273442484 192151569 /nfs/dbraw/zinc/15/15/69/192151569.db2.gz NAMHKXCYXRHLQW-ZYHUDNBSSA-N 0 3 291.317 2.114 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000617344498 348682849 /nfs/dbraw/zinc/68/28/49/348682849.db2.gz KCEYSRMRRKWXLQ-CJNGLKHVSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCN(C(=O)[C@H](C)N1CCCCCC1)[C@@H](C)COC ZINC000617578892 348742001 /nfs/dbraw/zinc/74/20/01/348742001.db2.gz SPJXHPCAFLERNB-GJZGRUSLSA-N 0 3 282.428 2.300 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000617919657 348822306 /nfs/dbraw/zinc/82/23/06/348822306.db2.gz AVEUSDBOQISXMA-AEFFLSMTSA-N 0 3 298.386 2.398 20 30 CEEDHN CCN(CC)CC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618893013 349061329 /nfs/dbraw/zinc/06/13/29/349061329.db2.gz USDRCPWFXOJCCJ-OAHLLOKOSA-N 0 3 271.364 2.004 20 30 CEEDHN CC(C)(C#N)c1ccc(CN2CC[C@]3(CNC(=O)C3)C2)cc1 ZINC000619057067 349106416 /nfs/dbraw/zinc/10/64/16/349106416.db2.gz QAZSQPURFHPFRJ-SFHVURJKSA-N 0 3 297.402 2.200 20 30 CEEDHN C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000619281254 349150527 /nfs/dbraw/zinc/15/05/27/349150527.db2.gz MDXCZQMHSNLKGC-MLGOLLRUSA-N 0 3 281.359 2.403 20 30 CEEDHN C[C@H]1CCNC(=O)[C@H]1NCc1ccc(C(C)(C)C#N)cc1 ZINC000619655480 349211500 /nfs/dbraw/zinc/21/15/00/349211500.db2.gz GXJPOYPHDYKECP-WFASDCNBSA-N 0 3 285.391 2.102 20 30 CEEDHN CCN(CCOCCO)Cc1ccc(C(C)(C)C#N)cc1 ZINC000619723237 349230089 /nfs/dbraw/zinc/23/00/89/349230089.db2.gz VKDAPSVXUYOIKW-UHFFFAOYSA-N 0 3 290.407 2.319 20 30 CEEDHN C=CCOc1ccc(C(=O)N[C@H]2CCN(CCC)C2)cc1 ZINC000619894458 349245334 /nfs/dbraw/zinc/24/53/34/349245334.db2.gz DHUJKQHIQXQRFU-HNNXBMFYSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CC[C@H](CO)CN[C@H]1CCCc2scnc21 ZINC000623928715 350146035 /nfs/dbraw/zinc/14/60/35/350146035.db2.gz ZUTOXQGHLYPWQI-QWRGUYRKSA-N 0 3 252.383 2.295 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@@H](c1ccccc1)C1CCC1 ZINC000104697574 186016524 /nfs/dbraw/zinc/01/65/24/186016524.db2.gz VOJSYMBHXGVWKZ-BBRMVZONSA-N 0 3 270.376 2.255 20 30 CEEDHN C[C@H](CNc1cnccc1C#N)N1CCC[C@@H](C)C1 ZINC000271266452 191038444 /nfs/dbraw/zinc/03/84/44/191038444.db2.gz LNLNWRHQRRXXNA-CHWSQXEVSA-N 0 3 258.369 2.486 20 30 CEEDHN CCN(CC#CCN1C(=O)c2ccccc2C1=O)CC(C)C ZINC000625080667 350402374 /nfs/dbraw/zinc/40/23/74/350402374.db2.gz HDPZFVMZCUSTMB-UHFFFAOYSA-N 0 3 298.386 2.264 20 30 CEEDHN CC(C)N(CC#CCN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000625086482 350403935 /nfs/dbraw/zinc/40/39/35/350403935.db2.gz ZZCOVRRBCDIXDW-UHFFFAOYSA-N 0 3 296.370 2.159 20 30 CEEDHN CN(CCOc1ccc(C#N)cc1)[C@@H]1CCCOC1 ZINC000352194150 219354629 /nfs/dbraw/zinc/35/46/29/219354629.db2.gz IEUWWIVKTNUHSG-CQSZACIVSA-N 0 3 260.337 2.048 20 30 CEEDHN COc1cc(C#N)ccc1OCCN(C)[C@H]1CCCOC1 ZINC000352195081 219354894 /nfs/dbraw/zinc/35/48/94/219354894.db2.gz NXAXCRDJYJTTDD-AWEZNQCLSA-N 0 3 290.363 2.056 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000625703105 350550849 /nfs/dbraw/zinc/55/08/49/350550849.db2.gz YJYCAQWCLDIVGU-KGLIPLIRSA-N 0 3 250.386 2.143 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)N2CCC(C)CC2)C1 ZINC000625703196 350551963 /nfs/dbraw/zinc/55/19/63/350551963.db2.gz MFHSLQAWXZNVBX-AWEZNQCLSA-N 0 3 250.386 2.143 20 30 CEEDHN CN(CCCCC#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109815556 186274787 /nfs/dbraw/zinc/27/47/87/186274787.db2.gz QWEOZRQSKVILGU-OAHLLOKOSA-N 0 3 271.364 2.418 20 30 CEEDHN C=CCOc1cccc(CN(C)[C@@H]2CCC(=O)N(C)C2)c1 ZINC000628368178 351082079 /nfs/dbraw/zinc/08/20/79/351082079.db2.gz QSOPJCQFJDAONH-OAHLLOKOSA-N 0 3 288.391 2.304 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000628546073 351136036 /nfs/dbraw/zinc/13/60/36/351136036.db2.gz NFKGOMXEEPNEIU-GDBMZVCRSA-N 0 3 294.439 2.491 20 30 CEEDHN Cc1nsc(NC(=O)C2CCN(C3CC3)CC2)c1C#N ZINC000291389844 198008174 /nfs/dbraw/zinc/00/81/74/198008174.db2.gz CKRYFXCNEUVYOB-UHFFFAOYSA-N 0 3 290.392 2.136 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H]1CCOC1(C)C ZINC000295157273 199378317 /nfs/dbraw/zinc/37/83/17/199378317.db2.gz DXLKSIHFXLYLLI-CQSZACIVSA-N 0 3 260.337 2.224 20 30 CEEDHN CC[C@H](N[C@@H]1COC[C@H]1OC)c1ccc(C#N)cc1 ZINC000569102727 299179370 /nfs/dbraw/zinc/17/93/70/299179370.db2.gz VGMLINIDJRLRBR-RRFJBIMHSA-N 0 3 260.337 2.013 20 30 CEEDHN N#CC1(CCCN2CCN(CC3CC3)CC2)CCOCC1 ZINC000337129318 366031229 /nfs/dbraw/zinc/03/12/29/366031229.db2.gz IJOLNPPUQKXXCO-UHFFFAOYSA-N 0 3 291.439 2.115 20 30 CEEDHN C=CCN1CC[C@@H](N2CC[C@H](CC(C)C)C2)C1=O ZINC000337169267 366049366 /nfs/dbraw/zinc/04/93/66/366049366.db2.gz DODQBWWBBBCKHE-ZIAGYGMSSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCN1CC[C@H](N[C@H]2CCCC[C@@H]2SCC)C1=O ZINC000337209672 366077277 /nfs/dbraw/zinc/07/72/77/366077277.db2.gz SKVORVQYJQFSMS-IHRRRGAJSA-N 0 3 282.453 2.427 20 30 CEEDHN C#CCCCCN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000123046904 187068017 /nfs/dbraw/zinc/06/80/17/187068017.db2.gz XLMUGPRPTCPVNY-CQSZACIVSA-N 0 3 279.405 2.242 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ncc3ccccn32)CC1 ZINC000630942621 351896130 /nfs/dbraw/zinc/89/61/30/351896130.db2.gz KBJIVNOWRRLPOE-UHFFFAOYSA-N 0 3 298.390 2.105 20 30 CEEDHN N#Cc1ccc(CN[C@H](CO)Cc2ccccc2)s1 ZINC000131471907 187568059 /nfs/dbraw/zinc/56/80/59/187568059.db2.gz KLTWAPBILUZEEK-ZDUSSCGKSA-N 0 3 272.373 2.313 20 30 CEEDHN C=CCN(CCCN1CCOCC1)Cc1cccs1 ZINC000072970234 363186960 /nfs/dbraw/zinc/18/69/60/363186960.db2.gz XWRBZDHSLAIQJI-UHFFFAOYSA-N 0 3 280.437 2.458 20 30 CEEDHN COC(=O)CCCNC1(c2cccc(C#N)c2)CC1 ZINC000271646789 191257786 /nfs/dbraw/zinc/25/77/86/191257786.db2.gz ACGKBHNETWRSGK-UHFFFAOYSA-N 0 3 258.321 2.090 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccncc2Cl)CC1 ZINC000073080339 363197134 /nfs/dbraw/zinc/19/71/34/363197134.db2.gz ZTFKRNZSYGUSTB-UHFFFAOYSA-N 0 3 279.771 2.115 20 30 CEEDHN N#Cc1ccc(O[C@H]2CCN(CCc3ccccn3)C2)nc1 ZINC000292215852 198205442 /nfs/dbraw/zinc/20/54/42/198205442.db2.gz OSPLVCNIWCTJPD-INIZCTEOSA-N 0 3 294.358 2.044 20 30 CEEDHN C#CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000154860656 188166089 /nfs/dbraw/zinc/16/60/89/188166089.db2.gz BTNCMZAHRYYTPC-NVXWUHKLSA-N 0 3 299.418 2.314 20 30 CEEDHN C=CCN(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000155934395 188236633 /nfs/dbraw/zinc/23/66/33/188236633.db2.gz NELKFQSJXSNQMS-HOCLYGCPSA-N 0 3 287.407 2.334 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)c1c(F)cc(C#N)cc1F ZINC000156772338 188280433 /nfs/dbraw/zinc/28/04/33/188280433.db2.gz QVLLABGFVYCLBL-UHFFFAOYSA-N 0 3 295.333 2.249 20 30 CEEDHN CC(C)OC(=O)CCN(C)Cc1ccc(C#N)cc1 ZINC000157622293 188329068 /nfs/dbraw/zinc/32/90/68/188329068.db2.gz FRKUMGGZDPHMHA-UHFFFAOYSA-N 0 3 260.337 2.332 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000338118699 366198613 /nfs/dbraw/zinc/19/86/13/366198613.db2.gz RFMKQVADUBAAMR-WFASDCNBSA-N 0 3 283.375 2.175 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)c1cccc(C#N)c1C ZINC000338116222 366198703 /nfs/dbraw/zinc/19/87/03/366198703.db2.gz 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ZGMMSTMARXOJHK-OAHLLOKOSA-N 0 3 286.375 2.316 20 30 CEEDHN CN1CC[C@@H](CNc2ncc(Br)cc2C#N)C1 ZINC000297299875 200140526 /nfs/dbraw/zinc/14/05/26/200140526.db2.gz YMERTWFBEHXMMR-VIFPVBQESA-N 0 3 295.184 2.079 20 30 CEEDHN Cc1cc(C)cc(OC[C@H](O)CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000578859448 366557807 /nfs/dbraw/zinc/55/78/07/366557807.db2.gz OYEYARDBPNUCDK-ARFHVFGLSA-N 0 3 288.391 2.325 20 30 CEEDHN C=CCN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000151155203 366625964 /nfs/dbraw/zinc/62/59/64/366625964.db2.gz ONDALERGAOFOQK-UHFFFAOYSA-N 0 3 260.337 2.229 20 30 CEEDHN C=CCNC(=O)CN[C@H]1CC(C)(C)c2ccccc21 ZINC000180035994 189233846 /nfs/dbraw/zinc/23/38/46/189233846.db2.gz FQJHOWRPWVRCAV-AWEZNQCLSA-N 0 3 258.365 2.301 20 30 CEEDHN CCN1CCN(CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000677195901 540993862 /nfs/dbraw/zinc/99/38/62/540993862.db2.gz YFVCQNZFEYRMOF-CQSZACIVSA-N 0 3 260.356 2.203 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC2(CCOC2)CC1 ZINC000677720896 541037293 /nfs/dbraw/zinc/03/72/93/541037293.db2.gz 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CEEDHN Cc1[nH]c(C#N)cc1C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000335232624 364662983 /nfs/dbraw/zinc/66/29/83/364662983.db2.gz NQLKEITVRINQPT-UHFFFAOYSA-N 0 3 288.395 2.141 20 30 CEEDHN Cn1cncc1CN[C@H]1CCCN(c2ccccc2C#N)C1 ZINC000109077709 364717937 /nfs/dbraw/zinc/71/79/37/364717937.db2.gz MSVAGOSJPVKBMF-HNNXBMFYSA-N 0 3 295.390 2.050 20 30 CEEDHN Cn1cc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)cc1C#N ZINC000335702920 364855646 /nfs/dbraw/zinc/85/56/46/364855646.db2.gz BGKUHNHGJHIKTK-HUUCEWRRSA-N 0 3 273.380 2.145 20 30 CEEDHN C[C@H]1C[C@@H](CO)CN(Cc2cc(C#N)cs2)C1 ZINC000335613949 212325889 /nfs/dbraw/zinc/32/58/89/212325889.db2.gz MZAOHJVJDTXPNK-CMPLNLGQSA-N 0 3 250.367 2.070 20 30 CEEDHN C=CCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000113574882 364904910 /nfs/dbraw/zinc/90/49/10/364904910.db2.gz VAGLCYAPASAJEK-UHFFFAOYSA-N 0 3 287.407 2.478 20 30 CEEDHN CC(C)(C)OC(=O)CCNCc1cccc(C#N)c1 ZINC000113757843 364913786 /nfs/dbraw/zinc/91/37/86/364913786.db2.gz LJFGAIWNSRBEJT-UHFFFAOYSA-N 0 3 260.337 2.380 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(C#N)o1 ZINC000335766826 364953016 /nfs/dbraw/zinc/95/30/16/364953016.db2.gz IYVPKBRXCIBLFV-CYBMUJFWSA-N 0 3 275.352 2.001 20 30 CEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(C#N)cs1 ZINC000335917205 365157865 /nfs/dbraw/zinc/15/78/65/365157865.db2.gz DVKJKWWUJVNSEY-WCQYABFASA-N 0 3 289.404 2.319 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000119020226 365200957 /nfs/dbraw/zinc/20/09/57/365200957.db2.gz WKYDEPXISVLEIU-MQYQWHSLSA-N 0 3 265.401 2.256 20 30 CEEDHN CCN(CCC(=O)OC)Cc1ccc(F)c(C#N)c1 ZINC000119337117 365255988 /nfs/dbraw/zinc/25/59/88/365255988.db2.gz HYDJUQLTDBHHKO-UHFFFAOYSA-N 0 3 264.300 2.082 20 30 CEEDHN C#CCCCCC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000120295408 365404176 /nfs/dbraw/zinc/40/41/76/365404176.db2.gz TZXMDFHJGTYDSY-HUUCEWRRSA-N 0 3 262.397 2.123 20 30 CEEDHN C[C@@H](N[C@H]1CNCCC1(F)F)c1ccc(C#N)c(F)c1 ZINC000335566431 212275665 /nfs/dbraw/zinc/27/56/65/212275665.db2.gz ANJNFCJBUWSVGJ-RNCFNFMXSA-N 0 3 283.297 2.345 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccccn3)C2)s1 ZINC000120585317 365446134 /nfs/dbraw/zinc/44/61/34/365446134.db2.gz AGLDFNRFCGYBOS-LBPRGKRZSA-N 0 3 284.388 2.383 20 30 CEEDHN C=CCCOCCNCc1cc(OC)c2c(c1)OCCO2 ZINC000120824846 365481373 /nfs/dbraw/zinc/48/13/73/365481373.db2.gz MHNJNFSTUFFGKN-UHFFFAOYSA-N 0 3 293.363 2.149 20 30 CEEDHN C#CCOc1ccccc1CNCCOCCC=C ZINC000120842178 365483802 /nfs/dbraw/zinc/48/38/02/365483802.db2.gz JHPUREPBIVHYIJ-UHFFFAOYSA-N 0 3 259.349 2.381 20 30 CEEDHN CC(C)[C@H](O)C(C)(C)CNC[C@@H](C#N)CCC#N ZINC000582421102 366910279 /nfs/dbraw/zinc/91/02/79/366910279.db2.gz WWRNKONJJCIJAR-OLZOCXBDSA-N 0 3 251.374 2.063 20 30 CEEDHN CC[C@H](C)CN(CC)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000160584226 367019383 /nfs/dbraw/zinc/01/93/83/367019383.db2.gz VTEZGYRTHSSMBA-WFASDCNBSA-N 0 3 273.380 2.453 20 30 CEEDHN CCC[C@H](C#N)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000583858890 367106295 /nfs/dbraw/zinc/10/62/95/367106295.db2.gz YXADQIMGADVQSB-ZDEQEGDKSA-N 0 3 251.374 2.056 20 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260.312 2.285 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N1CCC[C@H](N(C)C)C1 ZINC000341468225 367345945 /nfs/dbraw/zinc/34/59/45/367345945.db2.gz RYQTWXHTCLJMBK-OLZOCXBDSA-N 0 3 253.390 2.077 20 30 CEEDHN C=Cn1cc(CNCCc2cccc(C#N)c2)cn1 ZINC000341486191 367353930 /nfs/dbraw/zinc/35/39/30/367353930.db2.gz MSJBUGDEAMQSDD-UHFFFAOYSA-N 0 3 252.321 2.188 20 30 CEEDHN COc1ccc(C[C@H](C)CN(C)C(=O)C(C)C#N)cc1 ZINC000342399699 367404742 /nfs/dbraw/zinc/40/47/42/367404742.db2.gz VLLRMTNMNKBROV-STQMWFEESA-N 0 3 274.364 2.492 20 30 CEEDHN CCN1C[C@@H](C)N(c2cc(C)nc(C#N)c2)C[C@@H]1C ZINC000342474838 367411963 /nfs/dbraw/zinc/41/19/63/367411963.db2.gz NCCAJJYCNGBLOR-QWHCGFSZSA-N 0 3 258.369 2.181 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCCOC1)C(C)C ZINC000170811524 367422134 /nfs/dbraw/zinc/42/21/34/367422134.db2.gz JGHCRMDGYLYOBH-HZPDHXFCSA-N 0 3 294.439 2.228 20 30 CEEDHN C=CCNC(=O)CN[C@@H](C)CCc1c[nH]c2ccccc12 ZINC000631610458 367439289 /nfs/dbraw/zinc/43/92/89/367439289.db2.gz BCVSPBXZAFSAIH-ZDUSSCGKSA-N 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20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](C2CC2)C1 ZINC000344057589 368104676 /nfs/dbraw/zinc/10/46/76/368104676.db2.gz WEGCRHNJGNCDMU-DZGCQCFKSA-N 0 3 262.397 2.307 20 30 CEEDHN C=C(C)CNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000633174708 368091491 /nfs/dbraw/zinc/09/14/91/368091491.db2.gz AKCGKLRUJDMGMT-MRXNPFEDSA-N 0 3 287.407 2.445 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000179316301 368332072 /nfs/dbraw/zinc/33/20/72/368332072.db2.gz PUCQMTQEFNKNJV-KGLIPLIRSA-N 0 3 279.428 2.324 20 30 CEEDHN CN(C)CCN(Cc1ccccc1)C(=O)c1c[nH]c(C#N)c1 ZINC000181194461 368431390 /nfs/dbraw/zinc/43/13/90/368431390.db2.gz SBNHCPMBYDKUDO-UHFFFAOYSA-N 0 3 296.374 2.090 20 30 CEEDHN N#CCNC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182590950 368569900 /nfs/dbraw/zinc/56/99/00/368569900.db2.gz DHYLJOMBQVWBDT-HNNXBMFYSA-N 0 3 291.782 2.411 20 30 CEEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000346171767 368573901 /nfs/dbraw/zinc/57/39/01/368573901.db2.gz 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CCc1nnc(N2CC[C@H]3CCN(C)[C@@H]3C2)c(C#N)c1CC ZINC000364314131 372724488 /nfs/dbraw/zinc/72/44/88/372724488.db2.gz YZTORLIZXIKMRY-MLGOLLRUSA-N 0 3 299.422 2.003 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc(Br)s1 ZINC000641769295 372709042 /nfs/dbraw/zinc/70/90/42/372709042.db2.gz RZVREYRFLPSNLX-SECBINFHSA-N 0 3 288.210 2.375 20 30 CEEDHN C#CC[C@H](NC(=O)N1CCCN(C)CC1)c1ccccc1 ZINC000270333100 372744865 /nfs/dbraw/zinc/74/48/65/372744865.db2.gz MJUALUSNMMYBPA-INIZCTEOSA-N 0 3 285.391 2.098 20 30 CEEDHN C#CCCN(CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000270612341 372866583 /nfs/dbraw/zinc/86/65/83/372866583.db2.gz NLABHITWCDBLFW-UHFFFAOYSA-N 0 3 281.302 2.353 20 30 CEEDHN C=CC[C@H](C)NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000365523968 372883612 /nfs/dbraw/zinc/88/36/12/372883612.db2.gz KJJIGVOOJKIKSV-AWEZNQCLSA-N 0 3 287.407 2.374 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 ZINC000365730363 372921293 /nfs/dbraw/zinc/92/12/93/372921293.db2.gz AADGGHWKTRFOLG-BRWVUGGUSA-N 0 3 297.402 2.459 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N(CC)CCc1cccs1 ZINC000270782161 372949776 /nfs/dbraw/zinc/94/97/76/372949776.db2.gz OZBGVPYFGGVRKX-GFCCVEGCSA-N 0 3 266.410 2.303 20 30 CEEDHN C#CCCCN1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000271027060 373076479 /nfs/dbraw/zinc/07/64/79/373076479.db2.gz KDQBPICKWGYHQN-UHFFFAOYSA-N 0 3 288.366 2.387 20 30 CEEDHN C#CCOc1ccccc1CN1CC[C@@H](COC)C1 ZINC000271189288 373172394 /nfs/dbraw/zinc/17/23/94/373172394.db2.gz OYVTYZYOZDCVOP-CQSZACIVSA-N 0 3 259.349 2.167 20 30 CEEDHN C[C@H](NC[C@@]1(O)CCSC1)c1ccc(C#N)c(F)c1 ZINC000271941343 373227337 /nfs/dbraw/zinc/22/73/37/373227337.db2.gz LYNXFQVRVBKNGU-HZMBPMFUSA-N 0 3 280.368 2.216 20 30 CEEDHN CC(C)[C@@H](O)C1(CNCc2ccc(C#N)cc2)CC1 ZINC000271959597 373234768 /nfs/dbraw/zinc/23/47/68/373234768.db2.gz FOVLBUCOEHQCHO-OAHLLOKOSA-N 0 3 258.365 2.445 20 30 CEEDHN COc1cc(CN2CC[C@H]([C@H]3CCOC3)C2)ccc1C#N ZINC000369112492 373335309 /nfs/dbraw/zinc/33/53/09/373335309.db2.gz LZDKCUHLLOPIPJ-HOTGVXAUSA-N 0 3 286.375 2.425 20 30 CEEDHN C=CCOc1cccc(NC(=O)[C@H]2CNCCC2(F)F)c1 ZINC000644016204 373341272 /nfs/dbraw/zinc/34/12/72/373341272.db2.gz ULIDSDKKRRKIJS-CYBMUJFWSA-N 0 3 296.317 2.435 20 30 CEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc(C#N)cs1 ZINC000272198971 373355017 /nfs/dbraw/zinc/35/50/17/373355017.db2.gz PCLURBVXFMMESV-NSHDSACASA-N 0 3 291.420 2.422 20 30 CEEDHN N#Cc1ccc(OCCN2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC000369377210 373402009 /nfs/dbraw/zinc/40/20/09/373402009.db2.gz HOMHCHDIEDUTJK-FKEKPDDDSA-N 0 3 286.375 2.030 20 30 CEEDHN C=CCOCCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000272422902 373476009 /nfs/dbraw/zinc/47/60/09/373476009.db2.gz IGJIGCNLCVYVKP-LLVKDONJSA-N 0 3 250.298 2.448 20 30 CEEDHN N#Cc1ccc(CNCCOc2ncccc2F)s1 ZINC000345022023 217386602 /nfs/dbraw/zinc/38/66/02/217386602.db2.gz QFSHZPASZRUBLQ-UHFFFAOYSA-N 0 3 277.324 2.322 20 30 CEEDHN CN1C[C@H]2CCN(CC#Cc3cccc(Cl)c3)[C@H]2C1 ZINC000644730794 373635761 /nfs/dbraw/zinc/63/57/61/373635761.db2.gz WBXUQAXCOORGHZ-ZBFHGGJFSA-N 0 3 274.795 2.327 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H](C)[C@@H](C)c1ccccc1 ZINC000272838967 373675945 /nfs/dbraw/zinc/67/59/45/373675945.db2.gz JIFBMHVPYUSAKA-KGLIPLIRSA-N 0 3 281.421 2.369 20 30 CEEDHN C[C@H](NC(=O)NCc1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000272867514 373686166 /nfs/dbraw/zinc/68/61/66/373686166.db2.gz WAWWXTVQNYQMSY-ZDUSSCGKSA-N 0 3 298.390 2.008 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC2CCC(F)CC2)CC1 ZINC000645232644 373935613 /nfs/dbraw/zinc/93/56/13/373935613.db2.gz KRWMWDJYJCUTMK-UHFFFAOYSA-N 0 3 297.418 2.464 20 30 CEEDHN C=CCCCCNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000645447176 374058679 /nfs/dbraw/zinc/05/86/79/374058679.db2.gz YMHCMJKPZFPWAK-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN C[C@@H]1CCCCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000274916919 374094501 /nfs/dbraw/zinc/09/45/01/374094501.db2.gz YBBJOCSJSIAJEG-CQSZACIVSA-N 0 3 285.391 2.296 20 30 CEEDHN CO[C@H]1CCCC[C@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000275168104 374175663 /nfs/dbraw/zinc/17/56/63/374175663.db2.gz AIIKYFOYBGZTDR-CABCVRRESA-N 0 3 287.363 2.044 20 30 CEEDHN COCC#CCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000684004638 541906784 /nfs/dbraw/zinc/90/67/84/541906784.db2.gz AGSBRIDGKVOMSL-UHFFFAOYSA-N 0 3 287.407 2.049 20 30 CEEDHN COC(=O)CCN(CC#Cc1ccccc1)C(C)C ZINC000276818058 374312416 /nfs/dbraw/zinc/31/24/16/374312416.db2.gz OZTCANURECNNOD-UHFFFAOYSA-N 0 3 259.349 2.312 20 30 CEEDHN C=CCCN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000277000837 374374584 /nfs/dbraw/zinc/37/45/84/374374584.db2.gz WGMYIDDPOLIORA-HIFRSBDPSA-N 0 3 280.318 2.402 20 30 CEEDHN CC#CC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000277296143 374467652 /nfs/dbraw/zinc/46/76/52/374467652.db2.gz DGIHGIYBIGVRRN-CYBMUJFWSA-N 0 3 264.394 2.271 20 30 CEEDHN CC(C)n1cccc1C(=O)C(C#N)c1ccncn1 ZINC000354457185 261491098 /nfs/dbraw/zinc/49/10/98/261491098.db2.gz ABPZZNSMFJLYEY-LLVKDONJSA-N 0 3 254.293 2.349 20 30 CEEDHN C[C@H](N[C@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(C#N)s1 ZINC000374507832 374586862 /nfs/dbraw/zinc/58/68/62/374586862.db2.gz TWRHSXZWRPPCTI-DRZSPHRISA-N 0 3 289.404 2.424 20 30 CEEDHN C=CCCN1CCN(c2cc(C3(C)CC3)[nH]n2)CC1 ZINC000374809920 374631045 /nfs/dbraw/zinc/63/10/45/374631045.db2.gz JLGMKDFCQXPYIN-UHFFFAOYSA-N 0 3 260.385 2.159 20 30 CEEDHN Cc1ccc(C#N)c(NCCCN2CCCO[C@@H](C)C2)n1 ZINC000277681038 374608010 /nfs/dbraw/zinc/60/80/10/374608010.db2.gz QGEIHBDTDHDINZ-AWEZNQCLSA-N 0 3 288.395 2.175 20 30 CEEDHN C=CCCCN1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374640483 374619834 /nfs/dbraw/zinc/61/98/34/374619834.db2.gz ZRHQEPSOCNEDAS-GFCCVEGCSA-N 0 3 264.373 2.281 20 30 CEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(C#N)s1 ZINC000334233830 206230240 /nfs/dbraw/zinc/23/02/40/206230240.db2.gz OUVQLEYDDNXCJI-NSHDSACASA-N 0 3 291.420 2.422 20 30 CEEDHN CC(C)(C#N)CCCCN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000375723732 374673995 /nfs/dbraw/zinc/67/39/95/374673995.db2.gz HDCMKNIGZZMNIM-IHRRRGAJSA-N 0 3 277.412 2.292 20 30 CEEDHN Cn1cc(CN2CCC23CCC(CO)CC3)cc1C#N ZINC000377308622 374834700 /nfs/dbraw/zinc/83/47/00/374834700.db2.gz MOCVOXVYCPXISK-UHFFFAOYSA-N 0 3 273.380 2.024 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN1C1CC1 ZINC000279826292 375002354 /nfs/dbraw/zinc/00/23/54/375002354.db2.gz YPSAOMDTCRGNMR-MRXNPFEDSA-N 0 3 283.375 2.143 20 30 CEEDHN CC[C@@H]1[C@H](CO)CCN1CCOc1ccccc1C#N ZINC000385710335 375240766 /nfs/dbraw/zinc/24/07/66/375240766.db2.gz QUTDKPIYDOARDY-LSDHHAIUSA-N 0 3 274.364 2.030 20 30 CEEDHN CC1(C)CN(CCOc2ccc(C#N)cc2)[C@@H]2COC[C@@H]21 ZINC000384862343 375219314 /nfs/dbraw/zinc/21/93/14/375219314.db2.gz LQXCMQIYWOISAO-JKSUJKDBSA-N 0 3 286.375 2.294 20 30 CEEDHN C#C[C@@H](NC[C@H](O)COc1ccccc1Cl)C(C)C ZINC000387630207 375279812 /nfs/dbraw/zinc/27/98/12/375279812.db2.gz HUZBPTCPPFEFDL-GXTWGEPZSA-N 0 3 281.783 2.327 20 30 CEEDHN N#Cc1ccnc(NC[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000390792366 375312959 /nfs/dbraw/zinc/31/29/59/375312959.db2.gz XHZOBMOUQVNWLQ-HNNXBMFYSA-N 0 3 293.374 2.282 20 30 CEEDHN C=CCCOCCNCc1cn(C(C)C)nc1C ZINC000281232944 375366344 /nfs/dbraw/zinc/36/63/44/375366344.db2.gz DYQFHQAWRVGELF-UHFFFAOYSA-N 0 3 251.374 2.455 20 30 CEEDHN Cc1cc([C@@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)n[nH]1 ZINC000283073073 375648410 /nfs/dbraw/zinc/64/84/10/375648410.db2.gz QOCVSJJUCFJXHD-CQSZACIVSA-N 0 3 283.379 2.308 20 30 CEEDHN Cc1cc([C@@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)[nH]n1 ZINC000283073073 375648416 /nfs/dbraw/zinc/64/84/16/375648416.db2.gz QOCVSJJUCFJXHD-CQSZACIVSA-N 0 3 283.379 2.308 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc(C#N)cc1OC ZINC000283030822 375640069 /nfs/dbraw/zinc/64/00/69/375640069.db2.gz HOPHNBRGRURJEX-RYUDHWBXSA-N 0 3 290.363 2.244 20 30 CEEDHN C[C@@H](NCCC(C)(C)S(C)(=O)=O)c1cccc(C#N)c1 ZINC000414252679 375805324 /nfs/dbraw/zinc/80/53/24/375805324.db2.gz HXHPXEQICSPCDD-GFCCVEGCSA-N 0 3 294.420 2.422 20 30 CEEDHN Cc1c(Cl)cnc(N[C@@H](C)CN(C)C)c1C#N ZINC000286371029 375930365 /nfs/dbraw/zinc/93/03/65/375930365.db2.gz JWKSOVRRPPMVIK-QMMMGPOBSA-N 0 3 252.749 2.277 20 30 CEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cccc(C#N)c1 ZINC000286653562 376027055 /nfs/dbraw/zinc/02/70/55/376027055.db2.gz BTVHYWVKDBEJPO-CJNGLKHVSA-N 0 3 283.375 2.257 20 30 CEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc(C#N)cs1 ZINC000287007238 376128274 /nfs/dbraw/zinc/12/82/74/376128274.db2.gz HRBSFUAXQMZBFC-AAEUAGOBSA-N 0 3 289.404 2.319 20 30 CEEDHN CC[C@@H](C)N(CCO)Cc1ccc(F)c(C#N)c1 ZINC000287593044 376270138 /nfs/dbraw/zinc/27/01/38/376270138.db2.gz YIVRSERFQJJYDO-LLVKDONJSA-N 0 3 250.317 2.290 20 30 CEEDHN C=CCN(C)C(=O)NC[C@@H](N)c1ccccc1CC ZINC000418644834 376317862 /nfs/dbraw/zinc/31/78/62/376317862.db2.gz CPMNWWURESHDPK-CQSZACIVSA-N 0 3 261.369 2.076 20 30 CEEDHN Cn1ccnc1[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000556745593 376476991 /nfs/dbraw/zinc/47/69/91/376476991.db2.gz BFPIAOFKCPJYSH-ZDUSSCGKSA-N 0 3 284.338 2.420 20 30 CEEDHN C=CCNC(=O)NC(=O)CN(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419321537 376441843 /nfs/dbraw/zinc/44/18/43/376441843.db2.gz GDNRWSBPAOLLNX-STQMWFEESA-N 0 3 295.427 2.145 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000289680329 376443403 /nfs/dbraw/zinc/44/34/03/376443403.db2.gz HRQYAUBEMVJRAD-JSGCOSHPSA-N 0 3 274.364 2.011 20 30 CEEDHN C[C@@H]1[C@H](C)CN(CC(=O)NC2(C#N)CCCCC2)[C@H]1C ZINC000419388619 376449373 /nfs/dbraw/zinc/44/93/73/376449373.db2.gz GRERLDMRPROXQZ-MCIONIFRSA-N 0 3 277.412 2.305 20 30 CEEDHN N#Cc1cc(Br)cnc1NCCN1CCCC1 ZINC000310080173 376612901 /nfs/dbraw/zinc/61/29/01/376612901.db2.gz ISKABKXNRIOXIY-UHFFFAOYSA-N 0 3 295.184 2.223 20 30 CEEDHN N#Cc1nccc(N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000310014891 376613023 /nfs/dbraw/zinc/61/30/23/376613023.db2.gz MYWUPVDONGJRHR-HNNXBMFYSA-N 0 3 293.374 2.425 20 30 CEEDHN C=C1CCN(C[C@@H](O)COCc2cccs2)CC1 ZINC000264542825 190117341 /nfs/dbraw/zinc/11/73/41/190117341.db2.gz NCSPGOJDAROYOO-CYBMUJFWSA-N 0 3 267.394 2.278 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(C)C[C@@H]1CCCN1C ZINC000420859261 376726662 /nfs/dbraw/zinc/72/66/62/376726662.db2.gz GRLMMOGMCYNXNP-STQMWFEESA-N 0 3 253.390 2.077 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N(C)C[C@@H]1CCCN1C ZINC000420859115 376726747 /nfs/dbraw/zinc/72/67/47/376726747.db2.gz GRLMMOGMCYNXNP-OLZOCXBDSA-N 0 3 253.390 2.077 20 30 CEEDHN C[C@@H](Nc1cncc(C#N)n1)[C@H](c1ccccc1)N(C)C ZINC000420630342 376697701 /nfs/dbraw/zinc/69/77/01/376697701.db2.gz RRGFDVSNGYTTOP-MLGOLLRUSA-N 0 3 281.363 2.452 20 30 CEEDHN C[C@H](Nc1cncc(C#N)n1)[C@H](c1ccccc1)N(C)C ZINC000420630340 376697990 /nfs/dbraw/zinc/69/79/90/376697990.db2.gz RRGFDVSNGYTTOP-BLLLJJGKSA-N 0 3 281.363 2.452 20 30 CEEDHN CC1(C)CN(CCOc2ccccc2C#N)CCCO1 ZINC000313227370 376739829 /nfs/dbraw/zinc/73/98/29/376739829.db2.gz RZPINKYXVGGEMW-UHFFFAOYSA-N 0 3 274.364 2.438 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](C2CCCC2)C1 ZINC000420963552 376749320 /nfs/dbraw/zinc/74/93/20/376749320.db2.gz NQZJQFPMOKYOHG-ZFWWWQNUSA-N 0 3 277.412 2.259 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](CCO)CC1 ZINC000421014583 376790677 /nfs/dbraw/zinc/79/06/77/376790677.db2.gz KNWBFEOFZBTENA-HOTGVXAUSA-N 0 3 294.439 2.060 20 30 CEEDHN C[C@H](C(=O)N(C)C[C@@H]1CCCN1C)c1cccc(C#N)c1 ZINC000421710779 376844938 /nfs/dbraw/zinc/84/49/38/376844938.db2.gz MIBWPUYENFYJAS-BBRMVZONSA-N 0 3 285.391 2.214 20 30 CEEDHN CC(=O)Nc1ccn([C@@H]2CCN(C[C@@H]3CCCCO3)C2)n1 ZINC000328638853 376869283 /nfs/dbraw/zinc/86/92/83/376869283.db2.gz WPORQBPNXJMXLZ-KGLIPLIRSA-N 0 3 292.383 2.307 20 30 CEEDHN Cc1noc([C@H](C)NC(=O)C2CCN(C3CC3)CC2)n1 ZINC000328685252 376879732 /nfs/dbraw/zinc/87/97/32/376879732.db2.gz FMVJZIQALJBHCT-VIFPVBQESA-N 0 3 278.356 2.270 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N[C@H](C)C2)CN1C1CC1 ZINC000329346216 376950770 /nfs/dbraw/zinc/95/07/70/376950770.db2.gz RGDIKJBEFKSJRA-WISYIIOYSA-N 0 3 279.384 2.323 20 30 CEEDHN CCc1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc(=O)[nH]1 ZINC000329360054 376953827 /nfs/dbraw/zinc/95/38/27/376953827.db2.gz XUCSNYFJNBTJAV-LLVKDONJSA-N 0 3 289.379 2.305 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1cc(C#N)ccc1F ZINC000330943972 377207538 /nfs/dbraw/zinc/20/75/38/377207538.db2.gz GAGPEIXITPGCDX-RYUDHWBXSA-N 0 3 289.354 2.186 20 30 CEEDHN C#Cc1ccccc1CC(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000291744376 377208338 /nfs/dbraw/zinc/20/83/38/377208338.db2.gz SXPJEAHBIRZDAJ-KRWDZBQOSA-N 0 3 284.403 2.199 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](CSC)C1 ZINC000292453378 377247813 /nfs/dbraw/zinc/24/78/13/377247813.db2.gz POWRJEVOIFEQRN-AWEZNQCLSA-N 0 3 282.453 2.262 20 30 CEEDHN CN1CCC(NC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000331034591 377251661 /nfs/dbraw/zinc/25/16/61/377251661.db2.gz YMVDKCSZBNFMFP-HNNXBMFYSA-N 0 3 285.391 2.284 20 30 CEEDHN C#CCN(C)CCCNc1cc(Cl)nc(C2CC2)n1 ZINC000292696778 377262250 /nfs/dbraw/zinc/26/22/50/377262250.db2.gz FVUXHKBSZOHFSQ-UHFFFAOYSA-N 0 3 278.787 2.374 20 30 CEEDHN C[C@@H]1CCC[C@]1(O)CNCc1ccc(C#N)cc1F ZINC000292887977 377334371 /nfs/dbraw/zinc/33/43/71/377334371.db2.gz CRXAGDJMFKMENY-ABAIWWIYSA-N 0 3 262.328 2.338 20 30 CEEDHN Cc1c(F)cccc1NC(=O)CCNCCCC#N ZINC000564873821 377486345 /nfs/dbraw/zinc/48/63/45/377486345.db2.gz TXOQKSRDVHSLGH-UHFFFAOYSA-N 0 3 263.316 2.356 20 30 CEEDHN C=CCN(C)CCN(CC)CC(=O)N(C)C1CCCCC1 ZINC000429727981 377519070 /nfs/dbraw/zinc/51/90/70/377519070.db2.gz WKRMFZXETDWVGD-UHFFFAOYSA-N 0 3 295.471 2.217 20 30 CEEDHN Cc1cc(C)n2c(CNCC3(CC#N)CC3)cnc2n1 ZINC000430021417 377524269 /nfs/dbraw/zinc/52/42/69/377524269.db2.gz JHEWNRLULKEXTH-UHFFFAOYSA-N 0 3 269.352 2.130 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@](C)(C(=O)NC)C1 ZINC000430773164 377551923 /nfs/dbraw/zinc/55/19/23/377551923.db2.gz QVXNGMIAYLLLPO-KRWDZBQOSA-N 0 3 288.391 2.209 20 30 CEEDHN C#CC(C)(C)NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000265251321 190169407 /nfs/dbraw/zinc/16/94/07/190169407.db2.gz TXCHRDHPDZIKJL-UHFFFAOYSA-N 0 3 270.376 2.424 20 30 CEEDHN C=CC[C@H](C)NC(=O)c1ccccc1OCCN(C)C ZINC000265318421 190174577 /nfs/dbraw/zinc/17/45/77/190174577.db2.gz HIJFMPFRHXEXLD-ZDUSSCGKSA-N 0 3 276.380 2.321 20 30 CEEDHN C#CCN(CCc1cnn(C)c1)Cc1ccc(F)cc1 ZINC000265610797 190193771 /nfs/dbraw/zinc/19/37/71/190193771.db2.gz OIDKVCJSDMXYOZ-UHFFFAOYSA-N 0 3 271.339 2.237 20 30 CEEDHN C[C@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000265801368 190207895 /nfs/dbraw/zinc/20/78/95/190207895.db2.gz BXSCHULKAOJPQP-KBPBESRZSA-N 0 3 285.391 2.295 20 30 CEEDHN CC[C@@H](O)[C@@H](CC)NCc1ccc(C#N)c(OC)c1 ZINC000313174020 249389069 /nfs/dbraw/zinc/38/90/69/249389069.db2.gz YLPSIBNDJGWNBW-ZIAGYGMSSA-N 0 3 262.353 2.206 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000433130712 377780306 /nfs/dbraw/zinc/78/03/06/377780306.db2.gz SJXNIRCPOZOILF-GJZGRUSLSA-N 0 3 272.348 2.054 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCc2sc(Cl)cc2C1 ZINC000566259297 377749750 /nfs/dbraw/zinc/74/97/50/377749750.db2.gz TWTUHDXQJBJJSH-SNVBAGLBSA-N 0 3 297.811 2.307 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccn(C(F)F)n1 ZINC000435742046 377811003 /nfs/dbraw/zinc/81/10/03/377811003.db2.gz LNRHQPKSLHYDNF-ZYHUDNBSSA-N 0 3 271.311 2.349 20 30 CEEDHN CC(C#N)C(=O)NCc1nccn1CCCc1ccccc1 ZINC000434377225 377797371 /nfs/dbraw/zinc/79/73/71/377797371.db2.gz LWHPFALQLGDFRN-CQSZACIVSA-N 0 3 296.374 2.292 20 30 CEEDHN CC#CCCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000434981375 377801082 /nfs/dbraw/zinc/80/10/82/377801082.db2.gz FTQKKKFMTBFMLI-UHFFFAOYSA-N 0 3 293.374 2.362 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000437367770 377844023 /nfs/dbraw/zinc/84/40/23/377844023.db2.gz XRMZRGSBHSAJJH-GEOGLEFRSA-N 0 3 268.238 2.236 20 30 CEEDHN C=CC[C@H](C)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000439956334 377928386 /nfs/dbraw/zinc/92/83/86/377928386.db2.gz HSVGTPUVXTZLDE-JSGCOSHPSA-N 0 3 250.386 2.474 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441292512 377934428 /nfs/dbraw/zinc/93/44/28/377934428.db2.gz ZHBXLNVBAWWORR-CVEARBPZSA-N 0 3 294.439 2.160 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(C)cs2)CC1 ZINC000294677199 378007433 /nfs/dbraw/zinc/00/74/33/378007433.db2.gz ROWZEAPMXNTOOX-UHFFFAOYSA-N 0 3 264.394 2.437 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@H](CN2CCOCC2)c2ccccc2)C1 ZINC000442635867 377973793 /nfs/dbraw/zinc/97/37/93/377973793.db2.gz KLIDSUPPHPSFGJ-BPQIPLTHSA-N 0 3 299.418 2.342 20 30 CEEDHN C=CCOCCN[C@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000294414100 377986209 /nfs/dbraw/zinc/98/62/09/377986209.db2.gz DEAKBKGHEPDPGG-CYBMUJFWSA-N 0 3 293.363 2.092 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000294425128 377986443 /nfs/dbraw/zinc/98/64/43/377986443.db2.gz DRGABLZXVOYYHA-LLVKDONJSA-N 0 3 298.308 2.496 20 30 CEEDHN CC#CC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000294589961 377998817 /nfs/dbraw/zinc/99/88/17/377998817.db2.gz XAGIUZGXMWKLCE-CQSZACIVSA-N 0 3 276.405 2.151 20 30 CEEDHN C=CCC(F)(F)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000294923846 378029268 /nfs/dbraw/zinc/02/92/68/378029268.db2.gz KMQRQEGWDZCZOB-UHFFFAOYSA-N 0 3 286.322 2.381 20 30 CEEDHN C#CCN(C)CCCN[C@H](C)c1ccccc1OC ZINC000295092747 378040457 /nfs/dbraw/zinc/04/04/57/378040457.db2.gz UZJOSGBHAKWHKD-CQSZACIVSA-N 0 3 260.381 2.301 20 30 CEEDHN C#CCN(C)CCCN[C@H](COC)c1ccc(F)c(F)c1 ZINC000295091279 378040507 /nfs/dbraw/zinc/04/05/07/378040507.db2.gz UWCZLOLGBSRLCR-MRXNPFEDSA-N 0 3 296.361 2.197 20 30 CEEDHN C=CCCCC(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000443664542 378070017 /nfs/dbraw/zinc/07/00/17/378070017.db2.gz DNCXNLAAGCZUKB-GJZGRUSLSA-N 0 3 282.428 2.348 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1CC(=O)c1ccccc1 ZINC000443838123 378073984 /nfs/dbraw/zinc/07/39/84/378073984.db2.gz FGPKOTHTNOFNRC-JSGCOSHPSA-N 0 3 270.332 2.410 20 30 CEEDHN C[C@H]1CCN(CCCCC(C)(C)C#N)[C@@H](C(N)=O)C1 ZINC000444666474 378078764 /nfs/dbraw/zinc/07/87/64/378078764.db2.gz BARLBLULVKOMRK-QWHCGFSZSA-N 0 3 265.401 2.292 20 30 CEEDHN C=CC[C@H]1N(CC(=O)NC[C@H]2CCCO2)CCCC1(C)C ZINC000444794313 378081830 /nfs/dbraw/zinc/08/18/30/378081830.db2.gz VBMYISANASHUQY-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)CN(CC)Cc1ccc2c(c1)NC(=O)CO2 ZINC000294859360 378024258 /nfs/dbraw/zinc/02/42/58/378024258.db2.gz JHYXGFDVUJWDIJ-UHFFFAOYSA-N 0 3 260.337 2.416 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC23CCSCC3)CC1 ZINC000448922091 378191666 /nfs/dbraw/zinc/19/16/66/378191666.db2.gz PQOOXDRULUOHQR-AWEZNQCLSA-N 0 3 294.464 2.286 20 30 CEEDHN C=CCC[C@H](CO)NCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000449694914 378220782 /nfs/dbraw/zinc/22/07/82/378220782.db2.gz CVFXZBZRVKBXSP-SWLSCSKDSA-N 0 3 291.391 2.435 20 30 CEEDHN C=CCCCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000447963413 378164734 /nfs/dbraw/zinc/16/47/34/378164734.db2.gz JUXKBSZBFFXRRW-AWEZNQCLSA-N 0 3 267.417 2.372 20 30 CEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000448561982 378173095 /nfs/dbraw/zinc/17/30/95/378173095.db2.gz ITEDBFUMHWLKJX-KDOFPFPSSA-N 0 3 297.402 2.317 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000448608303 378175246 /nfs/dbraw/zinc/17/52/46/378175246.db2.gz VMXSISKUMDKCEX-HNNXBMFYSA-N 0 3 274.408 2.488 20 30 CEEDHN CN(C)C(=O)N[C@@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000449745004 378226528 /nfs/dbraw/zinc/22/65/28/378226528.db2.gz KTNNIIVVJHDMNN-CYBMUJFWSA-N 0 3 280.416 2.052 20 30 CEEDHN C[C@@H](CO)[C@H](C)NCc1cc(C#N)ccc1Br ZINC000295670233 378259109 /nfs/dbraw/zinc/25/91/09/378259109.db2.gz FZMCPLBQRNUAJX-UWVGGRQHSA-N 0 3 297.196 2.427 20 30 CEEDHN C#CCN(C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295934224 378360628 /nfs/dbraw/zinc/36/06/28/378360628.db2.gz HKQNUDLVNRCLKU-UHFFFAOYSA-N 0 3 272.392 2.367 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC1(CO)CCCC1 ZINC000450400943 378395325 /nfs/dbraw/zinc/39/53/25/378395325.db2.gz HEQMUHNUSSLKNE-OAHLLOKOSA-N 0 3 286.375 2.180 20 30 CEEDHN C#C[C@@H](C)NCc1ccccc1N1CCO[C@H](C)C1 ZINC000298214674 378695450 /nfs/dbraw/zinc/69/54/50/378695450.db2.gz ZKXFWYONWIIYAB-ZIAGYGMSSA-N 0 3 258.365 2.023 20 30 CEEDHN C#CCO[C@@H](C)C(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000298689442 378801069 /nfs/dbraw/zinc/80/10/69/378801069.db2.gz YNSQGQNRWMMZQB-GOEBONIOSA-N 0 3 298.386 2.036 20 30 CEEDHN COC1([C@@H](C)NCc2ccc(C#N)cc2F)CCOCC1 ZINC000453089672 378798861 /nfs/dbraw/zinc/79/88/61/378798861.db2.gz BKXGILWFYKUNPO-GFCCVEGCSA-N 0 3 292.354 2.371 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1nc(Cl)c(C#N)s1 ZINC000278672374 194095672 /nfs/dbraw/zinc/09/56/72/194095672.db2.gz KFAXONUUGGWNQY-IUCAKERBSA-N 0 3 284.816 2.445 20 30 CEEDHN Cc1nc(C(C#N)C(=O)Nc2nccs2)sc1C ZINC000505454521 379078936 /nfs/dbraw/zinc/07/89/36/379078936.db2.gz BQUKESQDZYZUSO-QMMMGPOBSA-N 0 3 278.362 2.462 20 30 CEEDHN N#CCCC1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000516461550 379279730 /nfs/dbraw/zinc/27/97/30/379279730.db2.gz VQJPUDQAYLWRPT-MRXNPFEDSA-N 0 3 288.391 2.442 20 30 CEEDHN CC1(C#N)CN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000520490782 379478249 /nfs/dbraw/zinc/47/82/49/379478249.db2.gz XJUALHGRTJKBGK-QGZVFWFLSA-N 0 3 299.418 2.123 20 30 CEEDHN CC(C)CC[C@@](C)(O)CNCc1ccc(C#N)o1 ZINC000304288860 379546411 /nfs/dbraw/zinc/54/64/11/379546411.db2.gz IXKLAWZENIIYRA-CQSZACIVSA-N 0 3 250.342 2.428 20 30 CEEDHN C#CCN(CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000266924480 190291313 /nfs/dbraw/zinc/29/13/13/190291313.db2.gz MXIROZQYGLEHDZ-UHFFFAOYSA-N 0 3 289.335 2.187 20 30 CEEDHN C=CCC[C@@H](O)CN1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000305096307 379635466 /nfs/dbraw/zinc/63/54/66/379635466.db2.gz SYAQTQHWUODFAY-CQSZACIVSA-N 0 3 298.427 2.256 20 30 CEEDHN CCNC(=O)C1(CNCc2ccc(C#N)s2)CCC1 ZINC000362985760 183686760 /nfs/dbraw/zinc/68/67/60/183686760.db2.gz GCQWMKPFSHGASM-UHFFFAOYSA-N 0 3 277.393 2.016 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CCC(n3cccn3)CC2)cc1 ZINC000305054790 379612498 /nfs/dbraw/zinc/61/24/98/379612498.db2.gz BVTDDNYLZCNIRB-QGZVFWFLSA-N 0 3 296.374 2.125 20 30 CEEDHN CC(C)N(Cc1ccc(F)c(C#N)c1)C[C@@H](C)O ZINC000305065016 379618532 /nfs/dbraw/zinc/61/85/32/379618532.db2.gz REUZZPTVKFRFAI-LLVKDONJSA-N 0 3 250.317 2.289 20 30 CEEDHN C[C@@H]1CN(CC(=O)NC2(C#N)CCC2)[C@@H]2CCCC[C@H]21 ZINC000526291317 379706226 /nfs/dbraw/zinc/70/62/26/379706226.db2.gz XABRJUCMEWRSLB-HZSPNIEDSA-N 0 3 275.396 2.059 20 30 CEEDHN CC(C)[C@@H]1CN(CC#N)CCN1Cc1ccccc1 ZINC000528635925 380036638 /nfs/dbraw/zinc/03/66/38/380036638.db2.gz BGLYYJIIXMBTAF-INIZCTEOSA-N 0 3 257.381 2.352 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C/c1ccc(C#N)cc1 ZINC000268143703 190380377 /nfs/dbraw/zinc/38/03/77/190380377.db2.gz DSYGTWFHFOJZBG-UREPCANASA-N 0 3 295.386 2.170 20 30 CEEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1cnc2ccc(C#N)cn12 ZINC000529668189 380183343 /nfs/dbraw/zinc/18/33/43/380183343.db2.gz DSWIRKUBKDXBOF-OVZMXSCWSA-N 0 3 284.363 2.107 20 30 CEEDHN C[C@@H](CNC(=O)C1(C#N)CC(C)C1)N1CCC[C@@H](C)C1 ZINC000532322121 380213519 /nfs/dbraw/zinc/21/35/19/380213519.db2.gz FJKFYNYMYQBGPO-RXFTYZNJSA-N 0 3 277.412 2.163 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCC(CC#N)CC1 ZINC000542853035 380318788 /nfs/dbraw/zinc/31/87/88/380318788.db2.gz FEBBNWFGPRYTRF-AWEZNQCLSA-N 0 3 292.427 2.196 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000334511431 380512310 /nfs/dbraw/zinc/51/23/10/380512310.db2.gz IHIZPNKRFSIEPR-ZIAGYGMSSA-N 0 3 279.428 2.324 20 30 CEEDHN CO[C@]1(C)C[C@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000554078173 380757083 /nfs/dbraw/zinc/75/70/83/380757083.db2.gz UXWWTKINMOBQGS-DZGCQCFKSA-N 0 3 259.353 2.246 20 30 CEEDHN C[C@@H]1CCC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000279347349 194394031 /nfs/dbraw/zinc/39/40/31/194394031.db2.gz VHBSVWWJHPMLLM-KOLCDFICSA-N 0 3 263.366 2.336 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)/C=C\c2ccn(C)c2)CC1 ZINC000493770408 381145612 /nfs/dbraw/zinc/14/56/12/381145612.db2.gz JMNHMNWLDQBZIF-PLNGDYQASA-N 0 3 287.407 2.195 20 30 CEEDHN C=CCOCCN1CCCC[C@@H]1COC(=O)NC(C)C ZINC000495662278 381180821 /nfs/dbraw/zinc/18/08/21/381180821.db2.gz RDRKZFRBXCGWLM-CQSZACIVSA-N 0 3 284.400 2.178 20 30 CEEDHN CC#CCN1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495718753 381181848 /nfs/dbraw/zinc/18/18/48/381181848.db2.gz RXUJBEKDLIYXAN-OAHLLOKOSA-N 0 3 266.385 2.246 20 30 CEEDHN C=C(CC)CN1CCC(O)(CNC(=O)OC(C)(C)C)CC1 ZINC000496048180 381195417 /nfs/dbraw/zinc/19/54/17/381195417.db2.gz WWEMOMPSMAVNJH-UHFFFAOYSA-N 0 3 298.427 2.304 20 30 CEEDHN C#CCCCN1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496345213 381207943 /nfs/dbraw/zinc/20/79/43/381207943.db2.gz MSCJXCZYUIWHJU-AWEZNQCLSA-N 0 3 296.411 2.015 20 30 CEEDHN C=CCN(C)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000496394448 381210422 /nfs/dbraw/zinc/21/04/22/381210422.db2.gz XGGARPFSQBSEDU-UHFFFAOYSA-N 0 3 254.374 2.409 20 30 CEEDHN C[C@H](CNC[C@@H](C#N)CCC#N)CNC(=O)OC(C)(C)C ZINC000496851222 381231432 /nfs/dbraw/zinc/23/14/32/381231432.db2.gz XZDTURBIHGTATF-CHWSQXEVSA-N 0 3 294.399 2.180 20 30 CEEDHN COC1([C@@H](C)NCC(=O)Nc2cccc(C#N)c2)CCC1 ZINC000412025658 533015551 /nfs/dbraw/zinc/01/55/51/533015551.db2.gz QKTDGNBJNHTTFX-GFCCVEGCSA-N 0 3 287.363 2.044 20 30 CEEDHN Cc1cc(C#N)nc(NC[C@H](c2cccs2)N(C)C)n1 ZINC000281022132 195072724 /nfs/dbraw/zinc/07/27/24/195072724.db2.gz SJHZOXGKPSSNLV-GFCCVEGCSA-N 0 3 287.392 2.433 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCCN1C ZINC000335291060 208117799 /nfs/dbraw/zinc/11/77/99/208117799.db2.gz AUHPNEQXKOOMMA-ZDUSSCGKSA-N 0 3 272.352 2.082 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000335348848 208246717 /nfs/dbraw/zinc/24/67/17/208246717.db2.gz KYMZFULLTDKFKA-NEPJUHHUSA-N 0 3 272.352 2.081 20 30 CEEDHN C[C@H](Cc1cnn(C)c1)NCc1ccc(C#N)cc1F ZINC000350562594 219035862 /nfs/dbraw/zinc/03/58/62/219035862.db2.gz VRUSNOMBYHECQX-LLVKDONJSA-N 0 3 272.327 2.152 20 30 CEEDHN C=CCCC(=O)N1C[C@H](N)[C@@H](c2ccc(F)cc2)C1 ZINC000364177968 262180486 /nfs/dbraw/zinc/18/04/86/262180486.db2.gz BXKBFYKHLXBZKG-KGLIPLIRSA-N 0 3 262.328 2.045 20 30 CEEDHN C[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)c1ncon1 ZINC000329238092 227373094 /nfs/dbraw/zinc/37/30/94/227373094.db2.gz KWRLQPNASXZRST-JQWIXIFHSA-N 0 3 278.356 2.494 20 30 CEEDHN COc1ccc2c(c1)CCC[C@H]2CNC(=O)C(C)C#N ZINC000344784338 533252045 /nfs/dbraw/zinc/25/20/45/533252045.db2.gz YSSNLWJZVCANAT-YPMHNXCESA-N 0 3 272.348 2.391 20 30 CEEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000353589169 533357191 /nfs/dbraw/zinc/35/71/91/533357191.db2.gz PEOPFQUMHXMPRJ-LLVKDONJSA-N 0 3 285.347 2.362 20 30 CEEDHN CO[C@]1(CN[C@H](C)c2cccc(C#N)c2)CCOC1 ZINC000123140698 533382151 /nfs/dbraw/zinc/38/21/51/533382151.db2.gz IHKCAQBJDNQWKA-DOMZBBRYSA-N 0 3 260.337 2.014 20 30 CEEDHN COc1cc(C)c(CN(C)C(=O)C(C)C#N)cc1OC ZINC000347062057 533568448 /nfs/dbraw/zinc/56/84/48/533568448.db2.gz GBOPXQIYLFMAJZ-LLVKDONJSA-N 0 3 276.336 2.130 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2c(C)ccn2C)CC1 ZINC000189729179 130016263 /nfs/dbraw/zinc/01/62/63/130016263.db2.gz IOISXZLPQQTRQH-UHFFFAOYSA-N 0 3 275.396 2.104 20 30 CEEDHN C=CCN1CCC(Nc2cncc(-n3ccnc3C)n2)CC1 ZINC000301839244 394466118 /nfs/dbraw/zinc/46/61/18/394466118.db2.gz ZNRBBWCEPDLNOT-UHFFFAOYSA-N 0 3 298.394 2.033 20 30 CEEDHN C[C@@H]1CCCCN1CCNc1ncc(C#N)cc1F ZINC000413055475 394476336 /nfs/dbraw/zinc/47/63/36/394476336.db2.gz ATJKWDYHRISYPV-LLVKDONJSA-N 0 3 262.332 2.379 20 30 CEEDHN C[C@H]1CCCN(CCNc2ncc(C#N)cc2F)C1 ZINC000413062148 394476982 /nfs/dbraw/zinc/47/69/82/394476982.db2.gz QRWVEMWFBSUCAB-NSHDSACASA-N 0 3 262.332 2.236 20 30 CEEDHN COc1cc(CNCCCCC#N)c([N+](=O)[O-])cc1OC ZINC000237138996 394491086 /nfs/dbraw/zinc/49/10/86/394491086.db2.gz FWOIUWHMDTYKIW-UHFFFAOYSA-N 0 3 293.323 2.395 20 30 CEEDHN COc1ccc(CNCCCCC#N)c(OC)c1OC ZINC000237237950 394491238 /nfs/dbraw/zinc/49/12/38/394491238.db2.gz HRNGKZHHLDIJJN-UHFFFAOYSA-N 0 3 278.352 2.496 20 30 CEEDHN CC[C@@H]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000246218024 394511780 /nfs/dbraw/zinc/51/17/80/394511780.db2.gz KZMHXWVXWVJTGP-CJNGLKHVSA-N 0 3 283.375 2.395 20 30 CEEDHN O=C(NC[C@H]1CCCCN1C1CC1)[C@@H]1CCC(=O)NC1 ZINC000329890602 394592409 /nfs/dbraw/zinc/59/24/09/394592409.db2.gz GNHFTAIWBLADFL-DGCLKSJQSA-N 0 3 279.384 2.326 20 30 CEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCn3cncc3C2)C1 ZINC000328977353 394558834 /nfs/dbraw/zinc/55/88/34/394558834.db2.gz WRJBYAIALQQJDJ-IPYPFGDCSA-N 0 3 290.411 2.131 20 30 CEEDHN Cc1cnc(NC(=O)N2C[C@H](N3CCCC3)C[C@H]2C)o1 ZINC000329416348 394562308 /nfs/dbraw/zinc/56/23/08/394562308.db2.gz DCLBGTPIFHJIOD-ZYHUDNBSSA-N 0 3 278.356 2.087 20 30 CEEDHN C[C@H](CC1CC1)[NH+]=C([O-])NC[C@@H]1CCc2nccn2C1 ZINC000329901099 394593275 /nfs/dbraw/zinc/59/32/75/394593275.db2.gz OHRZQWDQMUYXCP-YPMHNXCESA-N 0 3 276.384 2.138 20 30 CEEDHN Cc1nc(C)c(C(=O)N[C@@H](C)C2=CCN(C)CC2)nc1C ZINC000329646700 394579482 /nfs/dbraw/zinc/57/94/82/394579482.db2.gz ZXYMMLOXOGCTLK-LBPRGKRZSA-N 0 3 288.395 2.357 20 30 CEEDHN C[C@H]1CN(c2ncc(C#N)cc2F)CCN(C2CCC2)C1 ZINC000413302171 394521936 /nfs/dbraw/zinc/52/19/36/394521936.db2.gz LZIFXGIMXRTDPE-GFCCVEGCSA-N 0 3 288.370 2.403 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000248703697 394545652 /nfs/dbraw/zinc/54/56/52/394545652.db2.gz ANPAPXVZQDNWGC-YCPHGPKFSA-N 0 3 298.390 2.249 20 30 CEEDHN CCn1ccc(CNC(=O)C(C#N)CCc2ccccc2)n1 ZINC000413881062 394656121 /nfs/dbraw/zinc/65/61/21/394656121.db2.gz NAIOBZIRBGUYCA-OAHLLOKOSA-N 0 3 296.374 2.292 20 30 CEEDHN CN(C)CCOc1ccc(NC(=O)C(C)(C)C#N)c(F)c1 ZINC000413903403 394658531 /nfs/dbraw/zinc/65/85/31/394658531.db2.gz QPWJLEWZDBRFDF-UHFFFAOYSA-N 0 3 293.342 2.254 20 30 CEEDHN C[C@H]1CCN(C)CCN1C(=O)Nc1ccc(CC#N)cc1 ZINC000334213941 394664604 /nfs/dbraw/zinc/66/46/04/394664604.db2.gz BCXUCVFSZNSLBG-ZDUSSCGKSA-N 0 3 286.379 2.311 20 30 CEEDHN CCn1nc(C)c(C(=O)N[C@@H]2CCCN(CC)C2)c1C ZINC000330435811 394608942 /nfs/dbraw/zinc/60/89/42/394608942.db2.gz AQQUWOJXHJPYRR-CYBMUJFWSA-N 0 3 278.400 2.309 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)NCc2cccc(OC)c2)C1 ZINC000330470294 394613519 /nfs/dbraw/zinc/61/35/19/394613519.db2.gz ANQWEAZKGBBBPW-CQSZACIVSA-N 0 3 291.395 2.183 20 30 CEEDHN CCN1CCC[C@H](NC(=O)c2cn(C)nc2C(C)C)C1 ZINC000330538245 394617671 /nfs/dbraw/zinc/61/76/71/394617671.db2.gz LEYZAWQZJZERRQ-LBPRGKRZSA-N 0 3 278.400 2.332 20 30 CEEDHN C[C@H]1CN(Cc2ccc(CC#N)cc2)[C@@H](C)CN1C ZINC000334414257 394683347 /nfs/dbraw/zinc/68/33/47/394683347.db2.gz MYVKCENWXKDTEE-KBPBESRZSA-N 0 3 257.381 2.277 20 30 CEEDHN CC(C#N)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000334430270 394684904 /nfs/dbraw/zinc/68/49/04/394684904.db2.gz ZYGYAZOKPSXNIO-LBPRGKRZSA-N 0 3 265.316 2.334 20 30 CEEDHN CC(C#N)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000334457727 394687619 /nfs/dbraw/zinc/68/76/19/394687619.db2.gz IYUKDTHVTXIWEJ-VIFPVBQESA-N 0 3 259.334 2.414 20 30 CEEDHN C[C@H]1CCCN(CCNc2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000268520008 394696134 /nfs/dbraw/zinc/69/61/34/394696134.db2.gz USPFENIKNHACIR-NSHDSACASA-N 0 3 289.339 2.005 20 30 CEEDHN C=CC[C@@H](Cc1ccccc1)NCc1cn(C)nn1 ZINC000414531197 394746105 /nfs/dbraw/zinc/74/61/05/394746105.db2.gz FYBKBPCMASLUTG-AWEZNQCLSA-N 0 3 256.353 2.092 20 30 CEEDHN C#CCOc1ccccc1CN(C)C[C@@H]1CCOC1 ZINC000106861302 394725485 /nfs/dbraw/zinc/72/54/85/394725485.db2.gz RTECOXLYAPJRJC-AWEZNQCLSA-N 0 3 259.349 2.167 20 30 CEEDHN CCN(CCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000271256855 394753902 /nfs/dbraw/zinc/75/39/02/394753902.db2.gz ITZKBMPXKSWWKO-MRXNPFEDSA-N 0 3 257.381 2.496 20 30 CEEDHN Cc1nc([C@@H]2CCCN(Cc3ccc(C#N)s3)C2)n[nH]1 ZINC000271386372 394756277 /nfs/dbraw/zinc/75/62/77/394756277.db2.gz SGOYROOWPWHESH-LLVKDONJSA-N 0 3 287.392 2.426 20 30 CEEDHN Cc1n[nH]c([C@@H]2CCCN(Cc3ccc(C#N)s3)C2)n1 ZINC000271386372 394756278 /nfs/dbraw/zinc/75/62/78/394756278.db2.gz SGOYROOWPWHESH-LLVKDONJSA-N 0 3 287.392 2.426 20 30 CEEDHN Cc1nnc([C@@H]2CCCN(Cc3ccc(C#N)s3)C2)[nH]1 ZINC000271386372 394756282 /nfs/dbraw/zinc/75/62/82/394756282.db2.gz SGOYROOWPWHESH-LLVKDONJSA-N 0 3 287.392 2.426 20 30 CEEDHN C=CCOCC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000359537504 394760703 /nfs/dbraw/zinc/76/07/03/394760703.db2.gz AEFFMFPJXDBLMD-STQMWFEESA-N 0 3 280.368 2.028 20 30 CEEDHN CC(C)N1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2)CC1=O ZINC000271868213 394765376 /nfs/dbraw/zinc/76/53/76/394765376.db2.gz LZGDFBLMQZRMLL-WFASDCNBSA-N 0 3 271.364 2.218 20 30 CEEDHN C=CCn1c(SCCN(C)C)nnc1-c1cccnc1 ZINC000123061996 394822968 /nfs/dbraw/zinc/82/29/68/394822968.db2.gz JSKNKDOWJPKZAU-UHFFFAOYSA-N 0 3 289.408 2.180 20 30 CEEDHN CN(C)Cc1ccc(C(=O)NCC(C)(C)C#N)cc1 ZINC000359633198 394766918 /nfs/dbraw/zinc/76/69/18/394766918.db2.gz JHBQGUVDHDFHSP-UHFFFAOYSA-N 0 3 259.353 2.028 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000119899465 394772922 /nfs/dbraw/zinc/77/29/22/394772922.db2.gz BLIBHDQLQGEDGS-GJZGRUSLSA-N 0 3 280.412 2.054 20 30 CEEDHN CC[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)N(CC)CC ZINC000359857879 394777988 /nfs/dbraw/zinc/77/79/88/394777988.db2.gz MTNUBNGONHTECD-NWDGAFQWSA-N 0 3 253.390 2.161 20 30 CEEDHN Cn1c2ccccc2cc(CN[C@@H]2CC[C@H](C#N)C2)c1=O ZINC000335681744 394787994 /nfs/dbraw/zinc/78/79/94/394787994.db2.gz YQRIVZWFIDNOSE-SWLSCSKDSA-N 0 3 281.359 2.320 20 30 CEEDHN CCN(CC)CCCNC=C1C(=O)CC(C)(C)CC1=O ZINC000121012068 394790775 /nfs/dbraw/zinc/79/07/75/394790775.db2.gz MCARJYADBHZMIL-UHFFFAOYSA-N 0 3 280.412 2.150 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(C#N)CC1 ZINC000335719622 394793041 /nfs/dbraw/zinc/79/30/41/394793041.db2.gz FVNKCQCVLWOYEK-KBPBESRZSA-N 0 3 292.427 2.194 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(C)C1CCC(OC)CC1 ZINC000360305601 394796462 /nfs/dbraw/zinc/79/64/62/394796462.db2.gz VVSOFNFMDMNMLC-UHFFFAOYSA-N 0 3 282.428 2.300 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000360682506 394805682 /nfs/dbraw/zinc/80/56/82/394805682.db2.gz UWWJSTIDGZAYGW-GOEBONIOSA-N 0 3 277.412 2.261 20 30 CEEDHN C=CCN(CCOC)C(=O)[C@H](C(C)C)N1CCCCC1 ZINC000361092513 394816197 /nfs/dbraw/zinc/81/61/97/394816197.db2.gz JXHBOUDZBOLBDU-HNNXBMFYSA-N 0 3 282.428 2.158 20 30 CEEDHN CC#CCCN1CCC2(C[C@H]2C(=O)N(C)C2CC2)CC1 ZINC000363787500 394885218 /nfs/dbraw/zinc/88/52/18/394885218.db2.gz JGVSBDHHECNIQA-HNNXBMFYSA-N 0 3 274.408 2.123 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000336213391 394834008 /nfs/dbraw/zinc/83/40/08/394834008.db2.gz LFTNVLXVCOZULG-RHSMWYFYSA-N 0 3 289.423 2.261 20 30 CEEDHN CC(C)N1CCC[C@H](N2CCC(CC#N)CC2)C1=O ZINC000336355626 394846413 /nfs/dbraw/zinc/84/64/13/394846413.db2.gz RTRKVSNEBOXZFF-AWEZNQCLSA-N 0 3 263.385 2.011 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(CCOC)[C@H]1CC[C@@H](C)C1 ZINC000362159140 394847015 /nfs/dbraw/zinc/84/70/15/394847015.db2.gz UPZWJHUPCSTLBJ-CVEARBPZSA-N 0 3 294.439 2.324 20 30 CEEDHN CC(C)[C@H](CO)NCC#Cc1ccccc1Cl ZINC000362190342 394849026 /nfs/dbraw/zinc/84/90/26/394849026.db2.gz MACVRQXLRLTHQA-AWEZNQCLSA-N 0 3 251.757 2.298 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H]1CCN(C(C)C)C1=O ZINC000285213141 394954323 /nfs/dbraw/zinc/95/43/23/394954323.db2.gz UJDQYLFRPSUXDN-DLBZAZTESA-N 0 3 284.403 2.220 20 30 CEEDHN CC#CCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282120117 394909625 /nfs/dbraw/zinc/90/96/25/394909625.db2.gz QOYVLLWTUCTEBQ-CQSZACIVSA-N 0 3 257.381 2.422 20 30 CEEDHN C=C(C)CCN1[C@@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000338361680 394917648 /nfs/dbraw/zinc/91/76/48/394917648.db2.gz RWCDJEIWWUECEM-MQYQWHSLSA-N 0 3 267.369 2.136 20 30 CEEDHN C=CCOCCN1CC[C@]2(C1)OCc1ccccc12 ZINC000339096704 394942939 /nfs/dbraw/zinc/94/29/39/394942939.db2.gz PMCVHOBSCFQFIJ-MRXNPFEDSA-N 0 3 259.349 2.320 20 30 CEEDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCCC#N)[C@@H]2C1 ZINC000366381573 394943597 /nfs/dbraw/zinc/94/35/97/394943597.db2.gz VPCQDTYSVJBQOW-QWHCGFSZSA-N 0 3 279.384 2.231 20 30 CEEDHN C=CCOCCN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000339200035 394950264 /nfs/dbraw/zinc/95/02/64/394950264.db2.gz GBEIJYDTGWSRDH-ZIAGYGMSSA-N 0 3 251.370 2.223 20 30 CEEDHN C=CCC[C@H](NC[C@@H](O)c1cnn(C)c1)c1ccco1 ZINC000286073686 395008573 /nfs/dbraw/zinc/00/85/73/395008573.db2.gz LZQOHIXZEZSUHI-UONOGXRCSA-N 0 3 275.352 2.344 20 30 CEEDHN CC#CCCN1CCC(c2nnc3ccccn32)CC1 ZINC000155680636 395029121 /nfs/dbraw/zinc/02/91/21/395029121.db2.gz CHBXMKFCWPUZRY-UHFFFAOYSA-N 0 3 268.364 2.322 20 30 CEEDHN Cn1cc(C[C@@H]2CCN(CC#Cc3ccc(F)cc3)C2)cn1 ZINC000154220694 395021128 /nfs/dbraw/zinc/02/11/28/395021128.db2.gz CHRNPMWPGGTMQZ-INIZCTEOSA-N 0 3 297.377 2.475 20 30 CEEDHN C=CCCCN1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000286447141 395022158 /nfs/dbraw/zinc/02/21/58/395022158.db2.gz JPUIMKYYQQZAID-NSHDSACASA-N 0 3 265.275 2.380 20 30 CEEDHN CC#CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000135955379 394968555 /nfs/dbraw/zinc/96/85/55/394968555.db2.gz NEETVSSSTLRYKW-INIZCTEOSA-N 0 3 299.418 2.316 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000344475259 395055257 /nfs/dbraw/zinc/05/52/57/395055257.db2.gz MRJAHWOKNHGMFQ-BARDWOONSA-N 0 3 296.455 2.449 20 30 CEEDHN Cc1nc(N2CCC[C@H]3CN(C)C[C@H]32)c(Cl)cc1C#N ZINC000425287930 395056558 /nfs/dbraw/zinc/05/65/58/395056558.db2.gz SGHQIZRDWSDUTP-SMDDNHRTSA-N 0 3 290.798 2.446 20 30 CEEDHN C#CCN(C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000288309214 395057433 /nfs/dbraw/zinc/05/74/33/395057433.db2.gz XGLTYKILMSLOPS-YOEHRIQHSA-N 0 3 299.418 2.485 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000345692519 395073240 /nfs/dbraw/zinc/07/32/40/395073240.db2.gz PABVVDQQANBUMC-MRVPVSSYSA-N 0 3 260.215 2.330 20 30 CEEDHN CC[C@H](NC(=O)C(C)C#N)c1ccc2c(c1)OCCO2 ZINC000345767179 395076134 /nfs/dbraw/zinc/07/61/34/395076134.db2.gz QHFKIQUHKSJWPT-JQWIXIFHSA-N 0 3 274.320 2.185 20 30 CEEDHN N#CC1(c2ccccn2)CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000374296625 395079798 /nfs/dbraw/zinc/07/97/98/395079798.db2.gz WZCFQQWGUDYGDJ-LSDHHAIUSA-N 0 3 285.391 2.242 20 30 CEEDHN C#C[C@@H](NCc1cc(OC)c(OC)c(OC)c1)C(C)C ZINC000289571718 395080010 /nfs/dbraw/zinc/08/00/10/395080010.db2.gz SNNGGSKPQFYQHG-CYBMUJFWSA-N 0 3 277.364 2.460 20 30 CEEDHN CC(C)(C#N)CCN1CCCN(CC(F)F)CC1 ZINC000345957906 395083969 /nfs/dbraw/zinc/08/39/69/395083969.db2.gz WEORWAAZOMVLGK-UHFFFAOYSA-N 0 3 259.344 2.199 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCO[C@H]2C(=C)C)CC1 ZINC000346000486 395084410 /nfs/dbraw/zinc/08/44/10/395084410.db2.gz OQCLZIZRVOOEJV-CVEARBPZSA-N 0 3 292.423 2.124 20 30 CEEDHN C=C[C@H](CO)N[C@H](C)CC(=O)Nc1cccc(C)c1C ZINC000289817492 395087953 /nfs/dbraw/zinc/08/79/53/395087953.db2.gz OTRCRBKPBGFHPV-TZMCWYRMSA-N 0 3 276.380 2.157 20 30 CEEDHN C=C[C@@H](CO)N[C@H](C)Cc1ccccc1SC ZINC000289811210 395088420 /nfs/dbraw/zinc/08/84/20/395088420.db2.gz ONRNZHYKYZBZGW-YPMHNXCESA-N 0 3 251.395 2.476 20 30 CEEDHN C=C[C@H](CO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000289904324 395090713 /nfs/dbraw/zinc/09/07/13/395090713.db2.gz UCUPUYLABYXXAO-RISCZKNCSA-N 0 3 262.309 2.109 20 30 CEEDHN C=C[C@H](CO)N[C@H](C)CC(=O)Nc1ccccc1CC ZINC000289935726 395091719 /nfs/dbraw/zinc/09/17/19/395091719.db2.gz VRVFIMBAQBZYRK-TZMCWYRMSA-N 0 3 276.380 2.103 20 30 CEEDHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1ccc(C#N)cn1 ZINC000171634336 395095825 /nfs/dbraw/zinc/09/58/25/395095825.db2.gz PCKOIVKARZUOCP-ZUZCIYMTSA-N 0 3 295.298 2.120 20 30 CEEDHN C[C@@H]1CN(C2CCN(CCC(C)(C)C#N)CC2)CCO1 ZINC000157967350 395035919 /nfs/dbraw/zinc/03/59/19/395035919.db2.gz YUVYFWSGXQMEHH-CQSZACIVSA-N 0 3 279.428 2.111 20 30 CEEDHN N#CCc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000372292067 395038777 /nfs/dbraw/zinc/03/87/77/395038777.db2.gz VZPAFZILNAIWSF-MRXNPFEDSA-N 0 3 283.375 2.063 20 30 CEEDHN C[C@H]1[C@@H](Nc2nc3ccccn3c2C#N)CCCN1C ZINC000343448826 395038927 /nfs/dbraw/zinc/03/89/27/395038927.db2.gz CBLKNCROTRPUGL-RYUDHWBXSA-N 0 3 269.352 2.101 20 30 CEEDHN C=C(CNC(=O)NCC1(N(C)C)CCC1)c1ccccc1 ZINC000287781380 395045795 /nfs/dbraw/zinc/04/57/95/395045795.db2.gz SDKFDWVUGUDHDQ-UHFFFAOYSA-N 0 3 287.407 2.483 20 30 CEEDHN C=CCCCN(C)[C@H](C)C(=O)N(CC=C)CC=C ZINC000346956051 395115172 /nfs/dbraw/zinc/11/51/72/395115172.db2.gz CBGFZMLQBOQXJR-CQSZACIVSA-N 0 3 250.386 2.474 20 30 CEEDHN C=CCCCC(=O)NC[C@H]1NCCc2ccccc21 ZINC000375953476 395106258 /nfs/dbraw/zinc/10/62/58/395106258.db2.gz JIWBDJYYUPPNSN-OAHLLOKOSA-N 0 3 258.365 2.346 20 30 CEEDHN C#Cc1ccc(CN[C@@H]2C[C@H](OCC)[C@@]23CCCO3)cc1 ZINC000290537067 395107374 /nfs/dbraw/zinc/10/73/74/395107374.db2.gz YNNLBBHYBVKLBS-FGTMMUONSA-N 0 3 285.387 2.484 20 30 CEEDHN CCCCN(CCCC)CC(=O)NC1(C#N)CCC1 ZINC000346874227 395112376 /nfs/dbraw/zinc/11/23/76/395112376.db2.gz SZCHFYBIULPIJO-UHFFFAOYSA-N 0 3 265.401 2.451 20 30 CEEDHN CNC(=O)[C@@H]1CCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000348187747 395137998 /nfs/dbraw/zinc/13/79/98/395137998.db2.gz SSSVXBBGAXRMOX-HUUCEWRRSA-N 0 3 290.794 2.196 20 30 CEEDHN C[C@@H](CNC(=O)c1ccc(C#N)o1)N1CCCC[C@H]1C ZINC000428167278 395140556 /nfs/dbraw/zinc/14/05/56/395140556.db2.gz VDDGIQYRZSCCKG-NEPJUHHUSA-N 0 3 275.352 2.144 20 30 CEEDHN CCCN1CCCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000377669926 395141064 /nfs/dbraw/zinc/14/10/64/395141064.db2.gz QAVUTNLHXGIZMQ-UHFFFAOYSA-N 0 3 284.407 2.364 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000348437769 395144627 /nfs/dbraw/zinc/14/46/27/395144627.db2.gz FPGQTWUMDKLHTH-ZNMIVQPWSA-N 0 3 294.439 2.395 20 30 CEEDHN COC(=O)N1CCC[C@H]([C@@H](C)NCc2ccc(C#N)o2)C1 ZINC000495536727 395150254 /nfs/dbraw/zinc/15/02/54/395150254.db2.gz BWTWSSYNKIUTSS-NEPJUHHUSA-N 0 3 291.351 2.108 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CCO)C2CCCCC2)nc1 ZINC000514916644 395172692 /nfs/dbraw/zinc/17/26/92/395172692.db2.gz QRHMRKZOEGCHQI-INIZCTEOSA-N 0 3 273.380 2.374 20 30 CEEDHN C=CCCCN[C@@](C)(CC(=O)OC)c1ccccn1 ZINC000351820532 395236596 /nfs/dbraw/zinc/23/65/96/395236596.db2.gz DTVBRUQOHUZXCQ-HNNXBMFYSA-N 0 3 262.353 2.416 20 30 CEEDHN C[C@H](NCCCSCC#N)c1nnc2ccccn21 ZINC000182666033 395246203 /nfs/dbraw/zinc/24/62/03/395246203.db2.gz YPYMVZLKHMJBQJ-NSHDSACASA-N 0 3 275.381 2.027 20 30 CEEDHN C#CCNC(=O)CCNC1(c2cccc(Cl)c2)CC1 ZINC000293864266 395254784 /nfs/dbraw/zinc/25/47/84/395254784.db2.gz SEBWLYWQISPGFK-UHFFFAOYSA-N 0 3 276.767 2.058 20 30 CEEDHN Cc1cc(C#N)cc(NC[C@@H]2CCN2C2CCCC2)n1 ZINC000528209086 395287185 /nfs/dbraw/zinc/28/71/85/395287185.db2.gz HPLNDQGXTRHJDQ-HNNXBMFYSA-N 0 3 270.380 2.112 20 30 CEEDHN COC(=O)N1CCC([C@H](C)NCc2ccc(C#N)o2)CC1 ZINC000186363086 395290205 /nfs/dbraw/zinc/29/02/05/395290205.db2.gz XFWRZLNQWPBNAK-NSHDSACASA-N 0 3 291.351 2.108 20 30 CEEDHN CO[C@H](C)CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000528778735 395295064 /nfs/dbraw/zinc/29/50/64/395295064.db2.gz MEDXHZKCQNVZNQ-CYBMUJFWSA-N 0 3 274.364 2.188 20 30 CEEDHN COC[C@@](C)(CCO)NCCC1(C#N)CCCCC1 ZINC000411335302 395326829 /nfs/dbraw/zinc/32/68/29/395326829.db2.gz QBBXJSXJMHRKQY-CQSZACIVSA-N 0 3 268.401 2.228 20 30 CEEDHN CCN(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000188474860 395315850 /nfs/dbraw/zinc/31/58/50/395315850.db2.gz UWYCQNPBLQSJMU-CHWSQXEVSA-N 0 3 289.379 2.106 20 30 CEEDHN CC(C#N)C(=O)NCCc1cn(C)c2cc(F)ccc12 ZINC000354113902 395316194 /nfs/dbraw/zinc/31/61/94/395316194.db2.gz AIZQHUBOCSOMSP-SNVBAGLBSA-N 0 3 273.311 2.136 20 30 CEEDHN CC#CCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000354179719 395318866 /nfs/dbraw/zinc/31/88/66/395318866.db2.gz OQJVYIBHNWTBTD-UHFFFAOYSA-N 0 3 298.346 2.498 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCC(C)(C)CCC#N ZINC000354177637 395319761 /nfs/dbraw/zinc/31/97/61/395319761.db2.gz HVCBOSFOWOOOSP-TZMCWYRMSA-N 0 3 292.427 2.098 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000352457527 395255623 /nfs/dbraw/zinc/25/56/23/395255623.db2.gz WFSPEDYRZJXYDD-ZFWWWQNUSA-N 0 3 252.402 2.389 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1c(F)cccc1SC ZINC000293947094 395259329 /nfs/dbraw/zinc/25/93/29/395259329.db2.gz JROXRWFUGDRHHF-UHFFFAOYSA-N 0 3 294.395 2.233 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cccc(Cl)c1F ZINC000293958734 395260248 /nfs/dbraw/zinc/26/02/48/395260248.db2.gz KTQIGYANQZCTLY-UHFFFAOYSA-N 0 3 282.746 2.164 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCCC[C@@H]2C(N)=O)c(Cl)c1 ZINC000439430594 395264886 /nfs/dbraw/zinc/26/48/86/395264886.db2.gz MKHSWNRXTSBFNB-JSGCOSHPSA-N 0 3 291.782 2.345 20 30 CEEDHN Cc1cc(N(C)C[C@H]2CCCN2C)c(C#N)cc1[N+](=O)[O-] ZINC000420639524 395397857 /nfs/dbraw/zinc/39/78/57/395397857.db2.gz ROJCLNAZQNYREJ-CYBMUJFWSA-N 0 3 288.351 2.305 20 30 CEEDHN CCN1CC[C@H](NC(=O)c2cccc(SCC#N)c2)C1 ZINC000412834053 395366991 /nfs/dbraw/zinc/36/69/91/395366991.db2.gz FZPYSFJGOWGPPJ-ZDUSSCGKSA-N 0 3 289.404 2.126 20 30 CEEDHN N#CC(C(=O)c1ccc(-n2cccn2)cc1)c1ccncn1 ZINC000354403304 395329854 /nfs/dbraw/zinc/32/98/54/395329854.db2.gz GYQQZUZVIKXGIS-AWEZNQCLSA-N 0 3 289.298 2.152 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1cccc(C(=O)OC)c1 ZINC000411638336 395333845 /nfs/dbraw/zinc/33/38/45/395333845.db2.gz HEFINJNKTHQBCC-UHFFFAOYSA-N 0 3 290.407 2.413 20 30 CEEDHN COc1ccc(C(=O)C(C#N)c2ccncn2)cc1F ZINC000354460043 395334580 /nfs/dbraw/zinc/33/45/80/395334580.db2.gz FJQINASIIBLCCJ-SNVBAGLBSA-N 0 3 271.251 2.114 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(=O)OCC)cn1 ZINC000411791003 395338988 /nfs/dbraw/zinc/33/89/88/395338988.db2.gz PFVXTNQLBBMGFF-CABCVRRESA-N 0 3 290.363 2.082 20 30 CEEDHN CCN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC(C)(C)C1 ZINC000412035612 395344693 /nfs/dbraw/zinc/34/46/93/395344693.db2.gz LCFZXBLHVUYQBK-INIZCTEOSA-N 0 3 277.412 2.305 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)[C@@H](C)CN1CCOCC1 ZINC000298055274 395351244 /nfs/dbraw/zinc/35/12/44/395351244.db2.gz IGSSQVIXYFVNBN-INIZCTEOSA-N 0 3 299.418 2.267 20 30 CEEDHN Cc1cc(CNCCNC(=O)c2ccccc2)ccc1C#N ZINC000443956470 395406656 /nfs/dbraw/zinc/40/66/56/395406656.db2.gz GUXNPLSGISNYHH-UHFFFAOYSA-N 0 3 293.370 2.386 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CCO[C@H]2CCN(CC)C[C@@H]21 ZINC000355327469 395413293 /nfs/dbraw/zinc/41/32/93/395413293.db2.gz CRLYWSPXZYUXBS-HOTGVXAUSA-N 0 3 292.423 2.076 20 30 CEEDHN N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2C2CCCCC2)c1 ZINC000529724108 395440353 /nfs/dbraw/zinc/44/03/53/395440353.db2.gz WNBMAOIIUXJUQD-CQSZACIVSA-N 0 3 286.379 2.023 20 30 CEEDHN CCC(C)(C)N1CCN(c2ncccc2C#N)CC1 ZINC000205356398 395472842 /nfs/dbraw/zinc/47/28/42/395472842.db2.gz AAQZIDWMSZIZNN-UHFFFAOYSA-N 0 3 258.369 2.264 20 30 CEEDHN C=CCOc1ccc(C(=O)N[C@H]2CCCN(CC)C2)cc1 ZINC000194654885 395444854 /nfs/dbraw/zinc/44/48/54/395444854.db2.gz IXFDDUBGBAOTHB-HNNXBMFYSA-N 0 3 288.391 2.466 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000448699690 395531904 /nfs/dbraw/zinc/53/19/04/395531904.db2.gz VAPGATGZMCNIKO-NWDGAFQWSA-N 0 3 288.395 2.188 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000448812786 395541551 /nfs/dbraw/zinc/54/15/51/395541551.db2.gz OVVHOMLZYSPUDL-LBPRGKRZSA-N 0 3 288.395 2.045 20 30 CEEDHN C=CCCCNC(=O)N1CCc2ccccc2[C@H]1CN ZINC000573322218 395605481 /nfs/dbraw/zinc/60/54/81/395605481.db2.gz VMUXMRXWWPAKQL-OAHLLOKOSA-N 0 3 273.380 2.220 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C)[C@@H](C)[C@H]1C ZINC000573549348 395610452 /nfs/dbraw/zinc/61/04/52/395610452.db2.gz UKXYTTGIUJFRIZ-BFHYXJOUSA-N 0 3 252.402 2.387 20 30 CEEDHN CC[C@@H]1CN(CC)CCN1Cc1ccc(OC)c(C#N)c1 ZINC000449567491 395555493 /nfs/dbraw/zinc/55/54/93/395555493.db2.gz WHMMNKTYPPGAOZ-MRXNPFEDSA-N 0 3 287.407 2.483 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)NCC1CCCCC1 ZINC000568720724 395568024 /nfs/dbraw/zinc/56/80/24/395568024.db2.gz PGWADOWAJJMNNA-YUELXQCFSA-N 0 3 280.412 2.005 20 30 CEEDHN CC[C@H](CSC)N(C)Cc1cc(C#N)n(C)c1 ZINC000569156040 395573732 /nfs/dbraw/zinc/57/37/32/395573732.db2.gz PLLWWCFKQLLREQ-GFCCVEGCSA-N 0 3 251.399 2.470 20 30 CEEDHN N#Cc1ccc(OCCN2CCC[C@]3(CCOC3)C2)cc1 ZINC000451903495 395625952 /nfs/dbraw/zinc/62/59/52/395625952.db2.gz QHHXLKHNAXBMHH-KRWDZBQOSA-N 0 3 286.375 2.440 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC(C)(C)CN1CCCC1 ZINC000457059070 395634568 /nfs/dbraw/zinc/63/45/68/395634568.db2.gz WQPIJDPFYORQCH-UHFFFAOYSA-N 0 3 275.352 2.064 20 30 CEEDHN CC1(C)CCCN1CCNC(=O)c1cccc(C#N)c1 ZINC000457081299 395634687 /nfs/dbraw/zinc/63/46/87/395634687.db2.gz VHFASEWRLTWMAT-UHFFFAOYSA-N 0 3 271.364 2.162 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000459462154 395666091 /nfs/dbraw/zinc/66/60/91/395666091.db2.gz KDPAQOJOKCYUMB-ZIAGYGMSSA-N 0 3 287.407 2.481 20 30 CEEDHN C[C@@H](CN(C)Cc1cc(C#N)n(C)c1)C(=O)OC(C)(C)C ZINC000459771427 395666779 /nfs/dbraw/zinc/66/67/79/395666779.db2.gz NMEPQKKKIUKCDZ-LBPRGKRZSA-N 0 3 291.395 2.306 20 30 CEEDHN C[C@@H]1C[C@@H]1CN1CCN(c2ccccc2C#N)CC1 ZINC000488302771 395668304 /nfs/dbraw/zinc/66/83/04/395668304.db2.gz VVNMAYBICMLTJU-UKRRQHHQSA-N 0 3 255.365 2.336 20 30 CEEDHN COCCN(Cc1ccc(C#N)c(C)c1)[C@H]1CCOC1 ZINC000490039807 395668893 /nfs/dbraw/zinc/66/88/93/395668893.db2.gz JYWXPPXSSBYGLL-INIZCTEOSA-N 0 3 274.364 2.104 20 30 CEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C\C1CC1 ZINC000491906115 395670820 /nfs/dbraw/zinc/67/08/20/395670820.db2.gz GGNCTTHDMDIXCR-HJWRWDBZSA-N 0 3 297.402 2.415 20 30 CEEDHN CC#CCN1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000648021547 395808733 /nfs/dbraw/zinc/80/87/33/395808733.db2.gz ULHLEBLTRWNBPT-UHFFFAOYSA-N 0 3 258.369 2.362 20 30 CEEDHN C=C(C)[C@H](CO)N1CCCc2cc(OC)ccc2C1 ZINC000649285266 396112780 /nfs/dbraw/zinc/11/27/80/396112780.db2.gz PRLJYWQROUIDKU-INIZCTEOSA-N 0 3 261.365 2.380 20 30 CEEDHN C=CCOCCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000649358494 396128272 /nfs/dbraw/zinc/12/82/72/396128272.db2.gz WVWCPWFQFTZZCS-HNNXBMFYSA-N 0 3 280.412 2.102 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(F)(c2ccccn2)CC1 ZINC000649562239 396189776 /nfs/dbraw/zinc/18/97/76/396189776.db2.gz GIZXMIXTODRSGB-CYBMUJFWSA-N 0 3 264.344 2.279 20 30 CEEDHN CC#CCCCC(=O)N1CCCN(C)C[C@@H]1CC ZINC000646050487 396278448 /nfs/dbraw/zinc/27/84/48/396278448.db2.gz WJIMISNCTLXHCO-AWEZNQCLSA-N 0 3 250.386 2.123 20 30 CEEDHN C=CCOc1ccccc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000646924448 396392162 /nfs/dbraw/zinc/39/21/62/396392162.db2.gz IIRLWOOZBPJKGF-ZFWWWQNUSA-N 0 3 286.375 2.028 20 30 CEEDHN C=CCNC(=O)CN[C@@H](C)C(C)(C)c1ccccc1 ZINC000181782787 400289964 /nfs/dbraw/zinc/28/99/64/400289964.db2.gz DOCORGXLBUAEMM-ZDUSSCGKSA-N 0 3 260.381 2.245 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000334240647 400346689 /nfs/dbraw/zinc/34/66/89/400346689.db2.gz VTKBFXZWBGTDDE-GWCFXTLKSA-N 0 3 278.739 2.479 20 30 CEEDHN C=C(C)[C@H](CC(=O)N[C@@H](C)CN1CCCCC1)OCC ZINC000339422326 400363563 /nfs/dbraw/zinc/36/35/63/400363563.db2.gz KDGGDNXMDUWFSZ-GJZGRUSLSA-N 0 3 282.428 2.348 20 30 CEEDHN C[C@@H](CCO)N(C)CC#Cc1ccc(Cl)cc1 ZINC000649867798 400733528 /nfs/dbraw/zinc/73/35/28/400733528.db2.gz RZJNJMWMKXRITD-LBPRGKRZSA-N 0 3 251.757 2.394 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)c1cccc(C#N)c1 ZINC000360337615 155274157 /nfs/dbraw/zinc/27/41/57/155274157.db2.gz WJIZNRRFQRZTBI-HEHGZKQESA-N 0 3 297.402 2.403 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H]1COCCO1 ZINC000360648410 155343485 /nfs/dbraw/zinc/34/34/85/155343485.db2.gz QDDRIMPTNOZWFY-WBVHZDCISA-N 0 3 286.375 2.331 20 30 CEEDHN CO[C@]1(C)CCCN(CCOc2cccc(C#N)c2)C1 ZINC000230264932 153385703 /nfs/dbraw/zinc/38/57/03/153385703.db2.gz PWXWAXGSPAKNNB-MRXNPFEDSA-N 0 3 274.364 2.438 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@H](c3nc[nH]n3)C2)c1F ZINC000332371037 154220426 /nfs/dbraw/zinc/22/04/26/154220426.db2.gz WSDUWCRDNKYFNF-ZDUSSCGKSA-N 0 3 285.326 2.195 20 30 CEEDHN COCC[C@@H](Cc1ccco1)NCc1cc(C#N)n(C)c1 ZINC000359673692 155106801 /nfs/dbraw/zinc/10/68/01/155106801.db2.gz OJLDCZZURFKPCF-AWEZNQCLSA-N 0 3 287.363 2.227 20 30 CEEDHN COc1cccc(COCCNCc2cc(C#N)n(C)c2)c1 ZINC000359677556 155107024 /nfs/dbraw/zinc/10/70/24/155107024.db2.gz MNRKBXBFYLYANB-UHFFFAOYSA-N 0 3 299.374 2.212 20 30 CEEDHN C[C@@H](CC(=O)OC(C)(C)C)NCc1cc(C#N)n(C)c1 ZINC000359733822 155124664 /nfs/dbraw/zinc/12/46/64/155124664.db2.gz IGLNWZFLJATHEG-NSHDSACASA-N 0 3 277.368 2.107 20 30 CEEDHN Cc1nc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)ccc1C#N ZINC000363925035 156053660 /nfs/dbraw/zinc/05/36/60/156053660.db2.gz PHUSSONDNNPYTQ-CQSZACIVSA-N 0 3 298.390 2.008 20 30 CEEDHN Cc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1C#N ZINC000367037355 156118343 /nfs/dbraw/zinc/11/83/43/156118343.db2.gz SITQQHNXTKVQAP-CZUORRHYSA-N 0 3 283.375 2.033 20 30 CEEDHN COC(=O)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367215046 156151230 /nfs/dbraw/zinc/15/12/30/156151230.db2.gz CAFWKSHGWWLWDW-UHFFFAOYSA-N 0 3 270.332 2.210 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000367240276 156156441 /nfs/dbraw/zinc/15/64/41/156156441.db2.gz JCZCIQGETVHOEJ-GOEBONIOSA-N 0 3 286.375 2.425 20 30 CEEDHN C[C@H]1CCOCCN1CCCOc1ccc(C#N)cc1 ZINC000367665036 156221784 /nfs/dbraw/zinc/22/17/84/156221784.db2.gz UNXYOMGWQFSHHK-AWEZNQCLSA-N 0 3 274.364 2.438 20 30 CEEDHN Cc1c[nH]nc1CN[C@@H]1CCCN(c2ccccc2C#N)C1 ZINC000368083028 156283749 /nfs/dbraw/zinc/28/37/49/156283749.db2.gz IBLCKNXOFJXILP-OAHLLOKOSA-N 0 3 295.390 2.348 20 30 CEEDHN COC[C@H]1CCCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000375451444 157096738 /nfs/dbraw/zinc/09/67/38/157096738.db2.gz TWLQSZXDBUOCRN-ZDUSSCGKSA-N 0 3 261.369 2.145 20 30 CEEDHN N#Cc1ccc(CCC(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000171444799 162384780 /nfs/dbraw/zinc/38/47/80/162384780.db2.gz CABZEOQQYYPBTE-KRWDZBQOSA-N 0 3 297.402 2.188 20 30 CEEDHN C[C@H](CO[C@H]1CCOC1)N[C@H](C)c1cccc(C#N)c1 ZINC000245874783 162456289 /nfs/dbraw/zinc/45/62/89/162456289.db2.gz JZKFIUQTOCJRCE-IOASZLSFSA-N 0 3 274.364 2.403 20 30 CEEDHN N#Cc1ccccc1OCCN[C@@H](CO)c1ccccc1 ZINC000182931214 165379885 /nfs/dbraw/zinc/37/98/85/165379885.db2.gz GFPVEFTWHFDLMP-INIZCTEOSA-N 0 3 282.343 2.260 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC2(CC1)OCCO2 ZINC000118392342 287130876 /nfs/dbraw/zinc/13/08/76/287130876.db2.gz DBGPCHVIXUPKNJ-ZDUSSCGKSA-N 0 3 272.348 2.458 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000362931469 287130879 /nfs/dbraw/zinc/13/08/79/287130879.db2.gz JTUHAPVFYUFPPH-XJKSGUPXSA-N 0 3 298.390 2.109 20 30 CEEDHN CCc1ccc([C@@H](O)CNCc2cc(C#N)n(C)c2)cc1 ZINC000285564596 196327986 /nfs/dbraw/zinc/32/79/86/196327986.db2.gz NGXGKJFVADZVQX-KRWDZBQOSA-N 0 3 283.375 2.282 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@@H]1CC1CCCC1 ZINC000653892148 414774896 /nfs/dbraw/zinc/77/48/96/414774896.db2.gz BDHGOTFNKHFLRI-CQSZACIVSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C[C@H](CC)CC(F)F)C1=O ZINC000660464355 414835558 /nfs/dbraw/zinc/83/55/58/414835558.db2.gz ODWFZZSSFVLWLM-VXGBXAGGSA-N 0 3 274.355 2.387 20 30 CEEDHN C=CCCn1cc(CN[C@@H]2CCOC3(CCC3)C2)nn1 ZINC000657401668 414915827 /nfs/dbraw/zinc/91/58/27/414915827.db2.gz FSWMNAGAUYJPMK-CYBMUJFWSA-N 0 3 276.384 2.046 20 30 CEEDHN C=CCCn1cc(CNCC2([C@H](C)CCO)CCC2)nn1 ZINC000657428095 414930801 /nfs/dbraw/zinc/93/08/01/414930801.db2.gz YAWCGJFTIAXUFQ-CQSZACIVSA-N 0 3 292.427 2.133 20 30 CEEDHN C=CC[C@H](CO)NCc1cccc(F)c1OC(F)F ZINC000657436955 414936087 /nfs/dbraw/zinc/93/60/87/414936087.db2.gz XAYKHELXWHSTPG-SNVBAGLBSA-N 0 3 275.270 2.454 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)NC2CCN(C)CC2)C1 ZINC000660822015 414989074 /nfs/dbraw/zinc/98/90/74/414989074.db2.gz NKTKHDICBMDGEV-ZDUSSCGKSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000660844895 415004173 /nfs/dbraw/zinc/00/41/73/415004173.db2.gz WQTJCYHKUCIYKF-UONOGXRCSA-N 0 3 277.412 2.221 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cn(C2CCC2)nn1 ZINC000657454798 414947875 /nfs/dbraw/zinc/94/78/75/414947875.db2.gz MLIWVNPLVJQXMB-SWLSCSKDSA-N 0 3 276.384 2.074 20 30 CEEDHN C=C(C)CN(C)C[C@H]1CN(c2ccccc2)CCO1 ZINC000653609374 415054196 /nfs/dbraw/zinc/05/41/96/415054196.db2.gz JYJGVTVEXPPEPV-INIZCTEOSA-N 0 3 260.381 2.400 20 30 CEEDHN OCC1([C@H](NCC#Cc2ccccc2)C2CC2)CCOCC1 ZINC000661082115 415085734 /nfs/dbraw/zinc/08/57/34/415085734.db2.gz VECXYVPKLJTSLH-GOSISDBHSA-N 0 3 299.414 2.195 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OC)o2)CC1 ZINC000654749187 415027438 /nfs/dbraw/zinc/02/74/38/415027438.db2.gz MVIOZPNSSWDNPP-UHFFFAOYSA-N 0 3 278.352 2.059 20 30 CEEDHN C=CCC1(NCc2cc3n(n2)CCC3)CCOCC1 ZINC000657634347 415031867 /nfs/dbraw/zinc/03/18/67/415031867.db2.gz ITJJFVRIGDEHFV-UHFFFAOYSA-N 0 3 261.369 2.044 20 30 CEEDHN C=CCCn1cc(CNCC[C@]2(C)CC2(F)F)nn1 ZINC000657673151 415045642 /nfs/dbraw/zinc/04/56/42/415045642.db2.gz NVHANDRXDUMOGX-GFCCVEGCSA-N 0 3 270.327 2.379 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N[C@H]1CCN(CCC)C1 ZINC000661121007 415103382 /nfs/dbraw/zinc/10/33/82/415103382.db2.gz AGEKUHQWUCGJCA-STQMWFEESA-N 0 3 253.390 2.125 20 30 CEEDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCC#Cc2ccccc2)C1 ZINC000661218541 415141663 /nfs/dbraw/zinc/14/16/63/415141663.db2.gz ZRFNZXCEMGNSOX-KSZLIROESA-N 0 3 287.403 2.194 20 30 CEEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnnn1CC1CC1 ZINC000657975999 415144424 /nfs/dbraw/zinc/14/44/24/415144424.db2.gz JLAXBEAGBZCITE-KBPBESRZSA-N 0 3 275.400 2.308 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](CN)C(F)(F)F ZINC000659025254 415394919 /nfs/dbraw/zinc/39/49/19/415394919.db2.gz PHSSOBKKUCKRRY-VWYCJHECSA-N 0 3 293.333 2.310 20 30 CEEDHN C=CCOc1cccc(NC(=O)N2CC[C@@H](F)[C@H](N)C2)c1 ZINC000658989681 415380761 /nfs/dbraw/zinc/38/07/61/415380761.db2.gz SRPXJOBFEMRVNC-ZIAGYGMSSA-N 0 3 293.342 2.154 20 30 CEEDHN C=CCN(C(=O)Nc1cccc(CNC)c1)[C@@H](C)COC ZINC000659017680 415387741 /nfs/dbraw/zinc/38/77/41/415387741.db2.gz AGBPBOCVKKZRDH-ZDUSSCGKSA-N 0 3 291.395 2.461 20 30 CEEDHN C=CCCC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659365356 415542710 /nfs/dbraw/zinc/54/27/10/415542710.db2.gz GWCMOIRKHBSNCF-CQSZACIVSA-N 0 3 260.337 2.252 20 30 CEEDHN C=CCCCCCN1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662011528 415570536 /nfs/dbraw/zinc/57/05/36/415570536.db2.gz LSXOUTMEZSIFKZ-AWEZNQCLSA-N 0 3 267.417 2.421 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(=O)n2ccccc2n1 ZINC000662085338 415617577 /nfs/dbraw/zinc/61/75/77/415617577.db2.gz FBSCHJWNBPCFGL-GASCZTMLSA-N 0 3 281.359 2.378 20 30 CEEDHN CCC#C[C@@H](C)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000665253733 415651234 /nfs/dbraw/zinc/65/12/34/415651234.db2.gz HCPDRBWXWBUSRE-HUUCEWRRSA-N 0 3 262.397 2.265 20 30 CEEDHN C=CC[C@H](C)NC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000656108905 415594736 /nfs/dbraw/zinc/59/47/36/415594736.db2.gz IVLWYESQJZFNPW-ZDUSSCGKSA-N 0 3 267.417 2.467 20 30 CEEDHN Cc1cccnc1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000071340097 176129739 /nfs/dbraw/zinc/12/97/39/176129739.db2.gz GIDCSNQIQWIWRU-MRXNPFEDSA-N 0 3 267.332 2.085 20 30 CEEDHN C=CCCCCN1CCc2c(cccc2C(N)=O)C1 ZINC000662294976 415759569 /nfs/dbraw/zinc/75/95/69/415759569.db2.gz JAPCBCOSNOSGSQ-UHFFFAOYSA-N 0 3 258.365 2.500 20 30 CEEDHN C=CCCC1(CNC(=O)C[C@H]2CNCCO2)CCCC1 ZINC000662621016 415906074 /nfs/dbraw/zinc/90/60/74/415906074.db2.gz SYDDOSPIQCMGHY-AWEZNQCLSA-N 0 3 280.412 2.008 20 30 CEEDHN C=CCCCN(C)CC(=O)NCc1cc(F)cc(F)c1 ZINC000076737044 177076554 /nfs/dbraw/zinc/07/65/54/177076554.db2.gz AKWMSYCXSGEPNS-UHFFFAOYSA-N 0 3 282.334 2.479 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)CCSC)CC1 ZINC000077594226 177283404 /nfs/dbraw/zinc/28/34/04/177283404.db2.gz MWTOYZUWMZFVNK-ZDUSSCGKSA-N 0 3 299.484 2.420 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CC=CC1 ZINC000077737018 177297625 /nfs/dbraw/zinc/29/76/25/177297625.db2.gz REYMYWJPNPDXBI-UHFFFAOYSA-N 0 3 297.402 2.415 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1CC(=O)c1ccco1 ZINC000344342082 225037103 /nfs/dbraw/zinc/03/71/03/225037103.db2.gz WHAUHNRIKILCSF-MNOVXSKESA-N 0 3 260.293 2.003 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)Nc2cccc(CC#N)c2)CCN1C ZINC000334982629 225384317 /nfs/dbraw/zinc/38/43/17/225384317.db2.gz QNZVLSUREYAMHJ-IUODEOHRSA-N 0 3 286.379 2.357 20 30 CEEDHN Cn1ccc(CNC(=O)[C@@H]2CCCN2C2CCCC2)n1 ZINC000329007988 227255449 /nfs/dbraw/zinc/25/54/49/227255449.db2.gz ZOJVSKZPGDJNAE-AWEZNQCLSA-N 0 3 276.384 2.284 20 30 CEEDHN Cn1ccc(CCC(=O)NCCN2CCCCCC2)n1 ZINC000330276957 228089844 /nfs/dbraw/zinc/08/98/44/228089844.db2.gz NQAGZSKANCTMKD-UHFFFAOYSA-N 0 3 278.400 2.185 20 30 CEEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)[C@H]1CC1(C)C ZINC000331912831 228138609 /nfs/dbraw/zinc/13/86/09/228138609.db2.gz UKKYOYBVNKNLJN-GJZGRUSLSA-N 0 3 281.359 2.497 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000335921708 228165584 /nfs/dbraw/zinc/16/55/84/228165584.db2.gz QQYMVBMQSXWRFI-GHMZBOCLSA-N 0 3 278.739 2.479 20 30 CEEDHN CC(C#N)C(=O)NCC1CCN(c2ccccc2)CC1 ZINC000352147763 228187674 /nfs/dbraw/zinc/18/76/74/228187674.db2.gz KACJRUZSLSFMBI-ZDUSSCGKSA-N 0 3 271.364 2.179 20 30 CEEDHN C=C[C@](C)(O)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000665873061 419467242 /nfs/dbraw/zinc/46/72/42/419467242.db2.gz PLMDPWTWOOOYHR-RDJZCZTQSA-N 0 3 290.407 2.123 20 30 CEEDHN C#CCN(CCc1cncn1C)Cc1ccccc1 ZINC000297364894 260119817 /nfs/dbraw/zinc/11/98/17/260119817.db2.gz GBRLIFUIQNAKAO-UHFFFAOYSA-N 0 3 253.349 2.098 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1C[C@H](C)C[C@H](C)C1 ZINC000408017329 260171938 /nfs/dbraw/zinc/17/19/38/260171938.db2.gz MCKGKIXMOMTALC-KNCOVGOOSA-N 0 3 279.428 2.407 20 30 CEEDHN C[C@H]1CC(C)(C)C[C@](CO)(NCC2(C#N)CC2)C1 ZINC000408111042 260236243 /nfs/dbraw/zinc/23/62/43/260236243.db2.gz YQZLDGBGJKSBOQ-SWLSCSKDSA-N 0 3 250.386 2.457 20 30 CEEDHN C=C(C)COCCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000445207406 260296730 /nfs/dbraw/zinc/29/67/30/260296730.db2.gz AYPHKYRIKCAAJJ-UHFFFAOYSA-N 0 3 297.443 2.000 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000448783621 261089701 /nfs/dbraw/zinc/08/97/01/261089701.db2.gz UOQIDWCIWGLOLX-QWHCGFSZSA-N 0 3 252.402 2.435 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000248915085 261216870 /nfs/dbraw/zinc/21/68/70/261216870.db2.gz JTOUSCVGAUAJAE-LALPHHSUSA-N 0 3 250.386 2.330 20 30 CEEDHN C#CCN(C(=O)N[C@@H](C)C1=CCN(C)CC1)C1CCCC1 ZINC000490937390 261256555 /nfs/dbraw/zinc/25/65/55/261256555.db2.gz UOANTJUZTBNKMF-AWEZNQCLSA-N 0 3 289.423 2.224 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1C1CCC1 ZINC000102927467 261272294 /nfs/dbraw/zinc/27/22/94/261272294.db2.gz KXPDHRFNVXFASF-UKRRQHHQSA-N 0 3 277.412 2.259 20 30 CEEDHN C#CCN(CCCN1CCCC1=O)Cc1ccccc1 ZINC000491180307 261363276 /nfs/dbraw/zinc/36/32/76/261363276.db2.gz KUIBEORQQZFCGS-UHFFFAOYSA-N 0 3 270.376 2.134 20 30 CEEDHN COc1ccc([C@@H](O)CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185770989 262069847 /nfs/dbraw/zinc/06/98/47/262069847.db2.gz DTUXBXDCFWEDEI-NOLJZWGESA-N 0 3 274.364 2.401 20 30 CEEDHN CN(Cc1ccc(N(C)CCC#N)cc1)CC1(CO)CC1 ZINC000188954000 262164407 /nfs/dbraw/zinc/16/44/07/262164407.db2.gz FQUJKUYTIFPMIS-UHFFFAOYSA-N 0 3 287.407 2.241 20 30 CEEDHN N#CCCCN[C@@H](CO)c1cccc(Br)c1 ZINC000183907208 262179105 /nfs/dbraw/zinc/17/91/05/262179105.db2.gz VEPKHWSYMSLRJE-LBPRGKRZSA-N 0 3 283.169 2.376 20 30 CEEDHN C=CCC[C@@H](O)CN1CC[C@H](Oc2cccnc2C)C1 ZINC000365278587 262357510 /nfs/dbraw/zinc/35/75/10/262357510.db2.gz WTMJHRYDJVQHPF-CABCVRRESA-N 0 3 276.380 2.170 20 30 CEEDHN CC(C)(C#N)CCCCN1CCN([C@@H]2CCOC2)CC1 ZINC000365431153 262365166 /nfs/dbraw/zinc/36/51/66/262365166.db2.gz HDPQKABIJSIGSG-OAHLLOKOSA-N 0 3 279.428 2.113 20 30 CEEDHN C[C@@H](NCCCC#N)c1ccc([S@@](C)=O)cc1 ZINC000271776017 262999485 /nfs/dbraw/zinc/99/94/85/262999485.db2.gz FZEDNSCKQFTSOS-PIGZYNQJSA-N 0 3 250.367 2.378 20 30 CEEDHN Cc1occc1C(=O)NC1CCN([C@H](C)CCC#N)CC1 ZINC000276296306 263035769 /nfs/dbraw/zinc/03/57/69/263035769.db2.gz IWSXDAMQXLYAPR-GFCCVEGCSA-N 0 3 289.379 2.475 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H](CCCO)C2)cc1F ZINC000452120134 263038320 /nfs/dbraw/zinc/03/83/20/263038320.db2.gz LROKINHSYHLFBW-GFCCVEGCSA-N 0 3 262.328 2.292 20 30 CEEDHN C[C@@H]1CSCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280248271 263060031 /nfs/dbraw/zinc/06/00/31/263060031.db2.gz BUTSQWMXQJJZMT-IUODEOHRSA-N 0 3 299.399 2.204 20 30 CEEDHN CC[C@@H]1CN(CCCSCC#N)C[C@@]2(CCCOC2)O1 ZINC000369805868 263060854 /nfs/dbraw/zinc/06/08/54/263060854.db2.gz QIKUILZVULDPKY-HUUCEWRRSA-N 0 3 298.452 2.293 20 30 CEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000280522282 263062648 /nfs/dbraw/zinc/06/26/48/263062648.db2.gz RWYUHRROAPDWIP-IOASZLSFSA-N 0 3 281.359 2.355 20 30 CEEDHN C=CC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280831102 263064618 /nfs/dbraw/zinc/06/46/18/263064618.db2.gz IOIJQLALJKTCHS-SWLSCSKDSA-N 0 3 267.332 2.321 20 30 CEEDHN CN(C)Cc1ccc(C(N)=NOCCCCF)cc1 ZINC000285119344 263090271 /nfs/dbraw/zinc/09/02/71/263090271.db2.gz KFVQYSOJRZEGBT-UHFFFAOYSA-N 0 3 267.348 2.135 20 30 CEEDHN CN1CC[C@H](NC[C@@H](C#N)CCC#N)[C@@H]1c1ccccc1 ZINC000289351046 263109389 /nfs/dbraw/zinc/10/93/89/263109389.db2.gz HGZZUUGUGVVYNY-PVAVHDDUSA-N 0 3 282.391 2.465 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299.399 2.204 20 30 CEEDHN C=CCC[C@@H](CO)N[C@H](C)c1cnn(C(C)C)c1 ZINC000453337055 263241319 /nfs/dbraw/zinc/24/13/19/263241319.db2.gz BNVYXJRZXUNNCN-OCCSQVGLSA-N 0 3 251.374 2.442 20 30 CEEDHN CC(C)(NCC(=O)N(CCC#N)CCC#N)c1ccccc1 ZINC000299542744 263246257 /nfs/dbraw/zinc/24/62/57/263246257.db2.gz AFCVHGTZOKIFIN-UHFFFAOYSA-N 0 3 298.390 2.167 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C(C)(F)F)CC1 ZINC000454462247 263319951 /nfs/dbraw/zinc/31/99/51/263319951.db2.gz KIKJZCHQXNEQHD-NSHDSACASA-N 0 3 289.370 2.370 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCCCCC#N ZINC000341127789 263323079 /nfs/dbraw/zinc/32/30/79/263323079.db2.gz YOSFQWXDFRSZAE-OKILXGFUSA-N 0 3 280.416 2.242 20 30 CEEDHN C=C[C@H](C)NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000341515449 263340567 /nfs/dbraw/zinc/34/05/67/263340567.db2.gz VWUBVPHVYJZKIU-UONOGXRCSA-N 0 3 275.396 2.381 20 30 CEEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341880574 263362533 /nfs/dbraw/zinc/36/25/33/263362533.db2.gz 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267340746 /nfs/dbraw/zinc/34/07/46/267340746.db2.gz FPMYLOGDDFQSCL-CQSZACIVSA-N 0 3 280.412 2.076 20 30 CEEDHN COC(=O)CC1(NCc2ccc(C#N)cc2OC)CCC1 ZINC000459385165 267360134 /nfs/dbraw/zinc/36/01/34/267360134.db2.gz FWMRALPTSQSZMF-UHFFFAOYSA-N 0 3 288.347 2.142 20 30 CEEDHN C#CCCN1CCc2cc(OC)c(OC)cc2CC1 ZINC000371183754 267360769 /nfs/dbraw/zinc/36/07/69/267360769.db2.gz KOGWHNGWGGQVPV-UHFFFAOYSA-N 0 3 259.349 2.128 20 30 CEEDHN N#CC1(CNC2CCN(c3nccs3)CC2)CCC1 ZINC000418144313 267365157 /nfs/dbraw/zinc/36/51/57/267365157.db2.gz SOFSLTLQBDGENX-UHFFFAOYSA-N 0 3 276.409 2.395 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NCCCNCc1cccnc1 ZINC000418148012 267374318 /nfs/dbraw/zinc/37/43/18/267374318.db2.gz NCWBBYSOEOLIST-HNNXBMFYSA-N 0 3 290.411 2.215 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C3CC3)C2)CC1 ZINC000371240029 267377490 /nfs/dbraw/zinc/37/74/90/267377490.db2.gz RTJWOGDOSWSEJQ-CQSZACIVSA-N 0 3 277.412 2.078 20 30 CEEDHN CN(C(=O)CN1CC[C@@H](C2CC2)C1)C1(C#N)CCCCC1 ZINC000371307707 267386623 /nfs/dbraw/zinc/38/66/23/267386623.db2.gz HKOACEDNLVFSEQ-OAHLLOKOSA-N 0 3 289.423 2.403 20 30 CEEDHN C=CCOCCN[C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000376266663 267954163 /nfs/dbraw/zinc/95/41/63/267954163.db2.gz PNVUTSFEHXVGAK-ZDUSSCGKSA-N 0 3 278.327 2.391 20 30 CEEDHN C=C[C@H](C)NCc1cc(OC)c(OC)c(OC)c1 ZINC000123191068 268005450 /nfs/dbraw/zinc/00/54/50/268005450.db2.gz YMLAHUMKYJCLMJ-JTQLQIEISA-N 0 3 251.326 2.377 20 30 CEEDHN C#CCCN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000376794761 268018490 /nfs/dbraw/zinc/01/84/90/268018490.db2.gz RNOIEKNUSZUCKP-AWEZNQCLSA-N 0 3 272.396 2.207 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[C@@H](F)C2)cc1 ZINC000360370932 268092255 /nfs/dbraw/zinc/09/22/55/268092255.db2.gz GBFKOLLXLYZGAR-RBSFLKMASA-N 0 3 285.322 2.247 20 30 CEEDHN Cn1ncc(C#N)c1NC[C@@H]1CCN1C1CCCCC1 ZINC000528120014 268131351 /nfs/dbraw/zinc/13/13/51/268131351.db2.gz YRVLBMNMGHVNTI-AWEZNQCLSA-N 0 3 273.384 2.111 20 30 CEEDHN CS[C@H]1CN(Cc2cccc(F)c2C#N)C[C@@H]1N(C)C ZINC000428308286 271256810 /nfs/dbraw/zinc/25/68/10/271256810.db2.gz ZLJAENJPPNAZDY-GJZGRUSLSA-N 0 3 293.411 2.175 20 30 CEEDHN N#Cc1ccc(CN[C@H]2COc3ccccc3[C@H]2O)cc1 ZINC000367282186 274923093 /nfs/dbraw/zinc/92/30/93/274923093.db2.gz HQMSRHDVORHJPZ-DOTOQJQBSA-N 0 3 280.327 2.142 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000345901293 275418681 /nfs/dbraw/zinc/41/86/81/275418681.db2.gz JQRYIBANEAYLOT-JYJNAYRXSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC(NC(=O)CCCCC)CC1 ZINC000351617956 275423857 /nfs/dbraw/zinc/42/38/57/275423857.db2.gz FYGHZHWJBFZRNK-MRXNPFEDSA-N 0 3 296.455 2.474 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000333382715 276157393 /nfs/dbraw/zinc/15/73/93/276157393.db2.gz BJEQKBHVHOGBGN-PBHICJAKSA-N 0 3 289.423 2.451 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000330260331 276369525 /nfs/dbraw/zinc/36/95/25/276369525.db2.gz OFQBCOXXSBUWCQ-UONOGXRCSA-N 0 3 295.427 2.076 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000345901296 276868932 /nfs/dbraw/zinc/86/89/32/276868932.db2.gz JQRYIBANEAYLOT-PMPSAXMXSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000336297699 276880594 /nfs/dbraw/zinc/88/05/94/276880594.db2.gz CRYOFOFBSIIQSC-CHWSQXEVSA-N 0 3 250.386 2.284 20 30 CEEDHN COC[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@@H]1CCCO1 ZINC000353597184 277263805 /nfs/dbraw/zinc/26/38/05/277263805.db2.gz OTVHQWKOMYEDBS-ULQDDVLXSA-N 0 3 286.375 2.329 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000336592474 278132657 /nfs/dbraw/zinc/13/26/57/278132657.db2.gz YYMRIAVVHCRENI-LDYMZIIASA-N 0 3 264.712 2.439 20 30 CEEDHN CC(C)(O)[C@@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000136253461 280060097 /nfs/dbraw/zinc/06/00/97/280060097.db2.gz UDXXEJOBFZYOBT-AWEZNQCLSA-N 0 3 262.328 2.433 20 30 CEEDHN C[C@@H]1C[C@@H](NCc2cc(C#N)cs2)CN1C1CC1 ZINC000151104162 280088681 /nfs/dbraw/zinc/08/86/81/280088681.db2.gz XNFZHIZHFAZVEL-ZYHUDNBSSA-N 0 3 261.394 2.335 20 30 CEEDHN COCC[C@H](COC)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353638617 292695270 /nfs/dbraw/zinc/69/52/70/292695270.db2.gz BEQRKTUEINWISG-ZBFHGGJFSA-N 0 3 274.364 2.187 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)CC1CCOCC1 ZINC000155950932 289186066 /nfs/dbraw/zinc/18/60/66/289186066.db2.gz SYPRICMEAQWHOX-UHFFFAOYSA-N 0 3 274.364 2.425 20 30 CEEDHN CN1CCC(CC(=O)N2CCCC(C)(C)[C@@H]2C#N)CC1 ZINC000335694422 289874738 /nfs/dbraw/zinc/87/47/38/289874738.db2.gz LTMVLQODIZUQNE-AWEZNQCLSA-N 0 3 277.412 2.259 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000346613890 290246720 /nfs/dbraw/zinc/24/67/20/290246720.db2.gz HCEWHSMUATTYKL-MEYUZBJRSA-N 0 3 283.375 2.205 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@H](c2nccn2C)C1 ZINC000535045058 298181636 /nfs/dbraw/zinc/18/16/36/298181636.db2.gz LDBRNZQUIHWUSY-HNNXBMFYSA-N 0 3 296.374 2.290 20 30 CEEDHN C[C@H](NC1(C2CC2)CC1)C(=O)Nc1ccccc1C#N ZINC000542522039 298291955 /nfs/dbraw/zinc/29/19/55/298291955.db2.gz SRFVJIOPNZQUEB-NSHDSACASA-N 0 3 269.348 2.417 20 30 CEEDHN C[C@H](Cn1cncn1)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271915465 298931414 /nfs/dbraw/zinc/93/14/14/298931414.db2.gz CABGVUKTVMOOFC-MNOVXSKESA-N 0 3 273.315 2.028 20 30 CEEDHN CC[C@@H](NCC(=O)Nc1sccc1C#N)[C@H]1CCCO1 ZINC000182334436 312816187 /nfs/dbraw/zinc/81/61/87/312816187.db2.gz PCKAUSINUOKSJJ-VXGBXAGGSA-N 0 3 293.392 2.105 20 30 CEEDHN COc1cccc(NC(=O)CCN2CCC(C#N)CC2)c1 ZINC000173267679 327771326 /nfs/dbraw/zinc/77/13/26/327771326.db2.gz STVAPKQKWVYOGD-UHFFFAOYSA-N 0 3 287.363 2.259 20 30 CEEDHN Cn1ccnc1[C@H]1CCN(CCOc2ccc(C#N)cc2)C1 ZINC000535316475 313390645 /nfs/dbraw/zinc/39/06/45/313390645.db2.gz GOBVPZIUDHOPEZ-HNNXBMFYSA-N 0 3 296.374 2.160 20 30 CEEDHN N#Cc1c2c(cnc1N1CC[C@H](N3CCCC3)C1)CCC2 ZINC000564876655 313780742 /nfs/dbraw/zinc/78/07/42/313780742.db2.gz IZOYOYFYGLAVNO-AWEZNQCLSA-N 0 3 282.391 2.116 20 30 CEEDHN N#C[C@H]1CCC[C@H](NC[C@@H](O)c2ccsc2)C1 ZINC000185838178 327847459 /nfs/dbraw/zinc/84/74/59/327847459.db2.gz SANFFPFJMUPWIK-WCFLWFBJSA-N 0 3 250.367 2.453 20 30 CEEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2c3ccccc3C[C@H]2O)C1 ZINC000185859558 327848417 /nfs/dbraw/zinc/84/84/17/327848417.db2.gz FOWXPBCKEJPSNW-KSZJFAHPSA-N 0 3 256.349 2.317 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000571101020 328085388 /nfs/dbraw/zinc/08/53/88/328085388.db2.gz QGWRMWGQYHBBDC-NSHDSACASA-N 0 3 299.378 2.471 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc2c(cnn2C(C)C)c1 ZINC000571254439 328095109 /nfs/dbraw/zinc/09/51/09/328095109.db2.gz LYRYNOFMEMPOHC-CABCVRRESA-N 0 3 286.379 2.445 20 30 CEEDHN C=CCSCCNC(=O)NCCN1CCCC[C@H]1CC ZINC000172154556 329081737 /nfs/dbraw/zinc/08/17/37/329081737.db2.gz CAVBYNCRODJXDN-CQSZACIVSA-N 0 3 299.484 2.469 20 30 CEEDHN C=C[C@@](C)(O)CC(=O)Nc1ccccc1CN(C)C ZINC000571604777 328136971 /nfs/dbraw/zinc/13/69/71/328136971.db2.gz KSGMVDPLASSJGE-OAHLLOKOSA-N 0 3 262.353 2.014 20 30 CEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)CN(C)C ZINC000413542337 328149099 /nfs/dbraw/zinc/14/90/99/328149099.db2.gz NRVYLVFHXABMSN-HOCLYGCPSA-N 0 3 289.423 2.423 20 30 CEEDHN CC1CCN(CCNC(=O)c2ccc(CC#N)cc2)CC1 ZINC000270256880 328192415 /nfs/dbraw/zinc/19/24/15/328192415.db2.gz OLQIWBLDTCTLGZ-UHFFFAOYSA-N 0 3 285.391 2.214 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](COC)CC1 ZINC000452077116 328217159 /nfs/dbraw/zinc/21/71/59/328217159.db2.gz FPIPJWBQNGPSEJ-JKSUJKDBSA-N 0 3 294.439 2.324 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCC(F)(F)c1ccc(F)cc1 ZINC000571658128 328222958 /nfs/dbraw/zinc/22/29/58/328222958.db2.gz FLZRWVSBMFCOJJ-LBPRGKRZSA-N 0 3 299.296 2.055 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCCC#N ZINC000291866528 328267027 /nfs/dbraw/zinc/26/70/27/328267027.db2.gz HSTGDLBSGBTEQP-ZBFHGGJFSA-N 0 3 285.391 2.317 20 30 CEEDHN N#Cc1cccc(NC(=O)CN[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000581652924 322413560 /nfs/dbraw/zinc/41/35/60/322413560.db2.gz DQKPMNLOQQWZSN-VHDGCEQUSA-N 0 3 269.348 2.275 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000341468227 328411734 /nfs/dbraw/zinc/41/17/34/328411734.db2.gz RYQTWXHTCLJMBK-QWHCGFSZSA-N 0 3 253.390 2.077 20 30 CEEDHN C[C@H](c1ccccc1)[C@@H](O)CNCC1(CC#N)CC1 ZINC000566124057 327142328 /nfs/dbraw/zinc/14/23/28/327142328.db2.gz GXYKWPKXOPLPBA-HIFRSBDPSA-N 0 3 258.365 2.434 20 30 CEEDHN COc1ccccc1CN(CCO)CCCCC#N ZINC000103143729 327233137 /nfs/dbraw/zinc/23/31/37/327233137.db2.gz GXWHANSSVSARHE-UHFFFAOYSA-N 0 3 262.353 2.183 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1CCC(C(N)=O)CC1 ZINC000135095552 327503660 /nfs/dbraw/zinc/50/36/60/327503660.db2.gz BXCBOZQDGYPMKK-UHFFFAOYSA-N 0 3 285.391 2.185 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(Br)cn1 ZINC000390468668 328968506 /nfs/dbraw/zinc/96/85/06/328968506.db2.gz ILKFXPWGQWRGTB-KOLCDFICSA-N 0 3 285.185 2.432 20 30 CEEDHN CCCCCCCN1CCN([C@H]2CCOC2)CC1 ZINC000378399457 329049024 /nfs/dbraw/zinc/04/90/24/329049024.db2.gz UGUQNJNSOGRHHD-HNNXBMFYSA-N 0 3 254.418 2.363 20 30 CEEDHN N#CCCCCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000171690027 329078324 /nfs/dbraw/zinc/07/83/24/329078324.db2.gz GXDPKZDRVOKGKW-OAHLLOKOSA-N 0 3 292.427 2.340 20 30 CEEDHN C=CCN1CCC(NC(=O)Cn2ccc3ccccc32)CC1 ZINC000171715701 329078880 /nfs/dbraw/zinc/07/88/80/329078880.db2.gz HTENQVSMDFQXJM-UHFFFAOYSA-N 0 3 297.402 2.408 20 30 CEEDHN C=C(C)CN(CC)C(=O)NCCCNCc1cccnc1 ZINC000418327064 329084472 /nfs/dbraw/zinc/08/44/72/329084472.db2.gz LOVWUEXQKKGYEZ-UHFFFAOYSA-N 0 3 290.411 2.169 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CCC2CCOCC2)CC1 ZINC000173102105 329144965 /nfs/dbraw/zinc/14/49/65/329144965.db2.gz GSRAOZLWXQHMRJ-UHFFFAOYSA-N 0 3 294.439 2.350 20 30 CEEDHN CC[C@H](CC#N)NC1CCN(Cc2cccnc2)CC1 ZINC000184087202 329255945 /nfs/dbraw/zinc/25/59/45/329255945.db2.gz LAVJGIUJOFYFAF-OAHLLOKOSA-N 0 3 272.396 2.328 20 30 CEEDHN C#CCCCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000184198736 329257239 /nfs/dbraw/zinc/25/72/39/329257239.db2.gz UASZSKUHYDHSLZ-WBVHZDCISA-N 0 3 299.418 2.220 20 30 CEEDHN C=CCCCCN1CCSC[C@H]1CC(=O)OC ZINC000583185032 329349238 /nfs/dbraw/zinc/34/92/38/329349238.db2.gz XGQULESBQZQKIX-GFCCVEGCSA-N 0 3 257.399 2.323 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CCC1 ZINC000189185852 329376697 /nfs/dbraw/zinc/37/66/97/329376697.db2.gz FRIDXAYOWKVZFY-STQMWFEESA-N 0 3 262.397 2.474 20 30 CEEDHN C=CCN(CCOC)C(=O)NCC(C)(C)N1CCCCC1 ZINC000190463127 329397253 /nfs/dbraw/zinc/39/72/53/329397253.db2.gz TVXIEVGAUUXRJI-UHFFFAOYSA-N 0 3 297.443 2.095 20 30 CEEDHN C=CCN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000129309422 329616627 /nfs/dbraw/zinc/61/66/27/329616627.db2.gz WJTLKIRLRQWIOY-UHFFFAOYSA-N 0 3 270.376 2.474 20 30 CEEDHN CCc1ccc([C@@H](NCC(=O)NCC#N)C(C)C)cc1 ZINC000066473460 329848144 /nfs/dbraw/zinc/84/81/44/329848144.db2.gz ZIZSYHUHNXOIGE-INIZCTEOSA-N 0 3 273.380 2.175 20 30 CEEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C(=O)N1CCCC[C@H]1C ZINC000248919094 329902354 /nfs/dbraw/zinc/90/23/54/329902354.db2.gz WKKBFNXIQOQSBL-LXTVHRRPSA-N 0 3 277.412 2.448 20 30 CEEDHN C=CCOc1ccccc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421701516 330068947 /nfs/dbraw/zinc/06/89/47/330068947.db2.gz HZKHGRCJVNYIMV-AWEZNQCLSA-N 0 3 288.391 2.418 20 30 CEEDHN C#CC[C@@H](NC[C@@H](O)COCC(C)C)c1ccccc1 ZINC000271703468 330081911 /nfs/dbraw/zinc/08/19/11/330081911.db2.gz NBKIQPSZWPPXOX-IAGOWNOFSA-N 0 3 275.392 2.374 20 30 CEEDHN C[C@H](C[C@H]1COCCN1)N[C@H](CCC#N)c1ccccc1 ZINC000422994473 330163199 /nfs/dbraw/zinc/16/31/99/330163199.db2.gz HUGTWPZWBDYCJJ-HYVNUMGLSA-N 0 3 287.407 2.388 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000423178046 330175173 /nfs/dbraw/zinc/17/51/73/330175173.db2.gz FMWQTYAXDVBIEQ-UKRRQHHQSA-N 0 3 288.391 2.256 20 30 CEEDHN N#CC1(NC(=O)CNC2(c3ccccc3)CCC2)CCC1 ZINC000527135380 330225665 /nfs/dbraw/zinc/22/56/65/330225665.db2.gz GETGUFFKZROWDT-UHFFFAOYSA-N 0 3 283.375 2.218 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCCCC1CCCCC1 ZINC000424095735 330226878 /nfs/dbraw/zinc/22/68/78/330226878.db2.gz WWEYMGIGDZWZQZ-CQSZACIVSA-N 0 3 265.401 2.484 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000424119221 330245941 /nfs/dbraw/zinc/24/59/41/330245941.db2.gz FKNKXWSGTHZBAT-HZSPNIEDSA-N 0 3 263.385 2.093 20 30 CEEDHN CCCC[C@H](CCC)NC(=O)[C@H](N)CCCC#N ZINC000424120627 330249409 /nfs/dbraw/zinc/24/94/09/330249409.db2.gz HMEUFIHWOOFKDD-QWHCGFSZSA-N 0 3 253.390 2.483 20 30 CEEDHN CN(Cc1cc2ccccc2o1)C(=O)[C@@H](N)CCCC#N ZINC000424123054 330255048 /nfs/dbraw/zinc/25/50/48/330255048.db2.gz JTRIJEJRYKFNKJ-AWEZNQCLSA-N 0 3 285.347 2.412 20 30 CEEDHN CC(C)(CNC(=O)[C@@H](N)CCCC#N)c1cccs1 ZINC000424126001 330259121 /nfs/dbraw/zinc/25/91/21/330259121.db2.gz OKCZFNTVGQLKDY-NSHDSACASA-N 0 3 279.409 2.163 20 30 CEEDHN C[C@@H](CNC(=O)[C@H](N)CCCC#N)Cc1cccs1 ZINC000424128896 330259916 /nfs/dbraw/zinc/25/99/16/330259916.db2.gz RPJMONLBHVNDGC-DGCLKSJQSA-N 0 3 279.409 2.064 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000424135904 330270963 /nfs/dbraw/zinc/27/09/63/330270963.db2.gz ZZLHJTAOLNWDSD-FQUUOJAGSA-N 0 3 263.385 2.093 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1CCN(c2ccncc2)CC1 ZINC000527711178 330275703 /nfs/dbraw/zinc/27/57/03/330275703.db2.gz HNBGEXDUNBTKNR-UHFFFAOYSA-N 0 3 286.379 2.060 20 30 CEEDHN Cc1cc(F)ccc1CN(C)C(=O)[C@@H](N)CCCC#N ZINC000424163900 330308276 /nfs/dbraw/zinc/30/82/76/330308276.db2.gz AYUBURMDSBYIRD-AWEZNQCLSA-N 0 3 277.343 2.114 20 30 CEEDHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)[C@H](N)CCCC#N ZINC000424165218 330308863 /nfs/dbraw/zinc/30/88/63/330308863.db2.gz AENFIMDXJORAPX-HZSPNIEDSA-N 0 3 295.427 2.060 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc([O-])cc(F)c1 ZINC000424178484 330318214 /nfs/dbraw/zinc/31/82/14/330318214.db2.gz WGZWNUBLQFZXIQ-FZMZJTMJSA-N 0 3 251.301 2.212 20 30 CEEDHN CCN(C(=O)[C@H](N)CCCC#N)[C@H]1CCCC[C@H]1C ZINC000424197850 330326043 /nfs/dbraw/zinc/32/60/43/330326043.db2.gz XHEWWDWPLUJKKW-MCIONIFRSA-N 0 3 265.401 2.435 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@@H]1C[C@@H](OC)C1(CC)CC ZINC000429311327 330543680 /nfs/dbraw/zinc/54/36/80/330543680.db2.gz QUHVETWGTAHCEN-HUUCEWRRSA-N 0 3 294.439 2.370 20 30 CEEDHN Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1S(C)(=O)=O ZINC000442868501 330788808 /nfs/dbraw/zinc/78/88/08/330788808.db2.gz CJSBCYFYZLFPTM-GXTWGEPZSA-N 0 3 292.404 2.180 20 30 CEEDHN CCS(=O)(=O)c1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442881132 330790282 /nfs/dbraw/zinc/79/02/82/330790282.db2.gz YXZGJVBSHQNHPN-OCCSQVGLSA-N 0 3 292.404 2.262 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(COC)o1 ZINC000449548666 330935851 /nfs/dbraw/zinc/93/58/51/330935851.db2.gz PLCGDEYEIQYYET-KGLIPLIRSA-N 0 3 251.326 2.249 20 30 CEEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)C(=O)NCCc1ccccc1 ZINC000449580177 330938426 /nfs/dbraw/zinc/93/84/26/330938426.db2.gz NTKHPQZOQKBLSN-CWRNSKLLSA-N 0 3 285.391 2.016 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)[C@@]2(C#N)CC23CCCC3)CCCN1C ZINC000450793209 331000049 /nfs/dbraw/zinc/00/00/49/331000049.db2.gz KZSGCEGAHGFJHC-WWGRRREGSA-N 0 3 275.396 2.059 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000451600163 331035700 /nfs/dbraw/zinc/03/57/00/331035700.db2.gz QENWJGLIPSNTJC-GLQYFDAESA-N 0 3 292.354 2.394 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cn2c(cccc2C)n1 ZINC000451672544 331038374 /nfs/dbraw/zinc/03/83/74/331038374.db2.gz IFFGDUIXNIWGSG-CABCVRRESA-N 0 3 271.364 2.466 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCCC[C@H]1OCC ZINC000452032979 331051285 /nfs/dbraw/zinc/05/12/85/331051285.db2.gz OUXMFWCDSDTDNA-HUUCEWRRSA-N 0 3 282.428 2.348 20 30 CEEDHN Cc1cccc([C@H](C)NCCC(=O)N(C)CCC#N)c1 ZINC000452077825 331053239 /nfs/dbraw/zinc/05/32/39/331053239.db2.gz DUMPTTXAXGVSJB-AWEZNQCLSA-N 0 3 273.380 2.408 20 30 CEEDHN C=CCN1CC[C@@H](N[C@@H](C)c2cccc(C)c2)C1=O ZINC000452081043 331053346 /nfs/dbraw/zinc/05/33/46/331053346.db2.gz HUCPVJYLHBNZEV-DZGCQCFKSA-N 0 3 258.365 2.433 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC2(CC2)C1 ZINC000452695455 331072450 /nfs/dbraw/zinc/07/24/50/331072450.db2.gz GGCSCPJGUXTVAX-AWEZNQCLSA-N 0 3 254.333 2.381 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1 ZINC000454319928 331144130 /nfs/dbraw/zinc/14/41/30/331144130.db2.gz MIUGISJXFJQDPV-KKUMJFAQSA-N 0 3 292.427 2.100 20 30 CEEDHN C=CCOCCCC(=O)Nc1cc(C)cc(CN)c1 ZINC000457365299 331220084 /nfs/dbraw/zinc/22/00/84/331220084.db2.gz CDEHGNAXKJLZFW-UHFFFAOYSA-N 0 3 262.353 2.375 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(C)CC(C)(C)C#N)CC1 ZINC000458312244 331248217 /nfs/dbraw/zinc/24/82/17/331248217.db2.gz BAIHOMPQWOPWRS-UHFFFAOYSA-N 0 3 292.427 2.218 20 30 CEEDHN C=CCCCCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458662906 331256300 /nfs/dbraw/zinc/25/63/00/331256300.db2.gz HDDMNQWCPJEKPT-CQSZACIVSA-N 0 3 279.428 2.468 20 30 CEEDHN C=C(C)CCNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000459000154 331265554 /nfs/dbraw/zinc/26/55/54/331265554.db2.gz MFHWNGWYAQNPIB-ZDUSSCGKSA-N 0 3 253.390 2.077 20 30 CEEDHN CC(C)(CC#N)CNCc1ccc(-n2cncn2)cc1 ZINC000459703484 331295146 /nfs/dbraw/zinc/29/51/46/331295146.db2.gz WHQAUOLUAFECFL-UHFFFAOYSA-N 0 3 269.352 2.297 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)C1CC(C)(C)C1 ZINC000459749732 331298170 /nfs/dbraw/zinc/29/81/70/331298170.db2.gz YPDJEAXIDYTZRT-UHFFFAOYSA-N 0 3 250.386 2.307 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000488383349 332003091 /nfs/dbraw/zinc/00/30/91/332003091.db2.gz XXOGNEWVEPLVRJ-AWEZNQCLSA-N 0 3 275.396 2.278 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)C[C@H]1CCCN1CC ZINC000488737002 332023354 /nfs/dbraw/zinc/02/33/54/332023354.db2.gz WGAAOJAWNVUVTG-CQSZACIVSA-N 0 3 275.396 2.230 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc(C)c(O)c(C)c2)CC1 ZINC000491043573 332142365 /nfs/dbraw/zinc/14/23/65/332142365.db2.gz CYLOXHLKLDGDGS-UHFFFAOYSA-N 0 3 286.375 2.293 20 30 CEEDHN C#C[C@H](CC)NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000491067432 332144627 /nfs/dbraw/zinc/14/46/27/332144627.db2.gz HYGLULSLKQIDGD-MRXNPFEDSA-N 0 3 270.376 2.424 20 30 CEEDHN C#CCN(CCOCCOc1ccccc1)C1CC1 ZINC000491276621 332179370 /nfs/dbraw/zinc/17/93/70/332179370.db2.gz KJIZQKLQSBPVAW-UHFFFAOYSA-N 0 3 259.349 2.180 20 30 CEEDHN C#CCNC(=O)CCN[C@H]1CC(C)(C)c2ccccc21 ZINC000491418077 332208099 /nfs/dbraw/zinc/20/80/99/332208099.db2.gz PONVCZQSWVLQFW-HNNXBMFYSA-N 0 3 270.376 2.138 20 30 CEEDHN C#C[C@H](N[C@@H]1CCN(CCOC)C1)c1ccc(Cl)cc1 ZINC000491484408 332219674 /nfs/dbraw/zinc/21/96/74/332219674.db2.gz ITWRJAWLPSCKDF-CVEARBPZSA-N 0 3 292.810 2.325 20 30 CEEDHN C#CCN1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000491485648 332220509 /nfs/dbraw/zinc/22/05/09/332220509.db2.gz PXXARHLYCDSKHL-UHFFFAOYSA-N 0 3 266.385 2.246 20 30 CEEDHN C#C[C@H](CCC)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000491565653 332238536 /nfs/dbraw/zinc/23/85/36/332238536.db2.gz BDGVTNJVKTVBBE-MRXNPFEDSA-N 0 3 287.407 2.349 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCCC12CCCCC2 ZINC000491615175 332242864 /nfs/dbraw/zinc/24/28/64/332242864.db2.gz BQWICVWXYOOFDE-UHFFFAOYSA-N 0 3 291.439 2.450 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)NCCCN(C)Cc1ccccc1 ZINC000491616973 332243904 /nfs/dbraw/zinc/24/39/04/332243904.db2.gz ATTIRQVUWPRVPJ-HNNXBMFYSA-N 0 3 287.407 2.172 20 30 CEEDHN C#C[C@H](CC)NCc1ccc(OCC(=O)OCC)cc1 ZINC000491631120 332253712 /nfs/dbraw/zinc/25/37/12/332253712.db2.gz PZECLYJPQBGMJG-CQSZACIVSA-N 0 3 275.348 2.130 20 30 CEEDHN C#C[C@H](CC)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000491732665 332313998 /nfs/dbraw/zinc/31/39/98/332313998.db2.gz ASLSSLNMPDIBRN-HUUCEWRRSA-N 0 3 258.365 2.207 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000491742918 332321129 /nfs/dbraw/zinc/32/11/29/332321129.db2.gz VWDNFKQIORCEJJ-IAGOWNOFSA-N 0 3 288.435 2.274 20 30 CEEDHN C#CCN(C)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000491744216 332322228 /nfs/dbraw/zinc/32/22/28/332322228.db2.gz VQJDLKYSTJBROH-SFHVURJKSA-N 0 3 299.418 2.316 20 30 CEEDHN C#CCN1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000491759698 332331132 /nfs/dbraw/zinc/33/11/32/332331132.db2.gz OABKCJRYQIYLKY-CYBMUJFWSA-N 0 3 266.385 2.246 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC(C)(C)[C@H]1C(C)C ZINC000491767325 332335014 /nfs/dbraw/zinc/33/50/14/332335014.db2.gz IKVMIPSZDVWAKO-CQSZACIVSA-N 0 3 279.428 2.018 20 30 CEEDHN C#CCN(C)CCCNC(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000491784530 332347765 /nfs/dbraw/zinc/34/77/65/332347765.db2.gz PYHBLOOYRQMSQF-AWEZNQCLSA-N 0 3 279.428 2.160 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000491790200 332352186 /nfs/dbraw/zinc/35/21/86/332352186.db2.gz XSDRVNAVQLYXFW-ZDUSSCGKSA-N 0 3 270.376 2.354 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)/C=C/C2CCOCC2)CC1 ZINC000491840058 332371554 /nfs/dbraw/zinc/37/15/54/332371554.db2.gz BAWVSILKXCNNRS-ONEGZZNKSA-N 0 3 292.423 2.126 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C\c2ccc(O)cc2)CC1 ZINC000492597039 332405065 /nfs/dbraw/zinc/40/50/65/332405065.db2.gz ZDDDJVXGGBMBEY-TWGQIWQCSA-N 0 3 298.386 2.009 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C/c2cccnc2C)CC1 ZINC000492997091 332422049 /nfs/dbraw/zinc/42/20/49/332422049.db2.gz WQPCEMDJRSSKAD-VOTSOKGWSA-N 0 3 285.391 2.170 20 30 CEEDHN COc1cccc(C[C@@H]2CCCN2C(=O)C(C)C#N)c1 ZINC000522983872 333303024 /nfs/dbraw/zinc/30/30/24/333303024.db2.gz OOGKRGSEVRVYNI-OCCSQVGLSA-N 0 3 272.348 2.388 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000529370338 333483736 /nfs/dbraw/zinc/48/37/36/333483736.db2.gz ZJBWYSKGDFHKKX-KBPBESRZSA-N 0 3 277.412 2.402 20 30 CEEDHN Cc1ccccc1OC[C@H](O)CN1CCC(CC#N)CC1 ZINC000541951656 333803907 /nfs/dbraw/zinc/80/39/07/333803907.db2.gz GUJBIMASIXWRNK-MRXNPFEDSA-N 0 3 288.391 2.360 20 30 CEEDHN C=CCNC(=O)CN1CCN(C[C@@H](CC)CCCC)CC1 ZINC000544855825 333949449 /nfs/dbraw/zinc/94/94/49/333949449.db2.gz YMAIGMVQOKBBKD-INIZCTEOSA-N 0 3 295.471 2.123 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000546637435 334042814 /nfs/dbraw/zinc/04/28/14/334042814.db2.gz GKEWJCODZHXCDC-OLZOCXBDSA-N 0 3 295.345 2.339 20 30 CEEDHN CC(C#N)C(=O)NC1CC(OCc2ccccc2)C1 ZINC000546654894 334043711 /nfs/dbraw/zinc/04/37/11/334043711.db2.gz WWOQGJYNOQPRRB-XGNXJENSSA-N 0 3 258.321 2.010 20 30 CEEDHN CC[C@@H](CC#N)NCCCNC(=O)OC(C)(C)C ZINC000135301712 334124736 /nfs/dbraw/zinc/12/47/36/334124736.db2.gz FFMCBQJCLUALGQ-NSHDSACASA-N 0 3 255.362 2.183 20 30 CEEDHN COC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000548755983 334170075 /nfs/dbraw/zinc/17/00/75/334170075.db2.gz XMHLXGROLGRBNL-CVEARBPZSA-N 0 3 299.374 2.028 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](C)C[C@H](C)C1 ZINC000246729160 334268420 /nfs/dbraw/zinc/26/84/20/334268420.db2.gz OPFLWQQVOHBSJH-IJEWVQPXSA-N 0 3 279.428 2.409 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)C#N ZINC000248890047 334321148 /nfs/dbraw/zinc/32/11/48/334321148.db2.gz SOQGJQBVADKWSH-UKRRQHHQSA-N 0 3 285.391 2.173 20 30 CEEDHN C=CCN(CC=C)Cc1ccc(-n2cncn2)cc1 ZINC000158140168 334793605 /nfs/dbraw/zinc/79/36/05/334793605.db2.gz PPKVSEAITYYTGB-UHFFFAOYSA-N 0 3 254.337 2.441 20 30 CEEDHN C=C(C)COCCNCc1c(CC)nn(C)c1CC ZINC000163273410 334794286 /nfs/dbraw/zinc/79/42/86/334794286.db2.gz NCXPBQXNMVBLNV-UHFFFAOYSA-N 0 3 265.401 2.227 20 30 CEEDHN CC(C)OC(=O)CCN1CCC(CCC#N)CC1 ZINC000568997304 334850342 /nfs/dbraw/zinc/85/03/42/334850342.db2.gz KYALASGNDXLYNS-UHFFFAOYSA-N 0 3 252.358 2.344 20 30 CEEDHN N#CCc1ccc(CN2CCN(C3CC3)CC2)cc1 ZINC000342653439 335184622 /nfs/dbraw/zinc/18/46/22/335184622.db2.gz ABPRFGQXEVSOGL-UHFFFAOYSA-N 0 3 255.365 2.033 20 30 CEEDHN COC(=O)[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000343542981 335208646 /nfs/dbraw/zinc/20/86/46/335208646.db2.gz WMSQBTKKGAEPNL-OAHLLOKOSA-N 0 3 272.348 2.138 20 30 CEEDHN C=CCCC(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000577209849 335323256 /nfs/dbraw/zinc/32/32/56/335323256.db2.gz DHGQQVXCSPBTHV-UHFFFAOYSA-N 0 3 275.396 2.328 20 30 CEEDHN CN(C)[C@@H](CNC[C@H](C#N)CCC#N)Cc1ccccc1 ZINC000577484145 335357257 /nfs/dbraw/zinc/35/72/57/335357257.db2.gz GLOAQSZGJFWWPE-DLBZAZTESA-N 0 3 284.407 2.192 20 30 CEEDHN C=CC[C@H](CO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577625293 335381111 /nfs/dbraw/zinc/38/11/11/335381111.db2.gz DSDUOKLABBKZNT-ZWNOBZJWSA-N 0 3 262.309 2.109 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)CSC)CC1 ZINC000180983444 335746972 /nfs/dbraw/zinc/74/69/72/335746972.db2.gz WBFCBHLVVYUDOT-LBPRGKRZSA-N 0 3 285.457 2.078 20 30 CEEDHN C=C(C)Cn1c(CC)nnc1N1CCN([C@H](C)CC)CC1 ZINC000581411485 336071760 /nfs/dbraw/zinc/07/17/60/336071760.db2.gz RSCNHQRBCFZSHM-CQSZACIVSA-N 0 3 291.443 2.337 20 30 CEEDHN C=CC(C)(C)CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000384954695 336135016 /nfs/dbraw/zinc/13/50/16/336135016.db2.gz MHUISJWWMSTKCV-UHFFFAOYSA-N 0 3 292.404 2.134 20 30 CEEDHN COc1cccc([C@@H](CNc2cncc(C#N)n2)N(C)C)c1 ZINC000401317913 533720420 /nfs/dbraw/zinc/72/04/20/533720420.db2.gz DUFVISTWTWXBNE-OAHLLOKOSA-N 0 3 297.362 2.072 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)[C@@H](C)CC(C)C ZINC000451677803 517341710 /nfs/dbraw/zinc/34/17/10/517341710.db2.gz VQUHXSFYYHNDGU-ZNMIVQPWSA-N 0 3 282.428 2.203 20 30 CEEDHN C[C@H](C#N)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000347082973 534285076 /nfs/dbraw/zinc/28/50/76/534285076.db2.gz YTFIBVLVVVISDU-IPYPFGDCSA-N 0 3 271.364 2.098 20 30 CEEDHN Cc1cccc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)c1 ZINC000180878875 518190684 /nfs/dbraw/zinc/19/06/84/518190684.db2.gz RPCRJQDIZZYQNY-WPCFGXOUSA-N 0 3 299.374 2.172 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000067141511 518268223 /nfs/dbraw/zinc/26/82/23/518268223.db2.gz RMHBOBMNKXFISO-UHFFFAOYSA-N 0 3 278.302 2.249 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000069016665 518271238 /nfs/dbraw/zinc/27/12/38/518271238.db2.gz CTLAKDUBRHRDMY-HNNXBMFYSA-N 0 3 285.391 2.462 20 30 CEEDHN C#CCSCCNCc1ccc([N+](=O)[O-])cc1C ZINC000183481131 518337940 /nfs/dbraw/zinc/33/79/40/518337940.db2.gz QJRBNACSEQOFSQ-UHFFFAOYSA-N 0 3 264.350 2.359 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](C)CC1 ZINC000068837948 518762006 /nfs/dbraw/zinc/76/20/06/518762006.db2.gz RHRPRNPWGRBATK-AWEZNQCLSA-N 0 3 250.386 2.309 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(C)s1 ZINC000049183701 518922831 /nfs/dbraw/zinc/92/28/31/518922831.db2.gz DQKIOPCSUXTCAQ-QWRGUYRKSA-N 0 3 252.383 2.398 20 30 CEEDHN C=CCS(=O)(=O)CC[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000279970061 519074118 /nfs/dbraw/zinc/07/41/18/519074118.db2.gz CXAIUUYGVGBWKY-AWEZNQCLSA-N 0 3 297.420 2.342 20 30 CEEDHN Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)C(C)C#N ZINC000336603259 534690747 /nfs/dbraw/zinc/69/07/47/534690747.db2.gz YUJRBSMOXSJOLI-TZMCWYRMSA-N 0 3 296.374 2.495 20 30 CEEDHN Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)C(C)C#N ZINC000347072228 534800888 /nfs/dbraw/zinc/80/08/88/534800888.db2.gz PIPIULIWXRRHJB-JTQLQIEISA-N 0 3 286.310 2.096 20 30 CEEDHN C=CCN(CCc1ccco1)C(=O)NC1CCN(C)CC1 ZINC000353701660 526318527 /nfs/dbraw/zinc/31/85/27/526318527.db2.gz MONVUYVDLQNVOF-UHFFFAOYSA-N 0 3 291.395 2.114 20 30 CEEDHN C=CCN1CCC(NCc2ccc(COC)o2)CC1 ZINC000344240683 526451863 /nfs/dbraw/zinc/45/18/63/526451863.db2.gz QUAHELXPHBOXMG-UHFFFAOYSA-N 0 3 264.369 2.166 20 30 CEEDHN N#Cc1ccc(CN2CCC(c3nc[nH]n3)CC2)cc1F ZINC000364713970 526611331 /nfs/dbraw/zinc/61/13/31/526611331.db2.gz BILKBEHEGUOAJA-UHFFFAOYSA-N 0 3 285.326 2.195 20 30 CEEDHN C#CCCN1C[C@@H](C(=O)OC)C[C@@H](c2ccccc2)C1 ZINC000366881263 526729229 /nfs/dbraw/zinc/72/92/29/526729229.db2.gz PLPMPOOYMHQHGR-CVEARBPZSA-N 0 3 271.360 2.288 20 30 CEEDHN CC(C)(CCC#N)CN1CCSC[C@H]1CCO ZINC000355077099 526985778 /nfs/dbraw/zinc/98/57/78/526985778.db2.gz DUXRDUPDKCHDDB-GFCCVEGCSA-N 0 3 256.415 2.116 20 30 CEEDHN C=CCCCCCN1CCN([C@@H](CC)C(=O)OC)CC1 ZINC000352656698 527134660 /nfs/dbraw/zinc/13/46/60/527134660.db2.gz CIHVJFPWWLWAEW-HNNXBMFYSA-N 0 3 282.428 2.302 20 30 CEEDHN C=CCc1cc(CN2CCN(C)C[C@H]2C)cc(OC)c1O ZINC000353587856 527237142 /nfs/dbraw/zinc/23/71/42/527237142.db2.gz BQNWOOQOQWKFDS-CYBMUJFWSA-N 0 3 290.407 2.265 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344733911 527373808 /nfs/dbraw/zinc/37/38/08/527373808.db2.gz WHIUEBOGLBTIDF-CABCVRRESA-N 0 3 294.439 2.300 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC000329182549 528232208 /nfs/dbraw/zinc/23/22/08/528232208.db2.gz FFRPCWVBKMEZBZ-NWDGAFQWSA-N 0 3 267.373 2.326 20 30 CEEDHN CC(C)C[C@@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000404099109 528345002 /nfs/dbraw/zinc/34/50/02/528345002.db2.gz DOVQGGZVWLDPPN-ZDUSSCGKSA-N 0 3 250.317 2.194 20 30 CEEDHN CCN(CCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CC1 ZINC000411873064 528500633 /nfs/dbraw/zinc/50/06/33/528500633.db2.gz WZVSOPASOHOPOB-DLBZAZTESA-N 0 3 297.402 2.262 20 30 CEEDHN CCOc1ccc([C@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347038436 528605115 /nfs/dbraw/zinc/60/51/15/528605115.db2.gz PAXDPLLTRGWZCN-QWRGUYRKSA-N 0 3 276.336 2.431 20 30 CEEDHN CC(C)[C@H](C(=O)N[C@@H]1CCCN(C)C1=O)N1CCCCC1 ZINC000330044056 528896089 /nfs/dbraw/zinc/89/60/89/528896089.db2.gz APPJCLMOTCZUBU-ZIAGYGMSSA-N 0 3 295.427 2.074 20 30 CEEDHN CCN(CCNC(=S)Nc1ccccc1C#N)C1CC1 ZINC000726132183 574424284 /nfs/dbraw/zinc/42/42/84/574424284.db2.gz GZMLYBKCODQAEB-UHFFFAOYSA-N 0 3 288.420 2.329 20 30 CEEDHN C#Cc1ccc(C(=O)N(CCN(C)C)C2CCCCC2)cn1 ZINC000728821544 574471177 /nfs/dbraw/zinc/47/11/77/574471177.db2.gz LZWYRWAICXUJFE-UHFFFAOYSA-N 0 3 299.418 2.399 20 30 CEEDHN C#Cc1ccc(C(=O)NCc2cccc(CN(C)C)c2)nc1 ZINC000728860985 574472771 /nfs/dbraw/zinc/47/27/71/574472771.db2.gz FFRIRUYJUQRZPP-UHFFFAOYSA-N 0 3 293.370 2.055 20 30 CEEDHN C=CCN1CCC(NC(=S)NCc2ccccc2)CC1 ZINC000729942342 574496815 /nfs/dbraw/zinc/49/68/15/574496815.db2.gz KQAWSSZXLGWXDD-UHFFFAOYSA-N 0 3 289.448 2.301 20 30 CEEDHN C#CCNC(=S)NC[C@@H](c1ccsc1)N(CC)CC ZINC000758187520 574514683 /nfs/dbraw/zinc/51/46/83/574514683.db2.gz DGNDDDMMTAQXBR-ZDUSSCGKSA-N 0 3 295.477 2.228 20 30 CEEDHN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(C)o1 ZINC000753934692 574520113 /nfs/dbraw/zinc/52/01/13/574520113.db2.gz JUYYPFPZDHSWBA-RYUDHWBXSA-N 0 3 260.341 2.172 20 30 CEEDHN CCCN(CCN1CCOC1=O)Cc1ccc(C#N)cc1 ZINC000731103693 574588933 /nfs/dbraw/zinc/58/89/33/574588933.db2.gz DUBQNEOLSYLGNO-UHFFFAOYSA-N 0 3 287.363 2.222 20 30 CEEDHN C=C(C)CNC(=S)NCCN1CCCC[C@@H]1CC ZINC000733210169 574657591 /nfs/dbraw/zinc/65/75/91/574657591.db2.gz SUBLOCHHYZZKFT-ZDUSSCGKSA-N 0 3 269.458 2.291 20 30 CEEDHN C#Cc1ccc(C(=O)NCCN2CCCC[C@@H]2CC)nc1 ZINC000733273156 574660781 /nfs/dbraw/zinc/66/07/81/574660781.db2.gz OJHDTKOLBSDLMN-HNNXBMFYSA-N 0 3 285.391 2.057 20 30 CEEDHN CCCN(CCO)Cc1cc(Cl)ccc1OCC#N ZINC000735308872 574752159 /nfs/dbraw/zinc/75/21/59/574752159.db2.gz WTADBKJDWVLTTI-UHFFFAOYSA-N 0 3 282.771 2.447 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CCCOC3)nc21 ZINC000735791622 574766588 /nfs/dbraw/zinc/76/65/88/574766588.db2.gz AGLGXARKJIXPLU-RYUDHWBXSA-N 0 3 283.331 2.474 20 30 CEEDHN C=C(Cl)CNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000736400005 574786144 /nfs/dbraw/zinc/78/61/44/574786144.db2.gz HPCCGCXUHVYYOI-NWDGAFQWSA-N 0 3 273.808 2.301 20 30 CEEDHN C[C@@H]1CC(=NNC(=S)NCc2ccccc2)CCN1C ZINC000741456880 574987412 /nfs/dbraw/zinc/98/74/12/574987412.db2.gz KBXMFPKFOFUXMM-GFCCVEGCSA-N 0 3 290.436 2.121 20 30 CEEDHN C[C@H](CNC(=O)C#Cc1ccccc1)N1CCCC[C@@H]1C ZINC000747358217 575169744 /nfs/dbraw/zinc/16/97/44/575169744.db2.gz BHADMMBGSLTPIK-JKSUJKDBSA-N 0 3 284.403 2.417 20 30 CEEDHN N#Cc1csc(CNCCOc2cccnc2)c1 ZINC000748099477 575178354 /nfs/dbraw/zinc/17/83/54/575178354.db2.gz OTINIMVNVQXRMR-UHFFFAOYSA-N 0 3 259.334 2.183 20 30 CEEDHN CO[C@@H](C)CC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000750393130 575261089 /nfs/dbraw/zinc/26/10/89/575261089.db2.gz YILJANWIRDTELK-UWVGGRQHSA-N 0 3 294.738 2.412 20 30 CEEDHN C#CCOCCN[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000753770991 575340716 /nfs/dbraw/zinc/34/07/16/575340716.db2.gz UEPLJMWMSNVSEU-AWEZNQCLSA-N 0 3 277.364 2.394 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)C1CC(F)(F)C1 ZINC000753803075 575343130 /nfs/dbraw/zinc/34/31/30/575343130.db2.gz SWZBEZHQIHISAV-NSHDSACASA-N 0 3 278.258 2.379 20 30 CEEDHN C#CCCCC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823842194 609152497 /nfs/dbraw/zinc/15/24/97/609152497.db2.gz YVZDMGIRYZMOTN-LLVKDONJSA-N 0 3 287.342 2.460 20 30 CEEDHN C#CCCCC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823842194 609152499 /nfs/dbraw/zinc/15/24/99/609152499.db2.gz YVZDMGIRYZMOTN-LLVKDONJSA-N 0 3 287.342 2.460 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)Cc2ccc(C)cc2Cl)C1 ZINC000969122333 612961551 /nfs/dbraw/zinc/96/15/51/612961551.db2.gz GAPPNDAJWPZSIA-CQSZACIVSA-N 0 3 290.794 2.015 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC000970440359 612962480 /nfs/dbraw/zinc/96/24/80/612962480.db2.gz WLPVXIBTTXVGFP-DZGCQCFKSA-N 0 3 296.370 2.360 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC000970380312 612964082 /nfs/dbraw/zinc/96/40/82/612964082.db2.gz XINQIGRQIZGKJA-CQSZACIVSA-N 0 3 295.386 2.222 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C(F)F)c(F)c2)C1 ZINC000969938679 612965411 /nfs/dbraw/zinc/96/54/11/612965411.db2.gz ZEIJQQOFYZDCRW-LLVKDONJSA-N 0 3 296.292 2.201 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(CC)c(CC)c2)C1 ZINC000970901530 612965477 /nfs/dbraw/zinc/96/54/77/612965477.db2.gz PWUZKZBDZSRWGL-QGZVFWFLSA-N 0 3 284.403 2.249 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)C2CCC3(CC3)CC2)C1 ZINC000970170450 612993838 /nfs/dbraw/zinc/99/38/38/612993838.db2.gz RVDCZXGHBPMWQW-CQSZACIVSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)C2=CCCCCC2)C1 ZINC000969555578 612993860 /nfs/dbraw/zinc/99/38/60/612993860.db2.gz SMRHKMARCVRRCE-CQSZACIVSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000970501479 612997444 /nfs/dbraw/zinc/99/74/44/612997444.db2.gz SYFRCWZCPWGJGT-ZDUSSCGKSA-N 0 3 295.386 2.241 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccnc(CCC)c2)C1 ZINC000969894576 612997984 /nfs/dbraw/zinc/99/79/84/612997984.db2.gz CPBWCCZJKOVAPN-AWEZNQCLSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCCN1CCCN(C(=O)CC2CC(C)(C)C2)CC1 ZINC000981814112 613002577 /nfs/dbraw/zinc/00/25/77/613002577.db2.gz YDPFVVREBTYRLC-UHFFFAOYSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H]2CCCC2(C)C)CC1 ZINC000981783573 613004460 /nfs/dbraw/zinc/00/44/60/613004460.db2.gz LFBKOMJWRUDULB-OAHLLOKOSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965991709 613013439 /nfs/dbraw/zinc/01/34/39/613013439.db2.gz VUIBXMMOCZPDHF-HIFRSBDPSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2CCCC2)C1 ZINC000964624173 613015266 /nfs/dbraw/zinc/01/52/66/613015266.db2.gz QCXDZDJXNBDZFV-UKRRQHHQSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2C=CC=CC=C2)C1 ZINC000966460996 613015318 /nfs/dbraw/zinc/01/53/18/613015318.db2.gz WQHJIUMLIYCNDY-NVXWUHKLSA-N 0 3 284.403 2.135 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(CC)ccn2)C1 ZINC000966323881 613022901 /nfs/dbraw/zinc/02/29/01/613022901.db2.gz IWLJWQBJWASFNA-YOEHRIQHSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC000966632406 613024554 /nfs/dbraw/zinc/02/45/54/613024554.db2.gz KPIRVLCHYKDMQE-XJKSGUPXSA-N 0 3 299.418 2.356 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC000968485333 613024572 /nfs/dbraw/zinc/02/45/72/613024572.db2.gz ZLDBVIJDUWUPTK-SUMWQHHRSA-N 0 3 299.418 2.356 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccccc2F)C1 ZINC000964747226 613025055 /nfs/dbraw/zinc/02/50/55/613025055.db2.gz VBRITDGQZBEYFK-XJKSGUPXSA-N 0 3 288.366 2.289 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C2(C)CCCC2)C(C)(C)C1 ZINC000974875678 613030904 /nfs/dbraw/zinc/03/09/04/613030904.db2.gz BECUFGIUHJXQRM-CQSZACIVSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C(C)(C)C1 ZINC000974846912 613031942 /nfs/dbraw/zinc/03/19/42/613031942.db2.gz WWTQEKLGATVLQF-CKEIUWERSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2CC23CCCC3)C(C)(C)C1 ZINC000977443384 613032148 /nfs/dbraw/zinc/03/21/48/613032148.db2.gz CIFPIENLPPAUBL-HUUCEWRRSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2c(C)coc2C)C(C)(C)C1 ZINC000974546074 613032483 /nfs/dbraw/zinc/03/24/83/613032483.db2.gz KOJWWYBTOSBVMT-CQSZACIVSA-N 0 3 288.391 2.360 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccncc2CC)C(C)(C)C1 ZINC000974754979 613033079 /nfs/dbraw/zinc/03/30/79/613033079.db2.gz HZOQSZMKDXTBDV-MRXNPFEDSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc(Cl)o2)CC1 ZINC000948192329 613163420 /nfs/dbraw/zinc/16/34/20/613163420.db2.gz OHEMUZBQGUKQAK-GFCCVEGCSA-N 0 3 294.782 2.493 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)C2(F)CCCC2)CC1 ZINC000948566655 613177648 /nfs/dbraw/zinc/17/76/48/613177648.db2.gz QFBDCWLCUICVCG-AWEZNQCLSA-N 0 3 280.387 2.215 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)CC2CCC2)CC1 ZINC000948258608 613177763 /nfs/dbraw/zinc/17/77/63/613177763.db2.gz YXIDEEJJYYVGGT-HNNXBMFYSA-N 0 3 262.397 2.123 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2csnc2C)CC1 ZINC000948316225 613179761 /nfs/dbraw/zinc/17/97/61/613179761.db2.gz LSPVYDQZDZCKBM-ZDUSSCGKSA-N 0 3 291.420 2.011 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCCCCN2CC=C)cn1 ZINC000969122154 613180578 /nfs/dbraw/zinc/18/05/78/613180578.db2.gz YIOAHRSPZUFBDQ-QGZVFWFLSA-N 0 3 297.402 2.223 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H]2CN(CC(=C)C)CC2(C)C)cn1 ZINC000977519756 613191491 /nfs/dbraw/zinc/19/14/91/613191491.db2.gz YUKBPPUJSHNPGM-INIZCTEOSA-N 0 3 297.402 2.079 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)C2CCC2)C[C@H]1C ZINC000947581123 613222254 /nfs/dbraw/zinc/22/22/54/613222254.db2.gz OJTQDGRLWUNVFU-UKRRQHHQSA-N 0 3 276.424 2.415 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C2(C)CCCC2)[C@@H](C)C1 ZINC000942540520 613223192 /nfs/dbraw/zinc/22/31/92/613223192.db2.gz LTEXDCBVXNKQBW-UONOGXRCSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](C)C1 ZINC000941755749 613224076 /nfs/dbraw/zinc/22/40/76/613224076.db2.gz MPHRXJARNDYTOY-DZGCQCFKSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C2CCCCCC2)[C@@H](C)C1 ZINC000941882442 613224948 /nfs/dbraw/zinc/22/49/48/613224948.db2.gz LKQOWRJRGVZKDX-GOEBONIOSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@@H](C)C1 ZINC000944809628 613233832 /nfs/dbraw/zinc/23/38/32/613233832.db2.gz FKISDZPMDGYYFV-DZGCQCFKSA-N 0 3 295.386 2.241 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3c(c2)CCC3)C[C@H]1C ZINC000948015694 613236260 /nfs/dbraw/zinc/23/62/60/613236260.db2.gz GWWDSBABVVUDHO-RDTXWAMCSA-N 0 3 296.414 2.391 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccn3ccccc23)[C@H](C)C1 ZINC000942442864 613238880 /nfs/dbraw/zinc/23/88/80/613238880.db2.gz AUYRKFHMUUPNDU-GDBMZVCRSA-N 0 3 295.386 2.013 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2=CCCCCC2)[C@H](C)C1 ZINC000941992475 613257221 /nfs/dbraw/zinc/25/72/21/613257221.db2.gz LRRRZLCUKWHLJZ-ZBFHGGJFSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cc3ccccn3c2)C[C@H]1C ZINC000947770719 613266933 /nfs/dbraw/zinc/26/69/33/613266933.db2.gz BPQOQGNPLAPGEJ-ZBFHGGJFSA-N 0 3 295.386 2.155 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cc(F)ccc2C)C[C@H]1C ZINC000947579981 613267040 /nfs/dbraw/zinc/26/70/40/613267040.db2.gz HOHOYGMTRSNEIU-HIFRSBDPSA-N 0 3 288.366 2.350 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2CC)[C@H](C)C1 ZINC000942579390 613271694 /nfs/dbraw/zinc/27/16/94/613271694.db2.gz GUHJEJCNSDKODA-PBHICJAKSA-N 0 3 284.403 2.322 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000969460753 613298792 /nfs/dbraw/zinc/29/87/92/613298792.db2.gz XZKXRAYFUQWKOS-RZFFKMDDSA-N 0 3 262.397 2.045 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2[nH]c(C)cc2C)C1 ZINC000969974281 613299545 /nfs/dbraw/zinc/29/95/45/613299545.db2.gz VXHXYDDEZIRIKQ-CYBMUJFWSA-N 0 3 275.396 2.258 20 30 CEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCC2(C)C)C1 ZINC000970297991 613302249 /nfs/dbraw/zinc/30/22/49/613302249.db2.gz MEKMIIALEIMCHL-GXTWGEPZSA-N 0 3 264.413 2.435 20 30 CEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC000969688616 613302779 /nfs/dbraw/zinc/30/27/79/613302779.db2.gz WZBVCLZDCRPTRO-BPUTZDHNSA-N 0 3 294.439 2.060 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccoc2)C(C)(C)C1 ZINC000974484148 613341377 /nfs/dbraw/zinc/34/13/77/613341377.db2.gz NKBUXQFIVMXYSA-AWEZNQCLSA-N 0 3 276.380 2.225 20 30 CEEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C(F)F)C[C@@H]2C1 ZINC000979465185 613381627 /nfs/dbraw/zinc/38/16/27/613381627.db2.gz MJPKBPQTZCABSP-HBNTYKKESA-N 0 3 292.757 2.221 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2cc(CC)ccn2)CC1 ZINC000981231472 613496694 /nfs/dbraw/zinc/49/66/94/613496694.db2.gz GSXTZVXVPHZYCJ-UHFFFAOYSA-N 0 3 287.407 2.368 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2cccc(CC)n2)CC1 ZINC000981347527 613497314 /nfs/dbraw/zinc/49/73/14/613497314.db2.gz BVJJYSQABDLRRT-UHFFFAOYSA-N 0 3 287.407 2.368 20 30 CEEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2scnc2C)C1 ZINC000965352795 613516843 /nfs/dbraw/zinc/51/68/43/613516843.db2.gz XARBRLMJGBVQIE-YPMHNXCESA-N 0 3 293.436 2.468 20 30 CEEDHN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2c(C)noc2C)C1 ZINC000965066034 613531737 /nfs/dbraw/zinc/53/17/37/613531737.db2.gz LEPGWZBECKRHBX-SMDDNHRTSA-N 0 3 291.395 2.308 20 30 CEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)CC2CC2)CC1 ZINC000948139713 613557104 /nfs/dbraw/zinc/55/71/04/613557104.db2.gz KGDYSVAUWRRKBT-OAHLLOKOSA-N 0 3 262.397 2.123 20 30 CEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)c2cncs2)CC1 ZINC000948222785 613559002 /nfs/dbraw/zinc/55/90/02/613559002.db2.gz FHQPMHHERMTAQE-CYBMUJFWSA-N 0 3 291.420 2.093 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)C2(C)CCC2)C[C@H]1C ZINC000947623618 613577125 /nfs/dbraw/zinc/57/71/25/613577125.db2.gz BSSXHLXBKXEOQN-ZIAGYGMSSA-N 0 3 262.397 2.169 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)[C@H]2CCC2(F)F)C(C)(C)C1 ZINC000940830126 613581086 /nfs/dbraw/zinc/58/10/86/613581086.db2.gz OFBXUYOXLCAGCV-CHWSQXEVSA-N 0 3 298.377 2.272 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)co2)[C@H](C)C1 ZINC000942572887 613582468 /nfs/dbraw/zinc/58/24/68/613582468.db2.gz ZZADSYUJLVPIBN-ZIAGYGMSSA-N 0 3 274.364 2.052 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)[C@H]2CC23CCC3)C(C)(C)C1 ZINC000941065077 613599371 /nfs/dbraw/zinc/59/93/71/613599371.db2.gz VYVBRLCABVBXEH-CABCVRRESA-N 0 3 288.435 2.417 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)[C@@H]2CC23CCC3)C(C)(C)C1 ZINC000941065078 613599396 /nfs/dbraw/zinc/59/93/96/613599396.db2.gz VYVBRLCABVBXEH-GJZGRUSLSA-N 0 3 288.435 2.417 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)[C@H](C)C2CC2)C(C)(C)C1 ZINC000940655623 613599523 /nfs/dbraw/zinc/59/95/23/613599523.db2.gz QIDRIRDUIDDFDD-HIFRSBDPSA-N 0 3 276.424 2.273 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)cc(C)n2)C[C@H]1C ZINC000947474757 613600954 /nfs/dbraw/zinc/60/09/54/613600954.db2.gz YTZJYTONMRQGSW-CVEARBPZSA-N 0 3 299.418 2.304 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)C2(F)CCCCC2)C1 ZINC000972667094 613610377 /nfs/dbraw/zinc/61/03/77/613610377.db2.gz KEDKOEHPYOGXNB-CYBMUJFWSA-N 0 3 268.376 2.378 20 30 CEEDHN CC#CCN1C[C@]2(C)CN(C(=O)C3(C)CCC3)C[C@]2(C)C1 ZINC000982442718 613617329 /nfs/dbraw/zinc/61/73/29/613617329.db2.gz IMJHNWYTVKBJRE-HDICACEKSA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccn2C(C)C)C1 ZINC000980415512 613622859 /nfs/dbraw/zinc/62/28/59/613622859.db2.gz IXDVWNSGUOJNFQ-CQSZACIVSA-N 0 3 275.396 2.401 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cnc(CC)s2)C1 ZINC000980523199 613623636 /nfs/dbraw/zinc/62/36/36/613623636.db2.gz FHTLDKSMVGUSCX-LLVKDONJSA-N 0 3 279.409 2.038 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2nc(C)c(C)s2)C1 ZINC000980438919 613624179 /nfs/dbraw/zinc/62/41/79/613624179.db2.gz WDFOTNPJSFRYKW-GFCCVEGCSA-N 0 3 279.409 2.092 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000972786782 613627310 /nfs/dbraw/zinc/62/73/10/613627310.db2.gz SSHNIZOGQDUGOC-INIZCTEOSA-N 0 3 272.392 2.338 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)Cc2c(F)cccc2F)C1 ZINC000972195619 613628782 /nfs/dbraw/zinc/62/87/82/613628782.db2.gz NARDCWQFBUSYMA-LBPRGKRZSA-N 0 3 294.345 2.226 20 30 CEEDHN CC#CCN1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CC)[C@@H]2C1 ZINC000978654004 613630467 /nfs/dbraw/zinc/63/04/67/613630467.db2.gz KIDAVHGIZHSVEU-NNZMDNLPSA-N 0 3 296.414 2.180 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c(C)onc2C2CC2)C1 ZINC000971955494 613635118 /nfs/dbraw/zinc/63/51/18/613635118.db2.gz VKAMEORMQULWPA-ZDUSSCGKSA-N 0 3 289.379 2.193 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(COC)cc2)C1 ZINC000980367658 613636704 /nfs/dbraw/zinc/63/67/04/613636704.db2.gz YEAYORPSYWYLGQ-INIZCTEOSA-N 0 3 288.391 2.165 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc(F)c2F)C1 ZINC000972195995 613637686 /nfs/dbraw/zinc/63/76/86/613637686.db2.gz ROOBZGXOBBAVHV-NSHDSACASA-N 0 3 280.318 2.297 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cccc(F)c2)C1 ZINC000971003645 613637964 /nfs/dbraw/zinc/63/79/64/613637964.db2.gz PXCZOTVOTPJMNU-AWEZNQCLSA-N 0 3 262.328 2.158 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2sccc2OC)C1 ZINC000972774246 613641244 /nfs/dbraw/zinc/64/12/44/613641244.db2.gz SHKPKMBBXAYDGN-NSHDSACASA-N 0 3 280.393 2.089 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)C[C@@H]3C=CCC3)C2)C1 ZINC000981612456 613678442 /nfs/dbraw/zinc/67/84/42/613678442.db2.gz SKSLEAZBGWMJCZ-OAHLLOKOSA-N 0 3 274.408 2.453 20 30 CEEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC000968982810 613686268 /nfs/dbraw/zinc/68/62/68/613686268.db2.gz SQPYQFSLBJKKLD-HZSPNIEDSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCN1CCCCC[C@H]1CNC(=O)c1ccc(OC)o1 ZINC000969091140 613686700 /nfs/dbraw/zinc/68/67/00/613686700.db2.gz WIIIYCPNGVJICU-ZDUSSCGKSA-N 0 3 292.379 2.449 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C3CC3)no2)[C@@H](C)C1 ZINC000943252706 613750300 /nfs/dbraw/zinc/75/03/00/613750300.db2.gz CMWFXJVOHJWDJW-WCQYABFASA-N 0 3 289.379 2.178 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(COC)o2)C[C@H]1C ZINC000947529449 613752364 /nfs/dbraw/zinc/75/23/64/613752364.db2.gz RQKOLZCSSPGULK-CHWSQXEVSA-N 0 3 292.379 2.195 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2ccsn2)C(C)(C)C1 ZINC000940830887 613756282 /nfs/dbraw/zinc/75/62/82/613756282.db2.gz YJWPJBMEOUJSGD-GFCCVEGCSA-N 0 3 279.409 2.159 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2ccoc2C)C[C@@H]1C ZINC000947033067 613756632 /nfs/dbraw/zinc/75/66/32/613756632.db2.gz YCLGIOMQNCVVBN-WCQYABFASA-N 0 3 262.353 2.357 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cn(C(C)C)cn2)C[C@@H]1C ZINC000947572574 613756883 /nfs/dbraw/zinc/75/68/83/613756883.db2.gz QDUCVTKRGMJOPW-UONOGXRCSA-N 0 3 290.411 2.233 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cncc3[nH]ccc32)[C@H](C)C1 ZINC000942269916 613758092 /nfs/dbraw/zinc/75/80/92/613758092.db2.gz BDKMUDDHKMBCKN-IUODEOHRSA-N 0 3 298.390 2.189 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2ncccc2CC)[C@H](C)C1 ZINC000942204294 613761477 /nfs/dbraw/zinc/76/14/77/613761477.db2.gz MJBSSTZUAWOWLG-UKRRQHHQSA-N 0 3 287.407 2.270 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2oc(C)nc2C)C[C@H]1C ZINC000947160760 613761963 /nfs/dbraw/zinc/76/19/63/613761963.db2.gz ASPYUTWHVSGBBG-ZWNOBZJWSA-N 0 3 277.368 2.060 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2scnc2CC)C[C@H]1C ZINC000947373417 613762606 /nfs/dbraw/zinc/76/26/06/613762606.db2.gz AHRSXEIVUKCAOF-VXGBXAGGSA-N 0 3 293.436 2.474 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2ocnc2C(F)F)[C@@H](C)C1 ZINC000942821881 613762961 /nfs/dbraw/zinc/76/29/61/613762961.db2.gz HBUNHYSFTZUATG-VHSXEESVSA-N 0 3 299.321 2.238 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cccc(C)n2)[C@@H](C)C1 ZINC000941837089 613791097 /nfs/dbraw/zinc/79/10/97/613791097.db2.gz OPIOTDVSAPFYTM-JSGCOSHPSA-N 0 3 273.380 2.016 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccccc2F)[C@@H](C)C1 ZINC000941737758 613791955 /nfs/dbraw/zinc/79/19/55/613791955.db2.gz JELLQRLTKQIQJN-WFASDCNBSA-N 0 3 276.355 2.452 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cncc(C)c2)C(C)(C)C1 ZINC000940646499 613796625 /nfs/dbraw/zinc/79/66/25/613796625.db2.gz GWZFTCJVEUVXCI-HNNXBMFYSA-N 0 3 287.407 2.406 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cnoc2CC)C(C)(C)C1 ZINC000941071346 613798329 /nfs/dbraw/zinc/79/83/29/613798329.db2.gz IVCGDOMYETVPIM-AWEZNQCLSA-N 0 3 291.395 2.253 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cscn2)C(C)(C)C1 ZINC000940617324 613799594 /nfs/dbraw/zinc/79/95/94/613799594.db2.gz JCROWIFPWISAJG-LBPRGKRZSA-N 0 3 279.409 2.159 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)C[C@H]2C=CCC2)C(C)(C)C1 ZINC000972795824 613806836 /nfs/dbraw/zinc/80/68/36/613806836.db2.gz JXFCTAQIXZAEDL-UONOGXRCSA-N 0 3 262.397 2.355 20 30 CEEDHN C=CCN1C[C@]2(C)CN(C(=O)c3ccsn3)C[C@]2(C)C1 ZINC000982304962 613823943 /nfs/dbraw/zinc/82/39/43/613823943.db2.gz NBGJBVWWJXBTQX-GASCZTMLSA-N 0 3 291.420 2.113 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)c1ccccc1 ZINC000962343301 613839983 /nfs/dbraw/zinc/83/99/83/613839983.db2.gz FCKXVYCOHDTIGP-OJLVUWQFSA-N 0 3 270.376 2.023 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C)nc1C1CC1 ZINC000961387301 613841843 /nfs/dbraw/zinc/84/18/43/613841843.db2.gz KVUGISGSIQPAHF-QLPKVWCKSA-N 0 3 297.402 2.113 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cn(C(C)C)cn2)C1 ZINC001020433835 622580673 /nfs/dbraw/zinc/58/06/73/622580673.db2.gz XWNIINBKYGERIJ-HAQNSBGRSA-N 0 3 296.802 2.067 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001024513080 625592118 /nfs/dbraw/zinc/59/21/18/625592118.db2.gz NCYIFNQDUFDMJZ-HZPDHXFCSA-N 0 3 293.455 2.018 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001020655191 622803542 /nfs/dbraw/zinc/80/35/42/622803542.db2.gz ARHPFFSLKCJTLO-XYPYZODXSA-N 0 3 295.770 2.155 20 30 CEEDHN N#CC(C(=O)C=Cc1ccco1)c1nnc2n1CCCCC2 ZINC000255030867 622807079 /nfs/dbraw/zinc/80/70/79/622807079.db2.gz RKDZYYFGZOJTQM-WSROAFLRSA-N 0 3 296.330 2.487 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)c2cccnc2)C1 ZINC001020941395 622930403 /nfs/dbraw/zinc/93/04/03/622930403.db2.gz KLNAHYXNRHPTAS-MRVWCRGKSA-N 0 3 293.798 2.174 20 30 CEEDHN CC(COC(=O)C[C@@H](CC#N)c1ccccc1)[N+](=O)[O-] ZINC000813101672 623018080 /nfs/dbraw/zinc/01/80/80/623018080.db2.gz GTMYNDYYNGDYGQ-DGCLKSJQSA-N 0 3 276.292 2.282 20 30 CEEDHN C=C(CNC(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC000813622412 623178062 /nfs/dbraw/zinc/17/80/62/623178062.db2.gz HUHWXHZVTONXPK-UHFFFAOYSA-N 0 3 258.365 2.300 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001010753624 623201422 /nfs/dbraw/zinc/20/14/22/623201422.db2.gz LVELGBJAVWJAJJ-HNNXBMFYSA-N 0 3 260.381 2.091 20 30 CEEDHN C#CCN1CCC(C(=O)NC2(C)C(C)(C)C2(C)C)CC1 ZINC000891161651 623209568 /nfs/dbraw/zinc/20/95/68/623209568.db2.gz UGLTWQWYEXWUSR-UHFFFAOYSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000806877083 623316937 /nfs/dbraw/zinc/31/69/37/623316937.db2.gz MUJZYMJNQHDDDN-HNNXBMFYSA-N 0 3 291.370 2.141 20 30 CEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C2(F)CCCC2)C1 ZINC001021620097 623346847 /nfs/dbraw/zinc/34/68/47/623346847.db2.gz PJURBIVKNLVUDK-LSDHHAIUSA-N 0 3 292.398 2.215 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC(C)(F)F)C1 ZINC001021666126 623380742 /nfs/dbraw/zinc/38/07/42/623380742.db2.gz 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/nfs/dbraw/zinc/92/50/87/623925087.db2.gz VOOCIKYNFPETTP-UHFFFAOYSA-N 0 3 270.380 2.326 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001022320741 623956225 /nfs/dbraw/zinc/95/62/25/623956225.db2.gz AGFBAFIHWXFJOC-KSTCHIGDSA-N 0 3 282.815 2.412 20 30 CEEDHN C[C@H](O)C[C@H]1CCCN1Cc1csc(C#N)c1 ZINC000892066929 624290311 /nfs/dbraw/zinc/29/03/11/624290311.db2.gz ZRDRSGOUTOFFQL-CMPLNLGQSA-N 0 3 250.367 2.355 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)c2ccco2)C1 ZINC001022699739 624422085 /nfs/dbraw/zinc/42/20/85/624422085.db2.gz RUUFGEJBBYXGTE-UTUOFQBUSA-N 0 3 282.771 2.372 20 30 CEEDHN C=CC[C@@H]1CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934460356 624510445 /nfs/dbraw/zinc/51/04/45/624510445.db2.gz LOPWUHCCXGBFAB-TZMCWYRMSA-N 0 3 262.309 2.279 20 30 CEEDHN C#C[C@@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000820411632 634400168 /nfs/dbraw/zinc/40/01/68/634400168.db2.gz GYQCKDGAAFLNFN-RISCZKNCSA-N 0 3 293.798 2.264 20 30 CEEDHN C#C[C@H](C)NC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000820417498 634402825 /nfs/dbraw/zinc/40/28/25/634402825.db2.gz ZDEZMZHDVMOGGW-RDJZCZTQSA-N 0 3 299.418 2.314 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2c(C)nsc2C)C1 ZINC001023137536 624947455 /nfs/dbraw/zinc/94/74/55/624947455.db2.gz LMLWNIJXHVBCRU-PHIMTYICSA-N 0 3 299.827 2.363 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(Cl)o2)C1 ZINC001023237195 624969369 /nfs/dbraw/zinc/96/93/69/624969369.db2.gz NGWTXXLGQZLHLS-LBPRGKRZSA-N 0 3 294.782 2.398 20 30 CEEDHN C=CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001023240979 624971682 /nfs/dbraw/zinc/97/16/82/624971682.db2.gz VMFSSMYSFCJAPG-ZDUSSCGKSA-N 0 3 274.364 2.020 20 30 CEEDHN C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001023240979 624971684 /nfs/dbraw/zinc/97/16/84/624971684.db2.gz VMFSSMYSFCJAPG-ZDUSSCGKSA-N 0 3 274.364 2.020 20 30 CEEDHN C=CCN1CCC[C@@H](CNC(=O)c2csc(C)n2)C1 ZINC001023552644 625041899 /nfs/dbraw/zinc/04/18/99/625041899.db2.gz JLXACSDOQOQCHR-LBPRGKRZSA-N 0 3 279.409 2.079 20 30 CEEDHN C=CCN1CCC[C@@H](CNC(=O)c2coc(C3CC3)n2)C1 ZINC001023634206 625085673 /nfs/dbraw/zinc/08/56/73/625085673.db2.gz DUNFNFXTALRXEJ-LBPRGKRZSA-N 0 3 289.379 2.180 20 30 CEEDHN C=CCN1CCC[C@@H](CNC(=O)c2oc(CC)nc2C)C1 ZINC001023688544 625123912 /nfs/dbraw/zinc/12/39/12/625123912.db2.gz YXMKZSOTSQQMJY-ZDUSSCGKSA-N 0 3 291.395 2.173 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)C2CCC=CCC2)C1 ZINC001023751889 625182678 /nfs/dbraw/zinc/18/26/78/625182678.db2.gz RMIKONOJESURLP-OAHLLOKOSA-N 0 3 274.408 2.194 20 30 CEEDHN CCC(=O)N1CCC[C@H](CNCc2ccccc2C#N)C1 ZINC001023781235 625213591 /nfs/dbraw/zinc/21/35/91/625213591.db2.gz IFUYNQBYANSIKN-CQSZACIVSA-N 0 3 285.391 2.296 20 30 CEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001024616057 625722101 /nfs/dbraw/zinc/72/21/01/625722101.db2.gz OZWJRQRYKQUEKC-FXUDXRNXSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001024635754 625733019 /nfs/dbraw/zinc/73/30/19/625733019.db2.gz 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/nfs/dbraw/zinc/38/96/85/627389685.db2.gz CWMAVAVWXYFODY-HUUCEWRRSA-N 0 3 274.408 2.265 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(F)c2)C1 ZINC001025310927 627625094 /nfs/dbraw/zinc/62/50/94/627625094.db2.gz JRKSMPVCOGBILY-UKRRQHHQSA-N 0 3 288.366 2.289 20 30 CEEDHN C#C[C@@H](NCc1ccc(C(=O)OC)c(F)c1)C(C)C ZINC000311269210 627626153 /nfs/dbraw/zinc/62/61/53/627626153.db2.gz SGIBCYYLXFLVFY-CQSZACIVSA-N 0 3 263.312 2.360 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccoc2)C1 ZINC001025334201 627637833 /nfs/dbraw/zinc/63/78/33/627637833.db2.gz GEXKXWOHTQYVKE-UONOGXRCSA-N 0 3 274.364 2.133 20 30 CEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc(C)n2)C1 ZINC001025343970 627647241 /nfs/dbraw/zinc/64/72/41/627647241.db2.gz LWRWAUWWVLRDHG-HOTGVXAUSA-N 0 3 299.418 2.244 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2coc(C)c2)C1 ZINC001025393901 627672509 /nfs/dbraw/zinc/67/25/09/627672509.db2.gz INSKXQHBNLBFCT-ZIAGYGMSSA-N 0 3 274.364 2.052 20 30 CEEDHN C=CC(C)(C)CCCNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000892694332 627673707 /nfs/dbraw/zinc/67/37/07/627673707.db2.gz GVAURHZKBXRESB-CHWSQXEVSA-N 0 3 267.417 2.371 20 30 CEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2[nH]ccc2C)C1 ZINC001025411210 627681634 /nfs/dbraw/zinc/68/16/34/627681634.db2.gz DHIJUBRAECCAKB-CABCVRRESA-N 0 3 287.407 2.177 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc3occc3[nH]2)C1 ZINC001025434318 627692245 /nfs/dbraw/zinc/69/22/45/627692245.db2.gz VNIGMTVVMXVQII-OLZOCXBDSA-N 0 3 299.374 2.224 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001007641428 627696237 /nfs/dbraw/zinc/69/62/37/627696237.db2.gz AASRWHIXHJAKNH-ISXOHVOVSA-N 0 3 274.408 2.171 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[C@H]1C ZINC001025802015 627887289 /nfs/dbraw/zinc/88/72/89/627887289.db2.gz KANQYWQLNQJQMP-FAHYXWLWSA-N 0 3 262.397 2.045 20 30 CEEDHN CCCCCCCS(=O)(=O)N1CCC[C@@H](N(C)C)C1 ZINC000195240468 628529264 /nfs/dbraw/zinc/52/92/64/628529264.db2.gz WIFDOGBKILMBAV-CQSZACIVSA-N 0 3 290.473 2.313 20 30 CEEDHN C#CCN(CC)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000893976225 629071098 /nfs/dbraw/zinc/07/10/98/629071098.db2.gz OVTUYISVQVVPNL-LLVKDONJSA-N 0 3 290.354 2.490 20 30 CEEDHN C=CCCCCNC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000894262598 629275649 /nfs/dbraw/zinc/27/56/49/629275649.db2.gz ZDBXMQYXHSWGAD-UONOGXRCSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCCC[C@H]1NC(=O)N(C[C@H]2CCN2C(C)(C)C)C1=O ZINC000924978308 629316712 /nfs/dbraw/zinc/31/67/12/629316712.db2.gz GHHIUPYWAZGESJ-CHWSQXEVSA-N 0 3 293.411 2.136 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCCOC)o1 ZINC000894738253 629617132 /nfs/dbraw/zinc/61/71/32/629617132.db2.gz LTWLUOVRGVBSPL-KGLIPLIRSA-N 0 3 281.352 2.128 20 30 CEEDHN C#C[C@@H](NCc1cc(C(=O)OC)c(CC)[nH]1)C(C)C ZINC000894738655 629617389 /nfs/dbraw/zinc/61/73/89/629617389.db2.gz WTYGYLFLBBXDMB-CYBMUJFWSA-N 0 3 262.353 2.111 20 30 CEEDHN C#C[C@@H](NCc1ccc2[nH]c(=O)[nH]c2c1)C(C)(C)C ZINC000894784211 629641367 /nfs/dbraw/zinc/64/13/67/629641367.db2.gz IHIFZQBMJGLPPW-CYBMUJFWSA-N 0 3 257.337 2.406 20 30 CEEDHN CSc1nc(NCC#CCN(C)C)cc(C(F)F)n1 ZINC000894875603 629709898 /nfs/dbraw/zinc/70/98/98/629709898.db2.gz FCQKEOJZQLTCDL-UHFFFAOYSA-N 0 3 286.351 2.113 20 30 CEEDHN Cc1cc2nc(NCC#CCN(C)C)c3ccccc3n2n1 ZINC000894876879 629712441 /nfs/dbraw/zinc/71/24/41/629712441.db2.gz WQVLIGBKDYEOTJ-UHFFFAOYSA-N 0 3 293.374 2.168 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cc2c(ccnc2Cl)o1 ZINC000895103093 629900756 /nfs/dbraw/zinc/90/07/56/629900756.db2.gz MAVAJGAHKXVULY-JTQLQIEISA-N 0 3 278.739 2.345 20 30 CEEDHN C=CCCCN(CC)CN1C[C@](C)(COC)CC1=O ZINC000902668570 634775949 /nfs/dbraw/zinc/77/59/49/634775949.db2.gz CQOUDFSEWYTYBU-OAHLLOKOSA-N 0 3 268.401 2.117 20 30 CEEDHN O=C1[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)CCCN1[O-] ZINC000895157436 629973999 /nfs/dbraw/zinc/97/39/99/629973999.db2.gz CKOMHUDQTVWTGE-PESDSKBTSA-N 0 3 296.411 2.227 20 30 CEEDHN Cc1ccc([C@H](C)C[NH2+][C@@H]2CCCN([O-])C2=O)cc1 ZINC000895157732 629974109 /nfs/dbraw/zinc/97/41/09/629974109.db2.gz SISWJJYJIDGZGC-TZMCWYRMSA-N 0 3 262.353 2.068 20 30 CEEDHN C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CCCN([O-])C2=O)C1 ZINC000895160682 629978453 /nfs/dbraw/zinc/97/84/53/629978453.db2.gz OKLNTGFAOMTXJN-ZOBUZTSGSA-N 0 3 288.391 2.467 20 30 CEEDHN C[C@H]([NH2+][C@@H]1CCCN([O-])C1=O)[C@@H](C)c1ccccc1 ZINC000895161563 629981021 /nfs/dbraw/zinc/98/10/21/629981021.db2.gz HEQFTBQOFIDFQZ-MBNYWOFBSA-N 0 3 262.353 2.148 20 30 CEEDHN O=C1[C@H]([NH2+]CCCC2CCCCC2)CCCN1[O-] ZINC000895162444 629981952 /nfs/dbraw/zinc/98/19/52/629981952.db2.gz ZOBFARDBVJCWLE-CYBMUJFWSA-N 0 3 254.374 2.317 20 30 CEEDHN O=C1[C@@H]([NH2+]CCCC2CCCCC2)CCCN1[O-] ZINC000895162445 629982243 /nfs/dbraw/zinc/98/22/43/629982243.db2.gz ZOBFARDBVJCWLE-ZDUSSCGKSA-N 0 3 254.374 2.317 20 30 CEEDHN CC(C)C1CCC([NH2+][C@@H]2CCCN([O-])C2=O)CC1 ZINC000895162845 629982900 /nfs/dbraw/zinc/98/29/00/629982900.db2.gz OFVQRMFBRMEKET-WXRRBKDZSA-N 0 3 254.374 2.171 20 30 CEEDHN CC1(C)CCC(C[NH2+][C@H]2CCCN([O-])C2=O)CC1 ZINC000895163040 629983531 /nfs/dbraw/zinc/98/35/31/629983531.db2.gz 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/nfs/dbraw/zinc/90/91/80/632909180.db2.gz XNLXDXCGVJDINY-UHFFFAOYSA-N 0 3 296.378 2.277 20 30 CEEDHN C=CCn1cc(CN[C@@H]2CCC[C@H]2Cc2ccccn2)nn1 ZINC000899884446 633071601 /nfs/dbraw/zinc/07/16/01/633071601.db2.gz DMIANIYBHLIBPX-WMLDXEAASA-N 0 3 297.406 2.360 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1cncs1 ZINC000815905757 633077046 /nfs/dbraw/zinc/07/70/46/633077046.db2.gz ZOWCDXNFXDMXDN-LBPRGKRZSA-N 0 3 293.392 2.091 20 30 CEEDHN N#CC(C(=O)CC1(C#N)CC1)C(=O)Nc1ccccc1 ZINC000815908195 633078484 /nfs/dbraw/zinc/07/84/84/633078484.db2.gz VMSKWDHZDATSFD-LBPRGKRZSA-N 0 3 267.288 2.028 20 30 CEEDHN C#Cc1ccc(CN[C@@H]2C[C@H](OCC)[C@@H]2n2cccn2)cc1 ZINC000816672940 633462067 /nfs/dbraw/zinc/46/20/67/633462067.db2.gz NVNHQLREZYGCDE-FGTMMUONSA-N 0 3 295.386 2.373 20 30 CEEDHN C#CCN1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C ZINC000817294795 633622750 /nfs/dbraw/zinc/62/27/50/633622750.db2.gz TZMQQOPLMVWYPC-MJBXVCDLSA-N 0 3 280.412 2.491 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC000818611957 633959322 /nfs/dbraw/zinc/95/93/22/633959322.db2.gz JEPGNSWADGDWQY-HNNXBMFYSA-N 0 3 286.419 2.424 20 30 CEEDHN C[C@H](c1ccccc1)[C@@H](O)CNCc1ccc(C#N)cn1 ZINC000819310484 634134368 /nfs/dbraw/zinc/13/43/68/634134368.db2.gz BBDZESAHXMDAHO-DYVFJYSZSA-N 0 3 281.359 2.207 20 30 CEEDHN C=C1CCC(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000901572049 634194709 /nfs/dbraw/zinc/19/47/09/634194709.db2.gz GTUQEARKDQAOSX-INIZCTEOSA-N 0 3 283.375 2.421 20 30 CEEDHN CCc1ccccc1N=NC1CCN(CCO)CC1 ZINC000819805819 634266676 /nfs/dbraw/zinc/26/66/76/634266676.db2.gz CRTZUTGQXDNMKD-UHFFFAOYSA-N 0 3 261.369 2.105 20 30 CEEDHN C[C@@H](N[C@H](CO)CC1CCC1)c1cc(C#N)ccn1 ZINC000902976864 634916581 /nfs/dbraw/zinc/91/65/81/634916581.db2.gz VTFBRUHZZUXDRP-RISCZKNCSA-N 0 3 259.353 2.155 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000822494203 634930889 /nfs/dbraw/zinc/93/08/89/634930889.db2.gz JHBUVTYXUMWISC-HZMBPMFUSA-N 0 3 251.301 2.212 20 30 CEEDHN CO[C@@H]([C@@H](C)N[C@H](C)c1cc(C#N)ccn1)C1CC1 ZINC000903012392 634938398 /nfs/dbraw/zinc/93/83/98/634938398.db2.gz PBLJYLKAHJQZHA-HFAKWTLXSA-N 0 3 259.353 2.417 20 30 CEEDHN CC(C)CC[C@H](CO)N[C@H](C)c1cc(C#N)ccn1 ZINC000903063245 634951867 /nfs/dbraw/zinc/95/18/67/634951867.db2.gz ASXACRRFHHPIJB-TZMCWYRMSA-N 0 3 261.369 2.401 20 30 CEEDHN CC(C)O[C@@]1(CN[C@H](C)c2cc(C#N)ccn2)CCOC1 ZINC000903358744 635084261 /nfs/dbraw/zinc/08/42/61/635084261.db2.gz YVUIWFWKLOEXKY-CZUORRHYSA-N 0 3 289.379 2.188 20 30 CEEDHN C=CCSCC[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823936965 635308402 /nfs/dbraw/zinc/30/84/02/635308402.db2.gz BJHGUYLKOSRUGG-NSHDSACASA-N 0 3 289.408 2.437 20 30 CEEDHN C=CCSCC[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823936965 635308408 /nfs/dbraw/zinc/30/84/08/635308408.db2.gz BJHGUYLKOSRUGG-NSHDSACASA-N 0 3 289.408 2.437 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)C#Cc1cccs1 ZINC000824971135 635532974 /nfs/dbraw/zinc/53/29/74/635532974.db2.gz PHQXYCJOMRSGEH-CYBMUJFWSA-N 0 3 276.405 2.090 20 30 CEEDHN CC(C)N1CCCN(C(=O)C#Cc2cccs2)CC1 ZINC000825675659 635692709 /nfs/dbraw/zinc/69/27/09/635692709.db2.gz MMAYTBONDSHXTB-UHFFFAOYSA-N 0 3 276.405 2.042 20 30 CEEDHN COCc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905080506 635796754 /nfs/dbraw/zinc/79/67/54/635796754.db2.gz LQYCJWDVIPHUHP-SRMXYGTFSA-N 0 3 269.304 2.265 20 30 CEEDHN CC1/C(=C\c2ccc3c(c2)CCO3)C(=O)c2ncnn21 ZINC000905081285 635797356 /nfs/dbraw/zinc/79/73/56/635797356.db2.gz QRBKJOPYJOCHHR-SZJBZFAYSA-N 0 3 267.288 2.054 20 30 CEEDHN COCc1cccc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905080542 635797556 /nfs/dbraw/zinc/79/75/56/635797556.db2.gz MOPWSZVOEBSRGG-QVASGMJFSA-N 0 3 269.304 2.265 20 30 CEEDHN COc1cc(C)c(/C=C2/C(=O)c3ncnn3C2C)cc1OC ZINC000905081478 635797680 /nfs/dbraw/zinc/79/76/80/635797680.db2.gz QYRNJPNKUPLMKO-HAAVITCDSA-N 0 3 299.330 2.445 20 30 CEEDHN C=CCN1CCC(NC(=O)c2nccc3occc32)CC1 ZINC000826655633 635803810 /nfs/dbraw/zinc/80/38/10/635803810.db2.gz DFZRUZOYJMPQPQ-UHFFFAOYSA-N 0 3 285.347 2.208 20 30 CEEDHN CC(C)(C)NCc1cn(CC2(C#N)CCCC2)nn1 ZINC000905058565 635806074 /nfs/dbraw/zinc/80/60/74/635806074.db2.gz JLVRMULSEYUSGT-UHFFFAOYSA-N 0 3 261.373 2.250 20 30 CEEDHN C=CC[C@H](NC[C@](C)(O)C(F)F)c1ccncc1 ZINC000905121056 635826375 /nfs/dbraw/zinc/82/63/75/635826375.db2.gz JLUBSTVVBIXKTN-AAEUAGOBSA-N 0 3 256.296 2.305 20 30 CEEDHN C#Cc1cnc(NC[C@@H](c2cccc(F)c2)N(C)C)nc1 ZINC000827299876 636285226 /nfs/dbraw/zinc/28/52/26/636285226.db2.gz VJSWEFXVOLXCOC-HNNXBMFYSA-N 0 3 284.338 2.312 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CNCc1cccc2c1OCC2 ZINC000905618085 636359919 /nfs/dbraw/zinc/35/99/19/636359919.db2.gz UNOGDBAEWOXSAH-AWEZNQCLSA-N 0 3 274.364 2.012 20 30 CEEDHN C#CCOc1ccccc1CN1CC[C@H]2COC[C@@H]2C1 ZINC000827596392 636363831 /nfs/dbraw/zinc/36/38/31/636363831.db2.gz WXDRCBLGVRZDQX-HOTGVXAUSA-N 0 3 271.360 2.167 20 30 CEEDHN N#Cc1cccc(-c2cnc([C@H]3CCCN3)nc2)c1 ZINC000906165590 636629490 /nfs/dbraw/zinc/62/94/90/636629490.db2.gz SLPXSVWOWSOFSW-CQSZACIVSA-N 0 3 250.305 2.440 20 30 CEEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cn(CCC(C)=O)nn1 ZINC000906312871 636697321 /nfs/dbraw/zinc/69/73/21/636697321.db2.gz FASNKOCNILKYHP-HOCLYGCPSA-N 0 3 290.411 2.482 20 30 CEEDHN C#C[C@H](NC[C@@]1(C)CC1(Cl)Cl)[C@@H]1CCCO1 ZINC000828952541 636734193 /nfs/dbraw/zinc/73/41/93/636734193.db2.gz AHSOIIOEASMRKN-GARJFASQSA-N 0 3 262.180 2.341 20 30 CEEDHN C#CC1(O)CCN([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000906590338 636789189 /nfs/dbraw/zinc/78/91/89/636789189.db2.gz PIGJSSVQRAEMEI-LSDHHAIUSA-N 0 3 259.324 2.142 20 30 CEEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)NCCCC)C1 ZINC000829773177 636926709 /nfs/dbraw/zinc/92/67/09/636926709.db2.gz BJNXNEFXMGLQTL-KBPBESRZSA-N 0 3 250.386 2.027 20 30 CEEDHN CC(C)C#CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000830284968 637028296 /nfs/dbraw/zinc/02/82/96/637028296.db2.gz CGKCKHOPQKEQQG-QGZVFWFLSA-N 0 3 284.403 2.379 20 30 CEEDHN C#CC1CCN(C[C@@H]2COc3ccccc3O2)CC1 ZINC000830311113 637032758 /nfs/dbraw/zinc/03/27/58/637032758.db2.gz DRAWXTQXJVMAAN-CQSZACIVSA-N 0 3 257.333 2.172 20 30 CEEDHN C#CC1CCN(CCOc2ccccc2C#N)CC1 ZINC000830321633 637035380 /nfs/dbraw/zinc/03/53/80/637035380.db2.gz UZLAVDHSUNGJDT-UHFFFAOYSA-N 0 3 254.333 2.282 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(Cl)cc1 ZINC000876544392 650315431 /nfs/dbraw/zinc/31/54/31/650315431.db2.gz UECDHZDBTQJGKN-NSHDSACASA-N 0 3 273.163 2.426 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000876552695 650322490 /nfs/dbraw/zinc/32/24/90/650322490.db2.gz ARKWGPNCCVPKHH-JTQLQIEISA-N 0 3 298.770 2.421 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2ccccc21 ZINC000876547458 650318737 /nfs/dbraw/zinc/31/87/37/650318737.db2.gz BMBMPOBIJQHUIY-LLVKDONJSA-N 0 3 250.729 2.046 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908573397 637415283 /nfs/dbraw/zinc/41/52/83/637415283.db2.gz JKQBWVDQCUJJOP-HNNXBMFYSA-N 0 3 294.439 2.445 20 30 CEEDHN Cc1ccc(CNC(=O)[C@@H](C(C)C)N(C)C)cc1C#N ZINC000831794588 637436564 /nfs/dbraw/zinc/43/65/64/637436564.db2.gz ADBMYVBUBRRRCM-OAHLLOKOSA-N 0 3 273.380 2.069 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C(F)(F)F)CC1 ZINC000876578761 650343567 /nfs/dbraw/zinc/34/35/67/650343567.db2.gz ZQICLBLSBAUQIF-SECBINFHSA-N 0 3 284.709 2.257 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000876588753 650347402 /nfs/dbraw/zinc/34/74/02/650347402.db2.gz PATBLJKQNQHGMJ-JOYOIKCWSA-N 0 3 297.742 2.242 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000876596181 650351848 /nfs/dbraw/zinc/35/18/48/650351848.db2.gz FRFQLLUTJHNFJY-JOYOIKCWSA-N 0 3 256.777 2.246 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)COc1ccccc1 ZINC000876607057 650356388 /nfs/dbraw/zinc/35/63/88/650356388.db2.gz OHGDCRFSGDWZRL-WCQYABFASA-N 0 3 282.771 2.040 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCCC[C@@H]1C ZINC000876618887 650362635 /nfs/dbraw/zinc/36/26/35/650362635.db2.gz IJKHFGKADSCXPW-WCQGTBRESA-N 0 3 258.793 2.399 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)c1ccc(F)c(F)c1 ZINC000876621183 650363413 /nfs/dbraw/zinc/36/34/13/650363413.db2.gz XMIGAGTUYPZLRM-NSHDSACASA-N 0 3 274.698 2.398 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)c1ccc(OC)c(OC)c1 ZINC000876623753 650364630 /nfs/dbraw/zinc/36/46/30/650364630.db2.gz SUALFAGNPZULSM-LLVKDONJSA-N 0 3 298.770 2.137 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCOc1ccc(C)cc1 ZINC000876627388 650366773 /nfs/dbraw/zinc/36/67/73/650366773.db2.gz FOHKWPKBFQEDQO-AWEZNQCLSA-N 0 3 296.798 2.350 20 30 CEEDHN C#CCN(CC)Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000876639055 650370520 /nfs/dbraw/zinc/37/05/20/650370520.db2.gz KVAJJICTRSPXBV-UHFFFAOYSA-N 0 3 283.375 2.395 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCc2ccccc21 ZINC000876657870 650382538 /nfs/dbraw/zinc/38/25/38/650382538.db2.gz UNBAOVHPTGPICY-OCCSQVGLSA-N 0 3 278.783 2.303 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)Cc1cccc(OC)c1 ZINC000876660830 650384118 /nfs/dbraw/zinc/38/41/18/650384118.db2.gz IAUOQEAPCSPUIB-SMDDNHRTSA-N 0 3 296.798 2.212 20 30 CEEDHN CC(=NN[C@@H]1CCOC1(C)C)c1ccc(N)cc1C ZINC000835017700 638024607 /nfs/dbraw/zinc/02/46/07/638024607.db2.gz XMLKDBWPIYMPLJ-CQSZACIVSA-N 0 3 261.369 2.458 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000876670707 650391874 /nfs/dbraw/zinc/39/18/74/650391874.db2.gz FSVMUZCMESAFKJ-JTQLQIEISA-N 0 3 284.791 2.407 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000876670640 650391938 /nfs/dbraw/zinc/39/19/38/650391938.db2.gz OOAYCZYDBMTATC-WCQGTBRESA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000876674285 650393621 /nfs/dbraw/zinc/39/36/21/650393621.db2.gz GPRKWHRWANNHDV-CYBMUJFWSA-N 0 3 295.770 2.078 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000876683898 650398002 /nfs/dbraw/zinc/39/80/02/650398002.db2.gz YRCUULUEFLVEFT-MELADBBJSA-N 0 3 278.783 2.204 20 30 CEEDHN C[C@H](OCCc1ccccc1)C(=O)C(C#N)c1ccncn1 ZINC000835304616 638179007 /nfs/dbraw/zinc/17/90/07/638179007.db2.gz WCHPIOXHGCTQHG-DZGCQCFKSA-N 0 3 295.342 2.301 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000876712296 650407918 /nfs/dbraw/zinc/40/79/18/650407918.db2.gz FJGSYZFXWUMHLS-ZJUUUORDSA-N 0 3 292.770 2.210 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1C ZINC000876768851 650426508 /nfs/dbraw/zinc/42/65/08/650426508.db2.gz ZTWXSEAJCIPWLG-CQSZACIVSA-N 0 3 295.814 2.147 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCC(CC)(CC)SC ZINC000836330779 638602576 /nfs/dbraw/zinc/60/25/76/638602576.db2.gz LHPNGFOQYPPFLT-UHFFFAOYSA-N 0 3 299.484 2.163 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000912235879 638610586 /nfs/dbraw/zinc/61/05/86/638610586.db2.gz CEERGEQFFMRHLP-LURJTMIESA-N 0 3 294.302 2.179 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCC(C)(C)C(C)(C)C ZINC000836471101 638644102 /nfs/dbraw/zinc/64/41/02/638644102.db2.gz KOGXBHCJAHKKKS-UHFFFAOYSA-N 0 3 281.444 2.313 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H](CCC)C1 ZINC000836488897 638648036 /nfs/dbraw/zinc/64/80/36/638648036.db2.gz QMAZFQGRYVKHPH-OAHLLOKOSA-N 0 3 279.428 2.163 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000836490399 638649302 /nfs/dbraw/zinc/64/93/02/638649302.db2.gz YVQBVTPZNZAMTH-HUUCEWRRSA-N 0 3 279.428 2.210 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C)ccc1O ZINC000876827938 650449191 /nfs/dbraw/zinc/44/91/91/650449191.db2.gz IMLUGQLMAGHOOK-VIFPVBQESA-N 0 3 254.717 2.109 20 30 CEEDHN C=CCO[N-]C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000837044344 639028487 /nfs/dbraw/zinc/02/84/87/639028487.db2.gz LNWBCTDCLLIBED-OAHLLOKOSA-N 0 3 274.364 2.132 20 30 CEEDHN C=CCO[N-]C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000837044344 639028496 /nfs/dbraw/zinc/02/84/96/639028496.db2.gz LNWBCTDCLLIBED-OAHLLOKOSA-N 0 3 274.364 2.132 20 30 CEEDHN C#Cc1cccc(CNC(=O)[C@H]2CCCN2CCC)c1 ZINC000837105331 639052553 /nfs/dbraw/zinc/05/25/53/639052553.db2.gz AWTDOXWBPJLMLX-MRXNPFEDSA-N 0 3 270.376 2.159 20 30 CEEDHN N#CC[C@@H](CC(=O)N1CC[C@@H](N2CCC2)C1)c1ccccc1 ZINC000912907884 639067862 /nfs/dbraw/zinc/06/78/62/639067862.db2.gz KCOODHHAWIKNSY-DLBZAZTESA-N 0 3 297.402 2.381 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2cccc(C)c21 ZINC000876884569 650472922 /nfs/dbraw/zinc/47/29/22/650472922.db2.gz DMQOMKNZUDXRNX-GFCCVEGCSA-N 0 3 264.756 2.354 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)C#CC(C)(C)C ZINC000837342559 639194796 /nfs/dbraw/zinc/19/47/96/639194796.db2.gz WBKLYKWUIFHUPJ-CYBMUJFWSA-N 0 3 250.386 2.027 20 30 CEEDHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)C#CC1CC1 ZINC000913097530 639201310 /nfs/dbraw/zinc/20/13/10/639201310.db2.gz NTGJFQUXBKYMOI-MAUKXSAKSA-N 0 3 296.414 2.427 20 30 CEEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C#CC1CC1 ZINC000837372488 639205748 /nfs/dbraw/zinc/20/57/48/639205748.db2.gz MWBIWOFGYJOMIK-UHFFFAOYSA-N 0 3 288.366 2.129 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)c1c(C)noc1C ZINC000876902106 650479749 /nfs/dbraw/zinc/47/97/49/650479749.db2.gz MFVMTICQMRCGOW-WDEREUQCSA-N 0 3 285.775 2.329 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccccc1 ZINC000876543620 639288975 /nfs/dbraw/zinc/28/89/75/639288975.db2.gz HEEDSYWZRUYQPE-PWSUYJOCSA-N 0 3 252.745 2.334 20 30 CEEDHN CC(C)N1CCCC[C@@H]1COC(=O)c1cc(C#N)ccn1 ZINC000837721159 639357260 /nfs/dbraw/zinc/35/72/60/639357260.db2.gz BUASZURELDZZAP-CQSZACIVSA-N 0 3 287.363 2.373 20 30 CEEDHN N#C[C@@]1(C(=O)OCCN2CCCCC2)CC12CCCC2 ZINC000837903047 639438722 /nfs/dbraw/zinc/43/87/22/639438722.db2.gz QQUDCDADYNNBMB-MRXNPFEDSA-N 0 3 276.380 2.490 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3ccc(C)cc3)CCC[C@H]12 ZINC000991686688 639560300 /nfs/dbraw/zinc/56/03/00/639560300.db2.gz YGDULUBBJAKXBT-HKUYNNGSSA-N 0 3 296.414 2.284 20 30 CEEDHN Cc1ccc([C@H](O)CNCc2cccc(C#N)n2)cc1 ZINC000876960063 650507190 /nfs/dbraw/zinc/50/71/90/650507190.db2.gz SOZDACFEJNHNPM-MRXNPFEDSA-N 0 3 267.332 2.085 20 30 CEEDHN C#CCCCNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000173323427 639850190 /nfs/dbraw/zinc/85/01/90/639850190.db2.gz TUZYJWTVGCVMCM-UHFFFAOYSA-N 0 3 287.407 2.173 20 30 CEEDHN N#CC1(CONC(=N)COc2ccccc2)CCC1 ZINC000842020023 639920701 /nfs/dbraw/zinc/92/07/01/639920701.db2.gz CLYOILWLYCTEMY-UHFFFAOYSA-N 0 3 259.309 2.258 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)CCC[C@H]12 ZINC000992117737 639965214 /nfs/dbraw/zinc/96/52/14/639965214.db2.gz LESNOKFSHNKPFT-SOXILONMSA-N 0 3 274.408 2.332 20 30 CEEDHN CC[C@@H](Sc1ccccc1)C(=O)C(C#N)C(=O)NC ZINC000842292729 640000209 /nfs/dbraw/zinc/00/02/09/640000209.db2.gz WREBFQZZWNGXFW-NWDGAFQWSA-N 0 3 276.361 2.012 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CC)CCC[C@H]12 ZINC000992241470 640002520 /nfs/dbraw/zinc/00/25/20/640002520.db2.gz POAOTDKLOUWJBB-AIANPOQGSA-N 0 3 274.408 2.169 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3cc(C)[nH]c3C)CCC[C@H]12 ZINC000992287679 640015741 /nfs/dbraw/zinc/01/57/41/640015741.db2.gz IAKSLOUGHXLXKE-WMZOPIPTSA-N 0 3 299.418 2.382 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3C3CC3)CCC[C@@H]12 ZINC000992314693 640023510 /nfs/dbraw/zinc/02/35/10/640023510.db2.gz GCCKTYMIJACCKS-KLZNWCGWSA-N 0 3 274.408 2.332 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3C3CCC3)CCC[C@H]12 ZINC000992332223 640027107 /nfs/dbraw/zinc/02/71/07/640027107.db2.gz AFMHMFRNFLIIAD-UIBIWLFHSA-N 0 3 286.419 2.169 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(OC)o3)CCC[C@@H]12 ZINC000992363657 640033831 /nfs/dbraw/zinc/03/38/31/640033831.db2.gz IETWRWGSTPODLA-CZUORRHYSA-N 0 3 290.363 2.201 20 30 CEEDHN C=CC(C)(C)CCCNC(=O)c1ccnn1CCN(C)C ZINC000913796302 640107423 /nfs/dbraw/zinc/10/74/23/640107423.db2.gz ZUWWHVWYGUZIOT-UHFFFAOYSA-N 0 3 292.427 2.167 20 30 CEEDHN Cc1cccc([C@H](O)CNCc2cccc(C#N)n2)c1 ZINC000877091840 650568170 /nfs/dbraw/zinc/56/81/70/650568170.db2.gz RCVLVLHBBCFNJE-MRXNPFEDSA-N 0 3 267.332 2.085 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2F)[C@H]1C ZINC000992987697 640396276 /nfs/dbraw/zinc/39/62/76/640396276.db2.gz QJJSNWWQLIDMGW-CZUORRHYSA-N 0 3 288.366 2.432 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2c(C)noc2C)[C@@H]1C ZINC000993021875 640402901 /nfs/dbraw/zinc/40/29/01/640402901.db2.gz KUSCVPGCIOJLSI-GXTWGEPZSA-N 0 3 291.395 2.450 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)C2CC=CC2)[C@@H]1C ZINC000993149200 640485519 /nfs/dbraw/zinc/48/55/19/640485519.db2.gz PJDNCOYWTHSFRW-ZFWWWQNUSA-N 0 3 262.397 2.498 20 30 CEEDHN C#CCN(C(=O)N[C@H](CC)CCC)C1CCN(C)CC1 ZINC000915199989 640526516 /nfs/dbraw/zinc/52/65/16/640526516.db2.gz VMAKMHBTAJONMN-CQSZACIVSA-N 0 3 279.428 2.304 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CC[C@@H]3SCCS[C@H]23)n1 ZINC000877129028 650586052 /nfs/dbraw/zinc/58/60/52/650586052.db2.gz HGPAZLMGAKNWMD-HZSPNIEDSA-N 0 3 291.445 2.422 20 30 CEEDHN CCCN(C(=O)Cc1ccccc1CC#N)[C@@H]1CCN(C)C1 ZINC000843986922 640571025 /nfs/dbraw/zinc/57/10/25/640571025.db2.gz CRVLDQINJOEKJR-QGZVFWFLSA-N 0 3 299.418 2.238 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(CC)ccn2)[C@@H]1C ZINC000993341250 640618598 /nfs/dbraw/zinc/61/85/98/640618598.db2.gz BDYWMAVUJHSWOP-HOCLYGCPSA-N 0 3 299.418 2.250 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2onc(C)c2C)[C@H]1C ZINC000993474465 640648437 /nfs/dbraw/zinc/64/84/37/640648437.db2.gz ZBRPUKBEYKBHRW-KGLIPLIRSA-N 0 3 291.395 2.450 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cncs2)[C@H]1C 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C#CCCN1CC[C@H](NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001015749535 640815029 /nfs/dbraw/zinc/81/50/29/640815029.db2.gz MKRVXLMOAKNKMZ-AWEZNQCLSA-N 0 3 294.757 2.307 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)CCCc1ccccc1 ZINC000916921270 640829919 /nfs/dbraw/zinc/82/99/19/640829919.db2.gz RQZVFGWQSYDDOU-CQSZACIVSA-N 0 3 270.332 2.020 20 30 CEEDHN CC(=O)N[C@@H]1CC[C@@H](CNCc2cc(F)ccc2C#N)C1 ZINC000994540056 640918754 /nfs/dbraw/zinc/91/87/54/640918754.db2.gz KAXGNRVJPZMEFJ-MLGOLLRUSA-N 0 3 289.354 2.092 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cnc(C)s1 ZINC000877193371 650619267 /nfs/dbraw/zinc/61/92/67/650619267.db2.gz BLWXAZHTDNRGNF-APPZFPTMSA-N 0 3 273.789 2.099 20 30 CEEDHN C=CC[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)c1ccncc1 ZINC000919013347 641006602 /nfs/dbraw/zinc/00/66/02/641006602.db2.gz CYYOYZHWRRCZOV-YUELXQCFSA-N 0 3 288.395 2.091 20 30 CEEDHN C=C(C)CONC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000845592701 641007077 /nfs/dbraw/zinc/00/70/77/641007077.db2.gz HMBCTSGSVYYNTL-UHFFFAOYSA-N 0 3 295.383 2.169 20 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CEEDHN CN1CCC(NC(=S)NCC2(C#N)CCCCC2)CC1 ZINC000849305374 642323513 /nfs/dbraw/zinc/32/35/13/642323513.db2.gz MOWVEZACKQVEJW-UHFFFAOYSA-N 0 3 294.468 2.019 20 30 CEEDHN C#CCCCCCCN1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000877485804 650744374 /nfs/dbraw/zinc/74/43/74/650744374.db2.gz AGOLPQXAPDLXBI-HOTGVXAUSA-N 0 3 265.397 2.450 20 30 CEEDHN C#CCCCCCCN(C)[C@H]1CCN(CC=C)C1=O ZINC000877496595 650750572 /nfs/dbraw/zinc/75/05/72/650750572.db2.gz WAMQRGJFNIXDLT-HNNXBMFYSA-N 0 3 262.397 2.289 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2coc(CC)n2)C1 ZINC000998664965 642427619 /nfs/dbraw/zinc/42/76/19/642427619.db2.gz DELIMVGNZYJXIT-UHFFFAOYSA-N 0 3 297.786 2.182 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)Cc2ccoc2)C1 ZINC000998668747 642427651 /nfs/dbraw/zinc/42/76/51/642427651.db2.gz LAMQGSATKICCRX-UHFFFAOYSA-N 0 3 282.771 2.154 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H](NCCF)C1 ZINC001000091833 642531231 /nfs/dbraw/zinc/53/12/31/642531231.db2.gz KCHCDKBBFRMHAF-GXTWGEPZSA-N 0 3 256.365 2.139 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2ccccc2F)CC1 ZINC001000383895 642597071 /nfs/dbraw/zinc/59/70/71/642597071.db2.gz MBMZFSZLAOAHHV-UHFFFAOYSA-N 0 3 274.339 2.374 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2cccc(F)c2)CC1 ZINC001000393219 642599544 /nfs/dbraw/zinc/59/95/44/642599544.db2.gz CDGIFXPCNQZKFL-UHFFFAOYSA-N 0 3 274.339 2.374 20 30 CEEDHN N#Cc1csc(CNCC[S@](=O)CC(F)(F)F)c1 ZINC000850347955 642675428 /nfs/dbraw/zinc/67/54/28/642675428.db2.gz BMNDALJLIDFZBY-SFHVURJKSA-N 0 3 296.339 2.020 20 30 CEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CC[C@H](F)C2)CC1 ZINC001001086938 642687148 /nfs/dbraw/zinc/68/71/48/642687148.db2.gz OSMCINUELMTBJG-KGLIPLIRSA-N 0 3 266.360 2.059 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1C[C@H](O)C12CCC2 ZINC000850388169 642695484 /nfs/dbraw/zinc/69/54/84/642695484.db2.gz IYMDGLZPDSGUOQ-CVEARBPZSA-N 0 3 271.360 2.092 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2ccoc2Cl)CC1 ZINC001001343470 642713425 /nfs/dbraw/zinc/71/34/25/642713425.db2.gz PZFNDEOFZUWEPH-UHFFFAOYSA-N 0 3 280.755 2.008 20 30 CEEDHN C#C[C@H](NCCCc1cnn(C)c1)c1ccc(F)cc1 ZINC000877544767 650778879 /nfs/dbraw/zinc/77/88/79/650778879.db2.gz WWCNQJRSNFJGIN-INIZCTEOSA-N 0 3 271.339 2.456 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2cc3n(c2)CCCC3)CC1 ZINC001001505614 642725416 /nfs/dbraw/zinc/72/54/16/642725416.db2.gz VQQAPJIUTYZNJB-UHFFFAOYSA-N 0 3 299.418 2.372 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2cccnc2C2CC2)CC1 ZINC001001590860 642730329 /nfs/dbraw/zinc/73/03/29/642730329.db2.gz GVCGPSPVTAIEJO-UHFFFAOYSA-N 0 3 297.402 2.034 20 30 CEEDHN CC#CCN1CCC(CNC(=O)c2cc(C)c(C)cn2)CC1 ZINC001001675399 642732531 /nfs/dbraw/zinc/73/25/31/642732531.db2.gz ZZPABBSKSBFVKH-UHFFFAOYSA-N 0 3 299.418 2.164 20 30 CEEDHN C#CCN1CCC(CNC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001001801317 642737589 /nfs/dbraw/zinc/73/75/89/642737589.db2.gz UEAXOYDHRAFYLG-HNNXBMFYSA-N 0 3 276.424 2.274 20 30 CEEDHN C=C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000850573207 642754798 /nfs/dbraw/zinc/75/47/98/642754798.db2.gz WWHDCRYBTUYFJA-FXPVBKGRSA-N 0 3 251.301 2.216 20 30 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HJBSYYFXBGOVHC-ZBFHGGJFSA-N 0 3 269.348 2.217 20 30 CEEDHN C=C(Br)CN[C@H](CO)[C@@H]1CCC[C@H](OC)C1 ZINC000852351447 643403766 /nfs/dbraw/zinc/40/37/66/643403766.db2.gz OAMJPRUQUYHQDL-GRYCIOLGSA-N 0 3 292.217 2.051 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cc(OC)cs2)CC1 ZINC001005811651 643448577 /nfs/dbraw/zinc/44/85/77/643448577.db2.gz NQRXBCGLQOXBGL-UHFFFAOYSA-N 0 3 294.420 2.479 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@@]2(C)C=CCC2)CC1 ZINC001005841599 643479044 /nfs/dbraw/zinc/47/90/44/643479044.db2.gz QUCRFFGNLGEMRP-INIZCTEOSA-N 0 3 262.397 2.452 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CCC3(CCCC3=O)CC2)cc1 ZINC000852631439 643492261 /nfs/dbraw/zinc/49/22/61/643492261.db2.gz RVFDTEPRWDQXSH-MRXNPFEDSA-N 0 3 298.386 2.427 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(SC(=O)N(C)C)cc1 ZINC000852714499 643522309 /nfs/dbraw/zinc/52/23/09/643522309.db2.gz STDLCLGURXWPKM-GFCCVEGCSA-N 0 3 280.393 2.097 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2ccc(Cl)[nH]2)CC1 ZINC001005961535 643583867 /nfs/dbraw/zinc/58/38/67/643583867.db2.gz TXRASLYJCFZQRR-UHFFFAOYSA-N 0 3 281.787 2.391 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)Cc2cccnc2C)CC1 ZINC001005999160 643626447 /nfs/dbraw/zinc/62/64/47/643626447.db2.gz ZIPNVIGYVTZISA-UHFFFAOYSA-N 0 3 287.407 2.041 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1cscn1 ZINC000853096965 643651297 /nfs/dbraw/zinc/65/12/97/643651297.db2.gz QYNPTJUFZXIAFM-GFCCVEGCSA-N 0 3 293.392 2.091 20 30 CEEDHN CCn1cc(CN(C)CCc2cccc(C#N)c2)cn1 ZINC000877703859 650860552 /nfs/dbraw/zinc/86/05/52/650860552.db2.gz FXMWVFZYQZFERM-UHFFFAOYSA-N 0 3 268.364 2.449 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@H]2CCC[C@@H]2C1=O ZINC000853598442 643829420 /nfs/dbraw/zinc/82/94/20/643829420.db2.gz REYILRFJOSMGFI-XQLPTFJDSA-N 0 3 260.381 2.385 20 30 CEEDHN CC#CC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000854515069 644077361 /nfs/dbraw/zinc/07/73/61/644077361.db2.gz NSNPDXRUXDSXLU-GDBMZVCRSA-N 0 3 268.360 2.153 20 30 CEEDHN C=C(CN(C)C)C(=O)N(OC)[C@H](C)c1ccccc1OC ZINC000855131534 644252304 /nfs/dbraw/zinc/25/23/04/644252304.db2.gz SJMDVIWNZJLCPC-CYBMUJFWSA-N 0 3 292.379 2.264 20 30 CEEDHN CC(C)(O)[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000877835338 650927797 /nfs/dbraw/zinc/92/77/97/650927797.db2.gz PJMOTZSRHYXDOU-JTQLQIEISA-N 0 3 250.367 2.213 20 30 CEEDHN C#CCN1CCC(C(=O)NC2(CC=C)CCCC2)CC1 ZINC000855927520 644530972 /nfs/dbraw/zinc/53/09/72/644530972.db2.gz RTQPKPNKZYKMEV-UHFFFAOYSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCCCCCC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000856489992 644685863 /nfs/dbraw/zinc/68/58/63/644685863.db2.gz SUJWCIOGBPDGNE-CQSZACIVSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CCOCCN(C)CCOc1cccc(Cl)c1 ZINC000839532957 644735260 /nfs/dbraw/zinc/73/52/60/644735260.db2.gz YCINRTKQVCRTCZ-UHFFFAOYSA-N 0 3 267.756 2.300 20 30 CEEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)CC1(O)CCCC1 ZINC000877916454 650946558 /nfs/dbraw/zinc/94/65/58/650946558.db2.gz CPZLHFLLLLAOMX-MRXNPFEDSA-N 0 3 288.391 2.046 20 30 CEEDHN C[C@H](C#N)Oc1ccc(CNC2COC(C)(C)OC2)cc1 ZINC000758010850 644871777 /nfs/dbraw/zinc/87/17/77/644871777.db2.gz SVRGLUDEMFRSKG-GFCCVEGCSA-N 0 3 290.363 2.219 20 30 CEEDHN CCc1cccc(OCC(=O)C(C#N)c2ccncn2)c1 ZINC000760340751 645142191 /nfs/dbraw/zinc/14/21/91/645142191.db2.gz NWEZWHIJJDSEAF-CQSZACIVSA-N 0 3 281.315 2.294 20 30 CEEDHN CCOc1ccc(OCC(=O)C(C#N)c2ccncn2)cc1 ZINC000760356381 645147044 /nfs/dbraw/zinc/14/70/44/645147044.db2.gz GYSBSRFYKDEIEP-CQSZACIVSA-N 0 3 297.314 2.131 20 30 CEEDHN C#CCCCN[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000760479547 645161900 /nfs/dbraw/zinc/16/19/00/645161900.db2.gz PXIRGYJKGHBXPS-CYBMUJFWSA-N 0 3 254.337 2.331 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1NCC1=CCN(C)CC1 ZINC000760579118 645172674 /nfs/dbraw/zinc/17/26/74/645172674.db2.gz GQLDALZVGKWGLK-UHFFFAOYSA-N 0 3 269.348 2.435 20 30 CEEDHN N#CC1(c2ccccn2)CCN(c2ccnc(CO)c2)CC1 ZINC000858530730 645192734 /nfs/dbraw/zinc/19/27/34/645192734.db2.gz NOAWWNUHNYQSGL-UHFFFAOYSA-N 0 3 294.358 2.031 20 30 CEEDHN C#CCOCCN(C)Cc1ccc(SC)c(OC)c1 ZINC000761108260 645243090 /nfs/dbraw/zinc/24/30/90/645243090.db2.gz JQRLVFPBLHILAZ-UHFFFAOYSA-N 0 3 279.405 2.499 20 30 CEEDHN C#CCCOC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000859112134 645368284 /nfs/dbraw/zinc/36/82/84/645368284.db2.gz KMDCXLQBTRTOFD-DZGCQCFKSA-N 0 3 274.364 2.427 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cn3cc(C)ccc3n2)CC1 ZINC000859250259 645436299 /nfs/dbraw/zinc/43/62/99/645436299.db2.gz IYHPAXMYEGCVOZ-UHFFFAOYSA-N 0 3 298.390 2.023 20 30 CEEDHN C[C@@H](C#N)OCCN[C@@H](c1ccccn1)C1CCC1 ZINC000859568564 645521700 /nfs/dbraw/zinc/52/17/00/645521700.db2.gz ZQFJDJVPHWCGSG-SWLSCSKDSA-N 0 3 259.353 2.441 20 30 CEEDHN CC(C)(C)c1nc(C#N)c(N=NC2CCN3CCC[C@H]23)o1 ZINC000765573316 645786005 /nfs/dbraw/zinc/78/60/05/645786005.db2.gz YKQDYUIZHVHCRO-GFCCVEGCSA-N 0 3 287.367 2.480 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C23CC(C2)C3)c1 ZINC000860469449 645800725 /nfs/dbraw/zinc/80/07/25/645800725.db2.gz QTZJKOOMFWTGCT-ULKWEWGCSA-N 0 3 268.316 2.443 20 30 CEEDHN C=CC[C@H](C)N1CCN(C2=NC[C@H](C)S2)CC1 ZINC000878263769 651047921 /nfs/dbraw/zinc/04/79/21/651047921.db2.gz UQOPMLYAQWTRCG-RYUDHWBXSA-N 0 3 253.415 2.060 20 30 CEEDHN C#CCC(C)(C)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000768244759 646100633 /nfs/dbraw/zinc/10/06/33/646100633.db2.gz ISYOPONIOXFCQX-GJZGRUSLSA-N 0 3 294.439 2.042 20 30 CEEDHN CCCCCCCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000861655673 646239646 /nfs/dbraw/zinc/23/96/46/646239646.db2.gz YVDKLHRXSYGEIG-OLZOCXBDSA-N 0 3 255.406 2.349 20 30 CEEDHN CCN(C(=O)CCCCCC#N)C1CCN(C)CC1 ZINC000861891103 646292218 /nfs/dbraw/zinc/29/22/18/646292218.db2.gz SHRPWZUXHACADT-UHFFFAOYSA-N 0 3 265.401 2.403 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000769846396 646326543 /nfs/dbraw/zinc/32/65/43/646326543.db2.gz MCLKDAMBXFRCBX-ZACQAIPSSA-N 0 3 297.402 2.459 20 30 CEEDHN C#CCOc1ccccc1CNCC1(C(=O)OCC)CC1 ZINC000770666311 646423079 /nfs/dbraw/zinc/42/30/79/646423079.db2.gz YIMCZIDISCJRIR-UHFFFAOYSA-N 0 3 287.359 2.132 20 30 CEEDHN C#CC[C@H]1CCN(Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000862447266 646465726 /nfs/dbraw/zinc/46/57/26/646465726.db2.gz KSXIMPAMHXBYSZ-LBPRGKRZSA-N 0 3 275.323 2.458 20 30 CEEDHN C=CC[C@H](CO)C[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000774825521 646900566 /nfs/dbraw/zinc/90/05/66/646900566.db2.gz DETMKGLENHLGPN-LBPRGKRZSA-N 0 3 265.353 2.065 20 30 CEEDHN C#C[C@@H](C)N(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775183053 646928956 /nfs/dbraw/zinc/92/89/56/646928956.db2.gz HCZYBECNUAZNDH-CYBMUJFWSA-N 0 3 276.355 2.116 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000775278763 646936871 /nfs/dbraw/zinc/93/68/71/646936871.db2.gz GOWHNYPVSJOTAV-CZUORRHYSA-N 0 3 288.391 2.401 20 30 CEEDHN CC(CN1CCCCCC1)=NOC1CCOCC1 ZINC000777446336 647137302 /nfs/dbraw/zinc/13/73/02/647137302.db2.gz JCUUTJWWMBGMBV-UHFFFAOYSA-N 0 3 254.374 2.434 20 30 CEEDHN CCC(=NN[C@H](C)COC)c1ccc(N(C)C)cc1 ZINC000777902293 647189113 /nfs/dbraw/zinc/18/91/13/647189113.db2.gz QIJGTNGDZVEDMY-GFCCVEGCSA-N 0 3 263.385 2.491 20 30 CEEDHN C=CCOc1ccc(CNC2(C(=O)NC)CCCC2)cc1 ZINC000779176700 647294589 /nfs/dbraw/zinc/29/45/89/647294589.db2.gz QOPVKRPYHXZVLY-UHFFFAOYSA-N 0 3 288.391 2.400 20 30 CEEDHN C[C@@H](CCO)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000779413353 647320730 /nfs/dbraw/zinc/32/07/30/647320730.db2.gz RPVVZDJBCQFQRX-NSHDSACASA-N 0 3 271.282 2.417 20 30 CEEDHN CCO[C@@]1(C)C[C@H]1NCc1cc(C#N)ccc1N(C)C ZINC000865639994 647401573 /nfs/dbraw/zinc/40/15/73/647401573.db2.gz ADPRNZXRIULHAJ-CVEARBPZSA-N 0 3 273.380 2.281 20 30 CEEDHN N#Cc1csc(CNC[C@@H]2CCC23CCOCC3)n1 ZINC000865777220 647460579 /nfs/dbraw/zinc/46/05/79/647460579.db2.gz CLERCKXRLYDENX-NSHDSACASA-N 0 3 277.393 2.311 20 30 CEEDHN Cn1cc(CN[C@H]2Cc3ccc(C#N)cc3C2)c(Cl)n1 ZINC000865846907 647491377 /nfs/dbraw/zinc/49/13/77/647491377.db2.gz ANQMTGOYTZRYOV-AWEZNQCLSA-N 0 3 286.766 2.202 20 30 CEEDHN Cn1ccnc1[C@H](N[C@@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000866618146 647844273 /nfs/dbraw/zinc/84/42/73/647844273.db2.gz WEJZHOWTEICTEO-IAGOWNOFSA-N 0 3 292.386 2.500 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CO[C@H](C)C3)nc21 ZINC000784518923 647858427 /nfs/dbraw/zinc/85/84/27/647858427.db2.gz WEBYPZRBUNTTIY-GRYCIOLGSA-N 0 3 283.331 2.473 20 30 CEEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3CO[C@H](C)C3)[nH]c21 ZINC000784518923 647858431 /nfs/dbraw/zinc/85/84/31/647858431.db2.gz WEBYPZRBUNTTIY-GRYCIOLGSA-N 0 3 283.331 2.473 20 30 CEEDHN N#Cc1ccc(N2CCN(Cc3cccc(N)c3)CC2)cc1 ZINC000866703453 647875829 /nfs/dbraw/zinc/87/58/29/647875829.db2.gz IWEMMDNTWKRKMF-UHFFFAOYSA-N 0 3 292.386 2.463 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CCCOCC1 ZINC000786310345 647999681 /nfs/dbraw/zinc/99/96/81/647999681.db2.gz IHGAHDAONXQXKX-OCCSQVGLSA-N 0 3 286.331 2.151 20 30 CEEDHN CC[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786548048 648025809 /nfs/dbraw/zinc/02/58/09/648025809.db2.gz GMXYBLKCPZQQJZ-OCCSQVGLSA-N 0 3 272.348 2.366 20 30 CEEDHN Cc1cncc([C@@H]2CCCN2C(=O)[C@@H](N)CCCC#N)c1 ZINC000868050219 648034654 /nfs/dbraw/zinc/03/46/54/648034654.db2.gz HADNECXJRCYQNM-GJZGRUSLSA-N 0 3 286.379 2.075 20 30 CEEDHN C#CCOc1ccccc1CN1CC[C@H](C(=O)OC)[C@@H]1C ZINC000787422013 648107398 /nfs/dbraw/zinc/10/73/98/648107398.db2.gz XJTCLBFPJNKJIO-ZFWWWQNUSA-N 0 3 287.359 2.082 20 30 CEEDHN N#CCCCCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000805853795 648143603 /nfs/dbraw/zinc/14/36/03/648143603.db2.gz NNGBGXSOWDPECA-OAHLLOKOSA-N 0 3 297.358 2.486 20 30 CEEDHN C#CCC1(C(=O)N[C@@H]2CCN(C3CC3)C2)CCCCC1 ZINC000788170968 648159505 /nfs/dbraw/zinc/15/95/05/648159505.db2.gz CBXQXDNYITXXFN-CQSZACIVSA-N 0 3 274.408 2.313 20 30 CEEDHN CC[C@H](CC#N)OC(=O)C1CCN(C2CC2)CC1 ZINC000805929283 648434830 /nfs/dbraw/zinc/43/48/30/648434830.db2.gz ZGBLKCHBXAUOCD-CYBMUJFWSA-N 0 3 250.342 2.096 20 30 CEEDHN N#Cc1cc(C(=O)NC[C@@H]2CCN2C2CCCCC2)co1 ZINC000869397709 648443140 /nfs/dbraw/zinc/44/31/40/648443140.db2.gz FEBIZDJVLULFSU-AWEZNQCLSA-N 0 3 287.363 2.288 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C#Cc1ccccc1 ZINC000791118118 648482706 /nfs/dbraw/zinc/48/27/06/648482706.db2.gz VFAYNDICYHMCGH-MRXNPFEDSA-N 0 3 284.403 2.275 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H](C)O[C@@H]1C ZINC000870135426 648711441 /nfs/dbraw/zinc/71/14/41/648711441.db2.gz ZGGWHTYKPRIZFT-REWJHTLYSA-N 0 3 294.395 2.205 20 30 CEEDHN C(=NOC[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000794519350 648875612 /nfs/dbraw/zinc/87/56/12/648875612.db2.gz QIYGWSMMCLUCID-INIZCTEOSA-N 0 3 290.363 2.053 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)CC(C)(C)O ZINC000871975185 649234373 /nfs/dbraw/zinc/23/43/73/649234373.db2.gz GWZLRSFCTHMUSC-HNNXBMFYSA-N 0 3 293.407 2.205 20 30 CEEDHN COCC#CCN1CCC[C@H](OC2CCC2)CC1 ZINC000872279238 649341471 /nfs/dbraw/zinc/34/14/71/649341471.db2.gz CPUINZWGDMEMJW-HNNXBMFYSA-N 0 3 251.370 2.060 20 30 CEEDHN C=CC(C)(C)CCCNCc1cn(C[C@@H]2CCOC2)nn1 ZINC000873152040 649571405 /nfs/dbraw/zinc/57/14/05/649571405.db2.gz WUKBBHDXBGWXKO-AWEZNQCLSA-N 0 3 292.427 2.397 20 30 CEEDHN N#Cc1ccc(COC(=O)C2CN(C3CCCCC3)C2)o1 ZINC000873401527 649668613 /nfs/dbraw/zinc/66/86/13/649668613.db2.gz WCRGASGHRHSFPV-UHFFFAOYSA-N 0 3 288.347 2.459 20 30 CEEDHN C#CCCCCCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000878490100 651111040 /nfs/dbraw/zinc/11/10/40/651111040.db2.gz CJFVXUXZLKVMOF-SOUVJXGZSA-N 0 3 263.381 2.454 20 30 CEEDHN C=CCN(C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@H](C)COC ZINC000878889893 651204485 /nfs/dbraw/zinc/20/44/85/651204485.db2.gz MFIHKSNEEVDRGM-CBBWQLFWSA-N 0 3 253.386 2.467 20 30 CEEDHN C=CCN(C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@H](C)COC ZINC000878889894 651204493 /nfs/dbraw/zinc/20/44/93/651204493.db2.gz MFIHKSNEEVDRGM-QPSCCSFWSA-N 0 3 253.386 2.467 20 30 CEEDHN C=C[C@H](CO)NC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878994886 651224580 /nfs/dbraw/zinc/22/45/80/651224580.db2.gz CZEQYZRTIQGVSV-SKDRFNHKSA-N 0 3 276.163 2.163 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC(c2ccc(F)cn2)CC1 ZINC000879004494 651226946 /nfs/dbraw/zinc/22/69/46/651226946.db2.gz CKODSDKBSMJWFF-LBPRGKRZSA-N 0 3 277.343 2.329 20 30 CEEDHN C=C(C)CN1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 ZINC000879221292 651263697 /nfs/dbraw/zinc/26/36/97/651263697.db2.gz AFOADNODPKKIBQ-UHFFFAOYSA-N 0 3 298.427 2.256 20 30 CEEDHN Cc1ccc(CN2C[C@H](O)CC(C)(C)C2)cc1C#N ZINC000879625121 651332618 /nfs/dbraw/zinc/33/26/18/651332618.db2.gz OGKAKKPBIXEMRX-OAHLLOKOSA-N 0 3 258.365 2.460 20 30 CEEDHN C=CCOCCN1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879691900 651340287 /nfs/dbraw/zinc/34/02/87/651340287.db2.gz KQOQEZMBFUXQMJ-HNNXBMFYSA-N 0 3 273.380 2.069 20 30 CEEDHN C#CCCN1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000879754578 651347766 /nfs/dbraw/zinc/34/77/66/651347766.db2.gz MZPHPNWDARXLFG-UONOGXRCSA-N 0 3 278.396 2.484 20 30 CEEDHN C[C@H](C#N)OCCN1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000879995198 651370591 /nfs/dbraw/zinc/37/05/91/651370591.db2.gz AKBMRNGIDUQADY-DOMZBBRYSA-N 0 3 278.327 2.207 20 30 CEEDHN C#CCC1(O)CCN(Cc2ccccc2OCC)CC1 ZINC000880477979 651447719 /nfs/dbraw/zinc/44/77/19/651447719.db2.gz PUVKULQQKWDUBA-UHFFFAOYSA-N 0 3 273.376 2.436 20 30 CEEDHN C#CCC1(O)CCN(CCc2ccccc2F)CC1 ZINC000880483734 651448647 /nfs/dbraw/zinc/44/86/47/651448647.db2.gz JVCZOXZAABYZSU-UHFFFAOYSA-N 0 3 261.340 2.218 20 30 CEEDHN CN1CCC[C@H](NC(=O)Nc2cc(C#N)c(F)cc2F)C1 ZINC000880715701 651489997 /nfs/dbraw/zinc/48/99/97/651489997.db2.gz YPJJIZOZWIDQPP-JTQLQIEISA-N 0 3 294.305 2.052 20 30 CEEDHN CCN1CC[C@H]1CNc1cc(C#N)nc2ccccc21 ZINC000882960416 652291554 /nfs/dbraw/zinc/29/15/54/652291554.db2.gz JCZCTRILZMKNDS-ZDUSSCGKSA-N 0 3 266.348 2.034 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)C2CC2)CCN1Cc1cccc(C#N)c1 ZINC000946957548 652334834 /nfs/dbraw/zinc/33/48/34/652334834.db2.gz RNJRIXCGCMNROH-SUMWQHHRSA-N 0 3 297.402 2.437 20 30 CEEDHN N#CCC1(CNCc2ccc3oc(=O)oc3c2)CC1 ZINC000883109470 652366020 /nfs/dbraw/zinc/36/60/20/652366020.db2.gz RQORROSAJYNSQO-UHFFFAOYSA-N 0 3 258.277 2.169 20 30 CEEDHN CSCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000131003246 652366028 /nfs/dbraw/zinc/36/60/28/652366028.db2.gz XHXWNQNCOAMZOZ-LBPRGKRZSA-N 0 3 276.361 2.477 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccc(N(CC)CC)c(F)c1 ZINC000883123582 652369597 /nfs/dbraw/zinc/36/95/97/652369597.db2.gz CUENKCXSTWMPRI-AWEZNQCLSA-N 0 3 278.371 2.146 20 30 CEEDHN 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282.428 2.204 20 30 CEEDHN C=CCOCCN1CCC[C@@H]1CNC(=O)[C@@H](C)C(C)C ZINC001267279190 803325160 /nfs/dbraw/zinc/32/51/60/803325160.db2.gz ZFTHFVNGTHYPJN-LSDHHAIUSA-N 0 3 282.428 2.062 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)CCc2ccsc2)C1 ZINC001267296840 803340505 /nfs/dbraw/zinc/34/05/05/803340505.db2.gz WKGJJORJWZCYNT-HNNXBMFYSA-N 0 3 290.432 2.142 20 30 CEEDHN C#CCN(CCC)CCNC(=O)c1occc1C(C)C ZINC001267316128 803360930 /nfs/dbraw/zinc/36/09/30/803360930.db2.gz GPZXAGOUPKLBBC-UHFFFAOYSA-N 0 3 276.380 2.478 20 30 CEEDHN C#CCN(CCC)CCNC(=O)C[C@H]1CCO[C@H](CC)C1 ZINC001267318054 803362114 /nfs/dbraw/zinc/36/21/14/803362114.db2.gz FQGXFBFLBYRYEN-JKSUJKDBSA-N 0 3 294.439 2.043 20 30 CEEDHN C#CCN(CCC)CCNC(=O)c1cnc2ccccc2c1 ZINC001267317692 803362667 /nfs/dbraw/zinc/36/26/67/803362667.db2.gz IXAPRMQQFUQNLH-UHFFFAOYSA-N 0 3 295.386 2.310 20 30 CEEDHN C=CCN(CCNC(=O)c1ccc(OCC)cc1)C1CC1 ZINC001267337193 803384263 /nfs/dbraw/zinc/38/42/63/803384263.db2.gz KMRMQWOZJKWZRM-UHFFFAOYSA-N 0 3 288.391 2.466 20 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CEEDHN C=CCN1CCC[C@@H]2[C@H](NC(=O)c3ccon3)C(C)(C)[C@H]21 ZINC001087273595 803496256 /nfs/dbraw/zinc/49/62/56/803496256.db2.gz BUUCSVJWCGRIMW-XBFCOCLRSA-N 0 3 289.379 2.079 20 30 CEEDHN C=CCCN1CC[C@@H](N(CCC)C(=O)C(F)F)C1 ZINC001267539842 803537022 /nfs/dbraw/zinc/53/70/22/803537022.db2.gz QWMCZDQJCBQVCZ-LLVKDONJSA-N 0 3 260.328 2.141 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)C(C)(C)C3CC3)C[C@@H]21 ZINC001042197593 803513086 /nfs/dbraw/zinc/51/30/86/803513086.db2.gz FAMRRQBMRXHPEX-HOCLYGCPSA-N 0 3 288.435 2.369 20 30 CEEDHN C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H](C)COC ZINC001267533496 803531567 /nfs/dbraw/zinc/53/15/67/803531567.db2.gz AEJPOJGJVZTBDY-QXSJWSMHSA-N 0 3 294.439 2.299 20 30 CEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)/C(C)=C\C)C1 ZINC001267540566 803537122 /nfs/dbraw/zinc/53/71/22/803537122.db2.gz PANCSLYLAOILEE-GSHXUFRSSA-N 0 3 262.397 2.289 20 30 CEEDHN N#CC1(c2ccnc(-n3nc(CN)c4ccccc43)c2)CC1 ZINC001167698330 803573010 /nfs/dbraw/zinc/57/30/10/803573010.db2.gz 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ZINC001027586106 804137421 /nfs/dbraw/zinc/13/74/21/804137421.db2.gz AXCQATAPNOHDOP-OAHLLOKOSA-N 0 3 295.386 2.338 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](CC)SC)CCC[C@@H]12 ZINC001284049576 804141877 /nfs/dbraw/zinc/14/18/77/804141877.db2.gz DJXRCWVAULGTIQ-UMVBOHGHSA-N 0 3 282.453 2.427 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@H](C)c2cccnc2)C1 ZINC001027601740 804147095 /nfs/dbraw/zinc/14/70/95/804147095.db2.gz HKQZRLUKQABHKI-DOTOQJQBSA-N 0 3 299.418 2.131 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](F)c2ccccc2)C1 ZINC001027597568 804147894 /nfs/dbraw/zinc/14/78/94/804147894.db2.gz LUHKQWOPMYHLEQ-HOTGVXAUSA-N 0 3 288.366 2.253 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC001027661442 804184226 /nfs/dbraw/zinc/18/42/26/804184226.db2.gz GEWLNQFTGGYJMQ-INIZCTEOSA-N 0 3 270.376 2.165 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(F)cc2F)C1 ZINC001027667077 804186284 /nfs/dbraw/zinc/18/62/84/804186284.db2.gz NJFDUPZMFDSJHO-CYBMUJFWSA-N 0 3 292.329 2.134 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc3c2CCC3)C1 ZINC001027699513 804201085 /nfs/dbraw/zinc/20/10/85/804201085.db2.gz FVFRCUMIGYNATH-MRXNPFEDSA-N 0 3 296.414 2.345 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(F)s2)C1 ZINC001027701441 804201776 /nfs/dbraw/zinc/20/17/76/804201776.db2.gz XYOIVBIRMWZIHJ-NSHDSACASA-N 0 3 280.368 2.057 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cccc(F)c1 ZINC001027735555 804228609 /nfs/dbraw/zinc/22/86/09/804228609.db2.gz UHHKVGAGZONJNM-HNNXBMFYSA-N 0 3 274.339 2.043 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001027827472 804280953 /nfs/dbraw/zinc/28/09/53/804280953.db2.gz VIRRPMRDIZHTPC-AWEZNQCLSA-N 0 3 274.364 2.114 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1csnc1C ZINC001027834878 804285104 /nfs/dbraw/zinc/28/51/04/804285104.db2.gz IMIAVGZDOXBCKI-LBPRGKRZSA-N 0 3 279.409 2.222 20 30 CEEDHN Cc1ncc(CNC[C@H](C)N(C)C(=O)C#CC(C)C)s1 ZINC001268059379 804360496 /nfs/dbraw/zinc/36/04/96/804360496.db2.gz GITNYCKUGOYVEN-LBPRGKRZSA-N 0 3 293.436 2.047 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ncc(F)cc1F ZINC001027975663 804375209 /nfs/dbraw/zinc/37/52/09/804375209.db2.gz RRNZQIGJMNRJRV-GFCCVEGCSA-N 0 3 295.333 2.130 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc2ncccc2o1 ZINC001028032786 804404347 /nfs/dbraw/zinc/40/43/47/804404347.db2.gz BLVZFOAUVKZMIA-CYBMUJFWSA-N 0 3 297.358 2.045 20 30 CEEDHN CC[C@H](CC(=O)N(C)[C@H](C)CNCC#CCOC)C(C)C ZINC001268095842 804428768 /nfs/dbraw/zinc/42/87/68/804428768.db2.gz XBSJQRMKCOLAQR-HZPDHXFCSA-N 0 3 296.455 2.145 20 30 CEEDHN C#CCC1(C(=O)N(C)[C@@H](C)CNCCF)CCCCC1 ZINC001268097279 804434301 /nfs/dbraw/zinc/43/43/01/804434301.db2.gz BTQMNHBRJJRPCJ-AWEZNQCLSA-N 0 3 282.403 2.366 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccoc1C1CC1 ZINC001028101730 804457371 /nfs/dbraw/zinc/45/73/71/804457371.db2.gz UHBGJVWDQKLCPJ-AWEZNQCLSA-N 0 3 286.375 2.375 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001028101060 804458111 /nfs/dbraw/zinc/45/81/11/804458111.db2.gz OYCKRDKNBNLNIR-ZBFHGGJFSA-N 0 3 288.366 2.232 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC001028115127 804473186 /nfs/dbraw/zinc/47/31/86/804473186.db2.gz XNSLKJKKVQECHS-OAHLLOKOSA-N 0 3 262.397 2.499 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001028170072 804510185 /nfs/dbraw/zinc/51/01/85/804510185.db2.gz KKSHPURHZYUIHJ-UONOGXRCSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001028185118 804519964 /nfs/dbraw/zinc/51/99/64/804519964.db2.gz QMOPKTCUTFLIMC-BZZMCLGOSA-N 0 3 296.414 2.339 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001028194949 804530365 /nfs/dbraw/zinc/53/03/65/804530365.db2.gz HFAGIMAXINNJLT-JYJNAYRXSA-N 0 3 292.423 2.124 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](CC(C)C)OC ZINC001268248447 804572319 /nfs/dbraw/zinc/57/23/19/804572319.db2.gz BLDBNESQQLBOLY-CQSZACIVSA-N 0 3 270.417 2.014 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001028243195 804607014 /nfs/dbraw/zinc/60/70/14/804607014.db2.gz NKOFNILURFXLQW-AWEZNQCLSA-N 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CEEDHN C=C(C)CN1CC[C@H](NC(=O)C2=CCCCCC2)[C@H](O)C1 ZINC001090220743 809627591 /nfs/dbraw/zinc/62/75/91/809627591.db2.gz CSHKPTGYSKWJDI-JKSUJKDBSA-N 0 3 292.423 2.004 20 30 CEEDHN C#CCNC1(CNC(=O)[C@H]2CCCC[C@@H]2C)CCC1 ZINC001273141041 809702072 /nfs/dbraw/zinc/70/20/72/809702072.db2.gz GZPKURGQUPSGAC-KBPBESRZSA-N 0 3 262.397 2.074 20 30 CEEDHN CC(C)C(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001034865397 809711033 /nfs/dbraw/zinc/71/10/33/809711033.db2.gz XWCDBNWPMBLUCF-GFCCVEGCSA-N 0 3 291.420 2.356 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1c[nH]cc1C)CC2 ZINC001035850452 809821399 /nfs/dbraw/zinc/82/13/99/809821399.db2.gz DVHZCPOEFPCGTB-UHFFFAOYSA-N 0 3 287.407 2.437 20 30 CEEDHN CC(=O)N1CC[C@H](NCc2cc(F)ccc2C#N)[C@H](C)C1 ZINC001035864954 809826545 /nfs/dbraw/zinc/82/65/45/809826545.db2.gz LVYCQWKEDAHXFN-BZNIZROVSA-N 0 3 289.354 2.044 20 30 CEEDHN C#CC1(O)CCN(Cc2cnc3ccccc3c2)CC1 ZINC000708102022 809921813 /nfs/dbraw/zinc/92/18/13/809921813.db2.gz KTWKVNQYLLMYDW-UHFFFAOYSA-N 0 3 266.344 2.195 20 30 CEEDHN C=C(Cl)CNCC1CN(C(=O)OC(C)(C)C)C1 ZINC000710944936 810006735 /nfs/dbraw/zinc/00/67/35/810006735.db2.gz GTGOMHVJJJUVAK-UHFFFAOYSA-N 0 3 260.765 2.195 20 30 CEEDHN CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNCC(C)(C)C#N)C1 ZINC000711403196 810067563 /nfs/dbraw/zinc/06/75/63/810067563.db2.gz YODLUYXAKSFBJG-TXEJJXNPSA-N 0 3 281.400 2.429 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnccc2C)C1 ZINC001079524564 810217936 /nfs/dbraw/zinc/21/79/36/810217936.db2.gz FZYMKOCHNUCUOX-UKRRQHHQSA-N 0 3 273.380 2.016 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001079652143 810226796 /nfs/dbraw/zinc/22/67/96/810226796.db2.gz DITXUTCWRYUECL-TZMCWYRMSA-N 0 3 264.413 2.435 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001079943030 810240442 /nfs/dbraw/zinc/24/04/42/810240442.db2.gz MHFHNGGJBFQXGX-UMVBOHGHSA-N 0 3 264.413 2.435 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC001014955202 810248094 /nfs/dbraw/zinc/24/80/94/810248094.db2.gz BDLDTEXIXPOZLL-ZDUSSCGKSA-N 0 3 261.369 2.012 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001080359566 810272437 /nfs/dbraw/zinc/27/24/37/810272437.db2.gz RVJNDEROXCONMP-GDBMZVCRSA-N 0 3 272.392 2.160 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccco2)C1 ZINC001080429531 810278191 /nfs/dbraw/zinc/27/81/91/810278191.db2.gz CEWMYNMNBSGXCN-MGPQQGTHSA-N 0 3 276.380 2.396 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001015326814 810279003 /nfs/dbraw/zinc/27/90/03/810279003.db2.gz DHAVXAYNWMFNAL-CYBMUJFWSA-N 0 3 293.436 2.069 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001015366975 810284846 /nfs/dbraw/zinc/28/48/46/810284846.db2.gz SMKDOSCGFXDOGC-QKPAOTATSA-N 0 3 274.408 2.027 20 30 CEEDHN CCC(C)(CC)C(=O)NCC1(NCC#CCOC)CCC1 ZINC001273202864 810307239 /nfs/dbraw/zinc/30/72/39/810307239.db2.gz WMSPFFHYNBJZDR-UHFFFAOYSA-N 0 3 294.439 2.091 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cccnc2)C1 ZINC001080795230 810308869 /nfs/dbraw/zinc/30/88/69/810308869.db2.gz HWUDDHKFIYKISE-IJEWVQPXSA-N 0 3 287.407 2.198 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001015584493 810309246 /nfs/dbraw/zinc/30/92/46/810309246.db2.gz LERQRBXBXJWKCF-ZDUSSCGKSA-N 0 3 275.396 2.347 20 30 CEEDHN CCCCCCCC[C@H](N)C(=O)NCc1cnn(C)c1 ZINC001121854621 815360488 /nfs/dbraw/zinc/36/04/88/815360488.db2.gz QFRCPGDSXLGYLE-AWEZNQCLSA-N 0 3 280.416 2.114 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)CC2CCC2)C[C@H]1c1ccccc1 ZINC001081102842 810331680 /nfs/dbraw/zinc/33/16/80/810331680.db2.gz WKJDYGBAYCTBAN-ZWKOTPCHSA-N 0 3 296.414 2.394 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)/C=C/C2CC2)C[C@H]1c1ccccc1 ZINC001081101158 810331713 /nfs/dbraw/zinc/33/17/13/810331713.db2.gz NMXXGQQQMWCJFM-WFJXPABVSA-N 0 3 294.398 2.170 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001015742776 810343785 /nfs/dbraw/zinc/34/37/85/810343785.db2.gz BNGNSWLELLUINT-OAHLLOKOSA-N 0 3 286.375 2.002 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001015745302 810344415 /nfs/dbraw/zinc/34/44/15/810344415.db2.gz WMOHGPFEIJUJTN-NSHDSACASA-N 0 3 298.308 2.484 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC001015774523 810352823 /nfs/dbraw/zinc/35/28/23/810352823.db2.gz GIFFTFIXYNCSRT-KRWDZBQOSA-N 0 3 284.403 2.005 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccsc2C)C1 ZINC001015797566 810356875 /nfs/dbraw/zinc/35/68/75/810356875.db2.gz JIQZSPJRJRVRGK-AWEZNQCLSA-N 0 3 278.421 2.366 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NCCCNCc1conc1C ZINC001164346959 810357496 /nfs/dbraw/zinc/35/74/96/810357496.db2.gz ZAKQUNQFPHRIJB-LBPRGKRZSA-N 0 3 279.384 2.181 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001015918977 810371450 /nfs/dbraw/zinc/37/14/50/810371450.db2.gz GWZSAAPQWNSAFS-ZDUSSCGKSA-N 0 3 273.380 2.272 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001015949061 810377194 /nfs/dbraw/zinc/37/71/94/810377194.db2.gz IBKNIIXWWDRIOQ-QGZVFWFLSA-N 0 3 293.370 2.062 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001015951743 810378359 /nfs/dbraw/zinc/37/83/59/810378359.db2.gz SASDKHMJXNNDAI-KBPBESRZSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2sccc2COC)C1 ZINC001015990777 810385746 /nfs/dbraw/zinc/38/57/46/810385746.db2.gz QETMPUJNQPLYDF-ZDUSSCGKSA-N 0 3 294.420 2.275 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC001016020361 810388928 /nfs/dbraw/zinc/38/89/28/810388928.db2.gz RXVKAFYVQURDIT-QGZVFWFLSA-N 0 3 298.430 2.486 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC001172319743 815370578 /nfs/dbraw/zinc/37/05/78/815370578.db2.gz QURGMAQYEWNDGQ-SUMWQHHRSA-N 0 3 299.374 2.064 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C(C)=C2CCC2)CC1 ZINC001016623228 810458616 /nfs/dbraw/zinc/45/86/16/810458616.db2.gz MZPHJYCETNSUBX-MRXNPFEDSA-N 0 3 286.419 2.481 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2[nH]ccc2C2CC2)CC1 ZINC001016653996 810460345 /nfs/dbraw/zinc/46/03/45/810460345.db2.gz DMTSKYGBNGJYFL-OAHLLOKOSA-N 0 3 297.402 2.110 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C2(F)CCCC2)CC1 ZINC001016698262 810462545 /nfs/dbraw/zinc/46/25/45/810462545.db2.gz LZIAXXURZXGYTI-CQSZACIVSA-N 0 3 292.398 2.263 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@H]2C=CCCC2)CC1 ZINC001016687999 810463174 /nfs/dbraw/zinc/46/31/74/810463174.db2.gz HWKVQZCNSJWQCG-HOTGVXAUSA-N 0 3 286.419 2.337 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H](C)c2ccccc2)CC1 ZINC001016940065 810478373 /nfs/dbraw/zinc/47/83/73/810478373.db2.gz IKBHJAVSTSRXDK-WBVHZDCISA-N 0 3 296.414 2.394 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1SCC ZINC001121973086 815372902 /nfs/dbraw/zinc/37/29/02/815372902.db2.gz KNRSKRMHKOITTP-XQQFMLRXSA-N 0 3 270.442 2.460 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)C(C)(F)F)[C@@H]2C1 ZINC001084668208 810498128 /nfs/dbraw/zinc/49/81/28/810498128.db2.gz MNQUCJRJNANQDX-JHJVBQTASA-N 0 3 286.366 2.387 20 30 CEEDHN C=C1CCC(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC001119524293 810501165 /nfs/dbraw/zinc/50/11/65/810501165.db2.gz JNTMOICEXGJLLG-IUODEOHRSA-N 0 3 262.397 2.332 20 30 CEEDHN CCCCCCCC[C@@H](N)C(=O)N(C)Cc1c[nH]cn1 ZINC001122054829 815381482 /nfs/dbraw/zinc/38/14/82/815381482.db2.gz AHAVZLRLIRECDA-CQSZACIVSA-N 0 3 280.416 2.446 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ncoc1C ZINC001085145886 810612291 /nfs/dbraw/zinc/61/22/91/810612291.db2.gz OSEJGBSRIWKIAL-VXGBXAGGSA-N 0 3 297.786 2.366 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ocnc1C ZINC001085161740 810615647 /nfs/dbraw/zinc/61/56/47/810615647.db2.gz MDPXZWUJURINQT-VXGBXAGGSA-N 0 3 297.786 2.366 20 30 CEEDHN CC(C)=CC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001018452485 810621041 /nfs/dbraw/zinc/62/10/41/810621041.db2.gz UNPHTYVKHAVPEK-LBPRGKRZSA-N 0 3 289.404 2.276 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc(C)c(Cl)cc2C)C1 ZINC001019228889 810687657 /nfs/dbraw/zinc/68/76/57/810687657.db2.gz MGPDFSRDIXAOSO-ZDUSSCGKSA-N 0 3 290.794 2.394 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2NCCF)C1 ZINC001085325228 810725106 /nfs/dbraw/zinc/72/51/06/810725106.db2.gz DAYVYLWSCBTSEG-CHWSQXEVSA-N 0 3 268.376 2.329 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC001019695843 810730725 /nfs/dbraw/zinc/73/07/25/810730725.db2.gz QDMMRZYKDQLWNH-NSHDSACASA-N 0 3 297.185 2.431 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1nc2c(cccc2OC)[nH]1 ZINC001122200705 815392693 /nfs/dbraw/zinc/39/26/93/815392693.db2.gz HNTFBRDTGBENKO-SNVBAGLBSA-N 0 3 288.351 2.194 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1oncc1C ZINC001085380714 810737062 /nfs/dbraw/zinc/73/70/62/810737062.db2.gz MFNMLJDUXWWJJF-VXGBXAGGSA-N 0 3 297.786 2.366 20 30 CEEDHN CC#CCNC[C@H]1CN(C(=O)CCCCC(C)C)CCO1 ZINC001273330588 810745743 /nfs/dbraw/zinc/74/57/43/810745743.db2.gz DGKVSZMUQYTFPD-INIZCTEOSA-N 0 3 294.439 2.043 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)nc1 ZINC001085517993 810802991 /nfs/dbraw/zinc/80/29/91/810802991.db2.gz HGWDLYJJJUTDPL-CQSZACIVSA-N 0 3 291.370 2.333 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccncc1F ZINC001085528399 810808817 /nfs/dbraw/zinc/80/88/17/810808817.db2.gz XMWUDPMILNQBFO-ZDUSSCGKSA-N 0 3 291.370 2.333 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C ZINC001085539419 810818027 /nfs/dbraw/zinc/81/80/27/810818027.db2.gz WCLHRKWDDHTTMQ-CQSZACIVSA-N 0 3 275.396 2.436 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCO1 ZINC001085545281 810819598 /nfs/dbraw/zinc/81/95/98/810819598.db2.gz GYXDFEXXDUEEML-GJZGRUSLSA-N 0 3 280.412 2.054 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC1(C)C ZINC001085553180 810821946 /nfs/dbraw/zinc/82/19/46/810821946.db2.gz YJVKIXKJMXTJRH-OLZOCXBDSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001038327607 810823383 /nfs/dbraw/zinc/82/33/83/810823383.db2.gz PGYZQTXXAAJJMS-ZDUSSCGKSA-N 0 3 273.380 2.272 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(F)cn1 ZINC001085556822 810826091 /nfs/dbraw/zinc/82/60/91/810826091.db2.gz BJFGGRUDLLKVMC-AWEZNQCLSA-N 0 3 291.370 2.333 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ncn2ccc(C)cc12 ZINC001038440072 810842020 /nfs/dbraw/zinc/84/20/20/810842020.db2.gz VGVUDMAFUYMFBE-AWEZNQCLSA-N 0 3 298.390 2.023 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccnn1C(C)C ZINC001085617669 810854926 /nfs/dbraw/zinc/85/49/26/810854926.db2.gz UCFQOWJHRJTOMN-CQSZACIVSA-N 0 3 290.411 2.186 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001038605851 810872904 /nfs/dbraw/zinc/87/29/04/810872904.db2.gz DIXZSYYKNQPUQD-AWEZNQCLSA-N 0 3 262.397 2.333 20 30 CEEDHN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CCC=C)cc1 ZINC001085757578 810902733 /nfs/dbraw/zinc/90/27/33/810902733.db2.gz KXLYPIDNPKSVKG-KRWDZBQOSA-N 0 3 282.387 2.390 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CC(F)(F)CC[C@@H]1C ZINC001122381704 815407086 /nfs/dbraw/zinc/40/70/86/815407086.db2.gz WPHUFTHVGTZYHH-QWRGUYRKSA-N 0 3 260.328 2.316 20 30 CEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCN1CC(C)C ZINC001038800977 810920555 /nfs/dbraw/zinc/92/05/55/810920555.db2.gz WPXBGNPOBOGCDK-JYJNAYRXSA-N 0 3 294.439 2.204 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccn(CC)n1 ZINC001085855893 810945995 /nfs/dbraw/zinc/94/59/95/810945995.db2.gz LZRGAWXZJVFGSZ-CQSZACIVSA-N 0 3 290.411 2.016 20 30 CEEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cc[nH]c2)C1 ZINC001039201534 810998882 /nfs/dbraw/zinc/99/88/82/810998882.db2.gz DBWLRWAJLVGBRD-SJORKVTESA-N 0 3 299.418 2.355 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC1 ZINC001039319299 811008133 /nfs/dbraw/zinc/00/81/33/811008133.db2.gz YFBDIUUCMNSMBK-CABCVRRESA-N 0 3 262.397 2.428 20 30 CEEDHN CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001039343555 811014945 /nfs/dbraw/zinc/01/49/45/811014945.db2.gz WXTXMDARHOWXJR-KFWWJZLASA-N 0 3 275.396 2.178 20 30 CEEDHN C=CCC[C@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC001122466121 815415208 /nfs/dbraw/zinc/41/52/08/815415208.db2.gz KGXBOYYNHCBZBC-KBPBESRZSA-N 0 3 263.385 2.355 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001039423111 811027593 /nfs/dbraw/zinc/02/75/93/811027593.db2.gz BLWRVFSLGVDXDL-HMDCTGQHSA-N 0 3 286.419 2.121 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C)c1 ZINC001039457253 811034801 /nfs/dbraw/zinc/03/48/01/811034801.db2.gz KECBJYJITURXHT-SJORKVTESA-N 0 3 297.402 2.092 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC2(F)F)C1 ZINC001086117690 811035765 /nfs/dbraw/zinc/03/57/65/811035765.db2.gz XXHVPEWSCIFITJ-OUAUKWLOSA-N 0 3 292.757 2.269 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001086211636 811063891 /nfs/dbraw/zinc/06/38/91/811063891.db2.gz LZWQLLNDRFKXOO-BETUJISGSA-N 0 3 295.814 2.482 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC001040375931 811108560 /nfs/dbraw/zinc/10/85/60/811108560.db2.gz KDVXNZPCRUAZJA-MRXNPFEDSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C3CC4(CC4)C3)C2)C1 ZINC001040388316 811109918 /nfs/dbraw/zinc/10/99/18/811109918.db2.gz MSDWFSAYBLIIOA-SFHVURJKSA-N 0 3 286.419 2.124 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)[C@@H]3CC=CCC3)C2)CC1 ZINC001040603811 811118707 /nfs/dbraw/zinc/11/87/07/811118707.db2.gz WDGVLFALXOUOPM-MRXNPFEDSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3ccccc3C)C2)C1 ZINC001041033149 811136879 /nfs/dbraw/zinc/13/68/79/811136879.db2.gz MAMYVJSNNGSSJW-GOSISDBHSA-N 0 3 282.387 2.166 20 30 CEEDHN C=C[C@@H](CC)CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC001122561445 815426029 /nfs/dbraw/zinc/42/60/29/815426029.db2.gz DUOCTSNHKICUOX-WCQYABFASA-N 0 3 262.353 2.356 20 30 CEEDHN C#CCN1CC[C@@H]2CCN(C(=O)CCC3CCC3)C[C@H]21 ZINC001042001232 811230838 /nfs/dbraw/zinc/23/08/38/811230838.db2.gz UPBOCQZJLFCZJF-HZPDHXFCSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN1CC[C@@H]2CCN(C(=O)Cc3cccc(C)c3)C[C@H]21 ZINC001042212453 811256165 /nfs/dbraw/zinc/25/61/65/811256165.db2.gz DPVQVZRGEROSOU-QZTJIDSGSA-N 0 3 296.414 2.094 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cccn3CC)C[C@H]21 ZINC001042356057 811272850 /nfs/dbraw/zinc/27/28/50/811272850.db2.gz QQWAXFNROSHWLF-GDBMZVCRSA-N 0 3 287.407 2.230 20 30 CEEDHN CCCCN(CCC#N)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169027455 811339402 /nfs/dbraw/zinc/33/94/02/811339402.db2.gz PXXVALSTFORUKI-CHWSQXEVSA-N 0 3 253.346 2.448 20 30 CEEDHN N#CC(C(=O)c1cnn(C2CC2)c1)c1cccc(F)n1 ZINC001122734654 815440864 /nfs/dbraw/zinc/44/08/64/815440864.db2.gz DITLASQIMBMUTP-NSHDSACASA-N 0 3 270.267 2.242 20 30 CEEDHN C[C@@H](N)c1ccn(-c2ncc3ccccc3c2C#N)n1 ZINC001169229355 811441884 /nfs/dbraw/zinc/44/18/84/811441884.db2.gz WLUMRAPKAOSRNL-SNVBAGLBSA-N 0 3 263.304 2.312 20 30 CEEDHN Cc1c(Cl)cnc(-n2ccc([C@@H](C)N)n2)c1C#N ZINC001169229188 811442362 /nfs/dbraw/zinc/44/23/62/811442362.db2.gz GFZYJQGMRQSQLV-MRVPVSSYSA-N 0 3 261.716 2.121 20 30 CEEDHN CN(C)/C=N/c1ccc(N[C@H]2CCC[C@@H](O)C2)cc1C#N ZINC001169251347 811464429 /nfs/dbraw/zinc/46/44/29/811464429.db2.gz UHSGPZUXTUZRRB-OCUXDJNSSA-N 0 3 286.379 2.495 20 30 CEEDHN C[C@H](CCCC#N)N1CCC(O)(C(F)(F)F)CC1 ZINC001172491956 815451795 /nfs/dbraw/zinc/45/17/95/815451795.db2.gz ILMKARWCFUWHTQ-SNVBAGLBSA-N 0 3 264.291 2.458 20 30 CEEDHN CCc1cc(NC(=NO)c2ccc(C)cn2)ccn1 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ZINC001045402634 811607108 /nfs/dbraw/zinc/60/71/08/811607108.db2.gz UBBYSSCWYXLQIR-UHFFFAOYSA-N 0 3 284.350 2.026 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2ccnn2CCC)CC1 ZINC001045452157 811613419 /nfs/dbraw/zinc/61/34/19/811613419.db2.gz GPNSYQBTOJXLOD-UHFFFAOYSA-N 0 3 290.411 2.063 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1C[C@H]1C(C)C ZINC001169681175 811619870 /nfs/dbraw/zinc/61/98/70/811619870.db2.gz NLOQOKAEVQILDJ-RYUDHWBXSA-N 0 3 258.793 2.127 20 30 CEEDHN CC(C)[C@H]1C[C@H]1C(=O)NCCCNCc1ccccc1C#N ZINC001169693736 811623726 /nfs/dbraw/zinc/62/37/26/811623726.db2.gz SLFSBSLOLYYVMP-IAGOWNOFSA-N 0 3 299.418 2.446 20 30 CEEDHN C#C[C@](C)(CC)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001169701570 811630774 /nfs/dbraw/zinc/63/07/74/811630774.db2.gz NXNNCGRQLTZDFZ-CQSZACIVSA-N 0 3 259.309 2.412 20 30 CEEDHN C#CC1(N[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169735274 811652989 /nfs/dbraw/zinc/65/29/89/811652989.db2.gz HOSPFVHQECFKLI-HNNXBMFYSA-N 0 3 268.360 2.047 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(F)cc2)C1 ZINC001046104703 811684998 /nfs/dbraw/zinc/68/49/98/811684998.db2.gz RCCAJEKMXDONLK-MRXNPFEDSA-N 0 3 274.339 2.043 20 30 CEEDHN C=CCCN1CC[C@](C)(NC(=O)c2cnc(C)s2)C1 ZINC001046188039 811703849 /nfs/dbraw/zinc/70/38/49/811703849.db2.gz YUYRALHSWQWEEE-AWEZNQCLSA-N 0 3 279.409 2.222 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CCN(CC(=C)C)C1 ZINC001046327675 811736348 /nfs/dbraw/zinc/73/63/48/811736348.db2.gz PHFKVGUHSZPBNP-VYDXJSESSA-N 0 3 292.423 2.124 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc(F)c(F)c2)C1 ZINC001046374482 811744572 /nfs/dbraw/zinc/74/45/72/811744572.db2.gz PAARJYNFLRGAEH-INIZCTEOSA-N 0 3 292.329 2.182 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001046378212 811747191 /nfs/dbraw/zinc/74/71/91/811747191.db2.gz SONCPHGJSLKGLR-GOSISDBHSA-N 0 3 299.418 2.423 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001046397100 811748693 /nfs/dbraw/zinc/74/86/93/811748693.db2.gz RREXJQAKDACOKW-QGZVFWFLSA-N 0 3 298.390 2.333 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001046510912 811765414 /nfs/dbraw/zinc/76/54/14/811765414.db2.gz ZAMRPXDOXOFCFI-CUSZFKRNSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001046565735 811775463 /nfs/dbraw/zinc/77/54/63/811775463.db2.gz SXNNIVAQAMUQLA-CRAIPNDOSA-N 0 3 299.418 2.268 20 30 CEEDHN C=CCCN1CC[C@](C)(NC(=O)c2ocnc2C(F)F)C1 ZINC001046622473 811787187 /nfs/dbraw/zinc/78/71/87/811787187.db2.gz BVLLEZFPEMUDOW-AWEZNQCLSA-N 0 3 299.321 2.383 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)C2Cc3ccccc3C2)C1 ZINC001046654251 811792978 /nfs/dbraw/zinc/79/29/78/811792978.db2.gz FPVOGSPKSPAKCE-IBGZPJMESA-N 0 3 296.414 2.005 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)C2Cc3ccccc3C2)C1 ZINC001046655092 811793204 /nfs/dbraw/zinc/79/32/04/811793204.db2.gz LJRPKUZUKNKIMX-SFHVURJKSA-N 0 3 284.403 2.168 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cc(C)c(CC)o2)C1 ZINC001046765143 811811506 /nfs/dbraw/zinc/81/15/06/811811506.db2.gz OHMSYPRVUYDUDZ-QGZVFWFLSA-N 0 3 288.391 2.368 20 30 CEEDHN C=CCCN1CC[C@@](C)(NC(=O)c2cnc(CC)s2)C1 ZINC001046870018 811832610 /nfs/dbraw/zinc/83/26/10/811832610.db2.gz SJJSQVTUAXPRQZ-OAHLLOKOSA-N 0 3 293.436 2.476 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H](C)OC)C2 ZINC001109186179 811834037 /nfs/dbraw/zinc/83/40/37/811834037.db2.gz UTHPBBRGUKPXAB-KBXIAJHMSA-N 0 3 280.412 2.099 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CCF)C3)C1 ZINC001047143990 811863410 /nfs/dbraw/zinc/86/34/10/811863410.db2.gz WFMPLIAXMKZYCG-IHRRRGAJSA-N 0 3 280.387 2.281 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)=C(C)C)C2 ZINC001109611545 811912584 /nfs/dbraw/zinc/91/25/84/811912584.db2.gz MVXXXADXZHHAOE-PMPSAXMXSA-N 0 3 274.408 2.478 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC#CC)C2 ZINC001109625136 811917305 /nfs/dbraw/zinc/91/73/05/811917305.db2.gz QRMMAIKNFBDHIA-PMPSAXMXSA-N 0 3 274.408 2.478 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(=C)C)C2 ZINC001109632725 811919835 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C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001157153250 812026538 /nfs/dbraw/zinc/02/65/38/812026538.db2.gz FXYTXQHSHQKJLS-PRLABOORSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCCCC(=O)N1CCN(C[C@@H](C)CC)CC1 ZINC001112774090 812063653 /nfs/dbraw/zinc/06/36/53/812063653.db2.gz GWTOOBYYRLIFDP-HNNXBMFYSA-N 0 3 264.413 2.370 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001049044971 812063924 /nfs/dbraw/zinc/06/39/24/812063924.db2.gz LIWRMGGGXIDIGG-HRCADAONSA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCCCC(=O)N1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001112809544 812069804 /nfs/dbraw/zinc/06/98/04/812069804.db2.gz KQFLVAKRZRGIGA-IXDOHACOSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@]3(C)C(C)C)C[C@@H]2C1 ZINC001049145458 812077710 /nfs/dbraw/zinc/07/77/10/812077710.db2.gz QALQLSWCVJRWLF-UIBIWLFHSA-N 0 3 288.435 2.082 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCCC1 ZINC001049280143 812104941 /nfs/dbraw/zinc/10/49/41/812104941.db2.gz 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/nfs/dbraw/zinc/14/91/40/812149140.db2.gz ZQSLRAKZKDILGR-SJORKVTESA-N 0 3 299.418 2.279 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1cnccc1C ZINC001049529336 812159997 /nfs/dbraw/zinc/15/99/97/812159997.db2.gz LKAFCEYTCGZSFN-IAGOWNOFSA-N 0 3 299.418 2.184 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCO[C@H]1CC ZINC001049609196 812172875 /nfs/dbraw/zinc/17/28/75/812172875.db2.gz GAMZMGFXFWTHDS-QXSJWSMHSA-N 0 3 292.423 2.053 20 30 CEEDHN CC#CCCCC(=O)N1CCN(C[C@H](C)CC)CC1 ZINC001113226289 812187195 /nfs/dbraw/zinc/18/71/95/812187195.db2.gz VJQOVVBKWHBZMF-OAHLLOKOSA-N 0 3 264.413 2.370 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(C)CCCOC1 ZINC001049817811 812214837 /nfs/dbraw/zinc/21/48/37/812214837.db2.gz OBHSTWGKRZOOSP-UXLLHSPISA-N 0 3 292.423 2.054 20 30 CEEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(C)CC2)C1 ZINC001086589677 812230378 /nfs/dbraw/zinc/23/03/78/812230378.db2.gz MXCXRZSPSKYHGC-DLBZAZTESA-N 0 3 296.414 2.394 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncoc1CC)C2 ZINC001096901121 812293185 /nfs/dbraw/zinc/29/31/85/812293185.db2.gz YSJGSHJHVQJJRD-UPJWGTAASA-N 0 3 289.379 2.148 20 30 CEEDHN CC(C)C#CC(=O)NCCCNCc1ccc(F)cc1F ZINC001157633264 812295066 /nfs/dbraw/zinc/29/50/66/812295066.db2.gz SRUCGPRINCCPSI-UHFFFAOYSA-N 0 3 294.345 2.220 20 30 CEEDHN C=CCO[C@H](C)C(=O)N1CCN(CC(CC)CC)CC1 ZINC001113713634 812305061 /nfs/dbraw/zinc/30/50/61/812305061.db2.gz USLOUZFSXODGAS-CQSZACIVSA-N 0 3 282.428 2.158 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)CC=CCC1)C2 ZINC001097129889 812331263 /nfs/dbraw/zinc/33/12/63/812331263.db2.gz OMNKQFVMKWUMIP-CBZIJGRNSA-N 0 3 286.419 2.478 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cccc1)C2 ZINC001111444947 812343952 /nfs/dbraw/zinc/34/39/52/812343952.db2.gz YEWRFJWKJOMTDV-ZACQAIPSSA-N 0 3 299.418 2.013 20 30 CEEDHN N#CC1(c2ccccc2)CCC(N2CCCNC(=O)C2)CC1 ZINC001170379383 812403908 /nfs/dbraw/zinc/40/39/08/812403908.db2.gz WQLDHNRXISBSNQ-UHFFFAOYSA-N 0 3 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C=CCCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC(=C)C)C2)C1 ZINC001131645177 812698943 /nfs/dbraw/zinc/69/89/43/812698943.db2.gz CBRAHSNUXRIDAM-NVXWUHKLSA-N 0 3 292.423 2.221 20 30 CEEDHN C=CCN1C[C@H](NC(=O)/C=C/c2ccco2)CC[C@H]1C ZINC001131783563 812728552 /nfs/dbraw/zinc/72/85/52/812728552.db2.gz GDLXSWGLDJAWID-SJXIGLKTSA-N 0 3 274.364 2.448 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C(CC)CC)CC[C@@H]1C ZINC001131840033 812736880 /nfs/dbraw/zinc/73/68/80/812736880.db2.gz ZEAAILSRFXLMCK-DZGCQCFKSA-N 0 3 264.413 2.415 20 30 CEEDHN C=CCCC(=O)N[C@H]1CC[C@H](C)N(CCOCC=C)C1 ZINC001131895556 812753291 /nfs/dbraw/zinc/75/32/91/812753291.db2.gz KIRWTMZXEHQHBV-GJZGRUSLSA-N 0 3 280.412 2.124 20 30 CEEDHN C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)CN1CCCF ZINC001132033548 812777760 /nfs/dbraw/zinc/77/77/60/812777760.db2.gz HXRFQBSFDNJDHD-UONOGXRCSA-N 0 3 282.403 2.365 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)CCc3cccnc3)[C@@H]2C1 ZINC001050089273 812780764 /nfs/dbraw/zinc/78/07/64/812780764.db2.gz WWVNGQXVYFMBRN-DLBZAZTESA-N 0 3 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C#CCCN1C[C@H](NC(=O)c2cc(C)cc(C)n2)CC[C@H]1C ZINC001071627985 813454007 /nfs/dbraw/zinc/45/40/07/813454007.db2.gz MNTINPJFLOBFLG-HZPDHXFCSA-N 0 3 299.418 2.304 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C)c(C)n2)CC[C@H]1C ZINC001071685358 813465220 /nfs/dbraw/zinc/46/52/20/813465220.db2.gz AFSCWCCKQMDSQL-ZBFHGGJFSA-N 0 3 299.418 2.304 20 30 CEEDHN C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)N(CCCO)C2)CC1 ZINC001071796762 813486244 /nfs/dbraw/zinc/48/62/44/813486244.db2.gz WYLDGLRURZOUSP-ZBFHGGJFSA-N 0 3 294.439 2.084 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2occc2CC)CC[C@@H]1C ZINC001071799906 813486795 /nfs/dbraw/zinc/48/67/95/813486795.db2.gz OQWBKFPKZQRMRU-ZFWWWQNUSA-N 0 3 288.391 2.448 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2(C)CC(F)(F)C2)CC[C@H]1C ZINC001071981299 813524149 /nfs/dbraw/zinc/52/41/49/813524149.db2.gz IQBMJYDAHSHFHE-CHWSQXEVSA-N 0 3 298.377 2.414 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cccn2CC)CC[C@H]1C ZINC001072076423 813540608 /nfs/dbraw/zinc/54/06/08/813540608.db2.gz 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/nfs/dbraw/zinc/18/55/97/814185597.db2.gz YSRQDNJFOWSNPU-UHFFFAOYSA-N 0 3 282.771 2.059 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2conc2CC)C1 ZINC001091220371 814187851 /nfs/dbraw/zinc/18/78/51/814187851.db2.gz ZMDYWVSJVCWDRF-UHFFFAOYSA-N 0 3 297.786 2.088 20 30 CEEDHN CCNC(=O)[C@@H]1CCCN1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171230122 814203140 /nfs/dbraw/zinc/20/31/40/814203140.db2.gz AUFYDINYKXLPRD-BBRMVZONSA-N 0 3 285.391 2.090 20 30 CEEDHN CCCCCCC[C@H](C)N1CCNC[C@H]1C(=O)OC ZINC001246627696 814228783 /nfs/dbraw/zinc/22/87/83/814228783.db2.gz WOCPAPJGYHCGSZ-KBPBESRZSA-N 0 3 270.417 2.182 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)CC(CC)CC)C[C@]2(C)C1 ZINC001101407266 814257055 /nfs/dbraw/zinc/25/70/55/814257055.db2.gz VKODIDXFRRQHNX-WBVHZDCISA-N 0 3 276.424 2.226 20 30 CEEDHN CCC(=O)NC[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1C ZINC001101659650 814287937 /nfs/dbraw/zinc/28/79/37/814287937.db2.gz WQTIKBKARZWRNN-VXGBXAGGSA-N 0 3 291.420 2.214 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CC2(C1)CCN(CC#CC)C2 ZINC001147637130 814473104 /nfs/dbraw/zinc/47/31/04/814473104.db2.gz WOOHTTSKTFLWAY-UHFFFAOYSA-N 0 3 286.419 2.312 20 30 CEEDHN CC#CCNCCNC(=O)C(C)(C)c1ccccc1Cl ZINC001148412209 814561318 /nfs/dbraw/zinc/56/13/18/814561318.db2.gz URHVKVRVAMELQC-UHFFFAOYSA-N 0 3 292.810 2.347 20 30 CEEDHN C[C@H](C#N)c1cccc(C(=O)N2C[C@H]3[C@H](C2)CCCN3C)c1 ZINC001148615060 814595920 /nfs/dbraw/zinc/59/59/20/814595920.db2.gz INOKVBAIUUEMBS-COXVUDFISA-N 0 3 297.402 2.480 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CC(C)(F)F)C2)CC1 ZINC001086941092 814652561 /nfs/dbraw/zinc/65/25/61/814652561.db2.gz IYTSEKBAQCBJQO-ZDUSSCGKSA-N 0 3 298.377 2.368 20 30 CEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[C@H]3C)C2)CC1 ZINC001086937507 814652803 /nfs/dbraw/zinc/65/28/03/814652803.db2.gz QZIVXODSBVCWEG-BZUAXINKSA-N 0 3 288.435 2.369 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)Cc3ccccc3)C[C@]2(C)C1 ZINC001091790549 814671700 /nfs/dbraw/zinc/67/17/00/814671700.db2.gz DVMWNPGNIHBDMA-MJGOQNOKSA-N 0 3 296.414 2.033 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C[C@]2(C)C1 ZINC001091845052 814673537 /nfs/dbraw/zinc/67/35/37/814673537.db2.gz FWVXSFGFZIWQJM-ADAWSYLGSA-N 0 3 288.435 2.082 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@]2(C)C1 ZINC001092224725 814696567 /nfs/dbraw/zinc/69/65/67/814696567.db2.gz LNRDKHWLDASUFU-AEFFLSMTSA-N 0 3 282.387 2.022 20 30 CEEDHN C=C(Cl)CNC1(CNC(=O)c2cocn2)CCCCC1 ZINC001115447751 814708648 /nfs/dbraw/zinc/70/86/48/814708648.db2.gz BBJHKXHXUBEWOI-UHFFFAOYSA-N 0 3 297.786 2.449 20 30 CEEDHN N#CC[C@H]1CCCN(C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000712688505 814761729 /nfs/dbraw/zinc/76/17/29/814761729.db2.gz KEPQAGZQZJWJOQ-HUUCEWRRSA-N 0 3 278.396 2.198 20 30 CEEDHN N=C(N[C@@H]1CCc2ncsc2C1)c1ccc(Cl)cn1 ZINC001173124191 815588285 /nfs/dbraw/zinc/58/82/85/815588285.db2.gz LTZGYQKOJDRCRZ-SECBINFHSA-N 0 3 292.795 2.454 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H]2[C@@H](CCN2CCF)C1 ZINC001036793339 814911567 /nfs/dbraw/zinc/91/15/67/814911567.db2.gz CPEQWYBUVWYPCO-KBPBESRZSA-N 0 3 282.403 2.481 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2CCF)C1 ZINC001036793342 814912243 /nfs/dbraw/zinc/91/22/43/814912243.db2.gz CPEQWYBUVWYPCO-ZIAGYGMSSA-N 0 3 282.403 2.481 20 30 CEEDHN N#CCC1CCC(N[C@H](C(N)=O)c2ccccc2)CC1 ZINC001173327422 815676353 /nfs/dbraw/zinc/67/63/53/815676353.db2.gz BCKRQXWBGUGQIS-ZALBZXLWSA-N 0 3 271.364 2.275 20 30 CEEDHN COC(=O)CCCC[C@@H](C)N1CC[C@](C)(C#N)C1 ZINC001173459502 815738867 /nfs/dbraw/zinc/73/88/67/815738867.db2.gz MVWXZGDMYSHKPR-TZMCWYRMSA-N 0 3 252.358 2.344 20 30 CEEDHN C=CCc1cccc(C[NH+]2CC3(CC(O)C3)C2)c1[O-] ZINC001138624928 815846508 /nfs/dbraw/zinc/84/65/08/815846508.db2.gz VGFXVNKKROACAQ-UHFFFAOYSA-N 0 3 259.349 2.077 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)c1[O-] ZINC001138625967 815850070 /nfs/dbraw/zinc/85/00/70/815850070.db2.gz YVBJEQOQOSLTQZ-GJZGRUSLSA-N 0 3 279.355 2.416 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c1[O-] ZINC001138625967 815850079 /nfs/dbraw/zinc/85/00/79/815850079.db2.gz YVBJEQOQOSLTQZ-GJZGRUSLSA-N 0 3 279.355 2.416 20 30 CEEDHN C#Cc1nc(Br)cnc1Nc1ccncc1C ZINC001174536891 816023125 /nfs/dbraw/zinc/02/31/25/816023125.db2.gz NKBKJNPVUQUJAB-UHFFFAOYSA-N 0 3 289.136 2.089 20 30 CEEDHN C[C@H]1CN(Cc2ccc(C#N)c(F)c2)CCC[C@@H]1O ZINC001139526945 816038569 /nfs/dbraw/zinc/03/85/69/816038569.db2.gz PMYSDGSKWJZAQL-NHYWBVRUSA-N 0 3 262.328 2.290 20 30 CEEDHN N#Cc1ccc(F)c(CN2CCC3SC(=O)C=C3C2)c1 ZINC001139646171 816072711 /nfs/dbraw/zinc/07/27/11/816072711.db2.gz KRQGHORFDXIMSJ-AWEZNQCLSA-N 0 3 288.347 2.471 20 30 CEEDHN Cc1ccc(CN2CC[C@@](C)(O)[C@@H](C)C2)cc1C#N ZINC001139722657 816095749 /nfs/dbraw/zinc/09/57/49/816095749.db2.gz DUHYDAXXORBWNL-XJKSGUPXSA-N 0 3 258.365 2.460 20 30 CEEDHN C=CCN1CC[C@@]2(CCCN(Cc3cc[nH]c3)C2)C1=O ZINC001140706046 816327300 /nfs/dbraw/zinc/32/73/00/816327300.db2.gz ALWDINVEUDZJCN-MRXNPFEDSA-N 0 3 273.380 2.015 20 30 CEEDHN CCCN1CCN(Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140754613 816345943 /nfs/dbraw/zinc/34/59/43/816345943.db2.gz FCPYSTVRYVWZAE-UHFFFAOYSA-N 0 3 279.334 2.364 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)CC#Cc1ccccc1 ZINC001176762472 816475185 /nfs/dbraw/zinc/47/51/85/816475185.db2.gz CQBRFWWJLKAKGT-UHFFFAOYSA-N 0 3 290.794 2.277 20 30 CEEDHN CN(CC(=O)NCCC#N)[C@H]1CCC[C@H]1c1ccccc1 ZINC000839171160 816566063 /nfs/dbraw/zinc/56/60/63/816566063.db2.gz ZTKAHZRBBKQBAJ-HOTGVXAUSA-N 0 3 285.391 2.284 20 30 CEEDHN CCc1nccnc1NC(=O)C(C#N)Cc1cccs1 ZINC001177904402 816640686 /nfs/dbraw/zinc/64/06/86/816640686.db2.gz PENBANUFUCLCSJ-SNVBAGLBSA-N 0 3 286.360 2.421 20 30 CEEDHN C#C[C@@H](CCC)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000229971622 816668340 /nfs/dbraw/zinc/66/83/40/816668340.db2.gz TYZMGWGKJLMHIW-GXTWGEPZSA-N 0 3 262.309 2.020 20 30 CEEDHN Cn1nnc2cc(CNCc3ccc(CC#N)cc3)ccc21 ZINC001179028138 816828367 /nfs/dbraw/zinc/82/83/67/816828367.db2.gz LSIXTQBVUCSULU-UHFFFAOYSA-N 0 3 291.358 2.324 20 30 CEEDHN CC#CCNCCNC(=O)C1(c2ccccc2C)CCC1 ZINC001149260367 816845086 /nfs/dbraw/zinc/84/50/86/816845086.db2.gz VPJQRIPYWVGSNZ-UHFFFAOYSA-N 0 3 284.403 2.146 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000349077860 282095616 /nfs/dbraw/zinc/09/56/16/282095616.db2.gz QLQMAPGMHSBRLR-KRWDZBQOSA-N 0 3 287.407 2.101 20 30 CEEDHN CC(C#N)C(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000336251869 365535837 /nfs/dbraw/zinc/53/58/37/365535837.db2.gz FTQZHEDIWIFPAM-LBPRGKRZSA-N 0 3 286.379 2.085 20 30 CEEDHN CCN1CCC(Nc2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000124749436 187151493 /nfs/dbraw/zinc/15/14/93/187151493.db2.gz CDEQLVLTKNEMAF-UHFFFAOYSA-N 0 3 274.324 2.363 20 30 CEEDHN N#Cc1cccnc1N1CCN(C[C@H]2CC=CCC2)CC1 ZINC000122910215 365632646 /nfs/dbraw/zinc/63/26/46/365632646.db2.gz WRNNPLSNAIFYMO-HNNXBMFYSA-N 0 3 282.391 2.432 20 30 CEEDHN N#Cc1cccnc1N1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000122909510 365632999 /nfs/dbraw/zinc/63/29/99/365632999.db2.gz ITEADCZQZFLLTD-VYDXJSESSA-N 0 3 294.402 2.287 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000125174461 187172937 /nfs/dbraw/zinc/17/29/37/187172937.db2.gz SHXLKBONBXLZKZ-BBRMVZONSA-N 0 3 285.391 2.279 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccnn1CCc1ccccc1 ZINC000621344789 349569006 /nfs/dbraw/zinc/56/90/06/349569006.db2.gz SYOFRWKFEJNCDD-INIZCTEOSA-N 0 3 285.391 2.152 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCC2(CCCC2=O)CC1 ZINC000621321861 349559061 /nfs/dbraw/zinc/55/90/61/349559061.db2.gz AZBBPDACOQLMQH-ZDUSSCGKSA-N 0 3 278.396 2.122 20 30 CEEDHN CN(C(=O)Nc1cccc2c1CCNC2)[C@H]1CCC[C@H]1C#N ZINC000601566491 346851970 /nfs/dbraw/zinc/85/19/70/346851970.db2.gz NRZPSGJOIIDELU-LRDDRELGSA-N 0 3 298.390 2.488 20 30 CEEDHN COc1cc(CN(C)C)ccc1NC(=O)c1cc(C#N)c[nH]1 ZINC000601622788 346863974 /nfs/dbraw/zinc/86/39/74/346863974.db2.gz VHENSLZOCMISTH-UHFFFAOYSA-N 0 3 298.346 2.209 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(C)C1CCN(C)CC1 ZINC000337973666 214338860 /nfs/dbraw/zinc/33/88/60/214338860.db2.gz CRIZHBSEEIKAMI-UHFFFAOYSA-N 0 3 271.364 2.033 20 30 CEEDHN CC(C)C[C@@H](CO)NCc1ccc(C#N)cc1F ZINC000040778364 361998681 /nfs/dbraw/zinc/99/86/81/361998681.db2.gz KSDBTQZMSSZDMX-ZDUSSCGKSA-N 0 3 250.317 2.194 20 30 CEEDHN Cc1[nH]nc(NC(=O)C[C@H](c2ccccc2)N(C)C)c1C#N ZINC000601678883 346876957 /nfs/dbraw/zinc/87/69/57/346876957.db2.gz GYBWZEUDDXTFQH-CQSZACIVSA-N 0 3 297.362 2.221 20 30 CEEDHN CCn1nccc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000122690557 539167181 /nfs/dbraw/zinc/16/71/81/539167181.db2.gz FIUCZVVFBLWQKU-JTQLQIEISA-N 0 3 279.303 2.269 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC1CCN(CCOC)CC1 ZINC000329889764 539264408 /nfs/dbraw/zinc/26/44/08/539264408.db2.gz FBENXENERQKHKU-HUUCEWRRSA-N 0 3 296.411 2.035 20 30 CEEDHN C=CCN(CC=C)C(=O)CN([C@H](C)C1CC1)C1CC1 ZINC000042123160 362060667 /nfs/dbraw/zinc/06/06/67/362060667.db2.gz SSUTXLUKBTVJQZ-CYBMUJFWSA-N 0 3 262.397 2.450 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H](C)CCSC ZINC000126394957 365709932 /nfs/dbraw/zinc/70/99/32/365709932.db2.gz ZBXIWIPZBBIING-ZDUSSCGKSA-N 0 3 272.458 2.484 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000025507624 343386613 /nfs/dbraw/zinc/38/66/13/343386613.db2.gz UBCXBLKEHVEQQZ-HNNXBMFYSA-N 0 3 284.403 2.079 20 30 CEEDHN C=CCN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000048046319 362241106 /nfs/dbraw/zinc/24/11/06/362241106.db2.gz YDZDKVCHRZHOEW-CYBMUJFWSA-N 0 3 250.386 2.143 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@H]1CCc1ccccc1 ZINC000052106041 343556638 /nfs/dbraw/zinc/55/66/38/343556638.db2.gz YHBQCGRJAZXGIQ-INIZCTEOSA-N 0 3 272.392 2.386 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@H]1c1ccccc1C ZINC000052212741 343558300 /nfs/dbraw/zinc/55/83/00/343558300.db2.gz RHRVWOQSCBWHHQ-HNNXBMFYSA-N 0 3 258.365 2.434 20 30 CEEDHN C=C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000128418935 365787533 /nfs/dbraw/zinc/78/75/33/365787533.db2.gz UNNKELUSBMKBBC-HNNXBMFYSA-N 0 3 287.407 2.478 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1NCc1cccc(F)c1C#N ZINC000602012218 346958302 /nfs/dbraw/zinc/95/83/02/346958302.db2.gz KSMXFYFWPKTPJW-MEDUHNTESA-N 0 3 273.355 2.270 20 30 CEEDHN N#Cc1c(F)cccc1CNCCCn1cccn1 ZINC000602003237 346955217 /nfs/dbraw/zinc/95/52/17/346955217.db2.gz GMQUMIBJLAXAIU-UHFFFAOYSA-N 0 3 258.300 2.074 20 30 CEEDHN C=CCNC(=O)CN(CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000066885023 343723816 /nfs/dbraw/zinc/72/38/16/343723816.db2.gz SAQARRNURIPSDD-CQSZACIVSA-N 0 3 290.407 2.250 20 30 CEEDHN CC(C)C[C@H](C#N)NC(=O)CN(C)CC(C)(C)C ZINC000602089427 346971179 /nfs/dbraw/zinc/97/11/79/346971179.db2.gz GCJCDYJRDBDYEF-GFCCVEGCSA-N 0 3 253.390 2.019 20 30 CEEDHN C=CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000072489252 343803364 /nfs/dbraw/zinc/80/33/64/343803364.db2.gz AVHGWFQXHDJGAM-LBPRGKRZSA-N 0 3 279.409 2.370 20 30 CEEDHN C[C@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1C ZINC000076111678 343881653 /nfs/dbraw/zinc/88/16/53/343881653.db2.gz WHBCTVSJQWYZKK-KBPBESRZSA-N 0 3 277.412 2.259 20 30 CEEDHN COC[C@@H](C)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000075715158 343863673 /nfs/dbraw/zinc/86/36/73/343863673.db2.gz DFGSJWDOOUYXBR-CYBMUJFWSA-N 0 3 274.364 2.436 20 30 CEEDHN N#CCCCN1CCC(NC(=O)c2ccccc2)CC1 ZINC000048398422 362265492 /nfs/dbraw/zinc/26/54/92/362265492.db2.gz BKJKCLGTJWSTAS-UHFFFAOYSA-N 0 3 271.364 2.185 20 30 CEEDHN C=C(Cl)CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000077791592 343933138 /nfs/dbraw/zinc/93/31/38/343933138.db2.gz DXYMZAMMCSZSAE-CYBMUJFWSA-N 0 3 281.787 2.341 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)C#Cc1ccccc1 ZINC000081592248 344058923 /nfs/dbraw/zinc/05/89/23/344058923.db2.gz IWJLQPLSMCZLLM-INIZCTEOSA-N 0 3 272.392 2.131 20 30 CEEDHN CN(CCN1CCCC1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000081679905 344062148 /nfs/dbraw/zinc/06/21/48/344062148.db2.gz LPERSLYGOQBYKD-DLBZAZTESA-N 0 3 297.402 2.216 20 30 CEEDHN CCC(=O)N1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000089152206 344116320 /nfs/dbraw/zinc/11/63/20/344116320.db2.gz VVZWSNHOPGYTHM-UHFFFAOYSA-N 0 3 289.354 2.188 20 30 CEEDHN N#CC1(C(=O)Nc2cccc(CN)c2)CC2(CC2)C1 ZINC000602420815 347026893 /nfs/dbraw/zinc/02/68/93/347026893.db2.gz HVKLACJJFFJPFE-UHFFFAOYSA-N 0 3 255.321 2.168 20 30 CEEDHN C=CCCC[C@H](C)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000091515328 344166484 /nfs/dbraw/zinc/16/64/84/344166484.db2.gz MUEZXQFMIWXYQF-LSDHHAIUSA-N 0 3 293.455 2.016 20 30 CEEDHN CCCCN(C[C@H](C)CCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000602432609 347030610 /nfs/dbraw/zinc/03/06/10/347030610.db2.gz IQKCBVNHJCMIHI-KGLIPLIRSA-N 0 3 286.441 2.215 20 30 CEEDHN C[C@H](O)C[C@@H]1CCCN1Cc1cc(C#N)cs1 ZINC000093483201 344225302 /nfs/dbraw/zinc/22/53/02/344225302.db2.gz WQGHXENUGWUFLF-JQWIXIFHSA-N 0 3 250.367 2.355 20 30 CEEDHN C[C@H](O)C[C@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000123725534 344311217 /nfs/dbraw/zinc/31/12/17/344311217.db2.gz GGXHEZVUXQHMOD-SWLSCSKDSA-N 0 3 259.353 2.079 20 30 CEEDHN C[C@@H](O)C[C@@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000123725335 344311427 /nfs/dbraw/zinc/31/14/27/344311427.db2.gz GGXHEZVUXQHMOD-DOMZBBRYSA-N 0 3 259.353 2.079 20 30 CEEDHN N#Cc1cc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccn1 ZINC000124418472 344314176 /nfs/dbraw/zinc/31/41/76/344314176.db2.gz OZQLJZSXSZZJPU-XHSDSOJGSA-N 0 3 271.364 2.079 20 30 CEEDHN CCC(CC)CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000125014041 344318175 /nfs/dbraw/zinc/31/81/75/344318175.db2.gz RHYBHHLUTKEAND-UHFFFAOYSA-N 0 3 294.420 2.358 20 30 CEEDHN C[C@H](CCC#N)CN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000602475659 347050017 /nfs/dbraw/zinc/05/00/17/347050017.db2.gz QFGYLGMXAFLRDI-GMTAPVOTSA-N 0 3 264.291 2.314 20 30 CEEDHN COc1ccc(CCNCc2cccc(C#N)n2)cc1 ZINC000602505770 347060479 /nfs/dbraw/zinc/06/04/79/347060479.db2.gz ZDWLPMBJQFZLBQ-UHFFFAOYSA-N 0 3 267.332 2.294 20 30 CEEDHN CC1(C)CC[C@H]1NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000312845540 344740438 /nfs/dbraw/zinc/74/04/38/344740438.db2.gz WVDLSXWORXOKCZ-CQSZACIVSA-N 0 3 292.404 2.110 20 30 CEEDHN CCC(NC(=O)[C@H](N)CCCCC#N)(C1CC1)C1CC1 ZINC000602535994 347069373 /nfs/dbraw/zinc/06/93/73/347069373.db2.gz UYLSFQHHPMIMAD-CQSZACIVSA-N 0 3 277.412 2.483 20 30 CEEDHN CO[C@H](CNCc1ccc(C#N)cc1F)C1CCOCC1 ZINC000602539021 347070197 /nfs/dbraw/zinc/07/01/97/347070197.db2.gz PTXDIZXJFSJPAB-MRXNPFEDSA-N 0 3 292.354 2.229 20 30 CEEDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1cccc(C#N)c1 ZINC000317632739 344750120 /nfs/dbraw/zinc/75/01/20/344750120.db2.gz RHXJZUOKOVVZFH-JJRVBVJISA-N 0 3 299.374 2.029 20 30 CEEDHN Cc1cc(CC(=O)NC2CCN(C3CC3)CC2)no1 ZINC000329533399 344758692 /nfs/dbraw/zinc/75/86/92/344758692.db2.gz XYWZJVGBJBKEKV-UHFFFAOYSA-N 0 3 263.341 2.109 20 30 CEEDHN C=C[C@@H](CC(=O)NCCNc1ccncc1)c1ccccc1 ZINC000340513040 344769170 /nfs/dbraw/zinc/76/91/70/344769170.db2.gz RNXFLNFVPMTPJH-HNNXBMFYSA-N 0 3 295.386 2.392 20 30 CEEDHN N#Cc1cccc(CNC[C@@H](CCO)c2ccccc2)n1 ZINC000602550383 347073297 /nfs/dbraw/zinc/07/32/97/347073297.db2.gz BVUZTGOFMYHCQH-OAHLLOKOSA-N 0 3 281.359 2.209 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000602542766 347070859 /nfs/dbraw/zinc/07/08/59/347070859.db2.gz XBUGGPSMINUFRG-DZGCQCFKSA-N 0 3 286.379 2.060 20 30 CEEDHN CC[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)C1CC1 ZINC000324206371 344754123 /nfs/dbraw/zinc/75/41/23/344754123.db2.gz UHLGCSIEJCZATJ-OAHLLOKOSA-N 0 3 292.404 2.110 20 30 CEEDHN N#Cc1cccc(CNCCc2ccc3c(c2)CCO3)n1 ZINC000602546943 347071614 /nfs/dbraw/zinc/07/16/14/347071614.db2.gz NIEMOWAKACXTSK-UHFFFAOYSA-N 0 3 279.343 2.220 20 30 CEEDHN COc1cc(CNCCOc2ccc(C#N)cc2)sn1 ZINC000602557998 347075836 /nfs/dbraw/zinc/07/58/36/347075836.db2.gz NEQBBHTZXJVURD-UHFFFAOYSA-N 0 3 289.360 2.192 20 30 CEEDHN C=C(Br)CN1C[C@H]2CCC[C@]2(C(=O)OC)C1 ZINC000364691293 344811800 /nfs/dbraw/zinc/81/18/00/344811800.db2.gz RWRCLJQHJMWPPZ-PWSUYJOCSA-N 0 3 288.185 2.170 20 30 CEEDHN COC1CCC(CNCc2cccc(C#N)n2)CC1 ZINC000602573879 347084200 /nfs/dbraw/zinc/08/42/00/347084200.db2.gz WMNBPISVRGEERG-UHFFFAOYSA-N 0 3 259.353 2.248 20 30 CEEDHN C#C[C@@H](NC(=O)C[C@H](c1ccccc1)N(C)C)C(C)C ZINC000491339818 344911138 /nfs/dbraw/zinc/91/11/38/344911138.db2.gz SRZNXMFXIKRNAJ-HZPDHXFCSA-N 0 3 272.392 2.453 20 30 CEEDHN CCN(C)C(=O)[C@@H](NCCC(C)(C)C#N)C(C)C ZINC000451311397 344903354 /nfs/dbraw/zinc/90/33/54/344903354.db2.gz IQACIUCNBXEJAK-LBPRGKRZSA-N 0 3 253.390 2.019 20 30 CEEDHN CN1CCC[C@@H](CNc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000584287865 344956641 /nfs/dbraw/zinc/95/66/41/344956641.db2.gz SBEXVOYLABYPQX-NSHDSACASA-N 0 3 274.324 2.220 20 30 CEEDHN C[C@@H]1C[C@H](C)CN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000584604455 344963628 /nfs/dbraw/zinc/96/36/28/344963628.db2.gz UYQFGXSVYCNVIE-TXEJJXNPSA-N 0 3 269.352 2.079 20 30 CEEDHN C[C@H](C#N)CNC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000054180814 362517208 /nfs/dbraw/zinc/51/72/08/362517208.db2.gz CDCQWNPXFVRVFO-LLVKDONJSA-N 0 3 267.373 2.135 20 30 CEEDHN Cc1cc(C#N)nc(N2CCN(CCC(C)(C)C)CC2)n1 ZINC000587404744 345030638 /nfs/dbraw/zinc/03/06/38/345030638.db2.gz GDVIXSBLULISAK-UHFFFAOYSA-N 0 3 287.411 2.215 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](C2CC2)C1 ZINC000588978276 345063474 /nfs/dbraw/zinc/06/34/74/345063474.db2.gz UVSQULNPGMNNKX-GXTWGEPZSA-N 0 3 275.396 2.059 20 30 CEEDHN CN1CCC(CC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000589850295 345102278 /nfs/dbraw/zinc/10/22/78/345102278.db2.gz QPWUIFCOYWCVAZ-QGZVFWFLSA-N 0 3 297.402 2.394 20 30 CEEDHN C[C@@]12CCN(Cc3ccnc(C#N)c3)C[C@@H]1C2(F)F ZINC000589997983 345109479 /nfs/dbraw/zinc/10/94/79/345109479.db2.gz FMCHXQAASJXWKX-QWHCGFSZSA-N 0 3 263.291 2.430 20 30 CEEDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1ccnc(C#N)c1 ZINC000590747958 345172728 /nfs/dbraw/zinc/17/27/28/345172728.db2.gz XRGDRGIAUPHBIE-CABCVRRESA-N 0 3 287.363 2.165 20 30 CEEDHN N#Cc1cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccn1 ZINC000590756574 345174887 /nfs/dbraw/zinc/17/48/87/345174887.db2.gz ISUAPOAIKHTNGO-RBSFLKMASA-N 0 3 269.348 2.000 20 30 CEEDHN C[C@@H](CCC#N)CN1CCCN(CC(F)(F)F)CC1 ZINC000590593668 345148895 /nfs/dbraw/zinc/14/88/95/345148895.db2.gz WGVXTWMPNXAIBA-LBPRGKRZSA-N 0 3 277.334 2.496 20 30 CEEDHN Cc1cccc(CNC2CCN(CC#N)CC2)c1F ZINC000590645808 345154622 /nfs/dbraw/zinc/15/46/22/345154622.db2.gz RLZKDZLZFGKCSN-UHFFFAOYSA-N 0 3 261.344 2.212 20 30 CEEDHN N#Cc1cccc(N[C@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000590689595 345160703 /nfs/dbraw/zinc/16/07/03/345160703.db2.gz ANOWLTJKNVRIFZ-ZDUSSCGKSA-N 0 3 286.335 2.363 20 30 CEEDHN C[C@@]1(C#N)CCCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000591310330 345239434 /nfs/dbraw/zinc/23/94/34/345239434.db2.gz LPWGCBXIOHEMNL-KRWDZBQOSA-N 0 3 298.390 2.490 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]2COC[C@@H]21 ZINC000590921793 345199842 /nfs/dbraw/zinc/19/98/42/345199842.db2.gz PRURTQOQZRGIEN-BBWFWOEESA-N 0 3 298.386 2.396 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](C2CCC2)C1 ZINC000591062089 345215203 /nfs/dbraw/zinc/21/52/03/345215203.db2.gz VBGVWCDFHPHRPJ-ZFWWWQNUSA-N 0 3 277.412 2.117 20 30 CEEDHN C=CCN1CCC(NC(=O)CCC(C)(F)F)CC1 ZINC000592069152 345318295 /nfs/dbraw/zinc/31/82/95/345318295.db2.gz LWZRAGPIVLKVFR-UHFFFAOYSA-N 0 3 260.328 2.188 20 30 CEEDHN N#Cc1cnccc1CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000592084918 345320596 /nfs/dbraw/zinc/32/05/96/345320596.db2.gz WRTLZEQFAPPPQN-CRAIPNDOSA-N 0 3 296.418 2.402 20 30 CEEDHN N#Cc1cncc(N2CCN(CC3CCCCC3)CC2)n1 ZINC000591458922 345258476 /nfs/dbraw/zinc/25/84/76/345258476.db2.gz JEGIEKNNAFLKKH-UHFFFAOYSA-N 0 3 285.395 2.051 20 30 CEEDHN CC(C)COC[C@H](O)CN[C@H]1CCc2cc(C#N)ccc21 ZINC000591763970 345278166 /nfs/dbraw/zinc/27/81/66/345278166.db2.gz UJXXGOWUCARPNU-WBVHZDCISA-N 0 3 288.391 2.169 20 30 CEEDHN CC[C@H](C)C[C@@H](CO)NCc1cnc2ccc(C#N)cn12 ZINC000592374359 345346981 /nfs/dbraw/zinc/34/69/81/345346981.db2.gz BXJDYTHDTCOLBZ-JSGCOSHPSA-N 0 3 286.379 2.093 20 30 CEEDHN N#CC[C@@]1(O)CCN(CCCOc2cccc(Cl)c2)C1 ZINC000592149982 345329897 /nfs/dbraw/zinc/32/98/97/345329897.db2.gz AUUHFVPHQGYPSG-OAHLLOKOSA-N 0 3 294.782 2.459 20 30 CEEDHN CCc1ccccc1CCN1CC[C@](O)(CC#N)C1 ZINC000592153164 345331821 /nfs/dbraw/zinc/33/18/21/345331821.db2.gz JYLBVCAKUPEDCK-MRXNPFEDSA-N 0 3 258.365 2.142 20 30 CEEDHN N#Cc1cccc2c1CN(CCN1CCCCC1)C2 ZINC000593120458 345443972 /nfs/dbraw/zinc/44/39/72/345443972.db2.gz PYJUYYQFMWKSHT-UHFFFAOYSA-N 0 3 255.365 2.360 20 30 CEEDHN CCC(C#N)C(=O)N[C@@](CC)(C(=O)OC)c1ccccc1 ZINC000593455212 345490085 /nfs/dbraw/zinc/49/00/85/345490085.db2.gz APRJIXFDLJBYCD-BLLLJJGKSA-N 0 3 288.347 2.131 20 30 CEEDHN Cc1ccc(C#N)c(N(C)CCN2CCCCC2)n1 ZINC000593516478 345502002 /nfs/dbraw/zinc/50/20/02/345502002.db2.gz OKCXDULHXNDPIN-UHFFFAOYSA-N 0 3 258.369 2.184 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000593554639 345506536 /nfs/dbraw/zinc/50/65/36/345506536.db2.gz CVYCCYICAHNWNC-TUAOUCFPSA-N 0 3 282.384 2.409 20 30 CEEDHN CC1CCN(CCNC(=O)NCC2(C#N)CCCC2)CC1 ZINC000593304307 345464220 /nfs/dbraw/zinc/46/42/20/345464220.db2.gz BDLKAJJGPXQCIJ-UHFFFAOYSA-N 0 3 292.427 2.101 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593352203 345469380 /nfs/dbraw/zinc/46/93/80/345469380.db2.gz DHMZXRNKEVSNSZ-HNNXBMFYSA-N 0 3 298.390 2.068 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)NCC1(C#N)CCCC1 ZINC000593373608 345472896 /nfs/dbraw/zinc/47/28/96/345472896.db2.gz GVQSBJLTCDRGFF-CQSZACIVSA-N 0 3 292.427 2.244 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCC1(C#N)CCCC1 ZINC000593427000 345483720 /nfs/dbraw/zinc/48/37/20/345483720.db2.gz LSVLFCYASJKEQZ-AWEZNQCLSA-N 0 3 292.427 2.054 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCC1(C#N)CCCC1 ZINC000593429324 345484206 /nfs/dbraw/zinc/48/42/06/345484206.db2.gz DPDHGWQASHTQRY-ZIAGYGMSSA-N 0 3 292.427 2.052 20 30 CEEDHN Cn1c(=O)ccc2c1CCC[C@H]2NCc1cccc(C#N)c1 ZINC000593694803 345523091 /nfs/dbraw/zinc/52/30/91/345523091.db2.gz TWZSIHNUDPCEKY-MRXNPFEDSA-N 0 3 293.370 2.424 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000593729815 345528579 /nfs/dbraw/zinc/52/85/79/345528579.db2.gz BBKJLUKLDAELPF-KGLIPLIRSA-N 0 3 265.401 2.163 20 30 CEEDHN CCC(C#N)C(=O)N1[C@@H](C)CC[C@H]1C(=O)OC(C)(C)C ZINC000593766960 345534537 /nfs/dbraw/zinc/53/45/37/345534537.db2.gz HJYFTCYTFWQRRC-SRVKXCTJSA-N 0 3 280.368 2.257 20 30 CEEDHN CC(C#N)C(=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593786236 345538063 /nfs/dbraw/zinc/53/80/63/345538063.db2.gz JSSBTUYHBGFXMD-SSDOTTSWSA-N 0 3 264.222 2.039 20 30 CEEDHN CCC(C#N)C(=O)N(CC(=O)OC(C)(C)C)CC1CC1 ZINC000593823325 345543734 /nfs/dbraw/zinc/54/37/34/345543734.db2.gz RUXMBBKGVKBERQ-GFCCVEGCSA-N 0 3 280.368 2.116 20 30 CEEDHN CC(C)(C#N)CCN1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000593992913 345561654 /nfs/dbraw/zinc/56/16/54/345561654.db2.gz GQNBPGHNCNNDHE-ZDUSSCGKSA-N 0 3 277.412 2.163 20 30 CEEDHN CC(C)(C#N)CC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594194970 345596411 /nfs/dbraw/zinc/59/64/11/345596411.db2.gz BSZVGNKVQZQCBE-QWHCGFSZSA-N 0 3 263.385 2.059 20 30 CEEDHN N#CCc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000594194973 345596521 /nfs/dbraw/zinc/59/65/21/345596521.db2.gz BTAOTPLBVFAYJF-IAGOWNOFSA-N 0 3 297.402 2.499 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594197796 345597061 /nfs/dbraw/zinc/59/70/61/345597061.db2.gz PVAWAEFUGFRJKU-CABCVRRESA-N 0 3 287.363 2.206 20 30 CEEDHN CCC[C@H](C#N)NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000594259934 345606197 /nfs/dbraw/zinc/60/61/97/345606197.db2.gz OGTKDZIXEJMHCV-JKSUJKDBSA-N 0 3 285.391 2.317 20 30 CEEDHN CCC(C)(C)N1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000594259293 345606424 /nfs/dbraw/zinc/60/64/24/345606424.db2.gz UEIULWYPWFRFLL-UHFFFAOYSA-N 0 3 294.443 2.442 20 30 CEEDHN CC(C)NC(=O)CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594494539 345637589 /nfs/dbraw/zinc/63/75/89/345637589.db2.gz HPLOLCPOIPAWHB-UHFFFAOYSA-N 0 3 287.407 2.492 20 30 CEEDHN N#CCCCCC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000594346516 345614690 /nfs/dbraw/zinc/61/46/90/345614690.db2.gz GQWQAWIFGLBSOY-AWEZNQCLSA-N 0 3 263.385 2.203 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](CC(=O)OC(C)C)C(C)C ZINC000594401513 345621525 /nfs/dbraw/zinc/62/15/25/345621525.db2.gz DTWGFXSKUJXHNN-NEPJUHHUSA-N 0 3 268.357 2.019 20 30 CEEDHN CN1CCC(C(=O)NC2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000594404432 345621900 /nfs/dbraw/zinc/62/19/00/345621900.db2.gz WVOOUSRULRNOCR-UHFFFAOYSA-N 0 3 297.402 2.395 20 30 CEEDHN C[C@H]1CCN(CC(=O)NC2(c3ccc(C#N)cc3)CCC2)C1 ZINC000594404385 345622053 /nfs/dbraw/zinc/62/20/53/345622053.db2.gz VLYXWNVVKCRODE-AWEZNQCLSA-N 0 3 297.402 2.395 20 30 CEEDHN CC(C#N)C(=O)N[C@H](Cc1ccccc1)c1ncco1 ZINC000594414654 345623826 /nfs/dbraw/zinc/62/38/26/345623826.db2.gz KIDVNKMVGZKDNC-DGCLKSJQSA-N 0 3 269.304 2.234 20 30 CEEDHN CC(C)CC[C@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000594424610 345625814 /nfs/dbraw/zinc/62/58/14/345625814.db2.gz HCESQWQCVDGLSG-STQMWFEESA-N 0 3 253.390 2.339 20 30 CEEDHN CC1CCC(N(C)C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594425151 345625882 /nfs/dbraw/zinc/62/58/82/345625882.db2.gz GBHIDEDUGFUZCF-JXQTWKCFSA-N 0 3 265.401 2.435 20 30 CEEDHN CCc1ccc(CNC(=O)[C@H](N)CCCCC#N)s1 ZINC000594429373 345627929 /nfs/dbraw/zinc/62/79/29/345627929.db2.gz TUSLIMUIAOIDSS-CYBMUJFWSA-N 0 3 279.409 2.338 20 30 CEEDHN Cc1ccc(CN(C)C(=O)[C@@H](N)CCCCC#N)s1 ZINC000594435676 345630095 /nfs/dbraw/zinc/63/00/95/345630095.db2.gz FSCCIDCBROPORR-ZDUSSCGKSA-N 0 3 279.409 2.426 20 30 CEEDHN Cc1cc2c[nH]nc2cc1NC(=O)[C@H](N)CCCCC#N ZINC000594440157 345631260 /nfs/dbraw/zinc/63/12/60/345631260.db2.gz VDODQUQEXGXMDG-GFCCVEGCSA-N 0 3 285.351 2.221 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCc1nc(C2CC2)cs1 ZINC000594439804 345631279 /nfs/dbraw/zinc/63/12/79/345631279.db2.gz 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346256046 /nfs/dbraw/zinc/25/60/46/346256046.db2.gz UIXBZGIIBPPNQP-IAGOWNOFSA-N 0 3 299.418 2.312 20 30 CEEDHN CCN(C(=O)c1cc(C#N)oc1C)[C@H]1CCN(CC)C1 ZINC000598038605 346273512 /nfs/dbraw/zinc/27/35/12/346273512.db2.gz FBZLUIMBUXXEKT-LBPRGKRZSA-N 0 3 275.352 2.016 20 30 CEEDHN C=CCNc1ncc(C(=O)NCCN(C)CCCC)s1 ZINC000128896128 365809367 /nfs/dbraw/zinc/80/93/67/365809367.db2.gz YHCJXYNHBGCJQY-UHFFFAOYSA-N 0 3 296.440 2.203 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)COc1c(F)cccc1F ZINC000598153426 346300646 /nfs/dbraw/zinc/30/06/46/346300646.db2.gz KKNIUGKWYZZPRG-DTWKUNHWSA-N 0 3 268.263 2.008 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC000598342222 346332000 /nfs/dbraw/zinc/33/20/00/346332000.db2.gz KSSXTCQVEONCGZ-WMLDXEAASA-N 0 3 299.418 2.337 20 30 CEEDHN COc1cccc(C2(NC(=O)C(C)C#N)CCC2)c1 ZINC000598424374 346355474 /nfs/dbraw/zinc/35/54/74/346355474.db2.gz AXFRWTLLTZTJAN-NSHDSACASA-N 0 3 258.321 2.350 20 30 CEEDHN CC(C)[C@H](O)[C@@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000598354598 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C[C@H](CCC#N)CN[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000602616007 347104937 /nfs/dbraw/zinc/10/49/37/347104937.db2.gz GTZPDSXNMIOMNX-UKRRQHHQSA-N 0 3 294.420 2.302 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@@](C)(O)C2)cc1 ZINC000129513733 365865725 /nfs/dbraw/zinc/86/57/25/365865725.db2.gz XRMNRNHNYIBJCT-MRXNPFEDSA-N 0 3 259.349 2.045 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2CC#N)CCN1C ZINC000601225270 346795123 /nfs/dbraw/zinc/79/51/23/346795123.db2.gz LVBMJDGVZGKGHZ-HIFRSBDPSA-N 0 3 285.391 2.307 20 30 CEEDHN Cc1cccc(CN2CC[C@@H](Nc3cnc(C#N)cn3)C2)c1 ZINC000601239042 346799826 /nfs/dbraw/zinc/79/98/26/346799826.db2.gz GHOUYNQXHHVCKV-OAHLLOKOSA-N 0 3 293.374 2.343 20 30 CEEDHN C[C@H](CCC#N)CN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000602643284 347119691 /nfs/dbraw/zinc/11/96/91/347119691.db2.gz DAKZAYRQYHZFKQ-UKRRQHHQSA-N 0 3 266.385 2.196 20 30 CEEDHN N#Cc1cccc(CNC[C@@H]2CCCC2(F)F)n1 ZINC000602683502 347143431 /nfs/dbraw/zinc/14/34/31/347143431.db2.gz CEDCEFSSPRNOHX-JTQLQIEISA-N 0 3 251.280 2.478 20 30 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CC(C#N)C(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000335769903 364956589 /nfs/dbraw/zinc/95/65/89/364956589.db2.gz GPYJBDLUDVXBNQ-MRVPVSSYSA-N 0 3 250.248 2.009 20 30 CEEDHN N#Cc1ccc(C(=O)N2CCC[C@@H](N3CCCCC3)C2)cn1 ZINC000115375313 365003711 /nfs/dbraw/zinc/00/37/11/365003711.db2.gz FUMWVQRMFWDYDN-MRXNPFEDSA-N 0 3 298.390 2.044 20 30 CEEDHN C=CCC1(C(=O)N2CCN(C)CC[C@@H]2C)CCC1 ZINC000335887945 365118295 /nfs/dbraw/zinc/11/82/95/365118295.db2.gz KMPXVNKNCWGMFK-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN CN(CC#Cc1cccc(Cl)c1)CC(C)(C)O ZINC000119413427 365270103 /nfs/dbraw/zinc/27/01/03/365270103.db2.gz NVYONMQIQUTAQO-UHFFFAOYSA-N 0 3 251.757 2.394 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC1)C(C)C ZINC000119711075 365314788 /nfs/dbraw/zinc/31/47/88/365314788.db2.gz ACLNWPQHCGOHJB-CQSZACIVSA-N 0 3 265.401 2.100 20 30 CEEDHN CN(Cc1ccc(C#N)c(F)c1)[C@H]1CC[C@H](O)CC1 ZINC000336086131 365388256 /nfs/dbraw/zinc/38/82/56/365388256.db2.gz GLTIFJUZIFZYHT-HDJSIYSDSA-N 0 3 262.328 2.433 20 30 CEEDHN N#CC(C(=O)NC[C@@H]1CCCO1)c1nccc2ccccc21 ZINC000582394040 366904545 /nfs/dbraw/zinc/90/45/45/366904545.db2.gz FQELBIOIYFICNA-ZFWWWQNUSA-N 0 3 295.342 2.137 20 30 CEEDHN CC[C@@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000340693060 366991392 /nfs/dbraw/zinc/99/13/92/366991392.db2.gz XINQNDNWVRVOSW-OAHLLOKOSA-N 0 3 271.364 2.049 20 30 CEEDHN C=CCCC[C@@H](C)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000340883136 367072536 /nfs/dbraw/zinc/07/25/36/367072536.db2.gz NVVSWMOLDDVKKL-KGLIPLIRSA-N 0 3 288.457 2.133 20 30 CEEDHN CC(C)N(Cc1cccc(C#N)c1F)C[C@H](C)O ZINC000340919358 367088771 /nfs/dbraw/zinc/08/87/71/367088771.db2.gz UCVLCHDRQFRLSA-NSHDSACASA-N 0 3 250.317 2.289 20 30 CEEDHN CC(C#N)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000357895118 370833413 /nfs/dbraw/zinc/83/34/13/370833413.db2.gz QZUMUUDBINWBLP-SNVBAGLBSA-N 0 3 287.294 2.299 20 30 CEEDHN CCN1CCC(NC(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000596673351 367208623 /nfs/dbraw/zinc/20/86/23/367208623.db2.gz HGJJRGKLEFBEDC-UHFFFAOYSA-N 0 3 293.317 2.051 20 30 CEEDHN 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C=CCCN(C)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000342766673 367521717 /nfs/dbraw/zinc/52/17/17/367521717.db2.gz UXYTXDKBXZJHJN-AWEZNQCLSA-N 0 3 260.381 2.242 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@H](n3cncn3)C2)cc1 ZINC000681628140 541573026 /nfs/dbraw/zinc/57/30/26/541573026.db2.gz AVLSYGARLZCEDK-HNNXBMFYSA-N 0 3 284.363 2.290 20 30 CEEDHN C=CCN1CCC(/N=C/c2cc(OC)ccc2O)CC1 ZINC000171647783 367583694 /nfs/dbraw/zinc/58/36/94/367583694.db2.gz HIHIDLWWESGVNN-SFQUDFHCSA-N 0 3 274.364 2.470 20 30 CEEDHN C#CCCOc1ccc(CNCCC(=O)NC(C)C)cc1 ZINC000172113454 367675556 /nfs/dbraw/zinc/67/55/56/367675556.db2.gz KAZIETAEFSPNHT-UHFFFAOYSA-N 0 3 288.391 2.093 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H](CCCC)COC)CC1 ZINC000172351934 367725028 /nfs/dbraw/zinc/72/50/28/367725028.db2.gz ZIDZNQYYLMUDRQ-OAHLLOKOSA-N 0 3 297.443 2.141 20 30 CEEDHN CCn1ccnc1[C@@H]1OCC[C@@H]1NCc1ccc(C#N)cc1 ZINC000343395203 367789009 /nfs/dbraw/zinc/78/90/09/367789009.db2.gz GXQYZDKWBHKGPY-JKSUJKDBSA-N 0 3 296.374 2.394 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CCN(C)CC[C@@H]1C ZINC000343612850 367916801 /nfs/dbraw/zinc/91/68/01/367916801.db2.gz HYSDVTVELSNNAP-ZDUSSCGKSA-N 0 3 250.386 2.307 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](NCCN1CCSCC1)CC2 ZINC000353274854 220003373 /nfs/dbraw/zinc/00/33/73/220003373.db2.gz PXCABHCPXNNZNU-INIZCTEOSA-N 0 3 287.432 2.184 20 30 CEEDHN C=CCC(CC=C)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000343686773 367953399 /nfs/dbraw/zinc/95/33/99/367953399.db2.gz VIVAJMABZFHQKX-MRXNPFEDSA-N 0 3 294.439 2.324 20 30 CEEDHN C#CCN(CC#C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174527087 368034465 /nfs/dbraw/zinc/03/44/65/368034465.db2.gz UCSIYHWVCVKCGF-UHFFFAOYSA-N 0 3 290.407 2.202 20 30 CEEDHN CC#CCCCC(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000343854329 368041535 /nfs/dbraw/zinc/04/15/35/368041535.db2.gz JCINWCGRRNLWRY-HZPDHXFCSA-N 0 3 294.439 2.186 20 30 CEEDHN CC[C@H](CCO)CNC(=O)C(C#N)CCc1ccccc1 ZINC000343807186 368015156 /nfs/dbraw/zinc/01/51/56/368015156.db2.gz KTYUAUONZXAVJQ-GDBMZVCRSA-N 0 3 288.391 2.284 20 30 CEEDHN COc1cc(CCNCc2ccc(C#N)o2)ccc1O ZINC000174396766 368017956 /nfs/dbraw/zinc/01/79/56/368017956.db2.gz FZACTKJCPKRXOK-UHFFFAOYSA-N 0 3 272.304 2.198 20 30 CEEDHN C#CCN(C[C@@H](O)COCC)[C@@H]1CCc2ccccc21 ZINC000175120988 368102555 /nfs/dbraw/zinc/10/25/55/368102555.db2.gz JKJJBIYSZQHDIS-NVXWUHKLSA-N 0 3 273.376 2.007 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C[C@H]1CC=CCC1 ZINC000344032485 368103003 /nfs/dbraw/zinc/10/30/03/368103003.db2.gz DOMCWJPNKGSIKO-CABCVRRESA-N 0 3 277.412 2.283 20 30 CEEDHN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(C)C#N ZINC000344050327 368103630 /nfs/dbraw/zinc/10/36/30/368103630.db2.gz PYCLCPIDEWHYBJ-NSHDSACASA-N 0 3 298.346 2.232 20 30 CEEDHN C#CCSCCN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000181099942 368421352 /nfs/dbraw/zinc/42/13/52/368421352.db2.gz YQCJAJVIJBBXAL-SGTLLEGYSA-N 0 3 281.446 2.441 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2cccc(C#N)c2)C[C@@H]1C ZINC000346176004 368577753 /nfs/dbraw/zinc/57/77/53/368577753.db2.gz VSPDLQAIOACAGN-UONOGXRCSA-N 0 3 257.381 2.473 20 30 CEEDHN 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C=C(C)COCCNC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000354457039 370373135 /nfs/dbraw/zinc/37/31/35/370373135.db2.gz DQJCVLCWDNONES-HUUCEWRRSA-N 0 3 297.443 2.141 20 30 CEEDHN CCC[C@](C)(O)CNCc1ccc(C#N)cc1F ZINC000227597302 370374829 /nfs/dbraw/zinc/37/48/29/370374829.db2.gz JZISASFFTKQFNN-AWEZNQCLSA-N 0 3 250.317 2.338 20 30 CEEDHN CCCN1CCC[C@@H]1CNC(=O)c1cscc1C#N ZINC000354382763 370341772 /nfs/dbraw/zinc/34/17/72/370341772.db2.gz JVKSYEXWUQTKME-GFCCVEGCSA-N 0 3 277.393 2.224 20 30 CEEDHN C[C@H]1[C@H](NC(=O)c2cc(C#N)ccc2Cl)CCCN1C ZINC000354613202 370434355 /nfs/dbraw/zinc/43/43/55/370434355.db2.gz BQYFAHFUBXEODU-IINYFYTJSA-N 0 3 291.782 2.424 20 30 CEEDHN C[C@@]1(O)CCCN(CCOc2cccc(C#N)c2)CC1 ZINC000230352397 370454687 /nfs/dbraw/zinc/45/46/87/370454687.db2.gz IBBXORVDKXFXPM-MRXNPFEDSA-N 0 3 274.364 2.174 20 30 CEEDHN CC#CCCNC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000355189372 370541723 /nfs/dbraw/zinc/54/17/23/370541723.db2.gz UWGKWGVLDPILRK-KGLIPLIRSA-N 0 3 291.395 2.421 20 30 CEEDHN 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C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(C)s1 ZINC000272832638 373674874 /nfs/dbraw/zinc/67/48/74/373674874.db2.gz IGYJHMOXKBHZJJ-NSHDSACASA-N 0 3 273.423 2.308 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H](C)CCc1cccc(F)c1 ZINC000272873981 373689768 /nfs/dbraw/zinc/68/97/68/373689768.db2.gz PEXVCFCIWIOFKU-ZDUSSCGKSA-N 0 3 299.411 2.337 20 30 CEEDHN C#CCN(CCCCN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000274161875 373830229 /nfs/dbraw/zinc/83/02/29/373830229.db2.gz MIIHTHUCDMZPIJ-UHFFFAOYSA-N 0 3 296.370 2.160 20 30 CEEDHN CC(C)N(CCN(C)C)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000274325360 373880853 /nfs/dbraw/zinc/88/08/53/373880853.db2.gz DRQBHUGEQOQJLE-UHFFFAOYSA-N 0 3 276.340 2.243 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)/C=C/c3cccc(C#N)c3)C[C@@H]21 ZINC000371488885 373900114 /nfs/dbraw/zinc/90/01/14/373900114.db2.gz MENBREOGRUAMMQ-CSLAMCDYSA-N 0 3 295.386 2.124 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3cccc(C#N)c3)C[C@H]21 ZINC000371488888 373900373 /nfs/dbraw/zinc/90/03/73/373900373.db2.gz MENBREOGRUAMMQ-SDKBWNRFSA-N 0 3 295.386 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/nfs/dbraw/zinc/27/30/16/375273016.db2.gz NZQFORZNYDZFEP-BDJLRTHQSA-N 0 3 291.347 2.192 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2ccnc(C#N)c2)CN1Cc1ccccc1 ZINC000398118875 375346837 /nfs/dbraw/zinc/34/68/37/375346837.db2.gz GOOONNMPFRHCMQ-RDTXWAMCSA-N 0 3 292.386 2.450 20 30 CEEDHN C=CCN1CC[C@@H](N2CCCc3ccccc3C2)C1=O ZINC000281138784 375358483 /nfs/dbraw/zinc/35/84/83/375358483.db2.gz ALOWOCFPUBPMHG-MRXNPFEDSA-N 0 3 270.376 2.222 20 30 CEEDHN N#CC1CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000407958597 375384941 /nfs/dbraw/zinc/38/49/41/375384941.db2.gz RBHVQSGBSMEMRZ-UHFFFAOYSA-N 0 3 261.369 2.323 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CCC[C@@H]1C#N)N1CCCCCC1 ZINC000408335046 375456211 /nfs/dbraw/zinc/45/62/11/375456211.db2.gz SCXHFNGVMJAJEJ-MGPQQGTHSA-N 0 3 263.385 2.059 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc(OC)c(C#N)c1 ZINC000283121074 375659007 /nfs/dbraw/zinc/65/90/07/375659007.db2.gz MWFVZQNEHDIEJN-RYUDHWBXSA-N 0 3 290.363 2.244 20 30 CEEDHN CC(C)[C@@H](O)CN1CCCN(c2ccccc2C#N)CC1 ZINC000283633414 375736527 /nfs/dbraw/zinc/73/65/27/375736527.db2.gz AFWCXKAUZVQOFQ-KRWDZBQOSA-N 0 3 287.407 2.087 20 30 CEEDHN N#Cc1nccn1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000283884803 375776171 /nfs/dbraw/zinc/77/61/71/375776171.db2.gz IKNWCJJYDQNBNU-INIZCTEOSA-N 0 3 296.374 2.046 20 30 CEEDHN CN1CCC[C@@]2(CCN(c3ncc(C#N)cc3F)C2)C1 ZINC000413304387 375777231 /nfs/dbraw/zinc/77/72/31/375777231.db2.gz XQBKQHQEOPYJTM-OAHLLOKOSA-N 0 3 274.343 2.014 20 30 CEEDHN C[C@H](N[C@@H](CO)C[C@H](O)C(C)(C)C)c1cccc(C#N)c1 ZINC000284125788 375813911 /nfs/dbraw/zinc/81/39/11/375813911.db2.gz CQXBCOPFOXUFFA-MAZHCROVSA-N 0 3 290.407 2.367 20 30 CEEDHN CCN1CCN(Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC000286518014 375979257 /nfs/dbraw/zinc/97/92/57/375979257.db2.gz NBKIRGLWBCTBLN-GFCCVEGCSA-N 0 3 261.344 2.223 20 30 CEEDHN CCN1CCN(Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000286673174 376033651 /nfs/dbraw/zinc/03/36/51/376033651.db2.gz VFAXJCUPJNTDGA-LBPRGKRZSA-N 0 3 261.344 2.223 20 30 CEEDHN C=CCC(C)(C)CN[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000419188320 376391441 /nfs/dbraw/zinc/39/14/41/376391441.db2.gz SJHMAVNAEZBYKB-CQSZACIVSA-N 0 3 278.371 2.414 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCCCOC ZINC000419384355 376449964 /nfs/dbraw/zinc/44/99/64/376449964.db2.gz MAQIDDNDLGRQMS-CQSZACIVSA-N 0 3 270.417 2.158 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000289708108 376455679 /nfs/dbraw/zinc/45/56/79/376455679.db2.gz IZKZOJPJAYEYAF-UHFFFAOYSA-N 0 3 290.342 2.255 20 30 CEEDHN N#Cc1cc(NC[C@@H](c2cccs2)N2CCCC2)ncn1 ZINC000558520716 376616738 /nfs/dbraw/zinc/61/67/38/376616738.db2.gz XLGILSUSJRRHFM-ZDUSSCGKSA-N 0 3 299.403 2.081 20 30 CEEDHN C=CCN1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000264435708 190109529 /nfs/dbraw/zinc/10/95/29/190109529.db2.gz LHARNMSKSCRPOW-UHFFFAOYSA-N 0 3 262.313 2.052 20 30 CEEDHN C=C1CCN(C[C@H](O)COc2cccc(C)c2)CC1 ZINC000264537761 190116981 /nfs/dbraw/zinc/11/69/81/190116981.db2.gz LZBRNBSTZOTETO-HNNXBMFYSA-N 0 3 261.365 2.387 20 30 CEEDHN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1CCOCCC#N ZINC000420922807 376737720 /nfs/dbraw/zinc/73/77/20/376737720.db2.gz GGSOVVDQBNRLAN-KGLIPLIRSA-N 0 3 296.411 2.359 20 30 CEEDHN CC(=O)N[C@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000420958920 376749185 /nfs/dbraw/zinc/74/91/85/376749185.db2.gz PTNNJRURKGELPF-AWEZNQCLSA-N 0 3 263.385 2.061 20 30 CEEDHN C=CCN1CC[C@H](N2CC[C@@H](C3CCCC3)C2)C1=O ZINC000420965958 376751681 /nfs/dbraw/zinc/75/16/81/376751681.db2.gz UCGMOAMLFKDNKD-CABCVRRESA-N 0 3 262.397 2.285 20 30 CEEDHN CC(=O)N[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000420993984 376765793 /nfs/dbraw/zinc/76/57/93/376765793.db2.gz ZOLMMVAQMMIAJV-HNNXBMFYSA-N 0 3 285.391 2.198 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](CCO)CC1 ZINC000421014582 376790705 /nfs/dbraw/zinc/79/07/05/376790705.db2.gz KNWBFEOFZBTENA-CVEARBPZSA-N 0 3 294.439 2.060 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccc(OC)c(OC)c1 ZINC000320215977 376821430 /nfs/dbraw/zinc/82/14/30/376821430.db2.gz GCNJKKDLUDQBTR-CYBMUJFWSA-N 0 3 265.353 2.121 20 30 CEEDHN COC1([C@H](C)NCc2cc(C#N)cs2)CCOCC1 ZINC000421398568 376811675 /nfs/dbraw/zinc/81/16/75/376811675.db2.gz GLAYZOZTPPAAHK-NSHDSACASA-N 0 3 280.393 2.293 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H]1CCOC1(C)C ZINC000328282203 376847837 /nfs/dbraw/zinc/84/78/37/376847837.db2.gz ZPTOSHVDMLYYBY-CQSZACIVSA-N 0 3 260.337 2.224 20 30 CEEDHN CCn1cnnc1[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000328720273 376884316 /nfs/dbraw/zinc/88/43/16/376884316.db2.gz GQRHVXVNQNTZRJ-MJBXVCDLSA-N 0 3 273.384 2.170 20 30 CEEDHN C#Cc1ccccc1CC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000290753832 376908900 /nfs/dbraw/zinc/90/89/00/376908900.db2.gz JTFNEYWVSFDYIN-GOSISDBHSA-N 0 3 296.414 2.297 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000328891389 376918037 /nfs/dbraw/zinc/91/80/37/376918037.db2.gz SNJMACIVCLZQDV-BKBUGSPTSA-N 0 3 288.391 2.474 20 30 CEEDHN CC(C)[C@@H](NC[C@H](C#N)CCC#N)[C@@H](CO)C(C)C ZINC000562554602 376932863 /nfs/dbraw/zinc/93/28/63/376932863.db2.gz OLODBSDEQMFABM-SOUVJXGZSA-N 0 3 265.401 2.309 20 30 CEEDHN Cc1cncc(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000329351031 376951819 /nfs/dbraw/zinc/95/18/19/376951819.db2.gz TZODKQFXDKELMD-ZDUSSCGKSA-N 0 3 288.395 2.044 20 30 CEEDHN CC#CCNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000290854052 376955605 /nfs/dbraw/zinc/95/56/05/376955605.db2.gz CZPULOBWCCLOTM-AWEZNQCLSA-N 0 3 287.407 2.438 20 30 CEEDHN C#CCN(CC)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000264805220 190135498 /nfs/dbraw/zinc/13/54/98/190135498.db2.gz UWDYDESZCKYPEE-HNNXBMFYSA-N 0 3 287.407 2.172 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000424844017 377306945 /nfs/dbraw/zinc/30/69/45/377306945.db2.gz BZEOOOQLOFSVDI-UHFFFAOYSA-N 0 3 290.411 2.113 20 30 CEEDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CCOc1ccccc1C#N ZINC000331303464 377367674 /nfs/dbraw/zinc/36/76/74/377367674.db2.gz XURFKCCPQUMSBN-IIAWOOMASA-N 0 3 288.391 2.418 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)CCn1ccnc1 ZINC000425538987 377369746 /nfs/dbraw/zinc/36/97/46/377369746.db2.gz SZZQYNANVYPHHJ-CYBMUJFWSA-N 0 3 254.337 2.448 20 30 CEEDHN CCN(CCC#N)C(=O)[C@@H](C)N1CCCCCC1 ZINC000426526104 377414828 /nfs/dbraw/zinc/41/48/28/377414828.db2.gz XRZFIZSFBMSYGT-CYBMUJFWSA-N 0 3 251.374 2.013 20 30 CEEDHN CC(C)NC(=O)NCCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000564915577 377505080 /nfs/dbraw/zinc/50/50/80/377505080.db2.gz IUXNDUQKBBLNLN-ZDUSSCGKSA-N 0 3 288.395 2.259 20 30 CEEDHN N#CCCCNC[C@@H](O)Cc1cccc(Cl)c1 ZINC000564873820 377486416 /nfs/dbraw/zinc/48/64/16/377486416.db2.gz TVVCUERVMWIQRK-ZDUSSCGKSA-N 0 3 252.745 2.137 20 30 CEEDHN CC[C@H]1CCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000564989637 377522196 /nfs/dbraw/zinc/52/21/96/377522196.db2.gz VMIXSIKLWZOMNF-AWEZNQCLSA-N 0 3 269.352 2.365 20 30 CEEDHN C#CCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000265098669 190157714 /nfs/dbraw/zinc/15/77/14/190157714.db2.gz WJDJIVMENDWRRO-MRXNPFEDSA-N 0 3 285.391 2.146 20 30 CEEDHN Cc1noc([C@@H]2CCN(Cc3cccc(C#N)c3)C2)n1 ZINC000332081838 377512675 /nfs/dbraw/zinc/51/26/75/377512675.db2.gz NBBXGYXJJAQKNG-CQSZACIVSA-N 0 3 268.320 2.239 20 30 CEEDHN C[C@H](CNC(=O)NCC1(CC#N)CC1)N1CCC[C@H](C)C1 ZINC000430175624 377525600 /nfs/dbraw/zinc/52/56/00/377525600.db2.gz FLJUNJPDIDSLKB-UONOGXRCSA-N 0 3 292.427 2.100 20 30 CEEDHN C=CCOc1cccc(NC(=O)/C=C/CN(C)C)c1 ZINC000265606339 190193362 /nfs/dbraw/zinc/19/33/62/190193362.db2.gz DGUDCEAONQHFKS-RMKNXTFCSA-N 0 3 260.337 2.308 20 30 CEEDHN CCC[C@H](CNCc1ccc(C#N)c(OC)c1)OC ZINC000293538801 377616403 /nfs/dbraw/zinc/61/64/03/377616403.db2.gz ALHYKRSSMDGSJU-CQSZACIVSA-N 0 3 262.353 2.472 20 30 CEEDHN N#Cc1cncnc1NC[C@H](c1ccccc1)N1CCCC1 ZINC000566148436 377735762 /nfs/dbraw/zinc/73/57/62/377735762.db2.gz BBKHOUHJVTUNTG-MRXNPFEDSA-N 0 3 293.374 2.019 20 30 CEEDHN N#CCCC[C@@H](NCC(=O)NC1CC1)c1ccccc1 ZINC000433011575 377777641 /nfs/dbraw/zinc/77/76/41/377777641.db2.gz GQUNGBZSRQDLRJ-OAHLLOKOSA-N 0 3 271.364 2.290 20 30 CEEDHN N#CCCC[C@H](NCCn1cncn1)c1ccccc1 ZINC000433011014 377777926 /nfs/dbraw/zinc/77/79/26/377777926.db2.gz MFGSCJFITKMLSD-HNNXBMFYSA-N 0 3 269.352 2.303 20 30 CEEDHN CCOCCCNC(=O)C(C#N)CCc1ccccc1 ZINC000433113462 377780235 /nfs/dbraw/zinc/78/02/35/377780235.db2.gz CJCKMSRLASGTCC-HNNXBMFYSA-N 0 3 274.364 2.302 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCCCn1ccnc1 ZINC000433099696 377780571 /nfs/dbraw/zinc/78/05/71/377780571.db2.gz BLZIUTSXVLAHEU-MRXNPFEDSA-N 0 3 296.374 2.162 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000333209405 377756263 /nfs/dbraw/zinc/75/62/63/377756263.db2.gz PJWWBOXVJMDDSP-CZUORRHYSA-N 0 3 275.396 2.061 20 30 CEEDHN C=CCCCCCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000566480488 377762077 /nfs/dbraw/zinc/76/20/77/377762077.db2.gz TYPVHYMTGSQNLL-QWHCGFSZSA-N 0 3 253.390 2.125 20 30 CEEDHN Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CC[C@H](C#N)C1 ZINC000567262208 377815886 /nfs/dbraw/zinc/81/58/86/377815886.db2.gz GPEFWOUTFLFTNN-ARFHVFGLSA-N 0 3 288.391 2.325 20 30 CEEDHN COC1(CNC(=O)C(C#N)CCc2ccccc2)CCC1 ZINC000433374004 377792373 /nfs/dbraw/zinc/79/23/73/377792373.db2.gz LMDNCLOTTYESTK-OAHLLOKOSA-N 0 3 286.375 2.444 20 30 CEEDHN C=CCc1cc(CN2CCC[C@H](O)CC2)cc(OC)c1O ZINC000294113925 377909637 /nfs/dbraw/zinc/90/96/37/377909637.db2.gz STUYCROTVIFTEN-HNNXBMFYSA-N 0 3 291.391 2.476 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000294743944 378017537 /nfs/dbraw/zinc/01/75/37/378017537.db2.gz XDFGVWBDVHXQMQ-HNNXBMFYSA-N 0 3 299.418 2.077 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1cccc(N2CCCC2)c1 ZINC000294743946 378017640 /nfs/dbraw/zinc/01/76/40/378017640.db2.gz XDFGVWBDVHXQMQ-OAHLLOKOSA-N 0 3 299.418 2.077 20 30 CEEDHN CCN(Cc1ccccc1)C(=O)CN[C@H]1CC[C@H](C#N)C1 ZINC000442793822 377996319 /nfs/dbraw/zinc/99/63/19/377996319.db2.gz SDNZNKITWIHEEG-HOTGVXAUSA-N 0 3 285.391 2.317 20 30 CEEDHN CN(C(=O)CN[C@@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000442796704 377998074 /nfs/dbraw/zinc/99/80/74/377998074.db2.gz VYOSCPSJHFJUAQ-QWHCGFSZSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCN(CCc1ccco1)CC1(C(=O)OC)CC1 ZINC000295053326 378036629 /nfs/dbraw/zinc/03/66/29/378036629.db2.gz USFCGKUHPRFYED-UHFFFAOYSA-N 0 3 263.337 2.263 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)c1snc(Cl)c1C#N ZINC000266014262 190222902 /nfs/dbraw/zinc/22/29/02/190222902.db2.gz QKFUVBYBOOAFFN-VIFPVBQESA-N 0 3 284.816 2.446 20 30 CEEDHN C=CC[C@H]1N(CC(=O)NC[C@@H]2CCCO2)CCCC1(C)C ZINC000444794314 378081416 /nfs/dbraw/zinc/08/14/16/378081416.db2.gz VBMYISANASHUQY-LSDHHAIUSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCN(C)CCCN[C@H](C)c1cnc(OC)c(Cl)c1 ZINC000294857829 378023681 /nfs/dbraw/zinc/02/36/81/378023681.db2.gz BTFMSKRUTLNLRF-GFCCVEGCSA-N 0 3 295.814 2.349 20 30 CEEDHN C#CCN(C)CCCN[C@H](C)c1nc2ccccc2n1C ZINC000294889986 378025903 /nfs/dbraw/zinc/02/59/03/378025903.db2.gz DWQGHAOJKDCGEG-CQSZACIVSA-N 0 3 284.407 2.179 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H]1CCNC(=O)CC1 ZINC000295556876 378210210 /nfs/dbraw/zinc/21/02/10/378210210.db2.gz PZPFDKXHQHVLIG-OAHLLOKOSA-N 0 3 297.402 2.463 20 30 CEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)NCCCN(C)Cc1ccccc1 ZINC000448607810 378175947 /nfs/dbraw/zinc/17/59/47/378175947.db2.gz ZOJAOYRQDCIZPY-PBHICJAKSA-N 0 3 285.391 2.174 20 30 CEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@]2(C#N)C[C@@H]2C)C1 ZINC000448772443 378183881 /nfs/dbraw/zinc/18/38/81/378183881.db2.gz DPHNEDDGOXBETN-KPEUIFRASA-N 0 3 297.402 2.488 20 30 CEEDHN CC[C@@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000298489780 378743945 /nfs/dbraw/zinc/74/39/45/378743945.db2.gz XNGUICAPQHPVGB-CQSZACIVSA-N 0 3 285.391 2.296 20 30 CEEDHN C=CCN(CCN1CCOCC1)Cc1ccccc1 ZINC000299628429 379077725 /nfs/dbraw/zinc/07/77/25/379077725.db2.gz VWZMMQHFBSRRRM-UHFFFAOYSA-N 0 3 260.381 2.007 20 30 CEEDHN CC1(C)C[C@H](NCc2nc(C#N)cs2)CCO1 ZINC000352834745 220264677 /nfs/dbraw/zinc/26/46/77/220264677.db2.gz IXEYOKWSCCQVBL-SECBINFHSA-N 0 3 251.355 2.062 20 30 CEEDHN C[C@H]1[C@@H](C)N(Cc2cnc3c(C#N)cnn3c2)C[C@H]1C ZINC000514862973 379158007 /nfs/dbraw/zinc/15/80/07/379158007.db2.gz KXWYDIKKSUBJSQ-IJLUTSLNSA-N 0 3 269.352 2.077 20 30 CEEDHN C=C(C)CN1CCC(Nc2ccc3nccnc3n2)CC1 ZINC000301184286 379212777 /nfs/dbraw/zinc/21/27/77/379212777.db2.gz QWHVIVXISDLTJW-UHFFFAOYSA-N 0 3 283.379 2.477 20 30 CEEDHN CCCCN1CCCC[C@@H]1CNc1nccnc1C#N ZINC000301207417 379220689 /nfs/dbraw/zinc/22/06/89/379220689.db2.gz ZWHOUSHRWPYLTI-CYBMUJFWSA-N 0 3 273.384 2.415 20 30 CEEDHN CC[C@@H](NC[C@@H](COC)OC)c1ccc(C#N)cc1 ZINC000278866851 194189041 /nfs/dbraw/zinc/18/90/41/194189041.db2.gz WQWQFGKCJLHAAO-LSDHHAIUSA-N 0 3 262.353 2.260 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)Nc1ccc(C#N)nn1 ZINC000302014220 379317138 /nfs/dbraw/zinc/31/71/38/379317138.db2.gz LCXZCCGBQKQMLH-CYBMUJFWSA-N 0 3 281.363 2.281 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000519815064 379457770 /nfs/dbraw/zinc/45/77/70/379457770.db2.gz GMZJTPYKHZODAQ-RDBSUJKOSA-N 0 3 279.409 2.074 20 30 CEEDHN CN(Cc1ccccc1)C[C@@H](O)COc1ccccc1C#N ZINC000303045890 379485868 /nfs/dbraw/zinc/48/58/68/379485868.db2.gz GZLWDRFYXJVHSI-QGZVFWFLSA-N 0 3 296.370 2.430 20 30 CEEDHN CN(C)[C@@]1(CNc2ccc(Cl)c(C#N)n2)CCSC1 ZINC000267040227 190299090 /nfs/dbraw/zinc/29/90/90/190299090.db2.gz CLGRBRKMZUBCRU-CYBMUJFWSA-N 0 3 296.827 2.456 20 30 CEEDHN CN(CC(=O)NC1(C#N)CCC1)[C@H]1CCc2ccccc2C1 ZINC000527377672 379754962 /nfs/dbraw/zinc/75/49/62/379754962.db2.gz WCCRWJXHLUEXPA-INIZCTEOSA-N 0 3 297.402 2.038 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N(C)C[C@@H]1CC=CCC1 ZINC000527299451 379745056 /nfs/dbraw/zinc/74/50/56/379745056.db2.gz DFPBQBYTQOOUSX-ZIAGYGMSSA-N 0 3 275.396 2.225 20 30 CEEDHN C=CCN(C)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000487902766 380089896 /nfs/dbraw/zinc/08/98/96/380089896.db2.gz ACNSWZGAVKRVGD-QWHCGFSZSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCN1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000268210172 190386543 /nfs/dbraw/zinc/38/65/43/190386543.db2.gz ACMGJGMQFBFEGT-UHFFFAOYSA-N 0 3 276.380 2.402 20 30 CEEDHN C[C@H]1C[C@H](Nc2nccnc2C#N)CN1Cc1ccccc1 ZINC000268212206 190386768 /nfs/dbraw/zinc/38/67/68/190386768.db2.gz ZUAKVDHXAPCJAX-ZFWWWQNUSA-N 0 3 293.374 2.423 20 30 CEEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1cnc2ccc(C#N)cn12 ZINC000529668190 380183383 /nfs/dbraw/zinc/18/33/83/380183383.db2.gz DSWIRKUBKDXBOF-PVTKRXDGSA-N 0 3 284.363 2.107 20 30 CEEDHN COc1ccc(C(C)(C)NC(=O)C(C)C#N)cc1F ZINC000529849650 380188255 /nfs/dbraw/zinc/18/82/55/380188255.db2.gz RTDYYBIYAQRWER-SECBINFHSA-N 0 3 264.300 2.345 20 30 CEEDHN COC[C@@H]1CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000529923365 380189940 /nfs/dbraw/zinc/18/99/40/380189940.db2.gz BOYQVZWHKJZYGB-HOTGVXAUSA-N 0 3 286.375 2.396 20 30 CEEDHN N#CCc1cccc(C(=O)NC[C@H]2CCN2C2CCCC2)c1 ZINC000530027048 380192905 /nfs/dbraw/zinc/19/29/05/380192905.db2.gz WFKQYPJDIVHUON-QGZVFWFLSA-N 0 3 297.402 2.499 20 30 CEEDHN C[C@H]1CCC[C@](C#N)(NC(=O)CC2CCN(C)CC2)C1 ZINC000334151477 380245382 /nfs/dbraw/zinc/24/53/82/380245382.db2.gz KULWHJGYWZCPKG-BBRMVZONSA-N 0 3 277.412 2.307 20 30 CEEDHN C=CCN(C(=O)CCN(C)c1ccncc1)C1CC1 ZINC000541854635 380281349 /nfs/dbraw/zinc/28/13/49/380281349.db2.gz NMJBQTROAMFKNB-UHFFFAOYSA-N 0 3 259.353 2.085 20 30 CEEDHN N#CCC1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000541951663 380291450 /nfs/dbraw/zinc/29/14/50/380291450.db2.gz HAZFNSLEIPKUGH-HNNXBMFYSA-N 0 3 274.364 2.052 20 30 CEEDHN C#C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000491633569 380338336 /nfs/dbraw/zinc/33/83/36/380338336.db2.gz UJMJYAQLIMJVAL-GFCCVEGCSA-N 0 3 289.335 2.171 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNc1ccncc1C#N ZINC000548480540 380524355 /nfs/dbraw/zinc/52/43/55/380524355.db2.gz WJTBDIAHEDWQDQ-CHWSQXEVSA-N 0 3 258.369 2.050 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000334566605 380606868 /nfs/dbraw/zinc/60/68/68/380606868.db2.gz SLMDIEDTJALHGX-CHWSQXEVSA-N 0 3 250.386 2.141 20 30 CEEDHN C#CC(C)(C)N(C)C[C@@H](O)COCc1ccccc1F ZINC000279155166 194309257 /nfs/dbraw/zinc/30/92/57/194309257.db2.gz ATONVVKHVKQXMV-CQSZACIVSA-N 0 3 279.355 2.047 20 30 CEEDHN CC(C)[C@@H](CO)CNC(=O)C(C#N)CCc1ccccc1 ZINC000554052526 380755246 /nfs/dbraw/zinc/75/52/46/380755246.db2.gz PDYYKCBNVAHGAN-JKSUJKDBSA-N 0 3 288.391 2.140 20 30 CEEDHN CCC(CC)(CNC(=O)C(C)C#N)NC(=O)OC(C)(C)C ZINC000493138545 380814910 /nfs/dbraw/zinc/81/49/10/380814910.db2.gz KLAKOPQFEANVJC-NSHDSACASA-N 0 3 297.399 2.346 20 30 CEEDHN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(C)C#N ZINC000493628379 381097868 /nfs/dbraw/zinc/09/78/68/381097868.db2.gz HGLGYMGZLONTJQ-RYUDHWBXSA-N 0 3 297.399 2.346 20 30 CEEDHN C#CCCCN1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000494140763 381154226 /nfs/dbraw/zinc/15/42/26/381154226.db2.gz FLOLVANEZUYFRX-UHFFFAOYSA-N 0 3 266.385 2.343 20 30 CEEDHN CC(C#N)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000494522565 381159676 /nfs/dbraw/zinc/15/96/76/381159676.db2.gz KTFIPTUZFFQPKV-WOPDTQHZSA-N 0 3 295.383 2.002 20 30 CEEDHN CC(C#N)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000494522563 381160143 /nfs/dbraw/zinc/16/01/43/381160143.db2.gz KTFIPTUZFFQPKV-UTUOFQBUSA-N 0 3 295.383 2.002 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2CC2(C)C)CC1 ZINC000494875006 381164495 /nfs/dbraw/zinc/16/44/95/381164495.db2.gz RYCZGGSMZTWSBF-ZDUSSCGKSA-N 0 3 265.401 2.077 20 30 CEEDHN C=CCOCCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000495595054 381176712 /nfs/dbraw/zinc/17/67/12/381176712.db2.gz OKAHEGXCKKRTBN-UONOGXRCSA-N 0 3 298.427 2.424 20 30 CEEDHN C=CCOCCN1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000495655805 381179659 /nfs/dbraw/zinc/17/96/59/381179659.db2.gz XIFONDCYPUKVAH-CQSZACIVSA-N 0 3 298.427 2.426 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000496279292 381206663 /nfs/dbraw/zinc/20/66/63/381206663.db2.gz XTHBXUHHSWAPMO-IJLUTSLNSA-N 0 3 295.383 2.098 20 30 CEEDHN CN(C)C(=O)O[C@@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000496422136 381212133 /nfs/dbraw/zinc/21/21/33/381212133.db2.gz VIUGBMIDQYSTDD-GFCCVEGCSA-N 0 3 267.373 2.089 20 30 CEEDHN CN1CC=C(CNC(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000335286946 208109036 /nfs/dbraw/zinc/10/90/36/208109036.db2.gz BGERRZKAOSZBJJ-UHFFFAOYSA-N 0 3 289.766 2.203 20 30 CEEDHN C=CCOCCNCc1ccc(-n2ccnc2)cc1 ZINC000388454106 542370957 /nfs/dbraw/zinc/37/09/57/542370957.db2.gz ZBYJGAAPRPHIMB-UHFFFAOYSA-N 0 3 257.337 2.165 20 30 CEEDHN CC(C#N)C(=O)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000347135287 533108568 /nfs/dbraw/zinc/10/85/68/533108568.db2.gz NCQMGBJXLZZUFL-LBPRGKRZSA-N 0 3 268.320 2.098 20 30 CEEDHN CC(C#N)C(=O)N(C)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000352791234 533108677 /nfs/dbraw/zinc/10/86/77/533108677.db2.gz YNQSTXLWJAISCV-WCQYABFASA-N 0 3 268.320 2.117 20 30 CEEDHN CO[C@H]1CCN(CCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000281582096 195295952 /nfs/dbraw/zinc/29/59/52/195295952.db2.gz DJXLETVMPZGDGT-BBRMVZONSA-N 0 3 274.364 2.436 20 30 CEEDHN COc1ccc(Br)c(CNC(=O)C(C)C#N)c1 ZINC000347032060 533259461 /nfs/dbraw/zinc/25/94/61/533259461.db2.gz FRPKVOPFMIOXPC-QMMMGPOBSA-N 0 3 297.152 2.234 20 30 CEEDHN COC(=O)C[C@@H](NCC1(C#N)CC1)C1CCCCC1 ZINC000347965030 533612929 /nfs/dbraw/zinc/61/29/29/533612929.db2.gz QUGXQZHYSSAKNN-CYBMUJFWSA-N 0 3 264.369 2.392 20 30 CEEDHN C=CCOCCCC(=O)Nc1cccc(CNC)c1 ZINC000237106120 131005127 /nfs/dbraw/zinc/00/51/27/131005127.db2.gz XHGULVNHWHIIEM-UHFFFAOYSA-N 0 3 262.353 2.327 20 30 CEEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC1)N1[C@H](C)CC[C@H]1C ZINC000413251259 394512903 /nfs/dbraw/zinc/51/29/03/394512903.db2.gz WNKCJFFSBLTFTB-UPJWGTAASA-N 0 3 263.385 2.152 20 30 CEEDHN CC[C@H](C(=O)NCc1ccc(C#N)s1)N(CC)CC ZINC000421598487 394558828 /nfs/dbraw/zinc/55/88/28/394558828.db2.gz AJSFYURHJMGHHX-CYBMUJFWSA-N 0 3 279.409 2.356 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000329906609 394592840 /nfs/dbraw/zinc/59/28/40/394592840.db2.gz KFRFXVCMMLSBJS-YESZJQIVSA-N 0 3 293.370 2.499 20 30 CEEDHN CC(C)(CO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356426482 394577901 /nfs/dbraw/zinc/57/79/01/394577901.db2.gz YIBRAIZKWJZYJV-UHFFFAOYSA-N 0 3 272.270 2.438 20 30 CEEDHN O=C(NCC[C@@H]1CCOC1)[C@H]1CCCN1C1CCOCC1 ZINC000329761028 394583580 /nfs/dbraw/zinc/58/35/80/394583580.db2.gz QYRQTRQHDLKJIL-UKRRQHHQSA-N 0 3 296.411 2.013 20 30 CEEDHN CC(C)CN1CCN(Cc2ccccc2C#N)CC1 ZINC000048695264 394522583 /nfs/dbraw/zinc/52/25/83/394522583.db2.gz DQTJSILGJPIVMO-UHFFFAOYSA-N 0 3 257.381 2.332 20 30 CEEDHN Cc1ccccc1C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000330384864 394603690 /nfs/dbraw/zinc/60/36/90/394603690.db2.gz ZZPAIYNCUCOTGN-HNNXBMFYSA-N 0 3 290.407 2.392 20 30 CEEDHN C[C@H]1CCc2nc(NC(=O)NCCN(C)C)sc2C1 ZINC000330460418 394613026 /nfs/dbraw/zinc/61/30/26/394613026.db2.gz VMXZNAGFIJARBR-VIFPVBQESA-N 0 3 282.413 2.155 20 30 CEEDHN C[C@@](O)(CNC(=N)Nc1cc(F)ccc1F)C(F)(F)F ZINC000262271550 394615511 /nfs/dbraw/zinc/61/55/11/394615511.db2.gz ILTBEJIUYMFCDF-SNVBAGLBSA-N 0 3 297.227 2.005 20 30 CEEDHN C[C@H]1CCC[C@H](C)N(CC(=O)NC2(C#N)CCC2)C1 ZINC000334258462 394669249 /nfs/dbraw/zinc/66/92/49/394669249.db2.gz OYDUAXHKDFFQSI-STQMWFEESA-N 0 3 263.385 2.059 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000335045989 394730248 /nfs/dbraw/zinc/73/02/48/394730248.db2.gz UNDGGEKPESQLDS-BXKDBHETSA-N 0 3 262.284 2.315 20 30 CEEDHN C=C(C)CNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000335147755 394743312 /nfs/dbraw/zinc/74/33/12/394743312.db2.gz XHMPNSAXZZTZBT-UHFFFAOYSA-N 0 3 263.316 2.169 20 30 CEEDHN CC#CCNC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000359339512 394748257 /nfs/dbraw/zinc/74/82/57/394748257.db2.gz YRQXBKMZYBURAA-QWHCGFSZSA-N 0 3 277.368 2.031 20 30 CEEDHN Cc1ccc([O-])c(C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000271326723 394754847 /nfs/dbraw/zinc/75/48/47/394754847.db2.gz ZEJVXYHKKWLQHT-UHFFFAOYSA-N 0 3 289.379 2.008 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(C(C)C)C1CCOCC1 ZINC000119648269 394770551 /nfs/dbraw/zinc/77/05/51/394770551.db2.gz JGIVBXWSKPJRIB-UHFFFAOYSA-N 0 3 282.428 2.300 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272438251 394772103 /nfs/dbraw/zinc/77/21/03/394772103.db2.gz OFEWQJQKUHATLU-GOEBONIOSA-N 0 3 298.390 2.425 20 30 CEEDHN C=CCOc1ccc(CN(C)C[C@H](C)C(=O)OC)cc1 ZINC000120996507 394789702 /nfs/dbraw/zinc/78/97/02/394789702.db2.gz KIEKKQZDWFWCHM-ZDUSSCGKSA-N 0 3 277.364 2.492 20 30 CEEDHN C#CCC(C)(C)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000274371370 394796618 /nfs/dbraw/zinc/79/66/18/394796618.db2.gz VYCBQHQFSXTCND-UHFFFAOYSA-N 0 3 298.430 2.251 20 30 CEEDHN COc1cc(CCNC(=O)C(C)C#N)ccc1Cl ZINC000360841927 394808421 /nfs/dbraw/zinc/80/84/21/394808421.db2.gz KKIWDMQQHXSYRL-VIFPVBQESA-N 0 3 266.728 2.167 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000335906922 394809893 /nfs/dbraw/zinc/80/98/93/394809893.db2.gz KYMKQQDKINYNGL-ZYHUDNBSSA-N 0 3 277.755 2.195 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2cncc(F)c2)CC1 ZINC000281895579 394871088 /nfs/dbraw/zinc/87/10/88/394871088.db2.gz HSHROASNKWMNCO-UHFFFAOYSA-N 0 3 292.358 2.383 20 30 CEEDHN C=CC[C@H](CO)CNCc1ccc(Br)cn1 ZINC000336671693 394871520 /nfs/dbraw/zinc/87/15/20/394871520.db2.gz IGZBCDVJIYQJHC-JTQLQIEISA-N 0 3 285.185 2.118 20 30 CEEDHN CCN1CCC[C@H]1CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000124727019 394839682 /nfs/dbraw/zinc/83/96/82/394839682.db2.gz YCVUIXMJHKFMBX-LBPRGKRZSA-N 0 3 274.324 2.363 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000336350527 394846529 /nfs/dbraw/zinc/84/65/29/394846529.db2.gz QWVODOWZSIPPAA-HIFRSBDPSA-N 0 3 277.412 2.387 20 30 CEEDHN COCCN(C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000127167342 394850510 /nfs/dbraw/zinc/85/05/10/394850510.db2.gz FSQPHFIAPIGAIN-UHFFFAOYSA-N 0 3 292.379 2.456 20 30 CEEDHN CN(C)CC1(NC(=O)Nc2ccc(C#N)cc2)CCC1 ZINC000281258694 394853750 /nfs/dbraw/zinc/85/37/50/394853750.db2.gz HHYMWIVDFABARA-UHFFFAOYSA-N 0 3 272.352 2.164 20 30 CEEDHN C=C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000362378098 394857268 /nfs/dbraw/zinc/85/72/68/394857268.db2.gz BKTOYSUYRRPNBO-UKRRQHHQSA-N 0 3 273.380 2.135 20 30 CEEDHN N#Cc1ccc(OC[C@@H](O)CN2CC3(C2)CCCC3)cc1 ZINC000364489586 394910390 /nfs/dbraw/zinc/91/03/90/394910390.db2.gz XPJAPAGJNHUYLO-HNNXBMFYSA-N 0 3 286.375 2.174 20 30 CEEDHN CC(C)(C#N)CCN1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000338383509 394918573 /nfs/dbraw/zinc/91/85/73/394918573.db2.gz ZZTAXHYEHOYMMW-GFCCVEGCSA-N 0 3 273.384 2.008 20 30 CEEDHN C#CC[C@H](NCCN1CCO[C@@H](C)C1)c1ccccc1 ZINC000283456990 394933376 /nfs/dbraw/zinc/93/33/76/394933376.db2.gz YMUMFFQBRZCWJO-RDJZCZTQSA-N 0 3 272.392 2.061 20 30 CEEDHN C[C@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(C#N)cc1 ZINC000283935867 394939502 /nfs/dbraw/zinc/93/95/02/394939502.db2.gz CUZRBVRSZLLYTI-JSGCOSHPSA-N 0 3 292.404 2.034 20 30 CEEDHN C=CCOCCN(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000339131357 394945457 /nfs/dbraw/zinc/94/54/57/394945457.db2.gz UXBHEBFHOGNYAR-UHFFFAOYSA-N 0 3 251.374 2.342 20 30 CEEDHN C=CCCCCCN1CC[C@H](CS(C)(=O)=O)C1 ZINC000366444711 394945618 /nfs/dbraw/zinc/94/56/18/394945618.db2.gz STFIEGTXAHPEAB-ZDUSSCGKSA-N 0 3 259.415 2.099 20 30 CEEDHN C#CCN(CCC(=O)NC(C)C)Cc1ccccc1 ZINC000285899310 394980720 /nfs/dbraw/zinc/98/07/20/394980720.db2.gz ZRYGPVQOOCLYDZ-UHFFFAOYSA-N 0 3 258.365 2.037 20 30 CEEDHN C=CCC[C@H](NC[C@]1(O)CCOC1)c1ccco1 ZINC000285961523 394992028 /nfs/dbraw/zinc/99/20/28/394992028.db2.gz FMUBJKPPKVXEQI-GXTWGEPZSA-N 0 3 251.326 2.028 20 30 CEEDHN C=CCSCCNC(=O)N1CCCN(CCC)CC1 ZINC000152579492 394997131 /nfs/dbraw/zinc/99/71/31/394997131.db2.gz DPRGDYNCKXPWRN-UHFFFAOYSA-N 0 3 285.457 2.033 20 30 CEEDHN CN(C(=O)CN1C[C@@H]2CCC[C@@H]2C1)C1(C#N)CCCCC1 ZINC000152887568 394998916 /nfs/dbraw/zinc/99/89/16/394998916.db2.gz RFVVMYVWHONMQP-GASCZTMLSA-N 0 3 289.423 2.403 20 30 CEEDHN C=CCCOCCCCC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000342982683 395028573 /nfs/dbraw/zinc/02/85/73/395028573.db2.gz YQIMVXSTUWYMIK-HUUCEWRRSA-N 0 3 294.439 2.491 20 30 CEEDHN C=CCC[C@@H](NC[C@H](O)c1cnn(C)c1)c1ccco1 ZINC000286073684 395008524 /nfs/dbraw/zinc/00/85/24/395008524.db2.gz LZQOHIXZEZSUHI-KGLIPLIRSA-N 0 3 275.352 2.344 20 30 CEEDHN COCC1(C#N)CCN(CC2(OC)CCCC2)CC1 ZINC000342821034 395023559 /nfs/dbraw/zinc/02/35/59/395023559.db2.gz LCFSLBGQJCMDEG-UHFFFAOYSA-N 0 3 266.385 2.198 20 30 CEEDHN C=CCC[C@H](NC[C@@H]1CN(C)CCN1C)c1ccco1 ZINC000285500009 394957585 /nfs/dbraw/zinc/95/75/85/394957585.db2.gz AESMXWBWLVUMHY-CABCVRRESA-N 0 3 277.412 2.122 20 30 CEEDHN C=CCCOCCNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000339888728 394973321 /nfs/dbraw/zinc/97/33/21/394973321.db2.gz DEYPLOGBOWUNIZ-OAHLLOKOSA-N 0 3 282.428 2.206 20 30 CEEDHN CN1CC[C@@H](NCCCC#N)[C@H]1c1ccc(F)cc1 ZINC000368056217 394977283 /nfs/dbraw/zinc/97/72/83/394977283.db2.gz JZFBXIVOAXKEIS-HUUCEWRRSA-N 0 3 261.344 2.464 20 30 CEEDHN C=CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000368095928 394977945 /nfs/dbraw/zinc/97/79/45/394977945.db2.gz UUJJIJQTMYASMR-HNNXBMFYSA-N 0 3 268.376 2.376 20 30 CEEDHN C=CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000368095929 394978400 /nfs/dbraw/zinc/97/84/00/394978400.db2.gz UUJJIJQTMYASMR-OAHLLOKOSA-N 0 3 268.376 2.376 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)CCC1 ZINC000372776101 395046708 /nfs/dbraw/zinc/04/67/08/395046708.db2.gz KWFYUKMGLLZNDS-ZIAGYGMSSA-N 0 3 262.397 2.285 20 30 CEEDHN Cc1cc(NCCN2[C@H](C)CCC[C@@H]2C)c(C#N)cn1 ZINC000425220243 395052388 /nfs/dbraw/zinc/05/23/88/395052388.db2.gz CBEPWSYEUZIAGW-OKILXGFUSA-N 0 3 272.396 2.358 20 30 CEEDHN C#CCN1CCC(C(=O)NCC(=C)c2ccccc2)CC1 ZINC000288144681 395053945 /nfs/dbraw/zinc/05/39/45/395053945.db2.gz KUDDFQAFPRBTQM-UHFFFAOYSA-N 0 3 282.387 2.161 20 30 CEEDHN C#CCC(CC#C)C(=O)Nc1ccccc1CCN(C)C ZINC000288840629 395067245 /nfs/dbraw/zinc/06/72/45/395067245.db2.gz DNPUIWLENWUDJB-UHFFFAOYSA-N 0 3 282.387 2.392 20 30 CEEDHN C=CCN1CCC(O)(Cc2ccccc2OC)CC1 ZINC000373967878 395069021 /nfs/dbraw/zinc/06/90/21/395069021.db2.gz IVGIQPKNMHPKGE-UHFFFAOYSA-N 0 3 261.365 2.251 20 30 CEEDHN N#CCCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000345819812 395079023 /nfs/dbraw/zinc/07/90/23/395079023.db2.gz TYDHBQDDEDLONE-UHFFFAOYSA-N 0 3 292.427 2.198 20 30 CEEDHN C=C[C@H](CO)N[C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000289705621 395084054 /nfs/dbraw/zinc/08/40/54/395084054.db2.gz IWRONXHYGLJHAN-ZIAGYGMSSA-N 0 3 276.380 2.157 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NC1CCN(CC)CC1 ZINC000346014788 395084968 /nfs/dbraw/zinc/08/49/68/395084968.db2.gz LLCAFZHFHHANGJ-GFCCVEGCSA-N 0 3 253.390 2.125 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(OC)c(OCC(=C)C)c1 ZINC000289766248 395086252 /nfs/dbraw/zinc/08/62/52/395086252.db2.gz IMYHHEYPHGSZQM-CQSZACIVSA-N 0 3 277.364 2.287 20 30 CEEDHN C=C[C@H](CO)N[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000289774454 395086472 /nfs/dbraw/zinc/08/64/72/395086472.db2.gz MIHKBAALJVRCFW-DGCLKSJQSA-N 0 3 263.337 2.045 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(SC)c(OC)c1 ZINC000289941083 395091556 /nfs/dbraw/zinc/09/15/56/395091556.db2.gz UJLAHALARNSKSW-LLVKDONJSA-N 0 3 253.367 2.054 20 30 CEEDHN C=C[C@H](CO)N[C@@H](C)CC(=O)Nc1ccccc1CC ZINC000289935713 395091574 /nfs/dbraw/zinc/09/15/74/395091574.db2.gz VRVFIMBAQBZYRK-GXTWGEPZSA-N 0 3 276.380 2.103 20 30 CEEDHN CCC(C#N)S(=O)(=O)N(CCC#N)c1ccc(C)cc1 ZINC000416941548 395095231 /nfs/dbraw/zinc/09/52/31/395095231.db2.gz ACXIVVLKLGCRTD-AWEZNQCLSA-N 0 3 291.376 2.347 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C[C@@](C)(O)C=C)C(C)C ZINC000290155394 395095500 /nfs/dbraw/zinc/09/55/00/395095500.db2.gz OBNLRSDEGMZMJC-RDJZCZTQSA-N 0 3 294.439 2.128 20 30 CEEDHN CC[C@@H](C)CN(CC)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000346377709 395097724 /nfs/dbraw/zinc/09/77/24/395097724.db2.gz FASNULQULHYBDY-CHWSQXEVSA-N 0 3 265.401 2.305 20 30 CEEDHN CN(C)[C@H](CC(=O)N1CC(C)(C#N)C1)c1ccccc1 ZINC000416220393 395033551 /nfs/dbraw/zinc/03/35/51/395033551.db2.gz ABPISDCJDLOKLC-CQSZACIVSA-N 0 3 271.364 2.051 20 30 CEEDHN CCCN(CC)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000343655983 395042911 /nfs/dbraw/zinc/04/29/11/395042911.db2.gz XDYXGXZQHOTRIW-CYBMUJFWSA-N 0 3 265.401 2.449 20 30 CEEDHN N#CCSCCCN1CCC[C@@H](n2cccn2)C1 ZINC000372628666 395044335 /nfs/dbraw/zinc/04/43/35/395044335.db2.gz VEJNAAZJECOAJT-CYBMUJFWSA-N 0 3 264.398 2.167 20 30 CEEDHN C[C@@H](NCC(=O)NC1(C#N)CCC1)[C@@H](C)c1ccccc1 ZINC000346932473 395113636 /nfs/dbraw/zinc/11/36/36/395113636.db2.gz BDXMWBSFGJSKGL-ZIAGYGMSSA-N 0 3 285.391 2.331 20 30 CEEDHN C=CCCCC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000375953474 395106193 /nfs/dbraw/zinc/10/61/93/395106193.db2.gz JIWBDJYYUPPNSN-HNNXBMFYSA-N 0 3 258.365 2.346 20 30 CEEDHN C=C(C)CN1CCC(Nc2cccnc2C#N)CC1 ZINC000290501896 395106414 /nfs/dbraw/zinc/10/64/14/395106414.db2.gz DPIHFLGQAKUNCP-UHFFFAOYSA-N 0 3 256.353 2.406 20 30 CEEDHN C#CCCCC[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000290520095 395106596 /nfs/dbraw/zinc/10/65/96/395106596.db2.gz YWUDCISODOECNC-AWEZNQCLSA-N 0 3 254.337 2.287 20 30 CEEDHN CC#CCN1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000376018751 395106909 /nfs/dbraw/zinc/10/69/09/395106909.db2.gz KKHZXSSFTGUWFK-UHFFFAOYSA-N 0 3 257.377 2.388 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000350088101 395180539 /nfs/dbraw/zinc/18/05/39/395180539.db2.gz UXXFRTTXWPLYML-KNCOVGOOSA-N 0 3 279.428 2.409 20 30 CEEDHN CN(CCN(C)C1CC1)c1cccc(-n2cccn2)c1C#N ZINC000516491587 395178718 /nfs/dbraw/zinc/17/87/18/395178718.db2.gz CCVMUMLCFNULQH-UHFFFAOYSA-N 0 3 295.390 2.274 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1cccc(C2CC2)c1 ZINC000293861744 395254808 /nfs/dbraw/zinc/25/48/08/395254808.db2.gz UNHAGEICWSKTQR-ZDUSSCGKSA-N 0 3 270.376 2.354 20 30 CEEDHN N#CC1CCN(C[C@H](O)CCc2ccccc2)CC1 ZINC000182291277 395238585 /nfs/dbraw/zinc/23/85/85/395238585.db2.gz MSLWNWNNFAJPML-MRXNPFEDSA-N 0 3 258.365 2.216 20 30 CEEDHN Cc1ccc([C@H](C)NCC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000182316826 395239010 /nfs/dbraw/zinc/23/90/10/395239010.db2.gz BCBJKSNIRQDVMK-GUYCJALGSA-N 0 3 285.391 2.454 20 30 CEEDHN C=C(C)CN(C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000182432320 395241843 /nfs/dbraw/zinc/24/18/43/395241843.db2.gz JFTKBMXPTVBRBR-MRXNPFEDSA-N 0 3 289.423 2.377 20 30 CEEDHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)N(C)C1CC1 ZINC000517527806 395189035 /nfs/dbraw/zinc/18/90/35/395189035.db2.gz DLBKPEULZZGMIB-AFAVFJNCSA-N 0 3 297.402 2.261 20 30 CEEDHN C[C@]1(NCc2ccc(C#N)cn2)CCO[C@@H]1C1CC1 ZINC000517387543 395189054 /nfs/dbraw/zinc/18/90/54/395189054.db2.gz JQLSHOSCSVWCLK-CABCVRRESA-N 0 3 257.337 2.000 20 30 CEEDHN Cc1c(Cl)cnc(N2CC[C@@]3(CCN(C)C3)C2)c1C#N ZINC000292295426 395191333 /nfs/dbraw/zinc/19/13/33/395191333.db2.gz NIJYCSMWVHNMFH-OAHLLOKOSA-N 0 3 290.798 2.447 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCCO[C@@H](C(C)C)C1 ZINC000293118725 395219498 /nfs/dbraw/zinc/21/94/98/395219498.db2.gz MCRWINDPKSGSSY-JKSUJKDBSA-N 0 3 294.439 2.322 20 30 CEEDHN CC[C@H](CC#N)NC[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000519768900 395222716 /nfs/dbraw/zinc/22/27/16/395222716.db2.gz YGPRGSBZNKSNQP-GOEBONIOSA-N 0 3 285.391 2.431 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](CC)c1ccccc1 ZINC000293889896 395256712 /nfs/dbraw/zinc/25/67/12/395256712.db2.gz DKLQJHGQZAZDBX-MRXNPFEDSA-N 0 3 272.392 2.252 20 30 CEEDHN CC(C)[C@H]1CN(Cc2cc(C#N)n(C)c2)CCCO1 ZINC000293922195 395257558 /nfs/dbraw/zinc/25/75/58/395257558.db2.gz GSHUAQLYLFJENF-OAHLLOKOSA-N 0 3 261.369 2.144 20 30 CEEDHN N#C[C@H]1CC[C@H](NCCNC(=O)CC2CCCCC2)C1 ZINC000442869081 395397489 /nfs/dbraw/zinc/39/74/89/395397489.db2.gz HYMOBHCJYUKJNO-GJZGRUSLSA-N 0 3 277.412 2.355 20 30 CEEDHN CC[C@H](C)[C@](C)(O)CNCc1ccc(C#N)c(OC)c1 ZINC000440810762 395360766 /nfs/dbraw/zinc/36/07/66/395360766.db2.gz FFBUNXYJXHHXNI-BLLLJJGKSA-N 0 3 276.380 2.454 20 30 CEEDHN C(#Cc1ccccc1)CN1CCC[C@@H](C2OCCO2)C1 ZINC000191988440 395368187 /nfs/dbraw/zinc/36/81/87/395368187.db2.gz AUGVVGCVCBOLCC-MRXNPFEDSA-N 0 3 271.360 2.123 20 30 CEEDHN C=CCN[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000192150168 395374494 /nfs/dbraw/zinc/37/44/94/395374494.db2.gz RCRDVFLNBPKPBH-JSGCOSHPSA-N 0 3 264.756 2.387 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2cccnc2-n2cccn2)C1 ZINC000442717927 395392449 /nfs/dbraw/zinc/39/24/49/395392449.db2.gz PMLKZNXRFUBOMK-OCCSQVGLSA-N 0 3 267.336 2.049 20 30 CEEDHN N#CC(C(=O)c1ccc2c(c1)CCC2)c1ccncn1 ZINC000354457491 395332875 /nfs/dbraw/zinc/33/28/75/395332875.db2.gz BDWXMOKLEZCKQY-AWEZNQCLSA-N 0 3 263.300 2.455 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000411633751 395334444 /nfs/dbraw/zinc/33/44/44/395334444.db2.gz JTAUOCJQCGYWHP-MXWKQRLJSA-N 0 3 264.291 2.314 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1nncn1-c1ccccc1 ZINC000411644955 395334616 /nfs/dbraw/zinc/33/46/16/395334616.db2.gz KEXGVETYFLNVEU-UHFFFAOYSA-N 0 3 299.422 2.207 20 30 CEEDHN OC[C@@H](NCC#Cc1ccccc1Cl)[C@@H]1CCCOC1 ZINC000411988978 395345235 /nfs/dbraw/zinc/34/52/35/395345235.db2.gz HHMLAOTZMDUFFX-GDBMZVCRSA-N 0 3 293.794 2.069 20 30 CEEDHN CCN(CCC(=O)N(C)CCC#N)Cc1occc1C ZINC000412031490 395345653 /nfs/dbraw/zinc/34/56/53/395345653.db2.gz YBZDXZDSTHZHOT-UHFFFAOYSA-N 0 3 277.368 2.172 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530025827 395453939 /nfs/dbraw/zinc/45/39/39/395453939.db2.gz FSXHHICQGOMTHL-CYBMUJFWSA-N 0 3 287.363 2.206 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NCC(C)(C)N1CCCCC1 ZINC000448582514 395519768 /nfs/dbraw/zinc/51/97/68/395519768.db2.gz OHMRZGQFZGBYIF-UHFFFAOYSA-N 0 3 288.395 2.189 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000448699693 395531655 /nfs/dbraw/zinc/53/16/55/395531655.db2.gz VAPGATGZMCNIKO-VXGBXAGGSA-N 0 3 288.395 2.188 20 30 CEEDHN C=CC(C)(C)CNCc1cn(Cc2cccnc2)nn1 ZINC000449485752 395550972 /nfs/dbraw/zinc/55/09/72/395550972.db2.gz OOGRHGIPMPTGPN-UHFFFAOYSA-N 0 3 271.368 2.023 20 30 CEEDHN N#Cc1ccc(CN[C@H]([C@H](CO)C2CC2)C2CC2)o1 ZINC000449514157 395552535 /nfs/dbraw/zinc/55/25/35/395552535.db2.gz XTAJSRZVHPCHSW-CABCVRRESA-N 0 3 260.337 2.038 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000449737902 395560404 /nfs/dbraw/zinc/56/04/04/395560404.db2.gz VROJEQNQSKVZJZ-BZNIZROVSA-N 0 3 273.355 2.270 20 30 CEEDHN CC1(C)CN(CC(=O)NC2(C#N)CCC2)[C@@H]2CCC[C@H]21 ZINC000568870957 395570823 /nfs/dbraw/zinc/57/08/23/395570823.db2.gz RMEGVCNAXQHLAQ-CHWSQXEVSA-N 0 3 275.396 2.059 20 30 CEEDHN CC[C@@H]1CN(CC)CCN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000450825935 395578527 /nfs/dbraw/zinc/57/85/27/395578527.db2.gz FZAKCGIJFQYNNU-CYBMUJFWSA-N 0 3 288.351 2.387 20 30 CEEDHN CCC[C@@](C)(N)C(=O)N1CCC(CCC#N)CC1 ZINC000569849072 395580662 /nfs/dbraw/zinc/58/06/62/395580662.db2.gz RMGVDSOTDRFEKH-CQSZACIVSA-N 0 3 251.374 2.046 20 30 CEEDHN CC(C)O[C@H]1C[C@@H](NCc2cnc3ccc(C#N)cn23)C1 ZINC000459636575 395666514 /nfs/dbraw/zinc/66/65/14/395666514.db2.gz RRICQUKVBFGIFT-OTVXOJSOSA-N 0 3 284.363 2.252 20 30 CEEDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2ccc(C#N)cc2)C12CCC2 ZINC000459775549 395666793 /nfs/dbraw/zinc/66/67/93/395666793.db2.gz VBNQFGGUNVNVGY-HUUCEWRRSA-N 0 3 299.374 2.044 20 30 CEEDHN CC(C)[C@H]1CN(CCOc2ccc(C#N)cc2)CCN1C ZINC000488051165 395667818 /nfs/dbraw/zinc/66/78/18/395667818.db2.gz KUDHOXSTZIGEHQ-QGZVFWFLSA-N 0 3 287.407 2.209 20 30 CEEDHN CNC(=O)CC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000488438218 395668284 /nfs/dbraw/zinc/66/82/84/395668284.db2.gz MDXDIUUJFMOBQE-UHFFFAOYSA-N 0 3 285.391 2.215 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)/C=C\c1ccc(C#N)cc1 ZINC000490821024 395669006 /nfs/dbraw/zinc/66/90/06/395669006.db2.gz JAXVLPUDGFYVSF-ZBTGYSDGSA-N 0 3 283.375 2.172 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000491738538 395670651 /nfs/dbraw/zinc/67/06/51/395670651.db2.gz RGFYYVILOCNIFG-ZFWWWQNUSA-N 0 3 262.397 2.312 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N(CCC)[C@@H]1CCN(C)C1)OCC ZINC000648997940 396038205 /nfs/dbraw/zinc/03/82/05/396038205.db2.gz AJZOFXUGZVGHMF-HUUCEWRRSA-N 0 3 282.428 2.300 20 30 CEEDHN C=CCOc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1 ZINC000646921038 396390927 /nfs/dbraw/zinc/39/09/27/396390927.db2.gz YYDXSFCVYHHRSE-ZBFHGGJFSA-N 0 3 286.375 2.028 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCO[C@H]2C(C)C)CC1 ZINC000345937341 400369930 /nfs/dbraw/zinc/36/99/30/400369930.db2.gz OZHHJFFMPSIKMV-HOTGVXAUSA-N 0 3 294.439 2.204 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000651251406 401303937 /nfs/dbraw/zinc/30/39/37/401303937.db2.gz XPCAZMUFDLMJNT-YUSLTOFOSA-N 0 3 289.379 2.468 20 30 CEEDHN C[C@H](C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)c1cccc(C#N)c1 ZINC000360276767 155259823 /nfs/dbraw/zinc/25/98/23/155259823.db2.gz KFXUNMGLSOVVBU-JKIFEVAISA-N 0 3 299.418 2.460 20 30 CEEDHN C[C@H](C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)c1cccc(C#N)c1 ZINC000360276766 155261110 /nfs/dbraw/zinc/26/11/10/155261110.db2.gz KFXUNMGLSOVVBU-GRDNDAEWSA-N 0 3 299.418 2.460 20 30 CEEDHN CN(C)CCOc1cccc(NC(=O)c2cc(C#N)c[nH]2)c1 ZINC000360433595 155297376 /nfs/dbraw/zinc/29/73/76/155297376.db2.gz MDGOANVRQYBEKW-UHFFFAOYSA-N 0 3 298.346 2.079 20 30 CEEDHN CC[C@@]1(CO)CCCN1Cc1cc(C#N)cs1 ZINC000191957627 153195300 /nfs/dbraw/zinc/19/53/00/153195300.db2.gz BQTAIZSTGMVYHF-ZDUSSCGKSA-N 0 3 250.367 2.357 20 30 CEEDHN C[C@H](O)C[C@@H]1CCCN1Cc1cccc(C#N)c1F ZINC000223567031 153315816 /nfs/dbraw/zinc/31/58/16/153315816.db2.gz KAZBTGGWHUZICT-FZMZJTMJSA-N 0 3 262.328 2.433 20 30 CEEDHN CCc1nnc(N[C@H]2CCN(C)[C@@H](C)C2)c(C#N)c1CC ZINC000226702392 153339693 /nfs/dbraw/zinc/33/96/93/153339693.db2.gz QJBVPSQMFPPHKW-RYUDHWBXSA-N 0 3 287.411 2.368 20 30 CEEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)C1(S(C)(=O)=O)CC1 ZINC000348970478 154305131 /nfs/dbraw/zinc/30/51/31/154305131.db2.gz WOGYAEPOJATMEP-NWDGAFQWSA-N 0 3 292.404 2.175 20 30 CEEDHN COc1ccc(CNCc2cc(C#N)n(C)c2)c(F)c1 ZINC000359722451 155123505 /nfs/dbraw/zinc/12/35/05/155123505.db2.gz PFEKXVTVINLULA-UHFFFAOYSA-N 0 3 273.311 2.334 20 30 CEEDHN C[C@@H]1CN2CCCC[C@H]2CN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000363634378 156036425 /nfs/dbraw/zinc/03/64/25/156036425.db2.gz CWJRLIYKFSGGNK-FHLIZLRMSA-N 0 3 299.418 2.150 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1ccncc1C#N ZINC000364349113 156065541 /nfs/dbraw/zinc/06/55/41/156065541.db2.gz WKZWMYSGWQXLMS-RDTXWAMCSA-N 0 3 292.386 2.308 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2C2CC2)cc1F ZINC000364783498 156067810 /nfs/dbraw/zinc/06/78/10/156067810.db2.gz KHYNPPQFKPOCFC-CABCVRRESA-N 0 3 260.312 2.354 20 30 CEEDHN CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1cccc(C#N)c1 ZINC000368398712 156338774 /nfs/dbraw/zinc/33/87/74/156338774.db2.gz UTTVOIRIEGBOQR-XYPWUTKMSA-N 0 3 256.349 2.436 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CCCO[C@H]3CCC[C@H]32)cc1 ZINC000368451571 156346443 /nfs/dbraw/zinc/34/64/43/156346443.db2.gz TUGHFMSVSUWBSU-ZACQAIPSSA-N 0 3 286.375 2.235 20 30 CEEDHN CN(C)CC1(NC(=O)c2ccc(Cl)c(C#N)c2)CCC1 ZINC000545252993 298333696 /nfs/dbraw/zinc/33/36/96/298333696.db2.gz UETWUCJDSALEBQ-UHFFFAOYSA-N 0 3 291.782 2.426 20 30 CEEDHN Cc1nn(C)cc1[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000181155052 165332069 /nfs/dbraw/zinc/33/20/69/165332069.db2.gz KLDJXPWKIPJCBO-LBPRGKRZSA-N 0 3 284.363 2.330 20 30 CEEDHN C=CCOc1ccc(CNCCNC(=O)C(C)C)cc1 ZINC000020125436 171008617 /nfs/dbraw/zinc/00/86/17/171008617.db2.gz LPUFVZFGKNSJGJ-UHFFFAOYSA-N 0 3 276.380 2.113 20 30 CEEDHN CCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000021025558 171291219 /nfs/dbraw/zinc/29/12/19/171291219.db2.gz HNUNMJSQAQTGPN-ZDUSSCGKSA-N 0 3 274.324 2.363 20 30 CEEDHN C[C@H](NC[C@@H]1CCCO1)c1ccc(OCC#N)cc1 ZINC000037215123 173035215 /nfs/dbraw/zinc/03/52/15/173035215.db2.gz FWRBFDARFQFBHD-WFASDCNBSA-N 0 3 260.337 2.419 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)NCC#Cc1ccccc1 ZINC000660294923 414756917 /nfs/dbraw/zinc/75/69/17/414756917.db2.gz JHOBMTZFZFFZBD-MRXNPFEDSA-N 0 3 299.418 2.210 20 30 CEEDHN C=CCCN(C)[C@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000660400378 414805859 /nfs/dbraw/zinc/80/58/59/414805859.db2.gz MYQFOKWGXPPVAE-INIZCTEOSA-N 0 3 288.391 2.304 20 30 CEEDHN C=CCN1CC[C@@H](N(C)CCCC2CCC2)C1=O ZINC000660463607 414836034 /nfs/dbraw/zinc/83/60/34/414836034.db2.gz GAFGBZBZERCMEU-CQSZACIVSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCCn1cc(CNC[C@H](C)N2CCC[C@@H](C)C2)nn1 ZINC000657310557 414853143 /nfs/dbraw/zinc/85/31/43/414853143.db2.gz MWUPYOUDMOXDSG-CABCVRRESA-N 0 3 291.443 2.064 20 30 CEEDHN C=CCCn1cc(CN[C@H]2CCOC3(CCC3)C2)nn1 ZINC000657401669 414915070 /nfs/dbraw/zinc/91/50/70/414915070.db2.gz FSWMNAGAUYJPMK-ZDUSSCGKSA-N 0 3 276.384 2.046 20 30 CEEDHN C=C(C)[C@H](CC(=O)N[C@H]1CCCN2CCCC[C@@H]12)OCC ZINC000654313132 414900007 /nfs/dbraw/zinc/90/00/07/414900007.db2.gz VOULXGYKOKZIKR-JYJNAYRXSA-N 0 3 294.439 2.491 20 30 CEEDHN C=CCOc1ccccc1CNC[C@@H](OC)[C@H]1CCOC1 ZINC000657546232 414994519 /nfs/dbraw/zinc/99/45/19/414994519.db2.gz ZRZQMTZQIILKPF-DOTOQJQBSA-N 0 3 291.391 2.393 20 30 CEEDHN C=CCOc1cccc(CNC[C@@H](OC)[C@@H]2CCOC2)c1 ZINC000657543863 414995104 /nfs/dbraw/zinc/99/51/04/414995104.db2.gz NFKKCWZFMUJJBO-NVXWUHKLSA-N 0 3 291.391 2.393 20 30 CEEDHN C=CCCn1cc(CNCC2(COC)CCCC2)nn1 ZINC000657484021 414964884 /nfs/dbraw/zinc/96/48/84/414964884.db2.gz INRMBPPCLHPGOP-UHFFFAOYSA-N 0 3 278.400 2.151 20 30 CEEDHN C=CCCn1cc(CN[C@@H]2CCCC23CCOCC3)nn1 ZINC000653661823 415067371 /nfs/dbraw/zinc/06/73/71/415067371.db2.gz FBFLIWRFRVWLJB-OAHLLOKOSA-N 0 3 290.411 2.293 20 30 CEEDHN C=CCCn1cc(CN[C@H](C(C)C)C2(CO)CCC2)nn1 ZINC000653705593 415080307 /nfs/dbraw/zinc/08/03/07/415080307.db2.gz AQKBHJJVCFKNDN-OAHLLOKOSA-N 0 3 292.427 2.131 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)CN1CC[C@@H](C)C1 ZINC000654771012 415028748 /nfs/dbraw/zinc/02/87/48/415028748.db2.gz KYIRZWQNFJCXQB-CQSZACIVSA-N 0 3 288.391 2.209 20 30 CEEDHN C=CCN(Cc1ccc2c(c1)OCCO2)[C@@H](C)COC ZINC000661241563 415155145 /nfs/dbraw/zinc/15/51/45/415155145.db2.gz AWSIWWCDJDAVMT-ZDUSSCGKSA-N 0 3 277.364 2.481 20 30 CEEDHN C=CCCCC[C@H](C)[NH2+]Cc1nnc(COC)[n-]1 ZINC000658156043 415233305 /nfs/dbraw/zinc/23/33/05/415233305.db2.gz GNFDMQOGQRGXJZ-NSHDSACASA-N 0 3 252.362 2.176 20 30 CEEDHN C=CCCN[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000658117303 415221567 /nfs/dbraw/zinc/22/15/67/415221567.db2.gz SVOXDGJGPVUIHQ-NSHDSACASA-N 0 3 283.393 2.325 20 30 CEEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCCCC2)C1 ZINC000661378423 415231080 /nfs/dbraw/zinc/23/10/80/415231080.db2.gz GDWVHRDCSXCUQK-CQSZACIVSA-N 0 3 250.386 2.287 20 30 CEEDHN C=CCCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000661565720 415329502 /nfs/dbraw/zinc/32/95/02/415329502.db2.gz RNTUAPAIPOXZIC-DLBZAZTESA-N 0 3 299.418 2.478 20 30 CEEDHN C=CCN(Cc1ccc(S(=O)(=O)NC)cc1)C(C)(C)C ZINC000661758792 415448007 /nfs/dbraw/zinc/44/80/07/415448007.db2.gz VKLPKMPKKWUFDI-UHFFFAOYSA-N 0 3 296.436 2.381 20 30 CEEDHN CCC#C[C@H](C)N1CCC[C@H](N2CCCC2=O)CC1 ZINC000665253732 415650880 /nfs/dbraw/zinc/65/08/80/415650880.db2.gz HCPDRBWXWBUSRE-GJZGRUSLSA-N 0 3 262.397 2.265 20 30 CEEDHN CS(=O)(=O)[C@@H]1CCC[C@H](NCc2cccc(C#N)c2)C1 ZINC000077456589 177271404 /nfs/dbraw/zinc/27/14/04/177271404.db2.gz RDHQAIZIKCKPGI-LSDHHAIUSA-N 0 3 292.404 2.004 20 30 CEEDHN CCc1noc(-c2ccc(CCNC(=O)C(C)C#N)cc2)n1 ZINC000347127642 226036510 /nfs/dbraw/zinc/03/65/10/226036510.db2.gz FDJCOMNNDLXWQQ-NSHDSACASA-N 0 3 298.346 2.117 20 30 CEEDHN CC(C#N)C(=O)NCCCc1c[nH]c2ccccc12 ZINC000347108641 226053053 /nfs/dbraw/zinc/05/30/53/226053053.db2.gz OMUQCXPBEBPZBZ-LLVKDONJSA-N 0 3 255.321 2.376 20 30 CEEDHN Cc1csc(CCCCNC(=O)C(C)C#N)n1 ZINC000347140308 226056636 /nfs/dbraw/zinc/05/66/36/226056636.db2.gz SNIXSFONGFMREK-VIFPVBQESA-N 0 3 251.355 2.050 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000347035780 226023062 /nfs/dbraw/zinc/02/30/62/226023062.db2.gz LHMQDORVAIPSNX-DOMZBBRYSA-N 0 3 265.316 2.447 20 30 CEEDHN Cc1cc(C)n([C@@H](C)C(=O)NCC2=CCN(C)CC2)n1 ZINC000329183376 227342710 /nfs/dbraw/zinc/34/27/10/227342710.db2.gz FPLJDSBQQPXIQM-ZDUSSCGKSA-N 0 3 276.384 2.279 20 30 CEEDHN Cc1ncoc1C(=O)NC1CC(N2CCCCC2)C1 ZINC000330042446 228025219 /nfs/dbraw/zinc/02/52/19/228025219.db2.gz DSBJUAYDEWWEFV-UHFFFAOYSA-N 0 3 263.341 2.305 20 30 CEEDHN CN(C)Cc1cccc(C(=O)N(C)CC(C)(C)C#N)c1 ZINC000353291040 228080356 /nfs/dbraw/zinc/08/03/56/228080356.db2.gz UNNJUOYHCGKSES-UHFFFAOYSA-N 0 3 273.380 2.370 20 30 CEEDHN C=CCNC(=O)CN[C@H]1CCc2cccc(Cl)c2C1 ZINC000666122338 419547546 /nfs/dbraw/zinc/54/75/46/419547546.db2.gz JRODEJMCPXKTQQ-LBPRGKRZSA-N 0 3 278.783 2.089 20 30 CEEDHN COC[C@](C)(O)CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000453268652 269753563 /nfs/dbraw/zinc/75/35/63/269753563.db2.gz ZULUXSQUCSRQKJ-IAQYHMDHSA-N 0 3 280.343 2.135 20 30 CEEDHN C#Cc1ccc(CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1 ZINC000297653475 260131107 /nfs/dbraw/zinc/13/11/07/260131107.db2.gz NXZYZNBIRQGFJN-RHSMWYFYSA-N 0 3 299.418 2.150 20 30 CEEDHN C=CCN(CCc1ccco1)CCc1cncn1C ZINC000298275546 260149627 /nfs/dbraw/zinc/14/96/27/260149627.db2.gz GRLPHRFWXDIJSS-UHFFFAOYSA-N 0 3 259.353 2.286 20 30 CEEDHN C=C[C@H](CO)Nc1ccnc2cc(OC)c(OC)cc21 ZINC000299005754 260169896 /nfs/dbraw/zinc/16/98/96/260169896.db2.gz SCQRDDXZOINNRP-SNVBAGLBSA-N 0 3 274.320 2.211 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000448783620 261089604 /nfs/dbraw/zinc/08/96/04/261089604.db2.gz UOQIDWCIWGLOLX-OLZOCXBDSA-N 0 3 252.402 2.435 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000490590912 261164589 /nfs/dbraw/zinc/16/45/89/261164589.db2.gz ZFEOAYAQMXISNC-CABCVRRESA-N 0 3 276.424 2.274 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@H](C(C)(C)C)C1 ZINC000361552933 261332101 /nfs/dbraw/zinc/33/21/01/261332101.db2.gz NMBYTDQXZOXYDB-OLZOCXBDSA-N 0 3 252.402 2.435 20 30 CEEDHN CC[C@@H](CC#N)NC1CCN(Cc2ccccn2)CC1 ZINC000184092214 262008496 /nfs/dbraw/zinc/00/84/96/262008496.db2.gz JGYWXGCGUJBFPN-AWEZNQCLSA-N 0 3 272.396 2.328 20 30 CEEDHN N#CCC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000184929517 262033990 /nfs/dbraw/zinc/03/39/90/262033990.db2.gz HEHSRQKITRJPEK-UHFFFAOYSA-N 0 3 287.363 2.403 20 30 CEEDHN CC#CCCN1CCC(C(=O)Nc2cc(C)ccn2)CC1 ZINC000364021546 262103937 /nfs/dbraw/zinc/10/39/37/262103937.db2.gz FFAOSDIMSMCIMR-UHFFFAOYSA-N 0 3 285.391 2.454 20 30 CEEDHN CC#CCCN1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000364045955 262119592 /nfs/dbraw/zinc/11/95/92/262119592.db2.gz ORPCAAKATSLALV-OAHLLOKOSA-N 0 3 274.408 2.124 20 30 CEEDHN N#CCCCCN1CCCN(C(=O)c2ccoc2)CC1 ZINC000364137948 262155281 /nfs/dbraw/zinc/15/52/81/262155281.db2.gz ZKCOISRRUVICRZ-UHFFFAOYSA-N 0 3 275.352 2.121 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NCc2cccnc2-n2ccnc2)C1 ZINC000192654449 262207020 /nfs/dbraw/zinc/20/70/20/262207020.db2.gz AHEPBTJTFNSTHQ-UKRRQHHQSA-N 0 3 281.363 2.439 20 30 CEEDHN CC[C@H]1[C@@H](C)CCN1CC(=O)NC1(C#N)CCCCC1 ZINC000185622626 262306494 /nfs/dbraw/zinc/30/64/94/262306494.db2.gz XZFFFLMHSFZXNB-KBPBESRZSA-N 0 3 277.412 2.449 20 30 CEEDHN C#CCCN1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC000365402126 262364417 /nfs/dbraw/zinc/36/44/17/262364417.db2.gz CQLXASIMZKJQIK-KBPBESRZSA-N 0 3 278.396 2.341 20 30 CEEDHN C#CCOc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000163217770 262393790 /nfs/dbraw/zinc/39/37/90/262393790.db2.gz LIVWWQYGTIOGFI-INIZCTEOSA-N 0 3 298.386 2.009 20 30 CEEDHN C#CCOc1ccc(CN2CC([C@@H]3CCOC3)C2)cc1 ZINC000366249902 262592167 /nfs/dbraw/zinc/59/21/67/262592167.db2.gz KPUDUYUIVIDNRO-OAHLLOKOSA-N 0 3 271.360 2.167 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](CC2CC2)C1 ZINC000339678400 262661523 /nfs/dbraw/zinc/66/15/23/262661523.db2.gz NERMUTDMHWHYGW-OAHLLOKOSA-N 0 3 262.397 2.309 20 30 CEEDHN C=CC[C@H](Cc1ccccc1)N[C@H]1CCCS(=O)(=O)C1 ZINC000414310010 262840553 /nfs/dbraw/zinc/84/05/53/262840553.db2.gz VOVIBBDGDPSWOI-CVEARBPZSA-N 0 3 293.432 2.341 20 30 CEEDHN CC1(C#N)CCN([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000272512393 263005744 /nfs/dbraw/zinc/00/57/44/263005744.db2.gz GGARYMOCAYASHV-CABCVRRESA-N 0 3 256.349 2.270 20 30 CEEDHN COC(=O)COc1ccccc1[C@H](C)NCCCC#N ZINC000273291593 263015028 /nfs/dbraw/zinc/01/50/28/263015028.db2.gz SHSDHYHZAMKWDD-LBPRGKRZSA-N 0 3 276.336 2.193 20 30 CEEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1cn[nH]c1 ZINC000274050478 263021181 /nfs/dbraw/zinc/02/11/81/263021181.db2.gz OBSZKFKZIHTLAK-LLVKDONJSA-N 0 3 286.335 2.020 20 30 CEEDHN COCC1=CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000274963988 263031768 /nfs/dbraw/zinc/03/17/68/263031768.db2.gz JJDRSFNERMPABF-UHFFFAOYSA-N 0 3 272.348 2.367 20 30 CEEDHN CNC(=O)c1ccc(CN(C)[C@H](C)CCC#N)cc1 ZINC000276319195 263036197 /nfs/dbraw/zinc/03/61/97/263036197.db2.gz OFIVXHFSSWBDQA-GFCCVEGCSA-N 0 3 259.353 2.170 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)C1 ZINC000425857795 263036715 /nfs/dbraw/zinc/03/67/15/263036715.db2.gz HCNUXFQKAIUTBC-UONOGXRCSA-N 0 3 292.427 2.100 20 30 CEEDHN CC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279173397 263053364 /nfs/dbraw/zinc/05/33/64/263053364.db2.gz DDADLQWSYSKYQT-RISCZKNCSA-N 0 3 255.321 2.155 20 30 CEEDHN CC(C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279365314 263055020 /nfs/dbraw/zinc/05/50/20/263055020.db2.gz KYIDWDQFMIACAJ-OAHLLOKOSA-N 0 3 269.348 2.403 20 30 CEEDHN C[C@]1(O)CCCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000280139028 263059131 /nfs/dbraw/zinc/05/91/31/263059131.db2.gz QYYDOHXATNXLST-INIZCTEOSA-N 0 3 274.364 2.326 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCSCC2)cc1 ZINC000280596487 263063262 /nfs/dbraw/zinc/06/32/62/263063262.db2.gz FLFAZURVWNFEEK-HNNXBMFYSA-N 0 3 299.399 2.206 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CC(F)(F)C2)cc1 ZINC000281238441 263067558 /nfs/dbraw/zinc/06/75/58/263067558.db2.gz OYTSLIYDLGCRFC-LBPRGKRZSA-N 0 3 289.285 2.154 20 30 CEEDHN N#CCCCN[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000282481830 263077072 /nfs/dbraw/zinc/07/70/72/263077072.db2.gz MLAPLSLASZUXNN-MRXNPFEDSA-N 0 3 281.359 2.483 20 30 CEEDHN N#CCN(C[C@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000283969397 263085354 /nfs/dbraw/zinc/08/53/54/263085354.db2.gz FGHGBWOGHHVBRM-GOSISDBHSA-N 0 3 299.418 2.265 20 30 CEEDHN C=CCC(C)(C)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000340270252 263103666 /nfs/dbraw/zinc/10/36/66/263103666.db2.gz FPSQJUFZVANMSD-UHFFFAOYSA-N 0 3 282.428 2.158 20 30 CEEDHN CN(C)C[C@@H](NC(=O)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000290357702 263116264 /nfs/dbraw/zinc/11/62/64/263116264.db2.gz GJLRGYDLWDXXHT-CQSZACIVSA-N 0 3 291.370 2.484 20 30 CEEDHN CCCN(CC#N)C(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291367917 263121720 /nfs/dbraw/zinc/12/17/20/263121720.db2.gz ADYXZDMAFMRVGW-ZIAGYGMSSA-N 0 3 286.331 2.053 20 30 CEEDHN COCCN(CCOCCC#N)CCc1ccccc1 ZINC000293063092 263137604 /nfs/dbraw/zinc/13/76/04/263137604.db2.gz LFHIMGVZQMPFJM-UHFFFAOYSA-N 0 3 276.380 2.108 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](CC(N)=O)c2ccccc2)C1 ZINC000293705249 263147539 /nfs/dbraw/zinc/14/75/39/263147539.db2.gz RYAQDQHPLFDCKB-YUELXQCFSA-N 0 3 271.364 2.275 20 30 CEEDHN CCC[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)OC ZINC000295434482 263177369 /nfs/dbraw/zinc/17/73/69/263177369.db2.gz NTHBMWKZVVYMGE-HOTGVXAUSA-N 0 3 299.374 2.172 20 30 CEEDHN C=CCOc1ccc(CN[C@@H]2CNCCC2(F)F)cc1 ZINC000415007523 263222883 /nfs/dbraw/zinc/22/28/83/263222883.db2.gz UXKMXIZOGIFGPY-CQSZACIVSA-N 0 3 282.334 2.338 20 30 CEEDHN C[C@@H](C#N)CN(C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000298672170 263223471 /nfs/dbraw/zinc/22/34/71/263223471.db2.gz JONGUWPWCKQZIS-ZDUSSCGKSA-N 0 3 288.395 2.049 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000340974442 263316904 /nfs/dbraw/zinc/31/69/04/263316904.db2.gz QVGUOYSEZRESGH-DDTOSNHZSA-N 0 3 291.782 2.361 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cnc(-c2ccccn2)s1 ZINC000341304106 263333164 /nfs/dbraw/zinc/33/31/64/263333164.db2.gz SVKQLASILLSTJQ-GFCCVEGCSA-N 0 3 289.404 2.479 20 30 CEEDHN C=C[C@H](C)NC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000341515445 263340678 /nfs/dbraw/zinc/34/06/78/263340678.db2.gz VWUBVPHVYJZKIU-KBPBESRZSA-N 0 3 275.396 2.381 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000341519139 263340790 /nfs/dbraw/zinc/34/07/90/263340790.db2.gz MWWWOHYBBBMSEF-IHRRRGAJSA-N 0 3 267.417 2.465 20 30 CEEDHN CCN1CCN(C(=O)C(C#N)CCc2ccccc2)[C@H](C)C1 ZINC000341796040 263349743 /nfs/dbraw/zinc/34/97/43/263349743.db2.gz HIZLKQHRYONAES-NVXWUHKLSA-N 0 3 299.418 2.312 20 30 CEEDHN C=CC[C@@H](CO)CN[C@H](C)c1nc2ccccc2n1C ZINC000341891093 263364347 /nfs/dbraw/zinc/36/43/47/263364347.db2.gz UZYQHFWUVGVBDN-CHWSQXEVSA-N 0 3 273.380 2.409 20 30 CEEDHN C=CCC(C)(C)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000341913057 263366031 /nfs/dbraw/zinc/36/60/31/263366031.db2.gz WVHDZSWHXKYJSP-AWEZNQCLSA-N 0 3 270.442 2.142 20 30 CEEDHN CC#CCCCC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000342045067 263382884 /nfs/dbraw/zinc/38/28/84/263382884.db2.gz XEVISSKHQOXKRI-OAHLLOKOSA-N 0 3 262.397 2.267 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000342177577 263393504 /nfs/dbraw/zinc/39/35/04/263393504.db2.gz IZKQEQRWDGACQJ-AWEZNQCLSA-N 0 3 267.417 2.324 20 30 CEEDHN COc1cc2c(cc1F)CC[C@H]2NC(=O)C(C)C#N ZINC000334430713 263623560 /nfs/dbraw/zinc/62/35/60/263623560.db2.gz JSMXNJLSLASPKA-PRHODGIISA-N 0 3 262.284 2.097 20 30 CEEDHN COc1cnc(NC(=O)N[C@H](C)C2=CCN(C)CC2)s1 ZINC000330728584 264035750 /nfs/dbraw/zinc/03/57/50/264035750.db2.gz NGKFEAHARCHHPU-SECBINFHSA-N 0 3 296.396 2.128 20 30 CEEDHN CCc1nc(C(=O)NC2CCN(C(C)C)CC2)co1 ZINC000330819677 264047333 /nfs/dbraw/zinc/04/73/33/264047333.db2.gz GYFPTMBVZBQOAJ-UHFFFAOYSA-N 0 3 265.357 2.414 20 30 CEEDHN CCc1nc(C)c(NC(=O)NC[C@H](C)N(C)C)s1 ZINC000331212130 264163603 /nfs/dbraw/zinc/16/36/03/264163603.db2.gz ZJNDSYQDUNNHSL-QMMMGPOBSA-N 0 3 270.402 2.290 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC2(C1)CCCCC2 ZINC000129936040 264332887 /nfs/dbraw/zinc/33/28/87/264332887.db2.gz GMAKJGCIPFZZJX-ZDUSSCGKSA-N 0 3 250.386 2.333 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425468414 264341730 /nfs/dbraw/zinc/34/17/30/264341730.db2.gz DNSFNTJYOSGLDS-CBBWQLFWSA-N 0 3 292.427 2.098 20 30 CEEDHN CCC(O)(CC)CCNCc1cnc2ccc(C#N)cn12 ZINC000471826422 269986654 /nfs/dbraw/zinc/98/66/54/269986654.db2.gz NBRMXXVZHIGVHO-UHFFFAOYSA-N 0 3 286.379 2.237 20 30 CEEDHN CC[C@H](CC#N)NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000132329583 264387474 /nfs/dbraw/zinc/38/74/74/264387474.db2.gz JRUZPRDYTDLRTG-QNWHQSFQSA-N 0 3 251.374 2.056 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@@H](O)CC2)cc1 ZINC000294090835 265007353 /nfs/dbraw/zinc/00/73/53/265007353.db2.gz RKWFNQIGOZTRMS-OAHLLOKOSA-N 0 3 259.349 2.045 20 30 CEEDHN CN1CC[C@@H]2CN(C(=O)c3ccc(C4(C#N)CC4)cc3)C[C@@H]21 ZINC000334898316 265078706 /nfs/dbraw/zinc/07/87/06/265078706.db2.gz OJKZZOSDLQTIBA-ZBFHGGJFSA-N 0 3 295.386 2.018 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000345754357 265096877 /nfs/dbraw/zinc/09/68/77/265096877.db2.gz QYWVBVLXMJIEGB-QWHCGFSZSA-N 0 3 253.390 2.077 20 30 CEEDHN CC1CCN(CCNc2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000167496249 265990187 /nfs/dbraw/zinc/99/01/87/265990187.db2.gz OIPRZOBGMIEHNY-UHFFFAOYSA-N 0 3 289.339 2.005 20 30 CEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000357414216 266292635 /nfs/dbraw/zinc/29/26/35/266292635.db2.gz MCMULMNQXNTYEI-UKRRQHHQSA-N 0 3 288.391 2.464 20 30 CEEDHN C=CCN(C(=O)NC[C@H](C)N1CCC(C)CC1)C1CC1 ZINC000357564181 266326969 /nfs/dbraw/zinc/32/69/69/266326969.db2.gz AYXOLPONZLDYHW-AWEZNQCLSA-N 0 3 279.428 2.467 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000357791106 266363347 /nfs/dbraw/zinc/36/33/47/266363347.db2.gz FTMDKBSXACDLTI-DOMZBBRYSA-N 0 3 265.316 2.447 20 30 CEEDHN CC(C)[C@@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000446727955 266943981 /nfs/dbraw/zinc/94/39/81/266943981.db2.gz YOXZTPGBIQVXKN-MRXNPFEDSA-N 0 3 285.391 2.152 20 30 CEEDHN C=CCN(CC)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000362934422 267063465 /nfs/dbraw/zinc/06/34/65/267063465.db2.gz YYBVLOPJSZAQJF-UHFFFAOYSA-N 0 3 280.412 2.056 20 30 CEEDHN C=CCNC(=O)CN1C[C@H](c2cccs2)C[C@H]1C ZINC000363258736 267082185 /nfs/dbraw/zinc/08/21/85/267082185.db2.gz INMOZVZYCCJTAN-VXGBXAGGSA-N 0 3 264.394 2.228 20 30 CEEDHN CCOC(=O)COCCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425543132 267117562 /nfs/dbraw/zinc/11/75/62/267117562.db2.gz ZDBQTQKGWJVFKI-ZDUSSCGKSA-N 0 3 290.363 2.131 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368065317 267143827 /nfs/dbraw/zinc/14/38/27/267143827.db2.gz SQAMOFSEAMNFTO-CABCVRRESA-N 0 3 297.402 2.056 20 30 CEEDHN CC[C@@H](C)N[C@H](CNc1cncc(C#N)n1)c1ccco1 ZINC000420628752 267186881 /nfs/dbraw/zinc/18/68/81/267186881.db2.gz PZRYTZAFDCJOLI-DGCLKSJQSA-N 0 3 285.351 2.483 20 30 CEEDHN CC[C@@H](NC[C@@H]1COCCO1)c1ccc(C#N)cc1 ZINC000447529355 267194476 /nfs/dbraw/zinc/19/44/76/267194476.db2.gz LTVYYIANGCYESM-HUUCEWRRSA-N 0 3 260.337 2.014 20 30 CEEDHN CC[C@H](C)N[C@H](CNc1cncc(C#N)n1)c1ccco1 ZINC000420628753 267204943 /nfs/dbraw/zinc/20/49/43/267204943.db2.gz PZRYTZAFDCJOLI-WCQYABFASA-N 0 3 285.351 2.483 20 30 CEEDHN CC[C@H](CO)N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000451156606 267212736 /nfs/dbraw/zinc/21/27/36/267212736.db2.gz SJTLYYGTOBXLAD-GFCCVEGCSA-N 0 3 284.306 2.362 20 30 CEEDHN C#CC[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000369753973 267263002 /nfs/dbraw/zinc/26/30/02/267263002.db2.gz UAWCOMIPQVMBPE-OAHLLOKOSA-N 0 3 299.418 2.362 20 30 CEEDHN CN(C)C[C@@H]1CCCN1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000491479026 267282690 /nfs/dbraw/zinc/28/26/90/267282690.db2.gz OORGABATROYRAI-YDZSZYSISA-N 0 3 283.375 2.124 20 30 CEEDHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000521574424 267282763 /nfs/dbraw/zinc/28/27/63/267282763.db2.gz VONIOPKRBJVEEP-ZDUSSCGKSA-N 0 3 291.782 2.378 20 30 CEEDHN CN(C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CC1(C)C ZINC000489445621 267308666 /nfs/dbraw/zinc/30/86/66/267308666.db2.gz MGSOGTAIJMVDNW-ZFWWWQNUSA-N 0 3 274.364 2.028 20 30 CEEDHN CN(Cc1ccc2c(c1)nnn2C)Cc1cccc(C#N)c1 ZINC000507188891 267317042 /nfs/dbraw/zinc/31/70/42/267317042.db2.gz HCNRZOMJTDDEBN-UHFFFAOYSA-N 0 3 291.358 2.472 20 30 CEEDHN C=CCOCCCC(=O)N1CCCC12CCN(C)CC2 ZINC000371360143 267395640 /nfs/dbraw/zinc/39/56/40/267395640.db2.gz CCALBTBRBLLWLG-UHFFFAOYSA-N 0 3 280.412 2.056 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc3c2OCCC3)CC1 ZINC000371999161 267492554 /nfs/dbraw/zinc/49/25/54/267492554.db2.gz QJEWRSJHSZEXEJ-UHFFFAOYSA-N 0 3 298.386 2.295 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H]1C[C@H](OC)C1(C)C ZINC000451510182 267563289 /nfs/dbraw/zinc/56/32/89/267563289.db2.gz VFTRKDDRVQRQLP-CABCVRRESA-N 0 3 274.364 2.470 20 30 CEEDHN C[C@H](NCCCC#N)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000376835237 268022401 /nfs/dbraw/zinc/02/24/01/268022401.db2.gz BVRAZFYBHCPIRY-RDJZCZTQSA-N 0 3 287.407 2.169 20 30 CEEDHN CN1CC=C(CNc2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000392790241 270341406 /nfs/dbraw/zinc/34/14/06/270341406.db2.gz LROTZLKSMVZMLB-UHFFFAOYSA-N 0 3 272.308 2.140 20 30 CEEDHN CC(C)[C@H]1CN(c2ncc3c(c2C#N)CCC3)CCN1C ZINC000425260348 271149252 /nfs/dbraw/zinc/14/92/52/271149252.db2.gz ONXQDYRSDZAPCI-MRXNPFEDSA-N 0 3 284.407 2.218 20 30 CEEDHN Cn1cc(CN[C@H]2CCN(c3ccccc3)C2)cc1C#N ZINC000364572472 274892374 /nfs/dbraw/zinc/89/23/74/274892374.db2.gz CGTBUXVCDPTULG-HNNXBMFYSA-N 0 3 280.375 2.265 20 30 CEEDHN C=CCN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000192150156 275432017 /nfs/dbraw/zinc/43/20/17/275432017.db2.gz RCRDVFLNBPKPBH-OCCSQVGLSA-N 0 3 264.756 2.387 20 30 CEEDHN CN1CCC[C@@]2(CCN(c3nc4c(cc3C#N)CCC4)C2)C1 ZINC000292901047 277072794 /nfs/dbraw/zinc/07/27/94/277072794.db2.gz WUBHSQQGKVYREZ-GOSISDBHSA-N 0 3 296.418 2.364 20 30 CEEDHN CC(C)N1C[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1=O ZINC000329883143 277631514 /nfs/dbraw/zinc/63/15/14/277631514.db2.gz QTUFSVAQCRCEHE-KGLIPLIRSA-N 0 3 295.427 2.217 20 30 CEEDHN C#CCCNC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000264994565 277673996 /nfs/dbraw/zinc/67/39/96/277673996.db2.gz XRBUARPLWYKVRR-MRXNPFEDSA-N 0 3 287.407 2.392 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)CC)C(C)C ZINC000101791161 277850197 /nfs/dbraw/zinc/85/01/97/277850197.db2.gz NRUQKGVPCGVABH-CQSZACIVSA-N 0 3 267.417 2.346 20 30 CEEDHN C=C[C@@H](CO)NC/C(C)=C\c1ccccc1COC ZINC000353577081 277898392 /nfs/dbraw/zinc/89/83/92/277898392.db2.gz RLKYPEYFVUCIMI-OVHOFWQVSA-N 0 3 261.365 2.373 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000355784222 279224545 /nfs/dbraw/zinc/22/45/45/279224545.db2.gz IMKUBCZPCNETTG-KBUPBQIOSA-N 0 3 279.428 2.361 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC000329846092 279295872 /nfs/dbraw/zinc/29/58/72/279295872.db2.gz QQAOUJUZTIDGBR-BXUZGUMPSA-N 0 3 267.373 2.184 20 30 CEEDHN N#Cc1ccc([C@H](NC2CCC(F)(F)CC2)C(N)=O)cc1 ZINC000341253880 279527585 /nfs/dbraw/zinc/52/75/85/279527585.db2.gz DDSNTGQOLAJEGC-ZDUSSCGKSA-N 0 3 293.317 2.252 20 30 CEEDHN CC[C@@H](O)CN1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000174070569 280208295 /nfs/dbraw/zinc/20/82/95/280208295.db2.gz USKPCHFWACUOMK-WMLDXEAASA-N 0 3 287.407 2.008 20 30 CEEDHN Cc1c(Cl)cnc(N2CC[C@@H]3CCN(C)[C@@H]3C2)c1C#N ZINC000364630842 280234767 /nfs/dbraw/zinc/23/47/67/280234767.db2.gz GQMWLZZWYNUPJT-SMDDNHRTSA-N 0 3 290.798 2.446 20 30 CEEDHN CN(Cc1ccc(F)c(C#N)c1)C[C@@H]1CCC[C@H]1O ZINC000246236750 280282406 /nfs/dbraw/zinc/28/24/06/280282406.db2.gz GBGOHSGKFOEAQO-SWLSCSKDSA-N 0 3 262.328 2.290 20 30 CEEDHN CC[C@@H]1CCC[C@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000348156531 280309923 /nfs/dbraw/zinc/30/99/23/280309923.db2.gz DFMQHIZXRINCCU-YUELXQCFSA-N 0 3 271.364 2.253 20 30 CEEDHN CN1CC[C@@]2(CCN(C(=O)[C@@]3(C#N)CC34CCCC4)C2)C1 ZINC000334633394 290186293 /nfs/dbraw/zinc/18/62/93/290186293.db2.gz FPSKNXCBPFFLGG-WBVHZDCISA-N 0 3 287.407 2.015 20 30 CEEDHN CN1CC[C@H]2CCN(c3ccc(F)cc3C#N)[C@@H]2C1 ZINC000272149771 290234384 /nfs/dbraw/zinc/23/43/84/290234384.db2.gz CZUZFCHOBBVPMT-XHDPSFHLSA-N 0 3 259.328 2.228 20 30 CEEDHN CC(C)(C)OCCNCc1cnc2ccc(C#N)cn12 ZINC000538396512 298227901 /nfs/dbraw/zinc/22/79/01/298227901.db2.gz YORATFLEDNGEDQ-UHFFFAOYSA-N 0 3 272.352 2.111 20 30 CEEDHN CCO[C@@H]1C[C@H](NCc2cc(C#N)cs2)[C@]12CCCO2 ZINC000544708921 298327045 /nfs/dbraw/zinc/32/70/45/298327045.db2.gz MNDOPDXTXWGZSH-RRFJBIMHSA-N 0 3 292.404 2.436 20 30 CEEDHN C=CCN(CC=C)C(=O)NCCN(C)CCCC ZINC000352733330 527619623 /nfs/dbraw/zinc/61/96/23/527619623.db2.gz ZQUNHWTVTRAXDI-UHFFFAOYSA-N 0 3 253.390 2.102 20 30 CEEDHN CC1(C)[C@H](NCC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000570939234 327637290 /nfs/dbraw/zinc/63/72/90/327637290.db2.gz FYKUAHUIUOZDRD-KGLIPLIRSA-N 0 3 263.768 2.441 20 30 CEEDHN N#Cc1ccc(CNCCC(=O)Nc2ccccn2)s1 ZINC000540809075 313417065 /nfs/dbraw/zinc/41/70/65/313417065.db2.gz SBPIWZXPJUCBBJ-UHFFFAOYSA-N 0 3 286.360 2.133 20 30 CEEDHN N#Cc1cccc(OCCN2CC[C@H](O)CC23CCC3)c1 ZINC000570705834 314054149 /nfs/dbraw/zinc/05/41/49/314054149.db2.gz CSLSKPLWABESCQ-HNNXBMFYSA-N 0 3 286.375 2.316 20 30 CEEDHN CN(Cc1ccc(C#N)cn1)[C@H](CO)CC(C)(C)C ZINC000574171045 314194521 /nfs/dbraw/zinc/19/45/21/314194521.db2.gz VAJJLMJSWHNHLV-AWEZNQCLSA-N 0 3 261.369 2.182 20 30 CEEDHN C[C@H]1C[C@H](NCc2cn(C)nc2-c2ccc(C#N)cc2)CO1 ZINC000577220465 314353966 /nfs/dbraw/zinc/35/39/66/314353966.db2.gz HSMPCSYYHMVLLJ-LRDDRELGSA-N 0 3 296.374 2.226 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(Br)cc1C ZINC000289898855 327978465 /nfs/dbraw/zinc/97/84/65/327978465.db2.gz QXLWMPYYUZCSSB-GFCCVEGCSA-N 0 3 270.170 2.394 20 30 CEEDHN C=CCOc1ccc(CN[C@H](C)CC[S@@](C)=O)cc1 ZINC000125476972 327997393 /nfs/dbraw/zinc/99/73/93/327997393.db2.gz IVFAQOQHBAZLEK-YJYMSZOUSA-N 0 3 281.421 2.498 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)CC(C)(C)C ZINC000339250928 328003529 /nfs/dbraw/zinc/00/35/29/328003529.db2.gz NWRYWADIECATJW-AWEZNQCLSA-N 0 3 253.390 2.019 20 30 CEEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C)CS(C)(=O)=O ZINC000414306150 328154132 /nfs/dbraw/zinc/15/41/32/328154132.db2.gz QSKGJIYFKGPEMR-HIFRSBDPSA-N 0 3 281.421 2.197 20 30 CEEDHN CC[C@@H](NCC(=O)N(CCC#N)CCC#N)c1ccccc1 ZINC000271619376 328196924 /nfs/dbraw/zinc/19/69/24/328196924.db2.gz CXPHFHQTDCTHKF-MRXNPFEDSA-N 0 3 298.390 2.383 20 30 CEEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H](CO)COC)cc1 ZINC000281285476 328498500 /nfs/dbraw/zinc/49/85/00/328498500.db2.gz XTTJOWXCOLAXFJ-GXTWGEPZSA-N 0 3 299.798 2.476 20 30 CEEDHN N#CCCC1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000399472425 326798885 /nfs/dbraw/zinc/79/88/85/326798885.db2.gz VRCNEJZBHFEXAY-LLVKDONJSA-N 0 3 264.291 2.315 20 30 CEEDHN N#CCCC1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000399472426 326798891 /nfs/dbraw/zinc/79/88/91/326798891.db2.gz VRCNEJZBHFEXAY-NSHDSACASA-N 0 3 264.291 2.315 20 30 CEEDHN CN(Cc1cc(F)c(F)c(F)c1)C(=O)[C@H](N)CCCC#N ZINC000517746886 326821690 /nfs/dbraw/zinc/82/16/90/326821690.db2.gz FVHHDSLZCQMKJC-GFCCVEGCSA-N 0 3 299.296 2.083 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000556444127 326942381 /nfs/dbraw/zinc/94/23/81/326942381.db2.gz YUAMUBJBMIYDKT-MAZHCROVSA-N 0 3 284.363 2.261 20 30 CEEDHN CC1(C)C[C@]1(C#N)NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000584123286 327045455 /nfs/dbraw/zinc/04/54/55/327045455.db2.gz REZUFSANTKBOIF-MAUKXSAKSA-N 0 3 297.402 2.317 20 30 CEEDHN CC1(C)CCCN1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528374122 327084981 /nfs/dbraw/zinc/08/49/81/327084981.db2.gz WEJZOWCMBAVZKN-UHFFFAOYSA-N 0 3 296.370 2.160 20 30 CEEDHN C=CCNC(=O)CNC[C@H](c1ccccc1)C(C)C ZINC000298757471 327132801 /nfs/dbraw/zinc/13/28/01/327132801.db2.gz JJHKCSJSOKPZRA-HNNXBMFYSA-N 0 3 260.381 2.318 20 30 CEEDHN CC1(C)CC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000584299470 327229412 /nfs/dbraw/zinc/22/94/12/327229412.db2.gz LOVOTVAYWGJQHI-JTQLQIEISA-N 0 3 263.366 2.336 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000560477319 327312465 /nfs/dbraw/zinc/31/24/65/327312465.db2.gz AMYHKQPYFOEBFD-UHFFFAOYSA-N 0 3 279.771 2.282 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C=CCCC2)CC1 ZINC000150745824 327369377 /nfs/dbraw/zinc/36/93/77/327369377.db2.gz ZCSLHAOYDASAFD-AWEZNQCLSA-N 0 3 277.412 2.435 20 30 CEEDHN C=CCCCCCN[C@@H](Cc1ccccc1)C(N)=O ZINC000566478815 327391045 /nfs/dbraw/zinc/39/10/45/327391045.db2.gz JTNCFAVWAARXGW-HNNXBMFYSA-N 0 3 260.381 2.419 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc1 ZINC000562034662 327441355 /nfs/dbraw/zinc/44/13/55/327441355.db2.gz CCWVOAMPSUUYMX-KFWWJZLASA-N 0 3 269.348 2.000 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000377569900 329019276 /nfs/dbraw/zinc/01/92/76/329019276.db2.gz XGWZEDGZQPXNAR-RDJZCZTQSA-N 0 3 284.403 2.079 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCCCC)CC1 ZINC000171690495 329078738 /nfs/dbraw/zinc/07/87/38/329078738.db2.gz RPFKXKHUJIWQQR-UHFFFAOYSA-N 0 3 253.390 2.126 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(CCN(C)C)CC(C)C ZINC000458982535 329059706 /nfs/dbraw/zinc/05/97/06/329059706.db2.gz BEUSZZOQZSWWIW-UHFFFAOYSA-N 0 3 269.433 2.428 20 30 CEEDHN C=C(C)CCNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000458992225 329065067 /nfs/dbraw/zinc/06/50/67/329065067.db2.gz DHTFDBLPPVBPBB-QWHCGFSZSA-N 0 3 253.390 2.077 20 30 CEEDHN CC(C)(C)CCN1CCN(C(=O)NCCCCC#N)CC1 ZINC000171448617 329076152 /nfs/dbraw/zinc/07/61/52/329076152.db2.gz VLBHXHLRWXXXKS-UHFFFAOYSA-N 0 3 294.443 2.444 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000172968579 329141436 /nfs/dbraw/zinc/14/14/36/329141436.db2.gz PWWXZFXUYSXHTL-MCIONIFRSA-N 0 3 289.423 2.305 20 30 CEEDHN CCC(CC)CN(CCC#N)CCCN1CCOCC1 ZINC000173552963 329149194 /nfs/dbraw/zinc/14/91/94/329149194.db2.gz YCFMUGOKUYVSAC-UHFFFAOYSA-N 0 3 281.444 2.361 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC2(CCCC2)C1 ZINC000174271877 329156341 /nfs/dbraw/zinc/15/63/41/329156341.db2.gz ZKUQFEKNAGXDML-UHFFFAOYSA-N 0 3 263.385 2.015 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(OC)cs2)CC1 ZINC000176780162 329178711 /nfs/dbraw/zinc/17/87/11/329178711.db2.gz DFMUDGQBDIXSAK-UHFFFAOYSA-N 0 3 280.393 2.137 20 30 CEEDHN C#CCOc1ccccc1CN1CCCN(C2CC2)CC1 ZINC000179731732 329208161 /nfs/dbraw/zinc/20/81/61/329208161.db2.gz HEROEUNIILNPHV-UHFFFAOYSA-N 0 3 284.403 2.369 20 30 CEEDHN C=CCC[C@H](CO)NCc1cc(OC)c(OC)cc1OC ZINC000321078850 329252553 /nfs/dbraw/zinc/25/25/53/329252553.db2.gz BHKMREPUPZACJT-CYBMUJFWSA-N 0 3 295.379 2.129 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000184274145 329258444 /nfs/dbraw/zinc/25/84/44/329258444.db2.gz WJGREFQMHNBBGQ-WBVHZDCISA-N 0 3 291.391 2.271 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000185737409 329331015 /nfs/dbraw/zinc/33/10/15/329331015.db2.gz WJBZLWAJGLLQAV-MCIONIFRSA-N 0 3 250.386 2.284 20 30 CEEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)C(=O)NCc1ccccc1 ZINC000185795300 329331985 /nfs/dbraw/zinc/33/19/85/329331985.db2.gz PMUDWNNJOZXUEM-BPUTZDHNSA-N 0 3 285.391 2.363 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000189011108 329374929 /nfs/dbraw/zinc/37/49/29/329374929.db2.gz OFCFODNQKURTKT-IIAWOOMASA-N 0 3 282.428 2.156 20 30 CEEDHN C=CCN(C(=O)NCc1ccc2c(c1)CNC2)C1CC1 ZINC000418552376 329533625 /nfs/dbraw/zinc/53/36/25/329533625.db2.gz KRQFOUTUNOXNFW-UHFFFAOYSA-N 0 3 271.364 2.150 20 30 CEEDHN C=CCC[C@@H](O)CN(CCCO)Cc1ccccc1 ZINC000268964472 330067034 /nfs/dbraw/zinc/06/70/34/330067034.db2.gz JOLGQYSSLWGPSS-MRXNPFEDSA-N 0 3 263.381 2.198 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@@H](O)CCOCC ZINC000278802416 330120693 /nfs/dbraw/zinc/12/06/93/330120693.db2.gz ORLDMTODORXDJE-AWEZNQCLSA-N 0 3 267.369 2.098 20 30 CEEDHN C[C@H](C[C@@H]1COCCN1)N[C@@H](CCC#N)c1ccccc1 ZINC000422994474 330163161 /nfs/dbraw/zinc/16/31/61/330163161.db2.gz HUGTWPZWBDYCJJ-OIISXLGYSA-N 0 3 287.407 2.388 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000423178044 330175086 /nfs/dbraw/zinc/17/50/86/330175086.db2.gz FMWQTYAXDVBIEQ-DZGCQCFKSA-N 0 3 288.391 2.256 20 30 CEEDHN C[C@@H](c1ccccc1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424064991 330219093 /nfs/dbraw/zinc/21/90/93/330219093.db2.gz KYKWKKOMRDXLAX-JSGCOSHPSA-N 0 3 259.353 2.227 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccccc1Cl ZINC000424074737 330220437 /nfs/dbraw/zinc/22/04/37/330220437.db2.gz HTYCKCJQEJDLDF-JTQLQIEISA-N 0 3 251.717 2.300 20 30 CEEDHN CCC(CC)c1nnc(NC(=O)[C@H](N)CCCC#N)s1 ZINC000424075083 330220518 /nfs/dbraw/zinc/22/05/18/330220518.db2.gz IQIOUMFLAWKTRH-SNVBAGLBSA-N 0 3 295.412 2.401 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000424077386 330221067 /nfs/dbraw/zinc/22/10/67/330221067.db2.gz NZSKQOOBUOKUAW-CHWSQXEVSA-N 0 3 289.404 2.361 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCc1c(F)cccc1Cl ZINC000424081351 330222097 /nfs/dbraw/zinc/22/20/97/330222097.db2.gz JSEAQLNNIKXMEU-LBPRGKRZSA-N 0 3 283.734 2.116 20 30 CEEDHN CC(C)N(C(=O)[C@@H](N)CCCC#N)C1CCCC1 ZINC000424089589 330224732 /nfs/dbraw/zinc/22/47/32/330224732.db2.gz LFMMXRFNWBEBAV-ZDUSSCGKSA-N 0 3 251.374 2.187 20 30 CEEDHN COc1ccc(F)cc1[C@@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424091817 330225368 /nfs/dbraw/zinc/22/53/68/330225368.db2.gz FLMKFIVUXXAZFC-ZWNOBZJWSA-N 0 3 293.342 2.033 20 30 CEEDHN CC(C)CCN(C(=O)[C@H](N)CCCC#N)C1CC1 ZINC000424101288 330233359 /nfs/dbraw/zinc/23/33/59/330233359.db2.gz YJWQMILEYKQLMM-CYBMUJFWSA-N 0 3 251.374 2.045 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCCc2cc(F)ccc21 ZINC000424106607 330234566 /nfs/dbraw/zinc/23/45/66/330234566.db2.gz XQEYHEPBVMZTQP-CYBMUJFWSA-N 0 3 275.327 2.126 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N(CC1CC1)c1ccccc1 ZINC000424118235 330244119 /nfs/dbraw/zinc/24/41/19/330244119.db2.gz CCWLVQIASIELIC-OAHLLOKOSA-N 0 3 271.364 2.451 20 30 CEEDHN CCS[C@@H]1CC[C@@H](N(C)C(=O)[C@@H](N)CCCC#N)C1 ZINC000424120018 330247883 /nfs/dbraw/zinc/24/78/83/330247883.db2.gz GRGUEMOXSYVSDA-UPJWGTAASA-N 0 3 283.441 2.140 20 30 CEEDHN CCS[C@@H]1CC[C@@H](N(C)C(=O)[C@H](N)CCCC#N)C1 ZINC000424120017 330247990 /nfs/dbraw/zinc/24/79/90/330247990.db2.gz GRGUEMOXSYVSDA-JHJVBQTASA-N 0 3 283.441 2.140 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccccc1)CC(F)F ZINC000424122134 330253958 /nfs/dbraw/zinc/25/39/58/330253958.db2.gz INJUJPHAGRGRTK-CYBMUJFWSA-N 0 3 295.333 2.301 20 30 CEEDHN Cc1ccc(C[C@@H](C)N(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424126980 330259309 /nfs/dbraw/zinc/25/93/09/330259309.db2.gz PLKKOQNWAHXGHV-ZBFHGGJFSA-N 0 3 287.407 2.406 20 30 CEEDHN C[C@@]1(c2ccccc2)CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424133117 330265456 /nfs/dbraw/zinc/26/54/56/330265456.db2.gz YTLIFUIUVCIAOE-DOTOQJQBSA-N 0 3 285.391 2.198 20 30 CEEDHN C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424134246 330266511 /nfs/dbraw/zinc/26/65/11/330266511.db2.gz YDWVCHGYEBAOAF-KCQAQPDRSA-N 0 3 273.380 2.316 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1nc2ccsc2s1 ZINC000424135911 330270877 /nfs/dbraw/zinc/27/08/77/330270877.db2.gz ZZNDQUQQFLZIEZ-SSDOTTSWSA-N 0 3 280.378 2.317 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc(OCC)c(OC)cc1F ZINC000527693964 330279507 /nfs/dbraw/zinc/27/95/07/330279507.db2.gz YMLMSNRQLNXIBD-LBPRGKRZSA-N 0 3 283.343 2.260 20 30 CEEDHN CCC(CC)(CC)CNC(=O)[C@@H](N)CCCC#N ZINC000424144734 330290090 /nfs/dbraw/zinc/29/00/90/330290090.db2.gz XYBOVZTYIQMQMJ-LBPRGKRZSA-N 0 3 253.390 2.340 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000424146445 330293154 /nfs/dbraw/zinc/29/31/54/330293154.db2.gz BICQKUZBZNWCQC-NSHDSACASA-N 0 3 291.317 2.199 20 30 CEEDHN CC(C)CC(C)(C)CNC(=O)[C@H](N)CCCC#N ZINC000424149919 330297066 /nfs/dbraw/zinc/29/70/66/330297066.db2.gz HXZLILDLDZQWQW-GFCCVEGCSA-N 0 3 253.390 2.196 20 30 CEEDHN N#C[C@@H]1CC[C@H](NC[C@H](n2cccn2)C(F)(F)F)C1 ZINC000527935446 330297934 /nfs/dbraw/zinc/29/79/34/330297934.db2.gz VPCBPPYOMJOTIQ-VWYCJHECSA-N 0 3 272.274 2.268 20 30 CEEDHN CC(C)(C)c1csc(CNC(=O)[C@@H](N)CCCC#N)n1 ZINC000424159415 330306240 /nfs/dbraw/zinc/30/62/40/330306240.db2.gz SQNMGYAYJWFSJC-JTQLQIEISA-N 0 3 294.424 2.078 20 30 CEEDHN Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@H](N)CCCC#N ZINC000424178020 330317679 /nfs/dbraw/zinc/31/76/79/330317679.db2.gz VUKCTLNBYXHUNX-CYBMUJFWSA-N 0 3 297.362 2.345 20 30 CEEDHN CC[C@H](c1ccncc1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424185351 330320803 /nfs/dbraw/zinc/32/08/03/330320803.db2.gz ZGVAMZSIBUQTLM-ZIAGYGMSSA-N 0 3 274.368 2.012 20 30 CEEDHN Cc1nn(C)c2ncc(CN[C@@H]3CC[C@H](C#N)C3)cc12 ZINC000424194243 330324347 /nfs/dbraw/zinc/32/43/47/330324347.db2.gz LDNTUUJYVRGPFM-WCQYABFASA-N 0 3 269.352 2.059 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC000424656095 330442420 /nfs/dbraw/zinc/44/24/20/330442420.db2.gz XMVMGCJLEBSBCQ-QWHCGFSZSA-N 0 3 268.376 2.281 20 30 CEEDHN C=CC[C@H](C(=O)NCCNc1ccncc1)c1ccccc1 ZINC000429019467 330537120 /nfs/dbraw/zinc/53/71/20/330537120.db2.gz JRLJHOJDCUYMIN-KRWDZBQOSA-N 0 3 295.386 2.392 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCSC2)CC1 ZINC000448010148 330882810 /nfs/dbraw/zinc/88/28/10/330882810.db2.gz MEIQRFPVUHUUSL-ZDUSSCGKSA-N 0 3 297.468 2.079 20 30 CEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000448835126 330885319 /nfs/dbraw/zinc/88/53/19/330885319.db2.gz JRYYRPZOFITWSX-WBMJQRKESA-N 0 3 287.363 2.115 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)c(F)c1 ZINC000449516371 330932792 /nfs/dbraw/zinc/93/27/92/330932792.db2.gz AEHRAFWBCOIEIL-OLZOCXBDSA-N 0 3 251.301 2.267 20 30 CEEDHN C=CCC1(C(=O)NCCOCCN(C)C)CCCCC1 ZINC000450432438 330979085 /nfs/dbraw/zinc/97/90/85/330979085.db2.gz ALTRBAWFYDWRIL-UHFFFAOYSA-N 0 3 282.428 2.207 20 30 CEEDHN CC(C)(C#N)CCCCN1CC[C@](O)(C(F)F)C1 ZINC000451437061 331029499 /nfs/dbraw/zinc/02/94/99/331029499.db2.gz SEZYTMZNDHUBES-CYBMUJFWSA-N 0 3 260.328 2.408 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000451595567 331035575 /nfs/dbraw/zinc/03/55/75/331035575.db2.gz DIDVKPLGHWFKDB-IMJJTQAJSA-N 0 3 294.439 2.489 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCCOc1ccccc1OCC ZINC000451605967 331036335 /nfs/dbraw/zinc/03/63/35/331036335.db2.gz LWRCOIJKTOIZRV-KGLIPLIRSA-N 0 3 277.364 2.397 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000451678965 331038791 /nfs/dbraw/zinc/03/87/91/331038791.db2.gz XZKBDNSFAJVMRG-WQVCFCJDSA-N 0 3 292.423 2.099 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C(=O)OC)ccc1F ZINC000451686019 331039137 /nfs/dbraw/zinc/03/91/37/331039137.db2.gz ZKEWPOSGCIRKIY-CABCVRRESA-N 0 3 293.338 2.436 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CCCC[C@H]1OCC ZINC000452030440 331051034 /nfs/dbraw/zinc/05/10/34/331051034.db2.gz HDQCUOIIYIRHOD-HUUCEWRRSA-N 0 3 280.412 2.124 20 30 CEEDHN CC(C#N)C(=O)NCCOc1ccc(F)c(Cl)c1 ZINC000452427042 331064579 /nfs/dbraw/zinc/06/45/79/331064579.db2.gz QZGIZESQQYQBLO-MRVPVSSYSA-N 0 3 270.691 2.134 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCC[C@H](C)F)CC1 ZINC000454470398 331146909 /nfs/dbraw/zinc/14/69/09/331146909.db2.gz WAMZXXZHHPQRJN-LBPRGKRZSA-N 0 3 271.380 2.074 20 30 CEEDHN C=C(C)CCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000454876928 331155493 /nfs/dbraw/zinc/15/54/93/331155493.db2.gz PZXLTIMTSXXNMV-ZDUSSCGKSA-N 0 3 267.417 2.372 20 30 CEEDHN CC[C@H](NC(=O)C(C#N)CCc1ccccc1)[C@@H](C)O ZINC000456275302 331188653 /nfs/dbraw/zinc/18/86/53/331188653.db2.gz XIMIAVYRQHRYOE-SNPRPXQTSA-N 0 3 274.364 2.035 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2(COC)CCCC2)CC1 ZINC000457534466 331226137 /nfs/dbraw/zinc/22/61/37/331226137.db2.gz BXFODEKUPOMHHL-UHFFFAOYSA-N 0 3 294.439 2.350 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000457618994 331229188 /nfs/dbraw/zinc/22/91/88/331229188.db2.gz AITYYSFOVKYMAY-RRCSTGOVSA-N 0 3 292.423 2.099 20 30 CEEDHN C=CCSCCNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458106115 331243044 /nfs/dbraw/zinc/24/30/44/331243044.db2.gz ZSQKMHAFWVMWRD-ZDUSSCGKSA-N 0 3 285.457 2.030 20 30 CEEDHN Cc1cc(NC(=O)CSCC#N)ccc1CN(C)C ZINC000458280631 331247107 /nfs/dbraw/zinc/24/71/07/331247107.db2.gz KXEHUCIWEFLQSJ-UHFFFAOYSA-N 0 3 277.393 2.252 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](SC)C2)CC1 ZINC000458325300 331248709 /nfs/dbraw/zinc/24/87/09/331248709.db2.gz SGVRWTNCROSEDS-CQSZACIVSA-N 0 3 297.468 2.174 20 30 CEEDHN CC#CCN(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000458572586 331253266 /nfs/dbraw/zinc/25/32/66/331253266.db2.gz HDVHFZUGBVPOFQ-CVEARBPZSA-N 0 3 285.391 2.097 20 30 CEEDHN C=C(C)CN(C)C(=O)c1ccccc1OCCN(C)C ZINC000479242364 331722623 /nfs/dbraw/zinc/72/26/23/331722623.db2.gz KQJWWNWQTWZSNK-UHFFFAOYSA-N 0 3 276.380 2.275 20 30 CEEDHN C=CCN(C(=O)[C@@H](N)CC)c1nc2c(s1)CCCC2 ZINC000489952029 332074091 /nfs/dbraw/zinc/07/40/91/332074091.db2.gz ZLLZNYJYNJPNHH-JTQLQIEISA-N 0 3 279.409 2.278 20 30 CEEDHN C#CCN1CCC(C(=O)NCC(C)(C)C(F)(F)F)CC1 ZINC000491193370 332163807 /nfs/dbraw/zinc/16/38/07/332163807.db2.gz YMZFKDNSMDBXEJ-UHFFFAOYSA-N 0 3 290.329 2.036 20 30 CEEDHN C#CCNC(=O)C1CCN(Cc2ccc(F)c(C)c2)CC1 ZINC000491202775 332165039 /nfs/dbraw/zinc/16/50/39/332165039.db2.gz PUCFIEKKTPTDTE-UHFFFAOYSA-N 0 3 288.366 2.096 20 30 CEEDHN C#C[C@@H](NCc1ccc2c(c1)nnn2C)C(C)(C)C ZINC000491277935 332179838 /nfs/dbraw/zinc/17/98/38/332179838.db2.gz QVKYYHBVQTYDKI-CQSZACIVSA-N 0 3 256.353 2.106 20 30 CEEDHN C#C[C@H](C)N(C)CCC(=O)NCC1CCCCC1 ZINC000491451690 332212830 /nfs/dbraw/zinc/21/28/30/332212830.db2.gz HHGJLWSNTGSVQD-ZDUSSCGKSA-N 0 3 250.386 2.027 20 30 CEEDHN C#C[C@@H](NC[C@@H](O)Cc1cccc(Cl)c1)C(C)C ZINC000491486463 332220918 /nfs/dbraw/zinc/22/09/18/332220918.db2.gz WIMVVUCQUXKKEC-LSDHHAIUSA-N 0 3 265.784 2.491 20 30 CEEDHN C#CCN(C)CCCN[C@@H](c1ccccc1)c1cncnc1 ZINC000491675795 332281390 /nfs/dbraw/zinc/28/13/90/332281390.db2.gz XVGNNYVRGNDTSJ-SFHVURJKSA-N 0 3 294.402 2.111 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CCC[C@H](c2ccccc2)C1 ZINC000491677622 332282520 /nfs/dbraw/zinc/28/25/20/332282520.db2.gz QYODIRWUCRXWKW-HOCLYGCPSA-N 0 3 270.376 2.004 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1c(Cl)cccc1OC ZINC000491695831 332291317 /nfs/dbraw/zinc/29/13/17/332291317.db2.gz NGZDTTCUDCLNNE-UHFFFAOYSA-N 0 3 294.782 2.034 20 30 CEEDHN C#C[C@H](C)N(C)CCCN(C)C(=O)OC(C)(C)C ZINC000491700814 332295325 /nfs/dbraw/zinc/29/53/25/332295325.db2.gz VYQYZHYJZCTASA-LBPRGKRZSA-N 0 3 254.374 2.197 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC(C)(C)c1ccccc1 ZINC000491711355 332302865 /nfs/dbraw/zinc/30/28/65/332302865.db2.gz VGASKFZONVAXAR-UHFFFAOYSA-N 0 3 287.407 2.176 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(CC)cc1 ZINC000491733941 332314862 /nfs/dbraw/zinc/31/48/62/332314862.db2.gz RWLHDKSKCSNNGN-UHFFFAOYSA-N 0 3 273.380 2.326 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000491748538 332325655 /nfs/dbraw/zinc/32/56/55/332325655.db2.gz ORDHNJZMCLFHCD-CJNGLKHVSA-N 0 3 287.407 2.473 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC000491750804 332327218 /nfs/dbraw/zinc/32/72/18/332327218.db2.gz SLVHISXTEOBMHM-CQSZACIVSA-N 0 3 279.428 2.019 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C ZINC000491755145 332329656 /nfs/dbraw/zinc/32/96/56/332329656.db2.gz YHSACWSJLDWWRV-BHYGNILZSA-N 0 3 284.403 2.107 20 30 CEEDHN C#C[C@@H](C)N(C)CCCn1c2ccccc2[nH]c1=O ZINC000491810001 332362663 /nfs/dbraw/zinc/36/26/63/332362663.db2.gz ZOZLVGSYANTRRP-GFCCVEGCSA-N 0 3 257.337 2.086 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C/c2ccccc2)CC1 ZINC000491913663 332375029 /nfs/dbraw/zinc/37/50/29/332375029.db2.gz LWYUMJGOEROFTC-MDZDMXLPSA-N 0 3 282.387 2.304 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C/c2ccsc2)CC1 ZINC000491914034 332375047 /nfs/dbraw/zinc/37/50/47/332375047.db2.gz MTFVAPJRKCLDCP-SNAWJCMRSA-N 0 3 288.416 2.365 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CCSC[C@H]2C)CC1 ZINC000172377269 335103737 /nfs/dbraw/zinc/10/37/37/335103737.db2.gz VNQOLFXOOJTWRT-CYBMUJFWSA-N 0 3 297.468 2.174 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(C)cn2)CC1 ZINC000492527287 332401624 /nfs/dbraw/zinc/40/16/24/332401624.db2.gz BQQOMGMYFBOCKX-VOTSOKGWSA-N 0 3 285.391 2.170 20 30 CEEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCN(C(=O)OC)C1 ZINC000496036042 332536639 /nfs/dbraw/zinc/53/66/39/332536639.db2.gz LUSXMAINKGJCAF-GHMZBOCLSA-N 0 3 260.765 2.195 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C#N)n2)CC1 ZINC000568998852 334850578 /nfs/dbraw/zinc/85/05/78/334850578.db2.gz LNJIQJVTVZQTMI-UHFFFAOYSA-N 0 3 299.378 2.115 20 30 CEEDHN C=CCCCCN1CCN(C(=O)N(C)C)CC1(C)C ZINC000564168235 333181982 /nfs/dbraw/zinc/18/19/82/333181982.db2.gz LRQMNUYDKIASSO-UHFFFAOYSA-N 0 3 267.417 2.421 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000521755841 333186852 /nfs/dbraw/zinc/18/68/52/333186852.db2.gz JYKBDYSGVWBHIA-CQSZACIVSA-N 0 3 282.428 2.300 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)NCCN1CCC(C)CC1 ZINC000190557847 333208301 /nfs/dbraw/zinc/20/83/01/333208301.db2.gz ALEBVGNORQBWAE-HNNXBMFYSA-N 0 3 252.402 2.437 20 30 CEEDHN C=CCOc1ccccc1CNC[C@@H](COC)OC ZINC000227704584 333287525 /nfs/dbraw/zinc/28/75/25/333287525.db2.gz ALKCQIORQJFLNT-AWEZNQCLSA-N 0 3 265.353 2.002 20 30 CEEDHN CC(C#N)C(=O)NCc1ncc(-c2ccccc2)o1 ZINC000522995815 333303919 /nfs/dbraw/zinc/30/39/19/333303919.db2.gz LHRWWNQKKQNNBV-JTQLQIEISA-N 0 3 255.277 2.117 20 30 CEEDHN CC(C)(C)c1ccc(C(C)(C)NCC(=O)NCC#N)cc1 ZINC000539306097 333665143 /nfs/dbraw/zinc/66/51/43/333665143.db2.gz HKZUOZWSYXERLJ-UHFFFAOYSA-N 0 3 287.407 2.449 20 30 CEEDHN C#CCN1CCC(C(=O)NC(CC)(CC)CC)CC1 ZINC000152618952 333809509 /nfs/dbraw/zinc/80/95/09/333809509.db2.gz ZYJSUMGOPHKJJS-UHFFFAOYSA-N 0 3 264.413 2.417 20 30 CEEDHN C[C@H](NC1(C2CC2)CC1)C(=O)NC1(C#N)CCCCC1 ZINC000544415665 333930608 /nfs/dbraw/zinc/93/06/08/333930608.db2.gz QHFPYDYDQZJCGM-LBPRGKRZSA-N 0 3 275.396 2.250 20 30 CEEDHN N#CC(C(=O)c1cccc2c1CCC2)c1ccncn1 ZINC000546152312 334016668 /nfs/dbraw/zinc/01/66/68/334016668.db2.gz NZOCHXFOGVRTTK-AWEZNQCLSA-N 0 3 263.300 2.455 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000134666623 334099830 /nfs/dbraw/zinc/09/98/30/334099830.db2.gz BVOGBBQIVAVKDQ-QWHCGFSZSA-N 0 3 266.385 2.387 20 30 CEEDHN C[C@@H](CNC(=O)N1CCC(CCC#N)CC1)N(C)C1CC1 ZINC000576223587 335172973 /nfs/dbraw/zinc/17/29/73/335172973.db2.gz BTSQWFWCRZXRMM-ZDUSSCGKSA-N 0 3 292.427 2.194 20 30 CEEDHN C=C(C)CN(CC)C(=O)NCCN1CCC[C@H](C)C1 ZINC000079270172 334151109 /nfs/dbraw/zinc/15/11/09/334151109.db2.gz ARMVRNFXLLJWHJ-AWEZNQCLSA-N 0 3 267.417 2.326 20 30 CEEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000246208745 334241026 /nfs/dbraw/zinc/24/10/26/334241026.db2.gz XFRZAPJAONAHSI-RPCCPQHDSA-N 0 3 289.423 2.448 20 30 CEEDHN C#CCN(C[C@H](O)CSC)[C@H]1CCc2ccccc21 ZINC000249428888 334333958 /nfs/dbraw/zinc/33/39/58/334333958.db2.gz GMMQCLVYZDLIKF-HOCLYGCPSA-N 0 3 275.417 2.333 20 30 CEEDHN Cn1ccc2c1cccc2NC(=O)[C@H](N)CCCC#N ZINC000567660698 334747682 /nfs/dbraw/zinc/74/76/82/334747682.db2.gz TYBKGWXOROCDFC-GFCCVEGCSA-N 0 3 270.336 2.138 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@@H](N3CCCC3)C2)CCOCC1 ZINC000573084018 334906533 /nfs/dbraw/zinc/90/65/33/334906533.db2.gz RMQMSPJDIJZVOD-OAHLLOKOSA-N 0 3 292.423 2.056 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000580580487 335290681 /nfs/dbraw/zinc/29/06/81/335290681.db2.gz GERCSJQVIRETSJ-ZJIFWQFVSA-N 0 3 292.423 2.053 20 30 CEEDHN C=C(C)CN(CC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194362867 336018411 /nfs/dbraw/zinc/01/84/11/336018411.db2.gz LZNCTDOVAXKKEC-ZDUSSCGKSA-N 0 3 294.351 2.233 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCCCC[C@H]1C[C@H](C)O ZINC000385064723 336136763 /nfs/dbraw/zinc/13/67/63/336136763.db2.gz BWHQDTYISXMGMV-HOTGVXAUSA-N 0 3 296.455 2.427 20 30 CEEDHN C=C(C)Cn1c(CC)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000581917566 336165188 /nfs/dbraw/zinc/16/51/88/336165188.db2.gz INYBOBDWEVHVNQ-AWEZNQCLSA-N 0 3 289.427 2.090 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000347035149 534284685 /nfs/dbraw/zinc/28/46/85/534284685.db2.gz KJLICXCKFTWJLD-VXGBXAGGSA-N 0 3 285.347 2.150 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183142309 518894754 /nfs/dbraw/zinc/89/47/54/518894754.db2.gz KZGKWKBHQMDPRR-CYBMUJFWSA-N 0 3 298.390 2.134 20 30 CEEDHN C=CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000068564462 518903588 /nfs/dbraw/zinc/90/35/88/518903588.db2.gz WVUMNXULULSDFZ-UHFFFAOYSA-N 0 3 297.349 2.224 20 30 CEEDHN C=CCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000048396653 518909556 /nfs/dbraw/zinc/90/95/56/518909556.db2.gz GAKCMDPRUPDBKN-UHFFFAOYSA-N 0 3 273.380 2.136 20 30 CEEDHN CN(C)[C@H]1CCCN(C(=O)/C=C/c2ccccc2C#N)C1 ZINC000068341302 522092371 /nfs/dbraw/zinc/09/23/71/522092371.db2.gz ZBOZSJYIHFKONM-SCOAYWHSSA-N 0 3 283.375 2.124 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CC[C@@H](F)C2)CC1 ZINC000344784969 526595444 /nfs/dbraw/zinc/59/54/44/526595444.db2.gz BOUTWUCHNKRNEI-OCCSQVGLSA-N 0 3 283.391 2.217 20 30 CEEDHN C=C(C)COc1cc(CNCCN2CCC2)ccc1OC ZINC000344877464 526661736 /nfs/dbraw/zinc/66/17/36/526661736.db2.gz FTHGIFXJBJYVQK-UHFFFAOYSA-N 0 3 290.407 2.445 20 30 CEEDHN C=CCOCCCN1CCc2ccc(C(=O)OC)cc2C1 ZINC000348029613 526759016 /nfs/dbraw/zinc/75/90/16/526759016.db2.gz GGKCLXXCXBKUQV-UHFFFAOYSA-N 0 3 289.375 2.424 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344616662 526763277 /nfs/dbraw/zinc/76/32/77/526763277.db2.gz NNKZBRSNHYCCFE-ZNMIVQPWSA-N 0 3 294.439 2.204 20 30 CEEDHN C=C(CNC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccccc1 ZINC000334927828 526868988 /nfs/dbraw/zinc/86/89/88/526868988.db2.gz HKTYXXSOFIUPEL-KGLIPLIRSA-N 0 3 273.380 2.092 20 30 CEEDHN C=CC1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000336039576 526967605 /nfs/dbraw/zinc/96/76/05/526967605.db2.gz CXXFMHOXMYLXMA-SWLSCSKDSA-N 0 3 277.412 2.077 20 30 CEEDHN CC(C)(C)C(=O)N1CCC(N[C@H]2CCC[C@H]2C#N)CC1 ZINC000350461255 527570821 /nfs/dbraw/zinc/57/08/21/527570821.db2.gz MXVJLNGUDAIJMY-JSGCOSHPSA-N 0 3 277.412 2.305 20 30 CEEDHN CCN(CC#N)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000354883219 527885366 /nfs/dbraw/zinc/88/53/66/527885366.db2.gz JTCYIOZMDWXAEU-UHFFFAOYSA-N 0 3 271.364 2.268 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCO[C@@H]1C(C)C ZINC000330190269 529073402 /nfs/dbraw/zinc/07/34/02/529073402.db2.gz MKLMUUILXDIKDJ-RRFJBIMHSA-N 0 3 297.443 2.035 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCO[C@H]1C(C)C ZINC000330190274 529074268 /nfs/dbraw/zinc/07/42/68/529074268.db2.gz MKLMUUILXDIKDJ-ZNMIVQPWSA-N 0 3 297.443 2.035 20 30 CEEDHN CCN1CCN(Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000352700792 529149098 /nfs/dbraw/zinc/14/90/98/529149098.db2.gz UUNDDUBQEJSGHK-AWEZNQCLSA-N 0 3 257.381 2.279 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)nc1 ZINC000728813140 574470900 /nfs/dbraw/zinc/47/09/00/574470900.db2.gz IOOWBACOVBFLGA-KBPBESRZSA-N 0 3 285.391 2.056 20 30 CEEDHN C#Cc1ccc(C(=O)NCC(C)(C)N2CCCCC2)cn1 ZINC000728958807 574474113 /nfs/dbraw/zinc/47/41/13/574474113.db2.gz SXLQCGJEEVZSKH-UHFFFAOYSA-N 0 3 285.391 2.057 20 30 CEEDHN C#CCNC(=O)CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000729475749 574488651 /nfs/dbraw/zinc/48/86/51/574488651.db2.gz YGRLODKYIMDDKE-MRXNPFEDSA-N 0 3 274.339 2.006 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(C)nc2Cl)CC1 ZINC000729977569 574497607 /nfs/dbraw/zinc/49/76/07/574497607.db2.gz WKYXIYQVVHQQEI-UHFFFAOYSA-N 0 3 293.798 2.424 20 30 CEEDHN C=C(C)CNC(=S)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000731490283 574596958 /nfs/dbraw/zinc/59/69/58/574596958.db2.gz KTYLBCVFRGUTIM-AWEZNQCLSA-N 0 3 289.448 2.430 20 30 CEEDHN CC(C)[C@H](C#N)N1CCN(C[Si](C)(C)C)CC1 ZINC000731847208 574603866 /nfs/dbraw/zinc/60/38/66/574603866.db2.gz UPMXOZSABFBYDZ-ZDUSSCGKSA-N 0 3 253.466 2.030 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CC[C@H](C)C2(CCCCC2)C1 ZINC000765085456 574612678 /nfs/dbraw/zinc/61/26/78/574612678.db2.gz AISUMJSGGFZDME-LSDHHAIUSA-N 0 3 276.424 2.417 20 30 CEEDHN C=C(CN(C)C)C(=O)Nc1cc(F)c(F)cc1OC ZINC000753081210 575318832 /nfs/dbraw/zinc/31/88/32/575318832.db2.gz DNUGVGSENJLSFS-UHFFFAOYSA-N 0 3 270.279 2.030 20 30 CEEDHN C=CC[C@H](NC(=O)NCCN(C)C1CC1)c1ccncc1 ZINC000734668228 574724774 /nfs/dbraw/zinc/72/47/74/574724774.db2.gz CQELMIQNOGANFN-HNNXBMFYSA-N 0 3 288.395 2.092 20 30 CEEDHN CCN1CCC(=NNC(=S)Nc2cccnc2)[C@H](C)C1 ZINC000741456176 574987400 /nfs/dbraw/zinc/98/74/00/574987400.db2.gz HFQNJTVXAVEUNS-LLVKDONJSA-N 0 3 291.424 2.086 20 30 CEEDHN C#CCCN1CCC(NC(=O)[C@H](C)C(C)(C)C)CC1 ZINC000743493097 575105310 /nfs/dbraw/zinc/10/53/10/575105310.db2.gz HISRWGMMEBANAJ-ZDUSSCGKSA-N 0 3 264.413 2.273 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000744032552 575112384 /nfs/dbraw/zinc/11/23/84/575112384.db2.gz GRXZGCDRQOMOLG-QIIPPGSGSA-N 0 3 296.370 2.124 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)[C@H](O)c1c(F)cccc1Cl ZINC000748385767 575185306 /nfs/dbraw/zinc/18/53/06/575185306.db2.gz IERARVVGSMNTJZ-LWINAJNOSA-N 0 3 284.718 2.177 20 30 CEEDHN C#CCN(CC)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000749155497 575207520 /nfs/dbraw/zinc/20/75/20/575207520.db2.gz SXJZCGSJHHLXSD-UHFFFAOYSA-N 0 3 262.309 2.319 20 30 CEEDHN c1nncn1N=C1CCCC[C@H]1N1CCCCCC1 ZINC000749808764 575234767 /nfs/dbraw/zinc/23/47/67/575234767.db2.gz YRNCLYMPSSSIPJ-CQSZACIVSA-N 0 3 261.373 2.301 20 30 CEEDHN C#C[C@H](CC)NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000753130615 575320348 /nfs/dbraw/zinc/32/03/48/575320348.db2.gz NSZNZDZSDRKVCO-CVEARBPZSA-N 0 3 287.407 2.309 20 30 CEEDHN C#CCOCCN[C@@H](C)c1ccccc1-n1cccn1 ZINC000753768798 575341172 /nfs/dbraw/zinc/34/11/72/575341172.db2.gz NETOWXYVTHUFFP-AWEZNQCLSA-N 0 3 269.348 2.173 20 30 CEEDHN C=CC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000819733858 607481299 /nfs/dbraw/zinc/48/12/99/607481299.db2.gz DBYOGQRUPFQRQA-SECBINFHSA-N 0 3 261.304 2.060 20 30 CEEDHN C=CC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000819733858 607481302 /nfs/dbraw/zinc/48/13/02/607481302.db2.gz DBYOGQRUPFQRQA-SECBINFHSA-N 0 3 261.304 2.060 20 30 CEEDHN C=CCCC[N@@H+](C)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823894128 607503115 /nfs/dbraw/zinc/50/31/15/607503115.db2.gz ICXNOHJAWPTQGB-UHFFFAOYSA-N 0 3 287.367 2.273 20 30 CEEDHN C=CCCC[N@H+](C)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823894128 607503117 /nfs/dbraw/zinc/50/31/17/607503117.db2.gz ICXNOHJAWPTQGB-UHFFFAOYSA-N 0 3 287.367 2.273 20 30 CEEDHN C=CCCC[N@@H+](C)Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823894128 607503119 /nfs/dbraw/zinc/50/31/19/607503119.db2.gz ICXNOHJAWPTQGB-UHFFFAOYSA-N 0 3 287.367 2.273 20 30 CEEDHN C=CCCC[N@H+](C)Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823894128 607503120 /nfs/dbraw/zinc/50/31/20/607503120.db2.gz ICXNOHJAWPTQGB-UHFFFAOYSA-N 0 3 287.367 2.273 20 30 CEEDHN C=C(CC)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823877973 608308061 /nfs/dbraw/zinc/30/80/61/608308061.db2.gz LFXBZDXFEGKNIO-UHFFFAOYSA-N 0 3 257.341 2.265 20 30 CEEDHN C=C(CC)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823877973 608308063 /nfs/dbraw/zinc/30/80/63/608308063.db2.gz LFXBZDXFEGKNIO-UHFFFAOYSA-N 0 3 257.341 2.265 20 30 CEEDHN C=C(CC)C[N@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823877973 608308065 /nfs/dbraw/zinc/30/80/65/608308065.db2.gz LFXBZDXFEGKNIO-UHFFFAOYSA-N 0 3 257.341 2.265 20 30 CEEDHN C=C(CC)C[N@@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823877973 608308067 /nfs/dbraw/zinc/30/80/67/608308067.db2.gz LFXBZDXFEGKNIO-UHFFFAOYSA-N 0 3 257.341 2.265 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C2(c3cccc(C)c3)CCC2)C1 ZINC000969542974 612960367 /nfs/dbraw/zinc/96/03/67/612960367.db2.gz SRCXKLKPUYXGQH-QGZVFWFLSA-N 0 3 296.414 2.240 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C2(Cc3ccccc3)CCC2)C1 ZINC000968946266 612960371 /nfs/dbraw/zinc/96/03/71/612960371.db2.gz BZUWEZQQTORLAB-QGZVFWFLSA-N 0 3 296.414 2.223 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)C(C)C)C1 ZINC000969931347 612963398 /nfs/dbraw/zinc/96/33/98/612963398.db2.gz SCUTVRJCWZWPQM-QZTJIDSGSA-N 0 3 298.430 2.325 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C)cc2Cl)C1 ZINC000970051856 612965363 /nfs/dbraw/zinc/96/53/63/612965363.db2.gz JDWPQZFROVQCKN-GFCCVEGCSA-N 0 3 276.767 2.086 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC000970905008 612965462 /nfs/dbraw/zinc/96/54/62/612965462.db2.gz QRKYUWWLYPYECU-CQSZACIVSA-N 0 3 292.329 2.236 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cccc(C(C)C)c2)C1 ZINC000970406694 612966085 /nfs/dbraw/zinc/96/60/85/612966085.db2.gz XUXQHAWAYGACCH-MRXNPFEDSA-N 0 3 270.376 2.247 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc(Cl)cs2)C1 ZINC000970529928 612994755 /nfs/dbraw/zinc/99/47/55/612994755.db2.gz VYKDMWYVERJYRY-SNVBAGLBSA-N 0 3 296.823 2.475 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(F)cc2C)C1 ZINC000970773928 612997667 /nfs/dbraw/zinc/99/76/67/612997667.db2.gz IVXXQJFHZIBNAZ-ZDUSSCGKSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC000981844102 613003568 /nfs/dbraw/zinc/00/35/68/613003568.db2.gz BLVFRMIYHRDWOO-HZPDHXFCSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC000968369325 613015716 /nfs/dbraw/zinc/01/57/16/613015716.db2.gz ISMZYKLEBXLDPR-MLGOLLRUSA-N 0 3 287.407 2.095 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2C=CC=CC=C2)C1 ZINC000966460998 613022488 /nfs/dbraw/zinc/02/24/88/613022488.db2.gz WQHJIUMLIYCNDY-RDJZCZTQSA-N 0 3 284.403 2.135 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccsc2)C1 ZINC000964938656 613023320 /nfs/dbraw/zinc/02/33/20/613023320.db2.gz TWBAVJAAUAKCRG-JSGCOSHPSA-N 0 3 276.405 2.212 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000974657977 613032018 /nfs/dbraw/zinc/03/20/18/613032018.db2.gz ULMDZIDTFBWPDP-CHWSQXEVSA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ncc(C)cc2C)C(C)(C)C1 ZINC000974847363 613033422 /nfs/dbraw/zinc/03/34/22/613033422.db2.gz QJEYIBJZVBSBHO-OAHLLOKOSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C1=CCCC1 ZINC000968812526 613145266 /nfs/dbraw/zinc/14/52/66/613145266.db2.gz UNPVPBUXMUWKKO-OAHLLOKOSA-N 0 3 260.381 2.091 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC000948758557 613162001 /nfs/dbraw/zinc/16/20/01/613162001.db2.gz HXMYPQBPFNYBGD-BZUAXINKSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@]2(C)C=CCC2)CC1 ZINC000948695017 613162536 /nfs/dbraw/zinc/16/25/36/613162536.db2.gz WDHVETFCMXPQIM-WBVHZDCISA-N 0 3 274.408 2.289 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc(C)c(C)n2)CC1 ZINC000948621945 613163549 /nfs/dbraw/zinc/16/35/49/613163549.db2.gz YFBYQJNTEJVOFQ-MRXNPFEDSA-N 0 3 299.418 2.258 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H](C)C2CN(CC=C(C)C)C2)cn1 ZINC000970752497 613182796 /nfs/dbraw/zinc/18/27/96/613182796.db2.gz ANCAKGDJPBJVJU-AWEZNQCLSA-N 0 3 297.402 2.079 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2c(C)cc(C)nc2C)C[C@H]1C ZINC000947558758 613230903 /nfs/dbraw/zinc/23/09/03/613230903.db2.gz DNKMCCCSQGWUHL-GDBMZVCRSA-N 0 3 299.418 2.223 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2cc[nH]c2C(C)C)[C@H](C)C1 ZINC000942571566 613234512 /nfs/dbraw/zinc/23/45/12/613234512.db2.gz DUTBNLDEORATJT-UKRRQHHQSA-N 0 3 287.407 2.212 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(CC)cc2)[C@@H](C)C1 ZINC000944619665 613235846 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272.392 2.043 20 30 CEEDHN C#CCC1(NCCS(=O)(=O)c2ccc(F)cc2)CCC1 ZINC000933297035 623618016 /nfs/dbraw/zinc/61/80/16/623618016.db2.gz WETWTZHZMLXKGO-UHFFFAOYSA-N 0 3 295.379 2.135 20 30 CEEDHN Cc1noc(C[C@@H]2CCCN([C@H]3CC[C@@H](C#N)C3)C2)n1 ZINC000933568493 623846333 /nfs/dbraw/zinc/84/63/33/623846333.db2.gz CGZAUJLJAPAWPV-RDBSUJKOSA-N 0 3 274.368 2.325 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001022304118 623938792 /nfs/dbraw/zinc/93/87/92/623938792.db2.gz OOEBQHQLQZWCTD-PHIMTYICSA-N 0 3 292.757 2.411 20 30 CEEDHN COC(=O)N[C@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000234518656 624121235 /nfs/dbraw/zinc/12/12/35/624121235.db2.gz YKTZGLBUGWDWQY-LBPRGKRZSA-N 0 3 267.373 2.137 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2conc2C2CC2)C1 ZINC001022685568 624392189 /nfs/dbraw/zinc/39/21/89/624392189.db2.gz UJXMLZDBEXWXPV-PHIMTYICSA-N 0 3 295.770 2.155 20 30 CEEDHN C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000972090162 624397130 /nfs/dbraw/zinc/39/71/30/624397130.db2.gz HVXBRTMHXOOQFB-KBRIMQKVSA-N 0 3 297.402 2.247 20 30 CEEDHN C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000972104139 624409446 /nfs/dbraw/zinc/40/94/46/624409446.db2.gz HVXBRTMHXOOQFB-XKQJLSEDSA-N 0 3 297.402 2.247 20 30 CEEDHN C#C[C@H]1CCCCN1Cc1ccccc1CC(=O)OC ZINC000934514803 624553457 /nfs/dbraw/zinc/55/34/57/624553457.db2.gz NATPQQVRWFPSEV-INIZCTEOSA-N 0 3 271.360 2.390 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001022797473 624609345 /nfs/dbraw/zinc/60/93/45/624609345.db2.gz SUTAMZZCGOVPID-TXEJJXNPSA-N 0 3 296.802 2.067 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001023230541 624968774 /nfs/dbraw/zinc/96/87/74/624968774.db2.gz XLKSIRKCXRPTOK-HNNXBMFYSA-N 0 3 288.391 2.362 20 30 CEEDHN C=CCN1CCC[C@H](CNC(=O)c2scnc2C)C1 ZINC001023245203 624971715 /nfs/dbraw/zinc/97/17/15/624971715.db2.gz RHFYBFUSUUWRRC-GFCCVEGCSA-N 0 3 279.409 2.079 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001023409267 625006178 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/nfs/dbraw/zinc/04/70/62/625047062.db2.gz GMFXVZZZRPOJRD-CYBMUJFWSA-N 0 3 276.380 2.470 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001023587165 625052623 /nfs/dbraw/zinc/05/26/23/625052623.db2.gz GHDOGQUNSHZCCJ-ZIAGYGMSSA-N 0 3 298.377 2.273 20 30 CEEDHN C=CCN1CCC[C@@H](CNC(=O)c2cnoc2C2CC2)C1 ZINC001023678420 625113201 /nfs/dbraw/zinc/11/32/01/625113201.db2.gz VSPPCVHZSYAKBR-LBPRGKRZSA-N 0 3 289.379 2.180 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(C)c(CC)o2)C1 ZINC001023697632 625128363 /nfs/dbraw/zinc/12/83/63/625128363.db2.gz CKCSHTIKNJTQNI-CQSZACIVSA-N 0 3 288.391 2.225 20 30 CEEDHN C=CCN1CCC(Nc2nc(Cl)nc3nc[nH]c32)CC1 ZINC000892396805 625208602 /nfs/dbraw/zinc/20/86/02/625208602.db2.gz OGBIFVGINKLBKM-UHFFFAOYSA-N 0 3 292.774 2.069 20 30 CEEDHN C=CCN1CCC(Nc2nccnc2Cl)CC1 ZINC000892397221 625209160 /nfs/dbraw/zinc/20/91/60/625209160.db2.gz TYLANWAJLANDKO-UHFFFAOYSA-N 0 3 252.749 2.192 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1[nH]c(C)nc1C ZINC001024658147 625740788 /nfs/dbraw/zinc/74/07/88/625740788.db2.gz KWUVLLOZMLYZQK-CQSZACIVSA-N 0 3 290.411 2.187 20 30 CEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(C)nc1C ZINC001024810774 625829539 /nfs/dbraw/zinc/82/95/39/625829539.db2.gz JKVFQGAQJAFNDW-MRXNPFEDSA-N 0 3 299.418 2.306 20 30 CEEDHN CC(C)(C)[S@@](=O)CCNCc1cc(C#N)cs1 ZINC000177702861 625833883 /nfs/dbraw/zinc/83/38/83/625833883.db2.gz YTDNDEGQIYLKST-KRWDZBQOSA-N 0 3 270.423 2.257 20 30 CEEDHN CNC(=O)C(C#N)C(=O)CCCc1ccc(C2CC2)cc1 ZINC000892517669 625877538 /nfs/dbraw/zinc/87/75/38/625877538.db2.gz BXDLZCDISWDQQA-HNNXBMFYSA-N 0 3 284.359 2.342 20 30 CEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C=C(C)C ZINC001025190772 627375547 /nfs/dbraw/zinc/37/55/47/627375547.db2.gz ZYLCCZHMFBQKHI-JKSUJKDBSA-N 0 3 274.408 2.431 20 30 CEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C=C(C)C ZINC001025190771 627375645 /nfs/dbraw/zinc/37/56/45/627375645.db2.gz ZYLCCZHMFBQKHI-HZPDHXFCSA-N 0 3 274.408 2.431 20 30 CEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccccn1 ZINC001025194141 627376825 /nfs/dbraw/zinc/37/68/25/627376825.db2.gz AXBDJZPQPKBAST-IRXDYDNUSA-N 0 3 297.402 2.174 20 30 CEEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CSC ZINC001025198173 627378582 /nfs/dbraw/zinc/37/85/82/627378582.db2.gz NGZXQEIYDVLNAE-UONOGXRCSA-N 0 3 282.453 2.381 20 30 CEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccncc1 ZINC001025196675 627378969 /nfs/dbraw/zinc/37/89/69/627378969.db2.gz YIXCGWGEKNINPV-SJORKVTESA-N 0 3 297.402 2.174 20 30 CEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc[nH]c1 ZINC001025235861 627389075 /nfs/dbraw/zinc/38/90/75/627389075.db2.gz QKYGVAJZOVBSOF-HOTGVXAUSA-N 0 3 285.391 2.107 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CCCC2)C1 ZINC001025319721 627629946 /nfs/dbraw/zinc/62/99/46/627629946.db2.gz IGYYAIJUWHHXKV-DZGCQCFKSA-N 0 3 262.397 2.027 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2CCCC2)C1 ZINC001025322085 627631931 /nfs/dbraw/zinc/63/19/31/627631931.db2.gz DYGLMZFNKGLPLS-GDBMZVCRSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C)c2)C1 ZINC001025329051 627636425 /nfs/dbraw/zinc/63/64/25/627636425.db2.gz NGLOYIXCWWMPJH-NVXWUHKLSA-N 0 3 284.403 2.459 20 30 CEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc[nH]c2C)C1 ZINC001025371978 627661630 /nfs/dbraw/zinc/66/16/30/627661630.db2.gz MHAHFDCEEBPHND-ZFWWWQNUSA-N 0 3 287.407 2.177 20 30 CEEDHN C=CC(C)(C)CCCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000892694062 627674196 /nfs/dbraw/zinc/67/41/96/627674196.db2.gz CWXUGACXPMAOIN-OLZOCXBDSA-N 0 3 267.417 2.371 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C)nc(C)c2)C1 ZINC001025432974 627692427 /nfs/dbraw/zinc/69/24/27/627692427.db2.gz WMKQHUVGFQNKNO-HZPDHXFCSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc3occc3[nH]2)C1 ZINC001025434319 627692475 /nfs/dbraw/zinc/69/24/75/627692475.db2.gz VNIGMTVVMXVQII-QWHCGFSZSA-N 0 3 299.374 2.224 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(F)c[nH]2)C1 ZINC001025484808 627719514 /nfs/dbraw/zinc/71/95/14/627719514.db2.gz JPMKDEUPBMIWTD-CHWSQXEVSA-N 0 3 291.370 2.007 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2CC3(CCC3)C2)C1 ZINC001025510873 627729282 /nfs/dbraw/zinc/72/92/82/627729282.db2.gz ZIAWFRATLVEWGS-HUUCEWRRSA-N 0 3 288.435 2.417 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C)co2)C1 ZINC001025515343 627731269 /nfs/dbraw/zinc/73/12/69/627731269.db2.gz JYKGSXXBKPJRSL-HUUCEWRRSA-N 0 3 288.391 2.442 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C2CC3(CC3)C2)C1 ZINC001025527260 627734163 /nfs/dbraw/zinc/73/41/63/627734163.db2.gz FJZGWQBBNWYDES-KGLIPLIRSA-N 0 3 274.408 2.027 20 30 CEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C2CC3(CC3)C2)C1 ZINC001025534584 627738943 /nfs/dbraw/zinc/73/89/43/627738943.db2.gz QIGRQWYRDNRZSP-GJZGRUSLSA-N 0 3 288.435 2.417 20 30 CEEDHN C[C@]1(NC(=O)CCc2ccc(C#N)cc2)CN2CCC1CC2 ZINC000892791688 627775195 /nfs/dbraw/zinc/77/51/95/627775195.db2.gz GHZBFZJIWUPQBH-SFHVURJKSA-N 0 3 297.402 2.091 20 30 CEEDHN C[C@@]1(NC(=O)/C=C/c2ccccc2C#N)CN2CCC1CC2 ZINC000892794156 627776100 /nfs/dbraw/zinc/77/61/00/627776100.db2.gz OWCWPJKVJRLBAM-IPLHWJFFSA-N 0 3 295.386 2.172 20 30 CEEDHN C[C@]1(NC(=O)/C=C\c2ccccc2C#N)CN2CCC1CC2 ZINC000892794159 627776279 /nfs/dbraw/zinc/77/62/79/627776279.db2.gz OWCWPJKVJRLBAM-MJRGOJFPSA-N 0 3 295.386 2.172 20 30 CEEDHN N#CCCCCNCc1cn(Cc2ccccc2)nn1 ZINC000892928885 627855104 /nfs/dbraw/zinc/85/51/04/627855104.db2.gz ADMHKMGYSOWMKV-UHFFFAOYSA-N 0 3 269.352 2.110 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]1CCC ZINC001025837390 627897564 /nfs/dbraw/zinc/89/75/64/627897564.db2.gz ADLVSTHFRCRIIE-RFBLXINOSA-N 0 3 276.424 2.435 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC001019804983 627915579 /nfs/dbraw/zinc/91/55/79/627915579.db2.gz OUKYRJBTZUSKDM-IRXDYDNUSA-N 0 3 296.414 2.320 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001007750468 627974152 /nfs/dbraw/zinc/97/41/52/627974152.db2.gz XVPBHKBWSMPCJL-CYBMUJFWSA-N 0 3 290.411 2.133 20 30 CEEDHN C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]12 ZINC001026206667 628077852 /nfs/dbraw/zinc/07/78/52/628077852.db2.gz KCRNETTWNMNLMO-BPLDGKMQSA-N 0 3 286.375 2.018 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(F)c2)C1 ZINC001006641187 628268182 /nfs/dbraw/zinc/26/81/82/628268182.db2.gz UWJKHEIJFZBHHZ-HNNXBMFYSA-N 0 3 274.339 2.043 20 30 CEEDHN CCC(=O)N1CC[C@H](CNCc2cc(F)ccc2C#N)C1 ZINC001026629654 628463150 /nfs/dbraw/zinc/46/31/50/628463150.db2.gz RPPKFALHTSOBEC-GFCCVEGCSA-N 0 3 289.354 2.045 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2nc(C)oc2C)C1 ZINC001008972173 628580714 /nfs/dbraw/zinc/58/07/14/628580714.db2.gz AKBURGBXNPTQOL-CYBMUJFWSA-N 0 3 277.368 2.062 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001009437172 628609304 /nfs/dbraw/zinc/60/93/04/628609304.db2.gz TXEPSABCOPRDOJ-SFHVURJKSA-N 0 3 298.430 2.450 20 30 CEEDHN N#CC1(c2ccccn2)CCN(c2ccncc2CO)CC1 ZINC000893696634 628929903 /nfs/dbraw/zinc/92/99/03/628929903.db2.gz LLGDSIWJNDVXOV-UHFFFAOYSA-N 0 3 294.358 2.031 20 30 CEEDHN CCO[C@@H]1C[C@H](N[C@@H]2CCc3cc(C#N)ccc32)[C@H]1OC ZINC000894103045 629130329 /nfs/dbraw/zinc/13/03/29/629130329.db2.gz RRIWEBJJPVNKNQ-YYIAUSFCSA-N 0 3 286.375 2.328 20 30 CEEDHN C=CCCC[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000894119562 629141867 /nfs/dbraw/zinc/14/18/67/629141867.db2.gz IFUOCUWYJWQNCT-UHFFFAOYSA-N 0 3 266.297 2.365 20 30 CEEDHN CN(CCC#N)c1ccc(CNCc2cnn(C)c2)cc1 ZINC000067223505 629174991 /nfs/dbraw/zinc/17/49/91/629174991.db2.gz PWXJFPWASKUZMN-UHFFFAOYSA-N 0 3 283.379 2.060 20 30 CEEDHN C=CCCCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000894262599 629275427 /nfs/dbraw/zinc/27/54/27/629275427.db2.gz ZDBXMQYXHSWGAD-ZIAGYGMSSA-N 0 3 265.401 2.221 20 30 CEEDHN COc1ccc2nccc(N3CC[C@](O)(CC#N)C3)c2c1 ZINC000894348647 629379727 /nfs/dbraw/zinc/37/97/27/629379727.db2.gz AQOMSQBMMDBRMW-MRXNPFEDSA-N 0 3 283.331 2.098 20 30 CEEDHN CC(C)C#CC(=O)NCCCN1CCc2ccccc2C1 ZINC000821468966 634734383 /nfs/dbraw/zinc/73/43/83/634734383.db2.gz FVSUQSWTGUACGV-UHFFFAOYSA-N 0 3 284.403 2.210 20 30 CEEDHN C#Cc1ccc(CN[C@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000894667721 629580260 /nfs/dbraw/zinc/58/02/60/629580260.db2.gz KMKYOUAFRHSCID-CVEARBPZSA-N 0 3 289.350 2.391 20 30 CEEDHN C=C(C)CC[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000894711713 629605481 /nfs/dbraw/zinc/60/54/81/629605481.db2.gz KTAZPEVLPIUVFN-UHFFFAOYSA-N 0 3 266.297 2.365 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000928435629 629661414 /nfs/dbraw/zinc/66/14/14/629661414.db2.gz MOHUTNRAAAEAGY-WFASDCNBSA-N 0 3 285.391 2.310 20 30 CEEDHN CN(C)CC#CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000894875559 629710556 /nfs/dbraw/zinc/71/05/56/629710556.db2.gz GMPWBPZJVGERLE-UHFFFAOYSA-N 0 3 284.319 2.120 20 30 CEEDHN C#CCC(C)(C)C(=O)NC[C@H]1CCCCN1CC ZINC000185523530 629929858 /nfs/dbraw/zinc/92/98/58/629929858.db2.gz NITDLOSBLNHXHC-CYBMUJFWSA-N 0 3 250.386 2.027 20 30 CEEDHN CC(C)(NCc1ccc(CC#N)cc1)C(=O)N1CCCC1 ZINC000796585577 629938499 /nfs/dbraw/zinc/93/84/99/629938499.db2.gz RTMJRAFNAPHSJZ-UHFFFAOYSA-N 0 3 285.391 2.243 20 30 CEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCC(F)F ZINC000796628287 629949274 /nfs/dbraw/zinc/94/92/74/629949274.db2.gz AKSRDRZIAXEBOK-VIFPVBQESA-N 0 3 296.273 2.388 20 30 CEEDHN N#CC(C(=O)CCC(F)F)C(=O)Nc1ccccc1 ZINC000796630376 629949328 /nfs/dbraw/zinc/94/93/28/629949328.db2.gz CSZMFCSRSDZTFZ-JTQLQIEISA-N 0 3 266.247 2.379 20 30 CEEDHN C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895159415 629976563 /nfs/dbraw/zinc/97/65/63/629976563.db2.gz VKRFUDPUYQXVGK-SMDDNHRTSA-N 0 3 288.347 2.334 20 30 CEEDHN O=C1[C@@H]([NH2+]CCC2CCCCCC2)CCCN1[O-] ZINC000895159357 629976752 /nfs/dbraw/zinc/97/67/52/629976752.db2.gz FPYRBHYBIZAOAG-ZDUSSCGKSA-N 0 3 254.374 2.317 20 30 CEEDHN O=C1[C@H]([NH2+][C@@H]2CCCC23CCCCC3)CCCN1[O-] ZINC000895159612 629977102 /nfs/dbraw/zinc/97/71/02/629977102.db2.gz WJFFFYSYYRZDEX-CHWSQXEVSA-N 0 3 266.385 2.459 20 30 CEEDHN O=C1[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCCN1[O-] ZINC000895161819 629980705 /nfs/dbraw/zinc/98/07/05/629980705.db2.gz URRVIEOZRZHQAR-RRFJBIMHSA-N 0 3 274.364 2.293 20 30 CEEDHN O=C1[C@H]([NH2+]CCCCCOc2ccccc2)CCCN1[O-] ZINC000895162157 629981290 /nfs/dbraw/zinc/98/12/90/629981290.db2.gz XELZYKYISMDNKU-OAHLLOKOSA-N 0 3 292.379 2.206 20 30 CEEDHN C[C@H](C[NH2+][C@@H]1CCCN([O-])C1=O)c1cccc(Cl)c1 ZINC000895162409 629982346 /nfs/dbraw/zinc/98/23/46/629982346.db2.gz YVSXHNAWCDGUPO-ZWNOBZJWSA-N 0 3 282.771 2.413 20 30 CEEDHN Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CCCN([O-])C2=O)cc1 ZINC000895163263 629984675 /nfs/dbraw/zinc/98/46/75/629984675.db2.gz SQBQMBMPDAWTTQ-HIFRSBDPSA-N 0 3 276.380 2.286 20 30 CEEDHN CC1=NO[C@H](CNCc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000895309909 630099230 /nfs/dbraw/zinc/09/92/30/630099230.db2.gz XBTFYBNPQNMOOU-DOMZBBRYSA-N 0 3 273.336 2.232 20 30 CEEDHN C#CCCN(CCOC)C[C@H]1C[C@@]1(C)Br ZINC000895471154 630208973 /nfs/dbraw/zinc/20/89/73/630208973.db2.gz JTWXFKQYPSQDTM-VXGBXAGGSA-N 0 3 274.202 2.132 20 30 CEEDHN C#CC1(O)CCN(Cc2cncc3ccccc32)CC1 ZINC000895382409 630152780 /nfs/dbraw/zinc/15/27/80/630152780.db2.gz FKSRDCOBTRJOLP-UHFFFAOYSA-N 0 3 266.344 2.195 20 30 CEEDHN C#CCCOc1ccc(CN2CCC(O)(C#C)CC2)cc1 ZINC000895382990 630154367 /nfs/dbraw/zinc/15/43/67/630154367.db2.gz OGBDCKQLEFCEFQ-UHFFFAOYSA-N 0 3 283.371 2.049 20 30 CEEDHN C#CC[C@@H](COC)NCc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC000895414646 630174111 /nfs/dbraw/zinc/17/41/11/630174111.db2.gz GDVULLLPLRAZST-LBPRGKRZSA-N 0 3 292.379 2.053 20 30 CEEDHN C[C@@H](NCCN1CCCCC1)c1cc(C#N)ccn1 ZINC000902736471 634802608 /nfs/dbraw/zinc/80/26/08/634802608.db2.gz SMNLYBQESNNVQB-CYBMUJFWSA-N 0 3 258.369 2.090 20 30 CEEDHN C[C@H](NCCc1cn2c(n1)CCCC2)c1cc(C#N)ccn1 ZINC000902741571 634805294 /nfs/dbraw/zinc/80/52/94/634805294.db2.gz DNPUKSMXOZBRCI-ZDUSSCGKSA-N 0 3 295.390 2.379 20 30 CEEDHN C#CCN1CCC(Nc2cc(C#N)nc3ccccc32)CC1 ZINC000895809525 630351390 /nfs/dbraw/zinc/35/13/90/630351390.db2.gz YSCFXKYEHJXCBK-UHFFFAOYSA-N 0 3 290.370 2.038 20 30 CEEDHN C#CCN1CCC(Nc2ccnc3cc(F)cnc32)CC1 ZINC000895808197 630357351 /nfs/dbraw/zinc/35/73/51/630357351.db2.gz HSDMPAJIPQPALX-UHFFFAOYSA-N 0 3 284.338 2.278 20 30 CEEDHN CN(CC#Cc1ccccc1)CCN1CC2(C1)CCOCC2 ZINC000895860480 630372905 /nfs/dbraw/zinc/37/29/05/630372905.db2.gz AIAACQUZWSAGFR-UHFFFAOYSA-N 0 3 298.430 2.082 20 30 CEEDHN C[C@H](NC[C@H](CO)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902762257 634815851 /nfs/dbraw/zinc/81/58/51/634815851.db2.gz JTZIGFMTZUNYQG-WMLDXEAASA-N 0 3 295.386 2.455 20 30 CEEDHN Cc1cn[nH]c1CN1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000896652583 630625945 /nfs/dbraw/zinc/62/59/45/630625945.db2.gz BLOSLEWWNBBFHO-AWEZNQCLSA-N 0 3 296.378 2.061 20 30 CEEDHN C#CCN(C(=O)c1cccc(CN(C)C)c1)C(C)C ZINC000928627551 630686974 /nfs/dbraw/zinc/68/69/74/630686974.db2.gz ZVJVPKCVOHJAMQ-UHFFFAOYSA-N 0 3 258.365 2.232 20 30 CEEDHN Nc1cc(N2CCC3(CC2)CC(=O)C=CO3)c(Cl)cn1 ZINC000896886247 630700462 /nfs/dbraw/zinc/70/04/62/630700462.db2.gz WBTMHKSTPNVGIV-UHFFFAOYSA-N 0 3 293.754 2.159 20 30 CEEDHN Cc1nccn1-c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cn1 ZINC000799714928 631067313 /nfs/dbraw/zinc/06/73/13/631067313.db2.gz JAPDBLUPSYYNGA-UKRRQHHQSA-N 0 3 281.363 2.358 20 30 CEEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000800385393 631117359 /nfs/dbraw/zinc/11/73/59/631117359.db2.gz XSRHMKIEWQHCIE-RYUDHWBXSA-N 0 3 250.342 2.144 20 30 CEEDHN C[C@H](C#N)OCCN1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000801927196 631358310 /nfs/dbraw/zinc/35/83/10/631358310.db2.gz JRMUIPQJVDDDCF-KGLIPLIRSA-N 0 3 296.411 2.359 20 30 CEEDHN C[C@@H](C#N)OCCN[C@H](Cn1cccn1)c1ccccc1 ZINC000801933476 631360752 /nfs/dbraw/zinc/36/07/52/631360752.db2.gz SYSNCHXCOOAGSM-GOEBONIOSA-N 0 3 284.363 2.143 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000321460044 631402205 /nfs/dbraw/zinc/40/22/05/631402205.db2.gz OXWDLKXCWGJAMK-NSHDSACASA-N 0 3 270.716 2.275 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CCC2CCCC2)C1 ZINC000987898113 631472475 /nfs/dbraw/zinc/47/24/75/631472475.db2.gz OWGKNZSROJLTTQ-ZFWWWQNUSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C)c(F)cc2F)C1 ZINC000989025586 631716418 /nfs/dbraw/zinc/71/64/18/631716418.db2.gz BYWCVBPEHPWERZ-VXGBXAGGSA-N 0 3 292.329 2.099 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cn(C)c3ccccc23)C1 ZINC000989135034 631733024 /nfs/dbraw/zinc/73/30/24/631733024.db2.gz BUZVYHKCVDLTLM-UONOGXRCSA-N 0 3 295.386 2.004 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000989274362 631765983 /nfs/dbraw/zinc/76/59/83/631765983.db2.gz RMSAFBGWYUCTAJ-RISCZKNCSA-N 0 3 299.349 2.133 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000989384295 631804545 /nfs/dbraw/zinc/80/45/45/631804545.db2.gz NKEADUKXOBWQQD-PWSUYJOCSA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2c(C)cc(C)cc2C)C1 ZINC000989395199 631807858 /nfs/dbraw/zinc/80/78/58/631807858.db2.gz BNGBMHZWLPQRIY-SJORKVTESA-N 0 3 298.430 2.367 20 30 CEEDHN Cc1cc([N+](=O)[O-])ccc1N=NC1C[C@@H](C)N(C)C1 ZINC000807989299 631898894 /nfs/dbraw/zinc/89/88/94/631898894.db2.gz GCHVPMKGUCGEAW-SNVBAGLBSA-N 0 3 262.313 2.395 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(C)C)cn2)C1 ZINC000989450810 632039544 /nfs/dbraw/zinc/03/95/44/632039544.db2.gz QALAGCPKRBWDNH-UKRRQHHQSA-N 0 3 285.391 2.031 20 30 CEEDHN C=CCc1ccccc1OS(=O)(=O)CCN(CC)CC ZINC000810033155 632171654 /nfs/dbraw/zinc/17/16/54/632171654.db2.gz AORAQTNDVLXEAZ-UHFFFAOYSA-N 0 3 297.420 2.466 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cnc3ccccc3c2)C1 ZINC000989487338 632188698 /nfs/dbraw/zinc/18/86/98/632188698.db2.gz KLNOJPCKHBYZDH-BBRMVZONSA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3cccnc3c2)C1 ZINC000989573482 632205875 /nfs/dbraw/zinc/20/58/75/632205875.db2.gz TXKFPWQUKUCGDV-BBRMVZONSA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc3scnc3c2)C1 ZINC000989635309 632215519 /nfs/dbraw/zinc/21/55/19/632215519.db2.gz LPORIWMZSSIAKE-WCQYABFASA-N 0 3 299.399 2.122 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2c(C)noc2CC)CC1 ZINC000989640238 632217489 /nfs/dbraw/zinc/21/74/89/632217489.db2.gz BMXGDVZNBRYIKL-UHFFFAOYSA-N 0 3 291.395 2.269 20 30 CEEDHN N#CC(C(=O)Cc1cccc(Cl)c1F)C(=O)NC1CC1 ZINC000810530350 632223225 /nfs/dbraw/zinc/22/32/25/632223225.db2.gz BDKKANBMKJSDGA-SNVBAGLBSA-N 0 3 294.713 2.009 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3[nH]ccc3s2)C1 ZINC000989730845 632231350 /nfs/dbraw/zinc/23/13/50/632231350.db2.gz QRMAICYCRREKPM-GHMZBOCLSA-N 0 3 287.388 2.055 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3c(s2)CCC3)C1 ZINC000989754806 632238663 /nfs/dbraw/zinc/23/86/63/632238663.db2.gz AUJKWRMZIIILDW-DGCLKSJQSA-N 0 3 288.416 2.063 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC000989831123 632248229 /nfs/dbraw/zinc/24/82/29/632248229.db2.gz HOUBRXFVYRWOIQ-ZIAGYGMSSA-N 0 3 295.386 2.302 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cncc3ccccc32)C1 ZINC000989827042 632250508 /nfs/dbraw/zinc/25/05/08/632250508.db2.gz XJKKZDHYMNADMA-UKRRQHHQSA-N 0 3 293.370 2.061 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](C)C3CC3)CCC[C@H]12 ZINC000990150866 632321146 /nfs/dbraw/zinc/32/11/46/632321146.db2.gz RUGOPNHJKHZKOC-UKPHBRMFSA-N 0 3 274.408 2.169 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)[C@H]3C[C@@H]3C(F)F)CCC[C@@H]12 ZINC000990437568 632355580 /nfs/dbraw/zinc/35/55/80/632355580.db2.gz NYLWTURALCNMFY-OHTBPHCPSA-N 0 3 284.350 2.187 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3C[C@@H]3C(F)F)CCC[C@@H]12 ZINC000990437571 632355639 /nfs/dbraw/zinc/35/56/39/632355639.db2.gz NYLWTURALCNMFY-UUIJZJDISA-N 0 3 284.350 2.187 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)C(C)=C3CCC3)CCC[C@@H]12 ZINC000990638724 632410214 /nfs/dbraw/zinc/41/02/14/632410214.db2.gz OEKYLGBZHRHZDT-WBVHZDCISA-N 0 3 272.392 2.233 20 30 CEEDHN C#C[C@H](NC1CCN(C(=O)CC)CC1)c1ccc(F)cc1 ZINC000812792015 632581367 /nfs/dbraw/zinc/58/13/67/632581367.db2.gz HVMHXZYUEOTZHP-INIZCTEOSA-N 0 3 288.366 2.491 20 30 CEEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCC#N)cc1 ZINC000813059597 632612263 /nfs/dbraw/zinc/61/22/63/632612263.db2.gz CPDLKOBXZXFXOO-CYBMUJFWSA-N 0 3 285.303 2.036 20 30 CEEDHN C=C(C)CN1CCC(NC(=S)NC2CCC2)CC1 ZINC000814197267 632806944 /nfs/dbraw/zinc/80/69/44/632806944.db2.gz VWICWWXWPPLGLD-UHFFFAOYSA-N 0 3 267.442 2.044 20 30 CEEDHN COc1ccc(/C=C2\C(=O)c3ncnn3C2C)c(C)c1 ZINC000899381841 632822937 /nfs/dbraw/zinc/82/29/37/632822937.db2.gz SVIFPMZNWKMYQZ-QVASGMJFSA-N 0 3 269.304 2.436 20 30 CEEDHN N#CC(C(=O)CC1(C#N)CC1)c1nc2ccccc2[nH]1 ZINC000815897687 633075224 /nfs/dbraw/zinc/07/52/24/633075224.db2.gz DOQSIFQLXDHNBD-JTQLQIEISA-N 0 3 264.288 2.433 20 30 CEEDHN CC[C@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(C#N)c1 ZINC000902875152 634866592 /nfs/dbraw/zinc/86/65/92/634866592.db2.gz LBFVEEFHVFHAPJ-ZBFHGGJFSA-N 0 3 283.375 2.362 20 30 CEEDHN C=CCC(F)(F)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000816649685 633456993 /nfs/dbraw/zinc/45/69/93/633456993.db2.gz HKSJEVBVHBNRHB-NWDGAFQWSA-N 0 3 272.339 2.283 20 30 CEEDHN C#CCCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900709923 633813666 /nfs/dbraw/zinc/81/36/66/633813666.db2.gz NZSGCROVCMLOHD-UHFFFAOYSA-N 0 3 255.321 2.044 20 30 CEEDHN C#CCCCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900872335 633872564 /nfs/dbraw/zinc/87/25/64/633872564.db2.gz ZEGXLRMQHPAJHG-UHFFFAOYSA-N 0 3 269.348 2.434 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000818603023 633956812 /nfs/dbraw/zinc/95/68/12/633956812.db2.gz LPTMNPUZTUBWBT-UHFFFAOYSA-N 0 3 297.402 2.470 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(c2cccc(C)c2)CCC1 ZINC000818609031 633958745 /nfs/dbraw/zinc/95/87/45/633958745.db2.gz HBNAJRUZXCYFBM-UHFFFAOYSA-N 0 3 298.430 2.488 20 30 CEEDHN CCn1nc(C)c(CNC[C@H](O)c2ccc(C#N)cc2)c1C ZINC000819009415 634038026 /nfs/dbraw/zinc/03/80/26/634038026.db2.gz NSNHOXQUDZFTBB-KRWDZBQOSA-N 0 3 298.390 2.215 20 30 CEEDHN CCC(=NN[C@@H]1CCCC[C@H]1O)c1ccc(N)cc1 ZINC000901332862 634048956 /nfs/dbraw/zinc/04/89/56/634048956.db2.gz RMDKIABCBRVICN-HUUCEWRRSA-N 0 3 261.369 2.276 20 30 CEEDHN N#Cc1ccc([C@H](O)CN[C@@H]2CCCC[C@H]2F)cc1 ZINC000819370105 634159965 /nfs/dbraw/zinc/15/99/65/634159965.db2.gz PTKRKAABJXCBOX-RBSFLKMASA-N 0 3 262.328 2.462 20 30 CEEDHN OCCN1CCC(N=Nc2cccc(Cl)c2F)CC1 ZINC000819807299 634268166 /nfs/dbraw/zinc/26/81/66/634268166.db2.gz NUQNGBLNVOYAFZ-UHFFFAOYSA-N 0 3 285.750 2.335 20 30 CEEDHN C#C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccc(F)cc1 ZINC000819997666 634310002 /nfs/dbraw/zinc/31/00/02/634310002.db2.gz MRNABXAQLUQGAU-HZPDHXFCSA-N 0 3 288.366 2.489 20 30 CEEDHN CCC(CC)[C@@H](O)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902799757 634839526 /nfs/dbraw/zinc/83/95/26/634839526.db2.gz GUJZNIUWXCDTFN-NHYWBVRUSA-N 0 3 261.369 2.401 20 30 CEEDHN C[C@H](NCCc1cn2c(n1)SCC2)c1cc(C#N)ccn1 ZINC000902957452 634912891 /nfs/dbraw/zinc/91/28/91/634912891.db2.gz SKSATJYKGZTYDP-NSHDSACASA-N 0 3 299.403 2.149 20 30 CEEDHN CC[C@H](N[C@@H](C)C(=O)N(C)CC)c1cccc(C#N)c1 ZINC000902971280 634924083 /nfs/dbraw/zinc/92/40/83/634924083.db2.gz VOVKFSZGYSAZQY-WFASDCNBSA-N 0 3 273.380 2.466 20 30 CEEDHN C[C@@H](CC#N)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000822613873 634954244 /nfs/dbraw/zinc/95/42/44/634954244.db2.gz UYFHTMTVLZLGMW-HNNXBMFYSA-N 0 3 287.407 2.169 20 30 CEEDHN C[C@H](NC[C@@H](O)Cc1ccccc1F)c1cc(C#N)ccn1 ZINC000903094666 634976031 /nfs/dbraw/zinc/97/60/31/634976031.db2.gz PCPQRAZRCXXCPG-WFASDCNBSA-N 0 3 299.349 2.347 20 30 CEEDHN CC[C@@H](N[C@@H]1COCC[C@H]1OC)c1cccc(C#N)c1 ZINC000903296620 635045318 /nfs/dbraw/zinc/04/53/18/635045318.db2.gz KLYGVTZNWCJJNF-BZUAXINKSA-N 0 3 274.364 2.403 20 30 CEEDHN C=CCN1CC[C@@H](N(C)CC[C@@H]2CC2(Cl)Cl)C1=O ZINC000823015346 635049074 /nfs/dbraw/zinc/04/90/74/635049074.db2.gz CARMCLIKLSWWLI-GHMZBOCLSA-N 0 3 291.222 2.289 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1nc2ccccc2cc1C ZINC000823187281 635091357 /nfs/dbraw/zinc/09/13/57/635091357.db2.gz AHLURDALDVRXME-UHFFFAOYSA-N 0 3 295.386 2.228 20 30 CEEDHN CCn1nc(C)c(CNCC2CCC(C#N)CC2)n1 ZINC000824333231 635407422 /nfs/dbraw/zinc/40/74/22/635407422.db2.gz UTEIRFRFBQBCBD-UHFFFAOYSA-N 0 3 261.373 2.026 20 30 CEEDHN CCC[C@@H](C)CN1CCC(C#N)(C(=O)OC)CC1 ZINC000824867710 635516193 /nfs/dbraw/zinc/51/61/93/635516193.db2.gz VEVLLXBHXQVQNK-GFCCVEGCSA-N 0 3 252.358 2.201 20 30 CEEDHN C[C@H](CNC(=O)C#Cc1cccs1)N1CCC(C)CC1 ZINC000825466331 635643582 /nfs/dbraw/zinc/64/35/82/635643582.db2.gz DCZUBWJOCVHSAZ-CQSZACIVSA-N 0 3 290.432 2.336 20 30 CEEDHN C[C@H](C#N)Oc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905079672 635796446 /nfs/dbraw/zinc/79/64/46/635796446.db2.gz DNBHBQBIXHQOBW-PRRORJFTSA-N 0 3 294.314 2.410 20 30 CEEDHN COc1ccc(/C=C2\C(=O)c3ncnn3C2C)c(C)c1OC ZINC000905083192 635798489 /nfs/dbraw/zinc/79/84/89/635798489.db2.gz CNAIKKVLFAVPCF-VPMLRQHESA-N 0 3 299.330 2.445 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCc1cc(C#N)ccc1F ZINC000905519491 636318440 /nfs/dbraw/zinc/31/84/40/636318440.db2.gz VFGHBXBTOYFZDR-CYBMUJFWSA-N 0 3 275.327 2.088 20 30 CEEDHN C#C[C@H](NCc1cnc2cccc(C)n12)C1CCOCC1 ZINC000827564609 636354727 /nfs/dbraw/zinc/35/47/27/636354727.db2.gz DRZCAYBTOILOHU-INIZCTEOSA-N 0 3 283.375 2.161 20 30 CEEDHN C#C[C@H](NCc1cccc(OC)c1OC)C1CCOCC1 ZINC000827570776 636357444 /nfs/dbraw/zinc/35/74/44/636357444.db2.gz QHCLHTIYFQYTCG-HNNXBMFYSA-N 0 3 289.375 2.222 20 30 CEEDHN C#Cc1ccc(CN2CCC(N3CCOC3=O)CC2)cc1 ZINC000827733829 636406968 /nfs/dbraw/zinc/40/69/68/636406968.db2.gz PHTDPXNMQVODFH-UHFFFAOYSA-N 0 3 284.359 2.085 20 30 CEEDHN Cc1cc(C#N)cc(C)c1CC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000906796914 636855985 /nfs/dbraw/zinc/85/59/85/636855985.db2.gz DVLSFKQARLQQJK-INIZCTEOSA-N 0 3 299.418 2.270 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)N2CCc3ccccc3C2)C1 ZINC000829769683 636925670 /nfs/dbraw/zinc/92/56/70/636925670.db2.gz ZNJNSCOBVWPZNZ-MRXNPFEDSA-N 0 3 296.414 2.307 20 30 CEEDHN C#CC1CCN([C@@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000830311230 637032300 /nfs/dbraw/zinc/03/23/00/637032300.db2.gz IJNJRGWWQSSBFL-HNNXBMFYSA-N 0 3 284.403 2.079 20 30 CEEDHN C#CC1CCN([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000830345794 637043338 /nfs/dbraw/zinc/04/33/38/637043338.db2.gz SUPFTGJLJINASU-OAHLLOKOSA-N 0 3 276.424 2.369 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCc2ccccc21 ZINC000876543360 650314879 /nfs/dbraw/zinc/31/48/79/650314879.db2.gz BGHAKAMOLYJPHQ-GFCCVEGCSA-N 0 3 264.756 2.436 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccccc1 ZINC000876544562 650315690 /nfs/dbraw/zinc/31/56/90/650315690.db2.gz WFSKRNNEPYYPIA-GFCCVEGCSA-N 0 3 252.745 2.115 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccccc1OC ZINC000876557585 650326288 /nfs/dbraw/zinc/32/62/88/650326288.db2.gz ZUBRUBWVVWDFGS-ZYHUDNBSSA-N 0 3 282.771 2.342 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc(C)c(C)s1 ZINC000876558496 650326413 /nfs/dbraw/zinc/32/64/13/650326413.db2.gz NNKTXKCUOWUCLV-MRVPVSSYSA-N 0 3 259.762 2.168 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@]1(C)CCC[C@@H]1CC ZINC000908437990 637344851 /nfs/dbraw/zinc/34/48/51/637344851.db2.gz WKKSSVURAQIIRU-HOCLYGCPSA-N 0 3 264.413 2.274 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2sccc2C1 ZINC000876573470 650337343 /nfs/dbraw/zinc/33/73/43/650337343.db2.gz RWSIEVYGFVQSHN-JTQLQIEISA-N 0 3 270.785 2.103 20 30 CEEDHN C[C@@H](NC(=O)c1cc(C#N)ccc1F)C1=CCN(C)CC1 ZINC000831937116 637465127 /nfs/dbraw/zinc/46/51/27/637465127.db2.gz QOWXSJDECKRNDS-LLVKDONJSA-N 0 3 287.338 2.078 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)Cc1ccccc1F ZINC000876592875 650350118 /nfs/dbraw/zinc/35/01/18/650350118.db2.gz IQCCKIUJORUTTK-ZWNOBZJWSA-N 0 3 284.762 2.343 20 30 CEEDHN C=CCONC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000909286640 637681151 /nfs/dbraw/zinc/68/11/51/637681151.db2.gz WAPLEVHUHQPEGP-UHFFFAOYSA-N 0 3 259.309 2.138 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2ccc(F)cc21 ZINC000876631883 650368454 /nfs/dbraw/zinc/36/84/54/650368454.db2.gz YHCSLDCQSDUQGX-LLVKDONJSA-N 0 3 268.719 2.185 20 30 CEEDHN C#Cc1cccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000834903821 637982712 /nfs/dbraw/zinc/98/27/12/637982712.db2.gz SZWPVXZNXSJLAY-CVEARBPZSA-N 0 3 291.416 2.113 20 30 CEEDHN Nc1ccc2c(c1)CCC2=NNC[C@H]1CCSC1 ZINC000834978969 638008216 /nfs/dbraw/zinc/00/82/16/638008216.db2.gz DUOIUJZYHYSXKO-SNVBAGLBSA-N 0 3 261.394 2.262 20 30 CEEDHN CN1CCc2cc(C=NN[C@H]3CCOC3(C)C)ccc21 ZINC000835017930 638024664 /nfs/dbraw/zinc/02/46/64/638024664.db2.gz RXWPADVKHCTDMC-HNNXBMFYSA-N 0 3 273.380 2.170 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000876675427 650394213 /nfs/dbraw/zinc/39/42/13/650394213.db2.gz AOWUEACIZNDRAW-TUAOUCFPSA-N 0 3 288.819 2.118 20 30 CEEDHN CN(C)Cc1cccc(C(=O)OCC2(C#N)CC2)c1 ZINC000835414617 638243529 /nfs/dbraw/zinc/24/35/29/638243529.db2.gz HMXOOYVAKXJZEL-UHFFFAOYSA-N 0 3 258.321 2.209 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@@H](OCC)C(C)C ZINC000876699760 650405001 /nfs/dbraw/zinc/40/50/01/650405001.db2.gz HWPOTBREOSHVAS-NWDGAFQWSA-N 0 3 276.808 2.024 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1cnn(C)c1)C(C)(C)C ZINC000876701143 650405689 /nfs/dbraw/zinc/40/56/89/650405689.db2.gz NYDCOKIVIOGQRY-NWDGAFQWSA-N 0 3 298.818 2.093 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@@H](OC)C1(CC)CC ZINC000876703272 650406593 /nfs/dbraw/zinc/40/65/93/650406593.db2.gz JXQDTRQSQDXZNJ-QJPTWQEYSA-N 0 3 288.819 2.166 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCN(C)c1ccccc1 ZINC000876709687 650407705 /nfs/dbraw/zinc/40/77/05/650407705.db2.gz XYPXIDVTJKIBBF-AWEZNQCLSA-N 0 3 295.814 2.099 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)c1ccsc1C#N ZINC000911920678 638466000 /nfs/dbraw/zinc/46/60/00/638466000.db2.gz KDIQIKWJMYZRMM-UHFFFAOYSA-N 0 3 277.393 2.178 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1cc(F)ccc1F ZINC000836215852 638575156 /nfs/dbraw/zinc/57/51/56/638575156.db2.gz HQVMFHYRIYCNSS-UHFFFAOYSA-N 0 3 281.306 2.041 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000912182499 638599703 /nfs/dbraw/zinc/59/97/03/638599703.db2.gz IKJQCANEPNMNOA-INIZCTEOSA-N 0 3 298.390 2.172 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000912196673 638603370 /nfs/dbraw/zinc/60/33/70/638603370.db2.gz XEIGTPQVMVHNSJ-CQSZACIVSA-N 0 3 289.379 2.011 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CC[C@H](CC)CC1 ZINC000836491417 638649136 /nfs/dbraw/zinc/64/91/36/638649136.db2.gz RLMVKLNAISHOTN-SHTZXODSSA-N 0 3 279.428 2.210 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccnn1CCCC ZINC000912359634 638658246 /nfs/dbraw/zinc/65/82/46/638658246.db2.gz UARWEGJAKMBJMT-GFCCVEGCSA-N 0 3 264.373 2.305 20 30 CEEDHN CCOC(=O)[C@H](CCCC(C)C)NC(=O)C(C#N)CC ZINC000924847856 638761443 /nfs/dbraw/zinc/76/14/43/638761443.db2.gz FPZBPBJZNBVCCR-STQMWFEESA-N 0 3 282.384 2.410 20 30 CEEDHN C=CC(C)(C)CCCNC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000923966504 639043600 /nfs/dbraw/zinc/04/36/00/639043600.db2.gz ZSEXAXZSZCRCJY-CHWSQXEVSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CCC(F)(F)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000837190356 639108104 /nfs/dbraw/zinc/10/81/04/639108104.db2.gz LDTWLQSWCOFRQS-NSHDSACASA-N 0 3 260.328 2.139 20 30 CEEDHN C[C@H]1C[C@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877118614 639569253 /nfs/dbraw/zinc/56/92/53/639569253.db2.gz HZVVBZFRMQXVQO-JOYOIKCWSA-N 0 3 265.744 2.264 20 30 CEEDHN C#Cc1ccc(CN2CCSC[C@H](C(=O)OC)C2)cc1 ZINC000840978932 639608644 /nfs/dbraw/zinc/60/86/44/639608644.db2.gz XPCXKSVVYOJANP-OAHLLOKOSA-N 0 3 289.400 2.006 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC2(CCC2)CC1 ZINC000876984153 650519106 /nfs/dbraw/zinc/51/91/06/650519106.db2.gz BPWFXGWHRGHQPZ-LLVKDONJSA-N 0 3 256.777 2.249 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCO[C@H]3CC)CCC[C@@H]12 ZINC000991951552 639905527 /nfs/dbraw/zinc/90/55/27/639905527.db2.gz CMRWSOFCGFRDHQ-JYYAWHABSA-N 0 3 292.423 2.101 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CC)CCC[C@@H]12 ZINC000992265794 640008785 /nfs/dbraw/zinc/00/87/85/640008785.db2.gz NYJQWYFGVOSEED-KQTLUZQSSA-N 0 3 262.397 2.332 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CC34CCC4)CCC[C@H]12 ZINC000992290708 640016482 /nfs/dbraw/zinc/01/64/82/640016482.db2.gz MSKOOWBUMGCPCK-GRDNDAEWSA-N 0 3 274.408 2.476 20 30 CEEDHN CC[C@@H](O)CCCNCc1cc(C#N)cnc1Cl ZINC000877054769 650551129 /nfs/dbraw/zinc/55/11/29/650551129.db2.gz LDMBGBMQLVFSNK-GFCCVEGCSA-N 0 3 267.760 2.247 20 30 CEEDHN CCC[C@@H](CCO)CNCc1cc(C#N)cnc1Cl ZINC000877065358 650555524 /nfs/dbraw/zinc/55/55/24/650555524.db2.gz KXQPHBIYTLDELB-NSHDSACASA-N 0 3 281.787 2.495 20 30 CEEDHN C#CCN(C(=O)N[C@H]1CCC[C@@H](C)C1)C1CCN(C)CC1 ZINC000914201023 640269349 /nfs/dbraw/zinc/26/93/49/640269349.db2.gz UZYUEOZAYSZAFN-CABCVRRESA-N 0 3 291.439 2.304 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C)no2)[C@@H]1C ZINC000993032428 640408809 /nfs/dbraw/zinc/40/88/09/640408809.db2.gz RJPAINSDUWSLIO-QWHCGFSZSA-N 0 3 277.368 2.142 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnn(CC)c2)[C@H]1C ZINC000993166951 640499915 /nfs/dbraw/zinc/49/99/15/640499915.db2.gz DFGKOSMGLIVASM-UKRRQHHQSA-N 0 3 290.411 2.062 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1cccs1 ZINC000193367658 640515051 /nfs/dbraw/zinc/51/50/51/640515051.db2.gz JUXLNVATOZYCPH-LBPRGKRZSA-N 0 3 278.377 2.306 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc[nH]c2C)[C@H]1C ZINC000993219936 640561745 /nfs/dbraw/zinc/56/17/45/640561745.db2.gz UGARTXWBCQPHMR-HIFRSBDPSA-N 0 3 275.396 2.482 20 30 CEEDHN C#C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000843967199 640566343 /nfs/dbraw/zinc/56/63/43/640566343.db2.gz JQOURIFLDBDVKO-LZWOXQAQSA-N 0 3 270.376 2.350 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccoc2CC)[C@H]1C ZINC000993271214 640571295 /nfs/dbraw/zinc/57/12/95/640571295.db2.gz WKZFIQJRYWCZEQ-UKRRQHHQSA-N 0 3 288.391 2.448 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2coc(C)c2)[C@H]1C ZINC000993299377 640575039 /nfs/dbraw/zinc/57/50/39/640575039.db2.gz ICZSPBQQRWYLBG-UKRRQHHQSA-N 0 3 274.364 2.194 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2onc(C)c2C)[C@@H]1C ZINC000993474462 640648325 /nfs/dbraw/zinc/64/83/25/640648325.db2.gz ZBRPUKBEYKBHRW-KBPBESRZSA-N 0 3 291.395 2.450 20 30 CEEDHN C=CCN1CCC[C@H](NC(=O)Cc2cncc(C)c2)[C@H]1C ZINC000993642113 640661409 /nfs/dbraw/zinc/66/14/09/640661409.db2.gz MFRZUOKMBAHIFI-ZBFHGGJFSA-N 0 3 287.407 2.088 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2=CCOCC2)[C@H]1C ZINC000993738598 640671609 /nfs/dbraw/zinc/67/16/09/640671609.db2.gz DLLZLTURJVNVKP-ZBFHGGJFSA-N 0 3 292.423 2.268 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2csc(C)n2)[C@H]1C ZINC000993734241 640676043 /nfs/dbraw/zinc/67/60/43/640676043.db2.gz SVXDWELIYCXMCX-DGCLKSJQSA-N 0 3 291.420 2.058 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCN(CC)[C@@H]2C)C1 ZINC000993789610 640676244 /nfs/dbraw/zinc/67/62/44/640676244.db2.gz MLFUYHUWNCRBGZ-CHWSQXEVSA-N 0 3 250.386 2.332 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCN(CC(=C)C)[C@H]2C)cn1 ZINC000994244207 640727350 /nfs/dbraw/zinc/72/73/50/640727350.db2.gz CEDFDWLBFBJKPK-WMLDXEAASA-N 0 3 297.402 2.222 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001015749536 640815145 /nfs/dbraw/zinc/81/51/45/640815145.db2.gz MKRVXLMOAKNKMZ-CQSZACIVSA-N 0 3 294.757 2.307 20 30 CEEDHN CC(=O)N[C@H]1CC[C@H](CNCc2cc(F)ccc2C#N)C1 ZINC000994540054 640919115 /nfs/dbraw/zinc/91/91/15/640919115.db2.gz KAXGNRVJPZMEFJ-LRDDRELGSA-N 0 3 289.354 2.092 20 30 CEEDHN Cc1cc(C#N)cc(C)c1CN[C@H](C(N)=O)C(C)(C)C ZINC000930011260 640944661 /nfs/dbraw/zinc/94/46/61/640944661.db2.gz BDZOZAOMDQAFSQ-CQSZACIVSA-N 0 3 273.380 2.165 20 30 CEEDHN C=C(C)CONC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000845603954 641012684 /nfs/dbraw/zinc/01/26/84/641012684.db2.gz REJFNASVOIPDKZ-HUUCEWRRSA-N 0 3 289.379 2.239 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)OC[C@H]1CCN1C(C)(C)C 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CC(C)CN1CCO[C@H](CNCc2csc(C#N)c2)C1 ZINC000921491233 641287614 /nfs/dbraw/zinc/28/76/14/641287614.db2.gz FCRLKLCGERQAPG-CQSZACIVSA-N 0 3 293.436 2.066 20 30 CEEDHN COc1ccc(NC(=O)C2(NC3CC3)CCC2)cc1C#N ZINC000877272232 650649511 /nfs/dbraw/zinc/64/95/11/650649511.db2.gz SVYGUPWSOWMINZ-UHFFFAOYSA-N 0 3 285.347 2.180 20 30 CEEDHN COCCN1[C@H](C)CN(c2ccc(C#N)cc2C)C[C@@H]1C ZINC000846755007 641413699 /nfs/dbraw/zinc/41/36/99/641413699.db2.gz CACFDVAQGRQVJD-GASCZTMLSA-N 0 3 287.407 2.412 20 30 CEEDHN COCCNC(=O)C(C#N)C(=O)CCC1CCCCCC1 ZINC000847624988 641708568 /nfs/dbraw/zinc/70/85/68/641708568.db2.gz ZLXMDCKAUWGXRA-CQSZACIVSA-N 0 3 294.395 2.208 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001015880993 641888688 /nfs/dbraw/zinc/88/86/88/641888688.db2.gz WOQQIAQWFVDOTR-SJORKVTESA-N 0 3 296.414 2.320 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001015960895 642110119 /nfs/dbraw/zinc/11/01/19/642110119.db2.gz BXFIPIAMOBLRRV-ZDUSSCGKSA-N 0 3 290.411 2.222 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001015960895 642110125 /nfs/dbraw/zinc/11/01/25/642110125.db2.gz BXFIPIAMOBLRRV-ZDUSSCGKSA-N 0 3 290.411 2.222 20 30 CEEDHN C=CCSCCNCc1ccc(/C=C\C(=O)OC)o1 ZINC000848895828 642176043 /nfs/dbraw/zinc/17/60/43/642176043.db2.gz PDSSKZJQZOLQLE-SREVYHEPSA-N 0 3 281.377 2.475 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(C)c(C)n2)CC1 ZINC000997225793 642233447 /nfs/dbraw/zinc/23/34/47/642233447.db2.gz SRBQYUATTGQXPN-OAHLLOKOSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)C2CCCC2)CC1 ZINC000997455322 642265980 /nfs/dbraw/zinc/26/59/80/642265980.db2.gz KUJDRNWLFHXKOH-ZDUSSCGKSA-N 0 3 262.397 2.027 20 30 CEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccc(C)o2)CC1 ZINC000997468660 642269955 /nfs/dbraw/zinc/26/99/55/642269955.db2.gz SLBDLGVXDQQUGB-AWEZNQCLSA-N 0 3 288.391 2.442 20 30 CEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccoc2)CC1 ZINC000997485726 642280834 /nfs/dbraw/zinc/28/08/34/642280834.db2.gz UNYSNWPIOIMLNY-ZDUSSCGKSA-N 0 3 274.364 2.133 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc[nH]c2CC)CC1 ZINC000997576724 642308695 /nfs/dbraw/zinc/30/86/95/642308695.db2.gz SAXOZVQXXQTAPK-ZDUSSCGKSA-N 0 3 287.407 2.041 20 30 CEEDHN C=CCN1CCC[C@@H](N(CC)C(=O)c2cnsn2)CC1 ZINC000997940263 642344504 /nfs/dbraw/zinc/34/45/04/642344504.db2.gz NLJMYYLDWMYLEV-GFCCVEGCSA-N 0 3 294.424 2.041 20 30 CEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cc[nH]c2C)CC1 ZINC000997970439 642349075 /nfs/dbraw/zinc/34/90/75/642349075.db2.gz MLLXOTPFUMTUHI-HNNXBMFYSA-N 0 3 287.407 2.273 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccc(OC)o2)C1 ZINC000999600682 642500480 /nfs/dbraw/zinc/50/04/80/642500480.db2.gz ZAFPIYLCJISPCC-UHFFFAOYSA-N 0 3 298.770 2.233 20 30 CEEDHN CC(=O)NC1(C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001000045013 642527544 /nfs/dbraw/zinc/52/75/44/642527544.db2.gz BCTFPOOAPPGBGC-UHFFFAOYSA-N 0 3 297.402 2.439 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC001000236053 642562153 /nfs/dbraw/zinc/56/21/53/642562153.db2.gz MPYDXYJOZRIHDG-FICVDOATSA-N 0 3 286.419 2.027 20 30 CEEDHN CC1(CNCc2ccc(C3(C#N)CC3)cc2)OCCO1 ZINC000850234359 642633182 /nfs/dbraw/zinc/63/31/82/642633182.db2.gz TZEXGIBUQMVRFO-UHFFFAOYSA-N 0 3 272.348 2.094 20 30 CEEDHN C#C[C@H](NCc1cccn(C(F)F)c1=O)C(C)(C)C ZINC000877534395 650772862 /nfs/dbraw/zinc/77/28/62/650772862.db2.gz HTDPTLKWHWZNAV-NSHDSACASA-N 0 3 268.307 2.381 20 30 CEEDHN N#Cc1ccc(CNCC[S@@](=O)CC(F)(F)F)s1 ZINC000850348860 642675692 /nfs/dbraw/zinc/67/56/92/642675692.db2.gz WHSDWRSCHGLHQS-GOSISDBHSA-N 0 3 296.339 2.020 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2occc2CC)CC1 ZINC001001120924 642689502 /nfs/dbraw/zinc/68/95/02/642689502.db2.gz NBLXMCIUSLDYEP-UHFFFAOYSA-N 0 3 274.364 2.390 20 30 CEEDHN N#Cc1ccc2ncc(CNCC3SCCS3)n2c1 ZINC000850401803 642700872 /nfs/dbraw/zinc/70/08/72/642700872.db2.gz VWHSOIJRJPSXKP-UHFFFAOYSA-N 0 3 290.417 2.102 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2coc(C3CC3)n2)CC1 ZINC001001234574 642703049 /nfs/dbraw/zinc/70/30/49/642703049.db2.gz ICONTSGRJQWSCJ-UHFFFAOYSA-N 0 3 287.363 2.100 20 30 CEEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCO[C@@H](CC)C2)CC1 ZINC001001352786 642714780 /nfs/dbraw/zinc/71/47/80/642714780.db2.gz BNNRRTLNHUMWHA-HOTGVXAUSA-N 0 3 292.423 2.126 20 30 CEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCCC[C@@H]2OC)CC1 ZINC001001487729 642726974 /nfs/dbraw/zinc/72/69/74/642726974.db2.gz GTDOSUVGJHHFBK-CVEARBPZSA-N 0 3 292.423 2.126 20 30 CEEDHN Cc1ccc([C@@H]2C[C@H]2C(=O)C(C#N)C(=O)NC2CC2)cc1C ZINC000850760136 642776456 /nfs/dbraw/zinc/77/64/56/642776456.db2.gz WFSKTQBHINORRR-ARFHVFGLSA-N 0 3 296.370 2.394 20 30 CEEDHN C[C@H](CCO)CCNCc1cc(C#N)cnc1Cl ZINC000877557977 650787979 /nfs/dbraw/zinc/78/79/79/650787979.db2.gz ZNFQTLWEGDFWND-JTQLQIEISA-N 0 3 267.760 2.105 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cc(C)cnc1Cl ZINC000921968510 642815917 /nfs/dbraw/zinc/81/59/17/642815917.db2.gz XYFMKPYCOMIIOD-LLVKDONJSA-N 0 3 254.761 2.318 20 30 CEEDHN COC[C@H](OC)C(=O)C(C#N)c1nccc2ccccc21 ZINC000850986871 642866262 /nfs/dbraw/zinc/86/62/62/642866262.db2.gz SUXIBISZQZUVNM-KGLIPLIRSA-N 0 3 284.315 2.072 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(Cl)c(C)nn1C ZINC000922091008 642875674 /nfs/dbraw/zinc/87/56/74/642875674.db2.gz ZWFUBCOZZNITRZ-RISCZKNCSA-N 0 3 283.803 2.453 20 30 CEEDHN C[S@](=O)C1(CNCc2csc(C#N)c2)CCC1 ZINC000922094872 642877033 /nfs/dbraw/zinc/87/70/33/642877033.db2.gz SSAXSMMXCJDLQB-KRWDZBQOSA-N 0 3 268.407 2.011 20 30 CEEDHN CC(COC(=O)CC1(C#N)CCCCC1)[N+](=O)[O-] ZINC000851037332 642890408 /nfs/dbraw/zinc/89/04/08/642890408.db2.gz TXBBZKZPSIKRMT-JTQLQIEISA-N 0 3 254.286 2.059 20 30 CEEDHN C#CCN(C(=O)NC[C@@H]1N(C)CCCC1(C)C)C(C)C ZINC000922259453 642988463 /nfs/dbraw/zinc/98/84/63/642988463.db2.gz ZBVKJEAJKBTLJI-AWEZNQCLSA-N 0 3 279.428 2.160 20 30 CEEDHN N#CC1(c2ccc(CNCC3OCCCO3)cc2)CC1 ZINC000922280260 642997860 /nfs/dbraw/zinc/99/78/60/642997860.db2.gz ZUJAXCKRRZELKQ-UHFFFAOYSA-N 0 3 272.348 2.094 20 30 CEEDHN C#CC[C@H]1CCCN(Cc2ccc(C(=O)OCC)[nH]2)C1 ZINC000877604464 650810498 /nfs/dbraw/zinc/81/04/98/650810498.db2.gz BUDDYHZQCLZCNR-ZDUSSCGKSA-N 0 3 274.364 2.427 20 30 CEEDHN CCN1CCC[C@@H](NCc2ccc(C3(C#N)CC3)cc2)C1=O ZINC000922639873 643173767 /nfs/dbraw/zinc/17/37/67/643173767.db2.gz SQQMUZVKJURVDT-MRXNPFEDSA-N 0 3 297.402 2.342 20 30 CEEDHN C#CCOCCN[C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000851921141 643225339 /nfs/dbraw/zinc/22/53/39/643225339.db2.gz KOONGBUTSMDKAE-INIZCTEOSA-N 0 3 289.375 2.309 20 30 CEEDHN C#C[C@@](C)(CC)NCC(=O)N1CCCC[C@@H]1CC ZINC000852098627 643301861 /nfs/dbraw/zinc/30/18/61/643301861.db2.gz RNVINQMQPXFNAX-ZFWWWQNUSA-N 0 3 250.386 2.169 20 30 CEEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1C ZINC000852098990 643301905 /nfs/dbraw/zinc/30/19/05/643301905.db2.gz ARUCREKNCCHDBN-PBHICJAKSA-N 0 3 272.392 2.391 20 30 CEEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1cccs1 ZINC000852098689 643302127 /nfs/dbraw/zinc/30/21/27/643302127.db2.gz SWOWGPZJJKOCIX-IUODEOHRSA-N 0 3 278.421 2.187 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(c2cc(F)ncn2)CC1 ZINC000852132784 643321019 /nfs/dbraw/zinc/32/10/19/643321019.db2.gz HRFKDULXAUNQKL-CYBMUJFWSA-N 0 3 278.375 2.483 20 30 CEEDHN C#CCNC(=O)CN1CCC[C@H]1c1c(C)cccc1C ZINC000852312087 643389721 /nfs/dbraw/zinc/38/97/21/643389721.db2.gz VDBUZDJEXSZNQB-HNNXBMFYSA-N 0 3 270.376 2.190 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)C2CC(C)C2)CC1 ZINC001005241264 643396853 /nfs/dbraw/zinc/39/68/53/643396853.db2.gz WHITWHFBBUGLGP-UHFFFAOYSA-N 0 3 250.386 2.141 20 30 CEEDHN C=C(Br)CN[C@H](CO)[C@H]1CCC[C@@H](OC)C1 ZINC000852351449 643403969 /nfs/dbraw/zinc/40/39/69/643403969.db2.gz OAMJPRUQUYHQDL-QJPTWQEYSA-N 0 3 292.217 2.051 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2ccnn2C(C)C)CC1 ZINC001005448806 643408231 /nfs/dbraw/zinc/40/82/31/643408231.db2.gz QOOWUFGYNWYFML-UHFFFAOYSA-N 0 3 290.411 2.186 20 30 CEEDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)ccc1F ZINC000923264356 643627648 /nfs/dbraw/zinc/62/76/48/643627648.db2.gz HAGRQQJBQFYOHI-QWHCGFSZSA-N 0 3 287.338 2.006 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 ZINC001006126386 643752388 /nfs/dbraw/zinc/75/23/88/643752388.db2.gz DQOULJAVBFRFJQ-HOTGVXAUSA-N 0 3 292.423 2.076 20 30 CEEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(OC)o2)CC1 ZINC001006181613 643778429 /nfs/dbraw/zinc/77/84/29/643778429.db2.gz SFIRHJWYVLDLRX-UHFFFAOYSA-N 0 3 292.379 2.401 20 30 CEEDHN C#C[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)C(C)C ZINC000838595103 643977490 /nfs/dbraw/zinc/97/74/90/643977490.db2.gz GFLCFXWITBARCZ-INIZCTEOSA-N 0 3 291.439 2.304 20 30 CEEDHN C#C[C@H](CC)NC(=O)N(CCC)CCN1CCCCC1 ZINC000854077131 643979494 /nfs/dbraw/zinc/97/94/94/643979494.db2.gz KKLOJYXBVHGDAJ-OAHLLOKOSA-N 0 3 279.428 2.306 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](OC(=O)C2CCN(C3CC3)CC2)C1 ZINC000839058316 644134030 /nfs/dbraw/zinc/13/40/30/644134030.db2.gz JYDWLLMEHVONIX-IUODEOHRSA-N 0 3 276.380 2.486 20 30 CEEDHN N#C[C@H]1CCC[C@@H](OC(=O)C2CCN(C3CC3)CC2)C1 ZINC000839058320 644134183 /nfs/dbraw/zinc/13/41/83/644134183.db2.gz JYDWLLMEHVONIX-SWLSCSKDSA-N 0 3 276.380 2.486 20 30 CEEDHN CS[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000103330034 644187577 /nfs/dbraw/zinc/18/75/77/644187577.db2.gz MOQWCILCZMVPOB-CMPLNLGQSA-N 0 3 276.361 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/nfs/dbraw/zinc/28/01/04/807280104.db2.gz AMVQSDNWVLGBTA-HIFRSBDPSA-N 0 3 298.390 2.103 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)C1CC1)C2 ZINC001045926535 807292869 /nfs/dbraw/zinc/29/28/69/807292869.db2.gz GGXYINFQKTZTOX-MAUKXSAKSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(F)cc2F)[C@H]1C ZINC001089016422 807311239 /nfs/dbraw/zinc/31/12/39/807311239.db2.gz ZHTZFDIGYQQCKX-ABAIWWIYSA-N 0 3 292.329 2.181 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)Cc2cccc(F)c2)[C@H]1C ZINC001089022626 807314001 /nfs/dbraw/zinc/31/40/01/807314001.db2.gz FQDKXPMZIIBTRN-DOMZBBRYSA-N 0 3 276.355 2.133 20 30 CEEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCC(C)(C)CN1CCO ZINC001099093061 807324938 /nfs/dbraw/zinc/32/49/38/807324938.db2.gz LTDSPQDZHGCEDV-CQSZACIVSA-N 0 3 296.455 2.188 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2coc(C(F)F)c2)C1 ZINC001046580613 807651002 /nfs/dbraw/zinc/65/10/02/807651002.db2.gz ZXANCVLAZAMXKL-HNNXBMFYSA-N 0 3 296.317 2.435 20 30 CEEDHN C=CCN1CCC2(CC1)CN(C(=O)CCCC)C[C@@H](C)O2 ZINC001111534082 807664940 /nfs/dbraw/zinc/66/49/40/807664940.db2.gz RORSHFGUQWQDCZ-OAHLLOKOSA-N 0 3 294.439 2.445 20 30 CEEDHN C#CC[C@@H](COC)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000716801921 815148376 /nfs/dbraw/zinc/14/83/76/815148376.db2.gz WBQAVPOCARZTSS-LBPRGKRZSA-N 0 3 295.766 2.239 20 30 CEEDHN C#CC[C@@H](COC)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000716813660 815150193 /nfs/dbraw/zinc/15/01/93/815150193.db2.gz YUKFFNWRPXWWGE-ZDUSSCGKSA-N 0 3 262.309 2.031 20 30 CEEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cc[nH]c1 ZINC001272645281 807864552 /nfs/dbraw/zinc/86/45/52/807864552.db2.gz ZSHOCBSWRDVPGA-INIZCTEOSA-N 0 3 273.380 2.158 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001119777764 815158611 /nfs/dbraw/zinc/15/86/11/815158611.db2.gz VAWYGLVOLNDXEO-KBMXLJTQSA-N 0 3 277.364 2.114 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H](C)c1ccccc1 ZINC000130580831 807972637 /nfs/dbraw/zinc/97/26/37/807972637.db2.gz PVXCRLFFEIJYQI-GXTWGEPZSA-N 0 3 272.348 2.414 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C2(C)CCC2)CC(C)(C)C1 ZINC001089457927 807995156 /nfs/dbraw/zinc/99/51/56/807995156.db2.gz AJECTWKXNMONHU-CQSZACIVSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CC23CC3)CC(C)(C)C1 ZINC001089503220 808014715 /nfs/dbraw/zinc/01/47/15/808014715.db2.gz TUWZHRHFNGKADZ-ZIAGYGMSSA-N 0 3 274.408 2.027 20 30 CEEDHN N#Cc1c[nH]c(C(=O)NCC2CN(CC3=CCCCC3)C2)c1 ZINC001031603787 808017590 /nfs/dbraw/zinc/01/75/90/808017590.db2.gz XIGYVVJTSASAAR-UHFFFAOYSA-N 0 3 298.390 2.048 20 30 CEEDHN Cc1cccc(CCC(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000130751228 808066746 /nfs/dbraw/zinc/06/67/46/808066746.db2.gz CPXMEPUIZLXHAX-CQSZACIVSA-N 0 3 272.348 2.161 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001031839742 808165595 /nfs/dbraw/zinc/16/55/95/808165595.db2.gz NHXDRZOLLDFUHB-UHFFFAOYSA-N 0 3 291.395 2.210 20 30 CEEDHN C#CCCN1CC(CNC(=O)[C@@H]2CCCC[C@H]2CC)C1 ZINC001032090089 808278007 /nfs/dbraw/zinc/27/80/07/808278007.db2.gz PVTKGUQBIDPNHK-HZPDHXFCSA-N 0 3 276.424 2.274 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2ccc(C(F)F)o2)C1 ZINC001032157583 808311148 /nfs/dbraw/zinc/31/11/48/808311148.db2.gz ZEILWONJAMATDU-UHFFFAOYSA-N 0 3 284.306 2.455 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC=CCC1 ZINC001032274703 808379885 /nfs/dbraw/zinc/37/98/85/808379885.db2.gz KPIYFICYSQWCID-KKUMJFAQSA-N 0 3 260.381 2.204 20 30 CEEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001077743481 808556986 /nfs/dbraw/zinc/55/69/86/808556986.db2.gz YMRWBULSWXDBBP-HZPDHXFCSA-N 0 3 294.439 2.084 20 30 CEEDHN Cc1cccnc1[C@@H](C)NC[C@@H](O)CC1(C#N)CC1 ZINC001120476984 815226322 /nfs/dbraw/zinc/22/63/22/815226322.db2.gz JWJPAORLTOYEMK-OLZOCXBDSA-N 0 3 259.353 2.095 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CC1 ZINC001032527347 808681760 /nfs/dbraw/zinc/68/17/60/808681760.db2.gz WFVJVNAORDTFAC-KBPBESRZSA-N 0 3 262.397 2.428 20 30 CEEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC)cc1 ZINC001032555655 808695344 /nfs/dbraw/zinc/69/53/44/808695344.db2.gz XYFRYNWHHFQIMU-IRXDYDNUSA-N 0 3 282.387 2.367 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C1CC1 ZINC001032591435 808717306 /nfs/dbraw/zinc/71/73/06/808717306.db2.gz VURUGOUZZUNFFI-KBPBESRZSA-N 0 3 285.391 2.367 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)C3CC(C)(C)C3)CC2)CC1 ZINC001000145669 808820692 /nfs/dbraw/zinc/82/06/92/808820692.db2.gz FJLFNBMUVRQOSS-UHFFFAOYSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccc1 ZINC001032749232 808829551 /nfs/dbraw/zinc/82/95/51/808829551.db2.gz XTRAAGPBDBAVLO-IRXDYDNUSA-N 0 3 284.403 2.480 20 30 CEEDHN C#CCN1CC[C@@]2(CCCN2Cc2cccc(C)c2)C1=O ZINC001272906665 808856298 /nfs/dbraw/zinc/85/62/98/808856298.db2.gz BOGGVIYFKKTRDE-SFHVURJKSA-N 0 3 282.387 2.195 20 30 CEEDHN C#C[C@@H](C)NC[C@H](O)COc1ccccc1C(F)(F)F ZINC001120583135 815241453 /nfs/dbraw/zinc/24/14/53/815241453.db2.gz MRPSDDGCKAWHDF-MNOVXSKESA-N 0 3 287.281 2.056 20 30 CEEDHN C=CCN1CCC2(CCN(Cc3ccc[nH]3)CC2)C1=O ZINC001272925579 808884515 /nfs/dbraw/zinc/88/45/15/808884515.db2.gz HEAYVSUAPLPZJY-UHFFFAOYSA-N 0 3 273.380 2.015 20 30 CEEDHN C[C@H](c1ccccc1)[C@H](O)CNCC#C[C@H]1CCCCO1 ZINC001120611745 815246534 /nfs/dbraw/zinc/24/65/34/815246534.db2.gz VQQVSBXGVUPEMD-KBAYOESNSA-N 0 3 287.403 2.313 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)Cc1ccc(OC)cc1 ZINC001171908646 815249846 /nfs/dbraw/zinc/24/98/46/815249846.db2.gz XNIANWTWXBKGGK-UHFFFAOYSA-N 0 3 296.798 2.086 20 30 CEEDHN C#CCN1CC[C@]2(CCCN2Cc2ccc(C)cc2)C1=O ZINC001272971404 809030098 /nfs/dbraw/zinc/03/00/98/809030098.db2.gz ICDYQBQKRUKKDE-GOSISDBHSA-N 0 3 282.387 2.195 20 30 CEEDHN C=C(C)CCC(=O)NCCNCc1cnn(C(C)(C)C)c1 ZINC001128409129 809046197 /nfs/dbraw/zinc/04/61/97/809046197.db2.gz USIRNKUMDMVQSW-UHFFFAOYSA-N 0 3 292.427 2.200 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccoc2CC)C1 ZINC001033052841 809159798 /nfs/dbraw/zinc/15/97/98/809159798.db2.gz WJZUQWBIZATDAK-ZDUSSCGKSA-N 0 3 274.364 2.012 20 30 CEEDHN C[C@@H]1C[C@@H](NCc2ccccc2C#N)CCN1C(=O)C1CC1 ZINC001044408888 809166588 /nfs/dbraw/zinc/16/65/88/809166588.db2.gz RZROAOYGLDIWCC-DYVFJYSZSA-N 0 3 297.402 2.437 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccnn2CCC)C1 ZINC001033117487 809189983 /nfs/dbraw/zinc/18/99/83/809189983.db2.gz QJEDLRYNJPFRBP-CQSZACIVSA-N 0 3 290.411 2.016 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2cnccc2C)C1 ZINC001033158156 809204306 /nfs/dbraw/zinc/20/43/06/809204306.db2.gz IHYGMDDXXLOEMG-INIZCTEOSA-N 0 3 287.407 2.041 20 30 CEEDHN C=C(C)[C@H](CC(=O)NCCNCc1ccsc1)OCC ZINC001128540602 809217826 /nfs/dbraw/zinc/21/78/26/809217826.db2.gz ZFWZDOGWMUQICO-AWEZNQCLSA-N 0 3 296.436 2.325 20 30 CEEDHN C#CCNC1(CNC(=O)c2ccc(C)c(F)c2)CCC1 ZINC001273113679 809232355 /nfs/dbraw/zinc/23/23/55/809232355.db2.gz JTTJSOCOBUJQQX-UHFFFAOYSA-N 0 3 274.339 2.009 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccn3ccccc23)C1 ZINC001033256208 809248688 /nfs/dbraw/zinc/24/86/88/809248688.db2.gz QLURRUIRDCTHHR-HNNXBMFYSA-N 0 3 295.386 2.109 20 30 CEEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001033278777 809256909 /nfs/dbraw/zinc/25/69/09/809256909.db2.gz RHEAQNNFNHYSLI-KKUMJFAQSA-N 0 3 262.397 2.141 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2(C)CCCC2)C1 ZINC001033307148 809263160 /nfs/dbraw/zinc/26/31/60/809263160.db2.gz UODVODUGQAJHRP-CQSZACIVSA-N 0 3 262.397 2.123 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001033327101 809270574 /nfs/dbraw/zinc/27/05/74/809270574.db2.gz CEGQBPGCAHWNAP-CVEARBPZSA-N 0 3 274.408 2.289 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)n(C)c2C)C1 ZINC001033646107 809371801 /nfs/dbraw/zinc/37/18/01/809371801.db2.gz KEDOKDVKKCZZMF-HNNXBMFYSA-N 0 3 289.423 2.364 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001033696863 809383987 /nfs/dbraw/zinc/38/39/87/809383987.db2.gz ZATFCIORBIBBJH-NEXGVSGLSA-N 0 3 288.435 2.387 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C(=O)CC2CCC(OC)CC2)C1 ZINC001033714367 809389348 /nfs/dbraw/zinc/38/93/48/809389348.db2.gz ZALMPIRYOLAECD-HWOWSKLDSA-N 0 3 294.439 2.300 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(F)cc2)C1 ZINC001033732235 809398029 /nfs/dbraw/zinc/39/80/29/809398029.db2.gz IPQXECABMZOXGH-MRXNPFEDSA-N 0 3 288.366 2.385 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccsc2)C1 ZINC001033753822 809406538 /nfs/dbraw/zinc/40/65/38/809406538.db2.gz ZAIAXSMUTPURDC-AWEZNQCLSA-N 0 3 276.405 2.308 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(F)cn2)C1 ZINC001033809879 809423030 /nfs/dbraw/zinc/42/30/30/809423030.db2.gz IXBFAWJOWBTYRQ-AWEZNQCLSA-N 0 3 291.370 2.333 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001033858696 809436170 /nfs/dbraw/zinc/43/61/70/809436170.db2.gz ZDXRMTFIFGZWBK-KGLIPLIRSA-N 0 3 298.377 2.368 20 30 CEEDHN CC#CCNCCNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC001128774214 809444551 /nfs/dbraw/zinc/44/45/51/809444551.db2.gz PDHQXCNYVMRCKU-UHFFFAOYSA-N 0 3 290.794 2.101 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C)[nH]c2C)C1 ZINC001033966967 809464584 /nfs/dbraw/zinc/46/45/84/809464584.db2.gz CKTSBFXKWPXXTH-OAHLLOKOSA-N 0 3 287.407 2.191 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCCO[C@H]2CC)CC1 ZINC001005490574 809465495 /nfs/dbraw/zinc/46/54/95/809465495.db2.gz CSVVFRCFQOJSGI-HOTGVXAUSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C(C)=C2CCCC2)[C@H](O)C1 ZINC001090187467 809507398 /nfs/dbraw/zinc/50/73/98/809507398.db2.gz XDZFOLWJUXCIIK-HZPDHXFCSA-N 0 3 292.423 2.004 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC001034208681 809551901 /nfs/dbraw/zinc/55/19/01/809551901.db2.gz ZAWMYUBAGULAIF-HNNXBMFYSA-N 0 3 299.418 2.270 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001034211110 809553207 /nfs/dbraw/zinc/55/32/07/809553207.db2.gz XTEYQSJPOXYNGL-PMPSAXMXSA-N 0 3 294.439 2.204 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccn3nccc23)C1 ZINC001034289080 809572104 /nfs/dbraw/zinc/57/21/04/809572104.db2.gz RLPSAXCLOUMOTN-CQSZACIVSA-N 0 3 298.390 2.105 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc3n[nH]cc32)C1 ZINC001034336882 809581711 /nfs/dbraw/zinc/58/17/11/809581711.db2.gz QMNVCNPSTCBURZ-ZDUSSCGKSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001034368497 809588063 /nfs/dbraw/zinc/58/80/63/809588063.db2.gz KPZCRMFZEOEHHP-OAHLLOKOSA-N 0 3 298.390 2.333 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC001034444265 809608659 /nfs/dbraw/zinc/60/86/59/809608659.db2.gz OOWIMSHWYVWJAP-CQSZACIVSA-N 0 3 290.411 2.187 20 30 CEEDHN N#Cc1ccc(CNC[C@H]2CCCN2C(=O)C2CC2)s1 ZINC001034838147 809704117 /nfs/dbraw/zinc/70/41/17/809704117.db2.gz OSFPFYJHBBMQTN-GFCCVEGCSA-N 0 3 289.404 2.110 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H](F)C1)CC2 ZINC001035777548 809817199 /nfs/dbraw/zinc/81/71/99/809817199.db2.gz LQVZTLUHINEUHV-HUUCEWRRSA-N 0 3 292.398 2.072 20 30 CEEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCCCN1C ZINC001121244280 815323316 /nfs/dbraw/zinc/32/33/16/815323316.db2.gz ATECPTAVIIUTCZ-AWEZNQCLSA-N 0 3 250.386 2.355 20 30 CEEDHN CCOC1CCC(NCc2nc(C#N)cs2)CC1 ZINC000707358059 809897813 /nfs/dbraw/zinc/89/78/13/809897813.db2.gz 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811687218 /nfs/dbraw/zinc/68/72/18/811687218.db2.gz VZQCSAANAMIPFF-MRXNPFEDSA-N 0 3 258.365 2.457 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(C)nc2)C1 ZINC001046143448 811694939 /nfs/dbraw/zinc/69/49/39/811694939.db2.gz JGXLFVUDERGQQO-MRXNPFEDSA-N 0 3 273.380 2.160 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001046225850 811714979 /nfs/dbraw/zinc/71/49/79/811714979.db2.gz GUCBQUKLKUKIFG-KRWDZBQOSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cc(C)cs2)C1 ZINC001046300211 811732183 /nfs/dbraw/zinc/73/21/83/811732183.db2.gz VSDBKMHSFZCVRW-OAHLLOKOSA-N 0 3 276.405 2.274 20 30 CEEDHN C=C(C)CCN1CC[C@](C)(NC(=O)c2ccns2)C1 ZINC001046356173 811741753 /nfs/dbraw/zinc/74/17/53/811741753.db2.gz QSPXWGPFVSYYTR-AWEZNQCLSA-N 0 3 279.409 2.304 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001046368739 811745248 /nfs/dbraw/zinc/74/52/48/811745248.db2.gz HQNJOKADJFKRGG-QGZVFWFLSA-N 0 3 285.391 2.110 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)[C@H]2CCCC23CC3)C1 ZINC001046417258 811752999 /nfs/dbraw/zinc/75/29/99/811752999.db2.gz JMIBEXPQKRJDFQ-HIFRSBDPSA-N 0 3 262.397 2.333 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cncc(CC)c2)C1 ZINC001046488477 811760858 /nfs/dbraw/zinc/76/08/58/811760858.db2.gz NXPVKAXMIVVVSS-KRWDZBQOSA-N 0 3 287.407 2.414 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)C2CC3(CCC3)C2)C1 ZINC001046550428 811774081 /nfs/dbraw/zinc/77/40/81/811774081.db2.gz HFORBFBAOUYJNM-MRXNPFEDSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccn(CC)c2C)C1 ZINC001046565521 811775093 /nfs/dbraw/zinc/77/50/93/811775093.db2.gz NVSAZJIUMGTSBO-QGZVFWFLSA-N 0 3 287.407 2.034 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCC)C2 ZINC001108935268 811797349 /nfs/dbraw/zinc/79/73/49/811797349.db2.gz RQCJTGKHLJAUCG-ILXRZTDVSA-N 0 3 262.397 2.312 20 30 CEEDHN C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCCF ZINC001109080315 811819938 /nfs/dbraw/zinc/81/99/38/811819938.db2.gz QNLVTNGOAMWXAB-MQYQWHSLSA-N 0 3 281.375 2.007 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(OC)CCC1)C2 ZINC001109212166 811844198 /nfs/dbraw/zinc/84/41/98/811844198.db2.gz XGRUVZIVRXOQAJ-ILXRZTDVSA-N 0 3 292.423 2.243 20 30 CEEDHN CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)C)C2 ZINC001109246346 811850444 /nfs/dbraw/zinc/85/04/44/811850444.db2.gz VUQCBAYDRICAKF-PMPSAXMXSA-N 0 3 274.408 2.334 20 30 CEEDHN C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCF)CCC1 ZINC001109392224 811879302 /nfs/dbraw/zinc/87/93/02/811879302.db2.gz VSXRVCJUOZAXTI-ILXRZTDVSA-N 0 3 292.398 2.261 20 30 CEEDHN C[C@@H]1CN(C(=O)C2CC2)C[C@H]1CNCc1ccccc1C#N ZINC001048086580 811934509 /nfs/dbraw/zinc/93/45/09/811934509.db2.gz ADFVATIRDDRFBV-CXAGYDPISA-N 0 3 297.402 2.152 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)COC ZINC001109767691 811941963 /nfs/dbraw/zinc/94/19/63/811941963.db2.gz GSCTYXONMFKNGO-KBXIAJHMSA-N 0 3 294.439 2.345 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC13CCCC3)C2 ZINC001096287312 811943560 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CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@@]3(C)C(C)C)C[C@@H]2C1 ZINC001049145455 812077393 /nfs/dbraw/zinc/07/73/93/812077393.db2.gz QALQLSWCVJRWLF-DFGXFYAUSA-N 0 3 288.435 2.082 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)/C=C\c1ccco1 ZINC001049299660 812110786 /nfs/dbraw/zinc/11/07/86/812110786.db2.gz YLAHCPBATFEYFA-MGSINWNPSA-N 0 3 298.386 2.381 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1C=CCC1 ZINC001049312233 812116058 /nfs/dbraw/zinc/11/60/58/812116058.db2.gz DDYSKIQNUPBGKV-IXDOHACOSA-N 0 3 286.419 2.431 20 30 CEEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCC1CC1 ZINC001049385239 812134829 /nfs/dbraw/zinc/13/48/29/812134829.db2.gz AJMBQXWZQCEZNC-CVEARBPZSA-N 0 3 274.408 2.265 20 30 CEEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCC1CCC1 ZINC001049406861 812140514 /nfs/dbraw/zinc/14/05/14/812140514.db2.gz NTZNNOSYQUOZAS-CVEARBPZSA-N 0 3 274.408 2.265 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)sn1 ZINC001049444953 812148061 /nfs/dbraw/zinc/14/80/61/812148061.db2.gz KCPNGVMDSCNGON-KBPBESRZSA-N 0 3 291.420 2.316 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCO[C@H]1CC ZINC001049609198 812173737 /nfs/dbraw/zinc/17/37/37/812173737.db2.gz GAMZMGFXFWTHDS-WCVJEAGWSA-N 0 3 292.423 2.053 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C)CCC1 ZINC001049645688 812179666 /nfs/dbraw/zinc/17/96/66/812179666.db2.gz MYTHRDUQVACIRP-UONOGXRCSA-N 0 3 262.397 2.428 20 30 CEEDHN C=CCCCC(=O)N1CCN(C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001113282164 812205839 /nfs/dbraw/zinc/20/58/39/812205839.db2.gz OGHDUWUXRCGFBN-JKSUJKDBSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCCCCCN1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001113351095 812226225 /nfs/dbraw/zinc/22/62/25/812226225.db2.gz LSNORPGWHWKUMI-INIZCTEOSA-N 0 3 295.471 2.217 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001049953434 812238930 /nfs/dbraw/zinc/23/89/30/812238930.db2.gz XQDPXNNVWOAQPR-UONOGXRCSA-N 0 3 274.364 2.392 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)COC3CCCC3)[C@@H]2C1 ZINC001049986918 812249217 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C=CCCC(=O)N[C@@H]1[C@H]2CN(CCOCCC(C)C)C[C@H]21 ZINC001114001375 812441227 /nfs/dbraw/zinc/44/12/27/812441227.db2.gz CMZNSCHDYFMDGP-QLPKVWCKSA-N 0 3 294.439 2.062 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2cc[nH]c2C2CCC2)CC1 ZINC001052712031 812449433 /nfs/dbraw/zinc/44/94/33/812449433.db2.gz DECGAUWVMOALAE-HNNXBMFYSA-N 0 3 299.418 2.500 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)c2c[nH]cc2C2CC2)CC1 ZINC001052832162 812464818 /nfs/dbraw/zinc/46/48/18/812464818.db2.gz SMINBLLBBYRBGO-HNNXBMFYSA-N 0 3 299.418 2.500 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H]2CC23CCCC3)CC1 ZINC001052839261 812467292 /nfs/dbraw/zinc/46/72/92/812467292.db2.gz GDYVCSKQJMXCBZ-CABCVRRESA-N 0 3 274.408 2.171 20 30 CEEDHN C[C@@H](C(=O)NCCNCc1ccc(C#N)cc1)C1CCC1 ZINC001130131262 812534948 /nfs/dbraw/zinc/53/49/48/812534948.db2.gz HAHGEMBMBYBAKH-CYBMUJFWSA-N 0 3 285.391 2.200 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)C1CC(C)C1)C2 ZINC001054115459 812538695 /nfs/dbraw/zinc/53/86/95/812538695.db2.gz YOYHHTUBKKJTJE-HTWSVDAQSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCNCCNC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001130224587 812547083 /nfs/dbraw/zinc/54/70/83/812547083.db2.gz TZOBQIRDRZIVIP-UHFFFAOYSA-N 0 3 285.391 2.112 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)CC(C)(F)F)C2 ZINC001054191743 812547723 /nfs/dbraw/zinc/54/77/23/812547723.db2.gz LLXASLHTUABOSC-INIZCTEOSA-N 0 3 298.377 2.370 20 30 CEEDHN N#C[C@@H]1CC[C@@H](n2nc(C(F)(F)F)c3c2CNCC3)C1 ZINC001254672460 812570220 /nfs/dbraw/zinc/57/02/20/812570220.db2.gz BJWLBGMAZMYMCY-RKDXNWHRSA-N 0 3 284.285 2.412 20 30 CEEDHN C=CCOCCNCc1c(C)nc2scc(C)n21 ZINC000381110321 812575169 /nfs/dbraw/zinc/57/51/69/812575169.db2.gz UFZCHIQUYHYBAA-UHFFFAOYSA-N 0 3 265.382 2.305 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCc2cccnc2)C1 ZINC001054977228 812675875 /nfs/dbraw/zinc/67/58/75/812675875.db2.gz WDYGERIRFDXUAS-HIFRSBDPSA-N 0 3 287.407 2.230 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@H](NCc2cncs2)[C@@H](C)C1 ZINC001054976209 812676265 /nfs/dbraw/zinc/67/62/65/812676265.db2.gz JDRMJYQGAGDHPD-AAEUAGOBSA-N 0 3 293.436 2.292 20 30 CEEDHN CC#CCNCCNC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001131731771 812712253 /nfs/dbraw/zinc/71/22/53/812712253.db2.gz IOAZTXIAOSJNNB-HOTGVXAUSA-N 0 3 288.366 2.048 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)COC2CCCC2)CC[C@H]1C ZINC001131830829 812739674 /nfs/dbraw/zinc/73/96/74/812739674.db2.gz VRHJVIUTRQRFEE-CABCVRRESA-N 0 3 294.439 2.491 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)C(=O)C(C)(C)C)CC[C@@H]1C ZINC001131938046 812758881 /nfs/dbraw/zinc/75/88/81/812758881.db2.gz CECNTWQRGSFBAO-STQMWFEESA-N 0 3 280.412 2.147 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cc(C)cc(C)n3)[C@@H]2C1 ZINC001050083392 812781704 /nfs/dbraw/zinc/78/17/04/812781704.db2.gz WIUFGBQWWPTLSH-DOTOQJQBSA-N 0 3 299.418 2.421 20 30 CEEDHN C#Cc1ccc(C(=O)N2CCC[C@H]3CN(CC=C)C[C@H]32)cc1 ZINC001050107851 812782892 /nfs/dbraw/zinc/78/28/92/812782892.db2.gz BYPNOOWWQAMBHK-ZWKOTPCHSA-N 0 3 294.398 2.390 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)CCC(F)F)CC[C@H]1C ZINC001132181856 812797693 /nfs/dbraw/zinc/79/76/93/812797693.db2.gz BKVXWDZTBKXPMC-MNOVXSKESA-N 0 3 260.328 2.187 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CC(C)(C)COC)CC[C@@H]1C ZINC001132201134 812801884 /nfs/dbraw/zinc/80/18/84/812801884.db2.gz XEZKRPSEKMRHIZ-UONOGXRCSA-N 0 3 282.428 2.204 20 30 CEEDHN CCN1CCN(c2cc(CC#N)ccn2)C(C)(C)C1 ZINC001158561722 812802377 /nfs/dbraw/zinc/80/23/77/812802377.db2.gz MSEQPJJVSCDPRI-UHFFFAOYSA-N 0 3 258.369 2.068 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)CC)CC[C@@H]1C ZINC001132257317 812812581 /nfs/dbraw/zinc/81/25/81/812812581.db2.gz VHUAFVYEYMOTEY-UONOGXRCSA-N 0 3 264.413 2.415 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)c3cc(C)oc3C)C2)CC1 ZINC001050430843 812823028 /nfs/dbraw/zinc/82/30/28/812823028.db2.gz TZGNIXUQWIHNOH-UHFFFAOYSA-N 0 3 286.375 2.068 20 30 CEEDHN C=C(C)CN1CCC2(CN(C(=O)C(=O)C(C)(C)C)C2)CC1 ZINC001050463845 812828841 /nfs/dbraw/zinc/82/88/41/812828841.db2.gz BYJCBIJOLGBGPL-UHFFFAOYSA-N 0 3 292.423 2.102 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@@]3(C)CCC[C@@H]3C)C2)CC1 ZINC001050650948 812847620 /nfs/dbraw/zinc/84/76/20/812847620.db2.gz IEZOBNMHANMJFF-RDJZCZTQSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@@H]3CC34CCCC4)C2)CC1 ZINC001050719704 812854284 /nfs/dbraw/zinc/85/42/84/812854284.db2.gz GRKVUUARCGXXFG-HNNXBMFYSA-N 0 3 286.419 2.124 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)CCc2cscn2)CC[C@@H]1C ZINC001132549438 812886713 /nfs/dbraw/zinc/88/67/13/812886713.db2.gz QUCASRVPBOLFHH-STQMWFEESA-N 0 3 293.436 2.231 20 30 CEEDHN CCOC(=O)C1(C#N)CCN([C@H]2CCC[C@H](OC)C2)CC1 ZINC001172950314 815562634 /nfs/dbraw/zinc/56/26/34/815562634.db2.gz MOOBQEZVQWPSBR-KBPBESRZSA-N 0 3 294.395 2.113 20 30 CEEDHN CCC(CC)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001123835097 815564028 /nfs/dbraw/zinc/56/40/28/815564028.db2.gz SKIAMIDXCDDABW-UHFFFAOYSA-N 0 3 273.380 2.200 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)C[C@H]2C=CCC2)CC1 ZINC001052190249 812942708 /nfs/dbraw/zinc/94/27/08/812942708.db2.gz JJMVHBTXYQSPQO-JKSUJKDBSA-N 0 3 274.408 2.337 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)c2scnc2C)CC1 ZINC001052227511 812950219 /nfs/dbraw/zinc/95/02/19/812950219.db2.gz UNKNRGIMYNXEEP-CYBMUJFWSA-N 0 3 291.420 2.059 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)C=C2CCCCC2)CC1 ZINC001052232041 812953182 /nfs/dbraw/zinc/95/31/82/812953182.db2.gz YECQWGJWZHVKFO-MRXNPFEDSA-N 0 3 274.408 2.481 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)C2CC(C)(C)C2)CC1 ZINC001052356436 812980427 /nfs/dbraw/zinc/98/04/27/812980427.db2.gz ILHWEFUHZRNLJJ-OAHLLOKOSA-N 0 3 276.424 2.417 20 30 CEEDHN N#Cc1coc(CN[C@@H]2CCc3ncsc3C2)c1 ZINC001173132242 815593464 /nfs/dbraw/zinc/59/34/64/815593464.db2.gz PBXRXNGPOQUVLX-SNVBAGLBSA-N 0 3 259.334 2.255 20 30 CEEDHN CC#CCNCCNC(=O)c1ccc(C(F)F)c(F)c1 ZINC001133791244 813155944 /nfs/dbraw/zinc/15/59/44/813155944.db2.gz AIWGINNWZGGGQM-UHFFFAOYSA-N 0 3 284.281 2.106 20 30 CEEDHN C#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1conc1C ZINC001134202133 813233083 /nfs/dbraw/zinc/23/30/83/813233083.db2.gz WEFXXEQIGPXZMN-OLZOCXBDSA-N 0 3 291.395 2.159 20 30 CEEDHN C=CCC(C)(C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001134409977 813265618 /nfs/dbraw/zinc/26/56/18/813265618.db2.gz BKCKHVSNKOJAJJ-UHFFFAOYSA-N 0 3 291.420 2.428 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H](c1ccccc1)C(C)C ZINC001134416881 813268654 /nfs/dbraw/zinc/26/86/54/813268654.db2.gz MPWAFILJQLLMJR-MRXNPFEDSA-N 0 3 272.392 2.155 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cnn(C(C)C)c1C ZINC001170755495 813285686 /nfs/dbraw/zinc/28/56/86/813285686.db2.gz DQONDTSNCRLOIM-UHFFFAOYSA-N 0 3 298.818 2.234 20 30 CEEDHN CC(C)[C@@H](C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001134655780 813305916 /nfs/dbraw/zinc/30/59/16/813305916.db2.gz NITPWRCYHCRKFJ-CYBMUJFWSA-N 0 3 273.380 2.056 20 30 CEEDHN C[C@@H]1CC[C@H](C(=O)NCCNCc2ccc(C#N)s2)C1 ZINC001134742061 813319979 /nfs/dbraw/zinc/31/99/79/813319979.db2.gz RPTYAGLFHZGQSE-NEPJUHHUSA-N 0 3 291.420 2.262 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)sn2)CC[C@@H]1C ZINC001071467001 813415011 /nfs/dbraw/zinc/41/50/11/813415011.db2.gz KNKLRTGDZKVLAC-WCQYABFASA-N 0 3 291.420 2.058 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccoc2CC)CC[C@H]1C ZINC001071474285 813418016 /nfs/dbraw/zinc/41/80/16/813418016.db2.gz PSHMSXIMSTXSEH-KGLIPLIRSA-N 0 3 288.391 2.448 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)C2C=CC=CC=C2)CC[C@H]1C ZINC001071544514 813434349 /nfs/dbraw/zinc/43/43/49/813434349.db2.gz ZPHMWAUWNIVJMU-ZBFHGGJFSA-N 0 3 272.392 2.440 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)cc(C)n2)CC[C@@H]1C ZINC001071627984 813454110 /nfs/dbraw/zinc/45/41/10/813454110.db2.gz MNTINPJFLOBFLG-HOTGVXAUSA-N 0 3 299.418 2.304 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(F)c[nH]2)CC[C@H]1C ZINC001071693752 813464436 /nfs/dbraw/zinc/46/44/36/813464436.db2.gz WKGMNTALBXRRLO-DGCLKSJQSA-N 0 3 279.359 2.313 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2(C)CC=CC2)CC[C@H]1C ZINC001071800281 813486715 /nfs/dbraw/zinc/48/67/15/813486715.db2.gz UKRNKDYQLXESAV-HUUCEWRRSA-N 0 3 274.408 2.335 20 30 CEEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CCCCC1 ZINC000395271261 813499546 /nfs/dbraw/zinc/49/95/46/813499546.db2.gz RRKDOXMIILRGKT-WFASDCNBSA-N 0 3 250.386 2.215 20 30 CEEDHN C=CCN1C[C@H](NC(=O)c2c[nH]c3ncccc23)CC[C@H]1C ZINC001072088875 813543721 /nfs/dbraw/zinc/54/37/21/813543721.db2.gz RONMYKCICUYJDG-CHWSQXEVSA-N 0 3 298.390 2.332 20 30 CEEDHN CC(=O)N1CC[C@@H](C)[C@@H](CNCc2ccccc2C#N)C1 ZINC001072142134 813550796 /nfs/dbraw/zinc/55/07/96/813550796.db2.gz VPKRIJSJFMKFGY-DYVFJYSZSA-N 0 3 285.391 2.152 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CCC[C@H](F)C3)C2)C1 ZINC001072729214 813647061 /nfs/dbraw/zinc/64/70/61/813647061.db2.gz UBZSIGHGEXJJIJ-CABCVRRESA-N 0 3 292.398 2.072 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3CCC(F)(F)C3)C2)C1 ZINC001072803215 813660572 /nfs/dbraw/zinc/66/05/72/813660572.db2.gz IAOKGJVGAVDEHO-GFCCVEGCSA-N 0 3 284.350 2.142 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CCCC34CC4)C2)C1 ZINC001072851398 813672425 /nfs/dbraw/zinc/67/24/25/813672425.db2.gz UCBLHKMYDDAUMC-CQSZACIVSA-N 0 3 274.408 2.287 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](F)c3ccccc3)C2)C1 ZINC001073018666 813714284 /nfs/dbraw/zinc/71/42/84/813714284.db2.gz HXNSTIHMWPZYQO-HNNXBMFYSA-N 0 3 288.366 2.418 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ncoc2C)C1 ZINC001098749706 813942408 /nfs/dbraw/zinc/94/24/08/813942408.db2.gz UXQWOWLDSOUGFC-BBRMVZONSA-N 0 3 289.379 2.143 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC2(C)C)C1 ZINC001098987029 813971836 /nfs/dbraw/zinc/97/18/36/813971836.db2.gz NQLYFZBSTJHPQX-DAYGRLMNSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](C)CC)C[C@H]1C(F)(F)F ZINC001099215178 813995477 /nfs/dbraw/zinc/99/54/77/813995477.db2.gz GDRGYLIEYHECBX-HBNTYKKESA-N 0 3 278.318 2.197 20 30 CEEDHN C=C(Cc1ccccc1)C(=O)N1CCN2CCC1CC2 ZINC001144395772 814052798 /nfs/dbraw/zinc/05/27/98/814052798.db2.gz OBWJYEGKEYJSMJ-UHFFFAOYSA-N 0 3 270.376 2.092 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)N[C@@H](CO)c1ccccn1 ZINC001171192228 814089563 /nfs/dbraw/zinc/08/95/63/814089563.db2.gz LRUKPLWWIPYMFV-DYVFJYSZSA-N 0 3 281.359 2.207 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2ccccc2)C1 ZINC001100453920 814129416 /nfs/dbraw/zinc/12/94/16/814129416.db2.gz UHMVTLBGPZWPHH-UHFFFAOYSA-N 0 3 292.810 2.466 20 30 CEEDHN Cn1nnc2cc(CN3CCC[C@H](C#N)CC3)ccc21 ZINC001144641162 814134115 /nfs/dbraw/zinc/13/41/15/814134115.db2.gz KOSRAABQQBEFBC-LBPRGKRZSA-N 0 3 269.352 2.094 20 30 CEEDHN CC(=O)N[C@@H]1CCCN([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171220478 814179786 /nfs/dbraw/zinc/17/97/86/814179786.db2.gz ALYAZEHAMCXGSF-CXAGYDPISA-N 0 3 285.391 2.090 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C[C@@H](C)C(C)C)C[C@]2(C)C1 ZINC001101170414 814229708 /nfs/dbraw/zinc/22/97/08/814229708.db2.gz DXNTXMLZOSPPHB-NUJGCVRESA-N 0 3 290.451 2.472 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](CCC)C(C)C)C[C@]2(C)C1 ZINC001101378760 814252862 /nfs/dbraw/zinc/25/28/62/814252862.db2.gz DUHUBVLGLCYOSU-RYRKJORJSA-N 0 3 290.451 2.472 20 30 CEEDHN C=CCC1(C(=O)NC[C@@H]2CN(CCF)C[C@H]2C)CCC1 ZINC001102331444 814379893 /nfs/dbraw/zinc/37/98/93/814379893.db2.gz BBONUOJQSFSNKW-ZIAGYGMSSA-N 0 3 282.403 2.386 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C[C@H](C)C(C)C)C2)C1 ZINC001147244854 814405346 /nfs/dbraw/zinc/40/53/46/814405346.db2.gz JOXNEJKCNLGPGB-HNNXBMFYSA-N 0 3 276.424 2.226 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@@H](OCC)C(C)C)C2)C1 ZINC001147716765 814487223 /nfs/dbraw/zinc/48/72/23/814487223.db2.gz LYFPEVACTSDIFB-OAHLLOKOSA-N 0 3 294.439 2.158 20 30 CEEDHN C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CCN(CC#CC)C2 ZINC001148094754 814522451 /nfs/dbraw/zinc/52/24/51/814522451.db2.gz APOGSKOXFGDOHY-CABCVRRESA-N 0 3 274.408 2.002 20 30 CEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1C ZINC001103877381 814542026 /nfs/dbraw/zinc/54/20/26/814542026.db2.gz VJQDXGHJBPUIFU-DGCLKSJQSA-N 0 3 295.814 2.455 20 30 CEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)c3cc[nH]c3)C2)CC1 ZINC001086924555 814651776 /nfs/dbraw/zinc/65/17/76/814651776.db2.gz VMWRNFCRXMUOKG-HNNXBMFYSA-N 0 3 299.418 2.355 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](C)C3CCCC3)C[C@]2(C)C1 ZINC001092188288 814692689 /nfs/dbraw/zinc/69/26/89/814692689.db2.gz NIEHDHFMONXKDL-KYJSFNMBSA-N 0 3 288.435 2.226 20 30 CEEDHN CCCC1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC001116196457 814839533 /nfs/dbraw/zinc/83/95/33/814839533.db2.gz IRGMKNFRXHKHDA-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN C=C[C@H](COC)N[C@H](C)c1ccc(OCC#N)cc1 ZINC001116642762 814871479 /nfs/dbraw/zinc/87/14/79/814871479.db2.gz ALGNVAHAWSWJKS-TZMCWYRMSA-N 0 3 260.337 2.441 20 30 CEEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC001116642759 814871933 /nfs/dbraw/zinc/87/19/33/814871933.db2.gz ALGNVAHAWSWJKS-GXTWGEPZSA-N 0 3 260.337 2.441 20 30 CEEDHN C#C[C@H](NCCc1ccc(F)cc1F)[C@H]1CCCO1 ZINC001116678954 814875342 /nfs/dbraw/zinc/87/53/42/814875342.db2.gz ZNCQAQYQFIZKBN-LSDHHAIUSA-N 0 3 265.303 2.278 20 30 CEEDHN CC/C=C(/C)C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001124344968 815611317 /nfs/dbraw/zinc/61/13/17/815611317.db2.gz QIWVCNWLVWBEJQ-QCDXTXTGSA-N 0 3 289.354 2.259 20 30 CEEDHN N#CCC1CCC(N2CCN(c3cnccn3)CC2)CC1 ZINC001173330567 815679232 /nfs/dbraw/zinc/67/92/32/815679232.db2.gz CSZROXRIZXCAJY-UHFFFAOYSA-N 0 3 285.395 2.071 20 30 CEEDHN C=CCOC1CCC(NCc2ccn(CCF)n2)CC1 ZINC001173318592 815691947 /nfs/dbraw/zinc/69/19/47/815691947.db2.gz DOLBLSNPDWTQHV-UHFFFAOYSA-N 0 3 281.375 2.456 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C)c1)C2 ZINC001095134666 815694693 /nfs/dbraw/zinc/69/46/93/815694693.db2.gz FXWIDIKPDSGDJF-IKGGRYGDSA-N 0 3 282.387 2.353 20 30 CEEDHN COc1ncnc(OC)c1CNC1CCC(C)(C#N)CC1 ZINC001173586440 815753208 /nfs/dbraw/zinc/75/32/08/815753208.db2.gz QPUGYNQZXNUNFX-UHFFFAOYSA-N 0 3 290.367 2.056 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@H](N(C)C(C)=O)C2)c1[O-] ZINC001138629663 815848724 /nfs/dbraw/zinc/84/87/24/815848724.db2.gz DVTKUKBEPLHAER-INIZCTEOSA-N 0 3 288.391 2.173 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](N(C)C(C)=O)C2)c1[O-] ZINC001138629663 815848726 /nfs/dbraw/zinc/84/87/26/815848726.db2.gz DVTKUKBEPLHAER-INIZCTEOSA-N 0 3 288.391 2.173 20 30 CEEDHN CCn1nc(C)c(CN2CCC3SC(=O)C=C3C2)c1C ZINC001138642481 815857075 /nfs/dbraw/zinc/85/70/75/815857075.db2.gz CITRNVOHGITNTB-AWEZNQCLSA-N 0 3 291.420 2.294 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oc(C)nc1C)C2 ZINC001095266992 815866577 /nfs/dbraw/zinc/86/65/77/815866577.db2.gz PTHBKWYXEFOVCX-RDBSUJKOSA-N 0 3 289.379 2.203 20 30 CEEDHN CCOC(=O)C(C#N)NC(=O)Nc1ccc(C(C)C)cc1 ZINC001202930124 816017852 /nfs/dbraw/zinc/01/78/52/816017852.db2.gz MTSLOFRQUAFKDF-ZDUSSCGKSA-N 0 3 289.335 2.387 20 30 CEEDHN Cc1ccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)cc1C#N ZINC001139727267 816096646 /nfs/dbraw/zinc/09/66/46/816096646.db2.gz LKMCDFYXTFORHD-DOTOQJQBSA-N 0 3 297.402 2.309 20 30 CEEDHN N#CC1CCN(Cc2ccccc2-c2cnc(N)nc2)CC1 ZINC001140319167 816227348 /nfs/dbraw/zinc/22/73/48/816227348.db2.gz BGSGWBVTKQXGND-UHFFFAOYSA-N 0 3 293.374 2.461 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H](O)[C@@H]2Cc2ccccc2)cn1 ZINC001140543638 816283120 /nfs/dbraw/zinc/28/31/20/816283120.db2.gz QXRQVSNFITYOQJ-ZWKOTPCHSA-N 0 3 293.370 2.131 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CCCC[C@@H]1OC ZINC001177255512 816538568 /nfs/dbraw/zinc/53/85/68/816538568.db2.gz NEAHCHKYHVEWLA-STQMWFEESA-N 0 3 288.819 2.040 20 30 CEEDHN CSc1nc(CN2C[C@H](C)N(C)C[C@H]2C)ccc1C#N ZINC001141931864 816599217 /nfs/dbraw/zinc/59/92/17/816599217.db2.gz NWLNKIAWIFOPIC-NWDGAFQWSA-N 0 3 290.436 2.200 20 30 CEEDHN Cc1c(NC(=O)C(C#N)Cc2cccs2)ncn1C ZINC001177903618 816639650 /nfs/dbraw/zinc/63/96/50/816639650.db2.gz JAALNKBTIVPGAS-SNVBAGLBSA-N 0 3 274.349 2.111 20 30 CEEDHN O=C1C=C2CN(Cc3ccnc4[nH]ccc43)CCC2S1 ZINC001142874321 816745652 /nfs/dbraw/zinc/74/56/52/816745652.db2.gz RVNPARJCJCCAIC-ZDUSSCGKSA-N 0 3 285.372 2.337 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H](C)CCC)C1 ZINC001149400329 816859540 /nfs/dbraw/zinc/85/95/40/816859540.db2.gz WJOMNPZVGLSPPG-LSDHHAIUSA-N 0 3 282.428 2.206 20 30 CEEDHN C[C@H](CC#N)NC1CCN(c2nccs2)CC1 ZINC001179479797 816866630 /nfs/dbraw/zinc/86/66/30/816866630.db2.gz VEBPCDGIRKNDNQ-SNVBAGLBSA-N 0 3 250.371 2.004 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)c2ccccc2CC#N)CN1C1CC1 ZINC000601299464 346815299 /nfs/dbraw/zinc/81/52/99/346815299.db2.gz LGKYCFISCQOWMJ-JSGCOSHPSA-N 0 3 283.375 2.108 20 30 CEEDHN C[C@@H](NCC[C@@H](O)C(F)F)c1ccc(C#N)cc1F ZINC000601299580 346815462 /nfs/dbraw/zinc/81/54/62/346815462.db2.gz RTYHRNSPUCLBHE-PRHODGIISA-N 0 3 272.270 2.364 20 30 CEEDHN CC[C@H](NC1CN(c2ccncn2)C1)c1ccc(C#N)cc1 ZINC000601304604 346815980 /nfs/dbraw/zinc/81/59/80/346815980.db2.gz TWSLXDCVJOYLEN-INIZCTEOSA-N 0 3 293.374 2.278 20 30 CEEDHN Cc1ncc(CNCCOc2ccc(C#N)cc2)s1 ZINC000174559302 312690531 /nfs/dbraw/zinc/69/05/31/312690531.db2.gz IDGQPEGXPLRPKI-UHFFFAOYSA-N 0 3 273.361 2.492 20 30 CEEDHN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)C(C)C#N)C1 ZINC000336344644 365560503 /nfs/dbraw/zinc/56/05/03/365560503.db2.gz TZRICLKZLSGLTL-OCCSQVGLSA-N 0 3 289.354 2.379 20 30 CEEDHN C=CCC[C@@H](O)CN(C)CCOc1ccc(OC)cc1 ZINC000121286158 365546294 /nfs/dbraw/zinc/54/62/94/365546294.db2.gz QUIRVQDSAMUBSZ-CQSZACIVSA-N 0 3 279.380 2.333 20 30 CEEDHN Cn1cc(C[C@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)cn1 ZINC000121635392 365597841 /nfs/dbraw/zinc/59/78/41/365597841.db2.gz BKNUMHCXYUPKSP-CQSZACIVSA-N 0 3 298.365 2.495 20 30 CEEDHN CCN1CCC[C@@H]1CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000124726834 187150662 /nfs/dbraw/zinc/15/06/62/187150662.db2.gz YCVUIXMJHKFMBX-GFCCVEGCSA-N 0 3 274.324 2.363 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2c(C)cc(C)nc2C)CC1 ZINC000122391753 365628281 /nfs/dbraw/zinc/62/82/81/365628281.db2.gz SMXBAPXRKWKOEB-UHFFFAOYSA-N 0 3 285.391 2.291 20 30 CEEDHN CCn1ccnc1[C@H]1CCCCN1C(=O)C(C)C#N ZINC000336550673 365633702 /nfs/dbraw/zinc/63/37/02/365633702.db2.gz KACXXYQZRFVJJW-NWDGAFQWSA-N 0 3 260.341 2.116 20 30 CEEDHN C=CCOc1ccc(CNC[C@@]2(OC)CCOC2)cc1 ZINC000122995277 365634628 /nfs/dbraw/zinc/63/46/28/365634628.db2.gz VPNLMSSICVTBQE-INIZCTEOSA-N 0 3 277.364 2.147 20 30 CEEDHN C[C@H]1C[C@H](N(C)C(=O)C2(C#N)CCCCC2)CCN1C ZINC000124355064 365649274 /nfs/dbraw/zinc/64/92/74/365649274.db2.gz SAHNOGUGYXFICW-UONOGXRCSA-N 0 3 277.412 2.402 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](CC)C1 ZINC000125135913 187170945 /nfs/dbraw/zinc/17/09/45/187170945.db2.gz ODQGIYNKSJTBKD-UONOGXRCSA-N 0 3 250.386 2.307 20 30 CEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C1(C#N)CC2(CC2)C1 ZINC000601576248 346853134 /nfs/dbraw/zinc/85/31/34/346853134.db2.gz UGCPCAHDNWVTRP-UONOGXRCSA-N 0 3 287.407 2.156 20 30 CEEDHN CN(C(=O)Nc1cccc(CN)c1)[C@H]1CCC[C@H]1C#N ZINC000601564151 346850858 /nfs/dbraw/zinc/85/08/58/346850858.db2.gz CLGUPWDSBGTVSH-JSGCOSHPSA-N 0 3 272.352 2.301 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000337835300 214280264 /nfs/dbraw/zinc/28/02/64/214280264.db2.gz UGDMQMJDVCJWQB-IUODEOHRSA-N 0 3 271.364 2.079 20 30 CEEDHN CC[C@@H]1CN(CCCCC#N)[C@@H](CC)CN1C(C)=O ZINC000350479367 529390274 /nfs/dbraw/zinc/39/02/74/529390274.db2.gz OERMIEOFBRYBPZ-LSDHHAIUSA-N 0 3 265.401 2.402 20 30 CEEDHN N#CCc1ccccc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000601662955 346872750 /nfs/dbraw/zinc/87/27/50/346872750.db2.gz WDJFAZGDMSXGNB-SJORKVTESA-N 0 3 297.402 2.499 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)C(C#N)CCc2ccccc2)[C@H](C)O1 ZINC000601772400 346894921 /nfs/dbraw/zinc/89/49/21/346894921.db2.gz UCIUSMUJUBSCBX-VRKREXBASA-N 0 3 286.375 2.441 20 30 CEEDHN C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[C@H]1CCCCO1 ZINC000329453813 539239519 /nfs/dbraw/zinc/23/95/19/539239519.db2.gz MDPGSBYETQPARM-RMRHIDDWSA-N 0 3 295.427 2.073 20 30 CEEDHN CC[C@@H](C#N)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC000601853511 346916958 /nfs/dbraw/zinc/91/69/58/346916958.db2.gz WWNCECCDTCVPHO-HOTGVXAUSA-N 0 3 285.391 2.235 20 30 CEEDHN N#Cc1nnc2ccccc2c1NCCN1CCCC1 ZINC000041532013 362039771 /nfs/dbraw/zinc/03/97/71/362039771.db2.gz ZIFQXNHIBQWTOL-UHFFFAOYSA-N 0 3 267.336 2.009 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(CC(C)C)CC1 ZINC000042508365 362099623 /nfs/dbraw/zinc/09/96/23/362099623.db2.gz KHZQQOZWSAVKSQ-INIZCTEOSA-N 0 3 295.471 2.073 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000042509993 362100961 /nfs/dbraw/zinc/10/09/61/362100961.db2.gz YHJUABAZXVEVPV-UKRRQHHQSA-N 0 3 258.365 2.111 20 30 CEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1sccc1C#N ZINC000336617292 365725678 /nfs/dbraw/zinc/72/56/78/365725678.db2.gz VNZSIGPQJSENOF-WCQYABFASA-N 0 3 289.404 2.319 20 30 CEEDHN CCN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CCCC1 ZINC000047966075 362236082 /nfs/dbraw/zinc/23/60/82/362236082.db2.gz YCSWSYSSAZCESQ-HNNXBMFYSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CC1CCN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000127442965 365746881 /nfs/dbraw/zinc/74/68/81/365746881.db2.gz IETVUIPPEDMESN-TZMCWYRMSA-N 0 3 277.412 2.219 20 30 CEEDHN C=CCOc1ccccc1C(=O)NC1CCN(CC)CC1 ZINC000045065982 343480203 /nfs/dbraw/zinc/48/02/03/343480203.db2.gz JKYRVDIJTWVNCK-UHFFFAOYSA-N 0 3 288.391 2.466 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)CCc2ccc(C#N)cc2)C1 ZINC000046861495 343505397 /nfs/dbraw/zinc/50/53/97/343505397.db2.gz SLGHGZUYHUFOEX-HNNXBMFYSA-N 0 3 299.418 2.339 20 30 CEEDHN Cc1ncc([C@H](C)NC[C@@H](O)CC(C)(C)C#N)s1 ZINC000601966527 346945297 /nfs/dbraw/zinc/94/52/97/346945297.db2.gz CAZNYHVAKPODEK-ONGXEEELSA-N 0 3 267.398 2.403 20 30 CEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1C[C@H]1N ZINC000050463780 343544471 /nfs/dbraw/zinc/54/44/71/343544471.db2.gz WYWDQBGVZNJPMR-VHSXEESVSA-N 0 3 270.785 2.263 20 30 CEEDHN N#Cc1cc(N[C@@H]2CCCN(Cc3ccccc3)C2)ccn1 ZINC000336678394 365754987 /nfs/dbraw/zinc/75/49/87/365754987.db2.gz MVBAJDYUKARNHQ-QGZVFWFLSA-N 0 3 292.386 2.452 20 30 CEEDHN CCCCN(CC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000052877811 343567495 /nfs/dbraw/zinc/56/74/95/343567495.db2.gz AXPLYCODGFNWHR-AWEZNQCLSA-N 0 3 253.390 2.163 20 30 CEEDHN CN(C)[C@@H](CNC(=O)C1(C#N)CCC1)c1ccccc1 ZINC000128056951 365774503 /nfs/dbraw/zinc/77/45/03/365774503.db2.gz FHXVWLJWDZWLHQ-AWEZNQCLSA-N 0 3 271.364 2.099 20 30 CEEDHN C[C@H](N(C)Cc1ccc(F)c(C#N)c1)C(C)(C)O ZINC000295042189 199315580 /nfs/dbraw/zinc/31/55/80/199315580.db2.gz AMTGGNCEVBGUCD-JTQLQIEISA-N 0 3 250.317 2.289 20 30 CEEDHN N#Cc1c(F)cccc1CN[C@@H]1CCc2n[nH]cc2C1 ZINC000602002841 346955153 /nfs/dbraw/zinc/95/51/53/346955153.db2.gz BMUVXHDQRZXYON-GFCCVEGCSA-N 0 3 270.311 2.068 20 30 CEEDHN CN1CC[C@]2(CCN(C(=O)Nc3cccc(CC#N)c3)C2)C1 ZINC000334991913 529810964 /nfs/dbraw/zinc/81/09/64/529810964.db2.gz GVOYYTGLEPUIGI-KRWDZBQOSA-N 0 3 298.390 2.312 20 30 CEEDHN CCCN1C[C@H](CNCc2cccc(F)c2C#N)CC1=O ZINC000602020265 346962765 /nfs/dbraw/zinc/96/27/65/346962765.db2.gz OQTYEDGWFATIHV-LBPRGKRZSA-N 0 3 289.354 2.045 20 30 CEEDHN C=CCNC(=O)[C@H](C)N(C)C[C@@H](C)c1ccccc1 ZINC000066854084 343723264 /nfs/dbraw/zinc/72/32/64/343723264.db2.gz RAAYMAFBLHSYSW-KGLIPLIRSA-N 0 3 260.381 2.413 20 30 CEEDHN C[C@@H](CC#N)NCCCN1CCN(c2ccccc2)CC1 ZINC000068610300 343769465 /nfs/dbraw/zinc/76/94/65/343769465.db2.gz IDRYKNFHJRFXKL-INIZCTEOSA-N 0 3 286.423 2.090 20 30 CEEDHN N#Cc1cccc(CN2CCC(NCc3ccon3)CC2)c1 ZINC000602028485 346964131 /nfs/dbraw/zinc/96/41/31/346964131.db2.gz NHYMGGHVZOIQHZ-UHFFFAOYSA-N 0 3 296.374 2.300 20 30 CEEDHN C=CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000072489257 343803350 /nfs/dbraw/zinc/80/33/50/343803350.db2.gz AVHGWFQXHDJGAM-GFCCVEGCSA-N 0 3 279.409 2.370 20 30 CEEDHN C[C@H](C1CC1)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000602159167 346984561 /nfs/dbraw/zinc/98/45/61/346984561.db2.gz PTWYUTCODWFXKK-CYBMUJFWSA-N 0 3 277.412 2.402 20 30 CEEDHN N#Cc1ccc(CN2CCN(C3CCCC3)CC2)o1 ZINC000126967464 187274066 /nfs/dbraw/zinc/27/40/66/187274066.db2.gz FUNZUBNCSUIOFD-UHFFFAOYSA-N 0 3 259.353 2.211 20 30 CEEDHN N#Cc1cc(F)c(NC[C@@H]2CN3CCC[C@@H]3CO2)c(F)c1 ZINC000127001118 187276019 /nfs/dbraw/zinc/27/60/19/187276019.db2.gz XTLIXHJYORHNJM-VXGBXAGGSA-N 0 3 293.317 2.112 20 30 CEEDHN Cc1ccc2sc(CNC(=O)C(C)C#N)nc2c1 ZINC000602187918 346990628 /nfs/dbraw/zinc/99/06/28/346990628.db2.gz FANWEARZWWIJBG-VIFPVBQESA-N 0 3 259.334 2.381 20 30 CEEDHN C=CCCCCNC(=O)CCN(C)c1ccncc1 ZINC000573553357 334946392 /nfs/dbraw/zinc/94/63/92/334946392.db2.gz XDLQCRKVEFDMRC-UHFFFAOYSA-N 0 3 261.369 2.380 20 30 CEEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCCC#N ZINC000310018970 260205481 /nfs/dbraw/zinc/20/54/81/260205481.db2.gz QADAZABOVXHWNO-NEPJUHHUSA-N 0 3 267.373 2.135 20 30 CEEDHN C=CCN(CC=C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000078395608 343951004 /nfs/dbraw/zinc/95/10/04/343951004.db2.gz PJBINTWDLWJZHS-MRXNPFEDSA-N 0 3 286.375 2.166 20 30 CEEDHN N#CCc1cccc(C(=O)NCCN2CCCCCC2)c1 ZINC000078870709 343965320 /nfs/dbraw/zinc/96/53/20/343965320.db2.gz NCNMVPNJXXECFC-UHFFFAOYSA-N 0 3 285.391 2.358 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)C1(O)CCCC1)C(C)C ZINC000084926526 344092334 /nfs/dbraw/zinc/09/23/34/344092334.db2.gz JPFQTOLSJFOZQR-OAHLLOKOSA-N 0 3 294.439 2.106 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC#Cc1ccccc1 ZINC000085389041 344095047 /nfs/dbraw/zinc/09/50/47/344095047.db2.gz CDRKGMLWPPNFBH-RDJZCZTQSA-N 0 3 299.418 2.020 20 30 CEEDHN C[C@H](CCC#N)CN1CCN(Cc2ccco2)CC1 ZINC000602430766 347030726 /nfs/dbraw/zinc/03/07/26/347030726.db2.gz QDVJGVHCAGGQKV-CQSZACIVSA-N 0 3 261.369 2.337 20 30 CEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)NCC ZINC000602447829 347036507 /nfs/dbraw/zinc/03/65/07/347036507.db2.gz BBPDPZMZYBFABO-LBPRGKRZSA-N 0 3 291.351 2.107 20 30 CEEDHN CC(C)C(=O)N1CCCN(C[C@H](C)CCC#N)CC1 ZINC000602448601 347037198 /nfs/dbraw/zinc/03/71/98/347037198.db2.gz NNBGKUZYDBRFFN-CQSZACIVSA-N 0 3 265.401 2.117 20 30 CEEDHN C=CCOc1ccc(CN2CCC[C@H](CC(N)=O)C2)cc1 ZINC000093808433 344230014 /nfs/dbraw/zinc/23/00/14/344230014.db2.gz VMAYTMJRINJDOH-OAHLLOKOSA-N 0 3 288.391 2.339 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCc2ccccc2CC1 ZINC000116299862 344286207 /nfs/dbraw/zinc/28/62/07/344286207.db2.gz BMXUWBWLUGPRAE-UHFFFAOYSA-N 0 3 284.403 2.288 20 30 CEEDHN CCN1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000127784957 344331748 /nfs/dbraw/zinc/33/17/48/344331748.db2.gz VJLMAUJMSZADOP-ZDUSSCGKSA-N 0 3 274.324 2.363 20 30 CEEDHN N#Cc1ccc(S(=O)(=O)CCNCC2CCCC2)cc1 ZINC000147741753 344412821 /nfs/dbraw/zinc/41/28/21/344412821.db2.gz MMLFJLSQWWMCDD-UHFFFAOYSA-N 0 3 292.404 2.112 20 30 CEEDHN CC[C@H]1CCCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000150746842 344417802 /nfs/dbraw/zinc/41/78/02/344417802.db2.gz OUENRQPUXUFGNM-HOCLYGCPSA-N 0 3 277.412 2.449 20 30 CEEDHN N#Cc1ccc(F)cc1CN1CCN(c2ccncc2)CC1 ZINC000151121723 344419730 /nfs/dbraw/zinc/41/97/30/344419730.db2.gz RUZJRAMGYRARAE-UHFFFAOYSA-N 0 3 296.349 2.415 20 30 CEEDHN N#Cc1cccc(S(=O)(=O)CCNC2CCCCC2)c1 ZINC000158812322 344452673 /nfs/dbraw/zinc/45/26/73/344452673.db2.gz QNYLPBUQJXNYMV-UHFFFAOYSA-N 0 3 292.404 2.254 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)c2cccc(CC#N)c2)CCN1C ZINC000172621673 344496396 /nfs/dbraw/zinc/49/63/96/344496396.db2.gz WHTCJBLUTCHSJB-BBRMVZONSA-N 0 3 285.391 2.307 20 30 CEEDHN CN(CCCCC(C)(C)C#N)CC(=O)N1CCCC1 ZINC000234271330 344583933 /nfs/dbraw/zinc/58/39/33/344583933.db2.gz ZTBHKGIAFLCVOR-UHFFFAOYSA-N 0 3 265.401 2.261 20 30 CEEDHN N#CCc1cccc(C(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000264469821 344657452 /nfs/dbraw/zinc/65/74/52/344657452.db2.gz GEYIGLMFYMJIID-KRWDZBQOSA-N 0 3 297.402 2.453 20 30 CEEDHN N#Cc1cccc(CNC2CCN(c3ccccn3)CC2)n1 ZINC000602515203 347063775 /nfs/dbraw/zinc/06/37/75/347063775.db2.gz OMQLMKJLPLPXPS-UHFFFAOYSA-N 0 3 293.374 2.107 20 30 CEEDHN CCN1CCN(CCCOc2cccc(C#N)c2)C[C@H]1C ZINC000250250987 344632650 /nfs/dbraw/zinc/63/26/50/344632650.db2.gz INZFITSPIOXIFY-OAHLLOKOSA-N 0 3 287.407 2.353 20 30 CEEDHN CN(Cc1c[nH]c2nccnc12)Cc1cccc(C#N)c1 ZINC000356091517 530016025 /nfs/dbraw/zinc/01/60/25/530016025.db2.gz GJEDRXXSFBRVKX-UHFFFAOYSA-N 0 3 277.331 2.413 20 30 CEEDHN N#CCCOCCN1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000292658808 344688819 /nfs/dbraw/zinc/68/88/19/344688819.db2.gz AFJSQHRDSKANAK-KBPBESRZSA-N 0 3 278.352 2.098 20 30 CEEDHN C=CCCCS(=O)(=O)NCc1ccccc1CN(C)C ZINC000293183609 344691293 /nfs/dbraw/zinc/69/12/93/344691293.db2.gz YLLUEOIDRZMDFH-UHFFFAOYSA-N 0 3 296.436 2.134 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](CC)c1ccc(F)cc1 ZINC000294000386 344693301 /nfs/dbraw/zinc/69/33/01/344693301.db2.gz OTDJLVAQEVXAPU-INIZCTEOSA-N 0 3 290.382 2.391 20 30 CEEDHN C[C@@H](CNCc1cccc(C#N)n1)N1CCC(C)CC1 ZINC000602523711 347066306 /nfs/dbraw/zinc/06/63/06/347066306.db2.gz GQVMLHHXOBCSNG-AWEZNQCLSA-N 0 3 272.396 2.163 20 30 CEEDHN CCCN(CCN(C)C)C(=O)c1ccc(CC#N)cc1 ZINC000340164450 344768808 /nfs/dbraw/zinc/76/88/08/344768808.db2.gz HYFZBIVEUFSSLB-UHFFFAOYSA-N 0 3 273.380 2.166 20 30 CEEDHN COc1ccccc1[C@@H](CO)NC[C@H](C)CCC#N ZINC000602552052 347073978 /nfs/dbraw/zinc/07/39/78/347073978.db2.gz QSMGDSLRQRYYDC-TZMCWYRMSA-N 0 3 262.353 2.258 20 30 CEEDHN C[C@H](CCc1cccn1C)NCc1cccc(C#N)n1 ZINC000602558082 347076084 /nfs/dbraw/zinc/07/60/84/347076084.db2.gz QZOUHXCDMWBUOO-CYBMUJFWSA-N 0 3 268.364 2.403 20 30 CEEDHN CCCN1CC[C@H](NC(=O)C2(C#N)CCCCC2)C1 ZINC000389676975 344836233 /nfs/dbraw/zinc/83/62/33/344836233.db2.gz GMGZQQASBXUYFI-ZDUSSCGKSA-N 0 3 263.385 2.061 20 30 CEEDHN N#Cc1ccc(CNC[C@H](O)CC(F)(F)F)cc1F ZINC000404258987 344879228 /nfs/dbraw/zinc/87/92/28/344879228.db2.gz QGCMOAIRHDFPRK-SNVBAGLBSA-N 0 3 276.233 2.100 20 30 CEEDHN C#C[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccc(F)cc1 ZINC000491621024 344912649 /nfs/dbraw/zinc/91/26/49/344912649.db2.gz GLQVFYDKYRILIM-DVOMOZLQSA-N 0 3 288.366 2.489 20 30 CEEDHN C=CCC[C@@H](O)CN(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000556056563 344935841 /nfs/dbraw/zinc/93/58/41/344935841.db2.gz RUPUZQIYSCMFIB-CYBMUJFWSA-N 0 3 265.401 2.466 20 30 CEEDHN COC(=O)c1coc(CNCC(C)(C)CCC#N)c1 ZINC000589207779 345072246 /nfs/dbraw/zinc/07/22/46/345072246.db2.gz OSZWMZIYNHUPMD-UHFFFAOYSA-N 0 3 264.325 2.486 20 30 CEEDHN COC(=O)[C@H](C)N(C[C@H](C)CCC#N)C1CCC1 ZINC000589823004 345099947 /nfs/dbraw/zinc/09/99/47/345099947.db2.gz UREYDJWVAHRYEO-NEPJUHHUSA-N 0 3 252.358 2.342 20 30 CEEDHN N#Cc1cc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccn1 ZINC000590756575 345174931 /nfs/dbraw/zinc/17/49/31/345174931.db2.gz ISUAPOAIKHTNGO-RRFJBIMHSA-N 0 3 269.348 2.000 20 30 CEEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1ccnc(C#N)c1 ZINC000590758220 345175892 /nfs/dbraw/zinc/17/58/92/345175892.db2.gz KISLDXCCVYVYPB-CABCVRRESA-N 0 3 287.363 2.165 20 30 CEEDHN C=C(C)[C@H](CO)N1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000591477337 345260619 /nfs/dbraw/zinc/26/06/19/345260619.db2.gz DIJRSGVOIQPAEX-IHRRRGAJSA-N 0 3 283.412 2.223 20 30 CEEDHN Cc1cccc2c1CCCN2C(=O)[C@H](N)CCCC#N ZINC000591615084 345269690 /nfs/dbraw/zinc/26/96/90/345269690.db2.gz NXFSNUVFSIBGQD-CQSZACIVSA-N 0 3 271.364 2.295 20 30 CEEDHN CC(C)COC[C@@H](O)CNCc1ccc(C#N)c(Cl)c1 ZINC000591765786 345279290 /nfs/dbraw/zinc/27/92/90/345279290.db2.gz HVNTWJBMABNJCG-AWEZNQCLSA-N 0 3 296.798 2.335 20 30 CEEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)CO1 ZINC000592367090 345346527 /nfs/dbraw/zinc/34/65/27/345346527.db2.gz NWPSLECMHJAAJX-BXKDBHETSA-N 0 3 250.729 2.479 20 30 CEEDHN N#Cc1cnccc1CN1CCNC[C@H]1c1cccc(F)c1 ZINC000592485309 345359737 /nfs/dbraw/zinc/35/97/37/345359737.db2.gz AIPYSBXKAGIJOK-KRWDZBQOSA-N 0 3 296.349 2.239 20 30 CEEDHN C[C@H]1CCN(Cc2cnc3c(C#N)cnn3c2)C[C@@H](C)C1 ZINC000592505530 345361995 /nfs/dbraw/zinc/36/19/95/345361995.db2.gz YOKHEAQKYFLIFV-STQMWFEESA-N 0 3 283.379 2.469 20 30 CEEDHN C[C@@H](CCc1cccc(F)c1)N1CC[C@](O)(CC#N)C1 ZINC000592521710 345364645 /nfs/dbraw/zinc/36/46/45/345364645.db2.gz BGGAQUFBKXXELS-XJKSGUPXSA-N 0 3 276.355 2.497 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NC1(c2ccccc2F)CCC1 ZINC000592567780 345369613 /nfs/dbraw/zinc/36/96/13/345369613.db2.gz YNRDIXVTEQIDME-CQSZACIVSA-N 0 3 289.354 2.342 20 30 CEEDHN N#CC[C@@]1(O)CCN([C@@H]2CCCc3ccccc32)C1 ZINC000592151407 345331297 /nfs/dbraw/zinc/33/12/97/345331297.db2.gz OMPXDRNSYQRVQK-HZPDHXFCSA-N 0 3 256.349 2.414 20 30 CEEDHN C[C@]1(CO)CCC[C@@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593025431 345425068 /nfs/dbraw/zinc/42/50/68/345425068.db2.gz TXFWEKMVONYJHX-LSDHHAIUSA-N 0 3 289.335 2.107 20 30 CEEDHN N#Cc1cccc(OCCN2CCC(C3(O)CC3)CC2)c1 ZINC000593051618 345429391 /nfs/dbraw/zinc/42/93/91/345429391.db2.gz SRMXZIZKNPBHGR-UHFFFAOYSA-N 0 3 286.375 2.174 20 30 CEEDHN N#CC1(NC(=O)CNC2(C3CCC3)CC2)CCCCC1 ZINC000593085359 345436028 /nfs/dbraw/zinc/43/60/28/345436028.db2.gz VDCVJEABSRSRJV-UHFFFAOYSA-N 0 3 275.396 2.251 20 30 CEEDHN CC(C#N)C(=O)NCC[C@H]1CSc2ccccc2O1 ZINC000592826182 345400442 /nfs/dbraw/zinc/40/04/42/345400442.db2.gz NJKLMAZSBJTOIK-MNOVXSKESA-N 0 3 276.361 2.206 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000592827918 345401170 /nfs/dbraw/zinc/40/11/70/345401170.db2.gz UCDDLHCBEXYZHL-ZACQAIPSSA-N 0 3 298.386 2.396 20 30 CEEDHN CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)C(C#N)CC ZINC000593595527 345510789 /nfs/dbraw/zinc/51/07/89/345510789.db2.gz HZDSIGUJXOZVHF-NEPJUHHUSA-N 0 3 282.384 2.410 20 30 CEEDHN CN(CCN1CCCCC1)c1c(C#N)cccc1[N+](=O)[O-] ZINC000593515966 345502201 /nfs/dbraw/zinc/50/22/01/345502201.db2.gz UZOYUOGSVWZPSD-UHFFFAOYSA-N 0 3 288.351 2.389 20 30 CEEDHN CC[C@@H](C#N)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000593390939 345475847 /nfs/dbraw/zinc/47/58/47/345475847.db2.gz HYPAQSUDXRACPG-GOEBONIOSA-N 0 3 285.391 2.489 20 30 CEEDHN CC[C@H](C#N)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000593409652 345478665 /nfs/dbraw/zinc/47/86/65/345478665.db2.gz CRJWZPAOGUNDKJ-CYBMUJFWSA-N 0 3 295.452 2.014 20 30 CEEDHN N#Cc1cnn2cc(CNC3CC4(CCC4)C3)cnc12 ZINC000593695273 345523614 /nfs/dbraw/zinc/52/36/14/345523614.db2.gz ZXIIDCRJWYEFGJ-UHFFFAOYSA-N 0 3 267.336 2.023 20 30 CEEDHN C[C@@H](N[C@@H](CO)CCF)c1ccc(C#N)cc1F ZINC000593718372 345526633 /nfs/dbraw/zinc/52/66/33/345526633.db2.gz FUIBRSYBRDZYHO-MWLCHTKSSA-N 0 3 254.280 2.068 20 30 CEEDHN C[C@@H](N[C@@H](CO)CCF)c1ccc(C#N)c(F)c1 ZINC000593718534 345526661 /nfs/dbraw/zinc/52/66/61/345526661.db2.gz ILWDLCXYOGCCIJ-BXKDBHETSA-N 0 3 254.280 2.068 20 30 CEEDHN CC1(C)CN(C(=O)[C@@H](N)CCCC#N)c2cc(F)ccc21 ZINC000593914585 345551655 /nfs/dbraw/zinc/55/16/55/345551655.db2.gz KHWHDQNUVWIFMZ-ZDUSSCGKSA-N 0 3 289.354 2.471 20 30 CEEDHN C[C@H]1CN(C(=O)[C@@H](N)CCCC#N)CCc2ccccc21 ZINC000593916747 345551872 /nfs/dbraw/zinc/55/18/72/345551872.db2.gz QSYJDAFWLZOCIH-BBRMVZONSA-N 0 3 285.391 2.196 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000593984481 345560305 /nfs/dbraw/zinc/56/03/05/345560305.db2.gz PWVPHWDVBCLYEU-PBHICJAKSA-N 0 3 299.418 2.289 20 30 CEEDHN CC(C)[C@@H](NCc1ccc(C#N)cn1)C1(CO)CC=CC1 ZINC000594016531 345566643 /nfs/dbraw/zinc/56/66/43/345566643.db2.gz YYWUXIMXUNVQQT-MRXNPFEDSA-N 0 3 285.391 2.396 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000593613540 345513250 /nfs/dbraw/zinc/51/32/50/345513250.db2.gz SBLHNRPMCOCDEQ-GXTWGEPZSA-N 0 3 288.347 2.184 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cc(Cl)ccn1 ZINC000594468238 345636565 /nfs/dbraw/zinc/63/65/65/345636565.db2.gz LKTAGPMQQRWSFL-SNVBAGLBSA-N 0 3 266.732 2.085 20 30 CEEDHN N#CCCCCC(=O)NCCN1CCCCCC1 ZINC000594230384 345601040 /nfs/dbraw/zinc/60/10/40/345601040.db2.gz MHSLJUFZXMCPSI-UHFFFAOYSA-N 0 3 251.374 2.063 20 30 CEEDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)CCCCC#N ZINC000594251300 345604959 /nfs/dbraw/zinc/60/49/59/345604959.db2.gz ZWBDYFUCXRREPV-MRXNPFEDSA-N 0 3 287.407 2.359 20 30 CEEDHN CN1CCC[C@]2(CCN(C(=O)CCCCC#N)C2)C1 ZINC000594367531 345617485 /nfs/dbraw/zinc/61/74/85/345617485.db2.gz PGHBBTMMDLWUBW-HNNXBMFYSA-N 0 3 263.385 2.015 20 30 CEEDHN CC(C#N)C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594403192 345621989 /nfs/dbraw/zinc/62/19/89/345621989.db2.gz GNSXUACSCUAIBJ-NSHDSACASA-N 0 3 253.305 2.213 20 30 CEEDHN CN1CCC[C@@H](NCc2ccc(C(C)(C)C#N)cc2)C1=O ZINC000594497021 345638305 /nfs/dbraw/zinc/63/83/05/345638305.db2.gz ASHAPKIFCYSBMF-OAHLLOKOSA-N 0 3 285.391 2.198 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCCc1ccccc1 ZINC000594425038 345625946 /nfs/dbraw/zinc/62/59/46/345625946.db2.gz JHYIRYQNOOPFMM-HNNXBMFYSA-N 0 3 273.380 2.147 20 30 CEEDHN CCOc1ccccc1NC(=O)[C@H](N)CCCCC#N ZINC000594427445 345626676 /nfs/dbraw/zinc/62/66/76/345626676.db2.gz UPYSVDFNNIIEJJ-GFCCVEGCSA-N 0 3 275.352 2.435 20 30 CEEDHN CN(C(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1 ZINC000594429006 345627715 /nfs/dbraw/zinc/62/77/15/345627715.db2.gz QANVIEXBCHFHTF-CYBMUJFWSA-N 0 3 263.316 2.200 20 30 CEEDHN COc1cc(F)c(NC(=O)[C@H](N)CCCCC#N)cc1F ZINC000594432587 345628362 /nfs/dbraw/zinc/62/83/62/345628362.db2.gz DLOULBOLIDBJLO-LLVKDONJSA-N 0 3 297.305 2.323 20 30 CEEDHN CCC1(CNC(=O)[C@H](N)CCCCC#N)CCCC1 ZINC000594433026 345629266 /nfs/dbraw/zinc/62/92/66/345629266.db2.gz JOHRNWDIYSOAMU-CYBMUJFWSA-N 0 3 265.401 2.484 20 30 CEEDHN C[C@@H](c1cccnc1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594435089 345629831 /nfs/dbraw/zinc/62/98/31/345629831.db2.gz AFMBPERIDRBATE-GXTWGEPZSA-N 0 3 274.368 2.012 20 30 CEEDHN CCc1ccc(CCNC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594435139 345629893 /nfs/dbraw/zinc/62/98/93/345629893.db2.gz ATDPRBWDQIYWNN-MRXNPFEDSA-N 0 3 287.407 2.319 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCCc2ccccc2C1 ZINC000594434779 345630056 /nfs/dbraw/zinc/63/00/56/345630056.db2.gz SXLZOCQIHNBEQZ-INIZCTEOSA-N 0 3 285.391 2.373 20 30 CEEDHN Cc1c(NC(=O)[C@H](N)CCCCC#N)cccc1N(C)C ZINC000594435284 345630126 /nfs/dbraw/zinc/63/01/26/345630126.db2.gz ALHMXDQGDYLOIV-CYBMUJFWSA-N 0 3 288.395 2.411 20 30 CEEDHN CCC[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccccn1 ZINC000594439233 345631114 /nfs/dbraw/zinc/63/11/14/345631114.db2.gz UJFNXVBOVXKIPX-UKRRQHHQSA-N 0 3 288.395 2.450 20 30 CEEDHN CC(C)(C)[C@@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC000594440164 345631159 /nfs/dbraw/zinc/63/11/59/345631159.db2.gz VIIVWTXMKLBLGR-OLZOCXBDSA-N 0 3 265.401 2.435 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H](N)CCCCC#N ZINC000594443875 345631758 /nfs/dbraw/zinc/63/17/58/345631758.db2.gz WIQKYYLBFWJEKU-UPJWGTAASA-N 0 3 251.374 2.187 20 30 CEEDHN CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594446888 345632467 /nfs/dbraw/zinc/63/24/67/345632467.db2.gz YZYYXJFGWYDEAR-AGIUHOORSA-N 0 3 251.374 2.093 20 30 CEEDHN CCC1(CC)[C@H](NC(=O)[C@@H](N)CCCCC#N)C[C@H]1OC ZINC000594445778 345632895 /nfs/dbraw/zinc/63/28/95/345632895.db2.gz LVVOCGMUEMZLQH-BFHYXJOUSA-N 0 3 295.427 2.108 20 30 CEEDHN CC[C@@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594447882 345633596 /nfs/dbraw/zinc/63/35/96/345633596.db2.gz WXOWTNYKFYCDFX-KGLIPLIRSA-N 0 3 265.401 2.436 20 30 CEEDHN C[C@@H](CC(=O)N(C)C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594517049 345643178 /nfs/dbraw/zinc/64/31/78/345643178.db2.gz UOGIOHFZUGRQTH-ZDUSSCGKSA-N 0 3 285.391 2.394 20 30 CEEDHN CC[C@](C)(N)c1cn(CC2(C#N)CCCCC2)nn1 ZINC000594658181 345668734 /nfs/dbraw/zinc/66/87/34/345668734.db2.gz NAGDDTFUJLMSEK-ZDUSSCGKSA-N 0 3 261.373 2.336 20 30 CEEDHN N#CC1(c2ccc(CN[C@H](CO)CCF)cc2)CC1 ZINC000594947572 345713280 /nfs/dbraw/zinc/71/32/80/345713280.db2.gz FTNGRWOEGUNBLS-AWEZNQCLSA-N 0 3 262.328 2.052 20 30 CEEDHN C[C@@]1(O)C[C@H](NCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594952450 345714328 /nfs/dbraw/zinc/71/43/28/345714328.db2.gz ZFHAAQYGKHYTDL-GASCZTMLSA-N 0 3 256.349 2.245 20 30 CEEDHN C[S@](=O)[C@H]1CCC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000594964241 345718642 /nfs/dbraw/zinc/71/86/42/345718642.db2.gz CKDLHVKNGIGKNB-YRVVQQKDSA-N 0 3 294.395 2.477 20 30 CEEDHN C[C@@H](Cn1cncn1)N[C@@H](CCC#N)c1ccccc1 ZINC000595023255 345729342 /nfs/dbraw/zinc/72/93/42/345729342.db2.gz UIGFFUUIFJSDTB-ZFWWWQNUSA-N 0 3 269.352 2.301 20 30 CEEDHN C[C@@H]1[C@H](C)N(CCc2ccc(C#N)cc2)CCN1C ZINC000595410891 345776056 /nfs/dbraw/zinc/77/60/56/345776056.db2.gz UHIGZGLWVUDIAK-KGLIPLIRSA-N 0 3 257.381 2.125 20 30 CEEDHN CC1(C)CN(CCc2ccc(C#N)cc2)CC[C@@H]1O ZINC000595451967 345786244 /nfs/dbraw/zinc/78/62/44/345786244.db2.gz XEOPRWLGKZIJDS-HNNXBMFYSA-N 0 3 258.365 2.194 20 30 CEEDHN C[C@@H]1CN(C2CCOCC2)CCN1[C@H](C#N)c1ccccc1 ZINC000595481059 345792677 /nfs/dbraw/zinc/79/26/77/345792677.db2.gz NPMHIMTXFRBMOA-CRAIPNDOSA-N 0 3 299.418 2.436 20 30 CEEDHN CO[C@@]1(CO)CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000595660171 345841500 /nfs/dbraw/zinc/84/15/00/345841500.db2.gz RRQYHGINRPOWLJ-CJNGLKHVSA-N 0 3 274.364 2.093 20 30 CEEDHN CN(Cc1ccccc1C(C)(C)C#N)C[C@@H]1COCCO1 ZINC000595741309 345864015 /nfs/dbraw/zinc/86/40/15/345864015.db2.gz MHXSPBQDGUDLKY-OAHLLOKOSA-N 0 3 288.391 2.335 20 30 CEEDHN Cc1cccc(OC[C@H](O)CN2CCC[C@@H](CC#N)C2)c1 ZINC000595609394 345825990 /nfs/dbraw/zinc/82/59/90/345825990.db2.gz JHVAEHFNNKDLOV-JKSUJKDBSA-N 0 3 288.391 2.360 20 30 CEEDHN N#CC[C@@H]1CCCN(C[C@H](O)Cc2ccccc2)C1 ZINC000595619427 345829731 /nfs/dbraw/zinc/82/97/31/345829731.db2.gz ASUMBVFKUFAQST-JKSUJKDBSA-N 0 3 258.365 2.216 20 30 CEEDHN C=CC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595659992 345841201 /nfs/dbraw/zinc/84/12/01/345841201.db2.gz PMODGDXFVYWJFT-CYBMUJFWSA-N 0 3 291.351 2.045 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595858603 345899786 /nfs/dbraw/zinc/89/97/86/345899786.db2.gz XSUPLYZPLFQGNN-PBNFFQIGSA-N 0 3 275.396 2.200 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H](c2ccccc2)C1 ZINC000595960498 345917938 /nfs/dbraw/zinc/91/79/38/345917938.db2.gz UOTFWYHEBLSESJ-JKSUJKDBSA-N 0 3 285.391 2.414 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1nc(C#N)c(Cl)s1 ZINC000596153305 345954044 /nfs/dbraw/zinc/95/40/44/345954044.db2.gz XQAWTDRBEJDVQO-WPRPVWTQSA-N 0 3 284.816 2.445 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)c1nc(C#N)c(Cl)s1 ZINC000596128441 345946225 /nfs/dbraw/zinc/94/62/25/345946225.db2.gz HYHONKTXYNPDGL-SECBINFHSA-N 0 3 284.816 2.446 20 30 CEEDHN CN(CCN1CCCCC1)c1nc2ncccc2cc1C#N ZINC000596295453 345993562 /nfs/dbraw/zinc/99/35/62/345993562.db2.gz MZOFUFQKOOZGIB-UHFFFAOYSA-N 0 3 295.390 2.424 20 30 CEEDHN Cc1ccc(NC[C@@H]2CCN2Cc2ccccc2)nc1C#N ZINC000596559123 346054836 /nfs/dbraw/zinc/05/48/36/346054836.db2.gz WUDZGCRFOUGVBU-INIZCTEOSA-N 0 3 292.386 2.370 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@H](CC)c1cccs1 ZINC000049530840 122254248 /nfs/dbraw/zinc/25/42/48/122254248.db2.gz ZFNOOOHXZWVLCE-GHMZBOCLSA-N 0 3 252.383 2.480 20 30 CEEDHN COC(=O)C1(CNCc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597087208 346127395 /nfs/dbraw/zinc/12/73/95/346127395.db2.gz WHHYAJJMOXEOQE-UHFFFAOYSA-N 0 3 284.359 2.285 20 30 CEEDHN CCN(CCOCCO)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597129317 346132029 /nfs/dbraw/zinc/13/20/29/346132029.db2.gz CZADOPQQHROKSU-UHFFFAOYSA-N 0 3 288.391 2.073 20 30 CEEDHN COC[C@@H]1CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597136655 346134003 /nfs/dbraw/zinc/13/40/03/346134003.db2.gz ZSNBNYQTBORTLL-HNNXBMFYSA-N 0 3 256.349 2.462 20 30 CEEDHN C[C@H](CC#N)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000597281780 346167475 /nfs/dbraw/zinc/16/74/75/346167475.db2.gz WQYACOQETHFBNG-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)CC2(C#N)CCCCC2)CCN1C ZINC000597293794 346168579 /nfs/dbraw/zinc/16/85/79/346168579.db2.gz HVDCICGJXGCTRX-ZIAGYGMSSA-N 0 3 277.412 2.449 20 30 CEEDHN COc1cc(CN2CC[C@@H]3COC[C@@H]3C2)ccc1C#N ZINC000597231894 346156074 /nfs/dbraw/zinc/15/60/74/346156074.db2.gz REGSZZRKHGYSLG-CABCVRRESA-N 0 3 272.348 2.035 20 30 CEEDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc(C#N)oc1C ZINC000597604491 346206752 /nfs/dbraw/zinc/20/67/52/346206752.db2.gz JCFWKJYSGRIRLY-LBPRGKRZSA-N 0 3 275.352 2.016 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cccc(CC)c1 ZINC000451599928 539531551 /nfs/dbraw/zinc/53/15/51/539531551.db2.gz PTQNODLNZJQGBP-CABCVRRESA-N 0 3 274.364 2.121 20 30 CEEDHN CN1CCC(CC(=O)N2CCc3cc(C#N)ccc32)CC1 ZINC000597773357 346228802 /nfs/dbraw/zinc/22/88/02/346228802.db2.gz RYVXXJMBOSEFMN-UHFFFAOYSA-N 0 3 283.375 2.179 20 30 CEEDHN CCC(C#N)C(=O)N(CC)[C@@H](C)C(=O)OC(C)(C)C ZINC000597873988 346243812 /nfs/dbraw/zinc/24/38/12/346243812.db2.gz KWFKWYQVGGUZNR-QWRGUYRKSA-N 0 3 268.357 2.115 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccc(F)c(C#N)c2)C1 ZINC000597923769 346254391 /nfs/dbraw/zinc/25/43/91/346254391.db2.gz PJOICCIJPAJECU-ZDUSSCGKSA-N 0 3 289.354 2.300 20 30 CEEDHN CCN(C(=O)CCCCCC#N)[C@@H]1CCN(C)C1 ZINC000597943957 346255325 /nfs/dbraw/zinc/25/53/25/346255325.db2.gz BFKXYBNFTUSOFN-CYBMUJFWSA-N 0 3 251.374 2.013 20 30 CEEDHN C[C@H]1CN(CCOc2ccc(C#N)cc2)CCCO1 ZINC000061918385 362698900 /nfs/dbraw/zinc/69/89/00/362698900.db2.gz SKPAOHSCIPELBE-ZDUSSCGKSA-N 0 3 260.337 2.048 20 30 CEEDHN COc1ccc(CN(C)C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598585795 346377523 /nfs/dbraw/zinc/37/75/23/346377523.db2.gz ASQOWYSQPDCZLK-CQSZACIVSA-N 0 3 276.380 2.428 20 30 CEEDHN COCC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccco1 ZINC000598611726 346383891 /nfs/dbraw/zinc/38/38/91/346383891.db2.gz INBNOGJIBKCCJY-QWHCGFSZSA-N 0 3 280.368 2.248 20 30 CEEDHN CC[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)[C@@H](CC)CO1 ZINC000598621748 346386369 /nfs/dbraw/zinc/38/63/69/346386369.db2.gz DCFBCFGHXJYVGY-BFHYXJOUSA-N 0 3 268.401 2.177 20 30 CEEDHN COc1ccc(CNC[C@H](O)CC(C)(C)C#N)cc1F ZINC000598699761 346403401 /nfs/dbraw/zinc/40/34/01/346403401.db2.gz ISKKFFRGVOEMQT-GFCCVEGCSA-N 0 3 280.343 2.225 20 30 CEEDHN CC(C)Oc1cc(CNC[C@H](O)CC(C)(C)C#N)ccn1 ZINC000598726125 346409861 /nfs/dbraw/zinc/40/98/61/346409861.db2.gz RLFFANNKNJHCLB-CQSZACIVSA-N 0 3 291.395 2.259 20 30 CEEDHN Cc1ccn2cc(CNC[C@H](O)CC(C)(C)C#N)nc2c1 ZINC000598719861 346407508 /nfs/dbraw/zinc/40/75/08/346407508.db2.gz KJAVGDQTJWUBDK-CQSZACIVSA-N 0 3 286.379 2.033 20 30 CEEDHN Cc1csc([C@@H](C)NC2CCN(CC#N)CC2)n1 ZINC000599027258 346449055 /nfs/dbraw/zinc/44/90/55/346449055.db2.gz KXJMIFRVHLBERH-LLVKDONJSA-N 0 3 264.398 2.090 20 30 CEEDHN CN(CCN1CCCC1)Cc1cc(C#N)ccc1F ZINC000063051922 362745181 /nfs/dbraw/zinc/74/51/81/362745181.db2.gz LMDMBVZUKPCJOI-UHFFFAOYSA-N 0 3 261.344 2.225 20 30 CEEDHN COc1ccccc1[C@@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC000599344552 346502348 /nfs/dbraw/zinc/50/23/48/346502348.db2.gz FZZPANJGPJKBFG-CHWSQXEVSA-N 0 3 274.364 2.401 20 30 CEEDHN COCC[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(C)o1 ZINC000599359127 346506163 /nfs/dbraw/zinc/50/61/63/346506163.db2.gz OVZYNENSESLMQR-KBPBESRZSA-N 0 3 292.379 2.310 20 30 CEEDHN C[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccsc1 ZINC000599401435 346513816 /nfs/dbraw/zinc/51/38/16/346513816.db2.gz RBMBDSQMXRESGH-TZMCWYRMSA-N 0 3 294.420 2.470 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@@H]2CCc3c2cccc3O)CC1 ZINC000599432109 346518746 /nfs/dbraw/zinc/51/87/46/346518746.db2.gz HWXURSFSEKKSLQ-SMDDNHRTSA-N 0 3 272.348 2.024 20 30 CEEDHN COC(=O)[C@@H]1CN(Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599445703 346521420 /nfs/dbraw/zinc/52/14/20/346521420.db2.gz OGFUNNFBWJEIAC-IUODEOHRSA-N 0 3 272.348 2.108 20 30 CEEDHN CN(C(=O)C[C@@H]1NCc2ccccc21)[C@H]1CCC[C@@H]1C#N ZINC000602603436 347096550 /nfs/dbraw/zinc/09/65/50/347096550.db2.gz RXPMFNOCUUURBT-KCXAZCMYSA-N 0 3 283.375 2.372 20 30 CEEDHN Cc1ccc(CN2CC[C@@]3(CCOC3)C2)cc1C#N ZINC000599316354 346497964 /nfs/dbraw/zinc/49/79/64/346497964.db2.gz QESULTLWQBOTQX-MRXNPFEDSA-N 0 3 256.349 2.479 20 30 CEEDHN Cn1cncc1CCN1CCc2c(CC#N)cccc2C1 ZINC000599678143 346562077 /nfs/dbraw/zinc/56/20/77/346562077.db2.gz OWQCDMKFCLPGTM-UHFFFAOYSA-N 0 3 280.375 2.087 20 30 CEEDHN C[C@@H](O)CCCN1CCc2c(CC#N)cccc2C1 ZINC000599677327 346562405 /nfs/dbraw/zinc/56/24/05/346562405.db2.gz FEDAKKHVOOVZEJ-CYBMUJFWSA-N 0 3 258.365 2.272 20 30 CEEDHN Cc1ccc(CN2C[C@@H]3COC[C@@]3(C)C2)cc1C#N ZINC000599466917 346525293 /nfs/dbraw/zinc/52/52/93/346525293.db2.gz DKNBAHCOESINFL-HZPDHXFCSA-N 0 3 256.349 2.335 20 30 CEEDHN N#CCc1ccc(CN2CCC(N3CCOCC3)CC2)cc1 ZINC000599471845 346525882 /nfs/dbraw/zinc/52/58/82/346525882.db2.gz DHFSXKHJAPXDSM-UHFFFAOYSA-N 0 3 299.418 2.049 20 30 CEEDHN CC(C)NC(=O)CCN1CCc2c(CC#N)cccc2C1 ZINC000599679400 346563662 /nfs/dbraw/zinc/56/36/62/346563662.db2.gz RDPHIHFOHGCUAR-UHFFFAOYSA-N 0 3 285.391 2.025 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000599526208 346532204 /nfs/dbraw/zinc/53/22/04/346532204.db2.gz HNXWPRRSYKDODY-CYBMUJFWSA-N 0 3 287.363 2.233 20 30 CEEDHN C[C@@H](CCC#N)C[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000602612265 347102120 /nfs/dbraw/zinc/10/21/20/347102120.db2.gz HEKOUMKKLONQTL-JSGCOSHPSA-N 0 3 269.352 2.424 20 30 CEEDHN C[C@@H](CCC#N)CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000602612265 347102122 /nfs/dbraw/zinc/10/21/22/347102122.db2.gz HEKOUMKKLONQTL-JSGCOSHPSA-N 0 3 269.352 2.424 20 30 CEEDHN N#CCc1cccc2c1CCN(C[C@@H]1CCCO1)C2 ZINC000599686703 346565260 /nfs/dbraw/zinc/56/52/60/346565260.db2.gz WCAFISJSYDFQJG-HNNXBMFYSA-N 0 3 256.349 2.290 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000129162332 365831724 /nfs/dbraw/zinc/83/17/24/365831724.db2.gz RFPOZURZGXPWCN-GXTWGEPZSA-N 0 3 283.375 2.222 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000129162719 365832171 /nfs/dbraw/zinc/83/21/71/365832171.db2.gz RFPOZURZGXPWCN-TZMCWYRMSA-N 0 3 283.375 2.222 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](C/C=C/C)C1 ZINC000599693251 346568988 /nfs/dbraw/zinc/56/89/88/346568988.db2.gz YQFTVMSKUIJKBH-CNPQOGTOSA-N 0 3 293.411 2.065 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cccc(C#N)c2)C1 ZINC000335577522 212289700 /nfs/dbraw/zinc/28/97/00/212289700.db2.gz FNIOWQZDVJTHGL-OAHLLOKOSA-N 0 3 271.364 2.113 20 30 CEEDHN CC(C)Oc1ccc(CNC[C@@H](O)CC2(C#N)CC2)cn1 ZINC000600717222 346677306 /nfs/dbraw/zinc/67/73/06/346677306.db2.gz PIINLGAYPVJKMV-AWEZNQCLSA-N 0 3 289.379 2.013 20 30 CEEDHN Cc1ccc2c(c1)[C@@H](NC[C@@H](O)CC1(C#N)CC1)CO2 ZINC000600728664 346679551 /nfs/dbraw/zinc/67/95/51/346679551.db2.gz ASCQDXGEHSTUON-JSGCOSHPSA-N 0 3 272.348 2.073 20 30 CEEDHN Cc1cscc1CNC[C@@H](O)CC1(C#N)CCOCC1 ZINC000600735291 346681372 /nfs/dbraw/zinc/68/13/72/346681372.db2.gz SJAOVJZVTBZQOC-AWEZNQCLSA-N 0 3 294.420 2.218 20 30 CEEDHN C=CCOc1ccc(CNC[C@H](O)CC2(C#N)CC2)cc1 ZINC000600740598 346682943 /nfs/dbraw/zinc/68/29/43/346682943.db2.gz JKWSEDBIIYPUNR-OAHLLOKOSA-N 0 3 286.375 2.396 20 30 CEEDHN N#Cc1ccc(CN2CCNC[C@@H]2c2ccccc2)o1 ZINC000600768868 346686398 /nfs/dbraw/zinc/68/63/98/346686398.db2.gz HGCWKXAIVFTNSW-MRXNPFEDSA-N 0 3 267.332 2.298 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CNc3ccccc3C2)o1 ZINC000600770156 346687008 /nfs/dbraw/zinc/68/70/08/346687008.db2.gz VVXABQKQWHYKJO-LBPRGKRZSA-N 0 3 253.305 2.278 20 30 CEEDHN N#C[C@H]1CC[C@@H](n2cc(CCN3CCCCC3)nn2)C1 ZINC000600812784 346695056 /nfs/dbraw/zinc/69/50/56/346695056.db2.gz FXAXUJGTIRMHOI-DZGCQCFKSA-N 0 3 273.384 2.171 20 30 CEEDHN N#C[C@@H]1CC[C@@H](n2cc(CCN3CCCCC3)nn2)C1 ZINC000600812789 346695178 /nfs/dbraw/zinc/69/51/78/346695178.db2.gz FXAXUJGTIRMHOI-UKRRQHHQSA-N 0 3 273.384 2.171 20 30 CEEDHN Cc1cc(C#N)cc(N(C)[C@@H]2CCN(C)[C@@H](C)C2)n1 ZINC000601118235 346757559 /nfs/dbraw/zinc/75/75/59/346757559.db2.gz ASLSDJRMDAHCIP-GXTWGEPZSA-N 0 3 258.369 2.181 20 30 CEEDHN Cc1cc(C#N)cc(N2CCN(C)C[C@@H]2C(C)C)n1 ZINC000601120013 346758592 /nfs/dbraw/zinc/75/85/92/346758592.db2.gz CXXOUNXNGJKAIS-CQSZACIVSA-N 0 3 258.369 2.038 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1cc(C#N)nc(C2CC2)n1 ZINC000601125514 346761048 /nfs/dbraw/zinc/76/10/48/346761048.db2.gz HNGJYXVZEJVKGJ-RISCZKNCSA-N 0 3 285.395 2.002 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ncc(C#N)c2ccsc21 ZINC000601129652 346763251 /nfs/dbraw/zinc/76/32/51/346763251.db2.gz VQIGTYLLGJYGMR-IINYFYTJSA-N 0 3 298.415 2.484 20 30 CEEDHN CC[C@@H]1CN(CC)CCN1c1cc(C#N)cc(C)n1 ZINC000601170592 346776460 /nfs/dbraw/zinc/77/64/60/346776460.db2.gz BPLIVRBTAIBSFQ-CQSZACIVSA-N 0 3 258.369 2.182 20 30 CEEDHN CCCN1CC[C@H](Nc2ncc(C#N)c3ccsc32)C1 ZINC000601196350 346784606 /nfs/dbraw/zinc/78/46/06/346784606.db2.gz HWFMTCFFZKIOFZ-LBPRGKRZSA-N 0 3 286.404 2.486 20 30 CEEDHN Cc1cccc(CN2CC[C@H](Nc3cnc(C#N)cn3)C2)c1 ZINC000601239041 346799756 /nfs/dbraw/zinc/79/97/56/346799756.db2.gz GHOUYNQXHHVCKV-HNNXBMFYSA-N 0 3 293.374 2.343 20 30 CEEDHN C[C@@H](CCC#N)CN1CCC(Oc2cnccn2)CC1 ZINC000602638695 347118074 /nfs/dbraw/zinc/11/80/74/347118074.db2.gz FURNCCCRUAPKBM-ZDUSSCGKSA-N 0 3 274.368 2.260 20 30 CEEDHN COC(=O)c1cc(CNCc2ccc(CC#N)cc2)[nH]c1C ZINC000602701459 347157689 /nfs/dbraw/zinc/15/76/89/347157689.db2.gz UAYJJHWGQASVIE-UHFFFAOYSA-N 0 3 297.358 2.466 20 30 CEEDHN C[C@@H](CCC#N)CN[C@@H]1Cc2ccccc2N(C)C1=O ZINC000602705453 347160371 /nfs/dbraw/zinc/16/03/71/347160371.db2.gz GEELKJBXIYIUHJ-GXTWGEPZSA-N 0 3 271.364 2.104 20 30 CEEDHN CCOC(=O)CCN(Cc1cccc(C#N)n1)C(C)C ZINC000602709520 347163866 /nfs/dbraw/zinc/16/38/66/347163866.db2.gz KHQGXBCRDRYCJE-UHFFFAOYSA-N 0 3 275.352 2.117 20 30 CEEDHN COC(=O)c1ccc(CNC[C@@H](C)CCC#N)o1 ZINC000602655966 347126864 /nfs/dbraw/zinc/12/68/64/347126864.db2.gz JMKDGTDUSAYDQJ-JTQLQIEISA-N 0 3 250.298 2.096 20 30 CEEDHN CO[C@@H](CNCc1ccc(C#N)c(Cl)c1)[C@H]1CCOC1 ZINC000602659093 347127834 /nfs/dbraw/zinc/12/78/34/347127834.db2.gz NAPWJBHBTPBALD-ZFWWWQNUSA-N 0 3 294.782 2.353 20 30 CEEDHN C[C@H](CCC#N)CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000602660554 347128750 /nfs/dbraw/zinc/12/87/50/347128750.db2.gz FOBWHWREDNAUEC-IJLUTSLNSA-N 0 3 278.318 2.419 20 30 CEEDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1cccc(C#N)n1 ZINC000602663230 347130611 /nfs/dbraw/zinc/13/06/11/347130611.db2.gz RDGDHOAHDOLSIP-CJNGLKHVSA-N 0 3 273.380 2.469 20 30 CEEDHN C[C@H](CCC#N)CN1CCCN(CC(F)F)CC1 ZINC000602666004 347131497 /nfs/dbraw/zinc/13/14/97/347131497.db2.gz HUTPECAXGYCYPO-GFCCVEGCSA-N 0 3 259.344 2.199 20 30 CEEDHN Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1ccc(C#N)cc1 ZINC000602768493 347190556 /nfs/dbraw/zinc/19/05/56/347190556.db2.gz WCBQCYHQJMGMGZ-UHFFFAOYSA-N 0 3 299.334 2.103 20 30 CEEDHN CC[C@]1(O)CCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000602738235 347180054 /nfs/dbraw/zinc/18/00/54/347180054.db2.gz BOSOVFAROHFHQV-INIZCTEOSA-N 0 3 274.364 2.304 20 30 CEEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cc[nH]c(=O)c1 ZINC000602764658 347188456 /nfs/dbraw/zinc/18/84/56/347188456.db2.gz FSGZLAQHMQLBAF-UHFFFAOYSA-N 0 3 297.358 2.307 20 30 CEEDHN CN(C[C@H](O)Cc1ccccc1)CC1(CC#N)CC1 ZINC000602840203 347220052 /nfs/dbraw/zinc/22/00/52/347220052.db2.gz MBYLBWJVLOCBAR-OAHLLOKOSA-N 0 3 258.365 2.216 20 30 CEEDHN C[C@H]1CN(CCN(C)c2ccccc2)C[C@H](C)N1CC#N ZINC000602861174 347229314 /nfs/dbraw/zinc/22/93/14/347229314.db2.gz KZUCPEKDJXJSRB-HOTGVXAUSA-N 0 3 286.423 2.041 20 30 CEEDHN C[C@H](O)CCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908220 347244149 /nfs/dbraw/zinc/24/41/49/347244149.db2.gz ZWLVGNMIDXHGDT-ZDUSSCGKSA-N 0 3 273.380 2.294 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1C[C@H]2C[C@@]2(O)C1 ZINC000603090754 347285499 /nfs/dbraw/zinc/28/54/99/347285499.db2.gz RQIOKBXINLPPRT-CZUORRHYSA-N 0 3 256.349 2.054 20 30 CEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1ccnc(C#N)c1 ZINC000603126458 347291957 /nfs/dbraw/zinc/29/19/57/347291957.db2.gz PDTOTCXQHPCBNQ-WFASDCNBSA-N 0 3 299.378 2.044 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)N1CCCN(c2ccncc2)CC1 ZINC000603084528 347284100 /nfs/dbraw/zinc/28/41/00/347284100.db2.gz RYEUYSTUICNMRT-INIZCTEOSA-N 0 3 286.379 2.060 20 30 CEEDHN CC[C@@](C)(N)c1cn(Cc2cn3ccccc3c2C#N)nn1 ZINC000603190181 347303989 /nfs/dbraw/zinc/30/39/89/347303989.db2.gz LZGCJDHKROFJNP-MRXNPFEDSA-N 0 3 294.362 2.035 20 30 CEEDHN COc1ccc(Cn2cc([C@H](N)C(C)(C)C)nn2)cc1C#N ZINC000603230344 347316747 /nfs/dbraw/zinc/31/67/47/347316747.db2.gz XYZCBYPEZCKUOM-HNNXBMFYSA-N 0 3 299.378 2.253 20 30 CEEDHN CN(CCCN(C)c1cccc(C#N)n1)Cc1ccncc1 ZINC000603402455 347360289 /nfs/dbraw/zinc/36/02/89/347360289.db2.gz SOAQGBOHJYZOJD-UHFFFAOYSA-N 0 3 295.390 2.307 20 30 CEEDHN N#CCCCN1CCC(CC(=O)NC2CCCC2)CC1 ZINC000604415725 347414497 /nfs/dbraw/zinc/41/44/97/347414497.db2.gz CELCDWAGTAJUPT-UHFFFAOYSA-N 0 3 277.412 2.451 20 30 CEEDHN C=CC[C@H](CO)NCc1cn(C)nc1-c1ccccc1 ZINC000680484455 539565294 /nfs/dbraw/zinc/56/52/94/539565294.db2.gz JVFJTAOAJCKKGZ-OAHLLOKOSA-N 0 3 271.364 2.114 20 30 CEEDHN CC#CCN1CCC(CC(=O)NC2CCCC2)CC1 ZINC000607727748 347532752 /nfs/dbraw/zinc/53/27/52/347532752.db2.gz WTFUGUOADZZGMZ-UHFFFAOYSA-N 0 3 262.397 2.171 20 30 CEEDHN CN(CCCCC#N)CC(=O)N(C)C1CCCCC1 ZINC000608832242 347621999 /nfs/dbraw/zinc/62/19/99/347621999.db2.gz IDQLQLLDPNNRHS-UHFFFAOYSA-N 0 3 265.401 2.403 20 30 CEEDHN CC1(C)Cc2cccc(CNC3CCN(CC#N)CC3)c2O1 ZINC000610007509 347657502 /nfs/dbraw/zinc/65/75/02/347657502.db2.gz COPLKUSWOOEYAG-UHFFFAOYSA-N 0 3 299.418 2.478 20 30 CEEDHN CC(C)[C@@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)N(C)C ZINC000610364888 347676208 /nfs/dbraw/zinc/67/62/08/347676208.db2.gz WFXWCWIXSQLZQL-WFASDCNBSA-N 0 3 273.380 2.322 20 30 CEEDHN CCO[C@@H]1C[C@H](NC(=O)C(C)C#N)C12CCCCC2 ZINC000610492670 347685292 /nfs/dbraw/zinc/68/52/92/347685292.db2.gz GFZYJQRLADKZNJ-FRRDWIJNSA-N 0 3 264.369 2.390 20 30 CEEDHN COC[C@H]1CCCN1CCC(=O)Nc1sccc1C#N ZINC000610605295 347696235 /nfs/dbraw/zinc/69/62/35/347696235.db2.gz WMSBAYSRCMMOFN-GFCCVEGCSA-N 0 3 293.392 2.059 20 30 CEEDHN CCc1nnc(N[C@@H]2CCN(CC3CC3)C2)c(C#N)c1CC ZINC000610715723 347705777 /nfs/dbraw/zinc/70/57/77/347705777.db2.gz VDLOPKIJNKAGOH-CYBMUJFWSA-N 0 3 299.422 2.369 20 30 CEEDHN CN1CCC[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1=O ZINC000611393594 347773369 /nfs/dbraw/zinc/77/33/69/347773369.db2.gz IKALVOLSPFQHHT-HZPDHXFCSA-N 0 3 283.375 2.146 20 30 CEEDHN CN1CCC[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C1=O ZINC000611393595 347773589 /nfs/dbraw/zinc/77/35/89/347773589.db2.gz IKALVOLSPFQHHT-JKSUJKDBSA-N 0 3 283.375 2.146 20 30 CEEDHN C=C(C)[C@H](CO)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000611072206 347735980 /nfs/dbraw/zinc/73/59/80/347735980.db2.gz MCFYNKZEJBGVHU-SFHVURJKSA-N 0 3 299.418 2.003 20 30 CEEDHN N#Cc1cc(CN2CC[C@@H](C3CCOCC3)C2)ccn1 ZINC000611110068 347739364 /nfs/dbraw/zinc/73/93/64/347739364.db2.gz XKWROVGVPCBWFK-OAHLLOKOSA-N 0 3 271.364 2.202 20 30 CEEDHN COC1CCN(CCN[C@H](C)c2cccc(C#N)c2)CC1 ZINC000611438657 347780086 /nfs/dbraw/zinc/78/00/86/347780086.db2.gz VULUOPJAEHXKJE-CQSZACIVSA-N 0 3 287.407 2.320 20 30 CEEDHN Cc1ncc([C@H](C)NC2CCN(CC#N)CC2)s1 ZINC000611184014 347749019 /nfs/dbraw/zinc/74/90/19/347749019.db2.gz DFEJCJSDUXASNB-JTQLQIEISA-N 0 3 264.398 2.090 20 30 CEEDHN COC[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)OC ZINC000611591508 347798193 /nfs/dbraw/zinc/79/81/93/347798193.db2.gz KKAANICCCUMJKP-HOCLYGCPSA-N 0 3 274.364 2.187 20 30 CEEDHN CC1(C)CN(CCOc2ccc(C#N)cc2)CC[C@H]1O ZINC000336842726 365916982 /nfs/dbraw/zinc/91/69/82/365916982.db2.gz VCSYWDDDERDPKO-OAHLLOKOSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)N1[C@H](C)CC[C@@H]1C ZINC000612397471 347879532 /nfs/dbraw/zinc/87/95/32/347879532.db2.gz SLALYWXRFNVKMS-CTASWTNQSA-N 0 3 277.412 2.400 20 30 CEEDHN CN1CC=C(CNc2cc(C#N)nc3ccccc32)CC1 ZINC000612794042 347926964 /nfs/dbraw/zinc/92/69/64/347926964.db2.gz XPPSAZVSQDQPIF-UHFFFAOYSA-N 0 3 278.359 2.202 20 30 CEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1Cc1nc(C#N)cs1 ZINC000356322092 232815755 /nfs/dbraw/zinc/81/57/55/232815755.db2.gz QPVLWMKKLSIKSR-WCQYABFASA-N 0 3 276.409 2.073 20 30 CEEDHN CCOC(=O)[C@@H]1CC[C@H](NCC(C)(C)C#N)C[C@@H]1C ZINC000613145968 347981403 /nfs/dbraw/zinc/98/14/03/347981403.db2.gz XVPURNPYOBJBOV-RWMBFGLXSA-N 0 3 266.385 2.494 20 30 CEEDHN C[S@](=O)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000613661442 348085966 /nfs/dbraw/zinc/08/59/66/348085966.db2.gz OAZJKZWYKAAONX-VFVRVIDISA-N 0 3 262.378 2.206 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CC[C@H](N2CCCC2=O)C1 ZINC000614403203 348194789 /nfs/dbraw/zinc/19/47/89/348194789.db2.gz KBZNEQCCNLCDCP-INIZCTEOSA-N 0 3 283.375 2.063 20 30 CEEDHN COCC1(CCNCc2nc(C#N)cs2)CCC1 ZINC000339458030 215184401 /nfs/dbraw/zinc/18/44/01/215184401.db2.gz VYRMQUGCBMXRBZ-UHFFFAOYSA-N 0 3 265.382 2.311 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000617779215 348789462 /nfs/dbraw/zinc/78/94/62/348789462.db2.gz XGCZNYAYIBDGOW-KBPBESRZSA-N 0 3 250.386 2.143 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](N[C@H](CO)c2ccsc2)C1 ZINC000618578580 348981916 /nfs/dbraw/zinc/98/19/16/348981916.db2.gz HURWJUQNMFHHRN-RAIGVLPGSA-N 0 3 250.367 2.453 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000618982267 349084203 /nfs/dbraw/zinc/08/42/03/349084203.db2.gz AJJRKCRUBYHFEU-CYBMUJFWSA-N 0 3 252.402 2.435 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000618985383 349086127 /nfs/dbraw/zinc/08/61/27/349086127.db2.gz IMIQHMBGJDLLFW-RDJZCZTQSA-N 0 3 296.455 2.452 20 30 CEEDHN C[C@H]1C[C@H](NCc2ccc(C#N)c(F)c2)CN1C1CC1 ZINC000404674741 233193935 /nfs/dbraw/zinc/19/39/35/233193935.db2.gz FSQCJKDBSBOUEC-FZMZJTMJSA-N 0 3 273.355 2.412 20 30 CEEDHN CC(C)C1CN(C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000619506700 349190664 /nfs/dbraw/zinc/19/06/64/349190664.db2.gz SLGAVSANLWLDQV-INIZCTEOSA-N 0 3 288.391 2.080 20 30 CEEDHN CC(C#N)C(=O)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000619677056 349216030 /nfs/dbraw/zinc/21/60/30/349216030.db2.gz IAHJGHKIIXLHCQ-TZMCWYRMSA-N 0 3 297.358 2.097 20 30 CEEDHN COCCN1CC[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619748417 349232413 /nfs/dbraw/zinc/23/24/13/349232413.db2.gz KSCFTQHVWUHEOQ-CQSZACIVSA-N 0 3 293.798 2.022 20 30 CEEDHN CC(C)[C@H](C(=O)NCc1ccc(C#N)c(Cl)c1)N(C)C ZINC000619780111 349235173 /nfs/dbraw/zinc/23/51/73/349235173.db2.gz FJAVECNQEYTHRK-CQSZACIVSA-N 0 3 293.798 2.414 20 30 CEEDHN C=CCCOCC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000620723126 349425343 /nfs/dbraw/zinc/42/53/43/349425343.db2.gz LULYIMOGXPYYGY-INIZCTEOSA-N 0 3 290.407 2.307 20 30 CEEDHN C=CC[C@@H](C)NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623623339 350067872 /nfs/dbraw/zinc/06/78/72/350067872.db2.gz JAIJQKUQXSWXBQ-OCCSQVGLSA-N 0 3 265.401 2.267 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@]2(C1)OCc1ccccc12 ZINC000681168024 539757033 /nfs/dbraw/zinc/75/70/33/539757033.db2.gz AWBRTUIZBRQSRQ-JKSUJKDBSA-N 0 3 259.349 2.055 20 30 CEEDHN C=CCSCCNCc1cnc2c(c1)c(C)nn2C ZINC000105462331 186057823 /nfs/dbraw/zinc/05/78/23/186057823.db2.gz OQRGBEQKPBFIKL-UHFFFAOYSA-N 0 3 276.409 2.286 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC#CCN1C(=O)c2ccccc2C1=O ZINC000625224667 350435254 /nfs/dbraw/zinc/43/52/54/350435254.db2.gz QBEDEMDFJBXOIG-KBPBESRZSA-N 0 3 296.370 2.159 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccsc2)CC1 ZINC000106039440 186099847 /nfs/dbraw/zinc/09/98/47/186099847.db2.gz MTVCCZPWUNFBMO-UHFFFAOYSA-N 0 3 278.421 2.447 20 30 CEEDHN CN1CCC[C@H](CNC(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000108345342 186212384 /nfs/dbraw/zinc/21/23/84/186212384.db2.gz ZEVCLGIWNZVSBG-KXPUMZMLSA-N 0 3 283.375 2.029 20 30 CEEDHN C#CCCCN1CCc2ccc(C(=O)OC)cc2C1 ZINC000271380465 191108478 /nfs/dbraw/zinc/10/84/78/191108478.db2.gz SYCJWABFGCDWBP-UHFFFAOYSA-N 0 3 257.333 2.245 20 30 CEEDHN C[C@H](O)[C@H]1CCCCN1CCOc1ccc(C#N)cc1 ZINC000069876929 363010903 /nfs/dbraw/zinc/01/09/03/363010903.db2.gz PXQOAMJOXDAKAD-XJKSGUPXSA-N 0 3 274.364 2.172 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000628966555 351229069 /nfs/dbraw/zinc/22/90/69/351229069.db2.gz BCJLDSNGZDEQGZ-DZGCQCFKSA-N 0 3 280.412 2.101 20 30 CEEDHN C[C@H]1CSCCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000070219781 363057087 /nfs/dbraw/zinc/05/70/87/363057087.db2.gz QGCZIZWNVOXHRA-LBPRGKRZSA-N 0 3 289.404 2.324 20 30 CEEDHN C=CCN1CC[C@@H](N(CCC)C[C@H]2CCCCO2)C1=O ZINC000337156746 366044911 /nfs/dbraw/zinc/04/49/11/366044911.db2.gz 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/nfs/dbraw/zinc/12/40/91/283124091.db2.gz BGGDLCOIIWQMEE-ZDUSSCGKSA-N 0 3 287.363 2.242 20 30 CEEDHN N#Cc1ccc(CNCCCO)c(C(F)(F)F)c1 ZINC000352833927 283145384 /nfs/dbraw/zinc/14/53/84/283145384.db2.gz JJHBMBUVSOQWPW-UHFFFAOYSA-N 0 3 258.243 2.049 20 30 CEEDHN N#Cc1ccc(N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301141772 283167056 /nfs/dbraw/zinc/16/70/56/283167056.db2.gz GDZXVYWMHIBZNI-ZDUSSCGKSA-N 0 3 286.335 2.141 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000338297736 366281070 /nfs/dbraw/zinc/28/10/70/366281070.db2.gz QYLQYVYRMWBBBS-WDEREUQCSA-N 0 3 278.327 2.375 20 30 CEEDHN CC(C)OCC[C@@H](O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000338362625 366317606 /nfs/dbraw/zinc/31/76/06/366317606.db2.gz RIOQJOULLYRJFS-XJKSGUPXSA-N 0 3 276.380 2.385 20 30 CEEDHN CC(C)(C)C1=CCN(CCNc2nccc(C#N)n2)CC1 ZINC000575849870 366365333 /nfs/dbraw/zinc/36/53/33/366365333.db2.gz TXOWELRALLBBPN-UHFFFAOYSA-N 0 3 285.395 2.438 20 30 CEEDHN CC(C)(C)NC(=O)CCNCc1cc(C#N)cs1 ZINC000134853720 366366149 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/nfs/dbraw/zinc/56/99/22/366569922.db2.gz KEQDLJAZLPLFSV-BFHYXJOUSA-N 0 3 258.369 2.292 20 30 CEEDHN CCS(=O)(=O)CCCN[C@@H](C)c1cccc(C#N)c1 ZINC000341794669 216107842 /nfs/dbraw/zinc/10/78/42/216107842.db2.gz ZVCCUAZNYUDVBR-LBPRGKRZSA-N 0 3 280.393 2.034 20 30 CEEDHN CNC(=O)[C@@H](C)CN(C)CC#Cc1ccc(Cl)cc1 ZINC000177367360 189046503 /nfs/dbraw/zinc/04/65/03/189046503.db2.gz HORKDFLQDMWVNN-LBPRGKRZSA-N 0 3 278.783 2.005 20 30 CEEDHN C=CCC[C@@H](O)CN(C)C[C@H]1COc2ccccc2O1 ZINC000178029116 189086893 /nfs/dbraw/zinc/08/68/93/189086893.db2.gz CKJRLGNRSWRWPX-KGLIPLIRSA-N 0 3 277.364 2.085 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000675493123 540847637 /nfs/dbraw/zinc/84/76/37/540847637.db2.gz SEQQVCKKXLGHCB-HUUCEWRRSA-N 0 3 275.396 2.292 20 30 CEEDHN Cc1nn(C)c(N2CCN(CCC(C)(C)C)CC2)c1C#N ZINC000342145976 216238170 /nfs/dbraw/zinc/23/81/70/216238170.db2.gz WWBYHUAJKTUCEL-UHFFFAOYSA-N 0 3 289.427 2.158 20 30 CEEDHN C=CCOc1cccc(CN2CCC(C(=O)NC)CC2)c1 ZINC000179822734 189222750 /nfs/dbraw/zinc/22/27/50/189222750.db2.gz WOILDHRLGGEJNZ-UHFFFAOYSA-N 0 3 288.391 2.209 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(CC)ccn2)CC1 ZINC000180178764 189241072 /nfs/dbraw/zinc/24/10/72/189241072.db2.gz VIXGQLHRABQQFQ-UHFFFAOYSA-N 0 3 273.380 2.024 20 30 CEEDHN COCC#CCN1CCCN(Cc2ccccc2C)CC1 ZINC000677817225 541045838 /nfs/dbraw/zinc/04/58/38/541045838.db2.gz KWMORPMAFPAYMY-UHFFFAOYSA-N 0 3 286.419 2.153 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(C#N)o1 ZINC000340043778 366752090 /nfs/dbraw/zinc/75/20/90/366752090.db2.gz ACKWYWDFIRYNLA-TXEJJXNPSA-N 0 3 275.352 2.144 20 30 CEEDHN CNC(=O)CCCN(C)CC#Cc1ccccc1Cl ZINC000155226977 366811232 /nfs/dbraw/zinc/81/12/32/366811232.db2.gz DCCQCOFZGMOATP-UHFFFAOYSA-N 0 3 278.783 2.150 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000342449240 216356384 /nfs/dbraw/zinc/35/63/84/216356384.db2.gz NCHHBNKJAVEVHP-SUMWQHHRSA-N 0 3 297.402 2.090 20 30 CEEDHN C=C1CCN(Cc2ccccc2-n2cncn2)CC1 ZINC000678242568 541099683 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364530816 /nfs/dbraw/zinc/53/08/16/364530816.db2.gz WOOKDKWXUIOFNJ-HNNXBMFYSA-N 0 3 285.391 2.317 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158538521 366858877 /nfs/dbraw/zinc/85/88/77/366858877.db2.gz DCYBYFZVZDKCIU-INIZCTEOSA-N 0 3 278.396 2.343 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)N2CCC(CCC#N)CC2)CCN1C ZINC000335365452 364693884 /nfs/dbraw/zinc/69/38/84/364693884.db2.gz SPNPSKSFFNXTRL-UKRRQHHQSA-N 0 3 292.427 2.194 20 30 CEEDHN C=CC1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000111693262 364753068 /nfs/dbraw/zinc/75/30/68/364753068.db2.gz JNGUHXRIWZTRIN-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN COC[C@@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000112985386 364863092 /nfs/dbraw/zinc/86/30/92/364863092.db2.gz PUSPCUYWPWRFHA-CQSZACIVSA-N 0 3 274.364 2.295 20 30 CEEDHN C=CC[C@H](C)NC(=O)NC1CCN(CC(=C)C)CC1 ZINC000116956684 365083133 /nfs/dbraw/zinc/08/31/33/365083133.db2.gz UBGLXFCMNSTJFQ-ZDUSSCGKSA-N 0 3 265.401 2.291 20 30 CEEDHN CCN(CC(=O)N(CCC#N)CCC#N)[C@H](C)C(C)C ZINC000118833074 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368023233 /nfs/dbraw/zinc/02/32/33/368023233.db2.gz NWCMNCDHMRVYEZ-UHFFFAOYSA-N 0 3 290.363 2.388 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@](C)(CC)C2)CC1 ZINC000344067239 368105924 /nfs/dbraw/zinc/10/59/24/368105924.db2.gz YYQOLUWWKCFMOJ-INIZCTEOSA-N 0 3 279.428 2.468 20 30 CEEDHN CCCN1CCC[C@@H]1CNc1nccc(C#N)c1Cl ZINC000343913016 368071456 /nfs/dbraw/zinc/07/14/56/368071456.db2.gz MTLPKBWXZLIZNX-GFCCVEGCSA-N 0 3 278.787 2.315 20 30 CEEDHN CC[C@@H](C)[C@](C)(O)CNCc1cnc2ccc(C#N)cn12 ZINC000304258251 201642357 /nfs/dbraw/zinc/64/23/57/201642357.db2.gz SGSUODKANMBFHZ-MLGOLLRUSA-N 0 3 286.379 2.093 20 30 CEEDHN Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)C(C)C#N)o1 ZINC000345517875 368308873 /nfs/dbraw/zinc/30/88/73/368308873.db2.gz AERQLJLONXWEHW-HZMBPMFUSA-N 0 3 296.330 2.164 20 30 CEEDHN C=CCC1(NC(=O)c2cnn(CCN(C)C)c2)CCCC1 ZINC000633638210 368339416 /nfs/dbraw/zinc/33/94/16/368339416.db2.gz LLXCYCQJCMJKJT-UHFFFAOYSA-N 0 3 290.411 2.063 20 30 CEEDHN C[C@H](CCC1CC1)N[C@@H](C(N)=O)c1ccc(C#N)cc1 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ZINC000346450525 368679504 /nfs/dbraw/zinc/67/95/04/368679504.db2.gz OYLVZHMYTUYBLS-AGIUHOORSA-N 0 3 253.390 2.123 20 30 CEEDHN C[C@@H](CO)N1CCCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000346675782 368764792 /nfs/dbraw/zinc/76/47/92/368764792.db2.gz JJQQAYWKGDXVGI-GJZGRUSLSA-N 0 3 287.407 2.008 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@]1(C)CCOC1)C(C)C ZINC000347848735 368821198 /nfs/dbraw/zinc/82/11/98/368821198.db2.gz MPOIQRSOCKEYEJ-WBVHZDCISA-N 0 3 294.439 2.228 20 30 CEEDHN CCOC[C@@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347969597 368842161 /nfs/dbraw/zinc/84/21/61/368842161.db2.gz ACIJNGRTISKPGM-KRWDZBQOSA-N 0 3 286.375 2.045 20 30 CEEDHN C[C@@H]1C[C@@H](O)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000346734700 368787525 /nfs/dbraw/zinc/78/75/25/368787525.db2.gz RWMBCUDCXNUWMV-KBMXLJTQSA-N 0 3 286.375 2.131 20 30 CEEDHN C=CCOCCCN1CCc2ccccc2[C@H]1CO ZINC000348045957 368872197 /nfs/dbraw/zinc/87/21/97/368872197.db2.gz CWSOQVBGWQHJKE-MRXNPFEDSA-N 0 3 261.365 2.171 20 30 CEEDHN C=CCOCCCN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000348183208 368938680 /nfs/dbraw/zinc/93/86/80/368938680.db2.gz SWAKFUVXYLLBTP-NEPJUHHUSA-N 0 3 281.318 2.214 20 30 CEEDHN CN(Cc1cc(C#N)ccc1F)[C@@H]1CCN(C2CC2)C1 ZINC000348217358 368953515 /nfs/dbraw/zinc/95/35/15/368953515.db2.gz PSKZKNKJTQCMIG-OAHLLOKOSA-N 0 3 273.355 2.366 20 30 CEEDHN CCO[C@@H]1C[C@@](CO)(NCc2cccc(C#N)c2)C1(C)C ZINC000186593745 369002511 /nfs/dbraw/zinc/00/25/11/369002511.db2.gz BQIIZCRUWFZAJL-WBVHZDCISA-N 0 3 288.391 2.214 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C=CCCC2)cc1 ZINC000348327164 369004253 /nfs/dbraw/zinc/00/42/53/369004253.db2.gz WKZVDFCSNPLKKE-JKSUJKDBSA-N 0 3 279.343 2.465 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000186688336 369019201 /nfs/dbraw/zinc/01/92/01/369019201.db2.gz ZFTLDNGZZQWOKA-RRUGBERISA-N 0 3 267.394 2.012 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000186691576 369021355 /nfs/dbraw/zinc/02/13/55/369021355.db2.gz UBICPQYMHLRKGL-GXTWGEPZSA-N 0 3 290.363 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C=CC1CCN(C(=O)NC[C@@H]2CCCN2CCC)CC1 ZINC000358272921 370985516 /nfs/dbraw/zinc/98/55/16/370985516.db2.gz IZLBSMAYGJLQFY-HNNXBMFYSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CC[C@H](CO)NCc1cc(OC)c(OC)cc1C ZINC000351599214 369642222 /nfs/dbraw/zinc/64/22/22/369642222.db2.gz CTKQOCBTYUXBNM-CYBMUJFWSA-N 0 3 265.353 2.039 20 30 CEEDHN C=CCCCCNC(=O)NCCN1CCC(C)CC1 ZINC000351680022 369648955 /nfs/dbraw/zinc/64/89/55/369648955.db2.gz QBFJHVAUFACZSY-UHFFFAOYSA-N 0 3 267.417 2.374 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC=CC1)C(C)C ZINC000636573879 369691549 /nfs/dbraw/zinc/69/15/49/369691549.db2.gz LBMDOGLVUTVJNS-OAHLLOKOSA-N 0 3 277.412 2.266 20 30 CEEDHN N#Cc1cc(CN[C@@H](CO)C2CCCC2)ccc1F ZINC000352703741 369846888 /nfs/dbraw/zinc/84/68/88/369846888.db2.gz CIEZLZBVFCWATP-HNNXBMFYSA-N 0 3 262.328 2.338 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H]1CSC[C@@H]1C ZINC000352817185 369893429 /nfs/dbraw/zinc/89/34/29/369893429.db2.gz QEIBCHVVDHOBMY-GXFFZTMASA-N 0 3 262.378 2.408 20 30 CEEDHN Cc1cc(CN2C[C@H](N3CCOCC3)C[C@@H]2C)ccc1C#N ZINC000352878297 369928229 /nfs/dbraw/zinc/92/82/29/369928229.db2.gz SYRSUWMPHRXIHN-MAUKXSAKSA-N 0 3 299.418 2.162 20 30 CEEDHN C[C@H]1C[C@H](CCNCc2nc(C#N)cs2)CCO1 ZINC000352907991 369943737 /nfs/dbraw/zinc/94/37/37/369943737.db2.gz WPKJULUBXRAHOG-WDEREUQCSA-N 0 3 265.382 2.310 20 30 CEEDHN CC(C)[C@@H]1CCN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000353032457 369992544 /nfs/dbraw/zinc/99/25/44/369992544.db2.gz WOJJDPFTGAHYHN-ZBFHGGJFSA-N 0 3 274.364 2.028 20 30 CEEDHN C=CCN1CCC(N[C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000195028358 370097622 /nfs/dbraw/zinc/09/76/22/370097622.db2.gz KDQGZNZSFHYWMO-INIZCTEOSA-N 0 3 297.406 2.134 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1C=C[C@H](CO)C1)CC2 ZINC000353262038 370102586 /nfs/dbraw/zinc/10/25/86/370102586.db2.gz DNLLAEDCYPCNGU-JGGQBBKZSA-N 0 3 254.333 2.072 20 30 CEEDHN COC[C@@H]1CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000354046711 370194458 /nfs/dbraw/zinc/19/44/58/370194458.db2.gz FOAACXMRMDRGBD-GJZGRUSLSA-N 0 3 272.348 2.006 20 30 CEEDHN CN(C)CCc1ccccc1NC(=O)c1cc(C#N)cn1C ZINC000354212569 370261527 /nfs/dbraw/zinc/26/15/27/370261527.db2.gz RLDYVQPGMCFLQB-UHFFFAOYSA-N 0 3 296.374 2.253 20 30 CEEDHN C=CCCOCCNCc1ccc(C(=O)OC)c(F)c1 ZINC000231823152 370495176 /nfs/dbraw/zinc/49/51/76/370495176.db2.gz DCSVPICVIVJSCF-UHFFFAOYSA-N 0 3 281.327 2.295 20 30 CEEDHN C=CC(C)(C)CCNC(=O)[C@H]1NCCCC1(C)C ZINC000638455563 370543164 /nfs/dbraw/zinc/54/31/64/370543164.db2.gz XZFLWSYUZYPHRO-GFCCVEGCSA-N 0 3 252.402 2.483 20 30 CEEDHN C=CC(C)(C)CCNC(=O)[C@H](CN)c1ccccc1 ZINC000638454616 370543405 /nfs/dbraw/zinc/54/34/05/370543405.db2.gz JZCUPLHQKHVSLB-CQSZACIVSA-N 0 3 260.381 2.447 20 30 CEEDHN COc1cc(CNCC2(O)CCCCC2)ccc1C#N ZINC000234905693 370548424 /nfs/dbraw/zinc/54/84/24/370548424.db2.gz VLANOTPWCUBOIE-UHFFFAOYSA-N 0 3 274.364 2.352 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000638472669 370556516 /nfs/dbraw/zinc/55/65/16/370556516.db2.gz VAFZMHQHSZRJOA-BBRMVZONSA-N 0 3 270.376 2.298 20 30 CEEDHN CC#CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000355159756 370527437 /nfs/dbraw/zinc/52/74/37/370527437.db2.gz BSAFQXLDZNDXNP-RDJZCZTQSA-N 0 3 299.418 2.362 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000355515817 370583386 /nfs/dbraw/zinc/58/33/86/370583386.db2.gz OJNPDVPXFDAISF-AWEZNQCLSA-N 0 3 286.375 2.480 20 30 CEEDHN C=CCCCN(C)C(=O)NCC1(SC)CCN(C)CC1 ZINC000358306449 371004958 /nfs/dbraw/zinc/00/49/58/371004958.db2.gz ZZXZKEJPWRQTTE-UHFFFAOYSA-N 0 3 299.484 2.421 20 30 CEEDHN C=C(CC)CN1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000358503915 371094387 /nfs/dbraw/zinc/09/43/87/371094387.db2.gz FGORBOMLZUPBCE-UHFFFAOYSA-N 0 3 277.368 2.022 20 30 CEEDHN C=C(CC)CN(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000358609480 371136773 /nfs/dbraw/zinc/13/67/73/371136773.db2.gz CPIVEKXALFDMHA-GFCCVEGCSA-N 0 3 282.409 2.293 20 30 CEEDHN C[C@@H](NCCN1CCCC1)c1ccc(C#N)cc1F ZINC000358587934 371128732 /nfs/dbraw/zinc/12/87/32/371128732.db2.gz LFIOGXDMEXCHOM-GFCCVEGCSA-N 0 3 261.344 2.444 20 30 CEEDHN C[C@@H]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@@H]1C ZINC000248326978 371174007 /nfs/dbraw/zinc/17/40/07/371174007.db2.gz CEBVGJITURVIPR-IOASZLSFSA-N 0 3 283.375 2.394 20 30 CEEDHN C[C@H]1CCN(Cc2cc(C#N)n(C)c2)C[C@H]1n1ccnc1 ZINC000248909823 371268161 /nfs/dbraw/zinc/26/81/61/371268161.db2.gz XTPJZKBDLXUSFF-XJKSGUPXSA-N 0 3 283.379 2.176 20 30 CEEDHN CN(C)c1cccc(NCc2ccc(C#N)cc2F)n1 ZINC000358996530 371296777 /nfs/dbraw/zinc/29/67/77/371296777.db2.gz TZRLIPMBTSUMFS-UHFFFAOYSA-N 0 3 270.311 2.192 20 30 CEEDHN C[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccc(C#N)cc1 ZINC000359315511 371425592 /nfs/dbraw/zinc/42/55/92/371425592.db2.gz DRGBFIQPGONTOM-WFASDCNBSA-N 0 3 298.390 2.155 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC000359479177 371463890 /nfs/dbraw/zinc/46/38/90/371463890.db2.gz YIBDWQXNSIUJFO-LLVKDONJSA-N 0 3 272.339 2.188 20 30 CEEDHN C=C(CC)CN(CCN1CCOCC1)[C@H]1CCSC1 ZINC000639773733 371559401 /nfs/dbraw/zinc/55/94/01/371559401.db2.gz FUMDVVJDIQAUIL-HNNXBMFYSA-N 0 3 284.469 2.092 20 30 CEEDHN CN(C)C1(CNC(=O)CCc2ccc(C#N)cc2)CCC1 ZINC000353310949 220021398 /nfs/dbraw/zinc/02/13/98/220021398.db2.gz HSFBXBCDULNETD-UHFFFAOYSA-N 0 3 285.391 2.091 20 30 CEEDHN CN(Cc1cc(C#N)cs1)[C@H]1CCN(C2CC2)C1 ZINC000353321634 220026300 /nfs/dbraw/zinc/02/63/00/220026300.db2.gz RRBLMHHEVBTQAI-ZDUSSCGKSA-N 0 3 261.394 2.288 20 30 CEEDHN CN(CC(=O)NCc1cccc(C#N)c1)C[C@H]1CC=CCC1 ZINC000344058491 217033366 /nfs/dbraw/zinc/03/33/66/217033366.db2.gz KUGBSBPHHFQWDK-HNNXBMFYSA-N 0 3 297.402 2.463 20 30 CEEDHN CCN(CC(=O)NCc1ccc(C#N)cc1)CC1CCC1 ZINC000361481690 371868893 /nfs/dbraw/zinc/86/88/93/371868893.db2.gz PUVPYNKMKQMLMW-UHFFFAOYSA-N 0 3 285.391 2.296 20 30 CEEDHN CCN(CC(=O)N[C@@](C)(C#N)C1CC1)CC(C)(C)C ZINC000361529472 371900656 /nfs/dbraw/zinc/90/06/56/371900656.db2.gz TVOKFTMQLYKGAP-HNNXBMFYSA-N 0 3 265.401 2.163 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000683789127 541860977 /nfs/dbraw/zinc/86/09/77/541860977.db2.gz JJKASVGQDNACAE-AWEZNQCLSA-N 0 3 291.399 2.017 20 30 CEEDHN C=CCCCC(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000361630667 371986592 /nfs/dbraw/zinc/98/65/92/371986592.db2.gz NNHOXDVLHSWNMW-KGLIPLIRSA-N 0 3 282.453 2.381 20 30 CEEDHN C=CCN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640561535 372037757 /nfs/dbraw/zinc/03/77/57/372037757.db2.gz JGGVUDUNLPHAIY-VXGBXAGGSA-N 0 3 259.271 2.297 20 30 CEEDHN C=CCCCCn1cc([C@H](N)C2CCOCC2)nn1 ZINC000640938990 372184415 /nfs/dbraw/zinc/18/44/15/372184415.db2.gz IECFOJFWUMRWDZ-CQSZACIVSA-N 0 3 264.373 2.061 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000268732124 372197581 /nfs/dbraw/zinc/19/75/81/372197581.db2.gz XPDCGUXMJCGCDF-MRXNPFEDSA-N 0 3 296.374 2.194 20 30 CEEDHN C[C@@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)C1=CCN(C)CC1 ZINC000362226554 372276004 /nfs/dbraw/zinc/27/60/04/372276004.db2.gz HVZALBNTEGNDNQ-UONOGXRCSA-N 0 3 297.402 2.428 20 30 CEEDHN C[C@@H](CNC(=O)Nc1ccc(C#N)cc1Cl)N(C)C ZINC000269136995 372354501 /nfs/dbraw/zinc/35/45/01/372354501.db2.gz MYQHLODQKLMWRA-VIFPVBQESA-N 0 3 280.759 2.283 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCc3n[nH]cc3C2)c(F)c1 ZINC000344457079 217197191 /nfs/dbraw/zinc/19/71/91/217197191.db2.gz IPINDVGKNISWGZ-ZDUSSCGKSA-N 0 3 270.311 2.068 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CO)C[C@H](O)c2ccccc2)cc1 ZINC000269892597 372590292 /nfs/dbraw/zinc/59/02/92/372590292.db2.gz CVAZTPHBWIKBCP-MSOLQXFVSA-N 0 3 296.370 2.132 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccc(F)c(F)c1N(C)C ZINC000641760564 372697613 /nfs/dbraw/zinc/69/76/13/372697613.db2.gz UIPPPQWMAHIATH-GFCCVEGCSA-N 0 3 284.350 2.448 20 30 CEEDHN CCc1nnc(N2CC[C@H]3CCN(C)[C@H]3C2)c(C#N)c1CC ZINC000364314134 372724797 /nfs/dbraw/zinc/72/47/97/372724797.db2.gz YZTORLIZXIKMRY-WBMJQRKESA-N 0 3 299.422 2.003 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cc(F)cc(Cl)c1 ZINC000641767701 372708449 /nfs/dbraw/zinc/70/84/49/372708449.db2.gz PAEKBJZICAATIQ-ZDUSSCGKSA-N 0 3 255.720 2.343 20 30 CEEDHN CC#CCCN1CCCN(c2ncccc2F)CC1 ZINC000364747890 372793664 /nfs/dbraw/zinc/79/36/64/372793664.db2.gz DDFKXUFFVZQJJF-UHFFFAOYSA-N 0 3 261.344 2.146 20 30 CEEDHN C[C@]1(CO)CCC[C@@H]1NCc1ccc(C#N)cc1F ZINC000344584909 217238906 /nfs/dbraw/zinc/23/89/06/217238906.db2.gz DURXNDOZVIMNJP-LSDHHAIUSA-N 0 3 262.328 2.338 20 30 CEEDHN CS[C@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1N(C)C ZINC000270655496 372886354 /nfs/dbraw/zinc/88/63/54/372886354.db2.gz NAYWBIAGLHEWSI-GJZGRUSLSA-N 0 3 275.421 2.036 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](N2CCCC2=O)C1 ZINC000270826251 372969984 /nfs/dbraw/zinc/96/99/84/372969984.db2.gz CARMOVZHCVULKE-BBRMVZONSA-N 0 3 283.375 2.316 20 30 CEEDHN C#CCCCN1CCN(c2ccccc2C#N)CC1 ZINC000271074930 373105757 /nfs/dbraw/zinc/10/57/57/373105757.db2.gz WTQHJVHULPGZKU-UHFFFAOYSA-N 0 3 253.349 2.094 20 30 CEEDHN C#CCOc1ccccc1CN(CCCOC)CCOC ZINC000271128233 373134732 /nfs/dbraw/zinc/13/47/32/373134732.db2.gz OEOAHEYNMUWBGS-UHFFFAOYSA-N 0 3 291.391 2.184 20 30 CEEDHN CC[C@@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272142287 373326582 /nfs/dbraw/zinc/32/65/82/373326582.db2.gz ACTQNYBBFLQFMQ-DOMZBBRYSA-N 0 3 271.364 2.442 20 30 CEEDHN C=CCN(CCc1ccco1)C(=O)CN(C)C(C)C ZINC000272262688 373395142 /nfs/dbraw/zinc/39/51/42/373395142.db2.gz AWEDHDCOPXYOKE-UHFFFAOYSA-N 0 3 264.369 2.177 20 30 CEEDHN C=CCOCCN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000272506707 373524447 /nfs/dbraw/zinc/52/44/47/373524447.db2.gz FJAZGTPCGMLQCW-LBPRGKRZSA-N 0 3 263.337 2.311 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(C#N)CCC1 ZINC000274151934 373828779 /nfs/dbraw/zinc/82/87/79/373828779.db2.gz DXXAYCJNYGYUSI-GOEBONIOSA-N 0 3 297.402 2.317 20 30 CEEDHN CC#CC[C@@H](CO)Nc1ccnc2ccc(C)cc21 ZINC000645406236 374035396 /nfs/dbraw/zinc/03/53/96/374035396.db2.gz TZSLLTDZVKKDDE-ZDUSSCGKSA-N 0 3 254.333 2.151 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC000274933371 374100903 /nfs/dbraw/zinc/10/09/03/374100903.db2.gz YHYAVLJYFOUFTP-QWHCGFSZSA-N 0 3 277.339 2.355 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000684005242 541906858 /nfs/dbraw/zinc/90/68/58/541906858.db2.gz NUOHXXPEGNPTMB-MRXNPFEDSA-N 0 3 289.423 2.336 20 30 CEEDHN C[C@@H](NC[C@H]1CN(C2CC2)CCO1)c1cccc(C#N)c1 ZINC000373174790 374285527 /nfs/dbraw/zinc/28/55/27/374285527.db2.gz AMJBNJIYTFVUEE-DYVFJYSZSA-N 0 3 285.391 2.072 20 30 CEEDHN C#CCN(C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000276904467 374341476 /nfs/dbraw/zinc/34/14/76/374341476.db2.gz DRKPRJUMLPHXIQ-ZDUSSCGKSA-N 0 3 271.282 2.174 20 30 CEEDHN N#Cc1cnccc1N1CCC[C@H](N2CCCCC2)C1 ZINC000373465938 374357967 /nfs/dbraw/zinc/35/79/67/374357967.db2.gz NFHSITDCRYTSRS-HNNXBMFYSA-N 0 3 270.380 2.408 20 30 CEEDHN N#Cc1ccccc1OCCN1CCCC[C@@H](CO)C1 ZINC000374048206 374474049 /nfs/dbraw/zinc/47/40/49/374474049.db2.gz DKOFZTZWKXFJID-CQSZACIVSA-N 0 3 274.364 2.031 20 30 CEEDHN C#CCC(CC#C)C(=O)NCCCN(C)Cc1ccccc1 ZINC000277405234 374506474 /nfs/dbraw/zinc/50/64/74/374506474.db2.gz LGPQZTGMDCDAOD-UHFFFAOYSA-N 0 3 296.414 2.288 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)sn2)CC1 ZINC000277536629 374557420 /nfs/dbraw/zinc/55/74/20/374557420.db2.gz CHNYORBYDPDTCN-UHFFFAOYSA-N 0 3 279.409 2.222 20 30 CEEDHN C=CCC[C@@H](O)CN1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374914727 374636095 /nfs/dbraw/zinc/63/60/95/374636095.db2.gz SPPYVDNEOOZIQM-CVEARBPZSA-N 0 3 279.355 2.046 20 30 CEEDHN C#CC[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000375162962 374644692 /nfs/dbraw/zinc/64/46/92/374644692.db2.gz XOIJZBBVQOAFRM-HLLBOEOZSA-N 0 3 299.418 2.218 20 30 CEEDHN Cc1ccc(C#N)c(NCCCN2CCCO[C@H](C)C2)n1 ZINC000277681044 374607218 /nfs/dbraw/zinc/60/72/18/374607218.db2.gz QGEIHBDTDHDINZ-CQSZACIVSA-N 0 3 288.395 2.175 20 30 CEEDHN C[C@H]1OCC[C@@]12CN(CC(C)(C)CCC#N)CCO2 ZINC000377274128 374828954 /nfs/dbraw/zinc/82/89/54/374828954.db2.gz WBFWZAFYSNFUAA-UKRRQHHQSA-N 0 3 266.385 2.196 20 30 CEEDHN N#Cc1cnn2cc(CNCCC[C@H]3CCCCO3)cnc12 ZINC000573848163 299461616 /nfs/dbraw/zinc/46/16/16/299461616.db2.gz VKMVFDCADLUHOJ-OAHLLOKOSA-N 0 3 299.378 2.040 20 30 CEEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)Cn1cccn1 ZINC000279395085 374859996 /nfs/dbraw/zinc/85/99/96/374859996.db2.gz UQEQOBSBLMPKQK-QGZVFWFLSA-N 0 3 285.391 2.322 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000279826289 375003336 /nfs/dbraw/zinc/00/33/36/375003336.db2.gz YPSAOMDTCRGNMR-INIZCTEOSA-N 0 3 283.375 2.143 20 30 CEEDHN C[C@H](N(C)Cc1cccc(C#N)c1F)C(C)(C)O ZINC000382859256 375193510 /nfs/dbraw/zinc/19/35/10/375193510.db2.gz MFKHBAJJSLHTBV-JTQLQIEISA-N 0 3 250.317 2.289 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H](CO)C(C)(C)C ZINC000393980102 375326638 /nfs/dbraw/zinc/32/66/38/375326638.db2.gz QNJIYIGOAQYHQT-AWEZNQCLSA-N 0 3 262.353 2.063 20 30 CEEDHN C=CC[C@H](CC)N[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000281377184 375376123 /nfs/dbraw/zinc/37/61/23/375376123.db2.gz YPXKDDFSEMIOGJ-UONOGXRCSA-N 0 3 264.344 2.166 20 30 CEEDHN CCC(CC)(CCO)NCC(=O)Nc1sccc1C#N ZINC000282377456 375469649 /nfs/dbraw/zinc/46/96/49/375469649.db2.gz FSORKWFUSAQXRI-UHFFFAOYSA-N 0 3 295.408 2.089 20 30 CEEDHN C[C@@H]1C[C@@H]1N1CCN(c2ncc(C#N)cc2F)C[C@@H](C)C1 ZINC000413297590 375777182 /nfs/dbraw/zinc/77/71/82/375777182.db2.gz FIHOIDFSQJIBRS-ZOWXZIJZSA-N 0 3 288.370 2.259 20 30 CEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc(C#N)cs1 ZINC000287007243 376128120 /nfs/dbraw/zinc/12/81/20/376128120.db2.gz HRBSFUAXQMZBFC-DGCLKSJQSA-N 0 3 289.404 2.319 20 30 CEEDHN C=CCCOCCNCc1ccccc1C(=O)N(C)C ZINC000417956913 376222042 /nfs/dbraw/zinc/22/20/42/376222042.db2.gz TUZTUXRFOZLPII-UHFFFAOYSA-N 0 3 276.380 2.071 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000418249276 376246003 /nfs/dbraw/zinc/24/60/03/376246003.db2.gz JTFJVDSIMYJBHH-LSDHHAIUSA-N 0 3 287.407 2.335 20 30 CEEDHN Cc1ccc(C#N)c(N[C@@H]2CN(C3CC3)C[C@H]2C)n1 ZINC000287663692 376287998 /nfs/dbraw/zinc/28/79/98/376287998.db2.gz BOXNVLPEZFPXGU-QMTHXVAHSA-N 0 3 256.353 2.156 20 30 CEEDHN N#CCSCCCN1CC[C@@H](OCc2ccncc2)C1 ZINC000287684856 376293241 /nfs/dbraw/zinc/29/32/41/376293241.db2.gz IIWOGPINPQVEOJ-OAHLLOKOSA-N 0 3 291.420 2.319 20 30 CEEDHN C#C[C@@H](NCc1cc2c(c(OC)c1)OCO2)C(C)C ZINC000289614284 376420693 /nfs/dbraw/zinc/42/06/93/376420693.db2.gz VXYGDBNSVBTSOA-GFCCVEGCSA-N 0 3 261.321 2.171 20 30 CEEDHN Cc1n[nH]cc1CN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000289740773 376475926 /nfs/dbraw/zinc/47/59/26/376475926.db2.gz INFXOJNLTVXHHS-UHFFFAOYSA-N 0 3 297.406 2.154 20 30 CEEDHN C[C@H]1[C@@H](C)N([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000419375454 376448234 /nfs/dbraw/zinc/44/82/34/376448234.db2.gz RNCFAZTYMBYJLH-BLTAXRJOSA-N 0 3 271.364 2.061 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCCC[C@H]1CCO ZINC000305737937 376464671 /nfs/dbraw/zinc/46/46/71/376464671.db2.gz QLWCONHKZTVMQV-HNNXBMFYSA-N 0 3 274.364 2.304 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](C)[C@H]1CO ZINC000305744105 376468596 /nfs/dbraw/zinc/46/85/96/376468596.db2.gz UHXCYJAKLOQTAP-IUODEOHRSA-N 0 3 274.364 2.160 20 30 CEEDHN C[C@H](NCCn1cnc(C#N)n1)c1ccc(Cl)c(F)c1 ZINC000556920082 376517083 /nfs/dbraw/zinc/51/70/83/376517083.db2.gz JWZACYCKHKUNQW-VIFPVBQESA-N 0 3 293.733 2.293 20 30 CEEDHN Cc1cnn([C@@H]2CCN(CCOc3ccccc3C#N)C2)c1 ZINC000289768759 376491492 /nfs/dbraw/zinc/49/14/92/376491492.db2.gz GHQJYZCLMNVERM-MRXNPFEDSA-N 0 3 296.374 2.389 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CC(=O)NCc1ccc(C#N)cc1 ZINC000264548046 190117819 /nfs/dbraw/zinc/11/78/19/190117819.db2.gz KIFDZEMPWDGJDZ-ZIAGYGMSSA-N 0 3 285.391 2.437 20 30 CEEDHN COc1cc(CN2CC[C@H](CO)C[C@@H]2C)ccc1C#N ZINC000290185624 376676707 /nfs/dbraw/zinc/67/67/07/376676707.db2.gz ODMBVVJYMHYGMD-JSGCOSHPSA-N 0 3 274.364 2.160 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@@H]2CC(=O)OC)cc1 ZINC000290188064 376679579 /nfs/dbraw/zinc/67/95/79/376679579.db2.gz ZTKLZIJIRFQRTC-OAHLLOKOSA-N 0 3 257.333 2.195 20 30 CEEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H](O)C(C)(C)C ZINC000290327485 376733493 /nfs/dbraw/zinc/73/34/93/376733493.db2.gz OQVJBFZEOXICKS-MRXNPFEDSA-N 0 3 290.407 2.414 20 30 CEEDHN CC#CCN1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420923045 376739126 /nfs/dbraw/zinc/73/91/26/376739126.db2.gz HARCGIODIGKNQK-QWHCGFSZSA-N 0 3 251.370 2.452 20 30 CEEDHN COc1ccccc1OCCN[C@H]1CC[C@H](C#N)C1 ZINC000562462613 376899606 /nfs/dbraw/zinc/89/96/06/376899606.db2.gz ZACNBSGLWAJNMO-STQMWFEESA-N 0 3 260.337 2.356 20 30 CEEDHN CCn1cnnc1[C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000328720265 376885369 /nfs/dbraw/zinc/88/53/69/376885369.db2.gz GQRHVXVNQNTZRJ-BFHYXJOUSA-N 0 3 273.384 2.170 20 30 CEEDHN Cc1nc(C[C@@H]2CCCN([C@@H]3CC[C@H](C#N)C3)C2)no1 ZINC000328826292 376905692 /nfs/dbraw/zinc/90/56/92/376905692.db2.gz JFNWPCMJNKSGEF-MELADBBJSA-N 0 3 274.368 2.325 20 30 CEEDHN CN(C[C@H](O)COc1ccc(C#N)cc1Cl)C1CC1 ZINC000290759980 376910699 /nfs/dbraw/zinc/91/06/99/376910699.db2.gz JWWQRRJTACGLCH-LBPRGKRZSA-N 0 3 280.755 2.046 20 30 CEEDHN CCN(CCN1CCOCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000264746419 190132900 /nfs/dbraw/zinc/13/29/00/190132900.db2.gz VJRVWOXXXSZQLW-OAHLLOKOSA-N 0 3 287.407 2.273 20 30 CEEDHN C=C[C@H](CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000291474827 377197191 /nfs/dbraw/zinc/19/71/91/377197191.db2.gz FHPCIWKVBBBYTO-LLVKDONJSA-N 0 3 286.169 2.100 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(O)c(CC)c2)CC1 ZINC000291582935 377201281 /nfs/dbraw/zinc/20/12/81/377201281.db2.gz VBSUXKKJOJTTOX-UHFFFAOYSA-N 0 3 288.391 2.335 20 30 CEEDHN Cn1cc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1C#N ZINC000292881507 377331407 /nfs/dbraw/zinc/33/14/07/377331407.db2.gz XRFBBXJJVBYLAD-OLZOCXBDSA-N 0 3 265.307 2.374 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000424710439 377286265 /nfs/dbraw/zinc/28/62/65/377286265.db2.gz HYYAJBPKJHHXOB-VXGBXAGGSA-N 0 3 250.386 2.330 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(Cl)cc1 ZINC000264870436 190140235 /nfs/dbraw/zinc/14/02/35/190140235.db2.gz OPLNNHKWCGALSM-NSHDSACASA-N 0 3 264.756 2.130 20 30 CEEDHN C[C@H]1CC(NCc2nc(C#N)cs2)C[C@H](C)O1 ZINC000564410544 377386368 /nfs/dbraw/zinc/38/63/68/377386368.db2.gz RHKXHGIEUJNTDH-IUCAKERBSA-N 0 3 251.355 2.060 20 30 CEEDHN C[C@H]1CCCN(CCOc2cccc(C#N)c2)[C@H]1CO ZINC000331271421 377353739 /nfs/dbraw/zinc/35/37/39/377353739.db2.gz NEKHVBUPFOZRMP-BBRMVZONSA-N 0 3 274.364 2.030 20 30 CEEDHN CN1CCC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000264966192 190148635 /nfs/dbraw/zinc/14/86/35/190148635.db2.gz CCHMKELCPZIREA-INIZCTEOSA-N 0 3 283.375 2.143 20 30 CEEDHN COc1cc(CNC[C@@]2(O)CCC[C@H]2C)ccc1C#N ZINC000293039022 377403347 /nfs/dbraw/zinc/40/33/47/377403347.db2.gz QNCUQHXIVJEWNQ-WBMJQRKESA-N 0 3 274.364 2.208 20 30 CEEDHN C=CCOc1ccc(CN(CCOC)[C@@H]2CCOC2)cc1 ZINC000426497801 377411998 /nfs/dbraw/zinc/41/19/98/377411998.db2.gz FPDINKIVGIBEAV-MRXNPFEDSA-N 0 3 291.391 2.489 20 30 CEEDHN CC[C@H](C(=O)NCc1cccc(C#N)c1)N(CC)CC ZINC000265637396 190195689 /nfs/dbraw/zinc/19/56/89/190195689.db2.gz UVZYBAIVTVKNDT-OAHLLOKOSA-N 0 3 273.380 2.295 20 30 CEEDHN N#Cc1csc(CN[C@H](CO)Cc2ccccc2)c1 ZINC000093492671 249310346 /nfs/dbraw/zinc/31/03/46/249310346.db2.gz JDUBSAMGESBPHO-AWEZNQCLSA-N 0 3 272.373 2.313 20 30 CEEDHN Cc1cc(CNCC2([S@](C)=O)CCC2)ccc1C#N ZINC000332438504 377602643 /nfs/dbraw/zinc/60/26/43/377602643.db2.gz DCLNDZSPAVAKLF-IBGZPJMESA-N 0 3 276.405 2.258 20 30 CEEDHN Cn1cc(CNCCOCC2CCCC2)cc1C#N ZINC000313282125 249391532 /nfs/dbraw/zinc/39/15/32/249391532.db2.gz MGJCLLLXRRADQF-UHFFFAOYSA-N 0 3 261.369 2.193 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000432095889 377714408 /nfs/dbraw/zinc/71/44/08/377714408.db2.gz IOWOLIIPCWLWIF-GFCCVEGCSA-N 0 3 265.401 2.125 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccncc1 ZINC000433119078 377779161 /nfs/dbraw/zinc/77/91/61/377779161.db2.gz SZTBPPCUFXGQFN-INIZCTEOSA-N 0 3 279.343 2.470 20 30 CEEDHN C=CCC(C)(C)CNC(=O)NCC1(N(C)C)CCC1 ZINC000432350819 377750567 /nfs/dbraw/zinc/75/05/67/377750567.db2.gz FRQOVDYHIJRQTR-UHFFFAOYSA-N 0 3 267.417 2.372 20 30 CEEDHN N#CCCNC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000566792845 377772858 /nfs/dbraw/zinc/77/28/58/377772858.db2.gz SQEWRTOONXCRFR-UHFFFAOYSA-N 0 3 275.318 2.295 20 30 CEEDHN CC[C@H](C#N)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000433345545 377789767 /nfs/dbraw/zinc/78/97/67/377789767.db2.gz YBYUTBFIQMLNNW-ZIAGYGMSSA-N 0 3 259.353 2.098 20 30 CEEDHN C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)C[C@H](C)O ZINC000433478955 377791865 /nfs/dbraw/zinc/79/18/65/377791865.db2.gz UMRRIPIZJXFPTC-YCPHGPKFSA-N 0 3 288.391 2.282 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccc[nH]1 ZINC000433366172 377792528 /nfs/dbraw/zinc/79/25/28/377792528.db2.gz QZYUPABRWPFQQT-AWEZNQCLSA-N 0 3 267.332 2.403 20 30 CEEDHN Cc1n[nH]c([C@H]2CCN(Cc3ccc(C#N)cc3F)C2)n1 ZINC000567027847 377794690 /nfs/dbraw/zinc/79/46/90/377794690.db2.gz TUDLHAOWLRNRGD-ZDUSSCGKSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1nc([C@H]2CCN(Cc3ccc(C#N)cc3F)C2)n[nH]1 ZINC000567027847 377794693 /nfs/dbraw/zinc/79/46/93/377794693.db2.gz TUDLHAOWLRNRGD-ZDUSSCGKSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1nnc([C@H]2CCN(Cc3ccc(C#N)cc3F)C2)[nH]1 ZINC000567027847 377794696 /nfs/dbraw/zinc/79/46/96/377794696.db2.gz TUDLHAOWLRNRGD-ZDUSSCGKSA-N 0 3 285.326 2.113 20 30 CEEDHN C=CCN(C[C@H]1CCS(=O)(=O)C1)CC1CCCCC1 ZINC000434542318 377797455 /nfs/dbraw/zinc/79/74/55/377797455.db2.gz KJNNNVKBINQVRJ-OAHLLOKOSA-N 0 3 285.453 2.489 20 30 CEEDHN COC[C@@H](NCc1ccc(CC#N)cc1)[C@H]1CCCO1 ZINC000434789646 377799791 /nfs/dbraw/zinc/79/97/91/377799791.db2.gz YZPPFAVIKQJIJT-HZPDHXFCSA-N 0 3 274.364 2.036 20 30 CEEDHN COC[C@]1(C)CCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000294185927 377932317 /nfs/dbraw/zinc/93/23/17/377932317.db2.gz KLPSBNDAZWIAGW-MRXNPFEDSA-N 0 3 274.364 2.425 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000438461109 377900989 /nfs/dbraw/zinc/90/09/89/377900989.db2.gz PEMMDCFPDRKFBT-ZBFHGGJFSA-N 0 3 282.428 2.204 20 30 CEEDHN COc1cc(NCCN[C@@H]2CC[C@H](C#N)C2)cc(OC)c1 ZINC000442841097 378006248 /nfs/dbraw/zinc/00/62/48/378006248.db2.gz FMXIXOLQULTNKN-QWHCGFSZSA-N 0 3 289.379 2.398 20 30 CEEDHN CCNC(=O)c1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442786820 377994280 /nfs/dbraw/zinc/99/42/80/377994280.db2.gz UQYPIVYDABRGFP-DOMZBBRYSA-N 0 3 271.364 2.218 20 30 CEEDHN C[C@@H](NCC1([S@@](C)=O)CC1)c1ccc(C#N)cc1F ZINC000442802518 377999306 /nfs/dbraw/zinc/99/93/06/377999306.db2.gz PWKFIZNYQGCKMQ-GIGQVBGESA-N 0 3 280.368 2.259 20 30 CEEDHN NC(=O)[C@H]1CCCC[C@@H]1NCC#Cc1ccccc1Cl ZINC000445780336 378082532 /nfs/dbraw/zinc/08/25/32/378082532.db2.gz HHPWTLDDTVEFTR-ZFWWWQNUSA-N 0 3 290.794 2.325 20 30 CEEDHN CN(CCCO)Cc1cccc(OCCCC#N)c1 ZINC000442964304 378023204 /nfs/dbraw/zinc/02/32/04/378023204.db2.gz OGODICNYRYXAFX-UHFFFAOYSA-N 0 3 262.353 2.183 20 30 CEEDHN C=CCCCN[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000447797853 378137188 /nfs/dbraw/zinc/13/71/88/378137188.db2.gz OJBLYIUXKJLYMR-ZDUSSCGKSA-N 0 3 266.772 2.292 20 30 CEEDHN COC(=O)C(C)(C)CCNCc1ccc(C#N)c(F)c1 ZINC000449738091 378224600 /nfs/dbraw/zinc/22/46/00/378224600.db2.gz YHJKZXMVMBMACT-UHFFFAOYSA-N 0 3 278.327 2.376 20 30 CEEDHN CN(Cc1ncc[nH]1)C(=O)C(C#N)CCc1ccccc1 ZINC000448935823 378192108 /nfs/dbraw/zinc/19/21/08/378192108.db2.gz JYHVDUHIGHSLQX-CQSZACIVSA-N 0 3 282.347 2.141 20 30 CEEDHN C=CCOCCCC(=O)Nc1ccc2c(c1)CNC2 ZINC000449664793 378219108 /nfs/dbraw/zinc/21/91/08/378219108.db2.gz BTNPRCSPFFNJEI-UHFFFAOYSA-N 0 3 260.337 2.211 20 30 CEEDHN Cc1cc(C[C@H](C)NC(=O)C(C)C#N)n(-c2ccccc2)n1 ZINC000448449863 378171675 /nfs/dbraw/zinc/17/16/75/378171675.db2.gz SHUAWZWHTHZJRR-STQMWFEESA-N 0 3 296.374 2.388 20 30 CEEDHN C=C(CC)CNCc1ccc(N(C)CCOC)nc1 ZINC000449735351 378225719 /nfs/dbraw/zinc/22/57/19/378225719.db2.gz QLIUATLTEQSPRF-UHFFFAOYSA-N 0 3 263.385 2.220 20 30 CEEDHN COC[C@@H]1CCCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000449773891 378229627 /nfs/dbraw/zinc/22/96/27/378229627.db2.gz JGTKNUKRWICVKI-CYBMUJFWSA-N 0 3 261.369 2.145 20 30 CEEDHN C=C(C)Cn1c(C)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000296140383 378429579 /nfs/dbraw/zinc/42/95/79/378429579.db2.gz XSHMKYMQZCZQOP-ZDUSSCGKSA-N 0 3 277.416 2.083 20 30 CEEDHN C[C@H](CO)N1CCCN(c2cccc(Cl)c2C#N)CC1 ZINC000450472720 378435853 /nfs/dbraw/zinc/43/58/53/378435853.db2.gz FXFIJQGFDCNSBF-GFCCVEGCSA-N 0 3 293.798 2.105 20 30 CEEDHN C#Cc1ccc(CNC(=O)NC2CCN(CC=C)CC2)cc1 ZINC000296314163 378487509 /nfs/dbraw/zinc/48/75/09/378487509.db2.gz GKEQCEUYAMMHDF-UHFFFAOYSA-N 0 3 297.402 2.118 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000296324794 378491305 /nfs/dbraw/zinc/49/13/05/378491305.db2.gz QKRSPMAMSRJMSC-BMFZPTHFSA-N 0 3 286.375 2.470 20 30 CEEDHN C#CCNC(=O)CCN1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000296454625 378537816 /nfs/dbraw/zinc/53/78/16/378537816.db2.gz ZISLMMALIHCOAL-KRWDZBQOSA-N 0 3 282.387 2.353 20 30 CEEDHN C=CCOc1cccc(NC(=O)[C@@H](C)NC2CC2)c1 ZINC000296545721 378569521 /nfs/dbraw/zinc/56/95/21/378569521.db2.gz UBTISGLJTLBYGH-LLVKDONJSA-N 0 3 260.337 2.330 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)CCF)C(C)C ZINC000297185424 378668656 /nfs/dbraw/zinc/66/86/56/378668656.db2.gz UVCIBTFFLPXTSI-AWEZNQCLSA-N 0 3 285.407 2.296 20 30 CEEDHN CC(C)(C)[C@H](CO)NCc1ccc(F)c(C#N)c1 ZINC000278674660 194096025 /nfs/dbraw/zinc/09/60/25/194096025.db2.gz ILYRVIVLZBAIKO-ZDUSSCGKSA-N 0 3 250.317 2.194 20 30 CEEDHN CC(C)(C)[C@H](CO)NCc1cc(C#N)ccc1F ZINC000278711308 194117090 /nfs/dbraw/zinc/11/70/90/194117090.db2.gz KEOSSTCZAKZLRG-ZDUSSCGKSA-N 0 3 250.317 2.194 20 30 CEEDHN Cc1ccc([C@@H](CNc2nccnc2C#N)N(C)C)cc1 ZINC000301155986 379206061 /nfs/dbraw/zinc/20/60/61/379206061.db2.gz FYBGNZWTEFSHMM-OAHLLOKOSA-N 0 3 281.363 2.372 20 30 CEEDHN Cc1nnc(N[C@@H]2CCN(C3CCCC3)C2)c(C#N)c1C ZINC000301163241 379208174 /nfs/dbraw/zinc/20/81/74/379208174.db2.gz BGFWSLGKIDPHBO-CYBMUJFWSA-N 0 3 285.395 2.394 20 30 CEEDHN CC(=O)NCC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000330834028 335043077 /nfs/dbraw/zinc/04/30/77/335043077.db2.gz JXLLWOVHGXBJTL-UHFFFAOYSA-N 0 3 285.391 2.101 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@H](Oc2ncccc2F)C1 ZINC000278869974 194191629 /nfs/dbraw/zinc/19/16/29/194191629.db2.gz OCPWRZMUTCFZLX-KBPBESRZSA-N 0 3 294.370 2.391 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(Cc2ccccc2)CC1 ZINC000305078894 379626751 /nfs/dbraw/zinc/62/67/51/379626751.db2.gz LWYSWULCHAZDQT-KRWDZBQOSA-N 0 3 274.408 2.131 20 30 CEEDHN N#Cc1ccc(CNC[C@]2(O)CCc3ccccc32)o1 ZINC000305227477 379691722 /nfs/dbraw/zinc/69/17/22/379691722.db2.gz PHZATYOIIXWQAI-MRXNPFEDSA-N 0 3 268.316 2.075 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457101040 379667636 /nfs/dbraw/zinc/66/76/36/379667636.db2.gz XPOURZAGIMEFRD-ZBFHGGJFSA-N 0 3 282.428 2.156 20 30 CEEDHN C[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)[C@H]2CCCC[C@@H]12 ZINC000527377092 379755727 /nfs/dbraw/zinc/75/57/27/379755727.db2.gz IDSPXOHLOONXKM-ILXRZTDVSA-N 0 3 289.423 2.449 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N(C)C[C@H]1CC=CCC1 ZINC000527299449 379744011 /nfs/dbraw/zinc/74/40/11/379744011.db2.gz DFPBQBYTQOOUSX-KGLIPLIRSA-N 0 3 275.396 2.225 20 30 CEEDHN CO[C@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@@H]1OC ZINC000488020503 380090114 /nfs/dbraw/zinc/09/01/14/380090114.db2.gz BOOYOGSKKKRMJT-HOTGVXAUSA-N 0 3 288.391 2.333 20 30 CEEDHN Cc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1[N+](=O)[O-] ZINC000487974469 380091026 /nfs/dbraw/zinc/09/10/26/380091026.db2.gz ANBGYHUMVHZMNO-VHSXEESVSA-N 0 3 261.281 2.240 20 30 CEEDHN C=CCN(CCOC)C(=O)c1ccccc1CN(C)C ZINC000487704125 380088071 /nfs/dbraw/zinc/08/80/71/380088071.db2.gz VGMUJIXGZHUHCS-UHFFFAOYSA-N 0 3 276.380 2.023 20 30 CEEDHN C[C@H]1C[C@@H]1N1CCN(c2ncccc2C#N)C[C@@H](C)C1 ZINC000488719418 380124135 /nfs/dbraw/zinc/12/41/35/380124135.db2.gz YCLVYCXEXCBQNH-YDHLFZDLSA-N 0 3 270.380 2.120 20 30 CEEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1cnc2ccc(C#N)cn12 ZINC000529668188 380183278 /nfs/dbraw/zinc/18/32/78/380183278.db2.gz DSWIRKUBKDXBOF-JBBSTSQOSA-N 0 3 284.363 2.107 20 30 CEEDHN C=CCc1cc(CN2CCC[C@@]2(C)CO)cc(OC)c1O ZINC000530547771 380201316 /nfs/dbraw/zinc/20/13/16/380201316.db2.gz CFONSHUWRWHZJV-KRWDZBQOSA-N 0 3 291.391 2.476 20 30 CEEDHN CC(C#N)C(=O)NCc1cc(Br)ccc1F ZINC000334224045 380256327 /nfs/dbraw/zinc/25/63/27/380256327.db2.gz ADLNJEKGROIFFT-SSDOTTSWSA-N 0 3 285.116 2.364 20 30 CEEDHN CC1CC(C#N)(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000536020581 380222033 /nfs/dbraw/zinc/22/20/33/380222033.db2.gz JMLDDYGJUMZACK-BFHRDPOASA-N 0 3 299.418 2.215 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(C)c(OCC)c1 ZINC000491303822 380301671 /nfs/dbraw/zinc/30/16/71/380301671.db2.gz CLGPGWNILRAUCD-UHFFFAOYSA-N 0 3 288.391 2.079 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)N1CCC(CC#N)CC1 ZINC000543774740 380345079 /nfs/dbraw/zinc/34/50/79/380345079.db2.gz MFDJSRICNZHIOY-HNNXBMFYSA-N 0 3 292.427 2.196 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000547979447 380481383 /nfs/dbraw/zinc/48/13/83/380481383.db2.gz JFRLVDSZRRSYIO-UHFFFAOYSA-N 0 3 291.782 2.378 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCSCC[C@@H]1C ZINC000279265273 194357538 /nfs/dbraw/zinc/35/75/38/194357538.db2.gz MSCWCUCSUDHWDZ-ZDUSSCGKSA-N 0 3 268.426 2.014 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000334770607 207047727 /nfs/dbraw/zinc/04/77/27/207047727.db2.gz ISABHXYWLHRDCH-LBPRGKRZSA-N 0 3 275.352 2.014 20 30 CEEDHN N#Cc1ccc(F)c(CN[C@H]2CCC[C@H]2CCO)c1 ZINC000279286059 194368765 /nfs/dbraw/zinc/36/87/65/194368765.db2.gz OZCQTDFXUWMZEJ-WFASDCNBSA-N 0 3 262.328 2.338 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)/C=C/CN(C)C ZINC000493493684 381019752 /nfs/dbraw/zinc/01/97/52/381019752.db2.gz ZWYUDGNOAOVLBU-YSKGHYERSA-N 0 3 271.364 2.195 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccnc(C)c2)CC1 ZINC000279290970 194370685 /nfs/dbraw/zinc/37/06/85/194370685.db2.gz UKHJVYWRKUYJHX-UHFFFAOYSA-N 0 3 273.380 2.160 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cscc2C#N)C1 ZINC000334774575 207053629 /nfs/dbraw/zinc/05/36/29/207053629.db2.gz VZKZTYQECGKQQX-GFCCVEGCSA-N 0 3 277.393 2.174 20 30 CEEDHN C#CCCN(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494009260 381151061 /nfs/dbraw/zinc/15/10/61/381151061.db2.gz OUPQASQDAZOACT-AWEZNQCLSA-N 0 3 278.396 2.484 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000494009968 381153434 /nfs/dbraw/zinc/15/34/34/381153434.db2.gz SKAIZASQNNECNH-QWHCGFSZSA-N 0 3 266.385 2.245 20 30 CEEDHN C[C@H](N[C@]1(C)CCO[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000494255576 381156630 /nfs/dbraw/zinc/15/66/30/381156630.db2.gz BPKCTWGHEDZSPT-HWWQOWPSSA-N 0 3 287.363 2.042 20 30 CEEDHN C=CCOCCN1CCCC[C@H]1COC(=O)NC(C)C ZINC000495662277 381182056 /nfs/dbraw/zinc/18/20/56/381182056.db2.gz RDRKZFRBXCGWLM-AWEZNQCLSA-N 0 3 284.400 2.178 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000496327104 381208895 /nfs/dbraw/zinc/20/88/95/381208895.db2.gz NORPCQYKFFDPFH-VXGBXAGGSA-N 0 3 254.374 2.408 20 30 CEEDHN CC(C)(C)OC(=O)N[C@H]1CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000496316359 381209103 /nfs/dbraw/zinc/20/91/03/381209103.db2.gz ZJVXNCHTQBMPIR-AGIUHOORSA-N 0 3 279.384 2.278 20 30 CEEDHN C[C@H]1C[C@H](NCCC#N)CCN1C(=O)OC(C)(C)C ZINC000496964928 381235673 /nfs/dbraw/zinc/23/56/73/381235673.db2.gz UXYBXHJLOJJHHE-NWDGAFQWSA-N 0 3 267.373 2.278 20 30 CEEDHN C[C@]1(C(N)=O)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000334877419 207230468 /nfs/dbraw/zinc/23/04/68/207230468.db2.gz MTWNZYFPAMFKNS-AWEZNQCLSA-N 0 3 261.300 2.445 20 30 CEEDHN CC(C)[C@@H]1CN(Cc2ccc(C#N)s2)CCN1C ZINC000335292354 208118813 /nfs/dbraw/zinc/11/88/13/208118813.db2.gz NJGOHOUHPDZBDP-AWEZNQCLSA-N 0 3 263.410 2.392 20 30 CEEDHN C=CCCCCN1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000574841552 335051875 /nfs/dbraw/zinc/05/18/75/335051875.db2.gz BNPACYJMMNBHPS-OAHLLOKOSA-N 0 3 279.428 2.421 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000336583074 533113443 /nfs/dbraw/zinc/11/34/43/533113443.db2.gz WHRXMDYWHUGJGV-RYUDHWBXSA-N 0 3 250.342 2.144 20 30 CEEDHN COC[C@H]1CCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000152605650 533136156 /nfs/dbraw/zinc/13/61/56/533136156.db2.gz OCXFTQOPQARBRX-AWEZNQCLSA-N 0 3 274.364 2.425 20 30 CEEDHN C[C@H](NCc1cc(C#N)n(C)c1)[C@H](O)c1ccccc1 ZINC000288656544 197138197 /nfs/dbraw/zinc/13/81/97/197138197.db2.gz VLMWVPFMWAGQHP-LRDDRELGSA-N 0 3 269.348 2.108 20 30 CEEDHN C[C@H]1OCC[C@H]1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000329238133 227372299 /nfs/dbraw/zinc/37/22/99/227372299.db2.gz PLBUFVHNQDXABO-ZIAGYGMSSA-N 0 3 296.411 2.155 20 30 CEEDHN C[C@H](SCCN(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000094822706 184874666 /nfs/dbraw/zinc/87/46/66/184874666.db2.gz UGPUPIDSVIQUOP-NSHDSACASA-N 0 3 277.393 2.180 20 30 CEEDHN CC[C@@H]1CN(CCOc2cccc(C#N)c2)CCCO1 ZINC000281538367 195280081 /nfs/dbraw/zinc/28/00/81/195280081.db2.gz WPFIJTCBBUTAMV-OAHLLOKOSA-N 0 3 274.364 2.438 20 30 CEEDHN COc1ccc(CN2CCC[C@H](CO)[C@@H]2C)cc1C#N ZINC000412099014 533558807 /nfs/dbraw/zinc/55/88/07/533558807.db2.gz VYYPDPAOWDWYQT-GXTWGEPZSA-N 0 3 274.364 2.160 20 30 CEEDHN C=CCOc1ccc(CNC[C@@H](C)OC)cc1OC ZINC000191152037 130191070 /nfs/dbraw/zinc/19/10/70/130191070.db2.gz OCCCZUGICWGAOO-GFCCVEGCSA-N 0 3 265.353 2.385 20 30 CEEDHN CCO[C@@H]1C[C@H](NCc2cc(C#N)n(C)c2)C12CCC2 ZINC000191197446 130200242 /nfs/dbraw/zinc/20/02/42/130200242.db2.gz YVXXQZWFZNPJHZ-LSDHHAIUSA-N 0 3 273.380 2.334 20 30 CEEDHN CCO[C@H]1C[C@@H](NCc2cc(C#N)n(C)c2)C12CCC2 ZINC000191198565 130200702 /nfs/dbraw/zinc/20/07/02/130200702.db2.gz YVXXQZWFZNPJHZ-CABCVRRESA-N 0 3 273.380 2.334 20 30 CEEDHN C[C@H]1CN2CCC[C@@H]2CN1c1nccc(C#N)c1Cl ZINC000235670319 394483570 /nfs/dbraw/zinc/48/35/70/394483570.db2.gz HFQGXXBKKUYCCY-CMPLNLGQSA-N 0 3 276.771 2.280 20 30 CEEDHN C[C@H](NCCn1ccnc1)c1ccc(OCC#N)cc1 ZINC000041119553 394500151 /nfs/dbraw/zinc/50/01/51/394500151.db2.gz COEKOVREOKWZMJ-ZDUSSCGKSA-N 0 3 270.336 2.136 20 30 CEEDHN CC(C)C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCN2C)CCO1 ZINC000329449279 394564114 /nfs/dbraw/zinc/56/41/14/394564114.db2.gz LHDSUDWGXVSHFS-RBSFLKMASA-N 0 3 297.443 2.178 20 30 CEEDHN Cn1nccc1CC(=O)NCCN1CCCC(C)(C)C1 ZINC000329900786 394593089 /nfs/dbraw/zinc/59/30/89/394593089.db2.gz ODNNSXSZFJBKLC-UHFFFAOYSA-N 0 3 278.400 2.041 20 30 CEEDHN CC(C)(C)[NH+]1CCC(NC(=O)c2csc(=O)[n-]2)CC1 ZINC000329896296 394593397 /nfs/dbraw/zinc/59/33/97/394593397.db2.gz CJMZFHBEKMBUFE-UHFFFAOYSA-N 0 3 283.397 2.416 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)c2cnc3nccnc3c2)C1 ZINC000329529165 394570464 /nfs/dbraw/zinc/57/04/64/394570464.db2.gz SZXWBZTUQMOVLZ-GFCCVEGCSA-N 0 3 299.378 2.061 20 30 CEEDHN C=CCCC1(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000356369971 394575814 /nfs/dbraw/zinc/57/58/14/394575814.db2.gz ZBLZKMLTYCRJIH-STQMWFEESA-N 0 3 262.397 2.474 20 30 CEEDHN C[C@H](NC(=O)CSc1nncs1)C1=CCN(C)CC1 ZINC000329707346 394580823 /nfs/dbraw/zinc/58/08/23/394580823.db2.gz LOBASPHXMDJVFU-VIFPVBQESA-N 0 3 298.437 2.237 20 30 CEEDHN Cc1cc(C(=O)N[C@H]2CCN(C3CCCC3)C2)cnn1 ZINC000329852450 394590437 /nfs/dbraw/zinc/59/04/37/394590437.db2.gz USJPSIDQILMMMM-ZDUSSCGKSA-N 0 3 274.368 2.107 20 30 CEEDHN N#Cc1cccc(CN2CCC(CN3CCOCC3)CC2)c1 ZINC000051957663 394556943 /nfs/dbraw/zinc/55/69/43/394556943.db2.gz FBXKDTBUQKVMRH-UHFFFAOYSA-N 0 3 299.418 2.102 20 30 CEEDHN C=C(CNC(=O)N1CCN2CCC1CC2)c1ccccc1 ZINC000334234421 394666710 /nfs/dbraw/zinc/66/67/10/394666710.db2.gz ZOYRLXUFIOKLAN-UHFFFAOYSA-N 0 3 285.391 2.189 20 30 CEEDHN CNC(=O)c1cccc(CN2C[C@@H](C)[C@H](C(N)=O)C2)c1 ZINC000330549634 394618538 /nfs/dbraw/zinc/61/85/38/394618538.db2.gz DVGPAUXMGJDBOJ-ZWNOBZJWSA-N 0 3 275.352 2.224 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@H]2CCCO2)CC1 ZINC000330655521 394624756 /nfs/dbraw/zinc/62/47/56/394624756.db2.gz NYRVXCFBPPRDFV-UKRRQHHQSA-N 0 3 295.427 2.098 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N(CC(=O)NC2(C#N)CCC2)C1 ZINC000334258457 394668882 /nfs/dbraw/zinc/66/88/82/394668882.db2.gz OYDUAXHKDFFQSI-CHWSQXEVSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(CC#N)cc1 ZINC000270337187 394730947 /nfs/dbraw/zinc/73/09/47/394730947.db2.gz PDGIIRHAGZONDW-CJNGLKHVSA-N 0 3 285.391 2.165 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000335118524 394739585 /nfs/dbraw/zinc/73/95/85/394739585.db2.gz ZFOJSPPKMXGNAY-QWHCGFSZSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCOc1ccccc1CNCCCC(=O)NC1CC1 ZINC000112346226 394743866 /nfs/dbraw/zinc/74/38/66/394743866.db2.gz QDPBKLBJQALAPD-UHFFFAOYSA-N 0 3 288.391 2.400 20 30 CEEDHN C[C@H]1CN(C(=O)CC(C)(C)C#N)CCN(C2CCC2)C1 ZINC000334364568 394677993 /nfs/dbraw/zinc/67/79/93/394677993.db2.gz GUVIZSJIQHOHAF-CYBMUJFWSA-N 0 3 277.412 2.259 20 30 CEEDHN COc1ccc(CN2CCN(C)[C@@H](C)[C@@H]2C)cc1C#N ZINC000357001419 394678192 /nfs/dbraw/zinc/67/81/92/394678192.db2.gz MIUVKQGJGFTWRS-STQMWFEESA-N 0 3 273.380 2.091 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)NCc1ccc(C#N)s1 ZINC000422219656 394695537 /nfs/dbraw/zinc/69/55/37/394695537.db2.gz OXOMNDFOCYUFQW-UHFFFAOYSA-N 0 3 294.424 2.101 20 30 CEEDHN CN(C)C1(CNC(=O)C2(C#N)CCCCC2)CCC1 ZINC000097932523 394700378 /nfs/dbraw/zinc/70/03/78/394700378.db2.gz WSGIRUIYZRNZLA-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN CC(C)(C#N)CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000359641513 394767728 /nfs/dbraw/zinc/76/77/28/394767728.db2.gz WUUYZKRKVKLQKC-ZDUSSCGKSA-N 0 3 263.385 2.059 20 30 CEEDHN CC(C)(C#N)CCN1CCCC[C@@H]1CN1CCOCC1 ZINC000119650427 394770703 /nfs/dbraw/zinc/77/07/03/394770703.db2.gz FDWZOOSHVGIUIF-OAHLLOKOSA-N 0 3 279.428 2.113 20 30 CEEDHN C=CCCCN(C)CC(=O)NCCOc1ccc(F)cc1 ZINC000121074310 394791733 /nfs/dbraw/zinc/79/17/33/394791733.db2.gz GVAUINHESAYWEK-UHFFFAOYSA-N 0 3 294.370 2.219 20 30 CEEDHN C#CCN(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000360174670 394791937 /nfs/dbraw/zinc/79/19/37/394791937.db2.gz YCPQCQGHLHWQFQ-UHFFFAOYSA-N 0 3 278.396 2.484 20 30 CEEDHN CC(C)(CCC#N)CNC(=O)C1CCN(C2CC2)CC1 ZINC000360411323 394800295 /nfs/dbraw/zinc/80/02/95/394800295.db2.gz OPKPOJFARJPZHU-UHFFFAOYSA-N 0 3 277.412 2.307 20 30 CEEDHN CCOC(=O)C[C@](C)(NCC1(C#N)CC1)C(C)C ZINC000360684626 394805693 /nfs/dbraw/zinc/80/56/93/394805693.db2.gz GPQUYSBQVVQEFP-ZDUSSCGKSA-N 0 3 252.358 2.248 20 30 CEEDHN C#CCCN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000360870071 394809073 /nfs/dbraw/zinc/80/90/73/394809073.db2.gz GPULBSCMWKFRQV-UHFFFAOYSA-N 0 3 282.347 2.334 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)N2CCC(C)(C#N)CC2)C1 ZINC000335974715 394815644 /nfs/dbraw/zinc/81/56/44/394815644.db2.gz YPBXDMPEQZFCPC-CQSZACIVSA-N 0 3 292.427 2.054 20 30 CEEDHN C=CCCCN1CCN(c2nc(C)cc(C)n2)CC1 ZINC000361132734 394818125 /nfs/dbraw/zinc/81/81/25/394818125.db2.gz RSSPKBBTCACRKT-UHFFFAOYSA-N 0 3 260.385 2.182 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](C)[C@@H](C)C1 ZINC000123025480 394821953 /nfs/dbraw/zinc/82/19/53/394821953.db2.gz YSPRQRVVTIUDLM-KBPBESRZSA-N 0 3 250.386 2.165 20 30 CEEDHN CCO[C@@H]1COCC[C@H]1NCC#Cc1ccccc1Cl ZINC000362029374 394842778 /nfs/dbraw/zinc/84/27/78/394842778.db2.gz SMSVQOBBDAXJDB-HZPDHXFCSA-N 0 3 293.794 2.475 20 30 CEEDHN CC#CCCNCc1ccc(Br)cn1 ZINC000125570647 394844044 /nfs/dbraw/zinc/84/40/44/394844044.db2.gz CQIXUDRSHVHFPD-UHFFFAOYSA-N 0 3 253.143 2.347 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@](C)(CCC)C1 ZINC000362433635 394861292 /nfs/dbraw/zinc/86/12/92/394861292.db2.gz GLTGEFXKGUMQKW-CJNGLKHVSA-N 0 3 295.427 2.289 20 30 CEEDHN C=CCOc1cccc(CNCC2([S@](C)=O)CC2)c1 ZINC000282530391 394921031 /nfs/dbraw/zinc/92/10/31/394921031.db2.gz ZAFYNECYPYDZSA-IBGZPJMESA-N 0 3 279.405 2.252 20 30 CEEDHN C[C@@H](C#N)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338758061 394928145 /nfs/dbraw/zinc/92/81/45/394928145.db2.gz SGYLDPPRTGKGDZ-GWCFXTLKSA-N 0 3 279.771 2.219 20 30 CEEDHN N#CCCOCCN1CCS[C@H]2CCCC[C@H]21 ZINC000339014559 394936309 /nfs/dbraw/zinc/93/63/09/394936309.db2.gz CSIYRAATCJTBKT-OLZOCXBDSA-N 0 3 254.399 2.277 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)C1 ZINC000339047480 394938689 /nfs/dbraw/zinc/93/86/89/394938689.db2.gz QHVRPBOSULLDOW-BFJAYTPKSA-N 0 3 287.407 2.154 20 30 CEEDHN CCC[C@H](C)N(C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000339099624 394942691 /nfs/dbraw/zinc/94/26/91/394942691.db2.gz WINLSCXJGBLHLS-STQMWFEESA-N 0 3 253.390 2.115 20 30 CEEDHN C=CCCCN1CCCC[C@H]1CCS(C)(=O)=O ZINC000366428432 394944531 /nfs/dbraw/zinc/94/45/31/394944531.db2.gz HTKABUQTPDZTHP-ZDUSSCGKSA-N 0 3 259.415 2.242 20 30 CEEDHN C=CCCC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000284520751 394946742 /nfs/dbraw/zinc/94/67/42/394946742.db2.gz WQOBGUMSDFZSJC-HNNXBMFYSA-N 0 3 276.380 2.380 20 30 CEEDHN C=CCOCCN1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000339211682 394952944 /nfs/dbraw/zinc/95/29/44/394952944.db2.gz YQFDYGDHZAHJCM-KRWDZBQOSA-N 0 3 289.375 2.006 20 30 CEEDHN C#CCSCC[NH2+]Cc1cccc(OCC)c1[O-] ZINC000152948188 394999643 /nfs/dbraw/zinc/99/96/43/394999643.db2.gz QWCVOOLQECFHTQ-UHFFFAOYSA-N 0 3 265.378 2.247 20 30 CEEDHN Cc1ccccc1C(C)(C)NCC(=O)NC1(C#N)CCC1 ZINC000339488240 394962902 /nfs/dbraw/zinc/96/29/02/394962902.db2.gz OKGQELPYGRXYFN-UHFFFAOYSA-N 0 3 285.391 2.382 20 30 CEEDHN CC(C)[C@@H]1CN(c2ncc3c(c2C#N)CCC3)CCN1C ZINC000425260347 395054712 /nfs/dbraw/zinc/05/47/12/395054712.db2.gz ONXQDYRSDZAPCI-INIZCTEOSA-N 0 3 284.407 2.218 20 30 CEEDHN C#CCN(C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000288309210 395057350 /nfs/dbraw/zinc/05/73/50/395057350.db2.gz XGLTYKILMSLOPS-RHSMWYFYSA-N 0 3 299.418 2.485 20 30 CEEDHN CN1CCC(n2ccc(NCC(C)(C)CCC#N)n2)CC1 ZINC000373263410 395057690 /nfs/dbraw/zinc/05/76/90/395057690.db2.gz HIMAKJOQEXVNET-UHFFFAOYSA-N 0 3 289.427 2.314 20 30 CEEDHN C#C[C@H](NC(=O)C1C[C@@H](c2ccccc2)OC1=O)C(C)C ZINC000289249206 395072225 /nfs/dbraw/zinc/07/22/25/395072225.db2.gz AUFFDGNEQUJJAJ-ILXRZTDVSA-N 0 3 285.343 2.065 20 30 CEEDHN C#C[C@H](NC(=O)C1C[C@@H](c2ccccc2)OC1=O)C(C)C ZINC000289249209 395072798 /nfs/dbraw/zinc/07/27/98/395072798.db2.gz AUFFDGNEQUJJAJ-KKUMJFAQSA-N 0 3 285.343 2.065 20 30 CEEDHN CC(C#N)C(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000345752434 395075555 /nfs/dbraw/zinc/07/55/55/395075555.db2.gz PHGJAELOSOFKBA-SECBINFHSA-N 0 3 286.253 2.360 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000345804534 395078187 /nfs/dbraw/zinc/07/81/87/395078187.db2.gz AXVUUEAOYUFKDK-WCVJEAGWSA-N 0 3 294.439 2.204 20 30 CEEDHN C=CCOc1ccc(CN[C@@H]2CCC[C@H]2C(=O)NC)cc1 ZINC000345823150 395079132 /nfs/dbraw/zinc/07/91/32/395079132.db2.gz VHNINSAFGHVUME-HZPDHXFCSA-N 0 3 288.391 2.256 20 30 CEEDHN C=CCOc1ccc(CN(C)[C@H](C)CO)cc1OC ZINC000289512265 395079435 /nfs/dbraw/zinc/07/94/35/395079435.db2.gz UVMMJMWLQOIXFL-GFCCVEGCSA-N 0 3 265.353 2.073 20 30 CEEDHN C#C[C@@H](NCc1c(C)n(C)n(-c2ccccc2)c1=O)C(C)C ZINC000289518992 395079628 /nfs/dbraw/zinc/07/96/28/395079628.db2.gz PGPLXGSVUCGQOP-QGZVFWFLSA-N 0 3 297.402 2.232 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000426815107 395080521 /nfs/dbraw/zinc/08/05/21/395080521.db2.gz JQFNEKUSGZKSCM-IAGOWNOFSA-N 0 3 297.402 2.296 20 30 CEEDHN C#C[C@@H](NCc1ccc(N2CCCC2)nc1)C(C)C ZINC000289596302 395081387 /nfs/dbraw/zinc/08/13/87/395081387.db2.gz UZOQLYHMXKJDNH-OAHLLOKOSA-N 0 3 257.381 2.429 20 30 CEEDHN C=C[C@@H](CO)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000289643045 395082819 /nfs/dbraw/zinc/08/28/19/395082819.db2.gz FUHUXBPJIPWTIO-KOLCDFICSA-N 0 3 257.280 2.486 20 30 CEEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000289848912 395088882 /nfs/dbraw/zinc/08/88/82/395088882.db2.gz QIMDZPRCMPJGER-OCCSQVGLSA-N 0 3 291.395 2.414 20 30 CEEDHN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)C(C)C#N ZINC000346288732 395093881 /nfs/dbraw/zinc/09/38/81/395093881.db2.gz UPUONCRZWGVFTG-CYBMUJFWSA-N 0 3 287.363 2.250 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(NC)s2)CC1 ZINC000290126639 395095535 /nfs/dbraw/zinc/09/55/35/395095535.db2.gz JSEJPRJBTBDUPZ-UHFFFAOYSA-N 0 3 279.409 2.170 20 30 CEEDHN CC[C@@](C)(NC(=O)C(C)C#N)c1nc(C)cs1 ZINC000346360775 395096264 /nfs/dbraw/zinc/09/62/64/395096264.db2.gz BVCHYIXQHGZANZ-PRHODGIISA-N 0 3 251.355 2.353 20 30 CEEDHN C#C[C@@H](NCc1cnc(N2CCOCC2)s1)C(C)(C)C ZINC000290207772 395096387 /nfs/dbraw/zinc/09/63/87/395096387.db2.gz QFQVPAQOKIMFHY-CYBMUJFWSA-N 0 3 293.436 2.117 20 30 CEEDHN C=C(C)CNC(=O)CCN1CCc2ccccc2C1 ZINC000416206673 395031413 /nfs/dbraw/zinc/03/14/13/395031413.db2.gz BHSUEDMZNIJVJF-UHFFFAOYSA-N 0 3 258.365 2.127 20 30 CEEDHN N#CCc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000372292066 395038762 /nfs/dbraw/zinc/03/87/62/395038762.db2.gz VZPAFZILNAIWSF-INIZCTEOSA-N 0 3 283.375 2.063 20 30 CEEDHN CC(C)[C@H](CNC(=O)[C@@H](C)C#N)N1CCc2ccccc2C1 ZINC000347034333 395117479 /nfs/dbraw/zinc/11/74/79/395117479.db2.gz IRQVGNIYUSAGOU-YOEHRIQHSA-N 0 3 299.418 2.345 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cccc(CC#N)c1 ZINC000172605151 395104608 /nfs/dbraw/zinc/10/46/08/395104608.db2.gz FMIMITYXGCDBKJ-BBRMVZONSA-N 0 3 285.391 2.165 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)CCc2ccc(C#N)cc2)CN1C1CC1 ZINC000177134783 395146566 /nfs/dbraw/zinc/14/65/66/395146566.db2.gz AKKCBQDPFYPXJE-BBRMVZONSA-N 0 3 297.402 2.232 20 30 CEEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1CN(C)C(=O)O1 ZINC000496439528 395155425 /nfs/dbraw/zinc/15/54/25/395155425.db2.gz ARJKBJQDRZPDGK-OAHLLOKOSA-N 0 3 287.363 2.219 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000293404774 395232463 /nfs/dbraw/zinc/23/24/63/395232463.db2.gz RPSNXPMZULVJJR-RHSMWYFYSA-N 0 3 284.403 2.176 20 30 CEEDHN CC[C@H](CO)NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000182695006 395247066 /nfs/dbraw/zinc/24/70/66/395247066.db2.gz QQLUCEQEZOQUBG-MRXNPFEDSA-N 0 3 298.390 2.324 20 30 CEEDHN C=CCOCCN1CCC[C@H](c2nncn2C(C)C)C1 ZINC000293706587 395247851 /nfs/dbraw/zinc/24/78/51/395247851.db2.gz DGHZGOIYYQPZLC-AWEZNQCLSA-N 0 3 278.400 2.241 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C(C)C)C(C)C ZINC000180452558 395203962 /nfs/dbraw/zinc/20/39/62/395203962.db2.gz GHSUKVPANCWUID-ZDUSSCGKSA-N 0 3 253.390 2.113 20 30 CEEDHN N#CC(C(=O)c1cnn2c1CCC2)c1nc2ccccc2[nH]1 ZINC000519685441 395207857 /nfs/dbraw/zinc/20/78/57/395207857.db2.gz UOXWWVLPSOXSDB-SNVBAGLBSA-N 0 3 291.314 2.196 20 30 CEEDHN C=CCCC[C@@H](C)N[C@H](Cc1ccccc1)C(N)=O ZINC000351382421 395212806 /nfs/dbraw/zinc/21/28/06/395212806.db2.gz IYQTZZLYHFPITN-UKRRQHHQSA-N 0 3 260.381 2.417 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1c[nH]c(C#N)c1 ZINC000181391352 395214705 /nfs/dbraw/zinc/21/47/05/395214705.db2.gz GJWQPEOSIFFHCW-LBPRGKRZSA-N 0 3 289.298 2.263 20 30 CEEDHN CCCC[C@H](C)N(C)CC(=O)N(CC)CCC#N ZINC000352421696 395252785 /nfs/dbraw/zinc/25/27/85/395252785.db2.gz DKOJYZFBBCADEV-ZDUSSCGKSA-N 0 3 253.390 2.259 20 30 CEEDHN C[C@@H]1CN[C@@H](C)CN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000420243986 395284446 /nfs/dbraw/zinc/28/44/46/395284446.db2.gz YAVQUGBDABNYHT-DTWKUNHWSA-N 0 3 284.285 2.159 20 30 CEEDHN COC(=O)[C@@]1(C)CCN(Cc2ccc(C#N)cc2C)C1 ZINC000186257512 395288502 /nfs/dbraw/zinc/28/85/02/395288502.db2.gz CRZWQQTULIJMAT-INIZCTEOSA-N 0 3 272.348 2.252 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)CCc1ccc(C#N)cc1 ZINC000186736962 395294931 /nfs/dbraw/zinc/29/49/31/395294931.db2.gz YCJULFJBLVPGKZ-UHFFFAOYSA-N 0 3 285.391 2.043 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H](C)CC1(C)C ZINC000408290217 395296572 /nfs/dbraw/zinc/29/65/72/395296572.db2.gz ICJSWRSJTVHCAO-DOMZBBRYSA-N 0 3 265.401 2.161 20 30 CEEDHN C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(OCC#N)cc1 ZINC000183570006 395259031 /nfs/dbraw/zinc/25/90/31/395259031.db2.gz KKWPHQUEQITEDW-KCQAQPDRSA-N 0 3 272.348 2.177 20 30 CEEDHN CC[C@H](CC#N)NC(=O)c1ccc(CN(C)C)cc1 ZINC000183797743 395262027 /nfs/dbraw/zinc/26/20/27/395262027.db2.gz LZGJKCCUXNMDKM-CQSZACIVSA-N 0 3 259.353 2.170 20 30 CEEDHN Cc1ccccc1[C@H]1CN(C(=O)C(C)C#N)CCO1 ZINC000525253123 395263638 /nfs/dbraw/zinc/26/36/38/395263638.db2.gz NCCUCYFHMWWLIL-TZMCWYRMSA-N 0 3 258.321 2.055 20 30 CEEDHN C=CC[C@H](CO)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000184281844 395271046 /nfs/dbraw/zinc/27/10/46/395271046.db2.gz RUNRMRADTNHVAL-GFCCVEGCSA-N 0 3 255.745 2.381 20 30 CEEDHN C[C@@H]1C[C@H](C)N1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000525940629 395274184 /nfs/dbraw/zinc/27/41/84/395274184.db2.gz DNEWBILMLYCVON-ZOWXZIJZSA-N 0 3 267.332 2.250 20 30 CEEDHN COc1cc(CN(C)[C@H]2CCN(C3CC3)C2)ccc1C#N ZINC000442887984 395397830 /nfs/dbraw/zinc/39/78/30/395397830.db2.gz COMAGHMVOLNHNH-INIZCTEOSA-N 0 3 285.391 2.235 20 30 CEEDHN Cc1cccc(CCNCc2cnc3ccc(C#N)cn23)n1 ZINC000355220108 395372196 /nfs/dbraw/zinc/37/21/96/395372196.db2.gz MAXFNZWKKAJDQM-UHFFFAOYSA-N 0 3 291.358 2.242 20 30 CEEDHN CN(C)CCN(Cc1ccccc1F)c1cncc(C#N)n1 ZINC000420595450 395382882 /nfs/dbraw/zinc/38/28/82/395382882.db2.gz FXGQGCJCFPVMAX-UHFFFAOYSA-N 0 3 299.353 2.056 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000442670878 395389883 /nfs/dbraw/zinc/38/98/83/395389883.db2.gz KEXUUCBIHWGMEG-SGMGOOAPSA-N 0 3 270.442 2.093 20 30 CEEDHN CN(C[C@@H]1CCCN1C)c1ccc(Cl)c(C#N)n1 ZINC000420629634 395393264 /nfs/dbraw/zinc/39/32/64/395393264.db2.gz CRDOCTYPSYBMDR-JTQLQIEISA-N 0 3 264.760 2.137 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000411399191 395328887 /nfs/dbraw/zinc/32/88/87/395328887.db2.gz QOFQCWSIMBVMMT-UMVBOHGHSA-N 0 3 275.396 2.154 20 30 CEEDHN C[C@@H](CCC#N)N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000411777082 395339248 /nfs/dbraw/zinc/33/92/48/395339248.db2.gz ZTZLSWIKHOXPGN-QWHCGFSZSA-N 0 3 265.401 2.292 20 30 CEEDHN CC(C)(C)C[C@@H]1CCN(CC(=O)NCC#N)C1(C)C ZINC000412031474 395344447 /nfs/dbraw/zinc/34/44/47/395344447.db2.gz FVXUJXWBYFKBFI-LBPRGKRZSA-N 0 3 265.401 2.163 20 30 CEEDHN C[C@@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)[C@H]1C ZINC000566245737 395507797 /nfs/dbraw/zinc/50/77/97/395507797.db2.gz RCYADTCZGUVJKA-NEPJUHHUSA-N 0 3 269.352 2.221 20 30 CEEDHN C=CCCCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448034235 395508587 /nfs/dbraw/zinc/50/85/87/395508587.db2.gz GTKKCJAIFBABLB-CYBMUJFWSA-N 0 3 267.417 2.372 20 30 CEEDHN CC[C@@H]1C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000448724701 395534703 /nfs/dbraw/zinc/53/47/03/395534703.db2.gz HQXXWWMBNXYBQG-IAGOWNOFSA-N 0 3 299.418 2.495 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)N(CCN(C)C)c1ccccc1 ZINC000448825693 395541807 /nfs/dbraw/zinc/54/18/07/395541807.db2.gz XDAJXSNWPCQTBB-UHFFFAOYSA-N 0 3 296.374 2.403 20 30 CEEDHN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc(C#N)cc1OC ZINC000451256793 395599604 /nfs/dbraw/zinc/59/96/04/395599604.db2.gz PIHPONSSNAFSNV-HUUCEWRRSA-N 0 3 274.364 2.160 20 30 CEEDHN C=CCN(CCCC(=O)N(C)C)Cc1cccc(C#N)c1 ZINC000568971602 395571348 /nfs/dbraw/zinc/57/13/48/395571348.db2.gz OKZUJSYJOPIJBN-UHFFFAOYSA-N 0 3 285.391 2.415 20 30 CEEDHN Cc1nccn1CCCCNC[C@@H](C#N)CCC#N ZINC000570082598 395581204 /nfs/dbraw/zinc/58/12/04/395581204.db2.gz OKAZOSSGMRMETH-CQSZACIVSA-N 0 3 259.357 2.005 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)CN1CC[C@H](C)C1 ZINC000570939325 395583988 /nfs/dbraw/zinc/58/39/88/395583988.db2.gz DNELDPCANHJLHQ-HNNXBMFYSA-N 0 3 297.402 2.415 20 30 CEEDHN CO[C@H]1CCN(CCOc2cccc(C#N)c2)C[C@@H]1C ZINC000451553063 395622495 /nfs/dbraw/zinc/62/24/95/395622495.db2.gz YJGGQTWSTKVKPA-BBRMVZONSA-N 0 3 274.364 2.294 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NCCN1CCCC1(C)C ZINC000457053004 395634656 /nfs/dbraw/zinc/63/46/56/395634656.db2.gz JGRXAKJGNQYRGB-UHFFFAOYSA-N 0 3 275.352 2.064 20 30 CEEDHN C[C@H](CNC(C)(C)c1cccc(C#N)c1)CS(C)(=O)=O ZINC000595635940 395666407 /nfs/dbraw/zinc/66/64/07/395666407.db2.gz PRHLBBHCGLIZRP-GFCCVEGCSA-N 0 3 294.420 2.064 20 30 CEEDHN N#Cc1ccccc1OCCN1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459727893 395666614 /nfs/dbraw/zinc/66/66/14/395666614.db2.gz RIKXDPXQKDYKRB-CVEARBPZSA-N 0 3 298.386 2.438 20 30 CEEDHN CO[C@@H]1C[C@H](NCC(=O)Nc2ccc(C#N)cc2)C12CCC2 ZINC000459775595 395666751 /nfs/dbraw/zinc/66/67/51/395666751.db2.gz VBNQFGGUNVNVGY-LSDHHAIUSA-N 0 3 299.374 2.044 20 30 CEEDHN Cc1cc(CN2CCC[C@@H](Cn3ccnn3)C2)ccc1C#N ZINC000488157126 395668023 /nfs/dbraw/zinc/66/80/23/395668023.db2.gz ZQPPBKLJKMBIRT-MRXNPFEDSA-N 0 3 295.390 2.370 20 30 CEEDHN Cc1cc(CN2CCN(C)[C@H](C)[C@H]2C)ccc1C#N ZINC000488157936 395668126 /nfs/dbraw/zinc/66/81/26/395668126.db2.gz FHWXPJVUOLCPAM-ZIAGYGMSSA-N 0 3 257.381 2.391 20 30 CEEDHN COCCCOCCN(C)Cc1ccc(C#N)c(C)c1 ZINC000488167866 395668175 /nfs/dbraw/zinc/66/81/75/395668175.db2.gz XGVBCZPXTYSWAO-UHFFFAOYSA-N 0 3 276.380 2.352 20 30 CEEDHN C#C[C@@H](NC(=O)C(=C)CN(C)C)c1ccc(Cl)cc1 ZINC000491393457 395669231 /nfs/dbraw/zinc/66/92/31/395669231.db2.gz HSIUUJNMKYULHS-CQSZACIVSA-N 0 3 276.767 2.248 20 30 CEEDHN C#CCN(C)CCCNC(=S)N[C@@H](C)c1cccs1 ZINC000491542770 395670086 /nfs/dbraw/zinc/67/00/86/395670086.db2.gz BWHVUDAXWPVNDK-LBPRGKRZSA-N 0 3 295.477 2.228 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(CC)Cc1occc1C ZINC000491746960 395670627 /nfs/dbraw/zinc/67/06/27/395670627.db2.gz VSAWOTVLRODTAH-UHFFFAOYSA-N 0 3 291.395 2.075 20 30 CEEDHN C=C[C@H](CC(=O)NC[C@@H]1C[C@H](F)CN1)c1ccccc1 ZINC000649363234 396129328 /nfs/dbraw/zinc/12/93/28/396129328.db2.gz FONYASUQBBEOHM-SNPRPXQTSA-N 0 3 276.355 2.163 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCc2ccccc2[C@@H](C)C1 ZINC000649833198 396270699 /nfs/dbraw/zinc/27/06/99/396270699.db2.gz HXLNDTIYFGWNLF-UONOGXRCSA-N 0 3 272.392 2.339 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(CC)c(C)s1 ZINC000491712901 400595209 /nfs/dbraw/zinc/59/52/09/400595209.db2.gz ZKIXAUVIXCNMDN-UHFFFAOYSA-N 0 3 278.421 2.304 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000360228480 155249510 /nfs/dbraw/zinc/24/95/10/155249510.db2.gz SVQIYKZIGBGRLS-NEPJUHHUSA-N 0 3 289.379 2.452 20 30 CEEDHN N#Cc1cccc(CN2CCN(CC3CC3)CC2)c1F ZINC000223523675 153315302 /nfs/dbraw/zinc/31/53/02/153315302.db2.gz QWAXJSQQLZCKPC-UHFFFAOYSA-N 0 3 273.355 2.225 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)c(F)c1 ZINC000230313542 153391523 /nfs/dbraw/zinc/39/15/23/153391523.db2.gz WMPLEDSJRUZHCR-HUUCEWRRSA-N 0 3 260.312 2.354 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H](c3nc[nH]n3)C2)c(F)c1 ZINC000363642148 156036965 /nfs/dbraw/zinc/03/69/65/156036965.db2.gz WSCMZOBVXXGKQD-ZDUSSCGKSA-N 0 3 285.326 2.195 20 30 CEEDHN N#Cc1cccnc1N1CCCN(C[C@@H]2CCC=CO2)CC1 ZINC000364960351 156071722 /nfs/dbraw/zinc/07/17/22/156071722.db2.gz YVHOOZQLKUXFJC-INIZCTEOSA-N 0 3 298.390 2.158 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 ZINC000368596248 156373556 /nfs/dbraw/zinc/37/35/56/156373556.db2.gz UQDAIZWYVGAQGT-IRXDYDNUSA-N 0 3 297.402 2.043 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@H]21 ZINC000368596247 156374497 /nfs/dbraw/zinc/37/44/97/156374497.db2.gz UQDAIZWYVGAQGT-IAGOWNOFSA-N 0 3 297.402 2.043 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3cccc(C#N)c3)[C@@H]2C1 ZINC000374896477 157026610 /nfs/dbraw/zinc/02/66/10/157026610.db2.gz OIYZTYVWVIRSFY-SDKBWNRFSA-N 0 3 295.386 2.124 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000376167443 157192356 /nfs/dbraw/zinc/19/23/56/157192356.db2.gz QFPOXQZWUNYUKQ-GDBMZVCRSA-N 0 3 298.390 2.425 20 30 CEEDHN N#Cc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3O)s1 ZINC000179750377 165287236 /nfs/dbraw/zinc/28/72/36/165287236.db2.gz YJSJEVMWQMJWEJ-BVUQATHDSA-N 0 3 262.378 2.213 20 30 CEEDHN C[C@@H]1CC(=O)N[C@H](C(=O)NC2(CN(C)C)CCC2)C1 ZINC000329161982 287229373 /nfs/dbraw/zinc/22/93/73/287229373.db2.gz FVQNSBMFURFHIT-QWRGUYRKSA-N 0 3 267.373 2.182 20 30 CEEDHN N#Cc1ccc(CNC[C@H]2COc3ccccc3O2)cc1 ZINC000020137982 171025205 /nfs/dbraw/zinc/02/52/05/171025205.db2.gz WNFZKOCFDIMMHY-HNNXBMFYSA-N 0 3 280.327 2.488 20 30 CEEDHN COCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285554534 196325382 /nfs/dbraw/zinc/32/53/82/196325382.db2.gz RUNDBTRRNJTUAF-UHFFFAOYSA-N 0 3 278.327 2.187 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@H]1CC1CCCC1 ZINC000653892147 414775344 /nfs/dbraw/zinc/77/53/44/414775344.db2.gz BDHGOTFNKHFLRI-AWEZNQCLSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCC1(NC(=O)C[C@H](N)c2ccccc2)CCOCC1 ZINC000662875648 414782348 /nfs/dbraw/zinc/78/23/48/414782348.db2.gz WKWDVMKFFGPYIA-HNNXBMFYSA-N 0 3 288.391 2.318 20 30 CEEDHN CCC[C@@H]1CN(CCC(C)(C)C#N)CCN1CCOC ZINC000345929214 414877953 /nfs/dbraw/zinc/87/79/53/414877953.db2.gz BASUTWAIRREOFS-OAHLLOKOSA-N 0 3 281.444 2.359 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654309407 414898911 /nfs/dbraw/zinc/89/89/11/414898911.db2.gz ZJFMFIAXWBNZCQ-RBSFLKMASA-N 0 3 280.412 2.101 20 30 CEEDHN C=CCOc1ccc(CNC[C@@H](OC)[C@H]2CCOC2)cc1 ZINC000657543393 414995569 /nfs/dbraw/zinc/99/55/69/414995569.db2.gz LLBSOGOKTCIMLA-DOTOQJQBSA-N 0 3 291.391 2.393 20 30 CEEDHN C=CCN(CC=C)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654724234 415018665 /nfs/dbraw/zinc/01/86/65/415018665.db2.gz AIIKKNRDWHHSPQ-LSDHHAIUSA-N 0 3 277.412 2.387 20 30 CEEDHN C=CCCn1cc(CN[C@@H](C)CN2CCC(C)CC2)nn1 ZINC000657695082 415050416 /nfs/dbraw/zinc/05/04/16/415050416.db2.gz UWUXOOZLNNMXJR-HNNXBMFYSA-N 0 3 291.443 2.064 20 30 CEEDHN C=CCN(Cc1ccc(C(=O)NC)cc1)[C@H](C)COC ZINC000661241428 415151237 /nfs/dbraw/zinc/15/12/37/415151237.db2.gz YDAKECOXGFEEPS-CYBMUJFWSA-N 0 3 276.380 2.069 20 30 CEEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)NCCCOCC)C1 ZINC000661378368 415233276 /nfs/dbraw/zinc/23/32/76/415233276.db2.gz DXDJSEKRJITDOS-GJZGRUSLSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)NCCCOCC)C1 ZINC000661378369 415231727 /nfs/dbraw/zinc/23/17/27/415231727.db2.gz DXDJSEKRJITDOS-HUUCEWRRSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCN1CC[C@H](N2CCC([C@@H]3CCCCO3)CC2)C1=O ZINC000661865265 415507531 /nfs/dbraw/zinc/50/75/31/415507531.db2.gz FUISUHQCRYVVQM-HOTGVXAUSA-N 0 3 292.423 2.054 20 30 CEEDHN C=C(CNC(=O)N(CC)[C@@H]1CCN(C)C1)c1ccccc1 ZINC000664899314 415515280 /nfs/dbraw/zinc/51/52/80/415515280.db2.gz UKRSCCCUHQQVQI-MRXNPFEDSA-N 0 3 287.407 2.435 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCCCOCC ZINC000662079785 415612389 /nfs/dbraw/zinc/61/23/89/415612389.db2.gz MFSUCIQCWIVOIM-SOUVJXGZSA-N 0 3 280.412 2.101 20 30 CEEDHN C=CCN1CC[C@H](N2CCC[C@H](C3CCC3)C2)C1=O ZINC000662044305 415596448 /nfs/dbraw/zinc/59/64/48/415596448.db2.gz QSGAZLNGMBESFI-GJZGRUSLSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCC[C@H](NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccco1 ZINC000665292706 415680707 /nfs/dbraw/zinc/68/07/07/415680707.db2.gz HWZFOVVJZJOYPP-LBPRGKRZSA-N 0 3 288.351 2.031 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCN(C)C ZINC000665391967 415723643 /nfs/dbraw/zinc/72/36/43/415723643.db2.gz OFDRUBFYNKCBRP-KGLIPLIRSA-N 0 3 267.417 2.324 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC2CC1(C)C2 ZINC000662380248 415812351 /nfs/dbraw/zinc/81/23/51/415812351.db2.gz GENXZDWLMBYXEH-OPFPJEHXSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)[C@@]2(N)C[C@H](OCC)C2(C)C)C1 ZINC000662629521 415911423 /nfs/dbraw/zinc/91/14/23/415911423.db2.gz DUXORKXEMGTNGJ-KEYYUXOJSA-N 0 3 294.439 2.334 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000662631677 415913747 /nfs/dbraw/zinc/91/37/47/415913747.db2.gz XKVSZNNQUXICSJ-CVEARBPZSA-N 0 3 272.392 2.371 20 30 CEEDHN C=CCNC(=O)CN1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000076392114 177014537 /nfs/dbraw/zinc/01/45/37/177014537.db2.gz JUFUOINWTSDTCG-DZGCQCFKSA-N 0 3 288.391 2.175 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccccc2C)CC1 ZINC000076967854 177136072 /nfs/dbraw/zinc/13/60/72/177136072.db2.gz KESOUJFJBBTZMQ-UHFFFAOYSA-N 0 3 258.365 2.375 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000566858604 299027388 /nfs/dbraw/zinc/02/73/88/299027388.db2.gz RYKOESJYSQRJDC-OCCSQVGLSA-N 0 3 289.335 2.107 20 30 CEEDHN Cc1cccc(C)c1OC[C@H](C)NC(=O)C(C)C#N ZINC000347070547 226013113 /nfs/dbraw/zinc/01/31/13/226013113.db2.gz OEXISCJEBHEIPV-STQMWFEESA-N 0 3 260.337 2.347 20 30 CEEDHN COCCN(CCC(C)(C)C#N)[C@@H]1CCO[C@H]1C ZINC000347132353 226039167 /nfs/dbraw/zinc/03/91/67/226039167.db2.gz PBGZWOOMYAYFCZ-QWHCGFSZSA-N 0 3 254.374 2.052 20 30 CEEDHN C[C@H](C#N)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000347137702 226056981 /nfs/dbraw/zinc/05/69/81/226056981.db2.gz PWACMMYOSKMLDR-MRXNPFEDSA-N 0 3 299.418 2.313 20 30 CEEDHN N#CC(C(=O)c1ccc(-c2ncon2)cc1)c1ccncn1 ZINC000354466162 227003711 /nfs/dbraw/zinc/00/37/11/227003711.db2.gz MLWTXWFJMJGULC-LBPRGKRZSA-N 0 3 291.270 2.017 20 30 CEEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)ccc1F ZINC000354467333 227004355 /nfs/dbraw/zinc/00/43/55/227004355.db2.gz LAYOOFBCCWIZTM-NSHDSACASA-N 0 3 255.252 2.414 20 30 CEEDHN C[C@H](CN(C)C)NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000354516343 227019633 /nfs/dbraw/zinc/01/96/33/227019633.db2.gz SVBIWKUIIFWBSS-HIFRSBDPSA-N 0 3 288.395 2.281 20 30 CEEDHN C#Cc1ccc(CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1 ZINC000297653464 260131010 /nfs/dbraw/zinc/13/10/10/260131010.db2.gz NXZYZNBIRQGFJN-PBHICJAKSA-N 0 3 299.418 2.150 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N(CCC)Cc1ccccc1 ZINC000297969520 260140117 /nfs/dbraw/zinc/14/01/17/260140117.db2.gz VDBHOIQPLMAKTO-CQSZACIVSA-N 0 3 258.365 2.037 20 30 CEEDHN C#Cc1ccc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000367954469 260143627 /nfs/dbraw/zinc/14/36/27/260143627.db2.gz BTBMBOGYNMHIOU-ZWKOTPCHSA-N 0 3 299.414 2.468 20 30 CEEDHN CCn1cnnc1C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000407988828 260152797 /nfs/dbraw/zinc/15/27/97/260152797.db2.gz GJGVWRMUACOTTA-OCCSQVGLSA-N 0 3 273.384 2.170 20 30 CEEDHN C#CCN(C)CCC(=O)Nc1ccccc1SC ZINC000298511278 260155970 /nfs/dbraw/zinc/15/59/70/260155970.db2.gz KRMBRPSMCVYLRN-UHFFFAOYSA-N 0 3 262.378 2.302 20 30 CEEDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCC2(C#N)CC2)C1 ZINC000408111043 260236008 /nfs/dbraw/zinc/23/60/08/260236008.db2.gz YQZLDGBGJKSBOQ-WFASDCNBSA-N 0 3 250.386 2.457 20 30 CEEDHN N#Cc1ccc([C@H](C(N)=O)N2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000426771152 260305369 /nfs/dbraw/zinc/30/53/69/260305369.db2.gz ZEXOQPGDRQNONC-HRCADAONSA-N 0 3 283.375 2.207 20 30 CEEDHN CC(C#N)C(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000426992022 260548116 /nfs/dbraw/zinc/54/81/16/260548116.db2.gz PJCKNCLHXSOOBA-VXGBXAGGSA-N 0 3 278.377 2.415 20 30 CEEDHN C#CCN1CCC(C(=O)NCC2C(C)(C)C2(C)C)CC1 ZINC000490738595 261194971 /nfs/dbraw/zinc/19/49/71/261194971.db2.gz BCPWZUGCTUJUNP-UHFFFAOYSA-N 0 3 276.424 2.130 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000249921482 261260576 /nfs/dbraw/zinc/26/05/76/261260576.db2.gz YUUJEOAIXSGSSX-DZGCQCFKSA-N 0 3 288.391 2.175 20 30 CEEDHN C#CCN(CC)CCC(=O)N1CCCc2ccccc21 ZINC000491126211 261340977 /nfs/dbraw/zinc/34/09/77/261340977.db2.gz LTVLHSKJIUCSCT-UHFFFAOYSA-N 0 3 270.376 2.311 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000177562324 261361233 /nfs/dbraw/zinc/36/12/33/261361233.db2.gz LPXZDRLIFCXLJR-GASCZTMLSA-N 0 3 262.397 2.309 20 30 CEEDHN C#C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000364309385 262198158 /nfs/dbraw/zinc/19/81/58/262198158.db2.gz HPFOYIWPNRUFHT-MRXNPFEDSA-N 0 3 299.418 2.234 20 30 CEEDHN C#CCCCC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000364328522 262202886 /nfs/dbraw/zinc/20/28/86/262202886.db2.gz CVKAQRYUJKFYTK-KRWDZBQOSA-N 0 3 299.418 2.213 20 30 CEEDHN N#CC1(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000160818870 262301318 /nfs/dbraw/zinc/30/13/18/262301318.db2.gz HHLQUISSVWOFRY-OAHLLOKOSA-N 0 3 283.375 2.071 20 30 CEEDHN CC(C#N)C(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000496700700 262351668 /nfs/dbraw/zinc/35/16/68/262351668.db2.gz LHTSVOHCHNMAII-NSHDSACASA-N 0 3 295.383 2.052 20 30 CEEDHN C=CCCCN1CCCN(C(=O)c2ccco2)CC1 ZINC000365318696 262359824 /nfs/dbraw/zinc/35/98/24/262359824.db2.gz KPXUKSSTEYZOMO-UHFFFAOYSA-N 0 3 262.353 2.394 20 30 CEEDHN C=CCN1CC[C@H](N(CCC)C[C@@H]2CCCCO2)C1=O ZINC000337156745 262429446 /nfs/dbraw/zinc/42/94/46/262429446.db2.gz PAJMNVPMKCHWSL-GJZGRUSLSA-N 0 3 280.412 2.054 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)CC(C)(C)C)CC1 ZINC000337850068 262478090 /nfs/dbraw/zinc/47/80/90/262478090.db2.gz XRTSRVQAYOKEBN-UHFFFAOYSA-N 0 3 267.417 2.324 20 30 CEEDHN CN1CC=C(CNC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000271936074 263000407 /nfs/dbraw/zinc/00/04/07/263000407.db2.gz CJHNDDNLXPTAGU-UHFFFAOYSA-N 0 3 295.386 2.233 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1[C@@H](C)CCC1(C)C ZINC000452003298 263022250 /nfs/dbraw/zinc/02/22/50/263022250.db2.gz GBQQEHUWFCYYCK-STQMWFEESA-N 0 3 265.401 2.257 20 30 CEEDHN COC(=O)c1coc([C@@H](C)NCCCCC#N)c1 ZINC000278156546 263045510 /nfs/dbraw/zinc/04/55/10/263045510.db2.gz APMMUZQQYLEBAH-SNVBAGLBSA-N 0 3 250.298 2.411 20 30 CEEDHN Cn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CCC[C@H](C#N)C1 ZINC000278443936 263048092 /nfs/dbraw/zinc/04/80/92/263048092.db2.gz WODJSVXHUQCLAO-XGUBFFRZSA-N 0 3 288.395 2.312 20 30 CEEDHN CO/N=C/C(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000289968723 263113524 /nfs/dbraw/zinc/11/35/24/263113524.db2.gz YYVBUWIWKFINIL-MHWRWJLKSA-N 0 3 275.352 2.162 20 30 CEEDHN CCCC[N@H+](C)C[C@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000289973475 263113662 /nfs/dbraw/zinc/11/36/62/263113662.db2.gz RHCFOJNPJTYENB-UWONZBIMSA-N 0 3 293.411 2.127 20 30 CEEDHN CCCC[N@@H+](C)C[C@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000289973475 263113663 /nfs/dbraw/zinc/11/36/63/263113663.db2.gz RHCFOJNPJTYENB-UWONZBIMSA-N 0 3 293.411 2.127 20 30 CEEDHN CN1CC[C@H](NC(=O)CCCC#N)[C@H]1c1ccccc1 ZINC000291922884 263126593 /nfs/dbraw/zinc/12/65/93/263126593.db2.gz NOUCAGHDRWBNEO-GOEBONIOSA-N 0 3 271.364 2.242 20 30 CEEDHN Cc1ccc(OCCN(C)CCOCCC#N)cc1 ZINC000293445254 263140528 /nfs/dbraw/zinc/14/05/28/263140528.db2.gz KGZADUQHSYOXEX-UHFFFAOYSA-N 0 3 262.353 2.236 20 30 CEEDHN CN(CCOCCC#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000296350159 263190525 /nfs/dbraw/zinc/19/05/25/263190525.db2.gz QJMMGLSMZNBUDY-CQSZACIVSA-N 0 3 282.771 2.235 20 30 CEEDHN C=CCSCCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000341104303 263322095 /nfs/dbraw/zinc/32/20/95/263322095.db2.gz TTWFWIXBDGUNSA-CQSZACIVSA-N 0 3 297.468 2.175 20 30 CEEDHN C=CC[C@H](CO)NCc1cnc(C(F)(F)F)s1 ZINC000341430169 263337175 /nfs/dbraw/zinc/33/71/75/263337175.db2.gz JDVJHEFEPRSJHF-SSDOTTSWSA-N 0 3 266.288 2.189 20 30 CEEDHN C=C(CC)CN[C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000341505394 263340047 /nfs/dbraw/zinc/34/00/47/263340047.db2.gz JXPZXMCIJFAZFO-GFCCVEGCSA-N 0 3 282.409 2.212 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)NCCN(C)C1CC1 ZINC000342971044 263567152 /nfs/dbraw/zinc/56/71/52/263567152.db2.gz KYNBGQUIPBXTBI-LBPRGKRZSA-N 0 3 253.390 2.125 20 30 CEEDHN CNC(=O)c1cccc(CNC(C)(C)C(C)(C)O)c1 ZINC000330749974 264028846 /nfs/dbraw/zinc/02/88/46/264028846.db2.gz AIIVIULTLGZLAN-UHFFFAOYSA-N 0 3 264.369 2.260 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc[nH]c1=O ZINC000330730887 264036993 /nfs/dbraw/zinc/03/69/93/264036993.db2.gz IPOXSJKPKROEIV-GFCCVEGCSA-N 0 3 277.368 2.356 20 30 CEEDHN C[C@H](C(=O)NC(=O)NC(C)(C)C)N(C)C[C@H]1CC=CCC1 ZINC000330815518 264045332 /nfs/dbraw/zinc/04/53/32/264045332.db2.gz DDEUAIRHCWIKKM-OLZOCXBDSA-N 0 3 295.427 2.492 20 30 CEEDHN CCNC(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000330873616 264060165 /nfs/dbraw/zinc/06/01/65/264060165.db2.gz DFNKCVRZOQEDDK-CQSZACIVSA-N 0 3 299.459 2.114 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1O ZINC000331197182 264159266 /nfs/dbraw/zinc/15/92/66/264159266.db2.gz NYIHXTAMUBJFPV-HRCADAONSA-N 0 3 286.375 2.179 20 30 CEEDHN CN(Cc1ccc[nH]1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000331309174 264186531 /nfs/dbraw/zinc/18/65/31/264186531.db2.gz GAVNVYORNCRLNO-CQSZACIVSA-N 0 3 292.427 2.481 20 30 CEEDHN C=CC[C@H]1N(CC(=O)NC(=O)NCC)CCCC1(C)C ZINC000331295488 264197647 /nfs/dbraw/zinc/19/76/47/264197647.db2.gz NKDPVHVDONYAOE-GFCCVEGCSA-N 0 3 281.400 2.103 20 30 CEEDHN C[C@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)N1CCCC[C@H]1C ZINC000425406722 264284086 /nfs/dbraw/zinc/28/40/86/264284086.db2.gz PSQPZZQAGWMUNO-APIJFGDWSA-N 0 3 292.427 2.241 20 30 CEEDHN C=C[C@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000128255878 264289054 /nfs/dbraw/zinc/28/90/54/264289054.db2.gz TTZWXMQOPZWWTK-DZGCQCFKSA-N 0 3 275.396 2.471 20 30 CEEDHN C#CCCCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000192175264 264562831 /nfs/dbraw/zinc/56/28/31/264562831.db2.gz JHFXGARWXMTUDK-RDJZCZTQSA-N 0 3 284.403 2.427 20 30 CEEDHN Cc1cccc(C(=O)NCCN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442708840 264585159 /nfs/dbraw/zinc/58/51/59/264585159.db2.gz LTPMJEZWFSCMEU-UKRRQHHQSA-N 0 3 271.364 2.007 20 30 CEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)C#Cc1ccccc1 ZINC000287037607 264600840 /nfs/dbraw/zinc/60/08/40/264600840.db2.gz ISOUNLLBXLGODI-WBVHZDCISA-N 0 3 282.387 2.123 20 30 CEEDHN C#CCN(CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000287919857 264650837 /nfs/dbraw/zinc/65/08/37/264650837.db2.gz FDGZCCAOXSUQBY-DOTOQJQBSA-N 0 3 299.418 2.314 20 30 CEEDHN C=CCOCCN[C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000293686652 264971825 /nfs/dbraw/zinc/97/18/25/264971825.db2.gz AYCQEXGQPQFOOM-HNNXBMFYSA-N 0 3 287.363 2.454 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCn1ccc2ccccc21 ZINC000294064463 265005828 /nfs/dbraw/zinc/00/58/28/265005828.db2.gz VIJBRQALOAEABR-UHFFFAOYSA-N 0 3 297.402 2.103 20 30 CEEDHN C=CCOCCN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000294373665 265013878 /nfs/dbraw/zinc/01/38/78/265013878.db2.gz BDJGBAAHWYXKAS-UHFFFAOYSA-N 0 3 297.786 2.176 20 30 CEEDHN CC(C#N)C(=O)N1CCC(COc2ccccc2)CC1 ZINC000345754231 265096928 /nfs/dbraw/zinc/09/69/28/265096928.db2.gz DIBHIIBTRDDGOG-CYBMUJFWSA-N 0 3 272.348 2.464 20 30 CEEDHN C=CCCC1(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)CC1 ZINC000356532694 266131565 /nfs/dbraw/zinc/13/15/65/266131565.db2.gz LUUFDUXJNILJRC-OLZOCXBDSA-N 0 3 282.453 2.237 20 30 CEEDHN COC[C@H](NC(=O)C(C)C#N)c1cccc(Cl)c1 ZINC000356607318 266147685 /nfs/dbraw/zinc/14/76/85/266147685.db2.gz XKETWPJKBSVJEM-CABZTGNLSA-N 0 3 266.728 2.303 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](C)C2(CCC2)C1 ZINC000357021393 266233769 /nfs/dbraw/zinc/23/37/69/266233769.db2.gz HHRAXZNGBIAVMU-KGLIPLIRSA-N 0 3 277.412 2.259 20 30 CEEDHN C=CCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000357047572 266238706 /nfs/dbraw/zinc/23/87/06/266238706.db2.gz JULREDNUXLIPGN-DLBZAZTESA-N 0 3 299.418 2.336 20 30 CEEDHN C=CCCC1(C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000357162899 266258173 /nfs/dbraw/zinc/25/81/73/266258173.db2.gz XCNKWRAKDNEALX-OAHLLOKOSA-N 0 3 294.439 2.350 20 30 CEEDHN CCCN(CC#N)C(=O)[C@@H](C)N1CCCCCC1 ZINC000357791528 266363661 /nfs/dbraw/zinc/36/36/61/266363661.db2.gz ALTZKLQHZKQTBG-CYBMUJFWSA-N 0 3 251.374 2.013 20 30 CEEDHN CC(C#N)C(=O)NCCCO[C@H](C)c1ccccc1 ZINC000357810303 266369953 /nfs/dbraw/zinc/36/99/53/266369953.db2.gz XEWWFHWJZJANJH-QWHCGFSZSA-N 0 3 260.337 2.430 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000357820707 266372406 /nfs/dbraw/zinc/37/24/06/266372406.db2.gz IBJFKAPLJLTRFE-CHWSQXEVSA-N 0 3 275.352 2.082 20 30 CEEDHN CC(C#N)C(=O)NCc1cccnc1OC1CCCC1 ZINC000357845671 266376076 /nfs/dbraw/zinc/37/60/76/266376076.db2.gz ZCLZFZDAXYSNTP-LLVKDONJSA-N 0 3 273.336 2.179 20 30 CEEDHN N#CC(C(=O)Nc1ccc(F)c(F)c1)c1ccncn1 ZINC000358054513 266409248 /nfs/dbraw/zinc/40/92/48/266409248.db2.gz LCMIRZLHEFKESH-VIFPVBQESA-N 0 3 274.230 2.001 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2CC)CC1 ZINC000358805172 266494224 /nfs/dbraw/zinc/49/42/24/266494224.db2.gz AQUKQDCFDTXYAL-AWEZNQCLSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@H]2CCCC[C@H]21 ZINC000368053004 267142956 /nfs/dbraw/zinc/14/29/56/267142956.db2.gz BADQODICCDPYGD-RRFJBIMHSA-N 0 3 262.397 2.450 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000368137914 267147935 /nfs/dbraw/zinc/14/79/35/267147935.db2.gz DIZQZSNGPKPMKZ-HOCLYGCPSA-N 0 3 279.428 2.468 20 30 CEEDHN CC[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)C(=O)NC ZINC000453407940 267198325 /nfs/dbraw/zinc/19/83/25/267198325.db2.gz PZOMWNSSUULELY-CVEARBPZSA-N 0 3 285.391 2.440 20 30 CEEDHN C#CCCNC(=O)NC1CCN(Cc2cccc(C)c2)CC1 ZINC000369287779 267232156 /nfs/dbraw/zinc/23/21/56/267232156.db2.gz KPMCBSDXPWHMIE-UHFFFAOYSA-N 0 3 299.418 2.282 20 30 CEEDHN C[C@H](C#N)Oc1ccc(CN2CCOC[C@@H](C)C2)cc1 ZINC000370181214 267296822 /nfs/dbraw/zinc/29/68/22/267296822.db2.gz FUNRMYWARCQSBK-UONOGXRCSA-N 0 3 274.364 2.446 20 30 CEEDHN Cc1cc(N2CCN(CC(C)C)CC2)c(C#N)cn1 ZINC000399627056 267339149 /nfs/dbraw/zinc/33/91/49/267339149.db2.gz DXFJOXXASZFLJP-UHFFFAOYSA-N 0 3 258.369 2.040 20 30 CEEDHN COC(=O)C[C@@H]1CC[C@@H](NCC2(C#N)CCC2)[C@@H]1C ZINC000418145481 267366676 /nfs/dbraw/zinc/36/66/76/267366676.db2.gz YFPPJYDRRJMBQO-FRRDWIJNSA-N 0 3 264.369 2.248 20 30 CEEDHN CC(C)N1CCN([C@H]2CCN(CCC(C)(C)C#N)C2)CC1 ZINC000371199089 267368724 /nfs/dbraw/zinc/36/87/24/267368724.db2.gz QZAMRGJWMPNGEE-INIZCTEOSA-N 0 3 292.471 2.027 20 30 CEEDHN Cc1cc(CN2CC[C@H](CN3CCOC3=O)C2)ccc1C#N ZINC000496339909 267993904 /nfs/dbraw/zinc/99/39/04/267993904.db2.gz GIAKBTPGVROAGY-HNNXBMFYSA-N 0 3 299.374 2.141 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@H]([C@@H](C)O)C2)cc1 ZINC000305856759 268009032 /nfs/dbraw/zinc/00/90/32/268009032.db2.gz KWOKDZRTEOVKOR-HIFRSBDPSA-N 0 3 261.365 2.454 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000376908999 268028696 /nfs/dbraw/zinc/02/86/96/268028696.db2.gz AMPKMWUJEDEZDC-OBJOEFQTSA-N 0 3 291.420 2.062 20 30 CEEDHN Cc1nn(C)c(N2CCN([C@H](C)CC(C)C)CC2)c1C#N ZINC000450819413 268091468 /nfs/dbraw/zinc/09/14/68/268091468.db2.gz FPCKGRZNEZPBOC-CYBMUJFWSA-N 0 3 289.427 2.157 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[C@H](F)C2)cc1 ZINC000360370929 268092073 /nfs/dbraw/zinc/09/20/73/268092073.db2.gz GBFKOLLXLYZGAR-ILXRZTDVSA-N 0 3 285.322 2.247 20 30 CEEDHN N#Cc1cscc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530023932 268320342 /nfs/dbraw/zinc/32/03/42/268320342.db2.gz YMQOEIWDBPRQIQ-ZDUSSCGKSA-N 0 3 289.404 2.366 20 30 CEEDHN CC(C)CN1CCN(c2ccc(F)cc2C#N)CC1 ZINC000111036633 273513246 /nfs/dbraw/zinc/51/32/46/273513246.db2.gz HSGSMHZLHIGYSZ-UHFFFAOYSA-N 0 3 261.344 2.475 20 30 CEEDHN CN1CCC(Nc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000078833093 273870481 /nfs/dbraw/zinc/87/04/81/273870481.db2.gz CGFIQMSBVRJQCI-UHFFFAOYSA-N 0 3 284.285 2.478 20 30 CEEDHN N#Cc1cnc(N2CCC[C@H]2CN2CCCC2)c(F)c1 ZINC000413246060 274929632 /nfs/dbraw/zinc/92/96/32/274929632.db2.gz GUFNIQZCYVGVMR-ZDUSSCGKSA-N 0 3 274.343 2.157 20 30 CEEDHN C#CCCN(Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000270660134 275379432 /nfs/dbraw/zinc/37/94/32/275379432.db2.gz VOOIMJFLSXLJGN-KRWDZBQOSA-N 0 3 286.419 2.233 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000155226074 275384171 /nfs/dbraw/zinc/38/41/71/275384171.db2.gz KWMLRACCXWHNQR-PMPSAXMXSA-N 0 3 284.403 2.311 20 30 CEEDHN C#CCN[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000181640450 275384331 /nfs/dbraw/zinc/38/43/31/275384331.db2.gz NKKGGXBZQWJBFC-AWEZNQCLSA-N 0 3 289.398 2.251 20 30 CEEDHN C#Cc1ccc(CN2CCOCC3(CCOCC3)C2)cc1 ZINC000279126748 275387734 /nfs/dbraw/zinc/38/77/34/275387734.db2.gz XUOALMGDPYUTIY-UHFFFAOYSA-N 0 3 285.387 2.297 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000344475261 276860575 /nfs/dbraw/zinc/86/05/75/276860575.db2.gz MRJAHWOKNHGMFQ-LXTVHRRPSA-N 0 3 296.455 2.449 20 30 CEEDHN CC(=O)NCC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000265588804 277029186 /nfs/dbraw/zinc/02/91/86/277029186.db2.gz ZGOBHYVUXCLCEL-CYBMUJFWSA-N 0 3 285.391 2.467 20 30 CEEDHN CC(C)(C)N1CC[C@@H](N2CCC(CC#N)CC2)C1=O ZINC000335123652 277152637 /nfs/dbraw/zinc/15/26/37/277152637.db2.gz USZWQOCCFPSKAE-CYBMUJFWSA-N 0 3 263.385 2.011 20 30 CEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ncccc1C#N ZINC000286250298 278901076 /nfs/dbraw/zinc/90/10/76/278901076.db2.gz FYUJLTGEUMDADF-TZMCWYRMSA-N 0 3 256.353 2.016 20 30 CEEDHN C[C@H](Cn1ccnc1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353390916 279388561 /nfs/dbraw/zinc/38/85/61/279388561.db2.gz VRTVCAPKKRWDJN-MLGOLLRUSA-N 0 3 266.348 2.420 20 30 CEEDHN C[C@H]1OCC[C@H]1NCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000330277984 280067213 /nfs/dbraw/zinc/06/72/13/280067213.db2.gz PABKEDXMFQTFIX-FDYHWXHSSA-N 0 3 254.374 2.289 20 30 CEEDHN C[C@@H]1CN(c2ncccc2C#N)CCN(C2CCC2)C1 ZINC000292423658 288280924 /nfs/dbraw/zinc/28/09/24/288280924.db2.gz WSFKQAWEHXPHOD-ZDUSSCGKSA-N 0 3 270.380 2.264 20 30 CEEDHN N#Cc1cncnc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000306746363 289275607 /nfs/dbraw/zinc/27/56/07/289275607.db2.gz IVTBQWABMYPUFA-HNNXBMFYSA-N 0 3 279.347 2.035 20 30 CEEDHN C[C@@H](NCCOC[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000537295894 298208723 /nfs/dbraw/zinc/20/87/23/298208723.db2.gz OPBHQQQTDCAKTC-CJNGLKHVSA-N 0 3 274.364 2.404 20 30 CEEDHN CN(C)[C@H](CNc1ccncc1C#N)c1ccccc1 ZINC000546653513 298355530 /nfs/dbraw/zinc/35/55/30/298355530.db2.gz IWXWSROWVWQKBY-MRXNPFEDSA-N 0 3 266.348 2.090 20 30 CEEDHN N#Cc1ccc(OCCNCc2cnn3ccccc23)cc1 ZINC000174558171 312690615 /nfs/dbraw/zinc/69/06/15/312690615.db2.gz RWPSXVZASOICOW-UHFFFAOYSA-N 0 3 292.342 2.375 20 30 CEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2cccc(C#N)c2)C1 ZINC000533194604 313364452 /nfs/dbraw/zinc/36/44/52/313364452.db2.gz XGAQUYFLKCJTFG-IRXDYDNUSA-N 0 3 297.402 2.043 20 30 CEEDHN CCC[C@@H](C)[C@H](CO)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000577757402 314411307 /nfs/dbraw/zinc/41/13/07/314411307.db2.gz WRDBRDOQABILCD-RISCZKNCSA-N 0 3 291.351 2.353 20 30 CEEDHN C=CCOCCN1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000338946577 327992962 /nfs/dbraw/zinc/99/29/62/327992962.db2.gz ZEVQNPULWCHHAT-AWEZNQCLSA-N 0 3 282.428 2.062 20 30 CEEDHN C#CC[C@H](C)NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000366310299 328003219 /nfs/dbraw/zinc/00/32/19/328003219.db2.gz DAHWHDLNNLVMSO-RDJZCZTQSA-N 0 3 299.418 2.220 20 30 CEEDHN C#CC[C@H](C)NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000366310297 328003240 /nfs/dbraw/zinc/00/32/40/328003240.db2.gz DAHWHDLNNLVMSO-DOTOQJQBSA-N 0 3 299.418 2.220 20 30 CEEDHN C=CCN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000377759124 329028190 /nfs/dbraw/zinc/02/81/90/329028190.db2.gz GTMCCVAHBJFMQT-QWHCGFSZSA-N 0 3 266.385 2.361 20 30 CEEDHN C[C@@H](C(=O)N(CCC#N)CC1CC1)N1[C@H](C)CC[C@H]1C ZINC000412186554 328105431 /nfs/dbraw/zinc/10/54/31/328105431.db2.gz ZXQBGQCQPIJPMP-MCIONIFRSA-N 0 3 277.412 2.400 20 30 CEEDHN C=CCOCC(=O)Nc1cnccc1NC(CC)CC ZINC000571342200 328113084 /nfs/dbraw/zinc/11/30/84/328113084.db2.gz BMVJIGYREHZIPP-UHFFFAOYSA-N 0 3 277.368 2.245 20 30 CEEDHN C=CCCCS(=O)(=O)Nc1cc(C)nc2c1CCCC2 ZINC000414468654 328183566 /nfs/dbraw/zinc/18/35/66/328183566.db2.gz KVQNBFZNIKKKND-UHFFFAOYSA-N 0 3 294.420 2.399 20 30 CEEDHN C[C@H](CC#N)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC000172772419 329138575 /nfs/dbraw/zinc/13/85/75/329138575.db2.gz WRMRUQJWIFMQAB-GFCCVEGCSA-N 0 3 259.353 2.122 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@H](CO)C1 ZINC000269036347 328188977 /nfs/dbraw/zinc/18/89/77/328188977.db2.gz UZKKBVSNUUEEKB-CYBMUJFWSA-N 0 3 258.365 2.302 20 30 CEEDHN C=CCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000176704694 329176167 /nfs/dbraw/zinc/17/61/67/329176167.db2.gz HKTACIKOHNLXGT-UHFFFAOYSA-N 0 3 267.398 2.007 20 30 CEEDHN C=CCCCC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000177832481 329192794 /nfs/dbraw/zinc/19/27/94/329192794.db2.gz IRQYYZBBEZQMBC-UHFFFAOYSA-N 0 3 275.396 2.328 20 30 CEEDHN CN(CCNC(=O)c1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000280601557 328235756 /nfs/dbraw/zinc/23/57/56/328235756.db2.gz OAZDEXCXNPTEEY-UHFFFAOYSA-N 0 3 285.391 2.312 20 30 CEEDHN C[S@](=O)C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000294526219 328281500 /nfs/dbraw/zinc/28/15/00/328281500.db2.gz JLOGUHDDWBUUMG-XPVILTJLSA-N 0 3 276.405 2.388 20 30 CEEDHN CCCCN(Cc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000581192315 322376759 /nfs/dbraw/zinc/37/67/59/322376759.db2.gz NWPBEVYOJIWCQQ-UHFFFAOYSA-N 0 3 269.352 2.365 20 30 CEEDHN CS[C@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1N(C)C ZINC000581258644 322382434 /nfs/dbraw/zinc/38/24/34/322382434.db2.gz GLUPDXVXAVPMIY-STQMWFEESA-N 0 3 281.450 2.097 20 30 CEEDHN C[C@]1(F)CNCCN(c2c(C#N)cnc3ccccc32)C1 ZINC000582775988 322502066 /nfs/dbraw/zinc/50/20/66/322502066.db2.gz GMLVHKGYRAMTJT-INIZCTEOSA-N 0 3 284.338 2.244 20 30 CEEDHN C#Cc1ccc(CN2CCC3(CC2)[C@H](O)C[C@@H]3OCC)cc1 ZINC000289988038 328528207 /nfs/dbraw/zinc/52/82/07/328528207.db2.gz KEKYQOFGQPENNX-MSOLQXFVSA-N 0 3 299.414 2.420 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2ccnc(N3CCCC3)c2)C1 ZINC000558426448 327093731 /nfs/dbraw/zinc/09/37/31/327093731.db2.gz JVMNUURZNGEKLR-UKRRQHHQSA-N 0 3 270.380 2.464 20 30 CEEDHN C=CCNC(=O)CNC[C@@H](c1ccccc1)C(C)C ZINC000298757474 327132778 /nfs/dbraw/zinc/13/27/78/327132778.db2.gz JJHKCSJSOKPZRA-OAHLLOKOSA-N 0 3 260.381 2.318 20 30 CEEDHN C=C(C)Cn1c(CC)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000559003296 327137867 /nfs/dbraw/zinc/13/78/67/327137867.db2.gz HQPDTTDESRPNKY-CQSZACIVSA-N 0 3 291.443 2.193 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCS2)CC1 ZINC000119949040 327296280 /nfs/dbraw/zinc/29/62/80/327296280.db2.gz HBWZJODGWUPQRM-CQSZACIVSA-N 0 3 297.468 2.222 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(C3CCC3)C2)cc1 ZINC000561096779 327365537 /nfs/dbraw/zinc/36/55/37/327365537.db2.gz GXNQZHFZDNCLCD-MRXNPFEDSA-N 0 3 293.370 2.499 20 30 CEEDHN CCOC(=O)C1CCC(NCC2(C#N)CC2)CC1 ZINC000562384501 327477276 /nfs/dbraw/zinc/47/72/76/327477276.db2.gz PVELVVGNMOVKSD-UHFFFAOYSA-N 0 3 250.342 2.002 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC(C)(c2nc(C)no2)CC1 ZINC000378586031 329055382 /nfs/dbraw/zinc/05/53/82/329055382.db2.gz XVVIFJVUOAAGGS-CYBMUJFWSA-N 0 3 279.384 2.059 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccccc2OC)CC1 ZINC000171724862 329079259 /nfs/dbraw/zinc/07/92/59/329079259.db2.gz QVVPCNMNDDWREO-UHFFFAOYSA-N 0 3 274.364 2.075 20 30 CEEDHN C=CCN1CCC(NC(=O)CCCCSC)CC1 ZINC000172542850 329137184 /nfs/dbraw/zinc/13/71/84/329137184.db2.gz ODJICWWPNGYEOL-UHFFFAOYSA-N 0 3 270.442 2.286 20 30 CEEDHN C=CCOCCCC(=O)N1CCN(C2CCCC2)CC1 ZINC000173341888 329146267 /nfs/dbraw/zinc/14/62/67/329146267.db2.gz HFAQSUFXOJNZNX-UHFFFAOYSA-N 0 3 280.412 2.056 20 30 CEEDHN C#CCCCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000176667927 329177890 /nfs/dbraw/zinc/17/78/90/329177890.db2.gz UXFDDKJEOXRHOZ-RDJZCZTQSA-N 0 3 299.418 2.362 20 30 CEEDHN CC[C@@H](C)CN(CC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000177853271 329192990 /nfs/dbraw/zinc/19/29/90/329192990.db2.gz WGZMXUYGDILOFN-HIFRSBDPSA-N 0 3 267.417 2.409 20 30 CEEDHN C=CCCCC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000178522844 329197646 /nfs/dbraw/zinc/19/76/46/329197646.db2.gz PLZRCQAXIWZWDJ-ZIAGYGMSSA-N 0 3 250.386 2.285 20 30 CEEDHN CC(C)(CCC#N)CN1CCN(CC2CCOCC2)CC1 ZINC000179628826 329210750 /nfs/dbraw/zinc/21/07/50/329210750.db2.gz JAEWDIGLBWSQSM-UHFFFAOYSA-N 0 3 293.455 2.361 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(SC)c(OC)c1 ZINC000184282586 329258704 /nfs/dbraw/zinc/25/87/04/329258704.db2.gz LAKGXFMTKRZCGJ-GFCCVEGCSA-N 0 3 267.394 2.444 20 30 CEEDHN N#CCCCCN[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185918577 329332643 /nfs/dbraw/zinc/33/26/43/329332643.db2.gz NZJLDZCWFLEEND-CYBMUJFWSA-N 0 3 279.771 2.020 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000248830194 329900284 /nfs/dbraw/zinc/90/02/84/329900284.db2.gz HDLWQAALWWRNMK-XTBFLFJDSA-N 0 3 256.349 2.317 20 30 CEEDHN C=CCC[C@H](C)Nc1ccc(N2CCNCC2)cn1 ZINC000423230427 330180704 /nfs/dbraw/zinc/18/07/04/330180704.db2.gz JGQXEKDPDBCFIP-ZDUSSCGKSA-N 0 3 260.385 2.258 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000136247377 330212946 /nfs/dbraw/zinc/21/29/46/330212946.db2.gz JLIWHODIFVEFPG-HIFRSBDPSA-N 0 3 263.385 2.013 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000424061326 330218919 /nfs/dbraw/zinc/21/89/19/330218919.db2.gz FICPFSLUFDVEKA-JTQLQIEISA-N 0 3 292.408 2.372 20 30 CEEDHN CCOc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1OC ZINC000424065448 330219376 /nfs/dbraw/zinc/21/93/76/330219376.db2.gz LQVHQLRDDIDPGA-LBPRGKRZSA-N 0 3 291.351 2.054 20 30 CEEDHN CCn1c2ccccc2nc1NC(=O)[C@H](N)CCCC#N ZINC000424076153 330220823 /nfs/dbraw/zinc/22/08/23/330220823.db2.gz LIZWVBLABOXNTC-LLVKDONJSA-N 0 3 285.351 2.016 20 30 CEEDHN CCOc1ccccc1CN(C)C(=O)[C@@H](N)CCCC#N ZINC000424092686 330226035 /nfs/dbraw/zinc/22/60/35/330226035.db2.gz PJMGLUCQSFPLKC-AWEZNQCLSA-N 0 3 289.379 2.065 20 30 CEEDHN CCCCCN(C(=O)[C@@H](N)CCCC#N)C(C)C ZINC000424093452 330226209 /nfs/dbraw/zinc/22/62/09/330226209.db2.gz RZKVBNKOKCRVNI-ZDUSSCGKSA-N 0 3 253.390 2.435 20 30 CEEDHN CCC1CCC(CNC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424099292 330231479 /nfs/dbraw/zinc/23/14/79/330231479.db2.gz IXYBKGJERBOUPR-RUXDESIVSA-N 0 3 265.401 2.340 20 30 CEEDHN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)[C@@H](N)CCCC#N ZINC000424122257 330254225 /nfs/dbraw/zinc/25/42/25/330254225.db2.gz IQYPVLSAZZRWHG-OIISXLGYSA-N 0 3 299.418 2.487 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(-c2cncnc2)cc1 ZINC000424123254 330255410 /nfs/dbraw/zinc/25/54/10/330255410.db2.gz KRKSOCCKLXZWDY-HNNXBMFYSA-N 0 3 295.346 2.103 20 30 CEEDHN C[C@@H](CNC(=O)[C@H](N)CCCC#N)Sc1ccccc1 ZINC000424124203 330256794 /nfs/dbraw/zinc/25/67/94/330256794.db2.gz MBJFAYWVDVSQRE-GXTWGEPZSA-N 0 3 291.420 2.305 20 30 CEEDHN CC(C)(NC(=O)[C@@H](N)CCCC#N)c1cccs1 ZINC000424124891 330257756 /nfs/dbraw/zinc/25/77/56/330257756.db2.gz NARZHXNWEXEEAD-JTQLQIEISA-N 0 3 265.382 2.121 20 30 CEEDHN CC1(C)CCCC[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000424130081 330260655 /nfs/dbraw/zinc/26/06/55/330260655.db2.gz SSIVWWDGMGIPEH-NEPJUHHUSA-N 0 3 251.374 2.093 20 30 CEEDHN CC(C)(NC(=O)[C@H](N)CCCC#N)c1cccc(F)c1 ZINC000424135888 330270766 /nfs/dbraw/zinc/27/07/66/330270766.db2.gz ZZBXWUAKIHMTEG-CYBMUJFWSA-N 0 3 277.343 2.198 20 30 CEEDHN Cc1cnc([C@@H](NC(=O)[C@H](N)CCCC#N)C2CC2)s1 ZINC000424136759 330272608 /nfs/dbraw/zinc/27/26/08/330272608.db2.gz BFATYRULYAWLTQ-NEPJUHHUSA-N 0 3 292.408 2.040 20 30 CEEDHN CCS[C@@H]1CCC[C@@H](NC(=O)[C@H](N)CCCC#N)C1 ZINC000424149672 330295774 /nfs/dbraw/zinc/29/57/74/330295774.db2.gz HOKMNANOSHDNQW-JHJVBQTASA-N 0 3 283.441 2.188 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(C(F)(F)F)n[nH]1 ZINC000424169789 330312085 /nfs/dbraw/zinc/31/20/85/330312085.db2.gz IWMPJQASRHCKRE-WPRPVWTQSA-N 0 3 275.274 2.109 20 30 CEEDHN CC[C@H](c1ccncc1)N(CC)C(=O)[C@@H](N)CCCC#N ZINC000424184566 330320196 /nfs/dbraw/zinc/32/01/96/330320196.db2.gz XXGDDHGGKCTROG-LSDHHAIUSA-N 0 3 288.395 2.402 20 30 CEEDHN C[C@H]1CCN(C(=O)[C@H](N)CCCC#N)c2c(O)cccc21 ZINC000424185097 330320310 /nfs/dbraw/zinc/32/03/10/330320310.db2.gz FHRHLJVRVTZUCQ-WCQYABFASA-N 0 3 287.363 2.254 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CC2(CCC2)c2ccccc21 ZINC000424191464 330323767 /nfs/dbraw/zinc/32/37/67/330323767.db2.gz RATRUSYWOMWWBX-CQSZACIVSA-N 0 3 283.375 2.476 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1OCCC(C)C ZINC000436263217 330672088 /nfs/dbraw/zinc/67/20/88/330672088.db2.gz UBRUYFVQHNIKEF-HUUCEWRRSA-N 0 3 282.428 2.252 20 30 CEEDHN Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1S(C)(=O)=O ZINC000442868504 330788846 /nfs/dbraw/zinc/78/88/46/330788846.db2.gz CJSBCYFYZLFPTM-JSGCOSHPSA-N 0 3 292.404 2.180 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(OC)ccc1F ZINC000449518454 330933198 /nfs/dbraw/zinc/93/31/98/330933198.db2.gz KATLGJLJRUJPGM-KGLIPLIRSA-N 0 3 251.301 2.267 20 30 CEEDHN C=CCN(CCOC)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450835817 331001875 /nfs/dbraw/zinc/00/18/75/331001875.db2.gz HZPQXLCCWYEYFE-GOEBONIOSA-N 0 3 263.381 2.285 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1CCO ZINC000451053831 331013645 /nfs/dbraw/zinc/01/36/45/331013645.db2.gz FTALWKOSFIPWHR-HZPDHXFCSA-N 0 3 286.375 2.132 20 30 CEEDHN CC[C@@H](CO)N(C)CC#Cc1ccccc1Cl ZINC000451159005 331018093 /nfs/dbraw/zinc/01/80/93/331018093.db2.gz OISUARDAWBQUHL-ZDUSSCGKSA-N 0 3 251.757 2.394 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@H]1C[C@@H](OCC)C12CCC2 ZINC000451473581 331030785 /nfs/dbraw/zinc/03/07/85/331030785.db2.gz OQGNPTNRWXSBBD-LSDHHAIUSA-N 0 3 294.439 2.348 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN[C@@H]1CCC12CCCC2)C1CC1 ZINC000451473706 331030822 /nfs/dbraw/zinc/03/08/22/331030822.db2.gz XCRIAWJNIJYXAF-HIFRSBDPSA-N 0 3 275.396 2.107 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ncc(C)c(OC)c1C ZINC000451606659 331036421 /nfs/dbraw/zinc/03/64/21/331036421.db2.gz NNQCFIGPGHVAFM-OCCSQVGLSA-N 0 3 262.353 2.140 20 30 CEEDHN CC[C@@H]1CC[C@H](C)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000451968128 331048654 /nfs/dbraw/zinc/04/86/54/331048654.db2.gz OQDFBHDSQKZOMU-ZENOOKHLSA-N 0 3 277.412 2.305 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CCN(C2CC2)C[C@@H](C)C1)OCC ZINC000452173581 331057158 /nfs/dbraw/zinc/05/71/58/331057158.db2.gz NJUOBXZTLIIVJL-ZBFHGGJFSA-N 0 3 294.439 2.300 20 30 CEEDHN C[C@@H](C(=O)N[C@H]1CC[C@@H](CC#N)C1)N1[C@H](C)CC[C@H]1C ZINC000452560540 331068996 /nfs/dbraw/zinc/06/89/96/331068996.db2.gz FAQLSJGEXQWQPM-MRLBHPIUSA-N 0 3 277.412 2.446 20 30 CEEDHN COC[C@@H](CNC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000452759634 331075129 /nfs/dbraw/zinc/07/51/29/331075129.db2.gz UNQXDVSWGDYPPE-CMPLNLGQSA-N 0 3 280.755 2.346 20 30 CEEDHN C=C(CC)CN[C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000453342169 331119480 /nfs/dbraw/zinc/11/94/80/331119480.db2.gz CVCUKFXZXRILNM-OAHLLOKOSA-N 0 3 294.420 2.267 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000453351039 331120657 /nfs/dbraw/zinc/12/06/57/331120657.db2.gz JALFIYUJMIKVHD-WLSFQCJRSA-N 0 3 279.405 2.418 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](CC3CC3)C2)CC1 ZINC000454552926 331148734 /nfs/dbraw/zinc/14/87/34/331148734.db2.gz UPMBHGFLLRSHII-HNNXBMFYSA-N 0 3 291.439 2.468 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000457234024 331216798 /nfs/dbraw/zinc/21/67/98/331216798.db2.gz IMPRAWKFSYYWMA-UHFFFAOYSA-N 0 3 285.391 2.312 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000458335366 331249343 /nfs/dbraw/zinc/24/93/43/331249343.db2.gz OMIFTINFTARWAQ-VHDGCEQUSA-N 0 3 277.412 2.125 20 30 CEEDHN CCN1C[C@@H](C)N(CCCSCC#N)[C@@H](C)C1 ZINC000459451069 331281779 /nfs/dbraw/zinc/28/17/79/331281779.db2.gz ABMQFYLSZBDBNQ-BETUJISGSA-N 0 3 255.431 2.048 20 30 CEEDHN C[C@@H]1[C@@H](CO)CCN1CC#Cc1ccc(Cl)cc1 ZINC000488768877 332024674 /nfs/dbraw/zinc/02/46/74/332024674.db2.gz XUXDYMXHFRTLPB-TZMCWYRMSA-N 0 3 263.768 2.394 20 30 CEEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)NCCCCC#N)C[C@@H](C)C1 ZINC000488848076 332029186 /nfs/dbraw/zinc/02/91/86/332029186.db2.gz DGARIXANFJQRBJ-RRFJBIMHSA-N 0 3 292.427 2.052 20 30 CEEDHN C=CCN(C)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000488902173 332033008 /nfs/dbraw/zinc/03/30/08/332033008.db2.gz OIWBROZZBRHQEL-CHWSQXEVSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCCCS(=O)(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000489134493 332042145 /nfs/dbraw/zinc/04/21/45/332042145.db2.gz UYJUZAFOYYAFIE-KBPBESRZSA-N 0 3 288.457 2.135 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)C1(C)CCCC1 ZINC000489894080 332072120 /nfs/dbraw/zinc/07/21/20/332072120.db2.gz ZJWNNCCUBDPLHF-OAHLLOKOSA-N 0 3 265.401 2.305 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)NCC(C)(C)CCC#N ZINC000489920393 332073025 /nfs/dbraw/zinc/07/30/25/332073025.db2.gz BQQZOSYAGJHYSH-STQMWFEESA-N 0 3 265.401 2.305 20 30 CEEDHN CC(C)Oc1ccc([C@H](CNC(=O)CC#N)N(C)C)cc1 ZINC000489956577 332074257 /nfs/dbraw/zinc/07/42/57/332074257.db2.gz AZKIQWVRLWIXDD-HNNXBMFYSA-N 0 3 289.379 2.106 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000490015929 332076899 /nfs/dbraw/zinc/07/68/99/332076899.db2.gz JOMBITAKIZUXCH-MRXNPFEDSA-N 0 3 290.411 2.113 20 30 CEEDHN CC(C#N)C(=O)N1CCC(Cc2ccccc2CO)CC1 ZINC000490382705 332088024 /nfs/dbraw/zinc/08/80/24/332088024.db2.gz LNVMXMRHIXPLDE-ZDUSSCGKSA-N 0 3 286.375 2.120 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000490635196 332098170 /nfs/dbraw/zinc/09/81/70/332098170.db2.gz FARQFDQWSQJNRO-KBXCAEBGSA-N 0 3 296.414 2.381 20 30 CEEDHN C#CCN(CC)Cc1cn(-c2ccncc2)nc1C ZINC000490947800 332131840 /nfs/dbraw/zinc/13/18/40/332131840.db2.gz ARSRQYCERLHKAZ-UHFFFAOYSA-N 0 3 254.337 2.031 20 30 CEEDHN C#CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000491193408 332163641 /nfs/dbraw/zinc/16/36/41/332163641.db2.gz YXQWOSXMGOEWFO-WBVHZDCISA-N 0 3 299.418 2.314 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](CCC)c1ccccn1 ZINC000491229592 332170218 /nfs/dbraw/zinc/17/02/18/332170218.db2.gz IKMZPFNOMADEAG-HNNXBMFYSA-N 0 3 287.407 2.037 20 30 CEEDHN C#CCN(C)CCCc1nc(-c2cccs2)no1 ZINC000491315213 332188540 /nfs/dbraw/zinc/18/85/40/332188540.db2.gz LRMKAFURHPXYTC-UHFFFAOYSA-N 0 3 261.350 2.296 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000491373058 332199197 /nfs/dbraw/zinc/19/91/97/332199197.db2.gz LTRYBNQKZHQFMK-WBVHZDCISA-N 0 3 299.418 2.344 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000491473618 332217856 /nfs/dbraw/zinc/21/78/56/332217856.db2.gz GCMWTFFMCBDUAJ-ZDUSSCGKSA-N 0 3 289.379 2.112 20 30 CEEDHN C#C[C@@H](C)N(C)Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000491474768 332218335 /nfs/dbraw/zinc/21/83/35/332218335.db2.gz PVNMRYLJMVCKMF-CABCVRRESA-N 0 3 272.392 2.365 20 30 CEEDHN C#C[C@H](C)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000491543817 332234029 /nfs/dbraw/zinc/23/40/29/332234029.db2.gz IRADVWZFIOTXAT-LBPRGKRZSA-N 0 3 289.335 2.185 20 30 CEEDHN C#C[C@H](CCC)NC(=O)[C@@H]1CCCCN1C(C)C ZINC000491629695 332252484 /nfs/dbraw/zinc/25/24/84/332252484.db2.gz MFRSJRZXTZCEHZ-KGLIPLIRSA-N 0 3 250.386 2.167 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)/C=C/CN(C)C ZINC000491646424 332263824 /nfs/dbraw/zinc/26/38/24/332263824.db2.gz UWOXRMOFSMGCNI-VMPITWQZSA-N 0 3 264.394 2.381 20 30 CEEDHN C#C[C@H](C)N(C)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000491650714 332264484 /nfs/dbraw/zinc/26/44/84/332264484.db2.gz BIDGYQIEPVZWSF-XEZPLFJOSA-N 0 3 278.396 2.197 20 30 CEEDHN CN(C)C/C=C\C(=O)Nc1cccc(OCCCC#N)c1 ZINC000491687720 332286043 /nfs/dbraw/zinc/28/60/43/332286043.db2.gz XJJRELRJIGCHGV-TWGQIWQCSA-N 0 3 287.363 2.425 20 30 CEEDHN C#CCN(CCC(=O)Nc1ccc(N(C)C)cc1)C1CC1 ZINC000491711889 332303425 /nfs/dbraw/zinc/30/34/25/332303425.db2.gz XCJBSKROCQJNOA-UHFFFAOYSA-N 0 3 285.391 2.179 20 30 CEEDHN C#CCN(C)CCCNC(=O)C(C)(C)CC(C)C ZINC000491730325 332312329 /nfs/dbraw/zinc/31/23/29/332312329.db2.gz OZRIJIKHRNIHGK-UHFFFAOYSA-N 0 3 252.402 2.130 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000491748540 332325432 /nfs/dbraw/zinc/32/54/32/332325432.db2.gz ORDHNJZMCLFHCD-XJKSGUPXSA-N 0 3 287.407 2.473 20 30 CEEDHN C#C[C@@H](NC[C@@H](O)COc1cccc2[nH]ccc21)C(C)C ZINC000491775226 332340993 /nfs/dbraw/zinc/34/09/93/332340993.db2.gz XEOWSEVLWGAEAV-UKRRQHHQSA-N 0 3 286.375 2.155 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC000491813841 332365594 /nfs/dbraw/zinc/36/55/94/332365594.db2.gz QXTRSOPUVMKKEF-GFCCVEGCSA-N 0 3 294.345 2.140 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC000177348524 333057633 /nfs/dbraw/zinc/05/76/33/333057633.db2.gz KMLCWMBENXKFOZ-HIFRSBDPSA-N 0 3 250.386 2.189 20 30 CEEDHN C[C@H](C#N)CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000517685323 333105739 /nfs/dbraw/zinc/10/57/39/333105739.db2.gz FWUGZKRJSCFYLX-CQSZACIVSA-N 0 3 285.391 2.174 20 30 CEEDHN Cc1cccc(C)c1OC[C@@H](O)CNCC1(CC#N)CC1 ZINC000521614583 333180053 /nfs/dbraw/zinc/18/00/53/333180053.db2.gz WIJZYPVVYXPNBY-HNNXBMFYSA-N 0 3 288.391 2.327 20 30 CEEDHN C[C@H](CC#N)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000194635493 333274095 /nfs/dbraw/zinc/27/40/95/333274095.db2.gz PEXUJKOSBVFRLK-CYBMUJFWSA-N 0 3 271.364 2.314 20 30 CEEDHN C=CCCN1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000524811596 333389235 /nfs/dbraw/zinc/38/92/35/333389235.db2.gz PDCRMUHMHZHAIZ-UHFFFAOYSA-N 0 3 288.391 2.152 20 30 CEEDHN C[C@@H]1OCC[C@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000134238860 334085015 /nfs/dbraw/zinc/08/50/15/334085015.db2.gz QQLKHQGPSQVVEF-LKGAJIBZSA-N 0 3 256.349 2.377 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000547393899 334085403 /nfs/dbraw/zinc/08/54/03/334085403.db2.gz HOMHEMCVQHOJPK-VXGBXAGGSA-N 0 3 264.325 2.491 20 30 CEEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000246208735 334241043 /nfs/dbraw/zinc/24/10/43/334241043.db2.gz XFRZAPJAONAHSI-CXUGXGMPSA-N 0 3 289.423 2.448 20 30 CEEDHN C[C@@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H](C)C1 ZINC000246731777 334268389 /nfs/dbraw/zinc/26/83/89/334268389.db2.gz OUATXPBOUOEUTN-WWGRRREGSA-N 0 3 277.412 2.163 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000249518577 334335373 /nfs/dbraw/zinc/33/53/73/334335373.db2.gz IVQYNEILOWVNHM-HUUCEWRRSA-N 0 3 279.428 2.490 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCC(OC[C@@H]3CCOC3)CC2)C1 ZINC000555417819 334476920 /nfs/dbraw/zinc/47/69/20/334476920.db2.gz OYTQKBSDPMFPNM-RBSFLKMASA-N 0 3 278.396 2.196 20 30 CEEDHN N#CCCCNC[C@H](O)COc1cccc2ccccc21 ZINC000569232723 334862530 /nfs/dbraw/zinc/86/25/30/334862530.db2.gz KRRFUIFZKUZHQU-HNNXBMFYSA-N 0 3 284.359 2.473 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](CC)[C@@H]1CCCO1 ZINC000182362397 335813330 /nfs/dbraw/zinc/81/33/30/335813330.db2.gz OBKKPTONHLVYPR-ZNMIVQPWSA-N 0 3 282.428 2.347 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000580875622 335978012 /nfs/dbraw/zinc/97/80/12/335978012.db2.gz HGLKNJCIXZRFDE-GDLCADMTSA-N 0 3 288.347 2.012 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2ccnn2CC(C)C)nc(C)n1 ZINC000581369134 336062849 /nfs/dbraw/zinc/06/28/49/336062849.db2.gz GVXGHJFCLIOXDD-CYBMUJFWSA-N 0 3 297.362 2.436 20 30 CEEDHN CCC[C@H](CNCc1cnc2ccc(C#N)cn12)OC ZINC000449376010 500673499 /nfs/dbraw/zinc/67/34/99/500673499.db2.gz KMUKANBRLISTID-CQSZACIVSA-N 0 3 272.352 2.111 20 30 CEEDHN Cc1ccc(C2CCN(C(=O)C(C)C#N)CC2)cn1 ZINC000335988688 533739710 /nfs/dbraw/zinc/73/97/10/533739710.db2.gz XUBPGNMQLJJWJS-LLVKDONJSA-N 0 3 257.337 2.256 20 30 CEEDHN COc1cc(F)c([C@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347104960 533991472 /nfs/dbraw/zinc/99/14/72/533991472.db2.gz KQTJQDXUXSBZIA-BDAKNGLRSA-N 0 3 280.299 2.180 20 30 CEEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)[C@@H](O)CC ZINC000313174017 535805685 /nfs/dbraw/zinc/80/56/85/535805685.db2.gz YLPSIBNDJGWNBW-KGLIPLIRSA-N 0 3 262.353 2.206 20 30 CEEDHN CC(C#N)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000347073216 534283350 /nfs/dbraw/zinc/28/33/50/534283350.db2.gz BCNHFZJYTAXHKS-MRVPVSSYSA-N 0 3 290.710 2.166 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000347035782 534284541 /nfs/dbraw/zinc/28/45/41/534284541.db2.gz LHMQDORVAIPSNX-IUODEOHRSA-N 0 3 265.316 2.447 20 30 CEEDHN C=CCC[C@H](C(=O)NCCN(C)C)c1ccccc1 ZINC000187304157 518720809 /nfs/dbraw/zinc/72/08/09/518720809.db2.gz CFHKDXGDTBRQDH-HNNXBMFYSA-N 0 3 260.381 2.414 20 30 CEEDHN N#CC1(CNC(=O)[C@@H]2CCCN2C2CCCC2)CCC1 ZINC000333159177 534555624 /nfs/dbraw/zinc/55/56/24/534555624.db2.gz LPHRVPJMQBASFP-AWEZNQCLSA-N 0 3 275.396 2.203 20 30 CEEDHN COc1ccc(CN2CCCC[C@@H](CO)C2)cc1C#N ZINC000370874209 524025401 /nfs/dbraw/zinc/02/54/01/524025401.db2.gz YRMRLPHWRNCOGX-CQSZACIVSA-N 0 3 274.364 2.161 20 30 CEEDHN C=CCN1CCC(NC(=O)CCCC(F)(F)F)CC1 ZINC000356012402 526420534 /nfs/dbraw/zinc/42/05/34/526420534.db2.gz CMYJDSFXBHAZSK-UHFFFAOYSA-N 0 3 278.318 2.486 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC2(C)C)CC1 ZINC000345028523 526437636 /nfs/dbraw/zinc/43/76/36/526437636.db2.gz LWAAUBCYEPPJKK-CYBMUJFWSA-N 0 3 265.401 2.125 20 30 CEEDHN C=CCN1CC[C@H](N2CCSC3(CCC3)CC2)C1=O ZINC000334732708 526512085 /nfs/dbraw/zinc/51/20/85/526512085.db2.gz ORDDCZIKSQDYJF-ZDUSSCGKSA-N 0 3 280.437 2.135 20 30 CEEDHN C=CCN1CC[C@H](N[C@@H]2C[C@@H](OCC)C23CCCC3)C1=O ZINC000352810942 526513921 /nfs/dbraw/zinc/51/39/21/526513921.db2.gz QJDXVOKISZZVEH-RRFJBIMHSA-N 0 3 292.423 2.101 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@@H]2C)CC1 ZINC000344742679 526593572 /nfs/dbraw/zinc/59/35/72/526593572.db2.gz QSBBTCMITAJNGQ-GXTWGEPZSA-N 0 3 265.401 2.125 20 30 CEEDHN N#Cc1ccc(CN[C@H](CO)C2CCCC2)c(F)c1 ZINC000289575579 526626070 /nfs/dbraw/zinc/62/60/70/526626070.db2.gz PXZKPGHDAZTEKF-OAHLLOKOSA-N 0 3 262.328 2.338 20 30 CEEDHN N#Cc1cccc(Cl)c1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000364862578 526713712 /nfs/dbraw/zinc/71/37/12/526713712.db2.gz HWCHIKBHIVOKEB-CHWSQXEVSA-N 0 3 291.782 2.487 20 30 CEEDHN C=CCOc1ccc(CN[C@](C)(CCO)COC)cc1 ZINC000344601189 526890274 /nfs/dbraw/zinc/89/02/74/526890274.db2.gz HJFRTVQPKUPOSD-MRXNPFEDSA-N 0 3 279.380 2.129 20 30 CEEDHN CC(C)(CCC#N)CN[C@@H](Cc1ccccc1)C(N)=O ZINC000352249597 526999996 /nfs/dbraw/zinc/99/99/96/526999996.db2.gz KNJBXFKFKRIXIN-AWEZNQCLSA-N 0 3 273.380 2.003 20 30 CEEDHN C#CCOc1ccc(CN[C@H](CC)[C@@H](O)C(F)F)cc1 ZINC000295064151 527106739 /nfs/dbraw/zinc/10/67/39/527106739.db2.gz OPDWOCQJOZWKDA-ZIAGYGMSSA-N 0 3 283.318 2.193 20 30 CEEDHN C=CCn1c(N2CCCN(CC)CC2)nnc1C(C)(C)C ZINC000350729030 527330220 /nfs/dbraw/zinc/33/02/20/527330220.db2.gz IAKIHHUHEPRLGF-UHFFFAOYSA-N 0 3 291.443 2.294 20 30 CEEDHN C=CCC[C@H](NC[C@H](O)[C@H]1CCOC1)c1ccco1 ZINC000353632177 527485402 /nfs/dbraw/zinc/48/54/02/527485402.db2.gz NUYCSDGWDKDEAK-IHRRRGAJSA-N 0 3 265.353 2.274 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000347160096 527522271 /nfs/dbraw/zinc/52/22/71/527522271.db2.gz MVNGQWXCHMGQFC-HOCLYGCPSA-N 0 3 282.428 2.206 20 30 CEEDHN CCOc1ccc2c(c1)CCN(C(=O)C(C)C#N)C2 ZINC000334640819 528616907 /nfs/dbraw/zinc/61/69/07/528616907.db2.gz HFSMFEMPBDLHOU-NSHDSACASA-N 0 3 258.321 2.130 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)NCC(C)(C)C#N ZINC000353553361 529272263 /nfs/dbraw/zinc/27/22/63/529272263.db2.gz RSTKHJLWUKBTJU-CYBMUJFWSA-N 0 3 280.416 2.100 20 30 CEEDHN C#CCOCCN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000753767867 574515649 /nfs/dbraw/zinc/51/56/49/574515649.db2.gz MTDDMDRXNDQDRS-LBPRGKRZSA-N 0 3 293.363 2.013 20 30 CEEDHN C#CCCCC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000760297906 574517758 /nfs/dbraw/zinc/51/77/58/574517758.db2.gz QSXRWZIYCVUQAM-ZIAGYGMSSA-N 0 3 250.386 2.169 20 30 CEEDHN C=CCN1CCC(NC(=O)CCc2csc(C)n2)CC1 ZINC000733151642 574646572 /nfs/dbraw/zinc/64/65/72/574646572.db2.gz KBYLZVILJOUTBB-UHFFFAOYSA-N 0 3 293.436 2.151 20 30 CEEDHN 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CEEDHN C#CCCN1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000740736117 574967269 /nfs/dbraw/zinc/96/72/69/574967269.db2.gz FFAIQZSNNDFBHY-UHFFFAOYSA-N 0 3 274.364 2.114 20 30 CEEDHN C=CCN1CCC(Nc2nccc(N3CCCC3)n2)CC1 ZINC000742403908 575020181 /nfs/dbraw/zinc/02/01/81/575020181.db2.gz JFGGLHVVWAFHDF-UHFFFAOYSA-N 0 3 287.411 2.139 20 30 CEEDHN C#CCCN1CCC(NC(=O)CCCc2ccccn2)CC1 ZINC000743491654 575105295 /nfs/dbraw/zinc/10/52/95/575105295.db2.gz JXMWFDNAIPICPL-UHFFFAOYSA-N 0 3 299.418 2.008 20 30 CEEDHN C#CCCN1CCC(NC(=O)[C@H](C)c2cccs2)CC1 ZINC000743492590 575105445 /nfs/dbraw/zinc/10/54/45/575105445.db2.gz WMQWLHHDQLWYLD-CYBMUJFWSA-N 0 3 290.432 2.456 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@@H](SC)C2)CC1 ZINC000743626797 575107736 /nfs/dbraw/zinc/10/77/36/575107736.db2.gz NKNBRILRRCKBGN-ZIAGYGMSSA-N 0 3 297.468 2.220 20 30 CEEDHN N#CC(C(=O)CCC(F)(F)F)C(=O)NCc1ccccc1 ZINC000744026886 575112447 /nfs/dbraw/zinc/11/24/47/575112447.db2.gz APKLETIUIYIAEA-NSHDSACASA-N 0 3 298.264 2.354 20 30 CEEDHN 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CEEDHN C=CCN1CC[C@@H](NC(=O)[C@H]2CCC2(F)F)C(C)(C)C1 ZINC000940831020 613746415 /nfs/dbraw/zinc/74/64/15/613746415.db2.gz CEOGXMABFYPZCB-VXGBXAGGSA-N 0 3 286.366 2.434 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2c[nH]c3ncccc23)[C@@H](C)C1 ZINC000944992752 613748175 /nfs/dbraw/zinc/74/81/75/613748175.db2.gz CGNLKZKBFINVPR-SWLSCSKDSA-N 0 3 298.390 2.189 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C3CC3)on2)[C@H](C)C1 ZINC000942542394 613750216 /nfs/dbraw/zinc/75/02/16/613750216.db2.gz DZEDUOHBJYKAKF-DGCLKSJQSA-N 0 3 289.379 2.178 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc3nccn3c2)C[C@H]1C ZINC000947916061 613753188 /nfs/dbraw/zinc/75/31/88/613753188.db2.gz KVAYGVGQCYYNIO-UKRRQHHQSA-N 0 3 298.390 2.103 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(C(F)F)c2)C[C@@H]1C ZINC000947861444 613759080 /nfs/dbraw/zinc/75/90/80/613759080.db2.gz MFPCKAMVYDYXOM-CMPLNLGQSA-N 0 3 298.337 2.047 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2conc2C(C)C)[C@@H](C)C1 ZINC000942124789 613760414 /nfs/dbraw/zinc/76/04/14/613760414.db2.gz 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C=CCN1CC[C@H](NC(=O)c2ncc(Cl)s2)[C@H](C)C1 ZINC000942487400 613800037 /nfs/dbraw/zinc/80/00/37/613800037.db2.gz UOGCWHQHDNENNI-ZJUUUORDSA-N 0 3 299.827 2.423 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ncoc2C(C)C)[C@@H](C)C1 ZINC000944033128 613800944 /nfs/dbraw/zinc/80/09/44/613800944.db2.gz IXJHQZTWARSJGL-STQMWFEESA-N 0 3 291.395 2.424 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2sccc2OC)[C@@H](C)C1 ZINC000944241376 613801884 /nfs/dbraw/zinc/80/18/84/613801884.db2.gz IXXKZGVRCPXZCA-RYUDHWBXSA-N 0 3 294.420 2.383 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000962012659 613839491 /nfs/dbraw/zinc/83/94/91/613839491.db2.gz UJBDMYCFAILAEF-IGKNDFSCSA-N 0 3 296.414 2.331 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)c1cccs1 ZINC000961745234 613840068 /nfs/dbraw/zinc/84/00/68/613840068.db2.gz QPGRCMOCMVYURR-NMKXLXIOSA-N 0 3 276.405 2.084 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(F)cc(C)cc1F ZINC000960979239 613840863 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CC(C)CN1CCN(C(=O)/C=C\c2ccccc2C#N)CC1 ZINC000255072534 623067546 /nfs/dbraw/zinc/06/75/46/623067546.db2.gz FFCGPXCDUMMJPL-FPLPWBNLSA-N 0 3 297.402 2.372 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C(C)(C)F)C1 ZINC001021500213 623235489 /nfs/dbraw/zinc/23/54/89/623235489.db2.gz UEKGLKHMBDANDK-ZIAGYGMSSA-N 0 3 280.387 2.071 20 30 CEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)/C=C/c2ccco2)C1 ZINC001021504850 623237797 /nfs/dbraw/zinc/23/77/97/623237797.db2.gz FXPJJKNRPZMJJR-FKDHNMLASA-N 0 3 298.386 2.239 20 30 CEEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC2(C)CC2)C1 ZINC001021639211 623363332 /nfs/dbraw/zinc/36/33/32/623363332.db2.gz MPBPEDGIYAOLGQ-CABCVRRESA-N 0 3 274.408 2.123 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2oncc2C)C1 ZINC001021704952 623419209 /nfs/dbraw/zinc/41/92/09/623419209.db2.gz WKMGWGNOVISBSU-UONOGXRCSA-N 0 3 289.379 2.096 20 30 CEEDHN C#CCC1(NCC(=O)Nc2ccccc2C)CCC1 ZINC000933304088 623631410 /nfs/dbraw/zinc/63/14/10/623631410.db2.gz YQACHOMXBKFMPT-UHFFFAOYSA-N 0 3 256.349 2.469 20 30 CEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001024571473 625667351 /nfs/dbraw/zinc/66/73/51/625667351.db2.gz FRJULBLYEHKQPV-MRXNPFEDSA-N 0 3 299.418 2.306 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC000892500885 625693748 /nfs/dbraw/zinc/69/37/48/625693748.db2.gz GBYUGJLSNOPQGL-JKIFEVAISA-N 0 3 284.359 2.198 20 30 CEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cocc1C ZINC001024604512 625707703 /nfs/dbraw/zinc/70/77/03/625707703.db2.gz MXNXKSVYGQUADK-CQSZACIVSA-N 0 3 274.364 2.196 20 30 CEEDHN N#Cc1ccc(CN2CCCCCNC(=O)CC2)c(F)c1 ZINC000934162830 624275758 /nfs/dbraw/zinc/27/57/58/624275758.db2.gz IGTOOYFTTRFHBQ-UHFFFAOYSA-N 0 3 289.354 2.190 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H](F)C2)C1 ZINC001022607115 624314669 /nfs/dbraw/zinc/31/46/69/624314669.db2.gz UJZIBWANKVBNBW-KKOKHZNYSA-N 0 3 274.767 2.114 20 30 CEEDHN Cc1cc(F)c(C#N)c(NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000892142449 624350248 /nfs/dbraw/zinc/35/02/48/624350248.db2.gz IAORUNXOYVOUNY-STQMWFEESA-N 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ZINC001025191545 627375994 /nfs/dbraw/zinc/37/59/94/627375994.db2.gz KNFXGVMIFJGLPV-SJORKVTESA-N 0 3 297.402 2.174 20 30 CEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccccn1 ZINC001025194139 627376997 /nfs/dbraw/zinc/37/69/97/627376997.db2.gz AXBDJZPQPKBAST-DLBZAZTESA-N 0 3 297.402 2.174 20 30 CEEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc[nH]1 ZINC001025199725 627377556 /nfs/dbraw/zinc/37/75/56/627377556.db2.gz YTDISUKHPUFMOC-IRXDYDNUSA-N 0 3 299.418 2.497 20 30 CEEDHN CN(CCC#N)c1ccc(CNc2nccn2C)cc1 ZINC000840886905 627378606 /nfs/dbraw/zinc/37/86/06/627378606.db2.gz CQFNVIFKQDGFCH-UHFFFAOYSA-N 0 3 269.352 2.382 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccs2)C1 ZINC001025328316 627636291 /nfs/dbraw/zinc/63/62/91/627636291.db2.gz IRIZNAIGCGFOHH-QWHCGFSZSA-N 0 3 276.405 2.212 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2occc2C)C1 ZINC001025340909 627643945 /nfs/dbraw/zinc/64/39/45/627643945.db2.gz XMQDYPIHOYJSIS-ZIAGYGMSSA-N 0 3 274.364 2.052 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001025342443 627645752 /nfs/dbraw/zinc/64/57/52/627645752.db2.gz CYAFDVUIGYYECT-VXGBXAGGSA-N 0 3 293.798 2.132 20 30 CEEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ncccc2C)C1 ZINC001025385885 627668802 /nfs/dbraw/zinc/66/88/02/627668802.db2.gz UWZFRHMJEJIWAZ-HOTGVXAUSA-N 0 3 299.418 2.244 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ncccc2CC)C1 ZINC001025458719 627704380 /nfs/dbraw/zinc/70/43/80/627704380.db2.gz BXNFVHJDIVOYCC-ZBFHGGJFSA-N 0 3 299.418 2.108 20 30 CEEDHN CNC(=S)N(C)N=C1CCCC[C@@H]1N1CCCCC1 ZINC000841647947 627720519 /nfs/dbraw/zinc/72/05/19/627720519.db2.gz PMZSZNYJHJPOGS-ZDUSSCGKSA-N 0 3 282.457 2.207 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C)[nH]c2C)C1 ZINC001025546506 627744038 /nfs/dbraw/zinc/74/40/38/627744038.db2.gz QQWWFWLTGXYKHD-DZGCQCFKSA-N 0 3 287.407 2.095 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000892787852 627773715 /nfs/dbraw/zinc/77/37/15/627773715.db2.gz BAFAQZLHYCKYSR-YOEHRIQHSA-N 0 3 299.418 2.309 20 30 CEEDHN C=CCN1CCC([NH2+]Cc2ccc([O-])c(F)c2)CC1 ZINC000892881625 627828641 /nfs/dbraw/zinc/82/86/41/627828641.db2.gz ZVVYZYMQISMYRT-UHFFFAOYSA-N 0 3 264.344 2.271 20 30 CEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)c2ccco2)C1 ZINC001019942309 627928658 /nfs/dbraw/zinc/92/86/58/627928658.db2.gz XKZMMCYQMJDBEV-MGCOHNPYSA-N 0 3 299.168 2.039 20 30 CEEDHN CCC(=O)N1C[C@@H]2CC[C@@H](NCc3ccccc3C#N)[C@@H]2C1 ZINC001026159296 628057966 /nfs/dbraw/zinc/05/79/66/628057966.db2.gz ILGMWSKRIQCTTF-GVDBMIGSSA-N 0 3 297.402 2.295 20 30 CEEDHN CC(C)(O)[C@@H]1CCCN1Cc1csc(C#N)c1 ZINC000893552124 628734384 /nfs/dbraw/zinc/73/43/84/628734384.db2.gz QERCEPSMOHFYHU-LBPRGKRZSA-N 0 3 250.367 2.355 20 30 CEEDHN CC1(C#N)CCC(NCc2csc(N)n2)CC1 ZINC000902498844 634692686 /nfs/dbraw/zinc/69/26/86/634692686.db2.gz GNIGVDPLXSROSM-UHFFFAOYSA-N 0 3 250.371 2.287 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](N)CC1CCCCC1 ZINC000261558794 628939033 /nfs/dbraw/zinc/93/90/33/628939033.db2.gz DJXLCAGAEQMYSU-AWEZNQCLSA-N 0 3 250.386 2.485 20 30 CEEDHN C[C@@]1(Br)C[C@@H]1CNCc1ccc(C#N)cn1 ZINC000893868835 629022283 /nfs/dbraw/zinc/02/22/83/629022283.db2.gz OMRPUBSOBVCWFM-ZYHUDNBSSA-N 0 3 280.169 2.216 20 30 CEEDHN C#CCNC(=O)CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000015487601 629147234 /nfs/dbraw/zinc/14/72/34/629147234.db2.gz VWPKOGXRBXZIBL-GOSISDBHSA-N 0 3 292.382 2.309 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nccn1C1CC1 ZINC000894217418 629232570 /nfs/dbraw/zinc/23/25/70/629232570.db2.gz XSHCBWDCTMAIPX-WFASDCNBSA-N 0 3 261.369 2.289 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)NCCC ZINC000795333341 629518647 /nfs/dbraw/zinc/51/86/47/629518647.db2.gz NPCRJCSAVKKUAB-HOCLYGCPSA-N 0 3 272.392 2.125 20 30 CEEDHN COc1ccc([C@H](CO)CNCC#Cc2ccccc2)cc1 ZINC000894860888 629698238 /nfs/dbraw/zinc/69/82/38/629698238.db2.gz JZBMEKRSFHRZNS-SFHVURJKSA-N 0 3 295.382 2.412 20 30 CEEDHN CN(C)CC#CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000894875327 629709856 /nfs/dbraw/zinc/70/98/56/629709856.db2.gz BOGUUWLXCSAQBD-UHFFFAOYSA-N 0 3 299.277 2.173 20 30 CEEDHN Cc1nc(-c2cccnc2)nc(NCC#CCN(C)C)c1C ZINC000894876097 629710307 /nfs/dbraw/zinc/71/03/07/629710307.db2.gz NJBDDNIFVYMUBW-UHFFFAOYSA-N 0 3 295.390 2.132 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895095130 629888609 /nfs/dbraw/zinc/88/86/09/629888609.db2.gz GDTZBRAPMQKXIU-LLVKDONJSA-N 0 3 282.727 2.112 20 30 CEEDHN COC(=O)[C@@H]1CC[C@H](NCC2(C#N)CCCC2)C1 ZINC000895133627 629942095 /nfs/dbraw/zinc/94/20/95/629942095.db2.gz NGOWIQCADVOMEP-NEPJUHHUSA-N 0 3 250.342 2.002 20 30 CEEDHN CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN([O-])C2=O)CC1 ZINC000895157277 629973597 /nfs/dbraw/zinc/97/35/97/629973597.db2.gz OSXZHPCMTVYIKN-AGIUHOORSA-N 0 3 254.374 2.315 20 30 CEEDHN C[C@H](C[NH2+][C@@H]1CCCN([O-])C1=O)C1CCCCC1 ZINC000895159090 629975711 /nfs/dbraw/zinc/97/57/11/629975711.db2.gz SGSFMZRSUWXEID-DGCLKSJQSA-N 0 3 254.374 2.173 20 30 CEEDHN C[C@@H](CCC1CCCC1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895158987 629977237 /nfs/dbraw/zinc/97/72/37/629977237.db2.gz AZPQTVADIPJSOU-WCQYABFASA-N 0 3 254.374 2.315 20 30 CEEDHN C[C@H](CCC1CCCC1)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895158988 629977327 /nfs/dbraw/zinc/97/73/27/629977327.db2.gz AZPQTVADIPJSOU-YPMHNXCESA-N 0 3 254.374 2.315 20 30 CEEDHN C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CCCN([O-])C2=O)C1 ZINC000895160680 629977758 /nfs/dbraw/zinc/97/77/58/629977758.db2.gz OKLNTGFAOMTXJN-UXLLHSPISA-N 0 3 288.391 2.467 20 30 CEEDHN O=C1[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CCCN1[O-] ZINC000895161456 629979381 /nfs/dbraw/zinc/97/93/81/629979381.db2.gz RNYYXBZTAHSIGJ-BZUAXINKSA-N 0 3 288.391 2.368 20 30 CEEDHN CCCC1CCC([NH2+][C@H]2CCCN([O-])C2=O)CC1 ZINC000895162553 629982059 /nfs/dbraw/zinc/98/20/59/629982059.db2.gz MQPDDUALAPBLEZ-BPCQOVAHSA-N 0 3 254.374 2.315 20 30 CEEDHN C[C@H]([NH2+][C@@H]1CCCN([O-])C1=O)C1CCC(F)(F)CC1 ZINC000895162462 629982895 /nfs/dbraw/zinc/98/28/95/629982895.db2.gz ZXVZMSMJZKAMHQ-GXSJLCMTSA-N 0 3 276.327 2.170 20 30 CEEDHN COc1ccc(C2=NO[C@H](CN[C@H]3CC[C@@H](C#N)C3)C2)cc1 ZINC000895496601 630224638 /nfs/dbraw/zinc/22/46/38/630224638.db2.gz SWIILMHMVVJYIS-INWMFGNUSA-N 0 3 299.374 2.470 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1[C@H](C)[C@@H]1c1ccccc1 ZINC000797549062 630286577 /nfs/dbraw/zinc/28/65/77/630286577.db2.gz ULROASXSJGAETM-NMFUWQPSSA-N 0 3 284.359 2.270 20 30 CEEDHN Cc1c(Cl)cnc(N[C@H]2CCN(C)[C@@H]2C)c1C#N ZINC000895736297 630325820 /nfs/dbraw/zinc/32/58/20/630325820.db2.gz KAUIEFPSFNZWJU-SKDRFNHKSA-N 0 3 264.760 2.420 20 30 CEEDHN C[C@@H]1[C@H](Nc2c(C#N)cnn2-c2ccccc2)CCN1C ZINC000895738328 630327489 /nfs/dbraw/zinc/32/74/89/630327489.db2.gz VHDZMJWROMNSFN-IUODEOHRSA-N 0 3 281.363 2.248 20 30 CEEDHN N#Cc1cccc(CNC[C@H]2CC3(CCC3)CO2)n1 ZINC000895788816 630345106 /nfs/dbraw/zinc/34/51/06/630345106.db2.gz IDRYRBFDVSRRPZ-CQSZACIVSA-N 0 3 257.337 2.002 20 30 CEEDHN C=CCC1(O)CCN(Cc2[nH]nc3ccccc32)CC1 ZINC000895835920 630372124 /nfs/dbraw/zinc/37/21/24/630372124.db2.gz QMWADXXHZFZIOC-UHFFFAOYSA-N 0 3 271.364 2.466 20 30 CEEDHN N#Cc1cccc(CNCC2(C3(O)CCC3)CCC2)n1 ZINC000895867936 630384118 /nfs/dbraw/zinc/38/41/18/630384118.db2.gz KPUUSSQMSJFBLP-UHFFFAOYSA-N 0 3 271.364 2.128 20 30 CEEDHN CN1CCN(c2ccc(CNCC3(C#N)CCC3)cc2)CC1 ZINC000841895675 630449097 /nfs/dbraw/zinc/44/90/97/630449097.db2.gz AWECMTREIZTURD-UHFFFAOYSA-N 0 3 298.434 2.222 20 30 CEEDHN CCO[C@H](CNc1cc(C#N)ccc1C(C)=O)CN(C)C ZINC000896115248 630468251 /nfs/dbraw/zinc/46/82/51/630468251.db2.gz JKRRYWLCVTVMAJ-CQSZACIVSA-N 0 3 289.379 2.139 20 30 CEEDHN Cc1cc(C#N)cc(C)c1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000896440374 630566932 /nfs/dbraw/zinc/56/69/32/630566932.db2.gz BYMDKMSVIAXPAX-XJKSGUPXSA-N 0 3 297.402 2.388 20 30 CEEDHN N#Cc1ccc(NC[C@H]2CCN2C2CCOCC2)c(F)c1 ZINC000896519149 630587642 /nfs/dbraw/zinc/58/76/42/630587642.db2.gz SGTVWZTXHRWYKS-CQSZACIVSA-N 0 3 289.354 2.363 20 30 CEEDHN Cc1cn[nH]c1CN1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000896652585 630625613 /nfs/dbraw/zinc/62/56/13/630625613.db2.gz BLOSLEWWNBBFHO-CQSZACIVSA-N 0 3 296.378 2.061 20 30 CEEDHN CC(=O)c1ccc(C#N)c(N2C[C@H]3CN(C)C[C@@]3(C)C2)c1 ZINC000896912929 630797786 /nfs/dbraw/zinc/79/77/86/630797786.db2.gz KMZBSFAPIMSVNN-WBVHZDCISA-N 0 3 283.375 2.149 20 30 CEEDHN CN(C)Cc1cccc(C(=O)N[C@@H](CC#N)C(F)(F)F)c1 ZINC000928807198 631168047 /nfs/dbraw/zinc/16/80/47/631168047.db2.gz WIVHXIYYISNULE-LBPRGKRZSA-N 0 3 299.296 2.323 20 30 CEEDHN CCCCCCN(C)CC(=O)N[C@@H](CC#N)C(F)(F)F ZINC000928809929 631170522 /nfs/dbraw/zinc/17/05/22/631170522.db2.gz RZNGKXUFGNERSG-NSHDSACASA-N 0 3 293.333 2.459 20 30 CEEDHN CCC(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)[C@H]1C ZINC000985844118 631187995 /nfs/dbraw/zinc/18/79/95/631187995.db2.gz ITLFXRSUXCETPH-IAQYHMDHSA-N 0 3 289.354 2.186 20 30 CEEDHN C#CCNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000801601260 631298391 /nfs/dbraw/zinc/29/83/91/631298391.db2.gz DCZNCWLFHHXDGU-BJWYYQGGSA-N 0 3 282.387 2.146 20 30 CEEDHN C[C@H](NCCNc1ccccn1)c1cc(C#N)ccn1 ZINC000902814301 634848103 /nfs/dbraw/zinc/84/81/03/634848103.db2.gz CDLOJPMSZOSHCA-LBPRGKRZSA-N 0 3 267.336 2.111 20 30 CEEDHN C[C@H](C#N)OCCN1CCC([C@H](O)c2ccccc2)CC1 ZINC000801911217 631352041 /nfs/dbraw/zinc/35/20/41/631352041.db2.gz GQTONLWETXKCGC-RHSMWYFYSA-N 0 3 288.391 2.361 20 30 CEEDHN C[C@H](C#N)OCCN1CCC2(CC1)OCc1ccccc12 ZINC000801927482 631357396 /nfs/dbraw/zinc/35/73/96/631357396.db2.gz RXMOCHPHBBQRFK-CQSZACIVSA-N 0 3 286.375 2.437 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000801927195 631358104 /nfs/dbraw/zinc/35/81/04/631358104.db2.gz JRMUIPQJVDDDCF-KBPBESRZSA-N 0 3 296.411 2.359 20 30 CEEDHN C[C@H](NC[C@@H](CO)c1ccccc1)c1cc(C#N)ccn1 ZINC000902833269 634851734 /nfs/dbraw/zinc/85/17/34/634851734.db2.gz YSZGBTBBWFNACH-BBRMVZONSA-N 0 3 281.359 2.380 20 30 CEEDHN C#CCNC(=S)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000802721379 631447051 /nfs/dbraw/zinc/44/70/51/631447051.db2.gz SYMSMUPVUSGJJD-CYBMUJFWSA-N 0 3 295.839 2.040 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)C(C)=C2CCCC2)C1 ZINC000988556965 631608479 /nfs/dbraw/zinc/60/84/79/631608479.db2.gz 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C=C(C)CN1CC[C@@]2(NC(=O)C(C)(C)F)CCC[C@H]12 ZINC000989899673 632275193 /nfs/dbraw/zinc/27/51/93/632275193.db2.gz NESMABJCHUHNRV-WFASDCNBSA-N 0 3 268.376 2.424 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)C3CC=CC3)CCC[C@@H]12 ZINC000990093427 632310552 /nfs/dbraw/zinc/31/05/52/632310552.db2.gz AOOXGUVNMKKRAK-GDBMZVCRSA-N 0 3 260.381 2.252 20 30 CEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3ocnc3C)CCC[C@@H]12 ZINC000990134397 632318937 /nfs/dbraw/zinc/31/89/37/632318937.db2.gz KOMCGCIJFPUJCV-CJNGLKHVSA-N 0 3 289.379 2.286 20 30 CEEDHN CCC(=NNC[C@@H](O)CC)c1ccc(N(C)C)cc1 ZINC000811653097 632414468 /nfs/dbraw/zinc/41/44/68/632414468.db2.gz GLTLZFXXKZNJOW-AWEZNQCLSA-N 0 3 263.385 2.227 20 30 CEEDHN CC1/C(=C\c2cnn(CC3CCC3)c2)C(=O)c2ncnn21 ZINC000899381622 632822241 /nfs/dbraw/zinc/82/22/41/632822241.db2.gz QOKZYUFBSVOMER-ASOMJZDJSA-N 0 3 283.335 2.116 20 30 CEEDHN CC1/C(=C/c2cnn(CC3CCC3)c2)C(=O)c2ncnn21 ZINC000899381625 632822332 /nfs/dbraw/zinc/82/23/32/632822332.db2.gz QOKZYUFBSVOMER-JHXMEDKLSA-N 0 3 283.335 2.116 20 30 CEEDHN CCc1ccc(C#CC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000815772650 633059290 /nfs/dbraw/zinc/05/92/90/633059290.db2.gz OBGXWCOLZAFQJO-WMLDXEAASA-N 0 3 296.414 2.342 20 30 CEEDHN CC[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1cccc(C#N)c1 ZINC000902875150 634867009 /nfs/dbraw/zinc/86/70/09/634867009.db2.gz LBFVEEFHVFHAPJ-HOCLYGCPSA-N 0 3 283.375 2.362 20 30 CEEDHN C=CCC(F)(F)C(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000816663041 633459897 /nfs/dbraw/zinc/45/98/97/633459897.db2.gz HNYWNZHDNQDVTF-VXGBXAGGSA-N 0 3 272.339 2.283 20 30 CEEDHN C#Cc1ccc(CN[C@@H]2C[C@@H](OCC)[C@@H]2n2cccn2)cc1 ZINC000816672942 633461907 /nfs/dbraw/zinc/46/19/07/633461907.db2.gz NVNHQLREZYGCDE-KZNAEPCWSA-N 0 3 295.386 2.373 20 30 CEEDHN C#Cc1ccc(CN[C@@H]2C[C@H](OCC)[C@H]2n2cccn2)cc1 ZINC000816672943 633462124 /nfs/dbraw/zinc/46/21/24/633462124.db2.gz NVNHQLREZYGCDE-SQNIBIBYSA-N 0 3 295.386 2.373 20 30 CEEDHN CC(C)(C)[S@@](=O)CCNCc1ccc(C#N)c(F)c1 ZINC000817408681 633649648 /nfs/dbraw/zinc/64/96/48/633649648.db2.gz LHZURNQTYHUHSS-IBGZPJMESA-N 0 3 282.384 2.334 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@@H]1CCc2ccccc21 ZINC000818596008 633955412 /nfs/dbraw/zinc/95/54/12/633955412.db2.gz YUDHXWRJYFFDFD-INIZCTEOSA-N 0 3 284.403 2.178 20 30 CEEDHN C#CCN(C)CCCNC(=O)CC1(C)CCCCC1 ZINC000818606594 633957627 /nfs/dbraw/zinc/95/76/27/633957627.db2.gz YLLNIDYQYOYERQ-UHFFFAOYSA-N 0 3 264.413 2.418 20 30 CEEDHN C[C@@H]1CCCN1CCNc1c(C#N)cccc1[N+](=O)[O-] ZINC000819920330 634281992 /nfs/dbraw/zinc/28/19/92/634281992.db2.gz YKGUNWFUAJOWOJ-LLVKDONJSA-N 0 3 274.324 2.363 20 30 CEEDHN C[C@@H](N[C@H](CO)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902806344 634830998 /nfs/dbraw/zinc/83/09/98/634830998.db2.gz KIGSYQNKWVUCHQ-CJNGLKHVSA-N 0 3 281.359 2.207 20 30 CEEDHN CC[C@@H](N[C@H](C)C(=O)N(C)CC)c1cccc(C#N)c1 ZINC000902971277 634924029 /nfs/dbraw/zinc/92/40/29/634924029.db2.gz VOVKFSZGYSAZQY-IUODEOHRSA-N 0 3 273.380 2.466 20 30 CEEDHN CO[C@@H]([C@H](C)N[C@H](C)c1cc(C#N)ccn1)C1CC1 ZINC000903012395 634938445 /nfs/dbraw/zinc/93/84/45/634938445.db2.gz PBLJYLKAHJQZHA-ZETOZRRWSA-N 0 3 259.353 2.417 20 30 CEEDHN C=CCOc1ccccc1CN[C@H]1CCO[C@]12CCOC2 ZINC000903091785 634974512 /nfs/dbraw/zinc/97/45/12/634974512.db2.gz ATIXQCZTGGYFQS-IRXDYDNUSA-N 0 3 289.375 2.289 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903154750 634991459 /nfs/dbraw/zinc/99/14/59/634991459.db2.gz WILTZJHVKBIFOQ-CMPLNLGQSA-N 0 3 280.324 2.191 20 30 CEEDHN CO[C@@]1(CN[C@H](C)c2cc(C#N)ccn2)CCSC1 ZINC000903316107 635063224 /nfs/dbraw/zinc/06/32/24/635063224.db2.gz MWVFTVWODWXFAW-BXUZGUMPSA-N 0 3 277.393 2.126 20 30 CEEDHN C#C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccccc1 ZINC000823469643 635189032 /nfs/dbraw/zinc/18/90/32/635189032.db2.gz FHHZRRFTPLDHEM-HZPDHXFCSA-N 0 3 270.376 2.350 20 30 CEEDHN C#CCOc1ccc(CNCc2cnccc2N(C)C)cc1 ZINC000824926181 635527198 /nfs/dbraw/zinc/52/71/98/635527198.db2.gz LVQSUZWQWCKTMG-UHFFFAOYSA-N 0 3 295.386 2.449 20 30 CEEDHN N#Cc1ccc(F)c(C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000825555953 635663022 /nfs/dbraw/zinc/66/30/22/635663022.db2.gz MJDHSLMLKCJDAJ-CYBMUJFWSA-N 0 3 287.338 2.008 20 30 CEEDHN C#C[C@H](CC)NCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000825878306 635725675 /nfs/dbraw/zinc/72/56/75/635725675.db2.gz IWGQRSKFGMKQBJ-GDBMZVCRSA-N 0 3 259.349 2.356 20 30 CEEDHN C#C[C@H](NC(=O)NC1CCN(CC=C)CC1)c1ccccc1 ZINC000826046067 635751875 /nfs/dbraw/zinc/75/18/75/635751875.db2.gz HXESXXRGQFYNJB-KRWDZBQOSA-N 0 3 297.402 2.311 20 30 CEEDHN CN1CC[C@H]1CN=Cc1cc2ccccc2[nH]c1=O ZINC000905001568 635772920 /nfs/dbraw/zinc/77/29/20/635772920.db2.gz BETRLRRYVYKNMU-WFSQQTBHSA-N 0 3 255.321 2.063 20 30 CEEDHN Cc1cn2c(/C=C3\C(=O)c4ncnn4C3C)c(C)nc2s1 ZINC000905079338 635796432 /nfs/dbraw/zinc/79/64/32/635796432.db2.gz BHKWOTOZPULLKA-SGRPLGENSA-N 0 3 299.359 2.445 20 30 CEEDHN COCc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905080505 635796611 /nfs/dbraw/zinc/79/66/11/635796611.db2.gz LQYCJWDVIPHUHP-QVASGMJFSA-N 0 3 269.304 2.265 20 30 CEEDHN COCc1cccc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905080544 635797780 /nfs/dbraw/zinc/79/77/80/635797780.db2.gz MOPWSZVOEBSRGG-SRMXYGTFSA-N 0 3 269.304 2.265 20 30 CEEDHN CC1/C(=C/c2cccc3c2CCOC3)C(=O)c2ncnn21 ZINC000905083046 635798706 /nfs/dbraw/zinc/79/87/06/635798706.db2.gz AVYSOUAJMCNLCG-QOUOVQQFSA-N 0 3 281.315 2.192 20 30 CEEDHN Cc1cccc([C@@H](O)CNCc2ccc(C#N)cn2)c1 ZINC000905262097 636180051 /nfs/dbraw/zinc/18/00/51/636180051.db2.gz NOWSAWHKTOKIIK-INIZCTEOSA-N 0 3 267.332 2.085 20 30 CEEDHN C#C[C@H](NCc1cnn(-c2ccccc2)c1)C1CCOCC1 ZINC000827571266 636356933 /nfs/dbraw/zinc/35/69/33/636356933.db2.gz YBAJAGYRMVSANV-SFHVURJKSA-N 0 3 295.386 2.390 20 30 CEEDHN C#Cc1cccc(NC(=S)N[C@@H]2CCN(C)[C@@H]2C)c1 ZINC000905650952 636363138 /nfs/dbraw/zinc/36/31/38/636363138.db2.gz UADLUCIWEPBNSW-BXUZGUMPSA-N 0 3 273.405 2.047 20 30 CEEDHN CC(C)C#CC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000827827710 636436161 /nfs/dbraw/zinc/43/61/61/636436161.db2.gz XWRSQSPUSKCNDH-KRWDZBQOSA-N 0 3 284.403 2.427 20 30 CEEDHN N#Cc1ccc(-c2cnc([C@H]3CCCN3)nc2)cc1 ZINC000906164968 636628500 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/nfs/dbraw/zinc/93/93/29/636939329.db2.gz MQCJBMUHPSBOFX-UKRRQHHQSA-N 0 3 259.353 2.190 20 30 CEEDHN C=CCOCCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000907269384 636973883 /nfs/dbraw/zinc/97/38/83/636973883.db2.gz IRKMKYFPUWEXLO-UHFFFAOYSA-N 0 3 287.363 2.223 20 30 CEEDHN CC(C)(C(=O)N1CCC[C@](C)(C#N)C1)N1CCCCC1 ZINC000907337801 636990149 /nfs/dbraw/zinc/99/01/49/636990149.db2.gz XHCCMWKASGBTJU-MRXNPFEDSA-N 0 3 277.412 2.403 20 30 CEEDHN C[C@H](C#N)OCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000830172557 636999311 /nfs/dbraw/zinc/99/93/11/636999311.db2.gz DRGQJWYWSKEQEH-MNOVXSKESA-N 0 3 263.297 2.174 20 30 CEEDHN C#CC1CCN([C@@H](C)C(=O)NCCCCC)CC1 ZINC000830316485 637034222 /nfs/dbraw/zinc/03/42/22/637034222.db2.gz UQSUIXMWKRYKGH-ZDUSSCGKSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CC1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000830316450 637034371 /nfs/dbraw/zinc/03/43/71/637034371.db2.gz SUJMDMGUECZHNE-HNNXBMFYSA-N 0 3 265.303 2.343 20 30 CEEDHN C#CC1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000830345888 637043342 /nfs/dbraw/zinc/04/33/42/637043342.db2.gz XVIXXOPUHOTSJR-MRXNPFEDSA-N 0 3 268.360 2.285 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccnc(Br)c1 ZINC000831687102 637410020 /nfs/dbraw/zinc/41/00/20/637410020.db2.gz HLLACRKZWGEODX-MNOVXSKESA-N 0 3 283.169 2.277 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1cc(C)ccc1OC ZINC000876566272 650333270 /nfs/dbraw/zinc/33/32/70/650333270.db2.gz FGOWXWXPYNGNIO-CYBMUJFWSA-N 0 3 296.798 2.132 20 30 CEEDHN CC(C)N1CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876565665 650333436 /nfs/dbraw/zinc/33/34/36/650333436.db2.gz YOCPLSHKUCWMDG-UHFFFAOYSA-N 0 3 286.423 2.150 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000876596183 650351927 /nfs/dbraw/zinc/35/19/27/650351927.db2.gz FRFQLLUTJHNFJY-SKDRFNHKSA-N 0 3 256.777 2.246 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc(C2CC2)cs1 ZINC000876600204 650354020 /nfs/dbraw/zinc/35/40/20/650354020.db2.gz GQYMZRJYOHXPMJ-MRVPVSSYSA-N 0 3 271.773 2.429 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(NC(=O)CC)cc1 ZINC000876604493 650355716 /nfs/dbraw/zinc/35/57/16/650355716.db2.gz KOQNZBGDRUBVKU-LBPRGKRZSA-N 0 3 295.770 2.444 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)COc1ccc(C)cc1 ZINC000876610381 650357968 /nfs/dbraw/zinc/35/79/68/650357968.db2.gz BWLPVCGAUYZBNF-OCCSQVGLSA-N 0 3 296.798 2.348 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)COc1cccc(C)c1 ZINC000876611304 650358976 /nfs/dbraw/zinc/35/89/76/650358976.db2.gz WZPMVECYUCRJPZ-TZMCWYRMSA-N 0 3 296.798 2.348 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000876643318 650364115 /nfs/dbraw/zinc/36/41/15/650364115.db2.gz WWKNCNOYEUWPSS-WDEREUQCSA-N 0 3 258.793 2.493 20 30 CEEDHN CCN(CCc1ccccn1)Cc1cccc(C#N)n1 ZINC000876635227 650369066 /nfs/dbraw/zinc/36/90/66/650369066.db2.gz QMSVWPKJSCBIPX-UHFFFAOYSA-N 0 3 266.348 2.413 20 30 CEEDHN CCN1CCCN(C(=O)c2ccsc2C#N)[C@H](C)C1 ZINC000910271014 637965923 /nfs/dbraw/zinc/96/59/23/637965923.db2.gz UCGOMDKMUTZYTE-LLVKDONJSA-N 0 3 277.393 2.176 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1cc(F)ccc1F ZINC000876658548 650382560 /nfs/dbraw/zinc/38/25/60/650382560.db2.gz YXGBIFOQVBNLAR-GFCCVEGCSA-N 0 3 288.725 2.093 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)Cc1cccc(OC)c1 ZINC000876660825 650383936 /nfs/dbraw/zinc/38/39/36/650383936.db2.gz IAUOQEAPCSPUIB-BXUZGUMPSA-N 0 3 296.798 2.212 20 30 CEEDHN COC[C@H](C)NN=C/C=C\c1ccc(N(C)C)cc1 ZINC000834970960 638005019 /nfs/dbraw/zinc/00/50/19/638005019.db2.gz RVZZAJYRHKWSCS-TUZXDBCRSA-N 0 3 261.369 2.376 20 30 CEEDHN CC(=NN[C@H]1CCOC1(C)C)c1ccc(N)cc1C ZINC000835017698 638024297 /nfs/dbraw/zinc/02/42/97/638024297.db2.gz XMLKDBWPIYMPLJ-AWEZNQCLSA-N 0 3 261.369 2.458 20 30 CEEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000835063132 638044941 /nfs/dbraw/zinc/04/49/41/638044941.db2.gz HMPJHTYEYHILPG-CHWSQXEVSA-N 0 3 274.320 2.149 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@](C)(CC)C1 ZINC000876666406 650388596 /nfs/dbraw/zinc/38/85/96/650388596.db2.gz QVFIFNVREDONIE-YPMHNXCESA-N 0 3 258.793 2.495 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000876681902 650396497 /nfs/dbraw/zinc/39/64/97/650396497.db2.gz BMQWEAHBHQWOMH-GZBFAFLISA-N 0 3 278.783 2.303 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000876715344 650408910 /nfs/dbraw/zinc/40/89/10/650408910.db2.gz MHMCTPWEVFCNCG-GFCCVEGCSA-N 0 3 294.786 2.090 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000911906716 638474434 /nfs/dbraw/zinc/47/44/34/638474434.db2.gz KVOVGZBXNNQFIK-LBPRGKRZSA-N 0 3 263.297 2.217 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1nc(C(C)C)cs1 ZINC000876776200 650428360 /nfs/dbraw/zinc/42/83/60/650428360.db2.gz LURDKGAHLWNCHP-VIFPVBQESA-N 0 3 287.816 2.353 20 30 CEEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccn(C)n1 ZINC000912123803 638566138 /nfs/dbraw/zinc/56/61/38/638566138.db2.gz JPJOZSDBARCZTK-GFCCVEGCSA-N 0 3 266.389 2.437 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1nnc(-c2ccco2)s1 ZINC000912155538 638592648 /nfs/dbraw/zinc/59/26/48/638592648.db2.gz LBGUEJOXTAPJGQ-SECBINFHSA-N 0 3 292.364 2.420 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(NC(=O)NC)c1 ZINC000912209829 638607188 /nfs/dbraw/zinc/60/71/88/638607188.db2.gz XHDUCGJOYOVCJU-CYBMUJFWSA-N 0 3 290.367 2.060 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CCCC[C@H]1C ZINC000836488820 638648313 /nfs/dbraw/zinc/64/83/13/638648313.db2.gz RKPWQRFOOMFFKB-HUUCEWRRSA-N 0 3 279.428 2.067 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000836490294 638649321 /nfs/dbraw/zinc/64/93/21/638649321.db2.gz SNEJJGCGWRAUKE-ILXRZTDVSA-N 0 3 279.428 2.018 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000836490297 638649549 /nfs/dbraw/zinc/64/95/49/638649549.db2.gz SNEJJGCGWRAUKE-RBSFLKMASA-N 0 3 279.428 2.018 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(COC)cc1 ZINC000912356088 638657032 /nfs/dbraw/zinc/65/70/32/638657032.db2.gz IFZZDHWUVMBHGS-HNNXBMFYSA-N 0 3 276.380 2.133 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N(C)c1ccc(F)cc1 ZINC000912495124 638701402 /nfs/dbraw/zinc/70/14/02/638701402.db2.gz CNBRENDZQZVGMH-CYBMUJFWSA-N 0 3 250.317 2.472 20 30 CEEDHN C=C(CN(C)C)C(=O)N(OC)[C@H](C)c1csc(C)n1 ZINC000836804173 638711715 /nfs/dbraw/zinc/71/17/15/638711715.db2.gz WZHWPGLIEIAPBD-SNVBAGLBSA-N 0 3 283.397 2.020 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2ccncc2)CC1 ZINC000876874941 650467954 /nfs/dbraw/zinc/46/79/54/650467954.db2.gz MNOPRTDKTZCGAR-CQSZACIVSA-N 0 3 293.798 2.258 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(O)c1C ZINC000876874286 650468170 /nfs/dbraw/zinc/46/81/70/650468170.db2.gz CYRMAVTUDQBDOE-JTQLQIEISA-N 0 3 268.744 2.417 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C)C(C)(C)C1 ZINC000876908338 650472905 /nfs/dbraw/zinc/47/29/05/650472905.db2.gz MBXGFRRSSWZRND-ONGXEEELSA-N 0 3 258.793 2.351 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000837328821 639187245 /nfs/dbraw/zinc/18/72/45/639187245.db2.gz HAUZUDJTFLUTKU-QLFBSQMISA-N 0 3 279.428 2.065 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000876900798 650478940 /nfs/dbraw/zinc/47/89/40/650478940.db2.gz RFBVDRAJYHKFBX-NWDGAFQWSA-N 0 3 296.802 2.160 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)Cc1cccs1 ZINC000876594632 639313241 /nfs/dbraw/zinc/31/32/41/639313241.db2.gz SUWZYEDTHMNLRJ-MWLCHTKSSA-N 0 3 272.801 2.265 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000876668891 639354716 /nfs/dbraw/zinc/35/47/16/639354716.db2.gz UTPPXLWAAPPLIY-LNLATYFQSA-N 0 3 258.793 2.397 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2ccccc2OC)CC1 ZINC000876936716 650494620 /nfs/dbraw/zinc/49/46/20/650494620.db2.gz LCKFMDSHUBRBRM-GFCCVEGCSA-N 0 3 294.782 2.270 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC2(CCC2)C[C@@H]1C ZINC000876939016 650496321 /nfs/dbraw/zinc/49/63/21/650496321.db2.gz SHGRFRXIMXJDNJ-QWRGUYRKSA-N 0 3 256.777 2.247 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccoc1C ZINC000876943294 650498335 /nfs/dbraw/zinc/49/83/35/650498335.db2.gz OWEPXBVXZQRONR-NSHDSACASA-N 0 3 256.733 2.016 20 30 CEEDHN CN(CCOC(=O)c1ccc(C#N)n1C)Cc1ccccc1 ZINC000837999257 639473637 /nfs/dbraw/zinc/47/36/37/639473637.db2.gz QQTJYIBNMVUNHY-UHFFFAOYSA-N 0 3 297.358 2.186 20 30 CEEDHN CC(C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000228939265 639665312 /nfs/dbraw/zinc/66/53/12/639665312.db2.gz LBOLAFZROLEVPE-CHWSQXEVSA-N 0 3 289.379 2.153 20 30 CEEDHN C[C@H](O)CN(C)N=C1CCCC[C@@H]1N1CCCCC1 ZINC000841649828 639819874 /nfs/dbraw/zinc/81/98/74/639819874.db2.gz BQSUJILQBRCLPZ-ZFWWWQNUSA-N 0 3 267.417 2.084 20 30 CEEDHN C#CCCCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000173316666 639851080 /nfs/dbraw/zinc/85/10/80/639851080.db2.gz YGRNYYXSFGARFA-UHFFFAOYSA-N 0 3 279.428 2.163 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H]3CCO[C@H]3CC)CCC[C@H]12 ZINC000991951547 639905222 /nfs/dbraw/zinc/90/52/22/639905222.db2.gz CMRWSOFCGFRDHQ-AESZEHBQSA-N 0 3 292.423 2.101 20 30 CEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3conc3C)CCC[C@H]12 ZINC000992165205 639978825 /nfs/dbraw/zinc/97/88/25/639978825.db2.gz ZTGQKICUVNMEQW-HOCLYGCPSA-N 0 3 289.379 2.286 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CC)CCC[C@@H]12 ZINC000992265784 640008525 /nfs/dbraw/zinc/00/85/25/640008525.db2.gz NYJQWYFGVOSEED-IXYNUQLISA-N 0 3 262.397 2.332 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CC)CCC[C@H]12 ZINC000992265776 640009198 /nfs/dbraw/zinc/00/91/98/640009198.db2.gz NYJQWYFGVOSEED-HGTKMLMNSA-N 0 3 262.397 2.332 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000842687529 640149738 /nfs/dbraw/zinc/14/97/38/640149738.db2.gz YDNCTERHPCROEH-TUAOUCFPSA-N 0 3 262.353 2.070 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1Cc2cccc(OC)c2C1 ZINC000877065614 650557277 /nfs/dbraw/zinc/55/72/77/650557277.db2.gz RZNXECRWESGCMF-LBPRGKRZSA-N 0 3 280.755 2.007 20 30 CEEDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1C)c1ccc(C#N)cc1 ZINC000914206539 640273657 /nfs/dbraw/zinc/27/36/57/640273657.db2.gz RMWWOYDQEOONDZ-SLEUVZQESA-N 0 3 286.379 2.011 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C2CCCC2)[C@H]1C ZINC000992939678 640376463 /nfs/dbraw/zinc/37/64/63/640376463.db2.gz DYJMADXJGWHLBA-HIFRSBDPSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CC[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000843669789 640491512 /nfs/dbraw/zinc/49/15/12/640491512.db2.gz SJFHGFOYDAIXNO-WMLDXEAASA-N 0 3 294.414 2.461 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1ccsc1 ZINC000193376286 640518154 /nfs/dbraw/zinc/51/81/54/640518154.db2.gz DNKDDUXASYAERS-LBPRGKRZSA-N 0 3 278.377 2.306 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cncc(F)c2)[C@@H]1C ZINC000993186874 640524871 /nfs/dbraw/zinc/52/48/71/640524871.db2.gz ODJCKVCHGSACII-SWLSCSKDSA-N 0 3 291.370 2.380 20 30 CEEDHN C/C=C/C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000915632435 640593365 /nfs/dbraw/zinc/59/33/65/640593365.db2.gz FAJFCUVAODMEMH-SNAWJCMRSA-N 0 3 271.364 2.025 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1C ZINC000993434823 640644531 /nfs/dbraw/zinc/64/45/31/640644531.db2.gz VOGZVOWEMIXZRC-CZUORRHYSA-N 0 3 299.418 2.498 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cncc(CC)c2)[C@@H]1C ZINC000993618903 640660080 /nfs/dbraw/zinc/66/00/80/640660080.db2.gz VSFVEESTWSPDKM-YOEHRIQHSA-N 0 3 299.418 2.250 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C)c(C)cn2)[C@H]1C ZINC000993627376 640664463 /nfs/dbraw/zinc/66/44/63/640664463.db2.gz XWLYBKCLRUMUIG-CVEARBPZSA-N 0 3 299.418 2.304 20 30 CEEDHN C#CC[C@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1ccccc1 ZINC000844313868 640672720 /nfs/dbraw/zinc/67/27/20/640672720.db2.gz WZVDGMHMDLVPHG-HOTGVXAUSA-N 0 3 284.359 2.324 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnoc2CC)[C@H]1C ZINC000993898072 640685574 /nfs/dbraw/zinc/68/55/74/640685574.db2.gz FGLYVRVURUOPOJ-TZMCWYRMSA-N 0 3 291.395 2.396 20 30 CEEDHN Cc1cc(C=NNC(=N)N)cc(C)c1OCc1ccccn1 ZINC000915959091 640708575 /nfs/dbraw/zinc/70/85/75/640708575.db2.gz IMZUJHXQCFOZJZ-UHFFFAOYSA-N 0 3 297.362 2.094 20 30 CEEDHN Cc1nc(C=NNCCN2CCCCC2)c2ccccn12 ZINC000915974405 640712549 /nfs/dbraw/zinc/71/25/49/640712549.db2.gz SQPDBAZZTOBJDY-UHFFFAOYSA-N 0 3 285.395 2.052 20 30 CEEDHN CN1CCN(N=Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000916248220 640747015 /nfs/dbraw/zinc/74/70/15/640747015.db2.gz SPYXVBRSHDMGSQ-UHFFFAOYSA-N 0 3 286.423 2.258 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(Cl)no2)[C@@H]1C ZINC000994266987 640794422 /nfs/dbraw/zinc/79/44/22/640794422.db2.gz WOMCYXMHMKSKOP-QWRGUYRKSA-N 0 3 297.786 2.487 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)nc2F)CC1 ZINC000844673104 640799480 /nfs/dbraw/zinc/79/94/80/640799480.db2.gz CQMXGAVLQIGXCP-UHFFFAOYSA-N 0 3 296.321 2.132 20 30 CEEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(C)=O ZINC000916904228 640830954 /nfs/dbraw/zinc/83/09/54/640830954.db2.gz YTLBEARZDMDLEW-ZDUSSCGKSA-N 0 3 258.321 2.479 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCS[C@@H](C)C2)CC1 ZINC000917142117 640857985 /nfs/dbraw/zinc/85/79/85/640857985.db2.gz QRGWRHSCIPOTCJ-JSGCOSHPSA-N 0 3 297.468 2.220 20 30 CEEDHN C#CCN(C(=O)NCC1(C)CCCC1)C1CCN(C)CC1 ZINC000917588162 640905443 /nfs/dbraw/zinc/90/54/43/640905443.db2.gz QEJILPXQXZEKEJ-UHFFFAOYSA-N 0 3 291.439 2.306 20 30 CEEDHN C[C@@H](COCC(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000845513373 640991158 /nfs/dbraw/zinc/99/11/58/640991158.db2.gz KANNBZGHEBLJMT-DZGCQCFKSA-N 0 3 295.342 2.473 20 30 CEEDHN CCC(C#N)C(=O)NCC(=O)OCc1ccc(Cl)cc1 ZINC000845940295 641133362 /nfs/dbraw/zinc/13/33/62/641133362.db2.gz WFAVJVNYKZJDHZ-LLVKDONJSA-N 0 3 294.738 2.049 20 30 CEEDHN C#CCN(C(=O)N[C@@H]1CCCC1(C)C)C1CCN(C)CC1 ZINC000921351194 641255099 /nfs/dbraw/zinc/25/50/99/641255099.db2.gz DCHQAGFHHLUKFM-OAHLLOKOSA-N 0 3 291.439 2.304 20 30 CEEDHN C#CCCCCC(=O)N1CCN(C2CCCC2)CC1 ZINC000179722637 641378490 /nfs/dbraw/zinc/37/84/90/641378490.db2.gz JBMYDDZTHKUFOB-UHFFFAOYSA-N 0 3 262.397 2.267 20 30 CEEDHN C#C[C@@H]1CCCN(C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000847018737 641524079 /nfs/dbraw/zinc/52/40/79/641524079.db2.gz MKUYREPEQDVRMM-CHWSQXEVSA-N 0 3 266.385 2.245 20 30 CEEDHN C#C[C@H]1CCCN(Cc2cccc(C(=O)OC)c2)C1 ZINC000847017265 641524135 /nfs/dbraw/zinc/52/41/35/641524135.db2.gz ARDJVSVGOVRFCW-ZDUSSCGKSA-N 0 3 257.333 2.318 20 30 CEEDHN C#C[C@@H]1CCCN(Cc2cnc3c(c2)c(C)nn3C)C1 ZINC000847024314 641530745 /nfs/dbraw/zinc/53/07/45/641530745.db2.gz QGJJQCBQKVPNEO-CYBMUJFWSA-N 0 3 268.364 2.122 20 30 CEEDHN N#Cc1cnc(Cl)c(CNCC[C@@H]2CCOC2)c1 ZINC000877314265 650669180 /nfs/dbraw/zinc/66/91/80/650669180.db2.gz WPVWKUVQTWKIJB-SNVBAGLBSA-N 0 3 265.744 2.123 20 30 CEEDHN CCN1C[C@H](CNC2(c3ccc(C#N)cc3)CCC2)OC1=O ZINC000847056259 641549258 /nfs/dbraw/zinc/54/92/58/641549258.db2.gz COXRIGXVUCVFDS-HNNXBMFYSA-N 0 3 299.374 2.368 20 30 CEEDHN C#C[C@@H]1CCCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000847361738 641645760 /nfs/dbraw/zinc/64/57/60/641645760.db2.gz LGJHGCYZOSUTPK-GDBMZVCRSA-N 0 3 289.423 2.058 20 30 CEEDHN C#CC[C@@H](NC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC000847614077 641705489 /nfs/dbraw/zinc/70/54/89/641705489.db2.gz KACGUJJANKRZCZ-GOEBONIOSA-N 0 3 270.376 2.209 20 30 CEEDHN COc1cc(C)nc(N=NC2CCCN3CCCC[C@@H]23)n1 ZINC000848407300 641980556 /nfs/dbraw/zinc/98/05/56/641980556.db2.gz YGTLYDPKBXVTDP-ZDUSSCGKSA-N 0 3 289.383 2.210 20 30 CEEDHN C(ON=C1CCCN2CCCC[C@@H]12)[C@H]1CCOC1 ZINC000848409291 641981633 /nfs/dbraw/zinc/98/16/33/641981633.db2.gz SGKZOPPCCDJYAW-JSGCOSHPSA-N 0 3 252.358 2.044 20 30 CEEDHN N#Cc1cnc(Cl)c(CN[C@H]2CCC[C@H]2CCO)c1 ZINC000877442501 650723770 /nfs/dbraw/zinc/72/37/70/650723770.db2.gz LENVSSOMTXEYFI-AAEUAGOBSA-N 0 3 279.771 2.247 20 30 CEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccc(C)nc2)CC1 ZINC000996939271 642161784 /nfs/dbraw/zinc/16/17/84/642161784.db2.gz HQCFCKWIQPZIQU-OAHLLOKOSA-N 0 3 299.418 2.244 20 30 CEEDHN CO[C@H](CNCc1ccc(C#N)cn1)C1CCCC1 ZINC000877460935 650728649 /nfs/dbraw/zinc/72/86/49/650728649.db2.gz YNPHWIATSHNNJB-OAHLLOKOSA-N 0 3 259.353 2.248 20 30 CEEDHN C#C[C@@H]1CCCN(Cc2cn(-c3ccncc3)nc2C)C1 ZINC000848923426 642195485 /nfs/dbraw/zinc/19/54/85/642195485.db2.gz DTARUAFFBNSANI-OAHLLOKOSA-N 0 3 280.375 2.421 20 30 CEEDHN C[C@@H](C(=O)N[C@H](C#N)C1CCCC1)N1[C@H](C)CC[C@@H]1C ZINC000921544368 642218794 /nfs/dbraw/zinc/21/87/94/642218794.db2.gz RDSFDZQWFYTIBT-SFDCQRBFSA-N 0 3 277.412 2.446 20 30 CEEDHN C#CCN(C(=O)NCCC1=CCCC1)C1CCN(C)CC1 ZINC000921622065 642280151 /nfs/dbraw/zinc/28/01/51/642280151.db2.gz BRTWGUSZXVWLGP-UHFFFAOYSA-N 0 3 289.423 2.226 20 30 CEEDHN C[C@H]1COCC[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877477399 650739593 /nfs/dbraw/zinc/73/95/93/650739593.db2.gz CLVZTWKBRVNJBV-CABZTGNLSA-N 0 3 265.744 2.121 20 30 CEEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2cocn2)CC1 ZINC000997966183 642348953 /nfs/dbraw/zinc/34/89/53/642348953.db2.gz SSINWOCSGPKGHP-CQSZACIVSA-N 0 3 289.379 2.015 20 30 CEEDHN CCC(=O)N1CCC[C@@H](NCc2ccc(F)c(C#N)c2)C1 ZINC000998310290 642383307 /nfs/dbraw/zinc/38/33/07/642383307.db2.gz CDUXQSUZTCMVIW-CQSZACIVSA-N 0 3 289.354 2.188 20 30 CEEDHN C#C[C@@H](CC)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000877513142 650758436 /nfs/dbraw/zinc/75/84/36/650758436.db2.gz MBAOFVZZNIQCPJ-INIZCTEOSA-N 0 3 283.375 2.441 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cccn2CC)C1 ZINC000999840854 642513752 /nfs/dbraw/zinc/51/37/52/642513752.db2.gz GAZPVPCTFYXNQD-UHFFFAOYSA-N 0 3 295.814 2.453 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](NCCF)C1 ZINC001000091834 642531220 /nfs/dbraw/zinc/53/12/20/642531220.db2.gz KCHCDKBBFRMHAF-JSGCOSHPSA-N 0 3 256.365 2.139 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)[C@H]3C[C@H]3C(C)C)CC2)CC1 ZINC001000303819 642581982 /nfs/dbraw/zinc/58/19/82/642581982.db2.gz DPJAVEGAGRTAHD-HOTGVXAUSA-N 0 3 288.435 2.273 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2[nH]ccc2C2CC2)CC1 ZINC001000769890 642646500 /nfs/dbraw/zinc/64/65/00/642646500.db2.gz HKFUKXHSRAFSSD-UHFFFAOYSA-N 0 3 285.391 2.440 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2cnc3cc[nH]c3c2)CC1 ZINC001000833302 642654930 /nfs/dbraw/zinc/65/49/30/642654930.db2.gz IZFMQTSXXDHZHR-UHFFFAOYSA-N 0 3 296.374 2.111 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2cc3ccccn3c2)CC1 ZINC001001231973 642701013 /nfs/dbraw/zinc/70/10/13/642701013.db2.gz KEALJSPOSAVTPC-UHFFFAOYSA-N 0 3 295.386 2.487 20 30 CEEDHN COC(=O)N(C)CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000850547338 642748281 /nfs/dbraw/zinc/74/82/81/642748281.db2.gz DEIMLNFIGCMXBX-SNVBAGLBSA-N 0 3 279.315 2.046 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1occc1C ZINC000850754019 642774872 /nfs/dbraw/zinc/77/48/72/642774872.db2.gz PYXNFYJITCWXTO-LBPRGKRZSA-N 0 3 276.336 2.146 20 30 CEEDHN C#CCN(C(=O)OC1CCCC1)C1CCN(C)CC1 ZINC000922022079 642845933 /nfs/dbraw/zinc/84/59/33/642845933.db2.gz GVPISOCBIDLOOE-UHFFFAOYSA-N 0 3 264.369 2.095 20 30 CEEDHN COC(=O)COc1ccccc1CNCC1(CC#N)CC1 ZINC000922085355 642871203 /nfs/dbraw/zinc/87/12/03/642871203.db2.gz RGDQKHUQVCCDNJ-UHFFFAOYSA-N 0 3 288.347 2.022 20 30 CEEDHN C[S@@](=O)C1(CNCc2csc(C#N)c2)CCC1 ZINC000922094873 642877844 /nfs/dbraw/zinc/87/78/44/642877844.db2.gz SSAXSMMXCJDLQB-QGZVFWFLSA-N 0 3 268.407 2.011 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC001016400837 642947634 /nfs/dbraw/zinc/94/76/34/642947634.db2.gz BQSUMVBIUKTAMD-CYBMUJFWSA-N 0 3 282.343 2.260 20 30 CEEDHN COC(=O)[C@@H](C)CN(C)Cc1cc(Cl)cc(C#N)c1 ZINC000929282000 642965424 /nfs/dbraw/zinc/96/54/24/642965424.db2.gz DMPBIWIZKQTBHF-JTQLQIEISA-N 0 3 280.755 2.453 20 30 CEEDHN C#CCOCCN1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000851722652 643126412 /nfs/dbraw/zinc/12/64/12/643126412.db2.gz YZULSZMSLRAKEO-MRXNPFEDSA-N 0 3 289.375 2.491 20 30 CEEDHN CN(C)[C@@H](CCNCc1ccc(C#N)o1)C(F)(F)F ZINC000922751633 643240497 /nfs/dbraw/zinc/24/04/97/643240497.db2.gz HCRKXDLDRHVGEH-NSHDSACASA-N 0 3 275.274 2.123 20 30 CEEDHN N#Cc1cnc(Cl)c(CNC[C@H](CO)CC2CC2)c1 ZINC000877632246 650824247 /nfs/dbraw/zinc/82/42/47/650824247.db2.gz STZCVAVZWGVVCR-GFCCVEGCSA-N 0 3 279.771 2.105 20 30 CEEDHN C#CCN(C(=O)N[C@@H]1C[C@]1(C)C(C)C)C1CCN(C)CC1 ZINC000922850435 643296113 /nfs/dbraw/zinc/29/61/13/643296113.db2.gz OYUNXNDXTCHRNK-NVXWUHKLSA-N 0 3 291.439 2.160 20 30 CEEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000852098010 643301091 /nfs/dbraw/zinc/30/10/91/643301091.db2.gz CGXWSHFMENWTEM-DZGCQCFKSA-N 0 3 252.402 2.412 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)N(C)Cc1cccs1 ZINC000852097500 643301143 /nfs/dbraw/zinc/30/11/43/643301143.db2.gz QAAXACLYMMMUSJ-CQSZACIVSA-N 0 3 264.394 2.098 20 30 CEEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCC1CCCCC1 ZINC000852098954 643302530 /nfs/dbraw/zinc/30/25/30/643302530.db2.gz ZZSHDPFZNQJGFI-BBRMVZONSA-N 0 3 264.413 2.463 20 30 CEEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1C ZINC000852098991 643302640 /nfs/dbraw/zinc/30/26/40/643302640.db2.gz ARUCREKNCCHDBN-RHSMWYFYSA-N 0 3 272.392 2.391 20 30 CEEDHN C#CCOCCN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000852173688 643339742 /nfs/dbraw/zinc/33/97/42/643339742.db2.gz XIYNYYDOHKQVCP-KRWDZBQOSA-N 0 3 285.387 2.490 20 30 CEEDHN Cc1cc(CN2CCC3=C(CCC(=O)N3)C2)ccc1C#N ZINC000852296510 643383205 /nfs/dbraw/zinc/38/32/05/643383205.db2.gz VAHMLXXHCZKMEJ-UHFFFAOYSA-N 0 3 281.359 2.237 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC2=C(CCC(=O)N2)C1 ZINC000852297613 643385378 /nfs/dbraw/zinc/38/53/78/643385378.db2.gz JYBPPMLXWATWEK-UHFFFAOYSA-N 0 3 281.359 2.237 20 30 CEEDHN N#CC[C@@H]1CCCN(C[C@H](O)c2ccc(F)cc2)C1 ZINC000852319958 643392455 /nfs/dbraw/zinc/39/24/55/643392455.db2.gz UCUADVACNJCWRF-WFASDCNBSA-N 0 3 262.328 2.485 20 30 CEEDHN C=C(C)CN1CCC(N(C)C(=O)c2ncoc2CC)CC1 ZINC001005195542 643394066 /nfs/dbraw/zinc/39/40/66/643394066.db2.gz LHPKUGICFMSWTD-UHFFFAOYSA-N 0 3 291.395 2.350 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2c[nH]nc2C(C)C)CC1 ZINC001005650498 643428482 /nfs/dbraw/zinc/42/84/82/643428482.db2.gz BXKGNQHRRQICEB-UHFFFAOYSA-N 0 3 290.411 2.256 20 30 CEEDHN C=CCOCCN1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852528441 643458497 /nfs/dbraw/zinc/45/84/97/643458497.db2.gz HCVJDKDUKZIEBW-UHFFFAOYSA-N 0 3 296.411 2.178 20 30 CEEDHN CCC[C@@H](CCO)NCc1cc(C#N)cnc1Cl ZINC000877666414 650841362 /nfs/dbraw/zinc/84/13/62/650841362.db2.gz AQSREPQZEMUFDB-LBPRGKRZSA-N 0 3 267.760 2.247 20 30 CEEDHN Cc1cc(C[C@H]2CCC[C@H]2NCC2(C#N)CC2)n(C)n1 ZINC000852658512 643502406 /nfs/dbraw/zinc/50/24/06/643502406.db2.gz YSMWQJHKCQDGNO-UKRRQHHQSA-N 0 3 272.396 2.333 20 30 CEEDHN C#CCCN(CCOC)CCc1nc2ccccc2n1C ZINC000852751381 643536871 /nfs/dbraw/zinc/53/68/71/643536871.db2.gz ZUDGNRUGMBVUMW-UHFFFAOYSA-N 0 3 285.391 2.088 20 30 CEEDHN CCCCCCCC[C@H](C)C(=O)NC[C@@H]1CNCCO1 ZINC000852891841 643590874 /nfs/dbraw/zinc/59/08/74/643590874.db2.gz ZEFOOBJAFCXFNP-GJZGRUSLSA-N 0 3 284.444 2.478 20 30 CEEDHN C#CCN(C(=O)N[C@@H](C(C)C)C1CC1)C1CCN(C)CC1 ZINC000923328716 643660001 /nfs/dbraw/zinc/66/00/01/643660001.db2.gz XDMSKJOWKHXHNU-INIZCTEOSA-N 0 3 291.439 2.160 20 30 CEEDHN C#CCN(C(=O)NCCC(C)(C)C=C)C1CCN(C)CC1 ZINC000923391453 643690591 /nfs/dbraw/zinc/69/05/91/643690591.db2.gz NDNCUIGAXONPCC-UHFFFAOYSA-N 0 3 291.439 2.328 20 30 CEEDHN C=C(C)CN1CCC(Nc2cnc(F)cn2)CC1 ZINC000853288400 643730205 /nfs/dbraw/zinc/73/02/05/643730205.db2.gz BVMNISJSDJZQCB-UHFFFAOYSA-N 0 3 250.321 2.068 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2coc(C3CC3)n2)CC1 ZINC001006106734 643732065 /nfs/dbraw/zinc/73/20/65/643732065.db2.gz SOSXLHXETCVGQG-UHFFFAOYSA-N 0 3 289.379 2.274 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001016433682 643801022 /nfs/dbraw/zinc/80/10/22/643801022.db2.gz MHZAHHFVLYOBJR-CQSZACIVSA-N 0 3 290.411 2.153 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cc(Cl)no2)CC1 ZINC001006322322 643812737 /nfs/dbraw/zinc/81/27/37/643812737.db2.gz GYXDCOSTQUIBSU-UHFFFAOYSA-N 0 3 283.759 2.050 20 30 CEEDHN C=CCc1cc(C[N@H+](C)CC2CN(C)C2)c([O-])c(OC)c1 ZINC000853556103 643813261 /nfs/dbraw/zinc/81/32/61/643813261.db2.gz XIAHHKSWXCZDPX-UHFFFAOYSA-N 0 3 290.407 2.123 20 30 CEEDHN C=CCc1cc(C[N@@H+](C)CC2CN(C)C2)c([O-])c(OC)c1 ZINC000853556103 643813265 /nfs/dbraw/zinc/81/32/65/643813265.db2.gz XIAHHKSWXCZDPX-UHFFFAOYSA-N 0 3 290.407 2.123 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2ccc(OC)cc2)CC1 ZINC001006327565 643813412 /nfs/dbraw/zinc/81/34/12/643813412.db2.gz MKXSJQSLYDTJDK-UHFFFAOYSA-N 0 3 288.391 2.418 20 30 CEEDHN C#C[C@H](CC)NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000854069992 643976723 /nfs/dbraw/zinc/97/67/23/643976723.db2.gz GFACCTFOJDNNDH-MRXNPFEDSA-N 0 3 291.439 2.306 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC(C)(C)CC(C)(C)C ZINC000838623928 643980616 /nfs/dbraw/zinc/98/06/16/643980616.db2.gz XKHSFTLQOAOLDW-UHFFFAOYSA-N 0 3 281.444 2.456 20 30 CEEDHN C=CCONC(=O)N(CCC)CCN1CCCCC1 ZINC000838710298 643999676 /nfs/dbraw/zinc/99/96/76/643999676.db2.gz FYLHUQGMNSDDCR-UHFFFAOYSA-N 0 3 269.389 2.012 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1CC2(C1)CCCCC2 ZINC000854663975 644122097 /nfs/dbraw/zinc/12/20/97/644122097.db2.gz JRHZGBNZUBWHMX-UHFFFAOYSA-N 0 3 276.424 2.418 20 30 CEEDHN C#C[C@](C)(CC)NC(=O)CCN1CCc2ccccc2C1 ZINC000854701707 644138226 /nfs/dbraw/zinc/13/82/26/644138226.db2.gz FABHIQNEVLMRAZ-GOSISDBHSA-N 0 3 284.403 2.353 20 30 CEEDHN C[C@@H]1Cc2ccccc2C1=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753936316 644297114 /nfs/dbraw/zinc/29/71/14/644297114.db2.gz SQPDMAXIKIZLNC-UGFHNGPFSA-N 0 3 282.391 2.443 20 30 CEEDHN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1scnc1C ZINC000753937199 644297601 /nfs/dbraw/zinc/29/76/01/644297601.db2.gz WVOXZSMLTOZJAE-GHMZBOCLSA-N 0 3 277.397 2.036 20 30 CEEDHN CCN1CCN(Cc2ccc(OCC#N)cc2)C[C@H]1C ZINC000754373002 644364554 /nfs/dbraw/zinc/36/45/54/644364554.db2.gz OEFGEOXCKXRHOT-CQSZACIVSA-N 0 3 273.380 2.115 20 30 CEEDHN CCN1CCN(Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000754384912 644366198 /nfs/dbraw/zinc/36/61/98/644366198.db2.gz GSSBMKBZLSQFOH-GFCCVEGCSA-N 0 3 261.344 2.223 20 30 CEEDHN C#CCNC(=O)CN(C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000839651560 644763276 /nfs/dbraw/zinc/76/32/76/644763276.db2.gz UTXBICSATRDDJP-DLBZAZTESA-N 0 3 284.403 2.394 20 30 CEEDHN Cc1ccccc1COCC(=O)C(C#N)c1ccncn1 ZINC000857019106 644786246 /nfs/dbraw/zinc/78/62/46/644786246.db2.gz QKERGOHZIORGFZ-CQSZACIVSA-N 0 3 281.315 2.178 20 30 CEEDHN CC(=O)[C@@](C#N)(CCN1CCCN(C)CC1)c1ccccc1 ZINC000877934823 650952223 /nfs/dbraw/zinc/95/22/23/650952223.db2.gz FNBNOZWYOGQGTJ-SFHVURJKSA-N 0 3 299.418 2.065 20 30 CEEDHN C[C@@H](NC1COC(C)(C)OC1)c1cccc(C#N)c1 ZINC000757697851 644837569 /nfs/dbraw/zinc/83/75/69/644837569.db2.gz MIQFASQLRCRKBG-LLVKDONJSA-N 0 3 260.337 2.360 20 30 CEEDHN C=CCN(C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)C(C)C ZINC000757792745 644846913 /nfs/dbraw/zinc/84/69/13/644846913.db2.gz QDSHINLINSCJMV-JSGCOSHPSA-N 0 3 265.401 2.075 20 30 CEEDHN C#CCN(C[C@@H]1CCc2ncnn21)[C@H]1CCc2ccccc21 ZINC000877990206 650968916 /nfs/dbraw/zinc/96/89/16/650968916.db2.gz BCPKNVSFKIKHLT-RDJZCZTQSA-N 0 3 292.386 2.388 20 30 CEEDHN C#CCCN1CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000759402740 645021417 /nfs/dbraw/zinc/02/14/17/645021417.db2.gz XGKNHWMUEBHGDB-UHFFFAOYSA-N 0 3 256.393 2.444 20 30 CEEDHN C#CC[C@@H](COC)NCc1ccc(O[C@@H](C)COC)cc1 ZINC000858333996 645121834 /nfs/dbraw/zinc/12/18/34/645121834.db2.gz FOPAVQPPRMYYTG-HOCLYGCPSA-N 0 3 291.391 2.228 20 30 CEEDHN C=CC[C@@H](C)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000878055017 650985987 /nfs/dbraw/zinc/98/59/87/650985987.db2.gz LREWTPXTOFYBSK-HUUCEWRRSA-N 0 3 293.455 2.016 20 30 CEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)OCCF ZINC000858923002 645295742 /nfs/dbraw/zinc/29/57/42/645295742.db2.gz UORLZPXSTIHCFN-UHFFFAOYSA-N 0 3 293.342 2.028 20 30 CEEDHN C=C(C)COCC[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000761984707 645346255 /nfs/dbraw/zinc/34/62/55/645346255.db2.gz DJCMOFCCDWYXME-UHFFFAOYSA-N 0 3 265.353 2.473 20 30 CEEDHN C#CCCOC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000859154304 645391161 /nfs/dbraw/zinc/39/11/61/645391161.db2.gz BTLXJHLGZWNSDQ-OLZOCXBDSA-N 0 3 278.352 2.458 20 30 CEEDHN C#C[C@@](C)(CC)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000859320426 645456833 /nfs/dbraw/zinc/45/68/33/645456833.db2.gz ZMHBSABXNCLPJH-HOCLYGCPSA-N 0 3 262.397 2.312 20 30 CEEDHN COCC#CCN1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000762925943 645481366 /nfs/dbraw/zinc/48/13/66/645481366.db2.gz KFBWYJXCZMERNJ-IAGOWNOFSA-N 0 3 273.376 2.224 20 30 CEEDHN C[C@@H](NC[C@@H]1CC2(CC2)C(=O)O1)c1ccc(C#N)cc1 ZINC000763738789 645572132 /nfs/dbraw/zinc/57/21/32/645572132.db2.gz UHQFUTRHBTYZCE-RISCZKNCSA-N 0 3 270.332 2.305 20 30 CEEDHN C[C@H](NC[C@H]1CC2(CC2)C(=O)O1)c1ccc(C#N)cc1 ZINC000763738790 645572184 /nfs/dbraw/zinc/57/21/84/645572184.db2.gz UHQFUTRHBTYZCE-SMDDNHRTSA-N 0 3 270.332 2.305 20 30 CEEDHN CC(C)(C(=O)N1CCNC(C)(C)C1)c1ccc(C#N)cc1 ZINC000859833609 645624428 /nfs/dbraw/zinc/62/44/28/645624428.db2.gz HFTSPMJWQZCXLH-UHFFFAOYSA-N 0 3 285.391 2.046 20 30 CEEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccns1 ZINC000860059980 645686393 /nfs/dbraw/zinc/68/63/93/645686393.db2.gz RRIWJYILZIJBGD-UWVGGRQHSA-N 0 3 253.371 2.094 20 30 CEEDHN Cc1cc(Cl)c2c(c1)C(=NNC(=N)N)CCCO2 ZINC000767742645 646035735 /nfs/dbraw/zinc/03/57/35/646035735.db2.gz BPFJLPOBSPCPJX-UHFFFAOYSA-N 0 3 266.732 2.008 20 30 CEEDHN C#CCOc1ccccc1CN1CCC(CCO)CC1 ZINC000768236851 646099751 /nfs/dbraw/zinc/09/97/51/646099751.db2.gz JLOMQCHXPHCENF-UHFFFAOYSA-N 0 3 273.376 2.293 20 30 CEEDHN COC(=O)C1=CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000862467538 646471585 /nfs/dbraw/zinc/47/15/85/646471585.db2.gz OHZQTDUMZOWNIV-CYBMUJFWSA-N 0 3 274.295 2.049 20 30 CEEDHN N#CCOc1ccc(Cl)cc1CN[C@H](CO)C1CC1 ZINC000771813859 646554098 /nfs/dbraw/zinc/55/40/98/646554098.db2.gz QDFIMELFODIJDV-CYBMUJFWSA-N 0 3 280.755 2.103 20 30 CEEDHN Cc1cccc(F)c1CNC[C@H](O)CC1(C#N)CC1 ZINC000863553086 646754507 /nfs/dbraw/zinc/75/45/07/646754507.db2.gz ULOPWEICZCJNOV-GFCCVEGCSA-N 0 3 262.328 2.279 20 30 CEEDHN CC[C@H](NCC(=O)N(CC)CC)c1ccc(C#N)cc1 ZINC000774135300 646808361 /nfs/dbraw/zinc/80/83/61/646808361.db2.gz BFUKEEGNCJHSPK-HNNXBMFYSA-N 0 3 273.380 2.467 20 30 CEEDHN Cc1ccc(CC(=O)C(C#N)C(=O)NCc2ccccc2)o1 ZINC000775227198 646931470 /nfs/dbraw/zinc/93/14/70/646931470.db2.gz MMDYVPZMPKGVTN-HNNXBMFYSA-N 0 3 296.326 2.156 20 30 CEEDHN C#C[C@H](NCc1cccc2[nH]ccc21)[C@@H]1CCCO1 ZINC000775343321 646943666 /nfs/dbraw/zinc/94/36/66/646943666.db2.gz WBGBOADBYNGXCG-HOCLYGCPSA-N 0 3 254.333 2.438 20 30 CEEDHN CC(C)OCCNN=Cc1ccc2c(c1)CCCN2C ZINC000778547708 647241588 /nfs/dbraw/zinc/24/15/88/647241588.db2.gz KMQLWJHNVUMNTF-UHFFFAOYSA-N 0 3 275.396 2.418 20 30 CEEDHN C#CCCN1CCN(c2ccncc2C(F)(F)F)CC1 ZINC000865476990 647314939 /nfs/dbraw/zinc/31/49/39/647314939.db2.gz VJGYNNBKMRCRQC-UHFFFAOYSA-N 0 3 283.297 2.246 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CNCCOC1CCC1 ZINC000865478678 647315989 /nfs/dbraw/zinc/31/59/89/647315989.db2.gz LKDNLUQLIMQZCO-UHFFFAOYSA-N 0 3 273.380 2.283 20 30 CEEDHN CC(=NN[C@@H]1CCCOC1)c1ccccc1N(C)C ZINC000780259570 647406403 /nfs/dbraw/zinc/40/64/03/647406403.db2.gz ALPJVZPVDQNKGD-CYBMUJFWSA-N 0 3 261.369 2.245 20 30 CEEDHN Cn1ncc(CN[C@@H]2Cc3ccc(C#N)cc3C2)c1Cl ZINC000865848505 647491890 /nfs/dbraw/zinc/49/18/90/647491890.db2.gz SXHQLARFFKMEKO-CQSZACIVSA-N 0 3 286.766 2.202 20 30 CEEDHN CCn1cc(CC(=O)C(C#N)c2nc3ccccc3o2)cn1 ZINC000781450740 647527469 /nfs/dbraw/zinc/52/74/69/647527469.db2.gz GHNUYBTXQPSHDN-GFCCVEGCSA-N 0 3 294.314 2.463 20 30 CEEDHN N#Cc1ccc2c(c1)C[C@@H](N[C@@H]1CCCn3ccnc31)C2 ZINC000866616716 647843517 /nfs/dbraw/zinc/84/35/17/647843517.db2.gz SZZGWRXEULLBHE-JKSUJKDBSA-N 0 3 278.359 2.347 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2cc3c([nH]c2=O)CCCC3)C1 ZINC000866642998 647853131 /nfs/dbraw/zinc/85/31/31/647853131.db2.gz QKKHNPURWKQBNT-SMDDNHRTSA-N 0 3 271.364 2.448 20 30 CEEDHN COC(=O)CCCN1CCC(=NNC2CCCCC2)CC1 ZINC000786040729 647980185 /nfs/dbraw/zinc/98/01/85/647980185.db2.gz RDEOVGXEUXRNME-UHFFFAOYSA-N 0 3 295.427 2.314 20 30 CEEDHN C[C@@H](C(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C1CC1 ZINC000787067958 648070175 /nfs/dbraw/zinc/07/01/75/648070175.db2.gz SXWCJTIFSQDPDU-IUODEOHRSA-N 0 3 284.359 2.400 20 30 CEEDHN CN(C)C1(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CCC1 ZINC000787842624 648145632 /nfs/dbraw/zinc/14/56/32/648145632.db2.gz IHZOLDAWCUBEEF-OAHLLOKOSA-N 0 3 283.375 2.146 20 30 CEEDHN COc1cc(CN(C)C)ccc1NC(=O)c1coc(C#N)c1 ZINC000868812822 648274921 /nfs/dbraw/zinc/27/49/21/648274921.db2.gz LWVMCWZGZOKZPW-UHFFFAOYSA-N 0 3 299.330 2.474 20 30 CEEDHN C#CCOc1ccccc1CN[C@H]1CC[C@@H](C(=O)OC)C1 ZINC000792204285 648625190 /nfs/dbraw/zinc/62/51/90/648625190.db2.gz YJRICVSXEBRXTG-HIFRSBDPSA-N 0 3 287.359 2.130 20 30 CEEDHN CN1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CCC1(C)C ZINC000871158016 649018894 /nfs/dbraw/zinc/01/88/94/649018894.db2.gz KBDSRMANHHPOCU-KRWDZBQOSA-N 0 3 289.423 2.403 20 30 CEEDHN CN1CCC[C@H]2[C@H]1CCN2c1ccc(C#N)cc1[N+](=O)[O-] ZINC000872778465 649485973 /nfs/dbraw/zinc/48/59/73/649485973.db2.gz AMJHIXCVGLCZDS-OLZOCXBDSA-N 0 3 286.335 2.139 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CC23CCC3)CC1 ZINC000872880684 649503625 /nfs/dbraw/zinc/50/36/25/649503625.db2.gz IXGASAJLWRLZOH-AWEZNQCLSA-N 0 3 277.412 2.269 20 30 CEEDHN C=CCN(C[C@H]1CCC2(CCOCC2)CO1)[C@@H](C)COC ZINC000878889689 651204272 /nfs/dbraw/zinc/20/42/72/651204272.db2.gz GDHGTBAKPFLJRG-JKSUJKDBSA-N 0 3 297.439 2.485 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC000879217559 651262192 /nfs/dbraw/zinc/26/21/92/651262192.db2.gz ADFSUVMUJRXYRP-RYUDHWBXSA-N 0 3 252.358 2.256 20 30 CEEDHN C=CC(C)(C)CC(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000879307792 651280767 /nfs/dbraw/zinc/28/07/67/651280767.db2.gz DFMJGXWANAHQIM-RYUDHWBXSA-N 0 3 270.442 2.093 20 30 CEEDHN CN(C)CCN(C(=O)c1ccc2c(C#N)c[nH]c2c1)C1CC1 ZINC000879528639 651316968 /nfs/dbraw/zinc/31/69/68/651316968.db2.gz XYVGYXMKLVOPTL-UHFFFAOYSA-N 0 3 296.374 2.206 20 30 CEEDHN C#CCCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586411 651327734 /nfs/dbraw/zinc/32/77/34/651327734.db2.gz LMMCGIBMCYFHHQ-UHFFFAOYSA-N 0 3 253.349 2.094 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](CF)C1 ZINC000880234057 651405352 /nfs/dbraw/zinc/40/53/52/651405352.db2.gz HEUYCKXDQFKTLF-KGLIPLIRSA-N 0 3 270.392 2.481 20 30 CEEDHN C#CCCN1CCC(Cc2ncc(C(=O)OC)s2)CC1 ZINC000880274151 651413804 /nfs/dbraw/zinc/41/38/04/651413804.db2.gz LTVTXIUHTLIQPO-UHFFFAOYSA-N 0 3 292.404 2.208 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](CF)C1 ZINC000880295371 651417982 /nfs/dbraw/zinc/41/79/82/651417982.db2.gz KMNXNTPEBSMIKQ-OLZOCXBDSA-N 0 3 256.365 2.091 20 30 CEEDHN C[C@@H](C#N)OCCN[C@@H](Cn1ccnc1)c1ccccc1 ZINC000880569869 651462030 /nfs/dbraw/zinc/46/20/30/651462030.db2.gz QZFHVSRKYLZTQJ-HOCLYGCPSA-N 0 3 284.363 2.143 20 30 CEEDHN Cc1ccc(N2CCN(C3CCCC3)CC2)c(C#N)n1 ZINC000881793634 651885680 /nfs/dbraw/zinc/88/56/80/651885680.db2.gz RYAYOLLVOPUAOV-UHFFFAOYSA-N 0 3 270.380 2.326 20 30 CEEDHN Cc1nc(C#N)cc(NC[C@H]2CCCCN2C2CC2)n1 ZINC000882269312 652014598 /nfs/dbraw/zinc/01/45/98/652014598.db2.gz KQLZOWZHOUWDLV-CQSZACIVSA-N 0 3 271.368 2.086 20 30 CEEDHN C#CC[C@H](CO)NCc1cn(CC)nc1-c1ccccc1 ZINC000883125888 652370772 /nfs/dbraw/zinc/37/07/72/652370772.db2.gz YDUGVQYLDSZRRC-MRXNPFEDSA-N 0 3 283.375 2.044 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc(OC)c(COCC)c1 ZINC000883157103 652382675 /nfs/dbraw/zinc/38/26/75/652382675.db2.gz MSPNXLASBKUGPR-MRXNPFEDSA-N 0 3 291.391 2.096 20 30 CEEDHN C=C[C@H](CO)NCc1cn(C)nc1-c1cc(F)ccc1F ZINC000883182207 652392138 /nfs/dbraw/zinc/39/21/38/652392138.db2.gz WDZYONGODHCCRP-GFCCVEGCSA-N 0 3 293.317 2.002 20 30 CEEDHN COC[C@H](NCC1(C#N)CCCCC1)[C@H]1CCCOC1 ZINC000883235445 652410040 /nfs/dbraw/zinc/41/00/40/652410040.db2.gz CIJSFBFHMXARAV-GJZGRUSLSA-N 0 3 280.412 2.492 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](CF)C2)CC1 ZINC000883341999 652436739 /nfs/dbraw/zinc/43/67/39/652436739.db2.gz HBICFWMVFDZHMW-AWEZNQCLSA-N 0 3 297.418 2.418 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cnc(C(C)(C)C)nc1 ZINC000883400293 652456728 /nfs/dbraw/zinc/45/67/28/652456728.db2.gz IYEYLBOMBKXUEQ-CYBMUJFWSA-N 0 3 263.385 2.191 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000883400874 652456856 /nfs/dbraw/zinc/45/68/56/652456856.db2.gz XKYXCAFHLXUEGB-SWLSCSKDSA-N 0 3 291.391 2.435 20 30 CEEDHN C[C@@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccccc1 ZINC000884043962 652654686 /nfs/dbraw/zinc/65/46/86/652654686.db2.gz PRTYLPQLNQLKKN-RDAFDQFTSA-N 0 3 283.375 2.003 20 30 CEEDHN CCc1ccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1 ZINC000884047364 652658304 /nfs/dbraw/zinc/65/83/04/652658304.db2.gz PRMFFYHLDWPPBX-XOYHFGRZSA-N 0 3 283.375 2.327 20 30 CEEDHN C[C@@H](c1ccccc1)N(C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884057936 652675244 /nfs/dbraw/zinc/67/52/44/652675244.db2.gz VWJASCQUMUBYDP-OBYFKMTLSA-N 0 3 297.402 2.345 20 30 CEEDHN CC[C@@H]1CCCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC000884145203 652727312 /nfs/dbraw/zinc/72/73/12/652727312.db2.gz FBXHHGZSNSNIOS-HCEZTOJASA-N 0 3 289.423 2.164 20 30 CEEDHN CC[C@@H]1CCC[C@H](NC(=O)C2CC3(C2)CNC[C@@H]3C#N)C1 ZINC000884145015 652727792 /nfs/dbraw/zinc/72/77/92/652727792.db2.gz ZXMYZGLLMRSWTB-GQGDVANPSA-N 0 3 289.423 2.211 20 30 CEEDHN CC[C@@H]1CCC[C@@H](NC(=O)C2CC3(C2)CNC[C@@H]3C#N)C1 ZINC000884145016 652727956 /nfs/dbraw/zinc/72/79/56/652727956.db2.gz ZXMYZGLLMRSWTB-LQCZDEPNSA-N 0 3 289.423 2.211 20 30 CEEDHN CC(C)CC1(CNC(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884173302 652740654 /nfs/dbraw/zinc/74/06/54/652740654.db2.gz RNJOGAICQOMXEZ-UUCFBXCCSA-N 0 3 289.423 2.068 20 30 CEEDHN C=CCCOC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885478546 653013211 /nfs/dbraw/zinc/01/32/11/653013211.db2.gz RDBNXXNLBXWUKK-NSHDSACASA-N 0 3 253.342 2.143 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)n2C)[C@H]1CC ZINC001087499691 805588824 /nfs/dbraw/zinc/58/88/24/805588824.db2.gz FFDJFRQQDMSZJE-UONOGXRCSA-N 0 3 275.396 2.102 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c[nH]nc1CCC ZINC001038439677 805652235 /nfs/dbraw/zinc/65/22/35/805652235.db2.gz UXLOAQJLAGXJKA-ZDUSSCGKSA-N 0 3 290.411 2.133 20 30 CEEDHN C=CCN1CCC[C@@](C)(CNC(=O)Cc2ccoc2)C1 ZINC001270950609 805697661 /nfs/dbraw/zinc/69/76/61/805697661.db2.gz UZMLIOVSFJKRQL-INIZCTEOSA-N 0 3 276.380 2.226 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ncc(C)cc2C)[C@H]1CC ZINC001087666985 805768563 /nfs/dbraw/zinc/76/85/63/805768563.db2.gz YDFWEZQCWJPGRK-LSDHHAIUSA-N 0 3 287.407 2.467 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3C=CCC3)C[C@@H]2C1 ZINC001087878577 805836509 /nfs/dbraw/zinc/83/65/09/805836509.db2.gz DWESFEFZLKTFIP-ZACQAIPSSA-N 0 3 286.419 2.146 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CC=CCC3)C[C@@H]2C1 ZINC001087881337 805836960 /nfs/dbraw/zinc/83/69/60/805836960.db2.gz BAIWFRYRTVPRFO-ZACQAIPSSA-N 0 3 286.419 2.146 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H](C)C3CCC3)C[C@@H]2C1 ZINC001088009633 805880081 /nfs/dbraw/zinc/88/00/81/805880081.db2.gz OARQMQNTLWGUIA-OIISXLGYSA-N 0 3 288.435 2.226 20 30 CEEDHN C#Cc1ccccc1CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(C)C ZINC001029567459 805956955 /nfs/dbraw/zinc/95/69/55/805956955.db2.gz WVODTHYQFOSMJD-HDICACEKSA-N 0 3 296.414 2.294 20 30 CEEDHN C[C@@H](C(=O)N1CCC2(CN(C)C2)CC1)c1ccc(C#N)cc1 ZINC001271787364 806089532 /nfs/dbraw/zinc/08/95/32/806089532.db2.gz PSSBGYVBYDLBIX-CQSZACIVSA-N 0 3 297.402 2.216 20 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/nfs/dbraw/zinc/73/21/25/806732125.db2.gz LURFIFDELQKDNW-HIFRSBDPSA-N 0 3 274.408 2.169 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(C)n1C ZINC001038063533 806755714 /nfs/dbraw/zinc/75/57/14/806755714.db2.gz DCUDCJCSVSWXIP-CQSZACIVSA-N 0 3 275.396 2.104 20 30 CEEDHN C#Cc1ccc(C(=O)N2CC[C@H]3CN(CC=C)C[C@H]32)cc1 ZINC001076117500 806810895 /nfs/dbraw/zinc/81/08/95/806810895.db2.gz LJTWJICXHUDHBA-DLBZAZTESA-N 0 3 280.371 2.000 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C)co3)[C@@H]2C1 ZINC001076152562 806819626 /nfs/dbraw/zinc/81/96/26/806819626.db2.gz PNNXUAFULKZRSA-UONOGXRCSA-N 0 3 274.364 2.310 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(C)nc3C)[C@@H]2C1 ZINC001076599554 806862680 /nfs/dbraw/zinc/86/26/80/806862680.db2.gz UWUCZPSOBJQAQR-DOTOQJQBSA-N 0 3 299.418 2.421 20 30 CEEDHN N#CC(C(=O)CCn1ccc2ccccc21)C(=O)NC1CC1 ZINC000129208257 806960614 /nfs/dbraw/zinc/96/06/14/806960614.db2.gz VGFSWOUMLGPHAE-AWEZNQCLSA-N 0 3 295.342 2.019 20 30 CEEDHN C=CCCCCCN1CCC(O)=C(C(=O)OCC)C1 ZINC001209423453 802521942 /nfs/dbraw/zinc/52/19/42/802521942.db2.gz RFYZAIVQANVDQD-CYBMUJFWSA-N 0 3 267.369 2.187 20 30 CEEDHN C=C(C)C[NH2+][C@@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001266397636 802525342 /nfs/dbraw/zinc/52/53/42/802525342.db2.gz COWWIXJEHOHULF-AWEZNQCLSA-N 0 3 274.364 2.066 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)C1 ZINC001041651042 802642103 /nfs/dbraw/zinc/64/21/03/802642103.db2.gz BDXFYTJZYBHLFP-NUJGCVRESA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(F)(F)F)C1 ZINC001210486521 802692258 /nfs/dbraw/zinc/69/22/58/802692258.db2.gz YCKGBLXSBSWNCO-GHMZBOCLSA-N 0 3 290.329 2.035 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001266559975 802717607 /nfs/dbraw/zinc/71/76/07/802717607.db2.gz VTLZTKQKULGYNY-KGLIPLIRSA-N 0 3 264.413 2.273 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001266573066 802728248 /nfs/dbraw/zinc/72/82/48/802728248.db2.gz HELVIXBFQFPMTK-HUUCEWRRSA-N 0 3 288.391 2.235 20 30 CEEDHN C=C(C)C[NH2+]CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001204528411 802739815 /nfs/dbraw/zinc/73/98/15/802739815.db2.gz WMCCILAEYCFBPO-UHFFFAOYSA-N 0 3 288.391 2.410 20 30 CEEDHN CC(C)OCCN(CCNC(=O)C#CC(C)(C)C)C1CC1 ZINC001266592053 802750105 /nfs/dbraw/zinc/75/01/05/802750105.db2.gz HBYYODWVACLEMW-UHFFFAOYSA-N 0 3 294.439 2.042 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CC12CCC2 ZINC001167379496 802752855 /nfs/dbraw/zinc/75/28/55/802752855.db2.gz CZBBNWVDQNKSQI-NSHDSACASA-N 0 3 256.777 2.025 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)CCC(C)C)C1 ZINC001266739934 802873433 /nfs/dbraw/zinc/87/34/33/802873433.db2.gz HDBSKSHOYDJMSB-HNNXBMFYSA-N 0 3 264.413 2.274 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001038216612 802918937 /nfs/dbraw/zinc/91/89/37/802918937.db2.gz LTHQGXVXXXYPJN-CYBMUJFWSA-N 0 3 250.386 2.189 20 30 CEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)CCCC)C1 ZINC001266894229 802974382 /nfs/dbraw/zinc/97/43/82/802974382.db2.gz YGCPNVWZFQRGPB-KBPBESRZSA-N 0 3 250.386 2.027 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccoc1C ZINC001038039540 803022496 /nfs/dbraw/zinc/02/24/96/803022496.db2.gz KYZUATACHDFELS-ZDUSSCGKSA-N 0 3 262.353 2.358 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)C=C2CCC2)cc1F ZINC001125561579 803059229 /nfs/dbraw/zinc/05/92/29/803059229.db2.gz GZTIIBIVOQIFNG-UHFFFAOYSA-N 0 3 287.338 2.013 20 30 CEEDHN C#CCCCCC(=O)N1CCC[C@@H](N(C)CC#CC)C1 ZINC001267103135 803129863 /nfs/dbraw/zinc/12/98/63/803129863.db2.gz SYRRVBNXQZDWEF-MRXNPFEDSA-N 0 3 274.408 2.126 20 30 CEEDHN CC(C)=C(F)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001125593236 803133101 /nfs/dbraw/zinc/13/31/01/803133101.db2.gz RTSIXQFYJSDYDK-UHFFFAOYSA-N 0 3 293.317 2.167 20 30 CEEDHN C=CCOCCN(C)CCNC(=O)c1c(C)oc(C)c1C ZINC001267206383 803231724 /nfs/dbraw/zinc/23/17/24/803231724.db2.gz YIGFKVJFYPENJD-UHFFFAOYSA-N 0 3 294.395 2.069 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)Cc1cc(F)ccc1F ZINC001267213434 803239089 /nfs/dbraw/zinc/23/90/89/803239089.db2.gz LVXIRIZHCARFGC-UHFFFAOYSA-N 0 3 282.334 2.131 20 30 CEEDHN C=C1CCC(C(=O)NCCN(C)C[C@@H](CC)OC)CC1 ZINC001267214724 803239236 /nfs/dbraw/zinc/23/92/36/803239236.db2.gz BJUCAWZLLHDWJG-OAHLLOKOSA-N 0 3 282.428 2.206 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)C[C@H]1CC(C)(C)CO1 ZINC001267215864 803240183 /nfs/dbraw/zinc/24/01/83/803240183.db2.gz PVQJGIVXLPFHAF-PBHICJAKSA-N 0 3 296.455 2.452 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)C[C@@H]1CC(C)(C)CO1 ZINC001267215869 803240274 /nfs/dbraw/zinc/24/02/74/803240274.db2.gz PVQJGIVXLPFHAF-YOEHRIQHSA-N 0 3 296.455 2.452 20 30 CEEDHN C=CCN(CC)CCNC(=O)[C@H](C)C1CCCC1 ZINC001267254261 803297929 /nfs/dbraw/zinc/29/79/29/803297929.db2.gz IXLLMCNRJMBSOU-CYBMUJFWSA-N 0 3 252.402 2.437 20 30 CEEDHN C=CCOCCN(C)CCNC(=O)C1(C)C(C)(C)C1(C)C ZINC001267233437 803265720 /nfs/dbraw/zinc/26/57/20/803265720.db2.gz OJQCWYKOBUZJOD-UHFFFAOYSA-N 0 3 296.455 2.309 20 30 CEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)/C=C(/C)C1CC1 ZINC001267260270 803302786 /nfs/dbraw/zinc/30/27/86/803302786.db2.gz IOBMZHOQGIRYQO-HECSCLNYSA-N 0 3 292.423 2.126 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](C)c1ccc(C)o1 ZINC001267278896 803324697 /nfs/dbraw/zinc/32/46/97/803324697.db2.gz STTCYYUWJZNUOB-ZIAGYGMSSA-N 0 3 276.380 2.458 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001267299277 803344163 /nfs/dbraw/zinc/34/41/63/803344163.db2.gz WUECGQHCFVWHMX-CVEARBPZSA-N 0 3 274.408 2.194 20 30 CEEDHN C=CCN(CCNC(=O)c1ccc2c(c1)CCN2C)C1CC1 ZINC001267336019 803382566 /nfs/dbraw/zinc/38/25/66/803382566.db2.gz GDLAVGHLZJFXKN-UHFFFAOYSA-N 0 3 299.418 2.059 20 30 CEEDHN C#CCNCCN(C)C(=O)c1cc2ccccc2s1 ZINC001267398874 803458781 /nfs/dbraw/zinc/45/87/81/803458781.db2.gz CCOMXYUKEVPHHB-UHFFFAOYSA-N 0 3 272.373 2.196 20 30 CEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C(C)(F)F ZINC001087270408 803492978 /nfs/dbraw/zinc/49/29/78/803492978.db2.gz ZJJNPZSYWZXGHD-FRRDWIJNSA-N 0 3 298.377 2.270 20 30 CEEDHN C#CCNCCN(C)C(=O)c1sccc1C(C)C ZINC001267473021 803498505 /nfs/dbraw/zinc/49/85/05/803498505.db2.gz FIJQDMAYTNZUFJ-UHFFFAOYSA-N 0 3 264.394 2.166 20 30 CEEDHN C=CCN1CC[C@H](N(CCC)C(=O)Cc2ccc[nH]2)C1 ZINC001267548588 803540687 /nfs/dbraw/zinc/54/06/87/803540687.db2.gz IXRHQMPUOLQTJY-HNNXBMFYSA-N 0 3 275.396 2.056 20 30 CEEDHN C=CC(C)(C)CC(=O)N1CC[C@@H](CN(C)CCF)C1 ZINC001267581858 803567891 /nfs/dbraw/zinc/56/78/91/803567891.db2.gz DVYJLNRCPLKFLQ-ZDUSSCGKSA-N 0 3 270.392 2.339 20 30 CEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)C(C)(C)C2CC2)C1 ZINC001267770560 803722980 /nfs/dbraw/zinc/72/29/80/803722980.db2.gz NIIMHKPSDGIPDN-OAHLLOKOSA-N 0 3 294.439 2.158 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CC[C@H]2CCCO2)C1 ZINC001267780921 803730498 /nfs/dbraw/zinc/73/04/98/803730498.db2.gz XYBKETITZVPTLI-JKSUJKDBSA-N 0 3 294.439 2.445 20 30 CEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN([C@@H](C)COC)C1 ZINC001267937678 803831114 /nfs/dbraw/zinc/83/11/14/803831114.db2.gz RNAOTMJURRGCPA-UONOGXRCSA-N 0 3 282.428 2.204 20 30 CEEDHN CC[C@H](C)[C@H]([NH2+][C@H]1CCc2c(F)cccc2C1)C(=O)N[O-] ZINC001171418824 814983191 /nfs/dbraw/zinc/98/31/91/814983191.db2.gz LGODCAAKCJKAMQ-WBIUFABUSA-N 0 3 294.370 2.193 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccoc2CC)C1 ZINC001027387860 804059656 /nfs/dbraw/zinc/05/96/56/804059656.db2.gz FZZBSSSNLWVBFF-ZDUSSCGKSA-N 0 3 274.364 2.012 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@](C)(C=C)CC)C1 ZINC001027559564 804123114 /nfs/dbraw/zinc/12/31/14/804123114.db2.gz BJZPVLOCQQCYSI-GDBMZVCRSA-N 0 3 262.397 2.145 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC001027593823 804142990 /nfs/dbraw/zinc/14/29/90/804142990.db2.gz QZBSNOJGNARHND-AWEZNQCLSA-N 0 3 298.377 2.368 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)c2ccccc2)C1 ZINC001027655737 804179700 /nfs/dbraw/zinc/17/97/00/804179700.db2.gz BIJLCYRUKCOIRG-NVXWUHKLSA-N 0 3 284.403 2.346 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC001027669925 804188730 /nfs/dbraw/zinc/18/87/30/804188730.db2.gz GIZBPMAKIIADTH-KRWDZBQOSA-N 0 3 296.414 2.274 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(F)cc1 ZINC001027721648 804218841 /nfs/dbraw/zinc/21/88/41/804218841.db2.gz NSCVYNXVBHSPMZ-OAHLLOKOSA-N 0 3 274.339 2.043 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@H](C)CC)CC2 ZINC001268043389 804250294 /nfs/dbraw/zinc/25/02/94/804250294.db2.gz ISIPXEWDMKGQNB-OAHLLOKOSA-N 0 3 276.424 2.370 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001027862740 804305708 /nfs/dbraw/zinc/30/57/08/804305708.db2.gz VOWPMCZDEJZWRB-CYBMUJFWSA-N 0 3 250.386 2.189 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1conc1C(C)C ZINC001027929912 804348584 /nfs/dbraw/zinc/34/85/84/804348584.db2.gz KXNJKKFKLSIPFD-CYBMUJFWSA-N 0 3 289.379 2.016 20 30 CEEDHN CC(C)(C#N)CN[C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336717596 804365717 /nfs/dbraw/zinc/36/57/17/804365717.db2.gz UPAZJTFCHKIABQ-IUCAKERBSA-N 0 3 250.264 2.236 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc2[nH]ccc2n1 ZINC001028024671 804400197 /nfs/dbraw/zinc/40/01/97/804400197.db2.gz QVIFIIZDZZADEL-CYBMUJFWSA-N 0 3 298.390 2.333 20 30 CEEDHN CC[C@H](C)CC(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001126306280 804420829 /nfs/dbraw/zinc/42/08/29/804420829.db2.gz DLELNWCXUSVBHD-LBPRGKRZSA-N 0 3 291.370 2.339 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001028116147 804474172 /nfs/dbraw/zinc/47/41/72/804474172.db2.gz BSUYGBFTDVPOPP-RUXDESIVSA-N 0 3 268.376 2.281 20 30 CEEDHN C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001282094491 804493668 /nfs/dbraw/zinc/49/36/68/804493668.db2.gz IAAQPGQMCXKCPJ-VXGBXAGGSA-N 0 3 262.353 2.065 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1CC=C(C)C ZINC001028147373 804496004 /nfs/dbraw/zinc/49/60/04/804496004.db2.gz WDJHKOWWCTVMMF-OAGGEKHMSA-N 0 3 292.423 2.124 20 30 CEEDHN C=CCCC(=O)N[C@H](C)[C@@H](C)NCc1cnc(C)s1 ZINC001282096634 804496810 /nfs/dbraw/zinc/49/68/10/804496810.db2.gz KLXLMTGHURJENP-GHMZBOCLSA-N 0 3 281.425 2.401 20 30 CEEDHN C=CCCC(=O)N1CCC[C@@H](NCc2cncc(C)c2)C1 ZINC001207635678 804553087 /nfs/dbraw/zinc/55/30/87/804553087.db2.gz LMXOUHYVQHLDNE-MRXNPFEDSA-N 0 3 287.407 2.437 20 30 CEEDHN C=CCCC(=O)N[C@H]1CCC[C@@H]1CNCc1cnc(C)o1 ZINC001268271345 804589460 /nfs/dbraw/zinc/58/94/60/804589460.db2.gz MPRMRLBAVLOCRS-HIFRSBDPSA-N 0 3 291.395 2.324 20 30 CEEDHN C[C@@H](CCNCc1ccccc1C#N)NC(=O)c1ccoc1 ZINC001268346479 804621644 /nfs/dbraw/zinc/62/16/44/804621644.db2.gz ROWPHXUYHIMWCA-ZDUSSCGKSA-N 0 3 297.358 2.449 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1oc(CC)cc1C ZINC001028264673 804639678 /nfs/dbraw/zinc/63/96/78/804639678.db2.gz MLLXCOIPBBWDCJ-CQSZACIVSA-N 0 3 288.391 2.368 20 30 CEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cncc(CC)c1 ZINC001268386360 804645271 /nfs/dbraw/zinc/64/52/71/804645271.db2.gz VCSYIIGOBBWYQZ-LBPRGKRZSA-N 0 3 295.814 2.495 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)CC2CCCC2)C1 ZINC001149081832 815028840 /nfs/dbraw/zinc/02/88/40/815028840.db2.gz FQVSRJJYOFHQQX-INIZCTEOSA-N 0 3 294.439 2.350 20 30 CEEDHN CCCC(=O)N(CC)CCNCc1ccc(C#N)s1 ZINC001268428183 804666724 /nfs/dbraw/zinc/66/67/24/804666724.db2.gz DGVLZVRCOWCROC-UHFFFAOYSA-N 0 3 279.409 2.358 20 30 CEEDHN C=CCCC(=O)N(CC)CCNCc1cccc(C#N)c1 ZINC001268441556 804673703 /nfs/dbraw/zinc/67/37/03/804673703.db2.gz VRCUXJXGTINMDS-UHFFFAOYSA-N 0 3 285.391 2.463 20 30 CEEDHN C#Cc1ccc(C(=O)N(CC)CCNC/C=C\Cl)cc1 ZINC001268468718 804712222 /nfs/dbraw/zinc/71/22/22/804712222.db2.gz GFZZQMNMJZNTKZ-YHYXMXQVSA-N 0 3 290.794 2.472 20 30 CEEDHN C#CCNC/C=C/CNC(=O)c1cc(C(F)F)ccc1F ZINC001268538123 804810041 /nfs/dbraw/zinc/81/00/41/804810041.db2.gz GGXKGTXWSVOQLU-ONEGZZNKSA-N 0 3 296.292 2.272 20 30 CEEDHN N#CCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000426410478 804815573 /nfs/dbraw/zinc/81/55/73/804815573.db2.gz JBAUASPMGIPRDQ-HNNXBMFYSA-N 0 3 286.379 2.036 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccoc2Cl)C1 ZINC001028508372 804817555 /nfs/dbraw/zinc/81/75/55/804817555.db2.gz QMMBZSASOJRGQL-LLVKDONJSA-N 0 3 280.755 2.008 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2cccc(C)c2F)C1 ZINC001028557717 804836783 /nfs/dbraw/zinc/83/67/83/804836783.db2.gz SDSLVAJJEGAJOU-CQSZACIVSA-N 0 3 288.366 2.209 20 30 CEEDHN CC#CCNC/C=C/CNC(=O)CC1CC(C)(C)C1 ZINC001268581899 804849719 /nfs/dbraw/zinc/84/97/19/804849719.db2.gz CSVYRZMDSZFFPQ-VOTSOKGWSA-N 0 3 262.397 2.098 20 30 CEEDHN CC#CCNC/C=C/CNC(=O)C1CCC=CCC1 ZINC001268629737 804896441 /nfs/dbraw/zinc/89/64/41/804896441.db2.gz ZFRALTZKBFKEBY-CMDGGOBGSA-N 0 3 260.381 2.018 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001028624843 804916051 /nfs/dbraw/zinc/91/60/51/804916051.db2.gz IJICFWXRLNAICR-CABCVRRESA-N 0 3 274.408 2.028 20 30 CEEDHN C[C@@H](CNCc1ccc(Cl)s1)NC(=O)C#CC1CC1 ZINC001268686161 804928269 /nfs/dbraw/zinc/92/82/69/804928269.db2.gz RTFQAPCVBWAFCL-JTQLQIEISA-N 0 3 296.823 2.409 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)Cc2ccccc2)C1 ZINC001269078590 805042448 /nfs/dbraw/zinc/04/24/48/805042448.db2.gz KABDWFZBNCQRJR-KRWDZBQOSA-N 0 3 298.430 2.469 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cccc(C(C)C)n2)C1 ZINC001028665290 805050691 /nfs/dbraw/zinc/05/06/91/805050691.db2.gz ZTXZSSNSCKGMCF-HNNXBMFYSA-N 0 3 299.418 2.280 20 30 CEEDHN C=CCOCCN1CC[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC001269193906 805073926 /nfs/dbraw/zinc/07/39/26/805073926.db2.gz WCWCYXROKHBICA-MRXNPFEDSA-N 0 3 292.423 2.126 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)C(C)(C)C(F)(F)F ZINC001269330159 805132193 /nfs/dbraw/zinc/13/21/93/805132193.db2.gz ADABJGRQXBCMDS-JTQLQIEISA-N 0 3 278.318 2.342 20 30 CEEDHN C#CCCCC(=O)N1CCCC[C@@H]1[C@H]1CCN(CC#C)C1 ZINC001269558264 805199499 /nfs/dbraw/zinc/19/94/99/805199499.db2.gz XLTXXPPRGHMVDU-DLBZAZTESA-N 0 3 286.419 2.126 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OCC ZINC001269580099 805204575 /nfs/dbraw/zinc/20/45/75/805204575.db2.gz RZCSITOZMKWRLC-KFWWJZLASA-N 0 3 280.412 2.053 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3c(C)ccn3C)[C@@H]2C1 ZINC001075729137 805343948 /nfs/dbraw/zinc/34/39/48/805343948.db2.gz PIFVSLCHCVXYLV-LSDHHAIUSA-N 0 3 287.407 2.056 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2cc(CC)c(CC)o2)C1 ZINC001028931185 805366061 /nfs/dbraw/zinc/36/60/61/805366061.db2.gz MKVOTPHXSQRQQI-CYBMUJFWSA-N 0 3 288.391 2.089 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2c(C)csc2Cl)C1 ZINC001028953532 805382132 /nfs/dbraw/zinc/38/21/32/805382132.db2.gz IFAMBXAZYAYTAA-NSHDSACASA-N 0 3 296.823 2.395 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)C2CCC(C3CC3)CC2)C1 ZINC001028961815 805387192 /nfs/dbraw/zinc/38/71/92/805387192.db2.gz GPSAJWFXAZABNL-OOHWJJMZSA-N 0 3 288.435 2.274 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001038421405 805421257 /nfs/dbraw/zinc/42/12/57/805421257.db2.gz CWLPCSXZPOCXFM-CQSZACIVSA-N 0 3 275.396 2.402 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ncsc1C1CC1 ZINC001119362749 815099541 /nfs/dbraw/zinc/09/95/41/815099541.db2.gz IHFJNZMCZVDFJV-SNVBAGLBSA-N 0 3 278.381 2.370 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c[nH]nc2C2CC2)[C@H]1C ZINC001088954257 807293336 /nfs/dbraw/zinc/29/33/36/807293336.db2.gz OVHIAFFCCNUVJN-RISCZKNCSA-N 0 3 288.395 2.056 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cccnc1 ZINC001121930406 807535735 /nfs/dbraw/zinc/53/57/35/807535735.db2.gz HFUAZUPHJYYOEN-HUUCEWRRSA-N 0 3 273.380 2.429 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N(CC)Cc1ccncc1 ZINC001122025808 807574815 /nfs/dbraw/zinc/57/48/15/807574815.db2.gz ISUKAZLZRGQOAU-CQSZACIVSA-N 0 3 261.369 2.114 20 30 CEEDHN COc1cc(C#N)cc(C)c1OC1CCN(C)CC1 ZINC001234862344 807722415 /nfs/dbraw/zinc/72/24/15/807722415.db2.gz HRVIMIYSGVQPJC-UHFFFAOYSA-N 0 3 260.337 2.348 20 30 CEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C1(CF)CC1 ZINC001099229969 807756053 /nfs/dbraw/zinc/75/60/53/807756053.db2.gz OFGMWQHOEJYQAC-AWEZNQCLSA-N 0 3 294.414 2.366 20 30 CEEDHN C=CCCCN1C[C@@H](NC(=O)C2CC(C)(C)C2)[C@H](OC)C1 ZINC001212203488 807786970 /nfs/dbraw/zinc/78/69/70/807786970.db2.gz PDVMHEPVVBRJEN-HUUCEWRRSA-N 0 3 294.439 2.204 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001127519078 808024065 /nfs/dbraw/zinc/02/40/65/808024065.db2.gz FGEAHYFZTZNGQF-CVEARBPZSA-N 0 3 284.403 2.155 20 30 CEEDHN C[C@H]1CCCN(C(=O)CCNCC#Cc2ccccc2)C1 ZINC001119942940 815174045 /nfs/dbraw/zinc/17/40/45/815174045.db2.gz HFVYSPKUOUIIOD-INIZCTEOSA-N 0 3 284.403 2.276 20 30 CEEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC ZINC001089748456 808113516 /nfs/dbraw/zinc/11/35/16/808113516.db2.gz RMHACCZNCHCJLE-FQUUOJAGSA-N 0 3 282.815 2.318 20 30 CEEDHN C[C@@H]1C[C@@H]1CN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001272691573 808158575 /nfs/dbraw/zinc/15/85/75/808158575.db2.gz GMWOKNFUJZOBEH-BFYDXBDKSA-N 0 3 289.423 2.403 20 30 CEEDHN C#CCCN1CC(CNC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001031862658 808174403 /nfs/dbraw/zinc/17/44/03/808174403.db2.gz KHRMZMRRQSRJHK-PKOBYXMFSA-N 0 3 296.414 2.036 20 30 CEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1[nH]cc(C)c1C ZINC001272706387 808219742 /nfs/dbraw/zinc/21/97/42/808219742.db2.gz UWDPIBYALFIBTL-HZPDHXFCSA-N 0 3 287.407 2.383 20 30 CEEDHN C#CCCN1CC(CNC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001032001965 808237828 /nfs/dbraw/zinc/23/78/28/808237828.db2.gz SNWOJALAKSKOSG-UHFFFAOYSA-N 0 3 294.757 2.164 20 30 CEEDHN C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107338074 808424308 /nfs/dbraw/zinc/42/43/08/808424308.db2.gz KZDAXSOIYIJZRT-ZQAKPZPDSA-N 0 3 295.814 2.259 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CC1 ZINC001032337136 808474921 /nfs/dbraw/zinc/47/49/21/808474921.db2.gz RXFDSPRJLCKVNR-QEJZJMRPSA-N 0 3 262.397 2.284 20 30 CEEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)CC ZINC001098839157 808587425 /nfs/dbraw/zinc/58/74/25/808587425.db2.gz FZKGMJDKVXOUCX-AWEZNQCLSA-N 0 3 282.428 2.206 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)C(C)(C)C(F)(F)F ZINC001171689655 815220370 /nfs/dbraw/zinc/22/03/70/815220370.db2.gz YHZMGEQHKHLKEY-UHFFFAOYSA-N 0 3 286.725 2.423 20 30 CEEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)C2(C)CC2)C1 ZINC001107959975 808621330 /nfs/dbraw/zinc/62/13/30/808621330.db2.gz UWJIUWLMYBKCRP-RHSMWYFYSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCC1 ZINC001032568573 808705361 /nfs/dbraw/zinc/70/53/61/808705361.db2.gz FYWHICYYLRVZTE-KBPBESRZSA-N 0 3 262.397 2.428 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CC2(C)C)C1 ZINC000998643968 808758131 /nfs/dbraw/zinc/75/81/31/808758131.db2.gz XDOOJOLVPOMLSW-HTAVTVPLSA-N 0 3 270.804 2.364 20 30 CEEDHN CC(C)(C)C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001171792036 815237105 /nfs/dbraw/zinc/23/71/05/815237105.db2.gz DGNTYCNIIKKSSO-UHFFFAOYSA-N 0 3 291.370 2.339 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccn1CC ZINC001032785442 808866696 /nfs/dbraw/zinc/86/66/96/808866696.db2.gz GLGWWCZQPKTTGN-GJZGRUSLSA-N 0 3 287.407 2.373 20 30 CEEDHN CC#CC[NH2+]C1CC2(CC(NC(=O)c3ccccc3[O-])C2)C1 ZINC001120651359 815251837 /nfs/dbraw/zinc/25/18/37/815251837.db2.gz VADVRUBIRXWHDE-UHFFFAOYSA-N 0 3 298.386 2.046 20 30 CEEDHN C=C(Cl)C(C)(C)C(=O)NCCNCc1cccnc1 ZINC001128208504 808995341 /nfs/dbraw/zinc/99/53/41/808995341.db2.gz DBQMNDILLGLUMT-UHFFFAOYSA-N 0 3 281.787 2.066 20 30 CEEDHN CC#CCNCCNC(=O)c1ccc(CCC)s1 ZINC001128335135 809027169 /nfs/dbraw/zinc/02/71/69/809027169.db2.gz ROYQKOBNDIJRFJ-UHFFFAOYSA-N 0 3 264.394 2.043 20 30 CEEDHN C#CCN1CC[C@@]2(CCCN2Cc2ccc(C)cc2)C1=O ZINC001272971406 809029916 /nfs/dbraw/zinc/02/99/16/809029916.db2.gz ICDYQBQKRUKKDE-SFHVURJKSA-N 0 3 282.387 2.195 20 30 CEEDHN C=C(C)CCC(=O)NCCNCc1ccc(C)nc1C ZINC001128404845 809045094 /nfs/dbraw/zinc/04/50/94/809045094.db2.gz FRLMRRFBSFYQNR-UHFFFAOYSA-N 0 3 275.396 2.261 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccsc2)C1 ZINC001032880389 809106787 /nfs/dbraw/zinc/10/67/87/809106787.db2.gz NOGWJFIDSLAYQC-CQSZACIVSA-N 0 3 278.421 2.399 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CCNCc2ocnc2C)C1 ZINC001273010243 809113708 /nfs/dbraw/zinc/11/37/08/809113708.db2.gz JPUSBRKLVUCGFF-LBPRGKRZSA-N 0 3 291.395 2.324 20 30 CEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2scnc2C)C1 ZINC001032929086 809122314 /nfs/dbraw/zinc/12/23/14/809122314.db2.gz QGVUVOBNBVDPOK-LBPRGKRZSA-N 0 3 279.409 2.174 20 30 CEEDHN C#CCNC1(CNC(=O)CC(C)(C)CC)CCC1 ZINC001273090903 809206260 /nfs/dbraw/zinc/20/62/60/809206260.db2.gz NVFPTDVILHNKPP-UHFFFAOYSA-N 0 3 250.386 2.074 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C(=O)CC2CC(F)(F)C2)C1 ZINC001033205127 809235203 /nfs/dbraw/zinc/23/52/03/809235203.db2.gz BZYPSHLMYYJDRY-GFCCVEGCSA-N 0 3 272.339 2.141 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)c(C)cn2)C1 ZINC001033285030 809258253 /nfs/dbraw/zinc/25/82/53/809258253.db2.gz GSEYVFJKJOOMJN-HNNXBMFYSA-N 0 3 287.407 2.421 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001033419316 809293197 /nfs/dbraw/zinc/29/31/97/809293197.db2.gz ZXAKZHVSQFUHEY-ZIAGYGMSSA-N 0 3 298.377 2.368 20 30 CEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2conc2C2CC2)C1 ZINC001033416954 809294802 /nfs/dbraw/zinc/29/48/02/809294802.db2.gz RXRMNYOOKSXZMI-ZDUSSCGKSA-N 0 3 289.379 2.274 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001033489314 809321154 /nfs/dbraw/zinc/32/11/54/809321154.db2.gz GWDPLKNUDVHJIA-QLFBSQMISA-N 0 3 262.397 2.141 20 30 CEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2ccc(OC)o2)C1 ZINC001033530543 809330355 /nfs/dbraw/zinc/33/03/55/809330355.db2.gz QPRCCKMMPMYQQU-GFCCVEGCSA-N 0 3 278.352 2.011 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c[nH]c3cccnc23)C1 ZINC001033586681 809348435 /nfs/dbraw/zinc/34/84/35/809348435.db2.gz ZBOLXCATMHWTEO-CYBMUJFWSA-N 0 3 298.390 2.285 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001033599963 809352563 /nfs/dbraw/zinc/35/25/63/809352563.db2.gz VJELITCUAZSERY-OKZBNKHCSA-N 0 3 296.414 2.346 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccccc2OC)C1 ZINC001033608971 809360800 /nfs/dbraw/zinc/36/08/00/809360800.db2.gz JFIZVBPKLKPBSI-CQSZACIVSA-N 0 3 288.391 2.418 20 30 CEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2sccc2OC)C1 ZINC001033608790 809361158 /nfs/dbraw/zinc/36/11/58/809361158.db2.gz DUONDDNEVWDVIZ-GFCCVEGCSA-N 0 3 294.420 2.479 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cnn(CC)c2)C1 ZINC001033786647 809414867 /nfs/dbraw/zinc/41/48/67/809414867.db2.gz WJSVDAFNYYHZEZ-HNNXBMFYSA-N 0 3 290.411 2.016 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C)nc(C)c2)C1 ZINC001033841949 809432430 /nfs/dbraw/zinc/43/24/30/809432430.db2.gz DPMJZTDQZWHKTB-QGZVFWFLSA-N 0 3 299.418 2.258 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CC23CCC3)C1 ZINC001033971317 809467800 /nfs/dbraw/zinc/46/78/00/809467800.db2.gz IPOIUQRRVUFXTL-LSDHHAIUSA-N 0 3 274.408 2.123 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2cccs2)C1 ZINC001034074847 809501035 /nfs/dbraw/zinc/50/10/35/809501035.db2.gz ZVXQQJUPDLODFV-ZDUSSCGKSA-N 0 3 278.421 2.447 20 30 CEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cccc(F)c2)C1 ZINC001034081552 809503918 /nfs/dbraw/zinc/50/39/18/809503918.db2.gz VRCKROSJEPEYHV-INIZCTEOSA-N 0 3 288.366 2.433 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2c(C)noc2C)C1 ZINC001034097609 809510757 /nfs/dbraw/zinc/51/07/57/809510757.db2.gz KDHVWSODLJXYID-AWEZNQCLSA-N 0 3 291.395 2.452 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC001034142528 809523384 /nfs/dbraw/zinc/52/33/84/809523384.db2.gz MLIYZRUHPLNUOK-CQSZACIVSA-N 0 3 290.411 2.187 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2C=C)C1 ZINC001034213742 809553747 /nfs/dbraw/zinc/55/37/47/809553747.db2.gz 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/nfs/dbraw/zinc/34/43/50/815344350.db2.gz IWBBKRSHJLVZHL-UONOGXRCSA-N 0 3 289.427 2.120 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC001079420260 810209363 /nfs/dbraw/zinc/20/93/63/810209363.db2.gz TWJZIKWEDOBQNR-IUODEOHRSA-N 0 3 273.380 2.016 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001014938978 810245192 /nfs/dbraw/zinc/24/51/92/810245192.db2.gz ZHUKNJNDLVHEBZ-SJLPKXTDSA-N 0 3 296.414 2.320 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001080499198 810283815 /nfs/dbraw/zinc/28/38/15/810283815.db2.gz LRVWWLCQWHNNNG-CXAGYDPISA-N 0 3 284.403 2.024 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001015382641 810284033 /nfs/dbraw/zinc/28/40/33/810284033.db2.gz QOVWFXVKCZYEBA-CQSZACIVSA-N 0 3 298.390 2.023 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001015366973 810284886 /nfs/dbraw/zinc/28/48/86/810284886.db2.gz SMKDOSCGFXDOGC-JONQDZQNSA-N 0 3 274.408 2.027 20 30 CEEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001080555703 810292780 /nfs/dbraw/zinc/29/27/80/810292780.db2.gz JVCODKIUZCEYMQ-TZMCWYRMSA-N 0 3 291.395 2.424 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001015568014 810307918 /nfs/dbraw/zinc/30/79/18/810307918.db2.gz DGAKDNAHZQNASD-CHWSQXEVSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001015634469 810321571 /nfs/dbraw/zinc/32/15/71/810321571.db2.gz PFWUUJQARLIMCU-GDBMZVCRSA-N 0 3 270.376 2.093 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001081023570 810323319 /nfs/dbraw/zinc/32/33/19/810323319.db2.gz XTSKVVQPLYECSW-UKRRQHHQSA-N 0 3 288.391 2.476 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CC23CC3)C[C@H]1c1ccccc1 ZINC001081187579 810334814 /nfs/dbraw/zinc/33/48/14/810334814.db2.gz NFLMDYJDCFASLU-GVDBMIGSSA-N 0 3 294.398 2.004 20 30 CEEDHN CCN1CCN([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172309939 815364046 /nfs/dbraw/zinc/36/40/46/815364046.db2.gz YELKHRJFEULDBM-AWEZNQCLSA-N 0 3 257.381 2.127 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)C=C2CCCCC2)[C@H](OC)C1 ZINC001081418201 810339275 /nfs/dbraw/zinc/33/92/75/810339275.db2.gz KFYKJASHMOKKRZ-HZPDHXFCSA-N 0 3 292.423 2.268 20 30 CEEDHN COc1nccc(CN[C@H](C)Cc2ccc(C#N)cc2)n1 ZINC001172301538 815362676 /nfs/dbraw/zinc/36/26/76/815362676.db2.gz QHLRDALRVFZOIS-GFCCVEGCSA-N 0 3 282.347 2.078 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1c(C)nn(CC)c1C ZINC001121882275 815363155 /nfs/dbraw/zinc/36/31/55/815363155.db2.gz FQUGMXIAPJAILH-LBPRGKRZSA-N 0 3 264.373 2.142 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001015806160 810356413 /nfs/dbraw/zinc/35/64/13/810356413.db2.gz SILVTAPMMRCMEC-XOYOTBSWSA-N 0 3 296.414 2.339 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001015831563 810363340 /nfs/dbraw/zinc/36/33/40/810363340.db2.gz CFUQAQZDJSVEGR-GFCCVEGCSA-N 0 3 293.436 2.394 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2csc(Cl)n2)C1 ZINC001015950522 810377661 /nfs/dbraw/zinc/37/76/61/810377661.db2.gz DLAKKUDTBRWJOT-SECBINFHSA-N 0 3 285.800 2.177 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC001172319740 815370140 /nfs/dbraw/zinc/37/01/40/815370140.db2.gz QURGMAQYEWNDGQ-CXAGYDPISA-N 0 3 299.374 2.064 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001016008597 810387955 /nfs/dbraw/zinc/38/79/55/810387955.db2.gz KJKDQVMJWZDPOR-GOSISDBHSA-N 0 3 294.398 2.473 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)/C=C/c2ccc[nH]2)C1 ZINC001276368575 810388974 /nfs/dbraw/zinc/38/89/74/810388974.db2.gz KIJKHRCOTZJXHR-KTRBRXNASA-N 0 3 273.380 2.041 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001016153922 810403839 /nfs/dbraw/zinc/40/38/39/810403839.db2.gz RDYLMRXSHVOVDL-HNNXBMFYSA-N 0 3 270.376 2.131 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC001016153923 810404752 /nfs/dbraw/zinc/40/47/52/810404752.db2.gz RDYLMRXSHVOVDL-OAHLLOKOSA-N 0 3 270.376 2.131 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001016288530 810420739 /nfs/dbraw/zinc/42/07/39/810420739.db2.gz ATEGIMLMAAEOMU-LBPRGKRZSA-N 0 3 279.409 2.140 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001016332151 810425644 /nfs/dbraw/zinc/42/56/44/810425644.db2.gz CAQQFIBSIBIXRD-LBPRGKRZSA-N 0 3 293.436 2.015 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001016383556 810431468 /nfs/dbraw/zinc/43/14/68/810431468.db2.gz JMZUODFUTZRWDA-YMAMQOFZSA-N 0 3 276.424 2.273 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccoc3C)[C@@H]2C1 ZINC001084177524 810443229 /nfs/dbraw/zinc/44/32/29/810443229.db2.gz IMOGRXRCRLHOEQ-UKRRQHHQSA-N 0 3 274.364 2.310 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CC2CCCC2)CC1 ZINC001016488603 810445633 /nfs/dbraw/zinc/44/56/33/810445633.db2.gz HZBSRHXWLBEKDC-HNNXBMFYSA-N 0 3 274.408 2.171 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2CC=CCC2)CC1 ZINC001016500154 810445847 /nfs/dbraw/zinc/44/58/47/810445847.db2.gz MRHCWCZWLCMBLR-HZPDHXFCSA-N 0 3 286.419 2.337 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)C3CC3)[C@@H]2C1 ZINC001084257514 810452673 /nfs/dbraw/zinc/45/26/73/810452673.db2.gz DKRDOJWSPXEAER-NWANDNLSSA-N 0 3 262.397 2.141 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H](C)C2CC2)CC1 ZINC001016565309 810453341 /nfs/dbraw/zinc/45/33/41/810453341.db2.gz NTMHLWVPOYPYOP-DZGCQCFKSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001016654974 810460388 /nfs/dbraw/zinc/46/03/88/810460388.db2.gz SNWFREFRMVMPQL-QWHCGFSZSA-N 0 3 296.361 2.026 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C(C)=C3CCC3)[C@@H]2C1 ZINC001084335335 810464115 /nfs/dbraw/zinc/46/41/15/810464115.db2.gz FHMFEEAWYUEKOX-HZPDHXFCSA-N 0 3 272.392 2.043 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCCO1 ZINC001017370098 810515874 /nfs/dbraw/zinc/51/58/74/810515874.db2.gz BVTMCVRXMDOUQI-XHSDSOJGSA-N 0 3 292.423 2.197 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCO1 ZINC001017483157 810526463 /nfs/dbraw/zinc/52/64/63/810526463.db2.gz OYVMCJIVIYSBKQ-OWCLPIDISA-N 0 3 292.423 2.197 20 30 CEEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)c1ccco1 ZINC001273243129 810544553 /nfs/dbraw/zinc/54/45/53/810544553.db2.gz MXCINDQTAHDOBZ-UHFFFAOYSA-N 0 3 297.358 2.403 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[C@@H]1CCCO1 ZINC001017921199 810573080 /nfs/dbraw/zinc/57/30/80/810573080.db2.gz BKHRACCNBNUSSS-WCVJEAGWSA-N 0 3 292.423 2.053 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)on1 ZINC001085124505 810606538 /nfs/dbraw/zinc/60/65/38/810606538.db2.gz XCCXSDNGDPCHFB-VXGBXAGGSA-N 0 3 297.786 2.366 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(F)ccc1O ZINC001122120906 815386814 /nfs/dbraw/zinc/38/68/14/815386814.db2.gz WCTMLXNBRFBXIO-SNVBAGLBSA-N 0 3 252.289 2.153 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@H](CO)c1ccccn1 ZINC001172297699 815388084 /nfs/dbraw/zinc/38/80/84/815388084.db2.gz RRJALSADQMOWGG-SUMWQHHRSA-N 0 3 281.359 2.207 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@H](C)CC2CCCC2)C1 ZINC001019463530 810712109 /nfs/dbraw/zinc/71/21/09/810712109.db2.gz FWTYASREAFWDIW-HIFRSBDPSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001019562532 810719978 /nfs/dbraw/zinc/71/99/78/810719978.db2.gz HAZAVFKHBGQBNW-JYJNAYRXSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001019842971 810745636 /nfs/dbraw/zinc/74/56/36/810745636.db2.gz PXZBPPBETNIIMR-KBPBESRZSA-N 0 3 262.397 2.027 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2cccs2)C1 ZINC001019942832 810750971 /nfs/dbraw/zinc/75/09/71/810750971.db2.gz ITGMZJSBUVPWAL-XYPYZODXSA-N 0 3 284.812 2.280 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001020058470 810764598 /nfs/dbraw/zinc/76/45/98/810764598.db2.gz JREGICZQCOMYEL-MGCOHNPYSA-N 0 3 278.730 2.021 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC001020077956 810766248 /nfs/dbraw/zinc/76/62/48/810766248.db2.gz OKGVMQHNFNXCSQ-AVGNSLFASA-N 0 3 281.787 2.038 20 30 CEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000119670672 810782082 /nfs/dbraw/zinc/78/20/82/810782082.db2.gz ZMZUAGOAMQNRHS-JHJVBQTASA-N 0 3 286.331 2.151 20 30 CEEDHN CC1/C(=C/c2ccnn2CC2CCC2)C(=O)c2ncnn21 ZINC000828330311 810804675 /nfs/dbraw/zinc/80/46/75/810804675.db2.gz GDHXYCULVYOEQV-QVASGMJFSA-N 0 3 283.335 2.116 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1oc(C)nc1C ZINC001085530021 810811673 /nfs/dbraw/zinc/81/16/73/810811673.db2.gz NUEJQVKVMVSZCA-CQSZACIVSA-N 0 3 291.395 2.404 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1CCC(=C)C ZINC001038265732 810814428 /nfs/dbraw/zinc/81/44/28/810814428.db2.gz GUUNLUSXWDQEFC-XHSDSOJGSA-N 0 3 292.423 2.124 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(CC)ccn1 ZINC001038290243 810819330 /nfs/dbraw/zinc/81/93/30/810819330.db2.gz UZMNPDVQCQEYMQ-OAHLLOKOSA-N 0 3 287.407 2.414 20 30 CEEDHN C=CCn1cccc1C(=O)NC[C@@H]1CCN1CC1CCC1 ZINC001038345581 810827156 /nfs/dbraw/zinc/82/71/56/810827156.db2.gz PRCZOMMKPKMYMJ-HNNXBMFYSA-N 0 3 287.407 2.278 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cncc(CC)c1 ZINC001038523357 810856231 /nfs/dbraw/zinc/85/62/31/810856231.db2.gz OXJPGCDEPGFIKO-INIZCTEOSA-N 0 3 287.407 2.414 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001038609885 810873104 /nfs/dbraw/zinc/87/31/04/810873104.db2.gz FYSPPYUDOKDKCO-QWHCGFSZSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccn2cncc2c1 ZINC001085699478 810881455 /nfs/dbraw/zinc/88/14/55/810881455.db2.gz OREIRSPNNICDFW-OAHLLOKOSA-N 0 3 298.390 2.057 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001085736559 810892373 /nfs/dbraw/zinc/89/23/73/810892373.db2.gz NVCILWNOMVLYDZ-IIAWOOMASA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1cncs1 ZINC001122378197 815407073 /nfs/dbraw/zinc/40/70/73/815407073.db2.gz XXIYEDPBEMTCSM-NXEZZACHSA-N 0 3 253.371 2.004 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnn2ccccc12 ZINC001038821120 810923871 /nfs/dbraw/zinc/92/38/71/810923871.db2.gz XOTPSGZALXBDEF-AWEZNQCLSA-N 0 3 298.390 2.105 20 30 CEEDHN CC(C)O[C@@]1(CNCC#Cc2ccccc2)CCOC1 ZINC000722356518 810924651 /nfs/dbraw/zinc/92/46/51/810924651.db2.gz JUHPSQYZLJYLFZ-QGZVFWFLSA-N 0 3 273.376 2.212 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001038864797 810931455 /nfs/dbraw/zinc/93/14/55/810931455.db2.gz RAVVOFYSZSPTFI-CYBMUJFWSA-N 0 3 273.380 2.272 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC001085826445 810931638 /nfs/dbraw/zinc/93/16/38/810931638.db2.gz OZJFTHZVJPCNOR-RBSFLKMASA-N 0 3 280.412 2.053 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cncc(Cl)c1 ZINC001085874028 810950952 /nfs/dbraw/zinc/95/09/52/810950952.db2.gz PDTLVQPUGJPYBH-AWEZNQCLSA-N 0 3 293.798 2.457 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1[nH]nc2ccccc21 ZINC001038978671 810962221 /nfs/dbraw/zinc/96/22/21/810962221.db2.gz GMIJHNNBUSMIBC-ZDUSSCGKSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1C(F)(F)F ZINC001122441742 815412434 /nfs/dbraw/zinc/41/24/34/815412434.db2.gz GUPDBQWHZURKHV-UWVGGRQHSA-N 0 3 264.291 2.223 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001039069592 810979924 /nfs/dbraw/zinc/97/99/24/810979924.db2.gz HKDRAFLMVDZMRU-PHPOFCCKSA-N 0 3 288.435 2.435 20 30 CEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2c[nH]cc2C)C1 ZINC001039244387 811000792 /nfs/dbraw/zinc/00/07/92/811000792.db2.gz YDNHRESHCKNCPW-DOTOQJQBSA-N 0 3 299.418 2.273 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C ZINC001039331577 811010736 /nfs/dbraw/zinc/01/07/36/811010736.db2.gz UIORFWQYGANENV-CABCVRRESA-N 0 3 286.375 2.290 20 30 CEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CCOCC1 ZINC001039348006 811013833 /nfs/dbraw/zinc/01/38/33/811013833.db2.gz ZOYSUQHASFUGLS-CVEARBPZSA-N 0 3 292.423 2.054 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1C=CC=CC=C1 ZINC001039383125 811021892 /nfs/dbraw/zinc/02/18/92/811021892.db2.gz WNGVXZCEERZUNK-MSOLQXFVSA-N 0 3 296.414 2.373 20 30 CEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H](F)CC)C2)C1 ZINC001040330670 811102184 /nfs/dbraw/zinc/10/21/84/811102184.db2.gz IDXVOLKNGAGPNN-GDBMZVCRSA-N 0 3 280.387 2.072 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C(C)(C)C3CC3)C2)C1 ZINC001040336097 811105025 /nfs/dbraw/zinc/10/50/25/811105025.db2.gz GFAGCLFHOZCZEY-SFHVURJKSA-N 0 3 288.435 2.370 20 30 CEEDHN CC(=O)N1CC[C@@]2(CCN(Cc3ccc(C#N)cc3)C2)C1 ZINC001040966878 811129598 /nfs/dbraw/zinc/12/95/98/811129598.db2.gz VLOYGCYTBZVWOU-QGZVFWFLSA-N 0 3 283.375 2.003 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@]3(C)CC=CCC3)C2)C1 ZINC001041318970 811160663 /nfs/dbraw/zinc/16/06/63/811160663.db2.gz YCHDJMKIWLOQJF-QZTJIDSGSA-N 0 3 286.419 2.290 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C(C)(C)C3CC3)C2)C1 ZINC001041588351 811179895 /nfs/dbraw/zinc/17/98/95/811179895.db2.gz WPTRQNLVCOHRJT-GOSISDBHSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)C(C)(C)C(F)F)C2)C1 ZINC001041653176 811184338 /nfs/dbraw/zinc/18/43/38/811184338.db2.gz PVRPDFLBFVRBDK-INIZCTEOSA-N 0 3 298.377 2.225 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)o3)C[C@@H]21 ZINC001041924701 811217377 /nfs/dbraw/zinc/21/73/77/811217377.db2.gz KIJQBJVKAXQIDJ-KGLIPLIRSA-N 0 3 274.364 2.310 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cccc(CC)n3)C[C@@H]21 ZINC001042096961 811245303 /nfs/dbraw/zinc/24/53/03/811245303.db2.gz DMPGRKSMLOJDRY-PBHICJAKSA-N 0 3 299.418 2.366 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C)co3)C[C@H]21 ZINC001042194595 811253978 /nfs/dbraw/zinc/25/39/78/811253978.db2.gz TXQZJOXCBFZQGA-ZIAGYGMSSA-N 0 3 274.364 2.310 20 30 CEEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1conc1C)C2 ZINC001095957467 811404151 /nfs/dbraw/zinc/40/41/51/811404151.db2.gz WITWZHUNAYZLRV-SNPRPXQTSA-N 0 3 289.379 2.284 20 30 CEEDHN C[C@@H](N)c1ccn(-c2cccc(C3(C#N)CCOCC3)c2)n1 ZINC001169235253 811432272 /nfs/dbraw/zinc/43/22/72/811432272.db2.gz UJBCUQHLHYDODD-CYBMUJFWSA-N 0 3 296.374 2.464 20 30 CEEDHN C[C@@H](N)c1ccn(-c2nc(C(F)(F)F)ccc2C#N)n1 ZINC001169229751 811442848 /nfs/dbraw/zinc/44/28/48/811442848.db2.gz YFNMOWCOMJHDCC-SSDOTTSWSA-N 0 3 281.241 2.177 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ocnc1CC)C2 ZINC001095988059 811508219 /nfs/dbraw/zinc/50/82/19/811508219.db2.gz RJDXLCWJOSNDIC-XBFCOCLRSA-N 0 3 289.379 2.148 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2ncoc2CC)CC1 ZINC001045390838 811606012 /nfs/dbraw/zinc/60/60/12/811606012.db2.gz HVYHSSOGCLMSRJ-UHFFFAOYSA-N 0 3 277.368 2.007 20 30 CEEDHN C=CCn1cccc1C(=O)NC1(C)CCN(CC=C)CC1 ZINC001045461720 811614594 /nfs/dbraw/zinc/61/45/94/811614594.db2.gz LWIIKFFKVRUTSP-UHFFFAOYSA-N 0 3 287.407 2.444 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)/C=C\C1CC1)C2 ZINC001045924665 811667010 /nfs/dbraw/zinc/66/70/10/811667010.db2.gz MMCAYJMSNPPZQX-ZEVQVBBLSA-N 0 3 286.419 2.290 20 30 CEEDHN N=C(N[C@@H]1CCCC2(C1)OCCO2)c1ccc(Cl)cn1 ZINC001169909595 811709895 /nfs/dbraw/zinc/70/98/95/811709895.db2.gz IHUKJPGDHVIYAD-LLVKDONJSA-N 0 3 295.770 2.126 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)C2CC(F)(F)C2)C1 ZINC001046226558 811714335 /nfs/dbraw/zinc/71/43/35/811714335.db2.gz JBRKPTFMTSKJEA-ZDUSSCGKSA-N 0 3 272.339 2.188 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2CCc3cccnc32)C1 ZINC001046579792 811779434 /nfs/dbraw/zinc/77/94/34/811779434.db2.gz NWGYRKOGRRGZPI-YJBOKZPZSA-N 0 3 299.418 2.268 20 30 CEEDHN C#Cc1cncc(C(=O)N[C@]2(C)CCN(CC=C(C)C)C2)c1 ZINC001046603866 811783293 /nfs/dbraw/zinc/78/32/93/811783293.db2.gz DSAPAUANKJQPST-GOSISDBHSA-N 0 3 297.402 2.223 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2CC23CCC3)C1 ZINC001046662439 811794544 /nfs/dbraw/zinc/79/45/44/811794544.db2.gz QRXFCEMRDSNRBA-HIFRSBDPSA-N 0 3 262.397 2.333 20 30 CEEDHN C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCF ZINC001109170473 811832448 /nfs/dbraw/zinc/83/24/48/811832448.db2.gz RFMLCJLCMCKEPI-ILXRZTDVSA-N 0 3 280.387 2.261 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)c2cc3n(c2)CCCC3)C1 ZINC001046876102 811834594 /nfs/dbraw/zinc/83/45/94/811834594.db2.gz FVWRTYFLAAKSRU-KRWDZBQOSA-N 0 3 287.407 2.205 20 30 CEEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)C(F)F)C2)CC1 ZINC001047215553 811869684 /nfs/dbraw/zinc/86/96/84/811869684.db2.gz MGEWCUDCIOORHY-CQSZACIVSA-N 0 3 298.377 2.225 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)c1c(C)nsc1C ZINC001156672179 811875439 /nfs/dbraw/zinc/87/54/39/811875439.db2.gz IQZSYXHGELHCAN-UHFFFAOYSA-N 0 3 281.425 2.340 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cnoc1C(C)C ZINC001170008173 811896573 /nfs/dbraw/zinc/89/65/73/811896573.db2.gz DPIMNGIHWNCXTG-UHFFFAOYSA-N 0 3 285.775 2.260 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCF ZINC001109601675 811911139 /nfs/dbraw/zinc/91/11/39/811911139.db2.gz KQCPXYRQNAPMIO-AGIUHOORSA-N 0 3 268.376 2.280 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)COC ZINC001109597367 811913476 /nfs/dbraw/zinc/91/34/76/811913476.db2.gz JNMNSPKTEMUNRI-XGUBFFRZSA-N 0 3 294.439 2.345 20 30 CEEDHN CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCF ZINC001109627508 811919598 /nfs/dbraw/zinc/91/95/98/811919598.db2.gz VCSNRQWARVYODZ-ILXRZTDVSA-N 0 3 280.387 2.261 20 30 CEEDHN C[C@H]1CN(C(=O)C2CC2)C[C@H]1CNCc1ccccc1C#N ZINC001048086585 811934073 /nfs/dbraw/zinc/93/40/73/811934073.db2.gz ADFVATIRDDRFBV-SUMWQHHRSA-N 0 3 297.402 2.152 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(C)(F)F)C2 ZINC001109734438 811934664 /nfs/dbraw/zinc/93/46/64/811934664.db2.gz RHQDIZBCCAHZBF-NDBYEHHHSA-N 0 3 284.350 2.023 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CC=C)C2 ZINC001109769808 811943555 /nfs/dbraw/zinc/94/35/55/811943555.db2.gz VRFQGDSHOKUCQM-ILXRZTDVSA-N 0 3 274.408 2.334 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1cccnc1)C2 ZINC001096371837 811984419 /nfs/dbraw/zinc/98/44/19/811984419.db2.gz WEPCYSHQAXKVEL-SIXLDLHFSA-N 0 3 299.418 2.483 20 30 CEEDHN CCCC(=O)N1C[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]2C1 ZINC001048646555 812002385 /nfs/dbraw/zinc/00/23/85/812002385.db2.gz ZPFVRGVRFZDQKL-CALCHBBNSA-N 0 3 297.402 2.249 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3csc(C)c3C)C[C@@H]2C1 ZINC001048840537 812033095 /nfs/dbraw/zinc/03/30/95/812033095.db2.gz RQNFECWBIIRQIW-OKILXGFUSA-N 0 3 288.416 2.002 20 30 CEEDHN C=CCCCCCN1CCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC001112699062 812044525 /nfs/dbraw/zinc/04/45/25/812044525.db2.gz SJRRNXANAJVERR-UHFFFAOYSA-N 0 3 290.411 2.222 20 30 CEEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@@](C)(O)C2CC2)CC1 ZINC001112769856 812060878 /nfs/dbraw/zinc/06/08/78/812060878.db2.gz AVFQIKHLYANBOV-RHSMWYFYSA-N 0 3 294.439 2.036 20 30 CEEDHN Cc1cc(C#N)c(N2C[C@H]3[C@H](C2)CCCN3C)nc1C ZINC001157266037 812062494 /nfs/dbraw/zinc/06/24/94/812062494.db2.gz MVARPUWBRZLYIF-ZFWWWQNUSA-N 0 3 270.380 2.101 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)c3ccccc3)C[C@@H]2C1 ZINC001049177330 812082202 /nfs/dbraw/zinc/08/22/02/812082202.db2.gz VDQOKDATVPSPAV-RYQLBKOJSA-N 0 3 296.414 2.204 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccoc1 ZINC001049318104 812115614 /nfs/dbraw/zinc/11/56/14/812115614.db2.gz IYPPHYDMNJHHEZ-KBPBESRZSA-N 0 3 260.337 2.145 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)CC ZINC001049331133 812121077 /nfs/dbraw/zinc/12/10/77/812121077.db2.gz JGBWCBDGFFEDJS-QLFBSQMISA-N 0 3 262.397 2.121 20 30 CEEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ncoc1C ZINC001049348302 812125948 /nfs/dbraw/zinc/12/59/48/812125948.db2.gz BWOPNLVYKFOQFZ-KBPBESRZSA-N 0 3 289.379 2.238 20 30 CEEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCC1CCC1 ZINC001049406865 812140646 /nfs/dbraw/zinc/14/06/46/812140646.db2.gz NTZNNOSYQUOZAS-HZPDHXFCSA-N 0 3 274.408 2.265 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC1(C)C ZINC001049414776 812142131 /nfs/dbraw/zinc/14/21/31/812142131.db2.gz GQBDCTDJKHNAEY-MGPQQGTHSA-N 0 3 262.397 2.284 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cncc(F)c1 ZINC001049419976 812143009 /nfs/dbraw/zinc/14/30/09/812143009.db2.gz QIACGBBICNKFFG-HUUCEWRRSA-N 0 3 289.354 2.086 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)n1cccc1 ZINC001049420930 812143956 /nfs/dbraw/zinc/14/39/56/812143956.db2.gz AAPAQBMHDYBAEM-ARFHVFGLSA-N 0 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/nfs/dbraw/zinc/70/37/92/814703792.db2.gz RYYANFQPFNZFEZ-UHFFFAOYSA-N 0 3 286.375 2.048 20 30 CEEDHN C[C@@H](NCC[C@H]1CCCS1(=O)=O)c1ccc(C#N)cc1 ZINC000714338303 814895989 /nfs/dbraw/zinc/89/59/89/814895989.db2.gz BHKKKINHAXRVHV-IUODEOHRSA-N 0 3 292.404 2.176 20 30 CEEDHN C=CCOC1CCC(N2CCN(C(C)=O)[C@H](C)C2)CC1 ZINC001173323519 815674961 /nfs/dbraw/zinc/67/49/61/815674961.db2.gz ZZSQFAYVTROGMZ-IUDNXUCKSA-N 0 3 280.412 2.053 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccsc1)C2 ZINC001095134721 815694840 /nfs/dbraw/zinc/69/48/40/815694840.db2.gz HPHFDLUKNPJOTP-ILXRZTDVSA-N 0 3 288.416 2.035 20 30 CEEDHN CC(=O)N1CCN(C2CCC(C)(C#N)CC2)C[C@@H]1C ZINC001173599077 815758878 /nfs/dbraw/zinc/75/88/78/815758878.db2.gz ZBBKXWRKHMRLKF-GRTSSRMGSA-N 0 3 263.385 2.011 20 30 CEEDHN C=CCOc1ccccc1CN1C[C@@H]2C[C@H]1CN2C ZINC001139030662 815948452 /nfs/dbraw/zinc/94/84/52/815948452.db2.gz ROGSAGHCZYQUCX-GJZGRUSLSA-N 0 3 258.365 2.140 20 30 CEEDHN COC(=O)c1scc(C#N)c1Nc1ccncc1C ZINC001174536341 816022394 /nfs/dbraw/zinc/02/23/94/816022394.db2.gz BJSBFNLCSUHCHC-UHFFFAOYSA-N 0 3 273.317 2.275 20 30 CEEDHN C[C@]1(O)CCCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC001139525200 816038789 /nfs/dbraw/zinc/03/87/89/816038789.db2.gz DZWHMZJUXNTEHO-HNNXBMFYSA-N 0 3 262.328 2.434 20 30 CEEDHN CCN1CCN(Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139701260 816089420 /nfs/dbraw/zinc/08/94/20/816089420.db2.gz DHARMDYIJYMQJF-UHFFFAOYSA-N 0 3 268.364 2.177 20 30 CEEDHN Cc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3C)C2)cc1C#N ZINC001139727270 816096678 /nfs/dbraw/zinc/09/66/78/816096678.db2.gz LKMCDFYXTFORHD-WBVHZDCISA-N 0 3 297.402 2.309 20 30 CEEDHN CCN(Cc1c[nH]c2ccc(C#N)cc12)C1CN(C)C1 ZINC001140117233 816194047 /nfs/dbraw/zinc/19/40/47/816194047.db2.gz OHZLDLUTVUPXAQ-UHFFFAOYSA-N 0 3 268.364 2.175 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H](C)CC(C)C)C1 ZINC001150516561 816251443 /nfs/dbraw/zinc/25/14/43/816251443.db2.gz IIPYSBXAPLRVML-HOTGVXAUSA-N 0 3 296.455 2.452 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)Cc1ccccc1C ZINC001175704483 816275074 /nfs/dbraw/zinc/27/50/74/816275074.db2.gz QDNDIVIOIBRQAJ-UHFFFAOYSA-N 0 3 280.799 2.386 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](c3ccncc3)C2)cn1 ZINC001140542765 816282414 /nfs/dbraw/zinc/28/24/14/816282414.db2.gz HNDRMALCPAIVCX-HNNXBMFYSA-N 0 3 264.332 2.338 20 30 CEEDHN C#C[C@@H](C)NC[C@H](O)COc1ccc(Cl)cc1Cl ZINC000123472026 816621705 /nfs/dbraw/zinc/62/17/05/816621705.db2.gz BQAHVBRBBOEYPR-KOLCDFICSA-N 0 3 288.174 2.344 20 30 CEEDHN C=CCCC(=O)N1CC[C@H](NCc2scnc2C)[C@@H]1C ZINC001178324039 816725541 /nfs/dbraw/zinc/72/55/41/816725541.db2.gz FAIRGLVRIWCYTP-STQMWFEESA-N 0 3 293.436 2.497 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1cccc(OC)c1 ZINC001142846658 816738478 /nfs/dbraw/zinc/73/84/78/816738478.db2.gz XKVXBEYNWGRJMS-HNNXBMFYSA-N 0 3 288.391 2.004 20 30 CEEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@H](C)CCCC)C1 ZINC001149646620 816884434 /nfs/dbraw/zinc/88/44/34/816884434.db2.gz NWLHLPDPTMOWIF-CVEARBPZSA-N 0 3 294.439 2.043 20 30 CEEDHN C[C@H](C#N)CN(C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000079219059 343975781 /nfs/dbraw/zinc/97/57/81/343975781.db2.gz PBYGAARLGROFSJ-CYBMUJFWSA-N 0 3 280.416 2.052 20 30 CEEDHN CC(C#N)C(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000336251868 365536435 /nfs/dbraw/zinc/53/64/35/365536435.db2.gz FTQZHEDIWIFPAM-GFCCVEGCSA-N 0 3 286.379 2.085 20 30 CEEDHN CCN1CCC[C@H]1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000035121376 361816884 /nfs/dbraw/zinc/81/68/84/361816884.db2.gz WZBMSYJHTPQONL-LBPRGKRZSA-N 0 3 274.324 2.363 20 30 CEEDHN C=CCC[C@H](NCCS(C)(=O)=O)c1ccccc1 ZINC000269422141 190493252 /nfs/dbraw/zinc/49/32/52/190493252.db2.gz MDBBWEFPUDGHEJ-AWEZNQCLSA-N 0 3 267.394 2.328 20 30 CEEDHN Cc1cccc(NC(=O)[C@@H]2CCCN(CCCC#N)C2)n1 ZINC000122173788 365625404 /nfs/dbraw/zinc/62/54/04/365625404.db2.gz LRSWWMNIKWJQFN-CQSZACIVSA-N 0 3 286.379 2.344 20 30 CEEDHN COC(=O)C[C@H]1CSCCN1CCCC(C)(C)C#N ZINC000123638972 365640810 /nfs/dbraw/zinc/64/08/10/365640810.db2.gz CEWTZPOQVJEERP-LBPRGKRZSA-N 0 3 284.425 2.297 20 30 CEEDHN CC[C@@H](C)N[C@@H](CNC(=O)NCCCC#N)c1ccco1 ZINC000355076322 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/nfs/dbraw/zinc/87/27/07/346872707.db2.gz WDJFAZGDMSXGNB-DLBZAZTESA-N 0 3 297.402 2.499 20 30 CEEDHN C#CCCCCNC(=O)NC1CCN(CC(=C)C)CC1 ZINC000125614653 187193171 /nfs/dbraw/zinc/19/31/71/187193171.db2.gz QQRJCIMOLNNIKO-UHFFFAOYSA-N 0 3 277.412 2.130 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000601699242 346881730 /nfs/dbraw/zinc/88/17/30/346881730.db2.gz BFOBJDDVMNLWQJ-KCJUWKMLSA-N 0 3 286.253 2.015 20 30 CEEDHN O=C(C#Cc1ccccc1)N1CCC[C@H]1CN1CCCC1 ZINC000080610693 344016484 /nfs/dbraw/zinc/01/64/84/344016484.db2.gz SXWZLLQQPSMXBG-KRWDZBQOSA-N 0 3 282.387 2.125 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2nnc[n-]2)C1 ZINC000567723865 299082050 /nfs/dbraw/zinc/08/20/50/299082050.db2.gz VWAINIUVWURNGR-SMDDNHRTSA-N 0 3 267.336 2.227 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2nnc[n-]2)C1 ZINC000567723865 299082052 /nfs/dbraw/zinc/08/20/52/299082052.db2.gz VWAINIUVWURNGR-SMDDNHRTSA-N 0 3 267.336 2.227 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)NCc1cc(C#N)ccc1F ZINC000080787757 344024839 /nfs/dbraw/zinc/02/48/39/344024839.db2.gz FKNAQZYEQRNZNT-OAHLLOKOSA-N 0 3 289.354 2.188 20 30 CEEDHN Cc1ccc(CN2CC[C@@H](NC(=O)CCCC#N)C2)cc1 ZINC000601884509 346921557 /nfs/dbraw/zinc/92/15/57/346921557.db2.gz YVEJQHUXRIDBOU-MRXNPFEDSA-N 0 3 285.391 2.379 20 30 CEEDHN CCOC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000041066876 362016692 /nfs/dbraw/zinc/01/66/92/362016692.db2.gz RLULORKCSGCFRN-UHFFFAOYSA-N 0 3 274.364 2.438 20 30 CEEDHN CN(C)[C@@H](CNC(=O)C1(C#N)CCCC1)Cc1ccccc1 ZINC000041949294 362052678 /nfs/dbraw/zinc/05/26/78/362052678.db2.gz OZNAAVBDZOWMHA-MRXNPFEDSA-N 0 3 299.418 2.359 20 30 CEEDHN C[C@]1(O)CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000336608288 365714073 /nfs/dbraw/zinc/71/40/73/365714073.db2.gz UGCTWHCOBULRHP-HNNXBMFYSA-N 0 3 262.328 2.434 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2cccc(C#N)c2)nc(C)n1 ZINC000041574813 343441738 /nfs/dbraw/zinc/44/17/38/343441738.db2.gz QOLUZAMMGKKTTL-CQSZACIVSA-N 0 3 276.299 2.455 20 30 CEEDHN Cc1cc(C)c(C#N)c(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000044679012 343476442 /nfs/dbraw/zinc/47/64/42/343476442.db2.gz OGESHPOBIKRDMV-GFCCVEGCSA-N 0 3 256.353 2.219 20 30 CEEDHN CN(CC(=O)N[C@](C)(C#N)C1CC1)CC1CCCCC1 ZINC000043999974 343468208 /nfs/dbraw/zinc/46/82/08/343468208.db2.gz VOVNONMHSDIBPO-MRXNPFEDSA-N 0 3 277.412 2.307 20 30 CEEDHN N#Cc1csc(CNCCOC(F)(F)F)c1 ZINC000336688950 365759425 /nfs/dbraw/zinc/75/94/25/365759425.db2.gz VEKBBVAEICAGRH-UHFFFAOYSA-N 0 3 250.245 2.246 20 30 CEEDHN N#CC1(C[C@H](O)CNCc2cccc(F)c2F)CC1 ZINC000601966484 346945332 /nfs/dbraw/zinc/94/53/32/346945332.db2.gz BGENHGHDKSWYCJ-NSHDSACASA-N 0 3 266.291 2.109 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCc1cccc(F)c1F ZINC000601967527 346945352 /nfs/dbraw/zinc/94/53/52/346945352.db2.gz GXHNINMKWVQKON-LLVKDONJSA-N 0 3 268.307 2.355 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](C)C[C@H](C)C1 ZINC000127575716 365754825 /nfs/dbraw/zinc/75/48/25/365754825.db2.gz DDHYNIWCBBCNNO-KGLIPLIRSA-N 0 3 265.401 2.117 20 30 CEEDHN CN(CCNC(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000053348982 343573911 /nfs/dbraw/zinc/57/39/11/343573911.db2.gz YMUGOAUDWIAQBS-UHFFFAOYSA-N 0 3 293.370 2.420 20 30 CEEDHN CN(C)C(=O)C1(NCc2ccc(C#N)cc2)CCCCC1 ZINC000295020770 199304613 /nfs/dbraw/zinc/30/46/13/199304613.db2.gz NEYTYKWOQVAOJE-UHFFFAOYSA-N 0 3 285.391 2.439 20 30 CEEDHN N#CC1(C(=O)NC2CCN(C3CC3)CC2)CCCCC1 ZINC000057429140 343631471 /nfs/dbraw/zinc/63/14/71/343631471.db2.gz LEGVHQLBUQCULV-UHFFFAOYSA-N 0 3 275.396 2.203 20 30 CEEDHN CC(C)CCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000060741809 343662327 /nfs/dbraw/zinc/66/23/27/343662327.db2.gz XEJNQLMLRHWQLR-UHFFFAOYSA-N 0 3 258.369 2.121 20 30 CEEDHN CN1CC[C@@H](NCC2(C#N)CC2)[C@@H]1c1ccccc1 ZINC000352114842 529795741 /nfs/dbraw/zinc/79/57/41/529795741.db2.gz DLGDAUDWCKWORP-CABCVRRESA-N 0 3 255.365 2.325 20 30 CEEDHN CN(CCNc1ccc(C#N)cn1)Cc1ccccc1 ZINC000064916250 343694527 /nfs/dbraw/zinc/69/45/27/343694527.db2.gz CIBXERKIISNWBM-UHFFFAOYSA-N 0 3 266.348 2.497 20 30 CEEDHN N#CCC1(CNCc2ccc3nccnc3c2)CC1 ZINC000602015276 346960001 /nfs/dbraw/zinc/96/00/01/346960001.db2.gz AYDZTYRXZKKOCE-UHFFFAOYSA-N 0 3 252.321 2.413 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc(OCC)c2)CC1 ZINC000066920811 343725495 /nfs/dbraw/zinc/72/54/95/343725495.db2.gz CUIBJFGLGQCDDL-UHFFFAOYSA-N 0 3 286.375 2.369 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000067859177 343746155 /nfs/dbraw/zinc/74/61/55/343746155.db2.gz LVIPYKZMFUTFHB-DLBZAZTESA-N 0 3 282.387 2.004 20 30 CEEDHN N#CCC1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000602131236 346979941 /nfs/dbraw/zinc/97/99/41/346979941.db2.gz SSGVHKJEBUYCKT-HNNXBMFYSA-N 0 3 275.396 2.156 20 30 CEEDHN N#Cc1ccc(CCNC(=O)[C@@H]2CCN2C2CCCC2)cc1 ZINC000602178567 346989126 /nfs/dbraw/zinc/98/91/26/346989126.db2.gz NRAXJNOZVBVWAG-KRWDZBQOSA-N 0 3 297.402 2.234 20 30 CEEDHN C=C(C)CN1CCC(Nc2cc(-n3ccnc3)ncn2)CC1 ZINC000077218262 343911890 /nfs/dbraw/zinc/91/18/90/343911890.db2.gz CUKWECMWDXTOLH-UHFFFAOYSA-N 0 3 298.394 2.115 20 30 CEEDHN C=C(Cl)CNC(=O)NCCN(C)Cc1ccccc1 ZINC000077573068 343925344 /nfs/dbraw/zinc/92/53/44/343925344.db2.gz NQXPDVVFQBHQJN-UHFFFAOYSA-N 0 3 281.787 2.170 20 30 CEEDHN C=CCNC(=O)CN(C)[C@H](CC)Cc1ccccc1 ZINC000128672525 365800754 /nfs/dbraw/zinc/80/07/54/365800754.db2.gz RCZWMCZMSYNROA-OAHLLOKOSA-N 0 3 260.381 2.242 20 30 CEEDHN C=C(C)CN1CCC(Nc2ncnc3nc(N)ccc32)CC1 ZINC000090091724 344136332 /nfs/dbraw/zinc/13/63/32/344136332.db2.gz BTVOUGJJIFQQOY-UHFFFAOYSA-N 0 3 298.394 2.059 20 30 CEEDHN COc1ccccc1CN(CCO)C[C@H](C)CCC#N ZINC000602448757 347037673 /nfs/dbraw/zinc/03/76/73/347037673.db2.gz OWEWZZFQNBFOBF-CQSZACIVSA-N 0 3 276.380 2.429 20 30 CEEDHN C=C(C)CN1CCC(Nc2cnccc2C#N)CC1 ZINC000094156399 344234441 /nfs/dbraw/zinc/23/44/41/344234441.db2.gz RUTBYFIXNMCXJG-UHFFFAOYSA-N 0 3 256.353 2.406 20 30 CEEDHN C[C@H](NCCn1ccccc1=O)c1ccc(C#N)cc1 ZINC000097988472 344246766 /nfs/dbraw/zinc/24/67/66/344246766.db2.gz OBQLNZVJMGLUCD-ZDUSSCGKSA-N 0 3 267.332 2.071 20 30 CEEDHN COC[C@H]1CCCN1Cc1ccc(C#N)cc1OC ZINC000121141664 344301073 /nfs/dbraw/zinc/30/10/73/344301073.db2.gz YMBFDQPABLRURW-CQSZACIVSA-N 0 3 260.337 2.178 20 30 CEEDHN CN(CC#CCN1C(=O)c2ccccc2C1=O)C1CCCC1 ZINC000167795376 344479079 /nfs/dbraw/zinc/47/90/79/344479079.db2.gz FSCFJNDNXGYZES-UHFFFAOYSA-N 0 3 296.370 2.160 20 30 CEEDHN Cc1csc(CCNCc2cccc(C#N)n2)n1 ZINC000602512918 347062765 /nfs/dbraw/zinc/06/27/65/347062765.db2.gz YCLOKIFUDXJQFI-UHFFFAOYSA-N 0 3 258.350 2.051 20 30 CEEDHN C=CCC[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285414420 344678489 /nfs/dbraw/zinc/67/84/89/344678489.db2.gz VECRBUOAGNGYEM-CQSZACIVSA-N 0 3 278.352 2.396 20 30 CEEDHN Cc1ccccc1OCCNCc1cccc(C#N)n1 ZINC000602519268 347064739 /nfs/dbraw/zinc/06/47/39/347064739.db2.gz WSQOOQWZRFRNCK-UHFFFAOYSA-N 0 3 267.332 2.430 20 30 CEEDHN CCc1nc(C#N)cc(N[C@@H](C)CN2CCCCC2)n1 ZINC000308183058 344727077 /nfs/dbraw/zinc/72/70/77/344727077.db2.gz WIQAPHKSBGEDRH-LBPRGKRZSA-N 0 3 273.384 2.197 20 30 CEEDHN CCN1CCCN(c2nccc(C)c2C#N)[C@@H](C)C1 ZINC000320596455 344752423 /nfs/dbraw/zinc/75/24/23/344752423.db2.gz WNIXAFKUSAVYTE-ZDUSSCGKSA-N 0 3 258.369 2.182 20 30 CEEDHN CC(C#N)C(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000334588984 344763637 /nfs/dbraw/zinc/76/36/37/344763637.db2.gz WAHQUOGBTLAEJJ-LLVKDONJSA-N 0 3 298.346 2.065 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCCC[C@@H]1C(F)F ZINC000602559392 347076829 /nfs/dbraw/zinc/07/68/29/347076829.db2.gz HXPSLLJMLMMGJV-GHMZBOCLSA-N 0 3 273.327 2.044 20 30 CEEDHN C[C@]12CCCC[C@H]1CN2C(=O)[C@@H](N)CCCCC#N ZINC000602569269 347081565 /nfs/dbraw/zinc/08/15/65/347081565.db2.gz OPZKSOUAQSBTCA-YDHLFZDLSA-N 0 3 263.385 2.189 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCCC2(CC2)CC1 ZINC000602569918 347082721 /nfs/dbraw/zinc/08/27/21/347082721.db2.gz QPHACVGTGGMDAP-CYBMUJFWSA-N 0 3 263.385 2.190 20 30 CEEDHN CCN(CCOc1ccc(C#N)cc1)[C@H]1CCCOC1 ZINC000402823696 344873850 /nfs/dbraw/zinc/87/38/50/344873850.db2.gz IGIXJIVQSPZZNX-HNNXBMFYSA-N 0 3 274.364 2.438 20 30 CEEDHN N#Cc1cccc(CNCCC[C@H]2CCCC[C@H]2O)n1 ZINC000602574854 347084853 /nfs/dbraw/zinc/08/48/53/347084853.db2.gz FNYBDBMXHPJKRH-CZUORRHYSA-N 0 3 273.380 2.374 20 30 CEEDHN COc1ccc(CN2CCC[C@H](C)[C@H]2CO)cc1C#N ZINC000305708841 201776756 /nfs/dbraw/zinc/77/67/56/201776756.db2.gz DPEHWDWPNLIKNX-SWLSCSKDSA-N 0 3 274.364 2.160 20 30 CEEDHN N#Cc1cc(CN2CCCCC[C@@H]2CCO)ccn1 ZINC000585754927 345013462 /nfs/dbraw/zinc/01/34/62/345013462.db2.gz RMFLSIFHMSGULC-OAHLLOKOSA-N 0 3 259.353 2.080 20 30 CEEDHN Cc1ccccc1[C@H]([C@@H](C)Nc1ccc(C#N)nn1)N(C)C ZINC000588084093 345038173 /nfs/dbraw/zinc/03/81/73/345038173.db2.gz JQAIPDNDAFFNTE-DYVFJYSZSA-N 0 3 295.390 2.182 20 30 CEEDHN N#Cc1ccncc1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000588756821 345054534 /nfs/dbraw/zinc/05/45/34/345054534.db2.gz VQCMUXXCHNIMMH-UHFFFAOYSA-N 0 3 298.390 2.044 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](C2CC2)C1 ZINC000588978283 345063432 /nfs/dbraw/zinc/06/34/32/345063432.db2.gz UVSQULNPGMNNKX-TZMCWYRMSA-N 0 3 275.396 2.059 20 30 CEEDHN COC1(CCN2CCN([C@H](C#N)C(C)C)CC2)CCC1 ZINC000590168822 345119336 /nfs/dbraw/zinc/11/93/36/345119336.db2.gz HYYAWMBNHUZLQC-OAHLLOKOSA-N 0 3 279.428 2.111 20 30 CEEDHN CN(C)C[C@H]1CN(C(=O)CCCC#N)c2ccccc2O1 ZINC000589787115 345098326 /nfs/dbraw/zinc/09/83/26/345098326.db2.gz BLLJARGKFJWEFU-ZDUSSCGKSA-N 0 3 287.363 2.036 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CC[C@](O)(C(F)(F)F)C2)o1 ZINC000589939046 345105164 /nfs/dbraw/zinc/10/51/64/345105164.db2.gz NEWLNBKEGCBGQD-GZMMTYOYSA-N 0 3 274.242 2.087 20 30 CEEDHN C[C@H]1CN(C(=O)CC2(C#N)CC2)CCN(C2CCC2)C1 ZINC000590452456 345136289 /nfs/dbraw/zinc/13/62/89/345136289.db2.gz MCTZOJFKARUGEK-CYBMUJFWSA-N 0 3 275.396 2.013 20 30 CEEDHN CN1CCC[C@]2(CCN(C(=O)CCCCCC#N)C2)C1 ZINC000590505885 345143165 /nfs/dbraw/zinc/14/31/65/345143165.db2.gz AYMUGPLKJYIZKX-INIZCTEOSA-N 0 3 277.412 2.405 20 30 CEEDHN C[C@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)c1cccc(C#N)c1 ZINC000591354221 345243314 /nfs/dbraw/zinc/24/33/14/345243314.db2.gz XKUKTDVASZVAOC-AGIUHOORSA-N 0 3 286.379 2.011 20 30 CEEDHN N#C[C@]1(F)CCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000590956982 345204713 /nfs/dbraw/zinc/20/47/13/345204713.db2.gz DMNZVNHHDKETGF-JKSUJKDBSA-N 0 3 273.355 2.198 20 30 CEEDHN CC(C)(CO)N1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000591019602 345212564 /nfs/dbraw/zinc/21/25/64/345212564.db2.gz VIPKYOURQIIDFX-UHFFFAOYSA-N 0 3 293.455 2.239 20 30 CEEDHN CC(C)COC[C@@H](O)CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000591763967 345278217 /nfs/dbraw/zinc/27/82/17/345278217.db2.gz UJXXGOWUCARPNU-DOTOQJQBSA-N 0 3 288.391 2.169 20 30 CEEDHN C[C@@H](NCCCc1ncn(C)n1)c1ccc(C#N)cc1F ZINC000592395687 345350085 /nfs/dbraw/zinc/35/00/85/345350085.db2.gz YBVCXFRHHARRBL-LLVKDONJSA-N 0 3 287.342 2.109 20 30 CEEDHN CSC[C@H](CCO)N[C@H](C)c1cccc(C#N)c1 ZINC000305795611 201809111 /nfs/dbraw/zinc/80/91/11/201809111.db2.gz VHTNNSIQDRMCHA-RISCZKNCSA-N 0 3 264.394 2.323 20 30 CEEDHN Cc1cc(CN2CC[C@@](O)(CC#N)C2)cc2cccnc12 ZINC000592521785 345365677 /nfs/dbraw/zinc/36/56/77/345365677.db2.gz CBPZCTCMSKDVAQ-KRWDZBQOSA-N 0 3 281.359 2.394 20 30 CEEDHN CCC(C#N)C(=O)N=c1cc(C)n([C@@H](C)C2CC2)[nH]1 ZINC000593596788 345510834 /nfs/dbraw/zinc/51/08/34/345510834.db2.gz TYLJIQCRMPJZDP-WDEREUQCSA-N 0 3 260.341 2.073 20 30 CEEDHN CCCN(CC(=O)OC(C)(C)C)C(=O)C(C#N)CC ZINC000593601670 345511368 /nfs/dbraw/zinc/51/13/68/345511368.db2.gz LDSQBERTKFDVAU-NSHDSACASA-N 0 3 268.357 2.116 20 30 CEEDHN N#Cc1ccc(CNCCC2(CO)CCC2)cc1F ZINC000593693882 345522668 /nfs/dbraw/zinc/52/26/68/345522668.db2.gz SJQLZROKWBQZMH-UHFFFAOYSA-N 0 3 262.328 2.340 20 30 CEEDHN N#Cc1ccc(CN2CCc3ccc(O)cc3CC2)nc1 ZINC000593964991 345556908 /nfs/dbraw/zinc/55/69/08/345556908.db2.gz PYSQGERSHZREAF-UHFFFAOYSA-N 0 3 279.343 2.260 20 30 CEEDHN CN(CCNC(=O)CCCCC#N)Cc1ccccc1 ZINC000593966386 345557289 /nfs/dbraw/zinc/55/72/89/345557289.db2.gz CATFUXRAQIVWNJ-UHFFFAOYSA-N 0 3 273.380 2.319 20 30 CEEDHN CC[C@H](NCc1ccc(C#N)cn1)[C@@H]1CCCCO1 ZINC000594039663 345571088 /nfs/dbraw/zinc/57/10/88/345571088.db2.gz BKIHLPXDNYJKJY-GJZGRUSLSA-N 0 3 259.353 2.391 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594215441 345598732 /nfs/dbraw/zinc/59/87/32/345598732.db2.gz LMJJTEXHTJJXEY-YOEHRIQHSA-N 0 3 299.418 2.337 20 30 CEEDHN CCN(CCNC(=O)N1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000594219192 345599195 /nfs/dbraw/zinc/59/91/95/345599195.db2.gz JGXVYDZNGUXNDX-UHFFFAOYSA-N 0 3 298.390 2.068 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)N2Cc3ccc(C#N)cc3C2)CCN1C ZINC000594233596 345601510 /nfs/dbraw/zinc/60/15/10/345601510.db2.gz VNVCBVLPPPQKIR-MLGOLLRUSA-N 0 3 298.390 2.066 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000594278875 345607573 /nfs/dbraw/zinc/60/75/73/345607573.db2.gz UFOOYLQXEGMAGS-KGLIPLIRSA-N 0 3 299.418 2.336 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC1(N(C)C)CCC1 ZINC000594346303 345614733 /nfs/dbraw/zinc/61/47/33/345614733.db2.gz YNVOMAJBFICOBT-AWEZNQCLSA-N 0 3 299.418 2.337 20 30 CEEDHN CCC(C#N)C(=O)N(CC(=O)OC(C)(C)C)C1CCC1 ZINC000594418810 345624578 /nfs/dbraw/zinc/62/45/78/345624578.db2.gz LSRFKOVNNOWAIP-LLVKDONJSA-N 0 3 280.368 2.259 20 30 CEEDHN C[C@@H](O)CN(C(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000594416971 345624717 /nfs/dbraw/zinc/62/47/17/345624717.db2.gz ZUPKHSQZPJPKQS-UKRRQHHQSA-N 0 3 286.375 2.131 20 30 CEEDHN COc1ccc(OC)c(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594424329 345625047 /nfs/dbraw/zinc/62/50/47/345625047.db2.gz AROJBRVMWVHKDD-LBPRGKRZSA-N 0 3 291.351 2.054 20 30 CEEDHN Cc1cccc(CNC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594425803 345625900 /nfs/dbraw/zinc/62/59/00/345625900.db2.gz AIBKKLZUBQBAMT-AWEZNQCLSA-N 0 3 259.353 2.023 20 30 CEEDHN C[C@@H]1CCC[C@@H](N(C)C(=O)[C@H](N)CCCCC#N)C1 ZINC000594427300 345626268 /nfs/dbraw/zinc/62/62/68/345626268.db2.gz IFCFAHBUDRIMLR-MGPQQGTHSA-N 0 3 265.401 2.435 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCc1ccccc1Cl ZINC000594427020 345626643 /nfs/dbraw/zinc/62/66/43/345626643.db2.gz SFDBMZKBZLKVQD-ZDUSSCGKSA-N 0 3 279.771 2.367 20 30 CEEDHN C[C@@H](Cc1cccs1)NC(=O)[C@@H](N)CCCCC#N ZINC000594430142 345627692 /nfs/dbraw/zinc/62/76/92/345627692.db2.gz ZGKOGYNDLLJZAW-AAEUAGOBSA-N 0 3 279.409 2.207 20 30 CEEDHN CC(C)C[C@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594430095 345627901 /nfs/dbraw/zinc/62/79/01/345627901.db2.gz YSBAEEBXRHSXOR-KGLIPLIRSA-N 0 3 265.401 2.435 20 30 CEEDHN C[C@H]1CCCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594430903 345628466 /nfs/dbraw/zinc/62/84/66/345628466.db2.gz CWTSAMOTPNGDDN-QWHCGFSZSA-N 0 3 251.374 2.046 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCc1cccc(F)c1F ZINC000594434201 345629023 /nfs/dbraw/zinc/62/90/23/345629023.db2.gz LIUVJVXYGDHWCQ-ZDUSSCGKSA-N 0 3 295.333 2.035 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000594433745 345629384 /nfs/dbraw/zinc/62/93/84/345629384.db2.gz RXOILIADJCOCIJ-HRCADAONSA-N 0 3 285.391 2.145 20 30 CEEDHN Cc1cc(F)cc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594436133 345630029 /nfs/dbraw/zinc/63/00/29/345630029.db2.gz LXRVFIPOXWTWHW-ZDUSSCGKSA-N 0 3 263.316 2.484 20 30 CEEDHN C[C@H](CN(C)C(=O)[C@@H](N)CCCCC#N)c1nccs1 ZINC000594436377 345630114 /nfs/dbraw/zinc/63/01/14/345630114.db2.gz HQKHWEMBVUSVJC-NEPJUHHUSA-N 0 3 294.424 2.116 20 30 CEEDHN C[C@@H]1CCC[C@H](NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594438320 345630844 /nfs/dbraw/zinc/63/08/44/345630844.db2.gz SUDCFXAQWSHBCD-RDBSUJKOSA-N 0 3 265.401 2.483 20 30 CEEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1nc2ccccc2[nH]1 ZINC000594441042 345631265 /nfs/dbraw/zinc/63/12/65/345631265.db2.gz LMNROIOQKMQYIU-RYUDHWBXSA-N 0 3 299.378 2.151 20 30 CEEDHN Cc1nc2ccc(NC(=O)[C@H](N)CCCCC#N)cc2o1 ZINC000594441056 345631365 /nfs/dbraw/zinc/63/13/65/345631365.db2.gz LVXHXEWKCJKVTG-GFCCVEGCSA-N 0 3 286.335 2.486 20 30 CEEDHN CCC[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccn1 ZINC000594439234 345631587 /nfs/dbraw/zinc/63/15/87/345631587.db2.gz UJFNXVBOVXKIPX-ZFWWWQNUSA-N 0 3 288.395 2.450 20 30 CEEDHN CC1CCC(CNC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594443613 345631995 /nfs/dbraw/zinc/63/19/95/345631995.db2.gz FOWIVCJTTIVUHV-RUXDESIVSA-N 0 3 265.401 2.340 20 30 CEEDHN CCOc1ccccc1N(C)C(=O)[C@H](N)CCCCC#N ZINC000594442761 345632172 /nfs/dbraw/zinc/63/21/72/345632172.db2.gz JKAPIWOWDCMKJX-CYBMUJFWSA-N 0 3 289.379 2.459 20 30 CEEDHN CO[C@]1(C)C[C@@H](N(C)C(=O)[C@H](N)CCCCC#N)C1(C)C ZINC000594446237 345632580 /nfs/dbraw/zinc/63/25/80/345632580.db2.gz QJRABHKCXDCBIP-XJKCOSOUSA-N 0 3 295.427 2.060 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594447676 345633201 /nfs/dbraw/zinc/63/32/01/345633201.db2.gz VEGVUDJERPVWHC-MCIONIFRSA-N 0 3 265.401 2.435 20 30 CEEDHN Cc1csc(NC(=O)N(C)CCN(C)C2CC2)c1C#N ZINC000594106819 345585697 /nfs/dbraw/zinc/58/56/97/345585697.db2.gz XWFHOILFNZECNN-UHFFFAOYSA-N 0 3 292.408 2.486 20 30 CEEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC000123429246 232206303 /nfs/dbraw/zinc/20/63/03/232206303.db2.gz DBPMWBKHFQWHNA-MRXNPFEDSA-N 0 3 274.364 2.186 20 30 CEEDHN N#CCc1ccc(NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000594611273 345661118 /nfs/dbraw/zinc/66/11/18/345661118.db2.gz HZTGGCUXDACDMA-QGZVFWFLSA-N 0 3 285.391 2.418 20 30 CEEDHN C=CCC[C@H](CO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594506037 345639741 /nfs/dbraw/zinc/63/97/41/345639741.db2.gz KFAQNFCJICOACC-BXUZGUMPSA-N 0 3 276.336 2.499 20 30 CEEDHN CNC(=O)C[C@@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594507640 345640371 /nfs/dbraw/zinc/64/03/71/345640371.db2.gz OONKXPCVGITCET-GFCCVEGCSA-N 0 3 273.380 2.102 20 30 CEEDHN COC[C@@H]1CCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000152605557 232220679 /nfs/dbraw/zinc/22/06/79/232220679.db2.gz OCXFTQOPQARBRX-CQSZACIVSA-N 0 3 274.364 2.425 20 30 CEEDHN CC1CCC(N2CCN(c3ccc(C#N)c(N)n3)CC2)CC1 ZINC000594556758 345647885 /nfs/dbraw/zinc/64/78/85/345647885.db2.gz RUAKWHHDVSEGQM-UHFFFAOYSA-N 0 3 299.422 2.236 20 30 CEEDHN CC(C)(C)[C@@H](N)c1cn(-c2ccc(C#N)cc2)nn1 ZINC000594653005 345667507 /nfs/dbraw/zinc/66/75/07/345667507.db2.gz WNIHGSLQIMELHW-ZDUSSCGKSA-N 0 3 255.325 2.185 20 30 CEEDHN Cc1cc(C#N)nc(N[C@H]2CCCN3CCCC[C@@H]23)n1 ZINC000594597070 345655243 /nfs/dbraw/zinc/65/52/43/345655243.db2.gz CFVKEPZIELILBV-KBPBESRZSA-N 0 3 271.368 2.086 20 30 CEEDHN N#C[C@@H](c1ccccc1)N1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000594717176 345677680 /nfs/dbraw/zinc/67/76/80/345677680.db2.gz IBKBUGSNMCQCKC-FGTMMUONSA-N 0 3 299.418 2.172 20 30 CEEDHN C=CCCSCCNC[C@](C)(O)C(F)(F)F ZINC000594718974 345678472 /nfs/dbraw/zinc/67/84/72/345678472.db2.gz XVZKUPONPIVJNQ-VIFPVBQESA-N 0 3 257.321 2.199 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N(CCC1CC1)CC1CC1 ZINC000595259992 345750799 /nfs/dbraw/zinc/75/07/99/345750799.db2.gz RVHBLILQLHCRME-OAHLLOKOSA-N 0 3 277.412 2.436 20 30 CEEDHN N#Cc1ccc(CCN2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000595291015 345755307 /nfs/dbraw/zinc/75/53/07/345755307.db2.gz PLQXGSQZXHWKDK-UHFFFAOYSA-N 0 3 297.402 2.091 20 30 CEEDHN N#CC1(c2ccc(CN[C@@H]3CCCCNC3=O)cc2)CC1 ZINC000594915426 345700252 /nfs/dbraw/zinc/70/02/52/345700252.db2.gz UJQIBWUPLGERMC-OAHLLOKOSA-N 0 3 283.375 2.000 20 30 CEEDHN CC(C)N1C[C@@H](NCc2ccc(C3(C#N)CC3)cc2)CC1=O ZINC000594922981 345702931 /nfs/dbraw/zinc/70/29/31/345702931.db2.gz RMGXJRYLOBJQQE-INIZCTEOSA-N 0 3 297.402 2.341 20 30 CEEDHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000594940153 345710662 /nfs/dbraw/zinc/71/06/62/345710662.db2.gz IPDMVBVGWZDLPM-JIMOISOXSA-N 0 3 292.766 2.499 20 30 CEEDHN C[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2)C1 ZINC000594966478 345719083 /nfs/dbraw/zinc/71/90/83/345719083.db2.gz SIACCPCEMQTWHY-CLCXKQKWSA-N 0 3 276.405 2.338 20 30 CEEDHN Cc1cncc(CCNCc2ccc(C#N)cc2F)n1 ZINC000594995958 345723231 /nfs/dbraw/zinc/72/32/31/345723231.db2.gz WCKMAJMTCCGACA-UHFFFAOYSA-N 0 3 270.311 2.128 20 30 CEEDHN Cc1cncc(CCNCc2ccc(C#N)s2)n1 ZINC000594995957 345723300 /nfs/dbraw/zinc/72/33/00/345723300.db2.gz WCJBRTDZXJUOPJ-UHFFFAOYSA-N 0 3 258.350 2.051 20 30 CEEDHN CCN(CCc1ccc(C#N)cc1)Cc1cnn(C)c1 ZINC000595301648 345758336 /nfs/dbraw/zinc/75/83/36/345758336.db2.gz MEHZPMZUKQRGKK-UHFFFAOYSA-N 0 3 268.364 2.356 20 30 CEEDHN N#Cc1ccc(OCCN[C@H]2CCCn3nccc32)cc1 ZINC000595026268 345730331 /nfs/dbraw/zinc/73/03/31/345730331.db2.gz KGBJUIILROZJHQ-HNNXBMFYSA-N 0 3 282.347 2.258 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@H](CC#N)C1 ZINC000595549944 345809753 /nfs/dbraw/zinc/80/97/53/345809753.db2.gz GERIZRRQVNOEDI-HUUCEWRRSA-N 0 3 292.427 2.196 20 30 CEEDHN C=CCCSCCNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000595553143 345810636 /nfs/dbraw/zinc/81/06/36/345810636.db2.gz FFGDGRXTGLFQEF-CHWSQXEVSA-N 0 3 297.468 2.220 20 30 CEEDHN CCC1(O)CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595326759 345762055 /nfs/dbraw/zinc/76/20/55/345762055.db2.gz KHFOINXZDQLCOZ-UHFFFAOYSA-N 0 3 258.365 2.338 20 30 CEEDHN CCN1CCN(CCc2ccc(C#N)cc2)C[C@H]1C ZINC000595390261 345772831 /nfs/dbraw/zinc/77/28/31/345772831.db2.gz UPASWCWELKBWND-CQSZACIVSA-N 0 3 257.381 2.127 20 30 CEEDHN N#Cc1ccc(CCN[C@@H](CO)c2ccsc2)cc1 ZINC000595445708 345784824 /nfs/dbraw/zinc/78/48/24/345784824.db2.gz PMNRDXDAAIFMOV-HNNXBMFYSA-N 0 3 272.373 2.485 20 30 CEEDHN Cn1cc([C@@H](NCCC(C)(C)C#N)C2(CO)CCC2)cn1 ZINC000595495150 345795984 /nfs/dbraw/zinc/79/59/84/345795984.db2.gz QVQBCQQBYQIXMJ-CQSZACIVSA-N 0 3 290.411 2.153 20 30 CEEDHN C=CCCSCCNC(=O)NC[C@@H]1CCCCN1CC ZINC000595500084 345796674 /nfs/dbraw/zinc/79/66/74/345796674.db2.gz PUYXNIZCTNMUDW-AWEZNQCLSA-N 0 3 299.484 2.469 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)N1CCC[C@H](CC#N)C1 ZINC000595502229 345797410 /nfs/dbraw/zinc/79/74/10/345797410.db2.gz XKGCWTDJQWTTOA-CABCVRRESA-N 0 3 292.427 2.196 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@H](CC#N)C1 ZINC000595502233 345797667 /nfs/dbraw/zinc/79/76/67/345797667.db2.gz XKGCWTDJQWTTOA-HUUCEWRRSA-N 0 3 292.427 2.196 20 30 CEEDHN CO[C@H](CNC(C)(C)c1cccc(C#N)c1)[C@H]1CCOC1 ZINC000595633789 345833437 /nfs/dbraw/zinc/83/34/37/345833437.db2.gz ZWVBJXJLXYIJLE-GOEBONIOSA-N 0 3 288.391 2.434 20 30 CEEDHN CO[C@@]1(CO)CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000595661780 345841264 /nfs/dbraw/zinc/84/12/64/345841264.db2.gz LOMYZAOYKKEUQK-CJNGLKHVSA-N 0 3 274.364 2.093 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](C2CCC2)C1 ZINC000595833791 345890392 /nfs/dbraw/zinc/89/03/92/345890392.db2.gz NBJCNEAMGWTXHN-UKRRQHHQSA-N 0 3 289.423 2.449 20 30 CEEDHN C[C@@]12COC[C@@H]1CN(Cc1ccc(C#N)c(F)c1)C2 ZINC000595755805 345867702 /nfs/dbraw/zinc/86/77/02/345867702.db2.gz CYEXVOJQEOQTPR-DZGCQCFKSA-N 0 3 260.312 2.166 20 30 CEEDHN Cn1cc(C[C@H]2CCC[C@@H]2NCc2ccncc2C#N)cn1 ZINC000595772677 345872719 /nfs/dbraw/zinc/87/27/19/345872719.db2.gz UJOZTVRENJMPRM-PBHICJAKSA-N 0 3 295.390 2.188 20 30 CEEDHN N#CCCOCCN1CCC([C@@H]2CCCCO2)CC1 ZINC000595784634 345876097 /nfs/dbraw/zinc/87/60/97/345876097.db2.gz UIOOBIAJHUHCAY-HNNXBMFYSA-N 0 3 266.385 2.198 20 30 CEEDHN N#CC1(NC(=O)CN(CCC2CC2)CC2CC2)CCC1 ZINC000595871472 345902960 /nfs/dbraw/zinc/90/29/60/345902960.db2.gz OQIFVTMUEOBTAK-UHFFFAOYSA-N 0 3 275.396 2.061 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@@H]1CC1(C)C ZINC000595912327 345912151 /nfs/dbraw/zinc/91/21/51/345912151.db2.gz JRZHIPAIIOGOCK-DVOMOZLQSA-N 0 3 279.428 2.407 20 30 CEEDHN N#CC1(NC(=O)CN2CCC[C@@H]3CCCC[C@@H]32)CCC1 ZINC000595914176 345912237 /nfs/dbraw/zinc/91/22/37/345912237.db2.gz CZAFFIZAUOCZRA-KBPBESRZSA-N 0 3 275.396 2.203 20 30 CEEDHN Cc1cc(NC2CCN(C)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596061791 345930278 /nfs/dbraw/zinc/93/02/78/345930278.db2.gz KRUIDTFIBHEWRU-UHFFFAOYSA-N 0 3 274.324 2.281 20 30 CEEDHN C=CCCC(C)(C)NC(=O)[C@@H](N)CCCCC#N ZINC000595981877 345920678 /nfs/dbraw/zinc/92/06/78/345920678.db2.gz GHVXLYKPASDMSC-LBPRGKRZSA-N 0 3 251.374 2.259 20 30 CEEDHN Cc1ccc(N(CCN(C)C)Cc2ccc(C#N)cc2)nn1 ZINC000596158093 345955129 /nfs/dbraw/zinc/95/51/29/345955129.db2.gz PLYWOWJPESEFAQ-UHFFFAOYSA-N 0 3 295.390 2.225 20 30 CEEDHN CN(C)C[C@H]1CCCN1c1nc2ncccc2cc1C#N ZINC000596156906 345955181 /nfs/dbraw/zinc/95/51/81/345955181.db2.gz NWHKFMPXYFZGNJ-CQSZACIVSA-N 0 3 281.363 2.032 20 30 CEEDHN CN(C(=O)c1cc(F)c(C#N)c(F)c1)C1CCN(C)CC1 ZINC000596625357 346067869 /nfs/dbraw/zinc/06/78/69/346067869.db2.gz PAVRXMQTEPANOB-UHFFFAOYSA-N 0 3 293.317 2.003 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000596789561 346090473 /nfs/dbraw/zinc/09/04/73/346090473.db2.gz UJCIGOYSXRWFJK-ZBFHGGJFSA-N 0 3 285.391 2.317 20 30 CEEDHN C[C@@H](CC#N)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000596973576 346111371 /nfs/dbraw/zinc/11/13/71/346111371.db2.gz PUBRVRAOGZFYBP-ZDUSSCGKSA-N 0 3 291.370 2.266 20 30 CEEDHN COC(=O)c1ccc(CNCCCC#N)cc1F ZINC000597081036 346125703 /nfs/dbraw/zinc/12/57/03/346125703.db2.gz ANGUFNCBZHGCOP-UHFFFAOYSA-N 0 3 250.273 2.006 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CO[C@@H](C3CC3)C2)cc1F ZINC000597142698 346134466 /nfs/dbraw/zinc/13/44/66/346134466.db2.gz CLUZRPBXGRVELM-UKRRQHHQSA-N 0 3 260.312 2.354 20 30 CEEDHN COC(=O)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1F ZINC000597156038 346137611 /nfs/dbraw/zinc/13/76/11/346137611.db2.gz LHUGLULZJDKHSF-CMPLNLGQSA-N 0 3 276.311 2.394 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)CC2(C#N)CCCCC2)CCN1C ZINC000597293793 346168553 /nfs/dbraw/zinc/16/85/53/346168553.db2.gz HVDCICGJXGCTRX-UONOGXRCSA-N 0 3 277.412 2.449 20 30 CEEDHN CC1(C)COCN1C(=O)C(C#N)CCc1ccccc1 ZINC000597619614 346208969 /nfs/dbraw/zinc/20/89/69/346208969.db2.gz IRFDKWHBDGJCIV-AWEZNQCLSA-N 0 3 272.348 2.354 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC2(CCSCC2)CC1 ZINC000602584986 347089402 /nfs/dbraw/zinc/08/94/02/347089402.db2.gz ADLBEGANQRQPGH-ZDUSSCGKSA-N 0 3 295.452 2.143 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000597823487 346236250 /nfs/dbraw/zinc/23/62/50/346236250.db2.gz REHSRMOKXLAZKK-RHSMWYFYSA-N 0 3 285.391 2.317 20 30 CEEDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cscc1C#N)C2 ZINC000597709750 346219450 /nfs/dbraw/zinc/21/94/50/346219450.db2.gz BCWKKBWXWMDOIO-OAHLLOKOSA-N 0 3 289.404 2.178 20 30 CEEDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cccc(CC#N)c1)C2 ZINC000597714864 346220567 /nfs/dbraw/zinc/22/05/67/346220567.db2.gz KMJJDFCOKUYIGT-GOSISDBHSA-N 0 3 297.402 2.311 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CCN(c2ccccc2Cl)C1 ZINC000597878416 346243938 /nfs/dbraw/zinc/24/39/38/346243938.db2.gz RHPPHOHTRUGCPW-NWDGAFQWSA-N 0 3 291.782 2.442 20 30 CEEDHN COCC1(N(C)C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000597940696 346255388 /nfs/dbraw/zinc/25/53/88/346255388.db2.gz NHOBCDHJNVDHFN-HNNXBMFYSA-N 0 3 286.375 2.396 20 30 CEEDHN C[C@H](C#N)N(C(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC000598127274 346294163 /nfs/dbraw/zinc/29/41/63/346294163.db2.gz AFIUODMJWHCVLX-CHWSQXEVSA-N 0 3 263.385 2.154 20 30 CEEDHN CC(C#N)C(=O)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000598139293 346300004 /nfs/dbraw/zinc/30/00/04/346300004.db2.gz MIAYBGPYGDBVJH-WCQYABFASA-N 0 3 274.320 2.119 20 30 CEEDHN CCCN1CC[C@H](NC(=O)[C@H](C#N)CCc2ccccc2)C1 ZINC000598342412 346332212 /nfs/dbraw/zinc/33/22/12/346332212.db2.gz MUNLOUWWWCFSLI-IRXDYDNUSA-N 0 3 299.418 2.359 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)C1(C#N)CCCC1 ZINC000598263145 346315850 /nfs/dbraw/zinc/31/58/50/346315850.db2.gz PTTQTHWAMYMUFT-AWEZNQCLSA-N 0 3 277.412 2.307 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccc(C#N)s1 ZINC000598261883 346316031 /nfs/dbraw/zinc/31/60/31/346316031.db2.gz HMWBXHXRYSSHQQ-LBPRGKRZSA-N 0 3 291.420 2.470 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1C[C@H](O)C12CCC2 ZINC000598304857 346322388 /nfs/dbraw/zinc/32/23/88/346322388.db2.gz JLHAPTXKIUNWNI-JYJNAYRXSA-N 0 3 298.386 2.179 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)NCC1(C#N)CCCCC1 ZINC000598307589 346323536 /nfs/dbraw/zinc/32/35/36/346323536.db2.gz RWGRSQYREVEVMK-AWEZNQCLSA-N 0 3 277.412 2.451 20 30 CEEDHN CN1CCN(C[C@@H](O)CC(C)(C)C#N)CC12CCCCC2 ZINC000598619940 346385479 /nfs/dbraw/zinc/38/54/79/346385479.db2.gz IZFNQEGWHOWFHQ-HNNXBMFYSA-N 0 3 293.455 2.237 20 30 CEEDHN COc1cc(CN2CC[C@H](C)[C@H](CO)C2)ccc1C#N ZINC000598678359 346399826 /nfs/dbraw/zinc/39/98/26/346399826.db2.gz WUBKRVQKNRLWDJ-WFASDCNBSA-N 0 3 274.364 2.017 20 30 CEEDHN COc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1F ZINC000598699762 346403359 /nfs/dbraw/zinc/40/33/59/346403359.db2.gz ISKKFFRGVOEMQT-LBPRGKRZSA-N 0 3 280.343 2.225 20 30 CEEDHN CN1Cc2ccccc2[C@@H](NC[C@@H](O)CC(C)(C)C#N)C1 ZINC000598725813 346409883 /nfs/dbraw/zinc/40/98/83/346409883.db2.gz PIMRUZUJOFMYIA-HOCLYGCPSA-N 0 3 287.407 2.063 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1COCc2ccccc21 ZINC000598727199 346409925 /nfs/dbraw/zinc/40/99/25/346409925.db2.gz DQHFYQKMSMVJLJ-ZFWWWQNUSA-N 0 3 274.364 2.148 20 30 CEEDHN C=C[C@@H](C)NCc1cc(C(=O)OC)c2n1CCCC2 ZINC000598637146 346389601 /nfs/dbraw/zinc/38/96/01/346389601.db2.gz YQCQEVAFSQYZKD-LLVKDONJSA-N 0 3 262.353 2.275 20 30 CEEDHN Cc1cscc1CNC[C@H](O)CC(C)(C)C#N ZINC000598724792 346409191 /nfs/dbraw/zinc/40/91/91/346409191.db2.gz QWCRQQOZJKCTJD-GFCCVEGCSA-N 0 3 252.383 2.447 20 30 CEEDHN Cc1ccc(CN(C)C[C@@H]2CCC[C@H]2O)cc1C#N ZINC000599340740 346502778 /nfs/dbraw/zinc/50/27/78/346502778.db2.gz ZTFIVTWRPVCQPT-GOEBONIOSA-N 0 3 258.365 2.460 20 30 CEEDHN Cc1ccc(CN(C)CCc2cnccn2)cc1C#N ZINC000599347508 346503065 /nfs/dbraw/zinc/50/30/65/346503065.db2.gz SPOCCOGWPUYRKH-UHFFFAOYSA-N 0 3 266.348 2.331 20 30 CEEDHN C[C@H](NCCOC1CCOCC1)c1cccc(C#N)c1 ZINC000599348585 346503949 /nfs/dbraw/zinc/50/39/49/346503949.db2.gz HEQQOXKOMRIVTN-ZDUSSCGKSA-N 0 3 274.364 2.404 20 30 CEEDHN CC[C@H]1CN(C)CCN1Cc1ccc(C)c(C#N)c1 ZINC000599428690 346517771 /nfs/dbraw/zinc/51/77/71/346517771.db2.gz IULHINLJNFQVDH-INIZCTEOSA-N 0 3 257.381 2.393 20 30 CEEDHN CC[C@@H]1CN(C)CCN1Cc1ccc(C)c(C#N)c1 ZINC000599428691 346517930 /nfs/dbraw/zinc/51/79/30/346517930.db2.gz IULHINLJNFQVDH-MRXNPFEDSA-N 0 3 257.381 2.393 20 30 CEEDHN Cc1ccc(CN2CCC[C@H](CCO)C2)cc1C#N ZINC000599284850 346490500 /nfs/dbraw/zinc/49/05/00/346490500.db2.gz FVPZOZXWOCISHS-CQSZACIVSA-N 0 3 258.365 2.461 20 30 CEEDHN C[C@@]1(CNCc2cccc(C#N)n2)CCO[C@@H]1C1CC1 ZINC000602612957 347102499 /nfs/dbraw/zinc/10/24/99/347102499.db2.gz VTWCUEDELNXYKC-CVEARBPZSA-N 0 3 271.364 2.248 20 30 CEEDHN Cn1cncc1CCCN1CCc2c(CC#N)cccc2C1 ZINC000599676562 346561562 /nfs/dbraw/zinc/56/15/62/346561562.db2.gz BMRQOKRXMAKLID-UHFFFAOYSA-N 0 3 294.402 2.477 20 30 CEEDHN COC(=O)C1(CNCc2cccc(C#N)n2)CCCCC1 ZINC000602608604 347100495 /nfs/dbraw/zinc/10/04/95/347100495.db2.gz PTODMXABRLMEAI-UHFFFAOYSA-N 0 3 287.363 2.166 20 30 CEEDHN C[C@@H]1CC(F)(F)CCN1C[C@H](O)CC(C)(C)C#N ZINC000599628486 346548305 /nfs/dbraw/zinc/54/83/05/346548305.db2.gz UKZFDLNZLRKDCL-GHMZBOCLSA-N 0 3 260.328 2.407 20 30 CEEDHN CCN(C(=O)c1ccc(C#N)cc1C)C1CCN(C)CC1 ZINC000599985352 346589422 /nfs/dbraw/zinc/58/94/22/346589422.db2.gz CWUMJMZBKZHNMV-UHFFFAOYSA-N 0 3 285.391 2.423 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000600538346 346651766 /nfs/dbraw/zinc/65/17/66/346651766.db2.gz WMCMBBYCMKJQME-ONGXEEELSA-N 0 3 295.745 2.334 20 30 CEEDHN CN(CC1(C)COC1)C(=O)C(C#N)CCc1ccccc1 ZINC000600303052 346631857 /nfs/dbraw/zinc/63/18/57/346631857.db2.gz ABCVFXXMAGMZGO-OAHLLOKOSA-N 0 3 286.375 2.254 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@H]2COc3c2cccc3Cl)CC1 ZINC000600731750 346680145 /nfs/dbraw/zinc/68/01/45/346680145.db2.gz UGOZMGBUSSKEOX-GWCFXTLKSA-N 0 3 292.766 2.418 20 30 CEEDHN CN1CCC[C@@]2(CCN(c3cc(C#N)nc(C4CC4)n3)C2)C1 ZINC000601170079 346776169 /nfs/dbraw/zinc/77/61/69/346776169.db2.gz UVWXGQUSNCQSDN-QGZVFWFLSA-N 0 3 297.406 2.148 20 30 CEEDHN CC[C@H]1CN(C)CCCN1c1ncc2c(c1C#N)CCC2 ZINC000601189043 346781417 /nfs/dbraw/zinc/78/14/17/346781417.db2.gz OONQIOOGDWMDND-AWEZNQCLSA-N 0 3 284.407 2.362 20 30 CEEDHN Cc1ccc(CNC2CCN(CC#N)CC2)c(F)c1 ZINC000601106661 346754005 /nfs/dbraw/zinc/75/40/05/346754005.db2.gz UIWYTHPUTJVLLN-UHFFFAOYSA-N 0 3 261.344 2.212 20 30 CEEDHN CN(Cc1cccc(C#N)n1)CC1(O)CCCCCC1 ZINC000602625524 347109413 /nfs/dbraw/zinc/10/94/13/347109413.db2.gz QWFBVKJOHIWGRA-UHFFFAOYSA-N 0 3 273.380 2.470 20 30 CEEDHN CN1CCC(n2cc(Nc3cccc(C#N)n3)cn2)CC1 ZINC000601226625 346795517 /nfs/dbraw/zinc/79/55/17/346795517.db2.gz PCQYLGUBRDRYJJ-UHFFFAOYSA-N 0 3 282.351 2.160 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCc3cc(O)ccc3C2)n1 ZINC000602635416 347116165 /nfs/dbraw/zinc/11/61/65/347116165.db2.gz YINQKKKQXWJJIH-CQSZACIVSA-N 0 3 279.343 2.306 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNCc1cccc(C#N)n1 ZINC000602643509 347120302 /nfs/dbraw/zinc/12/03/02/347120302.db2.gz LVDJFWDRCFCPHI-HNNXBMFYSA-N 0 3 272.396 2.163 20 30 CEEDHN C[C@H](O)C[C@H]1CCCCN1Cc1cccc(C#N)n1 ZINC000602645150 347120887 /nfs/dbraw/zinc/12/08/87/347120887.db2.gz VBQBTLNKISDWPN-SWLSCSKDSA-N 0 3 259.353 2.079 20 30 CEEDHN CC[C@@H]1CN(C[C@@H](C)CCC#N)C[C@]2(CCOC2)O1 ZINC000602644918 347121239 /nfs/dbraw/zinc/12/12/39/347121239.db2.gz PFNBPEPQBXQZHH-ZNMIVQPWSA-N 0 3 266.385 2.196 20 30 CEEDHN CC(C)[C@@H](NCc1cccc(C#N)n1)C1(CO)CC=CC1 ZINC000602695663 347152935 /nfs/dbraw/zinc/15/29/35/347152935.db2.gz GIDVRDWNVPWOIP-MRXNPFEDSA-N 0 3 285.391 2.396 20 30 CEEDHN CCCC(=O)NC[C@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602772951 347192572 /nfs/dbraw/zinc/19/25/72/347192572.db2.gz WJFPCQZIIRNMOQ-CQSZACIVSA-N 0 3 277.412 2.309 20 30 CEEDHN CN(CCC(=O)OC(C)(C)C)CC1(CC#N)CC1 ZINC000602788751 347198765 /nfs/dbraw/zinc/19/87/65/347198765.db2.gz QDFBACCKEIIWKZ-UHFFFAOYSA-N 0 3 252.358 2.344 20 30 CEEDHN N#CCC1(CN[C@H](CN2CCOCC2)c2ccccc2)CC1 ZINC000602803039 347205791 /nfs/dbraw/zinc/20/57/91/347205791.db2.gz VOXKPRNMYQFGAB-QGZVFWFLSA-N 0 3 299.418 2.343 20 30 CEEDHN N#Cc1cc(F)cc(NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000602726838 347173460 /nfs/dbraw/zinc/17/34/60/347173460.db2.gz ZVBHYPMFCRCKFH-MRXNPFEDSA-N 0 3 289.354 2.363 20 30 CEEDHN COC(=O)[C@@]1(C)CN(Cc2cccc(C#N)c2)C[C@@H]1C ZINC000602729081 347174092 /nfs/dbraw/zinc/17/40/92/347174092.db2.gz JXPAEFAGDFVGDP-LRDDRELGSA-N 0 3 272.348 2.189 20 30 CEEDHN N#CCC1(CN2CC[C@](CO)(c3ccccc3)C2)CC1 ZINC000602838074 347219150 /nfs/dbraw/zinc/21/91/50/347219150.db2.gz PMFGNDWWTKGQKJ-KRWDZBQOSA-N 0 3 270.376 2.316 20 30 CEEDHN C=CCC[C@H](O)CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908308 347244794 /nfs/dbraw/zinc/24/47/94/347244794.db2.gz CLVKJZCKTANNFW-INIZCTEOSA-N 0 3 285.391 2.460 20 30 CEEDHN C[C@@H](NCCOCCC#N)c1ccc2[nH]c(=O)oc2c1 ZINC000602991992 347268679 /nfs/dbraw/zinc/26/86/79/347268679.db2.gz ZMTXXROZIINOTN-SNVBAGLBSA-N 0 3 275.308 2.114 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603074508 347282436 /nfs/dbraw/zinc/28/24/36/347282436.db2.gz KOKYINHKMOSIHN-UHFFFAOYSA-N 0 3 290.342 2.255 20 30 CEEDHN CN1CC=C(CNc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000603332070 347340205 /nfs/dbraw/zinc/34/02/05/347340205.db2.gz YBMQHIKWMLBRHD-UHFFFAOYSA-N 0 3 293.374 2.418 20 30 CEEDHN CC(C)(C)[C@@H](N)c1cn(Cc2ccc(F)c(C#N)c2)nn1 ZINC000603201928 347307620 /nfs/dbraw/zinc/30/76/20/347307620.db2.gz VJSGUKJNMFJHKK-AWEZNQCLSA-N 0 3 287.342 2.383 20 30 CEEDHN COc1cc(C#N)ccc1Cn1cc([C@H](N)C(C)(C)C)nn1 ZINC000603241027 347319297 /nfs/dbraw/zinc/31/92/97/347319297.db2.gz OIBNPFXODKMNTG-HNNXBMFYSA-N 0 3 299.378 2.253 20 30 CEEDHN CC[C@@](C)(N)c1cn(Cc2ccc(Cl)cc2C#N)nn1 ZINC000603245234 347320983 /nfs/dbraw/zinc/32/09/83/347320983.db2.gz ZPQGMOWRFBYYJA-CQSZACIVSA-N 0 3 289.770 2.435 20 30 CEEDHN C[C@H](N(C)CC(=O)N(CCC#N)CCC#N)C(C)(C)C ZINC000604323266 347410246 /nfs/dbraw/zinc/41/02/46/347410246.db2.gz GXTMIGLEIAFHBN-ZDUSSCGKSA-N 0 3 278.400 2.009 20 30 CEEDHN C=C(C)CN1CCC(Nc2nc(C)cc(OC)n2)CC1 ZINC000605147461 347442536 /nfs/dbraw/zinc/44/25/36/347442536.db2.gz BMRLIIAQCVHVMX-UHFFFAOYSA-N 0 3 276.384 2.246 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000129790570 365895117 /nfs/dbraw/zinc/89/51/17/365895117.db2.gz RNRKFFKMIHXJOM-ZOBUZTSGSA-N 0 3 284.403 2.250 20 30 CEEDHN N#Cc1ccc(N[C@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609384331 347637524 /nfs/dbraw/zinc/63/75/24/347637524.db2.gz KAOHYWAEPPAPDQ-ZDUSSCGKSA-N 0 3 286.335 2.363 20 30 CEEDHN N#Cc1ccc(CCC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000609382477 347637704 /nfs/dbraw/zinc/63/77/04/347637704.db2.gz BHZLNQYTUFHJBZ-QGZVFWFLSA-N 0 3 297.402 2.091 20 30 CEEDHN COC[C@H]1CCCN1CCOc1ccccc1C#N ZINC000610605151 347695399 /nfs/dbraw/zinc/69/53/99/347695399.db2.gz NPVRJQDYKAUFNT-CQSZACIVSA-N 0 3 260.337 2.048 20 30 CEEDHN CN(C)C(=O)CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392547 347772369 /nfs/dbraw/zinc/77/23/69/347772369.db2.gz VLPNVZXRYANCCD-OAHLLOKOSA-N 0 3 271.364 2.004 20 30 CEEDHN N#CCN1CCC(NCc2ncccc2C(F)(F)F)CC1 ZINC000611223130 347753275 /nfs/dbraw/zinc/75/32/75/347753275.db2.gz FQPIKHOBVDRUBM-UHFFFAOYSA-N 0 3 298.312 2.178 20 30 CEEDHN C[C@@H](N[C@H]1CCCN(C)C1)c1ccc(C#N)cc1F ZINC000611586607 347797656 /nfs/dbraw/zinc/79/76/56/347797656.db2.gz FOJCCPOHRUKKGM-YPMHNXCESA-N 0 3 261.344 2.442 20 30 CEEDHN N#Cc1ccc(CN2CCC(NCc3cocn3)CC2)cc1 ZINC000611474323 347783254 /nfs/dbraw/zinc/78/32/54/347783254.db2.gz PXGJCABAQZINSC-UHFFFAOYSA-N 0 3 296.374 2.300 20 30 CEEDHN COCCOc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cn1 ZINC000613255075 348009466 /nfs/dbraw/zinc/00/94/66/348009466.db2.gz FLEMYXLRBKHJEH-DZGCQCFKSA-N 0 3 289.379 2.279 20 30 CEEDHN C[C@H](CCN1C(=O)c2ccccc2C1=O)NCC(C)(C)C#N ZINC000613620697 348080496 /nfs/dbraw/zinc/08/04/96/348080496.db2.gz WFLIQQWDWUVABX-GFCCVEGCSA-N 0 3 299.374 2.201 20 30 CEEDHN COC[C@](C)(CCO)NCc1ccc(C(C)(C)C#N)cc1 ZINC000614171213 348154113 /nfs/dbraw/zinc/15/41/13/348154113.db2.gz GHZSQWUMEVWHBJ-KRWDZBQOSA-N 0 3 290.407 2.365 20 30 CEEDHN Cc1ccnc(N(C)[C@H]2CCN(C)[C@H](C)C2)c1C#N ZINC000273331821 192115809 /nfs/dbraw/zinc/11/58/09/192115809.db2.gz MEUHJAOEZVADBL-OLZOCXBDSA-N 0 3 258.369 2.181 20 30 CEEDHN Cc1c(Cl)cnc(N(C)[C@@H]2CCCN(C)C2)c1C#N ZINC000273415495 192143481 /nfs/dbraw/zinc/14/34/81/192143481.db2.gz YGTYVIDZYVPOGK-LLVKDONJSA-N 0 3 278.787 2.446 20 30 CEEDHN CC(C#N)C(=O)NCC(=O)c1c(Cl)cccc1Cl ZINC000616920373 348584412 /nfs/dbraw/zinc/58/44/12/348584412.db2.gz DAIJZTVTWMFCKY-SSDOTTSWSA-N 0 3 285.130 2.452 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000617779849 348790432 /nfs/dbraw/zinc/79/04/32/348790432.db2.gz JNVYMGHOSRPPGC-ZFWWWQNUSA-N 0 3 262.397 2.428 20 30 CEEDHN C=CCN(C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)[C@H](C)COC ZINC000617579009 348742081 /nfs/dbraw/zinc/74/20/81/348742081.db2.gz WAGDTWBTGDXNSB-TUVASFSCSA-N 0 3 282.428 2.297 20 30 CEEDHN C=CCOCCCNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000618522729 348965581 /nfs/dbraw/zinc/96/55/81/348965581.db2.gz RNQNSSWGHDIKKX-OAHLLOKOSA-N 0 3 282.428 2.206 20 30 CEEDHN COC(=O)c1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)[nH]1 ZINC000618831434 349047996 /nfs/dbraw/zinc/04/79/96/349047996.db2.gz RMFVDLUURKLKEE-OAHLLOKOSA-N 0 3 295.342 2.450 20 30 CEEDHN COC[C@H](NCc1ccc(C#N)cc1C)[C@@H]1CCCO1 ZINC000619060417 349107106 /nfs/dbraw/zinc/10/71/06/349107106.db2.gz VVKQVIZEIDTEHY-HOTGVXAUSA-N 0 3 274.364 2.150 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000618990851 349088648 /nfs/dbraw/zinc/08/86/48/349088648.db2.gz QJCOPTGHKPFOEQ-CABCVRRESA-N 0 3 282.428 2.204 20 30 CEEDHN CC(C)[C@H](C(=O)N[C@H]1CCc2cc(C#N)ccc21)N(C)C ZINC000618890082 349060494 /nfs/dbraw/zinc/06/04/94/349060494.db2.gz AQDHWXCDOPGTEU-JKSUJKDBSA-N 0 3 285.391 2.248 20 30 CEEDHN CN1CCC[C@@H](NC(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000619434957 349180250 /nfs/dbraw/zinc/18/02/50/349180250.db2.gz ULSGKAPSKONBQL-HZPDHXFCSA-N 0 3 285.391 2.284 20 30 CEEDHN CO[C@@]1(C)CCCN(Cc2ccnc(C#N)c2)CC1 ZINC000619512869 349191901 /nfs/dbraw/zinc/19/19/01/349191901.db2.gz QGMPSUAXDZEKKO-HNNXBMFYSA-N 0 3 259.353 2.344 20 30 CEEDHN CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000619417540 349174963 /nfs/dbraw/zinc/17/49/63/349174963.db2.gz RXNUPQITVIXXIZ-AWEZNQCLSA-N 0 3 267.332 2.109 20 30 CEEDHN COc1cccc([C@H](CO)N[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000619672859 349215248 /nfs/dbraw/zinc/21/52/48/349215248.db2.gz RLNFPEPCVWGYDJ-KYOSRNDESA-N 0 3 260.337 2.010 20 30 CEEDHN C[S@](=O)C1(CN[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000619674047 349216047 /nfs/dbraw/zinc/21/60/47/349216047.db2.gz VXHQLRNJFVOJAF-QRWLVFNGSA-N 0 3 288.416 2.436 20 30 CEEDHN N#Cc1ccc(OCCCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090906178 180060913 /nfs/dbraw/zinc/06/09/13/180060913.db2.gz NBOJWXJEZRCJJN-IYBDPMFKSA-N 0 3 272.348 2.190 20 30 CEEDHN N#Cc1cccc(OC2CCN(CCn3cccn3)CC2)c1 ZINC000104716221 186018420 /nfs/dbraw/zinc/01/84/20/186018420.db2.gz OYHGLRGLPNDUIJ-UHFFFAOYSA-N 0 3 296.374 2.298 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cocn1)C(C)C ZINC000105316701 186051896 /nfs/dbraw/zinc/05/18/96/186051896.db2.gz LZVAMQPWCAWIFS-AWEZNQCLSA-N 0 3 277.368 2.103 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2(C#N)CCCC2)CC1 ZINC000106038399 186099483 /nfs/dbraw/zinc/09/94/83/186099483.db2.gz IHJHBZLKRFEVRR-UHFFFAOYSA-N 0 3 275.396 2.227 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)nc2C)CC1 ZINC000106040830 186099572 /nfs/dbraw/zinc/09/95/72/186099572.db2.gz VOGQUQPBAJPTLW-UHFFFAOYSA-N 0 3 287.407 2.469 20 30 CEEDHN C[C@H]1[C@H](CO)CCCN1Cc1cc(C#N)cs1 ZINC000335633811 212347835 /nfs/dbraw/zinc/34/78/35/212347835.db2.gz NUTFJSVHPOYTDX-JQWIXIFHSA-N 0 3 250.367 2.213 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](CO)CC1 ZINC000339749821 215324949 /nfs/dbraw/zinc/32/49/49/215324949.db2.gz YTSLLSLBUALTRR-CYBMUJFWSA-N 0 3 274.364 2.161 20 30 CEEDHN Cc1cc(NC[C@@H]2CCCN2C)c(C#N)cc1[N+](=O)[O-] ZINC000413087725 233523055 /nfs/dbraw/zinc/52/30/55/233523055.db2.gz VOGBREURORSNPF-LBPRGKRZSA-N 0 3 274.324 2.281 20 30 CEEDHN C=CC[C@H]1CCN(Cc2cc(=O)n3c(C)csc3n2)C1 ZINC000625704018 350551616 /nfs/dbraw/zinc/55/16/16/350551616.db2.gz MRLKOXQYGCDVMR-LBPRGKRZSA-N 0 3 289.404 2.462 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(F)cc2OC)CC1 ZINC000108706327 186227516 /nfs/dbraw/zinc/22/75/16/186227516.db2.gz 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/nfs/dbraw/zinc/88/22/67/367882267.db2.gz JSKHVJDRZFKOSY-CYBMUJFWSA-N 0 3 297.443 2.140 20 30 CEEDHN N#CCc1ccc(CN2CCSC[C@H]2CCO)cc1 ZINC000343577230 367896096 /nfs/dbraw/zinc/89/60/96/367896096.db2.gz MBPKVAZOPHTBCC-OAHLLOKOSA-N 0 3 276.405 2.052 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000174379290 368016918 /nfs/dbraw/zinc/01/69/18/368016918.db2.gz MNCDLNJLCIIQQH-ZIAGYGMSSA-N 0 3 298.390 2.214 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)NCC1=CCN(C)CC1 ZINC000343812932 368018958 /nfs/dbraw/zinc/01/89/58/368018958.db2.gz NQVLLGNNSPBWKZ-ZDUSSCGKSA-N 0 3 265.401 2.292 20 30 CEEDHN C=C1CC(C)(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)C1 ZINC000633032905 368031423 /nfs/dbraw/zinc/03/14/23/368031423.db2.gz NVFDMMCPIFDVBL-KBPBESRZSA-N 0 3 262.397 2.428 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC[C@H](C(C)(C)C)C1 ZINC000344183385 368113085 /nfs/dbraw/zinc/11/30/85/368113085.db2.gz AFRXBZULQJWRDZ-ZDUSSCGKSA-N 0 3 265.401 2.117 20 30 CEEDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C)C#N ZINC000344220979 368115514 /nfs/dbraw/zinc/11/55/14/368115514.db2.gz RDCSJSGIVAKSOX-LLVKDONJSA-N 0 3 275.308 2.491 20 30 CEEDHN CCCN1CCC[C@@H]1CNc1nnc(C)c(C)c1C#N ZINC000343908959 368069457 /nfs/dbraw/zinc/06/94/57/368069457.db2.gz JFCXUHDJYQRKBV-CYBMUJFWSA-N 0 3 273.384 2.251 20 30 CEEDHN CN1CCC[C@@H]1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180397774 368380392 /nfs/dbraw/zinc/38/03/92/368380392.db2.gz PGGVKFKHBQUGHJ-OAHLLOKOSA-N 0 3 283.375 2.066 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000181094357 368421277 /nfs/dbraw/zinc/42/12/77/368421277.db2.gz XWKAQUCCLOWFOZ-UONOGXRCSA-N 0 3 267.417 2.467 20 30 CEEDHN C#CCSCCN[C@H](C)c1cnn(C(C)C)c1 ZINC000181101038 368421708 /nfs/dbraw/zinc/42/17/08/368421708.db2.gz QRRYGHDPNAGMDU-GFCCVEGCSA-N 0 3 251.399 2.481 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N(CCN(C)C)CC(C)C ZINC000345762161 368409363 /nfs/dbraw/zinc/40/93/63/368409363.db2.gz HTVWOJCJZSOLRU-AWEZNQCLSA-N 0 3 270.417 2.014 20 30 CEEDHN Cc1noc(CCN[C@H](C)c2ccc(OCC#N)cc2)n1 ZINC000181926846 368506300 /nfs/dbraw/zinc/50/63/00/368506300.db2.gz FAMBATPAQZWQBG-LLVKDONJSA-N 0 3 286.335 2.174 20 30 CEEDHN N#CCCCCN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000346019416 368518422 /nfs/dbraw/zinc/51/84/22/368518422.db2.gz SAKCWBANXBHKCQ-NXEZZACHSA-N 0 3 250.264 2.068 20 30 CEEDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346211546 368594812 /nfs/dbraw/zinc/59/48/12/368594812.db2.gz YDLMWJCUZUNJQB-PSOPSSQASA-N 0 3 289.354 2.263 20 30 CEEDHN C[C@H](CNCc1ccc(C#N)o1)N1CCC[C@@H](C)C1 ZINC000246154132 370916548 /nfs/dbraw/zinc/91/65/48/370916548.db2.gz LFEJIFUPVCINIQ-CHWSQXEVSA-N 0 3 261.369 2.361 20 30 CEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@]1(C#N)C[C@H]1C ZINC000448788373 261110630 /nfs/dbraw/zinc/11/06/30/261110630.db2.gz WVUPXOMWRWCBAI-YMSVYLFOSA-N 0 3 277.412 2.019 20 30 CEEDHN C=CCC[C@@H](O)CN[C@@H](CC)c1c(C)nn(C)c1C ZINC000348054175 368877181 /nfs/dbraw/zinc/87/71/81/368877181.db2.gz VLJNWKLYOCGWQN-KGLIPLIRSA-N 0 3 265.401 2.405 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1nc2ccccc2n1C ZINC000186683863 369017832 /nfs/dbraw/zinc/01/78/32/369017832.db2.gz RAQNVLOJINBVLT-RYUDHWBXSA-N 0 3 259.353 2.161 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000186686939 369019375 /nfs/dbraw/zinc/01/93/75/369019375.db2.gz HAPFBPVZEVTPBA-JQWIXIFHSA-N 0 3 253.317 2.422 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(OC)cc1OC ZINC000186714543 369026198 /nfs/dbraw/zinc/02/61/98/369026198.db2.gz AYXCECZRYCGYGL-VXGBXAGGSA-N 0 3 265.353 2.291 20 30 CEEDHN C=CCN1CC[C@H](N[C@H]2CCC[C@@H]2SCC)C1=O ZINC000348467263 369055099 /nfs/dbraw/zinc/05/50/99/369055099.db2.gz IBJNKYNJFPVWBZ-AVGNSLFASA-N 0 3 268.426 2.037 20 30 CEEDHN C=C(C)[C@@H](NC[C@@H](O)COC)c1ccc(F)c(F)c1 ZINC000187766142 369219173 /nfs/dbraw/zinc/21/91/73/369219173.db2.gz AZEYLCQPSLKKJO-BXUZGUMPSA-N 0 3 271.307 2.179 20 30 CEEDHN C[C@H]1C[C@H](N(C)C(=O)c2cccc(F)c2C#N)CCN1C ZINC000188225633 369321050 /nfs/dbraw/zinc/32/10/50/369321050.db2.gz XQMBDZUCHBZDGI-NWDGAFQWSA-N 0 3 289.354 2.252 20 30 CEEDHN Cc1nc(C)c(C#N)c(SC[C@H](C)N(C)C)n1 ZINC000330863248 203327095 /nfs/dbraw/zinc/32/70/95/203327095.db2.gz ALFPEDQNEWJPKO-QMMMGPOBSA-N 0 3 250.371 2.007 20 30 CEEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000351472535 369636681 /nfs/dbraw/zinc/63/66/81/369636681.db2.gz PICZIQUPFXUVMC-QWRGUYRKSA-N 0 3 273.336 2.360 20 30 CEEDHN CCC(CC)[C@@H]1C[C@H](NC(=O)C(C)C#N)CCO1 ZINC000351603158 369644158 /nfs/dbraw/zinc/64/41/58/369644158.db2.gz VLRGDDGGYJCHLS-RTXFEEFZSA-N 0 3 252.358 2.246 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CCCC[C@@H]1CCC(C)C ZINC000351680755 369648270 /nfs/dbraw/zinc/64/82/70/369648270.db2.gz SUGQLQILFJTRQC-CQSZACIVSA-N 0 3 295.427 2.289 20 30 CEEDHN C=CCN(CCOC)CCOc1cccc(OC)c1 ZINC000191140068 369683967 /nfs/dbraw/zinc/68/39/67/369683967.db2.gz UDEMOIHEZUWWBS-UHFFFAOYSA-N 0 3 265.353 2.208 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191889800 369750535 /nfs/dbraw/zinc/75/05/35/369750535.db2.gz HCCGCLCPGRNWTP-HNNXBMFYSA-N 0 3 284.359 2.476 20 30 CEEDHN COCCOC[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192045866 369767900 /nfs/dbraw/zinc/76/79/00/369767900.db2.gz FKRWEOWHAVXBSX-CQSZACIVSA-N 0 3 292.354 2.182 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)N[C@@H](CC)CN2CCCC2)C1 ZINC000636921960 369768524 /nfs/dbraw/zinc/76/85/24/369768524.db2.gz OUHMTRPJHXXFCA-GJZGRUSLSA-N 0 3 279.428 2.468 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@]3(CCOC3)C2)cc1F ZINC000192068211 369770895 /nfs/dbraw/zinc/77/08/95/369770895.db2.gz BJZWLITUWDTVCC-OAHLLOKOSA-N 0 3 260.312 2.310 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@]1(CO)CC(C)C ZINC000191641381 369729051 /nfs/dbraw/zinc/72/90/51/369729051.db2.gz VFVYTEMSJDZJCH-QGZVFWFLSA-N 0 3 296.455 2.284 20 30 CEEDHN CCN1CCN(Cc2cc(C#N)ccc2OC)[C@H](C)C1 ZINC000352699030 369843911 /nfs/dbraw/zinc/84/39/11/369843911.db2.gz OACSFLYTKPIIEG-CYBMUJFWSA-N 0 3 273.380 2.093 20 30 CEEDHN N#Cc1csc(CN[C@@H]2CCO[C@]3(CCSC3)C2)n1 ZINC000352793542 369880023 /nfs/dbraw/zinc/88/00/23/369880023.db2.gz FXEVMYXOSWZDKY-ZWNOBZJWSA-N 0 3 295.433 2.159 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H]1CSC[C@H]1C ZINC000352817186 369893540 /nfs/dbraw/zinc/89/35/40/369893540.db2.gz QEIBCHVVDHOBMY-MFKMUULPSA-N 0 3 262.378 2.408 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000637320901 369897659 /nfs/dbraw/zinc/89/76/59/369897659.db2.gz SFQXPPBKZZVJKN-CYBMUJFWSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCN(C(=O)NC[C@H]1CCN1C1CCCC1)C1CC1 ZINC000637477910 369954797 /nfs/dbraw/zinc/95/47/97/369954797.db2.gz WEMPMIUSDPEAAS-OAHLLOKOSA-N 0 3 277.412 2.363 20 30 CEEDHN Cc1cc(CN2C[C@H](N3CCOCC3)C[C@H]2C)ccc1C#N ZINC000352878296 369928815 /nfs/dbraw/zinc/92/88/15/369928815.db2.gz SYRSUWMPHRXIHN-CRAIPNDOSA-N 0 3 299.418 2.162 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1C=C[C@@H](CO)C1)CC2 ZINC000353262036 370102508 /nfs/dbraw/zinc/10/25/08/370102508.db2.gz DNLLAEDCYPCNGU-IVMMDQJWSA-N 0 3 254.333 2.072 20 30 CEEDHN COC(=O)CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000194540039 370048348 /nfs/dbraw/zinc/04/83/48/370048348.db2.gz RCONXZNHCBRWOY-UHFFFAOYSA-N 0 3 258.321 2.086 20 30 CEEDHN COCC[C@@H](COC)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353638615 370119253 /nfs/dbraw/zinc/11/92/53/370119253.db2.gz BEQRKTUEINWISG-GOEBONIOSA-N 0 3 274.364 2.187 20 30 CEEDHN C[C@@H](O)C1CCN(CCOc2ccccc2C#N)CC1 ZINC000225774681 370316818 /nfs/dbraw/zinc/31/68/18/370316818.db2.gz SJDCHDVXFDBQNB-CYBMUJFWSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)N(C)C ZINC000354410899 370351196 /nfs/dbraw/zinc/35/11/96/370351196.db2.gz CHVQRTGUSSOBFL-DZGCQCFKSA-N 0 3 273.380 2.140 20 30 CEEDHN COc1cc(CN[C@@]2(C)CCO[C@@H]2C)ccc1C#N ZINC000234947712 370550786 /nfs/dbraw/zinc/55/07/86/370550786.db2.gz HOFKVEGLAVFTEF-ABAIWWIYSA-N 0 3 260.337 2.224 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](C(C)C)CC1 ZINC000246688914 370994484 /nfs/dbraw/zinc/99/44/84/370994484.db2.gz IIKZRUFWHOFXSJ-ZIAGYGMSSA-N 0 3 295.427 2.145 20 30 CEEDHN C=CCCN(C)C(=O)NCC1(SC)CCN(C)CC1 ZINC000358430026 371063134 /nfs/dbraw/zinc/06/31/34/371063134.db2.gz YQHUNTLAJJHRBY-UHFFFAOYSA-N 0 3 285.457 2.031 20 30 CEEDHN C=CCN(CCOC)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000358446720 371069712 /nfs/dbraw/zinc/06/97/12/371069712.db2.gz OWNZFMCCBHCGSA-HUUCEWRRSA-N 0 3 297.443 2.093 20 30 CEEDHN CC[C@@]1(C)CCCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000247345211 371096843 /nfs/dbraw/zinc/09/68/43/371096843.db2.gz GHTLFLHWYAHHLB-HIFRSBDPSA-N 0 3 265.401 2.259 20 30 CEEDHN C[C@H](NC[C@H]1CCCN1C)c1ccc(C#N)cc1F ZINC000358569998 371122106 /nfs/dbraw/zinc/12/21/06/371122106.db2.gz MZUOLHGVBOFWIM-WCQYABFASA-N 0 3 261.344 2.442 20 30 CEEDHN C[C@@H](NC[C@H](O)C1CCOCC1)c1ccc(C#N)cc1F ZINC000358575570 371124751 /nfs/dbraw/zinc/12/47/51/371124751.db2.gz SYGKDEDWVQEQAB-BZNIZROVSA-N 0 3 292.354 2.135 20 30 CEEDHN C[C@H](C#N)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000248446882 371196841 /nfs/dbraw/zinc/19/68/41/371196841.db2.gz HDMWEGSYCASEBS-KFWWJZLASA-N 0 3 279.428 2.110 20 30 CEEDHN CC[S@](=O)[C@@H]1CCC[C@@H](NCc2cc(C#N)n(C)c2)C1 ZINC000249338232 371314982 /nfs/dbraw/zinc/31/49/82/371314982.db2.gz DAJJXFVTUHVLAB-RCDCFZSISA-N 0 3 293.436 2.066 20 30 CEEDHN CN(Cc1cc(C#N)ccc1F)[C@@H]1CCCC[C@H]1O ZINC000252725625 371473059 /nfs/dbraw/zinc/47/30/59/371473059.db2.gz WRGIAECNZOIGLG-HUUCEWRRSA-N 0 3 262.328 2.433 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)CCCC#N ZINC000360614953 371521866 /nfs/dbraw/zinc/52/18/66/371521866.db2.gz ZKEJLWMSTSQHPB-UHFFFAOYSA-N 0 3 265.401 2.405 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCN(C)[C@H](C(C)(C)C)C1 ZINC000639748440 371540949 /nfs/dbraw/zinc/54/09/49/371540949.db2.gz FJDIQJXATULQRB-HNNXBMFYSA-N 0 3 295.471 2.073 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000359993037 371497339 /nfs/dbraw/zinc/49/73/39/371497339.db2.gz JLVHSSRYRHBTJQ-MJBXVCDLSA-N 0 3 278.396 2.245 20 30 CEEDHN N#Cc1ccc(CN2CCN(CCC3CC3)CC2)cc1 ZINC000336828299 213724871 /nfs/dbraw/zinc/72/48/71/213724871.db2.gz ZVGSFDOXOQIOTC-UHFFFAOYSA-N 0 3 269.392 2.476 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C\c2ccc(C)o2)CC1 ZINC000255473693 371589971 /nfs/dbraw/zinc/58/99/71/371589971.db2.gz LPZFTVYJBGVLGW-SREVYHEPSA-N 0 3 274.364 2.368 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(c2cccc(F)c2)CC1 ZINC000640137223 371836807 /nfs/dbraw/zinc/83/68/07/371836807.db2.gz FAISRMQGYMCPHF-INIZCTEOSA-N 0 3 278.371 2.275 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)[C@]1(F)CCNC1 ZINC000361698568 372027880 /nfs/dbraw/zinc/02/78/80/372027880.db2.gz AVZJMDZOGURHAF-HNNXBMFYSA-N 0 3 280.318 2.042 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000361749592 372052452 /nfs/dbraw/zinc/05/24/52/372052452.db2.gz FNIVOUOHYUCZOO-LSDHHAIUSA-N 0 3 286.375 2.425 20 30 CEEDHN COc1ccc([C@H](C)N[C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000264829204 372006616 /nfs/dbraw/zinc/00/66/16/372006616.db2.gz CQCHYCMOWBEMDQ-STQMWFEESA-N 0 3 289.379 2.106 20 30 CEEDHN C=CCOc1ccc(CN2C[C@H](C)[C@@H](CO)C2)cc1OC ZINC000361658711 372009145 /nfs/dbraw/zinc/00/91/45/372009145.db2.gz YEMZZUSABIZHLL-DZGCQCFKSA-N 0 3 291.391 2.320 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)C(F)(F)F)CC1 ZINC000361784174 372069653 /nfs/dbraw/zinc/06/96/53/372069653.db2.gz ZCGDWXDKAVQCSP-JTQLQIEISA-N 0 3 278.318 2.342 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000267628016 372076888 /nfs/dbraw/zinc/07/68/88/372076888.db2.gz LSDHJSZCTSBRKE-AAEUAGOBSA-N 0 3 288.351 2.243 20 30 CEEDHN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)C(C)C#N ZINC000361853065 372099838 /nfs/dbraw/zinc/09/98/38/372099838.db2.gz BWRMJGLPLBEWHM-IJLUTSLNSA-N 0 3 252.358 2.198 20 30 CEEDHN N#Cc1ccc(CN2CCC(CCC(N)=O)CC2)cc1F ZINC000361861400 372104111 /nfs/dbraw/zinc/10/41/11/372104111.db2.gz ADJATTNBPDIOEH-UHFFFAOYSA-N 0 3 289.354 2.175 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000362288073 372298674 /nfs/dbraw/zinc/29/86/74/372298674.db2.gz PWOPBGBPHUJBSS-HOCLYGCPSA-N 0 3 283.375 2.033 20 30 CEEDHN COCCOC[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000344314306 217145653 /nfs/dbraw/zinc/14/56/53/217145653.db2.gz ZIIQKISITJKPRZ-STQMWFEESA-N 0 3 262.353 2.260 20 30 CEEDHN C[C@H](O)C[C@H](C)CNCc1ccc(C#N)cc1F ZINC000269414227 372443332 /nfs/dbraw/zinc/44/33/32/372443332.db2.gz JYYOMSJMOYMMQF-QWRGUYRKSA-N 0 3 250.317 2.194 20 30 CEEDHN N#Cc1ccc(CNC[C@@]2(O)CCc3ccccc32)cc1 ZINC000269854324 372580046 /nfs/dbraw/zinc/58/00/46/372580046.db2.gz YMRQGOYJGJQIEC-SFHVURJKSA-N 0 3 278.355 2.482 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc(OC(F)F)c(OC)c1 ZINC000641768675 372709065 /nfs/dbraw/zinc/70/90/65/372709065.db2.gz FUIJLERKRJZQTE-LBPRGKRZSA-N 0 3 299.317 2.161 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc(OC)c(Cl)c1 ZINC000641768967 372709466 /nfs/dbraw/zinc/70/94/66/372709466.db2.gz MUSPQVZPWFTIGK-LBPRGKRZSA-N 0 3 267.756 2.213 20 30 CEEDHN CS[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1N(C)C ZINC000270655497 372886501 /nfs/dbraw/zinc/88/65/01/372886501.db2.gz NAYWBIAGLHEWSI-HUUCEWRRSA-N 0 3 275.421 2.036 20 30 CEEDHN C#CC[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000365673686 372914761 /nfs/dbraw/zinc/91/47/61/372914761.db2.gz RAMNNXQQJPKNBT-MRXNPFEDSA-N 0 3 299.418 2.316 20 30 CEEDHN CCC#C[C@H](C)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000643403241 373111188 /nfs/dbraw/zinc/11/11/88/373111188.db2.gz YZLPPGHVXKNFFM-DOTOQJQBSA-N 0 3 257.377 2.424 20 30 CEEDHN C[C@H](NC[C@]1(O)CCSC1)c1ccc(C#N)c(F)c1 ZINC000271941346 373226973 /nfs/dbraw/zinc/22/69/73/373226973.db2.gz LYNXFQVRVBKNGU-IINYFYTJSA-N 0 3 280.368 2.216 20 30 CEEDHN COc1ccc(CNCC2([C@H](O)C(C)C)CC2)cc1C#N ZINC000271961132 373234513 /nfs/dbraw/zinc/23/45/13/373234513.db2.gz FVNJEBYSTGPLDH-MRXNPFEDSA-N 0 3 288.391 2.454 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000272044508 373277766 /nfs/dbraw/zinc/27/77/66/373277766.db2.gz DXRMIJZZTZFCEI-LRDDRELGSA-N 0 3 288.366 2.313 20 30 CEEDHN C#CCCN1CCN(CCCCCn2cc(C)cn2)CC1 ZINC000272000207 373254591 /nfs/dbraw/zinc/25/45/91/373254591.db2.gz HMZYERNQDDUQKC-UHFFFAOYSA-N 0 3 288.439 2.003 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)[C@H]1NCC1(C)C ZINC000644045517 373355518 /nfs/dbraw/zinc/35/55/18/373355518.db2.gz CQCKLBHQOMUMJU-GFCCVEGCSA-N 0 3 264.394 2.261 20 30 CEEDHN C=CCN(CCCN1CCOCC1)CCc1ccco1 ZINC000272315263 373426251 /nfs/dbraw/zinc/42/62/51/373426251.db2.gz SKVLLFWLWVWMQQ-UHFFFAOYSA-N 0 3 278.396 2.032 20 30 CEEDHN CC(C)[C@@H](O)CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272396529 373463033 /nfs/dbraw/zinc/46/30/33/373463033.db2.gz ZXIDFOIGTGZQQP-INIZCTEOSA-N 0 3 298.390 2.065 20 30 CEEDHN Cn1ccnc1[C@@H]1CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000369685040 373488921 /nfs/dbraw/zinc/48/89/21/373488921.db2.gz ZEQNTKJVKWZINA-CQSZACIVSA-N 0 3 283.379 2.010 20 30 CEEDHN C=CCOCCN[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000272595625 373569913 /nfs/dbraw/zinc/56/99/13/373569913.db2.gz SRNCUEUSMLUMPE-KPZWWZAWSA-N 0 3 267.394 2.277 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](NCCN1CC=CCC1)CC2 ZINC000353643098 220217409 /nfs/dbraw/zinc/21/74/09/220217409.db2.gz VOWWBIXPWGHQJT-KRWDZBQOSA-N 0 3 267.376 2.397 20 30 CEEDHN C=C(C)[C@H](CC(=O)N[C@H](C)C1=CCN(C)CC1)OCC ZINC000272673954 373610464 /nfs/dbraw/zinc/61/04/64/373610464.db2.gz JLMGPYHISYDUKW-HIFRSBDPSA-N 0 3 280.412 2.124 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H](C)Cc1ccccc1C ZINC000272841860 373676499 /nfs/dbraw/zinc/67/64/99/373676499.db2.gz JQJNVJDIAJVUEZ-AWEZNQCLSA-N 0 3 281.421 2.116 20 30 CEEDHN C=CCCc1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000274048084 373794264 /nfs/dbraw/zinc/79/42/64/373794264.db2.gz VCKVMKYIANYONF-UHFFFAOYSA-N 0 3 288.351 2.191 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000372015813 374022798 /nfs/dbraw/zinc/02/27/98/374022798.db2.gz NUQADWAOPSUZLA-APHBMKBZSA-N 0 3 288.366 2.189 20 30 CEEDHN CC[C@H]1[C@H](C)CCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000274962153 374109612 /nfs/dbraw/zinc/10/96/12/374109612.db2.gz JABBQZOKLOMQSE-CJNGLKHVSA-N 0 3 285.391 2.295 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(C#N)cc3)C[C@@H]21 ZINC000373191020 374290680 /nfs/dbraw/zinc/29/06/80/374290680.db2.gz NHNWWJONADDKMQ-HIFRSBDPSA-N 0 3 284.363 2.116 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H](c3nnc[nH]3)C2)cc1 ZINC000374047738 374474828 /nfs/dbraw/zinc/47/48/28/374474828.db2.gz DOQZJYGMWHJYPK-AWEZNQCLSA-N 0 3 267.336 2.056 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000574523134 335026613 /nfs/dbraw/zinc/02/66/13/335026613.db2.gz KTWMPGUFARNEQE-HIFRSBDPSA-N 0 3 287.319 2.290 20 30 CEEDHN C[C@@H]1COCCN(CCCOc2cccc(C#N)c2)C1 ZINC000374335526 374543650 /nfs/dbraw/zinc/54/36/50/374543650.db2.gz ZLCGMLDXJYKFJL-AWEZNQCLSA-N 0 3 274.364 2.295 20 30 CEEDHN C=CCC[C@H](O)CN1CCC(c2noc(C3CC3)n2)CC1 ZINC000375150286 374644964 /nfs/dbraw/zinc/64/49/64/374644964.db2.gz GBNJWVICVAAMSE-AWEZNQCLSA-N 0 3 291.395 2.454 20 30 CEEDHN C[C@H]1OCC[C@]12CN(CC(C)(C)CCC#N)CCO2 ZINC000377274127 374829806 /nfs/dbraw/zinc/82/98/06/374829806.db2.gz WBFWZAFYSNFUAA-HIFRSBDPSA-N 0 3 266.385 2.196 20 30 CEEDHN CN1CC[C@@H](CNc2ccc(C#N)nc2)[C@@H]1c1cccnc1 ZINC000377985439 374993811 /nfs/dbraw/zinc/99/38/11/374993811.db2.gz LQALJNRRNTWLRW-YOEHRIQHSA-N 0 3 293.374 2.453 20 30 CEEDHN CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000279810351 374996841 /nfs/dbraw/zinc/99/68/41/374996841.db2.gz XGBQACXDYCHYHE-INIZCTEOSA-N 0 3 283.375 2.143 20 30 CEEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2)[C@@]12CCCO2 ZINC000378576550 375129578 /nfs/dbraw/zinc/12/95/78/375129578.db2.gz CJQQWSZMQZXVIK-BBWFWOEESA-N 0 3 286.375 2.374 20 30 CEEDHN COC[C@@]1(C)CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000381418406 375174901 /nfs/dbraw/zinc/17/49/01/375174901.db2.gz ZUAHMNWKLAQKCM-INIZCTEOSA-N 0 3 274.364 2.425 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cn(C(C)(C)C)nn1 ZINC000280554749 375243745 /nfs/dbraw/zinc/24/37/45/375243745.db2.gz FGOXWZNGONFLMN-TZMCWYRMSA-N 0 3 278.400 2.104 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(C)nn(C)c1Cl ZINC000280703169 375289724 /nfs/dbraw/zinc/28/97/24/375289724.db2.gz SQRANLKRRRHTBR-WCQYABFASA-N 0 3 283.803 2.453 20 30 CEEDHN CC(C)N1CC[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000389234732 375300848 /nfs/dbraw/zinc/30/08/48/375300848.db2.gz JJRSBLNZIUKUJM-LBPRGKRZSA-N 0 3 274.324 2.361 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1nccnc1C ZINC000280933011 375346999 /nfs/dbraw/zinc/34/69/99/375346999.db2.gz VKGOOBVUEYSEPU-NFAWXSAZSA-N 0 3 261.369 2.417 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(SC)cc1 ZINC000280988625 375348146 /nfs/dbraw/zinc/34/81/46/375348146.db2.gz IWWLOIAEIVHFHQ-RYUDHWBXSA-N 0 3 276.405 2.197 20 30 CEEDHN C=CCN1CC[C@@H](N(C)Cc2cc(C)c(C)cc2O)C1=O ZINC000281190242 375362625 /nfs/dbraw/zinc/36/26/25/375362625.db2.gz IHERHIULSPWWGT-OAHLLOKOSA-N 0 3 288.391 2.228 20 30 CEEDHN CCCN(CCN1CCCC1)c1ccc(C#N)nc1 ZINC000286472921 375964452 /nfs/dbraw/zinc/96/44/52/375964452.db2.gz VZFXWQPYGWTZGI-UHFFFAOYSA-N 0 3 258.369 2.265 20 30 CEEDHN CN1CCN(c2cccc(C#N)n2)C[C@@H]1Cc1ccccc1 ZINC000286377983 375932164 /nfs/dbraw/zinc/93/21/64/375932164.db2.gz DOJXEQHIZXODBL-KRWDZBQOSA-N 0 3 292.386 2.316 20 30 CEEDHN CN(CCNc1ccnc(C#N)c1)Cc1ccccc1 ZINC000286405944 375942419 /nfs/dbraw/zinc/94/24/19/375942419.db2.gz OIAFBPZZFNVEES-UHFFFAOYSA-N 0 3 266.348 2.497 20 30 CEEDHN C[C@H](CC(=O)N(C)C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000417383735 376188437 /nfs/dbraw/zinc/18/84/37/376188437.db2.gz KPGXZUKENFBIOG-MLGOLLRUSA-N 0 3 285.391 2.392 20 30 CEEDHN CC(C)(CCC#N)CNC(=O)NC[C@H](N)c1ccccc1 ZINC000418205482 376239282 /nfs/dbraw/zinc/23/92/82/376239282.db2.gz MZZMAQUWNAQNGI-AWEZNQCLSA-N 0 3 288.395 2.316 20 30 CEEDHN C=CCC1(CNC(=O)N2CCCNCC2)CCCC1 ZINC000418245739 376243920 /nfs/dbraw/zinc/24/39/20/376243920.db2.gz BXSAVZBWWCMNDV-UHFFFAOYSA-N 0 3 265.401 2.128 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000289674735 376441672 /nfs/dbraw/zinc/44/16/72/376441672.db2.gz GBNJGMPQRJGUFV-IIDMSEBBSA-N 0 3 299.418 2.414 20 30 CEEDHN CN(Cc1cnc2ccc(C#N)cn12)C[C@@H]1CCCC[C@@H]1O ZINC000305810179 376502361 /nfs/dbraw/zinc/50/23/61/376502361.db2.gz HSRBMZAKTWFKEJ-HOCLYGCPSA-N 0 3 298.390 2.189 20 30 CEEDHN Cc1cnn([C@H]2CCN(CCOc3ccc(C#N)cc3)C2)c1 ZINC000290006531 376598085 /nfs/dbraw/zinc/59/80/85/376598085.db2.gz UDMNRVJMEQROIZ-INIZCTEOSA-N 0 3 296.374 2.389 20 30 CEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H](O)C1 ZINC000420901011 376733198 /nfs/dbraw/zinc/73/31/98/376733198.db2.gz JKTPDARTCIXDRS-OTVXOJSOSA-N 0 3 276.336 2.354 20 30 CEEDHN C=C(C)CN1CCC(Nc2nnnn2-c2ccccc2)CC1 ZINC000264481169 190112819 /nfs/dbraw/zinc/11/28/19/190112819.db2.gz LJFBKDTYFMTFJM-UHFFFAOYSA-N 0 3 298.394 2.115 20 30 CEEDHN C=C1CCN(C[C@H](O)COCc2cccc(OC)c2)CC1 ZINC000264504390 190114765 /nfs/dbraw/zinc/11/47/65/190114765.db2.gz DDPKOIXANJHRDH-INIZCTEOSA-N 0 3 291.391 2.225 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](C2CCCC2)C1 ZINC000420957455 376749153 /nfs/dbraw/zinc/74/91/53/376749153.db2.gz ALMXPTXFYKRSEU-OCCSQVGLSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](C2CCCC2)C1 ZINC000420957453 376749892 /nfs/dbraw/zinc/74/98/92/376749892.db2.gz ALMXPTXFYKRSEU-JSGCOSHPSA-N 0 3 250.386 2.189 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)Nc1cccc(CC#N)c1 ZINC000421161848 376792730 /nfs/dbraw/zinc/79/27/30/376792730.db2.gz SUSLPMKHEYSSBH-HNNXBMFYSA-N 0 3 286.379 2.311 20 30 CEEDHN C=CCOc1cccc(CN(C)C[C@@H](O)C2CC2)c1 ZINC000685461136 542142828 /nfs/dbraw/zinc/14/28/28/542142828.db2.gz QQQYZWJSNIODQC-MRXNPFEDSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCC[C@H](CO)NCc1c(C)nc2sc(C)cn12 ZINC000321530953 376829059 /nfs/dbraw/zinc/82/90/59/376829059.db2.gz YSFTXFTXHCPETG-GFCCVEGCSA-N 0 3 279.409 2.429 20 30 CEEDHN N#Cc1csc(CN[C@@H]2CCN(C3CCCC3)C2)n1 ZINC000562078526 376842928 /nfs/dbraw/zinc/84/29/28/376842928.db2.gz KVGUHRRDSKFGBH-LLVKDONJSA-N 0 3 276.409 2.121 20 30 CEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC000328668141 376876858 /nfs/dbraw/zinc/87/68/58/376876858.db2.gz LGVPFIHJSADBDX-XUJVJEKNSA-N 0 3 281.400 2.428 20 30 CEEDHN C#C[C@H](NC(=O)C1C[C@H](c2ccccc2)OC1=O)C(C)(C)C ZINC000290833480 376945520 /nfs/dbraw/zinc/94/55/20/376945520.db2.gz HTWYAGJSENCDOD-KFWWJZLASA-N 0 3 299.370 2.455 20 30 CEEDHN CCN(CCOc1cccc(C#N)c1)C[C@H](C)OC ZINC000291251051 377142040 /nfs/dbraw/zinc/14/20/40/377142040.db2.gz NXOBGGBIVBPKSP-ZDUSSCGKSA-N 0 3 262.353 2.294 20 30 CEEDHN Cc1nn(C)cc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000330997567 377229664 /nfs/dbraw/zinc/22/96/64/377229664.db2.gz VCCLLIKQFZMLAB-UHFFFAOYSA-N 0 3 278.400 2.155 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000292564960 377253867 /nfs/dbraw/zinc/25/38/67/377253867.db2.gz UQCYENWIJLUKHM-OLZOCXBDSA-N 0 3 291.420 2.206 20 30 CEEDHN C#CCN(C)CCCNc1cnc2cc(F)c(F)cc2n1 ZINC000292763666 377269650 /nfs/dbraw/zinc/26/96/50/377269650.db2.gz KLKXCYJQRWVMKZ-UHFFFAOYSA-N 0 3 290.317 2.275 20 30 CEEDHN C#Cc1cccc(NC(=O)N2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292661430 377260354 /nfs/dbraw/zinc/26/03/54/377260354.db2.gz OIZFRAKCTADTGI-QGZVFWFLSA-N 0 3 283.375 2.227 20 30 CEEDHN C#CCN(C)CCCNc1ccncc1Br ZINC000292888730 377333166 /nfs/dbraw/zinc/33/31/66/377333166.db2.gz VNFMOSPXACDZSL-UHFFFAOYSA-N 0 3 282.185 2.211 20 30 CEEDHN C#CCN(C)CCCNc1cccc(C(F)(F)F)n1 ZINC000292777832 377278300 /nfs/dbraw/zinc/27/83/00/377278300.db2.gz LNYGZXGRWKJSQH-UHFFFAOYSA-N 0 3 271.286 2.467 20 30 CEEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)CCOCC1 ZINC000424688913 377284093 /nfs/dbraw/zinc/28/40/93/377284093.db2.gz OJIBAPWFBBSLLP-LSDHHAIUSA-N 0 3 294.439 2.300 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H]1CCC[C@@]1(C)CO ZINC000331163601 377309351 /nfs/dbraw/zinc/30/93/51/377309351.db2.gz LVJOKINRNSEMOS-HOTGVXAUSA-N 0 3 274.364 2.208 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425754025 377380771 /nfs/dbraw/zinc/38/07/71/377380771.db2.gz HRZDAVGCLMUZDX-BFHYXJOUSA-N 0 3 265.401 2.077 20 30 CEEDHN C=CCOCCN(CCO)[C@@H]1CCc2ccccc21 ZINC000292900575 377342077 /nfs/dbraw/zinc/34/20/77/377342077.db2.gz VYBCCYLIXCUVNB-MRXNPFEDSA-N 0 3 261.365 2.171 20 30 CEEDHN C#CCCNC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000264957759 190147706 /nfs/dbraw/zinc/14/77/06/190147706.db2.gz DIBWBGZWJUHBKA-INIZCTEOSA-N 0 3 287.407 2.174 20 30 CEEDHN COc1cc(CN2CCC[C@H]2C(C)(C)O)ccc1C#N ZINC000331280663 377357826 /nfs/dbraw/zinc/35/78/26/377357826.db2.gz QKIADJJSUCNTEB-HNNXBMFYSA-N 0 3 274.364 2.302 20 30 CEEDHN C=CC[C@H](C(=O)NCCOCCN(C)C)c1ccccc1 ZINC000428046933 377480610 /nfs/dbraw/zinc/48/06/10/377480610.db2.gz HPIUOGIDUFAPNS-INIZCTEOSA-N 0 3 290.407 2.041 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@H](O)[C@@H](C)C2)cc1 ZINC000428466216 377493186 /nfs/dbraw/zinc/49/31/86/377493186.db2.gz WKYCMMGVAJISNH-BBRMVZONSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCOc1cccc(CN[C@H](CO)CC(F)F)c1 ZINC000428641098 377497464 /nfs/dbraw/zinc/49/74/64/377497464.db2.gz LRUUWBWALYQAFL-LBPRGKRZSA-N 0 3 271.307 2.357 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1ccc(C(=O)OC)cc1 ZINC000429717454 377519313 /nfs/dbraw/zinc/51/93/13/377519313.db2.gz CDKZBOXOWGYSBS-UHFFFAOYSA-N 0 3 290.407 2.413 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1ccoc1C(=O)OC ZINC000429712607 377520465 /nfs/dbraw/zinc/52/04/65/377520465.db2.gz SMBNXXPSBRAKOJ-UHFFFAOYSA-N 0 3 280.368 2.006 20 30 CEEDHN C#CCCNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000265095164 190157085 /nfs/dbraw/zinc/15/70/85/190157085.db2.gz RFUVWMCBKIMMCV-CQSZACIVSA-N 0 3 287.407 2.438 20 30 CEEDHN C[C@H]1CC[C@@H](N(C)CC(=O)NC2(C#N)CCCCC2)C1 ZINC000429587156 377517076 /nfs/dbraw/zinc/51/70/76/377517076.db2.gz DZHIKVQKEVRKEK-UONOGXRCSA-N 0 3 277.412 2.449 20 30 CEEDHN CC(C)[C@H](CO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346149356 217816359 /nfs/dbraw/zinc/81/63/59/217816359.db2.gz XQURDPRNCLRWPV-YGRLFVJLSA-N 0 3 250.317 2.365 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)NC1(CN(C)C)CCC1 ZINC000332477190 377617979 /nfs/dbraw/zinc/61/79/79/377617979.db2.gz OFXQPXBFHRESSO-UHFFFAOYSA-N 0 3 286.379 2.473 20 30 CEEDHN CC(C)N1CC[C@H](Nc2c(C#N)nnc3ccccc32)C1 ZINC000265826435 190210677 /nfs/dbraw/zinc/21/06/77/190210677.db2.gz JJMRRUMEPDRVJF-LBPRGKRZSA-N 0 3 281.363 2.396 20 30 CEEDHN N#Cc1ccc(CN[C@H](CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000565601999 377680451 /nfs/dbraw/zinc/68/04/51/377680451.db2.gz BKXRKSZQBAVXDY-CQSZACIVSA-N 0 3 289.335 2.107 20 30 CEEDHN CC(C#N)C(=O)N(CCc1ccccn1)Cc1cccnc1 ZINC000436033788 377818547 /nfs/dbraw/zinc/81/85/47/377818547.db2.gz MLPIBQBBJCUVHL-CQSZACIVSA-N 0 3 294.358 2.208 20 30 CEEDHN C=CCCCN(C)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433446720 377791074 /nfs/dbraw/zinc/79/10/74/377791074.db2.gz IHTFWFPZCQFNMG-HNNXBMFYSA-N 0 3 297.443 2.095 20 30 CEEDHN CC[C@H](O)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000433379166 377792456 /nfs/dbraw/zinc/79/24/56/377792456.db2.gz XQRXWQZEORSJHF-CABCVRRESA-N 0 3 274.364 2.036 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cccc(OCCC)c1 ZINC000293996013 377862551 /nfs/dbraw/zinc/86/25/51/377862551.db2.gz OMGIWWWGMRIANS-UHFFFAOYSA-N 0 3 288.391 2.160 20 30 CEEDHN CSCCCN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000439470472 377927572 /nfs/dbraw/zinc/92/75/72/377927572.db2.gz OUMUUPNWSRITOO-ZDUSSCGKSA-N 0 3 297.468 2.402 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(C(F)(F)F)n[nH]1 ZINC000441371254 377940046 /nfs/dbraw/zinc/94/00/46/377940046.db2.gz SRLGGJNAGOAUCO-SKDRFNHKSA-N 0 3 289.301 2.499 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000438974791 377915002 /nfs/dbraw/zinc/91/50/02/377915002.db2.gz PJPOTULEYAHWKR-BIAAXOCRSA-N 0 3 258.321 2.215 20 30 CEEDHN COc1ccc(OCCN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442634678 377972884 /nfs/dbraw/zinc/97/28/84/377972884.db2.gz HIIDFNBKIYNXFV-QWHCGFSZSA-N 0 3 260.337 2.356 20 30 CEEDHN C#CCO[C@@H](C)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000295249748 378069655 /nfs/dbraw/zinc/06/96/55/378069655.db2.gz MNZOERRXWIXHDH-ZDUSSCGKSA-N 0 3 274.364 2.033 20 30 CEEDHN C=CCOc1ccccc1CNCC1(O)CC(OCC)C1 ZINC000444005408 378074440 /nfs/dbraw/zinc/07/44/40/378074440.db2.gz QLUZCYLEOHTINZ-UHFFFAOYSA-N 0 3 291.391 2.271 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cnc(C(F)(F)F)s1 ZINC000443992971 378074629 /nfs/dbraw/zinc/07/46/29/378074629.db2.gz YZUYPVWMZVLTEC-MRVPVSSYSA-N 0 3 280.315 2.436 20 30 CEEDHN CC(C)C(=O)NCCN(C)CCCCC(C)(C)C#N ZINC000444683271 378079009 /nfs/dbraw/zinc/07/90/09/378079009.db2.gz FGJPEEXGPIALDB-UHFFFAOYSA-N 0 3 267.417 2.410 20 30 CEEDHN CC(C)[C@@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000444753302 378080211 /nfs/dbraw/zinc/08/02/11/378080211.db2.gz NIYLAJRZUAEKEX-OAHLLOKOSA-N 0 3 290.411 2.010 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CCCN(c2ccccc2)C1 ZINC000447730506 378132687 /nfs/dbraw/zinc/13/26/87/378132687.db2.gz KSALNVOLEBNGQT-UONOGXRCSA-N 0 3 271.364 2.179 20 30 CEEDHN CCCNC(=O)CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346224471 217844086 /nfs/dbraw/zinc/84/40/86/217844086.db2.gz XBBWQXQJKINFDN-NSHDSACASA-N 0 3 277.343 2.264 20 30 CEEDHN C[C@H](CNC(=O)[C@@]1(C#N)C[C@@H]1C)N(C)Cc1ccccc1 ZINC000448954023 378195032 /nfs/dbraw/zinc/19/50/32/378195032.db2.gz IWMJVEHKNAIWJZ-JJRVBVJISA-N 0 3 285.391 2.173 20 30 CEEDHN C[C@H](CNC(=O)[C@]1(C#N)C[C@@H]1C)N(C)Cc1ccccc1 ZINC000448954024 378195054 /nfs/dbraw/zinc/19/50/54/378195054.db2.gz IWMJVEHKNAIWJZ-VBQJREDUSA-N 0 3 285.391 2.173 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccnn1C1CCCC1 ZINC000449520134 378215328 /nfs/dbraw/zinc/21/53/28/378215328.db2.gz OIBFUNAUHUPBGI-CABCVRRESA-N 0 3 261.369 2.431 20 30 CEEDHN C=CCSCCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447979983 378167167 /nfs/dbraw/zinc/16/71/67/378167167.db2.gz BWEPHQZUDGGOOX-CYBMUJFWSA-N 0 3 299.484 2.325 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000450579436 378484715 /nfs/dbraw/zinc/48/47/15/378484715.db2.gz MGFHHTJLLSYACI-OLZOCXBDSA-N 0 3 282.453 2.237 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000450705486 378539040 /nfs/dbraw/zinc/53/90/40/378539040.db2.gz XJQWWVHLDGEVRX-INIZCTEOSA-N 0 3 275.396 2.013 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000278407891 193969567 /nfs/dbraw/zinc/96/95/67/193969567.db2.gz HBRASOSAAKGYBU-YQQAZPJKSA-N 0 3 284.403 2.311 20 30 CEEDHN C[C@@H]1CCCN(CCNc2ncc(C#N)cc2[N+](=O)[O-])C1 ZINC000296664175 378609806 /nfs/dbraw/zinc/60/98/06/378609806.db2.gz YRUXNQALCWPHKF-LLVKDONJSA-N 0 3 289.339 2.005 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(C)c(C)n2)CC1 ZINC000298012318 378691483 /nfs/dbraw/zinc/69/14/83/378691483.db2.gz BGURRHMREJUDGY-UHFFFAOYSA-N 0 3 273.380 2.079 20 30 CEEDHN N#Cc1ccc(N2CCN(C3CCCCC3)CC2)nc1 ZINC000299013728 378876657 /nfs/dbraw/zinc/87/66/57/378876657.db2.gz GSKQGKSIUVJZPR-UHFFFAOYSA-N 0 3 270.380 2.408 20 30 CEEDHN CC(=O)CCN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000299618589 379073177 /nfs/dbraw/zinc/07/31/77/379073177.db2.gz JACPZMOHMMOJSR-UHFFFAOYSA-N 0 3 299.374 2.188 20 30 CEEDHN C[C@H](N[C@H]1CSC[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000507230783 379100569 /nfs/dbraw/zinc/10/05/69/379100569.db2.gz OZYOWFZHSDQOQC-SUNKGSAMSA-N 0 3 289.404 2.226 20 30 CEEDHN CCC[C@@H](C#N)NC(=O)CCN1CCc2ccccc2C1 ZINC000514847926 379155125 /nfs/dbraw/zinc/15/51/25/379155125.db2.gz FSXBBUBYLVAWKQ-INIZCTEOSA-N 0 3 285.391 2.243 20 30 CEEDHN Cc1ccc2oc(CNC(=O)[C@H](N)CCCC#N)cc2c1 ZINC000515672906 379236198 /nfs/dbraw/zinc/23/61/98/379236198.db2.gz MKBMPSKFTXNKBJ-CQSZACIVSA-N 0 3 285.347 2.379 20 30 CEEDHN C[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC[C@@H]1C ZINC000347577457 218280058 /nfs/dbraw/zinc/28/00/58/218280058.db2.gz GGXODOOFEQJUJX-KBPBESRZSA-N 0 3 285.391 2.152 20 30 CEEDHN N#Cc1ccc(N2CCN3CCC2CC3)cc1Cl ZINC000302782685 379449104 /nfs/dbraw/zinc/44/91/04/379449104.db2.gz SRLXEAOVQUSURH-UHFFFAOYSA-N 0 3 261.756 2.496 20 30 CEEDHN CN(C)CCN(C(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000187415808 183659308 /nfs/dbraw/zinc/65/93/08/183659308.db2.gz RAXJCSVZYGUIKC-UHFFFAOYSA-N 0 3 272.352 2.116 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457101037 379668724 /nfs/dbraw/zinc/66/87/24/379668724.db2.gz XPOURZAGIMEFRD-GDBMZVCRSA-N 0 3 282.428 2.156 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)cc2OC)[C@@H](C)C1 ZINC000347708874 218330021 /nfs/dbraw/zinc/33/00/21/218330021.db2.gz SLSIWIWOGRVRHD-OKILXGFUSA-N 0 3 287.407 2.481 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457101038 379669080 /nfs/dbraw/zinc/66/90/80/379669080.db2.gz XPOURZAGIMEFRD-GOEBONIOSA-N 0 3 282.428 2.156 20 30 CEEDHN C=CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000267312293 190320485 /nfs/dbraw/zinc/32/04/85/190320485.db2.gz IJJOHMKYKIXLTD-GDBMZVCRSA-N 0 3 287.407 2.382 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000469376272 380069374 /nfs/dbraw/zinc/06/93/74/380069374.db2.gz BBHKPFLFJKCWFY-KLHDSHLOSA-N 0 3 294.439 2.347 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)C(C#N)(CC)CC ZINC000529382828 380173601 /nfs/dbraw/zinc/17/36/01/380173601.db2.gz ZOQMNAHLGCBKDY-ZDUSSCGKSA-N 0 3 265.401 2.307 20 30 CEEDHN C[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)N1CCCC1 ZINC000538596261 380246259 /nfs/dbraw/zinc/24/62/59/380246259.db2.gz JMLDCVAYIWOGJJ-CQSZACIVSA-N 0 3 297.402 2.456 20 30 CEEDHN C=CCC(CC=C)C(=O)NC[C@H]1CCCN(C)C1 ZINC000532325584 380212949 /nfs/dbraw/zinc/21/29/49/380212949.db2.gz GEMYKXNSNQJJQK-CYBMUJFWSA-N 0 3 250.386 2.213 20 30 CEEDHN C#C[C@@H](NC(=O)CN(C)CCC)c1ccc(Cl)cc1 ZINC000491350668 380309550 /nfs/dbraw/zinc/30/95/50/380309550.db2.gz PDETWTQMPRPJGD-CQSZACIVSA-N 0 3 278.783 2.472 20 30 CEEDHN C#C[C@H](C)N(C)C[C@@H](O)COc1cc(C)ccc1Cl ZINC000491375226 380312846 /nfs/dbraw/zinc/31/28/46/380312846.db2.gz VHIYKVOYUUYFOY-QWHCGFSZSA-N 0 3 281.783 2.342 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@H]2CCCCC2(F)F)CC1 ZINC000491693304 380344498 /nfs/dbraw/zinc/34/44/98/380344498.db2.gz IYEUWPQFVQVJMS-CQSZACIVSA-N 0 3 298.377 2.273 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@](C)(F)C2)CC1 ZINC000334504797 380501027 /nfs/dbraw/zinc/50/10/27/380501027.db2.gz JISFZBLQIWLGFZ-OAHLLOKOSA-N 0 3 283.391 2.170 20 30 CEEDHN Cc1cccc(CCNCc2cnc3c(C#N)cnn3c2)c1 ZINC000551208863 380638682 /nfs/dbraw/zinc/63/86/82/380638682.db2.gz XVZXCYRSFIVUDY-UHFFFAOYSA-N 0 3 291.358 2.242 20 30 CEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000492819762 380700314 /nfs/dbraw/zinc/70/03/14/380700314.db2.gz QKBQNYGUQCADEJ-NWDGAFQWSA-N 0 3 295.383 2.052 20 30 CEEDHN CN(Cc1cccc(C#N)c1)C(=O)CN1CCC(C)(C)C1 ZINC000553266307 380731789 /nfs/dbraw/zinc/73/17/89/380731789.db2.gz YHGHJSXEMICSLO-UHFFFAOYSA-N 0 3 285.391 2.249 20 30 CEEDHN N#CCC1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000555240282 380817785 /nfs/dbraw/zinc/81/77/85/380817785.db2.gz JUAYVDOYAWQIAK-UHFFFAOYSA-N 0 3 275.396 2.013 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000334770604 207046335 /nfs/dbraw/zinc/04/63/35/207046335.db2.gz ISABHXYWLHRDCH-GFCCVEGCSA-N 0 3 275.352 2.014 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)NCCN(CC)C1CC1 ZINC000494910202 381163677 /nfs/dbraw/zinc/16/36/77/381163677.db2.gz NJDFKRSFMOBEOA-CYBMUJFWSA-N 0 3 265.401 2.221 20 30 CEEDHN CN(CCN(C)[C@@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000495730614 381183059 /nfs/dbraw/zinc/18/30/59/381183059.db2.gz QZLAVHFNQPLBLX-CHWSQXEVSA-N 0 3 281.400 2.477 20 30 CEEDHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000495733180 381183409 /nfs/dbraw/zinc/18/34/09/381183409.db2.gz ZJVXNCHTQBMPIR-UPJWGTAASA-N 0 3 279.384 2.278 20 30 CEEDHN C=C(CN(C)C)C(=O)Nc1ccc(NC(=O)OCC)cc1 ZINC000495958738 381192645 /nfs/dbraw/zinc/19/26/45/381192645.db2.gz FMBSLJQARJCQTA-UHFFFAOYSA-N 0 3 291.351 2.311 20 30 CEEDHN C[C@@H](CCC#N)N(C)CCN(C)C(=O)OC(C)(C)C ZINC000496280435 381206713 /nfs/dbraw/zinc/20/67/13/381206713.db2.gz CGKNOYBFAZYLAG-LBPRGKRZSA-N 0 3 269.389 2.477 20 30 CEEDHN C#CCCN1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000496486140 381215573 /nfs/dbraw/zinc/21/55/73/381215573.db2.gz LYJWFOYOBYFKPC-HNNXBMFYSA-N 0 3 266.385 2.246 20 30 CEEDHN C#CCCCN1CCCC[C@H]1COC(=O)N(C)CC ZINC000496796255 381228084 /nfs/dbraw/zinc/22/80/84/381228084.db2.gz OJGSZASYDMIVCC-AWEZNQCLSA-N 0 3 266.385 2.343 20 30 CEEDHN C[C@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C)CN1 ZINC000334835556 207159360 /nfs/dbraw/zinc/15/93/60/207159360.db2.gz LXSUQVNKEPUVDK-UWVGGRQHSA-N 0 3 292.770 2.426 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000335931154 533110079 /nfs/dbraw/zinc/11/00/79/533110079.db2.gz KODAYVVZRHMBML-QWHCGFSZSA-N 0 3 282.347 2.187 20 30 CEEDHN O[C@]1(C2CC2)CCN(CC#Cc2ccc(F)cc2)C1 ZINC000366917916 285375366 /nfs/dbraw/zinc/37/53/66/285375366.db2.gz RPJBLBVSLVNQGS-MRXNPFEDSA-N 0 3 259.324 2.024 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](C)CC1 ZINC000335004094 533238983 /nfs/dbraw/zinc/23/89/83/533238983.db2.gz SFPNFORGORWHNN-OLZOCXBDSA-N 0 3 263.385 2.059 20 30 CEEDHN CO[C@](C)([C@H](C)NCc1cnc2ccc(C#N)cn12)C1CC1 ZINC000414504386 533355611 /nfs/dbraw/zinc/35/56/11/533355611.db2.gz SJZUGXOBCQGMON-YVEFUNNKSA-N 0 3 298.390 2.499 20 30 CEEDHN COc1cccc(NC2CCN(C(=O)C(C)C#N)CC2)c1 ZINC000347090276 533616343 /nfs/dbraw/zinc/61/63/43/533616343.db2.gz RAUMTANGAIUPSA-LBPRGKRZSA-N 0 3 287.363 2.258 20 30 CEEDHN C[C@@H](NCCOCC(F)F)c1cccc(C#N)c1 ZINC000189843236 130029950 /nfs/dbraw/zinc/02/99/50/130029950.db2.gz VLTHQYPBPLRNPB-SNVBAGLBSA-N 0 3 254.280 2.491 20 30 CEEDHN Cc1cc([C@@](C)(O)CNCc2cc(C#N)n(C)c2)c(C)o1 ZINC000191185572 130198540 /nfs/dbraw/zinc/19/85/40/130198540.db2.gz UXNKAHALKJZFEM-INIZCTEOSA-N 0 3 287.363 2.104 20 30 CEEDHN C[C@H]1CC(O)C[C@H](C)N1CCOc1ccc(C#N)cc1 ZINC000191284316 130216432 /nfs/dbraw/zinc/21/64/32/130216432.db2.gz LAVQMGFJKVPNIG-STQMWFEESA-N 0 3 274.364 2.171 20 30 CEEDHN CCn1cc(C2CCN(Cc3cc(C#N)n(C)c3)CC2)cn1 ZINC000191303407 130218773 /nfs/dbraw/zinc/21/87/73/130218773.db2.gz UYJGYZSJSYBXHO-UHFFFAOYSA-N 0 3 297.406 2.493 20 30 CEEDHN C[C@H](C[C@H](O)c1ccccc1)NCc1cc(C#N)n(C)c1 ZINC000191513613 130247197 /nfs/dbraw/zinc/24/71/97/130247197.db2.gz LMBQOVZUXXLUFN-DYVFJYSZSA-N 0 3 283.375 2.499 20 30 CEEDHN C=C(CNCc1cnc(N(C)C)nc1)c1ccccc1 ZINC000263851246 131346111 /nfs/dbraw/zinc/34/61/11/131346111.db2.gz ORCKGEHRMQAPMT-UHFFFAOYSA-N 0 3 268.364 2.346 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)CCOCC)C(C)C ZINC000264002342 131377033 /nfs/dbraw/zinc/37/70/33/131377033.db2.gz GGNWLVPLADJRMW-OAHLLOKOSA-N 0 3 282.428 2.228 20 30 CEEDHN C[C@H](C(=O)N(C)C1(C#N)CCC1)N1[C@H](C)CC[C@H]1C ZINC000413251257 394512838 /nfs/dbraw/zinc/51/28/38/394512838.db2.gz WNKCJFFSBLTFTB-JHJVBQTASA-N 0 3 263.385 2.152 20 30 CEEDHN CC(C#N)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000355589023 394469198 /nfs/dbraw/zinc/46/91/98/394469198.db2.gz WSAALEPAQFGWBM-ZETCQYMHSA-N 0 3 288.134 2.043 20 30 CEEDHN CC(C#N)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000230401373 394478783 /nfs/dbraw/zinc/47/87/83/394478783.db2.gz OVQUSJVYMIEPOT-SSDOTTSWSA-N 0 3 263.240 2.391 20 30 CEEDHN CCN1CCCN(c2cc(C)c([N+](=O)[O-])cc2C#N)CC1 ZINC000413133954 394489505 /nfs/dbraw/zinc/48/95/05/394489505.db2.gz KKVRGDWUPFVHJG-UHFFFAOYSA-N 0 3 288.351 2.307 20 30 CEEDHN C[C@@H](CN1CCCC1=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037782178 394497936 /nfs/dbraw/zinc/49/79/36/394497936.db2.gz CGWSPDZPJZFRBO-STQMWFEESA-N 0 3 271.364 2.220 20 30 CEEDHN COc1cc(C#N)ccc1CN(CCCCO)C1CC1 ZINC000305717011 394509694 /nfs/dbraw/zinc/50/96/94/394509694.db2.gz HURJBEYZCBGHFN-UHFFFAOYSA-N 0 3 274.364 2.304 20 30 CEEDHN C[C@@H]1CCC[C@]1(O)CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000329329317 394561693 /nfs/dbraw/zinc/56/16/93/394561693.db2.gz YJLDPRKICFNQIC-INWMFGNUSA-N 0 3 280.412 2.368 20 30 CEEDHN C[C@@H](C(=O)N(C)C[C@@H]1CCCN1C)c1cccc(C#N)c1 ZINC000421710780 394573181 /nfs/dbraw/zinc/57/31/81/394573181.db2.gz MIBWPUYENFYJAS-CJNGLKHVSA-N 0 3 285.391 2.214 20 30 CEEDHN N#CCCCN1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000266018703 394658062 /nfs/dbraw/zinc/65/80/62/394658062.db2.gz VWDRPUIXMFMEKG-UHFFFAOYSA-N 0 3 287.363 2.346 20 30 CEEDHN C[C@H](C(=O)NC[C@@](C)(O)C1CC1)N1CCCCCC1 ZINC000329939427 394596213 /nfs/dbraw/zinc/59/62/13/394596213.db2.gz FRODWLLCCLWJHS-IUODEOHRSA-N 0 3 268.401 2.368 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN([C@@H](C)C1CC1)C1CC1 ZINC000079961282 394633714 /nfs/dbraw/zinc/63/37/14/394633714.db2.gz DHYZBCFYQDRJDG-STQMWFEESA-N 0 3 277.412 2.257 20 30 CEEDHN C[C@@H](NC(=O)[C@]1(C#N)CC12CCCC2)C1=CCN(C)CC1 ZINC000333683317 394650686 /nfs/dbraw/zinc/65/06/86/394650686.db2.gz LOYFTQQDFSKHLR-CXAGYDPISA-N 0 3 287.407 2.227 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@H]1Cc1ccccc1C ZINC000358963710 394734552 /nfs/dbraw/zinc/73/45/52/394734552.db2.gz GGGPBGBAHYGTSD-INIZCTEOSA-N 0 3 272.392 2.304 20 30 CEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(CC#N)cc2)C1 ZINC000270540544 394735986 /nfs/dbraw/zinc/73/59/86/394735986.db2.gz PTIZPIWNLHXVTI-IAGOWNOFSA-N 0 3 297.402 2.309 20 30 CEEDHN COc1ccc(OC)c(CN(CCO)CCCCC#N)c1 ZINC000111271719 394737859 /nfs/dbraw/zinc/73/78/59/394737859.db2.gz XKBJKMHRWHGQOQ-UHFFFAOYSA-N 0 3 292.379 2.192 20 30 CEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000335155644 394743912 /nfs/dbraw/zinc/74/39/12/394743912.db2.gz MTKQMGXCESLKFJ-CJNGLKHVSA-N 0 3 275.396 2.013 20 30 CEEDHN C[C@@H]1[C@H](C)N(CCCOc2cccc(C#N)c2)CCN1C ZINC000356997685 394675855 /nfs/dbraw/zinc/67/58/55/394675855.db2.gz IVVMIECTNYUAAO-CABCVRRESA-N 0 3 287.407 2.352 20 30 CEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C1(C#N)CCCC1 ZINC000334333658 394676307 /nfs/dbraw/zinc/67/63/07/394676307.db2.gz VDDQNBUAWACDNV-KGLIPLIRSA-N 0 3 275.396 2.156 20 30 CEEDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(CC#N)cc1 ZINC000334414267 394683329 /nfs/dbraw/zinc/68/33/29/394683329.db2.gz MYVKCENWXKDTEE-UONOGXRCSA-N 0 3 257.381 2.277 20 30 CEEDHN COC(=O)C[C@@H]1CCCN1Cc1ccc(OCC#N)cc1 ZINC000269665742 394720790 /nfs/dbraw/zinc/72/07/90/394720790.db2.gz PUKPODRVWUURNV-AWEZNQCLSA-N 0 3 288.347 2.116 20 30 CEEDHN COC[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)OC ZINC000358438240 394722586 /nfs/dbraw/zinc/72/25/86/394722586.db2.gz VSTJZFCSWJUSND-JQWIXIFHSA-N 0 3 266.316 2.009 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000359533101 394760496 /nfs/dbraw/zinc/76/04/96/394760496.db2.gz WQGJRJYIVVMBRZ-SCDSUCTJSA-N 0 3 292.766 2.034 20 30 CEEDHN CN(C)Cc1ccc(CNC(=O)CCCC#N)cc1 ZINC000359834608 394777176 /nfs/dbraw/zinc/77/71/76/394777176.db2.gz AUIZEENUSWCZBS-UHFFFAOYSA-N 0 3 259.353 2.058 20 30 CEEDHN C=CCN(CC=C)[C@H](CNc1ccnc(C)n1)C(C)C ZINC000360226623 394794244 /nfs/dbraw/zinc/79/42/44/394794244.db2.gz XLHBAJSQIBCUDA-OAHLLOKOSA-N 0 3 274.412 2.317 20 30 CEEDHN CC(C)(C#N)CCCN1CCCN(C(=O)C2CC2)CC1 ZINC000121613238 394801509 /nfs/dbraw/zinc/80/15/09/394801509.db2.gz ZLEYWIFTGUUXTK-UHFFFAOYSA-N 0 3 277.412 2.261 20 30 CEEDHN CC(C#N)C(=O)N1CCC(OC2CCCC2)CC1 ZINC000335833172 394802613 /nfs/dbraw/zinc/80/26/13/394802613.db2.gz DIWBJQZLQFHKCR-LLVKDONJSA-N 0 3 250.342 2.096 20 30 CEEDHN CCC[C@@H]1CN(CCCSCC#N)CCN1CCOC ZINC000121761659 394804389 /nfs/dbraw/zinc/80/43/89/394804389.db2.gz GBOOBAFZNNHTHB-OAHLLOKOSA-N 0 3 299.484 2.066 20 30 CEEDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc(C#N)cc1 ZINC000278735594 394833643 /nfs/dbraw/zinc/83/36/43/394833643.db2.gz IJRZRVNINUNEIP-CQSZACIVSA-N 0 3 285.391 2.248 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CC(F)(F)F)CC1 ZINC000361942368 394838354 /nfs/dbraw/zinc/83/83/54/394838354.db2.gz ZEFOEXYBTYNPGZ-JTQLQIEISA-N 0 3 293.333 2.277 20 30 CEEDHN COC[C@@H](NCc1cc(C#N)ccc1OC)C(C)C ZINC000130341661 394886469 /nfs/dbraw/zinc/88/64/69/394886469.db2.gz LHZKDHYIDXDZGK-CQSZACIVSA-N 0 3 262.353 2.327 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)N[C@H]1CCN(C(C)C)C1=O ZINC000285213150 394954708 /nfs/dbraw/zinc/95/47/08/394954708.db2.gz UJDQYLFRPSUXDN-SJORKVTESA-N 0 3 284.403 2.220 20 30 CEEDHN C=C(CC)CN1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000338376281 394917659 /nfs/dbraw/zinc/91/76/59/394917659.db2.gz LJAKPTSBBMNMEW-LBPRGKRZSA-N 0 3 264.373 2.281 20 30 CEEDHN C#CCCCN1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000282796491 394924688 /nfs/dbraw/zinc/92/46/88/394924688.db2.gz OBYISMWLNNMFJK-UHFFFAOYSA-N 0 3 276.355 2.370 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2nc(CC)cs2)CC1 ZINC000283050240 394927320 /nfs/dbraw/zinc/92/73/20/394927320.db2.gz BSPFITAGBVFAHS-UHFFFAOYSA-N 0 3 293.436 2.015 20 30 CEEDHN C#CCN(CC)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283306836 394932641 /nfs/dbraw/zinc/93/26/41/394932641.db2.gz YUJPCKOTXWGKHB-OAHLLOKOSA-N 0 3 270.376 2.104 20 30 CEEDHN CCN(CC)C(=O)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000338941642 394933060 /nfs/dbraw/zinc/93/30/60/394933060.db2.gz KJYSDDNYAOXVMU-ZFWWWQNUSA-N 0 3 277.412 2.259 20 30 CEEDHN C=CCOCCN1CCC(C(=O)N(C)CCCC)CC1 ZINC000338929993 394933429 /nfs/dbraw/zinc/93/34/29/394933429.db2.gz SHJQCHUUEKNBSS-UHFFFAOYSA-N 0 3 282.428 2.160 20 30 CEEDHN CC#CCCN1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000283934356 394939479 /nfs/dbraw/zinc/93/94/79/394939479.db2.gz BAODJOLAQBBOBV-QGZVFWFLSA-N 0 3 256.393 2.259 20 30 CEEDHN C=CCOCCN1CC[C@@H](n2ncc3ccccc32)C1 ZINC000339081091 394941036 /nfs/dbraw/zinc/94/10/36/394941036.db2.gz JBXUHJXIZGAIRU-OAHLLOKOSA-N 0 3 271.364 2.486 20 30 CEEDHN CC1(C)CN([C@@H]2CC[C@H](C#N)C2)C[C@]2(CCCOC2)O1 ZINC000339150320 394946479 /nfs/dbraw/zinc/94/64/79/394946479.db2.gz VIJLPTJBBPDJMF-LZWOXQAQSA-N 0 3 278.396 2.339 20 30 CEEDHN CC(C)[C@H](C)NC(=O)C1CCN(CCCC#N)CC1 ZINC000153826664 395019671 /nfs/dbraw/zinc/01/96/71/395019671.db2.gz AJWKHCKCOWSZDE-ZDUSSCGKSA-N 0 3 265.401 2.163 20 30 CEEDHN CN(C)Cc1cccc(CNC(=O)C2(C#N)CCC2)c1 ZINC000134554793 394958018 /nfs/dbraw/zinc/95/80/18/394958018.db2.gz HECNQTAPZFCDQS-UHFFFAOYSA-N 0 3 271.364 2.058 20 30 CEEDHN C=CCOc1ccc(CNC(=O)C2CCN(C)CC2)cc1 ZINC000285836056 394971348 /nfs/dbraw/zinc/97/13/48/394971348.db2.gz GTBAWGGFPGULPS-UHFFFAOYSA-N 0 3 288.391 2.209 20 30 CEEDHN C=CCC1(C(=O)NC2CCN([C@H]3CCOC3)CC2)CCC1 ZINC000372802064 395047476 /nfs/dbraw/zinc/04/74/76/395047476.db2.gz XDYMVQGSFZWKRP-HNNXBMFYSA-N 0 3 292.423 2.102 20 30 CEEDHN COc1ccc([C@@H](C)CCNC(=O)C(C)C#N)cc1 ZINC000346442215 395099865 /nfs/dbraw/zinc/09/98/65/395099865.db2.gz ZWRMNEJGJXHURY-NWDGAFQWSA-N 0 3 260.337 2.465 20 30 CEEDHN C[C@H](CNc1c(C#N)cccc1[N+](=O)[O-])N(C)C1CC1 ZINC000425233411 395053309 /nfs/dbraw/zinc/05/33/09/395053309.db2.gz XDBNYRYOOALSDP-SNVBAGLBSA-N 0 3 274.324 2.361 20 30 CEEDHN CC#CCCN1C[C@@H]2CCN(C(=O)CC(C)(C)C)[C@@H]2C1 ZINC000375834067 395100163 /nfs/dbraw/zinc/10/01/63/395100163.db2.gz WFVRUNXAKUUZIJ-LSDHHAIUSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCN1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1 ZINC000373127953 395055101 /nfs/dbraw/zinc/05/51/01/395055101.db2.gz UAYBAWMHVYMPJY-UHFFFAOYSA-N 0 3 281.359 2.079 20 30 CEEDHN CC(C#N)C(=O)NCC1(c2ccncc2)CCCC1 ZINC000345562821 395070044 /nfs/dbraw/zinc/07/00/44/395070044.db2.gz XDCRSBLOGBXRJZ-GFCCVEGCSA-N 0 3 257.337 2.169 20 30 CEEDHN C=CCOCCCC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000345567720 395070216 /nfs/dbraw/zinc/07/02/16/395070216.db2.gz KVBDLGJCKBVVAH-AWEZNQCLSA-N 0 3 282.428 2.158 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@]1(C)CCO[C@H]1C ZINC000494236369 395101712 /nfs/dbraw/zinc/10/17/12/395101712.db2.gz CSZSBYAKAQSIEC-NHYWBVRUSA-N 0 3 260.337 2.224 20 30 CEEDHN C#CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000374168373 395075705 /nfs/dbraw/zinc/07/57/05/395075705.db2.gz VYMXPBIFGNWOQD-OCCSQVGLSA-N 0 3 291.420 2.063 20 30 CEEDHN C=CC[C@H](CC)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000374187988 395076157 /nfs/dbraw/zinc/07/61/57/395076157.db2.gz MYVJVMFHGMVYHA-HNNXBMFYSA-N 0 3 294.439 2.492 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)[C@H](C)C#N)N2CCCC2)cc1 ZINC000345773634 395076465 /nfs/dbraw/zinc/07/64/65/395076465.db2.gz YTDPEFPRNMAZLC-ZBFHGGJFSA-N 0 3 285.391 2.408 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000345804531 395078308 /nfs/dbraw/zinc/07/83/08/395078308.db2.gz AXVUUEAOYUFKDK-FZKCQIBNSA-N 0 3 294.439 2.204 20 30 CEEDHN C=CCOc1ccccc1CN[C@H]1CCC[C@H]1C(=O)NC ZINC000345826847 395079148 /nfs/dbraw/zinc/07/91/48/395079148.db2.gz QNQAWIZAPFKFNE-CABCVRRESA-N 0 3 288.391 2.256 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2cncc(F)c2)nc(C)n1 ZINC000346172125 395089710 /nfs/dbraw/zinc/08/97/10/395089710.db2.gz DPDNEYBTDZZBGJ-GFCCVEGCSA-N 0 3 270.267 2.118 20 30 CEEDHN Cc1cc(C)c(C#N)c(N2CC[C@@H]3CCN(C)[C@H]3C2)n1 ZINC000375050603 395089837 /nfs/dbraw/zinc/08/98/37/395089837.db2.gz SCCSXZVUUFMJMO-ZFWWWQNUSA-N 0 3 270.380 2.101 20 30 CEEDHN CN1CC[C@H]2CCN(c3ccc(C#N)cc3F)C[C@@H]21 ZINC000375051518 395089926 /nfs/dbraw/zinc/08/99/26/395089926.db2.gz WGTBOLCVEWRACG-WFASDCNBSA-N 0 3 259.328 2.228 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccc(CC#N)c2)CC1 ZINC000171718281 395097370 /nfs/dbraw/zinc/09/73/70/395097370.db2.gz HIWYKNANUJWMRM-UHFFFAOYSA-N 0 3 283.375 2.133 20 30 CEEDHN C=CC[C@H](C(=O)N[C@@H](C)CN(C)C)c1ccccc1 ZINC000287256545 395036412 /nfs/dbraw/zinc/03/64/12/395036412.db2.gz RHANDAHVFQPFKE-ZFWWWQNUSA-N 0 3 260.381 2.413 20 30 CEEDHN Cc1cc(C)c(C#N)c(N[C@H]2CCCN(C)[C@H]2C)n1 ZINC000343493176 395040240 /nfs/dbraw/zinc/04/02/40/395040240.db2.gz BJGBSFIYOQTNTE-JSGCOSHPSA-N 0 3 258.369 2.465 20 30 CEEDHN C=CCOCCNCc1nc2c(s1)CN(C(C)C)CC2 ZINC000372349634 395040779 /nfs/dbraw/zinc/04/07/79/395040779.db2.gz PMTJVXZJXJSNMC-UHFFFAOYSA-N 0 3 295.452 2.202 20 30 CEEDHN C#Cc1ccc(CN[C@H](CC)[C@H](O)C(F)(F)F)cc1 ZINC000290322161 395099228 /nfs/dbraw/zinc/09/92/28/395099228.db2.gz JRFNVUGGQTZFFF-OLZOCXBDSA-N 0 3 271.282 2.459 20 30 CEEDHN C=CCC[C@H](NC[C@@]1(O)CCO[C@H]1C)c1ccco1 ZINC000287502734 395043020 /nfs/dbraw/zinc/04/30/20/395043020.db2.gz NTMJETTWHONSKT-YDHLFZDLSA-N 0 3 265.353 2.416 20 30 CEEDHN C#CCC(CC#C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000287589066 395044063 /nfs/dbraw/zinc/04/40/63/395044063.db2.gz HBTJOJNUVWXBQA-MSOLQXFVSA-N 0 3 294.398 2.211 20 30 CEEDHN C=CCC[C@H](O)CN1CCCN(c2ncccc2F)CC1 ZINC000372612750 395044553 /nfs/dbraw/zinc/04/45/53/395044553.db2.gz VXEVQWNMYCVHMT-AWEZNQCLSA-N 0 3 293.386 2.060 20 30 CEEDHN C#CCSCCNc1ccncc1-c1cccnc1 ZINC000376210257 395113335 /nfs/dbraw/zinc/11/33/35/395113335.db2.gz YUNMKGDMMBQCJB-UHFFFAOYSA-N 0 3 269.373 2.344 20 30 CEEDHN C#Cc1ccc(CNC[C@@H](O)c2ccc(C)o2)cc1 ZINC000290494078 395105588 /nfs/dbraw/zinc/10/55/88/395105588.db2.gz WDBGTZJNTASZGE-OAHLLOKOSA-N 0 3 255.317 2.393 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ccn3ccnc3c2)CC1 ZINC000290594199 395109283 /nfs/dbraw/zinc/10/92/83/395109283.db2.gz GRMVILQTKABDSN-UHFFFAOYSA-N 0 3 299.378 2.106 20 30 CEEDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cccc(F)c1C#N ZINC000428299417 395144604 /nfs/dbraw/zinc/14/46/04/395144604.db2.gz FGUNQETWVQWZPZ-NWDGAFQWSA-N 0 3 261.344 2.222 20 30 CEEDHN COc1cc(CN(C)CCCSCC#N)ccc1O ZINC000177054431 395144642 /nfs/dbraw/zinc/14/46/42/395144642.db2.gz IGUVDRSMEOYXSX-UHFFFAOYSA-N 0 3 280.393 2.479 20 30 CEEDHN CC(C)N(CCOc1cccc(C#N)c1)[C@H]1CCOC1 ZINC000291680125 395151853 /nfs/dbraw/zinc/15/18/53/395151853.db2.gz GVVLQRWWTBKERR-HNNXBMFYSA-N 0 3 274.364 2.436 20 30 CEEDHN C[C@@H](CNC(=O)NCC1(CC#N)CC1)N1CCCC[C@H]1C ZINC000430166913 395162182 /nfs/dbraw/zinc/16/21/82/395162182.db2.gz RLQGJJMEBRBBLX-KGLIPLIRSA-N 0 3 292.427 2.242 20 30 CEEDHN CC(C)[C@H](NCc1nc(C#N)cs1)C1(CO)CCC1 ZINC000430111091 395162955 /nfs/dbraw/zinc/16/29/55/395162955.db2.gz NSALDCDZSVZFLO-ZDUSSCGKSA-N 0 3 279.409 2.292 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@H](c2noc(CC)n2)C1 ZINC000378158330 395152448 /nfs/dbraw/zinc/15/24/48/395152448.db2.gz CYJCNWJDOIVHSN-QWHCGFSZSA-N 0 3 279.384 2.139 20 30 CEEDHN COC(=O)c1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000348903914 395153924 /nfs/dbraw/zinc/15/39/24/395153924.db2.gz IQGSFRPXOBIUOP-SMDDNHRTSA-N 0 3 258.321 2.255 20 30 CEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CC#N)c1 ZINC000177786955 395156236 /nfs/dbraw/zinc/15/62/36/395156236.db2.gz PRIONICVRUENKE-SJORKVTESA-N 0 3 297.402 2.451 20 30 CEEDHN Cc1nc(N[C@@H]2C[C@H](C)N(C3CC3)C2)ccc1C#N ZINC000291959210 395181131 /nfs/dbraw/zinc/18/11/31/395181131.db2.gz OBEFWTCWWGKVJW-GXFFZTMASA-N 0 3 256.353 2.299 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@@H](C)[C@@H](O)C2)c1 ZINC000349359274 395166173 /nfs/dbraw/zinc/16/61/73/395166173.db2.gz ZKZMMFQRIWSKHT-CJNGLKHVSA-N 0 3 261.365 2.454 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2ncc3c(c2C#N)CCC3)CN1C1CC1 ZINC000515298675 395174478 /nfs/dbraw/zinc/17/44/78/395174478.db2.gz BMCBCXKEZVIUKA-DGCLKSJQSA-N 0 3 282.391 2.479 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000350039695 395178828 /nfs/dbraw/zinc/17/88/28/395178828.db2.gz YULVZKQISQELHC-UMVBOHGHSA-N 0 3 265.401 2.163 20 30 CEEDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(C#N)c1 ZINC000181977952 395229841 /nfs/dbraw/zinc/22/98/41/395229841.db2.gz FVNDFHFRDUPKPI-LLVKDONJSA-N 0 3 285.307 2.014 20 30 CEEDHN C[C@@H]1CCCN1C(=O)CCN(C)Cc1ccc(C#N)cc1 ZINC000438843745 395230116 /nfs/dbraw/zinc/23/01/16/395230116.db2.gz WJLORNFTUYOPFQ-CQSZACIVSA-N 0 3 285.391 2.391 20 30 CEEDHN C#CCOc1ccccc1CNC[C@]1(O)CCC[C@@H]1C ZINC000293191547 395223772 /nfs/dbraw/zinc/22/37/72/395223772.db2.gz XEYCUISINCZHFC-WMLDXEAASA-N 0 3 273.376 2.339 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H]1CN1CCOCC1 ZINC000186242139 395286954 /nfs/dbraw/zinc/28/69/54/395286954.db2.gz QKEGHKJDDTYHFZ-GOSISDBHSA-N 0 3 299.418 2.163 20 30 CEEDHN C[C@@H](CCC#N)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000411263994 395325566 /nfs/dbraw/zinc/32/55/66/395325566.db2.gz UOGOTPALPFBDAV-KBPBESRZSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@H](CN1CCCCCC1)NC(=O)C1(C#N)CCC1 ZINC000408315335 395297595 /nfs/dbraw/zinc/29/75/95/395297595.db2.gz ZXRWGQLLGGKOMB-CYBMUJFWSA-N 0 3 263.385 2.061 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000293864138 395254999 /nfs/dbraw/zinc/25/49/99/395254999.db2.gz BJBOTPUMQVAYCZ-ZIAGYGMSSA-N 0 3 290.432 2.231 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000293884982 395256284 /nfs/dbraw/zinc/25/62/84/395256284.db2.gz DADFKTXMXREMDZ-CQSZACIVSA-N 0 3 290.382 2.391 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1occc1C(C)C ZINC000293903381 395256673 /nfs/dbraw/zinc/25/66/73/395256673.db2.gz FJUZNELBLBNDFG-UHFFFAOYSA-N 0 3 262.353 2.088 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(OC)c(Cl)c1 ZINC000293925004 395257462 /nfs/dbraw/zinc/25/74/62/395257462.db2.gz HGTHWGDGPVUPIA-UHFFFAOYSA-N 0 3 294.782 2.034 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(CC#C)CCCCC1 ZINC000293954902 395260403 /nfs/dbraw/zinc/26/04/03/395260403.db2.gz KKTIWLCZDABFPI-UHFFFAOYSA-N 0 3 274.408 2.032 20 30 CEEDHN C#Cc1cccc(NC(=O)N(C)CCN(C)C2CC2)c1 ZINC000184031084 395268338 /nfs/dbraw/zinc/26/83/38/395268338.db2.gz KLOCUNWTOQAXIR-UHFFFAOYSA-N 0 3 271.364 2.226 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)c1cccc(F)c1C#N ZINC000189139490 395324136 /nfs/dbraw/zinc/32/41/36/395324136.db2.gz XKWREEQQNNHLKB-UHFFFAOYSA-N 0 3 289.354 2.111 20 30 CEEDHN COC[C@@](C)(CC(=O)OC)NCCC1(C#N)CCCCC1 ZINC000411384723 395328805 /nfs/dbraw/zinc/32/88/05/395328805.db2.gz FULXLROUZAEQBU-OAHLLOKOSA-N 0 3 296.411 2.408 20 30 CEEDHN C[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)N(C)C1CC1 ZINC000434999032 395342807 /nfs/dbraw/zinc/34/28/07/395342807.db2.gz FCRFIZTWZXHQKH-CYBMUJFWSA-N 0 3 297.402 2.189 20 30 CEEDHN C[C@H](CNC(=O)Cc1cccc(C#N)c1)N1CCCC[C@H]1C ZINC000530909677 395457954 /nfs/dbraw/zinc/45/79/54/395457954.db2.gz DFTYIJBVDNDDNR-HUUCEWRRSA-N 0 3 299.418 2.480 20 30 CEEDHN N#Cc1csc(CNC[C@H](O)COc2ccccc2)c1 ZINC000531355986 395458424 /nfs/dbraw/zinc/45/84/24/395458424.db2.gz CWKDNMBKHADRLT-ZDUSSCGKSA-N 0 3 288.372 2.149 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2ccco2)c(F)c1 ZINC000533446433 395461902 /nfs/dbraw/zinc/46/19/02/395461902.db2.gz ZHBCQPZILAVQPH-ZDUSSCGKSA-N 0 3 288.322 2.231 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCC#Cc1ccccc1 ZINC000355407515 395438264 /nfs/dbraw/zinc/43/82/64/395438264.db2.gz HFJBHZQBFLSDBF-HUUCEWRRSA-N 0 3 270.376 2.027 20 30 CEEDHN CCCCN(CC)Cc1cnc2c(C#N)cnn2c1 ZINC000566245057 395506931 /nfs/dbraw/zinc/50/69/31/395506931.db2.gz BDHZJICGCPDLGX-UHFFFAOYSA-N 0 3 257.341 2.223 20 30 CEEDHN CC[C@@H](C)[C@@H](CNCc1cnc2ccc(C#N)cn12)OC ZINC000449403641 395546438 /nfs/dbraw/zinc/54/64/38/395546438.db2.gz XGBPRBRAMZTWBU-IUODEOHRSA-N 0 3 286.379 2.357 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000448785050 395539249 /nfs/dbraw/zinc/53/92/49/395539249.db2.gz YGEALOPNNGYUJB-RYUDHWBXSA-N 0 3 288.395 2.045 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000448932413 395543733 /nfs/dbraw/zinc/54/37/33/395543733.db2.gz ISQOFFBQFIKYQP-RYUDHWBXSA-N 0 3 288.395 2.188 20 30 CEEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1 ZINC000449577456 395555409 /nfs/dbraw/zinc/55/54/09/395555409.db2.gz FAAREPHZVAGZKN-CABCVRRESA-N 0 3 272.348 2.380 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCC2(CCCC2)CC1 ZINC000568446775 395559987 /nfs/dbraw/zinc/55/99/87/395559987.db2.gz UDWNVHXOLFNRHA-CYBMUJFWSA-N 0 3 250.386 2.333 20 30 CEEDHN N#CC1(CCN2CC[C@@H](c3nnc[nH]3)C2)CCCCC1 ZINC000568874922 395570694 /nfs/dbraw/zinc/57/06/94/395570694.db2.gz MBXJQJGNYKJRRL-CYBMUJFWSA-N 0 3 273.384 2.458 20 30 CEEDHN COCCN(C)CC[C@@H](NCCC#N)c1ccccc1 ZINC000569332224 395577150 /nfs/dbraw/zinc/57/71/50/395577150.db2.gz HCIMNXRCWPNVTC-MRXNPFEDSA-N 0 3 275.396 2.199 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451664076 395623835 /nfs/dbraw/zinc/62/38/35/395623835.db2.gz NLZDXZVVKFLIMP-ZNMIVQPWSA-N 0 3 287.407 2.006 20 30 CEEDHN CC[C@@H]1CN(CC)CCN1CCOc1cccc(C#N)c1 ZINC000451733905 395624405 /nfs/dbraw/zinc/62/44/05/395624405.db2.gz VQIOJLIJASUSIV-MRXNPFEDSA-N 0 3 287.407 2.353 20 30 CEEDHN CC(C)(C)C1=CCN(CCNc2ccncc2C#N)CC1 ZINC000574738356 395636154 /nfs/dbraw/zinc/63/61/54/395636154.db2.gz OFNYEJLMHVRUMH-UHFFFAOYSA-N 0 3 284.407 2.465 20 30 CEEDHN CON1CCC(N(C)Cc2cc(C#N)ccc2F)CC1 ZINC000459591151 395666433 /nfs/dbraw/zinc/66/64/33/395666433.db2.gz SOYTVQKLQSRIAB-UHFFFAOYSA-N 0 3 277.343 2.155 20 30 CEEDHN CO[C@H]1C[C@@H](NCC(=O)Nc2ccc(C#N)cc2)C12CCC2 ZINC000459775547 395666759 /nfs/dbraw/zinc/66/67/59/395666759.db2.gz VBNQFGGUNVNVGY-CABCVRRESA-N 0 3 299.374 2.044 20 30 CEEDHN CC(C)[C@H]1CN(c2nc3c(cc2C#N)CCC3)CCN1C ZINC000487102397 395667077 /nfs/dbraw/zinc/66/70/77/395667077.db2.gz RWYMQSGBADUCBP-MRXNPFEDSA-N 0 3 284.407 2.218 20 30 CEEDHN Cc1cc(CN2CCC[C@H](C)[C@@H]2CO)ccc1C#N ZINC000488137204 395668070 /nfs/dbraw/zinc/66/80/70/395668070.db2.gz UCIHKZQSJBPGEI-LRDDRELGSA-N 0 3 258.365 2.460 20 30 CEEDHN Cc1cc(CN2C[C@H](C)N(C)C[C@@H]2C)ccc1C#N ZINC000488110398 395668078 /nfs/dbraw/zinc/66/80/78/395668078.db2.gz DNBVNXGSJNCZTN-KBPBESRZSA-N 0 3 257.381 2.391 20 30 CEEDHN Cc1cc(CN2CCC(CCC(N)=O)CC2)ccc1C#N ZINC000488144689 395668140 /nfs/dbraw/zinc/66/81/40/395668140.db2.gz VXWGGELCSXQQPK-UHFFFAOYSA-N 0 3 285.391 2.344 20 30 CEEDHN COCCN(Cc1ccc(C#N)c(C)c1)[C@@H]1CCO[C@@H]1C ZINC000489433640 395668555 /nfs/dbraw/zinc/66/85/55/395668555.db2.gz KLMBJAMQDGSVSA-RHSMWYFYSA-N 0 3 288.391 2.493 20 30 CEEDHN C=CCn1cccc1C(=O)NC[C@@H](CC(C)C)N(C)C ZINC000490024430 395668911 /nfs/dbraw/zinc/66/89/11/395668911.db2.gz DEVSSNZFNSOOED-CQSZACIVSA-N 0 3 277.412 2.380 20 30 CEEDHN C#CCN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000491438990 395669646 /nfs/dbraw/zinc/66/96/46/395669646.db2.gz HJSDVUFOPZKDKN-HOCLYGCPSA-N 0 3 287.407 2.261 20 30 CEEDHN C=CCOCCNCc1cnn(-c2ccc(OC)cc2)c1 ZINC000648510144 395922474 /nfs/dbraw/zinc/92/24/74/395922474.db2.gz ZSVGVYIKDUXGBC-UHFFFAOYSA-N 0 3 287.363 2.173 20 30 CEEDHN C=C(C)[C@H](CO)N(CC)Cc1ccc(OC)c(OC)c1 ZINC000649228554 396095792 /nfs/dbraw/zinc/09/57/92/396095792.db2.gz BTTMQFBGEBWDIB-AWEZNQCLSA-N 0 3 279.380 2.463 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(OCCC(C)C)CC1 ZINC000649248288 396101874 /nfs/dbraw/zinc/10/18/74/396101874.db2.gz AJWXIBOPGRGWQR-OAHLLOKOSA-N 0 3 255.402 2.451 20 30 CEEDHN C=CCOc1ccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1 ZINC000646921036 396390988 /nfs/dbraw/zinc/39/09/88/396390988.db2.gz YYDXSFCVYHHRSE-GOEBONIOSA-N 0 3 286.375 2.028 20 30 CEEDHN C=CCOc1ccccc1CNCCCc1ncn(C)n1 ZINC000647230666 396445530 /nfs/dbraw/zinc/44/55/30/396445530.db2.gz GCEUWJWMRZYHEG-UHFFFAOYSA-N 0 3 286.379 2.102 20 30 CEEDHN N#CCCN1CCN(CCCc2ccccc2)CC1 ZINC000049846770 400237276 /nfs/dbraw/zinc/23/72/76/400237276.db2.gz QUTPQXOAZOHMGU-UHFFFAOYSA-N 0 3 257.381 2.150 20 30 CEEDHN C=CCC[C@H](O)CN[C@@]1(CO)CCCc2ccccc21 ZINC000281659647 400319863 /nfs/dbraw/zinc/31/98/63/400319863.db2.gz KQVOBOZRMGSAGF-DOTOQJQBSA-N 0 3 275.392 2.127 20 30 CEEDHN CC(C#N)C(=O)NCc1csc(Br)c1 ZINC000306612884 400335004 /nfs/dbraw/zinc/33/50/04/400335004.db2.gz NEYHBKQMVVLKPM-ZCFIWIBFSA-N 0 3 273.155 2.286 20 30 CEEDHN C=CC(C)(C)CNCc1ccc(S(C)(=O)=O)s1 ZINC000414462539 400567630 /nfs/dbraw/zinc/56/76/30/400567630.db2.gz FNWDFUXSNLAVHV-UHFFFAOYSA-N 0 3 273.423 2.453 20 30 CEEDHN Cc1cc(CN(CCN(C)C)Cc2ccc(C#N)cc2)no1 ZINC000459560786 400586116 /nfs/dbraw/zinc/58/61/16/400586116.db2.gz NZGOKXKVJJSXSD-UHFFFAOYSA-N 0 3 298.390 2.419 20 30 CEEDHN C[C@@H](CCO)N(C)CC#Cc1cccc(Cl)c1 ZINC000649869585 400734853 /nfs/dbraw/zinc/73/48/53/400734853.db2.gz HNUWYVJOFQZJGR-LBPRGKRZSA-N 0 3 251.757 2.394 20 30 CEEDHN CO[C@]1(CN[C@H](C)c2ccc(C#N)cc2)CCOC1 ZINC000122840037 286174561 /nfs/dbraw/zinc/17/45/61/286174561.db2.gz KUMKGATWZZEFFV-DOMZBBRYSA-N 0 3 260.337 2.014 20 30 CEEDHN CC[C@@]1(CO)CCCN1Cc1ccc(C#N)cc1F ZINC000189670719 153103081 /nfs/dbraw/zinc/10/30/81/153103081.db2.gz UOGWDMVTFYCYPL-HNNXBMFYSA-N 0 3 262.328 2.434 20 30 CEEDHN N#Cc1ccc(OCCN[C@H]2CCCc3n[nH]cc32)cc1 ZINC000367601906 156213596 /nfs/dbraw/zinc/21/35/96/156213596.db2.gz QHVCPSISERVGTC-HNNXBMFYSA-N 0 3 282.347 2.327 20 30 CEEDHN CCc1nnc(N2CC[C@]3(CCN(C)C3)C2)c(C#N)c1CC ZINC000368300295 156318832 /nfs/dbraw/zinc/31/88/32/156318832.db2.gz WWRXAKJWGMJWAF-KRWDZBQOSA-N 0 3 299.422 2.005 20 30 CEEDHN C[C@H](NC[C@@H]1CN2CCCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000376178592 157195600 /nfs/dbraw/zinc/19/56/00/157195600.db2.gz RZZLEUFDYPJWEB-JCGIZDLHSA-N 0 3 299.418 2.462 20 30 CEEDHN CS[C@H](CO)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000181785009 286713762 /nfs/dbraw/zinc/71/37/62/286713762.db2.gz UWKGGWVUMYRPPB-COPLHBTASA-N 0 3 264.394 2.321 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)NCCN1CCCC[C@H]1C ZINC000161702916 162331181 /nfs/dbraw/zinc/33/11/81/162331181.db2.gz BEBDIYJSRMMBJU-CQSZACIVSA-N 0 3 285.391 2.471 20 30 CEEDHN CN(CC1CCC1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000177068492 165185881 /nfs/dbraw/zinc/18/58/81/165185881.db2.gz GWOYXLWTZLDUIZ-ZDUSSCGKSA-N 0 3 289.404 2.457 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCCN(C2CC2)CC1 ZINC000178926276 165262874 /nfs/dbraw/zinc/26/28/74/165262874.db2.gz ZEAULSLJZHRTPZ-UHFFFAOYSA-N 0 3 285.391 2.237 20 30 CEEDHN COC(=O)[C@H](C)CN(Cc1ccc(C#N)s1)C1CC1 ZINC000182070496 165364277 /nfs/dbraw/zinc/36/42/77/165364277.db2.gz CWWZHPOMMYEBRA-SNVBAGLBSA-N 0 3 278.377 2.393 20 30 CEEDHN C[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C1CCOCC1 ZINC000563815379 298800910 /nfs/dbraw/zinc/80/09/10/298800910.db2.gz NGKRPFIJPIDPOW-NSHDSACASA-N 0 3 289.335 2.371 20 30 CEEDHN CCNC(=O)C[C@H]1CCCCN1Cc1ccccc1C#N ZINC000284729032 196120189 /nfs/dbraw/zinc/12/01/89/196120189.db2.gz KEMXYCPRLPUVCV-MRXNPFEDSA-N 0 3 285.391 2.439 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000284764017 196127164 /nfs/dbraw/zinc/12/71/64/196127164.db2.gz MIDIQGXGUXCCNP-GVDBMIGSSA-N 0 3 286.375 2.235 20 30 CEEDHN C[C@H](NCc1ccc(OCC#N)cc1)[C@H]1CCCO1 ZINC000035273792 172094221 /nfs/dbraw/zinc/09/42/21/172094221.db2.gz DAKIYQDCKVJWQM-SWLSCSKDSA-N 0 3 260.337 2.246 20 30 CEEDHN CNC(=O)CC[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000285394963 196271145 /nfs/dbraw/zinc/27/11/45/196271145.db2.gz ANWMMSLBOSFFHL-MRXNPFEDSA-N 0 3 285.391 2.439 20 30 CEEDHN C[C@@H]1COCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC000285560763 196326761 /nfs/dbraw/zinc/32/67/61/196326761.db2.gz RNYCQAFZEBEVRM-DGCLKSJQSA-N 0 3 262.328 2.460 20 30 CEEDHN CN1CCC[C@H]1CNC(=O)c1cc(C#N)ccc1Cl ZINC000285572105 196331083 /nfs/dbraw/zinc/33/10/83/196331083.db2.gz NTLBRVHJXRMFIS-NSHDSACASA-N 0 3 277.755 2.036 20 30 CEEDHN CCN1CCC[C@@H](Nc2nc(C)cc(C)c2C#N)C1 ZINC000040503174 174299675 /nfs/dbraw/zinc/29/96/75/174299675.db2.gz GCYSQROQRRRREU-CYBMUJFWSA-N 0 3 258.369 2.466 20 30 CEEDHN CCN1CCC[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000040503172 174299766 /nfs/dbraw/zinc/29/97/66/174299766.db2.gz IFVSQOXYIGRUEP-GFCCVEGCSA-N 0 3 274.324 2.363 20 30 CEEDHN CCN1CCC[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000040503171 174300150 /nfs/dbraw/zinc/30/01/50/174300150.db2.gz IFVSQOXYIGRUEP-LBPRGKRZSA-N 0 3 274.324 2.363 20 30 CEEDHN CCOC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000040689425 174376575 /nfs/dbraw/zinc/37/65/75/174376575.db2.gz NLZNBPDYGXZMCP-UHFFFAOYSA-N 0 3 274.364 2.438 20 30 CEEDHN Cc1cc(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c(C#N)cn1 ZINC000425270015 414814440 /nfs/dbraw/zinc/81/44/40/414814440.db2.gz RZWASAFUTWOQET-XJKCOSOUSA-N 0 3 284.407 2.428 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(O[C@@H](C)COC)cc1 ZINC000657436487 414936793 /nfs/dbraw/zinc/93/67/93/414936793.db2.gz VJFMRXUUSIWZOO-ZFWWWQNUSA-N 0 3 279.380 2.127 20 30 CEEDHN C=CCCn1cc(CN[C@@H](C)Cc2ccc(O)cc2)nn1 ZINC000657348187 414876356 /nfs/dbraw/zinc/87/63/56/414876356.db2.gz NDYHLFLHOGSDSQ-ZDUSSCGKSA-N 0 3 286.379 2.281 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000660844894 415006186 /nfs/dbraw/zinc/00/61/86/415006186.db2.gz WQTJCYHKUCIYKF-KGLIPLIRSA-N 0 3 277.412 2.221 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000660858280 415010391 /nfs/dbraw/zinc/01/03/91/415010391.db2.gz HAWJOQPTTFLAEP-ZNMIVQPWSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCCCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654549425 414968654 /nfs/dbraw/zinc/96/86/54/414968654.db2.gz OQLXMHSTMJFTQA-KBPBESRZSA-N 0 3 265.401 2.269 20 30 CEEDHN OCCOCCN(CC#Cc1ccc(F)cc1)C1CCC1 ZINC000661098755 415095634 /nfs/dbraw/zinc/09/56/34/415095634.db2.gz FMHUUKHBJQXVLO-UHFFFAOYSA-N 0 3 291.366 2.041 20 30 CEEDHN C=CCCn1cc(CNC[C@@H]2CCC[C@@H]3C[C@@H]32)nn1 ZINC000657655686 415037811 /nfs/dbraw/zinc/03/78/11/415037811.db2.gz DYQRCMYGBXGPBR-IPYPFGDCSA-N 0 3 260.385 2.380 20 30 CEEDHN C=CCN(Cc1ccc2c(c1)OCCO2)[C@H](C)COC ZINC000661241562 415152671 /nfs/dbraw/zinc/15/26/71/415152671.db2.gz AWSIWWCDJDAVMT-CYBMUJFWSA-N 0 3 277.364 2.481 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@]2(C)CC2(C)C)CC1 ZINC000664018674 415124441 /nfs/dbraw/zinc/12/44/41/415124441.db2.gz BSGNAMPWYWWWSF-OAHLLOKOSA-N 0 3 265.401 2.125 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@]23C[C@H]2CCC3)CC1 ZINC000664017555 415125590 /nfs/dbraw/zinc/12/55/90/415125590.db2.gz YDYNZGFRLMCUCW-CZUORRHYSA-N 0 3 277.412 2.269 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](C)N(C)C ZINC000661275761 415174847 /nfs/dbraw/zinc/17/48/47/415174847.db2.gz ROLKLGDUULBDIY-MJBXVCDLSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CCC1(NC(=O)N[C@H]2CCN(C3CC3)C2)CCCC1 ZINC000664131116 415183864 /nfs/dbraw/zinc/18/38/64/415183864.db2.gz XRTWFZUZMQLOCX-ZDUSSCGKSA-N 0 3 277.412 2.411 20 30 CEEDHN CCC(C#N)(CC)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000044766754 175249740 /nfs/dbraw/zinc/24/97/40/175249740.db2.gz WZKGPKUYFBKTRH-ZDUSSCGKSA-N 0 3 267.417 2.409 20 30 CEEDHN C=CCOc1ccccc1C(=O)NC[C@@H]1CCCN1CC ZINC000045056692 175297990 /nfs/dbraw/zinc/29/79/90/175297990.db2.gz IVIUTQYVABKXCZ-AWEZNQCLSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CC[C@@H]1CCCN(CCCCS(C)(=O)=O)C1 ZINC000661380542 415232655 /nfs/dbraw/zinc/23/26/55/415232655.db2.gz NXYLQPBEKNBITB-CYBMUJFWSA-N 0 3 259.415 2.099 20 30 CEEDHN C=CC[C@@H]1CCCN(CC2(CS(C)(=O)=O)CC2)C1 ZINC000661382176 415234641 /nfs/dbraw/zinc/23/46/41/415234641.db2.gz UASXQAWYTBRGKG-CYBMUJFWSA-N 0 3 271.426 2.099 20 30 CEEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000661420117 415253990 /nfs/dbraw/zinc/25/39/90/415253990.db2.gz SEZDSDKXVGQEQX-FZKCQIBNSA-N 0 3 291.439 2.467 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@H]2CCCN2CC)C1 ZINC000664212867 415227725 /nfs/dbraw/zinc/22/77/25/415227725.db2.gz LEBYLRCSCIFYBW-HUUCEWRRSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CCOCCCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000659022967 415391883 /nfs/dbraw/zinc/39/18/83/415391883.db2.gz RBGWAAPXSIMARN-UHFFFAOYSA-N 0 3 275.352 2.004 20 30 CEEDHN C=CCCN(C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659045748 415395622 /nfs/dbraw/zinc/39/56/22/415395622.db2.gz YTLWUXXGDALQNL-OAHLLOKOSA-N 0 3 289.379 2.387 20 30 CEEDHN C=CCCCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659043289 415396586 /nfs/dbraw/zinc/39/65/86/415396586.db2.gz NYPWUSLZQJKMMD-OAHLLOKOSA-N 0 3 289.379 2.435 20 30 CEEDHN C=C(C)[C@@H](CO)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661666474 415390908 /nfs/dbraw/zinc/39/09/08/415390908.db2.gz ZASILAFZEQJAQZ-GVDBMIGSSA-N 0 3 275.392 2.021 20 30 CEEDHN C=CCN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C(C)(C)C ZINC000661755105 415444616 /nfs/dbraw/zinc/44/46/16/415444616.db2.gz KAECACKBAUCOPB-LSDHHAIUSA-N 0 3 294.439 2.443 20 30 CEEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccnc(OC)c1 ZINC000655774587 415456719 /nfs/dbraw/zinc/45/67/19/415456719.db2.gz XWAJVUHEGKFYOT-AAEUAGOBSA-N 0 3 250.342 2.068 20 30 CEEDHN C=CCCCNC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000664785162 415478077 /nfs/dbraw/zinc/47/80/77/415478077.db2.gz PSPUURQBMDFPOW-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCN(C(=O)C[C@H](N)c1ccccc1)[C@H](C)COC ZINC000659339743 415528205 /nfs/dbraw/zinc/52/82/05/415528205.db2.gz LLUQRRGFEZCHOT-HIFRSBDPSA-N 0 3 276.380 2.126 20 30 CEEDHN C=C[C@H](CO)NCCOc1ccc(C(F)(F)F)cc1 ZINC000662165884 415667254 /nfs/dbraw/zinc/66/72/54/415667254.db2.gz UNVWSDAQWRDNGL-LLVKDONJSA-N 0 3 275.270 2.221 20 30 CEEDHN C=C[C@H](CO)NC[C@H](OC)c1ccc(Cl)cc1 ZINC000662168671 415668989 /nfs/dbraw/zinc/66/89/89/415668989.db2.gz PZYQSHRWUAHOMR-OLZOCXBDSA-N 0 3 255.745 2.164 20 30 CEEDHN C=CC1CCN(CCc2nc(C(C)=O)c(C)[nH]2)CC1 ZINC000659915497 415779504 /nfs/dbraw/zinc/77/95/04/415779504.db2.gz HOZFGWATHXYYJC-UHFFFAOYSA-N 0 3 261.369 2.361 20 30 CEEDHN C=CC1CCN(CCc2nc(C)c(C(C)=O)[nH]2)CC1 ZINC000659915497 415779509 /nfs/dbraw/zinc/77/95/09/415779509.db2.gz HOZFGWATHXYYJC-UHFFFAOYSA-N 0 3 261.369 2.361 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc2c(n1)CCC2 ZINC000656636847 415792715 /nfs/dbraw/zinc/79/27/15/415792715.db2.gz JULJNDWUNYYDII-CVEARBPZSA-N 0 3 258.365 2.394 20 30 CEEDHN N#Cc1cc(NC(=O)NCCN2CCCCC2)ccc1F ZINC000077499441 177275480 /nfs/dbraw/zinc/27/54/80/177275480.db2.gz QVUSTUAVAZBZRQ-UHFFFAOYSA-N 0 3 290.342 2.305 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccco2)CC1 ZINC000078533143 177350884 /nfs/dbraw/zinc/35/08/84/177350884.db2.gz VGMLPSYGOAQLKX-UHFFFAOYSA-N 0 3 277.368 2.119 20 30 CEEDHN COCC[C@]1(NCc2ccc(C#N)c(C)c2)CCOC1 ZINC000488978405 269745347 /nfs/dbraw/zinc/74/53/47/269745347.db2.gz KCGDTLKBNBKWRT-INIZCTEOSA-N 0 3 274.364 2.152 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000346241097 225731930 /nfs/dbraw/zinc/73/19/30/225731930.db2.gz HSEVUTMADZPUDH-VHSXEESVSA-N 0 3 266.728 2.383 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000347124459 226033993 /nfs/dbraw/zinc/03/39/93/226033993.db2.gz OSBGPMKXOADPQP-VHSKPIJISA-N 0 3 250.248 2.097 20 30 CEEDHN CC(C#N)C(=O)NCc1ccccc1OC1CCC1 ZINC000347098488 226047629 /nfs/dbraw/zinc/04/76/29/226047629.db2.gz ZGAGJJNCZPNIIP-LLVKDONJSA-N 0 3 258.321 2.394 20 30 CEEDHN O=C(N[C@H]1CCCC[C@@H]1O)[C@H](C1CC1)N1CCCC1 ZINC000330278482 228089673 /nfs/dbraw/zinc/08/96/73/228089673.db2.gz PSKTXNJSVSPWKZ-IHRRRGAJSA-N 0 3 266.385 2.121 20 30 CEEDHN O=C(N[C@@H]1CCn2ccnc2C1)N[C@H]1CCCC(F)(F)C1 ZINC000330282487 228091968 /nfs/dbraw/zinc/09/19/68/228091968.db2.gz VIQPKWNRRWVRLG-MNOVXSKESA-N 0 3 298.337 2.279 20 30 CEEDHN N#CC[C@@H](CC(=O)NCCN1CCCC1)c1ccccc1 ZINC000353827089 228156633 /nfs/dbraw/zinc/15/66/33/228156633.db2.gz NSEBFHAHZUFNJG-INIZCTEOSA-N 0 3 285.391 2.286 20 30 CEEDHN CC(C)c1csc(C(C#N)C(=O)Nc2nncs2)n1 ZINC000179476469 260050690 /nfs/dbraw/zinc/05/06/90/260050690.db2.gz YKIYZHCDNBLGMW-SSDOTTSWSA-N 0 3 293.377 2.364 20 30 CEEDHN C#CC(C)(C)N(C)CCC(=O)Nc1cccc(F)c1 ZINC000298536930 260156994 /nfs/dbraw/zinc/15/69/94/260156994.db2.gz MRTSOUDIZLWVDO-UHFFFAOYSA-N 0 3 262.328 2.498 20 30 CEEDHN C#CCCN1CCC(C(=O)Nc2ccccc2)CC1 ZINC000299228008 260175518 /nfs/dbraw/zinc/17/55/18/260175518.db2.gz OTKIISUCAREFQL-UHFFFAOYSA-N 0 3 256.349 2.360 20 30 CEEDHN CN(C)c1nccc(CNC2CCC(C)(C#N)CC2)n1 ZINC000449254812 260321821 /nfs/dbraw/zinc/32/18/21/260321821.db2.gz YOFUJCJTDOWDJQ-UHFFFAOYSA-N 0 3 273.384 2.105 20 30 CEEDHN C[C@@H]1C[C@H](C)CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000127677968 260369531 /nfs/dbraw/zinc/36/95/31/260369531.db2.gz OUATXPBOUOEUTN-IOASZLSFSA-N 0 3 277.412 2.163 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(N(C)C)s1 ZINC000449548856 260723116 /nfs/dbraw/zinc/72/31/16/260723116.db2.gz RJBJACUUWVOACL-NEPJUHHUSA-N 0 3 267.398 2.032 20 30 CEEDHN C=CCCCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000448092844 260829240 /nfs/dbraw/zinc/82/92/40/260829240.db2.gz GLDSPBOKVDRGNF-INIZCTEOSA-N 0 3 289.423 2.425 20 30 CEEDHN C=CCCCNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000448387200 261137841 /nfs/dbraw/zinc/13/78/41/261137841.db2.gz WZNFVZYLWUQRMB-KBPBESRZSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CCN1CCC(NC(=O)CC[C@@H]2CC[C@H](C)O2)CC1 ZINC000173160723 261157543 /nfs/dbraw/zinc/15/75/43/261157543.db2.gz KKORKFAAMSBDBN-ZFWWWQNUSA-N 0 3 280.412 2.101 20 30 CEEDHN CN(C)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cn1 ZINC000361460021 261280146 /nfs/dbraw/zinc/28/01/46/261280146.db2.gz PRRMFFDRMSJASV-TZMCWYRMSA-N 0 3 258.369 2.320 20 30 CEEDHN C=CCN1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000364150633 262158143 /nfs/dbraw/zinc/15/81/43/262158143.db2.gz HNQAUVVFPXYYMZ-ZDUSSCGKSA-N 0 3 256.353 2.170 20 30 CEEDHN CC(C)(C#N)CCCCN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000364354904 262215041 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CEEDHN CC[C@@H]1CN(CCN[C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000494463287 267202986 /nfs/dbraw/zinc/20/29/86/267202986.db2.gz FJIUOQYGMXGOKC-WMLDXEAASA-N 0 3 287.407 2.320 20 30 CEEDHN C=CCC[C@H](O)CN1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000369052500 267218749 /nfs/dbraw/zinc/21/87/49/267218749.db2.gz BOPDPLNCHDPEND-BFHYXJOUSA-N 0 3 253.386 2.345 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)c1cc(C#N)[nH]c1C ZINC000448981021 267226406 /nfs/dbraw/zinc/22/64/06/267226406.db2.gz DPCYOFPZFPQDFO-AWEZNQCLSA-N 0 3 288.395 2.189 20 30 CEEDHN CN(C(=O)/C=C\c1ccc(C#N)cc1)[C@H]1CN2CCC1CC2 ZINC000491791602 267269485 /nfs/dbraw/zinc/26/94/85/267269485.db2.gz FZIMCBHEYNRCQZ-TUYSUELWSA-N 0 3 295.386 2.124 20 30 CEEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1CCC#N ZINC000370010929 267283136 /nfs/dbraw/zinc/28/31/36/267283136.db2.gz OLHLWFWBVDQLHZ-OAHLLOKOSA-N 0 3 257.381 2.496 20 30 CEEDHN C#CCCCC(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000370110473 267291768 /nfs/dbraw/zinc/29/17/68/267291768.db2.gz IDAKCBRRXHUEKW-CQSZACIVSA-N 0 3 286.375 2.146 20 30 CEEDHN CN(CC(=O)NCc1ccc(C#N)cc1)C1(C)CCCC1 ZINC000489903672 267297621 /nfs/dbraw/zinc/29/76/21/267297621.db2.gz ZISDEJYHPUCZCB-UHFFFAOYSA-N 0 3 285.391 2.439 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000491490981 267304100 /nfs/dbraw/zinc/30/41/00/267304100.db2.gz DNVGCEOQMVIYRE-FPLPWBNLSA-N 0 3 297.402 2.372 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)/C=C\c3cccc(C#N)c3)[C@@H]2C1 ZINC000492399437 267340042 /nfs/dbraw/zinc/34/00/42/267340042.db2.gz OIYZTYVWVIRSFY-MBZYTVFJSA-N 0 3 295.386 2.124 20 30 CEEDHN N#CC1(CNC2CCN(Cc3cccnc3)CC2)CCC1 ZINC000418143048 267365314 /nfs/dbraw/zinc/36/53/14/267365314.db2.gz OKBDEHZDNBQTBI-UHFFFAOYSA-N 0 3 284.407 2.329 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CCCC12CCN(C)CC2 ZINC000371362304 267396238 /nfs/dbraw/zinc/39/62/38/267396238.db2.gz ZXNQUTWLUOUQAF-AWEZNQCLSA-N 0 3 280.412 2.054 20 30 CEEDHN N#CCCCCN1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374921863 267821643 /nfs/dbraw/zinc/82/16/43/267821643.db2.gz ZPACGUZEALCOGD-OAHLLOKOSA-N 0 3 262.328 2.413 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N1CCCN(CCCOC)CC1 ZINC000375135337 267832569 /nfs/dbraw/zinc/83/25/69/267832569.db2.gz JZESSVOHPUNISH-OAHLLOKOSA-N 0 3 282.428 2.160 20 30 CEEDHN Cc1ccc(NC[C@H]2N(C)CCCC2(C)C)nc1C#N ZINC000447810394 268026359 /nfs/dbraw/zinc/02/63/59/268026359.db2.gz INJBNURLYURKSV-CQSZACIVSA-N 0 3 272.396 2.216 20 30 CEEDHN Cc1ccc2ncc(C#N)c(N3CCN[C@H](C)C3)c2c1 ZINC000420241817 268048689 /nfs/dbraw/zinc/04/86/89/268048689.db2.gz ORFBMSZTSLPGBP-GFCCVEGCSA-N 0 3 266.348 2.213 20 30 CEEDHN N#Cc1ccc([C@@H](NCC2CCC(C#N)CC2)C(N)=O)cc1 ZINC000442105012 268262397 /nfs/dbraw/zinc/26/23/97/268262397.db2.gz GCZIEROLEVBUPC-LDZOIKDWSA-N 0 3 296.374 2.004 20 30 CEEDHN N#Cc1cccc(NC(=O)NC[C@H]2CCN2C2CCCC2)n1 ZINC000529125962 268280305 /nfs/dbraw/zinc/28/03/05/268280305.db2.gz WVPBEZQAQYZQJD-CQSZACIVSA-N 0 3 299.378 2.092 20 30 CEEDHN N#Cc1cccc(OCCN2C[C@@H]3C[C@H]2CS3)c1 ZINC000459800064 268284904 /nfs/dbraw/zinc/28/49/04/268284904.db2.gz YUMBUDABBKFNCD-JSGCOSHPSA-N 0 3 260.362 2.127 20 30 CEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1C[C@H]1c1ccco1 ZINC000530232572 268303801 /nfs/dbraw/zinc/30/38/01/268303801.db2.gz KBOXVCSMYGCEQC-RBSFLKMASA-N 0 3 298.342 2.037 20 30 CEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(C#N)o1 ZINC000429801466 271344634 /nfs/dbraw/zinc/34/46/34/271344634.db2.gz MBTHYDNRUUMWGX-NWDGAFQWSA-N 0 3 275.352 2.001 20 30 CEEDHN C[C@@H]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@H]1C ZINC000248326979 274304155 /nfs/dbraw/zinc/30/41/55/274304155.db2.gz CEBVGJITURVIPR-WWGRRREGSA-N 0 3 283.375 2.394 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CNCCC1(F)F)CC2 ZINC000335365111 274926856 /nfs/dbraw/zinc/92/68/56/274926856.db2.gz YEANPJOHAFEZEE-UONOGXRCSA-N 0 3 277.318 2.132 20 30 CEEDHN C#CC[C@H](NC(=O)NCCN(C)C1CC1)c1ccccc1 ZINC000270398365 275385179 /nfs/dbraw/zinc/38/51/79/275385179.db2.gz JIVJRTLLAIIIKE-INIZCTEOSA-N 0 3 285.391 2.144 20 30 CEEDHN CCN1CCN(CCCC2(C#N)CCOCC2)[C@H](C)C1 ZINC000352667621 276383961 /nfs/dbraw/zinc/38/39/61/276383961.db2.gz LUEFZYJHFXRXAW-OAHLLOKOSA-N 0 3 279.428 2.113 20 30 CEEDHN CC(C)C(=O)NC[C@@H]1CCCN([C@@H](C)CCC#N)C1 ZINC000351231653 277333674 /nfs/dbraw/zinc/33/36/74/277333674.db2.gz WAEIKDZFVJQAHG-KBPBESRZSA-N 0 3 265.401 2.163 20 30 CEEDHN C[C@H](CNC(=O)N[C@@H]1CCOC2(CCC2)C1)N(C)C1CC1 ZINC000330218207 278159568 /nfs/dbraw/zinc/15/95/68/278159568.db2.gz ONFXKQVDTYIQFB-CHWSQXEVSA-N 0 3 295.427 2.074 20 30 CEEDHN CC(C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930660 279652786 /nfs/dbraw/zinc/65/27/86/279652786.db2.gz YKJHUHJNPQQFRS-UHFFFAOYSA-N 0 3 273.380 2.104 20 30 CEEDHN Cc1cc(C#N)cc(N2CC[C@H](N3CCCCC3)C2)n1 ZINC000161052704 280314272 /nfs/dbraw/zinc/31/42/72/280314272.db2.gz VNUQFGRDRWVSNL-HNNXBMFYSA-N 0 3 270.380 2.326 20 30 CEEDHN CC[C@H]1CCCCCN1CC(=O)NC1(C#N)CCC1 ZINC000347062973 281041522 /nfs/dbraw/zinc/04/15/22/281041522.db2.gz XORLGYNTWUZOGH-ZDUSSCGKSA-N 0 3 263.385 2.203 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)s1)C[C@@H]1CCCO1 ZINC000349065153 289145047 /nfs/dbraw/zinc/14/50/47/289145047.db2.gz XVUKEAJDAYVDNN-ZDUSSCGKSA-N 0 3 293.436 2.162 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000352894750 290221790 /nfs/dbraw/zinc/22/17/90/290221790.db2.gz UYEFLBUTEYWTMQ-RKVPGOIHSA-N 0 3 299.418 2.414 20 30 CEEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2)[C@@H]1n1cccn1 ZINC000559360697 298617982 /nfs/dbraw/zinc/61/79/82/298617982.db2.gz OUIYZBXIQJBXFN-BBWFWOEESA-N 0 3 296.374 2.263 20 30 CEEDHN CC[C@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)cn1 ZINC000571294947 314083577 /nfs/dbraw/zinc/08/35/77/314083577.db2.gz KKANWHJQHHOPTC-GJZGRUSLSA-N 0 3 259.353 2.079 20 30 CEEDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000575123911 314207513 /nfs/dbraw/zinc/20/75/13/314207513.db2.gz AQLWZULFRHMSCT-JHJVBQTASA-N 0 3 283.379 2.467 20 30 CEEDHN COC(=O)[C@H]1CC[C@@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000577922162 314426626 /nfs/dbraw/zinc/42/66/26/314426626.db2.gz HGTQJQLFFQIADB-LZWOXQAQSA-N 0 3 284.359 2.477 20 30 CEEDHN C=C(C)[C@@H](CC(=O)NC[C@@H]1CCCCN1CC)OCC ZINC000339365203 328008384 /nfs/dbraw/zinc/00/83/84/328008384.db2.gz ZQTUQRQZTNPMBE-LSDHHAIUSA-N 0 3 282.428 2.348 20 30 CEEDHN CC1CC(C#N)(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000531554592 328017067 /nfs/dbraw/zinc/01/70/67/328017067.db2.gz HTSNVYUOCJCCML-GNHJJJEISA-N 0 3 285.391 2.345 20 30 CEEDHN CC1CC(C#N)(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)C1 ZINC000531557104 328017437 /nfs/dbraw/zinc/01/74/37/328017437.db2.gz FYDQKPYWFQLLJE-WJEHIRDRSA-N 0 3 277.412 2.305 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@H](OCC(F)(F)F)C1 ZINC000531614169 328019243 /nfs/dbraw/zinc/01/92/43/328019243.db2.gz MIOANPRDNSDAMI-RYUDHWBXSA-N 0 3 281.318 2.357 20 30 CEEDHN COc1ccc(CN(C)C(=O)C(C)C#N)cc1Cl ZINC000412798539 328126574 /nfs/dbraw/zinc/12/65/74/328126574.db2.gz QRBMKJPQGVSHHJ-SECBINFHSA-N 0 3 266.728 2.467 20 30 CEEDHN CC[C@@H](C(=O)N[C@H](C#N)c1ccccc1Cl)N(C)C ZINC000413462581 328146670 /nfs/dbraw/zinc/14/66/70/328146670.db2.gz XJRHSJOHXDRARY-OLZOCXBDSA-N 0 3 279.771 2.361 20 30 CEEDHN CN(C)Cc1ccc(C(N)=NOCCOC(C)(C)C)cc1 ZINC000267030301 328172027 /nfs/dbraw/zinc/17/20/27/328172027.db2.gz VBPOFCOAVQGDRX-UHFFFAOYSA-N 0 3 293.411 2.200 20 30 CEEDHN N#CCSCCCN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000173869944 329153057 /nfs/dbraw/zinc/15/30/57/329153057.db2.gz RASMVPFYWXWBGS-GFCCVEGCSA-N 0 3 264.398 2.236 20 30 CEEDHN C[C@H](NC(=O)c1ccc(CC#N)cc1)C1=CCN(C)CC1 ZINC000272655973 328200521 /nfs/dbraw/zinc/20/05/21/328200521.db2.gz FYZGZUHHUPOPCH-ZDUSSCGKSA-N 0 3 283.375 2.133 20 30 CEEDHN CN(C)CCc1ccccc1NC(=O)C(C)(C)C#N ZINC000275674163 328215861 /nfs/dbraw/zinc/21/58/61/328215861.db2.gz PKDSIOAKGNHVTM-UHFFFAOYSA-N 0 3 259.353 2.279 20 30 CEEDHN CCn1ccnc1[C@H]1OCC[C@@H]1N[C@H]1CCC[C@@H](C#N)C1 ZINC000278415394 328225629 /nfs/dbraw/zinc/22/56/29/328225629.db2.gz QRKNLRUOKKHZFU-QPSCCSFWSA-N 0 3 288.395 2.405 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2COc3ccccc3[C@H]2O)C1 ZINC000290247823 328258710 /nfs/dbraw/zinc/25/87/10/328258710.db2.gz JQPFNJKPJVMAAK-FAXLKDOZSA-N 0 3 272.348 2.153 20 30 CEEDHN C[C@H](O)CC(C)(C)CNCc1cnc2ccc(C#N)cn12 ZINC000174464210 321701091 /nfs/dbraw/zinc/70/10/91/321701091.db2.gz SKCRKMAQWUKIRV-LBPRGKRZSA-N 0 3 286.379 2.093 20 30 CEEDHN C#CCN1CCC(C(=O)NCc2ccc(C)s2)CC1 ZINC000048963456 328326838 /nfs/dbraw/zinc/32/68/38/328326838.db2.gz YXNIBAKPNXCVMJ-UHFFFAOYSA-N 0 3 276.405 2.018 20 30 CEEDHN C#CC[C@@H](NCCN1CCO[C@@H](C)C1)c1ccccc1 ZINC000283456986 328513818 /nfs/dbraw/zinc/51/38/18/328513818.db2.gz YMUMFFQBRZCWJO-DOTOQJQBSA-N 0 3 272.392 2.061 20 30 CEEDHN CCN(CC1CC1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000343693420 327034591 /nfs/dbraw/zinc/03/45/91/327034591.db2.gz VMFHDTLSBHEDTO-SWLSCSKDSA-N 0 3 265.401 2.161 20 30 CEEDHN CC(C)[C@@H](NC[C@H](C#N)CCC#N)C1(CO)CCC1 ZINC000576754967 327039311 /nfs/dbraw/zinc/03/93/11/327039311.db2.gz ACDODMJXTVEMPE-UONOGXRCSA-N 0 3 263.385 2.207 20 30 CEEDHN N#CCC[C@H](C#N)CNC1CCN(Cc2ccncc2)CC1 ZINC000558732071 327117762 /nfs/dbraw/zinc/11/77/62/327117762.db2.gz OPLRMCJJSQVRAB-MRXNPFEDSA-N 0 3 297.406 2.079 20 30 CEEDHN C=CCCCC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000569608667 327209870 /nfs/dbraw/zinc/20/98/70/327209870.db2.gz MRPFHLYHVOROPW-HNNXBMFYSA-N 0 3 258.365 2.427 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](C)COCc1ccccc1 ZINC000347044398 327274521 /nfs/dbraw/zinc/27/45/21/327274521.db2.gz XUYOMBCYDPYKNX-OLZOCXBDSA-N 0 3 260.337 2.115 20 30 CEEDHN CN(CCC(C)(C)C#N)C[C@@H]1CCCN1c1cccnn1 ZINC000119944466 327296017 /nfs/dbraw/zinc/29/60/17/327296017.db2.gz QVWUSPQNOZNWNQ-AWEZNQCLSA-N 0 3 287.411 2.317 20 30 CEEDHN CCC[C@@H](C(=O)N1CCC(CCC#N)CC1)N(C)C ZINC000569931318 327556895 /nfs/dbraw/zinc/55/68/95/327556895.db2.gz VITLCJFMTBJJMJ-AWEZNQCLSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)C(C)C)CC1 ZINC000172390293 329135183 /nfs/dbraw/zinc/13/51/83/329135183.db2.gz YBTYKWLMHRYCGB-CYBMUJFWSA-N 0 3 267.417 2.228 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)c2cccc(CC#N)c2)CN1C1CC1 ZINC000177168513 329181329 /nfs/dbraw/zinc/18/13/29/329181329.db2.gz XJINKWZBCYWRPH-SWLSCSKDSA-N 0 3 283.375 2.108 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000179467964 329208778 /nfs/dbraw/zinc/20/87/78/329208778.db2.gz YMUVTLBQHHVYTR-MRXNPFEDSA-N 0 3 296.374 2.127 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCCCOC(C)C)CC1 ZINC000181886169 329238268 /nfs/dbraw/zinc/23/82/68/329238268.db2.gz HCSWNCQTPRXNRZ-UHFFFAOYSA-N 0 3 297.443 2.141 20 30 CEEDHN C#C[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000185361807 329271207 /nfs/dbraw/zinc/27/12/07/329271207.db2.gz VNIPYAWKKLZANK-UKRRQHHQSA-N 0 3 288.366 2.176 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N(C)CC1CCN(C)CC1 ZINC000185472425 329274043 /nfs/dbraw/zinc/27/40/43/329274043.db2.gz SVOOQOAKSCSFNT-CYBMUJFWSA-N 0 3 252.402 2.389 20 30 CEEDHN CC[C@H]1[C@@H](C)CCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000185676628 329328910 /nfs/dbraw/zinc/32/89/10/329328910.db2.gz YSBIXFBWRMEZAZ-IHRRRGAJSA-N 0 3 265.401 2.115 20 30 CEEDHN CC(C)(CC#N)CNCc1cnc(N2CCOCC2)s1 ZINC000459727534 329372467 /nfs/dbraw/zinc/37/24/67/329372467.db2.gz GYOWUSBCYPAFBU-UHFFFAOYSA-N 0 3 294.424 2.009 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(C)CCCCC1 ZINC000392790389 329384010 /nfs/dbraw/zinc/38/40/10/329384010.db2.gz XXRBBGRLLTVCSJ-UHFFFAOYSA-N 0 3 250.386 2.028 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCCC)C(C)C ZINC000125577967 329584603 /nfs/dbraw/zinc/58/46/03/329584603.db2.gz RQZQNCBXERGWRX-CQSZACIVSA-N 0 3 267.417 2.394 20 30 CEEDHN N#CCCCN1CCC(C(=O)Nc2ccccn2)CC1 ZINC000048871473 329630843 /nfs/dbraw/zinc/63/08/43/329630843.db2.gz DKYZWQVESSPYQJ-UHFFFAOYSA-N 0 3 272.352 2.036 20 30 CEEDHN CC#CCNC(=O)NC1CCN(Cc2cccc(C)c2)CC1 ZINC000135056081 329663597 /nfs/dbraw/zinc/66/35/97/329663597.db2.gz JZZUJQGKELTNNI-UHFFFAOYSA-N 0 3 299.418 2.282 20 30 CEEDHN CN(C)CCN(Cc1ccccn1)CC1(C#N)CCC1 ZINC000572301107 329970858 /nfs/dbraw/zinc/97/08/58/329970858.db2.gz XKWRRTWHJWNBFC-UHFFFAOYSA-N 0 3 272.396 2.139 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000572367065 330010806 /nfs/dbraw/zinc/01/08/06/330010806.db2.gz JDNRDVOFJJVHQU-ZBFHGGJFSA-N 0 3 275.396 2.356 20 30 CEEDHN C=CCOCCCC(=O)NC[C@H](N)c1ccccc1CC ZINC000423952238 330217121 /nfs/dbraw/zinc/21/71/21/330217121.db2.gz ZZTCUTQXLWUIBN-INIZCTEOSA-N 0 3 290.407 2.348 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000424061334 330218927 /nfs/dbraw/zinc/21/89/27/330218927.db2.gz FICPFSLUFDVEKA-SNVBAGLBSA-N 0 3 292.408 2.372 20 30 CEEDHN CC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(OC)cc1 ZINC000424070417 330220003 /nfs/dbraw/zinc/22/00/03/330220003.db2.gz XPOBZOSQLZCKBW-LSDHHAIUSA-N 0 3 289.379 2.284 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccccc1Cl ZINC000424074738 330220429 /nfs/dbraw/zinc/22/04/29/330220429.db2.gz HTYCKCJQEJDLDF-SNVBAGLBSA-N 0 3 251.717 2.300 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCCc1ccccc1Cl ZINC000424080051 330221721 /nfs/dbraw/zinc/22/17/21/330221721.db2.gz HKPJFWUONFXNHQ-CYBMUJFWSA-N 0 3 279.771 2.020 20 30 CEEDHN CC(C)Oc1ccc(CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424088581 330224319 /nfs/dbraw/zinc/22/43/19/330224319.db2.gz ULJPGBBDBGMHBG-OAHLLOKOSA-N 0 3 289.379 2.111 20 30 CEEDHN Cc1ccccc1C[C@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424092750 330225929 /nfs/dbraw/zinc/22/59/29/330225929.db2.gz PQVSXLJCRLVPJK-DZGCQCFKSA-N 0 3 273.380 2.063 20 30 CEEDHN Cc1ccccc1[C@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424114335 330242895 /nfs/dbraw/zinc/24/28/95/330242895.db2.gz QMGVDUGKMANFEA-GOEBONIOSA-N 0 3 285.391 2.332 20 30 CEEDHN Cc1ccccc1C(C)(C)CNC(=O)[C@H](N)CCCC#N ZINC000424115830 330243485 /nfs/dbraw/zinc/24/34/85/330243485.db2.gz WCZIUAVNKNACDD-OAHLLOKOSA-N 0 3 287.407 2.410 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000424119223 330245936 /nfs/dbraw/zinc/24/59/36/330245936.db2.gz FKNKXWSGTHZBAT-IHRRRGAJSA-N 0 3 263.385 2.093 20 30 CEEDHN CCS[C@@H]1CC[C@H](N(C)C(=O)[C@H](N)CCCC#N)C1 ZINC000424120022 330247909 /nfs/dbraw/zinc/24/79/09/330247909.db2.gz GRGUEMOXSYVSDA-YNEHKIRRSA-N 0 3 283.441 2.140 20 30 CEEDHN C[C@@H]1CCCC[C@H]1CCNC(=O)[C@@H](N)CCCC#N ZINC000424134031 330266685 /nfs/dbraw/zinc/26/66/85/330266685.db2.gz HLBCNTHVUXRINU-RDBSUJKOSA-N 0 3 265.401 2.340 20 30 CEEDHN Cc1nc(C(C)(C)NC(=O)[C@H](N)CCCC#N)sc1C ZINC000424149037 330295700 /nfs/dbraw/zinc/29/57/00/330295700.db2.gz VTWJSFYFXGKTNG-LLVKDONJSA-N 0 3 294.424 2.132 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000424172001 330311843 /nfs/dbraw/zinc/31/18/43/330311843.db2.gz MRUJIEFLQVQLCM-ARFHVFGLSA-N 0 3 285.391 2.460 20 30 CEEDHN Cn1cc(NC(=O)[C@H](N)CCCC#N)c(-c2ccccc2)n1 ZINC000424178518 330318258 /nfs/dbraw/zinc/31/82/58/330318258.db2.gz WVQZAEVZVXCWOV-CYBMUJFWSA-N 0 3 297.362 2.047 20 30 CEEDHN CCC(C)(C)[C@@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424179022 330318483 /nfs/dbraw/zinc/31/84/83/330318483.db2.gz YAOHOAUJNVHHAP-OLZOCXBDSA-N 0 3 265.401 2.435 20 30 CEEDHN C[C@@H]1CC[C@]2(CCN(C(=O)[C@@H](N)CCCC#N)C2)C1 ZINC000424182837 330319979 /nfs/dbraw/zinc/31/99/79/330319979.db2.gz AKZSMQOFMQNXRL-IPYPFGDCSA-N 0 3 263.385 2.046 20 30 CEEDHN CC(C)(C)C[C@@H](NC(=O)[C@H](N)CCCC#N)C(F)(F)F ZINC000424187577 330321071 /nfs/dbraw/zinc/32/10/71/330321071.db2.gz JISIMEOGSSWMSW-NXEZZACHSA-N 0 3 293.333 2.491 20 30 CEEDHN COc1cc(NC(=O)[C@@H](N)CCCC#N)ccc1Cl ZINC000424188333 330322003 /nfs/dbraw/zinc/32/20/03/330322003.db2.gz JLNLHWDOPNKXOS-NSHDSACASA-N 0 3 281.743 2.308 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)c1ccccc1CN(C)C ZINC000433298043 330623319 /nfs/dbraw/zinc/62/33/19/330623319.db2.gz NJUWKHZXUDQSIM-ZDUSSCGKSA-N 0 3 273.380 2.370 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)NCCN1CCC(C)CC1 ZINC000437629300 330705448 /nfs/dbraw/zinc/70/54/48/330705448.db2.gz YNAYVMYFGOULKK-MRXNPFEDSA-N 0 3 282.428 2.063 20 30 CEEDHN C=CCCCN(C)C(=O)NCC1(N(C)C)CCC1 ZINC000445860941 330840566 /nfs/dbraw/zinc/84/05/66/330840566.db2.gz HPDPZVRBPJYADI-UHFFFAOYSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCC1(C(=O)NCCN2CCCC2)CCCC1 ZINC000449189866 330904963 /nfs/dbraw/zinc/90/49/63/330904963.db2.gz VGKVKYWSXKHTEY-UHFFFAOYSA-N 0 3 250.386 2.335 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnn2ccccc12 ZINC000449546901 330935317 /nfs/dbraw/zinc/93/53/17/330935317.db2.gz FFSMJWLYOBZZMF-HIFRSBDPSA-N 0 3 257.337 2.158 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCCCCCO ZINC000451517594 331032183 /nfs/dbraw/zinc/03/21/83/331032183.db2.gz NPIREMDJBODJQK-OAHLLOKOSA-N 0 3 274.364 2.038 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](OCC)[C@H](C)C1 ZINC000451521200 331032290 /nfs/dbraw/zinc/03/22/90/331032290.db2.gz DBYLFQNDWRRPIH-PMPSAXMXSA-N 0 3 294.439 2.322 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](C)CCCC(C)C ZINC000451601211 331035870 /nfs/dbraw/zinc/03/58/70/331035870.db2.gz UNTQYZCZPRKGND-ZNMIVQPWSA-N 0 3 282.428 2.251 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@]2(CCOC2)C1 ZINC000451901384 331046751 /nfs/dbraw/zinc/04/67/51/331046751.db2.gz MZNJNHRWSYBSEX-RDJZCZTQSA-N 0 3 294.439 2.302 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)[C@]1(C#N)C[C@@H]1C ZINC000451937273 331047640 /nfs/dbraw/zinc/04/76/40/331047640.db2.gz ZPRXJLKDSAIJDO-HOCLYGCPSA-N 0 3 277.412 2.261 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1[C@@H](C)CCC1(C)C ZINC000452000078 331049836 /nfs/dbraw/zinc/04/98/36/331049836.db2.gz BNNMUKGJPQWMOK-WFASDCNBSA-N 0 3 265.401 2.304 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1[C@H](C)CCC1(C)C ZINC000452000076 331049877 /nfs/dbraw/zinc/04/98/77/331049877.db2.gz BNNMUKGJPQWMOK-IUODEOHRSA-N 0 3 265.401 2.304 20 30 CEEDHN CC#CCCN1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000451998876 331049898 /nfs/dbraw/zinc/04/98/98/331049898.db2.gz CDFAFCZTRUXREP-HZPDHXFCSA-N 0 3 271.360 2.288 20 30 CEEDHN C[C@H](CCCCO)NC(=O)C(C#N)CCc1ccccc1 ZINC000452986331 331082887 /nfs/dbraw/zinc/08/28/87/331082887.db2.gz MMYZYGUDTZCKCB-GDBMZVCRSA-N 0 3 288.391 2.426 20 30 CEEDHN C=CCOc1ccc(CNC[C@@]2(C)CCC(=O)N2)cc1 ZINC000453591531 331135282 /nfs/dbraw/zinc/13/52/82/331135282.db2.gz QXQIIPWRGIICMB-MRXNPFEDSA-N 0 3 274.364 2.010 20 30 CEEDHN C=C(C)CCNC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000454644927 331150316 /nfs/dbraw/zinc/15/03/16/331150316.db2.gz OTGNJURSBGSIKH-ZIAGYGMSSA-N 0 3 267.417 2.372 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCC[C@H]1CO ZINC000456782561 331203542 /nfs/dbraw/zinc/20/35/42/331203542.db2.gz WNTYKGWJKKQGGC-JYJNAYRXSA-N 0 3 286.375 2.036 20 30 CEEDHN CC(C)(CN1CCCC1)NC(=O)c1cccc(CC#N)c1 ZINC000457053115 331211053 /nfs/dbraw/zinc/21/10/53/331211053.db2.gz OPRNMGQCZRLKAE-UHFFFAOYSA-N 0 3 285.391 2.357 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)CC1CCN(C)CC1 ZINC000457528350 331225911 /nfs/dbraw/zinc/22/59/11/331225911.db2.gz MHCSFGAGLOZCEJ-HZPDHXFCSA-N 0 3 294.439 2.158 20 30 CEEDHN C=CCC1(CNC(=O)NCCN(C)CC)CCCC1 ZINC000458022882 331241051 /nfs/dbraw/zinc/24/10/51/331241051.db2.gz VRROURFGESMXIU-UHFFFAOYSA-N 0 3 267.417 2.374 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000458335311 331249345 /nfs/dbraw/zinc/24/93/45/331249345.db2.gz OCYMEZHPWVCRDL-UKRRQHHQSA-N 0 3 279.428 2.371 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)NCC(C)(C)CC#N ZINC000458735382 331258477 /nfs/dbraw/zinc/25/84/77/331258477.db2.gz IVNXZILECCPDSV-ZDUSSCGKSA-N 0 3 294.443 2.346 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000458811496 331260888 /nfs/dbraw/zinc/26/08/88/331260888.db2.gz ONTOCOKYMDVATF-KBPBESRZSA-N 0 3 279.428 2.324 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)NC[C@H](C)N(C)C ZINC000459040709 331267877 /nfs/dbraw/zinc/26/78/77/331267877.db2.gz MOCMUOUKUYKFMQ-ZDUSSCGKSA-N 0 3 293.386 2.473 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)C1CC(C)(C)C1 ZINC000459749110 331298178 /nfs/dbraw/zinc/29/81/78/331298178.db2.gz YCFJVQCEMGRZBK-LBPRGKRZSA-N 0 3 265.401 2.115 20 30 CEEDHN C=CCN1CCC(NC(=O)CCc2ccc(C)o2)CC1 ZINC000471953703 331524738 /nfs/dbraw/zinc/52/47/38/331524738.db2.gz KIBUZQFSFCUMME-UHFFFAOYSA-N 0 3 276.380 2.287 20 30 CEEDHN C[C@H]1CN(C(=O)NCCCCC#N)CCN(C2CCC2)C1 ZINC000488860446 332029910 /nfs/dbraw/zinc/02/99/10/332029910.db2.gz UMJPYAXBHMFZIB-CQSZACIVSA-N 0 3 292.427 2.196 20 30 CEEDHN C=CCn1cccc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000489073599 332040476 /nfs/dbraw/zinc/04/04/76/332040476.db2.gz LTXJATKCHDGCST-HNNXBMFYSA-N 0 3 287.407 2.375 20 30 CEEDHN C=C[C@@H]1CCCCN1CC(O)CN1CCCC[C@H]1C=C ZINC000489499653 332057107 /nfs/dbraw/zinc/05/71/07/332057107.db2.gz SQRPKTNJZIZFIY-HZPDHXFCSA-N 0 3 278.440 2.428 20 30 CEEDHN C=CCCCS(=O)(=O)N(C)CC[C@@H]1CCCCN1C ZINC000489608873 332061254 /nfs/dbraw/zinc/06/12/54/332061254.db2.gz ISTJMFQFIOTUEY-AWEZNQCLSA-N 0 3 288.457 2.089 20 30 CEEDHN C=CCCCS(=O)(=O)N[C@H](C)CN1CCCCCC1 ZINC000489667902 332064062 /nfs/dbraw/zinc/06/40/62/332064062.db2.gz OZZBICKQLAGTMI-CQSZACIVSA-N 0 3 288.457 2.137 20 30 CEEDHN C=CCCCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000490355680 332087296 /nfs/dbraw/zinc/08/72/96/332087296.db2.gz VZFWFUMKZMIECO-QLFBSQMISA-N 0 3 279.428 2.324 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@H]2CCCC(F)(F)C2)CC1 ZINC000491191616 332162822 /nfs/dbraw/zinc/16/28/22/332162822.db2.gz GANAPOKOTYPVDC-ZDUSSCGKSA-N 0 3 298.377 2.273 20 30 CEEDHN C#C[C@H](CCC)NC(=O)CCN1CCc2ccccc2C1 ZINC000491337716 332192204 /nfs/dbraw/zinc/19/22/04/332192204.db2.gz CEVRLZYVPFAQHF-QGZVFWFLSA-N 0 3 284.403 2.353 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1c[nH]cc1-c1ccccc1 ZINC000491417825 332208071 /nfs/dbraw/zinc/20/80/71/332208071.db2.gz OUJXNOWDQQAAGY-UHFFFAOYSA-N 0 3 295.386 2.367 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000491427693 332209753 /nfs/dbraw/zinc/20/97/53/332209753.db2.gz LQJUXLIBENQPNO-DOTOQJQBSA-N 0 3 296.414 2.394 20 30 CEEDHN C#C[C@H](NC[C@@H](O)Cc1cccc(Cl)c1)C(C)C ZINC000491486461 332221078 /nfs/dbraw/zinc/22/10/78/332221078.db2.gz WIMVVUCQUXKKEC-GJZGRUSLSA-N 0 3 265.784 2.491 20 30 CEEDHN C#C[C@H](C)N(C)CCC(=O)NCc1ccccc1Cl ZINC000491496797 332223398 /nfs/dbraw/zinc/22/33/98/332223398.db2.gz TUNAYBCWKACETC-LBPRGKRZSA-N 0 3 278.783 2.300 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@H](C)c1ccccc1F ZINC000491635330 332256450 /nfs/dbraw/zinc/25/64/50/332256450.db2.gz STTSURUEJUWNDV-AWEZNQCLSA-N 0 3 290.382 2.391 20 30 CEEDHN C#CCNC(=O)CCN1CC(c2ccccc2)(C(C)C)C1 ZINC000491671103 332278298 /nfs/dbraw/zinc/27/82/98/332278298.db2.gz NFNHAJPQAACLPY-UHFFFAOYSA-N 0 3 284.403 2.036 20 30 CEEDHN C#C[C@@H](C)N(C)C[C@@H](O)COc1ccccc1CC=C ZINC000491748351 332325535 /nfs/dbraw/zinc/32/55/35/332325535.db2.gz DUOYJTPVVIHNGU-GDBMZVCRSA-N 0 3 273.376 2.108 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000491774104 332340067 /nfs/dbraw/zinc/34/00/67/332340067.db2.gz WQBWHPOHUXOBRU-HZPDHXFCSA-N 0 3 276.424 2.274 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000491784190 332347566 /nfs/dbraw/zinc/34/75/66/332347566.db2.gz SEMMJMISHMRIIW-HUUCEWRRSA-N 0 3 287.407 2.170 20 30 CEEDHN C#CCN(C[C@H]1CC2(CC2)C(=O)O1)C1CCCCC1 ZINC000491815282 332366495 /nfs/dbraw/zinc/36/64/95/332366495.db2.gz PELVOHUAYYZNCP-CQSZACIVSA-N 0 3 261.365 2.350 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(CC)C[C@H](C)CC ZINC000491819592 332369509 /nfs/dbraw/zinc/36/95/09/332369509.db2.gz OONJZMFBVUYOFL-CQSZACIVSA-N 0 3 267.417 2.019 20 30 CEEDHN CN(C)C/C=C\C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000491871501 332372978 /nfs/dbraw/zinc/37/29/78/332372978.db2.gz QQJXMYHKDNXREM-SCOBNMCVSA-N 0 3 277.755 2.139 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C\c2ccc(C)o2)CC1 ZINC000491902082 332374382 /nfs/dbraw/zinc/37/43/82/332374382.db2.gz BBKUKZVIJJYYPK-FPLPWBNLSA-N 0 3 286.375 2.205 20 30 CEEDHN C=C(Cl)CN[C@@H](C)C1CCN(C(=O)OC)CC1 ZINC000496037887 332536888 /nfs/dbraw/zinc/53/68/88/332536888.db2.gz ZGUKLRATVPBIGQ-JTQLQIEISA-N 0 3 260.765 2.195 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NC2CN(C(=O)OCc3ccccc3)C2)C1 ZINC000496585855 332553865 /nfs/dbraw/zinc/55/38/65/332553865.db2.gz RYMWFSBNFYLLOE-HUUCEWRRSA-N 0 3 299.374 2.289 20 30 CEEDHN N#CCCCN[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000496821714 332561269 /nfs/dbraw/zinc/56/12/69/332561269.db2.gz QFOSOCXCEPNXEP-OAHLLOKOSA-N 0 3 287.363 2.291 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](c2cccnc2)C1 ZINC000516766538 333082223 /nfs/dbraw/zinc/08/22/23/333082223.db2.gz MQOXDVBAEOLPFJ-WBVHZDCISA-N 0 3 299.418 2.460 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)Nc1ccccc1CNC ZINC000237154339 333377992 /nfs/dbraw/zinc/37/79/92/333377992.db2.gz LWJCZRYZVGAJRF-LBPRGKRZSA-N 0 3 262.353 2.326 20 30 CEEDHN C=CCN(CCc1ccco1)C(=O)CN1CC[C@H](C)C1 ZINC000576000701 335140408 /nfs/dbraw/zinc/14/04/08/335140408.db2.gz IQOOZLKMUFVISN-AWEZNQCLSA-N 0 3 276.380 2.179 20 30 CEEDHN N#CCCN(C(=O)CNC1(C2CC2)CC1)c1ccccc1 ZINC000542526263 333830935 /nfs/dbraw/zinc/83/09/35/333830935.db2.gz TXQOOLMORCYOTK-UHFFFAOYSA-N 0 3 283.375 2.465 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)NC1(C2CC2)CC1 ZINC000543452885 333876153 /nfs/dbraw/zinc/87/61/53/333876153.db2.gz YBSLWYZUPKWDNY-LBPRGKRZSA-N 0 3 250.386 2.332 20 30 CEEDHN CCN(CCC#N)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000133422707 334040659 /nfs/dbraw/zinc/04/06/59/334040659.db2.gz ZTWVHNORKDJVNM-AVGNSLFASA-N 0 3 251.374 2.010 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC(C)(C)C2)CC1 ZINC000135234469 334120550 /nfs/dbraw/zinc/12/05/50/334120550.db2.gz GLEQTCXTKVXYMR-OAHLLOKOSA-N 0 3 276.424 2.417 20 30 CEEDHN C=C(C)CN(Cc1ccccc1)CC1(CO)COC1 ZINC000548753139 334169686 /nfs/dbraw/zinc/16/96/86/334169686.db2.gz RAWCKFLLEVOATD-UHFFFAOYSA-N 0 3 261.365 2.074 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCSCC1 ZINC000089983873 334354848 /nfs/dbraw/zinc/35/48/48/334354848.db2.gz LHUVPNKKDJVRJU-CYBMUJFWSA-N 0 3 270.442 2.238 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C)[C@@H](OC)C1 ZINC000251925048 334372094 /nfs/dbraw/zinc/37/20/94/334372094.db2.gz SQMOLJSFSARZIS-KKUMJFAQSA-N 0 3 282.428 2.156 20 30 CEEDHN Cc1cccc(C)c1[C@H](C)NC[C@@H](O)CN(C)CCC#N ZINC000567710656 334754216 /nfs/dbraw/zinc/75/42/16/334754216.db2.gz PBQKJHIAODIJBZ-JKSUJKDBSA-N 0 3 289.423 2.160 20 30 CEEDHN C=CCn1cccc1C(=O)N1CCCC[C@H]1CN(C)C ZINC000568345562 334817230 /nfs/dbraw/zinc/81/72/30/334817230.db2.gz UKJGPVDZSIFQQQ-AWEZNQCLSA-N 0 3 275.396 2.230 20 30 CEEDHN CN(C)[C@@H](CNC[C@@H](C#N)CCC#N)Cc1ccccc1 ZINC000577484146 335357335 /nfs/dbraw/zinc/35/73/35/335357335.db2.gz GLOAQSZGJFWWPE-IAGOWNOFSA-N 0 3 284.407 2.192 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](CC)[C@H]1CCCO1 ZINC000182362340 335813367 /nfs/dbraw/zinc/81/33/67/335813367.db2.gz DJRRWFHNLJJGIN-SOUVJXGZSA-N 0 3 280.412 2.123 20 30 CEEDHN CCC[C@@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000337330944 520650487 /nfs/dbraw/zinc/65/04/87/520650487.db2.gz GZVMPZBOXAGUSD-CYBMUJFWSA-N 0 3 258.369 2.264 20 30 CEEDHN C=CC[C@H](CO)CNCc1c(OC)cc(F)cc1OC ZINC000631107146 500580444 /nfs/dbraw/zinc/58/04/44/500580444.db2.gz HFWOHXRNRGPLFK-NSHDSACASA-N 0 3 283.343 2.117 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000555332955 500676352 /nfs/dbraw/zinc/67/63/52/500676352.db2.gz SJEHNKKSGJLZDU-IJEWVQPXSA-N 0 3 283.375 2.464 20 30 CEEDHN COc1ccccc1C[C@@H]1CCCN1C(=O)C(C)C#N ZINC000347036468 534109808 /nfs/dbraw/zinc/10/98/08/534109808.db2.gz MBYRCQKUKVNDHL-OCCSQVGLSA-N 0 3 272.348 2.388 20 30 CEEDHN C[C@H]1[C@H](N2CCOCC2)CCN1Cc1ccc(CC#N)cc1 ZINC000351992457 534149770 /nfs/dbraw/zinc/14/97/70/534149770.db2.gz DFTYDDHWPKHFTA-MAUKXSAKSA-N 0 3 299.418 2.048 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(OC)cc1F ZINC000186689536 517338420 /nfs/dbraw/zinc/33/84/20/517338420.db2.gz MFZDBWSPDJOIIT-WDEREUQCSA-N 0 3 253.317 2.422 20 30 CEEDHN C#CCNC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000061227593 518280335 /nfs/dbraw/zinc/28/03/35/518280335.db2.gz TXHPVIYBYDHODB-OAHLLOKOSA-N 0 3 273.380 2.002 20 30 CEEDHN C=CCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000068564459 518902489 /nfs/dbraw/zinc/90/24/89/518902489.db2.gz ZAJNHBBXSPMVIY-UHFFFAOYSA-N 0 3 297.349 2.224 20 30 CEEDHN C=CC[C@H](CO)NCc1c[nH]c(-c2ccccc2)n1 ZINC000184267323 519116654 /nfs/dbraw/zinc/11/66/54/519116654.db2.gz MCUKGWAPRLHKSU-CYBMUJFWSA-N 0 3 257.337 2.103 20 30 CEEDHN C=CC[C@H](CO)NCc1cnc(-c2ccccc2)[nH]1 ZINC000184267323 519116660 /nfs/dbraw/zinc/11/66/60/519116660.db2.gz MCUKGWAPRLHKSU-CYBMUJFWSA-N 0 3 257.337 2.103 20 30 CEEDHN CN(C)C[C@@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000061644165 521836819 /nfs/dbraw/zinc/83/68/19/521836819.db2.gz IQPPFGIQJVOWMY-AWEZNQCLSA-N 0 3 261.344 2.223 20 30 CEEDHN C[C@H](CN1CCCCC1)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000050442465 524335016 /nfs/dbraw/zinc/33/50/16/524335016.db2.gz PEXKABREQXXBSF-LLVKDONJSA-N 0 3 289.339 2.148 20 30 CEEDHN CC#CCCNCc1ccc(Cl)cc1-n1cncn1 ZINC000354625405 526338224 /nfs/dbraw/zinc/33/82/24/526338224.db2.gz FSGJMSXMLFNODY-UHFFFAOYSA-N 0 3 274.755 2.424 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000352539811 526486797 /nfs/dbraw/zinc/48/67/97/526486797.db2.gz CXSVNRHOGBYSBV-UONOGXRCSA-N 0 3 267.417 2.467 20 30 CEEDHN N#Cc1cccc(NC(=O)CN2CCC[C@H]2C2CC2)c1 ZINC000363383761 526716209 /nfs/dbraw/zinc/71/62/09/526716209.db2.gz AJZLZGYRLMPKCI-HNNXBMFYSA-N 0 3 269.348 2.371 20 30 CEEDHN C=CCCOCCCCC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000352591295 527333154 /nfs/dbraw/zinc/33/31/54/527333154.db2.gz RJFAYIFKAGUPOI-HOTGVXAUSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344733912 527373828 /nfs/dbraw/zinc/37/38/28/527373828.db2.gz WHIUEBOGLBTIDF-GJZGRUSLSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344618691 527397460 /nfs/dbraw/zinc/39/74/60/527397460.db2.gz PPCVHVITKFIHML-KGLIPLIRSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccnc(OC)c1 ZINC000347640229 527457624 /nfs/dbraw/zinc/45/76/24/527457624.db2.gz LGPBWEWURJLTHB-DGCLKSJQSA-N 0 3 250.342 2.068 20 30 CEEDHN C=CCC[C@H](NCCC(=O)N(C)C)c1ccco1 ZINC000353405984 527484416 /nfs/dbraw/zinc/48/44/16/527484416.db2.gz STGXVXWAMKHVAH-LBPRGKRZSA-N 0 3 250.342 2.355 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C[C@@H]1CCOC1)C(C)C ZINC000351980495 527645776 /nfs/dbraw/zinc/64/57/76/527645776.db2.gz CVOSNCRDEQWPDA-HOTGVXAUSA-N 0 3 294.439 2.228 20 30 CEEDHN CC1(C)C[C@H](NCCOc2ccc(C#N)cc2)CO1 ZINC000417944551 527743290 /nfs/dbraw/zinc/74/32/90/527743290.db2.gz QDVZUEJCVOJKQC-ZDUSSCGKSA-N 0 3 260.337 2.094 20 30 CEEDHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)c1cccc(C#N)c1 ZINC000354981815 527775842 /nfs/dbraw/zinc/77/58/42/527775842.db2.gz LHAWWBYFMNYCSP-APHBMKBZSA-N 0 3 274.364 2.403 20 30 CEEDHN CCCN(C(=O)C(C)C#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000353775602 527777515 /nfs/dbraw/zinc/77/75/15/527777515.db2.gz FLHBWEROAMSXDO-OLZOCXBDSA-N 0 3 287.363 2.412 20 30 CEEDHN CCOc1cc(CCCNC(=O)C(C)C#N)ccc1OC ZINC000347107819 528258393 /nfs/dbraw/zinc/25/83/93/528258393.db2.gz KMKJCHAXEAIFRI-GFCCVEGCSA-N 0 3 290.363 2.302 20 30 CEEDHN CC(C)N(CCN1CCCCCC1)C(=O)CSCC#N ZINC000346012090 528902212 /nfs/dbraw/zinc/90/22/12/528902212.db2.gz QREVLYONSVJQOQ-UHFFFAOYSA-N 0 3 297.468 2.356 20 30 CEEDHN CC(C)[C@H](C(=O)N(C)C[C@@H](C)C#N)N1CCCCC1 ZINC000354740858 528909793 /nfs/dbraw/zinc/90/97/93/528909793.db2.gz XTMATDDOBMMTDI-UONOGXRCSA-N 0 3 265.401 2.115 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000333891404 529013388 /nfs/dbraw/zinc/01/33/88/529013388.db2.gz YVRNCJHVGHNZRO-KKUMJFAQSA-N 0 3 292.427 2.242 20 30 CEEDHN CN(C)[C@@H](CNc1nccnc1C#N)c1cccc(F)c1 ZINC000263930338 536132550 /nfs/dbraw/zinc/13/25/50/536132550.db2.gz WIHOWVQZJBGOGC-AWEZNQCLSA-N 0 3 285.326 2.202 20 30 CEEDHN C=CCN(C(=O)NCCN(CC)C1CC1)C(C)C ZINC000726280172 574425429 /nfs/dbraw/zinc/42/54/29/574425429.db2.gz RMXNGHNOSUAIMH-UHFFFAOYSA-N 0 3 253.390 2.077 20 30 CEEDHN N#CC(C(=O)CCNC(=O)C1CCCCC1)c1ccccn1 ZINC000726320000 574425472 /nfs/dbraw/zinc/42/54/72/574425472.db2.gz LVHIETGDQFQTOM-AWEZNQCLSA-N 0 3 299.374 2.344 20 30 CEEDHN Cn1cc(CC(=O)C(C#N)c2nc3ccccc3s2)cn1 ZINC000726318765 574425550 /nfs/dbraw/zinc/42/55/50/574425550.db2.gz QEHQNWAIBHNGEY-NSHDSACASA-N 0 3 296.355 2.449 20 30 CEEDHN C#Cc1ccc(C(=O)N2CCCN(C(C)(C)C)CC2)cn1 ZINC000728863205 574472803 /nfs/dbraw/zinc/47/28/03/574472803.db2.gz GNXSNQZBQYZKJW-UHFFFAOYSA-N 0 3 285.391 2.009 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)CCCc1ccc(C)s1 ZINC000751151135 575283442 /nfs/dbraw/zinc/28/34/42/575283442.db2.gz GKFHQYHGZFQIPJ-ZDUSSCGKSA-N 0 3 290.388 2.390 20 30 CEEDHN Cc1nc(Cl)cc(N=NC2CCN(C)[C@H](C)C2)n1 ZINC000741767302 574683642 /nfs/dbraw/zinc/68/36/42/574683642.db2.gz UQNIAFWNUMUGBL-MRVPVSSYSA-N 0 3 267.764 2.320 20 30 CEEDHN C=CCCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735413748 574756160 /nfs/dbraw/zinc/75/61/60/574756160.db2.gz ZBAIYVPXDZHDBU-UHFFFAOYSA-N 0 3 257.341 2.265 20 30 CEEDHN C=CCCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735413748 574756163 /nfs/dbraw/zinc/75/61/63/574756163.db2.gz ZBAIYVPXDZHDBU-UHFFFAOYSA-N 0 3 257.341 2.265 20 30 CEEDHN C=CCCC[N@@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735413748 574756166 /nfs/dbraw/zinc/75/61/66/574756166.db2.gz ZBAIYVPXDZHDBU-UHFFFAOYSA-N 0 3 257.341 2.265 20 30 CEEDHN C=CCCC[N@H+](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735413748 574756169 /nfs/dbraw/zinc/75/61/69/574756169.db2.gz ZBAIYVPXDZHDBU-UHFFFAOYSA-N 0 3 257.341 2.265 20 30 CEEDHN CCCCCCN(C)CC(=O)N[C@H](C#N)CCC ZINC000735653642 574763765 /nfs/dbraw/zinc/76/37/65/574763765.db2.gz QWNOMABXXUKCQJ-ZDUSSCGKSA-N 0 3 253.390 2.307 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C3CCOCC3)nc21 ZINC000735790621 574766622 /nfs/dbraw/zinc/76/66/22/574766622.db2.gz NZJBSCGRBLVQJI-LBPRGKRZSA-N 0 3 283.331 2.474 20 30 CEEDHN Cc1cccc2nc(C(C#N)C(=O)C3CCOCC3)[nH]c21 ZINC000735790621 574766623 /nfs/dbraw/zinc/76/66/23/574766623.db2.gz NZJBSCGRBLVQJI-LBPRGKRZSA-N 0 3 283.331 2.474 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000735854400 574769159 /nfs/dbraw/zinc/76/91/59/574769159.db2.gz OQTBASIFWWXXCJ-GFCCVEGCSA-N 0 3 289.404 2.016 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000736673359 574794424 /nfs/dbraw/zinc/79/44/24/574794424.db2.gz JBFYDBHAGKCXKU-TZMCWYRMSA-N 0 3 288.347 2.059 20 30 CEEDHN C=C(Cl)CNC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000737038148 574803280 /nfs/dbraw/zinc/80/32/80/574803280.db2.gz PMACPHTVIQOTMG-JQWIXIFHSA-N 0 3 273.808 2.159 20 30 CEEDHN FC(F)CNN=Cc1ccc(OCCN2CCCC2)cc1 ZINC000740617404 574961644 /nfs/dbraw/zinc/96/16/44/574961644.db2.gz IDCVQPZHFBOWJL-UHFFFAOYSA-N 0 3 297.349 2.350 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C/c2cccs2)CC1 ZINC000740737939 574967212 /nfs/dbraw/zinc/96/72/12/574967212.db2.gz NTSZJRRTWZEMRV-VOTSOKGWSA-N 0 3 288.416 2.365 20 30 CEEDHN C#CCCN1CCC(NC(=O)C[C@H](C)n2cccc2)CC1 ZINC000740748812 574967783 /nfs/dbraw/zinc/96/77/83/574967783.db2.gz ZUTWFBNSOXCIGH-HNNXBMFYSA-N 0 3 287.407 2.043 20 30 CEEDHN Cc1cc([O-])c(C[NH2+]C2CCN(CC#N)CC2)cc1C ZINC000742370240 575017344 /nfs/dbraw/zinc/01/73/44/575017344.db2.gz YFOIBXOHGKQXNP-UHFFFAOYSA-N 0 3 273.380 2.087 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC000742642226 575027828 /nfs/dbraw/zinc/02/78/28/575027828.db2.gz HAXORCYYSYELST-ZDUSSCGKSA-N 0 3 276.380 2.458 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)CC(C)(C)c1ccccc1 ZINC000743449034 575104314 /nfs/dbraw/zinc/10/43/14/575104314.db2.gz HEONPRPUNQQEID-AWEZNQCLSA-N 0 3 284.359 2.365 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H](CN(C)C)C(C)C ZINC000747889069 575176323 /nfs/dbraw/zinc/17/63/23/575176323.db2.gz UCTRTJKMWWVQMU-HNNXBMFYSA-N 0 3 273.380 2.183 20 30 CEEDHN CN(C[C@H]1CCOC1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000749968206 575242148 /nfs/dbraw/zinc/24/21/48/575242148.db2.gz WBRDXPFXIGGHIH-OAHLLOKOSA-N 0 3 296.374 2.348 20 30 CEEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2ncccn2)cc1 ZINC000750803197 575275395 /nfs/dbraw/zinc/27/53/95/575275395.db2.gz YKWXBLLTFYHKTD-CYBMUJFWSA-N 0 3 294.314 2.000 20 30 CEEDHN C#C[C@H](CC)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000753141199 575320472 /nfs/dbraw/zinc/32/04/72/575320472.db2.gz VJNNLGODODNYJX-SJORKVTESA-N 0 3 299.418 2.362 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2CCCC2)C1 ZINC000964624174 613022613 /nfs/dbraw/zinc/02/26/13/613022613.db2.gz QCXDZDJXNBDZFV-ZFWWWQNUSA-N 0 3 262.397 2.027 20 30 CEEDHN C=CC[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC000819743764 606963208 /nfs/dbraw/zinc/96/32/08/606963208.db2.gz PTMISBCGPZPBRT-UHFFFAOYSA-N 0 3 275.331 2.402 20 30 CEEDHN C=CC[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC000819743764 606963209 /nfs/dbraw/zinc/96/32/09/606963209.db2.gz PTMISBCGPZPBRT-UHFFFAOYSA-N 0 3 275.331 2.402 20 30 CEEDHN C=CC[N@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC000819743764 606963210 /nfs/dbraw/zinc/96/32/10/606963210.db2.gz PTMISBCGPZPBRT-UHFFFAOYSA-N 0 3 275.331 2.402 20 30 CEEDHN C=CC[N@@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC000819743764 606963211 /nfs/dbraw/zinc/96/32/11/606963211.db2.gz PTMISBCGPZPBRT-UHFFFAOYSA-N 0 3 275.331 2.402 20 30 CEEDHN C=CC[N@H+](Cc1cn2ccccc2c1-c1nnn[n-]1)C1CC1 ZINC000823919597 608266576 /nfs/dbraw/zinc/26/65/76/608266576.db2.gz LHJKIQQOEYONLB-UHFFFAOYSA-N 0 3 294.362 2.270 20 30 CEEDHN C=CC[N@@H+](Cc1cn2ccccc2c1-c1nnn[n-]1)C1CC1 ZINC000823919597 608266577 /nfs/dbraw/zinc/26/65/77/608266577.db2.gz LHJKIQQOEYONLB-UHFFFAOYSA-N 0 3 294.362 2.270 20 30 CEEDHN C=CC[N@H+](Cc1cn2ccccc2c1-c1nn[n-]n1)C1CC1 ZINC000823919597 608266578 /nfs/dbraw/zinc/26/65/78/608266578.db2.gz LHJKIQQOEYONLB-UHFFFAOYSA-N 0 3 294.362 2.270 20 30 CEEDHN C=CC[N@@H+](Cc1cn2ccccc2c1-c1nn[n-]n1)C1CC1 ZINC000823919597 608266579 /nfs/dbraw/zinc/26/65/79/608266579.db2.gz LHJKIQQOEYONLB-UHFFFAOYSA-N 0 3 294.362 2.270 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC000970157127 612961877 /nfs/dbraw/zinc/96/18/77/612961877.db2.gz GGNVOGFFKXKCBV-GOEBONIOSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](CC)Cc2cccc(C)c2)C1 ZINC000970186461 612962456 /nfs/dbraw/zinc/96/24/56/612962456.db2.gz QINBMDVIXKVUQC-ZWKOTPCHSA-N 0 3 298.430 2.387 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000970640493 612965827 /nfs/dbraw/zinc/96/58/27/612965827.db2.gz QUBVGMSQBDTADQ-QGZVFWFLSA-N 0 3 282.387 2.003 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC000970199385 612993906 /nfs/dbraw/zinc/99/39/06/612993906.db2.gz SYSXVZCSXTWPNM-LVQVYYBASA-N 0 3 288.435 2.273 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000970768969 612994164 /nfs/dbraw/zinc/99/41/64/612994164.db2.gz LHCNWSJJSJZAFJ-RBSFLKMASA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(C=C)cc2)C1 ZINC000970472617 612995207 /nfs/dbraw/zinc/99/52/07/612995207.db2.gz FMNMPUGXTSOSKJ-CQSZACIVSA-N 0 3 282.387 2.403 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cccc3cc[nH]c32)C1 ZINC000970460301 612995574 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CC#CCN1CC[C@H](NC(=O)c2cc(C)nc(C)c2)[C@@H](C)C1 ZINC000942084313 613601153 /nfs/dbraw/zinc/60/11/53/613601153.db2.gz QTURPALIWWIOQI-GUYCJALGSA-N 0 3 299.418 2.162 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(CC)ccn2)[C@H](C)C1 ZINC000942075798 613601256 /nfs/dbraw/zinc/60/12/56/613601256.db2.gz HGBBBRCIAJHZGG-ZBFHGGJFSA-N 0 3 299.418 2.108 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000946932746 613602577 /nfs/dbraw/zinc/60/25/77/613602577.db2.gz MGHNNHIJMOVBQP-BBRMVZONSA-N 0 3 288.366 2.432 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC000971651154 613614969 /nfs/dbraw/zinc/61/49/69/613614969.db2.gz GYCNYDPWNOHOAK-VXGBXAGGSA-N 0 3 272.339 2.141 20 30 CEEDHN CC#CCN1C[C@]2(C)CN(C(=O)[C@H](F)C(C)C)C[C@]2(C)C1 ZINC000982442937 613617604 /nfs/dbraw/zinc/61/76/04/613617604.db2.gz LLFOVCVFRMTJOE-OIISXLGYSA-N 0 3 294.414 2.174 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)C(C)(C)C(=C)C)C1 ZINC000972068371 613626344 /nfs/dbraw/zinc/62/63/44/613626344.db2.gz 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291.395 2.426 20 30 CEEDHN C#Cc1cncc(C(=O)NC[C@@H]2CCCCN2CC(=C)C)c1 ZINC001024643351 625736481 /nfs/dbraw/zinc/73/64/81/625736481.db2.gz ADYJKJKQYIBCRI-KRWDZBQOSA-N 0 3 297.402 2.223 20 30 CEEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001024646488 625738559 /nfs/dbraw/zinc/73/85/59/625738559.db2.gz ZTKIEDRVKBXIIT-HNNXBMFYSA-N 0 3 274.408 2.171 20 30 CEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001024667529 625743612 /nfs/dbraw/zinc/74/36/12/625743612.db2.gz LIALKYVKXHQVJV-JJXSEGSLSA-N 0 3 292.423 2.101 20 30 CEEDHN C#C[C@@H](NC(=O)N(CCC)[C@@H]1CCN(C)C1)c1ccccc1 ZINC000820585245 634461258 /nfs/dbraw/zinc/46/12/58/634461258.db2.gz WBYXLFQCZDHILR-IAGOWNOFSA-N 0 3 299.418 2.487 20 30 CEEDHN Cn1cc(CCC(=O)C(C#N)c2nc3ccccc3o2)cn1 ZINC000066516579 625930932 /nfs/dbraw/zinc/93/09/32/625930932.db2.gz UNCSMDFGNPHOEA-LBPRGKRZSA-N 0 3 294.314 2.370 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(CCCC)CC1 ZINC000820688724 634504875 /nfs/dbraw/zinc/50/48/75/634504875.db2.gz 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629138594 /nfs/dbraw/zinc/13/85/94/629138594.db2.gz ZNGUXKPJORGDMB-GFCCVEGCSA-N 0 3 272.348 2.404 20 30 CEEDHN COC(=O)[C@@H]1[C@H](CN[C@H](C)c2ccc(C#N)cc2)C1(F)F ZINC000894164959 629179707 /nfs/dbraw/zinc/17/97/07/629179707.db2.gz LPXUUNDNCLHBJZ-ICCXJUOJSA-N 0 3 294.301 2.263 20 30 CEEDHN C#CCCCNCc1sc(N2CCOCC2)nc1Cl ZINC000894313540 629345017 /nfs/dbraw/zinc/34/50/17/629345017.db2.gz UVFMWIYLLLQBHO-UHFFFAOYSA-N 0 3 299.827 2.136 20 30 CEEDHN CCCNN=Cc1c(C)nn(-c2ccccc2)c1N ZINC000794894109 629350542 /nfs/dbraw/zinc/35/05/42/629350542.db2.gz DICODUHLSDAKJY-UHFFFAOYSA-N 0 3 257.341 2.096 20 30 CEEDHN CC(C)C[C@H](CO)N(C)Cc1csc(C#N)c1 ZINC000894497184 629491943 /nfs/dbraw/zinc/49/19/43/629491943.db2.gz VIHIVNJVSYMECQ-GFCCVEGCSA-N 0 3 252.383 2.459 20 30 CEEDHN N#Cc1ccc(CNCCO[C@H]2CCCCO2)s1 ZINC000894799902 629647725 /nfs/dbraw/zinc/64/77/25/629647725.db2.gz PWXPRPIHIABRAD-ZDUSSCGKSA-N 0 3 266.366 2.253 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccsc1C(=O)OC ZINC000895005539 629789080 /nfs/dbraw/zinc/78/90/80/629789080.db2.gz FFRJAUJWEKSQCU-JQWIXIFHSA-N 0 3 281.377 2.215 20 30 CEEDHN C=CCN(CCC1OCCO1)Cc1cccs1 ZINC000123594767 629801220 /nfs/dbraw/zinc/80/12/20/629801220.db2.gz XUQZWXKQJMJTJA-UHFFFAOYSA-N 0 3 253.367 2.499 20 30 CEEDHN CC(=O)OC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000178981131 629879955 /nfs/dbraw/zinc/87/99/55/629879955.db2.gz DRACOJGBJLMOLA-UHFFFAOYSA-N 0 3 258.321 2.086 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc(CC(C)C)nc1 ZINC000895132854 629940452 /nfs/dbraw/zinc/94/04/52/629940452.db2.gz ZCMDMMMHQFNKMM-MRXNPFEDSA-N 0 3 260.381 2.144 20 30 CEEDHN CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CCCN([O-])C2=O)CC1 ZINC000895157926 629974460 /nfs/dbraw/zinc/97/44/60/629974460.db2.gz UIPYOAVRVNTJOB-BFHYXJOUSA-N 0 3 266.385 2.481 20 30 CEEDHN O=C1[C@@H]([NH2+][C@H]2CCCC23CCCC3)CCCN1[O-] ZINC000895159438 629976756 /nfs/dbraw/zinc/97/67/56/629976756.db2.gz VUVCILBDVBIDJV-RYUDHWBXSA-N 0 3 252.358 2.069 20 30 CEEDHN O=C1[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CCCN1[O-] ZINC000895160254 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CCc1ccc(NC(=O)C(C#N)C(=O)COC(F)F)cc1 ZINC000796796339 630010300 /nfs/dbraw/zinc/01/03/00/630010300.db2.gz CINZEAIXYQBYOO-NSHDSACASA-N 0 3 296.273 2.136 20 30 CEEDHN C#C[C@H]1CCCN(Cc2cccc3[nH]c(=O)oc32)C1 ZINC000895201779 630030890 /nfs/dbraw/zinc/03/08/90/630030890.db2.gz FYNINJNQGHMEIG-NSHDSACASA-N 0 3 256.305 2.379 20 30 CEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCC(F)F)c1 ZINC000796886070 630052416 /nfs/dbraw/zinc/05/24/16/630052416.db2.gz XAUJOMZJRSBGOF-LBPRGKRZSA-N 0 3 294.301 2.365 20 30 CEEDHN CC1=NO[C@H](CNCc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000895309913 630099071 /nfs/dbraw/zinc/09/90/71/630099071.db2.gz XBTFYBNPQNMOOU-WFASDCNBSA-N 0 3 273.336 2.232 20 30 CEEDHN C#CC1(O)CCN(Cc2ccc(OCC3CC3)cc2)CC1 ZINC000895383685 630154015 /nfs/dbraw/zinc/15/40/15/630154015.db2.gz ABFJWYWFBZAPNC-UHFFFAOYSA-N 0 3 285.387 2.436 20 30 CEEDHN COc1ccc(C2=NO[C@H](CN[C@@H]3CC[C@H](C#N)C3)C2)cc1 ZINC000895496600 630224343 /nfs/dbraw/zinc/22/43/43/630224343.db2.gz SWIILMHMVVJYIS-BJJXKVORSA-N 0 3 299.374 2.470 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)c1cc(C#N)ccc1F ZINC000821831258 634801074 /nfs/dbraw/zinc/80/10/74/634801074.db2.gz YHDJLOAXFBLEJE-GFCCVEGCSA-N 0 3 289.354 2.302 20 30 CEEDHN C[C@@H](CNC(=O)c1[nH]c2ccccc2c1C#N)N1CCCC1 ZINC000895684540 630306621 /nfs/dbraw/zinc/30/66/21/630306621.db2.gz DRPQPEGCRNVIMU-LBPRGKRZSA-N 0 3 296.374 2.254 20 30 CEEDHN C#CCCCOc1cccnc1N[C@H]1CCN(C)[C@@H]1C ZINC000895737290 630326169 /nfs/dbraw/zinc/32/61/69/630326169.db2.gz PIGPMWFILQXYPM-KGLIPLIRSA-N 0 3 273.380 2.378 20 30 CEEDHN N#Cc1csc(CN2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000895779114 630342509 /nfs/dbraw/zinc/34/25/09/630342509.db2.gz JUUAAOXKOKBLRQ-PHIMTYICSA-N 0 3 250.392 2.415 20 30 CEEDHN COc1ccc(F)cc1CCNCc1cccc(C#N)n1 ZINC000895804172 630355370 /nfs/dbraw/zinc/35/53/70/630355370.db2.gz IBALJVUKZKDIKI-UHFFFAOYSA-N 0 3 285.322 2.433 20 30 CEEDHN N#Cc1ccc2ncc(CN3CC[C@@H]([C@H]4CCCO4)C3)n2c1 ZINC000895843954 630367494 /nfs/dbraw/zinc/36/74/94/630367494.db2.gz KLZHJRFDYIFRLJ-GDBMZVCRSA-N 0 3 296.374 2.207 20 30 CEEDHN C=CCC1(O)CCN(Cc2c(C)nn(CC)c2C)CC1 ZINC000895835277 630371784 /nfs/dbraw/zinc/37/17/84/630371784.db2.gz CMZBVLDOOHURRR-UHFFFAOYSA-N 0 3 277.412 2.423 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccc(C(F)F)c(F)c1 ZINC000895962701 630415675 /nfs/dbraw/zinc/41/56/75/630415675.db2.gz AVYGWCNBTGYTNG-JTQLQIEISA-N 0 3 257.255 2.237 20 30 CEEDHN C[C@@H]1C[C@@]2(CC[C@@H](CNCC#Cc3ccccc3)O2)CO1 ZINC000896055698 630450405 /nfs/dbraw/zinc/45/04/05/630450405.db2.gz XKVZLUYDZIQYPC-NJAFHUGGSA-N 0 3 285.387 2.354 20 30 CEEDHN CCN1CCCN(C(=O)c2cccc(C#N)c2)[C@H](C)C1 ZINC000320270958 630492817 /nfs/dbraw/zinc/49/28/17/630492817.db2.gz UBRPLHABBLDKDH-CYBMUJFWSA-N 0 3 271.364 2.115 20 30 CEEDHN C=C1CCC(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000896899437 630771836 /nfs/dbraw/zinc/77/18/36/630771836.db2.gz RUXJWHKSUIEJNM-OCCSQVGLSA-N 0 3 262.397 2.474 20 30 CEEDHN Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1C#N ZINC000799680199 631061307 /nfs/dbraw/zinc/06/13/07/631061307.db2.gz JTYCZIIBEAPOON-SWLSCSKDSA-N 0 3 283.375 2.222 20 30 CEEDHN C#CCCN[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000800505966 631131513 /nfs/dbraw/zinc/13/15/13/631131513.db2.gz POYIFROEJCQBKI-INIZCTEOSA-N 0 3 266.344 2.203 20 30 CEEDHN CCC(=O)N1CC[C@H](NCc2ccc(C#N)c(F)c2)[C@H]1C ZINC000985844114 631187915 /nfs/dbraw/zinc/18/79/15/631187915.db2.gz ITLFXRSUXCETPH-ABAIWWIYSA-N 0 3 289.354 2.186 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccccc2O)[C@H]1C ZINC000985989646 631199333 /nfs/dbraw/zinc/19/93/33/631199333.db2.gz XCURZZUSGGALHH-WCQYABFASA-N 0 3 294.782 2.337 20 30 CEEDHN COc1ccc(CN(C)CCO[C@@H](C)C#N)cc1F ZINC000801910682 631349717 /nfs/dbraw/zinc/34/97/17/631349717.db2.gz PKRKENQDVNMNMH-NSHDSACASA-N 0 3 266.316 2.195 20 30 CEEDHN COc1ccc(F)cc1[C@H](C)NCCO[C@H](C)C#N ZINC000801937134 631362850 /nfs/dbraw/zinc/36/28/50/631362850.db2.gz FGPBHENFKFDOOO-MNOVXSKESA-N 0 3 266.316 2.414 20 30 CEEDHN C[C@H](C#N)OCCN1CC[C@H](Oc2cccc(F)c2)C1 ZINC000801940038 631365435 /nfs/dbraw/zinc/36/54/35/631365435.db2.gz XPVSRVMYZXEDLA-DOMZBBRYSA-N 0 3 278.327 2.207 20 30 CEEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc[nH]2)nc(C)n1 ZINC000802037955 631377220 /nfs/dbraw/zinc/37/72/20/631377220.db2.gz DCCYYLBCGACAPX-GFUIURDCSA-N 0 3 266.304 2.311 20 30 CEEDHN C=CCN1CCN(CN(CC)[C@H](C)C(C)C)C1=O ZINC000839975203 631443199 /nfs/dbraw/zinc/44/31/99/631443199.db2.gz HQDDPHSAFVKLAA-CYBMUJFWSA-N 0 3 253.390 2.234 20 30 CEEDHN CC(C)C(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC000988136107 631484341 /nfs/dbraw/zinc/48/43/41/631484341.db2.gz SPPDAYLTKHGUSY-VXGBXAGGSA-N 0 3 291.420 2.355 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2sc(C)cc2C)C1 ZINC000988899050 631707017 /nfs/dbraw/zinc/70/70/17/631707017.db2.gz NNZUNFHQKBAZKM-DGCLKSJQSA-N 0 3 276.405 2.191 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc3cccnc32)C1 ZINC000989116036 631728394 /nfs/dbraw/zinc/72/83/94/631728394.db2.gz VTRCCGVUPPFWQK-UKRRQHHQSA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(-c3ccco3)o2)C1 ZINC000989157586 631737852 /nfs/dbraw/zinc/73/78/52/631737852.db2.gz 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/nfs/dbraw/zinc/12/71/63/632127163.db2.gz NYWQXYIOSPOSKC-CZUORRHYSA-N 0 3 259.349 2.356 20 30 CEEDHN C=CCCC[N@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810070925 632176181 /nfs/dbraw/zinc/17/61/81/632176181.db2.gz ULJAWXMKJVYSFG-LLVKDONJSA-N 0 3 278.318 2.343 20 30 CEEDHN C=CCCC[N@@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810070925 632176184 /nfs/dbraw/zinc/17/61/84/632176184.db2.gz ULJAWXMKJVYSFG-LLVKDONJSA-N 0 3 278.318 2.343 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)C2CCC(F)(F)CC2)C1 ZINC000989484576 632184983 /nfs/dbraw/zinc/18/49/83/632184983.db2.gz FOQFYHBBYMEYBU-DGCLKSJQSA-N 0 3 284.350 2.024 20 30 CEEDHN C#CCOCCN[C@H](COC)c1cccc(Cl)c1 ZINC000810238093 632197012 /nfs/dbraw/zinc/19/70/12/632197012.db2.gz YCTQWSUPKSNIKH-CQSZACIVSA-N 0 3 267.756 2.267 20 30 CEEDHN Cc1ccc(CCC(=O)C(C#N)C(=O)NC(C)C)s1 ZINC000810533555 632223659 /nfs/dbraw/zinc/22/36/59/632223659.db2.gz OQYGCSRFCQYHCE-LBPRGKRZSA-N 0 3 278.377 2.223 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(CC)c(CC)o2)C1 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C#CCC[N@@H+]1CC[C@]2(NC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC000989961000 632290389 /nfs/dbraw/zinc/29/03/89/632290389.db2.gz PTXAOTUXNBWFTL-SJLPKXTDSA-N 0 3 298.386 2.142 20 30 CEEDHN C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC000989961000 632290393 /nfs/dbraw/zinc/29/03/93/632290393.db2.gz PTXAOTUXNBWFTL-SJLPKXTDSA-N 0 3 298.386 2.142 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3cncc(C)c3)CCC[C@@H]12 ZINC000990119698 632317720 /nfs/dbraw/zinc/31/77/20/632317720.db2.gz DQEGQEIJKUZKNT-NVXWUHKLSA-N 0 3 285.391 2.303 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3csnc3C)CCC[C@@H]12 ZINC000990291654 632334995 /nfs/dbraw/zinc/33/49/95/632334995.db2.gz ZZGVEOQULRXTRI-HIFRSBDPSA-N 0 3 291.420 2.364 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(F)cn3)CCC[C@H]12 ZINC000990325777 632336030 /nfs/dbraw/zinc/33/60/30/632336030.db2.gz HHYXBSSTVZFCRU-GOEBONIOSA-N 0 3 289.354 2.134 20 30 CEEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1cnn(C)n1)C(C)C ZINC000924642832 632383289 /nfs/dbraw/zinc/38/32/89/632383289.db2.gz JEACZBGIHBZSLU-GOEBONIOSA-N 0 3 291.443 2.164 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000898440874 632499672 /nfs/dbraw/zinc/49/96/72/632499672.db2.gz YXWLMHQWVPKEHW-IRXDYDNUSA-N 0 3 282.387 2.415 20 30 CEEDHN COC[C@H](C)[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000813059578 632612684 /nfs/dbraw/zinc/61/26/84/632612684.db2.gz CFFHZBUYDUEIKG-SCRDCRAPSA-N 0 3 288.347 2.253 20 30 CEEDHN CCC[C@@H](C#N)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000813096538 632620288 /nfs/dbraw/zinc/62/02/88/632620288.db2.gz PBFUQWQCGGVBGU-SMDDNHRTSA-N 0 3 269.364 2.007 20 30 CEEDHN C[C@@H](NCCNc1ccc(C#N)cn1)c1ccoc1 ZINC000927163567 632693366 /nfs/dbraw/zinc/69/33/66/632693366.db2.gz FEKZELWUARQYGU-LLVKDONJSA-N 0 3 256.309 2.309 20 30 CEEDHN C#CC1(NC(=O)CN(C)CC(C)(C)C)CCCC1 ZINC000899224899 632751347 /nfs/dbraw/zinc/75/13/47/632751347.db2.gz VOELMOLXJHZEHX-UHFFFAOYSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)CCC[C@@H]12 ZINC000990786221 632861759 /nfs/dbraw/zinc/86/17/59/632861759.db2.gz BFDNEAWDMAQARX-MUDKKEKZSA-N 0 3 298.430 2.335 20 30 CEEDHN C[C@H](CNC(=O)c1cscc1C#N)N1CCCCC1 ZINC000814588764 632867465 /nfs/dbraw/zinc/86/74/65/632867465.db2.gz FSQJEFGDOIZQRU-LLVKDONJSA-N 0 3 277.393 2.224 20 30 CEEDHN Cc1sccc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000814885772 632914301 /nfs/dbraw/zinc/91/43/01/632914301.db2.gz JOAUNNDQIBFBPR-VXGBXAGGSA-N 0 3 262.382 2.250 20 30 CEEDHN C[C@H](O)CNN=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000814959844 632940787 /nfs/dbraw/zinc/94/07/87/632940787.db2.gz LPFDHISFHCWXCQ-GOVYBVIMSA-N 0 3 273.380 2.254 20 30 CEEDHN COc1ccc(F)cc1[C@@H](C)NCCOCCC#N ZINC000815081395 632956560 /nfs/dbraw/zinc/95/65/60/632956560.db2.gz CKGYQZAKIARPMH-LLVKDONJSA-N 0 3 266.316 2.415 20 30 CEEDHN CCCN(Cc1ccccc1O)C(=O)[C@H](N)CCCC#N ZINC000818103254 633868761 /nfs/dbraw/zinc/86/87/61/633868761.db2.gz QPGSJOQZCUKPPK-CQSZACIVSA-N 0 3 289.379 2.152 20 30 CEEDHN C[C@H](c1ccccc1)[C@H](O)CNCc1ccc(C#N)cn1 ZINC000819310483 634134129 /nfs/dbraw/zinc/13/41/29/634134129.db2.gz BBDZESAHXMDAHO-CXAGYDPISA-N 0 3 281.359 2.207 20 30 CEEDHN C[C@H](N[C@H]1CCCc2cn[nH]c21)c1cc(C#N)ccn1 ZINC000902882082 634877310 /nfs/dbraw/zinc/87/73/10/634877310.db2.gz UCEUCADLARUZMO-GWCFXTLKSA-N 0 3 267.336 2.405 20 30 CEEDHN CC[C@@H](NCC1(C#N)CC1)C1(C(=O)OC)CCC1 ZINC000903106476 634972644 /nfs/dbraw/zinc/97/26/44/634972644.db2.gz RDUSDCJGYYMUQQ-LLVKDONJSA-N 0 3 250.342 2.002 20 30 CEEDHN C#C[C@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccccc1 ZINC000823469644 635189144 /nfs/dbraw/zinc/18/91/44/635189144.db2.gz FHHZRRFTPLDHEM-JKSUJKDBSA-N 0 3 270.376 2.350 20 30 CEEDHN C#Cc1ccc(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000825123847 635573835 /nfs/dbraw/zinc/57/38/35/635573835.db2.gz DFRAPTXDAMVFLM-ZIAGYGMSSA-N 0 3 283.293 2.413 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccnc(Cl)c1F ZINC000825172243 635583861 /nfs/dbraw/zinc/58/38/61/635583861.db2.gz MKWMQLCBTDJCND-SNVBAGLBSA-N 0 3 258.724 2.291 20 30 CEEDHN C#CC1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000825551200 635661514 /nfs/dbraw/zinc/66/15/14/635661514.db2.gz FWWFCFGAPMXPSL-KRWDZBQOSA-N 0 3 299.418 2.344 20 30 CEEDHN CC1/C(=C\c2c[nH]c(C(F)(F)F)c2)C(=O)c2ncnn21 ZINC000905083168 635798320 /nfs/dbraw/zinc/79/83/20/635798320.db2.gz CBEKOUYRCLKAMD-ONJTYKPQSA-N 0 3 282.225 2.466 20 30 CEEDHN COc1cc(/C=C2/C(=O)c3ncnn3C2C)ccc1C ZINC000905085035 635799683 /nfs/dbraw/zinc/79/96/83/635799683.db2.gz LNINDVZYQBPRCY-HAAVITCDSA-N 0 3 269.304 2.436 20 30 CEEDHN CC[C@H](C#N)Oc1cccc(CNC[C@@](C)(O)C(F)F)c1 ZINC000905118536 635825487 /nfs/dbraw/zinc/82/54/87/635825487.db2.gz WSUUUESBZWEQKE-IUODEOHRSA-N 0 3 298.333 2.473 20 30 CEEDHN C#Cc1cnc(NC[C@@H](c2cccs2)N(C)C)nc1 ZINC000827294765 636283892 /nfs/dbraw/zinc/28/38/92/636283892.db2.gz PSLCHAOJMOLDSB-LBPRGKRZSA-N 0 3 272.377 2.234 20 30 CEEDHN N#Cc1ccc(-c2cnc([C@@H]3CCCN3)nc2)cc1 ZINC000906164950 636628520 /nfs/dbraw/zinc/62/85/20/636628520.db2.gz OFZOAJFTVVJUHA-AWEZNQCLSA-N 0 3 250.305 2.440 20 30 CEEDHN C#CCN(CCCCCC(=O)OCC)C1CSC1 ZINC000878910216 651208106 /nfs/dbraw/zinc/20/81/06/651208106.db2.gz IWTADZKGCXHVCU-UHFFFAOYSA-N 0 3 269.410 2.161 20 30 CEEDHN CN1CCCc2cc(NC(=O)[C@H](N)CCCC#N)ccc21 ZINC000829162302 636792763 /nfs/dbraw/zinc/79/27/63/636792763.db2.gz HPHBECKHBIAEPG-CQSZACIVSA-N 0 3 286.379 2.029 20 30 CEEDHN C#CC[C@H]1CCCN(CC(=O)N2CCCC[C@@H]2C)C1 ZINC000829774284 636926437 /nfs/dbraw/zinc/92/64/37/636926437.db2.gz OPDSAOOXNXYVOL-GJZGRUSLSA-N 0 3 262.397 2.123 20 30 CEEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)NCCc2ccccc2)C1 ZINC000829775040 636927601 /nfs/dbraw/zinc/92/76/01/636927601.db2.gz XMMYCLWWIMEAAX-SJLPKXTDSA-N 0 3 298.430 2.469 20 30 CEEDHN C#CC[C@@H]1CCCN(Cc2cc(=O)n3cc(C)ccc3n2)C1 ZINC000829788649 636930125 /nfs/dbraw/zinc/93/01/25/636930125.db2.gz CGYGTXMSENWAMR-OAHLLOKOSA-N 0 3 295.386 2.238 20 30 CEEDHN C#CC[C@H]1CCCN([C@@H](CC(C)C)C(=O)OC)C1 ZINC000829815868 636937859 /nfs/dbraw/zinc/93/78/59/636937859.db2.gz VBUPQJJEZRBTNB-KBPBESRZSA-N 0 3 251.370 2.309 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)CCN2 ZINC000876515842 650299449 /nfs/dbraw/zinc/29/94/49/650299449.db2.gz YJXUYVRYSIAYET-LLVKDONJSA-N 0 3 265.744 2.063 20 30 CEEDHN C#C[C@@H](CC)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000907714225 637096703 /nfs/dbraw/zinc/09/67/03/637096703.db2.gz IIAUQCSGDSPSNA-ZDUSSCGKSA-N 0 3 269.348 2.432 20 30 CEEDHN C#CCCCCCCN1CCN(C[C@H]2CCCO2)CC1 ZINC000876542377 650313921 /nfs/dbraw/zinc/31/39/21/650313921.db2.gz UPSUQOWFZHBVAO-QGZVFWFLSA-N 0 3 278.440 2.367 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(OC)cc1 ZINC000876552140 650321856 /nfs/dbraw/zinc/32/18/56/650321856.db2.gz KOWQIDNZGURGQU-ZDUSSCGKSA-N 0 3 282.771 2.124 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccsc1 ZINC000876565436 650333323 /nfs/dbraw/zinc/33/33/23/650333323.db2.gz UTIIBUVDLOYOGE-JTQLQIEISA-N 0 3 258.774 2.176 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000876572423 650337162 /nfs/dbraw/zinc/33/71/62/650337162.db2.gz XKWBEANCOFHQGW-MWLCHTKSSA-N 0 3 296.754 2.062 20 30 CEEDHN C[C@H](NC(=O)c1cc(C#N)ccc1F)C1=CCN(C)CC1 ZINC000831937117 637465520 /nfs/dbraw/zinc/46/55/20/637465520.db2.gz QOWXSJDECKRNDS-NSHDSACASA-N 0 3 287.338 2.078 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000876581036 650345358 /nfs/dbraw/zinc/34/53/58/650345358.db2.gz XLHXODZIPBBOMI-RWMBFGLXSA-N 0 3 264.756 2.129 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)COc1cccc(C)c1 ZINC000876611302 650359298 /nfs/dbraw/zinc/35/92/98/650359298.db2.gz WZPMVECYUCRJPZ-OCCSQVGLSA-N 0 3 296.798 2.348 20 30 CEEDHN Nc1ccc2c(c1)CCCC2=NNCCN1CCCCC1 ZINC000834942917 637995441 /nfs/dbraw/zinc/99/54/41/637995441.db2.gz OFQZLFXWVLIIMG-UHFFFAOYSA-N 0 3 286.423 2.385 20 30 CEEDHN COC[C@@H](C)NN=C/C=C/c1ccc(N(C)C)cc1 ZINC000834970961 638004402 /nfs/dbraw/zinc/00/44/02/638004402.db2.gz RVZZAJYRHKWSCS-WFZOZMPMSA-N 0 3 261.369 2.376 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)c1c(C)nn(C)c1C ZINC000876690179 650401593 /nfs/dbraw/zinc/40/15/93/650401593.db2.gz GTMFEAFUKLSQLZ-NEPJUHHUSA-N 0 3 298.818 2.074 20 30 CEEDHN CC(C)(C(=O)N[C@@H]1CC[C@H](C#N)C1)N1CCCCC1 ZINC000911288209 638273585 /nfs/dbraw/zinc/27/35/85/638273585.db2.gz LVFJUYODEGXCPU-QWHCGFSZSA-N 0 3 263.385 2.059 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccn1)C(C)C ZINC000876731295 650412615 /nfs/dbraw/zinc/41/26/15/650412615.db2.gz HKKGUVBHYNJQFW-CYBMUJFWSA-N 0 3 281.787 2.289 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(C(=O)OC)c1 ZINC000911989112 638509727 /nfs/dbraw/zinc/50/97/27/638509727.db2.gz DVWKHCXDFXZFDV-ZDUSSCGKSA-N 0 3 276.336 2.095 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000912038990 638522202 /nfs/dbraw/zinc/52/22/02/638522202.db2.gz AAFZICPPSSOGRQ-CQSZACIVSA-N 0 3 289.379 2.011 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1ccccc1OCC ZINC000912238352 638611450 /nfs/dbraw/zinc/61/14/50/638611450.db2.gz XFBVXIQAYFVCIK-AWEZNQCLSA-N 0 3 276.380 2.385 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1cc(OC)ccc1OC ZINC000912219966 638614662 /nfs/dbraw/zinc/61/46/62/638614662.db2.gz CNXWFVAQHBOOLQ-AWEZNQCLSA-N 0 3 292.379 2.004 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CCCC[C@@H]1C ZINC000836488822 638647840 /nfs/dbraw/zinc/64/78/40/638647840.db2.gz RKPWQRFOOMFFKB-LSDHHAIUSA-N 0 3 279.428 2.067 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H](CC)C1CCCC1 ZINC000836491284 638649579 /nfs/dbraw/zinc/64/95/79/638649579.db2.gz OTYFJHOSYIALTJ-OAHLLOKOSA-N 0 3 279.428 2.210 20 30 CEEDHN N#CCC1CN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000912397110 638679028 /nfs/dbraw/zinc/67/90/28/638679028.db2.gz BRAMQJIMSSGJSG-UHFFFAOYSA-N 0 3 282.347 2.276 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCCSC(C)(C)C ZINC000912437497 638686265 /nfs/dbraw/zinc/68/62/65/638686265.db2.gz ANQGDLYSZLYDTB-LLVKDONJSA-N 0 3 258.431 2.318 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000836879168 638734078 /nfs/dbraw/zinc/73/40/78/638734078.db2.gz JKVBOMXMEMYLKJ-DVOMOZLQSA-N 0 3 298.402 2.049 20 30 CEEDHN CCC(C#N)(CC)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000876847142 650457288 /nfs/dbraw/zinc/45/72/88/650457288.db2.gz WKHXAIJOHQSCHN-HNNXBMFYSA-N 0 3 285.391 2.320 20 30 CEEDHN Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@H](N2CCC2)C1 ZINC000912904208 639103413 /nfs/dbraw/zinc/10/34/13/639103413.db2.gz SEBIEZKDKWLVFQ-INIZCTEOSA-N 0 3 297.402 2.024 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000876899709 650477882 /nfs/dbraw/zinc/47/78/82/650477882.db2.gz OVVZBAVFXMOBQF-RYUDHWBXSA-N 0 3 298.745 2.235 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000876945607 650499557 /nfs/dbraw/zinc/49/95/57/650499557.db2.gz GEWOJOCJTXKTAB-HBNTYKKESA-N 0 3 258.793 2.397 20 30 CEEDHN C[C@@H](O)C[C@H](C)CNCc1cc(C#N)cnc1Cl ZINC000877058751 639502480 /nfs/dbraw/zinc/50/24/80/639502480.db2.gz LXZITXCYTPWEOZ-VHSXEESVSA-N 0 3 267.760 2.103 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)[C@H](N)CC(=C)Cl)C1 ZINC000876962493 650509440 /nfs/dbraw/zinc/50/94/40/650509440.db2.gz QQHCAGWFRSCTSV-VXGBXAGGSA-N 0 3 256.777 2.271 20 30 CEEDHN N#CC(C(=O)C[C@@H]1CCCc2ccccc21)C(=O)NC1CC1 ZINC000171776898 639730060 /nfs/dbraw/zinc/73/00/60/639730060.db2.gz WHCROILWGZJZAS-XJKSGUPXSA-N 0 3 296.370 2.484 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000876992702 650522781 /nfs/dbraw/zinc/52/27/81/650522781.db2.gz HYPDOFHNEGJJFK-NRPADANISA-N 0 3 280.746 2.206 20 30 CEEDHN C=CCN1CCC([NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000877009205 650529854 /nfs/dbraw/zinc/52/98/54/650529854.db2.gz IPACLPZWDMCXDT-UHFFFAOYSA-N 0 3 260.381 2.441 20 30 CEEDHN C=CCCOCCNC[C@@H](O)c1c(F)cccc1F ZINC000231820884 639879022 /nfs/dbraw/zinc/87/90/22/639879022.db2.gz RREZRSUMTMREEF-CYBMUJFWSA-N 0 3 271.307 2.181 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000841900660 639902370 /nfs/dbraw/zinc/90/23/70/639902370.db2.gz BVENMSHNZXXNRF-YQQAZPJKSA-N 0 3 299.418 2.013 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)c3cc[nH]c3CCC)CCC[C@@H]12 ZINC000992129511 639968863 /nfs/dbraw/zinc/96/88/63/639968863.db2.gz MUWQVQYFGDGHPB-AEFFLSMTSA-N 0 3 299.418 2.327 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)c3cc[nH]c3CCC)CCC[C@H]12 ZINC000992129516 639968926 /nfs/dbraw/zinc/96/89/26/639968926.db2.gz MUWQVQYFGDGHPB-WMZOPIPTSA-N 0 3 299.418 2.327 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccn(C)c3C)CCC[C@@H]12 ZINC000992189363 639985031 /nfs/dbraw/zinc/98/50/31/639985031.db2.gz NLQMCAVYMRGURY-AEFFLSMTSA-N 0 3 299.418 2.084 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3cnoc3CC)CCC[C@@H]12 ZINC000992268262 640008868 /nfs/dbraw/zinc/00/88/68/640008868.db2.gz JFFKTJVFVCCSMI-GDBMZVCRSA-N 0 3 289.379 2.150 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccnc(C)c3)CCC[C@@H]12 ZINC000992360561 640032745 /nfs/dbraw/zinc/03/27/45/640032745.db2.gz HGJKZXILLHNXMU-NVXWUHKLSA-N 0 3 285.391 2.303 20 30 CEEDHN C#CCN(C(=O)N[C@H]1CCCC[C@@H]1C)C1CCN(C)CC1 ZINC000913856674 640142308 /nfs/dbraw/zinc/14/23/08/640142308.db2.gz NFFXQJNEWGKGNS-HOCLYGCPSA-N 0 3 291.439 2.304 20 30 CEEDHN C#CCN(C(=O)NCCC(C)(C)C)C1CCN(C)CC1 ZINC000914208765 640274083 /nfs/dbraw/zinc/27/40/83/640274083.db2.gz AQSRQCMKHRTMIU-UHFFFAOYSA-N 0 3 279.428 2.162 20 30 CEEDHN C[C@@H](NCc1cccc(C#N)n1)[C@H](O)c1cccc(F)c1 ZINC000877083321 650564532 /nfs/dbraw/zinc/56/45/32/650564532.db2.gz LKOHDROTAMUURE-BZNIZROVSA-N 0 3 285.322 2.304 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C2CCCC2)[C@@H]1C ZINC000992939683 640376131 /nfs/dbraw/zinc/37/61/31/640376131.db2.gz DYJMADXJGWHLBA-ZFWWWQNUSA-N 0 3 262.397 2.169 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C)n2C)[C@@H]1C ZINC000993010377 640401880 /nfs/dbraw/zinc/40/18/80/640401880.db2.gz GAHWWJVTYRHSPV-GJZGRUSLSA-N 0 3 289.423 2.492 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccc(C)o2)C1 ZINC001007143127 640437287 /nfs/dbraw/zinc/43/72/87/640437287.db2.gz LRJBKGUOLFGDMY-AWEZNQCLSA-N 0 3 276.380 2.287 20 30 CEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2cccc(C#N)n2)C1 ZINC000843612950 640478952 /nfs/dbraw/zinc/47/89/52/640478952.db2.gz RJJRIWKDLGIYOY-HNNXBMFYSA-N 0 3 290.342 2.104 20 30 CEEDHN C#C[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000843967198 640566115 /nfs/dbraw/zinc/56/61/15/640566115.db2.gz JQOURIFLDBDVKO-IJEWVQPXSA-N 0 3 270.376 2.350 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc[nH]c2CC)[C@H]1C 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C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccc1)n1ccnc1 ZINC000845441953 640975904 /nfs/dbraw/zinc/97/59/04/640975904.db2.gz IWSHDCMNGSNHQC-JSGCOSHPSA-N 0 3 296.330 2.182 20 30 CEEDHN C=C(C)CONC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000845603953 641012783 /nfs/dbraw/zinc/01/27/83/641012783.db2.gz REJFNASVOIPDKZ-GJZGRUSLSA-N 0 3 289.379 2.239 20 30 CEEDHN C=C[C@H](C)ONC(=O)N(CCN(C)C)Cc1cccs1 ZINC000845630267 641028419 /nfs/dbraw/zinc/02/84/19/641028419.db2.gz OQZOLJIFGSZSEH-LBPRGKRZSA-N 0 3 297.424 2.327 20 30 CEEDHN C=C[C@H](C)ONC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000845634774 641031104 /nfs/dbraw/zinc/03/11/04/641031104.db2.gz WCCJNWIBSBZSSN-KBPBESRZSA-N 0 3 291.395 2.312 20 30 CEEDHN C=C[C@H](C)ONC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000845641113 641034006 /nfs/dbraw/zinc/03/40/06/641034006.db2.gz XYFHBQILFURRTJ-LBPRGKRZSA-N 0 3 295.383 2.167 20 30 CEEDHN CC(C)(C)OC(=O)NCCC1CC(NCCC#N)C1 ZINC000845964606 641140719 /nfs/dbraw/zinc/14/07/19/641140719.db2.gz JBOIHOLHWMCHND-UHFFFAOYSA-N 0 3 267.373 2.183 20 30 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/nfs/dbraw/zinc/74/54/19/650745419.db2.gz ISBSQUJTGUSNCI-VIFPVBQESA-N 0 3 267.785 2.449 20 30 CEEDHN C=CCN1CCC[C@H](N(CC)C(=O)c2n[nH]cc2F)CC1 ZINC000998113383 642367233 /nfs/dbraw/zinc/36/72/33/642367233.db2.gz ZQKSQFOXVWAWRN-LBPRGKRZSA-N 0 3 294.374 2.051 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccsn2)C1 ZINC000998965222 642451548 /nfs/dbraw/zinc/45/15/48/642451548.db2.gz DDMBOYGCAXUEQB-UHFFFAOYSA-N 0 3 285.800 2.088 20 30 CEEDHN C#C[C@@H](C)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC000877513596 650759986 /nfs/dbraw/zinc/75/99/86/650759986.db2.gz BERDEFXKQUNSKI-CYBMUJFWSA-N 0 3 269.348 2.051 20 30 CEEDHN C[C@](O)(CNCc1csc(C#N)c1)c1ccco1 ZINC000921779838 642610709 /nfs/dbraw/zinc/61/07/09/642610709.db2.gz CHQKYBKSLSOHGW-ZDUSSCGKSA-N 0 3 262.334 2.210 20 30 CEEDHN CC(C)=CCN1CC=C(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001000561698 642623476 /nfs/dbraw/zinc/62/34/76/642623476.db2.gz YWHSLDRDBPGYIZ-UHFFFAOYSA-N 0 3 298.390 2.214 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2ccnn2C(C)C)CC1 ZINC001000727479 642641583 /nfs/dbraw/zinc/64/15/83/642641583.db2.gz AKRVRSYNFHGMAI-UHFFFAOYSA-N 0 3 288.395 2.012 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2cc(C(C)C)on2)CC1 ZINC001001008838 642676032 /nfs/dbraw/zinc/67/60/32/642676032.db2.gz KRBRIVZKYFHJLQ-UHFFFAOYSA-N 0 3 289.379 2.346 20 30 CEEDHN C=CCN1CC=C(CNC(=O)C2CCC(OC)CC2)CC1 ZINC001001115653 642689346 /nfs/dbraw/zinc/68/93/46/642689346.db2.gz WZNFAZCHWXWDLS-UHFFFAOYSA-N 0 3 292.423 2.126 20 30 CEEDHN N#Cc1ccc(CNC[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC000850378069 642689754 /nfs/dbraw/zinc/68/97/54/642689754.db2.gz WMOVJAOBHCDTLM-KGLIPLIRSA-N 0 3 278.302 2.462 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2nccc3[nH]ccc32)CC1 ZINC001001155979 642695444 /nfs/dbraw/zinc/69/54/44/642695444.db2.gz FYBACHWAJFPPCT-UHFFFAOYSA-N 0 3 296.374 2.111 20 30 CEEDHN CC#CCN1CCC(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001001281706 642706354 /nfs/dbraw/zinc/70/63/54/642706354.db2.gz JDDDRBKNCBXUHN-FVQHAEBGSA-N 0 3 288.435 2.274 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2cnn(C(C)C)c2)CC1 ZINC001001368603 642716383 /nfs/dbraw/zinc/71/63/83/642716383.db2.gz OELSYMFQQKYCOG-UHFFFAOYSA-N 0 3 288.395 2.012 20 30 CEEDHN C#CCN1CCC(CNC(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC001001776203 642735588 /nfs/dbraw/zinc/73/55/88/642735588.db2.gz FQJYHAIOOPDLHY-GDBMZVCRSA-N 0 3 276.424 2.274 20 30 CEEDHN C=C[C@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000850573210 642754494 /nfs/dbraw/zinc/75/44/94/642754494.db2.gz WWHDCRYBTUYFJA-NGZCFLSTSA-N 0 3 251.301 2.216 20 30 CEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCCF ZINC000850760139 642777114 /nfs/dbraw/zinc/77/71/14/642777114.db2.gz WHDUGEYUANZOPG-SNVBAGLBSA-N 0 3 278.283 2.092 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN(C)CC(C)(C)CO ZINC000877561379 650790381 /nfs/dbraw/zinc/79/03/81/650790381.db2.gz LNMWWMHLKMWLQZ-UHFFFAOYSA-N 0 3 275.396 2.075 20 30 CEEDHN CCNC(=O)C1(CNCc2csc(C#N)c2)CCC1 ZINC000922055347 642857827 /nfs/dbraw/zinc/85/78/27/642857827.db2.gz UEFFLKKGTXZQTA-UHFFFAOYSA-N 0 3 277.393 2.016 20 30 CEEDHN C=CCN1CCC(NC(=O)C2C=CC=CC=C2)CC1 ZINC001002927408 642866775 /nfs/dbraw/zinc/86/67/75/642866775.db2.gz PBEQWDKWROHQII-UHFFFAOYSA-N 0 3 258.365 2.051 20 30 CEEDHN N#CC[C@@H]1CC[C@H](NCc2nc(Br)c[nH]2)C1 ZINC000922160936 642917087 /nfs/dbraw/zinc/91/70/87/642917087.db2.gz NNVRIMBRAVKLGS-IUCAKERBSA-N 0 3 283.173 2.344 20 30 CEEDHN C=CCn1cc(CN[C@@H]2CCC[C@H](SC)C2)nn1 ZINC000922198541 642951111 /nfs/dbraw/zinc/95/11/11/642951111.db2.gz UJABBQQFUOPSPB-YPMHNXCESA-N 0 3 266.414 2.228 20 30 CEEDHN C=CCn1cc(CN[C@H]2CCC[C@@H](SC)C2)nn1 ZINC000922198540 642951422 /nfs/dbraw/zinc/95/14/22/642951422.db2.gz UJABBQQFUOPSPB-WCQYABFASA-N 0 3 266.414 2.228 20 30 CEEDHN C#CC[C@@H](CCOC)NCc1ccc(C(=O)OC)cc1F ZINC000922300124 643010020 /nfs/dbraw/zinc/01/00/20/643010020.db2.gz VMDOKYVXDNDLDG-AWEZNQCLSA-N 0 3 293.338 2.130 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cnoc2C2CC2)CC1 ZINC001003894345 643015842 /nfs/dbraw/zinc/01/58/42/643015842.db2.gz UIBRMXPMZKLQQY-UHFFFAOYSA-N 0 3 289.379 2.322 20 30 CEEDHN C[C@@H]1C[C@@]2(CC[C@H](CNCc3csc(C#N)c3)O2)CO1 ZINC000922337273 643036048 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C[C@H]1[C@H](C)N(Cc2ccc(OCC#N)cc2)CCN1C ZINC000771462951 646521913 /nfs/dbraw/zinc/52/19/13/646521913.db2.gz XECARBGMQNCQGG-KBPBESRZSA-N 0 3 273.380 2.113 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCCCC2)nc1 ZINC000862629867 646530810 /nfs/dbraw/zinc/53/08/10/646530810.db2.gz SAKAJQIYELIXFN-INIZCTEOSA-N 0 3 297.402 2.200 20 30 CEEDHN CCC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(N)cc1 ZINC000863103659 646635922 /nfs/dbraw/zinc/63/59/22/646635922.db2.gz GSQFHAURHVDBJU-HUUCEWRRSA-N 0 3 285.395 2.243 20 30 CEEDHN CC(C)[C@@H](C(=O)N(C)CCc1cccc(C#N)c1)N(C)C ZINC000863435723 646724397 /nfs/dbraw/zinc/72/43/97/646724397.db2.gz UIVCZWKALWXBJB-INIZCTEOSA-N 0 3 287.407 2.145 20 30 CEEDHN c1ccc2c(c1)NCCCC2=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000774395101 646841679 /nfs/dbraw/zinc/84/16/79/646841679.db2.gz RBTWQVMKZLVRBL-IYBDPMFKSA-N 0 3 297.406 2.456 20 30 CEEDHN C#CCNC(=O)CN[C@@H](CCC=C)c1ccccc1 ZINC000775463558 646957010 /nfs/dbraw/zinc/95/70/10/646957010.db2.gz LPQAAFJFHXVGRO-HNNXBMFYSA-N 0 3 256.349 2.033 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CEEDHN COc1ccc(N=NC2C[C@H](C)N(C3CC3)C2)nc1 ZINC000780269613 647409467 /nfs/dbraw/zinc/40/94/67/647409467.db2.gz SXZCSSSMYBJADW-JTQLQIEISA-N 0 3 260.341 2.115 20 30 CEEDHN CN1CCn2nc(NCC(C)(C)CCC#N)cc2C1 ZINC000865844624 647488735 /nfs/dbraw/zinc/48/87/35/647488735.db2.gz FLESLLHWIJLQCH-UHFFFAOYSA-N 0 3 261.373 2.070 20 30 CEEDHN N#CCOc1ccc(CN2CCOCC3(CC3)C2)cc1 ZINC000782535851 647634702 /nfs/dbraw/zinc/63/47/02/647634702.db2.gz NIRDWCUBEQGFEP-UHFFFAOYSA-N 0 3 272.348 2.201 20 30 CEEDHN C#CCN(CC#CC)CCC(C)(C)CC(=O)OCC ZINC000805742527 647690937 /nfs/dbraw/zinc/69/09/37/647690937.db2.gz MDUDNFQNIURRDL-UHFFFAOYSA-N 0 3 263.381 2.314 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CC[C@@H]3SCCS[C@@H]23)nc1 ZINC000783293379 647707013 /nfs/dbraw/zinc/70/70/13/647707013.db2.gz FZKRRVPZDCTFNG-RDBSUJKOSA-N 0 3 291.445 2.422 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H](C)c1cc2c(s1)CCC2 ZINC000783530939 647725526 /nfs/dbraw/zinc/72/55/26/647725526.db2.gz DYSILDREJICSIP-NSHDSACASA-N 0 3 299.461 2.488 20 30 CEEDHN C#CCSCC(=O)OC[C@H]1CCCCN1C(C)C ZINC000885899815 647794631 /nfs/dbraw/zinc/79/46/31/647794631.db2.gz GIVFHTUWFYYCOS-CYBMUJFWSA-N 0 3 269.410 2.159 20 30 CEEDHN C[C@@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1ncc[nH]1 ZINC000866618337 647845430 /nfs/dbraw/zinc/84/54/30/647845430.db2.gz YWDPCQXPSOMMDQ-QMTHXVAHSA-N 0 3 252.321 2.099 20 30 CEEDHN Cc1nccnc1[C@H](C)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000866618150 647845519 /nfs/dbraw/zinc/84/55/19/647845519.db2.gz WEVHTFRSCDBCQK-LRDDRELGSA-N 0 3 278.359 2.475 20 30 CEEDHN C#CCCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000785716396 647949886 /nfs/dbraw/zinc/94/98/86/647949886.db2.gz XWAXSVQSLDGXNW-UHFFFAOYSA-N 0 3 257.333 2.463 20 30 CEEDHN CC[C@H](C)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786561394 648026630 /nfs/dbraw/zinc/02/66/30/648026630.db2.gz UFFUQIRWHCMXJC-CABZTGNLSA-N 0 3 294.301 2.336 20 30 CEEDHN C=CC[N@@H+](CCOC)Cc1ccc(OCC)cc1[O-] ZINC000792192320 648622273 /nfs/dbraw/zinc/62/22/73/648622273.db2.gz HWBFADBPTPQXCS-UHFFFAOYSA-N 0 3 265.353 2.425 20 30 CEEDHN C=CC[N@H+](CCOC)Cc1ccc(OCC)cc1[O-] ZINC000792192320 648622274 /nfs/dbraw/zinc/62/22/74/648622274.db2.gz HWBFADBPTPQXCS-UHFFFAOYSA-N 0 3 265.353 2.425 20 30 CEEDHN C=CCN(CCOC)Cc1ccc(OCC)cc1O ZINC000792192320 648622275 /nfs/dbraw/zinc/62/22/75/648622275.db2.gz HWBFADBPTPQXCS-UHFFFAOYSA-N 0 3 265.353 2.425 20 30 CEEDHN N#CC(C(=O)CCCOC1CCOCC1)c1ccccn1 ZINC000870135999 648711102 /nfs/dbraw/zinc/71/11/02/648711102.db2.gz GVLVLWLVJQQRQE-CQSZACIVSA-N 0 3 288.347 2.234 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@@H](O)CC[C@H](C)CC)CC1 ZINC000793444648 648760306 /nfs/dbraw/zinc/76/03/06/648760306.db2.gz NALIDGMUJLFITM-ZBFHGGJFSA-N 0 3 296.455 2.330 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc(C)cc(C)c2O)CC1 ZINC000870810479 648927281 /nfs/dbraw/zinc/92/72/81/648927281.db2.gz SOEKVDPVFDRGNW-UHFFFAOYSA-N 0 3 286.375 2.293 20 30 CEEDHN Cc1[nH]cnc1CC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000923632961 649161391 /nfs/dbraw/zinc/16/13/91/649161391.db2.gz FFIMATTVEFOIFU-JTQLQIEISA-N 0 3 268.320 2.010 20 30 CEEDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Nc1ccc(C#N)cc1 ZINC000871764037 649175655 /nfs/dbraw/zinc/17/56/55/649175655.db2.gz SXBFRTPLNZBOAA-CABCVRRESA-N 0 3 284.363 2.259 20 30 CEEDHN C=CCN1CC[C@H](N2CCC[C@H](OC3CCC3)CC2)C1=O ZINC000872281682 649343245 /nfs/dbraw/zinc/34/32/45/649343245.db2.gz XRJKROPJUXXIRD-HOTGVXAUSA-N 0 3 292.423 2.197 20 30 CEEDHN C#CCN(C[C@@H]1CCC2(CCOCC2)CO1)C1CC1 ZINC000878434819 651095905 /nfs/dbraw/zinc/09/59/05/651095905.db2.gz UJNXRXFCALCDKZ-HNNXBMFYSA-N 0 3 263.381 2.060 20 30 CEEDHN C=CCN(C[C@H]1CCC2(CCOCC2)O1)[C@@H](C)COC ZINC000878889855 651204566 /nfs/dbraw/zinc/20/45/66/651204566.db2.gz KVRBMHRGXHIZAG-LSDHHAIUSA-N 0 3 283.412 2.238 20 30 CEEDHN C=CCCCN1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC000879370622 651293719 /nfs/dbraw/zinc/29/37/19/651293719.db2.gz UHYXAXKEHNPKIP-NSHDSACASA-N 0 3 261.312 2.473 20 30 CEEDHN C=C(C)CCN1CCC(F)(F)[C@@H](C(=O)OCC)C1 ZINC000879366959 651292715 /nfs/dbraw/zinc/29/27/15/651292715.db2.gz BLYITYLPNOXWPK-LLVKDONJSA-N 0 3 261.312 2.473 20 30 CEEDHN C=C(Cl)CN1CCN[C@@H](c2ccc(OC)cc2)C1 ZINC000879522478 651315693 /nfs/dbraw/zinc/31/56/93/651315693.db2.gz YCAXFRDPDDNXLN-CQSZACIVSA-N 0 3 266.772 2.394 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585980 651327651 /nfs/dbraw/zinc/32/76/51/651327651.db2.gz UHAZAADXEAJLIQ-KRWDZBQOSA-N 0 3 285.391 2.007 20 30 CEEDHN CC[C@@H](CN1CCN(c2ccc(C#N)cc2)CC1)OC ZINC000879586775 651327684 /nfs/dbraw/zinc/32/76/84/651327684.db2.gz UKHOEXICRPVQBF-INIZCTEOSA-N 0 3 273.380 2.105 20 30 CEEDHN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3CCO[C@H](C)C#N)no1 ZINC000879682008 651338457 /nfs/dbraw/zinc/33/84/57/651338457.db2.gz QTLKGICYRLPTNI-NDNKKMJESA-N 0 3 290.367 2.017 20 30 CEEDHN C#CCCN1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC000879754576 651347742 /nfs/dbraw/zinc/34/77/42/651347742.db2.gz MZPHPNWDARXLFG-KGLIPLIRSA-N 0 3 278.396 2.484 20 30 CEEDHN CC(C)CC(=O)N1CCCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000879761634 651348700 /nfs/dbraw/zinc/34/87/00/651348700.db2.gz OFCWBFWMKOLGMA-LSDHHAIUSA-N 0 3 277.412 2.259 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](CF)C1 ZINC000880234058 651405459 /nfs/dbraw/zinc/40/54/59/651405459.db2.gz HEUYCKXDQFKTLF-UONOGXRCSA-N 0 3 270.392 2.481 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)C2CC2)CCN1Cc1cccc(C#N)c1 ZINC000946957547 652335276 /nfs/dbraw/zinc/33/52/76/652335276.db2.gz RNJRIXCGCMNROH-GUYCJALGSA-N 0 3 297.402 2.437 20 30 CEEDHN C=CCC[C@@H](COc1ccccc1)NCCS(C)(=O)=O ZINC000883180729 652391391 /nfs/dbraw/zinc/39/13/91/652391391.db2.gz JADUBKJQQDFVFH-AWEZNQCLSA-N 0 3 297.420 2.034 20 30 CEEDHN C=CCC[C@H](NCc1cc(C)ncn1)[C@H]1CCCO1 ZINC000883209091 652400923 /nfs/dbraw/zinc/40/09/23/652400923.db2.gz VGVFBLAIPAWWOM-LSDHHAIUSA-N 0 3 261.369 2.388 20 30 CEEDHN C[C@@H](N(C)C(=O)C1CC2(C1)CNC[C@H]2C#N)C(C)(C)C ZINC000884087464 652701651 /nfs/dbraw/zinc/70/16/51/652701651.db2.gz DOZFKFLUAWZZDT-ISGSLZAZSA-N 0 3 277.412 2.019 20 30 CEEDHN CC(C)CN(C(=O)C1CC2(C1)CNC[C@H]2C#N)C(C)C ZINC000884089872 652703346 /nfs/dbraw/zinc/70/33/46/652703346.db2.gz CGMSKELNVMFYJD-NPCAHTBFSA-N 0 3 277.412 2.019 20 30 CEEDHN CC[C@@H]1CCCC[C@@H]1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884091584 652703852 /nfs/dbraw/zinc/70/38/52/652703852.db2.gz CGVMEBLJSPHESW-GQGDVANPSA-N 0 3 289.423 2.211 20 30 CEEDHN CC1CCC(C)(NC(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC000884118223 652715180 /nfs/dbraw/zinc/71/51/80/652715180.db2.gz YOGVKXSDRQEGAI-JULPFRMLSA-N 0 3 289.423 2.211 20 30 CEEDHN C[C@@H](CCC(C)(C)C)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884147188 652729681 /nfs/dbraw/zinc/72/96/81/652729681.db2.gz BPTRHENVXPIEBV-XCCIUEIHSA-N 0 3 291.439 2.457 20 30 CEEDHN C=CC(C)(C)CC(=O)Nc1cnc2c(c1)CNCC2 ZINC000884243540 652763913 /nfs/dbraw/zinc/76/39/13/652763913.db2.gz JWJOQKNQWSILNC-UHFFFAOYSA-N 0 3 259.353 2.268 20 30 CEEDHN Cc1ccc2c(c1)CCN2C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884315741 652791973 /nfs/dbraw/zinc/79/19/73/652791973.db2.gz ZECUGKKUVDFMJX-SWKXRBFHSA-N 0 3 295.386 2.024 20 30 CEEDHN C#CCN1CCC[C@@H](Nc2ccncc2C(F)(F)F)C1 ZINC000884610054 652941849 /nfs/dbraw/zinc/94/18/49/652941849.db2.gz CEJVJVRYAAYCBD-LLVKDONJSA-N 0 3 283.297 2.032 20 30 CEEDHN Cc1cnc(N2CCN(CC(C)C)CC2)c(C#N)c1 ZINC001164651815 719329364 /nfs/dbraw/zinc/32/93/64/719329364.db2.gz IMQOOEBHCXRBOG-UHFFFAOYSA-N 0 3 258.369 2.040 20 30 CEEDHN C#CCN1CCC(C)(CNC(=O)C2(C3CC3)CC2)CC1 ZINC001270885411 805653399 /nfs/dbraw/zinc/65/33/99/805653399.db2.gz INPYBWDWBMRFJR-UHFFFAOYSA-N 0 3 274.408 2.028 20 30 CEEDHN CC[C@@H](F)C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001271067732 805732132 /nfs/dbraw/zinc/73/21/32/805732132.db2.gz JXFQOSJGSYFAKB-GOEBONIOSA-N 0 3 290.382 2.223 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2OCC[C@H]2CC)[C@H]1CC ZINC001087608883 805759931 /nfs/dbraw/zinc/75/99/31/805759931.db2.gz JTJYPQZURWZOCI-QXSJWSMHSA-N 0 3 294.439 2.347 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cn3ccccc3n2)[C@H]1CC ZINC001087817334 805803787 /nfs/dbraw/zinc/80/37/87/805803787.db2.gz KOPPJGQQEQQWDI-DZGCQCFKSA-N 0 3 298.390 2.103 20 30 CEEDHN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(C)C)C1 ZINC001029466287 805860634 /nfs/dbraw/zinc/86/06/34/805860634.db2.gz KQQQTYKWEFBEAR-OKILXGFUSA-N 0 3 262.397 2.426 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C(C)(C)C(F)F)C[C@@H]2C1 ZINC001088099129 805932532 /nfs/dbraw/zinc/93/25/32/805932532.db2.gz UNDLHDSJWUCADJ-OLZOCXBDSA-N 0 3 298.377 2.081 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)C(C)(F)F)C[C@@H]2C1 ZINC001088110313 805937249 /nfs/dbraw/zinc/93/72/49/805937249.db2.gz VIVJDNIIQPDSEV-MCIONIFRSA-N 0 3 298.377 2.081 20 30 CEEDHN COc1c(Cl)cnc(O[C@@H]2CCN(C(C)C)C2)c1C#N ZINC001227559690 805949069 /nfs/dbraw/zinc/94/90/69/805949069.db2.gz QEBRGFYOWYVPLB-SNVBAGLBSA-N 0 3 295.770 2.477 20 30 CEEDHN C=CCN1CC[C@@H](OCC2CCN(C(=O)C(C)C)CC2)C1 ZINC001088229105 805973041 /nfs/dbraw/zinc/97/30/41/805973041.db2.gz JBTDSXXNFOOPCJ-MRXNPFEDSA-N 0 3 294.439 2.158 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)/C=C(\C)C3CC3)C2)C1 ZINC001040094568 806020946 /nfs/dbraw/zinc/02/09/46/806020946.db2.gz XJWQAMKUSZJCGW-XOVFHRFOSA-N 0 3 286.419 2.290 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H](C)OC)C1 ZINC001088274507 806076023 /nfs/dbraw/zinc/07/60/23/806076023.db2.gz WQINUEBVJMPFFL-QWHCGFSZSA-N 0 3 288.819 2.135 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)COCCCC ZINC001272016368 806277424 /nfs/dbraw/zinc/27/74/24/806277424.db2.gz QVQVBQMQFXOSDO-CABCVRRESA-N 0 3 280.412 2.054 20 30 CEEDHN C#CCCCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2CC#CC ZINC001272017528 806280679 /nfs/dbraw/zinc/28/06/79/806280679.db2.gz YBVLBRSTTLFVND-SJORKVTESA-N 0 3 286.419 2.269 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)[C@H]1C ZINC001088550713 806373462 /nfs/dbraw/zinc/37/34/62/806373462.db2.gz OXCXMVKMKLOYGB-RHYQMDGZSA-N 0 3 272.339 2.043 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)c1c[nH]c2ccccc21 ZINC001272060756 806399406 /nfs/dbraw/zinc/39/94/06/806399406.db2.gz LDVSJUCBIUMJDN-UHFFFAOYSA-N 0 3 283.375 2.195 20 30 CEEDHN CN(C)c1ncccc1CN1CCC(CC#N)CC1 ZINC001117581653 814931745 /nfs/dbraw/zinc/93/17/45/814931745.db2.gz SQAPSEWLJZQGDR-UHFFFAOYSA-N 0 3 258.369 2.273 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1C ZINC001088613377 806535811 /nfs/dbraw/zinc/53/58/11/806535811.db2.gz DDENNDVGMLVULC-DOMZBBRYSA-N 0 3 285.391 2.108 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)C3CCC3)[C@@H]2C1 ZINC001075936001 806581879 /nfs/dbraw/zinc/58/18/79/806581879.db2.gz MNDSFDJCHVIXCK-VHDGCEQUSA-N 0 3 262.397 2.141 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CCC2(C)C)[C@H]1C ZINC001088803535 806733335 /nfs/dbraw/zinc/73/33/35/806733335.db2.gz MFTLHRUXLRTQKT-MCIONIFRSA-N 0 3 262.397 2.025 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCc3cccnc32)[C@H]1C ZINC001088822688 806772535 /nfs/dbraw/zinc/77/25/35/806772535.db2.gz CUWDOZPTLWUHSF-KBMXLJTQSA-N 0 3 299.418 2.267 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)C(F)(F)F)[C@@H]2C1 ZINC001076143938 806816180 /nfs/dbraw/zinc/81/61/80/806816180.db2.gz RNGFAANTMMAIHK-SDDRHHMPSA-N 0 3 290.329 2.294 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3cccc(C)c3)[C@@H]2C1 ZINC001076198029 806823573 /nfs/dbraw/zinc/82/35/73/806823573.db2.gz UQBUZSKAYHYGPV-DLBZAZTESA-N 0 3 284.403 2.256 20 30 CEEDHN C=CCCCN1Cc2cnn(CC)c2[C@H](COC)C1 ZINC001209157708 802477155 /nfs/dbraw/zinc/47/71/55/802477155.db2.gz FXYOYIMQDHFOJL-AWEZNQCLSA-N 0 3 263.385 2.415 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)C1Cc2ccccc2C1 ZINC001167269689 802617796 /nfs/dbraw/zinc/61/77/96/802617796.db2.gz RFSJRZOIPLNPAC-UHFFFAOYSA-N 0 3 292.810 2.250 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c(C)ccn1C ZINC001038189667 802670863 /nfs/dbraw/zinc/67/08/63/802670863.db2.gz GNIRBGBCWKQTDV-CQSZACIVSA-N 0 3 275.396 2.104 20 30 CEEDHN C#CCN(CCC)CCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001266568098 802724662 /nfs/dbraw/zinc/72/46/62/802724662.db2.gz DRBFPSABQVBUCU-LSDHHAIUSA-N 0 3 264.413 2.274 20 30 CEEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2cccc(Cl)n2)C1 ZINC001266580825 802739369 /nfs/dbraw/zinc/73/93/69/802739369.db2.gz IYAXSTPKWQTAJP-JOCQHMNTSA-N 0 3 293.798 2.438 20 30 CEEDHN C=CCCCN(CCNC(=O)C(=O)C(C)(C)C)C1CC1 ZINC001266586147 802745951 /nfs/dbraw/zinc/74/59/51/802745951.db2.gz 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ZVROYCTUKZWZQL-UGUYLWEFSA-N 0 3 292.423 2.123 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]cc2C2CC2)[C@H]1C ZINC001088949904 807292061 /nfs/dbraw/zinc/29/20/61/807292061.db2.gz MFFGRTWIBQZGBN-ABAIWWIYSA-N 0 3 273.380 2.271 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CC23CCCC3)[C@H]1C ZINC001088961011 807296983 /nfs/dbraw/zinc/29/69/83/807296983.db2.gz LACWGBKSHLWJJK-ILXRZTDVSA-N 0 3 274.408 2.169 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2c(F)cccc2F)[C@H]1C ZINC001089001528 807309919 /nfs/dbraw/zinc/30/99/19/807309919.db2.gz MABLHPCNVUGXDZ-RISCZKNCSA-N 0 3 292.329 2.181 20 30 CEEDHN CC(=O)N1CCCC[C@H]1CN(C)Cc1ccc(C#N)cc1 ZINC001089094144 807340273 /nfs/dbraw/zinc/34/02/73/807340273.db2.gz LDSUSTDYMFZMNB-KRWDZBQOSA-N 0 3 285.391 2.391 20 30 CEEDHN CC(C)CCCN1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234177727 807549649 /nfs/dbraw/zinc/54/96/49/807549649.db2.gz DEDUBPQGAXPSFM-MRXNPFEDSA-N 0 3 276.424 2.369 20 30 CEEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cccn1C ZINC001272572578 807608291 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808301098 /nfs/dbraw/zinc/30/10/98/808301098.db2.gz ZBFMOMUTTSAQBW-GFCCVEGCSA-N 0 3 291.370 2.339 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(C)c1 ZINC001032330450 808463483 /nfs/dbraw/zinc/46/34/83/808463483.db2.gz ISVJUEFPVCWHED-HOTGVXAUSA-N 0 3 285.391 2.255 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC1(F)F ZINC001032467137 808619889 /nfs/dbraw/zinc/61/98/89/808619889.db2.gz BYXRYWIUIWVHFC-RWMBFGLXSA-N 0 3 284.350 2.283 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(F)(F)F ZINC001032567549 808704369 /nfs/dbraw/zinc/70/43/69/808704369.db2.gz OVTYAIFCCBQZOM-WOPDTQHZSA-N 0 3 290.329 2.436 20 30 CEEDHN C=CC(C)(C)NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC001120545235 815235554 /nfs/dbraw/zinc/23/55/54/815235554.db2.gz HKTSBKMTHVZZFP-AWEZNQCLSA-N 0 3 273.380 2.137 20 30 CEEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)F ZINC001049272577 808792318 /nfs/dbraw/zinc/79/23/18/808792318.db2.gz CSOPCYCCHAANKC-OLZOCXBDSA-N 0 3 268.376 2.376 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCOC1 ZINC001032787737 808869455 /nfs/dbraw/zinc/86/94/55/808869455.db2.gz XZFXXDWAWVLFGM-PMPSAXMXSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)C(C)(C)C)[C@H](OC)C1 ZINC001212469490 809013932 /nfs/dbraw/zinc/01/39/32/809013932.db2.gz DZOWIQKVCDKGFP-RBSFLKMASA-N 0 3 296.455 2.450 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2c(C)nsc2C)C1 ZINC001016357496 809030592 /nfs/dbraw/zinc/03/05/92/809030592.db2.gz ROSSYTLAIHNNHZ-LBPRGKRZSA-N 0 3 279.409 2.140 20 30 CEEDHN C=C(C)CCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001128404742 809045706 /nfs/dbraw/zinc/04/57/06/809045706.db2.gz CKWAUKQQLCLECJ-UHFFFAOYSA-N 0 3 291.351 2.157 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2CCCC2)C1 ZINC001032855510 809092572 /nfs/dbraw/zinc/09/25/72/809092572.db2.gz CWMKDQLAOZCWBL-CQSZACIVSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2cccs2)C1 ZINC001032870122 809100760 /nfs/dbraw/zinc/10/07/60/809100760.db2.gz NBJFHVFMORKECP-CYBMUJFWSA-N 0 3 278.421 2.399 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccccc2)C1 ZINC001032877115 809103588 /nfs/dbraw/zinc/10/35/88/809103588.db2.gz QDTFDYCGJPGTKY-HNNXBMFYSA-N 0 3 258.365 2.409 20 30 CEEDHN C=CCOc1ccccc1C(=O)N(C)[C@H]1CCN(CC)C1 ZINC001033202408 809234868 /nfs/dbraw/zinc/23/48/68/809234868.db2.gz GRYASCHMXJFRAZ-AWEZNQCLSA-N 0 3 288.391 2.418 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2c[nH]c3ccccc32)C1 ZINC001033238470 809244707 /nfs/dbraw/zinc/24/47/07/809244707.db2.gz WRTCFYQENJKPDT-AWEZNQCLSA-N 0 3 295.386 2.338 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(Cl)cn2C)C1 ZINC001033242777 809246714 /nfs/dbraw/zinc/24/67/14/809246714.db2.gz JWOHWDLIPOTWGK-ZDUSSCGKSA-N 0 3 295.814 2.401 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001033287588 809258054 /nfs/dbraw/zinc/25/80/54/809258054.db2.gz ADAIGZVSQTVREJ-LUKYLMHMSA-N 0 3 288.435 2.369 20 30 CEEDHN C#Cc1cncc(C(=O)N(C)[C@@H]2CCN(CC=C(C)C)C2)c1 ZINC001033406418 809298475 /nfs/dbraw/zinc/29/84/75/809298475.db2.gz 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/nfs/dbraw/zinc/46/75/66/809467566.db2.gz KPDAXMRVCZAOTL-ZDUSSCGKSA-N 0 3 291.395 2.350 20 30 CEEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2nccs2)C1 ZINC001033996438 809474927 /nfs/dbraw/zinc/47/49/27/809474927.db2.gz NYJGEXPAUQBHSX-GFCCVEGCSA-N 0 3 279.409 2.256 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccco2)C1 ZINC001034073231 809503852 /nfs/dbraw/zinc/50/38/52/809503852.db2.gz GRWSPHTZLNYRGL-CYBMUJFWSA-N 0 3 262.353 2.440 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C(C)=C2CCCC2)[C@@H](O)C1 ZINC001090187463 809507350 /nfs/dbraw/zinc/50/73/50/809507350.db2.gz XDZFOLWJUXCIIK-CVEARBPZSA-N 0 3 292.423 2.004 20 30 CEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccoc2C)C1 ZINC001034091547 809509681 /nfs/dbraw/zinc/50/96/81/809509681.db2.gz PNOCDNKFBSEDRA-CQSZACIVSA-N 0 3 274.364 2.196 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001034101070 809513550 /nfs/dbraw/zinc/51/35/50/809513550.db2.gz HRDCDXZLKMMLCN-CABCVRRESA-N 0 3 262.397 2.499 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)Cc2cc(C)on2)C1 ZINC001034134199 809528168 /nfs/dbraw/zinc/52/81/68/809528168.db2.gz CVRLJUJPZYDPOQ-CQSZACIVSA-N 0 3 291.395 2.072 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)C[C@H]2CCCCO2)C1 ZINC001034157952 809530124 /nfs/dbraw/zinc/53/01/24/809530124.db2.gz CNJWYGKXBVYWJS-HUUCEWRRSA-N 0 3 280.412 2.102 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc[nH]c2C)C1 ZINC001034147955 809532758 /nfs/dbraw/zinc/53/27/58/809532758.db2.gz YBWDSULMNWKWSP-CQSZACIVSA-N 0 3 275.396 2.484 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC001034168635 809540744 /nfs/dbraw/zinc/54/07/44/809540744.db2.gz IYZPFDVYRRALFE-GJZGRUSLSA-N 0 3 280.412 2.102 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccc(C)o2)C1 ZINC001034171968 809540856 /nfs/dbraw/zinc/54/08/56/809540856.db2.gz JEHJVAVCEACNNA-CQSZACIVSA-N 0 3 276.380 2.287 20 30 CEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccoc2CC)C1 ZINC001034184663 809544141 /nfs/dbraw/zinc/54/41/41/809544141.db2.gz HIURUYDVYYVBJS-AWEZNQCLSA-N 0 3 288.391 2.450 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc[nH]c2CC)C1 ZINC001034195153 809548848 /nfs/dbraw/zinc/54/88/48/809548848.db2.gz OZUQWOAVLRATAY-CYBMUJFWSA-N 0 3 275.396 2.347 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001034317798 809578007 /nfs/dbraw/zinc/57/80/07/809578007.db2.gz QAUQEPQDIGHGKH-XHSDSOJGSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001034351536 809588359 /nfs/dbraw/zinc/58/83/59/809588359.db2.gz TUEGAROIFYCENS-ZBFHGGJFSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC001034415893 809604658 /nfs/dbraw/zinc/60/46/58/809604658.db2.gz LAFJRPWAJZKJEG-AWEZNQCLSA-N 0 3 275.396 2.402 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H]2CCCCN(CC(=C)C)C2)cn1 ZINC001034492830 809617608 /nfs/dbraw/zinc/61/76/08/809617608.db2.gz HWUYQAOUKPXLSR-KRWDZBQOSA-N 0 3 297.402 2.223 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001034516075 809622913 /nfs/dbraw/zinc/62/29/13/809622913.db2.gz NENFABLAGGAQIS-OAHLLOKOSA-N 0 3 289.423 2.412 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccncc1)CC2 ZINC001035635119 809795598 /nfs/dbraw/zinc/79/55/98/809795598.db2.gz BFNGAFQEVLUXPC-UHFFFAOYSA-N 0 3 285.391 2.196 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)CCC1CC1)CC2 ZINC001035675966 809801651 /nfs/dbraw/zinc/80/16/51/809801651.db2.gz XXNSABBBKAFLTC-UHFFFAOYSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@]1(C)C=CCC1)CC2 ZINC001035765941 809812127 /nfs/dbraw/zinc/81/21/27/809812127.db2.gz JMVHCIYCVUFOFV-QGZVFWFLSA-N 0 3 286.419 2.290 20 30 CEEDHN C=CCC1(C(=O)NCC2(NCCF)CCC2)CCC1 ZINC001273146707 810047302 /nfs/dbraw/zinc/04/73/02/810047302.db2.gz CNXKZRZWUXMXOC-UHFFFAOYSA-N 0 3 268.376 2.331 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC001079485897 810214892 /nfs/dbraw/zinc/21/48/92/810214892.db2.gz CHSHYDDOSSUFNX-GDBMZVCRSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC001079772647 810233389 /nfs/dbraw/zinc/23/33/89/810233389.db2.gz AYGLZGNJAOLACM-TZMCWYRMSA-N 0 3 290.432 2.438 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001080067642 810246915 /nfs/dbraw/zinc/24/69/15/810246915.db2.gz JBAAVJNNINYQEM-GDBMZVCRSA-N 0 3 272.392 2.160 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001080214029 810255431 /nfs/dbraw/zinc/25/54/31/810255431.db2.gz YYWQZLDAEJMUPG-ZIAGYGMSSA-N 0 3 262.397 2.027 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(CC=C(C)C)C2)cc1 ZINC001015482294 810295417 /nfs/dbraw/zinc/29/54/17/810295417.db2.gz LXHYGFHILGFUNN-KRWDZBQOSA-N 0 3 282.387 2.438 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001080811797 810308943 /nfs/dbraw/zinc/30/89/43/810308943.db2.gz XGRDSNOHICUHAN-BZZMCLGOSA-N 0 3 296.414 2.250 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ncccc2Cl)C1 ZINC001080816775 810309760 /nfs/dbraw/zinc/30/97/60/810309760.db2.gz ZTIGUCYQTPLBER-DGCLKSJQSA-N 0 3 293.798 2.361 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001015620353 810316933 /nfs/dbraw/zinc/31/69/33/810316933.db2.gz UZBZBVQKDPXHMH-MRXNPFEDSA-N 0 3 288.435 2.417 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C2CCOCC2)C1 ZINC001081063281 810327522 /nfs/dbraw/zinc/32/75/22/810327522.db2.gz DUJAFFKAQLEXMN-IJEWVQPXSA-N 0 3 294.439 2.062 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](C)CC)C[C@H]1c1ccccc1 ZINC001081090295 810330754 /nfs/dbraw/zinc/33/07/54/810330754.db2.gz BRCANMFYUTVUGC-BHYGNILZSA-N 0 3 284.403 2.250 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001015721010 810338770 /nfs/dbraw/zinc/33/87/70/810338770.db2.gz WPTNVZGKAZWMMK-OAHLLOKOSA-N 0 3 297.402 2.095 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCC1Cc2ccccc2C1 ZINC001121880655 815362681 /nfs/dbraw/zinc/36/26/81/815362681.db2.gz WIKBCVQJOSMCMW-MRXNPFEDSA-N 0 3 272.392 2.201 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCCC12COC2 ZINC001172307497 815363108 /nfs/dbraw/zinc/36/31/08/815363108.db2.gz OTPZXMKUHSEQDX-ZDUSSCGKSA-N 0 3 256.349 2.354 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(CC=C(C)C)C1 ZINC001015828342 810361149 /nfs/dbraw/zinc/36/11/49/810361149.db2.gz DZSVSPNMNUFUJQ-JYJNAYRXSA-N 0 3 292.423 2.124 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001015951746 810377109 /nfs/dbraw/zinc/37/71/09/810377109.db2.gz SASDKHMJXNNDAI-ZIAGYGMSSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)Cc1cccs1 ZINC001121919192 815367364 /nfs/dbraw/zinc/36/73/64/815367364.db2.gz TYIMWBNVFYBMCN-YPMHNXCESA-N 0 3 266.410 2.479 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001016147645 810403197 /nfs/dbraw/zinc/40/31/97/810403197.db2.gz SNPYXBJTWPAWOV-HNNXBMFYSA-N 0 3 290.794 2.096 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCC(F)(F)[C@H](CO)C1 ZINC001172314228 815368179 /nfs/dbraw/zinc/36/81/79/815368179.db2.gz ICUXNIXXQOSDEE-DOMZBBRYSA-N 0 3 294.345 2.439 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C2CCCC2)CC1 ZINC001016462994 810440820 /nfs/dbraw/zinc/44/08/20/810440820.db2.gz AUVKFZVBWOJXTR-OAHLLOKOSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(C)s2)CC1 ZINC001016479961 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C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CC23CCCC3)CC1 ZINC001016906469 810476467 /nfs/dbraw/zinc/47/64/67/810476467.db2.gz KTXNLLLADZNWAD-GJZGRUSLSA-N 0 3 286.419 2.171 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cc(C)cc(C)c3)[C@@H]2C1 ZINC001084796505 810522908 /nfs/dbraw/zinc/52/29/08/810522908.db2.gz GGJMEEPRRTXLAV-SJLPKXTDSA-N 0 3 296.414 2.473 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H](C)CO1 ZINC001017751152 810549949 /nfs/dbraw/zinc/54/99/49/810549949.db2.gz CBHXNCLXSBXQAX-CAOSSQGBSA-N 0 3 292.423 2.053 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)C(C)C ZINC001017890346 810567768 /nfs/dbraw/zinc/56/77/68/810567768.db2.gz HDLGPMQSQBCPJQ-OWCLPIDISA-N 0 3 294.439 2.299 20 30 CEEDHN C=CCN1CCC2(CCN(Cc3ccc(C)nc3)CC2)C1=O ZINC001273258401 810580000 /nfs/dbraw/zinc/58/00/00/810580000.db2.gz BFZDUFOJRQZNFL-UHFFFAOYSA-N 0 3 299.418 2.391 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](CC)[C@@H]1CCCCO1 ZINC001122053271 815381443 /nfs/dbraw/zinc/38/14/43/815381443.db2.gz ANFLBJQVRDKMGQ-IHRRRGAJSA-N 0 3 268.401 2.134 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C[C@@H](C)C3CC3)C[C@@H]21 ZINC001085102801 810596463 /nfs/dbraw/zinc/59/64/63/810596463.db2.gz WXGWNDBWDZAOMT-OIISXLGYSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@H](c2nccs2)C1 ZINC001122127324 815386362 /nfs/dbraw/zinc/38/63/62/815386362.db2.gz BPNFQIPPGGSFMV-NWDGAFQWSA-N 0 3 279.409 2.143 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(CCCC)cc2)C1 ZINC001019113958 810678389 /nfs/dbraw/zinc/67/83/89/810678389.db2.gz OCPVCADMUVFSLK-KRWDZBQOSA-N 0 3 284.403 2.467 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C2(c3cc(C)cc(C)c3)CC2)C1 ZINC001019782122 810739243 /nfs/dbraw/zinc/73/92/43/810739243.db2.gz DSGLEBUEZLDGBU-KRWDZBQOSA-N 0 3 296.414 2.159 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2c(CC)oc3ccccc32)C1 ZINC001019826516 810743539 /nfs/dbraw/zinc/74/35/39/810743539.db2.gz NGRIICUDPOKGAA-ZDUSSCGKSA-N 0 3 296.370 2.433 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)CC2CCC(C)(C)CC2)C1 ZINC001019895082 810746501 /nfs/dbraw/zinc/74/65/01/810746501.db2.gz SCGYRJUVUABOIK-HNNXBMFYSA-N 0 3 276.424 2.417 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccoc1C ZINC001085477084 810780153 /nfs/dbraw/zinc/78/01/53/810780153.db2.gz PWRLEVIDFVFEFY-ZDUSSCGKSA-N 0 3 262.353 2.310 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ncoc1C ZINC001085508932 810796917 /nfs/dbraw/zinc/79/69/17/810796917.db2.gz LHZJWLGLIJYXOA-CYBMUJFWSA-N 0 3 277.368 2.096 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cscn1 ZINC001085516374 810802391 /nfs/dbraw/zinc/80/23/91/810802391.db2.gz TWQHWDHXYCZAPW-GFCCVEGCSA-N 0 3 279.409 2.256 20 30 CEEDHN CC[C@@H](C)OCC[C@H](C)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001172349922 815400211 /nfs/dbraw/zinc/40/02/11/815400211.db2.gz NEULXUQOCDUMOU-RVMXOQNASA-N 0 3 274.405 2.090 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)sn1 ZINC001085566841 810831214 /nfs/dbraw/zinc/83/12/14/810831214.db2.gz SSLOZADUPIAUGJ-LBPRGKRZSA-N 0 3 279.409 2.174 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001038418293 810835663 /nfs/dbraw/zinc/83/56/63/810835663.db2.gz QRVREUQTMZXPFQ-NPCAHTBFSA-N 0 3 262.397 2.333 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC1(F)F ZINC001085587074 810840212 /nfs/dbraw/zinc/84/02/12/810840212.db2.gz IJFHPVPHRVYAJB-RYUDHWBXSA-N 0 3 272.339 2.141 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1[nH]nc2ccc(C)cc21 ZINC001038458873 810845155 /nfs/dbraw/zinc/84/51/55/810845155.db2.gz YANTYQUYBKZKGZ-CYBMUJFWSA-N 0 3 298.390 2.252 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001038478237 810846160 /nfs/dbraw/zinc/84/61/60/810846160.db2.gz BGAKBJXVFIHCFF-HNNXBMFYSA-N 0 3 288.391 2.384 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)C[C@@H]1CCN1CC(C)C ZINC001085640615 810862466 /nfs/dbraw/zinc/86/24/66/810862466.db2.gz QASYKTNNOBKMGE-HNNXBMFYSA-N 0 3 289.423 2.476 20 30 CEEDHN C[C@H]1COC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000829430978 810869718 /nfs/dbraw/zinc/86/97/18/810869718.db2.gz FGEBPGTWDSDMBQ-ZANVPECISA-N 0 3 250.729 2.336 20 30 CEEDHN C=CCN1CC[C@H]1CN(C)C(=O)c1[nH]nc2ccc(C)cc21 ZINC001085694798 810878846 /nfs/dbraw/zinc/87/88/46/810878846.db2.gz QCQIPJBDHXXAIG-ZDUSSCGKSA-N 0 3 298.390 2.204 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001038798273 810918474 /nfs/dbraw/zinc/91/84/74/810918474.db2.gz MYHQQDVPIRIIMM-SOUVJXGZSA-N 0 3 262.397 2.189 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ocnc1CC ZINC001085808597 810924639 /nfs/dbraw/zinc/92/46/39/810924639.db2.gz IMMUMMSABNKXKL-ZDUSSCGKSA-N 0 3 291.395 2.350 20 30 CEEDHN C=CCN1CC[C@H]1CN(C)C(=O)c1cccc2[nH]c(C)nc21 ZINC001085911204 810966923 /nfs/dbraw/zinc/96/69/23/810966923.db2.gz XZUFPBZSTUBJDC-ZDUSSCGKSA-N 0 3 298.390 2.204 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(OC)c1 ZINC001085942681 810978800 /nfs/dbraw/zinc/97/88/00/810978800.db2.gz NTFSVAXORGQSNW-OAHLLOKOSA-N 0 3 288.391 2.418 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1[C@H](OCC)[C@H]1C ZINC001122441731 815412537 /nfs/dbraw/zinc/41/25/37/815412537.db2.gz GOPFGRNKQVZEEY-SFDCQRBFSA-N 0 3 294.395 2.063 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c[nH]c2ncccc12 ZINC001085979245 810992623 /nfs/dbraw/zinc/99/26/23/810992623.db2.gz NJMOHCUIPXYXGV-ZDUSSCGKSA-N 0 3 298.390 2.285 20 30 CEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CCC2)C1 ZINC001039178297 810992970 /nfs/dbraw/zinc/99/29/70/810992970.db2.gz OCHUWMSLXXDMHU-CVEARBPZSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nc1 ZINC001039333946 811011092 /nfs/dbraw/zinc/01/10/92/811011092.db2.gz UQOJPCOSUGJJSW-SJORKVTESA-N 0 3 297.402 2.092 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCOC1 ZINC001039346219 811013908 /nfs/dbraw/zinc/01/39/08/811013908.db2.gz JZBYKZVJVDVAIJ-XHSDSOJGSA-N 0 3 292.423 2.054 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCOC1 ZINC001039349665 811014294 /nfs/dbraw/zinc/01/42/94/811014294.db2.gz IKXQBFDGILTCFR-OAGGEKHMSA-N 0 3 292.423 2.054 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccoc1 ZINC001039364945 811016986 /nfs/dbraw/zinc/01/69/86/811016986.db2.gz LVKJVUCKIDDTHD-CVEARBPZSA-N 0 3 288.391 2.464 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C#N)c1 ZINC001039366213 811018899 /nfs/dbraw/zinc/01/88/99/811018899.db2.gz URMQUSFBFWUDKB-CVEARBPZSA-N 0 3 298.390 2.141 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(CC2)C1 ZINC001039435269 811030834 /nfs/dbraw/zinc/03/08/34/811030834.db2.gz GEEZEIJSSLAGPY-CVEARBPZSA-N 0 3 286.419 2.265 20 30 CEEDHN C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039530455 811049630 /nfs/dbraw/zinc/04/96/30/811049630.db2.gz UXOURCQQBPBDFB-AEGPPILISA-N 0 3 275.396 2.011 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC001040038720 811076741 /nfs/dbraw/zinc/07/67/41/811076741.db2.gz ZXVKYNXQGCNIOL-KRWDZBQOSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@H](C)C3CCC3)C2)C1 ZINC001040262274 811100882 /nfs/dbraw/zinc/10/08/82/811100882.db2.gz RGWMODLSSAWLKR-QAPCUYQASA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccnc(F)c2)C1 ZINC001086321373 811102126 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ZINC001041409830 811164433 /nfs/dbraw/zinc/16/44/33/811164433.db2.gz SFYXMSMUUDLCBM-YOEHRIQHSA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@H]3CCCC34CC4)C2)C1 ZINC001041409285 811164685 /nfs/dbraw/zinc/16/46/85/811164685.db2.gz XJTIQHQIZBVYNQ-NVXWUHKLSA-N 0 3 286.419 2.124 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)C(C)(C)C3CC3)C2)C1 ZINC001041588353 811180100 /nfs/dbraw/zinc/18/01/00/811180100.db2.gz WPTRQNLVCOHRJT-SFHVURJKSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)C=C3CCC3)C[C@H]21 ZINC001042009841 811232005 /nfs/dbraw/zinc/23/20/05/811232005.db2.gz IDPRGGOCPNIODK-JKSUJKDBSA-N 0 3 272.392 2.043 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C=C3CCC3)C[C@@H]21 ZINC001042009831 811233230 /nfs/dbraw/zinc/23/32/30/811233230.db2.gz IDPRGGOCPNIODK-CVEARBPZSA-N 0 3 272.392 2.043 20 30 CEEDHN C#CCN1CC[C@@H]2CCN(C(=O)CC(C)(C)C3CC3)C[C@@H]21 ZINC001042046503 811237884 /nfs/dbraw/zinc/23/78/84/811237884.db2.gz MGQNXHQBMKFMRG-ZBFHGGJFSA-N 0 3 288.435 2.369 20 30 CEEDHN 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ZINC001148250054 814540766 /nfs/dbraw/zinc/54/07/66/814540766.db2.gz SFZUWCYLCRKFHY-UHFFFAOYSA-N 0 3 286.419 2.290 20 30 CEEDHN C=CCN1CC=C(CCNC(=O)[C@H](CC(C)C)OC)CC1 ZINC001161148248 814604889 /nfs/dbraw/zinc/60/48/89/814604889.db2.gz HWBILIQZFITELF-INIZCTEOSA-N 0 3 294.439 2.372 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)c3ccoc3)C2)CC1 ZINC001086902333 814646233 /nfs/dbraw/zinc/64/62/33/814646233.db2.gz BMFKDAQOXAOPEK-CQSZACIVSA-N 0 3 286.375 2.229 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)c3ccco3)C2)CC1 ZINC001086898885 814646388 /nfs/dbraw/zinc/64/63/88/814646388.db2.gz VDIOQAUOCZFNHB-AWEZNQCLSA-N 0 3 286.375 2.229 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC3(C)C)C2)CC1 ZINC001086917707 814649819 /nfs/dbraw/zinc/64/98/19/814649819.db2.gz RVOQWJJBYRAKSO-GJZGRUSLSA-N 0 3 288.435 2.369 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC34CC4)C2)CC1 ZINC001086945063 814653242 /nfs/dbraw/zinc/65/32/42/814653242.db2.gz QJAQSUOMIDHRQC-HUUCEWRRSA-N 0 3 286.419 2.123 20 30 CEEDHN Cc1cc2cc(N[C@@H]3C(=O)N(O)C[C@@H]3C)ccc2cn1 ZINC001171368762 814674553 /nfs/dbraw/zinc/67/45/53/814674553.db2.gz LYDMKSNOMNVCNX-XPTSAGLGSA-N 0 3 271.320 2.191 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C(C)(C)C(C)(C)C)C[C@]2(C)C1 ZINC001091913104 814675884 /nfs/dbraw/zinc/67/58/84/814675884.db2.gz RUEKCJLETMATPS-KDOFPFPSSA-N 0 3 290.451 2.472 20 30 CEEDHN C=CCCNC(=S)N1CCN(C2CCCCC2)CC1 ZINC001247594593 814730699 /nfs/dbraw/zinc/73/06/99/814730699.db2.gz BPKLTOMPZFAZMX-UHFFFAOYSA-N 0 3 281.469 2.387 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2cccc3[nH]ccc32)[C@H](C)C1 ZINC001092991764 814761776 /nfs/dbraw/zinc/76/17/76/814761776.db2.gz SWDNWNRCTRUFBH-ZIAGYGMSSA-N 0 3 295.386 2.099 20 30 CEEDHN N#CC[C@H]1CCCN(C[C@@H]2CC3(CO2)CCOCC3)C1 ZINC000712688501 814762205 /nfs/dbraw/zinc/76/22/05/814762205.db2.gz KEPQAGZQZJWJOQ-CABCVRRESA-N 0 3 278.396 2.198 20 30 CEEDHN C#CCCOc1ccc(CN[C@H](C=C)COC)cc1 ZINC001116643034 814871735 /nfs/dbraw/zinc/87/17/35/814871735.db2.gz HALWNMWMBPRDNX-OAHLLOKOSA-N 0 3 259.349 2.379 20 30 CEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC)CC1 ZINC001093349868 814910182 /nfs/dbraw/zinc/91/01/82/814910182.db2.gz YGLYTZORRSZKKL-INIZCTEOSA-N 0 3 274.408 2.123 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)F)C2 ZINC001095093082 815654383 /nfs/dbraw/zinc/65/43/83/815654383.db2.gz CJBJEKGEZSUGTG-WOPDTQHZSA-N 0 3 254.349 2.032 20 30 CEEDHN COc1ccc(CN2CCN(CC(C)C)CC2)c(C#N)c1 ZINC001137699268 815668416 /nfs/dbraw/zinc/66/84/16/815668416.db2.gz BHLSEPBMHSHIKK-UHFFFAOYSA-N 0 3 287.407 2.340 20 30 CEEDHN CC[C@@H]1CC[C@H](N2CCC(C#N)(C(=O)OC)CC2)C1 ZINC001173285688 815670773 /nfs/dbraw/zinc/67/07/73/815670773.db2.gz XHQCAMCRXSEULM-OLZOCXBDSA-N 0 3 264.369 2.344 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C)s1)C2 ZINC001095228099 815755258 /nfs/dbraw/zinc/75/52/58/815755258.db2.gz LFXWWGSTYULNGM-AGIUHOORSA-N 0 3 291.420 2.363 20 30 CEEDHN Cc1ccnc(N2CCN(C3CCC(C)(C#N)CC3)CC2)n1 ZINC001173597532 815756968 /nfs/dbraw/zinc/75/69/68/815756968.db2.gz XQHPMYAAIRJNMJ-UHFFFAOYSA-N 0 3 299.422 2.380 20 30 CEEDHN CC#CCN1CC=C(CCNC(=O)c2ccn(C)c2C)CC1 ZINC001161181506 815760635 /nfs/dbraw/zinc/76/06/35/815760635.db2.gz OTUWAZVFASPYOE-UHFFFAOYSA-N 0 3 299.418 2.109 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c1[O-] ZINC001138625650 815845504 /nfs/dbraw/zinc/84/55/04/815845504.db2.gz RNYRMXZINBXSEK-ZIAGYGMSSA-N 0 3 265.328 2.025 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c1[O-] ZINC001138625650 815845511 /nfs/dbraw/zinc/84/55/11/815845511.db2.gz RNYRMXZINBXSEK-ZIAGYGMSSA-N 0 3 265.328 2.025 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@H](O)C[C@H]2C)c1[O-] ZINC001138628322 815848806 /nfs/dbraw/zinc/84/88/06/815848806.db2.gz SEIURGYSBJDQEX-DOMZBBRYSA-N 0 3 261.365 2.466 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@H](O)C[C@H]2C)c1[O-] ZINC001138628322 815848817 /nfs/dbraw/zinc/84/88/17/815848817.db2.gz SEIURGYSBJDQEX-DOMZBBRYSA-N 0 3 261.365 2.466 20 30 CEEDHN N#CC[C@H]1CCCN(Cc2ccc(OCCO)cc2)C1 ZINC001138797830 815902781 /nfs/dbraw/zinc/90/27/81/815902781.db2.gz GZUFUJNVOQSGOZ-CQSZACIVSA-N 0 3 274.364 2.183 20 30 CEEDHN CCC1(CN2CCc3cc(C#N)ccc3C2)COC1 ZINC001202926367 816013238 /nfs/dbraw/zinc/01/32/38/816013238.db2.gz JKPBEOZITLTGNH-UHFFFAOYSA-N 0 3 256.349 2.343 20 30 CEEDHN CNC(=O)c1cc(C#N)cc(C)c1Nc1ccncc1C ZINC001174538473 816025328 /nfs/dbraw/zinc/02/53/28/816025328.db2.gz GITFPMOBPSBMSE-UHFFFAOYSA-N 0 3 280.331 2.095 20 30 CEEDHN COC(=O)c1cc(C#N)cc(Nc2ccncc2C)c1 ZINC001174538917 816027365 /nfs/dbraw/zinc/02/73/65/816027365.db2.gz RWYQKECGKJYPGD-UHFFFAOYSA-N 0 3 267.288 2.214 20 30 CEEDHN Cc1ccc(CN2CC[C@@H](F)[C@@H](O)CC2)cc1C#N ZINC001139722966 816094990 /nfs/dbraw/zinc/09/49/90/816094990.db2.gz MSFHFPSMLOAKFR-CABCVRRESA-N 0 3 262.328 2.162 20 30 CEEDHN C[Si](C)(CN1CCC[C@H](C#N)C1)c1ccccc1 ZINC001176000178 816318589 /nfs/dbraw/zinc/31/85/89/816318589.db2.gz SSXQYUHFGDZNND-CQSZACIVSA-N 0 3 258.441 2.377 20 30 CEEDHN C=CCCCNC(=O)C1CCN(Cc2ccncc2)CC1 ZINC001142347393 816662628 /nfs/dbraw/zinc/66/26/28/816662628.db2.gz FJMYSYAORCKKFN-UHFFFAOYSA-N 0 3 287.407 2.376 20 30 CEEDHN CC(=O)N[C@H]1CCCN(Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142921082 816755756 /nfs/dbraw/zinc/75/57/56/816755756.db2.gz GDAHDBMCIWRLGG-HNNXBMFYSA-N 0 3 296.374 2.140 20 30 CEEDHN C#CCCCCC(=O)N1CC[C@H](NCc2cccnc2)[C@@H]1C ZINC001178503553 816761983 /nfs/dbraw/zinc/76/19/83/816761983.db2.gz FJHYWVNIEURKBA-RDJZCZTQSA-N 0 3 299.418 2.354 20 30 CEEDHN CCCCCCCCCCN(C)C(=O)[C@@H]1CNCCN1C ZINC001161226151 816811170 /nfs/dbraw/zinc/81/11/70/816811170.db2.gz FUOSDEVDFWECCN-INIZCTEOSA-N 0 3 297.487 2.489 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H]2C(F)F)cc1 ZINC000601603740 346858399 /nfs/dbraw/zinc/85/83/99/346858399.db2.gz MGBBELDPYISDNB-QWHCGFSZSA-N 0 3 289.285 2.107 20 30 CEEDHN C=CCOc1ccc(CN[C@@H]2CCCCNC2=O)cc1 ZINC000036976587 361877200 /nfs/dbraw/zinc/87/72/00/361877200.db2.gz GYKOASNBSFKMIF-OAHLLOKOSA-N 0 3 274.364 2.010 20 30 CEEDHN C[C@H](Cn1ccnc1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037157779 361900420 /nfs/dbraw/zinc/90/04/20/361900420.db2.gz UGNWNMXXYHOGEP-OLZOCXBDSA-N 0 3 254.337 2.494 20 30 CEEDHN COC1CCN(CCNc2ccc(Cl)c(C#N)n2)CC1 ZINC000080250065 344005003 /nfs/dbraw/zinc/00/50/03/344005003.db2.gz ZGCPFTWLTZLHTO-UHFFFAOYSA-N 0 3 294.786 2.129 20 30 CEEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC1CC1 ZINC000037903928 361962645 /nfs/dbraw/zinc/96/26/45/361962645.db2.gz QVIDNPYILQOOPC-NSHDSACASA-N 0 3 257.337 2.227 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601664054 346872573 /nfs/dbraw/zinc/87/25/73/346872573.db2.gz HBMIAOSYCQSVHY-LBPRGKRZSA-N 0 3 275.396 2.059 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000668451125 539177485 /nfs/dbraw/zinc/17/74/85/539177485.db2.gz MLTRSTFXZGBWTI-INIZCTEOSA-N 0 3 298.390 2.365 20 30 CEEDHN C=CCc1cc(CN(C)CC2CN(C)C2)cc(OC)c1O ZINC000668539771 539193454 /nfs/dbraw/zinc/19/34/54/539193454.db2.gz LOVKTSQLYJKYLG-UHFFFAOYSA-N 0 3 290.407 2.123 20 30 CEEDHN CN(C)CCN(C)c1c(C#N)cnc2c(F)cc(F)cc21 ZINC000080685354 344020559 /nfs/dbraw/zinc/02/05/59/344020559.db2.gz BODZJCMZBQYFMC-UHFFFAOYSA-N 0 3 290.317 2.382 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC000601853509 346917215 /nfs/dbraw/zinc/91/72/15/346917215.db2.gz WWNCECCDTCVPHO-CVEARBPZSA-N 0 3 285.391 2.235 20 30 CEEDHN C=CCN(CC=C)C(=O)CN([C@@H](C)C1CC1)C1CC1 ZINC000042123159 362060514 /nfs/dbraw/zinc/06/05/14/362060514.db2.gz SSUTXLUKBTVJQZ-ZDUSSCGKSA-N 0 3 262.397 2.450 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)COCCC)C(C)C ZINC000299271944 260178885 /nfs/dbraw/zinc/17/88/85/260178885.db2.gz XLEZSNYGPNWKQE-OAHLLOKOSA-N 0 3 282.428 2.228 20 30 CEEDHN CC(C#N)S(=O)(=O)c1ccc(Br)cc1 ZINC000043522879 362147111 /nfs/dbraw/zinc/14/71/11/362147111.db2.gz MXNLHQRTIWSZFQ-SSDOTTSWSA-N 0 3 274.139 2.135 20 30 CEEDHN CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC(C)C ZINC000046064686 362174247 /nfs/dbraw/zinc/17/42/47/362174247.db2.gz XGVFUVADSFYJGN-AWEZNQCLSA-N 0 3 253.390 2.019 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)c1cccc(CC#N)c1 ZINC000044533124 343474304 /nfs/dbraw/zinc/47/43/04/343474304.db2.gz MEQUGWSVBMFNGT-CQSZACIVSA-N 0 3 285.391 2.357 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CC(c2ccccc2)C1 ZINC000601963637 346944535 /nfs/dbraw/zinc/94/45/35/346944535.db2.gz LLGNSVRKPFQJDZ-HNNXBMFYSA-N 0 3 258.365 2.387 20 30 CEEDHN CN(CC(=O)N[C@@](C)(C#N)C1CC1)CC1CCCCC1 ZINC000043999977 343468052 /nfs/dbraw/zinc/46/80/52/343468052.db2.gz VOVNONMHSDIBPO-INIZCTEOSA-N 0 3 277.412 2.307 20 30 CEEDHN C=CCNC(=O)CN(C)CC12CC3CC(CC(C3)C1)C2 ZINC000052798815 343565408 /nfs/dbraw/zinc/56/54/08/343565408.db2.gz HRSBGALIFQMHDB-UHFFFAOYSA-N 0 3 276.424 2.437 20 30 CEEDHN N#Cc1c(F)cccc1CNCCCCn1ccnc1 ZINC000602008201 346957032 /nfs/dbraw/zinc/95/70/32/346957032.db2.gz RUOLKWLTIICUSB-UHFFFAOYSA-N 0 3 272.327 2.464 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(C)CCCC2)CC1 ZINC000067305211 343733870 /nfs/dbraw/zinc/73/38/70/343733870.db2.gz IEIWBSDVUJYUCG-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN CN(CC(=O)N[C@@H](C#N)c1ccc(F)cc1)CC(C)(C)C ZINC000602060012 346967049 /nfs/dbraw/zinc/96/70/49/346967049.db2.gz YACVNHOLTVTXOD-AWEZNQCLSA-N 0 3 291.370 2.484 20 30 CEEDHN CC(C)C[C@@H](C#N)NC(=O)CN(C)CC(C)(C)C ZINC000602089428 346971059 /nfs/dbraw/zinc/97/10/59/346971059.db2.gz GCJCDYJRDBDYEF-LBPRGKRZSA-N 0 3 253.390 2.019 20 30 CEEDHN CN(CC(=O)N(CCC#N)CC1CC1)CC(C)(C)C ZINC000602091597 346971952 /nfs/dbraw/zinc/97/19/52/346971952.db2.gz LRCOQANFWKXNCP-UHFFFAOYSA-N 0 3 265.401 2.117 20 30 CEEDHN C[C@H]1C[C@H](Nc2cnc(C#N)cn2)CN1Cc1ccccc1 ZINC000126982019 187275251 /nfs/dbraw/zinc/27/52/51/187275251.db2.gz VMAKUJQFWLSTIU-ZFWWWQNUSA-N 0 3 293.374 2.423 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412263436 529902536 /nfs/dbraw/zinc/90/25/36/529902536.db2.gz YEMGEICDJYUJMJ-DLBZAZTESA-N 0 3 297.402 2.214 20 30 CEEDHN CCN(CCC#N)C(=O)CN(C)CC1CCCCC1 ZINC000076875013 343901731 /nfs/dbraw/zinc/90/17/31/343901731.db2.gz OBCWEZBNSHQLTJ-UHFFFAOYSA-N 0 3 265.401 2.261 20 30 CEEDHN CN(Cc1ccccc1)[C@@H]1CCN(c2nccnc2C#N)C1 ZINC000078506610 343955414 /nfs/dbraw/zinc/95/54/14/343955414.db2.gz ILXMYCGAEDPWIJ-OAHLLOKOSA-N 0 3 293.374 2.059 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)c2cccs2)cc1 ZINC000048520272 362281603 /nfs/dbraw/zinc/28/16/03/362281603.db2.gz UZKZMMRSZCMWLG-UHFFFAOYSA-N 0 3 285.372 2.139 20 30 CEEDHN C#CCN(Cc1c[nH]c(C(=O)OC)c1)C1CCCC1 ZINC000093819804 344230678 /nfs/dbraw/zinc/23/06/78/344230678.db2.gz QVVATOWAXHIZEL-UHFFFAOYSA-N 0 3 260.337 2.179 20 30 CEEDHN C[C@@H](CCC#N)CN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000602440946 347033248 /nfs/dbraw/zinc/03/32/48/347033248.db2.gz KEHOIYHHJYBFCF-DZGCQCFKSA-N 0 3 289.379 2.300 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)NCc1ccc(C#N)cc1F ZINC000105600820 344256438 /nfs/dbraw/zinc/25/64/38/344256438.db2.gz AFILZRSQLSOHAH-HNNXBMFYSA-N 0 3 289.354 2.188 20 30 CEEDHN Cc1ccc(NC(=O)CCNCc2ccc(C#N)cc2)nc1 ZINC000113353598 344276994 /nfs/dbraw/zinc/27/69/94/344276994.db2.gz JFYQUPHRPFTNIC-UHFFFAOYSA-N 0 3 294.358 2.380 20 30 CEEDHN COC1CCC(N(C)Cc2cccc(C#N)n2)CC1 ZINC000602469435 347045793 /nfs/dbraw/zinc/04/57/93/347045793.db2.gz SORMQYIVJCZCDS-UHFFFAOYSA-N 0 3 259.353 2.343 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNc1ccc(C#N)nn1)C(C)C ZINC000122581608 344307051 /nfs/dbraw/zinc/30/70/51/344307051.db2.gz KJMJVSGQKXLUPG-HNNXBMFYSA-N 0 3 285.395 2.459 20 30 CEEDHN CCN(Cc1ccc(C(=O)NC2(C#N)CC2)cc1)C1CC1 ZINC000160784602 344461023 /nfs/dbraw/zinc/46/10/23/344461023.db2.gz RDHBCWHWRFGHDU-UHFFFAOYSA-N 0 3 283.375 2.457 20 30 CEEDHN C[C@@H](CCC#N)CN(C)CC(=O)NCc1ccccc1 ZINC000602478937 347052324 /nfs/dbraw/zinc/05/23/24/347052324.db2.gz VLVVWUNTPHKXAF-AWEZNQCLSA-N 0 3 273.380 2.174 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCS[C@H](C)CC2)CC1 ZINC000192251429 344516643 /nfs/dbraw/zinc/51/66/43/344516643.db2.gz GKUBWFOEKICDOM-CYBMUJFWSA-N 0 3 297.468 2.174 20 30 CEEDHN CN1CCC[C@H](CNc2nccc(C#N)c2Cl)C1 ZINC000234350558 344584327 /nfs/dbraw/zinc/58/43/27/344584327.db2.gz MATQZIADXFRVLE-SNVBAGLBSA-N 0 3 264.760 2.360 20 30 CEEDHN C[C@H]1CCCN(C(=O)C2CCN(CCCC#N)CC2)C1 ZINC000051922680 362450733 /nfs/dbraw/zinc/45/07/33/362450733.db2.gz PAWUBJOQQCDREF-AWEZNQCLSA-N 0 3 277.412 2.261 20 30 CEEDHN CO[C@@H](CNCc1cccc(C#N)c1)C1CCOCC1 ZINC000602508515 347060869 /nfs/dbraw/zinc/06/08/69/347060869.db2.gz NBEQEYAYQYUATF-INIZCTEOSA-N 0 3 274.364 2.089 20 30 CEEDHN C[C@@H](CCC#N)CN[C@@H](C)c1nnc2ccccn21 ZINC000602510888 347061954 /nfs/dbraw/zinc/06/19/54/347061954.db2.gz GPJUDTHBTYVNLT-RYUDHWBXSA-N 0 3 257.341 2.320 20 30 CEEDHN CN(Cc1ccoc1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348124718 530012671 /nfs/dbraw/zinc/01/26/71/530012671.db2.gz SZZBEANLOUUSBA-INIZCTEOSA-N 0 3 293.326 2.492 20 30 CEEDHN CCc1nc(C#N)cc(NCCN(C)Cc2ccccc2)n1 ZINC000308164872 344726294 /nfs/dbraw/zinc/72/62/94/344726294.db2.gz FTUQTKRQOIXYGA-UHFFFAOYSA-N 0 3 295.390 2.455 20 30 CEEDHN COc1cccc2c1OC[C@H](NCc1cccc(C#N)n1)C2 ZINC000602535771 347069212 /nfs/dbraw/zinc/06/92/12/347069212.db2.gz SGHVAVRNLPOFEL-OAHLLOKOSA-N 0 3 295.342 2.055 20 30 CEEDHN C[C@H](O)[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000305154267 344709570 /nfs/dbraw/zinc/70/95/70/344709570.db2.gz BNGFVRLJEXLHAT-DZGCQCFKSA-N 0 3 274.364 2.030 20 30 CEEDHN CC[C@H](C)CN(C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000343480690 344773120 /nfs/dbraw/zinc/77/31/20/344773120.db2.gz KOZLKFNIGIIZCZ-GUTXKFCHSA-N 0 3 267.417 2.407 20 30 CEEDHN CN1CCC[C@@H]1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000356096875 530057199 /nfs/dbraw/zinc/05/71/99/530057199.db2.gz OFMIPUNSUHAFRP-HZPDHXFCSA-N 0 3 285.391 2.284 20 30 CEEDHN N#Cc1cccc(CNCC2(O)CCCCCC2)n1 ZINC000602554563 347074746 /nfs/dbraw/zinc/07/47/46/347074746.db2.gz BDTHRKUJRCJZBJ-UHFFFAOYSA-N 0 3 259.353 2.128 20 30 CEEDHN C[C@@H](CCC#N)CN[C@H]1CCN(c2ccccc2F)C1=O ZINC000602560058 347077443 /nfs/dbraw/zinc/07/74/43/347077443.db2.gz AXGNEBQMXKDBAX-JSGCOSHPSA-N 0 3 289.354 2.460 20 30 CEEDHN COc1cc(CN2CCC(CCO)CC2)ccc1C#N ZINC000401070331 344865784 /nfs/dbraw/zinc/86/57/84/344865784.db2.gz JZDZYCKDHYMHOV-UHFFFAOYSA-N 0 3 274.364 2.161 20 30 CEEDHN C=C(CC)CNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418253414 344893397 /nfs/dbraw/zinc/89/33/97/344893397.db2.gz AECOSORTJGYVON-HNNXBMFYSA-N 0 3 273.380 2.139 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccccc1Cl)C1COC1 ZINC000519619961 344927487 /nfs/dbraw/zinc/92/74/87/344927487.db2.gz WZNIYIJLXLSTLC-JTQLQIEISA-N 0 3 278.739 2.227 20 30 CEEDHN C=CCn1cc(CNC2CCC3(CCCO3)CC2)nn1 ZINC000584585083 344959383 /nfs/dbraw/zinc/95/93/83/344959383.db2.gz LKGQPQRMEINZLI-UHFFFAOYSA-N 0 3 276.384 2.046 20 30 CEEDHN C[C@H](NC(=O)N1CCN2CCC1CC2)c1cccc(C#N)c1 ZINC000585745342 345012722 /nfs/dbraw/zinc/01/27/22/345012722.db2.gz DGALKLWVKJFHNQ-ZDUSSCGKSA-N 0 3 298.390 2.109 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)CCCCCC#N)CN1C1CC1 ZINC000588639551 345048513 /nfs/dbraw/zinc/04/85/13/345048513.db2.gz LUPYUUZKCWAAPM-STQMWFEESA-N 0 3 263.385 2.202 20 30 CEEDHN CCN1CCC(N(C)C(=O)CCCCCC#N)CC1 ZINC000588751104 345053797 /nfs/dbraw/zinc/05/37/97/345053797.db2.gz UXBXAVSOMZDPRL-UHFFFAOYSA-N 0 3 265.401 2.403 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)CCCCCC#N ZINC000588265570 345044180 /nfs/dbraw/zinc/04/41/80/345044180.db2.gz MGZBNPIGLXBSKU-ZDUSSCGKSA-N 0 3 251.374 2.061 20 30 CEEDHN CSC1(CNC(=O)CCCCCC#N)CCN(C)CC1 ZINC000589477756 345083685 /nfs/dbraw/zinc/08/36/85/345083685.db2.gz NALBTYHBUWSPQG-UHFFFAOYSA-N 0 3 297.468 2.404 20 30 CEEDHN CN(C)[C@@H](CNC(=O)CC1(C#N)CC1)c1ccccc1 ZINC000590126828 345116062 /nfs/dbraw/zinc/11/60/62/345116062.db2.gz PECRLINDASEVEY-AWEZNQCLSA-N 0 3 271.364 2.099 20 30 CEEDHN CN(C)Cc1ccccc1CNC(=O)CC1(C#N)CC1 ZINC000590130533 345116414 /nfs/dbraw/zinc/11/64/14/345116414.db2.gz JZMPFTJMHJVORA-UHFFFAOYSA-N 0 3 271.364 2.058 20 30 CEEDHN N#CC1(CC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000590186748 345120662 /nfs/dbraw/zinc/12/06/62/345120662.db2.gz XFUGAXHWLLILIJ-UHFFFAOYSA-N 0 3 289.423 2.405 20 30 CEEDHN CN(C(=O)CCCCCC#N)[C@@H]1CN2CCC1CC2 ZINC000589837259 345100799 /nfs/dbraw/zinc/10/07/99/345100799.db2.gz RIZDOMJESKKTLS-CQSZACIVSA-N 0 3 263.385 2.013 20 30 CEEDHN N#C[C@]1(F)CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000590743702 345172791 /nfs/dbraw/zinc/17/27/91/345172791.db2.gz YJSSUISJJNOUOD-GDBMZVCRSA-N 0 3 293.386 2.248 20 30 CEEDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1C ZINC000590751893 345173744 /nfs/dbraw/zinc/17/37/44/345173744.db2.gz LALNWNAANRRGBQ-CABCVRRESA-N 0 3 272.348 2.298 20 30 CEEDHN CO[C@H]1C[C@@H](N(C)Cc2ccnc(C#N)c2)C12CCC2 ZINC000590761980 345176856 /nfs/dbraw/zinc/17/68/56/345176856.db2.gz TVKCHYIVSYAJEX-CABCVRRESA-N 0 3 271.364 2.343 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCCN(C)C2)c1 ZINC000590859067 345190550 /nfs/dbraw/zinc/19/05/50/345190550.db2.gz VFHRSAJKDFKCLA-CYBMUJFWSA-N 0 3 272.352 2.082 20 30 CEEDHN CN(C(=O)CC1(C#N)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000590304024 345126166 /nfs/dbraw/zinc/12/61/66/345126166.db2.gz ILQQIHCRYIKKRP-INIZCTEOSA-N 0 3 297.402 2.413 20 30 CEEDHN CC(C)(C)C1=CCN(CCNC(=O)CC2(C#N)CC2)CC1 ZINC000590332983 345129641 /nfs/dbraw/zinc/12/96/41/345129641.db2.gz UGYWRAXWDQLWQT-UHFFFAOYSA-N 0 3 289.423 2.475 20 30 CEEDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(CC#N)cc1 ZINC000590345000 345130545 /nfs/dbraw/zinc/13/05/45/345130545.db2.gz GNCOVNMPGFYGLQ-INIZCTEOSA-N 0 3 285.391 2.309 20 30 CEEDHN Cc1nsc(N2CCCN(C[C@@H](C)CCC#N)CC2)n1 ZINC000590594580 345149111 /nfs/dbraw/zinc/14/91/11/345149111.db2.gz SFYXMCUVAVQISP-LBPRGKRZSA-N 0 3 293.440 2.299 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cn[nH]c1 ZINC000591357566 345243797 /nfs/dbraw/zinc/24/37/97/345243797.db2.gz ONMXOTJGBZZTBM-HNNXBMFYSA-N 0 3 252.321 2.449 20 30 CEEDHN CC(C)C[C@H](C#N)NC(=O)C1CN(C2CCCCC2)C1 ZINC000590904719 345197228 /nfs/dbraw/zinc/19/72/28/345197228.db2.gz OWMSRYPEANNYPN-CQSZACIVSA-N 0 3 277.412 2.305 20 30 CEEDHN C[C@H](NC(=O)NC(C)(C)CN(C)C)c1cccc(C#N)c1 ZINC000590927570 345201067 /nfs/dbraw/zinc/20/10/67/345201067.db2.gz IWLLJOXLUUURAK-LBPRGKRZSA-N 0 3 288.395 2.259 20 30 CEEDHN N#C[C@@]1(F)CCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000590956979 345205253 /nfs/dbraw/zinc/20/52/53/345205253.db2.gz DMNZVNHHDKETGF-CVEARBPZSA-N 0 3 273.355 2.198 20 30 CEEDHN C[C@@H](C#N)N(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000590993835 345210196 /nfs/dbraw/zinc/21/01/96/345210196.db2.gz DXSMPTWGILJQJL-AWEZNQCLSA-N 0 3 285.391 2.269 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](C2CCC2)C1 ZINC000591062124 345214939 /nfs/dbraw/zinc/21/49/39/345214939.db2.gz WUZSSOWVKLWMEY-GDBMZVCRSA-N 0 3 277.412 2.163 20 30 CEEDHN CN1CC[C@@H](NCc2ccncc2C#N)[C@H]1c1ccccc1 ZINC000592119849 345324264 /nfs/dbraw/zinc/32/42/64/345324264.db2.gz AVRDOUMCAWDIHH-QZTJIDSGSA-N 0 3 292.386 2.488 20 30 CEEDHN CC(C)NC(=O)[C@@H]1CCC[C@H](NC[C@@H](C#N)CCC#N)C1 ZINC000591742734 345276477 /nfs/dbraw/zinc/27/64/77/345276477.db2.gz BJSJRFZDVMFKDR-KFWWJZLASA-N 0 3 290.411 2.103 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@H]1CCc2cc(O)ccc2C1 ZINC000591763553 345278179 /nfs/dbraw/zinc/27/81/79/345278179.db2.gz DUJKWTXUOGVUSI-DOMZBBRYSA-N 0 3 269.348 2.283 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)CCn1ccccc1=O ZINC000591852974 345288332 /nfs/dbraw/zinc/28/83/32/345288332.db2.gz IUCJUGJRBVFCQM-CQSZACIVSA-N 0 3 281.359 2.413 20 30 CEEDHN N#CC1(NC(=O)CN2CCCC[C@H]2C2CCC2)CCC1 ZINC000592197921 345336834 /nfs/dbraw/zinc/33/68/34/345336834.db2.gz FVMCPYQJBVYSLA-AWEZNQCLSA-N 0 3 275.396 2.203 20 30 CEEDHN C=CCOc1ccccc1CN1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000592516517 345363789 /nfs/dbraw/zinc/36/37/89/345363789.db2.gz PNMAGSUSUGAHGZ-UKRRQHHQSA-N 0 3 289.375 2.492 20 30 CEEDHN Cc1ccc2cc(CN3CC[C@](O)(CC#N)C3)ccc2n1 ZINC000592522779 345365507 /nfs/dbraw/zinc/36/55/07/345365507.db2.gz RUSBNUNEBKOXJP-QGZVFWFLSA-N 0 3 281.359 2.394 20 30 CEEDHN Cc1ccccc1C1(NC(=O)[C@H](N)CCCC#N)CC1 ZINC000592568172 345370126 /nfs/dbraw/zinc/37/01/26/345370126.db2.gz AEUNTLYVLLJXDQ-CQSZACIVSA-N 0 3 271.364 2.122 20 30 CEEDHN N#CCc1ccc(CN2CCC(C3(O)CC3)CC2)cc1 ZINC000593046368 345428048 /nfs/dbraw/zinc/42/80/48/345428048.db2.gz ZQDPIPFWOFAKPN-UHFFFAOYSA-N 0 3 270.376 2.490 20 30 CEEDHN CC(C)(C#N)c1ccc(CN2CCC[C@@H](O)C2)cc1 ZINC000593114861 345442554 /nfs/dbraw/zinc/44/25/54/345442554.db2.gz CRUNZSGFJFLIPG-OAHLLOKOSA-N 0 3 258.365 2.444 20 30 CEEDHN CC(C#N)C(=O)NCC[C@@H]1CSc2ccccc2O1 ZINC000592826028 345400330 /nfs/dbraw/zinc/40/03/30/345400330.db2.gz NJKLMAZSBJTOIK-GHMZBOCLSA-N 0 3 276.361 2.206 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000592827915 345400998 /nfs/dbraw/zinc/40/09/98/345400998.db2.gz UCDDLHCBEXYZHL-BBWFWOEESA-N 0 3 298.386 2.396 20 30 CEEDHN C[C@@H](CNC(=O)N1Cc2cccc(C#N)c2C1)N(C)C1CC1 ZINC000593337787 345468424 /nfs/dbraw/zinc/46/84/24/345468424.db2.gz GPOYHTOHMOSBQX-LBPRGKRZSA-N 0 3 298.390 2.066 20 30 CEEDHN CN(C)C1(CNC(=O)N2Cc3cccc(C#N)c3C2)CCC1 ZINC000593394198 345476094 /nfs/dbraw/zinc/47/60/94/345476094.db2.gz MQXCBYHXOOLOEE-UHFFFAOYSA-N 0 3 298.390 2.068 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](CC(=O)OC)c1ccc(F)cc1 ZINC000593420201 345481612 /nfs/dbraw/zinc/48/16/12/345481612.db2.gz YGADHTSFEPRTQE-GXFFZTMASA-N 0 3 292.310 2.096 20 30 CEEDHN CCCCN1CCCC[C@H]1CNC(=O)[C@H](C#N)CC ZINC000593444644 345488043 /nfs/dbraw/zinc/48/80/43/345488043.db2.gz SLHBFEORVICFGF-KBPBESRZSA-N 0 3 265.401 2.307 20 30 CEEDHN CC[C@H](C#N)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000593704773 345524519 /nfs/dbraw/zinc/52/45/19/345524519.db2.gz TUHCTFNSGPTTLA-CYBMUJFWSA-N 0 3 277.368 2.110 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)c1ccc(CC#N)cc1 ZINC000593882334 345547502 /nfs/dbraw/zinc/54/75/02/345547502.db2.gz HYLPWOMPGCQJKF-UHFFFAOYSA-N 0 3 285.391 2.311 20 30 CEEDHN CCC(C#N)C(=O)N(C)[C@H](CC)C(=O)OC(C)(C)C ZINC000593887251 345548113 /nfs/dbraw/zinc/54/81/13/345548113.db2.gz QUPFQISKRIHTAK-GHMZBOCLSA-N 0 3 268.357 2.115 20 30 CEEDHN C[C@H](c1ccccc1)[C@@H](CO)NCc1ccc(C#N)cn1 ZINC000593974414 345558849 /nfs/dbraw/zinc/55/88/49/345558849.db2.gz YRZLNISKCZFLJZ-CXAGYDPISA-N 0 3 281.359 2.207 20 30 CEEDHN CCOCC[C@@H](O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033508 345570086 /nfs/dbraw/zinc/57/00/86/345570086.db2.gz QOYYKPIUTYQIIR-MRXNPFEDSA-N 0 3 288.391 2.315 20 30 CEEDHN CCC(C#N)C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000593608583 345512665 /nfs/dbraw/zinc/51/26/65/345512665.db2.gz MSNCEZZEMVTFGA-RYUDHWBXSA-N 0 3 280.368 2.116 20 30 CEEDHN N#CC1(CNC2CCN(c3cnccn3)CC2)CCCC1 ZINC000593653408 345517259 /nfs/dbraw/zinc/51/72/59/345517259.db2.gz KETSKSVMCPLZTI-UHFFFAOYSA-N 0 3 285.395 2.119 20 30 CEEDHN C=CCOc1ccc(CNC2(CC(=O)OC)CC2)cc1 ZINC000593663452 345518146 /nfs/dbraw/zinc/51/81/46/345518146.db2.gz XNWPYDYDTZVFSN-UHFFFAOYSA-N 0 3 275.348 2.437 20 30 CEEDHN CCC(C)(C)N1CCN(C(=O)NCC2(C#N)CCC2)CC1 ZINC000594247623 345604140 /nfs/dbraw/zinc/60/41/40/345604140.db2.gz ANFYRISGEDAFHZ-UHFFFAOYSA-N 0 3 292.427 2.196 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000594253595 345605026 /nfs/dbraw/zinc/60/50/26/345605026.db2.gz RUVZVSGWGJCYGK-BBRMVZONSA-N 0 3 297.402 2.090 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCCOC1CCCCC1 ZINC000594425440 345625889 /nfs/dbraw/zinc/62/58/89/345625889.db2.gz JASQZXHFADBTLO-HNNXBMFYSA-N 0 3 295.427 2.253 20 30 CEEDHN Cc1c(F)cccc1NC(=O)[C@H](N)CCCCC#N ZINC000594426351 345626364 /nfs/dbraw/zinc/62/63/64/345626364.db2.gz CIEFYTXKUYHOLP-GFCCVEGCSA-N 0 3 263.316 2.484 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000594426515 345626456 /nfs/dbraw/zinc/62/64/56/345626456.db2.gz DOQJEHDNVZFLAO-HNNXBMFYSA-N 0 3 297.362 2.222 20 30 CEEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594427049 345626711 /nfs/dbraw/zinc/62/67/11/345626711.db2.gz SJTVHBIYTHKJKW-OCCSQVGLSA-N 0 3 259.353 2.275 20 30 CEEDHN C[C@@H]1CCC[C@H](NC(=O)[C@H](N)CCCCC#N)[C@H]1C ZINC000594428143 345627092 /nfs/dbraw/zinc/62/70/92/345627092.db2.gz ZSDLEUZUGIIAIR-RQJABVFESA-N 0 3 265.401 2.339 20 30 CEEDHN CCN(Cc1ccccc1)C(=O)[C@@H](N)CCCCC#N ZINC000594427917 345627284 /nfs/dbraw/zinc/62/72/84/345627284.db2.gz XQGKQWFALMENKE-HNNXBMFYSA-N 0 3 273.380 2.446 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCC1CCCCC1 ZINC000594427487 345627523 /nfs/dbraw/zinc/62/75/23/345627523.db2.gz UWRMLQALIXVRCR-CYBMUJFWSA-N 0 3 251.374 2.094 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000594431372 345628636 /nfs/dbraw/zinc/62/86/36/345628636.db2.gz LFQNLNMWNBUYHC-AKZYDZMLSA-N 0 3 289.423 2.435 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1cc(F)c(F)cc1F ZINC000594430234 345628663 /nfs/dbraw/zinc/62/86/63/345628663.db2.gz XJCUEOIDGCXEHN-NSHDSACASA-N 0 3 285.269 2.454 20 30 CEEDHN COc1cc(C)ccc1CNC(=O)[C@H](N)CCCCC#N ZINC000594433992 345629016 /nfs/dbraw/zinc/62/90/16/345629016.db2.gz WBDGEFZKMIBQTH-CQSZACIVSA-N 0 3 289.379 2.031 20 30 CEEDHN C[C@H]1CC[C@H](NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594433198 345629093 /nfs/dbraw/zinc/62/90/93/345629093.db2.gz DEHPKBDFPMKSGU-JHJVBQTASA-N 0 3 251.374 2.093 20 30 CEEDHN CCCO[C@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594434219 345629276 /nfs/dbraw/zinc/62/92/76/345629276.db2.gz LOFUCCCLMREKTI-GJZGRUSLSA-N 0 3 295.427 2.205 20 30 CEEDHN C[C@H]1CC[C@H](NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594433197 345629380 /nfs/dbraw/zinc/62/93/80/345629380.db2.gz DEHPKBDFPMKSGU-AVGNSLFASA-N 0 3 251.374 2.093 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CSc2ccccc21 ZINC000594434799 345629637 /nfs/dbraw/zinc/62/96/37/345629637.db2.gz TWMZBVSSKALFLE-QWHCGFSZSA-N 0 3 289.404 2.361 20 30 CEEDHN CCc1nc([C@H](C)NC(=O)[C@@H](N)CCCCC#N)cs1 ZINC000594437038 345630393 /nfs/dbraw/zinc/63/03/93/345630393.db2.gz HPDXAROKPRRNDR-QWRGUYRKSA-N 0 3 294.424 2.294 20 30 CEEDHN CC[C@@]1(C)CCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594441915 345631212 /nfs/dbraw/zinc/63/12/12/345631212.db2.gz AIDQYBHOWLYIGF-HIFRSBDPSA-N 0 3 265.401 2.436 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCc1cccc2cccnc21 ZINC000594439794 345631400 /nfs/dbraw/zinc/63/14/00/345631400.db2.gz ZXANCZDYEPIFBF-OAHLLOKOSA-N 0 3 296.374 2.262 20 30 CEEDHN CC[C@](C)(NC(=O)[C@@H](N)CCCCC#N)c1nccs1 ZINC000594439928 345631494 /nfs/dbraw/zinc/63/14/94/345631494.db2.gz WLMXRCINPUTTFV-FZMZJTMJSA-N 0 3 294.424 2.296 20 30 CEEDHN CC[C@H](C)C[C@@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594442993 345631772 /nfs/dbraw/zinc/63/17/72/345631772.db2.gz FELRNCVFHJJNAZ-YNEHKIRRSA-N 0 3 253.390 2.339 20 30 CEEDHN C[C@H]1CCCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594443557 345631835 /nfs/dbraw/zinc/63/18/35/345631835.db2.gz RKXPAVWQPMOKRL-STQMWFEESA-N 0 3 251.374 2.046 20 30 CEEDHN CC1(C)CCCC[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594444050 345631988 /nfs/dbraw/zinc/63/19/88/345631988.db2.gz JQYSGVYUUQFTTP-STQMWFEESA-N 0 3 265.401 2.483 20 30 CEEDHN C[C@H]1CCCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594443556 345632136 /nfs/dbraw/zinc/63/21/36/345632136.db2.gz RKXPAVWQPMOKRL-QWHCGFSZSA-N 0 3 251.374 2.046 20 30 CEEDHN CN(CCC(C)(C)C)C(=O)[C@H](N)CCCCC#N ZINC000594449538 345634069 /nfs/dbraw/zinc/63/40/69/345634069.db2.gz JRJFFKCBHMMSQX-GFCCVEGCSA-N 0 3 253.390 2.292 20 30 CEEDHN CSCCN(C)CCOc1ccc(C#N)cc1 ZINC000151158170 232216539 /nfs/dbraw/zinc/21/65/39/232216539.db2.gz BWHAFKCOOGZDKN-UHFFFAOYSA-N 0 3 250.367 2.232 20 30 CEEDHN CCC[C@@H](O)[C@@H](CO)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594506901 345639920 /nfs/dbraw/zinc/63/99/20/345639920.db2.gz HCXOIQVENDTSOJ-HZPDHXFCSA-N 0 3 290.407 2.099 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCc3ccccc3NC2=O)C1 ZINC000594507310 345640241 /nfs/dbraw/zinc/64/02/41/345640241.db2.gz CVEOZTWCWVACOX-UXIGCNINSA-N 0 3 269.348 2.222 20 30 CEEDHN Cc1cnc(CCNCc2ccc(C#N)o2)c(C)c1 ZINC000594523696 345643781 /nfs/dbraw/zinc/64/37/81/345643781.db2.gz ZCRQHQXCBVIQEQ-UHFFFAOYSA-N 0 3 255.321 2.495 20 30 CEEDHN N#CC1CCN(CCCOc2ccc3c(c2)OCO3)CC1 ZINC000057873025 362599071 /nfs/dbraw/zinc/59/90/71/362599071.db2.gz QKAXIVMWOXPPBY-UHFFFAOYSA-N 0 3 288.347 2.420 20 30 CEEDHN CC1(C)NC(=O)CC[C@H]1NCC1(C#N)CCCCC1 ZINC000595090615 345741621 /nfs/dbraw/zinc/74/16/21/345741621.db2.gz JBRCWTDDNMPGRS-GFCCVEGCSA-N 0 3 263.385 2.107 20 30 CEEDHN CC1(C)CCCN[C@H]1C(=O)NCC1(C#N)CCCCC1 ZINC000595258722 345750235 /nfs/dbraw/zinc/75/02/35/345750235.db2.gz RRMLOHKTTVHJLC-ZDUSSCGKSA-N 0 3 277.412 2.355 20 30 CEEDHN C=CCCSCCNC(=O)NC[C@H](N)c1ccccc1 ZINC000595267331 345751981 /nfs/dbraw/zinc/75/19/81/345751981.db2.gz ICXOKWKENVTKMS-AWEZNQCLSA-N 0 3 293.436 2.295 20 30 CEEDHN CO[C@H](CN(C)Cc1ccc(C#N)cc1)[C@H]1CCOC1 ZINC000595286427 345754187 /nfs/dbraw/zinc/75/41/87/345754187.db2.gz CQQCUENRQMFQCO-JKSUJKDBSA-N 0 3 274.364 2.042 20 30 CEEDHN CN(CCO[C@@H]1CC1(F)F)Cc1ccc(C#N)cc1 ZINC000595288251 345754418 /nfs/dbraw/zinc/75/44/18/345754418.db2.gz MHEJKAOACZIXPQ-CYBMUJFWSA-N 0 3 266.291 2.414 20 30 CEEDHN C[C@H]1CN(CCN(C)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000595287427 345754643 /nfs/dbraw/zinc/75/46/43/345754643.db2.gz ICBNMJQWXVKZBK-GJZGRUSLSA-N 0 3 287.407 2.099 20 30 CEEDHN CSC[C@H](CCO)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594921948 345703201 /nfs/dbraw/zinc/70/32/01/345703201.db2.gz MMJPWIRBKJQPQH-HNNXBMFYSA-N 0 3 290.432 2.445 20 30 CEEDHN CO[C@]1(CNCc2ccc(C3(C#N)CC3)cc2)CCOC1 ZINC000594944480 345712070 /nfs/dbraw/zinc/71/20/70/345712070.db2.gz IXCPMYYWRIYMNS-KRWDZBQOSA-N 0 3 286.375 2.137 20 30 CEEDHN CO[C@H](CNCc1ccc(C#N)c(C)c1)[C@H]1CCOC1 ZINC000594954399 345714998 /nfs/dbraw/zinc/71/49/98/345714998.db2.gz ZMRIXPKBNPQFCW-JKSUJKDBSA-N 0 3 274.364 2.008 20 30 CEEDHN CCn1cc(CNCCc2ccc(C#N)cc2)cn1 ZINC000594954991 345715240 /nfs/dbraw/zinc/71/52/40/345715240.db2.gz JNLFUYIXGPZNIU-UHFFFAOYSA-N 0 3 254.337 2.107 20 30 CEEDHN C=CCCSCCNCc1cnc2cnccn12 ZINC000594960832 345717283 /nfs/dbraw/zinc/71/72/83/345717283.db2.gz XBEZECORNAMFJX-UHFFFAOYSA-N 0 3 262.382 2.128 20 30 CEEDHN C=CCOCCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000594975400 345720694 /nfs/dbraw/zinc/72/06/94/345720694.db2.gz UDYLOAICIHXIRG-UHFFFAOYSA-N 0 3 280.324 2.286 20 30 CEEDHN N#Cc1ccc(CN[C@H]2C[C@@H](O)C23CCC3)cc1F ZINC000594987435 345722033 /nfs/dbraw/zinc/72/20/33/345722033.db2.gz KMEWOTMLAMKRSH-UONOGXRCSA-N 0 3 260.312 2.090 20 30 CEEDHN C=CCCSCCN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000595057775 345736847 /nfs/dbraw/zinc/73/68/47/345736847.db2.gz DWKJVCUXCPDZKC-JTQLQIEISA-N 0 3 253.371 2.142 20 30 CEEDHN CCOC(=O)[C@@H]1CC[C@H](C)N(CCCC#N)[C@@H]1C ZINC000595559319 345812827 /nfs/dbraw/zinc/81/28/27/345812827.db2.gz NDKBCKIWOYRPSJ-YNEHKIRRSA-N 0 3 252.358 2.342 20 30 CEEDHN C[C@H]1CN(c2nccnc2C#N)CCN1CCC1CCC1 ZINC000595340126 345764988 /nfs/dbraw/zinc/76/49/88/345764988.db2.gz VYZGAOMTABQUBD-ZDUSSCGKSA-N 0 3 285.395 2.049 20 30 CEEDHN N#Cc1ccc(CCN[C@H](CO)c2ccsc2)cc1 ZINC000595445715 345784432 /nfs/dbraw/zinc/78/44/32/345784432.db2.gz PMNRDXDAAIFMOV-OAHLLOKOSA-N 0 3 272.373 2.485 20 30 CEEDHN CCOCCOCCN(C)CCc1ccc(C#N)cc1 ZINC000595452747 345786050 /nfs/dbraw/zinc/78/60/50/345786050.db2.gz CSHZSSFSLCOKQL-UHFFFAOYSA-N 0 3 276.380 2.086 20 30 CEEDHN C=C(CC)CN[C@@](C)(CC(=O)OC)c1ccncc1 ZINC000595482953 345793156 /nfs/dbraw/zinc/79/31/56/345793156.db2.gz AWNIZXWSZZKMIZ-HNNXBMFYSA-N 0 3 262.353 2.416 20 30 CEEDHN CC(C)(C)N1CC[C@@H](NC(=O)N2CCC[C@H](CC#N)C2)C1 ZINC000595706248 345855573 /nfs/dbraw/zinc/85/55/73/345855573.db2.gz XWBHRYLRKDURHE-ZIAGYGMSSA-N 0 3 292.427 2.194 20 30 CEEDHN N#CC[C@H]1CCCN(CCN2CCC[C@H](CC#N)C2)C1 ZINC000595620003 345829887 /nfs/dbraw/zinc/82/98/87/345829887.db2.gz JFQDLWNRVVYBSN-HZPDHXFCSA-N 0 3 274.412 2.238 20 30 CEEDHN CCN(C)C(=O)CCNC(C)(C)c1cccc(C#N)c1 ZINC000595640652 345834899 /nfs/dbraw/zinc/83/48/99/345834899.db2.gz TWQQPJMIRMVHOO-UHFFFAOYSA-N 0 3 273.380 2.251 20 30 CEEDHN CO[C@@]1(CO)CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000595661779 345840902 /nfs/dbraw/zinc/84/09/02/345840902.db2.gz LOMYZAOYKKEUQK-BBRMVZONSA-N 0 3 274.364 2.093 20 30 CEEDHN Cc1cc(CN2C[C@@H]3COC[C@]3(C)C2)ccc1C#N ZINC000595760110 345869637 /nfs/dbraw/zinc/86/96/37/345869637.db2.gz SCMNVURPUVWSFO-CVEARBPZSA-N 0 3 256.349 2.335 20 30 CEEDHN C=CCN(CC(=O)NC(=O)NC1CCCC1)C(C)(C)C ZINC000595766680 345871080 /nfs/dbraw/zinc/87/10/80/345871080.db2.gz YUYBTTNTBFBEOM-UHFFFAOYSA-N 0 3 281.400 2.041 20 30 CEEDHN Cn1cc(C[C@@H]2CCC[C@H]2NCc2ccc(C#N)cn2)cn1 ZINC000595768960 345871680 /nfs/dbraw/zinc/87/16/80/345871680.db2.gz HUWLQILLIXOSHM-DOTOQJQBSA-N 0 3 295.390 2.188 20 30 CEEDHN C[C@@]1(C#N)CCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000595844502 345897033 /nfs/dbraw/zinc/89/70/33/345897033.db2.gz UEUAGBKJTBAWQM-SJORKVTESA-N 0 3 269.392 2.496 20 30 CEEDHN CN(CC(=O)NCc1ccc(C#N)cc1)C[C@@H]1CC1(C)C ZINC000595912087 345911945 /nfs/dbraw/zinc/91/19/45/345911945.db2.gz INXZPCQSDZVKOH-HNNXBMFYSA-N 0 3 285.391 2.152 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000595948641 345917494 /nfs/dbraw/zinc/91/74/94/345917494.db2.gz SQMPZZGFHMFISB-KBPBESRZSA-N 0 3 263.385 2.046 20 30 CEEDHN C[C@@]1(F)CNCCN(c2cccc(Cl)c2C#N)C1 ZINC000596014060 345923111 /nfs/dbraw/zinc/92/31/11/345923111.db2.gz LQQJWKWHNJTGMR-CYBMUJFWSA-N 0 3 267.735 2.349 20 30 CEEDHN C[NH+]1CCC(CCN=c2[n-]c(C#N)c(Cl)s2)CC1 ZINC000596108186 345941514 /nfs/dbraw/zinc/94/15/14/345941514.db2.gz ZCGPHJVXGSPLEZ-UHFFFAOYSA-N 0 3 284.816 2.234 20 30 CEEDHN Cc1cc(NCCN2CC=CCC2)cc(C#N)c1[N+](=O)[O-] ZINC000596222708 345973775 /nfs/dbraw/zinc/97/37/75/345973775.db2.gz IJCSKKRICGDMOY-UHFFFAOYSA-N 0 3 286.335 2.449 20 30 CEEDHN CN1CCN(c2cccc(C#N)n2)CC12CCCCC2 ZINC000596251324 345981100 /nfs/dbraw/zinc/98/11/00/345981100.db2.gz QKVPVSJGIZXTQB-UHFFFAOYSA-N 0 3 270.380 2.408 20 30 CEEDHN C=CCCSCCNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000596721283 346080282 /nfs/dbraw/zinc/08/02/82/346080282.db2.gz GIFRBWRPUHGSOW-CQSZACIVSA-N 0 3 299.484 2.279 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000596728478 346081189 /nfs/dbraw/zinc/08/11/89/346081189.db2.gz ZONXXIJMCWOGOR-CYBMUJFWSA-N 0 3 290.342 2.303 20 30 CEEDHN CCN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@H]1CCN(CC)C1 ZINC000596611502 346064540 /nfs/dbraw/zinc/06/45/40/346064540.db2.gz GVUYROYTCNKSBX-KKUMJFAQSA-N 0 3 292.427 2.194 20 30 CEEDHN C=CC[C@H](CO)CNCc1ccc(C(=O)OC)c(Cl)c1 ZINC000597079336 346124663 /nfs/dbraw/zinc/12/46/63/346124663.db2.gz QKUVKZQSPPYQMA-LBPRGKRZSA-N 0 3 297.782 2.401 20 30 CEEDHN C[C@@H]1[C@H](O)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597152219 346136320 /nfs/dbraw/zinc/13/63/20/346136320.db2.gz QFAIXADNTMTEQZ-IUODEOHRSA-N 0 3 256.349 2.197 20 30 CEEDHN C[C@H](CNC(=O)CC1(C#N)CCCCC1)N1CCCC1 ZINC000597156385 346137865 /nfs/dbraw/zinc/13/78/65/346137865.db2.gz HISYFZZLYMEMEV-CQSZACIVSA-N 0 3 277.412 2.451 20 30 CEEDHN C=CCC1(NCc2ccc(C(=O)OC)o2)CCOCC1 ZINC000597205587 346148249 /nfs/dbraw/zinc/14/82/49/346148249.db2.gz NADOUDODKCKQHV-UHFFFAOYSA-N 0 3 279.336 2.281 20 30 CEEDHN C[C@H](CC#N)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000597206232 346148297 /nfs/dbraw/zinc/14/82/97/346148297.db2.gz MXDGQZRXANHDDS-KGLIPLIRSA-N 0 3 273.380 2.173 20 30 CEEDHN C[C@H](O)C1(NCc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000597235268 346157601 /nfs/dbraw/zinc/15/76/01/346157601.db2.gz WLAAAUPTLDOSBX-LBPRGKRZSA-N 0 3 258.365 2.491 20 30 CEEDHN C[C@@H](CC#N)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000597791951 346231430 /nfs/dbraw/zinc/23/14/30/346231430.db2.gz BFIVVBIFKKLZOP-BHYGNILZSA-N 0 3 297.402 2.269 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000597859030 346239835 /nfs/dbraw/zinc/23/98/35/346239835.db2.gz QDTGHGPOYGFIRJ-CQSZACIVSA-N 0 3 285.391 2.469 20 30 CEEDHN CCN(C(=O)C1CN(C2CCCCC2)C1)[C@@H](C)C#N ZINC000598349223 346333767 /nfs/dbraw/zinc/33/37/67/346333767.db2.gz KBCUEEQZYXZIOM-LBPRGKRZSA-N 0 3 263.385 2.011 20 30 CEEDHN Cc1ccccc1C(F)(F)CNC(=O)C(C)C#N ZINC000598394071 346344909 /nfs/dbraw/zinc/34/49/09/346344909.db2.gz NROSOOLLGHDJAN-SNVBAGLBSA-N 0 3 252.264 2.363 20 30 CEEDHN C[C@]1(C#N)CCN(C(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000598413250 346350279 /nfs/dbraw/zinc/35/02/79/346350279.db2.gz ZEPGORPROAVPSP-GOEBONIOSA-N 0 3 275.396 2.156 20 30 CEEDHN CN(C)[C@H](CC(=O)N1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000598415142 346351473 /nfs/dbraw/zinc/35/14/73/346351473.db2.gz MBZQVCJCUHJJNS-NVXWUHKLSA-N 0 3 285.391 2.442 20 30 CEEDHN COc1ccccc1-c1cc(CNC(=O)C(C)C#N)on1 ZINC000598539709 346372390 /nfs/dbraw/zinc/37/23/90/346372390.db2.gz ALOHYAONWFJABZ-SNVBAGLBSA-N 0 3 285.303 2.126 20 30 CEEDHN CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCN1 ZINC000598572887 346376198 /nfs/dbraw/zinc/37/61/98/346376198.db2.gz MKKIFDIRVLJQKU-BBWFWOEESA-N 0 3 297.402 2.118 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCN1 ZINC000598572889 346376306 /nfs/dbraw/zinc/37/63/06/346376306.db2.gz MKKIFDIRVLJQKU-GVDBMIGSSA-N 0 3 297.402 2.118 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(C(F)F)CC1 ZINC000598594121 346380369 /nfs/dbraw/zinc/38/03/69/346380369.db2.gz ZDSWRIVNWJSFFV-LLVKDONJSA-N 0 3 260.328 2.264 20 30 CEEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(O)c1 ZINC000598600822 346382084 /nfs/dbraw/zinc/38/20/84/346382084.db2.gz KJLOVDCEGISPFQ-BXUZGUMPSA-N 0 3 262.353 2.344 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCC=C(c2ccncc2)C1 ZINC000598616012 346384708 /nfs/dbraw/zinc/38/47/08/346384708.db2.gz JCPZKQBQEHSFPP-INIZCTEOSA-N 0 3 285.391 2.471 20 30 CEEDHN CCCOc1ncccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598719115 346407061 /nfs/dbraw/zinc/40/70/61/346407061.db2.gz GJEOMORMKLALRT-CQSZACIVSA-N 0 3 291.395 2.261 20 30 CEEDHN Cc1nc(C)c(CNC[C@@H](O)CC(C)(C)C#N)s1 ZINC000598722023 346408172 /nfs/dbraw/zinc/40/81/72/346408172.db2.gz YJZCQXJNECFMEY-NSHDSACASA-N 0 3 267.398 2.150 20 30 CEEDHN CCc1noc(CC)c1CNC[C@H](O)CC(C)(C)C#N ZINC000598722239 346408758 /nfs/dbraw/zinc/40/87/58/346408758.db2.gz BCLUOWQLYRCBGO-LLVKDONJSA-N 0 3 279.384 2.190 20 30 CEEDHN COC(=O)c1cc(CNCCCC#N)n2c1CCCC2 ZINC000598637771 346389732 /nfs/dbraw/zinc/38/97/32/346389732.db2.gz LJFIZVKHJMSQSS-UHFFFAOYSA-N 0 3 275.352 2.004 20 30 CEEDHN COC(=O)[C@@H]1CCCCCN1C[C@@H](C)CCC#N ZINC000602596986 347093875 /nfs/dbraw/zinc/09/38/75/347093875.db2.gz PBHSXRZUUXNYNF-STQMWFEESA-N 0 3 252.358 2.344 20 30 CEEDHN Cc1ccc(CN(C)C[C@@H]2CCC[C@@H]2O)cc1C#N ZINC000599340741 346502556 /nfs/dbraw/zinc/50/25/56/346502556.db2.gz ZTFIVTWRPVCQPT-HOCLYGCPSA-N 0 3 258.365 2.460 20 30 CEEDHN Cc1ccc(CN2CCN(C)[C@H](C)[C@H]2C)cc1C#N ZINC000599346394 346503020 /nfs/dbraw/zinc/50/30/20/346503020.db2.gz IRTWEAIGGWNADJ-ZIAGYGMSSA-N 0 3 257.381 2.391 20 30 CEEDHN CCN1CCN(Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000599416933 346515158 /nfs/dbraw/zinc/51/51/58/346515158.db2.gz YRUCSLHYQGRZQQ-CQSZACIVSA-N 0 3 257.381 2.393 20 30 CEEDHN CCN(C)C(=O)[C@@H](NCc1ccc(C)c(C#N)c1)C(C)C ZINC000599431238 346517985 /nfs/dbraw/zinc/51/79/85/346517985.db2.gz BBTRHPUTNHNAJB-INIZCTEOSA-N 0 3 287.407 2.459 20 30 CEEDHN C[C@@H](O)C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000343532313 335207600 /nfs/dbraw/zinc/20/76/00/335207600.db2.gz PPSUBMTUIXOJOT-CYBMUJFWSA-N 0 3 258.365 2.345 20 30 CEEDHN C[C@H](c1ccco1)N(C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599271221 346488556 /nfs/dbraw/zinc/48/85/56/346488556.db2.gz CQKCNOIKHXDKNP-ZIAGYGMSSA-N 0 3 292.379 2.344 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H](C2CCC2)CC1 ZINC000602607949 347099301 /nfs/dbraw/zinc/09/93/01/347099301.db2.gz AKHRGGQGPWUILI-CABCVRRESA-N 0 3 277.412 2.436 20 30 CEEDHN C[C@@]1(CNCc2cccc(C#N)n2)CCO[C@H]1C1CC1 ZINC000602612958 347102590 /nfs/dbraw/zinc/10/25/90/347102590.db2.gz VTWCUEDELNXYKC-HOTGVXAUSA-N 0 3 271.364 2.248 20 30 CEEDHN CC(C)(NCC(=O)NCC#N)c1ccc2ccccc2c1 ZINC000599673254 346560552 /nfs/dbraw/zinc/56/05/52/346560552.db2.gz MXSPGFBVBWMIPA-UHFFFAOYSA-N 0 3 281.359 2.304 20 30 CEEDHN C[C@H]1CC(F)(F)CCN1C[C@H](O)CC(C)(C)C#N ZINC000599628491 346548866 /nfs/dbraw/zinc/54/88/66/346548866.db2.gz UKZFDLNZLRKDCL-WDEREUQCSA-N 0 3 260.328 2.407 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000600522414 346648234 /nfs/dbraw/zinc/64/82/34/346648234.db2.gz PEMYICZLPRNRHO-BBWFWOEESA-N 0 3 298.386 2.443 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@@H]2CCc3c2cccc3F)CC1 ZINC000600721756 346678428 /nfs/dbraw/zinc/67/84/28/346678428.db2.gz WWUWDGLLQFPANP-XHDPSFHLSA-N 0 3 274.339 2.457 20 30 CEEDHN C=C(C)CN1CCC(Nc2cc(C#N)nc(C3CC3)n2)CC1 ZINC000601112772 346756144 /nfs/dbraw/zinc/75/61/44/346756144.db2.gz DNYGYNOOSGXFMN-UHFFFAOYSA-N 0 3 297.406 2.100 20 30 CEEDHN N#Cc1ccc(CN[C@H]2C[C@@H](CO)C2)c(C(F)(F)F)c1 ZINC000601139888 346766857 /nfs/dbraw/zinc/76/68/57/346766857.db2.gz NANDDRCSBPXIGU-KLPPZKSPSA-N 0 3 284.281 2.438 20 30 CEEDHN CC(C)N1CC[C@H](N(C)c2cc(C#N)nc(C3CC3)n2)C1 ZINC000601173258 346777868 /nfs/dbraw/zinc/77/78/68/346777868.db2.gz USHARIZUJZFTOR-AWEZNQCLSA-N 0 3 285.395 2.145 20 30 CEEDHN CC1(C)CCC[C@@](O)(CNCc2cccc(C#N)n2)C1 ZINC000602628092 347110733 /nfs/dbraw/zinc/11/07/33/347110733.db2.gz HBPAGQLMJVMHIC-INIZCTEOSA-N 0 3 273.380 2.374 20 30 CEEDHN COCC1(CCNCc2cccc(C#N)n2)CCC1 ZINC000602677418 347139279 /nfs/dbraw/zinc/13/92/79/347139279.db2.gz ZYPJSWZRHFDSHI-UHFFFAOYSA-N 0 3 259.353 2.250 20 30 CEEDHN CO[C@H](CNCc1ccc(C#N)c(F)c1)C1CCOCC1 ZINC000602680560 347140705 /nfs/dbraw/zinc/14/07/05/347140705.db2.gz DMEYQCUINDZPCZ-MRXNPFEDSA-N 0 3 292.354 2.229 20 30 CEEDHN COc1ccc(N2CCN(C[C@@H](C)CCC#N)CC2)nc1 ZINC000602684918 347144539 /nfs/dbraw/zinc/14/45/39/347144539.db2.gz AOJFSGGSRPCRKB-AWEZNQCLSA-N 0 3 288.395 2.152 20 30 CEEDHN CO[C@@H]1C[C@@H](NCc2cccc(C#N)n2)C12CCC2 ZINC000602686797 347146494 /nfs/dbraw/zinc/14/64/94/347146494.db2.gz DZKVHYWZCWKJGE-ZIAGYGMSSA-N 0 3 257.337 2.000 20 30 CEEDHN CCC(C)(C)N1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602707287 347162155 /nfs/dbraw/zinc/16/21/55/347162155.db2.gz VEVSIUKESLBWFY-UHFFFAOYSA-N 0 3 272.396 2.259 20 30 CEEDHN C[C@H](CCC#N)CN[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000602716723 347167664 /nfs/dbraw/zinc/16/76/64/347167664.db2.gz XZXCVCDXJHGVMS-DOMZBBRYSA-N 0 3 292.404 2.186 20 30 CEEDHN N#CCC1(CN2CC[C@@]3(C2)c2ccccc2NC3=O)CC1 ZINC000602810552 347209215 /nfs/dbraw/zinc/20/92/15/347209215.db2.gz GHCVPKXZNQOVIA-QGZVFWFLSA-N 0 3 281.359 2.276 20 30 CEEDHN C[C@@H]1OCC[C@@H]1CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000602765137 347188685 /nfs/dbraw/zinc/18/86/85/347188685.db2.gz DHXLXRSDELDCJL-MAUKXSAKSA-N 0 3 299.418 2.101 20 30 CEEDHN CN(CC1(CC#N)CC1)[C@H](CC(N)=O)c1ccccc1 ZINC000602821616 347213607 /nfs/dbraw/zinc/21/36/07/347213607.db2.gz PKHXVBBQJZSXRK-CQSZACIVSA-N 0 3 271.364 2.229 20 30 CEEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@H](C)N1CC#N ZINC000602847760 347223588 /nfs/dbraw/zinc/22/35/88/347223588.db2.gz CZXKNJKYOQSBNY-GASCZTMLSA-N 0 3 282.391 2.019 20 30 CEEDHN CO[C@H](CN1C[C@@H](C)N(CC#N)[C@@H](C)C1)C1CCCCC1 ZINC000602851738 347224341 /nfs/dbraw/zinc/22/43/41/347224341.db2.gz XLCVWDKDLDYJJL-HLLBOEOZSA-N 0 3 293.455 2.500 20 30 CEEDHN Cn1cc(C2=CCCN(CCCSCC#N)C2)cn1 ZINC000602888891 347239020 /nfs/dbraw/zinc/23/90/20/347239020.db2.gz UEHFSUAWTDMEFU-UHFFFAOYSA-N 0 3 276.409 2.156 20 30 CEEDHN COC(=O)C1C[C@H](C)N(CC2(CC#N)CC2)[C@@H](C)C1 ZINC000602916565 347246181 /nfs/dbraw/zinc/24/61/81/347246181.db2.gz IHVAEUWHAHBWLJ-RYUDHWBXSA-N 0 3 264.369 2.342 20 30 CEEDHN CC(C)N1CCN(CCCN(C)[C@H]2CCC[C@@H]2C#N)CC1 ZINC000602981019 347263988 /nfs/dbraw/zinc/26/39/88/347263988.db2.gz YQSRXFBGXJMZOE-SJORKVTESA-N 0 3 292.471 2.027 20 30 CEEDHN CC(C)(C)[C@H](N)c1cn(Cc2ccc(C#N)cc2)nn1 ZINC000603161196 347300061 /nfs/dbraw/zinc/30/00/61/347300061.db2.gz LPCKYQUJDJQRJC-CQSZACIVSA-N 0 3 269.352 2.244 20 30 CEEDHN C[C@H](NCCOCCC#N)c1ccc2[nH]c(=O)oc2c1 ZINC000602991991 347268740 /nfs/dbraw/zinc/26/87/40/347268740.db2.gz ZMTXXROZIINOTN-JTQLQIEISA-N 0 3 275.308 2.114 20 30 CEEDHN COCC[C@H](c1ccccc1)N1CCN(CCC#N)CC1 ZINC000603015574 347272683 /nfs/dbraw/zinc/27/26/83/347272683.db2.gz FBPKLOJKWZVKBY-QGZVFWFLSA-N 0 3 287.407 2.295 20 30 CEEDHN CC(C)(C)[C@H](N)c1cn(Cc2ccc(F)c(C#N)c2)nn1 ZINC000603201930 347307557 /nfs/dbraw/zinc/30/75/57/347307557.db2.gz VJSGUKJNMFJHKK-CQSZACIVSA-N 0 3 287.342 2.383 20 30 CEEDHN CC[C@@H](N)c1cn([C@H](C)c2ccc(C#N)cc2)nn1 ZINC000603227239 347315477 /nfs/dbraw/zinc/31/54/77/347315477.db2.gz KSDQPIMKCZLQJU-ZWNOBZJWSA-N 0 3 255.325 2.169 20 30 CEEDHN Cc1cc(C#N)ccc1Cn1cc([C@@H](N)C(C)C)nn1 ZINC000603238868 347319598 /nfs/dbraw/zinc/31/95/98/347319598.db2.gz ZDIWXYIXCGZZNH-HNNXBMFYSA-N 0 3 269.352 2.162 20 30 CEEDHN N#Cc1cnccc1Cn1cc(CNC2CCCCC2)nn1 ZINC000603254371 347322743 /nfs/dbraw/zinc/32/27/43/347322743.db2.gz OLCDVONQDPBDIP-UHFFFAOYSA-N 0 3 296.378 2.015 20 30 CEEDHN C=CCN1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000609283415 347632996 /nfs/dbraw/zinc/63/29/96/347632996.db2.gz WYPZHLKBMXJXOD-UHFFFAOYSA-N 0 3 262.313 2.052 20 30 CEEDHN CC(C)c1ccc(C(C)(C)NCC(=O)NCC#N)cc1 ZINC000609417743 347638952 /nfs/dbraw/zinc/63/89/52/347638952.db2.gz JOKRDOUZSSXKGG-UHFFFAOYSA-N 0 3 273.380 2.274 20 30 CEEDHN N#Cc1ccc(CN2CCCN([C@@H]3CCCOC3)CC2)cc1 ZINC000610560041 347692115 /nfs/dbraw/zinc/69/21/15/347692115.db2.gz RPUGYNDWCPMDIU-GOSISDBHSA-N 0 3 299.418 2.245 20 30 CEEDHN CCc1ccc([C@H](C)NC2CCN(CC#N)CC2)o1 ZINC000610813508 347716575 /nfs/dbraw/zinc/71/65/75/347716575.db2.gz JGAWSERXDQTULC-LBPRGKRZSA-N 0 3 261.369 2.481 20 30 CEEDHN C[C@@H](NCCOC[C@H]1CCOC1)c1ccc(C#N)cc1 ZINC000610342451 347673429 /nfs/dbraw/zinc/67/34/29/347673429.db2.gz UREGZJIDQCNEGY-HIFRSBDPSA-N 0 3 274.364 2.262 20 30 CEEDHN CCCC(=O)NC1CCN(CCC(C)(C)C#N)CC1 ZINC000611462471 347781550 /nfs/dbraw/zinc/78/15/50/347781550.db2.gz FGZDWBFSWLPWQX-UHFFFAOYSA-N 0 3 265.401 2.307 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCCNC1=O ZINC000611390486 347772500 /nfs/dbraw/zinc/77/25/00/347772500.db2.gz DUJYBKNBSOCEGK-JKSUJKDBSA-N 0 3 283.375 2.194 20 30 CEEDHN CN1CCC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1=O ZINC000611393592 347773261 /nfs/dbraw/zinc/77/32/61/347773261.db2.gz IKALVOLSPFQHHT-CVEARBPZSA-N 0 3 283.375 2.146 20 30 CEEDHN C[C@H](N[C@@H](C)[C@H]1CN(C)CCO1)c1ccc(C#N)c(F)c1 ZINC000611465941 347782099 /nfs/dbraw/zinc/78/20/99/347782099.db2.gz UABBHQRUCTXQRL-MQIPJXDCSA-N 0 3 291.370 2.067 20 30 CEEDHN CN1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000610877177 347720347 /nfs/dbraw/zinc/72/03/47/347720347.db2.gz QQAMTAVUYLMZJF-LLVKDONJSA-N 0 3 292.770 2.427 20 30 CEEDHN Cc1ccccc1CCCN1CCN(CCC#N)CC1 ZINC000611175720 347747985 /nfs/dbraw/zinc/74/79/85/347747985.db2.gz MGVXFCDKECFHLF-UHFFFAOYSA-N 0 3 271.408 2.459 20 30 CEEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC000611239953 347756768 /nfs/dbraw/zinc/75/67/68/347756768.db2.gz NUKAVPQSCVEFBV-CZUORRHYSA-N 0 3 293.374 2.018 20 30 CEEDHN CC(C)[C@H](NC1CCN(CC#N)CC1)c1ccc(F)cn1 ZINC000611522795 347790831 /nfs/dbraw/zinc/79/08/31/347790831.db2.gz HFMVILSOZSXVQJ-INIZCTEOSA-N 0 3 290.386 2.495 20 30 CEEDHN CC(C)[C@@H](NC1CCN(CC#N)CC1)c1ccc(F)cn1 ZINC000611522796 347791124 /nfs/dbraw/zinc/79/11/24/347791124.db2.gz HFMVILSOZSXVQJ-MRXNPFEDSA-N 0 3 290.386 2.495 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)/C=C\CN(C)C ZINC000493493683 290835699 /nfs/dbraw/zinc/83/56/99/290835699.db2.gz ZWYUDGNOAOVLBU-XURPKSDJSA-N 0 3 271.364 2.195 20 30 CEEDHN C[C@@H](C(=O)N1CCC[C@](C)(C#N)C1)N1[C@H](C)CC[C@@H]1C ZINC000612397474 347879846 /nfs/dbraw/zinc/87/98/46/347879846.db2.gz SLALYWXRFNVKMS-KNCOVGOOSA-N 0 3 277.412 2.400 20 30 CEEDHN N#Cc1nc(N2CCN3CCC2CC3)ccc1C(F)(F)F ZINC000336923169 365952710 /nfs/dbraw/zinc/95/27/10/365952710.db2.gz IUARASMKXZRWER-UHFFFAOYSA-N 0 3 296.296 2.256 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CC[C@H]3CCC[C@@H]32)c1 ZINC000614600727 348221184 /nfs/dbraw/zinc/22/11/84/348221184.db2.gz FLQCMQWYNQQDIE-CVEARBPZSA-N 0 3 283.375 2.049 20 30 CEEDHN Cc1cc(C#N)ccc1CN1C[C@H](C)N(C)C[C@@H]1C ZINC000614403104 348194066 /nfs/dbraw/zinc/19/40/66/348194066.db2.gz DHPXECUWAIOIHC-KBPBESRZSA-N 0 3 257.381 2.391 20 30 CEEDHN C=C[C@@](C)(O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000614449268 348202448 /nfs/dbraw/zinc/20/24/48/348202448.db2.gz DAQIYLZTZXEZDJ-MRXNPFEDSA-N 0 3 294.439 2.086 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](n2cncn2)C1 ZINC000614963612 348260729 /nfs/dbraw/zinc/26/07/29/348260729.db2.gz JHZZPXIVUUTYOK-WFASDCNBSA-N 0 3 267.336 2.158 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1[C@H](C)CCC[C@@H]1C ZINC000066531935 362872866 /nfs/dbraw/zinc/87/28/66/362872866.db2.gz GGLXQIWBTZDXJM-MELADBBJSA-N 0 3 265.401 2.257 20 30 CEEDHN COC[C@@H](NCc1cc(C#N)ccc1F)C1CCOCC1 ZINC000615087196 348279393 /nfs/dbraw/zinc/27/93/93/348279393.db2.gz MDPPKLNTYSGMIR-MRXNPFEDSA-N 0 3 292.354 2.229 20 30 CEEDHN CO[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1OC ZINC000617065398 348628897 /nfs/dbraw/zinc/62/88/97/348628897.db2.gz SBLSNZAHLDWGJQ-IYBDPMFKSA-N 0 3 288.391 2.333 20 30 CEEDHN C=CCN(C(=O)c1cccc(CN(C)C)c1)[C@@H](C)COC ZINC000617580308 348742966 /nfs/dbraw/zinc/74/29/66/348742966.db2.gz UWNWBPNETMXEHF-AWEZNQCLSA-N 0 3 290.407 2.411 20 30 CEEDHN COCCN(Cc1ccc(C#N)cc1C)[C@H]1CCOC1 ZINC000618779155 349040724 /nfs/dbraw/zinc/04/07/24/349040724.db2.gz NQQAHHGTYUUOHV-INIZCTEOSA-N 0 3 274.364 2.104 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNc1cnccc1C#N ZINC000619158264 349130496 /nfs/dbraw/zinc/13/04/96/349130496.db2.gz JDBMSFPLQRTDFU-AWEZNQCLSA-N 0 3 258.369 2.486 20 30 CEEDHN C=CCCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619197360 349138682 /nfs/dbraw/zinc/13/86/82/349138682.db2.gz IMEKWYGSOBZCPG-UHFFFAOYSA-N 0 3 278.308 2.422 20 30 CEEDHN CCCN(CCN(C)C)C(=O)c1sccc1C#N ZINC000104531438 186009074 /nfs/dbraw/zinc/00/90/74/186009074.db2.gz SRYSZCBXKFBYLP-UHFFFAOYSA-N 0 3 265.382 2.034 20 30 CEEDHN C=CCC[C@H](NC[C@@H](O)[C@H]1CCCO1)c1ccco1 ZINC000624089969 350190122 /nfs/dbraw/zinc/19/01/22/350190122.db2.gz DCCWVQJUDXDFFL-GZBFAFLISA-N 0 3 265.353 2.416 20 30 CEEDHN C[C@@H](CNC(=O)N1CCC(C#N)CC1)N1CCC[C@H](C)C1 ZINC000105127139 186042796 /nfs/dbraw/zinc/04/27/96/186042796.db2.gz RGYPZQVJKXBWOC-KBPBESRZSA-N 0 3 292.427 2.052 20 30 CEEDHN C[C@H]1[C@@H](CO)CCCN1CCOc1cccc(C#N)c1 ZINC000412101772 233340266 /nfs/dbraw/zinc/34/02/66/233340266.db2.gz ZCGUHTQSZWGQNZ-DZGCQCFKSA-N 0 3 274.364 2.030 20 30 CEEDHN C=CCCCN(C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625177269 350421776 /nfs/dbraw/zinc/42/17/76/350421776.db2.gz NWXHMQKLKVYWSB-UHFFFAOYSA-N 0 3 296.370 2.184 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2sccc2C#N)CC1 ZINC000106035516 186099385 /nfs/dbraw/zinc/09/93/85/186099385.db2.gz NPWPAMWZVSMPAS-UHFFFAOYSA-N 0 3 289.404 2.390 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)C[C@@H]1CCCOC1 ZINC000130467118 365960462 /nfs/dbraw/zinc/96/04/62/365960462.db2.gz UCQCELYVVDTLAE-AWEZNQCLSA-N 0 3 274.364 2.425 20 30 CEEDHN C=CCC1(NCC(=O)Nc2cnccn2)CCCCC1 ZINC000625934424 350608788 /nfs/dbraw/zinc/60/87/88/350608788.db2.gz MYVUSHCUSQCAOL-UHFFFAOYSA-N 0 3 274.368 2.284 20 30 CEEDHN CCN1CCN(Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000110718327 186315527 /nfs/dbraw/zinc/31/55/27/186315527.db2.gz QLSIKQIKCBZWDE-LBPRGKRZSA-N 0 3 261.344 2.223 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000627078353 350827759 /nfs/dbraw/zinc/82/77/59/350827759.db2.gz NMWFQRDPDZDPRA-ZFWWWQNUSA-N 0 3 273.380 2.294 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](N2CCOCC2)C1 ZINC000569018055 299175016 /nfs/dbraw/zinc/17/50/16/299175016.db2.gz ULQUZWONLQCOQX-CRAIPNDOSA-N 0 3 299.418 2.416 20 30 CEEDHN C=C[C@H](CO)NCCc1cccc(C(F)(F)F)c1 ZINC000628352416 351076735 /nfs/dbraw/zinc/07/67/35/351076735.db2.gz HZBWJOUVVNTFAW-GFCCVEGCSA-N 0 3 259.271 2.384 20 30 CEEDHN C=CC[C@H]1CCN(Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000628405341 351093863 /nfs/dbraw/zinc/09/38/63/351093863.db2.gz JLCZKXCHWYZROD-LBPRGKRZSA-N 0 3 261.369 2.115 20 30 CEEDHN CC[C@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(C#N)cc1 ZINC000271434713 191135005 /nfs/dbraw/zinc/13/50/05/191135005.db2.gz BFWVDMBCAZDREO-CJNGLKHVSA-N 0 3 285.391 2.437 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC[C@@H](CC)CC2)C1=O ZINC000337171182 366051171 /nfs/dbraw/zinc/05/11/71/366051171.db2.gz FPYJXVBBTKZDTE-ZIAGYGMSSA-N 0 3 250.386 2.285 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)c2sccc2C#N)CCN1C ZINC000123237183 187079518 /nfs/dbraw/zinc/07/95/18/187079518.db2.gz CHAYPSPIDQYOML-PWSUYJOCSA-N 0 3 277.393 2.174 20 30 CEEDHN C[C@H](NCc1ccc(C#N)o1)[C@@H](O)Cc1ccccc1 ZINC000123244790 187080336 /nfs/dbraw/zinc/08/03/36/187080336.db2.gz ADXVMLCVBBFFJG-LRDDRELGSA-N 0 3 270.332 2.233 20 30 CEEDHN C=C1CC(C)(C(=O)N(C)CC2CCN(C)CC2)C1 ZINC000630925064 351891422 /nfs/dbraw/zinc/89/14/22/351891422.db2.gz AJBFIWYXWKMFGK-UHFFFAOYSA-N 0 3 250.386 2.143 20 30 CEEDHN C=CC(C)(C)CCNCc1cn(C[C@@H]2CCOC2)nn1 ZINC000631180187 352003340 /nfs/dbraw/zinc/00/33/40/352003340.db2.gz ATDZXKBERQEKEY-ZDUSSCGKSA-N 0 3 278.400 2.007 20 30 CEEDHN CS[C@@H]1CN(c2c(F)cc(C#N)cc2F)C[C@@H]1N(C)C ZINC000271605409 191237502 /nfs/dbraw/zinc/23/75/02/191237502.db2.gz JESRIXGEIXRPEM-QWHCGFSZSA-N 0 3 297.374 2.318 20 30 CEEDHN N#Cc1ccc(O[C@H]2CCN(CCc3cccnc3)C2)nc1 ZINC000292202774 198201206 /nfs/dbraw/zinc/20/12/06/198201206.db2.gz NWPLDJGUOHWJJM-INIZCTEOSA-N 0 3 294.358 2.044 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000669694781 539945200 /nfs/dbraw/zinc/94/52/00/539945200.db2.gz MMEGRKKHXBCSCS-GDBMZVCRSA-N 0 3 289.423 2.336 20 30 CEEDHN CN(CCCNC(=O)c1ccc(C#N)[nH]1)Cc1ccccc1 ZINC000152320644 188009668 /nfs/dbraw/zinc/00/96/68/188009668.db2.gz SNXUWCRSAJWCEQ-UHFFFAOYSA-N 0 3 296.374 2.138 20 30 CEEDHN C=CCC[C@H](NC(=O)C(C)S(C)(=O)=O)c1ccccc1 ZINC000154250009 188131726 /nfs/dbraw/zinc/13/17/26/188131726.db2.gz YVWNPIYFPZBEFF-OCCSQVGLSA-N 0 3 295.404 2.243 20 30 CEEDHN C#CCOc1ccc([C@H](C)NCCn2ccnc2)cc1 ZINC000155675926 188220621 /nfs/dbraw/zinc/22/06/21/188220621.db2.gz LCWQJMNZMSTBPP-AWEZNQCLSA-N 0 3 269.348 2.246 20 30 CEEDHN C=CCOc1cccc(NC(=O)[C@@H](N)CCSC)c1 ZINC000155357045 188201027 /nfs/dbraw/zinc/20/10/27/188201027.db2.gz DOWDFMWSMHLFBA-ZDUSSCGKSA-N 0 3 280.393 2.270 20 30 CEEDHN C=C(C)CNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000156712479 188278305 /nfs/dbraw/zinc/27/83/05/188278305.db2.gz XMDVPLVULHSWAE-CQSZACIVSA-N 0 3 275.396 2.382 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc(F)c2C)CC1 ZINC000073392357 363214328 /nfs/dbraw/zinc/21/43/28/363214328.db2.gz IGTJEXVPLYLMQU-UHFFFAOYSA-N 0 3 274.339 2.418 20 30 CEEDHN CCN(C)CCNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000158090466 188356676 /nfs/dbraw/zinc/35/66/76/188356676.db2.gz FBMYFZNWRDTMSV-OAHLLOKOSA-N 0 3 288.395 2.282 20 30 CEEDHN N#CCSCCCN1CC[C@H](Oc2ccncc2)C1 ZINC000131804151 366089241 /nfs/dbraw/zinc/08/92/41/366089241.db2.gz PUJZIEXUYRXTBQ-AWEZNQCLSA-N 0 3 277.393 2.182 20 30 CEEDHN C[C@@H](NC(=O)NCCN(C)C1CC1)c1cccc(C#N)c1 ZINC000074200633 363307621 /nfs/dbraw/zinc/30/76/21/363307621.db2.gz QWHKLAJXEOJJTA-GFCCVEGCSA-N 0 3 286.379 2.013 20 30 CEEDHN CCC[C@@H](C#N)NC(=O)[C@H](C)N1CCCCCC1 ZINC000074250931 363314719 /nfs/dbraw/zinc/31/47/19/363314719.db2.gz QEAKUTILRDFAGA-STQMWFEESA-N 0 3 251.374 2.059 20 30 CEEDHN C[C@@H](O)CN1CCN(CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000337416225 366148668 /nfs/dbraw/zinc/14/86/68/366148668.db2.gz NTMXMVZWIWLFPD-HUUCEWRRSA-N 0 3 281.444 2.093 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(C)CCN1CCCC1 ZINC000338118592 366198010 /nfs/dbraw/zinc/19/80/10/366198010.db2.gz NEQJNAJXXBEBGM-UHFFFAOYSA-N 0 3 271.364 2.035 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1CCC[C@H]1CN(C)C ZINC000338172205 366219596 /nfs/dbraw/zinc/21/95/96/366219596.db2.gz REEUSHFHHQZDMR-AWEZNQCLSA-N 0 3 271.364 2.033 20 30 CEEDHN N#CC1(C(=O)N[C@@H]2CCN(C3CCCC3)C2)CCCC1 ZINC000336505886 283043267 /nfs/dbraw/zinc/04/32/67/283043267.db2.gz XDWRVWRYVGWGMR-CYBMUJFWSA-N 0 3 275.396 2.203 20 30 CEEDHN N#CC1(c2ccccc2)CC(N[C@@H]2CCCOC2)C1 ZINC000086038269 283049572 /nfs/dbraw/zinc/04/95/72/283049572.db2.gz NBFLLXCGHJNERJ-QQFBHYJXSA-N 0 3 256.349 2.379 20 30 CEEDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)NC1(C#N)CCCCC1 ZINC000075022759 363435192 /nfs/dbraw/zinc/43/51/92/363435192.db2.gz JINVWMHQARLBEQ-ZIAGYGMSSA-N 0 3 277.412 2.449 20 30 CEEDHN Cc1nccn1CCNC1(c2cccc(C#N)c2)CC1 ZINC000271802403 191337535 /nfs/dbraw/zinc/33/75/35/191337535.db2.gz PGBPLTKVFRIZCF-UHFFFAOYSA-N 0 3 266.348 2.342 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000338227202 366242981 /nfs/dbraw/zinc/24/29/81/366242981.db2.gz XRKPVIYASFWJQU-OAHLLOKOSA-N 0 3 285.391 2.469 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1cccc(C#N)c1 ZINC000273672061 192256572 /nfs/dbraw/zinc/25/65/72/192256572.db2.gz GBUNMIJISKBVRK-RYUDHWBXSA-N 0 3 260.337 2.236 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H](C)Cc2ccco2)CC1 ZINC000668370427 538893743 /nfs/dbraw/zinc/89/37/43/538893743.db2.gz XFUNKQBHZZIOJO-ZDUSSCGKSA-N 0 3 276.380 2.225 20 30 CEEDHN COC(=O)C1(CN(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000294778302 199178373 /nfs/dbraw/zinc/17/83/73/199178373.db2.gz AIXGYKPKJTUZFD-UHFFFAOYSA-N 0 3 284.359 2.476 20 30 CEEDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1ccc(C#N)o1 ZINC000294807138 199192755 /nfs/dbraw/zinc/19/27/55/199192755.db2.gz NLJFATCBCYAJGB-KGLIPLIRSA-N 0 3 276.336 2.363 20 30 CEEDHN C=CCN1CCC(Nc2ccnc3cccnc32)CC1 ZINC000338665995 366459326 /nfs/dbraw/zinc/45/93/26/366459326.db2.gz PHWGBBYTWPSSBO-UHFFFAOYSA-N 0 3 268.364 2.114 20 30 CEEDHN CN(CCCSCC#N)[C@@H]1CCCc2c1cnn2C ZINC000135618768 366462128 /nfs/dbraw/zinc/46/21/28/366462128.db2.gz YHGWWQZJQLQWCY-CYBMUJFWSA-N 0 3 278.425 2.376 20 30 CEEDHN N#Cc1ccc(CNC2CCN(c3ncccn3)CC2)s1 ZINC000135679673 366466827 /nfs/dbraw/zinc/46/68/27/366466827.db2.gz NMKYBPXEFHODHQ-UHFFFAOYSA-N 0 3 299.403 2.168 20 30 CEEDHN C=CCN(CCOC)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668055128 540560543 /nfs/dbraw/zinc/56/05/43/540560543.db2.gz SNJXWSOTMFYNLE-KRWDZBQOSA-N 0 3 291.391 2.489 20 30 CEEDHN C=CC[C@@H](CO)CNCc1scnc1C1CC1 ZINC000487574872 540638199 /nfs/dbraw/zinc/63/81/99/540638199.db2.gz NLLXWNIUJXEXCO-SNVBAGLBSA-N 0 3 252.383 2.295 20 30 CEEDHN C[C@H](CN[C@H](CCCC#N)c1ccccc1)S(C)(=O)=O ZINC000578759645 366543959 /nfs/dbraw/zinc/54/39/59/366543959.db2.gz BLDHHNGAWCZAOJ-UKRRQHHQSA-N 0 3 294.420 2.444 20 30 CEEDHN CC(C)O[C@@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000578985401 366574539 /nfs/dbraw/zinc/57/45/39/366574539.db2.gz RSVVYHRRMTWEOJ-MRXNPFEDSA-N 0 3 274.364 2.436 20 30 CEEDHN CC1(C)C[C@@H](NCc2cnc3c(C#N)cnn3c2)C(C)(C)O1 ZINC000579007925 366580668 /nfs/dbraw/zinc/58/06/68/366580668.db2.gz HVLCOHVGOTWSCI-CYBMUJFWSA-N 0 3 299.378 2.037 20 30 CEEDHN C[C@H](N[C@@H]1CCO[C@H]1C)c1ccc(OCC#N)cc1 ZINC000149451563 366589740 /nfs/dbraw/zinc/58/97/40/366589740.db2.gz VJWXIRQELISQRE-SLEUVZQESA-N 0 3 260.337 2.417 20 30 CEEDHN Cc1nc([C@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)n[nH]1 ZINC000579205326 366608450 /nfs/dbraw/zinc/60/84/50/366608450.db2.gz BTTVPHXLFVZPHR-ZDUSSCGKSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1n[nH]c([C@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000579205326 366608456 /nfs/dbraw/zinc/60/84/56/366608456.db2.gz BTTVPHXLFVZPHR-ZDUSSCGKSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1nnc([C@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)[nH]1 ZINC000579205326 366608460 /nfs/dbraw/zinc/60/84/60/366608460.db2.gz BTTVPHXLFVZPHR-ZDUSSCGKSA-N 0 3 285.326 2.113 20 30 CEEDHN C=CCN1CCC(NC(=O)c2c(C)noc2C(F)F)CC1 ZINC000673662070 540685339 /nfs/dbraw/zinc/68/53/39/540685339.db2.gz LQGUZURROBHLHX-UHFFFAOYSA-N 0 3 299.321 2.301 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC1(O)CCCC1 ZINC000151966707 366679842 /nfs/dbraw/zinc/67/98/42/366679842.db2.gz BCWZLWGPIRZXCD-CQSZACIVSA-N 0 3 282.428 2.036 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](COCC)C1 ZINC000081520394 363724458 /nfs/dbraw/zinc/72/44/58/363724458.db2.gz UCVNXEMUGQTBQR-GJZGRUSLSA-N 0 3 282.428 2.158 20 30 CEEDHN C[C@@H](O)CCN(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180170435 189240967 /nfs/dbraw/zinc/24/09/67/189240967.db2.gz SNILMMPAXCYVEQ-CYBMUJFWSA-N 0 3 298.390 2.161 20 30 CEEDHN C[C@@](CO)(CNCc1ccc(C#N)o1)c1ccccc1 ZINC000342221366 216266068 /nfs/dbraw/zinc/26/60/68/216266068.db2.gz UDRXNPRWQPHZAB-INIZCTEOSA-N 0 3 270.332 2.191 20 30 CEEDHN C=CCNC(=O)CN[C@H](Cc1ccccc1OC)C(C)C ZINC000180038001 189234097 /nfs/dbraw/zinc/23/40/97/189234097.db2.gz SNAWWUCMZNZCQQ-OAHLLOKOSA-N 0 3 290.407 2.154 20 30 CEEDHN CCOCCNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180056528 189234954 /nfs/dbraw/zinc/23/49/54/189234954.db2.gz QNLAKMKCIPSDDH-UHFFFAOYSA-N 0 3 284.363 2.085 20 30 CEEDHN C=CCc1cc(CN[C@H](CO)CC2CC2)cc(OC)c1O ZINC000677245278 540996331 /nfs/dbraw/zinc/99/63/31/540996331.db2.gz MLCYOTUZXHKFCD-HNNXBMFYSA-N 0 3 291.391 2.380 20 30 CEEDHN CN(C)CCOc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1 ZINC000180758518 189273469 /nfs/dbraw/zinc/27/34/69/189273469.db2.gz PJOHNTNTHNBGOP-UHFFFAOYSA-N 0 3 298.346 2.079 20 30 CEEDHN COCC#CCN1CCC(CN2CCc3ccccc32)CC1 ZINC000677478690 541018024 /nfs/dbraw/zinc/01/80/24/541018024.db2.gz BQAWPPHRHGYQCU-UHFFFAOYSA-N 0 3 298.430 2.411 20 30 CEEDHN COc1ccc(CC[C@@H](C)NC[C@@H](C)C#N)cc1O ZINC000579788125 366701324 /nfs/dbraw/zinc/70/13/24/366701324.db2.gz DDKKJLPVQRPQFD-NWDGAFQWSA-N 0 3 262.353 2.471 20 30 CEEDHN C=CCc1cc(CN[C@H](C)COC)cc(OC)c1O ZINC000083482145 363776540 /nfs/dbraw/zinc/77/65/40/363776540.db2.gz DMRYRCBSYXWGEM-LLVKDONJSA-N 0 3 265.353 2.254 20 30 CEEDHN C=CCc1cc(CN[C@@H](C)COC)cc(OC)c1O ZINC000083482144 363777146 /nfs/dbraw/zinc/77/71/46/363777146.db2.gz DMRYRCBSYXWGEM-NSHDSACASA-N 0 3 265.353 2.254 20 30 CEEDHN CCN(CC)C(=O)CN(C)CC(C)(C)CCC#N ZINC000155099337 366806829 /nfs/dbraw/zinc/80/68/29/366806829.db2.gz RDOOMXKJOMYONX-UHFFFAOYSA-N 0 3 253.390 2.117 20 30 CEEDHN C=CCN(CC=C)Cc1ccccc1-n1cncn1 ZINC000678120940 541083484 /nfs/dbraw/zinc/08/34/84/541083484.db2.gz SDPCJCRTQZVSPV-UHFFFAOYSA-N 0 3 254.337 2.441 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2cccc(F)c2F)CC1 ZINC000087318090 363846807 /nfs/dbraw/zinc/84/68/07/363846807.db2.gz SJWGZFIJHDGIKU-UHFFFAOYSA-N 0 3 294.345 2.274 20 30 CEEDHN CN(CCOCC1CC1)CCOc1cccc(C#N)c1 ZINC000088077808 363876100 /nfs/dbraw/zinc/87/61/00/363876100.db2.gz QNDCXBJCWVOYEH-UHFFFAOYSA-N 0 3 274.364 2.295 20 30 CEEDHN COc1ccc(CNCCc2nccs2)cc1C#N ZINC000087824263 363870998 /nfs/dbraw/zinc/87/09/98/363870998.db2.gz BKTZBNVNGGZEGN-UHFFFAOYSA-N 0 3 273.361 2.356 20 30 CEEDHN CN(Cc1cc(C#N)ccc1F)C[C@H]1CCCN1C ZINC000092628400 364090478 /nfs/dbraw/zinc/09/04/78/364090478.db2.gz PZKFPDPLTPJDAJ-CQSZACIVSA-N 0 3 261.344 2.223 20 30 CEEDHN Cn1cc(CNC2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000093297292 364158317 /nfs/dbraw/zinc/15/83/17/364158317.db2.gz LCBFYQYXKGKJBD-UHFFFAOYSA-N 0 3 252.321 2.211 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](O)Cc2ccccc2)cc1 ZINC000238135271 370771213 /nfs/dbraw/zinc/77/12/13/370771213.db2.gz JCSFRXVFKVYYLE-KRWDZBQOSA-N 0 3 266.344 2.251 20 30 CEEDHN CC(C(=O)N1CC(=O)Nc2ccc(C#N)cc21)C(F)(F)F ZINC000334804535 364271355 /nfs/dbraw/zinc/27/13/55/364271355.db2.gz BODFRSBRSXUUFJ-ZETCQYMHSA-N 0 3 297.236 2.042 20 30 CEEDHN CC#CCCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000156545869 366834056 /nfs/dbraw/zinc/83/40/56/366834056.db2.gz ZTMZFXPCWDXYNA-UHFFFAOYSA-N 0 3 266.385 2.389 20 30 CEEDHN CN(C)Cc1cccc(C(=O)Nc2ccn(CCC#N)n2)c1 ZINC000156625687 366836288 /nfs/dbraw/zinc/83/62/88/366836288.db2.gz HGUGMFZTRQFVMW-UHFFFAOYSA-N 0 3 297.362 2.111 20 30 CEEDHN C=C(C)CNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000156824691 366838688 /nfs/dbraw/zinc/83/86/88/366838688.db2.gz ONSOMATZLWJQGK-UHFFFAOYSA-N 0 3 261.369 2.124 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000156996947 366840364 /nfs/dbraw/zinc/84/03/64/366840364.db2.gz WUMCMSVSEVJRRL-DLBZAZTESA-N 0 3 288.435 2.417 20 30 CEEDHN CCCCN(CC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000097478257 364506615 /nfs/dbraw/zinc/50/66/15/364506615.db2.gz POKAHBRGWDSUIC-ZDUSSCGKSA-N 0 3 253.390 2.117 20 30 CEEDHN C[C@H](N[C@@H](C)c1ccccc1)C(=O)N(C)CCC#N ZINC000112545252 364813994 /nfs/dbraw/zinc/81/39/94/364813994.db2.gz TYHHXBQFIFLDEK-STQMWFEESA-N 0 3 259.353 2.098 20 30 CEEDHN C[C@@H]1C[C@@H](CO)CN(Cc2ccc(C#N)s2)C1 ZINC000335613154 212326026 /nfs/dbraw/zinc/32/60/26/212326026.db2.gz LUIUANCZIULHMX-GHMZBOCLSA-N 0 3 250.367 2.070 20 30 CEEDHN C[C@@H](C(=O)N(C)C1CCN(C)CC1)c1cccc(C#N)c1 ZINC000335707581 364863929 /nfs/dbraw/zinc/86/39/29/364863929.db2.gz AUFJGLVRNUMFDC-CYBMUJFWSA-N 0 3 285.391 2.214 20 30 CEEDHN C=C(C)[C@H](CO)N[C@@H](CC)c1c(C)nn(C)c1C ZINC000680400039 541408621 /nfs/dbraw/zinc/40/86/21/541408621.db2.gz MRMQEJFYIKAZPI-STQMWFEESA-N 0 3 251.374 2.015 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC(C)=C[C@H](C)C2)CC1 ZINC000335781019 364973718 /nfs/dbraw/zinc/97/37/18/364973718.db2.gz BZQXIOPKCVXTBL-ZDUSSCGKSA-N 0 3 277.412 2.244 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000115551870 365013100 /nfs/dbraw/zinc/01/31/00/365013100.db2.gz YYEJUOBPXOICNS-OFQRWUPVSA-N 0 3 270.376 2.002 20 30 CEEDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(C#N)c(F)c1 ZINC000335823400 365032213 /nfs/dbraw/zinc/03/22/13/365032213.db2.gz XBXIOPINOBMZIS-NWDGAFQWSA-N 0 3 261.344 2.222 20 30 CEEDHN CC[C@H]1CCCN(CC(=O)N(CC)CCC#N)CC1 ZINC000117344014 365104544 /nfs/dbraw/zinc/10/45/44/365104544.db2.gz YROGDYMIVYOKPF-AWEZNQCLSA-N 0 3 265.401 2.261 20 30 CEEDHN C=CCC1(C(=O)N2CCN(C)CC[C@H]2C)CCC1 ZINC000335887944 365117589 /nfs/dbraw/zinc/11/75/89/365117589.db2.gz KMPXVNKNCWGMFK-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN Cn1cc([C@H]2OCCC[C@@H]2NCc2cccc(C#N)c2)cn1 ZINC000275433878 193034909 /nfs/dbraw/zinc/03/49/09/193034909.db2.gz FMJPMUHVFYXSIL-DLBZAZTESA-N 0 3 296.374 2.302 20 30 CEEDHN CC1(C)CN(CCOc2ccccc2C#N)CC[C@H]1O ZINC000275392395 193020146 /nfs/dbraw/zinc/02/01/46/193020146.db2.gz CRUHMFPXMMWNLD-OAHLLOKOSA-N 0 3 274.364 2.030 20 30 CEEDHN CC1(C)CN(CCCOc2cccc(C#N)c2)CC[C@@H]1O ZINC000275466932 193049238 /nfs/dbraw/zinc/04/92/38/193049238.db2.gz NZIRQQQVMFRDIG-INIZCTEOSA-N 0 3 288.391 2.420 20 30 CEEDHN CN(Cc1cc(C#N)cs1)[C@@H]1CCCC[C@H]1O ZINC000336118564 365434193 /nfs/dbraw/zinc/43/41/93/365434193.db2.gz SJQJQJYRXGNJAX-CHWSQXEVSA-N 0 3 250.367 2.355 20 30 CEEDHN Cc1ccc(NC(=O)C2CCN(CCCC#N)CC2)nc1 ZINC000120654206 365455997 /nfs/dbraw/zinc/45/59/97/365455997.db2.gz MNGQMOFBQZMHQD-UHFFFAOYSA-N 0 3 286.379 2.344 20 30 CEEDHN C[C@H](O)C[C@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000159248156 366893000 /nfs/dbraw/zinc/89/30/00/366893000.db2.gz SUWDGTOLKGYONB-SMDDNHRTSA-N 0 3 262.328 2.433 20 30 CEEDHN CC[C@@H]1CN(C)CCN1Cc1cc(C#N)ccc1OC ZINC000572395898 299364319 /nfs/dbraw/zinc/36/43/19/299364319.db2.gz MPYNAYIGHOOKBF-OAHLLOKOSA-N 0 3 273.380 2.093 20 30 CEEDHN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C(C)C#N ZINC000357791092 370828998 /nfs/dbraw/zinc/82/89/98/370828998.db2.gz FPMJIDISGNTJIH-GFCCVEGCSA-N 0 3 296.374 2.324 20 30 CEEDHN CC(C)[C@H](NC(=O)C(C)C#N)c1ccc2c(c1)OCCO2 ZINC000357828757 370830321 /nfs/dbraw/zinc/83/03/21/370830321.db2.gz NULGHSDGOOVCQV-ABAIWWIYSA-N 0 3 288.347 2.431 20 30 CEEDHN C=C(C)COCCNC[C@@H](O)COc1cc(C)ccc1C ZINC000163855788 367268025 /nfs/dbraw/zinc/26/80/25/367268025.db2.gz ACGLAVQJFLXJOR-MRXNPFEDSA-N 0 3 293.407 2.225 20 30 CEEDHN C=CC[C@H](CO)CNCc1cn(-c2ccccc2)nc1C ZINC000341368513 367307325 /nfs/dbraw/zinc/30/73/25/367307325.db2.gz MGYCVBXXWLADJT-HNNXBMFYSA-N 0 3 285.391 2.455 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000341604239 367370900 /nfs/dbraw/zinc/37/09/00/367370900.db2.gz YTSYWBIETAOZCH-RWMBFGLXSA-N 0 3 253.390 2.123 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCCC[C@@H](COC)C1 ZINC000342591718 367438400 /nfs/dbraw/zinc/43/84/00/367438400.db2.gz SWHHUAYXMDNNAL-JKSUJKDBSA-N 0 3 294.439 2.324 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000342605105 367448776 /nfs/dbraw/zinc/44/87/76/367448776.db2.gz ZZAUTEKJTXRGII-NEPJUHHUSA-N 0 3 250.386 2.330 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H](C3OCCO3)C2)cc1 ZINC000171377884 367530966 /nfs/dbraw/zinc/53/09/66/367530966.db2.gz LEYVJIGZPHYUTB-HNNXBMFYSA-N 0 3 272.348 2.143 20 30 CEEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)[C@H]1CCCCO1 ZINC000342768264 367523331 /nfs/dbraw/zinc/52/33/31/367523331.db2.gz KCYCBSJFPIDIJP-SWLSCSKDSA-N 0 3 284.363 2.253 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@H]2Cc3ccccc32)CC1 ZINC000171721896 367602688 /nfs/dbraw/zinc/60/26/88/367602688.db2.gz PDZQMEKWNDXYNT-OAHLLOKOSA-N 0 3 299.418 2.276 20 30 CEEDHN C=CC[C@H](CO)NCc1c[nH]nc1-c1ccsc1 ZINC000681981498 541614993 /nfs/dbraw/zinc/61/49/93/541614993.db2.gz MBRDPUUDXJRGJI-GFCCVEGCSA-N 0 3 263.366 2.165 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC[C@H]2CCCC[C@H]21 ZINC000245839894 370879127 /nfs/dbraw/zinc/87/91/27/370879127.db2.gz FQPAMCVNMPUISS-HUUCEWRRSA-N 0 3 277.412 2.403 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CCCN1C ZINC000343441179 367817682 /nfs/dbraw/zinc/81/76/82/367817682.db2.gz CBHKTJYLPIIWOL-BBRMVZONSA-N 0 3 297.402 2.189 20 30 CEEDHN CCCN1CCC[C@@H]1CNC(=O)c1cccc(C#N)c1 ZINC000343565529 367887776 /nfs/dbraw/zinc/88/77/76/367887776.db2.gz HXZLTPHLTFGIBI-OAHLLOKOSA-N 0 3 271.364 2.162 20 30 CEEDHN N#CCc1ccc(CN2CCN(C3CCOCC3)CC2)cc1 ZINC000343589792 367903094 /nfs/dbraw/zinc/90/30/94/367903094.db2.gz XXOUZINEQGRXNV-UHFFFAOYSA-N 0 3 299.418 2.049 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H]2C(C)C)CC1 ZINC000343696289 367959835 /nfs/dbraw/zinc/95/98/35/367959835.db2.gz QSGOYMLRGKAHNS-HNNXBMFYSA-N 0 3 279.428 2.467 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)c2cccnc2)CC1 ZINC000174667313 368055292 /nfs/dbraw/zinc/05/52/92/368055292.db2.gz PUXSHRIBZQIQEI-CQSZACIVSA-N 0 3 287.407 2.342 20 30 CEEDHN C[C@@H](Cc1cnccn1)NCc1ccc(C#N)s1 ZINC000343794721 368007342 /nfs/dbraw/zinc/00/73/42/368007342.db2.gz VNMDRLZWAIJKDL-JTQLQIEISA-N 0 3 258.350 2.131 20 30 CEEDHN CCC(CC)N(CC)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000344034502 368104349 /nfs/dbraw/zinc/10/43/49/368104349.db2.gz RNCRCBSWMSGCMN-HNNXBMFYSA-N 0 3 265.401 2.305 20 30 CEEDHN CCC(CC)N(CC)CC(=O)N(CC)CCC#N ZINC000344013790 368100827 /nfs/dbraw/zinc/10/08/27/368100827.db2.gz CRTSCAUFVXFALQ-UHFFFAOYSA-N 0 3 253.390 2.259 20 30 CEEDHN CCC[C@H](C)CN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000180712169 368393514 /nfs/dbraw/zinc/39/35/14/368393514.db2.gz FLZJZKBOVSPINN-KBPBESRZSA-N 0 3 287.411 2.295 20 30 CEEDHN CC[C@@H](NCc1ccc(C#N)cc1)[C@H](O)C(F)(F)F ZINC000345825622 368440980 /nfs/dbraw/zinc/44/09/80/368440980.db2.gz YFZIKZPYTZNEPS-NEPJUHHUSA-N 0 3 272.270 2.350 20 30 CEEDHN C[C@H](CO[C@H]1CCOC1)N[C@@H](C)c1cccc(C#N)c1 ZINC000181876784 368502558 /nfs/dbraw/zinc/50/25/58/368502558.db2.gz JZKFIUQTOCJRCE-WWGRRREGSA-N 0 3 274.364 2.403 20 30 CEEDHN C[C@@H](N[C@@H](C)CCS(C)(=O)=O)c1cccc(C#N)c1 ZINC000181908546 368505144 /nfs/dbraw/zinc/50/51/44/368505144.db2.gz RGSYDSHIPGCECR-NWDGAFQWSA-N 0 3 280.393 2.032 20 30 CEEDHN CCN1C[C@H](C)N(CCOc2ccccc2C#N)C[C@@H]1C ZINC000346200233 368587912 /nfs/dbraw/zinc/58/79/12/368587912.db2.gz WMNXTFQCLQKPQZ-GJZGRUSLSA-N 0 3 287.407 2.352 20 30 CEEDHN CCN1C[C@@H](C)N(CCOc2ccccc2C#N)C[C@@H]1C ZINC000346200236 368588411 /nfs/dbraw/zinc/58/84/11/368588411.db2.gz WMNXTFQCLQKPQZ-LSDHHAIUSA-N 0 3 287.407 2.352 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346155635 368565790 /nfs/dbraw/zinc/56/57/90/368565790.db2.gz ATWUQJYORMOEDZ-QKPAOTATSA-N 0 3 294.439 2.156 20 30 CEEDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)CC2 ZINC000346228645 368600563 /nfs/dbraw/zinc/60/05/63/368600563.db2.gz ZKEFBCQFCPVOPH-HZMBPMFUSA-N 0 3 299.353 2.263 20 30 CEEDHN CC[C@@H](N[C@H](C)C(=O)N(C)C)c1ccc(C#N)cc1 ZINC000572712219 299391897 /nfs/dbraw/zinc/39/18/97/299391897.db2.gz YDXWCVZKCJHBQU-BXUZGUMPSA-N 0 3 259.353 2.076 20 30 CEEDHN C=CCOCCCN1CCN(Cc2cccc(O)c2)CC1 ZINC000348029101 368864762 /nfs/dbraw/zinc/86/47/62/368864762.db2.gz GZXCRFYVJRFAOM-UHFFFAOYSA-N 0 3 290.407 2.103 20 30 CEEDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)c1cccc(C#N)c1 ZINC000348154265 368923833 /nfs/dbraw/zinc/92/38/33/368923833.db2.gz AEHFOXVASSVVGU-NILFDRSVSA-N 0 3 271.364 2.124 20 30 CEEDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000348165722 368930646 /nfs/dbraw/zinc/93/06/46/368930646.db2.gz YXWBXMFSBRBSFE-JSGCOSHPSA-N 0 3 291.782 2.216 20 30 CEEDHN CN(CCOc1ccccc1C#N)[C@@H]1CCN(C2CC2)C1 ZINC000348181374 368937020 /nfs/dbraw/zinc/93/70/20/368937020.db2.gz QMFZJNXQFSVXMC-MRXNPFEDSA-N 0 3 285.391 2.106 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CCCO[C@H]1CC(C)C ZINC000186345950 368959664 /nfs/dbraw/zinc/95/96/64/368959664.db2.gz MDQZREOANZJHFK-CVEARBPZSA-N 0 3 294.439 2.370 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000186688354 369019571 /nfs/dbraw/zinc/01/95/71/369019571.db2.gz ZFTLDNGZZQWOKA-SUFBMKPHSA-N 0 3 267.394 2.012 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000186704127 369023667 /nfs/dbraw/zinc/02/36/67/369023667.db2.gz RNGCRHUDAWAYRU-PWSUYJOCSA-N 0 3 250.298 2.182 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000186704162 369023938 /nfs/dbraw/zinc/02/39/38/369023938.db2.gz RNGCRHUDAWAYRU-ZYHUDNBSSA-N 0 3 250.298 2.182 20 30 CEEDHN CC(C)[C@@H]1CN(C)CCN1CCOc1cccc(C#N)c1 ZINC000348573236 369093285 /nfs/dbraw/zinc/09/32/85/369093285.db2.gz DCWCPMDWACQETL-KRWDZBQOSA-N 0 3 287.407 2.209 20 30 CEEDHN CNC(=O)[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000187689894 369204119 /nfs/dbraw/zinc/20/41/19/369204119.db2.gz SGPMVQBOZQFNKK-DOMZBBRYSA-N 0 3 271.364 2.077 20 30 CEEDHN C=CCCCN(C)C(=O)[C@H]1CCN1C1CCCC1 ZINC000635582641 369231354 /nfs/dbraw/zinc/23/13/54/369231354.db2.gz AVAGISHZPBBDMH-CQSZACIVSA-N 0 3 250.386 2.428 20 30 CEEDHN CN(C)[C@H]1CCCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000330797039 203248706 /nfs/dbraw/zinc/24/87/06/203248706.db2.gz GIELRDQHYVGKBU-LSDHHAIUSA-N 0 3 286.379 2.161 20 30 CEEDHN COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(OC)c1OC 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C=CCN1CCC(Nc2cc(CC)nc(C)n2)CC1 ZINC000272840299 373677279 /nfs/dbraw/zinc/67/72/79/373677279.db2.gz IPIUWGGOYIKOCZ-UHFFFAOYSA-N 0 3 260.385 2.410 20 30 CEEDHN CN(CCN(C)C1CC1)c1c(C#N)nnc2ccccc21 ZINC000274457436 373930169 /nfs/dbraw/zinc/93/01/69/373930169.db2.gz JXIONBPNBSZEDQ-UHFFFAOYSA-N 0 3 281.363 2.032 20 30 CEEDHN Cc1cn2c(n1)CC[C@@H](NCc1ccc(C#N)s1)C2 ZINC000371882607 373998173 /nfs/dbraw/zinc/99/81/73/373998173.db2.gz CWDVYWAHJXWSLE-LLVKDONJSA-N 0 3 272.377 2.229 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCCN(c3cccnn3)C2)s1 ZINC000371884891 373999182 /nfs/dbraw/zinc/99/91/82/373999182.db2.gz WLFICCGGQOINRI-LBPRGKRZSA-N 0 3 299.403 2.168 20 30 CEEDHN C=C(C)CCN(CCO)Cc1cc(OC)ccc1OC ZINC000274774928 374044920 /nfs/dbraw/zinc/04/49/20/374044920.db2.gz INHHOSQWRWNYIM-UHFFFAOYSA-N 0 3 279.380 2.464 20 30 CEEDHN C[C@H]1CCCCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000274916918 374094890 /nfs/dbraw/zinc/09/48/90/374094890.db2.gz YBBJOCSJSIAJEG-AWEZNQCLSA-N 0 3 285.391 2.296 20 30 CEEDHN C[C@H](NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(C#N)s1 ZINC000372325619 374098303 /nfs/dbraw/zinc/09/83/03/374098303.db2.gz LNAYBAKPVGDWAS-XQQFMLRXSA-N 0 3 291.420 2.134 20 30 CEEDHN N#Cc1ccc(N2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000372586280 374161634 /nfs/dbraw/zinc/16/16/34/374161634.db2.gz KKAFAZGHHYSGNZ-QGZVFWFLSA-N 0 3 285.391 2.249 20 30 CEEDHN CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000275289399 374206740 /nfs/dbraw/zinc/20/67/40/374206740.db2.gz XPIQGNRTXGQEEY-RYUDHWBXSA-N 0 3 293.392 2.105 20 30 CEEDHN C#CCN(C)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000276897525 374338704 /nfs/dbraw/zinc/33/87/04/374338704.db2.gz CVEFCLPCXLIIEU-SWLSCSKDSA-N 0 3 281.783 2.344 20 30 CEEDHN CN(Cc1cc(C#N)n(C)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000373822065 374427389 /nfs/dbraw/zinc/42/73/89/374427389.db2.gz WOGUHDURQGYIET-KFWWJZLASA-N 0 3 273.380 2.142 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](OC)CC1 ZINC000374645122 374622264 /nfs/dbraw/zinc/62/22/64/374622264.db2.gz IHIKDNZLDYCZEN-LSDHHAIUSA-N 0 3 282.428 2.300 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@@](C)(O)CC1 ZINC000376674390 374716390 /nfs/dbraw/zinc/71/63/90/374716390.db2.gz UTEXMAUCLDWTJY-MRXNPFEDSA-N 0 3 274.364 2.304 20 30 CEEDHN Cc1nn(C)c(CNCCCCC#N)c1Br ZINC000279107423 374842905 /nfs/dbraw/zinc/84/29/05/374842905.db2.gz JYONTMGVHRDYMF-UHFFFAOYSA-N 0 3 285.189 2.275 20 30 CEEDHN C#CCOc1cccc(NC(=O)C23CCCN2CCC3)c1 ZINC000279397223 374860997 /nfs/dbraw/zinc/86/09/97/374860997.db2.gz JHXNZNUNBBPWKH-UHFFFAOYSA-N 0 3 284.359 2.266 20 30 CEEDHN CN(c1ccnc(C#N)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381863816 375179841 /nfs/dbraw/zinc/17/98/41/375179841.db2.gz JLSUJVWXIFGPFV-OAHLLOKOSA-N 0 3 293.374 2.059 20 30 CEEDHN C[C@@H](O)C[C@H]1CCCCN1Cc1cc(C#N)n(C)c1 ZINC000280357869 375180950 /nfs/dbraw/zinc/18/09/50/375180950.db2.gz CIKDBWKQJZOMDK-TZMCWYRMSA-N 0 3 261.369 2.022 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(OC)n1 ZINC000280546593 375238892 /nfs/dbraw/zinc/23/88/92/375238892.db2.gz DJFNPSDCZXRNSM-IUODEOHRSA-N 0 3 262.353 2.161 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(C(=O)OC)co1 ZINC000280590978 375254151 /nfs/dbraw/zinc/25/41/51/375254151.db2.gz BIOBRMDANMGRMS-SMDDNHRTSA-N 0 3 279.336 2.137 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(Br)cn1 ZINC000390468669 375312397 /nfs/dbraw/zinc/31/23/97/375312397.db2.gz ILKFXPWGQWRGTB-MWLCHTKSSA-N 0 3 285.185 2.432 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@H](CO)C[C@H](C)C1 ZINC000398623504 375353338 /nfs/dbraw/zinc/35/33/38/375353338.db2.gz GVJAKGDARUWABW-GXTWGEPZSA-N 0 3 274.364 2.017 20 30 CEEDHN COc1cc(CN(C)C[C@H]2CCOC2)ccc1C#N ZINC000398873002 375354694 /nfs/dbraw/zinc/35/46/94/375354694.db2.gz FVCPWOJERWIYBL-CYBMUJFWSA-N 0 3 260.337 2.035 20 30 CEEDHN C[C@H](C(=O)NC(C)(C)C)N1CCC(CCC#N)CC1 ZINC000399387431 375362702 /nfs/dbraw/zinc/36/27/02/375362702.db2.gz ISLHXXRFKWVOTN-GFCCVEGCSA-N 0 3 265.401 2.305 20 30 CEEDHN CCOCCOCCN(C)Cc1ccc(C#N)c(OC)c1 ZINC000282338947 375461580 /nfs/dbraw/zinc/46/15/80/375461580.db2.gz OTDOQRCMRWRKGI-UHFFFAOYSA-N 0 3 292.379 2.052 20 30 CEEDHN Cc1ccc(C#N)c(N[C@H]2C[C@H](C)N(C3CC3)C2)n1 ZINC000408106769 375410784 /nfs/dbraw/zinc/41/07/84/375410784.db2.gz ZLHGAWUQPJWMDZ-AAEUAGOBSA-N 0 3 256.353 2.299 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCC1CCC(C#N)CC1 ZINC000408428565 375479048 /nfs/dbraw/zinc/47/90/48/375479048.db2.gz DZWOLLYTVBPPRZ-DGKWVBSXSA-N 0 3 277.412 2.305 20 30 CEEDHN C[C@H](NCC1([S@](C)=O)CC1)c1cccc(C#N)c1 ZINC000282473277 375493949 /nfs/dbraw/zinc/49/39/49/375493949.db2.gz WKQJQKDAARJUID-VOJFVSQTSA-N 0 3 262.378 2.120 20 30 CEEDHN Cc1cc(C)cc([C@H](O)CNCc2cc(C#N)n(C)c2)c1 ZINC000282928113 375614926 /nfs/dbraw/zinc/61/49/26/375614926.db2.gz HWAJZKHCOJPVHB-QGZVFWFLSA-N 0 3 283.375 2.337 20 30 CEEDHN Cc1nsc(NCCN2CCC[C@H](C)C2)c1C#N ZINC000283435027 375707911 /nfs/dbraw/zinc/70/79/11/375707911.db2.gz CMUSUJQEYMQBJP-JTQLQIEISA-N 0 3 264.398 2.467 20 30 CEEDHN N#Cc1cc(NCCN2CCc3ccccc3C2)ccn1 ZINC000283699100 375748392 /nfs/dbraw/zinc/74/83/92/375748392.db2.gz ZWVMSUWGNHKKCL-UHFFFAOYSA-N 0 3 278.359 2.423 20 30 CEEDHN C[C@@H]1CN(c2ncc(C#N)cc2F)CCN(C2CC2)C1 ZINC000413331266 375778881 /nfs/dbraw/zinc/77/88/81/375778881.db2.gz PVRNSAACVRBENW-NSHDSACASA-N 0 3 274.343 2.013 20 30 CEEDHN Cc1cc(C#N)nc(N2CCN(CC3CCCCC3)CC2)n1 ZINC000286296541 375902436 /nfs/dbraw/zinc/90/24/36/375902436.db2.gz OXGVYTFUMQQIJE-UHFFFAOYSA-N 0 3 299.422 2.359 20 30 CEEDHN CCN1CCN(Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000286621849 376016120 /nfs/dbraw/zinc/01/61/20/376016120.db2.gz SCXCNIYDVREIQS-GFCCVEGCSA-N 0 3 261.344 2.223 20 30 CEEDHN CNCc1ccccc1NC(=O)NCC(C)(C)CC#N ZINC000415900755 376028813 /nfs/dbraw/zinc/02/88/13/376028813.db2.gz LZCIFZUQCFYLBM-UHFFFAOYSA-N 0 3 274.368 2.467 20 30 CEEDHN C=CC(C)(C)CNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000418242025 376244060 /nfs/dbraw/zinc/24/40/60/376244060.db2.gz AFHGQNMREQCMPG-OAHLLOKOSA-N 0 3 287.407 2.385 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H](N)c1ccccc1 ZINC000418437529 376314983 /nfs/dbraw/zinc/31/49/83/376314983.db2.gz YDUJHCVBJDZMCS-HUUCEWRRSA-N 0 3 273.380 2.437 20 30 CEEDHN Cc1cn[nH]c1CNC1(c2cccc(C#N)c2)CC1 ZINC000289578835 376407124 /nfs/dbraw/zinc/40/71/24/376407124.db2.gz SJTMHCVJKNCSAJ-UHFFFAOYSA-N 0 3 252.321 2.369 20 30 CEEDHN C=C(CC)CN[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000419265763 376418054 /nfs/dbraw/zinc/41/80/54/376418054.db2.gz DZYIDVIKUVUMJD-CYBMUJFWSA-N 0 3 279.384 2.458 20 30 CEEDHN C[C@@H]1[C@H](Nc2nccnc2C#N)CCN1Cc1ccccc1 ZINC000288223667 376374542 /nfs/dbraw/zinc/37/45/42/376374542.db2.gz MUPDIJIXUIYVPE-UKRRQHHQSA-N 0 3 293.374 2.423 20 30 CEEDHN C=CCCCCC[NH+]1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000288576570 376378209 /nfs/dbraw/zinc/37/82/09/376378209.db2.gz BCAGMABQTSYLOS-UHFFFAOYSA-N 0 3 264.373 2.024 20 30 CEEDHN COc1ccc(CN2CCC[C@@H]2C(C)(C)O)cc1C#N ZINC000305758641 376476439 /nfs/dbraw/zinc/47/64/39/376476439.db2.gz XPYBQFMWNVLUGE-OAHLLOKOSA-N 0 3 274.364 2.302 20 30 CEEDHN C=CCNC(=O)NC(=O)CN(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419321536 376441367 /nfs/dbraw/zinc/44/13/67/376441367.db2.gz GDNRWSBPAOLLNX-QWHCGFSZSA-N 0 3 295.427 2.145 20 30 CEEDHN C[C@H](NC[C@H](O)COCC1CC1)c1ccc(C#N)cc1F ZINC000305815406 376504952 /nfs/dbraw/zinc/50/49/52/376504952.db2.gz LUWYOVBOIFGQQH-FZMZJTMJSA-N 0 3 292.354 2.135 20 30 CEEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)Nc1nccnc1C#N ZINC000263802138 190080039 /nfs/dbraw/zinc/08/00/39/190080039.db2.gz LPHKZEPKDWBZAX-XQQFMLRXSA-N 0 3 273.384 2.127 20 30 CEEDHN C=CCN(CCc1ccccc1)CCn1cncn1 ZINC000264113884 190092169 /nfs/dbraw/zinc/09/21/69/190092169.db2.gz QUFJKNRKEZFDNI-UHFFFAOYSA-N 0 3 256.353 2.009 20 30 CEEDHN CCN(CCNC(=O)/C=C/c1ccc(C#N)cc1)C1CC1 ZINC000264186462 190094667 /nfs/dbraw/zinc/09/46/67/190094667.db2.gz QUMCVDBNKPZUBE-JXMROGBWSA-N 0 3 283.375 2.172 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)[C@@H]2C1 ZINC000334302669 206337904 /nfs/dbraw/zinc/33/79/04/206337904.db2.gz CPJIYUFXLTUYSJ-IAGOWNOFSA-N 0 3 297.402 2.043 20 30 CEEDHN N#Cc1ccc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)o1 ZINC000289999685 376596420 /nfs/dbraw/zinc/59/64/20/376596420.db2.gz YAVAABHYRNWODO-IAGOWNOFSA-N 0 3 282.343 2.407 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC[C@]12CCOC2 ZINC000312914116 376732527 /nfs/dbraw/zinc/73/25/27/376732527.db2.gz BTWHQZPVIPIQQH-MRXNPFEDSA-N 0 3 272.348 2.192 20 30 CEEDHN C#Cc1ccc(CN[C@@H](CC)[C@@H](O)C(F)(F)F)cc1 ZINC000290322162 376734031 /nfs/dbraw/zinc/73/40/31/376734031.db2.gz JRFNVUGGQTZFFF-QWHCGFSZSA-N 0 3 271.282 2.459 20 30 CEEDHN C=CCN1CC[C@H](N(C)C[C@@H]2CCc3ccccc32)C1=O ZINC000685004082 542109335 /nfs/dbraw/zinc/10/93/35/542109335.db2.gz BCVMVTPQPZSYPB-RDJZCZTQSA-N 0 3 284.403 2.435 20 30 CEEDHN Cn1cc(CN2CCC[C@@]2(C)CCCO)cc1C#N ZINC000290563629 376835702 /nfs/dbraw/zinc/83/57/02/376835702.db2.gz SMTYBLWIFOFDLK-HNNXBMFYSA-N 0 3 261.369 2.024 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCOC1 ZINC000562363655 376876375 /nfs/dbraw/zinc/87/63/75/376876375.db2.gz ZZTSHVQHGOFOJW-HUUCEWRRSA-N 0 3 272.348 2.054 20 30 CEEDHN CCN1CCC[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC000328674070 376877465 /nfs/dbraw/zinc/87/74/65/376877465.db2.gz PRNZFWRRNRDVBH-SMDDNHRTSA-N 0 3 267.373 2.184 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)c1cc2nc[nH]c2cc1F ZINC000329292527 376939416 /nfs/dbraw/zinc/93/94/16/376939416.db2.gz NRKUEGOXIRSKQB-JTQLQIEISA-N 0 3 290.342 2.491 20 30 CEEDHN CCc1ocnc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000329334484 376948814 /nfs/dbraw/zinc/94/88/14/376948814.db2.gz KRVGXWZWLAJESW-SNVBAGLBSA-N 0 3 263.341 2.192 20 30 CEEDHN CC[C@H]1C[C@@H](C)CN1CC(=O)NCc1ccc(C#N)cc1 ZINC000330962596 377215416 /nfs/dbraw/zinc/21/54/16/377215416.db2.gz YQIGXKZJCYFGMW-CJNGLKHVSA-N 0 3 285.391 2.295 20 30 CEEDHN CC#CCN1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC000291901185 377216867 /nfs/dbraw/zinc/21/68/67/377216867.db2.gz RFZKQFXVTIHRLY-KRWDZBQOSA-N 0 3 273.376 2.464 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)c1ncoc1C ZINC000330712985 377199460 /nfs/dbraw/zinc/19/94/60/377199460.db2.gz YWOWWAIMEYTPEE-NSHDSACASA-N 0 3 251.330 2.162 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000424710438 377285585 /nfs/dbraw/zinc/28/55/85/377285585.db2.gz HYYAJBPKJHHXOB-RYUDHWBXSA-N 0 3 250.386 2.330 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000424760054 377292055 /nfs/dbraw/zinc/29/20/55/377292055.db2.gz LGXHIHRZXZIBTK-GFCCVEGCSA-N 0 3 250.386 2.355 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000426007013 377391134 /nfs/dbraw/zinc/39/11/34/377391134.db2.gz YZSFDKPEJOYOSJ-GUTXKFCHSA-N 0 3 277.412 2.219 20 30 CEEDHN C#CCNC(=O)CCN1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000292904195 377344300 /nfs/dbraw/zinc/34/43/00/377344300.db2.gz WHRFYVBHAPYNLW-CZUORRHYSA-N 0 3 288.366 2.348 20 30 CEEDHN C=CCOc1cccc(CN[C@@H](CO)CC(F)F)c1 ZINC000428641097 377497150 /nfs/dbraw/zinc/49/71/50/377497150.db2.gz LRUUWBWALYQAFL-GFCCVEGCSA-N 0 3 271.307 2.357 20 30 CEEDHN Cc1cccn2c(CNCC3(CC#N)CC3)cnc12 ZINC000430018439 377524520 /nfs/dbraw/zinc/52/45/20/377524520.db2.gz LMHZZGLFQXJYDE-UHFFFAOYSA-N 0 3 254.337 2.426 20 30 CEEDHN C=CCN1CCC(Nc2nccc(C#N)c2Cl)CC1 ZINC000429198911 377511915 /nfs/dbraw/zinc/51/19/15/377511915.db2.gz AHCNGLHCXBDGON-UHFFFAOYSA-N 0 3 276.771 2.091 20 30 CEEDHN C[C@H]1CC[C@H](N(C)CC(=O)NC2(C#N)CCCCC2)C1 ZINC000429587154 377516901 /nfs/dbraw/zinc/51/69/01/377516901.db2.gz DZHIKVQKEVRKEK-KBPBESRZSA-N 0 3 277.412 2.449 20 30 CEEDHN COC(=O)c1ccc(CNCC2(CC#N)CC2)cc1 ZINC000430762798 377550222 /nfs/dbraw/zinc/55/02/22/377550222.db2.gz MSEODOHZTRBPDV-UHFFFAOYSA-N 0 3 258.321 2.257 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C/C(C)(C)C)CC1 ZINC000265399387 190179447 /nfs/dbraw/zinc/17/94/47/190179447.db2.gz WOVQJIUBIVFGHT-RMKNXTFCSA-N 0 3 250.386 2.355 20 30 CEEDHN CCOc1ccc(C#N)cc1NC(=O)/C=C/CN(C)C ZINC000265603057 190193465 /nfs/dbraw/zinc/19/34/65/190193465.db2.gz CSOHUVLEXGZLIJ-AATRIKPKSA-N 0 3 273.336 2.013 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000431513069 377647387 /nfs/dbraw/zinc/64/73/87/377647387.db2.gz JNZRRTAAYBWUSN-GDBMZVCRSA-N 0 3 286.375 2.396 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000432095009 377713454 /nfs/dbraw/zinc/71/34/54/377713454.db2.gz ADYIASYDEQERJU-OLZOCXBDSA-N 0 3 267.417 2.371 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ncc(COC)s1 ZINC000435724945 377808038 /nfs/dbraw/zinc/80/80/38/377808038.db2.gz FCEGLZBDQUBFIS-FZMZJTMJSA-N 0 3 282.409 2.360 20 30 CEEDHN CC[C@@H](COC)NC(=O)C(C#N)CCc1ccccc1 ZINC000433345046 377788648 /nfs/dbraw/zinc/78/86/48/377788648.db2.gz VFCMLJHPMMBYFE-GJZGRUSLSA-N 0 3 274.364 2.300 20 30 CEEDHN C[C@H](C#N)CN(C)C(=O)[C@H]1CCCN1C1CCCC1 ZINC000440125396 377928733 /nfs/dbraw/zinc/92/87/33/377928733.db2.gz ZEOPUMQPVWMKMZ-TZMCWYRMSA-N 0 3 263.385 2.011 20 30 CEEDHN COc1cccc(C(C)(C)CNC(=O)C(C)C#N)c1 ZINC000441563279 377949750 /nfs/dbraw/zinc/94/97/50/377949750.db2.gz JHUWGTOSVYZHPR-NSHDSACASA-N 0 3 260.337 2.249 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000438974795 377914501 /nfs/dbraw/zinc/91/45/01/377914501.db2.gz PJPOTULEYAHWKR-DEKYYXRVSA-N 0 3 258.321 2.215 20 30 CEEDHN C#CCOc1ccccc1CNCCC(C)(C)CO ZINC000294718194 378016211 /nfs/dbraw/zinc/01/62/11/378016211.db2.gz FFKFUQMHQURZQU-UHFFFAOYSA-N 0 3 261.365 2.197 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCCOc2ncccc2Cl)C1 ZINC000442826657 378004596 /nfs/dbraw/zinc/00/45/96/378004596.db2.gz KCGDFZHSRJGPNO-MNOVXSKESA-N 0 3 265.744 2.396 20 30 CEEDHN Cn1cc(CN[C@H]2CC[C@H](C#N)C2)c(C(F)(F)F)n1 ZINC000442821581 378005241 /nfs/dbraw/zinc/00/52/41/378005241.db2.gz BPZKBUANZJPLGT-WPRPVWTQSA-N 0 3 272.274 2.221 20 30 CEEDHN CN(CCC#N)C[C@H](O)CNCc1ccc2ccccc2c1 ZINC000574684907 335039208 /nfs/dbraw/zinc/03/92/08/335039208.db2.gz UAHCNODKVXPHQI-GOSISDBHSA-N 0 3 297.402 2.136 20 30 CEEDHN CC1(C)C[C@@H](O)CCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000295197449 378047375 /nfs/dbraw/zinc/04/73/75/378047375.db2.gz BJBFWGFQPMZIEV-HOTGVXAUSA-N 0 3 288.391 2.075 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCCCC(C)(C)C1 ZINC000446068007 378084715 /nfs/dbraw/zinc/08/47/15/378084715.db2.gz BRKZNHLZVZKSJU-UHFFFAOYSA-N 0 3 265.401 2.261 20 30 CEEDHN N#CCSCCCN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444717936 378078877 /nfs/dbraw/zinc/07/88/77/378078877.db2.gz JNAZTVDNOXSTCP-WDEREUQCSA-N 0 3 296.358 2.268 20 30 CEEDHN CC(C)[C@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000444770975 378080355 /nfs/dbraw/zinc/08/03/55/378080355.db2.gz NEJJRMRZSINYFQ-BBRMVZONSA-N 0 3 277.412 2.163 20 30 CEEDHN C#CCOc1ccc(CN(C)CC(C)(C)CO)cc1 ZINC000294836023 378022444 /nfs/dbraw/zinc/02/24/44/378022444.db2.gz QMXQOSJVODIOIH-UHFFFAOYSA-N 0 3 261.365 2.149 20 30 CEEDHN N#C[C@H]1CCC[C@H](NCc2ccc(OCCO)cc2)C1 ZINC000447572522 378118349 /nfs/dbraw/zinc/11/83/49/378118349.db2.gz CKKBWFUFUYBZBT-GJZGRUSLSA-N 0 3 274.364 2.230 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](O)CC(C)(C)C1 ZINC000295427767 378152578 /nfs/dbraw/zinc/15/25/78/378152578.db2.gz JAWHJTLAXMZPNH-LSDHHAIUSA-N 0 3 294.439 2.058 20 30 CEEDHN CC1(C)C[C@@H](O)CCN(CCOc2ccccc2C#N)C1 ZINC000295436079 378156662 /nfs/dbraw/zinc/15/66/62/378156662.db2.gz JPSIUQHHFVVYLC-HNNXBMFYSA-N 0 3 288.391 2.420 20 30 CEEDHN C=CCC[C@H](CO)NCc1cnc([C@H]2CCCO2)s1 ZINC000449695195 378221877 /nfs/dbraw/zinc/22/18/77/378221877.db2.gz DKGOHHQCQGRDQD-DGCLKSJQSA-N 0 3 282.409 2.411 20 30 CEEDHN C[C@@H]1C[C@]1(C#N)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000448603141 378175298 /nfs/dbraw/zinc/17/52/98/378175298.db2.gz DGCWNFXAIVVOTA-UWWQBHOKSA-N 0 3 297.402 2.489 20 30 CEEDHN CCN1CCC[C@H]1CN(C)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000450026541 378274315 /nfs/dbraw/zinc/27/43/15/378274315.db2.gz WEFGEKRQTUAWHF-YOEHRIQHSA-N 0 3 289.423 2.403 20 30 CEEDHN CN1CCC[C@H]1CNc1ncc(Br)cc1C#N ZINC000295591241 378225873 /nfs/dbraw/zinc/22/58/73/378225873.db2.gz SUNOJIYOXVOHPM-NSHDSACASA-N 0 3 295.184 2.222 20 30 CEEDHN CC[C@H](CCO)NC(=O)C(C#N)CCc1ccccc1 ZINC000450196090 378319374 /nfs/dbraw/zinc/31/93/74/378319374.db2.gz WSVNIUWUQADOSG-LSDHHAIUSA-N 0 3 274.364 2.036 20 30 CEEDHN C[C@@H](CO)[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC000295858861 378331586 /nfs/dbraw/zinc/33/15/86/378331586.db2.gz YBSYJSRHMCRFAZ-NWDGAFQWSA-N 0 3 251.757 2.298 20 30 CEEDHN CC[C@H](C)N1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000296044074 378400645 /nfs/dbraw/zinc/40/06/45/378400645.db2.gz PYKGSAIRELHSME-ZDUSSCGKSA-N 0 3 295.390 2.422 20 30 CEEDHN C[C@H](O)CCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000450355604 378373847 /nfs/dbraw/zinc/37/38/47/378373847.db2.gz RSJRBAPCBMSAIY-ZDUSSCGKSA-N 0 3 274.364 2.172 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1ccccc1 ZINC000296121438 378424793 /nfs/dbraw/zinc/42/47/93/378424793.db2.gz HNNQHPXKLCQCAV-CQSZACIVSA-N 0 3 273.380 2.002 20 30 CEEDHN C#C[C@H](NCc1cc(C(=O)OCC)c(C)[nH]1)C(C)C ZINC000296702323 378623495 /nfs/dbraw/zinc/62/34/95/378623495.db2.gz IFVUNDNMNUFLKH-AWEZNQCLSA-N 0 3 262.353 2.247 20 30 CEEDHN C#CCOc1ccc(CNC[C@](C)(O)c2ccco2)cc1 ZINC000266159529 190236327 /nfs/dbraw/zinc/23/63/27/190236327.db2.gz NDFBSVYIFYDGSP-KRWDZBQOSA-N 0 3 285.343 2.289 20 30 CEEDHN N#Cc1cccnc1N1CCN(CC2CCCC2)CC1 ZINC000298576877 378771308 /nfs/dbraw/zinc/77/13/08/378771308.db2.gz SBQYTNIOXWPPRE-UHFFFAOYSA-N 0 3 270.380 2.265 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)COCC1CC1)C(C)C ZINC000299173256 378925469 /nfs/dbraw/zinc/92/54/69/378925469.db2.gz WGLCGMLQFLVIPG-MRXNPFEDSA-N 0 3 294.439 2.228 20 30 CEEDHN N#CCC[C@@H](C#N)CNC[C@H](CO)C1CCCCC1 ZINC000514790042 379151246 /nfs/dbraw/zinc/15/12/46/379151246.db2.gz HZOUTZFLQBLKDP-DZGCQCFKSA-N 0 3 263.385 2.208 20 30 CEEDHN CO[C@@H]1CCN(CCCOc2cccc(C#N)c2)C1 ZINC000300102583 379155263 /nfs/dbraw/zinc/15/52/63/379155263.db2.gz YFUHDSJIHZCNFM-OAHLLOKOSA-N 0 3 260.337 2.048 20 30 CEEDHN CC(=O)c1ccc(C#N)c(N2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC000519752393 379452977 /nfs/dbraw/zinc/45/29/77/379452977.db2.gz GVGVGLWRJWFDBE-GASCZTMLSA-N 0 3 269.348 2.092 20 30 CEEDHN CC(C)OCCN1CCC(Nc2ncccc2C#N)CC1 ZINC000267009429 190296857 /nfs/dbraw/zinc/29/68/57/190296857.db2.gz GEYHQJZPPAPAMI-UHFFFAOYSA-N 0 3 288.395 2.255 20 30 CEEDHN CC(C)OCCN1CCC(Nc2ccc(C#N)nc2)CC1 ZINC000267440270 190330687 /nfs/dbraw/zinc/33/06/87/190330687.db2.gz YNEDWECGRYRWJL-UHFFFAOYSA-N 0 3 288.395 2.255 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)NCC(C)(C)CCC#N ZINC000479370249 380078469 /nfs/dbraw/zinc/07/84/69/380078469.db2.gz BTQWMVAJBVEDHC-CQSZACIVSA-N 0 3 294.443 2.490 20 30 CEEDHN N#CC(C(=O)NC1CC1)C(=O)C1CCc2ccccc2CC1 ZINC000528919398 380135519 /nfs/dbraw/zinc/13/55/19/380135519.db2.gz MGNSWNDJTKSDPU-INIZCTEOSA-N 0 3 296.370 2.169 20 30 CEEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000489446019 380192690 /nfs/dbraw/zinc/19/26/90/380192690.db2.gz FYRBGBCKGMWXAP-HOTGVXAUSA-N 0 3 286.375 2.338 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000268320898 190395552 /nfs/dbraw/zinc/39/55/52/190395552.db2.gz ZRWKXCUPKNCFBL-SWLSCSKDSA-N 0 3 262.397 2.354 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCN(CC(F)(F)F)C2)s1 ZINC000540598765 380256142 /nfs/dbraw/zinc/25/61/42/380256142.db2.gz RYGAQNTVWKRYCE-SECBINFHSA-N 0 3 289.326 2.346 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@]2(CCCOC2)C1 ZINC000531342777 380207451 /nfs/dbraw/zinc/20/74/51/380207451.db2.gz UJLJBHUXKVIAFA-KRWDZBQOSA-N 0 3 294.439 2.304 20 30 CEEDHN Cc1c(CN(C)CCCC2(C#N)CCOCC2)cnn1C ZINC000532047436 380210097 /nfs/dbraw/zinc/21/00/97/380210097.db2.gz MSYGHQSWKXWPAP-UHFFFAOYSA-N 0 3 290.411 2.261 20 30 CEEDHN CCC(CC)N(CC(=O)N(CCC#N)CCC#N)C1CC1 ZINC000532098904 380211638 /nfs/dbraw/zinc/21/16/38/380211638.db2.gz YAAOJDVZEZPIQV-UHFFFAOYSA-N 0 3 290.411 2.295 20 30 CEEDHN N#CCc1ccnc(NC(=O)[C@@H]2CCCN2C2CCCC2)c1 ZINC000533376829 380217497 /nfs/dbraw/zinc/21/74/97/380217497.db2.gz XFSDRHHYLCHBBC-HNNXBMFYSA-N 0 3 298.390 2.493 20 30 CEEDHN C#CCN(C(=O)N[C@@H](CC(C)C)CN1CCCC1)C1CC1 ZINC000491299294 380300075 /nfs/dbraw/zinc/30/00/75/380300075.db2.gz ZDHOHJZTMRRVNB-HNNXBMFYSA-N 0 3 291.439 2.304 20 30 CEEDHN N#Cc1ccc2ncc(CN3CC[C@@H](O)C34CCCC4)n2c1 ZINC000552085008 380682467 /nfs/dbraw/zinc/68/24/67/380682467.db2.gz KQKFPJAWXONWKR-OAHLLOKOSA-N 0 3 296.374 2.085 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000493909664 381151256 /nfs/dbraw/zinc/15/12/56/381151256.db2.gz XUKZZGUMMPUYAF-RYUDHWBXSA-N 0 3 254.374 2.408 20 30 CEEDHN CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)C(C)C#N ZINC000495758082 381183887 /nfs/dbraw/zinc/18/38/87/381183887.db2.gz CAVZTYJEKRLVDZ-CHWSQXEVSA-N 0 3 295.383 2.006 20 30 CEEDHN C=CCOCCN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000495972797 381192055 /nfs/dbraw/zinc/19/20/55/381192055.db2.gz WCWVTVWIQFIDJF-UONOGXRCSA-N 0 3 296.411 2.130 20 30 CEEDHN C=C(Cl)CN[C@H](C)C1CCN(C(=O)OC)CC1 ZINC000496037888 381193756 /nfs/dbraw/zinc/19/37/56/381193756.db2.gz ZGUKLRATVPBIGQ-SNVBAGLBSA-N 0 3 260.765 2.195 20 30 CEEDHN C[C@H](CCC#N)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000496560645 381219807 /nfs/dbraw/zinc/21/98/07/381219807.db2.gz AHRAKWVWZQFMMW-MCIONIFRSA-N 0 3 293.411 2.477 20 30 CEEDHN CC(C)(C)OC(=O)N1CC[C@H]2CN(CCCC#N)C[C@H]2C1 ZINC000496962709 381235528 /nfs/dbraw/zinc/23/55/28/381235528.db2.gz ZUYHIADOPGJCAS-KBPBESRZSA-N 0 3 293.411 2.479 20 30 CEEDHN C[C@@H](Cc1cnn(C)c1)NCc1ccc(C#N)cc1F ZINC000350562597 219036019 /nfs/dbraw/zinc/03/60/19/219036019.db2.gz VRUSNOMBYHECQX-NSHDSACASA-N 0 3 272.327 2.152 20 30 CEEDHN COc1ccc([C@H](C)NC(=O)C(C)C#N)cc1F ZINC000347048530 533164898 /nfs/dbraw/zinc/16/48/98/533164898.db2.gz MGVQXOXAPJXCCQ-BDAKNGLRSA-N 0 3 250.273 2.171 20 30 CEEDHN CCN(CCC#N)C(=O)CN(CC1CCC1)C(C)C ZINC000193208216 262218623 /nfs/dbraw/zinc/21/86/23/262218623.db2.gz IHTPEWRXFDRVFV-UHFFFAOYSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCOc1ccc(CN2C[C@H](O)[C@H](CC)C2)cc1 ZINC000355181927 262352848 /nfs/dbraw/zinc/35/28/48/262352848.db2.gz CVLCREMHEJKBDS-ZBFHGGJFSA-N 0 3 261.365 2.454 20 30 CEEDHN CC[C@H](C)[C@@H](O)CNCc1ccc(C#N)c(OC)c1 ZINC000281558480 195287314 /nfs/dbraw/zinc/28/73/14/195287314.db2.gz BRQVWKAEWPHSLY-FZMZJTMJSA-N 0 3 262.353 2.063 20 30 CEEDHN CC[C@H](CN1CCN(Cc2ccc(C#N)cc2)CC1)OC ZINC000412979722 394449125 /nfs/dbraw/zinc/44/91/25/394449125.db2.gz VJTLFQCZDZXWBL-QGZVFWFLSA-N 0 3 287.407 2.101 20 30 CEEDHN COCCN(CCOc1cccc(C#N)c1)C1CC1 ZINC000048335293 394515577 /nfs/dbraw/zinc/51/55/77/394515577.db2.gz RCVDICLOZFGERW-UHFFFAOYSA-N 0 3 260.337 2.048 20 30 CEEDHN N#CCC1CCN(C[C@@H]2COc3ccccc3O2)CC1 ZINC000039153818 394499272 /nfs/dbraw/zinc/49/92/72/394499272.db2.gz HWFQRZXFYPTATF-CQSZACIVSA-N 0 3 272.348 2.452 20 30 CEEDHN C#CCOc1ccccc1CNC[C@H]1CCCCO1 ZINC000042813841 394504705 /nfs/dbraw/zinc/50/47/05/394504705.db2.gz XAQOXNZCZUAICO-OAHLLOKOSA-N 0 3 259.349 2.357 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2CCn3cncc3C2)CC1 ZINC000328989255 394559857 /nfs/dbraw/zinc/55/98/57/394559857.db2.gz RVDOIPJODKLYGT-ZDUSSCGKSA-N 0 3 288.395 2.052 20 30 CEEDHN CCN1CCC(NC(=O)Nc2cccc3c2OCO3)CC1 ZINC000329433785 394563401 /nfs/dbraw/zinc/56/34/01/394563401.db2.gz IGYYQGZXRGYCES-UHFFFAOYSA-N 0 3 291.351 2.226 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000356227719 394566322 /nfs/dbraw/zinc/56/63/22/394566322.db2.gz JQOSKNMAKMPROT-GOSISDBHSA-N 0 3 297.402 2.425 20 30 CEEDHN CC(=O)N1CCC(NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000329532989 394570905 /nfs/dbraw/zinc/57/09/05/394570905.db2.gz XPWCFJWHWYTEFB-CYBMUJFWSA-N 0 3 295.427 2.218 20 30 CEEDHN C[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCc3[nH]cnc3C2)C1 ZINC000329633920 394578489 /nfs/dbraw/zinc/57/84/89/394578489.db2.gz WXHAMLZIAMQJNI-WOPDTQHZSA-N 0 3 276.384 2.349 20 30 CEEDHN CN(CCOc1cccc(C#N)c1)C[C@H]1CCCCO1 ZINC000048554495 394518072 /nfs/dbraw/zinc/51/80/72/394518072.db2.gz YHEDFNNXKZCOTI-MRXNPFEDSA-N 0 3 274.364 2.438 20 30 CEEDHN CC[C@H](C)N1CCN(c2cc(C)nc(C#N)c2)CC1 ZINC000308269406 394526035 /nfs/dbraw/zinc/52/60/35/394526035.db2.gz DYQPVSJOMBPZEW-ZDUSSCGKSA-N 0 3 258.369 2.182 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccc(OC)c(F)c1 ZINC000320276521 394545788 /nfs/dbraw/zinc/54/57/88/394545788.db2.gz NENHTBIJKUCFAP-LBPRGKRZSA-N 0 3 253.317 2.251 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2c[nH]c3cccnc23)CN1C1CC1 ZINC000329872267 394591483 /nfs/dbraw/zinc/59/14/83/394591483.db2.gz CZCOJGGNFBNKJW-MNOVXSKESA-N 0 3 284.363 2.493 20 30 CEEDHN CCn1ccc(CNC(=O)C(C#N)CCc2ccccc2)n1 ZINC000413881060 394656411 /nfs/dbraw/zinc/65/64/11/394656411.db2.gz NAIOBZIRBGUYCA-HNNXBMFYSA-N 0 3 296.374 2.292 20 30 CEEDHN CC(C)c1nnc(CCC(=O)N[C@H]2CCN(C3CC3)C2)o1 ZINC000329954701 394598153 /nfs/dbraw/zinc/59/81/53/394598153.db2.gz KFZUBCUSWYQFBI-NSHDSACASA-N 0 3 292.383 2.319 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C(C)C)C1CCC1 ZINC000077358948 394622189 /nfs/dbraw/zinc/62/21/89/394622189.db2.gz MWGVOWOGVNYXCZ-ZDUSSCGKSA-N 0 3 265.401 2.257 20 30 CEEDHN C=CCC1(C(=O)N[C@@H](CO)CN2CCCCC2)CCCC1 ZINC000413801671 394641201 /nfs/dbraw/zinc/64/12/01/394641201.db2.gz SKSZSCSQEFVQGT-OAHLLOKOSA-N 0 3 294.439 2.086 20 30 CEEDHN C=CCCCCCN(C)CC(=O)N(CC)CCC#N ZINC000265749936 394653187 /nfs/dbraw/zinc/65/31/87/394653187.db2.gz FHDWLUJDQXMADG-UHFFFAOYSA-N 0 3 265.401 2.427 20 30 CEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(CC#N)cc2)C1 ZINC000270540541 394735780 /nfs/dbraw/zinc/73/57/80/394735780.db2.gz PTIZPIWNLHXVTI-DLBZAZTESA-N 0 3 297.402 2.309 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)CCCSC)CC1 ZINC000358990054 394736316 /nfs/dbraw/zinc/73/63/16/394736316.db2.gz LLAUFBQELKCLIS-UHFFFAOYSA-N 0 3 285.457 2.031 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000358984795 394736534 /nfs/dbraw/zinc/73/65/34/394736534.db2.gz OVKLTSLGHYBTEC-ZBFHGGJFSA-N 0 3 294.439 2.348 20 30 CEEDHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCC(C)(C#N)CC2)C1 ZINC000335103790 394737638 /nfs/dbraw/zinc/73/76/38/394737638.db2.gz LGKDPCPXDKELAH-UONOGXRCSA-N 0 3 292.427 2.050 20 30 CEEDHN CN1CCN(Cc2ccc(OCC#N)cc2)C(C)(C)C1 ZINC000270991202 394744336 /nfs/dbraw/zinc/74/43/36/394744336.db2.gz DVUDBTMZAHZYIG-UHFFFAOYSA-N 0 3 273.380 2.115 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000334433871 394684502 /nfs/dbraw/zinc/68/45/02/394684502.db2.gz XXWWCEBAFKPEEP-WCQYABFASA-N 0 3 288.322 2.407 20 30 CEEDHN C=CC[C@H](Cc1ccccc1)NCc1cnnn1C ZINC000414542562 394746220 /nfs/dbraw/zinc/74/62/20/394746220.db2.gz YAVVZLUKDOPNGG-CQSZACIVSA-N 0 3 256.353 2.092 20 30 CEEDHN CC[C@H](C(=O)N(C)C1(C#N)CCC1)N(CC)CC ZINC000359300249 394747123 /nfs/dbraw/zinc/74/71/23/394747123.db2.gz VTGXCSSXHUSNPZ-GFCCVEGCSA-N 0 3 251.374 2.011 20 30 CEEDHN CC(C)(C)C1CN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000414153131 394718195 /nfs/dbraw/zinc/71/81/95/394718195.db2.gz YOYBLHSKGRSSQM-HNNXBMFYSA-N 0 3 288.391 2.276 20 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2.161 20 30 CEEDHN CCC[C@H]1CCCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000120886556 394786376 /nfs/dbraw/zinc/78/63/76/394786376.db2.gz MHRFJFZXDTVQIS-KBPBESRZSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCCS(=O)(=O)NC[C@H](CC(C)C)N(CC)CC ZINC000360116662 394790252 /nfs/dbraw/zinc/79/02/52/394790252.db2.gz UQGXEJHYGVGSMN-AWEZNQCLSA-N 0 3 290.473 2.238 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)[C@@H](C)COC)CC1 ZINC000360175586 394791960 /nfs/dbraw/zinc/79/19/60/394791960.db2.gz LTHQYQDJRUCHBB-UONOGXRCSA-N 0 3 282.428 2.062 20 30 CEEDHN CC#CCCN1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000360437886 394800821 /nfs/dbraw/zinc/80/08/21/394800821.db2.gz ORMWHURDWYSCJW-GJZGRUSLSA-N 0 3 250.386 2.121 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000274803630 394801996 /nfs/dbraw/zinc/80/19/96/394801996.db2.gz NLGMQWDHYIPLAB-PBHICJAKSA-N 0 3 299.418 2.218 20 30 CEEDHN C=CCCCN(C)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360754704 394806686 /nfs/dbraw/zinc/80/66/86/394806686.db2.gz MZRNTPGINWZDJW-AWEZNQCLSA-N 0 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2.402 20 30 CEEDHN C#CC[C@H](C)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000366943677 394955722 /nfs/dbraw/zinc/95/57/22/394955722.db2.gz FWBMDHSYDSLNDN-CWRNSKLLSA-N 0 3 285.391 2.143 20 30 CEEDHN C=CC[C@H](CO)CNCc1cc(OC)ccc1F ZINC000339337431 394955740 /nfs/dbraw/zinc/95/57/40/394955740.db2.gz BHPLZBXFMFNDFY-NSHDSACASA-N 0 3 253.317 2.109 20 30 CEEDHN CN(CCC(=O)OC(C)(C)C)[C@H]1CC[C@@H](C#N)C1 ZINC000339017661 394937481 /nfs/dbraw/zinc/93/74/81/394937481.db2.gz MZKQICLHUDPADF-NEPJUHHUSA-N 0 3 252.358 2.342 20 30 CEEDHN C=CCN[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000283956489 394939652 /nfs/dbraw/zinc/93/96/52/394939652.db2.gz HUMFMIPEYAFKCV-ZIAGYGMSSA-N 0 3 252.308 2.486 20 30 CEEDHN C[C@H](CO[C@H]1CCOC1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000132973300 394942133 /nfs/dbraw/zinc/94/21/33/394942133.db2.gz KAKPAMDVOCJDCC-WWGRRREGSA-N 0 3 274.364 2.403 20 30 CEEDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCOCCC#N ZINC000339141353 394945903 /nfs/dbraw/zinc/94/59/03/394945903.db2.gz SHSSYSIKWPWQOO-ZJUUUORDSA-N 0 3 250.264 2.189 20 30 CEEDHN C[C@@H]1C[C@]2(CCO1)CN([C@@H]1CC[C@@H](C#N)C1)C[C@H](C)O2 ZINC000339148367 394946462 /nfs/dbraw/zinc/94/64/62/394946462.db2.gz KAXAZEWLKJIVDG-YIDVYQOGSA-N 0 3 278.396 2.337 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H](CC(C)C)OC)CC1 ZINC000416150910 395022947 /nfs/dbraw/zinc/02/29/47/395022947.db2.gz MXSVGMYLPHNZPA-HNNXBMFYSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCCOCCCCC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000342866977 395025357 /nfs/dbraw/zinc/02/53/57/395025357.db2.gz NIDRUNIBUCJSHH-HUUCEWRRSA-N 0 3 282.428 2.348 20 30 CEEDHN CC#CCNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000135109303 394963509 /nfs/dbraw/zinc/96/35/09/394963509.db2.gz FMGBLGUSJSMGLI-UHFFFAOYSA-N 0 3 299.418 2.282 20 30 CEEDHN C=CCN(CC=C)[C@H](CNc1ccnc(C#N)c1)C(C)C ZINC000339970709 394975998 /nfs/dbraw/zinc/97/59/98/394975998.db2.gz OAWXSUITDUBSMU-QGZVFWFLSA-N 0 3 284.407 2.486 20 30 CEEDHN CC(C)(C)[C@H](C#N)NC(=O)CCN1CCc2ccccc2C1 ZINC000416172960 395026773 /nfs/dbraw/zinc/02/67/73/395026773.db2.gz 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SNNGGSKPQFYQHG-ZDUSSCGKSA-N 0 3 277.364 2.460 20 30 CEEDHN CC(C#N)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000345858202 395080934 /nfs/dbraw/zinc/08/09/34/395080934.db2.gz XTLMSMQSAIMSOE-LLVKDONJSA-N 0 3 285.347 2.201 20 30 CEEDHN C=C[C@H](CO)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000289614734 395081922 /nfs/dbraw/zinc/08/19/22/395081922.db2.gz DGJUWYWITZDMEA-TZMCWYRMSA-N 0 3 257.337 2.070 20 30 CEEDHN Cc1cnn([C@@H]2CCN(CCOc3cccc(C#N)c3)C2)c1 ZINC000289838040 395089101 /nfs/dbraw/zinc/08/91/01/395089101.db2.gz JZYMDKVKOUUGQW-MRXNPFEDSA-N 0 3 296.374 2.389 20 30 CEEDHN C[C@@H](NCC(C)(C)CCC#N)c1nnc2n1CCC2 ZINC000169095207 395089200 /nfs/dbraw/zinc/08/92/00/395089200.db2.gz YZKLZKGHXLZPKF-LLVKDONJSA-N 0 3 261.373 2.205 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000346241130 395091914 /nfs/dbraw/zinc/09/19/14/395091914.db2.gz HYGXBMLYCBXEMZ-NXEZZACHSA-N 0 3 266.728 2.383 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000346241095 395092022 /nfs/dbraw/zinc/09/20/22/395092022.db2.gz HSEVUTMADZPUDH-UWVGGRQHSA-N 0 3 266.728 2.383 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000290155355 395095019 /nfs/dbraw/zinc/09/50/19/395095019.db2.gz QEZCPNDXUJKOHL-BXKDBHETSA-N 0 3 295.264 2.308 20 30 CEEDHN Cc1cc(C#N)cc(N2CCN(C)[C@H](C(C)C)C2)n1 ZINC000343213379 395034179 /nfs/dbraw/zinc/03/41/79/395034179.db2.gz DSOHYXGWRPVLGX-AWEZNQCLSA-N 0 3 258.369 2.038 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000343344048 395037121 /nfs/dbraw/zinc/03/71/21/395037121.db2.gz PCAOJKOLGXKRGP-QKCSRTOESA-N 0 3 276.311 2.179 20 30 CEEDHN C#CCCN1CCC(Cc2occc2C(=O)OC)CC1 ZINC000372315862 395039885 /nfs/dbraw/zinc/03/98/85/395039885.db2.gz ICWZXFMVSNQLAQ-UHFFFAOYSA-N 0 3 275.348 2.344 20 30 CEEDHN C=C[C@](C)(O)CC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000290693771 395114522 /nfs/dbraw/zinc/11/45/22/395114522.db2.gz IZUOVRBPAJXUJL-JQFCIGGWSA-N 0 3 290.407 2.121 20 30 CEEDHN Cc1ccc([C@@H](C)NCC(=O)NC2(C#N)CCC2)cc1 ZINC000347005284 395116418 /nfs/dbraw/zinc/11/64/18/395116418.db2.gz DVXUSINMDSXJMZ-CYBMUJFWSA-N 0 3 271.364 2.208 20 30 CEEDHN N#CCSCCCN1CCN(c2ccccc2)CC1 ZINC000173858945 395116876 /nfs/dbraw/zinc/11/68/76/395116876.db2.gz XCPKNJHVZORHLH-UHFFFAOYSA-N 0 3 275.421 2.455 20 30 CEEDHN COCCN(CCC(C)(C)C#N)[C@H]1CCO[C@@H]1C ZINC000347131036 395120353 /nfs/dbraw/zinc/12/03/53/395120353.db2.gz PBGZWOOMYAYFCZ-OLZOCXBDSA-N 0 3 254.374 2.052 20 30 CEEDHN CN(Cc1ccccc1)C1CN(c2cccnc2C#N)C1 ZINC000291044776 395120423 /nfs/dbraw/zinc/12/04/23/395120423.db2.gz CZRIGFKANKKIQW-UHFFFAOYSA-N 0 3 278.359 2.274 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCC[C@H]1OCc1ccccc1 ZINC000427597592 395123493 /nfs/dbraw/zinc/12/34/93/395123493.db2.gz WEAGQUVFTAZGBD-VHDGCEQUSA-N 0 3 272.348 2.400 20 30 CEEDHN N#CCCCN[C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000346809337 395108676 /nfs/dbraw/zinc/10/86/76/395108676.db2.gz FVSMPIWCKPLXJT-GFCCVEGCSA-N 0 3 261.300 2.492 20 30 CEEDHN C[C@@H](CNC(=O)c1ccc(C#N)o1)N1CCCC[C@@H]1C ZINC000428167280 395141791 /nfs/dbraw/zinc/14/17/91/395141791.db2.gz VDDGIQYRZSCCKG-RYUDHWBXSA-N 0 3 275.352 2.144 20 30 CEEDHN CN(CCNC(=O)c1cccc(SCC#N)c1)C1CC1 ZINC000430774673 395166717 /nfs/dbraw/zinc/16/67/17/395166717.db2.gz DESLXSPHUZRHIZ-UHFFFAOYSA-N 0 3 289.404 2.126 20 30 CEEDHN CO[C@H]1C[C@@H](NCc2cnc3ccc(C#N)cn23)C12CCC2 ZINC000516006233 395177649 /nfs/dbraw/zinc/17/76/49/395177649.db2.gz UCFZYKOHSJOOKR-CABCVRRESA-N 0 3 296.374 2.253 20 30 CEEDHN C[C@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000182000452 395228826 /nfs/dbraw/zinc/22/88/26/395228826.db2.gz LPYBTLAKUNMURA-GXTWGEPZSA-N 0 3 299.374 2.003 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H](C)CC(C)C)CC1 ZINC000179218781 395184744 /nfs/dbraw/zinc/18/47/44/395184744.db2.gz YDLQLLMQWLMZMN-CYBMUJFWSA-N 0 3 267.417 2.371 20 30 CEEDHN C[C@@H]1COCCN1C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000518674290 395190914 /nfs/dbraw/zinc/19/09/14/395190914.db2.gz REWOSWCWAPWRDQ-OAHLLOKOSA-N 0 3 299.418 2.243 20 30 CEEDHN N#CC1(CCN2CCC[C@H](OCCO)C2)CCCCC1 ZINC000411283707 395324989 /nfs/dbraw/zinc/32/49/89/395324989.db2.gz QQJYCHWBTVNAGR-HNNXBMFYSA-N 0 3 280.412 2.324 20 30 CEEDHN CC1(C)CCCN[C@H]1C(=O)N1Cc2cccc(C#N)c2C1 ZINC000405076785 395287942 /nfs/dbraw/zinc/28/79/42/395287942.db2.gz MPNWWBUHXHKVFJ-HNNXBMFYSA-N 0 3 283.375 2.179 20 30 CEEDHN C=CCOc1ccc(C(=O)N2CCN(C)CC[C@@H]2C)cc1 ZINC000354010711 395313181 /nfs/dbraw/zinc/31/31/81/395313181.db2.gz YBBZVXCZHWVHQG-AWEZNQCLSA-N 0 3 288.391 2.418 20 30 CEEDHN C=CCN(CCc1ccccc1)C[C@](C)(O)C(C)=O ZINC000411197507 395322035 /nfs/dbraw/zinc/32/20/35/395322035.db2.gz VWORVQPUYORRKI-INIZCTEOSA-N 0 3 261.365 2.057 20 30 CEEDHN C#CCN(C)CCCNC(=O)C(C)(C)c1ccccc1F ZINC000293961134 395260608 /nfs/dbraw/zinc/26/06/08/395260608.db2.gz LCNMSPFJWWQGAN-UHFFFAOYSA-N 0 3 290.382 2.175 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@H](C)c1ccccc1 ZINC000294028341 395263235 /nfs/dbraw/zinc/26/32/35/395263235.db2.gz RHFKGEXLMSSUSQ-HNNXBMFYSA-N 0 3 272.392 2.252 20 30 CEEDHN Cc1nc2cc(CNC(=O)C(C)C#N)ccc2n1C1CC1 ZINC000412331363 395355010 /nfs/dbraw/zinc/35/50/10/395355010.db2.gz NPTIEGGALFGISX-JTQLQIEISA-N 0 3 282.347 2.456 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NCc2ccccc2OCCO)C1 ZINC000192893930 395395707 /nfs/dbraw/zinc/39/57/07/395395707.db2.gz MTVUFXMXBWHZLL-HIFRSBDPSA-N 0 3 274.364 2.230 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1cn2ccccc2n1 ZINC000411635968 395333818 /nfs/dbraw/zinc/33/38/18/395333818.db2.gz CROQNFSRUQAYFB-UHFFFAOYSA-N 0 3 272.396 2.274 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1ccc(CO)cc1 ZINC000411637815 395334085 /nfs/dbraw/zinc/33/40/85/395334085.db2.gz GHTDVJPRYKNQLR-UHFFFAOYSA-N 0 3 262.397 2.119 20 30 CEEDHN C=CCN(C)CCN(CC)CCc1c(C)noc1C ZINC000411643523 395334668 /nfs/dbraw/zinc/33/46/68/395334668.db2.gz OXQHHZXLLQJDKB-UHFFFAOYSA-N 0 3 265.401 2.274 20 30 CEEDHN C[C@@H](CNC(=O)Cc1ccc(C#N)cc1)N1CCC(C)CC1 ZINC000194877821 395452081 /nfs/dbraw/zinc/45/20/81/395452081.db2.gz NNSYQILVAOTEQG-HNNXBMFYSA-N 0 3 299.418 2.337 20 30 CEEDHN N#Cc1cccc(C(=O)NC[C@H]2CCN2C2CCCC2)c1 ZINC000530025076 395453640 /nfs/dbraw/zinc/45/36/40/395453640.db2.gz GZEUZMCAENHJJN-MRXNPFEDSA-N 0 3 283.375 2.305 20 30 CEEDHN CCNC(=O)C(C)(C)CNCc1ccc(C#N)c(C)c1 ZINC000443984834 395408432 /nfs/dbraw/zinc/40/84/32/395408432.db2.gz GKBPVTLUKNWTBU-UHFFFAOYSA-N 0 3 273.380 2.119 20 30 CEEDHN Cc1cc(CN[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1C#N ZINC000444001393 395410249 /nfs/dbraw/zinc/41/02/49/395410249.db2.gz YDWZQADMYIWQGY-OAHLLOKOSA-N 0 3 285.391 2.356 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccccc2)CC1 ZINC000194314613 395432631 /nfs/dbraw/zinc/43/26/31/395432631.db2.gz DBTHVOPFWBTRCL-UHFFFAOYSA-N 0 3 272.392 2.386 20 30 CEEDHN C=CCOc1ccccc1C(=O)N[C@H]1CCCN(CC)C1 ZINC000194654924 395445263 /nfs/dbraw/zinc/44/52/63/395445263.db2.gz AZBHJFNYSCBXBV-AWEZNQCLSA-N 0 3 288.391 2.466 20 30 CEEDHN Cc1cc(C)cc([C@@H](C)NC[C@@H](O)CN(C)CCC#N)c1 ZINC000566969141 395534536 /nfs/dbraw/zinc/53/45/36/395534536.db2.gz WAQWXPKYODVMEV-NVXWUHKLSA-N 0 3 289.423 2.160 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC[C@H](C#N)CCC#N ZINC000567891823 395540351 /nfs/dbraw/zinc/54/03/51/395540351.db2.gz UZPMFNRMGGLYTG-LSDHHAIUSA-N 0 3 262.401 2.284 20 30 CEEDHN CC(C)[C@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000446727954 395497341 /nfs/dbraw/zinc/49/73/41/395497341.db2.gz YOXZTPGBIQVXKN-INIZCTEOSA-N 0 3 285.391 2.152 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN[C@H]2CCC23CCCC3)c1 ZINC000451461394 395620492 /nfs/dbraw/zinc/62/04/92/395620492.db2.gz UIIOBZXXGKKMAU-INIZCTEOSA-N 0 3 297.402 2.487 20 30 CEEDHN N#Cc1ccc(CN[C@@H]([C@@H](CO)C2CC2)C2CC2)o1 ZINC000449514160 395552550 /nfs/dbraw/zinc/55/25/50/395552550.db2.gz XTAJSRZVHPCHSW-LSDHHAIUSA-N 0 3 260.337 2.038 20 30 CEEDHN CC[C@@H]1CN(CC)CCN1Cc1ccc(C#N)cc1 ZINC000449564942 395555332 /nfs/dbraw/zinc/55/53/32/395555332.db2.gz FIEJRQJJAGMFHX-MRXNPFEDSA-N 0 3 257.381 2.474 20 30 CEEDHN CC[C@H]1CN(CC)CCN1Cc1cccc(C#N)c1 ZINC000449566381 395555426 /nfs/dbraw/zinc/55/54/26/395555426.db2.gz OGSBBQUDTGBEHC-INIZCTEOSA-N 0 3 257.381 2.474 20 30 CEEDHN N#Cc1ccc(CN[C@H]2C[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000449750301 395560480 /nfs/dbraw/zinc/56/04/80/395560480.db2.gz IMRPKJDOPBKLHP-PHIMTYICSA-N 0 3 270.254 2.190 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cc(OC)c(OC)cc1F ZINC000568635931 395563799 /nfs/dbraw/zinc/56/37/99/395563799.db2.gz XFDTUZDTCOXWCY-LLVKDONJSA-N 0 3 283.343 2.117 20 30 CEEDHN CC(C)N1CC[C@H](N(C)c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000450953081 395581798 /nfs/dbraw/zinc/58/17/98/395581798.db2.gz WWCVTXOXCRTAQM-ZDUSSCGKSA-N 0 3 288.351 2.385 20 30 CEEDHN Cc1cnc(CCNCc2ccc(C#N)cc2F)cn1 ZINC000453597071 395628406 /nfs/dbraw/zinc/62/84/06/395628406.db2.gz MXWSLEITSAEOSW-UHFFFAOYSA-N 0 3 270.311 2.128 20 30 CEEDHN CN(CCNC(=O)C(C)(C)Cc1ccc(C#N)cc1)C1CC1 ZINC000455006274 395630038 /nfs/dbraw/zinc/63/00/38/395630038.db2.gz HUYWLGQFJYPWLN-UHFFFAOYSA-N 0 3 299.418 2.337 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N[C@H]2CCCN(C)[C@@H]2C)c1 ZINC000455953078 395632119 /nfs/dbraw/zinc/63/21/19/395632119.db2.gz JRDMCLDKUBAQLY-DOMZBBRYSA-N 0 3 286.379 2.471 20 30 CEEDHN CC[C@@H]1OCC[C@H]1NCc1ccc(C#N)cc1OC ZINC000459767321 395666775 /nfs/dbraw/zinc/66/67/75/395666775.db2.gz FCXMMXMRGLXORZ-KGLIPLIRSA-N 0 3 260.337 2.224 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccccc1SCC ZINC000491441507 395669558 /nfs/dbraw/zinc/66/95/58/395669558.db2.gz WEDOSEXXBAVWEA-UHFFFAOYSA-N 0 3 290.432 2.484 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1CC(C(C)(C)C)C1 ZINC000491485334 395669981 /nfs/dbraw/zinc/66/99/81/395669981.db2.gz OHVSXNPTRZPCMW-UHFFFAOYSA-N 0 3 264.413 2.130 20 30 CEEDHN CC1=CCN(CCNC(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000492585684 395671141 /nfs/dbraw/zinc/67/11/41/395671141.db2.gz XUWRBAXACDDQLM-AATRIKPKSA-N 0 3 295.386 2.340 20 30 CEEDHN CC(C)[C@@H]1CN(C(=O)/C=C/c2ccc(C#N)cc2)CCN1C ZINC000493376875 395671417 /nfs/dbraw/zinc/67/14/17/395671417.db2.gz AMJWOCBOFHPPQA-IJDCCNJMSA-N 0 3 297.402 2.370 20 30 CEEDHN C=CCN(CCc1c[nH]nn1)Cc1ccccc1F ZINC000647960230 395785576 /nfs/dbraw/zinc/78/55/76/395785576.db2.gz LUSNHOZSPPBFDG-UHFFFAOYSA-N 0 3 260.316 2.175 20 30 CEEDHN C=CCn1cc(C(=O)Nc2cc(CN(C)C)ccc2C)nn1 ZINC000648809954 395990118 /nfs/dbraw/zinc/99/01/18/395990118.db2.gz HEYGRLXYUAKFDN-UHFFFAOYSA-N 0 3 299.378 2.086 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)C[C@@H]1CCOC1 ZINC000154596079 289150687 /nfs/dbraw/zinc/15/06/87/289150687.db2.gz NJWVBQQBWGDLHA-ZDUSSCGKSA-N 0 3 260.337 2.035 20 30 CEEDHN CS[C@H](CO)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000181785028 400289463 /nfs/dbraw/zinc/28/94/63/400289463.db2.gz UWKGGWVUMYRPPB-UHIISALHSA-N 0 3 264.394 2.321 20 30 CEEDHN C[C@H](C(=O)N[C@H]1CCN(C)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000360290856 155262027 /nfs/dbraw/zinc/26/20/27/155262027.db2.gz SEINNFSXIPCLRL-XEZPLFJOSA-N 0 3 285.391 2.261 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000360338992 155275960 /nfs/dbraw/zinc/27/59/60/155275960.db2.gz ZELBUFHJEIYREB-GDZNZVCISA-N 0 3 297.402 2.261 20 30 CEEDHN C[C@@H](C(=O)N(C)CCN(C)C1CC1)c1cccc(C#N)c1 ZINC000360652635 155344993 /nfs/dbraw/zinc/34/49/93/155344993.db2.gz MTTJEDYLNREERF-CYBMUJFWSA-N 0 3 285.391 2.214 20 30 CEEDHN CSCCN1CCCN(c2ccccc2C#N)CC1 ZINC000193239526 153231892 /nfs/dbraw/zinc/23/18/92/153231892.db2.gz ULDHSCNJYQRQNX-UHFFFAOYSA-N 0 3 275.421 2.433 20 30 CEEDHN Cc1nnc(N[C@H]2CN(C(C)C)C[C@H]2C)c(C#N)c1C ZINC000268272802 154143106 /nfs/dbraw/zinc/14/31/06/154143106.db2.gz UOKAWGKEWHNOAR-YGRLFVJLSA-N 0 3 273.384 2.106 20 30 CEEDHN N#Cc1ccccc1OCCN1CC[C@@]2(C1)CCCOC2 ZINC000367066614 156123939 /nfs/dbraw/zinc/12/39/39/156123939.db2.gz KDWKVCAYLXUVGS-QGZVFWFLSA-N 0 3 286.375 2.440 20 30 CEEDHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(C#N)s1 ZINC000367068040 156126880 /nfs/dbraw/zinc/12/68/80/156126880.db2.gz PNIWIRRIJAKHHW-FMSQNYNMSA-N 0 3 289.404 2.328 20 30 CEEDHN COc1cc(CN2CC[C@@H](c3nccn3C)C2)ccc1C#N ZINC000368135032 156291351 /nfs/dbraw/zinc/29/13/51/156291351.db2.gz OBSDKFJDSURALN-OAHLLOKOSA-N 0 3 296.374 2.290 20 30 CEEDHN C[C@]1(NCC(=O)Nc2ccc(C#N)cc2)CCO[C@H]1C1CC1 ZINC000371715380 156694340 /nfs/dbraw/zinc/69/43/40/156694340.db2.gz JWYFJPBBTVVFEQ-IRXDYDNUSA-N 0 3 299.374 2.044 20 30 CEEDHN C[C@@H]1CC[C@H](N[C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000351291016 296737286 /nfs/dbraw/zinc/73/72/86/296737286.db2.gz QOPITJSLFAMPGO-MPTQWLOMSA-N 0 3 285.391 2.499 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)/C=C/c3ccccc3C#N)C[C@@H]21 ZINC000375023418 157037668 /nfs/dbraw/zinc/03/76/68/157037668.db2.gz UOYWSZCOOLPKQD-PDZIMXBZSA-N 0 3 295.386 2.124 20 30 CEEDHN C[C@@H]1C[C@H](Nc2ccncc2C#N)CN1Cc1ccccc1 ZINC000375389353 157090425 /nfs/dbraw/zinc/09/04/25/157090425.db2.gz GDWPLYOXWVJVGT-PBHICJAKSA-N 0 3 292.386 2.450 20 30 CEEDHN C[C@H]1CN(CCC(=O)Nc2sccc2C#N)CCCO1 ZINC000170773584 165042092 /nfs/dbraw/zinc/04/20/92/165042092.db2.gz PIBJAAMBMLDMDY-NSHDSACASA-N 0 3 293.392 2.059 20 30 CEEDHN COc1ccc(CN[C@H]2Cc3ccccc3[C@H]2O)cc1C#N ZINC000174400794 165102652 /nfs/dbraw/zinc/10/26/52/165102652.db2.gz UMHUQNJAJLJQNN-FUHWJXTLSA-N 0 3 294.354 2.315 20 30 CEEDHN N#Cc1cc(F)ccc1CN1CCN2CCCC[C@@H]2C1 ZINC000177752101 165206759 /nfs/dbraw/zinc/20/67/59/165206759.db2.gz XYDOGXASNIDINU-MRXNPFEDSA-N 0 3 273.355 2.367 20 30 CEEDHN CN(Cc1ccc(C#N)s1)[C@@H](CO)C(C)(C)C ZINC000180145842 165302312 /nfs/dbraw/zinc/30/23/12/165302312.db2.gz PDDXQIGHKGSQDG-LBPRGKRZSA-N 0 3 252.383 2.459 20 30 CEEDHN CO[C@H]1C[C@@H](NCc2ccc(C#N)cn2)C12CCC2 ZINC000563510449 298780951 /nfs/dbraw/zinc/78/09/51/298780951.db2.gz LZRQLUDEAIMALF-KGLIPLIRSA-N 0 3 257.337 2.000 20 30 CEEDHN C[C@H](N[C@@H](CO)C[C@H](O)C(C)(C)C)c1ccc(C#N)cc1 ZINC000284578721 196089476 /nfs/dbraw/zinc/08/94/76/196089476.db2.gz ZCQXELJEPDHWHT-MAZHCROVSA-N 0 3 290.407 2.367 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)c1cccc(CC#N)c1 ZINC000171562356 335070982 /nfs/dbraw/zinc/07/09/82/335070982.db2.gz MLIGHGHBWHPVMO-UHFFFAOYSA-N 0 3 285.391 2.166 20 30 CEEDHN CC(C)COC[C@@H](O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000037502429 173239444 /nfs/dbraw/zinc/23/94/44/173239444.db2.gz RZJNHGSQJAXUJK-CJNGLKHVSA-N 0 3 276.380 2.242 20 30 CEEDHN C=CCN1CC[C@H](N(C)C[C@@H]2CC[C@H]3C[C@H]3C2)C1=O ZINC000660464728 414835237 /nfs/dbraw/zinc/83/52/37/414835237.db2.gz RZLBABGXRNNFKX-BARDWOONSA-N 0 3 262.397 2.141 20 30 CEEDHN C=CCCn1cc(CNC[C@@H](C)N2CCC[C@@H](C)C2)nn1 ZINC000657310559 414850606 /nfs/dbraw/zinc/85/06/06/414850606.db2.gz MWUPYOUDMOXDSG-HUUCEWRRSA-N 0 3 291.443 2.064 20 30 CEEDHN COc1ccccc1CCN(C)CCOCCC#N ZINC000338963867 414875583 /nfs/dbraw/zinc/87/55/83/414875583.db2.gz QPXRHWQQRZKLDQ-UHFFFAOYSA-N 0 3 262.353 2.100 20 30 CEEDHN C=C(CC)CN[C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660601195 414893210 /nfs/dbraw/zinc/89/32/10/414893210.db2.gz BZYRNEZYENATGZ-CQSZACIVSA-N 0 3 263.385 2.180 20 30 CEEDHN C=CCOc1ccc(CNC[C@@H](OC)[C@@H]2CCOC2)cc1 ZINC000657543395 414994442 /nfs/dbraw/zinc/99/44/42/414994442.db2.gz LLBSOGOKTCIMLA-NVXWUHKLSA-N 0 3 291.391 2.393 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000660858278 415011098 /nfs/dbraw/zinc/01/10/98/415011098.db2.gz HAWJOQPTTFLAEP-RBSFLKMASA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCOCCCNCc1c[nH]nc1C(C)(C)C ZINC000657658288 415038456 /nfs/dbraw/zinc/03/84/56/415038456.db2.gz RDCOMNHJHSXMEX-UHFFFAOYSA-N 0 3 251.374 2.390 20 30 CEEDHN C=CCN(C[C@H](O)C1CCCCC1)[C@H](C)COC ZINC000661240595 415151989 /nfs/dbraw/zinc/15/19/89/415151989.db2.gz OVUNIGKIFPYADP-HIFRSBDPSA-N 0 3 255.402 2.451 20 30 CEEDHN C=CCN(CCOCC(F)(F)F)[C@@H](C)COC ZINC000661243882 415155488 /nfs/dbraw/zinc/15/54/88/415155488.db2.gz NUCYZHZVFXRTAR-JTQLQIEISA-N 0 3 255.280 2.088 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCN(C(C)(C)CC)CC1 ZINC000653808470 415112844 /nfs/dbraw/zinc/11/28/44/415112844.db2.gz URWKDSBOUZFRPN-UHFFFAOYSA-N 0 3 295.471 2.217 20 30 CEEDHN CC[C@H](C#N)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000044810044 175257391 /nfs/dbraw/zinc/25/73/91/175257391.db2.gz QKIVAZDJYAQJEM-OAHLLOKOSA-N 0 3 285.391 2.317 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(Br)cc1 ZINC000044812225 175258044 /nfs/dbraw/zinc/25/80/44/175258044.db2.gz PQPWVGYNBSQRHO-MRVPVSSYSA-N 0 3 267.126 2.225 20 30 CEEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc(C(N)=O)cs1 ZINC000658235651 415267949 /nfs/dbraw/zinc/26/79/49/415267949.db2.gz QDMCMOPVOIMFRT-WDEREUQCSA-N 0 3 279.409 2.467 20 30 CEEDHN C=CC[C@H]1CCCN([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000661379453 415230379 /nfs/dbraw/zinc/23/03/79/415230379.db2.gz BYTRVYPDBGPZPO-UONOGXRCSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CC[C@H]1CCCN(CC(=O)NCCOCCCC)C1 ZINC000661378704 415230989 /nfs/dbraw/zinc/23/09/89/415230989.db2.gz KTPCXBAAHIWQAP-HNNXBMFYSA-N 0 3 282.428 2.207 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](CCF)C1 ZINC000661696069 415405776 /nfs/dbraw/zinc/40/57/76/415405776.db2.gz XKYVNFZEGLDDKW-CQSZACIVSA-N 0 3 270.392 2.483 20 30 CEEDHN O[C@@]1(C2CC2)CCCN(CC#Cc2ccccc2)C1 ZINC000661630721 415367805 /nfs/dbraw/zinc/36/78/05/415367805.db2.gz HZNVGOTWSNWUCC-KRWDZBQOSA-N 0 3 255.361 2.275 20 30 CEEDHN COCC#CCN[C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661837435 415491502 /nfs/dbraw/zinc/49/15/02/415491502.db2.gz BOESAOFHLJVVQZ-KBPBESRZSA-N 0 3 265.397 2.352 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc2n(n1)CCCC2 ZINC000655768435 415446883 /nfs/dbraw/zinc/44/68/83/415446883.db2.gz ZZSSJHRAGCTNIE-XJKSGUPXSA-N 0 3 275.396 2.290 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCC(C)C ZINC000662080173 415616332 /nfs/dbraw/zinc/61/63/32/415616332.db2.gz ITWFYFXLDVRLEA-MCIONIFRSA-N 0 3 250.386 2.330 20 30 CEEDHN CCC#C[C@H](C)N1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000662115445 415631511 /nfs/dbraw/zinc/63/15/11/415631511.db2.gz LOVDGPRSXMEXEA-UONOGXRCSA-N 0 3 250.386 2.025 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N(C)C[C@H]1CCc2ccccc21 ZINC000662199845 415681214 /nfs/dbraw/zinc/68/12/14/415681214.db2.gz ATGOIMBBUKHLKM-UKRRQHHQSA-N 0 3 272.392 2.339 20 30 CEEDHN C=CCCCN(C)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000659941291 415796699 /nfs/dbraw/zinc/79/66/99/415796699.db2.gz MEMMOHONQPSGMC-MGPQQGTHSA-N 0 3 250.386 2.332 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@H]1CCCC[C@H]1O ZINC000077205601 177233499 /nfs/dbraw/zinc/23/34/99/177233499.db2.gz LQYMENZGOLGWKC-GOEBONIOSA-N 0 3 273.376 2.339 20 30 CEEDHN COc1cc(C#N)ccc1OCCN(C)C[C@@H]1CCCO1 ZINC000077277128 177247755 /nfs/dbraw/zinc/24/77/55/177247755.db2.gz UAPLBNQXDQUPQC-AWEZNQCLSA-N 0 3 290.363 2.056 20 30 CEEDHN CC(C)N(CC(=O)N[C@@](C)(C#N)C1CC1)C1CCC1 ZINC000077358019 177256927 /nfs/dbraw/zinc/25/69/27/177256927.db2.gz BKPADICGHZVBEW-HNNXBMFYSA-N 0 3 263.385 2.058 20 30 CEEDHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2)C1 ZINC000077457293 177271389 /nfs/dbraw/zinc/27/13/89/177271389.db2.gz NOZIAYXVXRFHND-HUUCEWRRSA-N 0 3 292.404 2.004 20 30 CEEDHN CN(C)CCOc1cccc(NC(=O)NCCCC#N)c1 ZINC000344914861 225203097 /nfs/dbraw/zinc/20/30/97/225203097.db2.gz ZVLCJTQNOUGBJC-UHFFFAOYSA-N 0 3 290.367 2.052 20 30 CEEDHN C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)CN1 ZINC000334867047 225341790 /nfs/dbraw/zinc/34/17/90/225341790.db2.gz RFYHKSACLXXCRN-NXEZZACHSA-N 0 3 292.770 2.426 20 30 CEEDHN CC(C#N)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000347073217 226014808 /nfs/dbraw/zinc/01/48/08/226014808.db2.gz BCNHFZJYTAXHKS-QMMMGPOBSA-N 0 3 290.710 2.166 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000347128511 226038276 /nfs/dbraw/zinc/03/82/76/226038276.db2.gz GCEPTSOMPIFJJK-BNOWGMLFSA-N 0 3 258.321 2.183 20 30 CEEDHN N#CCC[C@H](NC(=O)N1CCCNCC1)c1ccccc1 ZINC000417920194 227175353 /nfs/dbraw/zinc/17/53/53/227175353.db2.gz QOCQQVNAPREIRK-HNNXBMFYSA-N 0 3 286.379 2.036 20 30 CEEDHN CN(C)CCN(C(=O)CC(C)(C)C#N)C1CCCC1 ZINC000354930537 227246522 /nfs/dbraw/zinc/24/65/22/227246522.db2.gz MKKXJQOKBDPRFH-UHFFFAOYSA-N 0 3 265.401 2.259 20 30 CEEDHN Cn1ccc(CNC(=O)[C@H]2CCCN2C2CCCC2)n1 ZINC000329007989 227255393 /nfs/dbraw/zinc/25/53/93/227255393.db2.gz ZOJVSKZPGDJNAE-CQSZACIVSA-N 0 3 276.384 2.284 20 30 CEEDHN C[C@@H]1COCCN1CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000192703055 227266770 /nfs/dbraw/zinc/26/67/70/227266770.db2.gz FUBWTOXNYPJMDK-OAHLLOKOSA-N 0 3 299.418 2.243 20 30 CEEDHN C[C@@H]1CC(=O)N[C@H](C(=O)NCC2(N(C)C)CCC2)C1 ZINC000329039815 227269636 /nfs/dbraw/zinc/26/96/36/227269636.db2.gz ZZEMFHLNPOLAJA-QWRGUYRKSA-N 0 3 267.373 2.182 20 30 CEEDHN CC(C#N)C(=O)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000334143729 227331993 /nfs/dbraw/zinc/33/19/93/227331993.db2.gz RNHYOZWIBXAYIH-VIFPVBQESA-N 0 3 264.275 2.125 20 30 CEEDHN Cc1nnc(NC(=O)CC2CCN(C)CC2)n1C1CC1 ZINC000330194930 228062814 /nfs/dbraw/zinc/06/28/14/228062814.db2.gz ZHDNOZUCHUUTHO-UHFFFAOYSA-N 0 3 277.372 2.241 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCN(CCC)C1 ZINC000666923123 419476462 /nfs/dbraw/zinc/47/64/62/419476462.db2.gz FBRUFWHYXDDWGL-UONOGXRCSA-N 0 3 265.401 2.221 20 30 CEEDHN C[C@H](C#N)CN(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000297956472 260138912 /nfs/dbraw/zinc/13/89/12/260138912.db2.gz WCKJMFXKWIVZKF-ZBFHGGJFSA-N 0 3 257.381 2.352 20 30 CEEDHN C=CCNC(=O)CNCCc1ccc(C(C)(C)C)cc1 ZINC000298782980 260162275 /nfs/dbraw/zinc/16/22/75/260162275.db2.gz VBWRFDTVDWPUCQ-UHFFFAOYSA-N 0 3 274.408 2.418 20 30 CEEDHN C#CCN(CC)C(=O)c1cccc(CN2CCCC2)c1 ZINC000299126312 260173326 /nfs/dbraw/zinc/17/33/26/260173326.db2.gz IYTNSNXUYZDETR-UHFFFAOYSA-N 0 3 270.376 2.378 20 30 CEEDHN C#CCN(CC)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000299124273 260173470 /nfs/dbraw/zinc/17/34/70/260173470.db2.gz FLAPRCMIQFECJS-KRWDZBQOSA-N 0 3 299.418 2.488 20 30 CEEDHN COCCN(Cc1cc(C#N)n(C)c1)[C@H]1CCCSC1 ZINC000448363235 261128920 /nfs/dbraw/zinc/12/89/20/261128920.db2.gz QFKWQAGRQVPXNT-AWEZNQCLSA-N 0 3 293.436 2.241 20 30 CEEDHN C=CCCCNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000448387202 261137870 /nfs/dbraw/zinc/13/78/70/261137870.db2.gz WZNFVZYLWUQRMB-UONOGXRCSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CCOc1ccc(C(=O)N(C)CCN2CCCC2)cc1 ZINC000103117906 261275296 /nfs/dbraw/zinc/27/52/96/261275296.db2.gz QVPOSGFNLJWINE-UHFFFAOYSA-N 0 3 288.391 2.419 20 30 CEEDHN C#CCN(Cc1ccccc1)C[C@H](O)CCOC(C)C ZINC000491072580 261319016 /nfs/dbraw/zinc/31/90/16/261319016.db2.gz TUMWHNPEGJKZDQ-QGZVFWFLSA-N 0 3 275.392 2.298 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@@H](Cc2ccccc2)C1 ZINC000371547986 261322952 /nfs/dbraw/zinc/32/29/52/261322952.db2.gz DOOMDFUAKHETLX-INIZCTEOSA-N 0 3 272.392 2.243 20 30 CEEDHN CCCCCCCCOCC(=O)N1CCCNCC1 ZINC000103398750 261328677 /nfs/dbraw/zinc/32/86/77/261328677.db2.gz AJDKBPSFDMWQCS-UHFFFAOYSA-N 0 3 270.417 2.185 20 30 CEEDHN C#CCN(C)CCCNC(=O)C/C=C\c1ccccc1F ZINC000491229218 261379910 /nfs/dbraw/zinc/37/99/10/261379910.db2.gz FVXFWURUNPSOAB-TWGQIWQCSA-N 0 3 288.366 2.300 20 30 CEEDHN C#CCN1CCC(C(=O)NCC(C)(C)CC=C)CC1 ZINC000491229295 261380820 /nfs/dbraw/zinc/38/08/20/261380820.db2.gz GOEGYUVDULOPPG-UHFFFAOYSA-N 0 3 262.397 2.050 20 30 CEEDHN COC(=O)C(C)(C)CNC1CC(C#N)(c2ccccc2)C1 ZINC000313970875 261550213 /nfs/dbraw/zinc/55/02/13/261550213.db2.gz NUUQCKKMAHGULP-UHFFFAOYSA-N 0 3 286.375 2.399 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@@H](C)CC(F)(F)F)CC1 ZINC000491813046 262086800 /nfs/dbraw/zinc/08/68/00/262086800.db2.gz AAHGJMSBWZLSEZ-NSHDSACASA-N 0 3 290.329 2.036 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000497272638 262130207 /nfs/dbraw/zinc/13/02/07/262130207.db2.gz SGMFCFDCSTWJDR-GRYCIOLGSA-N 0 3 295.383 2.050 20 30 CEEDHN CC(C)(C#N)CCCCN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000364354905 262214990 /nfs/dbraw/zinc/21/49/90/262214990.db2.gz RAORLPIMZGADOT-JKSUJKDBSA-N 0 3 293.455 2.237 20 30 CEEDHN CC[C@@H](CO)NCc1cccc(OCCCC#N)c1 ZINC000186520523 262315896 /nfs/dbraw/zinc/31/58/96/262315896.db2.gz KCDLMIHBMKSXDO-AWEZNQCLSA-N 0 3 262.353 2.230 20 30 CEEDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C1(C#N)CCCC1 ZINC000365638121 262376681 /nfs/dbraw/zinc/37/66/81/262376681.db2.gz XKZOGCHJKVVEIX-ZIAGYGMSSA-N 0 3 275.396 2.156 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1conc1CC ZINC000339384598 262636413 /nfs/dbraw/zinc/63/64/13/262636413.db2.gz GVQDKILLYMTAAZ-BXUZGUMPSA-N 0 3 250.342 2.308 20 30 CEEDHN COC(=O)c1coc([C@H](C)NCCCCC#N)c1 ZINC000278156545 263045557 /nfs/dbraw/zinc/04/55/57/263045557.db2.gz APMMUZQQYLEBAH-JTQLQIEISA-N 0 3 250.298 2.411 20 30 CEEDHN CC1(C)C[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279412016 263055399 /nfs/dbraw/zinc/05/53/99/263055399.db2.gz CAQQFFLGFFKSBE-KBPBESRZSA-N 0 3 267.332 2.155 20 30 CEEDHN C[C@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)N(C)C ZINC000280146176 263059431 /nfs/dbraw/zinc/05/94/31/263059431.db2.gz DZFQSCZFSPLALG-GFCCVEGCSA-N 0 3 273.380 2.168 20 30 CEEDHN CSCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280440761 263061799 /nfs/dbraw/zinc/06/17/99/263061799.db2.gz MZISHADXTRMPQB-CQSZACIVSA-N 0 3 287.388 2.110 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NCc1ccccc1CN(C)C ZINC000285143174 263090439 /nfs/dbraw/zinc/09/04/39/263090439.db2.gz XBAOVNKVVRZDEM-MRXNPFEDSA-N 0 3 273.380 2.304 20 30 CEEDHN COc1ccc([C@@H](CN(C)C)NC(=O)CCCC#N)cc1 ZINC000291402070 263122341 /nfs/dbraw/zinc/12/23/41/263122341.db2.gz HBZSKMJUXXPJMR-OAHLLOKOSA-N 0 3 289.379 2.108 20 30 CEEDHN CCc1ccc([C@@H](C#N)NC(=O)Cc2nc[nH]c2C)cc1 ZINC000293182512 263138449 /nfs/dbraw/zinc/13/84/49/263138449.db2.gz DEWJBRJWMAOWDK-OAHLLOKOSA-N 0 3 282.347 2.204 20 30 CEEDHN CN(C[C@H](O)Cc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC000293726425 263148231 /nfs/dbraw/zinc/14/82/31/263148231.db2.gz YVVUYOCPSOVPIE-OWCLPIDISA-N 0 3 258.365 2.214 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@H](OCc3ccncc3)C2)C1 ZINC000294280984 263159081 /nfs/dbraw/zinc/15/90/81/263159081.db2.gz WBLHLPUBTZVLKH-BZUAXINKSA-N 0 3 271.364 2.365 20 30 CEEDHN C#CCCN(C)C[C@H](O)c1ccccc1Br ZINC000295337436 263176220 /nfs/dbraw/zinc/17/62/20/263176220.db2.gz NFOXFGAQAKIEQI-ZDUSSCGKSA-N 0 3 282.181 2.438 20 30 CEEDHN C=CCCC[C@@H](C)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000340902012 263309407 /nfs/dbraw/zinc/30/94/07/263309407.db2.gz SOOIWJYELXXNBU-CHWSQXEVSA-N 0 3 259.415 2.098 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000340974456 263316892 /nfs/dbraw/zinc/31/68/92/263316892.db2.gz QVGUOYSEZRESGH-HONMWMINSA-N 0 3 291.782 2.361 20 30 CEEDHN C=CC[C@@H](CO)NCc1nc2ccc(OC)cc2s1 ZINC000341433600 263338114 /nfs/dbraw/zinc/33/81/14/263338114.db2.gz NMBGORHRIYLFOY-JTQLQIEISA-N 0 3 278.377 2.332 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)NCc2sc(C)nc2C)C1 ZINC000330934913 264079857 /nfs/dbraw/zinc/07/98/57/264079857.db2.gz KUCBTFOONLBLNR-GFCCVEGCSA-N 0 3 296.440 2.248 20 30 CEEDHN COC(=O)[C@@H]1CCN(Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000331067488 264112380 /nfs/dbraw/zinc/11/23/80/264112380.db2.gz RKIBTQPODRTVCW-XJKSGUPXSA-N 0 3 286.375 2.384 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000331197184 264159311 /nfs/dbraw/zinc/15/93/11/264159311.db2.gz NYIHXTAMUBJFPV-XHSDSOJGSA-N 0 3 286.375 2.179 20 30 CEEDHN C=CC[C@H]1N([C@H](C)C(=O)NC(=O)NCC)CCCC1(C)C ZINC000334108476 264235607 /nfs/dbraw/zinc/23/56/07/264235607.db2.gz CTEOOVXQPFHTQR-CHWSQXEVSA-N 0 3 295.427 2.287 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425447738 264325858 /nfs/dbraw/zinc/32/58/58/264325858.db2.gz SJYXEMDPSBSTML-APIJFGDWSA-N 0 3 292.427 2.241 20 30 CEEDHN C=CC[C@H](C)NC(=O)N(C)CC1(N(C)C)CCC1 ZINC000189868839 264335756 /nfs/dbraw/zinc/33/57/56/264335756.db2.gz LGOHCTYWWPBPHY-LBPRGKRZSA-N 0 3 253.390 2.077 20 30 CEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425468416 264341706 /nfs/dbraw/zinc/34/17/06/264341706.db2.gz DNSFNTJYOSGLDS-ZQDZILKHSA-N 0 3 292.427 2.098 20 30 CEEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000076734975 264342827 /nfs/dbraw/zinc/34/28/27/264342827.db2.gz GMUGZZABYVRBGK-LBPRGKRZSA-N 0 3 289.379 2.011 20 30 CEEDHN C#CCC(CC#C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000287720450 264634891 /nfs/dbraw/zinc/63/48/91/264634891.db2.gz DVVXQEDXCMZCHQ-CRAIPNDOSA-N 0 3 296.414 2.457 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cnc(Cl)cc2C)CC1 ZINC000135873963 264635116 /nfs/dbraw/zinc/63/51/16/264635116.db2.gz LHNFGGZDIZTAFH-UHFFFAOYSA-N 0 3 291.782 2.327 20 30 CEEDHN C=CCOCCN1CCC(O)(c2ccccc2)CC1 ZINC000294334330 265011614 /nfs/dbraw/zinc/01/16/14/265011614.db2.gz AJRTUCQSCFZQRG-UHFFFAOYSA-N 0 3 261.365 2.173 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](OC)C(C)(C)C1 ZINC000296040990 265034864 /nfs/dbraw/zinc/03/48/64/265034864.db2.gz OBZMGOLLUSQHPS-LSDHHAIUSA-N 0 3 294.439 2.322 20 30 CEEDHN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C(C)C#N)c1 ZINC000345754058 265096721 /nfs/dbraw/zinc/09/67/21/265096721.db2.gz RHCSNBJITHRAFY-VXGBXAGGSA-N 0 3 287.363 2.447 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1COc2cccc(Cl)c21 ZINC000356628828 266150886 /nfs/dbraw/zinc/15/08/86/266150886.db2.gz YSKSNOPUNAYTQX-APPZFPTMSA-N 0 3 250.685 2.049 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CCC1 ZINC000357791568 266363161 /nfs/dbraw/zinc/36/31/61/266363161.db2.gz NYUFMKQTGQHKOC-TZMCWYRMSA-N 0 3 262.397 2.332 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000357791107 266363601 /nfs/dbraw/zinc/36/36/01/266363601.db2.gz FTMDKBSXACDLTI-IUODEOHRSA-N 0 3 265.316 2.447 20 30 CEEDHN C=CCN1CCC(NC(=O)c2c(F)cccc2F)CC1 ZINC000357814270 266371199 /nfs/dbraw/zinc/37/11/99/266371199.db2.gz BYLCMYRJXRNLKX-UHFFFAOYSA-N 0 3 280.318 2.345 20 30 CEEDHN COc1ccc(OC)c([C@H](C)NC(=O)C(C)C#N)c1 ZINC000357845695 266375894 /nfs/dbraw/zinc/37/58/94/266375894.db2.gz ZHJRVOJWQJINQJ-ZJUUUORDSA-N 0 3 262.309 2.041 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000357917693 266385105 /nfs/dbraw/zinc/38/51/05/266385105.db2.gz QVUDNORVZJKEFX-MRVWCRGKSA-N 0 3 258.321 2.040 20 30 CEEDHN CC[C@H](NC(=O)C(C#N)CCc1ccccc1)C(C)(C)O ZINC000358647432 266486685 /nfs/dbraw/zinc/48/66/85/266486685.db2.gz HOAWTVQDSHFXIR-CABCVRRESA-N 0 3 288.391 2.425 20 30 CEEDHN C=CCNC(=O)CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360872736 266750411 /nfs/dbraw/zinc/75/04/11/266750411.db2.gz NZNAQTZKINLUAV-INIZCTEOSA-N 0 3 283.375 2.218 20 30 CEEDHN CC(C)[C@@H](NCc1nc(C#N)cs1)C1(CO)CCC1 ZINC000430111090 266940426 /nfs/dbraw/zinc/94/04/26/266940426.db2.gz NSALDCDZSVZFLO-CYBMUJFWSA-N 0 3 279.409 2.292 20 30 CEEDHN CC(C)[C@@H]1CN(Cc2ccc(F)cc2C#N)CCN1C ZINC000488019279 266946560 /nfs/dbraw/zinc/94/65/60/266946560.db2.gz XAAMJNMAGMRGHT-INIZCTEOSA-N 0 3 275.371 2.469 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000367976567 267131682 /nfs/dbraw/zinc/13/16/82/267131682.db2.gz LLUPNNJICGRWBV-ZIAGYGMSSA-N 0 3 278.396 2.199 20 30 CEEDHN CCO[C@@H]1COC[C@H]1N[C@@H](C)c1cccc(C#N)c1 ZINC000451942420 267149000 /nfs/dbraw/zinc/14/90/00/267149000.db2.gz BMFDGWKUFYIABZ-NILFDRSVSA-N 0 3 260.337 2.013 20 30 CEEDHN C[C@H](F)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000356702130 267168200 /nfs/dbraw/zinc/16/82/00/267168200.db2.gz HXJXUKMAUURUDD-SMDDNHRTSA-N 0 3 273.311 2.105 20 30 CEEDHN CC(C)(C#N)CCCCN1CCC[C@H](N2CCNC2=O)C1 ZINC000368439463 267173166 /nfs/dbraw/zinc/17/31/66/267173166.db2.gz VAAUGJQTLMVXEZ-AWEZNQCLSA-N 0 3 292.427 2.196 20 30 CEEDHN N#CC1(c2ccccc2)CC(NC2(CO)CCC2)C1 ZINC000368635680 267193037 /nfs/dbraw/zinc/19/30/37/267193037.db2.gz QIRPVORKXGODPF-UHFFFAOYSA-N 0 3 256.349 2.115 20 30 CEEDHN N#CC1(NC(=O)C2CCN(Cc3ccccc3)CC2)CCC1 ZINC000368824884 267208260 /nfs/dbraw/zinc/20/82/60/267208260.db2.gz UDSPCLNPHRUEND-UHFFFAOYSA-N 0 3 297.402 2.461 20 30 CEEDHN CC[C@H](NCCn1cnc(C#N)n1)c1ccc(F)cc1F ZINC000507206662 267221738 /nfs/dbraw/zinc/22/17/38/267221738.db2.gz BTGUAEHMDRLOTM-ZDUSSCGKSA-N 0 3 291.305 2.169 20 30 CEEDHN CC[C@H]1CN(CC)CCN1CCOc1cccc(C#N)c1 ZINC000451733904 267230411 /nfs/dbraw/zinc/23/04/11/267230411.db2.gz VQIOJLIJASUSIV-INIZCTEOSA-N 0 3 287.407 2.353 20 30 CEEDHN CN(C(=O)/C=C\c1cccc(C#N)c1)[C@H]1CN2CCC1CC2 ZINC000491799852 267269784 /nfs/dbraw/zinc/26/97/84/267269784.db2.gz WVXLVPZGWILPEK-OSJSJHBBSA-N 0 3 295.386 2.124 20 30 CEEDHN C=CCCCC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000370065914 267288327 /nfs/dbraw/zinc/28/83/27/267288327.db2.gz PSFFUBLIANVQQV-HRCADAONSA-N 0 3 294.439 2.348 20 30 CEEDHN CN1CCC[C@H](CNC(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000491562820 267338306 /nfs/dbraw/zinc/33/83/06/267338306.db2.gz OTQWVKRRCCIEAF-ROJDOSBLSA-N 0 3 283.375 2.029 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)/C=C\c3ccc(C#N)cc3)[C@@H]2C1 ZINC000492377018 267339520 /nfs/dbraw/zinc/33/95/20/267339520.db2.gz GONFQTVOSBFKND-TZNMXKOXSA-N 0 3 295.386 2.124 20 30 CEEDHN N#CC1(CNC2CCN(c3ccccn3)CC2)CCC1 ZINC000418142710 267363839 /nfs/dbraw/zinc/36/38/39/267363839.db2.gz NNUINXALGGTGOU-UHFFFAOYSA-N 0 3 270.380 2.334 20 30 CEEDHN COC(=O)N1CC(N[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000495876594 267373532 /nfs/dbraw/zinc/37/35/32/267373532.db2.gz OMAZZPRVRALRIJ-INIZCTEOSA-N 0 3 299.374 2.366 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000418150696 267375209 /nfs/dbraw/zinc/37/52/09/267375209.db2.gz RCSNUDHGAIFECP-ZIAGYGMSSA-N 0 3 261.369 2.340 20 30 CEEDHN Cc1ccc(C[C@H](CO)NCc2ccc(C#N)o2)cc1 ZINC000188986025 267417037 /nfs/dbraw/zinc/41/70/37/267417037.db2.gz ASJCOCWMYWFCBV-CQSZACIVSA-N 0 3 270.332 2.153 20 30 CEEDHN Cc1cc(CNCCOCC(F)F)ccc1C#N ZINC000443981040 267997426 /nfs/dbraw/zinc/99/74/26/267997426.db2.gz ABSYEMIWJHBKFD-UHFFFAOYSA-N 0 3 254.280 2.238 20 30 CEEDHN Cn1cc(CNCc2ccc(CC#N)cc2)cc1C#N ZINC000514860736 268128803 /nfs/dbraw/zinc/12/88/03/268128803.db2.gz UREWTGJPXLFXAK-UHFFFAOYSA-N 0 3 264.332 2.253 20 30 CEEDHN N#Cc1cccc(OCCCN2CC[C@@](O)(C(F)F)C2)c1 ZINC000451437190 268285182 /nfs/dbraw/zinc/28/51/82/268285182.db2.gz SPTZWCBYEGNFKD-HNNXBMFYSA-N 0 3 296.317 2.029 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000459462153 269657638 /nfs/dbraw/zinc/65/76/38/269657638.db2.gz KDPAQOJOKCYUMB-OKILXGFUSA-N 0 3 287.407 2.481 20 30 CEEDHN CCNC(=O)[C@H](C)N[C@@H](CC)c1ccc(C#N)cc1 ZINC000447513146 269658757 /nfs/dbraw/zinc/65/87/57/269658757.db2.gz SWSFXOHUKMEACM-FZMZJTMJSA-N 0 3 259.353 2.124 20 30 CEEDHN C[C@@H]1[C@H](C)N(Cc2cccc(F)c2C#N)CCN1C ZINC000428307350 271254988 /nfs/dbraw/zinc/25/49/88/271254988.db2.gz UIMGONJTUFZFBV-NEPJUHHUSA-N 0 3 261.344 2.222 20 30 CEEDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(C#N)o1 ZINC000429925007 271348512 /nfs/dbraw/zinc/34/85/12/271348512.db2.gz MBWUHKFWXKJTPZ-UHFFFAOYSA-N 0 3 297.358 2.355 20 30 CEEDHN CCn1cc(NC(=O)N2CCCC23CCN(C)CC3)cn1 ZINC000329012872 273780741 /nfs/dbraw/zinc/78/07/41/273780741.db2.gz PCSSVECSESGNJN-UHFFFAOYSA-N 0 3 291.399 2.009 20 30 CEEDHN C[C@@H](N[C@@H]1CCN(c2ccn(C)n2)C1)c1ccc(C#N)cc1 ZINC000372640922 274258433 /nfs/dbraw/zinc/25/84/33/274258433.db2.gz PZOXRHKCXYCJHH-CZUORRHYSA-N 0 3 295.390 2.221 20 30 CEEDHN C[C@@H]1CN(c2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000376211413 274362501 /nfs/dbraw/zinc/36/25/01/274362501.db2.gz OWBOREOPKKRRCX-CRAIPNDOSA-N 0 3 298.434 2.020 20 30 CEEDHN CN1CC[C@]2(CCN(c3nc4c(cc3C#N)CCCC4)C2)C1 ZINC000292213844 277186634 /nfs/dbraw/zinc/18/66/34/277186634.db2.gz HPUGRIQNJFXCEZ-SFHVURJKSA-N 0 3 296.418 2.364 20 30 CEEDHN CN1C[C@@H]2CCCN(c3ccc(F)cc3C#N)[C@@H]2C1 ZINC000334671438 277196018 /nfs/dbraw/zinc/19/60/18/277196018.db2.gz PBTOBSCPBFNHBG-XHDPSFHLSA-N 0 3 259.328 2.228 20 30 CEEDHN CNC(=O)[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000249393526 277241982 /nfs/dbraw/zinc/24/19/82/277241982.db2.gz SGPMVQBOZQFNKK-SWLSCSKDSA-N 0 3 271.364 2.077 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000345691557 277793247 /nfs/dbraw/zinc/79/32/47/277793247.db2.gz AYAXOJYXEBKLIA-JYJNAYRXSA-N 0 3 294.439 2.204 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(C)(C)OC)C(C)C ZINC000171668830 277847140 /nfs/dbraw/zinc/84/71/40/277847140.db2.gz YNNMSUHQSFIHCC-AWEZNQCLSA-N 0 3 282.428 2.226 20 30 CEEDHN C[C@@H](NC(=O)[C@@]1(C#N)CC12CCCC2)C1=CCN(C)CC1 ZINC000333683318 278329631 /nfs/dbraw/zinc/32/96/31/278329631.db2.gz LOYFTQQDFSKHLR-DYVFJYSZSA-N 0 3 287.407 2.227 20 30 CEEDHN C[S@](=O)C1(CN[C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353662184 280180119 /nfs/dbraw/zinc/18/01/19/280180119.db2.gz MHYYOXZSVFANPY-LIRRHRJNSA-N 0 3 274.389 2.046 20 30 CEEDHN Cc1cc(C)c(C#N)c(N2CC[C@H]3CC[C@@H](C2)N3C)n1 ZINC000091807111 280380797 /nfs/dbraw/zinc/38/07/97/280380797.db2.gz KYGCPKNPXWXOOY-KGLIPLIRSA-N 0 3 270.380 2.243 20 30 CEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C[C@H]1CCCO1 ZINC000349081006 289146378 /nfs/dbraw/zinc/14/63/78/289146378.db2.gz UMQNKGNBZINAOB-QGZVFWFLSA-N 0 3 287.407 2.101 20 30 CEEDHN C[C@@H](C1CC1)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000158051741 289226912 /nfs/dbraw/zinc/22/69/12/289226912.db2.gz BWILLXZFKRPYDM-NSHDSACASA-N 0 3 254.337 2.436 20 30 CEEDHN N#Cc1cccc(C#N)c1N1CC[C@@H](N2CCCC2)C1 ZINC000302444194 294956009 /nfs/dbraw/zinc/95/60/09/294956009.db2.gz NRNHTFQHQSZZHJ-OAHLLOKOSA-N 0 3 266.348 2.104 20 30 CEEDHN C[C@H](CNC(=O)c1ccc(Cl)c(C#N)c1)N1CCCC1 ZINC000542705926 298298461 /nfs/dbraw/zinc/29/84/61/298298461.db2.gz KOUDNZSQNDDUDL-LLVKDONJSA-N 0 3 291.782 2.426 20 30 CEEDHN CC(C)[C@H]1CCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566855815 299026710 /nfs/dbraw/zinc/02/67/10/299026710.db2.gz DGEDVBABPAQJSC-ZDUSSCGKSA-N 0 3 269.352 2.079 20 30 CEEDHN C[C@H]1CN(CCC(C)(C)C#N)CC2(CCOCC2)O1 ZINC000347216922 300253220 /nfs/dbraw/zinc/25/32/20/300253220.db2.gz UEQZTONUFRRVHN-ZDUSSCGKSA-N 0 3 266.385 2.196 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000575979625 314228745 /nfs/dbraw/zinc/22/87/45/314228745.db2.gz FBBQOHAPCVBPBM-CYBMUJFWSA-N 0 3 291.782 2.378 20 30 CEEDHN CCO[C@H]1C[C@@H]1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000577175776 314348856 /nfs/dbraw/zinc/34/88/56/314348856.db2.gz IDIRAEAQDUNOJG-HOTGVXAUSA-N 0 3 296.374 2.226 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1CCc2ccccc2[C@H]1CN ZINC000571162479 328089439 /nfs/dbraw/zinc/08/94/39/328089439.db2.gz AVXRWFRQBDYAFG-OAHLLOKOSA-N 0 3 287.407 2.466 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1CC[C@H](CO)C1 ZINC000269036348 328189034 /nfs/dbraw/zinc/18/90/34/328189034.db2.gz UZKKBVSNUUEEKB-ZDUSSCGKSA-N 0 3 258.365 2.302 20 30 CEEDHN C=CCN(CCC(=O)N(C)CCC#N)CCc1ccco1 ZINC000272340934 328199893 /nfs/dbraw/zinc/19/98/93/328199893.db2.gz YRHYTRVPMNUPFV-UHFFFAOYSA-N 0 3 289.379 2.072 20 30 CEEDHN CC(C)(C#N)CCCN1CCc2cc[nH]c(=O)c2C1 ZINC000276884672 328219703 /nfs/dbraw/zinc/21/97/03/328219703.db2.gz FGBZPHZLUQMCMZ-UHFFFAOYSA-N 0 3 259.353 2.475 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCC(F)(F)c1ccc(F)cc1 ZINC000571658124 328222953 /nfs/dbraw/zinc/22/29/53/328222953.db2.gz FLZRWVSBMFCOJJ-GFCCVEGCSA-N 0 3 299.296 2.055 20 30 CEEDHN C=CCC[C@H](CO)NCc1cnc(N(CC)CC)s1 ZINC000321011024 329200661 /nfs/dbraw/zinc/20/06/61/329200661.db2.gz MMBCLNYUOUPTBD-GFCCVEGCSA-N 0 3 283.441 2.406 20 30 CEEDHN CCC1(C)CN(C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000291765651 328266405 /nfs/dbraw/zinc/26/64/05/328266405.db2.gz DLXDUHUSLBISOR-HNNXBMFYSA-N 0 3 288.391 2.224 20 30 CEEDHN CN(CCCOc1ccc(F)cc1)CCOCCC#N ZINC000292947637 328274133 /nfs/dbraw/zinc/27/41/33/328274133.db2.gz BJCWTOHOMLSEBH-UHFFFAOYSA-N 0 3 280.343 2.457 20 30 CEEDHN CN(C)[C@H]1CCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000189580863 321776836 /nfs/dbraw/zinc/77/68/36/321776836.db2.gz DTSROXVISUVVLE-INIZCTEOSA-N 0 3 297.402 2.142 20 30 CEEDHN COc1cc(CN[C@H](C)[C@@H](OC)C2CC2)ccc1C#N ZINC000388336062 321884843 /nfs/dbraw/zinc/88/48/43/321884843.db2.gz HKMBMRWAMMUHQL-BDJLRTHQSA-N 0 3 274.364 2.470 20 30 CEEDHN CC1(C)C(=O)N[C@@H]1C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000580396655 322314858 /nfs/dbraw/zinc/31/48/58/322314858.db2.gz ZQZVQVISDTWJLA-MRXNPFEDSA-N 0 3 297.402 2.295 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C)Cc2ccsc2)CC1 ZINC000049377123 328356560 /nfs/dbraw/zinc/35/65/60/328356560.db2.gz JNAIMCIHNPRZGR-CYBMUJFWSA-N 0 3 290.432 2.141 20 30 CEEDHN CC#CCCCC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000185896702 329334695 /nfs/dbraw/zinc/33/46/95/329334695.db2.gz BIIGKXDACNQXNY-GJZGRUSLSA-N 0 3 262.397 2.123 20 30 CEEDHN CC1CC(C#N)(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)C1 ZINC000557643178 327018398 /nfs/dbraw/zinc/01/83/98/327018398.db2.gz HKEHBCDJFRIUQX-IOSBVQAASA-N 0 3 275.396 2.011 20 30 CEEDHN CC(C)[C@H](NC[C@@H](C#N)CCC#N)C1(CO)CCC1 ZINC000576754966 327039347 /nfs/dbraw/zinc/03/93/47/327039347.db2.gz ACDODMJXTVEMPE-KGLIPLIRSA-N 0 3 263.385 2.207 20 30 CEEDHN CC(C)(C#N)CCN1CCC(CN2CCCC2=O)CC1 ZINC000363478220 327207317 /nfs/dbraw/zinc/20/73/17/327207317.db2.gz ILEITVIZKMHFGG-UHFFFAOYSA-N 0 3 277.412 2.261 20 30 CEEDHN C[C@H](C(=O)N1CCCCC1)N1CCC(CCC#N)CC1 ZINC000399305814 328690697 /nfs/dbraw/zinc/69/06/97/328690697.db2.gz PEOWWUPSCCRJDV-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN CCc1nnc(NCC2=CCN(C)CC2)c(C#N)c1CC ZINC000392833811 329039626 /nfs/dbraw/zinc/03/96/26/329039626.db2.gz HQEMEHZMICCVML-UHFFFAOYSA-N 0 3 285.395 2.147 20 30 CEEDHN C=CCNC(=O)CN[C@@H](c1ccccc1)C1CCOCC1 ZINC000378467603 329052037 /nfs/dbraw/zinc/05/20/37/329052037.db2.gz UQELHZKRJZQHCH-KRWDZBQOSA-N 0 3 288.391 2.046 20 30 CEEDHN C=CCN1CCC(NC(=O)N(CC(C)C)C2CC2)CC1 ZINC000171737603 329079771 /nfs/dbraw/zinc/07/97/71/329079771.db2.gz SKQYGTXAWVRVLP-UHFFFAOYSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)CCCC)CC1 ZINC000171737322 329079794 /nfs/dbraw/zinc/07/97/94/329079794.db2.gz GEMDGXGNTICNNC-UHFFFAOYSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H](C)CC2CC2)CC1 ZINC000171870863 329080570 /nfs/dbraw/zinc/08/05/70/329080570.db2.gz JZQJWRFMIRBOBZ-GFCCVEGCSA-N 0 3 265.401 2.125 20 30 CEEDHN C=CCN1CCC(NC(=O)N(CC)CC2CC2)CC1 ZINC000171978163 329082654 /nfs/dbraw/zinc/08/26/54/329082654.db2.gz NZQRUMZCKDFHNE-UHFFFAOYSA-N 0 3 265.401 2.078 20 30 CEEDHN CCN(CC)CC(=O)N[C@H](C#N)c1ccccc1Cl ZINC000172023577 329083286 /nfs/dbraw/zinc/08/32/86/329083286.db2.gz YLKVDZWKVZKQBV-CYBMUJFWSA-N 0 3 279.771 2.363 20 30 CEEDHN N#CCc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1 ZINC000174715401 329161095 /nfs/dbraw/zinc/16/10/95/329161095.db2.gz CEPHJPNXWWSHIG-INIZCTEOSA-N 0 3 296.374 2.231 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)CCOC)CC1 ZINC000184721966 329262663 /nfs/dbraw/zinc/26/26/63/329262663.db2.gz XLCMKJLNRZLCST-UHFFFAOYSA-N 0 3 282.428 2.206 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NC1CCN(CCCOC)CC1 ZINC000185422836 329273533 /nfs/dbraw/zinc/27/35/33/329273533.db2.gz GHTORUCVRPAEKR-AWEZNQCLSA-N 0 3 282.428 2.206 20 30 CEEDHN CC(C)[C@@H]1C[C@@H](CNC[C@H](C#N)CCC#N)CCO1 ZINC000582954300 329293459 /nfs/dbraw/zinc/29/34/59/329293459.db2.gz LZIGZTVOGYGNJC-KKUMJFAQSA-N 0 3 263.385 2.471 20 30 CEEDHN Cc1ccc(Cl)c(OC[C@@H](O)CNCCCC#N)c1 ZINC000583020540 329298344 /nfs/dbraw/zinc/29/83/44/329298344.db2.gz IDHKJHFXJRWSDU-LBPRGKRZSA-N 0 3 282.771 2.282 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C)[C@@H]2CC)CC1 ZINC000188042077 329363698 /nfs/dbraw/zinc/36/36/98/329363698.db2.gz QAMCSSIYNSJVSE-HIFRSBDPSA-N 0 3 279.428 2.467 20 30 CEEDHN CCCCN(CCCCC(C)(C)C#N)CC(N)=O ZINC000232975989 329393584 /nfs/dbraw/zinc/39/35/84/329393584.db2.gz VEYXVDBOHVEFEN-UHFFFAOYSA-N 0 3 253.390 2.294 20 30 CEEDHN C=CCC1(C(=O)NC2CCN(C3CC3)CC2)CCC1 ZINC000191625751 329415847 /nfs/dbraw/zinc/41/58/47/329415847.db2.gz VZOVSHVMTZNWMG-UHFFFAOYSA-N 0 3 262.397 2.476 20 30 CEEDHN C=CCN(C(=O)NC[C@H]1NCCc2ccccc21)C1CC1 ZINC000418637379 329536891 /nfs/dbraw/zinc/53/68/91/329536891.db2.gz NMFPZPRZDILAFI-MRXNPFEDSA-N 0 3 285.391 2.233 20 30 CEEDHN C=C[C@H](C)NC(=O)NC[C@@H](N)c1ccccc1CC ZINC000418644550 329537992 /nfs/dbraw/zinc/53/79/92/329537992.db2.gz CGZGFDLIORYMHC-SMDDNHRTSA-N 0 3 261.369 2.123 20 30 CEEDHN CSC[C@@H](CCO)NC1CC(C#N)(c2ccccc2)C1 ZINC000127315690 329598579 /nfs/dbraw/zinc/59/85/79/329598579.db2.gz RSCFQUMITHKZBK-QQFBHYJXSA-N 0 3 290.432 2.314 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccc(OC)cc1F ZINC000320624779 329959508 /nfs/dbraw/zinc/95/95/08/329959508.db2.gz IZPXOXCMJILHFQ-LBPRGKRZSA-N 0 3 253.317 2.251 20 30 CEEDHN C=CCC[C@@H](CO)NCc1nc2ccccc2n1CC ZINC000320656414 329960464 /nfs/dbraw/zinc/96/04/64/329960464.db2.gz PVEOHSAVCYEPMI-ZDUSSCGKSA-N 0 3 273.380 2.473 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000422032927 330117792 /nfs/dbraw/zinc/11/77/92/330117792.db2.gz GSRJUSDEXNPIOZ-IRXDYDNUSA-N 0 3 299.418 2.312 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000580447676 330140206 /nfs/dbraw/zinc/14/02/06/330140206.db2.gz PBEKEOOUSCCZBS-QWHCGFSZSA-N 0 3 250.386 2.284 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1cccs1)C1CC1 ZINC000424059797 330218610 /nfs/dbraw/zinc/21/86/10/330218610.db2.gz BVAUEVVJGNZBJT-YPMHNXCESA-N 0 3 277.393 2.337 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000424063942 330219014 /nfs/dbraw/zinc/21/90/14/330219014.db2.gz NFJDLZGCAJLPAU-GFCCVEGCSA-N 0 3 299.296 2.343 20 30 CEEDHN CC(C)(C)CC(C)(C)NC(=O)[C@@H](N)CCCC#N ZINC000424075782 330220771 /nfs/dbraw/zinc/22/07/71/330220771.db2.gz KMCZGJDVQWLFKF-NSHDSACASA-N 0 3 253.390 2.339 20 30 CEEDHN CCCn1c2ccccc2nc1NC(=O)[C@H](N)CCCC#N ZINC000424085194 330222960 /nfs/dbraw/zinc/22/29/60/330222960.db2.gz ZEXFEFACXYDQFD-GFCCVEGCSA-N 0 3 299.378 2.406 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2scnc2c1 ZINC000424086239 330223533 /nfs/dbraw/zinc/22/35/33/330223533.db2.gz BQVSZKLEQIYKCG-JTQLQIEISA-N 0 3 274.349 2.256 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCCCC1CCCC1 ZINC000424092771 330226018 /nfs/dbraw/zinc/22/60/18/330226018.db2.gz QKYBANJVDQLVJA-ZDUSSCGKSA-N 0 3 251.374 2.094 20 30 CEEDHN CCCCN(CC(F)(F)F)C(=O)[C@@H](N)CCCC#N ZINC000424100148 330233166 /nfs/dbraw/zinc/23/31/66/330233166.db2.gz WFZJWCCGYFPYKY-JTQLQIEISA-N 0 3 279.306 2.199 20 30 CEEDHN Cc1[nH]c2ccc(CNC(=O)[C@H](N)CCCC#N)cc2c1C ZINC000424104048 330233789 /nfs/dbraw/zinc/23/37/89/330233789.db2.gz FUYLFTMCIKCLDL-OAHLLOKOSA-N 0 3 298.390 2.422 20 30 CEEDHN C[C@H]1Cc2ccccc2N(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424111252 330239623 /nfs/dbraw/zinc/23/96/23/330239623.db2.gz ACBBJPLUDAUBSP-JSGCOSHPSA-N 0 3 271.364 2.233 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCCCc1ccc(Cl)cc1 ZINC000424111925 330240372 /nfs/dbraw/zinc/24/03/72/330240372.db2.gz HPLLESCEIHEQSV-CQSZACIVSA-N 0 3 293.798 2.410 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCCOc2ccccc21 ZINC000424112873 330241233 /nfs/dbraw/zinc/24/12/33/330241233.db2.gz LSCMQXCFNVYXAE-KGLIPLIRSA-N 0 3 287.363 2.038 20 30 CEEDHN CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)CCCC#N)C1 ZINC000424119674 330247399 /nfs/dbraw/zinc/24/73/99/330247399.db2.gz CYJLCBYSSDYLPT-MCIONIFRSA-N 0 3 265.401 2.339 20 30 CEEDHN CC[C@H]1CCCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424123534 330255896 /nfs/dbraw/zinc/25/58/96/330255896.db2.gz LBKWZKIFNYLXHM-STQMWFEESA-N 0 3 251.374 2.046 20 30 CEEDHN CC(C)C[C@@H]1CCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424125185 330258433 /nfs/dbraw/zinc/25/84/33/330258433.db2.gz NMPPOXKTJQNZHR-KBPBESRZSA-N 0 3 265.401 2.292 20 30 CEEDHN Cc1ccc(C[C@H](C)N(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424126979 330259267 /nfs/dbraw/zinc/25/92/67/330259267.db2.gz PLKKOQNWAHXGHV-HOCLYGCPSA-N 0 3 287.407 2.406 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000424134355 330266718 /nfs/dbraw/zinc/26/67/18/330266718.db2.gz HWYWMHZHFVGMCH-DLBZAZTESA-N 0 3 299.418 2.489 20 30 CEEDHN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000424144471 330289869 /nfs/dbraw/zinc/28/98/69/330289869.db2.gz SKROKWVRGXLCTM-DFBGVHRSSA-N 0 3 271.364 2.057 20 30 CEEDHN CCS[C@H]1CCCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424146755 330293302 /nfs/dbraw/zinc/29/33/02/330293302.db2.gz XEJHEPCAULFWQS-STQMWFEESA-N 0 3 283.441 2.142 20 30 CEEDHN CCCCO[C@@H]1C[C@@H](NC(=O)[C@H](N)CCCC#N)C1(C)C ZINC000424148362 330295085 /nfs/dbraw/zinc/29/50/85/330295085.db2.gz FGFXQSSLWLJDTR-MGPQQGTHSA-N 0 3 295.427 2.108 20 30 CEEDHN CCO[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCCC#N)C1(CC)CC ZINC000424159701 330306175 /nfs/dbraw/zinc/30/61/75/330306175.db2.gz VMLLPJOGQNEALH-BFHYXJOUSA-N 0 3 295.427 2.108 20 30 CEEDHN C=CCn1cc(CNC[C@H](C)CC2CCOCC2)nn1 ZINC000424169277 330310633 /nfs/dbraw/zinc/31/06/33/330310633.db2.gz HUIXCSYKZFJETP-CYBMUJFWSA-N 0 3 278.400 2.007 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1cccc2c1OCCO2 ZINC000424173782 330313717 /nfs/dbraw/zinc/31/37/17/330313717.db2.gz NODCVNHZFSVOFC-JSGCOSHPSA-N 0 3 275.348 2.139 20 30 CEEDHN CCNc1cc(C)ccc1NC(=O)[C@H](N)CCCC#N ZINC000424174183 330314304 /nfs/dbraw/zinc/31/43/04/330314304.db2.gz LWAFDPPTUIZXTH-GFCCVEGCSA-N 0 3 274.368 2.387 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1cccc2c1OCO2 ZINC000424178540 330318246 /nfs/dbraw/zinc/31/82/46/330318246.db2.gz WLGGFISIIGVYON-AAEUAGOBSA-N 0 3 261.321 2.096 20 30 CEEDHN Cc1cc(CN(C)C(=O)[C@@H](N)CCCC#N)ccc1F ZINC000424191369 330323715 /nfs/dbraw/zinc/32/37/15/330323715.db2.gz QTZNQGARQWRBMI-AWEZNQCLSA-N 0 3 277.343 2.114 20 30 CEEDHN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)[C@@H](N)CCCC#N ZINC000424191509 330323770 /nfs/dbraw/zinc/32/37/70/330323770.db2.gz RIEDXBMMVCKACA-UWVGGRQHSA-N 0 3 291.317 2.197 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H](N)c1ccccc1 ZINC000424217530 330329118 /nfs/dbraw/zinc/32/91/18/330329118.db2.gz MBFDQJZZOUWMNF-VIRABCJISA-N 0 3 271.364 2.131 20 30 CEEDHN CC(C)N(CC(=O)N[C@](C)(C#N)C(C)C)CC1CC1 ZINC000533358364 330359429 /nfs/dbraw/zinc/35/94/29/330359429.db2.gz CTOUJWOSAUFKEP-OAHLLOKOSA-N 0 3 265.401 2.161 20 30 CEEDHN C[C@H](CC(=O)N1CCCCCC1)NCC1(CC#N)CC1 ZINC000430738226 330572012 /nfs/dbraw/zinc/57/20/12/330572012.db2.gz FGNCVYLFIHSDDO-CQSZACIVSA-N 0 3 277.412 2.451 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1C[C@H](OC)C1(C)C ZINC000439623352 330741358 /nfs/dbraw/zinc/74/13/58/330741358.db2.gz GTOOQJZDRFSWJB-MJBXVCDLSA-N 0 3 282.428 2.203 20 30 CEEDHN COc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1NC(C)=O ZINC000442788174 330783602 /nfs/dbraw/zinc/78/36/02/330783602.db2.gz XYOOGWATWZCXLQ-TZMCWYRMSA-N 0 3 287.363 2.435 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc2cc(C)ccn12 ZINC000449546993 330935430 /nfs/dbraw/zinc/93/54/30/330935430.db2.gz GGLNORZMNZAPPT-CABCVRRESA-N 0 3 271.364 2.466 20 30 CEEDHN C=CCC[C@H](CO)NCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000449694913 330944006 /nfs/dbraw/zinc/94/40/06/330944006.db2.gz CVFXZBZRVKBXSP-IUODEOHRSA-N 0 3 291.391 2.435 20 30 CEEDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCC1(C#N)CCC1 ZINC000451236431 331021388 /nfs/dbraw/zinc/02/13/88/331021388.db2.gz OAIJOIILUSXYSZ-OLZOCXBDSA-N 0 3 264.369 2.392 20 30 CEEDHN CCN(C)C(=O)[C@@H](NCc1ccc(CC#N)cc1)C(C)C ZINC000451309796 331024037 /nfs/dbraw/zinc/02/40/37/331024037.db2.gz GBASPXJTHAQLFS-INIZCTEOSA-N 0 3 287.407 2.345 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000451500364 331031757 /nfs/dbraw/zinc/03/17/57/331031757.db2.gz OWQXFOOQMXVICS-GJZGRUSLSA-N 0 3 294.439 2.369 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccccc1C ZINC000451597175 331035586 /nfs/dbraw/zinc/03/55/86/331035586.db2.gz HQEIEWYIZDJWQO-YUELXQCFSA-N 0 3 274.364 2.255 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cncn1Cc1ccccc1 ZINC000451606063 331036250 /nfs/dbraw/zinc/03/62/50/331036250.db2.gz GMCAPKRCPYBOFM-SJORKVTESA-N 0 3 283.375 2.365 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C1CC1)C1CCCC1 ZINC000451670030 331038271 /nfs/dbraw/zinc/03/82/71/331038271.db2.gz BVOBTVAZAKLGKV-CVEARBPZSA-N 0 3 292.423 2.243 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](CC(C)(C)C)C1 ZINC000452081171 331053283 /nfs/dbraw/zinc/05/32/83/331053283.db2.gz PWOXVYHBPNWXRW-CHWSQXEVSA-N 0 3 295.427 2.145 20 30 CEEDHN Cc1cccc([C@H](C)NCC(=O)NC2(C#N)CCC2)c1 ZINC000452098659 331054120 /nfs/dbraw/zinc/05/41/20/331054120.db2.gz ZRXIPEZGBVPLNU-ZDUSSCGKSA-N 0 3 271.364 2.208 20 30 CEEDHN CC1(C)OCC[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000452924457 331080731 /nfs/dbraw/zinc/08/07/31/331080731.db2.gz IJJXTGMLNUAPDS-GJZGRUSLSA-N 0 3 286.375 2.443 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)Nc1ccc(CC#N)cc1 ZINC000454340853 331144449 /nfs/dbraw/zinc/14/44/49/331144449.db2.gz GZKNIFYDDMGIAK-UHFFFAOYSA-N 0 3 274.368 2.214 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC(C)(C)C=C)CC1 ZINC000454536839 331148320 /nfs/dbraw/zinc/14/83/20/331148320.db2.gz GJYOFUUXQJSOBL-UHFFFAOYSA-N 0 3 265.401 2.148 20 30 CEEDHN C=C[C@@H](C)NC(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000454691232 331151539 /nfs/dbraw/zinc/15/15/39/331151539.db2.gz ZVKOGGIHNCHYPU-KGLIPLIRSA-N 0 3 267.417 2.371 20 30 CEEDHN C=C(CC)CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000454872213 331155373 /nfs/dbraw/zinc/15/53/73/331155373.db2.gz ZHOBFCPHEASDSW-AWEZNQCLSA-N 0 3 265.401 2.269 20 30 CEEDHN C=C(CC)CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000454872215 331155415 /nfs/dbraw/zinc/15/54/15/331155415.db2.gz ZHOBFCPHEASDSW-CQSZACIVSA-N 0 3 265.401 2.269 20 30 CEEDHN C=CCC[C@@H](CO)NC(=O)C(C#N)CCc1ccccc1 ZINC000456757643 331200444 /nfs/dbraw/zinc/20/04/44/331200444.db2.gz BFYFHRBXJQRUPY-HOTGVXAUSA-N 0 3 286.375 2.202 20 30 CEEDHN CC#CCCCC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457102121 331212393 /nfs/dbraw/zinc/21/23/93/331212393.db2.gz ZJNPCHVWJZXVTR-CQSZACIVSA-N 0 3 250.386 2.121 20 30 CEEDHN C=CCSCCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458096533 331242693 /nfs/dbraw/zinc/24/26/93/331242693.db2.gz RKQDQFPNEMSKCI-CYBMUJFWSA-N 0 3 297.468 2.031 20 30 CEEDHN CN(C)CCN(Cc1ccsc1)C(=O)CCCC#N ZINC000458222601 331245458 /nfs/dbraw/zinc/24/54/58/331245458.db2.gz LJRHSCYAXSDJPS-UHFFFAOYSA-N 0 3 279.409 2.332 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N(C)CCN1CCCC1 ZINC000458812072 331260850 /nfs/dbraw/zinc/26/08/50/331260850.db2.gz QIGURUARYXKANH-UHFFFAOYSA-N 0 3 267.417 2.326 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)CC#N)CCN1C ZINC000459254901 331273317 /nfs/dbraw/zinc/27/33/17/331273317.db2.gz GLBZTDLPTTYZIC-STQMWFEESA-N 0 3 280.416 2.050 20 30 CEEDHN CCN1C[C@H](C)N(CCCSCC#N)[C@@H](C)C1 ZINC000459451071 331281822 /nfs/dbraw/zinc/28/18/22/331281822.db2.gz ABMQFYLSZBDBNQ-STQMWFEESA-N 0 3 255.431 2.048 20 30 CEEDHN CC#CCCNCc1ccccc1N1CCO[C@@H](C)C1 ZINC000459471000 331283285 /nfs/dbraw/zinc/28/32/85/331283285.db2.gz FFKJEAXJMKSJKD-HNNXBMFYSA-N 0 3 272.392 2.415 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1C[C@H](OC)C12CCC2 ZINC000459748071 331298055 /nfs/dbraw/zinc/29/80/55/331298055.db2.gz GGYJXUVIMQTGGI-ZNMIVQPWSA-N 0 3 294.439 2.347 20 30 CEEDHN C=CCOc1ccc(CN2C[C@@H](OC)[C@@H](OC)C2)cc1 ZINC000488530373 332015716 /nfs/dbraw/zinc/01/57/16/332015716.db2.gz WRULHVBMSWMFGO-IYBDPMFKSA-N 0 3 277.364 2.097 20 30 CEEDHN C=CCCCS(=O)(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000489134496 332042102 /nfs/dbraw/zinc/04/21/02/332042102.db2.gz UYJUZAFOYYAFIE-ZIAGYGMSSA-N 0 3 288.457 2.135 20 30 CEEDHN C#CCN(C(=O)NC[C@@H](C)N(C)C1CC1)C1CCCCC1 ZINC000490616110 332095738 /nfs/dbraw/zinc/09/57/38/332095738.db2.gz IIPKZXHMZBCWGV-CQSZACIVSA-N 0 3 291.439 2.447 20 30 CEEDHN C#C[C@H](CC)NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000490713671 332107395 /nfs/dbraw/zinc/10/73/95/332107395.db2.gz LLDJFPKSRJCCIR-DLBZAZTESA-N 0 3 299.418 2.220 20 30 CEEDHN C#CCNC(=O)CCN[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000491119297 332151867 /nfs/dbraw/zinc/15/18/67/332151867.db2.gz HZYZYPDGRIKHSK-MLGOLLRUSA-N 0 3 290.794 2.304 20 30 CEEDHN C#C[C@H](NC(=O)/C=C/CN(C)C)c1ccc(Cl)cc1F ZINC000491221522 332169007 /nfs/dbraw/zinc/16/90/07/332169007.db2.gz XKROSIORUPQSPZ-GJBLVYBDSA-N 0 3 294.757 2.387 20 30 CEEDHN C#C[C@@H](NC(=O)[C@@H](CC)N(CC)CC)C(C)(C)C ZINC000491241726 332172770 /nfs/dbraw/zinc/17/27/70/332172770.db2.gz LJFQZNRPNJATKT-CHWSQXEVSA-N 0 3 252.402 2.271 20 30 CEEDHN C#CCNC(=O)CCN[C@H](CC(F)F)c1ccccc1 ZINC000491305980 332186466 /nfs/dbraw/zinc/18/64/66/332186466.db2.gz LEYVTISDBDNDIS-CYBMUJFWSA-N 0 3 280.318 2.112 20 30 CEEDHN C#C[C@@H](CC)N[C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000491404160 332205330 /nfs/dbraw/zinc/20/53/30/332205330.db2.gz AJZNYMVVZJYDTM-OLZOCXBDSA-N 0 3 274.364 2.414 20 30 CEEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000491418516 332208167 /nfs/dbraw/zinc/20/81/67/332208167.db2.gz REKNNNKJJUOFNR-SNVBAGLBSA-N 0 3 293.298 2.016 20 30 CEEDHN C#C[C@H](NCc1ccc(S(C)(=O)=O)cc1)C(C)(C)C ZINC000491426816 332209347 /nfs/dbraw/zinc/20/93/47/332209347.db2.gz HTPCBFARRKNBFV-AWEZNQCLSA-N 0 3 279.405 2.228 20 30 CEEDHN C#C[C@H](C)N(C)Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000491474769 332218401 /nfs/dbraw/zinc/21/84/01/332218401.db2.gz PVNMRYLJMVCKMF-GJZGRUSLSA-N 0 3 272.392 2.365 20 30 CEEDHN C#CC(C)(C)N(C)CCc1nc2ccccc2c(=O)[nH]1 ZINC000491615253 332242870 /nfs/dbraw/zinc/24/28/70/332242870.db2.gz CEAGELBLBDRBCU-UHFFFAOYSA-N 0 3 269.348 2.222 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H]1C1CCCC1 ZINC000491676291 332281930 /nfs/dbraw/zinc/28/19/30/332281930.db2.gz YYAWPIBWLAJYIM-INIZCTEOSA-N 0 3 291.439 2.306 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc3c(c2)CCC3=O)CC1 ZINC000491698599 332293653 /nfs/dbraw/zinc/29/36/53/332293653.db2.gz HZUAADOXFAUAHN-UHFFFAOYSA-N 0 3 296.370 2.099 20 30 CEEDHN C#C[C@H](NC(=O)CCN(C)c1ccncc1)C(C)(C)C ZINC000491701161 332295463 /nfs/dbraw/zinc/29/54/63/332295463.db2.gz FRBJGFFPGVENPI-AWEZNQCLSA-N 0 3 273.380 2.072 20 30 CEEDHN C#C[C@@H](NC(=O)CN(C)C(C)C)c1ccc(Cl)cc1 ZINC000491709121 332301503 /nfs/dbraw/zinc/30/15/03/332301503.db2.gz PWSYXPYRBYPXBY-CQSZACIVSA-N 0 3 278.783 2.471 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC000491733024 332314001 /nfs/dbraw/zinc/31/40/01/332314001.db2.gz MKHYCNJVJZKTEX-HNNXBMFYSA-N 0 3 262.397 2.194 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000491743918 332322108 /nfs/dbraw/zinc/32/21/08/332322108.db2.gz IEPLXAPHXAXVIH-YQQAZPJKSA-N 0 3 299.418 2.313 20 30 CEEDHN C#CCN(C[C@H]1CCCNC1=O)[C@H]1CCc2ccccc21 ZINC000491745053 332323048 /nfs/dbraw/zinc/32/30/48/332323048.db2.gz TUNZRFJGFYCTBI-WBVHZDCISA-N 0 3 282.387 2.135 20 30 CEEDHN C#C[C@H](C)N(C)C[C@H](O)COc1ccccc1CC=C ZINC000491748357 332325527 /nfs/dbraw/zinc/32/55/27/332325527.db2.gz DUOYJTPVVIHNGU-HOCLYGCPSA-N 0 3 273.376 2.108 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000491785351 332348090 /nfs/dbraw/zinc/34/80/90/332348090.db2.gz UPZCVOBJHOHZLC-NEPJUHHUSA-N 0 3 290.329 2.036 20 30 CEEDHN C#CCN(CCC(=O)Nc1cc(F)cc(F)c1)C1CC1 ZINC000491804227 332358169 /nfs/dbraw/zinc/35/81/69/332358169.db2.gz KWOMHMZXGVAXBC-UHFFFAOYSA-N 0 3 278.302 2.391 20 30 CEEDHN C#C[C@H](C)N(C)CCOCC(F)(F)C(F)(F)F ZINC000491805856 332359406 /nfs/dbraw/zinc/35/94/06/332359406.db2.gz PIJGUPXDEXIHDN-QMMMGPOBSA-N 0 3 259.218 2.154 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000575757401 335112618 /nfs/dbraw/zinc/11/26/18/335112618.db2.gz ZCELIXYXEGEGBG-AWEZNQCLSA-N 0 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250.298 2.277 20 30 CEEDHN CC#CCNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000134978880 334110325 /nfs/dbraw/zinc/11/03/25/334110325.db2.gz JDEMAVPPGGFKKA-UHFFFAOYSA-N 0 3 299.418 2.495 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)C#N ZINC000248890044 334320929 /nfs/dbraw/zinc/32/09/29/334320929.db2.gz SOQGJQBVADKWSH-DZGCQCFKSA-N 0 3 285.391 2.173 20 30 CEEDHN COCCn1cc(CN2CCC(CCC#N)CC2)cn1 ZINC000566248165 334638542 /nfs/dbraw/zinc/63/85/42/334638542.db2.gz QYVHKASICUZFAC-UHFFFAOYSA-N 0 3 276.384 2.045 20 30 CEEDHN C=CCSCCNCc1cnn(CC(F)F)c1 ZINC000292893132 334887856 /nfs/dbraw/zinc/88/78/56/334887856.db2.gz DUQVHUJBKPSOGU-UHFFFAOYSA-N 0 3 261.341 2.157 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000573167245 334914098 /nfs/dbraw/zinc/91/40/98/334914098.db2.gz QKMJIAJCJNZLKO-BZUAXINKSA-N 0 3 283.375 2.069 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H](c1ccccc1)C1CC1 ZINC000192510939 335270690 /nfs/dbraw/zinc/27/06/90/335270690.db2.gz SWCIPKDUMAQGLA-SWLSCSKDSA-N 0 3 258.365 2.418 20 30 CEEDHN C=CCC1(C(=O)NC[C@H]2CCCN(C)C2)CCC1 ZINC000577255452 335330386 /nfs/dbraw/zinc/33/03/86/335330386.db2.gz QIBAJHNVTVUWNC-CYBMUJFWSA-N 0 3 250.386 2.191 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000346258466 335361607 /nfs/dbraw/zinc/36/16/07/335361607.db2.gz IMEQUYLBMCGNLO-ZFWWWQNUSA-N 0 3 272.348 2.211 20 30 CEEDHN N#CCc1ccnc(NC(=O)C2CN(C3CCCCC3)C2)c1 ZINC000578493609 335640542 /nfs/dbraw/zinc/64/05/42/335640542.db2.gz LYVBJFJHUAWHAD-UHFFFAOYSA-N 0 3 298.390 2.351 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)CC)CC1 ZINC000420782368 500572290 /nfs/dbraw/zinc/57/22/90/500572290.db2.gz CWTKDSPOOWMPTF-ZDUSSCGKSA-N 0 3 267.417 2.372 20 30 CEEDHN COc1ccccc1C1(CNC(=O)C(C)C#N)CC1 ZINC000347132702 533998643 /nfs/dbraw/zinc/99/86/43/533998643.db2.gz JSBQGVYUDGROSA-LLVKDONJSA-N 0 3 258.321 2.003 20 30 CEEDHN C[C@@H]1CC[C@@]2(CCN(CC(=O)NC3(C#N)CCC3)C2)C1 ZINC000335959297 534204800 /nfs/dbraw/zinc/20/48/00/534204800.db2.gz VFGROVMSEPGOQB-UKRRQHHQSA-N 0 3 275.396 2.061 20 30 CEEDHN C#CCOc1ccc([C@H](C)N[C@H](C)C[S@@](C)=O)cc1 ZINC000184293773 518329613 /nfs/dbraw/zinc/32/96/13/518329613.db2.gz PHLHGLHJVLADAL-QHRIQVFBSA-N 0 3 279.405 2.116 20 30 CEEDHN C=CCC[C@@H](O)CN[C@H](C[S@@](C)=O)c1ccccc1 ZINC000183194261 518720434 /nfs/dbraw/zinc/72/04/34/518720434.db2.gz IHRMTTXCWMVWEX-SPYBWZPUSA-N 0 3 281.421 2.023 20 30 CEEDHN CC[C@@H](C)N1CCN(c2cc(C#N)cc(C)n2)CC1 ZINC000161042904 522133628 /nfs/dbraw/zinc/13/36/28/522133628.db2.gz WYLXINJUKZWDCG-CYBMUJFWSA-N 0 3 258.369 2.182 20 30 CEEDHN CC#CCCNCc1ccc2c(c1)sc(=O)n2C ZINC000354635160 526338266 /nfs/dbraw/zinc/33/82/66/526338266.db2.gz QTFCJXOIMTYYET-UHFFFAOYSA-N 0 3 260.362 2.103 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)C(C)C#N ZINC000347031494 526345467 /nfs/dbraw/zinc/34/54/67/526345467.db2.gz DZZCQWOCSGCIQD-GFCCVEGCSA-N 0 3 253.305 2.233 20 30 CEEDHN C=C(C)CNCc1ccccc1N1CCN(CC)CC1 ZINC000352859191 526624852 /nfs/dbraw/zinc/62/48/52/526624852.db2.gz RPPGZHKKYVVYKD-UHFFFAOYSA-N 0 3 273.424 2.494 20 30 CEEDHN C=CCOCC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000354659453 526706447 /nfs/dbraw/zinc/70/64/47/526706447.db2.gz RRQLAHKLIZTLNS-AWEZNQCLSA-N 0 3 296.436 2.450 20 30 CEEDHN C=CCOCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000354768196 526716395 /nfs/dbraw/zinc/71/63/95/526716395.db2.gz JPBKPQRUEVOHBI-MRXNPFEDSA-N 0 3 288.391 2.142 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000344335842 527157154 /nfs/dbraw/zinc/15/71/54/527157154.db2.gz SDRRGVOMHFEUKT-RWMBFGLXSA-N 0 3 265.401 2.266 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344618692 527380407 /nfs/dbraw/zinc/38/04/07/527380407.db2.gz PPCVHVITKFIHML-UONOGXRCSA-N 0 3 282.428 2.204 20 30 CEEDHN CCN(C)CCNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000356112660 527795833 /nfs/dbraw/zinc/79/58/33/527795833.db2.gz PCYPKHXHXGWSEO-HNNXBMFYSA-N 0 3 273.380 2.142 20 30 CEEDHN CCO[C@H](CCNC(=O)C(C)C#N)C1CCCC1 ZINC000352285935 528047534 /nfs/dbraw/zinc/04/75/34/528047534.db2.gz ODRASZQGDQESCA-WCQYABFASA-N 0 3 252.358 2.248 20 30 CEEDHN CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000125877593 528356331 /nfs/dbraw/zinc/35/63/31/528356331.db2.gz PQHJUIYNUJLHIS-SWLSCSKDSA-N 0 3 271.364 2.220 20 30 CEEDHN CCN(CCC1CC1)CC(=O)NC1(C#N)CCCCC1 ZINC000355030369 528422633 /nfs/dbraw/zinc/42/26/33/528422633.db2.gz COCVOCBLQQDIMV-UHFFFAOYSA-N 0 3 277.412 2.451 20 30 CEEDHN CCOc1ccc(CNC(=O)C(C)C#N)cc1F ZINC000347132720 528452297 /nfs/dbraw/zinc/45/22/97/528452297.db2.gz JTLXPETWLZWJRI-SECBINFHSA-N 0 3 250.273 2.000 20 30 CEEDHN CCN(CCOc1ccccc1C#N)C[C@H]1CCCO1 ZINC000048954070 528573804 /nfs/dbraw/zinc/57/38/04/528573804.db2.gz XAYOTBRJSCTJFY-OAHLLOKOSA-N 0 3 274.364 2.438 20 30 CEEDHN CCOc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354468793 528632347 /nfs/dbraw/zinc/63/23/47/528632347.db2.gz PPTUIHANKWAZMV-CYBMUJFWSA-N 0 3 267.288 2.365 20 30 CEEDHN CC(C)[C@H](CNC(=O)[C@H](C)C#N)N1CCc2ccccc2C1 ZINC000347034328 529009613 /nfs/dbraw/zinc/00/96/13/529009613.db2.gz IRQVGNIYUSAGOU-PBHICJAKSA-N 0 3 299.418 2.345 20 30 CEEDHN CCS[C@@H]1CCCC[C@@H]1NCC(=O)NC1(C#N)CCC1 ZINC000347207955 529209512 /nfs/dbraw/zinc/20/95/12/529209512.db2.gz SRGRSLLUQARZBX-QWHCGFSZSA-N 0 3 295.452 2.203 20 30 CEEDHN CC[C@H]1CN(c2ccccc2)CCN1C(=O)C(C)C#N ZINC000336574156 529301487 /nfs/dbraw/zinc/30/14/87/529301487.db2.gz PEVVOGYOJIEKJR-KGLIPLIRSA-N 0 3 271.364 2.273 20 30 CEEDHN COC[C@H]1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000739866961 574429436 /nfs/dbraw/zinc/42/94/36/574429436.db2.gz IPNNTXXAJHVRGF-HNNXBMFYSA-N 0 3 296.374 2.348 20 30 CEEDHN CN1CCC(NC(=S)Nc2ccc(F)c(C#N)c2)CC1 ZINC000728176172 574462036 /nfs/dbraw/zinc/46/20/36/574462036.db2.gz KBPUEMBILJBZFA-UHFFFAOYSA-N 0 3 292.383 2.078 20 30 CEEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)Cn2ccnc2)cc1 ZINC000728711885 574468750 /nfs/dbraw/zinc/46/87/50/574468750.db2.gz PYROOZHJXIWWHE-UONOGXRCSA-N 0 3 284.363 2.352 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)nc1 ZINC000728813144 574470856 /nfs/dbraw/zinc/47/08/56/574470856.db2.gz IOOWBACOVBFLGA-UONOGXRCSA-N 0 3 285.391 2.056 20 30 CEEDHN C#Cc1ccc(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)nc1 ZINC000728861107 574472650 /nfs/dbraw/zinc/47/26/50/574472650.db2.gz KPWMZWBWJDFQLZ-AWEZNQCLSA-N 0 3 299.418 2.303 20 30 CEEDHN CCO[C@@H](C)C(=O)C(C#N)c1nc2ccccc2n1C ZINC000729067923 574477710 /nfs/dbraw/zinc/47/77/10/574477710.db2.gz TVXVWFLGPGPOKC-QWRGUYRKSA-N 0 3 271.320 2.175 20 30 CEEDHN CC(C)(C)SCCNCc1cnc2c(C#N)cnn2c1 ZINC000729680544 574490532 /nfs/dbraw/zinc/49/05/32/574490532.db2.gz WNUNYEUEZZAIOB-UHFFFAOYSA-N 0 3 289.408 2.222 20 30 CEEDHN C=C(C)CN1CCC(NC(=S)NCC(F)(F)F)CC1 ZINC000729942920 574496804 /nfs/dbraw/zinc/49/68/04/574496804.db2.gz UZOPFJUUNZPELT-UHFFFAOYSA-N 0 3 295.374 2.053 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC2(Cl)Cl)CC1 ZINC000729975577 574497476 /nfs/dbraw/zinc/49/74/76/574497476.db2.gz PBMSERBMOCNDPU-NSHDSACASA-N 0 3 291.222 2.337 20 30 CEEDHN COC(=O)C[C@H](NCc1ccc(C#N)cc1F)C1CC1 ZINC000754516265 574585591 /nfs/dbraw/zinc/58/55/91/574585591.db2.gz JUIRSYXHDXCOIZ-AWEZNQCLSA-N 0 3 276.311 2.129 20 30 CEEDHN C=CCN(C(C)C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732197042 574615265 /nfs/dbraw/zinc/61/52/65/574615265.db2.gz BGEPFVSSEKSZKX-JTQLQIEISA-N 0 3 264.291 2.046 20 30 CEEDHN CC(C)OC(=O)N1CCC(NC[C@@H](C#N)CCC#N)CC1 ZINC000732987166 574638101 /nfs/dbraw/zinc/63/81/01/574638101.db2.gz VXSYJYGEKMZRTF-CYBMUJFWSA-N 0 3 292.383 2.029 20 30 CEEDHN CCN(CC)c1ccc(CNC(=O)C(C)C#N)cc1 ZINC000736671700 574794360 /nfs/dbraw/zinc/79/43/60/574794360.db2.gz CBIHDQDMXCPYHU-LBPRGKRZSA-N 0 3 259.353 2.309 20 30 CEEDHN C[C@H]1CCCN1CCNC(=O)Nc1ccc(C#N)cc1 ZINC000743813873 575109965 /nfs/dbraw/zinc/10/99/65/575109965.db2.gz XXAOJNVRFCZTMP-LBPRGKRZSA-N 0 3 272.352 2.164 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)C#Cc1ccccc1 ZINC000747397305 575170044 /nfs/dbraw/zinc/17/00/44/575170044.db2.gz KEKDNBHMKCBZJW-MRXNPFEDSA-N 0 3 270.376 2.029 20 30 CEEDHN C#CCCN1CCC(NC(=O)C=C2CCCC2)CC1 ZINC000747404542 575170110 /nfs/dbraw/zinc/17/01/10/575170110.db2.gz MPQMAFJQLDVKGS-UHFFFAOYSA-N 0 3 260.381 2.091 20 30 CEEDHN C#CCCN1CCC(NC(=O)[C@@H]2CC23CCCC3)CC1 ZINC000747402316 575170242 /nfs/dbraw/zinc/17/02/42/575170242.db2.gz KHNKAMOALKUHRV-HNNXBMFYSA-N 0 3 274.408 2.171 20 30 CEEDHN CC1=C(C(=O)C(C#N)C(=O)Nc2ccccn2)CCC1 ZINC000747213775 575168594 /nfs/dbraw/zinc/16/85/94/575168594.db2.gz VZIYWUNDYKTULE-GFCCVEGCSA-N 0 3 269.304 2.229 20 30 CEEDHN CNC(=S)NN=C1CCCC[C@@H]1N1C[C@H](C)C[C@@H](C)C1 ZINC000751516284 575290927 /nfs/dbraw/zinc/29/09/27/575290927.db2.gz HHSPGCBFRBTGND-BZPMIXESSA-N 0 3 296.484 2.357 20 30 CEEDHN C#CCCN1CCC(NC(=O)C(C2CC2)C2CC2)CC1 ZINC000753605590 575331706 /nfs/dbraw/zinc/33/17/06/575331706.db2.gz JXVMXQOUJADZSJ-UHFFFAOYSA-N 0 3 274.408 2.027 20 30 CEEDHN C=C(C)C[N@@H+](CC)Cc1ccccc1-c1nnn[n-]1 ZINC000095176989 598376620 /nfs/dbraw/zinc/37/66/20/598376620.db2.gz AHMVXIIOLZKURD-UHFFFAOYSA-N 0 3 257.341 2.265 20 30 CEEDHN C=C(C)C[N@H+](CC)Cc1ccccc1-c1nnn[n-]1 ZINC000095176989 598376622 /nfs/dbraw/zinc/37/66/22/598376622.db2.gz AHMVXIIOLZKURD-UHFFFAOYSA-N 0 3 257.341 2.265 20 30 CEEDHN C=C(C)C[N@@H+](CC)Cc1ccccc1-c1nn[n-]n1 ZINC000095176989 598376624 /nfs/dbraw/zinc/37/66/24/598376624.db2.gz AHMVXIIOLZKURD-UHFFFAOYSA-N 0 3 257.341 2.265 20 30 CEEDHN C=C(C)C[N@H+](CC)Cc1ccccc1-c1nn[n-]n1 ZINC000095176989 598376626 /nfs/dbraw/zinc/37/66/26/598376626.db2.gz AHMVXIIOLZKURD-UHFFFAOYSA-N 0 3 257.341 2.265 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCC[C@@H]1C=CCC1 ZINC000877307863 629143474 /nfs/dbraw/zinc/14/34/74/629143474.db2.gz MJSTUGUVJWGRJK-VXGBXAGGSA-N 0 3 256.777 2.319 20 30 CEEDHN C#CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000823845499 608032694 /nfs/dbraw/zinc/03/26/94/608032694.db2.gz VELWOEVTCKVQSH-UHFFFAOYSA-N 0 3 269.352 2.100 20 30 CEEDHN C#CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000823845499 608032695 /nfs/dbraw/zinc/03/26/95/608032695.db2.gz VELWOEVTCKVQSH-UHFFFAOYSA-N 0 3 269.352 2.100 20 30 CEEDHN C#CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000823845499 608032696 /nfs/dbraw/zinc/03/26/96/608032696.db2.gz VELWOEVTCKVQSH-UHFFFAOYSA-N 0 3 269.352 2.100 20 30 CEEDHN C#CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000823845499 608032697 /nfs/dbraw/zinc/03/26/97/608032697.db2.gz VELWOEVTCKVQSH-UHFFFAOYSA-N 0 3 269.352 2.100 20 30 CEEDHN C=CCCC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894309 608464779 /nfs/dbraw/zinc/46/47/79/608464779.db2.gz MYNOWHAPXQNQNR-LLVKDONJSA-N 0 3 257.341 2.484 20 30 CEEDHN C=CCCC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894309 608464780 /nfs/dbraw/zinc/46/47/80/608464780.db2.gz MYNOWHAPXQNQNR-LLVKDONJSA-N 0 3 257.341 2.484 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC000969334214 612963442 /nfs/dbraw/zinc/96/34/42/612963442.db2.gz UJPUHMVXKHDKMW-IAGOWNOFSA-N 0 3 282.387 2.004 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)C2CCC3(CC3)CC2)C1 ZINC000970170449 612996559 /nfs/dbraw/zinc/99/65/59/612996559.db2.gz RVDCZXGHBPMWQW-AWEZNQCLSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2cscc2C)C1 ZINC000969453111 612998559 /nfs/dbraw/zinc/99/85/59/612998559.db2.gz SWHFEWGRRSNWRS-LBPRGKRZSA-N 0 3 276.405 2.130 20 30 CEEDHN C#CCCN1CCCN(C(=O)C[C@H](C)c2cccnc2)CC1 ZINC000982078750 613002883 /nfs/dbraw/zinc/00/28/83/613002883.db2.gz SFQZANCRVPCQJA-INIZCTEOSA-N 0 3 299.418 2.133 20 30 CEEDHN C#CCCN1CCCN(C(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC000981783506 613003177 /nfs/dbraw/zinc/00/31/77/613003177.db2.gz JUCIISZWSVKJDR-HOTGVXAUSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC000967780605 613013211 /nfs/dbraw/zinc/01/32/11/613013211.db2.gz REKFUCKAGKKRDW-ZBFHGGJFSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2)C1 ZINC000964743672 613014216 /nfs/dbraw/zinc/01/42/16/613014216.db2.gz LJOAYHZVJHYXRT-ZBFHGGJFSA-N 0 3 270.376 2.150 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(F)cc2)C(C)(C)C1 ZINC000972737068 613038433 /nfs/dbraw/zinc/03/84/33/613038433.db2.gz KYFLBPWXSMMQIR-HNNXBMFYSA-N 0 3 288.366 2.289 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)C2CC3(CC3)C2)CC1 ZINC000948749586 613177876 /nfs/dbraw/zinc/17/78/76/613177876.db2.gz ZGPCZXHHXMAKPX-HNNXBMFYSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C(C)=C2CCCC2)C[C@@H]1C ZINC000947191811 613222286 /nfs/dbraw/zinc/22/22/86/613222286.db2.gz YEGPRQFRHYYSST-XJKSGUPXSA-N 0 3 274.408 2.479 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)C2CC2)C[C@@H]1C ZINC000947633144 613256690 /nfs/dbraw/zinc/25/66/90/613256690.db2.gz IDCWIFONBQEITR-JSGCOSHPSA-N 0 3 262.397 2.025 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)C[C@@H]1C ZINC000947171248 613257767 /nfs/dbraw/zinc/25/77/67/613257767.db2.gz RXCYNZAHGBECEI-STQMWFEESA-N 0 3 276.424 2.271 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(F)c2C)[C@@H](C)C1 ZINC000942063093 613270940 /nfs/dbraw/zinc/27/09/40/613270940.db2.gz CFVIZQHTVFMNJN-LRDDRELGSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCN1C[C@]2(C)CN(C(=O)C[C@H]3C=CCC3)C[C@]2(C)C1 ZINC000982204258 613292590 /nfs/dbraw/zinc/29/25/90/613292590.db2.gz ZGZVZLCJNDJYKL-RYQLBKOJSA-N 0 3 286.419 2.146 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2C=CC=CC=C2)C1 ZINC000969765791 613298423 /nfs/dbraw/zinc/29/84/23/613298423.db2.gz XYFSXSCZYCFXOM-CQSZACIVSA-N 0 3 272.392 2.297 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(Cl)c[nH]2)C1 ZINC000969280498 613300064 /nfs/dbraw/zinc/30/00/64/613300064.db2.gz KHJPULVBMYSTNM-SNVBAGLBSA-N 0 3 281.787 2.294 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccnc(C)c2)C1 ZINC000970623736 613300318 /nfs/dbraw/zinc/30/03/18/613300318.db2.gz YNNKMHGTDHAFKL-CYBMUJFWSA-N 0 3 273.380 2.016 20 30 CEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3cc(C)no3)C2)C1 ZINC000981616462 613305863 /nfs/dbraw/zinc/30/58/63/613305863.db2.gz FLYPVTDUMNDNLL-UHFFFAOYSA-N 0 3 289.379 2.097 20 30 CEEDHN C=C(C)CN1CCCN(C(=O)CC(C)(F)F)CC1 ZINC000981892504 613307629 /nfs/dbraw/zinc/30/76/29/613307629.db2.gz WKLPCFATWRVOQH-UHFFFAOYSA-N 0 3 260.328 2.142 20 30 CEEDHN C=C(C)CN1CCCN(C(=O)CCc2ccoc2)CC1 ZINC000980943898 613308314 /nfs/dbraw/zinc/30/83/14/613308314.db2.gz KGPKUNWCJZOYGV-UHFFFAOYSA-N 0 3 276.380 2.323 20 30 CEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)CC2=CCOCC2)C1 ZINC000968178031 613325305 /nfs/dbraw/zinc/32/53/05/613325305.db2.gz RCRDULXWLLATBM-GDBMZVCRSA-N 0 3 292.423 2.126 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)C2(C)CC2)C(C)(C)C1 ZINC000974611836 613337623 /nfs/dbraw/zinc/33/76/23/613337623.db2.gz KMYNYXZVXCNLCS-GFCCVEGCSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCCOCC2)C(C)(C)C1 ZINC000974526900 613338305 /nfs/dbraw/zinc/33/83/05/613338305.db2.gz UNFRTSDCRHMTKB-HUUCEWRRSA-N 0 3 294.439 2.206 20 30 CEEDHN C=C1CCC(C(=O)NC[C@@H]2[C@H]3CN(CC#CC)C[C@H]32)CC1 ZINC000978698763 613409092 /nfs/dbraw/zinc/40/90/92/613409092.db2.gz LJFKEPCPKKBHHI-OSYLJGHBSA-N 0 3 286.419 2.050 20 30 CEEDHN C=C[C@@H](C(=O)N1CC[C@@H](NCCF)C1)c1ccccc1 ZINC000970777642 613441341 /nfs/dbraw/zinc/44/13/41/613441341.db2.gz UDKNCOZCVYQEAP-HUUCEWRRSA-N 0 3 276.355 2.116 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2cnc3[nH]ccc3c2)CC1 ZINC000981395849 613496722 /nfs/dbraw/zinc/49/67/22/613496722.db2.gz HSGGSBXCURDLPT-UHFFFAOYSA-N 0 3 298.390 2.239 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2cn(C(C)C)cn2)CC1 ZINC000981687964 613497910 /nfs/dbraw/zinc/49/79/10/613497910.db2.gz UHOHVKSMVYCNPR-UHFFFAOYSA-N 0 3 290.411 2.188 20 30 CEEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(CC)on2)C1 ZINC000968553361 613516103 /nfs/dbraw/zinc/51/61/03/613516103.db2.gz LKIAWOCWLYTYEU-DOMZBBRYSA-N 0 3 291.395 2.253 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)c2cncs2)C(C)(C)C1 ZINC000972841532 613546304 /nfs/dbraw/zinc/54/63/04/613546304.db2.gz KSRKIIDRFFHGAX-GFCCVEGCSA-N 0 3 279.409 2.159 20 30 CEEDHN CC#CCN1CCC[C@H](N(C)C(=O)C2CC=CC2)CC1 ZINC000948261501 613559886 /nfs/dbraw/zinc/55/98/86/613559886.db2.gz NDBYRXRUFYYAOE-INIZCTEOSA-N 0 3 274.408 2.289 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)C2(C3CC3)CC2)[C@@H](C)C1 ZINC000942159135 613577416 /nfs/dbraw/zinc/57/74/16/613577416.db2.gz DFXQUSOPNPJFJL-DZGCQCFKSA-N 0 3 274.408 2.027 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)C2(C)CCCC2)[C@@H](C)C1 ZINC000942540295 613577508 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CC#CCN1CC[C@H](NC(=O)C(C)=C2CCC2)C[C@H]1C ZINC000947301057 613595371 /nfs/dbraw/zinc/59/53/71/613595371.db2.gz NMIRSHRKLAJZCJ-CJNGLKHVSA-N 0 3 274.408 2.479 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)C23CCC(CC2)C3)[C@@H](C)C1 ZINC000942186851 613596284 /nfs/dbraw/zinc/59/62/84/613596284.db2.gz AUIVIAPVDOJVPJ-VUGNNNGISA-N 0 3 288.435 2.417 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)C2CC3(CCC3)C2)[C@H](C)C1 ZINC000942565961 613597063 /nfs/dbraw/zinc/59/70/63/613597063.db2.gz TYAYEJZOGQYZOW-ZBFHGGJFSA-N 0 3 288.435 2.417 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)c(C)o2)[C@@H](C)C1 ZINC000941960358 613601078 /nfs/dbraw/zinc/60/10/78/613601078.db2.gz WCFCSIWPVFURKT-ZFWWWQNUSA-N 0 3 288.391 2.360 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2cc3c([nH]2)CCC3)C[C@@H]1C ZINC000947917358 613601781 /nfs/dbraw/zinc/60/17/81/613601781.db2.gz WDRBQQPVMITPFM-ZFWWWQNUSA-N 0 3 299.418 2.109 20 30 CEEDHN CC(=O)N1C[C@@H](CNCc2cc(F)ccc2C#N)C[C@@H]1C ZINC000980247869 613601871 /nfs/dbraw/zinc/60/18/71/613601871.db2.gz 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/nfs/dbraw/zinc/87/45/25/627874525.db2.gz JJQYIBOXCGUZSW-OAHLLOKOSA-N 0 3 297.443 2.095 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2cccs2)C1 ZINC001009934047 628726800 /nfs/dbraw/zinc/72/68/00/628726800.db2.gz MOTNZDDKSIPTAS-GFCCVEGCSA-N 0 3 264.394 2.057 20 30 CEEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2ccoc2)c1 ZINC000105261458 628771578 /nfs/dbraw/zinc/77/15/78/628771578.db2.gz MPQHVDARRVFKHD-ZDUSSCGKSA-N 0 3 284.271 2.249 20 30 CEEDHN N#Cc1ccc(NC[C@H]2CCCN2CCCO)c(Cl)c1 ZINC000894018724 629085005 /nfs/dbraw/zinc/08/50/05/629085005.db2.gz UGSHDRHHDIAIJH-CYBMUJFWSA-N 0 3 293.798 2.470 20 30 CEEDHN Cc1cc(F)c(C#N)c(NC[C@H]2CCCCN2CCO)c1 ZINC000894024226 629093249 /nfs/dbraw/zinc/09/32/49/629093249.db2.gz PQVWXJVFZTVWPO-CYBMUJFWSA-N 0 3 291.370 2.265 20 30 CEEDHN C#CC[C@H](NC[C@H]1[C@@H](C(=O)OC)C1(F)F)c1ccccc1 ZINC000894362278 629393771 /nfs/dbraw/zinc/39/37/71/629393771.db2.gz RJPJTCDLZPOSON-IHRRRGAJSA-N 0 3 293.313 2.395 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)c2cc(C#N)ccc2Cl)CCN1C ZINC000928437642 629664526 /nfs/dbraw/zinc/66/45/26/629664526.db2.gz RKRBMAGGWJWENM-ZANVPECISA-N 0 3 277.755 2.034 20 30 CEEDHN C#Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3C)cc1 ZINC000895095683 629890539 /nfs/dbraw/zinc/89/05/39/629890539.db2.gz HYTYKXZXFGXYCH-IAGOWNOFSA-N 0 3 297.402 2.046 20 30 CEEDHN C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCCN([O-])C1=O ZINC000895159314 629976585 /nfs/dbraw/zinc/97/65/85/629976585.db2.gz DWTDYLVPGSCSSS-WOPDTQHZSA-N 0 3 254.374 2.171 20 30 CEEDHN C[C@@H](CC[NH2+][C@@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000895159008 629977448 /nfs/dbraw/zinc/97/74/48/629977448.db2.gz BJEKHWDMGSKVPC-GXTWGEPZSA-N 0 3 262.353 2.150 20 30 CEEDHN O=C1[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCCN1[O-] ZINC000895160178 629977470 /nfs/dbraw/zinc/97/74/70/629977470.db2.gz KRVYSEISZHJIHV-IVZWLZJFSA-N 0 3 280.290 2.077 20 30 CEEDHN CCC1(C)CCC([NH2+][C@H]2CCCN([O-])C2=O)CC1 ZINC000895163254 629984051 /nfs/dbraw/zinc/98/40/51/629984051.db2.gz SNXWNIZFPGOPCT-LXVYMNJGSA-N 0 3 254.374 2.315 20 30 CEEDHN CCC1(C)CCC([NH2+][C@@H]2CCCN([O-])C2=O)CC1 ZINC000895163256 629984708 /nfs/dbraw/zinc/98/47/08/629984708.db2.gz SNXWNIZFPGOPCT-MBHSVXNSSA-N 0 3 254.374 2.315 20 30 CEEDHN C#CC(C)(C)N(C)C[C@@H](O)c1cc(OC)ccc1OC ZINC000794574989 630004916 /nfs/dbraw/zinc/00/49/16/630004916.db2.gz SPVDALTYGOBTKQ-CQSZACIVSA-N 0 3 277.364 2.081 20 30 CEEDHN CC(C)(C#N)c1ccc(CN[C@@H]2C(=O)NCC2(C)C)cc1 ZINC000895320629 630107504 /nfs/dbraw/zinc/10/75/04/630107504.db2.gz HRGXFQYSHBSPMN-CQSZACIVSA-N 0 3 285.391 2.102 20 30 CEEDHN COCCCON=Cc1ccc2c(c1)CCCN2C ZINC000795055308 630128404 /nfs/dbraw/zinc/12/84/04/630128404.db2.gz KFZXVTDWWZTBFW-UHFFFAOYSA-N 0 3 262.353 2.456 20 30 CEEDHN C#CC1(O)CCN(Cc2cccc(OCC=C)c2)CC1 ZINC000895379630 630151218 /nfs/dbraw/zinc/15/12/18/630151218.db2.gz LVGJTYBYQCPLDD-UHFFFAOYSA-N 0 3 271.360 2.212 20 30 CEEDHN C#CCCN(CCOC)Cc1ccc(C(=O)OC)c(C)c1 ZINC000895471222 630208171 /nfs/dbraw/zinc/20/81/71/630208171.db2.gz LJAYOXURNHWHJM-UHFFFAOYSA-N 0 3 289.375 2.253 20 30 CEEDHN COc1ccc(C2=NO[C@H](CN[C@H]3CC[C@H](C#N)C3)C2)cc1 ZINC000895496602 630224497 /nfs/dbraw/zinc/22/44/97/630224497.db2.gz SWIILMHMVVJYIS-NOLJZWGESA-N 0 3 299.374 2.470 20 30 CEEDHN C#CCOc1ccccc1CNCC1(CC#N)CC1 ZINC000797468956 630243243 /nfs/dbraw/zinc/24/32/43/630243243.db2.gz SMKVVKPMWKQDID-UHFFFAOYSA-N 0 3 254.333 2.482 20 30 CEEDHN COc1ccc([C@@H](O)CN[C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902736775 634802642 /nfs/dbraw/zinc/80/26/42/634802642.db2.gz XFBZONNMYZYBRU-PXAZEXFGSA-N 0 3 297.358 2.346 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cnc2ccccc2n1 ZINC000895712640 630310701 /nfs/dbraw/zinc/31/07/01/630310701.db2.gz BQGXRLCETSMCCK-GFCCVEGCSA-N 0 3 257.337 2.047 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cc(C(=O)OC)c(CC)o1 ZINC000895713963 630311856 /nfs/dbraw/zinc/31/18/56/630311856.db2.gz XJIFKIDXGPOLRS-LLVKDONJSA-N 0 3 281.352 2.045 20 30 CEEDHN C[C@@H]1[C@@H](Nc2cc(Br)cnc2C#N)CCN1C ZINC000895736310 630326356 /nfs/dbraw/zinc/32/63/56/630326356.db2.gz KHHLKWHJKMWUOI-SCZZXKLOSA-N 0 3 295.184 2.220 20 30 CEEDHN C=CCC1(O)CCN(Cc2c(CC)nn(C)c2CC)CC1 ZINC000895835766 630371680 /nfs/dbraw/zinc/37/16/80/630371680.db2.gz ODDUJUOWLMKRHJ-UHFFFAOYSA-N 0 3 291.439 2.448 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cn(-c2ccccc2)nn1 ZINC000797878309 630771757 /nfs/dbraw/zinc/77/17/57/630771757.db2.gz SPFYXEZXRONSFK-RHSMWYFYSA-N 0 3 298.390 2.338 20 30 CEEDHN C=CCN1CC[C@H](N[C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000798396090 630864864 /nfs/dbraw/zinc/86/48/64/630864864.db2.gz SYDCMFDJTIXCIN-CJNGLKHVSA-N 0 3 287.407 2.190 20 30 CEEDHN C=C(CC)C[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799174375 630991101 /nfs/dbraw/zinc/99/11/01/630991101.db2.gz NQBRBNSACVETFV-UHFFFAOYSA-N 0 3 278.318 2.343 20 30 CEEDHN CC1(C)CCN(CCNc2ncc([N+](=O)[O-])cc2C#N)C1 ZINC000897249655 631014341 /nfs/dbraw/zinc/01/43/41/631014341.db2.gz YOLLNNTZBRWHRL-UHFFFAOYSA-N 0 3 289.339 2.005 20 30 CEEDHN Cc1ccc(C(=O)N(C)CCN2CCCC2)cc1C#N ZINC000799607733 631050497 /nfs/dbraw/zinc/05/04/97/631050497.db2.gz CSRJCBKORVJFFG-UHFFFAOYSA-N 0 3 271.364 2.035 20 30 CEEDHN Cc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1C#N ZINC000799686806 631062549 /nfs/dbraw/zinc/06/25/49/631062549.db2.gz ZEAQYNLGALYXQT-BLLLJJGKSA-N 0 3 283.375 2.079 20 30 CEEDHN CCCCCCCS(=O)(=O)NC[C@H](C)N1CCCC1 ZINC000799759969 631075062 /nfs/dbraw/zinc/07/50/62/631075062.db2.gz ADAOYPUAKHQCGO-AWEZNQCLSA-N 0 3 290.473 2.361 20 30 CEEDHN N#Cc1ccc2ncc(CNC3([C@@H]4CCCCO4)CC3)n2c1 ZINC000897386754 631268667 /nfs/dbraw/zinc/26/86/67/631268667.db2.gz GJXMMSHJPZSSOS-HNNXBMFYSA-N 0 3 296.374 2.397 20 30 CEEDHN CC[C@@H](NCCO[C@@H](C)C#N)c1c(C)noc1C ZINC000801939964 631363634 /nfs/dbraw/zinc/36/36/34/631363634.db2.gz XHGANFXXOPKLEH-JOYOIKCWSA-N 0 3 251.330 2.261 20 30 CEEDHN C[C@H](C#N)OCCN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000801951956 631369906 /nfs/dbraw/zinc/36/99/06/631369906.db2.gz MLJZGTWFGQSOMS-KXUCPTDWSA-N 0 3 250.264 2.188 20 30 CEEDHN C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC000988102672 631482604 /nfs/dbraw/zinc/48/26/04/631482604.db2.gz LKQZYVSOIBKGHB-STQMWFEESA-N 0 3 274.364 2.161 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)C2CCCCCC2)C1 ZINC000988354855 631518050 /nfs/dbraw/zinc/51/80/50/631518050.db2.gz TYNUOFHZDOXGKJ-HIFRSBDPSA-N 0 3 262.397 2.169 20 30 CEEDHN CC(C)CN1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000054462467 631561074 /nfs/dbraw/zinc/56/10/74/631561074.db2.gz FFCGPXCDUMMJPL-BQYQJAHWSA-N 0 3 297.402 2.372 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C(C)C)nc2)C1 ZINC000988961550 631710750 /nfs/dbraw/zinc/71/07/50/631710750.db2.gz PACOXJMGEMJRTF-HIFRSBDPSA-N 0 3 285.391 2.031 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCc2ccc(C)cc2)C1 ZINC000989152343 631736732 /nfs/dbraw/zinc/73/67/32/631736732.db2.gz CXZYYRNEHNSJLJ-DOTOQJQBSA-N 0 3 284.403 2.140 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)C2CCC3(CC3)CC2)C1 ZINC000989204650 631747776 /nfs/dbraw/zinc/74/77/76/631747776.db2.gz ZWZNGJWELRISDH-UKRRQHHQSA-N 0 3 274.408 2.169 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC000989258580 631762306 /nfs/dbraw/zinc/76/23/06/631762306.db2.gz IEFYZVDSRCXWEY-HIFRSBDPSA-N 0 3 295.386 2.302 20 30 CEEDHN C#CCCCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000806876807 631786060 /nfs/dbraw/zinc/78/60/60/631786060.db2.gz DDGPPXZTNLUQKM-GDBMZVCRSA-N 0 3 287.407 2.390 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc(Cl)c2F)C1 ZINC000989380142 631803147 /nfs/dbraw/zinc/80/31/47/631803147.db2.gz LLOKYMCEWCDOMG-QWRGUYRKSA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCCNC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000807441959 631840784 /nfs/dbraw/zinc/84/07/84/631840784.db2.gz SHFTWVMKFSYVFF-STQMWFEESA-N 0 3 277.368 2.031 20 30 CEEDHN N#CC(C(=O)c1ccnc(C(F)(F)F)c1)c1ccncn1 ZINC000808999457 632032434 /nfs/dbraw/zinc/03/24/34/632032434.db2.gz JPEJDYQYIZKYNM-VIFPVBQESA-N 0 3 292.220 2.380 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(C)C)cn2)C1 ZINC000989450807 632039191 /nfs/dbraw/zinc/03/91/91/632039191.db2.gz QALAGCPKRBWDNH-DZGCQCFKSA-N 0 3 285.391 2.031 20 30 CEEDHN C=CCN(Cc1cc(C(=O)OC)n(C)c1)C(C)C 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N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1CCCSC1 ZINC000810530054 632223513 /nfs/dbraw/zinc/22/35/13/632223513.db2.gz UONARQSHVZYTGS-AAEUAGOBSA-N 0 3 294.420 2.287 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(Cl)cc2)C1 ZINC000989703317 632227362 /nfs/dbraw/zinc/22/73/62/632227362.db2.gz JZTILDAYERMYAK-FZMZJTMJSA-N 0 3 276.767 2.166 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C)cc(C)c2)C1 ZINC000989721660 632231182 /nfs/dbraw/zinc/23/11/82/632231182.db2.gz DMWNMUQPIFUBRI-GDBMZVCRSA-N 0 3 270.376 2.129 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCc2ccc(C)s2)C1 ZINC000989863216 632258184 /nfs/dbraw/zinc/25/81/84/632258184.db2.gz DMHJQJKGUSUKDY-OCCSQVGLSA-N 0 3 290.432 2.201 20 30 CEEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925325816 632275349 /nfs/dbraw/zinc/27/53/49/632275349.db2.gz SMDBMUWMGXSCPR-ZIAGYGMSSA-N 0 3 267.417 2.467 20 30 CEEDHN C=C(C)CN1CC[C@@]2(NC(=O)C(C)(F)F)CCC[C@@H]12 ZINC000989906378 632276122 /nfs/dbraw/zinc/27/61/22/632276122.db2.gz PUYWIPHXZUMJKX-RISCZKNCSA-N 0 3 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C#CCN1CC[C@]2(NC(=O)Cc3cccc(C)c3)CCC[C@H]12 ZINC000992154151 639976431 /nfs/dbraw/zinc/97/64/31/639976431.db2.gz PCOIJTSUEROMJW-PKOBYXMFSA-N 0 3 296.414 2.284 20 30 CEEDHN CO[C@@H](CC(C)C)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000842284542 639997011 /nfs/dbraw/zinc/99/70/11/639997011.db2.gz LUZMJFGXKGKCOC-JSGCOSHPSA-N 0 3 275.352 2.331 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H]3CC34CCC4)CCC[C@H]12 ZINC000992257272 640006792 /nfs/dbraw/zinc/00/67/92/640006792.db2.gz HKARWLCDHQHLAW-RLFYNMQTSA-N 0 3 286.419 2.313 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CC34CC4)CCC[C@H]12 ZINC000992281947 640012625 /nfs/dbraw/zinc/01/26/25/640012625.db2.gz DFNKNNOCTKUJHV-DVOMOZLQSA-N 0 3 260.381 2.086 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3C3CCC3)CCC[C@@H]12 ZINC000992332216 640027180 /nfs/dbraw/zinc/02/71/80/640027180.db2.gz AFMHMFRNFLIIAD-BVIKNXMNSA-N 0 3 286.419 2.169 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCc2ccc(Cl)cc21 ZINC000877093045 650568745 /nfs/dbraw/zinc/56/87/45/650568745.db2.gz 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Cc1[nH]ncc1CN=Nc1c(F)c(F)nc(F)c1F ZINC000915948451 640707362 /nfs/dbraw/zinc/70/73/62/640707362.db2.gz LZWWVGFSILIMDR-UHFFFAOYSA-N 0 3 273.193 2.116 20 30 CEEDHN C[C@@H](O)[C@@H]1CCCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877170538 650608505 /nfs/dbraw/zinc/60/85/05/650608505.db2.gz QBGYFQNKPAYPQO-UKRRQHHQSA-N 0 3 287.407 2.217 20 30 CEEDHN C=C[C@H](C)ONC(=O)N(CCC)CCN1CCCC1 ZINC000845616174 641020085 /nfs/dbraw/zinc/02/00/85/641020085.db2.gz HKOIHSJRZBVZJA-ZDUSSCGKSA-N 0 3 269.389 2.010 20 30 CEEDHN C#CCCCCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000154944130 641029348 /nfs/dbraw/zinc/02/93/48/641029348.db2.gz IEFCXBCFLULBKF-UHFFFAOYSA-N 0 3 279.428 2.306 20 30 CEEDHN C#C[C@H](N[C@@H](C)c1cccc(OC)c1O)[C@H]1CCCO1 ZINC000846163197 641207789 /nfs/dbraw/zinc/20/77/89/641207789.db2.gz GNPMKACCPUWYGJ-FPMFFAJLSA-N 0 3 275.348 2.232 20 30 CEEDHN C=CCNC(=S)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000921268348 641242790 /nfs/dbraw/zinc/24/27/90/641242790.db2.gz HSJNXCWDSDBGIW-CQSZACIVSA-N 0 3 277.437 2.248 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cc2cnccc2o1 ZINC000877269186 650648047 /nfs/dbraw/zinc/64/80/47/650648047.db2.gz AZDAVLIGPRSCCJ-GXSJLCMTSA-N 0 3 293.754 2.475 20 30 CEEDHN COCC(C)(C)N1CCN(c2ccc(C#N)cc2C)CC1 ZINC000846750406 641410361 /nfs/dbraw/zinc/41/03/61/641410361.db2.gz CFLFMLMXASLWCV-UHFFFAOYSA-N 0 3 287.407 2.414 20 30 CEEDHN C#CCN(C[C@@H]1CN(CC)C(=O)O1)C1CCCCC1 ZINC000846781562 641421530 /nfs/dbraw/zinc/42/15/30/641421530.db2.gz KHACNVWKXUEXML-AWEZNQCLSA-N 0 3 264.369 2.095 20 30 CEEDHN CC(=O)C1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000846949626 641495754 /nfs/dbraw/zinc/49/57/54/641495754.db2.gz JYQADBKQFMVCCS-UHFFFAOYSA-N 0 3 299.374 2.188 20 30 CEEDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc(C#N)ccc1F ZINC000846975017 641505594 /nfs/dbraw/zinc/50/55/94/641505594.db2.gz WGXAUTXYDUGREX-CYBMUJFWSA-N 0 3 289.354 2.254 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1ccco1 ZINC000069911974 641614555 /nfs/dbraw/zinc/61/45/55/641614555.db2.gz SVPDLZVEWAYRMD-ZDUSSCGKSA-N 0 3 276.336 2.227 20 30 CEEDHN N#CCCCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000847623012 641708073 /nfs/dbraw/zinc/70/80/73/641708073.db2.gz DMZOLEJIZRZVFT-AWEZNQCLSA-N 0 3 283.331 2.096 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](c2nc(C)cs2)C1 ZINC000877350691 650685506 /nfs/dbraw/zinc/68/55/06/650685506.db2.gz GNFWMAVKGDLCLK-GHMZBOCLSA-N 0 3 299.827 2.237 20 30 CEEDHN C=CC[NH2+][C@@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC000995502001 641983162 /nfs/dbraw/zinc/98/31/62/641983162.db2.gz PTIKIQUUNLOHCC-CQSZACIVSA-N 0 3 274.364 2.018 20 30 CEEDHN C#CCCCCCCN1CCN(C(C)(C)C(=O)OC)CC1 ZINC000877428641 650716455 /nfs/dbraw/zinc/71/64/55/650716455.db2.gz MRMUKWRJDUDKLO-UHFFFAOYSA-N 0 3 294.439 2.139 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CC(Nc2ccccc2)C1 ZINC000877434663 650719373 /nfs/dbraw/zinc/71/93/73/650719373.db2.gz IVEBPXPKHXNJFG-JXQTWKCFSA-N 0 3 293.798 2.216 20 30 CEEDHN C#Cc1ccc(C(=O)N2C[C@@H](NCCF)C(C)(C)C2)cc1 ZINC000996116293 642090309 /nfs/dbraw/zinc/09/03/09/642090309.db2.gz SUOXRGDQUWTKMR-OAHLLOKOSA-N 0 3 288.366 2.078 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299.418 2.483 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)c3cccs3)CC2)CC1 ZINC001000065192 642532084 /nfs/dbraw/zinc/53/20/84/642532084.db2.gz LKLPVGNHSGWBOY-UHFFFAOYSA-N 0 3 288.416 2.356 20 30 CEEDHN CC#CCN1CCC(C2(NC(=O)c3cccnc3)CC2)CC1 ZINC001000061007 642532607 /nfs/dbraw/zinc/53/26/07/642532607.db2.gz ZFBXFFQEBRNQJS-UHFFFAOYSA-N 0 3 297.402 2.079 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3CC[C@H](F)C3)CC2)CC1 ZINC001000246237 642571965 /nfs/dbraw/zinc/57/19/65/642571965.db2.gz WLOGYLDZOMPCIT-HIFRSBDPSA-N 0 3 292.398 2.119 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3CC34CCC4)CC2)CC1 ZINC001000272131 642574027 /nfs/dbraw/zinc/57/40/27/642574027.db2.gz BVLLDQFGBVNJTC-HNNXBMFYSA-N 0 3 286.419 2.171 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2nccc3occc32)CC1 ZINC001000985237 642676626 /nfs/dbraw/zinc/67/66/26/642676626.db2.gz MPWZGCWPPNWUAI-UHFFFAOYSA-N 0 3 297.358 2.376 20 30 CEEDHN C=CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001001183071 642698341 /nfs/dbraw/zinc/69/83/41/642698341.db2.gz 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ZINC000783732711 647753371 /nfs/dbraw/zinc/75/33/71/647753371.db2.gz DXRYCRZCRQKSAU-ZBFHGGJFSA-N 0 3 259.349 2.066 20 30 CEEDHN C=CCn1cc(CN[C@H](C)Cc2cccc(C)c2)nn1 ZINC000866379198 647765004 /nfs/dbraw/zinc/76/50/04/647765004.db2.gz JVENOKKLODCGDU-CQSZACIVSA-N 0 3 270.380 2.493 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CO)C2CC2)c(Cl)c1 ZINC000784347910 647840245 /nfs/dbraw/zinc/84/02/45/647840245.db2.gz PVYXWKFJKJFJJO-ZDUSSCGKSA-N 0 3 250.729 2.072 20 30 CEEDHN Cc1cc([C@@H](C)N[C@H]2Cc3ccc(C#N)cc3C2)nn1C ZINC000866617697 647844189 /nfs/dbraw/zinc/84/41/89/647844189.db2.gz NRSOTSNPVZVOMC-WBMJQRKESA-N 0 3 280.375 2.418 20 30 CEEDHN N#CC(C(=O)NCc1cccc(Cl)c1)C(=O)C1CC1 ZINC000786529616 648024730 /nfs/dbraw/zinc/02/47/30/648024730.db2.gz BPJSBJSCXMYNRO-GFCCVEGCSA-N 0 3 276.723 2.075 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000868025758 648025129 /nfs/dbraw/zinc/02/51/29/648025129.db2.gz CJLCWVARNVSGIB-OUAUKWLOSA-N 0 3 289.301 2.021 20 30 CEEDHN CC[C@H](C)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786548042 648025767 /nfs/dbraw/zinc/02/57/67/648025767.db2.gz GMXYBLKCPZQQJZ-GXTWGEPZSA-N 0 3 272.348 2.366 20 30 CEEDHN CC[C@@H](C)C(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786561391 648027067 /nfs/dbraw/zinc/02/70/67/648027067.db2.gz UFFUQIRWHCMXJC-BXKDBHETSA-N 0 3 294.301 2.336 20 30 CEEDHN C[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787075015 648070841 /nfs/dbraw/zinc/07/08/41/648070841.db2.gz UEKKYRQAPKDXIY-XBFCOCLRSA-N 0 3 270.332 2.010 20 30 CEEDHN COCCNC(=O)C(C#N)C(=O)CCCCC(C)(C)C ZINC000805852800 648141952 /nfs/dbraw/zinc/14/19/52/648141952.db2.gz BTSLJVMAYYTVSQ-LBPRGKRZSA-N 0 3 282.384 2.064 20 30 CEEDHN C#CCCN1CCN(CCCCOC(C)(C)C)CC1 ZINC000789362838 648293279 /nfs/dbraw/zinc/29/32/79/648293279.db2.gz UZGSYWVWLHZHBD-UHFFFAOYSA-N 0 3 266.429 2.223 20 30 CEEDHN N#CC1(COC(=O)C2CCN(C3CC3)CC2)CCC1 ZINC000805919171 648397300 /nfs/dbraw/zinc/39/73/00/648397300.db2.gz GUXTWOVGUPFMHE-UHFFFAOYSA-N 0 3 262.353 2.098 20 30 CEEDHN COCCCOc1cccc(CN=Nc2nccn2C)c1 ZINC000790305978 648404609 /nfs/dbraw/zinc/40/46/09/648404609.db2.gz RRLRLEMQYHMUDL-UHFFFAOYSA-N 0 3 288.351 2.281 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@]12CCC[C@H]1OCC2 ZINC000872314914 649354514 /nfs/dbraw/zinc/35/45/14/649354514.db2.gz HYHVOCMXQOZJHU-CVEARBPZSA-N 0 3 272.348 2.368 20 30 CEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000874827755 649843765 /nfs/dbraw/zinc/84/37/65/649843765.db2.gz UBRMEIYHZYVMPU-CPUCHLNUSA-N 0 3 287.407 2.156 20 30 CEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(CC#N)cc1 ZINC000874833301 649845807 /nfs/dbraw/zinc/84/58/07/649845807.db2.gz MDQDCRCULMRWCJ-HZPDHXFCSA-N 0 3 283.375 2.061 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC[C@H](c2cccnc2)C1 ZINC000878753280 651179669 /nfs/dbraw/zinc/17/96/69/651179669.db2.gz IBXVIMHQFFKDOS-ZFWWWQNUSA-N 0 3 259.353 2.190 20 30 CEEDHN N#CC[C@@]1(O)CCN(CC[C@@H]2CCCC2(F)F)C1 ZINC000878761148 651181030 /nfs/dbraw/zinc/18/10/30/651181030.db2.gz HFWJXXHTGUBWGY-NWDGAFQWSA-N 0 3 258.312 2.162 20 30 CEEDHN C[C@H](C#N)OCCN1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000878903997 651206862 /nfs/dbraw/zinc/20/68/62/651206862.db2.gz JNNQSCCYGUBNSF-HIFRSBDPSA-N 0 3 296.374 2.348 20 30 CEEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000878942124 651214582 /nfs/dbraw/zinc/21/45/82/651214582.db2.gz XHNOPCPZTYAJSL-AWEZNQCLSA-N 0 3 282.428 2.158 20 30 CEEDHN C#CCCCCCN1CCc2c(cccc2C(N)=O)C1 ZINC000879000846 651226244 /nfs/dbraw/zinc/22/62/44/651226244.db2.gz ZOFWQRNIOXKCTH-UHFFFAOYSA-N 0 3 270.376 2.337 20 30 CEEDHN C#CCOCCN[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000879114536 651245474 /nfs/dbraw/zinc/24/54/74/651245474.db2.gz LDSKXYOXLAKKCO-CQSZACIVSA-N 0 3 285.746 2.142 20 30 CEEDHN C#CCN(Cc1ccc(OC)cc1)[C@@H](C)CCCO ZINC000879285064 651276085 /nfs/dbraw/zinc/27/60/85/651276085.db2.gz NYMRBWRWURRFLD-AWEZNQCLSA-N 0 3 261.365 2.291 20 30 CEEDHN C[C@H]1CCCN1CCNC(=O)c1sccc1CC#N ZINC000879537196 651318092 /nfs/dbraw/zinc/31/80/92/651318092.db2.gz VGUKXBFJKWBCGR-NSHDSACASA-N 0 3 277.393 2.028 20 30 CEEDHN CCO[C@@H](CN1CCN(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000879587296 651327964 /nfs/dbraw/zinc/32/79/64/651327964.db2.gz PXPVAGDYYNVOIN-SFHVURJKSA-N 0 3 299.418 2.495 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000879995776 651370988 /nfs/dbraw/zinc/37/09/88/651370988.db2.gz IFTAALQOMMYJLO-GJZGRUSLSA-N 0 3 265.328 2.216 20 30 CEEDHN COc1cccc2c1CC[C@]2(CO)NCCC(C)(C)C#N ZINC000880385413 651434187 /nfs/dbraw/zinc/43/41/87/651434187.db2.gz YYHJCZXTCKVYCH-QGZVFWFLSA-N 0 3 288.391 2.358 20 30 CEEDHN C=C(Br)Cn1cc([C@H](N)C(C)(C)C)nn1 ZINC000881427880 651718728 /nfs/dbraw/zinc/71/87/28/651718728.db2.gz SUCFHTGSKZTSMW-VIFPVBQESA-N 0 3 273.178 2.233 20 30 CEEDHN CCN1CC[C@@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000882961666 652292119 /nfs/dbraw/zinc/29/21/19/652292119.db2.gz UCEPGCYITLKZSG-SECBINFHSA-N 0 3 250.733 2.113 20 30 CEEDHN C#CC[C@H](CO)NCc1ccccc1OCc1ccncc1 ZINC000883122809 652368746 /nfs/dbraw/zinc/36/87/46/652368746.db2.gz AMHATDFZWRBLLI-QGZVFWFLSA-N 0 3 296.370 2.134 20 30 CEEDHN C#CC[C@H](CO)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000883123202 652369444 /nfs/dbraw/zinc/36/94/44/652369444.db2.gz PKVPZCWANVQUHY-CYBMUJFWSA-N 0 3 276.336 2.192 20 30 CEEDHN C#CC[C@@H](CO)NCc1cc(OC)cc(C(F)(F)F)c1 ZINC000883125808 652370741 /nfs/dbraw/zinc/37/07/41/652370741.db2.gz VNCKTJHDIHWFSE-LBPRGKRZSA-N 0 3 287.281 2.188 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccccc1OCC(C)C ZINC000883125483 652370875 /nfs/dbraw/zinc/37/08/75/652370875.db2.gz KKXXBGLEOYWPGS-HNNXBMFYSA-N 0 3 261.365 2.195 20 30 CEEDHN C=CCC[C@H](Cc1ccccc1)NCc1nncn1C ZINC000883172040 652388097 /nfs/dbraw/zinc/38/80/97/652388097.db2.gz RTRGZQFPSFWSPA-OAHLLOKOSA-N 0 3 270.380 2.482 20 30 CEEDHN C=CCC[C@H](NCc1ccnc(N(C)C)n1)[C@H]1CCCO1 ZINC000883210567 652401586 /nfs/dbraw/zinc/40/15/86/652401586.db2.gz WCVOKYKNSKZHCT-LSDHHAIUSA-N 0 3 290.411 2.146 20 30 CEEDHN Cc1ccc([C@H](C)NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1 ZINC000884068659 652693683 /nfs/dbraw/zinc/69/36/83/652693683.db2.gz ZZTRQHKSNGZWDT-VADGTKANSA-N 0 3 297.402 2.312 20 30 CEEDHN CC[C@@H]1CCCCCN1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884144207 652727580 /nfs/dbraw/zinc/72/75/80/652727580.db2.gz DWJUOCANQYZVBD-KRIMKBQASA-N 0 3 289.423 2.307 20 30 CEEDHN CC1(C)CCCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC000884155058 652731832 /nfs/dbraw/zinc/73/18/32/652731832.db2.gz ULTXKOFDICGWMA-XOYHFGRZSA-N 0 3 289.423 2.164 20 30 CEEDHN CC(C)[C@@H](C)N(C(=O)C1CC2(C1)CNC[C@@H]2C#N)C1CC1 ZINC000884307827 652789590 /nfs/dbraw/zinc/78/95/90/652789590.db2.gz WDLYPPSDCDIOBD-ZBUZPQQSSA-N 0 3 289.423 2.161 20 30 CEEDHN CN(CCC(C)(C)C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884374935 652821983 /nfs/dbraw/zinc/82/19/83/652821983.db2.gz GWTZCOGTQVPPRU-UYJPIKCFSA-N 0 3 277.412 2.020 20 30 CEEDHN C=CCCCCCN1C[C@@H](NC(=O)C(C)C)[C@H](OC)C1 ZINC001211857658 805584807 /nfs/dbraw/zinc/58/48/07/805584807.db2.gz ZKYIRLZVHRQXBU-HUUCEWRRSA-N 0 3 282.428 2.204 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ncoc2C)[C@H]1CC ZINC001087515262 805656224 /nfs/dbraw/zinc/65/62/24/805656224.db2.gz JDPWKYJYIBIEFS-QWHCGFSZSA-N 0 3 277.368 2.142 20 30 CEEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001270919496 805687964 /nfs/dbraw/zinc/68/79/64/805687964.db2.gz LMPOXMDGNHHANN-CABCVRRESA-N 0 3 276.424 2.130 20 30 CEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2ccns2)C1 ZINC001270965996 805701157 /nfs/dbraw/zinc/70/11/57/805701157.db2.gz TYPMVPAFFWEBAY-AWEZNQCLSA-N 0 3 279.409 2.161 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2onc(C)c2C)[C@H]1CC ZINC001087616960 805760346 /nfs/dbraw/zinc/76/03/46/805760346.db2.gz YTPYIPFUNKLPNI-UONOGXRCSA-N 0 3 291.395 2.450 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccccc2)[C@H]1CC ZINC001087627278 805763748 /nfs/dbraw/zinc/76/37/48/805763748.db2.gz VEYBTEFRPOVNSJ-DLBZAZTESA-N 0 3 284.403 2.222 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cnc3ccccn32)[C@H]1CC ZINC001087631894 805763895 /nfs/dbraw/zinc/76/38/95/805763895.db2.gz ADFXARMNJWSCMZ-UONOGXRCSA-N 0 3 298.390 2.103 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)[C@H]1CC ZINC001087664133 805768989 /nfs/dbraw/zinc/76/89/89/805768989.db2.gz VHOFPCVAQXMICI-LUKYLMHMSA-N 0 3 288.435 2.415 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2conc2C)[C@H]1CC ZINC001087710458 805776035 /nfs/dbraw/zinc/77/60/35/805776035.db2.gz AUGJIHFNSJMFAR-UONOGXRCSA-N 0 3 277.368 2.142 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C(F)F)n[nH]2)[C@H]1CC ZINC001087720129 805779543 /nfs/dbraw/zinc/77/95/43/805779543.db2.gz DOVJBANDMAVCED-JOYOIKCWSA-N 0 3 298.337 2.116 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)c3ccsc3)C2)C1 ZINC001040050863 805846748 /nfs/dbraw/zinc/84/67/48/805846748.db2.gz OBTRPLJYEJLJAY-MRXNPFEDSA-N 0 3 288.416 2.309 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C[C@H]3C=CCC3)C2)C1 ZINC001040059877 805883420 /nfs/dbraw/zinc/88/34/20/805883420.db2.gz OUHCDIDUALDQIL-FUHWJXTLSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC3(C)C)C[C@@H]2C1 ZINC001088072512 805907722 /nfs/dbraw/zinc/90/77/22/805907722.db2.gz INNUBCRNUMHEEK-PMPSAXMXSA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccccc3CC)C[C@@H]2C1 ZINC001088084538 805919341 /nfs/dbraw/zinc/91/93/41/805919341.db2.gz SZJWRJLWHZEGLX-SJORKVTESA-N 0 3 296.414 2.276 20 30 CEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)[C@H](F)CC ZINC001271812083 806100903 /nfs/dbraw/zinc/10/09/03/806100903.db2.gz FKTKUKWNXCDXMO-MRXNPFEDSA-N 0 3 290.382 2.376 20 30 CEEDHN C#CCCCCC(=O)N1C[C@H]2CN(C/C=C\Cl)C[C@H]2C1 ZINC001271846249 806115479 /nfs/dbraw/zinc/11/54/79/806115479.db2.gz SLOPPXSLDUZHEX-JKUMZLIPSA-N 0 3 294.826 2.323 20 30 CEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC001040145432 806253207 /nfs/dbraw/zinc/25/32/07/806253207.db2.gz OLFGMEKPQZKGGZ-ZNZANGIRSA-N 0 3 274.408 2.290 20 30 CEEDHN CN1CC2(C1)CCN(C(=O)CCc1cccc(C#N)c1)CC2 ZINC001272046098 806378444 /nfs/dbraw/zinc/37/84/44/806378444.db2.gz SUEDWKVPSHGNHC-UHFFFAOYSA-N 0 3 297.402 2.045 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC001272061914 806402971 /nfs/dbraw/zinc/40/29/71/806402971.db2.gz VMFYSDOBLKULSH-UHFFFAOYSA-N 0 3 298.390 2.267 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccn(C(F)F)n2)[C@H]1C ZINC001088592208 806493753 /nfs/dbraw/zinc/49/37/53/806493753.db2.gz VCDSMXLLCDZSFJ-MNOVXSKESA-N 0 3 298.337 2.047 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2scnc2CC)[C@H]1C ZINC001088608014 806531607 /nfs/dbraw/zinc/53/16/07/806531607.db2.gz DRCXOCBANCXWSY-YPMHNXCESA-N 0 3 293.436 2.474 20 30 CEEDHN C=CCOc1ccccc1C(=O)N[C@H]1CCN(CC)[C@@H]1C ZINC001088672360 806586493 /nfs/dbraw/zinc/58/64/93/806586493.db2.gz XBIWIGVDJCTDIC-HIFRSBDPSA-N 0 3 288.391 2.464 20 30 CEEDHN CN(C)/C=N/c1ccc(NC[C@H]2C[C@@](C)(O)C2)cc1C#N ZINC001168344550 806667182 /nfs/dbraw/zinc/66/71/82/806667182.db2.gz RBJDGUJAGSFSDW-LCRRJFAPSA-N 0 3 286.379 2.353 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C)cc(C)n3)[C@@H]2C1 ZINC001075974976 806701020 /nfs/dbraw/zinc/70/10/20/806701020.db2.gz HJNHKMRBYJXAKD-DOTOQJQBSA-N 0 3 299.418 2.421 20 30 CEEDHN CC(C)C#CC(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001126834678 806713425 /nfs/dbraw/zinc/71/34/25/806713425.db2.gz XWBCPTBVZZWFMW-ZDUSSCGKSA-N 0 3 276.355 2.252 20 30 CEEDHN O=C(C#CC1CC1)NCCNCc1ccc(Cl)s1 ZINC001126886730 806751989 /nfs/dbraw/zinc/75/19/89/806751989.db2.gz XRYYATWRVOZFSY-UHFFFAOYSA-N 0 3 282.796 2.021 20 30 CEEDHN Cc1cc(CNCCNC(=O)C#CC(C)(C)C)cs1 ZINC001126915766 806794432 /nfs/dbraw/zinc/79/44/32/806794432.db2.gz IKJQQJVWEDCVKX-UHFFFAOYSA-N 0 3 278.421 2.312 20 30 CEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3occc3CC)[C@@H]2C1 ZINC001076212662 806824238 /nfs/dbraw/zinc/82/42/38/806824238.db2.gz RHFCIKOSOSECRP-LSDHHAIUSA-N 0 3 286.375 2.012 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)c3ccc(C)o3)[C@@H]2C1 ZINC001076336072 806839026 /nfs/dbraw/zinc/83/90/26/806839026.db2.gz JBFNBDXGYCPQFX-QLFBSQMISA-N 0 3 288.391 2.410 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CC34CCCC4)[C@@H]2C1 ZINC001076431096 806848913 /nfs/dbraw/zinc/84/89/13/806848913.db2.gz IUGNWYDLWRDICU-SOUVJXGZSA-N 0 3 274.408 2.285 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C3(C)CC(=C)C3)C2)C1 ZINC001040379626 806898047 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C=CCCN1CC[C@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001038325750 803595337 /nfs/dbraw/zinc/59/53/37/803595337.db2.gz ZUPKWJKQOCBKKH-RYUDHWBXSA-N 0 3 272.339 2.188 20 30 CEEDHN C[C@@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000694922507 803596663 /nfs/dbraw/zinc/59/66/63/803596663.db2.gz JDYULWWSFZKZFN-WWGRRREGSA-N 0 3 274.364 2.091 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001267630051 803631498 /nfs/dbraw/zinc/63/14/98/803631498.db2.gz WXRZFZAHGZBHRT-NEPJUHHUSA-N 0 3 290.329 2.179 20 30 CEEDHN C=CCOCCN1CCC[C@H](NC(=O)C[C@@H](C)C2CC2)C1 ZINC001267634763 803634183 /nfs/dbraw/zinc/63/41/83/803634183.db2.gz NEFIFXFGVPBZGP-ZBFHGGJFSA-N 0 3 294.439 2.206 20 30 CEEDHN Cc1cccc(C)c1CN1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001267740993 803694191 /nfs/dbraw/zinc/69/41/91/803694191.db2.gz CYWVCPVVEUQPRV-QGZVFWFLSA-N 0 3 296.414 2.407 20 30 CEEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCN(CCOC(C)C)C1 ZINC001267748283 803703799 /nfs/dbraw/zinc/70/37/99/803703799.db2.gz TYOYWWGJLNGMKT-HUUCEWRRSA-N 0 3 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C#CCN1CC[C@H](CNC(=O)c2ccccc2C2(C)CC2)C1 ZINC001028799669 805263771 /nfs/dbraw/zinc/26/37/71/805263771.db2.gz GGIFCJFSSAGXJY-OAHLLOKOSA-N 0 3 296.414 2.423 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(C3CC3)cn2)C1 ZINC001028962134 805387346 /nfs/dbraw/zinc/38/73/46/805387346.db2.gz OGGLPXXYXJDKDV-CQSZACIVSA-N 0 3 297.402 2.034 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(C)c(C)c2)C1 ZINC001028966451 805391811 /nfs/dbraw/zinc/39/18/11/805391811.db2.gz BPDBDVQHHHUSLS-MRXNPFEDSA-N 0 3 284.403 2.378 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2sccc2C2CC2)C1 ZINC001028969164 805392793 /nfs/dbraw/zinc/39/27/93/805392793.db2.gz BBAVTFSXSDLVPP-LBPRGKRZSA-N 0 3 288.416 2.310 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc3c(c2)CCC3)C1 ZINC001028977464 805398111 /nfs/dbraw/zinc/39/81/11/805398111.db2.gz GTVWFMIEWQNRTG-HNNXBMFYSA-N 0 3 296.414 2.250 20 30 CEEDHN C#CCCN1CCC(N(CC#C)C(=O)c2cc(C)co2)CC1 ZINC001270338971 805405337 /nfs/dbraw/zinc/40/53/37/805405337.db2.gz XPZZIWPTBFWPLC-UHFFFAOYSA-N 0 3 298.386 2.151 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)C2CC(c3ccccc3)C2)C1 ZINC001029015403 805437411 /nfs/dbraw/zinc/43/74/11/805437411.db2.gz YVIYHYZRMPSNNU-ZLPCBKJTSA-N 0 3 296.414 2.252 20 30 CEEDHN C=C1CC(C(=O)N2CC3(C2)CN(C2CCCC2)C3)C1 ZINC001270591801 805477687 /nfs/dbraw/zinc/47/76/87/805477687.db2.gz KELXEGFCFUXQCH-UHFFFAOYSA-N 0 3 260.381 2.039 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H](F)c2ccccc2)C1 ZINC001270631248 805501056 /nfs/dbraw/zinc/50/10/56/805501056.db2.gz BBOSDCMGEALETL-WBVHZDCISA-N 0 3 288.366 2.301 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001030027467 807006115 /nfs/dbraw/zinc/00/61/15/807006115.db2.gz LDOMYYWDBIWPFJ-BFYDXBDKSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN1CC[C@@]2(CNC(=O)c3occc3C)CCC[C@@H]12 ZINC001094359397 815095146 /nfs/dbraw/zinc/09/51/46/815095146.db2.gz IWSRXNCWWYBVMY-RHSMWYFYSA-N 0 3 286.375 2.196 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@H]1C ZINC001088845646 807203671 /nfs/dbraw/zinc/20/36/71/807203671.db2.gz 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C#CCCN1CC(CNC(=O)c2ccc(C)nc2C(C)C)C1 ZINC001031881648 808184537 /nfs/dbraw/zinc/18/45/37/808184537.db2.gz RQNFQXWAUGZITA-UHFFFAOYSA-N 0 3 299.418 2.198 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001015858991 808226756 /nfs/dbraw/zinc/22/67/56/808226756.db2.gz YWQPFEFMKZTGAX-ZFWWWQNUSA-N 0 3 288.391 2.214 20 30 CEEDHN CCCN1CCN(Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237533431 808228592 /nfs/dbraw/zinc/22/85/92/808228592.db2.gz JEUXSKFUCXDHSR-UHFFFAOYSA-N 0 3 279.334 2.364 20 30 CEEDHN C#CCCN1CC(CNC(=O)[C@@H]2CCCC[C@@H]2CC)C1 ZINC001032090090 808277279 /nfs/dbraw/zinc/27/72/79/808277279.db2.gz PVTKGUQBIDPNHK-JKSUJKDBSA-N 0 3 276.424 2.274 20 30 CEEDHN CC(C)(C)C#CCN[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171694755 815222200 /nfs/dbraw/zinc/22/22/00/815222200.db2.gz RAYHYIIKXRROLA-GFCCVEGCSA-N 0 3 294.395 2.162 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC1(C)C ZINC001032577381 808710735 /nfs/dbraw/zinc/71/07/35/808710735.db2.gz GXJNCSKMGXODQX-IHRRRGAJSA-N 0 3 262.397 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C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001033692445 809381722 /nfs/dbraw/zinc/38/17/22/809381722.db2.gz WKBDGNLNFDOLHG-SJJHQCBESA-N 0 3 288.435 2.369 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc[nH]2)C1 ZINC001033746509 809402047 /nfs/dbraw/zinc/40/20/47/809402047.db2.gz CIRKMPXKDRNZBM-CYBMUJFWSA-N 0 3 261.369 2.127 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2csnc2C)C1 ZINC001033800939 809418017 /nfs/dbraw/zinc/41/80/17/809418017.db2.gz CICIWWCCTDKYAY-CYBMUJFWSA-N 0 3 291.420 2.011 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(F)c[nH]2)C1 ZINC001033900187 809446928 /nfs/dbraw/zinc/44/69/28/809446928.db2.gz OQYDAWHDNVVFQT-ZDUSSCGKSA-N 0 3 279.359 2.266 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2csc(C)n2)C1 ZINC001033935834 809458501 /nfs/dbraw/zinc/45/85/01/809458501.db2.gz IOUYFZBZXXJNNT-ZDUSSCGKSA-N 0 3 291.420 2.011 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2[nH]cnc2CC)C1 ZINC001034028237 809482512 /nfs/dbraw/zinc/48/25/12/809482512.db2.gz DEBMSYOIRZKNTI-ZDUSSCGKSA-N 0 3 290.411 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20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)Cc2cncs2)C1 ZINC001034255714 809563603 /nfs/dbraw/zinc/56/36/03/809563603.db2.gz FOTXPXUENQPCFS-CYBMUJFWSA-N 0 3 293.436 2.232 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2c[nH]nc2CC)C1 ZINC001034283679 809570250 /nfs/dbraw/zinc/57/02/50/809570250.db2.gz UXWPZFWZXVKDCF-CYBMUJFWSA-N 0 3 290.411 2.133 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001038557274 809597057 /nfs/dbraw/zinc/59/70/57/809597057.db2.gz UWDXNTNEWRDEFX-AWEZNQCLSA-N 0 3 290.411 2.234 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cnn3ccccc23)C1 ZINC001034446649 809607321 /nfs/dbraw/zinc/60/73/21/809607321.db2.gz VVVSHGLJBYHTQG-CQSZACIVSA-N 0 3 298.390 2.105 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CC=CCC1)CC2 ZINC001035648703 809796782 /nfs/dbraw/zinc/79/67/82/809796782.db2.gz COBHPXPNEMYEHR-INIZCTEOSA-N 0 3 286.419 2.290 20 30 CEEDHN C=CCCN1CC2(C1)CCN(C(=O)C(=O)C(C)(C)C)CC2 ZINC001035670822 809804118 /nfs/dbraw/zinc/80/41/18/809804118.db2.gz AEJGHMKVANHXIG-UHFFFAOYSA-N 0 3 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ZINC001016134726 810401928 /nfs/dbraw/zinc/40/19/28/810401928.db2.gz ASLBKBWLROBRSN-CQSZACIVSA-N 0 3 290.432 2.121 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001016214995 810414004 /nfs/dbraw/zinc/41/40/04/810414004.db2.gz XZAZTPQSYCEJIM-AWEZNQCLSA-N 0 3 275.396 2.022 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(C)cc(Cl)c1 ZINC000381412196 810420408 /nfs/dbraw/zinc/42/04/08/810420408.db2.gz QKYWTPFNLVGVLW-UHFFFAOYSA-N 0 3 278.783 2.333 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(C)s2)C1 ZINC001016333884 810425316 /nfs/dbraw/zinc/42/53/16/810425316.db2.gz NKVCRSXIKLZTTR-ZDUSSCGKSA-N 0 3 278.421 2.366 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3c(C)noc3C)[C@@H]2C1 ZINC001084180988 810442488 /nfs/dbraw/zinc/44/24/88/810442488.db2.gz WRSXJMXHHFCPIB-ZIAGYGMSSA-N 0 3 289.379 2.014 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C[C@H]2C=CCC2)CC1 ZINC001016501281 810446537 /nfs/dbraw/zinc/44/65/37/810446537.db2.gz ZCWNVAJZDZYGOO-JKSUJKDBSA-N 0 3 286.419 2.337 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3csnc3C)[C@@H]2C1 ZINC001084288882 810452440 /nfs/dbraw/zinc/45/24/40/810452440.db2.gz FUGXAHNEGSGJQF-TZMCWYRMSA-N 0 3 291.420 2.174 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C2CC(C)C2)CC1 ZINC001016565868 810452994 /nfs/dbraw/zinc/45/29/94/810452994.db2.gz DSLFGONOKWSGBM-YMAMQOFZSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H](C)C2CCC2)CC1 ZINC001016686570 810460928 /nfs/dbraw/zinc/46/09/28/810460928.db2.gz ATAWBCAOUZGARC-DZGCQCFKSA-N 0 3 274.408 2.027 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)CC1CCCC1 ZINC000114618078 810463161 /nfs/dbraw/zinc/46/31/61/810463161.db2.gz AQGUWLCIVSHLAR-DGCLKSJQSA-N 0 3 262.353 2.214 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001016776800 810467574 /nfs/dbraw/zinc/46/75/74/810467574.db2.gz HHYHZZXRMOEEQC-LSDHHAIUSA-N 0 3 288.435 2.417 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2CCC2(C)C)CC1 ZINC001016783472 810468307 /nfs/dbraw/zinc/46/83/07/810468307.db2.gz LOLJYGSETWZGJD-CABCVRRESA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC34CC4)[C@@H]2C1 ZINC001084447286 810468560 /nfs/dbraw/zinc/46/85/60/810468560.db2.gz HIXOVBUNGZHHEA-OWCLPIDISA-N 0 3 286.419 2.123 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C(C)(C)C2CC2)CC1 ZINC001016783018 810468786 /nfs/dbraw/zinc/46/87/86/810468786.db2.gz GMWJMDYVGLTADW-AWEZNQCLSA-N 0 3 274.408 2.027 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN([C@@H](C)COC)C[C@H]21 ZINC001084574099 810478339 /nfs/dbraw/zinc/47/83/39/810478339.db2.gz QHOPMWMVMCBLSW-RRFJBIMHSA-N 0 3 294.439 2.156 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCc3ccccn3)[C@@H]2C1 ZINC001084572608 810479252 /nfs/dbraw/zinc/47/92/52/810479252.db2.gz QABFERKQMRKZGA-NVXWUHKLSA-N 0 3 299.418 2.123 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cccn2C(C)C)CC1 ZINC001016974373 810480274 /nfs/dbraw/zinc/48/02/74/810480274.db2.gz JQZIEPQSPUDTBP-INIZCTEOSA-N 0 3 299.418 2.287 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CCN(CC)C[C@H]21 ZINC001084634956 810491225 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C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]1OC ZINC001017677248 810541667 /nfs/dbraw/zinc/54/16/67/810541667.db2.gz QYDCSKWYECKQGV-QKPAOTATSA-N 0 3 292.423 2.053 20 30 CEEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@@H]3C=CCCC3)C[C@@H]21 ZINC001084969642 810553699 /nfs/dbraw/zinc/55/36/99/810553699.db2.gz RKCJBWLPPXHBQW-ZACQAIPSSA-N 0 3 286.419 2.289 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)c1cccnc1 ZINC001122029099 815379509 /nfs/dbraw/zinc/37/95/09/815379509.db2.gz ZOKICBSFDFQQPB-GXTWGEPZSA-N 0 3 261.369 2.285 20 30 CEEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@@H]3CC=CCC3)C[C@@H]21 ZINC001085007631 810564741 /nfs/dbraw/zinc/56/47/41/810564741.db2.gz SIZVBHSFOBAQQB-ZACQAIPSSA-N 0 3 286.419 2.289 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)C(C)(F)F)C[C@@H]21 ZINC001085035018 810569944 /nfs/dbraw/zinc/56/99/44/810569944.db2.gz BWEAXVKEKSWHFJ-MCIONIFRSA-N 0 3 298.377 2.224 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC ZINC001017973735 810577996 /nfs/dbraw/zinc/57/79/96/810577996.db2.gz VOLILOCUAAIBGP-APIJFGDWSA-N 0 3 262.397 2.284 20 30 CEEDHN CCCCCCCC(=O)Nc1nn(C)c(C)c1CN ZINC000822103782 810578884 /nfs/dbraw/zinc/57/88/84/810578884.db2.gz IVWSLQLYOMFBBB-UHFFFAOYSA-N 0 3 266.389 2.486 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H](OC2CCC2)C1 ZINC001122054042 815381299 /nfs/dbraw/zinc/38/12/99/815381299.db2.gz MTAOBPXJGNXRFZ-GJZGRUSLSA-N 0 3 280.412 2.230 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@H](C(N)=O)c1ccccc1 ZINC001172294302 815384827 /nfs/dbraw/zinc/38/48/27/815384827.db2.gz HPHROXXKUNDIML-DYVFJYSZSA-N 0 3 293.370 2.305 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC001018856706 810661402 /nfs/dbraw/zinc/66/14/02/810661402.db2.gz JUOHDAODJXFUNC-NSHDSACASA-N 0 3 296.292 2.201 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cccc(Cl)c2C)C1 ZINC001018895010 810662794 /nfs/dbraw/zinc/66/27/94/810662794.db2.gz CXTZEWHCDSXMGX-LBPRGKRZSA-N 0 3 276.767 2.086 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2coc3c2cccc3C)C1 ZINC001018972857 810668447 /nfs/dbraw/zinc/66/84/47/810668447.db2.gz SWSZCAMQAUHTQM-ZDUSSCGKSA-N 0 3 282.343 2.179 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(C)cc2Cl)C1 ZINC001019418478 810707799 /nfs/dbraw/zinc/70/77/99/810707799.db2.gz JDWPQZFROVQCKN-LBPRGKRZSA-N 0 3 276.767 2.086 20 30 CEEDHN C[C@@H]1CC[C@H](N2CCN(c3nccnc3C#N)CC2)C[C@H]1C ZINC001172375565 815390471 /nfs/dbraw/zinc/39/04/71/815390471.db2.gz DBLPVGPGSDBJOI-KFWWJZLASA-N 0 3 299.422 2.295 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001019438150 810710205 /nfs/dbraw/zinc/71/02/05/810710205.db2.gz GSOBHIIOOPNIEW-KRWDZBQOSA-N 0 3 298.430 2.350 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc(Cl)ccc2C)C1 ZINC001019532734 810718995 /nfs/dbraw/zinc/71/89/95/810718995.db2.gz FRGCLGKANLEUJG-ZDUSSCGKSA-N 0 3 276.767 2.086 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2coc3ccc(F)cc23)C1 ZINC001019707399 810732149 /nfs/dbraw/zinc/73/21/49/810732149.db2.gz CEBYZOIPFJUUPY-LBPRGKRZSA-N 0 3 286.306 2.009 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(C)n1 ZINC001085487098 810784404 /nfs/dbraw/zinc/78/44/04/810784404.db2.gz PXYYDNIQIJPJOF-CQSZACIVSA-N 0 3 273.380 2.112 20 30 CEEDHN CC(C)(C)SCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000119842109 810788451 /nfs/dbraw/zinc/78/84/51/810788451.db2.gz INNAXXPSSKUGAX-LLVKDONJSA-N 0 3 282.409 2.286 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnccc1C ZINC001085527551 810806805 /nfs/dbraw/zinc/80/68/05/810806805.db2.gz CNKGRPTZLQTIDC-CQSZACIVSA-N 0 3 273.380 2.112 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ncoc1CC ZINC001085525288 810807207 /nfs/dbraw/zinc/80/72/07/810807207.db2.gz FTDPSLMYCFVSSP-CYBMUJFWSA-N 0 3 291.395 2.350 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1CCC(=C)C ZINC001038265731 810814652 /nfs/dbraw/zinc/81/46/52/810814652.db2.gz GUUNLUSXWDQEFC-OAGGEKHMSA-N 0 3 292.423 2.124 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1[nH]ccc1C ZINC001085574786 810835956 /nfs/dbraw/zinc/83/59/56/810835956.db2.gz HMNJOMCWMJQBQR-AWEZNQCLSA-N 0 3 275.396 2.436 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001038408919 810837190 /nfs/dbraw/zinc/83/71/90/810837190.db2.gz KFKAALNQUWPRSA-UONOGXRCSA-N 0 3 262.397 2.333 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001038723003 810898681 /nfs/dbraw/zinc/89/86/81/810898681.db2.gz VFXDQAQQWRGSOB-MGPQQGTHSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccc(OCC)c1 ZINC001038746776 810905218 /nfs/dbraw/zinc/90/52/18/810905218.db2.gz BIRAHOXNMSGKSY-HNNXBMFYSA-N 0 3 288.391 2.466 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1oncc1C ZINC001085904450 810963982 /nfs/dbraw/zinc/96/39/82/810963982.db2.gz FENVQAPBFJBRGC-ZDUSSCGKSA-N 0 3 277.368 2.096 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001085920559 810969808 /nfs/dbraw/zinc/96/98/08/810969808.db2.gz FPMHJEFDCREFGL-AWEZNQCLSA-N 0 3 287.407 2.226 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c[nH]c2cccnc12 ZINC001085925347 810971167 /nfs/dbraw/zinc/97/11/67/810971167.db2.gz UGZQJGHAIYCDRR-CYBMUJFWSA-N 0 3 298.390 2.285 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1c[nH]cc1C ZINC001085971333 810988110 /nfs/dbraw/zinc/98/81/10/810988110.db2.gz YASKHAIBJQLRFP-CQSZACIVSA-N 0 3 275.396 2.436 20 30 CEEDHN CC#CCN1CC[C@H]([C@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001039178012 810995780 /nfs/dbraw/zinc/99/57/80/810995780.db2.gz KPCKUWFZQOORGP-LSDHHAIUSA-N 0 3 294.414 2.461 20 30 CEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CC(C)(F)F)C1 ZINC001039231566 811000534 /nfs/dbraw/zinc/00/05/34/811000534.db2.gz SCJQPBOWLOWHNF-KGLIPLIRSA-N 0 3 298.377 2.368 20 30 CEEDHN C[C@H](C#N)CN[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724068584 811034670 /nfs/dbraw/zinc/03/46/70/811034670.db2.gz MBWHJNHEDRUVMZ-JHJVBQTASA-N 0 3 281.400 2.429 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccnc(C)c2)C1 ZINC001086228270 811067148 /nfs/dbraw/zinc/06/71/48/811067148.db2.gz DZGFKOGXDUZAES-XBXGTLAGSA-N 0 3 293.798 2.241 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ncccc2F)C1 ZINC001086233097 811069782 /nfs/dbraw/zinc/06/97/82/811069782.db2.gz 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C#CCN1CC[C@]2(CCN(C(=O)c3ccc(CC)cc3)C2)C1 ZINC001041812927 811195391 /nfs/dbraw/zinc/19/53/91/811195391.db2.gz PXJIIAWIVUAONO-IBGZPJMESA-N 0 3 296.414 2.420 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)/C=C/c3ccco3)C[C@@H]21 ZINC001041910027 811213102 /nfs/dbraw/zinc/21/31/02/811213102.db2.gz LTUGPIQVMTWOJJ-TYGQBZDHSA-N 0 3 298.386 2.239 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3=CCCC3)C[C@H]21 ZINC001042012932 811231821 /nfs/dbraw/zinc/23/18/21/811231821.db2.gz KUCSQSKUUNLLTP-GDBMZVCRSA-N 0 3 272.392 2.043 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccncc3C)C[C@@H]21 ZINC001042041634 811236951 /nfs/dbraw/zinc/23/69/51/811236951.db2.gz SXQDXGFTIRCVEI-ZBFHGGJFSA-N 0 3 285.391 2.112 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3CC(C)(C)C3)C[C@@H]21 ZINC001042049630 811240112 /nfs/dbraw/zinc/24/01/12/811240112.db2.gz KDHNCIXEEPELBM-ZBFHGGJFSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)C(C)(C)C=C)C[C@H]21 ZINC001042182973 811250437 /nfs/dbraw/zinc/25/04/37/811250437.db2.gz 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ZINC001052159808 812938413 /nfs/dbraw/zinc/93/84/13/812938413.db2.gz FIFUTEIRMGRJQE-HNNXBMFYSA-N 0 3 274.339 2.043 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)c2cccc(F)c2)CC1 ZINC001052169879 812940070 /nfs/dbraw/zinc/94/00/70/812940070.db2.gz ADZYHZDRRIDPNX-MRXNPFEDSA-N 0 3 288.366 2.433 20 30 CEEDHN C=C(CC)C(=O)N(C)CCCN(C)Cc1ccncc1 ZINC001123880026 815568181 /nfs/dbraw/zinc/56/81/81/815568181.db2.gz MFFWPYKPECKRPF-UHFFFAOYSA-N 0 3 275.396 2.328 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc(C)cs2)CC1 ZINC001052366563 812982783 /nfs/dbraw/zinc/98/27/83/812982783.db2.gz ZVYYZSCUSXCOAI-CYBMUJFWSA-N 0 3 276.405 2.274 20 30 CEEDHN C=CCCCC(=O)NCCNCc1ccc(OC)c(F)c1 ZINC001133154440 812998943 /nfs/dbraw/zinc/99/89/43/812998943.db2.gz KAFBXCCTDCLHSI-UHFFFAOYSA-N 0 3 294.370 2.396 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)CC2CC(F)(F)C2)CC1 ZINC001052502976 813001662 /nfs/dbraw/zinc/00/16/62/813001662.db2.gz PSQLINDNEQFTOE-ZDUSSCGKSA-N 0 3 284.350 2.026 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2cccc(C(C)C)n2)CC1 ZINC001052532508 813004418 /nfs/dbraw/zinc/00/44/18/813004418.db2.gz HRVKEWKDJLPXJL-OAHLLOKOSA-N 0 3 299.418 2.423 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)c2c(C)cncc2C)CC1 ZINC001052559779 813006296 /nfs/dbraw/zinc/00/62/96/813006296.db2.gz IGYZVFFZPAIDRL-INIZCTEOSA-N 0 3 299.418 2.306 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc3ncccc3o2)CC1 ZINC001052568833 813007216 /nfs/dbraw/zinc/00/72/16/813007216.db2.gz RYBUTHCDTDMYNQ-CYBMUJFWSA-N 0 3 297.358 2.045 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCCC2(F)F)CC1 ZINC001052591294 813008117 /nfs/dbraw/zinc/00/81/17/813008117.db2.gz OGKKEKNOHWKVQK-KGLIPLIRSA-N 0 3 298.377 2.416 20 30 CEEDHN C=C1CCC(C(=O)NCCNC/C=C/Cl)CC1 ZINC001133375774 813036184 /nfs/dbraw/zinc/03/61/84/813036184.db2.gz IQGDTQVULZUBRG-FARCUNLSSA-N 0 3 256.777 2.191 20 30 CEEDHN CC(C)C1(C(=O)NCCNCc2cccc(C#N)c2)CC1 ZINC001133556805 813107420 /nfs/dbraw/zinc/10/74/20/813107420.db2.gz LCNQOORRAMXSFK-UHFFFAOYSA-N 0 3 285.391 2.200 20 30 CEEDHN C#C[C@@](C)(CC)NC[C@H](O)c1cc(F)ccc1F ZINC000384207955 813116509 /nfs/dbraw/zinc/11/65/09/813116509.db2.gz NXVFGEMAKDKEJD-KBPBESRZSA-N 0 3 253.292 2.390 20 30 CEEDHN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1cc(C)n(C)n1 ZINC001133888795 813171221 /nfs/dbraw/zinc/17/12/21/813171221.db2.gz MSMRUABTDXVDKA-QWHCGFSZSA-N 0 3 292.427 2.068 20 30 CEEDHN CC#CCNCCNC(=O)C[C@@H](C)CCC=C(C)C ZINC001134190221 813227441 /nfs/dbraw/zinc/22/74/41/813227441.db2.gz OYYWSMOQWVUMIR-HNNXBMFYSA-N 0 3 264.413 2.488 20 30 CEEDHN C#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1nccs1 ZINC001134200521 813232582 /nfs/dbraw/zinc/23/25/82/813232582.db2.gz GCZCCXOPFUZTBF-QWHCGFSZSA-N 0 3 293.436 2.320 20 30 CEEDHN C#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1cc(C)no1 ZINC001134201686 813232865 /nfs/dbraw/zinc/23/28/65/813232865.db2.gz SEPBCAIDWKMRRN-QWHCGFSZSA-N 0 3 291.395 2.159 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1F)C2 ZINC001098102475 813259464 /nfs/dbraw/zinc/25/94/64/813259464.db2.gz VQDRHXQKFMVYRT-BNOWGMLFSA-N 0 3 289.354 2.132 20 30 CEEDHN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccn(C)n1 ZINC001134471142 813278943 /nfs/dbraw/zinc/27/89/43/813278943.db2.gz VCRRFFFLKGPBJL-KGLIPLIRSA-N 0 3 292.427 2.149 20 30 CEEDHN CC(C)[C@@H](C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001134655828 813306575 /nfs/dbraw/zinc/30/65/75/813306575.db2.gz OJFOOWIQGFZKLK-LLVKDONJSA-N 0 3 279.409 2.118 20 30 CEEDHN C[C@@H]1CC[C@H](C(=O)NCCNCc2ccc(C#N)cc2)C1 ZINC001134740844 813318687 /nfs/dbraw/zinc/31/86/87/813318687.db2.gz IINPTZNQLQSTQT-CJNGLKHVSA-N 0 3 285.391 2.200 20 30 CEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CC(C)C)C[C@@H](C)O2 ZINC001071131456 813324989 /nfs/dbraw/zinc/32/49/89/813324989.db2.gz GYJPGSACGKREAC-NVXWUHKLSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[C@@H]1C ZINC001071427564 813403956 /nfs/dbraw/zinc/40/39/56/813403956.db2.gz NDGXIUOGVHIBAA-JSGCOSHPSA-N 0 3 286.379 2.045 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(F)cn2)CC[C@@H]1C ZINC001071448558 813409436 /nfs/dbraw/zinc/40/94/36/813409436.db2.gz 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/nfs/dbraw/zinc/65/53/89/813655389.db2.gz HIAMSCWGDOCSBT-UHFFFAOYSA-N 0 3 282.815 2.485 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3[nH]ccc3C3CC3)C2)C1 ZINC001072806811 813661827 /nfs/dbraw/zinc/66/18/27/813661827.db2.gz BHKIJZNDQNOSAG-UHFFFAOYSA-N 0 3 285.391 2.226 20 30 CEEDHN C#CCOc1ccccc1CNCCOC(F)(F)F ZINC000398211872 813662235 /nfs/dbraw/zinc/66/22/35/813662235.db2.gz VERHCJQYAYZSQH-UHFFFAOYSA-N 0 3 273.254 2.325 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3C[C@]3(C)C(C)C)C2)C1 ZINC001073094275 813726469 /nfs/dbraw/zinc/72/64/69/813726469.db2.gz NVOKXLFHDVKASD-GDBMZVCRSA-N 0 3 276.424 2.389 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@@H](C)n3cccc3)C2)C1 ZINC001073136076 813728999 /nfs/dbraw/zinc/72/89/99/813728999.db2.gz YXMRMJASOYAFPS-OAHLLOKOSA-N 0 3 287.407 2.160 20 30 CEEDHN CC(C)(C)SCCNC(=O)[C@@H](N)CCCCC#N ZINC000691545923 813743206 /nfs/dbraw/zinc/74/32/06/813743206.db2.gz UTXHAEQNRXPRCL-NSHDSACASA-N 0 3 271.430 2.046 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001073593690 813764248 /nfs/dbraw/zinc/76/42/48/813764248.db2.gz WHIJSQSBPMKZLX-HNNXBMFYSA-N 0 3 294.439 2.206 20 30 CEEDHN N#Cc1cncc(CN2CCC3(CCCO3)CC2)c1 ZINC001144079565 813949662 /nfs/dbraw/zinc/94/96/62/813949662.db2.gz UDVITYHYQNTBQZ-UHFFFAOYSA-N 0 3 257.337 2.098 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2csnc2C)C1 ZINC001090989661 813961909 /nfs/dbraw/zinc/96/19/09/813961909.db2.gz OTAMRWYFDRQGHC-UHFFFAOYSA-N 0 3 299.827 2.302 20 30 CEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001098984411 813971577 /nfs/dbraw/zinc/97/15/77/813971577.db2.gz WMXLNENVIANVHG-UONOGXRCSA-N 0 3 277.412 2.329 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001099114436 813988062 /nfs/dbraw/zinc/98/80/62/813988062.db2.gz UIXFDSADDKPGRS-KSSFIOAISA-N 0 3 299.418 2.274 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)C(F)=C(C)C)C[C@H]1C(F)(F)F ZINC001099237642 813997344 /nfs/dbraw/zinc/99/73/44/813997344.db2.gz FYFHSEIZVBTJFA-NXEZZACHSA-N 0 3 294.292 2.415 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)C(C)(C)C=C)C[C@H]1C(F)(F)F ZINC001099290418 813999017 /nfs/dbraw/zinc/99/90/17/813999017.db2.gz UFOCBQMQMPQPIH-GHMZBOCLSA-N 0 3 290.329 2.364 20 30 CEEDHN C=C(Cc1ccccc1)C(=O)N1C[C@H]2[C@H](C1)CCCN2C ZINC001144395382 814053098 /nfs/dbraw/zinc/05/30/98/814053098.db2.gz CSJZFTBLDJWYND-IRXDYDNUSA-N 0 3 284.403 2.338 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cccnn1 ZINC001171181781 814065157 /nfs/dbraw/zinc/06/51/57/814065157.db2.gz POAQDXYJXZHGJF-GFCCVEGCSA-N 0 3 252.321 2.069 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)CO[C@@H](C)CC)C1 ZINC001100251435 814084406 /nfs/dbraw/zinc/08/44/06/814084406.db2.gz QUGDBPVJOHZPAW-HIFPTAJRSA-N 0 3 288.819 2.038 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2ccoc2)C1 ZINC001100271744 814089302 /nfs/dbraw/zinc/08/93/02/814089302.db2.gz MIDPCMOCCSEZMM-UHFFFAOYSA-N 0 3 282.771 2.059 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@@]3(CCCC(=O)N3)C2)cc1 ZINC001144571825 814119244 /nfs/dbraw/zinc/11/92/44/814119244.db2.gz JTJRFZIKYDLPNB-SFHVURJKSA-N 0 3 282.387 2.303 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)C2CC3(CC3)C2)C1 ZINC001091224867 814191972 /nfs/dbraw/zinc/19/19/72/814191972.db2.gz JCEXWUDHRAHJFH-UHFFFAOYSA-N 0 3 282.815 2.414 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)CC(F)F)C[C@]2(C)C1 ZINC001101303428 814245386 /nfs/dbraw/zinc/24/53/86/814245386.db2.gz KVLOEQGHWRBXNF-ZENOOKHLSA-N 0 3 298.377 2.081 20 30 CEEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CN(CCF)C[C@H]1C ZINC001102410372 814384308 /nfs/dbraw/zinc/38/43/08/814384308.db2.gz ZOJIMBHBAUFCRQ-CHWSQXEVSA-N 0 3 270.392 2.242 20 30 CEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CC)C1 ZINC001102626775 814400880 /nfs/dbraw/zinc/40/08/80/814400880.db2.gz VCYLPKSFKXXOPE-ZYHUDNBSSA-N 0 3 258.793 2.223 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C3=CCCCCC3)C[C@]2(C)C1 ZINC001091622346 814404436 /nfs/dbraw/zinc/40/44/36/814404436.db2.gz QMPYVQCXKQOICF-AEFFLSMTSA-N 0 3 286.419 2.290 20 30 CEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CC)C[C@H]1C ZINC001103795695 814521911 /nfs/dbraw/zinc/52/19/11/814521911.db2.gz RHWUUOZBQSVGCI-ZYHUDNBSSA-N 0 3 258.793 2.223 20 30 CEEDHN Cc1ccccc1[C@@H](CO)NC[C@H](O)c1ccc(C#N)cc1 ZINC000782084402 814615236 /nfs/dbraw/zinc/61/52/36/814615236.db2.gz XDFZECPRVRSBGY-MSOLQXFVSA-N 0 3 296.370 2.223 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3csc(C)c3)C[C@]2(C)C1 ZINC001092099564 814689467 /nfs/dbraw/zinc/68/94/67/814689467.db2.gz XXLPPEOVCUZJDL-ZBFHGGJFSA-N 0 3 288.416 2.084 20 30 CEEDHN C=CCO[C@@H]1CCN(Cc2cnn3ccccc23)C1 ZINC001116554892 814864241 /nfs/dbraw/zinc/86/42/41/814864241.db2.gz IXHWKYZCOVLRDT-CQSZACIVSA-N 0 3 257.337 2.111 20 30 CEEDHN C=CCOC1CCC(N2CCc3c(cnn3C)C2)CC1 ZINC001173322509 815674722 /nfs/dbraw/zinc/67/47/22/815674722.db2.gz FRLKKEOQNQMKPB-UHFFFAOYSA-N 0 3 275.396 2.292 20 30 CEEDHN COC(=O)[C@]1(F)CCN(C2CCC(CC#N)CC2)C1 ZINC001173331524 815679113 /nfs/dbraw/zinc/67/91/13/815679113.db2.gz PGRAXYDWYJNGAK-YIZWMMSDSA-N 0 3 268.332 2.046 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)C(C)(C)C)[C@@H](O)C1 ZINC001099943324 815748871 /nfs/dbraw/zinc/74/88/71/815748871.db2.gz BNJZMGJJIXARDS-KGLIPLIRSA-N 0 3 296.455 2.186 20 30 CEEDHN C#CCN(C)Cc1c[nH]c2cc(C(=O)OC)ccc12 ZINC001138266046 815757847 /nfs/dbraw/zinc/75/78/47/815757847.db2.gz DLIANZMQJHYNCI-UHFFFAOYSA-N 0 3 256.305 2.020 20 30 CEEDHN C#CCOc1ccc(CN2C[C@H]3[C@H](CF)[C@H]3C2)cc1OC ZINC001138349371 815773175 /nfs/dbraw/zinc/77/31/75/815773175.db2.gz WGQUALMZDXSURU-QKDCVEJESA-N 0 3 289.350 2.355 20 30 CEEDHN C#CCOc1ccc(CN2CC[C@H](O)C[C@@H]2C)cc1OC ZINC001138349190 815773834 /nfs/dbraw/zinc/77/38/34/815773834.db2.gz UYWPWBTWEJUISN-ZFWWWQNUSA-N 0 3 289.375 2.052 20 30 CEEDHN C#CCCN1CCCO[C@@H](CNC(=O)C(C)(C)CCC)C1 ZINC001150240576 815787561 /nfs/dbraw/zinc/78/75/61/815787561.db2.gz GVFOZJSLXQUADI-HNNXBMFYSA-N 0 3 294.439 2.043 20 30 CEEDHN C=CCOc1ccccc1CN(C)CCC1OCCO1 ZINC001139030781 815947678 /nfs/dbraw/zinc/94/76/78/815947678.db2.gz UFFIBCPVBGHMHV-UHFFFAOYSA-N 0 3 277.364 2.446 20 30 CEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C#CC2CC2)C12CCC2 ZINC001202889043 815951450 /nfs/dbraw/zinc/95/14/50/815951450.db2.gz VNZYNYCFRASSQG-KGLIPLIRSA-N 0 3 292.810 2.169 20 30 CEEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139093362 815957312 /nfs/dbraw/zinc/95/73/12/815957312.db2.gz QRRCGSMYCACATL-XMQYKBBCSA-N 0 3 294.362 2.133 20 30 CEEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139093362 815957316 /nfs/dbraw/zinc/95/73/16/815957316.db2.gz QRRCGSMYCACATL-XMQYKBBCSA-N 0 3 294.362 2.133 20 30 CEEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139093362 815957321 /nfs/dbraw/zinc/95/73/21/815957321.db2.gz QRRCGSMYCACATL-XMQYKBBCSA-N 0 3 294.362 2.133 20 30 CEEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139093362 815957324 /nfs/dbraw/zinc/95/73/24/815957324.db2.gz QRRCGSMYCACATL-XMQYKBBCSA-N 0 3 294.362 2.133 20 30 CEEDHN CC(=O)N1CCC[C@H](N(C)Cc2ccc(C)c(C#N)c2)C1 ZINC001139727790 816097277 /nfs/dbraw/zinc/09/72/77/816097277.db2.gz YNFCPWWDEGGKDW-KRWDZBQOSA-N 0 3 285.391 2.309 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)c1ccc2cccnc2n1 ZINC001139869231 816131614 /nfs/dbraw/zinc/13/16/14/816131614.db2.gz BNLOOGBQTAOQSO-UHFFFAOYSA-N 0 3 298.390 2.210 20 30 CEEDHN CCN1CCCN(Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141109232 816475485 /nfs/dbraw/zinc/47/54/85/816475485.db2.gz NYLBKVJEPJTXGI-UHFFFAOYSA-N 0 3 298.843 2.383 20 30 CEEDHN C=CCNCc1ccc(CN(C)C)c2c1OC(F)(F)O2 ZINC001177149121 816525598 /nfs/dbraw/zinc/52/55/98/816525598.db2.gz ZTEKMQMGRXUNJE-UHFFFAOYSA-N 0 3 284.306 2.345 20 30 CEEDHN C#C[C@H](C)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000123484048 816621429 /nfs/dbraw/zinc/62/14/29/816621429.db2.gz OPZDFWODCXQXCU-JOYOIKCWSA-N 0 3 257.255 2.350 20 30 CEEDHN CCc1nccnc1NC(=O)C(C#N)Cc1cccs1 ZINC001177904395 816640983 /nfs/dbraw/zinc/64/09/83/816640983.db2.gz PENBANUFUCLCSJ-JTQLQIEISA-N 0 3 286.360 2.421 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](c1ccccn1)C1CC1 ZINC001178247612 816703284 /nfs/dbraw/zinc/70/32/84/816703284.db2.gz VNZSWIZWMNPLHV-DOTOQJQBSA-N 0 3 299.418 2.342 20 30 CEEDHN CC(=O)N(C)[C@H]1CCN(Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142926625 816758868 /nfs/dbraw/zinc/75/88/68/816758868.db2.gz WGIGAJAFAWFXNL-HNNXBMFYSA-N 0 3 296.374 2.092 20 30 CEEDHN COC[C@@H]1CCN1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142930042 816759239 /nfs/dbraw/zinc/75/92/39/816759239.db2.gz HJLKPOAATSWUAQ-ZDUSSCGKSA-N 0 3 255.321 2.260 20 30 CEEDHN N#CCCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001143189402 816803567 /nfs/dbraw/zinc/80/35/67/816803567.db2.gz ITQFIJYCRPFVGO-UHFFFAOYSA-N 0 3 263.385 2.015 20 30 CEEDHN CC#CCCCC(=O)N1CC[C@H](NCc2ccccn2)[C@@H]1C ZINC001179359959 816857509 /nfs/dbraw/zinc/85/75/09/816857509.db2.gz JFROXXIIVHDMAI-RDJZCZTQSA-N 0 3 299.418 2.354 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](NCCF)[C@@H]1C ZINC001179384280 816860233 /nfs/dbraw/zinc/86/02/33/816860233.db2.gz ILIFDYYIHJNKCG-AVGNSLFASA-N 0 3 256.365 2.137 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NC[C@H](n2cncn2)C(F)(F)F)C1 ZINC000601295607 346814756 /nfs/dbraw/zinc/81/47/56/346814756.db2.gz YJWGUYJCBCMTKT-MXWKQRLJSA-N 0 3 287.289 2.053 20 30 CEEDHN C[C@H](NCC[C@@H](O)C(F)F)c1ccc(C#N)c(F)c1 ZINC000601297572 346815557 /nfs/dbraw/zinc/81/55/57/346815557.db2.gz ACNAFDFFDJYDBY-QPUJVOFHSA-N 0 3 272.270 2.364 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@@]2(CCOC2)C1 ZINC000121200493 365535513 /nfs/dbraw/zinc/53/55/13/365535513.db2.gz DJLJZRPRJSQSCG-MRXNPFEDSA-N 0 3 272.348 2.179 20 30 CEEDHN C#CCN(C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000298450530 260154392 /nfs/dbraw/zinc/15/43/92/260154392.db2.gz HJCKWUSKUFEVHJ-UHFFFAOYSA-N 0 3 268.719 2.373 20 30 CEEDHN CCN1CCC[C@H]1CNc1nc(C)cc(C)c1C#N ZINC000035121557 361816686 /nfs/dbraw/zinc/81/66/86/361816686.db2.gz AJYDTZOZPYGPHX-ZDUSSCGKSA-N 0 3 258.369 2.466 20 30 CEEDHN C=CCOc1ccccc1CNC1CCN(C(C)=O)CC1 ZINC000035011706 361803911 /nfs/dbraw/zinc/80/39/11/361803911.db2.gz KCBADJWETBAWJJ-UHFFFAOYSA-N 0 3 288.391 2.352 20 30 CEEDHN Cn1cc(CN2CC[C@H](C3CCOCC3)C2)cc1C#N ZINC000336530603 365605419 /nfs/dbraw/zinc/60/54/19/365605419.db2.gz MNISAVYDQSGLJM-HNNXBMFYSA-N 0 3 273.380 2.145 20 30 CEEDHN N#CC(C(=O)c1ccnc(-n2cccn2)c1)c1ccccn1 ZINC000123956465 365642718 /nfs/dbraw/zinc/64/27/18/365642718.db2.gz JCSLMVOBVAVKBE-ZDUSSCGKSA-N 0 3 289.298 2.152 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](C)CC[S@](C)=O)cc1 ZINC000125476301 365674989 /nfs/dbraw/zinc/67/49/89/365674989.db2.gz IVFAQOQHBAZLEK-ORAYPTAESA-N 0 3 281.421 2.498 20 30 CEEDHN N#CC1(C(=O)NC[C@H]2CCCCN2C2CC2)CC2(CC2)C1 ZINC000601538116 346847185 /nfs/dbraw/zinc/84/71/85/346847185.db2.gz HARDMACUUOGIJU-CQSZACIVSA-N 0 3 287.407 2.203 20 30 CEEDHN C=CCC[C@H](O)CN[C@@H](CO)c1ccc(Cl)cc1 ZINC000273112833 192046955 /nfs/dbraw/zinc/04/69/55/192046955.db2.gz OFGIXJPZBUINLK-KBPBESRZSA-N 0 3 269.772 2.290 20 30 CEEDHN CC[C@@H](C)[C@H](C)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000158824729 529413665 /nfs/dbraw/zinc/41/36/65/529413665.db2.gz UZYFELSVOYSUPX-OLZOCXBDSA-N 0 3 294.420 2.356 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000621758681 349694368 /nfs/dbraw/zinc/69/43/68/349694368.db2.gz GVKUDEOGBUCEAV-DZGCQCFKSA-N 0 3 274.364 2.011 20 30 CEEDHN C=CCC[C@H](CO)N[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000621763216 349694983 /nfs/dbraw/zinc/69/49/83/349694983.db2.gz UBEUNBHBCRITMV-GDBMZVCRSA-N 0 3 288.391 2.401 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000668599472 539209064 /nfs/dbraw/zinc/20/90/64/539209064.db2.gz UONVWBZHNDDMSJ-GOEBONIOSA-N 0 3 259.349 2.208 20 30 CEEDHN C[C@H](N[C@@H]1CNCCC1(F)F)c1ccc(C#N)cc1 ZINC000335568941 290028116 /nfs/dbraw/zinc/02/81/16/290028116.db2.gz OWHBCOZIZOXAHP-GXFFZTMASA-N 0 3 265.307 2.206 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)CC)CC1 ZINC000080682321 344019824 /nfs/dbraw/zinc/01/98/24/344019824.db2.gz LHXLBOSPUKVYGN-KGLIPLIRSA-N 0 3 264.413 2.273 20 30 CEEDHN O=C(CN1CCC[C@@H](C2CC2)C1)NC(=O)NC1CC1 ZINC000329627316 539244679 /nfs/dbraw/zinc/24/46/79/539244679.db2.gz GWZDIWUEHCMNAB-LLVKDONJSA-N 0 3 265.357 2.141 20 30 CEEDHN C=CCN(CC=C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046444203 362181982 /nfs/dbraw/zinc/18/19/82/362181982.db2.gz JYFLOCBJZAQGDX-AWEZNQCLSA-N 0 3 292.335 2.009 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2ccc(C#N)cc2)nc(C)n1 ZINC000041574220 343441587 /nfs/dbraw/zinc/44/15/87/343441587.db2.gz CQXPEFPYLXSEQD-AWEZNQCLSA-N 0 3 276.299 2.455 20 30 CEEDHN N#Cc1cccc(CN2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000044937776 343479130 /nfs/dbraw/zinc/47/91/30/343479130.db2.gz ZSSJVXYZKMRWSN-SFHVURJKSA-N 0 3 299.418 2.245 20 30 CEEDHN N#Cc1ccc(N2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)nc1 ZINC000139096625 136393008 /nfs/dbraw/zinc/39/30/08/136393008.db2.gz IVVHKKHEBWHSJD-PVAVHDDUSA-N 0 3 294.402 2.287 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)NC(C)(C)C ZINC000128533339 365794590 /nfs/dbraw/zinc/79/45/90/365794590.db2.gz CMRUMLKCTFMMAX-JTQLQIEISA-N 0 3 270.336 2.095 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C1CC1)C1CCCC1 ZINC000064808271 343693327 /nfs/dbraw/zinc/69/33/27/343693327.db2.gz XKIXRRSASIZRAX-INIZCTEOSA-N 0 3 277.412 2.448 20 30 CEEDHN Cc1n[nH]cc1CCCNCc1cccc(F)c1C#N ZINC000602007133 346956544 /nfs/dbraw/zinc/95/65/44/346956544.db2.gz VWGAGHCRCHOYRQ-UHFFFAOYSA-N 0 3 272.327 2.451 20 30 CEEDHN N#CCCCN1CCN(CCc2cccs2)CC1 ZINC000064352096 343688521 /nfs/dbraw/zinc/68/85/21/343688521.db2.gz GQFXIFXSSROUCL-UHFFFAOYSA-N 0 3 263.410 2.212 20 30 CEEDHN N#Cc1c(F)cccc1CN[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000602016712 346960724 /nfs/dbraw/zinc/96/07/24/346960724.db2.gz XTSCHOZOMMGGGY-CZUORRHYSA-N 0 3 290.338 2.125 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000066896489 343724546 /nfs/dbraw/zinc/72/45/46/343724546.db2.gz LFZFWMSVDSEPHV-AWEZNQCLSA-N 0 3 290.407 2.346 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000067859176 343746458 /nfs/dbraw/zinc/74/64/58/343746458.db2.gz LVIPYKZMFUTFHB-SJORKVTESA-N 0 3 282.387 2.004 20 30 CEEDHN CN(CC(=O)N[C@](C)(C#N)C1CC1)C1CCC(F)(F)CC1 ZINC000347601802 529837203 /nfs/dbraw/zinc/83/72/03/529837203.db2.gz PFJNDPYYNRGIOF-CQSZACIVSA-N 0 3 299.365 2.305 20 30 CEEDHN N#CCC1CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000602131237 346979863 /nfs/dbraw/zinc/97/98/63/346979863.db2.gz SSGVHKJEBUYCKT-OAHLLOKOSA-N 0 3 275.396 2.156 20 30 CEEDHN COc1ccc(CNC[C@H](OC)C(C)C)cc1C#N ZINC000072924738 343815151 /nfs/dbraw/zinc/81/51/51/343815151.db2.gz QBUMQYIMHUSWQG-HNNXBMFYSA-N 0 3 262.353 2.327 20 30 CEEDHN CN(CC(=O)N[C@H]1CC[C@@H](CC#N)C1)CC(C)(C)C ZINC000602157098 346983842 /nfs/dbraw/zinc/98/38/42/346983842.db2.gz LDYBGSPOIZZZME-STQMWFEESA-N 0 3 265.401 2.163 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000076981339 343903833 /nfs/dbraw/zinc/90/38/33/343903833.db2.gz WQHXFTAZOHSWFU-CQSZACIVSA-N 0 3 265.401 2.078 20 30 CEEDHN N#Cc1ccncc1N1CCN(C2CCCCC2)CC1 ZINC000091743323 344171928 /nfs/dbraw/zinc/17/19/28/344171928.db2.gz HQMVUVZCVUTBKP-UHFFFAOYSA-N 0 3 270.380 2.408 20 30 CEEDHN CCN1CCCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000091180294 344156336 /nfs/dbraw/zinc/15/63/36/344156336.db2.gz UBUCCSCACIGWJW-UHFFFAOYSA-N 0 3 290.342 2.257 20 30 CEEDHN C=CCOc1ccccc1CN(CCO)CC1CC1 ZINC000092506004 344192533 /nfs/dbraw/zinc/19/25/33/344192533.db2.gz YPKQVRIXZOOWTR-UHFFFAOYSA-N 0 3 261.365 2.456 20 30 CEEDHN Cc1nnc(N[C@@H](C)CN2CCCCC2)c(C#N)c1C ZINC000047873368 282333524 /nfs/dbraw/zinc/33/35/24/282333524.db2.gz FYZKXORXNPNHHQ-NSHDSACASA-N 0 3 273.384 2.251 20 30 CEEDHN CCN(CC)C(=O)[C@@H]1CCCN1C[C@H](C)CCC#N ZINC000602451736 347038890 /nfs/dbraw/zinc/03/88/90/347038890.db2.gz BQOVOIJLFHOGML-KGLIPLIRSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)COC(C)C)C(C)C ZINC000138284272 344389420 /nfs/dbraw/zinc/38/94/20/344389420.db2.gz SJCZBNKLPPDRSB-OAHLLOKOSA-N 0 3 282.428 2.226 20 30 CEEDHN COC(=O)[C@@H](C)CN(C)Cc1ccc(C#N)cc1C ZINC000166226958 344476058 /nfs/dbraw/zinc/47/60/58/344476058.db2.gz OPYXUCLRGBTRCS-LBPRGKRZSA-N 0 3 260.337 2.108 20 30 CEEDHN CC(C)CN(CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000051734994 362435544 /nfs/dbraw/zinc/43/55/44/362435544.db2.gz IWFIOOGGQDIODN-UHFFFAOYSA-N 0 3 277.412 2.449 20 30 CEEDHN CC1(CNCCS(=O)(=O)c2cccc(C#N)c2)CCC1 ZINC000232870675 344579995 /nfs/dbraw/zinc/57/99/95/344579995.db2.gz VWUYTDHSIREWPV-UHFFFAOYSA-N 0 3 292.404 2.112 20 30 CEEDHN N#Cc1cccc(CNCCN2Cc3ccccc3C2)n1 ZINC000602508181 347061142 /nfs/dbraw/zinc/06/11/42/347061142.db2.gz ABMYASDKSSAESM-UHFFFAOYSA-N 0 3 278.359 2.059 20 30 CEEDHN Cc1ccc(C(=O)NCCNCc2cccc(C#N)c2)cc1 ZINC000052042210 362462059 /nfs/dbraw/zinc/46/20/59/362462059.db2.gz RJCZBVJLTXHKCL-UHFFFAOYSA-N 0 3 293.370 2.386 20 30 CEEDHN N#Cc1cccc(CNC[C@H]2Cc3ccccc3O2)n1 ZINC000602511511 347062802 /nfs/dbraw/zinc/06/28/02/347062802.db2.gz NOBWBZZEYXEZLI-OAHLLOKOSA-N 0 3 265.316 2.047 20 30 CEEDHN COCCOc1ncccc1CNC1CCC(C#N)CC1 ZINC000602514087 347063450 /nfs/dbraw/zinc/06/34/50/347063450.db2.gz LKIUGPUGTBNXII-UHFFFAOYSA-N 0 3 289.379 2.279 20 30 CEEDHN N#CC1CCC(N[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000602534212 347069533 /nfs/dbraw/zinc/06/95/33/347069533.db2.gz HLHRURIPFDVYNH-ZBCRRDGASA-N 0 3 283.375 2.464 20 30 CEEDHN N#Cc1cccc(CNCCCOC2CCCC2)n1 ZINC000602529244 347067542 /nfs/dbraw/zinc/06/75/42/347067542.db2.gz ADEXBVYCFAOIGI-UHFFFAOYSA-N 0 3 259.353 2.392 20 30 CEEDHN CN1CC=C(CNC(=O)c2cccc3c[nH]nc32)CC1 ZINC000329172182 530047144 /nfs/dbraw/zinc/04/71/44/530047144.db2.gz AAYRJZYEYMDICW-UHFFFAOYSA-N 0 3 270.336 2.129 20 30 CEEDHN CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000328145162 344754715 /nfs/dbraw/zinc/75/47/15/344754715.db2.gz AHFNNKGSWNLUIA-LBPRGKRZSA-N 0 3 274.324 2.363 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNCc1cccc(C#N)n1 ZINC000602564129 347079554 /nfs/dbraw/zinc/07/95/54/347079554.db2.gz LXPXRFKGDHRMGE-KBPBESRZSA-N 0 3 272.396 2.306 20 30 CEEDHN Cc1cc(C)c(NC(=O)CN(C)C(=O)C(C)C#N)c(C)c1 ZINC000357824676 344807139 /nfs/dbraw/zinc/80/71/39/344807139.db2.gz KZOFSVCQEPUYFE-ZDUSSCGKSA-N 0 3 287.363 2.168 20 30 CEEDHN C#Cc1cccc(NC(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)c1 ZINC000367699790 344815620 /nfs/dbraw/zinc/81/56/20/344815620.db2.gz RTDGUAMEHRXFQH-HOCLYGCPSA-N 0 3 283.375 2.226 20 30 CEEDHN CC1(C)CN(C[C@@H](O)c2ccc(C#N)cc2)CCS1 ZINC000127309078 187295515 /nfs/dbraw/zinc/29/55/15/187295515.db2.gz BHUHJECNEIJUAF-CQSZACIVSA-N 0 3 276.405 2.419 20 30 CEEDHN C#C[C@@H](NC(=O)c1ccccc1CN(C)C)C(C)C ZINC000491668183 344913192 /nfs/dbraw/zinc/91/31/92/344913192.db2.gz YYQHTHNOTCXNSE-OAHLLOKOSA-N 0 3 258.365 2.136 20 30 CEEDHN CC[C@@H](CC#N)NC1CCN(c2ccccn2)CC1 ZINC000054183531 362518325 /nfs/dbraw/zinc/51/83/25/362518325.db2.gz UNVJQOKUGJNKLO-ZDUSSCGKSA-N 0 3 258.369 2.332 20 30 CEEDHN C=CCOCCN1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000590170149 345119343 /nfs/dbraw/zinc/11/93/43/345119343.db2.gz ASEDRMMINJEQNQ-ZDUSSCGKSA-N 0 3 269.385 2.100 20 30 CEEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)CCCC#N)C1 ZINC000589705322 345095190 /nfs/dbraw/zinc/09/51/90/345095190.db2.gz WUJXMQJFWBCXAP-INIZCTEOSA-N 0 3 285.391 2.413 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC(C3CC3)C2)cc1 ZINC000589724627 345096439 /nfs/dbraw/zinc/09/64/39/345096439.db2.gz MUUPGEYYZUBZOR-OAHLLOKOSA-N 0 3 279.343 2.109 20 30 CEEDHN C[C@H](NC(=O)CC1(C#N)CC1)[C@H](c1ccccc1)N(C)C ZINC000590329911 345129386 /nfs/dbraw/zinc/12/93/86/345129386.db2.gz ZXFHHLKALUQRLG-XJKSGUPXSA-N 0 3 285.391 2.488 20 30 CEEDHN CCn1nccc1CCN(C)Cc1cccc(C#N)c1 ZINC000351631594 219154581 /nfs/dbraw/zinc/15/45/81/219154581.db2.gz GSPRFOJYDXXRQU-UHFFFAOYSA-N 0 3 268.364 2.449 20 30 CEEDHN CC(C)C[C@H](C#N)NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000591163611 345227380 /nfs/dbraw/zinc/22/73/80/345227380.db2.gz KZBOEBSTXJDCDA-YIYPIFLZSA-N 0 3 265.401 2.302 20 30 CEEDHN C[C@]1(C#N)CCCN(C(=O)Nc2cccc(CN)c2)C1 ZINC000591310217 345238873 /nfs/dbraw/zinc/23/88/73/345238873.db2.gz KWDDVONPMQNWSE-OAHLLOKOSA-N 0 3 272.352 2.303 20 30 CEEDHN N#Cc1ccccc1OCCN1CCCC[C@@H]1C1(O)CC1 ZINC000590968926 345207902 /nfs/dbraw/zinc/20/79/02/345207902.db2.gz QBVSXWXAPPBKMB-MRXNPFEDSA-N 0 3 286.375 2.316 20 30 CEEDHN C[C@@H](CCC#N)N1CC[C@]2(C1)c1ccccc1NC2=O ZINC000591029786 345213974 /nfs/dbraw/zinc/21/39/74/345213974.db2.gz JZXMTXJBIRGSTJ-LRDDRELGSA-N 0 3 269.348 2.274 20 30 CEEDHN CCCN(C(=O)NCC(C)(C)CC#N)[C@H]1CCN(C)C1 ZINC000592029389 345315914 /nfs/dbraw/zinc/31/59/14/345315914.db2.gz JLTHUWSGMLEWBO-ZDUSSCGKSA-N 0 3 280.416 2.052 20 30 CEEDHN N#Cc1cnccc1CN[C@H]1CCCC12CCOCC2 ZINC000592120386 345324460 /nfs/dbraw/zinc/32/44/60/345324460.db2.gz GRSPMAGQLMPCTK-HNNXBMFYSA-N 0 3 271.364 2.392 20 30 CEEDHN CN1CC[C@H](NCc2ccncc2C#N)[C@H]1c1ccccc1 ZINC000592119855 345324614 /nfs/dbraw/zinc/32/46/14/345324614.db2.gz AVRDOUMCAWDIHH-ZWKOTPCHSA-N 0 3 292.386 2.488 20 30 CEEDHN C[C@@H]1c2ccc(F)cc2CCN1C(=O)[C@@H](N)CCCC#N ZINC000591616926 345270209 /nfs/dbraw/zinc/27/02/09/345270209.db2.gz YAJFYFHCNOVTSG-ABAIWWIYSA-N 0 3 289.354 2.293 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)CCC(C)(C)C ZINC000592145432 345328509 /nfs/dbraw/zinc/32/85/09/345328509.db2.gz ZVKWYJIOXZOPOK-ZDUSSCGKSA-N 0 3 267.417 2.363 20 30 CEEDHN N#CC[C@@]1(O)CCN(CC/C=C\c2ccccc2)C1 ZINC000592150113 345329870 /nfs/dbraw/zinc/32/98/70/345329870.db2.gz BAIRDEGIJRHSFH-LWAXHKBTSA-N 0 3 256.349 2.440 20 30 CEEDHN CCCN(C(=O)Cc1ccc(C#N)cc1)[C@H]1CCN(C)C1 ZINC000592830916 345402036 /nfs/dbraw/zinc/40/20/36/345402036.db2.gz HXMUMJIYQNRYLN-INIZCTEOSA-N 0 3 285.391 2.043 20 30 CEEDHN CC[C@H](C#N)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000593448002 345488771 /nfs/dbraw/zinc/48/87/71/345488771.db2.gz KVUFPTNJEUYKCA-KGLIPLIRSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)NCC2(C#N)CCCC2)C1 ZINC000593304747 345464053 /nfs/dbraw/zinc/46/40/53/345464053.db2.gz FARKQGAYKZCJJM-CQSZACIVSA-N 0 3 292.427 2.101 20 30 CEEDHN CC[C@H](C#N)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000593390937 345475832 /nfs/dbraw/zinc/47/58/32/345475832.db2.gz HYPAQSUDXRACPG-GDBMZVCRSA-N 0 3 285.391 2.489 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)C1CCN(C)CC1 ZINC000593962590 345556991 /nfs/dbraw/zinc/55/69/91/345556991.db2.gz SBEHRPZXIKGGJQ-AWEZNQCLSA-N 0 3 299.418 2.289 20 30 CEEDHN COC(=O)[C@]12CN(Cc3ccnc(C#N)c3)C[C@H]1CCCC2 ZINC000594018758 345567813 /nfs/dbraw/zinc/56/78/13/345567813.db2.gz ZVNDSLCOBFMAJW-RHSMWYFYSA-N 0 3 299.374 2.118 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](CC1CCCCC1)C(=O)OC ZINC000593652530 345516413 /nfs/dbraw/zinc/51/64/13/345516413.db2.gz GEJSBFVMWAMDNE-STQMWFEESA-N 0 3 280.368 2.164 20 30 CEEDHN N#Cc1cccc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594201078 345597489 /nfs/dbraw/zinc/59/74/89/345597489.db2.gz NHNWBRNBXYGZOQ-CVEARBPZSA-N 0 3 283.375 2.305 20 30 CEEDHN N#CCc1cccc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000594201222 345597848 /nfs/dbraw/zinc/59/78/48/345597848.db2.gz OWJXFLVPFCMYQT-IAGOWNOFSA-N 0 3 297.402 2.499 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000594253598 345605098 /nfs/dbraw/zinc/60/50/98/345605098.db2.gz RUVZVSGWGJCYGK-XJKSGUPXSA-N 0 3 297.402 2.090 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CC[C@H](C)C1 ZINC000594304128 345610500 /nfs/dbraw/zinc/61/05/00/345610500.db2.gz AVYIPCOVRJIREA-GJZGRUSLSA-N 0 3 299.418 2.195 20 30 CEEDHN CCC(C)(C)N1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC000594389262 345620040 /nfs/dbraw/zinc/62/00/40/345620040.db2.gz HJMDRENKNPUKQR-UHFFFAOYSA-N 0 3 265.401 2.259 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2c(c1)CCN2 ZINC000594425091 345625954 /nfs/dbraw/zinc/62/59/54/345625954.db2.gz JSQPGVACHRLGIS-CYBMUJFWSA-N 0 3 272.352 2.004 20 30 CEEDHN Cc1ccc(CNC(=O)[C@@H](N)CCCCC#N)s1 ZINC000594428968 345627852 /nfs/dbraw/zinc/62/78/52/345627852.db2.gz PNSZCRYTMPKBER-LBPRGKRZSA-N 0 3 265.382 2.084 20 30 CEEDHN Cc1ccsc1CNC(=O)[C@H](N)CCCCC#N ZINC000594428927 345627866 /nfs/dbraw/zinc/62/78/66/345627866.db2.gz OPTUDCSVSCPOJP-LLVKDONJSA-N 0 3 265.382 2.084 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000594431282 345628712 /nfs/dbraw/zinc/62/87/12/345628712.db2.gz KXIUUIYHPHLMMN-LSDHHAIUSA-N 0 3 289.354 2.340 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCc1cc(F)cc(F)c1 ZINC000594431399 345628786 /nfs/dbraw/zinc/62/87/86/345628786.db2.gz LVJKWERBWJVIID-CQSZACIVSA-N 0 3 295.333 2.035 20 30 CEEDHN CCn1ncc2ccc(NC(=O)[C@H](N)CCCCC#N)cc21 ZINC000594431951 345628846 /nfs/dbraw/zinc/62/88/46/345628846.db2.gz SZBZAMCQBBYWFA-CQSZACIVSA-N 0 3 299.378 2.406 20 30 CEEDHN COc1ccc(N(C)C(=O)[C@H](N)CCCCC#N)cc1F ZINC000594433880 345629290 /nfs/dbraw/zinc/62/92/90/345629290.db2.gz ULJIYVSKHKYDBZ-CYBMUJFWSA-N 0 3 293.342 2.208 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC1(c2cccc(F)c2)CC1 ZINC000594432847 345629363 /nfs/dbraw/zinc/62/93/63/345629363.db2.gz GYURXICFELEUKV-CQSZACIVSA-N 0 3 289.354 2.342 20 30 CEEDHN Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)c(O)c1 ZINC000594436521 345629744 /nfs/dbraw/zinc/62/97/44/345629744.db2.gz NRACDTFXNGMEBO-NSHDSACASA-N 0 3 261.325 2.050 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCCc2cccc(O)c21 ZINC000594435724 345630084 /nfs/dbraw/zinc/63/00/84/345630084.db2.gz JCHRCINSYZJLTQ-CYBMUJFWSA-N 0 3 287.363 2.083 20 30 CEEDHN C[C@@H]1CCCN(C(=O)[C@H](N)CCCCC#N)[C@@H]1C ZINC000594436404 345630152 /nfs/dbraw/zinc/63/01/52/345630152.db2.gz IVWRWQGVMSZFLE-JHJVBQTASA-N 0 3 251.374 2.045 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc2ccccc2n1 ZINC000594440738 345631445 /nfs/dbraw/zinc/63/14/45/345631445.db2.gz IMDSZAREJBVRLB-HNNXBMFYSA-N 0 3 296.374 2.262 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000594440276 345631579 /nfs/dbraw/zinc/63/15/79/345631579.db2.gz BKSADSUFIYJFGT-OAHLLOKOSA-N 0 3 297.362 2.222 20 30 CEEDHN CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H](N)CCCCC#N ZINC000594444108 345632184 /nfs/dbraw/zinc/63/21/84/345632184.db2.gz KRTIBQNYOJKURU-UPJWGTAASA-N 0 3 251.374 2.045 20 30 CEEDHN CCS[C@@H]1CCC[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594445291 345632745 /nfs/dbraw/zinc/63/27/45/345632745.db2.gz CQAYJTDOACZOHM-YNEHKIRRSA-N 0 3 283.441 2.188 20 30 CEEDHN CO[C@]1(C)C[C@H](N(C)C(=O)[C@H](N)CCCCC#N)C1(C)C ZINC000594446231 345632753 /nfs/dbraw/zinc/63/27/53/345632753.db2.gz QJRABHKCXDCBIP-DVOMOZLQSA-N 0 3 295.427 2.060 20 30 CEEDHN Cc1ccc(CCNC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594448040 345633633 /nfs/dbraw/zinc/63/36/33/345633633.db2.gz YZCCTBIZKSUUOD-HNNXBMFYSA-N 0 3 273.380 2.065 20 30 CEEDHN CC(C)(N)c1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nn1 ZINC000594656186 345667923 /nfs/dbraw/zinc/66/79/23/345667923.db2.gz HCTJHNSLGSRQFQ-UHFFFAOYSA-N 0 3 295.268 2.352 20 30 CEEDHN CC(C)(C)O[C@H]1C[C@H](NCc2cnc3c(C#N)cnn3c2)C1 ZINC000594616082 345662977 /nfs/dbraw/zinc/66/29/77/345662977.db2.gz ZJWCGKLYXZWMJU-HDJSIYSDSA-N 0 3 299.378 2.037 20 30 CEEDHN N#Cc1ccc(-n2cc(CCN3CCCCC3)nn2)cc1 ZINC000594651308 345667014 /nfs/dbraw/zinc/66/70/14/345667014.db2.gz HWIFBTZIBQMENY-UHFFFAOYSA-N 0 3 281.363 2.167 20 30 CEEDHN C[C@]1(C#N)CCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000595233102 345746458 /nfs/dbraw/zinc/74/64/58/345746458.db2.gz SKFHWVFAVIRERM-MRXNPFEDSA-N 0 3 284.363 2.100 20 30 CEEDHN CC(C)CCc1nnc(NC(=O)[C@@H](N)CCCC#N)s1 ZINC000595251461 345748210 /nfs/dbraw/zinc/74/82/10/345748210.db2.gz WBNLBXYJTGKTKM-JTQLQIEISA-N 0 3 295.412 2.086 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N(CCC1CC1)CC1CC1 ZINC000595259335 345750850 /nfs/dbraw/zinc/75/08/50/345750850.db2.gz KUMCOINYIMAVGI-AWEZNQCLSA-N 0 3 263.385 2.046 20 30 CEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)C1CCC(F)CC1 ZINC000595260148 345750892 /nfs/dbraw/zinc/75/08/92/345750892.db2.gz WHOQXEJFRBXTAD-WTIISPKJSA-N 0 3 269.364 2.041 20 30 CEEDHN Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](N)CCCC#N)[C@H](C)C2 ZINC000595259211 345750914 /nfs/dbraw/zinc/75/09/14/345750914.db2.gz YXNKRHGOPZWDCQ-WQVCFCJDSA-N 0 3 285.391 2.366 20 30 CEEDHN CN(CCO[C@H]1CC1(F)F)Cc1ccc(C#N)cc1 ZINC000595288252 345754675 /nfs/dbraw/zinc/75/46/75/345754675.db2.gz MHEJKAOACZIXPQ-ZDUSSCGKSA-N 0 3 266.291 2.414 20 30 CEEDHN COC[C@@](C)(CCO)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594938505 345710285 /nfs/dbraw/zinc/71/02/85/345710285.db2.gz KZLCTTYHHBWPFU-MRXNPFEDSA-N 0 3 288.391 2.119 20 30 CEEDHN C=CCCSCCNCc1cc(C(N)=O)cs1 ZINC000594960129 345717199 /nfs/dbraw/zinc/71/71/99/345717199.db2.gz KJIBEAGUNZRLJZ-UHFFFAOYSA-N 0 3 270.423 2.246 20 30 CEEDHN Cc1cc(CN[C@H]2C[C@H](O)C23CCC3)ccc1C#N ZINC000594987836 345722054 /nfs/dbraw/zinc/72/20/54/345722054.db2.gz LFBPDLXVSWCHEM-GJZGRUSLSA-N 0 3 256.349 2.260 20 30 CEEDHN C[C@@H](NC1CCN(CC#N)CC1)c1cc2cnccc2o1 ZINC000595018220 345728415 /nfs/dbraw/zinc/72/84/15/345728415.db2.gz MLMCGPVBUPAIMG-GFCCVEGCSA-N 0 3 284.363 2.466 20 30 CEEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)[C@H]1CCOC1 ZINC000595059602 345736919 /nfs/dbraw/zinc/73/69/19/345736919.db2.gz HCRAANXMKRFPPY-DIOULYMOSA-N 0 3 292.354 2.399 20 30 CEEDHN CS[C@@H]1CN([C@@H](C#N)c2ccccc2)C[C@H]1N(C)C ZINC000595403248 345774485 /nfs/dbraw/zinc/77/44/85/345774485.db2.gz JGAYHNAMKLPHIA-RRFJBIMHSA-N 0 3 275.421 2.229 20 30 CEEDHN CC(C)[C@H](N[C@H]1CC[C@H](C#N)C1)[C@H](O)C(F)(F)F ZINC000595482519 345793418 /nfs/dbraw/zinc/79/34/18/345793418.db2.gz PGORNXMNALFIBY-NAKRPEOUSA-N 0 3 264.291 2.216 20 30 CEEDHN CC(C)[C@H]1CN(C)CCN1CCc1ccc(C#N)cc1 ZINC000595498948 345796696 /nfs/dbraw/zinc/79/66/96/345796696.db2.gz IBUKAPBSIYBQHV-QGZVFWFLSA-N 0 3 271.408 2.373 20 30 CEEDHN CO[C@@H]1[C@H](C)[C@@H](NCc2cccc(C#N)n2)C1(C)C ZINC000602582060 347087677 /nfs/dbraw/zinc/08/76/77/347087677.db2.gz NFRYNFNNMWQJTG-LERXQTSPSA-N 0 3 259.353 2.102 20 30 CEEDHN C=CCCSCCNC(=O)N[C@H]1CCN(CCC)C1 ZINC000595724396 345860216 /nfs/dbraw/zinc/86/02/16/345860216.db2.gz ZUKYWFHAMKEMLQ-ZDUSSCGKSA-N 0 3 285.457 2.079 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](Cn2ccnn2)C1 ZINC000595604823 345824196 /nfs/dbraw/zinc/82/41/96/345824196.db2.gz DLXDDWZMLJJQJQ-ZFWWWQNUSA-N 0 3 281.363 2.233 20 30 CEEDHN COC[C@H](CNC(C)(C)c1cccc(C#N)c1)OC ZINC000595633428 345833432 /nfs/dbraw/zinc/83/34/32/345833432.db2.gz RJQJFDBWYJOBOD-AWEZNQCLSA-N 0 3 262.353 2.044 20 30 CEEDHN N#CCCOCCN1CC[C@@H](Oc2ccccc2)C1 ZINC000595832260 345889190 /nfs/dbraw/zinc/88/91/90/345889190.db2.gz VKULSFAOTIWGMM-OAHLLOKOSA-N 0 3 260.337 2.070 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H](C2CCC2)C1 ZINC000595838788 345893824 /nfs/dbraw/zinc/89/38/24/345893824.db2.gz WHRYSDHGHXSJHR-OAHLLOKOSA-N 0 3 277.412 2.261 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000595845663 345897448 /nfs/dbraw/zinc/89/74/48/345897448.db2.gz SNZSAVFWMLRWQF-UPJWGTAASA-N 0 3 293.411 2.182 20 30 CEEDHN C[C@H](CN1CC[C@@](C)(C#N)C1)CN1CC[C@](C)(C#N)C1 ZINC000595840881 345895657 /nfs/dbraw/zinc/89/56/57/345895657.db2.gz QMYYQHTYFGTNCE-MUJYYYPQSA-N 0 3 274.412 2.094 20 30 CEEDHN CC[C@H](NCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000595766489 345871368 /nfs/dbraw/zinc/87/13/68/345871368.db2.gz WPJDHXDUHNRYJY-AWEZNQCLSA-N 0 3 257.337 2.275 20 30 CEEDHN N#Cc1cc(CN[C@H]2C[C@@H](O)C23CCC3)ccc1F ZINC000595781568 345875268 /nfs/dbraw/zinc/87/52/68/345875268.db2.gz MMAGSBSXFRRLAD-UONOGXRCSA-N 0 3 260.312 2.090 20 30 CEEDHN CN(c1ccccc1)[C@H]1CCN(CCOCCC#N)C1 ZINC000595826376 345886595 /nfs/dbraw/zinc/88/65/95/345886595.db2.gz ODCCSSWPVWJORO-INIZCTEOSA-N 0 3 273.380 2.127 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N(C)C[C@H]1CCc2ccccc21 ZINC000595880843 345905384 /nfs/dbraw/zinc/90/53/84/345905384.db2.gz PGHJSCXHTBQLIP-GOEBONIOSA-N 0 3 299.418 2.409 20 30 CEEDHN CN(CC(=O)NC1(C#N)CCCCC1)C[C@H]1CC1(C)C ZINC000595912922 345912130 /nfs/dbraw/zinc/91/21/30/345912130.db2.gz PIRXFBKNGUUSCR-CYBMUJFWSA-N 0 3 277.412 2.307 20 30 CEEDHN N#Cc1cccc2c1CN(C(=O)C1(NC3CC3)CCC1)C2 ZINC000595958997 345917363 /nfs/dbraw/zinc/91/73/63/345917363.db2.gz LCOOUBQRLIVTJT-UHFFFAOYSA-N 0 3 281.359 2.075 20 30 CEEDHN Cc1cc(N2C[C@H](C)N(C)C[C@@H]2C)cc(C#N)c1[N+](=O)[O-] ZINC000596180416 345961852 /nfs/dbraw/zinc/96/18/52/345961852.db2.gz ZNCUFHHDPDCEPK-RYUDHWBXSA-N 0 3 288.351 2.304 20 30 CEEDHN Cc1nc(NC[C@H]2CCN2Cc2ccccc2)ccc1C#N ZINC000596558136 346055095 /nfs/dbraw/zinc/05/50/95/346055095.db2.gz OERMKQJDMRJNPW-QGZVFWFLSA-N 0 3 292.386 2.370 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)N1CCC[C@H](CC#N)C1 ZINC000596480585 346034301 /nfs/dbraw/zinc/03/43/01/346034301.db2.gz SKACMLFHDPZSAH-HUUCEWRRSA-N 0 3 292.427 2.196 20 30 CEEDHN CCCN1CC[C@H](NC(=O)Nc2cccc(C#N)c2)C1 ZINC000596483323 346035059 /nfs/dbraw/zinc/03/50/59/346035059.db2.gz ZDIBSYFPCJGEHO-AWEZNQCLSA-N 0 3 272.352 2.164 20 30 CEEDHN CCCN1CC[C@H](Nc2ncc3c(c2C#N)CCC3)C1 ZINC000596518534 346044523 /nfs/dbraw/zinc/04/45/23/346044523.db2.gz WADQOFCGBCJDFF-ZDUSSCGKSA-N 0 3 270.380 2.338 20 30 CEEDHN C[C@H](CC#N)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000596793547 346091204 /nfs/dbraw/zinc/09/12/04/346091204.db2.gz IMXMCYGOQLKQRT-CYBMUJFWSA-N 0 3 295.452 2.014 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)N1CCC[C@H](CC#N)C1 ZINC000596599800 346063222 /nfs/dbraw/zinc/06/32/22/346063222.db2.gz VFEUGERCICCZBS-CABCVRRESA-N 0 3 292.427 2.196 20 30 CEEDHN C[C@@H](CN(C)C)NC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000596600519 346063263 /nfs/dbraw/zinc/06/32/63/346063263.db2.gz JLEJYDFTKFRVJA-LBPRGKRZSA-N 0 3 288.395 2.043 20 30 CEEDHN CN1CCC[C@@H](NC(=O)CC2(C#N)CCCCC2)C1 ZINC000597161859 346139023 /nfs/dbraw/zinc/13/90/23/346139023.db2.gz CUXAXWVLDGCEQU-CYBMUJFWSA-N 0 3 263.385 2.061 20 30 CEEDHN CCN(C(=O)Nc1cc(C)cc(C#N)c1)[C@H]1CCN(C)C1 ZINC000596928676 346107477 /nfs/dbraw/zinc/10/74/77/346107477.db2.gz ZYKXZMBVZXZYDR-HNNXBMFYSA-N 0 3 286.379 2.425 20 30 CEEDHN C[C@H](CC#N)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000596969821 346110237 /nfs/dbraw/zinc/11/02/37/346110237.db2.gz IHDACQZXCQTZTB-CQSZACIVSA-N 0 3 277.412 2.261 20 30 CEEDHN C[C@H](O)CCN(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597007586 346114360 /nfs/dbraw/zinc/11/43/60/346114360.db2.gz FJCKGNTVDAZOQT-ZDUSSCGKSA-N 0 3 258.365 2.444 20 30 CEEDHN CN(C)[C@@H]1CCCN(C(=O)CC2(C#N)CCCCC2)C1 ZINC000597099284 346128298 /nfs/dbraw/zinc/12/82/98/346128298.db2.gz JRTGJBLCPRUPFH-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CO[C@H](C3CC3)C2)cc1F ZINC000597142699 346134258 /nfs/dbraw/zinc/13/42/58/346134258.db2.gz CLUZRPBXGRVELM-ZFWWWQNUSA-N 0 3 260.312 2.354 20 30 CEEDHN COc1cc(CN2C[C@H]3COC[C@]3(C)C2)ccc1C#N ZINC000597210508 346149581 /nfs/dbraw/zinc/14/95/81/346149581.db2.gz HSWDLBBMNHCBHR-HOCLYGCPSA-N 0 3 272.348 2.035 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)CC#N)C(C)C ZINC000597223616 346154163 /nfs/dbraw/zinc/15/41/63/346154163.db2.gz RBEGNSCVTIPQFS-CABCVRRESA-N 0 3 277.412 2.351 20 30 CEEDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc(CC#N)cc1)C2 ZINC000597710405 346219259 /nfs/dbraw/zinc/21/92/59/346219259.db2.gz LYMHEDDLJALREN-SFHVURJKSA-N 0 3 297.402 2.311 20 30 CEEDHN CN1CC[C@]2(C1)CCCN(C(=O)c1cscc1C#N)C2 ZINC000597709749 346219336 /nfs/dbraw/zinc/21/93/36/346219336.db2.gz BCWKKBWXWMDOIO-HNNXBMFYSA-N 0 3 289.404 2.178 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCc1ccc(C#N)cc1 ZINC000597894489 346247495 /nfs/dbraw/zinc/24/74/95/346247495.db2.gz XOJNTVIDOOFBLJ-ZIAGYGMSSA-N 0 3 285.391 2.090 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H](CO)C1CCC1 ZINC000597920304 346253336 /nfs/dbraw/zinc/25/33/36/346253336.db2.gz SDVYPLJZEMWUSU-JKSUJKDBSA-N 0 3 286.375 2.036 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)NCC1(C#N)CCCCC1 ZINC000598303597 346322450 /nfs/dbraw/zinc/32/24/50/346322450.db2.gz BLBOHCWSCVAPIX-KBPBESRZSA-N 0 3 277.412 2.449 20 30 CEEDHN CCC(C#N)C(=O)NC[C@H](C(=O)OC(C)(C)C)C1CCC1 ZINC000598582136 346377456 /nfs/dbraw/zinc/37/74/56/346377456.db2.gz KJKGQXYAWMDKRL-YPMHNXCESA-N 0 3 294.395 2.410 20 30 CEEDHN COc1ccc(CN(C)C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598585793 346377889 /nfs/dbraw/zinc/37/78/89/346377889.db2.gz ASQOWYSQPDCZLK-AWEZNQCLSA-N 0 3 276.380 2.428 20 30 CEEDHN CC[C@H]1CN(C[C@H](O)CC(C)(C)C#N)CCS1 ZINC000598596052 346380826 /nfs/dbraw/zinc/38/08/26/346380826.db2.gz QEIGEKQLBXANMA-NEPJUHHUSA-N 0 3 256.415 2.115 20 30 CEEDHN Cn1cc([C@H](NC[C@H](O)CC(C)(C)C#N)C(C)(C)C)cn1 ZINC000598601658 346381764 /nfs/dbraw/zinc/38/17/64/346381764.db2.gz LSCYFDHIRONQRF-KGLIPLIRSA-N 0 3 292.427 2.398 20 30 CEEDHN CCn1ccc(CN(C)C[C@H](O)CC(C)(C)C#N)c1 ZINC000598616389 346384496 /nfs/dbraw/zinc/38/44/96/346384496.db2.gz OZONHXAXLDNEJV-CQSZACIVSA-N 0 3 263.385 2.241 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCc2c1cccc2O ZINC000598617523 346384584 /nfs/dbraw/zinc/38/45/84/346384584.db2.gz JUMUSMSKWLQDFD-RISCZKNCSA-N 0 3 274.364 2.270 20 30 CEEDHN CC[C@@H]1COC(C)(C)CN1C[C@H](O)CC(C)(C)C#N ZINC000598622883 346386968 /nfs/dbraw/zinc/38/69/68/346386968.db2.gz OPPHGHCTMPACPZ-CHWSQXEVSA-N 0 3 268.401 2.177 20 30 CEEDHN CC(C)O[C@@H]1CCCN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598624117 346387216 /nfs/dbraw/zinc/38/72/16/346387216.db2.gz WWQAAYAYJAJPEP-ZIAGYGMSSA-N 0 3 268.401 2.177 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCC2(CC2(F)F)CC1 ZINC000598622316 346387242 /nfs/dbraw/zinc/38/72/42/346387242.db2.gz HRDHLOGJWYCIHH-NSHDSACASA-N 0 3 272.339 2.408 20 30 CEEDHN COc1ccc(OC)c(CNC[C@H](O)CC(C)(C)C#N)c1 ZINC000598699221 346403104 /nfs/dbraw/zinc/40/31/04/346403104.db2.gz CXTMBKCFIRIPNJ-CYBMUJFWSA-N 0 3 292.379 2.094 20 30 CEEDHN COc1cccc(CNC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598703633 346404185 /nfs/dbraw/zinc/40/41/85/346404185.db2.gz IIAPKRQSTGKOES-ZDUSSCGKSA-N 0 3 262.353 2.086 20 30 CEEDHN COc1ccc(CN2CC[C@H](C)[C@@H](CO)C2)cc1C#N ZINC000598648034 346392498 /nfs/dbraw/zinc/39/24/98/346392498.db2.gz QYTHKHBVNKCXFD-SWLSCSKDSA-N 0 3 274.364 2.017 20 30 CEEDHN COc1ccc(CN2CC[C@H](C)[C@H](CO)C2)cc1C#N ZINC000598648035 346393010 /nfs/dbraw/zinc/39/30/10/346393010.db2.gz QYTHKHBVNKCXFD-WFASDCNBSA-N 0 3 274.364 2.017 20 30 CEEDHN N#CCCCCNCc1cn(-c2ccc(F)cc2)nn1 ZINC000598962737 346438546 /nfs/dbraw/zinc/43/85/46/346438546.db2.gz IUUVAYBZGRJXBR-UHFFFAOYSA-N 0 3 273.315 2.190 20 30 CEEDHN CCC(C#N)(CC)C(=O)NCCN1CCC(C)CC1 ZINC000599071100 346455788 /nfs/dbraw/zinc/45/57/88/346455788.db2.gz QAXORWJNGNZHKA-UHFFFAOYSA-N 0 3 265.401 2.164 20 30 CEEDHN Cc1nsc(NC[C@@H]2CCCCN(C)C2)c1C#N ZINC000599140319 346466122 /nfs/dbraw/zinc/46/61/22/346466122.db2.gz UQTKKYIERBHOOT-NSHDSACASA-N 0 3 264.398 2.467 20 30 CEEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc2c(c1)OCO2 ZINC000599350512 346504304 /nfs/dbraw/zinc/50/43/04/346504304.db2.gz SVYFGDATBHORFV-YPMHNXCESA-N 0 3 288.347 2.121 20 30 CEEDHN CCOCCOCCN(C)Cc1ccc(C)c(C#N)c1 ZINC000599386285 346511074 /nfs/dbraw/zinc/51/10/74/346511074.db2.gz LTAXLXPHOFICMM-UHFFFAOYSA-N 0 3 276.380 2.352 20 30 CEEDHN COCC[C@@]1(NCc2ccc(C)c(C#N)c2)CCOC1 ZINC000599387793 346512371 /nfs/dbraw/zinc/51/23/71/346512371.db2.gz SDSXSNAWAZKUHG-MRXNPFEDSA-N 0 3 274.364 2.152 20 30 CEEDHN Cc1ccc(CN2CC[C@@H](C(=O)N3CCCC3)C2)cc1C#N ZINC000599418685 346515534 /nfs/dbraw/zinc/51/55/34/346515534.db2.gz LCPVBNICGWELOA-MRXNPFEDSA-N 0 3 297.402 2.311 20 30 CEEDHN N#CC1(C[C@@H](O)CN2CC[C@@H]2c2ccccc2)CC1 ZINC000599316645 346498425 /nfs/dbraw/zinc/49/84/25/346498425.db2.gz NQCVHMFAVOOZAR-HUUCEWRRSA-N 0 3 256.349 2.488 20 30 CEEDHN N#CCc1cccc2c1CCN(CC1(O)CCCC1)C2 ZINC000599678210 346562509 /nfs/dbraw/zinc/56/25/09/346562509.db2.gz GTPYNZZWXHSYGA-UHFFFAOYSA-N 0 3 270.376 2.416 20 30 CEEDHN Cc1ccc(CN2CC[C@@H]3COC[C@@H]3C2)cc1C#N ZINC000599475204 346525596 /nfs/dbraw/zinc/52/55/96/346525596.db2.gz JBWXWMMVUQOLFD-ZBFHGGJFSA-N 0 3 256.349 2.335 20 30 CEEDHN N#CCCOCCN[C@H](c1ccccn1)C1CCC1 ZINC000599574649 346540558 /nfs/dbraw/zinc/54/05/58/346540558.db2.gz XFWIXNSLUQEBAY-HNNXBMFYSA-N 0 3 259.353 2.443 20 30 CEEDHN C[C@@H](CCC#N)C[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000602612263 347101953 /nfs/dbraw/zinc/10/19/53/347101953.db2.gz HEKOUMKKLONQTL-GXTWGEPZSA-N 0 3 269.352 2.424 20 30 CEEDHN C[C@@H](CCC#N)CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000602612263 347101961 /nfs/dbraw/zinc/10/19/61/347101961.db2.gz HEKOUMKKLONQTL-GXTWGEPZSA-N 0 3 269.352 2.424 20 30 CEEDHN N#CCc1ccc(OC[C@H](O)CN(C2CC2)C2CC2)cc1 ZINC000599595294 346544037 /nfs/dbraw/zinc/54/40/37/346544037.db2.gz URSONNOJBWWAGC-MRXNPFEDSA-N 0 3 286.375 2.119 20 30 CEEDHN CCOC(=O)c1cccc(CNCCCCC#N)n1 ZINC000600132961 346602886 /nfs/dbraw/zinc/60/28/86/346602886.db2.gz POTJQYXFZACOOU-UHFFFAOYSA-N 0 3 261.325 2.042 20 30 CEEDHN CCC(C#N)C(=O)NC[C@H](C(=O)OC)C1CCCCC1 ZINC000600409284 346638653 /nfs/dbraw/zinc/63/86/53/346638653.db2.gz NNTAUKANBPCARV-AAEUAGOBSA-N 0 3 280.368 2.022 20 30 CEEDHN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C(C)C#N ZINC000600423558 346639676 /nfs/dbraw/zinc/63/96/76/346639676.db2.gz ARVTWPYPDMQMRE-SECBINFHSA-N 0 3 273.311 2.434 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)c1ccccc1CC#N ZINC000600997865 346729206 /nfs/dbraw/zinc/72/92/06/346729206.db2.gz NPJVLKFPIHBBQY-AWEZNQCLSA-N 0 3 285.391 2.357 20 30 CEEDHN Cc1ccc2c(c1C)OC[C@@H]2NC[C@@H](O)CC1(C#N)CC1 ZINC000600722518 346678203 /nfs/dbraw/zinc/67/82/03/346678203.db2.gz QSVYLXAXPYISDJ-ZFWWWQNUSA-N 0 3 286.375 2.381 20 30 CEEDHN N#Cc1cc(-c2ccc(CN3CC[NH2+]CC3)cc2)ccc1[O-] ZINC000600781060 346689232 /nfs/dbraw/zinc/68/92/32/346689232.db2.gz ZQXXDNDIMAXVPG-UHFFFAOYSA-N 0 3 293.370 2.336 20 30 CEEDHN Cc1cc(C#N)cc(N[C@H]2CN(C3CC3)C[C@H]2C)n1 ZINC000601128917 346762595 /nfs/dbraw/zinc/76/25/95/346762595.db2.gz GZUUYONEVWACBQ-YGRLFVJLSA-N 0 3 256.353 2.156 20 30 CEEDHN CCCN1CC[C@@H](Nc2ncc(C#N)c3ccsc32)C1 ZINC000601196349 346784162 /nfs/dbraw/zinc/78/41/62/346784162.db2.gz HWFMTCFFZKIOFZ-GFCCVEGCSA-N 0 3 286.404 2.486 20 30 CEEDHN CCOC1CC(CCNCc2cccc(C#N)n2)C1 ZINC000602648227 347122992 /nfs/dbraw/zinc/12/29/92/347122992.db2.gz VMMOVBXJFIAIBL-UHFFFAOYSA-N 0 3 259.353 2.248 20 30 CEEDHN CO[C@H](CNCc1cccc(C#N)n1)Cc1ccccc1 ZINC000602674421 347137391 /nfs/dbraw/zinc/13/73/91/347137391.db2.gz QCJADSUBKRQMGF-KRWDZBQOSA-N 0 3 281.359 2.301 20 30 CEEDHN N#Cc1cccc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)n1 ZINC000602679606 347140825 /nfs/dbraw/zinc/14/08/25/347140825.db2.gz MHNNMXWGASXIEL-BRWVUGGUSA-N 0 3 285.391 2.469 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCO[C@@H](c3ccncc3)C2)n1 ZINC000602682585 347142795 /nfs/dbraw/zinc/14/27/95/347142795.db2.gz MMOLTVXTVBBJHK-WMLDXEAASA-N 0 3 294.358 2.358 20 30 CEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(CO)cc1 ZINC000602697846 347153337 /nfs/dbraw/zinc/15/33/37/347153337.db2.gz AVSMXSKMNRNGOW-CQSZACIVSA-N 0 3 288.391 2.367 20 30 CEEDHN N#Cc1cccc(CN[C@H](C2CC2)[C@H]2CCCCO2)n1 ZINC000602707137 347161422 /nfs/dbraw/zinc/16/14/22/347161422.db2.gz SWWZTACBAONUTD-HZPDHXFCSA-N 0 3 271.364 2.391 20 30 CEEDHN CC(C#N)C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000044813992 136698337 /nfs/dbraw/zinc/69/83/37/136698337.db2.gz ALJFNHLKNYCUIP-LLVKDONJSA-N 0 3 277.755 2.148 20 30 CEEDHN CCOC(=O)[C@]1(C)CCC[C@H]1NCc1cccc(C#N)n1 ZINC000602723766 347171349 /nfs/dbraw/zinc/17/13/49/347171349.db2.gz SUJXGQPEBBOBSV-GDBMZVCRSA-N 0 3 287.363 2.165 20 30 CEEDHN CN(Cc1cc(C#N)cs1)[C@@H]1CN2CCC1CC2 ZINC000602750807 347184987 /nfs/dbraw/zinc/18/49/87/347184987.db2.gz DJWOWVYXEONHOF-CQSZACIVSA-N 0 3 261.394 2.146 20 30 CEEDHN N#CCC[C@@H](C#N)CN1CCCN(c2ccncc2)CC1 ZINC000602844717 347221696 /nfs/dbraw/zinc/22/16/96/347221696.db2.gz DVDMAXNDDJMEHW-HNNXBMFYSA-N 0 3 283.379 2.037 20 30 CEEDHN N#CCc1cccc2c1CCN(CCc1cnccn1)C2 ZINC000602919390 347247290 /nfs/dbraw/zinc/24/72/90/347247290.db2.gz UQUOHLJESCPNDA-UHFFFAOYSA-N 0 3 278.359 2.143 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(SC)CC1 ZINC000602922418 347249007 /nfs/dbraw/zinc/24/90/07/347249007.db2.gz VHJDFDXAJHSKIS-ZDUSSCGKSA-N 0 3 282.453 2.403 20 30 CEEDHN CC[C@]1(O)CCCN(CCOc2cccc(C#N)c2)C1 ZINC000602981328 347264945 /nfs/dbraw/zinc/26/49/45/347264945.db2.gz BNVRECPAMOPBDS-INIZCTEOSA-N 0 3 274.364 2.174 20 30 CEEDHN CCC[C@H](N)c1cn([C@@H](C#N)c2ccccc2)nn1 ZINC000603220223 347312387 /nfs/dbraw/zinc/31/23/87/347312387.db2.gz FTRCOXWRXFJCQW-JSGCOSHPSA-N 0 3 255.325 2.191 20 30 CEEDHN CCC[C@H](N)c1cn([C@H](C#N)c2ccccc2)nn1 ZINC000603220222 347312644 /nfs/dbraw/zinc/31/26/44/347312644.db2.gz FTRCOXWRXFJCQW-GXTWGEPZSA-N 0 3 255.325 2.191 20 30 CEEDHN C=CC[C@@H](CO)NCc1cn(C)nc1-c1ccccc1 ZINC000680484454 539565398 /nfs/dbraw/zinc/56/53/98/539565398.db2.gz JVFJTAOAJCKKGZ-HNNXBMFYSA-N 0 3 271.364 2.114 20 30 CEEDHN N#CC1(C(=O)N[C@@H]2CCN(CC3CC3)C2)CCCCC1 ZINC000609382318 347637568 /nfs/dbraw/zinc/63/75/68/347637568.db2.gz AKXWFZRREMGKFG-CQSZACIVSA-N 0 3 275.396 2.061 20 30 CEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000610430001 347681114 /nfs/dbraw/zinc/68/11/14/347681114.db2.gz BMOTWXBRLDDBIS-MWLCHTKSSA-N 0 3 274.324 2.160 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1COc2c1cccc2Cl ZINC000610714589 347705788 /nfs/dbraw/zinc/70/57/88/347705788.db2.gz QWXLDZOFKDUQTR-XVKPBYJWSA-N 0 3 250.685 2.049 20 30 CEEDHN CC(C)NC(=O)CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390224 347772477 /nfs/dbraw/zinc/77/24/77/347772477.db2.gz KTRPEWYLYDPGFA-OAHLLOKOSA-N 0 3 271.364 2.050 20 30 CEEDHN CCCNC(=O)CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391057 347772553 /nfs/dbraw/zinc/77/25/53/347772553.db2.gz ONMFAFSXYBLFDZ-MRXNPFEDSA-N 0 3 285.391 2.442 20 30 CEEDHN CC(=O)N1CC[C@H](NCc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000610947045 347723849 /nfs/dbraw/zinc/72/38/49/347723849.db2.gz ABLNKFAWPXGWQS-ZBEGNZNMSA-N 0 3 289.354 2.044 20 30 CEEDHN CC[C@H](C(=O)N[C@@H](C#N)CC(C)C)N(CC)CC ZINC000611250648 347758558 /nfs/dbraw/zinc/75/85/58/347758558.db2.gz LQQRHZDHQXLRAQ-CHWSQXEVSA-N 0 3 253.390 2.161 20 30 CEEDHN C[C@@H](C#N)CN(C)Cc1ccc(OCCN(C)C)cc1 ZINC000611260859 347760240 /nfs/dbraw/zinc/76/02/40/347760240.db2.gz MDLFRRIPLQAYCX-AWEZNQCLSA-N 0 3 275.396 2.218 20 30 CEEDHN CCn1cnnc1CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000611587455 347797581 /nfs/dbraw/zinc/79/75/81/347797581.db2.gz BZWJQINIUBYCRM-NSHDSACASA-N 0 3 287.342 2.202 20 30 CEEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000611798272 347817534 /nfs/dbraw/zinc/81/75/34/347817534.db2.gz KQYWLYGDLGSBQC-MIUNTBIASA-N 0 3 267.394 2.012 20 30 CEEDHN C=CCOCCNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000611543884 347793312 /nfs/dbraw/zinc/79/33/12/347793312.db2.gz FEMGACXWVWHCHA-FNORWQNLSA-N 0 3 262.309 2.400 20 30 CEEDHN CN(CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1CC=CCC1 ZINC000612144497 347849688 /nfs/dbraw/zinc/84/96/88/347849688.db2.gz DWBGGCRCFKNGQH-CJNGLKHVSA-N 0 3 275.396 2.083 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000130168271 365930048 /nfs/dbraw/zinc/93/00/48/365930048.db2.gz DGGOVMJSVWXNDD-AWEZNQCLSA-N 0 3 250.386 2.307 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612366595 347874920 /nfs/dbraw/zinc/87/49/20/347874920.db2.gz SETXQBFXDNMEEZ-NFAWXSAZSA-N 0 3 263.385 2.011 20 30 CEEDHN C[C@H](C[S@](C)=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000612420319 347883131 /nfs/dbraw/zinc/88/31/31/347883131.db2.gz HQKJRBRJKWXPNF-VWCVUJCZSA-N 0 3 276.405 2.292 20 30 CEEDHN CC(C)(C#N)CNC1CCN(Cc2ccccn2)CC1 ZINC000612584862 347904591 /nfs/dbraw/zinc/90/45/91/347904591.db2.gz FDOBIBAABIBTQD-UHFFFAOYSA-N 0 3 272.396 2.185 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)OCC(C)C)CC1 ZINC000517982083 260330613 /nfs/dbraw/zinc/33/06/13/260330613.db2.gz AHSNCMVGUVPSRT-CQSZACIVSA-N 0 3 282.428 2.204 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2cnn(CC(F)(F)F)c2)C1 ZINC000613661020 348085978 /nfs/dbraw/zinc/08/59/78/348085978.db2.gz VHAXXOZAPHNXJH-ONGXEEELSA-N 0 3 272.274 2.227 20 30 CEEDHN COc1ccsc1[C@H](C)NC1CCN(CC#N)CC1 ZINC000613662223 348086670 /nfs/dbraw/zinc/08/66/70/348086670.db2.gz MKHVCSSXJAZFMI-NSHDSACASA-N 0 3 279.409 2.395 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CC[C@@H]3CCC[C@H]32)c1 ZINC000614600733 348221312 /nfs/dbraw/zinc/22/13/12/348221312.db2.gz FLQCMQWYNQQDIE-JKSUJKDBSA-N 0 3 283.375 2.049 20 30 CEEDHN Cc1ccnc(N(C)[C@H]2CCN(C)[C@@H](C)C2)c1C#N ZINC000273331823 192115743 /nfs/dbraw/zinc/11/57/43/192115743.db2.gz MEUHJAOEZVADBL-STQMWFEESA-N 0 3 258.369 2.181 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCN(C(C)(C)CO)CC1 ZINC000614963073 348260542 /nfs/dbraw/zinc/26/05/42/348260542.db2.gz RXYFGVLGTMPDBU-CQSZACIVSA-N 0 3 287.407 2.008 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000614963196 348260747 /nfs/dbraw/zinc/26/07/47/348260747.db2.gz QJEGBAPMCHMDLS-FHLIZLRMSA-N 0 3 299.418 2.150 20 30 CEEDHN C=C(Br)CN1CCC[C@@H]1CN1CCCC1 ZINC000066665170 362879844 /nfs/dbraw/zinc/87/98/44/362879844.db2.gz YCIJXSQLLBAFMD-GFCCVEGCSA-N 0 3 273.218 2.455 20 30 CEEDHN C=CCN(C(=O)[C@H](C)N1CCCCCC1)[C@H](C)COC ZINC000617578891 348742373 /nfs/dbraw/zinc/74/23/73/348742373.db2.gz SPJXHPCAFLERNB-CABCVRRESA-N 0 3 282.428 2.300 20 30 CEEDHN C=CCCNC(=O)CCN1CCc2ccccc2C1 ZINC000617617627 348751620 /nfs/dbraw/zinc/75/16/20/348751620.db2.gz OCBULZXAYJTZPH-UHFFFAOYSA-N 0 3 258.365 2.127 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC1CCOCC1 ZINC000617912614 348820931 /nfs/dbraw/zinc/82/09/31/348820931.db2.gz OECJFBKVNACHDS-AWEZNQCLSA-N 0 3 272.348 2.054 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357534854 233090469 /nfs/dbraw/zinc/09/04/69/233090469.db2.gz RFKKZVDNZQZRAO-IINYFYTJSA-N 0 3 286.335 2.361 20 30 CEEDHN C=CCC1(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CCOCC1 ZINC000618247080 348905853 /nfs/dbraw/zinc/90/58/53/348905853.db2.gz JNIKVPZJNSQVNC-QLFBSQMISA-N 0 3 294.439 2.489 20 30 CEEDHN C=CCOCCCNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000618524490 348966243 /nfs/dbraw/zinc/96/62/43/348966243.db2.gz GPXOSWLGMOISGR-INIZCTEOSA-N 0 3 290.407 2.388 20 30 CEEDHN C[C@H](Cn1cccn1)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618806054 349044666 /nfs/dbraw/zinc/04/46/66/349044666.db2.gz MZNUKPGUICAYSM-WBMJQRKESA-N 0 3 266.348 2.420 20 30 CEEDHN C=CCC1(NC(=O)CN2CC[C@@H](C)C2)CCCC1 ZINC000619111324 349121644 /nfs/dbraw/zinc/12/16/44/349121644.db2.gz ZDEZBUKUWFIGHM-CYBMUJFWSA-N 0 3 250.386 2.333 20 30 CEEDHN C=C(Br)CN[C@@H](C)[C@H](C)C(=O)OCC ZINC000273974986 192386175 /nfs/dbraw/zinc/38/61/75/192386175.db2.gz HXSSNZNPWBBOCE-IUCAKERBSA-N 0 3 264.163 2.072 20 30 CEEDHN CCOCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000619723050 349229899 /nfs/dbraw/zinc/22/98/99/349229899.db2.gz OMADADORARXPNZ-UHFFFAOYSA-N 0 3 273.380 2.365 20 30 CEEDHN C=CC(C)(C)CCNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000623721552 350092427 /nfs/dbraw/zinc/09/24/27/350092427.db2.gz DZTFWIPLIXAQAK-ZDUSSCGKSA-N 0 3 267.417 2.230 20 30 CEEDHN CN(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000411946465 233304693 /nfs/dbraw/zinc/30/46/93/233304693.db2.gz OZKNWUGYZIZHHH-YESZJQIVSA-N 0 3 297.402 2.214 20 30 CEEDHN CN1CC[C@@H](CNc2snc(Cl)c2C#N)C1 ZINC000271311268 191065826 /nfs/dbraw/zinc/06/58/26/191065826.db2.gz MNGBUUBFACNVBX-ZETCQYMHSA-N 0 3 256.762 2.032 20 30 CEEDHN COc1ccc(CN2CCC[C@@H](CO)[C@@H]2C)cc1C#N ZINC000412099016 233339327 /nfs/dbraw/zinc/33/93/27/233339327.db2.gz VYYPDPAOWDWYQT-JSGCOSHPSA-N 0 3 274.364 2.160 20 30 CEEDHN CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@H]1CCCN(C)C1 ZINC000412140636 233348417 /nfs/dbraw/zinc/34/84/17/233348417.db2.gz VGFDTAKUPBLPAI-YESZJQIVSA-N 0 3 297.402 2.214 20 30 CEEDHN C=CCSCCNCc1ccc2c(c1)OCCO2 ZINC000105462543 186058969 /nfs/dbraw/zinc/05/89/69/186058969.db2.gz PNENCDUQHHUZNU-UHFFFAOYSA-N 0 3 265.378 2.467 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCCN2CC)CC1 ZINC000106034063 186099765 /nfs/dbraw/zinc/09/97/65/186099765.db2.gz SGLHLMGXGCRDFX-MRXNPFEDSA-N 0 3 293.455 2.018 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2cccnc2)CC1 ZINC000106252988 186105116 /nfs/dbraw/zinc/10/51/16/186105116.db2.gz FQRUCMPYVSTDDJ-UHFFFAOYSA-N 0 3 274.368 2.244 20 30 CEEDHN CC(C)[C@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)N(C)C ZINC000106904816 186148232 /nfs/dbraw/zinc/14/82/32/186148232.db2.gz YXIPTOCCJLFPAJ-SWLSCSKDSA-N 0 3 273.380 2.322 20 30 CEEDHN COc1cccc([C@@H](CNc2cnc(C#N)cn2)N(C)C)c1 ZINC000106462561 186118591 /nfs/dbraw/zinc/11/85/91/186118591.db2.gz GFOPGOUFMFVOBO-OAHLLOKOSA-N 0 3 297.362 2.072 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000625699748 350549030 /nfs/dbraw/zinc/54/90/30/350549030.db2.gz GRDNZJQQCHSLOG-ZNMIVQPWSA-N 0 3 264.413 2.389 20 30 CEEDHN C=CC[C@@H]1CCN(CCCS(=O)(=O)C(C)C)C1 ZINC000625700183 350549045 /nfs/dbraw/zinc/54/90/45/350549045.db2.gz ICDFWLBXFDNAKJ-CYBMUJFWSA-N 0 3 259.415 2.098 20 30 CEEDHN COCCN1CCC(Nc2ccc(Cl)c(C#N)n2)CC1 ZINC000109129150 186244515 /nfs/dbraw/zinc/24/45/15/186244515.db2.gz JZEDWEDQQRIHGB-UHFFFAOYSA-N 0 3 294.786 2.129 20 30 CEEDHN CCN(CCC#N)C(=O)CN1[C@H](C)CCC[C@H]1C ZINC000108863967 186233954 /nfs/dbraw/zinc/23/39/54/186233954.db2.gz WLWLSVFZZOUKEN-CHWSQXEVSA-N 0 3 251.374 2.011 20 30 CEEDHN C=CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC000110968457 186338002 /nfs/dbraw/zinc/33/80/02/186338002.db2.gz HQOMIUAJLYJDRE-AWEZNQCLSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCN(C[C@@H](O)COCc1cccs1)C1CC1 ZINC000271406409 191119596 /nfs/dbraw/zinc/11/95/96/191119596.db2.gz MHVZSKYQGCYVRZ-CYBMUJFWSA-N 0 3 267.394 2.276 20 30 CEEDHN C[C@@H](O)[C@H]1CCCCN1CCOc1ccc(C#N)cc1 ZINC000069876933 363010031 /nfs/dbraw/zinc/01/00/31/363010031.db2.gz PXQOAMJOXDAKAD-CZUORRHYSA-N 0 3 274.364 2.172 20 30 CEEDHN C=C(C)[C@@H](CC(=O)NC[C@H]1CCN1C1CCCC1)OCC ZINC000628965052 351227517 /nfs/dbraw/zinc/22/75/17/351227517.db2.gz IKSCOOQWEWDYSV-HZPDHXFCSA-N 0 3 294.439 2.491 20 30 CEEDHN C[C@@H]1CSCCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000070219780 363056955 /nfs/dbraw/zinc/05/69/55/363056955.db2.gz QGCZIZWNVOXHRA-GFCCVEGCSA-N 0 3 289.404 2.324 20 30 CEEDHN C=CCN1CC[C@H](N2CC[C@@H](C)C3(CCC3)C2)C1=O ZINC000337170779 366049323 /nfs/dbraw/zinc/04/93/23/366049323.db2.gz DERSPFKTVRJZNO-KGLIPLIRSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC[C@H](OCCC)CC2)C1=O ZINC000337172709 366050548 /nfs/dbraw/zinc/05/05/48/366050548.db2.gz GSXYIZGHADMBBD-LSDHHAIUSA-N 0 3 280.412 2.054 20 30 CEEDHN C=CCN1CC[C@@H](N2C[C@@H](C)CC(C)(C)C2)C1=O ZINC000337205808 366074088 /nfs/dbraw/zinc/07/40/88/366074088.db2.gz LGKCJBSFUGESCE-QWHCGFSZSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@@H](C)CCSCC)C1=O ZINC000337197719 366069677 /nfs/dbraw/zinc/06/96/77/366069677.db2.gz YWVQIOKVABHQCY-STQMWFEESA-N 0 3 270.442 2.237 20 30 CEEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3n2C)cnn1C ZINC000122883940 187057810 /nfs/dbraw/zinc/05/78/10/187057810.db2.gz AYPVFRNJNMBDMA-NSHDSACASA-N 0 3 293.330 2.105 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](Cc2ccccc2)C1 ZINC000124172417 187125004 /nfs/dbraw/zinc/12/50/04/187125004.db2.gz NFNDLAJKJJFRFK-GDBMZVCRSA-N 0 3 272.392 2.242 20 30 CEEDHN C[C@H]1C[C@H](N(C)C(=O)c2cccc(C#N)c2)CCN1C ZINC000123407261 187089799 /nfs/dbraw/zinc/08/97/99/187089799.db2.gz LNHHXVCRSQKPKM-SWLSCSKDSA-N 0 3 271.364 2.113 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(CC(F)(F)F)cc1 ZINC000631177479 352002073 /nfs/dbraw/zinc/00/20/73/352002073.db2.gz OOFVHKMVXMSCPE-GFCCVEGCSA-N 0 3 259.271 2.428 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cccc(OC)c1F ZINC000669684290 539914789 /nfs/dbraw/zinc/91/47/89/539914789.db2.gz WMWJOTNGLQBIED-LLVKDONJSA-N 0 3 253.317 2.109 20 30 CEEDHN N#Cc1ccc(O[C@H]2CCN(CCCCF)C2)nc1 ZINC000292158120 198185519 /nfs/dbraw/zinc/18/55/19/198185519.db2.gz KSIIGXRUJGNVQC-ZDUSSCGKSA-N 0 3 263.316 2.156 20 30 CEEDHN C#CCSCCNCc1cccc2c1OCCCO2 ZINC000152940873 188054031 /nfs/dbraw/zinc/05/40/31/188054031.db2.gz LQCAUBRESYNPIG-UHFFFAOYSA-N 0 3 277.389 2.304 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000152949258 188055094 /nfs/dbraw/zinc/05/50/94/188055094.db2.gz SARRSXTVKPPTLP-JSGCOSHPSA-N 0 3 262.397 2.496 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H]([C@@H]3CCOC3)C2)s1 ZINC000336440885 213305082 /nfs/dbraw/zinc/30/50/82/213305082.db2.gz UVWQAPZTJADBPG-VXGBXAGGSA-N 0 3 262.378 2.478 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)CC#N)CCN1Cc1ccccc1 ZINC000156978147 188290347 /nfs/dbraw/zinc/29/03/47/188290347.db2.gz HYPXRSXOKYLWPU-ZBFHGGJFSA-N 0 3 257.381 2.495 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@@H](N)CC(C)C ZINC000157595015 188326801 /nfs/dbraw/zinc/32/68/01/188326801.db2.gz CZOBKDMFHIRMAW-AWEZNQCLSA-N 0 3 276.380 2.241 20 30 CEEDHN C=CCN1CCC(NC(=O)C2C(C)(C)C2(C)C)CC1 ZINC000073436553 363218137 /nfs/dbraw/zinc/21/81/37/363218137.db2.gz QEKBPGTYCPOCNN-UHFFFAOYSA-N 0 3 264.413 2.435 20 30 CEEDHN C=CCN1CC[C@H](N[C@@H]2[C@@H](C)[C@@H](OC)C2(CC)CC)C1=O ZINC000337259697 366109844 /nfs/dbraw/zinc/10/98/44/366109844.db2.gz VODJGJAALDYFLU-LXTVHRRPSA-N 0 3 294.439 2.203 20 30 CEEDHN Cn1cc(CN[C@@H]2CCC[C@@H]2OC(F)F)cc1C#N ZINC000337282232 366123130 /nfs/dbraw/zinc/12/31/30/366123130.db2.gz IEDJEXDTKJPMSO-NEPJUHHUSA-N 0 3 269.295 2.147 20 30 CEEDHN COc1cc(C(=O)C(C#N)c2ccccn2)cc(C)n1 ZINC000337350279 366143296 /nfs/dbraw/zinc/14/32/96/366143296.db2.gz RVGCVCXGSGCYTN-GFCCVEGCSA-N 0 3 267.288 2.284 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC1CC1)C(C)C ZINC000074453771 363342176 /nfs/dbraw/zinc/34/21/76/363342176.db2.gz DTFAZKDIQKCIFA-CQSZACIVSA-N 0 3 265.401 2.147 20 30 CEEDHN CCN(Cc1ccc(C(=O)N(C)CC#N)cc1)C1CC1 ZINC000337527328 366158856 /nfs/dbraw/zinc/15/88/56/366158856.db2.gz BYVOWIBVQREQSW-UHFFFAOYSA-N 0 3 271.364 2.266 20 30 CEEDHN COc1ccc(C2CC(NC(=O)C(C)C#N)C2)cc1F ZINC000337635631 366166785 /nfs/dbraw/zinc/16/67/85/366166785.db2.gz FNGRZOLCRCLMSJ-GCVQQVDUSA-N 0 3 276.311 2.356 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000338118691 366198048 /nfs/dbraw/zinc/19/80/48/366198048.db2.gz RFMKQVADUBAAMR-IUODEOHRSA-N 0 3 283.375 2.175 20 30 CEEDHN N#CC1(CCN2CCC[C@]3(CNC(=O)C3)C2)CCCCC1 ZINC000334566408 283045691 /nfs/dbraw/zinc/04/56/91/283045691.db2.gz VZHAZQSUKUEPCN-KRWDZBQOSA-N 0 3 289.423 2.453 20 30 CEEDHN Cc1noc([C@@H]2CCCN(CCCSCC#N)C2)n1 ZINC000074982141 363429520 /nfs/dbraw/zinc/42/95/20/363429520.db2.gz IJTSAJCUCYQPMX-GFCCVEGCSA-N 0 3 280.397 2.204 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN[C@H](CCO)c2ccccc2)cc1 ZINC000271776509 191319273 /nfs/dbraw/zinc/31/92/73/191319273.db2.gz OOHANYHHUBDHLH-MSOLQXFVSA-N 0 3 296.370 2.305 20 30 CEEDHN N#Cc1c(N2CC[C@H](N3CCCCC3)C2)nc2ccccn12 ZINC000272954286 283080046 /nfs/dbraw/zinc/08/00/46/283080046.db2.gz YINQRVYBQHDTOG-AWEZNQCLSA-N 0 3 295.390 2.271 20 30 CEEDHN CN1CC=C(CNc2c(C#N)nnc3ccccc32)CC1 ZINC000271792141 191329370 /nfs/dbraw/zinc/32/93/70/191329370.db2.gz JIPKWYRRDBBJHC-UHFFFAOYSA-N 0 3 279.347 2.175 20 30 CEEDHN CS[C@H](CO)[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000271875964 191384073 /nfs/dbraw/zinc/38/40/73/191384073.db2.gz OAGCHYUPJOUMES-UHIISALHSA-N 0 3 264.394 2.321 20 30 CEEDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000338297716 366281250 /nfs/dbraw/zinc/28/12/50/366281250.db2.gz QYLQYVYRMWBBBS-GHMZBOCLSA-N 0 3 278.327 2.375 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]2CCC[C@@H]21 ZINC000075769468 363488622 /nfs/dbraw/zinc/48/86/22/363488622.db2.gz LZOTZXRBFBAKAI-YCPHGPKFSA-N 0 3 277.412 2.305 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC[C@@](C)(CC)C1 ZINC000075998928 363506036 /nfs/dbraw/zinc/50/60/36/363506036.db2.gz ZQALWSAMXXBJMP-OAHLLOKOSA-N 0 3 265.401 2.261 20 30 CEEDHN C=CCCCN(C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000076738362 363543926 /nfs/dbraw/zinc/54/39/26/363543926.db2.gz BPZGIUBGADDWCF-OAHLLOKOSA-N 0 3 288.391 2.004 20 30 CEEDHN C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)C(=O)N(C)C ZINC000336329740 213175054 /nfs/dbraw/zinc/17/50/54/213175054.db2.gz KFBYMBMOIPHSIO-MLGOLLRUSA-N 0 3 285.391 2.392 20 30 CEEDHN N#Cc1cccnc1N1CCC[C@@H]1CN1CCCCC1 ZINC000160452269 283218135 /nfs/dbraw/zinc/21/81/35/283218135.db2.gz CTQKWINZKBABGE-OAHLLOKOSA-N 0 3 270.380 2.408 20 30 CEEDHN C[C@H](C#N)CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000577944848 366419238 /nfs/dbraw/zinc/41/92/38/366419238.db2.gz UNXPHABBNPJHTE-IPYPFGDCSA-N 0 3 288.395 2.137 20 30 CEEDHN N#CCNC(=O)CN1CCC[C@H]1CCCc1ccccc1 ZINC000135366434 366433036 /nfs/dbraw/zinc/43/30/36/366433036.db2.gz VLPPSBVRQQFRMV-MRXNPFEDSA-N 0 3 285.391 2.113 20 30 CEEDHN C[C@@H]1CN(CCCOc2cccc(C#N)c2)C[C@@H](C)N1C ZINC000135273281 366419811 /nfs/dbraw/zinc/41/98/11/366419811.db2.gz AUDDHNMITBYJGH-HUUCEWRRSA-N 0 3 287.407 2.352 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000135269338 366420229 /nfs/dbraw/zinc/42/02/29/366420229.db2.gz DLRJDHWSRXCUCH-BETUJISGSA-N 0 3 273.380 2.091 20 30 CEEDHN CN1CCC[C@H](CNC(=O)Nc2cccc(CC#N)c2)C1 ZINC000578156043 366452945 /nfs/dbraw/zinc/45/29/45/366452945.db2.gz GBZXCHJVYBBJTK-CQSZACIVSA-N 0 3 286.379 2.216 20 30 CEEDHN COc1cc(CN(C)CC(C)(C)CO)ccc1C#N ZINC000294904372 199241121 /nfs/dbraw/zinc/24/11/21/199241121.db2.gz XOLVCQRQRDZBQL-UHFFFAOYSA-N 0 3 262.353 2.017 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC2(F)F)CC1 ZINC000672839753 540641523 /nfs/dbraw/zinc/64/15/23/540641523.db2.gz OEMAPFVMBGGEGX-GFCCVEGCSA-N 0 3 287.354 2.124 20 30 CEEDHN COC(=O)c1occc1CNCC(C)(C)CCC#N ZINC000578802953 366550060 /nfs/dbraw/zinc/55/00/60/366550060.db2.gz CBPVXZDEDYUDTL-UHFFFAOYSA-N 0 3 264.325 2.486 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000578724823 366539032 /nfs/dbraw/zinc/53/90/32/366539032.db2.gz GEOLVFNNXJHDAG-ZQNQSHIBSA-N 0 3 280.412 2.003 20 30 CEEDHN C#CCCCCNCc1nccn1CC(F)(F)F ZINC000150731199 366593527 /nfs/dbraw/zinc/59/35/27/366593527.db2.gz IKRPNZYNJFMUMA-UHFFFAOYSA-N 0 3 259.275 2.339 20 30 CEEDHN CCCNC(=O)CCCN(C)Cc1cccc(C#N)c1 ZINC000297858875 200293477 /nfs/dbraw/zinc/29/34/77/200293477.db2.gz LUHGPLXKVKGEPK-UHFFFAOYSA-N 0 3 273.380 2.296 20 30 CEEDHN N#CCC[C@@H](C#N)CNC1CCN(c2nccs2)CC1 ZINC000579630250 366676521 /nfs/dbraw/zinc/67/65/21/366676521.db2.gz UQQXHHNOEGKIDR-LBPRGKRZSA-N 0 3 289.408 2.145 20 30 CEEDHN Cn1cncc1CCNC1(c2cccc(C#N)c2)CC1 ZINC000298228172 200366693 /nfs/dbraw/zinc/36/66/93/200366693.db2.gz BAZIYFHVITYDGY-UHFFFAOYSA-N 0 3 266.348 2.113 20 30 CEEDHN CC(C)OCC[C@@H](O)CNC1(c2cccc(C#N)c2)CC1 ZINC000341958636 216165860 /nfs/dbraw/zinc/16/58/60/216165860.db2.gz CIJKWKHZONEIQE-MRXNPFEDSA-N 0 3 288.391 2.313 20 30 CEEDHN N#Cc1ccccc1CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000335835425 212592465 /nfs/dbraw/zinc/59/24/65/212592465.db2.gz JXZQNAULUQRFEY-HZPDHXFCSA-N 0 3 256.349 2.417 20 30 CEEDHN C=C(C)COCCNCc1ccc(C(=O)NC2CC2)cc1 ZINC000675552092 540852723 /nfs/dbraw/zinc/85/27/23/540852723.db2.gz FWDYIEIKNSOZRF-UHFFFAOYSA-N 0 3 288.391 2.261 20 30 CEEDHN C=CCC[C@H](O)CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000675975587 540886897 /nfs/dbraw/zinc/88/68/97/540886897.db2.gz RTQWAMHZGBZDAA-ZDUSSCGKSA-N 0 3 271.364 2.289 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](O)Cc2ccccc2)c(F)c1 ZINC000342190013 216251430 /nfs/dbraw/zinc/25/14/30/216251430.db2.gz JEMAVCCLRBPZFE-INIZCTEOSA-N 0 3 284.334 2.391 20 30 CEEDHN C=CCNC(=O)CN[C@H]1CCCc2cc(F)ccc21 ZINC000180036248 189233585 /nfs/dbraw/zinc/23/35/85/189233585.db2.gz KNTNINGCQCFOTG-AWEZNQCLSA-N 0 3 262.328 2.095 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1CCCCc2ccccc21 ZINC000180037402 189233965 /nfs/dbraw/zinc/23/39/65/189233965.db2.gz CHRYJGYHEQPSBI-OAHLLOKOSA-N 0 3 258.365 2.346 20 30 CEEDHN C=C(C)[C@H](CO)N(C)CCOc1ccc(F)cc1 ZINC000677047017 540975536 /nfs/dbraw/zinc/97/55/36/540975536.db2.gz OTDNQZYUFBMYIC-AWEZNQCLSA-N 0 3 253.317 2.073 20 30 CEEDHN CCC#C[C@H](C)N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000677047705 540975812 /nfs/dbraw/zinc/97/58/12/540975812.db2.gz GJZFAGQGHPGZHM-LSDHHAIUSA-N 0 3 264.413 2.273 20 30 CEEDHN C=CCOCCN(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000339176778 366691911 /nfs/dbraw/zinc/69/19/11/366691911.db2.gz USEUPIAQFQNMTO-UHFFFAOYSA-N 0 3 298.390 2.434 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NCC1(C#N)CC1 ZINC000579789758 366700789 /nfs/dbraw/zinc/70/07/89/366700789.db2.gz NDWDDLUOMFZPLI-GOEBONIOSA-N 0 3 269.392 2.400 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CC(=O)NCc1cccc(C#N)c1 ZINC000342339088 216315016 /nfs/dbraw/zinc/31/50/16/216315016.db2.gz NKADIUMJRSAWRM-OKILXGFUSA-N 0 3 285.391 2.437 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc(C#N)o1 ZINC000340043779 366751676 /nfs/dbraw/zinc/75/16/76/366751676.db2.gz ACKWYWDFIRYNLA-VXGBXAGGSA-N 0 3 275.352 2.144 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000580276916 366773606 /nfs/dbraw/zinc/77/36/06/366773606.db2.gz INMITTSAGVAMES-DFBGVHRSSA-N 0 3 289.375 2.452 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000678049470 541072348 /nfs/dbraw/zinc/07/23/48/541072348.db2.gz KQAKPHNKLZTAFF-HZPDHXFCSA-N 0 3 260.381 2.500 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2csc(C)n2)CC1 ZINC000678051745 541072766 /nfs/dbraw/zinc/07/27/66/541072766.db2.gz CGMJPSTWZKFEDG-UHFFFAOYSA-N 0 3 280.397 2.223 20 30 CEEDHN Cc1nc(CCNCc2cccc(C#N)c2)c(C)o1 ZINC000340194890 366799139 /nfs/dbraw/zinc/79/91/39/366799139.db2.gz OVQIUCWUDAWIKX-UHFFFAOYSA-N 0 3 255.321 2.495 20 30 CEEDHN Cc1[nH]nc2ncc(CNCc3cccc(C#N)c3)cc12 ZINC000340197860 366800660 /nfs/dbraw/zinc/80/06/60/366800660.db2.gz PINOJAXWCJAGNB-UHFFFAOYSA-N 0 3 277.331 2.428 20 30 CEEDHN CNC(=O)c1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000020093289 361578789 /nfs/dbraw/zinc/57/87/89/361578789.db2.gz FAKYWIYWIAPXLZ-UHFFFAOYSA-N 0 3 279.343 2.208 20 30 CEEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000678759245 541169493 /nfs/dbraw/zinc/16/94/93/541169493.db2.gz PIPKHZPDJGMIDX-QWHCGFSZSA-N 0 3 294.420 2.047 20 30 CEEDHN C[C@H](C1CC1)N(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000029725281 361689429 /nfs/dbraw/zinc/68/94/29/361689429.db2.gz FAPNWWPZDAITEW-BZNIZROVSA-N 0 3 275.396 2.058 20 30 CEEDHN CS[C@H]1CN(Cc2ccc(C#N)cc2F)C[C@@H]1N(C)C ZINC000342554811 216399864 /nfs/dbraw/zinc/39/98/64/216399864.db2.gz RQVTZJGYNXLDJU-GJZGRUSLSA-N 0 3 293.411 2.175 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C)[C@H](F)C2)CC1 ZINC000679295386 541246546 /nfs/dbraw/zinc/24/65/46/541246546.db2.gz PQYMXURDOQOOBJ-TZMCWYRMSA-N 0 3 283.391 2.026 20 30 CEEDHN C=CCN(CC(=O)NCCOCC)CC1CCCCC1 ZINC000084694787 363820329 /nfs/dbraw/zinc/82/03/29/363820329.db2.gz ICSHRVFHSIVMFI-UHFFFAOYSA-N 0 3 282.428 2.207 20 30 CEEDHN C=C(C)COCCN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000090451041 364058058 /nfs/dbraw/zinc/05/80/58/364058058.db2.gz MFIWYNGMSXMTCZ-ZDUSSCGKSA-N 0 3 297.420 2.333 20 30 CEEDHN C[C@H]1C[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])CCN1C ZINC000090795179 364064343 /nfs/dbraw/zinc/06/43/43/364064343.db2.gz YHYOBUDGHRUUNC-JQWIXIFHSA-N 0 3 274.324 2.361 20 30 CEEDHN C=CCOc1ccccc1CN1CCC[C@H](C(=O)NC)C1 ZINC000093360821 364172062 /nfs/dbraw/zinc/17/20/62/364172062.db2.gz SLKIVRJPJZZQJD-HNNXBMFYSA-N 0 3 288.391 2.209 20 30 CEEDHN CC(C#N)C(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000334899619 364285892 /nfs/dbraw/zinc/28/58/92/364285892.db2.gz HLMQHNXPSAOHLT-SSDOTTSWSA-N 0 3 256.227 2.222 20 30 CEEDHN CN(C)CCN(C(=O)c1ccc(C#N)o1)C1CCCC1 ZINC000340288977 366837506 /nfs/dbraw/zinc/83/75/06/366837506.db2.gz DSLBFVKIDOGKDY-UHFFFAOYSA-N 0 3 275.352 2.098 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)COC(C)C ZINC000097506340 364507454 /nfs/dbraw/zinc/50/74/54/364507454.db2.gz ZIKFMRHFNXIJRA-INIZCTEOSA-N 0 3 293.407 2.469 20 30 CEEDHN CC(C)C(=O)NC[C@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000157904859 366851194 /nfs/dbraw/zinc/85/11/94/366851194.db2.gz ZXTHRMKXIYHXCL-CQSZACIVSA-N 0 3 279.428 2.410 20 30 CEEDHN C[C@H](C#N)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000335345188 364690033 /nfs/dbraw/zinc/69/00/33/364690033.db2.gz PBVVJQQHGOIATF-HUUCEWRRSA-N 0 3 285.391 2.269 20 30 CEEDHN N#CCCC1CCN(C(=O)C2(N)CCCCC2)CC1 ZINC000335420626 364713552 /nfs/dbraw/zinc/71/35/52/364713552.db2.gz BLUOBBDVHDWTOX-UHFFFAOYSA-N 0 3 263.385 2.190 20 30 CEEDHN CN1CCC2(CCCN2C(=O)NCC(C)(C)CC#N)CC1 ZINC000335588283 364809270 /nfs/dbraw/zinc/80/92/70/364809270.db2.gz DKBWRHRZZRXWPW-UHFFFAOYSA-N 0 3 292.427 2.196 20 30 CEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)NCC(C)(C)CC#N)C1 ZINC000335588838 364809667 /nfs/dbraw/zinc/80/96/67/364809667.db2.gz HBVTVNRJFINVRJ-ZIAGYGMSSA-N 0 3 292.427 2.052 20 30 CEEDHN Cn1cc(CN2CCC[C@@]3(CCCOC3)C2)cc1C#N ZINC000335745549 364920628 /nfs/dbraw/zinc/92/06/28/364920628.db2.gz STPUOUCSGWSBJX-MRXNPFEDSA-N 0 3 273.380 2.289 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H]1CCc2c1cc(F)cc2F ZINC000680470683 541416932 /nfs/dbraw/zinc/41/69/32/541416932.db2.gz MPAXYCRLSZIHJW-IINYFYTJSA-N 0 3 253.292 2.479 20 30 CEEDHN C=CC[C@H](CO)NCc1c[nH]nc1-c1cccc(OC)c1 ZINC000680484975 541418776 /nfs/dbraw/zinc/41/87/76/541418776.db2.gz SQWPONWETYYRAA-CQSZACIVSA-N 0 3 287.363 2.112 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(OC)cc1OC(F)F ZINC000680484152 541418898 /nfs/dbraw/zinc/41/88/98/541418898.db2.gz GIOONANFSYIUHM-LLVKDONJSA-N 0 3 287.306 2.323 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](C(C)C)CC1 ZINC000114729568 364961398 /nfs/dbraw/zinc/96/13/98/364961398.db2.gz IIKZRUFWHOFXSJ-KBPBESRZSA-N 0 3 295.427 2.145 20 30 CEEDHN C=CCNC(=O)CN1C[C@H](c2ccccc2)C[C@H]1C ZINC000115554848 365013662 /nfs/dbraw/zinc/01/36/62/365013662.db2.gz NVKRFMYPSFMCDD-UKRRQHHQSA-N 0 3 258.365 2.167 20 30 CEEDHN C[C@H](CO)[C@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC000119168396 365229183 /nfs/dbraw/zinc/22/91/83/365229183.db2.gz WCPWIAWPHLTSSH-SQHUISNBSA-N 0 3 258.365 2.217 20 30 CEEDHN C[C@H]1CN(Cc2cccc(C#N)c2F)[C@@H](C)CN1C ZINC000335951400 365207922 /nfs/dbraw/zinc/20/79/22/365207922.db2.gz VXBGHFAXWKDSST-RYUDHWBXSA-N 0 3 261.344 2.222 20 30 CEEDHN C[C@@H](NC1CCN(C)CC1)c1ccc(C#N)cc1F ZINC000335982165 365250794 /nfs/dbraw/zinc/25/07/94/365250794.db2.gz RIIWKOKCPLQEPZ-LLVKDONJSA-N 0 3 261.344 2.442 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C#N)cc2)CN1C1CC1 ZINC000119842143 365333268 /nfs/dbraw/zinc/33/32/68/365333268.db2.gz XLUGLPOYQPHXEZ-BXUZGUMPSA-N 0 3 284.363 2.305 20 30 CEEDHN C=CCOc1cccc(CNC[C@](C)(O)CSC)c1 ZINC000120697126 365462775 /nfs/dbraw/zinc/46/27/75/365462775.db2.gz GOPGKNVQPNYJAY-HNNXBMFYSA-N 0 3 281.421 2.455 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H](CC)c1ccc(OC)cc1 ZINC000121076609 365520084 /nfs/dbraw/zinc/52/00/84/365520084.db2.gz AGCDWDRJEZTHBQ-SWLSCSKDSA-N 0 3 276.380 2.427 20 30 CEEDHN CCc1nnc(NC2CCN(CC)CC2)c(C#N)c1CC ZINC000120801001 365477086 /nfs/dbraw/zinc/47/70/86/365477086.db2.gz QMUJIZMEYXYZPN-UHFFFAOYSA-N 0 3 287.411 2.369 20 30 CEEDHN COC[C@@H]1CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000120961805 365503570 /nfs/dbraw/zinc/50/35/70/365503570.db2.gz VBMJTWUNHIWYHB-CQSZACIVSA-N 0 3 274.364 2.425 20 30 CEEDHN CC(C#N)C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000336171044 365508146 /nfs/dbraw/zinc/50/81/46/365508146.db2.gz YJNVAHJCDMZNJB-NSHDSACASA-N 0 3 250.342 2.096 20 30 CEEDHN N#CC(C(=O)NC[C@@H]1CCCO1)c1nccc2ccccc21 ZINC000582394037 366904522 /nfs/dbraw/zinc/90/45/22/366904522.db2.gz FQELBIOIYFICNA-DZGCQCFKSA-N 0 3 295.342 2.137 20 30 CEEDHN C[C@@H](CCC#N)N1CCC(N2CCCCC2=O)CC1 ZINC000582423928 366910119 /nfs/dbraw/zinc/91/01/19/366910119.db2.gz PXHOURFKJCRLJR-ZDUSSCGKSA-N 0 3 263.385 2.156 20 30 CEEDHN N#Cc1cnn2cc(CN3CC[C@H](CC4CC4)C3)cnc12 ZINC000582905212 366975046 /nfs/dbraw/zinc/97/50/46/366975046.db2.gz HJRNMSMAJOOJLM-CYBMUJFWSA-N 0 3 281.363 2.223 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H](CCO)C(C)C ZINC000162294818 367149449 /nfs/dbraw/zinc/14/94/49/367149449.db2.gz FCFZJZCDAKXCOH-CQSZACIVSA-N 0 3 262.353 2.063 20 30 CEEDHN C=CC[C@H](CO)CNCc1cc(-c2ccccc2)n[nH]1 ZINC000341296357 367274860 /nfs/dbraw/zinc/27/48/60/367274860.db2.gz JKEUOWSTLUYHCX-ZDUSSCGKSA-N 0 3 271.364 2.351 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CC=CC2)cc1 ZINC000619298082 367235696 /nfs/dbraw/zinc/23/56/96/367235696.db2.gz LSWPSBALWINGNQ-CQSZACIVSA-N 0 3 265.316 2.075 20 30 CEEDHN CCOC1CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000341247681 367243997 /nfs/dbraw/zinc/24/39/97/367243997.db2.gz SCRPLKIFCDXNQX-CQSZACIVSA-N 0 3 272.348 2.006 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cnn(Cc2ccccc2)c1 ZINC000341260389 367253384 /nfs/dbraw/zinc/25/33/84/367253384.db2.gz NBEVMLZTSYKPHA-MRXNPFEDSA-N 0 3 285.391 2.206 20 30 CEEDHN Cn1cc(CNCCSCc2ccccc2C#N)cn1 ZINC000170670826 367395744 /nfs/dbraw/zinc/39/57/44/367395744.db2.gz QAFIPUBDMTZKGB-UHFFFAOYSA-N 0 3 286.404 2.315 20 30 CEEDHN C=CCCN(C)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000342447455 367410017 /nfs/dbraw/zinc/41/00/17/367410017.db2.gz ZTFFSDCATIWDAU-UHFFFAOYSA-N 0 3 265.401 2.244 20 30 CEEDHN CSc1ccc([C@@H](CNC(=O)[C@H](C)C#N)N(C)C)cc1 ZINC000341578530 367369439 /nfs/dbraw/zinc/36/94/39/367369439.db2.gz WHVRTIAFKOWESJ-BXUZGUMPSA-N 0 3 291.420 2.287 20 30 CEEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCCOC1 ZINC000342648161 367468170 /nfs/dbraw/zinc/46/81/70/367468170.db2.gz AGFIPQDPBOCIRW-KRWDZBQOSA-N 0 3 288.391 2.433 20 30 CEEDHN C#CCNC(=O)[C@H](C)Nc1cccc2c1CN(CCCC)C2 ZINC000171124453 367483194 /nfs/dbraw/zinc/48/31/94/367483194.db2.gz QMSWEMIPPZZOIZ-AWEZNQCLSA-N 0 3 299.418 2.352 20 30 CEEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1nnc(C2CCOCC2)[n-]1 ZINC000631697111 367489524 /nfs/dbraw/zinc/48/95/24/367489524.db2.gz XGPZXLGPWBNSQM-VXGBXAGGSA-N 0 3 278.400 2.389 20 30 CEEDHN C=CC[C@@H](C)[C@@H](C)NCc1nnc(C2CCOCC2)[nH]1 ZINC000631697111 367489529 /nfs/dbraw/zinc/48/95/29/367489529.db2.gz XGPZXLGPWBNSQM-VXGBXAGGSA-N 0 3 278.400 2.389 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)CC[C@H]1CCCO1 ZINC000342603375 367446395 /nfs/dbraw/zinc/44/63/95/367446395.db2.gz MJWSODAXIDXQDO-LSDHHAIUSA-N 0 3 280.412 2.076 20 30 CEEDHN CN(CCNc1ccnc(C#N)c1)Cc1ccc(F)cc1 ZINC000342793501 367539505 /nfs/dbraw/zinc/53/95/05/367539505.db2.gz ZUGVOSCKERAMLY-UHFFFAOYSA-N 0 3 284.338 2.058 20 30 CEEDHN CC#CCCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000681538726 541564680 /nfs/dbraw/zinc/56/46/80/541564680.db2.gz QKJPMEZWABNLNY-QGZVFWFLSA-N 0 3 299.418 2.316 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000171718912 367602455 /nfs/dbraw/zinc/60/24/55/367602455.db2.gz SURCZBGDCBDCPE-VOTSOKGWSA-N 0 3 295.386 2.338 20 30 CEEDHN CC(C)C[C@H](CNC(=O)c1cccc(CC#N)c1)N(C)C ZINC000172198595 367697178 /nfs/dbraw/zinc/69/71/78/367697178.db2.gz SZEPSLWUAWREHC-MRXNPFEDSA-N 0 3 287.407 2.459 20 30 CEEDHN C[C@@H](NCCc1cccc(C#N)c1)c1cnn(C)c1 ZINC000343510130 367853401 /nfs/dbraw/zinc/85/34/01/367853401.db2.gz KDIZGYJEMSHINZ-GFCCVEGCSA-N 0 3 254.337 2.185 20 30 CEEDHN C=CCCOCCCCC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343457503 367827648 /nfs/dbraw/zinc/82/76/48/367827648.db2.gz QVCRUCYUACMONR-CABCVRRESA-N 0 3 282.428 2.348 20 30 CEEDHN CCN(CCC#N)C(=O)[C@@H]1CCCN1C1CCCC1 ZINC000343776006 367997893 /nfs/dbraw/zinc/99/78/93/367997893.db2.gz QZFWOAOIHRIMDA-AWEZNQCLSA-N 0 3 263.385 2.156 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)N(CC#N)C1CCCC1 ZINC000343662524 367944228 /nfs/dbraw/zinc/94/42/28/367944228.db2.gz RGAYCPGPYMJKEL-STQMWFEESA-N 0 3 263.385 2.154 20 30 CEEDHN CSCCCN(C)Cc1cnc2ccc(C#N)cn12 ZINC000343668279 367946182 /nfs/dbraw/zinc/94/61/82/367946182.db2.gz AGFDPRBBEDJFQK-UHFFFAOYSA-N 0 3 274.393 2.391 20 30 CEEDHN COCCOC[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC000174111205 367984968 /nfs/dbraw/zinc/98/49/68/367984968.db2.gz LKKVBPNXNMRRFU-CQSZACIVSA-N 0 3 274.364 2.043 20 30 CEEDHN C[C@H](NCC(=O)NCC#N)c1ccc(F)c2ccccc21 ZINC000344063384 368105564 /nfs/dbraw/zinc/10/55/64/368105564.db2.gz NMNQPCYTVRIWKD-NSHDSACASA-N 0 3 285.322 2.269 20 30 CEEDHN C=CCOCC(=O)N(CCC)CCN1CCCCCC1 ZINC000345336508 368238973 /nfs/dbraw/zinc/23/89/73/368238973.db2.gz GDOQLUBFFHWLNV-UHFFFAOYSA-N 0 3 282.428 2.304 20 30 CEEDHN CCNC(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000180514528 368384916 /nfs/dbraw/zinc/38/49/16/368384916.db2.gz GVARGNPONWJQPE-QMMMGPOBSA-N 0 3 278.262 2.175 20 30 CEEDHN C#CCOc1ccccc1CN1CC[C@@H](O)C(C)(C)C1 ZINC000275983145 193179478 /nfs/dbraw/zinc/17/94/78/193179478.db2.gz MSYYCXZSIMDFCO-MRXNPFEDSA-N 0 3 273.376 2.291 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000181094374 368420816 /nfs/dbraw/zinc/42/08/16/368420816.db2.gz XWKAQUCCLOWFOZ-ZIAGYGMSSA-N 0 3 267.417 2.467 20 30 CEEDHN C[C@@H](NCCSCCCO)c1cccc(C#N)c1 ZINC000181713387 368486014 /nfs/dbraw/zinc/48/60/14/368486014.db2.gz UOIGOVBMTOVJCM-GFCCVEGCSA-N 0 3 264.394 2.324 20 30 CEEDHN Cc1noc(CCN[C@H](C)c2cccc(C#N)c2)n1 ZINC000181927553 368506746 /nfs/dbraw/zinc/50/67/46/368506746.db2.gz DDJPVMNBAOFBAT-SNVBAGLBSA-N 0 3 256.309 2.143 20 30 CEEDHN C#CCCOc1ccc(CNCC(C)(C)C(=O)OC)cc1 ZINC000182227471 368538335 /nfs/dbraw/zinc/53/83/35/368538335.db2.gz NTVWCDAYLDHJPS-UHFFFAOYSA-N 0 3 289.375 2.378 20 30 CEEDHN COC(=O)[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000265537521 284066204 /nfs/dbraw/zinc/06/62/04/284066204.db2.gz QSWPDMADHWHBAO-SMDDNHRTSA-N 0 3 258.321 2.114 20 30 CEEDHN CC(=O)NC1CCC(N(C)Cc2cc(C#N)cs2)CC1 ZINC000346256553 368608748 /nfs/dbraw/zinc/60/87/48/368608748.db2.gz UYPWXFFUQCXFGQ-UHFFFAOYSA-N 0 3 291.420 2.499 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NCC1(SC)CCN(C)CC1 ZINC000358128980 370917316 /nfs/dbraw/zinc/91/73/16/370917316.db2.gz SFYUOFHKTWPONO-CYBMUJFWSA-N 0 3 299.484 2.468 20 30 CEEDHN CO[C@@H](CNC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000358198909 370948244 /nfs/dbraw/zinc/94/82/44/370948244.db2.gz QVJYPTAOXGFFSM-CVEARBPZSA-N 0 3 286.375 2.300 20 30 CEEDHN CC(C)N(CCN(C)C)c1ncc(C#N)cc1Cl ZINC000185440938 368807104 /nfs/dbraw/zinc/80/71/04/368807104.db2.gz QPMRGYHTKQAGBM-UHFFFAOYSA-N 0 3 266.776 2.383 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000347731137 368818026 /nfs/dbraw/zinc/81/80/26/368818026.db2.gz ZTYGUFREPQHTIG-SCRDCRAPSA-N 0 3 258.321 2.135 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000347729844 368818061 /nfs/dbraw/zinc/81/80/61/368818061.db2.gz WWFAWUBYOOVBSF-ZJUUUORDSA-N 0 3 276.340 2.454 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000347731134 368818590 /nfs/dbraw/zinc/81/85/90/368818590.db2.gz ZTYGUFREPQHTIG-OUCADQQQSA-N 0 3 258.321 2.135 20 30 CEEDHN CS(=O)(=O)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185801137 368864025 /nfs/dbraw/zinc/86/40/25/368864025.db2.gz PNBJTTQEJDHQFH-KGLIPLIRSA-N 0 3 292.404 2.262 20 30 CEEDHN C=CCOCCCN[C@@H](C[S@@](C)=O)c1ccccc1 ZINC000348049704 368875227 /nfs/dbraw/zinc/87/52/27/368875227.db2.gz JDCRHGPVGUAHSW-HNAYVOBHSA-N 0 3 281.421 2.289 20 30 CEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)NC(C)(C)C1=O)C(C)C ZINC000348138559 368915747 /nfs/dbraw/zinc/91/57/47/368915747.db2.gz AVLRIRZWXMTBTM-ZDUSSCGKSA-N 0 3 293.411 2.015 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000186124501 368922555 /nfs/dbraw/zinc/92/25/55/368922555.db2.gz KLVSMZDGHWWQOD-JSGCOSHPSA-N 0 3 293.436 2.452 20 30 CEEDHN C[C@@H](NC[C@@H](CO)c1cccnc1)c1ccc(C#N)cc1 ZINC000348210449 368952112 /nfs/dbraw/zinc/95/21/12/368952112.db2.gz CFDZJDYGZDLMHK-DYVFJYSZSA-N 0 3 281.359 2.380 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000186691562 369020848 /nfs/dbraw/zinc/02/08/48/369020848.db2.gz UBICPQYMHLRKGL-OCCSQVGLSA-N 0 3 290.363 2.231 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000186699609 369022699 /nfs/dbraw/zinc/02/26/99/369022699.db2.gz IGRMEZBWMOTHSX-XHDPSFHLSA-N 0 3 262.353 2.233 20 30 CEEDHN COCCN(Cc1cc(C#N)n(C)c1)[C@@H]1CCCSC1 ZINC000448363237 261128948 /nfs/dbraw/zinc/12/89/48/261128948.db2.gz QFKWQAGRQVPXNT-CQSZACIVSA-N 0 3 293.436 2.241 20 30 CEEDHN CCS[C@@H]1CCC[C@H]1N[C@H](C)C(=O)N(C)CCC#N ZINC000348463321 369053321 /nfs/dbraw/zinc/05/33/21/369053321.db2.gz AJXVBKLYMNTDRN-JHJVBQTASA-N 0 3 283.441 2.011 20 30 CEEDHN CCS[C@@H]1CCC[C@H]1NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000348475313 369057291 /nfs/dbraw/zinc/05/72/91/369057291.db2.gz DMHDBXZEHODAEH-NFAWXSAZSA-N 0 3 297.468 2.305 20 30 CEEDHN C=CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC000635547539 369213921 /nfs/dbraw/zinc/21/39/21/369213921.db2.gz GVUUIPGVXJIQDB-UHFFFAOYSA-N 0 3 252.402 2.389 20 30 CEEDHN CC[C@@H](CO)N1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187705256 369207210 /nfs/dbraw/zinc/20/72/10/369207210.db2.gz UXGRDRGLCDIXIN-YOEHRIQHSA-N 0 3 287.407 2.008 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@H]2CCC[C@H](C)C2)CC1 ZINC000490590913 261164551 /nfs/dbraw/zinc/16/45/51/261164551.db2.gz ZFEOAYAQMXISNC-GJZGRUSLSA-N 0 3 276.424 2.274 20 30 CEEDHN C=CCCN(C)CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000276074555 193206157 /nfs/dbraw/zinc/20/61/57/193206157.db2.gz AIRGCZHMDRECKV-UHFFFAOYSA-N 0 3 289.379 2.459 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CN(C)CC(C)(C)C ZINC000635890416 369393562 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C=CCN(CC=C)C(=O)CNc1cccc(CN(C)C)c1 ZINC000642516159 372841282 /nfs/dbraw/zinc/84/12/82/372841282.db2.gz PXTPAFSODOCXTD-UHFFFAOYSA-N 0 3 287.407 2.361 20 30 CEEDHN C=C(C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000368100649 373219940 /nfs/dbraw/zinc/21/99/40/373219940.db2.gz QPFWQHPCQXLGKJ-CQSZACIVSA-N 0 3 256.365 2.233 20 30 CEEDHN N#Cc1ccc(CNCCc2c[nH]c3ncccc23)o1 ZINC000344895580 217348566 /nfs/dbraw/zinc/34/85/66/217348566.db2.gz WDDBBNHZIOTZRL-UHFFFAOYSA-N 0 3 266.304 2.360 20 30 CEEDHN CS[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@@H]1N(C)C ZINC000272022419 373266960 /nfs/dbraw/zinc/26/69/60/373266960.db2.gz LPJISOVVWFYUDM-LSDHHAIUSA-N 0 3 293.411 2.175 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)[C@H]1CNCCC1(F)F ZINC000644008413 373336894 /nfs/dbraw/zinc/33/68/94/373336894.db2.gz VOBGXCOFGCTWPO-CQSZACIVSA-N 0 3 294.345 2.446 20 30 CEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)N[C@H](CC)C1=O)C(C)C ZINC000272274286 373401353 /nfs/dbraw/zinc/40/13/53/373401353.db2.gz NOUDUTRHCRNDCT-KGLIPLIRSA-N 0 3 293.411 2.015 20 30 CEEDHN C=CCOCCN[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000272605088 373577053 /nfs/dbraw/zinc/57/70/53/373577053.db2.gz UZMDVPQJHLBKGM-CYBMUJFWSA-N 0 3 297.420 2.333 20 30 CEEDHN CN1C[C@H]2CCN(CC#Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000644736669 373641122 /nfs/dbraw/zinc/64/11/22/373641122.db2.gz QKOSEMAEWOUSBP-ZBFHGGJFSA-N 0 3 274.795 2.327 20 30 CEEDHN CO[C@H](C)CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000272782417 373655836 /nfs/dbraw/zinc/65/58/36/373655836.db2.gz HUZYEKFSMGLTSG-CYBMUJFWSA-N 0 3 274.364 2.436 20 30 CEEDHN C#CCN(CCCOc1cccc(C#N)c1)C1CC1 ZINC000274251222 373854695 /nfs/dbraw/zinc/85/46/95/373854695.db2.gz ZUJBKOOBWSPFSU-UHFFFAOYSA-N 0 3 254.333 2.425 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000274279440 373865453 /nfs/dbraw/zinc/86/54/53/373865453.db2.gz DIZSHCDUIHJQFU-CHWSQXEVSA-N 0 3 250.386 2.355 20 30 CEEDHN COC(=O)C1(CN[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000274972192 374109771 /nfs/dbraw/zinc/10/97/71/374109771.db2.gz CJVBQOFCQGNFPZ-NSHDSACASA-N 0 3 258.321 2.162 20 30 CEEDHN C#C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000275097664 374152202 /nfs/dbraw/zinc/15/22/02/374152202.db2.gz QBFTYRVTXGPARR-HLLBOEOZSA-N 0 3 299.418 2.218 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1C[C@@H]2CCCCCC[C@@H]21 ZINC000372589413 374162649 /nfs/dbraw/zinc/16/26/49/374162649.db2.gz PFNSLWXPSGVTQD-ILXRZTDVSA-N 0 3 277.412 2.402 20 30 CEEDHN C#CCN(C)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000276897534 374340027 /nfs/dbraw/zinc/34/00/27/374340027.db2.gz CVEFCLPCXLIIEU-WFASDCNBSA-N 0 3 281.783 2.344 20 30 CEEDHN Cn1ccnc1[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000334178027 206150560 /nfs/dbraw/zinc/15/05/60/206150560.db2.gz CRICCWIBOCONGY-HNNXBMFYSA-N 0 3 266.348 2.281 20 30 CEEDHN C=C(C)CN1CCC(Nc2ncnc(N)c2Cl)CC1 ZINC000277587099 374571809 /nfs/dbraw/zinc/57/18/09/374571809.db2.gz TVRJHQJQNPUQLO-UHFFFAOYSA-N 0 3 281.791 2.165 20 30 CEEDHN C=CCC[C@@H](O)CN1CC[C@H](OCc2c(C)noc2C)C1 ZINC000375171295 374643702 /nfs/dbraw/zinc/64/37/02/374643702.db2.gz NYMDCAXYTKMJRX-CABCVRRESA-N 0 3 294.395 2.209 20 30 CEEDHN CC#CC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000277790669 374645425 /nfs/dbraw/zinc/64/54/25/374645425.db2.gz UYCSDYCKILMXKD-UHFFFAOYSA-N 0 3 280.755 2.242 20 30 CEEDHN C#CCCN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000375218596 374646260 /nfs/dbraw/zinc/64/62/60/374646260.db2.gz RTJLUSPDWSGXSY-UHFFFAOYSA-N 0 3 261.340 2.218 20 30 CEEDHN N#Cc1ccc(CN2CCCC[C@@H]2Cn2ccnn2)cc1 ZINC000375834133 374682521 /nfs/dbraw/zinc/68/25/21/374682521.db2.gz WLYFLODYIRJYLQ-MRXNPFEDSA-N 0 3 281.363 2.204 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@H](O)COCCCC ZINC000279718291 374963627 /nfs/dbraw/zinc/96/36/27/374963627.db2.gz LISAKCAJKDECSE-HNNXBMFYSA-N 0 3 281.396 2.488 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CO)CC2CCC2)c(F)c1 ZINC000279806303 374995284 /nfs/dbraw/zinc/99/52/84/374995284.db2.gz OAXNZDMNXJMEDX-CQSZACIVSA-N 0 3 262.328 2.338 20 30 CEEDHN C=CCCCN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000280083545 375084316 /nfs/dbraw/zinc/08/43/16/375084316.db2.gz NAVBWPFEDCOMGM-CYBMUJFWSA-N 0 3 267.394 2.405 20 30 CEEDHN N#Cc1ccc(NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000378296735 375063034 /nfs/dbraw/zinc/06/30/34/375063034.db2.gz VPWFJMJJVAGOLV-MRXNPFEDSA-N 0 3 271.364 2.223 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(Cl)cnn1C ZINC000280595556 375255329 /nfs/dbraw/zinc/25/53/29/375255329.db2.gz IVEQHTSRFSHDMH-GXFFZTMASA-N 0 3 269.776 2.144 20 30 CEEDHN CC[C@H]1[C@H](CO)CCN1CCOc1ccccc1C#N ZINC000385710155 375240547 /nfs/dbraw/zinc/24/05/47/375240547.db2.gz QUTDKPIYDOARDY-GJZGRUSLSA-N 0 3 274.364 2.030 20 30 CEEDHN CC[C@H]1[C@H](CO)CCN1Cc1ccc(F)c(C#N)c1 ZINC000386274399 375256033 /nfs/dbraw/zinc/25/60/33/375256033.db2.gz MVMGFZUBEXJZJL-WFASDCNBSA-N 0 3 262.328 2.290 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](OC)C1CC1)C(C)C ZINC000280806166 375327614 /nfs/dbraw/zinc/32/76/14/375327614.db2.gz GQAVNOCRMWPIJI-JKSUJKDBSA-N 0 3 294.439 2.226 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000280645391 375270734 /nfs/dbraw/zinc/27/07/34/375270734.db2.gz JAUFFFYNVRXNQW-LRDDRELGSA-N 0 3 277.364 2.472 20 30 CEEDHN C=CC[C@H](CC)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000280988605 375348455 /nfs/dbraw/zinc/34/84/55/375348455.db2.gz IWGNYOJLJQLBRD-STQMWFEESA-N 0 3 250.317 2.296 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C)[C@H]1C ZINC000408348240 375459275 /nfs/dbraw/zinc/45/92/75/375459275.db2.gz ZYQNPIYQDNMLBO-RGCMKSIDSA-N 0 3 265.401 2.160 20 30 CEEDHN Cc1cc([C@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)n[nH]1 ZINC000283073071 375648976 /nfs/dbraw/zinc/64/89/76/375648976.db2.gz QOCVSJJUCFJXHD-AWEZNQCLSA-N 0 3 283.379 2.308 20 30 CEEDHN Cc1cc([C@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)[nH]n1 ZINC000283073071 375648982 /nfs/dbraw/zinc/64/89/82/375648982.db2.gz QOCVSJJUCFJXHD-AWEZNQCLSA-N 0 3 283.379 2.308 20 30 CEEDHN CN(Cc1cc(C#N)cs1)C(C)(C)CN1CCOCC1 ZINC000414569483 375862902 /nfs/dbraw/zinc/86/29/02/375862902.db2.gz PIWSVNSJQQVSQA-UHFFFAOYSA-N 0 3 293.436 2.162 20 30 CEEDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cccc(C#N)c1 ZINC000286653564 376027264 /nfs/dbraw/zinc/02/72/64/376027264.db2.gz BTVHYWVKDBEJPO-CZUORRHYSA-N 0 3 283.375 2.257 20 30 CEEDHN Cc1nsc(N(C)C[C@@H]2CCCN(C)C2)c1C#N ZINC000287386434 376221980 /nfs/dbraw/zinc/22/19/80/376221980.db2.gz RLGJIXYBITUXJY-LLVKDONJSA-N 0 3 264.398 2.101 20 30 CEEDHN Cc1cc(C#N)nc(NC[C@@H]2CCCCN2C2CC2)n1 ZINC000287601983 376272073 /nfs/dbraw/zinc/27/20/73/376272073.db2.gz FQNGECACGGPAFT-AWEZNQCLSA-N 0 3 271.368 2.086 20 30 CEEDHN C[C@@H](CN(C)C)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000287787231 376314547 /nfs/dbraw/zinc/31/45/47/376314547.db2.gz SMQTXAIMLSJGIV-VIFPVBQESA-N 0 3 280.759 2.283 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@@H](N)c1ccccc1CC ZINC000418652308 376317759 /nfs/dbraw/zinc/31/77/59/376317759.db2.gz MQUYUTLGBRPFOH-OAHLLOKOSA-N 0 3 275.396 2.466 20 30 CEEDHN CCN(CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000061757452 284569150 /nfs/dbraw/zinc/56/91/50/284569150.db2.gz ANWUBMXKJYKKCU-UHFFFAOYSA-N 0 3 251.374 2.013 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC[C@H](C)[C@@H]1CO ZINC000305744107 376469303 /nfs/dbraw/zinc/46/93/03/376469303.db2.gz UHXCYJAKLOQTAP-WFASDCNBSA-N 0 3 274.364 2.160 20 30 CEEDHN CC(C)COC[C@@H](O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305813064 376501741 /nfs/dbraw/zinc/50/17/41/376501741.db2.gz KNQQRSATWWVVKA-JSGCOSHPSA-N 0 3 294.370 2.381 20 30 CEEDHN C[C@@H](NCCn1cnc(C#N)n1)c1ccc(Cl)c(F)c1 ZINC000556920080 376516623 /nfs/dbraw/zinc/51/66/23/376516623.db2.gz JWZACYCKHKUNQW-SECBINFHSA-N 0 3 293.733 2.293 20 30 CEEDHN CO[C@@H]1[C@H](C)[C@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000558236441 376597444 /nfs/dbraw/zinc/59/74/44/376597444.db2.gz XEMZXHVUUGCGOM-DDTOSNHZSA-N 0 3 259.353 2.102 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1CCN(C)CC[C@H]1C ZINC000334338546 206391165 /nfs/dbraw/zinc/39/11/65/206391165.db2.gz YQMMNCUGVWVVIA-CYBMUJFWSA-N 0 3 286.379 2.425 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)NCC1CCC(C#N)CC1 ZINC000420860958 376728577 /nfs/dbraw/zinc/72/85/77/376728577.db2.gz JATXTDLIRSKILF-NRXISQOPSA-N 0 3 292.427 2.052 20 30 CEEDHN COc1cc(CN2CCC[C@@H]([C@H](C)O)C2)ccc1C#N ZINC000559783520 376692463 /nfs/dbraw/zinc/69/24/63/376692463.db2.gz YAFGZXPIJMGVQP-SWLSCSKDSA-N 0 3 274.364 2.160 20 30 CEEDHN COCC#CCNC(C)(C)COCc1ccccc1 ZINC000685007315 542110501 /nfs/dbraw/zinc/11/05/01/542110501.db2.gz RLKGURJCGRNNSV-UHFFFAOYSA-N 0 3 261.365 2.221 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2C[C@@H]2C(F)F)cc1 ZINC000561690288 376825239 /nfs/dbraw/zinc/82/52/39/376825239.db2.gz GGXVUHACMGNBPJ-AVGNSLFASA-N 0 3 289.285 2.010 20 30 CEEDHN Cc1c(NC(=O)C2CCN(C3CC3)CC2)cnn1C ZINC000328790380 376899741 /nfs/dbraw/zinc/89/97/41/376899741.db2.gz YTBQQOARMQCIES-UHFFFAOYSA-N 0 3 262.357 2.191 20 30 CEEDHN N#Cc1cncnc1N1CCCN(Cc2ccccc2)CC1 ZINC000323993114 376840344 /nfs/dbraw/zinc/84/03/44/376840344.db2.gz HKKCZSKAAJNYSM-UHFFFAOYSA-N 0 3 293.374 2.061 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCC[C@@H]2CCO)c1F ZINC000330581150 377194306 /nfs/dbraw/zinc/19/43/06/377194306.db2.gz RLKSGXPYIQSMRX-BXUZGUMPSA-N 0 3 262.328 2.338 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1C[C@@H](C)[C@@H]1C ZINC000292867607 377321996 /nfs/dbraw/zinc/32/19/96/377321996.db2.gz ATZHPCGHIUUKSB-NEPJUHHUSA-N 0 3 260.337 2.286 20 30 CEEDHN C#CCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000264905935 190143197 /nfs/dbraw/zinc/14/31/97/190143197.db2.gz CYBSNNOUGIMSNM-UHFFFAOYSA-N 0 3 256.349 2.036 20 30 CEEDHN CC(=O)N[C@@H](C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000331109260 377285205 /nfs/dbraw/zinc/28/52/05/377285205.db2.gz HSGNPNVOQIJDMU-ZDUSSCGKSA-N 0 3 285.391 2.295 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](C)N(C)C ZINC000425592526 377375862 /nfs/dbraw/zinc/37/58/62/377375862.db2.gz VBZQXGUJWJEBBL-QWHCGFSZSA-N 0 3 288.395 2.211 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000426027179 377391082 /nfs/dbraw/zinc/39/10/82/377391082.db2.gz GLCGRDQUONATIS-ZFWWWQNUSA-N 0 3 297.468 2.174 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000564828576 377468888 /nfs/dbraw/zinc/46/88/88/377468888.db2.gz SJUKFVWKTMQQRY-VXGBXAGGSA-N 0 3 299.296 2.427 20 30 CEEDHN C[C@@H](C(=O)N[C@@]1(C#N)CC1(C)C)N1[C@H](C)CC[C@@H]1C ZINC000331990871 377497667 /nfs/dbraw/zinc/49/76/67/377497667.db2.gz YWFBWGYOEANVQX-OZTPJHRESA-N 0 3 263.385 2.056 20 30 CEEDHN N#CCC1(CNCc2ccc3c(c2)OCCO3)CC1 ZINC000430056329 377525628 /nfs/dbraw/zinc/52/56/28/377525628.db2.gz FUSZBLIUZQQUFD-UHFFFAOYSA-N 0 3 258.321 2.241 20 30 CEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccccc1F ZINC000429706218 377520451 /nfs/dbraw/zinc/52/04/51/377520451.db2.gz CIYXTHZBJDXDTL-UHFFFAOYSA-N 0 3 293.386 2.204 20 30 CEEDHN C[S@](=O)c1ccc(CNCC2(CC#N)CC2)cc1 ZINC000430028714 377523942 /nfs/dbraw/zinc/52/39/42/377523942.db2.gz WAJGBMQISXYYGR-SFHVURJKSA-N 0 3 262.378 2.207 20 30 CEEDHN C[C@@H](CC(=O)OC(C)(C)C)NCC1(CC#N)CC1 ZINC000430739619 377547271 /nfs/dbraw/zinc/54/72/71/377547271.db2.gz OHOVPBZOBAYXJF-NSHDSACASA-N 0 3 252.358 2.390 20 30 CEEDHN CC(CN[C@@H]1CCC[C@@H]1C#N)CN[C@@H]1CCC[C@@H]1C#N ZINC000332329118 377569280 /nfs/dbraw/zinc/56/92/80/377569280.db2.gz PIWUXQJSZKXSOI-KLHDSHLOSA-N 0 3 274.412 2.186 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)NCC1(CC#N)CC1 ZINC000430969603 377582393 /nfs/dbraw/zinc/58/23/93/377582393.db2.gz FWJJXLDEBBLHCH-CYBMUJFWSA-N 0 3 292.427 2.100 20 30 CEEDHN C=C(CC)CN1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000565173280 377586998 /nfs/dbraw/zinc/58/69/98/377586998.db2.gz PJKQCJLLNDCSEE-ZDUSSCGKSA-N 0 3 250.386 2.189 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000431037263 377589762 /nfs/dbraw/zinc/58/97/62/377589762.db2.gz JBWPJQRYHCHIKW-IACUBPJLSA-N 0 3 258.321 2.040 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](C)C1 ZINC000265833663 190210942 /nfs/dbraw/zinc/21/09/42/190210942.db2.gz LQCRQFOUDANFRG-LBPRGKRZSA-N 0 3 260.337 2.287 20 30 CEEDHN C=CCC(C)(C)CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000432098885 377713556 /nfs/dbraw/zinc/71/35/56/377713556.db2.gz OVKTXZNRYPPISF-GFCCVEGCSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000432095008 377714468 /nfs/dbraw/zinc/71/44/68/377714468.db2.gz ADYIASYDEQERJU-CHWSQXEVSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CCC(C)(C)CNC(=O)NC1CCN(CC)CC1 ZINC000432090069 377711892 /nfs/dbraw/zinc/71/18/92/377711892.db2.gz BREXSIKQGXISID-UHFFFAOYSA-N 0 3 267.417 2.372 20 30 CEEDHN CN(C(=O)[C@H](C#N)CCc1ccccc1)C1CCN(C)CC1 ZINC000433105182 377779024 /nfs/dbraw/zinc/77/90/24/377779024.db2.gz PSPIJYFXBZMTEE-INIZCTEOSA-N 0 3 299.418 2.312 20 30 CEEDHN C[C@H](CCC#N)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000566301363 377754926 /nfs/dbraw/zinc/75/49/26/377754926.db2.gz XQIYNGYNQJUGFK-KGLIPLIRSA-N 0 3 266.385 2.196 20 30 CEEDHN N#CCN(C(=O)[C@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000566436022 377760848 /nfs/dbraw/zinc/76/08/48/377760848.db2.gz WYHWZAMAIQPEPM-HNNXBMFYSA-N 0 3 283.375 2.023 20 30 CEEDHN COC[C@H](C)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433301238 377785010 /nfs/dbraw/zinc/78/50/10/377785010.db2.gz GDPIWFCPLODHFP-DZGCQCFKSA-N 0 3 274.364 2.252 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(OC)cc(C)n1 ZINC000435744836 377811541 /nfs/dbraw/zinc/81/15/41/377811541.db2.gz ZOFKXGKVSHKKGT-BBRMVZONSA-N 0 3 276.380 2.469 20 30 CEEDHN C[C@@H](CNC(=O)[C@@H](C#N)CCc1ccccc1)N(C)C1CC1 ZINC000435930254 377814994 /nfs/dbraw/zinc/81/49/94/377814994.db2.gz WSAYTGHARBXHQK-GOEBONIOSA-N 0 3 299.418 2.358 20 30 CEEDHN Cc1noc(C2CCC(NC[C@@H](C#N)CCC#N)CC2)n1 ZINC000567212116 377815528 /nfs/dbraw/zinc/81/55/28/377815528.db2.gz QMFUPOIYUUGYPX-IYXRBSQSSA-N 0 3 287.367 2.437 20 30 CEEDHN Cn1cc(NC(=O)C(C#N)CCc2ccccc2)ccc1=O ZINC000433309887 377787734 /nfs/dbraw/zinc/78/77/34/377787734.db2.gz FAMVLZZIJJQYDK-AWEZNQCLSA-N 0 3 295.342 2.096 20 30 CEEDHN CC[C@](C)(O)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433380389 377791782 /nfs/dbraw/zinc/79/17/82/377791782.db2.gz BHPHHHLUGBOWCW-ZBFHGGJFSA-N 0 3 274.364 2.036 20 30 CEEDHN CC(C)C[C@@H](CO)NC(=O)C(C#N)CCc1ccccc1 ZINC000433378081 377792084 /nfs/dbraw/zinc/79/20/84/377792084.db2.gz YPENUKRHACEHCC-HOTGVXAUSA-N 0 3 288.391 2.282 20 30 CEEDHN CS[C@@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000294180380 377930132 /nfs/dbraw/zinc/93/01/32/377930132.db2.gz DQUUXZFOBLYKIS-CYBMUJFWSA-N 0 3 262.378 2.374 20 30 CEEDHN C#CCN(C)CCCN[C@H](C)c1cnn(C(C)C)c1 ZINC000294535665 377994930 /nfs/dbraw/zinc/99/49/30/377994930.db2.gz AIHNOBLZONCOOP-CQSZACIVSA-N 0 3 262.401 2.070 20 30 CEEDHN CN(C(=O)CN[C@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000442796701 377997145 /nfs/dbraw/zinc/99/71/45/377997145.db2.gz VYOSCPSJHFJUAQ-OLZOCXBDSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CC(C)(C)C(=O)NCCN(C)Cc1ccccc1 ZINC000294601648 377999908 /nfs/dbraw/zinc/99/99/08/377999908.db2.gz RKKLQEUBTGGYOB-UHFFFAOYSA-N 0 3 260.381 2.447 20 30 CEEDHN CC#CCN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000266025364 190223956 /nfs/dbraw/zinc/22/39/56/190223956.db2.gz QRDOERGRWHYRIJ-UHFFFAOYSA-N 0 3 274.339 2.500 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(C3CC3)cn2)CC1 ZINC000446061520 378083299 /nfs/dbraw/zinc/08/32/99/378083299.db2.gz LMTZNANKITZKIF-UHFFFAOYSA-N 0 3 285.391 2.339 20 30 CEEDHN Cc1ccc(NC(=O)CCN2CCC(C)(C#N)CC2)nc1 ZINC000447300906 378099431 /nfs/dbraw/zinc/09/94/31/378099431.db2.gz ZVRKGECHWMPSMB-UHFFFAOYSA-N 0 3 286.379 2.344 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CCN(C)C)C1CCCCC1 ZINC000448956241 378194536 /nfs/dbraw/zinc/19/45/36/378194536.db2.gz PMCBSKCLYFPUAW-CVEARBPZSA-N 0 3 294.439 2.300 20 30 CEEDHN CC(C)(O)C(C)(C)CNCc1cnc2ccc(C#N)cn12 ZINC000449715774 378224030 /nfs/dbraw/zinc/22/40/30/378224030.db2.gz BQPYMHLXGXDKGR-UHFFFAOYSA-N 0 3 286.379 2.093 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@](CO)(COC)C1 ZINC000449693327 378220765 /nfs/dbraw/zinc/22/07/65/378220765.db2.gz DJVOBHYSOCNOFQ-KRWDZBQOSA-N 0 3 291.391 2.082 20 30 CEEDHN Cc1cc(C[C@@H](C)NC(=O)C(C)C#N)n(-c2ccccc2)n1 ZINC000448449856 378171274 /nfs/dbraw/zinc/17/12/74/378171274.db2.gz SHUAWZWHTHZJRR-CHWSQXEVSA-N 0 3 296.374 2.388 20 30 CEEDHN C[C@@H](NCc1ccc(C#N)cc1Br)[C@H](C)CO ZINC000295821519 378318322 /nfs/dbraw/zinc/31/83/22/378318322.db2.gz VGKHKSJQQIXMTL-NXEZZACHSA-N 0 3 297.196 2.427 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCc1coc2ccccc12 ZINC000296593174 378585714 /nfs/dbraw/zinc/58/57/14/378585714.db2.gz ZUPXZBXLHIXTRJ-UHFFFAOYSA-N 0 3 299.374 2.187 20 30 CEEDHN CCN1CCC(NC(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000298379785 378711270 /nfs/dbraw/zinc/71/12/70/378711270.db2.gz AQCLNXFTQAYVEK-VOTSOKGWSA-N 0 3 283.375 2.172 20 30 CEEDHN C[C@H](NC[C@@]1(C)CCC(=O)N1)c1ccc(C#N)cc1F ZINC000453436647 378903875 /nfs/dbraw/zinc/90/38/75/378903875.db2.gz URZHEXFOQKJIBP-ZUZCIYMTSA-N 0 3 275.327 2.017 20 30 CEEDHN C=CCOCCCC(=O)NCCN(C)Cc1ccccc1 ZINC000266315656 190248553 /nfs/dbraw/zinc/24/85/53/190248553.db2.gz XZLBSQGPGVYQBW-UHFFFAOYSA-N 0 3 290.407 2.217 20 30 CEEDHN C=CCN(CC[C@H]1CCNC1=O)Cc1cccs1 ZINC000514610894 379131743 /nfs/dbraw/zinc/13/17/43/379131743.db2.gz CLCYKFYNTWFGGV-GFCCVEGCSA-N 0 3 264.394 2.262 20 30 CEEDHN C[C@H](O)C[C@H]1CCCCCN1Cc1ccc(C#N)cn1 ZINC000515308266 379205174 /nfs/dbraw/zinc/20/51/74/379205174.db2.gz IGMYMCXEZKDZPL-XJKSGUPXSA-N 0 3 273.380 2.469 20 30 CEEDHN N#Cc1ccc(CN2CCN(CC3CCC3)CC2)cc1 ZINC000266507202 190262074 /nfs/dbraw/zinc/26/20/74/190262074.db2.gz CCFZOYQTGQZWOP-UHFFFAOYSA-N 0 3 269.392 2.476 20 30 CEEDHN C=CCCCCN1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000515986755 379250455 /nfs/dbraw/zinc/25/04/55/379250455.db2.gz OGOXZVJWPGGZKB-UHFFFAOYSA-N 0 3 287.407 2.264 20 30 CEEDHN C[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[C@@H]1C ZINC000347588901 218283691 /nfs/dbraw/zinc/28/36/91/218283691.db2.gz KRVVSLSWKITYHF-KBPBESRZSA-N 0 3 285.391 2.152 20 30 CEEDHN C=C(CC)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000456814873 379560491 /nfs/dbraw/zinc/56/04/91/379560491.db2.gz WHAWGSCLEGTTOQ-OAHLLOKOSA-N 0 3 267.332 2.323 20 30 CEEDHN CN(C)[C@@]1(CNc2ncc(C#N)cc2Cl)CCSC1 ZINC000267037090 190298592 /nfs/dbraw/zinc/29/85/92/190298592.db2.gz CBIZSWMSUQGLJP-CYBMUJFWSA-N 0 3 296.827 2.456 20 30 CEEDHN C[C@H](O)C[C@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000305237723 379695695 /nfs/dbraw/zinc/69/56/95/379695695.db2.gz ZAURXAPYFJEAQE-XJKSGUPXSA-N 0 3 261.340 2.413 20 30 CEEDHN C=CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000267312295 190320260 /nfs/dbraw/zinc/32/02/60/190320260.db2.gz IJJOHMKYKIXLTD-HOCLYGCPSA-N 0 3 287.407 2.382 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1C#N ZINC000267686785 190347661 /nfs/dbraw/zinc/34/76/61/190347661.db2.gz QKIGWCZDNCTVQC-BXUZGUMPSA-N 0 3 288.351 2.243 20 30 CEEDHN N#CCCCCN1CCc2nc(C3CC3)ncc2C1 ZINC000528733651 380069943 /nfs/dbraw/zinc/06/99/43/380069943.db2.gz NBKJCRKERLRDKN-UHFFFAOYSA-N 0 3 256.353 2.406 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000486363670 380081306 /nfs/dbraw/zinc/08/13/06/380081306.db2.gz ZFWOJLLAKVMYGL-KLHDSHLOSA-N 0 3 294.439 2.347 20 30 CEEDHN N#CCc1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000528783021 380094738 /nfs/dbraw/zinc/09/47/38/380094738.db2.gz KMWGDOXRBCBAJP-GUXCAODWSA-N 0 3 288.416 2.238 20 30 CEEDHN N#CC(C(=O)NC1CC1)C(=O)C1CCc2ccccc2CC1 ZINC000528919403 380134841 /nfs/dbraw/zinc/13/48/41/380134841.db2.gz MGNSWNDJTKSDPU-MRXNPFEDSA-N 0 3 296.370 2.169 20 30 CEEDHN C[C@H]1C[C@@H](Nc2nccnc2C#N)CN1Cc1ccccc1 ZINC000268212197 190387070 /nfs/dbraw/zinc/38/70/70/190387070.db2.gz ZUAKVDHXAPCJAX-DZGCQCFKSA-N 0 3 293.374 2.423 20 30 CEEDHN CC#CCN1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000268259046 190390263 /nfs/dbraw/zinc/39/02/63/190390263.db2.gz KQSUITKOYWDQDR-UHFFFAOYSA-N 0 3 288.391 2.239 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000489053068 380158351 /nfs/dbraw/zinc/15/83/51/380158351.db2.gz VGIHCHRSQBFXBA-KGLIPLIRSA-N 0 3 275.396 2.133 20 30 CEEDHN CCN1CCCC[C@H]1C(=O)N1CCC(CC#N)CC1 ZINC000334164648 380247281 /nfs/dbraw/zinc/24/72/81/380247281.db2.gz AAOJMDXLZDAZNY-AWEZNQCLSA-N 0 3 263.385 2.013 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532127267 380211610 /nfs/dbraw/zinc/21/16/10/380211610.db2.gz OZHRCPLXTWQZIE-NWDGAFQWSA-N 0 3 280.368 2.116 20 30 CEEDHN C[C@H](CNC(=O)C1(C#N)CC(C)C1)N1CCC[C@H](C)C1 ZINC000532322119 380213089 /nfs/dbraw/zinc/21/30/89/380213089.db2.gz FJKFYNYMYQBGPO-PGOFDVKTSA-N 0 3 277.412 2.163 20 30 CEEDHN C#C[C@@H](NC(=O)N1CCN(C2CCC2)C[C@H](C)C1)C(C)C ZINC000491299360 380299474 /nfs/dbraw/zinc/29/94/74/380299474.db2.gz ZHBNXPJQQOQURH-GOEBONIOSA-N 0 3 291.439 2.160 20 30 CEEDHN CN(CCC(=O)Nc1cc(CC#N)ccn1)c1ccncc1 ZINC000542786067 380310590 /nfs/dbraw/zinc/31/05/90/380310590.db2.gz PRIQPORDBHWHTR-UHFFFAOYSA-N 0 3 295.346 2.008 20 30 CEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)/C=C\CN(C)C ZINC000491881796 380369718 /nfs/dbraw/zinc/36/97/18/380369718.db2.gz ILTBRQQSFLGSFN-WAYWQWQTSA-N 0 3 287.363 2.402 20 30 CEEDHN C#C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000491633570 380338196 /nfs/dbraw/zinc/33/81/96/380338196.db2.gz UJMJYAQLIMJVAL-LBPRGKRZSA-N 0 3 289.335 2.171 20 30 CEEDHN C#CCN(Cc1ccc(F)cc1)CC1(C(=O)OC)CC1 ZINC000279091386 194279340 /nfs/dbraw/zinc/27/93/40/194279340.db2.gz BIQDGSFLLWVBLB-UHFFFAOYSA-N 0 3 275.323 2.214 20 30 CEEDHN CC(C#N)C(=O)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000334522082 380527070 /nfs/dbraw/zinc/52/70/70/380527070.db2.gz NHQWZGOCKFBPTB-JTQLQIEISA-N 0 3 295.745 2.287 20 30 CEEDHN CN1CCC[C@H](CNC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000552166622 380691140 /nfs/dbraw/zinc/69/11/40/380691140.db2.gz DITXKYZTEVWWLL-GFCCVEGCSA-N 0 3 291.782 2.283 20 30 CEEDHN CC(C)[C@@H](CO)CNC(=O)C(C#N)CCc1ccccc1 ZINC000554052525 380755761 /nfs/dbraw/zinc/75/57/61/380755761.db2.gz PDYYKCBNVAHGAN-HZPDHXFCSA-N 0 3 288.391 2.140 20 30 CEEDHN CC1(C)CC[C@@H]1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000554404917 380768176 /nfs/dbraw/zinc/76/81/76/380768176.db2.gz KREXNFGDBRJTAF-GJZGRUSLSA-N 0 3 283.375 2.442 20 30 CEEDHN CC(C#N)C(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000492943372 380737158 /nfs/dbraw/zinc/73/71/58/380737158.db2.gz GEKVDVGNRZIROU-LLVKDONJSA-N 0 3 297.399 2.155 20 30 CEEDHN CC(C#N)C(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000492943373 380737590 /nfs/dbraw/zinc/73/75/90/380737590.db2.gz GEKVDVGNRZIROU-NSHDSACASA-N 0 3 297.399 2.155 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@](C)(OC)C1 ZINC000279206560 194332594 /nfs/dbraw/zinc/33/25/94/194332594.db2.gz BINLBTIDYCCYIL-ZBFHGGJFSA-N 0 3 280.412 2.076 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000493981396 381151936 /nfs/dbraw/zinc/15/19/36/381151936.db2.gz KVGRRLMCKORVJC-CHWSQXEVSA-N 0 3 266.385 2.245 20 30 CEEDHN C=C(C)CN[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000494237292 381157284 /nfs/dbraw/zinc/15/72/84/381157284.db2.gz JZKNPAICGLBASZ-ZFWWWQNUSA-N 0 3 280.318 2.402 20 30 CEEDHN C=CCOCCCN1CCC(N(C)C(=O)OCC)CC1 ZINC000495558843 381178393 /nfs/dbraw/zinc/17/83/93/381178393.db2.gz VAMLCFQCYKGICT-UHFFFAOYSA-N 0 3 284.400 2.132 20 30 CEEDHN CN(C)C(=O)OC[C@H]1CCCCN1CCCCC#N ZINC000495689638 381181721 /nfs/dbraw/zinc/18/17/21/381181721.db2.gz UWLRFSQPDMKBSD-CYBMUJFWSA-N 0 3 267.373 2.233 20 30 CEEDHN COC[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C(C)C ZINC000581134583 322372311 /nfs/dbraw/zinc/37/23/11/322372311.db2.gz WDYFLAUNHMASOQ-CYBMUJFWSA-N 0 3 277.324 2.227 20 30 CEEDHN CO[C@@](C)([C@@H](C)NCc1cnc2ccc(C#N)cn12)C1CC1 ZINC000414504383 533006595 /nfs/dbraw/zinc/00/65/95/533006595.db2.gz SJZUGXOBCQGMON-PXAZEXFGSA-N 0 3 298.390 2.499 20 30 CEEDHN C#CCCCC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000192167498 533013545 /nfs/dbraw/zinc/01/35/45/533013545.db2.gz FXOKNYQHRPTOEP-UHFFFAOYSA-N 0 3 285.391 2.218 20 30 CEEDHN COC1([C@H](C)NCC(=O)Nc2sccc2C#N)CCC1 ZINC000412021339 533026388 /nfs/dbraw/zinc/02/63/88/533026388.db2.gz MDDOSBVNZMEWKB-JTQLQIEISA-N 0 3 293.392 2.105 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)CCCC)C1 ZINC001269307589 805122313 /nfs/dbraw/zinc/12/23/13/805122313.db2.gz VDDBXBKKKCRDPT-AWEZNQCLSA-N 0 3 250.386 2.123 20 30 CEEDHN CC(C#N)C(=O)N(C)CCCOc1ccc(F)cc1 ZINC000347035902 533108063 /nfs/dbraw/zinc/10/80/63/533108063.db2.gz LPNPTNNCXKOZLL-NSHDSACASA-N 0 3 264.300 2.213 20 30 CEEDHN CC(C#N)C(=O)N(C)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000352791232 533108142 /nfs/dbraw/zinc/10/81/42/533108142.db2.gz YNQSTXLWJAISCV-AAEUAGOBSA-N 0 3 268.320 2.117 20 30 CEEDHN C[C@@H](C#N)C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000353777340 533122648 /nfs/dbraw/zinc/12/26/48/533122648.db2.gz XYIRVZQLNBYJEJ-LBPRGKRZSA-N 0 3 286.379 2.291 20 30 CEEDHN N#Cc1ccc(CNC[C@@H]2COc3ccccc32)o1 ZINC000288535306 197105624 /nfs/dbraw/zinc/10/56/24/197105624.db2.gz KMGMYKRVPUYWIA-LLVKDONJSA-N 0 3 254.289 2.417 20 30 CEEDHN COc1cc(CN[C@@H](CO)CC(C)(C)C)ccc1C#N ZINC000281709169 195345541 /nfs/dbraw/zinc/34/55/41/195345541.db2.gz OJFPNWBZEMMYCW-CQSZACIVSA-N 0 3 276.380 2.454 20 30 CEEDHN COc1cc(CN[C@H](CO)Cc2ccccc2)ccc1C#N ZINC000281798904 195385887 /nfs/dbraw/zinc/38/58/87/195385887.db2.gz VCDYLHDTBZWEMR-KRWDZBQOSA-N 0 3 296.370 2.260 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)NCC#Cc1ccccc1 ZINC000264109323 131395777 /nfs/dbraw/zinc/39/57/77/131395777.db2.gz KDAXGWQRGQCJKU-UHFFFAOYSA-N 0 3 299.418 2.021 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNc1cnc(C#N)cn1 ZINC000355424502 394449377 /nfs/dbraw/zinc/44/93/77/394449377.db2.gz UJCVBPSNTWHBJD-RYUDHWBXSA-N 0 3 259.357 2.023 20 30 CEEDHN N#Cc1c(Cl)nsc1N1CC[C@@H](N2CCCC2)C1 ZINC000301149865 394459571 /nfs/dbraw/zinc/45/95/71/394459571.db2.gz MCUMSOMMACNBIP-SECBINFHSA-N 0 3 282.800 2.343 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@H]2CCC[C@@H](OC)C2)CC1 ZINC000355658616 394491867 /nfs/dbraw/zinc/49/18/67/394491867.db2.gz LQNNAVDVRMXWED-GOEBONIOSA-N 0 3 294.439 2.348 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000329483717 394566548 /nfs/dbraw/zinc/56/65/48/394566548.db2.gz QGUFESJYXCBSTM-BBRMVZONSA-N 0 3 297.402 2.454 20 30 CEEDHN O=C(NC1CCN(C2CC2)CC1)c1c[nH]c2cccnc12 ZINC000329821047 394588124 /nfs/dbraw/zinc/58/81/24/394588124.db2.gz GPXKCBLMUFLJSB-UHFFFAOYSA-N 0 3 284.363 2.494 20 30 CEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C1(C#N)CCCC1 ZINC000049119175 394542565 /nfs/dbraw/zinc/54/25/65/394542565.db2.gz IJFOSTPUBZPMNN-ZIAGYGMSSA-N 0 3 277.412 2.307 20 30 CEEDHN CC[C@H](C(=O)N[C@@H](CCC#N)c1ccccc1)N(C)C ZINC000413651269 394610233 /nfs/dbraw/zinc/61/02/33/394610233.db2.gz HOTZFSVJBFFWAC-LSDHHAIUSA-N 0 3 273.380 2.488 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)nn2C)CC1 ZINC000330642663 394623787 /nfs/dbraw/zinc/62/37/87/394623787.db2.gz FDZUMPLFDVUZSJ-UHFFFAOYSA-N 0 3 291.399 2.095 20 30 CEEDHN COc1ccc(CN2CCC[C@H]([C@@H](C)O)C2)cc1C#N ZINC000089931870 394651764 /nfs/dbraw/zinc/65/17/64/394651764.db2.gz DZZRXTZJYCDCHR-OCCSQVGLSA-N 0 3 274.364 2.160 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(CC#N)cc1 ZINC000270302128 394730740 /nfs/dbraw/zinc/73/07/40/394730740.db2.gz XAOKZURTGSOVNH-CQSZACIVSA-N 0 3 285.391 2.357 20 30 CEEDHN Cc1cc(CN(C)C)cc(NC(=O)CSCC#N)c1 ZINC000270359592 394732196 /nfs/dbraw/zinc/73/21/96/394732196.db2.gz GGDKDKWOKNSHDI-UHFFFAOYSA-N 0 3 277.393 2.252 20 30 CEEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCC(C)(C#N)CC2)C1 ZINC000335103791 394737516 /nfs/dbraw/zinc/73/75/16/394737516.db2.gz LGKDPCPXDKELAH-ZIAGYGMSSA-N 0 3 292.427 2.050 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000334316281 394674036 /nfs/dbraw/zinc/67/40/36/394674036.db2.gz SGQGPOUBCBIWSI-CABCVRRESA-N 0 3 250.386 2.143 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000334373197 394679043 /nfs/dbraw/zinc/67/90/43/394679043.db2.gz ZPYFGGSFDNUYFD-HNNXBMFYSA-N 0 3 265.401 2.259 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000334594692 394699082 /nfs/dbraw/zinc/69/90/82/394699082.db2.gz HNFLLUFPUIHJMF-MRXNPFEDSA-N 0 3 277.412 2.403 20 30 CEEDHN COCCN(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000271054111 394746372 /nfs/dbraw/zinc/74/63/72/394746372.db2.gz YIANCYSVGHNLMB-UHFFFAOYSA-N 0 3 261.369 2.115 20 30 CEEDHN CC[C@@H](C(=O)N(C)C1(C#N)CCC1)N(CC)CC ZINC000359300259 394747203 /nfs/dbraw/zinc/74/72/03/394747203.db2.gz VTGXCSSXHUSNPZ-LBPRGKRZSA-N 0 3 251.374 2.011 20 30 CEEDHN CC(C#N)C(=O)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000358309478 394717091 /nfs/dbraw/zinc/71/70/91/394717091.db2.gz LAIKLFVROBPTON-GMSGAONNSA-N 0 3 287.146 2.303 20 30 CEEDHN C[C@@H]1CN(C(=O)NCC(C)(C)C#N)CCN(C2CCC2)C1 ZINC000334903054 394719037 /nfs/dbraw/zinc/71/90/37/394719037.db2.gz FSSOCKACXQIXHA-ZDUSSCGKSA-N 0 3 292.427 2.052 20 30 CEEDHN CC[C@@H](N[C@@H]1COC[C@@H]1OC)c1ccc(C#N)cc1 ZINC000414191813 394726392 /nfs/dbraw/zinc/72/63/92/394726392.db2.gz VGMLINIDJRLRBR-KFWWJZLASA-N 0 3 260.337 2.013 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(CC1CC1)CC1CC1 ZINC000115563997 394754539 /nfs/dbraw/zinc/75/45/39/394754539.db2.gz JMFRSIAIOQBEJV-ZDUSSCGKSA-N 0 3 277.412 2.117 20 30 CEEDHN CC(C)[C@H]1CN(Cc2ccc(C#N)s2)CCN1C ZINC000335292355 394757178 /nfs/dbraw/zinc/75/71/78/394757178.db2.gz NJGOHOUHPDZBDP-CQSZACIVSA-N 0 3 263.410 2.392 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000335315751 394758596 /nfs/dbraw/zinc/75/85/96/394758596.db2.gz WHYRQBCIXZEVHB-HIFRSBDPSA-N 0 3 250.386 2.143 20 30 CEEDHN C=CCOCC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000359537503 394760468 /nfs/dbraw/zinc/76/04/68/394760468.db2.gz AEFFMFPJXDBLMD-QWHCGFSZSA-N 0 3 280.368 2.028 20 30 CEEDHN CC(C#N)C(=O)N1C[C@H](CO)[C@H](c2ccc(Cl)cc2)C1 ZINC000359533100 394760613 /nfs/dbraw/zinc/76/06/13/394760613.db2.gz WQGJRJYIVVMBRZ-QKCSRTOESA-N 0 3 292.766 2.034 20 30 CEEDHN C=C(C)CN(CC)Cc1cc(=O)n2c(C)cccc2n1 ZINC000119870807 394772966 /nfs/dbraw/zinc/77/29/66/394772966.db2.gz GYQJGCLOBQJTRU-UHFFFAOYSA-N 0 3 271.364 2.401 20 30 CEEDHN CC[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)N(CC)CC ZINC000359857880 394778261 /nfs/dbraw/zinc/77/82/61/394778261.db2.gz MTNUBNGONHTECD-RYUDHWBXSA-N 0 3 253.390 2.161 20 30 CEEDHN N#CC(C(=O)NCc1ccccc1)c1ccccn1 ZINC000359921212 394780649 /nfs/dbraw/zinc/78/06/49/394780649.db2.gz AYHJXCNTQCOAQO-CYBMUJFWSA-N 0 3 251.289 2.005 20 30 CEEDHN C=CC1CCN(Cc2ccc3c(c2)nnn3C)CC1 ZINC000335665221 394786640 /nfs/dbraw/zinc/78/66/40/394786640.db2.gz NEKZTVZNUPKOHM-UHFFFAOYSA-N 0 3 256.353 2.366 20 30 CEEDHN C=CCCCN(C)CC(=O)NC1(C#N)CCCCC1 ZINC000121051663 394790742 /nfs/dbraw/zinc/79/07/42/394790742.db2.gz DWCOCXPZNOPPBM-UHFFFAOYSA-N 0 3 263.385 2.227 20 30 CEEDHN C[C@@H]1CCN(C)CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000335820057 394801794 /nfs/dbraw/zinc/80/17/94/394801794.db2.gz YAPHIEWKPJXGGD-CQSZACIVSA-N 0 3 297.402 2.408 20 30 CEEDHN COc1ccc([C@H](C)NC(=O)C(C)C#N)c(C)c1OC ZINC000360561171 394802581 /nfs/dbraw/zinc/80/25/81/394802581.db2.gz NMMCCRRSLJUCFY-KOLCDFICSA-N 0 3 276.336 2.349 20 30 CEEDHN CC(C#N)C(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000335857480 394805456 /nfs/dbraw/zinc/80/54/56/394805456.db2.gz NDNPZTQQVJUFKW-SNVBAGLBSA-N 0 3 294.301 2.246 20 30 CEEDHN C[C@H]1CC[C@@]2(CCN(CC(=O)NC3(C#N)CCC3)C2)C1 ZINC000335959295 394814654 /nfs/dbraw/zinc/81/46/54/394814654.db2.gz VFGROVMSEPGOQB-DZGCQCFKSA-N 0 3 275.396 2.061 20 30 CEEDHN N#Cc1ncccc1N1CCN(C2CCCC2)CC1 ZINC000129985434 394877962 /nfs/dbraw/zinc/87/79/62/394877962.db2.gz WJILBUKETLEMRA-UHFFFAOYSA-N 0 3 256.353 2.018 20 30 CEEDHN C=CCSc1ccccc1C(=O)NCCN(C)C ZINC000362391120 394859182 /nfs/dbraw/zinc/85/91/82/394859182.db2.gz VOSXEIFLWWQFKN-UHFFFAOYSA-N 0 3 264.394 2.256 20 30 CEEDHN CC(C#N)C(=O)N1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000336513760 394860670 /nfs/dbraw/zinc/86/06/70/394860670.db2.gz YESAZXKYHTVQPA-LDYMZIIASA-N 0 3 278.274 2.104 20 30 CEEDHN C=CCC[C@H](O)CN1CCC(c2nccc(C)n2)CC1 ZINC000363803771 394886993 /nfs/dbraw/zinc/88/69/93/394886993.db2.gz VFBGRSDMDYTECJ-HNNXBMFYSA-N 0 3 275.396 2.292 20 30 CEEDHN C=CCC[C@@H](O)CN1C[C@H](CN(C)C)Oc2ccccc21 ZINC000363877741 394888017 /nfs/dbraw/zinc/88/80/17/394888017.db2.gz FQWGWYOFXCKBJO-CABCVRRESA-N 0 3 290.407 2.143 20 30 CEEDHN C=CCN1CC[C@H](N(CC)CCc2ccccc2)C1=O ZINC000282086477 394908682 /nfs/dbraw/zinc/90/86/82/394908682.db2.gz UXNVXZMZGYCAFJ-INIZCTEOSA-N 0 3 272.392 2.338 20 30 CEEDHN C=CCn1c(C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC000282147712 394910704 /nfs/dbraw/zinc/91/07/04/394910704.db2.gz BWDXLMAZGUJPJW-UHFFFAOYSA-N 0 3 291.443 2.331 20 30 CEEDHN CCCN(CCCCC(C)(C)C#N)[C@H]1CC(=O)N(C)C1=O ZINC000338333005 394914601 /nfs/dbraw/zinc/91/46/01/394914601.db2.gz OKSUAEBLMYPFRF-ZDUSSCGKSA-N 0 3 293.411 2.176 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N(CCC)CCN(C)C)OCC ZINC000339349715 394956333 /nfs/dbraw/zinc/95/63/33/394956333.db2.gz TWUZOLXCLAKHND-CQSZACIVSA-N 0 3 270.417 2.158 20 30 CEEDHN C=CCOCCNC1(C(=O)NCCC)CCCCC1 ZINC000339045745 394938506 /nfs/dbraw/zinc/93/85/06/394938506.db2.gz URZKYFWEEXZSQW-UHFFFAOYSA-N 0 3 268.401 2.008 20 30 CEEDHN C=CCOCCN1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000339094748 394941903 /nfs/dbraw/zinc/94/19/03/394941903.db2.gz OFXKOFKDIMKJSY-CYBMUJFWSA-N 0 3 269.385 2.243 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)C1 ZINC000339128312 394944906 /nfs/dbraw/zinc/94/49/06/394944906.db2.gz RZMIYINBAMPUOO-WYUUTHIRSA-N 0 3 276.302 2.314 20 30 CEEDHN C=CCOCCN(CCOC)[C@@H]1CCCSC1 ZINC000339212207 394953000 /nfs/dbraw/zinc/95/30/00/394953000.db2.gz CGGPPCIDRIDHEX-CYBMUJFWSA-N 0 3 259.415 2.033 20 30 CEEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)CCSC ZINC000152437203 394997164 /nfs/dbraw/zinc/99/71/64/394997164.db2.gz PQIFJPANAFSNRU-HNNXBMFYSA-N 0 3 295.448 2.450 20 30 CEEDHN Cc1nsc(NC2CCN(C3CC3)CC2)c1C#N ZINC000286011043 394999768 /nfs/dbraw/zinc/99/97/68/394999768.db2.gz FCBFWDNKHRJYBL-UHFFFAOYSA-N 0 3 262.382 2.362 20 30 CEEDHN C=CCC[C@@H](NCCN(C)CCOC)c1ccco1 ZINC000286021588 395001958 /nfs/dbraw/zinc/00/19/58/395001958.db2.gz JTSAXXFYZNAMCS-CQSZACIVSA-N 0 3 266.385 2.455 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2c2nnc(C(C)C)o2)CC1 ZINC000370818585 395015118 /nfs/dbraw/zinc/01/51/18/395015118.db2.gz KATQEIXEUFATRD-GFCCVEGCSA-N 0 3 259.353 2.396 20 30 CEEDHN Cc1ccnc(N2C[C@@H](N3CCCC3)C[C@H]2C)c1C#N ZINC000286525810 395022969 /nfs/dbraw/zinc/02/29/69/395022969.db2.gz ZZSLGUHLHCQBLX-KGLIPLIRSA-N 0 3 270.380 2.325 20 30 CEEDHN C=CCC[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccco1 ZINC000285500011 394957913 /nfs/dbraw/zinc/95/79/13/394957913.db2.gz AESMXWBWLVUMHY-HUUCEWRRSA-N 0 3 277.412 2.122 20 30 CEEDHN C=CCC[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccco1 ZINC000285551630 394958519 /nfs/dbraw/zinc/95/85/19/394958519.db2.gz GQMUKMOEBOGMRE-STQMWFEESA-N 0 3 283.393 2.311 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CCC1CC1 ZINC000135292501 394964497 /nfs/dbraw/zinc/96/44/97/394964497.db2.gz AISXUCDKGLBQJG-CYBMUJFWSA-N 0 3 250.386 2.307 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)C(C)(F)F)CC1 ZINC000340000338 394976607 /nfs/dbraw/zinc/97/66/07/394976607.db2.gz USWSJJUVJSGZMM-NSHDSACASA-N 0 3 274.355 2.434 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H]1C[C@H](C)c2ccccc21 ZINC000290346117 395099863 /nfs/dbraw/zinc/09/98/63/395099863.db2.gz PUGVZWUNGCQLLP-WFASDCNBSA-N 0 3 279.405 2.425 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H]1C[C@H](C)c2ccccc21 ZINC000290346109 395099930 /nfs/dbraw/zinc/09/99/30/395099930.db2.gz PUGVZWUNGCQLLP-SWLSCSKDSA-N 0 3 279.405 2.425 20 30 CEEDHN CN(C)C1(CNC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000416307913 395051940 /nfs/dbraw/zinc/05/19/40/395051940.db2.gz NHBUYUQXVXVDPR-HNNXBMFYSA-N 0 3 285.391 2.284 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ncc2c(c1C#N)CCC2 ZINC000425222588 395052224 /nfs/dbraw/zinc/05/22/24/395052224.db2.gz ASDXLWGNMDILEQ-MLGOLLRUSA-N 0 3 284.407 2.218 20 30 CEEDHN C=CCCCCCN1CCC[C@@]2(CNC(=O)O2)C1 ZINC000373293375 395058458 /nfs/dbraw/zinc/05/84/58/395058458.db2.gz STNDLRRTFBLPRL-CQSZACIVSA-N 0 3 252.358 2.307 20 30 CEEDHN C[C@@H]1CN(CCCSCC#N)C[C@@H](C2CC2)O1 ZINC000373431504 395061116 /nfs/dbraw/zinc/06/11/16/395061116.db2.gz LTKHVVVWDHHSMV-YPMHNXCESA-N 0 3 254.399 2.133 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC23CC3)CC1 ZINC000416700304 395067872 /nfs/dbraw/zinc/06/78/72/395067872.db2.gz XTBYHSPPPKQALK-ZDUSSCGKSA-N 0 3 277.412 2.126 20 30 CEEDHN CC(C#N)C(=O)NCC1(c2ccncc2)CCCC1 ZINC000345562830 395070226 /nfs/dbraw/zinc/07/02/26/395070226.db2.gz XDCRSBLOGBXRJZ-LBPRGKRZSA-N 0 3 257.337 2.169 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000289168540 395071329 /nfs/dbraw/zinc/07/13/29/395071329.db2.gz FDBMEEUDULMDHZ-QGZVFWFLSA-N 0 3 280.375 2.172 20 30 CEEDHN CC(C)c1ccc(OCCNC(=O)C(C)C#N)cc1 ZINC000345824020 395079304 /nfs/dbraw/zinc/07/93/04/395079304.db2.gz ZNXUGSMPRSJTFY-GFCCVEGCSA-N 0 3 260.337 2.465 20 30 CEEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000289627839 395081897 /nfs/dbraw/zinc/08/18/97/395081897.db2.gz FAQFKNJXBNCEQT-MWLCHTKSSA-N 0 3 287.306 2.494 20 30 CEEDHN C=C[C@@H](CO)N[C@H](C)c1cc2c(C)nn(C)c2s1 ZINC000289707891 395084913 /nfs/dbraw/zinc/08/49/13/395084913.db2.gz IXLJBUBNWNKDJU-ZJUUUORDSA-N 0 3 265.382 2.141 20 30 CEEDHN C#CCOc1ccccc1CN(C)[C@@H]1CCC[C@H]1O ZINC000289811643 395088500 /nfs/dbraw/zinc/08/85/00/395088500.db2.gz SVWVFOFAGAXDKH-HUUCEWRRSA-N 0 3 259.349 2.044 20 30 CEEDHN CN1CC[C@@H]2CCN(c3cccc(F)c3C#N)C[C@H]21 ZINC000375043292 395089972 /nfs/dbraw/zinc/08/99/72/395089972.db2.gz VSILERGARSQLIG-IAQYHMDHSA-N 0 3 259.328 2.228 20 30 CEEDHN C#CCOc1ccc(CNCCc2nnc(C)s2)cc1 ZINC000289943745 395091706 /nfs/dbraw/zinc/09/17/06/395091706.db2.gz UNZUECRTPOHTCW-UHFFFAOYSA-N 0 3 287.388 2.191 20 30 CEEDHN CCC(C#N)S(=O)(=O)N(CCC#N)c1ccc(F)cc1 ZINC000416943523 395095417 /nfs/dbraw/zinc/09/54/17/395095417.db2.gz CGJXABAIKKAASI-CYBMUJFWSA-N 0 3 295.339 2.178 20 30 CEEDHN C=CCOc1ccccc1CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000346322707 395095572 /nfs/dbraw/zinc/09/55/72/395095572.db2.gz SYYYMOXSUSBGGR-IMJJTQAJSA-N 0 3 273.376 2.454 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](CC)N(C)C ZINC000287222642 395036103 /nfs/dbraw/zinc/03/61/03/395036103.db2.gz ITQYMCXFUCCHAG-HZPDHXFCSA-N 0 3 272.392 2.077 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)CF)C(C)C ZINC000287244193 395036527 /nfs/dbraw/zinc/03/65/27/395036527.db2.gz SPQFKXGAMQBGQD-ZIAGYGMSSA-N 0 3 285.407 2.342 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000290288690 395098889 /nfs/dbraw/zinc/09/88/89/395098889.db2.gz MQGMDNWJNSYOMT-XHSDSOJGSA-N 0 3 298.390 2.465 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000290288690 395098893 /nfs/dbraw/zinc/09/88/93/395098893.db2.gz MQGMDNWJNSYOMT-XHSDSOJGSA-N 0 3 298.390 2.465 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC000428030242 395132471 /nfs/dbraw/zinc/13/24/71/395132471.db2.gz COWMFIHJBBAHFS-AWEZNQCLSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCOCCCN1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000348051656 395133588 /nfs/dbraw/zinc/13/35/88/395133588.db2.gz LTUQSYYVAHXRNK-NEPJUHHUSA-N 0 3 281.318 2.357 20 30 CEEDHN CC(C)n1c(CCNC(=O)C(C)C#N)nc2ccccc21 ZINC000346823188 395108174 /nfs/dbraw/zinc/10/81/74/395108174.db2.gz CKKYHIQXZYCAPB-GFCCVEGCSA-N 0 3 284.363 2.436 20 30 CEEDHN CCC(C)(C)CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000432295909 395170332 /nfs/dbraw/zinc/17/03/32/395170332.db2.gz JEXQRMGSUZJTGD-CYBMUJFWSA-N 0 3 259.353 2.110 20 30 CEEDHN C#CCNC(=O)CCN(C)Cc1ccc2ccccc2c1 ZINC000293531131 395238805 /nfs/dbraw/zinc/23/88/05/395238805.db2.gz POGYOLRDSKFZHI-UHFFFAOYSA-N 0 3 280.371 2.411 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CC(C)C)CC1 ZINC000179218792 395184868 /nfs/dbraw/zinc/18/48/68/395184868.db2.gz YDLQLLMQWLMZMN-ZDUSSCGKSA-N 0 3 267.417 2.371 20 30 CEEDHN COC(=O)C[C@](C)(NCCCC#N)c1cccc(OC)c1 ZINC000352420655 395251247 /nfs/dbraw/zinc/25/12/47/395251247.db2.gz FINGFOXWNMTTAP-INIZCTEOSA-N 0 3 290.363 2.367 20 30 CEEDHN CC(C#N)C(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000352418198 395251355 /nfs/dbraw/zinc/25/13/55/395251355.db2.gz AACDGSDHHGYYLY-BFKGZMGPSA-N 0 3 278.377 2.103 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC2(C)C)CC1 ZINC000352417445 395251375 /nfs/dbraw/zinc/25/13/75/395251375.db2.gz PIPNHBSSZAPFRC-ZDUSSCGKSA-N 0 3 279.428 2.372 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CCO[C@@H]2CCN(CC)C[C@@H]21 ZINC000293791962 395252250 /nfs/dbraw/zinc/25/22/50/395252250.db2.gz CRLYWSPXZYUXBS-JKSUJKDBSA-N 0 3 292.423 2.076 20 30 CEEDHN CCc1ccc(C#CC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000293103756 395218082 /nfs/dbraw/zinc/21/80/82/395218082.db2.gz GDERAZVHILOBHU-YJBOKZPZSA-N 0 3 298.430 2.399 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000352992877 395282138 /nfs/dbraw/zinc/28/21/38/395282138.db2.gz RZKHFFZWXVZTPI-UONOGXRCSA-N 0 3 270.442 2.142 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000186241109 395286699 /nfs/dbraw/zinc/28/66/99/395286699.db2.gz FSPXUQZGIZTCCB-KRWDZBQOSA-N 0 3 299.418 2.021 20 30 CEEDHN C[C@@H]1CN(c2nccnc2C#N)CCN1CC1CC(C)(C)C1 ZINC000528403906 395289959 /nfs/dbraw/zinc/28/99/59/395289959.db2.gz LTBYYMJPOWAETA-CYBMUJFWSA-N 0 3 299.422 2.295 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](C)C(C)(C)C1 ZINC000354001564 395313144 /nfs/dbraw/zinc/31/31/44/395313144.db2.gz IOLFCSYUHSXFEA-KBPBESRZSA-N 0 3 279.428 2.363 20 30 CEEDHN C[C@@H](NCCc1ccn(C)n1)c1ccc(C#N)c(F)c1 ZINC000355047786 395355924 /nfs/dbraw/zinc/35/59/24/395355924.db2.gz YAJIYDCAERIUPO-LLVKDONJSA-N 0 3 272.327 2.324 20 30 CEEDHN CS(=O)(=O)Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000442714424 395391949 /nfs/dbraw/zinc/39/19/49/395391949.db2.gz LJKQMGFNGUEBJK-GJZGRUSLSA-N 0 3 292.404 2.013 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000411399189 395328642 /nfs/dbraw/zinc/32/86/42/395328642.db2.gz QOFQCWSIMBVMMT-IPYPFGDCSA-N 0 3 275.396 2.154 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000411399190 395328954 /nfs/dbraw/zinc/32/89/54/395328954.db2.gz QOFQCWSIMBVMMT-NFAWXSAZSA-N 0 3 275.396 2.154 20 30 CEEDHN C=CCN(C)C[C@H](O)COc1ccc(SC)cc1 ZINC000411566923 395331717 /nfs/dbraw/zinc/33/17/17/395331717.db2.gz JVFJQSQLEQOJDT-LBPRGKRZSA-N 0 3 267.394 2.266 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000411633750 395334558 /nfs/dbraw/zinc/33/45/58/395334558.db2.gz JTAUOCJQCGYWHP-GMTAPVOTSA-N 0 3 264.291 2.314 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000411724101 395337561 /nfs/dbraw/zinc/33/75/61/395337561.db2.gz YGHLQURTRCKYBJ-GHMZBOCLSA-N 0 3 264.291 2.458 20 30 CEEDHN Cc1cc(CNCC[C@@H](C)[S@](C)=O)ccc1C#N ZINC000443984779 395407794 /nfs/dbraw/zinc/40/77/94/395407794.db2.gz SWCICABKZYZUGZ-XIKOKIGWSA-N 0 3 264.394 2.113 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2CC=CC2)cc1 ZINC000529709674 395434939 /nfs/dbraw/zinc/43/49/39/395434939.db2.gz PPXWRPLALNPQCW-INIZCTEOSA-N 0 3 279.343 2.323 20 30 CEEDHN N#Cc1csc(CNC[C@H](O)Cc2cccc(F)c2)c1 ZINC000449364187 395546080 /nfs/dbraw/zinc/54/60/80/395546080.db2.gz QGCRHIYDMMREGV-CQSZACIVSA-N 0 3 290.363 2.452 20 30 CEEDHN C[C@@H](Nc1ccc(C#N)c(N)n1)[C@@H](c1ccccc1)N(C)C ZINC000566485838 395530661 /nfs/dbraw/zinc/53/06/61/395530661.db2.gz WHPUFDXYULABNS-WBMJQRKESA-N 0 3 295.390 2.061 20 30 CEEDHN Cn1nnc2cc(CN3CCC(CCC#N)CC3)ccc21 ZINC000567730426 395535661 /nfs/dbraw/zinc/53/56/61/395535661.db2.gz AIZJWHFEMMMXNE-UHFFFAOYSA-N 0 3 283.379 2.484 20 30 CEEDHN CC[C@@H]1[C@@H](C)CCN1Cc1cnc2c(C#N)cnn2c1 ZINC000567888796 395539699 /nfs/dbraw/zinc/53/96/99/395539699.db2.gz RLFDFIWZCPCUSS-SMDDNHRTSA-N 0 3 269.352 2.221 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000448809356 395541153 /nfs/dbraw/zinc/54/11/53/395541153.db2.gz FOPMYNTUWMSLJH-ZDUSSCGKSA-N 0 3 252.402 2.435 20 30 CEEDHN C[C@@H](C#N)CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000568460909 395560524 /nfs/dbraw/zinc/56/05/24/395560524.db2.gz SQOOSXLLDHKUJU-JSGCOSHPSA-N 0 3 263.385 2.059 20 30 CEEDHN N#CC1(CCCN2CC[C@H](OC(F)F)C2)CCOCC1 ZINC000568486797 395562305 /nfs/dbraw/zinc/56/23/05/395562305.db2.gz KUIYIUOEAZCWMO-LBPRGKRZSA-N 0 3 288.338 2.400 20 30 CEEDHN C=CCCCCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000569017028 395572309 /nfs/dbraw/zinc/57/23/09/395572309.db2.gz ISWPEOMDUIBWKX-CYBMUJFWSA-N 0 3 265.401 2.269 20 30 CEEDHN COc1ccccc1N1CC[C@H](CNCCC#N)C1 ZINC000569803096 395580713 /nfs/dbraw/zinc/58/07/13/395580713.db2.gz CBENKBLIVDGSMI-CYBMUJFWSA-N 0 3 259.353 2.025 20 30 CEEDHN CC1(C)CCCN1CCNc1nccc(C#N)c1Cl ZINC000450950731 395581809 /nfs/dbraw/zinc/58/18/09/395581809.db2.gz NMQITIHICJWEMQ-UHFFFAOYSA-N 0 3 278.787 2.315 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000570688205 395583063 /nfs/dbraw/zinc/58/30/63/395583063.db2.gz XDRLOGHYVIMRAR-MXWKQRLJSA-N 0 3 264.291 2.171 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451654096 395623853 /nfs/dbraw/zinc/62/38/53/395623853.db2.gz OKLGHXSHSGGDET-ZNMIVQPWSA-N 0 3 287.407 2.006 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H]1COCC1(C)C ZINC000451808033 395625157 /nfs/dbraw/zinc/62/51/57/395625157.db2.gz CTUQFKYNGKBVOQ-AWEZNQCLSA-N 0 3 260.337 2.081 20 30 CEEDHN Cc1ccc(C[C@@H](CO)NCc2ccc(C#N)o2)cc1C ZINC000453609777 395628428 /nfs/dbraw/zinc/62/84/28/395628428.db2.gz BHEAXKBKNOHXRE-HNNXBMFYSA-N 0 3 284.359 2.461 20 30 CEEDHN CC1(C)CCCN1CCNC(=O)c1ccc(C#N)s1 ZINC000457045216 395634675 /nfs/dbraw/zinc/63/46/75/395634675.db2.gz ACEYKGGJYUJEGK-UHFFFAOYSA-N 0 3 277.393 2.224 20 30 CEEDHN CCN1C[C@H](C)N(Cc2cc(C#N)ccc2OC)[C@@H](C)C1 ZINC000459487116 395666190 /nfs/dbraw/zinc/66/61/90/395666190.db2.gz VOKMIJCWEBTYEW-KBPBESRZSA-N 0 3 287.407 2.481 20 30 CEEDHN CON1CCC(N(C)Cc2ccc(F)c(C#N)c2)CC1 ZINC000459573657 395666488 /nfs/dbraw/zinc/66/64/88/395666488.db2.gz CPDZMUCYDNVBBF-UHFFFAOYSA-N 0 3 277.343 2.155 20 30 CEEDHN CO[C@H]1C[C@@H](NCC(=O)Nc2cccc(C#N)c2)C12CCC2 ZINC000459739139 395666682 /nfs/dbraw/zinc/66/66/82/395666682.db2.gz ATTLZUJLCQRXNU-CABCVRRESA-N 0 3 299.374 2.044 20 30 CEEDHN CC(C)[C@@H]1CN(c2ccc(Cl)c(C#N)n2)CCN1C ZINC000487093871 395667067 /nfs/dbraw/zinc/66/70/67/395667067.db2.gz JJKZHOZXNJAADF-ZDUSSCGKSA-N 0 3 278.787 2.383 20 30 CEEDHN Cc1cc(CN2CCC[C@@H](CCC(N)=O)C2)ccc1C#N ZINC000487912740 395667597 /nfs/dbraw/zinc/66/75/97/395667597.db2.gz GXHUMNOPGLFJAF-AWEZNQCLSA-N 0 3 285.391 2.344 20 30 CEEDHN Cc1cc(CN2CCC[C@@H](C)[C@H]2CO)ccc1C#N ZINC000488137205 395668211 /nfs/dbraw/zinc/66/82/11/395668211.db2.gz UCIHKZQSJBPGEI-MLGOLLRUSA-N 0 3 258.365 2.460 20 30 CEEDHN C[C@@H]1C[C@H]1N1CCN(c2cnccc2C#N)C[C@@H](C)C1 ZINC000488737892 395668399 /nfs/dbraw/zinc/66/83/99/395668399.db2.gz SHJXUFYHVPYARY-GZBFAFLISA-N 0 3 270.380 2.120 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(CC(=O)NC2CCCC2)CC1 ZINC000649255767 396103735 /nfs/dbraw/zinc/10/37/35/396103735.db2.gz APCZZXTWMHLOAW-MRXNPFEDSA-N 0 3 294.439 2.084 20 30 CEEDHN C=C(C)[C@H](CO)N1CCN(C2CCC(C)CC2)CC1 ZINC000649314454 396119223 /nfs/dbraw/zinc/11/92/23/396119223.db2.gz PCBVKVOEYWEOMS-GPANFISMSA-N 0 3 266.429 2.120 20 30 CEEDHN C=CCOCCN1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000649827538 396269148 /nfs/dbraw/zinc/26/91/48/396269148.db2.gz RCGNHFKZPFXTMY-KRWDZBQOSA-N 0 3 274.408 2.048 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000186122768 400291829 /nfs/dbraw/zinc/29/18/29/400291829.db2.gz UYQBUSMVXHIHGA-ZBFHGGJFSA-N 0 3 285.391 2.144 20 30 CEEDHN CC1CCN(CCNC(=O)/C=C\c2ccc(C#N)cc2)CC1 ZINC000491235413 400590193 /nfs/dbraw/zinc/59/01/93/400590193.db2.gz AJFLRTXMRNGZRX-SREVYHEPSA-N 0 3 297.402 2.420 20 30 CEEDHN C=C(CC)CNC(=O)N(C)CCN1CCCCC1 ZINC000651144023 401278977 /nfs/dbraw/zinc/27/89/77/401278977.db2.gz UCTIWAMPGWINSB-UHFFFAOYSA-N 0 3 253.390 2.080 20 30 CEEDHN CCc1cnc(CCNCc2cc(C#N)n(C)c2)s1 ZINC000191229441 153165310 /nfs/dbraw/zinc/16/53/10/153165310.db2.gz GHJASBYXWPIBPJ-UHFFFAOYSA-N 0 3 274.393 2.248 20 30 CEEDHN CCCNC(=O)CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360830439 155382195 /nfs/dbraw/zinc/38/21/95/155382195.db2.gz CQSLAVNWFWXVRH-INIZCTEOSA-N 0 3 285.391 2.442 20 30 CEEDHN CC(C)N(Cc1cccc(C#N)c1)C[C@H]1CCC(=O)N1 ZINC000346609380 154292145 /nfs/dbraw/zinc/29/21/45/154292145.db2.gz UWWNNIBYPDUFLQ-OAHLLOKOSA-N 0 3 271.364 2.047 20 30 CEEDHN CCc1nnc(N2CC[C@@]3(CCN(C)C3)C2)c(C#N)c1CC ZINC000368300296 156318530 /nfs/dbraw/zinc/31/85/30/156318530.db2.gz WWRXAKJWGMJWAF-QGZVFWFLSA-N 0 3 299.422 2.005 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000368456684 156346713 /nfs/dbraw/zinc/34/67/13/156346713.db2.gz CCDFLGYCYQKLKP-OAHLLOKOSA-N 0 3 293.374 2.140 20 30 CEEDHN C[C@H]1CCOCCN1CCOc1cccc(C#N)c1 ZINC000375004935 157037680 /nfs/dbraw/zinc/03/76/80/157037680.db2.gz PBVUWKCFNAHVSA-ZDUSSCGKSA-N 0 3 260.337 2.048 20 30 CEEDHN C[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)N1CCCC1 ZINC000548073582 298391533 /nfs/dbraw/zinc/39/15/33/298391533.db2.gz SCUXMOXEMCHPPL-AWEZNQCLSA-N 0 3 297.402 2.190 20 30 CEEDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C1CC1 ZINC000178493110 165243439 /nfs/dbraw/zinc/24/34/39/165243439.db2.gz HKKIQVHZMLXZKY-AWEZNQCLSA-N 0 3 299.418 2.495 20 30 CEEDHN Cc1nn(C)cc1[C@@H](C)NCCOc1ccc(C#N)cc1 ZINC000181155029 165333215 /nfs/dbraw/zinc/33/32/15/165333215.db2.gz KLDJXPWKIPJCBO-GFCCVEGCSA-N 0 3 284.363 2.330 20 30 CEEDHN CCN1CCC(NC(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000285033350 196182081 /nfs/dbraw/zinc/18/20/81/196182081.db2.gz PBNWGENQDGZAJG-UHFFFAOYSA-N 0 3 291.782 2.426 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000338672479 262555050 /nfs/dbraw/zinc/55/50/50/262555050.db2.gz DBPJIMBCBKYOCL-LSDHHAIUSA-N 0 3 280.412 2.054 20 30 CEEDHN CC[C@H](O)CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285488776 196301850 /nfs/dbraw/zinc/30/18/50/196301850.db2.gz MDYRAJCIMKGYSM-ZDUSSCGKSA-N 0 3 292.354 2.311 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)c1cc(C#N)c[nH]1 ZINC000285786449 196398134 /nfs/dbraw/zinc/39/81/34/196398134.db2.gz SWDJIOSJQMKXGG-UHFFFAOYSA-N 0 3 288.395 2.224 20 30 CEEDHN C=CCCn1cc(CN[C@H](C)CN2CCC[C@@H](C)C2)nn1 ZINC000657327964 414862829 /nfs/dbraw/zinc/86/28/29/414862829.db2.gz ORPRCLXTEQOLIL-HUUCEWRRSA-N 0 3 291.443 2.064 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000660704397 414940662 /nfs/dbraw/zinc/94/06/62/414940662.db2.gz NPFGSALAKQPRTB-YCPHGPKFSA-N 0 3 291.439 2.372 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000660702967 414941015 /nfs/dbraw/zinc/94/10/15/414941015.db2.gz NCCVJGZNTSJAFG-HOCLYGCPSA-N 0 3 291.439 2.468 20 30 CEEDHN C=CCN1CCC(Nc2cc(Br)cnn2)CC1 ZINC000663568926 414989373 /nfs/dbraw/zinc/98/93/73/414989373.db2.gz ABOWKRALDJNMFJ-UHFFFAOYSA-N 0 3 297.200 2.301 20 30 CEEDHN C=CCCn1cc(CNC[C@@H]2N(C)CCCC2(C)C)nn1 ZINC000657454960 414946802 /nfs/dbraw/zinc/94/68/02/414946802.db2.gz OMVRZYMVJUEIIA-HNNXBMFYSA-N 0 3 291.443 2.064 20 30 CEEDHN C=CCC1(NC(=O)NC2CCN(C)CC2)CCCC1 ZINC000663445651 414955264 /nfs/dbraw/zinc/95/52/64/414955264.db2.gz KBRPMLJFGOXSDN-UHFFFAOYSA-N 0 3 265.401 2.269 20 30 CEEDHN C=CCCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000661028494 415070448 /nfs/dbraw/zinc/07/04/48/415070448.db2.gz NNBHULZEXWVXJX-HOCLYGCPSA-N 0 3 287.407 2.382 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000660890479 415022685 /nfs/dbraw/zinc/02/26/85/415022685.db2.gz VUGNOVMRYSSWOO-DMRZNYOFSA-N 0 3 289.423 2.362 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccn(C(C)(C)C)n2)CC1 ZINC000654747828 415025821 /nfs/dbraw/zinc/02/58/21/415025821.db2.gz NSHMXNJRSAYHHH-UHFFFAOYSA-N 0 3 290.411 2.018 20 30 CEEDHN C=CCN(C[C@@H](O)Cc1ccccc1)[C@H](C)COC ZINC000661240700 415151893 /nfs/dbraw/zinc/15/18/93/415151893.db2.gz QFIOUAGKHPSHCY-ZBFHGGJFSA-N 0 3 263.381 2.113 20 30 CEEDHN COC[C@@H](NCC#Cc1ccccc1)C1CCOCC1 ZINC000661158623 415114335 /nfs/dbraw/zinc/11/43/35/415114335.db2.gz OSCWTKCDDJRXAL-QGZVFWFLSA-N 0 3 273.376 2.069 20 30 CEEDHN C[C@@]12COC[C@H]1CN(CC#Cc1ccc(F)cc1)C2 ZINC000661700009 415408696 /nfs/dbraw/zinc/40/86/96/415408696.db2.gz LXRWYKWFMXNYMA-GDBMZVCRSA-N 0 3 259.324 2.146 20 30 CEEDHN C=CC(C)(C)CNC(=O)N[C@@H](CC)CN1CCCC1 ZINC000655680435 415382047 /nfs/dbraw/zinc/38/20/47/415382047.db2.gz LXPKNQMVAORKTF-ZDUSSCGKSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCOCCCNC(=O)Nc1ccccc1CNC ZINC000659020354 415390197 /nfs/dbraw/zinc/39/01/97/415390197.db2.gz VXQZQTNGJNJKRA-UHFFFAOYSA-N 0 3 277.368 2.120 20 30 CEEDHN C=CCN(CC=C)C(=O)C[C@H]1NCc2ccccc21 ZINC000659271164 415483984 /nfs/dbraw/zinc/48/39/84/415483984.db2.gz NFNGFTHMWBNMMY-OAHLLOKOSA-N 0 3 256.349 2.422 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000664812546 415485518 /nfs/dbraw/zinc/48/55/18/415485518.db2.gz YSQJQNMQJVMATA-UONOGXRCSA-N 0 3 267.417 2.467 20 30 CEEDHN COCC#CCN[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661837447 415492763 /nfs/dbraw/zinc/49/27/63/415492763.db2.gz BOESAOFHLJVVQZ-ZIAGYGMSSA-N 0 3 265.397 2.352 20 30 CEEDHN C=CCC[C@H](O)CN1CCc2cc(OC)ccc2C1 ZINC000661740189 415435532 /nfs/dbraw/zinc/43/55/32/415435532.db2.gz KYOJKEAJQJHJSZ-HNNXBMFYSA-N 0 3 261.365 2.380 20 30 CEEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)CN(C)C ZINC000664894937 415515082 /nfs/dbraw/zinc/51/50/82/415515082.db2.gz BVIUEHYNGWUNOU-IHRRRGAJSA-N 0 3 267.417 2.371 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC(C1CC1)C1CC1 ZINC000662084896 415618324 /nfs/dbraw/zinc/61/83/24/415618324.db2.gz AKEFYWDUMQUCQU-GASCZTMLSA-N 0 3 274.408 2.474 20 30 CEEDHN C[C@@H](CNc1ncccc1C#N)N1CCC[C@@H](C)C1 ZINC000071954245 176304325 /nfs/dbraw/zinc/30/43/25/176304325.db2.gz LRJPSOHTJORHCT-OLZOCXBDSA-N 0 3 258.369 2.486 20 30 CEEDHN C[C@@H]1CCCC[C@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000355087256 287317807 /nfs/dbraw/zinc/31/78/07/287317807.db2.gz MIUROZTWJAICHM-DFBGVHRSSA-N 0 3 271.364 2.253 20 30 CEEDHN C=CCN(C(=O)N[C@@H]1CCN(C(C)(C)C)C1)C1CC1 ZINC000665554995 415778459 /nfs/dbraw/zinc/77/84/59/415778459.db2.gz VYIHXWFTXZDWNB-GFCCVEGCSA-N 0 3 265.401 2.219 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@H](OC)[C@@H]1CCOC1 ZINC000660223601 415930293 /nfs/dbraw/zinc/93/02/93/415930293.db2.gz DXAPWXXFGSBHDH-ZBFHGGJFSA-N 0 3 279.380 2.362 20 30 CEEDHN C=CCCNC(=O)NCC(C)(C)N1CCCCC1 ZINC000660248438 415940126 /nfs/dbraw/zinc/94/01/26/415940126.db2.gz GUCPXMCHPFKYNU-UHFFFAOYSA-N 0 3 253.390 2.126 20 30 CEEDHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CCCCC#N ZINC000077377293 177260805 /nfs/dbraw/zinc/26/08/05/177260805.db2.gz IZZHOERTFBNBAX-LBPRGKRZSA-N 0 3 295.408 2.021 20 30 CEEDHN C[C@H]1CN(C(=O)CCCC#N)CCN(C2CCC2)C1 ZINC000344712903 225156125 /nfs/dbraw/zinc/15/61/25/225156125.db2.gz KYCDSCJLUMFLDJ-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN CC(C#N)C(=O)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000347067486 226011766 /nfs/dbraw/zinc/01/17/66/226011766.db2.gz KODAFGPBQFMRDI-GTBONMDNSA-N 0 3 283.375 2.004 20 30 CEEDHN COCCN(CCCc1ccccc1)C(=O)C(C)C#N ZINC000347029312 226018489 /nfs/dbraw/zinc/01/84/89/226018489.db2.gz BABXFHGNGKEOKP-AWEZNQCLSA-N 0 3 274.364 2.254 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000335264970 226098136 /nfs/dbraw/zinc/09/81/36/226098136.db2.gz SVVMCZOALBJOBG-ZJUUUORDSA-N 0 3 264.275 2.440 20 30 CEEDHN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)C(C)C#N)cc1 ZINC000347434643 226156099 /nfs/dbraw/zinc/15/60/99/226156099.db2.gz UBEJBAYDDMTLCN-YUELXQCFSA-N 0 3 272.348 2.491 20 30 CEEDHN CO[C@@H](CNC(=O)C(C)C#N)c1cccc(Cl)c1 ZINC000347760426 226378243 /nfs/dbraw/zinc/37/82/43/226378243.db2.gz YDTMZFCRHQZOCH-CABZTGNLSA-N 0 3 266.728 2.303 20 30 CEEDHN CC(C#N)C(=O)NCc1ccccc1OCC1CC1 ZINC000352710907 227180504 /nfs/dbraw/zinc/18/05/04/227180504.db2.gz UTUAJZQXRZINHQ-LLVKDONJSA-N 0 3 258.321 2.251 20 30 CEEDHN Cc1nnc(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[n-]1 ZINC000329086855 227288756 /nfs/dbraw/zinc/28/87/56/227288756.db2.gz HBDDMHTYNOGEJH-ZDUSSCGKSA-N 0 3 291.399 2.019 20 30 CEEDHN Cc1nnc(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[n-]1 ZINC000329086855 227288761 /nfs/dbraw/zinc/28/87/61/227288761.db2.gz HBDDMHTYNOGEJH-ZDUSSCGKSA-N 0 3 291.399 2.019 20 30 CEEDHN N#Cc1cc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)ccn1 ZINC000330032600 228022556 /nfs/dbraw/zinc/02/25/56/228022556.db2.gz UZBJOKAMGZGQIU-CYBMUJFWSA-N 0 3 284.363 2.275 20 30 CEEDHN CSc1c(C(=O)N[C@H](C)C2=CCN(C)CC2)cnn1C ZINC000330057798 228028157 /nfs/dbraw/zinc/02/81/57/228028157.db2.gz YARSKFVMHOSCIU-SNVBAGLBSA-N 0 3 294.424 2.097 20 30 CEEDHN C=CCCNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000665947087 419487727 /nfs/dbraw/zinc/48/77/27/419487727.db2.gz CXLIMIANQOSYKL-UHFFFAOYSA-N 0 3 279.384 2.237 20 30 CEEDHN C#C[C@H](NC[C@H](O)c1c(F)cccc1F)C(C)C ZINC000305927461 260106410 /nfs/dbraw/zinc/10/64/10/260106410.db2.gz NULWPRXEMXHSTC-STQMWFEESA-N 0 3 253.292 2.246 20 30 CEEDHN C=CCCCN1CCCN(c2ncccc2C#N)CC1 ZINC000117874470 260117682 /nfs/dbraw/zinc/11/76/82/260117682.db2.gz JOXOGAOXFZNJDD-UHFFFAOYSA-N 0 3 270.380 2.432 20 30 CEEDHN C#Cc1ccc(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000367954467 260143280 /nfs/dbraw/zinc/14/32/80/260143280.db2.gz BTBMBOGYNMHIOU-QZTJIDSGSA-N 0 3 299.414 2.468 20 30 CEEDHN Cc1noc([C@@H]2CCCN([C@H]3CC[C@H](C#N)C3)C2)n1 ZINC000407991174 260154804 /nfs/dbraw/zinc/15/48/04/260154804.db2.gz STEPVXFGIDXKRL-XQQFMLRXSA-N 0 3 260.341 2.250 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNCc1ccc(C#N)o1 ZINC000447896988 260155739 /nfs/dbraw/zinc/15/57/39/260155739.db2.gz KSPGDEIZPTWJQI-CQSZACIVSA-N 0 3 261.369 2.361 20 30 CEEDHN C=CC[C@H](C)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447960580 260185201 /nfs/dbraw/zinc/18/52/01/260185201.db2.gz AKBPRSWFHAZJHP-STQMWFEESA-N 0 3 267.417 2.371 20 30 CEEDHN CSC[C@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000187768745 274178353 /nfs/dbraw/zinc/17/83/53/274178353.db2.gz IKFGAZIGNGCYKY-OAHLLOKOSA-N 0 3 276.405 2.247 20 30 CEEDHN CC(C#N)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427593292 260776822 /nfs/dbraw/zinc/77/68/22/260776822.db2.gz JTSRFGQBDSDVDG-JTQLQIEISA-N 0 3 273.292 2.245 20 30 CEEDHN CC1(C#N)CCC(N[C@@H](C(N)=O)c2ccccc2)CC1 ZINC000449069861 261147923 /nfs/dbraw/zinc/14/79/23/261147923.db2.gz AFCMCXBMKADOJO-NPCAHTBFSA-N 0 3 271.364 2.275 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H]2CCCC[C@@H]2C1 ZINC000177552565 261360229 /nfs/dbraw/zinc/36/02/29/261360229.db2.gz CNIBRLIYEPZPPV-FMKPAKJESA-N 0 3 277.412 2.163 20 30 CEEDHN CCN(CCC#N)C(=O)CN1C[C@H]2CCCCC[C@@H]21 ZINC000363926391 262036909 /nfs/dbraw/zinc/03/69/09/262036909.db2.gz WBGDNMBBSCKINE-KGLIPLIRSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@@H](O)CN(Cc1ccccc1C(C)(C)C#N)[C@@H](C)CO ZINC000190845689 262185993 /nfs/dbraw/zinc/18/59/93/262185993.db2.gz UIASNBPJAWBBFU-UONOGXRCSA-N 0 3 290.407 2.051 20 30 CEEDHN C=CCOc1ccc(CNCCC[S@@](C)=O)cc1 ZINC000116919817 262195103 /nfs/dbraw/zinc/19/51/03/262195103.db2.gz VXHBYKRVEHTYEJ-SFHVURJKSA-N 0 3 267.394 2.110 20 30 CEEDHN Cn1cc(CNC[C@@H]2CCCC2(F)F)cc1C#N ZINC000390666101 262237115 /nfs/dbraw/zinc/23/71/15/262237115.db2.gz MVEGNSVSSNKENV-NSHDSACASA-N 0 3 253.296 2.422 20 30 CEEDHN C[C@@H]1OCC[C@@]12CN(CCCC(C)(C)C#N)CCO2 ZINC000365548809 262369657 /nfs/dbraw/zinc/36/96/57/262369657.db2.gz ALAJAGRISUJSCS-DZGCQCFKSA-N 0 3 266.385 2.196 20 30 CEEDHN C[C@@H]1CN(CC(C)(C)CCC#N)C[C@]2(CCOC2)O1 ZINC000373491963 262370086 /nfs/dbraw/zinc/37/00/86/262370086.db2.gz AAHPPNCVOYTOOF-HIFRSBDPSA-N 0 3 266.385 2.196 20 30 CEEDHN CC#CCN1CCC(O)(Cc2ccc(C)cc2)CC1 ZINC000365557132 262370223 /nfs/dbraw/zinc/37/02/23/262370223.db2.gz QHTOFYNVJWZMFP-UHFFFAOYSA-N 0 3 257.377 2.388 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2ccccc2Cn2cncn2)C1 ZINC000337812807 262473773 /nfs/dbraw/zinc/47/37/73/262473773.db2.gz MESMWUHRCCLLIP-BBRMVZONSA-N 0 3 281.363 2.108 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2Cn2cncn2)C1 ZINC000337812811 262473950 /nfs/dbraw/zinc/47/39/50/262473950.db2.gz MESMWUHRCCLLIP-XJKSGUPXSA-N 0 3 281.363 2.108 20 30 CEEDHN CN1CC=C(CNC(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000271880463 263000097 /nfs/dbraw/zinc/00/00/97/263000097.db2.gz BUWVOMHIXFKRGU-UHFFFAOYSA-N 0 3 284.363 2.136 20 30 CEEDHN CC[C@@H](CC#N)N[C@@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000274421844 263023942 /nfs/dbraw/zinc/02/39/42/263023942.db2.gz LKUXXERYPHGWKL-STQMWFEESA-N 0 3 299.374 2.343 20 30 CEEDHN CC[C@H](CC#N)N[C@@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000274421841 263024023 /nfs/dbraw/zinc/02/40/23/263024023.db2.gz LKUXXERYPHGWKL-QWHCGFSZSA-N 0 3 299.374 2.343 20 30 CEEDHN CN(C)CCc1ccccc1NC(=O)NCCCC#N ZINC000275651380 263033806 /nfs/dbraw/zinc/03/38/06/263033806.db2.gz MUVUUCYCLAVOMF-UHFFFAOYSA-N 0 3 274.368 2.216 20 30 CEEDHN Cn1cc([C@H]2OCCC[C@@H]2N[C@H]2CCC[C@@H](C#N)C2)cn1 ZINC000278457165 263048203 /nfs/dbraw/zinc/04/82/03/263048203.db2.gz ZDCADQCXMRCZIQ-SYAUCNOPSA-N 0 3 288.395 2.312 20 30 CEEDHN CCCN(CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279684001 263056679 /nfs/dbraw/zinc/05/66/79/263056679.db2.gz HDLYSUVVCLDZMC-HNNXBMFYSA-N 0 3 269.348 2.499 20 30 CEEDHN C[C@@H]1C[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280840189 263064594 /nfs/dbraw/zinc/06/45/94/263064594.db2.gz OZOCNAFUAIVWOX-BYCMXARLSA-N 0 3 267.332 2.013 20 30 CEEDHN COC(=O)c1coc(CNCC2CCC(C#N)CC2)c1 ZINC000282331076 263075966 /nfs/dbraw/zinc/07/59/66/263075966.db2.gz ODQVMGAFFRXFNM-UHFFFAOYSA-N 0 3 276.336 2.486 20 30 CEEDHN CC[C@H](CC#N)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290561860 263117543 /nfs/dbraw/zinc/11/75/43/263117543.db2.gz SKNBECVVFCXVQN-RDBSUJKOSA-N 0 3 286.331 2.099 20 30 CEEDHN CCC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000291127835 263120221 /nfs/dbraw/zinc/12/02/21/263120221.db2.gz VTVHPMGHNYFNIT-HNNXBMFYSA-N 0 3 281.359 2.499 20 30 CEEDHN C#Cc1ccc(CN[C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000366679603 263120624 /nfs/dbraw/zinc/12/06/24/263120624.db2.gz NQGXZLIKGWDGBQ-QZTJIDSGSA-N 0 3 263.340 2.416 20 30 CEEDHN Cn1nccc1C1=CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000293694161 263147273 /nfs/dbraw/zinc/14/72/73/263147273.db2.gz WNECTUOOVIWCOY-OCCSQVGLSA-N 0 3 256.353 2.201 20 30 CEEDHN N#CCCCN(Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000298735180 263224709 /nfs/dbraw/zinc/22/47/09/263224709.db2.gz VVDLEZJRADTCDL-UHFFFAOYSA-N 0 3 257.337 2.054 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000340716089 263303691 /nfs/dbraw/zinc/30/36/91/263303691.db2.gz NNPOZEGQJYHNOJ-GHMZBOCLSA-N 0 3 284.319 2.116 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000341166171 263324886 /nfs/dbraw/zinc/32/48/86/263324886.db2.gz KBFVEXCKYLRXBU-CABCVRRESA-N 0 3 280.412 2.054 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000341183547 263325928 /nfs/dbraw/zinc/32/59/28/263325928.db2.gz ALJONZGYXQCEBE-CHWSQXEVSA-N 0 3 253.390 2.077 20 30 CEEDHN C=C[C@@H](C)NC1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1 ZINC000341312968 263334052 /nfs/dbraw/zinc/33/40/52/263334052.db2.gz PAUAOZXGIFUQOY-GFCCVEGCSA-N 0 3 297.395 2.203 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(C)CCN(C)C1CC1 ZINC000341374474 263335171 /nfs/dbraw/zinc/33/51/71/263335171.db2.gz LSMUASJWSOGPRQ-LBPRGKRZSA-N 0 3 253.390 2.077 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccn(C(C)C)n2)CC1 ZINC000330735200 264037486 /nfs/dbraw/zinc/03/74/86/264037486.db2.gz MBFADNTUIVNRBY-UHFFFAOYSA-N 0 3 290.411 2.234 20 30 CEEDHN CCOc1cccnc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000331134897 264134284 /nfs/dbraw/zinc/13/42/84/264134284.db2.gz USJZPCXJJRUBAK-NWDGAFQWSA-N 0 3 277.368 2.268 20 30 CEEDHN CC(C)[C@H]1CN(C)CCN1Cc1cccc(C#N)c1F ZINC000425468683 264341660 /nfs/dbraw/zinc/34/16/60/264341660.db2.gz DLBLDAPJEVNLAH-OAHLLOKOSA-N 0 3 275.371 2.469 20 30 CEEDHN C=CCC[C@@H](NCCCS(C)(=O)=O)c1ccco1 ZINC000286351180 264577795 /nfs/dbraw/zinc/57/77/95/264577795.db2.gz YTOSFRRYWRTGPC-GFCCVEGCSA-N 0 3 271.382 2.311 20 30 CEEDHN O[C@H]1CCN(CC#Cc2ccccc2)C12CCCC2 ZINC000292631293 264885368 /nfs/dbraw/zinc/88/53/68/264885368.db2.gz GVEDJMFLYOOTBM-INIZCTEOSA-N 0 3 255.361 2.418 20 30 CEEDHN C=CCC[C@H](CO)N[C@H](C)c1cnc2cc(C)nn2c1C ZINC000320668368 265000545 /nfs/dbraw/zinc/00/05/45/265000545.db2.gz RTIIYOCDZWYGPV-TZMCWYRMSA-N 0 3 288.395 2.324 20 30 CEEDHN C=CC[C@@H](CO)CNCc1ccc([N+](=O)[O-])cc1F ZINC000350341591 265248794 /nfs/dbraw/zinc/24/87/94/265248794.db2.gz KDNAJIJEKAAAHN-SNVBAGLBSA-N 0 3 268.288 2.008 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2cnn3c2CCCC3)nc(C)n1 ZINC000333119867 265940456 /nfs/dbraw/zinc/94/04/56/265940456.db2.gz UTUNTKIWGSXCAT-LBPRGKRZSA-N 0 3 295.346 2.116 20 30 CEEDHN C=CCCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000356244369 266080075 /nfs/dbraw/zinc/08/00/75/266080075.db2.gz HYTWSZVABPGISN-KGLIPLIRSA-N 0 3 262.397 2.428 20 30 CEEDHN CC[C@]1(CNC(=O)C(C)C#N)OCCc2ccccc21 ZINC000356686416 266159077 /nfs/dbraw/zinc/15/90/77/266159077.db2.gz UXGCIAZSDNIFNT-MLGOLLRUSA-N 0 3 272.348 2.140 20 30 CEEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)C2CC2)cc1 ZINC000356881401 266203885 /nfs/dbraw/zinc/20/38/85/266203885.db2.gz MQJCMHMUUFFVON-UHFFFAOYSA-N 0 3 288.391 2.418 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000356903679 266208771 /nfs/dbraw/zinc/20/87/71/266208771.db2.gz BDVGOQVCCCFNSU-RITPCOANSA-N 0 3 263.244 2.022 20 30 CEEDHN CN(CCC#N)C(=O)CCN1CC[C@H]1Cc1ccccc1 ZINC000357013120 266232000 /nfs/dbraw/zinc/23/20/00/266232000.db2.gz ZVPLPOWNKBPFQS-INIZCTEOSA-N 0 3 285.391 2.066 20 30 CEEDHN CC(C#N)C(=O)N(C)CCOc1cccc(Cl)c1 ZINC000357798425 266364744 /nfs/dbraw/zinc/36/47/44/266364744.db2.gz LJFDESLSXBETLA-SNVBAGLBSA-N 0 3 266.728 2.337 20 30 CEEDHN CC#CCCNCc1ccc(OCCOC)c(OC)c1 ZINC000360958453 266760892 /nfs/dbraw/zinc/76/08/92/266760892.db2.gz PSLXJGPYYHJAEY-UHFFFAOYSA-N 0 3 277.364 2.223 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCC(CC)(CC)CC1 ZINC000362586890 267011944 /nfs/dbraw/zinc/01/19/44/267011944.db2.gz ICYSHCQLZZTFJP-ZDUSSCGKSA-N 0 3 295.427 2.289 20 30 CEEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)/C=C\CN(C)C ZINC000491870925 267012958 /nfs/dbraw/zinc/01/29/58/267012958.db2.gz PRHIBWFJZNPRBI-WAYWQWQTSA-N 0 3 285.391 2.415 20 30 CEEDHN CCC[C@H]1CNCCN1c1nccc(C#N)c1Cl ZINC000420229949 267038840 /nfs/dbraw/zinc/03/88/40/267038840.db2.gz HWSWKRAGRHYHHG-NSHDSACASA-N 0 3 264.760 2.185 20 30 CEEDHN C=CCOc1cccc(CN[C@H](C(=O)NC)C(C)C)c1 ZINC000362955656 267066824 /nfs/dbraw/zinc/06/68/24/267066824.db2.gz SIZNKPIERGNSGC-HNNXBMFYSA-N 0 3 276.380 2.112 20 30 CEEDHN CC(C)[C@@]1(CO)CCN(CC#Cc2ccccc2)C1 ZINC000368050896 267142962 /nfs/dbraw/zinc/14/29/62/267142962.db2.gz IORVMHBPWJTHCE-KRWDZBQOSA-N 0 3 257.377 2.379 20 30 CEEDHN CCO[C@@H]1COC[C@H]1N[C@@H](CC)c1ccc(C#N)cc1 ZINC000453355441 267149129 /nfs/dbraw/zinc/14/91/29/267149129.db2.gz MGDUTWFQZFGVLF-ARFHVFGLSA-N 0 3 274.364 2.403 20 30 CEEDHN CCO[C@@]1(C)C[C@H]1NCc1ccc(OC)c(C#N)c1 ZINC000527782957 267155348 /nfs/dbraw/zinc/15/53/48/267155348.db2.gz BXMDKIJZEIFXFO-CABCVRRESA-N 0 3 260.337 2.224 20 30 CEEDHN CC[C@H](NCCn1cnc(C#N)n1)c1ccc(F)cc1 ZINC000507216441 267222314 /nfs/dbraw/zinc/22/23/14/267222314.db2.gz USVOIJMLHJRAJC-ZDUSSCGKSA-N 0 3 273.315 2.030 20 30 CEEDHN CC[C@H](N[C@@H]1CCCN(C)C1=O)c1ccc(C#N)cc1 ZINC000447587728 267223074 /nfs/dbraw/zinc/22/30/74/267223074.db2.gz RZUGIHSGFGFHFI-LSDHHAIUSA-N 0 3 271.364 2.220 20 30 CEEDHN C#CCOc1ccccc1CN1CCCC[C@H](CO)C1 ZINC000371331469 267392088 /nfs/dbraw/zinc/39/20/88/267392088.db2.gz ICYMJXHHENWZIV-HNNXBMFYSA-N 0 3 273.376 2.293 20 30 CEEDHN C=CCCN1CCC[C@H](c2n[nH]cc2NC(=O)NCC)C1 ZINC000371604752 267434911 /nfs/dbraw/zinc/43/49/11/267434911.db2.gz FOIUNKQNVOEZMU-LBPRGKRZSA-N 0 3 291.399 2.307 20 30 CEEDHN N#CCCCCN[C@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000372227817 267530716 /nfs/dbraw/zinc/53/07/16/267530716.db2.gz PBHIMETVTZUIKT-ZDUSSCGKSA-N 0 3 296.367 2.328 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000514994220 267609229 /nfs/dbraw/zinc/60/92/29/267609229.db2.gz ZGVDXEWLJSRHNG-BMFZPTHFSA-N 0 3 286.375 2.470 20 30 CEEDHN CC(C)(C#N)CCCN1CCO[C@@]2(CCCOC2)C1 ZINC000375660189 267883591 /nfs/dbraw/zinc/88/35/91/267883591.db2.gz KSMIXXUQZJLTOF-HNNXBMFYSA-N 0 3 266.385 2.198 20 30 CEEDHN C=C(C)CN(C)C[C@@H](O)COc1ccc(F)cc1 ZINC000305823872 268005506 /nfs/dbraw/zinc/00/55/06/268005506.db2.gz RVYKORNAWAZPDF-CYBMUJFWSA-N 0 3 253.317 2.073 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@H]([C@H](C)O)C2)cc1 ZINC000305856761 268009432 /nfs/dbraw/zinc/00/94/32/268009432.db2.gz KWOKDZRTEOVKOR-ZFWWWQNUSA-N 0 3 261.365 2.454 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)NCC(C)(C)CCC#N)[C@H]2C1 ZINC000377029777 268042203 /nfs/dbraw/zinc/04/22/03/268042203.db2.gz KABBMZNWZVNJEK-KGLIPLIRSA-N 0 3 292.427 2.052 20 30 CEEDHN CC(C)(CCC#N)CNC(=O)N1CCCN(C2CC2)CC1 ZINC000377032142 268042403 /nfs/dbraw/zinc/04/24/03/268042403.db2.gz KWCWCROAUYHXOQ-UHFFFAOYSA-N 0 3 292.427 2.196 20 30 CEEDHN Cc1ccnc(N2CCN(C)[C@@H](C(C)C)C2)c1C#N ZINC000487085282 268063726 /nfs/dbraw/zinc/06/37/26/268063726.db2.gz OWTLBOWXHCFJJJ-CQSZACIVSA-N 0 3 258.369 2.038 20 30 CEEDHN N#Cc1ccc(CNCCCN2CCCCC2=O)cc1F ZINC000421322656 268232344 /nfs/dbraw/zinc/23/23/44/268232344.db2.gz GULNWMJXXMPPFB-UHFFFAOYSA-N 0 3 289.354 2.190 20 30 CEEDHN N#Cc1ccc([C@H](NC[C@@H]2CCC(F)(F)C2)C(N)=O)cc1 ZINC000429791300 268263286 /nfs/dbraw/zinc/26/32/86/268263286.db2.gz PFBSOAYTEMOHJS-YPMHNXCESA-N 0 3 293.317 2.110 20 30 CEEDHN N#Cc1nccnc1NC[C@@H]1CCN1C1CCCCC1 ZINC000528113802 268326032 /nfs/dbraw/zinc/32/60/32/268326032.db2.gz KHPQCHHHXKJPLF-ZDUSSCGKSA-N 0 3 271.368 2.167 20 30 CEEDHN CC(C)CN1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000094593162 273513360 /nfs/dbraw/zinc/51/33/60/273513360.db2.gz OBRUOJJGOVTNCF-UHFFFAOYSA-N 0 3 288.351 2.244 20 30 CEEDHN CC[C@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)N(C)C ZINC000416340526 273741241 /nfs/dbraw/zinc/74/12/41/273741241.db2.gz KFYYCHAXUVLXKN-JKSUJKDBSA-N 0 3 285.391 2.392 20 30 CEEDHN C[C@@H]1CN(C2CCOCC2)CCN1CC#Cc1ccccc1 ZINC000278666959 274345162 /nfs/dbraw/zinc/34/51/62/274345162.db2.gz NUMCQXNJPGHLPV-QGZVFWFLSA-N 0 3 298.430 2.223 20 30 CEEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H](O)COCC ZINC000265032542 276001666 /nfs/dbraw/zinc/00/16/66/276001666.db2.gz VGFQCPYRXTWCHN-MRXNPFEDSA-N 0 3 276.380 2.168 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000336297702 277820042 /nfs/dbraw/zinc/82/00/42/277820042.db2.gz CRYOFOFBSIIQSC-STQMWFEESA-N 0 3 250.386 2.284 20 30 CEEDHN C[C@H](NCC[C@H](C)[S@](C)=O)c1ccc(C#N)cc1 ZINC000164650361 278259652 /nfs/dbraw/zinc/25/96/52/278259652.db2.gz PAQCBJNXMAGFCN-OAVHHTNSSA-N 0 3 264.394 2.366 20 30 CEEDHN CC1(C)CC[C@H]([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)C1 ZINC000330197148 278278931 /nfs/dbraw/zinc/27/89/31/278278931.db2.gz RJZWYZININRCBN-NEPJUHHUSA-N 0 3 276.384 2.280 20 30 CEEDHN CC1(C)CN(CCN[C@H]2CCc3ccc(C#N)cc32)CCO1 ZINC000353379885 278333238 /nfs/dbraw/zinc/33/32/38/278333238.db2.gz ABQGGENUUDXRDS-KRWDZBQOSA-N 0 3 299.418 2.246 20 30 CEEDHN CC(C)(CCC#N)CN[C@H](C(N)=O)c1ccccc1 ZINC000352262770 278599603 /nfs/dbraw/zinc/59/96/03/278599603.db2.gz KPNLSYHMAFCCPD-ZDUSSCGKSA-N 0 3 259.353 2.133 20 30 CEEDHN C[C@H](CCN[C@H]1CCc2ccc(C#N)cc21)[S@@](C)=O ZINC000353260715 279268119 /nfs/dbraw/zinc/26/81/19/279268119.db2.gz GACVPRZFUOHFPD-VZMUKZCBSA-N 0 3 276.405 2.292 20 30 CEEDHN C[C@H](CCO)C1(CNCc2ccc(C#N)o2)CCC1 ZINC000345162717 279268626 /nfs/dbraw/zinc/26/86/26/279268626.db2.gz JUQHUZRCFHYQMK-GFCCVEGCSA-N 0 3 262.353 2.430 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CC[C@@H](C2CCCC2)C1)C1CC1 ZINC000333762895 280139241 /nfs/dbraw/zinc/13/92/41/280139241.db2.gz CYMDHWKRBUKSGJ-RHSMWYFYSA-N 0 3 289.423 2.307 20 30 CEEDHN CC[C@@H](c1ccncc1)N(C)CCC(=O)N(C)CCC#N ZINC000092808101 280219977 /nfs/dbraw/zinc/21/99/77/280219977.db2.gz IBKXUFQVWOSNOR-HNNXBMFYSA-N 0 3 288.395 2.227 20 30 CEEDHN CC[C@]1(C)CCCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000075998459 281312562 /nfs/dbraw/zinc/31/25/62/281312562.db2.gz GHTLFLHWYAHHLB-DZGCQCFKSA-N 0 3 265.401 2.259 20 30 CEEDHN CC(C)(O)[C@H]1CCCN1Cc1cc(C#N)cs1 ZINC000154451567 289145906 /nfs/dbraw/zinc/14/59/06/289145906.db2.gz GBOJZLHIRQGOQL-GFCCVEGCSA-N 0 3 250.367 2.355 20 30 CEEDHN COCC(C)(C)NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000154870867 289156951 /nfs/dbraw/zinc/15/69/51/289156951.db2.gz RPSYBULBDHPCRG-UHFFFAOYSA-N 0 3 295.770 2.165 20 30 CEEDHN C[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCC1 ZINC000360106016 290034898 /nfs/dbraw/zinc/03/48/98/290034898.db2.gz ZKSPMLBRZLFXPP-NHYWBVRUSA-N 0 3 271.364 2.253 20 30 CEEDHN CNC(=O)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118391844 290358516 /nfs/dbraw/zinc/35/85/16/290358516.db2.gz YGSWZIWWTLLUEP-GFCCVEGCSA-N 0 3 271.364 2.077 20 30 CEEDHN Cc1nc(N2CCN(C3CC3)C[C@@H](C)C2)ccc1C#N ZINC000294979975 293297408 /nfs/dbraw/zinc/29/74/08/293297408.db2.gz PGAZUPKMPGODOH-GFCCVEGCSA-N 0 3 270.380 2.182 20 30 CEEDHN N#Cc1ccc2nc(NCCN3CCCC3)ccc2c1 ZINC000538097744 298224562 /nfs/dbraw/zinc/22/45/62/298224562.db2.gz QJDAPCIURUBWHR-UHFFFAOYSA-N 0 3 266.348 2.036 20 30 CEEDHN C[C@H](NCCN1CCO[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000540976335 298274351 /nfs/dbraw/zinc/27/43/51/298274351.db2.gz ZCMLALLEGFSMSB-STQMWFEESA-N 0 3 291.370 2.069 20 30 CEEDHN CN(C)[C@H](CNc1ccncc1C#N)c1cccs1 ZINC000547361270 298364917 /nfs/dbraw/zinc/36/49/17/298364917.db2.gz KCHHULYAFBOUAB-CYBMUJFWSA-N 0 3 272.377 2.151 20 30 CEEDHN C[C@@H](CNC(=O)c1ccc(C#N)c(Cl)c1)N1CCCC1 ZINC000548645968 298420494 /nfs/dbraw/zinc/42/04/94/298420494.db2.gz MQYBSQPYBPDNIO-NSHDSACASA-N 0 3 291.782 2.426 20 30 CEEDHN N#Cc1ncn(CCN[C@@H](CC2CC2)c2ccccc2)n1 ZINC000552335148 298477299 /nfs/dbraw/zinc/47/72/99/298477299.db2.gz KHIXWFZLCTYWAV-HNNXBMFYSA-N 0 3 281.363 2.281 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000280859457 302867959 /nfs/dbraw/zinc/86/79/59/302867959.db2.gz ZCDJGIPQTABMLF-ZDUSSCGKSA-N 0 3 287.363 2.160 20 30 CEEDHN Cc1c(C(=O)NCC2=CCN(C)CC2)cnn1C(C)C ZINC000329216908 533697163 /nfs/dbraw/zinc/69/71/63/533697163.db2.gz PGVGMHUZAHVFLC-UHFFFAOYSA-N 0 3 276.384 2.339 20 30 CEEDHN CC[C@@H](NCC(=O)Nc1cccc(C#N)c1)[C@H]1CCCO1 ZINC000182350947 312817143 /nfs/dbraw/zinc/81/71/43/312817143.db2.gz MNFDLQSENMBGED-HUUCEWRRSA-N 0 3 287.363 2.044 20 30 CEEDHN COC[C@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)C(C)C ZINC000544414581 313469127 /nfs/dbraw/zinc/46/91/27/313469127.db2.gz BEMHUVXQUSNCFH-WFASDCNBSA-N 0 3 289.379 2.146 20 30 CEEDHN C[C@@H]1CCN(CCNC(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000574148552 314190358 /nfs/dbraw/zinc/19/03/58/314190358.db2.gz MMHVUHNLXPJCPM-LLVKDONJSA-N 0 3 291.782 2.283 20 30 CEEDHN Cc1nnc(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c(C#N)c1C ZINC000577009621 314332943 /nfs/dbraw/zinc/33/29/43/314332943.db2.gz QIPMIENRHPFGKR-MQIPJXDCSA-N 0 3 299.422 2.132 20 30 CEEDHN Cc1nnc(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c(C#N)c1C ZINC000577009610 314333008 /nfs/dbraw/zinc/33/30/08/314333008.db2.gz QIPMIENRHPFGKR-BFQNTYOBSA-N 0 3 299.422 2.132 20 30 CEEDHN Cc1cc(C)cc(OC[C@H](O)CNCC2(CC#N)CC2)c1 ZINC000521427414 327919265 /nfs/dbraw/zinc/91/92/65/327919265.db2.gz APVNEISLUMTKPT-OAHLLOKOSA-N 0 3 288.391 2.327 20 30 CEEDHN C=CCOCCN1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000338946578 327993074 /nfs/dbraw/zinc/99/30/74/327993074.db2.gz ZEVQNPULWCHHAT-CQSZACIVSA-N 0 3 282.428 2.062 20 30 CEEDHN CNC(=O)NC1CCN(CCCCC(C)(C)C#N)CC1 ZINC000412057017 328101868 /nfs/dbraw/zinc/10/18/68/328101868.db2.gz WDPWKOVPJHBSLU-UHFFFAOYSA-N 0 3 280.416 2.100 20 30 CEEDHN CCC[C@H](O)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000571393117 328118123 /nfs/dbraw/zinc/11/81/23/328118123.db2.gz ASYPLIOJQGEHBY-AWEZNQCLSA-N 0 3 273.380 2.100 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000173197286 329143321 /nfs/dbraw/zinc/14/33/21/329143321.db2.gz ZQKZAXIFJQELKN-KBPBESRZSA-N 0 3 279.428 2.467 20 30 CEEDHN CC[C@H](NCC(=O)N(CCC#N)CCC#N)c1ccccc1 ZINC000271619374 328196927 /nfs/dbraw/zinc/19/69/27/328196927.db2.gz CXPHFHQTDCTHKF-INIZCTEOSA-N 0 3 298.390 2.383 20 30 CEEDHN C[C@H](C#N)Oc1ccccc1NC(=O)/C=C/CN(C)C ZINC000273001425 328202704 /nfs/dbraw/zinc/20/27/04/328202704.db2.gz ONOZXZQGJHZTLD-UVMWJGKXSA-N 0 3 273.336 2.034 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)C2CC2)CC1 ZINC000175316170 329164613 /nfs/dbraw/zinc/16/46/13/329164613.db2.gz FKMJMAHCDZBFIG-GFCCVEGCSA-N 0 3 250.386 2.189 20 30 CEEDHN N#CCCOCCN1CC[C@@H](COc2ccccc2)C1 ZINC000294688125 328282502 /nfs/dbraw/zinc/28/25/02/328282502.db2.gz SZTACQIOVOWGBN-OAHLLOKOSA-N 0 3 274.364 2.318 20 30 CEEDHN COC(=O)COC[C@@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000295895027 328287699 /nfs/dbraw/zinc/28/76/99/328287699.db2.gz YULROXRDVBJJJB-UKRRQHHQSA-N 0 3 290.363 2.199 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCCC23CCOCC3)nc1 ZINC000580725962 322339775 /nfs/dbraw/zinc/33/97/75/322339775.db2.gz WEYKVVQDENPMLW-OAHLLOKOSA-N 0 3 271.364 2.392 20 30 CEEDHN CCc1ccc([C@@H](CNc2ncncc2C#N)N(C)C)cc1 ZINC000581157727 322374156 /nfs/dbraw/zinc/37/41/56/322374156.db2.gz MUZGTSPTCCVVQW-MRXNPFEDSA-N 0 3 295.390 2.047 20 30 CEEDHN CN(CCC(=O)N1CCC(C)(C#N)CC1)c1ccncc1 ZINC000541892333 328369097 /nfs/dbraw/zinc/36/90/97/328369097.db2.gz BOTZQKPYLWPUGL-UHFFFAOYSA-N 0 3 286.379 2.060 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cnc([C@@H]2CCCO2)s1 ZINC000341267578 328405727 /nfs/dbraw/zinc/40/57/27/328405727.db2.gz JJVBCSDKERZRSC-YPMHNXCESA-N 0 3 282.409 2.269 20 30 CEEDHN C=CC[C@H](CO)CNCc1cnc(C)n1-c1ccccc1 ZINC000341322814 328406378 /nfs/dbraw/zinc/40/63/78/328406378.db2.gz OOHISIPOWDZZFP-HNNXBMFYSA-N 0 3 285.391 2.455 20 30 CEEDHN C=CC[C@H](CO)NCc1nc2ccc(F)cc2s1 ZINC000341434280 328410138 /nfs/dbraw/zinc/41/01/38/328410138.db2.gz PPHBQEOFUFNICR-SNVBAGLBSA-N 0 3 266.341 2.462 20 30 CEEDHN C=CCNC(=O)CN[C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000281817830 328503501 /nfs/dbraw/zinc/50/35/01/328503501.db2.gz ZKMOWGSSTRXEAQ-GJZGRUSLSA-N 0 3 287.407 2.308 20 30 CEEDHN C#Cc1ccccc1CC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000290753833 328531441 /nfs/dbraw/zinc/53/14/41/328531441.db2.gz JTFNEYWVSFDYIN-SFHVURJKSA-N 0 3 296.414 2.297 20 30 CEEDHN CC[C@@H](CC(F)(F)F)N[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345115251 328563506 /nfs/dbraw/zinc/56/35/06/328563506.db2.gz SYESFWYVUPGZJL-UWVGGRQHSA-N 0 3 291.317 2.258 20 30 CEEDHN COCC[C@@]1(NCc2ccc(CC#N)cc2)CCOC1 ZINC000579341015 327361491 /nfs/dbraw/zinc/36/14/91/327361491.db2.gz AARHYRGCFNRKFG-MRXNPFEDSA-N 0 3 274.364 2.038 20 30 CEEDHN CN(C)C1(CNC(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000562778156 327514833 /nfs/dbraw/zinc/51/48/33/327514833.db2.gz NKCSHLYTQYGYCE-UHFFFAOYSA-N 0 3 277.755 2.036 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NCc2cnc3n2CCCC3)C1 ZINC000375266986 329002246 /nfs/dbraw/zinc/00/22/46/329002246.db2.gz HRONQADYTOPJMK-OLZOCXBDSA-N 0 3 258.369 2.391 20 30 CEEDHN C=CCCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375391523 329003319 /nfs/dbraw/zinc/00/33/19/329003319.db2.gz LKRDCNZGKUVBRA-NSHDSACASA-N 0 3 250.302 2.004 20 30 CEEDHN N#CCCCN1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000377600574 329019774 /nfs/dbraw/zinc/01/97/74/329019774.db2.gz HZFMTFNYFRWDJF-INIZCTEOSA-N 0 3 276.355 2.356 20 30 CEEDHN C#CCN[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000377674657 329024029 /nfs/dbraw/zinc/02/40/29/329024029.db2.gz NXUAHHINIIJPTB-KBPBESRZSA-N 0 3 266.747 2.447 20 30 CEEDHN C=CCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000377690763 329025050 /nfs/dbraw/zinc/02/50/50/329025050.db2.gz ABEBEAPZLAIHEQ-GJZGRUSLSA-N 0 3 273.380 2.089 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@](C)(c2ccccc2)C1 ZINC000378126461 329040742 /nfs/dbraw/zinc/04/07/42/329040742.db2.gz MJPHYZOCJIQCPR-MAUKXSAKSA-N 0 3 299.418 2.411 20 30 CEEDHN C=C(C)CN1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000378384488 329048430 /nfs/dbraw/zinc/04/84/30/329048430.db2.gz VEQLCXFYCAIBDJ-CQSZACIVSA-N 0 3 262.397 2.287 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000458985983 329062451 /nfs/dbraw/zinc/06/24/51/329062451.db2.gz JRMQLNZFUPQGAJ-STQMWFEESA-N 0 3 267.417 2.323 20 30 CEEDHN N#CCc1cccc(C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000171440305 329075951 /nfs/dbraw/zinc/07/59/51/329075951.db2.gz OGMFKDBRSQXWLP-INIZCTEOSA-N 0 3 283.375 2.063 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000171730955 329079621 /nfs/dbraw/zinc/07/96/21/329079621.db2.gz GRIHZCPLUUVEDC-RRFJBIMHSA-N 0 3 291.439 2.372 20 30 CEEDHN C[C@H](N(C)CC(=O)NC1(C#N)CCCCC1)C1(C)CC1 ZINC000177246474 329182184 /nfs/dbraw/zinc/18/21/84/329182184.db2.gz OLJMBNMGVDZYSC-ZDUSSCGKSA-N 0 3 277.412 2.449 20 30 CEEDHN C=C(C)CN(C)C[C@H](O)COCc1ccccc1F ZINC000181287606 329229621 /nfs/dbraw/zinc/22/96/21/329229621.db2.gz LHVDATWWUGJEFU-AWEZNQCLSA-N 0 3 267.344 2.211 20 30 CEEDHN C=C(C)COCCNCc1cnn(CC(C)C)c1 ZINC000181802221 329237474 /nfs/dbraw/zinc/23/74/74/329237474.db2.gz LLWLXAIQXJTBQF-UHFFFAOYSA-N 0 3 251.374 2.221 20 30 CEEDHN CC#CCCCC(=O)N1CCN(C2CCCC2)CC1 ZINC000184948533 329265996 /nfs/dbraw/zinc/26/59/96/329265996.db2.gz VUBCSRYCBKJBJT-UHFFFAOYSA-N 0 3 262.397 2.267 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C)[C@@H]2CC)CC1 ZINC000188042126 329363647 /nfs/dbraw/zinc/36/36/47/329363647.db2.gz QAMCSSIYNSJVSE-ZFWWWQNUSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCCN(C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418556875 329533660 /nfs/dbraw/zinc/53/36/60/329533660.db2.gz QVUJDWVGGGXHEM-UHFFFAOYSA-N 0 3 259.353 2.007 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418627315 329537580 /nfs/dbraw/zinc/53/75/80/329537580.db2.gz ASMHHCLAAUNVHF-MRXNPFEDSA-N 0 3 285.391 2.257 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418634391 329537912 /nfs/dbraw/zinc/53/79/12/329537912.db2.gz JJLPQBPBTLSBSH-OAHLLOKOSA-N 0 3 273.380 2.091 20 30 CEEDHN CC(C)(C#N)CCCN1CCC(N2CCCNC2=O)CC1 ZINC000135404197 329666257 /nfs/dbraw/zinc/66/62/57/329666257.db2.gz ZOEHHBMPIIEKMQ-UHFFFAOYSA-N 0 3 292.427 2.196 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000572367063 330010825 /nfs/dbraw/zinc/01/08/25/330010825.db2.gz JDNRDVOFJJVHQU-GOEBONIOSA-N 0 3 275.396 2.356 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000421716199 330069707 /nfs/dbraw/zinc/06/97/07/330069707.db2.gz ZZXBYLQRPMJTTK-INIZCTEOSA-N 0 3 297.402 2.408 20 30 CEEDHN C#CCCOc1ccc(CN2CCC[C@H](O)C2)cc1 ZINC000271030611 330077655 /nfs/dbraw/zinc/07/76/55/330077655.db2.gz YRVAEMITMMCZKM-HNNXBMFYSA-N 0 3 259.349 2.045 20 30 CEEDHN C=C(C)CNC(=O)Nc1ccccc1CCN(C)C ZINC000275569970 330110487 /nfs/dbraw/zinc/11/04/87/330110487.db2.gz CEKHQBRMEGWZLC-UHFFFAOYSA-N 0 3 261.369 2.488 20 30 CEEDHN C=CCc1cc(CN[C@@H]2C[C@@H]2OCC)cc(OC)c1O ZINC000580419459 330128538 /nfs/dbraw/zinc/12/85/38/330128538.db2.gz GASVXAZFXYMQAQ-KGLIPLIRSA-N 0 3 277.364 2.396 20 30 CEEDHN CC(C)(C)CC(C)(C)NC(=O)[C@H](N)CCCC#N ZINC000424075781 330220744 /nfs/dbraw/zinc/22/07/44/330220744.db2.gz KMCZGJDVQWLFKF-LLVKDONJSA-N 0 3 253.390 2.339 20 30 CEEDHN CCN(C(=O)[C@@H](N)CCCC#N)c1cccc(C)c1 ZINC000424076936 330221023 /nfs/dbraw/zinc/22/10/23/330221023.db2.gz AEYLDICERUHNFK-AWEZNQCLSA-N 0 3 259.353 2.369 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCCc1ccccc1Cl ZINC000424080052 330221844 /nfs/dbraw/zinc/22/18/44/330221844.db2.gz HKPJFWUONFXNHQ-ZDUSSCGKSA-N 0 3 279.771 2.020 20 30 CEEDHN COc1c(C)ccc(NC(=O)[C@@H](N)CCCC#N)c1C ZINC000424088673 330224448 /nfs/dbraw/zinc/22/44/48/330224448.db2.gz JRFPVASJRGNCGR-LBPRGKRZSA-N 0 3 275.352 2.272 20 30 CEEDHN C[C@H](c1cccs1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424092070 330225434 /nfs/dbraw/zinc/22/54/34/330225434.db2.gz PHWRKECXJNZVQP-MNOVXSKESA-N 0 3 265.382 2.289 20 30 CEEDHN CC(C)(CNC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424092099 330225469 /nfs/dbraw/zinc/22/54/69/330225469.db2.gz PMECHUHUQOKNTK-AWEZNQCLSA-N 0 3 273.380 2.102 20 30 CEEDHN Cc1ccccc1C[C@@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424092752 330225912 /nfs/dbraw/zinc/22/59/12/330225912.db2.gz PQVSXLJCRLVPJK-UKRRQHHQSA-N 0 3 273.380 2.063 20 30 CEEDHN CC[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccs1 ZINC000424101465 330233443 /nfs/dbraw/zinc/23/34/43/330233443.db2.gz MYPNPFRFBOBDED-QWRGUYRKSA-N 0 3 265.382 2.337 20 30 CEEDHN Cc1cccc2[nH]cc(CCNC(=O)[C@@H](N)CCCC#N)c21 ZINC000424112580 330240786 /nfs/dbraw/zinc/24/07/86/330240786.db2.gz KFIZMMMVSQFNKJ-AWEZNQCLSA-N 0 3 298.390 2.156 20 30 CEEDHN CN(C)c1c(Cl)cccc1NC(=O)[C@@H](N)CCCC#N ZINC000424125937 330259046 /nfs/dbraw/zinc/25/90/46/330259046.db2.gz AXMKCJCAJAGTKU-NSHDSACASA-N 0 3 294.786 2.366 20 30 CEEDHN CC1(C)CCCC[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424130083 330260524 /nfs/dbraw/zinc/26/05/24/330260524.db2.gz SSIVWWDGMGIPEH-NWDGAFQWSA-N 0 3 251.374 2.093 20 30 CEEDHN Cc1cc(C)cc(C[C@H](C)NC(=O)[C@H](N)CCCC#N)c1 ZINC000424131140 330262249 /nfs/dbraw/zinc/26/22/49/330262249.db2.gz VWOAKWSUNSGLGW-GOEBONIOSA-N 0 3 287.407 2.372 20 30 CEEDHN CC(C)C1CCC(NC(=O)[C@H](N)CCCC#N)CC1 ZINC000424133053 330265435 /nfs/dbraw/zinc/26/54/35/330265435.db2.gz YPLCMBKBSWKLIZ-JXQTWKCFSA-N 0 3 265.401 2.339 20 30 CEEDHN C[C@]1(c2ccccc2)CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424133126 330265513 /nfs/dbraw/zinc/26/55/13/330265513.db2.gz YTLIFUIUVCIAOE-WBVHZDCISA-N 0 3 285.391 2.198 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000424142753 330285546 /nfs/dbraw/zinc/28/55/46/330285546.db2.gz DZEYTRIJVIGUPR-RYUDHWBXSA-N 0 3 292.408 2.218 20 30 CEEDHN CCS[C@@H]1CCCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424146753 330293345 /nfs/dbraw/zinc/29/33/45/330293345.db2.gz XEJHEPCAULFWQS-OLZOCXBDSA-N 0 3 283.441 2.142 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1ncc(Cl)s1 ZINC000424165975 330309255 /nfs/dbraw/zinc/30/92/55/330309255.db2.gz BMQNXEMBXQCUIU-IUCAKERBSA-N 0 3 258.774 2.477 20 30 CEEDHN CCC[C@H]1CCCCN1C(=O)[C@@H](N)CCCC#N ZINC000424181958 330319760 /nfs/dbraw/zinc/31/97/60/330319760.db2.gz SHNWGRGVJWMZIK-STQMWFEESA-N 0 3 251.374 2.189 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NC1CCN(C2CC2)CC1 ZINC000424564282 330378062 /nfs/dbraw/zinc/37/80/62/330378062.db2.gz NXAVCCLEXNWASO-UHFFFAOYSA-N 0 3 250.386 2.332 20 30 CEEDHN N#CCC1CCN(CCO[C@H]2CCCCO2)CC1 ZINC000516238819 330490562 /nfs/dbraw/zinc/49/05/62/330490562.db2.gz ZAZYVSSYHOELLI-AWEZNQCLSA-N 0 3 252.358 2.155 20 30 CEEDHN CC[C@H](C#N)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000433345544 330626952 /nfs/dbraw/zinc/62/69/52/330626952.db2.gz YBYUTBFIQMLNNW-KGLIPLIRSA-N 0 3 259.353 2.098 20 30 CEEDHN C=CCC[C@@H](CO)NCc1scnc1C1CC1 ZINC000449702603 330945172 /nfs/dbraw/zinc/94/51/72/330945172.db2.gz ZGBPJYMQONUMGX-NSHDSACASA-N 0 3 252.383 2.437 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000451598308 331035790 /nfs/dbraw/zinc/03/57/90/331035790.db2.gz KBHKLLXUZVZTDJ-BMFZPTHFSA-N 0 3 292.423 2.315 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NCCCC1CCCCC1 ZINC000451604906 331036304 /nfs/dbraw/zinc/03/63/04/331036304.db2.gz IXLPKKNGOHWWSB-CVEARBPZSA-N 0 3 294.439 2.396 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451868344 331045537 /nfs/dbraw/zinc/04/55/37/331045537.db2.gz DNBSVNKYERHKBG-CHWSQXEVSA-N 0 3 294.361 2.130 20 30 CEEDHN C=CCOCCCN1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451886618 331046267 /nfs/dbraw/zinc/04/62/67/331046267.db2.gz YVJWOEVSJKDZFX-CYBMUJFWSA-N 0 3 294.361 2.395 20 30 CEEDHN C=CCOCCN1CCC(OCCOC(C)C)CC1 ZINC000451954005 331048127 /nfs/dbraw/zinc/04/81/27/331048127.db2.gz WKFOFXXMRYESCT-UHFFFAOYSA-N 0 3 271.401 2.095 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](CC(C)(C)C)C1 ZINC000452081175 331053297 /nfs/dbraw/zinc/05/32/97/331053297.db2.gz PWOXVYHBPNWXRW-QWHCGFSZSA-N 0 3 295.427 2.145 20 30 CEEDHN C[C@H]1C[C@@]1(C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000452125795 331055212 /nfs/dbraw/zinc/05/52/12/331055212.db2.gz PTDAOAQKPJIQCF-MMNPAVHPSA-N 0 3 297.402 2.315 20 30 CEEDHN C=CC(C)(C)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000452188647 331057546 /nfs/dbraw/zinc/05/75/46/331057546.db2.gz CSEYMNPKKBASBW-OAHLLOKOSA-N 0 3 288.391 2.404 20 30 CEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)[C@@]1(C#N)C[C@@H]1C ZINC000452345348 331062924 /nfs/dbraw/zinc/06/29/24/331062924.db2.gz QPRDCTJWZJDVGJ-OFQRWUPVSA-N 0 3 277.412 2.163 20 30 CEEDHN CN1CC[C@@H]2CN(C(=O)C[C@H](CC#N)c3ccccc3)C[C@@H]21 ZINC000453021965 331083838 /nfs/dbraw/zinc/08/38/38/331083838.db2.gz ZYWKLLFNTYLRGH-BBWFWOEESA-N 0 3 297.402 2.236 20 30 CEEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(OC)c(O)c1 ZINC000453349905 331120487 /nfs/dbraw/zinc/12/04/87/331120487.db2.gz JNSUYJXWDPTLSI-WCQYABFASA-N 0 3 265.353 2.379 20 30 CEEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(C(=O)OC)co1 ZINC000453360617 331122132 /nfs/dbraw/zinc/12/21/32/331122132.db2.gz PIDIIOPGGHEUQY-CMPLNLGQSA-N 0 3 267.325 2.044 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000453372810 331124283 /nfs/dbraw/zinc/12/42/83/331124283.db2.gz VTUBDMPDTBVJGY-WQVCFCJDSA-N 0 3 288.391 2.383 20 30 CEEDHN C=CCC[C@H](CO)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000454339662 331144527 /nfs/dbraw/zinc/14/45/27/331144527.db2.gz MJXACSJOEUPVHK-OAHLLOKOSA-N 0 3 291.395 2.197 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2CF)CC1 ZINC000454461468 331146677 /nfs/dbraw/zinc/14/66/77/331146677.db2.gz JLMOVFBADDNGGG-AWEZNQCLSA-N 0 3 283.391 2.170 20 30 CEEDHN C=C(C)CCNC(=O)NC[C@@H]1CCCCN1CC ZINC000454496819 331147439 /nfs/dbraw/zinc/14/74/39/331147439.db2.gz ZLBYBLFHGVBZBH-ZDUSSCGKSA-N 0 3 253.390 2.126 20 30 CEEDHN C=C(C)CCNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000454614892 331149772 /nfs/dbraw/zinc/14/97/72/331149772.db2.gz VGDBPWXSARFLEW-CYBMUJFWSA-N 0 3 255.406 2.228 20 30 CEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)NCCCC#N ZINC000454800064 331153858 /nfs/dbraw/zinc/15/38/58/331153858.db2.gz ZLZCJGYPVAWJMC-AWEZNQCLSA-N 0 3 280.416 2.100 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)NC[C@H](C)N(C)C ZINC000455445641 331170110 /nfs/dbraw/zinc/17/01/10/331170110.db2.gz UQCONFYJYUHHBR-LBPRGKRZSA-N 0 3 281.425 2.396 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000456263400 331187976 /nfs/dbraw/zinc/18/79/76/331187976.db2.gz MEHKXVBUXBCPIY-CVEARBPZSA-N 0 3 288.391 2.212 20 30 CEEDHN CCC1(CNC(=O)C(C#N)CCc2ccccc2)COC1 ZINC000456491027 331194180 /nfs/dbraw/zinc/19/41/80/331194180.db2.gz QQLQYYPOHWLZRG-HNNXBMFYSA-N 0 3 286.375 2.302 20 30 CEEDHN C=CCn1cccc1C(=O)NC(C)(C)CN1CCCC1 ZINC000457036783 331210640 /nfs/dbraw/zinc/21/06/40/331210640.db2.gz ARRWDQJOQRVKGB-UHFFFAOYSA-N 0 3 275.396 2.278 20 30 CEEDHN CC(C)(CC#N)CNC(=O)NCC(C)(C)N1CCCCC1 ZINC000457459993 331223593 /nfs/dbraw/zinc/22/35/93/331223593.db2.gz NMALZMAJQYNWHJ-UHFFFAOYSA-N 0 3 294.443 2.490 20 30 CEEDHN C[C@H](CNC(=O)NCC(C)(C)CC#N)N1CCC[C@@H](C)C1 ZINC000457681874 331231074 /nfs/dbraw/zinc/23/10/74/331231074.db2.gz CWUGUZSABOUCAH-ZIAGYGMSSA-N 0 3 294.443 2.346 20 30 CEEDHN CC#CCN(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000457754220 331233350 /nfs/dbraw/zinc/23/33/50/331233350.db2.gz PAQXJLBARKABNI-QGZVFWFLSA-N 0 3 299.418 2.488 20 30 CEEDHN C[C@@H](C(=O)NCC(C)(C)CC#N)N1[C@H](C)CC[C@@H]1C ZINC000457990475 331239331 /nfs/dbraw/zinc/23/93/31/331239331.db2.gz PKLQYAMKPZFPFG-XQQFMLRXSA-N 0 3 265.401 2.304 20 30 CEEDHN C[C@H](C(=O)NCC(C)(C)CC#N)N1CCCCCC1 ZINC000457995646 331240005 /nfs/dbraw/zinc/24/00/05/331240005.db2.gz QTVWPFYXGMXNEJ-CYBMUJFWSA-N 0 3 265.401 2.307 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@]2(C)C(C)C)CC1 ZINC000458332861 331249101 /nfs/dbraw/zinc/24/91/01/331249101.db2.gz KKJBRNSVGJXEAE-GOEBONIOSA-N 0 3 279.428 2.371 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)N(C)CC(C)(C)C#N ZINC000458382242 331250375 /nfs/dbraw/zinc/25/03/75/331250375.db2.gz QWBQWRIWEAQELK-ZDUSSCGKSA-N 0 3 280.416 2.052 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000458985979 331264075 /nfs/dbraw/zinc/26/40/75/331264075.db2.gz JRMQLNZFUPQGAJ-OLZOCXBDSA-N 0 3 267.417 2.323 20 30 CEEDHN C=C(C)CCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000459008158 331266132 /nfs/dbraw/zinc/26/61/32/331266132.db2.gz TULJVNCPCPMDIK-UHFFFAOYSA-N 0 3 267.417 2.374 20 30 CEEDHN C=C(CC)CNC(=O)N1CCCN(C(C)C)CC1 ZINC000459071521 331269162 /nfs/dbraw/zinc/26/91/62/331269162.db2.gz HDMXCJMYAJVWEL-UHFFFAOYSA-N 0 3 253.390 2.078 20 30 CEEDHN CCN1CCN(c2ccccc2CN2CC(C)(C#N)C2)CC1 ZINC000459599263 331290007 /nfs/dbraw/zinc/29/00/07/331290007.db2.gz XLBCKOSMJZPQMD-UHFFFAOYSA-N 0 3 298.434 2.174 20 30 CEEDHN C=C(CC)CN1CCN(C2CCOCC2)C[C@@H]1C ZINC000488707528 332022129 /nfs/dbraw/zinc/02/21/29/332022129.db2.gz DRNCXLJAUHRKAS-AWEZNQCLSA-N 0 3 252.402 2.138 20 30 CEEDHN C=CCCCS(=O)(=O)NCC1(N(C)C)CCCCC1 ZINC000489038546 332038998 /nfs/dbraw/zinc/03/89/98/332038998.db2.gz JWOOPAVIJLVKBI-UHFFFAOYSA-N 0 3 288.457 2.137 20 30 CEEDHN C#C[C@@H](CC)NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000490713675 332107484 /nfs/dbraw/zinc/10/74/84/332107484.db2.gz LLDJFPKSRJCCIR-IRXDYDNUSA-N 0 3 299.418 2.220 20 30 CEEDHN C#CCN(C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)C1CCCC1 ZINC000490818764 332117415 /nfs/dbraw/zinc/11/74/15/332117415.db2.gz AUIRFQAHVPAKFG-CZUORRHYSA-N 0 3 289.423 2.057 20 30 CEEDHN C#CCN(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000490865554 332121904 /nfs/dbraw/zinc/12/19/04/332121904.db2.gz DNNMWPQKFCFKEU-CYBMUJFWSA-N 0 3 264.369 2.093 20 30 CEEDHN C#CCN(CC)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000490872340 332123038 /nfs/dbraw/zinc/12/30/38/332123038.db2.gz FCDGLLUGHVGCJB-UHFFFAOYSA-N 0 3 285.347 2.412 20 30 CEEDHN C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000491193406 332163828 /nfs/dbraw/zinc/16/38/28/332163828.db2.gz YXQWOSXMGOEWFO-NVXWUHKLSA-N 0 3 299.418 2.314 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000491303583 332185590 /nfs/dbraw/zinc/18/55/90/332185590.db2.gz BOZLUOVOMWJPBR-YQQAZPJKSA-N 0 3 299.418 2.313 20 30 CEEDHN C#CCN1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000491440283 332211975 /nfs/dbraw/zinc/21/19/75/332211975.db2.gz ODJUEPILFIVARF-CYBMUJFWSA-N 0 3 266.385 2.389 20 30 CEEDHN C#C[C@H](CC)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000491474946 332218348 /nfs/dbraw/zinc/21/83/48/332218348.db2.gz REWYYRATNBSYMX-ZIAGYGMSSA-N 0 3 250.386 2.025 20 30 CEEDHN C#C[C@H](CC)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000491474944 332218450 /nfs/dbraw/zinc/21/84/50/332218450.db2.gz REWYYRATNBSYMX-KGLIPLIRSA-N 0 3 250.386 2.025 20 30 CEEDHN C#CCN(C)CCCNC(=S)Nc1ccc(F)cc1F ZINC000491494683 332222221 /nfs/dbraw/zinc/22/22/21/332222221.db2.gz DUNDTDDXSBZEKB-UHFFFAOYSA-N 0 3 297.374 2.206 20 30 CEEDHN C#C[C@@H](CC)NCc1ccc(OCc2noc(C)n2)cc1 ZINC000491538167 332233005 /nfs/dbraw/zinc/23/30/05/332233005.db2.gz XFORUJRELOMFGB-AWEZNQCLSA-N 0 3 285.347 2.458 20 30 CEEDHN C#C[C@@H](CC)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000491693698 332289948 /nfs/dbraw/zinc/28/99/48/332289948.db2.gz DFZPOURNKDOWNY-KRWDZBQOSA-N 0 3 299.418 2.146 20 30 CEEDHN C#CCN(C[C@@H](O)COc1ccccc1SC)C(C)C ZINC000491727134 332310365 /nfs/dbraw/zinc/31/03/65/332310365.db2.gz LBURRVCHXIUBSN-CQSZACIVSA-N 0 3 293.432 2.492 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000491748537 332325490 /nfs/dbraw/zinc/32/54/90/332325490.db2.gz ORDHNJZMCLFHCD-BBRMVZONSA-N 0 3 287.407 2.473 20 30 CEEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000491748895 332325790 /nfs/dbraw/zinc/32/57/90/332325790.db2.gz RWTOIMCIRITUQO-LLVKDONJSA-N 0 3 289.766 2.494 20 30 CEEDHN C#C[C@@H](NC(=O)N(C)CC1(N(C)C)CCC1)C(C)(C)C ZINC000491772267 332338667 /nfs/dbraw/zinc/33/86/67/332338667.db2.gz UEBYEBMDZOQFNM-CYBMUJFWSA-N 0 3 279.428 2.160 20 30 CEEDHN C#C[C@@H](CC)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000491785841 332348676 /nfs/dbraw/zinc/34/86/76/332348676.db2.gz RXNZYIHHEPZXGM-GJZGRUSLSA-N 0 3 273.380 2.000 20 30 CEEDHN C#CCN(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000491805644 332359078 /nfs/dbraw/zinc/35/90/78/332359078.db2.gz OYBBTCAIAWTPSY-LBPRGKRZSA-N 0 3 258.321 2.269 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)/C=C/C2CCC2)CC1 ZINC000492062523 332381175 /nfs/dbraw/zinc/38/11/75/332381175.db2.gz AESQXLSZFUDDBU-VOTSOKGWSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCNC(=O)N(CCC)CCN1CCCCC1 ZINC000505706598 332749805 /nfs/dbraw/zinc/74/98/05/332749805.db2.gz OTICIVUSNZRNEE-UHFFFAOYSA-N 0 3 253.390 2.080 20 30 CEEDHN CN(CCCC(C)(C)C#N)CC(=O)NC(C)(C)C ZINC000174811523 333007660 /nfs/dbraw/zinc/00/76/60/333007660.db2.gz CBDSUUXCXQQFRV-UHFFFAOYSA-N 0 3 253.390 2.163 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc(N(C)C)c2C)CC1 ZINC000182993320 333118284 /nfs/dbraw/zinc/11/82/84/333118284.db2.gz DKPMYDVQURDFJJ-UHFFFAOYSA-N 0 3 299.418 2.345 20 30 CEEDHN C[C@H](CN1CCCC1=O)NC1CC(C#N)(c2ccccc2)C1 ZINC000315624953 333382615 /nfs/dbraw/zinc/38/26/15/333382615.db2.gz JZBPDFJDQKETHA-MXWWQKGMSA-N 0 3 297.402 2.211 20 30 CEEDHN CC(C#N)C(=O)NC1CC(OCc2ccccc2)C1 ZINC000546654893 334043822 /nfs/dbraw/zinc/04/38/22/334043822.db2.gz WWOQGJYNOQPRRB-LMWSTFAQSA-N 0 3 258.321 2.010 20 30 CEEDHN C=C(C)COCCNCc1ccc(N2CCCC2)nc1 ZINC000134502297 334092383 /nfs/dbraw/zinc/09/23/83/334092383.db2.gz BKJQLFUETCHJDT-UHFFFAOYSA-N 0 3 275.396 2.364 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000079295147 334151211 /nfs/dbraw/zinc/15/12/11/334151211.db2.gz CETYPNFNUOCHOJ-AWEZNQCLSA-N 0 3 267.417 2.468 20 30 CEEDHN N#CCC(=O)N(CCN1CCCC1)c1ccccc1 ZINC000548453964 334157149 /nfs/dbraw/zinc/15/71/49/334157149.db2.gz YLRZLLLVROKNDE-UHFFFAOYSA-N 0 3 257.337 2.029 20 30 CEEDHN C=CCSCCNC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000245390935 334189740 /nfs/dbraw/zinc/18/97/40/334189740.db2.gz NWPGVADDGLWGBP-KBPBESRZSA-N 0 3 299.484 2.325 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](CC2CC2)C1 ZINC000550422660 334222292 /nfs/dbraw/zinc/22/22/92/334222292.db2.gz OEIXVNKXEDLTPZ-GXTWGEPZSA-N 0 3 275.396 2.059 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](C)C[C@@H](C)C1 ZINC000246607781 334265207 /nfs/dbraw/zinc/26/52/07/334265207.db2.gz HPDIEOGAAWQYAA-RRFJBIMHSA-N 0 3 279.428 2.363 20 30 CEEDHN N#CC1(c2ccccn2)CCN(CC[C@@H]2CCOC2)CC1 ZINC000554558727 334438284 /nfs/dbraw/zinc/43/82/84/334438284.db2.gz RFZZDDBPLUYUJO-OAHLLOKOSA-N 0 3 285.391 2.365 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(C)cc1F ZINC000564777074 334520373 /nfs/dbraw/zinc/52/03/73/334520373.db2.gz DIVDBIWSHBBZEO-CABCVRRESA-N 0 3 292.354 2.396 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC[C@H](O)COc2ccccc2Cl)C1 ZINC000568620890 334832931 /nfs/dbraw/zinc/83/29/31/334832931.db2.gz QMFHVQHHOTYKFC-XQQFMLRXSA-N 0 3 294.782 2.362 20 30 CEEDHN CN(C(=O)[C@H]1CCN(Cc2ccccc2)C1)C1(C#N)CCC1 ZINC000576954121 335269071 /nfs/dbraw/zinc/26/90/71/335269071.db2.gz GCJNLWYZEXDCSZ-INIZCTEOSA-N 0 3 297.402 2.413 20 30 CEEDHN N#CCC[C@H](C#N)CNCCC[C@@H]1CCCC[C@H]1O ZINC000577221774 335325504 /nfs/dbraw/zinc/32/55/04/335325504.db2.gz ZOOAFMHSMFZAGY-QLFBSQMISA-N 0 3 263.385 2.351 20 30 CEEDHN CN(C)[C@H](CNC[C@@H](C#N)CCC#N)Cc1ccccc1 ZINC000577484148 335357181 /nfs/dbraw/zinc/35/71/81/335357181.db2.gz GLOAQSZGJFWWPE-SJORKVTESA-N 0 3 284.407 2.192 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1nc(-c2ccccc2)co1 ZINC000581309208 336045034 /nfs/dbraw/zinc/04/50/34/336045034.db2.gz CBFUVDFTAOZSKW-GFCCVEGCSA-N 0 3 284.319 2.301 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccc(N2CCCC2)nc1 ZINC000449699929 500576028 /nfs/dbraw/zinc/57/60/28/500576028.db2.gz RSPYVTNGTGMVTK-OAHLLOKOSA-N 0 3 275.396 2.099 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc2c(c1)CC(C)(C)O2 ZINC000184264628 519105329 /nfs/dbraw/zinc/10/53/29/519105329.db2.gz FBZIUOYWCYAMMW-AWEZNQCLSA-N 0 3 261.365 2.427 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc2c(c1)CC(C)(C)O2 ZINC000184264645 519118519 /nfs/dbraw/zinc/11/85/19/519118519.db2.gz FBZIUOYWCYAMMW-CQSZACIVSA-N 0 3 261.365 2.427 20 30 CEEDHN CC(C)OC[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000337328914 519773034 /nfs/dbraw/zinc/77/30/34/519773034.db2.gz FIMOTTHHZSDMIM-ZDUSSCGKSA-N 0 3 262.353 2.340 20 30 CEEDHN COC(=O)[C@@]12CCC[C@H]1CN(Cc1ccc(C#N)cc1)C2 ZINC000363685639 523846593 /nfs/dbraw/zinc/84/65/93/523846593.db2.gz BUEZXFNDIMDRBU-DOTOQJQBSA-N 0 3 284.359 2.333 20 30 CEEDHN Cc1nc(-c2ccc(CNC(=O)C(C)C#N)o2)cs1 ZINC000347074330 534857946 /nfs/dbraw/zinc/85/79/46/534857946.db2.gz QWOKKCYJVGLBEJ-MRVPVSSYSA-N 0 3 275.333 2.487 20 30 CEEDHN CC(C#N)C(=O)NCc1ccccc1C(F)(F)F ZINC000061627104 526235563 /nfs/dbraw/zinc/23/55/63/526235563.db2.gz BOVJTJRVSWOFPP-QMMMGPOBSA-N 0 3 256.227 2.481 20 30 CEEDHN C=C(C)CN(CCC[C@H](C)O)Cc1ccc(CO)o1 ZINC000352799255 526551855 /nfs/dbraw/zinc/55/18/55/526551855.db2.gz LXUSWZCOUIBMJW-ZDUSSCGKSA-N 0 3 267.369 2.311 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccc3cc[nH]c3n2)CC1 ZINC000332626403 526601151 /nfs/dbraw/zinc/60/11/51/526601151.db2.gz ISNZXKIBNHRYSK-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCN(C3CCCC3)C2)o1 ZINC000363416270 526625285 /nfs/dbraw/zinc/62/52/85/526625285.db2.gz ZQLAYHGIWKEYMS-GFCCVEGCSA-N 0 3 259.353 2.258 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000347718512 526694642 /nfs/dbraw/zinc/69/46/42/526694642.db2.gz KVXGBINCYBLSTP-HUUCEWRRSA-N 0 3 294.439 2.300 20 30 CEEDHN C#CCCN1CCCN(Cc2ccccc2F)CC1 ZINC000366886941 526722923 /nfs/dbraw/zinc/72/29/23/526722923.db2.gz QLDCRAIHQZHNRG-UHFFFAOYSA-N 0 3 260.356 2.357 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ncc(CN(C)C)s1 ZINC000352866492 526849572 /nfs/dbraw/zinc/84/95/72/526849572.db2.gz LTHGIPSDWMZBEM-SWLSCSKDSA-N 0 3 295.452 2.276 20 30 CEEDHN C=CCOc1ccc(CN2C[C@H](O)[C@@H](CC)C2)cc1OC ZINC000355194562 526873991 /nfs/dbraw/zinc/87/39/91/526873991.db2.gz GUYKWVMZUDLCGF-GJZGRUSLSA-N 0 3 291.391 2.463 20 30 CEEDHN C=CC1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000336039575 526968228 /nfs/dbraw/zinc/96/82/28/526968228.db2.gz CXXFMHOXMYLXMA-IUODEOHRSA-N 0 3 277.412 2.077 20 30 CEEDHN C=CCCCCNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000353338967 527149027 /nfs/dbraw/zinc/14/90/27/527149027.db2.gz VMRRUORCHWKWOX-KBPBESRZSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NCCN1CCC(C)CC1 ZINC000347630884 527152898 /nfs/dbraw/zinc/15/28/98/527152898.db2.gz IOZJCOWCQDJSCX-AWEZNQCLSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000417980149 527288241 /nfs/dbraw/zinc/28/82/41/527288241.db2.gz JYKFWUNUBRNKDF-AVGNSLFASA-N 0 3 253.390 2.123 20 30 CEEDHN C=CCC[C@H](NC[C@@H](O)[C@H]1CCOC1)c1ccco1 ZINC000353632178 527483713 /nfs/dbraw/zinc/48/37/13/527483713.db2.gz NUYCSDGWDKDEAK-MELADBBJSA-N 0 3 265.353 2.274 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000347313776 527619546 /nfs/dbraw/zinc/61/95/46/527619546.db2.gz OIELKLDDIYUQFK-DOTOQJQBSA-N 0 3 294.439 2.348 20 30 CEEDHN CC[C@@H](NCc1cnc2ccc(C#N)cn12)[C@@H](O)C(C)C ZINC000414517949 529188581 /nfs/dbraw/zinc/18/85/81/529188581.db2.gz ALDTUNLSXQSURQ-ZBFHGGJFSA-N 0 3 286.379 2.091 20 30 CEEDHN CC[S@](=O)[C@@H]1CCC[C@H](NCc2cc(C#N)n(C)c2)C1 ZINC000191293709 535981259 /nfs/dbraw/zinc/98/12/59/535981259.db2.gz DAJJXFVTUHVLAB-AGKSTNPPSA-N 0 3 293.436 2.066 20 30 CEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CN(CC)C[C@H]2C)cc1 ZINC000674836593 538895599 /nfs/dbraw/zinc/89/55/99/538895599.db2.gz UOCYSESVSCYQAO-CZUORRHYSA-N 0 3 288.391 2.321 20 30 CEEDHN C#CCCN1CCC(NC(=O)[C@@H](C)C2CCCC2)CC1 ZINC000749396425 575218141 /nfs/dbraw/zinc/21/81/41/575218141.db2.gz IEMBGNILRPUEPP-AWEZNQCLSA-N 0 3 276.424 2.417 20 30 CEEDHN C[C@H](CNC(=O)Cc1cccc(C#N)c1)N1CCCCC1 ZINC000749351351 574443716 /nfs/dbraw/zinc/44/37/16/574443716.db2.gz JTTSCGSWZQZWBO-CQSZACIVSA-N 0 3 285.391 2.091 20 30 CEEDHN C[C@@H](CO)NN=C1CCCC[C@H]1N1CCCCCC1 ZINC000749816699 574447559 /nfs/dbraw/zinc/44/75/59/574447559.db2.gz SOWUWSJHBYXCQN-DZGCQCFKSA-N 0 3 267.417 2.131 20 30 CEEDHN C=C(C)CN1CCC(NC(=S)NCC(C)C)CC1 ZINC000729941716 574496838 /nfs/dbraw/zinc/49/68/38/574496838.db2.gz AVGCONITQIWHRO-UHFFFAOYSA-N 0 3 269.458 2.147 20 30 CEEDHN C#Cc1ccc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)nc1 ZINC000730787809 574576675 /nfs/dbraw/zinc/57/66/75/574576675.db2.gz WHIUGBRUZKECQM-OKILXGFUSA-N 0 3 285.391 2.056 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000732596063 574624285 /nfs/dbraw/zinc/62/42/85/574624285.db2.gz IWQCHMBXRICQRJ-CJNGLKHVSA-N 0 3 296.370 2.193 20 30 CEEDHN C#CCNC(=O)CN(C)[C@@H](c1ccccc1)C(C)C ZINC000732983955 574637992 /nfs/dbraw/zinc/63/79/92/574637992.db2.gz MPBBZBMIONPQKC-MRXNPFEDSA-N 0 3 258.365 2.065 20 30 CEEDHN C#CCCN[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000733321760 574663938 /nfs/dbraw/zinc/66/39/38/574663938.db2.gz JBZRVCJZMSRTSW-GFCCVEGCSA-N 0 3 263.341 2.093 20 30 CEEDHN C#CCNC(=O)CNC1(c2cccc(C)c2)CCCC1 ZINC000733794767 574686770 /nfs/dbraw/zinc/68/67/70/574686770.db2.gz QEZOVZPTMZPNBN-UHFFFAOYSA-N 0 3 270.376 2.103 20 30 CEEDHN CNC(=S)NN=C1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000734295138 574707141 /nfs/dbraw/zinc/70/71/41/574707141.db2.gz BGYCVHCDVKNIPP-GFCCVEGCSA-N 0 3 290.436 2.121 20 30 CEEDHN C=CCCC[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735413532 574755901 /nfs/dbraw/zinc/75/59/01/574755901.db2.gz WKQGVWBJFXKKND-UHFFFAOYSA-N 0 3 257.341 2.265 20 30 CEEDHN C=CCCC[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735413532 574755903 /nfs/dbraw/zinc/75/59/03/574755903.db2.gz WKQGVWBJFXKKND-UHFFFAOYSA-N 0 3 257.341 2.265 20 30 CEEDHN C=CCCC[N@@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735413532 574755905 /nfs/dbraw/zinc/75/59/05/574755905.db2.gz WKQGVWBJFXKKND-UHFFFAOYSA-N 0 3 257.341 2.265 20 30 CEEDHN C=CCCC[N@H+](C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735413532 574755908 /nfs/dbraw/zinc/75/59/08/574755908.db2.gz WKQGVWBJFXKKND-UHFFFAOYSA-N 0 3 257.341 2.265 20 30 CEEDHN CC#CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000735450194 574758580 /nfs/dbraw/zinc/75/85/80/574758580.db2.gz XDGOFSZXKGJUTQ-UHFFFAOYSA-N 0 3 283.379 2.348 20 30 CEEDHN CC#CC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000735450194 574758581 /nfs/dbraw/zinc/75/85/81/574758581.db2.gz XDGOFSZXKGJUTQ-UHFFFAOYSA-N 0 3 283.379 2.348 20 30 CEEDHN CN(Cc1cc(Cl)ccc1OCC#N)C(C)(C)CO ZINC000736311716 574782018 /nfs/dbraw/zinc/78/20/18/574782018.db2.gz OHNIMAFFJAKDMR-UHFFFAOYSA-N 0 3 282.771 2.445 20 30 CEEDHN CCN(CC)c1ccc(CNC(=O)C(C)C#N)cc1 ZINC000736671698 574794335 /nfs/dbraw/zinc/79/43/35/574794335.db2.gz CBIHDQDMXCPYHU-GFCCVEGCSA-N 0 3 259.353 2.309 20 30 CEEDHN C#CCCN1CCC(NC(=O)C2(c3ccccc3)CC2)CC1 ZINC000740737707 574967200 /nfs/dbraw/zinc/96/72/00/574967200.db2.gz JZGYKASTRHMVJG-UHFFFAOYSA-N 0 3 296.414 2.322 20 30 CEEDHN C[C@H]1CCCN1CCNC(=S)Nc1ccccc1C#N ZINC000743015797 575040380 /nfs/dbraw/zinc/04/03/80/575040380.db2.gz CPZYFCGBAJMDMW-LBPRGKRZSA-N 0 3 288.420 2.329 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2ccc(SC)o2)CC1 ZINC000743489138 575105166 /nfs/dbraw/zinc/10/51/66/575105166.db2.gz FCHFUMLQZIEGCN-UHFFFAOYSA-N 0 3 292.404 2.219 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2CC[C@H](SC)C2)CC1 ZINC000743626794 575107803 /nfs/dbraw/zinc/10/78/03/575107803.db2.gz NKNBRILRRCKBGN-KBPBESRZSA-N 0 3 297.468 2.220 20 30 CEEDHN Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)N2CCCC2)o1 ZINC000744024325 575112494 /nfs/dbraw/zinc/11/24/94/575112494.db2.gz RIHCUPWUYYZDNB-RYUDHWBXSA-N 0 3 274.320 2.023 20 30 CEEDHN C#CCCN1CCC(NC(=O)Nc2cccc(F)c2)CC1 ZINC000745997934 575146921 /nfs/dbraw/zinc/14/69/21/575146921.db2.gz VXHWITCWDGTAOO-UHFFFAOYSA-N 0 3 289.354 2.435 20 30 CEEDHN CC(C)CN(CC(=O)NCCC#N)Cc1ccccc1 ZINC000746153174 575150033 /nfs/dbraw/zinc/15/00/33/575150033.db2.gz RWKCKLYLZNMFET-UHFFFAOYSA-N 0 3 273.380 2.174 20 30 CEEDHN CN(CCCC(C)(C)C#N)CC(=O)NCc1ccco1 ZINC000746651549 575162044 /nfs/dbraw/zinc/16/20/44/575162044.db2.gz BFFPDOZMNJFCLA-UHFFFAOYSA-N 0 3 277.368 2.158 20 30 CEEDHN CN(C)CCNC(=S)N[C@@H](CCC#N)c1ccccc1 ZINC000747710405 575173990 /nfs/dbraw/zinc/17/39/90/575173990.db2.gz TYSJVKOSTSMTKU-AWEZNQCLSA-N 0 3 290.436 2.057 20 30 CEEDHN C#CCOc1ccc(C(=O)N2CCC23CCN(C)CC3)cc1 ZINC000748325770 575183253 /nfs/dbraw/zinc/18/32/53/575183253.db2.gz KZBITRYASWSRRT-UHFFFAOYSA-N 0 3 298.386 2.009 20 30 CEEDHN c1nncn1N=C1CCCC[C@@H]1N1CCCCCC1 ZINC000749808754 575235037 /nfs/dbraw/zinc/23/50/37/575235037.db2.gz YRNCLYMPSSSIPJ-AWEZNQCLSA-N 0 3 261.373 2.301 20 30 CEEDHN C=CC[N@@H+](Cc1ccc(F)cc1-c1nnn[n-]1)C1CC1 ZINC000823909773 608267177 /nfs/dbraw/zinc/26/71/77/608267177.db2.gz QLGBUEYOQXMPMC-UHFFFAOYSA-N 0 3 273.315 2.156 20 30 CEEDHN C=CC[N@H+](Cc1ccc(F)cc1-c1nnn[n-]1)C1CC1 ZINC000823909773 608267179 /nfs/dbraw/zinc/26/71/79/608267179.db2.gz QLGBUEYOQXMPMC-UHFFFAOYSA-N 0 3 273.315 2.156 20 30 CEEDHN C#CCCC[N@@H+](CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823841564 608353569 /nfs/dbraw/zinc/35/35/69/608353569.db2.gz PCWZBPYFQNNRLS-UHFFFAOYSA-N 0 3 283.379 2.492 20 30 CEEDHN C#CCCC[N@H+](CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823841564 608353570 /nfs/dbraw/zinc/35/35/70/608353570.db2.gz PCWZBPYFQNNRLS-UHFFFAOYSA-N 0 3 283.379 2.492 20 30 CEEDHN C#CCCC[N@@H+](CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823841564 608353572 /nfs/dbraw/zinc/35/35/72/608353572.db2.gz PCWZBPYFQNNRLS-UHFFFAOYSA-N 0 3 283.379 2.492 20 30 CEEDHN C#CCCC[N@H+](CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823841564 608353574 /nfs/dbraw/zinc/35/35/74/608353574.db2.gz PCWZBPYFQNNRLS-UHFFFAOYSA-N 0 3 283.379 2.492 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](CC)Cc2ccccc2)C1 ZINC000970150283 612963227 /nfs/dbraw/zinc/96/32/27/612963227.db2.gz ZESCWVYJXMYHIW-IAGOWNOFSA-N 0 3 284.403 2.079 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC000970274039 612963895 /nfs/dbraw/zinc/96/38/95/612963895.db2.gz XUVLMPFZKJFLQI-VQIMIIECSA-N 0 3 296.414 2.104 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@]2(c3ccccc3)CC2(C)C)C1 ZINC000970320155 612963973 /nfs/dbraw/zinc/96/39/73/612963973.db2.gz PWVHXQVIIVROQF-VQIMIIECSA-N 0 3 296.414 2.178 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000969497919 612965052 /nfs/dbraw/zinc/96/50/52/612965052.db2.gz HSFQQFOSLLQHEN-CQSZACIVSA-N 0 3 295.386 2.222 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000970555951 612965869 /nfs/dbraw/zinc/96/58/69/612965869.db2.gz MXCSDNIUALZDGU-LLVKDONJSA-N 0 3 297.185 2.431 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2sccc2C)C1 ZINC000969212766 612996106 /nfs/dbraw/zinc/99/61/06/612996106.db2.gz GXESYZUXVVDDIY-GFCCVEGCSA-N 0 3 276.405 2.130 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2oc(CC)cc2C)C1 ZINC000970744994 612996249 /nfs/dbraw/zinc/99/62/49/612996249.db2.gz MPUUBGWMJIIPBQ-CYBMUJFWSA-N 0 3 288.391 2.224 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(C(C)C)nc2)C1 ZINC000969842841 612997466 /nfs/dbraw/zinc/99/74/66/612997466.db2.gz SUJUEPSTJLIPOP-AWEZNQCLSA-N 0 3 299.418 2.278 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000981906553 613004509 /nfs/dbraw/zinc/00/45/09/613004509.db2.gz PYMAQZYTAJWGIQ-HNNXBMFYSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC000981896416 613005163 /nfs/dbraw/zinc/00/51/63/613005163.db2.gz OBUZQBFKYTYLBH-HOTGVXAUSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC000967470881 613013292 /nfs/dbraw/zinc/01/32/92/613013292.db2.gz VBGVJHQEDRUSPF-ZBFHGGJFSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC000964799729 613015309 /nfs/dbraw/zinc/01/53/09/613015309.db2.gz DWQIWVAKZAWKRU-GDBMZVCRSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2C)C1 ZINC000968672308 613015653 /nfs/dbraw/zinc/01/56/53/613015653.db2.gz AUEWZTHXPRGKBO-CXAGYDPISA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccccc2C)C1 ZINC000968636111 613022561 /nfs/dbraw/zinc/02/25/61/613022561.db2.gz VSLFGZKUTWAAQP-WMZOPIPTSA-N 0 3 298.430 2.387 20 30 CEEDHN 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ZINC000971922269 613631765 /nfs/dbraw/zinc/63/17/65/613631765.db2.gz LOFDVUPBVHFDGF-BFHYXJOUSA-N 0 3 264.413 2.387 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(C(C)(C)C)on2)C1 ZINC000971923458 613634550 /nfs/dbraw/zinc/63/45/50/613634550.db2.gz UPLPPGCGNDKTSL-LBPRGKRZSA-N 0 3 291.395 2.304 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2c(F)ccc(F)c2F)C1 ZINC000972198512 613634904 /nfs/dbraw/zinc/63/49/04/613634904.db2.gz HWHADGRXAATFGC-JTQLQIEISA-N 0 3 298.308 2.436 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc[nH]c2C(C)C)C1 ZINC000972145188 613636374 /nfs/dbraw/zinc/63/63/74/613636374.db2.gz WOCLKUNMDSXAOW-ZDUSSCGKSA-N 0 3 275.396 2.470 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2sc(C)cc2OC)C1 ZINC000972486266 613640836 /nfs/dbraw/zinc/64/08/36/613640836.db2.gz SDKOOYWGUDIITB-LBPRGKRZSA-N 0 3 294.420 2.397 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)C[C@@H]3CC[C@@H](C)O3)C2)C1 ZINC000981983787 613678214 /nfs/dbraw/zinc/67/82/14/613678214.db2.gz PIFQCARFWHELGM-CABCVRRESA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)c3cc[nH]c3CC)C2)C1 ZINC000981747307 613682089 /nfs/dbraw/zinc/68/20/89/613682089.db2.gz BZNZHVCVJKWQJZ-UHFFFAOYSA-N 0 3 287.407 2.301 20 30 CEEDHN C=CCN1CCCCC[C@@H]1CNC(=O)c1[nH]ccc1C ZINC000968840108 613684046 /nfs/dbraw/zinc/68/40/46/613684046.db2.gz JHTNZCLFHMBIMC-CQSZACIVSA-N 0 3 275.396 2.484 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)Cc2ccoc2)C(C)(C)C1 ZINC000940704735 613744124 /nfs/dbraw/zinc/74/41/24/613744124.db2.gz HZUYCMOWQVJGPM-CQSZACIVSA-N 0 3 276.380 2.225 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cc3cccn3cn2)C[C@H]1C ZINC000947442096 613750812 /nfs/dbraw/zinc/75/08/12/613750812.db2.gz POXBNIZHLQHLMN-ZIAGYGMSSA-N 0 3 298.390 2.103 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3[nH]cnc32)C[C@H]1C ZINC000947841004 613754174 /nfs/dbraw/zinc/75/41/74/613754174.db2.gz IDMRIFCHJMEQBN-CHWSQXEVSA-N 0 3 298.390 2.332 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3[nH]cnc32)[C@@H](C)C1 ZINC000943743542 613754489 /nfs/dbraw/zinc/75/44/89/613754489.db2.gz AQBOJONKLAUGFY-GXTWGEPZSA-N 0 3 298.390 2.189 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cnc(C3CC3)o2)C[C@H]1C ZINC000947403949 613757088 /nfs/dbraw/zinc/75/70/88/613757088.db2.gz JDHGIJACSPDWEY-DGCLKSJQSA-N 0 3 289.379 2.321 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn(C(C)C)c2)[C@H](C)C1 ZINC000944121994 613758653 /nfs/dbraw/zinc/75/86/53/613758653.db2.gz NZZCUBIOQFTLPP-UKRRQHHQSA-N 0 3 290.411 2.090 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cnn3ccccc23)C[C@@H]1C ZINC000947824602 613758941 /nfs/dbraw/zinc/75/89/41/613758941.db2.gz IIYVFXXLEGFZDS-UONOGXRCSA-N 0 3 298.390 2.103 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2csnc2C)C[C@H]1C ZINC000947219797 613760102 /nfs/dbraw/zinc/76/01/02/613760102.db2.gz BJFCMKNEULZQLO-ZYHUDNBSSA-N 0 3 279.409 2.220 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]nc2C2CC2)C[C@@H]1C ZINC000947886035 613786745 /nfs/dbraw/zinc/78/67/45/613786745.db2.gz FRVJBDYLFAPDIQ-AAEUAGOBSA-N 0 3 288.395 2.056 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]c3cccnc32)[C@@H](C)C1 ZINC000944153318 613786761 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ZINC000958809375 613837460 /nfs/dbraw/zinc/83/74/60/613837460.db2.gz DSDBNKGYQDRTHM-HNNXBMFYSA-N 0 3 289.354 2.188 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1coc2ccccc12 ZINC000962138702 613838083 /nfs/dbraw/zinc/83/80/83/613838083.db2.gz BNZBDINMEFSXGP-HWWDLCQESA-N 0 3 296.370 2.208 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc(Cl)s1 ZINC000961990413 613838251 /nfs/dbraw/zinc/83/82/51/613838251.db2.gz BQVPYZHGSFLJHM-YABSGUDNSA-N 0 3 296.823 2.176 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC1(C)C ZINC000961521257 613838998 /nfs/dbraw/zinc/83/89/98/613838998.db2.gz GXQSZSBWUOUWOW-RFQIPJPRSA-N 0 3 262.397 2.045 20 30 CEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccco1 ZINC000960242449 613871387 /nfs/dbraw/zinc/87/13/87/613871387.db2.gz QHBIZDWPUHMZDQ-GDBMZVCRSA-N 0 3 282.343 2.451 20 30 CEEDHN CC[C@H](F)CN1C[C@]2(C)CN(C(=O)[C@@H](C)C#N)C[C@]2(C)C1 ZINC000982236245 615786844 /nfs/dbraw/zinc/78/68/44/615786844.db2.gz FZZXIUFYZPUBOX-DARAHFNDSA-N 0 3 295.402 2.065 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1=COCCC1 ZINC001024351728 625527757 /nfs/dbraw/zinc/52/77/57/625527757.db2.gz AGHFEEYCDIEQSW-OAHLLOKOSA-N 0 3 278.396 2.228 20 30 CEEDHN C#CCOc1ccc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000177077290 625533716 /nfs/dbraw/zinc/53/37/16/625533716.db2.gz KZQURXKYBGDMMU-ZFWWWQNUSA-N 0 3 298.386 2.054 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CC(C)(C)CO1 ZINC000892466162 625546253 /nfs/dbraw/zinc/54/62/53/625546253.db2.gz ZYLZJCGHMFILMC-OLZOCXBDSA-N 0 3 294.395 2.207 20 30 CEEDHN C=CC[C@H]1CCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000890562821 622607017 /nfs/dbraw/zinc/60/70/17/622607017.db2.gz HKHKSOOUXKBUAP-SJORKVTESA-N 0 3 299.418 2.471 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccn(CC)c2C)C1 ZINC001020498348 622654884 /nfs/dbraw/zinc/65/48/84/622654884.db2.gz HCEYHLUYGVFQJI-JOCQHMNTSA-N 0 3 295.814 2.419 20 30 CEEDHN CC(=O)N1CCC[C@H]2CN(Cc3cccc(C#N)c3)CC[C@H]21 ZINC001021477268 623214787 /nfs/dbraw/zinc/21/47/87/623214787.db2.gz VBDUCVQPECFIKF-ZWKOTPCHSA-N 0 3 297.402 2.391 20 30 CEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccsc2)C1 ZINC001021511043 623240145 /nfs/dbraw/zinc/24/01/45/623240145.db2.gz LRZNXNMKAOTPLD-ZFWWWQNUSA-N 0 3 288.416 2.308 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)C2CCC2)C1 ZINC000970931264 623329792 /nfs/dbraw/zinc/32/97/92/623329792.db2.gz IJCJDOHYLAFMGQ-QGZVFWFLSA-N 0 3 297.402 2.391 20 30 CEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C2(F)CCCC2)C1 ZINC001021620096 623346361 /nfs/dbraw/zinc/34/63/61/623346361.db2.gz PJURBIVKNLVUDK-HUUCEWRRSA-N 0 3 292.398 2.215 20 30 CEEDHN C=CC[C@H](C(=O)OC)N1CCC[C@H](C2CCOCC2)C1 ZINC000933088973 623489106 /nfs/dbraw/zinc/48/91/06/623489106.db2.gz NWLDUWDKJWEVKY-LSDHHAIUSA-N 0 3 281.396 2.243 20 30 CEEDHN C#CCC1(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCC1 ZINC000933300605 623627107 /nfs/dbraw/zinc/62/71/07/623627107.db2.gz IOEZGIDDYDDLHZ-INIZCTEOSA-N 0 3 293.370 2.199 20 30 CEEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2(C)CC2)C1 ZINC000971581118 623684943 /nfs/dbraw/zinc/68/49/43/623684943.db2.gz BQUWCPNHLFKEMW-MRXNPFEDSA-N 0 3 297.402 2.391 20 30 CEEDHN C[C@H]1C[C@H](NCC2CCC(C#N)CC2)c2ncnn21 ZINC000926355457 624332342 /nfs/dbraw/zinc/33/23/42/624332342.db2.gz IAWZFLASNUKJSO-WTIISPKJSA-N 0 3 259.357 2.203 20 30 CEEDHN C[C@@H]1C[C@@H](NCC2CCC(C#N)CC2)c2ncnn21 ZINC000926355456 624332563 /nfs/dbraw/zinc/33/25/63/624332563.db2.gz IAWZFLASNUKJSO-IKWCTNDRSA-N 0 3 259.357 2.203 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001022673275 624373088 /nfs/dbraw/zinc/37/30/88/624373088.db2.gz IVUXEHFWKVRVBB-DTORHVGOSA-N 0 3 288.178 2.271 20 30 CEEDHN C=CC[C@@H]1CCN1C[C@@H](O)c1cc(OC)ccc1OC ZINC000934460464 624507394 /nfs/dbraw/zinc/50/73/94/624507394.db2.gz POMFIAHFHHDHNI-IUODEOHRSA-N 0 3 277.364 2.388 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)C3C=CC=CC=C3)CCC[C@H]12 ZINC000990931915 634403693 /nfs/dbraw/zinc/40/36/93/634403693.db2.gz AMSTXKDMKFZZDK-PKOBYXMFSA-N 0 3 296.414 2.421 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000246067558 624967161 /nfs/dbraw/zinc/96/71/61/624967161.db2.gz XJQYJAIVNYMSCH-KBPBESRZSA-N 0 3 298.427 2.303 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc[nH]c2CC)C1 ZINC001023352592 624993915 /nfs/dbraw/zinc/99/39/15/624993915.db2.gz PPJOMWHNRKKHQM-AWEZNQCLSA-N 0 3 287.407 2.042 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(C)nc(C)c2)C1 ZINC001023394389 625004311 /nfs/dbraw/zinc/00/43/11/625004311.db2.gz SMVSVJSXYKHWTK-MRXNPFEDSA-N 0 3 299.418 2.164 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)C23CCC(CC2)C3)C1 ZINC001023445052 625016006 /nfs/dbraw/zinc/01/60/06/625016006.db2.gz DXVFAPKFPDTRSS-ISXOHVOVSA-N 0 3 274.408 2.028 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001023507552 625028293 /nfs/dbraw/zinc/02/82/93/625028293.db2.gz UVBQJQNHTWEHBJ-VQHPVUNQSA-N 0 3 288.435 2.274 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001023547117 625039042 /nfs/dbraw/zinc/03/90/42/625039042.db2.gz DEAWJORBGSHDRF-LSDHHAIUSA-N 0 3 276.424 2.274 20 30 CEEDHN C=CCN1CCC[C@H](CNC(=O)c2ocnc2C2CC2)C1 ZINC001023587061 625052839 /nfs/dbraw/zinc/05/28/39/625052839.db2.gz FCOFTIQSFACAMR-GFCCVEGCSA-N 0 3 289.379 2.180 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001023587163 625052994 /nfs/dbraw/zinc/05/29/94/625052994.db2.gz GHDOGQUNSHZCCJ-UONOGXRCSA-N 0 3 298.377 2.273 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(C)nc2C)C1 ZINC001023762211 625202096 /nfs/dbraw/zinc/20/20/96/625202096.db2.gz UDELOZZUMXAUDA-INIZCTEOSA-N 0 3 299.418 2.164 20 30 CEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001024635755 625732528 /nfs/dbraw/zinc/73/25/28/625732528.db2.gz JZARSWPQRHHZGD-LBPRGKRZSA-N 0 3 293.798 2.276 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1c(C)n[nH]c1C ZINC001024712551 625771528 /nfs/dbraw/zinc/77/15/28/625771528.db2.gz ARKOAWVBBMMKLZ-CQSZACIVSA-N 0 3 290.411 2.187 20 30 CEEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1c[nH]c2cccnc12 ZINC001024757980 625795975 /nfs/dbraw/zinc/79/59/75/625795975.db2.gz LNPIAAWJRXBSDV-CYBMUJFWSA-N 0 3 298.390 2.333 20 30 CEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1[nH]cnc1CC ZINC001024783010 625810560 /nfs/dbraw/zinc/81/05/60/625810560.db2.gz NTHIJIQDQSEJMU-ZDUSSCGKSA-N 0 3 290.411 2.133 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cnc(CC(C)C)s1 ZINC000820679462 634500538 /nfs/dbraw/zinc/50/05/38/634500538.db2.gz FAGFGFCDYCDQNS-UHFFFAOYSA-N 0 3 293.436 2.027 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC000820688123 634504035 /nfs/dbraw/zinc/50/40/35/634504035.db2.gz KHYNSDRFLCRSQC-MSOLQXFVSA-N 0 3 298.430 2.327 20 30 CEEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C=C(C)C ZINC001025190770 627375281 /nfs/dbraw/zinc/37/52/81/627375281.db2.gz ZYLCCZHMFBQKHI-HOTGVXAUSA-N 0 3 274.408 2.431 20 30 CEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccccn1 ZINC001025194140 627377160 /nfs/dbraw/zinc/37/71/60/627377160.db2.gz AXBDJZPQPKBAST-IAGOWNOFSA-N 0 3 297.402 2.174 20 30 CEEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cocn1 ZINC001025210354 627381203 /nfs/dbraw/zinc/38/12/03/627381203.db2.gz PYEGHHBJPDTWBC-CABCVRRESA-N 0 3 289.379 2.320 20 30 CEEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc[nH]c1C ZINC001025222166 627385853 /nfs/dbraw/zinc/38/58/53/627385853.db2.gz SZLMMNWPOIGSSY-IAGOWNOFSA-N 0 3 299.418 2.415 20 30 CEEDHN CC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001025301711 627622454 /nfs/dbraw/zinc/62/24/54/627622454.db2.gz OMSZTJLUBZOHBS-SUMWQHHRSA-N 0 3 285.391 2.295 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cncc(C)c2)C1 ZINC001025373476 627663801 /nfs/dbraw/zinc/66/38/01/627663801.db2.gz BJIXAVSRXFYSJX-JKSUJKDBSA-N 0 3 299.418 2.244 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C)c(C)o2)C1 ZINC001025392708 627671612 /nfs/dbraw/zinc/67/16/12/627671612.db2.gz ZGTCLWPXGPRCRM-HIFRSBDPSA-N 0 3 288.391 2.360 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(CC)n2)C1 ZINC001025441401 627698569 /nfs/dbraw/zinc/69/85/69/627698569.db2.gz CXBIICPCDQFZAL-HUUCEWRRSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2occc2Cl)C1 ZINC001025524558 627732683 /nfs/dbraw/zinc/73/26/83/627732683.db2.gz UTVBQXDPANUFQN-VXGBXAGGSA-N 0 3 294.782 2.397 20 30 CEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2CC3(CC3)C2)C1 ZINC001025534583 627738949 /nfs/dbraw/zinc/73/89/49/627738949.db2.gz QIGRQWYRDNRZSP-CABCVRRESA-N 0 3 288.435 2.417 20 30 CEEDHN COC(=O)c1sccc1CNCCCCC#N ZINC000892929830 627856347 /nfs/dbraw/zinc/85/63/47/627856347.db2.gz LTBWYOXUXGWTAT-UHFFFAOYSA-N 0 3 252.339 2.318 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001019976749 627927786 /nfs/dbraw/zinc/92/77/86/627927786.db2.gz SMJPUDAYTLWMBO-JHJVBQTASA-N 0 3 268.788 2.332 20 30 CEEDHN CN(Cc1cc(Cl)cc(C#N)c1)[C@@H]1CCC(=O)N(C)C1 ZINC000930564933 628091494 /nfs/dbraw/zinc/09/14/94/628091494.db2.gz PMTKXJKQYDVXFW-CQSZACIVSA-N 0 3 291.782 2.264 20 30 CEEDHN C#C[C@@](C)(CC)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000854704085 628265784 /nfs/dbraw/zinc/26/57/84/628265784.db2.gz KXQOWEHRFUAUTI-LSDHHAIUSA-N 0 3 268.376 2.117 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(CCCF)C2)C1 ZINC001008464613 628343584 /nfs/dbraw/zinc/34/35/84/628343584.db2.gz ODZURSBLOCDTFZ-ZDUSSCGKSA-N 0 3 268.376 2.283 20 30 CEEDHN N#Cc1ccccc1CNC[C@H]1CCN(C(=O)C2CCC2)C1 ZINC001026636984 628465091 /nfs/dbraw/zinc/46/50/91/628465091.db2.gz ZVVJLMJSOHKHOH-CQSZACIVSA-N 0 3 297.402 2.296 20 30 CEEDHN C#CCNC(=O)CN(Cc1ccccc1)[C@@H](C)CC ZINC000066864726 628567069 /nfs/dbraw/zinc/56/70/69/628567069.db2.gz XIUIERQJYRUYNY-AWEZNQCLSA-N 0 3 258.365 2.037 20 30 CEEDHN N#Cc1cncc(CN2CC[C@@H]3CSC[C@@H]3C2)c1 ZINC000931551664 628693097 /nfs/dbraw/zinc/69/30/97/628693097.db2.gz ZCKWVKASSWQMDT-KGLIPLIRSA-N 0 3 259.378 2.138 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N(C)[C@H]2CCCN(C)C2)c1 ZINC000931701677 628799184 /nfs/dbraw/zinc/79/91/84/628799184.db2.gz YSICAVQFWPONKW-HNNXBMFYSA-N 0 3 286.379 2.425 20 30 CEEDHN COC(=O)[C@@H]1[C@@H](CN[C@@H](C)c2ccc(C#N)cc2)C1(F)F ZINC000894164958 629179593 /nfs/dbraw/zinc/17/95/93/629179593.db2.gz LPXUUNDNCLHBJZ-BIMULSAOSA-N 0 3 294.301 2.263 20 30 CEEDHN CC(=O)OC[C@@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000894271937 629289959 /nfs/dbraw/zinc/28/99/59/629289959.db2.gz WFLKKSLSJVMDKQ-SECBINFHSA-N 0 3 266.728 2.253 20 30 CEEDHN CC(=O)OC[C@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000894271944 629290109 /nfs/dbraw/zinc/29/01/09/629290109.db2.gz WFLKKSLSJVMDKQ-VIFPVBQESA-N 0 3 266.728 2.253 20 30 CEEDHN Cn1cc2c(n1)CCC[C@H]2NCc1ccc(OCC#N)cc1 ZINC000794811351 629325530 /nfs/dbraw/zinc/32/55/30/629325530.db2.gz PUAMTCMRUBKRPT-MRXNPFEDSA-N 0 3 296.374 2.490 20 30 CEEDHN CC[C@@H]1CCCC[C@@H]1CN1CCN(C(=O)CC#N)CC1 ZINC000895067270 629843734 /nfs/dbraw/zinc/84/37/34/629843734.db2.gz SSOJEIWATOWOSN-HUUCEWRRSA-N 0 3 277.412 2.261 20 30 CEEDHN COCCN1[C@H](C)CN(Cc2ccccc2C#N)C[C@@H]1C ZINC000178985087 629885204 /nfs/dbraw/zinc/88/52/04/629885204.db2.gz HIKPLMNYHUIIAV-GASCZTMLSA-N 0 3 287.407 2.099 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895095132 629888139 /nfs/dbraw/zinc/88/81/39/629888139.db2.gz GDTZBRAPMQKXIU-NSHDSACASA-N 0 3 282.727 2.112 20 30 CEEDHN C=CCCCN(CC)CN1C[C@@H](C2CC2)CC1=O ZINC000902669871 634776642 /nfs/dbraw/zinc/77/66/42/634776642.db2.gz SHSAXENSWPXWLZ-AWEZNQCLSA-N 0 3 250.386 2.491 20 30 CEEDHN O=C1[C@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CCCN1[O-] ZINC000895159049 629976053 /nfs/dbraw/zinc/97/60/53/629976053.db2.gz REOOYDLRNDLOPN-UZANAETPSA-N 0 3 296.317 2.181 20 30 CEEDHN CCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000796886033 630053453 /nfs/dbraw/zinc/05/34/53/630053453.db2.gz WHKQMGHZDLGMHK-NSHDSACASA-N 0 3 264.712 2.075 20 30 CEEDHN C=CCCNCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000895329803 630119006 /nfs/dbraw/zinc/11/90/06/630119006.db2.gz JVOKIPPBXLELGA-UHFFFAOYSA-N 0 3 280.372 2.433 20 30 CEEDHN C#C[C@@H](NCc1cnc2onc(C)c2c1)C1CCOCC1 ZINC000895331904 630119699 /nfs/dbraw/zinc/11/96/99/630119699.db2.gz BIOFAZMAKUNNRC-OAHLLOKOSA-N 0 3 285.347 2.049 20 30 CEEDHN CC1(C)CC[C@H](CNCc2cccc(C#N)n2)OC1 ZINC000895528938 630235093 /nfs/dbraw/zinc/23/50/93/630235093.db2.gz CHQFLLPVFUXQCA-CQSZACIVSA-N 0 3 259.353 2.248 20 30 CEEDHN CC(C)(CNCC#Cc1ccccc1)C(=O)N1CCCC1 ZINC000895632215 630281197 /nfs/dbraw/zinc/28/11/97/630281197.db2.gz VSKXBDXTRFYJPZ-UHFFFAOYSA-N 0 3 284.403 2.276 20 30 CEEDHN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)C(C#N)C(=O)N1CCCC1 ZINC000797546972 630287044 /nfs/dbraw/zinc/28/70/44/630287044.db2.gz ARTHGXOSKIQHPY-TUUVXOQKSA-N 0 3 296.370 2.367 20 30 CEEDHN C#CCSCC(=O)Nc1ccccc1CN(C)C ZINC000895688357 630302338 /nfs/dbraw/zinc/30/23/38/630302338.db2.gz IUOAFXCCCJIQBX-UHFFFAOYSA-N 0 3 262.378 2.053 20 30 CEEDHN C=CCCSCCNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000895693679 630303941 /nfs/dbraw/zinc/30/39/41/630303941.db2.gz LDVOOJGGXDWHSA-CYBMUJFWSA-N 0 3 285.457 2.031 20 30 CEEDHN CN1CC[C@H]1CNc1ccc2cc(C#N)ccc2n1 ZINC000895770321 630338760 /nfs/dbraw/zinc/33/87/60/630338760.db2.gz LXPPRGXHANSDGR-ZDUSSCGKSA-N 0 3 252.321 2.222 20 30 CEEDHN C=CCC1(O)CCN(Cc2cccn(C(F)F)c2=O)CC1 ZINC000895834477 630371130 /nfs/dbraw/zinc/37/11/30/630371130.db2.gz LUMJPFBMJPFMJI-UHFFFAOYSA-N 0 3 298.333 2.146 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccn3ccccc23)CC1 ZINC000896208676 630499900 /nfs/dbraw/zinc/49/99/00/630499900.db2.gz MPEGMWJNSAALND-UHFFFAOYSA-N 0 3 283.375 2.320 20 30 CEEDHN CC[C@@H](NCC(=O)N(CC)CC)c1cccc(C#N)c1 ZINC000902766761 634817835 /nfs/dbraw/zinc/81/78/35/634817835.db2.gz QXDAVHXFWNKPID-OAHLLOKOSA-N 0 3 273.380 2.467 20 30 CEEDHN COc1ccc([C@H](NC(C)C)C(=O)NC[C@@H](C)C#N)cc1 ZINC000896742358 630649179 /nfs/dbraw/zinc/64/91/79/630649179.db2.gz LILXIAIVBZUAOP-WFASDCNBSA-N 0 3 289.379 2.010 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1N1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000896912921 630797438 /nfs/dbraw/zinc/79/74/38/630797438.db2.gz JWRQXMSABKYQLP-PBHICJAKSA-N 0 3 283.375 2.149 20 30 CEEDHN C#CCNC(=O)CN[C@H]1CC(C)(C)CCc2ccccc21 ZINC000799339199 631014503 /nfs/dbraw/zinc/01/45/03/631014503.db2.gz JWZPBBSAVLLJFR-INIZCTEOSA-N 0 3 284.403 2.429 20 30 CEEDHN Cc1ccc(C(=O)N(CCN(C)C)C(C)C)cc1C#N ZINC000799353218 631019554 /nfs/dbraw/zinc/01/95/54/631019554.db2.gz DYSSUHUNPQFGSN-UHFFFAOYSA-N 0 3 273.380 2.279 20 30 CEEDHN Cc1ccc(C(=O)NCCN2CCCC[C@@H]2C)cc1C#N ZINC000799560481 631044782 /nfs/dbraw/zinc/04/47/82/631044782.db2.gz JBINRXIAKOHJLK-AWEZNQCLSA-N 0 3 285.391 2.471 20 30 CEEDHN Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1C#N ZINC000799680197 631061167 /nfs/dbraw/zinc/06/11/67/631061167.db2.gz JTYCZIIBEAPOON-IUODEOHRSA-N 0 3 283.375 2.222 20 30 CEEDHN COc1ccc2c(c1)CCCN(CCO[C@H](C)C#N)C2 ZINC000801917674 631353921 /nfs/dbraw/zinc/35/39/21/631353921.db2.gz LNBLUOLWAIVWFO-CYBMUJFWSA-N 0 3 274.364 2.372 20 30 CEEDHN Cc1n[nH]c(C)c1[C@H]1CCCN1CCO[C@@H](C)C#N ZINC000801935991 631362652 /nfs/dbraw/zinc/36/26/52/631362652.db2.gz NXZZTQFUZIDULT-GXFFZTMASA-N 0 3 262.357 2.092 20 30 CEEDHN CCc1ccccc1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CC1 ZINC000802040803 631377416 /nfs/dbraw/zinc/37/74/16/631377416.db2.gz LASRBVJPEMHWJN-XHSDSOJGSA-N 0 3 296.370 2.340 20 30 CEEDHN Cc1cc(C#N)cc(NC(=S)NC2CCN(C)CC2)c1 ZINC000840829288 631494078 /nfs/dbraw/zinc/49/40/78/631494078.db2.gz YPFHKORWFRCZGD-UHFFFAOYSA-N 0 3 288.420 2.247 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)C(C)=C2CCCC2)C1 ZINC000988556966 631608698 /nfs/dbraw/zinc/60/86/98/631608698.db2.gz VBDFXDHTDDRHFX-WFASDCNBSA-N 0 3 260.381 2.089 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3occc3c2)C1 ZINC000988874620 631703312 /nfs/dbraw/zinc/70/33/12/631703312.db2.gz LJHOHJMZOHYHGK-WFASDCNBSA-N 0 3 282.343 2.259 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(F)ccc2CC)C1 ZINC000989096146 631723159 /nfs/dbraw/zinc/72/31/59/631723159.db2.gz VXBWHIZMCLQPGJ-DOMZBBRYSA-N 0 3 288.366 2.214 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)C2CCC3(CC3)CC2)C1 ZINC000989204648 631748192 /nfs/dbraw/zinc/74/81/92/631748192.db2.gz ZWZNGJWELRISDH-DZGCQCFKSA-N 0 3 274.408 2.169 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC000989275701 631765236 /nfs/dbraw/zinc/76/52/36/631765236.db2.gz PWCSWCJCAIHPKK-ZFWWWQNUSA-N 0 3 295.386 2.302 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]3C[C@H]32)CC1 ZINC000806745341 631770515 /nfs/dbraw/zinc/77/05/15/631770515.db2.gz PLWGTUUIYYCWTP-DZGCQCFKSA-N 0 3 277.412 2.221 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cncc3sccc32)C1 ZINC000989344657 631784922 /nfs/dbraw/zinc/78/49/22/631784922.db2.gz QYJPEECNOXKZTH-NWDGAFQWSA-N 0 3 299.399 2.122 20 30 CEEDHN CO[C@H](CN(C)Cc1cc(C#N)cs1)C1CCOCC1 ZINC000897624740 631830330 /nfs/dbraw/zinc/83/03/30/631830330.db2.gz WTPWCQODISHONA-OAHLLOKOSA-N 0 3 294.420 2.493 20 30 CEEDHN C=C(C)COc1cc(CN2C[C@@H](C)[C@@H](O)C2)ccc1OC ZINC000897684451 631868781 /nfs/dbraw/zinc/86/87/81/631868781.db2.gz PJAVNXFXAMGMTR-HIFRSBDPSA-N 0 3 291.391 2.463 20 30 CEEDHN C[C@H]1CCCN1CCNC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000898038357 632031369 /nfs/dbraw/zinc/03/13/69/632031369.db2.gz KRZKLYWMONEOGB-PBMMVSLJSA-N 0 3 289.423 2.307 20 30 CEEDHN C#Cc1ccc(CNCc2cccc(CO)c2)cc1 ZINC000809425267 632089952 /nfs/dbraw/zinc/08/99/52/632089952.db2.gz WGHVLRRRLBYNAZ-UHFFFAOYSA-N 0 3 251.329 2.450 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(CC)c(CC)o2)C1 ZINC000989687427 632224211 /nfs/dbraw/zinc/22/42/11/632224211.db2.gz XSWNPBSLTJDCPU-OCCSQVGLSA-N 0 3 288.391 2.230 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccoc3)CCC[C@H]12 ZINC000989954741 632289169 /nfs/dbraw/zinc/28/91/69/632289169.db2.gz RSYZUNMYEOLOFO-ZFWWWQNUSA-N 0 3 260.337 2.192 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H]3C=CCC3)CCC[C@@H]12 ZINC000989943677 632290369 /nfs/dbraw/zinc/29/03/69/632290369.db2.gz ZWHBZOGGFLHIRD-BFYDXBDKSA-N 0 3 272.392 2.089 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CCCOCC3)CCC[C@H]12 ZINC000990476819 632367117 /nfs/dbraw/zinc/36/71/17/632367117.db2.gz PQHRQLKKOWKSOV-YQQAZPJKSA-N 0 3 292.423 2.102 20 30 CEEDHN CC[C@H](O)CNN=C1CCCC[C@@H]1N1CCCCC1 ZINC000811656152 632416350 /nfs/dbraw/zinc/41/63/50/632416350.db2.gz GBJUXCWZEJHOGW-ZFWWWQNUSA-N 0 3 267.417 2.131 20 30 CEEDHN C#Cc1ccc(C(=O)N(CC)[C@@H]2CCN(CC)C2)cc1 ZINC000898675337 632575045 /nfs/dbraw/zinc/57/50/45/632575045.db2.gz PDWUWZQIOIENGJ-MRXNPFEDSA-N 0 3 270.376 2.224 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCC#N ZINC000813057639 632612099 /nfs/dbraw/zinc/61/20/99/632612099.db2.gz OCXZLUVGPWIIGO-LLVKDONJSA-N 0 3 266.304 2.443 20 30 CEEDHN COC(=O)c1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1C ZINC000899379958 632821551 /nfs/dbraw/zinc/82/15/51/632821551.db2.gz DMGNFODBMZJIMQ-JLATVTFTSA-N 0 3 297.314 2.214 20 30 CEEDHN CC(=NNCCO)c1ccc(N2CCCCCC2)cc1 ZINC000814943769 632938141 /nfs/dbraw/zinc/93/81/41/632938141.db2.gz UIDGDCVWKIQHNM-UHFFFAOYSA-N 0 3 275.396 2.373 20 30 CEEDHN C#C[C@@H](NCc1ccc(N(C)C)c(C)c1)[C@@H]1CCCO1 ZINC000815094157 632958066 /nfs/dbraw/zinc/95/80/66/632958066.db2.gz ZDJCHCXTXFEGDD-WBVHZDCISA-N 0 3 272.392 2.331 20 30 CEEDHN C=CCn1cc(CN[C@H]2CCC[C@H]2Cc2ccccn2)nn1 ZINC000899884447 633072582 /nfs/dbraw/zinc/07/25/82/633072582.db2.gz DMIANIYBHLIBPX-YOEHRIQHSA-N 0 3 297.406 2.360 20 30 CEEDHN CC[C@@H](N[C@H](C)C(=O)N(C)C)c1cccc(C#N)c1 ZINC000902875633 634865940 /nfs/dbraw/zinc/86/59/40/634865940.db2.gz NZDUANJMJINMOU-BXUZGUMPSA-N 0 3 259.353 2.076 20 30 CEEDHN CC[C@@H](C#N)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900472620 633735763 /nfs/dbraw/zinc/73/57/63/633735763.db2.gz WHLRPPKLYBKVTR-LBPRGKRZSA-N 0 3 270.336 2.323 20 30 CEEDHN Cc1ccc(C(=O)/C=C/C(=O)NCCN(C)C(C)C)cc1 ZINC000900697433 633801752 /nfs/dbraw/zinc/80/17/52/633801752.db2.gz AXLLOKFHGRXGPT-MDZDMXLPSA-N 0 3 288.391 2.190 20 30 CEEDHN CC[C@](C)(NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000818115655 633871975 /nfs/dbraw/zinc/87/19/75/633871975.db2.gz QEQOGLLZHXXDIJ-HOCLYGCPSA-N 0 3 273.380 2.449 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)CC1N=Nc1ccnn1C ZINC000901220104 633995622 /nfs/dbraw/zinc/99/56/22/633995622.db2.gz JXJORNZXQJWVDV-ZDUSSCGKSA-N 0 3 283.379 2.340 20 30 CEEDHN C[C@@H]1CC(NC(=O)c2ccc(NC3=NCCC3)cc2)=NO1 ZINC000901250059 634008238 /nfs/dbraw/zinc/00/82/38/634008238.db2.gz OOJLLAPQFDDZLN-SNVBAGLBSA-N 0 3 286.335 2.143 20 30 CEEDHN CSc1cc(CNC[C@@H](O)c2ccc(C#N)cc2)ccn1 ZINC000819205087 634104263 /nfs/dbraw/zinc/10/42/63/634104263.db2.gz DRUASKMZWUVPAM-OAHLLOKOSA-N 0 3 299.399 2.498 20 30 CEEDHN C#C[C@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccc(F)cc1 ZINC000819997668 634309932 /nfs/dbraw/zinc/30/99/32/634309932.db2.gz MRNABXAQLUQGAU-JKSUJKDBSA-N 0 3 288.366 2.489 20 30 CEEDHN C[C@@H](NC[C@H](O)CC(C)(C)C)c1cc(C#N)ccn1 ZINC000902808455 634831689 /nfs/dbraw/zinc/83/16/89/634831689.db2.gz ISUOOYDBYNZQID-DGCLKSJQSA-N 0 3 261.369 2.401 20 30 CEEDHN CC[C@H](NCC1(C#N)CCC1)C1(C(=O)OC)CCC1 ZINC000903031748 634939431 /nfs/dbraw/zinc/93/94/31/634939431.db2.gz DHBXJAOCGARINP-LBPRGKRZSA-N 0 3 264.369 2.392 20 30 CEEDHN COC1([C@H](C)N[C@@H](C)c2cc(C#N)ccn2)CCOCC1 ZINC000903022544 634944972 /nfs/dbraw/zinc/94/49/72/634944972.db2.gz JYFIAZQHNMOKSE-STQMWFEESA-N 0 3 289.379 2.188 20 30 CEEDHN C[C@H](N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1cc(C#N)ccn1 ZINC000903079012 634959840 /nfs/dbraw/zinc/95/98/40/634959840.db2.gz ZHVYXVVSALLNOQ-MIUQCNTGSA-N 0 3 269.348 2.027 20 30 CEEDHN N#CC1(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000903105230 634972075 /nfs/dbraw/zinc/97/20/75/634972075.db2.gz AYBOBSDWWVOTAH-NEPJUHHUSA-N 0 3 289.339 2.168 20 30 CEEDHN C=CCC[C@@H](NCc1cn(C)nc1OC)[C@@H]1CCCO1 ZINC000903346097 635073443 /nfs/dbraw/zinc/07/34/43/635073443.db2.gz RASZCUKQHQAFOA-KGLIPLIRSA-N 0 3 279.384 2.032 20 30 CEEDHN C[C@H](N[C@@H]1COC[C@H]1C1CC1)c1cc(C#N)ccn1 ZINC000903439273 635118657 /nfs/dbraw/zinc/11/86/57/635118657.db2.gz CTSDDPACEYUFRD-VZJVUDMVSA-N 0 3 257.337 2.029 20 30 CEEDHN C=CC[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823888707 635301409 /nfs/dbraw/zinc/30/14/09/635301409.db2.gz UMSLMCFHCDKOQT-GHMZBOCLSA-N 0 3 257.341 2.482 20 30 CEEDHN C=CC[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823888707 635301417 /nfs/dbraw/zinc/30/14/17/635301417.db2.gz UMSLMCFHCDKOQT-GHMZBOCLSA-N 0 3 257.341 2.482 20 30 CEEDHN C=CCSCC[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823936975 635308242 /nfs/dbraw/zinc/30/82/42/635308242.db2.gz BXXLPFBVYXFZSW-NSHDSACASA-N 0 3 289.408 2.437 20 30 CEEDHN C=CCSCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823936975 635308250 /nfs/dbraw/zinc/30/82/50/635308250.db2.gz BXXLPFBVYXFZSW-NSHDSACASA-N 0 3 289.408 2.437 20 30 CEEDHN C#C[C@H](NC(=O)CN(C)CC(C)(C)C)c1ccccc1 ZINC000824009501 635321242 /nfs/dbraw/zinc/32/12/42/635321242.db2.gz HEIUWAPVXBKSOC-HNNXBMFYSA-N 0 3 272.392 2.455 20 30 CEEDHN C#CC1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000825551201 635661446 /nfs/dbraw/zinc/66/14/46/635661446.db2.gz FWWFCFGAPMXPSL-QGZVFWFLSA-N 0 3 299.418 2.344 20 30 CEEDHN O=C(C#Cc1cccs1)N1CC[C@@H](N2CCCCC2)C1 ZINC000825763907 635709677 /nfs/dbraw/zinc/70/96/77/635709677.db2.gz DUXVEMUHHWQZFY-CQSZACIVSA-N 0 3 288.416 2.186 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)C#Cc1cccs1 ZINC000825829833 635718043 /nfs/dbraw/zinc/71/80/43/635718043.db2.gz FRERYDAFCVQHII-ZDUSSCGKSA-N 0 3 276.405 2.090 20 30 CEEDHN C#Cc1cncc(-c2ccccc2CN2CCN(C)CC2)c1 ZINC000904805194 635739599 /nfs/dbraw/zinc/73/95/99/635739599.db2.gz KNHOSRYFKWLJCV-UHFFFAOYSA-N 0 3 291.398 2.477 20 30 CEEDHN CC[C@](O)(CNCc1ccc(C#N)cc1)C(F)(F)F ZINC000905039687 635782617 /nfs/dbraw/zinc/78/26/17/635782617.db2.gz XEIRNQGGPVBLHV-LBPRGKRZSA-N 0 3 272.270 2.351 20 30 CEEDHN COc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1OC ZINC000905079310 635796255 /nfs/dbraw/zinc/79/62/55/635796255.db2.gz ANVHHTXFTOIUKK-VKRGWIQLSA-N 0 3 285.303 2.136 20 30 CEEDHN COc1cc(C)c(/C=C2/C(=O)c3ncnn3C2C)c(C)n1 ZINC000905084609 635798966 /nfs/dbraw/zinc/79/89/66/635798966.db2.gz JGDWUNLJIXSWRR-PQTFEYQYSA-N 0 3 284.319 2.139 20 30 CEEDHN COc1cc(C)cc(/C=C2/C(=O)c3ncnn3C2C)c1OC ZINC000905084622 635798985 /nfs/dbraw/zinc/79/89/85/635798985.db2.gz JIYQLAJBNNMDJK-CEXMDJMXSA-N 0 3 299.330 2.445 20 30 CEEDHN CC1/C(=C\c2ccc3c(c2)CCN3C)C(=O)c2ncnn21 ZINC000905086036 635800461 /nfs/dbraw/zinc/80/04/61/635800461.db2.gz QRSYYRZMOKIIQR-SEEODLKFSA-N 0 3 280.331 2.111 20 30 CEEDHN C#C[C@H](NCc1cc(F)cc(OC)c1)C1CCOCC1 ZINC000827554946 636351961 /nfs/dbraw/zinc/35/19/61/636351961.db2.gz LRZCZBMHKVDCPM-INIZCTEOSA-N 0 3 277.339 2.352 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCc1cnn(CC2CCC2)c1 ZINC000905642023 636378600 /nfs/dbraw/zinc/37/86/00/636378600.db2.gz VXXNFWYBNREBBG-OAHLLOKOSA-N 0 3 290.411 2.074 20 30 CEEDHN C=CC[C@H](NC[C@@H]1CCN1C1CCCCC1)C(=O)OC ZINC000905775421 636432482 /nfs/dbraw/zinc/43/24/82/636432482.db2.gz XBTMUMDDPQVZMX-GJZGRUSLSA-N 0 3 280.412 2.101 20 30 CEEDHN C#C[C@H](N[C@@H]1C[C@@H]1c1cccc(F)c1)[C@H]1CCCO1 ZINC000906588828 636787912 /nfs/dbraw/zinc/78/79/12/636787912.db2.gz TZCGAWRVRNRBIJ-QKPAOTATSA-N 0 3 259.324 2.452 20 30 CEEDHN C#CC[C@H]1CCCN(CC(=O)NCC2CCCCC2)C1 ZINC000829769241 636925493 /nfs/dbraw/zinc/92/54/93/636925493.db2.gz QWYPHLDINWNAPP-INIZCTEOSA-N 0 3 276.424 2.418 20 30 CEEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2)C1 ZINC000829775160 636927977 /nfs/dbraw/zinc/92/79/77/636927977.db2.gz YSBBSLGOBVOQHL-DOTOQJQBSA-N 0 3 284.403 2.427 20 30 CEEDHN C#CC[C@@H]1CCC[N@@H+](Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000829815267 636936999 /nfs/dbraw/zinc/93/69/99/636936999.db2.gz ILUNQWRPKUGLSK-GFCCVEGCSA-N 0 3 271.364 2.295 20 30 CEEDHN C#CC[C@@H]1CCC[N@H+](Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000829815267 636937001 /nfs/dbraw/zinc/93/70/01/636937001.db2.gz ILUNQWRPKUGLSK-GFCCVEGCSA-N 0 3 271.364 2.295 20 30 CEEDHN N#CC[C@@]1(O)CCN(C[C@H](O)c2cccc3ccccc32)C1 ZINC000829998189 636967056 /nfs/dbraw/zinc/96/70/56/636967056.db2.gz JGBVOORUSVFZOD-ZWKOTPCHSA-N 0 3 296.370 2.224 20 30 CEEDHN C#CC1CCN(CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000830345486 637043227 /nfs/dbraw/zinc/04/32/27/637043227.db2.gz FNHLGXSZZREYQW-UHFFFAOYSA-N 0 3 299.370 2.376 20 30 CEEDHN CC1(C#N)CN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000907923313 637167512 /nfs/dbraw/zinc/16/75/12/637167512.db2.gz CRPWJASLTYIYOV-UHFFFAOYSA-N 0 3 282.347 2.276 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(C)ccc1NCC ZINC000908437285 637345033 /nfs/dbraw/zinc/34/50/33/637345033.db2.gz MNVHYTPDZJYHJW-UHFFFAOYSA-N 0 3 287.407 2.112 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCc2cc(OC)ccc21 ZINC000876570697 650335919 /nfs/dbraw/zinc/33/59/19/650335919.db2.gz LZBTWVBKRZEWLP-ZDUSSCGKSA-N 0 3 294.782 2.444 20 30 CEEDHN CC(C)C#CC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000832319867 637544616 /nfs/dbraw/zinc/54/46/16/637544616.db2.gz NAJMCQZUHSLZHU-PBHICJAKSA-N 0 3 272.392 2.453 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1CC(C)C ZINC000876591784 650349162 /nfs/dbraw/zinc/34/91/62/650349162.db2.gz OZXHRENDKNDARZ-VXGBXAGGSA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000876594658 650350654 /nfs/dbraw/zinc/35/06/54/650350654.db2.gz TWLVPBCAWSFNEX-LLVKDONJSA-N 0 3 297.742 2.023 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCCC[C@H]1C ZINC000876618885 650363100 /nfs/dbraw/zinc/36/31/00/650363100.db2.gz IJKHFGKADSCXPW-JLLWLGSASA-N 0 3 258.793 2.399 20 30 CEEDHN C#CCC1(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)CCCCC1 ZINC000834307696 637772104 /nfs/dbraw/zinc/77/21/04/637772104.db2.gz FVPGZOGZEWSAOH-CABCVRRESA-N 0 3 274.408 2.123 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000876631457 650367319 /nfs/dbraw/zinc/36/73/19/650367319.db2.gz CBOXHNCNNOCMAS-QWHCGFSZSA-N 0 3 294.782 2.405 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000876632555 650368069 /nfs/dbraw/zinc/36/80/69/650368069.db2.gz WFAGORYOELZLTJ-QWHCGFSZSA-N 0 3 294.782 2.486 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCCOc2ccccc21 ZINC000876632554 650368410 /nfs/dbraw/zinc/36/84/10/650368410.db2.gz WFAGORYOELZLTJ-OLZOCXBDSA-N 0 3 294.782 2.486 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2ccc(F)cc2)CC1 ZINC000876644597 650373092 /nfs/dbraw/zinc/37/30/92/650373092.db2.gz BAJOCTGJQNILMY-GFCCVEGCSA-N 0 3 282.746 2.401 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(F)cc(F)c1OC ZINC000876648286 650374815 /nfs/dbraw/zinc/37/48/15/650374815.db2.gz PRDVHFPICTWXSG-SECBINFHSA-N 0 3 290.697 2.382 20 30 CEEDHN CCN1CCCN(C(=O)c2cc(C#N)oc2C)[C@@H](C)C1 ZINC000910272238 637967420 /nfs/dbraw/zinc/96/74/20/637967420.db2.gz DKLKXPHFLIQHTC-NSHDSACASA-N 0 3 275.352 2.016 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC2(CCCC2)C1 ZINC000876655962 650380991 /nfs/dbraw/zinc/38/09/91/650380991.db2.gz ABKYSIHDQICMBH-LLVKDONJSA-N 0 3 256.777 2.249 20 30 CEEDHN CCN1CCCN(C(=O)c2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000910272759 637968803 /nfs/dbraw/zinc/96/88/03/637968803.db2.gz GYVUVGUVVUPNLX-AWEZNQCLSA-N 0 3 285.391 2.423 20 30 CEEDHN C#CCOc1ccc([C@@H](C)NC(COC)COC)cc1 ZINC000834894156 637979809 /nfs/dbraw/zinc/97/98/09/637979809.db2.gz ZPKOWXONRXREIA-CYBMUJFWSA-N 0 3 277.364 2.011 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCOc2ccc(F)cc21 ZINC000876658428 650382424 /nfs/dbraw/zinc/38/24/24/650382424.db2.gz WDPXJZIMXQPLPX-NWDGAFQWSA-N 0 3 298.745 2.235 20 30 CEEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000835064351 638045672 /nfs/dbraw/zinc/04/56/72/638045672.db2.gz VTXLBPYAQOJIAE-KBPBESRZSA-N 0 3 288.347 2.458 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCOC[C@H]1c1ccccc1 ZINC000876686821 650399201 /nfs/dbraw/zinc/39/92/01/650399201.db2.gz BBRWTZVFJZIURU-KBPBESRZSA-N 0 3 294.782 2.056 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN1CCC[C@H](CCO)C1 ZINC000876694648 650403316 /nfs/dbraw/zinc/40/33/16/650403316.db2.gz UGUXJAKRDYOFQK-CQSZACIVSA-N 0 3 287.407 2.219 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1ccccn1 ZINC000876726437 650411204 /nfs/dbraw/zinc/41/12/04/650411204.db2.gz GJSXWBONIRRYBH-WCQYABFASA-N 0 3 279.771 2.215 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)c1nc(C)cs1 ZINC000876731236 650413056 /nfs/dbraw/zinc/41/30/56/650413056.db2.gz OUNUEHYXKNYKFQ-VIFPVBQESA-N 0 3 287.816 2.273 20 30 CEEDHN C#CCCCCCCN1CCN(C(C)=O)C[C@H]1C ZINC000876748212 650417673 /nfs/dbraw/zinc/41/76/73/650417673.db2.gz YKMXBLSOBRTJIG-CQSZACIVSA-N 0 3 250.386 2.123 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1nc2ccccc2[nH]1 ZINC000911884382 638454566 /nfs/dbraw/zinc/45/45/66/638454566.db2.gz YFTHDXXMYQLWJR-JTQLQIEISA-N 0 3 258.325 2.185 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(N(C)C(C)=O)cc1 ZINC000911971315 638505076 /nfs/dbraw/zinc/50/50/76/638505076.db2.gz POTULSTXEMGQER-HNNXBMFYSA-N 0 3 289.379 2.291 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1cccc(OC)c1 ZINC000911991379 638511240 /nfs/dbraw/zinc/51/12/40/638511240.db2.gz CTXJPFOEAMSLEQ-HNNXBMFYSA-N 0 3 276.380 2.337 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000876787291 650431108 /nfs/dbraw/zinc/43/11/08/650431108.db2.gz GDANOVRNCPILBT-QWHCGFSZSA-N 0 3 279.771 2.215 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C(=O)OC)ccc1F ZINC000912207162 638606590 /nfs/dbraw/zinc/60/65/90/638606590.db2.gz KPCLLAPPPSPVAI-GFCCVEGCSA-N 0 3 294.326 2.234 20 30 CEEDHN C#C[C@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000836407692 638624523 /nfs/dbraw/zinc/62/45/23/638624523.db2.gz RCRJFUKTLJRXIW-CVEARBPZSA-N 0 3 299.418 2.172 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000836488101 638648455 /nfs/dbraw/zinc/64/84/55/638648455.db2.gz LIEPSJNKPJOEHB-LSDHHAIUSA-N 0 3 279.428 2.067 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C(=O)NCC)cc1 ZINC000912321902 638650951 /nfs/dbraw/zinc/65/09/51/638650951.db2.gz GJXVWLFQLFNOAS-CQSZACIVSA-N 0 3 289.379 2.058 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(NC(=O)OC)c1 ZINC000912486192 638700673 /nfs/dbraw/zinc/70/06/73/638700673.db2.gz YRXQXIYEXBUBTR-ZDUSSCGKSA-N 0 3 291.351 2.487 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc2c1CCCN2 ZINC000876851462 650458825 /nfs/dbraw/zinc/45/88/25/650458825.db2.gz KKJFJPRTAINFCY-ZDUSSCGKSA-N 0 3 293.798 2.131 20 30 CEEDHN CC#CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC000913100267 639201258 /nfs/dbraw/zinc/20/12/58/639201258.db2.gz QJKFFTSDHREVRT-GDBMZVCRSA-N 0 3 270.376 2.037 20 30 CEEDHN C[C@H](CNC(=O)C#CC1CC1)N(C)Cc1ccccc1 ZINC000837408279 639218896 /nfs/dbraw/zinc/21/88/96/639218896.db2.gz CVAZJPVMPJJPQG-CQSZACIVSA-N 0 3 270.376 2.037 20 30 CEEDHN C[C@H](NC(=O)C#CC1CC1)[C@@H](c1ccccc1)N(C)C ZINC000837539715 639272933 /nfs/dbraw/zinc/27/29/33/639272933.db2.gz WGCMJOHWVLTISF-GUYCJALGSA-N 0 3 270.376 2.207 20 30 CEEDHN CC[C@@H](SC)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000156480236 639357581 /nfs/dbraw/zinc/35/75/81/639357581.db2.gz WCSZKVXXJJZSKH-CHWSQXEVSA-N 0 3 290.388 2.153 20 30 CEEDHN 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/nfs/dbraw/zinc/42/03/73/640420373.db2.gz CLUWERRBDOEVKX-KGLIPLIRSA-N 0 3 275.396 2.184 20 30 CEEDHN CCN(CC)c1ccc(CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000843425152 640425880 /nfs/dbraw/zinc/42/58/80/640425880.db2.gz GCDVUWFVAWHZAC-KRWDZBQOSA-N 0 3 287.407 2.383 20 30 CEEDHN N#CC[C@@H](O)CN1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000929834908 640428386 /nfs/dbraw/zinc/42/83/86/640428386.db2.gz QMDFAGVWYMHOTR-ZNMIVQPWSA-N 0 3 292.379 2.222 20 30 CEEDHN N#Cc1ccc(NCCNCc2ccc(F)c(F)c2)nc1 ZINC000915058250 640506467 /nfs/dbraw/zinc/50/64/67/640506467.db2.gz UHTIEGHJNPPRMY-UHFFFAOYSA-N 0 3 288.301 2.433 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)sn2)[C@H]1C ZINC000993261055 640570437 /nfs/dbraw/zinc/57/04/37/640570437.db2.gz RVFCGRXLNHRANZ-CHWSQXEVSA-N 0 3 291.420 2.058 20 30 CEEDHN C#CC[C@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccccc1 ZINC000844313867 640673595 /nfs/dbraw/zinc/67/35/95/640673595.db2.gz WZVDGMHMDLVPHG-CVEARBPZSA-N 0 3 284.359 2.324 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2occc2C)[C@@H]1C 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CEEDHN CC(C)(O)CNN=C1CCCCc2ccc(N)cc21 ZINC000863136576 646651310 /nfs/dbraw/zinc/65/13/10/646651310.db2.gz HPIXCEKZXJGRMG-UHFFFAOYSA-N 0 3 261.369 2.060 20 30 CEEDHN Cc1cc([N-][NH+]=Cc2ccc(N(C)C(C)C)nc2)ccn1 ZINC000863159367 646658311 /nfs/dbraw/zinc/65/83/11/646658311.db2.gz NYUQFUNVCUVEFL-UHFFFAOYSA-N 0 3 283.379 2.498 20 30 CEEDHN CCc1oc(C=NNc2ccnc(C)c2)cc1C(=O)OC ZINC000863159354 646658511 /nfs/dbraw/zinc/65/85/11/646658511.db2.gz NGKPJOWNMXTMNG-UHFFFAOYSA-N 0 3 287.319 2.200 20 30 CEEDHN N#Cc1ccc(CNCCCNc2ncccn2)c(F)c1 ZINC000772929621 646688553 /nfs/dbraw/zinc/68/85/53/646688553.db2.gz MSWZILNEQIZKMT-UHFFFAOYSA-N 0 3 285.326 2.079 20 30 CEEDHN C=CCN1CCN(CN2CCCC3(CC3)CC2)C1=O ZINC000863331250 646705923 /nfs/dbraw/zinc/70/59/23/646705923.db2.gz IXPLNZJIWLODOE-UHFFFAOYSA-N 0 3 263.385 2.134 20 30 CEEDHN C#CCCCCC(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000773433101 646738394 /nfs/dbraw/zinc/73/83/94/646738394.db2.gz YKHYPOAJPGXWED-IYBDPMFKSA-N 0 3 294.439 2.186 20 30 CEEDHN O=C(N[O-])[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000863856625 646836921 /nfs/dbraw/zinc/83/69/21/646836921.db2.gz GIUHXXUNLXWLMT-JKSUJKDBSA-N 0 3 288.391 2.430 20 30 CEEDHN O=C(N[O-])[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000863856625 646836923 /nfs/dbraw/zinc/83/69/23/646836923.db2.gz GIUHXXUNLXWLMT-JKSUJKDBSA-N 0 3 288.391 2.430 20 30 CEEDHN CCOCCON=Cc1ccc2c(c1)CCCN2C ZINC000774416240 646844278 /nfs/dbraw/zinc/84/42/78/646844278.db2.gz AJUIHSZYXHNPQE-UHFFFAOYSA-N 0 3 262.353 2.456 20 30 CEEDHN C#C[C@H](NCCc1cccc(F)c1F)[C@@H]1CCCO1 ZINC000775792851 646993209 /nfs/dbraw/zinc/99/32/09/646993209.db2.gz APGYITVXVONVCA-KBPBESRZSA-N 0 3 265.303 2.278 20 30 CEEDHN C#CCCN1CCN(CCCCC(F)(F)F)CC1 ZINC000776593888 647076713 /nfs/dbraw/zinc/07/67/13/647076713.db2.gz PFNDUEJQGCWLLD-UHFFFAOYSA-N 0 3 262.319 2.360 20 30 CEEDHN C#CCCN1CCN(Cc2ccc(CC)cc2)CC1 ZINC000776593139 647076743 /nfs/dbraw/zinc/07/67/43/647076743.db2.gz RLTGAASETWRNPW-UHFFFAOYSA-N 0 3 256.393 2.390 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)[C@@]2(C#N)CCCOC2)c1 ZINC000864846744 647119855 /nfs/dbraw/zinc/11/98/55/647119855.db2.gz KFQDVBRIZXXFOC-MRXNPFEDSA-N 0 3 287.363 2.007 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CNC[C@@H](O)c1ccccc1 ZINC000865400521 647273898 /nfs/dbraw/zinc/27/38/98/647273898.db2.gz HBLKCEDDQQPGPL-GOSISDBHSA-N 0 3 295.386 2.447 20 30 CEEDHN C=CCOc1cccc(CNC2(C(=O)NC)CCCC2)c1 ZINC000779176388 647294611 /nfs/dbraw/zinc/29/46/11/647294611.db2.gz LYOGKRFWPBZOIQ-UHFFFAOYSA-N 0 3 288.391 2.400 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CNCCOc1cccnc1 ZINC000865463750 647306566 /nfs/dbraw/zinc/30/65/66/647306566.db2.gz NCFNEHOVLKFCMG-UHFFFAOYSA-N 0 3 296.374 2.188 20 30 CEEDHN CN1CCC[C@H]1CNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865467191 647307749 /nfs/dbraw/zinc/30/77/49/647307749.db2.gz WCAHFTBLFBNOCT-JTQLQIEISA-N 0 3 278.287 2.112 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccccc3)C2)nc1 ZINC000780555317 647444065 /nfs/dbraw/zinc/44/40/65/647444065.db2.gz GJEPYCOJSIRBFR-MRXNPFEDSA-N 0 3 278.359 2.322 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccn(C)n3)nc21 ZINC000782599234 647642242 /nfs/dbraw/zinc/64/22/42/647642242.db2.gz DBOGZFVVOROGND-LBPRGKRZSA-N 0 3 293.330 2.024 20 30 CEEDHN Cc1cccc2nc(C(C#N)C(=O)Cc3ccn(C)n3)[nH]c21 ZINC000782599234 647642244 /nfs/dbraw/zinc/64/22/44/647642244.db2.gz DBOGZFVVOROGND-LBPRGKRZSA-N 0 3 293.330 2.024 20 30 CEEDHN C#C[C@H](NC[C@H](O)Cc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000805750712 647751753 /nfs/dbraw/zinc/75/17/53/647751753.db2.gz SIUIDMWLCMIGDK-PMPSAXMXSA-N 0 3 293.794 2.014 20 30 CEEDHN C=CCn1cc(CN[C@@H](C)Cc2cccc(C)c2)nn1 ZINC000866379197 647764831 /nfs/dbraw/zinc/76/48/31/647764831.db2.gz JVENOKKLODCGDU-AWEZNQCLSA-N 0 3 270.380 2.493 20 30 CEEDHN Cc1cc([C@H](C)N[C@@H]2Cc3ccc(C#N)cc3C2)nn1C ZINC000866617694 647844000 /nfs/dbraw/zinc/84/40/00/647844000.db2.gz NRSOTSNPVZVOMC-BLLLJJGKSA-N 0 3 280.375 2.418 20 30 CEEDHN N#CC(C(=O)CC/C=C/c1ccccc1)C(=O)NC1CC1 ZINC000121737362 647939169 /nfs/dbraw/zinc/93/91/69/647939169.db2.gz KQJICMKXGBGAGF-SGJXGLNRSA-N 0 3 282.343 2.467 20 30 CEEDHN COC(C)(C)CC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000786311618 647999829 /nfs/dbraw/zinc/99/98/29/647999829.db2.gz KXPNSLAXECGNQN-ZDUSSCGKSA-N 0 3 288.347 2.458 20 30 CEEDHN C=C(COC(=O)[C@@H]1CCCN1C1CCCC1)C(=O)OCC ZINC000786886444 648053822 /nfs/dbraw/zinc/05/38/22/648053822.db2.gz YXJQRVXLRPSTAV-AWEZNQCLSA-N 0 3 295.379 2.056 20 30 CEEDHN C[C@@H](C#N)OCCN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000805821923 648055042 /nfs/dbraw/zinc/05/50/42/648055042.db2.gz MWSRJXRNWPDVAC-FZMZJTMJSA-N 0 3 282.771 2.282 20 30 CEEDHN C[C@H](C#N)OCCN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000805821924 648055200 /nfs/dbraw/zinc/05/52/00/648055200.db2.gz MWSRJXRNWPDVAC-RISCZKNCSA-N 0 3 282.771 2.282 20 30 CEEDHN CC(C)(C)[C@@H](C#N)OC(=O)C1CCN(C2CC2)CC1 ZINC000788204399 648162560 /nfs/dbraw/zinc/16/25/60/648162560.db2.gz BYDKDDFNHYCSMB-CYBMUJFWSA-N 0 3 264.369 2.342 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1conc1C1CCCC1 ZINC000868581510 648181507 /nfs/dbraw/zinc/18/15/07/648181507.db2.gz HWEQROFODJZJNM-UHFFFAOYSA-N 0 3 289.379 2.017 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cccc2cc(O)ccc21 ZINC000868581947 648181523 /nfs/dbraw/zinc/18/15/23/648181523.db2.gz PBVVKLGLUZRXNZ-UHFFFAOYSA-N 0 3 296.370 2.230 20 30 CEEDHN CCC(=NN[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000788441076 648184533 /nfs/dbraw/zinc/18/45/33/648184533.db2.gz HNGWWWMLEMKDNO-CYBMUJFWSA-N 0 3 261.369 2.245 20 30 CEEDHN COC(=O)CCN1CCC(=NOCc2ccccc2)CC1 ZINC000788709976 648217265 /nfs/dbraw/zinc/21/72/65/648217265.db2.gz SGAFBVDGAGIQFK-UHFFFAOYSA-N 0 3 290.363 2.218 20 30 CEEDHN CCN(C(=O)c1ccc2c(C#N)c[nH]c2c1)[C@H]1CCN(C)C1 ZINC000869237838 648383279 /nfs/dbraw/zinc/38/32/79/648383279.db2.gz BVZYRGOPAQPFPB-AWEZNQCLSA-N 0 3 296.374 2.206 20 30 CEEDHN C#C[C@H](NCc1ccc(-n2ccnc2)cc1C)[C@H]1CCCO1 ZINC000792287994 648635723 /nfs/dbraw/zinc/63/57/23/648635723.db2.gz XZPJJHSTXUHNDG-ZWKOTPCHSA-N 0 3 295.386 2.451 20 30 CEEDHN C[C@@H](COC(=O)c1coc(C#N)c1)N1CCCCC1 ZINC000870466964 648824884 /nfs/dbraw/zinc/82/48/84/648824884.db2.gz XXAXKHQOZYSQMC-NSHDSACASA-N 0 3 262.309 2.182 20 30 CEEDHN Cc1ccn(CN(CC2CC2)CC2CCC2)c(=O)c1C#N ZINC000794711457 648905488 /nfs/dbraw/zinc/90/54/88/648905488.db2.gz SGZIJMHFROASEL-UHFFFAOYSA-N 0 3 285.391 2.498 20 30 CEEDHN Cc1cccc([C@H](C)C(=O)C(C#N)C(=O)NC2CC2)c1 ZINC000124058897 649366070 /nfs/dbraw/zinc/36/60/70/649366070.db2.gz SHXRPBANYRMZBP-SMDDNHRTSA-N 0 3 270.332 2.086 20 30 CEEDHN Cc1cccc([C@@H](C)C(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000124085126 649391203 /nfs/dbraw/zinc/39/12/03/649391203.db2.gz YKKISXBXFORLTL-OCCSQVGLSA-N 0 3 272.348 2.332 20 30 CEEDHN CN1CCC[C@@H]2[C@@H]1CCN2c1nc2ncccc2cc1C#N ZINC000872779774 649486482 /nfs/dbraw/zinc/48/64/82/649486482.db2.gz TYMDVEDEPCVBFU-LSDHHAIUSA-N 0 3 293.374 2.174 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(OC(C)C)CCC2)CC1 ZINC000874436958 649774803 /nfs/dbraw/zinc/77/48/03/649774803.db2.gz ZGTRVVGUVKOXBU-UHFFFAOYSA-N 0 3 280.412 2.101 20 30 CEEDHN C#CC[C@H](NCCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000878362890 651076599 /nfs/dbraw/zinc/07/65/99/651076599.db2.gz KIWLSJHZLGYPFD-HNNXBMFYSA-N 0 3 298.346 2.454 20 30 CEEDHN CC1(C#N)CCN(C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000878389503 651083948 /nfs/dbraw/zinc/08/39/48/651083948.db2.gz KDKIJYCIUUDAPU-CQSZACIVSA-N 0 3 278.396 2.340 20 30 CEEDHN C=CCN(C[C@H]1CC2(CO1)CCOCC2)[C@@H](C)COC ZINC000878889760 651204262 /nfs/dbraw/zinc/20/42/62/651204262.db2.gz HPRNMORSADFUHF-LSDHHAIUSA-N 0 3 283.412 2.095 20 30 CEEDHN C#CCOCCN1CCC(c2ccc(F)cn2)CC1 ZINC000879005890 651226695 /nfs/dbraw/zinc/22/66/95/651226695.db2.gz XGVBLOUZWRINCN-UHFFFAOYSA-N 0 3 262.328 2.050 20 30 CEEDHN C=CC[C@@H](C)N1CCC(F)(F)[C@@H](C(=O)OCC)C1 ZINC000879367553 651293061 /nfs/dbraw/zinc/29/30/61/651293061.db2.gz LFQVZAAOHXXQAV-GHMZBOCLSA-N 0 3 261.312 2.471 20 30 CEEDHN COC(=O)/C(C)=C\CN(C)CCc1cccc(C#N)c1 ZINC000879433800 651303147 /nfs/dbraw/zinc/30/31/47/651303147.db2.gz GBEZARNJQGFWLP-QPEQYQDCSA-N 0 3 272.348 2.152 20 30 CEEDHN C#CCC1(O)CCN(Cc2ccc(OCC)cc2)CC1 ZINC000880478757 651447893 /nfs/dbraw/zinc/44/78/93/651447893.db2.gz KMRLXLLOSQUGCB-UHFFFAOYSA-N 0 3 273.376 2.436 20 30 CEEDHN C[C@@H](N)c1cn(Cc2ccc(C#N)cc2C(F)(F)F)nn1 ZINC000881365804 651698968 /nfs/dbraw/zinc/69/89/68/651698968.db2.gz YSAODVUSEKRKSI-MRVPVSSYSA-N 0 3 295.268 2.237 20 30 CEEDHN C#CC[C@H](CO)NCc1ccccc1OCCCC ZINC000883124334 652370201 /nfs/dbraw/zinc/37/02/01/652370201.db2.gz DLRWPTMRCSOSBW-OAHLLOKOSA-N 0 3 261.365 2.339 20 30 CEEDHN C=CCC[C@H](CO)NCc1c(Cl)nc2ccccn21 ZINC000883138445 652375907 /nfs/dbraw/zinc/37/59/07/652375907.db2.gz CZLWMPYEGKIXIA-LLVKDONJSA-N 0 3 279.771 2.404 20 30 CEEDHN COC[C@@H](NCc1ccc(C#N)cc1F)[C@@H]1CCCOC1 ZINC000883187200 652393798 /nfs/dbraw/zinc/39/37/98/652393798.db2.gz IZZWTPLKQGEGMP-GDBMZVCRSA-N 0 3 292.354 2.229 20 30 CEEDHN C=CCC[C@@H](NCc1ccnc(N(C)C)n1)[C@H]1CCCO1 ZINC000883210566 652401469 /nfs/dbraw/zinc/40/14/69/652401469.db2.gz WCVOKYKNSKZHCT-HUUCEWRRSA-N 0 3 290.411 2.146 20 30 CEEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1cc(C(=O)OC)co1 ZINC000883391339 652452887 /nfs/dbraw/zinc/45/28/87/652452887.db2.gz IKDGQQWDBOAVLF-JQWIXIFHSA-N 0 3 267.325 2.044 20 30 CEEDHN CC(C)CN(CC(C)C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884042976 652653282 /nfs/dbraw/zinc/65/32/82/652653282.db2.gz LQTJLWUIEYYKKJ-ISXOHVOVSA-N 0 3 291.439 2.266 20 30 CEEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1cccc3[nH]ccc31)C2 ZINC000884068097 652693707 /nfs/dbraw/zinc/69/37/07/652693707.db2.gz CSILPEMVTJWRIN-VMBJYNEYSA-N 0 3 294.358 2.246 20 30 CEEDHN CC(C)C[C@H]1CCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)C1 ZINC000884133841 652722649 /nfs/dbraw/zinc/72/26/49/652722649.db2.gz MSNMWACMBSSNDP-GJEMEMOUSA-N 0 3 289.423 2.020 20 30 CEEDHN CC1(C)CCC(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884140898 652724675 /nfs/dbraw/zinc/72/46/75/652724675.db2.gz IBSGJGRENMNDHA-JZLYGMAVSA-N 0 3 289.423 2.211 20 30 CEEDHN C[C@@H]1c2ccccc2CN1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884143473 652726563 /nfs/dbraw/zinc/72/65/63/652726563.db2.gz ISHXPJYBIATLCL-JHSBQLIOSA-N 0 3 295.386 2.229 20 30 CEEDHN CC[C@H]1CCCCCN1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884144205 652727659 /nfs/dbraw/zinc/72/76/59/652727659.db2.gz DWJUOCANQYZVBD-GWUWNPHMSA-N 0 3 289.423 2.307 20 30 CEEDHN CC[C@@H]1CCCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884145202 652727747 /nfs/dbraw/zinc/72/77/47/652727747.db2.gz FBXHHGZSNSNIOS-GJEMEMOUSA-N 0 3 289.423 2.164 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N(C(=O)C2CC3(C2)CNC[C@@H]3C#N)C1 ZINC000884410955 652839898 /nfs/dbraw/zinc/83/98/98/652839898.db2.gz XVXZVJZSZAEERY-XDFMGDNLSA-N 0 3 289.423 2.163 20 30 CEEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000885873714 653061714 /nfs/dbraw/zinc/06/17/14/653061714.db2.gz XMXSXVNURMISKU-INIZCTEOSA-N 0 3 292.423 2.124 20 30 CEEDHN Cc1ccc(N2CCN(C3CCCC3)CC2)nc1C#N ZINC000302606203 721855727 /nfs/dbraw/zinc/85/57/27/721855727.db2.gz DGHOYYJCIWYFSJ-UHFFFAOYSA-N 0 3 270.380 2.326 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccsc2)[C@H]1CC ZINC001087492208 805574874 /nfs/dbraw/zinc/57/48/74/805574874.db2.gz MVRUQCFAEOBNBY-UONOGXRCSA-N 0 3 278.421 2.446 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cnccc2C)[C@H]1CC ZINC001087529078 805678375 /nfs/dbraw/zinc/67/83/75/805678375.db2.gz ORCWNLBMXNJSBS-LSDHHAIUSA-N 0 3 273.380 2.159 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)[C@H]1CC ZINC001087577598 805753786 /nfs/dbraw/zinc/75/37/86/805753786.db2.gz XIQDSJBBDIZOCO-VVLHAWIVSA-N 0 3 299.418 2.340 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2nccc3[nH]ccc32)[C@H]1CC ZINC001087730889 805782778 /nfs/dbraw/zinc/78/27/78/805782778.db2.gz JKPJUJHLGINWJB-LSDHHAIUSA-N 0 3 298.390 2.332 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)[C@H]1CC ZINC001087735542 805782356 /nfs/dbraw/zinc/78/23/56/805782356.db2.gz QZVLHIYNQRUGQL-VVLHAWIVSA-N 0 3 299.418 2.340 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)n[nH]c2C)[C@H]1CC ZINC001087764912 805790175 /nfs/dbraw/zinc/79/01/75/805790175.db2.gz PSRKMNDIKMZXFF-UONOGXRCSA-N 0 3 290.411 2.185 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc3c([nH]2)CCC3)[C@H]1CC ZINC001087792794 805797903 /nfs/dbraw/zinc/79/79/03/805797903.db2.gz ZFTNSBGXBMHVLV-GOEBONIOSA-N 0 3 287.407 2.272 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2[nH]cnc2CC)[C@H]1CC ZINC001087812775 805800723 /nfs/dbraw/zinc/80/07/23/805800723.db2.gz GUTMPCGOPCZPAE-UONOGXRCSA-N 0 3 290.411 2.131 20 30 CEEDHN CC[C@@H](F)CNC[C@@H](CC(C)C)NC(=O)C#CC1CC1 ZINC001271261779 805904557 /nfs/dbraw/zinc/90/45/57/805904557.db2.gz RUKPZRXIDHEKQS-HUUCEWRRSA-N 0 3 282.403 2.268 20 30 CEEDHN CC(C)(O)[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000721871088 806398595 /nfs/dbraw/zinc/39/85/95/806398595.db2.gz BFHSISFEMFXLIU-ZDUSSCGKSA-N 0 3 262.328 2.290 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)C[C@H](C)C(C)C)[C@H](OC)C1 ZINC001212017357 806516345 /nfs/dbraw/zinc/51/63/45/806516345.db2.gz GDHYJHDOQVWBGI-RRFJBIMHSA-N 0 3 282.428 2.060 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)Cc1ccc(Cl)cc1 ZINC001272165439 806567735 /nfs/dbraw/zinc/56/77/35/806567735.db2.gz VTULIRBIGKNECT-UHFFFAOYSA-N 0 3 280.799 2.459 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)CC#Cc1ccccc1 ZINC001272178328 806570001 /nfs/dbraw/zinc/57/00/01/806570001.db2.gz HPTVLKPAGRKHNY-UHFFFAOYSA-N 0 3 284.403 2.395 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)[C@@H](OC)C1CCCCC1 ZINC001272185364 806571707 /nfs/dbraw/zinc/57/17/07/806571707.db2.gz LMKSCNJXKIYWSJ-HNNXBMFYSA-N 0 3 282.428 2.158 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)c(C)cn2)[C@H]1C ZINC001088761319 806707806 /nfs/dbraw/zinc/70/78/06/806707806.db2.gz FBXKCKRKWMNSRR-CABCVRRESA-N 0 3 287.407 2.467 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3csc(C)n3)[C@@H]2C1 ZINC001076170070 806819451 /nfs/dbraw/zinc/81/94/51/806819451.db2.gz OLOQOISARTVRHZ-GXTWGEPZSA-N 0 3 291.420 2.174 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)C3CCC(F)CC3)[C@@H]2C1 ZINC001076209866 806826868 /nfs/dbraw/zinc/82/68/68/806826868.db2.gz JMAKTBSWEDLCSR-OOJKYFRXSA-N 0 3 280.387 2.233 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cc4ccccn4c3)[C@@H]2C1 ZINC001076318414 806837615 /nfs/dbraw/zinc/83/76/15/806837615.db2.gz RWRZVNJSMNRRJI-WMLDXEAASA-N 0 3 295.386 2.272 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3c[nH]cc3C)[C@@H]2C1 ZINC001076566608 806860560 /nfs/dbraw/zinc/86/05/60/806860560.db2.gz LUNJSAQUQUXACX-DZGCQCFKSA-N 0 3 273.380 2.046 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C2CCC(=C)CC2)[C@H]1C ZINC001088838499 806917973 /nfs/dbraw/zinc/91/79/73/806917973.db2.gz MUXZEIBRIVTMPV-ZBFHGGJFSA-N 0 3 274.408 2.335 20 30 CEEDHN C=CCN(C)CCNC(=O)c1ccc2cc(C)cn2c1 ZINC001266280398 802357111 /nfs/dbraw/zinc/35/71/11/802357111.db2.gz DAGHTECJFVVKID-UHFFFAOYSA-N 0 3 271.364 2.095 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2CN(CCOC)C[C@H]2C)CCCC1 ZINC001211492883 802365912 /nfs/dbraw/zinc/36/59/12/802365912.db2.gz NZSHDISSMTXYOD-HUUCEWRRSA-N 0 3 294.439 2.206 20 30 CEEDHN C=CCN(C)CCNC(=O)c1oc(C(F)F)cc1C ZINC001266285309 802371182 /nfs/dbraw/zinc/37/11/82/802371182.db2.gz UVTIIMBRICZYCY-UHFFFAOYSA-N 0 3 272.295 2.373 20 30 CEEDHN C=CCCN1CCN(CCNC(=O)C(C)(CC)CC)CC1 ZINC001266296646 802401355 /nfs/dbraw/zinc/40/13/55/802401355.db2.gz CAUDUXCZMDBDLS-UHFFFAOYSA-N 0 3 295.471 2.123 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)[C@H]1CCC[C@@H]1CC ZINC001266321492 802435558 /nfs/dbraw/zinc/43/55/58/802435558.db2.gz UVLKMHNPOLOXHW-KBPBESRZSA-N 0 3 252.402 2.437 20 30 CEEDHN COCCN1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001209214900 802486571 /nfs/dbraw/zinc/48/65/71/802486571.db2.gz HOCHZWTWEGOQQF-OAHLLOKOSA-N 0 3 260.337 2.048 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)[C@H](F)Cc2ccccc2)C1 ZINC001266360916 802488136 /nfs/dbraw/zinc/48/81/36/802488136.db2.gz FKCUTBNQMYAYJV-HZPDHXFCSA-N 0 3 290.382 2.334 20 30 CEEDHN C=CCN(C)CCNC(=O)[C@@H](C)c1cccc(OC)c1 ZINC001266362398 802490845 /nfs/dbraw/zinc/49/08/45/802490845.db2.gz GYEUEGOENMLVKD-ZDUSSCGKSA-N 0 3 276.380 2.033 20 30 CEEDHN C#CCCCN1CCN(c2nccc3occc32)CC1 ZINC001209265771 802491768 /nfs/dbraw/zinc/49/17/68/802491768.db2.gz AVFDJVPODOCNJH-UHFFFAOYSA-N 0 3 269.348 2.363 20 30 CEEDHN C#CCCCN1CCN(Cc2c(F)cccc2F)CC1 ZINC001209269750 802493499 /nfs/dbraw/zinc/49/34/99/802493499.db2.gz PJHNACIKNSXYCT-UHFFFAOYSA-N 0 3 278.346 2.496 20 30 CEEDHN C=CCN(CC)CCNC(=O)c1cn(CC)nc1C1CC1 ZINC001266392120 802517082 /nfs/dbraw/zinc/51/70/82/802517082.db2.gz CWXIOSZSBQENKN-UHFFFAOYSA-N 0 3 290.411 2.018 20 30 CEEDHN C=CCN(CC)CCNC(=O)c1ccc(F)c(F)c1 ZINC001266394206 802518628 /nfs/dbraw/zinc/51/86/28/802518628.db2.gz KUSPALYXRXHCOS-UHFFFAOYSA-N 0 3 268.307 2.203 20 30 CEEDHN CN1CC[C@H](Nc2ncc3ccccc3c2C#N)C1 ZINC001167270626 802620216 /nfs/dbraw/zinc/62/02/16/802620216.db2.gz ZZEQYWJDOLEDKC-LBPRGKRZSA-N 0 3 252.321 2.222 20 30 CEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCOCC ZINC001266478650 802623542 /nfs/dbraw/zinc/62/35/42/802623542.db2.gz RAGHPZYXDQNNIJ-IYBDPMFKSA-N 0 3 294.439 2.445 20 30 CEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCCOC ZINC001266480968 802625140 /nfs/dbraw/zinc/62/51/40/802625140.db2.gz CLDVEBIPGJTECY-IYBDPMFKSA-N 0 3 294.439 2.445 20 30 CEEDHN C#CCN(CCC)CCNC(=O)[C@H](C)C(C)(C)C ZINC001266565367 802721175 /nfs/dbraw/zinc/72/11/75/802721175.db2.gz VLEDVZXBKKLPSD-ZDUSSCGKSA-N 0 3 252.402 2.130 20 30 CEEDHN C=CCC(C)(C)C(=O)NCCCNCc1cc(C)no1 ZINC001167359860 802735696 /nfs/dbraw/zinc/73/56/96/802735696.db2.gz JRJNXTVIHFKTAO-UHFFFAOYSA-N 0 3 279.384 2.181 20 30 CEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)CCC(F)F ZINC001266777146 802895064 /nfs/dbraw/zinc/89/50/64/802895064.db2.gz SBIIIFQOXUCWHQ-UHFFFAOYSA-N 0 3 295.333 2.152 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)C3CCCC3)C[C@H]21 ZINC001041886602 802911600 /nfs/dbraw/zinc/91/16/00/802911600.db2.gz ZBMUYFPICMMLHN-DZGCQCFKSA-N 0 3 262.397 2.285 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1oc(CC)nc1C ZINC001170196756 812343604 /nfs/dbraw/zinc/34/36/04/812343604.db2.gz QCGNOKMYVIQKQD-UHFFFAOYSA-N 0 3 285.775 2.007 20 30 CEEDHN N#Cc1csc(CN[C@H](C2CC2)[C@H]2CCCOC2)n1 ZINC000723951203 802972250 /nfs/dbraw/zinc/97/22/50/802972250.db2.gz ZZUGTALBVZWPNK-SMDDNHRTSA-N 0 3 277.393 2.310 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)C(=C)C)C1 ZINC001266895407 802975882 /nfs/dbraw/zinc/97/58/82/802975882.db2.gz OAJNAAYPEWEKDA-HUUCEWRRSA-N 0 3 276.424 2.439 20 30 CEEDHN COCC#CCN[C@H](C)CNC(=O)C1(C)CCCCCC1 ZINC001266945045 803013827 /nfs/dbraw/zinc/01/38/27/803013827.db2.gz XOFRKQSCGMCCQM-OAHLLOKOSA-N 0 3 294.439 2.091 20 30 CEEDHN C#CCNCCN(C)C(=O)[C@H](C)CCC(C)(C)C ZINC001266980356 803034026 /nfs/dbraw/zinc/03/40/26/803034026.db2.gz SPMXIRYBFDHTEN-CYBMUJFWSA-N 0 3 252.402 2.130 20 30 CEEDHN CC(C)(C)CCN1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038140074 803149963 /nfs/dbraw/zinc/14/99/63/803149963.db2.gz NAJDTYFCVZRSTD-ZDUSSCGKSA-N 0 3 288.395 2.127 20 30 CEEDHN C=CCC(C)(C)C(=O)NCC[C@H](C)NCc1nccn1C ZINC001267145138 803161201 /nfs/dbraw/zinc/16/12/01/803161201.db2.gz AIKGWOMBHSOPNB-ZDUSSCGKSA-N 0 3 292.427 2.007 20 30 CEEDHN C#CCCN(C)CCNC(=O)C1(Cc2ccccc2)CCC1 ZINC001267198866 803224093 /nfs/dbraw/zinc/22/40/93/803224093.db2.gz BKZQAJHMYUMPEA-UHFFFAOYSA-N 0 3 298.430 2.471 20 30 CEEDHN C=CCN(C)CCNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001267203074 803228230 /nfs/dbraw/zinc/22/82/30/803228230.db2.gz MUMBCQRDUBKLHC-QWHCGFSZSA-N 0 3 264.394 2.086 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001267203629 803229772 /nfs/dbraw/zinc/22/97/72/803229772.db2.gz HHHFTQGSKWSHLW-OAHLLOKOSA-N 0 3 292.427 2.094 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(CCCC)C[C@H]1OC ZINC001213378512 803250259 /nfs/dbraw/zinc/25/02/59/803250259.db2.gz UHHXTMHIIKVMCA-IIAWOOMASA-N 0 3 282.428 2.204 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)C[C@H]2CC=CCC2)C1 ZINC001267299278 803343838 /nfs/dbraw/zinc/34/38/38/803343838.db2.gz WUECGQHCFVWHMX-HOTGVXAUSA-N 0 3 274.408 2.194 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001038271830 803349474 /nfs/dbraw/zinc/34/94/74/803349474.db2.gz FRNPWJOHROXHGD-IXDOHACOSA-N 0 3 299.418 2.342 20 30 CEEDHN C#CCN(CCC)CCNC(=O)C[C@H]1CCC[C@H](OC)C1 ZINC001267314019 803359064 /nfs/dbraw/zinc/35/90/64/803359064.db2.gz FWRRAXRXNOEIES-HOTGVXAUSA-N 0 3 294.439 2.043 20 30 CEEDHN N#Cc1ccc(CCNc2ccc3c(n2)OCCNC3)cc1 ZINC001167676697 803435286 /nfs/dbraw/zinc/43/52/86/803435286.db2.gz FBNIWNWPLZSHMY-UHFFFAOYSA-N 0 3 294.358 2.090 20 30 CEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CCC(F)F)C1 ZINC001267473163 803498491 /nfs/dbraw/zinc/49/84/91/803498491.db2.gz AXUCIUPJCFMAQQ-ZDUSSCGKSA-N 0 3 286.366 2.368 20 30 CEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)C=C3CCC3)C(C)(C)[C@H]21 ZINC001087279700 803501370 /nfs/dbraw/zinc/50/13/70/803501370.db2.gz CSTQLJFINBBKDI-OIISXLGYSA-N 0 3 286.419 2.335 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H]3OCC[C@@H]3C2)cc1F ZINC000724831845 803518854 /nfs/dbraw/zinc/51/88/54/803518854.db2.gz SRVJXSPDHOGZAK-UKRRQHHQSA-N 0 3 260.312 2.308 20 30 CEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3conc3C)C[C@@H]21 ZINC001042214104 803524460 /nfs/dbraw/zinc/52/44/60/803524460.db2.gz OKIGXSAZOSUTJF-ZFWWWQNUSA-N 0 3 289.379 2.096 20 30 CEEDHN N#Cc1ccnc(-n2nc(CN)c3ccccc32)c1Cl ZINC001167697200 803570623 /nfs/dbraw/zinc/57/06/23/803570623.db2.gz PEVFQENMCZQBES-UHFFFAOYSA-N 0 3 283.722 2.404 20 30 CEEDHN N#Cc1ccc(-n2nc(CN)c3ccccc32)c([N+](=O)[O-])c1 ZINC001167698170 803573741 /nfs/dbraw/zinc/57/37/41/803573741.db2.gz PBDIJXQQTPLDEK-UHFFFAOYSA-N 0 3 293.286 2.264 20 30 CEEDHN C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001267624910 803630176 /nfs/dbraw/zinc/63/01/76/803630176.db2.gz FFNAWAPDVFTVCR-AWEZNQCLSA-N 0 3 288.391 2.362 20 30 CEEDHN C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001267624910 803630178 /nfs/dbraw/zinc/63/01/78/803630178.db2.gz FFNAWAPDVFTVCR-AWEZNQCLSA-N 0 3 288.391 2.362 20 30 CEEDHN C=CCOCCN1CCC[C@H](NC(=O)CC(C)(C)C=C)C1 ZINC001267628076 803632038 /nfs/dbraw/zinc/63/20/38/803632038.db2.gz OBGFFHSSPYDOJL-HNNXBMFYSA-N 0 3 294.439 2.372 20 30 CEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc(C)oc3C)[C@@H]2C1 ZINC001075539005 803667398 /nfs/dbraw/zinc/66/73/98/803667398.db2.gz ARPRQGOQJYZYIK-GOEBONIOSA-N 0 3 286.375 2.066 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H](C)n2cccc2)C1 ZINC001267732646 803682056 /nfs/dbraw/zinc/68/20/56/803682056.db2.gz YDPGLWFDLBASRL-CABCVRRESA-N 0 3 275.396 2.206 20 30 CEEDHN C=C(C)CCC(=O)N(C)[C@@H]1CCN(CC(=C)C)C1 ZINC001267764712 803718606 /nfs/dbraw/zinc/71/86/06/803718606.db2.gz XXPUNCDGCSLDHK-CQSZACIVSA-N 0 3 250.386 2.452 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](CC)NCc1ccnn1C ZINC001267818700 803754170 /nfs/dbraw/zinc/75/41/70/803754170.db2.gz MKEUGIJXNHKNNM-BBRMVZONSA-N 0 3 292.427 2.007 20 30 CEEDHN CC(=O)N1CCC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001027255686 803998264 /nfs/dbraw/zinc/99/82/64/803998264.db2.gz LPMHPBLHSMFFIG-MRXNPFEDSA-N 0 3 271.364 2.001 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)C2CCCC2)C1 ZINC001027647883 804176163 /nfs/dbraw/zinc/17/61/63/804176163.db2.gz ROAVJJPTYVTGJJ-ZBFHGGJFSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cccc(F)c1 ZINC001027735556 804228484 /nfs/dbraw/zinc/22/84/84/804228484.db2.gz UHHKVGAGZONJNM-OAHLLOKOSA-N 0 3 274.339 2.043 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc(C)n1 ZINC001027762356 804244004 /nfs/dbraw/zinc/24/40/04/804244004.db2.gz MTMOYTLCHRWUTJ-CQSZACIVSA-N 0 3 273.380 2.160 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3c(C)coc3C)C2)C1 ZINC001041247712 804260182 /nfs/dbraw/zinc/26/01/82/804260182.db2.gz QOOFSUJAMULCSB-KRWDZBQOSA-N 0 3 286.375 2.068 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001027922715 804344370 /nfs/dbraw/zinc/34/43/70/804344370.db2.gz HBZPFXWPWXDMGS-NWDGAFQWSA-N 0 3 272.339 2.188 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001027948332 804358987 /nfs/dbraw/zinc/35/89/87/804358987.db2.gz GDZMCAPLUSTERO-QGZVFWFLSA-N 0 3 299.418 2.252 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(COC)c1 ZINC001028005283 804389800 /nfs/dbraw/zinc/38/98/00/804389800.db2.gz PFOWGCVNKVOGQC-MRXNPFEDSA-N 0 3 288.391 2.213 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccn2ccnc2c1 ZINC001028022548 804397733 /nfs/dbraw/zinc/39/77/33/804397733.db2.gz KYSQZDJRRWFJGF-OAHLLOKOSA-N 0 3 298.390 2.105 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)cn2ccnc12 ZINC001028046197 804411882 /nfs/dbraw/zinc/41/18/82/804411882.db2.gz AVIOHRBKWULPMO-CQSZACIVSA-N 0 3 298.390 2.023 20 30 CEEDHN C#CC[C@@H]1CCCN(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC001118494972 815019822 /nfs/dbraw/zinc/01/98/22/815019822.db2.gz ODIHXZKDLQNONM-ZNMIVQPWSA-N 0 3 289.423 2.057 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001028110682 804469096 /nfs/dbraw/zinc/46/90/96/804469096.db2.gz TXQXUOKMNWVQFT-GDBMZVCRSA-N 0 3 270.376 2.093 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001028116146 804474636 /nfs/dbraw/zinc/47/46/36/804474636.db2.gz BSUYGBFTDVPOPP-JXQTWKCFSA-N 0 3 268.376 2.281 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1occc1Cl ZINC001028119265 804476425 /nfs/dbraw/zinc/47/64/25/804476425.db2.gz NBYQEOLNCHDXIM-LLVKDONJSA-N 0 3 280.755 2.151 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc2ccccn2c1 ZINC001028177790 804516368 /nfs/dbraw/zinc/51/63/68/804516368.db2.gz IYSMVXGUDMGYQX-INIZCTEOSA-N 0 3 283.375 2.320 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](NCCF)C(C)C ZINC001268216885 804548815 /nfs/dbraw/zinc/54/88/15/804548815.db2.gz PBUYZLCYZPFUSH-JSGCOSHPSA-N 0 3 258.381 2.289 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C(CC)CC)C1 ZINC001111605842 807019724 /nfs/dbraw/zinc/01/97/24/807019724.db2.gz DADRCJGEXPHJLL-RDJZCZTQSA-N 0 3 276.424 2.417 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)CCCC1CCOCC1 ZINC001268238729 804566527 /nfs/dbraw/zinc/56/65/27/804566527.db2.gz KLLIAZAQPNTJSW-UHFFFAOYSA-N 0 3 282.428 2.160 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1scnc1C(C)C ZINC001268252907 804576021 /nfs/dbraw/zinc/57/60/21/804576021.db2.gz GTNQTDIPPGEMKZ-UHFFFAOYSA-N 0 3 281.425 2.456 20 30 CEEDHN C/C=C(\C)C(=O)N(CC)CCNCc1cccc(C#N)c1 ZINC001268442409 804673649 /nfs/dbraw/zinc/67/36/49/804673649.db2.gz TWBGVOOJQHYDMJ-LNKIKWGQSA-N 0 3 285.391 2.463 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2cscc2C)C1 ZINC001028469532 804785372 /nfs/dbraw/zinc/78/53/72/804785372.db2.gz RWDOKUFPSVIAQS-CYBMUJFWSA-N 0 3 276.405 2.132 20 30 CEEDHN C=CCCC(=O)NC/C=C\CNCc1sc(C)nc1C ZINC001268524725 804804966 /nfs/dbraw/zinc/80/49/66/804804966.db2.gz PSSLUZIRUFVHOG-SREVYHEPSA-N 0 3 293.436 2.488 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc[nH]c3C)[C@@H]2C1 ZINC001075663176 804865869 /nfs/dbraw/zinc/86/58/69/804865869.db2.gz QSPQDBMYLKKEOE-DZGCQCFKSA-N 0 3 273.380 2.046 20 30 CEEDHN CC#CCNC/C=C/CNC(=O)c1ccc2cc[nH]c2c1 ZINC001268598421 804886541 /nfs/dbraw/zinc/88/65/41/804886541.db2.gz QFRBBGHMHPVFQC-SNAWJCMRSA-N 0 3 281.359 2.067 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)C(C)=C2CCCC2)[C@@H](O)C1 ZINC001083400191 804888222 /nfs/dbraw/zinc/88/82/22/804888222.db2.gz CKFFKEBCHSBMJU-CVEARBPZSA-N 0 3 292.423 2.004 20 30 CEEDHN CCC(=O)N1C[C@H](NCC#Cc2ccccc2)C(C)(C)C1 ZINC001284260594 804950612 /nfs/dbraw/zinc/95/06/12/804950612.db2.gz JDELQKCEYJDAJK-INIZCTEOSA-N 0 3 284.403 2.275 20 30 CEEDHN C=CCN(C)C[C@H](C)NC(=O)C1(C(F)(F)F)CCC1 ZINC001268735131 804951571 /nfs/dbraw/zinc/95/15/71/804951571.db2.gz FUWFUYXSALLZTH-JTQLQIEISA-N 0 3 278.318 2.342 20 30 CEEDHN C=CCN(C)C[C@@H](C)NC(=O)Cc1ccc(OCC)cc1 ZINC001268758221 804960891 /nfs/dbraw/zinc/96/08/91/804960891.db2.gz XAEPMXPVVCQGPL-CQSZACIVSA-N 0 3 290.407 2.250 20 30 CEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H](C)Cc1ccccc1 ZINC001268757071 804962766 /nfs/dbraw/zinc/96/27/66/804962766.db2.gz QAWRCWPWYUYKCN-LSDHHAIUSA-N 0 3 274.408 2.488 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C(F)=C(C)C)[C@@H]2C1 ZINC001075680904 804981802 /nfs/dbraw/zinc/98/18/02/804981802.db2.gz NFWQEYQDKZVTDP-QWHCGFSZSA-N 0 3 266.360 2.359 20 30 CEEDHN CCC#CC(=O)N1CCC[C@@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001268951644 805007766 /nfs/dbraw/zinc/00/77/66/805007766.db2.gz YWQFODGCJLPOOZ-SFHVURJKSA-N 0 3 299.418 2.243 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2c(C)oc(C)c2C)C1 ZINC001028676337 805099603 /nfs/dbraw/zinc/09/96/03/805099603.db2.gz MNGKOENEBLLRCK-HNNXBMFYSA-N 0 3 288.391 2.280 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(-c3ccco3)o2)C1 ZINC001028681044 805109843 /nfs/dbraw/zinc/10/98/43/805109843.db2.gz NTOGDTPJCJHVMI-ZDUSSCGKSA-N 0 3 298.342 2.225 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)C(C)C)C1 ZINC001269281615 805112871 /nfs/dbraw/zinc/11/28/71/805112871.db2.gz STGCPPJGMXIKIE-ZIAGYGMSSA-N 0 3 252.402 2.387 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001028707898 805142317 /nfs/dbraw/zinc/14/23/17/805142317.db2.gz ZYYOSZGFDNICID-VQHPVUNQSA-N 0 3 288.435 2.274 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)/C(C)=C/CC)C1 ZINC001149303559 805149371 /nfs/dbraw/zinc/14/93/71/805149371.db2.gz XAZBCLFVFYXZQC-LULHVWEPSA-N 0 3 280.412 2.126 20 30 CEEDHN CC#CCNC1(CNC(=O)c2cccc3oc(C)nc32)CC1 ZINC001269544665 805193675 /nfs/dbraw/zinc/19/36/75/805193675.db2.gz NVVQGRZJQAWMLU-UHFFFAOYSA-N 0 3 297.358 2.012 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)C2CC3(CCC3)C2)C1 ZINC001028743614 805198973 /nfs/dbraw/zinc/19/89/73/805198973.db2.gz VTBAQCZQFBPVIZ-CQSZACIVSA-N 0 3 274.408 2.028 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc[nH]c2C(C)C)C1 ZINC001028756755 805212997 /nfs/dbraw/zinc/21/29/97/805212997.db2.gz NMFHODPEOACUNQ-AWEZNQCLSA-N 0 3 287.407 2.213 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001028787623 805254329 /nfs/dbraw/zinc/25/43/29/805254329.db2.gz FIABVGILBOIBAP-HUUCEWRRSA-N 0 3 276.424 2.274 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2cccc(F)c2Cl)C1 ZINC001028831224 805287690 /nfs/dbraw/zinc/28/76/90/805287690.db2.gz NXAVLJOENUWNKY-LLVKDONJSA-N 0 3 294.757 2.164 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3[nH]ccc3C)[C@@H]2C1 ZINC001075748318 805388786 /nfs/dbraw/zinc/38/87/86/805388786.db2.gz YUYPUFCSLKJLGE-UONOGXRCSA-N 0 3 273.380 2.046 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001029007397 805428075 /nfs/dbraw/zinc/42/80/75/805428075.db2.gz YRUAARIUJHCRLP-AWEZNQCLSA-N 0 3 282.387 2.249 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CCC(F)F)C2 ZINC001270512288 805455151 /nfs/dbraw/zinc/45/51/51/805455151.db2.gz HQPHPXSMIYKBBG-INIZCTEOSA-N 0 3 298.377 2.370 20 30 CEEDHN CC(=O)N1CCC([C@@H](C)NCc2ccccc2C#N)CC1 ZINC001029032313 805456699 /nfs/dbraw/zinc/45/66/99/805456699.db2.gz OIUGQTVFTUKCJN-CYBMUJFWSA-N 0 3 285.391 2.295 20 30 CEEDHN C=CCOCCN1CC[C@@](C)(NC(=O)CCC(C)C)C1 ZINC001270537853 805463542 /nfs/dbraw/zinc/46/35/42/805463542.db2.gz KRGWOAZXFOSWPB-MRXNPFEDSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCOCCN1CC[C@](C)(NC(=O)/C=C\C(C)(C)C)C1 ZINC001270558998 805468173 /nfs/dbraw/zinc/46/81/73/805468173.db2.gz UKKSZXLIQHFMHW-QWPQOLDESA-N 0 3 294.439 2.372 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)/C=C\C(C)(C)C)C1 ZINC001270557381 805468651 /nfs/dbraw/zinc/46/86/51/805468651.db2.gz KIVUFKLIHIKBIN-ZPIQOJFGSA-N 0 3 250.386 2.355 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)/C=C\C(C)(C)C)C1 ZINC001270557379 805469485 /nfs/dbraw/zinc/46/94/85/805469485.db2.gz KIVUFKLIHIKBIN-LZNQSLFOSA-N 0 3 250.386 2.355 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](C)C2CC2)C1 ZINC001270565729 805470015 /nfs/dbraw/zinc/47/00/15/805470015.db2.gz FWUKKMHKSPMCGB-DOMZBBRYSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2cccnc2C)C1 ZINC001270623793 805492205 /nfs/dbraw/zinc/49/22/05/805492205.db2.gz KJRIVWGEIOYYJS-KRWDZBQOSA-N 0 3 287.407 2.089 20 30 CEEDHN C#CCCCC(=O)NCC1(NCc2ccccn2)CCCC1 ZINC001270736375 805541604 /nfs/dbraw/zinc/54/16/04/805541604.db2.gz MKFGQRGTQCHENF-UHFFFAOYSA-N 0 3 299.418 2.404 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C2CCCC2)[C@H]1CC ZINC001087482910 805564059 /nfs/dbraw/zinc/56/40/59/805564059.db2.gz GGUILLLXJAMROI-UONOGXRCSA-N 0 3 250.386 2.332 20 30 CEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3ccsc3C)[C@@H]2C1 ZINC001075771893 805571233 /nfs/dbraw/zinc/57/12/33/805571233.db2.gz JLMXTQKDRHYEPT-DZGCQCFKSA-N 0 3 288.416 2.226 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2[nH]nc3ccccc32)[C@H]1C ZINC001089017522 807312837 /nfs/dbraw/zinc/31/28/37/807312837.db2.gz JHBRMCKUEZTFEJ-OCCSQVGLSA-N 0 3 298.390 2.332 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@@H]12 ZINC000992163737 807386421 /nfs/dbraw/zinc/38/64/21/807386421.db2.gz WOTWINJEUZXDNI-KCYZZUKISA-N 0 3 274.408 2.169 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(CC)on3)CCC[C@H]12 ZINC000992422465 807508777 /nfs/dbraw/zinc/50/87/77/807508777.db2.gz OFIXWKRNFLKFBM-HOCLYGCPSA-N 0 3 289.379 2.150 20 30 CEEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(C)o1)CC2 ZINC001272587135 807685203 /nfs/dbraw/zinc/68/52/03/807685203.db2.gz KITOXEYUJKHGJT-HNNXBMFYSA-N 0 3 288.391 2.492 20 30 CEEDHN C#CCN(C(=O)N[C@H]1CCC[C@@H](F)C1)C1CCN(C)CC1 ZINC001119619136 815141182 /nfs/dbraw/zinc/14/11/82/815141182.db2.gz WSHLLKVYFPYXET-KGLIPLIRSA-N 0 3 295.402 2.006 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cnccc2C)CC(C)(C)C1 ZINC001089350142 807852103 /nfs/dbraw/zinc/85/21/03/807852103.db2.gz FYAAXWSNPOKNLT-HNNXBMFYSA-N 0 3 299.418 2.244 20 30 CEEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2coc(CC)n2)C1 ZINC001007161494 807926704 /nfs/dbraw/zinc/92/67/04/807926704.db2.gz ORHRYJFDRKILQO-CYBMUJFWSA-N 0 3 291.395 2.397 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2(C3CC3)CC2)CC(C)(C)C1 ZINC001089418239 807963667 /nfs/dbraw/zinc/96/36/67/807963667.db2.gz MAZPCDZRYGFTHM-HNNXBMFYSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2CC3(CC3)C2)CC(C)(C)C1 ZINC001089486306 808008363 /nfs/dbraw/zinc/00/83/63/808008363.db2.gz XIBWGUXDNYXZJU-HNNXBMFYSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1CC(CNC(=O)c2sc(C)cc2C)C1 ZINC001031699965 808061519 /nfs/dbraw/zinc/06/15/19/808061519.db2.gz DVRWDGGUTUGJCE-UHFFFAOYSA-N 0 3 276.405 2.050 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1=COCCC1 ZINC001089612735 808072117 /nfs/dbraw/zinc/07/21/17/808072117.db2.gz JJKFPIUVBBCPKE-OAHLLOKOSA-N 0 3 292.423 2.474 20 30 CEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)[C@H](F)CC)C2)CC1 ZINC001047251279 808083717 /nfs/dbraw/zinc/08/37/17/808083717.db2.gz HWHCIXUVBODJHC-JKSUJKDBSA-N 0 3 294.414 2.318 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2c(F)ccc(F)c2F)C1 ZINC001031939128 808209702 /nfs/dbraw/zinc/20/97/02/808209702.db2.gz UTHVDUGONHTYDH-UHFFFAOYSA-N 0 3 298.308 2.342 20 30 CEEDHN C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001038074951 808238581 /nfs/dbraw/zinc/23/85/81/808238581.db2.gz RHHQRQPZWSWTDJ-CYBMUJFWSA-N 0 3 274.364 2.163 20 30 CEEDHN C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001038074951 808238584 /nfs/dbraw/zinc/23/85/84/808238584.db2.gz RHHQRQPZWSWTDJ-CYBMUJFWSA-N 0 3 274.364 2.163 20 30 CEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C[C@H](C)SC ZINC001272731029 808278379 /nfs/dbraw/zinc/27/83/79/808278379.db2.gz XLKDOVMMNHEVNJ-MNOVXSKESA-N 0 3 278.849 2.365 20 30 CEEDHN C#CCCN1CC(CNC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001032170413 808315593 /nfs/dbraw/zinc/31/55/93/808315593.db2.gz AICYIOBTGRWEFI-UHFFFAOYSA-N 0 3 296.414 2.250 20 30 CEEDHN C#CCCCC(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107383857 808430258 /nfs/dbraw/zinc/43/02/58/808430258.db2.gz IWYNCAOQLDOFEV-GDBMZVCRSA-N 0 3 280.387 2.120 20 30 CEEDHN C=CCCC(=O)N[C@H]1CN(CC=C)CC2(CCOCC2)C1 ZINC001099569801 808474879 /nfs/dbraw/zinc/47/48/79/808474879.db2.gz GTKSZZPYTMCWLJ-OAHLLOKOSA-N 0 3 292.423 2.126 20 30 CEEDHN CC(C)C#CC(=O)N1CCC[C@H]([C@@H]2CCCN2CCF)C1 ZINC001120373838 815217495 /nfs/dbraw/zinc/21/74/95/815217495.db2.gz SATIDWUQQDSMHR-HOTGVXAUSA-N 0 3 294.414 2.318 20 30 CEEDHN O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001032397220 808573335 /nfs/dbraw/zinc/57/33/35/808573335.db2.gz OVLARYIDTAALKS-IRXDYDNUSA-N 0 3 298.430 2.265 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c(C)cncc1C ZINC001038521932 808665855 /nfs/dbraw/zinc/66/58/55/808665855.db2.gz ZOEOIXNHNYNMEJ-OAHLLOKOSA-N 0 3 287.407 2.469 20 30 CEEDHN C#C[C@@H](C)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC001120493130 815228793 /nfs/dbraw/zinc/22/87/93/815228793.db2.gz SCPDYPPLCMMUJV-ZYHUDNBSSA-N 0 3 287.281 2.056 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)cc1 ZINC001032748201 808829662 /nfs/dbraw/zinc/82/96/62/808829662.db2.gz CKVYRXPDGPYKJL-GJZGRUSLSA-N 0 3 286.375 2.170 20 30 CEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(O)c1 ZINC001272899427 808853199 /nfs/dbraw/zinc/85/31/99/808853199.db2.gz IOFVBTWSNMXJMC-HZPDHXFCSA-N 0 3 286.375 2.144 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cccc(N(C)C)c1 ZINC001171940768 815256787 /nfs/dbraw/zinc/25/67/87/815256787.db2.gz JFLHJYVBTGJPAQ-UHFFFAOYSA-N 0 3 295.814 2.215 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CC2CCC2)C1 ZINC001032972889 809131534 /nfs/dbraw/zinc/13/15/34/809131534.db2.gz HPNRBMGPGPZWOV-AWEZNQCLSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2CC(F)(F)C2)C1 ZINC001032991957 809141371 /nfs/dbraw/zinc/14/13/71/809141371.db2.gz GZPMLXACLGGTNS-LBPRGKRZSA-N 0 3 272.339 2.141 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c(C)coc2C)C1 ZINC001033046865 809159031 /nfs/dbraw/zinc/15/90/31/809159031.db2.gz DOSAUANERINLSC-CQSZACIVSA-N 0 3 274.364 2.066 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc[nH]c2CC)C1 ZINC001033054529 809160977 /nfs/dbraw/zinc/16/09/77/809160977.db2.gz QYAWLMCSPQNHKY-CYBMUJFWSA-N 0 3 275.396 2.300 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(CC)ccn2)C1 ZINC001033103168 809178749 /nfs/dbraw/zinc/17/87/49/809178749.db2.gz NVYHTPROQPHVLF-OAHLLOKOSA-N 0 3 287.407 2.366 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@H]2C=CCCC2)C1 ZINC001033181887 809226155 /nfs/dbraw/zinc/22/61/55/809226155.db2.gz KFDCOZZOBIXJKM-JKSUJKDBSA-N 0 3 274.408 2.289 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c[nH]nc2CCC)C1 ZINC001033213173 809236579 /nfs/dbraw/zinc/23/65/79/809236579.db2.gz HVBAHWYHISQBAR-CYBMUJFWSA-N 0 3 290.411 2.085 20 30 CEEDHN CC#CCNC1(CNC(=O)c2cc(F)ccc2C)CCC1 ZINC001273129634 809264423 /nfs/dbraw/zinc/26/44/23/809264423.db2.gz RKVYKLMEPNADEN-UHFFFAOYSA-N 0 3 288.366 2.400 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@]2(C)C=CCC2)C1 ZINC001033337139 809276172 /nfs/dbraw/zinc/27/61/72/809276172.db2.gz GIEIFLVZWCKPQQ-GOEBONIOSA-N 0 3 262.397 2.452 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccoc2C2CC2)C1 ZINC001033363652 809281412 /nfs/dbraw/zinc/28/14/12/809281412.db2.gz KPICQFJEQFWSFJ-CQSZACIVSA-N 0 3 286.375 2.327 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)C2CCC(F)CC2)C1 ZINC001033382370 809289763 /nfs/dbraw/zinc/28/97/63/809289763.db2.gz CXPKIHBGDYBUCT-NRXISQOPSA-N 0 3 280.387 2.071 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(C)cc2F)C1 ZINC001033447664 809305922 /nfs/dbraw/zinc/30/59/22/809305922.db2.gz YUSDCHFKWAYRFM-AWEZNQCLSA-N 0 3 288.366 2.304 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnn(C(C)C)c2)C1 ZINC001033576306 809344270 /nfs/dbraw/zinc/34/42/70/809344270.db2.gz SCRVVSIIDXPXFS-HNNXBMFYSA-N 0 3 290.411 2.186 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccccc2)C1 ZINC001033590352 809350623 /nfs/dbraw/zinc/35/06/23/809350623.db2.gz RSJOKUKHYVXHOO-RDJZCZTQSA-N 0 3 284.403 2.346 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001033599418 809353277 /nfs/dbraw/zinc/35/32/77/809353277.db2.gz PVRMUEGAOSBDKU-BZUAXINKSA-N 0 3 276.424 2.369 20 30 CEEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2c[nH]c3ccccc23)C1 ZINC001033602581 809355381 /nfs/dbraw/zinc/35/53/81/809355381.db2.gz BVDBOZJZUXGGMI-HNNXBMFYSA-N 0 3 297.402 2.429 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccccc2)C1 ZINC001033733630 809397089 /nfs/dbraw/zinc/39/70/89/809397089.db2.gz FAPVSFOMSMINGE-INIZCTEOSA-N 0 3 270.376 2.246 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(C)n2C)C1 ZINC001033756269 809406660 /nfs/dbraw/zinc/40/66/60/809406660.db2.gz OZXFLTBVEYLEKP-OAHLLOKOSA-N 0 3 289.423 2.446 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCCO2)C1 ZINC001033792434 809420016 /nfs/dbraw/zinc/42/00/16/809420016.db2.gz PMHQYRZFOJARKL-CABCVRRESA-N 0 3 280.412 2.054 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(CC)ccn2)C1 ZINC001033852479 809434303 /nfs/dbraw/zinc/43/43/03/809434303.db2.gz WWOBWQHVLZOLDM-MRXNPFEDSA-N 0 3 299.418 2.204 20 30 CEEDHN CC(=O)N[C@H]1CCCCN(Cc2ccc(C#N)cc2)C1 ZINC001034064024 809495418 /nfs/dbraw/zinc/49/54/18/809495418.db2.gz GTNJEVVJKNPYRZ-INIZCTEOSA-N 0 3 271.364 2.049 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C)on2)C1 ZINC001034086456 809506067 /nfs/dbraw/zinc/50/60/67/809506067.db2.gz BSUQHKHWGXXWNA-ZDUSSCGKSA-N 0 3 277.368 2.143 20 30 CEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2csc(C)n2)C1 ZINC001034363293 809590826 /nfs/dbraw/zinc/59/08/26/809590826.db2.gz NEFQWTWTSQNGGV-CYBMUJFWSA-N 0 3 291.420 2.059 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001034423146 809601477 /nfs/dbraw/zinc/60/14/77/809601477.db2.gz IYDQFDHPNZDRIJ-KGLIPLIRSA-N 0 3 262.397 2.333 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2[nH]cnc2CC)C1 ZINC001034506841 809621291 /nfs/dbraw/zinc/62/12/91/809621291.db2.gz QIRBJTVNXWPNMB-ZDUSSCGKSA-N 0 3 290.411 2.133 20 30 CEEDHN C#CCNCCNC(=O)[C@H](CC)C1CCC(C)CC1 ZINC001129154875 809776247 /nfs/dbraw/zinc/77/62/47/809776247.db2.gz ADEAQMNUNXSHSI-YMAMQOFZSA-N 0 3 264.413 2.178 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](C)C(C)C)CC2 ZINC001035810458 809820678 /nfs/dbraw/zinc/82/06/78/809820678.db2.gz VIORRNPCYUMDEH-HNNXBMFYSA-N 0 3 276.424 2.226 20 30 CEEDHN CC(=O)N1CC[C@@H]2[C@@H](CCN2Cc2ccccc2C#N)C1 ZINC001036611047 809966019 /nfs/dbraw/zinc/96/60/19/809966019.db2.gz XZDLPSVFTRTFRV-DLBZAZTESA-N 0 3 283.375 2.001 20 30 CEEDHN C=CCCC(=O)NCCC1(CNCc2ocnc2C)CC1 ZINC001163746751 810186103 /nfs/dbraw/zinc/18/61/03/810186103.db2.gz VMOZGLNGKCQAPU-UHFFFAOYSA-N 0 3 291.395 2.325 20 30 CEEDHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC=CCC1 ZINC001121667502 815350561 /nfs/dbraw/zinc/35/05/61/815350561.db2.gz LFZGLEYGHYARRS-CQSZACIVSA-N 0 3 287.411 2.040 20 30 CEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)F ZINC001098862889 810239327 /nfs/dbraw/zinc/23/93/27/810239327.db2.gz SLPZCRLUVNQCEG-ZDUSSCGKSA-N 0 3 282.403 2.365 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001079942043 810239812 /nfs/dbraw/zinc/23/98/12/810239812.db2.gz SYDFYMYNRPSSNA-MBNYWOFBSA-N 0 3 250.386 2.045 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001015181479 810265995 /nfs/dbraw/zinc/26/59/95/810265995.db2.gz GEZGDRWNXCGDEU-AWEZNQCLSA-N 0 3 295.386 2.304 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccnc2C)C1 ZINC001080356790 810271690 /nfs/dbraw/zinc/27/16/90/810271690.db2.gz KYKSUMXBGXXRSS-IUODEOHRSA-N 0 3 273.380 2.016 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001080359304 810272399 /nfs/dbraw/zinc/27/23/99/810272399.db2.gz HYYQZAKLFXWRDW-KBRIMQKVSA-N 0 3 284.403 2.339 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001015274771 810273928 /nfs/dbraw/zinc/27/39/28/810273928.db2.gz SUMNSUNWIXBYHJ-OAHLLOKOSA-N 0 3 290.794 2.476 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001080516101 810288629 /nfs/dbraw/zinc/28/86/29/810288629.db2.gz UABMBBOCPJQIQM-CXAGYDPISA-N 0 3 295.386 2.241 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(CC[C@H](C)F)C2)cc1 ZINC001015479275 810294224 /nfs/dbraw/zinc/29/42/24/810294224.db2.gz AJMYBNWCQXNIHU-BBRMVZONSA-N 0 3 288.366 2.220 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001080872703 810314243 /nfs/dbraw/zinc/31/42/43/810314243.db2.gz GQMNQGMRNPGTTA-CXAGYDPISA-N 0 3 297.402 2.032 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CC=CCC2)[C@H](OC)C1 ZINC001081350963 810339460 /nfs/dbraw/zinc/33/94/60/810339460.db2.gz ZGORICNJOZAOTJ-BZUAXINKSA-N 0 3 292.423 2.124 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cc2n(n1)CCCO2 ZINC001172308706 815364059 /nfs/dbraw/zinc/36/40/59/815364059.db2.gz MCXDZVHRRJAWIR-ZDUSSCGKSA-N 0 3 296.374 2.258 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)CC2CC(C)(C)C2)[C@H](OC)C1 ZINC001082057988 810365067 /nfs/dbraw/zinc/36/50/67/810365067.db2.gz MYTPDQANROTHJS-HUUCEWRRSA-N 0 3 294.439 2.204 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001015870692 810366997 /nfs/dbraw/zinc/36/69/97/810366997.db2.gz VOSARJMCWFEQHV-ZDUSSCGKSA-N 0 3 290.794 2.476 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2sccc2OC)C1 ZINC001016051724 810392843 /nfs/dbraw/zinc/39/28/43/810392843.db2.gz DFGSVXSUXNFFHK-NSHDSACASA-N 0 3 280.393 2.137 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(N(C)C)c2)C1 ZINC001016099120 810399748 /nfs/dbraw/zinc/39/97/48/810399748.db2.gz UYAJRNGOAMILJU-OAHLLOKOSA-N 0 3 287.407 2.133 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC001016287620 810420586 /nfs/dbraw/zinc/42/05/86/810420586.db2.gz STAJEAZBCBZBCA-MRXNPFEDSA-N 0 3 297.402 2.408 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001016363179 810426577 /nfs/dbraw/zinc/42/65/77/810426577.db2.gz PQXLNYSXJNGPGE-LSDHHAIUSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)CC2CCCC2)CC1 ZINC001016488610 810445234 /nfs/dbraw/zinc/44/52/34/810445234.db2.gz HZBSRHXWLBEKDC-OAHLLOKOSA-N 0 3 274.408 2.171 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)CC2CCC2)CC1 ZINC001016553996 810451868 /nfs/dbraw/zinc/45/18/68/810451868.db2.gz JZMPBFCEEKLXLJ-OAHLLOKOSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2c(C)coc2C)CC1 ZINC001016604777 810457110 /nfs/dbraw/zinc/45/71/10/810457110.db2.gz KQDNLUYMMDWLBY-AWEZNQCLSA-N 0 3 286.375 2.114 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cc[nH]c2C(C)C)CC1 ZINC001016785795 810469090 /nfs/dbraw/zinc/46/90/90/810469090.db2.gz LPQHACOKMGAXDO-OAHLLOKOSA-N 0 3 299.418 2.356 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001016814246 810471180 /nfs/dbraw/zinc/47/11/80/810471180.db2.gz JAPDBPIJYOXEGZ-LSDHHAIUSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2occc2CC)CC1 ZINC001016814725 810472043 /nfs/dbraw/zinc/47/20/43/810472043.db2.gz NNDCJXZWHYLUER-CQSZACIVSA-N 0 3 286.375 2.060 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3cncc(C)c3)[C@@H]2C1 ZINC001084548899 810477560 /nfs/dbraw/zinc/47/75/60/810477560.db2.gz BDWWESZCIGOBMN-IAGOWNOFSA-N 0 3 299.418 2.041 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](OC)C1 ZINC001017690658 810543672 /nfs/dbraw/zinc/54/36/72/810543672.db2.gz OUHSYZGHXUOKAY-JONQDZQNSA-N 0 3 292.423 2.053 20 30 CEEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@H]3C=CCCC3)C[C@@H]21 ZINC001084969641 810553842 /nfs/dbraw/zinc/55/38/42/810553842.db2.gz RKCJBWLPPXHBQW-BBWFWOEESA-N 0 3 286.419 2.289 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@]3(C)C=CCC3)C[C@@H]21 ZINC001085007658 810564873 /nfs/dbraw/zinc/56/48/73/810564873.db2.gz TZHMCQFAHYZRPR-RYRKJORJSA-N 0 3 286.419 2.289 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CC1 ZINC001017930134 810572970 /nfs/dbraw/zinc/57/29/70/810572970.db2.gz VTFSQVXZGNXKQG-OKILXGFUSA-N 0 3 280.387 2.378 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccccn1 ZINC001085117928 810601215 /nfs/dbraw/zinc/60/12/15/810601215.db2.gz HJLKHFHTNZQOAM-CHWSQXEVSA-N 0 3 293.798 2.465 20 30 CEEDHN C[C@H](C#N)C(=O)N1CC[C@H](NCc2ccc(Cl)s2)C1 ZINC001018619397 810637876 /nfs/dbraw/zinc/63/78/76/810637876.db2.gz WPDXBITTZAMPKC-ZJUUUORDSA-N 0 3 297.811 2.252 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C2(C)CCCCCC2)C1 ZINC001018979643 810668673 /nfs/dbraw/zinc/66/86/73/810668673.db2.gz FLIQJOFOASIMEN-AWEZNQCLSA-N 0 3 262.397 2.171 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cccnc1C ZINC001038640014 810693323 /nfs/dbraw/zinc/69/33/23/810693323.db2.gz HSBTZZAIHMJRCD-AWEZNQCLSA-N 0 3 273.380 2.160 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(F)c(Cl)c2F)C1 ZINC001019327883 810700495 /nfs/dbraw/zinc/70/04/95/810700495.db2.gz ZIRDFXFHCWAORZ-VIFPVBQESA-N 0 3 298.720 2.056 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001019658150 810727051 /nfs/dbraw/zinc/72/70/51/810727051.db2.gz LNNJQYOBBGTXTM-GJZGRUSLSA-N 0 3 280.387 2.119 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2sc(C(C)C)nc2C)C1 ZINC001019770360 810739187 /nfs/dbraw/zinc/73/91/87/810739187.db2.gz MRUFTRHZOQUTFU-LBPRGKRZSA-N 0 3 291.420 2.012 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cccc(C3CC3)c2)C1 ZINC001019835063 810744991 /nfs/dbraw/zinc/74/49/91/810744991.db2.gz XIBWFZWFTZMVEZ-INIZCTEOSA-N 0 3 268.360 2.001 20 30 CEEDHN CC(C)(C)OC[C@@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC001122252346 815396266 /nfs/dbraw/zinc/39/62/66/815396266.db2.gz PTHZBAPTAQKMQH-KBPBESRZSA-N 0 3 295.427 2.204 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccsc1 ZINC001122283577 815398940 /nfs/dbraw/zinc/39/89/40/815398940.db2.gz VRPGVUDHWYLWND-WPRPVWTQSA-N 0 3 258.774 2.395 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cncc(F)c1 ZINC001085543469 810814008 /nfs/dbraw/zinc/81/40/08/810814008.db2.gz XZECZGTWLJXHOO-OAHLLOKOSA-N 0 3 291.370 2.333 20 30 CEEDHN CCCCCCC[C@H](CC)NS(=O)(=O)CCN ZINC001172347379 815399339 /nfs/dbraw/zinc/39/93/39/815399339.db2.gz UKFAMNZQVWMPAK-LBPRGKRZSA-N 0 3 264.435 2.004 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001038291836 810820164 /nfs/dbraw/zinc/82/01/64/810820164.db2.gz FJFDJFZWLJHDAL-MRXNPFEDSA-N 0 3 287.407 2.469 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccn2ccccc12 ZINC001038504962 810851997 /nfs/dbraw/zinc/85/19/97/810851997.db2.gz SXEXDMMWOLBANL-AWEZNQCLSA-N 0 3 283.375 2.320 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccn(C(F)F)n1 ZINC001085617427 810855199 /nfs/dbraw/zinc/85/51/99/810855199.db2.gz MYZBGPBJCSEEOR-NSHDSACASA-N 0 3 298.337 2.001 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)cncc1C ZINC001085721993 810888454 /nfs/dbraw/zinc/88/84/54/810888454.db2.gz LQBWSYWHAOVQHK-HNNXBMFYSA-N 0 3 287.407 2.421 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001038715590 810895956 /nfs/dbraw/zinc/89/59/56/810895956.db2.gz GRJGDKCIWIVTFK-RBSFLKMASA-N 0 3 264.413 2.435 20 30 CEEDHN C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2CCC)cc1 ZINC001085757583 810901541 /nfs/dbraw/zinc/90/15/41/810901541.db2.gz LGCNRVYZYJBGJZ-MRXNPFEDSA-N 0 3 270.376 2.224 20 30 CEEDHN CC[C@H](C)[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)C(=O)N[O-] ZINC001172367391 815406117 /nfs/dbraw/zinc/40/61/17/815406117.db2.gz KUODQGDCTKOCHZ-OFTGVCEQSA-N 0 3 256.390 2.321 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc2[nH]ncc21 ZINC001085756073 810902871 /nfs/dbraw/zinc/90/28/71/810902871.db2.gz ZKCLBJMUUJIVFL-ZDUSSCGKSA-N 0 3 298.390 2.285 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001038907530 810944853 /nfs/dbraw/zinc/94/48/53/810944853.db2.gz AKPXQFGXYGEOSG-HNNXBMFYSA-N 0 3 290.411 2.234 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cccc(OC)c1 ZINC001038955004 810956604 /nfs/dbraw/zinc/95/66/04/810956604.db2.gz HMNFVGJEZQFYCA-OAHLLOKOSA-N 0 3 288.391 2.466 20 30 CEEDHN CC[C@@H](CC(F)(F)F)NC(=O)[C@H](N)CCCCC#N ZINC001122453890 815412526 /nfs/dbraw/zinc/41/25/26/815412526.db2.gz MLNGEGSEWVEAOF-VHSXEESVSA-N 0 3 279.306 2.245 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccn1CC ZINC001085975014 810989894 /nfs/dbraw/zinc/98/98/94/810989894.db2.gz LIYPQNHCSFQDFS-AWEZNQCLSA-N 0 3 275.396 2.230 20 30 CEEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CC)C1 ZINC001039187075 810995072 /nfs/dbraw/zinc/99/50/72/810995072.db2.gz DZOBZJOAKZKOTP-CABCVRRESA-N 0 3 262.397 2.123 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC(=C)C1 ZINC001039433514 811030968 /nfs/dbraw/zinc/03/09/68/811030968.db2.gz MAULWBJPXNGNSB-CVEARBPZSA-N 0 3 286.419 2.431 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC001040058613 811081816 /nfs/dbraw/zinc/08/18/16/811081816.db2.gz FLROLZYOZUTQLT-QGZVFWFLSA-N 0 3 276.424 2.370 20 30 CEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3ccoc3)C2)C1 ZINC001040062521 811081859 /nfs/dbraw/zinc/08/18/59/811081859.db2.gz DCNVMXHFEPBDGH-INIZCTEOSA-N 0 3 274.364 2.394 20 30 CEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3cc(C)on3)C2)C1 ZINC001040061617 811082304 /nfs/dbraw/zinc/08/23/04/811082304.db2.gz FGBTXVFEPQLLTF-INIZCTEOSA-N 0 3 289.379 2.097 20 30 CEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3ccns3)C2)C1 ZINC001040231225 811098188 /nfs/dbraw/zinc/09/81/88/811098188.db2.gz FHCXAJDYULOVLT-HNNXBMFYSA-N 0 3 291.420 2.257 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)c3ccccc3)C2)CC1 ZINC001040585309 811115920 /nfs/dbraw/zinc/11/59/20/811115920.db2.gz UWEDQFAGZIXLAV-UHFFFAOYSA-N 0 3 282.387 2.248 20 30 CEEDHN N#CC(C(=O)CCCC(=O)C1CC1)c1ccccn1 ZINC001122538901 815422733 /nfs/dbraw/zinc/42/27/33/815422733.db2.gz IGZYBNWJELTNSI-LBPRGKRZSA-N 0 3 256.305 2.407 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@]3(C)CC=CCC3)C2)C1 ZINC001041318969 811160388 /nfs/dbraw/zinc/16/03/88/811160388.db2.gz YCHDJMKIWLOQJF-MSOLQXFVSA-N 0 3 286.419 2.290 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001086490340 811163050 /nfs/dbraw/zinc/16/30/50/811163050.db2.gz NDQLOXAFUAITPU-IJLUTSLNSA-N 0 3 268.788 2.023 20 30 CEEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001122609416 815430334 /nfs/dbraw/zinc/43/03/34/815430334.db2.gz IXUBYUIKVZGSMY-BFHYXJOUSA-N 0 3 265.316 2.400 20 30 CEEDHN C#CCN1CC[C@H]2CCN(C(=O)C(C)=C3CCC3)C[C@@H]21 ZINC001042054216 811239098 /nfs/dbraw/zinc/23/90/98/811239098.db2.gz HVNRBBOOGCOLMT-HOTGVXAUSA-N 0 3 272.392 2.043 20 30 CEEDHN C#CCN1CC[C@@H]2CCN(C(=O)C(C)=C3CCC3)C[C@H]21 ZINC001042054218 811240382 /nfs/dbraw/zinc/24/03/82/811240382.db2.gz HVNRBBOOGCOLMT-HZPDHXFCSA-N 0 3 272.392 2.043 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(C)CCC3)C[C@@H]21 ZINC001042182437 811251091 /nfs/dbraw/zinc/25/10/91/811251091.db2.gz LIZZWUYAYGWEPE-KGLIPLIRSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc4c([nH]3)CCC4)C[C@H]21 ZINC001042308961 811267169 /nfs/dbraw/zinc/26/71/69/811267169.db2.gz ICZFKZHMTMSGEZ-CXAGYDPISA-N 0 3 299.418 2.226 20 30 CEEDHN C[C@H](N)c1ccn(-c2ccc(C#N)c3[nH]ccc32)n1 ZINC001169235375 811433981 /nfs/dbraw/zinc/43/39/81/811433981.db2.gz VMWDXYHVZZSVTM-VIFPVBQESA-N 0 3 251.293 2.245 20 30 CEEDHN C[C@H](N)c1ccn(-c2ccc(C(F)(F)F)c(C#N)n2)n1 ZINC001169228310 811439990 /nfs/dbraw/zinc/43/99/90/811439990.db2.gz OHWLMRWDCAQVJA-ZETCQYMHSA-N 0 3 281.241 2.177 20 30 CEEDHN C[C@@H](CCCC#N)N1CCN(c2cc(C#N)ccn2)CC1 ZINC001172500222 815455118 /nfs/dbraw/zinc/45/51/18/815455118.db2.gz KRNVIZIBYTVOLT-AWEZNQCLSA-N 0 3 283.379 2.158 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccnc1C)C2 ZINC001096006782 811571337 /nfs/dbraw/zinc/57/13/37/811571337.db2.gz QREPUAMTRGJWCX-IKGGRYGDSA-N 0 3 299.418 2.230 20 30 CEEDHN CC(=O)N1CCC[C@H](NC2(c3ccc(C#N)cc3)CC2)C1 ZINC001169585222 811590209 /nfs/dbraw/zinc/59/02/09/811590209.db2.gz NCTFMPYEDJQWFX-INIZCTEOSA-N 0 3 283.375 2.148 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)c2cc3occc3[nH]2)CC1 ZINC001045454265 811612430 /nfs/dbraw/zinc/61/24/30/811612430.db2.gz HJBWBSLCZFXXJJ-UHFFFAOYSA-N 0 3 299.374 2.369 20 30 CEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC)C2 ZINC001045901910 811659204 /nfs/dbraw/zinc/65/92/04/811659204.db2.gz QLVFRQQCQOGYQK-MRXNPFEDSA-N 0 3 262.397 2.124 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC(C)C)C2 ZINC001045910874 811662131 /nfs/dbraw/zinc/66/21/31/811662131.db2.gz UVTAMANTXMEPIO-KRWDZBQOSA-N 0 3 276.424 2.370 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C1CC1)C2 ZINC001045907925 811662615 /nfs/dbraw/zinc/66/26/15/811662615.db2.gz FIEYFCRPEYOTKI-KRWDZBQOSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CCC)C2 ZINC001045910245 811662745 /nfs/dbraw/zinc/66/27/45/811662745.db2.gz UYNJYCFPCJCDGB-MRXNPFEDSA-N 0 3 262.397 2.124 20 30 CEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C#CC1CC1)C2 ZINC001045937311 811668369 /nfs/dbraw/zinc/66/83/69/811668369.db2.gz ZKGJMAGSCWKQAQ-LJQANCHMSA-N 0 3 298.430 2.128 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1CC)C2 ZINC001045968055 811669848 /nfs/dbraw/zinc/66/98/48/811669848.db2.gz HUSSNXNMAUZBFE-JFIYKMOQSA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1cc(C)nnc1C ZINC001169843520 811684627 /nfs/dbraw/zinc/68/46/27/811684627.db2.gz FYIRWRODSZOGMZ-UHFFFAOYSA-N 0 3 262.401 2.033 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(C)n2C)C1 ZINC001046143897 811694896 /nfs/dbraw/zinc/69/48/96/811694896.db2.gz XCEATJPTTFFQBA-MRXNPFEDSA-N 0 3 275.396 2.104 20 30 CEEDHN C=CCCN1CC[C@@](C)(NC(=O)c2cnc(C)s2)C1 ZINC001046188040 811704144 /nfs/dbraw/zinc/70/41/44/811704144.db2.gz YUYRALHSWQWEEE-CQSZACIVSA-N 0 3 279.409 2.222 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cc(CCC)on1 ZINC001169892507 811714597 /nfs/dbraw/zinc/71/45/97/811714597.db2.gz AJLQKCLKABEGEW-UHFFFAOYSA-N 0 3 285.775 2.089 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ncc3ccccn32)C1 ZINC001046482817 811762534 /nfs/dbraw/zinc/76/25/34/811762534.db2.gz MTDSGMNVOBITAU-QGZVFWFLSA-N 0 3 298.390 2.105 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ncc(C)cc2C)C1 ZINC001046506192 811765951 /nfs/dbraw/zinc/76/59/51/811765951.db2.gz ZATMTEVOUQLPMA-QGZVFWFLSA-N 0 3 287.407 2.469 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)C2CCC(F)CC2)C1 ZINC001046599729 811783855 /nfs/dbraw/zinc/78/38/55/811783855.db2.gz YSSVYZKDZDCYKR-SSDMNJCBSA-N 0 3 268.376 2.281 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cc(C)cc(F)c2)C1 ZINC001046648962 811790986 /nfs/dbraw/zinc/79/09/86/811790986.db2.gz PJPXEOJIXIEAQV-QGZVFWFLSA-N 0 3 288.366 2.352 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc3cccnn32)C1 ZINC001046682083 811798194 /nfs/dbraw/zinc/79/81/94/811798194.db2.gz VREGDFVSYDTPHS-QGZVFWFLSA-N 0 3 298.390 2.105 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)C2 ZINC001096139029 811840889 /nfs/dbraw/zinc/84/08/89/811840889.db2.gz LSEMZBMJQICBKO-ALYAQQCSSA-N 0 3 286.419 2.167 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=C)C)C2 ZINC001109353153 811864385 /nfs/dbraw/zinc/86/43/85/811864385.db2.gz LASBXPDDNKZLGR-ILXRZTDVSA-N 0 3 260.381 2.088 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(F)F)C2 ZINC001109704880 811929738 /nfs/dbraw/zinc/92/97/38/811929738.db2.gz HQOIODXRAVIVAB-WOPDTQHZSA-N 0 3 284.350 2.023 20 30 CEEDHN CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1C#N ZINC001048493789 811981852 /nfs/dbraw/zinc/98/18/52/811981852.db2.gz LMVORIRQUUNEOP-GBEXYDAJSA-N 0 3 297.402 2.437 20 30 CEEDHN CCCCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001110023331 811986396 /nfs/dbraw/zinc/98/63/96/811986396.db2.gz ORDPITZAIURYMA-PMPSAXMXSA-N 0 3 296.455 2.451 20 30 CEEDHN C=CCC[C@H](C)N1CCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC001112620064 812021281 /nfs/dbraw/zinc/02/12/81/812021281.db2.gz ZWYIVHLHPHYPTD-HOTGVXAUSA-N 0 3 294.439 2.445 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCCC3(C)C)C[C@@H]2C1 ZINC001048994414 812050022 /nfs/dbraw/zinc/05/00/22/812050022.db2.gz NXIXQEPMFNLRCW-XHSDSOJGSA-N 0 3 288.435 2.226 20 30 CEEDHN C=C1CC(C)(C(=O)N2C[C@H]3CN(C[C@H](F)CC)C[C@H]3C2)C1 ZINC001049042623 812063404 /nfs/dbraw/zinc/06/34/04/812063404.db2.gz DQSAMIAAYATAIK-QLFBSQMISA-N 0 3 294.414 2.481 20 30 CEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CC[C@H](C)OC)CC1 ZINC001112789505 812067989 /nfs/dbraw/zinc/06/79/89/812067989.db2.gz IYKWSQSIKYVZRC-CABCVRRESA-N 0 3 282.428 2.300 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cccc(C4CC4)c3)C[C@@H]2C1 ZINC001049240317 812090658 /nfs/dbraw/zinc/09/06/58/812090658.db2.gz BKBARTLKMLMLMM-HDICACEKSA-N 0 3 294.398 2.201 20 30 CEEDHN C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccs1 ZINC001049301696 812112850 /nfs/dbraw/zinc/11/28/50/812112850.db2.gz KSYBQMXRTPEBGU-UONOGXRCSA-N 0 3 288.416 2.450 20 30 CEEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC(C)(C)C ZINC001049327048 812118628 /nfs/dbraw/zinc/11/86/28/812118628.db2.gz MWUYRUCJSRZHCJ-KGLIPLIRSA-N 0 3 262.397 2.121 20 30 CEEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1CC1(C)C ZINC001123337283 815504508 /nfs/dbraw/zinc/50/45/08/815504508.db2.gz PNIPDMCVGWGDEI-JGVFFNPUSA-N 0 3 251.717 2.296 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1coc(C)c1 ZINC001049433664 812147145 /nfs/dbraw/zinc/14/71/45/812147145.db2.gz SXFFPBFGCFIQMB-CABCVRRESA-N 0 3 274.364 2.453 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1[nH]ccc1C ZINC001049455836 812149641 /nfs/dbraw/zinc/14/96/41/812149641.db2.gz HNZCXXDXKURHFV-KBPBESRZSA-N 0 3 273.380 2.188 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1C=CC=CC=C1 ZINC001049501220 812157448 /nfs/dbraw/zinc/15/74/48/812157448.db2.gz IIGGXJAJMGQSCJ-QZTJIDSGSA-N 0 3 296.414 2.373 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccsn1 ZINC001049546955 812165300 /nfs/dbraw/zinc/16/53/00/812165300.db2.gz VWZAKQQXYSFIRA-QWHCGFSZSA-N 0 3 277.393 2.008 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C)CCOCC1 ZINC001049789664 812208347 /nfs/dbraw/zinc/20/83/47/812208347.db2.gz DMELYNCNOWYBRP-LSDHHAIUSA-N 0 3 292.423 2.054 20 30 CEEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1oncc1C ZINC001049821929 812214665 /nfs/dbraw/zinc/21/46/65/812214665.db2.gz JQWGRVKCUZPGLM-UONOGXRCSA-N 0 3 289.379 2.238 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscn1)C2 ZINC001096877913 812290250 /nfs/dbraw/zinc/29/02/50/812290250.db2.gz NKHZPOKNQMAKCO-WZRBSPASSA-N 0 3 277.393 2.054 20 30 CEEDHN CC[C@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001113885460 812421987 /nfs/dbraw/zinc/42/19/87/812421987.db2.gz HPZMFEMLLLREAV-KKBVYLPWSA-N 0 3 297.402 2.151 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H](C)COC)C1 ZINC001097809579 812438232 /nfs/dbraw/zinc/43/82/32/812438232.db2.gz LNLFLMXSKFLLTJ-TUVASFSCSA-N 0 3 292.423 2.099 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2oc(CC)cc2C)CC1 ZINC001052867932 812469189 /nfs/dbraw/zinc/46/91/89/812469189.db2.gz PHPGEIBCTGPTDW-AWEZNQCLSA-N 0 3 288.391 2.368 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2cccc3c2CCC3)CC1 ZINC001052969294 812480437 /nfs/dbraw/zinc/48/04/37/812480437.db2.gz LJDAPUODGOSUGZ-INIZCTEOSA-N 0 3 296.414 2.393 20 30 CEEDHN CC#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)C(F)F)C1 ZINC001053059049 812487651 /nfs/dbraw/zinc/48/76/51/812487651.db2.gz RAYIWEXUPHHPOK-UONOGXRCSA-N 0 3 298.377 2.368 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001053071407 812489234 /nfs/dbraw/zinc/48/92/34/812489234.db2.gz LZDKIPRWTCIBIX-HZPDHXFCSA-N 0 3 276.424 2.369 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1CC)C2 ZINC001097884460 812490990 /nfs/dbraw/zinc/49/09/90/812490990.db2.gz GKMVXYLMXMCWJO-RYPNDVFKSA-N 0 3 262.397 2.330 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)[C@@H]2CCCC23CC3)cc1 ZINC001130208311 812544536 /nfs/dbraw/zinc/54/45/36/812544536.db2.gz IKYWOZXRUVWWGI-INIZCTEOSA-N 0 3 297.402 2.344 20 30 CEEDHN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccccc2O)C[C@H]1C ZINC001054404048 812608300 /nfs/dbraw/zinc/60/83/00/812608300.db2.gz FARLBRQYEZCEAW-ZWNOBZJWSA-N 0 3 294.782 2.195 20 30 CEEDHN COC(=O)[C@@H]1CC[C@@H](NCc2csc(C#N)c2)C1 ZINC001170526057 812623095 /nfs/dbraw/zinc/62/30/95/812623095.db2.gz MGJSKTZLUMBAHR-GHMZBOCLSA-N 0 3 264.350 2.051 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cncs2)C1 ZINC001054976210 812675756 /nfs/dbraw/zinc/67/57/56/812675756.db2.gz JDRMJYQGAGDHPD-DGCLKSJQSA-N 0 3 293.436 2.292 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NCc2ccns2)C1 ZINC001054975059 812676279 /nfs/dbraw/zinc/67/62/79/812676279.db2.gz APUFFYIRZHRYPD-WCQYABFASA-N 0 3 293.436 2.292 20 30 CEEDHN CC1(CC(=O)NCCNCc2ccc(F)c(C#N)c2)CC1 ZINC001131482304 812679137 /nfs/dbraw/zinc/67/91/37/812679137.db2.gz DERXACIRQWKLHX-UHFFFAOYSA-N 0 3 289.354 2.093 20 30 CEEDHN C[C@@H](Nc1cccc2[nH]cc(CC#N)c21)[C@H]1CNCCO1 ZINC001170573388 812696156 /nfs/dbraw/zinc/69/61/56/812696156.db2.gz RPEXIOIMSZQMPS-IAQYHMDHSA-N 0 3 284.363 2.023 20 30 CEEDHN CC#CCNCCNC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001131731770 812712936 /nfs/dbraw/zinc/71/29/36/812712936.db2.gz IOAZTXIAOSJNNB-CVEARBPZSA-N 0 3 288.366 2.048 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)CCSC)CC[C@H]1C ZINC001131781328 812728211 /nfs/dbraw/zinc/72/82/11/812728211.db2.gz XXVLSQNCQLJNDT-CHWSQXEVSA-N 0 3 270.442 2.285 20 30 CEEDHN C=CCN1C[C@H](NC(=O)/C=C(\C)C2CC2)CC[C@@H]1C ZINC001131903534 812751614 /nfs/dbraw/zinc/75/16/14/812751614.db2.gz IOVWPVUXJYJETI-YLNVSZPXSA-N 0 3 262.397 2.498 20 30 CEEDHN C=CCOCC(=O)N[C@@H]1CC[C@H](C)N(CC=C(C)C)C1 ZINC001131896400 812754081 /nfs/dbraw/zinc/75/40/81/812754081.db2.gz RNOTUPTZOFFCIN-LSDHHAIUSA-N 0 3 280.412 2.124 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)C3CC(F)(F)C3)[C@@H]2C1 ZINC001050014604 812770164 /nfs/dbraw/zinc/77/01/64/812770164.db2.gz NUSFUFNKUUVWLY-WCQYABFASA-N 0 3 284.350 2.141 20 30 CEEDHN CC#CCNCCNC(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC001131997899 812770500 /nfs/dbraw/zinc/77/05/00/812770500.db2.gz POHAAHKVVJNWRG-UHFFFAOYSA-N 0 3 283.375 2.127 20 30 CEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)C=C3CCC3)[C@@H]2C1 ZINC001050017939 812771811 /nfs/dbraw/zinc/77/18/11/812771811.db2.gz JODOVTOHHAGIAT-JKSUJKDBSA-N 0 3 272.392 2.043 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C2(C(F)F)CC2)CC[C@@H]1C ZINC001132057143 812781928 /nfs/dbraw/zinc/78/19/28/812781928.db2.gz KFADDYWVRSPBNP-RYUDHWBXSA-N 0 3 284.350 2.024 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3ncc(C)cc3C)[C@@H]2C1 ZINC001050101266 812782838 /nfs/dbraw/zinc/78/28/38/812782838.db2.gz IYEQOEYCPPDKAL-JKSUJKDBSA-N 0 3 299.418 2.421 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3ccc(Cl)[nH]3)[C@@H]2C1 ZINC001050133660 812786458 /nfs/dbraw/zinc/78/64/58/812786458.db2.gz BMGKWPWVGSXGHB-WCQYABFASA-N 0 3 293.798 2.391 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CC2(C)CC2)CC[C@H]1C ZINC001132191156 812798794 /nfs/dbraw/zinc/79/87/94/812798794.db2.gz QZSPZRKAWMGCLX-CHWSQXEVSA-N 0 3 250.386 2.332 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C2(C(F)F)CCC2)CC[C@H]1C ZINC001132240285 812809635 /nfs/dbraw/zinc/80/96/35/812809635.db2.gz DYBHXXMHVHDSAX-OLZOCXBDSA-N 0 3 298.377 2.414 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2(C(F)F)CCC2)CC[C@@H]1C ZINC001132240286 812811557 /nfs/dbraw/zinc/81/15/57/812811557.db2.gz DYBHXXMHVHDSAX-QWHCGFSZSA-N 0 3 298.377 2.414 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)c3ccccc3C)C2)CC1 ZINC001050414883 812820816 /nfs/dbraw/zinc/82/08/16/812820816.db2.gz ZSLCJEGPWFNHRN-UHFFFAOYSA-N 0 3 282.387 2.166 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(CCOC)C1 ZINC001132331610 812831867 /nfs/dbraw/zinc/83/18/67/812831867.db2.gz OTEMONFOUUPMQM-ZIAGYGMSSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CC(C)(C)C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001132402543 812840054 /nfs/dbraw/zinc/84/00/54/812840054.db2.gz TUGGTSSFQYSXPI-UHFFFAOYSA-N 0 3 289.354 2.115 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)C3(CC)CCC3)C2)CC1 ZINC001050624853 812845226 /nfs/dbraw/zinc/84/52/26/812845226.db2.gz WNJWJRJWGZLEFP-UHFFFAOYSA-N 0 3 274.408 2.124 20 30 CEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1cncc(C)c1 ZINC001132569295 812893585 /nfs/dbraw/zinc/89/35/85/812893585.db2.gz NZVLSVBVTYHXQY-ZIAGYGMSSA-N 0 3 275.396 2.054 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)CC2CCCC2)CC1 ZINC001052169341 812940413 /nfs/dbraw/zinc/94/04/13/812940413.db2.gz LRKGPOMHROQAEN-HNNXBMFYSA-N 0 3 262.397 2.171 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2cc(C)oc2C)CC1 ZINC001052193598 812942829 /nfs/dbraw/zinc/94/28/29/812942829.db2.gz AHPUAENHOAVGOD-AWEZNQCLSA-N 0 3 274.364 2.114 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)C=C2CCC2)CC1 ZINC001052302070 812965693 /nfs/dbraw/zinc/96/56/93/812965693.db2.gz FEIYMAUWHFUBIT-OAHLLOKOSA-N 0 3 260.381 2.091 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001052394861 812985785 /nfs/dbraw/zinc/98/57/85/812985785.db2.gz FZGGMVVJCRJAGZ-LTIDMASMSA-N 0 3 286.419 2.193 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2c[nH]c3ccccc23)CC1 ZINC001052534780 813003703 /nfs/dbraw/zinc/00/37/03/813003703.db2.gz NPPVRUBSXKFWJZ-AWEZNQCLSA-N 0 3 295.386 2.385 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2c[nH]c3ccccc23)CC1 ZINC001052534781 813003896 /nfs/dbraw/zinc/00/38/96/813003896.db2.gz NPPVRUBSXKFWJZ-CQSZACIVSA-N 0 3 295.386 2.385 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2c(C)oc(C)c2C)CC1 ZINC001052543975 813006342 /nfs/dbraw/zinc/00/63/42/813006342.db2.gz JBJMCKRZTUQVJU-HNNXBMFYSA-N 0 3 288.391 2.422 20 30 CEEDHN CC#CCNCCNC(=O)CCCCc1ccccc1 ZINC001133211072 813011790 /nfs/dbraw/zinc/01/17/90/813011790.db2.gz AXTVOVSNVAPSJZ-UHFFFAOYSA-N 0 3 272.392 2.129 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)C2(C)CCC2)CC1 ZINC001052624184 813012385 /nfs/dbraw/zinc/01/23/85/813012385.db2.gz YSPBQMPSNBKTRH-CQSZACIVSA-N 0 3 262.397 2.171 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN(CC#CC)CC2)cc1 ZINC001052614982 813013895 /nfs/dbraw/zinc/01/38/95/813013895.db2.gz CPRUEVWHDKFXQX-SFHVURJKSA-N 0 3 294.398 2.276 20 30 CEEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)C1CC1 ZINC001133444229 813069557 /nfs/dbraw/zinc/06/95/57/813069557.db2.gz STUSRYLANHXONL-NXEZZACHSA-N 0 3 289.217 2.178 20 30 CEEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)N1CCCCCC1 ZINC000384233691 813118782 /nfs/dbraw/zinc/11/87/82/813118782.db2.gz YHCYRZKPKNGPJE-HIFRSBDPSA-N 0 3 250.386 2.169 20 30 CEEDHN C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1[O-] ZINC001133722375 813142770 /nfs/dbraw/zinc/14/27/70/813142770.db2.gz IDSHJQSNOQDJAP-STQMWFEESA-N 0 3 276.380 2.455 20 30 CEEDHN Cc1ncc(CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)C)o1 ZINC001134317421 813250116 /nfs/dbraw/zinc/25/01/16/813250116.db2.gz JCRQYTYJJPHUNL-STQMWFEESA-N 0 3 291.395 2.015 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(C(C)C)cc1 ZINC000392889822 813308336 /nfs/dbraw/zinc/30/83/36/813308336.db2.gz NJXGDWYTCGPLOI-UHFFFAOYSA-N 0 3 272.392 2.495 20 30 CEEDHN CC#CCNCCNC(=O)[C@H](CC)CC1CCCC1 ZINC001134688599 813310579 /nfs/dbraw/zinc/31/05/79/813310579.db2.gz RYLYPVNDMVSZKT-OAHLLOKOSA-N 0 3 264.413 2.322 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2CCCC2)CC[C@@H]1C ZINC001071293727 813349532 /nfs/dbraw/zinc/34/95/32/813349532.db2.gz JFRQSKKOOIQGAF-DZGCQCFKSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(F)cc2)CC[C@@H]1C ZINC001071293907 813350173 /nfs/dbraw/zinc/35/01/73/813350173.db2.gz LJSJUBODUTWNIC-BBRMVZONSA-N 0 3 288.366 2.432 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccccn2)CC[C@H]1C ZINC001071310856 813359971 /nfs/dbraw/zinc/35/99/71/813359971.db2.gz VNJWAMANMQZKKF-ZIAGYGMSSA-N 0 3 273.380 2.240 20 30 CEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2ccsn2)C1 ZINC001086728376 813366315 /nfs/dbraw/zinc/36/63/15/813366315.db2.gz ALTIPXCSEAFOCS-WDEREUQCSA-N 0 3 299.827 2.384 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)CC[C@@H]1C ZINC001071335692 813369589 /nfs/dbraw/zinc/36/95/89/813369589.db2.gz ZUHNCJGGBPUCNE-AAEUAGOBSA-N 0 3 293.798 2.274 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1ccn(C)n1 ZINC001135230203 813392392 /nfs/dbraw/zinc/39/23/92/813392392.db2.gz KBHHTSABEVMDNT-STQMWFEESA-N 0 3 292.427 2.005 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccn(C)c2)CC[C@H]1C ZINC001071426753 813402167 /nfs/dbraw/zinc/40/21/67/813402167.db2.gz AJKBYMQXVMKZEH-UKRRQHHQSA-N 0 3 275.396 2.184 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)Cc2ccc(C)o2)CC[C@@H]1C ZINC001071439134 813406196 /nfs/dbraw/zinc/40/61/96/813406196.db2.gz XKEHMOBLEAZZQK-ZFWWWQNUSA-N 0 3 288.391 2.123 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccc(F)cn2)CC[C@H]1C ZINC001071448563 813408807 /nfs/dbraw/zinc/40/88/07/813408807.db2.gz XOKKORAWJSCTRV-TZMCWYRMSA-N 0 3 291.370 2.380 20 30 CEEDHN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1ccn(C)n1 ZINC001135358466 813415570 /nfs/dbraw/zinc/41/55/70/813415570.db2.gz SMCPXQWXHIPOTE-KBPBESRZSA-N 0 3 292.427 2.149 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cc[nH]c2CC)CC[C@@H]1C ZINC001071485039 813421065 /nfs/dbraw/zinc/42/10/65/813421065.db2.gz JQXCNNUHUXDGAO-KBPBESRZSA-N 0 3 287.407 2.183 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@@H]1CC[C@H](C)N(CC)C1 ZINC001071568757 813439471 /nfs/dbraw/zinc/43/94/71/813439471.db2.gz SCQRGHHDMQAUSP-UONOGXRCSA-N 0 3 275.396 2.277 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)cc(C)n2)CC[C@@H]1C ZINC001071627986 813454267 /nfs/dbraw/zinc/45/42/67/813454267.db2.gz MNTINPJFLOBFLG-JKSUJKDBSA-N 0 3 299.418 2.304 20 30 CEEDHN C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](C)N(CC(=C)C)C2)c1 ZINC001071813465 813491060 /nfs/dbraw/zinc/49/10/60/813491060.db2.gz ATHKWBWNCGRYKC-WMLDXEAASA-N 0 3 297.402 2.222 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2c[nH]cc2C2CC2)CC[C@@H]1C ZINC001071944927 813517243 /nfs/dbraw/zinc/51/72/43/813517243.db2.gz BTZSIXJFFCTCQH-DZGCQCFKSA-N 0 3 299.418 2.498 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@H]3C=CCC3)C2)C1 ZINC001072454823 813592583 /nfs/dbraw/zinc/59/25/83/813592583.db2.gz HIEGWILRUSLXAA-AWEZNQCLSA-N 0 3 260.381 2.063 20 30 CEEDHN CC(C)[C@H]1C[C@@H]1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001136060504 813597186 /nfs/dbraw/zinc/59/71/86/813597186.db2.gz DSOVMMYNMSSWDW-CVEARBPZSA-N 0 3 285.391 2.056 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@]34C[C@H]3CCCC4)C2)C1 ZINC001072967065 813703371 /nfs/dbraw/zinc/70/33/71/813703371.db2.gz RSWSDJRBVSPFJB-CRAIPNDOSA-N 0 3 286.419 2.124 20 30 CEEDHN COC(=O)c1ccc(C(=N)Nc2ccc3nc[nH]c3c2)cc1 ZINC001170983934 813720238 /nfs/dbraw/zinc/72/02/38/813720238.db2.gz HUJVMUCUVIKNOA-UHFFFAOYSA-N 0 3 294.314 2.387 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(N(C)C)cc3)C2)C1 ZINC001073150026 813732733 /nfs/dbraw/zinc/73/27/33/813732733.db2.gz JTWZEDNZIWVVNQ-UHFFFAOYSA-N 0 3 299.418 2.087 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(F)s3)C2)C1 ZINC001073480446 813757275 /nfs/dbraw/zinc/75/72/75/813757275.db2.gz UQOPZFJVAZRNCX-UHFFFAOYSA-N 0 3 280.368 2.221 20 30 CEEDHN CC(=O)N1CC[C@@H](CNCc2ccccc2C#N)[C@H](C)C1 ZINC001075173257 813883913 /nfs/dbraw/zinc/88/39/13/813883913.db2.gz ZELVNFXESNMYEJ-CJNGLKHVSA-N 0 3 285.391 2.152 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(OC)c1)C2 ZINC001098271922 813914729 /nfs/dbraw/zinc/91/47/29/813914729.db2.gz SWIGZMARAYCRBL-OIISXLGYSA-N 0 3 298.386 2.054 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2C)C1 ZINC001098772757 813948699 /nfs/dbraw/zinc/94/86/99/813948699.db2.gz AHAFJYQANVCJLC-YOEHRIQHSA-N 0 3 285.391 2.160 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001090986293 813954495 /nfs/dbraw/zinc/95/44/95/813954495.db2.gz WRTDBZFDAWFLCY-HTAVTVPLSA-N 0 3 270.804 2.269 20 30 CEEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)COC ZINC001098961424 813967271 /nfs/dbraw/zinc/96/72/71/813967271.db2.gz XZRZUHYZDUEPHY-CABCVRRESA-N 0 3 296.455 2.452 20 30 CEEDHN C=C(Cc1ccccc1)C(=O)N[C@]1(C)CCCN(C)C1 ZINC001144405263 814055598 /nfs/dbraw/zinc/05/55/98/814055598.db2.gz KKHBVDJBNRXSFA-QGZVFWFLSA-N 0 3 272.392 2.386 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C(CC)(CC)CC)[C@@H](O)C1 ZINC001100051701 814058556 /nfs/dbraw/zinc/05/85/56/814058556.db2.gz ZAJIAOOUXZAZKI-CABCVRRESA-N 0 3 296.455 2.330 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)NCc1ccncn1 ZINC001171180923 814068835 /nfs/dbraw/zinc/06/88/35/814068835.db2.gz DIMPZPCOKKRAQP-GFCCVEGCSA-N 0 3 252.321 2.069 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)/C=C\c2ccc[nH]2)C1 ZINC001100275117 814089445 /nfs/dbraw/zinc/08/94/45/814089445.db2.gz LIGXJDIUZJNXPG-PLNGDYQASA-N 0 3 293.798 2.265 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@@H](CO)c1ccccn1 ZINC001171192229 814089406 /nfs/dbraw/zinc/08/94/06/814089406.db2.gz LRUKPLWWIPYMFV-GUYCJALGSA-N 0 3 281.359 2.207 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)/C(C)=C/CC)C[C@]2(C)C1 ZINC001101155726 814227749 /nfs/dbraw/zinc/22/77/49/814227749.db2.gz ZGDDOPLPRXYLQT-VIYXCCSCSA-N 0 3 274.408 2.146 20 30 CEEDHN CCCCCCC[C@@H](C)N1CCNC[C@H]1C(=O)OC ZINC001246627699 814228861 /nfs/dbraw/zinc/22/88/61/814228861.db2.gz WOCPAPJGYHCGSZ-KGLIPLIRSA-N 0 3 270.417 2.182 20 30 CEEDHN C#CCCCC(=O)N1C[C@H]2CN(C[C@H](F)CC)C[C@@]2(C)C1 ZINC001101217557 814233583 /nfs/dbraw/zinc/23/35/83/814233583.db2.gz ARJLGHABRJPRBY-INMHGKMJSA-N 0 3 294.414 2.318 20 30 CEEDHN C=C(Cl)C(C)(C)C(=O)NC[C@@H]1CN(CCF)C[C@H]1C ZINC001102002584 814352772 /nfs/dbraw/zinc/35/27/72/814352772.db2.gz QYZXMMNQOPJNGU-ZYHUDNBSSA-N 0 3 290.810 2.419 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)CCC)C2)C1 ZINC001147250634 814406089 /nfs/dbraw/zinc/40/60/89/814406089.db2.gz LOCLPRCNXBWQDJ-ZDUSSCGKSA-N 0 3 250.386 2.143 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)/C=C\C(C)(C)C)C2)C1 ZINC001147240181 814412659 /nfs/dbraw/zinc/41/26/59/814412659.db2.gz IMHMIKOLHKAJCU-SREVYHEPSA-N 0 3 262.397 2.309 20 30 CEEDHN CC#CCNCCNC(=O)C[C@H](CC)c1ccccc1 ZINC001147474848 814447381 /nfs/dbraw/zinc/44/73/81/814447381.db2.gz KHURYYGKAIQZCK-HNNXBMFYSA-N 0 3 272.392 2.299 20 30 CEEDHN CCCCCCCCN1CCC[C@H]1C(=O)NCC(=O)OC ZINC001171305919 814447857 /nfs/dbraw/zinc/44/78/57/814447857.db2.gz DWGAYNMDFATMNM-AWEZNQCLSA-N 0 3 298.427 2.101 20 30 CEEDHN C#CCCCCCC(=O)N1CC2(C1)CCN(CC#CC)C2 ZINC001148059733 814520650 /nfs/dbraw/zinc/52/06/50/814520650.db2.gz KHUPJQZRSJPCEP-UHFFFAOYSA-N 0 3 286.419 2.128 20 30 CEEDHN C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CCN(CC#CC)C2 ZINC001148094756 814521988 /nfs/dbraw/zinc/52/19/88/814521988.db2.gz APOGSKOXFGDOHY-HUUCEWRRSA-N 0 3 274.408 2.002 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C/C=C(\C)C=C)C2)C1 ZINC001148080222 814526427 /nfs/dbraw/zinc/52/64/27/814526427.db2.gz RMZHDHLSEJSYRB-MKMNVTDBSA-N 0 3 260.381 2.229 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)[C@H](C)CC)C2)C1 ZINC001148501222 814576335 /nfs/dbraw/zinc/57/63/35/814576335.db2.gz OFZJGZXSKOCABA-CABCVRRESA-N 0 3 276.424 2.226 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)SC)C1 ZINC001111610097 814589208 /nfs/dbraw/zinc/58/92/08/814589208.db2.gz LINFWTNNAUIDNR-YDHLFZDLSA-N 0 3 282.453 2.285 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)/C(C)=C\CC)C1 ZINC001111633455 814591824 /nfs/dbraw/zinc/59/18/24/814591824.db2.gz ARPGIHWWCXCZHV-BYGVAPHOSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C=C(CC)CC)C1 ZINC001111697644 814596549 /nfs/dbraw/zinc/59/65/49/814596549.db2.gz LYYQXOSAEXORES-RDJZCZTQSA-N 0 3 274.408 2.337 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)CC#Cc3ccccc3)C2)C1 ZINC001148811564 814616163 /nfs/dbraw/zinc/61/61/63/814616163.db2.gz DEDHIHVWIZQHFQ-UHFFFAOYSA-N 0 3 294.398 2.149 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C=C)CC)C1 ZINC001111850929 814620325 /nfs/dbraw/zinc/62/03/25/814620325.db2.gz ZGZYKOAXPPYGOR-ZOBUZTSGSA-N 0 3 274.408 2.193 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001115317142 814693130 /nfs/dbraw/zinc/69/31/30/814693130.db2.gz AXOKXXJLWJEPFF-DZJNRPSUSA-N 0 3 298.430 2.406 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2cc(Cl)cs2)[C@H](C)C1 ZINC001093022243 814840247 /nfs/dbraw/zinc/84/02/47/814840247.db2.gz PRAQNPJUBITQMR-GHMZBOCLSA-N 0 3 296.823 2.332 20 30 CEEDHN C#C[C@@H](NCCc1ccc(F)cc1F)[C@@H]1CCCO1 ZINC001116678950 814875635 /nfs/dbraw/zinc/87/56/35/814875635.db2.gz ZNCQAQYQFIZKBN-CABCVRRESA-N 0 3 265.303 2.278 20 30 CEEDHN C[C@H](NCC[C@H]1CCCS1(=O)=O)c1cccc(C#N)c1 ZINC000714342175 814895629 /nfs/dbraw/zinc/89/56/29/814895629.db2.gz MSBTXXTURABASY-SWLSCSKDSA-N 0 3 292.404 2.176 20 30 CEEDHN C[C@H](NCC[C@H]1CCCS1(=O)=O)c1ccc(C#N)cc1 ZINC000714338304 814896012 /nfs/dbraw/zinc/89/60/12/814896012.db2.gz BHKKKINHAXRVHV-SWLSCSKDSA-N 0 3 292.404 2.176 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2CCF)C1 ZINC001036788372 814909864 /nfs/dbraw/zinc/90/98/64/814909864.db2.gz ALVCXMWNXPFTQZ-OLZOCXBDSA-N 0 3 268.376 2.091 20 30 CEEDHN COc1ccc(CN2CCN(C(C)C)[C@@H](C)C2)c(C#N)c1 ZINC001137706932 815669838 /nfs/dbraw/zinc/66/98/38/815669838.db2.gz WVRABUBXRHOQOL-AWEZNQCLSA-N 0 3 287.407 2.481 20 30 CEEDHN COC(=O)CCCC[C@@H](C)N1CC[C@@](C)(C#N)C1 ZINC001173459501 815738611 /nfs/dbraw/zinc/73/86/11/815738611.db2.gz MVWXZGDMYSHKPR-OCCSQVGLSA-N 0 3 252.358 2.344 20 30 CEEDHN CC1(C#N)CCC(N2CCN(c3cncnc3)CC2)CC1 ZINC001173599117 815758775 /nfs/dbraw/zinc/75/87/75/815758775.db2.gz ZTQMAVRYCPDBHH-UHFFFAOYSA-N 0 3 285.395 2.071 20 30 CEEDHN C=C(C)CN(CC)Cc1cnc(N2CCN(C)CC2)s1 ZINC001139324105 816004432 /nfs/dbraw/zinc/00/44/32/816004432.db2.gz ZWWLXNJFQMFRHK-UHFFFAOYSA-N 0 3 294.468 2.293 20 30 CEEDHN N#Cc1c(Cl)cccc1CN1CCN2CC[C@@H]2C1 ZINC001139692801 816085731 /nfs/dbraw/zinc/08/57/31/816085731.db2.gz JVLNHMUQTWPTIN-GFCCVEGCSA-N 0 3 261.756 2.102 20 30 CEEDHN N#Cc1cccc2c(CN3CCCOCC3)c[nH]c21 ZINC001139701588 816088753 /nfs/dbraw/zinc/08/87/53/816088753.db2.gz LEKCTYQDNASNOC-UHFFFAOYSA-N 0 3 255.321 2.262 20 30 CEEDHN C=CCn1cc(CN2CCC3(CC(F)(F)CO3)CC2)cn1 ZINC001139767779 816110874 /nfs/dbraw/zinc/11/08/74/816110874.db2.gz BDANMQYWWPXXHJ-UHFFFAOYSA-N 0 3 297.349 2.459 20 30 CEEDHN C=CCn1cc(CN2CCC(COCC)CC2)cn1 ZINC001139772377 816111746 /nfs/dbraw/zinc/11/17/46/816111746.db2.gz HIPFGYKLWIFGOC-UHFFFAOYSA-N 0 3 263.385 2.318 20 30 CEEDHN N#Cc1ccc(Cl)c(CN2CCN3CC[C@H]3C2)c1 ZINC001140603202 816298261 /nfs/dbraw/zinc/29/82/61/816298261.db2.gz FKALZZZFAZGCOX-ZDUSSCGKSA-N 0 3 261.756 2.102 20 30 CEEDHN COCC1CN(Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142911729 816753971 /nfs/dbraw/zinc/75/39/71/816753971.db2.gz HLEVJQYMCFSCFR-UHFFFAOYSA-N 0 3 255.321 2.118 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H](C)CCC)C1 ZINC001149400326 816858713 /nfs/dbraw/zinc/85/87/13/816858713.db2.gz WJOMNPZVGLSPPG-CABCVRRESA-N 0 3 282.428 2.206 20 30 CEEDHN C#CCC[C@H](O)CNCc1nc2ccccc2n1C(C)C ZINC001179489008 816867524 /nfs/dbraw/zinc/86/75/24/816867524.db2.gz DMKPIFUEOPWVNN-AWEZNQCLSA-N 0 3 285.391 2.481 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCSC2(CCCCC2)C1 ZINC000079504391 343982445 /nfs/dbraw/zinc/98/24/45/343982445.db2.gz GGRKXHSELMBHTC-CYBMUJFWSA-N 0 3 282.453 2.429 20 30 CEEDHN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)C(C)C#N)C1 ZINC000336344643 365560492 /nfs/dbraw/zinc/56/04/92/365560492.db2.gz TZRICLKZLSGLTL-JSGCOSHPSA-N 0 3 289.354 2.379 20 30 CEEDHN C=CCc1ccc(OC[C@H](O)CN(C)CC=C)c(OC)c1 ZINC000121401642 365565008 /nfs/dbraw/zinc/56/50/08/365565008.db2.gz RRBVHEWZUIXRQJ-OAHLLOKOSA-N 0 3 291.391 2.281 20 30 CEEDHN N#Cc1ccc(OCCN2CCCC[C@@H]2CCO)cc1 ZINC000034652560 361793115 /nfs/dbraw/zinc/79/31/15/361793115.db2.gz WAEHRUBBIUYJSO-OAHLLOKOSA-N 0 3 274.364 2.174 20 30 CEEDHN CC[C@@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000125413123 365673215 /nfs/dbraw/zinc/67/32/15/365673215.db2.gz DYQRISLGRRQCSQ-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN N#CC(C(=O)c1cnn2c1CCCC2)c1ccccn1 ZINC000125605022 365680366 /nfs/dbraw/zinc/68/03/66/365680366.db2.gz NRVYSSXYFCMQRZ-LLVKDONJSA-N 0 3 266.304 2.104 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000601547998 346849209 /nfs/dbraw/zinc/84/92/09/346849209.db2.gz YXBVQVHZUWXOON-KGLIPLIRSA-N 0 3 295.333 2.364 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCc1cccc2[nH]ccc21 ZINC000601550079 346849377 /nfs/dbraw/zinc/84/93/77/346849377.db2.gz KYTFABPUHBNQKD-CQSZACIVSA-N 0 3 284.363 2.195 20 30 CEEDHN Cn1ncc2c1CCC[C@H]2NCc1ccc(C#N)cc1 ZINC000037087274 361895307 /nfs/dbraw/zinc/89/53/07/361895307.db2.gz DJMAFGODRRMUQA-OAHLLOKOSA-N 0 3 266.348 2.459 20 30 CEEDHN CC[C@H](C#N)C(=O)Nc1ccc(CN(C)C)cc1OC ZINC000601621520 346863171 /nfs/dbraw/zinc/86/31/71/346863171.db2.gz NQKWBCMTJDDHRJ-GFCCVEGCSA-N 0 3 275.352 2.245 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2cc(C(C)C)nn2C)nc(C)n1 ZINC000080255368 344004913 /nfs/dbraw/zinc/00/49/13/344004913.db2.gz RPKPVLZGCLFUTP-GFCCVEGCSA-N 0 3 297.362 2.440 20 30 CEEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2CCCC[C@H]2F)cc1 ZINC000567693368 299077206 /nfs/dbraw/zinc/07/72/06/299077206.db2.gz QKUIJPKIMJZOOE-NUEKZKHPSA-N 0 3 292.354 2.168 20 30 CEEDHN C[C@H](NC(=O)C1CCCC1)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000328835347 539185947 /nfs/dbraw/zinc/18/59/47/539185947.db2.gz WZPFMQWCZOHQJY-JSGCOSHPSA-N 0 3 295.427 2.074 20 30 CEEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCC(=O)N2)C1 ZINC000328879634 539187671 /nfs/dbraw/zinc/18/76/71/539187671.db2.gz KDRVGTZTHRYMNT-WOPDTQHZSA-N 0 3 267.373 2.181 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000354851138 529490153 /nfs/dbraw/zinc/49/01/53/529490153.db2.gz OZHZKPKPQMCGJM-ZFWWWQNUSA-N 0 3 265.401 2.307 20 30 CEEDHN COCC#CCN(CCc1cccc(F)c1)C1CC1 ZINC000677133438 539190588 /nfs/dbraw/zinc/19/05/88/539190588.db2.gz VMCWZPJIGIVPEV-UHFFFAOYSA-N 0 3 261.340 2.482 20 30 CEEDHN CC[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1nccs1 ZINC000329824260 539253440 /nfs/dbraw/zinc/25/34/40/539253440.db2.gz HUKLRLAQKIHVGF-JQWIXIFHSA-N 0 3 294.424 2.335 20 30 CEEDHN CC[C@H](NCCCS(=O)(=O)CC)c1ccc(C#N)cc1 ZINC000414337841 529599504 /nfs/dbraw/zinc/59/95/04/529599504.db2.gz JRZFFXNLNJXUSU-HNNXBMFYSA-N 0 3 294.420 2.424 20 30 CEEDHN C=CCCCN(C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000126067225 365696554 /nfs/dbraw/zinc/69/65/54/365696554.db2.gz UKQRHZILXOQQIN-NSHDSACASA-N 0 3 278.318 2.438 20 30 CEEDHN C#CCCN[C@H](CO)c1ccc(Br)cc1 ZINC000273152554 192058835 /nfs/dbraw/zinc/05/88/35/192058835.db2.gz XNAGHFQHHUZJJZ-GFCCVEGCSA-N 0 3 268.154 2.095 20 30 CEEDHN C[C@@]1(O)CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000336608289 365714056 /nfs/dbraw/zinc/71/40/56/365714056.db2.gz UGCTWHCOBULRHP-OAHLLOKOSA-N 0 3 262.328 2.434 20 30 CEEDHN N#Cc1ccc([C@H](N[C@H]2CCCC23CC3)C(N)=O)cc1 ZINC000601933865 346930846 /nfs/dbraw/zinc/93/08/46/346930846.db2.gz KGHINNNMJBLWIO-KBPBESRZSA-N 0 3 269.348 2.007 20 30 CEEDHN Cc1cccc(N2CCN(C(=O)C(C)C#N)CC2)c1C ZINC000044814556 362155902 /nfs/dbraw/zinc/15/59/02/362155902.db2.gz VDEUCXFUETYXQF-ZDUSSCGKSA-N 0 3 271.364 2.112 20 30 CEEDHN CCN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CCCCC1 ZINC000027285592 343392140 /nfs/dbraw/zinc/39/21/40/343392140.db2.gz FUNAQVHLTDDVCL-INIZCTEOSA-N 0 3 277.412 2.449 20 30 CEEDHN N#Cc1cccc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)n1 ZINC000567828198 299096042 /nfs/dbraw/zinc/09/60/42/299096042.db2.gz DGTNIQYCRYWHDG-CQSZACIVSA-N 0 3 299.378 2.045 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)c1cccc(CC#N)c1 ZINC000044533126 343473745 /nfs/dbraw/zinc/47/37/45/343473745.db2.gz MEQUGWSVBMFNGT-AWEZNQCLSA-N 0 3 285.391 2.357 20 30 CEEDHN C[C@H](NC[C@H](O)C[C@](C)(O)C1CC1)c1ccc(C#N)cc1 ZINC000601953188 346942342 /nfs/dbraw/zinc/94/23/42/346942342.db2.gz CDHXITZCPNIKMC-VUCTXSBTSA-N 0 3 288.391 2.121 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CC(Cc2ccco2)C1 ZINC000601964467 346944384 /nfs/dbraw/zinc/94/43/84/346944384.db2.gz OYGXNVJQGMILBS-CYBMUJFWSA-N 0 3 262.353 2.055 20 30 CEEDHN CN1CCC[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000048770158 343532404 /nfs/dbraw/zinc/53/24/04/343532404.db2.gz KORXENQEBHNZGT-LBPRGKRZSA-N 0 3 292.770 2.427 20 30 CEEDHN C[C@@H](NC(=O)N[C@H]1CCCN(C)C1)c1ccc(C#N)cc1 ZINC000052548101 343563266 /nfs/dbraw/zinc/56/32/66/343563266.db2.gz JLAYDDMPNVWARU-DOMZBBRYSA-N 0 3 286.379 2.013 20 30 CEEDHN C=CCN(CCC(=O)N(C)C)Cc1cccc(C#N)c1 ZINC000063300150 343676723 /nfs/dbraw/zinc/67/67/23/343676723.db2.gz GXBCGCWPTMAGRT-UHFFFAOYSA-N 0 3 271.364 2.025 20 30 CEEDHN CC(C)CCN1CCN(c2cc(C#N)ccn2)CC1 ZINC000061137661 343665670 /nfs/dbraw/zinc/66/56/70/343665670.db2.gz FDPHOFIVOMMVHL-UHFFFAOYSA-N 0 3 258.369 2.121 20 30 CEEDHN N#Cc1c(F)cccc1CN[C@H]1CCN(C2CC2)C1 ZINC000602004444 346955817 /nfs/dbraw/zinc/95/58/17/346955817.db2.gz VESPCNWPEUGTJP-LBPRGKRZSA-N 0 3 259.328 2.024 20 30 CEEDHN C=C(C)CN1CCN(CCc2cccs2)CC1 ZINC000064352081 343688777 /nfs/dbraw/zinc/68/87/77/343688777.db2.gz HCTLUYVOHWRBBU-UHFFFAOYSA-N 0 3 250.411 2.484 20 30 CEEDHN N#Cc1ccc(OC2CCC(NCc3ccon3)CC2)nc1 ZINC000602016098 346960075 /nfs/dbraw/zinc/96/00/75/346960075.db2.gz UKTUYAHSHSDROU-UHFFFAOYSA-N 0 3 298.346 2.421 20 30 CEEDHN C=CCOc1ccc(C(=O)NC[C@@H](C)N2CCCC2)cc1 ZINC000068064876 343753156 /nfs/dbraw/zinc/75/31/56/343753156.db2.gz YTRMEGVDSYKTPT-CQSZACIVSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000069316646 343785502 /nfs/dbraw/zinc/78/55/02/343785502.db2.gz DDWGBFXVOLRKBN-GDBMZVCRSA-N 0 3 290.407 2.387 20 30 CEEDHN CC[C@](C)(C#N)NC(=O)[C@H](C)N1CCCCCC1 ZINC000073225354 343825060 /nfs/dbraw/zinc/82/50/60/343825060.db2.gz HDSBWQDZHNNDCQ-GXTWGEPZSA-N 0 3 251.374 2.059 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](c2c[nH]c3ncccc32)C1 ZINC000602197001 346993260 /nfs/dbraw/zinc/99/32/60/346993260.db2.gz KTAZEUGGZRAABI-RYUDHWBXSA-N 0 3 282.347 2.429 20 30 CEEDHN C#CCN1CCC(C(=O)NC2CC(c3ccccc3)C2)CC1 ZINC000077351544 343917726 /nfs/dbraw/zinc/91/77/26/343917726.db2.gz BLIGMNHORZGOHM-UHFFFAOYSA-N 0 3 296.414 2.394 20 30 CEEDHN C=CCN1CCC(C(=O)Nc2nc(C)cs2)CC1 ZINC000077378373 343918391 /nfs/dbraw/zinc/91/83/91/343918391.db2.gz KFEYKACBLUFCNO-UHFFFAOYSA-N 0 3 265.382 2.288 20 30 CEEDHN C#CCOc1ccccc1CNC[C@H](C)C[C@H](C)O ZINC000077427753 343920178 /nfs/dbraw/zinc/92/01/78/343920178.db2.gz IWSYRTBWLKOOOA-KGLIPLIRSA-N 0 3 261.365 2.195 20 30 CEEDHN C[C@@H](C#N)CN(C)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000602347563 347016501 /nfs/dbraw/zinc/01/65/01/347016501.db2.gz HZUMKTUQKGFWPC-DZGCQCFKSA-N 0 3 292.427 2.194 20 30 CEEDHN CN(CCOc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000048336371 362257970 /nfs/dbraw/zinc/25/79/70/362257970.db2.gz ADQGZPYSQMBAGW-HNNXBMFYSA-N 0 3 260.337 2.048 20 30 CEEDHN N#CCCCN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000078886117 343965665 /nfs/dbraw/zinc/96/56/65/343965665.db2.gz FTFJMEGOXZJADY-CQSZACIVSA-N 0 3 287.411 2.488 20 30 CEEDHN N#Cc1ccc(NC2CCN([C@H]3CCOC3)CC2)c(F)c1 ZINC000089602772 344125853 /nfs/dbraw/zinc/12/58/53/344125853.db2.gz LLRLNSQRZPIHKQ-AWEZNQCLSA-N 0 3 289.354 2.363 20 30 CEEDHN C[C@H](CCC#N)CN1CCN(c2ccccn2)CC1 ZINC000602429198 347029395 /nfs/dbraw/zinc/02/93/95/347029395.db2.gz NISZSRMSVPUEGP-CQSZACIVSA-N 0 3 258.369 2.143 20 30 CEEDHN N#CC1(C(=O)NCC2CCN(c3ccncc3)CC2)CCC1 ZINC000093064109 344213326 /nfs/dbraw/zinc/21/33/26/344213326.db2.gz IKPDPUNTCNFDMM-UHFFFAOYSA-N 0 3 298.390 2.108 20 30 CEEDHN C[C@@H](NCCn1ccccc1=O)c1ccc(C#N)cc1 ZINC000097988473 344246628 /nfs/dbraw/zinc/24/66/28/344246628.db2.gz OBQLNZVJMGLUCD-CYBMUJFWSA-N 0 3 267.332 2.071 20 30 CEEDHN N#Cc1ccccc1OCCN1CCCCC[C@H]1CO ZINC000133523176 344369364 /nfs/dbraw/zinc/36/93/64/344369364.db2.gz VUCVFPYKXWKKJC-HNNXBMFYSA-N 0 3 274.364 2.174 20 30 CEEDHN COC[C@@H]1CCCN1Cc1ccc(OC)c(C#N)c1 ZINC000135125574 344380361 /nfs/dbraw/zinc/38/03/61/344380361.db2.gz SCBIFDRJHMCYLT-AWEZNQCLSA-N 0 3 260.337 2.178 20 30 CEEDHN CN1CCC[C@H]1CNC(=O)c1cccc(SCC#N)c1 ZINC000176031015 344500255 /nfs/dbraw/zinc/50/02/55/344500255.db2.gz HVRMDWPCRZKRAI-ZDUSSCGKSA-N 0 3 289.404 2.126 20 30 CEEDHN N#Cc1cccc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)n1 ZINC000602484161 347054986 /nfs/dbraw/zinc/05/49/86/347054986.db2.gz HWZMIWWYXXABMM-RDTXWAMCSA-N 0 3 296.418 2.402 20 30 CEEDHN CC1(CNCCS(=O)(=O)c2ccc(C#N)cc2)CCC1 ZINC000232870518 344580215 /nfs/dbraw/zinc/58/02/15/344580215.db2.gz YXUJNGBWQSJIBI-UHFFFAOYSA-N 0 3 292.404 2.112 20 30 CEEDHN N#CC1(C(=O)Nc2ccc3c(c2F)CCNC3)CCC1 ZINC000602491178 347056964 /nfs/dbraw/zinc/05/69/64/347056964.db2.gz HHBTZLGZFIFUMR-UHFFFAOYSA-N 0 3 273.311 2.104 20 30 CEEDHN COc1ccc(CCNCc2cccc(C#N)n2)cc1F ZINC000602536132 347069482 /nfs/dbraw/zinc/06/94/82/347069482.db2.gz ZBMSVVRSQBVIAU-UHFFFAOYSA-N 0 3 285.322 2.433 20 30 CEEDHN C#CC[C@@H](N[C@@H]1CCN(CCOC)C1)c1ccccc1 ZINC000273207133 192074690 /nfs/dbraw/zinc/07/46/90/192074690.db2.gz SHRRVDHQWVDLFD-IAGOWNOFSA-N 0 3 272.392 2.061 20 30 CEEDHN COc1cccc(C)c1CNC1CCN(CC#N)CC1 ZINC000602538109 347070209 /nfs/dbraw/zinc/07/02/09/347070209.db2.gz IBNOEVLWNSYLER-UHFFFAOYSA-N 0 3 273.380 2.081 20 30 CEEDHN CNc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000602550832 347073293 /nfs/dbraw/zinc/07/32/93/347073293.db2.gz OFKFPANDLPDPBH-ZDUSSCGKSA-N 0 3 260.341 2.078 20 30 CEEDHN CCC(F)(F)C(C)(C)CNC(=O)[C@H](N)CCCC#N ZINC000602543544 347071009 /nfs/dbraw/zinc/07/10/09/347071009.db2.gz DCZAMLZRQMHBML-SNVBAGLBSA-N 0 3 275.343 2.195 20 30 CEEDHN C[C@H](CCC#N)CN[C@H]1CCN(c2ccccc2F)C1=O ZINC000602560060 347077824 /nfs/dbraw/zinc/07/78/24/347077824.db2.gz AXGNEBQMXKDBAX-OCCSQVGLSA-N 0 3 289.354 2.460 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCCC2(CC2)CC1 ZINC000602569919 347082284 /nfs/dbraw/zinc/08/22/84/347082284.db2.gz QPHACVGTGGMDAP-ZDUSSCGKSA-N 0 3 263.385 2.190 20 30 CEEDHN C/C=C\C[C@@H]1CCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000602574537 347083836 /nfs/dbraw/zinc/08/38/36/347083836.db2.gz AWWLJEVIHVMXOH-FGXVQYDJSA-N 0 3 263.385 2.212 20 30 CEEDHN CCN(CC)C(=O)[C@H](C)N1CCC(CCC#N)CC1 ZINC000399387085 344857546 /nfs/dbraw/zinc/85/75/46/344857546.db2.gz INUJUVGGZYNAAE-ZDUSSCGKSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874839958 649848305 /nfs/dbraw/zinc/84/83/05/649848305.db2.gz YLQIROBTNHKTIX-LSDHHAIUSA-N 0 3 262.397 2.450 20 30 CEEDHN CCN(CCOc1ccc(C#N)cc1)[C@@H]1CCCOC1 ZINC000402823700 344873742 /nfs/dbraw/zinc/87/37/42/344873742.db2.gz IGIXJIVQSPZZNX-OAHLLOKOSA-N 0 3 274.364 2.438 20 30 CEEDHN CN(CC#N)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000413276473 344891610 /nfs/dbraw/zinc/89/16/10/344891610.db2.gz FIMUMDRCHMZEML-UHFFFAOYSA-N 0 3 271.364 2.268 20 30 CEEDHN C=CCn1cc(CNC2CCC(C)(C#N)CC2)nn1 ZINC000424166769 344897271 /nfs/dbraw/zinc/89/72/71/344897271.db2.gz BEYLFWZGMPAJKO-UHFFFAOYSA-N 0 3 259.357 2.026 20 30 CEEDHN COc1cc(CNCC(C)(C)CC#N)cc(OC)c1O ZINC000459734247 344907418 /nfs/dbraw/zinc/90/74/18/344907418.db2.gz RMXQUSCHANCPAB-UHFFFAOYSA-N 0 3 278.352 2.439 20 30 CEEDHN C=CCN1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000493804017 344920349 /nfs/dbraw/zinc/92/03/49/344920349.db2.gz BQFUUSFAESIKMK-VXGBXAGGSA-N 0 3 254.374 2.408 20 30 CEEDHN CC[C@@H](Cn1cncn1)N[C@@H](C)c1cccc(C#N)c1 ZINC000585725924 345011941 /nfs/dbraw/zinc/01/19/41/345011941.db2.gz FLHMNTWTMBLWMW-WFASDCNBSA-N 0 3 269.352 2.279 20 30 CEEDHN C=CCn1cc(CN[C@@H]2CCCC[C@@H]2[C@H]2CCOC2)nn1 ZINC000584833429 344991178 /nfs/dbraw/zinc/99/11/78/344991178.db2.gz QVWIDVCHIZVNJL-NUEKZKHPSA-N 0 3 290.411 2.149 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CCCCCC#N ZINC000588645983 345049192 /nfs/dbraw/zinc/04/91/92/345049192.db2.gz RVWBYLGVZCMCEW-GXTWGEPZSA-N 0 3 263.385 2.059 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)CCCCCC#N)[C@@H]2C1 ZINC000588672279 345051098 /nfs/dbraw/zinc/05/10/98/345051098.db2.gz AZTJDCOPMDYTOX-UONOGXRCSA-N 0 3 263.385 2.013 20 30 CEEDHN CC1=CCN(CCNC(=O)CCCCCC#N)CC1 ZINC000588679195 345052039 /nfs/dbraw/zinc/05/20/39/345052039.db2.gz JKKDNWVLGJOMLT-UHFFFAOYSA-N 0 3 263.385 2.229 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(CC)(CO)CC1 ZINC000128246301 187359450 /nfs/dbraw/zinc/35/94/50/187359450.db2.gz IYQNWMNHSBLBDU-HNNXBMFYSA-N 0 3 294.439 2.060 20 30 CEEDHN Cc1ccccc1[C@@H]([C@@H](C)Nc1ccc(C#N)nn1)N(C)C ZINC000588084092 345038165 /nfs/dbraw/zinc/03/81/65/345038165.db2.gz JQAIPDNDAFFNTE-CXAGYDPISA-N 0 3 295.390 2.182 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000127360563 187299295 /nfs/dbraw/zinc/29/92/95/187299295.db2.gz WGVTWFFYXYYEMA-KRWDZBQOSA-N 0 3 296.374 2.194 20 30 CEEDHN N#CC1(CC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000590134951 345116476 /nfs/dbraw/zinc/11/64/76/345116476.db2.gz JTQONKNDBLRIDX-UHFFFAOYSA-N 0 3 297.402 2.415 20 30 CEEDHN N#C[C@H]1CC[C@@H](N2CCC(c3nnc4n3CCC4)CC2)C1 ZINC000590157740 345118619 /nfs/dbraw/zinc/11/86/19/345118619.db2.gz HOIWKORUXBKSTH-GXTWGEPZSA-N 0 3 285.395 2.096 20 30 CEEDHN COC[C@H]1CCCN(Cc2ccnc(C#N)c2)CC1 ZINC000590765607 345176495 /nfs/dbraw/zinc/17/64/95/345176495.db2.gz IOCQWMPMGIHQGJ-ZDUSSCGKSA-N 0 3 259.353 2.202 20 30 CEEDHN Cc1nsc(N2CCCN(C[C@H](C)CCC#N)CC2)n1 ZINC000590594579 345149038 /nfs/dbraw/zinc/14/90/38/345149038.db2.gz SFYXMCUVAVQISP-GFCCVEGCSA-N 0 3 293.440 2.299 20 30 CEEDHN CC(C)NC(=O)[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000591257246 345235302 /nfs/dbraw/zinc/23/53/02/345235302.db2.gz KAWKIIYWEUVYSD-MLGOLLRUSA-N 0 3 285.391 2.438 20 30 CEEDHN N#Cc1ccc(OCCN2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000590972460 345208761 /nfs/dbraw/zinc/20/87/61/345208761.db2.gz WQZRITSPPGVNOM-ZBFHGGJFSA-N 0 3 272.348 2.048 20 30 CEEDHN N#Cc1cnccc1CN[C@@H](CCO)C1CCCCC1 ZINC000592098979 345322188 /nfs/dbraw/zinc/32/21/88/345322188.db2.gz PJUFUXXVHBRUIL-INIZCTEOSA-N 0 3 273.380 2.374 20 30 CEEDHN CC[C@H]1CN(C)CCN1Cc1ccc(C#N)cc1C ZINC000591850175 345288417 /nfs/dbraw/zinc/28/84/17/345288417.db2.gz YFCHDIAGMGNYND-INIZCTEOSA-N 0 3 257.381 2.393 20 30 CEEDHN CC[C@@H]1CC[C@H](C)N1Cc1cnc2c(C#N)cnn2c1 ZINC000592512539 345363264 /nfs/dbraw/zinc/36/32/64/345363264.db2.gz JPQFFCPXNOQQCY-SMDDNHRTSA-N 0 3 269.352 2.364 20 30 CEEDHN Cc1cc(C)c(CN2CC[C@](O)(CC#N)C2)cc1C ZINC000592523548 345366295 /nfs/dbraw/zinc/36/62/95/345366295.db2.gz OGVSRXBMDUIYJA-MRXNPFEDSA-N 0 3 258.365 2.462 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N(C)CCC(C)(C)C ZINC000592144185 345328559 /nfs/dbraw/zinc/32/85/59/345328559.db2.gz BJGVEQSEQWDCSL-GFCCVEGCSA-N 0 3 253.390 2.115 20 30 CEEDHN Cc1ccccc1OCCCN1CC[C@](O)(CC#N)C1 ZINC000592150516 345329757 /nfs/dbraw/zinc/32/97/57/345329757.db2.gz FTCXLUYRMMPWFM-MRXNPFEDSA-N 0 3 274.364 2.114 20 30 CEEDHN C[C@@H](CO)C1CCN(CCOc2ccccc2C#N)CC1 ZINC000593085714 345436193 /nfs/dbraw/zinc/43/61/93/345436193.db2.gz VVDMZKMHNGTIGC-AWEZNQCLSA-N 0 3 288.391 2.277 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCc2ccccc2[C@H](C)C1 ZINC000593095232 345437396 /nfs/dbraw/zinc/43/73/96/345437396.db2.gz MAYTZCTXFZOPGA-CABCVRRESA-N 0 3 299.418 2.409 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000593802058 345541075 /nfs/dbraw/zinc/54/10/75/345541075.db2.gz KOPUNAXSHWLCIV-FPCVCCKLSA-N 0 3 284.359 2.195 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)C1(C#N)CCCCC1 ZINC000593882885 345547729 /nfs/dbraw/zinc/54/77/29/345547729.db2.gz KXBWCPXNVYAWPI-UHFFFAOYSA-N 0 3 277.412 2.405 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)N1Cc2cccc(C#N)c2C1 ZINC000593892445 345549472 /nfs/dbraw/zinc/54/94/72/345549472.db2.gz UMVFTNWOWFFYIU-INIZCTEOSA-N 0 3 283.375 2.275 20 30 CEEDHN C[C@@H]1CN(C(=O)[C@@H](N)CCCC#N)CCc2ccccc21 ZINC000593916749 345551834 /nfs/dbraw/zinc/55/18/34/345551834.db2.gz QSYJDAFWLZOCIH-CJNGLKHVSA-N 0 3 285.391 2.196 20 30 CEEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCc1ccc(C#N)cn1 ZINC000593974419 345558707 /nfs/dbraw/zinc/55/87/07/345558707.db2.gz YRZLNISKCZFLJZ-SUMWQHHRSA-N 0 3 281.359 2.207 20 30 CEEDHN C[C@H]1C[C@H](N(C)C(=O)CCCCC#N)CCN1C ZINC000593984392 345560331 /nfs/dbraw/zinc/56/03/31/345560331.db2.gz WIAMRQNEDZOUSC-QWHCGFSZSA-N 0 3 251.374 2.011 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000593984482 345560496 /nfs/dbraw/zinc/56/04/96/345560496.db2.gz PWVPHWDVBCLYEU-RHSMWYFYSA-N 0 3 299.418 2.289 20 30 CEEDHN CC(C)[C@H](NCc1ccc(C#N)cn1)C1(CO)CC=CC1 ZINC000594016530 345567082 /nfs/dbraw/zinc/56/70/82/345567082.db2.gz YYWUXIMXUNVQQT-INIZCTEOSA-N 0 3 285.391 2.396 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCN1CCCC1 ZINC000594272454 345607296 /nfs/dbraw/zinc/60/72/96/345607296.db2.gz GWXQBINRICDUME-HNNXBMFYSA-N 0 3 299.418 2.291 20 30 CEEDHN CCN1CCCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000594286122 345609094 /nfs/dbraw/zinc/60/90/94/345609094.db2.gz OPPBETFTACVMKN-OAHLLOKOSA-N 0 3 299.418 2.291 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1-n1cccn1 ZINC000594426220 345626596 /nfs/dbraw/zinc/62/65/96/345626596.db2.gz OABNCBKIKGAIEM-CYBMUJFWSA-N 0 3 297.362 2.222 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000594426968 345626629 /nfs/dbraw/zinc/62/66/29/345626629.db2.gz UABWEIMDYPSPJH-JKSUJKDBSA-N 0 3 285.391 2.071 20 30 CEEDHN COc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594427920 345627069 /nfs/dbraw/zinc/62/70/69/345627069.db2.gz XSTJUFQTZWHILC-ZDUSSCGKSA-N 0 3 261.325 2.045 20 30 CEEDHN CCOc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594428199 345627084 /nfs/dbraw/zinc/62/70/84/345627084.db2.gz LRZAFFYTSOVWOO-AWEZNQCLSA-N 0 3 275.352 2.435 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000594428873 345627311 /nfs/dbraw/zinc/62/73/11/345627311.db2.gz PQFQIYHURSLIMY-CVEARBPZSA-N 0 3 285.391 2.414 20 30 CEEDHN C[C@@H](Cc1cccs1)NC(=O)[C@H](N)CCCCC#N ZINC000594430144 345627658 /nfs/dbraw/zinc/62/76/58/345627658.db2.gz ZGKOGYNDLLJZAW-WCQYABFASA-N 0 3 279.409 2.207 20 30 CEEDHN CCc1ccc(CNC(=O)[C@@H](N)CCCCC#N)s1 ZINC000594429375 345627738 /nfs/dbraw/zinc/62/77/38/345627738.db2.gz TUSLIMUIAOIDSS-ZDUSSCGKSA-N 0 3 279.409 2.338 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000594430103 345627795 /nfs/dbraw/zinc/62/77/95/345627795.db2.gz VSEIXZGXOLPAQJ-OAHLLOKOSA-N 0 3 297.362 2.222 20 30 CEEDHN Cc1ccc(CNC(=O)[C@H](N)CCCCC#N)s1 ZINC000594428967 345628147 /nfs/dbraw/zinc/62/81/47/345628147.db2.gz PNSZCRYTMPKBER-GFCCVEGCSA-N 0 3 265.382 2.084 20 30 CEEDHN Cc1ccc(NC(=O)[C@H](N)CCCCC#N)c2n[nH]cc21 ZINC000594431156 345628311 /nfs/dbraw/zinc/62/83/11/345628311.db2.gz IQNQENBVHMOXKO-GFCCVEGCSA-N 0 3 285.351 2.221 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000594431684 345628369 /nfs/dbraw/zinc/62/83/69/345628369.db2.gz PRNVVKGDUYTGOY-QLFBSQMISA-N 0 3 289.354 2.209 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCc1ccc(F)cc1F ZINC000594432109 345628574 /nfs/dbraw/zinc/62/85/74/345628574.db2.gz XYDNKRXLJWUUHB-CQSZACIVSA-N 0 3 295.333 2.035 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000594433747 345629369 /nfs/dbraw/zinc/62/93/69/345629369.db2.gz RXOILIADJCOCIJ-OWCLPIDISA-N 0 3 285.391 2.145 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000594434537 345629707 /nfs/dbraw/zinc/62/97/07/345629707.db2.gz OGLDDATYPZMQKK-CABCVRRESA-N 0 3 289.354 2.340 20 30 CEEDHN Cc1ccc2c(c1)N(C(=O)[C@@H](N)CCCCC#N)CC2 ZINC000594436153 345629755 /nfs/dbraw/zinc/62/97/55/345629755.db2.gz IKQAYAWJSGAVIH-AWEZNQCLSA-N 0 3 271.364 2.295 20 30 CEEDHN CC[C@](C)(NC(=O)[C@H](N)CCCCC#N)c1nccs1 ZINC000594439929 345631168 /nfs/dbraw/zinc/63/11/68/345631168.db2.gz WLMXRCINPUTTFV-RISCZKNCSA-N 0 3 294.424 2.296 20 30 CEEDHN CC[C@@H](NC(=O)[C@H](N)CCCCC#N)c1nccs1 ZINC000594440097 345631329 /nfs/dbraw/zinc/63/13/29/345631329.db2.gz ZKWJGCOOMXCUGO-GHMZBOCLSA-N 0 3 280.397 2.122 20 30 CEEDHN CN(C)c1ccccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594441800 345631385 /nfs/dbraw/zinc/63/13/85/345631385.db2.gz WYSCYDHOWWJXIS-LBPRGKRZSA-N 0 3 274.368 2.102 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CC2(CC2)c2ccccc21 ZINC000594447079 345632499 /nfs/dbraw/zinc/63/24/99/345632499.db2.gz SRQRGKDXBFFAEH-AWEZNQCLSA-N 0 3 283.375 2.476 20 30 CEEDHN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594454956 345634870 /nfs/dbraw/zinc/63/48/70/345634870.db2.gz WNKFNHARXICRBQ-HRCADAONSA-N 0 3 285.391 2.378 20 30 CEEDHN N#Cc1ccnc(N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000594604434 345658358 /nfs/dbraw/zinc/65/83/58/345658358.db2.gz ZEPHEXCFPDOJMT-UONOGXRCSA-N 0 3 256.353 2.382 20 30 CEEDHN C=CCCC[C@H](C)NCc1cc(C(=O)OC)no1 ZINC000602579410 347086715 /nfs/dbraw/zinc/08/67/15/347086715.db2.gz BBDJOHQFIZEXTJ-JTQLQIEISA-N 0 3 252.314 2.296 20 30 CEEDHN N#CC1CCN(CCC(=O)Nc2ccccc2)CC1 ZINC000057879065 362599546 /nfs/dbraw/zinc/59/95/46/362599546.db2.gz LVHMUJWIUXFGNA-UHFFFAOYSA-N 0 3 257.337 2.251 20 30 CEEDHN N#Cc1ncccc1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594596941 345655609 /nfs/dbraw/zinc/65/56/09/345655609.db2.gz BJMWJXPEVSUIOG-ZFWWWQNUSA-N 0 3 256.353 2.382 20 30 CEEDHN N#Cc1cccc(NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000594597888 345655715 /nfs/dbraw/zinc/65/57/15/345655715.db2.gz YZKLBKJFIFYLSN-INIZCTEOSA-N 0 3 271.364 2.223 20 30 CEEDHN N#Cc1ccc(CCn2cc3c(n2)[C@@H](N)CCC3)cc1 ZINC000594691714 345672741 /nfs/dbraw/zinc/67/27/41/345672741.db2.gz YVOTXOJILUATEA-HNNXBMFYSA-N 0 3 266.348 2.334 20 30 CEEDHN Cn1ncc(C2CC2)c1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000595075367 345740356 /nfs/dbraw/zinc/74/03/56/345740356.db2.gz AGZIVQANVQGOCK-WCQYABFASA-N 0 3 258.369 2.469 20 30 CEEDHN CC[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)CCCC#N ZINC000595251769 345748305 /nfs/dbraw/zinc/74/83/05/345748305.db2.gz XAFXHGJJNYLVPB-CABCVRRESA-N 0 3 291.370 2.284 20 30 CEEDHN CC[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)CCCC#N ZINC000595251772 345748324 /nfs/dbraw/zinc/74/83/24/345748324.db2.gz XAFXHGJJNYLVPB-GJZGRUSLSA-N 0 3 291.370 2.284 20 30 CEEDHN C=CCCSCCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000595255651 345749334 /nfs/dbraw/zinc/74/93/34/345749334.db2.gz HOMUREXBGGKCLR-CQSZACIVSA-N 0 3 296.411 2.294 20 30 CEEDHN C[C@H]1C[C@H](CNC(=O)[C@@H](N)CCCC#N)C[C@@H](C)C1 ZINC000595257308 345749512 /nfs/dbraw/zinc/74/95/12/345749512.db2.gz UBDHTVCVOXXUEQ-DGAVXFQQSA-N 0 3 265.401 2.196 20 30 CEEDHN N#CCCCCC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595258055 345750415 /nfs/dbraw/zinc/75/04/15/345750415.db2.gz RGANBOFGBNEYDW-HNNXBMFYSA-N 0 3 287.363 2.370 20 30 CEEDHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000594915674 345700912 /nfs/dbraw/zinc/70/09/12/345700912.db2.gz VXDAFKDJNCKORG-RBDSIQFVSA-N 0 3 272.348 2.406 20 30 CEEDHN CC[C@H]1C[C@H](NCCOc2ccc(C#N)cc2)CO1 ZINC000594929982 345706290 /nfs/dbraw/zinc/70/62/90/345706290.db2.gz QYXHFNCIAMKKQQ-KBPBESRZSA-N 0 3 260.337 2.094 20 30 CEEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)[C@@H]1CN(C)CCO1 ZINC000594932214 345707658 /nfs/dbraw/zinc/70/76/58/345707658.db2.gz WHLJMMIBGGJSJJ-YOEHRIQHSA-N 0 3 299.418 2.050 20 30 CEEDHN COc1cc(CNCCO[C@H]2CC2(F)F)ccc1C#N ZINC000594971353 345719851 /nfs/dbraw/zinc/71/98/51/345719851.db2.gz GGBZKELSHCEWTL-ZDUSSCGKSA-N 0 3 282.290 2.081 20 30 CEEDHN C=CCC1(NCc2nc(C#N)cs2)CCOCC1 ZINC000594977559 345720870 /nfs/dbraw/zinc/72/08/70/345720870.db2.gz TVONLACGIFQTBO-UHFFFAOYSA-N 0 3 263.366 2.230 20 30 CEEDHN N#Cc1ccc(CNCC(O)(C2CC2)C2CC2)s1 ZINC000594983477 345721422 /nfs/dbraw/zinc/72/14/22/345721422.db2.gz NASCIEZOMLEENZ-UHFFFAOYSA-N 0 3 262.378 2.260 20 30 CEEDHN N#Cc1ccc(CNCC(O)(C2CC2)C2CC2)cc1F ZINC000594982818 345721547 /nfs/dbraw/zinc/72/15/47/345721547.db2.gz IFWBDIWOGULOSC-UHFFFAOYSA-N 0 3 274.339 2.338 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC[C@H](CC#N)C1 ZINC000595553304 345810547 /nfs/dbraw/zinc/81/05/47/345810547.db2.gz XJSWCNOWGJBKNK-CABCVRRESA-N 0 3 294.443 2.298 20 30 CEEDHN CC[C@H](C)N(CC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000595592403 345820051 /nfs/dbraw/zinc/82/00/51/345820051.db2.gz DQRGVNBVKPRJAI-GXTWGEPZSA-N 0 3 253.390 2.161 20 30 CEEDHN CC[C@@H](C)N(CC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000595593362 345820514 /nfs/dbraw/zinc/82/05/14/345820514.db2.gz OSDWNJCWFDFJQQ-QWHCGFSZSA-N 0 3 253.390 2.115 20 30 CEEDHN CN(CCOCC1CC1)CCc1ccc(C#N)cc1 ZINC000595339437 345765061 /nfs/dbraw/zinc/76/50/61/345765061.db2.gz OUJASSVVMXFWFZ-UHFFFAOYSA-N 0 3 258.365 2.459 20 30 CEEDHN CC[C@H](CC(F)F)CN1CCN(CCC#N)CC1 ZINC000595393415 345774041 /nfs/dbraw/zinc/77/40/41/345774041.db2.gz ZYQGDVPFIXOVNX-GFCCVEGCSA-N 0 3 259.344 2.199 20 30 CEEDHN C[C@@H](NCCc1nnn(C(C)(C)C)n1)c1ccc(C#N)cc1 ZINC000595410110 345776097 /nfs/dbraw/zinc/77/60/97/345776097.db2.gz BLLJAAFKEYABSV-GFCCVEGCSA-N 0 3 298.394 2.193 20 30 CEEDHN C=CCCSCCNC(=O)NC1CCN(C2CC2)CC1 ZINC000595437156 345782667 /nfs/dbraw/zinc/78/26/67/345782667.db2.gz CVRVNGDIYXSPTG-UHFFFAOYSA-N 0 3 297.468 2.222 20 30 CEEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3cccc(N)c3)C2)nc1 ZINC000595502209 345797316 /nfs/dbraw/zinc/79/73/16/345797316.db2.gz QSGATCMAALXUTD-MRXNPFEDSA-N 0 3 294.358 2.189 20 30 CEEDHN N#Cc1ccc(CNC2(CCO)CCCC2)c([N+](=O)[O-])c1 ZINC000595508725 345799585 /nfs/dbraw/zinc/79/95/85/345799585.db2.gz KCUNXLBFTZXZAU-UHFFFAOYSA-N 0 3 289.335 2.251 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](Cn2ccnn2)C1 ZINC000595604822 345824132 /nfs/dbraw/zinc/82/41/32/345824132.db2.gz DLXDDWZMLJJQJQ-UKRRQHHQSA-N 0 3 281.363 2.233 20 30 CEEDHN N#Cc1cc(CN2C[C@@H]3C[C@H](O)CC[C@@H]3C2)ccc1F ZINC000595632847 345833153 /nfs/dbraw/zinc/83/31/53/345833153.db2.gz JMVBESIQRNBQRL-VHDGCEQUSA-N 0 3 274.339 2.290 20 30 CEEDHN CO[C@@]1(CO)CCCN(CCC2(C#N)CCCCC2)C1 ZINC000595659369 345839853 /nfs/dbraw/zinc/83/98/53/345839853.db2.gz NTURCVYIPDEUPQ-INIZCTEOSA-N 0 3 280.412 2.324 20 30 CEEDHN C[C@H](CCN1CC[C@](C)(C#N)C1)N1CC[C@@](C)(C#N)C1 ZINC000595841988 345895713 /nfs/dbraw/zinc/89/57/13/345895713.db2.gz XMMFYELABDVAFG-OAGGEKHMSA-N 0 3 274.412 2.236 20 30 CEEDHN N#Cc1cccc(C2(NCCn3ccnc3)CCOCC2)c1 ZINC000595763790 345870207 /nfs/dbraw/zinc/87/02/07/345870207.db2.gz CXMFZTYVISQGMK-UHFFFAOYSA-N 0 3 296.374 2.050 20 30 CEEDHN C=CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C(C)(C)C ZINC000595764298 345870412 /nfs/dbraw/zinc/87/04/12/345870412.db2.gz ZMVPCDVLZGHKFN-HNNXBMFYSA-N 0 3 265.401 2.327 20 30 CEEDHN C[C@H]1CN(Cc2ccc(C#N)s2)C[C@]1(C)CO ZINC000595861594 345900085 /nfs/dbraw/zinc/90/00/85/345900085.db2.gz WLPODGHQPQAKCN-GXFFZTMASA-N 0 3 250.367 2.070 20 30 CEEDHN COc1ccc(CN2C[C@H](C)[C@@](C)(CO)C2)cc1C#N ZINC000595869444 345902009 /nfs/dbraw/zinc/90/20/09/345902009.db2.gz DDKCTDDVQHPJCY-BLLLJJGKSA-N 0 3 274.364 2.017 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000595961130 345918189 /nfs/dbraw/zinc/91/81/89/345918189.db2.gz PLLKVYNIGFMHMN-CQSZACIVSA-N 0 3 296.374 2.074 20 30 CEEDHN CC1(C)C[C@@]1(NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000595991624 345921297 /nfs/dbraw/zinc/92/12/97/345921297.db2.gz DZTTWLKUZVBBDF-WMLDXEAASA-N 0 3 285.391 2.449 20 30 CEEDHN CN1CCC(Nc2nc3ncccc3cc2C#N)CC1 ZINC000596062889 345930817 /nfs/dbraw/zinc/93/08/17/345930817.db2.gz SQXOGNIJJJSZGC-UHFFFAOYSA-N 0 3 267.336 2.008 20 30 CEEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2cc(C#N)cnn2)C1 ZINC000596088277 345937030 /nfs/dbraw/zinc/93/70/30/345937030.db2.gz JTHAPXHAKWSISZ-BBRMVZONSA-N 0 3 293.374 2.018 20 30 CEEDHN C[C@@H]1C[C@H](N(C)c2nc3ncccc3cc2C#N)CCN1C ZINC000596137936 345948637 /nfs/dbraw/zinc/94/86/37/345948637.db2.gz YUADMMJRAKDYIJ-IUODEOHRSA-N 0 3 295.390 2.420 20 30 CEEDHN CCc1nc(C#N)cc(N2CCN(C(C)(C)CC)CC2)n1 ZINC000596298709 345993887 /nfs/dbraw/zinc/99/38/87/345993887.db2.gz MFHDTQNHHQXPBX-UHFFFAOYSA-N 0 3 287.411 2.221 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)NCC1(C#N)CCCCC1 ZINC000596388188 346012967 /nfs/dbraw/zinc/01/29/67/346012967.db2.gz JFIFDECGNNLBBK-AWEZNQCLSA-N 0 3 292.427 2.244 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)C1 ZINC000596483324 346035131 /nfs/dbraw/zinc/03/51/31/346035131.db2.gz ZDIBSYFPCJGEHO-CQSZACIVSA-N 0 3 272.352 2.164 20 30 CEEDHN CN(C)CCN(C(=O)c1cc(C#N)cn1C)c1ccccc1 ZINC000176955095 232341501 /nfs/dbraw/zinc/34/15/01/232341501.db2.gz MMDYEWYWGQKMLC-UHFFFAOYSA-N 0 3 296.374 2.105 20 30 CEEDHN C[C@@H](CC#N)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000596972769 346110779 /nfs/dbraw/zinc/11/07/79/346110779.db2.gz IVLNYYZBWDINBI-AWEZNQCLSA-N 0 3 273.380 2.127 20 30 CEEDHN N#CC1(c2ccc(CN(CCO)C3CC3)cc2)CC1 ZINC000596979018 346111939 /nfs/dbraw/zinc/11/19/39/346111939.db2.gz DRPPBYBESDIZFD-UHFFFAOYSA-N 0 3 256.349 2.198 20 30 CEEDHN C=CCOCCCNCc1ccc(C(=O)OC)c(F)c1 ZINC000597208645 346148966 /nfs/dbraw/zinc/14/89/66/346148966.db2.gz DYSRZIUPTQCCDP-UHFFFAOYSA-N 0 3 281.327 2.295 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)CC#N)C(C)C ZINC000597223618 346153945 /nfs/dbraw/zinc/15/39/45/346153945.db2.gz RBEGNSCVTIPQFS-HUUCEWRRSA-N 0 3 277.412 2.351 20 30 CEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000597604392 346206636 /nfs/dbraw/zinc/20/66/36/346206636.db2.gz MPEBPFRLHSMXNI-AAVRWANBSA-N 0 3 264.369 2.078 20 30 CEEDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1sccc1C#N)C2 ZINC000597712956 346219963 /nfs/dbraw/zinc/21/99/63/346219963.db2.gz AOSMTPSXQZZIDP-OAHLLOKOSA-N 0 3 289.404 2.178 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(CC#N)cc1 ZINC000597859259 346239524 /nfs/dbraw/zinc/23/95/24/346239524.db2.gz SKTBYSKANCIMOA-HNNXBMFYSA-N 0 3 285.391 2.355 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000597878415 346243853 /nfs/dbraw/zinc/24/38/53/346243853.db2.gz RHPPHOHTRUGCPW-NEPJUHHUSA-N 0 3 291.782 2.442 20 30 CEEDHN CCN1CCCC[C@@H]1C(=O)NCCc1ccc(C#N)cc1 ZINC000597892613 346246954 /nfs/dbraw/zinc/24/69/54/346246954.db2.gz YBPPQBVFDDVQEA-MRXNPFEDSA-N 0 3 285.391 2.091 20 30 CEEDHN N#CCC1CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000598035335 346272916 /nfs/dbraw/zinc/27/29/16/346272916.db2.gz LIZOJHIMXVSEFC-INIZCTEOSA-N 0 3 283.375 2.023 20 30 CEEDHN Cc1nnc(CN(C)C(=O)C(C#N)CCc2ccccc2)o1 ZINC000598097777 346289799 /nfs/dbraw/zinc/28/97/99/346289799.db2.gz OHSPZBAHUHZMKO-AWEZNQCLSA-N 0 3 298.346 2.109 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000598263196 346316163 /nfs/dbraw/zinc/31/61/63/346316163.db2.gz PZXQLIMTRKKNRT-GFCCVEGCSA-N 0 3 288.395 2.045 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000598296265 346321555 /nfs/dbraw/zinc/32/15/55/346321555.db2.gz LJJXYHUMCFMHFW-WOPDTQHZSA-N 0 3 264.369 2.389 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1(C#N)CCCCC1 ZINC000598303599 346322350 /nfs/dbraw/zinc/32/23/50/346322350.db2.gz BLBOHCWSCVAPIX-ZIAGYGMSSA-N 0 3 277.412 2.449 20 30 CEEDHN CN(CCN(C)c1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598589503 346378370 /nfs/dbraw/zinc/37/83/70/346378370.db2.gz SFXMNDULJYMABU-MRXNPFEDSA-N 0 3 289.423 2.355 20 30 CEEDHN CC[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)CCS1 ZINC000598596055 346381141 /nfs/dbraw/zinc/38/11/41/346381141.db2.gz QEIGEKQLBXANMA-VXGBXAGGSA-N 0 3 256.415 2.115 20 30 CEEDHN COC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598599233 346381809 /nfs/dbraw/zinc/38/18/09/346381809.db2.gz BBICSRDBVNEMQB-HUUCEWRRSA-N 0 3 276.380 2.264 20 30 CEEDHN C[C@H](c1ccncc1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598599849 346382112 /nfs/dbraw/zinc/38/21/12/346382112.db2.gz QSGZXEVTJPTPFJ-OCCSQVGLSA-N 0 3 261.369 2.375 20 30 CEEDHN C[C@@H]1Oc2ccccc2[C@@H]1NC[C@@H](O)CC(C)(C)C#N ZINC000598726811 346409687 /nfs/dbraw/zinc/40/96/87/346409687.db2.gz CAVGGMYHDGWORT-SLEUVZQESA-N 0 3 274.364 2.399 20 30 CEEDHN COCc1csc(CNC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598705754 346404763 /nfs/dbraw/zinc/40/47/63/346404763.db2.gz NILDXSOUXKCIMH-LBPRGKRZSA-N 0 3 282.409 2.285 20 30 CEEDHN CC(C)Oc1ncccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598716180 346406510 /nfs/dbraw/zinc/40/65/10/346406510.db2.gz ZKWQXDYJZDKLJF-AWEZNQCLSA-N 0 3 291.395 2.259 20 30 CEEDHN CC1(C)CC[C@@H](CO)N(CCOc2ccccc2C#N)C1 ZINC000598648258 346392982 /nfs/dbraw/zinc/39/29/82/346392982.db2.gz PHAHILSMUHNQNQ-HNNXBMFYSA-N 0 3 288.391 2.420 20 30 CEEDHN CC(C)(CCC#N)CNCCS(=O)(=O)c1ccccc1 ZINC000078052365 260299060 /nfs/dbraw/zinc/29/90/60/260299060.db2.gz MBWZBOBGUNINSR-UHFFFAOYSA-N 0 3 294.420 2.380 20 30 CEEDHN COC(=O)[C@H]1CCCCCN1C[C@H](C)CCC#N ZINC000602596983 347094085 /nfs/dbraw/zinc/09/40/85/347094085.db2.gz PBHSXRZUUXNYNF-CHWSQXEVSA-N 0 3 252.358 2.344 20 30 CEEDHN CC[C@@H](NC[C@H](O)CC1(C#N)CC1)c1c(C)nn(C)c1C ZINC000599358532 346506417 /nfs/dbraw/zinc/50/64/17/346506417.db2.gz DJPLBAOSFJFAKK-ZIAGYGMSSA-N 0 3 290.411 2.132 20 30 CEEDHN Cc1ccc(CN(C)[C@H](CO)COC(C)C)cc1C#N ZINC000599385018 346511193 /nfs/dbraw/zinc/51/11/93/346511193.db2.gz GOTYMUFEYJWECN-MRXNPFEDSA-N 0 3 276.380 2.084 20 30 CEEDHN Cc1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)cc1C#N ZINC000599340516 346501472 /nfs/dbraw/zinc/50/14/72/346501472.db2.gz NZTRKAMLMKKLHB-MRXNPFEDSA-N 0 3 295.390 2.370 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCCC2(CC2)CC1 ZINC000599673781 346560656 /nfs/dbraw/zinc/56/06/56/346560656.db2.gz YVXCMHJOLYBWQF-CYBMUJFWSA-N 0 3 275.396 2.203 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000600538345 346652013 /nfs/dbraw/zinc/65/20/13/346652013.db2.gz WMCMBBYCMKJQME-MWLCHTKSSA-N 0 3 295.745 2.334 20 30 CEEDHN CCC(F)(F)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000600380467 346637229 /nfs/dbraw/zinc/63/72/29/346637229.db2.gz YUKXKHFIUKFRFK-CYBMUJFWSA-N 0 3 291.301 2.402 20 30 CEEDHN CCC(C#N)C(=O)NC[C@@H](C(=O)OC)C1CCCCC1 ZINC000600409286 346638880 /nfs/dbraw/zinc/63/88/80/346638880.db2.gz NNTAUKANBPCARV-WCQYABFASA-N 0 3 280.368 2.022 20 30 CEEDHN N#Cc1cccc(Cn2cc(CNC3CCCC3)nn2)c1 ZINC000600972926 346723330 /nfs/dbraw/zinc/72/33/30/346723330.db2.gz OOFJEDKYOAMMAG-UHFFFAOYSA-N 0 3 281.363 2.230 20 30 CEEDHN CC(C)Oc1ccc(CNC[C@H](O)CC2(C#N)CC2)cn1 ZINC000600717223 346677077 /nfs/dbraw/zinc/67/70/77/346677077.db2.gz PIINLGAYPVJKMV-CQSZACIVSA-N 0 3 289.379 2.013 20 30 CEEDHN COc1cc(CNC[C@H](O)CC2(C#N)CC2)ccc1C ZINC000600720939 346678501 /nfs/dbraw/zinc/67/85/01/346678501.db2.gz RRVSUSKIARNQKW-CQSZACIVSA-N 0 3 274.364 2.148 20 30 CEEDHN COc1c(C)cccc1CNC[C@H](O)CC1(C#N)CC1 ZINC000600747793 346683773 /nfs/dbraw/zinc/68/37/73/346683773.db2.gz KQQSMQVCVFLWNG-CQSZACIVSA-N 0 3 274.364 2.148 20 30 CEEDHN N#CCC1CN(C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000600859948 346700417 /nfs/dbraw/zinc/70/04/17/346700417.db2.gz ONKNCXKBNRGXSU-HNNXBMFYSA-N 0 3 255.365 2.358 20 30 CEEDHN C[C@@H]1C[C@H](N(C)c2cc(C#N)nc(C3CC3)n2)CCN1C ZINC000601118851 346758638 /nfs/dbraw/zinc/75/86/38/346758638.db2.gz IRXFILMCMRUWHG-BXUZGUMPSA-N 0 3 285.395 2.145 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1cc(C#N)nc(C2CC2)n1 ZINC000601125513 346760981 /nfs/dbraw/zinc/76/09/81/346760981.db2.gz HNGJYXVZEJVKGJ-FZMZJTMJSA-N 0 3 285.395 2.002 20 30 CEEDHN CN1CC[C@@H]2[C@@H](CCCN2c2cc(C#N)nc(C3CC3)n2)C1 ZINC000601132199 346763833 /nfs/dbraw/zinc/76/38/33/346763833.db2.gz XWHOBOFMLQPWAD-DZGCQCFKSA-N 0 3 297.406 2.146 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)[C@H](N)CCC ZINC000236899543 370649844 /nfs/dbraw/zinc/64/98/44/370649844.db2.gz WMHLBPKEZXNOAI-CQSZACIVSA-N 0 3 264.344 2.468 20 30 CEEDHN CC(C)C[C@@H](CNC(=O)c1ccccc1CC#N)N(C)C ZINC000601163551 346774460 /nfs/dbraw/zinc/77/44/60/346774460.db2.gz JWGRLWHFQGJTFX-HNNXBMFYSA-N 0 3 287.407 2.459 20 30 CEEDHN CCN1CCCN(c2cc(C#N)nc(C3CC3)n2)[C@@H](C)C1 ZINC000601173870 346777749 /nfs/dbraw/zinc/77/77/49/346777749.db2.gz KWNNMFVCCNJJSY-LBPRGKRZSA-N 0 3 285.395 2.146 20 30 CEEDHN C[C@H](CNC(=O)C1(C#N)CC2(CC2)C1)N1CCC(C)CC1 ZINC000601020499 346733379 /nfs/dbraw/zinc/73/33/79/346733379.db2.gz ROQXDYVTYBWSFM-CQSZACIVSA-N 0 3 289.423 2.307 20 30 CEEDHN N#CCc1ccccc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000601031582 346736243 /nfs/dbraw/zinc/73/62/43/346736243.db2.gz LBXZPENQBXBHLE-OAHLLOKOSA-N 0 3 283.375 2.063 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)c1ccccc1CC#N ZINC000601038451 346737508 /nfs/dbraw/zinc/73/75/08/346737508.db2.gz PGBOOSVXAMTYSH-UHFFFAOYSA-N 0 3 285.391 2.166 20 30 CEEDHN C[C@@H](CNc1cc(C#N)nc(C2CC2)n1)N1CCC[C@@H](C)C1 ZINC000601104939 346753618 /nfs/dbraw/zinc/75/36/18/346753618.db2.gz NOORUMYDMYCMCC-OLZOCXBDSA-N 0 3 299.422 2.180 20 30 CEEDHN CC[C@H]1CN(C)CCCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000601192321 346782956 /nfs/dbraw/zinc/78/29/56/346782956.db2.gz VOABVVUTKRUJKV-ZDUSSCGKSA-N 0 3 288.351 2.387 20 30 CEEDHN CCOC(=O)C1(COC)CCN(C[C@@H](C)CCC#N)CC1 ZINC000602642847 347120017 /nfs/dbraw/zinc/12/00/17/347120017.db2.gz APSRXYXJMOQBBP-AWEZNQCLSA-N 0 3 296.411 2.218 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(C#N)n1 ZINC000602646599 347121882 /nfs/dbraw/zinc/12/18/82/347121882.db2.gz PSGZEYWVXCJGII-SWLSCSKDSA-N 0 3 257.337 2.024 20 30 CEEDHN C[C@@H](CCC#N)CN1CCCC[C@@H]1CCS(C)(=O)=O ZINC000602674757 347136714 /nfs/dbraw/zinc/13/67/14/347136714.db2.gz YTLJMBFIDYIDDZ-UONOGXRCSA-N 0 3 286.441 2.215 20 30 CEEDHN CN(Cc1cccc(C#N)n1)[C@H](CO)CC(C)(C)C ZINC000602681556 347141758 /nfs/dbraw/zinc/14/17/58/347141758.db2.gz CBRCCEQCOBHBDQ-AWEZNQCLSA-N 0 3 261.369 2.182 20 30 CEEDHN CC(C)C(=O)NC[C@@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602771415 347191583 /nfs/dbraw/zinc/19/15/83/347191583.db2.gz JALLJLUDCCAMDN-AWEZNQCLSA-N 0 3 277.412 2.164 20 30 CEEDHN C=C(C)CN1CCN(CCCOCC(F)(F)F)CC1 ZINC000064518105 362787153 /nfs/dbraw/zinc/78/71/53/362787153.db2.gz AWSOTYCZTXZZTQ-UHFFFAOYSA-N 0 3 280.334 2.149 20 30 CEEDHN C[C@@](CO)(Cc1ccc(F)cc1)NCc1cccc(C#N)n1 ZINC000602741426 347181967 /nfs/dbraw/zinc/18/19/67/347181967.db2.gz MLFBKDPVACBQTR-KRWDZBQOSA-N 0 3 299.349 2.176 20 30 CEEDHN CCn1nc(C)c(CN(C)C[C@@H](O)CC(C)(C)C#N)c1C ZINC000602927562 347249886 /nfs/dbraw/zinc/24/98/86/347249886.db2.gz WPBTWHVBFGSKSY-AWEZNQCLSA-N 0 3 292.427 2.252 20 30 CEEDHN N#Cc1ccc(C2(NC[C@@H]3CCc4ncnn43)CCC2)cc1 ZINC000602874440 347233701 /nfs/dbraw/zinc/23/37/01/347233701.db2.gz QDQWBMFHQDUVSS-HNNXBMFYSA-N 0 3 293.374 2.306 20 30 CEEDHN C[C@@H](CN(C)CC(=O)N[C@@](C)(C#N)C1CC1)C(C)(C)C ZINC000603056921 347278087 /nfs/dbraw/zinc/27/80/87/347278087.db2.gz XQQLFMBSFJXRRS-LRDDRELGSA-N 0 3 279.428 2.409 20 30 CEEDHN CC1CC(C#N)(C(=O)N2CCCN(c3ccncc3)CC2)C1 ZINC000603082583 347283368 /nfs/dbraw/zinc/28/33/68/347283368.db2.gz GJNGBASEAYVVIZ-UHFFFAOYSA-N 0 3 298.390 2.060 20 30 CEEDHN CCN1CCCN(c2ccc(C#N)cc2COC)CC1 ZINC000603297783 347331022 /nfs/dbraw/zinc/33/10/22/347331022.db2.gz VZQCVBNAABUUSS-UHFFFAOYSA-N 0 3 273.380 2.237 20 30 CEEDHN CC[C@](C)(N)c1cn(Cc2cn3ccccc3c2C#N)nn1 ZINC000603190180 347304208 /nfs/dbraw/zinc/30/42/08/347304208.db2.gz LZGCJDHKROFJNP-INIZCTEOSA-N 0 3 294.362 2.035 20 30 CEEDHN CC(C)[C@@H](N)c1cn([C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000603226945 347315669 /nfs/dbraw/zinc/31/56/69/347315669.db2.gz IQJQEXVELHOWSE-XHDPSFHLSA-N 0 3 269.352 2.415 20 30 CEEDHN CC[C@H](N)c1cn([C@H](C)c2cccc(C#N)c2)nn1 ZINC000603233259 347318053 /nfs/dbraw/zinc/31/80/53/347318053.db2.gz JAIXDSPMCDOTSS-MFKMUULPSA-N 0 3 255.325 2.169 20 30 CEEDHN COc1ccc(C#N)cc1Cn1cc([C@H](N)C(C)(C)C)nn1 ZINC000603232864 347318213 /nfs/dbraw/zinc/31/82/13/347318213.db2.gz HGPWIPUHAQZXDI-HNNXBMFYSA-N 0 3 299.378 2.253 20 30 CEEDHN N#Cc1ccccc1NC1CCN(CCn2cccn2)CC1 ZINC000609257321 347632001 /nfs/dbraw/zinc/63/20/01/347632001.db2.gz GKLXNWMJXWKICL-UHFFFAOYSA-N 0 3 295.390 2.331 20 30 CEEDHN C[C@H]1C[C@H]1c1ccc(CNC2CCN(CC#N)CC2)o1 ZINC000609335050 347635494 /nfs/dbraw/zinc/63/54/94/347635494.db2.gz RBQLIFJEIYTNKA-SWLSCSKDSA-N 0 3 273.380 2.481 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)c1cc(C#N)cs1 ZINC000610628214 347697788 /nfs/dbraw/zinc/69/77/88/347697788.db2.gz YCAFREWUECRIHT-LBPRGKRZSA-N 0 3 277.393 2.224 20 30 CEEDHN C=CCN(C[C@H](O)COc1ccc(CC#N)cc1)C1CC1 ZINC000611324611 347767049 /nfs/dbraw/zinc/76/70/49/347767049.db2.gz NNSZYALFPBQTMJ-INIZCTEOSA-N 0 3 286.375 2.143 20 30 CEEDHN CCCNC(=O)CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611390107 347772850 /nfs/dbraw/zinc/77/28/50/347772850.db2.gz CLFPHAHNCXJFRL-HNNXBMFYSA-N 0 3 271.364 2.051 20 30 CEEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@@H]1CN(C)CCO1 ZINC000611465942 347782246 /nfs/dbraw/zinc/78/22/46/347782246.db2.gz UABBHQRUCTXQRL-OZVIIMIRSA-N 0 3 291.370 2.067 20 30 CEEDHN CC[C@@H](O)[C@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000610993155 347728796 /nfs/dbraw/zinc/72/87/96/347728796.db2.gz FTQIYQSYRFBPGD-HUUCEWRRSA-N 0 3 259.353 2.079 20 30 CEEDHN N#CCN1CCC(NCc2cc(F)cc(F)c2)CC1 ZINC000611118785 347741834 /nfs/dbraw/zinc/74/18/34/347741834.db2.gz UVDPTLNOCUVCNY-UHFFFAOYSA-N 0 3 265.307 2.042 20 30 CEEDHN N#CCSCCCN1CCC[C@@H](OC(F)F)C1 ZINC000611577137 347796758 /nfs/dbraw/zinc/79/67/58/347796758.db2.gz GAIFTONIEXVTFZ-SNVBAGLBSA-N 0 3 264.341 2.337 20 30 CEEDHN CN(C)c1ccc(CN2CCC(CC#N)CC2)cn1 ZINC000611623144 347800252 /nfs/dbraw/zinc/80/02/52/347800252.db2.gz UQHAKFMNMQXCGD-UHFFFAOYSA-N 0 3 258.369 2.273 20 30 CEEDHN CC1(C)CN(CCOc2ccc(C#N)cc2)CC[C@@H]1O ZINC000336842725 365916730 /nfs/dbraw/zinc/91/67/30/365916730.db2.gz VCSYWDDDERDPKO-HNNXBMFYSA-N 0 3 274.364 2.030 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612124578 347847574 /nfs/dbraw/zinc/84/75/74/347847574.db2.gz BCLPQIZQFGBNNQ-GDBMZVCRSA-N 0 3 292.427 2.196 20 30 CEEDHN N#C[C@H](c1ccccc1)N1CCN(C[C@H]2CCCOC2)CC1 ZINC000336854473 365927589 /nfs/dbraw/zinc/92/75/89/365927589.db2.gz DZPRVMVPUPSTAE-SJLPKXTDSA-N 0 3 299.418 2.295 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)/C=C\CN(C)C ZINC000493493679 290835305 /nfs/dbraw/zinc/83/53/05/290835305.db2.gz ZWYUDGNOAOVLBU-OYVUYXNMSA-N 0 3 271.364 2.195 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CCCN(C)C[C@H]1CC)OCC ZINC000614333013 348180912 /nfs/dbraw/zinc/18/09/12/348180912.db2.gz YIQJHQPEAFBSSM-CABCVRRESA-N 0 3 282.428 2.300 20 30 CEEDHN CN(C)C1(CNC(=O)C2(c3ccc(C#N)cc3)CC2)CCC1 ZINC000615141732 348288173 /nfs/dbraw/zinc/28/81/73/348288173.db2.gz UJLDAWDWJPHOAY-UHFFFAOYSA-N 0 3 297.402 2.190 20 30 CEEDHN Cc1c([C@@H](C)NC2CCN(CC#N)CC2)cnn1C(C)C ZINC000615756429 348386924 /nfs/dbraw/zinc/38/69/24/348386924.db2.gz JXMVHGIIDGIANW-CYBMUJFWSA-N 0 3 289.427 2.411 20 30 CEEDHN CC(C)[C@H](N[C@H]1CCC[C@@H](C#N)C1)C(=O)N1CCCC1 ZINC000618571650 348978821 /nfs/dbraw/zinc/97/88/21/348978821.db2.gz FSOWLOMLOJKGKR-ILXRZTDVSA-N 0 3 277.412 2.305 20 30 CEEDHN C[C@H]1C[C@H](Nc2cncc(C#N)n2)CN1Cc1ccccc1 ZINC000401185903 233180642 /nfs/dbraw/zinc/18/06/42/233180642.db2.gz FAIAWHHLMZANAK-ZFWWWQNUSA-N 0 3 293.374 2.423 20 30 CEEDHN C=CCC1(NC(=O)CN2CC[C@H](C)C2)CCCC1 ZINC000619111325 349121860 /nfs/dbraw/zinc/12/18/60/349121860.db2.gz ZDEZBUKUWFIGHM-ZDUSSCGKSA-N 0 3 250.386 2.333 20 30 CEEDHN N#Cc1ccc(OCCN[C@@H](CO)c2ccsc2)cc1 ZINC000352033152 219297164 /nfs/dbraw/zinc/29/71/64/219297164.db2.gz QUZYCQCDLSQLSW-HNNXBMFYSA-N 0 3 288.372 2.322 20 30 CEEDHN C=CCNC(=O)CN(C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000090620442 180013745 /nfs/dbraw/zinc/01/37/45/180013745.db2.gz HYAVMRFJYQUALB-CQSZACIVSA-N 0 3 290.407 2.108 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(C)nc2)CC1 ZINC000106035871 186099278 /nfs/dbraw/zinc/09/92/78/186099278.db2.gz GRVONNSKTYCENH-UHFFFAOYSA-N 0 3 287.407 2.089 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)C1=COCCC1)C(C)C 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366601071 /nfs/dbraw/zinc/60/10/71/366601071.db2.gz XXVABKIHTITZQP-UHFFFAOYSA-N 0 3 287.363 2.309 20 30 CEEDHN CC[C@@H](C(=O)NC1(c2cccc(C#N)c2)CC1)N(C)C ZINC000298160911 200348199 /nfs/dbraw/zinc/34/81/99/200348199.db2.gz DPPWOYVMKNAHPH-AWEZNQCLSA-N 0 3 271.364 2.004 20 30 CEEDHN C=CCC[C@@H](O)CN(C)C[C@@H]1COc2ccccc2O1 ZINC000178029102 189087246 /nfs/dbraw/zinc/08/72/46/189087246.db2.gz CKJRLGNRSWRWPX-ZIAGYGMSSA-N 0 3 277.364 2.085 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C/c2cncc(C)c2)CC1 ZINC000178488327 189120618 /nfs/dbraw/zinc/12/06/18/189120618.db2.gz PQQMDIDRPWPLPJ-SNAWJCMRSA-N 0 3 285.391 2.170 20 30 CEEDHN C=CCOc1ccc(CN(C)CCC(=O)NC)cc1Cl ZINC000179407724 189191771 /nfs/dbraw/zinc/19/17/71/189191771.db2.gz SRIWCKPOMOHRPX-UHFFFAOYSA-N 0 3 296.798 2.473 20 30 CEEDHN CC(C)[C@H](CO)CNCc1ccc(C#N)cc1F ZINC000342217839 216264055 /nfs/dbraw/zinc/26/40/55/216264055.db2.gz YWHQGSINTAUKFG-ZDUSSCGKSA-N 0 3 250.317 2.051 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000677047072 540976023 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CN(Cc1ccc(F)c(C#N)c1)[C@H]1CC[C@H](O)CC1 ZINC000275809522 193135861 /nfs/dbraw/zinc/13/58/61/193135861.db2.gz HRTJUYJXKMWWMM-HDJSIYSDSA-N 0 3 262.328 2.433 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1sccc1C#N ZINC000120661361 365457454 /nfs/dbraw/zinc/45/74/54/365457454.db2.gz ZYKVNPCZSMWROX-JQWIXIFHSA-N 0 3 277.393 2.032 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000336148600 365476775 /nfs/dbraw/zinc/47/67/75/365476775.db2.gz RQBYEQVIUVEJDG-BBRMVZONSA-N 0 3 298.390 2.425 20 30 CEEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000120836444 365482700 /nfs/dbraw/zinc/48/27/00/365482700.db2.gz WBUPOJITBGGTGX-CQSZACIVSA-N 0 3 288.395 2.271 20 30 CEEDHN C=CCOc1ccccc1CN1CCC(CC(N)=O)CC1 ZINC000159771000 366946372 /nfs/dbraw/zinc/94/63/72/366946372.db2.gz WCTRHEWUFLGVEI-UHFFFAOYSA-N 0 3 288.391 2.339 20 30 CEEDHN C=CCC[C@@H](NCCNS(=O)(=O)CC)c1ccccc1 ZINC000159940218 366961047 /nfs/dbraw/zinc/96/10/47/366961047.db2.gz QHINVHPUFPZFQT-OAHLLOKOSA-N 0 3 296.436 2.223 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CCCC[C@H]1CN(C)C ZINC000583122158 367003297 /nfs/dbraw/zinc/00/32/97/367003297.db2.gz JIUXVACQUMLZKP-LBPRGKRZSA-N 0 3 275.352 2.016 20 30 CEEDHN CC[C@@H](C)CN(C)CC(=O)NCc1cccc(C#N)c1 ZINC000341026259 367139872 /nfs/dbraw/zinc/13/98/72/367139872.db2.gz KIJZWSCWHFOLGA-CYBMUJFWSA-N 0 3 273.380 2.152 20 30 CEEDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC000572420087 299366926 /nfs/dbraw/zinc/36/69/26/299366926.db2.gz JHNDJINRGDZRFO-ZJUUUORDSA-N 0 3 266.366 2.297 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc(C#N)s1 ZINC000572420085 299367121 /nfs/dbraw/zinc/36/71/21/299367121.db2.gz JHNDJINRGDZRFO-UWVGGRQHSA-N 0 3 266.366 2.297 20 30 CEEDHN CCCC[C@@H](CC)CN1CCN(C(=O)CC#N)CC1 ZINC000584477772 367164226 /nfs/dbraw/zinc/16/42/26/367164226.db2.gz UXDMWOZQDXFLKQ-CQSZACIVSA-N 0 3 265.401 2.261 20 30 CEEDHN CCN(CC)[C@H](CNC(=O)[C@H](C)C#N)c1ccsc1 ZINC000357834050 370831070 /nfs/dbraw/zinc/83/10/70/370831070.db2.gz QHTNNGCGLFPWGO-DGCLKSJQSA-N 0 3 279.409 2.407 20 30 CEEDHN N#CCCCOc1cccc(CNC[C@H](O)C2CC2)c1 ZINC000341159173 367199864 /nfs/dbraw/zinc/19/98/64/367199864.db2.gz NOJDRWBEXXASLM-INIZCTEOSA-N 0 3 274.364 2.230 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000628733774 367245856 /nfs/dbraw/zinc/24/58/56/367245856.db2.gz WVPWWIDEZSNWNP-SJCJKPOMSA-N 0 3 298.342 2.173 20 30 CEEDHN Cc1cc(CN[C@@H](CO)C[C@@H](O)C(C)(C)C)ccc1C#N ZINC000341253095 367248056 /nfs/dbraw/zinc/24/80/56/367248056.db2.gz JHYFMQJKDUHQSW-HZPDHXFCSA-N 0 3 290.407 2.114 20 30 CEEDHN N#Cc1cccc(CCNCc2cncc(F)c2)c1 ZINC000341493857 367356501 /nfs/dbraw/zinc/35/65/01/367356501.db2.gz XAXVHMFRKQGOIL-UHFFFAOYSA-N 0 3 255.296 2.425 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000341367361 367307384 /nfs/dbraw/zinc/30/73/84/367307384.db2.gz HPUQPBGSBADSEJ-KKUMJFAQSA-N 0 3 279.428 2.467 20 30 CEEDHN C[C@@H]1CSC[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000342299613 367399331 /nfs/dbraw/zinc/39/93/31/367399331.db2.gz BTPTVSDNVWQIRR-BYCMXARLSA-N 0 3 299.399 2.108 20 30 CEEDHN N#CCCCN(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245711827 370861816 /nfs/dbraw/zinc/86/18/16/370861816.db2.gz ZOZGTHHEJYTWAX-STQMWFEESA-N 0 3 254.399 2.277 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000342705175 367492015 /nfs/dbraw/zinc/49/20/15/367492015.db2.gz ZXTYHTZFCLUBHN-KCXAZCMYSA-N 0 3 288.391 2.079 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC[C@H]1CCCO1 ZINC000342611438 367450766 /nfs/dbraw/zinc/45/07/66/367450766.db2.gz XYDGKVPKRUHSIS-HUUCEWRRSA-N 0 3 282.428 2.300 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cccnc2C)CC1 ZINC000170982745 367458537 /nfs/dbraw/zinc/45/85/37/367458537.db2.gz WXWRSYHIPPHMAM-UHFFFAOYSA-N 0 3 273.380 2.160 20 30 CEEDHN CSC[C@@H](C)NCc1cnc2ccc(C#N)cn12 ZINC000342796975 367541574 /nfs/dbraw/zinc/54/15/74/367541574.db2.gz MEVILNZVSFKTQJ-SNVBAGLBSA-N 0 3 260.366 2.047 20 30 CEEDHN C=CCCN(C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000342739336 367509665 /nfs/dbraw/zinc/50/96/65/367509665.db2.gz VTNJVHUNFGDGJY-NSHDSACASA-N 0 3 278.318 2.295 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000171727345 367604239 /nfs/dbraw/zinc/60/42/39/367604239.db2.gz ZHYSAMLQFOWPGI-UHFFFAOYSA-N 0 3 295.364 2.037 20 30 CEEDHN N#Cc1ccccc1CN1CCN(CC2CCOCC2)CC1 ZINC000172425569 367742096 /nfs/dbraw/zinc/74/20/96/367742096.db2.gz FQERIFCTJNLQQN-UHFFFAOYSA-N 0 3 299.418 2.102 20 30 CEEDHN CN(CC1(C#N)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000343302808 367748145 /nfs/dbraw/zinc/74/81/45/367748145.db2.gz MSEIJCOSUXFXON-INIZCTEOSA-N 0 3 269.392 2.496 20 30 CEEDHN C=CCOc1ccc(C(=O)NCC2=CCN(C)CC2)cc1 ZINC000343354903 367769283 /nfs/dbraw/zinc/76/92/83/367769283.db2.gz YLQHGCNJVGDLGS-UHFFFAOYSA-N 0 3 286.375 2.243 20 30 CEEDHN CCc1ccc(NC(=O)C(C#N)c2ccncn2)cc1 ZINC000358054509 370887418 /nfs/dbraw/zinc/88/74/18/370887418.db2.gz LCGAORBLQLZTHS-CYBMUJFWSA-N 0 3 266.304 2.285 20 30 CEEDHN Cc1ccccc1NC(=O)C(C#N)c1ccncn1 ZINC000358060566 370889477 /nfs/dbraw/zinc/88/94/77/370889477.db2.gz SPHZDEKIRJQRAZ-LLVKDONJSA-N 0 3 252.277 2.031 20 30 CEEDHN CCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](C)C(C)C ZINC000343518725 367859333 /nfs/dbraw/zinc/85/93/33/367859333.db2.gz HBGDYBKAOVVPCP-DOMZBBRYSA-N 0 3 265.401 2.161 20 30 CEEDHN N#CCc1ccc(CN2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000343563482 367886883 /nfs/dbraw/zinc/88/68/83/367886883.db2.gz ZGXJKBUGTYCIBG-GOSISDBHSA-N 0 3 299.418 2.049 20 30 CEEDHN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)CCCN1C ZINC000343589459 367901666 /nfs/dbraw/zinc/90/16/66/367901666.db2.gz GWFKPALCOALHGG-GXFFZTMASA-N 0 3 274.324 2.361 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N(CC#N)C1CCCC1 ZINC000343662522 367943817 /nfs/dbraw/zinc/94/38/17/367943817.db2.gz RGAYCPGPYMJKEL-CHWSQXEVSA-N 0 3 263.385 2.154 20 30 CEEDHN N#Cc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1 ZINC000174310142 368009456 /nfs/dbraw/zinc/00/94/56/368009456.db2.gz DISIGBIVMWGPJQ-HNNXBMFYSA-N 0 3 282.347 2.036 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N1CCN(C)CC[C@@H]1C ZINC000343812046 368017055 /nfs/dbraw/zinc/01/70/55/368017055.db2.gz KEYXMYRTTXTUJX-KGLIPLIRSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC23CC3)CC1 ZINC000633043030 368032118 /nfs/dbraw/zinc/03/21/18/368032118.db2.gz XUCUCSMOHMJJDO-AWEZNQCLSA-N 0 3 277.412 2.269 20 30 CEEDHN C=CC1CCN(C(=O)NC[C@H]2CCCN2CC)CC1 ZINC000175393469 368133575 /nfs/dbraw/zinc/13/35/75/368133575.db2.gz ZAUOVICQGHCUKR-CQSZACIVSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CCCCC(=O)NC1CCN(CC(=C)C)CC1 ZINC000175588415 368153212 /nfs/dbraw/zinc/15/32/12/368153212.db2.gz DWBJXUVNWCZTFZ-UHFFFAOYSA-N 0 3 250.386 2.499 20 30 CEEDHN CC(C)CN1CCO[C@H](CNCc2ccc(C#N)s2)C1 ZINC000176942451 368255001 /nfs/dbraw/zinc/25/50/01/368255001.db2.gz XZSDPJOMUAWPHL-CYBMUJFWSA-N 0 3 293.436 2.066 20 30 CEEDHN Cc1nn(C)c(C)c1CCNCc1ccc(C#N)s1 ZINC000176944989 368256554 /nfs/dbraw/zinc/25/65/54/368256554.db2.gz CSSDUQVSSBOTNX-UHFFFAOYSA-N 0 3 274.393 2.302 20 30 CEEDHN CC[C@@](C)(O)CN(CC#CCOC)Cc1ccccc1 ZINC000682223485 541646290 /nfs/dbraw/zinc/64/62/90/541646290.db2.gz FKHSWGSHRGZNLQ-QGZVFWFLSA-N 0 3 275.392 2.299 20 30 CEEDHN CN(C)CCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000180629315 368389823 /nfs/dbraw/zinc/38/98/23/368389823.db2.gz VIHNPORAQUWYRZ-UHFFFAOYSA-N 0 3 274.368 2.171 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cnn(CCC)c2)CC1 ZINC000180942947 368405027 /nfs/dbraw/zinc/40/50/27/368405027.db2.gz MCSIBMMBYAEMMV-UHFFFAOYSA-N 0 3 290.411 2.063 20 30 CEEDHN N#CC(C(=O)c1cnn(CC(F)(F)F)c1)c1ccccn1 ZINC000682497287 541671303 /nfs/dbraw/zinc/67/13/03/541671303.db2.gz FKDNTQGEMCLOIU-SNVBAGLBSA-N 0 3 294.236 2.330 20 30 CEEDHN Cc1noc(CCN[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000181927283 368506427 /nfs/dbraw/zinc/50/64/27/368506427.db2.gz CLBBJYLSHCSFAM-JTQLQIEISA-N 0 3 256.309 2.143 20 30 CEEDHN CC#CCCCC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000347289963 368804639 /nfs/dbraw/zinc/80/46/39/368804639.db2.gz UTYGMWHOEFDNEG-OAHLLOKOSA-N 0 3 262.397 2.313 20 30 CEEDHN CC#CCCCC(=O)N1CCCC[C@H]1CN(C)C ZINC000185292898 368781530 /nfs/dbraw/zinc/78/15/30/368781530.db2.gz SQNFQBCMGPXUJS-AWEZNQCLSA-N 0 3 250.386 2.123 20 30 CEEDHN C=CCOCCCN1CCSC2(CCOCC2)C1 ZINC000348037373 368867761 /nfs/dbraw/zinc/86/77/61/368867761.db2.gz QTUDHOVWSJVDMT-UHFFFAOYSA-N 0 3 271.426 2.177 20 30 CEEDHN C#C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000185997324 368901404 /nfs/dbraw/zinc/90/14/04/368901404.db2.gz CVZAENUAGNKFQF-JKSUJKDBSA-N 0 3 299.418 2.314 20 30 CEEDHN C=C(CC)CN(C)C[C@H]1C[C@@H](F)CN1Cc1ccnn1C ZINC000348112453 368903551 /nfs/dbraw/zinc/90/35/51/368903551.db2.gz FWNRNDFVXVCGTD-GDBMZVCRSA-N 0 3 294.418 2.231 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000186124549 368922827 /nfs/dbraw/zinc/92/28/27/368922827.db2.gz KLVSMZDGHWWQOD-TZMCWYRMSA-N 0 3 293.436 2.452 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)c1nc(Cl)c(C#N)s1 ZINC000287279669 376194368 /nfs/dbraw/zinc/19/43/68/376194368.db2.gz LPYXOTNTLYBLRZ-SECBINFHSA-N 0 3 284.816 2.446 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)/C=C/c1cccc(C#N)c1 ZINC000186780432 369041715 /nfs/dbraw/zinc/04/17/15/369041715.db2.gz TWTXBELUDFMFLZ-RMKNXTFCSA-N 0 3 283.375 2.124 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNCc1ccon1)C(C)C ZINC000634951666 368985928 /nfs/dbraw/zinc/98/59/28/368985928.db2.gz CQEQIDSPJJOFRN-HNNXBMFYSA-N 0 3 263.385 2.463 20 30 CEEDHN C[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)N(C)C1CC1 ZINC000186534475 368990431 /nfs/dbraw/zinc/99/04/31/368990431.db2.gz PCFTZWXFIXCHQR-ZDUSSCGKSA-N 0 3 297.402 2.189 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](COCC)C(C)C ZINC000348438889 369046073 /nfs/dbraw/zinc/04/60/73/369046073.db2.gz GXVAHNGOCHPEEQ-LSDHHAIUSA-N 0 3 284.444 2.450 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000348535348 369075136 /nfs/dbraw/zinc/07/51/36/369075136.db2.gz XRFSOTKPYTWFOC-ZWUHOBOKSA-N 0 3 288.391 2.220 20 30 CEEDHN CC(C)[C@@H]1CN(C)CCN1Cc1cc(C#N)ccc1F ZINC000348574907 369094052 /nfs/dbraw/zinc/09/40/52/369094052.db2.gz HJXYYGLUWDCPHK-INIZCTEOSA-N 0 3 275.371 2.469 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2CCN(CC3CC3)C2)CCC1 ZINC000682893271 541731753 /nfs/dbraw/zinc/73/17/53/541731753.db2.gz BYHRQRVTYJBZHN-AWEZNQCLSA-N 0 3 262.397 2.333 20 30 CEEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H](O)CSC ZINC000187826140 369230647 /nfs/dbraw/zinc/23/06/47/369230647.db2.gz VMCBSVSPEBOHHN-HNNXBMFYSA-N 0 3 278.421 2.494 20 30 CEEDHN CN(C)C1(CN(C)C(=O)c2cscc2C#N)CCC1 ZINC000349080828 369237895 /nfs/dbraw/zinc/23/78/95/369237895.db2.gz QXEKZHYLULFMFB-UHFFFAOYSA-N 0 3 277.393 2.176 20 30 CEEDHN C[C@@]1(CCCO)CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000349196969 369263500 /nfs/dbraw/zinc/26/35/00/369263500.db2.gz VKVXHEKXDAWRGA-KRWDZBQOSA-N 0 3 298.390 2.333 20 30 CEEDHN COCCOc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000349806759 369405608 /nfs/dbraw/zinc/40/56/08/369405608.db2.gz ZJQHIQGHMMEXOP-CABCVRRESA-N 0 3 274.364 2.494 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@@H](OCCOC)C2)c1 ZINC000188809009 369412238 /nfs/dbraw/zinc/41/22/38/369412238.db2.gz WRRUIUBVMDSRPT-QGZVFWFLSA-N 0 3 291.391 2.489 20 30 CEEDHN CC#CCCCC(=O)N(CCCOC)C1CCN(C)CC1 ZINC000358223971 370957662 /nfs/dbraw/zinc/95/76/62/370957662.db2.gz BHGYNYXSIRDINJ-UHFFFAOYSA-N 0 3 294.439 2.139 20 30 CEEDHN C=CCCN(C)C(=O)c1ccccc1OCCN(C)C ZINC000276167514 193231402 /nfs/dbraw/zinc/23/14/02/193231402.db2.gz RWPXEGOPIBLUEI-UHFFFAOYSA-N 0 3 276.380 2.275 20 30 CEEDHN CCOCCOCCN(C)Cc1ccc(OC)c(C#N)c1 ZINC000190258509 369609303 /nfs/dbraw/zinc/60/93/03/369609303.db2.gz TXYYUNXWOHABJR-UHFFFAOYSA-N 0 3 292.379 2.052 20 30 CEEDHN C=CCCCCNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000351644223 369647319 /nfs/dbraw/zinc/64/73/19/369647319.db2.gz JTGLMZVHJJCFIN-JSGCOSHPSA-N 0 3 265.401 2.125 20 30 CEEDHN Cc1ccc([C@@H](O)CNCc2cc(C#N)n(C)c2)cc1 ZINC000190846865 369656232 /nfs/dbraw/zinc/65/62/32/369656232.db2.gz DXPKDLZLTBFCPZ-INIZCTEOSA-N 0 3 269.348 2.028 20 30 CEEDHN C=CCCN(C)CC(=O)N1CCc2ccccc2C1 ZINC000276505042 193359287 /nfs/dbraw/zinc/35/92/87/193359287.db2.gz WQYWORRXILSCAW-UHFFFAOYSA-N 0 3 258.365 2.079 20 30 CEEDHN CCCCN(C)CCNC(=O)c1cccc(CC#N)c1 ZINC000352378548 369698675 /nfs/dbraw/zinc/69/86/75/369698675.db2.gz OETGPNRETDMTQC-UHFFFAOYSA-N 0 3 273.380 2.214 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(CC=C)CCC2)CC1 ZINC000191365831 369706318 /nfs/dbraw/zinc/70/63/18/369706318.db2.gz XWZLKHBHVWUDDC-UHFFFAOYSA-N 0 3 262.397 2.499 20 30 CEEDHN CC#CCCNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000637058944 369805644 /nfs/dbraw/zinc/80/56/44/369805644.db2.gz SPSBCOYNRJWFOH-QGZVFWFLSA-N 0 3 299.418 2.282 20 30 CEEDHN N#CCSCCCN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352669575 369826728 /nfs/dbraw/zinc/82/67/28/369826728.db2.gz AYYFKZJKIZDEHJ-GHMZBOCLSA-N 0 3 296.358 2.126 20 30 CEEDHN N#CCCCCN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352675033 369831378 /nfs/dbraw/zinc/83/13/78/369831378.db2.gz CSIVCANGLGMOOJ-QWRGUYRKSA-N 0 3 264.291 2.173 20 30 CEEDHN C=CCOc1cccc(CNCC2(C)OCCCO2)c1 ZINC000192252618 369787084 /nfs/dbraw/zinc/78/70/84/369787084.db2.gz UCOPGQFSRYFNNJ-UHFFFAOYSA-N 0 3 277.364 2.494 20 30 CEEDHN COc1cc(OCCN2CCCCC2)ccc1C#N ZINC000194512731 370046332 /nfs/dbraw/zinc/04/63/32/370046332.db2.gz RUBBNRZVSFKHLK-UHFFFAOYSA-N 0 3 260.337 2.432 20 30 CEEDHN COc1cc(CN[C@H]2CSC[C@H]2C)ccc1C#N ZINC000353018688 369983887 /nfs/dbraw/zinc/98/38/87/369983887.db2.gz NHEZDNHBSCCNKD-MFKMUULPSA-N 0 3 262.378 2.408 20 30 CEEDHN N#Cc1ccccc1OCCN1CC[C@@H](COC(F)F)C1 ZINC000353026340 369989717 /nfs/dbraw/zinc/98/97/17/369989717.db2.gz JWPQFNISNUGBMQ-GFCCVEGCSA-N 0 3 296.317 2.498 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1N(C)CC(=O)N(CCC#N)CCC#N ZINC000193959571 369995224 /nfs/dbraw/zinc/99/52/24/369995224.db2.gz KFCIAKDSGOMQKF-CABCVRRESA-N 0 3 290.411 2.153 20 30 CEEDHN CC(=O)NCCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000194538008 370049175 /nfs/dbraw/zinc/04/91/75/370049175.db2.gz CPJLSXUUIKGLDX-UHFFFAOYSA-N 0 3 271.364 2.049 20 30 CEEDHN CC#CCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000353924641 370138957 /nfs/dbraw/zinc/13/89/57/370138957.db2.gz JKBWQJNVBHRLHY-UHFFFAOYSA-N 0 3 270.376 2.426 20 30 CEEDHN C[C@@H](NCCN1CCSCC1)c1cccc(C#N)c1 ZINC000223732159 370270403 /nfs/dbraw/zinc/27/04/03/370270403.db2.gz MXSQZLQGVUTGFK-CYBMUJFWSA-N 0 3 275.421 2.258 20 30 CEEDHN COc1cc(CNC[C@@H](O)CC(C)(C)C)ccc1C#N ZINC000226099356 370329036 /nfs/dbraw/zinc/32/90/36/370329036.db2.gz BXIZLVLKRUHQKY-AWEZNQCLSA-N 0 3 276.380 2.454 20 30 CEEDHN C[C@@]1(O)CCCN(CCOc2ccc(C#N)cc2)CC1 ZINC000230352440 370453591 /nfs/dbraw/zinc/45/35/91/370453591.db2.gz MBLUWUBWPYXGNH-MRXNPFEDSA-N 0 3 274.364 2.174 20 30 CEEDHN COc1cc(CN(C)C[C@H]2CCCOC2)ccc1C#N ZINC000234926844 370549899 /nfs/dbraw/zinc/54/98/99/370549899.db2.gz DDXKZGGHMBNFFU-CQSZACIVSA-N 0 3 274.364 2.425 20 30 CEEDHN C=CCC1(C(=O)N2CCO[C@@H]3CCN(CC)C[C@H]32)CCC1 ZINC000355368323 370555107 /nfs/dbraw/zinc/55/51/07/370555107.db2.gz LEOBUZMLQHYZTA-HUUCEWRRSA-N 0 3 292.423 2.054 20 30 CEEDHN C=C(C)CN1CCC(NCc2cnc(OC)s2)CC1 ZINC000638525392 370591775 /nfs/dbraw/zinc/59/17/75/370591775.db2.gz XKBOFYKZTSNDHR-UHFFFAOYSA-N 0 3 281.425 2.282 20 30 CEEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000355780918 370615383 /nfs/dbraw/zinc/61/53/83/370615383.db2.gz JFTLCETYYDEAQL-OQMKEHIESA-N 0 3 277.412 2.161 20 30 CEEDHN CCS[C@@H]1CCCCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000246680855 370993030 /nfs/dbraw/zinc/99/30/30/370993030.db2.gz VLCOFNNAHDJSGR-ZIAGYGMSSA-N 0 3 297.468 2.355 20 30 CEEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(CC(=O)N(CCC#N)CCC#N)C1 ZINC000355781765 370614332 /nfs/dbraw/zinc/61/43/32/370614332.db2.gz KUKWVRIIVAIFSE-QLFBSQMISA-N 0 3 290.411 2.009 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000358320339 371011449 /nfs/dbraw/zinc/01/14/49/371011449.db2.gz ZVCODWZOISYTDC-AWEZNQCLSA-N 0 3 292.427 2.196 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(CC)CCC)CC1 ZINC000358383545 371042243 /nfs/dbraw/zinc/04/22/43/371042243.db2.gz PIUZREGMHKUNDS-UHFFFAOYSA-N 0 3 267.417 2.468 20 30 CEEDHN C=CC[C@H](C)NC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000247194304 371075471 /nfs/dbraw/zinc/07/54/71/371075471.db2.gz SQIMDQFSEGEUKG-MELADBBJSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000574378823 335014301 /nfs/dbraw/zinc/01/43/01/335014301.db2.gz ZKSYGLFCSSKOGT-CYBMUJFWSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)N[C@H](C)CN(C)C ZINC000358534316 371106927 /nfs/dbraw/zinc/10/69/27/371106927.db2.gz VSNQNYQSNXMTID-GFCCVEGCSA-N 0 3 281.425 2.396 20 30 CEEDHN COCCOCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000358570714 371122354 /nfs/dbraw/zinc/12/23/54/371122354.db2.gz NZDJPQJRPHRUOY-GFCCVEGCSA-N 0 3 280.343 2.401 20 30 CEEDHN CC(C)N1CCCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000358699057 371180822 /nfs/dbraw/zinc/18/08/22/371180822.db2.gz UTFHEARDXDRWFW-UHFFFAOYSA-N 0 3 294.443 2.442 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000248607702 371220841 /nfs/dbraw/zinc/22/08/41/371220841.db2.gz DJRVKXQLFKWIBU-GJZGRUSLSA-N 0 3 283.412 2.367 20 30 CEEDHN C=CCNC(=O)CN[C@](C)(CC)c1ccc(F)cc1 ZINC000639930096 371680537 /nfs/dbraw/zinc/68/05/37/371680537.db2.gz SWVSSSFUYBIQAS-OAHLLOKOSA-N 0 3 264.344 2.343 20 30 CEEDHN C=CCN(CCN1CCCOCC1)Cc1cccs1 ZINC000361296864 371766922 /nfs/dbraw/zinc/76/69/22/371766922.db2.gz PVCLLCYTRBHIMJ-UHFFFAOYSA-N 0 3 280.437 2.458 20 30 CEEDHN CC#CCCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000361525504 371899176 /nfs/dbraw/zinc/89/91/76/371899176.db2.gz NEWSXGRXNVLGEN-RDJZCZTQSA-N 0 3 299.418 2.362 20 30 CEEDHN CC#CCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000361530874 371902395 /nfs/dbraw/zinc/90/23/95/371902395.db2.gz MIKVMBWKLGPYSP-JKSUJKDBSA-N 0 3 285.391 2.144 20 30 CEEDHN Cn1cc(CN(CCO)CC2CCCCC2)cc1C#N ZINC000361613152 371978236 /nfs/dbraw/zinc/97/82/36/371978236.db2.gz WYIKBDMYXGMGSU-UHFFFAOYSA-N 0 3 275.396 2.271 20 30 CEEDHN C=CCOc1ccc(CN2C[C@H](CO)[C@H](C)C2)cc1OC ZINC000361658713 372010184 /nfs/dbraw/zinc/01/01/84/372010184.db2.gz YEMZZUSABIZHLL-UKRRQHHQSA-N 0 3 291.391 2.320 20 30 CEEDHN C#CCN(CC)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000268175000 372089415 /nfs/dbraw/zinc/08/94/15/372089415.db2.gz RJYVERYTECAQNB-WBVHZDCISA-N 0 3 299.418 2.314 20 30 CEEDHN COC(=O)CCN(Cc1ccc(C#N)c(F)c1)C(C)C ZINC000361837465 372092894 /nfs/dbraw/zinc/09/28/94/372092894.db2.gz MCHKSTMLUBBLTH-UHFFFAOYSA-N 0 3 278.327 2.471 20 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C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCOC3(CCC3)C2)CCN1C ZINC000330210702 377068967 /nfs/dbraw/zinc/06/89/67/377068967.db2.gz IOWZLIHASUGFRX-MGPQQGTHSA-N 0 3 295.427 2.074 20 30 CEEDHN CC#CCN(CCC(=O)OC(C)(C)C)C1CCOCC1 ZINC000563069456 377083797 /nfs/dbraw/zinc/08/37/97/377083797.db2.gz WIDQWWNFXYJDKM-UHFFFAOYSA-N 0 3 281.396 2.223 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C(N)=O)CC[C@H]1C ZINC000330591424 377195364 /nfs/dbraw/zinc/19/53/64/377195364.db2.gz QWNNPJOZEIMJGV-CHWSQXEVSA-N 0 3 281.400 2.047 20 30 CEEDHN Cc1nsc(N2CC[C@]3(C2)CCCN(C)C3)c1C#N ZINC000292863415 377320530 /nfs/dbraw/zinc/32/05/30/377320530.db2.gz SHMQJJBHRBRWMT-CQSZACIVSA-N 0 3 276.409 2.245 20 30 CEEDHN C#CCN(C)CCCNc1nc2cc(F)ccc2o1 ZINC000292809814 377293471 /nfs/dbraw/zinc/29/34/71/377293471.db2.gz NZHFOSMXJHKVPO-UHFFFAOYSA-N 0 3 261.300 2.334 20 30 CEEDHN C#CCN(C)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000292964181 377372220 /nfs/dbraw/zinc/37/22/20/377372220.db2.gz MHGQOZSLBJAGMG-QGZVFWFLSA-N 0 3 299.418 2.172 20 30 CEEDHN C=CC[C@@H](C(=O)NCCOCCN(C)C)c1ccccc1 ZINC000428046935 377480545 /nfs/dbraw/zinc/48/05/45/377480545.db2.gz HPIUOGIDUFAPNS-MRXNPFEDSA-N 0 3 290.407 2.041 20 30 CEEDHN CC(C)N(CC(=O)NCC#N)[C@@H](C)c1ccccc1 ZINC000428853962 377500630 /nfs/dbraw/zinc/50/06/30/377500630.db2.gz ZNECOVMASXPZDW-ZDUSSCGKSA-N 0 3 259.353 2.098 20 30 CEEDHN COC(=O)C[C@](C)(NCCCCC#N)c1ccccn1 ZINC000429672481 377517369 /nfs/dbraw/zinc/51/73/69/377517369.db2.gz NUUFKXUPFYHJPW-HNNXBMFYSA-N 0 3 275.352 2.143 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1cc(C(=O)OC)c(C)o1 ZINC000429705733 377519434 /nfs/dbraw/zinc/51/94/34/377519434.db2.gz DOPLRTBCGLVANL-UHFFFAOYSA-N 0 3 294.395 2.314 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1nccc(C#N)c1Cl ZINC000429189570 377512547 /nfs/dbraw/zinc/51/25/47/377512547.db2.gz CBTGKBFFHAJTRD-JQWIXIFHSA-N 0 3 278.787 2.383 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](CSC)C1 ZINC000429273011 377514327 /nfs/dbraw/zinc/51/43/27/377514327.db2.gz FJJHPVGQCAEINW-UONOGXRCSA-N 0 3 297.468 2.070 20 30 CEEDHN CCC[C@H](CNCc1ccc(OC)c(C#N)c1)OC ZINC000293631781 377666189 /nfs/dbraw/zinc/66/61/89/377666189.db2.gz JBDWDKLTAUKPLQ-CQSZACIVSA-N 0 3 262.353 2.472 20 30 CEEDHN CCN(CCNC(=O)[C@]1(C#N)CC12CCCC2)C1CC1 ZINC000566399827 377757591 /nfs/dbraw/zinc/75/75/91/377757591.db2.gz UWTKFTIJIFYMQQ-MRXNPFEDSA-N 0 3 275.396 2.061 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(C)noc1C ZINC000435749412 377811135 /nfs/dbraw/zinc/81/11/35/377811135.db2.gz UAZPERQXSMHYDN-OCCSQVGLSA-N 0 3 250.342 2.362 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1c(C)[nH]c2ccccc21 ZINC000293919398 377826244 /nfs/dbraw/zinc/82/62/44/377826244.db2.gz GSCYZZDKQQJDKL-UHFFFAOYSA-N 0 3 283.375 2.161 20 30 CEEDHN C=C(C)CN(CC)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433472263 377791664 /nfs/dbraw/zinc/79/16/64/377791664.db2.gz VIHQTKHDGRZBSH-HNNXBMFYSA-N 0 3 297.443 2.095 20 30 CEEDHN Cc1n[nH]c([C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)n1 ZINC000567027846 377794133 /nfs/dbraw/zinc/79/41/33/377794133.db2.gz TUDLHAOWLRNRGD-CYBMUJFWSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1nc([C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)n[nH]1 ZINC000567027846 377794147 /nfs/dbraw/zinc/79/41/47/377794147.db2.gz TUDLHAOWLRNRGD-CYBMUJFWSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1nnc([C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)[nH]1 ZINC000567027846 377794160 /nfs/dbraw/zinc/79/41/60/377794160.db2.gz TUDLHAOWLRNRGD-CYBMUJFWSA-N 0 3 285.326 2.113 20 30 CEEDHN CC(C#N)C(=O)N1CCC(OCC2CCCC2)CC1 ZINC000434376496 377798146 /nfs/dbraw/zinc/79/81/46/377798146.db2.gz DWJOMAGCDXGJCW-LBPRGKRZSA-N 0 3 264.369 2.344 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC000438181300 377892213 /nfs/dbraw/zinc/89/22/13/377892213.db2.gz UXUVXUNHRQYPIQ-TZMCWYRMSA-N 0 3 274.364 2.065 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000437513668 377848031 /nfs/dbraw/zinc/84/80/31/377848031.db2.gz HPSWZLIYXLYPCL-GVRJEKJASA-N 0 3 294.439 2.345 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1noc(C(C)(C)C)n1 ZINC000438995393 377916601 /nfs/dbraw/zinc/91/66/01/377916601.db2.gz DIKIBBFCDKPJAI-UHFFFAOYSA-N 0 3 280.416 2.307 20 30 CEEDHN C=C(CC)CN1CCC[C@](COC)(C(=O)OCC)C1 ZINC000439478839 377927945 /nfs/dbraw/zinc/92/79/45/377927945.db2.gz ONIBNENNCZXSSS-HNNXBMFYSA-N 0 3 269.385 2.244 20 30 CEEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)c(OC)c2)C[C@@H]1C ZINC000442889465 378014139 /nfs/dbraw/zinc/01/41/39/378014139.db2.gz KKIVEDDHIPKVMK-KBPBESRZSA-N 0 3 287.407 2.481 20 30 CEEDHN C=CCOCCN[C@@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000294414102 377986280 /nfs/dbraw/zinc/98/62/80/377986280.db2.gz DEAKBKGHEPDPGG-ZDUSSCGKSA-N 0 3 293.363 2.092 20 30 CEEDHN C#CCOc1ccccc1CNC[C@H](O)c1ccc(C)o1 ZINC000265967215 190219692 /nfs/dbraw/zinc/21/96/92/190219692.db2.gz KCRPRMXUUNIBQX-HNNXBMFYSA-N 0 3 285.343 2.423 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@H](CCO)C1CCCCC1 ZINC000574691643 335040160 /nfs/dbraw/zinc/04/01/60/335040160.db2.gz KIAFIAAZHVZEDI-UKRRQHHQSA-N 0 3 263.385 2.351 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@]1(CCC)COC ZINC000447404910 378108608 /nfs/dbraw/zinc/10/86/08/378108608.db2.gz VMXBAIMMAXZZCH-KRWDZBQOSA-N 0 3 294.439 2.468 20 30 CEEDHN COC1(CNCc2cnc3ccc(C#N)cn23)CCCC1 ZINC000449348741 378204401 /nfs/dbraw/zinc/20/44/01/378204401.db2.gz VFELKVVJKGEHAZ-UHFFFAOYSA-N 0 3 284.363 2.255 20 30 CEEDHN COC(=O)c1ccc(CN[C@H]2CC[C@@H](CC#N)C2)o1 ZINC000449447145 378214043 /nfs/dbraw/zinc/21/40/43/378214043.db2.gz WJNZBTSKTDBHGR-QWRGUYRKSA-N 0 3 262.309 2.238 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)c(OC)c1 ZINC000449519760 378215262 /nfs/dbraw/zinc/21/52/62/378215262.db2.gz MYXOXQPVXHBYIJ-OLZOCXBDSA-N 0 3 263.337 2.137 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc([S@@](C)=O)cc1 ZINC000449548967 378216128 /nfs/dbraw/zinc/21/61/28/378216128.db2.gz SOMIVFSROUHPHA-ZRGWGRIASA-N 0 3 279.405 2.247 20 30 CEEDHN C[C@@H]1C[C@]1(C#N)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000448561984 378173260 /nfs/dbraw/zinc/17/32/60/378173260.db2.gz ITEDBFUMHWLKJX-RDTXWAMCSA-N 0 3 297.402 2.317 20 30 CEEDHN C=CCOc1ccc(CN2C[C@@H](C)C[C@H](O)C2)cc1 ZINC000449767270 378228997 /nfs/dbraw/zinc/22/89/97/378228997.db2.gz PTVMFSOBFARMRU-ZFWWWQNUSA-N 0 3 261.365 2.454 20 30 CEEDHN C[C@H](c1ccccc1)[C@H](O)CN1CCC(C#N)CC1 ZINC000450317362 378352387 /nfs/dbraw/zinc/35/23/87/378352387.db2.gz KCUQYPNNRNPCGW-CZUORRHYSA-N 0 3 258.365 2.387 20 30 CEEDHN CO[C@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1(C)C ZINC000296202188 378451496 /nfs/dbraw/zinc/45/14/96/378451496.db2.gz WCHOMJDXLJXUNI-HOTGVXAUSA-N 0 3 288.391 2.339 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1C[C@H](C)n2ccnc21 ZINC000296376592 378508891 /nfs/dbraw/zinc/50/88/91/378508891.db2.gz IXNRORWKGASOPH-DGAVXFQQSA-N 0 3 261.369 2.460 20 30 CEEDHN C#CCN(CC)C[C@@H](O)COCc1ccccc1Cl ZINC000299169085 378924192 /nfs/dbraw/zinc/92/41/92/378924192.db2.gz QPQGQEPRBOWCGQ-CQSZACIVSA-N 0 3 281.783 2.173 20 30 CEEDHN CN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000347003862 218089923 /nfs/dbraw/zinc/08/99/23/218089923.db2.gz IGTNKJVADFJZHB-QGZVFWFLSA-N 0 3 297.402 2.186 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1nc(Cl)c(C#N)s1 ZINC000278672381 194095599 /nfs/dbraw/zinc/09/55/99/194095599.db2.gz KFAXONUUGGWNQY-RKDXNWHRSA-N 0 3 284.816 2.445 20 30 CEEDHN N#CC1(CCN2CC[C@@H]3NC(=O)OC[C@H]3C2)CCCCC1 ZINC000497092383 379047635 /nfs/dbraw/zinc/04/76/35/379047635.db2.gz VVHJYZCCAMWRMZ-KGLIPLIRSA-N 0 3 291.395 2.281 20 30 CEEDHN CC1CCC(N2CCN(c3ccc(C#N)nn3)CC2)CC1 ZINC000302005695 379316936 /nfs/dbraw/zinc/31/69/36/379316936.db2.gz SWIWLRRKJMASIV-UHFFFAOYSA-N 0 3 285.395 2.049 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCc2ccc(C)o2)CC1 ZINC000520703736 379500280 /nfs/dbraw/zinc/50/02/80/379500280.db2.gz RIZGHEIJUMYVRS-UHFFFAOYSA-N 0 3 291.395 2.080 20 30 CEEDHN C=C[C@](C)(O)CC(=O)Nc1cnccc1NC(CC)CC ZINC000520608342 379491646 /nfs/dbraw/zinc/49/16/46/379491646.db2.gz XIRPVGXANFJFOR-INIZCTEOSA-N 0 3 291.395 2.370 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2ccccc2C#N)[C@H](C)C1 ZINC000347707068 218330013 /nfs/dbraw/zinc/33/00/13/218330013.db2.gz PIMBDPICVDUSHW-ZIAGYGMSSA-N 0 3 257.381 2.473 20 30 CEEDHN C[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)[C@@H]2CCCC[C@H]12 ZINC000527377095 379755838 /nfs/dbraw/zinc/75/58/38/379755838.db2.gz IDSPXOHLOONXKM-RBSFLKMASA-N 0 3 289.423 2.449 20 30 CEEDHN C=C(C)CN1CCC(Nc2ccc(C#N)nc2)CC1 ZINC000267440409 190330660 /nfs/dbraw/zinc/33/06/60/190330660.db2.gz YRMHDAOGJYJENA-UHFFFAOYSA-N 0 3 256.353 2.406 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)c(C#N)cn2)CC1 ZINC000457532921 379831141 /nfs/dbraw/zinc/83/11/41/379831141.db2.gz ARQUZXZEJSBRSK-UHFFFAOYSA-N 0 3 298.390 2.032 20 30 CEEDHN C=CCCN(C)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528470204 379979635 /nfs/dbraw/zinc/97/96/35/379979635.db2.gz MMMXZPIFLGKPQQ-AWEZNQCLSA-N 0 3 250.386 2.428 20 30 CEEDHN C=CCN1CCC(C(=O)NCc2ccc(OC)cc2)CC1 ZINC000472356831 380074171 /nfs/dbraw/zinc/07/41/71/380074171.db2.gz VSBYFGVDOGKHGT-UHFFFAOYSA-N 0 3 288.391 2.209 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(C#N)cc2)CN1C1CC1 ZINC000267944878 190364493 /nfs/dbraw/zinc/36/44/93/190364493.db2.gz HYZMLRHWHZUINO-MVQLRYDASA-N 0 3 295.386 2.313 20 30 CEEDHN COCCOC[C@H]1CCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000488446421 380094518 /nfs/dbraw/zinc/09/45/18/380094518.db2.gz KHRRBPJJBBZEFX-INIZCTEOSA-N 0 3 288.391 2.352 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)C1CCc2ccccc2CC1 ZINC000528915571 380133692 /nfs/dbraw/zinc/13/36/92/380133692.db2.gz DMJQDHJOAUXEFW-INIZCTEOSA-N 0 3 298.386 2.415 20 30 CEEDHN CCC(C#N)(CC)C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000529053479 380166706 /nfs/dbraw/zinc/16/67/06/380166706.db2.gz GDDHTRJAEMENMA-CYBMUJFWSA-N 0 3 265.401 2.305 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@H](O)CC12CCC2 ZINC000333865123 380166833 /nfs/dbraw/zinc/16/68/33/380166833.db2.gz QWFCORBHZIRACV-HNNXBMFYSA-N 0 3 286.375 2.446 20 30 CEEDHN C[C@@H](CNC(=O)C1(C#N)CC(C)C1)N1CCC[C@H](C)C1 ZINC000532322120 380213557 /nfs/dbraw/zinc/21/35/57/380213557.db2.gz FJKFYNYMYQBGPO-REWIBIJMSA-N 0 3 277.412 2.163 20 30 CEEDHN Cc1c(Cl)cnc(NC[C@H]2CCCN(C)C2)c1C#N ZINC000541280318 380270989 /nfs/dbraw/zinc/27/09/89/380270989.db2.gz HNTGKTGKJFLARA-LLVKDONJSA-N 0 3 278.787 2.091 20 30 CEEDHN C[C@@H](CNC(=O)N1CCC(C#N)CC1)N1CCCC[C@@H]1C ZINC000334349848 380284317 /nfs/dbraw/zinc/28/43/17/380284317.db2.gz DSLSBDQHPQMEIP-KBPBESRZSA-N 0 3 292.427 2.194 20 30 CEEDHN C#C[C@@H](NC[C@H](O)COc1ccc(SC)cc1)C(C)C ZINC000491640654 380339418 /nfs/dbraw/zinc/33/94/18/380339418.db2.gz YRDJZSYPHYIERA-XJKSGUPXSA-N 0 3 293.432 2.396 20 30 CEEDHN Cc1nsc(NC[C@H]2CCN(C3CC3)C2)c1C#N ZINC000553309730 380733784 /nfs/dbraw/zinc/73/37/84/380733784.db2.gz COWPVZJECBHNNN-SNVBAGLBSA-N 0 3 262.382 2.219 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C/C2(C)CCOCC2)CC1 ZINC000493228235 380864458 /nfs/dbraw/zinc/86/44/58/380864458.db2.gz SCLQPUMAUGIPGI-QPJJXVBHSA-N 0 3 292.423 2.126 20 30 CEEDHN C#CCCN1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000494009039 381151384 /nfs/dbraw/zinc/15/13/84/381151384.db2.gz MRMPHHIRMKQEPI-CYBMUJFWSA-N 0 3 266.385 2.341 20 30 CEEDHN CN(C)C(=O)O[C@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000496490215 381215730 /nfs/dbraw/zinc/21/57/30/381215730.db2.gz KTFPFUAQGAYGEO-ZDUSSCGKSA-N 0 3 281.400 2.479 20 30 CEEDHN CN(CCCNC[C@@H](C#N)CCC#N)C(=O)OC(C)(C)C ZINC000497042437 381240505 /nfs/dbraw/zinc/24/05/05/381240505.db2.gz CKZVDKFJMKWCCK-CYBMUJFWSA-N 0 3 294.399 2.277 20 30 CEEDHN C[C@H]1C[C@H](NCc2cnc3ccc(C#N)cn23)CS1 ZINC000334852115 207187541 /nfs/dbraw/zinc/18/75/41/207187541.db2.gz HKILGXQKLJJFGF-JQWIXIFHSA-N 0 3 272.377 2.190 20 30 CEEDHN C#CCCCN1CCN(c2cccc(OCC)n2)CC1 ZINC000270998787 533036394 /nfs/dbraw/zinc/03/63/94/533036394.db2.gz FUZMCRCCLGAKTH-UHFFFAOYSA-N 0 3 273.380 2.016 20 30 CEEDHN CCN1C[C@H](C)N(Cc2cnc3ccc(C#N)cn23)C[C@@H]1C ZINC000353801316 220337350 /nfs/dbraw/zinc/33/73/50/220337350.db2.gz DYOGRMNWLHHQAZ-KBPBESRZSA-N 0 3 297.406 2.120 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000345166166 533107496 /nfs/dbraw/zinc/10/74/96/533107496.db2.gz GMHJIWLXZAOZRM-JTQLQIEISA-N 0 3 273.292 2.245 20 30 CEEDHN N#Cc1cccc(CN2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000354026070 220495012 /nfs/dbraw/zinc/49/50/12/220495012.db2.gz NBTFGCXDJJHWHK-QGZVFWFLSA-N 0 3 286.375 2.328 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000497240204 262120891 /nfs/dbraw/zinc/12/08/91/262120891.db2.gz OIESRFSABVCVNU-STQMWFEESA-N 0 3 266.385 2.361 20 30 CEEDHN C=CCSCCNC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000171174112 335058073 /nfs/dbraw/zinc/05/80/73/335058073.db2.gz NWPGVADDGLWGBP-ZIAGYGMSSA-N 0 3 299.484 2.325 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC000575071276 335062039 /nfs/dbraw/zinc/06/20/39/335062039.db2.gz UKTHMBRUJAPDDE-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN COc1cc(CNC[C@](C)(O)c2ccco2)ccc1C#N ZINC000281659725 195325408 /nfs/dbraw/zinc/32/54/08/195325408.db2.gz KRTSPRQJHWDFQT-INIZCTEOSA-N 0 3 286.331 2.157 20 30 CEEDHN C[C@H](NC(=O)NCC(C)(C)CCC#N)C1=CCN(C)CC1 ZINC000355098470 533629388 /nfs/dbraw/zinc/62/93/88/533629388.db2.gz JGRIURKGSYFEGT-ZDUSSCGKSA-N 0 3 292.427 2.266 20 30 CEEDHN Cn1cc(CNCCC(=O)Nc2ccccc2)cc1C#N ZINC000191031489 130174481 /nfs/dbraw/zinc/17/44/81/130174481.db2.gz IDQHJRMKRTXRPB-UHFFFAOYSA-N 0 3 282.347 2.015 20 30 CEEDHN COc1ccc(CN2[C@H](C)CC(O)C[C@H]2C)cc1C#N ZINC000191180105 130197182 /nfs/dbraw/zinc/19/71/82/130197182.db2.gz KBJDZSAQWQUFFL-VXGBXAGGSA-N 0 3 274.364 2.301 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1cnn(C(C)C)c1C ZINC000191498483 130245799 /nfs/dbraw/zinc/24/57/99/130245799.db2.gz OJRXWGZQKQJZKD-YPMHNXCESA-N 0 3 251.374 2.360 20 30 CEEDHN CC[C@](C)(CCO)NCc1ccc(C#N)cc1F ZINC000227598917 130847655 /nfs/dbraw/zinc/84/76/55/130847655.db2.gz PPYIXIGKISLADY-CQSZACIVSA-N 0 3 250.317 2.338 20 30 CEEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H](C)[C@H](C)C1 ZINC000252548487 131136380 /nfs/dbraw/zinc/13/63/80/131136380.db2.gz MRLYGIYRIBKJDD-JHJVBQTASA-N 0 3 271.364 2.473 20 30 CEEDHN CN(C)[C@H](CNc1nccnc1C#N)c1ccc(F)cc1 ZINC000263734878 131318295 /nfs/dbraw/zinc/31/82/95/131318295.db2.gz CRXGDGAJOWWLNE-CQSZACIVSA-N 0 3 285.326 2.202 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNc1cnc(C#N)cn1 ZINC000355424508 394449059 /nfs/dbraw/zinc/44/90/59/394449059.db2.gz UJCVBPSNTWHBJD-VXGBXAGGSA-N 0 3 259.357 2.023 20 30 CEEDHN CC[C@H](CNc1ncc(C#N)cc1F)N1CCCC1 ZINC000413055116 394476100 /nfs/dbraw/zinc/47/61/00/394476100.db2.gz PWVISVKWRXWUME-GFCCVEGCSA-N 0 3 262.332 2.379 20 30 CEEDHN C[C@H](C#N)CNC1CCN(Cc2ccccc2)CC1 ZINC000036984833 394495875 /nfs/dbraw/zinc/49/58/75/394495875.db2.gz LGLIGGZIKHDQIR-CQSZACIVSA-N 0 3 257.381 2.400 20 30 CEEDHN C=CCNC(=O)c1ccc(NC(=O)[C@@](C)(N)CCC)cc1 ZINC000037769509 394497865 /nfs/dbraw/zinc/49/78/65/394497865.db2.gz XHOCPKXFKKOURC-INIZCTEOSA-N 0 3 289.379 2.058 20 30 CEEDHN Cc1cc(=O)[nH]cc1C(=O)NC1CCN(C2CC2)CC1 ZINC000329889925 394592396 /nfs/dbraw/zinc/59/23/96/394592396.db2.gz FIVZOZJHVIJKJX-UHFFFAOYSA-N 0 3 275.352 2.027 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC000329642879 394579410 /nfs/dbraw/zinc/57/94/10/394579410.db2.gz AFYPICKYCUJQOC-SRRSOLGSSA-N 0 3 279.384 2.181 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)NCC[C@@H]1CCO[C@@H](C)C1 ZINC000329764748 394583690 /nfs/dbraw/zinc/58/36/90/394583690.db2.gz WBZBJMNYWBGRQQ-RRFJBIMHSA-N 0 3 297.443 2.180 20 30 CEEDHN C=CC[C@H](CO)CNCc1ccc(Br)o1 ZINC000308947208 394531368 /nfs/dbraw/zinc/53/13/68/394531368.db2.gz SQRZZZTYJCPHAN-VIFPVBQESA-N 0 3 274.158 2.316 20 30 CEEDHN C=CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000048844275 394532758 /nfs/dbraw/zinc/53/27/58/394532758.db2.gz DNNPFGWDWBIBIY-OAHLLOKOSA-N 0 3 273.380 2.136 20 30 CEEDHN CCC[C@H]1CCCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000248564347 394542838 /nfs/dbraw/zinc/54/28/38/394542838.db2.gz DOLUHDDUYDAVKV-GOEBONIOSA-N 0 3 277.412 2.449 20 30 CEEDHN C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2C#N)CCN1C ZINC000266200762 394660927 /nfs/dbraw/zinc/66/09/27/394660927.db2.gz DKSACMBGPOTQOP-DGCLKSJQSA-N 0 3 288.351 2.385 20 30 CEEDHN CCN1CCC(NC(=O)c2cc(=O)[nH]c(C3CC3)c2)CC1 ZINC000329944553 394597225 /nfs/dbraw/zinc/59/72/25/394597225.db2.gz WTTITGCLRZSNFT-UHFFFAOYSA-N 0 3 289.379 2.454 20 30 CEEDHN CCn1nc(C)c(C(=O)N[C@H]2CCCN(CC)C2)c1C ZINC000330435812 394609479 /nfs/dbraw/zinc/60/94/79/394609479.db2.gz AQQUWOJXHJPYRR-ZDUSSCGKSA-N 0 3 278.400 2.309 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)c1ccc(F)c(C#N)c1 ZINC000330562204 394618754 /nfs/dbraw/zinc/61/87/54/394618754.db2.gz AFQBINFPVLGFKD-ZDUSSCGKSA-N 0 3 275.327 2.486 20 30 CEEDHN CN(CC(=O)NC1(C#N)CCCCC1)C1CC(C)(C)C1 ZINC000331843991 394632975 /nfs/dbraw/zinc/63/29/75/394632975.db2.gz GZNQDOCQGHJLRX-UHFFFAOYSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000335105752 394737647 /nfs/dbraw/zinc/73/76/47/394737647.db2.gz YYTYTIBUQLSGAC-QWHCGFSZSA-N 0 3 250.386 2.141 20 30 CEEDHN C[C@H]1[C@H](C)N(Cc2cc(F)ccc2C#N)CCN1C ZINC000357049560 394693487 /nfs/dbraw/zinc/69/34/87/394693487.db2.gz XSEVGDCWEQZTHH-RYUDHWBXSA-N 0 3 261.344 2.222 20 30 CEEDHN C[C@@H](NCCc1cn(C)cn1)c1ccc(C#N)c(F)c1 ZINC000414127134 394710215 /nfs/dbraw/zinc/71/02/15/394710215.db2.gz PPEYSGFAURKWAH-LLVKDONJSA-N 0 3 272.327 2.324 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)CC1CCN(C)CC1 ZINC000335186390 394747621 /nfs/dbraw/zinc/74/76/21/394747621.db2.gz ZWUZCQMKXZTRAY-AWEZNQCLSA-N 0 3 250.386 2.285 20 30 CEEDHN CN(C)C/C=C/C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000269621493 394719726 /nfs/dbraw/zinc/71/97/26/394719726.db2.gz QZGVJEZZOUSPSE-XKOZXHHJSA-N 0 3 271.364 2.265 20 30 CEEDHN N#Cc1ccc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)s1 ZINC000335241585 394751766 /nfs/dbraw/zinc/75/17/66/394751766.db2.gz TUZFVHOFDKIBCG-RISCZKNCSA-N 0 3 289.404 2.110 20 30 CEEDHN CNC(=O)C[C@@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000271495671 394758088 /nfs/dbraw/zinc/75/80/88/394758088.db2.gz LFOWDAIFUVRDBA-OCCSQVGLSA-N 0 3 259.353 2.146 20 30 CEEDHN C=C(C)CN(CC)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000120107338 394774445 /nfs/dbraw/zinc/77/44/45/394774445.db2.gz QXIMLRHEWREMJO-ZDUSSCGKSA-N 0 3 295.427 2.431 20 30 CEEDHN C=C(CC)CNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000335576054 394775334 /nfs/dbraw/zinc/77/53/34/394775334.db2.gz CPFDWDSVUSVPJW-KBPBESRZSA-N 0 3 265.401 2.078 20 30 CEEDHN CC[C@@H](C(=O)N(CCC#N)CC1CC1)N(CC)CC ZINC000359808659 394777235 /nfs/dbraw/zinc/77/72/35/394777235.db2.gz ZLGYJLDPPHYJAK-AWEZNQCLSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCCCN(C)CC(=O)NCCc1ccc(F)cc1 ZINC000121051253 394790639 /nfs/dbraw/zinc/79/06/39/394790639.db2.gz JIBMMSCGBKCJSZ-UHFFFAOYSA-N 0 3 278.371 2.382 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@H]3CCC[C@@H]32)CC1 ZINC000335848629 394803619 /nfs/dbraw/zinc/80/36/19/394803619.db2.gz ZJVOWUJPCBVYKJ-HIFRSBDPSA-N 0 3 277.412 2.221 20 30 CEEDHN Cc1ccccc1[C@@H](C)N[C@H](C)C(=O)N(C)CCC#N ZINC000122333698 394811568 /nfs/dbraw/zinc/81/15/68/394811568.db2.gz QWLBQELYJVTUSH-ZIAGYGMSSA-N 0 3 273.380 2.406 20 30 CEEDHN C=CCN[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000277006499 394817625 /nfs/dbraw/zinc/81/76/25/394817625.db2.gz XEJLIVAKLYFSTK-JSGCOSHPSA-N 0 3 266.291 2.012 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000336170203 394830599 /nfs/dbraw/zinc/83/05/99/394830599.db2.gz YGVHJBGMKKQREQ-GUYCJALGSA-N 0 3 283.375 2.221 20 30 CEEDHN CCO[C@@H]1COCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000362030789 394842255 /nfs/dbraw/zinc/84/22/55/394842255.db2.gz YFCLCPLSVZKKAL-HZPDHXFCSA-N 0 3 293.794 2.475 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@](F)(c2ccccc2F)C1 ZINC000336363296 394847646 /nfs/dbraw/zinc/84/76/46/394847646.db2.gz VPOUAWIKZCKDSC-IINYFYTJSA-N 0 3 264.275 2.382 20 30 CEEDHN C=CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000285144954 394953708 /nfs/dbraw/zinc/95/37/08/394953708.db2.gz OLFFRVNWPIWQHB-AWEZNQCLSA-N 0 3 294.345 2.446 20 30 CEEDHN Cc1c(Cl)cnc(N2CC[C@@H]3CCN(C)[C@H]3C2)c1C#N ZINC000364630840 394913004 /nfs/dbraw/zinc/91/30/04/394913004.db2.gz GQMWLZZWYNUPJT-FZMZJTMJSA-N 0 3 290.798 2.446 20 30 CEEDHN Cc1c(Cl)cnc(N2CC[C@H]3CCN(C)[C@@H]3C2)c1C#N ZINC000364630839 394913137 /nfs/dbraw/zinc/91/31/37/394913137.db2.gz GQMWLZZWYNUPJT-BXUZGUMPSA-N 0 3 290.798 2.446 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](CO)CCOC)cc1Cl ZINC000282247120 394915312 /nfs/dbraw/zinc/91/53/12/394915312.db2.gz OINALVLNQPRKRB-CYBMUJFWSA-N 0 3 299.798 2.392 20 30 CEEDHN C=CCC[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282497240 394920305 /nfs/dbraw/zinc/92/03/05/394920305.db2.gz QMUABBIDSXZWMJ-OAHLLOKOSA-N 0 3 278.352 2.396 20 30 CEEDHN CC#CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000283064530 394928756 /nfs/dbraw/zinc/92/87/56/394928756.db2.gz CONMRHRAZOKXIE-GOEBONIOSA-N 0 3 270.376 2.037 20 30 CEEDHN C#CCN(C[C@H]1CCN(C(=O)c2ccccc2)C1)C1CC1 ZINC000283178629 394930848 /nfs/dbraw/zinc/93/08/48/394930848.db2.gz PYDPLWPNCAFTIM-OAHLLOKOSA-N 0 3 282.387 2.246 20 30 CEEDHN C=CCOCCN1CCN(C2CCCCC2)CC1 ZINC000339019564 394937528 /nfs/dbraw/zinc/93/75/28/394937528.db2.gz AWFSXBPSPUTQQZ-UHFFFAOYSA-N 0 3 252.402 2.139 20 30 CEEDHN COC(=O)[C@@H](C)[C@@H](NCCOCCC#N)c1ccccc1 ZINC000339041985 394938099 /nfs/dbraw/zinc/93/80/99/394938099.db2.gz DNTSJSQTYYDZLO-DZGCQCFKSA-N 0 3 290.363 2.057 20 30 CEEDHN C[C@@H](NCC#CCN[C@@H](C)c1ccccn1)c1ccccn1 ZINC000284143351 394942086 /nfs/dbraw/zinc/94/20/86/394942086.db2.gz OYFAFZDBMBKGJR-IYBDPMFKSA-N 0 3 294.402 2.481 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H](Oc3ccncc3)C2)C1 ZINC000339134158 394945239 /nfs/dbraw/zinc/94/52/39/394945239.db2.gz HCTJFPMGBPHNEE-VNHYZAJKSA-N 0 3 257.337 2.227 20 30 CEEDHN CC[C@H]1CN(CCCCC#N)C[C@]2(CCCOC2)O1 ZINC000366566470 394949209 /nfs/dbraw/zinc/94/92/09/394949209.db2.gz AELVHWZKCQQCPP-GJZGRUSLSA-N 0 3 266.385 2.340 20 30 CEEDHN C#CCSCCN[C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000286267987 395018691 /nfs/dbraw/zinc/01/86/91/395018691.db2.gz VKECTIOOARKEET-LLVKDONJSA-N 0 3 290.388 2.035 20 30 CEEDHN CC(C)[C@@H](C)NC(=O)C1CCN(CCCC#N)CC1 ZINC000153826550 395019367 /nfs/dbraw/zinc/01/93/67/395019367.db2.gz AJWKHCKCOWSZDE-CYBMUJFWSA-N 0 3 265.401 2.163 20 30 CEEDHN C=CCN(C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000154657569 395023377 /nfs/dbraw/zinc/02/33/77/395023377.db2.gz MJZCRJRKXPDEQA-CQSZACIVSA-N 0 3 275.396 2.334 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000342853950 395023946 /nfs/dbraw/zinc/02/39/46/395023946.db2.gz PEYKYNYJEXLHSJ-WCQYABFASA-N 0 3 250.386 2.188 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2COc3ccccc3[C@H]2O)cc1 ZINC000367282187 394960252 /nfs/dbraw/zinc/96/02/52/394960252.db2.gz HQMSRHDVORHJPZ-NVXWUHKLSA-N 0 3 280.327 2.142 20 30 CEEDHN CC#CCN(C)CCCN1CCN(c2ccccc2)CC1 ZINC000339763519 394970556 /nfs/dbraw/zinc/97/05/56/394970556.db2.gz NMWANYZNZYKGHP-UHFFFAOYSA-N 0 3 285.435 2.154 20 30 CEEDHN C=CCCOCCNC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000339777285 394970712 /nfs/dbraw/zinc/97/07/12/394970712.db2.gz SEVLMWGMNCVVCC-HUUCEWRRSA-N 0 3 297.443 2.141 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC000340000421 394977534 /nfs/dbraw/zinc/97/75/34/394977534.db2.gz YQPDRRNXXXRBSA-ZBFHGGJFSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)CCC1 ZINC000372776097 395046538 /nfs/dbraw/zinc/04/65/38/395046538.db2.gz KWFYUKMGLLZNDS-KGLIPLIRSA-N 0 3 262.397 2.285 20 30 CEEDHN C#CCN(CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000287919859 395048875 /nfs/dbraw/zinc/04/88/75/395048875.db2.gz FDGZCCAOXSUQBY-NVXWUHKLSA-N 0 3 299.418 2.314 20 30 CEEDHN C[C@H]1C[C@@H](Nc2c(C#N)cccc2[N+](=O)[O-])CCN1C ZINC000425236587 395053493 /nfs/dbraw/zinc/05/34/93/395053493.db2.gz QKTJZJVKSMPMAE-JQWIXIFHSA-N 0 3 274.324 2.361 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC12CCC2 ZINC000373100058 395054108 /nfs/dbraw/zinc/05/41/08/395054108.db2.gz QBUSIZJRRRMCLW-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN C#Cc1ccc(CN[C@H](C)[C@H](C)C(=O)OCC)cc1 ZINC000290356058 395100585 /nfs/dbraw/zinc/10/05/85/395100585.db2.gz MJLCUAXDDAEGFF-QWHCGFSZSA-N 0 3 259.349 2.345 20 30 CEEDHN Cc1ccc(C#N)c(N[C@H]2CN(C(C)C)C[C@@H]2C)n1 ZINC000161815651 395066420 /nfs/dbraw/zinc/06/64/20/395066420.db2.gz HLNYORJHYCVPSM-FZMZJTMJSA-N 0 3 258.369 2.402 20 30 CEEDHN C#C[C@@H](C)N[C@@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000289079080 395070452 /nfs/dbraw/zinc/07/04/52/395070452.db2.gz ASBSNAYVKNKKAK-NEPJUHHUSA-N 0 3 290.363 2.032 20 30 CEEDHN Cc1ccc([C@@H](CNC(=O)[C@H](C)C#N)N2CCCC2)cc1 ZINC000345773629 395076289 /nfs/dbraw/zinc/07/62/89/395076289.db2.gz YTDPEFPRNMAZLC-GDBMZVCRSA-N 0 3 285.391 2.408 20 30 CEEDHN C#C[C@@H](NCc1c[nH]nc1-c1cccnc1)C(C)C ZINC000289377948 395077081 /nfs/dbraw/zinc/07/70/81/395077081.db2.gz MFIATWGMKBABEQ-CQSZACIVSA-N 0 3 254.337 2.219 20 30 CEEDHN C#CCOc1ccccc1CNCc1[nH]ncc1C ZINC000289441573 395077822 /nfs/dbraw/zinc/07/78/22/395077822.db2.gz FYYMSQPYRRIEKD-UHFFFAOYSA-N 0 3 255.321 2.020 20 30 CEEDHN CC#CCNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000374260995 395077908 /nfs/dbraw/zinc/07/79/08/395077908.db2.gz YKEFAZZUAZIDRG-SFHVURJKSA-N 0 3 299.418 2.221 20 30 CEEDHN CCCCN(CC)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345799140 395078438 /nfs/dbraw/zinc/07/84/38/395078438.db2.gz YLAZTLXPDPVZBT-LBPRGKRZSA-N 0 3 251.374 2.059 20 30 CEEDHN C=CCOc1ccccc1CN[C@H]1CCC[C@@H]1C(=O)NC ZINC000345826848 395079190 /nfs/dbraw/zinc/07/91/90/395079190.db2.gz QNQAWIZAPFKFNE-GJZGRUSLSA-N 0 3 288.391 2.256 20 30 CEEDHN C#C[C@@H](NCc1ccc(O[C@H](C)C(=O)OC)cc1)C(C)C ZINC000289518755 395079555 /nfs/dbraw/zinc/07/95/55/395079555.db2.gz PDQYAUVVCXIZGY-CZUORRHYSA-N 0 3 289.375 2.374 20 30 CEEDHN C=C[C@H](CO)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000289600341 395081137 /nfs/dbraw/zinc/08/11/37/395081137.db2.gz CODODHYXUJOXJQ-YPMHNXCESA-N 0 3 250.298 2.182 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc(OC)c(OCCC)c1 ZINC000289728329 395085419 /nfs/dbraw/zinc/08/54/19/395085419.db2.gz GCFMIPRYIPXIJP-ZDUSSCGKSA-N 0 3 265.353 2.121 20 30 CEEDHN C=C[C@H](CO)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000289759171 395086640 /nfs/dbraw/zinc/08/66/40/395086640.db2.gz LOWNDRFDQMOJGB-OLZOCXBDSA-N 0 3 265.353 2.291 20 30 CEEDHN CC(C#N)C(=O)N(Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000346123442 395088171 /nfs/dbraw/zinc/08/81/71/395088171.db2.gz SRWANOMWSMZRPN-UPJWGTAASA-N 0 3 290.388 2.173 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc(SC)c(OC)c1 ZINC000289941087 395091686 /nfs/dbraw/zinc/09/16/86/395091686.db2.gz UJLAHALARNSKSW-NSHDSACASA-N 0 3 253.367 2.054 20 30 CEEDHN C#Cc1ccc(CN2CCC(CC(=O)N(C)C)CC2)cc1 ZINC000290213292 395096448 /nfs/dbraw/zinc/09/64/48/395096448.db2.gz FAQSQEHPIOUKKK-UHFFFAOYSA-N 0 3 284.403 2.358 20 30 CEEDHN Cc1ccc(C#N)c(N2CCN(C)[C@@H](C(C)C)C2)n1 ZINC000343213957 395034238 /nfs/dbraw/zinc/03/42/38/395034238.db2.gz GONMHSUWPDUXQO-CQSZACIVSA-N 0 3 258.369 2.038 20 30 CEEDHN C=CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000287383257 395040072 /nfs/dbraw/zinc/04/00/72/395040072.db2.gz UUDLCDXHSMXSEL-ZFWWWQNUSA-N 0 3 273.380 2.135 20 30 CEEDHN CCCCCCCCN1CCC(S(N)(=O)=O)CC1 ZINC000372383435 395041170 /nfs/dbraw/zinc/04/11/70/395041170.db2.gz LKKNVCYBGYFGKV-UHFFFAOYSA-N 0 3 276.446 2.100 20 30 CEEDHN C=CC[C@H](CC)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000343771302 395044625 /nfs/dbraw/zinc/04/46/25/395044625.db2.gz VERZFZSGKYVMAW-DZGCQCFKSA-N 0 3 280.412 2.101 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000376326017 395116255 /nfs/dbraw/zinc/11/62/55/395116255.db2.gz VGEWYVOFOITTSJ-WBVHZDCISA-N 0 3 299.418 2.220 20 30 CEEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000375953738 395105305 /nfs/dbraw/zinc/10/53/05/395105305.db2.gz JNSVYRZRUIGLDA-WMZOPIPTSA-N 0 3 299.418 2.336 20 30 CEEDHN C[C@H]1C[C@H](N2CCCC2)CN1c1c(C#N)cccc1C#N ZINC000376205720 395113028 /nfs/dbraw/zinc/11/30/28/395113028.db2.gz SHZYWOQHIFZPCS-BBRMVZONSA-N 0 3 280.375 2.493 20 30 CEEDHN CC(C)[C@H](CCO)NCc1cccc(F)c1C#N ZINC000428351404 395146795 /nfs/dbraw/zinc/14/67/95/395146795.db2.gz IBPXPYYGWPXPHR-AWEZNQCLSA-N 0 3 250.317 2.194 20 30 CEEDHN CCN(CCNC(=O)Nc1cccc(C#N)c1C)C1CC1 ZINC000178579346 395169432 /nfs/dbraw/zinc/16/94/32/395169432.db2.gz DRIYRXIIHMHGPJ-UHFFFAOYSA-N 0 3 286.379 2.473 20 30 CEEDHN C=CC[C@@H](CO)CNCc1nn(CC)c2ccccc12 ZINC000349568426 395170466 /nfs/dbraw/zinc/17/04/66/395170466.db2.gz LNMNPVSPWRFSGO-CYBMUJFWSA-N 0 3 273.380 2.330 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cnc2c(F)cccc2c1 ZINC000293872529 395254752 /nfs/dbraw/zinc/25/47/52/395254752.db2.gz BWVORYPYKINZMI-UHFFFAOYSA-N 0 3 299.349 2.059 20 30 CEEDHN Cc1ccc([C@H](C)NCC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000182316864 395239033 /nfs/dbraw/zinc/23/90/33/395239033.db2.gz BCBJKSNIRQDVMK-SUMWQHHRSA-N 0 3 285.391 2.454 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1ccc(Cl)s1 ZINC000293850871 395253858 /nfs/dbraw/zinc/25/38/58/395253858.db2.gz ALVICGDPLUEGLW-UHFFFAOYSA-N 0 3 284.812 2.015 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000351877749 395239583 /nfs/dbraw/zinc/23/95/83/395239583.db2.gz GYHNAGMPYUZURN-ZJUUUORDSA-N 0 3 270.292 2.073 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N(C)CC1CCN(C)CC1 ZINC000352407731 395250186 /nfs/dbraw/zinc/25/01/86/395250186.db2.gz GLCCKKBZOBAKGU-INIZCTEOSA-N 0 3 282.428 2.015 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)Cc2cccc(C#N)c2)C1 ZINC000517065117 395187045 /nfs/dbraw/zinc/18/70/45/395187045.db2.gz BLOIYVVMSZLXDI-UHFFFAOYSA-N 0 3 299.418 2.339 20 30 CEEDHN C[C@H](CNC[C@@H](C#N)CCC#N)N1CCC[C@@H](C)C1 ZINC000519772010 395222655 /nfs/dbraw/zinc/22/26/55/395222655.db2.gz RINXZYAKDRLLDA-RBSFLKMASA-N 0 3 262.401 2.140 20 30 CEEDHN CC[C@@H](CO)N1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411297685 395325383 /nfs/dbraw/zinc/32/53/83/395325383.db2.gz RSJCBHHADLHTFQ-INIZCTEOSA-N 0 3 293.455 2.239 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000186251921 395288790 /nfs/dbraw/zinc/28/87/90/395288790.db2.gz KBYKWNVMPCSLSC-KRWDZBQOSA-N 0 3 299.418 2.021 20 30 CEEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCCC2(CC2)C1 ZINC000528456701 395290868 /nfs/dbraw/zinc/29/08/68/395290868.db2.gz OFLFBNCBJYGDLG-HNNXBMFYSA-N 0 3 286.375 2.174 20 30 CEEDHN COCCOC[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353251161 395291860 /nfs/dbraw/zinc/29/18/60/395291860.db2.gz HNBPYBZXPPICCN-WBMJQRKESA-N 0 3 274.364 2.187 20 30 CEEDHN COC[C@H]1CN(CC(C)(C)CCC#N)C[C@H](C)O1 ZINC000188377429 395314552 /nfs/dbraw/zinc/31/45/52/395314552.db2.gz HMXIKHYHRTVDRU-QWHCGFSZSA-N 0 3 254.374 2.052 20 30 CEEDHN OCCN(CC#Cc1ccccc1Cl)CC1CC1 ZINC000352484021 395259240 /nfs/dbraw/zinc/25/92/40/395259240.db2.gz KODFHOFTHDJAKC-UHFFFAOYSA-N 0 3 263.768 2.396 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1c[nH]c2c1cccc2C ZINC000293964989 395260421 /nfs/dbraw/zinc/26/04/21/395260421.db2.gz LKBYKBQJTSAGQR-UHFFFAOYSA-N 0 3 297.402 2.090 20 30 CEEDHN CNC(=O)C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442867294 395397798 /nfs/dbraw/zinc/39/77/98/395397798.db2.gz NUFNTQUVMQLAAR-QEJZJMRPSA-N 0 3 271.364 2.146 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(OCCO)CC1 ZINC000442685507 395390666 /nfs/dbraw/zinc/39/06/66/395390666.db2.gz XKYQYIUEHGIENT-ZDUSSCGKSA-N 0 3 274.364 2.093 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2cccnc2-n2cccn2)C1 ZINC000442717922 395392289 /nfs/dbraw/zinc/39/22/89/395392289.db2.gz PMLKZNXRFUBOMK-GXTWGEPZSA-N 0 3 267.336 2.049 20 30 CEEDHN N#C[C@H]1CC[C@H](NCCOc2ccc3c(c2)OCO3)C1 ZINC000442710478 395392298 /nfs/dbraw/zinc/39/22/98/395392298.db2.gz CDTALQJUFWNLKH-RYUDHWBXSA-N 0 3 274.320 2.076 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NCc2ccccc2OCCO)C1 ZINC000192893894 395395967 /nfs/dbraw/zinc/39/59/67/395395967.db2.gz MTVUFXMXBWHZLL-DZGCQCFKSA-N 0 3 274.364 2.230 20 30 CEEDHN N#CC(C(=O)c1cc(F)cc(F)c1)c1ccncn1 ZINC000354463412 395334538 /nfs/dbraw/zinc/33/45/38/395334538.db2.gz IAMMBNNVNBJBLF-NSHDSACASA-N 0 3 259.215 2.245 20 30 CEEDHN C=CCCOCCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000445227218 395461154 /nfs/dbraw/zinc/46/11/54/395461154.db2.gz WAIDXDDGIFESLN-UHFFFAOYSA-N 0 3 297.443 2.000 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)N(CCN(C)C)C1CCCC1 ZINC000448973756 395544462 /nfs/dbraw/zinc/54/44/62/395544462.db2.gz FIIYABYEEXFOGU-UHFFFAOYSA-N 0 3 288.395 2.141 20 30 CEEDHN N#CCC[C@@H](C#N)CN[C@H]1CCN(C2CCCC2)C1 ZINC000568382248 395556909 /nfs/dbraw/zinc/55/69/09/395556909.db2.gz UQLNRDNMUVPLLA-KBPBESRZSA-N 0 3 260.385 2.036 20 30 CEEDHN C=CCCCCN1CCN(CC(C)(C)O)C[C@H]1C ZINC000569307797 395576714 /nfs/dbraw/zinc/57/67/14/395576714.db2.gz ZKEADYIIDBBFLZ-CQSZACIVSA-N 0 3 254.418 2.120 20 30 CEEDHN CN(C)CCN(Cc1cccc(F)c1)c1cc(C#N)ncn1 ZINC000572940261 395594989 /nfs/dbraw/zinc/59/49/89/395594989.db2.gz LCFFJQYNOVOEIP-UHFFFAOYSA-N 0 3 299.353 2.056 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@H]1C[C@H](OC)C1(C)C ZINC000451510184 395622136 /nfs/dbraw/zinc/62/21/36/395622136.db2.gz VFTRKDDRVQRQLP-GJZGRUSLSA-N 0 3 274.364 2.470 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)NC(C)(C)CN1CCCC1 ZINC000457083406 395634682 /nfs/dbraw/zinc/63/46/82/395634682.db2.gz NKRNEIBMPPSMKW-UHFFFAOYSA-N 0 3 285.391 2.471 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCN(C)[C@H](C(C)C)C1 ZINC000487983592 395667833 /nfs/dbraw/zinc/66/78/33/395667833.db2.gz WBTPVCVVYOIHJX-INIZCTEOSA-N 0 3 287.407 2.339 20 30 CEEDHN CC(C)[C@@H]1CN(CCOc2ccccc2C#N)CCN1C ZINC000488072231 395667928 /nfs/dbraw/zinc/66/79/28/395667928.db2.gz JRUZSCDDFIMDAP-INIZCTEOSA-N 0 3 287.407 2.209 20 30 CEEDHN Cc1cc(CN(C)C[C@@H]2CCC[C@H]2O)ccc1C#N ZINC000488131340 395668085 /nfs/dbraw/zinc/66/80/85/395668085.db2.gz RCURVWKHCMJGPV-JKSUJKDBSA-N 0 3 258.365 2.460 20 30 CEEDHN C=CCCCCN1CCN(C[C@@H]2CCCO2)CC1 ZINC000649224084 396094952 /nfs/dbraw/zinc/09/49/52/396094952.db2.gz OPGRFFAPDZSMAM-HNNXBMFYSA-N 0 3 252.402 2.139 20 30 CEEDHN C#C[C@H](C)N(C)CC[C@H](C(=O)OC)c1ccccc1 ZINC000491644042 400593993 /nfs/dbraw/zinc/59/39/93/400593993.db2.gz IIWQGRPONIBGIA-ZFWWWQNUSA-N 0 3 259.349 2.287 20 30 CEEDHN C=CC[C@H]1CC[C@@H](NCc2nnnn2-c2ccccc2)C1 ZINC000651690841 401372978 /nfs/dbraw/zinc/37/29/78/401372978.db2.gz YINJFNNFZYLNTQ-UONOGXRCSA-N 0 3 283.379 2.497 20 30 CEEDHN C=CC[C@H]1CC[C@@H](NCc2ccnc(N(C)C)n2)C1 ZINC000651748460 401383386 /nfs/dbraw/zinc/38/33/86/401383386.db2.gz MOWHWTWREWQBPR-QWHCGFSZSA-N 0 3 260.385 2.377 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@H]1COCCO1 ZINC000360648409 155345125 /nfs/dbraw/zinc/34/51/25/155345125.db2.gz QDDRIMPTNOZWFY-RDJZCZTQSA-N 0 3 286.375 2.331 20 30 CEEDHN CC1(C)C(CN[C@H](C(N)=O)c2ccc(C#N)cc2)C1(C)C ZINC000360668843 155347340 /nfs/dbraw/zinc/34/73/40/155347340.db2.gz MAKMVIWIZCSWOI-AWEZNQCLSA-N 0 3 285.391 2.356 20 30 CEEDHN CCCNC(=O)CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360830440 155381967 /nfs/dbraw/zinc/38/19/67/155381967.db2.gz CQSLAVNWFWXVRH-MRXNPFEDSA-N 0 3 285.391 2.442 20 30 CEEDHN N#Cc1nccnc1NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192953049 153224334 /nfs/dbraw/zinc/22/43/34/153224334.db2.gz IOPJWZGIDJSORA-HNNXBMFYSA-N 0 3 293.374 2.282 20 30 CEEDHN C[C@H](O)C[C@H]1CCCN1Cc1cccc(C#N)c1F ZINC000223567130 153316031 /nfs/dbraw/zinc/31/60/31/153316031.db2.gz KAZBTGGWHUZICT-SMDDNHRTSA-N 0 3 262.328 2.433 20 30 CEEDHN C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1)c1ccc(C#N)cc1 ZINC000363575456 156032986 /nfs/dbraw/zinc/03/29/86/156032986.db2.gz CRMKCLUUGVPEKJ-CJNGLKHVSA-N 0 3 295.390 2.221 20 30 CEEDHN C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1)c1ccc(C#N)cc1 ZINC000363575455 156034011 /nfs/dbraw/zinc/03/40/11/156034011.db2.gz CRMKCLUUGVPEKJ-BBRMVZONSA-N 0 3 295.390 2.221 20 30 CEEDHN N#Cc1ccc(OC[C@@H](O)CN2C[C@H]3CCCC[C@H]32)cc1 ZINC000368081428 156284848 /nfs/dbraw/zinc/28/48/48/156284848.db2.gz NBSXMSJRAMPUKU-HLLBOEOZSA-N 0 3 286.375 2.172 20 30 CEEDHN Cc1ccc([C@@H](CNC(=O)c2cc(C#N)c[nH]2)N(C)C)cc1 ZINC000175457084 165136633 /nfs/dbraw/zinc/13/66/33/165136633.db2.gz WMCVOVVGTWQZJD-MRXNPFEDSA-N 0 3 296.374 2.228 20 30 CEEDHN N#Cc1ccc(OCCN[C@H](CO)c2ccccc2)cc1 ZINC000182919876 165377945 /nfs/dbraw/zinc/37/79/45/165377945.db2.gz TYVOQCZEAVGRGO-QGZVFWFLSA-N 0 3 282.343 2.260 20 30 CEEDHN C[C@@H]1CCCCN1C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1 ZINC000329729793 287256543 /nfs/dbraw/zinc/25/65/43/287256543.db2.gz PIFHNBWZWOIAKX-GHMZBOCLSA-N 0 3 262.357 2.055 20 30 CEEDHN C[C@@H]1CCCCN1C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1 ZINC000329729793 287256546 /nfs/dbraw/zinc/25/65/46/287256546.db2.gz PIFHNBWZWOIAKX-GHMZBOCLSA-N 0 3 262.357 2.055 20 30 CEEDHN CN(C)C[C@@H]1CCCN1C(=O)c1cc(C#N)ccc1Cl ZINC000285267833 196236888 /nfs/dbraw/zinc/23/68/88/196236888.db2.gz JLCJKXGFVNZUHX-LBPRGKRZSA-N 0 3 291.782 2.378 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000653128091 414912069 /nfs/dbraw/zinc/91/20/69/414912069.db2.gz NJEOLDVXHSMVCU-LLVKDONJSA-N 0 3 259.353 2.268 20 30 CEEDHN C=CCCn1cc(CNCC2(CCOC)CCC2)nn1 ZINC000657396858 414913241 /nfs/dbraw/zinc/91/32/41/414913241.db2.gz DBBJLWNMOKAMLV-UHFFFAOYSA-N 0 3 278.400 2.151 20 30 CEEDHN OCCC1(NCC#Cc2ccc(F)cc2)CCCC1 ZINC000660682224 414935224 /nfs/dbraw/zinc/93/52/24/414935224.db2.gz JXEGMWNAORBQDV-UHFFFAOYSA-N 0 3 261.340 2.462 20 30 CEEDHN C=CCCn1cc(CN[C@H](C)Cc2cccc(O)c2)nn1 ZINC000657346852 414873862 /nfs/dbraw/zinc/87/38/62/414873862.db2.gz JLKQRNGIQJLXRX-CYBMUJFWSA-N 0 3 286.379 2.281 20 30 CEEDHN C=C(C)CCN[C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660600661 414893525 /nfs/dbraw/zinc/89/35/25/414893525.db2.gz UIKADPROZTXDLE-CQSZACIVSA-N 0 3 263.385 2.180 20 30 CEEDHN C=CCOCCCC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654313006 414900105 /nfs/dbraw/zinc/90/01/05/414900105.db2.gz UFSBBHXATMTQHC-HUUCEWRRSA-N 0 3 280.412 2.102 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)NC2CCN(CC)CC2)C1 ZINC000660820479 414988058 /nfs/dbraw/zinc/98/80/58/414988058.db2.gz PFHSZUJELLCQAJ-AWEZNQCLSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CCOCCCNCc1cc(-c2cccnc2)n[nH]1 ZINC000657658085 415037993 /nfs/dbraw/zinc/03/79/93/415037993.db2.gz LPXMDHIPIIKKIU-UHFFFAOYSA-N 0 3 272.352 2.154 20 30 CEEDHN C=CCCn1cc(CNCC[C@@]2(C)CC2(F)F)nn1 ZINC000657673152 415045235 /nfs/dbraw/zinc/04/52/35/415045235.db2.gz NVHANDRXDUMOGX-LBPRGKRZSA-N 0 3 270.327 2.379 20 30 CEEDHN C=C(CC)CNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659044513 415396254 /nfs/dbraw/zinc/39/62/54/415396254.db2.gz RBWJGBZCHGKXNE-HNNXBMFYSA-N 0 3 289.379 2.435 20 30 CEEDHN C=C(C)CN1CCC(N[C@H]2CCCn3ccnc32)CC1 ZINC000655713278 415405465 /nfs/dbraw/zinc/40/54/65/415405465.db2.gz WZLGJBPQMGKBQF-HNNXBMFYSA-N 0 3 274.412 2.348 20 30 CEEDHN C=CCN(Cc1nn2c(nc(C)cc2=O)s1)C(C)(C)C ZINC000661755330 415446465 /nfs/dbraw/zinc/44/64/65/415446465.db2.gz OOUJPSLDVYFEFT-UHFFFAOYSA-N 0 3 292.408 2.246 20 30 CEEDHN C=CCN(C(=O)C[C@@H]1NCc2ccccc21)C1CC1 ZINC000659320506 415512602 /nfs/dbraw/zinc/51/26/02/415512602.db2.gz HNIBNIWHLZIBGV-HNNXBMFYSA-N 0 3 256.349 2.398 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000659329974 415522063 /nfs/dbraw/zinc/52/20/63/415522063.db2.gz TZLIOICSFAMJRA-QLFBSQMISA-N 0 3 280.412 2.006 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N(CC)CC ZINC000662081739 415615379 /nfs/dbraw/zinc/61/53/79/415615379.db2.gz XOODIGYBWVWBHV-MCIONIFRSA-N 0 3 250.386 2.426 20 30 CEEDHN C=CCNC(=O)CN1CCCC[C@@H]1CC1CCC1 ZINC000662158451 415661626 /nfs/dbraw/zinc/66/16/26/415661626.db2.gz UKXDKAIKGFCKIP-CQSZACIVSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000656689360 415813632 /nfs/dbraw/zinc/81/36/32/415813632.db2.gz QCKSWXBQPCEZOO-MELADBBJSA-N 0 3 294.439 2.393 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccn1C)C(C)C ZINC000078397500 177337336 /nfs/dbraw/zinc/33/73/36/177337336.db2.gz ABEILMFKKVGFPG-MRXNPFEDSA-N 0 3 289.423 2.454 20 30 CEEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000320351915 262628225 /nfs/dbraw/zinc/62/82/25/262628225.db2.gz FRZCDBZKPWCWIV-GXTWGEPZSA-N 0 3 297.420 2.068 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000348018691 226396647 /nfs/dbraw/zinc/39/66/47/226396647.db2.gz RUHNUIKPUMOFNX-UMNHJUIQSA-N 0 3 264.350 2.196 20 30 CEEDHN C[C@@H]1CC=CC[C@H]1C(=O)NC1(CCO)CCN(C)CC1 ZINC000329103942 227297318 /nfs/dbraw/zinc/29/73/18/227297318.db2.gz NWHLDUPNEDDRAK-ZIAGYGMSSA-N 0 3 280.412 2.392 20 30 CEEDHN CSc1c(C(=O)N[C@@H](C)C2=CCN(C)CC2)cnn1C ZINC000330057797 228027904 /nfs/dbraw/zinc/02/79/04/228027904.db2.gz YARSKFVMHOSCIU-JTQLQIEISA-N 0 3 294.424 2.097 20 30 CEEDHN [O-]C(N[C@H]1CCn2ccnc2C1)=[NH+]CC1CCCCC1 ZINC000330202040 228064597 /nfs/dbraw/zinc/06/45/97/228064597.db2.gz YTLSNMUBJOTDFT-ZDUSSCGKSA-N 0 3 276.384 2.282 20 30 CEEDHN N#CCCCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332705242 228165879 /nfs/dbraw/zinc/16/58/79/228165879.db2.gz WQFXZXYBAYEMAV-UHFFFAOYSA-N 0 3 260.297 2.042 20 30 CEEDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N[C@H]1CC[C@@H](C#N)C1 ZINC000333092562 228190226 /nfs/dbraw/zinc/19/02/26/228190226.db2.gz OMLNDFMZPCMSEF-HOSILWTGSA-N 0 3 288.395 2.149 20 30 CEEDHN C=CCCNC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000665947334 419487699 /nfs/dbraw/zinc/48/76/99/419487699.db2.gz INVBODNAMPUVQT-UHFFFAOYSA-N 0 3 293.386 2.475 20 30 CEEDHN C#C[C@H](NC[C@@H](O)c1c(F)cccc1F)C(C)C ZINC000305927459 260106358 /nfs/dbraw/zinc/10/63/58/260106358.db2.gz NULWPRXEMXHSTC-QWHCGFSZSA-N 0 3 253.292 2.246 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](C)Cc2cccs2)CC1 ZINC000299133755 260173545 /nfs/dbraw/zinc/17/35/45/260173545.db2.gz FWKPXPAZRONHSQ-ZDUSSCGKSA-N 0 3 290.432 2.141 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000426765945 260213964 /nfs/dbraw/zinc/21/39/64/260213964.db2.gz UTXPRXPTZFRJCC-CALCHBBNSA-N 0 3 297.402 2.296 20 30 CEEDHN C=CCCCNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000448390690 261140164 /nfs/dbraw/zinc/14/01/64/261140164.db2.gz UWZMOTHTQOCDGM-CHWSQXEVSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCCCNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000448381106 261135568 /nfs/dbraw/zinc/13/55/68/261135568.db2.gz IKBGAPKPLQWNEQ-UHFFFAOYSA-N 0 3 290.411 2.121 20 30 CEEDHN C#CCN([C@H]1CCN(CC=C)C1=O)C1CCCCC1 ZINC000490637833 261176300 /nfs/dbraw/zinc/17/63/00/261176300.db2.gz TXHSSUMLTHNIMX-HNNXBMFYSA-N 0 3 260.381 2.041 20 30 CEEDHN C=CCCCCCN(C)[C@H]1CCN(C2CC2)C1=O ZINC000361453705 261274628 /nfs/dbraw/zinc/27/46/28/261274628.db2.gz ICPDDZULAAHNOR-AWEZNQCLSA-N 0 3 250.386 2.428 20 30 CEEDHN C#CCNC(=O)CCNCc1ccc(C2CCC2)cc1 ZINC000491068740 261315615 /nfs/dbraw/zinc/31/56/15/261315615.db2.gz QNOZCMGVGLZMPF-UHFFFAOYSA-N 0 3 270.376 2.183 20 30 CEEDHN COc1cccc([C@@H](O)CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185713625 262067917 /nfs/dbraw/zinc/06/79/17/262067917.db2.gz LOIXFVBEQRZZIT-BJJXKVORSA-N 0 3 274.364 2.401 20 30 CEEDHN CC#CCCN1CCC[C@H](C(=O)Nc2ncccc2C)C1 ZINC000364035771 262111337 /nfs/dbraw/zinc/11/13/37/262111337.db2.gz QPOAFNJLZTXLSC-HNNXBMFYSA-N 0 3 285.391 2.454 20 30 CEEDHN C=CCCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000364292427 262196268 /nfs/dbraw/zinc/19/62/68/262196268.db2.gz MZJGKPIZHTXACM-KGLIPLIRSA-N 0 3 265.401 2.221 20 30 CEEDHN N#C[C@H]1CCC[C@H](NCc2ccc(NC(N)=O)cc2)C1 ZINC000192645732 262207067 /nfs/dbraw/zinc/20/70/67/262207067.db2.gz GPZNAXRPEXTOBF-JSGCOSHPSA-N 0 3 272.352 2.349 20 30 CEEDHN N#C[C@H]1CCC[C@H](NCCn2c3ccccc3[nH]c2=O)C1 ZINC000193015301 262214493 /nfs/dbraw/zinc/21/44/93/262214493.db2.gz LPGWOWOCMKIUIM-STQMWFEESA-N 0 3 284.363 2.002 20 30 CEEDHN N#CCCCCN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000306104685 262279378 /nfs/dbraw/zinc/27/93/78/262279378.db2.gz ROPUHWYMHWTHNF-LLVKDONJSA-N 0 3 264.291 2.460 20 30 CEEDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C1(C#N)CCCC1 ZINC000365638118 262376926 /nfs/dbraw/zinc/37/69/26/262376926.db2.gz XKZOGCHJKVVEIX-KBPBESRZSA-N 0 3 275.396 2.156 20 30 CEEDHN Cc1nsc(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1C#N ZINC000488751290 262388855 /nfs/dbraw/zinc/38/88/55/262388855.db2.gz MTIRRLJDMXTVKR-JTNHKYCSSA-N 0 3 290.436 2.490 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@](C)(OC)CC1 ZINC000366487819 262664636 /nfs/dbraw/zinc/66/46/36/262664636.db2.gz NOZCXCIZADMOIQ-MRXNPFEDSA-N 0 3 282.428 2.302 20 30 CEEDHN CN(C)C/C=C/C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000265701024 262911272 /nfs/dbraw/zinc/91/12/72/262911272.db2.gz QQJXMYHKDNXREM-ITDFMYJTSA-N 0 3 277.755 2.139 20 30 CEEDHN Cn1cc(CNCCCC#N)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000273107989 263012665 /nfs/dbraw/zinc/01/26/65/263012665.db2.gz WXSIXSUKGYZLRC-UHFFFAOYSA-N 0 3 299.334 2.389 20 30 CEEDHN COC(=O)[C@@H](C)Oc1ccc(CNCCCC#N)cc1 ZINC000273207208 263013960 /nfs/dbraw/zinc/01/39/60/263013960.db2.gz SKGRCCHFCKXMHN-GFCCVEGCSA-N 0 3 276.336 2.020 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000452127900 263038902 /nfs/dbraw/zinc/03/89/02/263038902.db2.gz UHBQCEILGZHUMK-MGPQQGTHSA-N 0 3 264.413 2.387 20 30 CEEDHN CC(=O)Nc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cn1 ZINC000279000734 263052358 /nfs/dbraw/zinc/05/23/58/263052358.db2.gz FUVQXXZVJODUIS-OCCSQVGLSA-N 0 3 272.352 2.212 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC=CCC2)cc1 ZINC000280455408 263061995 /nfs/dbraw/zinc/06/19/95/263061995.db2.gz NZBRROFXBNNQNM-JKSUJKDBSA-N 0 3 279.343 2.465 20 30 CEEDHN C=C[C@@H](CC(=O)NC[C@H](C)N(C)C)c1ccccc1 ZINC000340071809 263066623 /nfs/dbraw/zinc/06/66/23/263066623.db2.gz AKOSKFSOIABZBJ-KBPBESRZSA-N 0 3 260.381 2.413 20 30 CEEDHN CCN1CCC(N(C)C(=O)c2ccc(CC#N)cc2)CC1 ZINC000340120039 263072932 /nfs/dbraw/zinc/07/29/32/263072932.db2.gz NFHVCCXXANJGRQ-UHFFFAOYSA-N 0 3 285.391 2.309 20 30 CEEDHN N#CC1CCC(CN[C@H](C(N)=O)c2ccccc2)CC1 ZINC000282258773 263075300 /nfs/dbraw/zinc/07/53/00/263075300.db2.gz HKMIRWZWWOFWPO-PIMMBPRGSA-N 0 3 271.364 2.133 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@H](c2cccs2)C[C@H]1C ZINC000366616574 263076625 /nfs/dbraw/zinc/07/66/25/263076625.db2.gz BACSXJNPOKBTOT-FRRDWIJNSA-N 0 3 276.405 2.064 20 30 CEEDHN CCc1ccc([C@H](O)CNC(=N)Nc2ccccn2)cc1 ZINC000285168976 263091020 /nfs/dbraw/zinc/09/10/20/263091020.db2.gz TVFDQVJMDQUWJA-CQSZACIVSA-N 0 3 284.363 2.104 20 30 CEEDHN CC(C)C[C@H](CNC(=O)c1cscc1C#N)N(C)C ZINC000340291133 263105292 /nfs/dbraw/zinc/10/52/92/263105292.db2.gz UMWOFJJEJQNBCV-GFCCVEGCSA-N 0 3 279.409 2.326 20 30 CEEDHN C#CCN(CC)Cc1ccc(COCCOC)cc1 ZINC000289269863 263108497 /nfs/dbraw/zinc/10/84/97/263108497.db2.gz DZMNRGXUPZGDTH-UHFFFAOYSA-N 0 3 261.365 2.305 20 30 CEEDHN N#CCCCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000290932548 263119251 /nfs/dbraw/zinc/11/92/51/263119251.db2.gz JGONNJHCZJYFAE-UHFFFAOYSA-N 0 3 285.391 2.461 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCC#N ZINC000291576284 263123914 /nfs/dbraw/zinc/12/39/14/263123914.db2.gz VXHJKMGSCANTMK-UHFFFAOYSA-N 0 3 298.390 2.142 20 30 CEEDHN N#CCCCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292069982 263127918 /nfs/dbraw/zinc/12/79/18/263127918.db2.gz CPOUGCDPCWHYAT-CQSZACIVSA-N 0 3 270.336 2.100 20 30 CEEDHN N#CCCOCCN[C@H](CCO)c1ccc(Cl)cc1 ZINC000293649276 263145918 /nfs/dbraw/zinc/14/59/18/263145918.db2.gz SIDMIXZRJMHXNW-CQSZACIVSA-N 0 3 282.771 2.283 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@H](CC(N)=O)c2ccccc2)C1 ZINC000293705247 263147297 /nfs/dbraw/zinc/14/72/97/263147297.db2.gz RYAQDQHPLFDCKB-VHDGCEQUSA-N 0 3 271.364 2.275 20 30 CEEDHN C#CCN(C)CCCN[C@@H](C)c1ccc(Cl)cn1 ZINC000295123590 263172666 /nfs/dbraw/zinc/17/26/66/263172666.db2.gz YYYLXZFXZPQLOC-LBPRGKRZSA-N 0 3 265.788 2.341 20 30 CEEDHN CC(C)(C#N)CCN1C[C@H]2C[C@@H](C1)Cn1c2cccc1=O ZINC000295688977 263181316 /nfs/dbraw/zinc/18/13/16/263181316.db2.gz SKKZPCGRODILON-UONOGXRCSA-N 0 3 285.391 2.207 20 30 CEEDHN C=CCn1c(C)cc(C(=O)CON=C(N)CC)c1C ZINC000298803253 263225998 /nfs/dbraw/zinc/22/59/98/263225998.db2.gz ZXRSMBIDCVTPSN-UHFFFAOYSA-N 0 3 263.341 2.172 20 30 CEEDHN N#CC1(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CCC1 ZINC000299532588 263245565 /nfs/dbraw/zinc/24/55/65/263245565.db2.gz UGENRAGYVLRBQJ-MRXNPFEDSA-N 0 3 297.402 2.461 20 30 CEEDHN C=CCOc1cccc(NC(=O)N2C[C@@H](C)NC[C@H]2C)c1 ZINC000415018295 263255679 /nfs/dbraw/zinc/25/56/79/263255679.db2.gz UIDJFZGCXXNNON-CHWSQXEVSA-N 0 3 289.379 2.466 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCCC(F)(F)F)CC1 ZINC000341090167 263321752 /nfs/dbraw/zinc/32/17/52/263321752.db2.gz MWLNTFMSDBOMDA-UHFFFAOYSA-N 0 3 293.333 2.279 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000341183550 263326253 /nfs/dbraw/zinc/32/62/53/263326253.db2.gz ALJONZGYXQCEBE-STQMWFEESA-N 0 3 253.390 2.077 20 30 CEEDHN CC[C@H](NC(=O)C(C)C#N)c1ccc(OC)c(OC)c1 ZINC000341350145 263332040 /nfs/dbraw/zinc/33/20/40/263332040.db2.gz BGSPSKGJHQFALV-PWSUYJOCSA-N 0 3 276.336 2.431 20 30 CEEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000341890227 263363815 /nfs/dbraw/zinc/36/38/15/263363815.db2.gz TURKYVZGXAKGTO-RYUDHWBXSA-N 0 3 264.325 2.430 20 30 CEEDHN COCC1(C#N)CCN(CCC(C)(C)OC)CC1 ZINC000341979530 263369694 /nfs/dbraw/zinc/36/96/94/263369694.db2.gz BIMZWIFPZYYSBX-UHFFFAOYSA-N 0 3 254.374 2.054 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000342007265 263376983 /nfs/dbraw/zinc/37/69/83/263376983.db2.gz GSDVTAXJOSJEMC-TZMCWYRMSA-N 0 3 250.386 2.284 20 30 CEEDHN COCCCCCN1CCC(C#N)(COC)CC1 ZINC000341986997 263381101 /nfs/dbraw/zinc/38/11/01/263381101.db2.gz GJIWOGMHMGDALU-UHFFFAOYSA-N 0 3 254.374 2.055 20 30 CEEDHN CC#CCN[C@@H](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC000342106209 263388430 /nfs/dbraw/zinc/38/84/30/263388430.db2.gz VWIKCLCAMKBNEY-DZGCQCFKSA-N 0 3 259.349 2.020 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CC(C)(C)CC(C)(C)C1 ZINC000342375788 263426825 /nfs/dbraw/zinc/42/68/25/263426825.db2.gz WVINDYJPWYQAPG-GFCCVEGCSA-N 0 3 295.427 2.145 20 30 CEEDHN C#C[C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000874863188 649858297 /nfs/dbraw/zinc/85/82/97/649858297.db2.gz KANNGTKMKGOXHL-BIQWYFBQSA-N 0 3 262.397 2.167 20 30 CEEDHN C#C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC000874864646 649858692 /nfs/dbraw/zinc/85/86/92/649858692.db2.gz NZHSUJKHNKTERB-KKUMJFAQSA-N 0 3 262.397 2.169 20 30 CEEDHN CCCc1nc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)co1 ZINC000330838373 264052008 /nfs/dbraw/zinc/05/20/08/264052008.db2.gz YAOGFDHVAQIOSX-GHMZBOCLSA-N 0 3 265.357 2.414 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)C[C@@H]1CC=CCC1 ZINC000330851321 264067812 /nfs/dbraw/zinc/06/78/12/264067812.db2.gz QBMAEQJWFIYVKE-GDBMZVCRSA-N 0 3 277.412 2.329 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)NC[C@H](C)N(C)C ZINC000331175857 264154003 /nfs/dbraw/zinc/15/40/03/264154003.db2.gz FICCLOBEQMPRRY-JTQLQIEISA-N 0 3 260.341 2.143 20 30 CEEDHN CC1(NC(=O)C(C#N)CCc2ccccc2)CCOCC1 ZINC000331208339 264161791 /nfs/dbraw/zinc/16/17/91/264161791.db2.gz VUNRFFOZZNPVDS-OAHLLOKOSA-N 0 3 286.375 2.444 20 30 CEEDHN CCCNC(=O)NC(=O)CN(C)[C@@H](C)C1CCCCC1 ZINC000331323236 264189739 /nfs/dbraw/zinc/18/97/39/264189739.db2.gz CZJGHYSOWJTTIN-LBPRGKRZSA-N 0 3 283.416 2.327 20 30 CEEDHN C=C[C@@H](C)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000128239390 264288872 /nfs/dbraw/zinc/28/88/72/264288872.db2.gz PUABLDHSHQEXKQ-KGLIPLIRSA-N 0 3 275.396 2.381 20 30 CEEDHN C=CCCCN(C)CC(=O)NCCOc1ccccc1 ZINC000076736162 264343613 /nfs/dbraw/zinc/34/36/13/264343613.db2.gz BXLPPOFFOYDUBR-UHFFFAOYSA-N 0 3 276.380 2.080 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccc3c2CCCN3)CC1 ZINC000190154265 264351264 /nfs/dbraw/zinc/35/12/64/264351264.db2.gz XJFBHLCTONIENJ-UHFFFAOYSA-N 0 3 299.418 2.425 20 30 CEEDHN C#C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000281089894 264465706 /nfs/dbraw/zinc/46/57/06/264465706.db2.gz OXQBNMNXJINJSM-CVEARBPZSA-N 0 3 287.407 2.246 20 30 CEEDHN C=CCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000285864096 264564401 /nfs/dbraw/zinc/56/44/01/264564401.db2.gz IQDNNIWWOQWNNQ-SFHVURJKSA-N 0 3 285.435 2.065 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000294063986 265005499 /nfs/dbraw/zinc/00/54/99/265005499.db2.gz VEFVIOCMUWDNGO-HZPDHXFCSA-N 0 3 288.366 2.001 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C(C)=C/C(C)(C)C ZINC000294098170 265006793 /nfs/dbraw/zinc/00/67/93/265006793.db2.gz YCIOXYCOEHVYRU-OUKQBFOZSA-N 0 3 250.386 2.050 20 30 CEEDHN C=CCC(F)(F)C(=O)NCCN(C)Cc1ccccc1 ZINC000294367136 265013295 /nfs/dbraw/zinc/01/32/95/265013295.db2.gz AWORKZXVXPLCJX-UHFFFAOYSA-N 0 3 282.334 2.446 20 30 CEEDHN COc1cc(C#N)ccc1NC(=O)NC(C)(C)CN(C)C ZINC000520977557 265196157 /nfs/dbraw/zinc/19/61/57/265196157.db2.gz BCFAOJAJCHULTF-UHFFFAOYSA-N 0 3 290.367 2.029 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000356165692 266060064 /nfs/dbraw/zinc/06/00/64/266060064.db2.gz MDOZVLWNNCXUHE-GHMZBOCLSA-N 0 3 286.310 2.348 20 30 CEEDHN CN1CC=C(CNC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000356680431 266158287 /nfs/dbraw/zinc/15/82/87/266158287.db2.gz RUIGHFOGXTYRRW-QGZVFWFLSA-N 0 3 297.402 2.452 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@H](C)C(F)(F)F)CC1 ZINC000357074219 266242267 /nfs/dbraw/zinc/24/22/67/266242267.db2.gz JAPPRUUXYAAEJH-JTQLQIEISA-N 0 3 293.333 2.134 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1[C@@H](C)CC[C@@H]1CC ZINC000357556292 266323731 /nfs/dbraw/zinc/32/37/31/266323731.db2.gz VRDRUPLYOUZSDO-KBPBESRZSA-N 0 3 250.386 2.450 20 30 CEEDHN C=CCN(C(=O)NCCN1CCC[C@H](C)C1)C1CC1 ZINC000357566064 266326726 /nfs/dbraw/zinc/32/67/26/266326726.db2.gz FKNGWFYUMGOZNH-ZDUSSCGKSA-N 0 3 265.401 2.078 20 30 CEEDHN CCN(Cc1ccc(OC)c(OC)c1)C(=O)C(C)C#N ZINC000357809464 266368960 /nfs/dbraw/zinc/36/89/60/266368960.db2.gz WLCNINFJFHCZCN-LLVKDONJSA-N 0 3 276.336 2.212 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000362898442 267058188 /nfs/dbraw/zinc/05/81/88/267058188.db2.gz IINFUOONEDVDRM-YOEHRIQHSA-N 0 3 299.418 2.027 20 30 CEEDHN CCN(Cc1ccc(CN(C)C)cc1)c1cncc(C#N)n1 ZINC000420591451 267070013 /nfs/dbraw/zinc/07/00/13/267070013.db2.gz YIZXZKLJINMOIZ-UHFFFAOYSA-N 0 3 295.390 2.436 20 30 CEEDHN CC(C)(CCC#N)CN1CCN([C@H]2CCSC2)CC1 ZINC000367540824 267098255 /nfs/dbraw/zinc/09/82/55/267098255.db2.gz AUCKSZIOVXSDJL-AWEZNQCLSA-N 0 3 281.469 2.439 20 30 CEEDHN CC[C@H](CC#N)NC1CCN(C(=O)c2ccco2)CC1 ZINC000368135306 267147894 /nfs/dbraw/zinc/14/78/94/267147894.db2.gz ODZGYSGKKWDTBO-GFCCVEGCSA-N 0 3 275.352 2.166 20 30 CEEDHN CCO[C@H]1CCN(Cc2cc(C#N)n(C)c2)C[C@H]1C ZINC000449510936 267155985 /nfs/dbraw/zinc/15/59/85/267155985.db2.gz XUSWYJPLCZWQCH-DOMZBBRYSA-N 0 3 261.369 2.144 20 30 CEEDHN C#CCCCN[C@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000368379708 267167368 /nfs/dbraw/zinc/16/73/68/267167368.db2.gz GUWXMFNHIDIFOB-ZDUSSCGKSA-N 0 3 281.352 2.047 20 30 CEEDHN C=CC[C@@H](C)NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000117025836 267199952 /nfs/dbraw/zinc/19/99/52/267199952.db2.gz UMOZENBOOYOXQG-ZBFHGGJFSA-N 0 3 289.423 2.423 20 30 CEEDHN CC[C@H](NC[C@@H](O)COCC1CC1)c1ccc(C#N)cc1 ZINC000447537148 267221677 /nfs/dbraw/zinc/22/16/77/267221677.db2.gz SUTUGFBCZZAWKW-SJORKVTESA-N 0 3 288.391 2.386 20 30 CEEDHN CN1CC[C@@H](CNC(=O)C(C)(C)C#N)[C@H]1c1cccs1 ZINC000369569020 267252425 /nfs/dbraw/zinc/25/24/25/267252425.db2.gz MUWZSRPPFKJAPI-AAEUAGOBSA-N 0 3 291.420 2.407 20 30 CEEDHN CN(C)CCSCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000519604972 267281283 /nfs/dbraw/zinc/28/12/83/267281283.db2.gz MHXJNMCIXINOAX-UHFFFAOYSA-N 0 3 265.338 2.261 20 30 CEEDHN CC(C)(C#N)CCCN1CCCN(c2ncccn2)CC1 ZINC000369998697 267281794 /nfs/dbraw/zinc/28/17/94/267281794.db2.gz SPECISCQSVGADB-UHFFFAOYSA-N 0 3 287.411 2.319 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000370091564 267289759 /nfs/dbraw/zinc/28/97/59/267289759.db2.gz KMMQJXPDAKNUFL-ZJIFWQFVSA-N 0 3 292.423 2.053 20 30 CEEDHN C#CCCN1CCC[C@@H](C(=O)Nc2ncccc2C)C1 ZINC000371194735 267368041 /nfs/dbraw/zinc/36/80/41/267368041.db2.gz GCLKOKHJYLHWHW-CQSZACIVSA-N 0 3 271.364 2.064 20 30 CEEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@](O)(C3CC3)C2)cc1 ZINC000373322733 267663615 /nfs/dbraw/zinc/66/36/15/267663615.db2.gz JOORWPSKRGTPLB-CXAGYDPISA-N 0 3 286.375 2.324 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCCN(CC(C)C)CC1 ZINC000377103390 268047666 /nfs/dbraw/zinc/04/76/66/268047666.db2.gz MTSZUVTXOAQRGU-HZPDHXFCSA-N 0 3 294.439 2.158 20 30 CEEDHN CSCCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000193145848 270283217 /nfs/dbraw/zinc/28/32/17/270283217.db2.gz QRJOWLOMIJPSJJ-UHFFFAOYSA-N 0 3 289.448 2.429 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425064994 271115539 /nfs/dbraw/zinc/11/55/39/271115539.db2.gz JMWXSURQWAHIEO-GOEBONIOSA-N 0 3 283.375 2.033 20 30 CEEDHN C[C@H](N[C@H](CO)CC(F)F)c1ccc(C#N)c(F)c1 ZINC000429444003 271331818 /nfs/dbraw/zinc/33/18/18/271331818.db2.gz ARQYKHGBBFWCOG-KWQFWETISA-N 0 3 272.270 2.364 20 30 CEEDHN C[C@H](N[C@H](CO)CC(F)F)c1cccc(C#N)c1 ZINC000429454213 271332296 /nfs/dbraw/zinc/33/22/96/271332296.db2.gz NRENXSFGNWUHHI-CABZTGNLSA-N 0 3 254.280 2.225 20 30 CEEDHN C[C@H](NCC1([S@](C)=O)CC1)c1ccc(C#N)cc1F ZINC000442802519 271834849 /nfs/dbraw/zinc/83/48/49/271834849.db2.gz PWKFIZNYQGCKMQ-OVWNDWIMSA-N 0 3 280.368 2.259 20 30 CEEDHN CCN(CC)[C@H](CNc1ccc(C#N)nn1)c1ccco1 ZINC000301967325 276119551 /nfs/dbraw/zinc/11/95/51/276119551.db2.gz LGIPPTLHVTZRGZ-CYBMUJFWSA-N 0 3 285.351 2.436 20 30 CEEDHN CCN(CCC#N)C(=O)CN1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000355788332 276341951 /nfs/dbraw/zinc/34/19/51/276341951.db2.gz WHMBYGVDXDHZAS-MGPQQGTHSA-N 0 3 265.401 2.115 20 30 CEEDHN CC[C@@H]1CN(CCN[C@H]2CCc3ccc(C#N)cc32)CCO1 ZINC000353597672 276492005 /nfs/dbraw/zinc/49/20/05/276492005.db2.gz QSVVNGYXPPUZFH-AEFFLSMTSA-N 0 3 299.418 2.246 20 30 CEEDHN CN1CC[C@@H]2CCN(c3nc4c(cc3C#N)CCCC4)C[C@H]21 ZINC000375038592 277147440 /nfs/dbraw/zinc/14/74/40/277147440.db2.gz LVCKRAXVQAJQJI-CXAGYDPISA-N 0 3 296.418 2.362 20 30 CEEDHN COC[C@H](N[C@@H](C)c1cccc(C#N)c1)[C@H]1CCCO1 ZINC000278703565 277263016 /nfs/dbraw/zinc/26/30/16/277263016.db2.gz JQPAYSZTAPSZEQ-VBNZEHGJSA-N 0 3 274.364 2.403 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(C#N)o1 ZINC000309820694 278179470 /nfs/dbraw/zinc/17/94/70/278179470.db2.gz ZJUIIMPLBXWBCJ-CYBMUJFWSA-N 0 3 297.358 2.402 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000335686948 278305722 /nfs/dbraw/zinc/30/57/22/278305722.db2.gz GJNDECMKPRDRFY-CXAGYDPISA-N 0 3 283.375 2.221 20 30 CEEDHN Cc1nnc(N[C@H](C)CN2CCCCC2)c(C#N)c1C ZINC000047873369 279230133 /nfs/dbraw/zinc/23/01/33/279230133.db2.gz FYZKXORXNPNHHQ-LLVKDONJSA-N 0 3 273.384 2.251 20 30 CEEDHN C[C@H](CO[C@@H]1CCOC1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000132972910 279987701 /nfs/dbraw/zinc/98/77/01/279987701.db2.gz KAKPAMDVOCJDCC-DVOMOZLQSA-N 0 3 274.364 2.403 20 30 CEEDHN CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CCCN(C)C1 ZINC000157586717 289217414 /nfs/dbraw/zinc/21/74/14/289217414.db2.gz CVAWBHUMOQYJKD-CYBMUJFWSA-N 0 3 291.782 2.378 20 30 CEEDHN C[C@H](C(=O)N(C)CC(C)(C)C#N)N1CCCCCC1 ZINC000353290282 289250500 /nfs/dbraw/zinc/25/05/00/289250500.db2.gz RDCWNYKXELSNQE-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN C[C@H](CNC(=O)N[C@]1(C)CCO[C@H]1C)N1CCC[C@@H](C)C1 ZINC000329727286 289395795 /nfs/dbraw/zinc/39/57/95/289395795.db2.gz FDUBEDMPFOXOLV-HGTKMLMNSA-N 0 3 297.443 2.178 20 30 CEEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCC[C@@H]2CCC[C@H]21 ZINC000329610669 295384323 /nfs/dbraw/zinc/38/43/23/295384323.db2.gz NUVHUWBGZNPBIL-YWPYICTPSA-N 0 3 288.395 2.446 20 30 CEEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC[C@@H]2CCC[C@H]21 ZINC000329610669 295384325 /nfs/dbraw/zinc/38/43/25/295384325.db2.gz NUVHUWBGZNPBIL-YWPYICTPSA-N 0 3 288.395 2.446 20 30 CEEDHN COc1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)cc1C#N ZINC000566971630 299032928 /nfs/dbraw/zinc/03/29/28/299032928.db2.gz OXSDKCQMFPKZIU-CJNGLKHVSA-N 0 3 272.348 2.178 20 30 CEEDHN Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1NCCC(C)(C)C#N ZINC000347257903 302768008 /nfs/dbraw/zinc/76/80/08/302768008.db2.gz XIZYWSDDPYWAHS-DZGCQCFKSA-N 0 3 290.411 2.396 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc2c(n1)CCC2 ZINC000563021940 327768086 /nfs/dbraw/zinc/76/80/86/327768086.db2.gz BWGLUMAMNKBPHW-BBRMVZONSA-N 0 3 258.365 2.251 20 30 CEEDHN C[C@H](CCc1ccco1)NCc1cnc2c(C#N)cnn2c1 ZINC000555554287 313649959 /nfs/dbraw/zinc/64/99/59/313649959.db2.gz VUYNNBMNKOCJIS-GFCCVEGCSA-N 0 3 295.346 2.305 20 30 CEEDHN N#CC1(c2ccc(C(=O)NCCN3CCCCC3)cc2)CC1 ZINC000179910984 327804047 /nfs/dbraw/zinc/80/40/47/327804047.db2.gz BQXYEWKUWNRPRC-UHFFFAOYSA-N 0 3 297.402 2.457 20 30 CEEDHN CN(C)CCN(CC1CCCCC1)c1ccnc(C#N)n1 ZINC000573220788 314146449 /nfs/dbraw/zinc/14/64/49/314146449.db2.gz NFUZNLYFUTUNBZ-UHFFFAOYSA-N 0 3 287.411 2.297 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCCC[C@@H]1C1(O)CC1 ZINC000573569656 314169269 /nfs/dbraw/zinc/16/92/69/314169269.db2.gz GYBSSHYKQCCTKS-MRXNPFEDSA-N 0 3 286.375 2.446 20 30 CEEDHN C=CCNC(=O)CN1CC[C@@H](c2ccc(C)cc2)C1 ZINC000378646690 329058054 /nfs/dbraw/zinc/05/80/54/329058054.db2.gz HCPKIOVRIIACML-OAHLLOKOSA-N 0 3 258.365 2.087 20 30 CEEDHN N#CC1(c2ccccn2)CCN(C[C@H]2CCCC[C@@H]2O)CC1 ZINC000571289310 328098477 /nfs/dbraw/zinc/09/84/77/328098477.db2.gz XJBLLOGZONHBJU-CVEARBPZSA-N 0 3 299.418 2.490 20 30 CEEDHN COC(=O)[C@@]1(c2ccccc2)CCN([C@H](C)CCC#N)C1 ZINC000411764469 328099249 /nfs/dbraw/zinc/09/92/49/328099249.db2.gz YGAZSSCBNKTUCM-PBHICJAKSA-N 0 3 286.375 2.495 20 30 CEEDHN CC#CCN(C)CCC(=O)Nc1cccc(F)c1C ZINC000411770152 328099587 /nfs/dbraw/zinc/09/95/87/328099587.db2.gz LEETXDUUROJDMZ-UHFFFAOYSA-N 0 3 262.328 2.418 20 30 CEEDHN CC(C)(C#N)CCN1CCC[C@H](N2CCCC2=O)CC1 ZINC000412059396 328101634 /nfs/dbraw/zinc/10/16/34/328101634.db2.gz XCSNJLMVCVIHIS-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCCCCC#N ZINC000171431785 329076078 /nfs/dbraw/zinc/07/60/78/329076078.db2.gz QIZKLEPXBNJXLJ-ZIAGYGMSSA-N 0 3 280.416 2.100 20 30 CEEDHN CC(C)(C#N)CCN[C@H](CO)c1ccc(F)cc1 ZINC000273076923 328203602 /nfs/dbraw/zinc/20/36/02/328203602.db2.gz GNUTZGMBDDISTN-CYBMUJFWSA-N 0 3 250.317 2.389 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1[C@H](C)CCC1(C)C ZINC000452003292 328209983 /nfs/dbraw/zinc/20/99/83/328209983.db2.gz GBQQEHUWFCYYCK-CHWSQXEVSA-N 0 3 265.401 2.257 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NCc2cccc(-n3cncn3)c2)C1 ZINC000274240743 328210179 /nfs/dbraw/zinc/21/01/79/328210179.db2.gz VWXJOMMXAPVPMZ-DZGCQCFKSA-N 0 3 281.363 2.439 20 30 CEEDHN Cc1ccc(OC[C@H](O)CNCc2ccc(C#N)cc2)cc1 ZINC000386423663 321871409 /nfs/dbraw/zinc/87/14/09/321871409.db2.gz BMGFJJQCNJPDKW-QGZVFWFLSA-N 0 3 296.370 2.396 20 30 CEEDHN CC(C)OC[C@@H](O)CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000583495194 322550136 /nfs/dbraw/zinc/55/01/36/322550136.db2.gz ULEXDBFTFRNZII-RDJZCZTQSA-N 0 3 288.391 2.311 20 30 CEEDHN C=CCC[C@H](O)CN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000546637437 328393902 /nfs/dbraw/zinc/39/39/02/328393902.db2.gz GKEWJCODZHXCDC-STQMWFEESA-N 0 3 295.345 2.339 20 30 CEEDHN C=CC[C@@H](C)N[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000342430835 328418860 /nfs/dbraw/zinc/41/88/60/328418860.db2.gz CSBKMYMWKPQODI-DGCLKSJQSA-N 0 3 279.384 2.456 20 30 CEEDHN C=C(CC)CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000456810146 328487699 /nfs/dbraw/zinc/48/76/99/328487699.db2.gz DYBVXPZUDBOVAM-UHFFFAOYSA-N 0 3 280.412 2.104 20 30 CEEDHN C#CCN(C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000292269603 328536732 /nfs/dbraw/zinc/53/67/32/328536732.db2.gz GNIVZMHGHDZNPA-UHFFFAOYSA-N 0 3 299.418 2.234 20 30 CEEDHN C=CCN1CCC(NC(=O)C(C)(C)CC=C)CC1 ZINC000292975638 328542423 /nfs/dbraw/zinc/54/24/23/328542423.db2.gz CMQVEJAXFAWIIA-UHFFFAOYSA-N 0 3 250.386 2.355 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000556444128 326942322 /nfs/dbraw/zinc/94/23/22/326942322.db2.gz YUAMUBJBMIYDKT-WQVCFCJDSA-N 0 3 284.363 2.261 20 30 CEEDHN N#CCC[C@@H](C#N)CN[C@@H]1CCOC2(CCSCC2)C1 ZINC000584225085 327073416 /nfs/dbraw/zinc/07/34/16/327073416.db2.gz BLZVAGPWAXVJEE-UONOGXRCSA-N 0 3 293.436 2.464 20 30 CEEDHN C[C@H](O)CCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000558629109 327110990 /nfs/dbraw/zinc/11/09/90/327110990.db2.gz UMQZCDZIYJGXEF-AWEZNQCLSA-N 0 3 273.380 2.100 20 30 CEEDHN C=C(C)Cn1c(CC)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000559003295 327137820 /nfs/dbraw/zinc/13/78/20/327137820.db2.gz HQPDTTDESRPNKY-AWEZNQCLSA-N 0 3 291.443 2.193 20 30 CEEDHN CC[C@H]1CN(C)CCN1CCCC1(C#N)CCOCC1 ZINC000569421779 327175166 /nfs/dbraw/zinc/17/51/66/327175166.db2.gz QFSCJNZBUUJBLX-HNNXBMFYSA-N 0 3 279.428 2.113 20 30 CEEDHN C=CCOc1ccccc1CNCC[C@@](C)(O)COC ZINC000449383349 327185493 /nfs/dbraw/zinc/18/54/93/327185493.db2.gz GRTIWJCNMVAAOZ-MRXNPFEDSA-N 0 3 279.380 2.129 20 30 CEEDHN C[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)C(C)(C)C1 ZINC000408289378 327387711 /nfs/dbraw/zinc/38/77/11/327387711.db2.gz CQVATQJKMJXJRV-ZDUSSCGKSA-N 0 3 277.412 2.449 20 30 CEEDHN CCc1ccc([C@H](CNC(=O)[C@@H](C)C#N)N(C)C)cc1 ZINC000357828135 328876536 /nfs/dbraw/zinc/87/65/36/328876536.db2.gz OEAYBNCRQXZAGF-WFASDCNBSA-N 0 3 273.380 2.128 20 30 CEEDHN CC#CCN1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000360611295 328909272 /nfs/dbraw/zinc/90/92/72/328909272.db2.gz CYTSLSUPTYDLAE-UHFFFAOYSA-N 0 3 261.340 2.218 20 30 CEEDHN CCCCCCCCN1CCC[C@H](S(N)(=O)=O)C1 ZINC000377913297 329034515 /nfs/dbraw/zinc/03/45/15/329034515.db2.gz MNKBIWCUTDWOPZ-ZDUSSCGKSA-N 0 3 276.446 2.100 20 30 CEEDHN N#Cc1cc(NCCN2CC=CCC2)nc2ccccc12 ZINC000392903832 329064010 /nfs/dbraw/zinc/06/40/10/329064010.db2.gz SGFBXRGWYMYREJ-UHFFFAOYSA-N 0 3 278.359 2.202 20 30 CEEDHN C=CC[C@@H](CC)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000393853591 329090495 /nfs/dbraw/zinc/09/04/95/329090495.db2.gz PUFSNLCLPSWQTO-CQSZACIVSA-N 0 3 292.404 2.276 20 30 CEEDHN CC[C@H](C)CN(CC)CC(=O)N(CC)CCC#N ZINC000177846214 329193106 /nfs/dbraw/zinc/19/31/06/329193106.db2.gz XFCBNEHKOAYAPL-ZDUSSCGKSA-N 0 3 253.390 2.117 20 30 CEEDHN CC[C@H](C)CN(CC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000177853284 329193206 /nfs/dbraw/zinc/19/32/06/329193206.db2.gz WGZMXUYGDILOFN-ZFWWWQNUSA-N 0 3 267.417 2.409 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C)[C@@H]2C)CC1 ZINC000178667009 329201817 /nfs/dbraw/zinc/20/18/17/329201817.db2.gz JDYQOBDQPUCMHS-KBPBESRZSA-N 0 3 279.428 2.467 20 30 CEEDHN C=C(C)CN(C)C[C@H](O)COCc1cccc(OC)c1 ZINC000181289731 329230077 /nfs/dbraw/zinc/23/00/77/329230077.db2.gz GRTRMCYUWVVAPB-HNNXBMFYSA-N 0 3 279.380 2.081 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(Oc2cnccn2)cc1 ZINC000184272576 329258550 /nfs/dbraw/zinc/25/85/50/329258550.db2.gz LJEKGPOJALXQSI-AWEZNQCLSA-N 0 3 285.347 2.296 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(SC)c(OC)c1 ZINC000184282566 329258696 /nfs/dbraw/zinc/25/86/96/329258696.db2.gz LAKGXFMTKRZCGJ-LBPRGKRZSA-N 0 3 267.394 2.444 20 30 CEEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)NCc1ccccc1 ZINC000185795261 329332049 /nfs/dbraw/zinc/33/20/49/329332049.db2.gz PMUDWNNJOZXUEM-CWRNSKLLSA-N 0 3 285.391 2.363 20 30 CEEDHN C=CCCCN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189743475 329387900 /nfs/dbraw/zinc/38/79/00/329387900.db2.gz ZHMKQTYTQNNKFJ-UHFFFAOYSA-N 0 3 260.385 2.375 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC2(C)C)CC1 ZINC000126873634 329595010 /nfs/dbraw/zinc/59/50/10/329595010.db2.gz LTICOZOGIWAANR-ZDUSSCGKSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C(CC)CN[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000419269123 329713284 /nfs/dbraw/zinc/71/32/84/329713284.db2.gz NWAODDTVEGKLHG-CYBMUJFWSA-N 0 3 266.772 2.292 20 30 CEEDHN COC1([C@@H](C)NCC#Cc2ccccc2)CCOCC1 ZINC000421024173 329801513 /nfs/dbraw/zinc/80/15/13/329801513.db2.gz CDMIWEZRMDRZLQ-OAHLLOKOSA-N 0 3 273.376 2.212 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000421716200 330069636 /nfs/dbraw/zinc/06/96/36/330069636.db2.gz ZZXBYLQRPMJTTK-MRXNPFEDSA-N 0 3 297.402 2.408 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]2CC)CC1 ZINC000162730223 330110460 /nfs/dbraw/zinc/11/04/60/330110460.db2.gz BZYWSEPCUKANCK-DZGCQCFKSA-N 0 3 262.397 2.027 20 30 CEEDHN C[C@@H]1CC[C@H](O)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000422023171 330119490 /nfs/dbraw/zinc/11/94/90/330119490.db2.gz CTGWQBVQPARVMD-KBMXLJTQSA-N 0 3 286.375 2.131 20 30 CEEDHN CCCOc1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000424075961 330220761 /nfs/dbraw/zinc/22/07/61/330220761.db2.gz KPWXNXIZXVKMTN-GFCCVEGCSA-N 0 3 275.352 2.435 20 30 CEEDHN CC(C)CN(C(=O)[C@@H](N)CCCC#N)C1CCCC1 ZINC000424098726 330230633 /nfs/dbraw/zinc/23/06/33/330230633.db2.gz UAVDWZLZIXTITI-AWEZNQCLSA-N 0 3 265.401 2.435 20 30 CEEDHN CCCCN(CC(F)(F)F)C(=O)[C@H](N)CCCC#N ZINC000424100150 330233175 /nfs/dbraw/zinc/23/31/75/330233175.db2.gz WFZJWCCGYFPYKY-SNVBAGLBSA-N 0 3 279.306 2.199 20 30 CEEDHN CCOc1ccc(OC)cc1NC(=O)[C@H](N)CCCC#N ZINC000424111993 330240366 /nfs/dbraw/zinc/24/03/66/330240366.db2.gz HWDLZQQIDSHISO-GFCCVEGCSA-N 0 3 291.351 2.054 20 30 CEEDHN COc1cccc(F)c1[C@@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424123788 330256069 /nfs/dbraw/zinc/25/60/69/330256069.db2.gz LIVPJOIPKFKJHO-ZYHUDNBSSA-N 0 3 293.342 2.033 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000424131616 330263744 /nfs/dbraw/zinc/26/37/44/330263744.db2.gz JKBUGSJGYNQSII-HNNXBMFYSA-N 0 3 286.379 2.246 20 30 CEEDHN Cc1cc(C)c(C(=O)NC2CCN(CCCC#N)CC2)o1 ZINC000527576219 330263857 /nfs/dbraw/zinc/26/38/57/330263857.db2.gz LWSLZTPZZSVDMW-UHFFFAOYSA-N 0 3 289.379 2.394 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000424138455 330276468 /nfs/dbraw/zinc/27/64/68/330276468.db2.gz MRUJIEFLQVQLCM-JYJNAYRXSA-N 0 3 285.391 2.460 20 30 CEEDHN CC[C@@](C)(NC(=O)[C@@H](N)CCCC#N)c1nc(C)cs1 ZINC000424139703 330277995 /nfs/dbraw/zinc/27/79/95/330277995.db2.gz FEZQADJJWRZBIU-SMDDNHRTSA-N 0 3 294.424 2.214 20 30 CEEDHN CC(C)(C)C[C@H](NC(=O)[C@H](N)CCCC#N)C(F)(F)F ZINC000424187580 330321063 /nfs/dbraw/zinc/32/10/63/330321063.db2.gz JISIMEOGSSWMSW-ZJUUUORDSA-N 0 3 293.333 2.491 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(OC)ncc1F ZINC000424291502 330334859 /nfs/dbraw/zinc/33/48/59/330334859.db2.gz DNFWWDUMCQPBQP-SUNKGSAMSA-N 0 3 280.343 2.471 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCCNC(=O)CCCc2ccccc2)C1 ZINC000424320488 330340009 /nfs/dbraw/zinc/34/00/09/330340009.db2.gz HSXOHYXWIGBTJU-SJORKVTESA-N 0 3 299.418 2.407 20 30 CEEDHN CN(C)CCNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000436458842 330677754 /nfs/dbraw/zinc/67/77/54/330677754.db2.gz IXQPFMHVCGARIU-UHFFFAOYSA-N 0 3 298.390 2.236 20 30 CEEDHN COc1nccc(CNC2CCC(C)(C#N)CC2)n1 ZINC000449373342 330920018 /nfs/dbraw/zinc/92/00/18/330920018.db2.gz QIIVZTZSDDDQKF-UHFFFAOYSA-N 0 3 260.341 2.047 20 30 CEEDHN N#CC1(CN[C@H](CC(N)=O)C2CCCCC2)CCC1 ZINC000450724259 330995946 /nfs/dbraw/zinc/99/59/46/330995946.db2.gz FZFYOFWHWAAXEC-CYBMUJFWSA-N 0 3 263.385 2.094 20 30 CEEDHN C[C@@H](NCC#Cc1ccccc1Cl)[C@H](C)CO ZINC000450736627 330997086 /nfs/dbraw/zinc/99/70/86/330997086.db2.gz GLNCBTHZDTYQLT-VXGBXAGGSA-N 0 3 251.757 2.298 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000451597459 331035630 /nfs/dbraw/zinc/03/56/30/331035630.db2.gz IKPGEVHBZLDTOO-TUVASFSCSA-N 0 3 280.412 2.099 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)C1CCC(C)CC1 ZINC000451678976 331038725 /nfs/dbraw/zinc/03/87/25/331038725.db2.gz JGWGHTZHPJSPEW-FJBKBRRZSA-N 0 3 294.439 2.347 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(CC(C)C)CC(C)C ZINC000451678473 331038787 /nfs/dbraw/zinc/03/87/87/331038787.db2.gz IJRPYPTYGRUGRH-CVEARBPZSA-N 0 3 296.455 2.450 20 30 CEEDHN CCN(CCC#N)C(=O)CN1[C@@H](C)CCC1(C)C ZINC000452005069 331050147 /nfs/dbraw/zinc/05/01/47/331050147.db2.gz IWZAXXGOILEZOG-LBPRGKRZSA-N 0 3 251.374 2.011 20 30 CEEDHN Cc1cccc([C@@H](C)NCC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000452067940 331052767 /nfs/dbraw/zinc/05/27/67/331052767.db2.gz BBEZZIUNLYQRPC-CXAGYDPISA-N 0 3 285.391 2.454 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000452345834 331062939 /nfs/dbraw/zinc/06/29/39/331062939.db2.gz SIZXLFBNQUJACK-XHSDSOJGSA-N 0 3 294.439 2.204 20 30 CEEDHN CCC[C@@]1(COC)CCCN1CC(=O)N(CC)CCC#N ZINC000194929168 331079019 /nfs/dbraw/zinc/07/90/19/331079019.db2.gz WMTUJELSSLCOMH-INIZCTEOSA-N 0 3 295.427 2.030 20 30 CEEDHN C=CCC[C@H](CO)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000453337050 331118573 /nfs/dbraw/zinc/11/85/73/331118573.db2.gz BNVYXJRZXUNNCN-GXTWGEPZSA-N 0 3 251.374 2.442 20 30 CEEDHN C=CC(C)(C)CNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000454327763 331144183 /nfs/dbraw/zinc/14/41/83/331144183.db2.gz UFWUPYGXIYQYND-CYBMUJFWSA-N 0 3 267.417 2.230 20 30 CEEDHN C=CCC1(CNC(=O)NCCN(C)CCOC)CCCC1 ZINC000454434537 331146068 /nfs/dbraw/zinc/14/60/68/331146068.db2.gz LRQASPGZLBCLLI-UHFFFAOYSA-N 0 3 297.443 2.000 20 30 CEEDHN C=C(C)CCNC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000454644926 331150340 /nfs/dbraw/zinc/15/03/40/331150340.db2.gz OTGNJURSBGSIKH-UONOGXRCSA-N 0 3 267.417 2.372 20 30 CEEDHN CC#CCN(C)C(=O)Nc1ccccc1CCN(C)C ZINC000455226328 331162955 /nfs/dbraw/zinc/16/29/55/331162955.db2.gz KUELXOLVBDGDCB-UHFFFAOYSA-N 0 3 273.380 2.278 20 30 CEEDHN C=C(C)CCNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000455330666 331166466 /nfs/dbraw/zinc/16/64/66/331166466.db2.gz VJEDFODPKWOAFF-UHFFFAOYSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000455379318 331167887 /nfs/dbraw/zinc/16/78/87/331167887.db2.gz DVWVVWBEIXBPND-UHFFFAOYSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCN1CCC(NC(=O)C2=CC[C@@H](C)CC2)CC1 ZINC000455493583 331171022 /nfs/dbraw/zinc/17/10/22/331171022.db2.gz YOFUADCZFWTSGC-CYBMUJFWSA-N 0 3 262.397 2.499 20 30 CEEDHN CCn1ccnc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000456095810 331184213 /nfs/dbraw/zinc/18/42/13/331184213.db2.gz HMTLDAPTWBPDBH-HNNXBMFYSA-N 0 3 296.374 2.292 20 30 CEEDHN C=CC(C)(C)CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000456117652 331184694 /nfs/dbraw/zinc/18/46/94/331184694.db2.gz OIXJWJFLBSZPCB-UHFFFAOYSA-N 0 3 294.439 2.350 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000457485388 331224464 /nfs/dbraw/zinc/22/44/64/331224464.db2.gz JLIGMIBRGDFECH-BZUAXINKSA-N 0 3 296.455 2.450 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)N(C)CC(C)(C)C#N ZINC000458406604 331250849 /nfs/dbraw/zinc/25/08/49/331250849.db2.gz COFMDZUCPCZZLX-CQSZACIVSA-N 0 3 294.443 2.442 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458732689 331258370 /nfs/dbraw/zinc/25/83/70/331258370.db2.gz LKJCABLIMHWGNU-HOCLYGCPSA-N 0 3 279.428 2.468 20 30 CEEDHN C=C(C)CCNC(=O)N(CCC)CCN1CCCC1 ZINC000458996827 331265344 /nfs/dbraw/zinc/26/53/44/331265344.db2.gz IGLCOGVSKOGJDM-UHFFFAOYSA-N 0 3 267.417 2.470 20 30 CEEDHN C=C(CC)CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000459084534 331269766 /nfs/dbraw/zinc/26/97/66/331269766.db2.gz ULFYGBPTKJNFSO-STQMWFEESA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCN(C(=O)[C@H](C)[C@H](N)c1ccccc1)C1CC1 ZINC000165284899 331306006 /nfs/dbraw/zinc/30/60/06/331306006.db2.gz NPARKEJNIOHMQM-DOMZBBRYSA-N 0 3 258.365 2.500 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000461268051 331312230 /nfs/dbraw/zinc/31/22/30/331312230.db2.gz WQGJRJYIVVMBRZ-JKOKRWQUSA-N 0 3 292.766 2.034 20 30 CEEDHN C=CCCCS(=O)(=O)NC[C@H](C(CC)CC)N(C)C ZINC000489639153 332062571 /nfs/dbraw/zinc/06/25/71/332062571.db2.gz MUYCBGVUZOVGQR-CQSZACIVSA-N 0 3 290.473 2.238 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C)CCCCC)CC1 ZINC000490590862 332093805 /nfs/dbraw/zinc/09/38/05/332093805.db2.gz WWJJUAFABVRJRP-CQSZACIVSA-N 0 3 264.413 2.417 20 30 CEEDHN C#C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C(C)C ZINC000490627570 332096994 /nfs/dbraw/zinc/09/69/94/332096994.db2.gz CEHRHHOLGJUSQK-SJORKVTESA-N 0 3 299.418 2.068 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCC(F)(F)C2)CC1 ZINC000490803462 332116857 /nfs/dbraw/zinc/11/68/57/332116857.db2.gz NLLNRNVPKKJRMN-ZDUSSCGKSA-N 0 3 284.350 2.026 20 30 CEEDHN C#CCN(CC)CCCN(CC)CC(F)(F)F ZINC000491036864 332141146 /nfs/dbraw/zinc/14/11/46/332141146.db2.gz BJACXCBGTRJCGW-UHFFFAOYSA-N 0 3 250.308 2.216 20 30 CEEDHN C#C[C@H](C)N(C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000491045818 332142904 /nfs/dbraw/zinc/14/29/04/332142904.db2.gz NCGWPKVLANMUNP-LSDHHAIUSA-N 0 3 270.376 2.102 20 30 CEEDHN C#CCNC(=O)CCN1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000491118250 332151289 /nfs/dbraw/zinc/15/12/89/332151289.db2.gz BOJHPCSOUSQCPY-CHWSQXEVSA-N 0 3 288.366 2.273 20 30 CEEDHN C#CCNC(=O)CCN1CCC(c2ccccc2F)CC1 ZINC000491200930 332164165 /nfs/dbraw/zinc/16/41/65/332164165.db2.gz DDKXRQSIVCILCS-UHFFFAOYSA-N 0 3 288.366 2.145 20 30 CEEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000491251504 332173876 /nfs/dbraw/zinc/17/38/76/332173876.db2.gz ADAZVNGOAZRTMB-LLVKDONJSA-N 0 3 289.335 2.185 20 30 CEEDHN C#C[C@H](C)N(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000491251505 332173888 /nfs/dbraw/zinc/17/38/88/332173888.db2.gz ADAZVNGOAZRTMB-NSHDSACASA-N 0 3 289.335 2.185 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](C)c2ccccc21 ZINC000491340321 332193621 /nfs/dbraw/zinc/19/36/21/332193621.db2.gz XASBRDLWCLROJZ-AWEZNQCLSA-N 0 3 285.391 2.275 20 30 CEEDHN C#CCN1CCC(C(=O)NCC2(C)CCCCC2)CC1 ZINC000491394327 332203776 /nfs/dbraw/zinc/20/37/76/332203776.db2.gz LSDCVPWUQOQZIN-UHFFFAOYSA-N 0 3 276.424 2.418 20 30 CEEDHN C#C[C@H](NC1CCN(C(=O)OC)CC1)c1ccc(F)cc1 ZINC000491415111 332207562 /nfs/dbraw/zinc/20/75/62/332207562.db2.gz GMWBAZGJIUNOLC-HNNXBMFYSA-N 0 3 290.338 2.320 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000491440131 332211988 /nfs/dbraw/zinc/21/19/88/332211988.db2.gz NVGHXZZSMBYDHF-MRXNPFEDSA-N 0 3 278.396 2.343 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000491440558 332212034 /nfs/dbraw/zinc/21/20/34/332212034.db2.gz PLUGCYDSJMTMGC-RDJZCZTQSA-N 0 3 299.418 2.172 20 30 CEEDHN C#C[C@H](C)N(C)CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000491639070 332259391 /nfs/dbraw/zinc/25/93/91/332259391.db2.gz XVXZCUZLISIVAP-ZDUSSCGKSA-N 0 3 273.380 2.035 20 30 CEEDHN C#C[C@@H](C)N(C)CCCCN1C(=O)c2ccccc2C1=O ZINC000491641355 332260704 /nfs/dbraw/zinc/26/07/04/332260704.db2.gz QBLAHRPUFYTWHE-CYBMUJFWSA-N 0 3 284.359 2.016 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCc1ccc(Cl)s1 ZINC000491655011 332267160 /nfs/dbraw/zinc/26/71/60/332267160.db2.gz FYXJQUXRFBCLOX-UHFFFAOYSA-N 0 3 299.827 2.156 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000491678437 332282859 /nfs/dbraw/zinc/28/28/59/332282859.db2.gz BJLGDZHDSCYTJK-UHFFFAOYSA-N 0 3 278.396 2.343 20 30 CEEDHN C#CCN(C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000491744456 332322488 /nfs/dbraw/zinc/32/24/88/332322488.db2.gz ZIFDPXGQLDWAGI-GOEBONIOSA-N 0 3 285.391 2.097 20 30 CEEDHN C#CCN(C[C@@H]1CCCNC1=O)[C@H]1CCc2ccccc21 ZINC000491745049 332323089 /nfs/dbraw/zinc/32/30/89/332323089.db2.gz TUNZRFJGFYCTBI-RDJZCZTQSA-N 0 3 282.387 2.135 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1 ZINC000491755148 332329680 /nfs/dbraw/zinc/32/96/80/332329680.db2.gz YHSACWSJLDWWRV-USXIJHARSA-N 0 3 284.403 2.107 20 30 CEEDHN C#CCNC(=O)CCN(C)C/C(C)=C/c1ccccc1 ZINC000491758933 332330702 /nfs/dbraw/zinc/33/07/02/332330702.db2.gz KOMMVUNZNYBGGT-FYWRMAATSA-N 0 3 270.376 2.161 20 30 CEEDHN C#C[C@H](CC)N[C@@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000491810070 332362736 /nfs/dbraw/zinc/36/27/36/332362736.db2.gz ZSVFVPBAIMYUFM-QWHCGFSZSA-N 0 3 274.364 2.414 20 30 CEEDHN C#CCN(C[C@@H](O)CCOCC)[C@H]1CCc2ccccc21 ZINC000491816853 332367375 /nfs/dbraw/zinc/36/73/75/332367375.db2.gz HYISULYCKMNBBN-WMZOPIPTSA-N 0 3 287.403 2.397 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C/c2ccc(C)cn2)CC1 ZINC000492458743 332398384 /nfs/dbraw/zinc/39/83/84/332398384.db2.gz LYXADEJFTIMOBD-BQYQJAHWSA-N 0 3 297.402 2.007 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000568958495 334848244 /nfs/dbraw/zinc/84/82/44/334848244.db2.gz YBVMWAMZORKTSK-MLPRRRGUSA-N 0 3 280.412 2.003 20 30 CEEDHN C#CCNC[C@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000304032079 332964966 /nfs/dbraw/zinc/96/49/66/332964966.db2.gz GOAGRGXQWKRNNB-LBPRGKRZSA-N 0 3 257.255 2.136 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2C=CCCC2)CC1 ZINC000176598174 333044050 /nfs/dbraw/zinc/04/40/50/333044050.db2.gz WUTFBUHDIQJFNZ-CYBMUJFWSA-N 0 3 263.385 2.045 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(C2CC2)s1 ZINC000517501482 333100858 /nfs/dbraw/zinc/10/08/58/333100858.db2.gz GPIYFSDWUBHZFV-NEPJUHHUSA-N 0 3 250.367 2.454 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000185812385 333149418 /nfs/dbraw/zinc/14/94/18/333149418.db2.gz SMCBCDGNDUCPCM-RWMBFGLXSA-N 0 3 250.386 2.330 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@H](C)CC2)CC1 ZINC000188919037 333176372 /nfs/dbraw/zinc/17/63/72/333176372.db2.gz FCAQBQPGIJYHPA-HOCLYGCPSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN(C[C@@H]1CC2(CCC2)C(=O)O1)C1CCCC1 ZINC000192068805 333229158 /nfs/dbraw/zinc/22/91/58/333229158.db2.gz PKJWUNFGEWDPIT-AWEZNQCLSA-N 0 3 261.365 2.350 20 30 CEEDHN C=C(C)COCCNCc1cc2c(c(OC)c1)OCO2 ZINC000125800437 333573789 /nfs/dbraw/zinc/57/37/89/333573789.db2.gz HGQRNMFQKPLYSV-UHFFFAOYSA-N 0 3 279.336 2.106 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000547393897 334085437 /nfs/dbraw/zinc/08/54/37/334085437.db2.gz HOMHEMCVQHOJPK-NWDGAFQWSA-N 0 3 264.325 2.491 20 30 CEEDHN C[C@H](CNC(=O)N1CCC(CCC#N)CC1)N(C)C1CC1 ZINC000576223586 335172810 /nfs/dbraw/zinc/17/28/10/335172810.db2.gz BTSQWFWCRZXRMM-CYBMUJFWSA-N 0 3 292.427 2.194 20 30 CEEDHN C=CCC[C@H](O)CN(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247356299 334279675 /nfs/dbraw/zinc/27/96/75/334279675.db2.gz KBNSDSTZRWERPF-KGLIPLIRSA-N 0 3 298.427 2.255 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000247504581 334282964 /nfs/dbraw/zinc/28/29/64/334282964.db2.gz LZOTZXRBFBAKAI-DZKIICNBSA-N 0 3 277.412 2.305 20 30 CEEDHN CC[C@H](C)CN(CC)CC(=O)N(CC)C[C@H](C)C#N ZINC000248359050 334298878 /nfs/dbraw/zinc/29/88/78/334298878.db2.gz RMXAKVLSOHVMQF-UONOGXRCSA-N 0 3 267.417 2.363 20 30 CEEDHN C[C@H](C#N)CN[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000248609072 334308882 /nfs/dbraw/zinc/30/88/82/334308882.db2.gz KLPQSJYASAHCCM-YCPHGPKFSA-N 0 3 257.381 2.256 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H](C)[C@@H]2CO)cc1OC ZINC000249070250 334326591 /nfs/dbraw/zinc/32/65/91/334326591.db2.gz JNFVKYHJBQWLKW-HIFRSBDPSA-N 0 3 291.391 2.463 20 30 CEEDHN CC(C)C[C@H](CCO)CNC[C@H](C#N)CCC#N ZINC000564854914 334524273 /nfs/dbraw/zinc/52/42/73/334524273.db2.gz UECCYKPJEFRXGA-KBPBESRZSA-N 0 3 251.374 2.064 20 30 CEEDHN C[C@@H](NC[C@@H](O)CN(C)CCC#N)c1cccc(Cl)c1 ZINC000565887704 334606122 /nfs/dbraw/zinc/60/61/22/334606122.db2.gz BIIUHRWIZKXERK-IUODEOHRSA-N 0 3 295.814 2.197 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@H]2COc3cc(F)ccc3C2)C1 ZINC000566501655 334653306 /nfs/dbraw/zinc/65/33/06/334653306.db2.gz SEVQXMUGZGMUDV-LERXQTSPSA-N 0 3 260.312 2.411 20 30 CEEDHN CC(=O)Nc1cccc([C@H](C)NCCOCCC#N)c1 ZINC000293787903 334892201 /nfs/dbraw/zinc/89/22/01/334892201.db2.gz MFNVGBLHLSJWDA-LBPRGKRZSA-N 0 3 275.352 2.226 20 30 CEEDHN CCC[C@H](C#N)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000573091335 334907335 /nfs/dbraw/zinc/90/73/35/334907335.db2.gz MUWFPYOYOQKDJG-CABCVRRESA-N 0 3 273.380 2.488 20 30 CEEDHN COC[C@@H](C)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000573186745 334915554 /nfs/dbraw/zinc/91/55/54/334915554.db2.gz ATIOXYKRUIOAOD-AWEZNQCLSA-N 0 3 273.380 2.221 20 30 CEEDHN N#CCC[C@H](C#N)CNCC1Cc2ccccc2C1 ZINC000576455688 335205365 /nfs/dbraw/zinc/20/53/65/335205365.db2.gz YXRUQBWJERNPPL-CYBMUJFWSA-N 0 3 253.349 2.435 20 30 CEEDHN COC(=O)[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000343542979 335208543 /nfs/dbraw/zinc/20/85/43/335208543.db2.gz WMSQBTKKGAEPNL-HNNXBMFYSA-N 0 3 272.348 2.138 20 30 CEEDHN N#CC1(c2ccccn2)CCN(C[C@H]2CCCOC2)CC1 ZINC000576649792 335231358 /nfs/dbraw/zinc/23/13/58/335231358.db2.gz IQHZPXCPSWAIJY-OAHLLOKOSA-N 0 3 285.391 2.365 20 30 CEEDHN C[C@H](C#N)CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000176822000 335331906 /nfs/dbraw/zinc/33/19/06/335331906.db2.gz OPEBWXXKAOKRGB-LLVKDONJSA-N 0 3 260.341 2.029 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000577488019 335357824 /nfs/dbraw/zinc/35/78/24/335357824.db2.gz NEKKRCJHCRBRPC-ILXRZTDVSA-N 0 3 277.412 2.259 20 30 CEEDHN C=CCCCCCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000581496980 336090136 /nfs/dbraw/zinc/09/01/36/336090136.db2.gz HROMMEXLFPIICR-HNNXBMFYSA-N 0 3 299.484 2.469 20 30 CEEDHN CCc1nc(CN2CCC(CNCCC#N)CC2)cs1 ZINC000581603169 336110111 /nfs/dbraw/zinc/11/01/11/336110111.db2.gz NCBISAJEDZLBHB-UHFFFAOYSA-N 0 3 292.452 2.421 20 30 CEEDHN CCCN(CC(=O)N(CC)C[C@H](C)C#N)C(C)C ZINC000581734688 336140132 /nfs/dbraw/zinc/14/01/32/336140132.db2.gz UBEXWFDSMXDERS-CYBMUJFWSA-N 0 3 253.390 2.115 20 30 CEEDHN COC[C@H](NCc1cc(C#N)ccc1OC)C(C)C ZINC000130341867 500821055 /nfs/dbraw/zinc/82/10/55/500821055.db2.gz LHZKDHYIDXDZGK-AWEZNQCLSA-N 0 3 262.353 2.327 20 30 CEEDHN C=CCOc1ccc(CNCC[C@@H](C)[S@@](C)=O)cc1 ZINC000129411934 517334886 /nfs/dbraw/zinc/33/48/86/517334886.db2.gz JPNQNMGXIMRKND-YJYMSZOUSA-N 0 3 281.421 2.498 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000345709492 534281940 /nfs/dbraw/zinc/28/19/40/534281940.db2.gz JBHSZVLWAWRNQQ-LLVKDONJSA-N 0 3 253.305 2.209 20 30 CEEDHN C=CCC[C@@H](O)CN[C@H](CCO)c1ccc(OC)cc1 ZINC000182403979 518721210 /nfs/dbraw/zinc/72/12/10/518721210.db2.gz AAEFRDBIDLWQLI-GDBMZVCRSA-N 0 3 279.380 2.035 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](C)CC1 ZINC000068837947 518762912 /nfs/dbraw/zinc/76/29/12/518762912.db2.gz RHRPRNPWGRBATK-CQSZACIVSA-N 0 3 250.386 2.309 20 30 CEEDHN C=CCNC(=O)NC(=O)CN(CC1CCCCC1)C1CC1 ZINC000052244347 518905276 /nfs/dbraw/zinc/90/52/76/518905276.db2.gz RUTHVXHYZBTXSQ-UHFFFAOYSA-N 0 3 293.411 2.043 20 30 CEEDHN CC[C@@H](C)N1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000055066481 522123541 /nfs/dbraw/zinc/12/35/41/522123541.db2.gz BBGRDIRUTYWBPM-PBHICJAKSA-N 0 3 287.407 2.008 20 30 CEEDHN C[C@@H](CN1CCCCC1)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000050442464 524610845 /nfs/dbraw/zinc/61/08/45/524610845.db2.gz PEXKABREQXXBSF-NSHDSACASA-N 0 3 289.339 2.148 20 30 CEEDHN Cc1cccc(OC[C@H](O)CNCc2ccc(C#N)cc2)c1 ZINC000048367665 524762743 /nfs/dbraw/zinc/76/27/43/524762743.db2.gz CVTQHVFBLIRHMZ-QGZVFWFLSA-N 0 3 296.370 2.396 20 30 CEEDHN C=CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114780343 526612595 /nfs/dbraw/zinc/61/25/95/526612595.db2.gz DEVFISHYHMKQCY-OAHLLOKOSA-N 0 3 273.380 2.136 20 30 CEEDHN C=C(C)COCCNCc1cc(-c2cccnc2)n[nH]1 ZINC000344967567 526653905 /nfs/dbraw/zinc/65/39/05/526653905.db2.gz LQKPVUJHPUYNAD-UHFFFAOYSA-N 0 3 272.352 2.154 20 30 CEEDHN C=CCOCC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000354659455 526708350 /nfs/dbraw/zinc/70/83/50/526708350.db2.gz RRQLAHKLIZTLNS-CQSZACIVSA-N 0 3 296.436 2.450 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1C(=O)NCCN1CCCC(C)(C)C1 ZINC000347415380 526826633 /nfs/dbraw/zinc/82/66/33/526826633.db2.gz BDCYDZZHLXJVAY-LSDHHAIUSA-N 0 3 294.439 2.206 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H]1CN(C)C[C@@H]1C ZINC000344370815 526950292 /nfs/dbraw/zinc/95/02/92/526950292.db2.gz NONNSPPEDNKIAI-DZGCQCFKSA-N 0 3 260.381 2.291 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N1CCCN(CCC)CC1 ZINC000366978949 527040077 /nfs/dbraw/zinc/04/00/77/527040077.db2.gz CYBRMHFSRBIYGP-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN C=CCCC1(C(=O)N(C)C2CCN(C)CC2)CC1 ZINC000353357335 527081288 /nfs/dbraw/zinc/08/12/88/527081288.db2.gz UZDQCPSQKSAZLN-UHFFFAOYSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCCCCNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000353349434 527150753 /nfs/dbraw/zinc/15/07/53/527150753.db2.gz RJUPGCKFAYZKOC-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NCC1(N(C)C)CCC1 ZINC000350392638 527151664 /nfs/dbraw/zinc/15/16/64/527151664.db2.gz OIYSNOXLCCHRPX-LBPRGKRZSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000344324737 527157710 /nfs/dbraw/zinc/15/77/10/527157710.db2.gz HGIOHINLZDCUPO-OBJOEFQTSA-N 0 3 265.401 2.123 20 30 CEEDHN CC(C)(C#N)c1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000331536225 527493036 /nfs/dbraw/zinc/49/30/36/527493036.db2.gz QAIOEXBFKASDMY-HNNXBMFYSA-N 0 3 297.402 2.454 20 30 CEEDHN CCN(CC(=O)NC1(C#N)CCCCC1)CC1CC1 ZINC000112210545 527903881 /nfs/dbraw/zinc/90/38/81/527903881.db2.gz PCPCGEGSAXJUTH-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN CC(C)[C@](C)(O)CNCc1ccc(C#N)c(F)c1 ZINC000404246519 527966642 /nfs/dbraw/zinc/96/66/42/527966642.db2.gz GZHJHURYWYBMRU-CQSZACIVSA-N 0 3 250.317 2.194 20 30 CEEDHN CCC(=O)N1CC[C@H](N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000125877381 528379653 /nfs/dbraw/zinc/37/96/53/528379653.db2.gz PQHJUIYNUJLHIS-WFASDCNBSA-N 0 3 271.364 2.220 20 30 CEEDHN CCN(CCC1CC1)CC(=O)NCc1ccc(C#N)cc1 ZINC000355036084 528423195 /nfs/dbraw/zinc/42/31/95/528423195.db2.gz NNOFWJWJYGZYCY-UHFFFAOYSA-N 0 3 285.391 2.296 20 30 CEEDHN CCN(Cc1ccc(OC)cc1OC)C(=O)C(C)C#N ZINC000347080232 528794344 /nfs/dbraw/zinc/79/43/44/528794344.db2.gz WNCIGYFXZVPTBF-LLVKDONJSA-N 0 3 276.336 2.212 20 30 CEEDHN CC[C@H](CC#N)N[C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000354642596 529301379 /nfs/dbraw/zinc/30/13/79/529301379.db2.gz FBPXURVSMCSLIT-WUHRBBMRSA-N 0 3 252.358 2.246 20 30 CEEDHN CC[C@@H](C)N1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000296042477 535566420 /nfs/dbraw/zinc/56/64/20/535566420.db2.gz PYKGSAIRELHSME-CYBMUJFWSA-N 0 3 295.390 2.422 20 30 CEEDHN CC[C@@H](NCc1ccc(C#N)cc1F)[C@@H](O)CC ZINC000313153675 535805789 /nfs/dbraw/zinc/80/57/89/535805789.db2.gz ARRBQKCFECZFCN-KGLIPLIRSA-N 0 3 250.317 2.336 20 30 CEEDHN C#Cc1cccc(NC(=S)NC[C@H]2CCN(C3CC3)C2)c1 ZINC000726464643 574426691 /nfs/dbraw/zinc/42/66/91/574426691.db2.gz FXNOIPHZYKISNU-CQSZACIVSA-N 0 3 299.443 2.439 20 30 CEEDHN Cc1ccccc1[C@@H]1C[C@H](C)N(CC(=O)NCCC#N)C1 ZINC000738312412 574431033 /nfs/dbraw/zinc/43/10/33/574431033.db2.gz MZDTZKQADUZWOK-LSDHHAIUSA-N 0 3 285.391 2.203 20 30 CEEDHN C[C@@H](CO)NN=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000749820429 574447789 /nfs/dbraw/zinc/44/77/89/574447789.db2.gz DEHPKSMEQXROPZ-YUDDUOHHSA-N 0 3 273.380 2.254 20 30 CEEDHN C#CCNC(=O)CN[C@H](C)c1cccc2ccccc21 ZINC000727240037 574449460 /nfs/dbraw/zinc/44/94/60/574449460.db2.gz OGSFCNVLQDMLEG-CYBMUJFWSA-N 0 3 266.344 2.240 20 30 CEEDHN C=C(C)CN1CCC(NC(=S)N[C@H](C)CC)CC1 ZINC000729942608 574496976 /nfs/dbraw/zinc/49/69/76/574496976.db2.gz PFWNXWUTMAJSIF-GFCCVEGCSA-N 0 3 269.458 2.290 20 30 CEEDHN C=CCN(C(=O)NC1CCN(CC=C)CC1)C(C)C ZINC000730125292 574502285 /nfs/dbraw/zinc/50/22/85/574502285.db2.gz RUJGEXJOCNLEHQ-UHFFFAOYSA-N 0 3 265.401 2.243 20 30 CEEDHN C#CCCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000733341969 574665664 /nfs/dbraw/zinc/66/56/64/574665664.db2.gz ATEHQWLDEZFEEF-GOEBONIOSA-N 0 3 285.391 2.144 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](CO)C2CC2)cc1OC ZINC000734164128 574704275 /nfs/dbraw/zinc/70/42/75/574704275.db2.gz KQHIWYNCGDPHIX-AWEZNQCLSA-N 0 3 277.364 2.121 20 30 CEEDHN CN(Cc1cc(Cl)ccc1OCC#N)CC(C)(C)O ZINC000735310712 574752184 /nfs/dbraw/zinc/75/21/84/574752184.db2.gz CDSPIPYNILRMNU-UHFFFAOYSA-N 0 3 282.771 2.445 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000736671760 574794353 /nfs/dbraw/zinc/79/43/53/574794353.db2.gz GKFDCYZOJQXECA-NEPJUHHUSA-N 0 3 295.383 2.052 20 30 CEEDHN C=CCNC(=S)NN=C1CCCC[C@H]1N1CCCCC1 ZINC000748782327 575195469 /nfs/dbraw/zinc/19/54/69/575195469.db2.gz NXAVJJWNHRBNQS-CQSZACIVSA-N 0 3 294.468 2.421 20 30 CEEDHN C=C(C)CNC(=S)N(C)[C@H]1CCN(CC)[C@@H](C)C1 ZINC000740634087 574962402 /nfs/dbraw/zinc/96/24/02/574962402.db2.gz JAKQKXVNHDTRFE-STQMWFEESA-N 0 3 269.458 2.242 20 30 CEEDHN C#CCCN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000740735683 574967142 /nfs/dbraw/zinc/96/71/42/574967142.db2.gz LWWGTNGGMOGXTC-UHFFFAOYSA-N 0 3 262.397 2.171 20 30 CEEDHN C#CCCN1CCC(NC(=O)CCCCC)CC1 ZINC000740738766 574967185 /nfs/dbraw/zinc/96/71/85/574967185.db2.gz LTEUNORPGQXYGN-UHFFFAOYSA-N 0 3 250.386 2.171 20 30 CEEDHN C#CCCN1CCC(NC(=O)[C@H](C)OCCC(C)C)CC1 ZINC000740736197 574967251 /nfs/dbraw/zinc/96/72/51/574967251.db2.gz JAYPRNHUBPIKIZ-HNNXBMFYSA-N 0 3 294.439 2.042 20 30 CEEDHN C[C@H]1CC(N=Nc2cncc(Cl)n2)CCN1C ZINC000741461234 574987842 /nfs/dbraw/zinc/98/78/42/574987842.db2.gz ZDGMBHHNNAOBFB-QMMMGPOBSA-N 0 3 253.737 2.012 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)CC1 ZINC000741640409 574993032 /nfs/dbraw/zinc/99/30/32/574993032.db2.gz BNTROMCCWICZRO-MJGOQNOKSA-N 0 3 296.414 2.178 20 30 CEEDHN CC(C#N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743717922 575109178 /nfs/dbraw/zinc/10/91/78/575109178.db2.gz WIAXSTDDVRTMCY-JTQLQIEISA-N 0 3 258.321 2.047 20 30 CEEDHN Cc1cc(N[C@H](C)c2cccc(C#N)c2)nc(N)n1 ZINC000743459596 575104516 /nfs/dbraw/zinc/10/45/16/575104516.db2.gz GFZAWAWLZDMSAU-SNVBAGLBSA-N 0 3 253.309 2.412 20 30 CEEDHN C[C@@H]1CCCN1CCNC(=O)Nc1ccc(C#N)cc1 ZINC000743813872 575109914 /nfs/dbraw/zinc/10/99/14/575109914.db2.gz XXAOJNVRFCZTMP-GFCCVEGCSA-N 0 3 272.352 2.164 20 30 CEEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CC1)c1cccc(Cl)c1 ZINC000744030579 575112398 /nfs/dbraw/zinc/11/23/98/575112398.db2.gz IBLHJSPWLHIHMB-NOZJJQNGSA-N 0 3 290.750 2.431 20 30 CEEDHN C[C@@H](C#N)OC(=O)C1CCN(c2cccc(Cl)c2)C1=O ZINC000745432376 575138125 /nfs/dbraw/zinc/13/81/25/575138125.db2.gz JOGVFGZWIWDAPZ-JOYOIKCWSA-N 0 3 292.722 2.148 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000746247063 575152827 /nfs/dbraw/zinc/15/28/27/575152827.db2.gz FHEBYJOYPREUKS-KCPJHIHWSA-N 0 3 290.338 2.400 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2ccc(C#N)cc2C)CC1 ZINC000747903844 575176513 /nfs/dbraw/zinc/17/65/13/575176513.db2.gz CQLOVRIGACCAHY-UHFFFAOYSA-N 0 3 295.386 2.084 20 30 CEEDHN C=CCN(C(=O)NC[C@]1(N(C)C)CCSC1)C(C)C ZINC000748648612 575191706 /nfs/dbraw/zinc/19/17/06/575191706.db2.gz YWOKATQIMOMQDP-CQSZACIVSA-N 0 3 285.457 2.030 20 30 CEEDHN CO[C@H](C)CC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000750393127 575261194 /nfs/dbraw/zinc/26/11/94/575261194.db2.gz YILJANWIRDTELK-NXEZZACHSA-N 0 3 294.738 2.412 20 30 CEEDHN C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734284 599377231 /nfs/dbraw/zinc/37/72/31/599377231.db2.gz KXKACYFAHRAXEW-QWRGUYRKSA-N 0 3 257.341 2.482 20 30 CEEDHN C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734284 599377233 /nfs/dbraw/zinc/37/72/33/599377233.db2.gz KXKACYFAHRAXEW-QWRGUYRKSA-N 0 3 257.341 2.482 20 30 CEEDHN C=CCCC[N@@H+](C)Cc1cc(-c2nnn[n-]2)ccc1OC ZINC000823894057 607628109 /nfs/dbraw/zinc/62/81/09/607628109.db2.gz GHFSXYQAYDOVRI-UHFFFAOYSA-N 0 3 287.367 2.273 20 30 CEEDHN C=CCCC[N@H+](C)Cc1cc(-c2nnn[n-]2)ccc1OC ZINC000823894057 607628110 /nfs/dbraw/zinc/62/81/10/607628110.db2.gz GHFSXYQAYDOVRI-UHFFFAOYSA-N 0 3 287.367 2.273 20 30 CEEDHN CCCCCCCNC(=O)N1CCCN(C)CC1 ZINC000875765631 649953647 /nfs/dbraw/zinc/95/36/47/649953647.db2.gz UPHSEUIAJXBTLD-UHFFFAOYSA-N 0 3 255.406 2.304 20 30 CEEDHN C#CCCCC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819693856 606947394 /nfs/dbraw/zinc/94/73/94/606947394.db2.gz XNSJEEZCAVSPLD-GFCCVEGCSA-N 0 3 269.352 2.321 20 30 CEEDHN C#CCCCC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819693856 606947395 /nfs/dbraw/zinc/94/73/95/606947395.db2.gz XNSJEEZCAVSPLD-GFCCVEGCSA-N 0 3 269.352 2.321 20 30 CEEDHN C#CCC[N@@H+](CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819692405 606956732 /nfs/dbraw/zinc/95/67/32/606956732.db2.gz FMCMDAYEPMAPOL-GFCCVEGCSA-N 0 3 269.352 2.273 20 30 CEEDHN C#CCC[N@H+](CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819692405 606956734 /nfs/dbraw/zinc/95/67/34/606956734.db2.gz FMCMDAYEPMAPOL-GFCCVEGCSA-N 0 3 269.352 2.273 20 30 CEEDHN C#CCC[N@@H+](CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819692405 606956737 /nfs/dbraw/zinc/95/67/37/606956737.db2.gz FMCMDAYEPMAPOL-GFCCVEGCSA-N 0 3 269.352 2.273 20 30 CEEDHN C#CCC[N@H+](CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819692405 606956739 /nfs/dbraw/zinc/95/67/39/606956739.db2.gz FMCMDAYEPMAPOL-GFCCVEGCSA-N 0 3 269.352 2.273 20 30 CEEDHN C=CCN[C@@](C)(CO)c1cccc(Br)c1 ZINC000934497413 624541594 /nfs/dbraw/zinc/54/15/94/624541594.db2.gz KXAXOYHKNJQLTP-LBPRGKRZSA-N 0 3 270.170 2.432 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC000969334215 612962328 /nfs/dbraw/zinc/96/23/28/612962328.db2.gz UJPUHMVXKHDKMW-SJORKVTESA-N 0 3 282.387 2.004 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H]2CCCCc3ccccc32)C1 ZINC000970822631 612962571 /nfs/dbraw/zinc/96/25/71/612962571.db2.gz UPJSSOCFKSSWRS-SJLPKXTDSA-N 0 3 296.414 2.320 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2sccc2C(F)F)C1 ZINC000970597680 612968281 /nfs/dbraw/zinc/96/82/81/612968281.db2.gz KHXMQBOYXUDHCG-SECBINFHSA-N 0 3 284.331 2.123 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)Cc2cccc(C)c2)C1 ZINC000968076583 613015171 /nfs/dbraw/zinc/01/51/71/613015171.db2.gz CZMJDDBKMBXFFY-SJLPKXTDSA-N 0 3 298.430 2.387 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967917315 613022055 /nfs/dbraw/zinc/02/20/55/613022055.db2.gz GIPLPTXZSOWJHY-ZFWWWQNUSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)Cc2cccc(C)c2)C1 ZINC000968076586 613022792 /nfs/dbraw/zinc/02/27/92/613022792.db2.gz CZMJDDBKMBXFFY-WMZOPIPTSA-N 0 3 298.430 2.387 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC000967081928 613024324 /nfs/dbraw/zinc/02/43/24/613024324.db2.gz DDAQVXXZYMAAIT-WMLDXEAASA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2ccncc2CC)C(C)(C)C1 ZINC000974754977 613039080 /nfs/dbraw/zinc/03/90/80/613039080.db2.gz HZOQSZMKDXTBDV-INIZCTEOSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2[nH]ccc2C2CC2)CC1 ZINC000948433022 613162524 /nfs/dbraw/zinc/16/25/24/613162524.db2.gz NWGUQSANLBNZJM-OAHLLOKOSA-N 0 3 299.418 2.452 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccoc2Cl)CC1 ZINC000948329216 613163333 /nfs/dbraw/zinc/16/33/33/613163333.db2.gz AQXQTQMYBFJCIY-GFCCVEGCSA-N 0 3 294.782 2.493 20 30 CEEDHN C#Cc1ccc(C(=O)N2CCCN(CCC)CC2)cc1 ZINC000981733572 613168642 /nfs/dbraw/zinc/16/86/42/613168642.db2.gz BENPANUTZMONFQ-UHFFFAOYSA-N 0 3 270.376 2.226 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CC23CCC3)CC1 ZINC000948816363 613178465 /nfs/dbraw/zinc/17/84/65/613178465.db2.gz DXSFOEUGQSBGRH-GJZGRUSLSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)Cc2occc2C)CC1 ZINC000948748096 613178613 /nfs/dbraw/zinc/17/86/13/613178613.db2.gz CWLHXHAMCOYQSE-HNNXBMFYSA-N 0 3 288.391 2.077 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ncc(C)cc2C)CC1 ZINC000948638492 613180247 /nfs/dbraw/zinc/18/02/47/613180247.db2.gz BSMHGLQZXDRRKD-INIZCTEOSA-N 0 3 299.418 2.258 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCN(CC#CC)C[C@H]2C)cc1 ZINC000942552426 613184644 /nfs/dbraw/zinc/18/46/44/613184644.db2.gz FDZAODPWPWYMQM-CRAIPNDOSA-N 0 3 294.398 2.131 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C2(F)CCCCC2)[C@H](C)C1 ZINC000943986157 613222749 /nfs/dbraw/zinc/22/27/49/613222749.db2.gz CXJMAFKURMGLLC-ZIAGYGMSSA-N 0 3 280.387 2.119 20 30 CEEDHN 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30 CEEDHN N#CCC1CCN([C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893487192 628649916 /nfs/dbraw/zinc/64/99/16/628649916.db2.gz KWZPSCGBPPUBBR-UONOGXRCSA-N 0 3 282.359 2.246 20 30 CEEDHN CC[C@@H](C(=O)Nc1cccc(CC#N)n1)N(CC)CC ZINC000893867473 629021481 /nfs/dbraw/zinc/02/14/81/629021481.db2.gz UKLQMPAMJDTVOD-ZDUSSCGKSA-N 0 3 274.368 2.207 20 30 CEEDHN Cc1c(Cl)cnc(N2CC[C@@H]3CN(C)C[C@@H]32)c1C#N ZINC000893938488 629053832 /nfs/dbraw/zinc/05/38/32/629053832.db2.gz DAUFVXHLEVMTJQ-MFKMUULPSA-N 0 3 276.771 2.055 20 30 CEEDHN CN1C[C@H]2CCN(c3nc(C(F)(F)F)ccc3C#N)[C@@H]2C1 ZINC000893941718 629056693 /nfs/dbraw/zinc/05/66/93/629056693.db2.gz VZMZASREXSIPCW-GHMZBOCLSA-N 0 3 296.296 2.112 20 30 CEEDHN C#CCCCCCCN1CCO[C@]2(CCO[C@H]2C)C1 ZINC000877485806 629167578 /nfs/dbraw/zinc/16/75/78/629167578.db2.gz AGOLPQXAPDLXBI-JKSUJKDBSA-N 0 3 265.397 2.450 20 30 CEEDHN CC[C@@H](C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000048540772 629399545 /nfs/dbraw/zinc/39/95/45/629399545.db2.gz IMSSRHDVRVIYHU-YPMHNXCESA-N 0 3 258.321 2.058 20 30 CEEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCC(C)(C)CCC#N ZINC000894856629 629693873 /nfs/dbraw/zinc/69/38/73/629693873.db2.gz JUBNNKCNHHGODW-UONOGXRCSA-N 0 3 292.427 2.194 20 30 CEEDHN C#CCNC(=O)CN1CCC[C@](C)(c2ccccc2)CC1 ZINC000796200669 629802832 /nfs/dbraw/zinc/80/28/32/629802832.db2.gz JBNBZUGYISVRGW-SFHVURJKSA-N 0 3 284.403 2.180 20 30 CEEDHN C=CCN1CCC(NC(=O)CCCOC(C)(C)C)CC1 ZINC000796199549 629804207 /nfs/dbraw/zinc/80/42/07/629804207.db2.gz RFELEVVELPHNPK-UHFFFAOYSA-N 0 3 282.428 2.348 20 30 CEEDHN CC1(C)CCC[C@@H](CN2CCN(C(=O)CC#N)CC2)C1 ZINC000895065970 629841887 /nfs/dbraw/zinc/84/18/87/629841887.db2.gz LNGUQAXRNDNIKW-CQSZACIVSA-N 0 3 277.412 2.261 20 30 CEEDHN Cc1ccncc1CN(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000796508719 629922916 /nfs/dbraw/zinc/92/29/16/629922916.db2.gz JTOATIOSBFBREO-KRWDZBQOSA-N 0 3 281.359 2.427 20 30 CEEDHN CC[C@H](C)[C@H](OC)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000796635268 629952605 /nfs/dbraw/zinc/95/26/05/629952605.db2.gz YIKVOJSMWHWJMJ-LNSITVRQSA-N 0 3 288.347 2.395 20 30 CEEDHN C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@H]1CCCN([O-])C1=O ZINC000895157383 629972237 /nfs/dbraw/zinc/97/22/37/629972237.db2.gz PLWXFFQZADRMFP-WOPDTQHZSA-N 0 3 254.374 2.171 20 30 CEEDHN CC[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCCN([O-])C1=O ZINC000895159060 629975819 /nfs/dbraw/zinc/97/58/19/629975819.db2.gz RJQFJEVHSWGJOK-AGIUHOORSA-N 0 3 254.374 2.173 20 30 CEEDHN C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CCCN([O-])C1=O ZINC000895159313 629976527 /nfs/dbraw/zinc/97/65/27/629976527.db2.gz DWTDYLVPGSCSSS-UTUOFQBUSA-N 0 3 254.374 2.171 20 30 CEEDHN O=C1[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCCN1[O-] ZINC000895159795 629978338 /nfs/dbraw/zinc/97/83/38/629978338.db2.gz IFNBWERXZBFFKS-RBSFLKMASA-N 0 3 274.364 2.293 20 30 CEEDHN C=CCCCC[C@@H](C)N[C@H](C)C1N=NC(=O)N1C ZINC000895171951 629997386 /nfs/dbraw/zinc/99/73/86/629997386.db2.gz NITBJJYCXDGWJJ-GHMZBOCLSA-N 0 3 252.362 2.306 20 30 CEEDHN Cc1c(CC(=O)C(C#N)c2nc3ccccc3o2)cnn1C ZINC000796775923 629999574 /nfs/dbraw/zinc/99/95/74/629999574.db2.gz RMDRKBXVLWTIRY-LBPRGKRZSA-N 0 3 294.314 2.289 20 30 CEEDHN C#CC1(O)CCN(Cc2c[nH]nc2-c2cccc(C)c2)CC1 ZINC000895382812 630153481 /nfs/dbraw/zinc/15/34/81/630153481.db2.gz MVACRTHXPQQJQY-UHFFFAOYSA-N 0 3 295.386 2.345 20 30 CEEDHN C#CC1(O)CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000895383309 630154349 /nfs/dbraw/zinc/15/43/49/630154349.db2.gz RXRPORSDLNKYNA-UHFFFAOYSA-N 0 3 298.386 2.329 20 30 CEEDHN C#CC1(O)CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000895385607 630158020 /nfs/dbraw/zinc/15/80/20/630158020.db2.gz FVQHUCWMKFGFGO-WAYWQWQTSA-N 0 3 284.403 2.226 20 30 CEEDHN C#CC[C@H]1CCN(Cc2ccc(OCCOC)o2)C1 ZINC000895562271 630250334 /nfs/dbraw/zinc/25/03/34/630250334.db2.gz CFFZEUJDNJYODF-ZDUSSCGKSA-N 0 3 263.337 2.150 20 30 CEEDHN C#CCC1(O)CCN(Cc2cc3cccnc3o2)CC1 ZINC000895670311 630299993 /nfs/dbraw/zinc/29/99/93/630299993.db2.gz PBXOPYZSRJPUPS-UHFFFAOYSA-N 0 3 270.332 2.178 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cc(C(=O)OC)c(CC)o1 ZINC000895713964 630311881 /nfs/dbraw/zinc/31/18/81/630311881.db2.gz XJIFKIDXGPOLRS-NSHDSACASA-N 0 3 281.352 2.045 20 30 CEEDHN C[C@@H]1[C@@H](Nc2cc(C(F)(F)F)cnc2C#N)CCN1C ZINC000895735703 630325291 /nfs/dbraw/zinc/32/52/91/630325291.db2.gz DZMASSRMUURVFF-SCZZXKLOSA-N 0 3 284.285 2.477 20 30 CEEDHN N#Cc1ccc2c(c1)C[C@H](NCc1nccn1C1CC1)C2 ZINC000895861221 630372503 /nfs/dbraw/zinc/37/25/03/630372503.db2.gz NLEFCRPXBZZSGV-OAHLLOKOSA-N 0 3 278.359 2.347 20 30 CEEDHN CN(CCN1CCCC1)C(=O)c1[nH]c2ccccc2c1C#N ZINC000896154372 630480930 /nfs/dbraw/zinc/48/09/30/630480930.db2.gz BKRDWEHBDNVRPX-UHFFFAOYSA-N 0 3 296.374 2.207 20 30 CEEDHN N#Cc1ccc([C@H]2CN(c3ccnc(CO)c3)CCO2)cc1 ZINC000896872199 630696993 /nfs/dbraw/zinc/69/69/93/630696993.db2.gz CDTXEZAWLVRVSK-QGZVFWFLSA-N 0 3 295.342 2.023 20 30 CEEDHN C#CCN(Cc1ccc(O[C@H](C)C(=O)OC)cc1)C(C)C ZINC000897170826 630973622 /nfs/dbraw/zinc/97/36/22/630973622.db2.gz IUQXHBGHWRNJEV-CQSZACIVSA-N 0 3 289.375 2.471 20 30 CEEDHN Cn1nc(CNC2CCC(C#N)CC2)cc1C1CC1 ZINC000897231569 631004660 /nfs/dbraw/zinc/00/46/60/631004660.db2.gz ZIEXNMSVHKGSQB-UHFFFAOYSA-N 0 3 258.369 2.469 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CCO)Cc2ccccc2)o1 ZINC000799350977 631018264 /nfs/dbraw/zinc/01/82/64/631018264.db2.gz ZHPGSXFROMJAAU-AWEZNQCLSA-N 0 3 270.332 2.235 20 30 CEEDHN Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1C#N ZINC000799680201 631061392 /nfs/dbraw/zinc/06/13/92/631061392.db2.gz JTYCZIIBEAPOON-WFASDCNBSA-N 0 3 283.375 2.222 20 30 CEEDHN C#C[C@H](NC[C@H]1CCC2(CCCC2)O1)[C@@H]1CCCO1 ZINC000801544233 631287203 /nfs/dbraw/zinc/28/72/03/631287203.db2.gz DOYRPOMBIWNSHN-ILXRZTDVSA-N 0 3 263.381 2.249 20 30 CEEDHN CCOc1ccc(CN(C)CCO[C@@H](C)C#N)cc1 ZINC000801911112 631346398 /nfs/dbraw/zinc/34/63/98/631346398.db2.gz FSROICZVLHKANT-ZDUSSCGKSA-N 0 3 262.353 2.446 20 30 CEEDHN C[C@H](C#N)OCCN1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000801927386 631358250 /nfs/dbraw/zinc/35/82/50/631358250.db2.gz OUCCBXLXLFLCQB-MCIONIFRSA-N 0 3 278.352 2.096 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC[C@H]1c1ccc(O)cc1 ZINC000801930510 631359700 /nfs/dbraw/zinc/35/97/00/631359700.db2.gz QTZBJNRYYGGCMZ-WFASDCNBSA-N 0 3 260.337 2.458 20 30 CEEDHN Cc1ccc(C2CCN(CCO[C@H](C)C#N)CC2)cn1 ZINC000801938617 631364315 /nfs/dbraw/zinc/36/43/15/631364315.db2.gz JGOUYMRCPUEGIK-CQSZACIVSA-N 0 3 273.380 2.498 20 30 CEEDHN C#CCNC(=S)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000802721380 631446799 /nfs/dbraw/zinc/44/67/99/631446799.db2.gz SYMSMUPVUSGJJD-ZDUSSCGKSA-N 0 3 295.839 2.040 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)C2=CCCCCC2)C1 ZINC000988701193 631661656 /nfs/dbraw/zinc/66/16/56/631661656.db2.gz SOSIFPXOVVYGER-UKRRQHHQSA-N 0 3 260.381 2.089 20 30 CEEDHN C=CCN1CCN(CN2CCC[C@H](C(C)C)C2)C1=O ZINC000840048127 631687726 /nfs/dbraw/zinc/68/77/26/631687726.db2.gz BIVMPJRTRBMYJJ-AWEZNQCLSA-N 0 3 265.401 2.236 20 30 CEEDHN C[C@H]1C[C@H](NCc2ccsc2)CN1C(=O)C#CC1CC1 ZINC000988812661 631699190 /nfs/dbraw/zinc/69/91/90/631699190.db2.gz NKHKLBGWNGXXGI-WFASDCNBSA-N 0 3 288.416 2.241 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2cccc(CC)c2)C1 ZINC000989058759 631721159 /nfs/dbraw/zinc/72/11/59/631721159.db2.gz WYCAYCUDXVXDNK-WMLDXEAASA-N 0 3 284.403 2.004 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000897576680 631793085 /nfs/dbraw/zinc/79/30/85/631793085.db2.gz MAOFEDYBHDBJNX-QGZVFWFLSA-N 0 3 282.387 2.415 20 30 CEEDHN N#C[C@H]1CC[C@@H](N[C@H]2c3ccccc3OC[C@H]2CO)C1 ZINC000897948206 631987520 /nfs/dbraw/zinc/98/75/20/631987520.db2.gz ZQPSQCQWTNYIFB-VPWBDBDCSA-N 0 3 272.348 2.010 20 30 CEEDHN CC1(C)CCC[C@H](CNCc2cccc(C#N)n2)O1 ZINC000898047427 632011254 /nfs/dbraw/zinc/01/12/54/632011254.db2.gz ZSLVARLNLKYSNF-CQSZACIVSA-N 0 3 259.353 2.391 20 30 CEEDHN CC1(C)CCC[C@@H](CNCc2cccc(C#N)n2)O1 ZINC000898047426 632011722 /nfs/dbraw/zinc/01/17/22/632011722.db2.gz ZSLVARLNLKYSNF-AWEZNQCLSA-N 0 3 259.353 2.391 20 30 CEEDHN C#C[C@@H](CC)NCc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000809686373 632126748 /nfs/dbraw/zinc/12/67/48/632126748.db2.gz OTGSGYNWJJPIEV-HNNXBMFYSA-N 0 3 289.375 2.357 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)C2CCC(F)(F)CC2)C1 ZINC000989484578 632185306 /nfs/dbraw/zinc/18/53/06/632185306.db2.gz FOQFYHBBYMEYBU-YPMHNXCESA-N 0 3 284.350 2.024 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2ncccc2Cl)CC1 ZINC000989522504 632198497 /nfs/dbraw/zinc/19/84/97/632198497.db2.gz WNFPYBLDUINDJL-UHFFFAOYSA-N 0 3 293.798 2.459 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc3cccnc3c2)C1 ZINC000989573484 632205382 /nfs/dbraw/zinc/20/53/82/632205382.db2.gz TXKFPWQUKUCGDV-CZUORRHYSA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc3ccncc32)C1 ZINC000989633029 632214356 /nfs/dbraw/zinc/21/43/56/632214356.db2.gz UEIDAXQTTGLILG-DZGCQCFKSA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC000989831120 632248410 /nfs/dbraw/zinc/24/84/10/632248410.db2.gz HOUBRXFVYRWOIQ-KBPBESRZSA-N 0 3 295.386 2.302 20 30 CEEDHN CC(=O)N[C@]12CCC[C@@H]1N(Cc1cccc(C#N)c1)CC2 ZINC000989871349 632262194 /nfs/dbraw/zinc/26/21/94/632262194.db2.gz SRSPNHIASRKLDZ-IRXDYDNUSA-N 0 3 283.375 2.191 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cnc(C(C)C)s2)C1 ZINC000989873968 632264098 /nfs/dbraw/zinc/26/40/98/632264098.db2.gz PVLZDMZZCFSKST-RYUDHWBXSA-N 0 3 291.420 2.092 20 30 CEEDHN C[C@H](C#N)CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000810722026 632266621 /nfs/dbraw/zinc/26/66/21/632266621.db2.gz LRNUHYGFEFQFDH-WBMJQRKESA-N 0 3 295.402 2.350 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ncccc3C)CCC[C@H]12 ZINC000990166211 632323013 /nfs/dbraw/zinc/32/30/13/632323013.db2.gz ZKYOOLMQHYSATR-YOEHRIQHSA-N 0 3 285.391 2.303 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)[C@H]3C[C@@H]3C(F)F)CCC[C@H]12 ZINC000990437562 632355562 /nfs/dbraw/zinc/35/55/62/632355562.db2.gz NYLWTURALCNMFY-ASHKBJFXSA-N 0 3 284.350 2.187 20 30 CEEDHN CC[C@@H](O)CNN=C1CCCC[C@H]1N1CCCCC1 ZINC000811656151 632416147 /nfs/dbraw/zinc/41/61/47/632416147.db2.gz GBJUXCWZEJHOGW-UKRRQHHQSA-N 0 3 267.417 2.131 20 30 CEEDHN C=CC(C)(C)NCc1cc(C(=O)OC(C)(C)C)nn1C ZINC000898460838 632504775 /nfs/dbraw/zinc/50/47/75/632504775.db2.gz UKROBVLYJHYKDY-UHFFFAOYSA-N 0 3 279.384 2.430 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000812350386 632517162 /nfs/dbraw/zinc/51/71/62/632517162.db2.gz NSHFKXDVAINSBR-AGIUHOORSA-N 0 3 277.368 2.030 20 30 CEEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CC12CC2 ZINC000817730438 633730646 /nfs/dbraw/zinc/73/06/46/633730646.db2.gz PDVFMOYUWLFNDL-ZIAGYGMSSA-N 0 3 282.343 2.154 20 30 CEEDHN C#CCCCCCCn1cc([C@@H](N)C2CCOCC2)nn1 ZINC000900640862 633791080 /nfs/dbraw/zinc/79/10/80/633791080.db2.gz FAYWRHZOEHVVFA-INIZCTEOSA-N 0 3 290.411 2.288 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C(/C)c1cccc(F)c1 ZINC000818593088 633954114 /nfs/dbraw/zinc/95/41/14/633954114.db2.gz LRIOHMAECBQUAT-OWBHPGMISA-N 0 3 288.366 2.300 20 30 CEEDHN CC(=NN1CCC(C(C)(C)C)CC1)c1c[nH]c(N)n1 ZINC000901236012 633999610 /nfs/dbraw/zinc/99/96/10/633999610.db2.gz XWUMTVSLYJSEES-UHFFFAOYSA-N 0 3 263.389 2.474 20 30 CEEDHN Nc1ccc2c(c1)C(=NN[C@@H]1CCCC[C@H]1O)CCC2 ZINC000901333728 634050439 /nfs/dbraw/zinc/05/04/39/634050439.db2.gz ATCBWQDLHKWNBD-HZPDHXFCSA-N 0 3 273.380 2.202 20 30 CEEDHN N#CCC[C@@H](C#N)CNC[C@H]1CCCN1CC(F)(F)F ZINC000901572383 634195357 /nfs/dbraw/zinc/19/53/57/634195357.db2.gz KNDKDCMKORIOHL-NWDGAFQWSA-N 0 3 288.317 2.046 20 30 CEEDHN C[C@H](NCC1(O)Cc2ccccc2C1)c1cc(C#N)ccn1 ZINC000902812219 634847414 /nfs/dbraw/zinc/84/74/14/634847414.db2.gz PNLVVXRWRMAFKL-ZDUSSCGKSA-N 0 3 293.370 2.134 20 30 CEEDHN CC[C@@H](N[C@@H](CC)C(=O)NC)c1cccc(C#N)c1 ZINC000903014914 634925448 /nfs/dbraw/zinc/92/54/48/634925448.db2.gz BEWGEDDYLACABP-KGLIPLIRSA-N 0 3 259.353 2.124 20 30 CEEDHN CC[C@@H](N[C@@H]1COC[C@H]1OC)c1cccc(C#N)c1 ZINC000903037262 634941520 /nfs/dbraw/zinc/94/15/20/634941520.db2.gz GZPBOUBMKXHUBP-RBSFLKMASA-N 0 3 260.337 2.013 20 30 CEEDHN CC[C@H](C)C[C@H](CO)N[C@H](C)c1cc(C#N)ccn1 ZINC000903037459 634941819 /nfs/dbraw/zinc/94/18/19/634941819.db2.gz KSXVVCXVMAVGPQ-OUCADQQQSA-N 0 3 261.369 2.401 20 30 CEEDHN C[C@H](N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1cc(C#N)ccn1 ZINC000903069905 634966311 /nfs/dbraw/zinc/96/63/11/634966311.db2.gz LTGIOGOBMZHVJF-HJHSNUOESA-N 0 3 259.353 2.416 20 30 CEEDHN C[C@H](N[C@H]1COC[C@H]1C1CC1)c1cc(C#N)ccn1 ZINC000903439274 635118730 /nfs/dbraw/zinc/11/87/30/635118730.db2.gz CTSDDPACEYUFRD-XEGUGMAKSA-N 0 3 257.337 2.029 20 30 CEEDHN CC(C)C#CC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000824373521 635415475 /nfs/dbraw/zinc/41/54/75/635415475.db2.gz CPTIHQFFAROXHF-UHFFFAOYSA-N 0 3 290.382 2.375 20 30 CEEDHN CN1CC[C@@H]1CN=Cc1cc2ccccc2[nH]c1=O ZINC000905001570 635773282 /nfs/dbraw/zinc/77/32/82/635773282.db2.gz BETRLRRYVYKNMU-WPBJZHHJSA-N 0 3 255.321 2.063 20 30 CEEDHN CC1/C(=C\c2ccc3c(c2)CCN3C)C(=O)c2ncnn21 ZINC000905086042 635800714 /nfs/dbraw/zinc/80/07/14/635800714.db2.gz QRSYYRZMOKIIQR-XNFYSYIQSA-N 0 3 280.331 2.111 20 30 CEEDHN C=CCC1(NCc2ccoc2C(=O)OC)CCOCC1 ZINC000827148089 636236885 /nfs/dbraw/zinc/23/68/85/636236885.db2.gz ZVJOQJFDXYIAEO-UHFFFAOYSA-N 0 3 279.336 2.281 20 30 CEEDHN C#Cc1cnc(NC[C@H](C)N2CCc3ccccc3C2)nc1 ZINC000827372502 636307772 /nfs/dbraw/zinc/30/77/72/636307772.db2.gz AQFYDGGSAQGTKR-AWEZNQCLSA-N 0 3 292.386 2.317 20 30 CEEDHN CCCCCCC[C@@H](C)CNC(=O)C[C@@H]1CNCCO1 ZINC000827498570 636336628 /nfs/dbraw/zinc/33/66/28/636336628.db2.gz PUFKBRLZEWGXLC-HUUCEWRRSA-N 0 3 284.444 2.478 20 30 CEEDHN C#C[C@H](NCc1ccc([N+](=O)[O-])cc1C)C1CCOCC1 ZINC000827564653 636353955 /nfs/dbraw/zinc/35/39/55/636353955.db2.gz FDBBCZFDVKGYHO-INIZCTEOSA-N 0 3 288.347 2.421 20 30 CEEDHN C#C[C@@H](NCc1ccc(OC)c(OC)c1)C1CCOCC1 ZINC000827574531 636358579 /nfs/dbraw/zinc/35/85/79/636358579.db2.gz BCDGOYWNNOJCLH-OAHLLOKOSA-N 0 3 289.375 2.222 20 30 CEEDHN C#CCCN(CCOC)Cc1ccc(N(C)C)c(F)c1 ZINC000827822991 636434316 /nfs/dbraw/zinc/43/43/16/636434316.db2.gz IYQVWVATVCXMIW-UHFFFAOYSA-N 0 3 278.371 2.363 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)COCC1CCCCC1 ZINC000905858405 636492769 /nfs/dbraw/zinc/49/27/69/636492769.db2.gz JQXMSGGUSKOGIC-UONOGXRCSA-N 0 3 282.428 2.252 20 30 CEEDHN N#Cc1cc([O-])ccc1-c1cnc([C@H]2CCC[NH2+]C2)nc1 ZINC000906177573 636637790 /nfs/dbraw/zinc/63/77/90/636637790.db2.gz FZZDVBTZWIPRAB-NSHDSACASA-N 0 3 280.331 2.188 20 30 CEEDHN N#Cc1cc([O-])ccc1-c1cnc([C@@H]2CCC[NH2+]2)nc1 ZINC000906178066 636638806 /nfs/dbraw/zinc/63/88/06/636638806.db2.gz JAFZFEBIZBUSGI-AWEZNQCLSA-N 0 3 266.304 2.145 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)N2CCCCCC2)C1 ZINC000829768497 636925849 /nfs/dbraw/zinc/92/58/49/636925849.db2.gz DWADZCWMIOKDRJ-OAHLLOKOSA-N 0 3 262.397 2.124 20 30 CEEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)NCCCCC)C1 ZINC000829773695 636926577 /nfs/dbraw/zinc/92/65/77/636926577.db2.gz IHYXJDONGNYGQO-CABCVRRESA-N 0 3 264.413 2.417 20 30 CEEDHN C#CC1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000830345887 637043130 /nfs/dbraw/zinc/04/31/30/637043130.db2.gz XVIXXOPUHOTSJR-INIZCTEOSA-N 0 3 268.360 2.285 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccsc1C#N ZINC000907849933 637140270 /nfs/dbraw/zinc/14/02/70/637140270.db2.gz CENFUTMFXKIJIL-CYBMUJFWSA-N 0 3 291.420 2.470 20 30 CEEDHN C=C1CCC(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000830997901 637213733 /nfs/dbraw/zinc/21/37/33/637213733.db2.gz FVIFSGUIVYFEDJ-AWEZNQCLSA-N 0 3 252.402 2.435 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1cccs1 ZINC000876554241 650322685 /nfs/dbraw/zinc/32/26/85/650322685.db2.gz HBBHECRLLPDWPT-SNVBAGLBSA-N 0 3 258.774 2.176 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(C)cc1 ZINC000876554603 650323638 /nfs/dbraw/zinc/32/36/38/650323638.db2.gz PJELODRHKCIOHR-CYBMUJFWSA-N 0 3 266.772 2.423 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccccc1F ZINC000876554829 650323727 /nfs/dbraw/zinc/32/37/27/650323727.db2.gz UWTQQKZPXWQZLX-LBPRGKRZSA-N 0 3 270.735 2.254 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000876588754 650348114 /nfs/dbraw/zinc/34/81/14/650348114.db2.gz PATBLJKQNQHGMJ-SKDRFNHKSA-N 0 3 297.742 2.242 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1c(F)cccc1F ZINC000876595044 650351872 /nfs/dbraw/zinc/35/18/72/650351872.db2.gz YYCVLRCKZYPPHA-LBPRGKRZSA-N 0 3 288.725 2.093 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1cc(C)on1 ZINC000876597842 650353061 /nfs/dbraw/zinc/35/30/61/650353061.db2.gz VEFPYEWIYYXZEV-PWSUYJOCSA-N 0 3 283.759 2.116 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(NC(=O)CC)cc1 ZINC000876604491 650355438 /nfs/dbraw/zinc/35/54/38/650355438.db2.gz KOQNZBGDRUBVKU-GFCCVEGCSA-N 0 3 295.770 2.444 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCOc1cc(C)cc(C)c1 ZINC000876615780 650360723 /nfs/dbraw/zinc/36/07/23/650360723.db2.gz DJAAKCDDJIRCNX-AWEZNQCLSA-N 0 3 296.798 2.268 20 30 CEEDHN CCCCCCCC(=O)NC[C@H]1CCCCN1CCO ZINC000833566000 637736179 /nfs/dbraw/zinc/73/61/79/637736179.db2.gz OSNHORICSBJOQQ-OAHLLOKOSA-N 0 3 284.444 2.310 20 30 CEEDHN CCCCCCCC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000833565295 637736740 /nfs/dbraw/zinc/73/67/40/637736740.db2.gz BSPUVZIBJNWJFD-OAHLLOKOSA-N 0 3 284.444 2.310 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1COc2c1ccc(C)c2C ZINC000876647327 650373726 /nfs/dbraw/zinc/37/37/26/650373726.db2.gz JGBBSIKYEAIHAA-OLZOCXBDSA-N 0 3 294.782 2.323 20 30 CEEDHN CCN1CCCN(C(=O)c2cc(C#N)ccc2F)[C@H](C)C1 ZINC000910270136 637966304 /nfs/dbraw/zinc/96/63/04/637966304.db2.gz KOUZHFKXHWFLOY-GFCCVEGCSA-N 0 3 289.354 2.254 20 30 CEEDHN CCN1CCCN(C(=O)C2(C#N)CC3(CC3)C2)[C@@H](C)C1 ZINC000910271412 637967325 /nfs/dbraw/zinc/96/73/25/637967325.db2.gz WGDAXMGLEXWVCF-ZDUSSCGKSA-N 0 3 275.396 2.013 20 30 CEEDHN CC[C@@H](CC(F)(F)F)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000835058825 638043391 /nfs/dbraw/zinc/04/33/91/638043391.db2.gz UODUMPOFKJUYQW-UWVGGRQHSA-N 0 3 290.285 2.296 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccc(C)cc1 ZINC000876667396 650387112 /nfs/dbraw/zinc/38/71/12/650387112.db2.gz DDDQDLJLCAOZTN-ZDUSSCGKSA-N 0 3 266.772 2.124 20 30 CEEDHN Cc1cc(F)c(CC(=O)C(C#N)C(=O)NC(C)C)cc1F ZINC000835064558 638046468 /nfs/dbraw/zinc/04/64/68/638046468.db2.gz IWKURYURGXCQDL-NSHDSACASA-N 0 3 294.301 2.049 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1sc(C)nc1C ZINC000876692345 650402759 /nfs/dbraw/zinc/40/27/59/650402759.db2.gz QTZMAMFYPANVQW-MRVPVSSYSA-N 0 3 259.762 2.168 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000876728853 650411791 /nfs/dbraw/zinc/41/17/91/650411791.db2.gz XYOOKYSLOKNVHD-GFCCVEGCSA-N 0 3 281.787 2.469 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000911931328 638489287 /nfs/dbraw/zinc/48/92/87/638489287.db2.gz URWGBJLAQYOJGL-GFCCVEGCSA-N 0 3 278.352 2.326 20 30 CEEDHN CCCCCCCC[C@@H](N)C(=O)N1CCO[C@H](C)C1 ZINC000912169595 638596123 /nfs/dbraw/zinc/59/61/23/638596123.db2.gz YHNUBTBXFWUBGD-ZIAGYGMSSA-N 0 3 270.417 2.312 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CCc2sccc2C1 ZINC000912185410 638601439 /nfs/dbraw/zinc/60/14/39/638601439.db2.gz HGCFTHGRFPCEIE-LBPRGKRZSA-N 0 3 264.394 2.316 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000836489345 638648971 /nfs/dbraw/zinc/64/89/71/638648971.db2.gz YLKYSGLRFPGYER-CABCVRRESA-N 0 3 279.428 2.162 20 30 CEEDHN CN1CCN(c2ccnc(C#N)c2)C[C@@H]1C(C)(C)C ZINC000912321685 638650636 /nfs/dbraw/zinc/65/06/36/638650636.db2.gz OEQKSQNUQWYAGU-CQSZACIVSA-N 0 3 258.369 2.120 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccccc1COC ZINC000912351293 638656241 /nfs/dbraw/zinc/65/62/41/638656241.db2.gz OKPCXAMMSBGTEG-OAHLLOKOSA-N 0 3 276.380 2.133 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccsc1C#N ZINC000912523775 638710220 /nfs/dbraw/zinc/71/02/20/638710220.db2.gz PUHZXXXOPYUKFY-GFCCVEGCSA-N 0 3 291.420 2.470 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C)ccc1O ZINC000876827937 650448935 /nfs/dbraw/zinc/44/89/35/650448935.db2.gz IMLUGQLMAGHOOK-SECBINFHSA-N 0 3 254.717 2.109 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3[nH]c(C)cc3C)CCC[C@H]12 ZINC000991412667 639041921 /nfs/dbraw/zinc/04/19/21/639041921.db2.gz DMGPXDYXMODBOH-MAUKXSAKSA-N 0 3 299.418 2.382 20 30 CEEDHN C=C(CC)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000837100038 639048906 /nfs/dbraw/zinc/04/89/06/639048906.db2.gz CDROVXIHUCYLMY-AWEZNQCLSA-N 0 3 256.365 2.281 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000876880023 650470347 /nfs/dbraw/zinc/47/03/47/650470347.db2.gz YGZRJSUTBYJXFL-JOYOIKCWSA-N 0 3 298.770 2.048 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)c1ncc(C)s1 ZINC000876896985 650477186 /nfs/dbraw/zinc/47/71/86/650477186.db2.gz OOJCRWVTTZSHIJ-GMSGAONNSA-N 0 3 287.816 2.141 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000876898649 650477938 /nfs/dbraw/zinc/47/79/38/650477938.db2.gz ORSXCTWDNYZNFX-CYBMUJFWSA-N 0 3 296.802 2.084 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000876900800 650478891 /nfs/dbraw/zinc/47/88/91/650478891.db2.gz RFBVDRAJYHKFBX-VXGBXAGGSA-N 0 3 296.802 2.160 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)c1c(C)noc1C ZINC000876902105 650479854 /nfs/dbraw/zinc/47/98/54/650479854.db2.gz MFVMTICQMRCGOW-QWRGUYRKSA-N 0 3 285.775 2.329 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(CCC)C[C@@H]1CCCCO1 ZINC000876649222 639326095 /nfs/dbraw/zinc/32/60/95/639326095.db2.gz PBJFPEMZZDVBQQ-STQMWFEESA-N 0 3 288.819 2.264 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1C[C@H]1c1ccc(C)cc1 ZINC000876936785 650494625 /nfs/dbraw/zinc/49/46/25/650494625.db2.gz NOHPYJFVBAZFOF-BFHYXJOUSA-N 0 3 278.783 2.437 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1cc2ccccc2[nH]1 ZINC000876941206 650497212 /nfs/dbraw/zinc/49/72/12/650497212.db2.gz BDACTDGEBKWWIR-CYBMUJFWSA-N 0 3 291.782 2.297 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1CCC(F)CC1 ZINC000876940043 650497236 /nfs/dbraw/zinc/49/72/36/650497236.db2.gz OVHXDFSURFTMNY-ILDUYXDCSA-N 0 3 262.756 2.101 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000876937602 650495566 /nfs/dbraw/zinc/49/55/66/650495566.db2.gz ZKAZUTZEXZDYIO-SRVKXCTJSA-N 0 3 256.777 2.247 20 30 CEEDHN CCN1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000157419854 639486578 /nfs/dbraw/zinc/48/65/78/639486578.db2.gz MTKGZWGYQDTERM-CQSZACIVSA-N 0 3 273.380 2.115 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1C(F)F ZINC000877069818 639515674 /nfs/dbraw/zinc/51/56/74/639515674.db2.gz GKHKPNLLYROQJF-IUCAKERBSA-N 0 3 266.719 2.103 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1C(F)F ZINC000877069819 639515866 /nfs/dbraw/zinc/51/58/66/639515866.db2.gz GKHKPNLLYROQJF-RKDXNWHRSA-N 0 3 266.719 2.103 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(C)c1OC ZINC000876952355 650502666 /nfs/dbraw/zinc/50/26/66/650502666.db2.gz NKJNTZQYYATJIQ-GFCCVEGCSA-N 0 3 282.771 2.090 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](CCF)C1 ZINC000876968430 650512021 /nfs/dbraw/zinc/51/20/21/650512021.db2.gz IGBMKNPSQXGZND-QWRGUYRKSA-N 0 3 262.756 2.055 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@H]1CC1(Cl)Cl ZINC000876984038 650518835 /nfs/dbraw/zinc/51/88/35/650518835.db2.gz CXCNIKKSHARRAO-YUMQZZPRSA-N 0 3 285.602 2.156 20 30 CEEDHN Cc1cc(N(C)C)ccc1C=NNC1CCOCC1 ZINC000841628725 639800789 /nfs/dbraw/zinc/80/07/89/639800789.db2.gz BFMSVLVSKOKJLM-UHFFFAOYSA-N 0 3 261.369 2.164 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc2c1OCC2 ZINC000877005646 650528219 /nfs/dbraw/zinc/52/82/19/650528219.db2.gz KJPYHZMPQNNERS-JTQLQIEISA-N 0 3 266.728 2.030 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccn(C)c3C)CCC[C@@H]12 ZINC000992159619 639976905 /nfs/dbraw/zinc/97/69/05/639976905.db2.gz JMMMDSKNOWZCKS-NVXWUHKLSA-N 0 3 287.407 2.246 20 30 CEEDHN CN(CCc1ccc(Cl)cc1)C[C@H](O)CC#N ZINC000929641716 640007011 /nfs/dbraw/zinc/00/70/11/640007011.db2.gz RBCHDMGXPNIVMY-CYBMUJFWSA-N 0 3 252.745 2.089 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C2(F)CC2)c1 ZINC000842686819 640149929 /nfs/dbraw/zinc/14/99/29/640149929.db2.gz RLLWUUFANOCGEX-LLVKDONJSA-N 0 3 260.268 2.145 20 30 CEEDHN CCc1cccc(CC(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000152370129 640215825 /nfs/dbraw/zinc/21/58/25/640215825.db2.gz UJPJLQOHKGLUDB-AWEZNQCLSA-N 0 3 272.348 2.025 20 30 CEEDHN CCC(=O)N[C@@H](C)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842940114 640225650 /nfs/dbraw/zinc/22/56/50/640225650.db2.gz XKFUEONDZIXUDZ-WPRPVWTQSA-N 0 3 291.376 2.111 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)C2CCC2)[C@H]1C ZINC000992939831 640376590 /nfs/dbraw/zinc/37/65/90/640376590.db2.gz FPRKJOIWOKGLQI-OCCSQVGLSA-N 0 3 250.386 2.332 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2CC2)[C@H]1C ZINC000992974879 640388834 /nfs/dbraw/zinc/38/88/34/640388834.db2.gz XKYWTIIAHVJGQA-OCCSQVGLSA-N 0 3 250.386 2.332 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccoc2C)[C@@H]1C ZINC000993030313 640407973 /nfs/dbraw/zinc/40/79/73/640407973.db2.gz FHVDHYCWEUCVHI-SWLSCSKDSA-N 0 3 274.364 2.194 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccoc2C)[C@H]1C ZINC000993030310 640408087 /nfs/dbraw/zinc/40/80/87/640408087.db2.gz FHVDHYCWEUCVHI-IUODEOHRSA-N 0 3 274.364 2.194 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(F)nc2)[C@@H]1C ZINC000993145212 640480101 /nfs/dbraw/zinc/48/01/01/640480101.db2.gz UTHNDUJAHIKMAP-GXTWGEPZSA-N 0 3 291.370 2.380 20 30 CEEDHN C#CC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000843698920 640502202 /nfs/dbraw/zinc/50/22/02/640502202.db2.gz FQOICSPCZQAELQ-MRXNPFEDSA-N 0 3 280.387 2.071 20 30 CEEDHN C#C[C@@H](NC(=O)[C@H]1CCCN1CCC)c1ccccc1 ZINC000843966319 640566581 /nfs/dbraw/zinc/56/65/81/640566581.db2.gz BCDAKLHDMHETQN-HZPDHXFCSA-N 0 3 270.376 2.352 20 30 CEEDHN C#CCCCCC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000843986586 640569343 /nfs/dbraw/zinc/56/93/43/640569343.db2.gz BMYWLTGFRVIAFQ-CQSZACIVSA-N 0 3 250.386 2.123 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(C)CC2)[C@@H]1C ZINC000993350427 640621532 /nfs/dbraw/zinc/62/15/32/640621532.db2.gz SHCSTQUSXOUTPV-STQMWFEESA-N 0 3 250.386 2.332 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cncs2)[C@H]1C ZINC000993456845 640649207 /nfs/dbraw/zinc/64/92/07/640649207.db2.gz PTMBGXGMSHBKNM-OCCSQVGLSA-N 0 3 293.436 2.231 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C2(C3CC3)CC2)[C@@H]1C ZINC000993487665 640651513 /nfs/dbraw/zinc/65/15/13/640651513.db2.gz MGTYESQCHHIRJL-ZFWWWQNUSA-N 0 3 274.408 2.169 20 30 CEEDHN CN(CCOC1CCC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844369849 640693471 /nfs/dbraw/zinc/69/34/71/640693471.db2.gz DLZFUHWLXGZOLW-INIZCTEOSA-N 0 3 274.364 2.093 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(C)CC(F)(F)C2)[C@@H]1C ZINC000994209985 640698853 /nfs/dbraw/zinc/69/88/53/640698853.db2.gz 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ZINC001016782571 643807318 /nfs/dbraw/zinc/80/73/18/643807318.db2.gz YTWLOBCWWWVWSL-KGLIPLIRSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000838502097 643960891 /nfs/dbraw/zinc/96/08/91/643960891.db2.gz AQYLFYSNXNWIDB-FICVDOATSA-N 0 3 279.428 2.065 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)CCCCC(C)C ZINC000838789265 644023189 /nfs/dbraw/zinc/02/31/89/644023189.db2.gz YWKJEMSNMYWQIH-GFCCVEGCSA-N 0 3 250.342 2.214 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)C1CC(C(C)(C)C)C1 ZINC000838789092 644023277 /nfs/dbraw/zinc/02/32/77/644023277.db2.gz XYWWBGBUEBNNIW-MCIGGMRASA-N 0 3 262.353 2.070 20 30 CEEDHN CC(C)(C)OC(=O)NCC1(CNCC(C)(C)C#N)CC1 ZINC000839012767 644125637 /nfs/dbraw/zinc/12/56/37/644125637.db2.gz YPTHMSCCVWBIOM-UHFFFAOYSA-N 0 3 281.400 2.431 20 30 CEEDHN C#CCCCN1CCc2c(cccc2C(=O)OC)C1 ZINC000839093936 644145676 /nfs/dbraw/zinc/14/56/76/644145676.db2.gz ZMMOFLBARNXLCS-UHFFFAOYSA-N 0 3 257.333 2.245 20 30 CEEDHN C#CCOc1ccc(CN2C[C@@H]3C[C@H]2CS3)cc1 ZINC000839191222 644184856 /nfs/dbraw/zinc/18/48/56/644184856.db2.gz GVKNQOCFGOGLQW-ZFWWWQNUSA-N 0 3 259.374 2.388 20 30 CEEDHN CS[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000103330087 644187038 /nfs/dbraw/zinc/18/70/38/644187038.db2.gz SHGXGRYEIKNSOJ-KOLCDFICSA-N 0 3 262.334 2.085 20 30 CEEDHN C[C@@H](CCC#N)CN1CCN(C)c2ncccc2C1 ZINC000877776364 650906397 /nfs/dbraw/zinc/90/63/97/650906397.db2.gz HRTNNNIJLFDRMQ-ZDUSSCGKSA-N 0 3 258.369 2.273 20 30 CEEDHN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccccc1 ZINC000753933147 644296234 /nfs/dbraw/zinc/29/62/34/644296234.db2.gz CWRVZWSCIMHPRF-KBPBESRZSA-N 0 3 256.353 2.271 20 30 CEEDHN c1ccc2c(c1)CCC2=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753934143 644296386 /nfs/dbraw/zinc/29/63/86/644296386.db2.gz GZISJFQLHNFPKF-GJZGRUSLSA-N 0 3 268.364 2.197 20 30 CEEDHN C#CCCCCCC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000855361483 644318098 /nfs/dbraw/zinc/31/80/98/644318098.db2.gz VSANPCLEDWYWTF-AWEZNQCLSA-N 0 3 250.386 2.123 20 30 CEEDHN C=CCCCCN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856557635 644694385 /nfs/dbraw/zinc/69/43/85/644694385.db2.gz SWTHEIAVQXVFPV-JKSUJKDBSA-N 0 3 287.407 2.193 20 30 CEEDHN Cn1cc(CNCCc2ccc(C#N)cc2)c(Cl)n1 ZINC000856792813 644727571 /nfs/dbraw/zinc/72/75/71/644727571.db2.gz AVTGSULTBATBRG-UHFFFAOYSA-N 0 3 274.755 2.277 20 30 CEEDHN CC[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)Nc2ccccc2)O1 ZINC000757306321 644754485 /nfs/dbraw/zinc/75/44/85/644754485.db2.gz QPRVRLKXDMNXQM-RDBSUJKOSA-N 0 3 286.331 2.292 20 30 CEEDHN C=CCN(CC=C)C[C@H](O)CC1(O)CCCCC1 ZINC000877958621 650958048 /nfs/dbraw/zinc/95/80/48/650958048.db2.gz NZMUQDRGGZPMID-CQSZACIVSA-N 0 3 253.386 2.107 20 30 CEEDHN C=CCN1CCC(NC(=O)c2nc(Cl)ccc2F)CC1 ZINC000759014946 644979061 /nfs/dbraw/zinc/97/90/61/644979061.db2.gz JGDCPRQUHIFRIQ-UHFFFAOYSA-N 0 3 297.761 2.254 20 30 CEEDHN C#CCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000759687121 645062849 /nfs/dbraw/zinc/06/28/49/645062849.db2.gz RDJIWMMHYCDHJV-HNNXBMFYSA-N 0 3 282.343 2.124 20 30 CEEDHN C#CC[C@H](COC)NCc1ccc(OC)c(OC(F)F)c1 ZINC000858336063 645124208 /nfs/dbraw/zinc/12/42/08/645124208.db2.gz UEGZGDCLGOJFEB-GFCCVEGCSA-N 0 3 299.317 2.425 20 30 CEEDHN CN(C)c1ccc(C(=O)C(C#N)c2ccncn2)cc1F ZINC000760339615 645142022 /nfs/dbraw/zinc/14/20/22/645142022.db2.gz KJHDHZIADKVXOS-NSHDSACASA-N 0 3 284.294 2.172 20 30 CEEDHN CC[C@@H](OC1CCCC1)C(=O)C(C#N)c1ccncn1 ZINC000760342975 645143269 /nfs/dbraw/zinc/14/32/69/645143269.db2.gz AQGYWEXQIULNIO-TZMCWYRMSA-N 0 3 273.336 2.391 20 30 CEEDHN C=CC[C@H](C)[C@@H](C)NC(c1ccnn1C)c1ccnn1C ZINC000858581336 645210205 /nfs/dbraw/zinc/21/02/05/645210205.db2.gz IZULMCQKRNAMDW-QWHCGFSZSA-N 0 3 287.411 2.433 20 30 CEEDHN C#CCOCCN(C)CCOc1ccccc1Cl ZINC000761107801 645241836 /nfs/dbraw/zinc/24/18/36/645241836.db2.gz ICKMCZVKMFNISS-UHFFFAOYSA-N 0 3 267.756 2.300 20 30 CEEDHN Cc1ccccc1[C@@H](C)CC(=O)C(C#N)C(=O)NC1CC1 ZINC000116592736 645395369 /nfs/dbraw/zinc/39/53/69/645395369.db2.gz BMIWMBGJIVUWMN-WFASDCNBSA-N 0 3 284.359 2.476 20 30 CEEDHN CCN1CCCN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC1 ZINC000859295194 645449416 /nfs/dbraw/zinc/44/94/16/645449416.db2.gz YBMKVBIVQMDPER-UHFFFAOYSA-N 0 3 299.418 2.390 20 30 CEEDHN CN1CCC[C@H]1CNC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000859363032 645469486 /nfs/dbraw/zinc/46/94/86/645469486.db2.gz QHGCPISXXUAYLS-HNNXBMFYSA-N 0 3 285.391 2.046 20 30 CEEDHN COCC#CCN(Cc1ccccc1)CC1(O)CCCC1 ZINC000762925490 645481283 /nfs/dbraw/zinc/48/12/83/645481283.db2.gz GPYGYTSBQZFBDU-UHFFFAOYSA-N 0 3 287.403 2.444 20 30 CEEDHN CN(C(=O)C(C)(C)c1ccc(C#N)cc1)[C@H]1CCCN(C)C1 ZINC000859586265 645527232 /nfs/dbraw/zinc/52/72/32/645527232.db2.gz LEHUQGGJERDELM-INIZCTEOSA-N 0 3 299.418 2.388 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763760057 645576031 /nfs/dbraw/zinc/57/60/31/645576031.db2.gz LZGGTIAHZOFCMS-CQSZACIVSA-N 0 3 275.348 2.406 20 30 CEEDHN C[C@H](CN(C)CCCC#N)NC(=O)OC(C)(C)C ZINC000860095357 645699143 /nfs/dbraw/zinc/69/91/43/645699143.db2.gz CRWFZZZLTSTZCV-LLVKDONJSA-N 0 3 255.362 2.135 20 30 CEEDHN N#CCC1(CN2CCC[C@@H](C(=O)Nc3ccccn3)C2)CC1 ZINC000878213386 651038225 /nfs/dbraw/zinc/03/82/25/651038225.db2.gz FHDAIQSQEURXST-CQSZACIVSA-N 0 3 298.390 2.426 20 30 CEEDHN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000860482802 645803039 /nfs/dbraw/zinc/80/30/39/645803039.db2.gz MGUHJRDISHIDNF-UTUOFQBUSA-N 0 3 295.298 2.126 20 30 CEEDHN C=CC[C@@H](C)N1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000878263770 651047847 /nfs/dbraw/zinc/04/78/47/651047847.db2.gz UQOPMLYAQWTRCG-VXGBXAGGSA-N 0 3 253.415 2.060 20 30 CEEDHN C#CC[C@@H]1CCN(Cc2cn3cc(C)ccc3n2)C1 ZINC000862448381 646465359 /nfs/dbraw/zinc/46/53/59/646465359.db2.gz XVHLMJCYHWZPFX-CQSZACIVSA-N 0 3 253.349 2.488 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1CC=C(C(=O)OC)C1 ZINC000862464509 646468950 /nfs/dbraw/zinc/46/89/50/646468950.db2.gz AIRWLXCZRMXNOU-OAHLLOKOSA-N 0 3 285.343 2.050 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CO)C2CC2)c(OC(F)F)c1 ZINC000771814530 646554820 /nfs/dbraw/zinc/55/48/20/646554820.db2.gz ALIYMIMIRVOWGU-LBPRGKRZSA-N 0 3 282.290 2.020 20 30 CEEDHN CCC(=NNCC(C)(C)O)c1ccc(N(C)C)cc1 ZINC000863137637 646652229 /nfs/dbraw/zinc/65/22/29/646652229.db2.gz GLBXLYRCHGROGG-UHFFFAOYSA-N 0 3 263.385 2.227 20 30 CEEDHN C#CCCCCC(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000773433093 646738179 /nfs/dbraw/zinc/73/81/79/646738179.db2.gz YKHYPOAJPGXWED-HOTGVXAUSA-N 0 3 294.439 2.186 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774484096 646852579 /nfs/dbraw/zinc/85/25/79/646852579.db2.gz RWBPMTWILGVHEK-OLZOCXBDSA-N 0 3 275.396 2.094 20 30 CEEDHN C#CCCCN1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000774726077 646886303 /nfs/dbraw/zinc/88/63/03/646886303.db2.gz BCBBVSCBUXQRRF-UHFFFAOYSA-N 0 3 282.391 2.094 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000775263345 646935236 /nfs/dbraw/zinc/93/52/36/646935236.db2.gz WPMUXEWUACZKGW-DOMZBBRYSA-N 0 3 290.363 2.231 20 30 CEEDHN C#C[C@@H](NCc1ccc(OCC)cc1O)[C@@H]1CCCO1 ZINC000775341389 646942971 /nfs/dbraw/zinc/94/29/71/646942971.db2.gz MFBIMBXLFXUHEH-ZBFHGGJFSA-N 0 3 275.348 2.061 20 30 CEEDHN C#C[C@@H]([NH2+]Cc1ccc(OCC)cc1[O-])[C@@H]1CCCO1 ZINC000775341389 646942973 /nfs/dbraw/zinc/94/29/73/646942973.db2.gz MFBIMBXLFXUHEH-ZBFHGGJFSA-N 0 3 275.348 2.061 20 30 CEEDHN C#C[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])[C@@H]1CCCO1 ZINC000775571676 646967271 /nfs/dbraw/zinc/96/72/71/646967271.db2.gz JEEUXKHFKZKXOG-DGFSRKRXSA-N 0 3 263.312 2.363 20 30 CEEDHN Cc1ccccc1[C@H](NCC(=O)NCCC#N)C1CC1 ZINC000776021101 647016585 /nfs/dbraw/zinc/01/65/85/647016585.db2.gz HQPZPOAZQILKJZ-MRXNPFEDSA-N 0 3 271.364 2.066 20 30 CEEDHN Cc1nc(C)c(C#N)c(SCCN2CCCC2)n1 ZINC000776432649 647062612 /nfs/dbraw/zinc/06/26/12/647062612.db2.gz OYIBNPZMLDNGDK-UHFFFAOYSA-N 0 3 262.382 2.153 20 30 CEEDHN C=CCCC[C@H](C)NCc1cn(C[C@@H]2CCCO2)nn1 ZINC000865522272 647338328 /nfs/dbraw/zinc/33/83/28/647338328.db2.gz NAIQHZRHRWQMET-ZFWWWQNUSA-N 0 3 278.400 2.292 20 30 CEEDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2coc(C#N)c2)C1 ZINC000865648572 647405367 /nfs/dbraw/zinc/40/53/67/647405367.db2.gz FIAWWERKARGLBH-CQSZACIVSA-N 0 3 295.342 2.284 20 30 CEEDHN N#Cc1ccc(CN[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c(F)c1 ZINC000865696475 647428574 /nfs/dbraw/zinc/42/85/74/647428574.db2.gz RJHGDKCSVOHVMV-XNHWPECASA-N 0 3 272.323 2.210 20 30 CEEDHN CCCC[C@H](ON=C(C)C)C(=O)NC[C@@H]1CCCN1C ZINC000780980134 647487316 /nfs/dbraw/zinc/48/73/16/647487316.db2.gz MNEUJRMAQWACNL-KBPBESRZSA-N 0 3 283.416 2.168 20 30 CEEDHN C#CCCCCCC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000781185738 647506146 /nfs/dbraw/zinc/50/61/46/647506146.db2.gz VHSIXUBULYYFCB-CQSZACIVSA-N 0 3 262.397 2.337 20 30 CEEDHN CC[C@H](C#N)OC(=O)C(C)(C)N(C)C1CCCC1 ZINC000781201577 647508043 /nfs/dbraw/zinc/50/80/43/647508043.db2.gz IXZRCSGFQOPXDW-GFCCVEGCSA-N 0 3 252.358 2.485 20 30 CEEDHN COC(=O)CCN1CCC(=NN[C@@H]2CCCC2(C)C)CC1 ZINC000782285573 647608968 /nfs/dbraw/zinc/60/89/68/647608968.db2.gz DQUSFQSJDRPVBS-CQSZACIVSA-N 0 3 295.427 2.170 20 30 CEEDHN C#CCNC(=O)CN[C@@H](CC(C)C)c1ccccc1 ZINC000782846888 647659359 /nfs/dbraw/zinc/65/93/59/647659359.db2.gz VTDSQMXAQKEKAC-HNNXBMFYSA-N 0 3 258.365 2.113 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1coc(C#N)c1 ZINC000867910590 647986679 /nfs/dbraw/zinc/98/66/79/647986679.db2.gz MNFKJDKZKUORHD-CYBMUJFWSA-N 0 3 275.352 2.001 20 30 CEEDHN CN(C)c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1F ZINC000868051212 648035410 /nfs/dbraw/zinc/03/54/10/648035410.db2.gz JCBSDDPQANCMQE-ZDUSSCGKSA-N 0 3 292.358 2.241 20 30 CEEDHN C#CCCCNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000868323071 648097400 /nfs/dbraw/zinc/09/74/00/648097400.db2.gz YJIAGRDUXUSJCD-KRWDZBQOSA-N 0 3 299.418 2.282 20 30 CEEDHN N#CCC1(COC(=O)C2CCN(C3CC3)CC2)CC1 ZINC000805888412 648295567 /nfs/dbraw/zinc/29/55/67/648295567.db2.gz IDEMZZRIMHJZJH-UHFFFAOYSA-N 0 3 262.353 2.098 20 30 CEEDHN CCN(Cc1cc(Cl)ccc1OCC#N)[C@H](C)CO ZINC000794713158 648905639 /nfs/dbraw/zinc/90/56/39/648905639.db2.gz WEWUZACAUPNHRU-LLVKDONJSA-N 0 3 282.771 2.445 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871157004 649017588 /nfs/dbraw/zinc/01/75/88/649017588.db2.gz RPHHYLOBWJGHOF-UHFFFAOYSA-N 0 3 275.352 2.016 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC2(CCNC2=O)CC1 ZINC000872096212 649272271 /nfs/dbraw/zinc/27/22/71/649272271.db2.gz YUVCCODLBBJTBV-ZDUSSCGKSA-N 0 3 283.375 2.221 20 30 CEEDHN Cc1cccc([C@H](C)C(=O)C(C#N)C(=O)NC2CC2)c1 ZINC000124059374 649366058 /nfs/dbraw/zinc/36/60/58/649366058.db2.gz SHXRPBANYRMZBP-FZMZJTMJSA-N 0 3 270.332 2.086 20 30 CEEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000874827760 649843604 /nfs/dbraw/zinc/84/36/04/649843604.db2.gz UBRMEIYHZYVMPU-VBQJREDUSA-N 0 3 287.407 2.156 20 30 CEEDHN C=CC[C@@H](C)N1CCN(c2cccc(C#N)n2)CC1 ZINC000878433859 651095108 /nfs/dbraw/zinc/09/51/08/651095108.db2.gz MHPARIPNXNULGC-CYBMUJFWSA-N 0 3 256.353 2.040 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cncc3[nH]ccc32)CC1 ZINC000878750531 651178212 /nfs/dbraw/zinc/17/82/12/651178212.db2.gz HVHJLCZYVVMJBW-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN CN(C[C@@H](O)c1cccc(C#N)c1)C[C@H]1CC(C)(C)CO1 ZINC000878800785 651188313 /nfs/dbraw/zinc/18/83/13/651188313.db2.gz GITIYDKEEPCLCP-HZPDHXFCSA-N 0 3 288.391 2.339 20 30 CEEDHN C=CCN(C[C@H]1CCC2(CCOCC2)O1)[C@H](C)COC ZINC000878889854 651204411 /nfs/dbraw/zinc/20/44/11/651204411.db2.gz KVRBMHRGXHIZAG-HUUCEWRRSA-N 0 3 283.412 2.238 20 30 CEEDHN CN(CCC(=O)C1CC1)CCc1cccc(C#N)c1 ZINC000879433289 651302933 /nfs/dbraw/zinc/30/29/33/651302933.db2.gz RYSZCRPMVFKNNR-UHFFFAOYSA-N 0 3 256.349 2.402 20 30 CEEDHN C=CC(C)(C)CC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000879526096 651316569 /nfs/dbraw/zinc/31/65/69/651316569.db2.gz UBYOVQWYZDVBMN-UHFFFAOYSA-N 0 3 295.471 2.121 20 30 CEEDHN Cc1csc([C@H]2CCN(CCOCCC#N)C2)n1 ZINC000880011160 651374436 /nfs/dbraw/zinc/37/44/36/651374436.db2.gz IDQSQNGYCHFJHN-LBPRGKRZSA-N 0 3 265.382 2.171 20 30 CEEDHN C=CCCn1cc(CN[C@H](CC)[C@H]2CCCOC2)nn1 ZINC000880468816 651446222 /nfs/dbraw/zinc/44/62/22/651446222.db2.gz CCHNXLPVEOZRLK-DZGCQCFKSA-N 0 3 278.400 2.149 20 30 CEEDHN C#CCC1(O)CCN(Cc2cccc(OC)c2)CC1 ZINC000880477973 651447724 /nfs/dbraw/zinc/44/77/24/651447724.db2.gz ZBNHZVULKWZTJN-UHFFFAOYSA-N 0 3 259.349 2.045 20 30 CEEDHN C#CCC1(O)CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000880483395 651448286 /nfs/dbraw/zinc/44/82/86/651448286.db2.gz BFOGHQBJIQEGOT-CQSZACIVSA-N 0 3 268.360 2.469 20 30 CEEDHN Cc1cc(F)c(C#N)cc1NC(=O)N(C)CCN(C)C ZINC000880992874 651574831 /nfs/dbraw/zinc/57/48/31/651574831.db2.gz IXTFINFETBVGQY-UHFFFAOYSA-N 0 3 278.331 2.031 20 30 CEEDHN Cc1nc(C#N)cc(N2CCN(CCC(C)(C)C)CC2)n1 ZINC000881835597 651897669 /nfs/dbraw/zinc/89/76/69/651897669.db2.gz FMBAXIAUPADXNV-UHFFFAOYSA-N 0 3 287.411 2.215 20 30 CEEDHN N#Cc1ccc(CNC[C@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000883366695 652446078 /nfs/dbraw/zinc/44/60/78/652446078.db2.gz YMVWOSYJRZBCQP-JTQLQIEISA-N 0 3 294.223 2.206 20 30 CEEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCCc3ccccc31)C2 ZINC000884043958 652654081 /nfs/dbraw/zinc/65/40/81/652654081.db2.gz PNYFJHVRRWHGLR-SWKXRBFHSA-N 0 3 295.386 2.105 20 30 CEEDHN C[C@H](N(C)C(=O)C1CC2(C1)CNC[C@H]2C#N)C(C)(C)C ZINC000884087465 652702020 /nfs/dbraw/zinc/70/20/20/652702020.db2.gz DOZFKFLUAWZZDT-OPXGVBIBSA-N 0 3 277.412 2.019 20 30 CEEDHN CC[C@@H]1CCCCCN1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884144206 652727837 /nfs/dbraw/zinc/72/78/37/652727837.db2.gz DWJUOCANQYZVBD-GYMHETDLSA-N 0 3 289.423 2.307 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)CC1 ZINC000884161873 652736553 /nfs/dbraw/zinc/73/65/53/652736553.db2.gz OSLXBSKEAJCEOY-CLWVCHIJSA-N 0 3 291.439 2.228 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)CC1 ZINC000884161876 652736729 /nfs/dbraw/zinc/73/67/29/652736729.db2.gz OSLXBSKEAJCEOY-VRKREXBASA-N 0 3 291.439 2.228 20 30 CEEDHN CCC1(CNC(=O)C2CC3(C2)CNC[C@@H]3C#N)CCCC1 ZINC000884163458 652737536 /nfs/dbraw/zinc/73/75/36/652737536.db2.gz HGVOKDAGQQXFKK-UUCFBXCCSA-N 0 3 289.423 2.212 20 30 CEEDHN CC1CCC(CNC(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884287784 652780623 /nfs/dbraw/zinc/78/06/23/652780623.db2.gz LWODZOMHOSAJCV-RDVIWEACSA-N 0 3 289.423 2.068 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)on2)[C@H]1CC ZINC001087492792 805576079 /nfs/dbraw/zinc/57/60/79/805576079.db2.gz QROUVLGXIIEXSL-GXTWGEPZSA-N 0 3 277.368 2.142 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C2C=CC=CC=C2)[C@H]1CC ZINC001087589050 805757448 /nfs/dbraw/zinc/75/74/48/805757448.db2.gz GXFHTFLRVQXNEK-JKSUJKDBSA-N 0 3 272.392 2.440 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCc3cccnc32)[C@H]1CC ZINC001087704168 805774494 /nfs/dbraw/zinc/77/44/94/805774494.db2.gz GVSZKFVVRYRQBS-OWCLPIDISA-N 0 3 299.418 2.267 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]c3cccnc32)[C@H]1CC ZINC001087797841 805797520 /nfs/dbraw/zinc/79/75/20/805797520.db2.gz LJXGYESVUVNGJY-DZGCQCFKSA-N 0 3 298.390 2.332 20 30 CEEDHN C=CCCCN1C[C@@H](NC(=O)C(CC)CC)[C@H](OC)C1 ZINC001211896971 805968254 /nfs/dbraw/zinc/96/82/54/805968254.db2.gz SEJWQJQAIHLYHK-HUUCEWRRSA-N 0 3 282.428 2.204 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H](C)C#N)C1 ZINC001088280026 806081014 /nfs/dbraw/zinc/08/10/14/806081014.db2.gz HNQDGNMVVGXVAD-DGCLKSJQSA-N 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C#CCN1CC[C@H]2CCN(C(=O)CC3=CCCCC3)C[C@H]21 ZINC001041979344 803164292 /nfs/dbraw/zinc/16/42/92/803164292.db2.gz VNAREMDJTMQWBE-DLBZAZTESA-N 0 3 286.419 2.433 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)C(F)=C(C)C)C[C@H]21 ZINC001042014735 803200681 /nfs/dbraw/zinc/20/06/81/803200681.db2.gz XOTALLXBTCRPIU-QWHCGFSZSA-N 0 3 266.360 2.359 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)C[C@H]1CCC(C)(C)CO1 ZINC001267207820 803232441 /nfs/dbraw/zinc/23/24/41/803232441.db2.gz PKPYGZKUWSWBJV-CQSZACIVSA-N 0 3 282.428 2.206 20 30 CEEDHN CN(CCc1ccncc1)Cc1cncc(C#N)c1 ZINC000721544147 803326184 /nfs/dbraw/zinc/32/61/84/803326184.db2.gz JZOCKDGJIMLXMO-UHFFFAOYSA-N 0 3 252.321 2.023 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001267295125 803340933 /nfs/dbraw/zinc/34/09/33/803340933.db2.gz RFZAFYZGCOZMLM-KBPBESRZSA-N 0 3 298.377 2.273 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)COC1CCCCC1 ZINC001267314684 803360240 /nfs/dbraw/zinc/36/02/40/803360240.db2.gz ADRJTOZFVUTAHP-UHFFFAOYSA-N 0 3 294.439 2.187 20 30 CEEDHN C=CCN(CCNC(=O)[C@@H]1C[C@]1(C)C(C)C)C1CC1 ZINC001267335422 803381072 /nfs/dbraw/zinc/38/10/72/803381072.db2.gz UVHBIXASFVNCOS-GOEBONIOSA-N 0 3 264.413 2.435 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(C(C)C)cn2)C1 ZINC001023588198 803389406 /nfs/dbraw/zinc/38/94/06/803389406.db2.gz SQSFAHCLZFOXSO-HNNXBMFYSA-N 0 3 299.418 2.280 20 30 CEEDHN C#CCCN[C@H](CNC(=O)c1cc(C)no1)c1ccccc1 ZINC001267350524 803399811 /nfs/dbraw/zinc/39/98/11/803399811.db2.gz FAPYZCMLSVAXLG-OAHLLOKOSA-N 0 3 297.358 2.067 20 30 CEEDHN N#Cc1cncc(CN2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000721571785 803410061 /nfs/dbraw/zinc/41/00/61/803410061.db2.gz JDRJDUIFXQAQNM-KGLIPLIRSA-N 0 3 259.378 2.423 20 30 CEEDHN C=CCN[C@@H](CNC(=O)[C@@H](OC)C(C)C)c1ccccc1 ZINC001267369628 803419312 /nfs/dbraw/zinc/41/93/12/803419312.db2.gz FRNWCVLGMPLASC-HOTGVXAUSA-N 0 3 290.407 2.291 20 30 CEEDHN C=C(C)CN[C@@H](CNC(=O)c1cccnn1)c1ccccc1 ZINC001267378017 803436457 /nfs/dbraw/zinc/43/64/57/803436457.db2.gz VLBLMJIYMYBZKJ-INIZCTEOSA-N 0 3 296.374 2.113 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C=C(C)CN1CC[C@@H](N(C)C(=O)c2c[nH]c3ncccc23)C1 ZINC001033668495 809374496 /nfs/dbraw/zinc/37/44/96/809374496.db2.gz HDFUGOZATURPCE-CYBMUJFWSA-N 0 3 298.390 2.285 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(C)o2)C1 ZINC001033751439 809400643 /nfs/dbraw/zinc/40/06/43/809400643.db2.gz IRFDTDUHNMHSMG-CQSZACIVSA-N 0 3 274.364 2.148 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001033749175 809404148 /nfs/dbraw/zinc/40/41/48/809404148.db2.gz ATPZXOGWCPFMMN-HZPDHXFCSA-N 0 3 274.408 2.289 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C)C1 ZINC001033921669 809453477 /nfs/dbraw/zinc/45/34/77/809453477.db2.gz GVBBIPMHCFINMD-HZSPNIEDSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)C2CCCC2)C1 ZINC001034065654 809496255 /nfs/dbraw/zinc/49/62/55/809496255.db2.gz RQCIPCNPCOSZET-CQSZACIVSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC001034188966 809542846 /nfs/dbraw/zinc/54/28/46/809542846.db2.gz GZPFHIMCGFZHLJ-ZDUSSCGKSA-N 0 3 261.369 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CC(=O)N1CCCN([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172308198 815364485 /nfs/dbraw/zinc/36/44/85/815364485.db2.gz JBELYQWUHDSWSG-CQSZACIVSA-N 0 3 285.391 2.043 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2nc(C3CC3)oc2C)C1 ZINC001015923031 810374022 /nfs/dbraw/zinc/37/40/22/810374022.db2.gz KEOPGVJUXWDRQV-ZDUSSCGKSA-N 0 3 289.379 2.241 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001015965872 810379841 /nfs/dbraw/zinc/37/98/41/810379841.db2.gz XYLSLDQDMKXDCJ-CQSZACIVSA-N 0 3 262.397 2.189 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001016048177 810392394 /nfs/dbraw/zinc/39/23/94/810392394.db2.gz WIPWJFNPEWNENF-YESZJQIVSA-N 0 3 282.387 2.004 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001016186456 810409407 /nfs/dbraw/zinc/40/94/07/810409407.db2.gz GKFDGYBIFCSEPO-MRXNPFEDSA-N 0 3 284.403 2.439 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001016363172 810426978 /nfs/dbraw/zinc/42/69/78/810426978.db2.gz PQXLNYSXJNGPGE-CABCVRRESA-N 0 3 276.424 2.417 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ccc(C)o2)CC1 ZINC001016486116 810444018 /nfs/dbraw/zinc/44/40/18/810444018.db2.gz RMQXXDKCKYECGX-OAHLLOKOSA-N 0 3 286.375 2.196 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3occc3C)[C@@H]2C1 ZINC001084190264 810445298 /nfs/dbraw/zinc/44/52/98/810445298.db2.gz YNKJJJMCQDOSSZ-ZIAGYGMSSA-N 0 3 274.364 2.310 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001016558805 810451465 /nfs/dbraw/zinc/45/14/65/810451465.db2.gz HGXPNQSDOIGDJD-QXSJWSMHSA-N 0 3 286.419 2.027 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C2=CCCCCC2)CC1 ZINC001016585077 810456191 /nfs/dbraw/zinc/45/61/91/810456191.db2.gz KKCPMNHFMUSYLL-MRXNPFEDSA-N 0 3 286.419 2.481 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc(C)cs2)CC1 ZINC001016613061 810457891 /nfs/dbraw/zinc/45/78/91/810457891.db2.gz QRNYEJYKKDDKQD-AWEZNQCLSA-N 0 3 288.416 2.274 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)/C=C/c3ccc[nH]3)[C@@H]2C1 ZINC001084304243 810462066 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C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC34CCC4)C[C@@H]21 ZINC001085044528 810571832 /nfs/dbraw/zinc/57/18/32/810571832.db2.gz ZFFVVYIBTLBILQ-KFWWJZLASA-N 0 3 274.408 2.285 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)C(C)C)C[C@@H]21 ZINC001085047664 810573541 /nfs/dbraw/zinc/57/35/41/810573541.db2.gz FOQSDYYFTSUGID-XHSDSOJGSA-N 0 3 276.424 2.225 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc(C(F)F)ccc2F)C1 ZINC001018855982 810661196 /nfs/dbraw/zinc/66/11/96/810661196.db2.gz JKYDIZHLCILLOJ-NSHDSACASA-N 0 3 296.292 2.201 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC001018989814 810669674 /nfs/dbraw/zinc/66/96/74/810669674.db2.gz XYARFNAUMCBKOV-ULQDDVLXSA-N 0 3 288.435 2.417 20 30 CEEDHN CCn1cnc(CN[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172298696 815387699 /nfs/dbraw/zinc/38/76/99/815387699.db2.gz AEWPGEXHQGYMJI-ZDUSSCGKSA-N 0 3 268.364 2.495 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cccc3c(C)c(C)[nH]c32)C1 ZINC001019054860 810674444 /nfs/dbraw/zinc/67/44/44/810674444.db2.gz 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/nfs/dbraw/zinc/77/94/73/810779473.db2.gz KLHOUZLEKICXAL-DCAQKATOSA-N 0 3 292.757 2.411 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1CCC(O)CC1 ZINC001085569317 810832316 /nfs/dbraw/zinc/83/23/16/810832316.db2.gz GBKOJYDQDDBHAR-PCKAHOCUSA-N 0 3 294.439 2.036 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001038536702 810860219 /nfs/dbraw/zinc/86/02/19/810860219.db2.gz HKSXFJADRVGBNZ-HNNXBMFYSA-N 0 3 287.407 2.469 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCN2CCC=C)cc1 ZINC001038580782 810867072 /nfs/dbraw/zinc/86/70/72/810867072.db2.gz DACGNVZWVCOECU-MRXNPFEDSA-N 0 3 268.360 2.048 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)cncc1C ZINC001085721994 810886743 /nfs/dbraw/zinc/88/67/43/810886743.db2.gz LQBWSYWHAOVQHK-OAHLLOKOSA-N 0 3 287.407 2.421 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc2cn[nH]c21 ZINC001085757835 810902142 /nfs/dbraw/zinc/90/21/42/810902142.db2.gz SFXQTIYOAMNIEK-CQSZACIVSA-N 0 3 298.390 2.285 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1C ZINC001085769833 810905313 /nfs/dbraw/zinc/90/53/13/810905313.db2.gz RSKFKBGIYYLGKP-MJBXVCDLSA-N 0 3 250.386 2.141 20 30 CEEDHN CCCCCCCC[C@@H](N)C(=O)N(C)Cc1ccn(C)n1 ZINC001122395122 815407895 /nfs/dbraw/zinc/40/78/95/815407895.db2.gz NCTMPVVDASCLTM-OAHLLOKOSA-N 0 3 294.443 2.456 20 30 CEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCN1CC(C)C ZINC001038800978 810920949 /nfs/dbraw/zinc/92/09/49/810920949.db2.gz WPXBGNPOBOGCDK-PMPSAXMXSA-N 0 3 294.439 2.204 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cncc(Cl)c1 ZINC001085874029 810951508 /nfs/dbraw/zinc/95/15/08/810951508.db2.gz PDTLVQPUGJPYBH-CQSZACIVSA-N 0 3 293.798 2.457 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccccc1OC ZINC001038945247 810953297 /nfs/dbraw/zinc/95/32/97/810953297.db2.gz QHEYIUCQLAPDAD-AWEZNQCLSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccnc(C)c1 ZINC001085883988 810954994 /nfs/dbraw/zinc/95/49/94/810954994.db2.gz RKZFPJOWFNQVDN-HNNXBMFYSA-N 0 3 273.380 2.112 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c[nH]cc1C ZINC001039016362 810970188 /nfs/dbraw/zinc/97/01/88/810970188.db2.gz ZHFBKNAWXYMDDQ-CYBMUJFWSA-N 0 3 261.369 2.093 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccccc1N(C)C ZINC001039077842 810982461 /nfs/dbraw/zinc/98/24/61/810982461.db2.gz RCTLCWWIYSIVRF-AWEZNQCLSA-N 0 3 287.407 2.133 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cccc(C)n2)C1 ZINC001086031604 811012358 /nfs/dbraw/zinc/01/23/58/811012358.db2.gz IGYKZRYNMPDWNC-BETUJISGSA-N 0 3 293.798 2.241 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001039363137 811016844 /nfs/dbraw/zinc/01/68/44/811016844.db2.gz WYFMXRCHDLVEPH-CABCVRRESA-N 0 3 298.390 2.141 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CC1 ZINC001039434343 811030806 /nfs/dbraw/zinc/03/08/06/811030806.db2.gz OEHYDWNVVZXYSZ-KGLIPLIRSA-N 0 3 280.387 2.378 20 30 CEEDHN CC(=O)N1CC[C@@]2(C1)CCCN(Cc1cccc(C#N)c1)C2 ZINC001040025858 811072577 /nfs/dbraw/zinc/07/25/77/811072577.db2.gz UTUCUULEZWVQEX-SFHVURJKSA-N 0 3 297.402 2.393 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H](OCC)C(C)C)CC1 ZINC001273417321 811086056 /nfs/dbraw/zinc/08/60/56/811086056.db2.gz GAIBGCUWNHPNQT-HOTGVXAUSA-N 0 3 294.439 2.042 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C3CC=CC3)C2)C1 ZINC001040134419 811091217 /nfs/dbraw/zinc/09/12/17/811091217.db2.gz PJHHBJQVTQMYTJ-SFHVURJKSA-N 0 3 286.419 2.290 20 30 CEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)c3[nH]ccc3C)C2)C1 ZINC001040188540 811096628 /nfs/dbraw/zinc/09/66/28/811096628.db2.gz SHIIKIJVOUUYDQ-GOSISDBHSA-N 0 3 299.418 2.275 20 30 CEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3conc3C)C2)C1 ZINC001040358989 811104532 /nfs/dbraw/zinc/10/45/32/811104532.db2.gz AZXUEZHCPHBTCU-INIZCTEOSA-N 0 3 289.379 2.097 20 30 CEEDHN N#CC(=C([O-])c1cnn(C2CCC2)c1)c1ccccn1 ZINC001122538254 815423204 /nfs/dbraw/zinc/42/32/04/815423204.db2.gz BVIHTYDNCLNRCU-CYBMUJFWSA-N 0 3 266.304 2.493 20 30 CEEDHN N#CC(C(=O)c1cnn(C2CCC2)c1)c1ccccn1 ZINC001122538254 815423207 /nfs/dbraw/zinc/42/32/07/815423207.db2.gz BVIHTYDNCLNRCU-CYBMUJFWSA-N 0 3 266.304 2.493 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC001040996754 811132911 /nfs/dbraw/zinc/13/29/11/811132911.db2.gz BDSNLBBRUXCDBE-KRWDZBQOSA-N 0 3 274.408 2.124 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)C[C@@H]3C=CCC3)C2)C1 ZINC001041051965 811139749 /nfs/dbraw/zinc/13/97/49/811139749.db2.gz BUMLSTPGPGIXOH-AEFFLSMTSA-N 0 3 286.419 2.290 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)Cc3ccccc3)C2)C1 ZINC001041414196 811166867 /nfs/dbraw/zinc/16/68/67/811166867.db2.gz FGJLDKJYQOGUSA-IBGZPJMESA-N 0 3 296.414 2.177 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)C3CCC(=C)CC3)C2)C1 ZINC001041636015 811182574 /nfs/dbraw/zinc/18/25/74/811182574.db2.gz OYWPBLLCOKIUHF-SFHVURJKSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@H](C)C3CCCC3)C2)C1 ZINC001041782504 811191968 /nfs/dbraw/zinc/19/19/68/811191968.db2.gz ZPNGGEFTZCYNCT-YJBOKZPZSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)C3(F)CCCCC3)C2)C1 ZINC001041771941 811193143 /nfs/dbraw/zinc/19/31/43/811193143.db2.gz FINAZTSEQVMKNK-INIZCTEOSA-N 0 3 292.398 2.216 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C[C@@H](C)C3CC3)C2)C1 ZINC001041849181 811198140 /nfs/dbraw/zinc/19/81/40/811198140.db2.gz RYLQMHMCORDJTF-CRAIPNDOSA-N 0 3 288.435 2.370 20 30 CEEDHN CCC(=O)N1CC[C@H]2CCN(Cc3ccc(C#N)cc3)[C@H]2C1 ZINC001041865177 811199270 /nfs/dbraw/zinc/19/92/70/811199270.db2.gz HHVJQJRQCNYHEW-SJORKVTESA-N 0 3 297.402 2.391 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(C)CC=CC3)C[C@H]21 ZINC001042221281 811258092 /nfs/dbraw/zinc/25/80/92/811258092.db2.gz KNWOKQFOPZTWPB-LSDHHAIUSA-N 0 3 274.408 2.452 20 30 CEEDHN C#CCN1CC[C@@H]2CCN(C(=O)CCc3ccccc3)C[C@H]21 ZINC001042325253 811267198 /nfs/dbraw/zinc/26/71/98/811267198.db2.gz AQEGPDGKVRGWLF-QZTJIDSGSA-N 0 3 296.414 2.175 20 30 CEEDHN C[C@H](N)c1ccn(-c2cccc(C3(C#N)CCOCC3)c2)n1 ZINC001169235254 811431733 /nfs/dbraw/zinc/43/17/33/811431733.db2.gz UJBCUQHLHYDODD-ZDUSSCGKSA-N 0 3 296.374 2.464 20 30 CEEDHN C[C@H](N)c1ccn(-c2nc3ccccc3cc2C#N)n1 ZINC001169228676 811440881 /nfs/dbraw/zinc/44/08/81/811440881.db2.gz 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C=C(C)CCN1CC[C@](C)(NC(=O)c2nccs2)C1 ZINC001046724941 811805569 /nfs/dbraw/zinc/80/55/69/811805569.db2.gz SHAQSKFHKHFBSV-AWEZNQCLSA-N 0 3 279.409 2.304 20 30 CEEDHN COC(=O)[C@@H]1CCC[C@@H](NCC2(C#N)CCCC2)C1 ZINC001172585886 815476923 /nfs/dbraw/zinc/47/69/23/815476923.db2.gz IDOKZPXVVKGBPL-CHWSQXEVSA-N 0 3 264.369 2.392 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)C(C)C)C2 ZINC001109058104 811816934 /nfs/dbraw/zinc/81/69/34/811816934.db2.gz CNLXKXVEVWFOFG-FZKCQIBNSA-N 0 3 276.424 2.413 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001046828995 811824225 /nfs/dbraw/zinc/82/42/25/811824225.db2.gz PHKLQXSCKODDSE-SFHVURJKSA-N 0 3 295.386 2.385 20 30 CEEDHN CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1C#N)C2 ZINC001046998567 811846678 /nfs/dbraw/zinc/84/66/78/811846678.db2.gz PDTJUYPBBKSDSY-XKQJLSEDSA-N 0 3 283.375 2.047 20 30 CEEDHN O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCCF ZINC001109257851 811853712 /nfs/dbraw/zinc/85/37/12/811853712.db2.gz 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C=CCC[C@H](C)N1CCN(C(=O)CC[C@H](C)OC)CC1 ZINC001112789506 812067273 /nfs/dbraw/zinc/06/72/73/812067273.db2.gz IYKWSQSIKYVZRC-GJZGRUSLSA-N 0 3 282.428 2.300 20 30 CEEDHN C=C[C@](C)(O)CC(=O)N1CCN(C[C@H](C)CC(C)C)CC1 ZINC001112814319 812073717 /nfs/dbraw/zinc/07/37/17/812073717.db2.gz NDHOLEPHHPCHEA-WBVHZDCISA-N 0 3 296.455 2.140 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(C4CC4)cc3)C[C@@H]2C1 ZINC001049227272 812088596 /nfs/dbraw/zinc/08/85/96/812088596.db2.gz BHSFJOYYFUFIRW-HDICACEKSA-N 0 3 294.398 2.201 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC=CCC1 ZINC001049328731 812119395 /nfs/dbraw/zinc/11/93/95/812119395.db2.gz YCFPSWLNUFVQKP-BRWVUGGUSA-N 0 3 286.419 2.431 20 30 CEEDHN C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001049338619 812123820 /nfs/dbraw/zinc/12/38/20/812123820.db2.gz GFNXETIHKKZFQQ-GJZGRUSLSA-N 0 3 286.375 2.257 20 30 CEEDHN C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001049338619 812123821 /nfs/dbraw/zinc/12/38/21/812123821.db2.gz 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C#CCN1CCC[C@@H](NC(=O)[C@H](C)C2CCCC2)CC1 ZINC001052857658 812468071 /nfs/dbraw/zinc/46/80/71/812468071.db2.gz QQSBYSLAOITFRC-GDBMZVCRSA-N 0 3 276.424 2.417 20 30 CEEDHN COC(=O)[C@@H]1CCC[C@H](N2CC[C@@](C)(C#N)C2)CC1 ZINC001172804757 815533425 /nfs/dbraw/zinc/53/34/25/815533425.db2.gz WRJHYSAJIISBEC-IPYPFGDCSA-N 0 3 264.369 2.344 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)/C=C\C1CC1)C2 ZINC001054108626 812537551 /nfs/dbraw/zinc/53/75/51/812537551.db2.gz CQCUYSWEAGERBF-ZEVQVBBLSA-N 0 3 286.419 2.290 20 30 CEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)/C=C\C1CC1)C2 ZINC001054108624 812537634 /nfs/dbraw/zinc/53/76/34/812537634.db2.gz CQCUYSWEAGERBF-JTHGQSKGSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001054155363 812544839 /nfs/dbraw/zinc/54/48/39/812544839.db2.gz PKMLGQIQMZMAPT-IBGZPJMESA-N 0 3 296.414 2.177 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C(C)(C)C1CC1)C2 ZINC001054182310 812548195 /nfs/dbraw/zinc/54/81/95/812548195.db2.gz HHCDKDHDQJDULR-SFHVURJKSA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](C)CC)C1 ZINC001130347931 812560037 /nfs/dbraw/zinc/56/00/37/812560037.db2.gz CMZOKDAVCXYTDO-STQMWFEESA-N 0 3 290.411 2.047 20 30 CEEDHN COC(=O)[C@@H]1CC[C@@H](NC2(CC#N)CCCC2)C1 ZINC001170538511 812637819 /nfs/dbraw/zinc/63/78/19/812637819.db2.gz JHXYIIIOIDQITO-VXGBXAGGSA-N 0 3 250.342 2.144 20 30 CEEDHN CC#CCNCCNC(=O)[C@H]1CCc2c1cccc2Cl ZINC001131408758 812667931 /nfs/dbraw/zinc/66/79/31/812667931.db2.gz WJUNMWJBKWPHKK-AWEZNQCLSA-N 0 3 290.794 2.099 20 30 CEEDHN C#CCCCC(=O)NCC1CC(NCC(=C)Cl)C1 ZINC001100282520 812711616 /nfs/dbraw/zinc/71/16/16/812711616.db2.gz ONIPRAUYXHRJRZ-UHFFFAOYSA-N 0 3 268.788 2.027 20 30 CEEDHN CC#CCN1CCC(C2(NC(=O)C3=CCCC3)CC2)CC1 ZINC001000120013 812751059 /nfs/dbraw/zinc/75/10/59/812751059.db2.gz YXWUWNYSWBPDCC-UHFFFAOYSA-N 0 3 286.419 2.481 20 30 CEEDHN C=CCCC(=O)N[C@H]1CC[C@@H](C)N(CCOCC=C)C1 ZINC001131895554 812754271 /nfs/dbraw/zinc/75/42/71/812754271.db2.gz KIRWTMZXEHQHBV-CABCVRRESA-N 0 3 280.412 2.124 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CC3(C)C)[C@@H]2C1 ZINC001050023194 812772338 /nfs/dbraw/zinc/77/23/38/812772338.db2.gz GTVPIKVQIMCJHE-MELADBBJSA-N 0 3 262.397 2.141 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132017228 812776763 /nfs/dbraw/zinc/77/67/63/812776763.db2.gz NDAMBXKDMVZHCY-CABCVRRESA-N 0 3 262.397 2.191 20 30 CEEDHN CCOCCN1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132037588 812778362 /nfs/dbraw/zinc/77/83/62/812778362.db2.gz FBYIPZQJCJPZHK-GJZGRUSLSA-N 0 3 294.439 2.042 20 30 CEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)C3CC4(CC4)C3)[C@@H]2C1 ZINC001050137912 812789265 /nfs/dbraw/zinc/78/92/65/812789265.db2.gz JCWRDVCFSDPJPA-GOEBONIOSA-N 0 3 286.419 2.123 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)/C=C/c3ccco3)C2)CC1 ZINC001050413977 812820800 /nfs/dbraw/zinc/82/08/00/812820800.db2.gz XYMGTXIBSDEKME-VOTSOKGWSA-N 0 3 298.386 2.241 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)C(C)=C3CCCC3)C2)CC1 ZINC001050481241 812831830 /nfs/dbraw/zinc/83/18/30/812831830.db2.gz JPQZIVLAMGGLGP-UHFFFAOYSA-N 0 3 286.419 2.435 20 30 CEEDHN C#CC(C)(C)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172966090 815559022 /nfs/dbraw/zinc/55/90/22/815559022.db2.gz LXOOGMYXVGNYPJ-STQMWFEESA-N 0 3 291.395 2.279 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)c3cc[nH]c3C(C)C)C2)CC1 ZINC001050628943 812844829 /nfs/dbraw/zinc/84/48/29/812844829.db2.gz GCVQWCDRIZBOBR-UHFFFAOYSA-N 0 3 299.418 2.309 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C(C)(C)C(F)F)C2)CC1 ZINC001050657259 812848860 /nfs/dbraw/zinc/84/88/60/812848860.db2.gz NNZSNTKTUOKVOH-UHFFFAOYSA-N 0 3 298.377 2.225 20 30 CEEDHN C[C@@H](CCN(C)C(=O)OC(C)(C)C)NCCC#N ZINC001172944844 815556941 /nfs/dbraw/zinc/55/69/41/815556941.db2.gz AVYFAJXXJWNSTE-NSHDSACASA-N 0 3 255.362 2.135 20 30 CEEDHN C#CCCN1CCc2c(CNC(=O)[C@H]3C[C@H]3C)cccc2C1 ZINC001051278681 812891141 /nfs/dbraw/zinc/89/11/41/812891141.db2.gz ZISAXNCDYQERBN-KDOFPFPSSA-N 0 3 296.414 2.340 20 30 CEEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1ccc(C)nc1C ZINC001132569289 812894287 /nfs/dbraw/zinc/89/42/87/812894287.db2.gz NWWHKZALLJMSMI-OCCSQVGLSA-N 0 3 289.423 2.362 20 30 CEEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001132569301 812894371 /nfs/dbraw/zinc/89/43/71/812894371.db2.gz OAFTYMWUEACUEC-KGLIPLIRSA-N 0 3 285.391 2.222 20 30 CEEDHN C=C[C@@H](CC)CC(=O)NCCNCc1cccnc1C ZINC001132667610 812921070 /nfs/dbraw/zinc/92/10/70/812921070.db2.gz OSGHPXBNGVUXHK-AWEZNQCLSA-N 0 3 275.396 2.198 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2cccc(F)c2)CC1 ZINC001052159809 812937661 /nfs/dbraw/zinc/93/76/61/812937661.db2.gz FIFUTEIRMGRJQE-OAHLLOKOSA-N 0 3 274.339 2.043 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)c2cccc(F)c2)CC1 ZINC001052169878 812939606 /nfs/dbraw/zinc/93/96/06/812939606.db2.gz ADZYHZDRRIDPNX-INIZCTEOSA-N 0 3 288.366 2.433 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)c2ccc(C)o2)CC1 ZINC001052178215 812941608 /nfs/dbraw/zinc/94/16/08/812941608.db2.gz LGQUJGXWZRCQFP-CQSZACIVSA-N 0 3 274.364 2.196 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)C[C@@H]2C=CCC2)CC1 ZINC001052190244 812943440 /nfs/dbraw/zinc/94/34/40/812943440.db2.gz JJMVHBTXYQSPQO-CVEARBPZSA-N 0 3 274.408 2.337 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H]2CC=CCC2)CC1 ZINC001052197369 812945365 /nfs/dbraw/zinc/94/53/65/812945365.db2.gz MSVJUUCXLHOYRR-JKSUJKDBSA-N 0 3 274.408 2.337 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H](C)n2cccc2)CC1 ZINC001052315610 812970139 /nfs/dbraw/zinc/97/01/39/812970139.db2.gz RKXHCQRZXMISPC-JKSUJKDBSA-N 0 3 287.407 2.043 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2ccoc2Cl)CC1 ZINC001052341790 812977122 /nfs/dbraw/zinc/97/71/22/812977122.db2.gz KSNZHFIXAKTYEW-NSHDSACASA-N 0 3 280.755 2.151 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001052433476 812992293 /nfs/dbraw/zinc/99/22/93/812992293.db2.gz SJUHXZDACIHILJ-KGLIPLIRSA-N 0 3 298.377 2.416 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2[nH]ccc2C2CC2)CC1 ZINC001052438429 812992513 /nfs/dbraw/zinc/99/25/13/812992513.db2.gz SAPLFNGETCQYQE-AWEZNQCLSA-N 0 3 285.391 2.110 20 30 CEEDHN C=CCCCC(=O)NCCNCc1ccc(C)nc1C ZINC001133154909 813001287 /nfs/dbraw/zinc/00/12/87/813001287.db2.gz WQKMNXYBXCTUOE-UHFFFAOYSA-N 0 3 275.396 2.261 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)C2(F)CCCC2)CC1 ZINC001052510454 813002166 /nfs/dbraw/zinc/00/21/66/813002166.db2.gz VNLPVVSBJMJXIM-AWEZNQCLSA-N 0 3 280.387 2.263 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2c(C)cc(C)nc2C)CC1 ZINC001052575931 813008155 /nfs/dbraw/zinc/00/81/55/813008155.db2.gz FZTQGDSBQCWFQL-INIZCTEOSA-N 0 3 299.418 2.224 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2nccc3occc32)CC1 ZINC001052582193 813009089 /nfs/dbraw/zinc/00/90/89/813009089.db2.gz JUNLOOQBCOKLOL-CYBMUJFWSA-N 0 3 297.358 2.045 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)[C@H]2CCC2(C)C)CC1 ZINC001052640283 813019080 /nfs/dbraw/zinc/01/90/80/813019080.db2.gz GHSZLKVRWSFPMG-LSDHHAIUSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC001052656603 813022887 /nfs/dbraw/zinc/02/28/87/813022887.db2.gz NWJBTDFRIDMPOT-UONOGXRCSA-N 0 3 298.377 2.416 20 30 CEEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1nnccc1C#N ZINC001170678958 813027968 /nfs/dbraw/zinc/02/79/68/813027968.db2.gz KWVIIPNABOBABC-NSHDSACASA-N 0 3 290.330 2.221 20 30 CEEDHN CCOC(=O)[C@@H]1CCC[C@H](N2CCC(C#N)CC2)C1 ZINC001255356737 813078192 /nfs/dbraw/zinc/07/81/92/813078192.db2.gz KUFXMYAHAIBSST-KGLIPLIRSA-N 0 3 264.369 2.344 20 30 CEEDHN CNC(=O)C(C#N)C(=O)CSCc1ccc(Cl)cc1 ZINC000133267340 813078421 /nfs/dbraw/zinc/07/84/21/813078421.db2.gz CJPGFSNWHXFBIO-LLVKDONJSA-N 0 3 296.779 2.028 20 30 CEEDHN CC(=O)Nc1cccc([C@@H](C)NCCO[C@H](C)C#N)c1 ZINC000383373243 813099806 /nfs/dbraw/zinc/09/98/06/813099806.db2.gz OXSCQQUXKFZIPT-VXGBXAGGSA-N 0 3 275.352 2.224 20 30 CEEDHN C=C1CC(C)(C(=O)NCCNCc2ccsc2)C1 ZINC001133564017 813108245 /nfs/dbraw/zinc/10/82/45/813108245.db2.gz FQBNOAYDFOYHFP-UHFFFAOYSA-N 0 3 264.394 2.310 20 30 CEEDHN C#C[C@@](C)(CC)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000384127098 813114050 /nfs/dbraw/zinc/11/40/50/813114050.db2.gz BFPWVDHXQVTUPA-KGLIPLIRSA-N 0 3 262.309 2.020 20 30 CEEDHN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(C)n(C)n1 ZINC001133888793 813171295 /nfs/dbraw/zinc/17/12/95/813171295.db2.gz MSMRUABTDXVDKA-CHWSQXEVSA-N 0 3 292.427 2.068 20 30 CEEDHN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1nccs1 ZINC001133888554 813171542 /nfs/dbraw/zinc/17/15/42/813171542.db2.gz KGELITUFIAAHCM-NWDGAFQWSA-N 0 3 281.425 2.482 20 30 CEEDHN Cc1ncoc1CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)C ZINC001134316996 813250728 /nfs/dbraw/zinc/25/07/28/813250728.db2.gz DKXGSMFUVVHXNW-QWHCGFSZSA-N 0 3 291.395 2.015 20 30 CEEDHN C=C(Br)CNCCC(C)(C)C(=O)OC ZINC000389366808 813251591 /nfs/dbraw/zinc/25/15/91/813251591.db2.gz VOUMJRRZTHGHNN-UHFFFAOYSA-N 0 3 264.163 2.074 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H](C)CC1CCCCC1 ZINC001134677782 813309122 /nfs/dbraw/zinc/30/91/22/813309122.db2.gz IUZHQPTZUHTFKW-AWEZNQCLSA-N 0 3 264.413 2.322 20 30 CEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)/C(C)=C\C)C[C@H](C)O2 ZINC001071152203 813327796 /nfs/dbraw/zinc/32/77/96/813327796.db2.gz UBIWYAFITVYWKI-SBWSYFLUSA-N 0 3 292.423 2.221 20 30 CEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C1(C)CC1)C[C@H](C)O2 ZINC001071171939 813329280 /nfs/dbraw/zinc/32/92/80/813329280.db2.gz UXGKIQYXINDHEF-YOEHRIQHSA-N 0 3 292.423 2.054 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(F)cc2)CC[C@H]1C ZINC001071293909 813351240 /nfs/dbraw/zinc/35/12/40/813351240.db2.gz LJSJUBODUTWNIC-CZUORRHYSA-N 0 3 288.366 2.432 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)Cc2cccs2)CC[C@@H]1C ZINC001071318970 813364655 /nfs/dbraw/zinc/36/46/55/813364655.db2.gz HNPYQVGOUBVGER-STQMWFEESA-N 0 3 278.421 2.446 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1nccn1C ZINC001135231281 813393903 /nfs/dbraw/zinc/39/39/03/813393903.db2.gz YUEQBKJGSHLOAA-OLZOCXBDSA-N 0 3 292.427 2.005 20 30 CEEDHN C=CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ccn(C)n1 ZINC001135358469 813415809 /nfs/dbraw/zinc/41/58/09/813415809.db2.gz SMCPXQWXHIPOTE-ZIAGYGMSSA-N 0 3 292.427 2.149 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)nc(C)c2)CC[C@H]1C ZINC001071536066 813432694 /nfs/dbraw/zinc/43/26/94/813432694.db2.gz BLVJKFYZNSUXAA-WBVHZDCISA-N 0 3 299.418 2.304 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cccc(CC)n2)CC[C@H]1C ZINC001071573323 813438987 /nfs/dbraw/zinc/43/89/87/813438987.db2.gz DIOYYKYXEVBELN-GDBMZVCRSA-N 0 3 299.418 2.250 20 30 CEEDHN C#Cc1ccccc1CC(=O)N[C@H]1CC[C@H](C)N(CC=C)C1 ZINC001072023930 813532363 /nfs/dbraw/zinc/53/23/63/813532363.db2.gz YPJKLSZRJIWRFD-YJBOKZPZSA-N 0 3 296.414 2.366 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)c3cc[nH]c3C(C)C)C2)C1 ZINC001072906075 813687428 /nfs/dbraw/zinc/68/74/28/813687428.db2.gz JFKLDUAMIPIBPT-UHFFFAOYSA-N 0 3 299.418 2.309 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)C3CCCC3)C2)C1 ZINC001073118208 813727644 /nfs/dbraw/zinc/72/76/44/813727644.db2.gz JVEAQDWGJVXHDM-HNNXBMFYSA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(C)n2C)C1 ZINC001090922457 813890190 /nfs/dbraw/zinc/89/01/90/813890190.db2.gz MTCKOWCFAKDMEU-UHFFFAOYSA-N 0 3 295.814 2.184 20 30 CEEDHN CCC(=O)N[C@]12CCC[C@H]1CN(Cc1cccc(C#N)c1)C2 ZINC001098663011 813932683 /nfs/dbraw/zinc/93/26/83/813932683.db2.gz SXCBBZOSVDJDET-WMZOPIPTSA-N 0 3 297.402 2.439 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cncc(C)c2)C1 ZINC001098772728 813948049 /nfs/dbraw/zinc/94/80/49/813948049.db2.gz ZEURIQMSNRQGBF-RDJZCZTQSA-N 0 3 285.391 2.160 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)n2cccc2)C1 ZINC001098794748 813951703 /nfs/dbraw/zinc/95/17/03/813951703.db2.gz VKFVKWVKLDPJLV-RYRKJORJSA-N 0 3 299.418 2.043 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001098987030 813972002 /nfs/dbraw/zinc/97/20/02/813972002.db2.gz NQLYFZBSTJHPQX-MPGHIAIKSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CC1(O)CCC1 ZINC001099061446 813984293 /nfs/dbraw/zinc/98/42/93/813984293.db2.gz WCQOQKFXXDSMGQ-AWEZNQCLSA-N 0 3 294.439 2.084 20 30 CEEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)CN1CCO ZINC001099213291 813995262 /nfs/dbraw/zinc/99/52/62/813995262.db2.gz BUICTPPXWXAKDL-RHSMWYFYSA-N 0 3 296.455 2.188 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)/C(C)=C\C)CC2(CCOCC2)C1 ZINC001099574279 814014015 /nfs/dbraw/zinc/01/40/15/814014015.db2.gz CBHMFTRZTVRMKE-AGKVCYSUSA-N 0 3 292.423 2.126 20 30 CEEDHN C=C(Cc1ccccc1)C(=O)N1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001144395381 814052231 /nfs/dbraw/zinc/05/22/31/814052231.db2.gz CSJZFTBLDJWYND-IAGOWNOFSA-N 0 3 284.403 2.338 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1nccn1C ZINC001171176050 814060767 /nfs/dbraw/zinc/06/07/67/814060767.db2.gz OQFMYEANFQMRTE-LBPRGKRZSA-N 0 3 254.337 2.013 20 30 CEEDHN Cc1cc(CN[C@H](C)Cc2cccc(C#N)c2)nn1C ZINC001171181969 814065030 /nfs/dbraw/zinc/06/50/30/814065030.db2.gz RPCGAIACNKFHAQ-GFCCVEGCSA-N 0 3 268.364 2.321 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1NCCN(C)C1CC1 ZINC000754015288 814110875 /nfs/dbraw/zinc/11/08/75/814110875.db2.gz VBNBKYFURSCGQX-UHFFFAOYSA-N 0 3 257.337 2.267 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC(F)(F)[C@@H](CO)C1 ZINC001171202806 814134562 /nfs/dbraw/zinc/13/45/62/814134562.db2.gz GWMBUEDTGZPHNN-SWLSCSKDSA-N 0 3 294.345 2.439 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC(F)(F)[C@H](CO)C1 ZINC001171202807 814134801 /nfs/dbraw/zinc/13/48/01/814134801.db2.gz GWMBUEDTGZPHNN-WFASDCNBSA-N 0 3 294.345 2.439 20 30 CEEDHN CCN1CCN([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171202974 814135884 /nfs/dbraw/zinc/13/58/84/814135884.db2.gz HUQGAMKCDBJDJR-CQSZACIVSA-N 0 3 257.381 2.127 20 30 CEEDHN CC(=O)N1CCCN([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171204562 814148962 /nfs/dbraw/zinc/14/89/62/814148962.db2.gz ZCRNRZFTILTSKW-CQSZACIVSA-N 0 3 285.391 2.043 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)CCCCC)C1 ZINC001149215375 814255688 /nfs/dbraw/zinc/25/56/88/814255688.db2.gz SRMSTVZXFMCQDW-HNNXBMFYSA-N 0 3 282.428 2.350 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)/C=C\C(C)(C)C)C2)C1 ZINC001147229903 814410017 /nfs/dbraw/zinc/41/00/17/814410017.db2.gz AVLXUNKNELVBGI-FPLPWBNLSA-N 0 3 274.408 2.146 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)CCC(F)(F)F)C2)C1 ZINC001147316521 814426384 /nfs/dbraw/zinc/42/63/84/814426384.db2.gz RHDBWSJXEAWSIB-UHFFFAOYSA-N 0 3 276.302 2.049 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)CC(C)=C(C)C)C2)C1 ZINC001148064290 814521249 /nfs/dbraw/zinc/52/12/49/814521249.db2.gz AEIOUSMCFDUAGB-UHFFFAOYSA-N 0 3 262.397 2.453 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCC(C)C)C1 ZINC001111585452 814587055 /nfs/dbraw/zinc/58/70/55/814587055.db2.gz VFZUCBLVKCFSPO-RDJZCZTQSA-N 0 3 276.424 2.417 20 30 CEEDHN C#Cc1ccc(NC(=O)c2ccc(NC(=N)N)cc2)cc1F ZINC001148650444 814595278 /nfs/dbraw/zinc/59/52/78/814595278.db2.gz MKHTZOLEHCMXFC-UHFFFAOYSA-N 0 3 296.305 2.365 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC(C)(C)CC)C1 ZINC001111760819 814605183 /nfs/dbraw/zinc/60/51/83/814605183.db2.gz PMYBFWROGFHALQ-YOEHRIQHSA-N 0 3 276.424 2.417 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CC(F)F)C1 ZINC001111813026 814612632 /nfs/dbraw/zinc/61/26/32/814612632.db2.gz PJCRBFKLXFFDLA-XEZPLFJOSA-N 0 3 298.377 2.272 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](F)CC)C1 ZINC001111836406 814618811 /nfs/dbraw/zinc/61/88/11/814618811.db2.gz YVSZPMLRNDVYHI-YDHLFZDLSA-N 0 3 268.376 2.281 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](C)SC)C2)CC1 ZINC001086904862 814647371 /nfs/dbraw/zinc/64/73/71/814647371.db2.gz OBOLXADUERZCKS-KBPBESRZSA-N 0 3 294.464 2.074 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](F)C(C)C)C2)CC1 ZINC001086938561 814652761 /nfs/dbraw/zinc/65/27/61/814652761.db2.gz UIMSROXNRSJMNK-GJZGRUSLSA-N 0 3 294.414 2.317 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](F)CC)C2)CC1 ZINC001086937354 814653339 /nfs/dbraw/zinc/65/33/39/814653339.db2.gz NTTSHGDWIICNTG-KGLIPLIRSA-N 0 3 280.387 2.071 20 30 CEEDHN CN(C)Cc1ccc(-c2noc(C3(C#N)CC3)n2)cc1 ZINC001247442475 814661099 /nfs/dbraw/zinc/66/10/99/814661099.db2.gz GXKUICPVVSMEGG-UHFFFAOYSA-N 0 3 268.320 2.353 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)C3CCC3)C[C@]2(C)C1 ZINC001091776895 814672520 /nfs/dbraw/zinc/67/25/20/814672520.db2.gz PDKKKBIHUWVVOM-LESCRADOSA-N 0 3 288.435 2.226 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(CC)CCCC1 ZINC001115061204 814678259 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/nfs/dbraw/zinc/56/00/87/365560087.db2.gz KYJQLRWPCBDZCL-SECBINFHSA-N 0 3 293.164 2.493 20 30 CEEDHN C=CCC1(C(=O)N2CCN[C@H](C(C)C)C2)CCC1 ZINC000621158614 349516856 /nfs/dbraw/zinc/51/68/56/349516856.db2.gz TZTKCLVPUGGIAD-ZDUSSCGKSA-N 0 3 250.386 2.189 20 30 CEEDHN CC(C#N)C(=O)NC1(C(N)=O)CCC(C)(C)CC1 ZINC000336445307 365577691 /nfs/dbraw/zinc/57/76/91/365577691.db2.gz YLCJJIDEPHGSLW-VIFPVBQESA-N 0 3 251.330 2.137 20 30 CEEDHN C#CCOc1ccccc1CNCC1=CCCOC1 ZINC000269262262 190481746 /nfs/dbraw/zinc/48/17/46/190481746.db2.gz CIXJLOSWQCJBRN-UHFFFAOYSA-N 0 3 257.333 2.135 20 30 CEEDHN C=CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000124733615 187151347 /nfs/dbraw/zinc/15/13/47/187151347.db2.gz PIPQYIFXHTWBMP-HNNXBMFYSA-N 0 3 287.407 2.478 20 30 CEEDHN CCn1ccnc1[C@@H]1CCCCN1C(=O)C(C)C#N ZINC000336550672 365632955 /nfs/dbraw/zinc/63/29/55/365632955.db2.gz KACXXYQZRFVJJW-NEPJUHHUSA-N 0 3 260.341 2.116 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](Cc2ccccc2)C1 ZINC000124285233 365648067 /nfs/dbraw/zinc/64/80/67/365648067.db2.gz YMNMXKYOPLDLLU-NVXWUHKLSA-N 0 3 299.418 2.312 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000336581579 365673488 /nfs/dbraw/zinc/67/34/88/365673488.db2.gz MHAQLEXJWOPNBR-FZMZJTMJSA-N 0 3 286.379 2.471 20 30 CEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C1(C#N)CC2(CC2)C1 ZINC000601391430 346831531 /nfs/dbraw/zinc/83/15/31/346831531.db2.gz OUZZDSDCQJMWLI-CYBMUJFWSA-N 0 3 289.423 2.259 20 30 CEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C1(C#N)CC2(CC2)C1 ZINC000601576245 346853001 /nfs/dbraw/zinc/85/30/01/346853001.db2.gz UGCPCAHDNWVTRP-KGLIPLIRSA-N 0 3 287.407 2.156 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000337968488 214336132 /nfs/dbraw/zinc/33/61/32/214336132.db2.gz FKAQFPXNMXHRFT-WBMJQRKESA-N 0 3 285.391 2.325 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000332365679 529446909 /nfs/dbraw/zinc/44/69/09/529446909.db2.gz KNATWNPOOCUCAM-JSGCOSHPSA-N 0 3 263.385 2.202 20 30 CEEDHN CC[C@H](C(=O)N(C)[C@@H]1CCC[C@H]1C#N)N(CC)CC ZINC000601804624 346902390 /nfs/dbraw/zinc/90/23/90/346902390.db2.gz BYIIOWIEZNFBCV-BFHYXJOUSA-N 0 3 265.401 2.257 20 30 CEEDHN O=C(CN1CCC[C@H](C2CC2)C1)NC(=O)NC1CC1 ZINC000329627317 539244560 /nfs/dbraw/zinc/24/45/60/539244560.db2.gz GWZDIWUEHCMNAB-NSHDSACASA-N 0 3 265.357 2.141 20 30 CEEDHN C=CCc1cc(CN(C)C2(CO)CC2)cc(OC)c1O ZINC000668801063 539275295 /nfs/dbraw/zinc/27/52/95/539275295.db2.gz KAQKPUROTJGYPV-UHFFFAOYSA-N 0 3 277.364 2.086 20 30 CEEDHN C=CCOc1ccc(CN2CCC(CO)CC2)cc1 ZINC000127049151 365731772 /nfs/dbraw/zinc/73/17/72/365731772.db2.gz FFSDVOTVUDXFGM-UHFFFAOYSA-N 0 3 261.365 2.456 20 30 CEEDHN CC(C#N)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000044814596 362155369 /nfs/dbraw/zinc/15/53/69/362155369.db2.gz LKHHSOSUWLXNQW-LLVKDONJSA-N 0 3 277.755 2.148 20 30 CEEDHN CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC(C)C ZINC000046064688 362174073 /nfs/dbraw/zinc/17/40/73/362174073.db2.gz XGVFUVADSFYJGN-CQSZACIVSA-N 0 3 253.390 2.019 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000023220008 343381011 /nfs/dbraw/zinc/38/10/11/343381011.db2.gz WFDZLGZWHFGOMI-HIFRSBDPSA-N 0 3 265.401 2.305 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)C[C@@H]1CCCO1)C(C)C ZINC000046745030 362186178 /nfs/dbraw/zinc/18/61/78/362186178.db2.gz YCPUZNNNBAQCFL-JKSUJKDBSA-N 0 3 294.439 2.370 20 30 CEEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1C ZINC000047359190 362205919 /nfs/dbraw/zinc/20/59/19/362205919.db2.gz QHLNJAQHMUPSPM-JTQLQIEISA-N 0 3 279.303 2.095 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)c2cccc(CC#N)c2)C1 ZINC000044533610 343473897 /nfs/dbraw/zinc/47/38/97/343473897.db2.gz VMZZRCZUDJNFTR-CQSZACIVSA-N 0 3 285.391 2.214 20 30 CEEDHN CN1CCC[C@H](CNc2nc3c(cc2C#N)CCC3)C1 ZINC000044537861 343474222 /nfs/dbraw/zinc/47/42/22/343474222.db2.gz YHNBQMQDIVHWKI-GFCCVEGCSA-N 0 3 270.380 2.196 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)NCC#Cc2ccccc2)C1 ZINC000045431292 343483585 /nfs/dbraw/zinc/48/35/85/343483585.db2.gz TZNQACMRUMFTIV-MRXNPFEDSA-N 0 3 299.418 2.069 20 30 CEEDHN N#CC1(C[C@@H](O)CN2CC(Cc3ccsc3)C2)CC1 ZINC000601957061 346943206 /nfs/dbraw/zinc/94/32/06/346943206.db2.gz DFGXILXQSVEDFL-CQSZACIVSA-N 0 3 276.405 2.277 20 30 CEEDHN N#Cc1ccc(OC[C@H](O)CNCc2ccsc2)cc1 ZINC000057999742 343641811 /nfs/dbraw/zinc/64/18/11/343641811.db2.gz HYXRSCVHDXYTTO-CQSZACIVSA-N 0 3 288.372 2.149 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN(C)C1 ZINC000058451844 343643947 /nfs/dbraw/zinc/64/39/47/343643947.db2.gz DLJTXMROMCXQKC-ZDUSSCGKSA-N 0 3 272.352 2.082 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc(COC)c2)CC1 ZINC000057155886 343625322 /nfs/dbraw/zinc/62/53/22/343625322.db2.gz JBLWUHYGJIYECU-UHFFFAOYSA-N 0 3 286.375 2.117 20 30 CEEDHN CCCCN(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000061757668 343669053 /nfs/dbraw/zinc/66/90/53/343669053.db2.gz ROFFFHGNXTVGAP-UHFFFAOYSA-N 0 3 265.401 2.403 20 30 CEEDHN CN1CC[C@H](NCC2(C#N)CC2)[C@H]1c1ccccc1 ZINC000352114845 529806349 /nfs/dbraw/zinc/80/63/49/529806349.db2.gz DLGDAUDWCKWORP-LSDHHAIUSA-N 0 3 255.365 2.325 20 30 CEEDHN N#Cc1c(F)cccc1CN[C@H]1CCc2n[nH]cc2C1 ZINC000602002844 346955277 /nfs/dbraw/zinc/95/52/77/346955277.db2.gz BMUVXHDQRZXYON-LBPRGKRZSA-N 0 3 270.311 2.068 20 30 CEEDHN C[C@@H](Cc1cnn(C)c1)NCc1cccc(F)c1C#N ZINC000602026500 346963358 /nfs/dbraw/zinc/96/33/58/346963358.db2.gz XFSVKWSYVMRSKI-NSHDSACASA-N 0 3 272.327 2.152 20 30 CEEDHN COCCN1CCC[C@@H]1CNc1cccc(F)c1C#N ZINC000068911118 343776846 /nfs/dbraw/zinc/77/68/46/343776846.db2.gz SMGJUQLLFULNQW-GFCCVEGCSA-N 0 3 277.343 2.220 20 30 CEEDHN CC[C@@](C)(C#N)NC(=O)c1cccc(CN(C)C)c1 ZINC000073225374 343824863 /nfs/dbraw/zinc/82/48/63/343824863.db2.gz JILQNTSBCRRHOL-HNNXBMFYSA-N 0 3 259.353 2.170 20 30 CEEDHN CN(CC(=O)NCC1(C#N)CCCC1)CC(C)(C)C ZINC000602170965 346986692 /nfs/dbraw/zinc/98/66/92/346986692.db2.gz HTECMKOHAAGOHI-UHFFFAOYSA-N 0 3 265.401 2.164 20 30 CEEDHN CC(C)(C#N)CNC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000602286184 347004675 /nfs/dbraw/zinc/00/46/75/347004675.db2.gz GTKRAVXMLHHGOP-CQSZACIVSA-N 0 3 292.427 2.242 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@@H](C)[C@H](C)C1 ZINC000076111340 343880810 /nfs/dbraw/zinc/88/08/10/343880810.db2.gz NPYCWLJFFRMILF-MCIONIFRSA-N 0 3 250.386 2.163 20 30 CEEDHN C[C@H]1CCCN(CCNc2ncc([N+](=O)[O-])cc2C#N)C1 ZINC000076776254 343898119 /nfs/dbraw/zinc/89/81/19/343898119.db2.gz BWTVYMDKCXKIFY-NSHDSACASA-N 0 3 289.339 2.005 20 30 CEEDHN CC(C)C[C@H](CNC(=O)C#Cc1ccccc1)N(C)C ZINC000081724752 344062830 /nfs/dbraw/zinc/06/28/30/344062830.db2.gz PSOBORWOLBPRES-MRXNPFEDSA-N 0 3 272.392 2.131 20 30 CEEDHN N#Cc1csc(C(=O)N2CCC[C@H](N3CCCC3)C2)c1 ZINC000084181732 344081734 /nfs/dbraw/zinc/08/17/34/344081734.db2.gz BPLMALXEKCYHJF-ZDUSSCGKSA-N 0 3 289.404 2.320 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)o1 ZINC000092072200 344176476 /nfs/dbraw/zinc/17/64/76/344176476.db2.gz RDGBEZPQWFZDTP-NSHDSACASA-N 0 3 256.309 2.254 20 30 CEEDHN CC(C)(CCC#N)CN(CCO)Cc1cccnc1 ZINC000093086529 344214140 /nfs/dbraw/zinc/21/41/40/344214140.db2.gz DFNJRBDPSJRIIM-UHFFFAOYSA-N 0 3 261.369 2.206 20 30 CEEDHN Cn1cc(C[C@@H]2CCN(Cc3cc(C#N)cs3)C2)cn1 ZINC000093870548 344231636 /nfs/dbraw/zinc/23/16/36/344231636.db2.gz BHSMRBMUVMQTMJ-LBPRGKRZSA-N 0 3 286.404 2.418 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CCC2CC2)CC1 ZINC000115372876 344283013 /nfs/dbraw/zinc/28/30/13/344283013.db2.gz XKYLWOROXDBJBD-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CC1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000125943837 344320986 /nfs/dbraw/zinc/32/09/86/344320986.db2.gz IDBLTOCMCUFBEG-OAHLLOKOSA-N 0 3 277.412 2.078 20 30 CEEDHN C=CCCOCC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000138725140 344390905 /nfs/dbraw/zinc/39/09/05/344390905.db2.gz NMKHBRYYBAEAKR-UHFFFAOYSA-N 0 3 294.395 2.071 20 30 CEEDHN C=C(C)COCCNC[C@@H](O)COc1ccc(Cl)cc1 ZINC000163838533 344471413 /nfs/dbraw/zinc/47/14/13/344471413.db2.gz GPHWILBCKSODGU-CQSZACIVSA-N 0 3 299.798 2.262 20 30 CEEDHN C=C(C)CCNCc1ccc(S(C)(=O)=O)cc1 ZINC000164423387 344472246 /nfs/dbraw/zinc/47/22/46/344472246.db2.gz KVJBEJYZBZQMLZ-UHFFFAOYSA-N 0 3 253.367 2.146 20 30 CEEDHN CCN(CCC(=O)OC)Cc1ccc(C#N)cc1C ZINC000166225238 344476077 /nfs/dbraw/zinc/47/60/77/344476077.db2.gz NZSVSFHPVDASKJ-UHFFFAOYSA-N 0 3 260.337 2.252 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC[C@@H](CCO)C1 ZINC000221984630 344540146 /nfs/dbraw/zinc/54/01/46/344540146.db2.gz RANYQOHOASWLSL-AWEZNQCLSA-N 0 3 274.364 2.031 20 30 CEEDHN Cn1cc(CNCC2(O)CCC(C)(C)CC2)cc1C#N ZINC000232315382 344577217 /nfs/dbraw/zinc/57/72/17/344577217.db2.gz PYYKURLHWPWEHC-UHFFFAOYSA-N 0 3 275.396 2.318 20 30 CEEDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1cccc(C#N)n1 ZINC000602507468 347061017 /nfs/dbraw/zinc/06/10/17/347061017.db2.gz JRSTZZLGEMUXKI-GDBMZVCRSA-N 0 3 287.363 2.165 20 30 CEEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000289664166 344682336 /nfs/dbraw/zinc/68/23/36/344682336.db2.gz GVFDDAVJRIQHLX-YPMHNXCESA-N 0 3 289.379 2.168 20 30 CEEDHN C=CCNC(=O)CN(CCCC)Cc1ccccc1O ZINC000282500347 344676191 /nfs/dbraw/zinc/67/61/91/344676191.db2.gz QVVBJARWDOWYSM-UHFFFAOYSA-N 0 3 276.380 2.297 20 30 CEEDHN N#Cc1cc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)ccn1 ZINC000253094456 344642717 /nfs/dbraw/zinc/64/27/17/344642717.db2.gz NPJWBGUVQQAKHC-ZACQAIPSSA-N 0 3 285.391 2.469 20 30 CEEDHN N#Cc1cccc(CNC[C@H](CO)Cc2ccc(F)cc2)n1 ZINC000602532588 347068918 /nfs/dbraw/zinc/06/89/18/347068918.db2.gz ZQQXTXHYWVBAMR-CQSZACIVSA-N 0 3 299.349 2.033 20 30 CEEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CNC1CC1 ZINC000602528827 347067547 /nfs/dbraw/zinc/06/75/47/347067547.db2.gz LGDQANSPOBVUPG-UHFFFAOYSA-N 0 3 285.391 2.295 20 30 CEEDHN CCC(F)(F)C(C)(C)CNC(=O)[C@@H](N)CCCC#N ZINC000602543543 347070956 /nfs/dbraw/zinc/07/09/56/347070956.db2.gz DCZAMLZRQMHBML-JTQLQIEISA-N 0 3 275.343 2.195 20 30 CEEDHN COCCC1(CNCc2cccc(C#N)n2)CCC1 ZINC000602564670 347079911 /nfs/dbraw/zinc/07/99/11/347079911.db2.gz BNUZXMQCPRPIKP-UHFFFAOYSA-N 0 3 259.353 2.250 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398151569 344853974 /nfs/dbraw/zinc/85/39/74/344853974.db2.gz GWCXAEAJTVDCHZ-NUEKZKHPSA-N 0 3 285.391 2.315 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)CCCCCC#N)[C@@H]2C1 ZINC000588672282 345051215 /nfs/dbraw/zinc/05/12/15/345051215.db2.gz AZTJDCOPMDYTOX-ZIAGYGMSSA-N 0 3 263.385 2.013 20 30 CEEDHN CN(CCCNC(=O)CC1(C#N)CC1)Cc1ccccc1 ZINC000590133077 345116468 /nfs/dbraw/zinc/11/64/68/345116468.db2.gz NLLVQVVHECRCMR-UHFFFAOYSA-N 0 3 285.391 2.319 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)CC2(C#N)CC2)c1 ZINC000590152988 345117869 /nfs/dbraw/zinc/11/78/69/345117869.db2.gz FILYMXPZPZEZMP-UHFFFAOYSA-N 0 3 257.337 2.381 20 30 CEEDHN N#CCCOCCN1CCC[C@H]1c1ccc(O)cc1 ZINC000590165312 345119217 /nfs/dbraw/zinc/11/92/17/345119217.db2.gz FVSNNVMOVGQTSL-HNNXBMFYSA-N 0 3 260.337 2.459 20 30 CEEDHN CO[C@H]1C[C@H](N(C)Cc2ccnc(C#N)c2)C12CCC2 ZINC000590761981 345176600 /nfs/dbraw/zinc/17/66/00/345176600.db2.gz TVKCHYIVSYAJEX-GJZGRUSLSA-N 0 3 271.364 2.343 20 30 CEEDHN CN1CC[C@@H](NC(=O)CC2(C#N)CC2)[C@H]1c1ccccc1 ZINC000590318159 345127667 /nfs/dbraw/zinc/12/76/67/345127667.db2.gz VVSVQUUZUMVLRZ-GDBMZVCRSA-N 0 3 283.375 2.242 20 30 CEEDHN N#CCC1(CNC(=O)Nc2cccc3c2CCNC3)CC1 ZINC000591310325 345239320 /nfs/dbraw/zinc/23/93/20/345239320.db2.gz JAPXFEMVHMECJZ-UHFFFAOYSA-N 0 3 284.363 2.148 20 30 CEEDHN CC[C@@](C)(C#N)NC(=O)C1CN(C2CCCCC2)C1 ZINC000590904402 345197309 /nfs/dbraw/zinc/19/73/09/345197309.db2.gz XROOGGLEBPOYOG-HNNXBMFYSA-N 0 3 263.385 2.059 20 30 CEEDHN Cc1ccc(CCCNC(=O)[C@H](N)CCCC#N)c(C)c1 ZINC000591590856 345267338 /nfs/dbraw/zinc/26/73/38/345267338.db2.gz SPPCSQXPJCGJKQ-MRXNPFEDSA-N 0 3 287.407 2.373 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000335199433 282393517 /nfs/dbraw/zinc/39/35/17/282393517.db2.gz AUQQUMHIVXIQKG-KRWDZBQOSA-N 0 3 289.423 2.261 20 30 CEEDHN N#CC[C@]1(O)CCN([C@H]2CCCc3ccccc32)C1 ZINC000592151406 345331168 /nfs/dbraw/zinc/33/11/68/345331168.db2.gz OMPXDRNSYQRVQK-HOTGVXAUSA-N 0 3 256.349 2.414 20 30 CEEDHN CC(=O)NCCN(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000592154482 345331923 /nfs/dbraw/zinc/33/19/23/345331923.db2.gz XVXLAFDUZGXWJA-UHFFFAOYSA-N 0 3 273.380 2.056 20 30 CEEDHN C[C@@]1(CO)CCC[C@@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593025429 345425081 /nfs/dbraw/zinc/42/50/81/345425081.db2.gz TXFWEKMVONYJHX-GJZGRUSLSA-N 0 3 289.335 2.107 20 30 CEEDHN COC[C@@H]1C[C@@H](O)CN1Cc1ccccc1C(C)(C)C#N ZINC000593061920 345431381 /nfs/dbraw/zinc/43/13/81/345431381.db2.gz VGZIQLQTBIAGTQ-LSDHHAIUSA-N 0 3 288.391 2.069 20 30 CEEDHN CCCN(CC(=O)OC(C)(C)C)C(=O)C(C#N)CC ZINC000593601659 345511411 /nfs/dbraw/zinc/51/14/11/345511411.db2.gz LDSQBERTKFDVAU-LLVKDONJSA-N 0 3 268.357 2.116 20 30 CEEDHN CCC(C#N)C(=O)N=c1cc(CC2CCCCC2)[nH][nH]1 ZINC000593415398 345480267 /nfs/dbraw/zinc/48/02/67/345480267.db2.gz XSHUFFRYKCVCJQ-GFCCVEGCSA-N 0 3 274.368 2.443 20 30 CEEDHN CC[C@@H](C#N)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000593426121 345483079 /nfs/dbraw/zinc/48/30/79/345483079.db2.gz AVKDAZXWNAIXLZ-AWEZNQCLSA-N 0 3 291.370 2.266 20 30 CEEDHN N#CCCCOc1cccc(CN[C@@H](CO)CCF)c1 ZINC000593690398 345521366 /nfs/dbraw/zinc/52/13/66/345521366.db2.gz XZMVTMJLROHHTR-CQSZACIVSA-N 0 3 280.343 2.179 20 30 CEEDHN CC[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1F ZINC000593917011 345551552 /nfs/dbraw/zinc/55/15/52/345551552.db2.gz UDJDUGYKECSBJZ-KBPBESRZSA-N 0 3 277.343 2.414 20 30 CEEDHN N#Cc1cc(CN2CC[C@H](c3ccncc3)C2)ccn1 ZINC000593987953 345561062 /nfs/dbraw/zinc/56/10/62/345561062.db2.gz YYUDERVHQNWYGV-HNNXBMFYSA-N 0 3 264.332 2.338 20 30 CEEDHN C[C@@H]1COCCN1C1CCN(CCC(C)(C)C#N)CC1 ZINC000593988187 345561166 /nfs/dbraw/zinc/56/11/66/345561166.db2.gz HZOIYOZOJDLRAX-CQSZACIVSA-N 0 3 279.428 2.111 20 30 CEEDHN CCC(C)(C)N1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000594020570 345567666 /nfs/dbraw/zinc/56/76/66/345567666.db2.gz IZDXMLIORJTPNO-AWEZNQCLSA-N 0 3 262.401 2.236 20 30 CEEDHN CCC[C@]1(C(=O)OCC)CCCN1C(=O)C(C#N)CC ZINC000593656604 345517262 /nfs/dbraw/zinc/51/72/62/345517262.db2.gz HABDZIQIIBJGFY-SWLSCSKDSA-N 0 3 280.368 2.261 20 30 CEEDHN C[C@H](CNc1ccccc1)NC(=O)[C@H](N)CCCCC#N ZINC000594467834 345636536 /nfs/dbraw/zinc/63/65/36/345636536.db2.gz HLNNDQYFFGLNHF-UKRRQHHQSA-N 0 3 288.395 2.014 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594197798 345597037 /nfs/dbraw/zinc/59/70/37/345597037.db2.gz PVAWAEFUGFRJKU-HUUCEWRRSA-N 0 3 287.363 2.206 20 30 CEEDHN CC(C)C(=O)NCCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594493018 345637226 /nfs/dbraw/zinc/63/72/26/345637226.db2.gz CUTBROLDXVYMJK-UHFFFAOYSA-N 0 3 287.407 2.350 20 30 CEEDHN CCN1CCC(N(C)C(=O)CCCCC#N)CC1 ZINC000594267483 345606872 /nfs/dbraw/zinc/60/68/72/345606872.db2.gz GMKNEQZWJFCTJE-UHFFFAOYSA-N 0 3 251.374 2.013 20 30 CEEDHN N#CCCCCC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000594286089 345608394 /nfs/dbraw/zinc/60/83/94/345608394.db2.gz LGUSHJMLRWJVAY-AWEZNQCLSA-N 0 3 263.385 2.157 20 30 CEEDHN C[C@@H](NC(=O)CN1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000594303846 345610318 /nfs/dbraw/zinc/61/03/18/345610318.db2.gz JYDQJDPXABGDAP-CHWSQXEVSA-N 0 3 271.364 2.077 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCCc1ccccc1 ZINC000594425040 345625972 /nfs/dbraw/zinc/62/59/72/345625972.db2.gz JHYIRYQNOOPFMM-OAHLLOKOSA-N 0 3 273.380 2.147 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccccc1Cl ZINC000594427018 345626486 /nfs/dbraw/zinc/62/64/86/345626486.db2.gz SFDBMZKBZLKVQD-CYBMUJFWSA-N 0 3 279.771 2.367 20 30 CEEDHN CC[C@H]1CCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594428153 345627184 /nfs/dbraw/zinc/62/71/84/345627184.db2.gz ZTFKLGPZBCIESS-STQMWFEESA-N 0 3 251.374 2.189 20 30 CEEDHN C[C@@H](C1CC1)N(C(=O)[C@@H](N)CCCCC#N)C1CC1 ZINC000594429618 345627628 /nfs/dbraw/zinc/62/76/28/345627628.db2.gz UWBPUWWDIAYXIZ-FZMZJTMJSA-N 0 3 263.385 2.187 20 30 CEEDHN CCN(CCc1ccccc1)C(=O)[C@@H](N)CCCCC#N ZINC000594429084 345627745 /nfs/dbraw/zinc/62/77/45/345627745.db2.gz QPRNAWVQSQJZPR-INIZCTEOSA-N 0 3 287.407 2.489 20 30 CEEDHN CC(C)(C)CCCNC(=O)[C@H](N)CCCCC#N ZINC000594434206 345629441 /nfs/dbraw/zinc/62/94/41/345629441.db2.gz XUAYHDXANIBJLQ-GFCCVEGCSA-N 0 3 253.390 2.340 20 30 CEEDHN Cc1ccc(NC(=O)[C@H](N)CCCCC#N)c(O)c1 ZINC000594436520 345630138 /nfs/dbraw/zinc/63/01/38/345630138.db2.gz NRACDTFXNGMEBO-LLVKDONJSA-N 0 3 261.325 2.050 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccncc1 ZINC000594437596 345630384 /nfs/dbraw/zinc/63/03/84/345630384.db2.gz CYBNKOWVIZUKRM-GJZGRUSLSA-N 0 3 286.379 2.156 20 30 CEEDHN CC[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccncc1 ZINC000594438162 345630487 /nfs/dbraw/zinc/63/04/87/345630487.db2.gz MTDOIQBXMTWOIY-KGLIPLIRSA-N 0 3 274.368 2.060 20 30 CEEDHN Cc1cccc(F)c1NC(=O)[C@H](N)CCCCC#N ZINC000594437895 345630822 /nfs/dbraw/zinc/63/08/22/345630822.db2.gz QBKORRDPLGQBTE-GFCCVEGCSA-N 0 3 263.316 2.484 20 30 CEEDHN CC1(CNC(=O)[C@@H](N)CCCCC#N)Cc2ccccc2C1 ZINC000594438758 345630835 /nfs/dbraw/zinc/63/08/35/345630835.db2.gz WWGFMTZVWFMQMD-INIZCTEOSA-N 0 3 299.418 2.319 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCCNc1ccccc1 ZINC000594437045 345630866 /nfs/dbraw/zinc/63/08/66/345630866.db2.gz HSZLLBCLONNENA-HNNXBMFYSA-N 0 3 288.395 2.016 20 30 CEEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCCC#N)[C@@H]2CCCC[C@H]21 ZINC000594439027 345631218 /nfs/dbraw/zinc/63/12/18/345631218.db2.gz ZECCYUPRJGYJPL-LXTVHRRPSA-N 0 3 277.412 2.435 20 30 CEEDHN CCC[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccn1 ZINC000594439231 345631377 /nfs/dbraw/zinc/63/13/77/345631377.db2.gz UJFNXVBOVXKIPX-DZGCQCFKSA-N 0 3 288.395 2.450 20 30 CEEDHN CC[C@@H]1CC[C@H](C)N1C(=O)[C@H](N)CCCCC#N ZINC000594443877 345632168 /nfs/dbraw/zinc/63/21/68/345632168.db2.gz WIQKYYLBFWJEKU-YNEHKIRRSA-N 0 3 251.374 2.187 20 30 CEEDHN Cc1cnc([C@@H](C)CNC(=O)[C@H](N)CCCCC#N)s1 ZINC000594447551 345632633 /nfs/dbraw/zinc/63/26/33/345632633.db2.gz YOXHDOXTXBGWEL-CMPLNLGQSA-N 0 3 294.424 2.083 20 30 CEEDHN Cc1ccc(CCNC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594448041 345633146 /nfs/dbraw/zinc/63/31/46/345633146.db2.gz YZCCTBIZKSUUOD-OAHLLOKOSA-N 0 3 273.380 2.065 20 30 CEEDHN CC1(C)CN[C@H]1C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594450131 345633867 /nfs/dbraw/zinc/63/38/67/345633867.db2.gz GUGWAEISKUXVON-AWEZNQCLSA-N 0 3 283.375 2.052 20 30 CEEDHN C[C@@H]1CC2(CCC2)CN1C(=O)[C@@H](N)CCCCC#N ZINC000594450338 345634169 /nfs/dbraw/zinc/63/41/69/345634169.db2.gz YTKAGTQGHUJCKL-OLZOCXBDSA-N 0 3 263.385 2.189 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCCN3CCCC[C@@H]23)o1 ZINC000594518539 345642924 /nfs/dbraw/zinc/64/29/24/345642924.db2.gz HMSYOPHUMQNIJQ-CABCVRRESA-N 0 3 259.353 2.258 20 30 CEEDHN N#Cc1csc(CN[C@H]2CCCN3CCCC[C@H]23)n1 ZINC000594523303 345644007 /nfs/dbraw/zinc/64/40/07/345644007.db2.gz PLANOUNNHBGNFG-QWHCGFSZSA-N 0 3 276.409 2.121 20 30 CEEDHN N#Cc1ccccc1NC(=O)CCN1CCC(C#N)CC1 ZINC000057879131 362599401 /nfs/dbraw/zinc/59/94/01/362599401.db2.gz WGKYXKJOIMRRTD-UHFFFAOYSA-N 0 3 282.347 2.122 20 30 CEEDHN N#Cc1nc(N[C@H]2CCCN3CCCC[C@H]23)ccc1Cl ZINC000594596638 345655562 /nfs/dbraw/zinc/65/55/62/345655562.db2.gz AXEJTRIOPMERMK-GXTWGEPZSA-N 0 3 290.798 2.457 20 30 CEEDHN C[C@H]1C[C@H](NC2CCC(C)(C#N)CC2)c2ncnn21 ZINC000595074100 345740336 /nfs/dbraw/zinc/74/03/36/345740336.db2.gz TYVJMTJUWGLFJG-ATWGWHJKSA-N 0 3 259.357 2.346 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CCCC#N ZINC000595250887 345748189 /nfs/dbraw/zinc/74/81/89/345748189.db2.gz RBRNIQUCFCJQOG-RDBSUJKOSA-N 0 3 263.385 2.259 20 30 CEEDHN CCC(C)(C)[C@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000595257113 345749794 /nfs/dbraw/zinc/74/97/94/345749794.db2.gz QIHPVULORIUYHC-NWDGAFQWSA-N 0 3 253.390 2.339 20 30 CEEDHN C=CCSCCNCc1c(C(F)(F)F)cnn1C ZINC000594920070 345701974 /nfs/dbraw/zinc/70/19/74/345701974.db2.gz MTJOSYREHUTCDB-UHFFFAOYSA-N 0 3 279.331 2.448 20 30 CEEDHN COCCOC[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594929583 345706117 /nfs/dbraw/zinc/70/61/17/345706117.db2.gz KRIRIXWSLUIHNF-AWEZNQCLSA-N 0 3 288.391 2.383 20 30 CEEDHN N#CC1(c2ccc(CN[C@@H]3C=C[C@H](CO)C3)cc2)CC1 ZINC000594930253 345706148 /nfs/dbraw/zinc/70/61/48/345706148.db2.gz DKBHKCLVZLSKDA-GOEBONIOSA-N 0 3 268.360 2.268 20 30 CEEDHN CCC(=O)N[C@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595297625 345756931 /nfs/dbraw/zinc/75/69/31/345756931.db2.gz HYXYCKLAGZXJSY-INIZCTEOSA-N 0 3 285.391 2.091 20 30 CEEDHN CC(C)(CC#N)CNCc1ccnn1-c1ccncc1 ZINC000594943562 345712087 /nfs/dbraw/zinc/71/20/87/345712087.db2.gz CWHHOLXKAAKMOG-UHFFFAOYSA-N 0 3 269.352 2.297 20 30 CEEDHN CC(C)NC(=O)[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594946854 345713181 /nfs/dbraw/zinc/71/31/81/345713181.db2.gz STPFIYVJDRXQJY-CYBMUJFWSA-N 0 3 285.391 2.244 20 30 CEEDHN CC1(C)[C@H](O)C[C@H]1NCc1ccc(C2(C#N)CC2)cc1 ZINC000594947139 345713294 /nfs/dbraw/zinc/71/32/94/345713294.db2.gz SULIGHHEADSAPI-HUUCEWRRSA-N 0 3 270.376 2.491 20 30 CEEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1F)[C@@H]1CCOC1 ZINC000595060619 345737513 /nfs/dbraw/zinc/73/75/13/345737513.db2.gz MZJLPEQLOHLSIQ-AXAPSJFSSA-N 0 3 292.354 2.399 20 30 CEEDHN CCCCN(C)CCNC(=O)NCC1(C#N)CCCCC1 ZINC000595547811 345809287 /nfs/dbraw/zinc/80/92/87/345809287.db2.gz SKNWUBQCAUPTGZ-UHFFFAOYSA-N 0 3 294.443 2.492 20 30 CEEDHN C=CCCCN[C@](C)(CC(=O)OC)c1ccncc1 ZINC000595486578 345793689 /nfs/dbraw/zinc/79/36/89/345793689.db2.gz NTYMDAAZXAWFNI-OAHLLOKOSA-N 0 3 262.353 2.416 20 30 CEEDHN CC(C)[C@@H](NCCc1ccc(C#N)cc1)c1nncn1C ZINC000595485249 345793887 /nfs/dbraw/zinc/79/38/87/345793887.db2.gz SUYVSWKRARLTDE-OAHLLOKOSA-N 0 3 283.379 2.216 20 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/nfs/dbraw/zinc/89/55/57/345895557.db2.gz XMMFYELABDVAFG-BZUAXINKSA-N 0 3 274.412 2.236 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC[C@](O)(C2CC2)C1 ZINC000595749774 345865978 /nfs/dbraw/zinc/86/59/78/345865978.db2.gz HNZFOIVYVKPSLX-QGZVFWFLSA-N 0 3 286.375 2.304 20 30 CEEDHN N#CCSCCCN1CCC2(CCCC2=O)CC1 ZINC000595808796 345880955 /nfs/dbraw/zinc/88/09/55/345880955.db2.gz WOERWPBACFRJKU-UHFFFAOYSA-N 0 3 266.410 2.468 20 30 CEEDHN C[C@@H](NCc1cccc(C#N)n1)[C@@H](O)Cc1ccccc1 ZINC000602581692 347088086 /nfs/dbraw/zinc/08/80/86/347088086.db2.gz JYTKHCIEJXNSTO-DYVFJYSZSA-N 0 3 281.359 2.035 20 30 CEEDHN N#CCC[C@@H](C#N)CNC[C@H]1CCN1Cc1ccccc1 ZINC000596052142 345928302 /nfs/dbraw/zinc/92/83/02/345928302.db2.gz UFQUFDAWPIOIMX-DLBZAZTESA-N 0 3 282.391 2.294 20 30 CEEDHN CC(C)NC(=O)[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000595849980 345898071 /nfs/dbraw/zinc/89/80/71/345898071.db2.gz JWCFPIUMTRSJMT-KRWDZBQOSA-N 0 3 299.418 2.489 20 30 CEEDHN COc1ccc(CN2C[C@@H](C)[C@@](C)(CO)C2)cc1C#N ZINC000595869448 345902118 /nfs/dbraw/zinc/90/21/18/345902118.db2.gz DDKCTDDVQHPJCY-MLGOLLRUSA-N 0 3 274.364 2.017 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)C[C@@H]1CC1(C)C ZINC000595911977 345911957 /nfs/dbraw/zinc/91/19/57/345911957.db2.gz IAHORDKSRFZCIK-WFASDCNBSA-N 0 3 265.401 2.019 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)C[C@H]1CC1(C)C ZINC000595911972 345912255 /nfs/dbraw/zinc/91/22/55/345912255.db2.gz IAHORDKSRFZCIK-DOMZBBRYSA-N 0 3 265.401 2.019 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC(C2CCC2)CC1 ZINC000595938569 345915589 /nfs/dbraw/zinc/91/55/89/345915589.db2.gz OOYMSZQQBUYRPD-OAHLLOKOSA-N 0 3 277.412 2.436 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1nc2ncccc2cc1C#N ZINC000596162518 345956811 /nfs/dbraw/zinc/95/68/11/345956811.db2.gz LZOXSDDEWRPXSB-ABAIWWIYSA-N 0 3 293.374 2.396 20 30 CEEDHN CC[NH+]1CCC(CN=c2[n-]c(C#N)c(Cl)s2)CC1 ZINC000596085427 345936099 /nfs/dbraw/zinc/93/60/99/345936099.db2.gz FDWDXOCJFYPKRO-UHFFFAOYSA-N 0 3 284.816 2.234 20 30 CEEDHN CN(C)[C@@H](CNc1c(C#N)cnn1C)c1ccc(F)cc1 ZINC000596086632 345936531 /nfs/dbraw/zinc/93/65/31/345936531.db2.gz UZQNUXLFBBARJR-AWEZNQCLSA-N 0 3 287.342 2.146 20 30 CEEDHN N#Cc1nc(N2CC[C@@H](N3CCCC3)C2)sc1Cl ZINC000596104619 345940584 /nfs/dbraw/zinc/94/05/84/345940584.db2.gz JAYUIPQOVIJBCJ-SECBINFHSA-N 0 3 282.800 2.343 20 30 CEEDHN Cc1ccc(C#N)nc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000596204287 345968849 /nfs/dbraw/zinc/96/88/49/345968849.db2.gz BVLSGBRZIXANPL-CQSZACIVSA-N 0 3 258.369 2.038 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNc1nc2ccccn2c1C#N ZINC000596306481 345995223 /nfs/dbraw/zinc/99/52/23/345995223.db2.gz DSSPXANDUUKOMV-GFCCVEGCSA-N 0 3 283.379 2.491 20 30 CEEDHN Cc1cc(N(C)C[C@H]2CCCN2C)cc(C#N)c1[N+](=O)[O-] ZINC000596280064 345990304 /nfs/dbraw/zinc/99/03/04/345990304.db2.gz ZJVKZEZCCNMVHC-CYBMUJFWSA-N 0 3 288.351 2.305 20 30 CEEDHN CN1C[C@@H]2CCCN(c3nc(C#N)c(Cl)s3)[C@@H]2C1 ZINC000596282267 345990728 /nfs/dbraw/zinc/99/07/28/345990728.db2.gz SUCJMGXKGHGFTR-WCBMZHEXSA-N 0 3 282.800 2.199 20 30 CEEDHN CN(CC1CN(C)C1)c1c(C#N)cnc2ccccc21 ZINC000596455032 346027970 /nfs/dbraw/zinc/02/79/70/346027970.db2.gz YRLNXTDCNQLPCA-UHFFFAOYSA-N 0 3 266.348 2.104 20 30 CEEDHN C[C@H](NCCc1ccc(C#N)cc1)c1cnccc1N ZINC000596652427 346072330 /nfs/dbraw/zinc/07/23/30/346072330.db2.gz UHDSGOFYAKWFDO-LBPRGKRZSA-N 0 3 266.348 2.259 20 30 CEEDHN C[C@@H](CC#N)C(=O)NCCCN1CCc2ccccc2C1 ZINC000596775454 346089070 /nfs/dbraw/zinc/08/90/70/346089070.db2.gz BPGIWKSBJXFHPW-AWEZNQCLSA-N 0 3 285.391 2.101 20 30 CEEDHN N#Cc1c(F)cc(C(=O)NCCN2CCCCC2)cc1F ZINC000596804321 346092271 /nfs/dbraw/zinc/09/22/71/346092271.db2.gz CJNLHQJOEYZMNG-UHFFFAOYSA-N 0 3 293.317 2.052 20 30 CEEDHN CCCN(CCN(C)C)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597159533 346138899 /nfs/dbraw/zinc/13/88/99/346138899.db2.gz NKCCFNKARKOJJU-UHFFFAOYSA-N 0 3 295.333 2.250 20 30 CEEDHN C=CCOCCNCc1ccc(C(=O)OC)c(Cl)c1 ZINC000597080323 346124798 /nfs/dbraw/zinc/12/47/98/346124798.db2.gz FRSQXRUOXBGIGW-UHFFFAOYSA-N 0 3 283.755 2.419 20 30 CEEDHN CC[C@H](C)CCNCc1cnc2c(C#N)cnn2c1 ZINC000597184149 346143387 /nfs/dbraw/zinc/14/33/87/346143387.db2.gz HGJIZPUBQNJWNA-NSHDSACASA-N 0 3 257.341 2.127 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(C)c(C(=O)OC)o1 ZINC000597119668 346130836 /nfs/dbraw/zinc/13/08/36/346130836.db2.gz TUXIGOMIZMYWMD-GXTWGEPZSA-N 0 3 293.363 2.445 20 30 CEEDHN CN(CCN1CCCC1)C(=O)CC1(C#N)CCCCC1 ZINC000597135589 346133331 /nfs/dbraw/zinc/13/33/31/346133331.db2.gz OMJHBXJJWZNFEO-UHFFFAOYSA-N 0 3 277.412 2.405 20 30 CEEDHN Cc1cccc(CN(CCN(C)C)C(=O)[C@@H](C)CC#N)c1 ZINC000597134335 346133413 /nfs/dbraw/zinc/13/34/13/346133413.db2.gz DQZHQWUYWUAXMC-HNNXBMFYSA-N 0 3 287.407 2.435 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CC1(C#N)CCCCC1 ZINC000597378541 346178883 /nfs/dbraw/zinc/17/88/83/346178883.db2.gz QYMKCIPTFFDYEH-HIFRSBDPSA-N 0 3 289.423 2.449 20 30 CEEDHN C=CCOc1ccccc1CN[C@H]1C[C@H](C(=O)OC)C1 ZINC000597242251 346159914 /nfs/dbraw/zinc/15/99/14/346159914.db2.gz DLXNOWKJRDGLQN-HDJSIYSDSA-N 0 3 275.348 2.293 20 30 CEEDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NCc1cc(C#N)cs1 ZINC000597247465 346161642 /nfs/dbraw/zinc/16/16/42/346161642.db2.gz LMRUAZIEYFTFCH-UVLXDEKHSA-N 0 3 290.388 2.297 20 30 CEEDHN CC[C@@H]1CN(C)CCCN1C(=O)CCCCCC#N ZINC000597603426 346206611 /nfs/dbraw/zinc/20/66/11/346206611.db2.gz BQRWCIDJIVEZQC-CQSZACIVSA-N 0 3 265.401 2.403 20 30 CEEDHN C[C@H](CC#N)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000597770069 346228392 /nfs/dbraw/zinc/22/83/92/346228392.db2.gz BQRFJUJGYIDRKI-SNVBAGLBSA-N 0 3 263.316 2.376 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)[C@H](N)CCSC ZINC000602585953 347089264 /nfs/dbraw/zinc/08/92/64/347089264.db2.gz LJCAAPKXQUDRGG-LLVKDONJSA-N 0 3 258.431 2.175 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Cc1ccc(C#N)cc1 ZINC000597858879 346239718 /nfs/dbraw/zinc/23/97/18/346239718.db2.gz PVEOOIQVKIKUHT-OAHLLOKOSA-N 0 3 285.391 2.090 20 30 CEEDHN CC[C@](C)(NC(=O)[C@@H](N)CCCCC#N)C1CC1 ZINC000602585364 347089460 /nfs/dbraw/zinc/08/94/60/347089460.db2.gz GFYLRJMQVDZZDP-JSGCOSHPSA-N 0 3 251.374 2.093 20 30 CEEDHN N#CCC1CN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000598035853 346272799 /nfs/dbraw/zinc/27/27/99/346272799.db2.gz XUAIXQDBZXDXIY-UHFFFAOYSA-N 0 3 283.375 2.268 20 30 CEEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)C1(CO)CC1 ZINC000598035922 346272979 /nfs/dbraw/zinc/27/29/79/346272979.db2.gz DWMSUVQMAAQURS-DZGCQCFKSA-N 0 3 286.375 2.036 20 30 CEEDHN CCN(C(=O)c1ccc(C#N)cc1C)[C@H]1CCN(CC)C1 ZINC000598038616 346273611 /nfs/dbraw/zinc/27/36/11/346273611.db2.gz FGRJHFMVCUCFJK-HNNXBMFYSA-N 0 3 285.391 2.423 20 30 CEEDHN C=CCOCCNC(=O)C(C#N)CCc1ccccc1 ZINC000598388716 346344110 /nfs/dbraw/zinc/34/41/10/346344110.db2.gz DWXBQIUUHQQRSX-HNNXBMFYSA-N 0 3 272.348 2.078 20 30 CEEDHN CC[C@@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)C[C@H](C)N1 ZINC000598532205 346371988 /nfs/dbraw/zinc/37/19/88/346371988.db2.gz USXIBLYWBYIUHV-GXSJLCMTSA-N 0 3 293.317 2.049 20 30 CEEDHN CC(C)[C@@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)CCN1 ZINC000598569837 346375854 /nfs/dbraw/zinc/37/58/54/346375854.db2.gz FGPQZYTTXXEXFW-AWEZNQCLSA-N 0 3 291.782 2.282 20 30 CEEDHN CN(Cc1ccc2c(c1)OCO2)C[C@@H](O)CC(C)(C)C#N ZINC000598585770 346377793 /nfs/dbraw/zinc/37/77/93/346377793.db2.gz ABRLWCXVFBXYKO-ZDUSSCGKSA-N 0 3 290.363 2.148 20 30 CEEDHN Cc1occc1CN(C)C[C@@H](O)CC(C)(C)C#N ZINC000598587040 346378635 /nfs/dbraw/zinc/37/86/35/346378635.db2.gz MEMPYVCDNZQZBH-ZDUSSCGKSA-N 0 3 250.342 2.321 20 30 CEEDHN CC[C@H]1CN(C[C@@H](O)CC(C)(C)C#N)CCS1 ZINC000598596054 346381005 /nfs/dbraw/zinc/38/10/05/346381005.db2.gz QEIGEKQLBXANMA-RYUDHWBXSA-N 0 3 256.415 2.115 20 30 CEEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccc2c(c1)OCO2 ZINC000598603539 346382706 /nfs/dbraw/zinc/38/27/06/346382706.db2.gz VILJIKKRLQWMJE-DGCLKSJQSA-N 0 3 290.363 2.367 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCOCC12CCCCC2 ZINC000598621890 346385965 /nfs/dbraw/zinc/38/59/65/346385965.db2.gz YKFUJZWNTFWLKD-AWEZNQCLSA-N 0 3 280.412 2.322 20 30 CEEDHN N#Cc1ccccc1CN1CCNC[C@@H]1c1cccnc1 ZINC000598680361 346399218 /nfs/dbraw/zinc/39/92/18/346399218.db2.gz XYLKQPVRHWNVIX-QGZVFWFLSA-N 0 3 278.359 2.100 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647939 346392347 /nfs/dbraw/zinc/39/23/47/346392347.db2.gz QJGQCQNFSVGRDP-MLGOLLRUSA-N 0 3 258.365 2.317 20 30 CEEDHN Cc1cscc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598724793 346409323 /nfs/dbraw/zinc/40/93/23/346409323.db2.gz QWCRQQOZJKCTJD-LBPRGKRZSA-N 0 3 252.383 2.447 20 30 CEEDHN COc1cc(CN[C@@H](CO)CCC(C)C)ccc1C#N ZINC000598991300 346443519 /nfs/dbraw/zinc/44/35/19/346443519.db2.gz NKNXVFXRCDTOCY-OAHLLOKOSA-N 0 3 276.380 2.454 20 30 CEEDHN Cc1ccnc(NC[C@]2(N(C)C)CCSC2)c1C#N ZINC000273295253 192103104 /nfs/dbraw/zinc/10/31/04/192103104.db2.gz GGTCHEYXGCQWDM-CQSZACIVSA-N 0 3 276.409 2.111 20 30 CEEDHN CN(C)Cc1cccc(CNCc2cccc(C#N)n2)c1 ZINC000602594208 347092462 /nfs/dbraw/zinc/09/24/62/347092462.db2.gz VCDYIFJDBRZZND-UHFFFAOYSA-N 0 3 280.375 2.305 20 30 CEEDHN CCc1cnccc1[C@@H](C)NC[C@@H](O)CC1(C#N)CC1 ZINC000599360986 346507148 /nfs/dbraw/zinc/50/71/48/346507148.db2.gz DEDKXRKPAXWJGU-OCCSQVGLSA-N 0 3 273.380 2.349 20 30 CEEDHN Cc1ccc(CN2CC[C@H](O)C(C)(C)C2)cc1C#N ZINC000599382286 346510586 /nfs/dbraw/zinc/51/05/86/346510586.db2.gz KXTBUOCXQPRWRF-HNNXBMFYSA-N 0 3 258.365 2.460 20 30 CEEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccsc1 ZINC000599400851 346513811 /nfs/dbraw/zinc/51/38/11/346513811.db2.gz FYCCIENFSWVNPB-JQWIXIFHSA-N 0 3 250.367 2.453 20 30 CEEDHN CN(C(=O)C[C@H](N)c1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602602003 347095535 /nfs/dbraw/zinc/09/55/35/347095535.db2.gz LYQCZNCRTFGQQN-KKUMJFAQSA-N 0 3 271.364 2.227 20 30 CEEDHN CN(C(=O)c1cc2c(s1)CCNC2)[C@@H]1CCC[C@H]1C#N ZINC000602601000 347095631 /nfs/dbraw/zinc/09/56/31/347095631.db2.gz ILGJORFCNBGPEC-CMPLNLGQSA-N 0 3 289.404 2.158 20 30 CEEDHN CC(=O)NC[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599282857 346490812 /nfs/dbraw/zinc/49/08/12/346490812.db2.gz NQAHCTMHRFGHGJ-MRXNPFEDSA-N 0 3 285.391 2.215 20 30 CEEDHN N#Cc1cccc(NC(=O)C2(N)CC3(CCC3)C2)c1 ZINC000602604234 347096704 /nfs/dbraw/zinc/09/67/04/347096704.db2.gz NKUJNQUSBRCBBS-UHFFFAOYSA-N 0 3 255.321 2.158 20 30 CEEDHN Cc1ccc(CN2CCC[C@@H]2CN2CCOCC2)cc1C#N ZINC000599300843 346494817 /nfs/dbraw/zinc/49/48/17/346494817.db2.gz XTAVELABSIBKPW-GOSISDBHSA-N 0 3 299.418 2.163 20 30 CEEDHN CCN(CCC#N)C(=O)CN1C[C@@H]2CCCC[C@@]21C ZINC000599674807 346561650 /nfs/dbraw/zinc/56/16/50/346561650.db2.gz IWBNUERCQAGSGS-ZFWWWQNUSA-N 0 3 263.385 2.013 20 30 CEEDHN N#CCc1cccc2c1CCN(CCCCCO)C2 ZINC000599679645 346563405 /nfs/dbraw/zinc/56/34/05/346563405.db2.gz WGLCPYMGFMOFCY-UHFFFAOYSA-N 0 3 258.365 2.273 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC(N2CCOCC2)CC1 ZINC000599472375 346526070 /nfs/dbraw/zinc/52/60/70/346526070.db2.gz UELIITIDNZTIIP-OAHLLOKOSA-N 0 3 299.418 2.416 20 30 CEEDHN C=CCC[C@@H](O)CN1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599683064 346564371 /nfs/dbraw/zinc/56/43/71/346564371.db2.gz WTYHVANRZRRKNX-ZBFHGGJFSA-N 0 3 289.375 2.086 20 30 CEEDHN C=CC(C)(C)CCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000600601996 346659097 /nfs/dbraw/zinc/65/90/97/346659097.db2.gz KEJHNCVKAPWTRI-CQSZACIVSA-N 0 3 271.364 2.277 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)c2cc(C#N)ccn2)c1 ZINC000339245394 215038049 /nfs/dbraw/zinc/03/80/49/215038049.db2.gz HQMRSGBGWRTLKN-UHFFFAOYSA-N 0 3 280.331 2.267 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)c2ccccc2CC#N)C1 ZINC000600998538 346728802 /nfs/dbraw/zinc/72/88/02/346728802.db2.gz WQRIIXNJYVOVFH-CQSZACIVSA-N 0 3 285.391 2.214 20 30 CEEDHN CN(C)Cc1cccc(CNC(=O)C2(C#N)CC3(CC3)C2)c1 ZINC000600982569 346726291 /nfs/dbraw/zinc/72/62/91/346726291.db2.gz BZAFONQQQUOMNT-UHFFFAOYSA-N 0 3 297.402 2.448 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@@H]2COc3c2cccc3Cl)CC1 ZINC000600731753 346680101 /nfs/dbraw/zinc/68/01/01/346680101.db2.gz UGOZMGBUSSKEOX-ZWNOBZJWSA-N 0 3 292.766 2.418 20 30 CEEDHN CO[C@H]1C[C@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000600772730 346687045 /nfs/dbraw/zinc/68/70/45/346687045.db2.gz OXVURRFIEAMYDO-RBSFLKMASA-N 0 3 272.348 2.053 20 30 CEEDHN CC(C)CCN(CCC#N)C(=O)CN(C)C1CCC1 ZINC000600822402 346696650 /nfs/dbraw/zinc/69/66/50/346696650.db2.gz FLBKGLWTKCDTIM-UHFFFAOYSA-N 0 3 265.401 2.259 20 30 CEEDHN Cc1cc(C#N)cc(N2CCN(C)C[C@H]2C(C)C)n1 ZINC000601120012 346758570 /nfs/dbraw/zinc/75/85/70/346758570.db2.gz CXXOUNXNGJKAIS-AWEZNQCLSA-N 0 3 258.369 2.038 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2ncc(C#N)c3ccsc32)CCN1C ZINC000601119826 346758620 /nfs/dbraw/zinc/75/86/20/346758620.db2.gz WVPJGUYGSKXPGL-PWSUYJOCSA-N 0 3 286.404 2.484 20 30 CEEDHN CN(C)CCN(C)c1ncc(C#N)c2ccsc21 ZINC000601123428 346759798 /nfs/dbraw/zinc/75/97/98/346759798.db2.gz CVNAAEARJHAPPT-UHFFFAOYSA-N 0 3 260.366 2.166 20 30 CEEDHN CC[C@@H]1CN(C)CCCN1c1ncc2c(c1C#N)CCC2 ZINC000601189050 346781459 /nfs/dbraw/zinc/78/14/59/346781459.db2.gz OONQIOOGDWMDND-CQSZACIVSA-N 0 3 284.407 2.362 20 30 CEEDHN CCN1C[C@H](C)N(c2cc(C#N)nc(C3CC3)n2)C[C@H]1C ZINC000601135462 346764582 /nfs/dbraw/zinc/76/45/82/346764582.db2.gz FKZFKJABWKRNAH-NEPJUHHUSA-N 0 3 285.395 2.145 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)c1ccccc1CC#N ZINC000601149413 346769803 /nfs/dbraw/zinc/76/98/03/346769803.db2.gz KJAQYECKCGTTGU-HNNXBMFYSA-N 0 3 285.391 2.357 20 30 CEEDHN CN1CCCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000601100623 346752567 /nfs/dbraw/zinc/75/25/67/346752567.db2.gz WIJXFLPNMYAJLK-UHFFFAOYSA-N 0 3 272.377 2.310 20 30 CEEDHN CCOC(=O)C[C@@](C)(NCc1cccc(C#N)n1)C(C)C ZINC000602621042 347107557 /nfs/dbraw/zinc/10/75/57/347107557.db2.gz OQDJVBUBBDDQTJ-MRXNPFEDSA-N 0 3 289.379 2.411 20 30 CEEDHN Cc1cccc(CN2CC[C@H](Nc3cc(C#N)ncn3)C2)c1 ZINC000601240620 346799927 /nfs/dbraw/zinc/79/99/27/346799927.db2.gz VQFVUFLHMUWCLS-HNNXBMFYSA-N 0 3 293.374 2.343 20 30 CEEDHN C[C@@H](CCC#N)CNCc1ccc(S(C)(=O)=O)s1 ZINC000602633004 347114555 /nfs/dbraw/zinc/11/45/55/347114555.db2.gz VWMGADKFJZWSKO-JTQLQIEISA-N 0 3 286.422 2.181 20 30 CEEDHN CO[C@H](CN[C@H]1CCc2cc(C#N)ccc21)[C@@H]1CCOC1 ZINC000602640229 347119019 /nfs/dbraw/zinc/11/90/19/347119019.db2.gz KYGFAOPXADETDZ-HYVNUMGLSA-N 0 3 286.375 2.187 20 30 CEEDHN COCC(C)(C)N(C)Cc1cc(C#N)ccc1OC ZINC000336817805 365863253 /nfs/dbraw/zinc/86/32/53/365863253.db2.gz RXRJDWZVRGSHTB-UHFFFAOYSA-N 0 3 262.353 2.424 20 30 CEEDHN C[C@H](O)C[C@@H]1CCCCN1Cc1cccc(C#N)n1 ZINC000602645151 347121115 /nfs/dbraw/zinc/12/11/15/347121115.db2.gz VBQBTLNKISDWPN-WFASDCNBSA-N 0 3 259.353 2.079 20 30 CEEDHN C[C@H](CCC#N)CN1C[C@@H](C)OC2(CCOCC2)C1 ZINC000602645710 347121234 /nfs/dbraw/zinc/12/12/34/347121234.db2.gz YYTIDTOSNHDRPP-ZIAGYGMSSA-N 0 3 266.385 2.196 20 30 CEEDHN CO[C@H](CNCC1(C#N)CCCCC1)[C@@H]1CCOC1 ZINC000602720073 347168903 /nfs/dbraw/zinc/16/89/03/347168903.db2.gz XLQUDGYDCLJQSC-ZIAGYGMSSA-N 0 3 266.385 2.102 20 30 CEEDHN C=CC[C@@H]1CCN(Cc2ccc(C(=O)OC)n2C)C1 ZINC000602719861 347168942 /nfs/dbraw/zinc/16/89/42/347168942.db2.gz BHVMXHYASAPQMP-GFCCVEGCSA-N 0 3 262.353 2.210 20 30 CEEDHN C[C@@H](CCC#N)CN[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000602689428 347147881 /nfs/dbraw/zinc/14/78/81/347147881.db2.gz HNBBJXMCLMKBED-WFASDCNBSA-N 0 3 289.354 2.460 20 30 CEEDHN CC(C)(CNCC1(C#N)CCCCC1)N1CCOCC1 ZINC000602719464 347169158 /nfs/dbraw/zinc/16/91/58/347169158.db2.gz QQYZTMCPPXAGKW-UHFFFAOYSA-N 0 3 279.428 2.161 20 30 CEEDHN C[C@@H](C[C@@H]1CCCC(=O)N1)NCC1(C#N)CCCCC1 ZINC000602719345 347169165 /nfs/dbraw/zinc/16/91/65/347169165.db2.gz PCDGFOGXZHXQGW-KBPBESRZSA-N 0 3 277.412 2.497 20 30 CEEDHN CO[C@](C)([C@@H](C)NCc1cccc(C#N)n1)C1CC1 ZINC000602691354 347150249 /nfs/dbraw/zinc/15/02/49/347150249.db2.gz SBXHFYYSUXLXLZ-IAQYHMDHSA-N 0 3 259.353 2.246 20 30 CEEDHN CCO[C@@H]1C[C@H](NCC(C)(C)CC#N)[C@]12CCCO2 ZINC000602692717 347151183 /nfs/dbraw/zinc/15/11/83/347151183.db2.gz YBLBMDDRUNIHHO-GZBFAFLISA-N 0 3 266.385 2.242 20 30 CEEDHN C[C@@H](NCC1(C#N)CCCC1)C(C)(C)n1cncn1 ZINC000602699273 347155599 /nfs/dbraw/zinc/15/55/99/347155599.db2.gz LYEUSQIJBQHEDT-GFCCVEGCSA-N 0 3 261.373 2.075 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@@H]2[C@H]2CCCOC2)n1 ZINC000602703360 347158461 /nfs/dbraw/zinc/15/84/61/347158461.db2.gz ZRLSAPOEWUEAPV-XJKSGUPXSA-N 0 3 271.364 2.344 20 30 CEEDHN C[C@@H](CNCc1cccc(C#N)n1)C(=O)OC(C)(C)C ZINC000602705725 347160169 /nfs/dbraw/zinc/16/01/69/347160169.db2.gz OQLHUVKQSIQNIT-NSHDSACASA-N 0 3 275.352 2.021 20 30 CEEDHN CCOC(=O)c1ccc(CNC[C@@H](C)CCC#N)o1 ZINC000602656844 347126397 /nfs/dbraw/zinc/12/63/97/347126397.db2.gz OMHPWZMGCRPKDJ-NSHDSACASA-N 0 3 264.325 2.486 20 30 CEEDHN COC(=O)[C@H](CC(C)C)N(C)C[C@@H](C)CCC#N ZINC000602670978 347134008 /nfs/dbraw/zinc/13/40/08/347134008.db2.gz SPEWSCNTMQQLCC-STQMWFEESA-N 0 3 254.374 2.446 20 30 CEEDHN CCC[C@H](CN1CC[C@H](Oc2ccc(C#N)cn2)C1)OC ZINC000602670419 347134108 /nfs/dbraw/zinc/13/41/08/347134108.db2.gz CSFRATAFUYUOIB-CABCVRRESA-N 0 3 289.379 2.221 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)CC1CCCC1 ZINC000064021387 362779855 /nfs/dbraw/zinc/77/98/55/362779855.db2.gz FIILMCWBYPFDAG-UHFFFAOYSA-N 0 3 250.386 2.309 20 30 CEEDHN C[C@H]1CCN(CC2(CC#N)CC2)C[C@H]1n1ccnc1 ZINC000602794341 347200955 /nfs/dbraw/zinc/20/09/55/347200955.db2.gz ACQSENQYVWUSAW-UONOGXRCSA-N 0 3 258.369 2.460 20 30 CEEDHN C[C@H](CCC#N)CN1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602728414 347174328 /nfs/dbraw/zinc/17/43/28/347174328.db2.gz LWJXUKZAIWZAQA-FVQBIDKESA-N 0 3 274.364 2.050 20 30 CEEDHN C[C@H]1CN(CCc2ccc(C#N)cc2)C[C@H](C)N1CC#N ZINC000602847788 347223573 /nfs/dbraw/zinc/22/35/73/347223573.db2.gz CZXKNJKYOQSBNY-GJZGRUSLSA-N 0 3 282.391 2.019 20 30 CEEDHN C[C@H]1CN([C@@H]2C[C@@H]2c2ccccc2)C[C@H](C)N1CC#N ZINC000602848664 347223679 /nfs/dbraw/zinc/22/36/79/347223679.db2.gz HRHZFZDUMFODRC-XJNFMUPTSA-N 0 3 269.392 2.461 20 30 CEEDHN C=C(C)CN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000128485269 187373014 /nfs/dbraw/zinc/37/30/14/187373014.db2.gz KQZNHWGWXQOLKI-GFCCVEGCSA-N 0 3 282.409 2.164 20 30 CEEDHN N#CCCOCCN1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602885266 347237964 /nfs/dbraw/zinc/23/79/64/347237964.db2.gz FBNBCYBCEAQXCC-HNNXBMFYSA-N 0 3 296.374 2.349 20 30 CEEDHN Cn1cc(C2=CCCN([C@@H]3CC[C@H](C#N)C3)C2)cn1 ZINC000602883820 347238234 /nfs/dbraw/zinc/23/82/34/347238234.db2.gz ROZLVEKFIQOOEL-SWLSCSKDSA-N 0 3 256.353 2.201 20 30 CEEDHN COC(=O)[C@@H]1CCN(CC2(CC#N)CC2)[C@H]2CCC[C@H]21 ZINC000602913785 347245484 /nfs/dbraw/zinc/24/54/84/347245484.db2.gz AFCRDYDOJWRZGG-MJBXVCDLSA-N 0 3 276.380 2.344 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1C[C@@H]2C[C@]2(O)C1 ZINC000603090751 347285619 /nfs/dbraw/zinc/28/56/19/347285619.db2.gz RQIOKBXINLPPRT-BBRMVZONSA-N 0 3 256.349 2.054 20 30 CEEDHN N#CC1(C[C@@H](O)CN2CCC(CCF)CC2)CCOCC1 ZINC000602946598 347254178 /nfs/dbraw/zinc/25/41/78/347254178.db2.gz AKDHKXQFOKSDOI-OAHLLOKOSA-N 0 3 298.402 2.129 20 30 CEEDHN CCN1CCC(Nc2c(C#N)nnc3ccccc32)CC1 ZINC000085920121 179199158 /nfs/dbraw/zinc/19/91/58/179199158.db2.gz XQSBJNARJUBZNF-UHFFFAOYSA-N 0 3 281.363 2.398 20 30 CEEDHN CC1(F)CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000602993230 347269366 /nfs/dbraw/zinc/26/93/66/347269366.db2.gz UYCRYZCVBPZMJE-AWEZNQCLSA-N 0 3 292.354 2.122 20 30 CEEDHN CCN(C(=O)Nc1cc(F)cc(C#N)c1)[C@H]1CCN(C)C1 ZINC000603065359 347279469 /nfs/dbraw/zinc/27/94/69/347279469.db2.gz KJZFQCWBSJCBMZ-AWEZNQCLSA-N 0 3 290.342 2.255 20 30 CEEDHN C=C(C)CN1CCC(Nc2cc(C(=O)OC)ccn2)CC1 ZINC000603294192 347329961 /nfs/dbraw/zinc/32/99/61/347329961.db2.gz ZGXCZNITUFAXNB-UHFFFAOYSA-N 0 3 289.379 2.321 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000603432607 347369539 /nfs/dbraw/zinc/36/95/39/347369539.db2.gz NJJMVHZSDSDNRI-GXSJLCMTSA-N 0 3 256.309 2.050 20 30 CEEDHN C[C@@H](N[C@@H]1C[C@H](O)C1(C)C)c1ccc(OCC#N)cc1 ZINC000129624419 365878930 /nfs/dbraw/zinc/87/89/30/365878930.db2.gz VZUJXSMWZDFLOW-DFBGVHRSSA-N 0 3 274.364 2.399 20 30 CEEDHN C=CCOc1ccccc1CNC1CCN(CC#N)CC1 ZINC000609334970 347635475 /nfs/dbraw/zinc/63/54/75/347635475.db2.gz NKTKQHGUPFCFAX-UHFFFAOYSA-N 0 3 285.391 2.329 20 30 CEEDHN C[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1cccc(C#N)c1 ZINC000610403507 347678564 /nfs/dbraw/zinc/67/85/64/347678564.db2.gz HUMDQVXWFQGHAC-SWLSCSKDSA-N 0 3 298.390 2.155 20 30 CEEDHN CN(C)CCN(C)c1c(C#N)cnc2c(F)ccc(F)c21 ZINC000610469440 347682685 /nfs/dbraw/zinc/68/26/85/347682685.db2.gz RBJKOBMAHSXAAS-UHFFFAOYSA-N 0 3 290.317 2.382 20 30 CEEDHN CCO[C@@H]1C[C@@H](NC(=O)C(C)C#N)C12CCCCC2 ZINC000610492677 347685022 /nfs/dbraw/zinc/68/50/22/347685022.db2.gz GFZYJQRLADKZNJ-YNEHKIRRSA-N 0 3 264.369 2.390 20 30 CEEDHN CN(CCC#N)C(=O)CCN1C2CCCC1CCC2 ZINC000611302664 347765495 /nfs/dbraw/zinc/76/54/95/347765495.db2.gz OOQGEEYKUWYBKU-UHFFFAOYSA-N 0 3 263.385 2.156 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000610905504 347721942 /nfs/dbraw/zinc/72/19/42/347721942.db2.gz AQDFRQJEEQQKMT-OAHLLOKOSA-N 0 3 298.390 2.473 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc(C#N)cc1C ZINC000610970658 347726007 /nfs/dbraw/zinc/72/60/07/347726007.db2.gz FJIISNDJOXWUCT-OAHLLOKOSA-N 0 3 285.391 2.471 20 30 CEEDHN N#Cc1cc(CN2CCC[C@@H](c3ncc[nH]3)C2)ccn1 ZINC000610995027 347730308 /nfs/dbraw/zinc/73/03/08/347730308.db2.gz VKYQAHSIUHGKSW-CYBMUJFWSA-N 0 3 267.336 2.056 20 30 CEEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC000611239954 347756393 /nfs/dbraw/zinc/75/63/93/347756393.db2.gz NUKAVPQSCVEFBV-XJKSGUPXSA-N 0 3 293.374 2.018 20 30 CEEDHN CC(C#N)C(=O)N1CCC(OCc2ccccc2F)CC1 ZINC000611261772 347760134 /nfs/dbraw/zinc/76/01/34/347760134.db2.gz XRBSDAWCHOQHJW-GFCCVEGCSA-N 0 3 290.338 2.493 20 30 CEEDHN C[C@H](N[C@@H]1CCCN(C)C1)c1ccc(C#N)cc1F ZINC000611586605 347797502 /nfs/dbraw/zinc/79/75/02/347797502.db2.gz FOJCCPOHRUKKGM-WCQYABFASA-N 0 3 261.344 2.442 20 30 CEEDHN N#CCC1CCN(Cc2ccccc2-n2cncn2)CC1 ZINC000611622894 347800296 /nfs/dbraw/zinc/80/02/96/347800296.db2.gz VVUIMQKHMCUJHT-UHFFFAOYSA-N 0 3 281.363 2.393 20 30 CEEDHN C[C@H]1C[C@H](Nc2nc3ccccn3c2C#N)CCN1C ZINC000611754311 347814340 /nfs/dbraw/zinc/81/43/40/347814340.db2.gz BBCBMYJCYMGYTD-NWDGAFQWSA-N 0 3 269.352 2.101 20 30 CEEDHN CCCCN(C)CCNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612137009 347848411 /nfs/dbraw/zinc/84/84/11/347848411.db2.gz XHYDOXDFGLUCGW-HNNXBMFYSA-N 0 3 280.416 2.054 20 30 CEEDHN C[C@H]1CCC[C@@]1(O)CNCc1cc(C#N)cs1 ZINC000336885842 365931988 /nfs/dbraw/zinc/93/19/88/365931988.db2.gz BAPPTTPUUNXCFR-GXFFZTMASA-N 0 3 250.367 2.260 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000130229245 365936338 /nfs/dbraw/zinc/93/63/38/365936338.db2.gz MUNQPOLFSYBCDP-STQMWFEESA-N 0 3 265.401 2.219 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@@H]1CCCO1 ZINC000130242973 365936364 /nfs/dbraw/zinc/93/63/64/365936364.db2.gz IXYKEJGTCRKPQK-FZMZJTMJSA-N 0 3 260.337 2.224 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCCC[C@@H]1CCO ZINC000130391058 365951872 /nfs/dbraw/zinc/95/18/72/365951872.db2.gz CFWUXLUVQGNUOO-OAHLLOKOSA-N 0 3 274.364 2.304 20 30 CEEDHN CCOC(=O)C[C@](C)(NCc1ccnc(C#N)c1)C(C)C ZINC000614230243 348164125 /nfs/dbraw/zinc/16/41/25/348164125.db2.gz OTKROKZFBHCCGG-INIZCTEOSA-N 0 3 289.379 2.411 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2CC[C@H]3CCC[C@H]32)cc1 ZINC000614600983 348220937 /nfs/dbraw/zinc/22/09/37/348220937.db2.gz ZOJLDOUYOQPYCI-HZPDHXFCSA-N 0 3 283.375 2.049 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(CCO)C(C)(C)C1 ZINC000614920899 348254839 /nfs/dbraw/zinc/25/48/39/348254839.db2.gz XSYWTOMCHVFQNW-CQSZACIVSA-N 0 3 287.407 2.008 20 30 CEEDHN C=CC[C@H](CO)NCc1c(C)nn(C(C)(C)C)c1C ZINC000273350708 192122532 /nfs/dbraw/zinc/12/25/32/192122532.db2.gz AYGXFBNOBWQGFY-CYBMUJFWSA-N 0 3 265.401 2.282 20 30 CEEDHN Cc1ccnc(N[C@H](C)C2=CCN(C)CC2)c1C#N ZINC000273425505 192146711 /nfs/dbraw/zinc/14/67/11/192146711.db2.gz ZODSPKMGQWOLDZ-GFCCVEGCSA-N 0 3 256.353 2.324 20 30 CEEDHN C=CCC[C@H](C)[NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F ZINC000273442480 192151400 /nfs/dbraw/zinc/15/14/00/192151400.db2.gz NAMHKXCYXRHLQW-JQWIXIFHSA-N 0 3 291.317 2.114 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000617783332 348790753 /nfs/dbraw/zinc/79/07/53/348790753.db2.gz YGSAOPXGZDUKQX-ZDUSSCGKSA-N 0 3 250.386 2.143 20 30 CEEDHN CN1CCC(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618892285 349061478 /nfs/dbraw/zinc/06/14/78/349061478.db2.gz KQDMGVDLNGVVDC-MRXNPFEDSA-N 0 3 283.375 2.004 20 30 CEEDHN N#Cc1ccc(CNCC2(CO)CCCC2)cc1F ZINC000404129620 233193448 /nfs/dbraw/zinc/19/34/48/233193448.db2.gz SJTBGEFGECWTKX-UHFFFAOYSA-N 0 3 262.328 2.340 20 30 CEEDHN N#Cc1ccc(CNCCC(=O)N2CCCCC2)cc1F ZINC000404062918 233193503 /nfs/dbraw/zinc/19/35/03/233193503.db2.gz MVTYKYLFXZAXCC-UHFFFAOYSA-N 0 3 289.354 2.190 20 30 CEEDHN CC(C)(C)[C@@H]1CN(CCCSCC#N)CCO1 ZINC000619179446 349134741 /nfs/dbraw/zinc/13/47/41/349134741.db2.gz CPHSSUOBGLICMH-LBPRGKRZSA-N 0 3 256.415 2.380 20 30 CEEDHN C[C@@H]1CN(Cc2cn3ccccc3c2C#N)C[C@@H](C)N1C ZINC000339618312 215269846 /nfs/dbraw/zinc/26/98/46/215269846.db2.gz HNRYJETWAPUDJH-ZIAGYGMSSA-N 0 3 282.391 2.335 20 30 CEEDHN C=C[C@@H](N[C@@H](CN1CCCC1)c1ccccc1)C(=O)OC ZINC000619700278 349221384 /nfs/dbraw/zinc/22/13/84/349221384.db2.gz RENPTNNPFXUPNA-CVEARBPZSA-N 0 3 288.391 2.141 20 30 CEEDHN C[C@H](CC(=O)N(C)C)NCc1ccc(C#N)c(Cl)c1 ZINC000619754937 349233252 /nfs/dbraw/zinc/23/32/52/349233252.db2.gz OTRGMIXXZSRVAD-SNVBAGLBSA-N 0 3 279.771 2.168 20 30 CEEDHN C=CCCOCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000620525571 349379682 /nfs/dbraw/zinc/37/96/82/349379682.db2.gz KSYNJESNMFKAJN-UHFFFAOYSA-N 0 3 294.439 2.304 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H](CCC)OCC)CC1 ZINC000623635144 350071459 /nfs/dbraw/zinc/07/14/59/350071459.db2.gz WNYFPNQVJARSSH-OAHLLOKOSA-N 0 3 297.443 2.141 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000623725550 350094487 /nfs/dbraw/zinc/09/44/87/350094487.db2.gz BXDKDLCPOCZZAZ-STQMWFEESA-N 0 3 265.401 2.077 20 30 CEEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H](C)[C@H](C)C1 ZINC000091528036 180179630 /nfs/dbraw/zinc/17/96/30/180179630.db2.gz MRLYGIYRIBKJDD-UPJWGTAASA-N 0 3 271.364 2.473 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091630989 180210356 /nfs/dbraw/zinc/21/03/56/180210356.db2.gz VEFWMPOZHZOHAN-DZGCQCFKSA-N 0 3 290.411 2.120 20 30 CEEDHN N#Cc1c(Cl)cccc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091670473 180224009 /nfs/dbraw/zinc/22/40/09/180224009.db2.gz STZZHZWUDVDSAX-NEPJUHHUSA-N 0 3 291.782 2.487 20 30 CEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(C#N)CC1 ZINC000105182015 186045283 /nfs/dbraw/zinc/04/52/83/186045283.db2.gz FTMRULHGDBTZBK-ZIAGYGMSSA-N 0 3 292.427 2.052 20 30 CEEDHN C=CCN(CCc1cn(C)nn1)CCc1ccccc1 ZINC000625108717 350406866 /nfs/dbraw/zinc/40/68/66/350406866.db2.gz JNMHRINKVAKQLA-UHFFFAOYSA-N 0 3 270.380 2.088 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Cc2ccccc2O)CC1 ZINC000106290797 186107150 /nfs/dbraw/zinc/10/71/50/186107150.db2.gz PUNRTURNHKYAAI-UHFFFAOYSA-N 0 3 288.391 2.091 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)CC1CCOCC1 ZINC000130467715 365960280 /nfs/dbraw/zinc/96/02/80/365960280.db2.gz RDZKVMMGMGXZPN-UHFFFAOYSA-N 0 3 274.364 2.425 20 30 CEEDHN C[C@@H](N[C@H]1CCCOC1)c1ccc(OCC#N)cc1 ZINC000109544940 186262133 /nfs/dbraw/zinc/26/21/33/186262133.db2.gz UFUYTKXZDTYDNX-OCCSQVGLSA-N 0 3 260.337 2.419 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC(O)(CC)CC ZINC000626109164 350655121 /nfs/dbraw/zinc/65/51/21/350655121.db2.gz FVLPOHQXVGXBQK-CQSZACIVSA-N 0 3 284.444 2.282 20 30 CEEDHN COc1ccc(CN(C)C[C@@H](C)O)cc1OCCCC#N ZINC000130730065 365985640 /nfs/dbraw/zinc/98/56/40/365985640.db2.gz VSDIHHDJXLPDPL-CYBMUJFWSA-N 0 3 292.379 2.190 20 30 CEEDHN C=CCN1CCC(NCc2cnc(C3CC3)o2)CC1 ZINC000628212126 351007173 /nfs/dbraw/zinc/00/71/73/351007173.db2.gz LDALHVUCKYWEOQ-UHFFFAOYSA-N 0 3 261.369 2.292 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000069857201 363008384 /nfs/dbraw/zinc/00/83/84/363008384.db2.gz DYQGMRPMFHWLMB-GOSISDBHSA-N 0 3 299.418 2.102 20 30 CEEDHN C=CCN(CC(=O)NCCCOC)CC1CCCCC1 ZINC000070015970 363020304 /nfs/dbraw/zinc/02/03/04/363020304.db2.gz YNDYPPHRJDAWAZ-UHFFFAOYSA-N 0 3 282.428 2.207 20 30 CEEDHN C=CCN(CCc1ccco1)CCN1CCOC[C@H]1C ZINC000337173125 366053011 /nfs/dbraw/zinc/05/30/11/366053011.db2.gz GCZKGBYFLFWPOY-OAHLLOKOSA-N 0 3 278.396 2.031 20 30 CEEDHN C[C@@H](C(=O)NCc1ccc(C#N)cc1)N1[C@H](C)CC[C@H]1C ZINC000122153590 187018367 /nfs/dbraw/zinc/01/83/67/187018367.db2.gz SWDHWJSXCVRGTP-MCIONIFRSA-N 0 3 285.391 2.436 20 30 CEEDHN C=CCC(C)(C)CNCc1cn(C[C@@H]2CCOC2)nn1 ZINC000631143361 351984783 /nfs/dbraw/zinc/98/47/83/351984783.db2.gz RFBYXCBSTMJNGH-ZDUSSCGKSA-N 0 3 278.400 2.007 20 30 CEEDHN C=CCCCCCNCc1cn(C[C@H]2CCOC2)nn1 ZINC000631169326 351997558 /nfs/dbraw/zinc/99/75/58/351997558.db2.gz QZEJJJMKSIXGGW-CQSZACIVSA-N 0 3 278.400 2.151 20 30 CEEDHN C=CCC1(NCc2ncnn2C(C)C)CCOCC1 ZINC000631174631 352000501 /nfs/dbraw/zinc/00/05/01/352000501.db2.gz ZTBFVWBRLOSDNU-UHFFFAOYSA-N 0 3 264.373 2.074 20 30 CEEDHN C=CCCC(C)(C)NCc1cn(C[C@@H]2CCOC2)nn1 ZINC000631179204 352003109 /nfs/dbraw/zinc/00/31/09/352003109.db2.gz RFPUIXWSEWOVFF-ZDUSSCGKSA-N 0 3 278.400 2.149 20 30 CEEDHN N#Cc1ccc(OCCNCc2ccccn2)cc1 ZINC000072939123 363182736 /nfs/dbraw/zinc/18/27/36/363182736.db2.gz JDHFSUYYPPLCFJ-UHFFFAOYSA-N 0 3 253.305 2.122 20 30 CEEDHN C=CC[C@H](CO)N[C@H]1CCc2c1c(F)ccc2F ZINC000273495059 192175577 /nfs/dbraw/zinc/17/55/77/192175577.db2.gz XNSIIWXVQGSLPW-RNCFNFMXSA-N 0 3 253.292 2.479 20 30 CEEDHN C=C(C)CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000156755580 188279528 /nfs/dbraw/zinc/27/95/28/188279528.db2.gz QYMONAVZRZIJPF-OAHLLOKOSA-N 0 3 275.396 2.473 20 30 CEEDHN C=C(Cl)CNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000157018052 188293538 /nfs/dbraw/zinc/29/35/38/188293538.db2.gz FPIDJUHKEMKIMC-PWSUYJOCSA-N 0 3 252.745 2.191 20 30 CEEDHN CCC[C@H](C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC000292589426 198342768 /nfs/dbraw/zinc/34/27/68/198342768.db2.gz GLQWCYWJSPOGAD-ZDUSSCGKSA-N 0 3 273.380 2.200 20 30 CEEDHN C[C@H](c1cccc(O)c1)N(C)CCC(=O)N(C)CCC#N ZINC000131868718 366093644 /nfs/dbraw/zinc/09/36/44/366093644.db2.gz LBTTZQWDULAORO-CYBMUJFWSA-N 0 3 289.379 2.147 20 30 CEEDHN C=CCN1CC[C@H](N(C)C[C@H](C)CC(C)C)C1=O ZINC000337229105 366090783 /nfs/dbraw/zinc/09/07/83/366090783.db2.gz ROHHMQZCLPJPJT-KGLIPLIRSA-N 0 3 252.402 2.387 20 30 CEEDHN C=CCN[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000337474724 366154771 /nfs/dbraw/zinc/15/47/71/366154771.db2.gz XTLDEDDRDFABGY-HNNXBMFYSA-N 0 3 254.333 2.365 20 30 CEEDHN CCN(CC)CC(=O)N(CCC#N)CC(C)(C)C ZINC000337662208 366167627 /nfs/dbraw/zinc/16/76/27/366167627.db2.gz SYICQDXXQSEZEN-UHFFFAOYSA-N 0 3 253.390 2.117 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000338129071 366203535 /nfs/dbraw/zinc/20/35/35/366203535.db2.gz BBFDBQJKRYDUIG-MEDUHNTESA-N 0 3 283.375 2.079 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)NC1CCN(C2CC2)CC1 ZINC000338160290 366216379 /nfs/dbraw/zinc/21/63/79/366216379.db2.gz HMRWGCINSSKCIP-UHFFFAOYSA-N 0 3 283.375 2.223 20 30 CEEDHN N#Cc1cccc(C2(NCC[C@H]3CCOC3=O)CC2)c1 ZINC000271821975 191348425 /nfs/dbraw/zinc/34/84/25/191348425.db2.gz SIMHHHMNHQVTCK-ZDUSSCGKSA-N 0 3 270.332 2.090 20 30 CEEDHN CC(C)N1C[C@@H](N[C@H](C)c2cccc(C#N)c2)CC1=O ZINC000271862202 191375206 /nfs/dbraw/zinc/37/52/06/191375206.db2.gz KRWWSJXEQPIUMJ-DOMZBBRYSA-N 0 3 271.364 2.218 20 30 CEEDHN N#Cc1ccc(CN[C@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000172068030 283148463 /nfs/dbraw/zinc/14/84/63/283148463.db2.gz FPQCEROIFRETFD-IRXDYDNUSA-N 0 3 264.328 2.306 20 30 CEEDHN C[C@@H](CNC(=O)/C=C/c1cccc(C#N)c1)N(C)C1CC1 ZINC000075577598 363476104 /nfs/dbraw/zinc/47/61/04/363476104.db2.gz QGEAPZBTYJIMAL-PPGNKHEKSA-N 0 3 283.375 2.170 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CNCCC1(F)F)CC2 ZINC000335365100 283197469 /nfs/dbraw/zinc/19/74/69/283197469.db2.gz YEANPJOHAFEZEE-KBPBESRZSA-N 0 3 277.318 2.132 20 30 CEEDHN CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCN(C2CC2)C1 ZINC000336324151 213168403 /nfs/dbraw/zinc/16/84/03/213168403.db2.gz LPKAIZMWRBSRQC-HNNXBMFYSA-N 0 3 284.363 2.259 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Cc2occc2C)CC1 ZINC000668369951 538894111 /nfs/dbraw/zinc/89/41/11/538894111.db2.gz JCTXHFLVVPMLSK-UHFFFAOYSA-N 0 3 276.380 2.287 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000668370507 538894256 /nfs/dbraw/zinc/89/42/56/538894256.db2.gz YVWQHUFMJKPJLT-YUELXQCFSA-N 0 3 262.397 2.189 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000336261930 213098911 /nfs/dbraw/zinc/09/89/11/213098911.db2.gz SWDOBCILCUJUDP-AWEZNQCLSA-N 0 3 288.395 2.045 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)NC1CCN(CCCOC)CC1 ZINC000135010017 366384601 /nfs/dbraw/zinc/38/46/01/366384601.db2.gz VMQWXLOMRLDTDN-INIZCTEOSA-N 0 3 282.428 2.206 20 30 CEEDHN N#Cc1ccc(CNC[C@H]2Cc3ccccc3O2)o1 ZINC000135140066 366400656 /nfs/dbraw/zinc/40/06/56/366400656.db2.gz CUXHYKWKHMQEHP-CQSZACIVSA-N 0 3 254.289 2.245 20 30 CEEDHN N#Cc1ccc(CNCCCOC[C@H]2CCCO2)s1 ZINC000135673407 366466620 /nfs/dbraw/zinc/46/66/20/366466620.db2.gz RNXKYYACVYSXBL-GFCCVEGCSA-N 0 3 280.393 2.295 20 30 CEEDHN CCOC(=O)CCCCCN1CCC(C#N)CC1 ZINC000079618690 363619029 /nfs/dbraw/zinc/61/90/29/363619029.db2.gz TXDBTIQDTMFWJS-UHFFFAOYSA-N 0 3 252.358 2.345 20 30 CEEDHN N#Cc1csc(CN[C@@H]2CCN(CC(F)F)C2)c1 ZINC000418141155 237319694 /nfs/dbraw/zinc/31/96/94/237319694.db2.gz WMFBAXWFKJSBQB-SNVBAGLBSA-N 0 3 271.336 2.049 20 30 CEEDHN COCCO[C@@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000338957398 366589975 /nfs/dbraw/zinc/58/99/75/366589975.db2.gz NZWVLQYQUBRDDG-QGZVFWFLSA-N 0 3 288.391 2.494 20 30 CEEDHN CC#CCN1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000080926411 363689502 /nfs/dbraw/zinc/68/95/02/363689502.db2.gz KMFPCMBQILNEDH-AWEZNQCLSA-N 0 3 271.364 2.064 20 30 CEEDHN C=CCC(CC=C)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000150864678 366602016 /nfs/dbraw/zinc/60/20/16/366602016.db2.gz YGGUKQJHABPLBX-CQSZACIVSA-N 0 3 250.386 2.307 20 30 CEEDHN COC[C@@H](Cc1ccccc1)N(C)CCOCCC#N ZINC000339116723 366660925 /nfs/dbraw/zinc/66/09/25/366660925.db2.gz BAZHDCFDYSPGNQ-MRXNPFEDSA-N 0 3 276.380 2.106 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(F)c(F)cc2F)CC1 ZINC000178542037 189125664 /nfs/dbraw/zinc/12/56/64/189125664.db2.gz WRLFTTGHVZHSPB-UHFFFAOYSA-N 0 3 298.308 2.484 20 30 CEEDHN CCN1CCC[C@H](CNc2snc(C)c2C#N)C1 ZINC000571595151 299317330 /nfs/dbraw/zinc/31/73/30/299317330.db2.gz XVLYQPNPNMVLCO-LLVKDONJSA-N 0 3 264.398 2.467 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)nc2)CC1 ZINC000676266176 540909331 /nfs/dbraw/zinc/90/93/31/540909331.db2.gz HXYGGHNVQISHSR-UHFFFAOYSA-N 0 3 274.368 2.162 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@H]2CC(=O)OC)cc1 ZINC000179893267 189226489 /nfs/dbraw/zinc/22/64/89/189226489.db2.gz SFFGARDKWQRRFD-HNNXBMFYSA-N 0 3 287.359 2.226 20 30 CEEDHN Cn1cc(CNC[C@@H]2CCCO2)c(-c2ccc(C#N)cc2)n1 ZINC000180028959 189232958 /nfs/dbraw/zinc/23/29/58/189232958.db2.gz XKXXFZHXDZJKCR-INIZCTEOSA-N 0 3 296.374 2.227 20 30 CEEDHN C=C(C)[C@H](CO)N1CCN(Cc2cccc(C)c2)CC1 ZINC000677046851 540975191 /nfs/dbraw/zinc/97/51/91/540975191.db2.gz LPVWMARAEUTMLO-KRWDZBQOSA-N 0 3 274.408 2.050 20 30 CEEDHN COCC#CCN(CCO)[C@H]1CCCc2ccccc21 ZINC000677818747 541046658 /nfs/dbraw/zinc/04/66/58/541046658.db2.gz HPORCKRIPPLJHG-KRWDZBQOSA-N 0 3 273.376 2.008 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCC1(C#N)CC1 ZINC000579789757 366700753 /nfs/dbraw/zinc/70/07/53/366700753.db2.gz NDWDDLUOMFZPLI-GDBMZVCRSA-N 0 3 269.392 2.400 20 30 CEEDHN CCN(CC(=O)NC1(C#N)CCC1)C1CC(C)(C)C1 ZINC000580046648 366740604 /nfs/dbraw/zinc/74/06/04/366740604.db2.gz OQLFQLONSMBMLP-UHFFFAOYSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCOCCCC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000638670266 370675621 /nfs/dbraw/zinc/67/56/21/370675621.db2.gz CXEYGQLRCMKCIE-UHFFFAOYSA-N 0 3 290.363 2.090 20 30 CEEDHN C=C(C)[C@H](CO)N(C)CCCOc1ccc(F)cc1 ZINC000678049068 541072123 /nfs/dbraw/zinc/07/21/23/541072123.db2.gz CMQBLIUHDKTKSG-HNNXBMFYSA-N 0 3 267.344 2.463 20 30 CEEDHN CC#CCCN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000155188463 366809651 /nfs/dbraw/zinc/80/96/51/366809651.db2.gz FGQKYANRESFVNS-CYBMUJFWSA-N 0 3 266.385 2.389 20 30 CEEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000678732323 541167564 /nfs/dbraw/zinc/16/75/64/541167564.db2.gz LKNJSRWHWKMHSA-GWCFXTLKSA-N 0 3 253.317 2.422 20 30 CEEDHN C[C@@H](C1CC1)N(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000029725279 361689726 /nfs/dbraw/zinc/68/97/26/361689726.db2.gz FAPNWWPZDAITEW-ZBEGNZNMSA-N 0 3 275.396 2.058 20 30 CEEDHN N#Cc1c(NCCN2CCCCCC2)nc2ccccn12 ZINC000302072340 201332119 /nfs/dbraw/zinc/33/21/19/201332119.db2.gz FPEILODEJDQFDD-UHFFFAOYSA-N 0 3 283.379 2.494 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc(C#N)cs1 ZINC000084189391 363801828 /nfs/dbraw/zinc/80/18/28/363801828.db2.gz PWTBJFSLGSDOLN-NSHDSACASA-N 0 3 277.393 2.034 20 30 CEEDHN COC(=O)C[C@@H]1CCCCN1CCC(C)(C)C#N ZINC000087594722 363861261 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/nfs/dbraw/zinc/31/98/57/364319857.db2.gz VJBJXTXGTAZTEL-UHFFFAOYSA-N 0 3 272.352 2.036 20 30 CEEDHN C=C(C)CNC(=O)NCCN1CCCC[C@@H]1CC ZINC000156772099 366837613 /nfs/dbraw/zinc/83/76/13/366837613.db2.gz WMQZQTVJTNTUGP-ZDUSSCGKSA-N 0 3 253.390 2.126 20 30 CEEDHN C=C(C)CNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000156747259 366838009 /nfs/dbraw/zinc/83/80/09/366838009.db2.gz TYKAJTXYHNYIES-UHFFFAOYSA-N 0 3 291.395 2.002 20 30 CEEDHN CC#CCN1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000157721197 366847608 /nfs/dbraw/zinc/84/76/08/366847608.db2.gz BJINWMXGHFVOFH-CQSZACIVSA-N 0 3 271.364 2.064 20 30 CEEDHN CC#CCCNCc1cc(OC)c(OC)c(OC)c1 ZINC000158313219 366855430 /nfs/dbraw/zinc/85/54/30/366855430.db2.gz UPNOKFOJGKEDLR-UHFFFAOYSA-N 0 3 263.337 2.215 20 30 CEEDHN C[C@@H]1CC[C@H](C(N)=O)CN1CC#Cc1cccc(Cl)c1 ZINC000158471513 366857095 /nfs/dbraw/zinc/85/70/95/366857095.db2.gz OONDKAZHSPSCJM-OCCSQVGLSA-N 0 3 290.794 2.277 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000107632688 364710432 /nfs/dbraw/zinc/71/04/32/364710432.db2.gz KULAEMMHCWZJAB-JKSUJKDBSA-N 0 3 294.439 2.445 20 30 CEEDHN CN1CCC[C@@]2(CCN(C(=O)NCC(C)(C)CC#N)C2)C1 ZINC000335588249 364810048 /nfs/dbraw/zinc/81/00/48/364810048.db2.gz BBEDHCZIKZYMOA-MRXNPFEDSA-N 0 3 292.427 2.054 20 30 CEEDHN CC(C)N1CCC[C@@H](NC(=O)c2cscc2C#N)C1 ZINC000335738949 364911391 /nfs/dbraw/zinc/91/13/91/364911391.db2.gz CVSLPSFUUVDSLO-GFCCVEGCSA-N 0 3 277.393 2.222 20 30 CEEDHN CC(C#N)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000335827905 365038730 /nfs/dbraw/zinc/03/87/30/365038730.db2.gz UOQJLBNKCSRRDW-VIFPVBQESA-N 0 3 271.295 2.351 20 30 CEEDHN C=CCN(CCO)Cc1cccc(Br)c1 ZINC000116994123 365087062 /nfs/dbraw/zinc/08/70/62/365087062.db2.gz MMIBROOPMIMJMH-UHFFFAOYSA-N 0 3 270.170 2.429 20 30 CEEDHN C=CCCCN1CCCN(C(=O)c2ccncc2)CC1 ZINC000117873248 365128468 /nfs/dbraw/zinc/12/84/68/365128468.db2.gz XAQQXADACCWVCQ-UHFFFAOYSA-N 0 3 273.380 2.196 20 30 CEEDHN CC(C#N)C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000335909357 365148098 /nfs/dbraw/zinc/14/80/98/365148098.db2.gz CKDRWCRMKZOFQG-CQSZACIVSA-N 0 3 285.391 2.269 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCS2)CC1 ZINC000119948903 365348668 /nfs/dbraw/zinc/34/86/68/365348668.db2.gz HBWZJODGWUPQRM-AWEZNQCLSA-N 0 3 297.468 2.222 20 30 CEEDHN CC(C)(C#N)CCN1CCS[C@@H]2COCC[C@@H]21 ZINC000119997660 365358557 /nfs/dbraw/zinc/35/85/57/365358557.db2.gz HHNLDYBGOMACBR-NWDGAFQWSA-N 0 3 254.399 2.133 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000336070004 365365431 /nfs/dbraw/zinc/36/54/31/365365431.db2.gz WYLRZDUBSYTXHU-JGVFFNPUSA-N 0 3 282.141 2.181 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)Nc2cccc(C#N)c2)CN1C1CC1 ZINC000119848227 365334406 /nfs/dbraw/zinc/33/44/06/365334406.db2.gz JQLXLKHQOLIWKQ-FZMZJTMJSA-N 0 3 284.363 2.305 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccccc1-n1ccnn1 ZINC000583547348 367063140 /nfs/dbraw/zinc/06/31/40/367063140.db2.gz HAANFSPOQSCWSP-XPKDYRNWSA-N 0 3 284.363 2.261 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)c2ccc(C#N)[nH]2)N(C)C)cc1 ZINC000161944130 367124447 /nfs/dbraw/zinc/12/44/47/367124447.db2.gz AXQFUGCTHXQUFU-INIZCTEOSA-N 0 3 296.374 2.228 20 30 CEEDHN N#CCC1(CNC[C@H](O)COc2ccccc2Cl)CC1 ZINC000583990051 367125664 /nfs/dbraw/zinc/12/56/64/367125664.db2.gz BAHVEZFBXMBQHZ-LBPRGKRZSA-N 0 3 294.782 2.363 20 30 CEEDHN N#Cc1cccc(CN2CCNC[C@@H]2c2cccnc2)c1 ZINC000583756024 367092448 /nfs/dbraw/zinc/09/24/48/367092448.db2.gz MSAWODMNFONWEM-QGZVFWFLSA-N 0 3 278.359 2.100 20 30 CEEDHN C[C@H]1C[C@@H](CO)CN(Cc2ccc(C#N)c(F)c2)C1 ZINC000335555281 212260840 /nfs/dbraw/zinc/26/08/40/212260840.db2.gz LREQWPYOSBRCOS-WCQYABFASA-N 0 3 262.328 2.148 20 30 CEEDHN C=CCN(C[C@@H](O)COCc1ccc(OC)cc1)C1CC1 ZINC000357526877 370821521 /nfs/dbraw/zinc/82/15/21/370821521.db2.gz GXEQTIIWXAWAFN-MRXNPFEDSA-N 0 3 291.391 2.223 20 30 CEEDHN CN(C)CCOC1CCN(C(=O)CCCCCC#N)CC1 ZINC000588364181 367191767 /nfs/dbraw/zinc/19/17/67/367191767.db2.gz NGTXSQJKYGDAGE-UHFFFAOYSA-N 0 3 295.427 2.030 20 30 CEEDHN CN(C)C[C@@H]1CCCCN1C(=O)CCCCCC#N ZINC000588624959 367194407 /nfs/dbraw/zinc/19/44/07/367194407.db2.gz UQQWNLKQKLNKIB-AWEZNQCLSA-N 0 3 265.401 2.403 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)N(C)CC(C)(C)C#N ZINC000590931403 367199660 /nfs/dbraw/zinc/19/96/60/367199660.db2.gz SUOVLVQLLFODSA-ZDUSSCGKSA-N 0 3 280.416 2.052 20 30 CEEDHN C[C@@H]1C[C@H]1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000357948922 370849134 /nfs/dbraw/zinc/84/91/34/370849134.db2.gz NNXUXELQKBTNDV-PBHICJAKSA-N 0 3 299.418 2.495 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000342476273 367413593 /nfs/dbraw/zinc/41/35/93/367413593.db2.gz UYHACJSPTLUVCE-JIMOISOXSA-N 0 3 278.739 2.446 20 30 CEEDHN CC(C)N1C[C@H](C)[C@H](Nc2nccc(C#N)c2Cl)C1 ZINC000342566836 367424427 /nfs/dbraw/zinc/42/44/27/367424427.db2.gz LYGHXMNKSITKNA-CMPLNLGQSA-N 0 3 278.787 2.169 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)[C@H]1C[C@H]1c1ccc(OC)cc1 ZINC000342705179 367492002 /nfs/dbraw/zinc/49/20/02/367492002.db2.gz ZXTYHTZFCLUBHN-WQVCFCJDSA-N 0 3 288.391 2.079 20 30 CEEDHN CC(C)C(=O)NC1CCN(CCC(C)(C)C#N)CC1 ZINC000342589823 367436892 /nfs/dbraw/zinc/43/68/92/367436892.db2.gz VMCVEEJEJKGBSB-UHFFFAOYSA-N 0 3 265.401 2.163 20 30 CEEDHN COC(=O)[C@H](C)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000171301446 367519379 /nfs/dbraw/zinc/51/93/79/367519379.db2.gz ISOYUDJJXIRKPL-GFCCVEGCSA-N 0 3 272.348 2.332 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC)cc2)CC1 ZINC000171680092 367591582 /nfs/dbraw/zinc/59/15/82/367591582.db2.gz SGLWTTTWJYJMAY-UHFFFAOYSA-N 0 3 289.379 2.467 20 30 CEEDHN CCC#C[C@@H](C)N1CC[C@]2(C1)c1ccccc1NC2=O ZINC000681699414 541583928 /nfs/dbraw/zinc/58/39/28/541583928.db2.gz USZQGTVQWWOGJN-DYVFJYSZSA-N 0 3 268.360 2.384 20 30 CEEDHN C=CCCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000172176480 367690507 /nfs/dbraw/zinc/69/05/07/367690507.db2.gz BCLIMWRXKLAZRB-UHFFFAOYSA-N 0 3 256.353 2.041 20 30 CEEDHN CC[C@@H](C)N[C@H](CNc1cnc(C#N)cn1)c1ccco1 ZINC000343245190 367721793 /nfs/dbraw/zinc/72/17/93/367721793.db2.gz BTHHCNAYIKDKOC-DGCLKSJQSA-N 0 3 285.351 2.483 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CCCN1C ZINC000343438052 367814746 /nfs/dbraw/zinc/81/47/46/367814746.db2.gz LVAUIQIMPGUNHV-CZUORRHYSA-N 0 3 297.402 2.454 20 30 CEEDHN C=CCOc1ccccc1C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343447941 367819928 /nfs/dbraw/zinc/81/99/28/367819928.db2.gz PLWNATRWAOVYNV-HIFRSBDPSA-N 0 3 288.391 2.464 20 30 CEEDHN C=CCOc1ccccc1C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343447943 367820344 /nfs/dbraw/zinc/82/03/44/367820344.db2.gz PLWNATRWAOVYNV-UKRRQHHQSA-N 0 3 288.391 2.464 20 30 CEEDHN C[C@@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1cccc(C#N)c1 ZINC000343605985 367910964 /nfs/dbraw/zinc/91/09/64/367910964.db2.gz LMKYQSSKSBIOQT-XYPHTWIQSA-N 0 3 285.391 2.072 20 30 CEEDHN Cc1ccoc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000343576088 367894554 /nfs/dbraw/zinc/89/45/54/367894554.db2.gz BBRLSTULBNOMHB-HNNXBMFYSA-N 0 3 293.326 2.458 20 30 CEEDHN N#CCSCCCN1CCN(Cc2ccccc2)CC1 ZINC000173864655 367952880 /nfs/dbraw/zinc/95/28/80/367952880.db2.gz NVDFPPTZMRRADV-UHFFFAOYSA-N 0 3 289.448 2.451 20 30 CEEDHN C=CCC[C@H](NC[C@](C)(O)C(=O)OC)c1ccccc1 ZINC000343744989 367983255 /nfs/dbraw/zinc/98/32/55/367983255.db2.gz VXUOIELPQRRWHR-HOCLYGCPSA-N 0 3 277.364 2.208 20 30 CEEDHN CC[C@H](CCO)CNC(=O)C(C#N)CCc1ccccc1 ZINC000343807189 368014597 /nfs/dbraw/zinc/01/45/97/368014597.db2.gz KTYUAUONZXAVJQ-ZBFHGGJFSA-N 0 3 288.391 2.284 20 30 CEEDHN N#Cc1cccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000174443270 368024617 /nfs/dbraw/zinc/02/46/17/368024617.db2.gz FOZXVOFCQIUXEE-HNNXBMFYSA-N 0 3 282.347 2.036 20 30 CEEDHN CN1CCN(CCCSc2ccc(C#N)cc2)CC1 ZINC000343834719 368030379 /nfs/dbraw/zinc/03/03/79/368030379.db2.gz RACCEMRFTFHVLR-UHFFFAOYSA-N 0 3 275.421 2.288 20 30 CEEDHN C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CC(C)(C)C1 ZINC000344039736 368103971 /nfs/dbraw/zinc/10/39/71/368103971.db2.gz UMYNHXIYLZYSNQ-AWEZNQCLSA-N 0 3 290.411 2.010 20 30 CEEDHN CCN1C[C@H](C)N(c2ccc(C)c(C#N)n2)C[C@@H]1C ZINC000345110964 368158036 /nfs/dbraw/zinc/15/80/36/368158036.db2.gz KCEXVNVCQYHKIY-STQMWFEESA-N 0 3 258.369 2.181 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000633411022 368239130 /nfs/dbraw/zinc/23/91/30/368239130.db2.gz XQBDCPCETWCAOD-KGLIPLIRSA-N 0 3 279.428 2.324 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)C#Cc1ccccc1 ZINC000176024765 368196773 /nfs/dbraw/zinc/19/67/73/368196773.db2.gz OPHHCGLCLDJYFA-OAHLLOKOSA-N 0 3 270.376 2.029 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000178585747 368305845 /nfs/dbraw/zinc/30/58/45/368305845.db2.gz NKAUVLYHNFRQSH-ZDUSSCGKSA-N 0 3 286.379 2.330 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000180035248 368364519 /nfs/dbraw/zinc/36/45/19/368364519.db2.gz FUZKFAAALNHYOL-ZIAGYGMSSA-N 0 3 280.412 2.006 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)NC[C@H]1CCCN1CCOC ZINC000180805733 368396209 /nfs/dbraw/zinc/39/62/09/368396209.db2.gz MZQYWZWVABATAC-HUUCEWRRSA-N 0 3 297.443 2.141 20 30 CEEDHN CC[C@](C)(O)CN(CC#CCOC)Cc1ccccc1 ZINC000682223484 541646141 /nfs/dbraw/zinc/64/61/41/541646141.db2.gz FKHSWGSHRGZNLQ-KRWDZBQOSA-N 0 3 275.392 2.299 20 30 CEEDHN CC#CCON=C(N)c1ccccc1CN1CCCCC1 ZINC000180624587 368389545 /nfs/dbraw/zinc/38/95/45/368389545.db2.gz MEDMGQSWQCHCPU-UHFFFAOYSA-N 0 3 285.391 2.333 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)c(O)c2)CC1 ZINC000181048786 368416447 /nfs/dbraw/zinc/41/64/47/368416447.db2.gz PPROAQDCJAUKNV-UHFFFAOYSA-N 0 3 288.391 2.471 20 30 CEEDHN CC[C@H](NCc1ccc(C#N)cc1)[C@H](O)C(F)(F)F ZINC000345825624 368440997 /nfs/dbraw/zinc/44/09/97/368440997.db2.gz YFZIKZPYTZNEPS-RYUDHWBXSA-N 0 3 272.270 2.350 20 30 CEEDHN CSCC[C@@H](CO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346142683 368558259 /nfs/dbraw/zinc/55/82/59/368558259.db2.gz AOKPQEPKZNLXIB-MFKMUULPSA-N 0 3 282.384 2.462 20 30 CEEDHN CSCC[C@@H](CO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346142681 368558375 /nfs/dbraw/zinc/55/83/75/368558375.db2.gz AOKPQEPKZNLXIB-GWCFXTLKSA-N 0 3 282.384 2.462 20 30 CEEDHN C[C@@H](NCCN1CCOC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000346148521 368562441 /nfs/dbraw/zinc/56/24/41/368562441.db2.gz WZALACCOWLMHNB-QWHCGFSZSA-N 0 3 291.370 2.069 20 30 CEEDHN C=CC(C)(C)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000634096455 368540027 /nfs/dbraw/zinc/54/00/27/368540027.db2.gz URCFSZYIGBRZHN-UHFFFAOYSA-N 0 3 276.384 2.301 20 30 CEEDHN CCOC(=O)C[C@@H](C)N(C)Cc1ccc(OC)c(C#N)c1 ZINC000182651415 368574717 /nfs/dbraw/zinc/57/47/17/368574717.db2.gz ZIFRRUWWPRVCAP-GFCCVEGCSA-N 0 3 290.363 2.340 20 30 CEEDHN CCN1C[C@H](C)N(CCOc2ccccc2C#N)C[C@H]1C ZINC000346200232 368588869 /nfs/dbraw/zinc/58/88/69/368588869.db2.gz WMNXTFQCLQKPQZ-CABCVRRESA-N 0 3 287.407 2.352 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000346329498 368639324 /nfs/dbraw/zinc/63/93/24/368639324.db2.gz RROAAWBXWODLRG-QGZVFWFLSA-N 0 3 283.375 2.035 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000183940944 368660146 /nfs/dbraw/zinc/66/01/46/368660146.db2.gz SYHYQPKLMBDEMC-OLZOCXBDSA-N 0 3 251.374 2.059 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](CC)C1 ZINC000246242057 370935213 /nfs/dbraw/zinc/93/52/13/370935213.db2.gz ODQGIYNKSJTBKD-ZIAGYGMSSA-N 0 3 250.386 2.307 20 30 CEEDHN N#Cc1ccc(CN2CCN3CCCC[C@H]3C2)c(F)c1 ZINC000246267912 370938416 /nfs/dbraw/zinc/93/84/16/370938416.db2.gz ZMMZECXACFQVIG-HNNXBMFYSA-N 0 3 273.355 2.367 20 30 CEEDHN C=C(CC)CN(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000348112455 368903585 /nfs/dbraw/zinc/90/35/85/368903585.db2.gz FWNRNDFVXVCGTD-HOCLYGCPSA-N 0 3 294.418 2.231 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H]1CCC[C@@H]1CCO ZINC000348159323 368925709 /nfs/dbraw/zinc/92/57/09/368925709.db2.gz MSJDPPFGEFKLOL-UKRRQHHQSA-N 0 3 274.364 2.208 20 30 CEEDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000348165726 368930576 /nfs/dbraw/zinc/93/05/76/368930576.db2.gz YXWBXMFSBRBSFE-TZMCWYRMSA-N 0 3 291.782 2.216 20 30 CEEDHN CN(Cc1cn2ccccc2c1C#N)[C@@H]1CCN(C2CC2)C1 ZINC000348177836 368936249 /nfs/dbraw/zinc/93/62/49/368936249.db2.gz AEMXKYGJNBQJPC-MRXNPFEDSA-N 0 3 294.402 2.479 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCCS2)cc1 ZINC000348340108 369010333 /nfs/dbraw/zinc/01/03/33/369010333.db2.gz JXIYCXHTJOYBKA-HUUCEWRRSA-N 0 3 299.399 2.252 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000186686974 369019528 /nfs/dbraw/zinc/01/95/28/369019528.db2.gz HAPFBPVZEVTPBA-CMPLNLGQSA-N 0 3 253.317 2.422 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1sc(CCOC)nc1C ZINC000186687231 369020037 /nfs/dbraw/zinc/02/00/37/369020037.db2.gz GXVMGYPQBNBDJY-CMPLNLGQSA-N 0 3 284.425 2.228 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(OC)c(COC)c1 ZINC000186711153 369024866 /nfs/dbraw/zinc/02/48/66/369024866.db2.gz KJIUSGMHIPBGIG-DOMZBBRYSA-N 0 3 279.380 2.429 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(F)cc1N(C)C ZINC000186713991 369026907 /nfs/dbraw/zinc/02/69/07/369026907.db2.gz PQJMQTIZAVFATR-YPMHNXCESA-N 0 3 266.360 2.479 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)CCN(C)C1CC1 ZINC000186735295 369030373 /nfs/dbraw/zinc/03/03/73/369030373.db2.gz JGHARVDFSXJSGB-UHFFFAOYSA-N 0 3 273.380 2.093 20 30 CEEDHN CN(CCN(C)C1CC1)Cc1ccc(C#N)cc1F ZINC000186792301 369044963 /nfs/dbraw/zinc/04/49/63/369044963.db2.gz IQFCARFDSKYKIT-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN CC(=O)NCC[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000572764416 299397383 /nfs/dbraw/zinc/39/73/83/299397383.db2.gz UPIWQXMGBBIFAI-CYBMUJFWSA-N 0 3 291.420 2.358 20 30 CEEDHN CC[C@]1(CO)CCCN(CCOc2ccccc2C#N)C1 ZINC000187633717 369192115 /nfs/dbraw/zinc/19/21/15/369192115.db2.gz JHHXHYNGSJMPAG-KRWDZBQOSA-N 0 3 288.391 2.422 20 30 CEEDHN CSC[C@H](O)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000187774002 369219898 /nfs/dbraw/zinc/21/98/98/369219898.db2.gz JZFYIKOXMAOAOZ-OAHLLOKOSA-N 0 3 278.421 2.493 20 30 CEEDHN COCc1cccc(CNCc2cc(C#N)n(C)c2)c1 ZINC000189589284 369543905 /nfs/dbraw/zinc/54/39/05/369543905.db2.gz GMUCYSDXQAYHGV-UHFFFAOYSA-N 0 3 269.348 2.333 20 30 CEEDHN Cn1cc(CNCC2(O)CCCCCC2)cc1C#N ZINC000189595321 369545164 /nfs/dbraw/zinc/54/51/64/369545164.db2.gz JVAWQLIQQARETL-UHFFFAOYSA-N 0 3 261.369 2.072 20 30 CEEDHN C[C@@H](NCC#CCN[C@@H](C)c1cccnc1)c1cccnc1 ZINC000276344075 193293933 /nfs/dbraw/zinc/29/39/33/193293933.db2.gz URKAAIFZABEQOS-IYBDPMFKSA-N 0 3 294.402 2.481 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCSC[C@H](C)C1 ZINC000190449268 369625531 /nfs/dbraw/zinc/62/55/31/369625531.db2.gz LZKSZLXGUARGDW-KGLIPLIRSA-N 0 3 282.453 2.260 20 30 CEEDHN C=CCC1(C(=O)NC[C@@H](C)N(C)C2CC2)CCC1 ZINC000191149060 369684943 /nfs/dbraw/zinc/68/49/43/369684943.db2.gz ZAVQZDNPEDPSPH-GFCCVEGCSA-N 0 3 250.386 2.332 20 30 CEEDHN C[C@@H](O)CN1CCN(c2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000192800420 369855815 /nfs/dbraw/zinc/85/58/15/369855815.db2.gz GSFMPXHJYKSMEO-NWDGAFQWSA-N 0 3 293.798 2.103 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N1CCCN(CC)CC1 ZINC000637321929 369899026 /nfs/dbraw/zinc/89/90/26/369899026.db2.gz MBFKYCGDTVNMLU-UHFFFAOYSA-N 0 3 267.417 2.326 20 30 CEEDHN C=CC[C@H](CO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193284694 369916840 /nfs/dbraw/zinc/91/68/40/369916840.db2.gz MURSMLAQZNLQAF-IUODEOHRSA-N 0 3 276.336 2.499 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)N1CCCN(C)CC1 ZINC000637624011 370012275 /nfs/dbraw/zinc/01/22/75/370012275.db2.gz SLEZFJCSHPERCK-UHFFFAOYSA-N 0 3 267.417 2.326 20 30 CEEDHN COc1cc(CN[C@H]2CSC[C@@H]2C)ccc1C#N ZINC000353018685 369984238 /nfs/dbraw/zinc/98/42/38/369984238.db2.gz NHEZDNHBSCCNKD-GWCFXTLKSA-N 0 3 262.378 2.408 20 30 CEEDHN CC(C)OC[C@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000194539750 370049494 /nfs/dbraw/zinc/04/94/94/370049494.db2.gz DEMZUMCGZAYXHH-QGZVFWFLSA-N 0 3 288.391 2.309 20 30 CEEDHN C[C@@H]1CN(CCN(C)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000195305873 370124603 /nfs/dbraw/zinc/12/46/03/370124603.db2.gz ICBNMJQWXVKZBK-GASCZTMLSA-N 0 3 287.407 2.099 20 30 CEEDHN C[C@H](CNc1ncccc1C#N)N1CCC[C@@H](C)C1 ZINC000195666959 370144915 /nfs/dbraw/zinc/14/49/15/370144915.db2.gz LRJPSOHTJORHCT-CHWSQXEVSA-N 0 3 258.369 2.486 20 30 CEEDHN COc1cc(CNC[C@H](O)CC(C)(C)C)ccc1C#N ZINC000226099367 370329185 /nfs/dbraw/zinc/32/91/85/370329185.db2.gz BXIZLVLKRUHQKY-CQSZACIVSA-N 0 3 276.380 2.454 20 30 CEEDHN CCc1nnc(NC[C@H](C)N(C)C2CC2)c(C#N)c1CC ZINC000229724475 370432038 /nfs/dbraw/zinc/43/20/38/370432038.db2.gz WZDDRSJBPIXZRA-NSHDSACASA-N 0 3 287.411 2.368 20 30 CEEDHN COCCN(Cc1ccc(C#N)c(OC)c1)C1CC1 ZINC000234767499 370542145 /nfs/dbraw/zinc/54/21/45/370542145.db2.gz SYTDDQSEAPUKPK-UHFFFAOYSA-N 0 3 260.337 2.178 20 30 CEEDHN C=CC(C)(C)CCNC(=O)[C@]1(N)C[C@@H](OCC)C1(C)C ZINC000638455148 370543495 /nfs/dbraw/zinc/54/34/95/370543495.db2.gz RUXMTSIICDFUJV-MLGOLLRUSA-N 0 3 282.428 2.237 20 30 CEEDHN CN(Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C ZINC000234345930 370534392 /nfs/dbraw/zinc/53/43/92/370534392.db2.gz FZQKZOWGAWQQLV-OAHLLOKOSA-N 0 3 261.344 2.223 20 30 CEEDHN C=CCCC1(C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000355634309 370608744 /nfs/dbraw/zinc/60/87/44/370608744.db2.gz KZOUOUKYCFLYND-GFCCVEGCSA-N 0 3 250.386 2.332 20 30 CEEDHN N#Cc1ccccc1OCCN1CC[C@H]2OCCC[C@H]2C1 ZINC000246945668 371035001 /nfs/dbraw/zinc/03/50/01/371035001.db2.gz WZLYSLDEYAMNPD-DOTOQJQBSA-N 0 3 286.375 2.438 20 30 CEEDHN C=CCNC(=O)CN(CCC)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000246993746 371042551 /nfs/dbraw/zinc/04/25/51/371042551.db2.gz MSUSHACONRFFIP-ZIAGYGMSSA-N 0 3 282.428 2.204 20 30 CEEDHN CN(C(=O)NCC(C)(C)CCC#N)[C@H]1CCN(C2CC2)C1 ZINC000358741802 371199928 /nfs/dbraw/zinc/19/99/28/371199928.db2.gz ULMRZZFQUUPLIP-AWEZNQCLSA-N 0 3 292.427 2.194 20 30 CEEDHN CC(C)[C@@H](CCO)NCc1ccc(F)cc1C#N ZINC000358780058 371217513 /nfs/dbraw/zinc/21/75/13/371217513.db2.gz CTKDMWAMBKVSCI-CQSZACIVSA-N 0 3 250.317 2.194 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000248640765 371229264 /nfs/dbraw/zinc/22/92/64/371229264.db2.gz XHWSKXKYUVRKIB-ZIAGYGMSSA-N 0 3 252.402 2.437 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C(F)F)n[nH]2)CC1 ZINC000639688563 371496443 /nfs/dbraw/zinc/49/64/43/371496443.db2.gz POXSAVWZSDLTQG-UHFFFAOYSA-N 0 3 298.337 2.118 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000359993036 371497310 /nfs/dbraw/zinc/49/73/10/371497310.db2.gz JLVHSSRYRHBTJQ-MELADBBJSA-N 0 3 278.396 2.245 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](c2ccccc2C)C1 ZINC000263691350 371946461 /nfs/dbraw/zinc/94/64/61/371946461.db2.gz JVKQHRZEQKBKSE-LSDHHAIUSA-N 0 3 272.392 2.475 20 30 CEEDHN C[C@@H]1C[C@H](CO)CCN1CCOc1cccc(C#N)c1 ZINC000344124929 217060362 /nfs/dbraw/zinc/06/03/62/217060362.db2.gz HQFKVDNSFNOPII-UKRRQHHQSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@H](O)CN1CCN(c2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000266461093 372048295 /nfs/dbraw/zinc/04/82/95/372048295.db2.gz YRTLUDJZKXDCHY-RYUDHWBXSA-N 0 3 293.798 2.103 20 30 CEEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)CCC1 ZINC000361770087 372063168 /nfs/dbraw/zinc/06/31/68/372063168.db2.gz AGOVHAXZVKLFQX-CQSZACIVSA-N 0 3 262.397 2.428 20 30 CEEDHN CC(C)N(Cc1ccc(C#N)c(F)c1)C[C@@H](C)O ZINC000361827023 372087248 /nfs/dbraw/zinc/08/72/48/372087248.db2.gz BGRYUMWZIWDLQW-LLVKDONJSA-N 0 3 250.317 2.289 20 30 CEEDHN CC[C@H](C)CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000268046150 372087571 /nfs/dbraw/zinc/08/75/71/372087571.db2.gz WUUVRDNWIKABTL-ZDUSSCGKSA-N 0 3 258.369 2.121 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000683834968 541868187 /nfs/dbraw/zinc/86/81/87/541868187.db2.gz SIHORLPJEJZLIR-GJZGRUSLSA-N 0 3 277.412 2.221 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)n1cc([C@H](N)CCC)nn1 ZINC000640923047 372178467 /nfs/dbraw/zinc/17/84/67/372178467.db2.gz CNRRYIGKHVRVEF-QWHCGFSZSA-N 0 3 293.415 2.064 20 30 CEEDHN CSCC[C@H](CO)N[C@H](C)c1cccc(C#N)c1 ZINC000344305754 217142732 /nfs/dbraw/zinc/14/27/32/217142732.db2.gz VVCUEEBCBOYZBH-BXUZGUMPSA-N 0 3 264.394 2.323 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NCc1ccc(C#N)cc1F ZINC000268901319 372278669 /nfs/dbraw/zinc/27/86/69/372278669.db2.gz RDZFDKVBFZKZNP-BDJLRTHQSA-N 0 3 273.355 2.270 20 30 CEEDHN C=CCCO[C@H](C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000269246146 372396624 /nfs/dbraw/zinc/39/66/24/372396624.db2.gz ZNNOKEKIYUKSSU-GFCCVEGCSA-N 0 3 274.364 2.252 20 30 CEEDHN Cc1cc(CN2CCN(CC3CC3)CC2)ccc1C#N ZINC000362963118 372593753 /nfs/dbraw/zinc/59/37/53/372593753.db2.gz ILMNRLHNPHLWNZ-UHFFFAOYSA-N 0 3 269.392 2.394 20 30 CEEDHN CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000344453962 217196585 /nfs/dbraw/zinc/19/65/85/217196585.db2.gz BVKJXEZVMLUQRA-MFKMUULPSA-N 0 3 298.433 2.065 20 30 CEEDHN CC#CC[C@H](CO)NCc1cc2ccc(C)cc2[nH]1 ZINC000641767653 372705932 /nfs/dbraw/zinc/70/59/32/372705932.db2.gz NLJLTHGXPXITQJ-CQSZACIVSA-N 0 3 256.349 2.340 20 30 CEEDHN CC#CC[C@H](CO)NCc1cc(O)cc(C(F)(F)F)c1 ZINC000641768130 372707155 /nfs/dbraw/zinc/70/71/55/372707155.db2.gz XATIKVPBRALPBD-GFCCVEGCSA-N 0 3 287.281 2.275 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc(Oc2cnccn2)cc1 ZINC000641768571 372708999 /nfs/dbraw/zinc/70/89/99/372708999.db2.gz CPNDZMCQYAXXEP-OAHLLOKOSA-N 0 3 297.358 2.133 20 30 CEEDHN CC1(C)COCCN1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353409668 220066703 /nfs/dbraw/zinc/06/67/03/220066703.db2.gz FXFAGKVPJMCSPL-QGZVFWFLSA-N 0 3 299.418 2.246 20 30 CEEDHN C=CC[C@@H](C)NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000365523969 372883367 /nfs/dbraw/zinc/88/33/67/372883367.db2.gz KJJIGVOOJKIKSV-CQSZACIVSA-N 0 3 287.407 2.374 20 30 CEEDHN CCN1CCC(N(C(=O)CC(C)(C)C#N)C2CC2)CC1 ZINC000365826554 372947370 /nfs/dbraw/zinc/94/73/70/372947370.db2.gz 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/nfs/dbraw/zinc/45/68/87/373456887.db2.gz BKSKRZKELNCADH-PDZIMXBZSA-N 0 3 295.386 2.124 20 30 CEEDHN C=C(CNC[C@H](O)COCC(C)C)c1ccccc1 ZINC000644647342 373580497 /nfs/dbraw/zinc/58/04/97/373580497.db2.gz RHXLVJSCHRKVTD-INIZCTEOSA-N 0 3 263.381 2.323 20 30 CEEDHN C=C(C)CN(C)CCn1cc(Br)cn1 ZINC000272604857 373578031 /nfs/dbraw/zinc/57/80/31/373578031.db2.gz VTZUWHWZLBGUDQ-UHFFFAOYSA-N 0 3 258.163 2.154 20 30 CEEDHN CN1C[C@H]2CCN(CC#Cc3ccccc3Cl)[C@H]2C1 ZINC000644734941 373639521 /nfs/dbraw/zinc/63/95/21/373639521.db2.gz OSIFTTQRTDAYLQ-ZBFHGGJFSA-N 0 3 274.795 2.327 20 30 CEEDHN N#Cc1ccc(OCCN2CCC[C@H]3OCC[C@H]32)cc1 ZINC000370201602 373602532 /nfs/dbraw/zinc/60/25/32/373602532.db2.gz MQRPPJIRGRVANF-HZPDHXFCSA-N 0 3 272.348 2.190 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H](C)Cc1ccccc1C ZINC000272841861 373676647 /nfs/dbraw/zinc/67/66/47/373676647.db2.gz JQJNVJDIAJVUEZ-CQSZACIVSA-N 0 3 281.421 2.116 20 30 CEEDHN C#CCN(C[C@H](O)COCc1ccccc1Cl)C1CC1 ZINC000274243031 373853136 /nfs/dbraw/zinc/85/31/36/373853136.db2.gz YDCBYTRSIGUQAR-HNNXBMFYSA-N 0 3 293.794 2.315 20 30 CEEDHN C=CCN(C(C)=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000371590493 373928983 /nfs/dbraw/zinc/92/89/83/373928983.db2.gz NTIHAWCCDUOXHQ-INIZCTEOSA-N 0 3 258.365 2.295 20 30 CEEDHN CN(C)CCS[C@H]1CCN(c2sccc2C#N)C1=O ZINC000371941799 374007601 /nfs/dbraw/zinc/00/76/01/374007601.db2.gz DZCVFTSOKMWXPI-NSHDSACASA-N 0 3 295.433 2.020 20 30 CEEDHN C=CCC[C@H](O)CN1CC[C@H](O)c2ccccc2C1 ZINC000371822617 373986555 /nfs/dbraw/zinc/98/65/55/373986555.db2.gz MFMFWYAYZUPHCV-HOCLYGCPSA-N 0 3 261.365 2.253 20 30 CEEDHN C=C(C)CCN1CCN(c2cc(OC)ccn2)CC1 ZINC000274804258 374054994 /nfs/dbraw/zinc/05/49/94/374054994.db2.gz SDKQEVKDNDXCCK-UHFFFAOYSA-N 0 3 261.369 2.178 20 30 CEEDHN C[C@@H](NCc1cc(C#N)n(C)c1)[C@H](O)c1cccc(F)c1 ZINC000276656595 374253630 /nfs/dbraw/zinc/25/36/30/374253630.db2.gz VFBXJNOIZUBWKG-BZNIZROVSA-N 0 3 287.338 2.248 20 30 CEEDHN C=CCc1cc(CN(C)CCCCO)cc(OC)c1O ZINC000276686858 374265257 /nfs/dbraw/zinc/26/52/57/374265257.db2.gz RJJWIKDQZDDENQ-UHFFFAOYSA-N 0 3 279.380 2.334 20 30 CEEDHN C#CCCOc1ccc(CN(C)CCCCO)cc1 ZINC000276692575 374268774 /nfs/dbraw/zinc/26/87/74/374268774.db2.gz SFSMPBZGKFCNOW-UHFFFAOYSA-N 0 3 261.365 2.293 20 30 CEEDHN C#CCCN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000277098113 374403109 /nfs/dbraw/zinc/40/31/09/374403109.db2.gz SUTLINQPCBTCKK-DZGCQCFKSA-N 0 3 294.757 2.364 20 30 CEEDHN C=CCCC(=O)Nc1ccnc(OC2CCN(C)CC2)c1 ZINC000375005231 374638533 /nfs/dbraw/zinc/63/85/33/374638533.db2.gz NFWKHWLEXMEXPJ-UHFFFAOYSA-N 0 3 289.379 2.459 20 30 CEEDHN C=C(C)CN1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000374617137 374613651 /nfs/dbraw/zinc/61/36/51/374613651.db2.gz AYHCYWMFTZBTIZ-CYBMUJFWSA-N 0 3 262.353 2.298 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](n2cncn2)C1 ZINC000375332098 374653134 /nfs/dbraw/zinc/65/31/34/374653134.db2.gz KEDZVYLBPWANGW-WFASDCNBSA-N 0 3 267.336 2.158 20 30 CEEDHN CC[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(C#N)cc1 ZINC000278197048 374746598 /nfs/dbraw/zinc/74/65/98/374746598.db2.gz GBRGLLWVBIXRDC-ZFWWWQNUSA-N 0 3 292.404 2.034 20 30 CEEDHN CC[C@@H](N[C@H](C)Cn1cncn1)c1ccc(C#N)cc1 ZINC000278375139 374795967 /nfs/dbraw/zinc/79/59/67/374795967.db2.gz CNDZWHZYHITOIG-IUODEOHRSA-N 0 3 269.352 2.279 20 30 CEEDHN Cc1oc([N-]C(=O)C[NH2+][C@H]2CCC[C@H]2C)c(C#N)c1C ZINC000279363005 374848935 /nfs/dbraw/zinc/84/89/35/374848935.db2.gz WJSJPPBRAGWGOT-RNCFNFMXSA-N 0 3 275.352 2.485 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(F)c(C#N)c1 ZINC000279375707 374852864 /nfs/dbraw/zinc/85/28/64/374852864.db2.gz HLPZMHGOCBXLJB-ABAIWWIYSA-N 0 3 289.354 2.110 20 30 CEEDHN COC(=O)CC1(NCc2ccc(C#N)o2)CCCC1 ZINC000279705459 374960238 /nfs/dbraw/zinc/96/02/38/374960238.db2.gz RVQNHPMLOSPGNH-UHFFFAOYSA-N 0 3 262.309 2.117 20 30 CEEDHN CC(C)[C@@]1(CO)CCN(CCOc2ccccc2C#N)C1 ZINC000377642395 374908614 /nfs/dbraw/zinc/90/86/14/374908614.db2.gz BCIDKTARJWXDBK-KRWDZBQOSA-N 0 3 288.391 2.277 20 30 CEEDHN C[C@@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc(C#N)s1 ZINC000378438136 375099311 /nfs/dbraw/zinc/09/93/11/375099311.db2.gz IHXZYROHFVWNOS-DGCLKSJQSA-N 0 3 291.420 2.134 20 30 CEEDHN C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc(C#N)cc1 ZINC000378455619 375104970 /nfs/dbraw/zinc/10/49/70/375104970.db2.gz RQNWKDFZEFEFQV-NOXHYTERSA-N 0 3 283.375 2.218 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(Cl)cnn1C ZINC000280595564 375255160 /nfs/dbraw/zinc/25/51/60/375255160.db2.gz IVEQHTSRFSHDMH-ZWNOBZJWSA-N 0 3 269.776 2.144 20 30 CEEDHN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc(F)c(C#N)c1 ZINC000386274395 375256731 /nfs/dbraw/zinc/25/67/31/375256731.db2.gz MVMGFZUBEXJZJL-IUODEOHRSA-N 0 3 262.328 2.290 20 30 CEEDHN C=CCN1CC[C@H](N2CC[C@@H](c3ccccc3)C2)C1=O ZINC000281136467 375359597 /nfs/dbraw/zinc/35/95/97/375359597.db2.gz AFBBBZZEMLQZRN-CVEARBPZSA-N 0 3 270.376 2.263 20 30 CEEDHN C[C@@H](CNc1ccncc1C#N)N(C)Cc1ccccc1 ZINC000399437012 375363895 /nfs/dbraw/zinc/36/38/95/375363895.db2.gz NGERVDMDPBKQKL-AWEZNQCLSA-N 0 3 280.375 2.308 20 30 CEEDHN CCOC1CC(CN2CCN(c3ccccc3C#N)CC2)C1 ZINC000285896960 375843884 /nfs/dbraw/zinc/84/38/84/375843884.db2.gz GODMJGSPUCERQM-UHFFFAOYSA-N 0 3 299.418 2.495 20 30 CEEDHN C=C(C)COCCNC(=O)Nc1ccccc1CNC ZINC000415903580 376029012 /nfs/dbraw/zinc/02/90/12/376029012.db2.gz AGASGRFBTNAGLI-UHFFFAOYSA-N 0 3 277.368 2.120 20 30 CEEDHN CN1CCN(c2ccc(C#N)nc2)C[C@H]1Cc1ccccc1 ZINC000286815403 376074775 /nfs/dbraw/zinc/07/47/75/376074775.db2.gz WLPZRWMGVVNLJH-GOSISDBHSA-N 0 3 292.386 2.316 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2C[C@H]2C2CC2)cc1 ZINC000556690341 376463474 /nfs/dbraw/zinc/46/34/74/376463474.db2.gz ZRFQEKVNDOCLHX-IKGGRYGDSA-N 0 3 293.370 2.403 20 30 CEEDHN CC(C)[C@@H](O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305804102 376496991 /nfs/dbraw/zinc/49/69/91/376496991.db2.gz FSFQERCSPKBCGW-YGRLFVJLSA-N 0 3 250.317 2.365 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)CC1=CCCOC1 ZINC000289821949 376517385 /nfs/dbraw/zinc/51/73/85/376517385.db2.gz OFJIHKSZOWEIID-UHFFFAOYSA-N 0 3 299.418 2.269 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000264201356 190096166 /nfs/dbraw/zinc/09/61/66/190096166.db2.gz PPYNLZDTXWOPPU-WBMJQRKESA-N 0 3 288.366 2.394 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)NCC1CCC(C#N)CC1 ZINC000420860960 376728346 /nfs/dbraw/zinc/72/83/46/376728346.db2.gz JATXTDLIRSKILF-YMAMQOFZSA-N 0 3 292.427 2.052 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Cc2cccs2)CC1 ZINC000264464094 190111688 /nfs/dbraw/zinc/11/16/88/190111688.db2.gz GYTFKLNEAMHOOO-UHFFFAOYSA-N 0 3 278.421 2.447 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](C2CCCC2)C1 ZINC000420963548 376747869 /nfs/dbraw/zinc/74/78/69/376747869.db2.gz NQZJQFPMOKYOHG-HIFRSBDPSA-N 0 3 277.412 2.259 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](CCO)CC1 ZINC000421008641 376785503 /nfs/dbraw/zinc/78/55/03/376785503.db2.gz DNSVRGKMBQVFJQ-JKSUJKDBSA-N 0 3 296.455 2.284 20 30 CEEDHN COC1([C@H](C)NCc2ccc(F)c(C#N)c2)CCOCC1 ZINC000421023108 376790107 /nfs/dbraw/zinc/79/01/07/376790107.db2.gz AUYIJKYDUXIYII-LBPRGKRZSA-N 0 3 292.354 2.371 20 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CEEDHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)N1CCCC1 ZINC000563189141 377119478 /nfs/dbraw/zinc/11/94/78/377119478.db2.gz ZYGFZRRHOJWMMZ-RRQGHBQHSA-N 0 3 297.402 2.262 20 30 CEEDHN C[C@H]1C[C@H](N2CCCC2)CN1c1cccnc1C#N ZINC000291165308 377101214 /nfs/dbraw/zinc/10/12/14/377101214.db2.gz QIHXJPHWHDVHJH-STQMWFEESA-N 0 3 256.353 2.016 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000291455595 377194641 /nfs/dbraw/zinc/19/46/41/377194641.db2.gz CUZDZNZXPKPBGJ-LLVKDONJSA-N 0 3 288.313 2.408 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCc2occc2C)CC1 ZINC000292161929 377225833 /nfs/dbraw/zinc/22/58/33/377225833.db2.gz DCVJTFKNRDJMTA-UHFFFAOYSA-N 0 3 291.395 2.428 20 30 CEEDHN C=CCN1CCC(NC(=O)CCc2cncc(C)c2)CC1 ZINC000292196312 377229946 /nfs/dbraw/zinc/22/99/46/377229946.db2.gz AIIOFTNWWVILPN-UHFFFAOYSA-N 0 3 287.407 2.089 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](CSC)C1 ZINC000292453382 377247177 /nfs/dbraw/zinc/24/71/77/377247177.db2.gz POWRJEVOIFEQRN-CQSZACIVSA-N 0 3 282.453 2.262 20 30 CEEDHN C#CCN(C)CCCNc1cc(Br)ccn1 ZINC000292850577 377313294 /nfs/dbraw/zinc/31/32/94/377313294.db2.gz RIMXQPWIHLDEPI-UHFFFAOYSA-N 0 3 282.185 2.211 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)N1[C@H](C)CC[C@H]1C ZINC000424975502 377318972 /nfs/dbraw/zinc/31/89/72/377318972.db2.gz HWRQMKDZXFLVCF-XGFWRYKXSA-N 0 3 263.385 2.056 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCc3cccnc32)CC1 ZINC000425169743 377333864 /nfs/dbraw/zinc/33/38/64/377333864.db2.gz PNUWETWLQHIFBM-INIZCTEOSA-N 0 3 299.418 2.268 20 30 CEEDHN CSC[C@H]1CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000292794720 377285749 /nfs/dbraw/zinc/28/57/49/377285749.db2.gz MUBYQDOHKYCENG-LBPRGKRZSA-N 0 3 263.410 2.472 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000426027177 377391386 /nfs/dbraw/zinc/39/13/86/377391386.db2.gz GLCGRDQUONATIS-HIFRSBDPSA-N 0 3 297.468 2.174 20 30 CEEDHN C#CCNC(=O)CCN1C[C@H](C)C[C@H]1c1ccccc1F ZINC000292904192 377343346 /nfs/dbraw/zinc/34/33/46/377343346.db2.gz WHRFYVBHAPYNLW-CJNGLKHVSA-N 0 3 288.366 2.348 20 30 CEEDHN CC[C@H](NCCN1CCCC1=O)c1ccc(C#N)cc1 ZINC000564574315 377409225 /nfs/dbraw/zinc/40/92/25/377409225.db2.gz BEPKTHRUAYIPCB-HNNXBMFYSA-N 0 3 271.364 2.221 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CCC[C@H]3CCC[C@@H]32)c1 ZINC000331387142 377409490 /nfs/dbraw/zinc/40/94/90/377409490.db2.gz IFCINUFFOCBANE-SJORKVTESA-N 0 3 297.402 2.439 20 30 CEEDHN COC[C@@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000428054201 377480655 /nfs/dbraw/zinc/48/06/55/377480655.db2.gz NAHVNWJUNUVALO-JOYOIKCWSA-N 0 3 266.728 2.303 20 30 CEEDHN C=CCc1cc(CN2CC[C@](O)(CC)C2)cc(OC)c1O ZINC000428451168 377493474 /nfs/dbraw/zinc/49/34/74/377493474.db2.gz YVVHFNWSOCWZGW-QGZVFWFLSA-N 0 3 291.391 2.476 20 30 CEEDHN C#CCCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000265025425 190153208 /nfs/dbraw/zinc/15/32/08/190153208.db2.gz YZEGJIYUTOGQRJ-INIZCTEOSA-N 0 3 298.430 2.469 20 30 CEEDHN C[C@@H](C(=O)N[C@]1(C#N)CC1(C)C)N1[C@H](C)CC[C@@H]1C ZINC000331990865 377497845 /nfs/dbraw/zinc/49/78/45/377497845.db2.gz YWFBWGYOEANVQX-OXIQGZBJSA-N 0 3 263.385 2.056 20 30 CEEDHN C=C(C)CN1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000428779341 377500557 /nfs/dbraw/zinc/50/05/57/377500557.db2.gz LBMFLIBBXPYMAS-MRXNPFEDSA-N 0 3 259.349 2.379 20 30 CEEDHN N#CC(=C([O-])c1c[nH]c(C(F)(F)F)c1)c1ccncn1 ZINC000429500301 377517304 /nfs/dbraw/zinc/51/73/04/377517304.db2.gz CBUQPPIFZGFXDS-MRVPVSSYSA-N 0 3 280.209 2.314 20 30 CEEDHN N#CC(C(=O)c1c[nH]c(C(F)(F)F)c1)c1ccncn1 ZINC000429500301 377517311 /nfs/dbraw/zinc/51/73/11/377517311.db2.gz CBUQPPIFZGFXDS-MRVPVSSYSA-N 0 3 280.209 2.314 20 30 CEEDHN COCCOc1ccc(CNCC2(CC#N)CC2)cc1 ZINC000430045232 377524404 /nfs/dbraw/zinc/52/44/04/377524404.db2.gz JNMDGEGTAJITLG-UHFFFAOYSA-N 0 3 274.364 2.495 20 30 CEEDHN C=CCC1(C(=O)N(CCOC)CCN(C)C)CCCC1 ZINC000565015918 377532268 /nfs/dbraw/zinc/53/22/68/377532268.db2.gz TWVIXURCABPKEJ-UHFFFAOYSA-N 0 3 282.428 2.160 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@@](C)(C(=O)NC)C1 ZINC000430773165 377551064 /nfs/dbraw/zinc/55/10/64/377551064.db2.gz QVXNGMIAYLLLPO-QGZVFWFLSA-N 0 3 288.391 2.209 20 30 CEEDHN C=C(CC)CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000565347585 377645952 /nfs/dbraw/zinc/64/59/52/377645952.db2.gz KEEWLHUFYFJASL-MRXNPFEDSA-N 0 3 287.407 2.376 20 30 CEEDHN C=C(C)CCNCCS(=O)(=O)c1ccc(F)cc1 ZINC000566910977 377782399 /nfs/dbraw/zinc/78/23/99/377782399.db2.gz OJLVLHRANSZWNC-UHFFFAOYSA-N 0 3 271.357 2.155 20 30 CEEDHN CN(Cc1cnn(C)c1)C(=O)C(C#N)CCc1ccccc1 ZINC000433230139 377782577 /nfs/dbraw/zinc/78/25/77/377782577.db2.gz TXPIAPWAAYUSRB-MRXNPFEDSA-N 0 3 296.374 2.151 20 30 CEEDHN C=CCCCCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433395886 377792113 /nfs/dbraw/zinc/79/21/13/377792113.db2.gz UJFNPIDOTIFYQQ-HNNXBMFYSA-N 0 3 297.443 2.143 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(C)c(C)s1 ZINC000294038516 377881236 /nfs/dbraw/zinc/88/12/36/377881236.db2.gz SFZSPUBMVZXJKA-UHFFFAOYSA-N 0 3 264.394 2.050 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437466268 377843724 /nfs/dbraw/zinc/84/37/24/377843724.db2.gz ISCCRGJREXJLPC-JTQLQIEISA-N 0 3 273.292 2.245 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC000437492751 377846162 /nfs/dbraw/zinc/84/61/62/377846162.db2.gz DGTMWSFBARIPIU-XHSDSOJGSA-N 0 3 294.439 2.348 20 30 CEEDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 ZINC000294090629 377901220 /nfs/dbraw/zinc/90/12/20/377901220.db2.gz KFBLWNLCNYNYBN-QGZVFWFLSA-N 0 3 283.375 2.116 20 30 CEEDHN COC[C@@]1(C)CCN(CCOc2ccccc2C#N)C1 ZINC000294326811 377981817 /nfs/dbraw/zinc/98/18/17/377981817.db2.gz XFZXZRZWXMMOJF-INIZCTEOSA-N 0 3 274.364 2.295 20 30 CEEDHN CS(=O)(=O)Cc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442793312 377995875 /nfs/dbraw/zinc/99/58/75/377995875.db2.gz OGCIPZJOOIXJRO-IUODEOHRSA-N 0 3 292.404 2.013 20 30 CEEDHN CC#CCN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000265981656 190220433 /nfs/dbraw/zinc/22/04/33/190220433.db2.gz FRLNCMMHHUODAH-UHFFFAOYSA-N 0 3 281.359 2.232 20 30 CEEDHN CC(C)(C#N)CCCCN1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000444688410 378078897 /nfs/dbraw/zinc/07/88/97/378078897.db2.gz JMYWFSDDQHFFOC-CQSZACIVSA-N 0 3 292.427 2.242 20 30 CEEDHN C#CCN(C)CCCN[C@H](C)c1cccnc1Cl ZINC000294859712 378023326 /nfs/dbraw/zinc/02/33/26/378023326.db2.gz BWUYTWZZHOLDJO-GFCCVEGCSA-N 0 3 265.788 2.341 20 30 CEEDHN C=CCC[C@H](CO)NCc1cnc([C@@H]2CCCO2)s1 ZINC000449695197 378222636 /nfs/dbraw/zinc/22/26/36/378222636.db2.gz DKGOHHQCQGRDQD-YPMHNXCESA-N 0 3 282.409 2.411 20 30 CEEDHN C=CCCCC[C@H](C)N[C@H](CO)c1cnn(C)c1 ZINC000449207522 378199313 /nfs/dbraw/zinc/19/93/13/378199313.db2.gz OKFSGNCARLMKFC-GXTWGEPZSA-N 0 3 251.374 2.178 20 30 CEEDHN C=CCCCNC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000447953780 378164289 /nfs/dbraw/zinc/16/42/89/378164289.db2.gz JSWHKIHMHUBYDZ-ZIAGYGMSSA-N 0 3 267.417 2.372 20 30 CEEDHN C#CCC(CC#C)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000295453877 378165776 /nfs/dbraw/zinc/16/57/76/378165776.db2.gz MFSDRKDFWXJUAE-KRWDZBQOSA-N 0 3 288.435 2.276 20 30 CEEDHN C[C@@H]1C[C@]1(C#N)C(=O)NCCCN(C)Cc1ccccc1 ZINC000448607814 378175827 /nfs/dbraw/zinc/17/58/27/378175827.db2.gz ZOJAOYRQDCIZPY-RHSMWYFYSA-N 0 3 285.391 2.174 20 30 CEEDHN CCc1ccc2nccc(NCCn3cnc(C#N)n3)c2c1 ZINC000295676273 378260491 /nfs/dbraw/zinc/26/04/91/378260491.db2.gz LBKVOZCLUPORDO-UHFFFAOYSA-N 0 3 292.346 2.372 20 30 CEEDHN Cc1cc(C#N)nc(NC2CCN(C3CCC3)CC2)n1 ZINC000295934251 378360258 /nfs/dbraw/zinc/36/02/58/378360258.db2.gz HLHKSOCSMXCKIG-UHFFFAOYSA-N 0 3 271.368 2.086 20 30 CEEDHN C=CCNC(=O)CN1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000278400774 193965613 /nfs/dbraw/zinc/96/56/13/193965613.db2.gz GEMSYQJMUSXSPG-GDBMZVCRSA-N 0 3 272.392 2.475 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(F)ncc1F ZINC000296965769 378660408 /nfs/dbraw/zinc/66/04/08/378660408.db2.gz UOJFBHAJGIUHAC-IINYFYTJSA-N 0 3 268.307 2.431 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCc2ccccc2[C@H]1C ZINC000297022404 378661248 /nfs/dbraw/zinc/66/12/48/378661248.db2.gz VHHXCNCUZIETAU-OAHLLOKOSA-N 0 3 299.418 2.270 20 30 CEEDHN C[C@H]1C[C@H](C)CN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000298457688 378732795 /nfs/dbraw/zinc/73/27/95/378732795.db2.gz KJLSEKLWMOIESA-KBPBESRZSA-N 0 3 285.391 2.152 20 30 CEEDHN C=CCN1CC[C@@H](N[C@@H](C)c2ccc3n[nH]cc3c2)C1=O ZINC000507245575 379099667 /nfs/dbraw/zinc/09/96/67/379099667.db2.gz BRTVLRSEWSSAAC-XHDPSFHLSA-N 0 3 284.363 2.000 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(F)(F)F ZINC000299686900 379107089 /nfs/dbraw/zinc/10/70/89/379107089.db2.gz XNOXSHZNEIJOMW-UHFFFAOYSA-N 0 3 299.296 2.011 20 30 CEEDHN C[C@@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C[C@@H]1C ZINC000347577471 218280157 /nfs/dbraw/zinc/28/01/57/218280157.db2.gz GGXODOOFEQJUJX-KGLIPLIRSA-N 0 3 285.391 2.152 20 30 CEEDHN CC(=O)NCC[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000347646105 218304968 /nfs/dbraw/zinc/30/49/68/218304968.db2.gz NNAUPXOOLLTWEE-MRXNPFEDSA-N 0 3 285.391 2.296 20 30 CEEDHN C#CCN(CC)CCC(=O)NCc1ccccc1Cl ZINC000266882481 190287134 /nfs/dbraw/zinc/28/71/34/190287134.db2.gz ALKUDMAHGLPSBL-UHFFFAOYSA-N 0 3 278.783 2.301 20 30 CEEDHN C=CCC[C@H](O)CN1CCc2c(cccc2NC(C)=O)C1 ZINC000305096021 379635050 /nfs/dbraw/zinc/63/50/50/379635050.db2.gz SLZLGDQOHDALLV-HNNXBMFYSA-N 0 3 288.391 2.330 20 30 CEEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)cc2OC)[C@@H](C)C1 ZINC000347708870 218329426 /nfs/dbraw/zinc/32/94/26/218329426.db2.gz SLSIWIWOGRVRHD-KBPBESRZSA-N 0 3 287.407 2.481 20 30 CEEDHN CCN1C[C@@H](C)N(CCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC000347711189 218329481 /nfs/dbraw/zinc/32/94/81/218329481.db2.gz YTALFEBBMFULLB-HUUCEWRRSA-N 0 3 287.407 2.352 20 30 CEEDHN C[C@@H]1CN(CC(=O)NC2(C#N)CCC2)[C@H]2CCCC[C@@H]12 ZINC000526291320 379705545 /nfs/dbraw/zinc/70/55/45/379705545.db2.gz XABRJUCMEWRSLB-RDBSUJKOSA-N 0 3 275.396 2.059 20 30 CEEDHN CN(CCNc1ccc(C#N)nc1)Cc1ccccc1 ZINC000267413104 190328500 /nfs/dbraw/zinc/32/85/00/190328500.db2.gz RYVBLHSECSCRMJ-UHFFFAOYSA-N 0 3 266.348 2.497 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)CC(C)(C)C#N ZINC000457932376 379961890 /nfs/dbraw/zinc/96/18/90/379961890.db2.gz LYZYHFUNKHZZRA-KGLIPLIRSA-N 0 3 294.443 2.298 20 30 CEEDHN COCCC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000528576676 380023095 /nfs/dbraw/zinc/02/30/95/380023095.db2.gz XHNGZBKTVWJDTL-QGZVFWFLSA-N 0 3 288.391 2.340 20 30 CEEDHN C=CCc1cc(CN2C[C@H](O)C[C@@H]2C)cc(OC)c1O ZINC000471809194 380072384 /nfs/dbraw/zinc/07/23/84/380072384.db2.gz HIXHWQWBEMAXEM-SMDDNHRTSA-N 0 3 277.364 2.084 20 30 CEEDHN C=CCOc1ccc(CN(C)CCCCO)cc1OC ZINC000471825077 380072834 /nfs/dbraw/zinc/07/28/34/380072834.db2.gz SBEUVBUQZQIYEM-UHFFFAOYSA-N 0 3 279.380 2.464 20 30 CEEDHN C[C@H]1C[C@@H]1CN1CCN(c2ccccc2C#N)CC1 ZINC000488302769 380091950 /nfs/dbraw/zinc/09/19/50/380091950.db2.gz VVNMAYBICMLTJU-DZGCQCFKSA-N 0 3 255.365 2.336 20 30 CEEDHN CC(C)(C#N)CCCN1CCC[C@H](N2CCCC2=O)C1 ZINC000530870920 380204507 /nfs/dbraw/zinc/20/45/07/380204507.db2.gz AOHLKXFAHNCEHF-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCC(CC=C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000532325892 380213302 /nfs/dbraw/zinc/21/33/02/380213302.db2.gz PLDADADHJSXWIW-CYBMUJFWSA-N 0 3 250.386 2.213 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCCc1ccc(F)cc1 ZINC000491537491 380330100 /nfs/dbraw/zinc/33/01/00/380330100.db2.gz RDSHDZXKBAFVSJ-UHFFFAOYSA-N 0 3 290.382 2.220 20 30 CEEDHN C#Cc1ccc(CN2CCC(OCCOC)CC2)cc1 ZINC000279079499 194275016 /nfs/dbraw/zinc/27/50/16/194275016.db2.gz SLPTTZHJLXMIGG-UHFFFAOYSA-N 0 3 273.376 2.295 20 30 CEEDHN C[C@@H](CNc1ccncc1C#N)N1CCc2ccccc2C1 ZINC000548481453 380524694 /nfs/dbraw/zinc/52/46/94/380524694.db2.gz MLBWIOXDFIIVAV-AWEZNQCLSA-N 0 3 292.386 2.234 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C/c2ncccc2C)CC1 ZINC000492626464 380632721 /nfs/dbraw/zinc/63/27/21/380632721.db2.gz SIAVKGLQYSIOEM-BQYQJAHWSA-N 0 3 297.402 2.007 20 30 CEEDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1cccc(C#N)c1F ZINC000334749917 207013023 /nfs/dbraw/zinc/01/30/23/207013023.db2.gz ZOMKFBVJTUIZJR-NWDGAFQWSA-N 0 3 261.344 2.222 20 30 CEEDHN C=CCC[C@@H](O)CN[C@@H](CO)c1sccc1C ZINC000494657007 381162016 /nfs/dbraw/zinc/16/20/16/381162016.db2.gz RIELQZXWTDTHKM-NEPJUHHUSA-N 0 3 255.383 2.007 20 30 CEEDHN C#CCCN1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495321676 381170298 /nfs/dbraw/zinc/17/02/98/381170298.db2.gz HJTPKOPPKUVCEI-INIZCTEOSA-N 0 3 278.396 2.343 20 30 CEEDHN CCOC(=O)N1CCC[C@H]([C@H](C)NCC2(C#N)CC2)C1 ZINC000495543759 381174786 /nfs/dbraw/zinc/17/47/86/381174786.db2.gz RUGQMGUZGUOUAF-STQMWFEESA-N 0 3 279.384 2.137 20 30 CEEDHN C[C@H](NCC1(C#N)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495815703 381188117 /nfs/dbraw/zinc/18/81/17/381188117.db2.gz BYGHCIPVLXHTEP-NSHDSACASA-N 0 3 279.384 2.135 20 30 CEEDHN N#CCCCCN1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000495997478 381193771 /nfs/dbraw/zinc/19/37/71/381193771.db2.gz FWNUTHBDCAHQSY-CQSZACIVSA-N 0 3 279.384 2.423 20 30 CEEDHN CC#CCN1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496027127 381194232 /nfs/dbraw/zinc/19/42/32/381194232.db2.gz GYRLMOUPYIRKFW-KGLIPLIRSA-N 0 3 280.412 2.492 20 30 CEEDHN C=CC1CCN(C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496208777 381203712 /nfs/dbraw/zinc/20/37/12/381203712.db2.gz TUZVMAGWLCISLH-AWEZNQCLSA-N 0 3 298.427 2.112 20 30 CEEDHN C=C(C)CN1CCCC[C@H]1COC(=O)NC1CC1 ZINC000496658831 381223534 /nfs/dbraw/zinc/22/35/34/381223534.db2.gz AYHPZXLKWWYXBR-ZDUSSCGKSA-N 0 3 252.358 2.306 20 30 CEEDHN CC#CCCN1CCCC[C@H]1COC(=O)NCC ZINC000496753282 381226150 /nfs/dbraw/zinc/22/61/50/381226150.db2.gz BDIZHNAVXSZDBJ-ZDUSSCGKSA-N 0 3 252.358 2.000 20 30 CEEDHN C=C[C@H]1CCCCN1C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496925160 381233589 /nfs/dbraw/zinc/23/35/89/381233589.db2.gz NOAWNRJNIFSHAC-KBPBESRZSA-N 0 3 298.427 2.255 20 30 CEEDHN Cc1cc(C#N)nc(NCCN(C)Cc2ccc(F)cc2)n1 ZINC000288200451 197025782 /nfs/dbraw/zinc/02/57/82/197025782.db2.gz CMELCTKWGISXBB-UHFFFAOYSA-N 0 3 299.353 2.340 20 30 CEEDHN O[C@@H]1CC[C@@H]2CN(CC#Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000344034132 285324262 /nfs/dbraw/zinc/32/42/62/285324262.db2.gz GKDXZXDMPIETLV-FVQBIDKESA-N 0 3 275.779 2.394 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NC[C@H]2COc3ccccc3O2)C1 ZINC000447508665 260029098 /nfs/dbraw/zinc/02/90/98/260029098.db2.gz CMXHJERPWCBILJ-RDBSUJKOSA-N 0 3 272.348 2.498 20 30 CEEDHN COC[C@H](NC(=O)C(C)C#N)c1cccc(Cl)c1 ZINC000356607322 260044291 /nfs/dbraw/zinc/04/42/91/260044291.db2.gz XKETWPJKBSVJEM-SKDRFNHKSA-N 0 3 266.728 2.303 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1COc2cccc(Cl)c21 ZINC000356628842 260060651 /nfs/dbraw/zinc/06/06/51/260060651.db2.gz YSKSNOPUNAYTQX-VXNVDRBHSA-N 0 3 250.685 2.049 20 30 CEEDHN COc1cc(CN[C@H](CO)CC2CCC2)ccc1C#N ZINC000281772463 195375894 /nfs/dbraw/zinc/37/58/94/195375894.db2.gz SKIWWCLDLSDJLP-HNNXBMFYSA-N 0 3 274.364 2.208 20 30 CEEDHN COc1cc(CNCCN2CCC(C)CC2)ccc1C#N ZINC000281807169 195389403 /nfs/dbraw/zinc/38/94/03/195389403.db2.gz VSCMSNXJLZGQHA-UHFFFAOYSA-N 0 3 287.407 2.388 20 30 CEEDHN COc1cc(CN[C@@H]2C[C@H](C)N(C3CC3)C2)ccc1C#N ZINC000281826640 195398130 /nfs/dbraw/zinc/39/81/30/195398130.db2.gz XIHJKJBTXAPPKY-SWLSCSKDSA-N 0 3 285.391 2.282 20 30 CEEDHN C[C@H](NCCOCC(F)F)c1cccc(C#N)c1 ZINC000189843223 130030094 /nfs/dbraw/zinc/03/00/94/130030094.db2.gz VLTHQYPBPLRNPB-JTQLQIEISA-N 0 3 254.280 2.491 20 30 CEEDHN N#Cc1cc(C(=O)N2CC[C@H](N3CCCC3)C2)ccc1F ZINC000366766021 130395051 /nfs/dbraw/zinc/39/50/51/130395051.db2.gz WJTVYHQVDYLHSI-AWEZNQCLSA-N 0 3 287.338 2.008 20 30 CEEDHN C=CCN1CCC(NC(=O)NC(C)(C)COC(C)C)CC1 ZINC000413249479 394512736 /nfs/dbraw/zinc/51/27/36/394512736.db2.gz YUTAOGHEADCKFB-UHFFFAOYSA-N 0 3 297.443 2.140 20 30 CEEDHN C=CCN1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000301410396 394460423 /nfs/dbraw/zinc/46/04/23/394460423.db2.gz XTMMJEYFYOZRNF-UHFFFAOYSA-N 0 3 276.340 2.361 20 30 CEEDHN Cc1cc(NC2CCN(C)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413031464 394469040 /nfs/dbraw/zinc/46/90/40/394469040.db2.gz ITAVFZAGXHBESA-UHFFFAOYSA-N 0 3 274.324 2.281 20 30 CEEDHN C=CCN1CCC(Nc2noc(C(C)(C)C)n2)CC1 ZINC000302116022 394472825 /nfs/dbraw/zinc/47/28/25/394472825.db2.gz CSZLCLXZAHYKDW-UHFFFAOYSA-N 0 3 264.373 2.429 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)CNC[C@H]1CCCO1 ZINC000236658727 394485789 /nfs/dbraw/zinc/48/57/89/394485789.db2.gz HIZONCAQBBNEIS-CYBMUJFWSA-N 0 3 294.420 2.031 20 30 CEEDHN C=CCN1CCC(Nc2cc(NC3CC3)ncn2)CC1 ZINC000413127107 394488606 /nfs/dbraw/zinc/48/86/06/394488606.db2.gz LVSHVELDZGVLGK-UHFFFAOYSA-N 0 3 273.384 2.113 20 30 CEEDHN CCN1CCCC[C@H]1CNc1ncc(C#N)cc1F ZINC000413151323 394493167 /nfs/dbraw/zinc/49/31/67/394493167.db2.gz YXOTYZHLORIHMA-LBPRGKRZSA-N 0 3 262.332 2.379 20 30 CEEDHN CN(C(=O)C1(C#N)CCCCC1)C1CCN(C)CC1 ZINC000044386679 394505620 /nfs/dbraw/zinc/50/56/20/394505620.db2.gz LICJXUVARZDOOX-UHFFFAOYSA-N 0 3 263.385 2.013 20 30 CEEDHN Cc1cc(N(C)CCN(C)C2CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413226793 394508124 /nfs/dbraw/zinc/50/81/24/394508124.db2.gz IIMPPDZBKUAEMX-UHFFFAOYSA-N 0 3 288.351 2.305 20 30 CEEDHN Cc1c(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)nnn1C(C)C ZINC000328924309 394557387 /nfs/dbraw/zinc/55/73/87/394557387.db2.gz VJXSBLGOQMSLOL-CMPLNLGQSA-N 0 3 291.399 2.097 20 30 CEEDHN C=CCCC1(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000356199771 394559861 /nfs/dbraw/zinc/55/98/61/394559861.db2.gz ORHYLZQLMGFECO-CHWSQXEVSA-N 0 3 250.386 2.332 20 30 CEEDHN O=C(NCCc1csc(=O)[nH]1)C1CCN(C2CC2)CC1 ZINC000329532256 394570518 /nfs/dbraw/zinc/57/05/18/394570518.db2.gz XALYIROIJIEQPK-UHFFFAOYSA-N 0 3 295.408 2.222 20 30 CEEDHN CSC[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCc2nc[nH]c2C1 ZINC000329538690 394570889 /nfs/dbraw/zinc/57/08/89/394570889.db2.gz CCAOFLABENUOFA-QWRGUYRKSA-N 0 3 294.424 2.008 20 30 CEEDHN CSC[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1 ZINC000329538690 394570892 /nfs/dbraw/zinc/57/08/92/394570892.db2.gz CCAOFLABENUOFA-QWRGUYRKSA-N 0 3 294.424 2.008 20 30 CEEDHN C[C@H](NC(=O)N[C@@H]1CCc2[nH]cnc2C1)C1CCCC1 ZINC000329547609 394571602 /nfs/dbraw/zinc/57/16/02/394571602.db2.gz HMWHILZTJHQCHF-CMPLNLGQSA-N 0 3 276.384 2.349 20 30 CEEDHN C[C@@H](C(=O)N(C)C[C@H]1CCCN1C)c1cccc(C#N)c1 ZINC000421710781 394574102 /nfs/dbraw/zinc/57/41/02/394574102.db2.gz MIBWPUYENFYJAS-CZUORRHYSA-N 0 3 285.391 2.214 20 30 CEEDHN C[C@H]1[C@H](N2CCCC2)CCN1c1ncc(C#N)cc1F ZINC000413298306 394520838 /nfs/dbraw/zinc/52/08/38/394520838.db2.gz SILLSEDHENMRNF-SMDDNHRTSA-N 0 3 274.343 2.155 20 30 CEEDHN N#Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CCCC2)C1 ZINC000072089591 394591228 /nfs/dbraw/zinc/59/12/28/394591228.db2.gz ZCUOIENVRNFFFW-CQSZACIVSA-N 0 3 286.335 2.141 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000334209772 394664964 /nfs/dbraw/zinc/66/49/64/394664964.db2.gz YCIYUVMUHLTMRL-UWVGGRQHSA-N 0 3 295.745 2.334 20 30 CEEDHN CCn1nc(C)c(C(=O)NCCN2CCCCC2)c1C ZINC000330436086 394609329 /nfs/dbraw/zinc/60/93/29/394609329.db2.gz BDOSFINZFAZNDJ-UHFFFAOYSA-N 0 3 278.400 2.310 20 30 CEEDHN COCc1nc(C)c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)s1 ZINC000330496776 394615830 /nfs/dbraw/zinc/61/58/30/394615830.db2.gz YKMGZRJZSSFZQQ-MWLCHTKSSA-N 0 3 297.424 2.385 20 30 CEEDHN C=CCN1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000334245923 394668110 /nfs/dbraw/zinc/66/81/10/394668110.db2.gz UAVPTSURTUDFDI-CQSZACIVSA-N 0 3 262.397 2.287 20 30 CEEDHN C=CCC1(C(=O)N[C@H](CO)CN2CCCCC2)CCCC1 ZINC000413801670 394641367 /nfs/dbraw/zinc/64/13/67/394641367.db2.gz SKSZSCSQEFVQGT-HNNXBMFYSA-N 0 3 294.439 2.086 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc(CC#N)cc2)CCN1C ZINC000270329057 394730896 /nfs/dbraw/zinc/73/08/96/394730896.db2.gz MWRYARPMJSQMIP-BBRMVZONSA-N 0 3 285.391 2.307 20 30 CEEDHN C[C@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000267850066 394685842 /nfs/dbraw/zinc/68/58/42/394685842.db2.gz WJQSKGBPWFIMKV-ZENOOKHLSA-N 0 3 283.375 2.251 20 30 CEEDHN CCN(CCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000271256853 394753579 /nfs/dbraw/zinc/75/35/79/394753579.db2.gz ITZKBMPXKSWWKO-INIZCTEOSA-N 0 3 257.381 2.496 20 30 CEEDHN CC#CCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000359467901 394755961 /nfs/dbraw/zinc/75/59/61/394755961.db2.gz NCWZNBUHJGLFQB-ZBFHGGJFSA-N 0 3 287.407 2.309 20 30 CEEDHN CC(C)[C@@H]1CCCCN1CC(=O)N(CCC#N)CCC#N ZINC000117349555 394758652 /nfs/dbraw/zinc/75/86/52/394758652.db2.gz UYCVTHNLSPBYTH-HNNXBMFYSA-N 0 3 290.411 2.153 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)CCC1 ZINC000359889040 394779206 /nfs/dbraw/zinc/77/92/06/394779206.db2.gz WWUKPPBZZRGPAE-CHWSQXEVSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000360149334 394791262 /nfs/dbraw/zinc/79/12/62/394791262.db2.gz OMRCSMVDBXNQBZ-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN CC#CC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000277775823 394824619 /nfs/dbraw/zinc/82/46/19/394824619.db2.gz TXEYBVJKPNWVGN-HNNXBMFYSA-N 0 3 270.376 2.133 20 30 CEEDHN N#CCSCCCN1CCC[C@@H](c2ccncn2)C1 ZINC000360503994 394802121 /nfs/dbraw/zinc/80/21/21/394802121.db2.gz PELZQDWCZBKALE-CYBMUJFWSA-N 0 3 276.409 2.303 20 30 CEEDHN C=C1CCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000335836285 394802698 /nfs/dbraw/zinc/80/26/98/394802698.db2.gz HAUTZLDRFATKOE-CQSZACIVSA-N 0 3 250.386 2.430 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCC(=O)NC1 ZINC000360654769 394804546 /nfs/dbraw/zinc/80/45/46/394804546.db2.gz ACIWLPXGHLWTIY-GDBMZVCRSA-N 0 3 283.375 2.194 20 30 CEEDHN CCC[C@H]1CN(CCCCC#N)CCN1CCOC ZINC000121849235 394804958 /nfs/dbraw/zinc/80/49/58/394804958.db2.gz SVDMGNBTIZTGGP-HNNXBMFYSA-N 0 3 267.417 2.113 20 30 CEEDHN C=CCN1CCC(NC(=O)NC2C(C)(C)C2(C)C)CC1 ZINC000360670380 394805540 /nfs/dbraw/zinc/80/55/40/394805540.db2.gz VPRHMZBNNQRILY-UHFFFAOYSA-N 0 3 279.428 2.371 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](N2CCCC2=O)C1 ZINC000276125186 394810871 /nfs/dbraw/zinc/81/08/71/394810871.db2.gz ZJWFGRREZLROAK-CJNGLKHVSA-N 0 3 283.375 2.316 20 30 CEEDHN C=C(CC)CN[C@@H](CC)c1cccc(S(N)(=O)=O)c1 ZINC000361146543 394817867 /nfs/dbraw/zinc/81/78/67/394817867.db2.gz GRTKWKZVBNSDIE-AWEZNQCLSA-N 0 3 282.409 2.341 20 30 CEEDHN CCN1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C#N)c2)C[C@H]1C ZINC000361706655 394835183 /nfs/dbraw/zinc/83/51/83/394835183.db2.gz BRUUQHKVEJYJIV-VXGBXAGGSA-N 0 3 288.351 2.385 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H](C)CC[S@](C)=O ZINC000125465791 394843375 /nfs/dbraw/zinc/84/33/75/394843375.db2.gz FDWHFNNWOYYXOH-ORAYPTAESA-N 0 3 281.421 2.498 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000336373295 394848613 /nfs/dbraw/zinc/84/86/13/394848613.db2.gz DMMSXMZKCJNXSB-HUUCEWRRSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](C2CC2)C1 ZINC000362412730 394860104 /nfs/dbraw/zinc/86/01/04/394860104.db2.gz HSBKHPSXQIXQJI-AWEZNQCLSA-N 0 3 250.386 2.143 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)NCC#Cc1cccc(F)c1 ZINC000338156307 394907639 /nfs/dbraw/zinc/90/76/39/394907639.db2.gz XGAFXQJKESQZHF-MRXNPFEDSA-N 0 3 288.366 2.168 20 30 CEEDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc(CC#N)cc1 ZINC000338297928 394912391 /nfs/dbraw/zinc/91/23/91/394912391.db2.gz UVHWXWMPFVVAMO-CHWSQXEVSA-N 0 3 274.364 2.430 20 30 CEEDHN C[C@@H](C#N)CN(C(=O)CN1[C@H](C)CC[C@@H]1C)C1CC1 ZINC000338347842 394915415 /nfs/dbraw/zinc/91/54/15/394915415.db2.gz MEAXPFZSVQEAHH-RWMBFGLXSA-N 0 3 263.385 2.010 20 30 CEEDHN C[C@H](Cn1cncn1)NCc1cccc(OCCCC#N)c1 ZINC000338956914 394934631 /nfs/dbraw/zinc/93/46/31/394934631.db2.gz LSEXDPBUOHRXHV-CQSZACIVSA-N 0 3 299.378 2.139 20 30 CEEDHN N#CCCOCCN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000339015439 394936243 /nfs/dbraw/zinc/93/62/43/394936243.db2.gz QLZTWIHKRZRNJG-QGZVFWFLSA-N 0 3 288.391 2.250 20 30 CEEDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1CCOCCC#N ZINC000339055474 394938929 /nfs/dbraw/zinc/93/89/29/394938929.db2.gz BOWMPKHSYGSYIT-ZDUSSCGKSA-N 0 3 262.357 2.094 20 30 CEEDHN C[C@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(C#N)cc1 ZINC000283935863 394939044 /nfs/dbraw/zinc/93/90/44/394939044.db2.gz CUZRBVRSZLLYTI-GXTWGEPZSA-N 0 3 292.404 2.034 20 30 CEEDHN C=CCOCCN(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000339053687 394939499 /nfs/dbraw/zinc/93/94/99/394939499.db2.gz FWPFXPVMIDVDRB-UONOGXRCSA-N 0 3 271.426 2.176 20 30 CEEDHN C=CCOCCN1CC[C@H](n2ncc3ccccc32)C1 ZINC000339081090 394940214 /nfs/dbraw/zinc/94/02/14/394940214.db2.gz JBXUHJXIZGAIRU-HNNXBMFYSA-N 0 3 271.364 2.486 20 30 CEEDHN COc1ccc([C@@H](C)NCCOCCC#N)cc1F ZINC000339064079 394940278 /nfs/dbraw/zinc/94/02/78/394940278.db2.gz PKNBQQMOTFSMOE-LLVKDONJSA-N 0 3 266.316 2.415 20 30 CEEDHN C=CCOCCN[C@@H](COC)c1ccc(F)cc1 ZINC000339077931 394940298 /nfs/dbraw/zinc/94/02/98/394940298.db2.gz ZRHKNBCOYWHQSH-AWEZNQCLSA-N 0 3 253.317 2.305 20 30 CEEDHN C=C(C)CN(C)C[C@@H](O)COc1ccc(CCOC)cc1 ZINC000339078003 394940797 /nfs/dbraw/zinc/94/07/97/394940797.db2.gz CEQSJFOSFWDQMA-MRXNPFEDSA-N 0 3 293.407 2.123 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000284578863 394946132 /nfs/dbraw/zinc/94/61/32/394946132.db2.gz ZDWZSUQMXLTCCJ-HUUCEWRRSA-N 0 3 288.391 2.124 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000342967065 395027945 /nfs/dbraw/zinc/02/79/45/395027945.db2.gz TUFLNJABXADEJN-STQMWFEESA-N 0 3 265.401 2.267 20 30 CEEDHN C=CCCOCCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000415996576 394995297 /nfs/dbraw/zinc/99/52/97/394995297.db2.gz NCNKZCIMQZWAKB-UHFFFAOYSA-N 0 3 275.352 2.004 20 30 CEEDHN C=C(C)CN1CCC(N[C@@H](C)c2cnccn2)CC1 ZINC000152988052 394999747 /nfs/dbraw/zinc/99/97/47/394999747.db2.gz FQXMQNFDHVFRFH-ZDUSSCGKSA-N 0 3 260.385 2.168 20 30 CEEDHN CN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CCCN(C)C1 ZINC000153655177 395013388 /nfs/dbraw/zinc/01/33/88/395013388.db2.gz GISZEXCBSUAFED-MRXNPFEDSA-N 0 3 285.391 2.043 20 30 CEEDHN Cc1cc(C#N)nc(N[C@H](C)CN2CCC[C@H](C)C2)n1 ZINC000286192870 395016178 /nfs/dbraw/zinc/01/61/78/395016178.db2.gz FEYPWYHGMSZIHR-WCQYABFASA-N 0 3 273.384 2.189 20 30 CEEDHN Cc1nsc(N2CC[C@H]3[C@@H](CCCN3C)C2)c1C#N ZINC000286329541 395019304 /nfs/dbraw/zinc/01/93/04/395019304.db2.gz VFTHHWZVHXZABR-AAEUAGOBSA-N 0 3 276.409 2.244 20 30 CEEDHN Cc1nsc(N2CC[C@@H]3[C@@H](CCCN3C)C2)c1C#N ZINC000286329547 395020430 /nfs/dbraw/zinc/02/04/30/395020430.db2.gz VFTHHWZVHXZABR-WCQYABFASA-N 0 3 276.409 2.244 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2ccnc(OC(F)F)c2)C1 ZINC000342805446 395022577 /nfs/dbraw/zinc/02/25/77/395022577.db2.gz GYQMYXMBWSZLQN-MWLCHTKSSA-N 0 3 267.279 2.465 20 30 CEEDHN C=CCCOCCCCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000342866950 395025432 /nfs/dbraw/zinc/02/54/32/395025432.db2.gz MXOQHRROLWMVPS-MRXNPFEDSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCCOCCCCC(=O)N1CCN(C)CC[C@@H]1C ZINC000342866545 395025503 /nfs/dbraw/zinc/02/55/03/395025503.db2.gz FARJQKIYFKBEDB-HNNXBMFYSA-N 0 3 282.428 2.302 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)C1(C#N)CCC1 ZINC000134942440 394960610 /nfs/dbraw/zinc/96/06/10/394960610.db2.gz NTAWVMBAFXWVON-ZDUSSCGKSA-N 0 3 263.385 2.061 20 30 CEEDHN CC#CCCN1CCC(CC(=O)N2CCCC2)CC1 ZINC000155102605 395025650 /nfs/dbraw/zinc/02/56/50/395025650.db2.gz IYPOTLJIAFBNKX-UHFFFAOYSA-N 0 3 262.397 2.124 20 30 CEEDHN CC#CCNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000135977690 394968490 /nfs/dbraw/zinc/96/84/90/394968490.db2.gz RYIBSXPPPWLCIS-UHFFFAOYSA-N 0 3 287.407 2.303 20 30 CEEDHN C=CCCOCCNC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000339772094 394970816 /nfs/dbraw/zinc/97/08/16/394970816.db2.gz MPYHCXDGYRYXGR-GASCZTMLSA-N 0 3 297.443 2.141 20 30 CEEDHN C=CC[C@H](C)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415887335 394971748 /nfs/dbraw/zinc/97/17/48/394971748.db2.gz WWETVNTXGJGDHN-NSHDSACASA-N 0 3 259.353 2.418 20 30 CEEDHN CC(C#N)C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000339921427 394975005 /nfs/dbraw/zinc/97/50/05/394975005.db2.gz GTGAOEVWKQKJFP-DOMZBBRYSA-N 0 3 290.338 2.493 20 30 CEEDHN C#CCCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000373109970 395054223 /nfs/dbraw/zinc/05/42/23/395054223.db2.gz QZLXLLZFZLTNIA-UHFFFAOYSA-N 0 3 284.403 2.428 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N1CCCN(CC)CC1 ZINC000373215660 395057037 /nfs/dbraw/zinc/05/70/37/395057037.db2.gz JOYFSCZPZUDHTK-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN C#CCCOc1ccc(CN2CC[C@@](O)(C3CC3)C2)cc1 ZINC000373326631 395058979 /nfs/dbraw/zinc/05/89/79/395058979.db2.gz DHNNSRGASULXMU-SFHVURJKSA-N 0 3 285.387 2.436 20 30 CEEDHN C#C[C@H](NCc1ccc(N(C)CCOC)nc1)C(C)(C)C ZINC000289247157 395072679 /nfs/dbraw/zinc/07/26/79/395072679.db2.gz ASBSKUIIRCABSM-HNNXBMFYSA-N 0 3 289.423 2.302 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ocnc2C2CC2)CC1 ZINC000289373419 395075625 /nfs/dbraw/zinc/07/56/25/395075625.db2.gz LUGNCZKFXCMDRC-UHFFFAOYSA-N 0 3 289.379 2.322 20 30 CEEDHN C#C[C@@H](NCc1ccccc1N1CCOCC1)C(C)C ZINC000289373341 395075871 /nfs/dbraw/zinc/07/58/71/395075871.db2.gz LTLMBZBSYJVWBX-MRXNPFEDSA-N 0 3 272.392 2.271 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000374278073 395078510 /nfs/dbraw/zinc/07/85/10/395078510.db2.gz DGWSKVPRNBAJBW-MELADBBJSA-N 0 3 265.401 2.077 20 30 CEEDHN C=C[C@H](CO)N[C@@H](C)c1cc2c(C)nn(C)c2s1 ZINC000289707889 395084836 /nfs/dbraw/zinc/08/48/36/395084836.db2.gz IXLJBUBNWNKDJU-VHSXEESVSA-N 0 3 265.382 2.141 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(OC(C)C)c(OC)c1 ZINC000289780381 395086056 /nfs/dbraw/zinc/08/60/56/395086056.db2.gz JNESTOYFOTVRCH-CYBMUJFWSA-N 0 3 265.353 2.119 20 30 CEEDHN N#Cc1ccc(N2CCCN(C3CC3)CC2)c(F)c1 ZINC000171831477 395098729 /nfs/dbraw/zinc/09/87/29/395098729.db2.gz XFHLSEIFQGBMLJ-UHFFFAOYSA-N 0 3 259.328 2.372 20 30 CEEDHN C=CC[C@@H](C(=O)N[C@@H](C)CN(C)C)c1ccccc1 ZINC000287256543 395036075 /nfs/dbraw/zinc/03/60/75/395036075.db2.gz RHANDAHVFQPFKE-DZGCQCFKSA-N 0 3 260.381 2.413 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC)N(C)C ZINC000287222645 395036322 /nfs/dbraw/zinc/03/63/22/395036322.db2.gz ITQYMCXFUCCHAG-JKSUJKDBSA-N 0 3 272.392 2.077 20 30 CEEDHN C=CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000287383255 395040144 /nfs/dbraw/zinc/04/01/44/395040144.db2.gz UUDLCDXHSMXSEL-UKRRQHHQSA-N 0 3 273.380 2.135 20 30 CEEDHN Cc1cccc(C(C)(C)NCC(=O)NC2(C#N)CCC2)c1 ZINC000346954479 395114586 /nfs/dbraw/zinc/11/45/86/395114586.db2.gz GISHVXKABQKJJQ-UHFFFAOYSA-N 0 3 285.391 2.382 20 30 CEEDHN CC(C)[C@@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346969474 395114751 /nfs/dbraw/zinc/11/47/51/395114751.db2.gz FPPRLUZIIAHOGY-UONOGXRCSA-N 0 3 277.412 2.305 20 30 CEEDHN CCC(C)(C)[C@@H]1CCCN1CC(=O)NC1(C#N)CCC1 ZINC000346982865 395116268 /nfs/dbraw/zinc/11/62/68/395116268.db2.gz OHSTXBDIWKDEDD-ZDUSSCGKSA-N 0 3 277.412 2.449 20 30 CEEDHN C=C(Br)CN1CC[C@H](N2CCCC2)[C@H]1C ZINC000376546119 395125166 /nfs/dbraw/zinc/12/51/66/395125166.db2.gz OHPVLUZBVXKAFE-NEPJUHHUSA-N 0 3 273.218 2.454 20 30 CEEDHN CCCCCCCN1CCc2nn(C)c(=O)cc2C1 ZINC000172793886 395105709 /nfs/dbraw/zinc/10/57/09/395105709.db2.gz JYEPIOQWKXCRNE-UHFFFAOYSA-N 0 3 263.385 2.109 20 30 CEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(CC#N)c2)C1 ZINC000178313460 395164621 /nfs/dbraw/zinc/16/46/21/395164621.db2.gz QWEHEFWNEGEZHS-SJORKVTESA-N 0 3 297.402 2.309 20 30 CEEDHN COCC(C)(C)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430178489 395163337 /nfs/dbraw/zinc/16/33/37/395163337.db2.gz OLUNREZHQLGCLN-CQSZACIVSA-N 0 3 289.379 2.079 20 30 CEEDHN CC1=C[C@H](C)CN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000430266176 395164105 /nfs/dbraw/zinc/16/41/05/395164105.db2.gz GOIWPDHPDSYTRV-XJKSGUPXSA-N 0 3 286.375 2.196 20 30 CEEDHN Cc1nc(N(C)C[C@@H]2CCCN(C)C2)ccc1C#N ZINC000291807983 395165543 /nfs/dbraw/zinc/16/55/43/395165543.db2.gz FEBXTLVHOZUPBZ-CYBMUJFWSA-N 0 3 258.369 2.040 20 30 CEEDHN C[C@H](CC(=O)NCCc1ccccc1)NCC1(CC#N)CC1 ZINC000430748890 395166654 /nfs/dbraw/zinc/16/66/54/395166654.db2.gz RTOZDUUASXSTGY-OAHLLOKOSA-N 0 3 299.418 2.407 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178504289 395168395 /nfs/dbraw/zinc/16/83/95/395168395.db2.gz ZOUPWVHMTJPRLC-NVXWUHKLSA-N 0 3 299.418 2.273 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000350039693 395179772 /nfs/dbraw/zinc/17/97/72/395179772.db2.gz YULVZKQISQELHC-GZBFAFLISA-N 0 3 265.401 2.163 20 30 CEEDHN C=C(C)CCN(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000351855515 395237539 /nfs/dbraw/zinc/23/75/39/395237539.db2.gz GJNOERDKQAPQMV-STQMWFEESA-N 0 3 259.415 2.240 20 30 CEEDHN CCN(CCC#N)C(=O)CN[C@H](C)c1ccc(C)cc1 ZINC000182313415 395238643 /nfs/dbraw/zinc/23/86/43/395238643.db2.gz CLKHPGYAWHAMBH-CQSZACIVSA-N 0 3 273.380 2.408 20 30 CEEDHN N#Cc1c(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cn2ccccc12 ZINC000398897619 395239358 /nfs/dbraw/zinc/23/93/58/395239358.db2.gz LHBPTKWWAPQMAP-OFQRWUPVSA-N 0 3 295.386 2.404 20 30 CEEDHN C#C[C@H](NCc1ccc2c(c1)NC(=O)CO2)C(C)(C)C ZINC000293855104 395253952 /nfs/dbraw/zinc/25/39/52/395253952.db2.gz HYVNMVIRDTTXMZ-AWEZNQCLSA-N 0 3 272.348 2.155 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCc2sccc21 ZINC000394314312 395205397 /nfs/dbraw/zinc/20/53/97/395205397.db2.gz FIODNILHMZTKRX-CQSZACIVSA-N 0 3 290.432 2.239 20 30 CEEDHN C=CCCC[C@H](C)N[C@@H](Cc1ccccc1)C(N)=O ZINC000351382422 395212549 /nfs/dbraw/zinc/21/25/49/395212549.db2.gz IYQTZZLYHFPITN-ZFWWWQNUSA-N 0 3 260.381 2.417 20 30 CEEDHN C=CCCC[C@H](C)N[C@H](Cc1ccccc1)C(N)=O ZINC000351382419 395212579 /nfs/dbraw/zinc/21/25/79/395212579.db2.gz IYQTZZLYHFPITN-DZGCQCFKSA-N 0 3 260.381 2.417 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(OC)cc1F ZINC000186689552 395293279 /nfs/dbraw/zinc/29/32/79/395293279.db2.gz MFZDBWSPDJOIIT-GHMZBOCLSA-N 0 3 253.317 2.422 20 30 CEEDHN COC[C@H](NCc1ccc(C#N)cc1F)C1CCOCC1 ZINC000187974704 395309884 /nfs/dbraw/zinc/30/98/84/395309884.db2.gz TYLNCKRMXPUWNM-INIZCTEOSA-N 0 3 292.354 2.229 20 30 CEEDHN C=CCC(C)(C)CN[C@@H](c1nnc[nH]1)c1cccnc1 ZINC000293870178 395254866 /nfs/dbraw/zinc/25/48/66/395254866.db2.gz ZPMOQYYEHKGORO-CYBMUJFWSA-N 0 3 271.368 2.481 20 30 CEEDHN N#CC1(F)CCN(CCCCCn2cccn2)CC1 ZINC000352467800 395256913 /nfs/dbraw/zinc/25/69/13/395256913.db2.gz NYXIUZQHLRAMBC-UHFFFAOYSA-N 0 3 264.348 2.381 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(F)c(SC)c1 ZINC000293903416 395257946 /nfs/dbraw/zinc/25/79/46/395257946.db2.gz FKGREFJMOSLODW-UHFFFAOYSA-N 0 3 294.395 2.233 20 30 CEEDHN C=CCC(C)(C)CNC(=O)C12CCCN1CCC2 ZINC000352478403 395258927 /nfs/dbraw/zinc/25/89/27/395258927.db2.gz WOEUOOQPLJUTNR-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN CC(C)[C@H](NCCCC(C)(C)C#N)c1nncn1C ZINC000352484513 395260214 /nfs/dbraw/zinc/26/02/14/395260214.db2.gz QHEJNQPWOAALFU-LBPRGKRZSA-N 0 3 263.389 2.432 20 30 CEEDHN N#CC1(F)CCN(CCCN2CCC(F)(C#N)CC2)CC1 ZINC000352492191 395260439 /nfs/dbraw/zinc/26/04/39/395260439.db2.gz WOWKRTSZLCEHPF-UHFFFAOYSA-N 0 3 296.365 2.032 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cccc(C)c1Cl ZINC000293977326 395261290 /nfs/dbraw/zinc/26/12/90/395261290.db2.gz MQDLJRTXMORKRB-UHFFFAOYSA-N 0 3 278.783 2.333 20 30 CEEDHN C#CCN(C)CCCNC(=O)C(C)(C)c1ccc(C)cc1 ZINC000294024371 395262967 /nfs/dbraw/zinc/26/29/67/395262967.db2.gz QUPOASCINOWZRE-UHFFFAOYSA-N 0 3 286.419 2.344 20 30 CEEDHN N#Cc1cccc(CN[C@@H](CO)C2CCCC2)c1F ZINC000352707541 395266735 /nfs/dbraw/zinc/26/67/35/395266735.db2.gz SMKWPHDVXREUNC-AWEZNQCLSA-N 0 3 262.328 2.338 20 30 CEEDHN C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(CC#N)cc1 ZINC000352889298 395274212 /nfs/dbraw/zinc/27/42/12/395274212.db2.gz XYYIWKNNYGWIPI-MAUKXSAKSA-N 0 3 299.418 2.048 20 30 CEEDHN C=CCOCC(=O)Nc1ccc(CN(C)C)cc1F ZINC000412560656 395361587 /nfs/dbraw/zinc/36/15/87/395361587.db2.gz QOBLWXWTQIMPEP-UHFFFAOYSA-N 0 3 266.316 2.028 20 30 CEEDHN CCCCN(CCO)Cc1ccc(C#N)c(F)c1 ZINC000191992573 395368115 /nfs/dbraw/zinc/36/81/15/395368115.db2.gz RSJVZQCWAQWOBT-UHFFFAOYSA-N 0 3 250.317 2.292 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2cccc(CN3CCOCC3)c2)C1 ZINC000442708586 395391170 /nfs/dbraw/zinc/39/11/70/395391170.db2.gz JSXQPONMBWCERU-YJBOKZPZSA-N 0 3 299.418 2.301 20 30 CEEDHN Cc1ccc(C(=O)NCCN[C@@H]2CC[C@@H](C#N)C2)cc1F ZINC000442724411 395392470 /nfs/dbraw/zinc/39/24/70/395392470.db2.gz ZKIWTMNNNYMLFM-TZMCWYRMSA-N 0 3 289.354 2.146 20 30 CEEDHN COc1cc([C@@H](C)N[C@@H](C)CCC#N)ccc1OCCO ZINC000411460098 395328183 /nfs/dbraw/zinc/32/81/83/395328183.db2.gz QURVDNKXGJWFRW-QWHCGFSZSA-N 0 3 292.379 2.409 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1ccnc(OC)c1 ZINC000411642628 395333480 /nfs/dbraw/zinc/33/34/80/395333480.db2.gz NQCPMXBLCVQSTG-UHFFFAOYSA-N 0 3 263.385 2.030 20 30 CEEDHN COc1cc(CN(C[C@H](C)O)C(C)C)ccc1C#N ZINC000442883169 395397086 /nfs/dbraw/zinc/39/70/86/395397086.db2.gz GNZJRDOKSNLXSK-LBPRGKRZSA-N 0 3 262.353 2.158 20 30 CEEDHN CCN1CCC(NC(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000435036865 395345878 /nfs/dbraw/zinc/34/58/78/395345878.db2.gz VCQWDIWSMHIGIT-UHFFFAOYSA-N 0 3 297.402 2.190 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCCNC(=O)CC2CCCCC2)C1 ZINC000442869083 395397452 /nfs/dbraw/zinc/39/74/52/395397452.db2.gz HYMOBHCJYUKJNO-HUUCEWRRSA-N 0 3 277.412 2.355 20 30 CEEDHN Cc1cc(CNCC[C@H](C)[S@](C)=O)ccc1C#N ZINC000443984777 395407803 /nfs/dbraw/zinc/40/78/03/395407803.db2.gz SWCICABKZYZUGZ-SGTLLEGYSA-N 0 3 264.394 2.113 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCC#Cc1ccccc1 ZINC000355407507 395438425 /nfs/dbraw/zinc/43/84/25/395438425.db2.gz HFJBHZQBFLSDBF-GASCZTMLSA-N 0 3 270.376 2.027 20 30 CEEDHN C=CC[C@H](Cc1ccccc1)NC[C@@H](C)S(C)(=O)=O ZINC000573084080 395599746 /nfs/dbraw/zinc/59/97/46/395599746.db2.gz KTIQPVAFMNFVQN-UKRRQHHQSA-N 0 3 281.421 2.197 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C)[C@H](C)[C@@H]1C ZINC000573549349 395610468 /nfs/dbraw/zinc/61/04/68/395610468.db2.gz UKXYTTGIUJFRIZ-IHRRRGAJSA-N 0 3 252.402 2.387 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)N1CCC(CCC#N)CC1 ZINC000573611913 395611488 /nfs/dbraw/zinc/61/14/88/395611488.db2.gz VDRNOFUQCFVEMA-HNNXBMFYSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCCCCCNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000573695749 395615682 /nfs/dbraw/zinc/61/56/82/395615682.db2.gz HLPCEMDQHZVQIZ-MRXNPFEDSA-N 0 3 294.439 2.492 20 30 CEEDHN C=CCCCCCNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000568188792 395550289 /nfs/dbraw/zinc/55/02/89/395550289.db2.gz RUOPIOQMFDMQIB-CABCVRRESA-N 0 3 279.428 2.468 20 30 CEEDHN N#Cc1ccccc1CN[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449510210 395552289 /nfs/dbraw/zinc/55/22/89/395552289.db2.gz PTRQAIIWNJIHLR-DLBZAZTESA-N 0 3 270.376 2.445 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc([C@H]2CCCO2)s1 ZINC000449522342 395552944 /nfs/dbraw/zinc/55/29/44/395552944.db2.gz VHVLDVOJNCDMDW-FRRDWIJNSA-N 0 3 280.393 2.428 20 30 CEEDHN C=CCN(CC=C)[C@H](CNc1nccc(C#N)n1)C(C)C ZINC000450246588 395570138 /nfs/dbraw/zinc/57/01/38/395570138.db2.gz RHSCSKKVFUNIOE-OAHLLOKOSA-N 0 3 285.395 2.459 20 30 CEEDHN CCC[C@@H]1CN(CC2(C#N)CCC2)CCN1CCOC ZINC000450646937 395573513 /nfs/dbraw/zinc/57/35/13/395573513.db2.gz VZOBOFBSNLSJBR-OAHLLOKOSA-N 0 3 279.428 2.113 20 30 CEEDHN CC[C@@H]1CN(CC)CCN1c1ccc(C#N)c(C)n1 ZINC000450821816 395578423 /nfs/dbraw/zinc/57/84/23/395578423.db2.gz AKTJJIRNYAORQX-CQSZACIVSA-N 0 3 258.369 2.182 20 30 CEEDHN COC[C@](C)(O)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000453255124 395628051 /nfs/dbraw/zinc/62/80/51/395628051.db2.gz LHTDXILJIGPYEH-XHDPSFHLSA-N 0 3 280.343 2.135 20 30 CEEDHN C[C@@H](NC(=O)NC(C)(C)CN(C)C)c1ccc(C#N)cc1 ZINC000454566756 395628938 /nfs/dbraw/zinc/62/89/38/395628938.db2.gz PMRWKIRVKVRJFN-GFCCVEGCSA-N 0 3 288.395 2.259 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C#N)c(F)c1 ZINC000456823839 395634166 /nfs/dbraw/zinc/63/41/66/395634166.db2.gz ADVPKKULKCZBEM-TXEJJXNPSA-N 0 3 289.354 2.186 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000491545693 395670078 /nfs/dbraw/zinc/67/00/78/395670078.db2.gz JBALQPNPRZECGM-ZBTGYSDGSA-N 0 3 283.375 2.172 20 30 CEEDHN C#CCN(C)CCCNc1cccc(-n2cccn2)c1C#N ZINC000491708414 395670382 /nfs/dbraw/zinc/67/03/82/395670382.db2.gz PVICJCKCSSMNGO-UHFFFAOYSA-N 0 3 293.374 2.111 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC2(CC1)OCc1ccccc12 ZINC000649351471 396126569 /nfs/dbraw/zinc/12/65/69/396126569.db2.gz GCJOVNMGPQHZIR-MRXNPFEDSA-N 0 3 273.376 2.445 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC12CCCC2 ZINC000649655750 396221824 /nfs/dbraw/zinc/22/18/24/396221824.db2.gz NQHSHPDWVYKSLP-UHFFFAOYSA-N 0 3 250.386 2.430 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CC2(C[C@H]1C)CCOCC2 ZINC000646102329 396293965 /nfs/dbraw/zinc/29/39/65/396293965.db2.gz VSLSDGKDIKTDJK-OAHLLOKOSA-N 0 3 292.423 2.078 20 30 CEEDHN COC[C@H]1CCCCN1CCOc1ccccc1C#N ZINC000307764937 400339680 /nfs/dbraw/zinc/33/96/80/400339680.db2.gz OKPQGBULAFIYFM-OAHLLOKOSA-N 0 3 274.364 2.438 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)c2ncc3c(c2C#N)CCC3)C1 ZINC000425271985 400574370 /nfs/dbraw/zinc/57/43/70/400574370.db2.gz WAULOHRDXGVYCG-CQSZACIVSA-N 0 3 284.407 2.361 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@@H](CCCO)C1 ZINC000452115743 400581534 /nfs/dbraw/zinc/58/15/34/400581534.db2.gz FVZOITLPFSOCTK-CYBMUJFWSA-N 0 3 274.364 2.161 20 30 CEEDHN C#CCNC(=O)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000491156168 400589785 /nfs/dbraw/zinc/58/97/85/400589785.db2.gz YLZDYWSZHKXAGZ-CQSZACIVSA-N 0 3 295.386 2.081 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cnnn1-c1ccccc1 ZINC000651792721 401392469 /nfs/dbraw/zinc/39/24/69/401392469.db2.gz DAWUUKIKTIXXRW-PBHICJAKSA-N 0 3 298.390 2.338 20 30 CEEDHN C=CCOc1ccc(CN(C)[C@H](C)CCO)cc1OC ZINC000652045699 401440831 /nfs/dbraw/zinc/44/08/31/401440831.db2.gz DHJQHPOLUBFMTP-CYBMUJFWSA-N 0 3 279.380 2.463 20 30 CEEDHN COCC1(C(=O)NC2CCN(C3CC3)CC2)CCOCC1 ZINC000329806605 292206591 /nfs/dbraw/zinc/20/65/91/292206591.db2.gz BDDNZTPVXDBBJG-UHFFFAOYSA-N 0 3 296.411 2.013 20 30 CEEDHN C[C@@H](C(=O)N(CCN(C)C)C1CC1)c1cccc(C#N)c1 ZINC000360654308 155344942 /nfs/dbraw/zinc/34/49/42/155344942.db2.gz UBTPSHBBKBLOIQ-CYBMUJFWSA-N 0 3 285.391 2.214 20 30 CEEDHN Cn1cc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)cc1C#N ZINC000191387871 153172156 /nfs/dbraw/zinc/17/21/56/153172156.db2.gz FVAFRDXOWLXBMO-ZBFHGGJFSA-N 0 3 273.380 2.024 20 30 CEEDHN CO[C@@]1(C)CCCN(CCOc2cccc(C#N)c2)C1 ZINC000230264927 153387406 /nfs/dbraw/zinc/38/74/06/153387406.db2.gz PWXWAXGSPAKNNB-INIZCTEOSA-N 0 3 274.364 2.438 20 30 CEEDHN CCN1CCC[C@@H]1CNc1c(C#N)cccc1C#N ZINC000302816973 154194057 /nfs/dbraw/zinc/19/40/57/154194057.db2.gz BWJNGQYTKBISRX-CQSZACIVSA-N 0 3 254.337 2.326 20 30 CEEDHN Cn1cc(CNC[C@]2(O)CCCC(C)(C)C2)cc1C#N ZINC000359688092 155109251 /nfs/dbraw/zinc/10/92/51/155109251.db2.gz QLSZPSBQMHWLPA-INIZCTEOSA-N 0 3 275.396 2.318 20 30 CEEDHN CC[C@H](NCc1cc(C#N)n(C)c1)c1c(C)nn(C)c1C ZINC000359730228 155122811 /nfs/dbraw/zinc/12/28/11/155122811.db2.gz LNIYTDAQIWAFMH-HNNXBMFYSA-N 0 3 285.395 2.488 20 30 CEEDHN C[C@H]1CCOCCN1CCOc1ccc(C#N)cc1 ZINC000367657855 156221942 /nfs/dbraw/zinc/22/19/42/156221942.db2.gz GJXUUQQIPBXEDL-ZDUSSCGKSA-N 0 3 260.337 2.048 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CCCO[C@@H]3CCC[C@H]32)cc1 ZINC000368451569 156346373 /nfs/dbraw/zinc/34/63/73/156346373.db2.gz TUGHFMSVSUWBSU-BRWVUGGUSA-N 0 3 286.375 2.235 20 30 CEEDHN N#Cc1ccc2ncc(CN3CC[C@]4(C3)CCCOC4)n2c1 ZINC000375300656 157075093 /nfs/dbraw/zinc/07/50/93/157075093.db2.gz BXKKFFBFNIAINO-KRWDZBQOSA-N 0 3 296.374 2.208 20 30 CEEDHN CN(CCN1CCCC1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000539784975 298253783 /nfs/dbraw/zinc/25/37/83/298253783.db2.gz IEJLLURILXMUAT-UHFFFAOYSA-N 0 3 291.782 2.379 20 30 CEEDHN CCc1nnc(NCCN2CCCCC2)c(C#N)c1CC ZINC000167385384 162356852 /nfs/dbraw/zinc/35/68/52/162356852.db2.gz OXXHTRQZNGWXES-UHFFFAOYSA-N 0 3 287.411 2.371 20 30 CEEDHN C[C@@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(C#N)cc1 ZINC000180160308 287017958 /nfs/dbraw/zinc/01/79/58/287017958.db2.gz DTBNAUIFUAYPSB-GFCCVEGCSA-N 0 3 292.404 2.034 20 30 CEEDHN CN(C)C(=O)C1(CNCc2cc(C#N)cs2)CCCC1 ZINC000177700110 165206560 /nfs/dbraw/zinc/20/65/60/165206560.db2.gz YGUHJAOUTWCWPD-UHFFFAOYSA-N 0 3 291.420 2.358 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)C2(N)Cc3ccccc3C2)C1 ZINC000662857100 414776998 /nfs/dbraw/zinc/77/69/98/414776998.db2.gz DLSWHAJXPRYQBY-AWEZNQCLSA-N 0 3 284.403 2.297 20 30 CEEDHN C=CCN(CCOC)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660403523 414805234 /nfs/dbraw/zinc/80/52/34/414805234.db2.gz QPNSYTKITXMOBI-OAHLLOKOSA-N 0 3 296.455 2.406 20 30 CEEDHN CC#CCCCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654319700 414906631 /nfs/dbraw/zinc/90/66/31/414906631.db2.gz PESJTPVQRXXTMD-CABCVRRESA-N 0 3 262.397 2.313 20 30 CEEDHN C=CCOCCNCc1cncc(Br)c1C ZINC000657429816 414931023 /nfs/dbraw/zinc/93/10/23/414931023.db2.gz KUSUDHGRKOYPLA-UHFFFAOYSA-N 0 3 285.185 2.445 20 30 CEEDHN C=CCCn1cc(CNCC2CCSCC2)nn1 ZINC000657357896 414883250 /nfs/dbraw/zinc/88/32/50/414883250.db2.gz DXSIILLEAOKLFQ-UHFFFAOYSA-N 0 3 266.414 2.087 20 30 CEEDHN C=CCCCCCNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000654665751 414999929 /nfs/dbraw/zinc/99/99/29/414999929.db2.gz IQWZHJMQYGZKRJ-AWEZNQCLSA-N 0 3 267.417 2.468 20 30 CEEDHN C=CCOCCCNCc1cc2c(cc1OC)OCO2 ZINC000657658296 415037852 /nfs/dbraw/zinc/03/78/52/415037852.db2.gz RGEPSPDUMFSOOW-UHFFFAOYSA-N 0 3 279.336 2.106 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000655090707 415100361 /nfs/dbraw/zinc/10/03/61/415100361.db2.gz BEANZRLJBAEOOQ-MELADBBJSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnnn1C1CC1 ZINC000657922435 415124792 /nfs/dbraw/zinc/12/47/92/415124792.db2.gz ONKDXLRZHGVAFS-AAEUAGOBSA-N 0 3 261.373 2.233 20 30 CEEDHN C=CCNC(=O)CN1CCc2ccccc2C(C)(C)C1 ZINC000661210514 415136941 /nfs/dbraw/zinc/13/69/41/415136941.db2.gz RUZRDZHSNBNDQH-UHFFFAOYSA-N 0 3 272.392 2.125 20 30 CEEDHN Cc1ccc(C#N)c(NCCN2CCC(C)CC2)n1 ZINC000043395650 175035715 /nfs/dbraw/zinc/03/57/15/175035715.db2.gz BBFOKNXKDQJVBX-UHFFFAOYSA-N 0 3 258.369 2.406 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC(C2CCC2)CC1 ZINC000661375591 415232786 /nfs/dbraw/zinc/23/27/86/415232786.db2.gz AXPOZFGVRQAHJN-LBPRGKRZSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CC[C@H]1CCCN([C@H]2CCN(C(C)C)C2=O)C1 ZINC000661379451 415233180 /nfs/dbraw/zinc/23/31/80/415233180.db2.gz BYTRVYPDBGPZPO-KBPBESRZSA-N 0 3 250.386 2.284 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](CCF)C1 ZINC000661696068 415405352 /nfs/dbraw/zinc/40/53/52/415405352.db2.gz XKYVNFZEGLDDKW-AWEZNQCLSA-N 0 3 270.392 2.483 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc2n(n1)CCCC2 ZINC000655768432 415448861 /nfs/dbraw/zinc/44/88/61/415448861.db2.gz ZZSSJHRAGCTNIE-BBRMVZONSA-N 0 3 275.396 2.290 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc2n(n1)CCCC2 ZINC000655768434 415449177 /nfs/dbraw/zinc/44/91/77/415449177.db2.gz ZZSSJHRAGCTNIE-CZUORRHYSA-N 0 3 275.396 2.290 20 30 CEEDHN C=CCCCCNC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000664697890 415454896 /nfs/dbraw/zinc/45/48/96/415454896.db2.gz JYPVGPDKMBZYFA-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN C=C(CNC(=O)N[C@H]1CCN(CCC)C1)c1ccccc1 ZINC000664899193 415515624 /nfs/dbraw/zinc/51/56/24/415515624.db2.gz CSFLEBKDGJSJRL-INIZCTEOSA-N 0 3 287.407 2.483 20 30 CEEDHN C=CCN(C(=O)C[C@H]1NCc2ccccc21)[C@H](C)COC ZINC000659339703 415528277 /nfs/dbraw/zinc/52/82/77/415528277.db2.gz KNPSJNUILVIMDE-CZUORRHYSA-N 0 3 288.391 2.271 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)C[C@H]1CC1(C)C ZINC000662348700 415796035 /nfs/dbraw/zinc/79/60/35/415796035.db2.gz SSBYODCAEVPFHJ-CYBMUJFWSA-N 0 3 250.386 2.165 20 30 CEEDHN CCC#C[C@@H](C)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000656860543 415891113 /nfs/dbraw/zinc/89/11/13/415891113.db2.gz JKFUACHRHKHDBK-UKRRQHHQSA-N 0 3 251.370 2.058 20 30 CEEDHN C#CCN1CCC(C(=O)NCCc2cc(C)cc(C)c2)CC1 ZINC000076370693 177007394 /nfs/dbraw/zinc/00/73/94/177007394.db2.gz PTKVHQILEUPLHT-UHFFFAOYSA-N 0 3 298.430 2.307 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(CC(C)C)C1CC1 ZINC000076904185 177130203 /nfs/dbraw/zinc/13/02/03/177130203.db2.gz FREUEFJXGGZWMC-ZDUSSCGKSA-N 0 3 265.401 2.115 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1 ZINC000078734289 177378966 /nfs/dbraw/zinc/37/89/66/177378966.db2.gz NXVCQJHDFJNMHB-UHFFFAOYSA-N 0 3 298.308 2.484 20 30 CEEDHN N#CC(C(=O)c1ccccc1-n1cccn1)c1ccncn1 ZINC000354468801 227005438 /nfs/dbraw/zinc/00/54/38/227005438.db2.gz PQTKADYPNFCLEA-CYBMUJFWSA-N 0 3 289.298 2.152 20 30 CEEDHN C[C@H](CNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)c1nncn1C ZINC000329965044 228000620 /nfs/dbraw/zinc/00/06/20/228000620.db2.gz QWVPXBKXLFXMJH-LPWJVIDDSA-N 0 3 293.415 2.136 20 30 CEEDHN C[C@H](C(=O)N[C@@H](C)c1ncnn1C)N1CCCCCC1 ZINC000330031183 228021922 /nfs/dbraw/zinc/02/19/22/228021922.db2.gz SUVZQFDYOPMIRU-NWDGAFQWSA-N 0 3 279.388 2.097 20 30 CEEDHN O=C(NCc1csc(=O)[nH]1)C1CCN(C2CC2)CC1 ZINC000330286759 228093182 /nfs/dbraw/zinc/09/31/82/228093182.db2.gz BUBIPHWDGYZTMG-UHFFFAOYSA-N 0 3 281.381 2.180 20 30 CEEDHN C[C@H](C(=O)N1CCC(CC#N)CC1)N1CCCCCC1 ZINC000336034201 228180422 /nfs/dbraw/zinc/18/04/22/228180422.db2.gz BBHQURBAORRECA-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCCCOC)C(C)C ZINC000298614675 260159212 /nfs/dbraw/zinc/15/92/12/260159212.db2.gz KDDKLXZTPPYUHO-HNNXBMFYSA-N 0 3 297.443 2.021 20 30 CEEDHN C=CCOc1ccccc1C(=O)N1CCCN(CC)CC1 ZINC000299608021 260189602 /nfs/dbraw/zinc/18/96/02/260189602.db2.gz IXCFZWLAVDQIBY-UHFFFAOYSA-N 0 3 288.391 2.419 20 30 CEEDHN C=CCN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000299674717 260189926 /nfs/dbraw/zinc/18/99/26/260189926.db2.gz VODFAOBPYMWXAJ-UHFFFAOYSA-N 0 3 269.348 2.395 20 30 CEEDHN C=CCCCC[C@H](C)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000449154880 260260379 /nfs/dbraw/zinc/26/03/79/260260379.db2.gz JSJXUFHERRXLSU-ZFWWWQNUSA-N 0 3 290.411 2.250 20 30 CEEDHN C=CCOc1ccccc1CNCCc1cn(C)cn1 ZINC000313301215 260280561 /nfs/dbraw/zinc/28/05/61/260280561.db2.gz OYWBRMGEKOQMLQ-UHFFFAOYSA-N 0 3 271.364 2.317 20 30 CEEDHN N#Cc1csc(CNCCc2cn3c(n2)SCC3)c1 ZINC000526051137 260746517 /nfs/dbraw/zinc/74/65/17/260746517.db2.gz GTSWKOGQFBJKJW-UHFFFAOYSA-N 0 3 290.417 2.254 20 30 CEEDHN C[C@H]1CN(CCCCC(C)(C)C#N)CCN1CC(C)(C)O ZINC000444673721 261062146 /nfs/dbraw/zinc/06/21/46/261062146.db2.gz IPIUBQQAUAYANH-HNNXBMFYSA-N 0 3 295.471 2.483 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CC[C@H]2CC[C@@H](C)O2)CC1 ZINC000173161124 261157631 /nfs/dbraw/zinc/15/76/31/261157631.db2.gz QGKIVPDDQLGSEZ-GDBMZVCRSA-N 0 3 294.439 2.491 20 30 CEEDHN N#CCCCCN1CCCN(c2ncccc2C#N)CC1 ZINC000102398002 261232828 /nfs/dbraw/zinc/23/28/28/261232828.db2.gz DDWJUMXJNIHZDP-UHFFFAOYSA-N 0 3 283.379 2.159 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000491067678 261314659 /nfs/dbraw/zinc/31/46/59/261314659.db2.gz JRVDGOXFYDLVMK-CQSZACIVSA-N 0 3 270.376 2.376 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CCOCC(C)C)CC1 ZINC000106036479 261320494 /nfs/dbraw/zinc/32/04/94/261320494.db2.gz OACWXHGVLCZHRH-UHFFFAOYSA-N 0 3 282.428 2.206 20 30 CEEDHN Cc1ccc([C@@H](C)NCC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000182316844 261934193 /nfs/dbraw/zinc/93/41/93/261934193.db2.gz BCBJKSNIRQDVMK-CXAGYDPISA-N 0 3 285.391 2.454 20 30 CEEDHN CN(CC#N)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000184722284 262027020 /nfs/dbraw/zinc/02/70/20/262027020.db2.gz XGGKIZNYMDPTDD-UHFFFAOYSA-N 0 3 285.391 2.271 20 30 CEEDHN CCN(CCC#N)C(=O)CN1C[C@H]2CCCCC[C@H]21 ZINC000363926393 262036617 /nfs/dbraw/zinc/03/66/17/262036617.db2.gz WBGDNMBBSCKINE-ZIAGYGMSSA-N 0 3 263.385 2.013 20 30 CEEDHN CC#CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000364148669 262157087 /nfs/dbraw/zinc/15/70/87/262157087.db2.gz JCLMKDMFOPPVDY-DZFIZOCASA-N 0 3 296.414 2.427 20 30 CEEDHN N#C[C@H]1CCC[C@H](N[C@@H]2c3ccccc3C[C@@H]2O)C1 ZINC000192725048 262209401 /nfs/dbraw/zinc/20/94/01/262209401.db2.gz FOWXPBCKEJPSNW-DLKVLKDVSA-N 0 3 256.349 2.317 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000364855635 262262960 /nfs/dbraw/zinc/26/29/60/262262960.db2.gz RZWVSUWJQCNYAJ-WBVHZDCISA-N 0 3 294.439 2.302 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1C1CCC1 ZINC000365111472 262279165 /nfs/dbraw/zinc/27/91/65/262279165.db2.gz WGKAKAWIFLMNRA-HOCLYGCPSA-N 0 3 277.412 2.305 20 30 CEEDHN COCC1(O)CCN(CCCCC(C)(C)C#N)CC1 ZINC000336806320 262395648 /nfs/dbraw/zinc/39/56/48/262395648.db2.gz RKLLNIFWLMOGEC-UHFFFAOYSA-N 0 3 268.401 2.180 20 30 CEEDHN Cc1ccsc1[C@H](CO)N[C@@H]1CC[C@H](C#N)C1 ZINC000339093000 262597626 /nfs/dbraw/zinc/59/76/26/262597626.db2.gz ZWZDIGHEFGRBIK-TUAOUCFPSA-N 0 3 250.367 2.372 20 30 CEEDHN C[C@@H]1CCC[C@@H](CO)N1Cc1ccc(OCC#N)cc1 ZINC000272679526 263008042 /nfs/dbraw/zinc/00/80/42/263008042.db2.gz RPECIAVEYMAGLY-HIFRSBDPSA-N 0 3 274.364 2.324 20 30 CEEDHN CC(=O)Nc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cn1 ZINC000279000732 263052447 /nfs/dbraw/zinc/05/24/47/263052447.db2.gz FUVQXXZVJODUIS-GXTWGEPZSA-N 0 3 272.352 2.212 20 30 CEEDHN CC1CC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279389748 263055076 /nfs/dbraw/zinc/05/50/76/263055076.db2.gz ADTQJCOGVVNBPT-XGTXGMFGSA-N 0 3 267.332 2.155 20 30 CEEDHN C[C@@H]1CSCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280248259 263060055 /nfs/dbraw/zinc/06/00/55/263060055.db2.gz BUTSQWMXQJJZMT-DOMZBBRYSA-N 0 3 299.399 2.204 20 30 CEEDHN C#CCN(CC#N)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000281029798 263065897 /nfs/dbraw/zinc/06/58/97/263065897.db2.gz BYXWZBAVJRQWKK-UHFFFAOYSA-N 0 3 295.386 2.271 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ncc(Cl)n1C ZINC000281447044 263069108 /nfs/dbraw/zinc/06/91/08/263069108.db2.gz ACETVIOLGZLNFW-GWCFXTLKSA-N 0 3 269.776 2.144 20 30 CEEDHN C=CCC[C@@H](O)CN1CCCC[C@H]1c1ccnn1C ZINC000281527648 263069800 /nfs/dbraw/zinc/06/98/00/263069800.db2.gz WAIISDISSBFOPG-HIFRSBDPSA-N 0 3 263.385 2.274 20 30 CEEDHN C#CCCN1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366600899 263069880 /nfs/dbraw/zinc/06/98/80/263069880.db2.gz PALRBOFQYBIGRB-KGLIPLIRSA-N 0 3 278.396 2.341 20 30 CEEDHN C#C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000281883583 263072582 /nfs/dbraw/zinc/07/25/82/263072582.db2.gz FHEKPEVVOFTZNA-CVEARBPZSA-N 0 3 279.343 2.015 20 30 CEEDHN C#C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)(C)C ZINC000288378685 263103984 /nfs/dbraw/zinc/10/39/84/263103984.db2.gz VIEPZZZSPJFXLI-JKSUJKDBSA-N 0 3 293.370 2.405 20 30 CEEDHN C[C@@H](NC(=O)CCCC#N)[C@H](c1ccccc1)N(C)C ZINC000293252930 263138992 /nfs/dbraw/zinc/13/89/92/263138992.db2.gz KYOAQVWRYRAVIE-CZUORRHYSA-N 0 3 273.380 2.488 20 30 CEEDHN CCN(Cc1ccc(C(=O)N[C@@H](C)C#N)cc1)C1CC1 ZINC000340434097 263144820 /nfs/dbraw/zinc/14/48/20/263144820.db2.gz ZOAPIGZKORLEON-LBPRGKRZSA-N 0 3 271.364 2.313 20 30 CEEDHN COC[C@H]1CCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000293739078 263148419 /nfs/dbraw/zinc/14/84/19/263148419.db2.gz VPZNFICFJFMJAB-MRXNPFEDSA-N 0 3 273.380 2.257 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(CF)CC2)cc1 ZINC000295538108 263179158 /nfs/dbraw/zinc/17/91/58/263179158.db2.gz CHKGFGOHOUNXKX-INIZCTEOSA-N 0 3 299.349 2.449 20 30 CEEDHN N#C[C@H](c1ccccc1)N1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000298077090 263214588 /nfs/dbraw/zinc/21/45/88/263214588.db2.gz IBKBUGSNMCQCKC-KSZLIROESA-N 0 3 299.418 2.172 20 30 CEEDHN C#CCN1CCC(C(=O)NCc2ccc(CC)s2)CC1 ZINC000299077957 263229648 /nfs/dbraw/zinc/22/96/48/263229648.db2.gz WWEILWAFGZXONQ-UHFFFAOYSA-N 0 3 290.432 2.272 20 30 CEEDHN C=CCOc1cccc(NC(=O)N2C[C@H](C)NC[C@H]2C)c1 ZINC000415018534 263255598 /nfs/dbraw/zinc/25/55/98/263255598.db2.gz UIDJFZGCXXNNON-QWHCGFSZSA-N 0 3 289.379 2.466 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000341459914 263336389 /nfs/dbraw/zinc/33/63/89/263336389.db2.gz HXJYNMLKZNIQKP-GJZGRUSLSA-N 0 3 297.443 2.093 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000341433573 263338007 /nfs/dbraw/zinc/33/80/07/263338007.db2.gz JVHBAGZBNUDMSI-IHRRRGAJSA-N 0 3 265.401 2.077 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000341488420 263339375 /nfs/dbraw/zinc/33/93/75/263339375.db2.gz IDUYFTVBCVATRZ-GXTWGEPZSA-N 0 3 265.401 2.219 20 30 CEEDHN C=CC[C@@H](CO)CN[C@H](C)c1cnn(C(C)C)c1 ZINC000341871084 263360680 /nfs/dbraw/zinc/36/06/80/263360680.db2.gz COWKNDWOZZAKSY-CHWSQXEVSA-N 0 3 251.374 2.299 20 30 CEEDHN C=CC[C@H](CO)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341880575 263362623 /nfs/dbraw/zinc/36/26/23/263362623.db2.gz QBHMEGYRXIISIB-RYUDHWBXSA-N 0 3 264.325 2.430 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000342007423 263377030 /nfs/dbraw/zinc/37/70/30/263377030.db2.gz SQLIRKWZPCQXOY-OCCSQVGLSA-N 0 3 270.442 2.142 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000334209764 263507800 /nfs/dbraw/zinc/50/78/00/263507800.db2.gz YCIYUVMUHLTMRL-NXEZZACHSA-N 0 3 295.745 2.334 20 30 CEEDHN C=CCN(CCOC)C(=O)Nc1cccc(CNC)c1 ZINC000415967491 263654232 /nfs/dbraw/zinc/65/42/32/263654232.db2.gz WSWOMIOPPYDAJP-UHFFFAOYSA-N 0 3 277.368 2.072 20 30 CEEDHN C=CC1CCN(Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000334482958 263721094 /nfs/dbraw/zinc/72/10/94/263721094.db2.gz XMJNJCRFKNLZFZ-UHFFFAOYSA-N 0 3 272.348 2.416 20 30 CEEDHN CNc1ccc(C(=O)NCC(C)(C)N2CCCCC2)cn1 ZINC000330575740 263978228 /nfs/dbraw/zinc/97/82/28/263978228.db2.gz HVSDASJOCLOKAH-UHFFFAOYSA-N 0 3 290.411 2.114 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)C1(C#N)CCCCC1 ZINC000330672755 264014114 /nfs/dbraw/zinc/01/41/14/264014114.db2.gz OBUJBNJVWQZFPA-AWEZNQCLSA-N 0 3 277.412 2.451 20 30 CEEDHN CC[C@@H](C)n1nc(NC(=O)NC2CCN(C)CC2)cc1C ZINC000330678121 264014934 /nfs/dbraw/zinc/01/49/34/264014934.db2.gz CDDVGHASSQSOMM-LLVKDONJSA-N 0 3 293.415 2.005 20 30 CEEDHN COc1cc(CN[C@@H]2CC[C@H](C#N)C2)cc(OC)c1O ZINC000425346669 264018925 /nfs/dbraw/zinc/01/89/25/264018925.db2.gz CAMPHMMKGMNBPA-CMPLNLGQSA-N 0 3 276.336 2.191 20 30 CEEDHN COc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c(OC)c1 ZINC000330891668 264076733 /nfs/dbraw/zinc/07/67/33/264076733.db2.gz CXAOEOMPWALYHG-NWDGAFQWSA-N 0 3 292.379 2.491 20 30 CEEDHN CCN1CCC[C@H](NC(=O)NCc2sc(C)nc2C)C1 ZINC000330934914 264079624 /nfs/dbraw/zinc/07/96/24/264079624.db2.gz KUCBTFOONLBLNR-LBPRGKRZSA-N 0 3 296.440 2.248 20 30 CEEDHN CCc1nc(C(=O)NC[C@@H]2CCCCN2CC)co1 ZINC000331085481 264117913 /nfs/dbraw/zinc/11/79/13/264117913.db2.gz ZUJKFVPDTNBIPN-NSHDSACASA-N 0 3 265.357 2.416 20 30 CEEDHN CCc1ccnc(CNC(=O)N[C@@H]2CCCN(CC)C2)c1 ZINC000331241305 264177230 /nfs/dbraw/zinc/17/72/30/264177230.db2.gz OWCFFXOSNFXLEN-CQSZACIVSA-N 0 3 290.411 2.132 20 30 CEEDHN COc1ccc(O)cc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000331297525 264198591 /nfs/dbraw/zinc/19/85/91/264198591.db2.gz SQBDQXDJNPYGJT-LLVKDONJSA-N 0 3 290.363 2.356 20 30 CEEDHN O=C(N[C@H](CO)CN1CCCCC1)C1=CCCCC1 ZINC000331361024 264209171 /nfs/dbraw/zinc/20/91/71/264209171.db2.gz YNLZNWXBOJGADJ-AWEZNQCLSA-N 0 3 266.385 2.290 20 30 CEEDHN C#CCN(CCCc1nc(C)no1)Cc1ccccc1 ZINC000285726995 264559372 /nfs/dbraw/zinc/55/93/72/264559372.db2.gz PREIEQMZEMNIEV-UHFFFAOYSA-N 0 3 269.348 2.446 20 30 CEEDHN CC(C#N)C(=O)NCCCCCC(=O)OC(C)(C)C ZINC000357061145 266240806 /nfs/dbraw/zinc/24/08/06/266240806.db2.gz RXGKMGWKWUYIIW-NSHDSACASA-N 0 3 268.357 2.164 20 30 CEEDHN CC(C#N)C(=O)NCc1ccccc1OC(F)F ZINC000357821046 266373043 /nfs/dbraw/zinc/37/30/43/266373043.db2.gz IOVCKSXLYGSWQK-MRVPVSSYSA-N 0 3 254.236 2.064 20 30 CEEDHN Cc1nc2ccccc2n1CCCNC(=O)C(C)C#N ZINC000357841278 266375259 /nfs/dbraw/zinc/37/52/59/266375259.db2.gz VPNRMGCRSJDGPC-NSHDSACASA-N 0 3 270.336 2.011 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)C(F)(F)F)CC1 ZINC000361784175 266883697 /nfs/dbraw/zinc/88/36/97/266883697.db2.gz ZCGDWXDKAVQCSP-SNVBAGLBSA-N 0 3 278.318 2.342 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC[C@H](CC)O2)CC1 ZINC000362532316 267003451 /nfs/dbraw/zinc/00/34/51/267003451.db2.gz AFVWWEDBGYDFFR-GJZGRUSLSA-N 0 3 280.412 2.101 20 30 CEEDHN CN1CCC(CC(=O)N[C@H](C#N)c2ccc(F)cc2)CC1 ZINC000362547521 267006178 /nfs/dbraw/zinc/00/61/78/267006178.db2.gz JYFNGIUZGVQJEW-OAHLLOKOSA-N 0 3 289.354 2.238 20 30 CEEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H]1CN(C)C(=O)O1 ZINC000496570303 267015504 /nfs/dbraw/zinc/01/55/04/267015504.db2.gz KCYDODHAFRKYKB-OAHLLOKOSA-N 0 3 287.363 2.221 20 30 CEEDHN C=C[C@H](C)NC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000362675377 267033911 /nfs/dbraw/zinc/03/39/11/267033911.db2.gz UMKFXEWMVQXPSX-NSHDSACASA-N 0 3 291.399 2.154 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](C)C2(CCC2)C1 ZINC000367479280 267093585 /nfs/dbraw/zinc/09/35/85/267093585.db2.gz ULRPYBHEVXSAMR-CQSZACIVSA-N 0 3 277.412 2.261 20 30 CEEDHN CC[C@H](CN1CCCN(c2ccccc2C#N)CC1)OC ZINC000419177562 267210541 /nfs/dbraw/zinc/21/05/41/267210541.db2.gz AGYSXOXSWLJDBW-MRXNPFEDSA-N 0 3 287.407 2.495 20 30 CEEDHN CC[C@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(C#N)cc1 ZINC000447540653 267223419 /nfs/dbraw/zinc/22/34/19/267223419.db2.gz KDACUOLDYRTDEN-CABCVRRESA-N 0 3 271.364 2.220 20 30 CEEDHN CC[C@H](N[C@H]1CCCN(C)C1=O)c1ccc(C#N)cc1 ZINC000447587726 267223706 /nfs/dbraw/zinc/22/37/06/267223706.db2.gz RZUGIHSGFGFHFI-GJZGRUSLSA-N 0 3 271.364 2.220 20 30 CEEDHN CC[C@H]1CN(CC)CCN1Cc1ccc(C#N)cc1 ZINC000449564940 267230941 /nfs/dbraw/zinc/23/09/41/267230941.db2.gz FIEJRQJJAGMFHX-INIZCTEOSA-N 0 3 257.381 2.474 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)/C=C\c1ccc(C#N)cc1 ZINC000492988078 267278739 /nfs/dbraw/zinc/27/87/39/267278739.db2.gz NUDGIFWCEKBYGV-KTKRTIGZSA-N 0 3 271.364 2.028 20 30 CEEDHN CN(C)C[C@@H]1CCCN1C(=O)/C=C\c1cccc(C#N)c1 ZINC000492101690 267282259 /nfs/dbraw/zinc/28/22/59/267282259.db2.gz CMKCSMGIMKFCQA-QWGSZXSUSA-N 0 3 283.375 2.124 20 30 CEEDHN CN(C)C[C@H]1CCCN1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000491479027 267282518 /nfs/dbraw/zinc/28/25/18/267282518.db2.gz OORGABATROYRAI-ZBTGYSDGSA-N 0 3 283.375 2.124 20 30 CEEDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccc(C#N)s1 ZINC000530675113 267282931 /nfs/dbraw/zinc/28/29/31/267282931.db2.gz KXAJJOOVQVYOSO-LLVKDONJSA-N 0 3 277.393 2.176 20 30 CEEDHN C#CCOc1ccccc1CN1CC([C@@H]2CCOC2)C1 ZINC000370474997 267321066 /nfs/dbraw/zinc/32/10/66/267321066.db2.gz ABZPUMMUKCKOPY-OAHLLOKOSA-N 0 3 271.360 2.167 20 30 CEEDHN CN(Cc1cn2ccccc2c1C#N)C1CCOCC1 ZINC000531104409 267321968 /nfs/dbraw/zinc/32/19/68/267321968.db2.gz HKXAXWDHCKBMDI-UHFFFAOYSA-N 0 3 269.348 2.422 20 30 CEEDHN C#Cc1cccc(NC(=O)C23CCCN2CCC3)c1 ZINC000370596717 267329513 /nfs/dbraw/zinc/32/95/13/267329513.db2.gz JRRXTZJKBQUUCM-UHFFFAOYSA-N 0 3 254.333 2.235 20 30 CEEDHN CC(C)N1CCN([C@@H]2CCN(CCC(C)(C)C#N)C2)CC1 ZINC000371199090 267369380 /nfs/dbraw/zinc/36/93/80/267369380.db2.gz QZAMRGJWMPNGEE-MRXNPFEDSA-N 0 3 292.471 2.027 20 30 CEEDHN CN(C(=O)CN1CC[C@H](C2CC2)C1)C1(C#N)CCCCC1 ZINC000371307706 267386960 /nfs/dbraw/zinc/38/69/60/267386960.db2.gz HKOACEDNLVFSEQ-HNNXBMFYSA-N 0 3 289.423 2.403 20 30 CEEDHN C#CCOc1ccccc1CN1CCCC[C@@H](CO)C1 ZINC000371331470 267392362 /nfs/dbraw/zinc/39/23/62/267392362.db2.gz ICYMJXHHENWZIV-OAHLLOKOSA-N 0 3 273.376 2.293 20 30 CEEDHN CCN1CCCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000377043506 268043255 /nfs/dbraw/zinc/04/32/55/268043255.db2.gz MDEFXQQVURQZOI-UHFFFAOYSA-N 0 3 280.416 2.054 20 30 CEEDHN C=C(CNC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccccc1 ZINC000377064985 268044170 /nfs/dbraw/zinc/04/41/70/268044170.db2.gz FBJVYWICHCHRBE-QGZVFWFLSA-N 0 3 297.402 2.356 20 30 CEEDHN Cc1nn(C)c(N2CCN([C@@H](C)CC(C)C)CC2)c1C#N ZINC000450819414 268091519 /nfs/dbraw/zinc/09/15/19/268091519.db2.gz FPCKGRZNEZPBOC-ZDUSSCGKSA-N 0 3 289.427 2.157 20 30 CEEDHN N#Cc1ccc([C@@H](NCC[C@H]2CC=CCC2)C(N)=O)cc1 ZINC000530133703 268262762 /nfs/dbraw/zinc/26/27/62/268262762.db2.gz DBHSPRKKMHOSME-XJKSGUPXSA-N 0 3 283.375 2.421 20 30 CEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCCC[C@H]1F ZINC000530233513 268303777 /nfs/dbraw/zinc/30/37/77/268303777.db2.gz QFCZHJOTRSPXNH-RBSFLKMASA-N 0 3 292.354 2.168 20 30 CEEDHN CCCN(C)CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425133080 271125803 /nfs/dbraw/zinc/12/58/03/271125803.db2.gz SACFETLMWSJUPX-ZDUSSCGKSA-N 0 3 273.380 2.419 20 30 CEEDHN C[C@H](c1ccccc1)[C@H](NCc1cccc(C#N)c1)C(N)=O ZINC000428845615 271297236 /nfs/dbraw/zinc/29/72/36/271297236.db2.gz LQDUVGDNCADPIY-DYVFJYSZSA-N 0 3 293.370 2.305 20 30 CEEDHN CN(C)C1CN(c2ccc(C#N)cc2Br)C1 ZINC000273202209 273792711 /nfs/dbraw/zinc/79/27/11/273792711.db2.gz FJHNMDNISPGGJO-UHFFFAOYSA-N 0 3 280.169 2.071 20 30 CEEDHN CS[C@H]1CN(c2cccc(F)c2C#N)C[C@@H]1N(C)C ZINC000336038498 274186730 /nfs/dbraw/zinc/18/67/30/274186730.db2.gz XISAUSNWWKYYPA-KBPBESRZSA-N 0 3 279.384 2.179 20 30 CEEDHN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCN(C)C ZINC000338398335 274698630 /nfs/dbraw/zinc/69/86/30/274698630.db2.gz JWGMRLJMSUBGKB-UHFFFAOYSA-N 0 3 289.766 2.397 20 30 CEEDHN O[C@@H]1CC[C@@H]2CN(CC#Cc3cccc(Cl)c3)C[C@@H]12 ZINC000344099523 275054067 /nfs/dbraw/zinc/05/40/67/275054067.db2.gz YMDSEDHXDWYFHU-FVQBIDKESA-N 0 3 275.779 2.394 20 30 CEEDHN CC[C@@H]1CN(CCN[C@@H]2CCc3ccc(C#N)cc32)CCO1 ZINC000353597675 276492019 /nfs/dbraw/zinc/49/20/19/276492019.db2.gz QSVVNGYXPPUZFH-SJLPKXTDSA-N 0 3 299.418 2.246 20 30 CEEDHN CC(=O)NC[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000246387118 277035115 /nfs/dbraw/zinc/03/51/15/277035115.db2.gz NVIQLDZBENKEOU-BBRMVZONSA-N 0 3 285.391 2.467 20 30 CEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(C#N)cs2)C1 ZINC000246457491 277155745 /nfs/dbraw/zinc/15/57/45/277155745.db2.gz CEDDOOLANSLMCH-QWHCGFSZSA-N 0 3 289.404 2.176 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@]1(C)CCOC1)C(C)C ZINC000347848732 277849793 /nfs/dbraw/zinc/84/97/93/277849793.db2.gz MPOIQRSOCKEYEJ-DOTOQJQBSA-N 0 3 294.439 2.228 20 30 CEEDHN C[C@@H](CCC#N)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000351630117 278226390 /nfs/dbraw/zinc/22/63/90/278226390.db2.gz AFKPFMHCTPNDFJ-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN C[C@@H](NCC(=O)Nc1nc2c(s1)CCC2)[C@@H]1CCCO1 ZINC000329680042 278339832 /nfs/dbraw/zinc/33/98/32/278339832.db2.gz REIIIIPXVCIYDH-KOLCDFICSA-N 0 3 295.408 2.377 20 30 CEEDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000118398655 279141453 /nfs/dbraw/zinc/14/14/53/279141453.db2.gz IIKMJRYHMVIIPX-NHYWBVRUSA-N 0 3 281.363 2.124 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1C[C@@H](C)CC1(C)C ZINC000347516209 279214320 /nfs/dbraw/zinc/21/43/20/279214320.db2.gz LJVJYOHLARXIGS-STQMWFEESA-N 0 3 265.401 2.115 20 30 CEEDHN C[C@H](CNC(=O)c1cc(C#N)cs1)N1CCC[C@@H](C)C1 ZINC000246223163 280281289 /nfs/dbraw/zinc/28/12/89/280281289.db2.gz ZZLDPABHMICNSZ-VXGBXAGGSA-N 0 3 291.420 2.470 20 30 CEEDHN COC(=O)CCN(Cc1cc(C#N)ccc1OC)C(C)C ZINC000152133402 289077814 /nfs/dbraw/zinc/07/78/14/289077814.db2.gz HCESHXNKWLFGPX-UHFFFAOYSA-N 0 3 290.363 2.340 20 30 CEEDHN C[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)N1CCCC1 ZINC000313990587 289283591 /nfs/dbraw/zinc/28/35/91/289283591.db2.gz NVCPOXVSLFTTNE-JTQLQIEISA-N 0 3 293.317 2.051 20 30 CEEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000329628262 295384626 /nfs/dbraw/zinc/38/46/26/295384626.db2.gz UOKCMBNKTOWGLW-RWMBFGLXSA-N 0 3 288.395 2.303 20 30 CEEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000329628262 295384628 /nfs/dbraw/zinc/38/46/28/295384628.db2.gz UOKCMBNKTOWGLW-RWMBFGLXSA-N 0 3 288.395 2.303 20 30 CEEDHN C[C@H](CC(=O)N(C)C)N[C@H](CCC#N)c1ccccc1 ZINC000090664862 298281909 /nfs/dbraw/zinc/28/19/09/298281909.db2.gz XXVVOYDVLHKAPE-UKRRQHHQSA-N 0 3 273.380 2.488 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000548113295 298394820 /nfs/dbraw/zinc/39/48/20/298394820.db2.gz XUQOWVNYGJAWHU-UHFFFAOYSA-N 0 3 291.782 2.378 20 30 CEEDHN CN(C)C[C@H]1CCCCN1C(=O)c1cc(C#N)cs1 ZINC000177442285 312720121 /nfs/dbraw/zinc/72/01/21/312720121.db2.gz AUOPRFVJQKWYHW-GFCCVEGCSA-N 0 3 277.393 2.176 20 30 CEEDHN CN1CCN(Cc2ccc(C#N)cn2)CC12CCCCC2 ZINC000576475308 314280188 /nfs/dbraw/zinc/28/01/88/314280188.db2.gz BIGZPOPPDVSBQX-UHFFFAOYSA-N 0 3 284.407 2.404 20 30 CEEDHN Cc1cc(CN[C@H]2CCC(=O)N[C@@H]2C2CC2)ccc1C#N ZINC000577197885 314351511 /nfs/dbraw/zinc/35/15/11/314351511.db2.gz YEWGRYCUTUXOIO-DOTOQJQBSA-N 0 3 283.375 2.014 20 30 CEEDHN CC1(C#N)CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000338802279 327990646 /nfs/dbraw/zinc/99/06/46/327990646.db2.gz AECSFEFVSYDYJK-UHFFFAOYSA-N 0 3 275.396 2.013 20 30 CEEDHN N#CCC[C@H](C#N)CNC[C@H](CO)CC1CCCC1 ZINC000571166279 328090164 /nfs/dbraw/zinc/09/01/64/328090164.db2.gz WUDAVKMXCHZJIK-HUUCEWRRSA-N 0 3 263.385 2.208 20 30 CEEDHN CC[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccc(C)cc1 ZINC000571294354 328100181 /nfs/dbraw/zinc/10/01/81/328100181.db2.gz INNXUNBHTDAHMO-DLBZAZTESA-N 0 3 289.423 2.242 20 30 CEEDHN [O-]c1ccccc1/C=N/C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000268938771 328187133 /nfs/dbraw/zinc/18/71/33/328187133.db2.gz CZRKXKAOVBVNOK-HOKSHQMQSA-N 0 3 288.391 2.189 20 30 CEEDHN CSC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280028864 328234493 /nfs/dbraw/zinc/23/44/93/328234493.db2.gz MYPQSMHXDNUVCU-CQSZACIVSA-N 0 3 299.399 2.252 20 30 CEEDHN CCCCN(C)CCNC(=O)c1ccc(CC#N)cc1 ZINC000340151466 328243493 /nfs/dbraw/zinc/24/34/93/328243493.db2.gz BRROLQGAFNIGFS-UHFFFAOYSA-N 0 3 273.380 2.214 20 30 CEEDHN CN1CCC(CC(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000291539525 328264987 /nfs/dbraw/zinc/26/49/87/328264987.db2.gz VCQQNPKUPAJLCV-UHFFFAOYSA-N 0 3 287.363 2.259 20 30 CEEDHN Cc1ccc(CN(CCN(C)C)C(=O)CCCC#N)o1 ZINC000291953983 328268016 /nfs/dbraw/zinc/26/80/16/328268016.db2.gz QOPRQVZTXAIGMH-UHFFFAOYSA-N 0 3 277.368 2.172 20 30 CEEDHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CCOCCC#N ZINC000293566463 328276796 /nfs/dbraw/zinc/27/67/96/328276796.db2.gz SKHYLXFXEJQXAQ-AWEZNQCLSA-N 0 3 299.378 2.190 20 30 CEEDHN C=CCN(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000119568352 328307337 /nfs/dbraw/zinc/30/73/37/328307337.db2.gz APGKIZUHYXSMEV-UHFFFAOYSA-N 0 3 288.395 2.125 20 30 CEEDHN N#Cc1cnn2cc(CNCC3=CCCCC3)cnc12 ZINC000583263223 322535281 /nfs/dbraw/zinc/53/52/81/322535281.db2.gz CEKZZRCBUDQGFG-UHFFFAOYSA-N 0 3 267.336 2.191 20 30 CEEDHN C=CCn1cc(CN[C@@H](C)CCC(F)(F)F)nn1 ZINC000424297128 330336300 /nfs/dbraw/zinc/33/63/00/330336300.db2.gz PXPWVCRBWMMATB-VIFPVBQESA-N 0 3 262.279 2.285 20 30 CEEDHN CN(CCC(C)(C)C#N)C[C@H]1CCCN1c1cccnn1 ZINC000119944639 327296046 /nfs/dbraw/zinc/29/60/46/327296046.db2.gz QVWUSPQNOZNWNQ-CQSZACIVSA-N 0 3 287.411 2.317 20 30 CEEDHN C[C@H](N[C@@H]1CSC[C@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000560446572 327308992 /nfs/dbraw/zinc/30/89/92/327308992.db2.gz ZMDNHQXZMPPWBP-FRRDWIJNSA-N 0 3 295.452 2.059 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C=CCCC2)CC1 ZINC000150745838 327369301 /nfs/dbraw/zinc/36/93/01/327369301.db2.gz ZCSLHAOYDASAFD-CQSZACIVSA-N 0 3 277.412 2.435 20 30 CEEDHN C[C@@]1(CNCc2nc(C#N)cs2)CCO[C@H]1C1CC1 ZINC000562078626 327447356 /nfs/dbraw/zinc/44/73/56/327447356.db2.gz QCVATSONQIZZNU-KBPBESRZSA-N 0 3 277.393 2.310 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)NCC(C)(C)CCC#N)C[C@@H]21 ZINC000377005763 329009073 /nfs/dbraw/zinc/00/90/73/329009073.db2.gz NDBPDYCSTBXVMO-KGLIPLIRSA-N 0 3 292.427 2.052 20 30 CEEDHN C=C(CNC(=O)N1CC[C@@H]2CCN(C)[C@H]2C1)c1ccccc1 ZINC000377005631 329009100 /nfs/dbraw/zinc/00/91/00/329009100.db2.gz MUIKQGGXLVTBAW-IRXDYDNUSA-N 0 3 299.418 2.435 20 30 CEEDHN C=C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000377916383 329034762 /nfs/dbraw/zinc/03/47/62/329034762.db2.gz LRQHUQNNQNBLRF-HNNXBMFYSA-N 0 3 268.376 2.378 20 30 CEEDHN N#CCCCCN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000171032184 329074371 /nfs/dbraw/zinc/07/43/71/329074371.db2.gz VVPGYUHGIAMRNL-ZDUSSCGKSA-N 0 3 273.384 2.098 20 30 CEEDHN C=CC[C@H](C)NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176616003 329177419 /nfs/dbraw/zinc/17/74/19/329177419.db2.gz IOECEHODEAKWPP-AWEZNQCLSA-N 0 3 297.443 2.140 20 30 CEEDHN N#CCCCN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177592449 329187925 /nfs/dbraw/zinc/18/79/25/329187925.db2.gz WVLHGGFDTOEJCU-HNNXBMFYSA-N 0 3 266.385 2.340 20 30 CEEDHN C=C(C)CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000181260010 329228170 /nfs/dbraw/zinc/22/81/70/329228170.db2.gz MCTRDTDLFNBBEC-UHFFFAOYSA-N 0 3 250.298 2.482 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCO[C@H](CC)C2)CC1 ZINC000183677841 329249463 /nfs/dbraw/zinc/24/94/63/329249463.db2.gz NGXORCAVMDYCJU-GDBMZVCRSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000582849186 329279955 /nfs/dbraw/zinc/27/99/55/329279955.db2.gz RGSWARNFQRAOSA-YOEHRIQHSA-N 0 3 296.455 2.404 20 30 CEEDHN C=C(Cl)CN(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188280175 329367402 /nfs/dbraw/zinc/36/74/02/329367402.db2.gz OPCUUPOGPZODDX-MRXNPFEDSA-N 0 3 294.826 2.308 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CCSC2)CC1 ZINC000124365190 329569579 /nfs/dbraw/zinc/56/95/79/329569579.db2.gz DFQOHHCQQWZDEX-CQSZACIVSA-N 0 3 297.468 2.174 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCc3cccnc32)CC1 ZINC000425169746 329623740 /nfs/dbraw/zinc/62/37/40/329623740.db2.gz PNUWETWLQHIFBM-MRXNPFEDSA-N 0 3 299.418 2.268 20 30 CEEDHN C#CCCNC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000274796524 330107701 /nfs/dbraw/zinc/10/77/01/330107701.db2.gz MODAURVYYFDUMS-KRWDZBQOSA-N 0 3 299.418 2.220 20 30 CEEDHN C=CCc1cc(CN[C@@H]2C[C@H]2OCC)cc(OC)c1O ZINC000580419461 330128527 /nfs/dbraw/zinc/12/85/27/330128527.db2.gz GASVXAZFXYMQAQ-ZIAGYGMSSA-N 0 3 277.364 2.396 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H](N)c1ccccc1CC ZINC000423990357 330217462 /nfs/dbraw/zinc/21/74/62/330217462.db2.gz ZEGYIENCWXNRAZ-XJKSGUPXSA-N 0 3 290.407 2.346 20 30 CEEDHN CN(C(=O)[C@@H](N)CCCC#N)C1CCCCCC1 ZINC000424064635 330218958 /nfs/dbraw/zinc/21/89/58/330218958.db2.gz OXBYAAKWDTWSJX-ZDUSSCGKSA-N 0 3 251.374 2.189 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000424091147 330225288 /nfs/dbraw/zinc/22/52/88/330225288.db2.gz NKLYNMKRAAYIDC-JKSUJKDBSA-N 0 3 285.391 2.099 20 30 CEEDHN CCN(CCc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000424095198 330226697 /nfs/dbraw/zinc/22/66/97/330226697.db2.gz WPVYUUWZPLWMRC-HNNXBMFYSA-N 0 3 273.380 2.099 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCCOc2ccccc21 ZINC000424112872 330241275 /nfs/dbraw/zinc/24/12/75/330241275.db2.gz LSCMQXCFNVYXAE-KBPBESRZSA-N 0 3 287.363 2.038 20 30 CEEDHN CC(C)(C)[C@@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424115704 330243352 /nfs/dbraw/zinc/24/33/52/330243352.db2.gz VKZWRABULMYTIJ-NEPJUHHUSA-N 0 3 251.374 2.045 20 30 CEEDHN CCCC[C@@H](NC(=O)[C@@H](N)CCCC#N)C1CCC1 ZINC000424115678 330243493 /nfs/dbraw/zinc/24/34/93/330243493.db2.gz AWBNEHRHBASHIB-UONOGXRCSA-N 0 3 265.401 2.483 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccccc1OCC(F)F ZINC000424124978 330257723 /nfs/dbraw/zinc/25/77/23/330257723.db2.gz PUQLHXHQKWVKOR-JTQLQIEISA-N 0 3 297.305 2.290 20 30 CEEDHN CC[C@@H]1CCCCCN1C(=O)[C@H](N)CCCC#N ZINC000424126503 330258912 /nfs/dbraw/zinc/25/89/12/330258912.db2.gz OUOHRNBTXJEQEM-CHWSQXEVSA-N 0 3 251.374 2.189 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCCc1cc2ccccc2o1 ZINC000424126933 330259280 /nfs/dbraw/zinc/25/92/80/330259280.db2.gz PIZRDVOMSLYYOX-AWEZNQCLSA-N 0 3 285.347 2.113 20 30 CEEDHN CC(C)[C@@H]1CCCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424127029 330259296 /nfs/dbraw/zinc/25/92/96/330259296.db2.gz POPSTLORDHPEAP-ZIAGYGMSSA-N 0 3 265.401 2.292 20 30 CEEDHN CC[C@H](C)[C@H]1CCCCN1C(=O)[C@H](N)CCCC#N ZINC000424133277 330265555 /nfs/dbraw/zinc/26/55/55/330265555.db2.gz XHWSUISJOMUPPH-BFHYXJOUSA-N 0 3 265.401 2.435 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000424146444 330293204 /nfs/dbraw/zinc/29/32/04/330293204.db2.gz BICQKUZBZNWCQC-LLVKDONJSA-N 0 3 291.317 2.199 20 30 CEEDHN COc1cc(NC(=O)[C@H](N)CCCC#N)ccc1Cl ZINC000424188331 330322114 /nfs/dbraw/zinc/32/21/14/330322114.db2.gz JLNLHWDOPNKXOS-LLVKDONJSA-N 0 3 281.743 2.308 20 30 CEEDHN C=CCCOCCNC(=O)Nc1cc(C)cc(CN)c1 ZINC000424429637 330351829 /nfs/dbraw/zinc/35/18/29/330351829.db2.gz XEAZMTBVFUOIFF-UHFFFAOYSA-N 0 3 277.368 2.168 20 30 CEEDHN Cc1cc(CN)cc(NC(=O)NCC(C)(C)C#N)c1 ZINC000424429929 330351871 /nfs/dbraw/zinc/35/18/71/330351871.db2.gz YPUJNVRHFMUCGP-UHFFFAOYSA-N 0 3 260.341 2.125 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(CC1CC1)C(C)C ZINC000533351763 330359356 /nfs/dbraw/zinc/35/93/56/330359356.db2.gz GBXUTDXOQYAPIK-CYBMUJFWSA-N 0 3 265.401 2.115 20 30 CEEDHN CC1CCC(N(C)CC(=O)N(CCC#N)CCC#N)CC1 ZINC000057621062 330377016 /nfs/dbraw/zinc/37/70/16/330377016.db2.gz YUXLLIZYIAOGII-UHFFFAOYSA-N 0 3 290.411 2.153 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H](CO)Cc1ccccc1 ZINC000152685300 330635504 /nfs/dbraw/zinc/63/55/04/330635504.db2.gz TUZPOAORQXEFKB-GOSISDBHSA-N 0 3 295.382 2.392 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2CC(F)(F)C2)CC1 ZINC000440560257 330750655 /nfs/dbraw/zinc/75/06/55/330750655.db2.gz LABDTOCPUUEYQZ-UHFFFAOYSA-N 0 3 272.339 2.188 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(CN(C)C)c1 ZINC000448687766 330797919 /nfs/dbraw/zinc/79/79/19/330797919.db2.gz WXQXPTHGCSMCPL-CABCVRRESA-N 0 3 274.364 2.278 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccncc1F ZINC000449297251 330912734 /nfs/dbraw/zinc/91/27/34/330912734.db2.gz BWPPSDPZCZHNRD-OCCSQVGLSA-N 0 3 250.317 2.292 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc2cccc(C)n12 ZINC000449520505 330933544 /nfs/dbraw/zinc/93/35/44/330933544.db2.gz PZGOAFIBWFSRIN-KGLIPLIRSA-N 0 3 257.337 2.076 20 30 CEEDHN CC(C)C[C@]1(C)CCCN1CC(=O)NC1(C#N)CCC1 ZINC000451288775 331023211 /nfs/dbraw/zinc/02/32/11/331023211.db2.gz IUTWRNWXRONBLM-HNNXBMFYSA-N 0 3 277.412 2.449 20 30 CEEDHN CC1(C)[C@H](NCC#Cc2ccccc2)[C@@H]2CCO[C@@H]21 ZINC000451468091 331030571 /nfs/dbraw/zinc/03/05/71/331030571.db2.gz JSZKBFIIDVQXOO-XHSDSOJGSA-N 0 3 255.361 2.441 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000451507617 331031986 /nfs/dbraw/zinc/03/19/86/331031986.db2.gz LYFQZOVKCUUPLW-CFVMTHIKSA-N 0 3 282.428 2.060 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000451597972 331035606 /nfs/dbraw/zinc/03/56/06/331035606.db2.gz JLGABHHIBGFVPD-YUELXQCFSA-N 0 3 274.364 2.255 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000451597468 331035623 /nfs/dbraw/zinc/03/56/23/331035623.db2.gz ILZWHNWSOXTABI-KYOSRNDESA-N 0 3 292.354 2.394 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(NC(C)=O)c1 ZINC000451601570 331035885 /nfs/dbraw/zinc/03/58/85/331035885.db2.gz AQOYFXXMRYLCJG-CABCVRRESA-N 0 3 260.337 2.078 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000451677754 331038684 /nfs/dbraw/zinc/03/86/84/331038684.db2.gz VOFPWVNYTRLKMT-FZKCQIBNSA-N 0 3 294.439 2.347 20 30 CEEDHN C=C(C)CN(CCC(N)=O)[C@@H]1CCOc2ccccc21 ZINC000451717055 331040001 /nfs/dbraw/zinc/04/00/01/331040001.db2.gz SIWNAKUSZTXBQN-CQSZACIVSA-N 0 3 274.364 2.264 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)CCN1CCCCCC1 ZINC000451763938 331041357 /nfs/dbraw/zinc/04/13/57/331041357.db2.gz UEDBHLNWRVLZMJ-CVEARBPZSA-N 0 3 294.439 2.302 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](O)CC(C)(C)C1 ZINC000451806167 331043035 /nfs/dbraw/zinc/04/30/35/331043035.db2.gz WMTCPKFCSFYQRT-LSDHHAIUSA-N 0 3 296.455 2.282 20 30 CEEDHN C=CCC[C@@H](O)CN1CCOCC12CCCCC2 ZINC000451818809 331043672 /nfs/dbraw/zinc/04/36/72/331043672.db2.gz ZRKHHLQBPQVIHU-CQSZACIVSA-N 0 3 253.386 2.349 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@]2(CCOC2)C1 ZINC000451901385 331046816 /nfs/dbraw/zinc/04/68/16/331046816.db2.gz MZNJNHRWSYBSEX-WBVHZDCISA-N 0 3 294.439 2.302 20 30 CEEDHN CCO[C@@H]1COC[C@H]1NCc1ccccc1C(C)(C)C#N ZINC000451931253 331047556 /nfs/dbraw/zinc/04/75/56/331047556.db2.gz BCPKAEVYCMLWDG-HZPDHXFCSA-N 0 3 288.391 2.381 20 30 CEEDHN COC(=O)[C@H]1CN(CCCC#N)C[C@H]1c1ccccc1 ZINC000451995176 331049693 /nfs/dbraw/zinc/04/96/93/331049693.db2.gz NBIUZAGUXAGWAN-GJZGRUSLSA-N 0 3 272.348 2.179 20 30 CEEDHN CN(CC(C)(C)CO)C(=O)C(C#N)CCc1ccccc1 ZINC000452910469 331080318 /nfs/dbraw/zinc/08/03/18/331080318.db2.gz AGFPLVQTPZETHT-HNNXBMFYSA-N 0 3 288.391 2.236 20 30 CEEDHN C=C(CC)CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000454622975 331150030 /nfs/dbraw/zinc/15/00/30/331150030.db2.gz RKDVZMSBRWZBIA-CYBMUJFWSA-N 0 3 253.390 2.126 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000457630704 331229557 /nfs/dbraw/zinc/22/95/57/331229557.db2.gz CUNSRVBSCVAERT-ZJIFWQFVSA-N 0 3 294.439 2.203 20 30 CEEDHN C[C@H](CNC(=O)N(C)CC(C)(C)C#N)N1CCCC[C@H]1C ZINC000457706668 331231836 /nfs/dbraw/zinc/23/18/36/331231836.db2.gz MBHZBRRTJBEMRN-ZIAGYGMSSA-N 0 3 294.443 2.440 20 30 CEEDHN C[C@H](CNC(=O)N(C)CC(C)(C)C#N)N1CCC[C@@H](C)C1 ZINC000457717511 331232263 /nfs/dbraw/zinc/23/22/63/331232263.db2.gz UTOBOQMIQNHPRO-ZIAGYGMSSA-N 0 3 294.443 2.298 20 30 CEEDHN CN(C)CCOc1ccc(NC(=O)CCCC#N)cc1F ZINC000458264920 331246755 /nfs/dbraw/zinc/24/67/55/331246755.db2.gz AFLHFOGZMDYRLV-UHFFFAOYSA-N 0 3 293.342 2.398 20 30 CEEDHN C=C(C)CCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000458996771 331265337 /nfs/dbraw/zinc/26/53/37/331265337.db2.gz HZSHRCZJPULRAQ-CQSZACIVSA-N 0 3 279.428 2.468 20 30 CEEDHN C=C(C)CCNC(=O)N1CCCN(C(C)C)CC1 ZINC000459000129 331265528 /nfs/dbraw/zinc/26/55/28/331265528.db2.gz MEFKHMPANRPVEU-UHFFFAOYSA-N 0 3 253.390 2.078 20 30 CEEDHN C=C(C)CCNC(=O)N(CCN(C)C)CC(C)C ZINC000459027142 331267239 /nfs/dbraw/zinc/26/72/39/331267239.db2.gz SGZGQFRYYMXDBZ-UHFFFAOYSA-N 0 3 255.406 2.182 20 30 CEEDHN C=C[C@@H](CO)N[C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC000459557854 331287764 /nfs/dbraw/zinc/28/77/64/331287764.db2.gz FDMSXRPBNVFXBB-ARLBYUKCSA-N 0 3 293.432 2.461 20 30 CEEDHN C=CCOc1ccc(CN2CC(C(C)(C)O)C2)cc1 ZINC000459608179 331290495 /nfs/dbraw/zinc/29/04/95/331290495.db2.gz HOBUDXQRSHNFNA-UHFFFAOYSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCOCCN(C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459822554 331302159 /nfs/dbraw/zinc/30/21/59/331302159.db2.gz HXHQGUNJTLVFND-GFCCVEGCSA-N 0 3 257.374 2.099 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000489051099 332039544 /nfs/dbraw/zinc/03/95/44/332039544.db2.gz XELUDOVOSKBJLA-QWHCGFSZSA-N 0 3 273.380 2.029 20 30 CEEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1cccnc1 ZINC000489435808 332052462 /nfs/dbraw/zinc/05/24/62/332052462.db2.gz MSIZEHOJKLJZAT-AWEZNQCLSA-N 0 3 259.353 2.451 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)C1CCN(CC)CC1 ZINC000489977398 332075468 /nfs/dbraw/zinc/07/54/68/332075468.db2.gz CYRFPSXVTDGDIU-UHFFFAOYSA-N 0 3 275.396 2.230 20 30 CEEDHN C#C[C@@H](NC(=O)C12CCCN1CCC2)c1ccc(F)cc1 ZINC000491229246 332169923 /nfs/dbraw/zinc/16/99/23/332169923.db2.gz GDSHMADQLHHDNR-OAHLLOKOSA-N 0 3 286.350 2.245 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H]1CCC(C)(C)C1 ZINC000491267433 332177883 /nfs/dbraw/zinc/17/78/83/332177883.db2.gz TVGHCPDBZDYRCS-CQSZACIVSA-N 0 3 279.428 2.162 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Cc1ccccc1F ZINC000491268320 332178069 /nfs/dbraw/zinc/17/80/69/332178069.db2.gz YVACSZQPDMDBEF-AWEZNQCLSA-N 0 3 290.382 2.076 20 30 CEEDHN C#CCn1ccc(CN(CCOC)c2ccnc(CC)c2)n1 ZINC000491327896 332191444 /nfs/dbraw/zinc/19/14/44/332191444.db2.gz YVABHUXVFTZDNC-UHFFFAOYSA-N 0 3 298.390 2.127 20 30 CEEDHN C#C[C@@H](C)N(C)C[C@@H](O)COc1cc(C)ccc1Cl ZINC000491375224 332200146 /nfs/dbraw/zinc/20/01/46/332200146.db2.gz VHIYKVOYUUYFOY-CHWSQXEVSA-N 0 3 281.783 2.342 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCCC[C@H]1CC ZINC000491507548 332225530 /nfs/dbraw/zinc/22/55/30/332225530.db2.gz VVXAYWADSMSPGA-CABCVRRESA-N 0 3 264.413 2.274 20 30 CEEDHN C=CCCCN(CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000172179829 335096766 /nfs/dbraw/zinc/09/67/66/335096766.db2.gz TUDLOQDRGDVLEI-ZDUSSCGKSA-N 0 3 259.415 2.242 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000491624861 332248886 /nfs/dbraw/zinc/24/88/86/332248886.db2.gz KZZXLGODAJMRHW-NSHDSACASA-N 0 3 296.317 2.078 20 30 CEEDHN C=CCCCN(CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000172179825 335096890 /nfs/dbraw/zinc/09/68/90/335096890.db2.gz TUDLOQDRGDVLEI-CYBMUJFWSA-N 0 3 259.415 2.242 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC000491629789 332252556 /nfs/dbraw/zinc/25/25/56/332252556.db2.gz MKCCZTOOJRVTIG-UHFFFAOYSA-N 0 3 283.375 2.161 20 30 CEEDHN C#CCNC(=O)C1CCN(Cc2ccc(CC)s2)CC1 ZINC000491662698 332272210 /nfs/dbraw/zinc/27/22/10/332272210.db2.gz LYGHPSSXCWXXSO-UHFFFAOYSA-N 0 3 290.432 2.272 20 30 CEEDHN C#CCNC(=O)C1CCN([C@@H](C)c2ccccc2F)CC1 ZINC000491672800 332279409 /nfs/dbraw/zinc/27/94/09/332279409.db2.gz HWXZQTQRFOEWBC-ZDUSSCGKSA-N 0 3 288.366 2.348 20 30 CEEDHN C#C[C@H](NC(=O)Cc1nc[nH]c1C)c1ccc(Cl)cc1 ZINC000491674540 332280332 /nfs/dbraw/zinc/28/03/32/332280332.db2.gz KLXWBUDLBYYTPQ-ZDUSSCGKSA-N 0 3 287.750 2.405 20 30 CEEDHN C#C[C@H](C)N(C)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000491731747 332313342 /nfs/dbraw/zinc/31/33/42/332313342.db2.gz BBHPVRYTEBEPLD-QWHCGFSZSA-N 0 3 275.348 2.080 20 30 CEEDHN C#C[C@H](NC(=O)C1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000491764252 332332934 /nfs/dbraw/zinc/33/29/34/332332934.db2.gz CDQQJGJLAVZISX-HNNXBMFYSA-N 0 3 290.794 2.472 20 30 CEEDHN C=CCSCCNCc1cnc2ccc(C#N)cn12 ZINC000172339850 335101967 /nfs/dbraw/zinc/10/19/67/335101967.db2.gz QTBYGMDGSLDJKZ-UHFFFAOYSA-N 0 3 272.377 2.215 20 30 CEEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1ccc(OCC)cc1 ZINC000491785972 332348608 /nfs/dbraw/zinc/34/86/08/332348608.db2.gz SZPRFADCAFNSGA-CYBMUJFWSA-N 0 3 274.364 2.367 20 30 CEEDHN C#CCN(C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C1CC1 ZINC000491812535 332364731 /nfs/dbraw/zinc/36/47/31/332364731.db2.gz NYICZCLPHDSEQZ-CXAGYDPISA-N 0 3 290.407 2.341 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)/C=C\C2CCC2)CC1 ZINC000492062521 332381193 /nfs/dbraw/zinc/38/11/93/332381193.db2.gz AESQXLSZFUDDBU-SREVYHEPSA-N 0 3 262.397 2.499 20 30 CEEDHN CN(C)CCN(CCC(C)(C)C#N)Cc1ccccn1 ZINC000568659910 334835529 /nfs/dbraw/zinc/83/55/29/334835529.db2.gz MTNIKCGDOZXWSR-UHFFFAOYSA-N 0 3 274.412 2.385 20 30 CEEDHN C=CCOCCCC(=O)N1CCc2ccccc2[C@H]1CN ZINC000517031178 333090443 /nfs/dbraw/zinc/09/04/43/333090443.db2.gz JJIGSILDRJEIAE-MRXNPFEDSA-N 0 3 288.391 2.054 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](CC)CCC)CC1 ZINC000195144042 333246712 /nfs/dbraw/zinc/24/67/12/333246712.db2.gz MFAZYTYGEIUNHH-CQSZACIVSA-N 0 3 250.386 2.027 20 30 CEEDHN C=CCN(CC1CCCCC1)C(=O)CNC[C@H]1CCCO1 ZINC000236655253 333374412 /nfs/dbraw/zinc/37/44/12/333374412.db2.gz MRBRHYBOAHISOV-MRXNPFEDSA-N 0 3 294.439 2.350 20 30 CEEDHN CC1CC(C#N)(C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000124177660 333556880 /nfs/dbraw/zinc/55/68/80/333556880.db2.gz GFBWHQAMLYWQIQ-NPCAHTBFSA-N 0 3 275.396 2.013 20 30 CEEDHN CC#CCNC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000134972621 334110153 /nfs/dbraw/zinc/11/01/53/334110153.db2.gz KXCXXMDPFLTIQM-INIZCTEOSA-N 0 3 287.407 2.392 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000549528874 334196323 /nfs/dbraw/zinc/19/63/23/334196323.db2.gz YVDQIYMYSXOUCD-KBUPBQIOSA-N 0 3 273.380 2.367 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](C)C[C@@H](C)C1 ZINC000246729135 334268195 /nfs/dbraw/zinc/26/81/95/334268195.db2.gz OPFLWQQVOHBSJH-IIAWOOMASA-N 0 3 279.428 2.409 20 30 CEEDHN COc1cccc2c1CC[C@H](NCC1(C#N)CC1)C2 ZINC000565693782 334587961 /nfs/dbraw/zinc/58/79/61/334587961.db2.gz JOJJAYIZSJVGDB-ZDUSSCGKSA-N 0 3 256.349 2.446 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)SC)CC1 ZINC000155720451 334727945 /nfs/dbraw/zinc/72/79/45/334727945.db2.gz JIDMPHYWQPUWGO-LBPRGKRZSA-N 0 3 285.457 2.078 20 30 CEEDHN CC(C)c1ccc(CCNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000567658945 334747227 /nfs/dbraw/zinc/74/72/27/334747227.db2.gz XDDPUAJWFCLUFY-INIZCTEOSA-N 0 3 287.407 2.490 20 30 CEEDHN C=CCCCCCNC(=O)[C@H](N)Cc1ccccc1 ZINC000580570169 335284753 /nfs/dbraw/zinc/28/47/53/335284753.db2.gz QKQPCPYCJQRQDG-OAHLLOKOSA-N 0 3 260.381 2.419 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](F)C2)CC1 ZINC000580837656 335973655 /nfs/dbraw/zinc/97/36/55/335973655.db2.gz VUOIBCHMRGFZPR-ZDUSSCGKSA-N 0 3 283.391 2.170 20 30 CEEDHN C[C@H]1CC[C@]2(CCN(CC(=O)NC3(C#N)CCC3)C2)C1 ZINC000335959298 533773802 /nfs/dbraw/zinc/77/38/02/533773802.db2.gz VFGROVMSEPGOQB-ZFWWWQNUSA-N 0 3 275.396 2.061 20 30 CEEDHN COc1ccccc1C[C@H]1CCCN1C(=O)C(C)C#N ZINC000347036465 534122916 /nfs/dbraw/zinc/12/29/16/534122916.db2.gz MBYRCQKUKVNDHL-GXTWGEPZSA-N 0 3 272.348 2.388 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC(CC#N)CC1 ZINC000336593458 534147616 /nfs/dbraw/zinc/14/76/16/534147616.db2.gz PNTKVOHVLGIPJL-CHWSQXEVSA-N 0 3 263.385 2.011 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc(CC#N)cc2)CCCN1C ZINC000344878029 534242151 /nfs/dbraw/zinc/24/21/51/534242151.db2.gz HJOXQTSVDFUROA-DOMZBBRYSA-N 0 3 286.379 2.357 20 30 CEEDHN C[C@@H]1[C@H](C)N(Cc2ccc(CC#N)cc2)CCN1C ZINC000334957356 534249638 /nfs/dbraw/zinc/24/96/38/534249638.db2.gz UXNYWQBEURAOKL-KGLIPLIRSA-N 0 3 257.381 2.277 20 30 CEEDHN C[C@H](CNC(=O)C1CCN(C2CC2)CC1)Cn1cccn1 ZINC000330235004 534299110 /nfs/dbraw/zinc/29/91/10/534299110.db2.gz SZJQFXNPFSFXPX-CYBMUJFWSA-N 0 3 290.411 2.350 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(OC)c(Cl)c1 ZINC000184287238 519116720 /nfs/dbraw/zinc/11/67/20/519116720.db2.gz OXTIGHZGUWQZFR-LLVKDONJSA-N 0 3 255.745 2.375 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(OC(F)F)c(OC)c1 ZINC000184271218 519116990 /nfs/dbraw/zinc/11/69/90/519116990.db2.gz KBQXMPDMGUYMFG-LLVKDONJSA-N 0 3 287.306 2.323 20 30 CEEDHN Cc1noc([C@@H]2CCN(CCCC(C)(C)C#N)C2)n1 ZINC000332335193 534460297 /nfs/dbraw/zinc/46/02/97/534460297.db2.gz CQSCBVQHGGEGEK-GFCCVEGCSA-N 0 3 262.357 2.497 20 30 CEEDHN CCCCN(CC)CC(=O)NC1(C#N)CCCCC1 ZINC000052889731 520475055 /nfs/dbraw/zinc/47/50/55/520475055.db2.gz ZXWGIMJWEPITDE-UHFFFAOYSA-N 0 3 265.401 2.451 20 30 CEEDHN Cc1cccc(C)c1OCCCNC(=O)C(C)C#N ZINC000347032089 534679701 /nfs/dbraw/zinc/67/97/01/534679701.db2.gz FVCYUHHCECQGIG-CYBMUJFWSA-N 0 3 260.337 2.348 20 30 CEEDHN Cc1c([C@@H](C)NCCOc2cccc(C#N)c2)cnn1C ZINC000183304639 525893761 /nfs/dbraw/zinc/89/37/61/525893761.db2.gz KYYZNINJPLAWIC-GFCCVEGCSA-N 0 3 284.363 2.330 20 30 CEEDHN C=CCN1CCC(Nc2nc3c(cccc3F)n2C)CC1 ZINC000352846867 526414839 /nfs/dbraw/zinc/41/48/39/526414839.db2.gz UHWZADOYGPRPSJ-UHFFFAOYSA-N 0 3 288.370 2.197 20 30 CEEDHN C=CCOCCCC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000347301494 526738100 /nfs/dbraw/zinc/73/81/00/526738100.db2.gz AAVORDHZFUNPRL-HNNXBMFYSA-N 0 3 280.412 2.102 20 30 CEEDHN C=C(CNC(=O)N1C[C@H](C)NC[C@H]1C)c1ccccc1 ZINC000334927830 526868859 /nfs/dbraw/zinc/86/88/59/526868859.db2.gz HKTYXXSOFIUPEL-UONOGXRCSA-N 0 3 273.380 2.092 20 30 CEEDHN C=C(CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C)c1ccccc1 ZINC000355074337 526874140 /nfs/dbraw/zinc/87/41/40/526874140.db2.gz CELXAHQURFLPQD-GDBMZVCRSA-N 0 3 287.407 2.482 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](C)CC(N)=O)cc1Cl ZINC000344902888 526888023 /nfs/dbraw/zinc/88/80/23/526888023.db2.gz UCBPUDGGWRXCHD-JTQLQIEISA-N 0 3 282.771 2.258 20 30 CEEDHN C=CC1CCN(C(=O)N[C@@H]2CCCN(C)[C@H]2C)CC1 ZINC000344241163 526968261 /nfs/dbraw/zinc/96/82/61/526968261.db2.gz WBZSZNWKANQKDJ-GXTWGEPZSA-N 0 3 265.401 2.077 20 30 CEEDHN C=CCCCCCN1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000367136560 527132353 /nfs/dbraw/zinc/13/23/53/527132353.db2.gz AWCCILGBUPFOJL-AWEZNQCLSA-N 0 3 288.457 2.089 20 30 CEEDHN C=CCCCNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000344565382 527226256 /nfs/dbraw/zinc/22/62/56/527226256.db2.gz PGRNKCDXOZZPJD-CQSZACIVSA-N 0 3 250.386 2.476 20 30 CEEDHN C=CCc1cc(CNC(=O)C(C)C#N)cc(OC)c1OC ZINC000347040900 527242450 /nfs/dbraw/zinc/24/24/50/527242450.db2.gz RYJMGHRPTIYGFW-LLVKDONJSA-N 0 3 288.347 2.208 20 30 CEEDHN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)C(C)C#N ZINC000344569267 528124101 /nfs/dbraw/zinc/12/41/01/528124101.db2.gz FWCFZXHVOZNYQQ-CHWSQXEVSA-N 0 3 288.347 2.225 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)NCCc1ccon1 ZINC000329110865 528227916 /nfs/dbraw/zinc/22/79/16/528227916.db2.gz QOEPUPRVHVOODZ-LBPRGKRZSA-N 0 3 251.330 2.048 20 30 CEEDHN CCOc1cc2c(cc1CNC(=O)C(C)C#N)O[C@@H](C)C2 ZINC000347054366 528340291 /nfs/dbraw/zinc/34/02/91/528340291.db2.gz TWGNFGRVNQZEJH-QWRGUYRKSA-N 0 3 288.347 2.185 20 30 CEEDHN CC(C)[C@@H](C(=O)N(C)C[C@@H](C)C#N)N1CCCCC1 ZINC000354740856 528350817 /nfs/dbraw/zinc/35/08/17/528350817.db2.gz XTMATDDOBMMTDI-KBPBESRZSA-N 0 3 265.401 2.115 20 30 CEEDHN CCC(=O)N1CC[C@H](N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000125877813 528380749 /nfs/dbraw/zinc/38/07/49/528380749.db2.gz PQHJUIYNUJLHIS-DOMZBBRYSA-N 0 3 271.364 2.220 20 30 CEEDHN CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000347949884 528537004 /nfs/dbraw/zinc/53/70/04/528537004.db2.gz BUHVMFXNQSKXOR-AWEZNQCLSA-N 0 3 255.321 2.157 20 30 CEEDHN CCN(CCOc1cccc(C#N)c1)C[C@H]1CCCO1 ZINC000048954074 528574121 /nfs/dbraw/zinc/57/41/21/528574121.db2.gz IPRQYRKKVGYGKQ-MRXNPFEDSA-N 0 3 274.364 2.438 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412208708 528900169 /nfs/dbraw/zinc/90/01/69/528900169.db2.gz XAAZYKXSKYLIAX-DLBZAZTESA-N 0 3 299.418 2.460 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)c2ccc3nccnc3c2)C1 ZINC000329016538 529047288 /nfs/dbraw/zinc/04/72/88/529047288.db2.gz KHPWYJAEOPLWLZ-CYBMUJFWSA-N 0 3 284.363 2.419 20 30 CEEDHN C=C(C)CNC(=S)N1CCC[C@H]1CN1CCCCC1 ZINC000727699883 574454711 /nfs/dbraw/zinc/45/47/11/574454711.db2.gz DBDHWWPRIYSCJG-AWEZNQCLSA-N 0 3 281.469 2.387 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2ccc(F)cc2F)CC1 ZINC000740735706 574477738 /nfs/dbraw/zinc/47/77/38/574477738.db2.gz NGNSNGRMQDEZGY-UHFFFAOYSA-N 0 3 292.329 2.182 20 30 CEEDHN C=CCN(C(=O)NC[C@@H](C)N(C)C1CC1)C(C)C ZINC000729618046 574489986 /nfs/dbraw/zinc/48/99/86/574489986.db2.gz YANUYPHVYPACJJ-GFCCVEGCSA-N 0 3 253.390 2.075 20 30 CEEDHN C=CCOCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000729888020 574494318 /nfs/dbraw/zinc/49/43/18/574494318.db2.gz AROMENZJNWJRCC-GFCCVEGCSA-N 0 3 292.722 2.190 20 30 CEEDHN C#CCOCCN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000753761655 574515440 /nfs/dbraw/zinc/51/54/40/574515440.db2.gz OKZIVHGQSYBGOI-CQSZACIVSA-N 0 3 286.375 2.114 20 30 CEEDHN C=C(CN(C)C)C(=O)Nc1cnc2ccccc2c1 ZINC000764051817 574594315 /nfs/dbraw/zinc/59/43/15/574594315.db2.gz ILGCULCTYMYGAM-UHFFFAOYSA-N 0 3 255.321 2.291 20 30 CEEDHN C#CCNC(=O)CN[C@H](c1ccccc1)C1CCCC1 ZINC000731845673 574603805 /nfs/dbraw/zinc/60/38/05/574603805.db2.gz GJZBEBNQISODNF-QGZVFWFLSA-N 0 3 270.376 2.257 20 30 CEEDHN CCCCCCCC(=O)N(C)CCCN1CCN(C)CC1 ZINC000731885304 574605247 /nfs/dbraw/zinc/60/52/47/574605247.db2.gz MRQBHRBORXYBHF-UHFFFAOYSA-N 0 3 297.487 2.443 20 30 CEEDHN C=CCNC(=S)N(C)c1ccc(OCCN(C)C)cc1 ZINC000731945853 574607352 /nfs/dbraw/zinc/60/73/52/574607352.db2.gz QAGBMDRVPGBTNH-UHFFFAOYSA-N 0 3 293.436 2.124 20 30 CEEDHN C#Cc1ccc(C(=O)NCCN2CCCC[C@@H]2CC)cn1 ZINC000733272583 574660772 /nfs/dbraw/zinc/66/07/72/574660772.db2.gz HOYCAKTWEIXCSL-INIZCTEOSA-N 0 3 285.391 2.057 20 30 CEEDHN C#CCCNC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000733338190 574665765 /nfs/dbraw/zinc/66/57/65/574665765.db2.gz SCBNJHLEWOLQCF-KRWDZBQOSA-N 0 3 299.418 2.146 20 30 CEEDHN C=CCOCC(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000735220350 574746993 /nfs/dbraw/zinc/74/69/93/574746993.db2.gz NBZTVBIRLCTHJS-HNNXBMFYSA-N 0 3 275.348 2.007 20 30 CEEDHN C=CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000735412773 574756070 /nfs/dbraw/zinc/75/60/70/574756070.db2.gz KOKYQGFKWBXTID-UHFFFAOYSA-N 0 3 269.352 2.407 20 30 CEEDHN C=CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000735412773 574756073 /nfs/dbraw/zinc/75/60/73/574756073.db2.gz KOKYQGFKWBXTID-UHFFFAOYSA-N 0 3 269.352 2.407 20 30 CEEDHN C=CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000735412773 574756075 /nfs/dbraw/zinc/75/60/75/574756075.db2.gz KOKYQGFKWBXTID-UHFFFAOYSA-N 0 3 269.352 2.407 20 30 CEEDHN C=CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000735412773 574756078 /nfs/dbraw/zinc/75/60/78/574756078.db2.gz KOKYQGFKWBXTID-UHFFFAOYSA-N 0 3 269.352 2.407 20 30 CEEDHN CCCCCCNC(=O)[C@H]1CCCN(C(=O)C(C)C#N)C1 ZINC000736673005 574794399 /nfs/dbraw/zinc/79/43/99/574794399.db2.gz SLNFJCCLJPQUPJ-KGLIPLIRSA-N 0 3 293.411 2.081 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2ccc(F)c(F)c2)CC1 ZINC000740737295 574967019 /nfs/dbraw/zinc/96/70/19/574967019.db2.gz JYYZBCYFUKYRFL-UHFFFAOYSA-N 0 3 292.329 2.182 20 30 CEEDHN C[C@H]1CC(N=Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000741451862 574987280 /nfs/dbraw/zinc/98/72/80/574987280.db2.gz XMXPHGQKQXKCSB-JTQLQIEISA-N 0 3 262.313 2.477 20 30 CEEDHN Cc1ccc([C@H](C)C(=O)C(C#N)C(=O)Nc2ccccn2)o1 ZINC000744039017 575112692 /nfs/dbraw/zinc/11/26/92/575112692.db2.gz HABMIZATSNMACR-RYUDHWBXSA-N 0 3 297.314 2.434 20 30 CEEDHN C#CCNC(=O)CN1CC[C@H](c2ccccc2)[C@H](CC)C1 ZINC000746674039 575162692 /nfs/dbraw/zinc/16/26/92/575162692.db2.gz MLRCWMZJDMQAJX-WBVHZDCISA-N 0 3 284.403 2.252 20 30 CEEDHN CCCCCCCN1CCC(O)(C(=O)OCC)CC1 ZINC000749800934 575235050 /nfs/dbraw/zinc/23/50/50/575235050.db2.gz CAFVSYKRKJZEMH-UHFFFAOYSA-N 0 3 271.401 2.347 20 30 CEEDHN C#CCSCCNCc1cc(OC)c(OC)cc1C ZINC000751505596 575290809 /nfs/dbraw/zinc/29/08/09/575290809.db2.gz HLSZNGGCSIUCQM-UHFFFAOYSA-N 0 3 279.405 2.468 20 30 CEEDHN C#C[C@H](CC)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000753141197 575320550 /nfs/dbraw/zinc/32/05/50/575320550.db2.gz VJNNLGODODNYJX-IAGOWNOFSA-N 0 3 299.418 2.362 20 30 CEEDHN Cc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2)nc1 ZINC000753535006 575329348 /nfs/dbraw/zinc/32/93/48/575329348.db2.gz YVDGZXLOCGNUEO-CYBMUJFWSA-N 0 3 279.299 2.351 20 30 CEEDHN C#CCOCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000753765982 575340564 /nfs/dbraw/zinc/34/05/64/575340564.db2.gz DWSFVJNTCKLLSG-GFCCVEGCSA-N 0 3 262.309 2.204 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC000983428198 613004770 /nfs/dbraw/zinc/00/47/70/613004770.db2.gz FVLRYECFIGYAKH-DOTOQJQBSA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCC[N@H+](CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823845371 608031602 /nfs/dbraw/zinc/03/16/02/608031602.db2.gz PQXIUPPQCVEMHI-UHFFFAOYSA-N 0 3 269.352 2.102 20 30 CEEDHN C#CCC[N@@H+](CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823845371 608031603 /nfs/dbraw/zinc/03/16/03/608031603.db2.gz PQXIUPPQCVEMHI-UHFFFAOYSA-N 0 3 269.352 2.102 20 30 CEEDHN C#CCC[N@H+](CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823845371 608031604 /nfs/dbraw/zinc/03/16/04/608031604.db2.gz PQXIUPPQCVEMHI-UHFFFAOYSA-N 0 3 269.352 2.102 20 30 CEEDHN C#CCC[N@@H+](CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823845371 608031601 /nfs/dbraw/zinc/03/16/01/608031601.db2.gz PQXIUPPQCVEMHI-UHFFFAOYSA-N 0 3 269.352 2.102 20 30 CEEDHN C=C(C)C[N@H+](C)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000823878023 609370709 /nfs/dbraw/zinc/37/07/09/609370709.db2.gz MLPYOZNFJGTVHZ-UHFFFAOYSA-N 0 3 261.304 2.014 20 30 CEEDHN C=C(C)C[N@@H+](C)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000823878023 609370712 /nfs/dbraw/zinc/37/07/12/609370712.db2.gz MLPYOZNFJGTVHZ-UHFFFAOYSA-N 0 3 261.304 2.014 20 30 CEEDHN C=C(C)C[N@H+](C)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000823878023 609370715 /nfs/dbraw/zinc/37/07/15/609370715.db2.gz MLPYOZNFJGTVHZ-UHFFFAOYSA-N 0 3 261.304 2.014 20 30 CEEDHN C=C(C)C[N@@H+](C)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000823878023 609370706 /nfs/dbraw/zinc/37/07/06/609370706.db2.gz MLPYOZNFJGTVHZ-UHFFFAOYSA-N 0 3 261.304 2.014 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000969802946 612962485 /nfs/dbraw/zinc/96/24/85/612962485.db2.gz QBXWXJGGIONJSR-SWLSCSKDSA-N 0 3 290.794 2.267 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@]2(c3ccccc3)CC2(C)C)C1 ZINC000970320153 612962968 /nfs/dbraw/zinc/96/29/68/612962968.db2.gz PWVHXQVIIVROQF-APWZRJJASA-N 0 3 296.414 2.178 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC000970428794 612966208 /nfs/dbraw/zinc/96/62/08/612966208.db2.gz KFLWSWLVMMWEJL-QGZVFWFLSA-N 0 3 294.354 2.384 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(C(C)C)cn2)C1 ZINC000970424118 612997570 /nfs/dbraw/zinc/99/75/70/612997570.db2.gz SUMCHPCKEOMOIZ-AWEZNQCLSA-N 0 3 299.418 2.278 20 30 CEEDHN C#CCCN1CCCN(C(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC000981226906 613003062 /nfs/dbraw/zinc/00/30/62/613003062.db2.gz NZAITOBALTWGGB-HOTGVXAUSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC000981844093 613005106 /nfs/dbraw/zinc/00/51/06/613005106.db2.gz BKXBIZURWSWOLH-HOTGVXAUSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(CC)n2)C1 ZINC000966784463 613014298 /nfs/dbraw/zinc/01/42/98/613014298.db2.gz JPNCPUJJNOIRFW-PBHICJAKSA-N 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ZINC000991100921 637254049 /nfs/dbraw/zinc/25/40/49/637254049.db2.gz RHCALWPDFKOTQQ-PNBKFKSVSA-N 0 3 292.423 2.101 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCc1ccccc1 ZINC000876549684 650320227 /nfs/dbraw/zinc/32/02/27/650320227.db2.gz ULWKHOLXAVVNOZ-CYBMUJFWSA-N 0 3 266.772 2.205 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc2ccccc2n1CC ZINC000876551081 650321569 /nfs/dbraw/zinc/32/15/69/650321569.db2.gz JRVMFARWSAYQER-SNVBAGLBSA-N 0 3 292.770 2.465 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(F)cc1 ZINC000876557295 650325092 /nfs/dbraw/zinc/32/50/92/650325092.db2.gz WMNHVMYEVGKHNW-GFCCVEGCSA-N 0 3 270.735 2.254 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000831679310 637408789 /nfs/dbraw/zinc/40/87/89/637408789.db2.gz ULDGWRIJVYAGAX-OAGGEKHMSA-N 0 3 286.375 2.033 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCOc1ccc(C)cc1 ZINC000876569366 650334593 /nfs/dbraw/zinc/33/45/93/650334593.db2.gz RUCIQNHABBJNIN-CQSZACIVSA-N 0 3 296.798 2.302 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000876574359 650338854 /nfs/dbraw/zinc/33/88/54/650338854.db2.gz CECYUFLSRPUBEB-ZIAGYGMSSA-N 0 3 294.782 2.056 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000876581033 650345565 /nfs/dbraw/zinc/34/55/65/650345565.db2.gz XLHXODZIPBBOMI-AGIUHOORSA-N 0 3 264.756 2.129 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)C1Cc2ccccc2C1 ZINC000876614429 650359705 /nfs/dbraw/zinc/35/97/05/650359705.db2.gz NCSYAXQWSYVFBP-CQSZACIVSA-N 0 3 278.783 2.082 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)c1ccc(OC)c(OC)c1 ZINC000876623754 650364375 /nfs/dbraw/zinc/36/43/75/650364375.db2.gz SUALFAGNPZULSM-NSHDSACASA-N 0 3 298.770 2.137 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](OCCC)CC1 ZINC000876651804 650377086 /nfs/dbraw/zinc/37/70/86/650377086.db2.gz GLMONIJIRXPESU-QWHCGFSZSA-N 0 3 288.819 2.264 20 30 CEEDHN CN(C)c1ccc(/C=C/C=NN[C@H]2CCOC2)cc1 ZINC000834976759 638007236 /nfs/dbraw/zinc/00/72/36/638007236.db2.gz HKDIFIBIJDDNNE-PJZWOGFKSA-N 0 3 259.353 2.130 20 30 CEEDHN CC1(C)OCC[C@@H]1NN=C1CCCc2cc(N)ccc21 ZINC000835022004 638028141 /nfs/dbraw/zinc/02/81/41/638028141.db2.gz UPVPRMKCSMIKRX-HNNXBMFYSA-N 0 3 273.380 2.466 20 30 CEEDHN C#CCCCCCCN1CCN(Cc2nccn2C)CC1 ZINC000876694308 650403320 /nfs/dbraw/zinc/40/33/20/650403320.db2.gz OSCXOSNVYVZXQH-UHFFFAOYSA-N 0 3 288.439 2.121 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCOc2c(F)cccc21 ZINC000876694317 650403596 /nfs/dbraw/zinc/40/35/96/650403596.db2.gz OVVZBAVFXMOBQF-VXGBXAGGSA-N 0 3 298.745 2.235 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCCO[C@@H]1C(C)C ZINC000876701904 650405515 /nfs/dbraw/zinc/40/55/15/650405515.db2.gz ZTANAOUWHQJQPA-FRRDWIJNSA-N 0 3 288.819 2.024 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000876701142 650405591 /nfs/dbraw/zinc/40/55/91/650405591.db2.gz NYDCOKIVIOGQRY-NEPJUHHUSA-N 0 3 298.818 2.093 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)c1nc(C)cs1 ZINC000876754827 650421130 /nfs/dbraw/zinc/42/11/30/650421130.db2.gz FUVYBVOKFJGVMW-VHSXEESVSA-N 0 3 287.816 2.489 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1cccc(F)c1 ZINC000912001061 638512752 /nfs/dbraw/zinc/51/27/52/638512752.db2.gz CRLZVJKFOIKPDE-AWEZNQCLSA-N 0 3 264.344 2.468 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCCC[C@H]1CC ZINC000836242151 638583776 /nfs/dbraw/zinc/58/37/76/638583776.db2.gz JJAJAXSYDLPVLX-CABCVRRESA-N 0 3 279.428 2.210 20 30 CEEDHN C#CCCNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000836301565 638593651 /nfs/dbraw/zinc/59/36/51/638593651.db2.gz OSVSQBDIYLFNDC-MRXNPFEDSA-N 0 3 299.418 2.173 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1ccccc1C ZINC000836488271 638648164 /nfs/dbraw/zinc/64/81/64/638648164.db2.gz UZOBDRYCLIVTFX-OAHLLOKOSA-N 0 3 287.407 2.310 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H](CC(C)(C)C)C1 ZINC000836491407 638648952 /nfs/dbraw/zinc/64/89/52/638648952.db2.gz RENRZONBJODDNZ-HNNXBMFYSA-N 0 3 293.455 2.409 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCc2cc(N)ccc21 ZINC000876810823 650441871 /nfs/dbraw/zinc/44/18/71/650441871.db2.gz ZNFSAORUQAFLTK-KBPBESRZSA-N 0 3 293.798 2.232 20 30 CEEDHN CCOC(=O)[C@@H](CCCC(C)C)NC(=O)C(C#N)CC ZINC000924847855 638761319 /nfs/dbraw/zinc/76/13/19/638761319.db2.gz FPZBPBJZNBVCCR-QWHCGFSZSA-N 0 3 282.384 2.410 20 30 CEEDHN CC(C)[C@@H]1CN(C(=O)[C@]2(C#N)CC3CCC2CC3)CCN1 ZINC000912765600 639011787 /nfs/dbraw/zinc/01/17/87/639011787.db2.gz GQSZCLJBLOSMNL-NDTCATRNSA-N 0 3 289.423 2.163 20 30 CEEDHN C#Cc1cccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000837105583 639053464 /nfs/dbraw/zinc/05/34/64/639053464.db2.gz QJAMBHIEVMAKAR-KBPBESRZSA-N 0 3 270.376 2.157 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(c2ccncc2)CC1 ZINC000876874940 650468070 /nfs/dbraw/zinc/46/80/70/650468070.db2.gz MNOPRTDKTZCGAR-AWEZNQCLSA-N 0 3 293.798 2.258 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1NCCOC ZINC000876877577 650469466 /nfs/dbraw/zinc/46/94/66/650469466.db2.gz XORPYWLMXOWSFT-LLVKDONJSA-N 0 3 297.786 2.153 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1NCCOC ZINC000876877579 650469630 /nfs/dbraw/zinc/46/96/30/650469630.db2.gz XORPYWLMXOWSFT-NSHDSACASA-N 0 3 297.786 2.153 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](CC)c1ccncc1 ZINC000876886283 650473787 /nfs/dbraw/zinc/47/37/87/650473787.db2.gz UWXIOLNBJRFSGI-OLZOCXBDSA-N 0 3 281.787 2.461 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000837328824 639188027 /nfs/dbraw/zinc/18/80/27/639188027.db2.gz HAUZUDJTFLUTKU-SOUVJXGZSA-N 0 3 279.428 2.065 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)C#CC(C)(C)C ZINC000837346369 639196460 /nfs/dbraw/zinc/19/64/60/639196460.db2.gz WZSQGSYXXUTVPY-ZDUSSCGKSA-N 0 3 250.386 2.027 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1c(C)[nH]nc1C(F)F ZINC000876902459 650479599 /nfs/dbraw/zinc/47/95/99/650479599.db2.gz CRBBLSPNOGQNPF-ZCFIWIBFSA-N 0 3 278.690 2.064 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccc(Cl)cn1 ZINC000876906534 650481455 /nfs/dbraw/zinc/48/14/55/650481455.db2.gz BKBKGLMAHPYPGJ-WCBMZHEXSA-N 0 3 288.178 2.382 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C#CC(C)(C)C ZINC000837587857 639296512 /nfs/dbraw/zinc/29/65/12/639296512.db2.gz LJMMKCDWJHSKKF-ZDUSSCGKSA-N 0 3 264.413 2.273 20 30 CEEDHN N#Cc1c(NC(=O)[C@H]2CC[C@@H]3CCCCN23)n[nH]c1C1CC1 ZINC000913531288 639314872 /nfs/dbraw/zinc/31/48/72/639314872.db2.gz JQIZZZWOJOVEAW-WCQYABFASA-N 0 3 299.378 2.114 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1Cc1ccccc1 ZINC000837656528 639328873 /nfs/dbraw/zinc/32/88/73/639328873.db2.gz QJNNEVKIDIVBBY-PBHICJAKSA-N 0 3 282.387 2.179 20 30 CEEDHN COc1cc(C)cc(CN2CCC(C#N)CC2)c1O ZINC000164228039 639354841 /nfs/dbraw/zinc/35/48/41/639354841.db2.gz OFGYBXQBZNPSTJ-UHFFFAOYSA-N 0 3 260.337 2.445 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000876946704 650500721 /nfs/dbraw/zinc/50/07/21/650500721.db2.gz OLVVLZMYCQNIBY-SNVBAGLBSA-N 0 3 295.770 2.074 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC(F)(F)C(C)(C)C ZINC000876977112 650515512 /nfs/dbraw/zinc/51/55/12/650515512.db2.gz WYJAIYKBXUSUEV-QMMMGPOBSA-N 0 3 268.735 2.254 20 30 CEEDHN CC(=CN=NC1=NCCN1)Cc1ccccc1OC(F)F ZINC000841658933 639825699 /nfs/dbraw/zinc/82/56/99/639825699.db2.gz FXMAVBWUEVIEGZ-DQOOHCHXSA-N 0 3 294.305 2.226 20 30 CEEDHN C#CCCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000172939220 639830315 /nfs/dbraw/zinc/83/03/15/639830315.db2.gz UFHVPRMALNPBJQ-UHFFFAOYSA-N 0 3 270.376 2.426 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)CCC(F)(F)F ZINC000173944567 639885187 /nfs/dbraw/zinc/88/51/87/639885187.db2.gz JBGORSOSUFBOMN-VIFPVBQESA-N 0 3 278.274 2.344 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc(F)ccc2CC)C1 ZINC001015090146 640003564 /nfs/dbraw/zinc/00/35/64/640003564.db2.gz OXQQFOCVRZPZAJ-OAHLLOKOSA-N 0 3 288.366 2.216 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccnc(C)c3)CCC[C@H]12 ZINC000992356838 640032572 /nfs/dbraw/zinc/03/25/72/640032572.db2.gz CMTILFQWULPVQW-FUHWJXTLSA-N 0 3 297.402 2.140 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(OC)o3)CCC[C@H]12 ZINC000992363662 640033799 /nfs/dbraw/zinc/03/37/99/640033799.db2.gz IETWRWGSTPODLA-XJKSGUPXSA-N 0 3 290.363 2.201 20 30 CEEDHN CC[C@H](C)OCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000152299739 640202896 /nfs/dbraw/zinc/20/28/96/640202896.db2.gz YRJOZAFAUZPGMA-GXTWGEPZSA-N 0 3 288.347 2.458 20 30 CEEDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@H]1C)c1ccc(C#N)cc1 ZINC000914206538 640273358 /nfs/dbraw/zinc/27/33/58/640273358.db2.gz RMWWOYDQEOONDZ-HUBLWGQQSA-N 0 3 286.379 2.011 20 30 CEEDHN C#CCC1(NC(=O)N[C@H]2CCCN(C)C2)CCCCC1 ZINC000914314825 640310838 /nfs/dbraw/zinc/31/08/38/640310838.db2.gz DSLVHUCBKCBKBM-AWEZNQCLSA-N 0 3 277.412 2.106 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C)no2)[C@H]1C ZINC000993032424 640409220 /nfs/dbraw/zinc/40/92/20/640409220.db2.gz RJPAINSDUWSLIO-CHWSQXEVSA-N 0 3 277.368 2.142 20 30 CEEDHN C=CCN1CCC[C@H](NC(=O)CC2CCC2)[C@H]1C ZINC000993137535 640475315 /nfs/dbraw/zinc/47/53/15/640475315.db2.gz KKPVXNVCEKVGJV-OCCSQVGLSA-N 0 3 250.386 2.332 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cncc(F)c2)[C@H]1C ZINC000993186871 640524447 /nfs/dbraw/zinc/52/44/47/640524447.db2.gz ODJCKVCHGSACII-IUODEOHRSA-N 0 3 291.370 2.380 20 30 CEEDHN C#C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000843967197 640566519 /nfs/dbraw/zinc/56/65/19/640566519.db2.gz JQOURIFLDBDVKO-FMKPAKJESA-N 0 3 270.376 2.350 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC000993327908 640608913 /nfs/dbraw/zinc/60/89/13/640608913.db2.gz LVLFIAGYRMQEPB-UKRRQHHQSA-N 0 3 276.424 2.415 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc[nH]c2)[C@H]1C ZINC000993362725 640624576 /nfs/dbraw/zinc/62/45/76/640624576.db2.gz NYHMWRRLEVTYIC-TZMCWYRMSA-N 0 3 261.369 2.174 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001015670796 640650260 /nfs/dbraw/zinc/65/02/60/640650260.db2.gz PXMJYDVPYUWIAS-KGLIPLIRSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1C ZINC000993702495 640671245 /nfs/dbraw/zinc/67/12/45/640671245.db2.gz JYDBNUDIZUOWPM-AALSBFMBSA-N 0 3 274.408 2.025 20 30 CEEDHN C=C[C@H](C)ONC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000845628474 641027015 /nfs/dbraw/zinc/02/70/15/641027015.db2.gz YKVBOWABPPTKSD-AEGPPILISA-N 0 3 289.379 2.237 20 30 CEEDHN C=C[C@@H](C)ONC(=O)N1CCN(C2CCCCC2)CC1 ZINC000845627511 641027072 /nfs/dbraw/zinc/02/70/72/641027072.db2.gz GXRGZDYIIDFHFC-CYBMUJFWSA-N 0 3 281.400 2.152 20 30 CEEDHN C=C[C@H](C)ONC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000845638077 641032676 /nfs/dbraw/zinc/03/26/76/641032676.db2.gz CDUBLHIRJKWLRV-AWEZNQCLSA-N 0 3 291.395 2.266 20 30 CEEDHN C=CCOCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845878979 641117326 /nfs/dbraw/zinc/11/73/26/641117326.db2.gz XAWXUIXCYQKOJE-IINYFYTJSA-N 0 3 297.282 2.278 20 30 CEEDHN CC1(CNCc2cccc(OCCCC#N)c2)OCCO1 ZINC000179556447 641364401 /nfs/dbraw/zinc/36/44/01/641364401.db2.gz UVUFALMYLJSSMQ-UHFFFAOYSA-N 0 3 290.363 2.222 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@H](O)c1ccco1 ZINC000237950723 641405265 /nfs/dbraw/zinc/40/52/65/641405265.db2.gz WYMXBMDZPUDFFB-CQSZACIVSA-N 0 3 271.316 2.115 20 30 CEEDHN C=C1CCN(C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846802924 641428270 /nfs/dbraw/zinc/42/82/70/641428270.db2.gz KXWYDZZVESWYCW-INIZCTEOSA-N 0 3 296.411 2.010 20 30 CEEDHN CC[C@@H](N)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000877291783 650659996 /nfs/dbraw/zinc/65/99/96/650659996.db2.gz NINFKMZYUPDXAI-GHMZBOCLSA-N 0 3 285.269 2.015 20 30 CEEDHN C#C[C@@H]1CCCN(CCOc2ccccc2OC)C1 ZINC000847022679 641529170 /nfs/dbraw/zinc/52/91/70/641529170.db2.gz IUNMXSQHOFDVRE-CQSZACIVSA-N 0 3 259.349 2.419 20 30 CEEDHN C#C[C@H]1CCCN(C[C@@H]2COc3ccccc3O2)C1 ZINC000847029153 641534794 /nfs/dbraw/zinc/53/47/94/641534794.db2.gz LGRUAGUZARNEKO-UONOGXRCSA-N 0 3 257.333 2.172 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCC[C@H]1C=CCC1 ZINC000877308738 650668058 /nfs/dbraw/zinc/66/80/58/650668058.db2.gz YJQGIEAKYQAGDS-UONOGXRCSA-N 0 3 263.385 2.260 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCc1cccc2ncccc12 ZINC000877314389 650669553 /nfs/dbraw/zinc/66/95/53/650669553.db2.gz APQJMGOCIVNZGH-HNNXBMFYSA-N 0 3 296.374 2.262 20 30 CEEDHN CCCOc1ccc(C(C)=NNC(=N)N)cc1OCCC ZINC000252447404 641578921 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650729986 /nfs/dbraw/zinc/72/99/86/650729986.db2.gz KFYNRZXKOQZYKK-INIZCTEOSA-N 0 3 287.407 2.217 20 30 CEEDHN CO[C@H]1CN(Cc2cc(C#N)ccc2N(C)C)CC[C@@H]1C ZINC000877465800 650731819 /nfs/dbraw/zinc/73/18/19/650731819.db2.gz YHMWEFMLVHZDQH-GUYCJALGSA-N 0 3 287.407 2.481 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)c2[nH]c(C)cc2C)CC1 ZINC000997182319 642227762 /nfs/dbraw/zinc/22/77/62/642227762.db2.gz WPDYNQMHTHCREE-CQSZACIVSA-N 0 3 287.407 2.095 20 30 CEEDHN N#CC1(CNC(=N)Nc2cc(F)ccc2F)CC1 ZINC000849025723 642238725 /nfs/dbraw/zinc/23/87/25/642238725.db2.gz FQVXXCLCWBGFPU-UHFFFAOYSA-N 0 3 250.252 2.205 20 30 CEEDHN C=C(C)CNC(=[NH2+])NCc1cc(Br)ccc1[O-] ZINC000849027738 642241418 /nfs/dbraw/zinc/24/14/18/642241418.db2.gz JUQJUKPOSSOKQK-UHFFFAOYSA-N 0 3 298.184 2.345 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccccc2F)CC1 ZINC000997459986 642266458 /nfs/dbraw/zinc/26/64/58/642266458.db2.gz NQPPRPUVFHZGSA-ZDUSSCGKSA-N 0 3 288.366 2.289 20 30 CEEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccc(C)nc2)CC1 ZINC000997488692 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C#CCN(C[C@@H](O)CC(C)(C)O)[C@@H]1CCc2ccccc21 ZINC000877992103 650969466 /nfs/dbraw/zinc/96/94/66/650969466.db2.gz WWOKNRYPTUFAFW-DOTOQJQBSA-N 0 3 287.403 2.131 20 30 CEEDHN C#CCN(C[C@H]1CCc2ncnn21)[C@@H]1CCc2ccccc21 ZINC000877990205 650968751 /nfs/dbraw/zinc/96/87/51/650968751.db2.gz BCPKNVSFKIKHLT-NVXWUHKLSA-N 0 3 292.386 2.388 20 30 CEEDHN C#CC[C@@H](CCOC)NCc1ccc(OC)cc1F ZINC000858334143 645121999 /nfs/dbraw/zinc/12/19/99/645121999.db2.gz HVDUXCOUOVZMCP-ZDUSSCGKSA-N 0 3 265.328 2.352 20 30 CEEDHN C#CC[C@H](CCOC)NCc1cccnc1Cl ZINC000858333963 645122492 /nfs/dbraw/zinc/12/24/92/645122492.db2.gz QKGPCAZTUBWQOD-GFCCVEGCSA-N 0 3 252.745 2.253 20 30 CEEDHN C[C@H]1CN(CC#Cc2cccc(Cl)c2)CCN1C ZINC000761077547 645232451 /nfs/dbraw/zinc/23/24/51/645232451.db2.gz MLCSWIFWLZNYTF-ZDUSSCGKSA-N 0 3 262.784 2.327 20 30 CEEDHN C=C1CCN(C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000878087593 650993953 /nfs/dbraw/zinc/99/39/53/650993953.db2.gz RTFAYHCHWXPDBO-CQSZACIVSA-N 0 3 251.370 2.367 20 30 CEEDHN C=C1CCN(C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000878087800 650994108 /nfs/dbraw/zinc/99/41/08/650994108.db2.gz YORUZTKTARZZLH-CQSZACIVSA-N 0 3 253.386 2.085 20 30 CEEDHN C#CCCOC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000858881301 645280969 /nfs/dbraw/zinc/28/09/69/645280969.db2.gz VCUCDHHGXMMKAG-OAHLLOKOSA-N 0 3 272.348 2.010 20 30 CEEDHN COc1cc(F)ccc1N=NC1CN(C)C[C@H]1C ZINC000761884599 645332353 /nfs/dbraw/zinc/33/23/53/645332353.db2.gz IRCNCKJSUJWZRD-SECBINFHSA-N 0 3 251.305 2.184 20 30 CEEDHN C#CCCOC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000859083378 645354062 /nfs/dbraw/zinc/35/40/62/645354062.db2.gz LFRLKMBUSNXRFM-CABCVRRESA-N 0 3 272.348 2.181 20 30 CEEDHN C#CCN(C[C@@H](O)CC1(O)CCC1)[C@H]1CCc2ccccc21 ZINC000859090037 645356630 /nfs/dbraw/zinc/35/66/30/645356630.db2.gz NMPAQCYBFOZPSY-WMZOPIPTSA-N 0 3 299.414 2.275 20 30 CEEDHN C#CCCCCCC(=O)NCCN1CC=C(C)CC1 ZINC000762704753 645440247 /nfs/dbraw/zinc/44/02/47/645440247.db2.gz FTVDCYTTXVQWTE-UHFFFAOYSA-N 0 3 262.397 2.338 20 30 CEEDHN CN(C(=O)C(C)(C)c1ccc(C#N)cc1)[C@@H]1CCCN(C)C1 ZINC000859586266 645527015 /nfs/dbraw/zinc/52/70/15/645527015.db2.gz LEHUQGGJERDELM-MRXNPFEDSA-N 0 3 299.418 2.388 20 30 CEEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763652764 645564040 /nfs/dbraw/zinc/56/40/40/645564040.db2.gz SGVHUSGYNUYKCJ-CQSZACIVSA-N 0 3 270.332 2.086 20 30 CEEDHN CO[C@H]1CN(C)[C@](C)(COC(=O)CCCCCC#N)C1 ZINC000861354635 646144635 /nfs/dbraw/zinc/14/46/35/646144635.db2.gz XTRPVFGLXXPWLU-HIFRSBDPSA-N 0 3 282.384 2.113 20 30 CEEDHN C=CCC(C)(C)C(=O)OC[C@]1(C)C[C@H](OC)CN1C ZINC000861354171 646144657 /nfs/dbraw/zinc/14/46/57/646144657.db2.gz TTZQZYWPGCJIBD-WFASDCNBSA-N 0 3 269.385 2.241 20 30 CEEDHN C=CCC(C)(C)C(=O)OC[C@@]1(C)C[C@@H](OC)CN1C ZINC000861354167 646145350 /nfs/dbraw/zinc/14/53/50/646145350.db2.gz TTZQZYWPGCJIBD-IUODEOHRSA-N 0 3 269.385 2.241 20 30 CEEDHN C#CC[C@@H]1CCN(Cc2cc(C(=O)OC)c(CC)o2)C1 ZINC000862447342 646465168 /nfs/dbraw/zinc/46/51/68/646465168.db2.gz LWJMOTJLHWINCW-GFCCVEGCSA-N 0 3 275.348 2.474 20 30 CEEDHN C#Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000862526908 646483622 /nfs/dbraw/zinc/48/36/22/646483622.db2.gz GRLZRHVITLOPBT-GJYPPUQNSA-N 0 3 273.401 2.153 20 30 CEEDHN Cc1cc([N-][NH+]=Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000863158603 646656369 /nfs/dbraw/zinc/65/63/69/646656369.db2.gz ITPXPMBQLNZUJC-UHFFFAOYSA-N 0 3 296.374 2.095 20 30 CEEDHN CCn1c(CNC[C@H](O)CC2(C#N)CC2)nc2ccccc21 ZINC000863548108 646753652 /nfs/dbraw/zinc/75/36/52/646753652.db2.gz NZHNJWYRNNDQQN-CYBMUJFWSA-N 0 3 298.390 2.201 20 30 CEEDHN C#C[C@H](NCc1cccc(OCC)c1O)[C@@H]1CCCO1 ZINC000775339703 646941852 /nfs/dbraw/zinc/94/18/52/646941852.db2.gz CYDQVFLWILHFKT-KBPBESRZSA-N 0 3 275.348 2.061 20 30 CEEDHN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1 ZINC000775379351 646947109 /nfs/dbraw/zinc/94/71/09/646947109.db2.gz QRIVPPCWNZBRTH-GJZGRUSLSA-N 0 3 292.404 2.004 20 30 CEEDHN C#CCNC(=O)CN[C@H](CCC=C)c1ccccc1 ZINC000775463560 646956427 /nfs/dbraw/zinc/95/64/27/646956427.db2.gz LPQAAFJFHXVGRO-OAHLLOKOSA-N 0 3 256.349 2.033 20 30 CEEDHN C#CCCN1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000776594853 647077642 /nfs/dbraw/zinc/07/76/42/647077642.db2.gz YZLDFAPDIPGIPJ-UHFFFAOYSA-N 0 3 268.404 2.316 20 30 CEEDHN N#Cc1c[nH]c2cc(C(=O)NCCN3CCCCC3)ccc12 ZINC000864878327 647125875 /nfs/dbraw/zinc/12/58/75/647125875.db2.gz LMZKBDYQZMFEAK-UHFFFAOYSA-N 0 3 296.374 2.255 20 30 CEEDHN COc1nccnc1N=NC(C)CN1CCCCCC1 ZINC000777446551 647137592 /nfs/dbraw/zinc/13/75/92/647137592.db2.gz NSKCYPRCOOIRIB-UHFFFAOYSA-N 0 3 277.372 2.149 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cccnc1Br ZINC000865519929 647337051 /nfs/dbraw/zinc/33/70/51/647337051.db2.gz HWPZJXUYCPWMJD-SNVBAGLBSA-N 0 3 285.185 2.118 20 30 CEEDHN C[C@@H]1C[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2)CCC1=O ZINC000783349259 647709570 /nfs/dbraw/zinc/70/95/70/647709570.db2.gz DRVXSMFSJVOJMC-YRGRVCCFSA-N 0 3 298.342 2.339 20 30 CEEDHN C=CCCN(C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000786100845 647984789 /nfs/dbraw/zinc/98/47/89/647984789.db2.gz BFLNUEZSYGJEFF-UHFFFAOYSA-N 0 3 260.297 2.410 20 30 CEEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1CC1 ZINC000787076330 648070239 /nfs/dbraw/zinc/07/02/39/648070239.db2.gz CGPXQXAOWLXIKC-AWEZNQCLSA-N 0 3 270.332 2.154 20 30 CEEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CC1(C)C ZINC000787066541 648070309 /nfs/dbraw/zinc/07/03/09/648070309.db2.gz NMJJTIBIZCCUQP-UONOGXRCSA-N 0 3 284.359 2.400 20 30 CEEDHN C[C@H](C(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C1CC1 ZINC000787067961 648070342 /nfs/dbraw/zinc/07/03/42/648070342.db2.gz SXWCJTIFSQDPDU-WFASDCNBSA-N 0 3 284.359 2.400 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1cccc(C(F)F)c1 ZINC000790769150 648446138 /nfs/dbraw/zinc/44/61/38/648446138.db2.gz VVQKGHBCQVNMJJ-GFCCVEGCSA-N 0 3 294.301 2.400 20 30 CEEDHN C#C[C@H](CCC)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000791074256 648480176 /nfs/dbraw/zinc/48/01/76/648480176.db2.gz RIYLDZGNVZPLIH-HZPDHXFCSA-N 0 3 287.407 2.390 20 30 CEEDHN COC(=O)c1cc(N=NC2CN(C)C[C@H]2C)ccc1C ZINC000793096888 648707873 /nfs/dbraw/zinc/70/78/73/648707873.db2.gz DWXIJGCXJDDGGC-LLVKDONJSA-N 0 3 275.352 2.131 20 30 CEEDHN COC(=O)CCCN1CCC(=NN[C@H](C)C(C)(C)C)CC1 ZINC000793115145 648709513 /nfs/dbraw/zinc/70/95/13/648709513.db2.gz KPWBOTWXWGOWFD-CYBMUJFWSA-N 0 3 297.443 2.416 20 30 CEEDHN C#CC(C)(C)N(C)C[C@H](O)c1ccc(F)c(F)c1 ZINC000794578642 648888054 /nfs/dbraw/zinc/88/80/54/648888054.db2.gz CSBQCLVYZXKAGN-ZDUSSCGKSA-N 0 3 253.292 2.342 20 30 CEEDHN N#CCCNC1CCN(c2ccccc2C#N)CC1 ZINC000872218879 649319616 /nfs/dbraw/zinc/31/96/16/649319616.db2.gz OMPFVUBPBKVLDS-UHFFFAOYSA-N 0 3 254.337 2.030 20 30 CEEDHN C=C(C)CN1CCC(Nc2ncnc(F)c2C)CC1 ZINC000872446774 649393571 /nfs/dbraw/zinc/39/35/71/649393571.db2.gz QMTKUFGNVGDVJW-UHFFFAOYSA-N 0 3 264.348 2.377 20 30 CEEDHN C#C[C@H]1CC[C@H](NCc2cn(CCC=C)nn2)CC1 ZINC000873197930 649585526 /nfs/dbraw/zinc/58/55/26/649585526.db2.gz JBZNAZAWVMEALP-HDJSIYSDSA-N 0 3 258.369 2.136 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)CN1CCCC1 ZINC000873986373 649735815 /nfs/dbraw/zinc/73/58/15/649735815.db2.gz DAMIJOHIDSDKDZ-UHFFFAOYSA-N 0 3 258.365 2.297 20 30 CEEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@]1(C#N)CC12CCCC2 ZINC000874827758 649843626 /nfs/dbraw/zinc/84/36/26/649843626.db2.gz UBRMEIYHZYVMPU-JJRVBVJISA-N 0 3 287.407 2.156 20 30 CEEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(F)c(C#N)c1 ZINC000874829949 649844195 /nfs/dbraw/zinc/84/41/95/649844195.db2.gz OSLUSBYPXLPTOT-LSDHHAIUSA-N 0 3 287.338 2.006 20 30 CEEDHN CC1(C#N)CCN(C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000878389733 651083721 /nfs/dbraw/zinc/08/37/21/651083721.db2.gz RQQGXGWMFYVMPH-HOTGVXAUSA-N 0 3 288.391 2.097 20 30 CEEDHN C=CC[C@H](C)N1CCN(c2cnccc2C#N)CC1 ZINC000878641269 651148575 /nfs/dbraw/zinc/14/85/75/651148575.db2.gz BCMDGYUCCBLBFX-ZDUSSCGKSA-N 0 3 256.353 2.040 20 30 CEEDHN C[C@H](C#N)OCCN1CCC[C@@H](c2cccnc2)C1 ZINC000878753279 651179575 /nfs/dbraw/zinc/17/95/75/651179575.db2.gz IBXVIMHQFFKDOS-UKRRQHHQSA-N 0 3 259.353 2.190 20 30 CEEDHN C[C@H]1CN(CCc2cccs2)C[C@H](C)N1CC#N ZINC000878772997 651182959 /nfs/dbraw/zinc/18/29/59/651182959.db2.gz FGKIZZXMKPCVSG-STQMWFEESA-N 0 3 263.410 2.209 20 30 CEEDHN CN1CCN(Cc2ccc(C#N)o2)C[C@H]1C(C)(C)C ZINC000878838574 651195656 /nfs/dbraw/zinc/19/56/56/651195656.db2.gz CLPWITVOOZKPGR-AWEZNQCLSA-N 0 3 261.369 2.313 20 30 CEEDHN C[C@@H](C#N)OCCN1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000878903996 651206745 /nfs/dbraw/zinc/20/67/45/651206745.db2.gz JNNQSCCYGUBNSF-DZGCQCFKSA-N 0 3 296.374 2.348 20 30 CEEDHN Cc1cccc(C[C@@]2(C)CCCN2CC(=O)NCCC#N)c1 ZINC000879388221 651296636 /nfs/dbraw/zinc/29/66/36/651296636.db2.gz NMAYAYFPWDBCKA-GOSISDBHSA-N 0 3 299.418 2.422 20 30 CEEDHN C=C(Cl)CN1CCN[C@H](c2cccc(OC)c2)C1 ZINC000879522862 651315577 /nfs/dbraw/zinc/31/55/77/651315577.db2.gz NTVXDYXHVYEJDA-AWEZNQCLSA-N 0 3 266.772 2.394 20 30 CEEDHN COC(=O)[C@]12CCC[C@H]1N(CC#Cc1ccccc1)CC2 ZINC000880183605 651396814 /nfs/dbraw/zinc/39/68/14/651396814.db2.gz VRZRMTYREZUOBI-AEFFLSMTSA-N 0 3 283.371 2.456 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](CF)C1 ZINC000880295372 651417891 /nfs/dbraw/zinc/41/78/91/651417891.db2.gz KMNXNTPEBSMIKQ-QWHCGFSZSA-N 0 3 256.365 2.091 20 30 CEEDHN C#CCC1(O)CCN(CCC(=O)c2ccc(C)cc2)CC1 ZINC000880481128 651448193 /nfs/dbraw/zinc/44/81/93/651448193.db2.gz MVDBDSFVBPKHBR-UHFFFAOYSA-N 0 3 285.387 2.418 20 30 CEEDHN Cc1nc(C#N)cc(NC[C@H](c2cccs2)N(C)C)n1 ZINC000881752972 651874440 /nfs/dbraw/zinc/87/44/40/651874440.db2.gz DOGVSTDCWAYTBT-GFCCVEGCSA-N 0 3 287.392 2.433 20 30 CEEDHN CC[C@](C)(CC(=O)OC)NCc1cc(C#N)ccc1OC ZINC000130022197 652203656 /nfs/dbraw/zinc/20/36/56/652203656.db2.gz UXEGTWRTWOYNAH-MRXNPFEDSA-N 0 3 290.363 2.388 20 30 CEEDHN C#CC[C@H](CO)NCc1cnc(-c2ccccc2F)s1 ZINC000883125829 652370787 /nfs/dbraw/zinc/37/07/87/652370787.db2.gz WGTNGUCPWQQGEF-LLVKDONJSA-N 0 3 290.363 2.423 20 30 CEEDHN C#CC[C@@H](COC)NCc1cccc(Cl)c1N ZINC000883192476 652395468 /nfs/dbraw/zinc/39/54/68/652395468.db2.gz ZWZVMTQUBDHSHF-NSHDSACASA-N 0 3 252.745 2.050 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2C=CCC2)CC1 ZINC000883341989 652436884 /nfs/dbraw/zinc/43/68/84/652436884.db2.gz GYKDTIGOMMSBEU-AWEZNQCLSA-N 0 3 277.412 2.292 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000883401437 652457146 /nfs/dbraw/zinc/45/71/46/652457146.db2.gz MTYGRHDCINSUDB-IUODEOHRSA-N 0 3 291.391 2.435 20 30 CEEDHN C=C(C)C[C@H](CO)[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000883401538 652457403 /nfs/dbraw/zinc/45/74/03/652457403.db2.gz PHLMXEDKTPUWTO-CYBMUJFWSA-N 0 3 265.353 2.208 20 30 CEEDHN Cc1ccc(F)c(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c1 ZINC000884048553 652660532 /nfs/dbraw/zinc/66/05/32/652660532.db2.gz OMSTTXZQEQVARU-BGMSHATGSA-N 0 3 287.338 2.212 20 30 CEEDHN COc1ccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)c(C)c1 ZINC000884071612 652695890 /nfs/dbraw/zinc/69/58/90/652695890.db2.gz ZZXMMDDBVXDKGE-UIORMTCPSA-N 0 3 299.374 2.082 20 30 CEEDHN CC(C)N(C(=O)C1CC2(C1)CNC[C@@H]2C#N)C1CCCC1 ZINC000884086255 652702147 /nfs/dbraw/zinc/70/21/47/652702147.db2.gz SKFNTQZSLIMHQC-UUCFBXCCSA-N 0 3 289.423 2.305 20 30 CEEDHN CC(C)CCN(C(=O)C1CC2(C1)CNC[C@@H]2C#N)C1CC1 ZINC000884087605 652702835 /nfs/dbraw/zinc/70/28/35/652702835.db2.gz JEZVNBFFHZRJNN-UUCFBXCCSA-N 0 3 289.423 2.163 20 30 CEEDHN CC[C@@H]1CCCC[C@H]1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884091585 652703450 /nfs/dbraw/zinc/70/34/50/652703450.db2.gz CGVMEBLJSPHESW-LQCZDEPNSA-N 0 3 289.423 2.211 20 30 CEEDHN CC[C@@H]1CCC[C@@H](NC(=O)C2CC3(C2)CNC[C@H]3C#N)C1 ZINC000884145018 652727681 /nfs/dbraw/zinc/72/76/81/652727681.db2.gz ZXMYZGLLMRSWTB-RJZXRHAOSA-N 0 3 289.423 2.211 20 30 CEEDHN COc1cccc(C)c1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884305764 652789137 /nfs/dbraw/zinc/78/91/37/652789137.db2.gz HLELJMXHFFDUCF-UIORMTCPSA-N 0 3 299.374 2.082 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1N(C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884307182 652789443 /nfs/dbraw/zinc/78/94/43/652789443.db2.gz AXWHHRDCVMMMHL-QVCPJDEESA-N 0 3 289.423 2.163 20 30 CEEDHN C[C@H]1CCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1(C)C ZINC000884332820 652798433 /nfs/dbraw/zinc/79/84/33/652798433.db2.gz WQCBBNOJUHDRGW-PEUXKQIOSA-N 0 3 289.423 2.020 20 30 CEEDHN N#CC1(C[C@@H](O)CN2CCc3ccccc3C2)CCC1 ZINC000885930646 653071205 /nfs/dbraw/zinc/07/12/05/653071205.db2.gz DBVSDAJNVPUKDH-MRXNPFEDSA-N 0 3 270.376 2.490 20 30 CEEDHN Cc1cc(C#N)cc(N2CCN(C3CCCC3)CC2)n1 ZINC000161040583 721861549 /nfs/dbraw/zinc/86/15/49/721861549.db2.gz GYYQNLOBPYCWGD-UHFFFAOYSA-N 0 3 270.380 2.326 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(CC)n[nH]2)[C@H]1CC ZINC001087503755 805615487 /nfs/dbraw/zinc/61/54/87/805615487.db2.gz WPPMOYUAJUMIQZ-DZGCQCFKSA-N 0 3 290.411 2.131 20 30 CEEDHN CN(C)C[C@@H](NC(=O)NCCC#N)c1ccc(Cl)cc1 ZINC000338743401 805658439 /nfs/dbraw/zinc/65/84/39/805658439.db2.gz IPFBRISBFHSVJU-CYBMUJFWSA-N 0 3 294.786 2.156 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C=C2CCCCC2)[C@H]1CC ZINC001087514884 805656817 /nfs/dbraw/zinc/65/68/17/805656817.db2.gz SYALSAPQXGJJKB-JKSUJKDBSA-N 0 3 274.408 2.479 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(C)C ZINC001029312196 805672978 /nfs/dbraw/zinc/67/29/78/805672978.db2.gz VIKIBZOGGXZAHX-QXSJWSMHSA-N 0 3 292.423 2.051 20 30 CEEDHN C#CCN1CCC(C)(CNC(=O)CCCOC(C)C)CC1 ZINC001270925896 805690451 /nfs/dbraw/zinc/69/04/51/805690451.db2.gz MKRMSFALWNHJNW-UHFFFAOYSA-N 0 3 294.439 2.043 20 30 CEEDHN C#CCCCC(=O)N(C)[C@H](C)CNCc1cncc(C)c1 ZINC001270946608 805695512 /nfs/dbraw/zinc/69/55/12/805695512.db2.gz CCDMXFBHRRSJPX-OAHLLOKOSA-N 0 3 287.407 2.130 20 30 CEEDHN C=CCN1CCC[C@](C)(CNC(=O)c2oncc2C)C1 ZINC001270999580 805710103 /nfs/dbraw/zinc/71/01/03/805710103.db2.gz QYWBCXBWTPANRX-OAHLLOKOSA-N 0 3 277.368 2.001 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCCCO2)[C@H]1CC ZINC001087543709 805723990 /nfs/dbraw/zinc/72/39/90/805723990.db2.gz DRRKXVQWZFFRSH-RRFJBIMHSA-N 0 3 280.412 2.101 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2coc(C)c2)[C@H]1CC ZINC001087554004 805739460 /nfs/dbraw/zinc/73/94/60/805739460.db2.gz JZCONOARCQXQAL-UONOGXRCSA-N 0 3 262.353 2.357 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2[nH]ccc2C)[C@H]1CC ZINC001087559182 805745577 /nfs/dbraw/zinc/74/55/77/805745577.db2.gz VOLRDGMIHGXZPF-QWHCGFSZSA-N 0 3 261.369 2.092 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cccnc2C)[C@H]1CC ZINC001087707132 805775703 /nfs/dbraw/zinc/77/57/03/805775703.db2.gz DGQSQDWDQMPUBN-LSDHHAIUSA-N 0 3 273.380 2.159 20 30 CEEDHN C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC)c1 ZINC001029467060 805861831 /nfs/dbraw/zinc/86/18/31/805861831.db2.gz XDAZQOAIRYHAPZ-CALCHBBNSA-N 0 3 297.402 2.152 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C3C=CC=CC=C3)C[C@@H]2C1 ZINC001087982223 805869261 /nfs/dbraw/zinc/86/92/61/805869261.db2.gz TWFHYZNBSSLWRV-MSOLQXFVSA-N 0 3 296.414 2.088 20 30 CEEDHN CCC(=O)N1CC[C@H](CN(C)Cc2ccc(C#N)s2)C1 ZINC001029614522 806000850 /nfs/dbraw/zinc/00/08/50/806000850.db2.gz WQAVFTQNPAVPFP-GFCCVEGCSA-N 0 3 291.420 2.310 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC=CCC2)[C@H]1C ZINC001088465429 806268064 /nfs/dbraw/zinc/26/80/64/806268064.db2.gz OIIUXSSVJXKOAE-ILXRZTDVSA-N 0 3 262.397 2.498 20 30 CEEDHN C=CCCC(=O)N[C@@H]1CN(CC/C=C\CC)C[C@H]1OC ZINC001212022194 806516082 /nfs/dbraw/zinc/51/60/82/806516082.db2.gz FFVPXCUBMGVINN-JHSOUAKNSA-N 0 3 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C#CCN(C)[C@@H]1CCCN(C(=O)Cc2cccc(C)c2)C1 ZINC001027548470 804115994 /nfs/dbraw/zinc/11/59/94/804115994.db2.gz MYPVEEIEAKPOPT-QGZVFWFLSA-N 0 3 284.403 2.094 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001027965077 804368365 /nfs/dbraw/zinc/36/83/65/804368365.db2.gz RNQCSWVYFUBEIJ-KGLIPLIRSA-N 0 3 262.397 2.333 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc2cnccc2o1 ZINC001027999023 804387347 /nfs/dbraw/zinc/38/73/47/804387347.db2.gz ZCLVHJBZVFIEDH-AWEZNQCLSA-N 0 3 297.358 2.045 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1nccc2occc21 ZINC001028043067 804409622 /nfs/dbraw/zinc/40/96/22/804409622.db2.gz FPYONDDXTCYQHJ-CYBMUJFWSA-N 0 3 297.358 2.045 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc(F)ccc1C ZINC001028053313 804414636 /nfs/dbraw/zinc/41/46/36/804414636.db2.gz CYSRJMOPAFVJQD-HNNXBMFYSA-N 0 3 288.366 2.352 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCc2cccnc21 ZINC001028093633 804449198 /nfs/dbraw/zinc/44/91/98/804449198.db2.gz JSDLEBSHQGJZBB-CVEARBPZSA-N 0 3 299.418 2.268 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001028108659 804466487 /nfs/dbraw/zinc/46/64/87/804466487.db2.gz UCWWFQUOHGCZEA-WBVHZDCISA-N 0 3 284.403 2.483 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001028147138 804494572 /nfs/dbraw/zinc/49/45/72/804494572.db2.gz OUNOKLMBPYNLBX-QLFBSQMISA-N 0 3 264.413 2.435 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc2c(c1)CCN2C ZINC001038893972 804496692 /nfs/dbraw/zinc/49/66/92/804496692.db2.gz JFDPFLHVAKTZOE-INIZCTEOSA-N 0 3 299.418 2.059 20 30 CEEDHN C#CCOc1ccc(C(=O)NC[C@H]2CCCN2CC=C)cc1 ZINC001028183127 804518512 /nfs/dbraw/zinc/51/85/12/804518512.db2.gz MVOVSVBYPMRJHO-MRXNPFEDSA-N 0 3 298.386 2.079 20 30 CEEDHN C#CCCCC(=O)NCCNCc1ccc(Cl)s1 ZINC001126335203 804557218 /nfs/dbraw/zinc/55/72/18/804557218.db2.gz VIYVGQGNQUHVJH-UHFFFAOYSA-N 0 3 284.812 2.411 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N(C)CCN(C)C[C@@H](C)OC ZINC001268244939 804570125 /nfs/dbraw/zinc/57/01/25/804570125.db2.gz JEWQCJURGHFXFU-CYBMUJFWSA-N 0 3 270.417 2.014 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1c[nH]c(=O)c2ccccc12 ZINC001268254370 804576038 /nfs/dbraw/zinc/57/60/38/804576038.db2.gz ZKQDWJNWUMRCMW-UHFFFAOYSA-N 0 3 299.374 2.130 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCCN2CC=C(C)C)nc1 ZINC001028271169 804645809 /nfs/dbraw/zinc/64/58/09/804645809.db2.gz AOYUTKMPYCLTRA-INIZCTEOSA-N 0 3 297.402 2.223 20 30 CEEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1C ZINC001268432190 804667818 /nfs/dbraw/zinc/66/78/18/804667818.db2.gz SFHVRIWPCVVEQU-CZUORRHYSA-N 0 3 285.391 2.152 20 30 CEEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1C ZINC001268432189 804668226 /nfs/dbraw/zinc/66/82/26/804668226.db2.gz SFHVRIWPCVVEQU-CJNGLKHVSA-N 0 3 285.391 2.152 20 30 CEEDHN CC#CCNCCN(CC)C(=O)C[C@@H]1CC[C@H](C)C1 ZINC001268472602 804719016 /nfs/dbraw/zinc/71/90/16/804719016.db2.gz XJXXLBLECSXMTD-LSDHHAIUSA-N 0 3 264.413 2.274 20 30 CEEDHN C=CCCCCCN1C[C@@H](NC(=O)CCC)[C@H](OC)C1 ZINC001211770584 804770694 /nfs/dbraw/zinc/77/06/94/804770694.db2.gz BRYAUZWTIUQDRV-HUUCEWRRSA-N 0 3 282.428 2.348 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001028547024 804836864 /nfs/dbraw/zinc/83/68/64/804836864.db2.gz KEIFYARJGNSIJH-AWEZNQCLSA-N 0 3 299.418 2.064 20 30 CEEDHN C#CCNC/C=C\CNC(=O)[C@@H](C)Cc1ccccc1C ZINC001268634876 804898010 /nfs/dbraw/zinc/89/80/10/804898010.db2.gz WUUBIHYKVKUWEM-PTZVLDCSSA-N 0 3 284.403 2.069 20 30 CEEDHN Cc1cocc1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001268699208 804932759 /nfs/dbraw/zinc/93/27/59/804932759.db2.gz FLXMTVDGVBBDDD-HNNXBMFYSA-N 0 3 296.370 2.348 20 30 CEEDHN C=CCCC(=O)N[C@@H](C)CN(C)C[C@@H]1CC(C)(C)CO1 ZINC001268726012 804945884 /nfs/dbraw/zinc/94/58/84/804945884.db2.gz WQRFGFKPTMJNTN-KBPBESRZSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc(-c2ccco2)on1 ZINC001268738862 804950754 /nfs/dbraw/zinc/95/07/54/804950754.db2.gz KDBKVWBBQIMNQJ-LLVKDONJSA-N 0 3 289.335 2.171 20 30 CEEDHN C=CCN(C)C[C@H](C)NC(=O)Cc1ccccc1CC ZINC001268735425 804952650 /nfs/dbraw/zinc/95/26/50/804952650.db2.gz LJPXOVYJCJBXHJ-AWEZNQCLSA-N 0 3 274.408 2.414 20 30 CEEDHN C=CCN(C)C[C@H](C)NC(=O)c1cnc2ccccc2c1 ZINC001268745859 804956574 /nfs/dbraw/zinc/95/65/74/804956574.db2.gz LCOIRMYWECZWIK-ZDUSSCGKSA-N 0 3 283.375 2.471 20 30 CEEDHN C#Cc1cncc(C(=O)NCC2CN(CC/C=C\CC)C2)c1 ZINC001268879222 804992778 /nfs/dbraw/zinc/99/27/78/804992778.db2.gz NLHSTDDUOBXXAW-WAYWQWQTSA-N 0 3 297.402 2.081 20 30 CEEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCN(CCOC(C)C)C1 ZINC001269057296 805035884 /nfs/dbraw/zinc/03/58/84/805035884.db2.gz TYOYWWGJLNGMKT-CABCVRRESA-N 0 3 282.428 2.204 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCC2CCOCC2)C1 ZINC001269134607 805058953 /nfs/dbraw/zinc/05/89/53/805058953.db2.gz PFLXTBMDRBIASF-MRXNPFEDSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1ccc2n[nH]cc2c1 ZINC001269278060 805111650 /nfs/dbraw/zinc/11/16/50/805111650.db2.gz BPMVRFCSIGDVFQ-OAHLLOKOSA-N 0 3 298.390 2.333 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H](C)C(C)C)C1 ZINC001269348753 805136702 /nfs/dbraw/zinc/13/67/02/805136702.db2.gz NFZCDAPCTFGQSC-HUUCEWRRSA-N 0 3 264.413 2.225 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(C)nc2C(C)C)C1 ZINC001028715419 805154351 /nfs/dbraw/zinc/15/43/51/805154351.db2.gz DLDNNVOUZYLWHL-OAHLLOKOSA-N 0 3 299.418 2.198 20 30 CEEDHN CC#CCNC1(CNC(=O)c2sc(C)cc2C)CC1 ZINC001269420401 805160820 /nfs/dbraw/zinc/16/08/20/805160820.db2.gz WJUFIAODCLJJIN-UHFFFAOYSA-N 0 3 276.405 2.240 20 30 CEEDHN CC#CCNC1(CNC(=O)[C@](C)(F)CCCC)CC1 ZINC001269437164 805163499 /nfs/dbraw/zinc/16/34/99/805163499.db2.gz KYNNNIXZVIRPAY-CQSZACIVSA-N 0 3 268.376 2.167 20 30 CEEDHN C=CCOc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C)cc1 ZINC001269467847 805172607 /nfs/dbraw/zinc/17/26/07/805172607.db2.gz YIJKPHCYSGDUHJ-HOTGVXAUSA-N 0 3 286.375 2.170 20 30 CEEDHN C#CCNC1(CNC(=O)CCCc2ccc(C)cc2)CC1 ZINC001269484518 805177754 /nfs/dbraw/zinc/17/77/54/805177754.db2.gz NALJMBDRISYCSK-UHFFFAOYSA-N 0 3 284.403 2.189 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)(C)C ZINC001269589257 805206276 /nfs/dbraw/zinc/20/62/76/805206276.db2.gz BFDZSKHRSOODIE-CVEARBPZSA-N 0 3 286.419 2.125 20 30 CEEDHN CN(C)Cc1c2ccccc2oc1C(=O)NCCC#N ZINC000427612230 805327007 /nfs/dbraw/zinc/32/70/07/805327007.db2.gz LXJZNFHGIZRWML-UHFFFAOYSA-N 0 3 271.320 2.138 20 30 CEEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ccoc2)[C@H](OC)C1 ZINC001211842519 805339562 /nfs/dbraw/zinc/33/95/62/805339562.db2.gz WQDOSOMZSKLTRT-NWANDNLSSA-N 0 3 292.379 2.063 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(Cl)cc2)C1 ZINC001028946147 805375483 /nfs/dbraw/zinc/37/54/83/805375483.db2.gz HCFZSSWWZVNECV-GFCCVEGCSA-N 0 3 276.767 2.025 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001028953595 805382267 /nfs/dbraw/zinc/38/22/67/805382267.db2.gz IUQNXOPOQCVDOK-MRXNPFEDSA-N 0 3 284.403 2.378 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2c(C)cc(C)cc2C)C1 ZINC001028971013 805393876 /nfs/dbraw/zinc/39/38/76/805393876.db2.gz DOEGRTJYCDSQAE-INIZCTEOSA-N 0 3 284.403 2.297 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2cc3cccc(C)c3o2)C1 ZINC001029007830 805429257 /nfs/dbraw/zinc/42/92/57/805429257.db2.gz MRWHRIDKHGVMTO-CQSZACIVSA-N 0 3 296.370 2.426 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2c(C)cccc2F)C1 ZINC001029019039 805441607 /nfs/dbraw/zinc/44/16/07/805441607.db2.gz GSOYCYNDNMKNRR-AWEZNQCLSA-N 0 3 288.366 2.209 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H](C)CCCC)C1 ZINC001270581850 805476268 /nfs/dbraw/zinc/47/62/68/805476268.db2.gz AQNJIOQRQYHLFM-GOEBONIOSA-N 0 3 264.413 2.417 20 30 CEEDHN CCN1CC[C@H](Oc2ncc(Br)cc2C#N)C1 ZINC001226284116 805565176 /nfs/dbraw/zinc/56/51/76/805565176.db2.gz WSSOZQNKPSVRQE-NSHDSACASA-N 0 3 296.168 2.189 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001030027469 807006145 /nfs/dbraw/zinc/00/61/45/807006145.db2.gz LDOMYYWDBIWPFJ-UXLLHSPISA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)[C@H]1C ZINC001088912090 807272195 /nfs/dbraw/zinc/27/21/95/807272195.db2.gz DCDPMIUQLMPPBP-BVUBDWEXSA-N 0 3 274.408 2.025 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnccc2C)C1 ZINC001098770819 807311768 /nfs/dbraw/zinc/31/17/68/807311768.db2.gz ILVMMQCVZFXMBW-YOEHRIQHSA-N 0 3 285.391 2.160 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cccc(C)c2F)C1 ZINC001046339437 807556161 /nfs/dbraw/zinc/55/61/61/807556161.db2.gz MXVDUCQBAQHONO-QGZVFWFLSA-N 0 3 288.366 2.352 20 30 CEEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cccn1C ZINC001272572577 807608351 /nfs/dbraw/zinc/60/83/51/807608351.db2.gz IALNUWLTQDIXFO-KRWDZBQOSA-N 0 3 287.407 2.168 20 30 CEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(CF)CC1 ZINC001099229972 807755612 /nfs/dbraw/zinc/75/56/12/807755612.db2.gz OFGMWQHOEJYQAC-CQSZACIVSA-N 0 3 294.414 2.366 20 30 CEEDHN Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001123233492 807843594 /nfs/dbraw/zinc/84/35/94/807843594.db2.gz KIBYARYGGVPSQU-XFWSIPNHSA-N 0 3 263.728 2.296 20 30 CEEDHN C#CC[C@@H](COC)NCc1cnc2ccccc2c1 ZINC000716839172 815152995 /nfs/dbraw/zinc/15/29/95/815152995.db2.gz NBCHCIJNKRVFQN-HNNXBMFYSA-N 0 3 254.333 2.363 20 30 CEEDHN C=CCC[NH2+]CC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001272658400 807901626 /nfs/dbraw/zinc/90/16/26/807901626.db2.gz VEKQSALSLOJMIH-GFCCVEGCSA-N 0 3 262.353 2.066 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2c[nH]cc2C)CC(C)(C)C1 ZINC001089557940 808025837 /nfs/dbraw/zinc/02/58/37/808025837.db2.gz DJOUZEHWYVTKCQ-CQSZACIVSA-N 0 3 287.407 2.177 20 30 CEEDHN C#CCCCCCC(=O)N[C@@H]1CN(CCCC)C[C@H]1OC ZINC001213271443 808079783 /nfs/dbraw/zinc/07/97/83/808079783.db2.gz YRQYGNLAEBAAMV-HZPDHXFCSA-N 0 3 294.439 2.186 20 30 CEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ncoc1CC ZINC001272696080 808167362 /nfs/dbraw/zinc/16/73/62/808167362.db2.gz QGEWDMCOFDLARV-JTQLQIEISA-N 0 3 285.775 2.088 20 30 CEEDHN C#CCCN1CC(CNC(=O)c2ccc(CC)c(CC)c2)C1 ZINC001032235050 808349792 /nfs/dbraw/zinc/34/97/92/808349792.db2.gz UXGYZKLHSLYNSA-UHFFFAOYSA-N 0 3 298.430 2.496 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)/C=C/C1CC1 ZINC001032330472 808463233 /nfs/dbraw/zinc/46/32/33/808463233.db2.gz JCLPEJYVEXFDTE-WHJWBVKISA-N 0 3 260.381 2.204 20 30 CEEDHN C#CCN1CC2(CCC1=O)CCN(Cc1ccc(C)[nH]1)CC2 ZINC001272763107 808622578 /nfs/dbraw/zinc/62/25/78/808622578.db2.gz FFRSEKDDUJWSCN-UHFFFAOYSA-N 0 3 299.418 2.161 20 30 CEEDHN N#Cc1cc(CN[C@H]2CCN(CC(F)(F)F)C2)cs1 ZINC000921630523 808644827 /nfs/dbraw/zinc/64/48/27/808644827.db2.gz SOHSZTRPFJZIOD-JTQLQIEISA-N 0 3 289.326 2.346 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)c1C ZINC001032613819 808731728 /nfs/dbraw/zinc/73/17/28/808731728.db2.gz WOFCGRCIUAHLHR-GJZGRUSLSA-N 0 3 287.407 2.198 20 30 CEEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3CC(C)C)C1 ZINC001032613895 808732437 /nfs/dbraw/zinc/73/24/37/808732437.db2.gz ANRVEPURWHZTIV-KBPBESRZSA-N 0 3 262.397 2.284 20 30 CEEDHN C=C(C)CCC(=O)N[C@H](C)CCNCc1cnc(C)o1 ZINC001272812479 808749357 /nfs/dbraw/zinc/74/93/57/808749357.db2.gz DMYSLBVUOJUPPH-GFCCVEGCSA-N 0 3 279.384 2.324 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c2cccnc12 ZINC001032734669 808815564 /nfs/dbraw/zinc/81/55/64/808815564.db2.gz 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/nfs/dbraw/zinc/25/44/94/815254494.db2.gz NVSUIFRCJFUSEK-UHFFFAOYSA-N 0 3 288.725 2.427 20 30 CEEDHN CNC(=O)C(C#N)C(=O)CSc1ccc2ccccc2c1 ZINC000133383602 809051366 /nfs/dbraw/zinc/05/13/66/809051366.db2.gz YNDBPBQMFQGSSH-CQSZACIVSA-N 0 3 298.367 2.387 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@H]2C=CCC2)C1 ZINC001032897966 809110173 /nfs/dbraw/zinc/11/01/73/809110173.db2.gz CPODXEHEYDXBIQ-GJZGRUSLSA-N 0 3 262.397 2.452 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001033107450 809180327 /nfs/dbraw/zinc/18/03/27/809180327.db2.gz MPFACTVTZFFSNN-WBVHZDCISA-N 0 3 274.408 2.289 20 30 CEEDHN CNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cccc(C(C)C)c1 ZINC000133492393 809253294 /nfs/dbraw/zinc/25/32/94/809253294.db2.gz GKIFFZWFSJYOPU-BXUZGUMPSA-N 0 3 288.347 2.032 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc3n[nH]cc3c2)C1 ZINC001033368486 809285078 /nfs/dbraw/zinc/28/50/78/809285078.db2.gz KEHYQHKBLKNLEZ-OAHLLOKOSA-N 0 3 298.390 2.285 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccsc2)C1 ZINC001033409845 809293547 /nfs/dbraw/zinc/29/35/47/809293547.db2.gz MFXCPRUHHPFSEW-ZFWWWQNUSA-N 0 3 290.432 2.408 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](C)c2cccs2)C1 ZINC001033416127 809294810 /nfs/dbraw/zinc/29/48/10/809294810.db2.gz IVJIBTRBAFMFSL-ZIAGYGMSSA-N 0 3 290.432 2.408 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001033440561 809301422 /nfs/dbraw/zinc/30/14/22/809301422.db2.gz MCGTYOAJFBFPFA-RBSFLKMASA-N 0 3 288.391 2.492 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CC23CCC3)C1 ZINC001033462596 809310216 /nfs/dbraw/zinc/31/02/16/809310216.db2.gz XYEVLHUKOMVNBI-KBPBESRZSA-N 0 3 262.397 2.285 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnn3ccccc23)C1 ZINC001033509458 809321221 /nfs/dbraw/zinc/32/12/21/809321221.db2.gz JTWWONLYIHQQRR-AWEZNQCLSA-N 0 3 298.390 2.057 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2cccc(F)c2)C1 ZINC001033638157 809367943 /nfs/dbraw/zinc/36/79/43/809367943.db2.gz DTHAUNMUOQOXJG-MRXNPFEDSA-N 0 3 290.382 2.477 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccc(C)nc2)C1 ZINC001033660478 809376249 /nfs/dbraw/zinc/37/62/49/809376249.db2.gz HFZVVROEPMMUGO-MRXNPFEDSA-N 0 3 287.407 2.041 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CCCCO2)C1 ZINC001033792436 809419456 /nfs/dbraw/zinc/41/94/56/809419456.db2.gz PMHQYRZFOJARKL-HUUCEWRRSA-N 0 3 280.412 2.054 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C)nc(C)c2)C1 ZINC001033841947 809431462 /nfs/dbraw/zinc/43/14/62/809431462.db2.gz DPMJZTDQZWHKTB-KRWDZBQOSA-N 0 3 299.418 2.258 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(CC)ccn2)C1 ZINC001033852477 809434721 /nfs/dbraw/zinc/43/47/21/809434721.db2.gz WWOBWQHVLZOLDM-INIZCTEOSA-N 0 3 299.418 2.204 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001033982897 809471980 /nfs/dbraw/zinc/47/19/80/809471980.db2.gz JETATSGURIXKTM-YESZJQIVSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2cc(Cl)no2)C1 ZINC001034030918 809482400 /nfs/dbraw/zinc/48/24/00/809482400.db2.gz XQCSJQCRIRRBPI-NSHDSACASA-N 0 3 297.786 2.441 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cncc(F)c2)C1 ZINC001034154157 809535418 /nfs/dbraw/zinc/53/54/18/809535418.db2.gz JCFDYTZOXBWEFX-OAHLLOKOSA-N 0 3 291.370 2.381 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@@]1(C)CN(C[C@H](C)CC)CCO1 ZINC001108119626 809547486 /nfs/dbraw/zinc/54/74/86/809547486.db2.gz RIEVCDVPSAEEAI-PBHICJAKSA-N 0 3 296.455 2.452 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC001034402811 809602398 /nfs/dbraw/zinc/60/23/98/809602398.db2.gz USXPCTRXUWOHDC-AWEZNQCLSA-N 0 3 290.411 2.187 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccn(CC)n2)C1 ZINC001034437100 809608526 /nfs/dbraw/zinc/60/85/26/809608526.db2.gz FDKVIMBHVOOGDE-CQSZACIVSA-N 0 3 290.411 2.063 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@]2(C)CCCOC2)C1 ZINC001034468984 809615581 /nfs/dbraw/zinc/61/55/81/809615581.db2.gz UKWQYZGDACPAID-DOTOQJQBSA-N 0 3 294.439 2.350 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(CC)on2)C1 ZINC001034492757 809616748 /nfs/dbraw/zinc/61/67/48/809616748.db2.gz CFOAEEBREIPTQT-ZDUSSCGKSA-N 0 3 291.395 2.397 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cccs1)CC2 ZINC001035642765 809799467 /nfs/dbraw/zinc/79/94/67/809799467.db2.gz YFRKIMJBHVPGJZ-UHFFFAOYSA-N 0 3 288.416 2.309 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN2CC[C@H](C(F)F)C2)cc1 ZINC000707135173 809881171 /nfs/dbraw/zinc/88/11/71/809881171.db2.gz FLOYIVSPWBUMNZ-STQMWFEESA-N 0 3 266.291 2.179 20 30 CEEDHN C[C@@]1(C(F)(F)F)CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000709554499 809965157 /nfs/dbraw/zinc/96/51/57/809965157.db2.gz OMJTXEVZRDACGB-CMPLNLGQSA-N 0 3 291.317 2.199 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccoc2C)C1 ZINC001079396784 810207416 /nfs/dbraw/zinc/20/74/16/810207416.db2.gz FUMYTSODNIEBAC-BXUZGUMPSA-N 0 3 262.353 2.214 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001079908389 810237325 /nfs/dbraw/zinc/23/73/25/810237325.db2.gz ZLWNJVMVYDJQEU-IUODEOHRSA-N 0 3 298.390 2.141 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2c(C)noc2C(F)F)C1 ZINC001014889109 810242135 /nfs/dbraw/zinc/24/21/35/810242135.db2.gz MWUDXVPIYUAQCX-SNVBAGLBSA-N 0 3 299.321 2.301 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001080034525 810243792 /nfs/dbraw/zinc/24/37/92/810243792.db2.gz YSYQDWZIJWZBIN-IUODEOHRSA-N 0 3 298.390 2.107 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001014910345 810244222 /nfs/dbraw/zinc/24/42/22/810244222.db2.gz PVDYLDGAPSNKAF-GJZGRUSLSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCOc1ccccc1C(=O)N[C@H]1CCN(C(C)C)C1 ZINC001014973085 810249956 /nfs/dbraw/zinc/24/99/56/810249956.db2.gz BTCOYPKBOREWQH-AWEZNQCLSA-N 0 3 288.391 2.464 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001080543865 810290266 /nfs/dbraw/zinc/29/02/66/810290266.db2.gz NRBHGNKMXRZWKM-UKRRQHHQSA-N 0 3 290.411 2.090 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cccc3ncccc32)C1 ZINC001015449115 810292437 /nfs/dbraw/zinc/29/24/37/810292437.db2.gz MAUKXCFBYCZBGN-CQSZACIVSA-N 0 3 293.370 2.062 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001015472035 810293491 /nfs/dbraw/zinc/29/34/91/810293491.db2.gz XEWZEMZDHGOISK-CQSZACIVSA-N 0 3 299.349 2.134 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCCc1ccccc1C ZINC001121833166 815359415 /nfs/dbraw/zinc/35/94/15/815359415.db2.gz NOIIOBDJRYIHIY-HNNXBMFYSA-N 0 3 260.381 2.337 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001015594789 810310917 /nfs/dbraw/zinc/31/09/17/810310917.db2.gz BQURZDAGFCIKCX-HNNXBMFYSA-N 0 3 287.407 2.205 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2occc2CC)C1 ZINC001015663386 810326541 /nfs/dbraw/zinc/32/65/41/810326541.db2.gz HTQGORISZGWLKM-CYBMUJFWSA-N 0 3 262.353 2.222 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1c1ccccc1 ZINC001081106780 810333070 /nfs/dbraw/zinc/33/30/70/810333070.db2.gz ZKVPANOJMZRAHF-ZWKOTPCHSA-N 0 3 294.398 2.314 20 30 CEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001015703409 810335641 /nfs/dbraw/zinc/33/56/41/810335641.db2.gz IBECQMUNEYRCMV-ZDUSSCGKSA-N 0 3 289.379 2.322 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001016142103 810402853 /nfs/dbraw/zinc/40/28/53/810402853.db2.gz RORXDYVOCNURNF-JXQTWKCFSA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001016410129 810436285 /nfs/dbraw/zinc/43/62/85/810436285.db2.gz GOUNNNPHLSLNGW-INIZCTEOSA-N 0 3 296.414 2.240 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC(C)C)[C@@H]2C1 ZINC001084159660 810440271 /nfs/dbraw/zinc/44/02/71/810440271.db2.gz HEASVOSOECZULV-ZIAGYGMSSA-N 0 3 250.386 2.141 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cccc(F)c2)CC1 ZINC001016483142 810443782 /nfs/dbraw/zinc/44/37/82/810443782.db2.gz UQDJABWKMKFJMG-OAHLLOKOSA-N 0 3 286.350 2.043 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)/C=C(\C)C3CC3)[C@@H]2C1 ZINC001084209408 810448579 /nfs/dbraw/zinc/44/85/79/810448579.db2.gz GSAQGHJTOTYMOA-JVPVSYIYSA-N 0 3 274.408 2.452 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)COC3CCCC3)[C@@H]2C1 ZINC001084208567 810449196 /nfs/dbraw/zinc/44/91/96/810449196.db2.gz DCEYNIVPVVXRKN-GDBMZVCRSA-N 0 3 292.423 2.054 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001016776798 810467333 /nfs/dbraw/zinc/46/73/33/810467333.db2.gz HHYHZZXRMOEEQC-HUUCEWRRSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(C)cc(C)n3)[C@@H]2C1 ZINC001084473421 810471011 /nfs/dbraw/zinc/47/10/11/810471011.db2.gz YSUMKMWSELNHIF-NVXWUHKLSA-N 0 3 299.418 2.421 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2CC23CCC3)CC1 ZINC001016859792 810474528 /nfs/dbraw/zinc/47/45/28/810474528.db2.gz NLIUUQPDVZHYPY-CABCVRRESA-N 0 3 286.419 2.171 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cccn2C(C)C)CC1 ZINC001016974374 810480181 /nfs/dbraw/zinc/48/01/81/810480181.db2.gz JQZIEPQSPUDTBP-MRXNPFEDSA-N 0 3 299.418 2.287 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)[C@H](F)C(C)C)[C@@H]2C1 ZINC001084587276 810483450 /nfs/dbraw/zinc/48/34/50/810483450.db2.gz VBBGPFSYJUJTSO-MGPQQGTHSA-N 0 3 268.376 2.089 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1C ZINC001017458358 810522998 /nfs/dbraw/zinc/52/29/98/810522998.db2.gz GJUMCOPPUDTUKY-OKILXGFUSA-N 0 3 273.380 2.188 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC=CCC3)C[C@@H]21 ZINC001084888057 810539629 /nfs/dbraw/zinc/53/96/29/810539629.db2.gz TVYBWFPXPWKWTD-PMPSAXMXSA-N 0 3 274.408 2.452 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(F)F ZINC001017901980 810569151 /nfs/dbraw/zinc/56/91/51/810569151.db2.gz GZQXRDKIWQIOCY-TXEJJXNPSA-N 0 3 272.339 2.283 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccnc1 ZINC001085117413 810601256 /nfs/dbraw/zinc/60/12/56/810601256.db2.gz IPNJWBBEDCXOLW-ZIAGYGMSSA-N 0 3 293.798 2.465 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cccc3c2CCCC3)C1 ZINC001018902276 810662995 /nfs/dbraw/zinc/66/29/95/810662995.db2.gz ALNSMRRZCPXRQU-HNNXBMFYSA-N 0 3 282.387 2.003 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)Cc2cccc(C)c2Cl)C1 ZINC001019136983 810677288 /nfs/dbraw/zinc/67/72/88/810677288.db2.gz AOEYJVNAQFVSAB-AWEZNQCLSA-N 0 3 290.794 2.015 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(CCC)cc2)C1 ZINC001019304839 810695873 /nfs/dbraw/zinc/69/58/73/810695873.db2.gz ANZFZZZTDSOHRZ-INIZCTEOSA-N 0 3 270.376 2.076 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CCC(F)(F)C[C@H]1C ZINC001122171092 815389952 /nfs/dbraw/zinc/38/99/52/815389952.db2.gz AYCWZQKWBWDMHO-GHMZBOCLSA-N 0 3 260.328 2.316 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC001019691151 810729402 /nfs/dbraw/zinc/72/94/02/810729402.db2.gz PCUJRFRZSNDRBC-IRXDYDNUSA-N 0 3 296.414 2.320 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1nc(C)c[nH]1 ZINC001085358364 810730237 /nfs/dbraw/zinc/73/02/37/810730237.db2.gz XIUXRVFXJUQAOX-VXGBXAGGSA-N 0 3 296.802 2.101 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C1CC1)C1CC1)C2 ZINC001098184119 810733314 /nfs/dbraw/zinc/73/33/14/810733314.db2.gz OVMFKSCJFNRLTI-OAGGEKHMSA-N 0 3 286.419 2.167 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)CCC2CCCCC2)C1 ZINC001019733881 810734989 /nfs/dbraw/zinc/73/49/89/810734989.db2.gz QNGRZMLXSSTSJZ-HNNXBMFYSA-N 0 3 262.397 2.171 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccnc1 ZINC001085459875 810767280 /nfs/dbraw/zinc/76/72/80/810767280.db2.gz RTHKMJDFVKHUAL-HNNXBMFYSA-N 0 3 273.380 2.194 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccoc1 ZINC001085487443 810783752 /nfs/dbraw/zinc/78/37/52/810783752.db2.gz ZJGYURMQOBLLMX-AWEZNQCLSA-N 0 3 262.353 2.392 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccn1C ZINC001085492363 810790540 /nfs/dbraw/zinc/79/05/40/810790540.db2.gz VMHAUVAGMQABQR-AWEZNQCLSA-N 0 3 275.396 2.138 20 30 CEEDHN C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001085490751 810790696 /nfs/dbraw/zinc/79/06/96/810790696.db2.gz HRBRRFJOGHBSDS-CYBMUJFWSA-N 0 3 274.364 2.115 20 30 CEEDHN C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001085490751 810790699 /nfs/dbraw/zinc/79/06/99/810790699.db2.gz HRBRRFJOGHBSDS-CYBMUJFWSA-N 0 3 274.364 2.115 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C)sn1 ZINC001038203040 810806555 /nfs/dbraw/zinc/80/65/55/810806555.db2.gz DBZZGOFGSBSKEX-GFCCVEGCSA-N 0 3 279.409 2.222 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C ZINC001085539418 810817230 /nfs/dbraw/zinc/81/72/30/810817230.db2.gz WCLHRKWDDHTTMQ-AWEZNQCLSA-N 0 3 275.396 2.436 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CCN1CCCC ZINC001085601948 810846533 /nfs/dbraw/zinc/84/65/33/810846533.db2.gz LOBUQDXMPMTRDG-OAGGEKHMSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1 ZINC001085612429 810852064 /nfs/dbraw/zinc/85/20/64/810852064.db2.gz QYOPDRCBDTULPB-CQSZACIVSA-N 0 3 261.369 2.127 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001038662682 810883744 /nfs/dbraw/zinc/88/37/44/810883744.db2.gz XPQOHTIXUYKHEF-DOTOQJQBSA-N 0 3 284.403 2.483 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001038810478 810920803 /nfs/dbraw/zinc/92/08/03/810920803.db2.gz OZYSGOXBPNMQSD-SOUVJXGZSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccn(C(C)C)n1 ZINC001085852561 810943374 /nfs/dbraw/zinc/94/33/74/810943374.db2.gz AEBZSPGHBINDAW-CQSZACIVSA-N 0 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C=C[C@H](C)NCc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602565811 347080837 /nfs/dbraw/zinc/08/08/37/347080837.db2.gz AKMXPWJPRMNELS-JTQLQIEISA-N 0 3 265.357 2.040 20 30 CEEDHN C=CCCCCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000383677149 344827362 /nfs/dbraw/zinc/82/73/62/344827362.db2.gz VNKDEQREELCDRQ-UHFFFAOYSA-N 0 3 292.404 2.278 20 30 CEEDHN CC(C)N1CCN(CCCSCCC#N)CC1 ZINC000413010033 344891316 /nfs/dbraw/zinc/89/13/16/344891316.db2.gz FPLJWGAQLZJZAO-UHFFFAOYSA-N 0 3 255.431 2.049 20 30 CEEDHN C=CCOc1ccc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1 ZINC000453045758 344904882 /nfs/dbraw/zinc/90/48/82/344904882.db2.gz ZWCDUACLIBNZOD-ZBFHGGJFSA-N 0 3 286.375 2.028 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCN(c3ncccc3F)C2)C1 ZINC000584699176 344977394 /nfs/dbraw/zinc/97/73/94/344977394.db2.gz UFZNIVAPUILYNR-JHJVBQTASA-N 0 3 274.343 2.081 20 30 CEEDHN N#CCCC1CCN(Cc2c[nH]c3nccnc23)CC1 ZINC000584720660 344980021 /nfs/dbraw/zinc/98/00/21/344980021.db2.gz JKVNZGRVGBLUTG-UHFFFAOYSA-N 0 3 269.352 2.425 20 30 CEEDHN CC[C@@H](Cn1cncn1)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000585726648 345012025 /nfs/dbraw/zinc/01/20/25/345012025.db2.gz VTHFEXHGVLGXMT-GOEBONIOSA-N 0 3 281.363 2.205 20 30 CEEDHN CN1CC[C@H](NCc2ccnc(C#N)c2)[C@@H]1c1ccccc1 ZINC000589267238 345074343 /nfs/dbraw/zinc/07/43/43/345074343.db2.gz GTLGIJUURLONTD-ROUUACIJSA-N 0 3 292.386 2.488 20 30 CEEDHN N#CCCOCCN1CCC(c2ccccn2)CC1 ZINC000590169185 345119404 /nfs/dbraw/zinc/11/94/04/345119404.db2.gz SLYYUUHRUAULPK-UHFFFAOYSA-N 0 3 259.353 2.191 20 30 CEEDHN CN(C)CCOc1cccc(NC(=O)CC2(C#N)CC2)c1 ZINC000590196048 345120639 /nfs/dbraw/zinc/12/06/39/345120639.db2.gz LAKHXVMOVYLIJN-UHFFFAOYSA-N 0 3 287.363 2.259 20 30 CEEDHN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C[C@@H](C)CCC#N ZINC000589823162 345099858 /nfs/dbraw/zinc/09/98/58/345099858.db2.gz ZYELEWIPOWAUHD-DGAVXFQQSA-N 0 3 264.369 2.200 20 30 CEEDHN CC[C@@H](NC1COCCOC1)c1ccc(C#N)cc1 ZINC000589949616 345105803 /nfs/dbraw/zinc/10/58/03/345105803.db2.gz DEHPRNNCZRAFAH-OAHLLOKOSA-N 0 3 260.337 2.014 20 30 CEEDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000590753873 345174244 /nfs/dbraw/zinc/17/42/44/345174244.db2.gz HSXUUVUAKKSPAC-OCCSQVGLSA-N 0 3 276.311 2.129 20 30 CEEDHN N#CC1(CC(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000590321343 345127966 /nfs/dbraw/zinc/12/79/66/345127966.db2.gz WGURCGNWXSOOHN-UHFFFAOYSA-N 0 3 298.390 2.108 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@H](C2CCC2)C1 ZINC000591062125 345215060 /nfs/dbraw/zinc/21/50/60/345215060.db2.gz WUZSSOWVKLWMEY-GOEBONIOSA-N 0 3 277.412 2.163 20 30 CEEDHN Cc1cccc2c1CCCN2C(=O)[C@@H](N)CCCC#N ZINC000591615082 345269606 /nfs/dbraw/zinc/26/96/06/345269606.db2.gz NXFSNUVFSIBGQD-AWEZNQCLSA-N 0 3 271.364 2.295 20 30 CEEDHN COc1cccc(N2CC[C@@H](CNCCC#N)C2)c1 ZINC000591734994 345276781 /nfs/dbraw/zinc/27/67/81/345276781.db2.gz GUHDOPLBLCZYMN-ZDUSSCGKSA-N 0 3 259.353 2.025 20 30 CEEDHN COc1ccc2ncc(C#N)c(NCC3(N(C)C)CC3)c2c1 ZINC000591954443 345305917 /nfs/dbraw/zinc/30/59/17/345305917.db2.gz QTBVNWIITRIMFX-UHFFFAOYSA-N 0 3 296.374 2.043 20 30 CEEDHN 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C[C@@]1(CO)CCC[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593025428 345425195 /nfs/dbraw/zinc/42/51/95/345425195.db2.gz TXFWEKMVONYJHX-CABCVRRESA-N 0 3 289.335 2.107 20 30 CEEDHN CCCN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCN(C)C1 ZINC000592830924 345402068 /nfs/dbraw/zinc/40/20/68/345402068.db2.gz IFFPLSRLYQTOHS-OAHLLOKOSA-N 0 3 271.364 2.115 20 30 CEEDHN CCOC(=O)[C@@H](CCC(C)(C)C)NC(=O)C(C#N)CC ZINC000593595713 345510793 /nfs/dbraw/zinc/51/07/93/345510793.db2.gz HZDSIGUJXOZVHF-NWDGAFQWSA-N 0 3 282.384 2.410 20 30 CEEDHN CCC(C#N)C(=O)N=c1ccn([C@@H](C)c2ccccc2)[nH]1 ZINC000593522071 345503080 /nfs/dbraw/zinc/50/30/80/345503080.db2.gz FAASZGYVDWGGEJ-STQMWFEESA-N 0 3 282.347 2.403 20 30 CEEDHN CC[C@@H](C#N)C(=O)N(CCN(C)C)c1ccccc1 ZINC000593439528 345486870 /nfs/dbraw/zinc/48/68/70/345486870.db2.gz IHPNIIFMDIDHQX-ZDUSSCGKSA-N 0 3 259.353 2.131 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)c1cscc1C#N ZINC000593882830 345547491 /nfs/dbraw/zinc/54/74/91/345547491.db2.gz MSXNOUNWDQZNIC-UHFFFAOYSA-N 0 3 277.393 2.178 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593890946 345548596 /nfs/dbraw/zinc/54/85/96/345548596.db2.gz KEVVZKFORQHSBE-STQMWFEESA-N 0 3 283.375 2.273 20 30 CEEDHN CC[C@H](C)N[C@H](CNC(=O)[C@H](C#N)CC)c1ccco1 ZINC000593897555 345550245 /nfs/dbraw/zinc/55/02/45/345550245.db2.gz QNAWGXLAQXMTJP-RWMBFGLXSA-N 0 3 277.368 2.375 20 30 CEEDHN Cc1cnc(OC2CCN(CCCCC#N)CC2)nc1 ZINC000594020199 345567992 /nfs/dbraw/zinc/56/79/92/345567992.db2.gz DCBRDDQPRVGZJZ-UHFFFAOYSA-N 0 3 274.368 2.322 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000593613543 345513213 /nfs/dbraw/zinc/51/32/13/345513213.db2.gz SBLHNRPMCOCDEQ-TZMCWYRMSA-N 0 3 288.347 2.184 20 30 CEEDHN N#Cc1csc(CN[C@@H](C2CC2)C2CCOCC2)n1 ZINC000593667512 345518659 /nfs/dbraw/zinc/51/86/59/345518659.db2.gz XBSRXOFDTUZWPJ-AWEZNQCLSA-N 0 3 277.393 2.310 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000594271007 345607165 /nfs/dbraw/zinc/60/71/65/345607165.db2.gz JCDCRWRSPNEPOK-PBHICJAKSA-N 0 3 299.418 2.289 20 30 CEEDHN C[C@H]1CN(C(=O)CCCCC#N)CCN(C2CCC2)C1 ZINC000594363269 345616551 /nfs/dbraw/zinc/61/65/51/345616551.db2.gz PNHWISIIMLERHL-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN COC[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)OC ZINC000594501415 345639182 /nfs/dbraw/zinc/63/91/82/345639182.db2.gz VOWQBXRSMFOPEB-OAHLLOKOSA-N 0 3 276.380 2.239 20 30 CEEDHN CN(Cc1ccccc1)C(=O)[C@H](N)CCCCC#N ZINC000594424646 345625648 /nfs/dbraw/zinc/62/56/48/345625648.db2.gz HJGGFPXXBBGEIG-CQSZACIVSA-N 0 3 259.353 2.056 20 30 CEEDHN CCN(C(=O)[C@@H](N)CCCCC#N)C1CCCC1 ZINC000594429393 345627885 /nfs/dbraw/zinc/62/78/85/345627885.db2.gz SWLPKTHBOMTKAG-ZDUSSCGKSA-N 0 3 251.374 2.189 20 30 CEEDHN CC(C)(C)[C@H](NC(=O)[C@H](N)CCCCC#N)C(F)(F)F ZINC000594433629 345629347 /nfs/dbraw/zinc/62/93/47/345629347.db2.gz PWOLAMMQHASGNL-KOLCDFICSA-N 0 3 293.333 2.491 20 30 CEEDHN CC[C@H](NC(=O)[C@@H](N)CCCCC#N)c1nc(C)cs1 ZINC000594438198 345630415 /nfs/dbraw/zinc/63/04/15/345630415.db2.gz NCTRIWNINSHQCJ-RYUDHWBXSA-N 0 3 294.424 2.430 20 30 CEEDHN CC[C@H](c1ccncc1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594437223 345630848 /nfs/dbraw/zinc/63/08/48/345630848.db2.gz MDIPXKYIRXHDGK-HUUCEWRRSA-N 0 3 288.395 2.402 20 30 CEEDHN CC[C@@](C)(NC(=O)[C@H](N)CCCCC#N)c1nccs1 ZINC000594439927 345631515 /nfs/dbraw/zinc/63/15/15/345631515.db2.gz WLMXRCINPUTTFV-BXUZGUMPSA-N 0 3 294.424 2.296 20 30 CEEDHN Cc1cc(N(C)C)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594440281 345631518 /nfs/dbraw/zinc/63/15/18/345631518.db2.gz BKXAKPNVOLIOJF-AWEZNQCLSA-N 0 3 288.395 2.411 20 30 CEEDHN C[C@@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C[C@@H](C)C1 ZINC000594443726 345631982 /nfs/dbraw/zinc/63/19/82/345631982.db2.gz SMPDHIPGKFKZSF-RDBSUJKOSA-N 0 3 265.401 2.292 20 30 CEEDHN CC(C)C[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCCCC#N)CCO1 ZINC000594444870 345632751 /nfs/dbraw/zinc/63/27/51/345632751.db2.gz DOFLTEOUMORDEN-ZNMIVQPWSA-N 0 3 295.427 2.108 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC[C@H]1CC2CCC1CC2 ZINC000594449284 345633786 /nfs/dbraw/zinc/63/37/86/345633786.db2.gz FBWOPGSUAFLJQW-CVSAEHQPSA-N 0 3 277.412 2.340 20 30 CEEDHN N#CCCCCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000594449982 345634103 /nfs/dbraw/zinc/63/41/03/345634103.db2.gz QNCJHRRITFXKBN-LSDHHAIUSA-N 0 3 289.354 2.163 20 30 CEEDHN N#Cc1cccc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)n1 ZINC000594130891 345589413 /nfs/dbraw/zinc/58/94/13/345589413.db2.gz LWDYUOVWRFPMSD-UONOGXRCSA-N 0 3 299.378 2.092 20 30 CEEDHN N#Cc1ccncc1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594603924 345658237 /nfs/dbraw/zinc/65/82/37/345658237.db2.gz WLPBXXYVNKOQCG-ZFWWWQNUSA-N 0 3 256.353 2.382 20 30 CEEDHN CC(C)(C)[C@@H](N)c1cn(Cc2ccc(C#N)cc2F)nn1 ZINC000594650430 345666526 /nfs/dbraw/zinc/66/65/26/345666526.db2.gz VGRJUQQQNHVKPL-AWEZNQCLSA-N 0 3 287.342 2.383 20 30 CEEDHN C[C@@H](CNCc1ccc(C#N)s1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594508870 345639941 /nfs/dbraw/zinc/63/99/41/345639941.db2.gz CXLQBOHIJRCRIF-RWMBFGLXSA-N 0 3 293.436 2.207 20 30 CEEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1)[C@H]1CCOC1 ZINC000594712917 345676844 /nfs/dbraw/zinc/67/68/44/345676844.db2.gz WUZWAERUKQQOPD-UHOFOFEASA-N 0 3 274.364 2.260 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1C[C@H](O)C1 ZINC000595102824 345742849 /nfs/dbraw/zinc/74/28/49/345742849.db2.gz JYWOBLQNQOXPEB-DZKIICNBSA-N 0 3 256.349 2.439 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CC[C@@H](C2CCCCC2)C1 ZINC000595255918 345749444 /nfs/dbraw/zinc/74/94/44/345749444.db2.gz FTPGZIBAJPJOIC-CABCVRRESA-N 0 3 277.412 2.436 20 30 CEEDHN COc1cc(C)c(C)cc1NC(=O)[C@H](N)CCCC#N ZINC000595255661 345749735 /nfs/dbraw/zinc/74/97/35/345749735.db2.gz IBRNQJBGLNMBMR-GFCCVEGCSA-N 0 3 275.352 2.272 20 30 CEEDHN N#Cc1cccnc1N1CCN(CCC2CCC2)CC1 ZINC000595287774 345754537 /nfs/dbraw/zinc/75/45/37/345754537.db2.gz IBXDMELZGFGJGL-UHFFFAOYSA-N 0 3 270.380 2.265 20 30 CEEDHN CCOC(=O)[C@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595288552 345754581 /nfs/dbraw/zinc/75/45/81/345754581.db2.gz NQQMOBICPJSCNM-INIZCTEOSA-N 0 3 286.375 2.376 20 30 CEEDHN COC[C@@H](CN(Cc1ccc(C#N)cc1)C1CC1)OC ZINC000595296889 345756506 /nfs/dbraw/zinc/75/65/06/345756506.db2.gz NNAUYYADIYWJIY-MRXNPFEDSA-N 0 3 274.364 2.184 20 30 CEEDHN CC(C)NC(=O)[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594946856 345713524 /nfs/dbraw/zinc/71/35/24/345713524.db2.gz STPFIYVJDRXQJY-ZDUSSCGKSA-N 0 3 285.391 2.244 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2COC3(CCC3)C2)cc1F ZINC000594973457 345720187 /nfs/dbraw/zinc/72/01/87/345720187.db2.gz BZGNMYSSOBRCHX-ZDUSSCGKSA-N 0 3 260.312 2.499 20 30 CEEDHN N#Cc1ccc(CNC/C=C/CO)c(C(F)(F)F)c1 ZINC000594973084 345720350 /nfs/dbraw/zinc/72/03/50/345720350.db2.gz CQZJHDQRMIYYAJ-OWOJBTEDSA-N 0 3 270.254 2.215 20 30 CEEDHN CO[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)[C@H]1CCOC1 ZINC000595059763 345736826 /nfs/dbraw/zinc/73/68/26/345736826.db2.gz IHPZYULBSGAKRB-USXIJHARSA-N 0 3 286.375 2.187 20 30 CEEDHN C=CCCSCCNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000595553146 345810527 /nfs/dbraw/zinc/81/05/27/345810527.db2.gz FFGDGRXTGLFQEF-STQMWFEESA-N 0 3 297.468 2.220 20 30 CEEDHN CO[C@@H](CN1CCN(CCC#N)CC1)C1CCCCC1 ZINC000595391716 345773308 /nfs/dbraw/zinc/77/33/08/345773308.db2.gz OIKWPVADEWTKET-INIZCTEOSA-N 0 3 279.428 2.113 20 30 CEEDHN COC[C@H](CN1CC=C(c2ccc(C#N)cc2)CC1)OC ZINC000595406702 345775612 /nfs/dbraw/zinc/77/56/12/345775612.db2.gz FTBBEABLFDZYSS-KRWDZBQOSA-N 0 3 286.375 2.309 20 30 CEEDHN CN(C)c1ncc(CN(C)CCc2ccc(C#N)cc2)cn1 ZINC000595423876 345778269 /nfs/dbraw/zinc/77/82/69/345778269.db2.gz DMDDMSNXQQITNK-UHFFFAOYSA-N 0 3 295.390 2.089 20 30 CEEDHN CCN1CCN(CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000595492857 345795057 /nfs/dbraw/zinc/79/50/57/345795057.db2.gz OHOMZBASBBUOKE-AWEZNQCLSA-N 0 3 257.381 2.127 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)n1 ZINC000602580454 347087404 /nfs/dbraw/zinc/08/74/04/347087404.db2.gz ATSYZGJDQUJXCF-BZUAXINKSA-N 0 3 283.375 2.391 20 30 CEEDHN C[C@@H](C#N)N(CCN(C)Cc1ccccc1)C1CC1 ZINC000595710006 345857009 /nfs/dbraw/zinc/85/70/09/345857009.db2.gz LPFWPHNUHIWSSY-AWEZNQCLSA-N 0 3 257.381 2.495 20 30 CEEDHN COc1ccc(NC(=O)[C@@H](N)CCCCC#N)c(F)c1 ZINC000602580779 347087780 /nfs/dbraw/zinc/08/77/80/347087780.db2.gz GPFRBZWTFRCRPP-LBPRGKRZSA-N 0 3 279.315 2.184 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](Cn2ccnn2)C1 ZINC000595609368 345825846 /nfs/dbraw/zinc/82/58/46/345825846.db2.gz YOJXCVRIXSSHJA-UKRRQHHQSA-N 0 3 281.363 2.233 20 30 CEEDHN C#CCN(C)CCCOc1cc(OC)cc(OC)c1 ZINC000084865643 178930183 /nfs/dbraw/zinc/93/01/83/178930183.db2.gz CSOPJQOEMGHBQS-UHFFFAOYSA-N 0 3 263.337 2.038 20 30 CEEDHN N#Cc1ccc(CN[C@H](CO)C2CCC2)c(Cl)c1 ZINC000595617930 345828722 /nfs/dbraw/zinc/82/87/22/345828722.db2.gz VQNOUJDKGBIAPP-CQSZACIVSA-N 0 3 264.756 2.462 20 30 CEEDHN CO[C@]1(CO)CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000595660173 345841140 /nfs/dbraw/zinc/84/11/40/345841140.db2.gz RRQYHGINRPOWLJ-XJKSGUPXSA-N 0 3 274.364 2.093 20 30 CEEDHN C[C@@]1(C#N)CCN(CCCCN2CC[C@](C)(C#N)C2)C1 ZINC000595839700 345895123 /nfs/dbraw/zinc/89/51/23/345895123.db2.gz IGSWASVALQXPFM-IYBDPMFKSA-N 0 3 274.412 2.238 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000595840755 345895326 /nfs/dbraw/zinc/89/53/26/345895326.db2.gz DRNIQFPOAPFZMY-MCIONIFRSA-N 0 3 293.411 2.040 20 30 CEEDHN CN(CCc1ccc(C#N)cc1)CC1=CCCOC1 ZINC000595746924 345865136 /nfs/dbraw/zinc/86/51/36/345865136.db2.gz GGUYRAIWADCODM-UHFFFAOYSA-N 0 3 256.349 2.379 20 30 CEEDHN N#Cc1cccc(CN[C@H]2C[C@H](O)C23CCC3)c1F ZINC000595781509 345875476 /nfs/dbraw/zinc/87/54/76/345875476.db2.gz LKINOTHERWKAIK-STQMWFEESA-N 0 3 260.312 2.090 20 30 CEEDHN CN(C)[C@H](CNc1c(C#N)cnn1C)c1cccs1 ZINC000596054551 345928826 /nfs/dbraw/zinc/92/88/26/345928826.db2.gz LVCOWUDYSZUDRP-LLVKDONJSA-N 0 3 275.381 2.068 20 30 CEEDHN C[NH+](C)CC(C)(C)CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596054760 345929078 /nfs/dbraw/zinc/92/90/78/345929078.db2.gz FUBLOMMVVNRNPF-UHFFFAOYSA-N 0 3 272.805 2.090 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595858602 345899435 /nfs/dbraw/zinc/89/94/35/345899435.db2.gz XSUPLYZPLFQGNN-CPIKKWJDSA-N 0 3 275.396 2.200 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000595948643 345917553 /nfs/dbraw/zinc/91/75/53/345917553.db2.gz SQMPZZGFHMFISB-UONOGXRCSA-N 0 3 263.385 2.046 20 30 CEEDHN CC1(C)C[C@]1(CNC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000595987837 345921152 /nfs/dbraw/zinc/92/11/52/345921152.db2.gz YSCFMMUUZJACIU-QAPCUYQASA-N 0 3 299.418 2.492 20 30 CEEDHN CCCCN1CCCC[C@@H]1CNc1c(C#N)cnn1C ZINC000596097084 345939223 /nfs/dbraw/zinc/93/92/23/345939223.db2.gz AXSDICQNLHECKA-CQSZACIVSA-N 0 3 275.400 2.358 20 30 CEEDHN Cn1ncc(C#N)c1NC[C@H]1CCCN1Cc1ccccc1 ZINC000596129923 345946382 /nfs/dbraw/zinc/94/63/82/345946382.db2.gz SLIZBXDZXSNKMI-MRXNPFEDSA-N 0 3 295.390 2.368 20 30 CEEDHN CN(c1nc2ncccc2cc1C#N)[C@H]1CCCN(C)C1 ZINC000596140330 345949932 /nfs/dbraw/zinc/94/99/32/345949932.db2.gz GOTULJSTOFDMNC-AWEZNQCLSA-N 0 3 281.363 2.032 20 30 CEEDHN Cc1ccc(C#N)nc1NCCCN1CCCO[C@H](C)C1 ZINC000596209283 345969987 /nfs/dbraw/zinc/96/99/87/345969987.db2.gz RBNXIFQGPINFQY-CQSZACIVSA-N 0 3 288.395 2.175 20 30 CEEDHN CCN(C(=O)Nc1cc(C#N)ccc1C)[C@@H]1CCN(C)C1 ZINC000596706645 346077644 /nfs/dbraw/zinc/07/76/44/346077644.db2.gz DOXMTHGYSRXVML-CQSZACIVSA-N 0 3 286.379 2.425 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)Nc2cc(C)cc(C#N)c2)C1 ZINC000596927603 346106692 /nfs/dbraw/zinc/10/66/92/346106692.db2.gz DHUFMCMBZPHLHV-CQSZACIVSA-N 0 3 286.379 2.473 20 30 CEEDHN C[C@H](CC#N)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000597245081 346160602 /nfs/dbraw/zinc/16/06/02/346160602.db2.gz FRDJOCUWZSFCBT-ZBFHGGJFSA-N 0 3 285.391 2.317 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000597521657 346198558 /nfs/dbraw/zinc/19/85/58/346198558.db2.gz VAMGYRRUJSFRRN-IJEWVQPXSA-N 0 3 285.391 2.173 20 30 CEEDHN C[C@@H](CC#N)C(=O)Nc1ccccc1CCN(C)C ZINC000597539150 346199618 /nfs/dbraw/zinc/19/96/18/346199618.db2.gz AURCTTXZQKEPPT-LBPRGKRZSA-N 0 3 259.353 2.279 20 30 CEEDHN C[C@H](CC#N)C(=O)Nc1ccccc1CCN(C)C ZINC000597539149 346199792 /nfs/dbraw/zinc/19/97/92/346199792.db2.gz AURCTTXZQKEPPT-GFCCVEGCSA-N 0 3 259.353 2.279 20 30 CEEDHN CC(C#N)C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000597606136 346206681 /nfs/dbraw/zinc/20/66/81/346206681.db2.gz VCQRURIONWOAEX-FQKPHLNHSA-N 0 3 278.396 2.324 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000597655113 346211670 /nfs/dbraw/zinc/21/16/70/346211670.db2.gz ZYGKYHOLKLBIKA-IIAWOOMASA-N 0 3 285.391 2.315 20 30 CEEDHN CN1C[C@H]2CCN(C(=O)CC3(C#N)CCCCC3)[C@H]2C1 ZINC000597689724 346215655 /nfs/dbraw/zinc/21/56/55/346215655.db2.gz QQCGRSXPJHZTOS-KGLIPLIRSA-N 0 3 275.396 2.013 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)CCCCC#N ZINC000597861725 346241172 /nfs/dbraw/zinc/24/11/72/346241172.db2.gz WDJSKPOWNWRBJD-LBPRGKRZSA-N 0 3 251.374 2.059 20 30 CEEDHN CC(C)(C)N1CC[C@@H](NC(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000597924920 346254336 /nfs/dbraw/zinc/25/43/36/346254336.db2.gz VEBVMLZLRLUJGD-CXAGYDPISA-N 0 3 289.423 2.449 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)c2cccc(F)c2C#N)C1 ZINC000597926021 346254824 /nfs/dbraw/zinc/25/48/24/346254824.db2.gz ZMTNARJAOVHXEF-NSHDSACASA-N 0 3 289.354 2.300 20 30 CEEDHN CCN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CCN(C)C1 ZINC000597947441 346256076 /nfs/dbraw/zinc/25/60/76/346256076.db2.gz YHLPZSLQRKZHCR-INIZCTEOSA-N 0 3 285.391 2.043 20 30 CEEDHN C=CCCSCCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000597968663 346259762 /nfs/dbraw/zinc/25/97/62/346259762.db2.gz YKSYAXMFHVFEQI-BETUJISGSA-N 0 3 270.442 2.285 20 30 CEEDHN C[C@H](C#N)N(C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)C1CC1 ZINC000598128903 346294530 /nfs/dbraw/zinc/29/45/30/346294530.db2.gz DEGISHAQLKFYBI-YVECIDJPSA-N 0 3 263.385 2.151 20 30 CEEDHN CC(C)(F)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598200073 346304334 /nfs/dbraw/zinc/30/43/34/346304334.db2.gz XCHNAMRQMMFOQY-CQSZACIVSA-N 0 3 287.338 2.495 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000598342498 346332015 /nfs/dbraw/zinc/33/20/15/346332015.db2.gz OALLAYLQBFXTMN-IXDOHACOSA-N 0 3 297.402 2.262 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)CC2(C#N)CCCCC2)C1 ZINC000598342995 346332084 /nfs/dbraw/zinc/33/20/84/346332084.db2.gz QUZIRUROCLFEQG-CQSZACIVSA-N 0 3 277.412 2.451 20 30 CEEDHN CN(C)[C@H](CC(=O)N1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000598415144 346351279 /nfs/dbraw/zinc/35/12/79/346351279.db2.gz MBZQVCJCUHJJNS-WBVHZDCISA-N 0 3 285.391 2.442 20 30 CEEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1nccn1C ZINC000598464384 346361201 /nfs/dbraw/zinc/36/12/01/346361201.db2.gz JLVSABIGOAORQB-ZFWWWQNUSA-N 0 3 296.374 2.370 20 30 CEEDHN C=CCOCCNC(=O)C(C#N)CCc1ccccc1 ZINC000598388717 346344198 /nfs/dbraw/zinc/34/41/98/346344198.db2.gz DWXBQIUUHQQRSX-OAHLLOKOSA-N 0 3 272.348 2.078 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1ccc2c(c1)CCCO2 ZINC000598575295 346377000 /nfs/dbraw/zinc/37/70/00/346377000.db2.gz IGLBPPRGJJXBBY-GHMZBOCLSA-N 0 3 258.321 2.348 20 30 CEEDHN COc1ccccc1CN(C)C[C@@H](O)CC(C)(C)C#N ZINC000598586905 346377410 /nfs/dbraw/zinc/37/74/10/346377410.db2.gz KRHDAPSKRPCXCA-AWEZNQCLSA-N 0 3 276.380 2.428 20 30 CEEDHN Cc1cnn([C@@H]2CCCN(C[C@H](O)CC(C)(C)C#N)C2)c1 ZINC000598590030 346378679 /nfs/dbraw/zinc/37/86/79/346378679.db2.gz WQXDFBYSQUDDAM-HUUCEWRRSA-N 0 3 290.411 2.129 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H]1c1ccc[nH]1 ZINC000598593523 346380649 /nfs/dbraw/zinc/38/06/49/346380649.db2.gz BUMIQODQIYBSRO-TZMCWYRMSA-N 0 3 261.369 2.452 20 30 CEEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc(O)c1 ZINC000598600823 346381848 /nfs/dbraw/zinc/38/18/48/346381848.db2.gz KJLOVDCEGISPFQ-FZMZJTMJSA-N 0 3 262.353 2.344 20 30 CEEDHN Cn1cc([C@H](NC[C@@H](O)CC(C)(C)C#N)C(C)(C)C)cn1 ZINC000598601657 346382168 /nfs/dbraw/zinc/38/21/68/346382168.db2.gz LSCYFDHIRONQRF-KBPBESRZSA-N 0 3 292.427 2.398 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000598618567 346385360 /nfs/dbraw/zinc/38/53/60/346385360.db2.gz YNJAJVVMFXAKAF-STQMWFEESA-N 0 3 296.802 2.084 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCSC[C@@H]1C1CC1 ZINC000598620609 346385849 /nfs/dbraw/zinc/38/58/49/346385849.db2.gz LTAPNHBZLYIPQY-CHWSQXEVSA-N 0 3 268.426 2.115 20 30 CEEDHN Cc1ccc(CN(C)C[C@@H](O)CC(C)(C)C#N)nc1 ZINC000598620226 346386094 /nfs/dbraw/zinc/38/60/94/346386094.db2.gz KDQYOBKCCIRUQL-AWEZNQCLSA-N 0 3 261.369 2.123 20 30 CEEDHN CC(C)O[C@H]1CCCN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598624113 346387183 /nfs/dbraw/zinc/38/71/83/346387183.db2.gz WWQAAYAYJAJPEP-KGLIPLIRSA-N 0 3 268.401 2.177 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCOC(C2CC2)(C2CC2)C1 ZINC000598627921 346387807 /nfs/dbraw/zinc/38/78/07/346387807.db2.gz JIBQHCXNMMMQGG-OAHLLOKOSA-N 0 3 292.423 2.178 20 30 CEEDHN CC(=O)N1CC[C@@H](NCCCC#N)c2ccccc21 ZINC000598678218 346399413 /nfs/dbraw/zinc/39/94/13/346399413.db2.gz OUWXHNKRIHSNHW-CQSZACIVSA-N 0 3 257.337 2.378 20 30 CEEDHN COc1cccc(CNC[C@H](O)CC(C)(C)C#N)c1OC ZINC000598699178 346403344 /nfs/dbraw/zinc/40/33/44/346403344.db2.gz CFWZKPOLPIZTJM-CYBMUJFWSA-N 0 3 292.379 2.094 20 30 CEEDHN CC(=O)Nc1cccc(CNC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598715223 346406377 /nfs/dbraw/zinc/40/63/77/346406377.db2.gz NGBWGBFMRZDTTO-HNNXBMFYSA-N 0 3 289.379 2.035 20 30 CEEDHN CC(C)Oc1ncccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598716181 346406659 /nfs/dbraw/zinc/40/66/59/346406659.db2.gz ZKWQXDYJZDKLJF-CQSZACIVSA-N 0 3 291.395 2.259 20 30 CEEDHN CC1(C)CC[C@H](CO)N(CCOc2ccccc2C#N)C1 ZINC000598648260 346393255 /nfs/dbraw/zinc/39/32/55/346393255.db2.gz PHAHILSMUHNQNQ-OAHLLOKOSA-N 0 3 288.391 2.420 20 30 CEEDHN Cc1ccc(CNC[C@@H](O)CC(C)(C)C#N)nc1C ZINC000598727482 346410253 /nfs/dbraw/zinc/41/02/53/346410253.db2.gz ISMUDZDFKJXDIN-AWEZNQCLSA-N 0 3 261.369 2.089 20 30 CEEDHN C[C@@H](CC#N)C(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000598843447 346426800 /nfs/dbraw/zinc/42/68/00/346426800.db2.gz LXWRASUZTYDKQB-ZFWWWQNUSA-N 0 3 285.391 2.446 20 30 CEEDHN CCC(C#N)(CC)C(=O)NCCN1CCCC[C@@H]1C ZINC000599072894 346455870 /nfs/dbraw/zinc/45/58/70/346455870.db2.gz LDBIZEVYALFXGX-ZDUSSCGKSA-N 0 3 265.401 2.307 20 30 CEEDHN CC(=O)N1CC[C@H](CN(C)Cc2ccc(C)c(C#N)c2)C1 ZINC000599340753 346502698 /nfs/dbraw/zinc/50/26/98/346502698.db2.gz ZZNRMKFACRABHX-MRXNPFEDSA-N 0 3 285.391 2.167 20 30 CEEDHN CC(C)n1cc([C@H](C)NC[C@H](O)CC2(C#N)CC2)cn1 ZINC000599361388 346507231 /nfs/dbraw/zinc/50/72/31/346507231.db2.gz DPWXRTUZJPGVEY-GXTWGEPZSA-N 0 3 276.384 2.169 20 30 CEEDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C)c(C#N)c1 ZINC000599431233 346517542 /nfs/dbraw/zinc/51/75/42/346517542.db2.gz AYHNRJYEDWKGCW-CABCVRRESA-N 0 3 272.348 2.298 20 30 CEEDHN CN(C(=O)C[C@H](N)c1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602601998 347095358 /nfs/dbraw/zinc/09/53/58/347095358.db2.gz LYQCZNCRTFGQQN-ILXRZTDVSA-N 0 3 271.364 2.227 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccnn1CC1CCC1 ZINC000602601921 347095870 /nfs/dbraw/zinc/09/58/70/347095870.db2.gz MPRDVCGSUOMFKG-ZDUSSCGKSA-N 0 3 289.383 2.033 20 30 CEEDHN Cc1ccc(CN2CCC[C@@H](CCC(N)=O)C2)cc1C#N ZINC000599282457 346490505 /nfs/dbraw/zinc/49/05/05/346490505.db2.gz QVXICCSIBBENLV-AWEZNQCLSA-N 0 3 285.391 2.344 20 30 CEEDHN CN(C(=O)C[C@@H]1NCc2ccccc21)[C@@H]1CCC[C@@H]1C#N ZINC000602603440 347096380 /nfs/dbraw/zinc/09/63/80/347096380.db2.gz RXPMFNOCUUURBT-UHOFOFEASA-N 0 3 283.375 2.372 20 30 CEEDHN COC(=O)CCCCN1CCc2c(CC#N)cccc2C1 ZINC000599677906 346562763 /nfs/dbraw/zinc/56/27/63/346562763.db2.gz MKVORDVFPIPJGK-UHFFFAOYSA-N 0 3 286.375 2.454 20 30 CEEDHN CCC(C#N)(CC)C(=O)N(C)CCN1CCCCC1 ZINC000600080312 346595389 /nfs/dbraw/zinc/59/53/89/346595389.db2.gz DKWBUOUKKXTNLJ-UHFFFAOYSA-N 0 3 265.401 2.261 20 30 CEEDHN Cc1ccc([C@H](C)CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000600167597 346611608 /nfs/dbraw/zinc/61/16/08/346611608.db2.gz POIAPKMMXGLOMS-ZBFHGGJFSA-N 0 3 258.365 2.449 20 30 CEEDHN N#CC[C@@]1(O)CCN(Cc2ccc3[nH]ccc3c2)C1 ZINC000600168506 346612427 /nfs/dbraw/zinc/61/24/27/346612427.db2.gz ZTCMZFGWQCXWEO-OAHLLOKOSA-N 0 3 255.321 2.018 20 30 CEEDHN CC(C)(C)[C@@H](N)c1cn(Cc2cccc(C#N)c2)nn1 ZINC000600972606 346723311 /nfs/dbraw/zinc/72/33/11/346723311.db2.gz LETHAZVJBQMRTQ-AWEZNQCLSA-N 0 3 269.352 2.244 20 30 CEEDHN C[C@@H](CNC(=O)C1(C#N)CC2(CC2)C1)N1CCC[C@@H](C)C1 ZINC000600997876 346729069 /nfs/dbraw/zinc/72/90/69/346729069.db2.gz NQGLPYWNOGCXIW-KGLIPLIRSA-N 0 3 289.423 2.307 20 30 CEEDHN N#Cc1cccc(Cn2cc(CCN3CCCCC3)nn2)c1 ZINC000600972309 346723654 /nfs/dbraw/zinc/72/36/54/346723654.db2.gz FOZCQMHAIXNMDC-UHFFFAOYSA-N 0 3 295.390 2.226 20 30 CEEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1nc2ccccc2[nH]1 ZINC000600719906 346677796 /nfs/dbraw/zinc/67/77/96/346677796.db2.gz XGAQHKDSRWRGAL-RYUDHWBXSA-N 0 3 284.363 2.268 20 30 CEEDHN COc1ccc(-c2ccc(N3CCNCC3)nc2)c(C#N)c1 ZINC000600788874 346690961 /nfs/dbraw/zinc/69/09/61/346690961.db2.gz AMSGMXQIMXLMJI-UHFFFAOYSA-N 0 3 294.358 2.038 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)c1ccccc1CC#N ZINC000601149414 346770065 /nfs/dbraw/zinc/77/00/65/346770065.db2.gz KJAQYECKCGTTGU-OAHLLOKOSA-N 0 3 285.391 2.357 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCO[C@@H](C3CC3)C2)n1 ZINC000602617051 347105841 /nfs/dbraw/zinc/10/58/41/347105841.db2.gz NOTOTJSEAAKIHR-IUODEOHRSA-N 0 3 257.337 2.000 20 30 CEEDHN C[C@H](CCC#N)CN(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000602622444 347107535 /nfs/dbraw/zinc/10/75/35/347107535.db2.gz IGAWMCPLSCQIDV-NEPJUHHUSA-N 0 3 253.390 2.161 20 30 CEEDHN CC(C)[C@H](CNCc1cccc(C#N)n1)c1ccnn1C ZINC000602629256 347111206 /nfs/dbraw/zinc/11/12/06/347111206.db2.gz GRXIYMNREDHBTL-HNNXBMFYSA-N 0 3 283.379 2.216 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](CN2CCOCC2)C1 ZINC000129498120 365865708 /nfs/dbraw/zinc/86/57/08/365865708.db2.gz GNXPJYLBNIYRPQ-DOTOQJQBSA-N 0 3 299.418 2.273 20 30 CEEDHN C#CCCOc1ccc(CN2CCC[C@@](C)(O)C2)cc1 ZINC000129513234 365865933 /nfs/dbraw/zinc/86/59/33/365865933.db2.gz JJIYLLDYDCPHNN-QGZVFWFLSA-N 0 3 273.376 2.436 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)Nc1cc(C#N)nc(C2CC2)n1 ZINC000601195621 346783513 /nfs/dbraw/zinc/78/35/13/346783513.db2.gz QZQHXCXXCIUHTQ-ZDUSSCGKSA-N 0 3 299.422 2.180 20 30 CEEDHN N#Cc1cccc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)n1 ZINC000602671700 347135349 /nfs/dbraw/zinc/13/53/49/347135349.db2.gz UHUIFOVLWNRUAK-MSOLQXFVSA-N 0 3 293.370 2.209 20 30 CEEDHN CO[C@H]1C[C@H](N(C)Cc2cccc(C#N)n2)C12CCC2 ZINC000602680215 347140742 /nfs/dbraw/zinc/14/07/42/347140742.db2.gz KCJFXVSQVGYTHV-GJZGRUSLSA-N 0 3 271.364 2.343 20 30 CEEDHN N#CC[C@@]1(O)CCN(Cc2cccc3ncccc23)C1 ZINC000602695771 347152672 /nfs/dbraw/zinc/15/26/72/347152672.db2.gz IIPZVJFFUKVFOW-MRXNPFEDSA-N 0 3 267.332 2.085 20 30 CEEDHN COCC(C)(C)CCCNCc1cccc(C#N)n1 ZINC000602665440 347131514 /nfs/dbraw/zinc/13/15/14/347131514.db2.gz JICSMQFFQMXFKJ-UHFFFAOYSA-N 0 3 261.369 2.496 20 30 CEEDHN C=CCN1CCC(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000602768091 347190245 /nfs/dbraw/zinc/19/02/45/347190245.db2.gz UEZOWSQLARICLK-GDBMZVCRSA-N 0 3 294.439 2.348 20 30 CEEDHN C[C@@H]1OCC[C@@H]1CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000602793761 347200560 /nfs/dbraw/zinc/20/05/60/347200560.db2.gz KQRBRMVABUKZTA-CGTJXYLNSA-N 0 3 299.418 2.294 20 30 CEEDHN CC(C)(NCC1(CC#N)CC1)C(=O)NCC1CCCC1 ZINC000602800570 347203771 /nfs/dbraw/zinc/20/37/71/347203771.db2.gz QGPYPHRZLUUIGM-UHFFFAOYSA-N 0 3 277.412 2.355 20 30 CEEDHN Cc1ccsc1[C@H](CO)NCC1(CC#N)CC1 ZINC000602809614 347208055 /nfs/dbraw/zinc/20/80/55/347208055.db2.gz AKWRGVREAYZAFF-NSHDSACASA-N 0 3 250.367 2.373 20 30 CEEDHN C[C@H](CCC#N)CN[C@H]1Cc2ccccc2NC1=O ZINC000602726969 347173216 /nfs/dbraw/zinc/17/32/16/347173216.db2.gz UGZCFJFLODZWHW-RISCZKNCSA-N 0 3 257.337 2.079 20 30 CEEDHN N#CCC1(CN2CC[C@@H](OCc3ccncc3)C2)CC1 ZINC000602821192 347213835 /nfs/dbraw/zinc/21/38/35/347213835.db2.gz MLOGGDLHPCPWIV-OAHLLOKOSA-N 0 3 271.364 2.366 20 30 CEEDHN CN(C[C@@H](O)Cc1ccccc1)CC1(CC#N)CC1 ZINC000602840180 347220128 /nfs/dbraw/zinc/22/01/28/347220128.db2.gz MBYLBWJVLOCBAR-HNNXBMFYSA-N 0 3 258.365 2.216 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602905796 347243671 /nfs/dbraw/zinc/24/36/71/347243671.db2.gz CTLFUHGCEVFZTM-MRXNPFEDSA-N 0 3 271.364 2.070 20 30 CEEDHN C=C(C)CN1CC[C@](COC)(C(=O)OC(C)(C)C)C1 ZINC000602956949 347256838 /nfs/dbraw/zinc/25/68/38/347256838.db2.gz QLWYSTGNHZFTTJ-HNNXBMFYSA-N 0 3 269.385 2.243 20 30 CEEDHN N#CCc1ccc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 ZINC000602988818 347268635 /nfs/dbraw/zinc/26/86/35/347268635.db2.gz XUHXVNZKUHOXOQ-UONOGXRCSA-N 0 3 298.308 2.355 20 30 CEEDHN N#CCCCCN1CCN(Cc2ccc(O)cc2)CC1 ZINC000603007114 347271407 /nfs/dbraw/zinc/27/14/07/347271407.db2.gz YJUPJPCMELXNRL-UHFFFAOYSA-N 0 3 273.380 2.204 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)NCC2(N(C)C)CC2)c1 ZINC000603033481 347275450 /nfs/dbraw/zinc/27/54/50/347275450.db2.gz PSOLRDFPKLVOAH-UHFFFAOYSA-N 0 3 272.352 2.082 20 30 CEEDHN C[C@H](CN(C)CC(=O)N[C@](C)(C#N)C1CC1)C(C)(C)C ZINC000603056922 347278205 /nfs/dbraw/zinc/27/82/05/347278205.db2.gz XQQLFMBSFJXRRS-MLGOLLRUSA-N 0 3 279.428 2.409 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603071003 347280864 /nfs/dbraw/zinc/28/08/64/347280864.db2.gz KTDVPMBHBWMTIO-CQSZACIVSA-N 0 3 290.342 2.255 20 30 CEEDHN CC(C)(C)[C@@H](N)c1cn([C@@H](C#N)c2ccccc2)nn1 ZINC000603219914 347312661 /nfs/dbraw/zinc/31/26/61/347312661.db2.gz CPTGRERHCZZAQG-KBPBESRZSA-N 0 3 269.352 2.437 20 30 CEEDHN COc1cc(C#N)ccc1Cn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000603241029 347319569 /nfs/dbraw/zinc/31/95/69/347319569.db2.gz OIBNPFXODKMNTG-OAHLLOKOSA-N 0 3 299.378 2.253 20 30 CEEDHN CC[C@@](C)(N)c1cn(Cc2ccc(C#N)c(C)c2)nn1 ZINC000603238263 347319612 /nfs/dbraw/zinc/31/96/12/347319612.db2.gz UQYQVAGMRBQADD-OAHLLOKOSA-N 0 3 269.352 2.090 20 30 CEEDHN CCC(C#N)C(=O)N=c1[nH]n(Cc2ccccc2)cc1C ZINC000603423251 347366464 /nfs/dbraw/zinc/36/64/64/347366464.db2.gz LPYLXZAVWARDNP-AWEZNQCLSA-N 0 3 282.347 2.150 20 30 CEEDHN CC(C)CCN(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000603900910 347396514 /nfs/dbraw/zinc/39/65/14/347396514.db2.gz FCFPLKKZRVIMGI-UHFFFAOYSA-N 0 3 273.380 2.152 20 30 CEEDHN N#Cc1cnc(N2CCN(c3ccncc3)CC2)c(Cl)c1 ZINC000608885184 347623192 /nfs/dbraw/zinc/62/31/92/347623192.db2.gz OBXUVSZPJWSMOJ-UHFFFAOYSA-N 0 3 299.765 2.328 20 30 CEEDHN CN(C)CCn1cc(Nc2ncc(C#N)cc2Cl)cn1 ZINC000609630907 347648023 /nfs/dbraw/zinc/64/80/23/347648023.db2.gz KUDJCMBMXLRZJS-UHFFFAOYSA-N 0 3 290.758 2.108 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)c1cccc(C#N)c1 ZINC000609833644 347652385 /nfs/dbraw/zinc/65/23/85/347652385.db2.gz QREICFSBGWYSGS-OAHLLOKOSA-N 0 3 271.364 2.162 20 30 CEEDHN COc1ccc(OC2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000609920157 347655776 /nfs/dbraw/zinc/65/57/76/347655776.db2.gz OFKHBVKHOGNWJK-GFCCVEGCSA-N 0 3 288.347 2.225 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1COc2c1cccc2Cl ZINC000610714588 347705947 /nfs/dbraw/zinc/70/59/47/347705947.db2.gz QWXLDZOFKDUQTR-XCBNKYQSSA-N 0 3 250.685 2.049 20 30 CEEDHN CCNC(=O)[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390362 347772547 /nfs/dbraw/zinc/77/25/47/347772547.db2.gz VWQLQJIXCGDZHO-XHDPSFHLSA-N 0 3 271.364 2.050 20 30 CEEDHN COCCOCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611391410 347772837 /nfs/dbraw/zinc/77/28/37/347772837.db2.gz RJDUHMAEBXYXSZ-INIZCTEOSA-N 0 3 274.364 2.188 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CC(=O)N(C2CC2)C1 ZINC000611394665 347773401 /nfs/dbraw/zinc/77/34/01/347773401.db2.gz VSPWWHOXQQQQHU-WMLDXEAASA-N 0 3 295.386 2.289 20 30 CEEDHN C[C@@H](CNCc1ccc(C#N)cc1F)Cn1cccn1 ZINC000610946676 347723804 /nfs/dbraw/zinc/72/38/04/347723804.db2.gz QGMJDOMKTVAYMG-LBPRGKRZSA-N 0 3 272.327 2.320 20 30 CEEDHN C[C@@H](NCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(C#N)c1 ZINC000611438129 347779203 /nfs/dbraw/zinc/77/92/03/347779203.db2.gz PPPVQDWUJQTFTE-RBSFLKMASA-N 0 3 287.407 2.318 20 30 CEEDHN N#Cc1cc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)ccn1 ZINC000610995106 347730244 /nfs/dbraw/zinc/73/02/44/347730244.db2.gz HQYXALGZFMKMAU-CRAIPNDOSA-N 0 3 296.418 2.402 20 30 CEEDHN Cc1nc(NCCCCC#N)cc(NCCCCC#N)n1 ZINC000611030264 347733740 /nfs/dbraw/zinc/73/37/40/347733740.db2.gz POILHOANIIORDX-UHFFFAOYSA-N 0 3 286.383 2.418 20 30 CEEDHN Cc1ccnc(NCCN2CCC[C@@H](C)C2)c1C#N ZINC000273312370 192108665 /nfs/dbraw/zinc/10/86/65/192108665.db2.gz ISGAPASZQASSHB-GFCCVEGCSA-N 0 3 258.369 2.406 20 30 CEEDHN COCC1(N(C)CCOc2ccc(C#N)cc2OC)CC1 ZINC000611178457 347747558 /nfs/dbraw/zinc/74/75/58/347747558.db2.gz BGYLNARFORGXIM-UHFFFAOYSA-N 0 3 290.363 2.056 20 30 CEEDHN CC1(C#N)CCN(Cc2ccccc2-n2cncn2)CC1 ZINC000611561335 347794748 /nfs/dbraw/zinc/79/47/48/347794748.db2.gz OSLJTHAPECVWSL-UHFFFAOYSA-N 0 3 281.363 2.393 20 30 CEEDHN Cc1ccnc(N[C@H]2CCN(CC3CC3)C2)c1C#N ZINC000612077877 347841046 /nfs/dbraw/zinc/84/10/46/347841046.db2.gz VINVAGIFPZKVJP-ZDUSSCGKSA-N 0 3 256.353 2.158 20 30 CEEDHN CC1CCN(CCNC(=O)N2CCC[C@](C)(C#N)C2)CC1 ZINC000612109485 347846563 /nfs/dbraw/zinc/84/65/63/347846563.db2.gz RJGLZDDWQXBBLX-MRXNPFEDSA-N 0 3 292.427 2.054 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612124580 347847605 /nfs/dbraw/zinc/84/76/05/347847605.db2.gz BCLPQIZQFGBNNQ-HOCLYGCPSA-N 0 3 292.427 2.196 20 30 CEEDHN C[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)N1CCCCCC1 ZINC000612364117 347874139 /nfs/dbraw/zinc/87/41/39/347874139.db2.gz CUJHCCJCUSAILY-ZBFHGGJFSA-N 0 3 277.412 2.403 20 30 CEEDHN C[C@@H](c1ccccc1)[C@H](CO)NCc1ccnc(C#N)c1 ZINC000613390213 348037894 /nfs/dbraw/zinc/03/78/94/348037894.db2.gz ZRUKUGJGOYYJOV-GUYCJALGSA-N 0 3 281.359 2.207 20 30 CEEDHN CC(C)(C#N)c1ccc(CN2CCC(O)CC2)cc1 ZINC000614159429 348152454 /nfs/dbraw/zinc/15/24/54/348152454.db2.gz BNIVBVCWEUFFQX-UHFFFAOYSA-N 0 3 258.365 2.444 20 30 CEEDHN CC(C)[C@H](CNC[C@@H](C#N)CCC#N)c1ccnn1C ZINC000615939845 348417335 /nfs/dbraw/zinc/41/73/35/348417335.db2.gz ZFBJOWMWJPGDJH-KGLIPLIRSA-N 0 3 273.384 2.193 20 30 CEEDHN COC1(CO)CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000618551216 348973368 /nfs/dbraw/zinc/97/33/68/348973368.db2.gz ORCNMUGQZNKXRW-CYBMUJFWSA-N 0 3 274.364 2.093 20 30 CEEDHN CC(C)(C#N)c1ccc(CN2CC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000619057066 349106685 /nfs/dbraw/zinc/10/66/85/349106685.db2.gz QAZSQPURFHPFRJ-GOSISDBHSA-N 0 3 297.402 2.200 20 30 CEEDHN C[C@H](C(=O)N1CCC[C@@H]1CN(C)C)c1cccc(C#N)c1 ZINC000362753311 233174561 /nfs/dbraw/zinc/17/45/61/233174561.db2.gz RYCQZJOHDXKCIU-XJKSGUPXSA-N 0 3 285.391 2.214 20 30 CEEDHN Cc1cc(CN2CC[C@@H](N3CCOCC3)[C@@H]2C)ccc1C#N ZINC000352027494 219292870 /nfs/dbraw/zinc/29/28/70/219292870.db2.gz LDXPYAFZLIFDSR-MAUKXSAKSA-N 0 3 299.418 2.162 20 30 CEEDHN C[C@@H]1CCC[C@]1(O)CNCc1ccc(C#N)c(F)c1 ZINC000404153976 233193481 /nfs/dbraw/zinc/19/34/81/233193481.db2.gz UNODRRNXOLPPSA-ABAIWWIYSA-N 0 3 262.328 2.338 20 30 CEEDHN COc1cccc([C@H](CO)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000619672860 349215103 /nfs/dbraw/zinc/21/51/03/349215103.db2.gz RLNFPEPCVWGYDJ-LNSITVRQSA-N 0 3 260.337 2.010 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339624997 215276437 /nfs/dbraw/zinc/27/64/37/215276437.db2.gz VOICHFWBWCEJDO-CHWSQXEVSA-N 0 3 273.380 2.091 20 30 CEEDHN N#CCCN1CCN(CCCCC2CCOCC2)CC1 ZINC000619620990 349205850 /nfs/dbraw/zinc/20/58/50/349205850.db2.gz AOMOZWKNHBXKTE-UHFFFAOYSA-N 0 3 279.428 2.115 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000623598248 350061166 /nfs/dbraw/zinc/06/11/66/350061166.db2.gz WPXGDDGIPGUSCW-CABCVRRESA-N 0 3 279.428 2.468 20 30 CEEDHN C[C@@H]1[C@H](CO)CCCN1CCOc1cccc(C#N)c1 ZINC000412101774 233339671 /nfs/dbraw/zinc/33/96/71/233339671.db2.gz ZCGUHTQSZWGQNZ-HIFRSBDPSA-N 0 3 274.364 2.030 20 30 CEEDHN N#Cc1ccc(Cl)cc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091670589 180224117 /nfs/dbraw/zinc/22/41/17/180224117.db2.gz FSMSRBXTPZRTMI-ZIAGYGMSSA-N 0 3 291.782 2.487 20 30 CEEDHN C#CCN1CCC(C(=O)NC(C#N)(CCC)CCC)CC1 ZINC000106421503 186116724 /nfs/dbraw/zinc/11/67/24/186116724.db2.gz GPDQYQXASRWCLI-UHFFFAOYSA-N 0 3 289.423 2.310 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1cc(C)cc(C)c1 ZINC000107072054 186158927 /nfs/dbraw/zinc/15/89/27/186158927.db2.gz LUNRVKNHBFSEPH-ZIAGYGMSSA-N 0 3 258.365 2.092 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)NCc2ccc(F)cc2)C1 ZINC000625699982 350549650 /nfs/dbraw/zinc/54/96/50/350549650.db2.gz GGJFJAVCAJSOGL-AWEZNQCLSA-N 0 3 276.355 2.340 20 30 CEEDHN C=CCCN(C)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625941443 350610709 /nfs/dbraw/zinc/61/07/09/350610709.db2.gz BQEZHNMOGQTBFM-UHFFFAOYSA-N 0 3 275.352 2.208 20 30 CEEDHN C[C@@H]1[C@H](Nc2ccc(C(F)(F)F)c(C#N)n2)CCCN1C ZINC000337021237 365989408 /nfs/dbraw/zinc/98/94/08/365989408.db2.gz RLFWYOJHTBFFSP-MWLCHTKSSA-N 0 3 298.312 2.289 20 30 CEEDHN CN(CCC#N)C(=O)CCN(Cc1ccccc1)C1CC1 ZINC000130975390 366010170 /nfs/dbraw/zinc/01/01/70/366010170.db2.gz OBKRJYCLIBYEBG-UHFFFAOYSA-N 0 3 285.391 2.413 20 30 CEEDHN CC[C@@H](C)CN(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000111255240 186378955 /nfs/dbraw/zinc/37/89/55/186378955.db2.gz GEKDELYFZGKYPX-OCCSQVGLSA-N 0 3 253.390 2.019 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C=C)CC1 ZINC000111260130 186380184 /nfs/dbraw/zinc/38/01/84/186380184.db2.gz SHWWMWBMMTXFSI-CQSZACIVSA-N 0 3 262.397 2.474 20 30 CEEDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(C#N)cc1 ZINC000131004734 366012881 /nfs/dbraw/zinc/01/28/81/366012881.db2.gz IQYNBUOEYVUUBW-NSHDSACASA-N 0 3 285.307 2.014 20 30 CEEDHN CCN(Cc1cc(C#N)ccc1OC)CC(C)(C)O ZINC000131067903 366017377 /nfs/dbraw/zinc/01/73/77/366017377.db2.gz WPWFNPSKINSPTB-UHFFFAOYSA-N 0 3 262.353 2.160 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000628488792 351115104 /nfs/dbraw/zinc/11/51/04/351115104.db2.gz IOCVWTAGPYHPAF-AWEZNQCLSA-N 0 3 250.386 2.143 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1 ZINC000630082636 351609462 /nfs/dbraw/zinc/60/94/62/351609462.db2.gz KWMMJLWZHZUHIS-GFCCVEGCSA-N 0 3 250.386 2.332 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](CC)c2nccs2)CC1 ZINC000131383045 366047916 /nfs/dbraw/zinc/04/79/16/366047916.db2.gz YNHNJEQIRCYARM-CYBMUJFWSA-N 0 3 291.420 2.056 20 30 CEEDHN C=CCN1CC[C@@H](N2CC[C@@H](CC(C)C)C2)C1=O ZINC000337169260 366049767 /nfs/dbraw/zinc/04/97/67/366049767.db2.gz DODQBWWBBBCKHE-UONOGXRCSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC[C@H](C(C)C)C2)C1=O ZINC000337182926 366058461 /nfs/dbraw/zinc/05/84/61/366058461.db2.gz BMPKBQFXFAEQRJ-UONOGXRCSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@@H]2CC[C@@H](SCC)C2)C1=O ZINC000337190399 366064374 /nfs/dbraw/zinc/06/43/74/366064374.db2.gz RULHRJDCILUDHI-MCIONIFRSA-N 0 3 282.453 2.379 20 30 CEEDHN N#Cc1ccc2ncc(CNCCc3ccco3)n2c1 ZINC000123165342 187075087 /nfs/dbraw/zinc/07/50/87/187075087.db2.gz KCOOLBBZTUHHLT-UHFFFAOYSA-N 0 3 266.304 2.131 20 30 CEEDHN C=C1CC(C)(C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000630744648 351839981 /nfs/dbraw/zinc/83/99/81/351839981.db2.gz ZBFOFAHTYIZIJC-LBPRGKRZSA-N 0 3 250.386 2.191 20 30 CEEDHN C=C(C)COCCNCc1ccnn1CC1CCC1 ZINC000631090792 351958586 /nfs/dbraw/zinc/95/85/86/351958586.db2.gz KEDZHKXPJWGWQQ-UHFFFAOYSA-N 0 3 263.385 2.366 20 30 CEEDHN C#CC[C@@H](N[C@H](C)CC(=O)N(C)C)c1ccccc1 ZINC000271535530 191198856 /nfs/dbraw/zinc/19/88/56/191198856.db2.gz QCQSDWYPMWWNCR-UKRRQHHQSA-N 0 3 258.365 2.207 20 30 CEEDHN C#CCSCCNCc1cc(OC)ccc1OC ZINC000152950486 188055436 /nfs/dbraw/zinc/05/54/36/188055436.db2.gz CYOWHFAGZSDDAY-UHFFFAOYSA-N 0 3 265.378 2.160 20 30 CEEDHN CNC(=O)CCCN(C)CC#Cc1ccc(Cl)cc1 ZINC000154919935 188170404 /nfs/dbraw/zinc/17/04/04/188170404.db2.gz IUPVLOVYLAFHIU-UHFFFAOYSA-N 0 3 278.783 2.150 20 30 CEEDHN CC#CCCN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000156778606 188280922 /nfs/dbraw/zinc/28/09/22/188280922.db2.gz KASFVHMFNRMFAG-CYBMUJFWSA-N 0 3 258.369 2.206 20 30 CEEDHN C=CCCC[C@@H](C)N(C)[C@H]1CCN(CC=C)C1=O ZINC000337223485 366087901 /nfs/dbraw/zinc/08/79/01/366087901.db2.gz MTDGUURFWTUIME-KGLIPLIRSA-N 0 3 250.386 2.450 20 30 CEEDHN C=CCCC[C@H](C)N(C)[C@@H]1CCN(CC=C)C1=O ZINC000337223486 366088466 /nfs/dbraw/zinc/08/84/66/366088466.db2.gz MTDGUURFWTUIME-UONOGXRCSA-N 0 3 250.386 2.450 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@H]2CCC(C)(C)C2)C1=O ZINC000337232685 366094144 /nfs/dbraw/zinc/09/41/44/366094144.db2.gz JQIQHPCYEHBRMK-STQMWFEESA-N 0 3 250.386 2.284 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000336401751 213259499 /nfs/dbraw/zinc/25/94/99/213259499.db2.gz JNJMILAYEFSSSC-HNNXBMFYSA-N 0 3 283.375 2.175 20 30 CEEDHN CCC1(C)CCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000337703255 366169109 /nfs/dbraw/zinc/16/91/09/366169109.db2.gz YKKBETNADDCZTG-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN C[C@@H]1CCCCN1CCNc1nccc(C#N)c1[N+](=O)[O-] ZINC000133142927 366198663 /nfs/dbraw/zinc/19/86/63/366198663.db2.gz KCNYSGQSUJWGPN-LLVKDONJSA-N 0 3 289.339 2.148 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000338128370 366203570 /nfs/dbraw/zinc/20/35/70/366203570.db2.gz SSXJAVYBEMWPMR-BBRMVZONSA-N 0 3 283.375 2.033 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000338132035 366204721 /nfs/dbraw/zinc/20/47/21/366204721.db2.gz PXKXADHJCVSIKH-FZMZJTMJSA-N 0 3 271.364 2.079 20 30 CEEDHN N#Cc1cccc(C2(NCCC3OCCCO3)CC2)c1 ZINC000271746328 191303451 /nfs/dbraw/zinc/30/34/51/191303451.db2.gz DPJHIRWSTXHJFL-UHFFFAOYSA-N 0 3 272.348 2.290 20 30 CEEDHN Cc1cc(C(=O)NC[C@H]2CCCCN2C2CC2)ncc1C#N ZINC000569786489 299218875 /nfs/dbraw/zinc/21/88/75/299218875.db2.gz PKOVDUJCZZXOKA-OAHLLOKOSA-N 0 3 298.390 2.008 20 30 CEEDHN Cc1nnc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c(C#N)c1C ZINC000133541173 366234199 /nfs/dbraw/zinc/23/41/99/366234199.db2.gz ABCBANYYEBPUHQ-BXKDBHETSA-N 0 3 271.368 2.002 20 30 CEEDHN CC[C@H]1C[C@@H](C)CN1CC(=O)NC1(C#N)CCCCC1 ZINC000075022760 363435028 /nfs/dbraw/zinc/43/50/28/363435028.db2.gz JINVWMHQARLBEQ-KGLIPLIRSA-N 0 3 277.412 2.449 20 30 CEEDHN CCCN(CC(=O)N(CC)C[C@@H](C)C#N)CC(C)C ZINC000346607357 283090591 /nfs/dbraw/zinc/09/05/91/283090591.db2.gz UMEPWZYXCHUDKQ-AWEZNQCLSA-N 0 3 267.417 2.363 20 30 CEEDHN Cc1cc(C)c(C#N)c(NCC2=CCN(C)CC2)n1 ZINC000273719359 192276457 /nfs/dbraw/zinc/27/64/57/192276457.db2.gz GJNUTPWZMHYDQK-UHFFFAOYSA-N 0 3 256.353 2.244 20 30 CEEDHN N#Cc1cccc(C#N)c1N1CC[C@H](N2CCCCC2)C1 ZINC000408404859 283203201 /nfs/dbraw/zinc/20/32/01/283203201.db2.gz KMWQQGWDURCFGS-INIZCTEOSA-N 0 3 280.375 2.495 20 30 CEEDHN N#Cc1ccnc(C(=O)N2CCC[C@H]2CN2CCCCC2)c1 ZINC000289178075 283219527 /nfs/dbraw/zinc/21/95/27/283219527.db2.gz QVFOFCHENHVNGP-HNNXBMFYSA-N 0 3 298.390 2.044 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](C(=O)N(C)C)C1 ZINC000336282110 213121380 /nfs/dbraw/zinc/12/13/80/213121380.db2.gz ZTQMKAVZEXFQQP-WFASDCNBSA-N 0 3 271.364 2.029 20 30 CEEDHN C=CCCN1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000338543704 366403125 /nfs/dbraw/zinc/40/31/25/366403125.db2.gz RJSOJSSINBCHNL-HZPDHXFCSA-N 0 3 298.386 2.212 20 30 CEEDHN C=CCC[C@@H](CO)N[C@H](C)c1cn2ccccc2n1 ZINC000578083272 366442936 /nfs/dbraw/zinc/44/29/36/366442936.db2.gz RZGOMKPUSLPHOX-OLZOCXBDSA-N 0 3 259.353 2.312 20 30 CEEDHN N#Cc1ccc(CNCCOCC(F)(F)F)s1 ZINC000135674448 366467115 /nfs/dbraw/zinc/46/71/15/366467115.db2.gz PSCLJMVPGLKBBY-UHFFFAOYSA-N 0 3 264.272 2.288 20 30 CEEDHN C[C@@H](CNc1nccnc1C#N)N1CCCC[C@@H]1C ZINC000338722670 366490203 /nfs/dbraw/zinc/49/02/03/366490203.db2.gz WCXUSYQHXOPLAN-RYUDHWBXSA-N 0 3 259.357 2.023 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cnc2cc(C)nn2c1C ZINC000578294937 366471539 /nfs/dbraw/zinc/47/15/39/366471539.db2.gz VIDPEWDHZIYVJL-GLQYFDAESA-N 0 3 286.379 2.340 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@@H](c2nnc[nH]2)C1 ZINC000578351665 366482019 /nfs/dbraw/zinc/48/20/19/366482019.db2.gz RLJUDWXYUKMASU-CQSZACIVSA-N 0 3 284.363 2.359 20 30 CEEDHN CN(Cc1cnc2c(C#N)cnn2c1)C1CC(C)(C)C1 ZINC000578359499 366483752 /nfs/dbraw/zinc/48/37/52/366483752.db2.gz XPQHFDVBDXPQFW-UHFFFAOYSA-N 0 3 269.352 2.221 20 30 CEEDHN C=CCCn1cc(CN(CCN(C)C)C2CCCC2)nn1 ZINC000668009115 540550941 /nfs/dbraw/zinc/55/09/41/540550941.db2.gz NCZUBFHIIKXZIV-UHFFFAOYSA-N 0 3 291.443 2.160 20 30 CEEDHN CCC#C[C@H](C)N1CCC[C@@H](CCNC(C)=O)C1 ZINC000672576569 540628195 /nfs/dbraw/zinc/62/81/95/540628195.db2.gz NMHVQHIFWNIDIA-ZFWWWQNUSA-N 0 3 250.386 2.027 20 30 CEEDHN C[C@@H]1CCN(CC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000571179685 299298462 /nfs/dbraw/zinc/29/84/62/299298462.db2.gz UYTUCVGRUXEJJA-CQSZACIVSA-N 0 3 297.402 2.391 20 30 CEEDHN CN(C)[C@@H]1CCCN(C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000151051061 366615412 /nfs/dbraw/zinc/61/54/12/366615412.db2.gz AFXSECQPJWXQAE-LLVKDONJSA-N 0 3 293.317 2.003 20 30 CEEDHN CC1(C)CCN(CC(=O)NCc2ccc(CC#N)cc2)C1 ZINC000579241167 366616566 /nfs/dbraw/zinc/61/65/66/366616566.db2.gz DMXJUIZXCZVIPY-UHFFFAOYSA-N 0 3 285.391 2.101 20 30 CEEDHN C[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)N(C)C1CC1 ZINC000151237695 366632414 /nfs/dbraw/zinc/63/24/14/366632414.db2.gz IOAMSMUAGYPWTM-SECBINFHSA-N 0 3 293.317 2.049 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000579436802 366644438 /nfs/dbraw/zinc/64/44/38/366644438.db2.gz VYILTLLPPUTRMV-GAGVYUBLSA-N 0 3 299.418 2.081 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)/C=C/c1cccc(C#N)c1 ZINC000151804642 366666156 /nfs/dbraw/zinc/66/61/56/366666156.db2.gz OEEKHBHBWHMADR-CMDGGOBGSA-N 0 3 285.391 2.370 20 30 CEEDHN CC(C)[C@@H](C)N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000341808975 216115048 /nfs/dbraw/zinc/11/50/48/216115048.db2.gz LFDMKKCVSAURDF-CYBMUJFWSA-N 0 3 273.380 2.151 20 30 CEEDHN C#CCN(CCC(=O)OC)[C@H]1CCc2ccccc21 ZINC000081665702 363736498 /nfs/dbraw/zinc/73/64/98/363736498.db2.gz RVEJJLADXJNLFW-HNNXBMFYSA-N 0 3 257.333 2.172 20 30 CEEDHN C=CC[C@@H](C)NC(=O)N[C@@H](CC)CN1CCCC1 ZINC000675196514 540815790 /nfs/dbraw/zinc/81/57/90/540815790.db2.gz BOLMBYARKKZNKO-OLZOCXBDSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCCOCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000675921315 540882722 /nfs/dbraw/zinc/88/27/22/540882722.db2.gz DLWSUYKLSQZWDF-UHFFFAOYSA-N 0 3 280.412 2.056 20 30 CEEDHN CCN(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179912536 189227838 /nfs/dbraw/zinc/22/78/38/189227838.db2.gz PWNVVBGHRFBJTB-UHFFFAOYSA-N 0 3 254.337 2.410 20 30 CEEDHN COCCCN(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179997718 189231379 /nfs/dbraw/zinc/23/13/79/189231379.db2.gz QKFXWAJQTPBPAN-UHFFFAOYSA-N 0 3 298.390 2.427 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000180035629 189233741 /nfs/dbraw/zinc/23/37/41/189233741.db2.gz JMBUACJYLHCYSY-TZMCWYRMSA-N 0 3 258.365 2.435 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCN(Cc2cccc(C)c2)CC1 ZINC000677046852 540975424 /nfs/dbraw/zinc/97/54/24/540975424.db2.gz LPVWMARAEUTMLO-QGZVFWFLSA-N 0 3 274.408 2.050 20 30 CEEDHN N#CCC[C@H](C#N)CNC[C@H]1CCOC2(CCC2)C1 ZINC000579947967 366727805 /nfs/dbraw/zinc/72/78/05/366727805.db2.gz LTPTWOATCSCDKX-UONOGXRCSA-N 0 3 261.369 2.369 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC12CCOCC2 ZINC000580041020 366739354 /nfs/dbraw/zinc/73/93/54/366739354.db2.gz YSYRNECIPFMXGH-JKSUJKDBSA-N 0 3 298.386 2.444 20 30 CEEDHN N#Cc1ccccc1OCCN1CC[C@@]2(CCOC2)C1 ZINC000154060449 366754512 /nfs/dbraw/zinc/75/45/12/366754512.db2.gz HICJPAHCPZIYFE-MRXNPFEDSA-N 0 3 272.348 2.049 20 30 CEEDHN N#Cc1c(F)cccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000301732441 201164400 /nfs/dbraw/zinc/16/44/00/201164400.db2.gz TUTCPNIBQCLGPY-CYBMUJFWSA-N 0 3 289.354 2.363 20 30 CEEDHN N#Cc1c(F)cccc1NC1CCN([C@H]2CCOC2)CC1 ZINC000301732444 201166403 /nfs/dbraw/zinc/16/64/03/201166403.db2.gz TUTCPNIBQCLGPY-ZDUSSCGKSA-N 0 3 289.354 2.363 20 30 CEEDHN C=CCCC[C@H](C)N1CCN(C(C)(C)CO)CC1 ZINC000678717121 541165981 /nfs/dbraw/zinc/16/59/81/541165981.db2.gz FZTOHVVTJWEXRY-AWEZNQCLSA-N 0 3 254.418 2.120 20 30 CEEDHN C=CCCC[C@H](C)N1CCN([C@@H]2CCOC2)CC1 ZINC000678718637 541166605 /nfs/dbraw/zinc/16/66/05/541166605.db2.gz JBIYQMMFYQNUCH-LSDHHAIUSA-N 0 3 252.402 2.138 20 30 CEEDHN COCC#CCN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000678896091 541189176 /nfs/dbraw/zinc/18/91/76/541189176.db2.gz ZYWLGIIQVCJOOR-KRWDZBQOSA-N 0 3 287.359 2.148 20 30 CEEDHN OCC1(NCC#Cc2ccc(F)cc2)CCCCC1 ZINC000678972488 541199292 /nfs/dbraw/zinc/19/92/92/541199292.db2.gz KQALRHJROSASDM-UHFFFAOYSA-N 0 3 261.340 2.462 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000342555355 216399799 /nfs/dbraw/zinc/39/97/99/216399799.db2.gz KXMLGMFFQVPGDX-MRXNPFEDSA-N 0 3 285.391 2.391 20 30 CEEDHN C=CCOCCNCc1c[nH]nc1-c1cccc(OC)c1 ZINC000679486274 541279914 /nfs/dbraw/zinc/27/99/14/541279914.db2.gz IWTIPWVEYQMNHI-UHFFFAOYSA-N 0 3 287.363 2.378 20 30 CEEDHN CCN(CC#N)Cc1ccccc1N1CCN(CC)CC1 ZINC000092399050 364076912 /nfs/dbraw/zinc/07/69/12/364076912.db2.gz AFZJRXICOMAEIA-UHFFFAOYSA-N 0 3 286.423 2.174 20 30 CEEDHN CC[C@H](NCCOc1ccc(C#N)cc1)c1cnn(C)c1 ZINC000090107584 364040778 /nfs/dbraw/zinc/04/07/78/364040778.db2.gz GDIATUGOQBHQKD-INIZCTEOSA-N 0 3 284.363 2.411 20 30 CEEDHN N#Cc1ccsc1C(=O)NC1CC(N2CCCCC2)C1 ZINC000334620150 364089879 /nfs/dbraw/zinc/08/98/79/364089879.db2.gz UFGQPNFFZHJWTC-UHFFFAOYSA-N 0 3 289.404 2.366 20 30 CEEDHN CN(C)CCN(Cc1nc(C#N)cs1)C1CCCC1 ZINC000356414019 370701046 /nfs/dbraw/zinc/70/10/46/370701046.db2.gz BQLUOLDQGLVQTK-UHFFFAOYSA-N 0 3 278.425 2.321 20 30 CEEDHN N#Cc1csc(CNC2(CO)CCCCC2)c1 ZINC000093687929 364215254 /nfs/dbraw/zinc/21/52/54/364215254.db2.gz DCSRHTVAYVADNY-UHFFFAOYSA-N 0 3 250.367 2.405 20 30 CEEDHN C=CCc1cc(CN(C)CC[C@@H](C)O)cc(OC)c1O ZINC000093481364 364189183 /nfs/dbraw/zinc/18/91/83/364189183.db2.gz MKNOTROMHPYTKD-GFCCVEGCSA-N 0 3 279.380 2.332 20 30 CEEDHN C#CCOc1ccc(CN2CC[C@](C)(C(=O)OC)C2)cc1 ZINC000093813825 364230893 /nfs/dbraw/zinc/23/08/93/364230893.db2.gz QVUNZTLEZVMHJQ-KRWDZBQOSA-N 0 3 287.359 2.084 20 30 CEEDHN CN(CCCN(C)c1ccc(C#N)c(N)n1)Cc1ccco1 ZINC000572057779 299342188 /nfs/dbraw/zinc/34/21/88/299342188.db2.gz AFSVOIRZEHKIDT-UHFFFAOYSA-N 0 3 299.378 2.087 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000335045991 364397173 /nfs/dbraw/zinc/39/71/73/364397173.db2.gz UNDGGEKPESQLDS-JOYOIKCWSA-N 0 3 262.284 2.315 20 30 CEEDHN CN1CC[C@]2(CCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 ZINC000335081556 364450631 /nfs/dbraw/zinc/45/06/31/364450631.db2.gz PXGMLQLUFIJZCX-SFHVURJKSA-N 0 3 297.402 2.045 20 30 CEEDHN CC#CCN1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 ZINC000157860778 366848933 /nfs/dbraw/zinc/84/89/33/366848933.db2.gz LZLSJOJCCGTYGO-UONOGXRCSA-N 0 3 250.386 2.027 20 30 CEEDHN Cc1cc(CN2CCC[C@H]([C@@H](C)O)C2)ccc1C#N ZINC000572093813 299345356 /nfs/dbraw/zinc/34/53/56/299345356.db2.gz UIOQUYPNTMEUCL-CJNGLKHVSA-N 0 3 258.365 2.460 20 30 CEEDHN Cn1cc(CN2CC[C@@H](c3cccnc3)C2)cc1C#N ZINC000335445386 364745238 /nfs/dbraw/zinc/74/52/38/364745238.db2.gz VRBIDYJRQHFXRH-OAHLLOKOSA-N 0 3 266.348 2.281 20 30 CEEDHN Cn1cc(CN[C@@H]2CCCN(c3ccccc3C#N)C2)cn1 ZINC000109078253 364717571 /nfs/dbraw/zinc/71/75/71/364717571.db2.gz UTKPEIUKNCCBCB-MRXNPFEDSA-N 0 3 295.390 2.050 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2cc(C#N)ccc2Cl)CCN1C ZINC000335707016 364861753 /nfs/dbraw/zinc/86/17/53/364861753.db2.gz CZLXCUGPOBNSFP-ZYHUDNBSSA-N 0 3 291.782 2.424 20 30 CEEDHN CNC(=O)NC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000335756107 364936500 /nfs/dbraw/zinc/93/65/00/364936500.db2.gz LZNSWOYDIUVJND-LBPRGKRZSA-N 0 3 286.379 2.013 20 30 CEEDHN CC[C@@H]1CN(CC#CCOC)CCN1Cc1ccccc1 ZINC000680581863 541431858 /nfs/dbraw/zinc/43/18/58/541431858.db2.gz VWHAQMOLMDPZAD-GOSISDBHSA-N 0 3 286.419 2.233 20 30 CEEDHN CCC[C@@H](CC)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115598576 365019711 /nfs/dbraw/zinc/01/97/11/365019711.db2.gz LHBHPGINAUSMRR-ZIAGYGMSSA-N 0 3 259.353 2.253 20 30 CEEDHN CC(C#N)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000335827904 365038409 /nfs/dbraw/zinc/03/84/09/365038409.db2.gz UOQJLBNKCSRRDW-SECBINFHSA-N 0 3 271.295 2.351 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H](SC)C2)CC1 ZINC000117221256 365096889 /nfs/dbraw/zinc/09/68/89/365096889.db2.gz VZZXWCHMDHWIJQ-CABCVRRESA-N 0 3 294.464 2.122 20 30 CEEDHN C=CCOCc1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000680776870 541453152 /nfs/dbraw/zinc/45/31/52/541453152.db2.gz HPAWXBQYJJRWHO-YOGCLGLASA-N 0 3 263.341 2.112 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000336070006 365365210 /nfs/dbraw/zinc/36/52/10/365365210.db2.gz WYLRZDUBSYTXHU-YUMQZZPRSA-N 0 3 282.141 2.181 20 30 CEEDHN C[C@H](N[C@@H]1CNCCC1(F)F)c1ccc(C#N)cc1F ZINC000335567918 212276542 /nfs/dbraw/zinc/27/65/42/212276542.db2.gz IIFIJIKBQSZZHH-TVQRCGJNSA-N 0 3 283.297 2.345 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@H]2CC(=O)N(c3ccccc3F)C2)C1 ZINC000582275203 366888301 /nfs/dbraw/zinc/88/83/01/366888301.db2.gz FBMNIQICZFGUMM-AGIUHOORSA-N 0 3 287.338 2.213 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000336178539 365517763 /nfs/dbraw/zinc/51/77/63/365517763.db2.gz LJGAQGPOZDMCBL-TZMCWYRMSA-N 0 3 271.364 2.079 20 30 CEEDHN C=CCOCCN1CCN(C)C2(CCCCC2)C1 ZINC000582309713 366894056 /nfs/dbraw/zinc/89/40/56/366894056.db2.gz MXRFIQAJDIQJDG-UHFFFAOYSA-N 0 3 252.402 2.139 20 30 CEEDHN C=CCCOCCNCc1cnn(C(C)(C)C)c1 ZINC000120849715 365484371 /nfs/dbraw/zinc/48/43/71/365484371.db2.gz LRMPCJORTDSMPO-UHFFFAOYSA-N 0 3 251.374 2.320 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000680998262 541485801 /nfs/dbraw/zinc/48/58/01/541485801.db2.gz ZNBDLZYTKTZGCO-TZMCWYRMSA-N 0 3 250.386 2.189 20 30 CEEDHN COCCCN1CCC(Nc2nc(C)ccc2C#N)CC1 ZINC000161120849 367059262 /nfs/dbraw/zinc/05/92/62/367059262.db2.gz SKYUWNWJNZGOQP-UHFFFAOYSA-N 0 3 288.395 2.175 20 30 CEEDHN C=CCN(C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000161138525 367060930 /nfs/dbraw/zinc/06/09/30/367060930.db2.gz BDFZCFJNFHKMJJ-CQSZACIVSA-N 0 3 261.369 2.117 20 30 CEEDHN Cc1ccc(C#N)c(N(C)C[C@@H]2CCCN(C)C2)n1 ZINC000161455625 367087591 /nfs/dbraw/zinc/08/75/91/367087591.db2.gz OROLUJSXSWEIBN-CYBMUJFWSA-N 0 3 258.369 2.040 20 30 CEEDHN CC(C#N)C(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000357786532 370829605 /nfs/dbraw/zinc/82/96/05/370829605.db2.gz FTOSAXLPNUYSFF-LBPRGKRZSA-N 0 3 290.338 2.150 20 30 CEEDHN C[C@H](NCCCC#N)c1ccc(-n2cncn2)cc1 ZINC000163079170 367215991 /nfs/dbraw/zinc/21/59/91/367215991.db2.gz HPXQAWPAXPBOBX-LBPRGKRZSA-N 0 3 255.325 2.222 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc(C#N)cc2)CCCN1C ZINC000342359385 367402981 /nfs/dbraw/zinc/40/29/81/367402981.db2.gz PXAYXFZQYDAHNO-RISCZKNCSA-N 0 3 272.352 2.162 20 30 CEEDHN C=CCNC(=O)CNC(C)(C)CCc1ccccc1 ZINC000170810985 367421331 /nfs/dbraw/zinc/42/13/31/367421331.db2.gz BATKPJRCNUCUKP-UHFFFAOYSA-N 0 3 260.381 2.290 20 30 CEEDHN CC(C)N1C[C@H](Nc2nccc(C#N)c2Cl)[C@@H](C)C1 ZINC000342566838 367424795 /nfs/dbraw/zinc/42/47/95/367424795.db2.gz LYGHXMNKSITKNA-JQWIXIFHSA-N 0 3 278.787 2.169 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1ccnc(C#N)c1 ZINC000342831972 367561122 /nfs/dbraw/zinc/56/11/22/367561122.db2.gz PYJZZZWHZRDMOO-KBXCAEBGSA-N 0 3 292.386 2.308 20 30 CEEDHN C=CCCOCCCCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000342750027 367513579 /nfs/dbraw/zinc/51/35/79/367513579.db2.gz AWVBEJXZDQPVST-AWEZNQCLSA-N 0 3 280.412 2.102 20 30 CEEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)[C@@H]1CCCCO1 ZINC000342768265 367522942 /nfs/dbraw/zinc/52/29/42/367522942.db2.gz KCYCBSJFPIDIJP-WFASDCNBSA-N 0 3 284.363 2.253 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000681479985 541553384 /nfs/dbraw/zinc/55/33/84/541553384.db2.gz LOBICCYMUSGIEJ-IRXDYDNUSA-N 0 3 273.376 2.445 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2ccccc2C)CC1 ZINC000171726132 367604013 /nfs/dbraw/zinc/60/40/13/367604013.db2.gz NINOQGPIVMDKNF-UHFFFAOYSA-N 0 3 272.392 2.304 20 30 CEEDHN CCC#C[C@@H](C)N1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000681699413 541583720 /nfs/dbraw/zinc/58/37/20/541583720.db2.gz USZQGTVQWWOGJN-CXAGYDPISA-N 0 3 268.360 2.384 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(C)C)C2)C1 ZINC000632508607 367823181 /nfs/dbraw/zinc/82/31/81/367823181.db2.gz IUYABTPVVQHCPO-CYBMUJFWSA-N 0 3 250.386 2.332 20 30 CEEDHN CCCN(CC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000343641394 367933130 /nfs/dbraw/zinc/93/31/30/367933130.db2.gz BXNRASDIEZJIIP-OCCSQVGLSA-N 0 3 253.390 2.161 20 30 CEEDHN N#CCc1ccc(CN2CCSC[C@@H]2CCO)cc1 ZINC000343577219 367895598 /nfs/dbraw/zinc/89/55/98/367895598.db2.gz MBPKVAZOPHTBCC-HNNXBMFYSA-N 0 3 276.405 2.052 20 30 CEEDHN Cc1ccc(NC(=O)[C@H](C)C#N)c(OCCN(C)C)c1 ZINC000343660564 367942940 /nfs/dbraw/zinc/94/29/40/367942940.db2.gz PKSQOJKJVLJHDK-GFCCVEGCSA-N 0 3 275.352 2.034 20 30 CEEDHN C[C@H](CN1CCC[C@@H](C)C1)NCc1ccc(C#N)o1 ZINC000174301047 368007993 /nfs/dbraw/zinc/00/79/93/368007993.db2.gz OUHLHAIAPJUFDV-CHWSQXEVSA-N 0 3 261.369 2.361 20 30 CEEDHN CC#CCCN(C)CCOCc1ccc(C#N)cc1 ZINC000344122571 368109071 /nfs/dbraw/zinc/10/90/71/368109071.db2.gz UCIQGAIBZUSMCH-UHFFFAOYSA-N 0 3 256.349 2.420 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](C2CC2)C1 ZINC000344022888 368102397 /nfs/dbraw/zinc/10/23/97/368102397.db2.gz HHJDNVBEQXUQKM-IVMMDQJWSA-N 0 3 277.412 2.161 20 30 CEEDHN C[C@H]1[C@H](NC(=O)Nc2ccc(F)cc2C#N)CCCN1C ZINC000345248945 368207835 /nfs/dbraw/zinc/20/78/35/368207835.db2.gz JIVKEQZIPMFQIJ-GXFFZTMASA-N 0 3 290.342 2.302 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)[C@H](C)C1(C)CC1 ZINC000177234092 368262928 /nfs/dbraw/zinc/26/29/28/368262928.db2.gz YPKFIKBEGJLQKB-CYBMUJFWSA-N 0 3 250.386 2.307 20 30 CEEDHN CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCCN(C)C1 ZINC000181107437 368422199 /nfs/dbraw/zinc/42/21/99/368422199.db2.gz LLAFOSZKINYTKQ-MRXNPFEDSA-N 0 3 297.402 2.408 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000345918961 368481997 /nfs/dbraw/zinc/48/19/97/368481997.db2.gz BBHKPFLFJKCWFY-QXSJWSMHSA-N 0 3 294.439 2.347 20 30 CEEDHN C=CCC[C@H](O)CN(CC)C[C@@H]1COc2ccccc2O1 ZINC000246016406 370899770 /nfs/dbraw/zinc/89/97/70/370899770.db2.gz MJXIRKHMDHCTHQ-LSDHHAIUSA-N 0 3 291.391 2.475 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCC2CCC2)CC1 ZINC000358164662 370932801 /nfs/dbraw/zinc/93/28/01/370932801.db2.gz IIEMUKDGGHUZGA-UHFFFAOYSA-N 0 3 265.401 2.126 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000347703023 368817200 /nfs/dbraw/zinc/81/72/00/368817200.db2.gz GQWQOAAQVQSWPZ-MELADBBJSA-N 0 3 280.412 2.005 20 30 CEEDHN C=CCOCCCN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000348040481 368868532 /nfs/dbraw/zinc/86/85/32/368868532.db2.gz VQFURNHTMZZSDJ-CQSZACIVSA-N 0 3 279.384 2.225 20 30 CEEDHN C=CCOCCCN1CCC[C@@H](c2nncn2CC)C1 ZINC000348044962 368871327 /nfs/dbraw/zinc/87/13/27/368871327.db2.gz IKTNGDCRTBDFBT-CQSZACIVSA-N 0 3 278.400 2.070 20 30 CEEDHN C#C[C@H](C)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000186010492 368905627 /nfs/dbraw/zinc/90/56/27/368905627.db2.gz WVEDWYICYPNTPT-JKSUJKDBSA-N 0 3 299.418 2.314 20 30 CEEDHN CC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000348276534 368981614 /nfs/dbraw/zinc/98/16/14/368981614.db2.gz OLKFFVUZPOMAEL-AWEZNQCLSA-N 0 3 267.332 2.157 20 30 CEEDHN C[C@H](CO)N(Cc1cnc2ccc(C#N)cn12)CC1CCC1 ZINC000348352712 369013465 /nfs/dbraw/zinc/01/34/65/369013465.db2.gz KZUVKLKHIYPUAP-CYBMUJFWSA-N 0 3 298.390 2.189 20 30 CEEDHN COc1cc(CNCC2(CC#N)CC2)cc(OC)c1O ZINC000348373707 369023146 /nfs/dbraw/zinc/02/31/46/369023146.db2.gz INSHCAFXFPRVNM-UHFFFAOYSA-N 0 3 276.336 2.193 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000186704145 369023422 /nfs/dbraw/zinc/02/34/22/369023422.db2.gz RNGCRHUDAWAYRU-CMPLNLGQSA-N 0 3 250.298 2.182 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000186712561 369025245 /nfs/dbraw/zinc/02/52/45/369025245.db2.gz GMCQYWMVYTYUGQ-ZFWWWQNUSA-N 0 3 288.391 2.401 20 30 CEEDHN CCOC[C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C(C)C ZINC000348476039 369056962 /nfs/dbraw/zinc/05/69/62/369056962.db2.gz FWMUQPRNEOZZEZ-IJEWVQPXSA-N 0 3 297.443 2.080 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H](C)OC)C(C)C ZINC000276078353 193207308 /nfs/dbraw/zinc/20/73/08/193207308.db2.gz UKXFKXTVOIVDCW-CABCVRRESA-N 0 3 297.443 2.019 20 30 CEEDHN CC(C)OCC[C@@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000349239254 369274616 /nfs/dbraw/zinc/27/46/16/369274616.db2.gz FUMKUCRSHYHHDN-MRXNPFEDSA-N 0 3 276.380 2.166 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000188378529 369347077 /nfs/dbraw/zinc/34/70/77/369347077.db2.gz SJFIRCZWUTYVAR-NVXWUHKLSA-N 0 3 272.392 2.389 20 30 CEEDHN C=CCOc1ccc(CN(C)CC2(CO)CC2)cc1OC ZINC000188951777 369434169 /nfs/dbraw/zinc/43/41/69/369434169.db2.gz FKULPIGSIIROTA-UHFFFAOYSA-N 0 3 291.391 2.464 20 30 CEEDHN C=CCCCC(=O)N(CCCOC)C1CCN(C)CC1 ZINC000358214908 370954065 /nfs/dbraw/zinc/95/40/65/370954065.db2.gz BGGQVQFKKUQPFF-UHFFFAOYSA-N 0 3 282.428 2.302 20 30 CEEDHN C=CCN(C(=O)NC[C@@H]1CCCN1CCC)C1CC1 ZINC000358268063 370984566 /nfs/dbraw/zinc/98/45/66/370984566.db2.gz BARBZEHOHZFXSY-AWEZNQCLSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCN(CCOC)C[C@@H](O)COc1c(C)cccc1C ZINC000191074499 369674350 /nfs/dbraw/zinc/67/43/50/369674350.db2.gz HYWSSWCBBVAGIY-MRXNPFEDSA-N 0 3 293.407 2.178 20 30 CEEDHN Cn1cc(CN2CC[C@@H](CNc3ccccn3)C2)cc1C#N ZINC000191304612 369700440 /nfs/dbraw/zinc/70/04/40/369700440.db2.gz VIUGSEVPWHFUBA-AWEZNQCLSA-N 0 3 295.390 2.226 20 30 CEEDHN COCCOC[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192045873 369767880 /nfs/dbraw/zinc/76/78/80/369767880.db2.gz FKRWEOWHAVXBSX-AWEZNQCLSA-N 0 3 292.354 2.182 20 30 CEEDHN C#CCCCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000192309917 369793665 /nfs/dbraw/zinc/79/36/65/369793665.db2.gz GLOUFMRWHDTSDJ-UHFFFAOYSA-N 0 3 297.402 2.252 20 30 CEEDHN Cc1nccn1CCCCNCc1nc(C#N)cs1 ZINC000352842890 369908751 /nfs/dbraw/zinc/90/87/51/369908751.db2.gz WDCOIVRCNLSMDK-UHFFFAOYSA-N 0 3 275.381 2.090 20 30 CEEDHN C[C@@H](CN1CCC[C@H](C)C1)NCc1nc(C#N)cs1 ZINC000352839205 369906122 /nfs/dbraw/zinc/90/61/22/369906122.db2.gz IVLWISRWAWUWGI-RYUDHWBXSA-N 0 3 278.425 2.225 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCC(C)(C)C#N ZINC000352995971 369975007 /nfs/dbraw/zinc/97/50/07/369975007.db2.gz DKGLHBJJBBTTJK-BETUJISGSA-N 0 3 280.416 2.098 20 30 CEEDHN COCC[C@@H](COC)NCc1ccc(C#N)c(C)c1 ZINC000353063280 370005625 /nfs/dbraw/zinc/00/56/25/370005625.db2.gz SKAJEAZKMLVLBB-HNNXBMFYSA-N 0 3 262.353 2.008 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)NCC(C)(C)CCC#N ZINC000353722351 370123557 /nfs/dbraw/zinc/12/35/57/370123557.db2.gz GGYQFKDGDAAIPG-CYBMUJFWSA-N 0 3 280.416 2.100 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2occc2C)CC1 ZINC000195412838 370128075 /nfs/dbraw/zinc/12/80/75/370128075.db2.gz QPAFQVTWCQNJKL-UHFFFAOYSA-N 0 3 262.353 2.358 20 30 CEEDHN CCN(CCNCc1ccc(C#N)cc1F)C1CC1 ZINC000227596806 370374943 /nfs/dbraw/zinc/37/49/43/370374943.db2.gz CWHZJJNJYXJXCH-UHFFFAOYSA-N 0 3 261.344 2.271 20 30 CEEDHN COc1cc(C(=O)C(C#N)c2ccncn2)cc(OC)c1C ZINC000354469358 370376754 /nfs/dbraw/zinc/37/67/54/370376754.db2.gz QRSFTKGIOAEGHT-GFCCVEGCSA-N 0 3 297.314 2.292 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)c2cc(C#N)ccc2Cl)CCCN1C ZINC000354613203 370434067 /nfs/dbraw/zinc/43/40/67/370434067.db2.gz BQYFAHFUBXEODU-QMTHXVAHSA-N 0 3 291.782 2.424 20 30 CEEDHN C=CC(C)(C)CCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000638454558 370543254 /nfs/dbraw/zinc/54/32/54/370543254.db2.gz IWANBLBINZXGNH-AWEZNQCLSA-N 0 3 260.381 2.275 20 30 CEEDHN COC[C@H]1CCCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000234806279 370544698 /nfs/dbraw/zinc/54/46/98/370544698.db2.gz BEOGWKXQACBDNT-AWEZNQCLSA-N 0 3 274.364 2.425 20 30 CEEDHN C=CCOc1cccc(NC(=O)[C@@H]2CCCCN2)c1 ZINC000236680810 370606996 /nfs/dbraw/zinc/60/69/96/370606996.db2.gz YIPOXMRLOXNVDI-AWEZNQCLSA-N 0 3 260.337 2.332 20 30 CEEDHN C=CCCC1(C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000355617236 370608163 /nfs/dbraw/zinc/60/81/63/370608163.db2.gz CRPOGDTWQIFOPR-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H](OC)[C@@H](C)CC)CC1 ZINC000355660624 370610515 /nfs/dbraw/zinc/61/05/15/370610515.db2.gz NWRJNNWRRLNFFL-DZGCQCFKSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](CC(C)C)C1 ZINC000247618289 371129339 /nfs/dbraw/zinc/12/93/39/371129339.db2.gz NAFASFYKEPEICR-KGLIPLIRSA-N 0 3 295.427 2.145 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCC(C)(C)CCC#N ZINC000358701007 371181685 /nfs/dbraw/zinc/18/16/85/371181685.db2.gz XVTWVSVOLVPRMR-CQSZACIVSA-N 0 3 294.443 2.300 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)C(C)C)CC1 ZINC000358815850 371232888 /nfs/dbraw/zinc/23/28/88/371232888.db2.gz JYXYZAYNWBQBLE-ZDUSSCGKSA-N 0 3 267.417 2.323 20 30 CEEDHN CN(C)C(=O)[C@H](Cc1ccccc1)N[C@H]1CCC[C@@H](C#N)C1 ZINC000248927330 371271488 /nfs/dbraw/zinc/27/14/88/371271488.db2.gz XKABADNVRGXCNT-IKGGRYGDSA-N 0 3 299.418 2.358 20 30 CEEDHN C=CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000251572512 371407661 /nfs/dbraw/zinc/40/76/61/371407661.db2.gz UYFVJJVZUWIDOE-UKRRQHHQSA-N 0 3 273.380 2.307 20 30 CEEDHN C=CCOCCN[C@@H](c1ccncc1)C1(CO)CCC1 ZINC000639880143 371637193 /nfs/dbraw/zinc/63/71/93/371637193.db2.gz SPHGNOOPABBDPY-HNNXBMFYSA-N 0 3 276.380 2.078 20 30 CEEDHN CC#CCCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000361368755 371810574 /nfs/dbraw/zinc/81/05/74/371810574.db2.gz GXAAFYXGEKNUFK-INIZCTEOSA-N 0 3 287.407 2.310 20 30 CEEDHN C=CCCCCCN1CCN(CCO)C(C)(C)C1 ZINC000683787284 541859797 /nfs/dbraw/zinc/85/97/97/541859797.db2.gz YCTMISHURZYQDM-UHFFFAOYSA-N 0 3 254.418 2.121 20 30 CEEDHN CC#CCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000361530873 371902461 /nfs/dbraw/zinc/90/24/61/371902461.db2.gz MIKVMBWKLGPYSP-HZPDHXFCSA-N 0 3 285.391 2.144 20 30 CEEDHN C[C@@H](CN(C)[C@@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000263884543 371953167 /nfs/dbraw/zinc/95/31/67/371953167.db2.gz OFPXWYUBFWZSFE-GJZGRUSLSA-N 0 3 287.407 2.482 20 30 CEEDHN CC[C@@H](C)[C@H](O)CNCc1ccc(C#N)cc1F ZINC000344218882 217104826 /nfs/dbraw/zinc/10/48/26/217104826.db2.gz LALZBEBEZNIAGL-QMTHXVAHSA-N 0 3 250.317 2.194 20 30 CEEDHN CN1CCN(Cc2ccc(C#N)c(F)c2)C(C)(C)C1 ZINC000361861885 372103821 /nfs/dbraw/zinc/10/38/21/372103821.db2.gz IWCUTGFJMPLIEW-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000362010769 372170255 /nfs/dbraw/zinc/17/02/55/372170255.db2.gz PBNLEUJPNAPHPU-XJKSGUPXSA-N 0 3 298.390 2.425 20 30 CEEDHN C=CCCCn1cc(COc2ccccc2CN)nn1 ZINC000640936097 372182143 /nfs/dbraw/zinc/18/21/43/372182143.db2.gz OLXZSLYBPYCDMD-UHFFFAOYSA-N 0 3 272.352 2.282 20 30 CEEDHN C#CCCN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000268724855 372196793 /nfs/dbraw/zinc/19/67/93/372196793.db2.gz PLKCIMLITIHMTP-UHFFFAOYSA-N 0 3 274.339 2.500 20 30 CEEDHN C#CCNC(=O)CCN[C@H](CC)c1cc(F)ccc1F ZINC000268858323 372258273 /nfs/dbraw/zinc/25/82/73/372258273.db2.gz ZZDZJGMFHFAOMA-CQSZACIVSA-N 0 3 280.318 2.145 20 30 CEEDHN C[C@@H](O)C[C@H](C)CNCc1ccc(C#N)cc1F ZINC000269414228 372443795 /nfs/dbraw/zinc/44/37/95/372443795.db2.gz JYYOMSJMOYMMQF-WDEREUQCSA-N 0 3 250.317 2.194 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(C#N)s1 ZINC000362921674 372573232 /nfs/dbraw/zinc/57/32/32/372573232.db2.gz HWJRNOLDQTYNTN-NEPJUHHUSA-N 0 3 291.420 2.470 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccc(F)c(F)c1N(C)C ZINC000641760566 372698423 /nfs/dbraw/zinc/69/84/23/372698423.db2.gz UIPPPQWMAHIATH-LBPRGKRZSA-N 0 3 284.350 2.448 20 30 CEEDHN C#C[C@H](C)NC(=O)NC1CCN(Cc2cccc(C)c2)CC1 ZINC000364306265 372721596 /nfs/dbraw/zinc/72/15/96/372721596.db2.gz DZWBLFOHNPZEFN-HNNXBMFYSA-N 0 3 299.418 2.280 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc(OCC2CC2)cc1 ZINC000641768066 372707672 /nfs/dbraw/zinc/70/76/72/372707672.db2.gz VNQXKVJYODGKBQ-INIZCTEOSA-N 0 3 273.376 2.339 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccnc2ccccc12 ZINC000641769032 372709547 /nfs/dbraw/zinc/70/95/47/372709547.db2.gz OHWPCKGDMUZDJG-AWEZNQCLSA-N 0 3 254.333 2.099 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](CO)CC#CC)cc1 ZINC000641768749 372709614 /nfs/dbraw/zinc/70/96/14/372709614.db2.gz HBEALGQQEOMIDS-OAHLLOKOSA-N 0 3 259.349 2.115 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(OC)c2ccccc12 ZINC000641772084 372715366 /nfs/dbraw/zinc/71/53/66/372715366.db2.gz GVHWEADCYODJBX-CYBMUJFWSA-N 0 3 257.333 2.485 20 30 CEEDHN C#CC[C@@H](NC(=O)N1CCCN(CC)CC1)c1ccccc1 ZINC000270338559 372746768 /nfs/dbraw/zinc/74/67/68/372746768.db2.gz NDTWFIWWSBFWCK-QGZVFWFLSA-N 0 3 299.418 2.488 20 30 CEEDHN C#CC[C@@H](NC(=O)C1CCN(CC#C)CC1)c1ccccc1 ZINC000270545567 372834759 /nfs/dbraw/zinc/83/47/59/372834759.db2.gz YEJUJNXREHUCBK-GOSISDBHSA-N 0 3 294.398 2.212 20 30 CEEDHN C#CCCN(CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000270532084 372829481 /nfs/dbraw/zinc/82/94/81/372829481.db2.gz FTORJLOHLQBMPH-UHFFFAOYSA-N 0 3 258.365 2.234 20 30 CEEDHN C#CCCN1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000270532038 372829704 /nfs/dbraw/zinc/82/97/04/372829704.db2.gz FRUOMAZNJGRKEG-UHFFFAOYSA-N 0 3 270.376 2.166 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc(C#N)c1 ZINC000344640540 217259400 /nfs/dbraw/zinc/25/94/00/217259400.db2.gz IIJWERORQJBQPE-HNNXBMFYSA-N 0 3 285.391 2.408 20 30 CEEDHN CC#CCNC(=O)c1ccc(CN2CCCC2)cc1 ZINC000270604818 372864105 /nfs/dbraw/zinc/86/41/05/372864105.db2.gz FEIXOXVHXULJDL-UHFFFAOYSA-N 0 3 256.349 2.036 20 30 CEEDHN CC[C@H](NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(C#N)cc1 ZINC000365494030 372873897 /nfs/dbraw/zinc/87/38/97/372873897.db2.gz PWLQYHOYKYRBDR-KURKYZTESA-N 0 3 299.418 2.462 20 30 CEEDHN C=CCNC(=O)[C@H](C)N(CC)CCc1cccs1 ZINC000270782163 372949597 /nfs/dbraw/zinc/94/95/97/372949597.db2.gz OZBGVPYFGGVRKX-LBPRGKRZSA-N 0 3 266.410 2.303 20 30 CEEDHN C[C@@H](NC[C@H](CO)C1CC1)c1ccc(C#N)cc1F ZINC000353513405 220128010 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/nfs/dbraw/zinc/23/47/18/373234718.db2.gz LERGEBFDVJYTOY-UHFFFAOYSA-N 0 3 277.412 2.078 20 30 CEEDHN C=CCn1cc(CN[C@H](C)Cc2cccs2)nn1 ZINC000643902245 373299911 /nfs/dbraw/zinc/29/99/11/373299911.db2.gz AHRFIIPAWGGOLA-LLVKDONJSA-N 0 3 262.382 2.246 20 30 CEEDHN C=CCC[C@@H](O)CN1CC[C@H](OCc2csc(C)n2)C1 ZINC000369001848 373311723 /nfs/dbraw/zinc/31/17/23/373311723.db2.gz RFSXNRAHVRHTNP-CABCVRRESA-N 0 3 296.436 2.370 20 30 CEEDHN C=CCC[C@@H](O)CN1CC[C@@H](OCc2csc(C)n2)C1 ZINC000369001850 373312765 /nfs/dbraw/zinc/31/27/65/373312765.db2.gz RFSXNRAHVRHTNP-HUUCEWRRSA-N 0 3 296.436 2.370 20 30 CEEDHN C=CCN(CCc1ccco1)CCn1ccc([N+](=O)[O-])n1 ZINC000272231801 373373481 /nfs/dbraw/zinc/37/34/81/373373481.db2.gz DZMXIXIWTQZDNS-UHFFFAOYSA-N 0 3 290.323 2.115 20 30 CEEDHN CCCN(CCO)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272279054 373403921 /nfs/dbraw/zinc/40/39/21/373403921.db2.gz MMKOVMQHRMSDTL-UHFFFAOYSA-N 0 3 298.390 2.163 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H]([C@@H](C)O)C2)cc1OC ZINC000272477493 373505603 /nfs/dbraw/zinc/50/56/03/373505603.db2.gz BNDWWRCOOYQWDU-UKRRQHHQSA-N 0 3 291.391 2.463 20 30 CEEDHN C[C@@H](NC(=O)/C=C/c1ccccc1C#N)C1=CCN(C)CC1 ZINC000272630860 373593242 /nfs/dbraw/zinc/59/32/42/373593242.db2.gz BIARYASEXLEVSI-HSBSLETESA-N 0 3 295.386 2.338 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(C#N)cc3)[C@@H]2C1 ZINC000272579186 373560515 /nfs/dbraw/zinc/56/05/15/373560515.db2.gz GONFQTVOSBFKND-KGVXHEBISA-N 0 3 295.386 2.124 20 30 CEEDHN CN1C[C@@H]2CCN(CC#Cc3ccccc3Cl)[C@@H]2C1 ZINC000644734735 373639511 /nfs/dbraw/zinc/63/95/11/373639511.db2.gz OSIFTTQRTDAYLQ-GOEBONIOSA-N 0 3 274.795 2.327 20 30 CEEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000272956621 373730551 /nfs/dbraw/zinc/73/05/51/373730551.db2.gz NBEMACPPUNOHDL-UHYGZKCKSA-N 0 3 281.421 2.402 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3cccc(C#N)c3)C[C@@H]21 ZINC000371488890 373899735 /nfs/dbraw/zinc/89/97/35/373899735.db2.gz MENBREOGRUAMMQ-WBXGCANISA-N 0 3 295.386 2.124 20 30 CEEDHN C=CCN(CCc1ccccc1)C[C@@](C)(O)C(=O)OCC ZINC000274246775 373852410 /nfs/dbraw/zinc/85/24/10/373852410.db2.gz XPHXYBRZCDXVHP-QGZVFWFLSA-N 0 3 291.391 2.031 20 30 CEEDHN CN(CCN(C)C1CC1)c1c(F)cc(C#N)cc1F ZINC000274411327 373910961 /nfs/dbraw/zinc/91/09/61/373910961.db2.gz AFETUFLNIJFQFT-UHFFFAOYSA-N 0 3 265.307 2.367 20 30 CEEDHN CC1(C)[C@H](NCc2ccc(C#N)o2)[C@H]2CCCO[C@H]21 ZINC000371799451 373980709 /nfs/dbraw/zinc/98/07/09/373980709.db2.gz OTOVJYVOBIGWIA-MGPQQGTHSA-N 0 3 260.337 2.444 20 30 CEEDHN C=C(C)CCN1CCN(Cc2cccc(O)c2)CC1 ZINC000274777950 374047242 /nfs/dbraw/zinc/04/72/42/374047242.db2.gz JQIVKLWULBKABL-UHFFFAOYSA-N 0 3 260.381 2.476 20 30 CEEDHN C=C(C)CCN[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000274840045 374067634 /nfs/dbraw/zinc/06/76/34/374067634.db2.gz OHNOGZTYEMCQIU-AWEZNQCLSA-N 0 3 267.394 2.328 20 30 CEEDHN C#CCCCN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275068937 374144545 /nfs/dbraw/zinc/14/45/45/374144545.db2.gz UYJOLTKSSLBPRD-UHFFFAOYSA-N 0 3 279.771 2.387 20 30 CEEDHN C#CCN(C)C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000276897513 374338431 /nfs/dbraw/zinc/33/84/31/374338431.db2.gz CVEFCLPCXLIIEU-DOMZBBRYSA-N 0 3 281.783 2.344 20 30 CEEDHN N#Cc1ccc(F)c(CN2CCC[C@H](c3nc[nH]n3)C2)c1 ZINC000374053434 374475643 /nfs/dbraw/zinc/47/56/43/374475643.db2.gz JDESZQKJSVDOQP-LBPRGKRZSA-N 0 3 285.326 2.195 20 30 CEEDHN C=CCCN1CCC[C@@H](c2n[nH]cc2NC(C)=O)C1 ZINC000374788365 374631342 /nfs/dbraw/zinc/63/13/42/374631342.db2.gz NYDIPZSXHRRTPN-GFCCVEGCSA-N 0 3 262.357 2.124 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](OC)CC1 ZINC000374645120 374622879 /nfs/dbraw/zinc/62/28/79/374622879.db2.gz IHIKDNZLDYCZEN-HUUCEWRRSA-N 0 3 282.428 2.300 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC2(CCOCC2)[C@@H]1C ZINC000375238414 374647326 /nfs/dbraw/zinc/64/73/26/374647326.db2.gz QUXCUKGCUAQVLX-HNNXBMFYSA-N 0 3 294.439 2.302 20 30 CEEDHN C[C@H]1COCCN(CCCC2(C#N)CCOCC2)C1 ZINC000375606022 374664601 /nfs/dbraw/zinc/66/46/01/374664601.db2.gz GGAHQNZVEBQDBD-CQSZACIVSA-N 0 3 266.385 2.055 20 30 CEEDHN CC[C@@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc(C#N)cc1 ZINC000377085323 374787557 /nfs/dbraw/zinc/78/75/57/374787557.db2.gz YEOQHMXDKBNKIW-QZTJIDSGSA-N 0 3 299.418 2.462 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cccc(OC)c1[O-] ZINC000280580049 375250530 /nfs/dbraw/zinc/25/05/30/375250530.db2.gz HLDRADQQXYWGNF-XJKSGUPXSA-N 0 3 277.364 2.472 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ccn(C(C)C)n2)CC1 ZINC000280457596 375210037 /nfs/dbraw/zinc/21/00/37/375210037.db2.gz HSAZAEJSJWZUQU-UHFFFAOYSA-N 0 3 291.399 2.236 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@@H](CC(C)C)N(C)C ZINC000280736088 375302916 /nfs/dbraw/zinc/30/29/16/375302916.db2.gz WIISJOQHQKJJCI-GFCCVEGCSA-N 0 3 277.368 2.166 20 30 CEEDHN Cc1nc(NCCN(C)Cc2ccccc2)ccc1C#N ZINC000386688898 375263648 /nfs/dbraw/zinc/26/36/48/375263648.db2.gz JZNIIBSLYFNHBR-UHFFFAOYSA-N 0 3 280.375 2.228 20 30 CEEDHN C[C@H](C#N)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000397978824 375344609 /nfs/dbraw/zinc/34/46/09/375344609.db2.gz GTOHQSSOWHCENW-RHSMWYFYSA-N 0 3 285.391 2.317 20 30 CEEDHN CC[C@]1(CO)CCCN1Cc1ccc(C#N)c(OC)c1 ZINC000282318462 375456154 /nfs/dbraw/zinc/45/61/54/375456154.db2.gz NLMPZLXZQYEJBT-MRXNPFEDSA-N 0 3 274.364 2.304 20 30 CEEDHN CC(C)(C#N)CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000408356601 375461546 /nfs/dbraw/zinc/46/15/46/375461546.db2.gz FTLJZHNOJOLKKT-CQSZACIVSA-N 0 3 277.412 2.449 20 30 CEEDHN C[C@@H]1CN(CCCCNc2ccnc(C#N)c2)C[C@H](C)O1 ZINC000283750176 375755888 /nfs/dbraw/zinc/75/58/88/375755888.db2.gz KUVUADOHDMOZSO-OKILXGFUSA-N 0 3 288.395 2.255 20 30 CEEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(-n2cnnn2)cc1 ZINC000414173353 375800909 /nfs/dbraw/zinc/80/09/09/375800909.db2.gz WWKPEGKALACHFF-LBPRGKRZSA-N 0 3 284.367 2.253 20 30 CEEDHN C=CC[C@H](Cc1ccccc1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000414310012 375829726 /nfs/dbraw/zinc/82/97/26/375829726.db2.gz VOVIBBDGDPSWOI-HZPDHXFCSA-N 0 3 293.432 2.341 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N[C@@H]1CNCCC1(F)F ZINC000417993924 376225412 /nfs/dbraw/zinc/22/54/12/376225412.db2.gz YGMGGLLAVRCCSL-WDEREUQCSA-N 0 3 275.343 2.028 20 30 CEEDHN COc1cc(CNCCc2nnc(C)s2)ccc1C#N ZINC000289717475 376459953 /nfs/dbraw/zinc/45/99/53/376459953.db2.gz FKGNOOONSZWRDS-UHFFFAOYSA-N 0 3 288.376 2.059 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCCC[C@@H]1CCO ZINC000305737938 376465199 /nfs/dbraw/zinc/46/51/99/376465199.db2.gz QLWCONHKZTVMQV-OAHLLOKOSA-N 0 3 274.364 2.304 20 30 CEEDHN N#Cc1ccnc(N[C@H]2CCN(C3CCCC3)C2)c1Cl ZINC000557582554 376566756 /nfs/dbraw/zinc/56/67/56/376566756.db2.gz CGYIGIPXBDLPAC-LBPRGKRZSA-N 0 3 290.798 2.457 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCC(=O)NCC1CC1 ZINC000558794567 376644769 /nfs/dbraw/zinc/64/47/69/376644769.db2.gz FEEBUYGAOPGNIT-QGZVFWFLSA-N 0 3 297.402 2.442 20 30 CEEDHN N#Cc1ccc(CC(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000264475554 190112417 /nfs/dbraw/zinc/11/24/17/190112417.db2.gz HACFBPRGTFJWQO-KRWDZBQOSA-N 0 3 297.402 2.188 20 30 CEEDHN C=C(C)CN1CCC(Nc2nnc(C)c(C)c2C#N)CC1 ZINC000264517397 190115080 /nfs/dbraw/zinc/11/50/80/190115080.db2.gz VNINEARJZMTGOU-UHFFFAOYSA-N 0 3 285.395 2.418 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2c(F)cc(C#N)cc2F)CCN1C ZINC000313917629 376758821 /nfs/dbraw/zinc/75/88/21/376758821.db2.gz AGKNGLBMDAIKLQ-MWLCHTKSSA-N 0 3 293.317 2.049 20 30 CEEDHN Cc1ncoc1C(=O)NC[C@H]1CCCN1CC(C)C ZINC000328641716 376869016 /nfs/dbraw/zinc/86/90/16/376869016.db2.gz DIBLDSNYEHTMSI-GFCCVEGCSA-N 0 3 265.357 2.408 20 30 CEEDHN Cc1ccc(N(C)C2CCN([C@H]3CC[C@H](C#N)C3)CC2)nn1 ZINC000328718349 376885176 /nfs/dbraw/zinc/88/51/76/376885176.db2.gz FTZFMAYXYKEYDC-HOCLYGCPSA-N 0 3 299.422 2.378 20 30 CEEDHN C[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)c1nncn1C ZINC000328955080 376927369 /nfs/dbraw/zinc/92/73/69/376927369.db2.gz IRMISLLNWBNCJN-AAEUAGOBSA-N 0 3 291.399 2.240 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329114546 376931986 /nfs/dbraw/zinc/93/19/86/376931986.db2.gz MAAFVWUMCIAOQM-HLPPOEQASA-N 0 3 296.411 2.154 20 30 CEEDHN C=CCSCCNCc1cn(C)nc1C(F)F ZINC000291014345 377030190 /nfs/dbraw/zinc/03/01/90/377030190.db2.gz ADAPPCLVRKHECY-UHFFFAOYSA-N 0 3 261.341 2.367 20 30 CEEDHN C[C@H](NC(=O)[C@@H]1CC(=O)N[C@H](C)C1)C1=CCN(C)CC1 ZINC000329667529 376985645 /nfs/dbraw/zinc/98/56/45/376985645.db2.gz LNGCFBORCWCECL-MDZLAQPJSA-N 0 3 279.384 2.348 20 30 CEEDHN COCc1ncsc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000330467698 377149869 /nfs/dbraw/zinc/14/98/69/377149869.db2.gz JKXLGAINVOFYES-NXEZZACHSA-N 0 3 283.397 2.077 20 30 CEEDHN C=CCNC(=O)NC(=O)CN(C)C1CCC(CC)CC1 ZINC000330607709 377196996 /nfs/dbraw/zinc/19/69/96/377196996.db2.gz KCQDGPHFZIUHLR-UHFFFAOYSA-N 0 3 281.400 2.103 20 30 CEEDHN C[C@@H](C(=O)NCCc1cccc(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000330538618 377176874 /nfs/dbraw/zinc/17/68/74/377176874.db2.gz QOXLZOGAOULLHZ-KFWWJZLASA-N 0 3 299.418 2.478 20 30 CEEDHN C#CCN(C)CCCNc1ccc(OC(F)F)cn1 ZINC000292875431 377327280 /nfs/dbraw/zinc/32/72/80/377327280.db2.gz UEDZHNVXICNTRG-UHFFFAOYSA-N 0 3 269.295 2.050 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425067527 377328508 /nfs/dbraw/zinc/32/85/08/377328508.db2.gz RRAARHNFFQNHGJ-GUTXKFCHSA-N 0 3 250.386 2.141 20 30 CEEDHN CC[C@H]1[C@H](C)CCN1CC(=O)NCc1cccc(C#N)c1 ZINC000331137258 377299022 /nfs/dbraw/zinc/29/90/22/377299022.db2.gz SFDQKCUMMNHGKF-CJNGLKHVSA-N 0 3 285.391 2.295 20 30 CEEDHN C#CCCOc1ccc(CN2CC[C@H](O)C[C@@H]2C)cc1 ZINC000292831771 377302220 /nfs/dbraw/zinc/30/22/20/377302220.db2.gz RGXDJIJQWNIQNQ-HOCLYGCPSA-N 0 3 273.376 2.434 20 30 CEEDHN C[C@]1(CO)CCC[C@H]1NCc1ccc(F)c(C#N)c1 ZINC000331149242 377302495 /nfs/dbraw/zinc/30/24/95/377302495.db2.gz HXZIDIMCQGZXAQ-HUUCEWRRSA-N 0 3 262.328 2.338 20 30 CEEDHN Cc1cc(CN2CCC(Cn3ccnn3)CC2)ccc1C#N ZINC000331149014 377303541 /nfs/dbraw/zinc/30/35/41/377303541.db2.gz ZHQGELMCDJMDFI-UHFFFAOYSA-N 0 3 295.390 2.370 20 30 CEEDHN CCOCC(C)(C)NCc1ccc(C#N)c(OC)c1 ZINC000292966857 377374671 /nfs/dbraw/zinc/37/46/71/377374671.db2.gz LZRPRRKQWYLSHC-UHFFFAOYSA-N 0 3 262.353 2.472 20 30 CEEDHN C[C@H](CNc1ccc(C#N)c(Cl)c1)N1CCN(C)CC1 ZINC000264928752 190145302 /nfs/dbraw/zinc/14/53/02/190145302.db2.gz OJXCONYUCJJAOE-GFCCVEGCSA-N 0 3 292.814 2.259 20 30 CEEDHN C#CCNC(=O)CCN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000292920994 377352157 /nfs/dbraw/zinc/35/21/57/377352157.db2.gz YBMNMMVWDPKUCE-KBPBESRZSA-N 0 3 274.364 2.192 20 30 CEEDHN COc1cc(CNC[C@@]2(O)CCC[C@@H]2C)ccc1C#N ZINC000293039017 377403816 /nfs/dbraw/zinc/40/38/16/377403816.db2.gz QNCUQHXIVJEWNQ-LRDDRELGSA-N 0 3 274.364 2.208 20 30 CEEDHN CC(C)(C)[C@@](C)(C#N)NC(=O)C1CCN(C2CC2)CC1 ZINC000331401615 377412362 /nfs/dbraw/zinc/41/23/62/377412362.db2.gz ACJYQHAGVRZVJT-MRXNPFEDSA-N 0 3 277.412 2.305 20 30 CEEDHN CC/C=C\CNC[C@H](O)COc1ccc(CC#N)cc1 ZINC000564860445 377482008 /nfs/dbraw/zinc/48/20/08/377482008.db2.gz RBVVKRZTDDENGS-JZIMQPMSSA-N 0 3 274.364 2.048 20 30 CEEDHN C[C@H](CNC(=O)c1ccc(C#N)o1)N1CCCC[C@H]1C ZINC000428167281 377483518 /nfs/dbraw/zinc/48/35/18/377483518.db2.gz VDDGIQYRZSCCKG-VXGBXAGGSA-N 0 3 275.352 2.144 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCSCC[C@@H]1C ZINC000429767108 377521557 /nfs/dbraw/zinc/52/15/57/377521557.db2.gz NJYGPYASSGEQBH-ZDUSSCGKSA-N 0 3 270.442 2.238 20 30 CEEDHN C#CCCNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000265104574 190158490 /nfs/dbraw/zinc/15/84/90/190158490.db2.gz XYNXVHPGCVKCOR-UHFFFAOYSA-N 0 3 287.407 2.303 20 30 CEEDHN C[C@@H](N[C@@H](CO)CC(F)F)c1ccc(C#N)cc1 ZINC000429463121 377514471 /nfs/dbraw/zinc/51/44/71/377514471.db2.gz SKQWFGSKSUBXKP-BXKDBHETSA-N 0 3 254.280 2.225 20 30 CEEDHN CC(C)(C)[C@H](CCO)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565043884 377542473 /nfs/dbraw/zinc/54/24/73/377542473.db2.gz JLCFBNLBSADHPM-AWEZNQCLSA-N 0 3 291.351 2.353 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000432095894 377714282 /nfs/dbraw/zinc/71/42/82/377714282.db2.gz IOWOLIIPCWLWIF-LBPRGKRZSA-N 0 3 265.401 2.125 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000433130709 377779220 /nfs/dbraw/zinc/77/92/20/377779220.db2.gz SJXNIRCPOZOILF-CABCVRRESA-N 0 3 272.348 2.054 20 30 CEEDHN CN(C)Cc1ccccc1NC(=O)c1cc(C#N)c[nH]1 ZINC000566713465 377765474 /nfs/dbraw/zinc/76/54/74/377765474.db2.gz CPQVREOIGQKLMN-UHFFFAOYSA-N 0 3 268.320 2.200 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)c2cscc2C#N)C1 ZINC000432708460 377775841 /nfs/dbraw/zinc/77/58/41/377775841.db2.gz PFGHGLGLPBJFIA-NSHDSACASA-N 0 3 277.393 2.081 20 30 CEEDHN C[C@@H](C(=O)NCC1(CC#N)CC1)N1[C@H](C)CC[C@@H]1C ZINC000435959347 377814607 /nfs/dbraw/zinc/81/46/07/377814607.db2.gz QENJMUKUQFAYAZ-XQQFMLRXSA-N 0 3 263.385 2.058 20 30 CEEDHN CC(C)(C)C(=O)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433372731 377791151 /nfs/dbraw/zinc/79/11/51/377791151.db2.gz AZCJIRJOGILQRJ-CQSZACIVSA-N 0 3 286.375 2.490 20 30 CEEDHN C=CCSCCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433608444 377791940 /nfs/dbraw/zinc/79/19/40/377791940.db2.gz KOUNEBGPUIUIAO-AWEZNQCLSA-N 0 3 297.468 2.222 20 30 CEEDHN CN1CCC[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 ZINC000293863099 377794656 /nfs/dbraw/zinc/79/46/56/377794656.db2.gz DUGAFCHJUXJLFP-KRWDZBQOSA-N 0 3 283.375 2.116 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000434439363 377797061 /nfs/dbraw/zinc/79/70/61/377797061.db2.gz PIZUBIWVSOWRBV-MGPQQGTHSA-N 0 3 277.412 2.400 20 30 CEEDHN CC(C)[C@]1(CO)CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000294007516 377868045 /nfs/dbraw/zinc/86/80/45/377868045.db2.gz MQMXMNNVDHZKQH-MRXNPFEDSA-N 0 3 275.396 2.127 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000437617262 377854297 /nfs/dbraw/zinc/85/42/97/377854297.db2.gz VQPYXYWYIWBHNZ-HOCLYGCPSA-N 0 3 282.428 2.206 20 30 CEEDHN CSCCCN(C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000439466430 377926175 /nfs/dbraw/zinc/92/61/75/377926175.db2.gz HFPMZHSKFTVEHO-JSGCOSHPSA-N 0 3 285.457 2.114 20 30 CEEDHN C[C@@H](C#N)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000438714140 377911060 /nfs/dbraw/zinc/91/10/60/377911060.db2.gz TZFNQIXTNMNDHN-AWEZNQCLSA-N 0 3 285.391 2.269 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@@H](CO)Cc2ccc(F)cc2)C1 ZINC000442820752 378004702 /nfs/dbraw/zinc/00/47/02/378004702.db2.gz AHBPXUUPPKFJNP-VHDGCEQUSA-N 0 3 262.328 2.011 20 30 CEEDHN C[C@H](N(C)Cc1cc(C#N)ccc1F)C(C)(C)O ZINC000295231703 378061592 /nfs/dbraw/zinc/06/15/92/378061592.db2.gz WZPRLOAPDFRJFZ-JTQLQIEISA-N 0 3 250.317 2.289 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](C(C)C)C1 ZINC000444771870 378080628 /nfs/dbraw/zinc/08/06/28/378080628.db2.gz LIWJQPHIEWGXIB-CABCVRRESA-N 0 3 279.428 2.363 20 30 CEEDHN C#CCN(C)CCCN[C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000294857832 378023826 /nfs/dbraw/zinc/02/38/26/378023826.db2.gz BTFMSKRUTLNLRF-LBPRGKRZSA-N 0 3 295.814 2.349 20 30 CEEDHN C=C(C)CCN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000449479969 378213680 /nfs/dbraw/zinc/21/36/80/378213680.db2.gz WWNFQZZYDKDPHS-ZDUSSCGKSA-N 0 3 267.394 2.405 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000449518710 378215429 /nfs/dbraw/zinc/21/54/29/378215429.db2.gz KNJJSRUDUNKBCA-KGLIPLIRSA-N 0 3 262.309 2.336 20 30 CEEDHN C=CCCCNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000447963416 378166361 /nfs/dbraw/zinc/16/63/61/378166361.db2.gz JUXKBSZBFFXRRW-CQSZACIVSA-N 0 3 267.417 2.372 20 30 CEEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@]2(C#N)C[C@@H]2C)C1 ZINC000448772442 378184510 /nfs/dbraw/zinc/18/45/10/378184510.db2.gz DPHNEDDGOXBETN-JSSFPYSZSA-N 0 3 297.402 2.488 20 30 CEEDHN C[C@@H](CO)[C@H](C)NCc1ccc(Br)cc1C#N ZINC000295723280 378278620 /nfs/dbraw/zinc/27/86/20/378278620.db2.gz LFUJFTLVPDWNKY-UWVGGRQHSA-N 0 3 297.196 2.427 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccc(CC)n2)CC1 ZINC000449845335 378236919 /nfs/dbraw/zinc/23/69/19/378236919.db2.gz OYVPYMUJSWTABS-UHFFFAOYSA-N 0 3 273.380 2.024 20 30 CEEDHN C[C@@H](CO)[C@H](C)NCc1ccc(C#N)cc1Br ZINC000295821523 378317802 /nfs/dbraw/zinc/31/78/02/378317802.db2.gz VGKHKSJQQIXMTL-UWVGGRQHSA-N 0 3 297.196 2.427 20 30 CEEDHN C[C@@H](c1ccccc1)[C@H](O)CN1CCC(C#N)CC1 ZINC000450317363 378352171 /nfs/dbraw/zinc/35/21/71/378352171.db2.gz KCUQYPNNRNPCGW-XJKSGUPXSA-N 0 3 258.365 2.387 20 30 CEEDHN CC(C)N1CCC(Nc2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000296218485 378456486 /nfs/dbraw/zinc/45/64/86/378456486.db2.gz CZWYFEIERGUUJB-UHFFFAOYSA-N 0 3 289.339 2.146 20 30 CEEDHN C=C(C)CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000450773276 378571380 /nfs/dbraw/zinc/57/13/80/378571380.db2.gz AWOAOYHCBFVOMY-AWEZNQCLSA-N 0 3 250.386 2.476 20 30 CEEDHN C[C@H](CNc1ncc(Br)cc1C#N)N(C)C ZINC000296610460 378592008 /nfs/dbraw/zinc/59/20/08/378592008.db2.gz UDDNYBRBOXKZTB-MRVPVSSYSA-N 0 3 283.173 2.078 20 30 CEEDHN CC(C)COC[C@@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000298341989 378698704 /nfs/dbraw/zinc/69/87/04/378698704.db2.gz SRRVTTOCMCBYSB-INIZCTEOSA-N 0 3 276.380 2.024 20 30 CEEDHN C#Cc1ccc(CNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000297757838 378689762 /nfs/dbraw/zinc/68/97/62/378689762.db2.gz VNNWWWKXWFVTFV-WMLDXEAASA-N 0 3 299.418 2.292 20 30 CEEDHN C[C@@](O)(CNCc1ccc(C#N)o1)c1cccs1 ZINC000266158503 190235761 /nfs/dbraw/zinc/23/57/61/190235761.db2.gz MRRLYZSHTQNXER-CYBMUJFWSA-N 0 3 262.334 2.210 20 30 CEEDHN CC[C@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000298489777 378741694 /nfs/dbraw/zinc/74/16/94/378741694.db2.gz XNGUICAPQHPVGB-AWEZNQCLSA-N 0 3 285.391 2.296 20 30 CEEDHN C[C@@H](NCCc1cccc(C#N)c1)c1ccncn1 ZINC000453211060 378830952 /nfs/dbraw/zinc/83/09/52/378830952.db2.gz KSBGNYXTNBEJGZ-GFCCVEGCSA-N 0 3 252.321 2.242 20 30 CEEDHN N#Cc1ccc(CN[C@H](CO)Cc2ccc(F)cc2)cc1 ZINC000346803564 218018983 /nfs/dbraw/zinc/01/89/83/218018983.db2.gz KOXDQKZZKTWEOX-KRWDZBQOSA-N 0 3 284.334 2.391 20 30 CEEDHN Cc1nnc(NCCN2CCCC[C@H]2C)c(C#N)c1C ZINC000298727202 378815906 /nfs/dbraw/zinc/81/59/06/378815906.db2.gz QSYBWEQYTNZDCW-LLVKDONJSA-N 0 3 273.384 2.251 20 30 CEEDHN Cc1cc(C)c(C#N)c(N2CC[C@H](N3CC=CC3)C2)n1 ZINC000266287773 190245813 /nfs/dbraw/zinc/24/58/13/190245813.db2.gz VYVFQRQISSJIBL-AWEZNQCLSA-N 0 3 268.364 2.021 20 30 CEEDHN Cc1nnc(NC(=O)C(C#N)c2nc(C)c(C)s2)s1 ZINC000505450184 379078231 /nfs/dbraw/zinc/07/82/31/379078231.db2.gz ZDOPZNXNEHLXHR-MRVPVSSYSA-N 0 3 293.377 2.166 20 30 CEEDHN CC1(C)C[C@@H](NCc2nc(C#N)cs2)CCO1 ZINC000352834746 220265103 /nfs/dbraw/zinc/26/51/03/220265103.db2.gz IXEYOKWSCCQVBL-VIFPVBQESA-N 0 3 251.355 2.062 20 30 CEEDHN N#CCC1CCN(CCO[C@@H]2CCCCO2)CC1 ZINC000516238820 379268072 /nfs/dbraw/zinc/26/80/72/379268072.db2.gz ZAZYVSSYHOELLI-CQSZACIVSA-N 0 3 252.358 2.155 20 30 CEEDHN C[C@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C[C@H]1C ZINC000347588909 218282543 /nfs/dbraw/zinc/28/25/43/218282543.db2.gz KRVVSLSWKITYHF-UONOGXRCSA-N 0 3 285.391 2.152 20 30 CEEDHN Cc1ccc(NCCN2CCC(C)CC2)nc1C#N ZINC000302615293 379406984 /nfs/dbraw/zinc/40/69/84/379406984.db2.gz FSWAHMWUZCFMHO-UHFFFAOYSA-N 0 3 258.369 2.406 20 30 CEEDHN CCN1C[C@@H](C)N(CCOc2ccccc2C#N)[C@@H](C)C1 ZINC000347709185 218329475 /nfs/dbraw/zinc/32/94/75/218329475.db2.gz SZAJHGMQXIXDTO-GASCZTMLSA-N 0 3 287.407 2.352 20 30 CEEDHN C#CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000267339299 190322365 /nfs/dbraw/zinc/32/23/65/190322365.db2.gz GMYSHTWILHMOTR-NVXWUHKLSA-N 0 3 299.418 2.220 20 30 CEEDHN CC[C@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528399610 379957360 /nfs/dbraw/zinc/95/73/60/379957360.db2.gz ITCFFUVWDUZUIY-AWEZNQCLSA-N 0 3 296.370 2.018 20 30 CEEDHN CCC(C#N)(CC)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000528653117 380042004 /nfs/dbraw/zinc/04/20/04/380042004.db2.gz VRSWUJDIEWMEPC-OLZOCXBDSA-N 0 3 265.401 2.257 20 30 CEEDHN CC(C)(C#N)CCCN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528789079 380099155 /nfs/dbraw/zinc/09/91/55/380099155.db2.gz SHJXNMQORZISAV-VBHSOAQHSA-N 0 3 268.426 2.302 20 30 CEEDHN C=CCC(CC=C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000268182839 190383882 /nfs/dbraw/zinc/38/38/82/190383882.db2.gz LNCJGGBLYVLDDQ-GFCCVEGCSA-N 0 3 250.386 2.354 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530027660 380192870 /nfs/dbraw/zinc/19/28/70/380192870.db2.gz MTZHXSUTKSCDNY-DZGCQCFKSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@H]1CCC[C@@](C#N)(NC(=O)CC2CCN(C)CC2)C1 ZINC000334151489 380244848 /nfs/dbraw/zinc/24/48/48/380244848.db2.gz KULWHJGYWZCPKG-XJKSGUPXSA-N 0 3 277.412 2.307 20 30 CEEDHN C=CCNC(=O)CN[C@@H](CC1CC1)c1ccccc1 ZINC000538577736 380245997 /nfs/dbraw/zinc/24/59/97/380245997.db2.gz DCBDSCNAGDXBQI-HNNXBMFYSA-N 0 3 258.365 2.420 20 30 CEEDHN N#CCc1ccnc(NC(=O)[C@H]2CCCN2C2CCCC2)c1 ZINC000533376830 380217882 /nfs/dbraw/zinc/21/78/82/380217882.db2.gz XFSDRHHYLCHBBC-OAHLLOKOSA-N 0 3 298.390 2.493 20 30 CEEDHN CC(C#N)C(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000536622163 380226873 /nfs/dbraw/zinc/22/68/73/380226873.db2.gz AAUZNONPEKFNCF-LDYMZIIASA-N 0 3 286.253 2.015 20 30 CEEDHN C#Cc1ccc(CN[C@H]2CCN(c3ccccn3)C2)cc1 ZINC000279072038 194271908 /nfs/dbraw/zinc/27/19/08/194271908.db2.gz RTIDZDZPAJGONB-KRWDZBQOSA-N 0 3 277.371 2.431 20 30 CEEDHN CC(=O)Nc1cc(C(=O)C(C#N)c2ccncn2)ccc1C ZINC000545446709 380390435 /nfs/dbraw/zinc/39/04/35/380390435.db2.gz QMCKCOLPXLHWTM-CYBMUJFWSA-N 0 3 294.314 2.234 20 30 CEEDHN N#CCC1CCN(C[C@H](O)COc2ccccc2F)CC1 ZINC000543809061 380347129 /nfs/dbraw/zinc/34/71/29/380347129.db2.gz GLBZIVXYTJOIJA-AWEZNQCLSA-N 0 3 292.354 2.191 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000334393655 380348920 /nfs/dbraw/zinc/34/89/20/380348920.db2.gz BBNYVCURKQXUNC-DZGCQCFKSA-N 0 3 263.385 2.013 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000334511425 380511620 /nfs/dbraw/zinc/51/16/20/380511620.db2.gz IHIZPNKRFSIEPR-KGLIPLIRSA-N 0 3 279.428 2.324 20 30 CEEDHN C[C@H](NC(=O)/C=C\c1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000492451236 380560402 /nfs/dbraw/zinc/56/04/02/380560402.db2.gz WXWXCIXIHJOURP-DANTVBBOSA-N 0 3 295.386 2.338 20 30 CEEDHN C[C@]1(CO)CCC[C@H]1NCC#Cc1ccc(F)cc1 ZINC000493710017 381142003 /nfs/dbraw/zinc/14/20/03/381142003.db2.gz RRCASGPGLSHPFE-HZPDHXFCSA-N 0 3 261.340 2.318 20 30 CEEDHN C[C@H](N[C@]1(C)CCO[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000494255578 381156090 /nfs/dbraw/zinc/15/60/90/381156090.db2.gz BPKCTWGHEDZSPT-MQIPJXDCSA-N 0 3 287.363 2.042 20 30 CEEDHN C=CC[C@@H](CO)CN[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000495071123 381165662 /nfs/dbraw/zinc/16/56/62/381165662.db2.gz WUOGLZIMIHCFBF-OCCSQVGLSA-N 0 3 278.400 2.200 20 30 CEEDHN CC(C#N)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC000495418558 381173059 /nfs/dbraw/zinc/17/30/59/381173059.db2.gz 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/nfs/dbraw/zinc/12/38/40/131123840.db2.gz XZTAJLXDIWOCMU-MGPQQGTHSA-N 0 3 285.391 2.436 20 30 CEEDHN COCCN(Cc1ccc(C#N)cc1)[C@H]1CCO[C@H]1C ZINC000355693095 394503440 /nfs/dbraw/zinc/50/34/40/394503440.db2.gz SUDWJYFYECTMTI-BBRMVZONSA-N 0 3 274.364 2.184 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1=CCC1 ZINC000355706533 394509330 /nfs/dbraw/zinc/50/93/30/394509330.db2.gz ULVOXHHBLDXISZ-UHFFFAOYSA-N 0 3 283.375 2.169 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1)n1cccn1 ZINC000329009285 394559915 /nfs/dbraw/zinc/55/99/15/394559915.db2.gz ZZSYCKGZHJRAHL-FVQBIDKESA-N 0 3 298.390 2.498 20 30 CEEDHN CSC[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1 ZINC000329538689 394571032 /nfs/dbraw/zinc/57/10/32/394571032.db2.gz CCAOFLABENUOFA-MNOVXSKESA-N 0 3 294.424 2.008 20 30 CEEDHN CSC[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1 ZINC000329538689 394571038 /nfs/dbraw/zinc/57/10/38/394571038.db2.gz CCAOFLABENUOFA-MNOVXSKESA-N 0 3 294.424 2.008 20 30 CEEDHN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H](C1CC1)N1CCCC1 ZINC000329574641 394573937 /nfs/dbraw/zinc/57/39/37/394573937.db2.gz NVPRIENCBXFVLP-DOMZBBRYSA-N 0 3 288.395 2.098 20 30 CEEDHN O=C(N[C@@H]1CCc2[nH]cnc2C1)[C@H](C1CC1)N1CCCC1 ZINC000329574641 394573943 /nfs/dbraw/zinc/57/39/43/394573943.db2.gz NVPRIENCBXFVLP-DOMZBBRYSA-N 0 3 288.395 2.098 20 30 CEEDHN CC1(C)[C@H](NCC(=O)NC2CCCC2)[C@@H]2CCO[C@@H]21 ZINC000329600555 394575444 /nfs/dbraw/zinc/57/54/44/394575444.db2.gz XGGCDBIEYWQCKA-YUTCNCBUSA-N 0 3 266.385 2.289 20 30 CEEDHN Cc1nc(C2CC2)oc1C(=O)NC1CCN(C)CC1 ZINC000329776644 394584643 /nfs/dbraw/zinc/58/46/43/394584643.db2.gz KATNJZQGDOCXOL-UHFFFAOYSA-N 0 3 263.341 2.259 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CC1(O)CCCC1 ZINC000329825782 394588291 /nfs/dbraw/zinc/58/82/91/394588291.db2.gz IJBKGJWTJIMMCJ-YPMHNXCESA-N 0 3 266.385 2.121 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CCc2c[nH]nc2C1)N1CCCCCC1 ZINC000329841560 394589056 /nfs/dbraw/zinc/58/90/56/394589056.db2.gz KDLFPFIKRBOOAY-TZMCWYRMSA-N 0 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20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@H]2CCO[C@H](CC)C2)CC1 ZINC000358984793 394736324 /nfs/dbraw/zinc/73/63/24/394736324.db2.gz OVKLTSLGHYBTEC-GOEBONIOSA-N 0 3 294.439 2.348 20 30 CEEDHN CC#CCCNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000359138718 394742223 /nfs/dbraw/zinc/74/22/23/394742223.db2.gz BMDXUNANRURMJF-OAHLLOKOSA-N 0 3 287.407 2.220 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000335149459 394743746 /nfs/dbraw/zinc/74/37/46/394743746.db2.gz QTNYTBRCVYPWCW-WCQYABFASA-N 0 3 275.327 2.070 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000334316287 394674146 /nfs/dbraw/zinc/67/41/46/394674146.db2.gz SGQGPOUBCBIWSI-HUUCEWRRSA-N 0 3 250.386 2.143 20 30 CEEDHN CC(C)(C#N)CCCN(CCO)Cc1cccnc1 ZINC000268722777 394698630 /nfs/dbraw/zinc/69/86/30/394698630.db2.gz WEWUUUULLBQMAQ-UHFFFAOYSA-N 0 3 261.369 2.206 20 30 CEEDHN COc1ccc(CN[C@@H]2CCCc3cn[nH]c32)cc1C#N ZINC000268856898 394701008 /nfs/dbraw/zinc/70/10/08/394701008.db2.gz RBWCICIKNRJVOH-CQSZACIVSA-N 0 3 282.347 2.457 20 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CC(C)N1CC[C@@H](N(C)C(=O)C2(C#N)CCCC2)C1 ZINC000335577496 394777000 /nfs/dbraw/zinc/77/70/00/394777000.db2.gz DZLFWIWDAATECZ-CYBMUJFWSA-N 0 3 263.385 2.011 20 30 CEEDHN C#CCCCCC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000120295594 394777552 /nfs/dbraw/zinc/77/75/52/394777552.db2.gz TZXMDFHJGTYDSY-CABCVRRESA-N 0 3 262.397 2.123 20 30 CEEDHN C#CCN(C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)C1CC1 ZINC000274121252 394792155 /nfs/dbraw/zinc/79/21/55/394792155.db2.gz MYCZSVCIQROTKV-DLBZAZTESA-N 0 3 297.402 2.239 20 30 CEEDHN C#CCN(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)C1CC1 ZINC000274121261 394792294 /nfs/dbraw/zinc/79/22/94/394792294.db2.gz MYCZSVCIQROTKV-SJORKVTESA-N 0 3 297.402 2.239 20 30 CEEDHN COc1ccc([C@H](C)NC(=O)C(C)C#N)c(C)c1OC ZINC000360561175 394802951 /nfs/dbraw/zinc/80/29/51/394802951.db2.gz NMMCCRRSLJUCFY-ONGXEEELSA-N 0 3 276.336 2.349 20 30 CEEDHN CC[C@H](N[C@H](C)C(=O)N(C)CC)c1ccc(C#N)cc1 ZINC000278677884 394832535 /nfs/dbraw/zinc/83/25/35/394832535.db2.gz JPQJEZKNKRURQY-DOMZBBRYSA-N 0 3 273.380 2.466 20 30 CEEDHN C[C@H](C#N)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000125040467 394841592 /nfs/dbraw/zinc/84/15/92/394841592.db2.gz DNKZNYMBFLSLON-OCCSQVGLSA-N 0 3 289.354 2.066 20 30 CEEDHN N#Cc1ccccc1CN1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000125397386 394842704 /nfs/dbraw/zinc/84/27/04/394842704.db2.gz FGMXJQUGOXDDNH-HZPDHXFCSA-N 0 3 283.375 2.049 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2CCCCCC[C@H]21 ZINC000362221246 394850125 /nfs/dbraw/zinc/85/01/25/394850125.db2.gz ORIMHMKTNFZWND-MELADBBJSA-N 0 3 293.411 2.041 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000362244682 394850846 /nfs/dbraw/zinc/85/08/46/394850846.db2.gz DIBQJGVOEHDPPZ-KGLIPLIRSA-N 0 3 283.412 2.367 20 30 CEEDHN CCSCC[C@@H](C)N(C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000362446826 394861369 /nfs/dbraw/zinc/86/13/69/394861369.db2.gz ATPSYYIJDSKVAU-UONOGXRCSA-N 0 3 299.484 2.458 20 30 CEEDHN CN1CC[C@@H]2CCN(c3c(F)cc(C#N)cc3F)C[C@H]21 ZINC000364297618 394892803 /nfs/dbraw/zinc/89/28/03/394892803.db2.gz AOLJSEAYUJBTTI-BXUZGUMPSA-N 0 3 277.318 2.367 20 30 CEEDHN C=CCOc1cccc(CNCC2([S@@](C)=O)CC2)c1 ZINC000282530394 394921039 /nfs/dbraw/zinc/92/10/39/394921039.db2.gz ZAFYNECYPYDZSA-LJQANCHMSA-N 0 3 279.405 2.252 20 30 CEEDHN C=CCOCCN(CC)C[C@@H]1COc2ccccc2O1 ZINC000338882402 394932634 /nfs/dbraw/zinc/93/26/34/394932634.db2.gz HKYWZZXYUZLJGY-CQSZACIVSA-N 0 3 277.364 2.351 20 30 CEEDHN CC#CCCNCc1c(C)nn(-c2ccccn2)c1C ZINC000338935113 394933225 /nfs/dbraw/zinc/93/32/25/394933225.db2.gz JCTIFYICIAWYJR-UHFFFAOYSA-N 0 3 268.364 2.387 20 30 CEEDHN C[C@H]([C@H]1Cc2ccccc2O1)N(C)CCOCCC#N ZINC000339039820 394938697 /nfs/dbraw/zinc/93/86/97/394938697.db2.gz GVENYEKBCOTTPW-CZUORRHYSA-N 0 3 274.364 2.241 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000366174158 394939787 /nfs/dbraw/zinc/93/97/87/394939787.db2.gz WKTPOTHLXSWSGC-DZGCQCFKSA-N 0 3 265.401 2.078 20 30 CEEDHN N#CCCOCCN1CCC(Cc2cccnc2)CC1 ZINC000339064558 394940227 /nfs/dbraw/zinc/94/02/27/394940227.db2.gz MLOGKGNYSCDJQN-UHFFFAOYSA-N 0 3 273.380 2.266 20 30 CEEDHN CN1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000366223580 394941079 /nfs/dbraw/zinc/94/10/79/394941079.db2.gz MKLBBNSWXMUKQN-INIZCTEOSA-N 0 3 285.391 2.238 20 30 CEEDHN C=CCOCCN1CCC[C@@](CO)(c2ccccc2)C1 ZINC000339165118 394947536 /nfs/dbraw/zinc/94/75/36/394947536.db2.gz QHOKYTGODAPBMU-QGZVFWFLSA-N 0 3 275.392 2.215 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N[C@@H](CC(C)C)CN(C)C)OCC ZINC000339210808 394953039 /nfs/dbraw/zinc/95/30/39/394953039.db2.gz PYZWVBBLTSFMJX-LSDHHAIUSA-N 0 3 284.444 2.450 20 30 CEEDHN CC#CCCN(CCC1CCCCC1)CC(N)=O ZINC000155418890 395027433 /nfs/dbraw/zinc/02/74/33/395027433.db2.gz PCUILCSRGBEHFT-UHFFFAOYSA-N 0 3 250.386 2.158 20 30 CEEDHN C[C@H](C(=O)N(C)[C@@H](C)CC#N)N1CCCCCC1 ZINC000155804939 395030038 /nfs/dbraw/zinc/03/00/38/395030038.db2.gz SSRSBFXMAZSOAL-QWHCGFSZSA-N 0 3 251.374 2.011 20 30 CEEDHN CN(C)[C@H](CC(=O)NCCCCC#N)c1ccccc1 ZINC000416152685 395023145 /nfs/dbraw/zinc/02/31/45/395023145.db2.gz YJQOBFWRHYRVPH-OAHLLOKOSA-N 0 3 273.380 2.489 20 30 CEEDHN C=CCN[C@](C)(CO)c1ccc(Br)cc1 ZINC000286499058 395023157 /nfs/dbraw/zinc/02/31/57/395023157.db2.gz MHLRHAITGQJHIR-GFCCVEGCSA-N 0 3 270.170 2.432 20 30 CEEDHN CCCN(CC(=O)NCC#N)[C@H](CC)c1ccccc1 ZINC000343035042 395030164 /nfs/dbraw/zinc/03/01/64/395030164.db2.gz QESMWEDTLPGXEW-OAHLLOKOSA-N 0 3 273.380 2.489 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)OCC ZINC000339382959 394958133 /nfs/dbraw/zinc/95/81/33/394958133.db2.gz ZUIQWYXGZOOFGH-QLFBSQMISA-N 0 3 280.412 2.053 20 30 CEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc(C#N)c1 ZINC000285741779 394963232 /nfs/dbraw/zinc/96/32/32/394963232.db2.gz JLPFKXXXKFFVML-CZUORRHYSA-N 0 3 283.375 2.257 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ncccc2Cl)CC1 ZINC000340000390 394976834 /nfs/dbraw/zinc/97/68/34/394976834.db2.gz XNGRDEDHAAVQMC-UHFFFAOYSA-N 0 3 279.771 2.115 20 30 CEEDHN Cc1cc(NCCN2[C@H](C)CCC[C@H]2C)c(C#N)cn1 ZINC000425220244 395052622 /nfs/dbraw/zinc/05/26/22/395052622.db2.gz CBEPWSYEUZIAGW-ZIAGYGMSSA-N 0 3 272.396 2.358 20 30 CEEDHN Cc1c(Cl)cnc(N2CCC[C@H]3CN(C)C[C@H]32)c1C#N ZINC000425287997 395056465 /nfs/dbraw/zinc/05/64/65/395056465.db2.gz SSLMMFMAKLMJMN-SMDDNHRTSA-N 0 3 290.798 2.446 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000373241922 395057576 /nfs/dbraw/zinc/05/75/76/395057576.db2.gz GRCAVZHCPGGQAG-CYBMUJFWSA-N 0 3 290.411 2.113 20 30 CEEDHN CC(C)NC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000416397654 395060152 /nfs/dbraw/zinc/06/01/52/395060152.db2.gz KMRFJBJFACOTHY-VIFPVBQESA-N 0 3 271.242 2.232 20 30 CEEDHN CSC[C@@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425529860 395061809 /nfs/dbraw/zinc/06/18/09/395061809.db2.gz CTLMQFLCLCOEOA-FZMZJTMJSA-N 0 3 264.394 2.275 20 30 CEEDHN C[C@@H]1C[C@]2(CCO1)CN(CCCCC#N)C[C@H](C)O2 ZINC000373968596 395068971 /nfs/dbraw/zinc/06/89/71/395068971.db2.gz LSWDJNDSIAQHEW-QLFBSQMISA-N 0 3 266.385 2.339 20 30 CEEDHN N#CCCN(CC1CC1)C(=O)C1CCN(C2CC2)CC1 ZINC000426476391 395076766 /nfs/dbraw/zinc/07/67/66/395076766.db2.gz SGJXJPDHKKHWDD-UHFFFAOYSA-N 0 3 275.396 2.013 20 30 CEEDHN CC(C#N)C(=O)NCCOc1cccc(Br)c1 ZINC000345785890 395076958 /nfs/dbraw/zinc/07/69/58/395076958.db2.gz PMTQXYSMKXMVFA-VIFPVBQESA-N 0 3 297.152 2.104 20 30 CEEDHN C[C@H](C#N)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000345798390 395078093 /nfs/dbraw/zinc/07/80/93/395078093.db2.gz NCMJFTIPQYRZHW-UKRRQHHQSA-N 0 3 271.364 2.099 20 30 CEEDHN CC(C#N)C(=O)NCC(=O)Nc1cccc2ccccc21 ZINC000345797043 395078179 /nfs/dbraw/zinc/07/81/79/395078179.db2.gz IREJZRVSGPQNON-LLVKDONJSA-N 0 3 281.315 2.054 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000426815106 395080968 /nfs/dbraw/zinc/08/09/68/395080968.db2.gz JQFNEKUSGZKSCM-CALCHBBNSA-N 0 3 297.402 2.296 20 30 CEEDHN C#C[C@@H](NCc1cn(C)nc1-c1cccnc1)C(C)C ZINC000289590263 395081102 /nfs/dbraw/zinc/08/11/02/395081102.db2.gz UNMLAXMOCOVHSQ-OAHLLOKOSA-N 0 3 268.364 2.230 20 30 CEEDHN C=CCOCC(=O)N(CCN1CCCCCC1)C(C)C ZINC000345896592 395081373 /nfs/dbraw/zinc/08/13/73/395081373.db2.gz AWGAICBICDIWOZ-UHFFFAOYSA-N 0 3 282.428 2.302 20 30 CEEDHN CN1CC[C@H]2CCN(c3ncc(C#N)cc3Cl)C[C@H]21 ZINC000375048228 395090267 /nfs/dbraw/zinc/09/02/67/395090267.db2.gz HMOWTBDBQGXBSQ-WCQYABFASA-N 0 3 276.771 2.137 20 30 CEEDHN C=C[C@@H](CO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000289904328 395090602 /nfs/dbraw/zinc/09/06/02/395090602.db2.gz UCUPUYLABYXXAO-SMDDNHRTSA-N 0 3 262.309 2.109 20 30 CEEDHN CCCN(CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000346296026 395093850 /nfs/dbraw/zinc/09/38/50/395093850.db2.gz LJHWAVMFWJDCOA-UHFFFAOYSA-N 0 3 265.401 2.403 20 30 CEEDHN COCC[C@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000346298361 395093862 /nfs/dbraw/zinc/09/38/62/395093862.db2.gz IVWZPSUOTKERCG-DZGCQCFKSA-N 0 3 274.364 2.300 20 30 CEEDHN N#CCCCCN[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000171715175 395096706 /nfs/dbraw/zinc/09/67/06/395096706.db2.gz USAIXYPHBFQGSE-HNNXBMFYSA-N 0 3 289.354 2.429 20 30 CEEDHN C=C(CNC(=O)NC[C@H]1CCCN1CC)c1ccccc1 ZINC000287467027 395041897 /nfs/dbraw/zinc/04/18/97/395041897.db2.gz NQGABQKXSQAGEN-MRXNPFEDSA-N 0 3 287.407 2.483 20 30 CEEDHN C[C@H]1CN(c2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000376211418 395113167 /nfs/dbraw/zinc/11/31/67/395113167.db2.gz OWBOREOPKKRRCX-MAUKXSAKSA-N 0 3 298.434 2.020 20 30 CEEDHN C#CCSCCN[C@H](C)c1ccc(OC)c(O)c1 ZINC000290657531 395113294 /nfs/dbraw/zinc/11/32/94/395113294.db2.gz KLWVMAUIEJMOBW-LLVKDONJSA-N 0 3 265.378 2.418 20 30 CEEDHN C=CC[C@@H](CO)N[C@H]1CCc2c1ccc(OC)c2F ZINC000290467567 395104253 /nfs/dbraw/zinc/10/42/53/395104253.db2.gz WVJAVXYRYIGBGQ-GWCFXTLKSA-N 0 3 265.328 2.348 20 30 CEEDHN Cc1nc(NCCN2CCC(C)CC2)ccc1C#N ZINC000291631488 395144715 /nfs/dbraw/zinc/14/47/15/395144715.db2.gz LMMBCVSEYZPKRV-UHFFFAOYSA-N 0 3 258.369 2.406 20 30 CEEDHN N=C(NCc1nc(C2CC2)cs1)Nc1ccccn1 ZINC000178148277 395161153 /nfs/dbraw/zinc/16/11/53/395161153.db2.gz KXQLEJSUXABRCK-UHFFFAOYSA-N 0 3 273.365 2.342 20 30 CEEDHN CO[C@@H](C)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000182002614 395229391 /nfs/dbraw/zinc/22/93/91/395229391.db2.gz ZSXODAWLFRFIJH-HNNXBMFYSA-N 0 3 287.407 2.101 20 30 CEEDHN Cc1n[nH]cc1[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000180919708 395207201 /nfs/dbraw/zinc/20/72/01/395207201.db2.gz WKNQCDYLAGZYNA-NSHDSACASA-N 0 3 270.336 2.319 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](CCC(N)=O)C1 ZINC000186201043 395287569 /nfs/dbraw/zinc/28/75/69/395287569.db2.gz HXYFUXKQQCVFGB-AWEZNQCLSA-N 0 3 285.391 2.344 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H](C)CC1(C)C ZINC000408290222 395296368 /nfs/dbraw/zinc/29/63/68/395296368.db2.gz ICJSWRSJTVHCAO-SWLSCSKDSA-N 0 3 265.401 2.161 20 30 CEEDHN CNC(=O)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411145594 395321643 /nfs/dbraw/zinc/32/16/43/395321643.db2.gz SERHZXWWGAAUCF-UHFFFAOYSA-N 0 3 277.412 2.309 20 30 CEEDHN C=C[C@@H](CO)NCc1cccc(OC(F)(F)F)c1 ZINC000352465361 395257621 /nfs/dbraw/zinc/25/76/21/395257621.db2.gz ISKXIISIEMWKEP-JTQLQIEISA-N 0 3 261.243 2.222 20 30 CEEDHN C=CCOCCN1CCC(Oc2ncccc2C)CC1 ZINC000293979629 395261836 /nfs/dbraw/zinc/26/18/36/395261836.db2.gz DRFONWZCONWFGX-UHFFFAOYSA-N 0 3 276.380 2.436 20 30 CEEDHN CCNC(=O)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442708724 395390750 /nfs/dbraw/zinc/39/07/50/395390750.db2.gz KYUJIGWVADKEGB-HIFRSBDPSA-N 0 3 271.364 2.218 20 30 CEEDHN C=CCN(C)CCN(CC)[C@@H](C)c1nnc(C)s1 ZINC000411644280 395333335 /nfs/dbraw/zinc/33/33/35/395333335.db2.gz QZIPSWSECPVGMC-NSHDSACASA-N 0 3 268.430 2.347 20 30 CEEDHN C[C@@H](NCCC#N)C1CCN(CC(F)(F)F)CC1 ZINC000411694886 395336040 /nfs/dbraw/zinc/33/60/40/395336040.db2.gz SAHMOPQMFKKBHC-SNVBAGLBSA-N 0 3 263.307 2.152 20 30 CEEDHN OC[C@H](NCC#Cc1cccc(Cl)c1)[C@@H]1CCCOC1 ZINC000411983740 395344890 /nfs/dbraw/zinc/34/48/90/395344890.db2.gz CBAZWKQFIWRKJU-ZBFHGGJFSA-N 0 3 293.794 2.069 20 30 CEEDHN Cc1n[nH]c([C@@H]2CCN(CC#Cc3ccc(F)cc3)C2)n1 ZINC000412024364 395345056 /nfs/dbraw/zinc/34/50/56/395345056.db2.gz BSJNTFJTMDNZCY-CQSZACIVSA-N 0 3 284.338 2.093 20 30 CEEDHN Cc1nc([C@@H]2CCN(CC#Cc3ccc(F)cc3)C2)n[nH]1 ZINC000412024364 395345059 /nfs/dbraw/zinc/34/50/59/395345059.db2.gz BSJNTFJTMDNZCY-CQSZACIVSA-N 0 3 284.338 2.093 20 30 CEEDHN Cc1nnc([C@@H]2CCN(CC#Cc3ccc(F)cc3)C2)[nH]1 ZINC000412024364 395345063 /nfs/dbraw/zinc/34/50/63/395345063.db2.gz BSJNTFJTMDNZCY-CQSZACIVSA-N 0 3 284.338 2.093 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CC(C)(C)C[C@H]1C ZINC000412028258 395345478 /nfs/dbraw/zinc/34/54/78/395345478.db2.gz WVHCOASJKMFTPF-CYBMUJFWSA-N 0 3 250.386 2.307 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)Cc1cccc(C#N)c1 ZINC000531384944 395459059 /nfs/dbraw/zinc/45/90/59/395459059.db2.gz VDINWOFPEFZLGG-CQSZACIVSA-N 0 3 285.391 2.091 20 30 CEEDHN CSCC[C@@H](CO)NCc1ccc(C#N)c(C)c1 ZINC000443979560 395408261 /nfs/dbraw/zinc/40/82/61/395408261.db2.gz KTTBZQOZZFNRSA-AWEZNQCLSA-N 0 3 264.394 2.070 20 30 CEEDHN CC(C)[C@H]1CN(C)CCN1Cc1ccccc1C#N ZINC000355374245 395427014 /nfs/dbraw/zinc/42/70/14/395427014.db2.gz YATJQESQRGQFGL-MRXNPFEDSA-N 0 3 257.381 2.330 20 30 CEEDHN CCOC(=O)[C@@H]1CC[C@@H](NCC2(C#N)CC2)C[C@@H]1C ZINC000573661727 395613759 /nfs/dbraw/zinc/61/37/59/395613759.db2.gz DFWZUBXBISCNPT-YNEHKIRRSA-N 0 3 264.369 2.248 20 30 CEEDHN CCN(C)C(=O)[C@@H](N[C@@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000449442466 395548776 /nfs/dbraw/zinc/54/87/76/395548776.db2.gz ZBEITVVTPMSGFR-MCIONIFRSA-N 0 3 265.401 2.161 20 30 CEEDHN CC[C@@H]1CN(CC)CCN1Cc1ccccc1C#N ZINC000449566754 395555208 /nfs/dbraw/zinc/55/52/08/395555208.db2.gz REHSKPJVEMZZEJ-MRXNPFEDSA-N 0 3 257.381 2.474 20 30 CEEDHN C[C@@H](CCC#N)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000568637578 395564125 /nfs/dbraw/zinc/56/41/25/395564125.db2.gz RVRZHSYHJNFNMB-ZDUSSCGKSA-N 0 3 287.411 2.486 20 30 CEEDHN Cc1c(C#N)c(N2CC(N(C)C)C2)nc2ccccc12 ZINC000450413352 395571524 /nfs/dbraw/zinc/57/15/24/395571524.db2.gz SWKLEJMXAAAENX-UHFFFAOYSA-N 0 3 266.348 2.165 20 30 CEEDHN CN1CCN(C[C@@H](C#N)CCC#N)CC12CCCCC2 ZINC000571057256 395584233 /nfs/dbraw/zinc/58/42/33/395584233.db2.gz MMQWBOANGZZINI-OAHLLOKOSA-N 0 3 274.412 2.380 20 30 CEEDHN O[C@@H](CNCC#Cc1cccc(F)c1)CC(F)(F)F ZINC000571910673 395585090 /nfs/dbraw/zinc/58/50/90/395585090.db2.gz QPCAIVJSOBFYRC-GFCCVEGCSA-N 0 3 275.245 2.080 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNC[C@H](C#N)CCC#N ZINC000572870504 395592334 /nfs/dbraw/zinc/59/23/34/395592334.db2.gz RMHRCRWGYKSRMK-ZNMIVQPWSA-N 0 3 262.401 2.282 20 30 CEEDHN CC[C@@H]1CN(CC)CCN1Cc1cc(C#N)ccc1OC ZINC000451746301 395624581 /nfs/dbraw/zinc/62/45/81/395624581.db2.gz ZBMIGWKAWIGNSU-MRXNPFEDSA-N 0 3 287.407 2.483 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)CCc2ccc(C#N)cc2)C1 ZINC000457112314 395634769 /nfs/dbraw/zinc/63/47/69/395634769.db2.gz JAUYTIHSQAGYIG-QGZVFWFLSA-N 0 3 299.418 2.432 20 30 CEEDHN CCC1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000457280886 395635837 /nfs/dbraw/zinc/63/58/37/395635837.db2.gz RRJFOKVOHHJQPV-OAHLLOKOSA-N 0 3 267.332 2.109 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)C(=O)CN1CCC(C)(C)C1 ZINC000574780300 395637324 /nfs/dbraw/zinc/63/73/24/395637324.db2.gz JISQMNZOJRLJDS-UHFFFAOYSA-N 0 3 285.391 2.249 20 30 CEEDHN CC(C)(C)N1CCCN(c2cccnc2C#N)CC1 ZINC000574803083 395637851 /nfs/dbraw/zinc/63/78/51/395637851.db2.gz PJFZCFALEAWPHO-UHFFFAOYSA-N 0 3 258.369 2.264 20 30 CEEDHN CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C#N)c2)CCN1C ZINC000487088060 395667099 /nfs/dbraw/zinc/66/70/99/395667099.db2.gz QDOMLCPFBBUPFC-HNNXBMFYSA-N 0 3 288.351 2.243 20 30 CEEDHN CC(C)[C@H]1CN(Cc2cccc(C#N)c2F)CCN1C ZINC000488030453 395667765 /nfs/dbraw/zinc/66/77/65/395667765.db2.gz YSTFGTNQFKOICC-OAHLLOKOSA-N 0 3 275.371 2.469 20 30 CEEDHN Cc1cc(CN(C)C[C@H]2CCC[C@H]2O)ccc1C#N ZINC000488130939 395668101 /nfs/dbraw/zinc/66/81/01/395668101.db2.gz RCURVWKHCMJGPV-HZPDHXFCSA-N 0 3 258.365 2.460 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(CCOCC)CCCC1 ZINC000491728050 395670501 /nfs/dbraw/zinc/67/05/01/395670501.db2.gz GZMKTRPJONIGBQ-UHFFFAOYSA-N 0 3 294.439 2.045 20 30 CEEDHN C#CCN(CCC(=O)NCC1CCCCC1)C1CC1 ZINC000491746148 395670609 /nfs/dbraw/zinc/67/06/09/395670609.db2.gz XZPCKBOIFHPFKO-UHFFFAOYSA-N 0 3 262.397 2.171 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1nn(C)c2ccccc12 ZINC000648763047 395976791 /nfs/dbraw/zinc/97/67/91/395976791.db2.gz VKJSHFXRGDKBHE-CJNGLKHVSA-N 0 3 271.364 2.397 20 30 CEEDHN C=C[C@@H](CC(=O)NC[C@@H]1C[C@H](F)CN1)c1ccccc1 ZINC000649363233 396129456 /nfs/dbraw/zinc/12/94/56/396129456.db2.gz FONYASUQBBEOHM-QEJZJMRPSA-N 0 3 276.355 2.163 20 30 CEEDHN CCC#C[C@@H](C)N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000649774298 396256491 /nfs/dbraw/zinc/25/64/91/396256491.db2.gz JZLDINDGUWCKFC-ZIAGYGMSSA-N 0 3 264.413 2.402 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([C@@H](C)CO)CC1 ZINC000649803810 396261851 /nfs/dbraw/zinc/26/18/51/396261851.db2.gz QKLWJBAJEXXJSB-LSDHHAIUSA-N 0 3 296.455 2.140 20 30 CEEDHN C=CCn1cc(CNC2CCC(F)(F)CC2)nn1 ZINC000647219256 396444151 /nfs/dbraw/zinc/44/41/51/396444151.db2.gz QDTDPTVMHXQJQO-UHFFFAOYSA-N 0 3 256.300 2.132 20 30 CEEDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C1(C#N)CCCCC1 ZINC000083550278 297092486 /nfs/dbraw/zinc/09/24/86/297092486.db2.gz ZAEMCNMIRXGDMI-ZIAGYGMSSA-N 0 3 275.396 2.156 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@H](C)C[C@@H](CO)C1 ZINC000420954660 400571359 /nfs/dbraw/zinc/57/13/59/400571359.db2.gz ZQDHKQCDEPOMHV-TZMCWYRMSA-N 0 3 274.364 2.017 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000488933247 400587057 /nfs/dbraw/zinc/58/70/57/400587057.db2.gz AQFFYXBJZKCLCE-KGLIPLIRSA-N 0 3 275.396 2.229 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@]2(CC2(F)F)C1 ZINC000649901727 400749246 /nfs/dbraw/zinc/74/92/46/400749246.db2.gz PYRIHPIPCTVPIG-OCCSQVGLSA-N 0 3 284.350 2.307 20 30 CEEDHN CCC#C[C@H](C)N1CCC(CCN2CCOCC2)CC1 ZINC000650193481 400833600 /nfs/dbraw/zinc/83/36/00/400833600.db2.gz HOEVUFCZQIRIHK-INIZCTEOSA-N 0 3 278.440 2.223 20 30 CEEDHN C=CC[C@@H]1CC[C@H](NCc2ccnc(N(C)C)n2)C1 ZINC000651748459 401383356 /nfs/dbraw/zinc/38/33/56/401383356.db2.gz MOWHWTWREWQBPR-OLZOCXBDSA-N 0 3 260.385 2.377 20 30 CEEDHN C[C@H](CNC(=O)[C@H](C)c1cccc(C#N)c1)N(C)C1CC1 ZINC000360144874 155225556 /nfs/dbraw/zinc/22/55/56/155225556.db2.gz YDUIPNDWLSGWBW-CHWSQXEVSA-N 0 3 285.391 2.261 20 30 CEEDHN C[C@H](C(=O)N(C)C[C@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000360203027 155241518 /nfs/dbraw/zinc/24/15/18/155241518.db2.gz FUJCDYOBEBSNFP-HOCLYGCPSA-N 0 3 299.418 2.462 20 30 CEEDHN CCCN(CCN(C)C)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000360381545 155285974 /nfs/dbraw/zinc/28/59/74/155285974.db2.gz ZQGXTCYCAACMLX-AWEZNQCLSA-N 0 3 287.407 2.462 20 30 CEEDHN COC(=O)[C@]12CCC[C@H]1CN(Cc1cccc(C#N)c1)C2 ZINC000360678242 155349469 /nfs/dbraw/zinc/34/94/69/155349469.db2.gz CMHNZDJMLXBYCD-RDJZCZTQSA-N 0 3 284.359 2.333 20 30 CEEDHN Cc1cccc(OCCNCc2cc(C#N)n(C)c2)c1 ZINC000189590922 153101177 /nfs/dbraw/zinc/10/11/77/153101177.db2.gz ZKDGQHIQDVNWCB-UHFFFAOYSA-N 0 3 269.348 2.374 20 30 CEEDHN Cn1ccnc1C[C@H]1CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191464064 153174860 /nfs/dbraw/zinc/17/48/60/153174860.db2.gz NDYCOLYIWMEHBN-CQSZACIVSA-N 0 3 297.406 2.085 20 30 CEEDHN N#Cc1cc(CN[C@@H]2CCO[C@H]2C2CC2)ccc1F ZINC000236158726 153443246 /nfs/dbraw/zinc/44/32/46/153443246.db2.gz BFVWXWBARDNJKI-CABCVRRESA-N 0 3 260.312 2.354 20 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C=C(C)[C@H](NC[C@@H]1CNC(=O)C1)c1ccc(F)c(F)c1 ZINC000660311624 414764944 /nfs/dbraw/zinc/76/49/44/414764944.db2.gz INRIBKMKQBNRCL-BONVTDFDSA-N 0 3 280.318 2.308 20 30 CEEDHN C=CCC1(NC(=O)C[C@@H]2CSCCN2)CCCC1 ZINC000662888007 414789018 /nfs/dbraw/zinc/78/90/18/414789018.db2.gz CBDXUXMCRCFLRK-GFCCVEGCSA-N 0 3 268.426 2.087 20 30 CEEDHN C=CCCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000660322204 414771395 /nfs/dbraw/zinc/77/13/95/414771395.db2.gz KEZGYOZYEVBXRC-UHFFFAOYSA-N 0 3 287.407 2.310 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000662857077 414776776 /nfs/dbraw/zinc/77/67/76/414776776.db2.gz CXARVWAQBMDLDB-ZDUSSCGKSA-N 0 3 250.386 2.463 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)[C@H]2CNCCC2(F)F)C1 ZINC000662857850 414777476 /nfs/dbraw/zinc/77/74/76/414777476.db2.gz RKAAPIJOTSCHJU-VXGBXAGGSA-N 0 3 272.339 2.046 20 30 CEEDHN C=CCCN(C)[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000660400379 414805781 /nfs/dbraw/zinc/80/57/81/414805781.db2.gz MYQFOKWGXPPVAE-MRXNPFEDSA-N 0 3 288.391 2.304 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2cscn2)CC1 ZINC000660708145 414943363 /nfs/dbraw/zinc/94/33/63/414943363.db2.gz VZXLHMLCMDIHNU-LLVKDONJSA-N 0 3 294.424 2.154 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C)CC1 ZINC000042287173 174674213 /nfs/dbraw/zinc/67/42/13/174674213.db2.gz WKXISJPPMIAVCI-AWEZNQCLSA-N 0 3 250.386 2.307 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000660702965 414940594 /nfs/dbraw/zinc/94/05/94/414940594.db2.gz NCCVJGZNTSJAFG-GDBMZVCRSA-N 0 3 291.439 2.468 20 30 CEEDHN C=CCN(C(=O)N[C@@H](CC(C)C)CN(C)C)[C@@H](C)COC ZINC000663693742 415017725 /nfs/dbraw/zinc/01/77/25/415017725.db2.gz RJWMEFZZXUBRNY-GJZGRUSLSA-N 0 3 299.459 2.195 20 30 CEEDHN C=C(C)CN(C)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000653609375 415053585 /nfs/dbraw/zinc/05/35/85/415053585.db2.gz JYJGVTVEXPPEPV-MRXNPFEDSA-N 0 3 260.381 2.400 20 30 CEEDHN CCC#C[C@@H](C)N1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000653707605 415080848 /nfs/dbraw/zinc/08/08/48/415080848.db2.gz IDOLRJWCZDNQEB-TZMCWYRMSA-N 0 3 262.397 2.025 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CEEDHN CCOC(=O)C(C#N)NC(=O)C=Cc1ccccc1 ZINC000045191067 175326379 /nfs/dbraw/zinc/32/63/79/175326379.db2.gz GQTLZSJYJLNEGF-IDVQTMNDSA-N 0 3 258.277 2.112 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000661496022 415292410 /nfs/dbraw/zinc/29/24/10/415292410.db2.gz KLLAHFFDYBLASK-OIISXLGYSA-N 0 3 294.439 2.158 20 30 CEEDHN C=CCOCCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000664381436 415311514 /nfs/dbraw/zinc/31/15/14/415311514.db2.gz WLFXNZLPMCQZEU-UHFFFAOYSA-N 0 3 291.395 2.462 20 30 CEEDHN C=CCCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000661572010 415333233 /nfs/dbraw/zinc/33/32/33/415333233.db2.gz CXZCZMDRLKLFLM-UHFFFAOYSA-N 0 3 287.407 2.480 20 30 CEEDHN C[C@]12COC[C@@H]1CN(CC#Cc1ccc(F)cc1)C2 ZINC000661700017 415411518 /nfs/dbraw/zinc/41/15/18/415411518.db2.gz LXRWYKWFMXNYMA-HOCLYGCPSA-N 0 3 259.324 2.146 20 30 CEEDHN C=CCOCCCNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000661789070 415463204 /nfs/dbraw/zinc/46/32/04/415463204.db2.gz UPIMQRPPIDXELR-UHFFFAOYSA-N 0 3 297.443 2.095 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CNCCC1(F)F ZINC000659329345 415519944 /nfs/dbraw/zinc/51/99/44/415519944.db2.gz MTDZAFZDBOGHEH-AGIUHOORSA-N 0 3 286.366 2.482 20 30 CEEDHN C=CC[C@@H](C)NC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000656108904 415595873 /nfs/dbraw/zinc/59/58/73/415595873.db2.gz IVLWYESQJZFNPW-CYBMUJFWSA-N 0 3 267.417 2.467 20 30 CEEDHN C=C[C@H](CO)NCCCOc1ccc(Cl)cc1 ZINC000662167502 415668622 /nfs/dbraw/zinc/66/86/22/415668622.db2.gz GTBJJGFCQOOLQT-GFCCVEGCSA-N 0 3 255.745 2.245 20 30 CEEDHN C=C[C@H](CO)NCCCOc1cccc(Cl)c1 ZINC000662165470 415668742 /nfs/dbraw/zinc/66/87/42/415668742.db2.gz HMVWFJGTDPFQST-GFCCVEGCSA-N 0 3 255.745 2.245 20 30 CEEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCCN(C)CC1 ZINC000665398088 415725871 /nfs/dbraw/zinc/72/58/71/415725871.db2.gz YKWQGRFYGVJHTD-GJZGRUSLSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CC1CCN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659917150 415781058 /nfs/dbraw/zinc/78/10/58/415781058.db2.gz RAGWNJCUFKBIJD-QLFBSQMISA-N 0 3 262.397 2.332 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)C[C@@H]1CC1(C)C ZINC000662348701 415796349 /nfs/dbraw/zinc/79/63/49/415796349.db2.gz SSBYODCAEVPFHJ-ZDUSSCGKSA-N 0 3 250.386 2.165 20 30 CEEDHN C=CCOCCCNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000662664898 415924349 /nfs/dbraw/zinc/92/43/49/415924349.db2.gz WLWSNYKBHORGPO-UKRRQHHQSA-N 0 3 276.380 2.031 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)CC1 ZINC000078331677 177333265 /nfs/dbraw/zinc/33/32/65/177333265.db2.gz GLVAKRNABSLJIQ-HUUCEWRRSA-N 0 3 291.439 2.468 20 30 CEEDHN N#Cc1ccc(CNCC2(O)CCCCC2)c(F)c1 ZINC000078515818 177348999 /nfs/dbraw/zinc/34/89/99/177348999.db2.gz NMHFRFIXLXLHDJ-UHFFFAOYSA-N 0 3 262.328 2.482 20 30 CEEDHN Cc1ccccc1OCCCN(C)C(=O)C(C)C#N ZINC000347069590 226014128 /nfs/dbraw/zinc/01/41/28/226014128.db2.gz NIOMGYLWBVAPGS-ZDUSSCGKSA-N 0 3 260.337 2.382 20 30 CEEDHN COC(=O)[C@@H]1CCN(Cc2ccc(CC#N)cc2)[C@@H]1C ZINC000347208585 226086351 /nfs/dbraw/zinc/08/63/51/226086351.db2.gz NQLXVHPZAPJSDQ-IUODEOHRSA-N 0 3 272.348 2.136 20 30 CEEDHN C[C@H](C(=O)NC1CCCC1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000330150227 228051082 /nfs/dbraw/zinc/05/10/82/228051082.db2.gz VPFZZJUFGAKPJW-NEPJUHHUSA-N 0 3 291.399 2.272 20 30 CEEDHN COc1ccc([C@H]2CCN(C(=O)C(C)C#N)C2)cc1 ZINC000336002057 228177352 /nfs/dbraw/zinc/17/73/52/228177352.db2.gz SPWJGDJZNQQSEB-AAEUAGOBSA-N 0 3 258.321 2.171 20 30 CEEDHN COc1ccccc1[C@H]1CCN(C(=O)C(C)C#N)C1 ZINC000336002435 228177379 /nfs/dbraw/zinc/17/73/79/228177379.db2.gz WXTVGLGSCJFGGL-NEPJUHHUSA-N 0 3 258.321 2.171 20 30 CEEDHN N#C[C@]1(C(=O)NC2CCN(C3CC3)CC2)CC12CCCC2 ZINC000333171080 228192133 /nfs/dbraw/zinc/19/21/33/228192133.db2.gz KHMGXJFVEDOFHN-KRWDZBQOSA-N 0 3 287.407 2.203 20 30 CEEDHN N#CC[C@@H]1CC[C@H](NC(=O)C2CN(C3CCCCC3)C2)C1 ZINC000333741699 228211777 /nfs/dbraw/zinc/21/17/77/228211777.db2.gz LQFMWAFOIGMFIE-ZFWWWQNUSA-N 0 3 289.423 2.449 20 30 CEEDHN CCC[C@@H](C)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000187708609 260105470 /nfs/dbraw/zinc/10/54/70/260105470.db2.gz LFUUPZKGLPIKOE-CYBMUJFWSA-N 0 3 258.369 2.264 20 30 CEEDHN C#C[C@@H](NC[C@H](O)c1c(F)cccc1F)C(C)C ZINC000305927457 260106420 /nfs/dbraw/zinc/10/64/20/260106420.db2.gz NULWPRXEMXHSTC-OLZOCXBDSA-N 0 3 253.292 2.246 20 30 CEEDHN C=CCCCN1CCC[C@H]1C(=O)NCc1ccco1 ZINC000117872567 260116935 /nfs/dbraw/zinc/11/69/35/260116935.db2.gz UOXCHMMXJQZKQJ-AWEZNQCLSA-N 0 3 262.353 2.326 20 30 CEEDHN C=CCCCN(CCO)Cc1ccc(OC)cc1OC ZINC000117882747 260117438 /nfs/dbraw/zinc/11/74/38/260117438.db2.gz MMODFHFCTKUDER-UHFFFAOYSA-N 0 3 279.380 2.464 20 30 CEEDHN CC#CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000297609509 260129842 /nfs/dbraw/zinc/12/98/42/260129842.db2.gz FGQQXQALJLINHY-RDJZCZTQSA-N 0 3 299.418 2.314 20 30 CEEDHN C#CCN(C)CCC(=O)Nc1cccc(Br)c1 ZINC000298346212 260151577 /nfs/dbraw/zinc/15/15/77/260151577.db2.gz BQNJKGIPCBOBJK-UHFFFAOYSA-N 0 3 295.180 2.343 20 30 CEEDHN CC1(C#N)CCN(CCC(=O)NC2CCCC2)CC1 ZINC000408161085 260332627 /nfs/dbraw/zinc/33/26/27/260332627.db2.gz ZEUPSQQLSRAIPD-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN CSC[C@](C)(O)CNC1CC(C#N)(c2ccccc2)C1 ZINC000127205504 260360998 /nfs/dbraw/zinc/36/09/98/260360998.db2.gz PUZRAGWMXXMQCP-HWOWSKLDSA-N 0 3 290.432 2.314 20 30 CEEDHN C#CCN1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000037199174 260637658 /nfs/dbraw/zinc/63/76/58/260637658.db2.gz LQOZTDQNGDCYRN-UHFFFAOYSA-N 0 3 274.364 2.213 20 30 CEEDHN CC(C)[C@H]1CCCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000247217513 260868630 /nfs/dbraw/zinc/86/86/30/260868630.db2.gz VEIINSGTNURCEV-GDBMZVCRSA-N 0 3 277.412 2.305 20 30 CEEDHN C=CCCCNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000448390691 261139757 /nfs/dbraw/zinc/13/97/57/261139757.db2.gz UWZMOTHTQOCDGM-OLZOCXBDSA-N 0 3 253.390 2.077 20 30 CEEDHN C#CCN(CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000490779210 261206071 /nfs/dbraw/zinc/20/60/71/261206071.db2.gz SPFGSYBMEWCUCW-UHFFFAOYSA-N 0 3 276.340 2.059 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000491048884 261311918 /nfs/dbraw/zinc/31/19/18/261311918.db2.gz ZZJZOUNPYOOFED-SWLSCSKDSA-N 0 3 276.355 2.250 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@H](Cc2ccccc2)C1 ZINC000371547989 261322943 /nfs/dbraw/zinc/32/29/43/261322943.db2.gz DOOMDFUAKHETLX-MRXNPFEDSA-N 0 3 272.392 2.243 20 30 CEEDHN C#C[C@H](C)N(C)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000491677004 261782396 /nfs/dbraw/zinc/78/23/96/261782396.db2.gz PSITYLTZXHQZRJ-JTQLQIEISA-N 0 3 266.291 2.247 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)Nc1ccc(CC#N)cc1 ZINC000184005155 262004428 /nfs/dbraw/zinc/00/44/28/262004428.db2.gz SEGCZFLHKHDVTR-UHFFFAOYSA-N 0 3 286.379 2.311 20 30 CEEDHN CC#CCCN1CCCC[C@H]1COC(=O)NC1CC1 ZINC000497175751 262044274 /nfs/dbraw/zinc/04/42/74/262044274.db2.gz FOMGEBFSBIXVPH-AWEZNQCLSA-N 0 3 264.369 2.143 20 30 CEEDHN CC#CCCCC(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC000364168457 262178625 /nfs/dbraw/zinc/17/86/25/262178625.db2.gz DVJFQJPOPRYPQV-IRXDYDNUSA-N 0 3 284.403 2.394 20 30 CEEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000192746087 262210292 /nfs/dbraw/zinc/21/02/92/262210292.db2.gz GIDZEGVJNIRNPV-ZNMIVQPWSA-N 0 3 283.375 2.464 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000364855633 262262925 /nfs/dbraw/zinc/26/29/25/262262925.db2.gz RZWVSUWJQCNYAJ-NVXWUHKLSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCN(CC=C)C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C ZINC000496979147 262360856 /nfs/dbraw/zinc/36/08/56/262360856.db2.gz OHQIHUFZMSEFRX-INIZCTEOSA-N 0 3 298.427 2.278 20 30 CEEDHN CC(C)(C#N)CCCCN1CCN([C@H]2CCOC2)CC1 ZINC000365431147 262365001 /nfs/dbraw/zinc/36/50/01/262365001.db2.gz HDPQKABIJSIGSG-HNNXBMFYSA-N 0 3 279.428 2.113 20 30 CEEDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C1(C#N)CCCC1 ZINC000365638120 262376409 /nfs/dbraw/zinc/37/64/09/262376409.db2.gz XKZOGCHJKVVEIX-UONOGXRCSA-N 0 3 275.396 2.156 20 30 CEEDHN Cc1nsc(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1C#N ZINC000488751291 262388729 /nfs/dbraw/zinc/38/87/29/262388729.db2.gz MTIRRLJDMXTVKR-MISXGVKJSA-N 0 3 290.436 2.490 20 30 CEEDHN C#CCOc1ccc(CN2CC([C@H]3CCOC3)C2)cc1 ZINC000366249901 262592149 /nfs/dbraw/zinc/59/21/49/262592149.db2.gz KPUDUYUIVIDNRO-HNNXBMFYSA-N 0 3 271.360 2.167 20 30 CEEDHN C=CCOCCN[C@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000339195631 262615984 /nfs/dbraw/zinc/61/59/84/262615984.db2.gz VDDOSWANUKVGAS-MRXNPFEDSA-N 0 3 295.354 2.396 20 30 CEEDHN COC(=O)COc1ccccc1[C@@H](C)NCCCC#N ZINC000273291592 263014998 /nfs/dbraw/zinc/01/49/98/263014998.db2.gz SHSDHYHZAMKWDD-GFCCVEGCSA-N 0 3 276.336 2.193 20 30 CEEDHN N#Cc1ccc(N2CCN(CC3CCCC3)CC2)nc1 ZINC000193954991 263033027 /nfs/dbraw/zinc/03/30/27/263033027.db2.gz JJKOGLGHBMRFBW-UHFFFAOYSA-N 0 3 270.380 2.265 20 30 CEEDHN N#CCCCC[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000275917416 263034440 /nfs/dbraw/zinc/03/44/40/263034440.db2.gz YKRXNESLXGXJHB-ZDUSSCGKSA-N 0 3 255.325 2.178 20 30 CEEDHN C=CCOc1ccc(CN2CCNC[C@](C)(F)C2)cc1 ZINC000414768214 263041650 /nfs/dbraw/zinc/04/16/50/263041650.db2.gz LLGRFJMJUGRRKF-INIZCTEOSA-N 0 3 278.371 2.385 20 30 CEEDHN CO[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000280579725 263063144 /nfs/dbraw/zinc/06/31/44/263063144.db2.gz VZKJKNMEKMDNKV-CVEARBPZSA-N 0 3 299.374 2.028 20 30 CEEDHN C=CCN1CC[C@H](N(C)CCCCC(C)(C)C#N)C1=O ZINC000281393111 263068564 /nfs/dbraw/zinc/06/85/64/263068564.db2.gz PXMCRNFYZDZJNP-AWEZNQCLSA-N 0 3 277.412 2.425 20 30 CEEDHN N#CCCCN[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000282481826 263076885 /nfs/dbraw/zinc/07/68/85/263076885.db2.gz MLAPLSLASZUXNN-INIZCTEOSA-N 0 3 281.359 2.483 20 30 CEEDHN N#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000290957331 263119359 /nfs/dbraw/zinc/11/93/59/263119359.db2.gz MWDHTDVCFONOJV-OAHLLOKOSA-N 0 3 271.364 2.071 20 30 CEEDHN C=C(C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000452715894 263135453 /nfs/dbraw/zinc/13/54/53/263135453.db2.gz FPTATCLQCCQIBO-HNNXBMFYSA-N 0 3 267.332 2.323 20 30 CEEDHN N#C[C@H]1CC[C@H](N2CCC(Nc3cccnn3)CC2)C1 ZINC000292976832 263136865 /nfs/dbraw/zinc/13/68/65/263136865.db2.gz DYXBAJBMAROKEI-JSGCOSHPSA-N 0 3 271.368 2.045 20 30 CEEDHN C#CCOc1ccc(CNC[C@H](OC)C2CC2)cc1 ZINC000293185558 263138527 /nfs/dbraw/zinc/13/85/27/263138527.db2.gz WVWYJJKVTCUSAL-INIZCTEOSA-N 0 3 259.349 2.213 20 30 CEEDHN C=CCN(CCC#N)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000293746871 263148802 /nfs/dbraw/zinc/14/88/02/263148802.db2.gz LWMJMQLNHBFOIY-MJBXVCDLSA-N 0 3 263.385 2.176 20 30 CEEDHN CCn1cc([C@H](C)NCCCSCC#N)cn1 ZINC000295910582 263183693 /nfs/dbraw/zinc/18/36/93/263183693.db2.gz DSIDGOSMQXPQCU-NSHDSACASA-N 0 3 252.387 2.200 20 30 CEEDHN C=CCOc1cccc(NC(=O)N2C[C@H](C)NC[C@@H]2C)c1 ZINC000415018535 263255728 /nfs/dbraw/zinc/25/57/28/263255728.db2.gz UIDJFZGCXXNNON-STQMWFEESA-N 0 3 289.379 2.466 20 30 CEEDHN C=CCCC[C@H](C)N1CCN(c2cccnn2)CC1 ZINC000340956125 263313774 /nfs/dbraw/zinc/31/37/74/263313774.db2.gz UPHCQBQMXDSGHS-AWEZNQCLSA-N 0 3 260.385 2.343 20 30 CEEDHN CC#CCN(C)C[C@@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000341011775 263316474 /nfs/dbraw/zinc/31/64/74/263316474.db2.gz GUZUJDYWWHLEQA-OLZOCXBDSA-N 0 3 281.400 2.011 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cc([N+](=O)[O-])ccc1OCC ZINC000341281606 263330088 /nfs/dbraw/zinc/33/00/88/263330088.db2.gz VVZNOTISWCEVCI-GFCCVEGCSA-N 0 3 294.351 2.268 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000341433575 263338014 /nfs/dbraw/zinc/33/80/14/263338014.db2.gz JVHBAGZBNUDMSI-RDBSUJKOSA-N 0 3 265.401 2.077 20 30 CEEDHN CN(C(=O)C(C#N)CCc1ccccc1)[C@@H]1CCC[C@@H]1O ZINC000341833834 263353714 /nfs/dbraw/zinc/35/37/14/263353714.db2.gz LPLAEAWLXJRAOS-XHSDSOJGSA-N 0 3 286.375 2.131 20 30 CEEDHN CN(C(=O)C(C#N)CCc1ccccc1)[C@H]1CCC[C@@H]1O ZINC000341833833 263353869 /nfs/dbraw/zinc/35/38/69/263353869.db2.gz LPLAEAWLXJRAOS-JYJNAYRXSA-N 0 3 286.375 2.131 20 30 CEEDHN CC#CCCCC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000341998560 263373753 /nfs/dbraw/zinc/37/37/53/263373753.db2.gz COZFVOOGAQSIDD-UHFFFAOYSA-N 0 3 294.439 2.186 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000334433869 263629130 /nfs/dbraw/zinc/62/91/30/263629130.db2.gz XXWWCEBAFKPEEP-DGCLKSJQSA-N 0 3 288.322 2.407 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2cn3c(n2)CCCC3)CCN1C ZINC000328729647 263861958 /nfs/dbraw/zinc/86/19/58/263861958.db2.gz WFBGTMWXIDFIID-VXGBXAGGSA-N 0 3 276.384 2.007 20 30 CEEDHN Cc1cccc(C(=O)NC[C@H](O)CN2CCC(C)CC2)c1 ZINC000330372171 263916101 /nfs/dbraw/zinc/91/61/01/263916101.db2.gz JXLNRKXJOAWLOI-INIZCTEOSA-N 0 3 290.407 2.392 20 30 CEEDHN COc1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc(C)n1 ZINC000330386840 263925019 /nfs/dbraw/zinc/92/50/19/263925019.db2.gz VKWFUFVEFJRRNC-LBPRGKRZSA-N 0 3 289.379 2.354 20 30 CEEDHN COc1cnc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)s1 ZINC000330728585 264035809 /nfs/dbraw/zinc/03/58/09/264035809.db2.gz NGKFEAHARCHHPU-VIFPVBQESA-N 0 3 296.396 2.128 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CCN1C ZINC000330916230 264093451 /nfs/dbraw/zinc/09/34/51/264093451.db2.gz UZLANUKDHZTOFN-PSASIEDQSA-N 0 3 283.353 2.444 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC(C#N)CC2)cc1 ZINC000331020560 264098165 /nfs/dbraw/zinc/09/81/65/264098165.db2.gz XNFXHUSULQYHSB-MRXNPFEDSA-N 0 3 292.342 2.003 20 30 CEEDHN CC(C)OCCN1CCC(NC(=O)C2=CCOCC2)CC1 ZINC000331042723 264108135 /nfs/dbraw/zinc/10/81/35/264108135.db2.gz RNLFGMVMMJHLAK-UHFFFAOYSA-N 0 3 296.411 2.179 20 30 CEEDHN C[C@@H]1COC[C@H](C)N1C(=O)C(C#N)CCc1ccccc1 ZINC000331212812 264163230 /nfs/dbraw/zinc/16/32/30/264163230.db2.gz KOOBGDMGTYAORV-IJEWVQPXSA-N 0 3 286.375 2.395 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccoc1 ZINC000331333854 264192802 /nfs/dbraw/zinc/19/28/02/264192802.db2.gz TUONQMUGLOVLSE-ZDUSSCGKSA-N 0 3 279.384 2.404 20 30 CEEDHN C[C@@H]1[C@H](O)CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000331356030 264208158 /nfs/dbraw/zinc/20/81/58/264208158.db2.gz RKDGNGPSSCBINL-VNQPRFMTSA-N 0 3 286.375 2.131 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@H](C)[C@H]2CO)cc1OC ZINC000191177747 264482052 /nfs/dbraw/zinc/48/20/52/264482052.db2.gz JNFVKYHJBQWLKW-DZGCQCFKSA-N 0 3 291.391 2.463 20 30 CEEDHN C#CCCCCNCc1cn(-c2ccccc2C)nn1 ZINC000289915527 264746178 /nfs/dbraw/zinc/74/61/78/264746178.db2.gz ZFGHXHRAJNBLOB-UHFFFAOYSA-N 0 3 268.364 2.469 20 30 CEEDHN CC#CCCN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000185192317 264998557 /nfs/dbraw/zinc/99/85/57/264998557.db2.gz KJDYUFDFIOLHDT-ZDUSSCGKSA-N 0 3 258.369 2.275 20 30 CEEDHN C=CCOCCN1CCC(c2ccnn2CC)CC1 ZINC000294293246 265009810 /nfs/dbraw/zinc/00/98/10/265009810.db2.gz WNNVQTFTWZOFIN-UHFFFAOYSA-N 0 3 263.385 2.285 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000519294695 265388022 /nfs/dbraw/zinc/38/80/22/265388022.db2.gz VZLXROQSMYGAHU-ZWNOBZJWSA-N 0 3 285.326 2.393 20 30 CEEDHN CCC1(CC)[C@H](NC(=O)C(C)C#N)[C@H](C)[C@H]1OC ZINC000356854401 266192799 /nfs/dbraw/zinc/19/27/99/266192799.db2.gz PERSIKJPSKHSOA-WRWGMCAJSA-N 0 3 252.358 2.102 20 30 CEEDHN C=CCN[C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000357406456 266292206 /nfs/dbraw/zinc/29/22/06/266292206.db2.gz WBYYNMPLKBKZLH-INIZCTEOSA-N 0 3 260.381 2.144 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2cnn(C(F)F)c2)CC1 ZINC000357800007 266366064 /nfs/dbraw/zinc/36/60/64/266366064.db2.gz KJKNRZWMVTZNFF-UHFFFAOYSA-N 0 3 299.325 2.050 20 30 CEEDHN C=C[C@H](C)NC(=O)NCc1ccccc1OCCN(C)C ZINC000362379272 266974789 /nfs/dbraw/zinc/97/47/89/266974789.db2.gz KCFQGAKQKXLXHM-ZDUSSCGKSA-N 0 3 291.395 2.001 20 30 CEEDHN CCC[C@](C)(CO)NCc1ccc(C#N)c(OC)c1 ZINC000440819433 267038824 /nfs/dbraw/zinc/03/88/24/267038824.db2.gz JCQOIVNVWZZBOG-OAHLLOKOSA-N 0 3 262.353 2.208 20 30 CEEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1CC(=O)Nc1cccc(C#N)c1 ZINC000399689093 267102840 /nfs/dbraw/zinc/10/28/40/267102840.db2.gz UGWZTHHHZDHXTO-FRRDWIJNSA-N 0 3 271.364 2.473 20 30 CEEDHN C#CCOc1ccc(CN2CC[C@H](c3nccn3C)C2)cc1 ZINC000367701466 267111311 /nfs/dbraw/zinc/11/13/11/267111311.db2.gz KYWZRDCQTMGEAG-INIZCTEOSA-N 0 3 295.386 2.422 20 30 CEEDHN C#CC[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000367885126 267125174 /nfs/dbraw/zinc/12/51/74/267125174.db2.gz JZJAOSVPVSHNAT-ZMSDIMECSA-N 0 3 299.418 2.360 20 30 CEEDHN CC(C)(CCC#N)CNC(=O)C12CCCN1CCC2 ZINC000368217324 267152861 /nfs/dbraw/zinc/15/28/61/267152861.db2.gz XSFOADDMTIYURT-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN C#CC[C@@H](C)NC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000369817826 267268980 /nfs/dbraw/zinc/26/89/80/267268980.db2.gz DMEQSXWJNHRCTP-CABCVRRESA-N 0 3 277.412 2.058 20 30 CEEDHN CN(C)[C@@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000455426687 267288331 /nfs/dbraw/zinc/28/83/31/267288331.db2.gz ZUJCNKNRHQQHGT-MRXNPFEDSA-N 0 3 299.418 2.289 20 30 CEEDHN CN(CC(=O)NCc1cccc(C#N)c1)C1CC(C)(C)C1 ZINC000459742456 267298059 /nfs/dbraw/zinc/29/80/59/267298059.db2.gz OODRNJRSYKJQPS-UHFFFAOYSA-N 0 3 285.391 2.295 20 30 CEEDHN Cn1cc(CNCC2(CC#N)CC2)c(-c2ccncc2)n1 ZINC000370516889 267326177 /nfs/dbraw/zinc/32/61/77/267326177.db2.gz COCGISCHFVZJSJ-UHFFFAOYSA-N 0 3 281.363 2.266 20 30 CEEDHN CC(C)(C#N)CCCN1CCC2(CCOC2=O)CC1 ZINC000371158372 267357035 /nfs/dbraw/zinc/35/70/35/267357035.db2.gz SKDGTXBAJPIDDD-UHFFFAOYSA-N 0 3 264.369 2.345 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C3CC3)C2)CC1 ZINC000371240028 267376924 /nfs/dbraw/zinc/37/69/24/267376924.db2.gz RTJWOGDOSWSEJQ-AWEZNQCLSA-N 0 3 277.412 2.078 20 30 CEEDHN COC(=O)[C@H]1CCN(Cc2ccc(C#N)o2)[C@H]1C(C)C ZINC000430123398 267387974 /nfs/dbraw/zinc/38/79/74/267387974.db2.gz PGBAFPJONJRIGN-KBPBESRZSA-N 0 3 276.336 2.171 20 30 CEEDHN C=C(C)CCNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418237765 267427518 /nfs/dbraw/zinc/42/75/18/267427518.db2.gz DJPKNDRTHWRZAH-HNNXBMFYSA-N 0 3 273.380 2.139 20 30 CEEDHN C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)[C@H](C)CN1CCO ZINC000419010900 267765290 /nfs/dbraw/zinc/76/52/90/267765290.db2.gz YZIUEGTZPCZRSA-VXGBXAGGSA-N 0 3 293.798 2.103 20 30 CEEDHN Cc1ccccc1[C@@H](C)NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000123189302 268005747 /nfs/dbraw/zinc/00/57/47/268005747.db2.gz BEGOIELYDUKUFR-DYVFJYSZSA-N 0 3 285.391 2.454 20 30 CEEDHN CC[C@@H](CC#N)NC1CCN(Cc2cscn2)CC1 ZINC000376925389 268030427 /nfs/dbraw/zinc/03/04/27/268030427.db2.gz DNDMJBLCFYWBRD-LBPRGKRZSA-N 0 3 278.425 2.389 20 30 CEEDHN CC(C)(CCC#N)CNC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000377035408 268042325 /nfs/dbraw/zinc/04/23/25/268042325.db2.gz YXHHHOXKGMUPOO-CQSZACIVSA-N 0 3 292.427 2.196 20 30 CEEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c(C#N)c1C ZINC000459791160 268104490 /nfs/dbraw/zinc/10/44/90/268104490.db2.gz SNKMLOCWRFLAOL-MBNYWOFBSA-N 0 3 287.363 2.485 20 30 CEEDHN Cc1oc(NC(=O)CN[C@@H]2CCC[C@@H]3C[C@@H]32)c(C#N)c1C ZINC000459791160 268104493 /nfs/dbraw/zinc/10/44/93/268104493.db2.gz SNKMLOCWRFLAOL-MBNYWOFBSA-N 0 3 287.363 2.485 20 30 CEEDHN Cn1cc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1C#N ZINC000449448741 268126857 /nfs/dbraw/zinc/12/68/57/268126857.db2.gz AQAOZUXSYOAKOP-BRWVUGGUSA-N 0 3 287.407 2.412 20 30 CEEDHN N#Cc1cc(CNC2(CO)CCSCC2)ccc1F ZINC000459709015 268180038 /nfs/dbraw/zinc/18/00/38/268180038.db2.gz KDXCEIIGDNIVNO-UHFFFAOYSA-N 0 3 280.368 2.045 20 30 CEEDHN CN(C)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000273303903 273792729 /nfs/dbraw/zinc/79/27/29/273792729.db2.gz MDGHEXLIPSNGAT-UHFFFAOYSA-N 0 3 280.169 2.071 20 30 CEEDHN C[C@@H](CO)N1CCCN(c2ccc(Cl)cc2C#N)CC1 ZINC000364951255 274227535 /nfs/dbraw/zinc/22/75/35/274227535.db2.gz FPXSQJBPPGXZSP-LBPRGKRZSA-N 0 3 293.798 2.105 20 30 CEEDHN Cc1cc(N2CCN(C3CCCC3)CC2)cc(C#N)n1 ZINC000308270561 274706706 /nfs/dbraw/zinc/70/67/06/274706706.db2.gz JQMSANYMQQLGHY-UHFFFAOYSA-N 0 3 270.380 2.326 20 30 CEEDHN CN(C)[C@@H](CNc1ccc(C#N)nn1)c1ccccc1 ZINC000301839761 276827845 /nfs/dbraw/zinc/82/78/45/276827845.db2.gz OMBTVRUHSQXINX-AWEZNQCLSA-N 0 3 267.336 2.063 20 30 CEEDHN CC(C)(C#N)CCN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352674532 277120835 /nfs/dbraw/zinc/12/08/35/277120835.db2.gz BSTMSOYYKMZPTK-WDEREUQCSA-N 0 3 278.318 2.419 20 30 CEEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C#N)cc2)C1 ZINC000246925946 277181294 /nfs/dbraw/zinc/18/12/94/277181294.db2.gz WJJMAZPXACEMIN-HOTGVXAUSA-N 0 3 283.375 2.115 20 30 CEEDHN CC(C)(C)[C@@H]1CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000331604718 277232304 /nfs/dbraw/zinc/23/23/04/277232304.db2.gz DNNKAITZDCWPHZ-BBRMVZONSA-N 0 3 277.412 2.305 20 30 CEEDHN CC(C)(O)CN(Cc1cc(C#N)cs1)C1CC1 ZINC000189944362 277314402 /nfs/dbraw/zinc/31/44/02/277314402.db2.gz SKARFLSXRNONSZ-UHFFFAOYSA-N 0 3 250.367 2.355 20 30 CEEDHN C[C@@H](CN1CCOCC1)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271978594 278265204 /nfs/dbraw/zinc/26/52/04/278265204.db2.gz YIPZNEQHQYWHLG-STQMWFEESA-N 0 3 291.370 2.069 20 30 CEEDHN CC1CCN(CCNC(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000333204209 278544684 /nfs/dbraw/zinc/54/46/84/278544684.db2.gz OGLHIZMSJFIVMR-QGZVFWFLSA-N 0 3 289.423 2.309 20 30 CEEDHN C[C@H]1CN(c2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000376211420 279880561 /nfs/dbraw/zinc/88/05/61/279880561.db2.gz OWBOREOPKKRRCX-YJBOKZPZSA-N 0 3 298.434 2.020 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)C2CCCC2)CC1 ZINC000172029839 335089995 /nfs/dbraw/zinc/08/99/95/335089995.db2.gz MGUAWNOBWYYQQK-UHFFFAOYSA-N 0 3 265.401 2.221 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC2(CNC(=O)C2)CC1 ZINC000267630117 290218941 /nfs/dbraw/zinc/21/89/41/290218941.db2.gz GNXOEWUIAPGUQT-CYBMUJFWSA-N 0 3 283.375 2.221 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC(C(=O)N3CCCCC3)CC2)C1 ZINC000335928964 294822987 /nfs/dbraw/zinc/82/29/87/294822987.db2.gz WYDYIAFRQOJMQI-ZBFHGGJFSA-N 0 3 289.423 2.403 20 30 CEEDHN CN1CC=C(CNC(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000541825116 298286044 /nfs/dbraw/zinc/28/60/44/298286044.db2.gz BWGGLCPJZLKZMS-UHFFFAOYSA-N 0 3 289.766 2.203 20 30 CEEDHN C#CCN1CCC(C(=O)NCC2(CCC)CC2)CC1 ZINC000160643676 327635901 /nfs/dbraw/zinc/63/59/01/327635901.db2.gz LHJBVNLIUJUHOW-UHFFFAOYSA-N 0 3 262.397 2.028 20 30 CEEDHN COC[C@H](C)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000189501961 327779648 /nfs/dbraw/zinc/77/96/48/327779648.db2.gz JIQPEGXZJZSKJX-NVXWUHKLSA-N 0 3 287.407 2.151 20 30 CEEDHN CCO[C@H]1C[C@H]1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000577175775 314348772 /nfs/dbraw/zinc/34/87/72/314348772.db2.gz IDIRAEAQDUNOJG-CVEARBPZSA-N 0 3 296.374 2.226 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCC2(CC#N)CC2)CC1 ZINC000331823783 327985266 /nfs/dbraw/zinc/98/52/66/327985266.db2.gz IPAYHTITDWFFEZ-UHFFFAOYSA-N 0 3 290.411 2.020 20 30 CEEDHN C[C@H](C#N)CN(C(=O)C1CCN(C2CC2)CC1)C1CC1 ZINC000338805687 327989964 /nfs/dbraw/zinc/98/99/64/327989964.db2.gz AIPBXJVUFUCONQ-GFCCVEGCSA-N 0 3 275.396 2.011 20 30 CEEDHN C[C@@H](C(=O)N(C)CC#N)N1CCC(Cc2ccccc2)CC1 ZINC000264682136 328161329 /nfs/dbraw/zinc/16/13/29/328161329.db2.gz OPPUVRMUWILXFG-HNNXBMFYSA-N 0 3 299.418 2.312 20 30 CEEDHN N#CCOc1ccc(CN2CCN3CCCC[C@@H]3C2)cc1 ZINC000267399453 328178149 /nfs/dbraw/zinc/17/81/49/328178149.db2.gz ZCVVAAIYAGEVIY-MRXNPFEDSA-N 0 3 285.391 2.259 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](COC)CC1 ZINC000452077113 328217129 /nfs/dbraw/zinc/21/71/29/328217129.db2.gz FPIPJWBQNGPSEJ-CVEARBPZSA-N 0 3 294.439 2.324 20 30 CEEDHN Cc1nnc(CCN[C@H]2CCC[C@@H](C#N)C2)s1 ZINC000289861837 328256554 /nfs/dbraw/zinc/25/65/54/328256554.db2.gz QYSCALNUPSRYQX-MNOVXSKESA-N 0 3 250.371 2.061 20 30 CEEDHN CC(C(=O)Nc1cc(CC#N)ccn1)C(F)(F)F ZINC000531928558 328319136 /nfs/dbraw/zinc/31/91/36/328319136.db2.gz MGUIUMYPPHJJAD-SSDOTTSWSA-N 0 3 257.215 2.285 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000583996345 326837442 /nfs/dbraw/zinc/83/74/42/326837442.db2.gz OXBXIWMPNOGKPS-NUEKZKHPSA-N 0 3 294.439 2.156 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)CNC(C)C ZINC000557699961 327021344 /nfs/dbraw/zinc/02/13/44/327021344.db2.gz DSKZPZPZKHGPEL-UHFFFAOYSA-N 0 3 252.383 2.261 20 30 CEEDHN N#CC1(CCN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)CCCCC1 ZINC000569086614 327033430 /nfs/dbraw/zinc/03/34/30/327033430.db2.gz ZUJUPHFNCWSOIJ-RRFJBIMHSA-N 0 3 289.423 2.436 20 30 CEEDHN COC(=O)c1cc(CN2CCC(CCC#N)CC2)cn1C ZINC000584173244 327057405 /nfs/dbraw/zinc/05/74/05/327057405.db2.gz DCHNJPBJKHGXBD-UHFFFAOYSA-N 0 3 289.379 2.327 20 30 CEEDHN C#CCN(C)CCCNC(=O)C(C)(C)c1ccccc1 ZINC000294030166 327196510 /nfs/dbraw/zinc/19/65/10/327196510.db2.gz RLWODNJNCQNNPX-UHFFFAOYSA-N 0 3 272.392 2.036 20 30 CEEDHN C=C(Br)CNCCCNC(=O)OC(C)(C)C ZINC000168203951 327245420 /nfs/dbraw/zinc/24/54/20/327245420.db2.gz JORGMTZEMBOHIX-UHFFFAOYSA-N 0 3 293.205 2.399 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCOC(C)(C)C1 ZINC000370922360 327277331 /nfs/dbraw/zinc/27/73/31/327277331.db2.gz JEEHXBKEEAWRTP-AWEZNQCLSA-N 0 3 282.428 2.300 20 30 CEEDHN CN(C)[C@H](CNC(=O)C1(C#N)CCC1)c1ccccc1 ZINC000128057145 327415133 /nfs/dbraw/zinc/41/51/33/327415133.db2.gz FHXVWLJWDZWLHQ-CQSZACIVSA-N 0 3 271.364 2.099 20 30 CEEDHN CC(C)(CCC#N)CN[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000352250428 328746991 /nfs/dbraw/zinc/74/69/91/328746991.db2.gz NOEUVBYFIGSBLJ-CYBMUJFWSA-N 0 3 277.343 2.272 20 30 CEEDHN C[C@@H](CC#N)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000359708981 328899003 /nfs/dbraw/zinc/89/90/03/328899003.db2.gz ANJFNWYZIKZAHE-LBPRGKRZSA-N 0 3 290.367 2.051 20 30 CEEDHN CC#CCCN1CCC(C(=O)Nc2nccs2)CC1 ZINC000375176186 329001374 /nfs/dbraw/zinc/00/13/74/329001374.db2.gz NWKYLCNWWCVIFR-UHFFFAOYSA-N 0 3 277.393 2.207 20 30 CEEDHN C=CCOCCN[C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000378545039 329054300 /nfs/dbraw/zinc/05/43/00/329054300.db2.gz NDMBPZGLTVWTIN-QGZVFWFLSA-N 0 3 288.391 2.272 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000171724567 329079173 /nfs/dbraw/zinc/07/91/73/329079173.db2.gz KYPGPASZRCRZEU-AWEZNQCLSA-N 0 3 288.391 2.221 20 30 CEEDHN CN(C)Cc1ccc(CNC(=O)NCCCCC#N)cc1 ZINC000171731207 329079608 /nfs/dbraw/zinc/07/96/08/329079608.db2.gz VDDZDIDPNRXNAR-UHFFFAOYSA-N 0 3 288.395 2.241 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(CCOCC)CCC2)CC1 ZINC000178500466 329199403 /nfs/dbraw/zinc/19/94/03/329199403.db2.gz SCXDIXVSSQKOJQ-UHFFFAOYSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H]1[C@H](C)[C@H](OC)C1(CC)CC ZINC000179792616 329212261 /nfs/dbraw/zinc/21/22/61/329212261.db2.gz NPMOHNNJYPMOPP-XUXIUFHCSA-N 0 3 282.428 2.106 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H](C)[C@H](C)CC)CC1 ZINC000183676659 329249384 /nfs/dbraw/zinc/24/93/84/329249384.db2.gz BEIZHOWKRPWOIS-CHWSQXEVSA-N 0 3 252.402 2.435 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc(-c2ccccc2)n[nH]1 ZINC000184272797 329258482 /nfs/dbraw/zinc/25/84/82/329258482.db2.gz FWMCDQRGQRYXCT-ZDUSSCGKSA-N 0 3 257.337 2.103 20 30 CEEDHN CC#CCNC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000185079508 329267857 /nfs/dbraw/zinc/26/78/57/329267857.db2.gz DPGYHOVEGDCVTQ-QGZVFWFLSA-N 0 3 299.418 2.220 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(C)c(C)c2O)CC1 ZINC000264360410 330061134 /nfs/dbraw/zinc/06/11/34/330061134.db2.gz HOYHUHBTPBKIRK-UHFFFAOYSA-N 0 3 288.391 2.389 20 30 CEEDHN C=CCN(C(=O)NCCN(C)Cc1ccccc1)C1CC1 ZINC000271396427 330079334 /nfs/dbraw/zinc/07/93/34/330079334.db2.gz KVVDDQODTPQQBF-UHFFFAOYSA-N 0 3 287.407 2.478 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2CC)CC1 ZINC000162729997 330110590 /nfs/dbraw/zinc/11/05/90/330110590.db2.gz BZYWSEPCUKANCK-ZFWWWQNUSA-N 0 3 262.397 2.027 20 30 CEEDHN C=CCCN(C)CC(=O)N(C)Cc1cccc(OC)c1 ZINC000276348196 330113036 /nfs/dbraw/zinc/11/30/36/330113036.db2.gz DBFUZVRZIKDWLZ-UHFFFAOYSA-N 0 3 276.380 2.162 20 30 CEEDHN C=CCS(=O)(=O)CCNCC[C@@H](C)c1ccccc1 ZINC000278538175 330117472 /nfs/dbraw/zinc/11/74/72/330117472.db2.gz WQXPFZNFUOKCQY-CQSZACIVSA-N 0 3 281.421 2.371 20 30 CEEDHN C=CCOc1ccc(CNC[C@H](O)CC)cc1OC ZINC000422081099 330120443 /nfs/dbraw/zinc/12/04/43/330120443.db2.gz BZEIVSZCNRXRFC-CYBMUJFWSA-N 0 3 265.353 2.121 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1occc1N)C(C)C ZINC000423350532 330192843 /nfs/dbraw/zinc/19/28/43/330192843.db2.gz XSQAWJXJYKTJSO-AWEZNQCLSA-N 0 3 291.395 2.290 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccccc1N1CCCC1 ZINC000424056822 330218461 /nfs/dbraw/zinc/21/84/61/330218461.db2.gz IDOORMGDHLRDFV-ZDUSSCGKSA-N 0 3 286.379 2.246 20 30 CEEDHN CCN(Cc1cccc(F)c1)C(=O)[C@@H](N)CCCC#N ZINC000424061283 330218925 /nfs/dbraw/zinc/21/89/25/330218925.db2.gz DUPWNSLEIVSFMU-AWEZNQCLSA-N 0 3 277.343 2.195 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000424072960 330220318 /nfs/dbraw/zinc/22/03/18/330220318.db2.gz DOQIPPQRPAYRDQ-IXUJDMMCSA-N 0 3 275.396 2.093 20 30 CEEDHN CN(Cc1ccccc1Cl)C(=O)[C@@H](N)CCCC#N ZINC000424080705 330221824 /nfs/dbraw/zinc/22/18/24/330221824.db2.gz TZYGQFVYDKIOLG-ZDUSSCGKSA-N 0 3 279.771 2.320 20 30 CEEDHN CN(CC1CCCCC1)C(=O)[C@@H](N)CCCC#N ZINC000424080902 330222092 /nfs/dbraw/zinc/22/20/92/330222092.db2.gz JDUXHXJGHGBEGL-ZDUSSCGKSA-N 0 3 251.374 2.046 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000424084045 330222539 /nfs/dbraw/zinc/22/25/39/330222539.db2.gz YBPFUZDHZSMWMF-NSHDSACASA-N 0 3 269.707 2.439 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000424084006 330222623 /nfs/dbraw/zinc/22/26/23/330222623.db2.gz XXJKPFUAYMUPCV-QGZVFWFLSA-N 0 3 299.418 2.489 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCCC1CCCCC1 ZINC000424084675 330222667 /nfs/dbraw/zinc/22/26/67/330222667.db2.gz FEIDQYMOUQIMCP-ZDUSSCGKSA-N 0 3 251.374 2.094 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccsc1 ZINC000424094000 330226265 /nfs/dbraw/zinc/22/62/65/330226265.db2.gz TUKBILBAVPOZFN-OLZOCXBDSA-N 0 3 277.393 2.433 20 30 CEEDHN Cc1ccccc1CC(C)(C)NC(=O)[C@@H](N)CCCC#N ZINC000424113266 330241932 /nfs/dbraw/zinc/24/19/32/330241932.db2.gz MVPWSVXCQQXOPT-HNNXBMFYSA-N 0 3 287.407 2.454 20 30 CEEDHN Cc1ccccc1[C@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424114336 330242871 /nfs/dbraw/zinc/24/28/71/330242871.db2.gz QMGVDUGKMANFEA-HOCLYGCPSA-N 0 3 285.391 2.332 20 30 CEEDHN C[C@@H](C[S@](C)=O)N(C)CCCCC(C)(C)C#N ZINC000399951867 330249113 /nfs/dbraw/zinc/24/91/13/330249113.db2.gz IKCHHSJFOXSEIY-SJCJKPOMSA-N 0 3 258.431 2.405 20 30 CEEDHN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)[C@H](N)CCCC#N ZINC000424122252 330254230 /nfs/dbraw/zinc/25/42/30/330254230.db2.gz IQYPVLSAZZRWHG-DJIMGWMZSA-N 0 3 299.418 2.487 20 30 CEEDHN CC[C@H]1CCCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424123533 330255851 /nfs/dbraw/zinc/25/58/51/330255851.db2.gz LBKWZKIFNYLXHM-QWHCGFSZSA-N 0 3 251.374 2.046 20 30 CEEDHN CC(C)C[C@H]1CCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424125187 330258341 /nfs/dbraw/zinc/25/83/41/330258341.db2.gz NMPPOXKTJQNZHR-KGLIPLIRSA-N 0 3 265.401 2.292 20 30 CEEDHN CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424127829 330259616 /nfs/dbraw/zinc/25/96/16/330259616.db2.gz QVSKBPGZWFSAIH-HZSPNIEDSA-N 0 3 265.401 2.435 20 30 CEEDHN CSc1ccc(F)cc1CNC(=O)[C@@H](N)CCCC#N ZINC000424131092 330262260 /nfs/dbraw/zinc/26/22/60/330262260.db2.gz VOODQTMOQBJGSL-LBPRGKRZSA-N 0 3 295.383 2.185 20 30 CEEDHN Cc1cc(C)cc(C[C@@H](C)NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424131142 330262294 /nfs/dbraw/zinc/26/22/94/330262294.db2.gz VWOAKWSUNSGLGW-ZBFHGGJFSA-N 0 3 287.407 2.372 20 30 CEEDHN CC[C@H](C)[C@@H]1CCCCN1C(=O)[C@@H](N)CCCC#N ZINC000424133278 330265405 /nfs/dbraw/zinc/26/54/05/330265405.db2.gz XHWSUISJOMUPPH-IHRRRGAJSA-N 0 3 265.401 2.435 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000424133610 330266397 /nfs/dbraw/zinc/26/63/97/330266397.db2.gz XNWJEFFBTIYOEZ-ZDUSSCGKSA-N 0 3 291.782 2.466 20 30 CEEDHN CCCc1csc(NC(=O)[C@H](N)CCCC#N)n1 ZINC000424177322 330317557 /nfs/dbraw/zinc/31/75/57/330317557.db2.gz ZTZXZGOIMLGUBX-SNVBAGLBSA-N 0 3 266.370 2.055 20 30 CEEDHN CCCc1cnc(NC(=O)[C@@H](N)CCCC#N)s1 ZINC000424184928 330320269 /nfs/dbraw/zinc/32/02/69/330320269.db2.gz YMTMTPJFOKEBBZ-JTQLQIEISA-N 0 3 266.370 2.055 20 30 CEEDHN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)[C@@H](N)CCCC#N ZINC000424191511 330323896 /nfs/dbraw/zinc/32/38/96/330323896.db2.gz RIEDXBMMVCKACA-VHSXEESVSA-N 0 3 291.317 2.197 20 30 CEEDHN C=C(C)COc1cc(CN[C@@H]2CC[C@H]2O)ccc1OC ZINC000424199298 330326238 /nfs/dbraw/zinc/32/62/38/330326238.db2.gz KKWISGUJJUTNGP-ZIAGYGMSSA-N 0 3 277.364 2.263 20 30 CEEDHN C=CCn1cc(CN[C@H](C)CCC(F)(F)F)nn1 ZINC000424297127 330336371 /nfs/dbraw/zinc/33/63/71/330336371.db2.gz PXPWVCRBWMMATB-SECBINFHSA-N 0 3 262.279 2.285 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCCNC(=O)CCCc2ccccc2)C1 ZINC000424320281 330339960 /nfs/dbraw/zinc/33/99/60/330339960.db2.gz HSXOHYXWIGBTJU-DLBZAZTESA-N 0 3 299.418 2.407 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc3c(n2)CCCC3)CC1 ZINC000442368206 330775416 /nfs/dbraw/zinc/77/54/16/330775416.db2.gz VSKJKLVCYBZYNC-UHFFFAOYSA-N 0 3 299.418 2.341 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCCNC(=O)c2ccccc2Cl)C1 ZINC000442789218 330783671 /nfs/dbraw/zinc/78/36/71/330783671.db2.gz JQJHNDJGJZRTCB-NWDGAFQWSA-N 0 3 291.782 2.352 20 30 CEEDHN C=CCN(CCOC)CCN(C)Cc1ccccc1 ZINC000450840697 331002249 /nfs/dbraw/zinc/00/22/49/331002249.db2.gz YQKVWHGDDQUUDA-UHFFFAOYSA-N 0 3 262.397 2.253 20 30 CEEDHN CCNC(=O)C[C@H]1CCCCN1CC1(C#N)CCC1 ZINC000450938753 331008172 /nfs/dbraw/zinc/00/81/72/331008172.db2.gz JRCXLOVMIWPGJZ-CYBMUJFWSA-N 0 3 263.385 2.061 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N(CCO)C1CCC1 ZINC000451242409 331021719 /nfs/dbraw/zinc/02/17/19/331021719.db2.gz NJBAFCZUIMNOQQ-HNNXBMFYSA-N 0 3 286.375 2.132 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000451595564 331035588 /nfs/dbraw/zinc/03/55/88/331035588.db2.gz DIDVKPLGHWFKDB-BMFZPTHFSA-N 0 3 294.439 2.489 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(CC(C)C)CC(C)C ZINC000451599930 331035645 /nfs/dbraw/zinc/03/56/45/331035645.db2.gz PUHXTEKQUINUES-CABCVRRESA-N 0 3 282.428 2.060 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NCCC1CCCCC1 ZINC000451603969 331036037 /nfs/dbraw/zinc/03/60/37/331036037.db2.gz DZZZIIUJWLPQGQ-CABCVRRESA-N 0 3 280.412 2.006 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1c(C)cc(C)cc1C ZINC000451605268 331036331 /nfs/dbraw/zinc/03/63/31/331036331.db2.gz JDYUYOCMTNUCJE-CABCVRRESA-N 0 3 288.391 2.483 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000451677758 331038594 /nfs/dbraw/zinc/03/85/94/331038594.db2.gz VOFPWVNYTRLKMT-WCVJEAGWSA-N 0 3 294.439 2.347 20 30 CEEDHN C=CCOCCCN1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451886622 331046316 /nfs/dbraw/zinc/04/63/16/331046316.db2.gz YVJWOEVSJKDZFX-ZDUSSCGKSA-N 0 3 294.361 2.395 20 30 CEEDHN Cc1ncccc1NC(=O)[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000453421593 331130632 /nfs/dbraw/zinc/13/06/32/331130632.db2.gz DRRBKTAKUJTAJX-MELADBBJSA-N 0 3 286.379 2.389 20 30 CEEDHN C=C(C)CCNC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000454520469 331147853 /nfs/dbraw/zinc/14/78/53/331147853.db2.gz XIBQLKXWYGWAPH-UONOGXRCSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCCC(C)(F)F)CC1 ZINC000454533374 331148146 /nfs/dbraw/zinc/14/81/46/331148146.db2.gz CPKCSXYNQXCIOM-UHFFFAOYSA-N 0 3 289.370 2.371 20 30 CEEDHN C=C(CC)CNC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000454615693 331149930 /nfs/dbraw/zinc/14/99/30/331149930.db2.gz VNWUTMKPXLVSHN-ZDUSSCGKSA-N 0 3 255.406 2.228 20 30 CEEDHN C=C(C)CCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000455311340 331165443 /nfs/dbraw/zinc/16/54/43/331165443.db2.gz NUOXHEGBJJDSOC-CQSZACIVSA-N 0 3 265.401 2.222 20 30 CEEDHN C=CCN(CC(F)(F)F)C(=O)C1CCN(C2CC2)CC1 ZINC000195374649 331172649 /nfs/dbraw/zinc/17/26/49/331172649.db2.gz RPUZVCDGKRCYPH-UHFFFAOYSA-N 0 3 290.329 2.438 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)Nc2cccc(CC#N)c2)CCCN1C ZINC000455904009 331180230 /nfs/dbraw/zinc/18/02/30/331180230.db2.gz JEPHAVPUHKMPSY-DOMZBBRYSA-N 0 3 286.379 2.357 20 30 CEEDHN CC[C@H](C(=O)N[C@H]1CC[C@@H](CC#N)C1)N(CC)CC ZINC000456053967 331183470 /nfs/dbraw/zinc/18/34/70/331183470.db2.gz UHKKGANGWBBWBK-MELADBBJSA-N 0 3 265.401 2.305 20 30 CEEDHN C=C(C)CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000458993016 331264873 /nfs/dbraw/zinc/26/48/73/331264873.db2.gz DZGQSCFCHADNMW-RBSFLKMASA-N 0 3 279.428 2.324 20 30 CEEDHN C=CCOCCN(C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459822555 331302223 /nfs/dbraw/zinc/30/22/23/331302223.db2.gz HXHQGUNJTLVFND-LBPRGKRZSA-N 0 3 257.374 2.099 20 30 CEEDHN C=CCCCCCN(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000488440477 332008565 /nfs/dbraw/zinc/00/85/65/332008565.db2.gz JHSMVMHVESENEN-ZDUSSCGKSA-N 0 3 259.415 2.099 20 30 CEEDHN C=CCn1cccc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000488870887 332030434 /nfs/dbraw/zinc/03/04/34/332030434.db2.gz UIQBKLUOSNNYEB-OAHLLOKOSA-N 0 3 287.407 2.375 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C1(C)CCCC1 ZINC000489829600 332069653 /nfs/dbraw/zinc/06/96/53/332069653.db2.gz LGQPUOXIVXHMIN-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCCCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000490355683 332087376 /nfs/dbraw/zinc/08/73/76/332087376.db2.gz VZFWFUMKZMIECO-SOUVJXGZSA-N 0 3 279.428 2.324 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000490594871 332094276 /nfs/dbraw/zinc/09/42/76/332094276.db2.gz WIPKIQPKQRYKKU-FOLVSLTJSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCN1CCC(C(=O)NC(C)(C)c2cccs2)CC1 ZINC000490651211 332099841 /nfs/dbraw/zinc/09/98/41/332099841.db2.gz RKKXMOBWQNNPRG-UHFFFAOYSA-N 0 3 290.432 2.445 20 30 CEEDHN C#C[C@@H](C)N(C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000490719910 332108675 /nfs/dbraw/zinc/10/86/75/332108675.db2.gz PDCZVERFHAJXNF-LLVKDONJSA-N 0 3 274.755 2.374 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cnc3c(c2)CCCC3)CC1 ZINC000490935275 332130987 /nfs/dbraw/zinc/13/09/87/332130987.db2.gz MAAKXAJAVWKXFN-UHFFFAOYSA-N 0 3 297.402 2.244 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc3cc[nH]c32)CC1 ZINC000491043486 332142140 /nfs/dbraw/zinc/14/21/40/332142140.db2.gz CFRDADDZRIBCAO-UHFFFAOYSA-N 0 3 281.359 2.452 20 30 CEEDHN C#CCNC(=O)C1CCN(CCCc2ccsc2)CC1 ZINC000491067908 332144620 /nfs/dbraw/zinc/14/46/20/332144620.db2.gz LFNYXHFCEDXMNY-UHFFFAOYSA-N 0 3 290.432 2.142 20 30 CEEDHN C#CCNC(=O)C1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000491100298 332149951 /nfs/dbraw/zinc/14/99/51/332149951.db2.gz GGNOGFHIEAJWOB-CYBMUJFWSA-N 0 3 288.366 2.348 20 30 CEEDHN C#CCNC(=O)C1CCN(Cc2cc(C)sc2C)CC1 ZINC000491153790 332157455 /nfs/dbraw/zinc/15/74/55/332157455.db2.gz DHXMNUQZBQEXCW-UHFFFAOYSA-N 0 3 290.432 2.326 20 30 CEEDHN C#CCN(C(=O)C[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000491264941 332176785 /nfs/dbraw/zinc/17/67/85/332176785.db2.gz IVNVGHKWYKXEBT-INIZCTEOSA-N 0 3 270.376 2.304 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C1CC1)C1CCCC1 ZINC000491373509 332199517 /nfs/dbraw/zinc/19/95/17/332199517.db2.gz NGAMHSONEAHQMF-UHFFFAOYSA-N 0 3 277.412 2.058 20 30 CEEDHN C#C[C@H](NCc1ccc(OCC(=O)OCC)cc1)C(C)C ZINC000491465680 332217036 /nfs/dbraw/zinc/21/70/36/332217036.db2.gz XETHTDQIMWQYQH-INIZCTEOSA-N 0 3 289.375 2.376 20 30 CEEDHN C[C@@H](C#N)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000335660088 335096050 /nfs/dbraw/zinc/09/60/50/335096050.db2.gz CUCMQUUZMJAPOP-LSDHHAIUSA-N 0 3 285.391 2.269 20 30 CEEDHN C#C[C@@H](CC)NCc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000491662359 332271817 /nfs/dbraw/zinc/27/18/17/332271817.db2.gz BQAHEAJKCNRSSO-JSGCOSHPSA-N 0 3 275.348 2.128 20 30 CEEDHN C#CCN(C(=O)NCCN1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000491681938 332284946 /nfs/dbraw/zinc/28/49/46/332284946.db2.gz OZKGUVZEXBSJKY-OKILXGFUSA-N 0 3 277.412 2.057 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](C)OC1CCCCCC1 ZINC000491710906 332302460 /nfs/dbraw/zinc/30/24/60/332302460.db2.gz UCTMKOVCGOIATO-HNNXBMFYSA-N 0 3 294.439 2.186 20 30 CEEDHN C#CCN(C)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000491713040 332304242 /nfs/dbraw/zinc/30/42/42/332304242.db2.gz YSVLMLBDLXHFEI-QGZVFWFLSA-N 0 3 299.418 2.098 20 30 CEEDHN C#CCN(C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000491744460 332322515 /nfs/dbraw/zinc/32/25/15/332322515.db2.gz ZIFDPXGQLDWAGI-HOCLYGCPSA-N 0 3 285.391 2.097 20 30 CEEDHN C#C[C@H](C)N(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000491748897 332325922 /nfs/dbraw/zinc/32/59/22/332325922.db2.gz RWTOIMCIRITUQO-NSHDSACASA-N 0 3 289.766 2.494 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000491757847 332330295 /nfs/dbraw/zinc/33/02/95/332330295.db2.gz GABHTPPZLFRZDN-ZBFHGGJFSA-N 0 3 287.407 2.261 20 30 CEEDHN C#C[C@@H](NCc1ccc2c(c1)sc(=O)n2C)C(C)C ZINC000491808565 332361490 /nfs/dbraw/zinc/36/14/90/332361490.db2.gz WJYNIBYWZPONAB-GFCCVEGCSA-N 0 3 274.389 2.347 20 30 CEEDHN C=CCC[C@H](O)CN[C@@H](CO)c1sccc1C ZINC000494657009 332481989 /nfs/dbraw/zinc/48/19/89/332481989.db2.gz RIELQZXWTDTHKM-RYUDHWBXSA-N 0 3 255.383 2.007 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)NCCN1CCC(C)CC1 ZINC000494723225 332484681 /nfs/dbraw/zinc/48/46/81/332484681.db2.gz UQZIPYLCUMCLGP-OAHLLOKOSA-N 0 3 279.428 2.468 20 30 CEEDHN C=C1CCN(C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000497074171 332569186 /nfs/dbraw/zinc/56/91/86/332569186.db2.gz UDLFTCFAUHYYBN-INIZCTEOSA-N 0 3 298.427 2.256 20 30 CEEDHN C[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)N1CCCC1 ZINC000521779356 333187406 /nfs/dbraw/zinc/18/74/06/333187406.db2.gz YARMYUORQJNVLA-CZUORRHYSA-N 0 3 275.396 2.061 20 30 CEEDHN CCc1noc(C2CCC(NC[C@H](C)C#N)CC2)n1 ZINC000133040100 334014284 /nfs/dbraw/zinc/01/42/84/334014284.db2.gz NZGPGTXWMGCLEG-VOMCLLRMSA-N 0 3 262.357 2.407 20 30 CEEDHN C=CCC[C@@H](O)CN1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000133091605 334016050 /nfs/dbraw/zinc/01/60/50/334016050.db2.gz RAIMFYUYCMZBEF-UONOGXRCSA-N 0 3 298.427 2.255 20 30 CEEDHN C=CCN(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000249277672 334330994 /nfs/dbraw/zinc/33/09/94/334330994.db2.gz NELKFQSJXSNQMS-GOEBONIOSA-N 0 3 287.407 2.334 20 30 CEEDHN C[C@H](CC[S@](C)=O)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000252743276 334389264 /nfs/dbraw/zinc/38/92/64/334389264.db2.gz PHMZGKPYXFNXKT-IZDJOXEWSA-N 0 3 294.420 2.397 20 30 CEEDHN Cc1cc([C@H](C)NC[C@@H](O)CN(C)CCC#N)c(C)s1 ZINC000555880281 334490927 /nfs/dbraw/zinc/49/09/27/334490927.db2.gz JTWHOLDYRSAIMF-GXTWGEPZSA-N 0 3 295.452 2.222 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCCC2(C)C)CC1 ZINC000157020936 334756569 /nfs/dbraw/zinc/75/65/69/334756569.db2.gz GOOSOVDRZAHZLW-OAHLLOKOSA-N 0 3 276.424 2.417 20 30 CEEDHN CC[C@H](CC#N)NCC(C)CN[C@H](CC)CC#N ZINC000580566957 335283459 /nfs/dbraw/zinc/28/34/59/335283459.db2.gz KTBVNURIUNZFRO-ZIAGYGMSSA-N 0 3 250.390 2.186 20 30 CEEDHN C[C@@H]1CN(C(=O)NCC(C)(C)CC#N)CCN(C2CC2)C1 ZINC000581117133 336010635 /nfs/dbraw/zinc/01/06/35/336010635.db2.gz DANYSAXGWJPMAE-ZDUSSCGKSA-N 0 3 292.427 2.052 20 30 CEEDHN C#CCN(C)CCCNC(=O)CC1CCCCC1 ZINC000385598975 336152612 /nfs/dbraw/zinc/15/26/12/336152612.db2.gz KRXOPHDVDCKHPD-UHFFFAOYSA-N 0 3 250.386 2.028 20 30 CEEDHN COc1ccc(Cl)cc1CN(C)C(=O)C(C)C#N ZINC000345820640 533846812 /nfs/dbraw/zinc/84/68/12/533846812.db2.gz UZXWCALCGKCLLF-VIFPVBQESA-N 0 3 266.728 2.467 20 30 CEEDHN COc1ccc(F)cc1[C@@H](C)NC(=O)C(C)C#N ZINC000347072320 533957404 /nfs/dbraw/zinc/95/74/04/533957404.db2.gz PXGTVIMJIWWTEC-DTWKUNHWSA-N 0 3 250.273 2.171 20 30 CEEDHN Cc1cc(CN)cc(NC(=O)C2(C#N)CCCC2)c1 ZINC000334771440 534172224 /nfs/dbraw/zinc/17/22/24/534172224.db2.gz URHPFVQCKCLLCN-UHFFFAOYSA-N 0 3 257.337 2.476 20 30 CEEDHN CC(C#N)C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000347031629 534283540 /nfs/dbraw/zinc/28/35/40/534283540.db2.gz FELBLYPFKOJXBE-GFCCVEGCSA-N 0 3 294.358 2.137 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000067144265 518268970 /nfs/dbraw/zinc/26/89/70/518268970.db2.gz OGXHPTFIMZKCPP-UHFFFAOYSA-N 0 3 285.391 2.036 20 30 CEEDHN C=CCCC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000067204696 518694989 /nfs/dbraw/zinc/69/49/89/518694989.db2.gz VGBAEKMZUJJDPJ-CQSZACIVSA-N 0 3 258.365 2.472 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccon1)C(C)C ZINC000183527838 518772952 /nfs/dbraw/zinc/77/29/52/518772952.db2.gz AYJMRKNUTLLFJY-CYBMUJFWSA-N 0 3 292.383 2.495 20 30 CEEDHN CC1CCN(CCNC(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000278785803 521014082 /nfs/dbraw/zinc/01/40/82/521014082.db2.gz HUNXQLMZSJJDBX-UHFFFAOYSA-N 0 3 289.354 2.159 20 30 CEEDHN N#C[C@H]1CCC[C@H]1NC1CCN(c2nccs2)CC1 ZINC000331918499 534751058 /nfs/dbraw/zinc/75/10/58/534751058.db2.gz LNHPDIPGEYHQNY-DGCLKSJQSA-N 0 3 276.409 2.394 20 30 CEEDHN C=CCN(CCOC)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000347257892 526301150 /nfs/dbraw/zinc/30/11/50/526301150.db2.gz XCMXMWDJOHGVTG-HNNXBMFYSA-N 0 3 283.799 2.378 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000333603174 526444459 /nfs/dbraw/zinc/44/44/59/526444459.db2.gz VOKDQHZCOSBMAP-QGZVFWFLSA-N 0 3 287.407 2.227 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C2CCC(F)(F)CC2)C1=O ZINC000347580002 526467730 /nfs/dbraw/zinc/46/77/30/526467730.db2.gz MFJNFDRCYAFFCG-GFCCVEGCSA-N 0 3 272.339 2.283 20 30 CEEDHN N#Cc1ccccc1/C=C/C(=O)N1CCCN(C2CC2)CC1 ZINC000061604966 526733465 /nfs/dbraw/zinc/73/34/65/526733465.db2.gz ZRHZKUHHYWZNMC-RMKNXTFCSA-N 0 3 295.386 2.268 20 30 CEEDHN C=CCOc1ccc(CN2CCC[C@@H](OCCO)C2)cc1 ZINC000353531001 526867225 /nfs/dbraw/zinc/86/72/25/526867225.db2.gz NTNZDIZSMHCWQR-QGZVFWFLSA-N 0 3 291.391 2.225 20 30 CEEDHN C=C(CNC(=O)N1C[C@H](C)NC[C@@H]1C)c1ccccc1 ZINC000334927826 526869530 /nfs/dbraw/zinc/86/95/30/526869530.db2.gz HKTYXXSOFIUPEL-KBPBESRZSA-N 0 3 273.380 2.092 20 30 CEEDHN C=CC1CCN(C(=O)[C@H]2CCCN2CCC)CC1 ZINC000347833412 526973630 /nfs/dbraw/zinc/97/36/30/526973630.db2.gz PHJNZKFYHJIGPB-CQSZACIVSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CC[C@@H](CC)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000354780468 527055203 /nfs/dbraw/zinc/05/52/03/527055203.db2.gz GXABKSWCVQZPFR-KGLIPLIRSA-N 0 3 257.337 2.029 20 30 CEEDHN C=CCCCCNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000353310203 527153673 /nfs/dbraw/zinc/15/36/73/527153673.db2.gz XOVGFMWMUHFEKG-KGLIPLIRSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000353796879 527287537 /nfs/dbraw/zinc/28/75/37/527287537.db2.gz JFIVVASKFBTICR-KKUMJFAQSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000417989937 527289423 /nfs/dbraw/zinc/28/94/23/527289423.db2.gz UCGLVEOCMYKGAG-XQQFMLRXSA-N 0 3 253.390 2.123 20 30 CEEDHN C=CCCC[C@H](C)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000344471657 527296901 /nfs/dbraw/zinc/29/69/01/527296901.db2.gz WAEOGAWMWDNWKA-WFASDCNBSA-N 0 3 271.364 2.419 20 30 CEEDHN C=CCn1c(C2CC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000350805339 527306643 /nfs/dbraw/zinc/30/66/43/527306643.db2.gz ZTSJTOFOLBMIEO-STQMWFEESA-N 0 3 289.427 2.260 20 30 CEEDHN C=CCC[C@H](N[C@@H]1CCN(C(C)=O)C1)c1ccco1 ZINC000353611696 527487085 /nfs/dbraw/zinc/48/70/85/527487085.db2.gz DWORWTFOEXHKPS-KGLIPLIRSA-N 0 3 262.353 2.497 20 30 CEEDHN C=C[C@](C)(O)CC(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000354885115 527631840 /nfs/dbraw/zinc/63/18/40/527631840.db2.gz MYGBCRGJKKOXLJ-KRWDZBQOSA-N 0 3 294.439 2.108 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000344484368 527637347 /nfs/dbraw/zinc/63/73/47/527637347.db2.gz NJZHNFFYINZNNL-BYNSBNAKSA-N 0 3 294.439 2.225 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C)[C@@H](C)C1 ZINC000347580338 528854007 /nfs/dbraw/zinc/85/40/07/528854007.db2.gz LOSOFGVPTPRZTE-HLPPOEQASA-N 0 3 279.428 2.407 20 30 CEEDHN CCC[C@@H](C)[C@H]1CCCN1CC(=O)NC1(C#N)CCC1 ZINC000347057516 528905891 /nfs/dbraw/zinc/90/58/91/528905891.db2.gz PCQXEVFFBZJMSD-ZIAGYGMSSA-N 0 3 277.412 2.449 20 30 CEEDHN CC(C)N1CCC[C@@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC000329985246 529009449 /nfs/dbraw/zinc/00/94/49/529009449.db2.gz QXPBAWBDLXXDDE-SECBINFHSA-N 0 3 269.370 2.026 20 30 CEEDHN COc1ccc(O[C@H](C)CNCc2cc(C#N)n(C)c2)cc1 ZINC000191224513 536863338 /nfs/dbraw/zinc/86/33/38/536863338.db2.gz CGWUSOXHYSAFGJ-CYBMUJFWSA-N 0 3 299.374 2.462 20 30 CEEDHN C#Cc1ccc(C(=O)N(CCN(C)C)c2ccccc2)nc1 ZINC000728820147 574471237 /nfs/dbraw/zinc/47/12/37/574471237.db2.gz AXODEHHSMMGLQY-UHFFFAOYSA-N 0 3 293.370 2.271 20 30 CEEDHN CC(=NNCC(F)F)c1ccc(OCCN(C)C)cc1 ZINC000740617136 574472873 /nfs/dbraw/zinc/47/28/73/574472873.db2.gz CJGCAGYMUKEFJI-UHFFFAOYSA-N 0 3 285.338 2.206 20 30 CEEDHN C=CCN1CCC(/N=C/c2c(O)cccc2OC)CC1 ZINC000729936102 574496719 /nfs/dbraw/zinc/49/67/19/574496719.db2.gz GPAYBASYFDJIBC-SFQUDFHCSA-N 0 3 274.364 2.470 20 30 CEEDHN C#CCOc1ccccc1CN[C@H](C)Cc1cnccn1 ZINC000730940328 574584359 /nfs/dbraw/zinc/58/43/59/574584359.db2.gz MJPUHOXLXVXRDZ-CQSZACIVSA-N 0 3 281.359 2.209 20 30 CEEDHN C=C(C)CNC(=S)N(C)[C@H]1CCN(CC)C[C@H]1C ZINC000741488697 574600691 /nfs/dbraw/zinc/60/06/91/574600691.db2.gz MDLJCBWHWWZMHP-OLZOCXBDSA-N 0 3 269.458 2.099 20 30 CEEDHN C=CCN(C(=O)NC[C@@H]1CCCCN1CC)C(C)C ZINC000732472030 574622051 /nfs/dbraw/zinc/62/20/51/574622051.db2.gz VQBBGTNRMDOWEQ-AWEZNQCLSA-N 0 3 267.417 2.467 20 30 CEEDHN CC(C)OC(=O)N1CCC(NC[C@H](C#N)CCC#N)CC1 ZINC000732987167 574638070 /nfs/dbraw/zinc/63/80/70/574638070.db2.gz VXSYJYGEKMZRTF-ZDUSSCGKSA-N 0 3 292.383 2.029 20 30 CEEDHN C#Cc1ccc(C(=O)NCCN2CCCC[C@H]2CC)nc1 ZINC000733273159 574660767 /nfs/dbraw/zinc/66/07/67/574660767.db2.gz OJHDTKOLBSDLMN-OAHLLOKOSA-N 0 3 285.391 2.057 20 30 CEEDHN C=CC[C@H](C)NC(=O)NC[C@H](C)N1CCCCC1 ZINC000735187235 574746797 /nfs/dbraw/zinc/74/67/97/574746797.db2.gz MMIPHNHDLUMFOT-STQMWFEESA-N 0 3 253.390 2.125 20 30 CEEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000735205467 574747413 /nfs/dbraw/zinc/74/74/13/574747413.db2.gz CAXYOLDKEFHFNU-MEQVVJDKSA-N 0 3 257.293 2.085 20 30 CEEDHN C=CCCOCC(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000735210731 574747719 /nfs/dbraw/zinc/74/77/19/574747719.db2.gz XZFIIQFIVDPYLC-MRXNPFEDSA-N 0 3 289.375 2.397 20 30 CEEDHN C=CCCC[N@@H+](C)CCOc1ccccc1-c1nnn[n-]1 ZINC000735412474 574755336 /nfs/dbraw/zinc/75/53/36/574755336.db2.gz CJKURLQOKTWMGN-UHFFFAOYSA-N 0 3 287.367 2.144 20 30 CEEDHN C=CCCC[N@H+](C)CCOc1ccccc1-c1nnn[n-]1 ZINC000735412474 574755337 /nfs/dbraw/zinc/75/53/37/574755337.db2.gz CJKURLQOKTWMGN-UHFFFAOYSA-N 0 3 287.367 2.144 20 30 CEEDHN C=CCCC[N@@H+](C)CCOc1ccccc1-c1nn[n-]n1 ZINC000735412474 574755339 /nfs/dbraw/zinc/75/53/39/574755339.db2.gz CJKURLQOKTWMGN-UHFFFAOYSA-N 0 3 287.367 2.144 20 30 CEEDHN C=CCCC[N@H+](C)CCOc1ccccc1-c1nn[n-]n1 ZINC000735412474 574755341 /nfs/dbraw/zinc/75/53/41/574755341.db2.gz CJKURLQOKTWMGN-UHFFFAOYSA-N 0 3 287.367 2.144 20 30 CEEDHN C=CC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735409605 574757176 /nfs/dbraw/zinc/75/71/76/574757176.db2.gz GRDVQILJDSJSLU-UHFFFAOYSA-N 0 3 269.352 2.265 20 30 CEEDHN C=CC1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735409605 574757179 /nfs/dbraw/zinc/75/71/79/574757179.db2.gz GRDVQILJDSJSLU-UHFFFAOYSA-N 0 3 269.352 2.265 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000736669033 574794267 /nfs/dbraw/zinc/79/42/67/574794267.db2.gz QYXKZCKDLDLLFF-GFCCVEGCSA-N 0 3 271.364 2.403 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000736671762 574794416 /nfs/dbraw/zinc/79/44/16/574794416.db2.gz GKFDCYZOJQXECA-RYUDHWBXSA-N 0 3 295.383 2.052 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@H]2CCOC2)c1 ZINC000740529471 574958172 /nfs/dbraw/zinc/95/81/72/574958172.db2.gz PUMQLFSJJFYRBW-TZMCWYRMSA-N 0 3 286.331 2.069 20 30 CEEDHN C#CCCN1CCC(NC(=O)[C@@H](C)CCC)CC1 ZINC000740737300 574967189 /nfs/dbraw/zinc/96/71/89/574967189.db2.gz KHRADWGSRZWYPQ-ZDUSSCGKSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CCCN1CCC(NC(=O)C[C@H](C)CCC)CC1 ZINC000740738608 574967278 /nfs/dbraw/zinc/96/72/78/574967278.db2.gz ISRJGFGLOKMNKZ-CQSZACIVSA-N 0 3 264.413 2.417 20 30 CEEDHN CCCCCCCN(C)C[C@H]1CCS(=O)(=O)C1 ZINC000740889213 574970876 /nfs/dbraw/zinc/97/08/76/574970876.db2.gz ZTFFDFFSUSOQSU-CYBMUJFWSA-N 0 3 261.431 2.323 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1NC(=S)NN=C1CCN(C)[C@@H](C)C1 ZINC000741457523 574987619 /nfs/dbraw/zinc/98/76/19/574987619.db2.gz VZSNCBOKPJJTNK-DYEKYZERSA-N 0 3 296.484 2.499 20 30 CEEDHN C[C@H]1CC(=NNC(=N)N)c2cccc(Br)c21 ZINC000743418005 575053124 /nfs/dbraw/zinc/05/31/24/575053124.db2.gz SRIZFFUCXBPSRX-LURJTMIESA-N 0 3 281.157 2.143 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2scnc2Cl)CC1 ZINC000743490405 575105081 /nfs/dbraw/zinc/10/50/81/575105081.db2.gz PGRNKKXUHMECKI-UHFFFAOYSA-N 0 3 297.811 2.014 20 30 CEEDHN CC(N=Nc1ncccn1)c1cccc(OCCN(C)C)c1 ZINC000743531056 575105936 /nfs/dbraw/zinc/10/59/36/575105936.db2.gz CBQDQHRRPMFKJF-UHFFFAOYSA-N 0 3 299.378 2.253 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@H](SC)C2)CC1 ZINC000743626795 575107648 /nfs/dbraw/zinc/10/76/48/575107648.db2.gz NKNBRILRRCKBGN-KGLIPLIRSA-N 0 3 297.468 2.220 20 30 CEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C=CC1CC1 ZINC000744033749 575112486 /nfs/dbraw/zinc/11/24/86/575112486.db2.gz WRMNSNUERHLAQB-JLVNDZCYSA-N 0 3 284.315 2.309 20 30 CEEDHN CCCN(CC(=O)NCCC#N)[C@H]1CCc2ccccc21 ZINC000746145128 575149435 /nfs/dbraw/zinc/14/94/35/575149435.db2.gz JVKHUOSMSPPRLR-INIZCTEOSA-N 0 3 285.391 2.416 20 30 CEEDHN COc1ccccc1CC(=Nn1cnnc1)C(C)C ZINC000748245900 575181009 /nfs/dbraw/zinc/18/10/09/575181009.db2.gz FYXFFHHVBSGXOB-UHFFFAOYSA-N 0 3 258.325 2.390 20 30 CEEDHN CC[C@@](C)(CC(=O)OC)NCc1cccc(C#N)c1 ZINC000748245817 575181012 /nfs/dbraw/zinc/18/10/12/575181012.db2.gz DTIZNAXSDZBWIB-HNNXBMFYSA-N 0 3 260.337 2.380 20 30 CEEDHN CC[C@](C)(CC(=O)OC)NCc1cccc(C#N)c1 ZINC000748245818 575181070 /nfs/dbraw/zinc/18/10/70/575181070.db2.gz DTIZNAXSDZBWIB-OAHLLOKOSA-N 0 3 260.337 2.380 20 30 CEEDHN N#Cc1ccc(CNCCOc2cccnc2)s1 ZINC000749110935 575205514 /nfs/dbraw/zinc/20/55/14/575205514.db2.gz UTZCGEXPQMJMTK-UHFFFAOYSA-N 0 3 259.334 2.183 20 30 CEEDHN C#CCCCNc1cc(NCCCC#C)nc(C)n1 ZINC000751895471 575300350 /nfs/dbraw/zinc/30/03/50/575300350.db2.gz ZPHFESYCNHXVON-UHFFFAOYSA-N 0 3 256.353 2.436 20 30 CEEDHN Cc1nnc(C)n1N=C[C@@H]1CCOc2ccccc21 ZINC000752163178 575306321 /nfs/dbraw/zinc/30/63/21/575306321.db2.gz RFQWKILGUHKOSW-LBPRGKRZSA-N 0 3 256.309 2.295 20 30 CEEDHN C=CC1CC[NH+](Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000823888561 608697215 /nfs/dbraw/zinc/69/72/15/608697215.db2.gz QISAXEWRMBXVSQ-UHFFFAOYSA-N 0 3 275.381 2.326 20 30 CEEDHN C=CC1CC[NH+](Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000823888561 608697216 /nfs/dbraw/zinc/69/72/16/608697216.db2.gz QISAXEWRMBXVSQ-UHFFFAOYSA-N 0 3 275.381 2.326 20 30 CEEDHN C=C(C)C[N@H+](C)CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823877709 609370905 /nfs/dbraw/zinc/37/09/05/609370905.db2.gz DELOZRLATGOSAZ-UHFFFAOYSA-N 0 3 287.367 2.144 20 30 CEEDHN C=C(C)C[N@@H+](C)CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823877709 609370907 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C=CCCN1CCC[C@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001007916960 628152784 /nfs/dbraw/zinc/15/27/84/628152784.db2.gz ATRILZNKZAEIOP-ZDUSSCGKSA-N 0 3 298.390 2.333 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccsc2)C1 ZINC001006646498 628283372 /nfs/dbraw/zinc/28/33/72/628283372.db2.gz VFULPTRENMZDHH-AWEZNQCLSA-N 0 3 278.421 2.447 20 30 CEEDHN C#CC[C@@H](CO)NCc1cccc(OC2CCCC2)c1 ZINC000821207128 634655861 /nfs/dbraw/zinc/65/58/61/634655861.db2.gz KUVRNGJIYCHETA-HNNXBMFYSA-N 0 3 273.376 2.482 20 30 CEEDHN C#CC[C@H](CO)NCc1cccc(OC2CCCC2)c1 ZINC000821207129 634656070 /nfs/dbraw/zinc/65/60/70/634656070.db2.gz KUVRNGJIYCHETA-OAHLLOKOSA-N 0 3 273.376 2.482 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N(C)[C@@H]2CCCN(C)C2)c1 ZINC000931701678 628798675 /nfs/dbraw/zinc/79/86/75/628798675.db2.gz YSICAVQFWPONKW-OAHLLOKOSA-N 0 3 286.379 2.425 20 30 CEEDHN C[C@@]1(Br)C[C@H]1CNCc1ccc(C#N)cn1 ZINC000893868832 629022208 /nfs/dbraw/zinc/02/22/08/629022208.db2.gz OMRPUBSOBVCWFM-CMPLNLGQSA-N 0 3 280.169 2.216 20 30 CEEDHN Cc1c(Cl)cnc(N2CC[C@H]3CN(C)C[C@H]32)c1C#N ZINC000893938487 629054163 /nfs/dbraw/zinc/05/41/63/629054163.db2.gz DAUFVXHLEVMTJQ-GXFFZTMASA-N 0 3 276.771 2.055 20 30 CEEDHN CC(C)(O)C(C)(C)CNCc1cc(C#N)cnc1Cl ZINC000877575254 629203974 /nfs/dbraw/zinc/20/39/74/629203974.db2.gz MALGIDUDQFRBIL-UHFFFAOYSA-N 0 3 281.787 2.493 20 30 CEEDHN C=CCCC[C@@H]1NC(=O)N(C[C@@H]2CCN2C(C)(C)C)C1=O ZINC000924978316 629316743 /nfs/dbraw/zinc/31/67/43/629316743.db2.gz GHHIUPYWAZGESJ-STQMWFEESA-N 0 3 293.411 2.136 20 30 CEEDHN C#C[C@@H](NC1CCN(C=O)CC1)c1ccc(Cl)cc1 ZINC000894554002 629531591 /nfs/dbraw/zinc/53/15/91/629531591.db2.gz WKYKPMYFNORUGM-OAHLLOKOSA-N 0 3 276.767 2.225 20 30 CEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1 ZINC000928449444 629690125 /nfs/dbraw/zinc/69/01/25/629690125.db2.gz GAYKHTANZJCRLA-IUODEOHRSA-N 0 3 274.364 2.074 20 30 CEEDHN CC[C@H](C)CON=C1CCN(CCC(=O)OC)CC1 ZINC000793147175 629781933 /nfs/dbraw/zinc/78/19/33/629781933.db2.gz ZXOHKTCPMBDBCU-LBPRGKRZSA-N 0 3 270.373 2.064 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2ccc(CC#N)cc2)[C@H]1OC ZINC000895091643 629885736 /nfs/dbraw/zinc/88/57/36/629885736.db2.gz XOZVOBXYEQYMMN-BZUAXINKSA-N 0 3 274.364 2.035 20 30 CEEDHN COC(=O)CCCN1CCC(=NNCC2CCCC2)CC1 ZINC000808006359 629914326 /nfs/dbraw/zinc/91/43/26/629914326.db2.gz RPDJJNWLDNZLHE-UHFFFAOYSA-N 0 3 295.427 2.171 20 30 CEEDHN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000796635269 629951946 /nfs/dbraw/zinc/95/19/46/629951946.db2.gz YIKVOJSMWHWJMJ-NJZAAPMLSA-N 0 3 288.347 2.395 20 30 CEEDHN O=C1[C@H]([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CCCN1[O-] ZINC000895157606 629973473 /nfs/dbraw/zinc/97/34/73/629973473.db2.gz CTNZYZYOIVWPPM-VHDGCEQUSA-N 0 3 289.379 2.078 20 30 CEEDHN C[C@H]([NH2+][C@H]1CCCN([O-])C1=O)[C@@H]1CC2CCC1CC2 ZINC000895158468 629975844 /nfs/dbraw/zinc/97/58/44/629975844.db2.gz JTBJXUMXYYBQFK-ASUPZPJHSA-N 0 3 266.385 2.171 20 30 CEEDHN Cc1ccccc1C1CC([NH2+][C@H]2CCCN([O-])C2=O)C1 ZINC000895163128 629984714 /nfs/dbraw/zinc/98/47/14/629984714.db2.gz RITNUVYGPUMGBS-PIMMBPRGSA-N 0 3 274.364 2.211 20 30 CEEDHN Cc1c(CC(=O)C(C#N)c2nc3ccccc3o2)cnn1C ZINC000796775921 629998726 /nfs/dbraw/zinc/99/87/26/629998726.db2.gz RMDRKBXVLWTIRY-GFCCVEGCSA-N 0 3 294.314 2.289 20 30 CEEDHN O=C1[C@H]([NH2+]C2CC(c3ccc(F)cc3F)C2)CCCN1[O-] ZINC000895196561 630025207 /nfs/dbraw/zinc/02/52/07/630025207.db2.gz LWJDGXZMGUHNIW-PFMWSLTASA-N 0 3 296.317 2.181 20 30 CEEDHN C#CC1(O)CCN(Cc2ccc3occc3c2)CC1 ZINC000895384792 630154946 /nfs/dbraw/zinc/15/49/46/630154946.db2.gz UDYKOQJJRDEBAH-UHFFFAOYSA-N 0 3 255.317 2.393 20 30 CEEDHN CC1=NO[C@H](CNCc2c(C)cc(C#N)cc2C)C1 ZINC000895428035 630179219 /nfs/dbraw/zinc/17/92/19/630179219.db2.gz FBZWTOZWPRSLCH-AWEZNQCLSA-N 0 3 257.337 2.430 20 30 CEEDHN C=CCNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000895475203 630212243 /nfs/dbraw/zinc/21/22/43/630212243.db2.gz UBLAESITLSYPNO-AWEZNQCLSA-N 0 3 262.353 2.037 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NCC(=O)N2CCc3ccccc32)C1 ZINC000895486735 630215931 /nfs/dbraw/zinc/21/59/31/630215931.db2.gz IBQBEVQNFVHOCJ-DZGCQCFKSA-N 0 3 283.375 2.248 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)c1[nH]c2ccccc2c1C#N ZINC000895539125 630240902 /nfs/dbraw/zinc/24/09/02/630240902.db2.gz PGWFZDMDQNMKID-LBPRGKRZSA-N 0 3 296.374 2.254 20 30 CEEDHN C#CCC1(O)CCN(Cc2c(C)cccc2OC)CC1 ZINC000895670331 630299798 /nfs/dbraw/zinc/29/97/98/630299798.db2.gz PSNDMDOSYVBGBK-UHFFFAOYSA-N 0 3 273.376 2.354 20 30 CEEDHN C#C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCCN2C)c1ccccc1 ZINC000895686812 630301250 /nfs/dbraw/zinc/30/12/50/630301250.db2.gz IWAAHAKXPOPJQJ-GVDBMIGSSA-N 0 3 297.402 2.239 20 30 CEEDHN C(#Cc1ccccc1)CN[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000895745115 630322446 /nfs/dbraw/zinc/32/24/46/630322446.db2.gz MOXXUNWUJFAOFN-DMRKSPOLSA-N 0 3 253.345 2.051 20 30 CEEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1cn(C)nn1)C(C)C ZINC000902742233 634805689 /nfs/dbraw/zinc/80/56/89/634805689.db2.gz MACCDJYEIMZZSU-ZBFHGGJFSA-N 0 3 291.443 2.164 20 30 CEEDHN C#CCSCC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000895938216 630411770 /nfs/dbraw/zinc/41/17/70/630411770.db2.gz XFGJNSLCZGMYCC-HNNXBMFYSA-N 0 3 290.432 2.080 20 30 CEEDHN C=CCC1(O)CCN(Cc2cnn(C)c2C2CC2)CC1 ZINC000896058324 630450937 /nfs/dbraw/zinc/45/09/37/630450937.db2.gz NGRQDJMNQCMUJY-UHFFFAOYSA-N 0 3 275.396 2.201 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@H]2CCC3(CCC3)O2)CC1 ZINC000896209322 630499848 /nfs/dbraw/zinc/49/98/48/630499848.db2.gz YDDHFPKSUPNJQV-OAHLLOKOSA-N 0 3 292.423 2.245 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cccc(OC)c1F ZINC000883400430 630540406 /nfs/dbraw/zinc/54/04/06/630540406.db2.gz MIRRGBIFVGFUEQ-LBPRGKRZSA-N 0 3 253.317 2.251 20 30 CEEDHN Cc1cc(C#N)cc(C)c1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000896440370 630566815 /nfs/dbraw/zinc/56/68/15/630566815.db2.gz BYMDKMSVIAXPAX-CJNGLKHVSA-N 0 3 297.402 2.388 20 30 CEEDHN C[C@](O)(CNCc1cccc(C#N)n1)c1cccc(F)c1 ZINC000896564739 630599430 /nfs/dbraw/zinc/59/94/30/630599430.db2.gz SGJUXKNGSABAMZ-INIZCTEOSA-N 0 3 285.322 2.090 20 30 CEEDHN CN(C(=O)c1[nH]c2ccccc2c1C#N)[C@@H]1CCCN(C)C1 ZINC000896672338 630630720 /nfs/dbraw/zinc/63/07/20/630630720.db2.gz KUFZBZXSOMKKPM-GFCCVEGCSA-N 0 3 296.374 2.206 20 30 CEEDHN C=C(C)CN(Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000670987025 630808335 /nfs/dbraw/zinc/80/83/35/630808335.db2.gz KVXZIAORFBKKSW-MRXNPFEDSA-N 0 3 261.365 2.216 20 30 CEEDHN C#CCOc1ccc(CN2CC[C@@H](C(=O)OCC)C2)cc1 ZINC000896963209 630846495 /nfs/dbraw/zinc/84/64/95/630846495.db2.gz WLDQWDLGWYQBNB-OAHLLOKOSA-N 0 3 287.359 2.084 20 30 CEEDHN C#Cc1cncc(C(=O)Nc2cccc(CN(C)C)c2)c1 ZINC000798280525 630850859 /nfs/dbraw/zinc/85/08/59/630850859.db2.gz RRDIVGWRRBMIHF-UHFFFAOYSA-N 0 3 279.343 2.377 20 30 CEEDHN C#C[C@@H](NC(=O)CN(C)CCCCCC)C(C)C ZINC000799042337 630964427 /nfs/dbraw/zinc/96/44/27/630964427.db2.gz XGCJRGZDQACTCV-CQSZACIVSA-N 0 3 252.402 2.273 20 30 CEEDHN CCN(CC)c1ccc(C=NNCC(C)(C)CO)cc1 ZINC000799115628 630980456 /nfs/dbraw/zinc/98/04/56/630980456.db2.gz IQGNYLMFAXHNJV-UHFFFAOYSA-N 0 3 277.412 2.475 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ncc(C)c(OC)c1C ZINC000320617221 631053682 /nfs/dbraw/zinc/05/36/82/631053682.db2.gz HTDOMNGJBJAXGZ-ZDUSSCGKSA-N 0 3 264.369 2.124 20 30 CEEDHN CCCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC000985877623 631192392 /nfs/dbraw/zinc/19/23/92/631192392.db2.gz LAPSJFXGIYIFEF-SMDDNHRTSA-N 0 3 291.420 2.499 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001007028168 631270928 /nfs/dbraw/zinc/27/09/28/631270928.db2.gz PAANYYMBVSKQDQ-CYBMUJFWSA-N 0 3 276.424 2.273 20 30 CEEDHN COc1cc(CN(C)CCO[C@@H](C)C#N)cc(OC)c1 ZINC000801916235 631353077 /nfs/dbraw/zinc/35/30/77/631353077.db2.gz SAWJPBLRFJVZJP-LBPRGKRZSA-N 0 3 278.352 2.064 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000801917560 631353207 /nfs/dbraw/zinc/35/32/07/631353207.db2.gz HLVTUJDDCFLJQO-GXTWGEPZSA-N 0 3 288.347 2.481 20 30 CEEDHN Cc1ccc([C@@H](C)NCCO[C@@H](C)C#N)cc1[N+](=O)[O-] ZINC000801938682 631363565 /nfs/dbraw/zinc/36/35/65/631363565.db2.gz HOLCCODXDBSRMX-NWDGAFQWSA-N 0 3 277.324 2.483 20 30 CEEDHN CC[C@H](NCCO[C@H](C)C#N)c1c(C)noc1C ZINC000801939966 631363862 /nfs/dbraw/zinc/36/38/62/631363862.db2.gz XHGANFXXOPKLEH-SKDRFNHKSA-N 0 3 251.330 2.261 20 30 CEEDHN C[C@H](C#N)OCCN1CCC(N2CCc3ccccc32)CC1 ZINC000801955434 631370184 /nfs/dbraw/zinc/37/01/84/631370184.db2.gz SWHXTZJZDDYIAL-OAHLLOKOSA-N 0 3 299.418 2.442 20 30 CEEDHN CCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC000987651199 631438794 /nfs/dbraw/zinc/43/87/94/631438794.db2.gz DPTYBKHZNMRXAH-GHMZBOCLSA-N 0 3 277.393 2.109 20 30 CEEDHN C=CCN1CCN(CN2CCC(CC)(CC)C2)C1=O ZINC000840025530 631638273 /nfs/dbraw/zinc/63/82/73/631638273.db2.gz TWBZIILFGATBJO-UHFFFAOYSA-N 0 3 265.401 2.380 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CC2(c3ccccc3)CC2)C1 ZINC000988933807 631709237 /nfs/dbraw/zinc/70/92/37/631709237.db2.gz NDQLFKWNSJQLHG-NVXWUHKLSA-N 0 3 296.414 2.321 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(C)c(F)cc2F)C1 ZINC000989025585 631716237 /nfs/dbraw/zinc/71/62/37/631716237.db2.gz BYWCVBPEHPWERZ-RYUDHWBXSA-N 0 3 292.329 2.099 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(CC)s2)C1 ZINC000989131526 631731699 /nfs/dbraw/zinc/73/16/99/631731699.db2.gz PGGDQSRUSYWDEQ-VXGBXAGGSA-N 0 3 276.405 2.136 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cn(C)c3ccccc23)C1 ZINC000989135033 631732980 /nfs/dbraw/zinc/73/29/80/631732980.db2.gz BUZVYHKCVDLTLM-KGLIPLIRSA-N 0 3 295.386 2.004 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2cc(C)ccc2C)C1 ZINC000989394810 631807753 /nfs/dbraw/zinc/80/77/53/631807753.db2.gz CDWZKQVEVBKQKS-WBVHZDCISA-N 0 3 284.403 2.058 20 30 CEEDHN CO[C@H]1C[C@H]2C[C@H](NCc3nc(C#N)cs3)C[C@H]2C1 ZINC000897628774 631836325 /nfs/dbraw/zinc/83/63/25/631836325.db2.gz CDMYSFBCRSEWIH-SNGHVFKGSA-N 0 3 277.393 2.308 20 30 CEEDHN C#C[C@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)C(C)(C)C ZINC000808296999 631947348 /nfs/dbraw/zinc/94/73/48/631947348.db2.gz UIQYNHYTHHQXAU-GJZGRUSLSA-N 0 3 291.439 2.350 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@H]2c3ccccc3OC[C@H]2CO)C1 ZINC000897948204 631987586 /nfs/dbraw/zinc/98/75/86/631987586.db2.gz ZQPSQCQWTNYIFB-NFFDBFGFSA-N 0 3 272.348 2.010 20 30 CEEDHN C[C@H](CCC#N)CNCc1cc(C(F)(F)F)n(C)n1 ZINC000898021768 632018332 /nfs/dbraw/zinc/01/83/32/632018332.db2.gz TVBMZLCWWZOCCA-SECBINFHSA-N 0 3 274.290 2.468 20 30 CEEDHN C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC000898150871 632071981 /nfs/dbraw/zinc/07/19/81/632071981.db2.gz FJXWHAJIDALCID-RDBSUJKOSA-N 0 3 288.395 2.095 20 30 CEEDHN CCC[C@@H](C(=O)C(C#N)C(=O)N1CCCC1)c1ccccn1 ZINC000810527115 632222481 /nfs/dbraw/zinc/22/24/81/632222481.db2.gz HWXQNQMTQUHQPL-ZIAGYGMSSA-N 0 3 299.374 2.297 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1cccc(Cl)c1F ZINC000810533301 632223254 /nfs/dbraw/zinc/22/32/54/632223254.db2.gz LKOPJHHJQYFEED-JTQLQIEISA-N 0 3 296.729 2.255 20 30 CEEDHN CC(=O)N[C@@]12CCC[C@H]1N(Cc1cccc(C#N)c1)CC2 ZINC000989871348 632262662 /nfs/dbraw/zinc/26/26/62/632262662.db2.gz SRSPNHIASRKLDZ-IAGOWNOFSA-N 0 3 283.375 2.191 20 30 CEEDHN C[C@H]1C[C@H]1C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000989891737 632270601 /nfs/dbraw/zinc/27/06/01/632270601.db2.gz ALJUCZJSVLUKEE-SUMWQHHRSA-N 0 3 297.402 2.295 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccccc3)CCC[C@H]12 ZINC000989915068 632278997 /nfs/dbraw/zinc/27/89/97/632278997.db2.gz COPRZBVYYMOGOZ-WMZOPIPTSA-N 0 3 282.387 2.437 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)C3CC(F)(F)C3)CCC[C@H]12 ZINC000990121577 632316558 /nfs/dbraw/zinc/31/65/58/632316558.db2.gz PVQDAEWNMRJUGL-JSGCOSHPSA-N 0 3 284.350 2.331 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3c(C)ccn3C)CCC[C@@H]12 ZINC000990327604 632336322 /nfs/dbraw/zinc/33/63/22/632336322.db2.gz KHPOIWWGJQZJPD-PBHICJAKSA-N 0 3 287.407 2.246 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3C[C@@H]3C(F)F)CCC[C@H]12 ZINC000990437565 632355515 /nfs/dbraw/zinc/35/55/15/632355515.db2.gz NYLWTURALCNMFY-JUFZMCDQSA-N 0 3 284.350 2.187 20 30 CEEDHN C=CCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813107898 632624541 /nfs/dbraw/zinc/62/45/41/632624541.db2.gz YQYGZQYBDRHFIA-SNVBAGLBSA-N 0 3 265.265 2.073 20 30 CEEDHN Cc1ncc([C@@H](C)NCCNc2ccc(C#N)cn2)c(C)n1 ZINC000927166771 632698988 /nfs/dbraw/zinc/69/89/88/632698988.db2.gz YRRAVWDINMCJNT-LLVKDONJSA-N 0 3 296.378 2.123 20 30 CEEDHN CC1/C(=C\c2cnn(CC3CCC3)c2)C(=O)c2ncnn21 ZINC000899381629 632822746 /nfs/dbraw/zinc/82/27/46/632822746.db2.gz QOKZYUFBSVOMER-QWGQVVDNSA-N 0 3 283.335 2.116 20 30 CEEDHN CC[C@H](C#N)OC(=O)C1CCCN(c2ccccc2)C1=O ZINC000814611269 632869553 /nfs/dbraw/zinc/86/95/53/632869553.db2.gz JSMBXPPEUVUMBU-KGLIPLIRSA-N 0 3 286.331 2.275 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CC[C@](O)(c3ccc(F)cc3)C2)C1 ZINC000815084328 632956232 /nfs/dbraw/zinc/95/62/32/632956232.db2.gz BLANQFSZIMCISQ-DAXOMENPSA-N 0 3 274.339 2.411 20 30 CEEDHN C=C(CN(C)C)C(=O)Oc1ccc(Cl)cc1OC ZINC000817656175 633716727 /nfs/dbraw/zinc/71/67/27/633716727.db2.gz CVWKXAZAUCODNW-UHFFFAOYSA-N 0 3 269.728 2.372 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@@H]1CCCC[C@H]1C ZINC000818612029 633959492 /nfs/dbraw/zinc/95/94/92/633959492.db2.gz LGKBTCRTHPQHKH-CABCVRRESA-N 0 3 264.413 2.274 20 30 CEEDHN CCc1noc(CC)c1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000819145162 634082219 /nfs/dbraw/zinc/08/22/19/634082219.db2.gz JDNCSFWLDNAVEC-INIZCTEOSA-N 0 3 299.374 2.494 20 30 CEEDHN CCc1ccnc(CNC[C@H](O)c2ccc(C#N)cc2)c1 ZINC000819286429 634128893 /nfs/dbraw/zinc/12/88/93/634128893.db2.gz OEKTYOPVCANTBX-KRWDZBQOSA-N 0 3 281.359 2.339 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN[C@H]2COCc3ccccc32)cc1 ZINC000819376210 634161425 /nfs/dbraw/zinc/16/14/25/634161425.db2.gz VUDXXMOYLGKWCN-ROUUACIJSA-N 0 3 294.354 2.453 20 30 CEEDHN C[C@H](NC[C@H](CO)Cc1ccco1)c1cc(C#N)ccn1 ZINC000902844156 634857229 /nfs/dbraw/zinc/85/72/29/634857229.db2.gz GPBSGVYQTISRLO-GXTWGEPZSA-N 0 3 285.347 2.048 20 30 CEEDHN C[C@H](N[C@@H]1CCN(c2ccccn2)C1)c1cc(C#N)ccn1 ZINC000902888218 634880835 /nfs/dbraw/zinc/88/08/35/634880835.db2.gz QYGJTFULRHJYAS-DZGCQCFKSA-N 0 3 293.374 2.278 20 30 CEEDHN CC(C)[C@H](O)C1(CN[C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902896541 634885401 /nfs/dbraw/zinc/88/54/01/634885401.db2.gz LACNVYOBZOFMKP-WFASDCNBSA-N 0 3 273.380 2.401 20 30 CEEDHN CC[C@H](N[C@@H](C)c1cc(C#N)ccn1)[C@H](O)C(C)C ZINC000903019789 634928071 /nfs/dbraw/zinc/92/80/71/634928071.db2.gz RHYQCQBLPQOKPV-CORIIIEPSA-N 0 3 261.369 2.399 20 30 CEEDHN C[C@H](NC[C@H](O)Cc1ccccc1F)c1cc(C#N)ccn1 ZINC000903094665 634976224 /nfs/dbraw/zinc/97/62/24/634976224.db2.gz PCPQRAZRCXXCPG-SWLSCSKDSA-N 0 3 299.349 2.347 20 30 CEEDHN N#Cc1csc(CN[C@@H]2CCCC[C@@H]2CCCO)n1 ZINC000903264035 635036040 /nfs/dbraw/zinc/03/60/40/635036040.db2.gz QPUQRZNDCKAEOS-DGCLKSJQSA-N 0 3 279.409 2.436 20 30 CEEDHN Cc1cc(C#N)cc(C)c1C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000903284020 635036931 /nfs/dbraw/zinc/03/69/31/635036931.db2.gz UPVOAWRIWJVNFQ-INIZCTEOSA-N 0 3 297.402 2.484 20 30 CEEDHN C=CCC[C@H](NCc1cn(C)nc1OC)[C@H]1CCCO1 ZINC000903346098 635072742 /nfs/dbraw/zinc/07/27/42/635072742.db2.gz RASZCUKQHQAFOA-UONOGXRCSA-N 0 3 279.384 2.032 20 30 CEEDHN C#CCNC(=O)CN1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000823636704 635239914 /nfs/dbraw/zinc/23/99/14/635239914.db2.gz DUDXSNPYODWPHS-OAHLLOKOSA-N 0 3 270.376 2.209 20 30 CEEDHN CCN(C(=O)c1cc(C#N)ccc1C)[C@@H]1CCN(C)C1 ZINC000824841231 635508581 /nfs/dbraw/zinc/50/85/81/635508581.db2.gz HSILJGBPWRQIEL-CQSZACIVSA-N 0 3 271.364 2.033 20 30 CEEDHN CCC[C@H](C)CN1CCC(C#N)(C(=O)OC)CC1 ZINC000824867712 635515730 /nfs/dbraw/zinc/51/57/30/635515730.db2.gz VEVLLXBHXQVQNK-LBPRGKRZSA-N 0 3 252.358 2.201 20 30 CEEDHN Cc1ccc(C#N)cc1C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000824894774 635519126 /nfs/dbraw/zinc/51/91/26/635519126.db2.gz LSYTWBGUOGUZKO-KRWDZBQOSA-N 0 3 283.375 2.081 20 30 CEEDHN O=C(C#Cc1cccs1)N1CC[C@H](N2CCCCC2)C1 ZINC000825763905 635710471 /nfs/dbraw/zinc/71/04/71/635710471.db2.gz DUXVEMUHHWQZFY-AWEZNQCLSA-N 0 3 288.416 2.186 20 30 CEEDHN COc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1C ZINC000905079593 635796668 /nfs/dbraw/zinc/79/66/68/635796668.db2.gz CIZJYWQESAVPSF-BZPKPHBRSA-N 0 3 269.304 2.436 20 30 CEEDHN CC1/C(=C/c2cccc3c2OCCCO3)C(=O)c2ncnn21 ZINC000905082342 635798572 /nfs/dbraw/zinc/79/85/72/635798572.db2.gz VRBXVILGHHLEFR-UVIKPUKZSA-N 0 3 297.314 2.280 20 30 CEEDHN COc1ccc(/C=C2/C(=O)c3ncnn3C2C)c(C)c1OC ZINC000905083187 635798815 /nfs/dbraw/zinc/79/88/15/635798815.db2.gz CNAIKKVLFAVPCF-CEXMDJMXSA-N 0 3 299.330 2.445 20 30 CEEDHN COc1cc(C)cc(/C=C2/C(=O)c3ncnn3C2C)c1OC ZINC000905084623 635799476 /nfs/dbraw/zinc/79/94/76/635799476.db2.gz JIYQLAJBNNMDJK-QVIVLVACSA-N 0 3 299.330 2.445 20 30 CEEDHN CC1/C(=C/c2ccc(C(F)(F)F)[nH]2)C(=O)c2ncnn21 ZINC000905087238 635801291 /nfs/dbraw/zinc/80/12/91/635801291.db2.gz WRTDDWWAAMURGO-LBOWODLNSA-N 0 3 282.225 2.466 20 30 CEEDHN C#CCOc1ccc(CN2CC(CCOC)C2)cc1 ZINC000826898978 635875050 /nfs/dbraw/zinc/87/50/50/635875050.db2.gz BUJFHFQPRZNOKG-UHFFFAOYSA-N 0 3 259.349 2.167 20 30 CEEDHN C#Cc1cnc(N[C@@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000827299867 636285113 /nfs/dbraw/zinc/28/51/13/636285113.db2.gz VFTPJNIHSPHVQL-MRXNPFEDSA-N 0 3 278.359 2.144 20 30 CEEDHN CCc1onc(C)c1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000905629703 636353352 /nfs/dbraw/zinc/35/33/52/636353352.db2.gz FUHLMHPXWNKKEY-HNNXBMFYSA-N 0 3 285.347 2.240 20 30 CEEDHN C=CC[C@@H](NC[C@@H]1CCN1C1CCCCC1)C(=O)OC ZINC000905775423 636432964 /nfs/dbraw/zinc/43/29/64/636432964.db2.gz XBTMUMDDPQVZMX-LSDHHAIUSA-N 0 3 280.412 2.101 20 30 CEEDHN CN(CCNC(=O)c1ccsc1C#N)Cc1ccccc1 ZINC000906384149 636729144 /nfs/dbraw/zinc/72/91/44/636729144.db2.gz HOHPMFBYMUBQRA-UHFFFAOYSA-N 0 3 299.399 2.482 20 30 CEEDHN C[C@@H](CNC(=O)c1ccsc1C#N)N1CCC(C)CC1 ZINC000906429896 636743388 /nfs/dbraw/zinc/74/33/88/636743388.db2.gz NJYWDMFRYMOSES-LBPRGKRZSA-N 0 3 291.420 2.470 20 30 CEEDHN C#CC[C@@H]1CCCN(Cc2cccc(C(=O)OC)n2)C1 ZINC000829809705 636935286 /nfs/dbraw/zinc/93/52/86/636935286.db2.gz FCMTXQZTBNSEAH-CYBMUJFWSA-N 0 3 272.348 2.104 20 30 CEEDHN C#CC[C@H]1CCCN(Cc2cnc(OC)nc2C)C1 ZINC000829815178 636936874 /nfs/dbraw/zinc/93/68/74/636936874.db2.gz GOFXEYTVAFTQDU-ZDUSSCGKSA-N 0 3 259.353 2.029 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)c2cc(C#N)ccc2F)CN1C1CC1 ZINC000829862830 636945053 /nfs/dbraw/zinc/94/50/53/636945053.db2.gz GZKIYFADKLCZRN-JQWIXIFHSA-N 0 3 287.338 2.052 20 30 CEEDHN C#CC1CCN([C@@H](C)C(=O)NCc2ccccc2C)CC1 ZINC000830316176 637033325 /nfs/dbraw/zinc/03/33/25/637033325.db2.gz HOFWDPZYEJWNSM-HNNXBMFYSA-N 0 3 284.403 2.345 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000876575042 650338363 /nfs/dbraw/zinc/33/83/63/650338363.db2.gz SECLFPACYOHAFF-SNVBAGLBSA-N 0 3 288.178 2.163 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(F)c(F)c1 ZINC000876575774 650340226 /nfs/dbraw/zinc/34/02/26/650340226.db2.gz SESROGRYTRRFBI-NSHDSACASA-N 0 3 274.698 2.051 20 30 CEEDHN CC(C)C#CC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000832319926 637544331 /nfs/dbraw/zinc/54/43/31/637544331.db2.gz NAJMCQZUHSLZHU-WMLDXEAASA-N 0 3 272.392 2.453 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000876590197 650348508 /nfs/dbraw/zinc/34/85/08/650348508.db2.gz SHNBKRRQWBRHHI-WCQGTBRESA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000876593656 650350594 /nfs/dbraw/zinc/35/05/94/650350594.db2.gz PGCMUIPRACOGNY-ZIAGYGMSSA-N 0 3 278.783 2.472 20 30 CEEDHN C#CCN1CCC(C(=O)NCCCC(C)(C)C=C)CC1 ZINC000832725710 637653317 /nfs/dbraw/zinc/65/33/17/637653317.db2.gz MFQHNPFNEMWSCU-UHFFFAOYSA-N 0 3 276.424 2.440 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000876621338 650363532 /nfs/dbraw/zinc/36/35/32/650363532.db2.gz ZAJMVYLPTFIDRR-GRYCIOLGSA-N 0 3 256.777 2.247 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000876649587 650374798 /nfs/dbraw/zinc/37/47/98/650374798.db2.gz ADJHGEUSTYTGJU-QWHCGFSZSA-N 0 3 282.746 2.399 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2c(C)cccc2C1 ZINC000876649176 650374841 /nfs/dbraw/zinc/37/48/41/650374841.db2.gz NZZRISNSBVMWFR-CQSZACIVSA-N 0 3 278.783 2.350 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1c(C)cccc1C ZINC000876655487 650378927 /nfs/dbraw/zinc/37/89/27/650378927.db2.gz LUQJANPISWQJOM-ZDUSSCGKSA-N 0 3 266.772 2.390 20 30 CEEDHN C#Cc1ccc(C(=O)N2CCCN(CC)C[C@H]2C)cc1 ZINC000910267611 637963570 /nfs/dbraw/zinc/96/35/70/637963570.db2.gz SGGXCCPNRSINTA-CQSZACIVSA-N 0 3 270.376 2.224 20 30 CEEDHN CCN1CCCN(C(=O)c2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000910272760 637969104 /nfs/dbraw/zinc/96/91/04/637969104.db2.gz GYVUVGUVVUPNLX-CQSZACIVSA-N 0 3 285.391 2.423 20 30 CEEDHN CCN1CCCN(C(=O)c2ccc(CC#N)cc2)[C@H](C)C1 ZINC000910279958 637973346 /nfs/dbraw/zinc/97/33/46/637973346.db2.gz HDDNFBOISKZPSG-CQSZACIVSA-N 0 3 285.391 2.309 20 30 CEEDHN C#Cc1cccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000834903823 637982545 /nfs/dbraw/zinc/98/25/45/637982545.db2.gz SZWPVXZNXSJLAY-HZPDHXFCSA-N 0 3 291.416 2.113 20 30 CEEDHN COC[C@H](C)NN=C/C=C/c1ccc(N(C)C)cc1 ZINC000834970959 638004512 /nfs/dbraw/zinc/00/45/12/638004512.db2.gz RVZZAJYRHKWSCS-QDXMMYCXSA-N 0 3 261.369 2.376 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCOc2cc(C)ccc21 ZINC000876669604 650391936 /nfs/dbraw/zinc/39/19/36/650391936.db2.gz RWUZQVPYOGQBSQ-NSHDSACASA-N 0 3 280.755 2.190 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C ZINC000876680495 650396620 /nfs/dbraw/zinc/39/66/20/650396620.db2.gz DSLJVIJEZVIICQ-BXUZGUMPSA-N 0 3 278.783 2.430 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC(C1CC1)C1CC1 ZINC000876685784 650398956 /nfs/dbraw/zinc/39/89/56/650398956.db2.gz KRPBIQQHQMVXMT-LBPRGKRZSA-N 0 3 256.777 2.009 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1csc(CC)n1 ZINC000876740169 650415413 /nfs/dbraw/zinc/41/54/13/650415413.db2.gz RADSILRWIAOTIF-JTQLQIEISA-N 0 3 287.816 2.134 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCCOc1ccc(C)cc1 ZINC000912001851 638513738 /nfs/dbraw/zinc/51/37/38/638513738.db2.gz HRSNOXQGSGJFOR-OAHLLOKOSA-N 0 3 276.380 2.174 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1nc(C)c(C)s1 ZINC000912055973 638525564 /nfs/dbraw/zinc/52/55/64/638525564.db2.gz KFBJFCAREQNSLK-JTQLQIEISA-N 0 3 253.371 2.382 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000912084665 638540137 /nfs/dbraw/zinc/54/01/37/638540137.db2.gz YIQONUXZZHCOPQ-CYBMUJFWSA-N 0 3 290.363 2.057 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OC)c(F)c1 ZINC000912239581 638612279 /nfs/dbraw/zinc/61/22/79/638612279.db2.gz VIRFSNWBIKSVAF-GFCCVEGCSA-N 0 3 266.316 2.456 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(F)c(NC(C)=O)c1 ZINC000912217574 638613692 /nfs/dbraw/zinc/61/36/92/638613692.db2.gz FUBPFBMXVJMTIX-ZDUSSCGKSA-N 0 3 293.342 2.406 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000876778017 650429347 /nfs/dbraw/zinc/42/93/47/650429347.db2.gz WSHISZLWVYOVPQ-ZDUSSCGKSA-N 0 3 299.777 2.296 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(C)s1 ZINC000912282733 638630215 /nfs/dbraw/zinc/63/02/15/638630215.db2.gz FYOPPXYQKKWNAD-LBPRGKRZSA-N 0 3 252.383 2.356 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000836489442 638649399 /nfs/dbraw/zinc/64/93/99/638649399.db2.gz ZQQHCDBLRXDQCP-ARFHVFGLSA-N 0 3 291.439 2.210 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1cccc(COC)c1 ZINC000912352296 638656308 /nfs/dbraw/zinc/65/63/08/638656308.db2.gz YIYZOKQSHHPXKV-HNNXBMFYSA-N 0 3 276.380 2.133 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1c(C)cccc1OC ZINC000876873551 650467410 /nfs/dbraw/zinc/46/74/10/650467410.db2.gz JQLYTANFQSTQRY-JTQLQIEISA-N 0 3 268.744 2.412 20 30 CEEDHN O=C(C#CC1CC1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000837329359 639188117 /nfs/dbraw/zinc/18/81/17/639188117.db2.gz LVQMBAPSKGGVFT-QGZVFWFLSA-N 0 3 282.387 2.353 20 30 CEEDHN CN(C)C[C@H](NC(=O)C#CC1CC1)c1ccc(Cl)cc1 ZINC000837607896 639305314 /nfs/dbraw/zinc/30/53/14/639305314.db2.gz YZTWACZKZVEHOF-HNNXBMFYSA-N 0 3 290.794 2.472 20 30 CEEDHN CC(C)(C)N1CC[C@](F)(C(=O)NCC(C)(C)CC#N)C1 ZINC000837894778 639435088 /nfs/dbraw/zinc/43/50/88/639435088.db2.gz ZDIZCMLLYMMKMZ-OAHLLOKOSA-N 0 3 283.391 2.255 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC2(CCC2)C[C@@H]1C ZINC000876939017 650496401 /nfs/dbraw/zinc/49/64/01/650496401.db2.gz SHGRFRXIMXJDNJ-WDEREUQCSA-N 0 3 256.777 2.247 20 30 CEEDHN CC(C)[C@](C)(O)CNCc1cc(C#N)cnc1Cl ZINC000877042481 639468327 /nfs/dbraw/zinc/46/83/27/639468327.db2.gz RMYIXXJDAREQJJ-CYBMUJFWSA-N 0 3 267.760 2.103 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC2(CC2(F)F)CC1 ZINC000876945944 650499529 /nfs/dbraw/zinc/49/95/29/650499529.db2.gz LZQXDLQRBDTUOT-SECBINFHSA-N 0 3 278.730 2.104 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000876953259 650503470 /nfs/dbraw/zinc/50/34/70/650503470.db2.gz LHDAMSCHDMWBHK-OLZOCXBDSA-N 0 3 286.803 2.016 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCC1(CSC)CC1 ZINC000876960235 650507074 /nfs/dbraw/zinc/50/70/74/650507074.db2.gz BLCCUDQLDUQCBL-SNVBAGLBSA-N 0 3 276.833 2.106 20 30 CEEDHN COc1ccc(CN[C@@H]2CCCC(F)(F)[C@H]2O)cc1C#N ZINC000840971896 639606264 /nfs/dbraw/zinc/60/62/64/639606264.db2.gz UMKLULRKRKUZGB-OCCSQVGLSA-N 0 3 296.317 2.205 20 30 CEEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN(C)C1CC1 ZINC000172607446 639781162 /nfs/dbraw/zinc/78/11/62/639781162.db2.gz QWZPBUZVGFYRMP-UHFFFAOYSA-N 0 3 267.336 2.177 20 30 CEEDHN CCOCCON=Cc1ccc(N(C)C)cc1C ZINC000841634971 639803705 /nfs/dbraw/zinc/80/37/05/639803705.db2.gz ZYQYVTUXNIQRTG-UHFFFAOYSA-N 0 3 250.342 2.448 20 30 CEEDHN C[C@@H](O)CN(C)N=C/C=C\c1ccc(N(C)C)cc1 ZINC000841648274 639809653 /nfs/dbraw/zinc/80/96/53/639809653.db2.gz AVWXZCUCBXDPDE-LJGRVWMOSA-N 0 3 261.369 2.064 20 30 CEEDHN C[C@H](O)CN(C)N=Cc1ccccc1N1CCCCC1 ZINC000841653387 639822512 /nfs/dbraw/zinc/82/25/12/639822512.db2.gz HWSDXHHXKWYDJV-AWEZNQCLSA-N 0 3 275.396 2.323 20 30 CEEDHN C#CC[C@H](NC(=O)N1C[C@H](C)NC[C@H]1C)c1ccccc1 ZINC000841865070 639889536 /nfs/dbraw/zinc/88/95/36/639889536.db2.gz JRWQJYCSNQUVFF-LZWOXQAQSA-N 0 3 285.391 2.143 20 30 CEEDHN C=CCN(C(=O)NC[C@@H]1NCCc2ccccc21)C(C)C ZINC000841998875 639917426 /nfs/dbraw/zinc/91/74/26/639917426.db2.gz VFLUPUABRLGAGW-INIZCTEOSA-N 0 3 287.407 2.479 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)C3CC4(CCC4)C3)CCC[C@@H]12 ZINC000992111199 639963989 /nfs/dbraw/zinc/96/39/89/639963989.db2.gz JUBZVBVKARFUCH-QAPCUYQASA-N 0 3 286.419 2.313 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)c3cc[nH]c3C(C)C)CCC[C@H]12 ZINC000992149903 639974359 /nfs/dbraw/zinc/97/43/59/639974359.db2.gz OKAKSBSTOZIZLU-YJBOKZPZSA-N 0 3 299.418 2.498 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3C3CC3)CCC[C@H]12 ZINC000992346356 640029861 /nfs/dbraw/zinc/02/98/61/640029861.db2.gz TXXBPGIWWCGYNK-DFGXFYAUSA-N 0 3 286.419 2.169 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ncccc3F)CCC[C@@H]12 ZINC000992377985 640036830 /nfs/dbraw/zinc/03/68/30/640036830.db2.gz LZGMPCDOTONINI-CJNGLKHVSA-N 0 3 289.354 2.134 20 30 CEEDHN C[C@H](CO)N(C)N=Cc1ccc(N2CCCCC2)cc1 ZINC000842545052 640099204 /nfs/dbraw/zinc/09/92/04/640099204.db2.gz NRIBDCGHYLUAAT-CQSZACIVSA-N 0 3 275.396 2.323 20 30 CEEDHN N#CC(C(=O)C[C@H]1CSCCS1)c1ccccn1 ZINC000152261356 640192699 /nfs/dbraw/zinc/19/26/99/640192699.db2.gz MUELHXUXZLWEBW-QWRGUYRKSA-N 0 3 278.402 2.497 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccnc2)[C@@H]1C ZINC000992964232 640383217 /nfs/dbraw/zinc/38/32/17/640383217.db2.gz NEYJTFPEACFOGN-DZGCQCFKSA-N 0 3 273.380 2.240 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2occc2C)[C@@H]1C ZINC000993040986 640411553 /nfs/dbraw/zinc/41/15/53/640411553.db2.gz SBHDPPXUJPGCAV-KBPBESRZSA-N 0 3 274.364 2.194 20 30 CEEDHN C#CC1CCN(Cc2cnc3c(C)cccn23)CC1 ZINC000843427195 640426784 /nfs/dbraw/zinc/42/67/84/640426784.db2.gz VEAIEXKYHYSDDE-UHFFFAOYSA-N 0 3 253.349 2.488 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(F)nc2)[C@H]1C ZINC000993145233 640481007 /nfs/dbraw/zinc/48/10/07/640481007.db2.gz UTHNDUJAHIKMAP-TZMCWYRMSA-N 0 3 291.370 2.380 20 30 CEEDHN COc1cccc([C@@H](C)C(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000193613984 640572600 /nfs/dbraw/zinc/57/26/00/640572600.db2.gz KGWINVBQRFPPEO-RISCZKNCSA-N 0 3 288.347 2.032 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccnn2CC)[C@@H]1C ZINC000993284316 640572676 /nfs/dbraw/zinc/57/26/76/640572676.db2.gz RDWBQNIIYFSAIR-KBPBESRZSA-N 0 3 290.411 2.062 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ncccc2CC)[C@@H]1C ZINC000993526376 640654082 /nfs/dbraw/zinc/65/40/82/640654082.db2.gz XFUBXDIILYYEIS-GOEBONIOSA-N 0 3 299.418 2.250 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(CC[C@H](C)F)C2)C1 ZINC001015675718 640664511 /nfs/dbraw/zinc/66/45/11/640664511.db2.gz CZBUMKHVRLNTDJ-QWHCGFSZSA-N 0 3 268.376 2.281 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2nccs2)[C@H]1C ZINC000994064482 640692151 /nfs/dbraw/zinc/69/21/51/640692151.db2.gz VZWKSBOIRUGLGE-NEPJUHHUSA-N 0 3 279.409 2.302 20 30 CEEDHN C=CCN1CCC[C@H](NC(=O)c2c[nH]c3cccnc32)[C@H]1C ZINC000994214431 640700602 /nfs/dbraw/zinc/70/06/02/640700602.db2.gz TULDZYCKORNZIB-OCCSQVGLSA-N 0 3 298.390 2.332 20 30 CEEDHN C=C[C@@H](C)ON=Cc1ccc(N2CCOCC2)cc1 ZINC000844623031 640786953 /nfs/dbraw/zinc/78/69/53/640786953.db2.gz JRBVAXWSPCYZGQ-CYBMUJFWSA-N 0 3 260.337 2.448 20 30 CEEDHN C#CCC1(NC(=O)NC2CCN(CC(=C)C)CC2)CCC1 ZINC000917097883 640849128 /nfs/dbraw/zinc/84/91/28/640849128.db2.gz MDMIYSMWUHZXDV-UHFFFAOYSA-N 0 3 289.423 2.272 20 30 CEEDHN CN(C(=O)[C@@H](N)CCCC#N)c1cccc2cc[nH]c21 ZINC000877199252 650623156 /nfs/dbraw/zinc/62/31/56/650623156.db2.gz KGPAJZBPDDXLMF-LBPRGKRZSA-N 0 3 270.336 2.152 20 30 CEEDHN N#Cc1cncc(CN2CC[C@@H](C3CCOCC3)C2)c1 ZINC000930096893 641079642 /nfs/dbraw/zinc/07/96/42/641079642.db2.gz KZHXKKRWEOXHTJ-MRXNPFEDSA-N 0 3 271.364 2.202 20 30 CEEDHN CN(Cc1ccn(C)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008343 641149182 /nfs/dbraw/zinc/14/91/82/641149182.db2.gz VUQKZDZPFLJTRA-MRXNPFEDSA-N 0 3 269.348 2.062 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(F)cc2ccncc21 ZINC000846227530 641234143 /nfs/dbraw/zinc/23/41/43/641234143.db2.gz BNWGFZRDTYMXAC-UHFFFAOYSA-N 0 3 299.349 2.059 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc2c1OCCCO2 ZINC000877266956 650647213 /nfs/dbraw/zinc/64/72/13/650647213.db2.gz NQQGBXQVEJIUKG-SNVBAGLBSA-N 0 3 296.754 2.256 20 30 CEEDHN C#C[C@H]1CCCN(CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000847032873 641540432 /nfs/dbraw/zinc/54/04/32/641540432.db2.gz VQUGEVMEADBRSN-ZDUSSCGKSA-N 0 3 281.359 2.223 20 30 CEEDHN CCN1C[C@@H](CNC2(c3ccc(C#N)cc3)CCC2)OC1=O ZINC000847056260 641548559 /nfs/dbraw/zinc/54/85/59/641548559.db2.gz COXRIGXVUCVFDS-OAHLLOKOSA-N 0 3 299.374 2.368 20 30 CEEDHN CCOCCN(C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000181487673 641558175 /nfs/dbraw/zinc/55/81/75/641558175.db2.gz SGOSEQSDGNGASS-ZDUSSCGKSA-N 0 3 262.353 2.446 20 30 CEEDHN C=CCN(C)C[C@@H](CCOC)NC(=O)OC(C)(C)C ZINC000877426827 650715621 /nfs/dbraw/zinc/71/56/21/650715621.db2.gz QUNQTZLBZYSILI-GFCCVEGCSA-N 0 3 272.389 2.034 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2coc(CC3CC3)n2)C1 ZINC001015918809 642078087 /nfs/dbraw/zinc/07/80/87/642078087.db2.gz FSZXBMASAINUES-CYBMUJFWSA-N 0 3 289.379 2.007 20 30 CEEDHN N#CCCCC[C@@H](N)c1nc(-c2ccn3cncc3c2)no1 ZINC000848630968 642081742 /nfs/dbraw/zinc/08/17/42/642081742.db2.gz BOPWLFUSKSFCIK-CYBMUJFWSA-N 0 3 296.334 2.468 20 30 CEEDHN C=C(C)CNC(=S)N1CCN(C(C)(C)CC)CC1 ZINC000848649908 642088955 /nfs/dbraw/zinc/08/89/55/642088955.db2.gz KSMWUYKJQBBIEU-UHFFFAOYSA-N 0 3 269.458 2.243 20 30 CEEDHN CC[C@@H](C#N)OC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000848778335 642139986 /nfs/dbraw/zinc/13/99/86/642139986.db2.gz XLEYPVVXEPJTLT-GJZGRUSLSA-N 0 3 272.348 2.354 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC000997294037 642237780 /nfs/dbraw/zinc/23/77/80/642237780.db2.gz LJBYUPNBCKQIID-FVQBIDKESA-N 0 3 276.424 2.273 20 30 CEEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000997313512 642239574 /nfs/dbraw/zinc/23/95/74/642239574.db2.gz QKIBCNITZCSIEQ-IIAWOOMASA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cccs2)CC1 ZINC000997469460 642270695 /nfs/dbraw/zinc/27/06/95/642270695.db2.gz CDZMXYCNXYPWMY-LBPRGKRZSA-N 0 3 276.405 2.212 20 30 CEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cncc(C)c2)CC1 ZINC000997973964 642349857 /nfs/dbraw/zinc/34/98/57/642349857.db2.gz DGVXGTKPMNVCHK-KRWDZBQOSA-N 0 3 299.418 2.340 20 30 CEEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CC2(C)C)CC1 ZINC000997972452 642350545 /nfs/dbraw/zinc/35/05/45/642350545.db2.gz SKBGNWIKHASDOW-LSDHHAIUSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000998087125 642363744 /nfs/dbraw/zinc/36/37/44/642363744.db2.gz FJYJNADYWCSDNR-LTIDMASMSA-N 0 3 288.435 2.369 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2=COCCC2)C1 ZINC000998534022 642416053 /nfs/dbraw/zinc/41/60/53/642416053.db2.gz BDYBLNJODZHYPO-UHFFFAOYSA-N 0 3 284.787 2.012 20 30 CEEDHN CC#CCN1CCC(C2(NC(=O)C3CC(C)C3)CC2)CC1 ZINC001000107412 642533857 /nfs/dbraw/zinc/53/38/57/642533857.db2.gz DCLCXFHEPPTAHQ-UHFFFAOYSA-N 0 3 288.435 2.417 20 30 CEEDHN CC#CCN1CCC(C2(NC(=O)[C@@H]3CC3(F)F)CC2)CC1 ZINC001000143594 642539764 /nfs/dbraw/zinc/53/97/64/642539764.db2.gz RLZVSDWCIDCQLY-ZDUSSCGKSA-N 0 3 296.361 2.026 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2cocc2C)CC1 ZINC001001051183 642678709 /nfs/dbraw/zinc/67/87/09/642678709.db2.gz LGAUIHLFKZGBFV-UHFFFAOYSA-N 0 3 260.337 2.136 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2cccc3n[nH]cc32)CC1 ZINC001001027416 642680007 /nfs/dbraw/zinc/68/00/07/642680007.db2.gz FLKDUQXVZSAWKE-UHFFFAOYSA-N 0 3 296.374 2.111 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2cc3c([nH]2)CCCC3)CC1 ZINC001001343806 642713537 /nfs/dbraw/zinc/71/35/37/642713537.db2.gz OJAVNSPOYSQMBR-UHFFFAOYSA-N 0 3 299.418 2.441 20 30 CEEDHN CC#CCN1CCC(CNC(=O)c2sccc2F)CC1 ZINC001001385747 642718046 /nfs/dbraw/zinc/71/80/46/642718046.db2.gz GPNNVBADICHOMF-UHFFFAOYSA-N 0 3 294.395 2.352 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2ccc(Cl)cn2)CC1 ZINC001001389736 642719467 /nfs/dbraw/zinc/71/94/67/642719467.db2.gz LXWGOVCWCURIQJ-UHFFFAOYSA-N 0 3 291.782 2.283 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2ccnc(C3CC3)c2)CC1 ZINC001001595417 642730987 /nfs/dbraw/zinc/73/09/87/642730987.db2.gz PZAXVBOXKATZSX-UHFFFAOYSA-N 0 3 297.402 2.034 20 30 CEEDHN C=CCCOCCNCc1cccc2[nH]c(=O)oc21 ZINC000921938351 642795708 /nfs/dbraw/zinc/79/57/08/642795708.db2.gz LDYPTLHLRJZEFK-UHFFFAOYSA-N 0 3 262.309 2.216 20 30 CEEDHN CCO[C@@H]1C[C@H](NCc2csc(C#N)c2)[C@@]12CCCO2 ZINC000921997037 642831676 /nfs/dbraw/zinc/83/16/76/642831676.db2.gz PHDNXQAHNHCOSR-ZNMIVQPWSA-N 0 3 292.404 2.436 20 30 CEEDHN C[C@@H](CC(C)(C)O)NCc1cc(C#N)cnc1Cl ZINC000877563679 650791470 /nfs/dbraw/zinc/79/14/70/650791470.db2.gz QVYQFENSKWNXOR-VIFPVBQESA-N 0 3 267.760 2.246 20 30 CEEDHN C=C(C)CNCc1ccccc1O[C@@H](C)C(=O)OC ZINC000922115978 642886331 /nfs/dbraw/zinc/88/63/31/642886331.db2.gz XBFAFOSHHOLJOX-LBPRGKRZSA-N 0 3 263.337 2.293 20 30 CEEDHN N#Cc1cc(Cl)cc(CN(CCO)C2CC2)c1 ZINC000929266545 642909719 /nfs/dbraw/zinc/90/97/19/642909719.db2.gz QJPIOMBXLHHUEP-UHFFFAOYSA-N 0 3 250.729 2.168 20 30 CEEDHN N#Cc1cc(CNC[C@@H](O)Cc2ccccc2F)cs1 ZINC000922340715 643039051 /nfs/dbraw/zinc/03/90/51/643039051.db2.gz JBXWPFYKPWOIPA-ZDUSSCGKSA-N 0 3 290.363 2.452 20 30 CEEDHN C=C(CNC(=O)N[C@H]1CCN(C)[C@H]1C)c1ccccc1 ZINC000922482213 643083649 /nfs/dbraw/zinc/08/36/49/643083649.db2.gz IKXVCYYPRVCOQG-ZFWWWQNUSA-N 0 3 273.380 2.092 20 30 CEEDHN C#CCOCCN(CCOC)Cc1ccc(C)cc1C ZINC000851740266 643138353 /nfs/dbraw/zinc/13/83/53/643138353.db2.gz VWJUDAKEUGGEBN-UHFFFAOYSA-N 0 3 275.392 2.402 20 30 CEEDHN C#CCOCCN(C)[C@H](C)c1sc(C)nc1C ZINC000851761860 643150828 /nfs/dbraw/zinc/15/08/28/643150828.db2.gz BYUSYVCDXKNOFN-LLVKDONJSA-N 0 3 252.383 2.403 20 30 CEEDHN C[C@@H]1CN(Cc2cc(C#N)ccc2N(C)C)C[C@@H](C)C1O ZINC000877629578 650822398 /nfs/dbraw/zinc/82/23/98/650822398.db2.gz VZOITRZSPDLBJP-CHWSQXEVSA-N 0 3 287.407 2.073 20 30 CEEDHN C=CCCn1cc(CNC[C@@H]2C[C@H]2C(F)(F)F)nn1 ZINC000922730062 643235700 /nfs/dbraw/zinc/23/57/00/643235700.db2.gz WCSOXCKLKXQPOC-GXSJLCMTSA-N 0 3 274.290 2.142 20 30 CEEDHN Cc1[nH]nc(CNCc2ccc(C)c(C#N)c2)c1C ZINC000922762549 643250882 /nfs/dbraw/zinc/25/08/82/643250882.db2.gz WYDVQAQJPOHUAL-UHFFFAOYSA-N 0 3 254.337 2.496 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000852097187 643299357 /nfs/dbraw/zinc/29/93/57/643299357.db2.gz MQMRVZGCWXUUCV-VNHYZAJKSA-N 0 3 250.386 2.167 20 30 CEEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H](C)c1cccs1 ZINC000852097661 643300697 /nfs/dbraw/zinc/30/06/97/643300697.db2.gz TVOYDHMSENSJNO-FZMZJTMJSA-N 0 3 264.394 2.317 20 30 CEEDHN C#CCOCCN1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000852217242 643357008 /nfs/dbraw/zinc/35/70/08/643357008.db2.gz XLXMBHGOAVSTMZ-KGLIPLIRSA-N 0 3 296.411 2.014 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN(C)CC1(C)COC1 ZINC000877652243 650834709 /nfs/dbraw/zinc/83/47/09/650834709.db2.gz FECLNNZCTATMLI-UHFFFAOYSA-N 0 3 273.380 2.093 20 30 CEEDHN Cc1cccc(C)c1[C@H]1CCCN1CC(=O)NCCC#N ZINC000852311129 643390068 /nfs/dbraw/zinc/39/00/68/643390068.db2.gz DJUJLFAGRJKGPT-OAHLLOKOSA-N 0 3 285.391 2.470 20 30 CEEDHN C=CCN(C[C@H](O)c1ccc(C#N)cc1)[C@H](C)COC ZINC000852358342 643406977 /nfs/dbraw/zinc/40/69/77/643406977.db2.gz QMKGVZRTLHVFHU-CJNGLKHVSA-N 0 3 274.364 2.115 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CC[C@@H](CC)O2)CC1 ZINC001005475157 643409138 /nfs/dbraw/zinc/40/91/38/643409138.db2.gz OBVVHDATALDLCE-CABCVRRESA-N 0 3 280.412 2.053 20 30 CEEDHN C#CCNC(=O)CCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000852427211 643423386 /nfs/dbraw/zinc/42/33/86/643423386.db2.gz TWEHHRQBSXJMEL-INIZCTEOSA-N 0 3 286.375 2.336 20 30 CEEDHN C#CC[C@H](CCOC)NCc1ncc(C)c(OC)c1C ZINC000877660378 650839027 /nfs/dbraw/zinc/83/90/27/650839027.db2.gz KJIJSCKQIBAZDG-CQSZACIVSA-N 0 3 276.380 2.225 20 30 CEEDHN COC(=O)N(C)CCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000852569268 643478219 /nfs/dbraw/zinc/47/82/19/643478219.db2.gz KHJWYCJZPVPUFV-GFCCVEGCSA-N 0 3 275.352 2.249 20 30 CEEDHN C#CCCN(CCOC)Cc1ccc(OC(C)=O)cc1 ZINC000852750661 643534847 /nfs/dbraw/zinc/53/48/47/643534847.db2.gz BMCDKNUNQPDQBV-UHFFFAOYSA-N 0 3 275.348 2.084 20 30 CEEDHN Cc1cc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc(C)c1C#N ZINC000923315144 643655163 /nfs/dbraw/zinc/65/51/63/643655163.db2.gz GNHFNAHYZKEJSZ-JKSUJKDBSA-N 0 3 297.402 2.484 20 30 CEEDHN C=CC[C@@H]1CCCN(CN2C[C@@H](C)[C@@H](C)C2=O)C1 ZINC000853537328 643807629 /nfs/dbraw/zinc/80/76/29/643807629.db2.gz VDYJCAJGGVSZOW-MGPQQGTHSA-N 0 3 250.386 2.346 20 30 CEEDHN CN1Cc2ccccc2[C@@H]1CNCc1cccc(C#N)n1 ZINC000877733947 650877567 /nfs/dbraw/zinc/87/75/67/650877567.db2.gz ZFTIKZKTUBTVFE-KRWDZBQOSA-N 0 3 278.359 2.230 20 30 CEEDHN C#C[C@@H](CC)NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000854069991 643976850 /nfs/dbraw/zinc/97/68/50/643976850.db2.gz GFACCTFOJDNNDH-INIZCTEOSA-N 0 3 291.439 2.306 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000838622734 643980426 /nfs/dbraw/zinc/98/04/26/643980426.db2.gz KHQITDAEOSMIJL-LSDHHAIUSA-N 0 3 279.428 2.162 20 30 CEEDHN C=CCN1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 ZINC000854100761 643984709 /nfs/dbraw/zinc/98/47/09/643984709.db2.gz WHGMUYLWHKEQOO-UHFFFAOYSA-N 0 3 283.379 2.243 20 30 CEEDHN CC(C)C#CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000854483798 644068331 /nfs/dbraw/zinc/06/83/31/644068331.db2.gz JBIWNRWYPBAZAU-NVXWUHKLSA-N 0 3 284.403 2.425 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000854664544 644122775 /nfs/dbraw/zinc/12/27/75/644122775.db2.gz WJZWFTPKFVPCCC-ZSHCYNCHSA-N 0 3 276.424 2.274 20 30 CEEDHN C=CCO[N-]C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000854852483 644184969 /nfs/dbraw/zinc/18/49/69/644184969.db2.gz OTSLOPOVLSILSN-INIZCTEOSA-N 0 3 288.391 2.175 20 30 CEEDHN C=CCO[N-]C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000854852483 644184978 /nfs/dbraw/zinc/18/49/78/644184978.db2.gz OTSLOPOVLSILSN-INIZCTEOSA-N 0 3 288.391 2.175 20 30 CEEDHN CCCn1cccc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753933655 644296336 /nfs/dbraw/zinc/29/63/36/644296336.db2.gz FGCKIHWQHMHXEX-KBPBESRZSA-N 0 3 273.384 2.092 20 30 CEEDHN CC(=NNC1=N[C@H]2CCCC[C@H]2N1)c1scnc1C ZINC000753937202 644297067 /nfs/dbraw/zinc/29/70/67/644297067.db2.gz WVOXZSMLTOZJAE-PHIMTYICSA-N 0 3 277.397 2.036 20 30 CEEDHN C#CCNC(=O)CN[C@@H](C)c1csc2ccccc21 ZINC000754735260 644422523 /nfs/dbraw/zinc/42/25/23/644422523.db2.gz SHXZQXFSFQRFAX-NSHDSACASA-N 0 3 272.373 2.301 20 30 CEEDHN C#CCN1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856598421 644697341 /nfs/dbraw/zinc/69/73/41/644697341.db2.gz HTXNYRMSNYYPJQ-QGZVFWFLSA-N 0 3 287.407 2.008 20 30 CEEDHN C#CCNC(=O)CN1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000839647185 644772549 /nfs/dbraw/zinc/77/25/49/644772549.db2.gz VKBRUVQUJVHOOQ-INIZCTEOSA-N 0 3 282.387 2.006 20 30 CEEDHN COc1ccc(N2CCC(NC[C@H](C)C#N)CC2)cc1 ZINC000757907851 644856452 /nfs/dbraw/zinc/85/64/52/644856452.db2.gz PUBODOYJIQPVIF-CYBMUJFWSA-N 0 3 273.380 2.413 20 30 CEEDHN C#CCCCC(=O)N(CCc1ccccc1)CCN(C)C ZINC000758063403 644877938 /nfs/dbraw/zinc/87/79/38/644877938.db2.gz ULYQQIFYJQBBMF-UHFFFAOYSA-N 0 3 286.419 2.423 20 30 CEEDHN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(N)cc1C ZINC000758120965 644884343 /nfs/dbraw/zinc/88/43/43/644884343.db2.gz XCUHKVWFAZNRSN-GJZGRUSLSA-N 0 3 285.395 2.161 20 30 CEEDHN C[C@@H](C#N)OCCN1Cc2ccccc2N(C)C[C@@H]1C ZINC000857566245 644921287 /nfs/dbraw/zinc/92/12/87/644921287.db2.gz YRAGQRPBKWNVQZ-KBPBESRZSA-N 0 3 273.380 2.256 20 30 CEEDHN COc1ccc(CNCc2cnccc2N(C)C)cc1C#N ZINC000759161007 644990455 /nfs/dbraw/zinc/99/04/55/644990455.db2.gz OHZAUQJYXQCMOU-UHFFFAOYSA-N 0 3 296.374 2.318 20 30 CEEDHN C=C(CC)CN1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759910421 645091191 /nfs/dbraw/zinc/09/11/91/645091191.db2.gz QFSQMWDNEWBUID-CQSZACIVSA-N 0 3 285.391 2.486 20 30 CEEDHN C#CC[C@H](COC)NCc1cn(-c2ccccc2)nc1C ZINC000858335977 645124041 /nfs/dbraw/zinc/12/40/41/645124041.db2.gz QAQNNGSWBLTKHZ-MRXNPFEDSA-N 0 3 283.375 2.309 20 30 CEEDHN C#CC[C@H](COC)NCc1ccc(OC(F)F)c(OC)c1 ZINC000858335853 645124280 /nfs/dbraw/zinc/12/42/80/645124280.db2.gz KQICOHKJGUMVJJ-GFCCVEGCSA-N 0 3 299.317 2.425 20 30 CEEDHN CCc1ccccc1OCC(=O)C(C#N)c1ccncn1 ZINC000760356146 645146597 /nfs/dbraw/zinc/14/65/97/645146597.db2.gz FLFFWPLREZLOMM-CYBMUJFWSA-N 0 3 281.315 2.294 20 30 CEEDHN C=C(C)COCC[NH2+]Cc1c([O-])cccc1OC ZINC000761987633 645345885 /nfs/dbraw/zinc/34/58/85/645345885.db2.gz ZFCDPPJOKVHRLL-UHFFFAOYSA-N 0 3 251.326 2.083 20 30 CEEDHN C#CCCOC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000859154306 645391707 /nfs/dbraw/zinc/39/17/07/645391707.db2.gz BTLXJHLGZWNSDQ-STQMWFEESA-N 0 3 278.352 2.458 20 30 CEEDHN Cc1ccc(CNC(C)(C)C(=O)N2CCCC2)cc1C#N ZINC000859290471 645447774 /nfs/dbraw/zinc/44/77/74/645447774.db2.gz ZTNXXCZJZWUSLO-UHFFFAOYSA-N 0 3 285.391 2.357 20 30 CEEDHN CCOC(=O)C(F)(F)[C@@H]1CC[C@H](NC[C@H](C)C#N)C1 ZINC000764671137 645673196 /nfs/dbraw/zinc/67/31/96/645673196.db2.gz ICFATULCUITOEB-MXWKQRLJSA-N 0 3 274.311 2.103 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@]23CCOC3)c1 ZINC000764762115 645686803 /nfs/dbraw/zinc/68/68/03/645686803.db2.gz RAYCBYHQEZMTAB-KEYYUXOJSA-N 0 3 298.342 2.069 20 30 CEEDHN C#CCN(CC)Cc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000769111452 646208534 /nfs/dbraw/zinc/20/85/34/646208534.db2.gz OWBIROGACGZSMR-UHFFFAOYSA-N 0 3 289.375 2.310 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC000861838204 646277731 /nfs/dbraw/zinc/27/77/31/646277731.db2.gz UXSWFLCAFQRWJZ-UHFFFAOYSA-N 0 3 299.418 2.454 20 30 CEEDHN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccccc1N(C)C ZINC000769583681 646288780 /nfs/dbraw/zinc/28/87/80/646288780.db2.gz FFXULOROFUGNDE-GJZGRUSLSA-N 0 3 299.422 2.337 20 30 CEEDHN C#CC[C@H](COC)NCc1ccc(C(=O)OC)c(Cl)c1 ZINC000862551352 646496628 /nfs/dbraw/zinc/49/66/28/646496628.db2.gz SVFVQWIMBSSZCV-GFCCVEGCSA-N 0 3 295.766 2.255 20 30 CEEDHN CCCCCCCC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000774288870 646829354 /nfs/dbraw/zinc/82/93/54/646829354.db2.gz BPCJQTXEXCPAQB-UHFFFAOYSA-N 0 3 256.390 2.489 20 30 CEEDHN Cc1cc(CN2CCC(c3nnc[nH]3)CC2)ccc1C#N ZINC000774910553 646907943 /nfs/dbraw/zinc/90/79/43/646907943.db2.gz ZSHONRYOIBQRNR-UHFFFAOYSA-N 0 3 281.363 2.364 20 30 CEEDHN C#CCNC(=O)CN[C@@H](c1ccccc1C)C(C)(C)C ZINC000775463024 646957219 /nfs/dbraw/zinc/95/72/19/646957219.db2.gz HIIUSEKYTVPDTI-INIZCTEOSA-N 0 3 272.392 2.421 20 30 CEEDHN C#CCNC(=O)CN[C@H](c1cccc(C)c1)C(C)(C)C ZINC000775524058 646963080 /nfs/dbraw/zinc/96/30/80/646963080.db2.gz PLBHDOYEGXKGGK-MRXNPFEDSA-N 0 3 272.392 2.421 20 30 CEEDHN C[C@H]1CCN(Cc2ccccc2)CC1=Nn1cnnc1 ZINC000776176704 647032494 /nfs/dbraw/zinc/03/24/94/647032494.db2.gz DBMLRBXTSNHPGM-ZDUSSCGKSA-N 0 3 269.352 2.024 20 30 CEEDHN CC1(C)C(=Nn2cnnc2)C[C@@H]1OCc1ccccc1 ZINC000776756845 647087752 /nfs/dbraw/zinc/08/77/52/647087752.db2.gz DELIMFZNDHENBJ-AWEZNQCLSA-N 0 3 270.336 2.498 20 30 CEEDHN C[C@@H](CNC(=O)c1coc(C#N)c1)N1CCC(C)CC1 ZINC000865028517 647159420 /nfs/dbraw/zinc/15/94/20/647159420.db2.gz IUQVHXNIPGMYEQ-LBPRGKRZSA-N 0 3 275.352 2.001 20 30 CEEDHN Clc1ccnc(N=NC2CN3CCC2CC3)c1 ZINC000777906669 647189795 /nfs/dbraw/zinc/18/97/95/647189795.db2.gz ZNCDKENDUWLHBT-UHFFFAOYSA-N 0 3 250.733 2.229 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cn(C2CC2)cn1 ZINC000865552855 647356813 /nfs/dbraw/zinc/35/68/13/647356813.db2.gz ITNVKTIVCJHMTD-IUODEOHRSA-N 0 3 261.369 2.289 20 30 CEEDHN CC(C)(O)CN1CC[C@H](Nc2c(Cl)cccc2C#N)C1 ZINC000865999637 647567766 /nfs/dbraw/zinc/56/77/66/647567766.db2.gz WMTKPDVSIANOMM-LBPRGKRZSA-N 0 3 293.798 2.469 20 30 CEEDHN CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866237755 647687239 /nfs/dbraw/zinc/68/72/39/647687239.db2.gz LJHURYRQMPJRGL-STQMWFEESA-N 0 3 273.380 2.256 20 30 CEEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H]2COC[C@@H]2O)cc1 ZINC000866418645 647780801 /nfs/dbraw/zinc/78/08/01/647780801.db2.gz OVWPDXQBDQJNLW-GLQYFDAESA-N 0 3 297.782 2.228 20 30 CEEDHN C[C@@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1ccn(C)n1 ZINC000866615905 647843386 /nfs/dbraw/zinc/84/33/86/647843386.db2.gz JNDMMZUOZCFTDY-IAQYHMDHSA-N 0 3 266.348 2.110 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CO[C@@H](C)C3)nc21 ZINC000784518925 647858145 /nfs/dbraw/zinc/85/81/45/647858145.db2.gz WEBYPZRBUNTTIY-QJPTWQEYSA-N 0 3 283.331 2.473 20 30 CEEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3CO[C@@H](C)C3)[nH]c21 ZINC000784518925 647858151 /nfs/dbraw/zinc/85/81/51/647858151.db2.gz WEBYPZRBUNTTIY-QJPTWQEYSA-N 0 3 283.331 2.473 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000923604334 647956362 /nfs/dbraw/zinc/95/63/62/647956362.db2.gz FVTOWCFQKWIAQJ-QWHCGFSZSA-N 0 3 267.417 2.371 20 30 CEEDHN N#CC(C(=O)C1CCN(CC(F)F)CC1)c1ccccn1 ZINC000805853409 648143268 /nfs/dbraw/zinc/14/32/68/648143268.db2.gz IWHQDYBCAMIQBR-LBPRGKRZSA-N 0 3 293.317 2.235 20 30 CEEDHN CCCCCCCCCN1CC[C@@H](S(N)(=O)=O)C1 ZINC000792265194 648632333 /nfs/dbraw/zinc/63/23/33/648632333.db2.gz JEAXCJGMOLJYOM-CYBMUJFWSA-N 0 3 276.446 2.100 20 30 CEEDHN C#C[C@H](NCc1ccc(-n2ccnc2)cc1C)[C@@H]1CCCO1 ZINC000792287992 648635405 /nfs/dbraw/zinc/63/54/05/648635405.db2.gz XZPJJHSTXUHNDG-ROUUACIJSA-N 0 3 295.386 2.451 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](OC2CCC2)CC1 ZINC000872276831 649340158 /nfs/dbraw/zinc/34/01/58/649340158.db2.gz MPTUGTKXZKZRGN-UKRRQHHQSA-N 0 3 280.412 2.101 20 30 CEEDHN CN1CCC[C@H]2[C@H]1CCN2c1nc(C#N)c(Cl)s1 ZINC000872778303 649486104 /nfs/dbraw/zinc/48/61/04/649486104.db2.gz FUTIWOCDGNPNPV-ZJUUUORDSA-N 0 3 282.800 2.341 20 30 CEEDHN C#C[C@H]1CC[C@H](NCc2ncc(CN(C)C)s2)CC1 ZINC000873197860 649585767 /nfs/dbraw/zinc/58/57/67/649585767.db2.gz GROXSWLGPUALIH-JOCQHMNTSA-N 0 3 277.437 2.486 20 30 CEEDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(F)c(C#N)c1 ZINC000874829946 649844363 /nfs/dbraw/zinc/84/43/63/649844363.db2.gz OSLUSBYPXLPTOT-CABCVRRESA-N 0 3 287.338 2.006 20 30 CEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(F)c(C#N)c1 ZINC000874829948 649844448 /nfs/dbraw/zinc/84/44/48/649844448.db2.gz OSLUSBYPXLPTOT-HUUCEWRRSA-N 0 3 287.338 2.006 20 30 CEEDHN C#CCCCCCN1CCN(C(C)=O)CC1(C)C ZINC000878372450 651077689 /nfs/dbraw/zinc/07/76/89/651077689.db2.gz CBGQYPHEMANKBI-UHFFFAOYSA-N 0 3 250.386 2.123 20 30 CEEDHN CC1(C#N)CCN(C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000878389732 651083851 /nfs/dbraw/zinc/08/38/51/651083851.db2.gz RQQGXGWMFYVMPH-CVEARBPZSA-N 0 3 288.391 2.097 20 30 CEEDHN C#CCCCCCN(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000878458059 651102363 /nfs/dbraw/zinc/10/23/63/651102363.db2.gz JJLQXTGPTWGPIH-ZDUSSCGKSA-N 0 3 252.402 2.415 20 30 CEEDHN C[C@@H]1CN(C[C@H]2CCCC(C)(C)O2)C[C@@H](C)N1CC#N ZINC000878771402 651182201 /nfs/dbraw/zinc/18/22/01/651182201.db2.gz KFHZOBJRFCALCP-RBSFLKMASA-N 0 3 279.428 2.252 20 30 CEEDHN C#CCCCCCN[C@@H](c1nccn1C)C(C)(C)CO ZINC000878870774 651201418 /nfs/dbraw/zinc/20/14/18/651201418.db2.gz CYEYNQNABYQURD-AWEZNQCLSA-N 0 3 277.412 2.263 20 30 CEEDHN C[C@@H](C#N)OCCN1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000878904257 651206793 /nfs/dbraw/zinc/20/67/93/651206793.db2.gz JNNQSCCYGUBNSF-ZFWWWQNUSA-N 0 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ZINC001270946607 805695715 /nfs/dbraw/zinc/69/57/15/805695715.db2.gz CCDMXFBHRRSJPX-HNNXBMFYSA-N 0 3 287.407 2.130 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)[C@@H]2C1 ZINC001075815183 805756157 /nfs/dbraw/zinc/75/61/57/805756157.db2.gz LZNQYRQABYDUSD-DRRXZNNHSA-N 0 3 286.419 2.307 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C3CCCCC3)C[C@@H]2C1 ZINC001087870211 805829288 /nfs/dbraw/zinc/82/92/88/805829288.db2.gz BEIBJYOXCAHHFA-SJORKVTESA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)C3CCC3)C[C@@H]2C1 ZINC001088009634 805880059 /nfs/dbraw/zinc/88/00/59/805880059.db2.gz OARQMQNTLWGUIA-UAGQMJEPSA-N 0 3 288.435 2.226 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001075863780 806094013 /nfs/dbraw/zinc/09/40/13/806094013.db2.gz JYOBUTIMSMLXHC-RWMBFGLXSA-N 0 3 284.350 2.141 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)CC(C1CC1)C1CC1 ZINC001272178134 806569735 /nfs/dbraw/zinc/56/97/35/806569735.db2.gz DNVSBIVNGITOFV-UHFFFAOYSA-N 0 3 264.413 2.389 20 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C=CCN(CC)CCNC(=O)c1c(C)ccnc1OCC ZINC001266405932 802536921 /nfs/dbraw/zinc/53/69/21/802536921.db2.gz MLPTXNWYDDEYOM-UHFFFAOYSA-N 0 3 291.395 2.026 20 30 CEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCOC1 ZINC001266480952 802625359 /nfs/dbraw/zinc/62/53/59/802625359.db2.gz CFKADYSROATEMS-HRCADAONSA-N 0 3 292.423 2.054 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@H]3CCC(C)(C)C3)C2)C1 ZINC001041638035 802632133 /nfs/dbraw/zinc/63/21/33/802632133.db2.gz HDHJQSLSJWXYGQ-MAUKXSAKSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)CCC2CCCC2)C1 ZINC001266500516 802636962 /nfs/dbraw/zinc/63/69/62/802636962.db2.gz SCIGWELLOGLPRT-MRXNPFEDSA-N 0 3 276.424 2.418 20 30 CEEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001266541008 802696350 /nfs/dbraw/zinc/69/63/50/802696350.db2.gz TVLWRVMLBQINLC-JONQDZQNSA-N 0 3 274.408 2.027 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001266571338 802727259 /nfs/dbraw/zinc/72/72/59/802727259.db2.gz QISDDZDQFOKJEX-RDJZCZTQSA-N 0 3 276.424 2.418 20 30 CEEDHN C#CCN(CCC)CCNC(=O)Cc1coc2ccccc12 ZINC001266575191 802729155 /nfs/dbraw/zinc/72/91/55/802729155.db2.gz FYKYTZMNXUNBLM-UHFFFAOYSA-N 0 3 298.386 2.437 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](NCc2c(C)noc2C)C1 ZINC001266612107 802771655 /nfs/dbraw/zinc/77/16/55/802771655.db2.gz ICHDBWJSUMQNJW-JOCQHMNTSA-N 0 3 291.395 2.240 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCCC#CC)C1 ZINC001266705642 802852484 /nfs/dbraw/zinc/85/24/84/802852484.db2.gz OOUPBSAAIBMLNQ-BETUJISGSA-N 0 3 268.788 2.169 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)CC(C)(C)C)C1 ZINC001266891707 802973655 /nfs/dbraw/zinc/97/36/55/802973655.db2.gz QDGCLWGBRVEKLU-KGLIPLIRSA-N 0 3 264.413 2.273 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)OCC1CC1 ZINC001279541323 803012786 /nfs/dbraw/zinc/01/27/86/803012786.db2.gz JEHVAZGGWXYUBD-CWRNSKLLSA-N 0 3 292.423 2.053 20 30 CEEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](C)Cc2ccccc2C)C1 ZINC001267026570 803067202 /nfs/dbraw/zinc/06/72/02/803067202.db2.gz 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ZINC001267517546 803521400 /nfs/dbraw/zinc/52/14/00/803521400.db2.gz QHBIJZJIADHPOL-DZGCQCFKSA-N 0 3 276.380 2.045 20 30 CEEDHN C=CCN1CCC2(CC1)CN(C(=O)C1(C)CC1)C[C@H](C)O2 ZINC001098603166 803627077 /nfs/dbraw/zinc/62/70/77/803627077.db2.gz LBNLPYUPDRONNL-AWEZNQCLSA-N 0 3 292.423 2.054 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CCCOC(C)C)C1 ZINC001267621460 803627139 /nfs/dbraw/zinc/62/71/39/803627139.db2.gz VKFFTDAZQQHDQM-OAHLLOKOSA-N 0 3 282.428 2.348 20 30 CEEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CCCCC1 ZINC000395271258 803671797 /nfs/dbraw/zinc/67/17/97/803671797.db2.gz RRKDOXMIILRGKT-DOMZBBRYSA-N 0 3 250.386 2.215 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@H](C)C(F)(F)F)C1 ZINC001267749087 803704992 /nfs/dbraw/zinc/70/49/92/803704992.db2.gz JGVJKDYTJFDGKH-WDEREUQCSA-N 0 3 278.318 2.342 20 30 CEEDHN C=CCN1CC[C@H](N(C)C(=O)CCC2(C)CC2)C1 ZINC001267774125 803726523 /nfs/dbraw/zinc/72/65/23/803726523.db2.gz FHFMEEUPFBPUJM-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H](C)OCCCC)C1 ZINC001267781347 803731119 /nfs/dbraw/zinc/73/11/19/803731119.db2.gz GFOVNLJCLPPFHH-JKSUJKDBSA-N 0 3 294.439 2.138 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C)C[C@H]21 ZINC001042324610 803831025 /nfs/dbraw/zinc/83/10/25/803831025.db2.gz XJXQHDOLJQQHKC-CHWSQXEVSA-N 0 3 250.386 2.141 20 30 CEEDHN C#CCCCCC(=O)NCCNCc1ccsc1 ZINC001125938738 803852957 /nfs/dbraw/zinc/85/29/57/803852957.db2.gz IEKJWUJIOWBXAQ-UHFFFAOYSA-N 0 3 264.394 2.148 20 30 CEEDHN O=C(CCNCC#Cc1ccccc1)N1CCCCC1 ZINC000123997749 803894885 /nfs/dbraw/zinc/89/48/85/803894885.db2.gz RGHUOGDSPYRTAU-UHFFFAOYSA-N 0 3 270.376 2.030 20 30 CEEDHN C=C/C(C)=C/CC(=O)N1C[C@H](NCC#CC)C[C@@H]1C ZINC001284004299 803909163 /nfs/dbraw/zinc/90/91/63/803909163.db2.gz QSPYFESAWRFYKH-WAYTWBJWSA-N 0 3 260.381 2.111 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](CNCc2ocnc2C)C1 ZINC001026991980 803931807 /nfs/dbraw/zinc/93/18/07/803931807.db2.gz DXBYHVPPDVERBV-ZDUSSCGKSA-N 0 3 291.395 2.133 20 30 CEEDHN C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001026995036 803934336 /nfs/dbraw/zinc/93/43/36/803934336.db2.gz ASLXCZVGBUJJSW-JKIFEVAISA-N 0 3 297.402 2.152 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@H](CNCc2cc(C)no2)C1 ZINC001026993756 803934675 /nfs/dbraw/zinc/93/46/75/803934675.db2.gz IMEVZYDACTYHGT-CYBMUJFWSA-N 0 3 291.395 2.133 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001038691250 803961023 /nfs/dbraw/zinc/96/10/23/803961023.db2.gz MIUBTABPXAZLLQ-JTQLQIEISA-N 0 3 298.337 2.118 20 30 CEEDHN CC(=O)N1CCC[C@H](N(C)Cc2ccc(F)c(C#N)c2)C1 ZINC001027255108 803995085 /nfs/dbraw/zinc/99/50/85/803995085.db2.gz AHADYRUFJRFWGE-HNNXBMFYSA-N 0 3 289.354 2.140 20 30 CEEDHN CC(=O)N1CCC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001027255324 803995342 /nfs/dbraw/zinc/99/53/42/803995342.db2.gz CQNYRPONIUDOBL-MRXNPFEDSA-N 0 3 271.364 2.001 20 30 CEEDHN CCC(=O)N1CCC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001027259229 804004640 /nfs/dbraw/zinc/00/46/40/804004640.db2.gz GYWBQUTZPWCYEA-MRXNPFEDSA-N 0 3 285.391 2.391 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccsc2C)C1 ZINC001027402584 804063244 /nfs/dbraw/zinc/06/32/44/804063244.db2.gz RDRWOBRTWGFWTD-ZDUSSCGKSA-N 0 3 276.405 2.226 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@](C)(C=C)CC)C1 ZINC001027559566 804122383 /nfs/dbraw/zinc/12/23/83/804122383.db2.gz BJZPVLOCQQCYSI-HOCLYGCPSA-N 0 3 262.397 2.145 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)c2cccs2)C1 ZINC001027571752 804130337 /nfs/dbraw/zinc/13/03/37/804130337.db2.gz GIORYEUVCJLZGH-KGLIPLIRSA-N 0 3 290.432 2.408 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c[nH]cc2C2CC2)C1 ZINC001027634020 804167249 /nfs/dbraw/zinc/16/72/49/804167249.db2.gz SWNPROVGFLHPIZ-CQSZACIVSA-N 0 3 285.391 2.062 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC001027672609 804189778 /nfs/dbraw/zinc/18/97/78/804189778.db2.gz FJOUCQBEGIPEGP-OAHLLOKOSA-N 0 3 292.329 2.134 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001027812974 804270777 /nfs/dbraw/zinc/27/07/77/804270777.db2.gz 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/nfs/dbraw/zinc/45/12/39/804451239.db2.gz RSJLTAMJRUCPFL-GFCCVEGCSA-N 0 3 279.409 2.222 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001028108656 804466609 /nfs/dbraw/zinc/46/66/09/804466609.db2.gz UCWWFQUOHGCZEA-DOTOQJQBSA-N 0 3 284.403 2.483 20 30 CEEDHN C#CC[C@@H]1CCCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC001118494971 815020662 /nfs/dbraw/zinc/02/06/62/815020662.db2.gz ODIHXZKDLQNONM-RRFJBIMHSA-N 0 3 289.423 2.057 20 30 CEEDHN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCc1cnc(C)s1 ZINC001282096635 804497135 /nfs/dbraw/zinc/49/71/35/804497135.db2.gz KLXLMTGHURJENP-MNOVXSKESA-N 0 3 281.425 2.401 20 30 CEEDHN C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001268188260 804534069 /nfs/dbraw/zinc/53/40/69/804534069.db2.gz RUHJQDPVMBHKIU-HIFRSBDPSA-N 0 3 288.391 2.409 20 30 CEEDHN C=C1CC(C)(C(=O)NC[C@H](NCCF)C(C)C)C1 ZINC001268216111 804549710 /nfs/dbraw/zinc/54/97/10/804549710.db2.gz HORZCKRFVJJYMB-LBPRGKRZSA-N 0 3 256.365 2.043 20 30 CEEDHN C=CCCC(=O)N1CCC[C@@H](NCc2cnc(C)s2)C1 ZINC001207635140 804551033 /nfs/dbraw/zinc/55/10/33/804551033.db2.gz IHYVGOIAFVPNEN-CYBMUJFWSA-N 0 3 293.436 2.498 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)[C@@]1(C)CCC[C@H]1C ZINC001268249532 804573467 /nfs/dbraw/zinc/57/34/67/804573467.db2.gz VNCIGIRCQUNTFS-ZBFHGGJFSA-N 0 3 264.413 2.226 20 30 CEEDHN CC#CCNCCN(CC)C(=O)C[C@@H]1CCC[C@@H]1C ZINC001268452320 804696527 /nfs/dbraw/zinc/69/65/27/804696527.db2.gz CSGMILYCUGWSBP-GJZGRUSLSA-N 0 3 264.413 2.274 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(C)CC2 ZINC001028295665 804698744 /nfs/dbraw/zinc/69/87/44/804698744.db2.gz SANRGQXLHYXGPU-MRXNPFEDSA-N 0 3 299.418 2.059 20 30 CEEDHN C#CCNCCN(CC)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001268464158 804704885 /nfs/dbraw/zinc/70/48/85/804704885.db2.gz DRKJJLMTYYTVQS-GJZGRUSLSA-N 0 3 276.424 2.296 20 30 CEEDHN C=C(Cl)CNCCN(CC)C(=O)c1cc(CCC)[nH]n1 ZINC001268467662 804711224 /nfs/dbraw/zinc/71/12/24/804711224.db2.gz JCIJJFKJMXMMCB-UHFFFAOYSA-N 0 3 298.818 2.166 20 30 CEEDHN CC#CCNCCN(CC)C(=O)C1(CC)CCCC1 ZINC001268488911 804750550 /nfs/dbraw/zinc/75/05/50/804750550.db2.gz OVMZKJKCYSYECH-UHFFFAOYSA-N 0 3 264.413 2.418 20 30 CEEDHN C#CCNC/C=C/CNC(=O)[C@H](CC)OC1CCCCC1 ZINC001268542652 804812058 /nfs/dbraw/zinc/81/20/58/804812058.db2.gz RMKBCABQORVDDC-FDMDGMSGSA-N 0 3 292.423 2.010 20 30 CEEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC#N)C1 ZINC000426439085 804825763 /nfs/dbraw/zinc/82/57/63/804825763.db2.gz GEDUUBMNFXNJRQ-UKRRQHHQSA-N 0 3 286.379 2.035 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2cccc(Cl)c2C)C1 ZINC001028556686 804836572 /nfs/dbraw/zinc/83/65/72/804836572.db2.gz GEXXAKCDILPGNT-ZDUSSCGKSA-N 0 3 290.794 2.333 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc(F)c(F)c2)C1 ZINC001028592776 804877003 /nfs/dbraw/zinc/87/70/03/804877003.db2.gz BRIGRIBQKRAPQK-LBPRGKRZSA-N 0 3 292.329 2.040 20 30 CEEDHN C#CCNC/C=C/CNC(=O)[C@H](C)Cc1ccccc1C ZINC001268634864 804897808 /nfs/dbraw/zinc/89/78/08/804897808.db2.gz WUUBIHYKVKUWEM-KXPUMZMLSA-N 0 3 284.403 2.069 20 30 CEEDHN Cc1cncc(CNC[C@@H](C)NC(=O)C#CC(C)(C)C)c1 ZINC001268645977 804907552 /nfs/dbraw/zinc/90/75/52/804907552.db2.gz LHMZJIVDALBDHZ-CQSZACIVSA-N 0 3 287.407 2.034 20 30 CEEDHN C=CCCC(=O)N[C@H](C)CN(C)C[C@@H]1CC(C)(C)CO1 ZINC001268726015 804946588 /nfs/dbraw/zinc/94/65/88/804946588.db2.gz WQRFGFKPTMJNTN-KGLIPLIRSA-N 0 3 282.428 2.204 20 30 CEEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc(C)co1 ZINC001268817011 804980882 /nfs/dbraw/zinc/98/08/82/804980882.db2.gz AUDXQIJRTINSTG-UHFFFAOYSA-N 0 3 270.760 2.392 20 30 CEEDHN C=CCOCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@H](C)CC(C)C ZINC001268929814 805003864 /nfs/dbraw/zinc/00/38/64/805003864.db2.gz MPJYDTYCDSSZQU-PMPSAXMXSA-N 0 3 294.439 2.156 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cccnc2C2CC2)C1 ZINC001028659762 805031458 /nfs/dbraw/zinc/03/14/58/805031458.db2.gz XLVYXNLNMJSVBK-AWEZNQCLSA-N 0 3 297.402 2.034 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2CCN([C@@H](C)COC)C2)CCCC1 ZINC001269101044 805047374 /nfs/dbraw/zinc/04/73/74/805047374.db2.gz NNCPLTRJQBFEDU-GJZGRUSLSA-N 0 3 294.439 2.348 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2c[nH]c3ccccc23)C1 ZINC001028667015 805057547 /nfs/dbraw/zinc/05/75/47/805057547.db2.gz KVFIEGPOHSPXJU-AWEZNQCLSA-N 0 3 295.386 2.243 20 30 CEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cncc(C)c1 ZINC001269216727 805086330 /nfs/dbraw/zinc/08/63/30/805086330.db2.gz WZDWTBKPRRKKHX-HNNXBMFYSA-N 0 3 273.380 2.160 20 30 CEEDHN C=CCCCN1CC[C@H]1CNC(=O)c1c[nH]nc1CCC ZINC001269254988 805101424 /nfs/dbraw/zinc/10/14/24/805101424.db2.gz JOKNMDIPDNDOIF-ZDUSSCGKSA-N 0 3 290.411 2.133 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](C)C(F)(F)F ZINC001269273346 805107568 /nfs/dbraw/zinc/10/75/68/805107568.db2.gz VZUQOBFOBNRVTD-MNOVXSKESA-N 0 3 278.318 2.342 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN1C[C@H]1CCCOC1 ZINC001269271903 805107673 /nfs/dbraw/zinc/10/76/73/805107673.db2.gz FXCIBXJJPWKOGG-HUUCEWRRSA-N 0 3 294.439 2.206 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001028700177 805130412 /nfs/dbraw/zinc/13/04/12/805130412.db2.gz 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/nfs/dbraw/zinc/33/79/61/805337961.db2.gz MPCNUAAMVFPYQH-HNNXBMFYSA-N 0 3 299.418 2.288 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2cc(C(C)C)oc2C)C1 ZINC001028900707 805344337 /nfs/dbraw/zinc/34/43/37/805344337.db2.gz IYSIRYITHQCFJK-CQSZACIVSA-N 0 3 288.391 2.396 20 30 CEEDHN CC(=O)N1CCC[C@@H]1CNCC#Cc1cccc(Cl)c1 ZINC001270158055 805356860 /nfs/dbraw/zinc/35/68/60/805356860.db2.gz OSAPUJOZBWOVLZ-MRXNPFEDSA-N 0 3 290.794 2.292 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@H](OC)[C@@H](C)CC)CC1 ZINC001270236930 805377341 /nfs/dbraw/zinc/37/73/41/805377341.db2.gz CUYZFWQXTBZWDE-UONOGXRCSA-N 0 3 282.428 2.204 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2cccc(C)c2C)C1 ZINC001028965454 805390232 /nfs/dbraw/zinc/39/02/32/805390232.db2.gz GZIIHVFZUUISQA-MRXNPFEDSA-N 0 3 284.403 2.378 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001029007398 805428737 /nfs/dbraw/zinc/42/87/37/805428737.db2.gz YRUAARIUJHCRLP-CQSZACIVSA-N 0 3 282.387 2.249 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(CC)c(CC)c2)C1 ZINC001029028983 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C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CC23CCC3)[C@H]1C ZINC001088887038 807263392 /nfs/dbraw/zinc/26/33/92/807263392.db2.gz OMBYASWLILWXJY-RDBSUJKOSA-N 0 3 262.397 2.332 20 30 CEEDHN C=CCN1CCN([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168435967 807423975 /nfs/dbraw/zinc/42/39/75/807423975.db2.gz BDQJTAGAJGJJES-QGZVFWFLSA-N 0 3 274.383 2.487 20 30 CEEDHN C=CCN1C(=O)COCC12CN(C[C@H](CC)CCCC)C2 ZINC001272431478 807484206 /nfs/dbraw/zinc/48/42/06/807484206.db2.gz VVGACEFFSGUIFU-OAHLLOKOSA-N 0 3 294.439 2.302 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccoc2C)CC(C)(C)C1 ZINC001089317457 807663725 /nfs/dbraw/zinc/66/37/25/807663725.db2.gz UXSJNJQVHOCHQN-AWEZNQCLSA-N 0 3 288.391 2.442 20 30 CEEDHN C#CCOc1ccccc1CN[C@H]1COC[C@@H]1CC ZINC000699537024 807741917 /nfs/dbraw/zinc/74/19/17/807741917.db2.gz QGNWBYUUDBUVSP-ZFWWWQNUSA-N 0 3 259.349 2.213 20 30 CEEDHN C#CC[C@@H](COC)NCc1cccc2c1NCCC2 ZINC000716810646 815149150 /nfs/dbraw/zinc/14/91/50/815149150.db2.gz HXCMSRWVKMPMCK-HNNXBMFYSA-N 0 3 258.365 2.173 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC001119777762 815158431 /nfs/dbraw/zinc/15/84/31/815158431.db2.gz VAWYGLVOLNDXEO-BPUTZDHNSA-N 0 3 277.364 2.114 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccccc2)CC(C)(C)C1 ZINC001089423732 807968445 /nfs/dbraw/zinc/96/84/45/807968445.db2.gz NLZIUSGZIIGLPU-KRWDZBQOSA-N 0 3 298.430 2.469 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2nc(C(C)C)oc2C)C1 ZINC001031666364 808045971 /nfs/dbraw/zinc/04/59/71/808045971.db2.gz NSWFOMIFLKYROZ-UHFFFAOYSA-N 0 3 291.395 2.344 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CCOCC1 ZINC001089600530 808068530 /nfs/dbraw/zinc/06/85/30/808068530.db2.gz GDIJWVHMVQFAII-HNNXBMFYSA-N 0 3 294.439 2.206 20 30 CEEDHN C#CCCN1CC(CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001031764886 808123820 /nfs/dbraw/zinc/12/38/20/808123820.db2.gz NZZTVKLTXYQKMZ-MRXNPFEDSA-N 0 3 274.408 2.194 20 30 CEEDHN C[C@@H]1C[C@H]1CN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001272691576 808158760 /nfs/dbraw/zinc/15/87/60/808158760.db2.gz GMWOKNFUJZOBEH-VYDXJSESSA-N 0 3 289.423 2.403 20 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0 3 274.364 2.161 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1ccccc1OC ZINC001171826362 815233971 /nfs/dbraw/zinc/23/39/71/815233971.db2.gz SRMAZNPXMSDEQE-UHFFFAOYSA-N 0 3 282.771 2.157 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C ZINC001032746270 808827523 /nfs/dbraw/zinc/82/75/23/808827523.db2.gz JSXGBXCSTFQSEB-STQMWFEESA-N 0 3 250.386 2.284 20 30 CEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ccc[nH]2)C12CCC2 ZINC001078552959 808912877 /nfs/dbraw/zinc/91/28/77/808912877.db2.gz BKCUXGRBKUJIRV-CHWSQXEVSA-N 0 3 293.798 2.398 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc3occc3[nH]2)C1 ZINC001033129780 809195358 /nfs/dbraw/zinc/19/53/58/809195358.db2.gz YRQODJYDKNKRDX-LBPRGKRZSA-N 0 3 287.363 2.483 20 30 CEEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001033184560 809227651 /nfs/dbraw/zinc/22/76/51/809227651.db2.gz PEPUEXXEPZNXMT-CABCVRRESA-N 0 3 262.397 2.452 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccn3nccc23)C1 ZINC001033226643 809239330 /nfs/dbraw/zinc/23/93/30/809239330.db2.gz 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/nfs/dbraw/zinc/40/81/00/809408100.db2.gz ZAJWWUDYTMFQKR-LBPRGKRZSA-N 0 3 279.409 2.256 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CC2(F)F)C1 ZINC001033824185 809424430 /nfs/dbraw/zinc/42/44/30/809424430.db2.gz YTWBJBWKEMCCII-NWDGAFQWSA-N 0 3 272.339 2.141 20 30 CEEDHN Cc1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1C#N ZINC000701860750 809471698 /nfs/dbraw/zinc/47/16/98/809471698.db2.gz HPSJIDGCQRHCIK-GFCCVEGCSA-N 0 3 272.270 2.270 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001034101072 809512603 /nfs/dbraw/zinc/51/26/03/809512603.db2.gz HRDCDXZLKMMLCN-GJZGRUSLSA-N 0 3 262.397 2.499 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034158565 809530069 /nfs/dbraw/zinc/53/00/69/809530069.db2.gz CACQFCCIPITAHR-CQSZACIVSA-N 0 3 286.379 2.047 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc[nH]c2C)C1 ZINC001034150330 809534369 /nfs/dbraw/zinc/53/43/69/809534369.db2.gz MXHUEBVTJAEPLW-CYBMUJFWSA-N 0 3 261.369 2.093 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cncc(F)c2)C1 ZINC001034154155 809535673 /nfs/dbraw/zinc/53/56/73/809535673.db2.gz JCFDYTZOXBWEFX-HNNXBMFYSA-N 0 3 291.370 2.381 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001034185610 809543990 /nfs/dbraw/zinc/54/39/90/809543990.db2.gz SXPPIGHAJNRPNC-WOPDTQHZSA-N 0 3 272.339 2.044 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccsn2)C1 ZINC001034261887 809566645 /nfs/dbraw/zinc/56/66/45/809566645.db2.gz GNZYGWVNZRYNFI-LBPRGKRZSA-N 0 3 279.409 2.304 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001034269861 809567621 /nfs/dbraw/zinc/56/76/21/809567621.db2.gz VWMHLSZRKWLXNQ-AWEZNQCLSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001034322801 809580014 /nfs/dbraw/zinc/58/00/14/809580014.db2.gz DPZJAAFLILWYPR-IIAWOOMASA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001034514292 809623416 /nfs/dbraw/zinc/62/34/16/809623416.db2.gz HMPVVUFNIZNSFG-CYBMUJFWSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC001034516074 809623519 /nfs/dbraw/zinc/62/35/19/809623519.db2.gz NENFABLAGGAQIS-HNNXBMFYSA-N 0 3 289.423 2.412 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)C2CCOCC2)C1 ZINC001034552959 809630801 /nfs/dbraw/zinc/63/08/01/809630801.db2.gz HRKCZRCXUOIFJX-ZBFHGGJFSA-N 0 3 294.439 2.206 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1ccns1 ZINC001035014826 809732279 /nfs/dbraw/zinc/73/22/79/809732279.db2.gz QXHIELZJOOAULP-GFCCVEGCSA-N 0 3 293.436 2.436 20 30 CEEDHN CCCCCCCNC(=O)[C@@]1(COC)CCCCN1 ZINC000705858658 809791628 /nfs/dbraw/zinc/79/16/28/809791628.db2.gz AVRYAWMRBBEWOG-HNNXBMFYSA-N 0 3 270.417 2.232 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)C1(CC)CC1)CC2 ZINC001035783698 809814357 /nfs/dbraw/zinc/81/43/57/809814357.db2.gz KBVXEGYIMXOUSF-UHFFFAOYSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CC[C@H](F)C1)CC2 ZINC001035777546 809817005 /nfs/dbraw/zinc/81/70/05/809817005.db2.gz LQVZTLUHINEUHV-GJZGRUSLSA-N 0 3 292.398 2.072 20 30 CEEDHN C[C@]1(C(F)(F)F)CCN(CCOCCC#N)C1 ZINC000708723478 809934273 /nfs/dbraw/zinc/93/42/73/809934273.db2.gz OICNEBCODHSYMB-JTQLQIEISA-N 0 3 250.264 2.191 20 30 CEEDHN C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@@H]21 ZINC001036652864 810007269 /nfs/dbraw/zinc/00/72/69/810007269.db2.gz ZAMDRMLJGBQCNA-HIFRSBDPSA-N 0 3 286.375 2.115 20 30 CEEDHN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@@H]21 ZINC001036652864 810007274 /nfs/dbraw/zinc/00/72/74/810007274.db2.gz ZAMDRMLJGBQCNA-HIFRSBDPSA-N 0 3 286.375 2.115 20 30 CEEDHN N#Cc1cccc(CN2C[C@@H]3CSC[C@@H]3C2)c1F ZINC000711552740 810081974 /nfs/dbraw/zinc/08/19/74/810081974.db2.gz CQJPTRNAFBCZOA-BETUJISGSA-N 0 3 262.353 2.492 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cscc1Cl ZINC000711541377 810082954 /nfs/dbraw/zinc/08/29/54/810082954.db2.gz JNZZKGQVPQAUBD-UHFFFAOYSA-N 0 3 270.785 2.086 20 30 CEEDHN C=CCn1c(C(F)F)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001121601221 815346744 /nfs/dbraw/zinc/34/67/44/815346744.db2.gz YBQFWUCQSPDWNE-QWRGUYRKSA-N 0 3 299.369 2.321 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001079954036 810240213 /nfs/dbraw/zinc/24/02/13/810240213.db2.gz QDGKLQNYUMTRIF-MGPQQGTHSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccccc2CC)C1 ZINC001079944635 810240988 /nfs/dbraw/zinc/24/09/88/810240988.db2.gz OOUIMLUPBNEOHM-RHSMWYFYSA-N 0 3 286.419 2.414 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2ccccc2)C1 ZINC001079973760 810241895 /nfs/dbraw/zinc/24/18/95/810241895.db2.gz MCAHSHMKDFOFGZ-GDBMZVCRSA-N 0 3 272.392 2.242 20 30 CEEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001080454404 810284500 /nfs/dbraw/zinc/28/45/00/810284500.db2.gz JNLSBRRTYJYOJI-NXEZZACHSA-N 0 3 299.321 2.238 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC001080572852 810293976 /nfs/dbraw/zinc/29/39/76/810293976.db2.gz SJHMIZIMKPVGAK-STLJJKNPSA-N 0 3 296.414 2.195 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001080577910 810294095 /nfs/dbraw/zinc/29/40/95/810294095.db2.gz RFCIUFKZGDXZQJ-BPLDGKMQSA-N 0 3 288.391 2.151 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2cc3ccccc3nn2)C1 ZINC001015463049 810294149 /nfs/dbraw/zinc/29/41/49/810294149.db2.gz UPDWTMUDERMCOG-CQSZACIVSA-N 0 3 296.374 2.010 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001080754211 810304181 /nfs/dbraw/zinc/30/41/81/810304181.db2.gz CWKMMGWKSRPGEF-IIAWOOMASA-N 0 3 276.424 2.273 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001015568018 810307334 /nfs/dbraw/zinc/30/73/34/810307334.db2.gz DGAKDNAHZQNASD-STQMWFEESA-N 0 3 250.386 2.189 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cncc3sccc32)C1 ZINC001015603425 810314016 /nfs/dbraw/zinc/31/40/16/810314016.db2.gz SNPZNVMOMJHTSE-LBPRGKRZSA-N 0 3 299.399 2.124 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001015610447 810315801 /nfs/dbraw/zinc/31/58/01/810315801.db2.gz XWLBREAVVGUNKY-OLZOCXBDSA-N 0 3 284.350 2.026 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC001015628980 810317697 /nfs/dbraw/zinc/31/76/97/810317697.db2.gz ORWZBUBDDJNIDG-ZDUSSCGKSA-N 0 3 294.345 2.274 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001015649015 810322946 /nfs/dbraw/zinc/32/29/46/810322946.db2.gz WZYUKBDUDBYXFF-MRXNPFEDSA-N 0 3 293.370 2.062 20 30 CEEDHN C=C1CCC(C(=O)N[C@@H]2CCN(CCCF)C2)CC1 ZINC001015660411 810326387 /nfs/dbraw/zinc/32/63/87/810326387.db2.gz ZTIWFINHZBMKGP-CQSZACIVSA-N 0 3 268.376 2.283 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1c1ccccc1 ZINC001081085534 810331005 /nfs/dbraw/zinc/33/10/05/810331005.db2.gz CXSLPXYBZYABSU-DLBZAZTESA-N 0 3 294.354 2.111 20 30 CEEDHN C#CC1CCN(Cc2ccnn2-c2ccncc2)CC1 ZINC001118640840 810332833 /nfs/dbraw/zinc/33/28/33/810332833.db2.gz TVHVOEXNZVHNEH-UHFFFAOYSA-N 0 3 266.348 2.113 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2ccncc2Cl)C1 ZINC001015746428 810338279 /nfs/dbraw/zinc/33/82/79/810338279.db2.gz FWEGGCIFZWSLOO-LLVKDONJSA-N 0 3 279.771 2.115 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2cccc(F)c2F)C1 ZINC001015763824 810350625 /nfs/dbraw/zinc/35/06/25/810350625.db2.gz KVFMCFFMGQXBPZ-CYBMUJFWSA-N 0 3 294.345 2.274 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001015807349 810357744 /nfs/dbraw/zinc/35/77/44/810357744.db2.gz WIPWJFNPEWNENF-ZACQAIPSSA-N 0 3 282.387 2.004 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cccn2C2CCCC2)C1 ZINC001015911427 810371222 /nfs/dbraw/zinc/37/12/22/810371222.db2.gz OQPUXFGUFOIAPZ-OAHLLOKOSA-N 0 3 299.418 2.431 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3c(c2)CCN3C)C1 ZINC001015954161 810378817 /nfs/dbraw/zinc/37/88/17/810378817.db2.gz NMNZADBRAIOOIH-MRXNPFEDSA-N 0 3 299.418 2.059 20 30 CEEDHN C#CC[C@@H](CCOC)NCc1cc(OC)ccc1F ZINC001118883891 810382336 /nfs/dbraw/zinc/38/23/36/810382336.db2.gz MRLCFJRLCMCLOF-ZDUSSCGKSA-N 0 3 265.328 2.352 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001016012926 810387812 /nfs/dbraw/zinc/38/78/12/810387812.db2.gz IWKKUJHQVDEYQQ-DOTOQJQBSA-N 0 3 284.403 2.312 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001016076446 810395756 /nfs/dbraw/zinc/39/57/56/810395756.db2.gz HNUJJHKNKHBBLJ-HNNXBMFYSA-N 0 3 258.365 2.375 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001016101055 810399777 /nfs/dbraw/zinc/39/97/77/810399777.db2.gz MTSPIVRYBAMFJR-INIZCTEOSA-N 0 3 270.376 2.131 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC001016134720 810401452 /nfs/dbraw/zinc/40/14/52/810401452.db2.gz ASLBKBWLROBRSN-AWEZNQCLSA-N 0 3 290.432 2.121 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001016231835 810414811 /nfs/dbraw/zinc/41/48/11/810414811.db2.gz DCBBXXBQQSRGGT-SFHVURJKSA-N 0 3 298.430 2.484 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001016320234 810423507 /nfs/dbraw/zinc/42/35/07/810423507.db2.gz LMAKCDHKMRYRJU-CVEARBPZSA-N 0 3 284.403 2.312 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001016367219 810429595 /nfs/dbraw/zinc/42/95/95/810429595.db2.gz BDOIZJZRAPMECI-HUUCEWRRSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cccc(C)c2)CC1 ZINC001016489674 810445456 /nfs/dbraw/zinc/44/54/56/810445456.db2.gz NNLYIKXKWSHDQF-INIZCTEOSA-N 0 3 282.387 2.213 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2c[nH]cc2C2CC2)CC1 ZINC001016910729 810476518 /nfs/dbraw/zinc/47/65/18/810476518.db2.gz ZYNROHZJQKJBEV-INIZCTEOSA-N 0 3 297.402 2.110 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C2(C)CC(F)(F)C2)CC1 ZINC001016920838 810477358 /nfs/dbraw/zinc/47/73/58/810477358.db2.gz JXCRIMJYHRVBSZ-GFCCVEGCSA-N 0 3 296.361 2.026 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccn(C2CCCC2)n1 ZINC001121971089 815372855 /nfs/dbraw/zinc/37/28/55/815372855.db2.gz KNDQWZZIHZQFQG-OAHLLOKOSA-N 0 3 290.411 2.298 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C3CCC=CCC3)[C@@H]2C1 ZINC001084837783 810527870 /nfs/dbraw/zinc/52/78/70/810527870.db2.gz FNFGLUHTUVKXEU-IAGOWNOFSA-N 0 3 286.419 2.289 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)CC)C[C@@H]21 ZINC001084892122 810538899 /nfs/dbraw/zinc/53/88/99/810538899.db2.gz MGSDXGXUAVYSJT-MJBXVCDLSA-N 0 3 250.386 2.141 20 30 CEEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)COC ZINC001230545134 810542849 /nfs/dbraw/zinc/54/28/49/810542849.db2.gz YVSGJLFIOXSTDM-CQSZACIVSA-N 0 3 270.417 2.136 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCOC1 ZINC001018111755 810588171 /nfs/dbraw/zinc/58/81/71/810588171.db2.gz MRDADHPALHSWMA-UXLLHSPISA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H](c2nc(C)cs2)C1 ZINC001122119644 815385480 /nfs/dbraw/zinc/38/54/80/815385480.db2.gz ONFNJJSMTFNUHZ-OLZOCXBDSA-N 0 3 293.436 2.451 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1ccn(CCF)n1 ZINC001172300203 815388905 /nfs/dbraw/zinc/38/89/05/815388905.db2.gz SXVCFDKMOOBMRB-CYBMUJFWSA-N 0 3 286.354 2.445 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1NCCF ZINC001085225506 810698426 /nfs/dbraw/zinc/69/84/26/810698426.db2.gz ZHCBNGBOUILWNU-ZIAGYGMSSA-N 0 3 293.386 2.274 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@H](c2ccccc2)C(C)C)C1 ZINC001019437978 810710405 /nfs/dbraw/zinc/71/04/05/810710405.db2.gz BYLMECULKOSQMX-IRXDYDNUSA-N 0 3 284.403 2.250 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)CC(C)(C)c2ccc(C)cc2)C1 ZINC001019751394 810736050 /nfs/dbraw/zinc/73/60/50/810736050.db2.gz GBUGKBONCZCRSU-KRWDZBQOSA-N 0 3 298.430 2.486 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)CCc2ccc(CC)cc2)C1 ZINC001019765179 810738333 /nfs/dbraw/zinc/73/83/33/810738333.db2.gz BGVHBQGXXSYBID-KRWDZBQOSA-N 0 3 284.403 2.005 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001019981872 810756299 /nfs/dbraw/zinc/75/62/99/810756299.db2.gz TWZILNDVOYTEQL-HAQNSBGRSA-N 0 3 282.771 2.499 20 30 CEEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)C=C2CCC2)C1 ZINC001020063141 810765807 /nfs/dbraw/zinc/76/58/07/810765807.db2.gz CVABXSGMEUVMLO-HAQNSBGRSA-N 0 3 299.212 2.242 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C=C2CCC2)C1 ZINC001020063103 810766409 /nfs/dbraw/zinc/76/64/09/810766409.db2.gz BPZKZMCPNVMNPC-HAQNSBGRSA-N 0 3 254.761 2.086 20 30 CEEDHN CC[C@@H](C)OCC[C@H](C)N1CCN(CCC#N)CC1 ZINC001172339852 815397079 /nfs/dbraw/zinc/39/70/79/815397079.db2.gz HJMMDWZTHHXAPL-LSDHHAIUSA-N 0 3 267.417 2.111 20 30 CEEDHN N#CCCc1ccc(NC(=O)[C@H](N)CC2CC2)cc1 ZINC001122255989 815397160 /nfs/dbraw/zinc/39/71/60/815397160.db2.gz YMNJRNUMYCVNHE-CQSZACIVSA-N 0 3 257.337 2.209 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnccc1C ZINC001085527550 810807288 /nfs/dbraw/zinc/80/72/88/810807288.db2.gz CNKGRPTZLQTIDC-AWEZNQCLSA-N 0 3 273.380 2.112 20 30 CEEDHN CC[C@@H](C)OCC[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001172348393 815398966 /nfs/dbraw/zinc/39/89/66/815398966.db2.gz HYSNRHNTNUKVAT-UPJWGTAASA-N 0 3 274.405 2.090 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cccn2nccc12 ZINC001038453841 810840445 /nfs/dbraw/zinc/84/04/45/810840445.db2.gz KAGQAYLIIHHHNK-CQSZACIVSA-N 0 3 298.390 2.105 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccn2ccnc2c1 ZINC001038510522 810852721 /nfs/dbraw/zinc/85/27/21/810852721.db2.gz NTMCFQRQECFKLT-HNNXBMFYSA-N 0 3 298.390 2.105 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ncc(C)cc1C ZINC001038545342 810860451 /nfs/dbraw/zinc/86/04/51/810860451.db2.gz FKDQCWGZMRWJSR-HNNXBMFYSA-N 0 3 287.407 2.469 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccn1CC=C ZINC001085640316 810862210 /nfs/dbraw/zinc/86/22/10/810862210.db2.gz IVKGFKOVLTXWNX-OAHLLOKOSA-N 0 3 287.407 2.397 20 30 CEEDHN CC(C)O[C@]1(CNCC#Cc2ccccc2)CCOC1 ZINC000722356513 810925249 /nfs/dbraw/zinc/92/52/49/810925249.db2.gz JUHPSQYZLJYLFZ-KRWDZBQOSA-N 0 3 273.376 2.212 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(Cl)[nH]1 ZINC001085805817 810926333 /nfs/dbraw/zinc/92/63/33/810926333.db2.gz RKHGHHIKUZDMDR-NSHDSACASA-N 0 3 281.787 2.391 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cccc2[nH]cnc21 ZINC001038836713 810926625 /nfs/dbraw/zinc/92/66/25/810926625.db2.gz GZMAUAGTAOWBOP-ZDUSSCGKSA-N 0 3 298.390 2.333 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCN2CCC(C)(C)C)cn1 ZINC001038930275 810948492 /nfs/dbraw/zinc/94/84/92/810948492.db2.gz BWNBHDYONZCJFG-INIZCTEOSA-N 0 3 299.418 2.303 20 30 CEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CCC ZINC001085864580 810948919 /nfs/dbraw/zinc/94/89/19/810948919.db2.gz DZALNJKTLXYZDI-JYJNAYRXSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1nc(C)oc1C ZINC001085891725 810959168 /nfs/dbraw/zinc/95/91/68/810959168.db2.gz GSBCWRJWQBGDCC-CQSZACIVSA-N 0 3 291.395 2.404 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1nc(C)oc1C ZINC001085891724 810960458 /nfs/dbraw/zinc/96/04/58/810960458.db2.gz GSBCWRJWQBGDCC-AWEZNQCLSA-N 0 3 291.395 2.404 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)[nH]1 ZINC001039358837 811018281 /nfs/dbraw/zinc/01/82/81/811018281.db2.gz ZCJUFLMZRNYUPR-CABCVRRESA-N 0 3 298.390 2.141 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)CC ZINC001039416875 811024842 /nfs/dbraw/zinc/02/48/42/811024842.db2.gz MGZKCTAMRVMXBM-RDBSUJKOSA-N 0 3 268.376 2.376 20 30 CEEDHN C[C@@H](N)c1nc2ccccc2n1-c1nc(Cl)cnc1C#N ZINC001155248648 811026358 /nfs/dbraw/zinc/02/63/58/811026358.db2.gz WTLDCEHJTCLXTO-MRVPVSSYSA-N 0 3 298.737 2.360 20 30 CEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3ccco3)C2)C1 ZINC001040043384 811080263 /nfs/dbraw/zinc/08/02/63/811080263.db2.gz JOGOFMQZLVUCBB-INIZCTEOSA-N 0 3 274.364 2.394 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccoc2)C1 ZINC001086308874 811098880 /nfs/dbraw/zinc/09/88/80/811098880.db2.gz UOHPIJGXXMJOQI-UMSPYCQHSA-N 0 3 268.744 2.130 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3CCC3(C)C)C2)C1 ZINC001040341800 811104048 /nfs/dbraw/zinc/10/40/48/811104048.db2.gz VIKATYYPGIEWCR-YJBOKZPZSA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccncc2F)C1 ZINC001086330218 811104309 /nfs/dbraw/zinc/10/43/09/811104309.db2.gz RLIALZVFRDUQBN-XYPYZODXSA-N 0 3 297.761 2.071 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3sccc3C)C2)C1 ZINC001040996062 811133471 /nfs/dbraw/zinc/13/34/71/811133471.db2.gz WYSJLGLPKLHHHY-MRXNPFEDSA-N 0 3 288.416 2.228 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)C1 ZINC001041464020 811166749 /nfs/dbraw/zinc/16/67/49/811166749.db2.gz NSNMBKRUEGKGIG-IIDMSEBBSA-N 0 3 288.435 2.226 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC001041623215 811180838 /nfs/dbraw/zinc/18/08/38/811180838.db2.gz ODIMDIQLEAKURV-KRWDZBQOSA-N 0 3 276.424 2.370 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CC34CCC4)C2)C1 ZINC001041717434 811188859 /nfs/dbraw/zinc/18/88/59/811188859.db2.gz QSWWMQCGGGSEQJ-DOTOQJQBSA-N 0 3 286.419 2.124 20 30 CEEDHN CC(=O)N1CC[C@H]2CCN(Cc3cccc(C#N)c3)[C@@H]2C1 ZINC001041859770 811198487 /nfs/dbraw/zinc/19/84/87/811198487.db2.gz RICMMNZBLFZPQY-DLBZAZTESA-N 0 3 283.375 2.001 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(C)n3C)C[C@@H]21 ZINC001041936148 811218290 /nfs/dbraw/zinc/21/82/90/811218290.db2.gz XZODYZXUAKZNEH-HOCLYGCPSA-N 0 3 287.407 2.056 20 30 CEEDHN CCN(CCC#N)C1CCC(C)(C(=O)OC)CC1 ZINC001168788621 811232630 /nfs/dbraw/zinc/23/26/30/811232630.db2.gz BQJCBDFEXJNDOD-UHFFFAOYSA-N 0 3 252.358 2.344 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)C3C=CC=CC=C3)C[C@H]21 ZINC001042075730 811242946 /nfs/dbraw/zinc/24/29/46/811242946.db2.gz FRGGBGLMWJKBIM-FUHWJXTLSA-N 0 3 296.414 2.231 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc(C)c(C)cn3)C[C@@H]21 ZINC001042162535 811248307 /nfs/dbraw/zinc/24/83/07/811248307.db2.gz JRBMXIUKVJADCT-RDJZCZTQSA-N 0 3 299.418 2.421 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cocc3C)C[C@H]21 ZINC001042180227 811251615 /nfs/dbraw/zinc/25/16/15/811251615.db2.gz SZCRRSXYSOCONV-DZGCQCFKSA-N 0 3 274.364 2.310 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)Cc3occc3C)C[C@H]21 ZINC001042227969 811259051 /nfs/dbraw/zinc/25/90/51/811259051.db2.gz OUSXGLGOBSLUTA-HUUCEWRRSA-N 0 3 288.391 2.239 20 30 CEEDHN C[C@H](N)c1ccn(-c2ncc(C#N)c3ccsc32)n1 ZINC001169231358 811445534 /nfs/dbraw/zinc/44/55/34/811445534.db2.gz HWUQBNPELULQTF-QMMMGPOBSA-N 0 3 269.333 2.373 20 30 CEEDHN C[C@@H](N)c1ccn(-c2ccc(OCCC#N)cc2)n1 ZINC001169233199 811447959 /nfs/dbraw/zinc/44/79/59/811447959.db2.gz NXYWAZRHVGHYLT-LLVKDONJSA-N 0 3 256.309 2.184 20 30 CEEDHN C[C@H](CCCC#N)N1CCN(Cc2cccnc2)CC1 ZINC001172491036 815451616 /nfs/dbraw/zinc/45/16/16/815451616.db2.gz CCKCFYHJWRNGCM-OAHLLOKOSA-N 0 3 272.396 2.282 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1occc1C)C2 ZINC001095980695 811499879 /nfs/dbraw/zinc/49/98/79/811499879.db2.gz IEMUAVJQVXIORK-ILXRZTDVSA-N 0 3 288.391 2.428 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)CC[C@@H]1CCCOC1 ZINC001169611237 811598601 /nfs/dbraw/zinc/59/86/01/811598601.db2.gz JDWKXEZBECZGSL-ZDUSSCGKSA-N 0 3 288.819 2.042 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cc(CC)on2)CC1 ZINC001045625067 811633205 /nfs/dbraw/zinc/63/32/05/811633205.db2.gz LFAPEDZTGHHNJF-UHFFFAOYSA-N 0 3 277.368 2.007 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1C[C@]1(C)CC ZINC001169752386 811647899 /nfs/dbraw/zinc/64/78/99/811647899.db2.gz AUCWQCRECYOLPM-YPMHNXCESA-N 0 3 258.793 2.271 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC13CC3)C2 ZINC001045968629 811669623 /nfs/dbraw/zinc/66/96/23/811669623.db2.gz DUOIOTAREJTMPY-WBVHZDCISA-N 0 3 286.419 2.124 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001046368161 811744994 /nfs/dbraw/zinc/74/49/94/811744994.db2.gz VYNPHLWFOUQYPN-JSGCOSHPSA-N 0 3 284.350 2.026 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2CCc3cccnc32)C1 ZINC001046579788 811778827 /nfs/dbraw/zinc/77/88/27/811778827.db2.gz NWGYRKOGRRGZPI-MAUKXSAKSA-N 0 3 299.418 2.268 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001046606215 811784886 /nfs/dbraw/zinc/78/48/86/811784886.db2.gz BJIYRVDIWKVMBA-FMKPAKJESA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2cc(C)ccc2F)C1 ZINC001046652067 811792686 /nfs/dbraw/zinc/79/26/86/811792686.db2.gz HAGKZEMSZSPLDI-KRWDZBQOSA-N 0 3 288.366 2.352 20 30 CEEDHN COC(=O)[C@@H]1CCC[C@@H](NCC2(C#N)CCC2)C1 ZINC001172586079 815476687 /nfs/dbraw/zinc/47/66/87/815476687.db2.gz KAFZVAQQMCFZBB-VXGBXAGGSA-N 0 3 250.342 2.002 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001046761255 811812490 /nfs/dbraw/zinc/81/24/90/811812490.db2.gz SZSAFNDOYGGCFL-KRWDZBQOSA-N 0 3 287.407 2.274 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C\C(C)(C)C)C2 ZINC001109085796 811822205 /nfs/dbraw/zinc/82/22/05/811822205.db2.gz JZEGFSXSIXHJCW-MRTIVMAWSA-N 0 3 274.408 2.334 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cc(F)cc(F)c2)C1 ZINC001046822225 811824207 /nfs/dbraw/zinc/82/42/07/811824207.db2.gz MKEZIDCSMSRDJD-MRXNPFEDSA-N 0 3 292.329 2.182 20 30 CEEDHN C#CCCOc1ccc(CN2CC[C@@H](OC)C2)cc1 ZINC000769445116 811894709 /nfs/dbraw/zinc/89/47/09/811894709.db2.gz FAROSMFZQFVXPD-MRXNPFEDSA-N 0 3 259.349 2.309 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)CCCOC1)C2 ZINC001096252493 811909601 /nfs/dbraw/zinc/90/96/01/811909601.db2.gz SCCYIYSKHKMEGE-AESZEHBQSA-N 0 3 292.423 2.101 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](CC)OC ZINC001109604330 811914857 /nfs/dbraw/zinc/91/48/57/811914857.db2.gz DLFPLAYAARUTMU-KBXIAJHMSA-N 0 3 294.439 2.345 20 30 CEEDHN COC(=O)N1CCC(N2CCc3ccc(C#N)cc3C2)CC1 ZINC001172737894 815498450 /nfs/dbraw/zinc/49/84/50/815498450.db2.gz QPMUDSZRQWDATL-UHFFFAOYSA-N 0 3 299.374 2.147 20 30 CEEDHN C=C1CC(C)(C(=O)N2C[C@H]3CN(C[C@@H](F)CC)C[C@H]3C2)C1 ZINC001049042625 812063209 /nfs/dbraw/zinc/06/32/09/812063209.db2.gz DQSAMIAAYATAIK-ZNMIVQPWSA-N 0 3 294.414 2.481 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cccc(C)c3C)C[C@@H]2C1 ZINC001049196790 812084844 /nfs/dbraw/zinc/08/48/44/812084844.db2.gz AIOOCPDELWIRMK-CALCHBBNSA-N 0 3 296.414 2.331 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C3(CC)CCCCC3)C[C@@H]2C1 ZINC001049230141 812088753 /nfs/dbraw/zinc/08/87/53/812088753.db2.gz SFCLQAVZISYPGV-IYBDPMFKSA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccn1 ZINC001049286999 812109055 /nfs/dbraw/zinc/10/90/55/812109055.db2.gz UXFDGKROESTPFS-CVEARBPZSA-N 0 3 285.391 2.337 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC=CCC1 ZINC001049328739 812118995 /nfs/dbraw/zinc/11/89/95/812118995.db2.gz YCFPSWLNUFVQKP-YESZJQIVSA-N 0 3 286.419 2.431 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)CC ZINC001049343429 812126542 /nfs/dbraw/zinc/12/65/42/812126542.db2.gz KDAVYTBXMZPQMS-MELADBBJSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC1(C)C ZINC001049414777 812141978 /nfs/dbraw/zinc/14/19/78/812141978.db2.gz GQBDCTDJKHNAEY-RDBSUJKOSA-N 0 3 262.397 2.284 20 30 CEEDHN C=CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccns1 ZINC001049506264 812158427 /nfs/dbraw/zinc/15/84/27/812158427.db2.gz VZGIGDMQBHGTQN-CHWSQXEVSA-N 0 3 291.420 2.398 20 30 CEEDHN C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(F)CCCC1 ZINC001049560504 812168470 /nfs/dbraw/zinc/16/84/70/812168470.db2.gz DKKISGQHRGEOEA-LSDHHAIUSA-N 0 3 292.398 2.357 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1cncc(C)c1 ZINC001049617119 812173505 /nfs/dbraw/zinc/17/35/05/812173505.db2.gz HPTOTQANEZGTHX-DLBZAZTESA-N 0 3 299.418 2.184 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C=C ZINC001049635842 812176306 /nfs/dbraw/zinc/17/63/06/812176306.db2.gz MJZZYQOWEOBGGL-UONOGXRCSA-N 0 3 262.397 2.450 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(CF)CCC1 ZINC001049740385 812202071 /nfs/dbraw/zinc/20/20/71/812202071.db2.gz KWWOTJUOGSTCDY-UONOGXRCSA-N 0 3 280.387 2.378 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC12CCC2 ZINC001049756831 812205655 /nfs/dbraw/zinc/20/56/55/812205655.db2.gz XVECDLPEIDFKKG-HRCADAONSA-N 0 3 286.419 2.265 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC12CCC2 ZINC001049756827 812206020 /nfs/dbraw/zinc/20/60/20/812206020.db2.gz XVECDLPEIDFKKG-ARFHVFGLSA-N 0 3 286.419 2.265 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C(C)C ZINC001049771695 812206747 /nfs/dbraw/zinc/20/67/47/812206747.db2.gz ZQBMPEMWKQSBQH-BZUAXINKSA-N 0 3 276.424 2.367 20 30 CEEDHN CCOC(=O)C1(C#N)CCN([C@@H]2CC[C@@H](C)C2)CC1 ZINC001170150264 812267362 /nfs/dbraw/zinc/26/73/62/812267362.db2.gz NMVUREOOIIMYER-CHWSQXEVSA-N 0 3 264.369 2.344 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CC12CCCC2 ZINC001170234358 812349872 /nfs/dbraw/zinc/34/98/72/812349872.db2.gz UMJBPRWEXGKYOP-GFCCVEGCSA-N 0 3 270.804 2.415 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC1(F)F)C2 ZINC001097304384 812353818 /nfs/dbraw/zinc/35/38/18/812353818.db2.gz MSZCRKULZULRJL-LPWJVIDDSA-N 0 3 284.350 2.329 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1CCC)C2 ZINC001097685156 812402351 /nfs/dbraw/zinc/40/23/51/812402351.db2.gz NMEVFVXZMJMZLQ-XYPHTWIQSA-N 0 3 299.418 2.326 20 30 CEEDHN CO[C@@H]1[C@H](C)[C@H](NCc2cc(C#N)ccn2)C1(C)C ZINC001170399777 812405401 /nfs/dbraw/zinc/40/54/01/812405401.db2.gz MXZHBRHLCWVPLA-DDTOSNHZSA-N 0 3 259.353 2.102 20 30 CEEDHN C=CC(=NCOC)N[C@@H]1CCc2ccc(OC)cc2C1 ZINC001170409288 812408339 /nfs/dbraw/zinc/40/83/39/812408339.db2.gz KGTRMRGRUFQTTN-CQSZACIVSA-N 0 3 274.364 2.331 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2occc2Cl)CC1 ZINC001052680887 812445739 /nfs/dbraw/zinc/44/57/39/812445739.db2.gz XERSIERNHMCQRU-NSHDSACASA-N 0 3 280.755 2.151 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)C2CCC(F)CC2)CC1 ZINC001052684505 812446629 /nfs/dbraw/zinc/44/66/29/812446629.db2.gz ZCAYENUFJCBIAQ-YMAMQOFZSA-N 0 3 280.387 2.119 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2c(F)cccc2F)CC1 ZINC001052893285 812474126 /nfs/dbraw/zinc/47/41/26/812474126.db2.gz VVXFYJLLLTWLGB-LBPRGKRZSA-N 0 3 292.329 2.182 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)C(F)F)C1 ZINC001053059050 812487118 /nfs/dbraw/zinc/48/71/18/812487118.db2.gz RAYIWEXUPHHPOK-ZIAGYGMSSA-N 0 3 298.377 2.368 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001053071406 812490098 /nfs/dbraw/zinc/49/00/98/812490098.db2.gz LZDKIPRWTCIBIX-HOTGVXAUSA-N 0 3 276.424 2.369 20 30 CEEDHN N#Cc1ccccc1CN[C@@H]1CC[C@H](CNC(=O)C2CC2)C1 ZINC001086627626 812522544 /nfs/dbraw/zinc/52/25/44/812522544.db2.gz RTLVSELJOWTXCP-SUMWQHHRSA-N 0 3 297.402 2.343 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)CC(C)(C)C)C2 ZINC001054081055 812531695 /nfs/dbraw/zinc/53/16/95/812531695.db2.gz IVSAFPHSZGXLBN-KRWDZBQOSA-N 0 3 276.424 2.370 20 30 CEEDHN CC#CCNCCNC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC001130390253 812565660 /nfs/dbraw/zinc/56/56/60/812565660.db2.gz IDFACZFJVNMUMY-UHFFFAOYSA-N 0 3 283.375 2.127 20 30 CEEDHN CC(C)c1nc(CCN(C)[C@H]2CC[C@H](C#N)C2)no1 ZINC001254661264 812565749 /nfs/dbraw/zinc/56/57/49/812565749.db2.gz RDTLBRRJLGCBHR-RYUDHWBXSA-N 0 3 262.357 2.360 20 30 CEEDHN N#Cc1cccc(CNCCNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC001130539223 812580812 /nfs/dbraw/zinc/58/08/12/812580812.db2.gz JLBNFTPFVHKFCV-BRWVUGGUSA-N 0 3 297.402 2.200 20 30 CEEDHN CCCCC(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001123666662 815544464 /nfs/dbraw/zinc/54/44/64/815544464.db2.gz PKHDKZDNCJJCCH-UHFFFAOYSA-N 0 3 277.343 2.093 20 30 CEEDHN Cc1cc(N2CCN(C)CC23CCCC3)ncc1C#N ZINC001158408199 812690318 /nfs/dbraw/zinc/69/03/18/812690318.db2.gz BZANCAKYEDCNTA-UHFFFAOYSA-N 0 3 270.380 2.326 20 30 CEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)CCCF)C[C@@H](C)O2 ZINC001131677350 812704907 /nfs/dbraw/zinc/70/49/07/812704907.db2.gz LUXFIPDLWCJDEW-GDBMZVCRSA-N 0 3 298.402 2.004 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)CCCCOC)CC[C@H]1C ZINC001131887679 812748107 /nfs/dbraw/zinc/74/81/07/812748107.db2.gz WMRUDHUTIRXOEB-HUUCEWRRSA-N 0 3 282.428 2.348 20 30 CEEDHN CC(C)N1CCN(c2cc(CC#N)ccn2)C[C@@H]1C ZINC001158495417 812752913 /nfs/dbraw/zinc/75/29/13/812752913.db2.gz PQYLNYSDSGULQW-ZDUSSCGKSA-N 0 3 258.369 2.067 20 30 CEEDHN C=CCCC(=O)N[C@@H]1CC[C@@H](C)N(CCOCC2CC2)C1 ZINC001131896823 812754127 /nfs/dbraw/zinc/75/41/27/812754127.db2.gz WBJOEYFSNRBIEP-GDBMZVCRSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)/C(C)=C/CC)CC[C@H]1C ZINC001131918216 812755703 /nfs/dbraw/zinc/75/57/03/812755703.db2.gz QMONGHBGAUYHJM-ISJXMTRFSA-N 0 3 262.397 2.335 20 30 CEEDHN C=CCOCCN1C[C@H](NC(=O)CCC2CC2)CC[C@@H]1C ZINC001131923554 812757796 /nfs/dbraw/zinc/75/77/96/812757796.db2.gz RXLBFKYNWOKMCZ-GOEBONIOSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCOCCN1C[C@H](NC(=O)/C=C/C2CC2)CC[C@H]1C ZINC001131943427 812760640 /nfs/dbraw/zinc/76/06/40/812760640.db2.gz PGTIJGPNUSDRFN-JNYVMKGUSA-N 0 3 292.423 2.124 20 30 CEEDHN C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)N(CCOCC)C1 ZINC001131975783 812763658 /nfs/dbraw/zinc/76/36/58/812763658.db2.gz DIWKXVLZMUHBST-HZPDHXFCSA-N 0 3 294.439 2.186 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)/C(C)=C/C)CC[C@@H]1C ZINC001131955215 812763891 /nfs/dbraw/zinc/76/38/91/812763891.db2.gz INUJSKHFNSOVJE-GNZFURHMSA-N 0 3 250.386 2.498 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C(F)=C(C)C)CC[C@@H]1C ZINC001131968608 812768073 /nfs/dbraw/zinc/76/80/73/812768073.db2.gz QRMNCOUTFDGHFC-QWHCGFSZSA-N 0 3 266.360 2.242 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)CCOCC2CC2)CC[C@H]1C ZINC001132033093 812777716 /nfs/dbraw/zinc/77/77/16/812777716.db2.gz AMKDHKHBMOCQGW-ZBFHGGJFSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CCC3(F)F)[C@@H]2C1 ZINC001050076446 812779278 /nfs/dbraw/zinc/77/92/78/812779278.db2.gz UZCYTPMXRZKBGX-RWMBFGLXSA-N 0 3 284.350 2.141 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)CC2(COC)CC2)CC[C@@H]1C ZINC001132028690 812779746 /nfs/dbraw/zinc/77/97/46/812779746.db2.gz AGAQORMTHOXBFX-GJZGRUSLSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)N(CCOC)C1 ZINC001132060340 812782743 /nfs/dbraw/zinc/78/27/43/812782743.db2.gz DHNJUHLLDDBBTC-UONOGXRCSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)CCc2cccnc2)CC[C@@H]1C ZINC001132160587 812793408 /nfs/dbraw/zinc/79/34/08/812793408.db2.gz OALJHHIOEXLBJR-HOCLYGCPSA-N 0 3 287.407 2.169 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)C2(COC)CCC2)CC[C@H]1C ZINC001132187233 812797341 /nfs/dbraw/zinc/79/73/41/812797341.db2.gz KJIQOZOTSHPAOL-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(CCOC)C1 ZINC001132331604 812830822 /nfs/dbraw/zinc/83/08/22/812830822.db2.gz OTEMONFOUUPMQM-KBPBESRZSA-N 0 3 282.428 2.204 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@]3(C)C=CCC3)C2)CC1 ZINC001050621239 812843885 /nfs/dbraw/zinc/84/38/85/812843885.db2.gz WNMNHBCDHNWOHG-QGZVFWFLSA-N 0 3 286.419 2.290 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CC[C@H](C)C3)C2)CC1 ZINC001050688982 812851923 /nfs/dbraw/zinc/85/19/23/812851923.db2.gz FDBLRGGPLIIMKM-HOTGVXAUSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@H]3C[C@]3(C)C(C)C)C2)CC1 ZINC001050715535 812853308 /nfs/dbraw/zinc/85/33/08/812853308.db2.gz QSRHMSVFKMLBGJ-NVXWUHKLSA-N 0 3 288.435 2.226 20 30 CEEDHN C=CCCOCC(=O)N[C@H]1CC[C@H](C)N(CC(=C)C)C1 ZINC001132528977 812877248 /nfs/dbraw/zinc/87/72/48/812877248.db2.gz HXRQHPVQBQLOBE-GJZGRUSLSA-N 0 3 280.412 2.124 20 30 CEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001132564857 812891809 /nfs/dbraw/zinc/89/18/09/812891809.db2.gz LJRFWKUJYRHBIG-ZIAGYGMSSA-N 0 3 285.391 2.222 20 30 CEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1ccc(C)nc1C ZINC001132569290 812894022 /nfs/dbraw/zinc/89/40/22/812894022.db2.gz NWWHKZALLJMSMI-TZMCWYRMSA-N 0 3 289.423 2.362 20 30 CEEDHN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1sc(C)nc1C ZINC001132569725 812894675 /nfs/dbraw/zinc/89/46/75/812894675.db2.gz XTPQYIVHUDYAMB-GHMZBOCLSA-N 0 3 295.452 2.424 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)NCCNCc1cnccc1C ZINC001132650283 812918345 /nfs/dbraw/zinc/91/83/45/812918345.db2.gz IREHQKKIRFKITB-CQSZACIVSA-N 0 3 275.396 2.198 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)c2ccoc2C)CC1 ZINC001052187918 812942901 /nfs/dbraw/zinc/94/29/01/812942901.db2.gz QDQAWNSKBOGQSE-AWEZNQCLSA-N 0 3 274.364 2.196 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)c2cnc(C)s2)CC1 ZINC001052247449 812955837 /nfs/dbraw/zinc/95/58/37/812955837.db2.gz XXZNUCZKJGNFRE-CYBMUJFWSA-N 0 3 291.420 2.059 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)c2cc3occc3[nH]2)CC1 ZINC001052424199 812991477 /nfs/dbraw/zinc/99/14/77/812991477.db2.gz BYSPXHQGSBDPJU-ZDUSSCGKSA-N 0 3 299.374 2.369 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC001052570439 813008271 /nfs/dbraw/zinc/00/82/71/813008271.db2.gz ATMYGFZEQLESCW-JYJNAYRXSA-N 0 3 274.408 2.027 20 30 CEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc[nH]c2)C1 ZINC001086702277 813009756 /nfs/dbraw/zinc/00/97/56/813009756.db2.gz RTGWBGNVIBYIPJ-WCQYABFASA-N 0 3 281.787 2.255 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc(C(C)C)on2)CC1 ZINC001052601897 813010325 /nfs/dbraw/zinc/01/03/25/813010325.db2.gz WZJZHYVMHQTKEV-CYBMUJFWSA-N 0 3 289.379 2.016 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2nc(Cl)cs2)CC1 ZINC001052657247 813021852 /nfs/dbraw/zinc/02/18/52/813021852.db2.gz STFQITSDMLKDQK-SNVBAGLBSA-N 0 3 297.811 2.014 20 30 CEEDHN C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)CC ZINC001133419235 813054774 /nfs/dbraw/zinc/05/47/74/813054774.db2.gz OHZPGPMSRNLAAV-NXEZZACHSA-N 0 3 277.206 2.178 20 30 CEEDHN CNC(=O)C(C#N)C(=O)CSCc1cccc(Cl)c1 ZINC000133266999 813079228 /nfs/dbraw/zinc/07/92/28/813079228.db2.gz XITDUQMBJHRVPO-LLVKDONJSA-N 0 3 296.779 2.028 20 30 CEEDHN CCCOC1CCC([NH2+][C@H](C(=O)N[O-])[C@@H](C)CC)CC1 ZINC001173095146 815575983 /nfs/dbraw/zinc/57/59/83/815575983.db2.gz AAKZJIHDBODPPG-ABXWRUBCSA-N 0 3 286.416 2.234 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC001133777140 813153009 /nfs/dbraw/zinc/15/30/09/813153009.db2.gz XPXFIGSILDVJKE-KRWDZBQOSA-N 0 3 286.419 2.230 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CN(CC(=C)C)CCCO1 ZINC001150141273 815598189 /nfs/dbraw/zinc/59/81/89/815598189.db2.gz ZCKFROBWNZDHGN-HZPDHXFCSA-N 0 3 294.439 2.372 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)C(C)(F)F)CC[C@H]1C ZINC001071299719 813353589 /nfs/dbraw/zinc/35/35/89/813353589.db2.gz NFIXTXWQTPICDR-MNOVXSKESA-N 0 3 260.328 2.187 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccccn2)CC[C@@H]1C ZINC001071310853 813360159 /nfs/dbraw/zinc/36/01/59/813360159.db2.gz VNJWAMANMQZKKF-KBPBESRZSA-N 0 3 273.380 2.240 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(F)nc2)CC[C@@H]1C ZINC001071386364 813385465 /nfs/dbraw/zinc/38/54/65/813385465.db2.gz PDTUSAQLFMTGGK-JSGCOSHPSA-N 0 3 291.370 2.380 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1nccn1C ZINC001135231283 813392807 /nfs/dbraw/zinc/39/28/07/813392807.db2.gz YUEQBKJGSHLOAA-STQMWFEESA-N 0 3 292.427 2.005 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[C@@H]1C ZINC001071415160 813398418 /nfs/dbraw/zinc/39/84/18/813398418.db2.gz ZPZLTXBKBLIMLI-JSGCOSHPSA-N 0 3 286.379 2.045 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cnc(C)o2)CC[C@@H]1C ZINC001071566495 813439117 /nfs/dbraw/zinc/43/91/17/813439117.db2.gz UATPZCPPRUYJFG-GXTWGEPZSA-N 0 3 291.395 2.071 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2[nH]c(C)cc2C)CC[C@H]1C ZINC001071616403 813450095 /nfs/dbraw/zinc/45/00/95/813450095.db2.gz SSRUFTGWJFQGMT-CABCVRRESA-N 0 3 287.407 2.238 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H](C)CCCCCC ZINC001135567505 813466593 /nfs/dbraw/zinc/46/65/93/813466593.db2.gz WJRRGHSMAOBQGH-AWEZNQCLSA-N 0 3 252.402 2.322 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccn(C)c2C)CC[C@@H]1C ZINC001071811967 813488506 /nfs/dbraw/zinc/48/85/06/813488506.db2.gz QWEFYBAEARSUEU-ZFWWWQNUSA-N 0 3 289.423 2.492 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)C2(C)CCOCC2)CC[C@H]1C ZINC001071895939 813508610 /nfs/dbraw/zinc/50/86/10/813508610.db2.gz CLZQMJFYKFPRFV-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)Cc2csc(C)n2)CC[C@H]1C ZINC001072054194 813538133 /nfs/dbraw/zinc/53/81/33/813538133.db2.gz ZDIJHAAMBMOJBM-YPMHNXCESA-N 0 3 293.436 2.149 20 30 CEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001086813128 813584285 /nfs/dbraw/zinc/58/42/85/813584285.db2.gz VBRXVWXGUCWZOC-XQQFMLRXSA-N 0 3 282.815 2.414 20 30 CEEDHN CC[C@]1(C)C[C@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001136089687 813613622 /nfs/dbraw/zinc/61/36/22/813613622.db2.gz MADBWUILSVTKKE-DZGCQCFKSA-N 0 3 291.420 2.262 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3CC34CCCC4)C2)C1 ZINC001073101482 813725452 /nfs/dbraw/zinc/72/54/52/813725452.db2.gz NWZXHMVYAYCRKT-AWEZNQCLSA-N 0 3 274.408 2.287 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)c3cc(C)cc(C)c3)C2)C1 ZINC001073148946 813731254 /nfs/dbraw/zinc/73/12/54/813731254.db2.gz PPVHSDCYYOAAGV-UHFFFAOYSA-N 0 3 296.414 2.475 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001073533228 813760087 /nfs/dbraw/zinc/76/00/87/813760087.db2.gz ASPCOOZWCHLBKJ-HOTGVXAUSA-N 0 3 292.423 2.126 20 30 CEEDHN C[C@H](C#N)C(=O)N1CC[C@H](NCc2ccccc2F)[C@@H]1C ZINC001074568812 813833899 /nfs/dbraw/zinc/83/38/99/813833899.db2.gz YFTMOFMDRKZROE-XUJVJEKNSA-N 0 3 289.354 2.064 20 30 CEEDHN CC(=O)N[C@]12CCC[C@H]1CN(Cc1ccc(C#N)cc1)C2 ZINC001098665795 813934185 /nfs/dbraw/zinc/93/41/85/813934185.db2.gz ISNHGBMBINXLKB-IRXDYDNUSA-N 0 3 283.375 2.049 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ncccc2C)C1 ZINC001090967383 813948938 /nfs/dbraw/zinc/94/89/38/813948938.db2.gz WQORGAJYCQPOLU-UHFFFAOYSA-N 0 3 293.798 2.241 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC2(C)C)C1 ZINC001098796487 813951220 /nfs/dbraw/zinc/95/12/20/813951220.db2.gz UBHDFVHHIVGAGG-XEZPLFJOSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2[nH]c(C)cc2C)C1 ZINC001098903486 813962335 /nfs/dbraw/zinc/96/23/35/813962335.db2.gz QQOPEQXLHSRTTJ-YOEHRIQHSA-N 0 3 287.407 2.402 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(C)sn2)C1 ZINC001091003857 813986198 /nfs/dbraw/zinc/98/61/98/813986198.db2.gz MQYKYWRPVZUYKT-UHFFFAOYSA-N 0 3 299.827 2.302 20 30 CEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](F)CC ZINC001099183422 813994076 /nfs/dbraw/zinc/99/40/76/813994076.db2.gz UCOAKASGPQGEBI-ZIAGYGMSSA-N 0 3 282.403 2.365 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]1(C)CCOC1 ZINC001099281858 813996468 /nfs/dbraw/zinc/99/64/68/813996468.db2.gz ZZZLEIUAGHJNKJ-PBHICJAKSA-N 0 3 294.439 2.206 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](F)C(C)C)C[C@H]1C(F)(F)F ZINC001099294197 813999199 /nfs/dbraw/zinc/99/91/99/813999199.db2.gz FDHIPAJZRYUQGO-MXWKQRLJSA-N 0 3 296.308 2.145 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CCCC)CC2(CCOCC2)C1 ZINC001099565508 814013187 /nfs/dbraw/zinc/01/31/87/814013187.db2.gz FOCDXWBMGNAUNJ-OAHLLOKOSA-N 0 3 294.439 2.350 20 30 CEEDHN CCCCCCCCC(=O)N[C@H]1CCN(CC)C[C@H]1O ZINC001100084976 814061927 /nfs/dbraw/zinc/06/19/27/814061927.db2.gz DQHILDGOISBTLH-LSDHHAIUSA-N 0 3 284.444 2.308 20 30 CEEDHN C=CCCC(=O)NCC1CC(NCc2cc(C)ns2)C1 ZINC001100177097 814070404 /nfs/dbraw/zinc/07/04/04/814070404.db2.gz ULCQFGFNPSGVJM-UHFFFAOYSA-N 0 3 293.436 2.402 20 30 CEEDHN C=CC(C)(C)C(=O)NCC1CC(NCc2ccccn2)C1 ZINC001100564728 814145501 /nfs/dbraw/zinc/14/55/01/814145501.db2.gz UPGUTXMOLNUMMT-UHFFFAOYSA-N 0 3 287.407 2.278 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC2(CC(=O)CO2)CC1 ZINC001171209950 814161341 /nfs/dbraw/zinc/16/13/41/814161341.db2.gz NLEWZTYFJMCIFC-CQSZACIVSA-N 0 3 298.386 2.313 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCN(C)[C@H](C)C1 ZINC001171224022 814189316 /nfs/dbraw/zinc/18/93/16/814189316.db2.gz OSDUKZDYEWLTHF-UONOGXRCSA-N 0 3 257.381 2.125 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)N1CC[C@@]12CCOC2 ZINC001171232582 814203389 /nfs/dbraw/zinc/20/33/89/814203389.db2.gz UGQBPHVTMRPKSF-BBRMVZONSA-N 0 3 256.349 2.354 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C(C)(C)CC(F)F)C[C@]2(C)C1 ZINC001101265724 814239491 /nfs/dbraw/zinc/23/94/91/814239491.db2.gz PBNZSMGNTOEPMZ-WBMJQRKESA-N 0 3 298.377 2.081 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)CCC(C)(F)F)C[C@]2(C)C1 ZINC001101283013 814242409 /nfs/dbraw/zinc/24/24/09/814242409.db2.gz OPHPOYPYVYFEFT-HIFRSBDPSA-N 0 3 298.377 2.225 20 30 CEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(CCF)C[C@H]1C ZINC001102326691 814380548 /nfs/dbraw/zinc/38/05/48/814380548.db2.gz YNACIRPKJQLUDO-UMVBOHGHSA-N 0 3 270.392 2.242 20 30 CEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C#CC(C)C)C1 ZINC001102958885 814445098 /nfs/dbraw/zinc/44/50/98/814445098.db2.gz RSPTWPZICIQEBY-UKRRQHHQSA-N 0 3 296.842 2.473 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)CC)C1 ZINC001111728698 814601674 /nfs/dbraw/zinc/60/16/74/814601674.db2.gz LGAGXSOUEGJGEO-ZOBUZTSGSA-N 0 3 276.424 2.417 20 30 CEEDHN C=C(C)CCC(=O)N[C@]12CCC[C@H]1CN(CC#CC)C2 ZINC001111766068 814607112 /nfs/dbraw/zinc/60/71/12/814607112.db2.gz SIVLOQZMVYZHHF-RDJZCZTQSA-N 0 3 274.408 2.337 20 30 CEEDHN CCCCCCCCC(=O)NCCNCC#CCOC ZINC001148727592 814607453 /nfs/dbraw/zinc/60/74/53/814607453.db2.gz CZCZTSNUBYYMSU-UHFFFAOYSA-N 0 3 282.428 2.093 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](F)C(C)C)C1 ZINC001111837280 814618141 /nfs/dbraw/zinc/61/81/41/814618141.db2.gz LAWXTCWFBGMMHR-YDHLFZDLSA-N 0 3 268.376 2.137 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C/C=C(\C)C=C)C1 ZINC001111838886 814619164 /nfs/dbraw/zinc/61/91/64/814619164.db2.gz KSIOKAPZXMTQBQ-IBVYMYGYSA-N 0 3 272.392 2.113 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC(C)(F)F)C1 ZINC001111866511 814622572 /nfs/dbraw/zinc/62/25/72/814622572.db2.gz ZBAOGJAUNXVMAH-WFASDCNBSA-N 0 3 284.350 2.026 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C(C)(F)F)C1 ZINC001111877289 814624941 /nfs/dbraw/zinc/62/49/41/814624941.db2.gz YXBSWFDCWYPRHM-WWGRRREGSA-N 0 3 298.377 2.272 20 30 CEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)C(C)C)C2)CC1 ZINC001086904248 814647417 /nfs/dbraw/zinc/64/74/17/814647417.db2.gz AFTVAZXHMLMFMF-HNNXBMFYSA-N 0 3 276.424 2.369 20 30 CEEDHN C=C(Cl)CNC1(CNC(=O)c2ncc[nH]2)CCCCC1 ZINC001115524664 814720175 /nfs/dbraw/zinc/72/01/75/814720175.db2.gz ZMKJKAYOOHAXLT-UHFFFAOYSA-N 0 3 296.802 2.185 20 30 CEEDHN CN1CCN(C(=O)C2(C#N)CCCC2)CCC1(C)C ZINC000712621841 814758067 /nfs/dbraw/zinc/75/80/67/814758067.db2.gz MCFONXPKLFJBIR-UHFFFAOYSA-N 0 3 263.385 2.013 20 30 CEEDHN C#CCOCCN(C)CCOc1ccccc1OCC ZINC001116401004 814851023 /nfs/dbraw/zinc/85/10/23/814851023.db2.gz AVUAEAAIRNROEZ-UHFFFAOYSA-N 0 3 277.364 2.046 20 30 CEEDHN CC/C=C(\C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001124344253 815611127 /nfs/dbraw/zinc/61/11/27/815611127.db2.gz JTCPEXLGHZYMQH-NYYWCZLTSA-N 0 3 277.393 2.182 20 30 CEEDHN C=CCCC(=O)NCCNCc1ccc(OC)c(F)c1 ZINC001124632127 815622286 /nfs/dbraw/zinc/62/22/86/815622286.db2.gz XXAJCSCVFKPHLN-UHFFFAOYSA-N 0 3 280.343 2.006 20 30 CEEDHN COC(=O)[C@H]1CCCN1C1CCC(CC#N)CC1 ZINC001173330924 815679226 /nfs/dbraw/zinc/67/92/26/815679226.db2.gz HTGCOMGRGDDBDC-WXRRBKDZSA-N 0 3 250.342 2.096 20 30 CEEDHN N#CCC1CCC(N2CC(N3CC[C@H](F)C3)C2)CC1 ZINC001173337731 815682202 /nfs/dbraw/zinc/68/22/02/815682202.db2.gz SFUFLORZIKVFBR-MOKVOYLWSA-N 0 3 265.376 2.187 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cscn1)C2 ZINC001095234258 815771659 /nfs/dbraw/zinc/77/16/59/815771659.db2.gz NKHZPOKNQMAKCO-MDZLAQPJSA-N 0 3 277.393 2.054 20 30 CEEDHN C=CCc1cccc(C[NH+]2CCC(C)(O)CC2)c1[O-] ZINC001138625592 815845588 /nfs/dbraw/zinc/84/55/88/815845588.db2.gz PRBGCYCLHKXYMV-UHFFFAOYSA-N 0 3 261.365 2.468 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@@](C)(CO)C2)c1[O-] ZINC001138625814 815846625 /nfs/dbraw/zinc/84/66/25/815846625.db2.gz UCKKKINAQCTKMX-MRXNPFEDSA-N 0 3 261.365 2.325 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@@](C)(CO)C2)c1[O-] ZINC001138625814 815846635 /nfs/dbraw/zinc/84/66/35/815846635.db2.gz UCKKKINAQCTKMX-MRXNPFEDSA-N 0 3 261.365 2.325 20 30 CEEDHN CN(C)Cc1ccccc1Nc1cn(C)nc1C#N ZINC001173930538 815862311 /nfs/dbraw/zinc/86/23/11/815862311.db2.gz VLGGROFUHQXSEE-UHFFFAOYSA-N 0 3 255.325 2.097 20 30 CEEDHN CN(Cc1ccc(=O)[nH]c1)Cc1cccc(C#N)c1 ZINC001139469376 816031893 /nfs/dbraw/zinc/03/18/93/816031893.db2.gz RUZKDORZVZAPMQ-UHFFFAOYSA-N 0 3 253.305 2.291 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)Cc1cccc(OC)c1 ZINC001175174261 816151523 /nfs/dbraw/zinc/15/15/23/816151523.db2.gz FPZRIFMKIZZNJY-UHFFFAOYSA-N 0 3 296.798 2.086 20 30 CEEDHN CN(C)C1(C)CN(Cc2cc(C#N)ccc2Cl)C1 ZINC001140602052 816298532 /nfs/dbraw/zinc/29/85/32/816298532.db2.gz BIKDGTYJSAYTMI-UHFFFAOYSA-N 0 3 263.772 2.348 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)CC[C@H]1CC[C@H](C)O1 ZINC001176669175 816452210 /nfs/dbraw/zinc/45/22/10/816452210.db2.gz XQMQNYKAQWIZHZ-QWHCGFSZSA-N 0 3 288.819 2.183 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1CCCC[C@@H]1OC ZINC001177255510 816538423 /nfs/dbraw/zinc/53/84/23/816538423.db2.gz NEAHCHKYHVEWLA-OLZOCXBDSA-N 0 3 288.819 2.040 20 30 CEEDHN CC#CCNCCNC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC001150696843 816555719 /nfs/dbraw/zinc/55/57/19/816555719.db2.gz BEOJGORQJKJYJQ-GFCCVEGCSA-N 0 3 290.432 2.216 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@@H]1COc2ccccc21 ZINC001177419205 816559086 /nfs/dbraw/zinc/55/90/86/816559086.db2.gz MRAZBIOXODEXMG-CYBMUJFWSA-N 0 3 294.782 2.011 20 30 CEEDHN CSc1nc(CN2CCN(C)C(C)(C)C2)ccc1C#N ZINC001141941737 816600964 /nfs/dbraw/zinc/60/09/64/816600964.db2.gz VSUQGPVHFBMIBQ-UHFFFAOYSA-N 0 3 290.436 2.201 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)c2ccccc2CC#N)CN1C1CC1 ZINC000601299463 346815579 /nfs/dbraw/zinc/81/55/79/346815579.db2.gz LGKYCFISCQOWMJ-GXTWGEPZSA-N 0 3 283.375 2.108 20 30 CEEDHN CC1(C)CN(Cc2ccc(CC#N)cc2)CC[C@H]1O ZINC000336214620 365528645 /nfs/dbraw/zinc/52/86/45/365528645.db2.gz IRPIBXRARXXOJT-OAHLLOKOSA-N 0 3 258.365 2.345 20 30 CEEDHN COCCOC[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000121565545 365585620 /nfs/dbraw/zinc/58/56/20/365585620.db2.gz XNRCMNOWEMOJJS-AWEZNQCLSA-N 0 3 292.354 2.182 20 30 CEEDHN COC(=O)[C@@]1(C)CN(Cc2cc(C#N)cs2)C[C@H]1C ZINC000337545067 214148597 /nfs/dbraw/zinc/14/85/97/214148597.db2.gz NLIFWHWCAWIIIS-YGRLFVJLSA-N 0 3 278.377 2.251 20 30 CEEDHN N#Cc1cccc(OCCCN2CCSCC2)c1 ZINC000034674349 361793022 /nfs/dbraw/zinc/79/30/22/361793022.db2.gz IKJIVBLBMIFFEA-UHFFFAOYSA-N 0 3 262.378 2.376 20 30 CEEDHN CC(=O)CCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124803996 187154896 /nfs/dbraw/zinc/15/48/96/187154896.db2.gz HEBLMYARZDYKGL-UHFFFAOYSA-N 0 3 285.391 2.045 20 30 CEEDHN C[C@H](CN(C)C)Nc1nc(C(F)(F)F)ccc1C#N ZINC000127798881 187333442 /nfs/dbraw/zinc/33/34/42/187333442.db2.gz DOJRQBRNMSBROC-MRVPVSSYSA-N 0 3 272.274 2.334 20 30 CEEDHN N#Cc1ccc(CNCCCCCCO)c(F)c1 ZINC000083382593 178383106 /nfs/dbraw/zinc/38/31/06/178383106.db2.gz FOUJUAHSNDPVGO-UHFFFAOYSA-N 0 3 250.317 2.340 20 30 CEEDHN CN(C)C[C@@H](NC(=O)CC#N)c1cccc(C(F)(F)F)c1 ZINC000601699681 346881871 /nfs/dbraw/zinc/88/18/71/346881871.db2.gz BIAVIKOHFVLMQZ-GFCCVEGCSA-N 0 3 299.296 2.338 20 30 CEEDHN C=CCOc1ccccc1CN1CCC[C@](CO)(OC)C1 ZINC000668496437 539184215 /nfs/dbraw/zinc/18/42/15/539184215.db2.gz NRMZHSOCUYVOJW-KRWDZBQOSA-N 0 3 291.391 2.225 20 30 CEEDHN C[C@H](C(=O)N(C)[C@@H]1CCC[C@@H]1C#N)N1CCCCCC1 ZINC000601810432 346904797 /nfs/dbraw/zinc/90/47/97/346904797.db2.gz UIUNPTSOPDJAHD-RBSFLKMASA-N 0 3 277.412 2.402 20 30 CEEDHN Cc1cccc(CN2CC[C@H](NC(=O)CCCC#N)C2)c1 ZINC000601851048 346916313 /nfs/dbraw/zinc/91/63/13/346916313.db2.gz RQIUWMGODQKKIY-INIZCTEOSA-N 0 3 285.391 2.379 20 30 CEEDHN COCC#CCN(C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000677819614 539270025 /nfs/dbraw/zinc/27/00/25/539270025.db2.gz FPDRKMNANOCBCW-HNNXBMFYSA-N 0 3 275.392 2.455 20 30 CEEDHN Cc1cccnc1NC(=O)[C@H]1CCCN(CCCC#N)C1 ZINC000080928793 344028671 /nfs/dbraw/zinc/02/86/71/344028671.db2.gz ZBQHDFKGCPRHSN-AWEZNQCLSA-N 0 3 286.379 2.344 20 30 CEEDHN CCC[C@H](C)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000030977059 343406346 /nfs/dbraw/zinc/40/63/46/343406346.db2.gz ZYQTWDGSCLZFSF-ZDUSSCGKSA-N 0 3 265.401 2.449 20 30 CEEDHN N#Cc1csc(CNC[C@@H]2CCCSC2)n1 ZINC000336673324 365753694 /nfs/dbraw/zinc/75/36/94/365753694.db2.gz JSIOKWPOSGTMFR-VIFPVBQESA-N 0 3 253.396 2.248 20 30 CEEDHN N#CC1(C[C@@H](O)CN2CC(C3CCCC3)C2)CCOCC1 ZINC000601960797 346943563 /nfs/dbraw/zinc/94/35/63/346943563.db2.gz ZFLHGYJZCILLTC-MRXNPFEDSA-N 0 3 292.423 2.180 20 30 CEEDHN C=CCOCCNCc1cc(CC=C)c(O)c(OC)c1 ZINC000679486528 539321104 /nfs/dbraw/zinc/32/11/04/539321104.db2.gz PVHXVXBXCZENHP-UHFFFAOYSA-N 0 3 277.364 2.422 20 30 CEEDHN N#CCCCN1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000051556741 343551635 /nfs/dbraw/zinc/55/16/35/343551635.db2.gz LFYVDUXSOVIPFU-AWEZNQCLSA-N 0 3 263.385 2.015 20 30 CEEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)[C@@H](O)C(F)F ZINC000295020768 199303794 /nfs/dbraw/zinc/30/37/94/199303794.db2.gz KNNIVTGDSCJDTD-WCQYABFASA-N 0 3 284.306 2.061 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](O)Cc2cccc(F)c2)s1 ZINC000295029004 199308329 /nfs/dbraw/zinc/30/83/29/199308329.db2.gz DAJWLPFUDNCNHP-ZDUSSCGKSA-N 0 3 290.363 2.452 20 30 CEEDHN CN(C)C[C@H]1CCCN1C(=O)Nc1cccc(C#N)c1 ZINC000057880510 343640000 /nfs/dbraw/zinc/64/00/00/343640000.db2.gz QVKOSGUORZYKKL-CQSZACIVSA-N 0 3 272.352 2.116 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000063108330 343674116 /nfs/dbraw/zinc/67/41/16/343674116.db2.gz LVIPYKZMFUTFHB-IRXDYDNUSA-N 0 3 282.387 2.004 20 30 CEEDHN CC1CCC(N2CCN(c3nccnc3C#N)CC2)CC1 ZINC000301252079 136426826 /nfs/dbraw/zinc/42/68/26/136426826.db2.gz CJQNFXQIZAOSRM-UHFFFAOYSA-N 0 3 285.395 2.049 20 30 CEEDHN N#CCc1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000066158536 343708854 /nfs/dbraw/zinc/70/88/54/343708854.db2.gz CYRFCJUVCZGRLS-MRXNPFEDSA-N 0 3 298.390 2.455 20 30 CEEDHN CC(C)CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065931352 343704356 /nfs/dbraw/zinc/70/43/56/343704356.db2.gz SRPZIHWLBRCQSV-UHFFFAOYSA-N 0 3 287.407 2.495 20 30 CEEDHN CN1C[C@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](c2ccccc2)C1 ZINC000329243434 529824374 /nfs/dbraw/zinc/82/43/74/529824374.db2.gz PBLHXCTTWFQJRU-RDBSUJKOSA-N 0 3 287.363 2.160 20 30 CEEDHN CC(C)CN(CC(=O)N[C@](C)(C#N)C(C)C)C(C)C ZINC000067963705 343749929 /nfs/dbraw/zinc/74/99/29/343749929.db2.gz BVCUZCCUKJDGHU-OAHLLOKOSA-N 0 3 267.417 2.407 20 30 CEEDHN C[C@@H]1C[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000068310618 343761279 /nfs/dbraw/zinc/76/12/79/343761279.db2.gz ZVEBBMTYRMHTDA-CJNGLKHVSA-N 0 3 285.391 2.104 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC2(C1)CCOCC2 ZINC000076178020 343884397 /nfs/dbraw/zinc/88/43/97/343884397.db2.gz UMSWISSOVZSMFX-HNNXBMFYSA-N 0 3 294.439 2.302 20 30 CEEDHN Cc1cccc(CN(CCN(C)C)c2cnc(C#N)cn2)c1 ZINC000127094079 187282418 /nfs/dbraw/zinc/28/24/18/187282418.db2.gz GFRLNKKOTKEBRM-UHFFFAOYSA-N 0 3 295.390 2.225 20 30 CEEDHN Cc1nnc(N2C[C@@H](N3CCCC3)C[C@H]2C)c(C#N)c1C ZINC000286400410 282326600 /nfs/dbraw/zinc/32/66/00/282326600.db2.gz PNVOUONUZQFORM-RISCZKNCSA-N 0 3 285.395 2.028 20 30 CEEDHN N#Cc1ccccc1CN1CCC(c2nc[nH]n2)CC1 ZINC000083443579 344077648 /nfs/dbraw/zinc/07/76/48/344077648.db2.gz URRSMEVUOVHNBD-UHFFFAOYSA-N 0 3 267.336 2.056 20 30 CEEDHN N#Cc1csc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 ZINC000092105939 344177551 /nfs/dbraw/zinc/17/75/51/344177551.db2.gz SGQBXJNYPSIEGG-OCCSQVGLSA-N 0 3 289.404 2.110 20 30 CEEDHN CCOC(=O)CCN(Cc1ccc(C#N)o1)CC1CC1 ZINC000092532671 344193915 /nfs/dbraw/zinc/19/39/15/344193915.db2.gz ANNWDQDQCBMOMO-UHFFFAOYSA-N 0 3 276.336 2.316 20 30 CEEDHN C[C@H](CCC#N)CN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000602440948 347033949 /nfs/dbraw/zinc/03/39/49/347033949.db2.gz KEHOIYHHJYBFCF-UKRRQHHQSA-N 0 3 289.379 2.300 20 30 CEEDHN CCC(CC)CN(CCC#N)C[C@@]1(OC)CCOC1 ZINC000602464708 347042894 /nfs/dbraw/zinc/04/28/94/347042894.db2.gz GARZBXKDUKMEKT-HNNXBMFYSA-N 0 3 268.401 2.444 20 30 CEEDHN C[C@H](O)C[C@H]1CCCCCN1Cc1ccnc(C#N)c1 ZINC000124180516 344313693 /nfs/dbraw/zinc/31/36/93/344313693.db2.gz WYNYMUSKMFDXEF-XJKSGUPXSA-N 0 3 273.380 2.469 20 30 CEEDHN N#Cc1cc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccn1 ZINC000124918797 344317592 /nfs/dbraw/zinc/31/75/92/344317592.db2.gz NPJWBGUVQQAKHC-BBWFWOEESA-N 0 3 285.391 2.469 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCCCC[C@H]1CO ZINC000133520532 344369190 /nfs/dbraw/zinc/36/91/90/344369190.db2.gz GSWOBLHFANUBJV-HNNXBMFYSA-N 0 3 274.364 2.304 20 30 CEEDHN CCN1CCC(N(C)c2cc(C#N)cc(C)n2)CC1 ZINC000161018126 344463183 /nfs/dbraw/zinc/46/31/83/344463183.db2.gz VWCIEYXCZBCDAL-UHFFFAOYSA-N 0 3 258.369 2.182 20 30 CEEDHN CCC(C)(C)CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000232877027 344580118 /nfs/dbraw/zinc/58/01/18/344580118.db2.gz JGNMCIOHYJMAHT-UHFFFAOYSA-N 0 3 294.420 2.358 20 30 CEEDHN C=CCNC(=O)CN(C1CC1)C1CCC(C)CC1 ZINC000052104037 362466443 /nfs/dbraw/zinc/46/64/43/362466443.db2.gz CNDJDPVWHAYJAJ-UHFFFAOYSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCOc1ccc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc1 ZINC000237484265 344601774 /nfs/dbraw/zinc/60/17/74/344601774.db2.gz OVWZUXSLZLIAFE-CHWSQXEVSA-N 0 3 274.364 2.074 20 30 CEEDHN CC[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000264873718 344657770 /nfs/dbraw/zinc/65/77/70/344657770.db2.gz PBODSTOVODHAAE-DZGCQCFKSA-N 0 3 273.380 2.488 20 30 CEEDHN CC(C)CC[C@H](N)C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000602521016 347065540 /nfs/dbraw/zinc/06/55/40/347065540.db2.gz MTEGUWWWGOHIOD-HNNXBMFYSA-N 0 3 271.364 2.164 20 30 CEEDHN COc1cccc(CCNCc2cccc(C#N)n2)c1 ZINC000602513262 347062674 /nfs/dbraw/zinc/06/26/74/347062674.db2.gz FJULGSBSXSIMRV-UHFFFAOYSA-N 0 3 267.332 2.294 20 30 CEEDHN C[C@@H](CNCc1cccc(C#N)n1)N1CCC[C@H](C)C1 ZINC000602514742 347063500 /nfs/dbraw/zinc/06/35/00/347063500.db2.gz LVCWTVAFNJGVHE-KBPBESRZSA-N 0 3 272.396 2.163 20 30 CEEDHN C[C@H](CNCc1cccc(C#N)n1)N1CCC[C@@H](C)C1 ZINC000602514759 347063925 /nfs/dbraw/zinc/06/39/25/347063925.db2.gz LVCWTVAFNJGVHE-ZIAGYGMSSA-N 0 3 272.396 2.163 20 30 CEEDHN N#Cc1cccc(CNC[C@@H](CO)Cc2ccc(F)cc2)n1 ZINC000602532587 347068681 /nfs/dbraw/zinc/06/86/81/347068681.db2.gz ZQQXTXHYWVBAMR-AWEZNQCLSA-N 0 3 299.349 2.033 20 30 CEEDHN C[C@H](O)[C@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000305154271 344709630 /nfs/dbraw/zinc/70/96/30/344709630.db2.gz BNGFVRLJEXLHAT-ZFWWWQNUSA-N 0 3 274.364 2.030 20 30 CEEDHN CN1CCC(NC(=O)Cn2cc3ccccc3n2)CC1 ZINC000330046557 530047406 /nfs/dbraw/zinc/04/74/06/530047406.db2.gz GZQQRRYUDWTSLH-UHFFFAOYSA-N 0 3 272.352 2.087 20 30 CEEDHN C=C[C@@H](C)NCc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602565819 347080660 /nfs/dbraw/zinc/08/06/60/347080660.db2.gz AKMXPWJPRMNELS-SNVBAGLBSA-N 0 3 265.357 2.040 20 30 CEEDHN CC(C)C[C@@H](CCO)CNCc1cccc(C#N)n1 ZINC000602561874 347078334 /nfs/dbraw/zinc/07/83/34/347078334.db2.gz QIMNBQVBDVUGRX-CYBMUJFWSA-N 0 3 261.369 2.088 20 30 CEEDHN N#Cc1cccc(CNCCC[C@@H]2CCCC[C@H]2O)n1 ZINC000602574855 347085050 /nfs/dbraw/zinc/08/50/50/347085050.db2.gz FNYBDBMXHPJKRH-XJKSGUPXSA-N 0 3 273.380 2.374 20 30 CEEDHN CN(C)CCN(Cc1ccccc1F)c1cc(C#N)ncn1 ZINC000584567430 344957794 /nfs/dbraw/zinc/95/77/94/344957794.db2.gz KEAJNLNEWUSIKF-UHFFFAOYSA-N 0 3 299.353 2.056 20 30 CEEDHN N#Cc1nccc(N2CCN(CC3CCCCC3)CC2)n1 ZINC000584729846 344981572 /nfs/dbraw/zinc/98/15/72/344981572.db2.gz GKEFZRBOLOKJNI-UHFFFAOYSA-N 0 3 285.395 2.051 20 30 CEEDHN N#CCCCCCC(=O)NCCN1CCCCCC1 ZINC000588281743 345045084 /nfs/dbraw/zinc/04/50/84/345045084.db2.gz PGNLHAYEVIQSRR-UHFFFAOYSA-N 0 3 265.401 2.453 20 30 CEEDHN CN(C)CC1(NC(=O)CCc2ccc(C#N)cc2)CCC1 ZINC000351625054 219152470 /nfs/dbraw/zinc/15/24/70/219152470.db2.gz SDGFPDTYKYIAQO-UHFFFAOYSA-N 0 3 285.391 2.091 20 30 CEEDHN N#CCCOCCN1CCC(c2cccnc2)CC1 ZINC000590168683 345119174 /nfs/dbraw/zinc/11/91/74/345119174.db2.gz VFCNWYYNJPEWFZ-UHFFFAOYSA-N 0 3 259.353 2.191 20 30 CEEDHN CN1C[C@@H]2CCN(Cc3ccc(Cl)cc3C#N)[C@@H]2C1 ZINC000590011650 345110274 /nfs/dbraw/zinc/11/02/74/345110274.db2.gz LHMDONPVFFVIRF-SWLSCSKDSA-N 0 3 275.783 2.348 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)CC1(C#N)CC1)C(C)C ZINC000590246569 345123070 /nfs/dbraw/zinc/12/30/70/345123070.db2.gz UYDBZVBBTYXKTQ-OAHLLOKOSA-N 0 3 289.423 2.495 20 30 CEEDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(F)c(C#N)c1 ZINC000590751827 345173872 /nfs/dbraw/zinc/17/38/72/345173872.db2.gz JTZQQWQVBGOMEK-OCCSQVGLSA-N 0 3 276.311 2.129 20 30 CEEDHN CN1CCC[C@@]2(CCN(C(=O)CCCCCC#N)C2)C1 ZINC000590505886 345143155 /nfs/dbraw/zinc/14/31/55/345143155.db2.gz AYMUGPLKJYIZKX-MRXNPFEDSA-N 0 3 277.412 2.405 20 30 CEEDHN CC(C)C[C@H](C#N)NC(=O)CCN1CCc2ccccc2C1 ZINC000591317435 345239922 /nfs/dbraw/zinc/23/99/22/345239922.db2.gz UBXOFFUNMJWDEE-QGZVFWFLSA-N 0 3 299.418 2.489 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@H]1c1cccc(F)c1 ZINC000591623161 345270156 /nfs/dbraw/zinc/27/01/56/345270156.db2.gz YRWNCIZTNFAWSM-KGLIPLIRSA-N 0 3 275.327 2.120 20 30 CEEDHN CC(C)OCC[C@@H](O)CNCc1ccc(C#N)c(Cl)c1 ZINC000591765966 345279246 /nfs/dbraw/zinc/27/92/46/345279246.db2.gz XHLCWXOHPDSSBC-CQSZACIVSA-N 0 3 296.798 2.477 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N1Cc1cnc2c(C#N)cnn2c1 ZINC000592512535 345363071 /nfs/dbraw/zinc/36/30/71/345363071.db2.gz JPQFFCPXNOQQCY-BXUZGUMPSA-N 0 3 269.352 2.364 20 30 CEEDHN CC[C@H]1CC[C@H](C)N1Cc1cnc2c(C#N)cnn2c1 ZINC000592512537 345363148 /nfs/dbraw/zinc/36/31/48/345363148.db2.gz JPQFFCPXNOQQCY-FZMZJTMJSA-N 0 3 269.352 2.364 20 30 CEEDHN CC(C)[C@H](NCc1ccncc1C#N)C1(CO)CC=CC1 ZINC000592178140 345335025 /nfs/dbraw/zinc/33/50/25/345335025.db2.gz XPGAYZIFCMNUOB-INIZCTEOSA-N 0 3 285.391 2.396 20 30 CEEDHN Cc1cncc(CCN(C)Cc2ccc(C#N)cc2)n1 ZINC000592996600 345419640 /nfs/dbraw/zinc/41/96/40/345419640.db2.gz IDOUBCYXEIHWPU-UHFFFAOYSA-N 0 3 266.348 2.331 20 30 CEEDHN COc1ccc(C2CCN(CCOCCC#N)CC2)nc1 ZINC000593038210 345427313 /nfs/dbraw/zinc/42/73/13/345427313.db2.gz XNLVIXCFEPZDIE-UHFFFAOYSA-N 0 3 289.379 2.200 20 30 CEEDHN CC[C@@H](C#N)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000593450904 345489476 /nfs/dbraw/zinc/48/94/76/345489476.db2.gz GOYNQSKQRZLNOL-INIZCTEOSA-N 0 3 287.407 2.435 20 30 CEEDHN CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)C(C#N)CC ZINC000593595714 345510897 /nfs/dbraw/zinc/51/08/97/345510897.db2.gz HZDSIGUJXOZVHF-RYUDHWBXSA-N 0 3 282.384 2.410 20 30 CEEDHN C[C@H](CNC(=O)N1Cc2cccc(C#N)c2C1)N(C)C1CC1 ZINC000593337786 345468447 /nfs/dbraw/zinc/46/84/47/345468447.db2.gz GPOYHTOHMOSBQX-GFCCVEGCSA-N 0 3 298.390 2.066 20 30 CEEDHN CCC(C#N)C(=O)N(CCC(=O)OC)Cc1ccccc1 ZINC000593420996 345481536 /nfs/dbraw/zinc/48/15/36/345481536.db2.gz LMAFMUPXXPJNEA-AWEZNQCLSA-N 0 3 288.347 2.128 20 30 CEEDHN C[C@@H](N[C@H](CO)CCF)c1ccc(C#N)c(F)c1 ZINC000593718537 345526652 /nfs/dbraw/zinc/52/66/52/345526652.db2.gz ILWDLCXYOGCCIJ-SKDRFNHKSA-N 0 3 254.280 2.068 20 30 CEEDHN CC[C@H](OCCNC(=O)C(C)C#N)c1ccccc1 ZINC000593787273 345538595 /nfs/dbraw/zinc/53/85/95/345538595.db2.gz QMMOARMPMAUPIM-OCCSQVGLSA-N 0 3 260.337 2.430 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000593802059 345541267 /nfs/dbraw/zinc/54/12/67/345541267.db2.gz KOPUNAXSHWLCIV-JJXSEGSLSA-N 0 3 284.359 2.195 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)c1ccc(F)c(C#N)c1 ZINC000593881791 345547636 /nfs/dbraw/zinc/54/76/36/345547636.db2.gz BUZBNPHZEQHPHO-UHFFFAOYSA-N 0 3 289.354 2.255 20 30 CEEDHN CCC(C#N)C(=O)N=c1cc(CCc2ccccc2C)[nH][nH]1 ZINC000593895274 345549600 /nfs/dbraw/zinc/54/96/00/345549600.db2.gz YBBNMNJEFJZPAR-CYBMUJFWSA-N 0 3 296.374 2.414 20 30 CEEDHN CC[C@H](C#N)C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000593897558 345550363 /nfs/dbraw/zinc/55/03/63/345550363.db2.gz QNAWGXLAQXMTJP-YNEHKIRRSA-N 0 3 277.368 2.375 20 30 CEEDHN CC(C)C[C@H](N)c1noc([C@H](N)CCCCC#N)n1 ZINC000593944205 345554387 /nfs/dbraw/zinc/55/43/87/345554387.db2.gz UENKBGHFZJGBCN-MNOVXSKESA-N 0 3 265.361 2.199 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](C(=O)OC)c1ccc(F)c(C)c1 ZINC000593613857 345513135 /nfs/dbraw/zinc/51/31/35/345513135.db2.gz VIQZJAKCPQQVIP-MFKMUULPSA-N 0 3 292.310 2.014 20 30 CEEDHN N#Cc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000594203809 345598184 /nfs/dbraw/zinc/59/81/84/345598184.db2.gz UMEIIUGGYZPDQV-CVEARBPZSA-N 0 3 283.375 2.305 20 30 CEEDHN CC(C)CN(CCN(C)C)C(=O)CCCCC#N ZINC000594283160 345608459 /nfs/dbraw/zinc/60/84/59/345608459.db2.gz CUVKNCVBOOUDGK-UHFFFAOYSA-N 0 3 253.390 2.117 20 30 CEEDHN CC(C)OCCN1CCC(NC(=O)CCCCC#N)CC1 ZINC000594307375 345611498 /nfs/dbraw/zinc/61/14/98/345611498.db2.gz WKZTXJQNWUZMFB-UHFFFAOYSA-N 0 3 295.427 2.076 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC1=CCN(C)CC1 ZINC000594336449 345612963 /nfs/dbraw/zinc/61/29/63/345612963.db2.gz KCLJJQALMGMRTN-CQSZACIVSA-N 0 3 297.402 2.115 20 30 CEEDHN Cc1ccc(CNC(=O)[C@H](N)CCCCC#N)c(C)c1 ZINC000594426235 345626338 /nfs/dbraw/zinc/62/63/38/345626338.db2.gz DMJYRYVDFWQFPM-OAHLLOKOSA-N 0 3 273.380 2.331 20 30 CEEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CCCCNC2=O)cc1 ZINC000594495354 345638518 /nfs/dbraw/zinc/63/85/18/345638518.db2.gz QZEYOPQXDFONMA-OAHLLOKOSA-N 0 3 285.391 2.246 20 30 CEEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)C1CCCCC1 ZINC000594429492 345627907 /nfs/dbraw/zinc/62/79/07/345627907.db2.gz QNSGFTMPTXYGBX-JSGCOSHPSA-N 0 3 265.401 2.483 20 30 CEEDHN C[C@@H]1CCC[C@@H](CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594431211 345628570 /nfs/dbraw/zinc/62/85/70/345628570.db2.gz JSAYFOFQVNNYAQ-MCIONIFRSA-N 0 3 265.401 2.340 20 30 CEEDHN CC[C@H](NC(=O)[C@H](N)CCCCC#N)c1nc(C)cs1 ZINC000594438181 345630591 /nfs/dbraw/zinc/63/05/91/345630591.db2.gz NCTRIWNINSHQCJ-NEPJUHHUSA-N 0 3 294.424 2.430 20 30 CEEDHN Cc1csc([C@H](C)NC(=O)[C@@H](N)CCCCC#N)n1 ZINC000594437507 345630682 /nfs/dbraw/zinc/63/06/82/345630682.db2.gz JVBBNCJBRRHBRI-QWRGUYRKSA-N 0 3 280.397 2.040 20 30 CEEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCCC#N)[C@H]2CCCC[C@@H]12 ZINC000594439025 345631450 /nfs/dbraw/zinc/63/14/50/345631450.db2.gz ZECCYUPRJGYJPL-BARDWOONSA-N 0 3 277.412 2.435 20 30 CEEDHN CCC1(CC)[C@H](NC(=O)[C@H](N)CCCCC#N)C[C@H]1OC ZINC000594445780 345632795 /nfs/dbraw/zinc/63/27/95/345632795.db2.gz LVVOCGMUEMZLQH-MGPQQGTHSA-N 0 3 295.427 2.108 20 30 CEEDHN CC(C)(C)[C@@H](N)c1cn(-c2cccc(C#N)c2)nn1 ZINC000594652289 345666894 /nfs/dbraw/zinc/66/68/94/345666894.db2.gz QSCNEFLBDUYFDJ-ZDUSSCGKSA-N 0 3 255.325 2.185 20 30 CEEDHN CN(Cc1ccccc1)[C@@H]1CCN(c2ccnc(C#N)n2)C1 ZINC000594554562 345647302 /nfs/dbraw/zinc/64/73/02/345647302.db2.gz ZOGYDIAGPAUITE-OAHLLOKOSA-N 0 3 293.374 2.059 20 30 CEEDHN N#CCC[C@H](N[C@H]1CCCNC(=O)C1)c1ccccc1 ZINC000602579563 347087094 /nfs/dbraw/zinc/08/70/94/347087094.db2.gz ALFVEENDCSILKH-GJZGRUSLSA-N 0 3 271.364 2.290 20 30 CEEDHN C[C@@]1(CCN[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1(F)F ZINC000594733127 345681374 /nfs/dbraw/zinc/68/13/74/345681374.db2.gz YERWSGUCKZNZFJ-TZMCWYRMSA-N 0 3 293.317 2.110 20 30 CEEDHN N#Cc1ccc(NC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1Cl ZINC000595230183 345746542 /nfs/dbraw/zinc/74/65/42/345746542.db2.gz MDRYLLVXERRNQB-VXGBXAGGSA-N 0 3 296.733 2.115 20 30 CEEDHN C=CCCSCCNC(=O)C1(N)CCCCC1 ZINC000595255254 345748836 /nfs/dbraw/zinc/74/88/36/345748836.db2.gz CRZCMYGRNHVQIB-UHFFFAOYSA-N 0 3 256.415 2.074 20 30 CEEDHN C[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)[C@H](C)C1 ZINC000595257254 345749680 /nfs/dbraw/zinc/74/96/80/345749680.db2.gz RVGBAZRTELYSTC-JHJVBQTASA-N 0 3 251.374 2.045 20 30 CEEDHN CN(C[C@@H]1CCc2ccccc21)C(=O)[C@@H](N)CCCC#N ZINC000595260070 345750847 /nfs/dbraw/zinc/75/08/47/345750847.db2.gz TWLWTXHTWQSDGH-HOCLYGCPSA-N 0 3 285.391 2.196 20 30 CEEDHN CO[C@H](CNC(=O)[C@@H](N)CCCCC#N)C1CCCCC1 ZINC000595260099 345750878 /nfs/dbraw/zinc/75/08/78/345750878.db2.gz USTHWDVMHGJNJX-LSDHHAIUSA-N 0 3 295.427 2.109 20 30 CEEDHN Cc1cc([C@H](C)NCCc2ccc(C#N)cc2)nn1C ZINC000595055914 345736079 /nfs/dbraw/zinc/73/60/79/345736079.db2.gz MPJWCBAMNCAOID-ZDUSSCGKSA-N 0 3 268.364 2.494 20 30 CEEDHN C=CCCSCCN[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000595060171 345737476 /nfs/dbraw/zinc/73/74/76/345737476.db2.gz TXNVKNIWHSMYES-CHWSQXEVSA-N 0 3 291.482 2.241 20 30 CEEDHN CN(CCC(C)(C)C#N)[C@@H](CO)Cc1ccccc1 ZINC000595590720 345819942 /nfs/dbraw/zinc/81/99/42/345819942.db2.gz AYELRSDADUOPGI-OAHLLOKOSA-N 0 3 260.381 2.462 20 30 CEEDHN N#Cc1ccc(CCN2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC000595318615 345761290 /nfs/dbraw/zinc/76/12/90/345761290.db2.gz XDASZGPNXIWTHZ-QGZVFWFLSA-N 0 3 297.402 2.188 20 30 CEEDHN CC(C)[C@H](C#N)N1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000595396664 345773882 /nfs/dbraw/zinc/77/38/82/345773882.db2.gz DAKQYAAPHIRPBH-FZKCQIBNSA-N 0 3 261.413 2.198 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595501531 345797184 /nfs/dbraw/zinc/79/71/84/345797184.db2.gz MAYYDPKESMPJMT-FMKPAKJESA-N 0 3 292.427 2.194 20 30 CEEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000595661306 345841341 /nfs/dbraw/zinc/84/13/41/345841341.db2.gz YFTZCQSZXQRGDQ-ZIAGYGMSSA-N 0 3 263.385 2.035 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595665008 345842274 /nfs/dbraw/zinc/84/22/74/345842274.db2.gz RPELVWITJLAZPA-KBPBESRZSA-N 0 3 292.427 2.194 20 30 CEEDHN COc1ccc(CN2C[C@@H](C)C(O)[C@H](C)C2)cc1C#N ZINC000595743774 345864393 /nfs/dbraw/zinc/86/43/93/345864393.db2.gz QSXNZPBILXBSAU-VXGBXAGGSA-N 0 3 274.364 2.016 20 30 CEEDHN COC(=O)[C@@H]1CCN(CCCC#N)[C@@H]2CCCC[C@@H]12 ZINC000595731351 345861794 /nfs/dbraw/zinc/86/17/94/345861794.db2.gz BJNALIBUPJGNOM-BFHYXJOUSA-N 0 3 264.369 2.344 20 30 CEEDHN CO[C@H](CNC(C)(C)c1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000595633788 345833356 /nfs/dbraw/zinc/83/33/56/345833356.db2.gz ZWVBJXJLXYIJLE-GDBMZVCRSA-N 0 3 288.391 2.434 20 30 CEEDHN COC(=O)CCCNC(C)(C)c1cccc(C#N)c1 ZINC000595639128 345834122 /nfs/dbraw/zinc/83/41/22/345834122.db2.gz HNUXUCNSOMRAFF-UHFFFAOYSA-N 0 3 260.337 2.336 20 30 CEEDHN C=CCN(CCOc1ccc(C#N)cc1)[C@H](C)COC ZINC000595645064 345836489 /nfs/dbraw/zinc/83/64/89/345836489.db2.gz DVPBSHPKCFMQNK-CQSZACIVSA-N 0 3 274.364 2.460 20 30 CEEDHN COc1ccc(CN2CC[C@H]3COC[C@H]3C2)cc1C#N ZINC000595829841 345888406 /nfs/dbraw/zinc/88/84/06/345888406.db2.gz IUFHWOYFUOXOJF-DZGCQCFKSA-N 0 3 272.348 2.035 20 30 CEEDHN COc1ccc(CN2C[C@@H]3COC[C@]3(C)C2)cc1C#N ZINC000595756191 345867298 /nfs/dbraw/zinc/86/72/98/345867298.db2.gz FHGRYCYDYPUFMO-ZBFHGGJFSA-N 0 3 272.348 2.035 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)NCC2(C#N)CCCCC2)C1 ZINC000595798521 345878174 /nfs/dbraw/zinc/87/81/74/345878174.db2.gz DWCQDWWNSWPASR-CQSZACIVSA-N 0 3 292.427 2.244 20 30 CEEDHN CCN1CCC(Nc2nc3ncccc3cc2C#N)CC1 ZINC000596062456 345931113 /nfs/dbraw/zinc/93/11/13/345931113.db2.gz PBBLBBGHWGOCLG-UHFFFAOYSA-N 0 3 281.363 2.398 20 30 CEEDHN C[C@@]1(C#N)CCN(C(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000595983147 345920553 /nfs/dbraw/zinc/92/05/53/345920553.db2.gz YVLDAMXXIUUXFU-ZFWWWQNUSA-N 0 3 263.385 2.046 20 30 CEEDHN CC(C)(C)C(F)(F)CNC(=O)[C@H](N)CCCCC#N ZINC000595994630 345921733 /nfs/dbraw/zinc/92/17/33/345921733.db2.gz UGRQVABAQVGQKW-SNVBAGLBSA-N 0 3 275.343 2.195 20 30 CEEDHN CCC[N@H+](CC)CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596154172 345953702 /nfs/dbraw/zinc/95/37/02/345953702.db2.gz YNXNNDJQWHUMSW-UHFFFAOYSA-N 0 3 272.805 2.234 20 30 CEEDHN CCC[N@@H+](CC)CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596154172 345953704 /nfs/dbraw/zinc/95/37/04/345953704.db2.gz YNXNNDJQWHUMSW-UHFFFAOYSA-N 0 3 272.805 2.234 20 30 CEEDHN CN(C)[C@H](CNc1c(C#N)cnn1C)c1ccsc1 ZINC000596077649 345934751 /nfs/dbraw/zinc/93/47/51/345934751.db2.gz VTLRTEJQJOKCBD-GFCCVEGCSA-N 0 3 275.381 2.068 20 30 CEEDHN Cc1ccccc1[C@@H]([C@@H](C)Nc1cc(C#N)cnn1)N(C)C ZINC000596232543 345975684 /nfs/dbraw/zinc/97/56/84/345975684.db2.gz VRLGNGKGOUENDM-CXAGYDPISA-N 0 3 295.390 2.182 20 30 CEEDHN N#Cc1cc(NC[C@H]2CCN2Cc2ccccc2)ccn1 ZINC000596556339 346054365 /nfs/dbraw/zinc/05/43/65/346054365.db2.gz AZZUSHHGZSYQMZ-QGZVFWFLSA-N 0 3 278.359 2.062 20 30 CEEDHN CC(C)[C@@H]1CN(C(=O)Nc2cccc(C#N)c2)CCN1 ZINC000596502512 346040713 /nfs/dbraw/zinc/04/07/13/346040713.db2.gz RNTIWUMQHQXOIR-AWEZNQCLSA-N 0 3 272.352 2.020 20 30 CEEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1cnccc1N ZINC000596652426 346072137 /nfs/dbraw/zinc/07/21/37/346072137.db2.gz UHDSGOFYAKWFDO-GFCCVEGCSA-N 0 3 266.348 2.259 20 30 CEEDHN C[C@@H](CC#N)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000596913079 346105840 /nfs/dbraw/zinc/10/58/40/346105840.db2.gz ZOBJAMRAJPGFHG-ZDUSSCGKSA-N 0 3 291.370 2.266 20 30 CEEDHN CN(C)[C@H]1CCCN(C(=O)NCC2(C#N)CCCCC2)C1 ZINC000596866525 346098468 /nfs/dbraw/zinc/09/84/68/346098468.db2.gz NGOIFXVBWUJZRJ-AWEZNQCLSA-N 0 3 292.427 2.196 20 30 CEEDHN N#CC1(c2ccc(CN3CC[C@H](n4cncn4)C3)cc2)CC1 ZINC000597085488 346126979 /nfs/dbraw/zinc/12/69/79/346126979.db2.gz IYYWUXVZKQUJFD-INIZCTEOSA-N 0 3 293.374 2.280 20 30 CEEDHN COc1cc(CN2C[C@@H](C)[C@H](O)[C@@H](C)C2)ccc1C#N ZINC000597203951 346148033 /nfs/dbraw/zinc/14/80/33/346148033.db2.gz AWDZNARQVGAMMA-ATCWAGBWSA-N 0 3 274.364 2.016 20 30 CEEDHN C[C@@H]1CN(Cc2cc(C#N)cs2)C[C@H](C)[C@H]1O ZINC000597206478 346148896 /nfs/dbraw/zinc/14/88/96/346148896.db2.gz SJLMHSHDEDJVOK-IWIIMEHWSA-N 0 3 250.367 2.068 20 30 CEEDHN C=CCOc1cccc(CN[C@H]2C[C@@H](C(=O)OC)C2)c1 ZINC000597218989 346151654 /nfs/dbraw/zinc/15/16/54/346151654.db2.gz XVDYNXGGKDPTSI-OKILXGFUSA-N 0 3 275.348 2.293 20 30 CEEDHN CN1CCC[C@@H]1CNC(=O)CC1(C#N)CCCCC1 ZINC000597224278 346153867 /nfs/dbraw/zinc/15/38/67/346153867.db2.gz CONMJEMYOCYGPN-CYBMUJFWSA-N 0 3 263.385 2.061 20 30 CEEDHN CN(C)C(=O)N(C)[C@@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000597224482 346154007 /nfs/dbraw/zinc/15/40/07/346154007.db2.gz HOBUSWGZKIJKBM-CYBMUJFWSA-N 0 3 280.416 2.004 20 30 CEEDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc(C#N)oc1C ZINC000597604490 346206536 /nfs/dbraw/zinc/20/65/36/346206536.db2.gz JCFWKJYSGRIRLY-GFCCVEGCSA-N 0 3 275.352 2.016 20 30 CEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccccn1 ZINC000602585416 347089148 /nfs/dbraw/zinc/08/91/48/347089148.db2.gz QICIGOHUGMYQGR-CYBMUJFWSA-N 0 3 259.353 2.270 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000597860187 346240124 /nfs/dbraw/zinc/24/01/24/346240124.db2.gz LJWVUYXQEXCCKH-CXAGYDPISA-N 0 3 289.423 2.449 20 30 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N#CCSCC(=O)N[C@H]1CCCN(C2CCCCC2)C1 ZINC000068526650 362943093 /nfs/dbraw/zinc/94/30/93/362943093.db2.gz VMAYJFOHHZPCNE-ZDUSSCGKSA-N 0 3 295.452 2.156 20 30 CEEDHN CN1CCC(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619781180 349235453 /nfs/dbraw/zinc/23/54/53/349235453.db2.gz XQDUODFYUKKTQU-UHFFFAOYSA-N 0 3 291.782 2.170 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC000620306382 349338975 /nfs/dbraw/zinc/33/89/75/349338975.db2.gz DRWKZFWDFKIVRB-HZSPNIEDSA-N 0 3 250.386 2.282 20 30 CEEDHN C=CC[C@@H](CO)CNCc1ccc(F)c(F)c1N(C)C ZINC000623483865 350031592 /nfs/dbraw/zinc/03/15/92/350031592.db2.gz VFAZSVOYIVUVJY-LLVKDONJSA-N 0 3 284.350 2.305 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000623708765 350087668 /nfs/dbraw/zinc/08/76/68/350087668.db2.gz UNZPBOHSZIJOPJ-HUUCEWRRSA-N 0 3 279.428 2.468 20 30 CEEDHN C[C@H](CC(=O)N(C)C)N[C@@H](CCC#N)c1ccccc1 ZINC000090664857 180020225 /nfs/dbraw/zinc/02/02/25/180020225.db2.gz XXVVOYDVLHKAPE-HIFRSBDPSA-N 0 3 273.380 2.488 20 30 CEEDHN COCCCOCCN(C)Cc1ccc(OC)c(C#N)c1 ZINC000091102110 180098352 /nfs/dbraw/zinc/09/83/52/180098352.db2.gz OWRJLKWECGDCCN-UHFFFAOYSA-N 0 3 292.379 2.052 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H](CC)CSC ZINC000091098990 180096407 /nfs/dbraw/zinc/09/64/07/180096407.db2.gz JZASUGKXLKPOSC-CYBMUJFWSA-N 0 3 272.458 2.484 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@H](c1ccccc1)C1CCC1 ZINC000104697585 186016471 /nfs/dbraw/zinc/01/64/71/186016471.db2.gz VOJSYMBHXGVWKZ-CZUORRHYSA-N 0 3 270.376 2.255 20 30 CEEDHN C[C@H]1[C@H](CO)CCCN1CCOc1ccc(C#N)cc1 ZINC000412071972 233329124 /nfs/dbraw/zinc/32/91/24/233329124.db2.gz HCQRVDJQSKDXRW-ZFWWWQNUSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@@H]1CCN(C)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412124640 233345108 /nfs/dbraw/zinc/34/51/08/233345108.db2.gz QMYOACPRMHKDTJ-XOKHGSTOSA-N 0 3 297.402 2.214 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000624323952 350260075 /nfs/dbraw/zinc/26/00/75/350260075.db2.gz DFIASSSUQMGKQB-KGLIPLIRSA-N 0 3 279.428 2.467 20 30 CEEDHN Cn1cnnc1C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000105796743 186071257 /nfs/dbraw/zinc/07/12/57/186071257.db2.gz ONSCXLLAWOIBLA-UHFFFAOYSA-N 0 3 281.363 2.066 20 30 CEEDHN C=CCN(CCc1ccccc1)C[C@@H](O)CC1(O)CCC1 ZINC000625108710 350407209 /nfs/dbraw/zinc/40/72/09/350407209.db2.gz JJBZBJJCMSJTNA-KRWDZBQOSA-N 0 3 289.419 2.383 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)cn2C)CC1 ZINC000106038157 186099093 /nfs/dbraw/zinc/09/90/93/186099093.db2.gz MGQOCJJSCSIANU-UHFFFAOYSA-N 0 3 295.814 2.449 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C[C@H]2C=CCC2)CC1 ZINC000106039062 186099748 /nfs/dbraw/zinc/09/97/48/186099748.db2.gz ZXORRCYFVDHABV-AWEZNQCLSA-N 0 3 262.397 2.499 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCCN2CC)CC1 ZINC000106034066 186099921 /nfs/dbraw/zinc/09/99/21/186099921.db2.gz SGLHLMGXGCRDFX-INIZCTEOSA-N 0 3 293.455 2.018 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000625699743 350549429 /nfs/dbraw/zinc/54/94/29/350549429.db2.gz GRDNZJQQCHSLOG-QLFBSQMISA-N 0 3 264.413 2.389 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000625699744 350549633 /nfs/dbraw/zinc/54/96/33/350549633.db2.gz GRDNZJQQCHSLOG-RBSFLKMASA-N 0 3 264.413 2.389 20 30 CEEDHN C=CC[C@@H]1CCN(CCn2c(C)csc2=O)C1 ZINC000625702586 350550566 /nfs/dbraw/zinc/55/05/66/350550566.db2.gz VLJVHVFMNWRHOA-GFCCVEGCSA-N 0 3 252.383 2.116 20 30 CEEDHN C=CC[C@H]1CCN(Cc2cc(=O)n3cc(C)ccc3n2)C1 ZINC000625704485 350551523 /nfs/dbraw/zinc/55/15/23/350551523.db2.gz OABALZCJQYCAKY-AWEZNQCLSA-N 0 3 283.375 2.401 20 30 CEEDHN C=CC[C@@H]1CCN(CCCCCS(=O)(=O)CC)C1 ZINC000625704133 350551915 /nfs/dbraw/zinc/55/19/15/350551915.db2.gz VVSRYEWOMMWGES-CQSZACIVSA-N 0 3 273.442 2.489 20 30 CEEDHN CN1CCC[C@@H](CNC(=O)Nc2ccc(C#N)cc2)C1 ZINC000108433378 186216542 /nfs/dbraw/zinc/21/65/42/186216542.db2.gz SKBXYSLNGBTTDP-ZDUSSCGKSA-N 0 3 272.352 2.022 20 30 CEEDHN C[C@H](N[C@H]1CCCOC1)c1ccc(OCC#N)cc1 ZINC000109544938 186261754 /nfs/dbraw/zinc/26/17/54/186261754.db2.gz UFUYTKXZDTYDNX-JSGCOSHPSA-N 0 3 260.337 2.419 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCN(c3ccccn3)C2)c1 ZINC000120622488 186913581 /nfs/dbraw/zinc/91/35/81/186913581.db2.gz SZBIEQBNQKCHSL-MRXNPFEDSA-N 0 3 278.359 2.322 20 30 CEEDHN C=CCN1CC[C@H](N(C)CC2CCCCC2)C1=O ZINC000337136682 366035063 /nfs/dbraw/zinc/03/50/63/366035063.db2.gz OSZGMZPZHXBTEA-AWEZNQCLSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCN1CC[C@H](N2CC[C@@](C)(c3ccccc3)C2)C1=O ZINC000337184636 366060028 /nfs/dbraw/zinc/06/00/28/366060028.db2.gz NXVRBKOWOGPCQI-FUHWJXTLSA-N 0 3 284.403 2.437 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C#N)cc2)CCN1C ZINC000122923712 187059839 /nfs/dbraw/zinc/05/98/39/187059839.db2.gz KIHUUBWBEUUXMO-IUODEOHRSA-N 0 3 271.364 2.113 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)NCc1cccc(C#N)c1 ZINC000124128597 187123383 /nfs/dbraw/zinc/12/33/83/187123383.db2.gz CPMMDDQMNUZEEU-HNNXBMFYSA-N 0 3 271.364 2.049 20 30 CEEDHN N#Cc1ccc(CNC(=O)[C@@H](C2CC2)N2CCCC2)cc1 ZINC000124270052 187129304 /nfs/dbraw/zinc/12/93/04/187129304.db2.gz OPQJVZBLNDNOHV-MRXNPFEDSA-N 0 3 283.375 2.049 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000123322075 187084774 /nfs/dbraw/zinc/08/47/74/187084774.db2.gz QVADJKDDUBJXCX-HNNXBMFYSA-N 0 3 285.391 2.281 20 30 CEEDHN C=CCCCNCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631123759 351975245 /nfs/dbraw/zinc/97/52/45/351975245.db2.gz LMAIUPFKELWPES-UHFFFAOYSA-N 0 3 288.800 2.043 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000669694783 539944898 /nfs/dbraw/zinc/94/48/98/539944898.db2.gz MMEGRKKHXBCSCS-HOCLYGCPSA-N 0 3 289.423 2.336 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(N2CCc3ccccc32)CC1 ZINC000669694898 539945350 /nfs/dbraw/zinc/94/53/50/539945350.db2.gz FOUMKIMGQVNVCZ-GOSISDBHSA-N 0 3 286.419 2.451 20 30 CEEDHN N#Cc1ccc(N2CCN(C3CCCCC3)CC2)cn1 ZINC000152432626 188018177 /nfs/dbraw/zinc/01/81/77/188018177.db2.gz HTHTXRVFCVNCKO-UHFFFAOYSA-N 0 3 270.380 2.408 20 30 CEEDHN C=CCN(C)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000154777449 188161707 /nfs/dbraw/zinc/16/17/07/188161707.db2.gz PLBRDUIUPSZYQK-GFCCVEGCSA-N 0 3 263.337 2.245 20 30 CEEDHN C=C(C)CNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000156892512 188286503 /nfs/dbraw/zinc/28/65/03/188286503.db2.gz CDBJCRDSJGIHRN-ZBFHGGJFSA-N 0 3 287.407 2.382 20 30 CEEDHN CC(C)(C)n1ncnc1CNCC(C)(C)CCC#N ZINC000337282861 366124681 /nfs/dbraw/zinc/12/46/81/366124681.db2.gz IQEOJVRJWQRAPP-UHFFFAOYSA-N 0 3 263.389 2.453 20 30 CEEDHN CC(C)N1CCN(CCCN(C[C@H](C)C#N)C2CC2)CC1 ZINC000337321327 366141875 /nfs/dbraw/zinc/14/18/75/366141875.db2.gz PXJGOAPOZBQUIO-MRXNPFEDSA-N 0 3 292.471 2.027 20 30 CEEDHN CN(C)[C@H](CNc1cnc(C#N)cn1)c1ccccc1 ZINC000132961552 366184956 /nfs/dbraw/zinc/18/49/56/366184956.db2.gz GKCRJLGMFLPMFM-CQSZACIVSA-N 0 3 267.336 2.063 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)c1cccc(C#N)c1C ZINC000338116221 366198182 /nfs/dbraw/zinc/19/81/82/366198182.db2.gz HSIIQCHQBAIINM-HNNXBMFYSA-N 0 3 285.391 2.471 20 30 CEEDHN C#CC[C@@H](NCC[C@H]1CCOC1=O)c1ccccc1 ZINC000271748316 191302718 /nfs/dbraw/zinc/30/27/18/191302718.db2.gz WYHQGNRSNATZJB-LSDHHAIUSA-N 0 3 257.333 2.294 20 30 CEEDHN Cc1nnc(N[C@H]2C[C@H](C)N(C3CC3)C2)c(C#N)c1C ZINC000133540962 366234168 /nfs/dbraw/zinc/23/41/68/366234168.db2.gz ABCBANYYEBPUHQ-CABZTGNLSA-N 0 3 271.368 2.002 20 30 CEEDHN C#CCCN[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000271762003 191312179 /nfs/dbraw/zinc/31/21/79/191312179.db2.gz VRBPJIUEMGXDQF-RISCZKNCSA-N 0 3 272.348 2.470 20 30 CEEDHN CN1CC=C(CNc2ncc(C#N)cc2Cl)CC1 ZINC000271828905 191351756 /nfs/dbraw/zinc/35/17/56/191351756.db2.gz OKDVIMITDJLZHR-UHFFFAOYSA-N 0 3 262.744 2.280 20 30 CEEDHN N#Cc1ccc(N2CC[C@@H](N3CCCCC3)C2)nc1 ZINC000110258961 283164713 /nfs/dbraw/zinc/16/47/13/283164713.db2.gz YIZIEACSELZWQQ-CQSZACIVSA-N 0 3 256.353 2.018 20 30 CEEDHN CC(=O)c1ccc(C#N)c(NCC2=CCN(C)CC2)c1 ZINC000273719549 192276633 /nfs/dbraw/zinc/27/66/33/192276633.db2.gz GMXHZROTMLFAEB-UHFFFAOYSA-N 0 3 269.348 2.435 20 30 CEEDHN N#Cc1ccccc1CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000335835423 283214580 /nfs/dbraw/zinc/21/45/80/283214580.db2.gz JXZQNAULUQRFEY-CVEARBPZSA-N 0 3 256.349 2.417 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C[C@@H](C)C(C)(C)C)C1=O ZINC000670270953 540263838 /nfs/dbraw/zinc/26/38/38/540263838.db2.gz PFDPDCRDUCNUHP-CHWSQXEVSA-N 0 3 252.402 2.387 20 30 CEEDHN C=CCN(C(=O)[C@H](N)CC1CCCCC1)C1CC1 ZINC000310645658 540348742 /nfs/dbraw/zinc/34/87/42/540348742.db2.gz DVJSSFNZUTWCJU-CQSZACIVSA-N 0 3 250.386 2.461 20 30 CEEDHN N#Cc1ccc(CNC[C@H]2CCN(CC(F)(F)F)C2)o1 ZINC000135151234 366402524 /nfs/dbraw/zinc/40/25/24/366402524.db2.gz DFBXCHOXTQZFNO-SNVBAGLBSA-N 0 3 287.285 2.125 20 30 CEEDHN C=CCC[C@@H](O)CN(C)[C@H]1CCCc2c1cnn2C ZINC000135561872 366454438 /nfs/dbraw/zinc/45/44/38/366454438.db2.gz NEURBSLRBQVUTC-OCCSQVGLSA-N 0 3 263.385 2.056 20 30 CEEDHN CCCN(Cc1ccc(C#N)cc1)CC(OC)OC ZINC000136739070 366523587 /nfs/dbraw/zinc/52/35/87/366523587.db2.gz YVDFBRJSGYRCPH-UHFFFAOYSA-N 0 3 262.353 2.389 20 30 CEEDHN C[C@@H]1[C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])CCCN1C ZINC000341564237 216014883 /nfs/dbraw/zinc/01/48/83/216014883.db2.gz LLFJMHNRERMISW-PWSUYJOCSA-N 0 3 274.324 2.361 20 30 CEEDHN N#Cc1cccc(OC2CCN(CCc3cn[nH]c3)CC2)c1 ZINC000297295912 200138674 /nfs/dbraw/zinc/13/86/74/200138674.db2.gz AYGQOKSOYWZNHN-UHFFFAOYSA-N 0 3 296.374 2.367 20 30 CEEDHN COCC#CCN(Cc1ccc(F)cc1)C1CCOCC1 ZINC000672554816 540626376 /nfs/dbraw/zinc/62/63/76/540626376.db2.gz KVOZKFVNXHRKAT-UHFFFAOYSA-N 0 3 291.366 2.457 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](COCC)C1 ZINC000081520393 363725501 /nfs/dbraw/zinc/72/55/01/363725501.db2.gz UCVNXEMUGQTBQR-CABCVRRESA-N 0 3 282.428 2.158 20 30 CEEDHN CC#CCN1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000081559639 363729217 /nfs/dbraw/zinc/72/92/17/363729217.db2.gz RSFAXQIHRJACHB-LBPRGKRZSA-N 0 3 262.319 2.216 20 30 CEEDHN C=CCNC(=O)CN[C@@H](Cc1ccccc1OC)C(C)C ZINC000180038014 189233822 /nfs/dbraw/zinc/23/38/22/189233822.db2.gz SNAWWUCMZNZCQQ-HNNXBMFYSA-N 0 3 290.407 2.154 20 30 CEEDHN C=CCNC(=O)CN[C@H](Cc1ccc(C)cc1)C1CC1 ZINC000180037911 189234101 /nfs/dbraw/zinc/23/41/01/189234101.db2.gz GMMSKNPRAKJBDR-MRXNPFEDSA-N 0 3 272.392 2.208 20 30 CEEDHN N#CCC[C@@H](C#N)CNCCCN1CCc2ccccc21 ZINC000579747999 366698091 /nfs/dbraw/zinc/69/80/91/366698091.db2.gz YRLXQGIBESFYGW-HNNXBMFYSA-N 0 3 282.391 2.472 20 30 CEEDHN N#CCC[C@@H](C#N)CNC[C@H]1CCOC2(CCC2)C1 ZINC000579947965 366727947 /nfs/dbraw/zinc/72/79/47/366727947.db2.gz LTPTWOATCSCDKX-KBPBESRZSA-N 0 3 261.369 2.369 20 30 CEEDHN N#Cc1cccc(OCCN2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000153109764 366729737 /nfs/dbraw/zinc/72/97/37/366729737.db2.gz XQHUWHRLPSXQAE-WBVHZDCISA-N 0 3 286.375 2.438 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC12CCOCC2 ZINC000580041019 366740012 /nfs/dbraw/zinc/74/00/12/366740012.db2.gz YSYRNECIPFMXGH-HZPDHXFCSA-N 0 3 298.386 2.444 20 30 CEEDHN N#Cc1ccc(OCCN2CC[C@@]3(CCOC3)C2)cc1 ZINC000153987648 366749754 /nfs/dbraw/zinc/74/97/54/366749754.db2.gz QPCCVAJIEAPCJU-MRXNPFEDSA-N 0 3 272.348 2.049 20 30 CEEDHN COc1ccc(CN2CC[C@@H]([C@@H]3CCOC3)C2)cc1C#N ZINC000340173361 366789522 /nfs/dbraw/zinc/78/95/22/366789522.db2.gz KZNHYJJTLPCEQU-HUUCEWRRSA-N 0 3 286.375 2.425 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(C#N)cc1 ZINC000027771425 361658204 /nfs/dbraw/zinc/65/82/04/361658204.db2.gz QBHHQIYUBAFVGS-ZDUSSCGKSA-N 0 3 271.364 2.162 20 30 CEEDHN COCC#CCN[C@H](c1ccc(OC)cc1)C1CC1 ZINC000678893672 541189350 /nfs/dbraw/zinc/18/93/50/541189350.db2.gz PREZALFDDDAOSB-INIZCTEOSA-N 0 3 259.349 2.386 20 30 CEEDHN C[C@H](CNC(=O)c1cc(C#N)cs1)N1CCC(C)CC1 ZINC000084183254 363800355 /nfs/dbraw/zinc/80/03/55/363800355.db2.gz RMIHYNNAPMEKMT-GFCCVEGCSA-N 0 3 291.420 2.470 20 30 CEEDHN C=C(C)[C@@H](CO)N1CC[C@H](COc2ccccc2)C1 ZINC000679541975 541287226 /nfs/dbraw/zinc/28/72/26/541287226.db2.gz SUUFVWGCVLZLAY-GOEBONIOSA-N 0 3 261.365 2.324 20 30 CEEDHN COCCN(Cc1ccc(C#N)cc1)CC1=CCCOC1 ZINC000092567932 364082486 /nfs/dbraw/zinc/08/24/86/364082486.db2.gz BFLVADQCFGJYLW-UHFFFAOYSA-N 0 3 286.375 2.353 20 30 CEEDHN C[C@@H]1C[C@H](Nc2c(C#N)nnc3ccccc32)CCN1C ZINC000090795394 364065937 /nfs/dbraw/zinc/06/59/37/364065937.db2.gz PSXITIJOOYRBLC-VXGBXAGGSA-N 0 3 281.363 2.396 20 30 CEEDHN C#Cc1cccc(NC(=O)CN(C)C2CCCC2)c1 ZINC000092908326 364115138 /nfs/dbraw/zinc/11/51/38/364115138.db2.gz VDPKIRZXNHUDFZ-UHFFFAOYSA-N 0 3 256.349 2.481 20 30 CEEDHN C=CCOc1ccc(CN(C)CC(C)(C)O)cc1OC ZINC000093414595 364177305 /nfs/dbraw/zinc/17/73/05/364177305.db2.gz PVZSEEIPELGQNW-UHFFFAOYSA-N 0 3 279.380 2.463 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000334992879 364320705 /nfs/dbraw/zinc/32/07/05/364320705.db2.gz WISHKHUJYHSLDE-JSGCOSHPSA-N 0 3 286.379 2.471 20 30 CEEDHN CC[C@H](C)N1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000094593161 364281418 /nfs/dbraw/zinc/28/14/18/364281418.db2.gz OIZWOXLMEDZTTK-LBPRGKRZSA-N 0 3 288.351 2.387 20 30 CEEDHN C=CCNC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000156994204 366840337 /nfs/dbraw/zinc/84/03/37/366840337.db2.gz IBQXMCATESOAKY-MRXNPFEDSA-N 0 3 287.407 2.478 20 30 CEEDHN CC#CCN[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000156303043 366830690 /nfs/dbraw/zinc/83/06/90/366830690.db2.gz YQCLPKCEAXIQNV-HNNXBMFYSA-N 0 3 266.385 2.293 20 30 CEEDHN C[C@H]1CCN(C)CCN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000335228471 364657293 /nfs/dbraw/zinc/65/72/93/364657293.db2.gz KIBXTEBCPLABCZ-AWEZNQCLSA-N 0 3 297.402 2.142 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000107632684 364710987 /nfs/dbraw/zinc/71/09/87/364710987.db2.gz KULAEMMHCWZJAB-HOTGVXAUSA-N 0 3 294.439 2.445 20 30 CEEDHN Cn1cncc1CN[C@@H]1CCCN(c2ccccc2C#N)C1 ZINC000109077708 364717715 /nfs/dbraw/zinc/71/77/15/364717715.db2.gz MSVAGOSJPVKBMF-OAHLLOKOSA-N 0 3 295.390 2.050 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CC[C@@H]2CCCCO2)CC1 ZINC000110734293 364723404 /nfs/dbraw/zinc/72/34/04/364723404.db2.gz OYGMWBJAJMIZKR-INIZCTEOSA-N 0 3 294.439 2.492 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)NCCN(C)CC ZINC000111843065 364764306 /nfs/dbraw/zinc/76/43/06/364764306.db2.gz KDBQMEZCXSFQSK-UHFFFAOYSA-N 0 3 291.395 2.002 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)CC1 ZINC000112840292 364851377 /nfs/dbraw/zinc/85/13/77/364851377.db2.gz RMTOHSMRXVKZFQ-SQWLQELKSA-N 0 3 276.424 2.273 20 30 CEEDHN C=CC1CCN(C(=O)NCCN(C)CCCC)CC1 ZINC000112465747 364810991 /nfs/dbraw/zinc/81/09/91/364810991.db2.gz ZSNMIUXVQPYPLZ-UHFFFAOYSA-N 0 3 267.417 2.326 20 30 CEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C#N ZINC000335689777 364839153 /nfs/dbraw/zinc/83/91/53/364839153.db2.gz LAIZKMASJMNVBW-OLZOCXBDSA-N 0 3 263.385 2.011 20 30 CEEDHN C[C@H]1C[C@H](CO)CN(Cc2cc(C#N)cs2)C1 ZINC000335613951 212325389 /nfs/dbraw/zinc/32/53/89/212325389.db2.gz MZAOHJVJDTXPNK-JQWIXIFHSA-N 0 3 250.367 2.070 20 30 CEEDHN Cn1ccnc1[C@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000335748369 364924988 /nfs/dbraw/zinc/92/49/88/364924988.db2.gz UOHIWRFKEOSECP-AWEZNQCLSA-N 0 3 284.338 2.420 20 30 CEEDHN C=CC[C@H](CO)NCc1cn(C)nc1C1CCCCC1 ZINC000680484230 541418861 /nfs/dbraw/zinc/41/88/61/541418861.db2.gz HUCTYZBRIBQBJB-OAHLLOKOSA-N 0 3 277.412 2.494 20 30 CEEDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(C#N)oc1C ZINC000572195167 299352176 /nfs/dbraw/zinc/35/21/76/299352176.db2.gz SAGIPZDBPKSUKQ-ZDUSSCGKSA-N 0 3 289.379 2.406 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(C)c1C ZINC000115603450 365018653 /nfs/dbraw/zinc/01/86/53/365018653.db2.gz WCANFSXGLNCKRF-KBPBESRZSA-N 0 3 258.365 2.092 20 30 CEEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000119355550 365261529 /nfs/dbraw/zinc/26/15/29/365261529.db2.gz ICRMYIJVBLSZQJ-NEPJUHHUSA-N 0 3 282.409 2.162 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(C#N)cc2)CN1C1CC1 ZINC000119841986 365332388 /nfs/dbraw/zinc/33/23/88/365332388.db2.gz XLUGLPOYQPHXEZ-FZMZJTMJSA-N 0 3 284.363 2.305 20 30 CEEDHN C#CCSCCNCc1cc(OC)ccc1OCOC ZINC000120030762 365361564 /nfs/dbraw/zinc/36/15/64/365361564.db2.gz AGIYFDCJKBYJIJ-UHFFFAOYSA-N 0 3 295.404 2.134 20 30 CEEDHN C[C@@H]1[C@H](C)N(Cc2ccc(C#N)cc2F)CCN1C ZINC000336385641 213241479 /nfs/dbraw/zinc/24/14/79/213241479.db2.gz BCSBLBZDHHGAQS-NEPJUHHUSA-N 0 3 261.344 2.222 20 30 CEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cscc1C#N ZINC000336114300 365428002 /nfs/dbraw/zinc/42/80/02/365428002.db2.gz DRIRXKALEYDHRA-YPMHNXCESA-N 0 3 289.404 2.319 20 30 CEEDHN C=CCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000159225644 366891287 /nfs/dbraw/zinc/89/12/87/366891287.db2.gz WIZJIZBPBVBTGM-UKRRQHHQSA-N 0 3 273.380 2.135 20 30 CEEDHN C=CCCOCCNCc1ccc([N+](=O)[O-])cc1 ZINC000120881121 365488507 /nfs/dbraw/zinc/48/85/07/365488507.db2.gz VEOQAGVWJVNXQR-UHFFFAOYSA-N 0 3 250.298 2.277 20 30 CEEDHN COC(=O)CCN(Cc1ccc(C#N)cc1OC)C(C)C ZINC000120960585 365503614 /nfs/dbraw/zinc/50/36/14/365503614.db2.gz CCQPIESVYWJTEY-UHFFFAOYSA-N 0 3 290.363 2.340 20 30 CEEDHN CN(C(=O)C(C#N)CCc1ccccc1)[C@H]1CCCOC1 ZINC000340897827 367079918 /nfs/dbraw/zinc/07/99/18/367079918.db2.gz KHOQTZCOJNGMHL-HOTGVXAUSA-N 0 3 286.375 2.396 20 30 CEEDHN C=CCC(C)(C)CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000583477391 367054506 /nfs/dbraw/zinc/05/45/06/367054506.db2.gz LHXUFNRTZGPRJO-ZDUSSCGKSA-N 0 3 267.417 2.230 20 30 CEEDHN CC(C)OC[C@H](O)CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000583495193 367057680 /nfs/dbraw/zinc/05/76/80/367057680.db2.gz ULEXDBFTFRNZII-NVXWUHKLSA-N 0 3 288.391 2.311 20 30 CEEDHN CC(C)[C@H](NC(=O)C(C)C#N)c1nc(-c2cccnc2)no1 ZINC000357896178 370833658 /nfs/dbraw/zinc/83/36/58/370833658.db2.gz UIMYWVZEYUVBBT-PWSUYJOCSA-N 0 3 299.334 2.105 20 30 CEEDHN CCN(CCNC(=O)C(C)C#N)c1cccc(C)c1 ZINC000357826888 370830451 /nfs/dbraw/zinc/83/04/51/370830451.db2.gz MEZYJLCQXYIQMK-ZDUSSCGKSA-N 0 3 259.353 2.097 20 30 CEEDHN CCN(CCNC(=O)C(C)C#N)c1cccc(C)c1 ZINC000357826887 370831050 /nfs/dbraw/zinc/83/10/50/370831050.db2.gz MEZYJLCQXYIQMK-CYBMUJFWSA-N 0 3 259.353 2.097 20 30 CEEDHN CC(C)[C@@H](CO)NCc1ccc(C#N)cc1Cl ZINC000162763274 367188440 /nfs/dbraw/zinc/18/84/40/367188440.db2.gz NTTXBZNDNOQTFD-CYBMUJFWSA-N 0 3 252.745 2.318 20 30 CEEDHN CC[C@@H](CSC)N(C)CC(=O)N(CC)C[C@H](C)C#N ZINC000245577939 370842624 /nfs/dbraw/zinc/84/26/24/370842624.db2.gz FXPFXINFVVACDX-OLZOCXBDSA-N 0 3 285.457 2.068 20 30 CEEDHN CC(C)[C@H]1CN(c2cc(C#N)nc(C3CC3)n2)CCN1C ZINC000601155943 367216373 /nfs/dbraw/zinc/21/63/73/367216373.db2.gz OVIMDLKFWGNWSJ-CQSZACIVSA-N 0 3 285.395 2.002 20 30 CEEDHN C[C@@H]1CCC[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000163088758 367217994 /nfs/dbraw/zinc/21/79/94/367217994.db2.gz XKKKLSGGJKWZGH-DOMZBBRYSA-N 0 3 292.404 2.110 20 30 CEEDHN C=C(C)COCCNC[C@H](O)COc1ccc(C)cc1C ZINC000163857140 367268275 /nfs/dbraw/zinc/26/82/75/367268275.db2.gz FDKNLPRYEOGLNS-INIZCTEOSA-N 0 3 293.407 2.225 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC(C)(C)CC(C)(C)C1 ZINC000342345791 367400756 /nfs/dbraw/zinc/40/07/56/367400756.db2.gz KKOJLUHFPQYWFR-LBPRGKRZSA-N 0 3 252.402 2.435 20 30 CEEDHN CCOC[C@@H](NCc1cnc2ccc(C#N)cn12)C(C)C ZINC000342712102 367496384 /nfs/dbraw/zinc/49/63/84/367496384.db2.gz ZGJPSIYWOHWGGY-OAHLLOKOSA-N 0 3 286.379 2.357 20 30 CEEDHN C[C@@H](O)C[C@@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000342840770 367565383 /nfs/dbraw/zinc/56/53/83/367565383.db2.gz AFDCBFANWDYMFL-HIFRSBDPSA-N 0 3 298.390 2.331 20 30 CEEDHN C[C@@H](O)C[C@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000342840771 367565653 /nfs/dbraw/zinc/56/56/53/367565653.db2.gz AFDCBFANWDYMFL-UKRRQHHQSA-N 0 3 298.390 2.331 20 30 CEEDHN CC#CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000342795283 367538984 /nfs/dbraw/zinc/53/89/84/367538984.db2.gz FJBFYZXGVMYFLS-GDBMZVCRSA-N 0 3 285.391 2.144 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(C(=O)N(C)C)CC1 ZINC000172394781 367733934 /nfs/dbraw/zinc/73/39/34/367733934.db2.gz DIKLWPYHTSOHNK-CYBMUJFWSA-N 0 3 285.391 2.419 20 30 CEEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C#N)o1 ZINC000343336314 367758921 /nfs/dbraw/zinc/75/89/21/367758921.db2.gz CMBSMTHSGCHMHT-CYBMUJFWSA-N 0 3 289.379 2.392 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCCN1C1CCCC1 ZINC000343233136 367716084 /nfs/dbraw/zinc/71/60/84/367716084.db2.gz IGEVEXYPUJCQOD-HIFRSBDPSA-N 0 3 277.412 2.402 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000245922673 370888665 /nfs/dbraw/zinc/88/86/65/370888665.db2.gz GYHVDRCFWBORFX-DZGCQCFKSA-N 0 3 285.391 2.421 20 30 CEEDHN C[C@H](CNC(=O)NCCCCC#N)N1CCC[C@@H](C)C1 ZINC000245805281 370876222 /nfs/dbraw/zinc/87/62/22/370876222.db2.gz CHUULUBFGIHHJE-ZIAGYGMSSA-N 0 3 280.416 2.100 20 30 CEEDHN C[C@@H](NCCc1cccc(C#N)c1)c1nccn1C ZINC000343515304 367858204 /nfs/dbraw/zinc/85/82/04/367858204.db2.gz QHNXXYXZCRNBNB-GFCCVEGCSA-N 0 3 254.337 2.185 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000245961850 370895247 /nfs/dbraw/zinc/89/52/47/370895247.db2.gz SHXLKBONBXLZKZ-CZUORRHYSA-N 0 3 285.391 2.279 20 30 CEEDHN C[C@H]1[C@H](Nc2nc3ccccn3c2C#N)CCCN1C ZINC000343448824 367820186 /nfs/dbraw/zinc/82/01/86/367820186.db2.gz CBLKNCROTRPUGL-NWDGAFQWSA-N 0 3 269.352 2.101 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(C(C)C)C2)C1 ZINC000632508608 367822584 /nfs/dbraw/zinc/82/25/84/367822584.db2.gz IUYABTPVVQHCPO-ZDUSSCGKSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCN1CC[C@@H](N(C)CCCc2ccc(C)nc2)C1=O ZINC000343608196 367912724 /nfs/dbraw/zinc/91/27/24/367912724.db2.gz UNKIBNYIJYJJRK-MRXNPFEDSA-N 0 3 287.407 2.041 20 30 CEEDHN C=CCC[C@H](O)CN(C)C[C@@H]1COc2ccccc2O1 ZINC000245977933 370896540 /nfs/dbraw/zinc/89/65/40/370896540.db2.gz CKJRLGNRSWRWPX-UONOGXRCSA-N 0 3 277.364 2.085 20 30 CEEDHN CC[C@@H](C)CN(CC)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000343693452 367957249 /nfs/dbraw/zinc/95/72/49/367957249.db2.gz VTEZGYRTHSSMBA-IUODEOHRSA-N 0 3 273.380 2.453 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2ccccc2)o1 ZINC000343712959 367968017 /nfs/dbraw/zinc/96/80/17/367968017.db2.gz LUVBPAQZTWLGJA-AWEZNQCLSA-N 0 3 270.332 2.092 20 30 CEEDHN C=CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000174042915 367974941 /nfs/dbraw/zinc/97/49/41/367974941.db2.gz PQSAZGLOZBEANS-OAHLLOKOSA-N 0 3 287.407 2.478 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)NCCc1cccc(C#N)c1 ZINC000343858755 368043346 /nfs/dbraw/zinc/04/33/46/368043346.db2.gz VNQCXXQDNWAOLX-MRXNPFEDSA-N 0 3 285.391 2.091 20 30 CEEDHN C[C@@H](CNCc1ccc(C#N)o1)N1CCC[C@@H](C)C1 ZINC000174270100 368004397 /nfs/dbraw/zinc/00/43/97/368004397.db2.gz LFEJIFUPVCINIQ-OLZOCXBDSA-N 0 3 261.369 2.361 20 30 CEEDHN C=CCCCN(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000174293300 368005428 /nfs/dbraw/zinc/00/54/28/368005428.db2.gz 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/nfs/dbraw/zinc/18/26/47/368182647.db2.gz SCNTUHMFUWJBDD-ZYHUDNBSSA-N 0 3 262.309 2.249 20 30 CEEDHN C=C1CC(C)(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000633260613 368153826 /nfs/dbraw/zinc/15/38/26/368153826.db2.gz UQTRARJURLIEAO-CYBMUJFWSA-N 0 3 262.397 2.285 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)Nc2ccc(F)cc2C#N)CCCN1C ZINC000345248944 368208175 /nfs/dbraw/zinc/20/81/75/368208175.db2.gz JIVKEQZIPMFQIJ-GWCFXTLKSA-N 0 3 290.342 2.302 20 30 CEEDHN C[C@@H]1C[C@@H]1[C@H](NCC(=O)NCC#N)c1ccc(Cl)cc1 ZINC000180021279 368362740 /nfs/dbraw/zinc/36/27/40/368362740.db2.gz CHZLYJNQGASIQN-RIEGTJTDSA-N 0 3 291.782 2.266 20 30 CEEDHN CCN(CCNC(=O)c1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000180254991 368374966 /nfs/dbraw/zinc/37/49/66/368374966.db2.gz PRYFHKQCBZPNJC-UHFFFAOYSA-N 0 3 297.402 2.456 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCCn1ccnc1 ZINC000181105691 368423057 /nfs/dbraw/zinc/42/30/57/368423057.db2.gz WUFHTBFANMXIFQ-OAHLLOKOSA-N 0 3 292.427 2.018 20 30 CEEDHN COc1c(C)cc(CN(C)C(=O)C(C)C#N)cc1C 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CN(C[C@@H](O)c1ccc(C#N)cc1)[C@@H](CO)c1ccccc1 ZINC000268741051 372204777 /nfs/dbraw/zinc/20/47/77/372204777.db2.gz ZNMQGYXEMHSQAJ-ZWKOTPCHSA-N 0 3 296.370 2.257 20 30 CEEDHN C=CCCCCCn1cc([C@@H](N)C2CCOCC2)nn1 ZINC000641045180 372251502 /nfs/dbraw/zinc/25/15/02/372251502.db2.gz MNPKAGOZBIRJIV-HNNXBMFYSA-N 0 3 278.400 2.451 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NCc1ccc(C#N)cc1F ZINC000268901325 372280511 /nfs/dbraw/zinc/28/05/11/372280511.db2.gz RDZFDKVBFZKZNP-ZBEGNZNMSA-N 0 3 273.355 2.270 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000269608313 372503639 /nfs/dbraw/zinc/50/36/39/372503639.db2.gz LARAKTOSXYOAPL-BLLLJJGKSA-N 0 3 283.375 2.079 20 30 CEEDHN COc1ccc(CN(C)[C@@H](CO)C(C)(C)C)cc1C#N ZINC000269731589 372551868 /nfs/dbraw/zinc/55/18/68/372551868.db2.gz YBZGQISRDOMHKG-HNNXBMFYSA-N 0 3 276.380 2.406 20 30 CEEDHN C[C@@H](CNC(=O)c1ccc(C#N)s1)N1CCC[C@@H](C)C1 ZINC000362943115 372582694 /nfs/dbraw/zinc/58/26/94/372582694.db2.gz IQAYPNWKFGUXFM-NEPJUHHUSA-N 0 3 291.420 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CS[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1N(C)C ZINC000270655498 372886426 /nfs/dbraw/zinc/88/64/26/372886426.db2.gz NAYWBIAGLHEWSI-LSDHHAIUSA-N 0 3 275.421 2.036 20 30 CEEDHN C#CCNC(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000366181253 373000696 /nfs/dbraw/zinc/00/06/96/373000696.db2.gz XNBIELDJKOVWCT-NVXWUHKLSA-N 0 3 299.418 2.487 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)Cc1cccc(C#N)c1 ZINC000344758971 217301553 /nfs/dbraw/zinc/30/15/53/217301553.db2.gz ZUHJEAPQSQBDHN-ZIAGYGMSSA-N 0 3 285.391 2.389 20 30 CEEDHN C#CCCCCC(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000367628284 373167098 /nfs/dbraw/zinc/16/70/98/373167098.db2.gz FSZNVNWNBRRQJJ-DLBZAZTESA-N 0 3 284.403 2.394 20 30 CEEDHN C#Cc1ccc(CN2CCN(C3CCOCC3)C[C@H]2C)cc1 ZINC000367295801 373147566 /nfs/dbraw/zinc/14/75/66/373147566.db2.gz SYSHEEZMLLZEDS-MRXNPFEDSA-N 0 3 298.430 2.353 20 30 CEEDHN CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271936647 373225133 /nfs/dbraw/zinc/22/51/33/373225133.db2.gz KHZUMDDENDVZBP-SMDDNHRTSA-N 0 3 289.354 2.359 20 30 CEEDHN CS[C@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@@H]1N(C)C ZINC000272022413 373263757 /nfs/dbraw/zinc/26/37/57/373263757.db2.gz LPJISOVVWFYUDM-GJZGRUSLSA-N 0 3 293.411 2.175 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1NCC1(C)C ZINC000644015116 373338182 /nfs/dbraw/zinc/33/81/82/373338182.db2.gz YWSALZCGWQBSRN-HNNXBMFYSA-N 0 3 288.391 2.208 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)/C=C/c3ccc(C#N)cc3)[C@H]2C1 ZINC000272579194 373560007 /nfs/dbraw/zinc/56/00/07/373560007.db2.gz GONFQTVOSBFKND-SGUAIBKKSA-N 0 3 295.386 2.124 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000644630098 373572248 /nfs/dbraw/zinc/57/22/48/373572248.db2.gz LTTKBHFLWDNFOX-CYBMUJFWSA-N 0 3 250.386 2.189 20 30 CEEDHN N#CCCCN1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000371443326 373885481 /nfs/dbraw/zinc/88/54/81/373885481.db2.gz PKSMDPFRRMHKMH-HNNXBMFYSA-N 0 3 289.423 2.405 20 30 CEEDHN Cc1[nH]ncc1CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371463673 373891092 /nfs/dbraw/zinc/89/10/92/373891092.db2.gz 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C[C@H](CNC(=O)c1cn2c(n1)CCCC2)N(C)C1CC1 ZINC000328651632 376871462 /nfs/dbraw/zinc/87/14/62/376871462.db2.gz BOZMNRXSBPICBZ-LLVKDONJSA-N 0 3 276.384 2.007 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)c2cnn(C)c2C2CC2)C1 ZINC000328880613 376914604 /nfs/dbraw/zinc/91/46/04/376914604.db2.gz LXRKHMNVYDKZKJ-GFCCVEGCSA-N 0 3 276.384 2.086 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)NCCC1(O)CCC1 ZINC000328910363 376922731 /nfs/dbraw/zinc/92/27/31/376922731.db2.gz NJENIWQVUVGYRC-GFCCVEGCSA-N 0 3 254.374 2.122 20 30 CEEDHN C[C@@H](NC(=O)NCCN1CCC[C@@H](C)C1)[C@H]1CCCOC1 ZINC000329317696 376943659 /nfs/dbraw/zinc/94/36/59/376943659.db2.gz DFMUQEGQMQLNGG-KFWWJZLASA-N 0 3 297.443 2.037 20 30 CEEDHN C[C@@H](NC(=O)NCCN1CCC[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000329317697 376945112 /nfs/dbraw/zinc/94/51/12/376945112.db2.gz DFMUQEGQMQLNGG-RBSFLKMASA-N 0 3 297.443 2.037 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC000329354880 376951986 /nfs/dbraw/zinc/95/19/86/376951986.db2.gz GNQHLWIRUFMIIQ-NWDGAFQWSA-N 0 3 267.373 2.184 20 30 CEEDHN C[C@@H](C(=O)NCCc1cnccn1)N1CCCCCC1 ZINC000329399330 376960887 /nfs/dbraw/zinc/96/08/87/376960887.db2.gz VMZGABWGTBZEHI-ZDUSSCGKSA-N 0 3 276.384 2.240 20 30 CEEDHN C=CCSCCNCc1cc(C(=O)OC)c(C)n1C ZINC000291015664 377032603 /nfs/dbraw/zinc/03/26/03/377032603.db2.gz AGBZPIMKRJDTDZ-UHFFFAOYSA-N 0 3 282.409 2.129 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CC23CC3)cc1 ZINC000562775100 376997959 /nfs/dbraw/zinc/99/79/59/376997959.db2.gz WUKCWPHSKMOKKA-HUUCEWRRSA-N 0 3 279.343 2.157 20 30 CEEDHN C[C@H](NC(=O)[C@@H]1CCn2ccnc2C1)C1=CCN(C)CC1 ZINC000329702877 377000124 /nfs/dbraw/zinc/00/01/24/377000124.db2.gz IJYFSVLUSIYDNE-GXTWGEPZSA-N 0 3 288.395 2.052 20 30 CEEDHN C[C@@H](CNc1ncc2c(c1C#N)CCC2)N1CCC[C@@H](C)C1 ZINC000563018974 377062302 /nfs/dbraw/zinc/06/23/02/377062302.db2.gz NZCDJPXXYZOXPO-KGLIPLIRSA-N 0 3 298.434 2.396 20 30 CEEDHN CC#CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000292624802 377257748 /nfs/dbraw/zinc/25/77/48/377257748.db2.gz SDAQUSWOKPARRG-DZGCQCFKSA-N 0 3 273.380 2.000 20 30 CEEDHN C#CCN(C)CCCNc1cccc(F)c1[N+](=O)[O-] ZINC000292702317 377265497 /nfs/dbraw/zinc/26/54/97/377265497.db2.gz GDVODBDFXGIMFS-UHFFFAOYSA-N 0 3 265.288 2.101 20 30 CEEDHN CC1(C)CC[C@@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000563723705 377283913 /nfs/dbraw/zinc/28/39/13/377283913.db2.gz IGWWEQCSSOJPLA-ZDUSSCGKSA-N 0 3 257.337 2.275 20 30 CEEDHN C=CCC1(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CCOCC1 ZINC000424705588 377286345 /nfs/dbraw/zinc/28/63/45/377286345.db2.gz AHJQGRVPNNNDSK-UONOGXRCSA-N 0 3 292.423 2.101 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000424722708 377287619 /nfs/dbraw/zinc/28/76/19/377287619.db2.gz OHLMBUPLRPYAOR-DGCLKSJQSA-N 0 3 250.386 2.188 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000426027176 377390932 /nfs/dbraw/zinc/39/09/32/377390932.db2.gz GLCGRDQUONATIS-DZGCQCFKSA-N 0 3 297.468 2.174 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000426211032 377395489 /nfs/dbraw/zinc/39/54/89/377395489.db2.gz QXRDNHBAQBJMPP-MCIONIFRSA-N 0 3 265.401 2.219 20 30 CEEDHN N#Cc1ccc(CN2CCN(C3CCC3)CC2)c(F)c1 ZINC000265063040 190155124 /nfs/dbraw/zinc/15/51/24/190155124.db2.gz ZHVCNVTXSFTUPX-UHFFFAOYSA-N 0 3 273.355 2.367 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCSCC[C@H]1C ZINC000429767106 377521733 /nfs/dbraw/zinc/52/17/33/377521733.db2.gz NJYGPYASSGEQBH-CYBMUJFWSA-N 0 3 270.442 2.238 20 30 CEEDHN C#CCCNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000265095161 190157369 /nfs/dbraw/zinc/15/73/69/190157369.db2.gz RFUVWMCBKIMMCV-AWEZNQCLSA-N 0 3 287.407 2.438 20 30 CEEDHN C=CCN(C)C(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000429332729 377514003 /nfs/dbraw/zinc/51/40/03/377514003.db2.gz UBTZPWRNSYSBLO-UHFFFAOYSA-N 0 3 291.399 2.108 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@H]1C[C@@H](OC)C1(CC)CC ZINC000429311328 377514906 /nfs/dbraw/zinc/51/49/06/377514906.db2.gz QUHVETWGTAHCEN-LSDHHAIUSA-N 0 3 294.439 2.370 20 30 CEEDHN C[C@H](N[C@H](CO)CC(F)F)c1ccc(C#N)cc1 ZINC000429463123 377515039 /nfs/dbraw/zinc/51/50/39/377515039.db2.gz SKQWFGSKSUBXKP-CABZTGNLSA-N 0 3 254.280 2.225 20 30 CEEDHN C=C(C)CN1CCC(Nc2cccc(C#N)n2)CC1 ZINC000265512654 190187494 /nfs/dbraw/zinc/18/74/94/190187494.db2.gz KOMFVFOXUGLGCP-UHFFFAOYSA-N 0 3 256.353 2.406 20 30 CEEDHN C=C(Cl)CNC(=O)NCc1cccc(CN(C)C)c1 ZINC000265602911 190193239 /nfs/dbraw/zinc/19/32/39/190193239.db2.gz XTDTYJVJIITCCB-UHFFFAOYSA-N 0 3 281.787 2.300 20 30 CEEDHN CC[C@@H](C)NC(=O)CCNCc1cc(C#N)cs1 ZINC000093492400 249310647 /nfs/dbraw/zinc/31/06/47/249310647.db2.gz GZUGHLULAMCLCA-SNVBAGLBSA-N 0 3 265.382 2.014 20 30 CEEDHN C[C@@H](CC#N)N(C)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000431852979 377677391 /nfs/dbraw/zinc/67/73/91/377677391.db2.gz ZRGSZJJYOMNPOY-ZFWWWQNUSA-N 0 3 273.380 2.440 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000433130716 377779512 /nfs/dbraw/zinc/77/95/12/377779512.db2.gz SJXNIRCPOZOILF-LSDHHAIUSA-N 0 3 272.348 2.054 20 30 CEEDHN COC[C@@H](NCc1ccc(C#N)c(C)c1)[C@H]1CCCO1 ZINC000433209857 377781398 /nfs/dbraw/zinc/78/13/98/377781398.db2.gz SXZCQOGNQDMLQX-HZPDHXFCSA-N 0 3 274.364 2.150 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000432364260 377753442 /nfs/dbraw/zinc/75/34/42/377753442.db2.gz GRRCJHQZBQAYHD-CHWSQXEVSA-N 0 3 267.417 2.371 20 30 CEEDHN CCOc1ccc([C@@H]2C[C@H]2NC(=O)C(C)C#N)cc1 ZINC000437198747 377839827 /nfs/dbraw/zinc/83/98/27/377839827.db2.gz AVPCSOUICQPGEF-LEWSCRJBSA-N 0 3 258.321 2.217 20 30 CEEDHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1cc(C#N)ccn1 ZINC000436005841 377816801 /nfs/dbraw/zinc/81/68/01/377816801.db2.gz LYJCSLJQSXNDIN-BMIGLBTASA-N 0 3 295.298 2.120 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CCCOC(C)C ZINC000265896125 190216012 /nfs/dbraw/zinc/21/60/12/190216012.db2.gz STLOOQVUCKQFDL-OAHLLOKOSA-N 0 3 282.428 2.322 20 30 CEEDHN CC[C@H](O)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000433379167 377791702 /nfs/dbraw/zinc/79/17/02/377791702.db2.gz XQRXWQZEORSJHF-GJZGRUSLSA-N 0 3 274.364 2.036 20 30 CEEDHN CN1CCC[C@@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 ZINC000293863102 377794156 /nfs/dbraw/zinc/79/41/56/377794156.db2.gz DUGAFCHJUXJLFP-QGZVFWFLSA-N 0 3 283.375 2.116 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(Cl)cc1 ZINC000294038255 377881219 /nfs/dbraw/zinc/88/12/19/377881219.db2.gz SDFGKLSXBBYODZ-UHFFFAOYSA-N 0 3 264.756 2.025 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC000438181297 377891314 /nfs/dbraw/zinc/89/13/14/377891314.db2.gz UXUVXUNHRQYPIQ-GXTWGEPZSA-N 0 3 274.364 2.065 20 30 CEEDHN N#C[C@H](c1ccccc1)N1CCN(CC[C@H]2CCOC2)CC1 ZINC000437582438 377852632 /nfs/dbraw/zinc/85/26/32/377852632.db2.gz QQADVGGUQOYWAH-FUHWJXTLSA-N 0 3 299.418 2.295 20 30 CEEDHN COCCN(CC[C@H]1CCOC1)Cc1ccc(C#N)cc1 ZINC000437582922 377852862 /nfs/dbraw/zinc/85/28/62/377852862.db2.gz WESYCYUMRCPVKQ-KRWDZBQOSA-N 0 3 288.391 2.433 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H]1CCCC[C@@H]1OC ZINC000441245142 377934201 /nfs/dbraw/zinc/93/42/01/377934201.db2.gz DQFUVEPUKUOAIN-ILXRZTDVSA-N 0 3 280.412 2.123 20 30 CEEDHN Cc1cccc(OC[C@H](O)CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442795516 377997137 /nfs/dbraw/zinc/99/71/37/377997137.db2.gz UIMLVBSRKTUQJS-RRFJBIMHSA-N 0 3 274.364 2.017 20 30 CEEDHN CC#CCN1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000266003680 190222313 /nfs/dbraw/zinc/22/23/13/190222313.db2.gz OVGVQYVPJJEBCF-UHFFFAOYSA-N 0 3 272.348 2.066 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@]1(CO)CCC ZINC000444767021 378079978 /nfs/dbraw/zinc/07/99/78/378079978.db2.gz OFJSHLLOFBWQFI-INIZCTEOSA-N 0 3 282.428 2.038 20 30 CEEDHN CC(C)[C@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000444770978 378080479 /nfs/dbraw/zinc/08/04/79/378080479.db2.gz NEJJRMRZSINYFQ-XJKSGUPXSA-N 0 3 277.412 2.163 20 30 CEEDHN N#C[C@H]1CCC[C@H](NCc2ccnc(-n3cccn3)c2)C1 ZINC000447546212 378115607 /nfs/dbraw/zinc/11/56/07/378115607.db2.gz ZZCFWRLOEBSJMZ-ZFWWWQNUSA-N 0 3 281.363 2.439 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cc(OC)ccc1F ZINC000449696963 378222698 /nfs/dbraw/zinc/22/26/98/378222698.db2.gz JNSNCDSAAWSBRD-LBPRGKRZSA-N 0 3 253.317 2.251 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ncc(CN(C)C)s1 ZINC000449548568 378216296 /nfs/dbraw/zinc/21/62/96/378216296.db2.gz OPFRLKVQMSPKMC-OLZOCXBDSA-N 0 3 281.425 2.028 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc2c1OCCCO2 ZINC000449523790 378216654 /nfs/dbraw/zinc/21/66/54/378216654.db2.gz YOMBOWYJLOZWIR-KGLIPLIRSA-N 0 3 275.348 2.281 20 30 CEEDHN C=CC[C@@H](C)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447960578 378164437 /nfs/dbraw/zinc/16/44/37/378164437.db2.gz AKBPRSWFHAZJHP-OLZOCXBDSA-N 0 3 267.417 2.371 20 30 CEEDHN Cc1nsc(NC2C[C@H]3CC[C@@H](C2)N3C)c1C#N ZINC000295488886 378179628 /nfs/dbraw/zinc/17/96/28/378179628.db2.gz AITXRSXUQXIIFV-FGWVZKOKSA-N 0 3 262.382 2.360 20 30 CEEDHN CCN1CCC[C@@H]1CNc1nc2ccccn2c1C#N ZINC000296283282 378477015 /nfs/dbraw/zinc/47/70/15/378477015.db2.gz HJZGQLOFSOEFOY-GFCCVEGCSA-N 0 3 269.352 2.102 20 30 CEEDHN N#Cc1cccc(CN[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000346799792 218017519 /nfs/dbraw/zinc/01/75/19/218017519.db2.gz ZTBWKNMFGDJOBO-KRWDZBQOSA-N 0 3 284.334 2.391 20 30 CEEDHN C[C@H](NC[C@@]1(C)CCC(=O)N1)c1ccc(C#N)c(F)c1 ZINC000453407039 378893011 /nfs/dbraw/zinc/89/30/11/378893011.db2.gz GGXRDFMLXXOCPP-ZUZCIYMTSA-N 0 3 275.327 2.017 20 30 CEEDHN CCC[C@]1(NCC(=O)Nc2ccc(C#N)cc2)CCOC1 ZINC000352832050 220264737 /nfs/dbraw/zinc/26/47/37/220264737.db2.gz NWZZKCUAGYLDCA-INIZCTEOSA-N 0 3 287.363 2.046 20 30 CEEDHN CCC[C@H](C#N)NC(=O)CCN1CCc2ccccc2C1 ZINC000514847927 379156650 /nfs/dbraw/zinc/15/66/50/379156650.db2.gz FSXBBUBYLVAWKQ-MRXNPFEDSA-N 0 3 285.391 2.243 20 30 CEEDHN C[C@H]1CCCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000517147175 379344842 /nfs/dbraw/zinc/34/48/42/379344842.db2.gz XTKFBZCJUSNLSB-LBPRGKRZSA-N 0 3 269.352 2.365 20 30 CEEDHN N#CCC[C@@H](C#N)CNc1cccc(CN2CC[C@H](O)C2)c1 ZINC000517269432 379354420 /nfs/dbraw/zinc/35/44/20/379354420.db2.gz OFUFAQXAHNEYIM-RDJZCZTQSA-N 0 3 298.390 2.109 20 30 CEEDHN C[C@@]1(NCc2ccc(C#N)cn2)CCO[C@@H]1C1CC1 ZINC000517387545 379360917 /nfs/dbraw/zinc/36/09/17/379360917.db2.gz JQLSHOSCSVWCLK-HUUCEWRRSA-N 0 3 257.337 2.000 20 30 CEEDHN CC(=O)c1cc(NC(=O)[C@@H](N)CCCC#N)ccc1C ZINC000520428404 379467982 /nfs/dbraw/zinc/46/79/82/379467982.db2.gz TXPHIWLQAJHTRI-AWEZNQCLSA-N 0 3 273.336 2.157 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000520508072 379478910 /nfs/dbraw/zinc/47/89/10/379478910.db2.gz ILXYWQPTORTXCK-BMFZPTHFSA-N 0 3 294.439 2.204 20 30 CEEDHN C#CCN(Cc1cccc(OC)c1)C1CCC(O)CC1 ZINC000303370706 379494886 /nfs/dbraw/zinc/49/48/86/379494886.db2.gz KMLGZGANDRKSEN-UHFFFAOYSA-N 0 3 273.376 2.434 20 30 CEEDHN N#Cc1ccc2ncc(CNCC3(O)CCCCCC3)n2c1 ZINC000304275099 379543445 /nfs/dbraw/zinc/54/34/45/379543445.db2.gz XOTLPIJXQKNVLU-UHFFFAOYSA-N 0 3 298.390 2.381 20 30 CEEDHN CC(C)N(Cc1ccc(F)c(C#N)c1)C[C@H](C)O ZINC000305065017 379617529 /nfs/dbraw/zinc/61/75/29/379617529.db2.gz REUZZPTVKFRFAI-NSHDSACASA-N 0 3 250.317 2.289 20 30 CEEDHN CC(C)(C)OCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000525921326 379680419 /nfs/dbraw/zinc/68/04/19/379680419.db2.gz OEULPDLHKNDMFJ-HNNXBMFYSA-N 0 3 299.374 2.172 20 30 CEEDHN COc1ccc(CN2CCC[C@H](C)[C@@H]2CO)cc1C#N ZINC000305708843 379736146 /nfs/dbraw/zinc/73/61/46/379736146.db2.gz DPEHWDWPNLIKNX-WFASDCNBSA-N 0 3 274.364 2.160 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N(C)C[C@@H]1CC=CCC1 ZINC000527299450 379744811 /nfs/dbraw/zinc/74/48/11/379744811.db2.gz DFPBQBYTQOOUSX-UONOGXRCSA-N 0 3 275.396 2.225 20 30 CEEDHN C=CCNc1ccccc1CN1CCC(CO)CC1 ZINC000267271911 190316973 /nfs/dbraw/zinc/31/69/73/190316973.db2.gz MOIFRMGNMVBQKK-UHFFFAOYSA-N 0 3 260.381 2.489 20 30 CEEDHN CC(C)(CNCc1ccc(C#N)cc1)C(=O)N1CCCC1 ZINC000527812531 379823858 /nfs/dbraw/zinc/82/38/58/379823858.db2.gz VLMWVJSUTQFANS-UHFFFAOYSA-N 0 3 285.391 2.296 20 30 CEEDHN CC[C@@H]1CCCN1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528372927 379950225 /nfs/dbraw/zinc/95/02/25/379950225.db2.gz PXRFNJJPBSCDTL-CQSZACIVSA-N 0 3 296.370 2.160 20 30 CEEDHN CCC(C#N)(CC)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000528653105 380042096 /nfs/dbraw/zinc/04/20/96/380042096.db2.gz VRSWUJDIEWMEPC-CHWSQXEVSA-N 0 3 265.401 2.257 20 30 CEEDHN N#CC(C(=O)c1cnn(C2CC2)c1)c1ccccn1 ZINC000528922344 380136177 /nfs/dbraw/zinc/13/61/77/380136177.db2.gz WCWHQJLSAXKWHU-LBPRGKRZSA-N 0 3 252.277 2.103 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2cnn(C3CC3)c2)nc(C)n1 ZINC000528921528 380136601 /nfs/dbraw/zinc/13/66/01/380136601.db2.gz ZMIIJIRRDNQSRP-CYBMUJFWSA-N 0 3 281.319 2.115 20 30 CEEDHN C=CCCCCCN1CC[C@H](NC(=O)NC2CC2)C1 ZINC000488276205 380092001 /nfs/dbraw/zinc/09/20/01/380092001.db2.gz CXQITGLCCZYSOS-AWEZNQCLSA-N 0 3 265.401 2.269 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530022047 380192728 /nfs/dbraw/zinc/19/27/28/380192728.db2.gz HIAWOTPMTVJYJM-ZDUSSCGKSA-N 0 3 250.386 2.332 20 30 CEEDHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2cc(C#N)cs2)C1 ZINC000531355957 380207746 /nfs/dbraw/zinc/20/77/46/380207746.db2.gz AWILIIKLSDXASC-DGCLKSJQSA-N 0 3 298.433 2.065 20 30 CEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C1(C#N)CC(C)C1 ZINC000532064957 380211819 /nfs/dbraw/zinc/21/18/19/380211819.db2.gz MOZRILBLNXSMFT-PGOFDVKTSA-N 0 3 277.412 2.163 20 30 CEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(C#N)CC(C)C1 ZINC000532065552 380211858 /nfs/dbraw/zinc/21/18/58/380211858.db2.gz CWZCVHYPTYJUJJ-XDFMGDNLSA-N 0 3 291.439 2.409 20 30 CEEDHN C=CCCOCCCCC(=O)NC[C@@H]1CCCN(C)C1 ZINC000537193297 380238917 /nfs/dbraw/zinc/23/89/17/380238917.db2.gz AMZGGZYFWFKDCB-HNNXBMFYSA-N 0 3 282.428 2.207 20 30 CEEDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000334345517 380277490 /nfs/dbraw/zinc/27/74/90/380277490.db2.gz USWZCZHJODCBJV-LLVKDONJSA-N 0 3 290.342 2.255 20 30 CEEDHN C=CCCN1CC[C@H](OCc2c(C)noc2C)C1 ZINC000545173059 380373354 /nfs/dbraw/zinc/37/33/54/380373354.db2.gz VFORUVSGYZFGDM-ZDUSSCGKSA-N 0 3 250.342 2.458 20 30 CEEDHN CC[C@@H](C(=O)N(CCC#N)C(C)C)N(CC)CC ZINC000545188771 380374130 /nfs/dbraw/zinc/37/41/30/380374130.db2.gz VTJSTPOSCICRLN-ZDUSSCGKSA-N 0 3 253.390 2.257 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000334473466 380461689 /nfs/dbraw/zinc/46/16/89/380461689.db2.gz LGLPIOBTLCNCQR-PWSUYJOCSA-N 0 3 277.755 2.195 20 30 CEEDHN CO[C@H]1CCN(Cc2cc(C#N)cs2)C[C@@H]1C ZINC000334737690 206990979 /nfs/dbraw/zinc/99/09/79/206990979.db2.gz FIQSACPTLPAVBT-GWCFXTLKSA-N 0 3 250.367 2.477 20 30 CEEDHN CC[C@H]1CN(C)CCN1Cc1ccc(OC)c(C#N)c1 ZINC000552132998 380687902 /nfs/dbraw/zinc/68/79/02/380687902.db2.gz SGPCOLYWNFQUOW-HNNXBMFYSA-N 0 3 273.380 2.093 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@](C)(OC)C1 ZINC000279206554 194332645 /nfs/dbraw/zinc/33/26/45/194332645.db2.gz BINLBTIDYCCYIL-GOEBONIOSA-N 0 3 280.412 2.076 20 30 CEEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)COCC ZINC000279302050 194376899 /nfs/dbraw/zinc/37/68/99/194376899.db2.gz MHDYSGMVVYCZCF-INIZCTEOSA-N 0 3 263.381 2.462 20 30 CEEDHN C[C@@H](NCc1cc(C#N)n(C)c1)[C@@H](O)c1ccccc1 ZINC000288656547 197138285 /nfs/dbraw/zinc/13/82/85/197138285.db2.gz VLMWVPFMWAGQHP-MLGOLLRUSA-N 0 3 269.348 2.108 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C\c2ccncc2C)CC1 ZINC000493802223 381146450 /nfs/dbraw/zinc/14/64/50/381146450.db2.gz IWMOFHCTIFUYQB-PLNGDYQASA-N 0 3 285.391 2.170 20 30 CEEDHN C[C@H](N[C@@]1(C)CCO[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000494255577 381156961 /nfs/dbraw/zinc/15/69/61/381156961.db2.gz BPKCTWGHEDZSPT-MKBNYLNASA-N 0 3 287.363 2.042 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2C=C)CC1 ZINC000494869672 381163310 /nfs/dbraw/zinc/16/33/10/381163310.db2.gz FAVNNEBBLBQINS-OAHLLOKOSA-N 0 3 277.412 2.387 20 30 CEEDHN CC(C#N)C(=O)NCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000495523182 381175390 /nfs/dbraw/zinc/17/53/90/381175390.db2.gz CCYCUEJMPLLJPI-NWDGAFQWSA-N 0 3 295.383 2.052 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C ZINC000495691676 381182184 /nfs/dbraw/zinc/18/21/84/381182184.db2.gz CFHQLWRDFQGEST-NWDGAFQWSA-N 0 3 297.399 2.346 20 30 CEEDHN N#Cc1ccc(NC(=O)C23CCCN2CCC3)cc1F ZINC000334858501 207198643 /nfs/dbraw/zinc/19/86/43/207198643.db2.gz BZXWLHOZWMZXNR-UHFFFAOYSA-N 0 3 273.311 2.264 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000335251881 208029974 /nfs/dbraw/zinc/02/99/74/208029974.db2.gz WKPDHNRCEWXMAI-QWRGUYRKSA-N 0 3 272.352 2.081 20 30 CEEDHN CCN1CCN(Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC000289264681 197279601 /nfs/dbraw/zinc/27/96/01/197279601.db2.gz FXJDUZSOJALNAI-CYBMUJFWSA-N 0 3 273.380 2.093 20 30 CEEDHN CC(C#N)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000334672857 533112401 /nfs/dbraw/zinc/11/24/01/533112401.db2.gz QNRUCOPBCOSEON-LBPRGKRZSA-N 0 3 291.782 2.144 20 30 CEEDHN C[C@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(C#N)cc1 ZINC000281299726 195187180 /nfs/dbraw/zinc/18/71/80/195187180.db2.gz YOAARNZYVLEHLJ-LBPRGKRZSA-N 0 3 292.404 2.176 20 30 CEEDHN CO[C@@H]1CCN(CCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC000281582104 195295965 /nfs/dbraw/zinc/29/59/65/195295965.db2.gz DJXLETVMPZGDGT-CZUORRHYSA-N 0 3 274.364 2.436 20 30 CEEDHN CO[C@H]1CCN(CCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC000281582100 195296962 /nfs/dbraw/zinc/29/69/62/195296962.db2.gz DJXLETVMPZGDGT-CJNGLKHVSA-N 0 3 274.364 2.436 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccon1 ZINC000348438034 533236706 /nfs/dbraw/zinc/23/67/06/533236706.db2.gz FATLSTNTKSAVAR-BXUZGUMPSA-N 0 3 294.314 2.106 20 30 CEEDHN CO[C@](C)([C@@H](C)NCc1cnc2ccc(C#N)cn12)C1CC1 ZINC000414504385 533347437 /nfs/dbraw/zinc/34/74/37/533347437.db2.gz SJZUGXOBCQGMON-SJKOYZFVSA-N 0 3 298.390 2.499 20 30 CEEDHN COc1cc(C)c(CN(C)C(=O)C(C)C#N)cc1OC ZINC000347062059 533568658 /nfs/dbraw/zinc/56/86/58/533568658.db2.gz GBOPXQIYLFMAJZ-NSHDSACASA-N 0 3 276.336 2.130 20 30 CEEDHN COc1cc(C)c([C@@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347075455 533606216 /nfs/dbraw/zinc/60/62/16/533606216.db2.gz SDJQUESVAOQDDY-GHMZBOCLSA-N 0 3 276.336 2.349 20 30 CEEDHN CC#CCN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192111612 130374077 /nfs/dbraw/zinc/37/40/77/130374077.db2.gz WZTQHSGDSUIBDL-KBPBESRZSA-N 0 3 251.276 2.408 20 30 CEEDHN Cn1nccc1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000263890457 131354619 /nfs/dbraw/zinc/35/46/19/131354619.db2.gz LZAKIQARTAWNMI-UHFFFAOYSA-N 0 3 295.390 2.050 20 30 CEEDHN N#Cc1ccc(CNCCCCn2ccnc2)c(F)c1 ZINC000045107270 394508912 /nfs/dbraw/zinc/50/89/12/394508912.db2.gz JXCHPMDHSCYUII-UHFFFAOYSA-N 0 3 272.327 2.464 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000329906608 394592851 /nfs/dbraw/zinc/59/28/51/394592851.db2.gz KFRFXVCMMLSBJS-IXDOHACOSA-N 0 3 293.370 2.499 20 30 CEEDHN O=C(NCCc1csc(=O)[nH]1)[C@H](C1CC1)N1CCCC1 ZINC000329513437 394568684 /nfs/dbraw/zinc/56/86/84/394568684.db2.gz NVELPMHNKLECEH-LBPRGKRZSA-N 0 3 295.408 2.222 20 30 CEEDHN O=C(N[C@@H]1CCN2CCCC[C@H]12)c1snnc1C1CC1 ZINC000329600683 394575700 /nfs/dbraw/zinc/57/57/00/394575700.db2.gz DZQSIERFVXHDJD-GHMZBOCLSA-N 0 3 292.408 2.347 20 30 CEEDHN Cc1nccnc1CCNCc1ccc(C#N)c(F)c1 ZINC000421385063 394521053 /nfs/dbraw/zinc/52/10/53/394521053.db2.gz PNKHKCYVSYYOPO-UHFFFAOYSA-N 0 3 270.311 2.128 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000334209776 394664842 /nfs/dbraw/zinc/66/48/42/394664842.db2.gz YCIYUVMUHLTMRL-VHSXEESVSA-N 0 3 295.745 2.334 20 30 CEEDHN Cc1cnc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)o1 ZINC000330023237 394599065 /nfs/dbraw/zinc/59/90/65/394599065.db2.gz IIDIIWRDAFBQBM-GFCCVEGCSA-N 0 3 278.356 2.089 20 30 CEEDHN CCN1CCC[C@H](NC(=O)c2cc(C)nc(OC)c2)C1 ZINC000330376099 394602614 /nfs/dbraw/zinc/60/26/14/394602614.db2.gz HKQHBJFCRISLMB-ZDUSSCGKSA-N 0 3 277.368 2.188 20 30 CEEDHN CC1CCN(C[C@H](O)CNC(=O)c2ccccc2F)CC1 ZINC000330381264 394603423 /nfs/dbraw/zinc/60/34/23/394603423.db2.gz VTRCDNBVPOPSDB-CYBMUJFWSA-N 0 3 294.370 2.223 20 30 CEEDHN CCC(C)(C)[NH+]=C([O-])NCCCn1ccnc1C ZINC000330458796 394612935 /nfs/dbraw/zinc/61/29/35/394612935.db2.gz ZEPRMCQVUYPFRM-UHFFFAOYSA-N 0 3 252.362 2.274 20 30 CEEDHN COc1ccc(CN2CCC[C@@H]([C@H](C)O)C2)cc1C#N ZINC000089931867 394651750 /nfs/dbraw/zinc/65/17/50/394651750.db2.gz DZZRXTZJYCDCHR-GXTWGEPZSA-N 0 3 274.364 2.160 20 30 CEEDHN C=CCSCCN[C@H]1CCCc2nn(C)cc21 ZINC000358968089 394735518 /nfs/dbraw/zinc/73/55/18/394735518.db2.gz QSRQYFAAOUODQY-LBPRGKRZSA-N 0 3 251.399 2.306 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000335143568 394743091 /nfs/dbraw/zinc/74/30/91/394743091.db2.gz XOWRSDMLNMDGES-YPMHNXCESA-N 0 3 260.312 2.376 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000335156623 394744116 /nfs/dbraw/zinc/74/41/16/394744116.db2.gz PFTGLBLWYOZCNZ-CVEARBPZSA-N 0 3 292.423 2.054 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000334343987 394676262 /nfs/dbraw/zinc/67/62/62/394676262.db2.gz RWFFSBOIQVTACF-STQMWFEESA-N 0 3 286.379 2.085 20 30 CEEDHN C[C@@H]1CCCN(CCNc2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000268520005 394696039 /nfs/dbraw/zinc/69/60/39/394696039.db2.gz USPFENIKNHACIR-LLVKDONJSA-N 0 3 289.339 2.005 20 30 CEEDHN Cc1nccn1CCCON=C(N)C1CCCC1 ZINC000271224350 394752783 /nfs/dbraw/zinc/75/27/83/394752783.db2.gz QGYOXYSLHINXDC-UHFFFAOYSA-N 0 3 250.346 2.061 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1sccc1C#N ZINC000115438683 394754697 /nfs/dbraw/zinc/75/46/97/394754697.db2.gz WEMHFIMRWVBGDY-NSHDSACASA-N 0 3 277.393 2.034 20 30 CEEDHN C=CCC1(C(=O)N(C)CCN2CCCC2)CCC1 ZINC000359597602 394763678 /nfs/dbraw/zinc/76/36/78/394763678.db2.gz ADLIMKNLWTYKHU-UHFFFAOYSA-N 0 3 250.386 2.287 20 30 CEEDHN OC[C@@H](NCC#Cc1ccc(Cl)cc1)C1CCOCC1 ZINC000359874101 394779086 /nfs/dbraw/zinc/77/90/86/394779086.db2.gz MCPDEJSBEPCKRM-MRXNPFEDSA-N 0 3 293.794 2.069 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)CCCC#N ZINC000360176331 394791901 /nfs/dbraw/zinc/79/19/01/394791901.db2.gz VLFLVCLMDDEWPK-STQMWFEESA-N 0 3 251.374 2.059 20 30 CEEDHN C=CCC[C@@H](O)CN(CC)C[C@H]1COc2ccccc2O1 ZINC000121154901 394792625 /nfs/dbraw/zinc/79/26/25/394792625.db2.gz MJXIRKHMDHCTHQ-CABCVRRESA-N 0 3 291.391 2.475 20 30 CEEDHN N#C[C@H]1CC[C@H](N2CCC(CC(=O)N3CCCC3)CC2)C1 ZINC000335903310 394809828 /nfs/dbraw/zinc/80/98/28/394809828.db2.gz OQNKOTZTZWQZDH-HOTGVXAUSA-N 0 3 289.423 2.403 20 30 CEEDHN N#C[C@@H]1CC[C@H](Nc2cccc(CN3CC[C@H](O)C3)c2)C1 ZINC000361081610 394815047 /nfs/dbraw/zinc/81/50/47/394815047.db2.gz MWGWLXCCBOHKGO-COXVUDFISA-N 0 3 285.391 2.357 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCCC[C@@H](C)C1 ZINC000336052668 394821922 /nfs/dbraw/zinc/82/19/22/394821922.db2.gz XEUPMAWBHFYGTD-OLZOCXBDSA-N 0 3 263.385 2.059 20 30 CEEDHN COC(=O)[C@]1(C)CN(Cc2ccccc2C#N)C[C@H]1C ZINC000281935221 394879932 /nfs/dbraw/zinc/87/99/32/394879932.db2.gz BDSBMVZRGRLIBF-MLGOLLRUSA-N 0 3 272.348 2.189 20 30 CEEDHN C=CC1CCN(Cc2cc(=O)n3cc(C)ccc3n2)CC1 ZINC000336345565 394845715 /nfs/dbraw/zinc/84/57/15/394845715.db2.gz OYWDQMBUZCGLCK-UHFFFAOYSA-N 0 3 283.375 2.401 20 30 CEEDHN CC(C)[C@H](CO)NCC#Cc1cccc(Cl)c1 ZINC000362191977 394848756 /nfs/dbraw/zinc/84/87/56/394848756.db2.gz SCHXENSNLNJVSY-AWEZNQCLSA-N 0 3 251.757 2.298 20 30 CEEDHN C=C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000362378094 394857428 /nfs/dbraw/zinc/85/74/28/394857428.db2.gz BKTOYSUYRRPNBO-DZGCQCFKSA-N 0 3 273.380 2.135 20 30 CEEDHN C=CCN1CC[C@@H](N(C)[C@@H]2CCc3ccccc32)C1=O ZINC000281992225 394891912 /nfs/dbraw/zinc/89/19/12/394891912.db2.gz MWTUKYZMNVVNOK-HZPDHXFCSA-N 0 3 270.376 2.393 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)NCC(C)C ZINC000285134423 394953616 /nfs/dbraw/zinc/95/36/16/394953616.db2.gz OCVHGACLCBIQFE-WBVHZDCISA-N 0 3 286.419 2.371 20 30 CEEDHN C#CCNC(=O)[C@H](C)[N@H+](CCCC)Cc1ccccc1[O-] ZINC000282400706 394918859 /nfs/dbraw/zinc/91/88/59/394918859.db2.gz HSHULZKNQRKPNK-AWEZNQCLSA-N 0 3 288.391 2.132 20 30 CEEDHN C#CCNC(=O)[C@H](C)[N@@H+](CCCC)Cc1ccccc1[O-] ZINC000282400706 394918862 /nfs/dbraw/zinc/91/88/62/394918862.db2.gz HSHULZKNQRKPNK-AWEZNQCLSA-N 0 3 288.391 2.132 20 30 CEEDHN C=CCOCCN1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000338928367 394933055 /nfs/dbraw/zinc/93/30/55/394933055.db2.gz KBVLHBZLZGZYGO-UHFFFAOYSA-N 0 3 294.439 2.160 20 30 CEEDHN CCN(CC)C(=O)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000338941641 394933456 /nfs/dbraw/zinc/93/34/56/394933456.db2.gz KJYSDDNYAOXVMU-UKRRQHHQSA-N 0 3 277.412 2.259 20 30 CEEDHN C=CCOCCN1CCN(Cc2ccccc2)C[C@@H]1C ZINC000338994665 394935252 /nfs/dbraw/zinc/93/52/52/394935252.db2.gz HNOSFRNFBUYPKM-INIZCTEOSA-N 0 3 274.408 2.395 20 30 CEEDHN CN(C(=O)c1c(F)cc(C#N)cc1F)C1CCN(C)CC1 ZINC000132737630 394936914 /nfs/dbraw/zinc/93/69/14/394936914.db2.gz SGFWXHDRCVPPHM-UHFFFAOYSA-N 0 3 293.317 2.003 20 30 CEEDHN Cn1cc([C@H](NCCOCCC#N)C(C)(C)C)cn1 ZINC000339077501 394940199 /nfs/dbraw/zinc/94/01/99/394940199.db2.gz QGQQVOAVPQEDIL-ZDUSSCGKSA-N 0 3 264.373 2.027 20 30 CEEDHN Cn1cc([C@@H](NCCOCCC#N)C(C)(C)C)cn1 ZINC000339077500 394941028 /nfs/dbraw/zinc/94/10/28/394941028.db2.gz QGQQVOAVPQEDIL-CYBMUJFWSA-N 0 3 264.373 2.027 20 30 CEEDHN C=CCOCCN(C)[C@H](COC)Cc1ccccc1 ZINC000339120785 394943996 /nfs/dbraw/zinc/94/39/96/394943996.db2.gz RULMILSEQQBFPF-INIZCTEOSA-N 0 3 263.381 2.379 20 30 CEEDHN N#CCCOCCN[C@H]1CCCc2c(O)cccc21 ZINC000339128802 394944984 /nfs/dbraw/zinc/94/49/84/394944984.db2.gz RDIVGDUVQXIRKC-AWEZNQCLSA-N 0 3 260.337 2.289 20 30 CEEDHN N#CCCOCCN1CC[C@@H](CC(F)(F)F)C1 ZINC000339127523 394945072 /nfs/dbraw/zinc/94/50/72/394945072.db2.gz HFLMNQBDEFERJM-JTQLQIEISA-N 0 3 250.264 2.191 20 30 CEEDHN C=CCc1ccccc1OC[C@H](O)CN(C)CCSC ZINC000152437286 394997334 /nfs/dbraw/zinc/99/73/34/394997334.db2.gz PQIFJPANAFSNRU-OAHLLOKOSA-N 0 3 295.448 2.450 20 30 CEEDHN C=CCOc1ccc(CN[C@H](C)[C@H](CO)SC)cc1 ZINC000152420662 394997344 /nfs/dbraw/zinc/99/73/44/394997344.db2.gz ABUNLNDGZMNXOE-DOMZBBRYSA-N 0 3 281.421 2.453 20 30 CEEDHN C=C[C@@H](C)NC(=O)CCN1CCc2ccccc2C1 ZINC000416187128 395029291 /nfs/dbraw/zinc/02/92/91/395029291.db2.gz DIOOKCQLZKGSDJ-CYBMUJFWSA-N 0 3 258.365 2.126 20 30 CEEDHN CCN1CCN(CCCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000286569033 395025267 /nfs/dbraw/zinc/02/52/67/395025267.db2.gz PNQLPCPEMAFNRX-HNNXBMFYSA-N 0 3 287.407 2.353 20 30 CEEDHN C#CCN(CCc1cnn(C)c1)Cc1ccccc1 ZINC000285762648 394963000 /nfs/dbraw/zinc/96/30/00/394963000.db2.gz RPHCTKSLWIMIGC-UHFFFAOYSA-N 0 3 253.349 2.098 20 30 CEEDHN CC#CCN(C)CCCOc1ccc2c(c1)OCO2 ZINC000339758898 394969437 /nfs/dbraw/zinc/96/94/37/394969437.db2.gz IPLPWOFETQTOTR-UHFFFAOYSA-N 0 3 261.321 2.139 20 30 CEEDHN CCCN(CC(=O)Nc1ccccc1C)C(=O)C(C)C#N ZINC000339912886 394974531 /nfs/dbraw/zinc/97/45/31/394974531.db2.gz XYIOWBAEWJZVIW-ZDUSSCGKSA-N 0 3 287.363 2.332 20 30 CEEDHN C#Cc1ccc(CNC[C@@H]2CN3CCCC[C@@H]3CO2)cc1 ZINC000368028286 394975792 /nfs/dbraw/zinc/97/57/92/394975792.db2.gz CMFMDSHPMHDACD-QZTJIDSGSA-N 0 3 284.403 2.011 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)CCC1 ZINC000372776099 395046686 /nfs/dbraw/zinc/04/66/86/395046686.db2.gz KWFYUKMGLLZNDS-UONOGXRCSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCC1(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCC1 ZINC000372802073 395047435 /nfs/dbraw/zinc/04/74/35/395047435.db2.gz XDYMVQGSFZWKRP-OAHLLOKOSA-N 0 3 292.423 2.102 20 30 CEEDHN C#CCCCC(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000372939848 395050186 /nfs/dbraw/zinc/05/01/86/395050186.db2.gz IQHHEFRBWFGIGX-JKSUJKDBSA-N 0 3 270.376 2.004 20 30 CEEDHN CN(C)C1(CNC(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000416309200 395052451 /nfs/dbraw/zinc/05/24/51/395052451.db2.gz UTMLXJJCTUXESG-UHFFFAOYSA-N 0 3 277.755 2.036 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@@H](C(=O)OC)C2)cc1 ZINC000289089497 395070135 /nfs/dbraw/zinc/07/01/35/395070135.db2.gz LEHCDDMWHLZVGN-OAHLLOKOSA-N 0 3 257.333 2.053 20 30 CEEDHN C#C[C@H](C)N[C@@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000289079083 395070570 /nfs/dbraw/zinc/07/05/70/395070570.db2.gz ASBSNAYVKNKKAK-RYUDHWBXSA-N 0 3 290.363 2.032 20 30 CEEDHN C#C[C@H](C)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289369348 395075525 /nfs/dbraw/zinc/07/55/25/395075525.db2.gz LGHLJWOHZVNOKF-NSHDSACASA-N 0 3 284.319 2.107 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H]2CCC[C@H]21 ZINC000426475311 395076006 /nfs/dbraw/zinc/07/60/06/395076006.db2.gz XWFHYYLTHFOZMN-UONOGXRCSA-N 0 3 250.386 2.285 20 30 CEEDHN CC(C#N)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345809691 395078364 /nfs/dbraw/zinc/07/83/64/395078364.db2.gz UKJQZRUEARKKMW-VIFPVBQESA-N 0 3 261.281 2.106 20 30 CEEDHN CC(C#N)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345809690 395078377 /nfs/dbraw/zinc/07/83/77/395078377.db2.gz UKJQZRUEARKKMW-SECBINFHSA-N 0 3 261.281 2.106 20 30 CEEDHN CC(C)[C@H](CNC(=O)C(C)C#N)Nc1ccccc1 ZINC000345855299 395081007 /nfs/dbraw/zinc/08/10/07/395081007.db2.gz WZXVBWRHXWXBCG-OCCSQVGLSA-N 0 3 259.353 2.399 20 30 CEEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000289614728 395081952 /nfs/dbraw/zinc/08/19/52/395081952.db2.gz DGJUWYWITZDMEA-GXTWGEPZSA-N 0 3 257.337 2.070 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2(SC)CCC2)CC1 ZINC000345919602 395082141 /nfs/dbraw/zinc/08/21/41/395082141.db2.gz BSOZBZKAQSICCL-UHFFFAOYSA-N 0 3 282.453 2.429 20 30 CEEDHN C#C[C@@H](NCc1ccc(OCCOC)cc1)C(C)C ZINC000289648136 395082966 /nfs/dbraw/zinc/08/29/66/395082966.db2.gz XYQPRJGXGPMERU-MRXNPFEDSA-N 0 3 261.365 2.459 20 30 CEEDHN N#CC(C(=O)c1ccc2c(c1)CCCC2=O)c1ccncn1 ZINC000345993550 395084569 /nfs/dbraw/zinc/08/45/69/395084569.db2.gz OBJZVLAPCLKXJH-CQSZACIVSA-N 0 3 291.310 2.486 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NCc2ccnc(-n3ccnc3)c2)C1 ZINC000375876419 395102575 /nfs/dbraw/zinc/10/25/75/395102575.db2.gz QKYRBQZXQPCHMY-HIFRSBDPSA-N 0 3 281.363 2.439 20 30 CEEDHN C=CCC[C@H](O)CN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346209888 395091044 /nfs/dbraw/zinc/09/10/44/395091044.db2.gz OEKRYHGVRGRWAP-OLZOCXBDSA-N 0 3 277.368 2.063 20 30 CEEDHN C=CCOCCCC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346195547 395091246 /nfs/dbraw/zinc/09/12/46/395091246.db2.gz QCNZUXXKWCTMRP-OWCLPIDISA-N 0 3 294.439 2.158 20 30 CEEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OC)c(OC)c1C ZINC000289940943 395091304 /nfs/dbraw/zinc/09/13/04/395091304.db2.gz VXGODFRJAWZYRL-VXGBXAGGSA-N 0 3 265.353 2.210 20 30 CEEDHN CC[C@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346247428 395092867 /nfs/dbraw/zinc/09/28/67/395092867.db2.gz GAFVXNNFONBKIU-KBPBESRZSA-N 0 3 277.412 2.449 20 30 CEEDHN CC[C@@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346247434 395093069 /nfs/dbraw/zinc/09/30/69/395093069.db2.gz GAFVXNNFONBKIU-UONOGXRCSA-N 0 3 277.412 2.449 20 30 CEEDHN CC(C)C[C@@H]1CCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346379058 395097374 /nfs/dbraw/zinc/09/73/74/395097374.db2.gz GNUCLSWNKAMQDJ-KGLIPLIRSA-N 0 3 277.412 2.305 20 30 CEEDHN CC(C)[C@@H](CO)NCC#Cc1cccc(Cl)c1 ZINC000156372217 395032215 /nfs/dbraw/zinc/03/22/15/395032215.db2.gz SCHXENSNLNJVSY-CQSZACIVSA-N 0 3 251.757 2.298 20 30 CEEDHN C=C(CNC(=O)NC1CCN(C)CC1)c1ccccc1 ZINC000287258521 395036271 /nfs/dbraw/zinc/03/62/71/395036271.db2.gz UJIZGBXTLHRBNH-UHFFFAOYSA-N 0 3 273.380 2.093 20 30 CEEDHN C#CCCN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000372386872 395041773 /nfs/dbraw/zinc/04/17/73/395041773.db2.gz XOZTYIRXQSESFF-LBPRGKRZSA-N 0 3 291.782 2.409 20 30 CEEDHN C=CCCC(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000346935064 395113858 /nfs/dbraw/zinc/11/38/58/395113858.db2.gz ZTTXSONKMQPEGZ-HNNXBMFYSA-N 0 3 280.412 2.056 20 30 CEEDHN CC[C@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000347018693 395117425 /nfs/dbraw/zinc/11/74/25/395117425.db2.gz VWAYRGWWKOKCDW-AWEZNQCLSA-N 0 3 271.364 2.290 20 30 CEEDHN CC#CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000376540292 395124187 /nfs/dbraw/zinc/12/41/87/395124187.db2.gz PEPIMACDHYDCEW-KRWDZBQOSA-N 0 3 299.418 2.221 20 30 CEEDHN C=C(Br)CN1CC[C@@H](N2CCCC2)[C@H]1C ZINC000376546122 395125220 /nfs/dbraw/zinc/12/52/20/395125220.db2.gz OHPVLUZBVXKAFE-VXGBXAGGSA-N 0 3 273.218 2.454 20 30 CEEDHN C=C(Br)CN1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000376546120 395125324 /nfs/dbraw/zinc/12/53/24/395125324.db2.gz OHPVLUZBVXKAFE-NWDGAFQWSA-N 0 3 273.218 2.454 20 30 CEEDHN N#CCC1(CNCc2cnn(CC(F)(F)F)c2)CC1 ZINC000430051048 395160857 /nfs/dbraw/zinc/16/08/57/395160857.db2.gz COTZFHVQSHNSPB-UHFFFAOYSA-N 0 3 272.274 2.229 20 30 CEEDHN CCc1cnc(CNC(=N)Nc2ccccn2)s1 ZINC000178587701 395170131 /nfs/dbraw/zinc/17/01/31/395170131.db2.gz YUWYTUJOBLDVIM-UHFFFAOYSA-N 0 3 261.354 2.027 20 30 CEEDHN C=C(C)CCN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000351818170 395237042 /nfs/dbraw/zinc/23/70/42/395237042.db2.gz FGIOJYSYTGJQFP-UHFFFAOYSA-N 0 3 260.385 2.375 20 30 CEEDHN C=CCOc1ccc(CN(CC)[C@@H](C)CO)cc1OC ZINC000293535620 395239301 /nfs/dbraw/zinc/23/93/01/395239301.db2.gz CFTLKRUKAMHZRM-ZDUSSCGKSA-N 0 3 279.380 2.463 20 30 CEEDHN C=CCN1CC[C@H](N(CC)[C@@H]2CCOC(C)(C)C2)C1=O ZINC000351920331 395239933 /nfs/dbraw/zinc/23/99/33/395239933.db2.gz ZRXFPQHXBKGHSO-KGLIPLIRSA-N 0 3 280.412 2.053 20 30 CEEDHN CN(CCOc1cccnc1C#N)Cc1ccccc1 ZINC000418978971 395244911 /nfs/dbraw/zinc/24/49/11/395244911.db2.gz MOEQNICCHDREDD-UHFFFAOYSA-N 0 3 267.332 2.464 20 30 CEEDHN C=C(C)CCN1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000352407043 395250261 /nfs/dbraw/zinc/25/02/61/395250261.db2.gz OXPYWPNJSNAQBI-AWEZNQCLSA-N 0 3 265.401 2.030 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CCCCN1CC ZINC000352392149 395250513 /nfs/dbraw/zinc/25/05/13/395250513.db2.gz RVOMLCXIPQWFGK-HOCLYGCPSA-N 0 3 282.428 2.206 20 30 CEEDHN C=C(C)CN(C)C(=O)NCCN1CCCC[C@H]1CC ZINC000181114898 395210449 /nfs/dbraw/zinc/21/04/49/395210449.db2.gz FOQHBQZMRSQFPK-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN CCc1ccc(C#CC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1 ZINC000293103753 395217863 /nfs/dbraw/zinc/21/78/63/395217863.db2.gz GDERAZVHILOBHU-QAPCUYQASA-N 0 3 298.430 2.399 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC(C)(C)CCC#N ZINC000354177635 395319213 /nfs/dbraw/zinc/31/92/13/395319213.db2.gz HVCBOSFOWOOOSP-JSGCOSHPSA-N 0 3 292.427 2.098 20 30 CEEDHN C=CCOCCN(Cc1ccccc1)C[C@@H](O)CC ZINC000293888853 395256738 /nfs/dbraw/zinc/25/67/38/395256738.db2.gz UVWSCDGSZAUKMG-INIZCTEOSA-N 0 3 263.381 2.462 20 30 CEEDHN C=CCCCN(C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185007401 395276886 /nfs/dbraw/zinc/27/68/86/395276886.db2.gz LTBGVYZXBIDQJX-UHFFFAOYSA-N 0 3 260.341 2.473 20 30 CEEDHN CNC(=O)C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442867293 395397779 /nfs/dbraw/zinc/39/77/79/395397779.db2.gz NUFNTQUVMQLAAR-CFVMTHIKSA-N 0 3 271.364 2.146 20 30 CEEDHN CN(CCNc1cncc(C#N)n1)Cc1ccc(F)cc1 ZINC000420601099 395383950 /nfs/dbraw/zinc/38/39/50/395383950.db2.gz NBTDVPYUPZILQN-UHFFFAOYSA-N 0 3 285.326 2.031 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2cccc(CN3CCOCC3)c2)C1 ZINC000442708585 395390929 /nfs/dbraw/zinc/39/09/29/395390929.db2.gz JSXQPONMBWCERU-QAPCUYQASA-N 0 3 299.418 2.301 20 30 CEEDHN CN(C)C(=O)c1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442710795 395392388 /nfs/dbraw/zinc/39/23/88/395392388.db2.gz QRSSXNUXIIMRMR-SWLSCSKDSA-N 0 3 271.364 2.170 20 30 CEEDHN C[C@@H]1[C@H](N[C@H]2CC[C@H](C#N)C2)CC(=O)N1Cc1ccccc1 ZINC000442865722 395396201 /nfs/dbraw/zinc/39/62/01/395396201.db2.gz IYVAHDNPQKCREV-BSWAZPDLSA-N 0 3 297.402 2.458 20 30 CEEDHN COc1cc(CN2CCN(C)C[C@@H]2C(C)C)ccc1C#N ZINC000442846841 395396255 /nfs/dbraw/zinc/39/62/55/395396255.db2.gz KKGCBUXFICSGLH-MRXNPFEDSA-N 0 3 287.407 2.339 20 30 CEEDHN Cc1c(Cl)cnc(N(C)C[C@@H]2CCCN2C)c1C#N ZINC000420637516 395396583 /nfs/dbraw/zinc/39/65/83/395396583.db2.gz OTWIBEPQSLUGPT-NSHDSACASA-N 0 3 278.787 2.446 20 30 CEEDHN C[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)N(C)C1CC1 ZINC000434999033 395342768 /nfs/dbraw/zinc/34/27/68/395342768.db2.gz FCRFIZTWZXHQKH-ZDUSSCGKSA-N 0 3 297.402 2.189 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC(C)(C)C[C@@H]1C ZINC000412050572 395346970 /nfs/dbraw/zinc/34/69/70/395346970.db2.gz YUFHJTYFNPZOJS-OLZOCXBDSA-N 0 3 265.401 2.115 20 30 CEEDHN Cc1ncc2c(n1)CC[C@H](NCc1ccc(C#N)cc1F)C2 ZINC000533311986 395461856 /nfs/dbraw/zinc/46/18/56/395461856.db2.gz TZEGHWUGEWJUMF-HNNXBMFYSA-N 0 3 296.349 2.443 20 30 CEEDHN CC(C)N(CC(=O)N[C@](C)(C#N)C1CC1)CC1CCC1 ZINC000193201887 395404733 /nfs/dbraw/zinc/40/47/33/395404733.db2.gz VKNFYAMDQHLNPS-MRXNPFEDSA-N 0 3 277.412 2.305 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000448812785 395541547 /nfs/dbraw/zinc/54/15/47/395541547.db2.gz OVVHOMLZYSPUDL-GFCCVEGCSA-N 0 3 288.395 2.045 20 30 CEEDHN CCN(C)C(=O)[C@@H](NCc1ccc(C#N)c(C)c1)C(C)C ZINC000449438494 395548858 /nfs/dbraw/zinc/54/88/58/395548858.db2.gz CRVVMZCQDCUELJ-INIZCTEOSA-N 0 3 287.407 2.459 20 30 CEEDHN C=CCOCCN1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000568506593 395563219 /nfs/dbraw/zinc/56/32/19/395563219.db2.gz DARLDSJLTDGEMR-ZIAGYGMSSA-N 0 3 283.412 2.489 20 30 CEEDHN C=C(C)CN1CCC(NC[C@@H](C#N)CCC#N)CC1 ZINC000568741508 395568962 /nfs/dbraw/zinc/56/89/62/395568962.db2.gz VYVZSFPVDVTLQM-CQSZACIVSA-N 0 3 260.385 2.060 20 30 CEEDHN CS[C@@H]1CN(CC2(C#N)CCC2)C[C@H]1N1CCCC1 ZINC000450737294 395575490 /nfs/dbraw/zinc/57/54/90/395575490.db2.gz KXOHTTPSBVTOII-ZIAGYGMSSA-N 0 3 279.453 2.192 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000569308720 395576803 /nfs/dbraw/zinc/57/68/03/395576803.db2.gz ZZWVWAZROBOLPB-TUVASFSCSA-N 0 3 280.412 2.005 20 30 CEEDHN Cc1ccnc(N(C)[C@@H]2CCN(C(C)C)C2)c1C#N ZINC000450952976 395581580 /nfs/dbraw/zinc/58/15/80/395581580.db2.gz JXCRHOGPQOXOKO-CYBMUJFWSA-N 0 3 258.369 2.181 20 30 CEEDHN COC(=O)C(C)(C)CCNCc1ccc(CC#N)cc1 ZINC000570332702 395581708 /nfs/dbraw/zinc/58/17/08/395581708.db2.gz PVFAFKLMBRNVQW-UHFFFAOYSA-N 0 3 274.364 2.432 20 30 CEEDHN CO[C@@H]1CCN(CCOc2ccc(C#N)cc2)C[C@H]1C ZINC000451552711 395622567 /nfs/dbraw/zinc/62/25/67/395622567.db2.gz XOXSXLGELDLZHN-CZUORRHYSA-N 0 3 274.364 2.294 20 30 CEEDHN CCCN(CCN1CCCC1)C(=O)c1cc(C#N)[nH]c1C ZINC000451695495 395624158 /nfs/dbraw/zinc/62/41/58/395624158.db2.gz QFBVXBDPYGQPRG-UHFFFAOYSA-N 0 3 288.395 2.143 20 30 CEEDHN Cc1cnc(CCNCc2ccc(C#N)s2)cn1 ZINC000453593085 395628253 /nfs/dbraw/zinc/62/82/53/395628253.db2.gz GFLVCZAKTWCQQH-UHFFFAOYSA-N 0 3 258.350 2.051 20 30 CEEDHN CC(C)(CC#N)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000458013663 395637729 /nfs/dbraw/zinc/63/77/29/395637729.db2.gz BNAFNAVGYPOTKL-OAHLLOKOSA-N 0 3 294.358 2.297 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2C2CC2)cc1 ZINC000575010054 395643909 /nfs/dbraw/zinc/64/39/09/395643909.db2.gz ZEZHUYJGAMIVGR-HRCADAONSA-N 0 3 279.343 2.155 20 30 CEEDHN Cc1cc(CN2CCC[C@@H](C)[C@@H]2CO)ccc1C#N ZINC000488137206 395668091 /nfs/dbraw/zinc/66/80/91/395668091.db2.gz UCIHKZQSJBPGEI-WBMJQRKESA-N 0 3 258.365 2.460 20 30 CEEDHN C#C[C@H](NC[C@H](O)COc1ccc(OCC)cc1)C(C)C ZINC000491382169 395669239 /nfs/dbraw/zinc/66/92/39/395669239.db2.gz HSACNHFIZCXDJI-YOEHRIQHSA-N 0 3 291.391 2.072 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000491427155 395669640 /nfs/dbraw/zinc/66/96/40/395669640.db2.gz JGPDMSZODXVVAQ-SWLSCSKDSA-N 0 3 268.376 2.117 20 30 CEEDHN Cn1cccc(C(=O)C(C#N)c2nc(C3CC3)cs2)c1=O ZINC000647378001 395710884 /nfs/dbraw/zinc/71/08/84/395710884.db2.gz IKHJCNSSASTNFU-NSHDSACASA-N 0 3 299.355 2.209 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCCO[C@H](c2ccccc2)C1 ZINC000649287108 396113356 /nfs/dbraw/zinc/11/33/56/396113356.db2.gz FURPWSUDULHNHU-CVEARBPZSA-N 0 3 261.365 2.387 20 30 CEEDHN CCCCO[C@H]1C[C@H](NCC#CCOC)C1(C)C ZINC000649580191 396197486 /nfs/dbraw/zinc/19/74/86/396197486.db2.gz BEFYCLHONPVTLE-KBPBESRZSA-N 0 3 253.386 2.210 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCc2ccccc2[C@@H](C)C1 ZINC000649833196 396270908 /nfs/dbraw/zinc/27/09/08/396270908.db2.gz HXLNDTIYFGWNLF-KBPBESRZSA-N 0 3 272.392 2.339 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCc2ccccc2[C@H](C)C1 ZINC000649833197 396271165 /nfs/dbraw/zinc/27/11/65/396271165.db2.gz HXLNDTIYFGWNLF-KGLIPLIRSA-N 0 3 272.392 2.339 20 30 CEEDHN C=CCN1CC[C@H](N2CCc3ccccc3[C@H](C)C2)C1=O ZINC000649835939 396271490 /nfs/dbraw/zinc/27/14/90/396271490.db2.gz WKFQNYYSHJGGMA-PBHICJAKSA-N 0 3 284.403 2.435 20 30 CEEDHN C=CCCCCCN(C)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000150883521 400281741 /nfs/dbraw/zinc/28/17/41/400281741.db2.gz FWSISLDDRAVMSM-HUUCEWRRSA-N 0 3 282.428 2.348 20 30 CEEDHN N#Cc1ccc(F)c(CN2CC[C@@H](CCCO)C2)c1 ZINC000452137296 400581645 /nfs/dbraw/zinc/58/16/45/400581645.db2.gz ZWWRNAPFDBABTI-GFCCVEGCSA-N 0 3 262.328 2.292 20 30 CEEDHN C[C@H](C(=O)N1CC[C@H]2CCN(C)C[C@@H]21)c1cccc(C#N)c1 ZINC000360768745 155367023 /nfs/dbraw/zinc/36/70/23/155367023.db2.gz OFXRXVWSKBRBPZ-LXZKKBNFSA-N 0 3 297.402 2.214 20 30 CEEDHN N#Cc1cccc(CNCc2cccc(CO)c2)c1 ZINC000222113858 153313633 /nfs/dbraw/zinc/31/36/33/153313633.db2.gz RIUYIJLJIZMODD-UHFFFAOYSA-N 0 3 252.317 2.340 20 30 CEEDHN C[C@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(C#N)cc1 ZINC000348970690 154304972 /nfs/dbraw/zinc/30/49/72/154304972.db2.gz XFPPCGMYAZGRGT-RYUDHWBXSA-N 0 3 292.404 2.175 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCO[C@H]2C2CC2)cc1F ZINC000364783499 156067343 /nfs/dbraw/zinc/06/73/43/156067343.db2.gz KHYNPPQFKPOCFC-GJZGRUSLSA-N 0 3 260.312 2.354 20 30 CEEDHN Cc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1C#N ZINC000367037356 156117888 /nfs/dbraw/zinc/11/78/88/156117888.db2.gz SITQQHNXTKVQAP-XJKSGUPXSA-N 0 3 283.375 2.033 20 30 CEEDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)NC1(C#N)CCC1 ZINC000347204090 287028453 /nfs/dbraw/zinc/02/84/53/287028453.db2.gz GWOPQDQVIUPVGM-KGLIPLIRSA-N 0 3 277.412 2.449 20 30 CEEDHN N#Cc1csc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)c1 ZINC000560630140 298658270 /nfs/dbraw/zinc/65/82/70/298658270.db2.gz SESUWGFOQXKION-CABCVRRESA-N 0 3 292.404 2.029 20 30 CEEDHN N#Cc1ncn(CCNCc2ccc(Cl)c(Cl)c2)n1 ZINC000285566416 196329390 /nfs/dbraw/zinc/32/93/90/196329390.db2.gz SATVMMREZKBKFO-UHFFFAOYSA-N 0 3 296.161 2.246 20 30 CEEDHN C=CCOCCNCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657431184 414931285 /nfs/dbraw/zinc/93/12/85/414931285.db2.gz YEJYPHXYCAXUAV-MRXNPFEDSA-N 0 3 277.364 2.147 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H](C(C)C)C2CC2)CC1 ZINC000660703656 414940619 /nfs/dbraw/zinc/94/06/19/414940619.db2.gz FZVBDLQBLCWZBE-OAHLLOKOSA-N 0 3 279.428 2.371 20 30 CEEDHN C=CCOc1ccccc1CNC[C@@H](OC)[C@@H]1CCOC1 ZINC000657546235 414994398 /nfs/dbraw/zinc/99/43/98/414994398.db2.gz ZRZQMTZQIILKPF-NVXWUHKLSA-N 0 3 291.391 2.393 20 30 CEEDHN C=CCCCCCNC(=O)N1CCN(C)CC[C@@H]1C ZINC000654665788 415000067 /nfs/dbraw/zinc/00/00/67/415000067.db2.gz NZTYVKHLGIGWLJ-AWEZNQCLSA-N 0 3 267.417 2.468 20 30 CEEDHN C=CCC1(NCc2cn(C3CCC3)nn2)CCOCC1 ZINC000657634468 415032523 /nfs/dbraw/zinc/03/25/23/415032523.db2.gz JSXDDJKKQJHRHA-UHFFFAOYSA-N 0 3 276.384 2.218 20 30 CEEDHN C=CCN(C[C@H](O)COc1ccc(F)cc1)[C@H](C)COC ZINC000661245293 415155622 /nfs/dbraw/zinc/15/56/22/415155622.db2.gz AUJYEFGOTPOOOW-HIFRSBDPSA-N 0 3 297.370 2.088 20 30 CEEDHN C=CCCn1cc(CN2CCC[C@H]2[C@@H]2CCCOC2)nn1 ZINC000653775281 415099190 /nfs/dbraw/zinc/09/91/90/415099190.db2.gz USFCQEUWXJZIDU-ZBFHGGJFSA-N 0 3 290.411 2.245 20 30 CEEDHN C=CCCn1cc(CN2CCC[C@@H]2[C@@H]2CCCOC2)nn1 ZINC000653775278 415099766 /nfs/dbraw/zinc/09/97/66/415099766.db2.gz USFCQEUWXJZIDU-GDBMZVCRSA-N 0 3 290.411 2.245 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NCC(=O)Nc1nncs1 ZINC000661116723 415103641 /nfs/dbraw/zinc/10/36/41/415103641.db2.gz ZJPFEZZUZPELDO-MNOVXSKESA-N 0 3 280.397 2.201 20 30 CEEDHN CCCNC(=O)CCN[C@H](C)c1ccc(C#N)cc1 ZINC000045071960 175302180 /nfs/dbraw/zinc/30/21/80/175302180.db2.gz UWTHIAMDZJHSCL-GFCCVEGCSA-N 0 3 259.353 2.125 20 30 CEEDHN C=CC[C@@H]1CCCN(CC(=O)N(C)CC2CC2)C1 ZINC000661381305 415233322 /nfs/dbraw/zinc/23/33/22/415233322.db2.gz ZXAREFJWDIORFY-CYBMUJFWSA-N 0 3 250.386 2.143 20 30 CEEDHN C=CC1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1 ZINC000661509211 415302907 /nfs/dbraw/zinc/30/29/07/415302907.db2.gz YUSKEXJOTHBJNR-AWEZNQCLSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CC[C@@H](C)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659034954 415397888 /nfs/dbraw/zinc/39/78/88/415397888.db2.gz RZPJUYJEIVJJDY-DOMZBBRYSA-N 0 3 289.379 2.434 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000664810255 415484552 /nfs/dbraw/zinc/48/45/52/415484552.db2.gz MVQDLBFZRXKIGR-OLZOCXBDSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CSCCN1 ZINC000659329790 415518843 /nfs/dbraw/zinc/51/88/43/415518843.db2.gz RRGMXZCBPCLPHK-HZSPNIEDSA-N 0 3 282.453 2.333 20 30 CEEDHN CCC#C[C@@H](C)N1CCC[C@H](N2CCCC2=O)CC1 ZINC000665253731 415650862 /nfs/dbraw/zinc/65/08/62/415650862.db2.gz HCPDRBWXWBUSRE-CABCVRRESA-N 0 3 262.397 2.265 20 30 CEEDHN C=CCN(CC=C)C(=O)c1cc2c(s1)CCNC2 ZINC000662433492 415840690 /nfs/dbraw/zinc/84/06/90/415840690.db2.gz IBQAGYMUZDAVCF-UHFFFAOYSA-N 0 3 262.378 2.208 20 30 CEEDHN C=CCCC1(CNC(=O)NCCN(C)C)CCCC1 ZINC000665589232 415785878 /nfs/dbraw/zinc/78/58/78/415785878.db2.gz PLEIZRIMBRQFLV-UHFFFAOYSA-N 0 3 267.417 2.374 20 30 CEEDHN CC(C#N)C(=O)N1CCC(OCCc2ccccc2)CC1 ZINC000347030650 226020257 /nfs/dbraw/zinc/02/02/57/226020257.db2.gz CHQIHFFKUUVHAA-CQSZACIVSA-N 0 3 286.375 2.396 20 30 CEEDHN N#CC(C(=O)c1ccc(-c2ncon2)cc1)c1ccncn1 ZINC000354466130 227003203 /nfs/dbraw/zinc/00/32/03/227003203.db2.gz MLWTXWFJMJGULC-GFCCVEGCSA-N 0 3 291.270 2.017 20 30 CEEDHN CC(C#N)C(=O)NCc1ccccc1OCC1CC1 ZINC000352710908 227181540 /nfs/dbraw/zinc/18/15/40/227181540.db2.gz UTUAJZQXRZINHQ-NSHDSACASA-N 0 3 258.321 2.251 20 30 CEEDHN CN(C)Cc1ccccc1C(=O)N(C)CC(C)(C)C#N ZINC000353301013 228082172 /nfs/dbraw/zinc/08/21/72/228082172.db2.gz SLZORCWEPSEYDB-UHFFFAOYSA-N 0 3 273.380 2.370 20 30 CEEDHN C=CCOc1ccc(CNC[C@@H]2CCC(=O)N2)cc1Cl ZINC000076760306 419423005 /nfs/dbraw/zinc/42/30/05/419423005.db2.gz JHPRKHVICFTORZ-LBPRGKRZSA-N 0 3 294.782 2.273 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cccc(CN)c1 ZINC000667735329 419784879 /nfs/dbraw/zinc/78/48/79/419784879.db2.gz QNRJOKKWLULTNI-DZGCQCFKSA-N 0 3 289.379 2.248 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)c(C)n2)CC1 ZINC000298141866 260145034 /nfs/dbraw/zinc/14/50/34/260145034.db2.gz OMZYDRWLVRTHMX-UHFFFAOYSA-N 0 3 287.407 2.469 20 30 CEEDHN C#CCCN1CCN(C/C=C/c2ccccc2)CC1 ZINC000299209819 260174912 /nfs/dbraw/zinc/17/49/12/260174912.db2.gz BQVCUHZRJGNPNZ-JXMROGBWSA-N 0 3 254.377 2.341 20 30 CEEDHN C#CCN(CCC(=O)N(C)OC)[C@H]1CCc2ccccc21 ZINC000490637164 261175980 /nfs/dbraw/zinc/17/59/80/261175980.db2.gz QGSGSDSDICASTR-INIZCTEOSA-N 0 3 286.375 2.019 20 30 CEEDHN CC(C)(C#N)C(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000107634071 261379947 /nfs/dbraw/zinc/37/99/47/261379947.db2.gz KDBOABCTPGNRQS-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN C#CCNC(=O)CCNCc1ccc(-c2ccccc2)o1 ZINC000491263798 261392564 /nfs/dbraw/zinc/39/25/64/261392564.db2.gz CBSVVPPTXISWJC-UHFFFAOYSA-N 0 3 282.343 2.176 20 30 CEEDHN C[NH+](C)[C@H]1CCC[C@@H](/N=C/c2ccc(O)c([O-])c2O)C1 ZINC000178704592 261756514 /nfs/dbraw/zinc/75/65/14/261756514.db2.gz NOZIQSHSWRNAGT-QPBATNEMSA-N 0 3 278.352 2.095 20 30 CEEDHN C=CCCO[C@H](C)C(=O)Nc1cccc2c1CNCC2 ZINC000367655089 262180936 /nfs/dbraw/zinc/18/09/36/262180936.db2.gz XTSFYSHARUNRLY-GFCCVEGCSA-N 0 3 274.364 2.252 20 30 CEEDHN COc1ccccc1[C@H](O)CN[C@H]1CCC[C@H](C#N)C1 ZINC000192712345 262209241 /nfs/dbraw/zinc/20/92/41/262209241.db2.gz ZBPDWVDHTUXOJX-KCQAQPDRSA-N 0 3 274.364 2.401 20 30 CEEDHN N#C[C@H]1CCC[C@H](NCC(=O)NC2CCCCC2)C1 ZINC000185815678 262309103 /nfs/dbraw/zinc/30/91/03/262309103.db2.gz YUHKQABRURPSMI-JSGCOSHPSA-N 0 3 263.385 2.107 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC[C@H]1C(C)(C)C ZINC000355349606 262363826 /nfs/dbraw/zinc/36/38/26/262363826.db2.gz APOWMTPSKHSVGG-ZDUSSCGKSA-N 0 3 265.401 2.259 20 30 CEEDHN C[C@@H](C#N)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338758063 262558980 /nfs/dbraw/zinc/55/89/80/262558980.db2.gz SGYLDPPRTGKGDZ-GXFFZTMASA-N 0 3 279.771 2.219 20 30 CEEDHN C=CCOCCN1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000338995413 262577864 /nfs/dbraw/zinc/57/78/64/262577864.db2.gz OKUADYURAXCNBD-AWEZNQCLSA-N 0 3 282.428 2.063 20 30 CEEDHN CC[C@@](C)(NCCC1(C#N)CCCCC1)C(N)=O ZINC000411394945 262691504 /nfs/dbraw/zinc/69/15/04/262691504.db2.gz UNCLWWOZCDHTIE-CYBMUJFWSA-N 0 3 251.374 2.094 20 30 CEEDHN CC(C)(C)c1cnc(CNC(=N)Nc2ccccn2)o1 ZINC000262503913 262775064 /nfs/dbraw/zinc/77/50/64/262775064.db2.gz AVUADQVMRZIUMM-UHFFFAOYSA-N 0 3 273.340 2.294 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCCC#N ZINC000273620018 263018512 /nfs/dbraw/zinc/01/85/12/263018512.db2.gz VQNDTMIRGRWFND-CQSZACIVSA-N 0 3 288.395 2.110 20 30 CEEDHN CC[C@H](CC#N)N[C@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000274421835 263023970 /nfs/dbraw/zinc/02/39/70/263023970.db2.gz LKUXXERYPHGWKL-CHWSQXEVSA-N 0 3 299.374 2.343 20 30 CEEDHN CCN(CCCCC#N)CC(=O)N1CCCCCC1 ZINC000353192063 263053863 /nfs/dbraw/zinc/05/38/63/263053863.db2.gz ARBZONSYWCRTNJ-UHFFFAOYSA-N 0 3 265.401 2.405 20 30 CEEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279639447 263056336 /nfs/dbraw/zinc/05/63/36/263056336.db2.gz WNVNFDNVAYJXLH-DOMZBBRYSA-N 0 3 267.332 2.109 20 30 CEEDHN CN(C)CCN(C)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280050425 263058769 /nfs/dbraw/zinc/05/87/69/263058769.db2.gz WDNBVXNCRPUILY-UHFFFAOYSA-N 0 3 273.380 2.121 20 30 CEEDHN CCN(CC(F)F)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280185959 263059632 /nfs/dbraw/zinc/05/96/32/263059632.db2.gz YOGBIZJQPKSVKU-CYBMUJFWSA-N 0 3 291.301 2.354 20 30 CEEDHN C#CCCN1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366600901 263069925 /nfs/dbraw/zinc/06/99/25/263069925.db2.gz PALRBOFQYBIGRB-UONOGXRCSA-N 0 3 278.396 2.341 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc(OCC#N)cc1 ZINC000283052205 263080576 /nfs/dbraw/zinc/08/05/76/263080576.db2.gz JAGMGNINUNILRX-QWHCGFSZSA-N 0 3 290.363 2.266 20 30 CEEDHN CC1(C)SC[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000283561874 263083205 /nfs/dbraw/zinc/08/32/05/263083205.db2.gz IXGZCAVJKBBFBS-KBPBESRZSA-N 0 3 299.399 2.251 20 30 CEEDHN C=CCN(C)CCN(CC)CC(=O)NC1CCCCCC1 ZINC000340209331 263094130 /nfs/dbraw/zinc/09/41/30/263094130.db2.gz RYHSPHCHWWFPDL-UHFFFAOYSA-N 0 3 295.471 2.265 20 30 CEEDHN C#Cc1ccc(CN(C)CCc2noc(C)n2)cc1 ZINC000289457304 263110371 /nfs/dbraw/zinc/11/03/71/263110371.db2.gz XXFHEDZYUQUKIB-UHFFFAOYSA-N 0 3 255.321 2.034 20 30 CEEDHN CN(C(=O)CCCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000291904568 263126472 /nfs/dbraw/zinc/12/64/72/263126472.db2.gz LOHZQCDDYXMZIW-INIZCTEOSA-N 0 3 285.391 2.413 20 30 CEEDHN C[C@@H](NCCCC#N)c1ccc(C(=O)N(C)C)cc1 ZINC000292096715 263128554 /nfs/dbraw/zinc/12/85/54/263128554.db2.gz JFTLBTNEXITXHW-GFCCVEGCSA-N 0 3 259.353 2.343 20 30 CEEDHN COc1ccccc1[C@@H]1CCN(CCOCCC#N)C1 ZINC000293139538 263138180 /nfs/dbraw/zinc/13/81/80/263138180.db2.gz QIQJNCOBYSKKJT-CQSZACIVSA-N 0 3 274.364 2.415 20 30 CEEDHN Cc1ccccc1OCCN(C)CCOCCC#N ZINC000293440999 263140473 /nfs/dbraw/zinc/14/04/73/263140473.db2.gz JXBQYSMDMFRQJN-UHFFFAOYSA-N 0 3 262.353 2.236 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CC[C@](CO)(c3ccccc3)C2)C1 ZINC000293621765 263144869 /nfs/dbraw/zinc/14/48/69/263144869.db2.gz QLZKFSBGLCSNQR-PVAVHDDUSA-N 0 3 270.376 2.315 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@](CO)(c3ccccc3)C2)C1 ZINC000293621760 263145023 /nfs/dbraw/zinc/14/50/23/263145023.db2.gz QLZKFSBGLCSNQR-DJIMGWMZSA-N 0 3 270.376 2.315 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]2CF)cc1 ZINC000294141951 263156504 /nfs/dbraw/zinc/15/65/04/263156504.db2.gz QWHNQXHSLUYFQR-HUUCEWRRSA-N 0 3 285.322 2.201 20 30 CEEDHN N#CCCOCCN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000294275095 263158961 /nfs/dbraw/zinc/15/89/61/263158961.db2.gz VTKLLHIKVANVIT-HUUCEWRRSA-N 0 3 296.317 2.315 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](OCc3ccncc3)C2)C1 ZINC000294280988 263159344 /nfs/dbraw/zinc/15/93/44/263159344.db2.gz WBLHLPUBTZVLKH-OAGGEKHMSA-N 0 3 271.364 2.365 20 30 CEEDHN C[C@@H](CN(C)CCOCCC#N)c1nccs1 ZINC000294706566 263166384 /nfs/dbraw/zinc/16/63/84/263166384.db2.gz UWORTXUMVXHCJG-NSHDSACASA-N 0 3 253.371 2.109 20 30 CEEDHN COC[C@]1(C)CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000296603885 263193916 /nfs/dbraw/zinc/19/39/16/263193916.db2.gz GIBXVNRMUINJLL-MRXNPFEDSA-N 0 3 274.364 2.447 20 30 CEEDHN C[C@H]1C[C@@H](O)CN1Cc1cccc(OCCCC#N)c1 ZINC000471802663 263266007 /nfs/dbraw/zinc/26/60/07/263266007.db2.gz BYCGTZUQVORJPQ-DZGCQCFKSA-N 0 3 274.364 2.324 20 30 CEEDHN C=CCSCCNC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000341090510 263321939 /nfs/dbraw/zinc/32/19/39/263321939.db2.gz CAXDDDKWEPYUGL-OKILXGFUSA-N 0 3 299.484 2.468 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)NCCCCC#N ZINC000341127788 263322902 /nfs/dbraw/zinc/32/29/02/263322902.db2.gz YOSFQWXDFRSZAE-KBPBESRZSA-N 0 3 280.416 2.242 20 30 CEEDHN C=CC[C@H](CO)CNCc1cc([N+](=O)[O-])ccc1OCC ZINC000341281610 263330199 /nfs/dbraw/zinc/33/01/99/263330199.db2.gz VVZNOTISWCEVCI-LBPRGKRZSA-N 0 3 294.351 2.268 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000341459920 263336521 /nfs/dbraw/zinc/33/65/21/263336521.db2.gz HXJYNMLKZNIQKP-LSDHHAIUSA-N 0 3 297.443 2.093 20 30 CEEDHN C=CCOc1cccnc1C(=O)NCCN(C)CCCC ZINC000341547446 263343055 /nfs/dbraw/zinc/34/30/55/263343055.db2.gz NTOWLMPPMJAGEP-UHFFFAOYSA-N 0 3 291.395 2.108 20 30 CEEDHN CN(C(=O)C(C#N)CCc1ccccc1)[C@@H]1CCC[C@H]1O ZINC000341833831 263353668 /nfs/dbraw/zinc/35/36/68/263353668.db2.gz LPLAEAWLXJRAOS-ARFHVFGLSA-N 0 3 286.375 2.131 20 30 CEEDHN C=CCCN(C)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000342184859 263394956 /nfs/dbraw/zinc/39/49/56/263394956.db2.gz GLMNCQIJMZWLCY-KBPBESRZSA-N 0 3 267.417 2.324 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)C1(C#N)CCCC1 ZINC000330720051 264024242 /nfs/dbraw/zinc/02/42/42/264024242.db2.gz BGNDMEMLAPUWBP-AWEZNQCLSA-N 0 3 277.412 2.451 20 30 CEEDHN CCN1CCC(NC(=O)NCc2nc(C)c(C)s2)CC1 ZINC000330933750 264097408 /nfs/dbraw/zinc/09/74/08/264097408.db2.gz FJFHEAUUQNCPRV-UHFFFAOYSA-N 0 3 296.440 2.248 20 30 CEEDHN C=CCN1CCC(NC(=O)c2coc(CC)n2)CC1 ZINC000331076807 264115080 /nfs/dbraw/zinc/11/50/80/264115080.db2.gz VULBCFLJPWSSSU-UHFFFAOYSA-N 0 3 263.341 2.192 20 30 CEEDHN CC(=O)N[C@H](C)C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000331146300 264137902 /nfs/dbraw/zinc/13/79/02/264137902.db2.gz VYHFSBKGQLKUJW-CQSZACIVSA-N 0 3 299.418 2.489 20 30 CEEDHN C[C@@H]1COC[C@@H](C)N1C(=O)C(C#N)CCc1ccccc1 ZINC000331212811 264163447 /nfs/dbraw/zinc/16/34/47/264163447.db2.gz KOOBGDMGTYAORV-IIAWOOMASA-N 0 3 286.375 2.395 20 30 CEEDHN CCCC(=O)NC[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000331275613 264170249 /nfs/dbraw/zinc/17/02/49/264170249.db2.gz XJJAMMQYEBOTTL-ILXRZTDVSA-N 0 3 277.412 2.307 20 30 CEEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000090182316 264392273 /nfs/dbraw/zinc/39/22/73/264392273.db2.gz FRZXTZSYSAUDAS-UKRRQHHQSA-N 0 3 298.386 2.113 20 30 CEEDHN C=CCN(CC=C)CCc1c(C)nc2ccccn2c1=O ZINC000283633323 264516743 /nfs/dbraw/zinc/51/67/43/264516743.db2.gz AEORKFHGZWDSNQ-UHFFFAOYSA-N 0 3 283.375 2.219 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNc1nnc(C)c(C)n1)C(C)C ZINC000356191036 266067681 /nfs/dbraw/zinc/06/76/81/266067681.db2.gz LHOBYJAVOZBPBK-HNNXBMFYSA-N 0 3 289.427 2.021 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CC[C@]2(C1)CCCN(C)C2)OCC ZINC000356296967 266089917 /nfs/dbraw/zinc/08/99/17/266089917.db2.gz MSLQEHRMCYSKOK-DOTOQJQBSA-N 0 3 294.439 2.302 20 30 CEEDHN COc1c(CNC(=O)C(C)C#N)oc2ccccc21 ZINC000356631833 266150390 /nfs/dbraw/zinc/15/03/90/266150390.db2.gz ZJKKMJDZOXGWKA-SECBINFHSA-N 0 3 258.277 2.217 20 30 CEEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)C(C)C#N ZINC000356749357 266168763 /nfs/dbraw/zinc/16/87/63/266168763.db2.gz OUONTUGVIMXWOW-NRUUGDAUSA-N 0 3 264.300 2.178 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)C2CCC2)CC1 ZINC000356920518 266211092 /nfs/dbraw/zinc/21/10/92/266211092.db2.gz FDLDIDBYMYSTQX-ZDUSSCGKSA-N 0 3 279.428 2.467 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000357818135 266372689 /nfs/dbraw/zinc/37/26/89/266372689.db2.gz BTRGZJYVOGGWEO-SCRDCRAPSA-N 0 3 258.321 2.135 20 30 CEEDHN CC(C#N)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000357840026 266374304 /nfs/dbraw/zinc/37/43/04/266374304.db2.gz WYQHCQQMEZQYDV-CYBMUJFWSA-N 0 3 272.348 2.011 20 30 CEEDHN CCCCCCCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363125737 267075417 /nfs/dbraw/zinc/07/54/17/267075417.db2.gz VAMJMNDILAMECB-HUUCEWRRSA-N 0 3 282.428 2.326 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000367975880 267131788 /nfs/dbraw/zinc/13/17/88/267131788.db2.gz FCRPAWORRXIZQZ-ZIAGYGMSSA-N 0 3 278.396 2.199 20 30 CEEDHN CN1CC[C@@]2(CCN(C(=O)NCC(C)(C)CCC#N)C2)C1 ZINC000368145232 267148601 /nfs/dbraw/zinc/14/86/01/267148601.db2.gz FWTDNFYYGRUONF-MRXNPFEDSA-N 0 3 292.427 2.054 20 30 CEEDHN CCO[C@@H]1COCC[C@@H]1NCc1ccc(C#N)c(C)c1 ZINC000488084888 267148875 /nfs/dbraw/zinc/14/88/75/267148875.db2.gz HHDFKXYUXKAYHL-JKSUJKDBSA-N 0 3 274.364 2.150 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@H](COC)C1 ZINC000369248517 267228573 /nfs/dbraw/zinc/22/85/73/267228573.db2.gz FKRBRHYHMMMKAJ-HNNXBMFYSA-N 0 3 282.428 2.160 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000455464461 267279741 /nfs/dbraw/zinc/27/97/41/267279741.db2.gz KQZDAPAKRQQLKE-UHFFFAOYSA-N 0 3 278.331 2.159 20 30 CEEDHN CN(C)C[C@H]1CCCN1C(=O)/C=C\c1cccc(C#N)c1 ZINC000492101687 267281901 /nfs/dbraw/zinc/28/19/01/267281901.db2.gz CMKCSMGIMKFCQA-HLRDLLSLSA-N 0 3 283.375 2.124 20 30 CEEDHN CN(C)C[C@H]1CCCN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000521574422 267283033 /nfs/dbraw/zinc/28/30/33/267283033.db2.gz VONIOPKRBJVEEP-CYBMUJFWSA-N 0 3 291.782 2.378 20 30 CEEDHN CC(C)(C#N)CCN1CCCC[C@H]1CN1CCCC1=O ZINC000371199817 267369163 /nfs/dbraw/zinc/36/91/63/267369163.db2.gz WQZZYAIFJNUDDS-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000418150694 267375543 /nfs/dbraw/zinc/37/55/43/267375543.db2.gz RCSNUDHGAIFECP-UONOGXRCSA-N 0 3 261.369 2.340 20 30 CEEDHN Cc1cc(NC[C@H](c2ccsc2)N(C)C)c(C#N)cn1 ZINC000425203722 267951295 /nfs/dbraw/zinc/95/12/95/267951295.db2.gz FSBSGJLLROAIJB-OAHLLOKOSA-N 0 3 286.404 2.460 20 30 CEEDHN C#CCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000376736035 268012060 /nfs/dbraw/zinc/01/20/60/268012060.db2.gz UDLNCNGLKNFXER-NVXWUHKLSA-N 0 3 299.418 2.362 20 30 CEEDHN Cc1ccnc(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1C#N ZINC000488741539 268063680 /nfs/dbraw/zinc/06/36/80/268063680.db2.gz ZKCUXVKNGTUECT-IVMMDQJWSA-N 0 3 284.407 2.428 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCCF)cc1 ZINC000360821721 268089573 /nfs/dbraw/zinc/08/95/73/268089573.db2.gz ZXXIJSYKSOUBAY-CQSZACIVSA-N 0 3 273.311 2.106 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](CCCO)C2)c(F)c1 ZINC000449790830 268222161 /nfs/dbraw/zinc/22/21/61/268222161.db2.gz MLIPPZMATHQSHS-LBPRGKRZSA-N 0 3 262.328 2.292 20 30 CEEDHN N#Cc1ccc(CNC[C@@H]2CCN2C2CCCC2)o1 ZINC000527811966 268233416 /nfs/dbraw/zinc/23/34/16/268233416.db2.gz ZJCYXHRBNOPDDW-ZDUSSCGKSA-N 0 3 259.353 2.258 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000335975087 276362743 /nfs/dbraw/zinc/36/27/43/276362743.db2.gz MPEMUEYPRRQFNU-CQSZACIVSA-N 0 3 292.427 2.196 20 30 CEEDHN CC[C@@H](NCc1ccc(C#N)cc1)[C@H](O)C(F)F ZINC000295096104 276437687 /nfs/dbraw/zinc/43/76/87/276437687.db2.gz SBHBRUDSVFYTHT-NEPJUHHUSA-N 0 3 254.280 2.052 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Cc1ccc(C#N)cc1 ZINC000344686338 277040893 /nfs/dbraw/zinc/04/08/93/277040893.db2.gz BWZSURGOERGPMH-MRXNPFEDSA-N 0 3 299.418 2.337 20 30 CEEDHN CN1CC[C@H]2CCN(c3snc(Cl)c3C#N)C[C@H]21 ZINC000364298881 277179362 /nfs/dbraw/zinc/17/93/62/277179362.db2.gz CLQRTAWEBWOXNC-WCBMZHEXSA-N 0 3 282.800 2.199 20 30 CEEDHN CC(C)N1CCC[C@@H](N2CCC(CC#N)CC2)C1=O ZINC000336355627 277599888 /nfs/dbraw/zinc/59/98/88/277599888.db2.gz RTRKVSNEBOXZFF-CQSZACIVSA-N 0 3 263.385 2.011 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC3(C2)CCCC3)CC1 ZINC000335893370 277857537 /nfs/dbraw/zinc/85/75/37/277857537.db2.gz XXFBWKKZZSWOHK-UHFFFAOYSA-N 0 3 277.412 2.222 20 30 CEEDHN COc1ccc2c(c1)OC[C@H](N[C@H]1CC[C@@H](C#N)C1)C2 ZINC000333566185 277978304 /nfs/dbraw/zinc/97/83/04/277978304.db2.gz SKBXWJIYYJTIRC-KWCYVHTRSA-N 0 3 272.348 2.281 20 30 CEEDHN CS[C@H]1CN(c2ncc(C#N)cc2Cl)C[C@@H]1N(C)C ZINC000270370403 278168594 /nfs/dbraw/zinc/16/85/94/278168594.db2.gz MRSVCMKVDYIZLZ-RYUDHWBXSA-N 0 3 296.827 2.088 20 30 CEEDHN C[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)[C@H]1C ZINC000246835937 280311441 /nfs/dbraw/zinc/31/14/41/280311441.db2.gz RUAFMBRUDSPVGR-NEPJUHHUSA-N 0 3 254.337 2.436 20 30 CEEDHN COCCO[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000248990703 280378466 /nfs/dbraw/zinc/37/84/66/280378466.db2.gz XCDYOYYOZSGXIF-XJKSGUPXSA-N 0 3 274.364 2.357 20 30 CEEDHN CC(C)(O)[C@H]1CCCN1Cc1ccc(C#N)s1 ZINC000154474865 289146692 /nfs/dbraw/zinc/14/66/92/289146692.db2.gz URYZZMOCWZCIAM-GFCCVEGCSA-N 0 3 250.367 2.355 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000186699718 327700047 /nfs/dbraw/zinc/70/00/47/327700047.db2.gz QCBNMCDZXAPHKC-YPMHNXCESA-N 0 3 265.353 2.291 20 30 CEEDHN Cc1ncsc1CNCCOc1ccc(C#N)cc1 ZINC000174558951 312690402 /nfs/dbraw/zinc/69/04/02/312690402.db2.gz DFKWJRZFATYXPZ-UHFFFAOYSA-N 0 3 273.361 2.492 20 30 CEEDHN CSC[C@@H](CCO)N[C@H](C)c1ccc(C#N)cc1 ZINC000181797729 312798186 /nfs/dbraw/zinc/79/81/86/312798186.db2.gz SAASYUZCYRQJKK-BXUZGUMPSA-N 0 3 264.394 2.323 20 30 CEEDHN C[C@H]1CSC[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000577734699 314408196 /nfs/dbraw/zinc/40/81/96/314408196.db2.gz GKCLLQPRWMFPCF-JOYOIKCWSA-N 0 3 277.349 2.308 20 30 CEEDHN CCC[C@@H](C)[C@@H](CO)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000577757400 314411299 /nfs/dbraw/zinc/41/12/99/314411299.db2.gz WRDBRDOQABILCD-BXUZGUMPSA-N 0 3 291.351 2.353 20 30 CEEDHN CCSCc1ccnc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000582299249 328953776 /nfs/dbraw/zinc/95/37/76/328953776.db2.gz CFENBROUTRPFNJ-GFCCVEGCSA-N 0 3 292.408 2.294 20 30 CEEDHN C=CCOCCN1CCC(NC(=O)CC2CCCC2)CC1 ZINC000338989120 327994034 /nfs/dbraw/zinc/99/40/34/327994034.db2.gz FNIGARIFQVIVCJ-UHFFFAOYSA-N 0 3 294.439 2.350 20 30 CEEDHN CC1(C)[C@H](NCC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC000563363364 328058912 /nfs/dbraw/zinc/05/89/12/328058912.db2.gz JGEYSTLOSILKPG-KGLIPLIRSA-N 0 3 263.768 2.441 20 30 CEEDHN CCCCCCCCN1CCC(O)(C(=O)OC)CC1 ZINC000378359482 329047601 /nfs/dbraw/zinc/04/76/01/329047601.db2.gz JVEZVNLTQIAADT-UHFFFAOYSA-N 0 3 271.401 2.347 20 30 CEEDHN CN(Cc1ccccc1)[C@@H](CNCCC#N)C1CC1 ZINC000571159368 328089120 /nfs/dbraw/zinc/08/91/20/328089120.db2.gz IRKBAEWZRHCHFN-INIZCTEOSA-N 0 3 257.381 2.400 20 30 CEEDHN [O-]c1ccccc1/C=N/C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000268938784 328187137 /nfs/dbraw/zinc/18/71/37/328187137.db2.gz CZRKXKAOVBVNOK-YQMBXKBSSA-N 0 3 288.391 2.189 20 30 CEEDHN CC[C@@H](N[C@@H](C)CCC#N)c1cccc(S(N)(=O)=O)c1 ZINC000278634295 328228997 /nfs/dbraw/zinc/22/89/97/328228997.db2.gz OJLXFARMLUXLGG-SMDDNHRTSA-N 0 3 295.408 2.067 20 30 CEEDHN Cc1ccccc1-n1cc(CNCCCCC#N)nn1 ZINC000289840108 328256317 /nfs/dbraw/zinc/25/63/17/328256317.db2.gz ULAUZNNOVRNHLZ-UHFFFAOYSA-N 0 3 269.352 2.359 20 30 CEEDHN C[C@@H]1CC(C)(C)CN1Cc1cnc2c(C#N)cnn2c1 ZINC000580327249 322311198 /nfs/dbraw/zinc/31/11/98/322311198.db2.gz CTWAYLDWNNJJRV-LLVKDONJSA-N 0 3 269.352 2.221 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cc(F)c(F)cc1F ZINC000341259984 328405492 /nfs/dbraw/zinc/40/54/92/328405492.db2.gz MHGRLRSZMSXBGK-SECBINFHSA-N 0 3 259.271 2.378 20 30 CEEDHN CC(C)(C)N1C[C@H](N[C@@H]2CCC[C@H](C#N)C2)CC1=O ZINC000185852847 329333511 /nfs/dbraw/zinc/33/35/11/329333511.db2.gz AWJUKZDBFJMIDI-YNEHKIRRSA-N 0 3 263.385 2.058 20 30 CEEDHN C#C[C@@H](NCc1ccc2c(c1)CCC(=O)N2C)C(C)C ZINC000289558594 328527289 /nfs/dbraw/zinc/52/72/89/328527289.db2.gz RPQSJXFEFBJNDJ-OAHLLOKOSA-N 0 3 270.376 2.343 20 30 CEEDHN C#CCN(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000292434896 328537330 /nfs/dbraw/zinc/53/73/30/328537330.db2.gz NMHKIQMTHRQKTC-ZDUSSCGKSA-N 0 3 291.420 2.160 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000334729125 328560801 /nfs/dbraw/zinc/56/08/01/328560801.db2.gz XNPZMRRAMIPVRA-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN COCC[C@@]1(NCC#Cc2ccccc2Cl)CCOC1 ZINC000584033245 326866331 /nfs/dbraw/zinc/86/63/31/326866331.db2.gz VZGMFIWIYUYMEJ-MRXNPFEDSA-N 0 3 293.794 2.477 20 30 CEEDHN CC(C)c1nc(CCNC(=O)C(C)C#N)cs1 ZINC000357874127 327202229 /nfs/dbraw/zinc/20/22/29/327202229.db2.gz FGLHCDFTKCODAR-VIFPVBQESA-N 0 3 251.355 2.085 20 30 CEEDHN C=CCN(CCCC(=O)NC)Cc1ccc(OC)cc1 ZINC000559638273 327255878 /nfs/dbraw/zinc/25/58/78/327255878.db2.gz RHNUGIABFXWTNS-UHFFFAOYSA-N 0 3 276.380 2.209 20 30 CEEDHN C[C@H](N[C@H]1CSC[C@@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000560446571 327308989 /nfs/dbraw/zinc/30/89/89/327308989.db2.gz ZMDNHQXZMPPWBP-AVGNSLFASA-N 0 3 295.452 2.059 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000562525175 327487381 /nfs/dbraw/zinc/48/73/81/327487381.db2.gz IHWHYVOYENTEQQ-NEPJUHHUSA-N 0 3 275.308 2.255 20 30 CEEDHN C[C@@H]1C[C@@H](NCc2ccc(OCC#N)cc2)[C@H](C)O1 ZINC000295181926 327613016 /nfs/dbraw/zinc/61/30/16/327613016.db2.gz MUWNJUAKJJLHIK-TYNCELHUSA-N 0 3 260.337 2.244 20 30 CEEDHN C=CCN(C(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC000357960531 328880495 /nfs/dbraw/zinc/88/04/95/328880495.db2.gz HEPBNFSERGSZEU-ZDUSSCGKSA-N 0 3 250.386 2.428 20 30 CEEDHN CC#CCCN1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000360469325 328907838 /nfs/dbraw/zinc/90/78/38/328907838.db2.gz OLXPUVJNPBIIJY-UHFFFAOYSA-N 0 3 288.366 2.433 20 30 CEEDHN CC(C)(C#N)CCCN1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000377935835 329035333 /nfs/dbraw/zinc/03/53/33/329035333.db2.gz ANYCJGJTKKTUMA-CQSZACIVSA-N 0 3 277.412 2.307 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@](C)(c2ccccc2)C1 ZINC000378126463 329040706 /nfs/dbraw/zinc/04/07/06/329040706.db2.gz MJPHYZOCJIQCPR-YJBOKZPZSA-N 0 3 299.418 2.411 20 30 CEEDHN C=CCC(CC=C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000378396148 329048953 /nfs/dbraw/zinc/04/89/53/329048953.db2.gz OCAJNCJQKAMQPD-UHFFFAOYSA-N 0 3 271.364 2.434 20 30 CEEDHN C#CCOc1ccc(CN[C@@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000172068685 329080593 /nfs/dbraw/zinc/08/05/93/329080593.db2.gz AZHFYNBBHPGPIG-MOPGFXCFSA-N 0 3 293.366 2.447 20 30 CEEDHN C#CCCCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000174080861 329154075 /nfs/dbraw/zinc/15/40/75/329154075.db2.gz NJSQLPHXBXPPSD-QGZVFWFLSA-N 0 3 299.418 2.364 20 30 CEEDHN C=CCN1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000176412312 329175311 /nfs/dbraw/zinc/17/53/11/329175311.db2.gz VUWGXABLVCNRFU-NSHDSACASA-N 0 3 250.308 2.379 20 30 CEEDHN C=CCOc1ccc(CN2CCNC[C@@H]2C(F)F)cc1 ZINC000514672221 329189340 /nfs/dbraw/zinc/18/93/40/329189340.db2.gz GYKPZICPRIYGAY-CQSZACIVSA-N 0 3 282.334 2.290 20 30 CEEDHN C=CCSCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000182510982 329242596 /nfs/dbraw/zinc/24/25/96/329242596.db2.gz NOBMTSLRVURAKX-KGLIPLIRSA-N 0 3 297.468 2.031 20 30 CEEDHN CC#CCCCC(=O)NCCN1CCC(C)CC1 ZINC000185137544 329266446 /nfs/dbraw/zinc/26/64/46/329266446.db2.gz JONAEHQJGUSGJP-UHFFFAOYSA-N 0 3 250.386 2.028 20 30 CEEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)N1CCCC[C@@H]1C ZINC000185809719 329329630 /nfs/dbraw/zinc/32/96/30/329329630.db2.gz WKKBFNXIQOQSBL-LJISPDSOSA-N 0 3 277.412 2.448 20 30 CEEDHN CC#CCCCC(=O)N(C)CC1(N(C)C)CCC1 ZINC000187008149 329351400 /nfs/dbraw/zinc/35/14/00/329351400.db2.gz WECWEWUFRCVEGR-UHFFFAOYSA-N 0 3 250.386 2.123 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCCCC1(C)C ZINC000392815011 329387100 /nfs/dbraw/zinc/38/71/00/329387100.db2.gz OQYKCCQRJNDUHL-CQSZACIVSA-N 0 3 264.413 2.274 20 30 CEEDHN N#CC1CCN(Cc2ccc(-n3cncn3)cc2)CC1 ZINC000123761059 329562555 /nfs/dbraw/zinc/56/25/55/329562555.db2.gz DRBUFVMQIUVKMC-UHFFFAOYSA-N 0 3 267.336 2.003 20 30 CEEDHN N#CC[C@@H]1CC[C@H](N[C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000419264356 329713195 /nfs/dbraw/zinc/71/31/95/329713195.db2.gz XMWSCABPXAVFAU-BPNCWPANSA-N 0 3 275.327 2.024 20 30 CEEDHN C#CC[C@H](NC[C@H](O)COCC(C)C)c1ccccc1 ZINC000271703470 330081960 /nfs/dbraw/zinc/08/19/60/330081960.db2.gz NBKIQPSZWPPXOX-IRXDYDNUSA-N 0 3 275.392 2.374 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(C)c(C)c1O ZINC000273409313 330093173 /nfs/dbraw/zinc/09/31/73/330093173.db2.gz HPAGJLKHFFSHND-ZDUSSCGKSA-N 0 3 297.420 2.260 20 30 CEEDHN C#CCN(C(=O)NC[C@@H](C)N(C)Cc1ccccc1)C1CC1 ZINC000274089099 330102993 /nfs/dbraw/zinc/10/29/93/330102993.db2.gz IEVKMUFULQPVCX-OAHLLOKOSA-N 0 3 299.418 2.314 20 30 CEEDHN C[C@@H]1CC[C@@H](O)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000422023172 330119528 /nfs/dbraw/zinc/11/95/28/330119528.db2.gz CTGWQBVQPARVMD-VNQPRFMTSA-N 0 3 286.375 2.131 20 30 CEEDHN CCCc1[nH]ccc1C(=O)C(C#N)c1ccncn1 ZINC000422121019 330125540 /nfs/dbraw/zinc/12/55/40/330125540.db2.gz NSTFOZLKMJMPHD-LLVKDONJSA-N 0 3 254.293 2.247 20 30 CEEDHN C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424066462 330219233 /nfs/dbraw/zinc/21/92/33/330219233.db2.gz SXRBSLJHFXCTBK-BXUZGUMPSA-N 0 3 277.343 2.366 20 30 CEEDHN CCCN(Cc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000424075937 330220751 /nfs/dbraw/zinc/22/07/51/330220751.db2.gz KNLRAWCGVMRTNW-OAHLLOKOSA-N 0 3 273.380 2.446 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(Br)cc1 ZINC000424078436 330221273 /nfs/dbraw/zinc/22/12/73/330221273.db2.gz PUPJGBSZIHJKOD-LLVKDONJSA-N 0 3 296.168 2.409 20 30 CEEDHN COc1ccc(F)cc1[C@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424091812 330225408 /nfs/dbraw/zinc/22/54/08/330225408.db2.gz FLMKFIVUXXAZFC-GWCFXTLKSA-N 0 3 293.342 2.033 20 30 CEEDHN CCS[C@@H]1CC[C@@H](N(C)CC(=O)NC2(C#N)CCC2)C1 ZINC000527135531 330225712 /nfs/dbraw/zinc/22/57/12/330225712.db2.gz IVLXCVQXGMSECL-CHWSQXEVSA-N 0 3 295.452 2.155 20 30 CEEDHN CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](N)CCCC#N ZINC000424095934 330226837 /nfs/dbraw/zinc/22/68/37/330226837.db2.gz XXJYNROXDLULOI-HNNXBMFYSA-N 0 3 289.379 2.065 20 30 CEEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1c(F)cccc1F ZINC000424099086 330231205 /nfs/dbraw/zinc/23/12/05/330231205.db2.gz LTDKZGQCUKYLMH-BXKDBHETSA-N 0 3 281.306 2.163 20 30 CEEDHN C[C@@H](CNC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1 ZINC000424101193 330233382 /nfs/dbraw/zinc/23/33/82/330233382.db2.gz JDWCVQIFTKEADM-SMDDNHRTSA-N 0 3 277.343 2.067 20 30 CEEDHN CC(C)Oc1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000424105847 330234298 /nfs/dbraw/zinc/23/42/98/330234298.db2.gz WVOFEHTXMALFIY-GFCCVEGCSA-N 0 3 275.352 2.433 20 30 CEEDHN CC(C)(CNC(=O)[C@H](N)CCCC#N)c1ccccc1F ZINC000424116625 330243625 /nfs/dbraw/zinc/24/36/25/330243625.db2.gz XQWPBKCOVJNENR-CQSZACIVSA-N 0 3 291.370 2.241 20 30 CEEDHN C[C@@H](CCC(C)(C)C)NC(=O)[C@@H](N)CCCC#N ZINC000424119739 330247703 /nfs/dbraw/zinc/24/77/03/330247703.db2.gz GEYPFBZVCAQFHM-RYUDHWBXSA-N 0 3 253.390 2.339 20 30 CEEDHN CC(C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424120397 330248944 /nfs/dbraw/zinc/24/89/44/330248944.db2.gz DTNQTMFFLKYPBT-MELADBBJSA-N 0 3 265.401 2.339 20 30 CEEDHN CC[C@@H]1CCCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424123532 330255732 /nfs/dbraw/zinc/25/57/32/330255732.db2.gz LBKWZKIFNYLXHM-OLZOCXBDSA-N 0 3 251.374 2.046 20 30 CEEDHN C#CCN(C)CCCNc1ncccc1Br ZINC000327974881 330258779 /nfs/dbraw/zinc/25/87/79/330258779.db2.gz HENCKKIBIXSLEL-UHFFFAOYSA-N 0 3 282.185 2.211 20 30 CEEDHN C[C@H](CNC(=O)[C@H](N)CCCC#N)Cc1cccs1 ZINC000424128897 330259921 /nfs/dbraw/zinc/25/99/21/330259921.db2.gz RPJMONLBHVNDGC-WCQYABFASA-N 0 3 279.409 2.064 20 30 CEEDHN CC1(C)CCC(NC(=O)[C@H](N)CCCC#N)CC1 ZINC000424129514 330260249 /nfs/dbraw/zinc/26/02/49/330260249.db2.gz SBNYDTYFPLXSJP-GFCCVEGCSA-N 0 3 251.374 2.093 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccccc1OCC1CC1 ZINC000424130641 330261474 /nfs/dbraw/zinc/26/14/74/330261474.db2.gz UCIZOHBQJQLOOO-ZDUSSCGKSA-N 0 3 287.363 2.435 20 30 CEEDHN CN(C)c1ccc(Cl)cc1NC(=O)[C@H](N)CCCC#N ZINC000424132904 330265113 /nfs/dbraw/zinc/26/51/13/330265113.db2.gz LFICHIIGWWSVDB-LLVKDONJSA-N 0 3 294.786 2.366 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCCCc1c[nH]c2ccccc12 ZINC000424140265 330280193 /nfs/dbraw/zinc/28/01/93/330280193.db2.gz NWPKVLFBDOQWFV-OAHLLOKOSA-N 0 3 298.390 2.238 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000424146601 330293238 /nfs/dbraw/zinc/29/32/38/330293238.db2.gz WVAWGGIPZDYDMA-CYBMUJFWSA-N 0 3 291.782 2.466 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000424159000 330305710 /nfs/dbraw/zinc/30/57/10/330305710.db2.gz RVTLXHIIZVJGTH-ZDUSSCGKSA-N 0 3 283.335 2.036 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1cnnn1Cc1ccccc1 ZINC000424175227 330315208 /nfs/dbraw/zinc/31/52/08/330315208.db2.gz TVNDYBKQQFHEOK-RDJZCZTQSA-N 0 3 298.390 2.007 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc2c(c1)OC(F)(F)O2 ZINC000424179161 330318543 /nfs/dbraw/zinc/31/85/43/330318543.db2.gz SNINVRJXFFPSHO-SNVBAGLBSA-N 0 3 271.263 2.035 20 30 CEEDHN CC(C)CC[C@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424179456 330318604 /nfs/dbraw/zinc/31/86/04/330318604.db2.gz YZLRVBDJYOXUHD-KGLIPLIRSA-N 0 3 265.401 2.435 20 30 CEEDHN C=CCn1cc(CN[C@H]2CCC[C@H]2CCCF)nn1 ZINC000424292798 330335262 /nfs/dbraw/zinc/33/52/62/330335262.db2.gz HJTPYOHRZVMVJI-JSGCOSHPSA-N 0 3 266.364 2.472 20 30 CEEDHN C=CCn1cc(CNC2C3CC4CC(C3)CC2C4)nn1 ZINC000424293251 330335335 /nfs/dbraw/zinc/33/53/35/330335335.db2.gz IGXQMVAJCNJFOV-UHFFFAOYSA-N 0 3 272.396 2.378 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(C(=O)OC)co1 ZINC000424299599 330336900 /nfs/dbraw/zinc/33/69/00/330336900.db2.gz VSAQDHHTRWFBBS-GVXVVHGQSA-N 0 3 279.336 2.308 20 30 CEEDHN C=CC[C@H](CO)CNCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000537022316 330385500 /nfs/dbraw/zinc/38/55/00/330385500.db2.gz HFLNJCGSXFDWRK-STQMWFEESA-N 0 3 291.391 2.293 20 30 CEEDHN C=C(C)CN1CCC(NCc2nccn2CC)CC1 ZINC000537303341 330431890 /nfs/dbraw/zinc/43/18/90/330431890.db2.gz NIGIXYIYDJJOIZ-UHFFFAOYSA-N 0 3 262.401 2.033 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC000437492746 330700925 /nfs/dbraw/zinc/70/09/25/330700925.db2.gz DGTMWSFBARIPIU-JYJNAYRXSA-N 0 3 294.439 2.348 20 30 CEEDHN Cn1cc(CN[C@H]2CC[C@@H](C#N)C2)c(C(F)(F)F)n1 ZINC000442821575 330785535 /nfs/dbraw/zinc/78/55/35/330785535.db2.gz BPZKBUANZJPLGT-SCZZXKLOSA-N 0 3 272.274 2.221 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(NC(C)=O)cc1 ZINC000449520451 330933542 /nfs/dbraw/zinc/93/35/42/330933542.db2.gz PORHENQPIMPAFE-CABCVRRESA-N 0 3 260.337 2.078 20 30 CEEDHN CN(C)C1(CN(C)C(=O)[C@]2(C#N)CC23CCCC3)CCC1 ZINC000451002838 331011284 /nfs/dbraw/zinc/01/12/84/331011284.db2.gz DLYBNXSKHOTOOO-QGZVFWFLSA-N 0 3 289.423 2.403 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN[C@H]1CCC12CCCC2)C1CC1 ZINC000451473708 331030861 /nfs/dbraw/zinc/03/08/61/331030861.db2.gz XCRIAWJNIJYXAF-ZFWWWQNUSA-N 0 3 275.396 2.107 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000451601220 331035898 /nfs/dbraw/zinc/03/58/98/331035898.db2.gz USTFWCLZPKJHSN-CLWVCHIJSA-N 0 3 288.391 2.185 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C(C)C)C1CCCC1 ZINC000451678116 331038789 /nfs/dbraw/zinc/03/87/89/331038789.db2.gz VWNJXYDMBIVGLF-CVEARBPZSA-N 0 3 294.439 2.489 20 30 CEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)[C@@]1(C#N)C[C@H]1C ZINC000452345347 331062906 /nfs/dbraw/zinc/06/29/06/331062906.db2.gz QPRDCTJWZJDVGJ-IJEWVQPXSA-N 0 3 277.412 2.163 20 30 CEEDHN CC(C#N)C(=O)NCCOc1ccc(Cl)c(F)c1 ZINC000452790589 331078031 /nfs/dbraw/zinc/07/80/31/331078031.db2.gz FSTGNWPITUPNNF-QMMMGPOBSA-N 0 3 270.691 2.134 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CC[C@@H](CO)C1 ZINC000452986466 331082900 /nfs/dbraw/zinc/08/29/00/331082900.db2.gz IOGNERNMVLKMIQ-PMPSAXMXSA-N 0 3 286.375 2.036 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000454283911 331143469 /nfs/dbraw/zinc/14/34/69/331143469.db2.gz CAACCWXDSWMNTR-KKUMJFAQSA-N 0 3 292.427 2.242 20 30 CEEDHN C[C@@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)N(C)C ZINC000454711996 331152079 /nfs/dbraw/zinc/15/20/79/331152079.db2.gz JVGRUJLPHUXIPJ-ZFWWWQNUSA-N 0 3 288.395 2.281 20 30 CEEDHN C=CCOc1ccc(CNC(=O)NC[C@H](C)N(C)C)cc1 ZINC000455059663 331159900 /nfs/dbraw/zinc/15/99/00/331159900.db2.gz ZNSDLHQHISEZDU-ZDUSSCGKSA-N 0 3 291.395 2.001 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000457552097 331226742 /nfs/dbraw/zinc/22/67/42/331226742.db2.gz BXOMICVXIXUCKR-ARFHVFGLSA-N 0 3 292.423 2.053 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)C1CN(C2CCCCC2)C1 ZINC000457727504 331232517 /nfs/dbraw/zinc/23/25/17/331232517.db2.gz BNWUIJQKRNKINV-ZDUSSCGKSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCCCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458715294 331257596 /nfs/dbraw/zinc/25/75/96/331257596.db2.gz CIOIYEDGJJJDQO-ZDUSSCGKSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458726013 331257955 /nfs/dbraw/zinc/25/79/55/331257955.db2.gz GOTNPIHGVNSBJU-KGLIPLIRSA-N 0 3 267.417 2.465 20 30 CEEDHN C=C(C)CCNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000459000152 331265542 /nfs/dbraw/zinc/26/55/42/331265542.db2.gz MFHWNGWYAQNPIB-CYBMUJFWSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCC[C@H](CCC)N[C@@H](CO)c1ccnn1C ZINC000459702002 331295079 /nfs/dbraw/zinc/29/50/79/331295079.db2.gz FOLUPLFIQXFSCW-STQMWFEESA-N 0 3 251.374 2.178 20 30 CEEDHN C=CCN(C)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000488902172 332032983 /nfs/dbraw/zinc/03/29/83/332032983.db2.gz OIWBROZZBRHQEL-BETUJISGSA-N 0 3 253.390 2.077 20 30 CEEDHN C#CCN1CCC(C(=O)NCCCC2CCCC2)CC1 ZINC000490574085 332092503 /nfs/dbraw/zinc/09/25/03/332092503.db2.gz CEEZNPPQFAMYCM-UHFFFAOYSA-N 0 3 276.424 2.418 20 30 CEEDHN C#C[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C(C)C ZINC000490635969 332098473 /nfs/dbraw/zinc/09/84/73/332098473.db2.gz KIWMHGFPEHMTMQ-ZIAGYGMSSA-N 0 3 250.386 2.023 20 30 CEEDHN C#CCN(C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)C1CCCC1 ZINC000490818765 332117554 /nfs/dbraw/zinc/11/75/54/332117554.db2.gz AUIRFQAHVPAKFG-XJKSGUPXSA-N 0 3 289.423 2.057 20 30 CEEDHN C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000491193405 332163627 /nfs/dbraw/zinc/16/36/27/332163627.db2.gz YXQWOSXMGOEWFO-DOTOQJQBSA-N 0 3 299.418 2.314 20 30 CEEDHN C#C[C@@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1F ZINC000491220104 332168495 /nfs/dbraw/zinc/16/84/95/332168495.db2.gz KIHIMMRDIAVDIP-PRHODGIISA-N 0 3 264.687 2.429 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CC3CCC2CC3)CC1 ZINC000491221320 332169019 /nfs/dbraw/zinc/16/90/19/332169019.db2.gz VOINMUCGABSWEI-ZBCRRDGASA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN(C)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000491232239 332171363 /nfs/dbraw/zinc/17/13/63/332171363.db2.gz ZPRXGODXFVGAEZ-MRXNPFEDSA-N 0 3 287.407 2.344 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](CC(F)F)c1ccccc1 ZINC000491305981 332186580 /nfs/dbraw/zinc/18/65/80/332186580.db2.gz LEYVTISDBDNDIS-ZDUSSCGKSA-N 0 3 280.318 2.112 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000491326326 332190290 /nfs/dbraw/zinc/19/02/90/332190290.db2.gz MBXKENFTALSLSE-HUUCEWRRSA-N 0 3 291.439 2.162 20 30 CEEDHN C#C[C@@H](NC1CCN(C(C)=O)CC1)c1ccc(F)cc1 ZINC000491350639 332195186 /nfs/dbraw/zinc/19/51/86/332195186.db2.gz OUSMFOTWTDQRLH-MRXNPFEDSA-N 0 3 274.339 2.101 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@](C)(CC)CCC ZINC000491404707 332205563 /nfs/dbraw/zinc/20/55/63/332205563.db2.gz DNZDZXCPRJIXLU-OAHLLOKOSA-N 0 3 252.402 2.274 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000491414569 332207441 /nfs/dbraw/zinc/20/74/41/332207441.db2.gz DBYQTERULRHSGK-WBVHZDCISA-N 0 3 299.418 2.314 20 30 CEEDHN C#CCN(CC[C@H]1CCNC1=O)[C@@H]1CCc2ccccc21 ZINC000491450947 332213377 /nfs/dbraw/zinc/21/33/77/332213377.db2.gz CRGBDUVBXLEVSZ-NVXWUHKLSA-N 0 3 282.387 2.135 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000491513769 332226271 /nfs/dbraw/zinc/22/62/71/332226271.db2.gz DXTWHLRSRRDAAJ-HUUCEWRRSA-N 0 3 287.407 2.170 20 30 CEEDHN CC(C#N)C(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000491568546 332239930 /nfs/dbraw/zinc/23/99/30/332239930.db2.gz NGWBFRJEVWOZAS-NSHDSACASA-N 0 3 295.383 2.004 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cnc(C(C)(C)C)s1 ZINC000491652385 332265213 /nfs/dbraw/zinc/26/52/13/332265213.db2.gz LXFQGJNZKFONHF-UHFFFAOYSA-N 0 3 293.436 2.126 20 30 CEEDHN C#CCN(C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000491725467 332309593 /nfs/dbraw/zinc/30/95/93/332309593.db2.gz BLEPHIBLERTENX-LBPRGKRZSA-N 0 3 271.282 2.174 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](C)CC(C)(C)C)CC1 ZINC000491772063 332338381 /nfs/dbraw/zinc/33/83/81/332338381.db2.gz PSORVFUZQUTFFD-ZDUSSCGKSA-N 0 3 264.413 2.273 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc2c(c1)CCC=C2 ZINC000491775375 332341186 /nfs/dbraw/zinc/34/11/86/332341186.db2.gz FFIFSMHKLOUFCL-UHFFFAOYSA-N 0 3 282.387 2.331 20 30 CEEDHN C#C[C@H](C)N(C)CCC(=O)Nc1ccc(OCC)cc1 ZINC000491785975 332348622 /nfs/dbraw/zinc/34/86/22/332348622.db2.gz SZPRFADCAFNSGA-ZDUSSCGKSA-N 0 3 274.364 2.367 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000491805631 332359182 /nfs/dbraw/zinc/35/91/82/332359182.db2.gz OUVSSJODYMNMMA-OAGGEKHMSA-N 0 3 291.439 2.304 20 30 CEEDHN C#C[C@@H](CC)N[C@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000491810068 332362811 /nfs/dbraw/zinc/36/28/11/332362811.db2.gz ZSVFVPBAIMYUFM-OLZOCXBDSA-N 0 3 274.364 2.414 20 30 CEEDHN C=CCC1(NC(=O)/C=C/CN(C)C)CCCCC1 ZINC000493030456 332423583 /nfs/dbraw/zinc/42/35/83/332423583.db2.gz WFMKTGOHEUUPIS-CMDGGOBGSA-N 0 3 250.386 2.499 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC2(C)C)CC1 ZINC000174946519 333011445 /nfs/dbraw/zinc/01/14/45/333011445.db2.gz FNMZLLJTSLDTJY-CQSZACIVSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN(C(=O)NC1CCN(CC=C)CC1)C1CCCC1 ZINC000176388056 333041687 /nfs/dbraw/zinc/04/16/87/333041687.db2.gz NKXPFQBCKLXBTP-UHFFFAOYSA-N 0 3 289.423 2.224 20 30 CEEDHN C#CCN(CCn1cnc2ccccc2c1=O)C1CCCC1 ZINC000176387542 333041729 /nfs/dbraw/zinc/04/17/29/333041729.db2.gz HRFIJAKVNYPGBO-UHFFFAOYSA-N 0 3 295.386 2.274 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]2SCC)CC1 ZINC000178103555 333067849 /nfs/dbraw/zinc/06/78/49/333067849.db2.gz KXTSYPACMKPGSW-LSDHHAIUSA-N 0 3 294.464 2.122 20 30 CEEDHN C#C[C@H](NC[C@@H](O)COCc1ccc(Cl)cc1)C(C)C ZINC000312157128 333077633 /nfs/dbraw/zinc/07/76/33/333077633.db2.gz ITUIOQDOVPIHRO-CVEARBPZSA-N 0 3 295.810 2.465 20 30 CEEDHN C=CC1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000192523964 333236063 /nfs/dbraw/zinc/23/60/63/333236063.db2.gz RLPYVVBRQCFOQZ-UHFFFAOYSA-N 0 3 262.397 2.285 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@H]2CCCC[C@@H]2C)CC1 ZINC000194409748 333270848 /nfs/dbraw/zinc/27/08/48/333270848.db2.gz USMSWZLVRCFAMF-GOEBONIOSA-N 0 3 276.424 2.274 20 30 CEEDHN COc1cccc(C[C@H]2CCCN2C(=O)C(C)C#N)c1 ZINC000522983873 333303100 /nfs/dbraw/zinc/30/31/00/333303100.db2.gz OOGKRGSEVRVYNI-TZMCWYRMSA-N 0 3 272.348 2.388 20 30 CEEDHN C#C[C@H](CC)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000229875425 333310408 /nfs/dbraw/zinc/31/04/08/333310408.db2.gz VBMSINIMUMEPBK-CHWSQXEVSA-N 0 3 266.385 2.387 20 30 CEEDHN C=CCN(CCc1ccco1)C(=O)CN1CC[C@@H](C)C1 ZINC000576000702 335140254 /nfs/dbraw/zinc/14/02/54/335140254.db2.gz IQOOZLKMUFVISN-CQSZACIVSA-N 0 3 276.380 2.179 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](CC)c2nccs2)CC1 ZINC000131382832 333933116 /nfs/dbraw/zinc/93/31/16/333933116.db2.gz YNHNJEQIRCYARM-ZDUSSCGKSA-N 0 3 291.420 2.056 20 30 CEEDHN C=CCOCCCC(=O)N(CC)C[C@@H]1CCCN1CC ZINC000547475684 334091652 /nfs/dbraw/zinc/09/16/52/334091652.db2.gz QDLIOUXLJDTDKW-HNNXBMFYSA-N 0 3 282.428 2.302 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000135089894 334115012 /nfs/dbraw/zinc/11/50/12/334115012.db2.gz RDTXIOMNWNOIGF-IPYPFGDCSA-N 0 3 250.386 2.284 20 30 CEEDHN CN(C)C(=O)C(C)(C)NCc1ccccc1C(C)(C)C#N ZINC000135219680 334120078 /nfs/dbraw/zinc/12/00/78/334120078.db2.gz BCJKTJZHGOYGRB-UHFFFAOYSA-N 0 3 287.407 2.444 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCC#CC)C(C)C ZINC000136030606 334144604 /nfs/dbraw/zinc/14/46/04/334144604.db2.gz UMAOFTGEUAELBF-OAHLLOKOSA-N 0 3 277.412 2.008 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000136247342 334150600 /nfs/dbraw/zinc/15/06/00/334150600.db2.gz JLIWHODIFVEFPG-DZGCQCFKSA-N 0 3 263.385 2.013 20 30 CEEDHN C=CCOCCN(C)Cc1ccc2c(c1)OCCO2 ZINC000549338333 334190238 /nfs/dbraw/zinc/19/02/38/334190238.db2.gz UDLZIJWQBLOUSN-UHFFFAOYSA-N 0 3 263.337 2.092 20 30 CEEDHN C[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C[C@@H](C)C1 ZINC000246731763 334268482 /nfs/dbraw/zinc/26/84/82/334268482.db2.gz OUATXPBOUOEUTN-DVOMOZLQSA-N 0 3 277.412 2.163 20 30 CEEDHN C=C[C@](C)(CC)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000248968526 334323329 /nfs/dbraw/zinc/32/33/29/334323329.db2.gz SDZSFHBBIKLTMP-UKRRQHHQSA-N 0 3 252.402 2.437 20 30 CEEDHN CCC[C@H](C#N)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000573091341 334907368 /nfs/dbraw/zinc/90/73/68/334907368.db2.gz MUWFPYOYOQKDJG-HUUCEWRRSA-N 0 3 273.380 2.488 20 30 CEEDHN CC[C@H](CNc1ccccc1)NC(=O)[C@@H](N)CCCC#N ZINC000577749732 335396918 /nfs/dbraw/zinc/39/69/18/335396918.db2.gz QRWURWDLURNIKI-HIFRSBDPSA-N 0 3 288.395 2.014 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000347042368 534282830 /nfs/dbraw/zinc/28/28/30/534282830.db2.gz VAIPAVNXOYXOBI-YUELXQCFSA-N 0 3 272.348 2.430 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@](C)(C=C)CC)CC1 ZINC000188454680 518860067 /nfs/dbraw/zinc/86/00/67/518860067.db2.gz UTBGCBCGBJMIJX-HNNXBMFYSA-N 0 3 250.386 2.355 20 30 CEEDHN C=CCS(=O)(=O)CC[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000279970062 519074067 /nfs/dbraw/zinc/07/40/67/519074067.db2.gz CXAIUUYGVGBWKY-CQSZACIVSA-N 0 3 297.420 2.342 20 30 CEEDHN CCCN1CCCN(c2nc(C)ccc2C#N)CC1 ZINC000161412781 519852361 /nfs/dbraw/zinc/85/23/61/519852361.db2.gz IBWBFWRIJUKOIS-UHFFFAOYSA-N 0 3 258.369 2.184 20 30 CEEDHN N#CCCCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418001511 534607696 /nfs/dbraw/zinc/60/76/96/534607696.db2.gz KTSUXAOZECHJMT-MRXNPFEDSA-N 0 3 296.374 2.443 20 30 CEEDHN N#CCc1cccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000334982419 534732382 /nfs/dbraw/zinc/73/23/82/534732382.db2.gz MZGTXLPUYYGMGL-INIZCTEOSA-N 0 3 296.374 2.231 20 30 CEEDHN COC(=O)[C@@]12CCC[C@@H]1CN(Cc1ccc(C#N)cc1)C2 ZINC000363685742 523845164 /nfs/dbraw/zinc/84/51/64/523845164.db2.gz BUEZXFNDIMDRBU-NVXWUHKLSA-N 0 3 284.359 2.333 20 30 CEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2sccc2C#N)C1 ZINC000157139644 523975193 /nfs/dbraw/zinc/97/51/93/523975193.db2.gz YWYWKHLPCJUDIQ-CHWSQXEVSA-N 0 3 289.404 2.176 20 30 CEEDHN [O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+]CC1(C2CC2)CCC1 ZINC000330196009 534750883 /nfs/dbraw/zinc/75/08/83/534750883.db2.gz POBOXDDJRIVXED-CYBMUJFWSA-N 0 3 288.395 2.282 20 30 CEEDHN N#CCCCN1CCCN(Cc2ccccc2)CC1 ZINC000054992936 526446673 /nfs/dbraw/zinc/44/66/73/526446673.db2.gz RDGFRQRWZMNODD-UHFFFAOYSA-N 0 3 257.381 2.498 20 30 CEEDHN C=CCN1CC[C@@H](N[C@@H](CC)CC(F)(F)F)C1=O ZINC000352824087 526483562 /nfs/dbraw/zinc/48/35/62/526483562.db2.gz FSKBAVWRRQKTPU-VHSXEESVSA-N 0 3 264.291 2.094 20 30 CEEDHN C=C(C)CN(CCc1ccnn1C)Cc1ccc(CO)o1 ZINC000352803937 526552655 /nfs/dbraw/zinc/55/26/55/526552655.db2.gz OXUBBKJMNHLBJD-UHFFFAOYSA-N 0 3 289.379 2.126 20 30 CEEDHN C=C(C)CNCc1cc2c(cc1OCCOC)OCO2 ZINC000352864901 526625603 /nfs/dbraw/zinc/62/56/03/526625603.db2.gz CCRQGXYWPNANFW-UHFFFAOYSA-N 0 3 279.336 2.106 20 30 CEEDHN N#Cc1cccc(NC(=O)CN2CCC[C@@H]2C2CC2)c1 ZINC000363383762 526716989 /nfs/dbraw/zinc/71/69/89/526716989.db2.gz AJZLZGYRLMPKCI-OAHLLOKOSA-N 0 3 269.348 2.371 20 30 CEEDHN C=CC1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000336491362 526962636 /nfs/dbraw/zinc/96/26/36/526962636.db2.gz VBWQEEODZRYXRN-BETUJISGSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCc1cc(CN[C@H]2C[C@@](C)(O)C2)cc(OC)c1O ZINC000418104466 527243719 /nfs/dbraw/zinc/24/37/19/527243719.db2.gz AEQRJTAEMUXRMN-AKAXFMLLSA-N 0 3 277.364 2.132 20 30 CEEDHN CC(C)(C#N)CCCN1CCC[C@H](c2ccnc(N)n2)C1 ZINC000366880259 527464065 /nfs/dbraw/zinc/46/40/65/527464065.db2.gz KYKCWXKVGQZABX-ZDUSSCGKSA-N 0 3 287.411 2.399 20 30 CEEDHN C=CCN(CC(F)(F)F)C(=O)CC1CCN(C)CC1 ZINC000347046197 527585547 /nfs/dbraw/zinc/58/55/47/527585547.db2.gz UNISXBICLTZOKM-UHFFFAOYSA-N 0 3 278.318 2.295 20 30 CEEDHN CCN(CC#Cc1cccc(Cl)c1)C[C@H](C)O ZINC000352195564 527879095 /nfs/dbraw/zinc/87/90/95/527879095.db2.gz RQBINVFYOJPYFT-LBPRGKRZSA-N 0 3 251.757 2.394 20 30 CEEDHN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)C(C)C#N ZINC000344569270 528124174 /nfs/dbraw/zinc/12/41/74/528124174.db2.gz FWCFZXHVOZNYQQ-QWHCGFSZSA-N 0 3 288.347 2.225 20 30 CEEDHN CCCN(Cc1ccc(C#N)cc1)[C@H]1CCCNC1=O ZINC000411163387 528134540 /nfs/dbraw/zinc/13/45/40/528134540.db2.gz FHXKABHYXODVPY-HNNXBMFYSA-N 0 3 271.364 2.049 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329118292 528219019 /nfs/dbraw/zinc/21/90/19/528219019.db2.gz OJAIMEMFQROROZ-FMKPAKJESA-N 0 3 296.411 2.155 20 30 CEEDHN CCCOCc1ccccc1CNC(=O)C(C)C#N ZINC000347060479 528596993 /nfs/dbraw/zinc/59/69/93/528596993.db2.gz CLXISKQDEXUHND-GFCCVEGCSA-N 0 3 260.337 2.389 20 30 CEEDHN CCOC(=O)CCCN(C)Cc1cccc(C#N)c1 ZINC000102397081 528698248 /nfs/dbraw/zinc/69/82/48/528698248.db2.gz NAJLKQJEPWMEPK-UHFFFAOYSA-N 0 3 260.337 2.333 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)CCc2cnccn2)C1 ZINC000330096479 528934500 /nfs/dbraw/zinc/93/45/00/528934500.db2.gz XLIJAGAAHJMXSN-UHFFFAOYSA-N 0 3 290.411 2.488 20 30 CEEDHN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1CCCCC#N ZINC000350479364 529285608 /nfs/dbraw/zinc/28/56/08/529285608.db2.gz OERMIEOFBRYBPZ-GJZGRUSLSA-N 0 3 265.401 2.402 20 30 CEEDHN CC[C@H](CN1CCN(CC#N)CC1)c1ccccc1 ZINC000353142453 529335686 /nfs/dbraw/zinc/33/56/86/529335686.db2.gz FRFVNCDOPQEQPO-OAHLLOKOSA-N 0 3 257.381 2.321 20 30 CEEDHN CN1CC[C@@H](NC(=S)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000726476026 574426738 /nfs/dbraw/zinc/42/67/38/574426738.db2.gz DORRLSIDZXSBEV-LLVKDONJSA-N 0 3 294.811 2.202 20 30 CEEDHN COCCON=Cc1ccc(OCCN2CCCC2)cc1 ZINC000748789394 574440872 /nfs/dbraw/zinc/44/08/72/574440872.db2.gz GQNYJLAVBUFPPY-UHFFFAOYSA-N 0 3 292.379 2.158 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)nc1 ZINC000728801303 574470263 /nfs/dbraw/zinc/47/02/63/574470263.db2.gz WUKRBVIXFNFNSH-QGZVFWFLSA-N 0 3 293.370 2.096 20 30 CEEDHN c1ccc(OCCCNN=C2CN3CCC2CC3)cc1 ZINC000729148109 574480724 /nfs/dbraw/zinc/48/07/24/574480724.db2.gz SUZLXRLUIMDXQY-UHFFFAOYSA-N 0 3 273.380 2.127 20 30 CEEDHN C=C(CN(C)C)C(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000764537223 574598825 /nfs/dbraw/zinc/59/88/25/574598825.db2.gz AAMXWPYWCDQVBS-MCIONIFRSA-N 0 3 250.386 2.284 20 30 CEEDHN C=C(CN(C)C)C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000764622863 574600318 /nfs/dbraw/zinc/60/03/18/574600318.db2.gz FBXKXPHOSVTAET-UHFFFAOYSA-N 0 3 276.424 2.293 20 30 CEEDHN CC(C)(C)[C@H](O)CN1CCN(c2ccc(C#N)cc2)CC1 ZINC000732042210 574610792 /nfs/dbraw/zinc/61/07/92/574610792.db2.gz MNJAQGNSWBVWDL-MRXNPFEDSA-N 0 3 287.407 2.087 20 30 CEEDHN C#CCOc1ccccc1CN1CCN(CCC)CC1 ZINC000732595548 574624124 /nfs/dbraw/zinc/62/41/24/574624124.db2.gz RISKWJHNCLVNIJ-UHFFFAOYSA-N 0 3 272.392 2.226 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cnn(C)c3)nc21 ZINC000735788340 574766639 /nfs/dbraw/zinc/76/66/39/574766639.db2.gz DWHSZKDYJCFNHH-GFCCVEGCSA-N 0 3 293.330 2.024 20 30 CEEDHN C=C(Cl)CNC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000736400006 574786248 /nfs/dbraw/zinc/78/62/48/574786248.db2.gz HPCCGCXUHVYYOI-VXGBXAGGSA-N 0 3 273.808 2.301 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000736674462 574794215 /nfs/dbraw/zinc/79/42/15/574794215.db2.gz TVDAPTVKYZNDKD-GZMMTYOYSA-N 0 3 286.253 2.015 20 30 CEEDHN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)C(C)C#N)C1 ZINC000736673008 574794401 /nfs/dbraw/zinc/79/44/01/574794401.db2.gz SLNFJCCLJPQUPJ-ZIAGYGMSSA-N 0 3 293.411 2.081 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000740737946 574967102 /nfs/dbraw/zinc/96/71/02/574967102.db2.gz ZXJLWIFVDSXBOI-UHFFFAOYSA-N 0 3 276.405 2.274 20 30 CEEDHN CCCCCCCN1CCN(C(=O)CN2CCCC2)CC1 ZINC000740876881 574970795 /nfs/dbraw/zinc/97/07/95/574970795.db2.gz MEOWWZBGJDRHJP-UHFFFAOYSA-N 0 3 295.471 2.197 20 30 CEEDHN C[C@@H]1CCCC[C@H]1NC(=S)NN=C1CCN(C)[C@@H](C)C1 ZINC000741457528 574987246 /nfs/dbraw/zinc/98/72/46/574987246.db2.gz VZSNCBOKPJJTNK-MBNYWOFBSA-N 0 3 296.484 2.499 20 30 CEEDHN C[C@@H]1CC(=NNC(=S)NC2CCCCC2)CCN1C ZINC000741459062 574987851 /nfs/dbraw/zinc/98/78/51/574987851.db2.gz YHFSINDGOCMOSY-LLVKDONJSA-N 0 3 282.457 2.253 20 30 CEEDHN CN1CCC2(CCN2C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000742185648 575008656 /nfs/dbraw/zinc/00/86/56/575008656.db2.gz JRSYVDJWNSPSOH-UHFFFAOYSA-N 0 3 297.402 2.188 20 30 CEEDHN C#CCCN1CCC(NC(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC000743493071 575105386 /nfs/dbraw/zinc/10/53/86/575105386.db2.gz GTJFHPKTARWYFW-AWEZNQCLSA-N 0 3 288.391 2.295 20 30 CEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1Cc2ccccc21 ZINC000744038458 575112432 /nfs/dbraw/zinc/11/24/32/575112432.db2.gz VMISGEZWNPJIIW-GJZGRUSLSA-N 0 3 282.343 2.094 20 30 CEEDHN Cc1ccc(CCC(=O)C(C#N)C(=O)Nc2ccccn2)o1 ZINC000747105614 575167268 /nfs/dbraw/zinc/16/72/68/575167268.db2.gz FEVPDFGPGKFOTM-CYBMUJFWSA-N 0 3 297.314 2.263 20 30 CEEDHN CNC(=S)NN=C1CCCC[C@@H]1N1CCCCCC1 ZINC000749807294 575234673 /nfs/dbraw/zinc/23/46/73/575234673.db2.gz NNLCACNUVCDCGF-ZDUSSCGKSA-N 0 3 282.457 2.255 20 30 CEEDHN C#CCOc1ccc(NC(=O)CC2CCN(C)CC2)cc1 ZINC000753817807 575344003 /nfs/dbraw/zinc/34/40/03/575344003.db2.gz LSRIULVJBROYHL-UHFFFAOYSA-N 0 3 286.375 2.369 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967917313 613014609 /nfs/dbraw/zinc/01/46/09/613014609.db2.gz GIPLPTXZSOWJHY-UKRRQHHQSA-N 0 3 276.424 2.273 20 30 CEEDHN C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895159368 629976743 /nfs/dbraw/zinc/97/67/43/629976743.db2.gz FSDRKAPXSSQWGF-DTWKUNHWSA-N 0 3 268.279 2.077 20 30 CEEDHN C=CCCC[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823894008 608488047 /nfs/dbraw/zinc/48/80/47/608488047.db2.gz DNTMEHATZODXDB-NSHDSACASA-N 0 3 257.341 2.484 20 30 CEEDHN C=CCCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823894008 608488049 /nfs/dbraw/zinc/48/80/49/608488049.db2.gz DNTMEHATZODXDB-NSHDSACASA-N 0 3 257.341 2.484 20 30 CEEDHN C=C(C)C[N@@H+](CC)Cc1cc(-c2nnn[n-]2)cs1 ZINC000823877928 608497352 /nfs/dbraw/zinc/49/73/52/608497352.db2.gz KEYSRZAJCIOVDX-UHFFFAOYSA-N 0 3 263.370 2.326 20 30 CEEDHN C=C(C)C[N@H+](CC)Cc1cc(-c2nnn[n-]2)cs1 ZINC000823877928 608497353 /nfs/dbraw/zinc/49/73/53/608497353.db2.gz KEYSRZAJCIOVDX-UHFFFAOYSA-N 0 3 263.370 2.326 20 30 CEEDHN C#CCCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823841009 608513970 /nfs/dbraw/zinc/51/39/70/608513970.db2.gz HNCDUDBQUKCWJW-HNNXBMFYSA-N 0 3 281.363 2.247 20 30 CEEDHN C#CCCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823841009 608513972 /nfs/dbraw/zinc/51/39/72/608513972.db2.gz HNCDUDBQUKCWJW-HNNXBMFYSA-N 0 3 281.363 2.247 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C(CC)(CC)CC)C1 ZINC000970351107 612959900 /nfs/dbraw/zinc/95/99/00/612959900.db2.gz WUUSJPYEQFACOR-CYBMUJFWSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C(C)(C)Cc2ccccc2)C1 ZINC000970425310 612959982 /nfs/dbraw/zinc/95/99/82/612959982.db2.gz HLOWYQNDNJGRID-MRXNPFEDSA-N 0 3 284.403 2.079 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000969493333 612960473 /nfs/dbraw/zinc/96/04/73/612960473.db2.gz ONVHREAGRJJWTN-OAHLLOKOSA-N 0 3 290.794 2.096 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)Cc2c(C)cccc2Cl)C1 ZINC000969203108 612961204 /nfs/dbraw/zinc/96/12/04/612961204.db2.gz WXAFGDCIXWJVCI-CYBMUJFWSA-N 0 3 290.794 2.015 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@H]2CCCCC2(C)C)C1 ZINC000970831755 612963267 /nfs/dbraw/zinc/96/32/67/612963267.db2.gz ZECJJRFFCBMELV-ZIAGYGMSSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@H]2CCCCc3ccccc32)C1 ZINC000970822629 612963745 /nfs/dbraw/zinc/96/37/45/612963745.db2.gz UPJSSOCFKSSWRS-AEFFLSMTSA-N 0 3 296.414 2.320 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000970561958 612964633 /nfs/dbraw/zinc/96/46/33/612964633.db2.gz HDSUFLDUNQUJIA-CYBMUJFWSA-N 0 3 297.185 2.431 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccccc2C(C)(C)C)C1 ZINC000969029103 612966301 /nfs/dbraw/zinc/96/63/01/612966301.db2.gz FQDRXTBPNMPGER-CQSZACIVSA-N 0 3 284.403 2.421 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(C3CC3)cn2)C1 ZINC000970820781 612995154 /nfs/dbraw/zinc/99/51/54/612995154.db2.gz BMJYPPJKZSDPBF-CYBMUJFWSA-N 0 3 297.402 2.032 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccccc2C)C1 ZINC000969231090 612995489 /nfs/dbraw/zinc/99/54/89/612995489.db2.gz SMNQOUNRKKMEHC-CQSZACIVSA-N 0 3 270.376 2.068 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC000970296701 612996608 /nfs/dbraw/zinc/99/66/08/612996608.db2.gz XMTQUFSBUSSSQR-ZFWWWQNUSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H]2CCCC2(C)C)C1 ZINC000970296697 612996704 /nfs/dbraw/zinc/99/67/04/612996704.db2.gz XMTQUFSBUSSSQR-DZGCQCFKSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(CC)cc2)C1 ZINC000970832432 612997370 /nfs/dbraw/zinc/99/73/70/612997370.db2.gz HSQYBWJKEYYCKT-AWEZNQCLSA-N 0 3 284.403 2.322 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2sc(C)cc2C)C1 ZINC000969750168 612998528 /nfs/dbraw/zinc/99/85/28/612998528.db2.gz RRGCDWSCBFPBMW-ZDUSSCGKSA-N 0 3 290.432 2.438 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000981783571 613003497 /nfs/dbraw/zinc/00/34/97/613003497.db2.gz LFBKOMJWRUDULB-HNNXBMFYSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc3occc3[nH]2)C1 ZINC000966488487 613014138 /nfs/dbraw/zinc/01/41/38/613014138.db2.gz HWCZZUUPQZPMDQ-DOMZBBRYSA-N 0 3 299.374 2.224 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC000967081927 613015561 /nfs/dbraw/zinc/01/55/61/613015561.db2.gz DDAQVXXZYMAAIT-RHSMWYFYSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC000968485332 613022910 /nfs/dbraw/zinc/02/29/10/613022910.db2.gz ZLDBVIJDUWUPTK-GUYCJALGSA-N 0 3 299.418 2.356 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2c(C)cncc2C)C(C)(C)C1 ZINC000974818449 613032286 /nfs/dbraw/zinc/03/22/86/613032286.db2.gz IZKQYBIWAUDPRI-OAHLLOKOSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)[C@@H]2CC23CCC3)C(C)(C)C1 ZINC000975103654 613037467 /nfs/dbraw/zinc/03/74/67/613037467.db2.gz LHEAWOXCQGGMBT-KBPBESRZSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cccc(F)c2)CC1 ZINC000948151570 613179787 /nfs/dbraw/zinc/17/97/87/613179787.db2.gz DARABSMKBFSJGF-INIZCTEOSA-N 0 3 288.366 2.385 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C23CCC(CC2)C3)[C@@H](C)C1 ZINC000942183740 613223357 /nfs/dbraw/zinc/22/33/57/613223357.db2.gz LEPBDEONSVJMDC-UJEKJILKSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)Cc2cccc(C)c2)C[C@H]1C ZINC000947663013 613226470 /nfs/dbraw/zinc/22/64/70/613226470.db2.gz 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ZINC001006701783 628610368 /nfs/dbraw/zinc/61/03/68/628610368.db2.gz FIWBOZNVAWQVTB-CABCVRRESA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCOCCCCOC(=O)C1CCN(C2CC2)CC1 ZINC000893473374 628642229 /nfs/dbraw/zinc/64/22/29/628642229.db2.gz JLZXNCMTCSKBDP-UHFFFAOYSA-N 0 3 281.396 2.387 20 30 CEEDHN Cc1cc(F)c(C#N)cc1NC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000932246601 628989193 /nfs/dbraw/zinc/98/91/93/628989193.db2.gz NZNMORHOBCIHTB-ZWNOBZJWSA-N 0 3 290.342 2.220 20 30 CEEDHN Cc1ncoc1CNC1CCN(c2ccc(C#N)cn2)CC1 ZINC000894219941 629233414 /nfs/dbraw/zinc/23/34/14/629233414.db2.gz HVSSCFNSWLACMS-UHFFFAOYSA-N 0 3 297.362 2.008 20 30 CEEDHN CC[C@H](C)NN=Cc1c(C)nn(-c2ccccc2)c1N ZINC000794939451 629366327 /nfs/dbraw/zinc/36/63/27/629366327.db2.gz IWGRFGUXACCQRG-NSHDSACASA-N 0 3 271.368 2.485 20 30 CEEDHN C=CCNN=C(C)c1ccc(N2CCOCC2)cc1 ZINC000794998258 629398113 /nfs/dbraw/zinc/39/81/13/629398113.db2.gz HKUKFGDIUKTEDX-UHFFFAOYSA-N 0 3 259.353 2.023 20 30 CEEDHN CN(C(=O)NCC1CCC(C#N)CC1)[C@H]1CCCN(C)C1 ZINC000894595594 629555112 /nfs/dbraw/zinc/55/51/12/629555112.db2.gz MMJPUPBYHKLDHZ-NRXISQOPSA-N 0 3 292.427 2.052 20 30 CEEDHN C#C[C@H](CC)NCc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC000894737730 629612850 /nfs/dbraw/zinc/61/28/50/629612850.db2.gz FWACXOLHHKWIPA-LLVKDONJSA-N 0 3 262.353 2.426 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)CCN1C ZINC000928445604 629681552 /nfs/dbraw/zinc/68/15/52/629681552.db2.gz ZLYSXQFKTBYGGO-NOZJJQNGSA-N 0 3 277.755 2.034 20 30 CEEDHN CN(C)CC#CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000894876814 629711468 /nfs/dbraw/zinc/71/14/68/629711468.db2.gz SNDSQPXYUJCURK-UHFFFAOYSA-N 0 3 284.319 2.120 20 30 CEEDHN CC[C@H](CC#N)NC1CCN(CC(F)(F)F)CC1 ZINC000054183826 629876642 /nfs/dbraw/zinc/87/66/42/629876642.db2.gz IYEKYZWSMBSGSY-SNVBAGLBSA-N 0 3 263.307 2.295 20 30 CEEDHN C#Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cc1 ZINC000895095689 629890529 /nfs/dbraw/zinc/89/05/29/629890529.db2.gz HYTYKXZXFGXYCH-SJORKVTESA-N 0 3 297.402 2.046 20 30 CEEDHN CN1CCN(c2ccc(C#N)cn2)C[C@@H]1C(C)(C)C ZINC000895100233 629895276 /nfs/dbraw/zinc/89/52/76/629895276.db2.gz SGHHYNIIKJPYII-CYBMUJFWSA-N 0 3 258.369 2.120 20 30 CEEDHN CC[C@H](C)[C@H](OC)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000796635270 629951599 /nfs/dbraw/zinc/95/15/99/629951599.db2.gz YIKVOJSMWHWJMJ-WHOFXGATSA-N 0 3 288.347 2.395 20 30 CEEDHN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000796635267 629952235 /nfs/dbraw/zinc/95/22/35/629952235.db2.gz YIKVOJSMWHWJMJ-CORIIIEPSA-N 0 3 288.347 2.395 20 30 CEEDHN C=CCCCCC[C@H](C)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895157616 629973676 /nfs/dbraw/zinc/97/36/76/629973676.db2.gz CZJCCVZXJOBXFH-QWHCGFSZSA-N 0 3 254.374 2.481 20 30 CEEDHN C[C@H](CCC1CCCC1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895158986 629977372 /nfs/dbraw/zinc/97/73/72/629977372.db2.gz AZPQTVADIPJSOU-DGCLKSJQSA-N 0 3 254.374 2.315 20 30 CEEDHN COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCCN([O-])C2=O)cc1 ZINC000895160671 629978260 /nfs/dbraw/zinc/97/82/60/629978260.db2.gz OGPYDGIKGHRCRW-JMSVASOKSA-N 0 3 292.379 2.157 20 30 CEEDHN O=C1[C@H]([NH2+][C@H]2CCC[C@H]2c2ccccc2)CCCN1[O-] ZINC000895161822 629980851 /nfs/dbraw/zinc/98/08/51/629980851.db2.gz URRVIEOZRZHQAR-SOUVJXGZSA-N 0 3 274.364 2.293 20 30 CEEDHN C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895161849 629981032 /nfs/dbraw/zinc/98/10/32/629981032.db2.gz IBCJWJKKGKSSEL-BXUZGUMPSA-N 0 3 280.343 2.117 20 30 CEEDHN C=CCCCC[C@@H](C)N[C@@H](C)C1N=NC(=O)N1C ZINC000895171952 629997254 /nfs/dbraw/zinc/99/72/54/629997254.db2.gz NITBJJYCXDGWJJ-MNOVXSKESA-N 0 3 252.362 2.306 20 30 CEEDHN C#C[C@H](N[C@H]1CCc2cccnc21)C1CCOCC1 ZINC000895333061 630115871 /nfs/dbraw/zinc/11/58/71/630115871.db2.gz WKMLJWRWORSIHV-GJZGRUSLSA-N 0 3 256.349 2.087 20 30 CEEDHN CCN(CCO)c1ccc(C=NOCCCOC)c(C)c1 ZINC000795055203 630127994 /nfs/dbraw/zinc/12/79/94/630127994.db2.gz GQZXBCCMSDRAOQ-UHFFFAOYSA-N 0 3 294.395 2.201 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NCC(=O)N2CCc3ccccc32)C1 ZINC000895486747 630215759 /nfs/dbraw/zinc/21/57/59/630215759.db2.gz IBQBEVQNFVHOCJ-HIFRSBDPSA-N 0 3 283.375 2.248 20 30 CEEDHN C#CCCOc1ccc(CN2CCC(O)(CC#C)CC2)cc1 ZINC000895675981 630296188 /nfs/dbraw/zinc/29/61/88/630296188.db2.gz XJPFJWKCZZHNEC-UHFFFAOYSA-N 0 3 297.398 2.439 20 30 CEEDHN CC[C@H](N[C@@H]1CCCCNC1=O)c1cccc(C#N)c1 ZINC000902738606 634803534 /nfs/dbraw/zinc/80/35/34/634803534.db2.gz FKVBVWSEKVSDJM-LSDHHAIUSA-N 0 3 271.364 2.268 20 30 CEEDHN C[C@H]1[C@@H](Nc2cc(F)c(C#N)cc2[N+](=O)[O-])CCN1C ZINC000895737219 630326430 /nfs/dbraw/zinc/32/64/30/630326430.db2.gz NIWXNEKFUTWSGY-KWQFWETISA-N 0 3 278.287 2.110 20 30 CEEDHN CN(C(=O)NCC1(C#N)CCCCC1)[C@H]1CCCN(C)C1 ZINC000895830279 630369435 /nfs/dbraw/zinc/36/94/35/630369435.db2.gz XMZLRTGYOZWSPH-AWEZNQCLSA-N 0 3 292.427 2.196 20 30 CEEDHN C=CCC1(O)CCN(Cc2cn(C)nc2C2CC2)CC1 ZINC000896058342 630450912 /nfs/dbraw/zinc/45/09/12/630450912.db2.gz NUNCATVGVWEXQI-UHFFFAOYSA-N 0 3 275.396 2.201 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cccc(OC)c1F ZINC000883400429 630540347 /nfs/dbraw/zinc/54/03/47/630540347.db2.gz MIRRGBIFVGFUEQ-GFCCVEGCSA-N 0 3 253.317 2.251 20 30 CEEDHN N#Cc1cccc(CNC[C@@H]2CCCN2CC(F)(F)F)n1 ZINC000896839280 630686500 /nfs/dbraw/zinc/68/65/00/630686500.db2.gz KIGGTDYHJUNVRU-ZDUSSCGKSA-N 0 3 298.312 2.070 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@@H](C)N1CCCCC1 ZINC000797836147 630763906 /nfs/dbraw/zinc/76/39/06/630763906.db2.gz DPMIOARYHUCOAR-LLVKDONJSA-N 0 3 275.352 2.064 20 30 CEEDHN C(#Cc1ccccc1)CNC[C@@H]1CCC2(CCOCC2)O1 ZINC000896917458 630805727 /nfs/dbraw/zinc/80/57/27/630805727.db2.gz AZLSEESCJGRBOS-KRWDZBQOSA-N 0 3 285.387 2.356 20 30 CEEDHN C#Cc1cncc(C(=O)NCc2ccccc2CN(C)C)c1 ZINC000798162617 630824752 /nfs/dbraw/zinc/82/47/52/630824752.db2.gz ZPINOLFWAVMPDZ-UHFFFAOYSA-N 0 3 293.370 2.055 20 30 CEEDHN C#Cc1ccc(CN2CCC3(CCNC(=O)O3)CC2)cc1 ZINC000897013361 630874411 /nfs/dbraw/zinc/87/44/11/630874411.db2.gz ODTSZGYMZYHNNG-UHFFFAOYSA-N 0 3 284.359 2.132 20 30 CEEDHN CC#CCN(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000897166397 630968381 /nfs/dbraw/zinc/96/83/81/630968381.db2.gz NJIWEDVYYXHYKR-UHFFFAOYSA-N 0 3 255.365 2.492 20 30 CEEDHN N#Cc1cccc(C2(NC[C@@H](O)c3ccc(F)cn3)CC2)c1 ZINC000799314906 631007619 /nfs/dbraw/zinc/00/76/19/631007619.db2.gz SXCNDADDWICWEK-MRXNPFEDSA-N 0 3 297.333 2.405 20 30 CEEDHN Cc1nccn1-c1ccc(CN[C@H]2CC[C@H](C#N)C2)cn1 ZINC000799714929 631067760 /nfs/dbraw/zinc/06/77/60/631067760.db2.gz JAPDBLUPSYYNGA-ZFWWWQNUSA-N 0 3 281.363 2.358 20 30 CEEDHN C[C@@H](CCC#N)CNC1(c2ncccn2)CCOCC1 ZINC000897360956 631187147 /nfs/dbraw/zinc/18/71/47/631187147.db2.gz VKUCIEIPSWKOHT-ZDUSSCGKSA-N 0 3 274.368 2.012 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@]34C[C@H]3COC43CCC3)n2c1 ZINC000897388757 631272031 /nfs/dbraw/zinc/27/20/31/631272031.db2.gz NKOFJNQRVFVHBW-SUMWQHHRSA-N 0 3 294.358 2.007 20 30 CEEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc[nH]2)nc(C)n1 ZINC000802037957 631376871 /nfs/dbraw/zinc/37/68/71/631376871.db2.gz DCCYYLBCGACAPX-URWSZGRFSA-N 0 3 266.304 2.311 20 30 CEEDHN C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC000988102669 631481950 /nfs/dbraw/zinc/48/19/50/631481950.db2.gz LKQZYVSOIBKGHB-CHWSQXEVSA-N 0 3 274.364 2.161 20 30 CEEDHN C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC000988102670 631482027 /nfs/dbraw/zinc/48/20/27/631482027.db2.gz LKQZYVSOIBKGHB-OLZOCXBDSA-N 0 3 274.364 2.161 20 30 CEEDHN C=CCN1CCN(CN2CCC[C@@H](C(C)C)C2)C1=O ZINC000840048129 631687655 /nfs/dbraw/zinc/68/76/55/631687655.db2.gz BIVMPJRTRBMYJJ-CQSZACIVSA-N 0 3 265.401 2.236 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC000988857418 631702680 /nfs/dbraw/zinc/70/26/80/631702680.db2.gz WXBGTXNQKHKTJU-ZFWWWQNUSA-N 0 3 299.418 2.205 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(Cl)cc2F)C1 ZINC000989139593 631734459 /nfs/dbraw/zinc/73/44/59/631734459.db2.gz WOZMBJZPKNESAJ-JQWIXIFHSA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2coc(C(F)F)c2)C1 ZINC000989364827 631793237 /nfs/dbraw/zinc/79/32/37/631793237.db2.gz HMSPNXWLCTXHJI-ONGXEEELSA-N 0 3 282.290 2.043 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2c(C)cc(C)cc2C)C1 ZINC000989395198 631808333 /nfs/dbraw/zinc/80/83/33/631808333.db2.gz BNGBMHZWLPQRIY-IRXDYDNUSA-N 0 3 298.430 2.367 20 30 CEEDHN Cc1ccc(C#N)cc1C(=O)N(CCN(C)C)C1CC1 ZINC000898017863 632016394 /nfs/dbraw/zinc/01/63/94/632016394.db2.gz VLYRULNDLUIYCI-UHFFFAOYSA-N 0 3 271.364 2.033 20 30 CEEDHN Cc1cc(C(=O)N(CCN(C)C)C2CC2)cc(C)c1C#N ZINC000898017792 632016592 /nfs/dbraw/zinc/01/65/92/632016592.db2.gz STNGMAOILLPFPG-UHFFFAOYSA-N 0 3 285.391 2.341 20 30 CEEDHN C#C[C@H](C)NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000809683762 632126830 /nfs/dbraw/zinc/12/68/30/632126830.db2.gz NYWQXYIOSPOSKC-BBRMVZONSA-N 0 3 259.349 2.356 20 30 CEEDHN C=C(C)CN1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000989588811 632208433 /nfs/dbraw/zinc/20/84/33/632208433.db2.gz NVQRIUUWFWFVKX-UHFFFAOYSA-N 0 3 290.382 2.479 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCc2cc(C)cc(C)c2)C1 ZINC000989649309 632218102 /nfs/dbraw/zinc/21/81/02/632218102.db2.gz DTAKVFNYOJXTNP-SJLPKXTDSA-N 0 3 298.430 2.448 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccoc2CCC)C1 ZINC000989677756 632222418 /nfs/dbraw/zinc/22/24/18/632222418.db2.gz ZCTJXUUHNYGCTN-CHWSQXEVSA-N 0 3 274.364 2.058 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CCCSC1 ZINC000810530115 632223705 /nfs/dbraw/zinc/22/37/05/632223705.db2.gz WDKWJRGUWVYDPM-AAEUAGOBSA-N 0 3 288.372 2.477 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC000989685737 632224067 /nfs/dbraw/zinc/22/40/67/632224067.db2.gz GOPDMONBVKVBPJ-UKRRQHHQSA-N 0 3 287.407 2.039 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(Cl)s2)C1 ZINC000989752372 632238781 /nfs/dbraw/zinc/23/87/81/632238781.db2.gz LVPRGCUDAKJEPJ-UWVGGRQHSA-N 0 3 282.796 2.227 20 30 CEEDHN CCC(=O)N1CCC(NCc2cc(F)ccc2C#N)CC1 ZINC000989834095 632248250 /nfs/dbraw/zinc/24/82/50/632248250.db2.gz MQNOSSHHSXAOKI-UHFFFAOYSA-N 0 3 289.354 2.188 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cncc3ccccc32)C1 ZINC000989827040 632250670 /nfs/dbraw/zinc/25/06/70/632250670.db2.gz XJKKZDHYMNADMA-DZGCQCFKSA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC000989859943 632256888 /nfs/dbraw/zinc/25/68/88/632256888.db2.gz ALXWFIKANYXVRA-DGCLKSJQSA-N 0 3 299.349 2.133 20 30 CEEDHN CC(=O)N[C@]12CCC[C@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC000989869439 632259835 /nfs/dbraw/zinc/25/98/35/632259835.db2.gz AZXCYWUSUWOBLG-SJORKVTESA-N 0 3 283.375 2.191 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cnc(C(C)C)s2)C1 ZINC000989873969 632263843 /nfs/dbraw/zinc/26/38/43/632263843.db2.gz PVLZDMZZCFSKST-VXGBXAGGSA-N 0 3 291.420 2.092 20 30 CEEDHN C=C(C)CN1CC[C@@]2(NC(=O)C(C)(F)F)CCC[C@H]12 ZINC000989906377 632276872 /nfs/dbraw/zinc/27/68/72/632276872.db2.gz PUYWIPHXZUMJKX-FZMZJTMJSA-N 0 3 272.339 2.331 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)C[C@@H]3C=CCC3)CCC[C@@H]12 ZINC000989942669 632285209 /nfs/dbraw/zinc/28/52/09/632285209.db2.gz KSSNMIUTBSIILH-JFIYKMOQSA-N 0 3 286.419 2.479 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3cccc(C)n3)CCC[C@@H]12 ZINC000989955519 632289159 /nfs/dbraw/zinc/28/91/59/632289159.db2.gz YHGJCSUWDVHWSE-NVXWUHKLSA-N 0 3 285.391 2.303 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C[C@H]3C=CCC3)CCC[C@@H]12 ZINC000989943680 632290496 /nfs/dbraw/zinc/29/04/96/632290496.db2.gz ZWHBZOGGFLHIRD-ZMSDIMECSA-N 0 3 272.392 2.089 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3oc(C)nc3C)CCC[C@@H]12 ZINC000990107660 632314440 /nfs/dbraw/zinc/31/44/40/632314440.db2.gz LMSSMVAFUIXTAZ-CZUORRHYSA-N 0 3 289.379 2.204 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)C3CC(F)(F)C3)CCC[C@@H]12 ZINC000990175284 632322876 /nfs/dbraw/zinc/32/28/76/632322876.db2.gz INMCWSBWGISIAL-UKRRQHHQSA-N 0 3 296.361 2.168 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CC3(C)C)CCC[C@@H]12 ZINC000990267033 632332592 /nfs/dbraw/zinc/33/25/92/632332592.db2.gz PAGABJFGZMQOFR-XJKCOSOUSA-N 0 3 262.397 2.332 20 30 CEEDHN C[C@H](NCCN1CCCOCC1)c1ccc(C#N)cc1F ZINC000812831997 632592175 /nfs/dbraw/zinc/59/21/75/632592175.db2.gz OYPRHYVCOWSMJO-ZDUSSCGKSA-N 0 3 291.370 2.070 20 30 CEEDHN C=C1CCC(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)CC1 ZINC000899198306 632734027 /nfs/dbraw/zinc/73/40/27/632734027.db2.gz AXSORSJYROKIKT-HUUCEWRRSA-N 0 3 262.397 2.428 20 30 CEEDHN C=CCOCCOC(=O)C(C)(C)N(C)C1CCCC1 ZINC000813895093 632753774 /nfs/dbraw/zinc/75/37/74/632753774.db2.gz LUUOGNAYBUKZSN-UHFFFAOYSA-N 0 3 269.385 2.385 20 30 CEEDHN C[C@@H]1C(=Nn2cnnc2)CCCN1Cc1ccccc1 ZINC000814683382 632879892 /nfs/dbraw/zinc/87/98/92/632879892.db2.gz XXORIMYRZYCCIB-CYBMUJFWSA-N 0 3 269.352 2.167 20 30 CEEDHN Cn1ncc(CNCC(C)(C)CCC#N)c1Cl ZINC000815141281 632970682 /nfs/dbraw/zinc/97/06/82/632970682.db2.gz YEANRKNADRBMQA-UHFFFAOYSA-N 0 3 254.765 2.493 20 30 CEEDHN C=CCOCCOC(=O)CCN1CCc2ccccc2C1 ZINC000815241720 632985613 /nfs/dbraw/zinc/98/56/13/632985613.db2.gz XQASKDDLIMIPFZ-UHFFFAOYSA-N 0 3 289.375 2.181 20 30 CEEDHN C[C@H](CC#N)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000902849959 634860595 /nfs/dbraw/zinc/86/05/95/634860595.db2.gz DKJOQUQZXMEOEI-JHJVBQTASA-N 0 3 281.400 2.381 20 30 CEEDHN Cc1ccc(C(=O)N(C)C[C@@H]2CCCN2C)cc1C#N ZINC000817495248 633681667 /nfs/dbraw/zinc/68/16/67/633681667.db2.gz NGKYFJQGMAMRJA-HNNXBMFYSA-N 0 3 271.364 2.033 20 30 CEEDHN Cc1cc(C)cc(N=NC2CCN(CCO)CC2)c1 ZINC000819805424 634266984 /nfs/dbraw/zinc/26/69/84/634266984.db2.gz VFAFKTDSLIAEHD-UHFFFAOYSA-N 0 3 261.369 2.159 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)c2cc(C#N)ccc2F)C1 ZINC000822102722 634851328 /nfs/dbraw/zinc/85/13/28/634851328.db2.gz PNOPVFNANAYQJJ-GFCCVEGCSA-N 0 3 289.354 2.159 20 30 CEEDHN CC[C@H](N[C@@H](C)C(=O)NCCF)c1cccc(C#N)c1 ZINC000902981100 634917901 /nfs/dbraw/zinc/91/79/01/634917901.db2.gz HRVUENKJADRTLZ-FZMZJTMJSA-N 0 3 277.343 2.073 20 30 CEEDHN CC[C@H](N[C@H](C)c1cc(C#N)ccn1)[C@@H](O)C(C)C ZINC000903019792 634928242 /nfs/dbraw/zinc/92/82/42/634928242.db2.gz RHYQCQBLPQOKPV-ZLDLUXBVSA-N 0 3 261.369 2.399 20 30 CEEDHN N#CCc1ccc(CN2CC[C@H](Nc3ncccn3)C2)cc1 ZINC000903019907 634936051 /nfs/dbraw/zinc/93/60/51/634936051.db2.gz SRPALZPLFWFFOO-INIZCTEOSA-N 0 3 293.374 2.229 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC(c2cccnc2)CC1 ZINC000801941238 634949860 /nfs/dbraw/zinc/94/98/60/634949860.db2.gz WSCJUIFZHYLIKF-ZDUSSCGKSA-N 0 3 259.353 2.190 20 30 CEEDHN C[C@H](N[C@@H]1CCC[C@H]([S@@](C)=O)C1)c1cc(C#N)ccn1 ZINC000903048684 634955237 /nfs/dbraw/zinc/95/52/37/634955237.db2.gz RUGSWTVFZVOCEG-FCQHBODISA-N 0 3 291.420 2.294 20 30 CEEDHN COC[C@@H](NCC1(C#N)CCCC1)[C@@H]1CCCOC1 ZINC000903109374 634973195 /nfs/dbraw/zinc/97/31/95/634973195.db2.gz OGKUUBJNKMZNCT-ZIAGYGMSSA-N 0 3 266.385 2.102 20 30 CEEDHN COC[C@H](N[C@H](C)c1cc(C#N)ccn1)[C@H]1CCCOC1 ZINC000903095383 634976258 /nfs/dbraw/zinc/97/62/58/634976258.db2.gz VXXXSBHOYQNOPG-INWMFGNUSA-N 0 3 289.379 2.045 20 30 CEEDHN COCC[C@@H]1CCC[C@@H]1NCc1nc(C#N)cs1 ZINC000903262907 635035110 /nfs/dbraw/zinc/03/51/10/635035110.db2.gz JCKUYHLIWRFTIA-JQWIXIFHSA-N 0 3 265.382 2.310 20 30 CEEDHN C#Cc1cncc(-c2noc(C34CCCN(CCC3)C4)n2)c1 ZINC000904091934 635453847 /nfs/dbraw/zinc/45/38/47/635453847.db2.gz PBXQMIIODMVZAU-UHFFFAOYSA-N 0 3 294.358 2.240 20 30 CEEDHN CN1CC[C@@H]1CN=Cc1cc2ccccc2[nH]c1=O ZINC000905001564 635773197 /nfs/dbraw/zinc/77/31/97/635773197.db2.gz BETRLRRYVYKNMU-BPKVKKHESA-N 0 3 255.321 2.063 20 30 CEEDHN C#C[C@@H]1CCCN(Cc2ccnn2-c2ccncc2)C1 ZINC000826535402 635777834 /nfs/dbraw/zinc/77/78/34/635777834.db2.gz VXKNEUDMIWHBKY-CQSZACIVSA-N 0 3 266.348 2.113 20 30 CEEDHN CC[C@@](O)(CNCc1ccc(C#N)cc1)C(F)(F)F ZINC000905039686 635782430 /nfs/dbraw/zinc/78/24/30/635782430.db2.gz XEIRNQGGPVBLHV-GFCCVEGCSA-N 0 3 272.270 2.351 20 30 CEEDHN COc1ccc2c(c1)nccc2N1CC[C@@](O)(CC#N)C1 ZINC000826618785 635795003 /nfs/dbraw/zinc/79/50/03/635795003.db2.gz QMASZBNSCQSRSR-INIZCTEOSA-N 0 3 283.331 2.098 20 30 CEEDHN COc1ccc(C)cc1/C=C1/C(=O)c2ncnn2C1C ZINC000905083158 635798639 /nfs/dbraw/zinc/79/86/39/635798639.db2.gz ZVFCESXNGIIYDZ-CEXMDJMXSA-N 0 3 269.304 2.436 20 30 CEEDHN CC1/C(=C\c2cnc(C(C)(C)C)nc2)C(=O)c2ncnn21 ZINC000905087774 635801661 /nfs/dbraw/zinc/80/16/61/635801661.db2.gz ZMKCTBKZVYZZTP-JTTRITNRSA-N 0 3 283.335 2.207 20 30 CEEDHN C[C@@](O)(CN[C@@H]1CCc2cc(C#N)ccc21)C(F)F ZINC000905236035 636189167 /nfs/dbraw/zinc/18/91/67/636189167.db2.gz DEDJEAREKYBCDI-TZMCWYRMSA-N 0 3 266.291 2.151 20 30 CEEDHN CC(C)C#CC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000827184739 636248932 /nfs/dbraw/zinc/24/89/32/636248932.db2.gz GVBKQOOKYQYDMW-OAHLLOKOSA-N 0 3 272.392 2.283 20 30 CEEDHN C#C[C@@H](NCc1ccc(C#N)c(F)c1)C1CCOCC1 ZINC000827554428 636351466 /nfs/dbraw/zinc/35/14/66/636351466.db2.gz DMNYPIICGUPKJC-MRXNPFEDSA-N 0 3 272.323 2.215 20 30 CEEDHN C#C[C@@H](NCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000827569702 636356833 /nfs/dbraw/zinc/35/68/33/636356833.db2.gz DDSSJTIRGFFADU-OAHLLOKOSA-N 0 3 274.320 2.113 20 30 CEEDHN CC(C)(CN[C@H](C(N)=O)c1ccc(C#N)cc1)CC(F)F ZINC000905779031 636436941 /nfs/dbraw/zinc/43/69/41/636436941.db2.gz ZEZSCQNNBVADLU-ZDUSSCGKSA-N 0 3 295.333 2.356 20 30 CEEDHN C=CCN1CC[C@H](N[C@H](C)COCC2CCCCC2)C1=O ZINC000905856528 636510157 /nfs/dbraw/zinc/51/01/57/636510157.db2.gz DKIXCIIPFMYWNS-ZBFHGGJFSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H]2C)c(OC)c1 ZINC000905975229 636544764 /nfs/dbraw/zinc/54/47/64/636544764.db2.gz PWCWPJQOTPODOG-ZFWWWQNUSA-N 0 3 291.391 2.258 20 30 CEEDHN CC1CCN(CCNC(=O)c2ccsc2C#N)CC1 ZINC000906167986 636631204 /nfs/dbraw/zinc/63/12/04/636631204.db2.gz ZAVLHLSUYSRRQX-UHFFFAOYSA-N 0 3 277.393 2.081 20 30 CEEDHN N#C[C@]1(C(=O)NCCN2CCCCC2)CC2CCC1CC2 ZINC000906171092 636633284 /nfs/dbraw/zinc/63/32/84/636633284.db2.gz QFZKTVGQNASRCR-VMBOVVBDSA-N 0 3 289.423 2.309 20 30 CEEDHN Cc1cc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc(C)c1C#N ZINC000906799890 636858402 /nfs/dbraw/zinc/85/84/02/636858402.db2.gz XAHFZFHZXXUCSU-OAHLLOKOSA-N 0 3 285.391 2.341 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)NCCCCC)C1 ZINC000829769695 636925509 /nfs/dbraw/zinc/92/55/09/636925509.db2.gz ZSMIEMJJNPSKDJ-CQSZACIVSA-N 0 3 250.386 2.028 20 30 CEEDHN C#CC1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000830326218 637036331 /nfs/dbraw/zinc/03/63/31/637036331.db2.gz GPEWGWQKKPFOGS-MRXNPFEDSA-N 0 3 284.359 2.357 20 30 CEEDHN C#CC1CCN(Cc2cc(-c3cnn(C)c3C)no2)CC1 ZINC000830345673 637043573 /nfs/dbraw/zinc/04/35/73/637043573.db2.gz MTGWHDXIHUGZIV-UHFFFAOYSA-N 0 3 284.363 2.229 20 30 CEEDHN C[C@@H](C#N)OCCN(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000830897552 637194904 /nfs/dbraw/zinc/19/49/04/637194904.db2.gz OOTAFWCORTXDTJ-SMDDNHRTSA-N 0 3 282.771 2.234 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nnc(CCCC)s1 ZINC000876551811 650322117 /nfs/dbraw/zinc/32/21/17/650322117.db2.gz XMUQQYIVFWXMRN-MRVPVSSYSA-N 0 3 288.804 2.289 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@]1(C)CCC[C@H]1CC ZINC000908437991 637345076 /nfs/dbraw/zinc/34/50/76/637345076.db2.gz WKKSSVURAQIIRU-ZBFHGGJFSA-N 0 3 264.413 2.274 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccnn1C1CCCC1 ZINC000876559093 650327308 /nfs/dbraw/zinc/32/73/08/650327308.db2.gz VKOYHIDKQBAGTM-LLVKDONJSA-N 0 3 282.775 2.407 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908573398 637415479 /nfs/dbraw/zinc/41/54/79/637415479.db2.gz JKQBWVDQCUJJOP-OAHLLOKOSA-N 0 3 294.439 2.445 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2ccc(OC)cc2C1 ZINC000876622042 650363792 /nfs/dbraw/zinc/36/37/92/650363792.db2.gz AQIJCLYNQZOVOG-AWEZNQCLSA-N 0 3 294.782 2.050 20 30 CEEDHN Cc1cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cs1 ZINC000834965483 638000420 /nfs/dbraw/zinc/00/04/20/638000420.db2.gz BIYZCDAGPVMQFM-VXGBXAGGSA-N 0 3 262.382 2.250 20 30 CEEDHN C[C@H]1CN=C(NN=C2CC[C@@H](C)c3ccsc32)N1 ZINC000834970390 638003455 /nfs/dbraw/zinc/00/34/55/638003455.db2.gz MOQPBRIUPICPSE-BDAKNGLRSA-N 0 3 262.382 2.287 20 30 CEEDHN Nc1ccc2c(c1)CCCC2=NN[C@@H]1CCCOC1 ZINC000834972226 638005182 /nfs/dbraw/zinc/00/51/82/638005182.db2.gz KKWXCSKVUHQJRQ-CYBMUJFWSA-N 0 3 259.353 2.078 20 30 CEEDHN CCC[C@@H](OC)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000835059371 638043130 /nfs/dbraw/zinc/04/31/30/638043130.db2.gz IDCFJBWWZVEHOE-DGCLKSJQSA-N 0 3 261.325 2.085 20 30 CEEDHN N#CC(C(=O)CCCC(=O)C1CC1)C(=O)Nc1ccccc1 ZINC000835063128 638045115 /nfs/dbraw/zinc/04/51/15/638045115.db2.gz HLABLFHTPLWEMZ-AWEZNQCLSA-N 0 3 298.342 2.483 20 30 CEEDHN C[C@H](O)C1CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876679700 650395956 /nfs/dbraw/zinc/39/59/56/650395956.db2.gz IVMBHDFUNHHLBB-ZDUSSCGKSA-N 0 3 287.407 2.217 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N(CC)CC)nc1 ZINC000876719860 650409726 /nfs/dbraw/zinc/40/97/26/650409726.db2.gz XCFOBNFBIQMDSE-LBPRGKRZSA-N 0 3 296.802 2.336 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000911943798 638479777 /nfs/dbraw/zinc/47/97/77/638479777.db2.gz PWNJYPNMSQLKGT-ZDUSSCGKSA-N 0 3 292.379 2.004 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1cccs1 ZINC000912005342 638515186 /nfs/dbraw/zinc/51/51/86/638515186.db2.gz MSTMVMAYYRWIKG-GFCCVEGCSA-N 0 3 252.383 2.390 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ncc(C)s1)C1CC1 ZINC000876773278 650427300 /nfs/dbraw/zinc/42/73/00/650427300.db2.gz YILLGADVFRLOBM-MNOVXSKESA-N 0 3 299.827 2.489 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C(C)(C)CC)CC1 ZINC000912052815 638536702 /nfs/dbraw/zinc/53/67/02/638536702.db2.gz QWYFCNIFYDDSJA-HUUCEWRRSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccc(O)c(OC)c1 ZINC000912232239 638616720 /nfs/dbraw/zinc/61/67/20/638616720.db2.gz BJSNNHXXFNNDBM-CYBMUJFWSA-N 0 3 292.379 2.043 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(F)cc1F ZINC000912271007 638622657 /nfs/dbraw/zinc/62/26/57/638622657.db2.gz ZQUGBKLJVGYUOV-ZDUSSCGKSA-N 0 3 268.307 2.265 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccsc1C#N ZINC000912284075 638631182 /nfs/dbraw/zinc/63/11/82/638631182.db2.gz NXUXSIAOSRAZEI-JTQLQIEISA-N 0 3 277.393 2.222 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H](C(C)(C)C)C1 ZINC000836490259 638649175 /nfs/dbraw/zinc/64/91/75/638649175.db2.gz PTOZBCFORINVPJ-OAHLLOKOSA-N 0 3 293.455 2.409 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(F)cc1OC ZINC000912359035 638657209 /nfs/dbraw/zinc/65/72/09/638657209.db2.gz HBOZJJNSXDDQOJ-NSHDSACASA-N 0 3 266.316 2.456 20 30 CEEDHN CCC(C#N)(CC)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000876847144 650457444 /nfs/dbraw/zinc/45/74/44/650457444.db2.gz WKHXAIJOHQSCHN-OAHLLOKOSA-N 0 3 285.391 2.320 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1scnc1C1CC1 ZINC000876890398 650475461 /nfs/dbraw/zinc/47/54/61/650475461.db2.gz YASBIZIWQYZRHI-QMMMGPOBSA-N 0 3 271.773 2.429 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)CC3CC(F)(F)C3)CCC[C@@H]12 ZINC000991448320 639262468 /nfs/dbraw/zinc/26/24/68/639262468.db2.gz QUSRNWVCTJGALR-UKRRQHHQSA-N 0 3 296.361 2.168 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C#CC1CC1 ZINC000837531259 639269304 /nfs/dbraw/zinc/26/93/04/639269304.db2.gz FKBREKDMTKWNQV-PBHICJAKSA-N 0 3 282.387 2.037 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C#CC(C)(C)C ZINC000837587854 639296349 /nfs/dbraw/zinc/29/63/49/639296349.db2.gz LJMMKCDWJHSKKF-CYBMUJFWSA-N 0 3 264.413 2.273 20 30 CEEDHN C[C@H]1[C@H](NC(=O)C#CC2CC2)CCN1Cc1ccccc1 ZINC000837656531 639328861 /nfs/dbraw/zinc/32/88/61/639328861.db2.gz QJNNEVKIDIVBBY-WMLDXEAASA-N 0 3 282.387 2.179 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000876668892 639354427 /nfs/dbraw/zinc/35/44/27/639354427.db2.gz UTPPXLWAAPPLIY-SPFNVWMYSA-N 0 3 258.793 2.397 20 30 CEEDHN CC[C@@H](SC)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000156493334 639358467 /nfs/dbraw/zinc/35/84/67/639358467.db2.gz SJLIRPMTOSZQLD-NWDGAFQWSA-N 0 3 276.361 2.476 20 30 CEEDHN CC(C)N1CCCC[C@@H]1COC(=O)c1cnccc1C#N ZINC000837732313 639363211 /nfs/dbraw/zinc/36/32/11/639363211.db2.gz KMAHQFCYXYJLFH-CQSZACIVSA-N 0 3 287.363 2.373 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ncc(CC)s1 ZINC000876775558 639373952 /nfs/dbraw/zinc/37/39/52/639373952.db2.gz XWKOHELDHWZKOL-JTQLQIEISA-N 0 3 287.816 2.134 20 30 CEEDHN C[C@@H](CNCc1cc(C#N)cnc1Cl)C[C@H](C)O ZINC000877058752 639504146 /nfs/dbraw/zinc/50/41/46/639504146.db2.gz LXZITXCYTPWEOZ-ZJUUUORDSA-N 0 3 267.760 2.103 20 30 CEEDHN N#Cc1cnc(Cl)c(CNC[C@H]2CCCOC2)c1 ZINC000876957132 650505288 /nfs/dbraw/zinc/50/52/88/650505288.db2.gz UXULBVIKUVCYLH-SNVBAGLBSA-N 0 3 265.744 2.123 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2cc(OC)ccc2C1 ZINC000876970085 650512192 /nfs/dbraw/zinc/51/21/92/650512192.db2.gz INBGDUHQGLRZBK-CQSZACIVSA-N 0 3 294.782 2.050 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000876975499 650514835 /nfs/dbraw/zinc/51/48/35/650514835.db2.gz IPUBNOAAMAODLC-IGQOVBAYSA-N 0 3 294.757 2.050 20 30 CEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCSC ZINC000171481537 639721668 /nfs/dbraw/zinc/72/16/68/639721668.db2.gz UQQPHLNLRSTBJA-JTQLQIEISA-N 0 3 292.360 2.096 20 30 CEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCC2(C#N)CCC2)C1 ZINC000841473738 639772130 /nfs/dbraw/zinc/77/21/30/639772130.db2.gz PRLCJYZSOFFMCX-HNNXBMFYSA-N 0 3 281.375 2.009 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000841900661 639902520 /nfs/dbraw/zinc/90/25/20/639902520.db2.gz BVENMSHNZXXNRF-ZMSDIMECSA-N 0 3 299.418 2.013 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3csc(C)n3)CCC[C@H]12 ZINC000992137698 639970615 /nfs/dbraw/zinc/97/06/15/639970615.db2.gz OVTJYFGFYBAYGE-ZFWWWQNUSA-N 0 3 291.420 2.364 20 30 CEEDHN CCCCCCO[C@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000842285317 639998038 /nfs/dbraw/zinc/99/80/38/639998038.db2.gz PDLYFLPOPFZSKU-KGLIPLIRSA-N 0 3 294.395 2.303 20 30 CEEDHN C[C@]1(CNCc2cc(C#N)cnc2Cl)CCOC1 ZINC000877038889 650542059 /nfs/dbraw/zinc/54/20/59/650542059.db2.gz AMBBCPVNTZGEFP-CYBMUJFWSA-N 0 3 265.744 2.123 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(F)(F)C[C@H]1C ZINC000877043763 650544298 /nfs/dbraw/zinc/54/42/98/650544298.db2.gz NVXCHQIEAUPWSB-RKDXNWHRSA-N 0 3 266.719 2.103 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ncccc3F)CCC[C@@H]12 ZINC000992377989 640036386 /nfs/dbraw/zinc/03/63/86/640036386.db2.gz LZGMPCDOTONINI-CZUORRHYSA-N 0 3 289.354 2.134 20 30 CEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3nocc3C)CCC[C@@H]12 ZINC000992406889 640042296 /nfs/dbraw/zinc/04/22/96/640042296.db2.gz RTIBZACHYLKXMO-CJNGLKHVSA-N 0 3 289.379 2.286 20 30 CEEDHN CCN(CCO)c1ccc(C=NNC23CC(C2)C3)c(C)c1 ZINC000842547694 640100479 /nfs/dbraw/zinc/10/04/79/640100479.db2.gz URYOJXXQPSBCQV-UHFFFAOYSA-N 0 3 287.407 2.290 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccn2C)[C@@H]1C ZINC000993059380 640419932 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/nfs/dbraw/zinc/21/61/78/643216178.db2.gz FMPHBPQETPQSTM-UHFFFAOYSA-N 0 3 252.264 2.376 20 30 CEEDHN COC(=O)c1cc(CNCc2ccc(C)c(C#N)c2)cn1C ZINC000922760675 643249731 /nfs/dbraw/zinc/24/97/31/643249731.db2.gz YFOBVVPTHDVFHD-UHFFFAOYSA-N 0 3 297.358 2.282 20 30 CEEDHN C#CCOCCN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000852022300 643269816 /nfs/dbraw/zinc/26/98/16/643269816.db2.gz QDXFOXAUCQJWBN-UHFFFAOYSA-N 0 3 294.345 2.127 20 30 CEEDHN C#CCN(Cc1ccccc1)C[C@H](OC)[C@H]1CCOC1 ZINC000852044644 643276426 /nfs/dbraw/zinc/27/64/26/643276426.db2.gz HPTPTGXXIVSEQV-IRXDYDNUSA-N 0 3 273.376 2.173 20 30 CEEDHN C#CCN(Cc1ccccc1)C[C@@H](OC)[C@@H]1CCOC1 ZINC000852044642 643277181 /nfs/dbraw/zinc/27/71/81/643277181.db2.gz HPTPTGXXIVSEQV-IAGOWNOFSA-N 0 3 273.376 2.173 20 30 CEEDHN C#C[C@@](C)(CC)NCC(=O)N(C)C1CCC(C)CC1 ZINC000852097794 643300925 /nfs/dbraw/zinc/30/09/25/643300925.db2.gz WBUCDLARGLPJKK-XUJLQICISA-N 0 3 264.413 2.415 20 30 CEEDHN C#C[C@@](C)(CC)NCC(=O)NCc1cccc(Cl)c1 ZINC000852098854 643302451 /nfs/dbraw/zinc/30/24/51/643302451.db2.gz XVRRUHLNXLFVDV-HNNXBMFYSA-N 0 3 278.783 2.348 20 30 CEEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1cccc(OC)c1 ZINC000852099918 643302972 /nfs/dbraw/zinc/30/29/72/643302972.db2.gz RMSWLXGGIPTPMT-SUMWQHHRSA-N 0 3 288.391 2.091 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000852103073 643307779 /nfs/dbraw/zinc/30/77/79/643307779.db2.gz WYNOKPYTQXREQI-ZMSDIMECSA-N 0 3 294.439 2.089 20 30 CEEDHN C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)C[C@@H](C)S1 ZINC000226669672 643349625 /nfs/dbraw/zinc/34/96/25/643349625.db2.gz CUNLTQUEZQYYPV-LALPHHSUSA-N 0 3 276.405 2.417 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)Cc2ccsc2)CC1 ZINC001005076451 643379174 /nfs/dbraw/zinc/37/91/74/643379174.db2.gz UJZKMVYDLQLRRX-UHFFFAOYSA-N 0 3 278.421 2.399 20 30 CEEDHN C=CC[NH+]1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC001005112596 643388182 /nfs/dbraw/zinc/38/81/82/643388182.db2.gz CWSJDNUWBXUFEX-UHFFFAOYSA-N 0 3 274.364 2.115 20 30 CEEDHN N#CC[C@@H]1CCCN(C[C@@H](O)c2ccc(F)cc2)C1 ZINC000852319956 643392705 /nfs/dbraw/zinc/39/27/05/643392705.db2.gz UCUADVACNJCWRF-SWLSCSKDSA-N 0 3 262.328 2.485 20 30 CEEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccnc(F)c2)CC1 ZINC001005166923 643392815 /nfs/dbraw/zinc/39/28/15/643392815.db2.gz WUOZBGOTJJPCIH-UHFFFAOYSA-N 0 3 291.370 2.333 20 30 CEEDHN C=CCN(C[C@H](O)c1ccc(F)cc1)[C@@H](C)COC ZINC000852357981 643406942 /nfs/dbraw/zinc/40/69/42/643406942.db2.gz KIOVCHWJVPOXDJ-WFASDCNBSA-N 0 3 267.344 2.382 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CC[C@@H](CC)O2)CC1 ZINC001005475159 643409296 /nfs/dbraw/zinc/40/92/96/643409296.db2.gz OBVVHDATALDLCE-HUUCEWRRSA-N 0 3 280.412 2.053 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2onc(C)c2C)CC1 ZINC001005556107 643418413 /nfs/dbraw/zinc/41/84/13/643418413.db2.gz CLNPPQSYNNPNAU-UHFFFAOYSA-N 0 3 277.368 2.014 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2ncc(F)cc2F)CC1 ZINC001005590455 643423095 /nfs/dbraw/zinc/42/30/95/643423095.db2.gz ZAAXIHOAENRKJV-UHFFFAOYSA-N 0 3 295.333 2.082 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@]2(C)C=CCC2)CC1 ZINC001005841601 643479747 /nfs/dbraw/zinc/47/97/47/643479747.db2.gz QUCRFFGNLGEMRP-MRXNPFEDSA-N 0 3 262.397 2.452 20 30 CEEDHN N#Cc1cnc(Cl)c(CN[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000877681867 650847484 /nfs/dbraw/zinc/84/74/84/650847484.db2.gz KTIVKVXKXVPSEB-DDNRWTCHSA-N 0 3 289.766 2.120 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC001006032088 643647581 /nfs/dbraw/zinc/64/75/81/643647581.db2.gz IJOFDGBLZSYUHA-DLBZAZTESA-N 0 3 299.418 2.294 20 30 CEEDHN C=CC[C@H]1CCCN(CN2CC(C)(C)CC2=O)C1 ZINC000853537109 643807822 /nfs/dbraw/zinc/80/78/22/643807822.db2.gz PCAKFYREUGXJDI-ZDUSSCGKSA-N 0 3 250.386 2.491 20 30 CEEDHN C=CCONC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000838702282 643994963 /nfs/dbraw/zinc/99/49/63/643994963.db2.gz PAKQILZCMADDQX-UHFFFAOYSA-N 0 3 293.367 2.003 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)CCCCC(C)C ZINC000838789266 644023357 /nfs/dbraw/zinc/02/33/57/644023357.db2.gz YWKJEMSNMYWQIH-LBPRGKRZSA-N 0 3 250.342 2.214 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)C#CC(C)C ZINC000854429100 644055553 /nfs/dbraw/zinc/05/55/53/644055553.db2.gz PRBAQQXHEJWXTG-UHFFFAOYSA-N 0 3 264.413 2.370 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@]1(c2ccccc2)CC1(C)C ZINC000854663892 644122179 /nfs/dbraw/zinc/12/21/79/644122179.db2.gz HBILQHWZZACQMR-IBGZPJMESA-N 0 3 298.430 2.426 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)C#Cc1ccccc1 ZINC000855165496 644262865 /nfs/dbraw/zinc/26/28/65/644262865.db2.gz WQAPLNAWZGQSCM-HNNXBMFYSA-N 0 3 270.376 2.027 20 30 CEEDHN CCCn1cccc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753933664 644296532 /nfs/dbraw/zinc/29/65/32/644296532.db2.gz FGCKIHWQHMHXEX-ZIAGYGMSSA-N 0 3 273.384 2.092 20 30 CEEDHN C[C@@H]1Cc2ccccc2C1=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753936314 644297797 /nfs/dbraw/zinc/29/77/97/644297797.db2.gz SQPDMAXIKIZLNC-KCPJHIHWSA-N 0 3 282.391 2.443 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)s1 ZINC000754671130 644412245 /nfs/dbraw/zinc/41/22/45/644412245.db2.gz ZCZQDMUBOGDBQG-WDEREUQCSA-N 0 3 295.408 2.107 20 30 CEEDHN CCCCCCCCN1CCN2CCOC[C@H]2C1 ZINC000755209446 644488018 /nfs/dbraw/zinc/48/80/18/644488018.db2.gz ZLJBINJHEJYRRK-OAHLLOKOSA-N 0 3 254.418 2.363 20 30 CEEDHN Cn1cc(CN[C@H]2CC[C@@H](CC#N)C2)c(Cl)n1 ZINC000856790072 644725537 /nfs/dbraw/zinc/72/55/37/644725537.db2.gz QHNBZBPUBCDXIE-ONGXEEELSA-N 0 3 252.749 2.245 20 30 CEEDHN C=CC[C@H](C)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000877988288 650968514 /nfs/dbraw/zinc/96/85/14/650968514.db2.gz FTOSAVSPUBVZIX-ZDUSSCGKSA-N 0 3 256.353 2.040 20 30 CEEDHN CCCCCCCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000858111805 645065244 /nfs/dbraw/zinc/06/52/44/645065244.db2.gz UAQPILZSSCYDKK-CABCVRRESA-N 0 3 297.443 2.119 20 30 CEEDHN CCCCCCCNC(=O)N1CCN2CCC1CC2 ZINC000858113742 645066424 /nfs/dbraw/zinc/06/64/24/645066424.db2.gz XHGDPZMBYQDRRP-UHFFFAOYSA-N 0 3 267.417 2.446 20 30 CEEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc[nH]c2=O)cc1 ZINC000858304024 645111764 /nfs/dbraw/zinc/11/17/64/645111764.db2.gz CKRKJKAKIKRMCM-LBPRGKRZSA-N 0 3 283.331 2.368 20 30 CEEDHN CCOC(=O)N(C)C1CCN(CC2(CC#N)CC2)CC1 ZINC000878039240 650980278 /nfs/dbraw/zinc/98/02/78/650980278.db2.gz ZUNQLMUUMRFDAN-UHFFFAOYSA-N 0 3 279.384 2.233 20 30 CEEDHN C#CC[C@@H](COC)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000858334816 645121935 /nfs/dbraw/zinc/12/19/35/645121935.db2.gz GHKHOCBWPDBATH-HIFRSBDPSA-N 0 3 272.348 2.105 20 30 CEEDHN C#CC[C@@H](CCOC)NCc1cc(OC)c(OC)cc1F ZINC000858333782 645122434 /nfs/dbraw/zinc/12/24/34/645122434.db2.gz AZTXLFMGYNIZGY-ZDUSSCGKSA-N 0 3 295.354 2.361 20 30 CEEDHN C=C1CCN(C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000878087136 650994169 /nfs/dbraw/zinc/99/41/69/650994169.db2.gz HLSVUHUVRPFKSV-HOTGVXAUSA-N 0 3 261.365 2.123 20 30 CEEDHN C#CCCOC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000859112136 645370003 /nfs/dbraw/zinc/37/00/03/645370003.db2.gz KMDCXLQBTRTOFD-UKRRQHHQSA-N 0 3 274.364 2.427 20 30 CEEDHN C#CCCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000762302805 645398304 /nfs/dbraw/zinc/39/83/04/645398304.db2.gz GMQWFMVYFSUVBL-KRWDZBQOSA-N 0 3 299.418 2.316 20 30 CEEDHN C=CCN1CCC(NC(=O)c2c(Cl)n[nH]c2CC)CC1 ZINC000859250400 645436122 /nfs/dbraw/zinc/43/61/22/645436122.db2.gz JNNUVUTWUNYXPS-UHFFFAOYSA-N 0 3 296.802 2.006 20 30 CEEDHN COCC#CCN(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000762925420 645481109 /nfs/dbraw/zinc/48/11/09/645481109.db2.gz FWBYZJQMJSUPQT-UHFFFAOYSA-N 0 3 298.427 2.119 20 30 CEEDHN COCC#CCN1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000762925944 645481457 /nfs/dbraw/zinc/48/14/57/645481457.db2.gz KFBWYJXCZMERNJ-IRXDYDNUSA-N 0 3 273.376 2.224 20 30 CEEDHN CCC(Cc1ccc(OC)c(OC)c1)=Nn1cnnc1 ZINC000763339078 645535311 /nfs/dbraw/zinc/53/53/11/645535311.db2.gz OKOPYMFWGLFXIV-UHFFFAOYSA-N 0 3 274.324 2.152 20 30 CEEDHN C=CC(C)(C)CC(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000878185864 651028722 /nfs/dbraw/zinc/02/87/22/651028722.db2.gz OCJYAOWMWPWIDD-HNNXBMFYSA-N 0 3 294.439 2.302 20 30 CEEDHN N#CC(C(=O)C[C@H]1COC(=O)C1)c1ccc2ccccc2n1 ZINC000766236675 645862432 /nfs/dbraw/zinc/86/24/32/645862432.db2.gz GDGOQMNBCQJILI-DGCLKSJQSA-N 0 3 294.310 2.364 20 30 CEEDHN Cc1cc(CNCC2(C)OCCCO2)ccc1C#N ZINC000767713332 646032695 /nfs/dbraw/zinc/03/26/95/646032695.db2.gz WDDAPOOSOFFDTH-UHFFFAOYSA-N 0 3 260.337 2.109 20 30 CEEDHN CCN(C(=O)c1cc(C#N)ccc1F)C1CCN(C)CC1 ZINC000861890880 646292166 /nfs/dbraw/zinc/29/21/66/646292166.db2.gz NYXDHSUXBMUPTI-UHFFFAOYSA-N 0 3 289.354 2.254 20 30 CEEDHN CCN(C(=O)Cc1ccccc1CC#N)C1CCN(C)CC1 ZINC000861892554 646294082 /nfs/dbraw/zinc/29/40/82/646294082.db2.gz JYXFMPNFGPWZHI-UHFFFAOYSA-N 0 3 299.418 2.238 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000769846391 646326354 /nfs/dbraw/zinc/32/63/54/646326354.db2.gz MCLKDAMBXFRCBX-BRWVUGGUSA-N 0 3 297.402 2.459 20 30 CEEDHN C#CC[C@@H]1CCN(Cc2ccc(C(=O)OCC)o2)C1 ZINC000862444658 646462085 /nfs/dbraw/zinc/46/20/85/646462085.db2.gz FEPWAWQANPQKTD-GFCCVEGCSA-N 0 3 261.321 2.302 20 30 CEEDHN C=CCOCC(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000772695645 646660211 /nfs/dbraw/zinc/66/02/11/646660211.db2.gz BGYIBYSEILOFSZ-UHFFFAOYSA-N 0 3 293.363 2.237 20 30 CEEDHN CCN1CCCC[C@@H]1C(=O)N(C)CCc1cccc(C#N)c1 ZINC000863434655 646723816 /nfs/dbraw/zinc/72/38/16/646723816.db2.gz RFTPJOMVXKLGTO-QGZVFWFLSA-N 0 3 299.418 2.434 20 30 CEEDHN CN(C)C1(C(=O)N2CCc3c(CC#N)cccc3C2)CCC1 ZINC000863715360 646796682 /nfs/dbraw/zinc/79/66/82/646796682.db2.gz ONIZSJNVBCDOCY-UHFFFAOYSA-N 0 3 297.402 2.122 20 30 CEEDHN C=CC[C@H](CO)CNCc1c(Cl)nc2ccccn21 ZINC000774828588 646900612 /nfs/dbraw/zinc/90/06/12/646900612.db2.gz VTQRSAAANHHJJY-NSHDSACASA-N 0 3 279.771 2.262 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000775263346 646935401 /nfs/dbraw/zinc/93/54/01/646935401.db2.gz WPMUXEWUACZKGW-IUODEOHRSA-N 0 3 290.363 2.231 20 30 CEEDHN C#C[C@H](NCc1ccc(OCC)cc1O)[C@H]1CCCO1 ZINC000775341385 646942664 /nfs/dbraw/zinc/94/26/64/646942664.db2.gz MFBIMBXLFXUHEH-GOEBONIOSA-N 0 3 275.348 2.061 20 30 CEEDHN C#C[C@H]([NH2+]Cc1ccc(OCC)cc1[O-])[C@H]1CCCO1 ZINC000775341385 646942665 /nfs/dbraw/zinc/94/26/65/646942665.db2.gz MFBIMBXLFXUHEH-GOEBONIOSA-N 0 3 275.348 2.061 20 30 CEEDHN C=CCNC(=O)CN[C@@H](CC)c1ccc2c(c1)CCCO2 ZINC000777317088 647125936 /nfs/dbraw/zinc/12/59/36/647125936.db2.gz ZCHHAYZRARXDRG-HNNXBMFYSA-N 0 3 288.391 2.355 20 30 CEEDHN CCC(=NN[C@@H](C)COC)c1ccc(N(C)C)cc1 ZINC000777902294 647189019 /nfs/dbraw/zinc/18/90/19/647189019.db2.gz QIJGTNGDZVEDMY-LBPRGKRZSA-N 0 3 263.385 2.491 20 30 CEEDHN C#CCCCCCC(=O)N(CCN(C)C)C(C)C ZINC000779996369 647380521 /nfs/dbraw/zinc/38/05/21/647380521.db2.gz ZJHHUPDJALDOLV-UHFFFAOYSA-N 0 3 252.402 2.369 20 30 CEEDHN CC(C)N1CC(N=Nc2ncncc2Cl)[C@H](C)C1 ZINC000780283261 647411676 /nfs/dbraw/zinc/41/16/76/647411676.db2.gz WYFZMWNAFIQBJT-SECBINFHSA-N 0 3 267.764 2.258 20 30 CEEDHN Cn1ccnc1CNC1CCN(c2ccccc2C#N)CC1 ZINC000865697091 647428245 /nfs/dbraw/zinc/42/82/45/647428245.db2.gz SCXXOMLLDAGFIR-UHFFFAOYSA-N 0 3 295.390 2.050 20 30 CEEDHN CN1CCN(c2ncc(C#N)cc2F)CCC1(C)C ZINC000866112914 647615137 /nfs/dbraw/zinc/61/51/37/647615137.db2.gz NVPCGUODPYNHPG-UHFFFAOYSA-N 0 3 262.332 2.013 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)CCCc1ccsc1 ZINC000783353689 647709449 /nfs/dbraw/zinc/70/94/49/647709449.db2.gz YLRSJFXQUIVDSE-LBPRGKRZSA-N 0 3 276.361 2.082 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H](C)CSC(C)(C)C ZINC000783533041 647725960 /nfs/dbraw/zinc/72/59/60/647725960.db2.gz XGJCUGVCRLGMLL-LLVKDONJSA-N 0 3 279.471 2.097 20 30 CEEDHN Cn1ccnc1[C@@H](N[C@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000866618147 647845289 /nfs/dbraw/zinc/84/52/89/647845289.db2.gz WEJZHOWTEICTEO-IRXDYDNUSA-N 0 3 292.386 2.500 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000923604332 647956063 /nfs/dbraw/zinc/95/60/63/647956063.db2.gz FVTOWCFQKWIAQJ-CHWSQXEVSA-N 0 3 267.417 2.371 20 30 CEEDHN C#CCCN1CCN([C@@H]2CCc3ccccc32)CC1 ZINC000785770091 647956088 /nfs/dbraw/zinc/95/60/88/647956088.db2.gz WBUWCFGPGSZXHO-QGZVFWFLSA-N 0 3 254.377 2.315 20 30 CEEDHN C=CCCN(C)Cn1nc(C(=O)OC)c2ccccc21 ZINC000786101085 647985454 /nfs/dbraw/zinc/98/54/54/647985454.db2.gz IUIQKGSGKHMYMM-UHFFFAOYSA-N 0 3 273.336 2.288 20 30 CEEDHN Cc1cncc([C@@H]2CCCN2C(=O)[C@H](N)CCCC#N)c1 ZINC000868050218 648034333 /nfs/dbraw/zinc/03/43/33/648034333.db2.gz HADNECXJRCYQNM-CABCVRRESA-N 0 3 286.379 2.075 20 30 CEEDHN CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H](NCCC#N)C1 ZINC000787300136 648096124 /nfs/dbraw/zinc/09/61/24/648096124.db2.gz FPXNJHQFWKBKKY-GHMZBOCLSA-N 0 3 274.311 2.247 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000791606686 648548276 /nfs/dbraw/zinc/54/82/76/648548276.db2.gz JVAUKTOFBOQELH-JKSUJKDBSA-N 0 3 284.403 2.231 20 30 CEEDHN CC1(C)CC(=NNC(=N)N)c2cc(Br)ccc21 ZINC000794488815 648871549 /nfs/dbraw/zinc/87/15/49/648871549.db2.gz MPEGPJYFJRRWBC-UHFFFAOYSA-N 0 3 295.184 2.318 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)Nc1nc2cc(C#N)ccc2[nH]1 ZINC000871070020 648994262 /nfs/dbraw/zinc/99/42/62/648994262.db2.gz DYYKYTTVOPOYKN-AWEZNQCLSA-N 0 3 297.362 2.247 20 30 CEEDHN N#Cc1ccc(COc2ccc3c(c2)OCCNC3)o1 ZINC000871652522 649133358 /nfs/dbraw/zinc/13/33/58/649133358.db2.gz WFUIBBWQLWXAOW-UHFFFAOYSA-N 0 3 270.288 2.212 20 30 CEEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCCC[C@@H]1F ZINC000872219025 649320114 /nfs/dbraw/zinc/32/01/14/649320114.db2.gz QFCZHJOTRSPXNH-QLFBSQMISA-N 0 3 292.354 2.168 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC[C@H](OC2CCC2)CC1 ZINC000872276832 649340024 /nfs/dbraw/zinc/34/00/24/649340024.db2.gz MPTUGTKXZKZRGN-ZFWWWQNUSA-N 0 3 280.412 2.101 20 30 CEEDHN Cc1cc(C)c(CC=CN=NC2=NCCN2)c(C)c1 ZINC000872385986 649376407 /nfs/dbraw/zinc/37/64/07/649376407.db2.gz WPCDNGZBEAFIKA-NKHQWSBKSA-N 0 3 256.353 2.160 20 30 CEEDHN C#C[C@H]1CC[C@H](NC(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000872966246 649519983 /nfs/dbraw/zinc/51/99/83/649519983.db2.gz MBOGJCDXCNBRLJ-IIAWOOMASA-N 0 3 289.423 2.128 20 30 CEEDHN C#C[C@H]1CC[C@H](NCc2ncc(Cl)n2C)CC1 ZINC000873198201 649586020 /nfs/dbraw/zinc/58/60/20/649586020.db2.gz XYIRLTIEBBDSEC-XYPYZODXSA-N 0 3 251.761 2.355 20 30 CEEDHN COC(=O)[C@@H]1CC[C@@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000873498426 649689191 /nfs/dbraw/zinc/68/91/91/649689191.db2.gz BPHGLRGAGSVAQD-AXFHLTTASA-N 0 3 298.298 2.203 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(C)CC(F)(F)C2)CC1 ZINC000874436432 649774556 /nfs/dbraw/zinc/77/45/56/649774556.db2.gz GMKFXJCHWDAPBZ-UHFFFAOYSA-N 0 3 272.339 2.188 20 30 CEEDHN C=CC[C@H](C(=O)OC)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000878666827 651158543 /nfs/dbraw/zinc/15/85/43/651158543.db2.gz VOJDTMDTFXKOQH-KBUPBQIOSA-N 0 3 281.396 2.120 20 30 CEEDHN C=CCN(C[C@@H]1CCC2(CCOCC2)O1)[C@@H](C)COC ZINC000878889853 651204364 /nfs/dbraw/zinc/20/43/64/651204364.db2.gz KVRBMHRGXHIZAG-GJZGRUSLSA-N 0 3 283.412 2.238 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H]2CSC[C@H]2C1 ZINC000879555223 651320437 /nfs/dbraw/zinc/32/04/37/651320437.db2.gz LURKUFGLONRVEU-UONOGXRCSA-N 0 3 282.453 2.096 20 30 CEEDHN CC(C)(O)C1CCN(CCOc2ccccc2C#N)CC1 ZINC000879626648 651332711 /nfs/dbraw/zinc/33/27/11/651332711.db2.gz ZSFAACUCSFRQKY-UHFFFAOYSA-N 0 3 288.391 2.420 20 30 CEEDHN C#CCN1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC000879699684 651341208 /nfs/dbraw/zinc/34/12/08/651341208.db2.gz APQSFOLTKRJAJM-UONOGXRCSA-N 0 3 278.396 2.341 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@@H](C(C)(C)O)C1 ZINC000880148263 651392922 /nfs/dbraw/zinc/39/29/22/651392922.db2.gz UHYVOLFIVMRHMB-CQSZACIVSA-N 0 3 274.364 2.160 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](CF)C1 ZINC000880234056 651405490 /nfs/dbraw/zinc/40/54/90/651405490.db2.gz HEUYCKXDQFKTLF-KBPBESRZSA-N 0 3 270.392 2.481 20 30 CEEDHN C=CCCn1cc(CN[C@@H](CC)[C@@H]2CCCOC2)nn1 ZINC000880468817 651446284 /nfs/dbraw/zinc/44/62/84/651446284.db2.gz CCHNXLPVEOZRLK-HIFRSBDPSA-N 0 3 278.400 2.149 20 30 CEEDHN C#CCC1(O)CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000880483883 651448645 /nfs/dbraw/zinc/44/86/45/651448645.db2.gz LNHKOBMPRXNGLQ-UHFFFAOYSA-N 0 3 268.360 2.217 20 30 CEEDHN C=C(Br)Cn1cc(CNC2CCCC2)nn1 ZINC000881427381 651718181 /nfs/dbraw/zinc/71/81/81/651718181.db2.gz JVRGMYATJVZMJS-UHFFFAOYSA-N 0 3 285.189 2.219 20 30 CEEDHN Cc1nc(C#N)cc(N2CCN(C3CCCCC3)CC2)n1 ZINC000882101708 651963912 /nfs/dbraw/zinc/96/39/12/651963912.db2.gz CSFRREFRNXTOEZ-UHFFFAOYSA-N 0 3 285.395 2.111 20 30 CEEDHN CCN1CC[C@@H]1CNc1cc(C)c([N+](=O)[O-])c(C#N)c1 ZINC000882958554 652288771 /nfs/dbraw/zinc/28/87/71/652288771.db2.gz DEAZHUQKUHTOGQ-CYBMUJFWSA-N 0 3 274.324 2.281 20 30 CEEDHN C#CC[C@H](CO)NCc1ccc(OC)c(OCC(C)C)c1 ZINC000883123049 652368877 /nfs/dbraw/zinc/36/88/77/652368877.db2.gz JDNKANVMFLGWOQ-OAHLLOKOSA-N 0 3 291.391 2.204 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000883123203 652369677 /nfs/dbraw/zinc/36/96/77/652369677.db2.gz PKVPZCWANVQUHY-ZDUSSCGKSA-N 0 3 276.336 2.192 20 30 CEEDHN C#CC[C@@H](CO)NCc1cn(CC)nc1-c1ccccc1 ZINC000883125887 652370678 /nfs/dbraw/zinc/37/06/78/652370678.db2.gz YDUGVQYLDSZRRC-INIZCTEOSA-N 0 3 283.375 2.044 20 30 CEEDHN C=CCC[C@H](NCc1cc(C)ncn1)[C@@H]1CCCO1 ZINC000883209089 652400832 /nfs/dbraw/zinc/40/08/32/652400832.db2.gz VGVFBLAIPAWWOM-GJZGRUSLSA-N 0 3 261.369 2.388 20 30 CEEDHN C#CC1(NCc2ccc3c(c2)OCCO3)CCCC1 ZINC000883362581 652444670 /nfs/dbraw/zinc/44/46/70/652444670.db2.gz HYGQREBOJLRVSL-UHFFFAOYSA-N 0 3 257.333 2.493 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cc(F)ccc1OC ZINC000883399971 652456197 /nfs/dbraw/zinc/45/61/97/652456197.db2.gz AGORXSINXLVOSZ-CYBMUJFWSA-N 0 3 253.317 2.251 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1ccc(Br)o1 ZINC000883401422 652457344 /nfs/dbraw/zinc/45/73/44/652457344.db2.gz MMKCJUZMGHHDBG-SECBINFHSA-N 0 3 274.158 2.459 20 30 CEEDHN CC(C)CCC[C@@H](C)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884046376 652657045 /nfs/dbraw/zinc/65/70/45/652657045.db2.gz BPWAEEYNEVVWJK-HCEZTOJASA-N 0 3 291.439 2.457 20 30 CEEDHN Cc1cc(F)ccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884050515 652662291 /nfs/dbraw/zinc/66/22/91/652662291.db2.gz BTAVQLZQRXHVBY-BWBHSNQOSA-N 0 3 287.338 2.212 20 30 CEEDHN Cc1cc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)ccc1F ZINC000884069204 652693847 /nfs/dbraw/zinc/69/38/47/652693847.db2.gz UXNROXQIBIVJIW-BWBHSNQOSA-N 0 3 287.338 2.212 20 30 CEEDHN C[C@@H](N(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N)C(C)(C)C ZINC000884087466 652702240 /nfs/dbraw/zinc/70/22/40/652702240.db2.gz DOZFKFLUAWZZDT-ZMDMRTEPSA-N 0 3 277.412 2.019 20 30 CEEDHN Cc1cccc2c1CCN2C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884112847 652713839 /nfs/dbraw/zinc/71/38/39/652713839.db2.gz YXPSLANASJYIRG-TXKKKEFDSA-N 0 3 295.386 2.024 20 30 CEEDHN CC(C)(C)CCCCNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884125600 652718070 /nfs/dbraw/zinc/71/80/70/652718070.db2.gz CKEPZLOYTKJROI-UUCFBXCCSA-N 0 3 291.439 2.458 20 30 CEEDHN CC[C@]1(C)CCCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)C1 ZINC000884141096 652724622 /nfs/dbraw/zinc/72/46/22/652724622.db2.gz PBKOQCWZDKKUME-OGOZQZCJSA-N 0 3 289.423 2.164 20 30 CEEDHN CC(C)[C@H]1CCCCN1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884140376 652724705 /nfs/dbraw/zinc/72/47/05/652724705.db2.gz RNSFPDAAADIGNE-KRIMKBQASA-N 0 3 289.423 2.163 20 30 CEEDHN CC[C@H]1CCCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC000884145204 652727335 /nfs/dbraw/zinc/72/73/35/652727335.db2.gz FBXHHGZSNSNIOS-UJEKJILKSA-N 0 3 289.423 2.164 20 30 CEEDHN C[C@H](CCC(C)(C)C)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884147187 652729325 /nfs/dbraw/zinc/72/93/25/652729325.db2.gz BPTRHENVXPIEBV-SMOJQAGNSA-N 0 3 291.439 2.457 20 30 CEEDHN C=CCN1CCC[C@](C)(CNC(=O)/C=C/c2ccc[nH]2)C1 ZINC001270958994 805699931 /nfs/dbraw/zinc/69/99/31/805699931.db2.gz SAZDKEQAJNYWDN-IWAYRVGRSA-N 0 3 287.407 2.432 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)Cc2cccc(C)c2)[C@H]1CC ZINC001087709369 805778137 /nfs/dbraw/zinc/77/81/37/805778137.db2.gz VAVWXPLRALSBGK-DLBZAZTESA-N 0 3 284.403 2.140 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(OC)cc2)[C@H]1CC ZINC001087807171 805800321 /nfs/dbraw/zinc/80/03/21/805800321.db2.gz WBBSBOMGFINYCX-JKSUJKDBSA-N 0 3 288.391 2.464 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@H]1CC ZINC001087845038 805815489 /nfs/dbraw/zinc/81/54/89/805815489.db2.gz CJANJRHZUYHADH-XHMLNNKLSA-N 0 3 288.435 2.434 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(F)s2)[C@H]1CC ZINC001087846844 805816141 /nfs/dbraw/zinc/81/61/41/805816141.db2.gz ZEJAFGJYUIGDSG-NWDGAFQWSA-N 0 3 294.395 2.493 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CC=CCC3)C[C@@H]2C1 ZINC001088067805 805892782 /nfs/dbraw/zinc/89/27/82/805892782.db2.gz LMCKEGZLOHTHQC-ZACQAIPSSA-N 0 3 286.419 2.146 20 30 CEEDHN CC[C@H](F)CNC[C@@H](CC(C)C)NC(=O)C#CC1CC1 ZINC001271261780 805904830 /nfs/dbraw/zinc/90/48/30/805904830.db2.gz RUKPZRXIDHEKQS-LSDHHAIUSA-N 0 3 282.403 2.268 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCC3(C)C)C[C@@H]2C1 ZINC001088075294 805909914 /nfs/dbraw/zinc/90/99/14/805909914.db2.gz CQYJQSFJWLUAKV-OWCLPIDISA-N 0 3 288.435 2.226 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)nc2)[C@H]1C ZINC001088467324 806273081 /nfs/dbraw/zinc/27/30/81/806273081.db2.gz CLDGGYTZMJIKKY-HIFRSBDPSA-N 0 3 273.380 2.159 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)[C@](C)(F)CCCC ZINC001272049698 806381512 /nfs/dbraw/zinc/38/15/12/806381512.db2.gz SEHLCDQBDRLDDH-CQSZACIVSA-N 0 3 258.381 2.481 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)Cc1cc2ccccc2o1 ZINC001272080220 806462534 /nfs/dbraw/zinc/46/25/34/806462534.db2.gz KCQVKIGXVAZVPK-UHFFFAOYSA-N 0 3 298.386 2.389 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccnn2CCC)[C@H]1C ZINC001088595767 806498047 /nfs/dbraw/zinc/49/80/47/806498047.db2.gz SPMSLAGDPJWCFS-KGLIPLIRSA-N 0 3 290.411 2.062 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1scnc1C1CC1 ZINC001272126166 806557560 /nfs/dbraw/zinc/55/75/60/806557560.db2.gz UMCKRHZENQKSLN-UHFFFAOYSA-N 0 3 279.409 2.210 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)[C@@H](c1cccnc1)C(C)C ZINC001272138324 806562142 /nfs/dbraw/zinc/56/21/42/806562142.db2.gz TVXGBANKYHQPRH-MRXNPFEDSA-N 0 3 289.423 2.397 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)Cc2noc3ccccc23)[C@H]1C ZINC001088718232 806683614 /nfs/dbraw/zinc/68/36/14/806683614.db2.gz YUIBLXOWZKHYDG-OCCSQVGLSA-N 0 3 299.374 2.135 20 30 CEEDHN Cc1noc(C)c1CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000128122225 806708128 /nfs/dbraw/zinc/70/81/28/806708128.db2.gz WVKWNJHECIPZHO-AWEZNQCLSA-N 0 3 297.314 2.182 20 30 CEEDHN CCOCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000128229027 806720826 /nfs/dbraw/zinc/72/08/26/806720826.db2.gz MTSBYUAHXHIXOA-CYBMUJFWSA-N 0 3 274.320 2.151 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3ccco3)[C@@H]2C1 ZINC001076352305 806841503 /nfs/dbraw/zinc/84/15/03/806841503.db2.gz WFSKOWZCYUYFLL-OFQRWUPVSA-N 0 3 288.391 2.177 20 30 CEEDHN C#CCCN(C)CCNC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001266288628 802385939 /nfs/dbraw/zinc/38/59/39/802385939.db2.gz KNLHZAZRPVUOAB-UHFFFAOYSA-N 0 3 299.418 2.454 20 30 CEEDHN C#CCCCCC(=O)N[C@@H]1CC12CCN(CC#CC)CC2 ZINC001266368298 802498310 /nfs/dbraw/zinc/49/83/10/802498310.db2.gz HHWJEUAFPYFJBE-MRXNPFEDSA-N 0 3 286.419 2.174 20 30 CEEDHN C=CCN1CCC(N(CCC)C(=O)C[C@@](C)(O)C=C)CC1 ZINC001266386329 802513312 /nfs/dbraw/zinc/51/33/12/802513312.db2.gz AXYLGZOEEMEIHV-KRWDZBQOSA-N 0 3 294.439 2.203 20 30 CEEDHN C=CCN(CC)CCNC(=O)c1c(Cl)n[nH]c1C1CC1 ZINC001266393861 802517846 /nfs/dbraw/zinc/51/78/46/802517846.db2.gz AQGMYMJBXFKAFZ-UHFFFAOYSA-N 0 3 296.802 2.178 20 30 CEEDHN C=CCOCCN1CC([C@@H](C)NC(=O)[C@H](C)C(C)(C)C)C1 ZINC001282726859 802539651 /nfs/dbraw/zinc/53/96/51/802539651.db2.gz VNUAXLCINKHHAZ-UONOGXRCSA-N 0 3 296.455 2.308 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001266545703 802700656 /nfs/dbraw/zinc/70/06/56/802700656.db2.gz PJHHMNSLHQOBAU-LSDHHAIUSA-N 0 3 264.413 2.130 20 30 CEEDHN C=C(C)CN(CCNC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001266606734 802763931 /nfs/dbraw/zinc/76/39/31/802763931.db2.gz BRJANZNLYNFXNA-QGZVFWFLSA-N 0 3 284.403 2.483 20 30 CEEDHN C=CCN1CCCC[C@H]1CNC(=O)CC[C@@H]1CCCCO1 ZINC001266856603 802947456 /nfs/dbraw/zinc/94/74/56/802947456.db2.gz UXYSAVBZVMHWST-HOTGVXAUSA-N 0 3 294.439 2.492 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccccc3)C[C@H]21 ZINC001041910602 802964447 /nfs/dbraw/zinc/96/44/47/802964447.db2.gz QEVOSMJGRGILGU-GOEBONIOSA-N 0 3 270.376 2.409 20 30 CEEDHN C=CCN1CCC2(CC1)CN(C(=O)CCC)C[C@@H](C)O2 ZINC001098558179 803012837 /nfs/dbraw/zinc/01/28/37/803012837.db2.gz UQYQOQFSLWWANW-CQSZACIVSA-N 0 3 280.412 2.054 20 30 CEEDHN C=C(C)CCC(=O)NCC[C@@H](C)N[C@H](C)c1cnccn1 ZINC001267132268 803153132 /nfs/dbraw/zinc/15/31/32/803153132.db2.gz XWFSUYQOQIJMAK-ZIAGYGMSSA-N 0 3 290.411 2.378 20 30 CEEDHN CCc1ccccc1CN(C)CCNC(=O)C#CC(C)C ZINC001267194619 803219012 /nfs/dbraw/zinc/21/90/12/803219012.db2.gz AAAJAEHZUQNFTI-UHFFFAOYSA-N 0 3 286.419 2.456 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001267195609 803219807 /nfs/dbraw/zinc/21/98/07/803219807.db2.gz HOXOFAAVZMBYMS-AWEZNQCLSA-N 0 3 282.428 2.206 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1c(F)ccc(F)c1OC ZINC001267211048 803236214 /nfs/dbraw/zinc/23/62/14/803236214.db2.gz RTEDGZZMLAQAQQ-UHFFFAOYSA-N 0 3 298.333 2.211 20 30 CEEDHN C#CCCN(C)CCNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001267219756 803245128 /nfs/dbraw/zinc/24/51/28/803245128.db2.gz ZUTPRPQKERAHBN-ZSHCYNCHSA-N 0 3 276.424 2.274 20 30 CEEDHN C=CCN(C)CCNC(=O)c1cccc2cnccc21 ZINC001267230075 803259731 /nfs/dbraw/zinc/25/97/31/803259731.db2.gz GTXBNYRLHLBMLG-UHFFFAOYSA-N 0 3 269.348 2.082 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](C)OCC(C)C ZINC001267261290 803303451 /nfs/dbraw/zinc/30/34/51/803303451.db2.gz STTGTBCRWHTOSA-GJZGRUSLSA-N 0 3 282.428 2.204 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001267296147 803342220 /nfs/dbraw/zinc/34/22/20/803342220.db2.gz HNKHYHCMVYAWNC-ZIAGYGMSSA-N 0 3 264.413 2.130 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)c1cc(C2CC2)on1 ZINC001267316084 803360428 /nfs/dbraw/zinc/36/04/28/803360428.db2.gz FJWCCCCADALEDS-UHFFFAOYSA-N 0 3 289.379 2.017 20 30 CEEDHN C=CCCCN1C[C@@H](NC(=O)C2(C)CC(=C)C2)[C@H](OC)C1 ZINC001213409474 803426519 /nfs/dbraw/zinc/42/65/19/803426519.db2.gz GATVFSKTSOBYFT-HUUCEWRRSA-N 0 3 292.423 2.124 20 30 CEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)CC3CCC3)C(C)(C)[C@H]21 ZINC001087276275 803496665 /nfs/dbraw/zinc/49/66/65/803496665.db2.gz VBAWASKOFKTREQ-PVAVHDDUSA-N 0 3 288.435 2.415 20 30 CEEDHN CC#CCNCCN(C)C(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001267474450 803499730 /nfs/dbraw/zinc/49/97/30/803499730.db2.gz HCKUFTBJMRQQLD-INIZCTEOSA-N 0 3 286.419 2.245 20 30 CEEDHN [NH3+]Cc1nn(-c2cccc(/C=N/[O-])c2)c2ccccc12 ZINC001167697934 803572974 /nfs/dbraw/zinc/57/29/74/803572974.db2.gz IRAIAWXKKDSIDA-LICLKQGHSA-N 0 3 266.304 2.292 20 30 CEEDHN COc1ccc(CN2CCC[C@H](C#N)CC2)cc1N ZINC001140899026 803600928 /nfs/dbraw/zinc/60/09/28/803600928.db2.gz JEZXJXQONXMNLR-LBPRGKRZSA-N 0 3 259.353 2.403 20 30 CEEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC1 ZINC001267705715 803666720 /nfs/dbraw/zinc/66/67/20/803666720.db2.gz KMFJWSKULFECJI-IHRRRGAJSA-N 0 3 262.397 2.426 20 30 CEEDHN C=C[C@@](C)(O)CC(=O)N1C[C@@H]2C[C@H]1CN2CCCC(C)C ZINC001267705376 803666739 /nfs/dbraw/zinc/66/67/39/803666739.db2.gz YAWVPINHWALKBU-YQQAZPJKSA-N 0 3 294.439 2.035 20 30 CEEDHN C=CCOCC(=O)N1C[C@@H]2C[C@H]1CN2CCCCCC ZINC001267707337 803668156 /nfs/dbraw/zinc/66/81/56/803668156.db2.gz TVRLPGFCKWZGIL-GJZGRUSLSA-N 0 3 280.412 2.054 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CCC ZINC001267707443 803668562 /nfs/dbraw/zinc/66/85/62/803668562.db2.gz XIFLDCMYYQAUIA-RDBSUJKOSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)C(C)(C)C)C[C@H]21 ZINC001042324614 803830558 /nfs/dbraw/zinc/83/05/58/803830558.db2.gz XJXQHDOLJQQHKC-QWHCGFSZSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H](F)CC)C[C@H](C)O2 ZINC001098623676 803969733 /nfs/dbraw/zinc/96/97/33/803969733.db2.gz NUHBLUJFYPCXOL-UONOGXRCSA-N 0 3 298.402 2.002 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(C)s2)C1 ZINC001027275523 804015453 /nfs/dbraw/zinc/01/54/53/804015453.db2.gz RPATVFNMSRBXPW-CYBMUJFWSA-N 0 3 276.405 2.226 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C)oc2C)C1 ZINC001027294373 804023125 /nfs/dbraw/zinc/02/31/25/804023125.db2.gz UBRVNZXJJBLLHS-CQSZACIVSA-N 0 3 274.364 2.066 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccn3ccccc23)C1 ZINC001027486526 804088350 /nfs/dbraw/zinc/08/83/50/804088350.db2.gz FZMAPNFLEXOAJT-OAHLLOKOSA-N 0 3 295.386 2.109 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc[nH]c2C2CC2)C1 ZINC001027545966 804116312 /nfs/dbraw/zinc/11/63/12/804116312.db2.gz JUQQGAVYQYXFME-AWEZNQCLSA-N 0 3 285.391 2.062 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@H](CC)SC)CCC[C@H]12 ZINC001284049573 804141496 /nfs/dbraw/zinc/14/14/96/804141496.db2.gz DJXRCWVAULGTIQ-KCQAQPDRSA-N 0 3 282.453 2.427 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2ccccc2C)C1 ZINC001027675412 804191682 /nfs/dbraw/zinc/19/16/82/804191682.db2.gz VRJVGNBEFQIHIS-QGZVFWFLSA-N 0 3 284.403 2.094 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(C)nc1 ZINC001027757536 804241507 /nfs/dbraw/zinc/24/15/07/804241507.db2.gz DDBQMOQZJFOIQE-HNNXBMFYSA-N 0 3 273.380 2.160 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc[nH]c1C ZINC001027814773 804271644 /nfs/dbraw/zinc/27/16/44/804271644.db2.gz CGRSJKGQXUWLHB-ZDUSSCGKSA-N 0 3 261.369 2.093 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc2cc[nH]c2n1 ZINC001027949853 804358544 /nfs/dbraw/zinc/35/85/44/804358544.db2.gz FOZFFEMHYMGNEY-AWEZNQCLSA-N 0 3 298.390 2.333 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc2n[nH]cc2c1 ZINC001028104794 804461904 /nfs/dbraw/zinc/46/19/04/804461904.db2.gz MMACFVVDUXCYPF-HNNXBMFYSA-N 0 3 298.390 2.333 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001028110250 804467892 /nfs/dbraw/zinc/46/78/92/804467892.db2.gz BWRPFJRIWQIPFS-MRXNPFEDSA-N 0 3 295.386 2.385 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001028147139 804494174 /nfs/dbraw/zinc/49/41/74/804494174.db2.gz OUNOKLMBPYNLBX-RBSFLKMASA-N 0 3 264.413 2.435 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001028166850 804509692 /nfs/dbraw/zinc/50/96/92/804509692.db2.gz OONGZVWARDGVHR-AWEZNQCLSA-N 0 3 275.396 2.402 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001028169265 804511698 /nfs/dbraw/zinc/51/16/98/804511698.db2.gz VMAXHESCZTVETA-INIZCTEOSA-N 0 3 295.386 2.385 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1ccc(F)cc1C ZINC001268255305 804577731 /nfs/dbraw/zinc/57/77/31/804577731.db2.gz WQTYYPWPPRDLCD-UHFFFAOYSA-N 0 3 264.344 2.324 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2[nH]c(C)nc21 ZINC001028245835 804608842 /nfs/dbraw/zinc/60/88/42/804608842.db2.gz KGFWWRXFTOAOLH-ZDUSSCGKSA-N 0 3 298.390 2.252 20 30 CEEDHN C=CCCC(=O)N[C@H](C)CCN[C@@H](C)c1cnc(C)cn1 ZINC001268351524 804626646 /nfs/dbraw/zinc/62/66/46/804626646.db2.gz VXYWDJLSDHUXME-OCCSQVGLSA-N 0 3 290.411 2.297 20 30 CEEDHN C=C(C)CCC(=O)N[C@@H](C)CCNCc1ocnc1C ZINC001268370125 804636770 /nfs/dbraw/zinc/63/67/70/804636770.db2.gz IAQBUHREHKCOGF-LBPRGKRZSA-N 0 3 279.384 2.324 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001028293819 804696210 /nfs/dbraw/zinc/69/62/10/804696210.db2.gz PCVMQVZWXDOGHG-OAHLLOKOSA-N 0 3 288.391 2.466 20 30 CEEDHN C#CCNC/C=C\CNC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001268575750 804843676 /nfs/dbraw/zinc/84/36/76/804843676.db2.gz QDXQUHHYVSSRLZ-ILNYKDOHSA-N 0 3 274.408 2.098 20 30 CEEDHN C=C1CC(C)(C(=O)NC/C=C/CNC[C@@H](F)CC)C1 ZINC001268590234 804859581 /nfs/dbraw/zinc/85/95/81/804859581.db2.gz KEFMGGKSJVDRHX-GFUIURDCSA-N 0 3 268.376 2.353 20 30 CEEDHN C#CCNC/C=C\CNC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC001268590945 804859919 /nfs/dbraw/zinc/85/99/19/804859919.db2.gz LLDUBMMMUMUOGJ-GIFJBRJJSA-N 0 3 298.430 2.397 20 30 CEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H]2CC=CCC2)[C@H](OC)C1 ZINC001211833593 804860030 /nfs/dbraw/zinc/86/00/30/804860030.db2.gz FQRWUXURIZPVKM-BZUAXINKSA-N 0 3 292.423 2.124 20 30 CEEDHN CC#CCNC/C=C/CNC(=O)c1ccoc1C(C)C ZINC001268635107 804897405 /nfs/dbraw/zinc/89/74/05/804897405.db2.gz YIWUQXKRMJTQCX-VOTSOKGWSA-N 0 3 274.364 2.302 20 30 CEEDHN CC#CCNC/C=C\CNC(=O)c1ccoc1C(C)C ZINC001268635106 804897740 /nfs/dbraw/zinc/89/77/40/804897740.db2.gz YIWUQXKRMJTQCX-SREVYHEPSA-N 0 3 274.364 2.302 20 30 CEEDHN CC(C)=CC(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001268635985 804898488 /nfs/dbraw/zinc/89/84/88/804898488.db2.gz PEANHXCPMTYBIB-LLVKDONJSA-N 0 3 277.393 2.180 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H](C)CNCc2cncc(F)c2)C1 ZINC001268702886 804933854 /nfs/dbraw/zinc/93/38/54/804933854.db2.gz HBMYTDJLUUZDFR-LBPRGKRZSA-N 0 3 291.370 2.171 20 30 CEEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1cccc(C)c1 ZINC001268721856 804943013 /nfs/dbraw/zinc/94/30/13/804943013.db2.gz ZKVKCDAGURRGCZ-HNNXBMFYSA-N 0 3 290.407 2.248 20 30 CEEDHN C=CCCC(=O)N[C@H](C)CN(C)C[C@H]1CC(C)(C)CO1 ZINC001268726021 804946003 /nfs/dbraw/zinc/94/60/03/804946003.db2.gz WQRFGFKPTMJNTN-ZIAGYGMSSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCN(C)C[C@H](C)NC(=O)Cc1ccc2cccnc2c1 ZINC001268735473 804952408 /nfs/dbraw/zinc/95/24/08/804952408.db2.gz MJQCULPASMOZFC-AWEZNQCLSA-N 0 3 297.402 2.400 20 30 CEEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H](C)c1cccc(OC)c1 ZINC001268760295 804962265 /nfs/dbraw/zinc/96/22/65/804962265.db2.gz UHYCOUZNZAABKI-ZIAGYGMSSA-N 0 3 290.407 2.421 20 30 CEEDHN C=CCCC(=O)N(C)[C@@H]1CCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001269221780 805090880 /nfs/dbraw/zinc/09/08/80/805090880.db2.gz OPULLJSLXGMBIT-HUUCEWRRSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](C)C(F)(F)F ZINC001269273348 805107794 /nfs/dbraw/zinc/10/77/94/805107794.db2.gz VZUQOBFOBNRVTD-WDEREUQCSA-N 0 3 278.318 2.342 20 30 CEEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(C[C@@H](C)O)C2)CCCC1 ZINC001269301993 805119515 /nfs/dbraw/zinc/11/95/15/805119515.db2.gz PDDBDPPIRMSAPE-CABCVRRESA-N 0 3 294.439 2.036 20 30 CEEDHN C=CCOCCN1CC[C@@H](N(CC)C(=O)CC(C)C)C1 ZINC001269307238 805123436 /nfs/dbraw/zinc/12/34/36/805123436.db2.gz PBALBOWUUREHAG-OAHLLOKOSA-N 0 3 282.428 2.158 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)C1(CC=C)CCOCC1 ZINC001269339168 805135653 /nfs/dbraw/zinc/13/56/53/805135653.db2.gz WZMZJELPGIQLDJ-OAHLLOKOSA-N 0 3 292.423 2.126 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001028707899 805142170 /nfs/dbraw/zinc/14/21/70/805142170.db2.gz ZYYOSZGFDNICID-WCXIOVBPSA-N 0 3 288.435 2.274 20 30 CEEDHN CC#CCNC1(CNC(=O)C(C)(CC)CC)CC1 ZINC001269540646 805192442 /nfs/dbraw/zinc/19/24/42/805192442.db2.gz HUDWFJVTKWFJQA-UHFFFAOYSA-N 0 3 250.386 2.074 20 30 CEEDHN C=C[C@](C)(CC)C(=O)NC[C@H](CC)NCc1cnn(C)c1 ZINC001269466401 805173907 /nfs/dbraw/zinc/17/39/07/805173907.db2.gz LMWRNDZQFWTVEB-GOEBONIOSA-N 0 3 292.427 2.007 20 30 CEEDHN C#CCNC1(CNC(=O)[C@]2(C)CC[C@H](C)C2(C)C)CC1 ZINC001269501811 805181083 /nfs/dbraw/zinc/18/10/83/805181083.db2.gz DYEXSYWDFZSWCI-BBRMVZONSA-N 0 3 276.424 2.320 20 30 CEEDHN C#CCNC1(CNC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC001269530768 805189714 /nfs/dbraw/zinc/18/97/14/805189714.db2.gz YWQYUXKYFLAVEG-UHFFFAOYSA-N 0 3 282.387 2.051 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc[nH]c2CCC)C1 ZINC001028759242 805215952 /nfs/dbraw/zinc/21/59/52/805215952.db2.gz PPHMUVSJJATQFB-AWEZNQCLSA-N 0 3 287.407 2.042 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001028793727 805259075 /nfs/dbraw/zinc/25/90/75/805259075.db2.gz ZYKXMRGKRUBJOD-VYDXJSESSA-N 0 3 274.408 2.028 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001028934728 805369368 /nfs/dbraw/zinc/36/93/68/805369368.db2.gz MDNYWHDZMQFRNN-HNNXBMFYSA-N 0 3 294.398 2.331 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001028947436 805377001 /nfs/dbraw/zinc/37/70/01/805377001.db2.gz VGTAEJJUUAVEAQ-OAHLLOKOSA-N 0 3 270.376 2.070 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2cccc(Cl)c2)C1 ZINC001028947958 805377582 /nfs/dbraw/zinc/37/75/82/805377582.db2.gz BPPARJZQKWNUEN-LBPRGKRZSA-N 0 3 276.767 2.025 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001028947435 805378306 /nfs/dbraw/zinc/37/83/06/805378306.db2.gz VGTAEJJUUAVEAQ-HNNXBMFYSA-N 0 3 270.376 2.070 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001028953594 805382087 /nfs/dbraw/zinc/38/20/87/805382087.db2.gz IUQNXOPOQCVDOK-INIZCTEOSA-N 0 3 284.403 2.378 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2cc(C)c(CC)s2)C1 ZINC001028971817 805394040 /nfs/dbraw/zinc/39/40/40/805394040.db2.gz XIBSCOUNVIERQJ-CYBMUJFWSA-N 0 3 290.432 2.304 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)C2CCC=CCC2)C1 ZINC001028991035 805409664 /nfs/dbraw/zinc/40/96/64/805409664.db2.gz WQOXSYGJWOAHJS-OAHLLOKOSA-N 0 3 274.408 2.194 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001029004943 805427100 /nfs/dbraw/zinc/42/71/00/805427100.db2.gz OHXFZQXJBMYKJQ-AWEZNQCLSA-N 0 3 296.370 2.426 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001149139335 805460624 /nfs/dbraw/zinc/46/06/24/805460624.db2.gz ZLWGOZROCSBZMO-CVEARBPZSA-N 0 3 292.423 2.126 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)Cc2csc(CC)n2)C1 ZINC001270660049 805509554 /nfs/dbraw/zinc/50/95/54/805509554.db2.gz YQCLJQIUEJZIGO-HNNXBMFYSA-N 0 3 293.436 2.015 20 30 CEEDHN CC(C)(CNC(=O)[C@@H](N)CCCCC#N)CC(F)F ZINC001119307217 815087903 /nfs/dbraw/zinc/08/79/03/815087903.db2.gz NOJRAHLEPFRAGK-JTQLQIEISA-N 0 3 275.343 2.195 20 30 CEEDHN CC(C)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCC#N ZINC001119322290 815091028 /nfs/dbraw/zinc/09/10/28/815091028.db2.gz NTNHZDMJUOXHQT-JKSUJKDBSA-N 0 3 287.407 2.391 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)[C@H]1C ZINC001088871951 807249057 /nfs/dbraw/zinc/24/90/57/807249057.db2.gz QOLFQFGNAUZQLH-XBVQOTNRSA-N 0 3 299.418 2.340 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3nccnc32)[C@H]1C ZINC001088938727 807285505 /nfs/dbraw/zinc/28/55/05/807285505.db2.gz DMDRZKGQDUAUAN-OCCSQVGLSA-N 0 3 296.374 2.008 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CC=CC2)C1 ZINC001098766795 807287487 /nfs/dbraw/zinc/28/74/87/807287487.db2.gz OMCFEKGUFFWGOU-HOCLYGCPSA-N 0 3 260.381 2.109 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)C1CC1)C2 ZINC001045926534 807293083 /nfs/dbraw/zinc/29/30/83/807293083.db2.gz GGXYINFQKTZTOX-CRAIPNDOSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CC23CCCC3)[C@H]1C ZINC001088961012 807296611 /nfs/dbraw/zinc/29/66/11/807296611.db2.gz LACWGBKSHLWJJK-KFWWJZLASA-N 0 3 274.408 2.169 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001121839526 807516450 /nfs/dbraw/zinc/51/64/50/807516450.db2.gz GYTQXICGXVBCHE-CYBMUJFWSA-N 0 3 291.351 2.237 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)CC2(C)CCCC2)[C@H](OC)C1 ZINC001212225836 807936509 /nfs/dbraw/zinc/93/65/09/807936509.db2.gz QUFXMMNCPCVPND-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN CCc1ccc(CCC(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000130681133 808022549 /nfs/dbraw/zinc/02/25/49/808022549.db2.gz ZNTPONSCWZUKOP-HNNXBMFYSA-N 0 3 286.375 2.415 20 30 CEEDHN CC#CCNCCNC(=O)c1cccc(C(F)F)c1F ZINC001127524221 808025571 /nfs/dbraw/zinc/02/55/71/808025571.db2.gz LDDABFWKFCJLQX-UHFFFAOYSA-N 0 3 284.281 2.106 20 30 CEEDHN C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001032318160 808435089 /nfs/dbraw/zinc/43/50/89/808435089.db2.gz HXDHSIUDIBPWOD-SNPRPXQTSA-N 0 3 287.407 2.011 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccoc1 ZINC001032371286 808539799 /nfs/dbraw/zinc/53/97/99/808539799.db2.gz LEGRIZSPLROHQA-GJZGRUSLSA-N 0 3 274.364 2.073 20 30 CEEDHN CCCCCCC[C@H](C)NC(=O)NC[C@H]1CNCCO1 ZINC001239206102 808544029 /nfs/dbraw/zinc/54/40/29/808544029.db2.gz BXFACKGPMAJJIB-UONOGXRCSA-N 0 3 285.432 2.023 20 30 CEEDHN C=CCN(CC=C)[C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 ZINC001171712249 815216949 /nfs/dbraw/zinc/21/69/49/815216949.db2.gz ATRUFPLZMPRQEB-LBPRGKRZSA-N 0 3 280.368 2.196 20 30 CEEDHN CCCCCCCCOC(=O)NC[C@@H]1CNCCO1 ZINC001239315734 808565660 /nfs/dbraw/zinc/56/56/60/808565660.db2.gz UWCQFCVDRIZLSB-ZDUSSCGKSA-N 0 3 272.389 2.062 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCCC ZINC001032410885 808587560 /nfs/dbraw/zinc/58/75/60/808587560.db2.gz AYWJZGDTYNKTBC-JONQDZQNSA-N 0 3 292.423 2.053 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1 ZINC001032481507 808636189 /nfs/dbraw/zinc/63/61/89/808636189.db2.gz NHZMICLVYLVHSJ-HOTGVXAUSA-N 0 3 270.376 2.090 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2[nH]ncc21 ZINC001032553165 808694161 /nfs/dbraw/zinc/69/41/61/808694161.db2.gz PWXDXHRFGPNQMJ-STQMWFEESA-N 0 3 296.374 2.038 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1C ZINC001032596217 808720964 /nfs/dbraw/zinc/72/09/64/808720964.db2.gz WPIFWKAHOHMXJC-GJZGRUSLSA-N 0 3 285.391 2.255 20 30 CEEDHN CCCC(O)(CCC)CNC[C@H](C#N)CCC#N ZINC001120581992 815240376 /nfs/dbraw/zinc/24/03/76/815240376.db2.gz DXPAPEWDYIOICL-ZDUSSCGKSA-N 0 3 251.374 2.351 20 30 CEEDHN N#CCCN[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171864446 815246794 /nfs/dbraw/zinc/24/67/94/815246794.db2.gz SOVSFAYFZNBPTH-HNNXBMFYSA-N 0 3 271.364 2.185 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C[C@@H](C)C3CC3)C2)C1 ZINC001040544878 808991746 /nfs/dbraw/zinc/99/17/46/808991746.db2.gz LZRQNNZWSZWOJH-QAPCUYQASA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](C)C(C)(C)C)[C@H](OC)C1 ZINC001212470045 809013915 /nfs/dbraw/zinc/01/39/15/809013915.db2.gz SUSMLWYOWHALBG-RBSFLKMASA-N 0 3 296.455 2.450 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc(C)c2F)C1 ZINC001033099813 809176604 /nfs/dbraw/zinc/17/66/04/809176604.db2.gz KNGUSSXPMWDLSC-CQSZACIVSA-N 0 3 288.366 2.304 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CCC2(F)F)C1 ZINC001033184102 809227317 /nfs/dbraw/zinc/22/73/17/809227317.db2.gz ZCSDFFKTTBFGTR-VXGBXAGGSA-N 0 3 272.339 2.141 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c[nH]nc2CCC)C1 ZINC001033213174 809236686 /nfs/dbraw/zinc/23/66/86/809236686.db2.gz HVBAHWYHISQBAR-ZDUSSCGKSA-N 0 3 290.411 2.085 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccnc2C2CC2)C1 ZINC001033226923 809239920 /nfs/dbraw/zinc/23/99/20/809239920.db2.gz XLZZMFYAMHGHTJ-OAHLLOKOSA-N 0 3 297.402 2.129 20 30 CEEDHN CNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cccc(C(C)C)c1 ZINC000133492762 809253045 /nfs/dbraw/zinc/25/30/45/809253045.db2.gz GKIFFZWFSJYOPU-RISCZKNCSA-N 0 3 288.347 2.032 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)C2(C3CC3)CCC2)C1 ZINC001033301675 809261928 /nfs/dbraw/zinc/26/19/28/809261928.db2.gz UHNGTPFAOGQDKA-HNNXBMFYSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(F)ccc2C)C1 ZINC001033304329 809262872 /nfs/dbraw/zinc/26/28/72/809262872.db2.gz RRTGOAFMMWODNF-HNNXBMFYSA-N 0 3 288.366 2.304 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc[nH]c2CCC)C1 ZINC001033342435 809277785 /nfs/dbraw/zinc/27/77/85/809277785.db2.gz HAYXYYLFHAVPIK-CQSZACIVSA-N 0 3 287.407 2.137 20 30 CEEDHN CCN1CC[C@@H](N(CCC#N)C2CCCC2)CC1=O ZINC001172043362 815277230 /nfs/dbraw/zinc/27/72/30/815277230.db2.gz NJRWVKBODRZNFS-CQSZACIVSA-N 0 3 263.385 2.156 20 30 CEEDHN C=C1CCC(C(=O)N(C)[C@H]2CCN([C@H](C)COC)C2)CC1 ZINC001033388505 809291005 /nfs/dbraw/zinc/29/10/05/809291005.db2.gz CHRSKUYISZKDQQ-ZBFHGGJFSA-N 0 3 294.439 2.300 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)c2cccs2)C1 ZINC001033416115 809294842 /nfs/dbraw/zinc/29/48/42/809294842.db2.gz IVJIBTRBAFMFSL-KGLIPLIRSA-N 0 3 290.432 2.408 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(C)cc(F)c2)C1 ZINC001033446933 809305540 /nfs/dbraw/zinc/30/55/40/809305540.db2.gz PMBCCCCEZZDAOH-MRXNPFEDSA-N 0 3 288.366 2.304 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)[nH]c2C)C1 ZINC001033459440 809308500 /nfs/dbraw/zinc/30/85/00/809308500.db2.gz KRRSSCNMFLWZOA-AWEZNQCLSA-N 0 3 275.396 2.354 20 30 CEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2ccc(OC)o2)C1 ZINC001033530544 809329657 /nfs/dbraw/zinc/32/96/57/809329657.db2.gz QPRCCKMMPMYQQU-LBPRGKRZSA-N 0 3 278.352 2.011 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccnc2)C1 ZINC001033590274 809350191 /nfs/dbraw/zinc/35/01/91/809350191.db2.gz QXWGACVGKBKPCW-GOEBONIOSA-N 0 3 287.407 2.294 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(CC)cc2)C1 ZINC001033631792 809366903 /nfs/dbraw/zinc/36/69/03/809366903.db2.gz VGCMUESZSTYSGM-KRWDZBQOSA-N 0 3 284.403 2.419 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C2CCC2)C1 ZINC001033722173 809387413 /nfs/dbraw/zinc/38/74/13/809387413.db2.gz LAWLRHWLZWFPCT-CQSZACIVSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)CC2=CCCCC2)[C@@H](O)C1 ZINC001090149550 809445987 /nfs/dbraw/zinc/44/59/87/809445987.db2.gz MIKPYKOJRJWRDG-HOTGVXAUSA-N 0 3 292.423 2.004 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(C#C)cc2)C1 ZINC001033921712 809452447 /nfs/dbraw/zinc/45/24/47/809452447.db2.gz CJNBDKGPIGFTTB-GOSISDBHSA-N 0 3 294.398 2.228 20 30 CEEDHN C=C1CCC(C(=O)N(CC)[C@H]2CCN(C[C@H](C)O)C2)CC1 ZINC001033945070 809462702 /nfs/dbraw/zinc/46/27/02/809462702.db2.gz KDCGECRSAXTBDF-HOCLYGCPSA-N 0 3 294.439 2.036 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CC23CC3)C1 ZINC001033968567 809466339 /nfs/dbraw/zinc/46/63/39/809466339.db2.gz KWGCCCBZZQTYFH-KBPBESRZSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2ccccc2)C1 ZINC001034080851 809503609 /nfs/dbraw/zinc/50/36/09/809503609.db2.gz PPFMBWFUWJHEJR-HNNXBMFYSA-N 0 3 258.365 2.457 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC001034142527 809523288 /nfs/dbraw/zinc/52/32/88/809523288.db2.gz MLIYZRUHPLNUOK-AWEZNQCLSA-N 0 3 290.411 2.187 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001034146544 809532496 /nfs/dbraw/zinc/53/24/96/809532496.db2.gz MHNVAUWJFGPTKC-JSGCOSHPSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001034185609 809542865 /nfs/dbraw/zinc/54/28/65/809542865.db2.gz SXPPIGHAJNRPNC-SRVKXCTJSA-N 0 3 272.339 2.044 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001034195507 809549767 /nfs/dbraw/zinc/54/97/67/809549767.db2.gz RSQBPOYQGULLTR-VXGBXAGGSA-N 0 3 272.339 2.188 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC001034261278 809565221 /nfs/dbraw/zinc/56/52/21/809565221.db2.gz UUEOSMGDEPXVJK-VXGBXAGGSA-N 0 3 272.339 2.188 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnoc2CC)C1 ZINC001034423414 809601702 /nfs/dbraw/zinc/60/17/02/809601702.db2.gz IKHMIEGVRUTLDO-ZDUSSCGKSA-N 0 3 291.395 2.397 20 30 CEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)C#CC(C)C)C2 ZINC001121077774 815309459 /nfs/dbraw/zinc/30/94/59/815309459.db2.gz XJRCYRVDQZOVPY-UHFFFAOYSA-N 0 3 294.826 2.415 20 30 CEEDHN CCC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001034836650 809704861 /nfs/dbraw/zinc/70/48/61/809704861.db2.gz ORLXMLXDRVTHDV-LLVKDONJSA-N 0 3 277.393 2.110 20 30 CEEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001034884494 809715401 /nfs/dbraw/zinc/71/54/01/809715401.db2.gz HSNFWIXQGINGNP-GXTWGEPZSA-N 0 3 289.354 2.066 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H](C)CCc1ccc(F)cc1 ZINC001129024012 809716740 /nfs/dbraw/zinc/71/67/40/809716740.db2.gz FDFONTMRRJOAJE-AWEZNQCLSA-N 0 3 290.382 2.124 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1C[C@H]1C)CC2 ZINC001035640725 809799525 /nfs/dbraw/zinc/79/95/25/809799525.db2.gz DAKYARFMRZQVCE-KGLIPLIRSA-N 0 3 262.397 2.143 20 30 CEEDHN CN1C[C@]2(C)CN(c3nc(Cl)c(C#N)s3)C[C@@]2(C)C1 ZINC000706200425 809806431 /nfs/dbraw/zinc/80/64/31/809806431.db2.gz HRQYRMOXDSIKGU-CHWSQXEVSA-N 0 3 296.827 2.446 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H](F)C1)CC2 ZINC001035777545 809816337 /nfs/dbraw/zinc/81/63/37/809816337.db2.gz LQVZTLUHINEUHV-CABCVRRESA-N 0 3 292.398 2.072 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]1C(C)C)CC2 ZINC001035830569 809821666 /nfs/dbraw/zinc/82/16/66/809821666.db2.gz RDSHQKZNWZZWIF-CVEARBPZSA-N 0 3 288.435 2.226 20 30 CEEDHN CCC(=O)N1CC[C@@H](NCc2ccccc2C#N)[C@H](C)C1 ZINC001035872103 809828526 /nfs/dbraw/zinc/82/85/26/809828526.db2.gz CTQVCZNAAWOSPN-CZUORRHYSA-N 0 3 285.391 2.295 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CC[C@H](C(F)F)C2)cc1 ZINC000707135172 809881369 /nfs/dbraw/zinc/88/13/69/809881369.db2.gz FLOYIVSPWBUMNZ-QWHCGFSZSA-N 0 3 266.291 2.179 20 30 CEEDHN CC(=O)N1CCC[C@@H](C)[C@H]1CNCc1ccc(C#N)s1 ZINC001036478303 809907292 /nfs/dbraw/zinc/90/72/92/809907292.db2.gz AEVNSFYOCOYVLL-IAQYHMDHSA-N 0 3 291.420 2.356 20 30 CEEDHN CCCCCC[C@@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000709453445 809961877 /nfs/dbraw/zinc/96/18/77/809961877.db2.gz DCBJBLZOQOEQIV-OLZOCXBDSA-N 0 3 253.390 2.483 20 30 CEEDHN N=C(NC1C[C@H]2CC[C@@H](C1)O2)c1ccc(Cl)cn1 ZINC001172219724 815337047 /nfs/dbraw/zinc/33/70/47/815337047.db2.gz LVYGKJJIZQWMFQ-FGWVZKOKSA-N 0 3 265.744 2.150 20 30 CEEDHN O=C(C#CC1CC1)N1CC[C@@H]2[C@@H](CCN2C/C=C\Cl)C1 ZINC001036708945 810088550 /nfs/dbraw/zinc/08/85/50/810088550.db2.gz NOYAJAHXXZYULR-CTWILNAASA-N 0 3 292.810 2.075 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001014922786 810246599 /nfs/dbraw/zinc/24/65/99/810246599.db2.gz CVLHDMYQZPNESP-UONOGXRCSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001080192884 810255033 /nfs/dbraw/zinc/25/50/33/810255033.db2.gz RTAGKRJXMHAYBB-FRRDWIJNSA-N 0 3 286.366 2.434 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001015462015 810294470 /nfs/dbraw/zinc/29/44/70/810294470.db2.gz MHZYSGRJFNMOLI-OAHLLOKOSA-N 0 3 296.370 2.189 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001015702822 810335781 /nfs/dbraw/zinc/33/57/81/810335781.db2.gz ULVDDJXAHCGZTH-AWEZNQCLSA-N 0 3 285.391 2.110 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CCC2(C)C)[C@H](OC)C1 ZINC001082043888 810362144 /nfs/dbraw/zinc/36/21/44/810362144.db2.gz SBOLVVYTNRLBCZ-RBSFLKMASA-N 0 3 294.439 2.204 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H](OC)C1 ZINC001082335505 810374885 /nfs/dbraw/zinc/37/48/85/810374885.db2.gz QTQYSBRMWDLRBE-KLHDSHLOSA-N 0 3 294.439 2.204 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2sccc2OC)C1 ZINC001016051723 810393305 /nfs/dbraw/zinc/39/33/05/810393305.db2.gz DFGSVXSUXNFFHK-LLVKDONJSA-N 0 3 280.393 2.137 20 30 CEEDHN CCCCCCCC[C@H](N)C(=O)NCc1[nH]cnc1C ZINC001121926766 815367442 /nfs/dbraw/zinc/36/74/42/815367442.db2.gz RWEJSABNYMFSSP-ZDUSSCGKSA-N 0 3 280.416 2.412 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001016204960 810413933 /nfs/dbraw/zinc/41/39/33/810413933.db2.gz GBYVRGQUHBNCBH-INIZCTEOSA-N 0 3 284.403 2.178 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC001172316761 815368909 /nfs/dbraw/zinc/36/89/09/815368909.db2.gz WZKIXJKRVLJOHR-RISCZKNCSA-N 0 3 298.308 2.488 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001016345327 810424682 /nfs/dbraw/zinc/42/46/82/810424682.db2.gz IDGQLUNSSGHFPA-CKUJCDMFSA-N 0 3 274.408 2.027 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC001172316760 815369566 /nfs/dbraw/zinc/36/95/66/815369566.db2.gz WZKIXJKRVLJOHR-FZMZJTMJSA-N 0 3 298.308 2.488 20 30 CEEDHN C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001084199113 810446813 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C#C[C@@H](NC(=O)NC[C@@H]1CCCCN1C)c1ccccc1 ZINC001121964463 815371754 /nfs/dbraw/zinc/37/17/54/815371754.db2.gz FILQWQKSGAJZBH-JKSUJKDBSA-N 0 3 285.391 2.144 20 30 CEEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(C)co3)[C@@H]2C1 ZINC001084594353 810484678 /nfs/dbraw/zinc/48/46/78/810484678.db2.gz FDEJKXLHAXLEHJ-ZIAGYGMSSA-N 0 3 274.364 2.310 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cc[nH]c3C3CC3)[C@@H]2C1 ZINC001084613287 810488056 /nfs/dbraw/zinc/48/80/56/810488056.db2.gz BHPJFHRFMDYDOL-GDBMZVCRSA-N 0 3 297.402 2.062 20 30 CEEDHN CC1(C)C[C@H](N2CCc3cc(C#N)ccc3C2)CO1 ZINC001172283896 815376412 /nfs/dbraw/zinc/37/64/12/815376412.db2.gz MKKCZIUFCJNZJO-HNNXBMFYSA-N 0 3 256.349 2.484 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3cccc(C)c3C)[C@@H]2C1 ZINC001084808071 810525055 /nfs/dbraw/zinc/52/50/55/810525055.db2.gz WPOFJOXQYIFOFX-SJLPKXTDSA-N 0 3 296.414 2.473 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)Cc3ccccc3C)[C@@H]2C1 ZINC001084821394 810525912 /nfs/dbraw/zinc/52/59/12/810525912.db2.gz 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C#CCN[C@H]1CCN(C(=O)[C@@H](CC)Cc2ccccc2C)C1 ZINC001019653282 810727180 /nfs/dbraw/zinc/72/71/80/810727180.db2.gz HYSOYRSTBFAUBF-WMZOPIPTSA-N 0 3 298.430 2.387 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001019842972 810744622 /nfs/dbraw/zinc/74/46/22/810744622.db2.gz PXZBPPBETNIIMR-KGLIPLIRSA-N 0 3 262.397 2.027 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001020334518 810790991 /nfs/dbraw/zinc/79/09/91/810790991.db2.gz LTAGVDOYMUTNNG-JOCQHMNTSA-N 0 3 293.798 2.301 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccncc1C ZINC001038234408 810812904 /nfs/dbraw/zinc/81/29/04/810812904.db2.gz LNTJRKFCBBIYMQ-AWEZNQCLSA-N 0 3 273.380 2.160 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC1(C)C ZINC001085553181 810820853 /nfs/dbraw/zinc/82/08/53/810820853.db2.gz YJVKIXKJMXTJRH-STQMWFEESA-N 0 3 250.386 2.141 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ncc(C)cc1C ZINC001038545349 810859976 /nfs/dbraw/zinc/85/99/76/810859976.db2.gz FKDQCWGZMRWJSR-OAHLLOKOSA-N 0 3 287.407 2.469 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc2cccn2cn1 ZINC001085668590 810868263 /nfs/dbraw/zinc/86/82/63/810868263.db2.gz HBMNSEFBQGPFHX-HNNXBMFYSA-N 0 3 298.390 2.057 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)CCC(F)(F)F ZINC001143146656 816791405 /nfs/dbraw/zinc/79/14/05/816791405.db2.gz DKNNFQKKKFQWII-JTQLQIEISA-N 0 3 264.291 2.096 20 30 CEEDHN C=CCCCN(CC)C(=O)[C@@]1(N)C[C@H](OCC)C1(C)C ZINC001122403958 815408623 /nfs/dbraw/zinc/40/86/23/815408623.db2.gz MOTKXCIGHADTGJ-BBRMVZONSA-N 0 3 282.428 2.334 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c[nH]cc1C ZINC001085969605 810988351 /nfs/dbraw/zinc/98/83/51/810988351.db2.gz GHIUCVWAWXDKJK-ZDUSSCGKSA-N 0 3 261.369 2.046 20 30 CEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)/C=C\C2CC2)C1 ZINC001039196119 810996820 /nfs/dbraw/zinc/99/68/20/810996820.db2.gz RPRXYRNZPYTQGB-LZDOZHLXSA-N 0 3 286.419 2.289 20 30 CEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCC1 ZINC001039357296 811018467 /nfs/dbraw/zinc/01/84/67/811018467.db2.gz RWVUXGRITJZNAL-CABCVRRESA-N 0 3 260.381 2.348 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CC1 ZINC001039375667 811021729 /nfs/dbraw/zinc/02/17/29/811021729.db2.gz QSZJLUGGUSZJKE-OLZOCXBDSA-N 0 3 296.361 2.120 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1C ZINC001039427010 811029435 /nfs/dbraw/zinc/02/94/35/811029435.db2.gz CHLDLIOTPGFSTF-CVEARBPZSA-N 0 3 297.402 2.092 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H](F)C2)C1 ZINC001086179238 811052989 /nfs/dbraw/zinc/05/29/89/811052989.db2.gz GOVDHNKDFAIATF-ZDEQEGDKSA-N 0 3 288.794 2.362 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1cccnc1 ZINC001122496764 815418264 /nfs/dbraw/zinc/41/82/64/815418264.db2.gz PQXVKSHUJLPFTF-CQSZACIVSA-N 0 3 287.363 2.029 20 30 CEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3ccsn3)C2)C1 ZINC001040259507 811099777 /nfs/dbraw/zinc/09/97/77/811099777.db2.gz XEAIKHFIBLNLEG-HNNXBMFYSA-N 0 3 291.420 2.257 20 30 CEEDHN CC#CCN1CCC2(CCN(C(=O)CC(C)C)C2)CC1 ZINC001040585307 811117116 /nfs/dbraw/zinc/11/71/16/811117116.db2.gz 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/nfs/dbraw/zinc/19/54/82/811195482.db2.gz NPDVEUWRTFSZBO-IBGZPJMESA-N 0 3 296.414 2.475 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)c3ccccc3)C[C@@H]21 ZINC001041906716 811212409 /nfs/dbraw/zinc/21/24/09/811212409.db2.gz NJRFCBBKUIMPIO-WBVHZDCISA-N 0 3 282.387 2.246 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3occc3C)C[C@H]21 ZINC001041942054 811218907 /nfs/dbraw/zinc/21/89/07/811218907.db2.gz LXYZKHJHHZNKFB-ZIAGYGMSSA-N 0 3 274.364 2.310 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CC3CCC3)C[C@H]21 ZINC001041998744 811230098 /nfs/dbraw/zinc/23/00/98/811230098.db2.gz XVZMTUJRGLDFIR-HZPDHXFCSA-N 0 3 274.408 2.123 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3csc(C)n3)C[C@@H]21 ZINC001042196882 811253545 /nfs/dbraw/zinc/25/35/45/811253545.db2.gz SYUVBLBNZOLFIA-JSGCOSHPSA-N 0 3 291.420 2.174 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(C)CC(=C)C3)C[C@@H]21 ZINC001042226816 811258338 /nfs/dbraw/zinc/25/83/38/811258338.db2.gz FYLHZAWHEHDILR-GJZGRUSLSA-N 0 3 274.408 2.452 20 30 CEEDHN Cc1ccccc1C(=O)NCCNCc1cccc(C#N)c1 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C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1occc1C)C2 ZINC001054086054 812533802 /nfs/dbraw/zinc/53/38/02/812533802.db2.gz FVVFEBIWJWATLM-QGZVFWFLSA-N 0 3 286.375 2.149 20 30 CEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C1(C)CC1)C2 ZINC001054137444 812542743 /nfs/dbraw/zinc/54/27/43/812542743.db2.gz PZCPQFLSQBPJCX-QGZVFWFLSA-N 0 3 274.408 2.124 20 30 CEEDHN N#Cc1cccc(CNCCNC(=O)[C@H]2CCCC23CC3)c1 ZINC001130208244 812544383 /nfs/dbraw/zinc/54/43/83/812544383.db2.gz GUSLZWMWOSQDGW-MRXNPFEDSA-N 0 3 297.402 2.344 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)C(C)(C)CC)C2 ZINC001054187568 812548588 /nfs/dbraw/zinc/54/85/88/812548588.db2.gz VBZORNFINHBTNW-KRWDZBQOSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C)C(C)C)C2 ZINC001054207280 812549163 /nfs/dbraw/zinc/54/91/63/812549163.db2.gz VKFLTEWGAXRBMK-WBVHZDCISA-N 0 3 276.424 2.226 20 30 CEEDHN C=CCCN1Cc2ccc(CNC(=O)c3ncc[nH]3)cc2C1 ZINC001054263342 812556794 /nfs/dbraw/zinc/55/67/94/812556794.db2.gz MKBOLDSHNMINCN-UHFFFAOYSA-N 0 3 296.374 2.231 20 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/nfs/dbraw/zinc/84/50/81/812845081.db2.gz FPLZKIKBKYYQIX-UHFFFAOYSA-N 0 3 297.402 2.063 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)c3cc[nH]c3CCC)C2)CC1 ZINC001050628833 812845597 /nfs/dbraw/zinc/84/55/97/812845597.db2.gz BYVZBZOBGOOXQT-UHFFFAOYSA-N 0 3 299.418 2.138 20 30 CEEDHN C=C[C@H](CC)CC(=O)NCCNCc1cnc(C)s1 ZINC001132659868 812920677 /nfs/dbraw/zinc/92/06/77/812920677.db2.gz FLNPUSKAGCRMBH-GFCCVEGCSA-N 0 3 281.425 2.260 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@H](NC(=O)C3CC3)CC2)c1 ZINC001052133245 812929758 /nfs/dbraw/zinc/92/97/58/812929758.db2.gz OJDJJUIYEPYLJM-KRWDZBQOSA-N 0 3 297.402 2.439 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)[C@@H](C)n2cccc2)CC1 ZINC001052315603 812970341 /nfs/dbraw/zinc/97/03/41/812970341.db2.gz RKXHCQRZXMISPC-CVEARBPZSA-N 0 3 287.407 2.043 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)c2ccc(C)c(C)n2)CC1 ZINC001052563320 813006938 /nfs/dbraw/zinc/00/69/38/813006938.db2.gz OKVXGUKEACTCFC-MRXNPFEDSA-N 0 3 299.418 2.306 20 30 CEEDHN C[C@H](C#N)OCCN(C)CCOCc1ccccc1 ZINC000384315741 813118359 /nfs/dbraw/zinc/11/83/59/813118359.db2.gz UZYMYVLMHKPWBA-CQSZACIVSA-N 0 3 262.353 2.064 20 30 CEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C(C)(C)F)C[C@@H](C)O2 ZINC001071127306 813323209 /nfs/dbraw/zinc/32/32/09/813323209.db2.gz LQXKUTGSILMTAW-CJNGLKHVSA-N 0 3 298.402 2.002 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(CC)n[nH]2)CC[C@@H]1C ZINC001071352279 813374512 /nfs/dbraw/zinc/37/45/12/813374512.db2.gz OZVKSAIKZQDTLG-JSGCOSHPSA-N 0 3 290.411 2.131 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)c2ocnc2C)CC[C@H]1C ZINC001071413100 813397179 /nfs/dbraw/zinc/39/71/79/813397179.db2.gz BGTPASZWKKUVMI-YPMHNXCESA-N 0 3 277.368 2.142 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccnn2CC)CC[C@H]1C ZINC001071457292 813411783 /nfs/dbraw/zinc/41/17/83/813411783.db2.gz HSWIELLBMYKYJX-KGLIPLIRSA-N 0 3 290.411 2.062 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccnn2CC)CC[C@H]1C ZINC001071457294 813412121 /nfs/dbraw/zinc/41/21/21/813412121.db2.gz HSWIELLBMYKYJX-ZIAGYGMSSA-N 0 3 290.411 2.062 20 30 CEEDHN CC#CCNCCNC(=O)[C@@]1(C)CCCc2ccccc21 ZINC001135360552 813415796 /nfs/dbraw/zinc/41/57/96/813415796.db2.gz UJEZPYFHMHQHIU-SFHVURJKSA-N 0 3 284.403 2.010 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc[nH]c2)CC[C@H]1C ZINC001071526857 813431071 /nfs/dbraw/zinc/43/10/71/813431071.db2.gz VHWKPWUHZBSLFK-OCCSQVGLSA-N 0 3 261.369 2.174 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C2C=CC=CC=C2)CC[C@@H]1C ZINC001071540033 813434052 /nfs/dbraw/zinc/43/40/52/813434052.db2.gz REXWAINJSVXDOW-RDJZCZTQSA-N 0 3 284.403 2.277 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cocc2C)CC[C@H]1C ZINC001071744446 813474567 /nfs/dbraw/zinc/47/45/67/813474567.db2.gz KSOSUCHFLRHFNN-ZIAGYGMSSA-N 0 3 274.364 2.194 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)c2conc2C)CC[C@H]1C ZINC001071793358 813484192 /nfs/dbraw/zinc/48/41/92/813484192.db2.gz ZDZZAXGUHIQWTK-YPMHNXCESA-N 0 3 277.368 2.142 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)Cc2occc2C)CC[C@@H]1C ZINC001071812048 813487712 /nfs/dbraw/zinc/48/77/12/813487712.db2.gz RLZCCSXCWBIFAJ-GJZGRUSLSA-N 0 3 288.391 2.123 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2ccco2)CC[C@H]1C ZINC001071916440 813512495 /nfs/dbraw/zinc/51/24/95/813512495.db2.gz MADHBEYBYKJBPX-KGLIPLIRSA-N 0 3 276.380 2.367 20 30 CEEDHN CC[C@@H](C)[C@H](C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001135863944 813550100 /nfs/dbraw/zinc/55/01/00/813550100.db2.gz POXXIPCHMCGAHN-KGLIPLIRSA-N 0 3 287.407 2.446 20 30 CEEDHN C#CCOc1ccccc1CN[C@H]1COC(C)(C)C1 ZINC000396676545 813580530 /nfs/dbraw/zinc/58/05/30/813580530.db2.gz UVXCBDIZWUWZDC-CQSZACIVSA-N 0 3 259.349 2.356 20 30 CEEDHN CC(C)[C@@]1(C)C[C@H]1C(=O)NCCNCc1cccc(C#N)c1 ZINC001136090176 813612196 /nfs/dbraw/zinc/61/21/96/813612196.db2.gz STUVFPXWWZLCHR-FUHWJXTLSA-N 0 3 299.418 2.446 20 30 CEEDHN CC[C@@]1(C)C[C@@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001136089688 813612460 /nfs/dbraw/zinc/61/24/60/813612460.db2.gz MADBWUILSVTKKE-HIFRSBDPSA-N 0 3 291.420 2.262 20 30 CEEDHN CC(C)[C@@]1(C)C[C@H]1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001136094113 813613981 /nfs/dbraw/zinc/61/39/81/813613981.db2.gz HCVHPDFHOBQLLT-FUHWJXTLSA-N 0 3 299.418 2.446 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3cscc3C)C2)C1 ZINC001072595229 813619619 /nfs/dbraw/zinc/61/96/19/813619619.db2.gz ILIPJTSKBCPKTN-UHFFFAOYSA-N 0 3 276.405 2.390 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C3=CCCCCC3)C2)C1 ZINC001072657984 813631709 /nfs/dbraw/zinc/63/17/09/813631709.db2.gz JABLKTLOBGWNOJ-UHFFFAOYSA-N 0 3 286.419 2.435 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3cccc(F)c3C)C2)C1 ZINC001072763151 813651450 /nfs/dbraw/zinc/65/14/50/813651450.db2.gz ONZNMNAHKKIVDB-UHFFFAOYSA-N 0 3 288.366 2.468 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C3C=CC=CC=C3)C2)C1 ZINC001072785737 813656737 /nfs/dbraw/zinc/65/67/37/813656737.db2.gz ALMQNVWWHRGJHV-UHFFFAOYSA-N 0 3 270.376 2.005 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3cc(F)ccc3F)C2)C1 ZINC001072817004 813665013 /nfs/dbraw/zinc/66/50/13/813665013.db2.gz LRXRQXAGVZUOIO-UHFFFAOYSA-N 0 3 292.329 2.299 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@]34C[C@H]3CCCC4)C2)C1 ZINC001072964125 813701432 /nfs/dbraw/zinc/70/14/32/813701432.db2.gz KMIYMTIKGDUCHS-RHSMWYFYSA-N 0 3 274.408 2.287 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3scnc3Cl)C2)C1 ZINC001073433745 813751302 /nfs/dbraw/zinc/75/13/02/813751302.db2.gz LQXXGBIWCDNNOL-UHFFFAOYSA-N 0 3 297.811 2.130 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@@H](C)C3CC3)C2)C1 ZINC001073464021 813754764 /nfs/dbraw/zinc/75/47/64/813754764.db2.gz WNVAQOZRVFGICG-CYBMUJFWSA-N 0 3 262.397 2.143 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ncoc2CC)C1 ZINC001090963998 813944607 /nfs/dbraw/zinc/94/46/07/813944607.db2.gz RCUSTZAYMHMHIL-UHFFFAOYSA-N 0 3 297.786 2.088 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001099038020 813980798 /nfs/dbraw/zinc/98/07/98/813980798.db2.gz WNLCLISMCBTXPI-CTASWTNQSA-N 0 3 262.397 2.189 20 30 CEEDHN CCn1cnc(CN[C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171201000 814124643 /nfs/dbraw/zinc/12/46/43/814124643.db2.gz GFMPVSQLNVRBAA-ZDUSSCGKSA-N 0 3 268.364 2.495 20 30 CEEDHN Cn1nnc2cc(CN3CCC[C@@H](C#N)CC3)ccc21 ZINC001144641161 814133588 /nfs/dbraw/zinc/13/35/88/814133588.db2.gz KOSRAABQQBEFBC-GFCCVEGCSA-N 0 3 269.352 2.094 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)CCCC#CC)C1 ZINC001100590230 814155010 /nfs/dbraw/zinc/15/50/10/814155010.db2.gz PMFZHHOFICFLMP-UHFFFAOYSA-N 0 3 282.815 2.417 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC001171223767 814189050 /nfs/dbraw/zinc/18/90/50/814189050.db2.gz NUUHGNUSGIIDOE-CXAGYDPISA-N 0 3 299.374 2.064 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)N1CC(C)(N(C)C)C1 ZINC001171225193 814190694 /nfs/dbraw/zinc/19/06/94/814190694.db2.gz YOVYEXMZDCTAFN-ZDUSSCGKSA-N 0 3 257.381 2.125 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cc(CC)on2)C1 ZINC001091332109 814213884 /nfs/dbraw/zinc/21/38/84/814213884.db2.gz VEXZIHBVUAJHBY-UHFFFAOYSA-N 0 3 297.786 2.088 20 30 CEEDHN CCC(=O)N1C[C@H]2CN(Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001091409515 814229608 /nfs/dbraw/zinc/22/96/08/814229608.db2.gz ZSYCTIWIGUWARM-AEFFLSMTSA-N 0 3 297.402 2.249 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)/C=C/c3ccco3)C[C@]2(C)C1 ZINC001091440531 814241915 /nfs/dbraw/zinc/24/19/15/814241915.db2.gz NRVYQTPKNGAXGG-ZIEDNJRCSA-N 0 3 298.386 2.096 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3occc3C)C[C@]2(C)C1 ZINC001091484771 814251766 /nfs/dbraw/zinc/25/17/66/814251766.db2.gz CYNKAXNBZPZPJH-PBHICJAKSA-N 0 3 286.375 2.005 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CN(CCF)C[C@H]1C ZINC001102261046 814373716 /nfs/dbraw/zinc/37/37/16/814373716.db2.gz MGSVODBCFCDXJB-MGPQQGTHSA-N 0 3 270.392 2.242 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H](C)CCC)C2)C1 ZINC001147218464 814408476 /nfs/dbraw/zinc/40/84/76/814408476.db2.gz LMCXXIKHBDKULG-HNNXBMFYSA-N 0 3 276.424 2.370 20 30 CEEDHN CCCCCC[C@H](C)CC(=O)NCCNCC#CCOC ZINC001147401378 814439597 /nfs/dbraw/zinc/43/95/97/814439597.db2.gz BNNKFOXXPFUQAL-INIZCTEOSA-N 0 3 296.455 2.339 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@H](C)CC)C2)C1 ZINC001147449737 814450138 /nfs/dbraw/zinc/45/01/38/814450138.db2.gz AGTSASXWFXBNIE-CYBMUJFWSA-N 0 3 250.386 2.143 20 30 CEEDHN C=C1CC(C)(C(=O)NCC[C@@H]2CN(CCF)C[C@H]2C)C1 ZINC001103418353 814502027 /nfs/dbraw/zinc/50/20/27/814502027.db2.gz CXXHEZNDKUHWJP-ZIAGYGMSSA-N 0 3 282.403 2.386 20 30 CEEDHN C=C/C(C)=C\CC(=O)N1CC2(C1)CCN(CC#CC)C2 ZINC001148053951 814521193 /nfs/dbraw/zinc/52/11/93/814521193.db2.gz WLFLCAWSNHJSPE-CHHVJCJISA-N 0 3 272.392 2.066 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@H](C=C)CC)C2)C1 ZINC001148131530 814531113 /nfs/dbraw/zinc/53/11/13/814531113.db2.gz URVCLXNGEJQODT-CQSZACIVSA-N 0 3 262.397 2.309 20 30 CEEDHN C=CCOc1ccc(C(=O)N[C@@]2(C)CCCN(C)C2)cc1 ZINC001148470437 814566425 /nfs/dbraw/zinc/56/64/25/814566425.db2.gz PXRQXHBLLJMXMA-KRWDZBQOSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CCC)OCC)C1 ZINC001111847157 814620009 /nfs/dbraw/zinc/62/00/09/814620009.db2.gz KQHDRXVRXWAMEM-ZOBUZTSGSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)/C=C\C3CC3)C2)CC1 ZINC001086910962 814648686 /nfs/dbraw/zinc/64/86/86/814648686.db2.gz GACOCFGDKIWVIN-IDTUSYRASA-N 0 3 286.419 2.289 20 30 CEEDHN CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3C[C@@H]3C)C2)CC1 ZINC001086937508 814653361 /nfs/dbraw/zinc/65/33/61/814653361.db2.gz QZIVXODSBVCWEG-JYJNAYRXSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CC(C)C ZINC001115096154 814680634 /nfs/dbraw/zinc/68/06/34/814680634.db2.gz OCOBQABCWCFMEH-WDNDVIMCSA-N 0 3 264.413 2.291 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C(C)(C)C3CC3)C[C@]2(C)C1 ZINC001091940442 814682377 /nfs/dbraw/zinc/68/23/77/814682377.db2.gz LFTLYHJHGPFOGQ-QAPCUYQASA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2occc2C(C)C)[C@H](C)C1 ZINC001092911582 814733039 /nfs/dbraw/zinc/73/30/39/814733039.db2.gz UUWRJKXESODDMK-ZIAGYGMSSA-N 0 3 288.391 2.334 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000712622844 814757739 /nfs/dbraw/zinc/75/77/39/814757739.db2.gz QLDFNUZINFATMN-UHFFFAOYSA-N 0 3 265.401 2.259 20 30 CEEDHN C#CCN(CC1CC1)C(=O)NC1CCN(CC(=C)C)CC1 ZINC001116367468 814848085 /nfs/dbraw/zinc/84/80/85/814848085.db2.gz FSEDOXGLHQQKBL-UHFFFAOYSA-N 0 3 289.423 2.082 20 30 CEEDHN CC/C=C(/C)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001124343931 815611775 /nfs/dbraw/zinc/61/17/75/815611775.db2.gz GGMJUNFCUQSBQC-QCDXTXTGSA-N 0 3 289.354 2.259 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)C1CC1)C2 ZINC001110168536 815622349 /nfs/dbraw/zinc/62/23/49/815622349.db2.gz UIBNXXPFGGHEPF-UKMLZYKCSA-N 0 3 274.408 2.167 20 30 CEEDHN CC1(C#N)CCC(NC(=N)c2ccc(F)cn2)CC1 ZINC001173586722 815753798 /nfs/dbraw/zinc/75/37/98/815753798.db2.gz YFTBUKHBILQOGW-UHFFFAOYSA-N 0 3 260.316 2.398 20 30 CEEDHN CC1(C#N)CCC(N2C[C@H](CO)C[C@H](F)C2)CC1 ZINC001173592630 815755611 /nfs/dbraw/zinc/75/56/11/815755611.db2.gz WVXDNUOAHMMLTE-KBHBFKLGSA-N 0 3 254.349 2.111 20 30 CEEDHN CC1(C#N)CCC(NCc2cc3n(n2)CCCO3)CC1 ZINC001173592092 815755691 /nfs/dbraw/zinc/75/56/91/815755691.db2.gz FPBKDIOWODHESM-UHFFFAOYSA-N 0 3 274.368 2.228 20 30 CEEDHN CCOC(=O)C[C@@H]1CC[C@@H](NC(=N)c2ccc(F)cn2)C1 ZINC001173622263 815765635 /nfs/dbraw/zinc/76/56/35/815765635.db2.gz ALJNIFDVROWRJY-ZYHUDNBSSA-N 0 3 293.342 2.048 20 30 CEEDHN C#Cc1nccnc1Nc1ccccc1CN(C)C ZINC001173928749 815861884 /nfs/dbraw/zinc/86/18/84/815861884.db2.gz CYKDSRRRQXELQP-UHFFFAOYSA-N 0 3 252.321 2.263 20 30 CEEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ocnc1C)C2 ZINC001095271325 815870587 /nfs/dbraw/zinc/87/05/87/815870587.db2.gz GNVXBENYVZQGHP-RDBSUJKOSA-N 0 3 289.379 2.284 20 30 CEEDHN CCCn1cc(CN2CCC3SC(=O)C=C3C2)cn1 ZINC001139039752 815948615 /nfs/dbraw/zinc/94/86/15/815948615.db2.gz WXUATYHQCRJYPL-ZDUSSCGKSA-N 0 3 277.393 2.067 20 30 CEEDHN Cc1cnccc1Nc1c(C#N)cnn1-c1ccccn1 ZINC001174537024 816022543 /nfs/dbraw/zinc/02/25/43/816022543.db2.gz RWFRUPYVPBDBCO-UHFFFAOYSA-N 0 3 276.303 2.008 20 30 CEEDHN COC(=O)CC[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC001139529381 816039773 /nfs/dbraw/zinc/03/97/73/816039773.db2.gz PQERRURTCNOHPR-GFCCVEGCSA-N 0 3 290.338 2.472 20 30 CEEDHN COC(=O)C[C@H]1CCN(Cc2ccc(C)c(C#N)c2)C1 ZINC001139727572 816097483 /nfs/dbraw/zinc/09/74/83/816097483.db2.gz VMUKPXUTUKPBTG-CQSZACIVSA-N 0 3 272.348 2.252 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)C(C#N)(CC)CC ZINC001139869637 816131030 /nfs/dbraw/zinc/13/10/30/816131030.db2.gz ODOZLTQTLBHBFC-UHFFFAOYSA-N 0 3 265.401 2.283 20 30 CEEDHN C=CCN1CC[C@@]2(CCCN(Cc3ccc(C)nc3)C2)C1=O ZINC001139931286 816144212 /nfs/dbraw/zinc/14/42/12/816144212.db2.gz PFCVSWRNPFOOLY-GOSISDBHSA-N 0 3 299.418 2.391 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1c(C)noc1CC ZINC001175774989 816282117 /nfs/dbraw/zinc/28/21/17/816282117.db2.gz CUMLFRJRFSUOSX-UHFFFAOYSA-N 0 3 285.775 2.007 20 30 CEEDHN C=CC[NH2+]CCCCCCNC(=O)c1ccccc1[O-] ZINC001177906595 816641329 /nfs/dbraw/zinc/64/13/29/816641329.db2.gz AAUIWUYHQHJQDG-UHFFFAOYSA-N 0 3 276.380 2.458 20 30 CEEDHN C#C[C@@H](CCC)NC[C@H](O)c1c(F)cccc1F ZINC000229978365 816670685 /nfs/dbraw/zinc/67/06/85/816670685.db2.gz MAZLFDCWSQSGRH-GWCFXTLKSA-N 0 3 253.292 2.390 20 30 CEEDHN C=CCC[NH2+][C@H]1CCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001178135141 816692464 /nfs/dbraw/zinc/69/24/64/816692464.db2.gz UDEGUYCEBZILCZ-JSGCOSHPSA-N 0 3 274.364 2.161 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C[C@H](C)CC)C1 ZINC001149633058 816883199 /nfs/dbraw/zinc/88/31/99/816883199.db2.gz ZFXVRJLUIVUXFC-HUUCEWRRSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCC[C@@H](O)CN(C)CCOc1ccccc1F ZINC000121397074 365563154 /nfs/dbraw/zinc/56/31/54/365563154.db2.gz BESDXUZJKZNDCP-CYBMUJFWSA-N 0 3 267.344 2.463 20 30 CEEDHN C=CCN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000121449006 365570105 /nfs/dbraw/zinc/57/01/05/365570105.db2.gz VXGSXTMVQAYDAB-UHFFFAOYSA-N 0 3 263.297 2.041 20 30 CEEDHN C=CCN(C)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000121505459 365577381 /nfs/dbraw/zinc/57/73/81/365577381.db2.gz HBKUHHBLPHBVLS-LBPRGKRZSA-N 0 3 260.337 2.025 20 30 CEEDHN C=CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000124733489 187151155 /nfs/dbraw/zinc/15/11/55/187151155.db2.gz PIPQYIFXHTWBMP-OAHLLOKOSA-N 0 3 287.407 2.478 20 30 CEEDHN C#CCN(CCC1OCCO1)[C@H]1CCc2ccccc21 ZINC000123917368 365642914 /nfs/dbraw/zinc/64/29/14/365642914.db2.gz IQYPIJQTUYKYQE-INIZCTEOSA-N 0 3 271.360 2.372 20 30 CEEDHN C=C1CC(C)(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)C1 ZINC000601437051 346838164 /nfs/dbraw/zinc/83/81/64/346838164.db2.gz NELWEWASEYIQFZ-UONOGXRCSA-N 0 3 294.464 2.381 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCc1cccc2[nH]ccc21 ZINC000601550069 346849224 /nfs/dbraw/zinc/84/92/24/346849224.db2.gz KYTFABPUHBNQKD-AWEZNQCLSA-N 0 3 284.363 2.195 20 30 CEEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2ccco2)cc1 ZINC000567694668 299077403 /nfs/dbraw/zinc/07/74/03/299077403.db2.gz ZWUOPPPEXSXHIN-NUEKZKHPSA-N 0 3 298.342 2.037 20 30 CEEDHN CCCN(CCN(C)C)C(=O)c1cccc(C#N)c1C ZINC000337951645 214328446 /nfs/dbraw/zinc/32/84/46/214328446.db2.gz PTFMFGDOKQCCCK-UHFFFAOYSA-N 0 3 273.380 2.281 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000337951560 214328591 /nfs/dbraw/zinc/32/85/91/214328591.db2.gz SDXDMUIOAMFVLA-CQSZACIVSA-N 0 3 271.364 2.033 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000337968487 214335197 /nfs/dbraw/zinc/33/51/97/214335197.db2.gz FKAQFPXNMXHRFT-MLGOLLRUSA-N 0 3 285.391 2.325 20 30 CEEDHN N#CC1(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC2(CC2)C1 ZINC000601662884 346872295 /nfs/dbraw/zinc/87/22/95/346872295.db2.gz TXWVLTKISOGYHM-ZIAGYGMSSA-N 0 3 287.407 2.203 20 30 CEEDHN N#CCc1ccccc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000601662954 346872498 /nfs/dbraw/zinc/87/24/98/346872498.db2.gz WDJFAZGDMSXGNB-IRXDYDNUSA-N 0 3 297.402 2.499 20 30 CEEDHN Cc1[nH]nc(NC(=O)C[C@@H](c2ccccc2)N(C)C)c1C#N ZINC000601678882 346876880 /nfs/dbraw/zinc/87/68/80/346876880.db2.gz GYBWZEUDDXTFQH-AWEZNQCLSA-N 0 3 297.362 2.221 20 30 CEEDHN C#CCCCN[C@H](CO)c1cccc(Br)c1 ZINC000273144666 192055592 /nfs/dbraw/zinc/05/55/92/192055592.db2.gz VJSIJXNDDDZFCL-CYBMUJFWSA-N 0 3 282.181 2.486 20 30 CEEDHN C=CC[C@@H]1CCCN(Cc2cnn(CCOC)c2)C1 ZINC000668494049 539183973 /nfs/dbraw/zinc/18/39/73/539183973.db2.gz UTRAHZUMZSMDEG-CQSZACIVSA-N 0 3 263.385 2.318 20 30 CEEDHN C=CCOc1cccc(CN(C)C[C@H]2COCCO2)c1 ZINC000668541127 539194362 /nfs/dbraw/zinc/19/43/62/539194362.db2.gz DIJNKEHXNMKEDK-INIZCTEOSA-N 0 3 277.364 2.099 20 30 CEEDHN C[C@H](NCC(=O)Nc1nc2c(s1)CCC2)[C@H]1CCCO1 ZINC000329680040 539246670 /nfs/dbraw/zinc/24/66/70/539246670.db2.gz REIIIIPXVCIYDH-GXSJLCMTSA-N 0 3 295.408 2.377 20 30 CEEDHN CCN(CC)CC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000042122851 362060264 /nfs/dbraw/zinc/06/02/64/362060264.db2.gz LCOGBGVDOPAUKL-LBPRGKRZSA-N 0 3 259.353 2.077 20 30 CEEDHN CCO[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000042422307 362093173 /nfs/dbraw/zinc/09/31/73/362093173.db2.gz CQUFURCBSZDHBW-INIZCTEOSA-N 0 3 274.364 2.438 20 30 CEEDHN Cc1ccc(NC(=O)CCN2CCC(CC#N)CC2)nc1 ZINC000573432741 334937229 /nfs/dbraw/zinc/93/72/29/334937229.db2.gz KMUXYDYEPUIUHM-UHFFFAOYSA-N 0 3 286.379 2.344 20 30 CEEDHN C=C(C)CN1CCC(C(=O)Nc2ccccn2)CC1 ZINC000047257642 362203231 /nfs/dbraw/zinc/20/32/31/362203231.db2.gz RGFSTPWVJPIXHO-UHFFFAOYSA-N 0 3 259.353 2.308 20 30 CEEDHN N#Cc1cccc(NC(=O)N2CC[C@H](N3CCCCC3)C2)n1 ZINC000567828197 299096021 /nfs/dbraw/zinc/09/60/21/299096021.db2.gz DGTNIQYCRYWHDG-AWEZNQCLSA-N 0 3 299.378 2.045 20 30 CEEDHN Cc1cc(C)c(C#N)c(N[C@H]2CCN(C3CC3)C2)n1 ZINC000044679013 343476040 /nfs/dbraw/zinc/47/60/40/343476040.db2.gz OGESHPOBIKRDMV-LBPRGKRZSA-N 0 3 256.353 2.219 20 30 CEEDHN CC(C)OCCN1CCCN(c2ccc(C#N)cc2)CC1 ZINC000046085889 343492329 /nfs/dbraw/zinc/49/23/29/343492329.db2.gz NTVQEGJBXPMDSQ-UHFFFAOYSA-N 0 3 287.407 2.495 20 30 CEEDHN C=CCOCCNCc1c[nH]c(-c2ccccc2)n1 ZINC000679486678 539321145 /nfs/dbraw/zinc/32/11/45/539321145.db2.gz RBBFZGZURYFEEZ-UHFFFAOYSA-N 0 3 257.337 2.369 20 30 CEEDHN C=CCOCCNCc1cnc(-c2ccccc2)[nH]1 ZINC000679486678 539321147 /nfs/dbraw/zinc/32/11/47/539321147.db2.gz RBBFZGZURYFEEZ-UHFFFAOYSA-N 0 3 257.337 2.369 20 30 CEEDHN C#CCN1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000050025307 343541257 /nfs/dbraw/zinc/54/12/57/343541257.db2.gz OBIHMLNAQAECKM-UHFFFAOYSA-N 0 3 290.794 2.301 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)CCc1ccc(C#N)cc1 ZINC000046857581 343504923 /nfs/dbraw/zinc/50/49/23/343504923.db2.gz RTEUOQWFENTTKW-HNNXBMFYSA-N 0 3 299.418 2.481 20 30 CEEDHN CC[C@H](NCc1cccc(C#N)c1)[C@@H](O)C(F)F ZINC000295025673 199306362 /nfs/dbraw/zinc/30/63/62/199306362.db2.gz LBSHCPFSUPYDQX-NWDGAFQWSA-N 0 3 254.280 2.052 20 30 CEEDHN C=CCN1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000063627602 343680464 /nfs/dbraw/zinc/68/04/64/343680464.db2.gz KCEBMBFTICXHFL-GFCCVEGCSA-N 0 3 254.374 2.409 20 30 CEEDHN C[C@@H](N[C@H]1CCCS(=O)(=O)CC1)c1ccc(C#N)cc1 ZINC000601995542 346952821 /nfs/dbraw/zinc/95/28/21/346952821.db2.gz DPKIHQRVZCOETK-DOMZBBRYSA-N 0 3 292.404 2.176 20 30 CEEDHN CCN(CCNCc1cccc(F)c1C#N)C1CC1 ZINC000602003269 346955309 /nfs/dbraw/zinc/95/53/09/346955309.db2.gz SNWWCIRPCWVJNJ-UHFFFAOYSA-N 0 3 261.344 2.271 20 30 CEEDHN C[C@H](N[C@H]1CCCS(=O)(=O)CC1)c1cccc(C#N)c1 ZINC000602012242 346958620 /nfs/dbraw/zinc/95/86/20/346958620.db2.gz KWTUKFMPYZJQGG-WFASDCNBSA-N 0 3 292.404 2.176 20 30 CEEDHN N#CCCCN1CCC(NC(=O)CC2CCCC2)CC1 ZINC000066875135 343723982 /nfs/dbraw/zinc/72/39/82/343723982.db2.gz HTSIGJDXKWTCTA-UHFFFAOYSA-N 0 3 277.412 2.451 20 30 CEEDHN CC(C)N1CCCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000068782648 343773112 /nfs/dbraw/zinc/77/31/12/343773112.db2.gz HEHMXHCKSICHKM-UHFFFAOYSA-N 0 3 263.385 2.013 20 30 CEEDHN CCCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000071063516 343799459 /nfs/dbraw/zinc/79/94/59/343799459.db2.gz SHPPZTJDAOFNPL-UHFFFAOYSA-N 0 3 257.381 2.476 20 30 CEEDHN CN(CC(=O)N1CCC(C)(C#N)CC1)CC(C)(C)C ZINC000602144698 346982342 /nfs/dbraw/zinc/98/23/42/346982342.db2.gz OLMQWQZGYOBPLP-UHFFFAOYSA-N 0 3 265.401 2.117 20 30 CEEDHN N#Cc1nnc2ccccc2c1N[C@@H]1CCN(CC2CC2)C1 ZINC000077218987 343911826 /nfs/dbraw/zinc/91/18/26/343911826.db2.gz STGTVFZNGCGBKM-CYBMUJFWSA-N 0 3 293.374 2.398 20 30 CEEDHN COCCCN1CCCN(c2ccc(F)cc2C#N)CC1 ZINC000078302322 343946189 /nfs/dbraw/zinc/94/61/89/343946189.db2.gz IOBVXJVOXYGPQX-UHFFFAOYSA-N 0 3 291.370 2.246 20 30 CEEDHN CN(C)Cc1ccc(NC(=O)c2cc(C#N)cn2C)cc1 ZINC000081603928 344059761 /nfs/dbraw/zinc/05/97/61/344059761.db2.gz ZVLKDVITQWAEPB-UHFFFAOYSA-N 0 3 282.347 2.211 20 30 CEEDHN C=CCCC[C@H](C)N1CCN(Cc2nccn2C)CC1 ZINC000091511028 344166527 /nfs/dbraw/zinc/16/65/27/344166527.db2.gz IYDUEAMOPDTUQM-HNNXBMFYSA-N 0 3 276.428 2.283 20 30 CEEDHN COCCCN(C)CCNc1snc(Cl)c1C#N ZINC000092657394 344198712 /nfs/dbraw/zinc/19/87/12/344198712.db2.gz VICKQEBIONICOR-UHFFFAOYSA-N 0 3 288.804 2.048 20 30 CEEDHN CO[C@@H](CN(C)Cc1cccc(C#N)c1)C1CCOCC1 ZINC000602440216 347033963 /nfs/dbraw/zinc/03/39/63/347033963.db2.gz KCXLPGGBFHLFEM-KRWDZBQOSA-N 0 3 288.391 2.432 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000107112246 344260198 /nfs/dbraw/zinc/26/01/98/344260198.db2.gz UHZZJUMAQAYJIF-INIZCTEOSA-N 0 3 278.371 2.275 20 30 CEEDHN C[C@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000130445330 344352915 /nfs/dbraw/zinc/35/29/15/344352915.db2.gz OHTUXMMDZPDZIB-GWCFXTLKSA-N 0 3 250.367 2.355 20 30 CEEDHN N#Cc1cccnc1N1CCN(C2CCCCC2)CC1 ZINC000049861771 362381390 /nfs/dbraw/zinc/38/13/90/362381390.db2.gz BFXOGADUGAHZOK-UHFFFAOYSA-N 0 3 270.380 2.408 20 30 CEEDHN CN(CCOC[C@@H]1CCCO1)Cc1ccc(C#N)cc1 ZINC000152149217 344424046 /nfs/dbraw/zinc/42/40/46/344424046.db2.gz HCEQTHZZPMELEF-INIZCTEOSA-N 0 3 274.364 2.186 20 30 CEEDHN C=C(Cl)CNC(=O)c1ccc(CN(C)C)cc1 ZINC000134821368 344377585 /nfs/dbraw/zinc/37/75/85/344377585.db2.gz BYMHGSALKRRNRQ-UHFFFAOYSA-N 0 3 252.745 2.231 20 30 CEEDHN C=CCCCN(C)C(=O)[C@@H]1CNCc2ccccc21 ZINC000135975365 344383703 /nfs/dbraw/zinc/38/37/03/344383703.db2.gz MGHQSLCQPKIWCG-OAHLLOKOSA-N 0 3 258.365 2.298 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000050024869 362390184 /nfs/dbraw/zinc/39/01/84/362390184.db2.gz VFQILNIJWSJTHJ-CQSZACIVSA-N 0 3 270.376 2.209 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160661346 344460532 /nfs/dbraw/zinc/46/05/32/344460532.db2.gz BOKCCNNJLDKCGK-CQSZACIVSA-N 0 3 265.401 2.078 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(CC#N)c2)CCN1C ZINC000172621670 344496404 /nfs/dbraw/zinc/49/64/04/344496404.db2.gz WHTCJBLUTCHSJB-CJNGLKHVSA-N 0 3 285.391 2.307 20 30 CEEDHN C=CCOc1ccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1 ZINC000237484238 344601417 /nfs/dbraw/zinc/60/14/17/344601417.db2.gz OVWZUXSLZLIAFE-OLZOCXBDSA-N 0 3 274.364 2.074 20 30 CEEDHN Cc1nc(CCNCc2cccc(C#N)n2)cs1 ZINC000602511793 347062617 /nfs/dbraw/zinc/06/26/17/347062617.db2.gz REXAXJCPIRFFLX-UHFFFAOYSA-N 0 3 258.350 2.051 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000320338501 344752262 /nfs/dbraw/zinc/75/22/62/344752262.db2.gz APEGWOPAQLGKHU-WFASDCNBSA-N 0 3 291.391 2.435 20 30 CEEDHN N#Cc1ccc(OCCN2CCC[C@@H](CO)CC2)cc1 ZINC000292986708 344690120 /nfs/dbraw/zinc/69/01/20/344690120.db2.gz BVDZNKPTQHPKMP-OAHLLOKOSA-N 0 3 274.364 2.031 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000339720586 344768393 /nfs/dbraw/zinc/76/83/93/344768393.db2.gz SAGASPHJZCVMPV-KGLIPLIRSA-N 0 3 277.412 2.259 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCCC[C@@H]1C(F)F ZINC000602559395 347076959 /nfs/dbraw/zinc/07/69/59/347076959.db2.gz HXPSLLJMLMMGJV-WDEREUQCSA-N 0 3 273.327 2.044 20 30 CEEDHN Cc1cc(C)c(NC(=O)CN(C)C(=O)C(C)C#N)c(C)c1 ZINC000357824674 344807083 /nfs/dbraw/zinc/80/70/83/344807083.db2.gz KZOFSVCQEPUYFE-CYBMUJFWSA-N 0 3 287.363 2.168 20 30 CEEDHN CC[C@H](C#N)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000390800972 344837794 /nfs/dbraw/zinc/83/77/94/344837794.db2.gz YVAMZLOAVTVOOR-DZGCQCFKSA-N 0 3 273.380 2.173 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCC1(C(F)(F)F)CCCC1 ZINC000602574182 347084198 /nfs/dbraw/zinc/08/41/98/347084198.db2.gz XZUBMMSMPORTLB-SNVBAGLBSA-N 0 3 291.317 2.246 20 30 CEEDHN C#CCN(C)CCCN[C@@H](C)c1ccncc1Cl ZINC000491413929 344911570 /nfs/dbraw/zinc/91/15/70/344911570.db2.gz AHLQCOAJWWERSC-LBPRGKRZSA-N 0 3 265.788 2.341 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000424063014 344896826 /nfs/dbraw/zinc/89/68/26/344896826.db2.gz WRAUZFSSYSUFOC-ZDUSSCGKSA-N 0 3 283.335 2.036 20 30 CEEDHN CN1CC[C@@H](NCc2cccc(C#N)n2)[C@@H]1c1ccccc1 ZINC000602576450 347085600 /nfs/dbraw/zinc/08/56/00/347085600.db2.gz CEPIAXSEZPUUSS-MSOLQXFVSA-N 0 3 292.386 2.488 20 30 CEEDHN C=CCNC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000505739713 344924268 /nfs/dbraw/zinc/92/42/68/344924268.db2.gz KIPPESQCOOKPSV-NWDGAFQWSA-N 0 3 265.357 2.194 20 30 CEEDHN C[C@H](CCc1cccn1C)NC[C@@H](C#N)CCC#N ZINC000581365244 344953386 /nfs/dbraw/zinc/95/33/86/344953386.db2.gz KKAYGZUEUBZPGP-ZIAGYGMSSA-N 0 3 258.369 2.379 20 30 CEEDHN CN1CC[C@@H](NCc2cccc(C#N)n2)[C@H]1c1ccccc1 ZINC000602576452 347085860 /nfs/dbraw/zinc/08/58/60/347085860.db2.gz CEPIAXSEZPUUSS-QZTJIDSGSA-N 0 3 292.386 2.488 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CC[C@H](C(=O)N2CCCC2)C1 ZINC000588212816 345043142 /nfs/dbraw/zinc/04/31/42/345043142.db2.gz SCGKJRHWYYOJER-KRWDZBQOSA-N 0 3 297.402 2.311 20 30 CEEDHN C[C@H](CNC(=O)CCCCCC#N)N1CCCC1 ZINC000588281697 345044673 /nfs/dbraw/zinc/04/46/73/345044673.db2.gz KDTJAMZBXPFYEJ-CYBMUJFWSA-N 0 3 251.374 2.061 20 30 CEEDHN CCNC(=O)C(C)(C)CNC1CC(C#N)(c2ccccc2)C1 ZINC000128781518 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345332593 /nfs/dbraw/zinc/33/25/93/345332593.db2.gz HZEAKFBRQHATTP-AWEZNQCLSA-N 0 3 282.384 2.486 20 30 CEEDHN C[C@@H]1CC2(CN1Cc1ccnc(C#N)c1)CCOCC2 ZINC000592183990 345334996 /nfs/dbraw/zinc/33/49/96/345334996.db2.gz NEQZNGPJFMCFPP-CYBMUJFWSA-N 0 3 271.364 2.344 20 30 CEEDHN CCCC(=O)NC1CCN([C@@H](C)CCC#N)CC1 ZINC000592998476 345420330 /nfs/dbraw/zinc/42/03/30/345420330.db2.gz AGXCGAWPDFDARQ-LBPRGKRZSA-N 0 3 251.374 2.059 20 30 CEEDHN C[C@@H](CCC#N)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000593022602 345425147 /nfs/dbraw/zinc/42/51/47/345425147.db2.gz ICCKMKGDLJXFQA-QWHCGFSZSA-N 0 3 273.384 2.485 20 30 CEEDHN COCCN1CCN(Cc2ccccc2C#N)C(C)(C)C1 ZINC000593100742 345439409 /nfs/dbraw/zinc/43/94/09/345439409.db2.gz RECXFFLGPPUMHO-UHFFFAOYSA-N 0 3 287.407 2.101 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000593518131 345502128 /nfs/dbraw/zinc/50/21/28/345502128.db2.gz USVNCZQHFNDIAE-NEPJUHHUSA-N 0 3 282.384 2.409 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C ZINC000593521834 345502986 /nfs/dbraw/zinc/50/29/86/345502986.db2.gz LNDSLRMJGIJNDP-MNOVXSKESA-N 0 3 268.357 2.019 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)N2Cc3cccc(C#N)c3C2)CCN1C ZINC000593358186 345470431 /nfs/dbraw/zinc/47/04/31/345470431.db2.gz HVPIUXGLIJZILA-WFASDCNBSA-N 0 3 298.390 2.066 20 30 CEEDHN CCC(C#N)C(=O)N(CCC(=O)OC)Cc1ccccc1 ZINC000593420997 345481581 /nfs/dbraw/zinc/48/15/81/345481581.db2.gz LMAFMUPXXPJNEA-CQSZACIVSA-N 0 3 288.347 2.128 20 30 CEEDHN CC[C@H](C#N)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000593427229 345483407 /nfs/dbraw/zinc/48/34/07/345483407.db2.gz RMIRYPQXAGNHOQ-CYBMUJFWSA-N 0 3 277.368 2.028 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)NCC1(C#N)CCCC1 ZINC000593433485 345485328 /nfs/dbraw/zinc/48/53/28/345485328.db2.gz ZFWDPBKXMCVIBX-UHFFFAOYSA-N 0 3 292.427 2.198 20 30 CEEDHN CCN1C[C@H](CN[C@@H](C)c2ccc(C#N)cc2F)CC1=O ZINC000593720252 345527054 /nfs/dbraw/zinc/52/70/54/345527054.db2.gz AHXLXDZBGOMSFN-AAEUAGOBSA-N 0 3 289.354 2.216 20 30 CEEDHN CC[C@@H](OCCNC(=O)C(C)C#N)c1ccccc1 ZINC000593787271 345538723 /nfs/dbraw/zinc/53/87/23/345538723.db2.gz QMMOARMPMAUPIM-GXTWGEPZSA-N 0 3 260.337 2.430 20 30 CEEDHN C#CCCN1CCN(CCCOc2ccccc2C)CC1 ZINC000127442322 187306822 /nfs/dbraw/zinc/30/68/22/187306822.db2.gz AUVUNNLBCTVIQV-UHFFFAOYSA-N 0 3 286.419 2.405 20 30 CEEDHN CCC(C#N)C(=O)NC1(CC(=O)OC(C)(C)C)CCC1 ZINC000593810389 345542290 /nfs/dbraw/zinc/54/22/90/345542290.db2.gz HWZAZUGUZPKDHE-LLVKDONJSA-N 0 3 280.368 2.307 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)NC1(CN(C)C)CCC1 ZINC000594017949 345568142 /nfs/dbraw/zinc/56/81/42/345568142.db2.gz XPEVGUIJUBPUGH-CQSZACIVSA-N 0 3 299.418 2.337 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)C[C@H]1CCCN1C ZINC000594051668 345574187 /nfs/dbraw/zinc/57/41/87/345574187.db2.gz UZVYWROZCWXONO-RHSMWYFYSA-N 0 3 299.418 2.289 20 30 CEEDHN CN(C)C1(CNC(=O)N2Cc3ccc(C#N)cc3C2)CCC1 ZINC000594245174 345604145 /nfs/dbraw/zinc/60/41/45/345604145.db2.gz LQEPSZPNYNMCJI-UHFFFAOYSA-N 0 3 298.390 2.068 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN(C)C1 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C[C@@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)[C@@H]1C ZINC000594436405 345629689 /nfs/dbraw/zinc/62/96/89/345629689.db2.gz IVWRWQGVMSZFLE-UPJWGTAASA-N 0 3 251.374 2.045 20 30 CEEDHN Cc1ccc2c(c1)N(C(=O)[C@H](N)CCCCC#N)CC2 ZINC000594436154 345629795 /nfs/dbraw/zinc/62/97/95/345629795.db2.gz IKQAYAWJSGAVIH-CQSZACIVSA-N 0 3 271.364 2.295 20 30 CEEDHN Cc1ccsc1CCNC(=O)[C@@H](N)CCCCC#N ZINC000594444068 345632002 /nfs/dbraw/zinc/63/20/02/345632002.db2.gz XGHYYUPETRMRKX-LBPRGKRZSA-N 0 3 279.409 2.127 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000594449306 345633922 /nfs/dbraw/zinc/63/39/22/345633922.db2.gz FXWLIEZIOXPZEA-OAGGEKHMSA-N 0 3 285.391 2.318 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1Cc2cc(F)c(F)cc2C1 ZINC000594452516 345635047 /nfs/dbraw/zinc/63/50/47/345635047.db2.gz NZSBEBOMFVOJNE-AWEZNQCLSA-N 0 3 293.317 2.218 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCC2(CC2(F)F)CC1 ZINC000594452211 345635117 /nfs/dbraw/zinc/63/51/17/345635117.db2.gz FECPLFSTDBUYGK-NSHDSACASA-N 0 3 285.338 2.045 20 30 CEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)C1CCC(F)(F)CC1 ZINC000594456014 345635440 /nfs/dbraw/zinc/63/54/40/345635440.db2.gz JVICRVXOOXVVDN-JQWIXIFHSA-N 0 3 287.354 2.338 20 30 CEEDHN COCC(COC)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594508718 345640306 /nfs/dbraw/zinc/64/03/06/345640306.db2.gz UXSGUPRJFPSLNQ-UHFFFAOYSA-N 0 3 276.380 2.239 20 30 CEEDHN CCC(C)(C)N1CCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000594591541 345653603 /nfs/dbraw/zinc/65/36/03/345653603.db2.gz OMSIDFUDHBOJJT-UHFFFAOYSA-N 0 3 287.411 2.276 20 30 CEEDHN Cc1ccc2c(c1)CN(C(=O)[C@@H](N)CCCCC#N)CC2 ZINC000595257768 345750155 /nfs/dbraw/zinc/75/01/55/345750155.db2.gz WMEKMAYTESGLFY-INIZCTEOSA-N 0 3 285.391 2.291 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NC1CCC2(CC2(F)F)CC1 ZINC000595258004 345750312 /nfs/dbraw/zinc/75/03/12/345750312.db2.gz HGZDKSRMJWBEAT-QWKFWESOSA-N 0 3 285.338 2.092 20 30 CEEDHN COC[C@H](CN(Cc1ccc(C#N)cc1)C1CC1)OC ZINC000595296888 345756661 /nfs/dbraw/zinc/75/66/61/345756661.db2.gz NNAUYYADIYWJIY-INIZCTEOSA-N 0 3 274.364 2.184 20 30 CEEDHN CO[C@H](CN1CCN(c2ccccc2C#N)CC1)C1CCC1 ZINC000595300669 345757405 /nfs/dbraw/zinc/75/74/05/345757405.db2.gz FEKYHYLUPKUXOF-GOSISDBHSA-N 0 3 299.418 2.495 20 30 CEEDHN C=CCCSCCNCc1c(C)nn(C)c1C ZINC000594960843 345717312 /nfs/dbraw/zinc/71/73/12/345717312.db2.gz XIPLCGVFICVBKF-UHFFFAOYSA-N 0 3 253.415 2.436 20 30 CEEDHN C[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000594962412 345718036 /nfs/dbraw/zinc/71/80/36/345718036.db2.gz RHZFFUDZNSKILA-ZEWFUEFWSA-N 0 3 282.434 2.399 20 30 CEEDHN N#Cc1ccc(CNCCO[C@H]2CC2(F)F)cc1F ZINC000594971687 345720359 /nfs/dbraw/zinc/72/03/59/345720359.db2.gz OUPZYDPJGGRDBD-LBPRGKRZSA-N 0 3 270.254 2.211 20 30 CEEDHN CNC(=O)CC1(CNCc2ccc(C#N)o2)CCCCC1 ZINC000594996899 345723221 /nfs/dbraw/zinc/72/32/21/345723221.db2.gz PHXNGSZPLWXRMV-UHFFFAOYSA-N 0 3 289.379 2.327 20 30 CEEDHN C[C@H](c1ccccc1)[C@@H](O)CNCc1ccc(C#N)o1 ZINC000595001658 345724086 /nfs/dbraw/zinc/72/40/86/345724086.db2.gz UWURAODIFFMDBI-WBMJQRKESA-N 0 3 270.332 2.405 20 30 CEEDHN C=CCCSCCNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000595551229 345809918 /nfs/dbraw/zinc/80/99/18/345809918.db2.gz GVHZRIKGSRUSGN-OLZOCXBDSA-N 0 3 285.457 2.078 20 30 CEEDHN C=CCCSCCNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000595554883 345811818 /nfs/dbraw/zinc/81/18/18/345811818.db2.gz GOCPLKVAOGUODJ-OCCSQVGLSA-N 0 3 297.468 2.078 20 30 CEEDHN N#CC[C@]1(O)CCN(CC[C@H]2CCc3ccccc32)C1 ZINC000595556301 345812537 /nfs/dbraw/zinc/81/25/37/345812537.db2.gz BSKPDLVUBZFENV-WBVHZDCISA-N 0 3 270.376 2.457 20 30 CEEDHN COC[C@@H](CN1CC=C(c2ccc(C#N)cc2)CC1)OC ZINC000595406704 345775491 /nfs/dbraw/zinc/77/54/91/345775491.db2.gz FTBBEABLFDZYSS-QGZVFWFLSA-N 0 3 286.375 2.309 20 30 CEEDHN Cc1ccc(CN(CCO)CCc2ccc(C#N)cc2)o1 ZINC000595466508 345789879 /nfs/dbraw/zinc/78/98/79/345789879.db2.gz NBMTUMOVUXHMAN-UHFFFAOYSA-N 0 3 284.359 2.497 20 30 CEEDHN COc1ccc(CN2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1C#N ZINC000595743772 345863953 /nfs/dbraw/zinc/86/39/53/345863953.db2.gz QSXNZPBILXBSAU-ATCWAGBWSA-N 0 3 274.364 2.016 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H]1Cc2ccccc2[C@@H]1C ZINC000595705267 345855543 /nfs/dbraw/zinc/85/55/43/345855543.db2.gz FWFDNJZIQYIJAD-FDQGKXFDSA-N 0 3 299.418 2.359 20 30 CEEDHN COCCSCCCN1CCC[C@@H](CC#N)C1 ZINC000595623980 345830655 /nfs/dbraw/zinc/83/06/55/345830655.db2.gz ZWBAFAXOLWDSPT-ZDUSSCGKSA-N 0 3 256.415 2.382 20 30 CEEDHN CC(C)CC1(NCC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000595832188 345889140 /nfs/dbraw/zinc/88/91/40/345889140.db2.gz SIVAKXCSAFPPEY-UHFFFAOYSA-N 0 3 285.391 2.343 20 30 CEEDHN N#CC1(NC(=O)CN2CCC[C@H](C3CCC3)C2)CCC1 ZINC000595837056 345893035 /nfs/dbraw/zinc/89/30/35/345893035.db2.gz OHVCNVMSDPOAJI-AWEZNQCLSA-N 0 3 275.396 2.061 20 30 CEEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)CC1=CCCOC1 ZINC000595751837 345866375 /nfs/dbraw/zinc/86/63/75/345866375.db2.gz IDNVTKQTFKQXTG-UHFFFAOYSA-N 0 3 299.374 2.165 20 30 CEEDHN CC[C@@H](NCC(=O)Nc1sccc1C#N)C1CC1 ZINC000595765615 345870804 /nfs/dbraw/zinc/87/08/04/345870804.db2.gz MIAALDCBRMEJOI-LLVKDONJSA-N 0 3 263.366 2.336 20 30 CEEDHN C=CCN(CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000595766499 345871202 /nfs/dbraw/zinc/87/12/02/345871202.db2.gz WUBXBLMWWRLKCD-UHFFFAOYSA-N 0 3 279.340 2.043 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1CC[C@H]2C[C@H]2C1 ZINC000595808189 345880042 /nfs/dbraw/zinc/88/00/42/345880042.db2.gz MGEBJPAXPHBTCA-KBPBESRZSA-N 0 3 272.348 2.287 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@H](C)[C@@](C)(CO)C1 ZINC000595878841 345904392 /nfs/dbraw/zinc/90/43/92/345904392.db2.gz VOAZUEZAZOFEAP-BLLLJJGKSA-N 0 3 274.364 2.017 20 30 CEEDHN CCC[C@](C)(N)C(=O)NCC1(C#N)CCCCC1 ZINC000595944993 345916777 /nfs/dbraw/zinc/91/67/77/345916777.db2.gz ZEFITSQUCKFREP-ZDUSSCGKSA-N 0 3 251.374 2.094 20 30 CEEDHN Cc1ccc([C@@H](CNc2c(C#N)cnn2C)N(C)C)cc1 ZINC000596093136 345938421 /nfs/dbraw/zinc/93/84/21/345938421.db2.gz SBYGOGYAXXAHBE-OAHLLOKOSA-N 0 3 283.379 2.315 20 30 CEEDHN Cc1ccccc1[C@H]([C@@H](C)Nc1cc(C#N)cnn1)N(C)C ZINC000596232545 345975659 /nfs/dbraw/zinc/97/56/59/345975659.db2.gz VRLGNGKGOUENDM-DYVFJYSZSA-N 0 3 295.390 2.182 20 30 CEEDHN CC[C@H](C)N1CCN(c2nc3ncccc3cc2C#N)CC1 ZINC000596258597 345982656 /nfs/dbraw/zinc/98/26/56/345982656.db2.gz KPQRQHYICFSQGD-ZDUSSCGKSA-N 0 3 295.390 2.422 20 30 CEEDHN C[N@@H+]1CCC[C@H](CCN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596272249 345987748 /nfs/dbraw/zinc/98/77/48/345987748.db2.gz VMLHQHIPNGJUFS-SECBINFHSA-N 0 3 284.816 2.234 20 30 CEEDHN C[N@H+]1CCC[C@H](CCN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596272249 345987751 /nfs/dbraw/zinc/98/77/51/345987751.db2.gz VMLHQHIPNGJUFS-SECBINFHSA-N 0 3 284.816 2.234 20 30 CEEDHN Cc1cc(N(C)C[C@@H]2CCCN2C)cc(C#N)c1[N+](=O)[O-] ZINC000596280065 345990213 /nfs/dbraw/zinc/99/02/13/345990213.db2.gz ZJVKZEZCCNMVHC-ZDUSSCGKSA-N 0 3 288.351 2.305 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)c2cc(C#N)cn2C)c1 ZINC000176693377 232334931 /nfs/dbraw/zinc/33/49/31/232334931.db2.gz AUQPQNWIMZDCLF-UHFFFAOYSA-N 0 3 282.347 2.211 20 30 CEEDHN CCN(C(=O)Nc1ccc(CC#N)cc1)[C@@H]1CCN(C)C1 ZINC000596658463 346073821 /nfs/dbraw/zinc/07/38/21/346073821.db2.gz IYZOEQCJHSCMPQ-OAHLLOKOSA-N 0 3 286.379 2.311 20 30 CEEDHN CC[C@@H](CNC(=O)[C@H](C)CC#N)N1CCc2ccccc2C1 ZINC000596779245 346089550 /nfs/dbraw/zinc/08/95/50/346089550.db2.gz VEDZDDODCKPTNU-PBHICJAKSA-N 0 3 299.418 2.489 20 30 CEEDHN CCCN1CC[C@H](NC(=O)Nc2cccc(C#N)c2C)C1 ZINC000596800769 346091553 /nfs/dbraw/zinc/09/15/53/346091553.db2.gz MZEOUKJTXWFLTF-AWEZNQCLSA-N 0 3 286.379 2.473 20 30 CEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCF ZINC000596972910 346110891 /nfs/dbraw/zinc/11/08/91/346110891.db2.gz GHDLVNRHJZUWIL-UHFFFAOYSA-N 0 3 291.370 2.198 20 30 CEEDHN C[C@H](CC#N)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000597118093 346130895 /nfs/dbraw/zinc/13/08/95/346130895.db2.gz ZMCWXNNIDPYISP-ZIAGYGMSSA-N 0 3 263.385 2.013 20 30 CEEDHN CCN(CCNC(=O)CC1(C#N)CCCCC1)C1CC1 ZINC000597125892 346131377 /nfs/dbraw/zinc/13/13/77/346131377.db2.gz CHMPXXDUAHVYGD-UHFFFAOYSA-N 0 3 277.412 2.451 20 30 CEEDHN COC[C@H]1CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597136657 346133722 /nfs/dbraw/zinc/13/37/22/346133722.db2.gz ZSNBNYQTBORTLL-OAHLLOKOSA-N 0 3 256.349 2.462 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000597656282 346211862 /nfs/dbraw/zinc/21/18/62/346211862.db2.gz JOHYXWGGCREVBH-RISCZKNCSA-N 0 3 277.343 2.094 20 30 CEEDHN C[C@@H](CC#N)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000597389481 346180120 /nfs/dbraw/zinc/18/01/20/346180120.db2.gz JRRIBIJDJLILFW-HOCLYGCPSA-N 0 3 285.391 2.269 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)CC1(C#N)CCCCC1 ZINC000597792204 346231255 /nfs/dbraw/zinc/23/12/55/346231255.db2.gz VVCKCBJOBSFFDG-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000597860190 346240185 /nfs/dbraw/zinc/24/01/85/346240185.db2.gz LJWVUYXQEXCCKH-SUMWQHHRSA-N 0 3 289.423 2.449 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)NCCc1ccc(C#N)cc1 ZINC000597892593 346246992 /nfs/dbraw/zinc/24/69/92/346246992.db2.gz XGIYOCLXBBTLOE-MRXNPFEDSA-N 0 3 285.391 2.091 20 30 CEEDHN CCN(C(=O)[C@@H](C)Cc1ccc(C#N)cc1)[C@@H]1CCN(C)C1 ZINC000597945669 346256165 /nfs/dbraw/zinc/25/61/65/346256165.db2.gz IZNXODJZBICBGO-WMLDXEAASA-N 0 3 299.418 2.289 20 30 CEEDHN C[C@H](C#N)N(C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC000598128899 346293891 /nfs/dbraw/zinc/29/38/91/346293891.db2.gz DEGISHAQLKFYBI-RVMXOQNASA-N 0 3 263.385 2.151 20 30 CEEDHN CC[C@H](C(=O)N([C@H](C)C#N)C1CC1)N(CC)CC ZINC000598127845 346294228 /nfs/dbraw/zinc/29/42/28/346294228.db2.gz DNXSJIBLLSTORE-DGCLKSJQSA-N 0 3 251.374 2.010 20 30 CEEDHN C[C@H](C#N)N(C(=O)C1CN(C2CCCCC2)C1)C1CC1 ZINC000598137458 346298485 /nfs/dbraw/zinc/29/84/85/346298485.db2.gz QDZNTGZWESJKIS-GFCCVEGCSA-N 0 3 275.396 2.154 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)COc1c(F)cccc1F ZINC000598153429 346300726 /nfs/dbraw/zinc/30/07/26/346300726.db2.gz KKNIUGKWYZZPRG-RKDXNWHRSA-N 0 3 268.263 2.008 20 30 CEEDHN CCCN1CC[C@H](NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC000598342224 346331962 /nfs/dbraw/zinc/33/19/62/346331962.db2.gz KSSXTCQVEONCGZ-YOEHRIQHSA-N 0 3 299.418 2.337 20 30 CEEDHN CCCN1CC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000598343419 346332253 /nfs/dbraw/zinc/33/22/53/346332253.db2.gz USEOJCLJGWQLID-BBRMVZONSA-N 0 3 275.396 2.061 20 30 CEEDHN COc1cccc([C@]2(C)CCN(C(=O)C(C)C#N)C2)c1 ZINC000598223201 346310324 /nfs/dbraw/zinc/31/03/24/346310324.db2.gz AWGIERWVYNQRCG-BLLLJJGKSA-N 0 3 272.348 2.345 20 30 CEEDHN CCN(C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)[C@@H](C)C#N ZINC000598356693 346336743 /nfs/dbraw/zinc/33/67/43/346336743.db2.gz VGLACTNCEBQMDT-RNJOBUHISA-N 0 3 251.374 2.008 20 30 CEEDHN CCN(C(=O)c1cccc(CN(C)C)c1)[C@H](C)C#N ZINC000598360850 346338640 /nfs/dbraw/zinc/33/86/40/346338640.db2.gz WLCZJRXPFQIWLK-GFCCVEGCSA-N 0 3 259.353 2.122 20 30 CEEDHN CC12CC(C1)CN2C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598572590 346376533 /nfs/dbraw/zinc/37/65/33/346376533.db2.gz XOHRMYIMGHAFSA-ISXOHVOVSA-N 0 3 279.343 2.251 20 30 CEEDHN COc1cc(CN(C)C[C@H](O)CC(C)(C)C#N)ccc1O ZINC000598590323 346378594 /nfs/dbraw/zinc/37/85/94/346378594.db2.gz PPPMQSBQKMEWEV-CYBMUJFWSA-N 0 3 292.379 2.133 20 30 CEEDHN CCN(Cc1ccoc1)C[C@H](O)CC(C)(C)C#N ZINC000598589183 346378914 /nfs/dbraw/zinc/37/89/14/346378914.db2.gz GVOCWJMZFWATKX-CYBMUJFWSA-N 0 3 250.342 2.402 20 30 CEEDHN COc1ccc(CN(C)C[C@H](O)CC(C)(C)C#N)cc1O ZINC000598594175 346380136 /nfs/dbraw/zinc/38/01/36/346380136.db2.gz ZSXVCQKPJOBQRR-CYBMUJFWSA-N 0 3 292.379 2.133 20 30 CEEDHN C[C@@H](c1ccccn1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598601098 346381897 /nfs/dbraw/zinc/38/18/97/346381897.db2.gz ZDOGNSVDANDIIE-QWHCGFSZSA-N 0 3 261.369 2.375 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN[C@H](CCO)c1ccccc1 ZINC000598603716 346382585 /nfs/dbraw/zinc/38/25/85/346382585.db2.gz ZDHWRWRLXXELGT-LSDHHAIUSA-N 0 3 276.380 2.000 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H](OCC2CC2)C1 ZINC000598608785 346383529 /nfs/dbraw/zinc/38/35/29/346383529.db2.gz POXIZYMPFCTZBA-CABCVRRESA-N 0 3 280.412 2.178 20 30 CEEDHN CC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1c(C)nn(C)c1C ZINC000598612952 346383851 /nfs/dbraw/zinc/38/38/51/346383851.db2.gz SSNDSDLUCCOQPC-ZIAGYGMSSA-N 0 3 292.427 2.378 20 30 CEEDHN COCC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccco1 ZINC000598611729 346384162 /nfs/dbraw/zinc/38/41/62/346384162.db2.gz INBNOGJIBKCCJY-STQMWFEESA-N 0 3 280.368 2.248 20 30 CEEDHN COc1cc(C)cc(CNC[C@H](O)CC(C)(C)C#N)c1 ZINC000598726433 346409836 /nfs/dbraw/zinc/40/98/36/346409836.db2.gz SXJOJCIATBPRBH-CQSZACIVSA-N 0 3 276.380 2.394 20 30 CEEDHN CC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccncc1 ZINC000598720035 346407649 /nfs/dbraw/zinc/40/76/49/346407649.db2.gz LKJXBOFGLBDGBT-ZIAGYGMSSA-N 0 3 261.369 2.423 20 30 CEEDHN Cc1cccc([C@@H]2CCCN2C(=O)[C@H](N)CCCC#N)n1 ZINC000598665521 346396254 /nfs/dbraw/zinc/39/62/54/346396254.db2.gz PUGSJBAMJZFXMG-HIFRSBDPSA-N 0 3 286.379 2.075 20 30 CEEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1cccc(C#N)c1 ZINC000599348598 346503991 /nfs/dbraw/zinc/50/39/91/346503991.db2.gz HQAFYTFQVKHMGT-IUODEOHRSA-N 0 3 269.348 2.264 20 30 CEEDHN Cc1ccc(CN2CCN(C)C(C)(C)C2)cc1C#N ZINC000599395627 346513063 /nfs/dbraw/zinc/51/30/63/346513063.db2.gz BYIIENDXFLTGLG-UHFFFAOYSA-N 0 3 257.381 2.393 20 30 CEEDHN Cc1ccc(CN2CCC[C@@H](N3CCOCC3)C2)cc1C#N ZINC000599431761 346517639 /nfs/dbraw/zinc/51/76/39/346517639.db2.gz COQOHZTYQPXBPO-GOSISDBHSA-N 0 3 299.418 2.163 20 30 CEEDHN Cc1ccc(CN2CCN(C[C@@H]3CCOC3)CC2)cc1C#N ZINC000599306242 346495499 /nfs/dbraw/zinc/49/54/99/346495499.db2.gz GKAGDKLOBUWAKY-KRWDZBQOSA-N 0 3 299.418 2.021 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCCC2(CC2)CC1 ZINC000599672426 346560165 /nfs/dbraw/zinc/56/01/65/346560165.db2.gz DFEIPYUSXHEXTE-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN Cc1ccc(CN2C[C@H](C)[C@](C)(CO)C2)cc1C#N ZINC000599481323 346527572 /nfs/dbraw/zinc/52/75/72/346527572.db2.gz KCFHHRULXIHAAC-BBRMVZONSA-N 0 3 258.365 2.317 20 30 CEEDHN Cc1ccc(CN2CC[C@@H](C)[C@@H](CO)C2)cc1C#N ZINC000599491005 346528586 /nfs/dbraw/zinc/52/85/86/346528586.db2.gz PHTAVLIRMBOFKQ-CZUORRHYSA-N 0 3 258.365 2.317 20 30 CEEDHN COC[C@H]1CCCCN(Cc2cccc(C#N)n2)C1 ZINC000602612004 347102176 /nfs/dbraw/zinc/10/21/76/347102176.db2.gz PQVAXFDBDDVRLJ-ZDUSSCGKSA-N 0 3 259.353 2.202 20 30 CEEDHN COC(=O)CC1CCC(NCC2(C#N)CC2)CC1 ZINC000600153933 346607715 /nfs/dbraw/zinc/60/77/15/346607715.db2.gz SVKVSQGIPJFBBD-UHFFFAOYSA-N 0 3 250.342 2.002 20 30 CEEDHN CC[C@@H](C#N)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600228531 346627883 /nfs/dbraw/zinc/62/78/83/346627883.db2.gz DNTRMTFSHZKSOK-GXTWGEPZSA-N 0 3 263.385 2.059 20 30 CEEDHN N#C[C@@H]1CC[C@H](n2cc(CNC3CCCC3)nn2)C1 ZINC000600973745 346723238 /nfs/dbraw/zinc/72/32/38/346723238.db2.gz QWPBXAFVIZGFMJ-RISCZKNCSA-N 0 3 259.357 2.175 20 30 CEEDHN Cc1ccc2[nH]c(CNC[C@@H](O)CC3(C#N)CC3)nc2c1 ZINC000600731759 346680280 /nfs/dbraw/zinc/68/02/80/346680280.db2.gz ZLUJEYYCAVGQQU-LBPRGKRZSA-N 0 3 284.363 2.016 20 30 CEEDHN Cc1ccc2nc(CNC[C@@H](O)CC3(C#N)CC3)[nH]c2c1 ZINC000600731759 346680281 /nfs/dbraw/zinc/68/02/81/346680281.db2.gz ZLUJEYYCAVGQQU-LBPRGKRZSA-N 0 3 284.363 2.016 20 30 CEEDHN N#CC1(C[C@H](O)CNCc2ccnc(C(F)(F)F)c2)CC1 ZINC000600738768 346681971 /nfs/dbraw/zinc/68/19/71/346681971.db2.gz KVXOYOAYWOLECU-NSHDSACASA-N 0 3 299.296 2.245 20 30 CEEDHN CN(C)CCn1cc(-c2ccc(F)c(C#N)c2)cn1 ZINC000600782336 346689264 /nfs/dbraw/zinc/68/92/64/346689264.db2.gz PMIKJNVQIMZKMY-UHFFFAOYSA-N 0 3 258.300 2.122 20 30 CEEDHN N#Cc1cnc(N[C@@H]2CCN(C3CC3)C2)c2sccc21 ZINC000601108230 346754845 /nfs/dbraw/zinc/75/48/45/346754845.db2.gz JJEKTELXNRODOE-LLVKDONJSA-N 0 3 284.388 2.238 20 30 CEEDHN C[C@H](CCC#N)CN1CCN(C(=O)N(C)C)CC1(C)C ZINC000602616698 347104370 /nfs/dbraw/zinc/10/43/70/347104370.db2.gz MWVPOPWYBCOEHX-CYBMUJFWSA-N 0 3 280.416 2.004 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)C2(C#N)CC3(CC3)C2)CCN1C ZINC000601224597 346795047 /nfs/dbraw/zinc/79/50/47/346795047.db2.gz IDJCYWFQASVOJS-CHWSQXEVSA-N 0 3 275.396 2.011 20 30 CEEDHN Cc1cccc(CN2CC[C@H](Nc3ccc(C#N)cn3)C2)c1 ZINC000601240809 346800349 /nfs/dbraw/zinc/80/03/49/346800349.db2.gz XXNFVDQCVVXCES-KRWDZBQOSA-N 0 3 292.386 2.370 20 30 CEEDHN CO[C@@]1(C)CCCN(Cc2cccc(C#N)n2)CC1 ZINC000602639124 347117899 /nfs/dbraw/zinc/11/78/99/347117899.db2.gz UCQPVDQADZVIBC-HNNXBMFYSA-N 0 3 259.353 2.344 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCO[C@@H](c3cccnc3)C2)n1 ZINC000602679636 347141146 /nfs/dbraw/zinc/14/11/46/347141146.db2.gz AJEVOEAQBHHWTN-RHSMWYFYSA-N 0 3 294.358 2.358 20 30 CEEDHN C[C@@H](CCC#N)CN1CCO[C@@]2(CCSC2)C1 ZINC000602698591 347154417 /nfs/dbraw/zinc/15/44/17/347154417.db2.gz DAVWBJXGLMEHFO-STQMWFEESA-N 0 3 254.399 2.134 20 30 CEEDHN C[C@H]1OCC[C@H]1CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000602765138 347188462 /nfs/dbraw/zinc/18/84/62/347188462.db2.gz DHXLXRSDELDCJL-QAPCUYQASA-N 0 3 299.418 2.101 20 30 CEEDHN N#CCC[C@H](C#N)CN1CCCN(c2ccncc2)CC1 ZINC000602844718 347221952 /nfs/dbraw/zinc/22/19/52/347221952.db2.gz DVDMAXNDDJMEHW-OAHLLOKOSA-N 0 3 283.379 2.037 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CCc2ncnn21 ZINC000602847089 347222925 /nfs/dbraw/zinc/22/29/25/347222925.db2.gz SCERSEZXOZNODX-DOMZBBRYSA-N 0 3 281.363 2.330 20 30 CEEDHN CN(C)C[C@H]1COC2(CCCC2)CN1CC1(CC#N)CC1 ZINC000602906498 347243729 /nfs/dbraw/zinc/24/37/29/347243729.db2.gz KUJPKPWVAHYZBL-HNNXBMFYSA-N 0 3 291.439 2.255 20 30 CEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1ccnc(C#N)c1 ZINC000603126456 347292088 /nfs/dbraw/zinc/29/20/88/347292088.db2.gz PDTOTCXQHPCBNQ-SWLSCSKDSA-N 0 3 299.378 2.044 20 30 CEEDHN CC[C@@]1(O)CCCN(CCOc2cccc(C#N)c2)C1 ZINC000602981329 347265105 /nfs/dbraw/zinc/26/51/05/347265105.db2.gz BNVRECPAMOPBDS-MRXNPFEDSA-N 0 3 274.364 2.174 20 30 CEEDHN CC1(F)CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000602993231 347269107 /nfs/dbraw/zinc/26/91/07/347269107.db2.gz UYCRYZCVBPZMJE-CQSZACIVSA-N 0 3 292.354 2.122 20 30 CEEDHN N#Cc1cc(CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)ccn1 ZINC000602997430 347269749 /nfs/dbraw/zinc/26/97/49/347269749.db2.gz JREIZDAUBANRNG-PMPSAXMXSA-N 0 3 271.364 2.079 20 30 CEEDHN C[C@@H](CN(C)C)Nc1cc(C#N)c(Br)cn1 ZINC000603375431 347352249 /nfs/dbraw/zinc/35/22/49/347352249.db2.gz DTAZBEMDWNKMOK-QMMMGPOBSA-N 0 3 283.173 2.078 20 30 CEEDHN CC(C)(C)[C@@H](N)c1cn(CCOc2ccccc2C#N)nn1 ZINC000603210858 347310139 /nfs/dbraw/zinc/31/01/39/347310139.db2.gz GGYWUPWBTPQFOJ-HNNXBMFYSA-N 0 3 299.378 2.275 20 30 CEEDHN CC[C@@H](N)c1cn(CCCOc2cccc(C#N)c2)nn1 ZINC000603242653 347320271 /nfs/dbraw/zinc/32/02/71/347320271.db2.gz OPJBXEJDLHXNTF-CQSZACIVSA-N 0 3 285.351 2.029 20 30 CEEDHN C=C(Cl)COc1ccc([C@H](C)NC[C@@H](O)COC)cc1 ZINC000129735433 365890863 /nfs/dbraw/zinc/89/08/63/365890863.db2.gz BLYJDOLQVCVSRR-GXTWGEPZSA-N 0 3 299.798 2.476 20 30 CEEDHN C=CCN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000065963164 362848397 /nfs/dbraw/zinc/84/83/97/362848397.db2.gz IGUVTKNWWXRKBP-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C#N)cc1F ZINC000610426205 347680569 /nfs/dbraw/zinc/68/05/69/347680569.db2.gz HYCSTPSSPKAVFH-RYUDHWBXSA-N 0 3 289.354 2.186 20 30 CEEDHN C[C@H](NCCOC[C@@H]1CCOC1)c1ccc(C#N)c(F)c1 ZINC000611465729 347781786 /nfs/dbraw/zinc/78/17/86/347781786.db2.gz GGWUAHAIBVCBHI-QWHCGFSZSA-N 0 3 292.354 2.401 20 30 CEEDHN C[C@@H]1COCCCN1CCC(=O)Nc1sccc1C#N ZINC000610990847 347727900 /nfs/dbraw/zinc/72/79/00/347727900.db2.gz QESVRIJXEGFCLD-LLVKDONJSA-N 0 3 293.392 2.059 20 30 CEEDHN C[C@@](CO)(NCc1ccnc(C#N)c1)C1CCCCC1 ZINC000610993433 347729290 /nfs/dbraw/zinc/72/92/90/347729290.db2.gz RTPSERLBTHWWCU-INIZCTEOSA-N 0 3 273.380 2.374 20 30 CEEDHN C[C@H](NCC(C)(C)CO)c1ccc(C#N)cc1F ZINC000611588991 347797976 /nfs/dbraw/zinc/79/79/76/347797976.db2.gz ITWVENULGKQCTE-JTQLQIEISA-N 0 3 250.317 2.366 20 30 CEEDHN CSCCNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000611497505 347785393 /nfs/dbraw/zinc/78/53/93/347785393.db2.gz FKPNDCAGXHZPSH-UHFFFAOYSA-N 0 3 286.404 2.411 20 30 CEEDHN CN(CCC(=O)N1CCC[C@@](C)(C#N)C1)c1ccncc1 ZINC000612365394 347874368 /nfs/dbraw/zinc/87/43/68/347874368.db2.gz IIEZEKIAMUPXNP-INIZCTEOSA-N 0 3 286.379 2.060 20 30 CEEDHN N#C[C@@H](c1ccccc1)N1CCN(C[C@@H]2CCCOC2)CC1 ZINC000336854474 365928375 /nfs/dbraw/zinc/92/83/75/365928375.db2.gz DZPRVMVPUPSTAE-WMZOPIPTSA-N 0 3 299.418 2.295 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccon1)C(C)C ZINC000130307794 365943329 /nfs/dbraw/zinc/94/33/29/365943329.db2.gz QSESCSJQSWBJGB-AWEZNQCLSA-N 0 3 277.368 2.103 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCO[C@]3(CCOC3)C2)c(F)c1 ZINC000356291938 232807424 /nfs/dbraw/zinc/80/74/24/232807424.db2.gz WNCKZTXWMLMXIZ-GDBMZVCRSA-N 0 3 290.338 2.125 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC[C@H]([C@@H](C)O)C1 ZINC000614403855 348194852 /nfs/dbraw/zinc/19/48/52/348194852.db2.gz SGMNFBQUYUZDMI-CJNGLKHVSA-N 0 3 258.365 2.460 20 30 CEEDHN C=CCN1CC[C@@H](N(CCC(C)C)C2CC2)C1=O ZINC000337141546 539637122 /nfs/dbraw/zinc/63/71/22/539637122.db2.gz SLKSUMCQRUACIX-CQSZACIVSA-N 0 3 250.386 2.284 20 30 CEEDHN CN(C)CCN(Cc1ccco1)C(=O)c1cccc(C#N)c1 ZINC000088229959 179568163 /nfs/dbraw/zinc/56/81/63/179568163.db2.gz DWSOMADPDGROHI-UHFFFAOYSA-N 0 3 297.358 2.355 20 30 CEEDHN COc1cccc2c1OC[C@H](N[C@H]1CC[C@H](C#N)C1)C2 ZINC000617583045 348744176 /nfs/dbraw/zinc/74/41/76/348744176.db2.gz NRDMJPODHKAXER-FPMFFAJLSA-N 0 3 272.348 2.281 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357534859 233090613 /nfs/dbraw/zinc/09/06/13/233090613.db2.gz RFKKZVDNZQZRAO-YGRLFVJLSA-N 0 3 286.335 2.361 20 30 CEEDHN CCC[C@]1(CO)CCCN1Cc1ccnc(C#N)c1 ZINC000618324052 348924726 /nfs/dbraw/zinc/92/47/26/348924726.db2.gz IMKULGSCXUWEDI-OAHLLOKOSA-N 0 3 259.353 2.080 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](CO)c2ccsc2)C1 ZINC000618578582 348981793 /nfs/dbraw/zinc/98/17/93/348981793.db2.gz HURWJUQNMFHHRN-RTXFEEFZSA-N 0 3 250.367 2.453 20 30 CEEDHN C=CCOCCCNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000618522728 348965699 /nfs/dbraw/zinc/96/56/99/348965699.db2.gz RNQNSSWGHDIKKX-HNNXBMFYSA-N 0 3 282.428 2.206 20 30 CEEDHN C[C@H](CNc1cncc(C#N)n1)N(C)Cc1ccccc1 ZINC000401320397 233181889 /nfs/dbraw/zinc/18/18/89/233181889.db2.gz IUZPJYDTLDCLOK-CYBMUJFWSA-N 0 3 281.363 2.281 20 30 CEEDHN N#Cc1cncc(N[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000401360908 233182182 /nfs/dbraw/zinc/18/21/82/233182182.db2.gz FBSJGJKMIVUKJR-CQSZACIVSA-N 0 3 279.347 2.035 20 30 CEEDHN C[C@@H](CCC#N)CN1CCC(O)(C(F)(F)F)CC1 ZINC000618887568 349059856 /nfs/dbraw/zinc/05/98/56/349059856.db2.gz FMRNJWHDZRNAHG-JTQLQIEISA-N 0 3 264.291 2.315 20 30 CEEDHN C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000619281255 349150332 /nfs/dbraw/zinc/15/03/32/349150332.db2.gz MDXCZQMHSNLKGC-WBMJQRKESA-N 0 3 281.359 2.403 20 30 CEEDHN COC(=O)C[C@@H]1CC[C@@H](NCC(C)(C)C#N)[C@@H]1C ZINC000619428857 349178620 /nfs/dbraw/zinc/17/86/20/349178620.db2.gz GARMSPODFUYMSB-GRYCIOLGSA-N 0 3 252.358 2.104 20 30 CEEDHN COC(=O)C[C@@H]1CC[C@@H](NCC(C)(C)C#N)[C@H]1C ZINC000619428858 349178807 /nfs/dbraw/zinc/17/88/07/349178807.db2.gz GARMSPODFUYMSB-SDDRHHMPSA-N 0 3 252.358 2.104 20 30 CEEDHN N#Cc1cc(NCCN2CC=CCC2)c2ccccc2n1 ZINC000619503247 349189874 /nfs/dbraw/zinc/18/98/74/349189874.db2.gz BBXBGFWHYKPCMU-UHFFFAOYSA-N 0 3 278.359 2.202 20 30 CEEDHN N#Cc1nc(NCCN2CCCCC2)ccc1C(F)(F)F ZINC000619694607 349219359 /nfs/dbraw/zinc/21/93/59/349219359.db2.gz SKIXSDDSLNHXAR-UHFFFAOYSA-N 0 3 298.312 2.292 20 30 CEEDHN COC1(CNCc2ccc(C#N)c(Cl)c2)CCOCC1 ZINC000619748802 349232360 /nfs/dbraw/zinc/23/23/60/349232360.db2.gz PJPGFJCHYCJPSN-UHFFFAOYSA-N 0 3 294.782 2.497 20 30 CEEDHN CCN(CC)CC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619781197 349235197 /nfs/dbraw/zinc/23/51/97/349235197.db2.gz YSAIKAZTSDVMSY-UHFFFAOYSA-N 0 3 279.771 2.170 20 30 CEEDHN C=CC[C@H](C)NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623623338 350067738 /nfs/dbraw/zinc/06/77/38/350067738.db2.gz JAIJQKUQXSWXBQ-JSGCOSHPSA-N 0 3 265.401 2.267 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](c1ccccc1)C1CCC1 ZINC000104697582 186016723 /nfs/dbraw/zinc/01/67/23/186016723.db2.gz VOJSYMBHXGVWKZ-XJKSGUPXSA-N 0 3 270.376 2.255 20 30 CEEDHN C=CCC[C@@H](NC[C@H]1COCCN1C)c1ccco1 ZINC000624176290 350218934 /nfs/dbraw/zinc/21/89/34/350218934.db2.gz HQQXMUPBZAGFGL-UONOGXRCSA-N 0 3 264.369 2.207 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc3c(C)n[nH]c3c2)CC1 ZINC000091825954 180264856 /nfs/dbraw/zinc/26/48/56/180264856.db2.gz TXKXDCMOXYWOPP-UHFFFAOYSA-N 0 3 296.374 2.155 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc3c(C)[nH]nc3c2)CC1 ZINC000091825954 180264860 /nfs/dbraw/zinc/26/48/60/180264860.db2.gz TXKXDCMOXYWOPP-UHFFFAOYSA-N 0 3 296.374 2.155 20 30 CEEDHN C#CCCOc1ccc(CN(C)C[C@H](C)C(=O)OC)cc1 ZINC000091986356 180298336 /nfs/dbraw/zinc/29/83/36/180298336.db2.gz SEAGGAHRHCDSPO-AWEZNQCLSA-N 0 3 289.375 2.330 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)OCCCC)CC1 ZINC000106033987 186099293 /nfs/dbraw/zinc/09/92/93/186099293.db2.gz OVAMVELSGJXIJH-CQSZACIVSA-N 0 3 282.428 2.348 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2cccnc2)CC1 ZINC000106037204 186099461 /nfs/dbraw/zinc/09/94/61/186099461.db2.gz NVVGTSYOUSJDJV-AATRIKPKSA-N 0 3 285.391 2.252 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@@H](C)C(F)(F)F)CC1 ZINC000625321752 350464677 /nfs/dbraw/zinc/46/46/77/350464677.db2.gz OVAJIUXDUMYLDD-SNVBAGLBSA-N 0 3 278.318 2.342 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCCSCC)CC1 ZINC000337001962 365980117 /nfs/dbraw/zinc/98/01/17/365980117.db2.gz VIYBEAMIIFJROB-UHFFFAOYSA-N 0 3 285.457 2.079 20 30 CEEDHN C[C@@H](N[C@@H]1CCCOC1)c1ccc(OCC#N)cc1 ZINC000109544936 186262112 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C=CCCC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000102647683 364604114 /nfs/dbraw/zinc/60/41/14/364604114.db2.gz NNZDEAKXWVQWRZ-GASCZTMLSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000680110083 541368721 /nfs/dbraw/zinc/36/87/21/541368721.db2.gz UXAKZOYVIPLQQV-CABCVRRESA-N 0 3 265.328 2.216 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)NCC2CCC(C#N)CC2)CCN1C ZINC000335230627 364659457 /nfs/dbraw/zinc/65/94/57/364659457.db2.gz YRWWDRLXWBTZLF-VXGQWTEUSA-N 0 3 292.427 2.098 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCOCC1 ZINC000335564891 364806241 /nfs/dbraw/zinc/80/62/41/364806241.db2.gz VKQJJBGIJMFVHP-CABCVRRESA-N 0 3 292.423 2.054 20 30 CEEDHN N#Cc1cccc2c1CCN2C(=O)C1CCN(C2CC2)CC1 ZINC000335594949 212307717 /nfs/dbraw/zinc/30/77/17/212307717.db2.gz JDIIUUDXTLDTND-UHFFFAOYSA-N 0 3 295.386 2.322 20 30 CEEDHN C=CC[C@H](CO)NCc1cc(OC)ccc1OC(F)F ZINC000680484499 541418801 /nfs/dbraw/zinc/41/88/01/541418801.db2.gz LAQASEVSRAAKSI-LLVKDONJSA-N 0 3 287.306 2.323 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC(C)(C)CC2)CC1 ZINC000335800740 365002084 /nfs/dbraw/zinc/00/20/84/365002084.db2.gz XNIVTHBYSCMDCV-UHFFFAOYSA-N 0 3 279.428 2.468 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000115551868 365012871 /nfs/dbraw/zinc/01/28/71/365012871.db2.gz YYEJUOBPXOICNS-IJEWVQPXSA-N 0 3 270.376 2.002 20 30 CEEDHN N#Cc1ccccc1CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000335835426 365049645 /nfs/dbraw/zinc/04/96/45/365049645.db2.gz JXZQNAULUQRFEY-JKSUJKDBSA-N 0 3 256.349 2.417 20 30 CEEDHN C[C@H]1[C@H](C)N(Cc2cc(C#N)ccc2F)CCN1C ZINC000335571475 212282064 /nfs/dbraw/zinc/28/20/64/212282064.db2.gz CTQMMLGCLUXSCF-RYUDHWBXSA-N 0 3 261.344 2.222 20 30 CEEDHN CC(C#N)C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000335909356 365148568 /nfs/dbraw/zinc/14/85/68/365148568.db2.gz CKDRWCRMKZOFQG-AWEZNQCLSA-N 0 3 285.391 2.269 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@H](CC(C)C)C1 ZINC000119261196 365244017 /nfs/dbraw/zinc/24/40/17/365244017.db2.gz HBWCDJJBIPKLCB-KBPBESRZSA-N 0 3 252.402 2.435 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000119710566 365313466 /nfs/dbraw/zinc/31/34/66/365313466.db2.gz SFNHFKTZGJXXKY-GFCCVEGCSA-N 0 3 271.364 2.079 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000336070005 365364963 /nfs/dbraw/zinc/36/49/63/365364963.db2.gz WYLRZDUBSYTXHU-SFYZADRCSA-N 0 3 282.141 2.181 20 30 CEEDHN C=CCCCN(C)CC(=O)NCc1ccc(OC)cc1 ZINC000121071055 365519191 /nfs/dbraw/zinc/51/91/91/365519191.db2.gz XLDPOIVPBUYWDW-UHFFFAOYSA-N 0 3 276.380 2.209 20 30 CEEDHN C=CCCOCCNCc1cc(OC)ccc1OC ZINC000120803180 365478307 /nfs/dbraw/zinc/47/83/07/365478307.db2.gz CRXXMMUPZMUHGO-UHFFFAOYSA-N 0 3 265.353 2.386 20 30 CEEDHN C[C@H](O)C[C@H]1CCCCN1Cc1ccc(C#N)cn1 ZINC000582428493 366912080 /nfs/dbraw/zinc/91/20/80/366912080.db2.gz PRELBCNTQFOPAA-SWLSCSKDSA-N 0 3 259.353 2.079 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC[C@H]1c1ccc(COC)o1 ZINC000681039569 541491119 /nfs/dbraw/zinc/49/11/19/541491119.db2.gz MHQDQJAKWXLJGL-UONOGXRCSA-N 0 3 265.353 2.500 20 30 CEEDHN CN(C)CCNc1ccc(C#N)cc1Br ZINC000160059532 366970797 /nfs/dbraw/zinc/97/07/97/366970797.db2.gz JXCDNLXPIZVMBW-UHFFFAOYSA-N 0 3 268.158 2.294 20 30 CEEDHN CCCN(CC(=O)NCc1ccc(C#N)cc1)C(C)C ZINC000583572901 367069096 /nfs/dbraw/zinc/06/90/96/367069096.db2.gz FVABGVYFGADWJN-UHFFFAOYSA-N 0 3 273.380 2.295 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)NCCN1CCC(C)CC1 ZINC000161682437 367105164 /nfs/dbraw/zinc/10/51/64/367105164.db2.gz OPWREAVHRAUHKD-UHFFFAOYSA-N 0 3 285.391 2.328 20 30 CEEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CCCCCC#N ZINC000588381788 367193204 /nfs/dbraw/zinc/19/32/04/367193204.db2.gz ZTHGNYLMYMTJNJ-OAHLLOKOSA-N 0 3 295.427 2.030 20 30 CEEDHN C[C@@H]1CN(CCCC(C)(C)C#N)C[C@@H](C)N1CC#N ZINC000602864973 367217662 /nfs/dbraw/zinc/21/76/62/367217662.db2.gz RIFWPIYVRCQLBH-ZIAGYGMSSA-N 0 3 262.401 2.235 20 30 CEEDHN C[C@H](N[C@H]1C=C[C@H](CO)C1)c1ccc(C#N)c(F)c1 ZINC000341246912 367242680 /nfs/dbraw/zinc/24/26/80/367242680.db2.gz MRAAKGDRRHJYBD-MJVIPROJSA-N 0 3 260.312 2.285 20 30 CEEDHN C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000631468326 367337611 /nfs/dbraw/zinc/33/76/11/367337611.db2.gz JVSKJBBZMAQGJA-CHWSQXEVSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](C)C[S@@](C)=O)cc1 ZINC000168143601 367347354 /nfs/dbraw/zinc/34/73/54/367347354.db2.gz OMIHUJIYDDRKMB-SGTLLEGYSA-N 0 3 267.394 2.108 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C)(OC)CC1 ZINC000342157099 367389092 /nfs/dbraw/zinc/38/90/92/367389092.db2.gz QZFMAIIISDPSOG-AWEZNQCLSA-N 0 3 282.428 2.300 20 30 CEEDHN C=C(C)CN1CCC(Nc2nccc(C#N)c2Cl)CC1 ZINC000342246586 367396601 /nfs/dbraw/zinc/39/66/01/367396601.db2.gz SJXHDQSDQOLZJX-UHFFFAOYSA-N 0 3 290.798 2.481 20 30 CEEDHN CCN1C[C@@H](C)N(c2cc(C)nc(C#N)c2)C[C@H]1C ZINC000342474835 367411730 /nfs/dbraw/zinc/41/17/30/367411730.db2.gz NCCAJJYCNGBLOR-CHWSQXEVSA-N 0 3 258.369 2.181 20 30 CEEDHN Cc1ccc(F)c(NC(=O)C(C#N)c2ccncn2)c1 ZINC000341498322 367358394 /nfs/dbraw/zinc/35/83/94/367358394.db2.gz JAYHTGIFZOEGSY-SNVBAGLBSA-N 0 3 270.267 2.170 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1ccnc(C#N)c1 ZINC000342831975 367561419 /nfs/dbraw/zinc/56/14/19/367561419.db2.gz PYJZZZWHZRDMOO-RDTXWAMCSA-N 0 3 292.386 2.308 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)OCC(F)(F)F)CC1 ZINC000171548290 367563746 /nfs/dbraw/zinc/56/37/46/367563746.db2.gz UYOXJEPRLUEGIM-UHFFFAOYSA-N 0 3 280.290 2.315 20 30 CEEDHN C=CCCN(C)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000342734106 367506456 /nfs/dbraw/zinc/50/64/56/367506456.db2.gz HMTXHMLPMNZLNG-GFCCVEGCSA-N 0 3 250.386 2.284 20 30 CEEDHN CCc1nn(C)c(Cl)c1CNCCCCC#N ZINC000172064809 367667213 /nfs/dbraw/zinc/66/72/13/367667213.db2.gz YLMVOUUCOFSVIO-UHFFFAOYSA-N 0 3 254.765 2.419 20 30 CEEDHN CCn1ccnc1[C@H]1OCC[C@H]1NCc1cccc(C#N)c1 ZINC000343381643 367781888 /nfs/dbraw/zinc/78/18/88/367781888.db2.gz DHPXQAZMZUCCJV-CVEARBPZSA-N 0 3 296.374 2.394 20 30 CEEDHN C=C(C)[C@H](CC(=O)NCCN1CC=C(C)CC1)OCC ZINC000358074963 370893048 /nfs/dbraw/zinc/89/30/48/370893048.db2.gz SIINECZCGMDUDE-HNNXBMFYSA-N 0 3 280.412 2.126 20 30 CEEDHN COCC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000343518359 367859522 /nfs/dbraw/zinc/85/95/22/367859522.db2.gz MAJGZCJLSXBNNV-HNNXBMFYSA-N 0 3 299.374 2.029 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)NCCCCN1CCN(CC)CC1 ZINC000343628805 367927520 /nfs/dbraw/zinc/92/75/20/367927520.db2.gz XKIRIRWWJYCURS-KRWDZBQOSA-N 0 3 295.471 2.123 20 30 CEEDHN CC(C)C[C@H](CCO)CNCc1ccc(C#N)o1 ZINC000174130938 367987997 /nfs/dbraw/zinc/98/79/97/367987997.db2.gz RRMBICBVWKRVKJ-LBPRGKRZSA-N 0 3 250.342 2.286 20 30 CEEDHN N#Cc1ccc(CNC[C@H](CO)Cc2ccccc2)o1 ZINC000343712961 367968771 /nfs/dbraw/zinc/96/87/71/367968771.db2.gz LUVBPAQZTWLGJA-CQSZACIVSA-N 0 3 270.332 2.092 20 30 CEEDHN CN(CCNCc1ccc(C#N)o1)c1ccccc1 ZINC000174258538 368003468 /nfs/dbraw/zinc/00/34/68/368003468.db2.gz ONEBIHQASRTTGN-UHFFFAOYSA-N 0 3 255.321 2.377 20 30 CEEDHN CN(CCNCc1ccc(C#N)o1)Cc1ccccc1 ZINC000174299132 368007565 /nfs/dbraw/zinc/00/75/65/368007565.db2.gz FWGISOKKXBAPKK-UHFFFAOYSA-N 0 3 269.348 2.373 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000174379262 368016219 /nfs/dbraw/zinc/01/62/19/368016219.db2.gz MNCDLNJLCIIQQH-KGLIPLIRSA-N 0 3 298.390 2.214 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N1CCN(C)CC[C@H]1C ZINC000343812049 368016946 /nfs/dbraw/zinc/01/69/46/368016946.db2.gz KEYXMYRTTXTUJX-ZIAGYGMSSA-N 0 3 267.417 2.467 20 30 CEEDHN C#CCSCCNCc1ccc(OC)c(C#N)c1 ZINC000174421201 368020839 /nfs/dbraw/zinc/02/08/39/368020839.db2.gz ZQUYWNMJMSRAOM-UHFFFAOYSA-N 0 3 260.362 2.023 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000344105570 368108766 /nfs/dbraw/zinc/10/87/66/368108766.db2.gz JOZLWPWSYYSYIE-AVGNSLFASA-N 0 3 270.442 2.093 20 30 CEEDHN CC(C)(C)[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000344145752 368110823 /nfs/dbraw/zinc/11/08/23/368110823.db2.gz AMTXTHCOBPPTML-CQSZACIVSA-N 0 3 290.411 2.010 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](CO)c2ccccc2)o1 ZINC000175050425 368093443 /nfs/dbraw/zinc/09/34/43/368093443.db2.gz DRHPIQXTPHHEIX-ZDUSSCGKSA-N 0 3 256.305 2.017 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](C2CC2)C1 ZINC000344022887 368102526 /nfs/dbraw/zinc/10/25/26/368102526.db2.gz HHJDNVBEQXUQKM-INWMFGNUSA-N 0 3 277.412 2.161 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000345166168 368177795 /nfs/dbraw/zinc/17/77/95/368177795.db2.gz GMHJIWLXZAOZRM-SNVBAGLBSA-N 0 3 273.292 2.245 20 30 CEEDHN CC[S@@](=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)o2)C1 ZINC000175863730 368184485 /nfs/dbraw/zinc/18/44/85/368184485.db2.gz AQUZTTZBMBXUDN-GEDNVKPRSA-N 0 3 280.393 2.321 20 30 CEEDHN C[C@H]1[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)CCCN1C ZINC000345283124 368221801 /nfs/dbraw/zinc/22/18/01/368221801.db2.gz SOFNGZCBUMJNJN-IINYFYTJSA-N 0 3 290.342 2.302 20 30 CEEDHN CC(C)CN1CCO[C@H](CNCc2cc(C#N)cs2)C1 ZINC000177681441 368278893 /nfs/dbraw/zinc/27/88/93/368278893.db2.gz BCBRNKCJAHGZQX-CQSZACIVSA-N 0 3 293.436 2.066 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000181162739 368426648 /nfs/dbraw/zinc/42/66/48/368426648.db2.gz SKTJAPVRTDZVMQ-WBMJQRKESA-N 0 3 258.365 2.120 20 30 CEEDHN CC[C@@H](NCc1ccc(C#N)cc1)[C@@H](O)C(F)(F)F ZINC000345825625 368440892 /nfs/dbraw/zinc/44/08/92/368440892.db2.gz YFZIKZPYTZNEPS-VXGBXAGGSA-N 0 3 272.270 2.350 20 30 CEEDHN C[C@H](CNC(=O)Cc1ccc(C#N)cc1)N1CCCC[C@@H]1C ZINC000345882671 368467520 /nfs/dbraw/zinc/46/75/20/368467520.db2.gz XPPCFNZPOVCLNB-LSDHHAIUSA-N 0 3 299.418 2.480 20 30 CEEDHN CCNC(=O)N1CC[C@H](N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000182018735 368515400 /nfs/dbraw/zinc/51/54/00/368515400.db2.gz AUQUFNRZURSVBA-WFASDCNBSA-N 0 3 286.379 2.013 20 30 CEEDHN CCNC(=O)N1CC[C@@H](N[C@H](C)c2cccc(C#N)c2)C1 ZINC000182018792 368516293 /nfs/dbraw/zinc/51/62/93/368516293.db2.gz AUQUFNRZURSVBA-IUODEOHRSA-N 0 3 286.379 2.013 20 30 CEEDHN C=C[C@H](C)N[C@@H](C)c1ccccc1OCC(=O)OC ZINC000346546837 368712369 /nfs/dbraw/zinc/71/23/69/368712369.db2.gz AJTHGJYIPMVSKF-RYUDHWBXSA-N 0 3 263.337 2.464 20 30 CEEDHN CS[C@H]1CCCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346450864 368679899 /nfs/dbraw/zinc/67/98/99/368679899.db2.gz XKOQIYSGRTVVNY-OLZOCXBDSA-N 0 3 295.452 2.155 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](COCC)C1 ZINC000246329812 370947952 /nfs/dbraw/zinc/94/79/52/370947952.db2.gz HSMCIRVCIDMARS-CVEARBPZSA-N 0 3 294.439 2.324 20 30 CEEDHN C[C@H](CO)N1CCCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000346675780 368764383 /nfs/dbraw/zinc/76/43/83/368764383.db2.gz JJQQAYWKGDXVGI-CABCVRRESA-N 0 3 287.407 2.008 20 30 CEEDHN CN(C)c1ccncc1CNCCOc1ccc(C#N)cc1 ZINC000185207584 368767323 /nfs/dbraw/zinc/76/73/23/368767323.db2.gz XHVXUZXILDKJEJ-UHFFFAOYSA-N 0 3 296.374 2.188 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000347729837 368818362 /nfs/dbraw/zinc/81/83/62/368818362.db2.gz WWFAWUBYOOVBSF-NXEZZACHSA-N 0 3 276.340 2.454 20 30 CEEDHN C=CCOCCCN[C@H](CO)c1ccc(CC)cc1 ZINC000348029611 368864252 /nfs/dbraw/zinc/86/42/52/368864252.db2.gz GGIDDLMSEVQEDS-MRXNPFEDSA-N 0 3 263.381 2.465 20 30 CEEDHN CN(CCCC#N)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000348112538 368903062 /nfs/dbraw/zinc/90/30/62/368903062.db2.gz WQSNSWQFZPIHDJ-STQMWFEESA-N 0 3 296.415 2.291 20 30 CEEDHN C=CCOCCCN(CCO)Cc1cccc(F)c1 ZINC000348168039 368930445 /nfs/dbraw/zinc/93/04/45/368930445.db2.gz KVMFYSFMDCTUCO-UHFFFAOYSA-N 0 3 267.344 2.213 20 30 CEEDHN N#Cc1ccc(CN2CCC(Cn3cncn3)CC2)cc1 ZINC000186215084 368938878 /nfs/dbraw/zinc/93/88/78/368938878.db2.gz PLMUUNIGMFIZRZ-UHFFFAOYSA-N 0 3 281.363 2.062 20 30 CEEDHN CCO[C@H]1C[C@](CO)(NCc2ccc(C#N)s2)C1(C)C ZINC000186577380 368999251 /nfs/dbraw/zinc/99/92/51/368999251.db2.gz HAOXWZLMVDAQPT-DZGCQCFKSA-N 0 3 294.420 2.275 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc2nccnc2c1 ZINC000634983487 369014116 /nfs/dbraw/zinc/01/41/16/369014116.db2.gz PHPAEPXBNQAEMP-HIFRSBDPSA-N 0 3 255.321 2.063 20 30 CEEDHN C=CCOCC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000348442144 369047484 /nfs/dbraw/zinc/04/74/84/369047484.db2.gz VFNMXOXVXFCPDD-UHFFFAOYSA-N 0 3 292.379 2.077 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000186704607 369023652 /nfs/dbraw/zinc/02/36/52/369023652.db2.gz JBDYMABPLIMMIW-WCQYABFASA-N 0 3 263.337 2.045 20 30 CEEDHN CCS[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)N(C)CCC#N ZINC000348463320 369053500 /nfs/dbraw/zinc/05/35/00/369053500.db2.gz AJXVBKLYMNTDRN-FRRDWIJNSA-N 0 3 283.441 2.011 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000276043220 193196390 /nfs/dbraw/zinc/19/63/90/193196390.db2.gz WOQMUJPLSZRUEJ-DOMZBBRYSA-N 0 3 250.386 2.355 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1cc(C#N)cs1 ZINC000330679847 203110423 /nfs/dbraw/zinc/11/04/23/203110423.db2.gz YANWBTKEPXABFT-LBPRGKRZSA-N 0 3 277.393 2.224 20 30 CEEDHN CC(=O)NCC[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000572764417 299397311 /nfs/dbraw/zinc/39/73/11/299397311.db2.gz UPIWQXMGBBIFAI-ZDUSSCGKSA-N 0 3 291.420 2.358 20 30 CEEDHN CC[C@@H](CO)N1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000187705290 369206692 /nfs/dbraw/zinc/20/66/92/369206692.db2.gz UXGRDRGLCDIXIN-PBHICJAKSA-N 0 3 287.407 2.008 20 30 CEEDHN CN(C)C1(CN(C)C(=O)CCc2ccc(C#N)cc2)CCC1 ZINC000188022819 369277338 /nfs/dbraw/zinc/27/73/38/369277338.db2.gz IZGUKJDSJXOMKC-UHFFFAOYSA-N 0 3 299.418 2.434 20 30 CEEDHN CS[C@H]1CN(Cc2cccc(C#N)c2F)C[C@@H]1N(C)C ZINC000343675373 216871936 /nfs/dbraw/zinc/87/19/36/216871936.db2.gz SQMFELYKIZYTAY-KBPBESRZSA-N 0 3 293.411 2.175 20 30 CEEDHN COCCOc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000349814688 369407762 /nfs/dbraw/zinc/40/77/62/369407762.db2.gz VPYRUOWHBMNDLV-DZGCQCFKSA-N 0 3 274.364 2.494 20 30 CEEDHN CCc1nn(C)c(CC)c1CN[C@H]1CC[C@@H](C#N)C1 ZINC000349814256 369408368 /nfs/dbraw/zinc/40/83/68/369408368.db2.gz SFOQXTWCXQSILO-NEPJUHHUSA-N 0 3 260.385 2.327 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2ccc(N3CCCC3)nc2)C1 ZINC000349827849 369413420 /nfs/dbraw/zinc/41/34/20/369413420.db2.gz KHMBHHDKGDDXQO-DZGCQCFKSA-N 0 3 270.380 2.464 20 30 CEEDHN CC(=O)NC[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246387133 370955198 /nfs/dbraw/zinc/95/51/98/370955198.db2.gz NVIQLDZBENKEOU-CJNGLKHVSA-N 0 3 285.391 2.467 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C(=O)N(C)C)CC1 ZINC000189349683 369503475 /nfs/dbraw/zinc/50/34/75/369503475.db2.gz HLHDGYVPUGUVHR-ZDUSSCGKSA-N 0 3 285.391 2.419 20 30 CEEDHN CCn1nccc1CCN(C)Cc1ccc(C#N)cc1 ZINC000276302003 193277654 /nfs/dbraw/zinc/27/76/54/193277654.db2.gz KEOQKKNNLOMLJX-UHFFFAOYSA-N 0 3 268.364 2.449 20 30 CEEDHN C=CCCN(C)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000276452210 193336308 /nfs/dbraw/zinc/33/63/08/193336308.db2.gz PRBXMJGSRZIIDB-GFCCVEGCSA-N 0 3 281.400 2.041 20 30 CEEDHN CCCCNC(=O)C1CCN([C@H](C)CCC#N)CC1 ZINC000351472826 369637129 /nfs/dbraw/zinc/63/71/29/369637129.db2.gz QYWVFJUWGACAHY-CYBMUJFWSA-N 0 3 265.401 2.307 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000351640422 369645769 /nfs/dbraw/zinc/64/57/69/369645769.db2.gz HNFTXVYBUFTPNM-ZFWWWQNUSA-N 0 3 265.401 2.163 20 30 CEEDHN C=CCCCCNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000351622618 369645796 /nfs/dbraw/zinc/64/57/96/369645796.db2.gz WWHAGISVTIJMTE-LBPRGKRZSA-N 0 3 253.390 2.125 20 30 CEEDHN Cc1cc(CN2CC[C@H](N3CCOCC3)[C@H]2C)ccc1C#N ZINC000352027495 369662553 /nfs/dbraw/zinc/66/25/53/369662553.db2.gz LDXPYAFZLIFDSR-QAPCUYQASA-N 0 3 299.418 2.162 20 30 CEEDHN C=CCN(CCN1CCOC[C@@H]1C)Cc1ccccc1 ZINC000191396419 369709488 /nfs/dbraw/zinc/70/94/88/369709488.db2.gz YUSSFOSGBKHYIE-INIZCTEOSA-N 0 3 274.408 2.395 20 30 CEEDHN C=CCN1CCC(Nc2ccncc2C(=O)OCC)CC1 ZINC000276531901 193370038 /nfs/dbraw/zinc/37/00/38/193370038.db2.gz WBTZZQGBLJIMNM-UHFFFAOYSA-N 0 3 289.379 2.321 20 30 CEEDHN CC[C@@]1(CO)CCCN1Cc1ccc(C#N)s1 ZINC000191957811 369757289 /nfs/dbraw/zinc/75/72/89/369757289.db2.gz CHAKRXVPYVRGKY-ZDUSSCGKSA-N 0 3 250.367 2.357 20 30 CEEDHN CCN1CCN(Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000352666759 369824159 /nfs/dbraw/zinc/82/41/59/369824159.db2.gz IGZKHXGZOIJXHW-AWEZNQCLSA-N 0 3 257.381 2.393 20 30 CEEDHN C=C(CC)CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352671593 369827840 /nfs/dbraw/zinc/82/78/40/369827840.db2.gz ODOCFDHARPZFQS-WDEREUQCSA-N 0 3 251.292 2.445 20 30 CEEDHN CCN1CCN(Cc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000352673267 369829356 /nfs/dbraw/zinc/82/93/56/369829356.db2.gz NHXGITMQGCFHLF-GFCCVEGCSA-N 0 3 261.344 2.223 20 30 CEEDHN CN(CCN(C)C1CC1)Cc1ccc(C#N)c(F)c1 ZINC000192193075 369779963 /nfs/dbraw/zinc/77/99/63/369779963.db2.gz PNDCLYNZPNKTAI-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN C=C(C)CCNC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637189584 369844477 /nfs/dbraw/zinc/84/44/77/369844477.db2.gz IXAVTSSWBMNWDO-UHFFFAOYSA-N 0 3 291.399 2.238 20 30 CEEDHN C=C(CC)CNC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637206656 369851848 /nfs/dbraw/zinc/85/18/48/369851848.db2.gz URDRBWQOMOLOMI-UHFFFAOYSA-N 0 3 291.399 2.238 20 30 CEEDHN CC[C@H](CO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000352838305 369904965 /nfs/dbraw/zinc/90/49/65/369904965.db2.gz MCENFDVHVROSGN-LLVKDONJSA-N 0 3 272.270 2.438 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000193352895 369931745 /nfs/dbraw/zinc/93/17/45/369931745.db2.gz YGMNCVVQQRFXNA-BLLLJJGKSA-N 0 3 288.391 2.427 20 30 CEEDHN C[C@H]1C[C@@H](CCNCc2nc(C#N)cs2)CCO1 ZINC000352907990 369943872 /nfs/dbraw/zinc/94/38/72/369943872.db2.gz WPKJULUBXRAHOG-QWRGUYRKSA-N 0 3 265.382 2.310 20 30 CEEDHN Cn1cc(CNCC2(C(F)(F)F)CC2)cc1C#N ZINC000353050461 370001298 /nfs/dbraw/zinc/00/12/98/370001298.db2.gz VNLDGGXOLVPJCN-UHFFFAOYSA-N 0 3 257.259 2.329 20 30 CEEDHN N#Cc1csc(CN[C@H](CO)C2CCCC2)c1 ZINC000353078414 370009824 /nfs/dbraw/zinc/00/98/24/370009824.db2.gz HEUYUQJQILCNSN-CYBMUJFWSA-N 0 3 250.367 2.260 20 30 CEEDHN N#Cc1cccc(OCCN2CC[C@@H](COC(F)F)C2)c1 ZINC000353020413 369985516 /nfs/dbraw/zinc/98/55/16/369985516.db2.gz APGYOOJWNKZNDJ-CYBMUJFWSA-N 0 3 296.317 2.498 20 30 CEEDHN CC(C)[C@@H]1CCN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000353032456 369992816 /nfs/dbraw/zinc/99/28/16/369992816.db2.gz WOJJDPFTGAHYHN-HOCLYGCPSA-N 0 3 274.364 2.028 20 30 CEEDHN CC[C@@H](C)NC(=O)CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353248530 370094025 /nfs/dbraw/zinc/09/40/25/370094025.db2.gz BDYJQRDSFHHOMU-WBMJQRKESA-N 0 3 285.391 2.440 20 30 CEEDHN CN(C)Cc1ccc(NC(=O)c2ccnc(C#N)c2)cc1 ZINC000354103906 370217234 /nfs/dbraw/zinc/21/72/34/370217234.db2.gz JLXDENSQWUAWPO-UHFFFAOYSA-N 0 3 280.331 2.267 20 30 CEEDHN C[C@@H](CNCc1ccc(C#N)cc1F)N(C)C1CC1 ZINC000227597064 370374721 /nfs/dbraw/zinc/37/47/21/370374721.db2.gz IRKHNZNRSBEQFK-NSHDSACASA-N 0 3 261.344 2.270 20 30 CEEDHN COc1ccc(CN2CCC[C@@](C)(O)CC2)cc1C#N ZINC000230352490 370454403 /nfs/dbraw/zinc/45/44/03/370454403.db2.gz RVGUUEJAKTVYKX-MRXNPFEDSA-N 0 3 274.364 2.304 20 30 CEEDHN CC[C@@H](C)CN1CCN(c2cccc(C#N)n2)CC1 ZINC000355083716 370501358 /nfs/dbraw/zinc/50/13/58/370501358.db2.gz SYTVWBYJQADVQC-CYBMUJFWSA-N 0 3 258.369 2.121 20 30 CEEDHN C=CCCOCCNCc1ccc(C#N)c(OC)c1 ZINC000231821292 370495352 /nfs/dbraw/zinc/49/53/52/370495352.db2.gz FCZHZCUSZVZSCL-UHFFFAOYSA-N 0 3 260.337 2.249 20 30 CEEDHN C=CCOc1ccc(CN2C[C@@H](CC)[C@H](O)C2)cc1OC ZINC000355194566 370543831 /nfs/dbraw/zinc/54/38/31/370543831.db2.gz GUYKWVMZUDLCGF-HUUCEWRRSA-N 0 3 291.391 2.463 20 30 CEEDHN N#Cc1ccc(CN(CCO)[C@@H]2CCCSC2)cc1 ZINC000355492743 370573849 /nfs/dbraw/zinc/57/38/49/370573849.db2.gz HZRNFJPHWXXBOE-OAHLLOKOSA-N 0 3 276.405 2.248 20 30 CEEDHN C=C(CC)CN(C)C[C@H](O)COCc1ccccc1 ZINC000358509111 371096901 /nfs/dbraw/zinc/09/69/01/371096901.db2.gz NFIKNQLYJYLLQY-INIZCTEOSA-N 0 3 263.381 2.462 20 30 CEEDHN C=CC[C@@H]1CCCN(Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000639311659 371216994 /nfs/dbraw/zinc/21/69/94/371216994.db2.gz UPFYDYXNCJUKIQ-CYBMUJFWSA-N 0 3 294.420 2.122 20 30 CEEDHN O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2CC#Cc1cccc(Cl)c1 ZINC000249401895 371318888 /nfs/dbraw/zinc/31/88/88/371318888.db2.gz CFNXCJJHHAAMAA-GMBUGEKQSA-N 0 3 287.790 2.393 20 30 CEEDHN C[C@H](C(=O)NCc1cccc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000249918314 371370067 /nfs/dbraw/zinc/37/00/67/371370067.db2.gz XZTAJLXDIWOCMU-HZSPNIEDSA-N 0 3 285.391 2.436 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000359993035 371497212 /nfs/dbraw/zinc/49/72/12/371497212.db2.gz JLVHSSRYRHBTJQ-IHRRRGAJSA-N 0 3 278.396 2.245 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN([C@H](C)C1CC1)C1CC1 ZINC000255516310 371593747 /nfs/dbraw/zinc/59/37/47/371593747.db2.gz DHYZBCFYQDRJDG-CHWSQXEVSA-N 0 3 277.412 2.257 20 30 CEEDHN CCN(Cc1cnc2ccc(C#N)cn12)C[C@H](C)OC ZINC000361011073 371598334 /nfs/dbraw/zinc/59/83/34/371598334.db2.gz RTTOLQWLEDXIQY-LBPRGKRZSA-N 0 3 272.352 2.063 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCC2(CCSCC2)CC1 ZINC000639979154 371707929 /nfs/dbraw/zinc/70/79/29/371707929.db2.gz GDRYDSGJLKWNLW-CYBMUJFWSA-N 0 3 282.453 2.286 20 30 CEEDHN N#Cc1ccc(CN(CCN2CCCOCC2)C2CC2)cc1 ZINC000361291169 371762756 /nfs/dbraw/zinc/76/27/56/371762756.db2.gz VTWOMUIYMHWYTQ-UHFFFAOYSA-N 0 3 299.418 2.245 20 30 CEEDHN CC[C@H](CNC(=O)C(C)C#N)Oc1ccccc1F ZINC000361298704 371766648 /nfs/dbraw/zinc/76/66/48/371766648.db2.gz FTJKGTIXRRVKDQ-WDEREUQCSA-N 0 3 264.300 2.259 20 30 CEEDHN C=CCCC[C@H](C)N1CCN(CCc2cnccn2)CC1 ZINC000640100040 371811990 /nfs/dbraw/zinc/81/19/90/371811990.db2.gz UASGXTUGDQTRIV-INIZCTEOSA-N 0 3 288.439 2.382 20 30 CEEDHN CN(C)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cn1 ZINC000361460019 371857742 /nfs/dbraw/zinc/85/77/42/371857742.db2.gz PRRMFFDRMSJASV-JSGCOSHPSA-N 0 3 258.369 2.320 20 30 CEEDHN CCN(C[C@@H](C)OC)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000361569372 371932410 /nfs/dbraw/zinc/93/24/10/371932410.db2.gz SQBVPYSOVJZKNJ-ZIAGYGMSSA-N 0 3 295.427 2.074 20 30 CEEDHN CN(CCc1ccccc1O)Cc1cc(C#N)n(C)c1 ZINC000361600276 371967137 /nfs/dbraw/zinc/96/71/37/371967137.db2.gz FZZIVVXFIRWUTE-UHFFFAOYSA-N 0 3 269.348 2.277 20 30 CEEDHN CC#CCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000361635925 371992999 /nfs/dbraw/zinc/99/29/99/371992999.db2.gz GIHRQXOQPMVKCO-QGZVFWFLSA-N 0 3 299.418 2.316 20 30 CEEDHN CN(C)CCN(C(=O)CCCC#N)C1CCCCC1 ZINC000361716539 372036541 /nfs/dbraw/zinc/03/65/41/372036541.db2.gz IUIMFGYZMHLUOT-UHFFFAOYSA-N 0 3 265.401 2.403 20 30 CEEDHN CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000361756361 372057677 /nfs/dbraw/zinc/05/76/77/372057677.db2.gz UIWDJCXQUAJCIT-HUUCEWRRSA-N 0 3 287.363 2.044 20 30 CEEDHN Cc1nc([C@@H]2CCCN(Cc3ccccc3C#N)C2)n[nH]1 ZINC000268463788 372109098 /nfs/dbraw/zinc/10/90/98/372109098.db2.gz LGJKUMJJGFSJGB-OAHLLOKOSA-N 0 3 281.363 2.364 20 30 CEEDHN Cc1n[nH]c([C@@H]2CCCN(Cc3ccccc3C#N)C2)n1 ZINC000268463788 372109102 /nfs/dbraw/zinc/10/91/02/372109102.db2.gz LGJKUMJJGFSJGB-OAHLLOKOSA-N 0 3 281.363 2.364 20 30 CEEDHN Cc1nnc([C@@H]2CCCN(Cc3ccccc3C#N)C2)[nH]1 ZINC000268463788 372109107 /nfs/dbraw/zinc/10/91/07/372109107.db2.gz LGJKUMJJGFSJGB-OAHLLOKOSA-N 0 3 281.363 2.364 20 30 CEEDHN C#CCCOc1ccc(CN[C@H](C)CC[S@@](C)=O)cc1 ZINC000268461751 372109778 /nfs/dbraw/zinc/10/97/78/372109778.db2.gz ZLYIERJNFHETGO-JLTOFOAXSA-N 0 3 293.432 2.335 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000268656520 372170559 /nfs/dbraw/zinc/17/05/59/372170559.db2.gz LBBJRLJSLSVJQH-JKSUJKDBSA-N 0 3 296.374 2.194 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(c2ccccc2C)CC1 ZINC000268670593 372175392 /nfs/dbraw/zinc/17/53/92/372175392.db2.gz UGPUTHXOBVEIOP-INIZCTEOSA-N 0 3 274.408 2.444 20 30 CEEDHN COCCOC[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000344314304 217145791 /nfs/dbraw/zinc/14/57/91/217145791.db2.gz ZIIQKISITJKPRZ-QWHCGFSZSA-N 0 3 262.353 2.260 20 30 CEEDHN C[C@@H](CNCc1ccc(C#N)cc1F)C[C@H](C)O ZINC000269414225 372443708 /nfs/dbraw/zinc/44/37/08/372443708.db2.gz JYYOMSJMOYMMQF-MNOVXSKESA-N 0 3 250.317 2.194 20 30 CEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(C#N)s1 ZINC000362921675 372573351 /nfs/dbraw/zinc/57/33/51/372573351.db2.gz HWJRNOLDQTYNTN-NWDGAFQWSA-N 0 3 291.420 2.470 20 30 CEEDHN N#Cc1cccc(CN[C@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000269918969 372598492 /nfs/dbraw/zinc/59/84/92/372598492.db2.gz KGBUYUPAPMDSGF-ROUUACIJSA-N 0 3 296.370 2.132 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(C)(C)COC)C(C)C ZINC000270020303 372637513 /nfs/dbraw/zinc/63/75/13/372637513.db2.gz DHRURLVVEONVDW-HNNXBMFYSA-N 0 3 296.455 2.474 20 30 CEEDHN CC#CC[C@H](CO)NCc1cccc(OCCC)c1 ZINC000641768942 372710312 /nfs/dbraw/zinc/71/03/12/372710312.db2.gz MEZQUDFCJKVIPT-OAHLLOKOSA-N 0 3 261.365 2.339 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc2ncccc2c1 ZINC000641769251 372710379 /nfs/dbraw/zinc/71/03/79/372710379.db2.gz REUBKNMSDJWZRP-HNNXBMFYSA-N 0 3 254.333 2.099 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc(OCC(F)F)cc1 ZINC000641769298 372711011 /nfs/dbraw/zinc/71/10/11/372711011.db2.gz SAIGAXDZVPSMOL-ZDUSSCGKSA-N 0 3 283.318 2.194 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cccc(C#N)c1 ZINC000344640545 217258465 /nfs/dbraw/zinc/25/84/65/217258465.db2.gz IIJWERORQJBQPE-OAHLLOKOSA-N 0 3 285.391 2.408 20 30 CEEDHN C#CCN(CC)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000270805807 372960171 /nfs/dbraw/zinc/96/01/71/372960171.db2.gz VMSTVPBOTIQFMB-MRXNPFEDSA-N 0 3 270.376 2.133 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)C[C@@H]1CCC[C@H]1O ZINC000271039962 373085587 /nfs/dbraw/zinc/08/55/87/373085587.db2.gz MRUUWUMRXGQQSN-DZGCQCFKSA-N 0 3 274.364 2.160 20 30 CEEDHN C=CCCCCNC(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000368412979 373237947 /nfs/dbraw/zinc/23/79/47/373237947.db2.gz QXEOXSPREVFFKZ-KBPBESRZSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)[C@H]1NCC1(C)C ZINC000643983164 373322751 /nfs/dbraw/zinc/32/27/51/373322751.db2.gz UIEDHUSFGOCIKI-OAHLLOKOSA-N 0 3 272.392 2.242 20 30 CEEDHN C=CCOCCN[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000272482197 373508425 /nfs/dbraw/zinc/50/84/25/373508425.db2.gz BCQUYCGAMHHLCX-LBPRGKRZSA-N 0 3 274.364 2.059 20 30 CEEDHN C[C@H](O)[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000272621894 373587153 /nfs/dbraw/zinc/58/71/53/373587153.db2.gz UWCAADVOJYBGGT-GXTWGEPZSA-N 0 3 263.768 2.394 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000272589420 373564410 /nfs/dbraw/zinc/56/44/10/373564410.db2.gz XBNNBTYPGGUGRM-ZFWWWQNUSA-N 0 3 262.397 2.307 20 30 CEEDHN C[C@@H](CN1CCCCC1)Nc1nc2ccccn2c1C#N ZINC000272791053 373659729 /nfs/dbraw/zinc/65/97/29/373659729.db2.gz CIOALEXZIBMHTR-ZDUSSCGKSA-N 0 3 283.379 2.492 20 30 CEEDHN N#CCOc1ccc(CNCC2=CCCOC2)cc1 ZINC000178165098 261377595 /nfs/dbraw/zinc/37/75/95/261377595.db2.gz ZUTQTUPOWOFMOE-UHFFFAOYSA-N 0 3 258.321 2.025 20 30 CEEDHN Cc1ccnc(N[C@@H]2CN(C3CC3)C[C@@H]2C)c1C#N ZINC000273292758 373751480 /nfs/dbraw/zinc/75/14/80/373751480.db2.gz FWGBVQYCZLATTJ-SMDDNHRTSA-N 0 3 256.353 2.156 20 30 CEEDHN C=CCOCCN1CCC[C@H](c2ccnc(C)n2)C1 ZINC000645077818 373842563 /nfs/dbraw/zinc/84/25/63/373842563.db2.gz HLBFWIQAQDMSLY-AWEZNQCLSA-N 0 3 261.369 2.167 20 30 CEEDHN C=CCOCCN[C@@H](Cn1cccn1)c1ccccc1 ZINC000645095226 373847218 /nfs/dbraw/zinc/84/72/18/373847218.db2.gz FCDPJSMLWFJRJF-INIZCTEOSA-N 0 3 271.364 2.417 20 30 CEEDHN CCCN(C(=O)NCC#Cc1ccccc1)[C@H]1CCN(C)C1 ZINC000645142949 373875499 /nfs/dbraw/zinc/87/54/99/373875499.db2.gz ABPLZVAFVJEFDS-KRWDZBQOSA-N 0 3 299.418 2.164 20 30 CEEDHN CN(CCN(C)C1CC1)c1ccc(Cl)c(C#N)n1 ZINC000274476023 373935973 /nfs/dbraw/zinc/93/59/73/373935973.db2.gz NIHSPHLDXAHHCF-UHFFFAOYSA-N 0 3 264.760 2.137 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000372015815 374023552 /nfs/dbraw/zinc/02/35/52/374023552.db2.gz NUQADWAOPSUZLA-RCBQFDQVSA-N 0 3 288.366 2.189 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000645490344 374081739 /nfs/dbraw/zinc/08/17/39/374081739.db2.gz HLEPWNGEPWEEES-KGLIPLIRSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCS(=O)(=O)CCNC[C@@H](C)Cc1ccccc1 ZINC000274803275 374054098 /nfs/dbraw/zinc/05/40/98/374054098.db2.gz BEBBCNCUYORBMQ-AWEZNQCLSA-N 0 3 281.421 2.056 20 30 CEEDHN C=CCN(C)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000275107606 374155498 /nfs/dbraw/zinc/15/54/98/374155498.db2.gz BLYRRGUCPQYTCS-UHFFFAOYSA-N 0 3 271.320 2.423 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)(C)C2)CC1 ZINC000683982290 541901755 /nfs/dbraw/zinc/90/17/55/541901755.db2.gz INGXLXBAECYDTQ-UHFFFAOYSA-N 0 3 265.401 2.078 20 30 CEEDHN Cn1cc(CN(CCCO)Cc2ccccc2)cc1C#N ZINC000276776418 374298007 /nfs/dbraw/zinc/29/80/07/374298007.db2.gz PUNOIXZCRPRZHA-UHFFFAOYSA-N 0 3 283.375 2.281 20 30 CEEDHN C#CCOc1ccccc1CNCC(C)(C)COC ZINC000276882994 374335186 /nfs/dbraw/zinc/33/51/86/374335186.db2.gz DYCWGZCPEQWEOJ-UHFFFAOYSA-N 0 3 261.365 2.461 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374396081 374562312 /nfs/dbraw/zinc/56/23/12/374562312.db2.gz WYFLEPJVLYYWPC-HRCADAONSA-N 0 3 294.439 2.158 20 30 CEEDHN C=CCC[C@H](O)CN1CC[C@H](OCc2c(C)noc2C)C1 ZINC000375171296 374644235 /nfs/dbraw/zinc/64/42/35/374644235.db2.gz NYMDCAXYTKMJRX-GJZGRUSLSA-N 0 3 294.395 2.209 20 30 CEEDHN C#CCN[C@@H](c1ccc(OC)cc1)C1CCOCC1 ZINC000374979890 374638314 /nfs/dbraw/zinc/63/83/14/374638314.db2.gz MZANLWQGLZAYQQ-INIZCTEOSA-N 0 3 259.349 2.386 20 30 CEEDHN CC#CCN(C[C@H](O)COc1ccccc1)C(C)C ZINC000277848680 374665369 /nfs/dbraw/zinc/66/53/69/374665369.db2.gz SOCNWBUCNQXGNK-HNNXBMFYSA-N 0 3 261.365 2.160 20 30 CEEDHN C[C@@H](N[C@H]1CCN(c2ccn(C)n2)C1)c1cccc(C#N)c1 ZINC000378480223 375110446 /nfs/dbraw/zinc/11/04/46/375110446.db2.gz YQRGBTMOVTZOCN-CJNGLKHVSA-N 0 3 295.390 2.221 20 30 CEEDHN CO[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000378639267 375143309 /nfs/dbraw/zinc/14/33/09/375143309.db2.gz TYFWUHHFLWWQFQ-OAHLLOKOSA-N 0 3 284.363 2.207 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccnn1-c1ccccc1C ZINC000684395916 541994001 /nfs/dbraw/zinc/99/40/01/541994001.db2.gz JHCDYKSMXKLLFC-AWEZNQCLSA-N 0 3 271.364 2.207 20 30 CEEDHN C=CCNC(=O)[C@H](C)N(C)CCCOCc1ccccc1 ZINC000281574240 375388842 /nfs/dbraw/zinc/38/88/42/375388842.db2.gz ZGAHVLYAXICDNR-HNNXBMFYSA-N 0 3 290.407 2.216 20 30 CEEDHN C=C(C)CN1CCC(NCc2ncc(Cl)n2C)CC1 ZINC000281606057 375389847 /nfs/dbraw/zinc/38/98/47/375389847.db2.gz GETIGETZIVYIRZ-UHFFFAOYSA-N 0 3 282.819 2.204 20 30 CEEDHN CN(C)C1(CNc2c(C#N)cnc3ccccc32)CC1 ZINC000397998557 375346243 /nfs/dbraw/zinc/34/62/43/375346243.db2.gz RKVMAIQNZXDJBC-UHFFFAOYSA-N 0 3 266.348 2.034 20 30 CEEDHN CC(C)C(=O)NC[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000408381303 375465407 /nfs/dbraw/zinc/46/54/07/375465407.db2.gz JIZFGFYWAXCMDZ-ILXRZTDVSA-N 0 3 277.412 2.163 20 30 CEEDHN C=C(C)CN1CCC(N[C@H](C)c2ccn(C)n2)CC1 ZINC000414114272 375796176 /nfs/dbraw/zinc/79/61/76/375796176.db2.gz LKZZFLGNEAFDHZ-CYBMUJFWSA-N 0 3 262.401 2.111 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc2n(n1)CCC2 ZINC000414123902 375797904 /nfs/dbraw/zinc/79/79/04/375797904.db2.gz BSWLNQIIRGFTDE-ZENOOKHLSA-N 0 3 275.396 2.461 20 30 CEEDHN Cn1cc(CN2CCC[C@@H]2[C@H]2CCCO2)cc1C#N ZINC000285039113 375833603 /nfs/dbraw/zinc/83/36/03/375833603.db2.gz KTFULPMQAHQTOE-HUUCEWRRSA-N 0 3 259.353 2.040 20 30 CEEDHN CCN1CCN(Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000286673170 376031489 /nfs/dbraw/zinc/03/14/89/376031489.db2.gz VFAXJCUPJNTDGA-GFCCVEGCSA-N 0 3 261.344 2.223 20 30 CEEDHN N#CCCCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418001509 376228014 /nfs/dbraw/zinc/22/80/14/376228014.db2.gz KTSUXAOZECHJMT-INIZCTEOSA-N 0 3 296.374 2.443 20 30 CEEDHN C=C(C)CCNC(=O)NCc1ccc2c(c1)CNC2 ZINC000418238341 376244918 /nfs/dbraw/zinc/24/49/18/376244918.db2.gz FOESDYIUPNBNNR-UHFFFAOYSA-N 0 3 259.353 2.055 20 30 CEEDHN C=C(CC)CNC(=O)NCc1ccc2c(c1)CNC2 ZINC000418256196 376246326 /nfs/dbraw/zinc/24/63/26/376246326.db2.gz COLGPVYBPDGKIO-UHFFFAOYSA-N 0 3 259.353 2.055 20 30 CEEDHN C[C@@H](NCCn1cnc(C#N)n1)c1cc2ccccc2o1 ZINC000287583097 376266789 /nfs/dbraw/zinc/26/67/89/376266789.db2.gz RCZPEASPUGPWHF-LLVKDONJSA-N 0 3 281.319 2.247 20 30 CEEDHN C[C@@H]1CN(CCO)[C@@H](C)CN1CCC1(C#N)CCCCC1 ZINC000419339252 376446429 /nfs/dbraw/zinc/44/64/29/376446429.db2.gz LUFNLIBUULMPNI-CVEARBPZSA-N 0 3 293.455 2.237 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCCCOC ZINC000419384354 376450139 /nfs/dbraw/zinc/45/01/39/376450139.db2.gz MAQIDDNDLGRQMS-AWEZNQCLSA-N 0 3 270.417 2.158 20 30 CEEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)Nc1nccnc1C#N ZINC000263802135 190079748 /nfs/dbraw/zinc/07/97/48/190079748.db2.gz LPHKZEPKDWBZAX-FRRDWIJNSA-N 0 3 273.384 2.127 20 30 CEEDHN C[C@H](NCC1(CO)CCOCC1)c1ccc(C#N)cc1F ZINC000305828714 376510239 /nfs/dbraw/zinc/51/02/39/376510239.db2.gz SFWWIOSPVUNYJP-LBPRGKRZSA-N 0 3 292.354 2.137 20 30 CEEDHN C[C@H](CCO)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305840821 376516522 /nfs/dbraw/zinc/51/65/22/376516522.db2.gz ZAOVWOCIDRJZAH-GHMZBOCLSA-N 0 3 250.317 2.366 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc(N2CCCCC2)cc1 ZINC000290011053 376600590 /nfs/dbraw/zinc/60/05/90/376600590.db2.gz YWTMXPNTHOPGNL-HNNXBMFYSA-N 0 3 260.381 2.313 20 30 CEEDHN C=C(C)CN1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000264506519 190114677 /nfs/dbraw/zinc/11/46/77/190114677.db2.gz RWQGDVKYSSSZLX-UHFFFAOYSA-N 0 3 276.340 2.442 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)[C@H]1CCCN1C ZINC000264628581 190124411 /nfs/dbraw/zinc/12/44/11/190124411.db2.gz NKJRFLHQDBSGNM-MRXNPFEDSA-N 0 3 272.392 2.338 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@H](C2CCCC2)C1 ZINC000420957459 376747966 /nfs/dbraw/zinc/74/79/66/376747966.db2.gz ALMXPTXFYKRSEU-TZMCWYRMSA-N 0 3 250.386 2.189 20 30 CEEDHN CN(CCCn1ccnc1)Cc1ccc(C#N)s1 ZINC000290427330 376775213 /nfs/dbraw/zinc/77/52/13/376775213.db2.gz LCTNLIVTOXTRDE-UHFFFAOYSA-N 0 3 260.366 2.338 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)/C=C/CN(C)C ZINC000264661979 190126392 /nfs/dbraw/zinc/12/63/92/190126392.db2.gz VYIZGYSSAOVXEZ-DHZHZOJOSA-N 0 3 258.365 2.319 20 30 CEEDHN C=CCNC(=O)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000685054758 542114382 /nfs/dbraw/zinc/11/43/82/542114382.db2.gz PVKIUTHJDIDXOE-PHIMTYICSA-N 0 3 278.318 2.342 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCCc1ccccc1 ZINC000328321233 376848541 /nfs/dbraw/zinc/84/85/41/376848541.db2.gz ZDYDYEYTHSZUJA-UHFFFAOYSA-N 0 3 272.392 2.081 20 30 CEEDHN CN1CC[C@@H](CNC(=O)[C@@H]2CCCO2)[C@@H]1c1cccnc1 ZINC000328631049 376866305 /nfs/dbraw/zinc/86/63/05/376866305.db2.gz QMPOHROSZDRIIA-KKUMJFAQSA-N 0 3 289.379 2.210 20 30 CEEDHN CCN1CCC(NC(=O)[C@@H]2C[C@H](C)CC(=O)N2)CC1 ZINC000328722283 376885504 /nfs/dbraw/zinc/88/55/04/376885504.db2.gz XLPBUMGKOFLDIR-JQWIXIFHSA-N 0 3 267.373 2.182 20 30 CEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N[C@H]1CCCc2occc21 ZINC000329321320 376943789 /nfs/dbraw/zinc/94/37/89/376943789.db2.gz UKAWLVJTVLEAGS-RISCZKNCSA-N 0 3 289.379 2.397 20 30 CEEDHN C#CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000290969082 377006786 /nfs/dbraw/zinc/00/67/86/377006786.db2.gz IJZXXSOQSXMKLD-RDJZCZTQSA-N 0 3 299.418 2.172 20 30 CEEDHN CC#CCN[C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291181797 377108342 /nfs/dbraw/zinc/10/83/42/377108342.db2.gz HZVDXVHWVQUZIK-CYBMUJFWSA-N 0 3 271.364 2.280 20 30 CEEDHN C[C@H](CCO)C1(CNC[C@H](C#N)CCC#N)CCC1 ZINC000563138774 377104655 /nfs/dbraw/zinc/10/46/55/377104655.db2.gz RMDOKQVDZPADNK-KGLIPLIRSA-N 0 3 263.385 2.208 20 30 CEEDHN CC1(C)CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000330469186 377148929 /nfs/dbraw/zinc/14/89/29/377148929.db2.gz ZAVNJYMQYMYTCE-UHFFFAOYSA-N 0 3 285.391 2.296 20 30 CEEDHN N#Cc1cccc(CN2CC[C@@H](n3cccn3)C2)c1 ZINC000291272550 377152281 /nfs/dbraw/zinc/15/22/81/377152281.db2.gz NZCFZPMFQWHRFT-OAHLLOKOSA-N 0 3 252.321 2.202 20 30 CEEDHN N#Cc1cc(F)ccc1CN[C@@H]1CCC[C@H]1CCO ZINC000330547881 377180608 /nfs/dbraw/zinc/18/06/08/377180608.db2.gz ATRYNZOELQXAMC-XHDPSFHLSA-N 0 3 262.328 2.338 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(C#N)cc1 ZINC000264804123 190135538 /nfs/dbraw/zinc/13/55/38/190135538.db2.gz ZHHXUTWAVWCOKM-HNNXBMFYSA-N 0 3 271.364 2.162 20 30 CEEDHN CC[C@@H]1C[C@H](C)CN1CC(=O)NCc1ccc(C#N)cc1 ZINC000330962598 377215341 /nfs/dbraw/zinc/21/53/41/377215341.db2.gz YQIGXKZJCYFGMW-XJKSGUPXSA-N 0 3 285.391 2.295 20 30 CEEDHN C#Cc1ccccc1CC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000292629747 377258390 /nfs/dbraw/zinc/25/83/90/377258390.db2.gz VEZOYUFVBZJFSP-QZTJIDSGSA-N 0 3 296.414 2.153 20 30 CEEDHN CC[C@H]1C[C@@H](C)CN1CC(=O)NCc1cccc(C#N)c1 ZINC000330943105 377206794 /nfs/dbraw/zinc/20/67/94/377206794.db2.gz HDOPBRMCQHHGJH-CJNGLKHVSA-N 0 3 285.391 2.295 20 30 CEEDHN C=CCOCCN1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000292823858 377298437 /nfs/dbraw/zinc/29/84/37/377298437.db2.gz OEMGNJMUKAQOHB-UONOGXRCSA-N 0 3 265.353 2.370 20 30 CEEDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CCOc1ccccc1C#N ZINC000331303463 377366898 /nfs/dbraw/zinc/36/68/98/377366898.db2.gz XURFKCCPQUMSBN-FMKPAKJESA-N 0 3 288.391 2.418 20 30 CEEDHN CC[C@H](NCc1ccc(C#N)cc1F)C(C)(C)O ZINC000292964260 377372186 /nfs/dbraw/zinc/37/21/86/377372186.db2.gz JUDVHSLQHGKLKT-ZDUSSCGKSA-N 0 3 250.317 2.336 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@@H](F)C2)CC1 ZINC000564652690 377424532 /nfs/dbraw/zinc/42/45/32/377424532.db2.gz HRRNIGNWAZEQLQ-OCCSQVGLSA-N 0 3 283.391 2.217 20 30 CEEDHN C=CCOc1cccc(CN(CCOC)[C@H]2CCOC2)c1 ZINC000426529459 377415652 /nfs/dbraw/zinc/41/56/52/377415652.db2.gz KOGWMZNDGUXTPE-INIZCTEOSA-N 0 3 291.391 2.489 20 30 CEEDHN C=CCN(C)Cc1ccc(OCCOC)c(OC)c1 ZINC000428388265 377493791 /nfs/dbraw/zinc/49/37/91/377493791.db2.gz ZWHCTIHMHIBOGL-UHFFFAOYSA-N 0 3 265.353 2.338 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1nnc(-c2ccco2)o1 ZINC000429715360 377518594 /nfs/dbraw/zinc/51/85/94/377518594.db2.gz NMGKBPCPLVFIIT-UHFFFAOYSA-N 0 3 290.367 2.269 20 30 CEEDHN C=CCOCCCN1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000430262529 377528990 /nfs/dbraw/zinc/52/89/90/377528990.db2.gz WECCQEXZMXYECN-PMPSAXMXSA-N 0 3 283.412 2.238 20 30 CEEDHN COC(=O)[C@@H](C)CN(C)[C@H](C)c1ccc(C#N)cc1 ZINC000265528911 190188139 /nfs/dbraw/zinc/18/81/39/190188139.db2.gz PKCQSOVNUIDDQZ-NWDGAFQWSA-N 0 3 260.337 2.360 20 30 CEEDHN C=CCn1cc(CN[C@@H]2CCC[C@H]([C@H]3CCOC3)C2)nn1 ZINC000566095063 377724738 /nfs/dbraw/zinc/72/47/38/377724738.db2.gz BNPRNRUIZQLGJA-SOUVJXGZSA-N 0 3 290.411 2.149 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000433130714 377779055 /nfs/dbraw/zinc/77/90/55/377779055.db2.gz SJXNIRCPOZOILF-HUUCEWRRSA-N 0 3 272.348 2.054 20 30 CEEDHN COC[C@@H](NCc1ccc(C#N)c(C)c1)[C@@H]1CCCO1 ZINC000433209854 377781670 /nfs/dbraw/zinc/78/16/70/377781670.db2.gz SXZCQOGNQDMLQX-CVEARBPZSA-N 0 3 274.364 2.150 20 30 CEEDHN CN(Cc1cnn(C)c1)C(=O)C(C#N)CCc1ccccc1 ZINC000433230137 377782224 /nfs/dbraw/zinc/78/22/24/377782224.db2.gz TXPIAPWAAYUSRB-INIZCTEOSA-N 0 3 296.374 2.151 20 30 CEEDHN N#CCSCCCN1CCOC[C@H]1C1CCC1 ZINC000567266355 377815589 /nfs/dbraw/zinc/81/55/89/377815589.db2.gz YBGPHOQFISIXLZ-ZDUSSCGKSA-N 0 3 254.399 2.134 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)c1ccn(C)n1 ZINC000436308332 377822997 /nfs/dbraw/zinc/82/29/97/377822997.db2.gz MLQRQALNZADQOK-NFAWXSAZSA-N 0 3 263.385 2.442 20 30 CEEDHN CC(C)C[C@H](CO)NC(=O)C(C#N)CCc1ccccc1 ZINC000433378082 377791844 /nfs/dbraw/zinc/79/18/44/377791844.db2.gz YPENUKRHACEHCC-HZPDHXFCSA-N 0 3 288.391 2.282 20 30 CEEDHN CN(C[C@H]1CCOC1)C(=O)C(C#N)CCc1ccccc1 ZINC000433360649 377792343 /nfs/dbraw/zinc/79/23/43/377792343.db2.gz FFVCRTKPRPFDQI-HZPDHXFCSA-N 0 3 286.375 2.254 20 30 CEEDHN CC[C@](C)(O)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433380388 377792359 /nfs/dbraw/zinc/79/23/59/377792359.db2.gz BHPHHHLUGBOWCW-HOCLYGCPSA-N 0 3 274.364 2.036 20 30 CEEDHN N#Cc1csc(CNC[C@H]2CCOC3(CCC3)C2)n1 ZINC000567558065 377839140 /nfs/dbraw/zinc/83/91/40/377839140.db2.gz JPNILTCZVOILBS-NSHDSACASA-N 0 3 277.393 2.454 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(C)n(C(C)C)c1C ZINC000294040245 377882410 /nfs/dbraw/zinc/88/24/10/377882410.db2.gz SKLGLCJSXSOLJC-UHFFFAOYSA-N 0 3 289.423 2.371 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H](OCCOC)C2)cc1 ZINC000438546981 377908197 /nfs/dbraw/zinc/90/81/97/377908197.db2.gz POXMJGQZFFBIPG-QGZVFWFLSA-N 0 3 291.391 2.489 20 30 CEEDHN COC[C@@]1(C)CCN(CCOc2ccc(C#N)cc2)C1 ZINC000294135743 377915884 /nfs/dbraw/zinc/91/58/84/377915884.db2.gz FXFHAKZYBWKERD-INIZCTEOSA-N 0 3 274.364 2.295 20 30 CEEDHN CCNC(=O)c1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442786826 377993461 /nfs/dbraw/zinc/99/34/61/377993461.db2.gz UQYPIVYDABRGFP-SWLSCSKDSA-N 0 3 271.364 2.218 20 30 CEEDHN C#CCNC(=O)CCNC(C)(C)c1ccc(CC)cc1 ZINC000294763475 378018321 /nfs/dbraw/zinc/01/83/21/378018321.db2.gz YOBXCZNIFSRBCZ-UHFFFAOYSA-N 0 3 272.392 2.213 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@H](CO)Cc2ccc(F)cc2)C1 ZINC000442820754 378004819 /nfs/dbraw/zinc/00/48/19/378004819.db2.gz AHBPXUUPPKFJNP-YUELXQCFSA-N 0 3 262.328 2.011 20 30 CEEDHN CN(CCC#N)C[C@@H](O)CNCc1ccc2ccccc2c1 ZINC000574684908 335039304 /nfs/dbraw/zinc/03/93/04/335039304.db2.gz UAHCNODKVXPHQI-SFHVURJKSA-N 0 3 297.402 2.136 20 30 CEEDHN C#CCN(C)CCC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000295105033 378041977 /nfs/dbraw/zinc/04/19/77/378041977.db2.gz WNXFEYXLLOOFAX-HNNXBMFYSA-N 0 3 260.381 2.388 20 30 CEEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)co1 ZINC000444453041 378076228 /nfs/dbraw/zinc/07/62/28/378076228.db2.gz FPDPCFHXRRUZFR-GFCCVEGCSA-N 0 3 255.277 2.485 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)NCCCCC#N)C1 ZINC000445031840 378081897 /nfs/dbraw/zinc/08/18/97/378081897.db2.gz KOCZFHGJMXVVGK-UHFFFAOYSA-N 0 3 280.416 2.101 20 30 CEEDHN CN(C)[C@H](CNc1nccc(C#N)n1)c1ccc(F)cc1 ZINC000295575993 378219210 /nfs/dbraw/zinc/21/92/10/378219210.db2.gz RPWXAMQBKWIIQN-CQSZACIVSA-N 0 3 285.326 2.202 20 30 CEEDHN C=CCOc1ccc(CN(CCO)[C@@H]2CCO[C@H]2C)cc1 ZINC000449680667 378219824 /nfs/dbraw/zinc/21/98/24/378219824.db2.gz UUDMFMSMUAFBMK-WMLDXEAASA-N 0 3 291.391 2.223 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1nnc(C2CCC2)n1C ZINC000448509810 378171338 /nfs/dbraw/zinc/17/13/38/378171338.db2.gz IPMIOQDLANBKIL-UHFFFAOYSA-N 0 3 291.443 2.022 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@](CO)(COC)C2)c1 ZINC000449705968 378222108 /nfs/dbraw/zinc/22/21/08/378222108.db2.gz ZSSUSEQUDDVOFX-KRWDZBQOSA-N 0 3 291.391 2.082 20 30 CEEDHN C[C@@H](CN(C)C)Nc1ncc(Br)cc1C#N ZINC000295691152 378266417 /nfs/dbraw/zinc/26/64/17/378266417.db2.gz OJABNDWJALNAIG-QMMMGPOBSA-N 0 3 283.173 2.078 20 30 CEEDHN CCN1CCC[C@@H]1CN(C)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000450026454 378273757 /nfs/dbraw/zinc/27/37/57/378273757.db2.gz WEFGEKRQTUAWHF-RHSMWYFYSA-N 0 3 289.423 2.403 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@]1(C#N)C[C@H]1C ZINC000450429275 378411444 /nfs/dbraw/zinc/41/14/44/378411444.db2.gz ZGWKNILVVWZGQQ-CPUCHLNUSA-N 0 3 285.391 2.173 20 30 CEEDHN C[C@H]1[C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])CCCN1C ZINC000450433219 378414789 /nfs/dbraw/zinc/41/47/89/378414789.db2.gz DLPSMODADGXQOZ-JQWIXIFHSA-N 0 3 274.324 2.361 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)[C@H](C)NC1CC1 ZINC000296426087 378527072 /nfs/dbraw/zinc/52/70/72/378527072.db2.gz MWFLUFNSRZQNLA-LBPRGKRZSA-N 0 3 276.355 2.481 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](CCO)c2ccccc2)o1 ZINC000266123202 190232291 /nfs/dbraw/zinc/23/22/91/190232291.db2.gz ANAKDAVSVSQZID-CQSZACIVSA-N 0 3 270.332 2.407 20 30 CEEDHN C#C[C@@H](NCc1cc(C(=O)OCC)c(C)[nH]1)C(C)C ZINC000296702333 378623622 /nfs/dbraw/zinc/62/36/22/378623622.db2.gz IFVUNDNMNUFLKH-CQSZACIVSA-N 0 3 262.353 2.247 20 30 CEEDHN C=CCCOCCN[C@@H]1COc2ccc(OC)cc2C1 ZINC000296996368 378661455 /nfs/dbraw/zinc/66/14/55/378661455.db2.gz SPJZGEXXFPTCNS-AWEZNQCLSA-N 0 3 277.364 2.181 20 30 CEEDHN C#C[C@@H](C)NCc1ccccc1N1CCO[C@@H](C)C1 ZINC000298214668 378694456 /nfs/dbraw/zinc/69/44/56/378694456.db2.gz ZKXFWYONWIIYAB-KGLIPLIRSA-N 0 3 258.365 2.023 20 30 CEEDHN CCCCN(CC)CC(=O)NCc1ccc(C#N)cc1 ZINC000298481628 378739557 /nfs/dbraw/zinc/73/95/57/378739557.db2.gz UNOIUJLGKAYGCX-UHFFFAOYSA-N 0 3 273.380 2.296 20 30 CEEDHN CC(C)[C@H](C)N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000298494651 378744798 /nfs/dbraw/zinc/74/47/98/378744798.db2.gz YSPYGWCKSZQFOK-ZDUSSCGKSA-N 0 3 273.380 2.151 20 30 CEEDHN C#CCN(Cc1ccc(F)cc1)C(=O)C1CCN(C)CC1 ZINC000266192066 190239479 /nfs/dbraw/zinc/23/94/79/190239479.db2.gz WZIBRBVVKYXGOY-UHFFFAOYSA-N 0 3 288.366 2.129 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](CC)OC)C(C)C ZINC000299352421 378972746 /nfs/dbraw/zinc/97/27/46/378972746.db2.gz WADCWZPKYNYOBS-HUUCEWRRSA-N 0 3 282.428 2.226 20 30 CEEDHN C[C@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)N(C)C ZINC000454648338 379035310 /nfs/dbraw/zinc/03/53/10/379035310.db2.gz WHXBCFMPCQOSOF-CYBMUJFWSA-N 0 3 287.407 2.193 20 30 CEEDHN C=CCN1CC[C@H](N[C@@H](C)c2ccc3n[nH]cc3c2)C1=O ZINC000507245573 379099536 /nfs/dbraw/zinc/09/95/36/379099536.db2.gz BRTVLRSEWSSAAC-NHYWBVRUSA-N 0 3 284.363 2.000 20 30 CEEDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccccc1C#N ZINC000278830347 194174415 /nfs/dbraw/zinc/17/44/15/194174415.db2.gz JPJJBYUTFISCOX-HNNXBMFYSA-N 0 3 299.418 2.243 20 30 CEEDHN CC(C)[C@H](C#N)NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000515669449 379235697 /nfs/dbraw/zinc/23/56/97/379235697.db2.gz ZRSVAKYPGOARLW-HOTGVXAUSA-N 0 3 285.391 2.173 20 30 CEEDHN C#CCNC[C@@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000304032077 379514027 /nfs/dbraw/zinc/51/40/27/379514027.db2.gz GOAGRGXQWKRNNB-GFCCVEGCSA-N 0 3 257.255 2.136 20 30 CEEDHN C#CCN(C[C@H](O)COc1ccccc1)C1CCCC1 ZINC000304977084 379602844 /nfs/dbraw/zinc/60/28/44/379602844.db2.gz DSUDGWQLQWNKNJ-INIZCTEOSA-N 0 3 273.376 2.304 20 30 CEEDHN C[C@]1(CNCc2cnc3ccc(C#N)cn23)CCCC[C@@H]1O ZINC000304647548 379588099 /nfs/dbraw/zinc/58/80/99/379588099.db2.gz PJIZRICTYPWDTG-DOTOQJQBSA-N 0 3 298.390 2.237 20 30 CEEDHN CN(CCC1OCCCO1)Cc1ccc(C#N)cc1 ZINC000267051224 190299718 /nfs/dbraw/zinc/29/97/18/190299718.db2.gz JVTMATDZXLCLQW-UHFFFAOYSA-N 0 3 260.337 2.143 20 30 CEEDHN C=CCC[C@H](O)CN1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000305096306 379634147 /nfs/dbraw/zinc/63/41/47/379634147.db2.gz SYAQTQHWUODFAY-AWEZNQCLSA-N 0 3 298.427 2.256 20 30 CEEDHN CN(C)[C@]1(CNc2ncc(C#N)cc2Cl)CCSC1 ZINC000267037093 190298584 /nfs/dbraw/zinc/29/85/84/190298584.db2.gz CBIZSWMSUQGLJP-ZDUSSCGKSA-N 0 3 296.827 2.456 20 30 CEEDHN CC(C)(CNCc1cc(C#N)cs1)C(=O)N1CCCC1 ZINC000527814053 379824028 /nfs/dbraw/zinc/82/40/28/379824028.db2.gz ZSASPRMFGQKEPI-UHFFFAOYSA-N 0 3 291.420 2.358 20 30 CEEDHN C[C@@H]1C[C@@H](C)N(CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528385932 379955146 /nfs/dbraw/zinc/95/51/46/379955146.db2.gz FVLLZMFXXULFGJ-ZIAGYGMSSA-N 0 3 296.370 2.016 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)NCC(C)(C)CCC#N)C1 ZINC000479349278 380078242 /nfs/dbraw/zinc/07/82/42/380078242.db2.gz TUSAWKJUEGZLRK-AWEZNQCLSA-N 0 3 294.443 2.347 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)NCC(C)(C)CCC#N ZINC000479370245 380078822 /nfs/dbraw/zinc/07/88/22/380078822.db2.gz BTQWMVAJBVEDHC-AWEZNQCLSA-N 0 3 294.443 2.490 20 30 CEEDHN CC(C)[C@@H]1CN(CC#Cc2ccc(F)cc2)CCN1C ZINC000487945798 380090879 /nfs/dbraw/zinc/09/08/79/380090879.db2.gz AZIQFGLMKURWOY-KRWDZBQOSA-N 0 3 274.383 2.449 20 30 CEEDHN CC#CCCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000483423742 380081113 /nfs/dbraw/zinc/08/11/13/380081113.db2.gz UYQUCNMNHNMODE-UHFFFAOYSA-N 0 3 279.428 2.163 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000528918544 380134988 /nfs/dbraw/zinc/13/49/88/380134988.db2.gz JZDYOSVRKGSPKU-TUAOUCFPSA-N 0 3 276.361 2.085 20 30 CEEDHN N#CC1(C(=O)N2CCC[C@H](N3CCCC3)C2)CCCC1 ZINC000334166842 380246416 /nfs/dbraw/zinc/24/64/16/380246416.db2.gz AQHVOOQEIPCCHK-AWEZNQCLSA-N 0 3 275.396 2.157 20 30 CEEDHN N#CC1(c2ccc(C(=O)N[C@@H]3CCN(C4CC4)C3)cc2)CC1 ZINC000539684492 380249274 /nfs/dbraw/zinc/24/92/74/380249274.db2.gz MDPOHHCVTNFHGQ-OAHLLOKOSA-N 0 3 295.386 2.208 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)C1(C#N)CC(C)C1 ZINC000532064925 380209961 /nfs/dbraw/zinc/20/99/61/380209961.db2.gz IAEWYSQROXBQLO-BBBYJDLNSA-N 0 3 277.412 2.307 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)C1(C#N)CC(C)C1 ZINC000532064926 380209999 /nfs/dbraw/zinc/20/99/99/380209999.db2.gz IAEWYSQROXBQLO-NPCAHTBFSA-N 0 3 277.412 2.307 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC(CC#N)CC1 ZINC000543774741 380345413 /nfs/dbraw/zinc/34/54/13/380345413.db2.gz MFDJSRICNZHIOY-OAHLLOKOSA-N 0 3 292.427 2.196 20 30 CEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cscc1C#N ZINC000334558964 380591992 /nfs/dbraw/zinc/59/19/92/380591992.db2.gz NVZQZDBDOJYGCP-LLVKDONJSA-N 0 3 291.420 2.422 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000334566607 380606775 /nfs/dbraw/zinc/60/67/75/380606775.db2.gz SLMDIEDTJALHGX-OLZOCXBDSA-N 0 3 250.386 2.141 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@@H](CO)CC3CCCC3)n2c1 ZINC000551803442 380655648 /nfs/dbraw/zinc/65/56/48/380655648.db2.gz ZLOAUPIHMCYOMY-OAHLLOKOSA-N 0 3 298.390 2.237 20 30 CEEDHN C[C@@H]1[C@@H](C)N(Cc2cccc(C#N)c2F)CCN1C ZINC000334749922 207014013 /nfs/dbraw/zinc/01/40/13/207014013.db2.gz ZOMKFBVJTUIZJR-VXGBXAGGSA-N 0 3 261.344 2.222 20 30 CEEDHN CC1(C)CC[C@H]1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000554404918 380767874 /nfs/dbraw/zinc/76/78/74/380767874.db2.gz KREXNFGDBRJTAF-HUUCEWRRSA-N 0 3 283.375 2.442 20 30 CEEDHN Cc1nsc(NC[C@@H]2CCN(C3CC3)C2)c1C#N ZINC000553309729 380733273 /nfs/dbraw/zinc/73/32/73/380733273.db2.gz COWPVZJECBHNNN-JTQLQIEISA-N 0 3 262.382 2.219 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000493981397 381152046 /nfs/dbraw/zinc/15/20/46/381152046.db2.gz KVGRRLMCKORVJC-OLZOCXBDSA-N 0 3 266.385 2.245 20 30 CEEDHN CC#CCN1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494957952 381164217 /nfs/dbraw/zinc/16/42/17/381164217.db2.gz WPGCNXUPVWEGRV-CHWSQXEVSA-N 0 3 266.385 2.245 20 30 CEEDHN C[C@H](CCNC(=O)OC(C)(C)C)NC[C@@H](C#N)CCC#N ZINC000496265102 381204800 /nfs/dbraw/zinc/20/48/00/381204800.db2.gz QHADFJCLHTYXBF-CHWSQXEVSA-N 0 3 294.399 2.323 20 30 CEEDHN CN(C)C(=O)O[C@@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000496325655 381208429 /nfs/dbraw/zinc/20/84/29/381208429.db2.gz NUWZLMBVCPOPEC-CYBMUJFWSA-N 0 3 281.400 2.479 20 30 CEEDHN C#CCCN1CC[C@@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495281174 381169168 /nfs/dbraw/zinc/16/91/68/381169168.db2.gz KAYWIUJVOIGUIX-ZIAGYGMSSA-N 0 3 296.411 2.014 20 30 CEEDHN C=CCOCCN1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496727191 381226000 /nfs/dbraw/zinc/22/60/00/381226000.db2.gz KMPYOODBRINTBW-CYBMUJFWSA-N 0 3 284.400 2.130 20 30 CEEDHN CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNCC2(C#N)CC2)C1 ZINC000497010858 381238627 /nfs/dbraw/zinc/23/86/27/381238627.db2.gz LATWFSAGCPWIQQ-LRDDRELGSA-N 0 3 291.395 2.137 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(F)cc2C#N)CCN1C ZINC000334860738 207203852 /nfs/dbraw/zinc/20/38/52/207203852.db2.gz MCPREBLTFRVVAF-GXFFZTMASA-N 0 3 290.342 2.302 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1C[C@@H]1C)C(C)C ZINC000046049327 542345044 /nfs/dbraw/zinc/34/50/44/542345044.db2.gz HDVMGNXTOURKAW-KKUMJFAQSA-N 0 3 264.413 2.457 20 30 CEEDHN C[C@@H](NCCN1CC=CCC1)c1cccc(C#N)c1 ZINC000280908800 195024706 /nfs/dbraw/zinc/02/47/06/195024706.db2.gz GJAFBHZVXUELIO-CQSZACIVSA-N 0 3 255.365 2.471 20 30 CEEDHN Cc1cc(C#N)nc(NC[C@@H](c2ccccc2)N(C)C)n1 ZINC000280988013 195058659 /nfs/dbraw/zinc/05/86/59/195058659.db2.gz OBRLEEFFXORPFG-HNNXBMFYSA-N 0 3 281.363 2.372 20 30 CEEDHN COC1([C@H](C)NCC(=O)Nc2cccc(C#N)c2)CCC1 ZINC000412025659 533026872 /nfs/dbraw/zinc/02/68/72/533026872.db2.gz QKTDGNBJNHTTFX-LBPRGKRZSA-N 0 3 287.363 2.044 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](F)C2)cc1 ZINC000574818267 335050153 /nfs/dbraw/zinc/05/01/53/335050153.db2.gz PWQSLPPAWGEODO-CABCVRRESA-N 0 3 285.322 2.201 20 30 CEEDHN C[C@@H](C(=O)NCCN1CCC[C@@H](C)C1)c1cncnc1 ZINC000330308908 533099024 /nfs/dbraw/zinc/09/90/24/533099024.db2.gz TVQVOZZDRYNAIQ-CHWSQXEVSA-N 0 3 276.384 2.269 20 30 CEEDHN CCN1CCN(Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC000289264683 197279715 /nfs/dbraw/zinc/27/97/15/197279715.db2.gz FXJDUZSOJALNAI-ZDUSSCGKSA-N 0 3 273.380 2.093 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000347119406 533115191 /nfs/dbraw/zinc/11/51/91/533115191.db2.gz WXDQUUQZKCDCKH-WFASDCNBSA-N 0 3 265.316 2.447 20 30 CEEDHN C=CCOc1ccccc1C(=O)N(C)CCN(C)C1CC1 ZINC000186810124 260012241 /nfs/dbraw/zinc/01/22/41/260012241.db2.gz UXVSOQBZDPYDPX-UHFFFAOYSA-N 0 3 288.391 2.418 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@H](CO)[C@@H]1C ZINC000412068912 533493911 /nfs/dbraw/zinc/49/39/11/533493911.db2.gz FJJWOEHTBOLKBG-SWLSCSKDSA-N 0 3 274.364 2.160 20 30 CEEDHN Cc1cc([C@](C)(O)CNCc2cc(C#N)n(C)c2)c(C)o1 ZINC000191185554 130198796 /nfs/dbraw/zinc/19/87/96/130198796.db2.gz UXNKAHALKJZFEM-MRXNPFEDSA-N 0 3 287.363 2.104 20 30 CEEDHN CC(C)[C@@H](O)C(C)(C)CNCc1cc(C#N)n(C)c1 ZINC000191479204 130243220 /nfs/dbraw/zinc/24/32/20/130243220.db2.gz OCHJYRDCHVPAJB-CQSZACIVSA-N 0 3 263.385 2.029 20 30 CEEDHN CN(C)[C@H](CNc1nccnc1C#N)c1cccc(F)c1 ZINC000263930340 131363424 /nfs/dbraw/zinc/36/34/24/131363424.db2.gz WIHOWVQZJBGOGC-CQSZACIVSA-N 0 3 285.326 2.202 20 30 CEEDHN C[C@H]1CN2CCC[C@H]2CN1c1nccc(C#N)c1Cl ZINC000300265045 394454030 /nfs/dbraw/zinc/45/40/30/394454030.db2.gz HFQGXXBKKUYCCY-JQWIXIFHSA-N 0 3 276.771 2.280 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000355658615 394491743 /nfs/dbraw/zinc/49/17/43/394491743.db2.gz LQNNAVDVRMXWED-GDBMZVCRSA-N 0 3 294.439 2.348 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)c2ncc(C#N)cc2F)CCN1C ZINC000413158562 394494972 /nfs/dbraw/zinc/49/49/72/394494972.db2.gz JSHRRADCJRAKOL-PWSUYJOCSA-N 0 3 262.332 2.011 20 30 CEEDHN C=CCCC1(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000356199814 394560079 /nfs/dbraw/zinc/56/00/79/394560079.db2.gz ORHYLZQLMGFECO-STQMWFEESA-N 0 3 250.386 2.332 20 30 CEEDHN O=C(N[C@H]1CNC(=O)C1)[C@H]1CCCN1C1CCCC1 ZINC000329665866 394580092 /nfs/dbraw/zinc/58/00/92/394580092.db2.gz KQHNOWPLPCQLIU-ZYHUDNBSSA-N 0 3 265.357 2.079 20 30 CEEDHN C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000329732292 394581830 /nfs/dbraw/zinc/58/18/30/394581830.db2.gz QDDFNDNDWZSVCR-IJLUTSLNSA-N 0 3 276.384 2.349 20 30 CEEDHN C=C(Br)CN[C@]1(C)CCO[C@@H]1C1CC1 ZINC000308672533 394530858 /nfs/dbraw/zinc/53/08/58/394530858.db2.gz VLYVAKDEVCNPDV-GHMZBOCLSA-N 0 3 260.175 2.442 20 30 CEEDHN C=CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000048844278 394532903 /nfs/dbraw/zinc/53/29/03/394532903.db2.gz DNNPFGWDWBIBIY-HNNXBMFYSA-N 0 3 273.380 2.136 20 30 CEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC12CC2 ZINC000421474690 394538695 /nfs/dbraw/zinc/53/86/95/394538695.db2.gz QHUCDRNAHCINGB-INIZCTEOSA-N 0 3 297.402 2.249 20 30 CEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](C)N(C)C ZINC000413584706 394590852 /nfs/dbraw/zinc/59/08/52/394590852.db2.gz CESFEORAYPUSRA-HOCLYGCPSA-N 0 3 289.423 2.423 20 30 CEEDHN Cc1ncc(C(=O)NC[C@H]2CCCCN2C2CC2)[nH]1 ZINC000329874133 394591378 /nfs/dbraw/zinc/59/13/78/394591378.db2.gz CQHQRPVGQSTLNV-GFCCVEGCSA-N 0 3 262.357 2.040 20 30 CEEDHN CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2csc(=O)[n-]2)C1 ZINC000329952490 394597119 /nfs/dbraw/zinc/59/71/19/394597119.db2.gz NFUPCMPPDFDVAV-JTQLQIEISA-N 0 3 283.397 2.274 20 30 CEEDHN CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2csc(=O)[n-]2)C1 ZINC000329952490 394597121 /nfs/dbraw/zinc/59/71/21/394597121.db2.gz NFUPCMPPDFDVAV-JTQLQIEISA-N 0 3 283.397 2.274 20 30 CEEDHN CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000330309518 394600571 /nfs/dbraw/zinc/60/05/71/394600571.db2.gz MWDMOIKIGIJOQI-ZIAGYGMSSA-N 0 3 290.411 2.417 20 30 CEEDHN CCn1nccc1NC(=O)NCCN1CCCC[C@@H]1C ZINC000330445467 394610328 /nfs/dbraw/zinc/61/03/28/394610328.db2.gz GVMFISLJPUBIPH-LBPRGKRZSA-N 0 3 279.388 2.103 20 30 CEEDHN CCCCN1CCCC[C@@H]1CNC(=O)Nc1cc(C)on1 ZINC000330457516 394610989 /nfs/dbraw/zinc/61/09/89/394610989.db2.gz QPFNDVCJGCPINP-CYBMUJFWSA-N 0 3 294.399 2.385 20 30 CEEDHN CCn1nncc1C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000330449442 394611646 /nfs/dbraw/zinc/61/16/46/394611646.db2.gz HNZQNZXLWYHUHY-GFCCVEGCSA-N 0 3 293.415 2.113 20 30 CEEDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(CC#N)cc2)C1 ZINC000330489953 394615838 /nfs/dbraw/zinc/61/58/38/394615838.db2.gz LHTTYAUJLCLSFW-XJKSGUPXSA-N 0 3 285.391 2.211 20 30 CEEDHN CC(C)N1C(=O)N[C@@H]2CN(CC(C)(C)CCC#N)CC[C@@H]21 ZINC000330533801 394617681 /nfs/dbraw/zinc/61/76/81/394617681.db2.gz IFVREKYJLSKLKS-KGLIPLIRSA-N 0 3 292.427 2.397 20 30 CEEDHN C[C@H](CNC(=O)c1ccc[nH]c1=O)N1CCC[C@@H](C)C1 ZINC000330670412 394625428 /nfs/dbraw/zinc/62/54/28/394625428.db2.gz ZITGRIZJGZXOLR-VXGBXAGGSA-N 0 3 277.368 2.212 20 30 CEEDHN COC[C@H](NCc1ccc(C#N)s1)C1CCOCC1 ZINC000421889392 394628838 /nfs/dbraw/zinc/62/88/38/394628838.db2.gz UOIZWWDYUVROCD-AWEZNQCLSA-N 0 3 280.393 2.151 20 30 CEEDHN CN(C)Cc1ccccc1CNC(=O)C1(C#N)CCC1 ZINC000265448423 394649057 /nfs/dbraw/zinc/64/90/57/394649057.db2.gz NLBMOAWBERZWAY-UHFFFAOYSA-N 0 3 271.364 2.058 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CC1CCC1 ZINC000111298484 394738517 /nfs/dbraw/zinc/73/85/17/394738517.db2.gz UTLQIBHKWKVOQO-IUODEOHRSA-N 0 3 265.401 2.161 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000334316285 394674133 /nfs/dbraw/zinc/67/41/33/394674133.db2.gz SGQGPOUBCBIWSI-GJZGRUSLSA-N 0 3 250.386 2.143 20 30 CEEDHN CC(C#N)C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000334445710 394685722 /nfs/dbraw/zinc/68/57/22/394685722.db2.gz OTBYCZUPZOHVEL-LLVKDONJSA-N 0 3 293.317 2.163 20 30 CEEDHN N#CCSCCCN1CCc2ccccc2[C@@H]1CO ZINC000268519655 394695974 /nfs/dbraw/zinc/69/59/74/394695974.db2.gz ZQOLPJBAEAAFHJ-HNNXBMFYSA-N 0 3 276.405 2.225 20 30 CEEDHN C=CCOc1ccc(CNCCCS(=O)(=O)CC)cc1 ZINC000414542244 394746495 /nfs/dbraw/zinc/74/64/95/394746495.db2.gz KPFYFZNALMINDI-UHFFFAOYSA-N 0 3 297.420 2.166 20 30 CEEDHN N#Cc1ccc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)s1 ZINC000335241584 394751845 /nfs/dbraw/zinc/75/18/45/394751845.db2.gz TUZFVHOFDKIBCG-FZMZJTMJSA-N 0 3 289.404 2.110 20 30 CEEDHN C=CCC1(C(=O)NC[C@@]2(N(C)C)CCSC2)CCC1 ZINC000359416802 394752213 /nfs/dbraw/zinc/75/22/13/394752213.db2.gz QTSXOKJYMNYZEP-HNNXBMFYSA-N 0 3 282.453 2.286 20 30 CEEDHN CC(C#N)C(=O)N1C[C@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000359533098 394760567 /nfs/dbraw/zinc/76/05/67/394760567.db2.gz WQGJRJYIVVMBRZ-MPKXVKKWSA-N 0 3 292.766 2.034 20 30 CEEDHN CC(C)(C#N)CCN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000119889025 394772869 /nfs/dbraw/zinc/77/28/69/394772869.db2.gz ZGCOFCFVAJMJSE-ZDUSSCGKSA-N 0 3 287.411 2.344 20 30 CEEDHN C=CCCCN(C)CC(=O)NCCOc1cccc(C)c1 ZINC000121045952 394790398 /nfs/dbraw/zinc/79/03/98/394790398.db2.gz FQSGSQYGTSDACW-UHFFFAOYSA-N 0 3 290.407 2.388 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000360169683 394792267 /nfs/dbraw/zinc/79/22/67/394792267.db2.gz KERZXLLDHKFVQC-AWEZNQCLSA-N 0 3 297.402 2.428 20 30 CEEDHN CC#CCCN1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000335754609 394796200 /nfs/dbraw/zinc/79/62/00/394796200.db2.gz BRWITZMTZQMCJX-HNNXBMFYSA-N 0 3 251.370 2.060 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@]3(CCN(C)C3)C2)CCC1 ZINC000335902885 394809971 /nfs/dbraw/zinc/80/99/71/394809971.db2.gz ZSWXNIAPZFBNQF-HNNXBMFYSA-N 0 3 262.397 2.287 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000360942933 394811416 /nfs/dbraw/zinc/81/14/16/394811416.db2.gz SPTQRYBIABANAO-BMFZPTHFSA-N 0 3 294.439 2.156 20 30 CEEDHN C[C@H]1CCN(C)CCN1C(=O)CCc1ccc(C#N)cc1 ZINC000336038430 394820577 /nfs/dbraw/zinc/82/05/77/394820577.db2.gz HRKQIBZOKDHBDK-AWEZNQCLSA-N 0 3 285.391 2.043 20 30 CEEDHN C#CCC(CC#C)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000277367736 394821405 /nfs/dbraw/zinc/82/14/05/394821405.db2.gz GFSWVRNAUGUBJH-UHFFFAOYSA-N 0 3 286.419 2.126 20 30 CEEDHN CN1CCN(C[C@@H]2CCCN(c3ccc(C#N)cc3)C2)CC1 ZINC000363392835 394876694 /nfs/dbraw/zinc/87/66/94/394876694.db2.gz MCSOMQFACOZATJ-KRWDZBQOSA-N 0 3 298.434 2.022 20 30 CEEDHN Cc1cc(CN[C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)on1 ZINC000362033006 394842352 /nfs/dbraw/zinc/84/23/52/394842352.db2.gz RJKROCIXZKOPKS-MYPMTAMASA-N 0 3 275.352 2.313 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(CCOC)[C@@H]1CC[C@H](C)C1 ZINC000362159148 394846458 /nfs/dbraw/zinc/84/64/58/394846458.db2.gz UPZWJHUPCSTLBJ-JKSUJKDBSA-N 0 3 294.439 2.324 20 30 CEEDHN C=C[C@@H](C)NC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000362381570 394859056 /nfs/dbraw/zinc/85/90/56/394859056.db2.gz ZIBRDWWXYDGQSL-UPJWGTAASA-N 0 3 253.390 2.123 20 30 CEEDHN C=CCCC(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000363878408 394888345 /nfs/dbraw/zinc/88/83/45/394888345.db2.gz DVQSOCMUBCUBOR-ZDUSSCGKSA-N 0 3 274.364 2.308 20 30 CEEDHN CN1CC[C@H]2CCN(c3c(F)cc(C#N)cc3F)C[C@@H]21 ZINC000364297619 394892901 /nfs/dbraw/zinc/89/29/01/394892901.db2.gz AOLJSEAYUJBTTI-FZMZJTMJSA-N 0 3 277.318 2.367 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N(C)C[C@@H]1CCCN(C)C1)OCC ZINC000339221900 394953536 /nfs/dbraw/zinc/95/35/36/394953536.db2.gz NYSWNUKKELSHJQ-HUUCEWRRSA-N 0 3 282.428 2.158 20 30 CEEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC000366911029 394954033 /nfs/dbraw/zinc/95/40/33/394954033.db2.gz ISUQUZAXESQMCL-LSDHHAIUSA-N 0 3 259.349 2.451 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Cc2cccnc2C)CC1 ZINC000285274948 394955233 /nfs/dbraw/zinc/95/52/33/394955233.db2.gz FBOSRXIKYONNCK-UHFFFAOYSA-N 0 3 287.407 2.089 20 30 CEEDHN N#C[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)C1CC1 ZINC000338536862 394922410 /nfs/dbraw/zinc/92/24/10/394922410.db2.gz MKDUNCHFQJLCHU-MRXNPFEDSA-N 0 3 283.375 2.314 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc(C)n(C)n1 ZINC000282801337 394925037 /nfs/dbraw/zinc/92/50/37/394925037.db2.gz QTWAXKBVZSXJAI-GUTXKFCHSA-N 0 3 263.385 2.360 20 30 CEEDHN C=CCOCCN1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000338995416 394935591 /nfs/dbraw/zinc/93/55/91/394935591.db2.gz OKUADYURAXCNBD-CQSZACIVSA-N 0 3 282.428 2.063 20 30 CEEDHN CC#CC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000283733595 394937425 /nfs/dbraw/zinc/93/74/25/394937425.db2.gz FWKQXPQJAMEPBQ-MRXNPFEDSA-N 0 3 272.392 2.283 20 30 CEEDHN C=CCOCCN1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000339093813 394942194 /nfs/dbraw/zinc/94/21/94/394942194.db2.gz KCYZATNLQSBKFX-AWEZNQCLSA-N 0 3 269.385 2.243 20 30 CEEDHN Cc1cc(CN(C)CCOCCC#N)ccc1F ZINC000339128184 394944784 /nfs/dbraw/zinc/94/47/84/394944784.db2.gz AUFVWDQWVCAMRK-UHFFFAOYSA-N 0 3 250.317 2.496 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000284457916 394944954 /nfs/dbraw/zinc/94/49/54/394944954.db2.gz SYUXWCSRLVPZEQ-GXSJLCMTSA-N 0 3 270.760 2.331 20 30 CEEDHN N#CCCOCCN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000339189800 394949800 /nfs/dbraw/zinc/94/98/00/394949800.db2.gz RTDFBAAYIQDBSV-DLBZAZTESA-N 0 3 288.391 2.015 20 30 CEEDHN CC#CCCN1CCC[C@@H](CNC(=O)CCC)C1 ZINC000155358906 395027572 /nfs/dbraw/zinc/02/75/72/395027572.db2.gz MQQKSSRXRSZDSJ-AWEZNQCLSA-N 0 3 250.386 2.028 20 30 CEEDHN C=CCCCCCN1CCc2c(ncn(CC)c2=O)C1 ZINC000285968831 394993102 /nfs/dbraw/zinc/99/31/02/394993102.db2.gz DPRDEWIYVSRNGG-UHFFFAOYSA-N 0 3 275.396 2.368 20 30 CEEDHN Cc1cc(C#N)nc(NC[C@H](C)N2CCC[C@H](C)C2)n1 ZINC000286080394 395009220 /nfs/dbraw/zinc/00/92/20/395009220.db2.gz JRUJABKHFVTWHH-AAEUAGOBSA-N 0 3 273.384 2.189 20 30 CEEDHN Cc1nsc(N2C[C@@H](N3CCCC3)C[C@@H]2C)c1C#N ZINC000286237687 395017299 /nfs/dbraw/zinc/01/72/99/395017299.db2.gz FBQAAYXPTZTDEV-JQWIXIFHSA-N 0 3 276.409 2.386 20 30 CEEDHN CN(Cc1ccccc1)C1CN(c2cc(C#N)ccn2)C1 ZINC000286381874 395021671 /nfs/dbraw/zinc/02/16/71/395021671.db2.gz OJUFBBLINCQIHX-UHFFFAOYSA-N 0 3 278.359 2.274 20 30 CEEDHN Cc1cc(NC[C@@H](c2ccsc2)N(C)C)c(C#N)cn1 ZINC000425203720 395052210 /nfs/dbraw/zinc/05/22/10/395052210.db2.gz FSBSGJLLROAIJB-HNNXBMFYSA-N 0 3 286.404 2.460 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)CN(C)C ZINC000288052048 395053156 /nfs/dbraw/zinc/05/31/56/395053156.db2.gz PEXAXDIRKSDHBV-HNNXBMFYSA-N 0 3 289.423 2.377 20 30 CEEDHN C(#Cc1ccccc1)CN1CCC[C@@H](c2nc[nH]n2)C1 ZINC000373812276 395066114 /nfs/dbraw/zinc/06/61/14/395066114.db2.gz LEKPENDBWYLPKS-OAHLLOKOSA-N 0 3 266.348 2.036 20 30 CEEDHN C[C@@H]1CN(CCCCC#N)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373968595 395069276 /nfs/dbraw/zinc/06/92/76/395069276.db2.gz LSWDJNDSIAQHEW-KFWWJZLASA-N 0 3 266.385 2.339 20 30 CEEDHN CC#CCCN1CCC(O)(Cc2ccccc2OC)CC1 ZINC000374030341 395070010 /nfs/dbraw/zinc/07/00/10/395070010.db2.gz ARWIJMDNYUQGAS-UHFFFAOYSA-N 0 3 287.403 2.478 20 30 CEEDHN C#C[C@@H](NCc1ccc(-n2cncn2)c(C)c1)C(C)C ZINC000289085404 395070041 /nfs/dbraw/zinc/07/00/41/395070041.db2.gz BDSHAQYJXQUNSA-OAHLLOKOSA-N 0 3 268.364 2.323 20 30 CEEDHN CC#CCN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000374189494 395075821 /nfs/dbraw/zinc/07/58/21/395075821.db2.gz ILSJRTLKSYATHC-UHFFFAOYSA-N 0 3 262.397 2.171 20 30 CEEDHN C#Cc1ccccc1CC(=O)NCCN1CCCCCC1 ZINC000289441018 395077570 /nfs/dbraw/zinc/07/75/70/395077570.db2.gz DTWBZMACLKKQKW-UHFFFAOYSA-N 0 3 284.403 2.203 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2C(F)F)cc1 ZINC000345858691 395080432 /nfs/dbraw/zinc/08/04/32/395080432.db2.gz GGXVUHACMGNBPJ-JHJVBQTASA-N 0 3 289.285 2.010 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000345861481 395081003 /nfs/dbraw/zinc/08/10/03/395081003.db2.gz UTXOYMPJNFZWGA-RRFJBIMHSA-N 0 3 282.428 2.204 20 30 CEEDHN COc1ccc([C@H](O)[C@H]2CCCN2CCCC#N)cc1 ZINC000374425072 395082376 /nfs/dbraw/zinc/08/23/76/395082376.db2.gz YIRDLPLBUZMCJC-CVEARBPZSA-N 0 3 274.364 2.497 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NCc2ccnc(-n3ccnc3)c2)C1 ZINC000375876421 395102505 /nfs/dbraw/zinc/10/25/05/395102505.db2.gz QKYRBQZXQPCHMY-UKRRQHHQSA-N 0 3 281.363 2.439 20 30 CEEDHN C=CCC[C@@H](O)CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289848031 395088863 /nfs/dbraw/zinc/08/88/63/395088863.db2.gz KNDFBKRRZLOWAC-QWHCGFSZSA-N 0 3 269.776 2.110 20 30 CEEDHN CN1CC[C@H]2CCN(c3cccc(F)c3C#N)C[C@H]21 ZINC000375043494 395090363 /nfs/dbraw/zinc/09/03/63/395090363.db2.gz VSILERGARSQLIG-XHDPSFHLSA-N 0 3 259.328 2.228 20 30 CEEDHN C=C[C@H](CO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000289904315 395090711 /nfs/dbraw/zinc/09/07/11/395090711.db2.gz UCUPUYLABYXXAO-BXUZGUMPSA-N 0 3 262.309 2.109 20 30 CEEDHN CC#CCCCC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346247738 395092682 /nfs/dbraw/zinc/09/26/82/395092682.db2.gz WEHCTRCRALRSRR-OWCLPIDISA-N 0 3 276.424 2.369 20 30 CEEDHN C#Cc1ccccc1CC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000290050452 395093177 /nfs/dbraw/zinc/09/31/77/395093177.db2.gz MHERHFPJBZFELK-PBHICJAKSA-N 0 3 284.403 2.009 20 30 CEEDHN COCC[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000346298366 395094669 /nfs/dbraw/zinc/09/46/69/395094669.db2.gz IVWZPSUOTKERCG-HIFRSBDPSA-N 0 3 274.364 2.300 20 30 CEEDHN C=CCN1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000171718022 395096976 /nfs/dbraw/zinc/09/69/76/395096976.db2.gz RZODFOOSRXEMNN-UHFFFAOYSA-N 0 3 295.364 2.037 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C)C[C@H](C)C1 ZINC000346433251 395099489 /nfs/dbraw/zinc/09/94/89/395099489.db2.gz 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GELROZKXZOIXGU-AWEZNQCLSA-N 0 3 279.771 2.324 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@H](OCC)C(C)C)CC1 ZINC000348784977 395151070 /nfs/dbraw/zinc/15/10/70/395151070.db2.gz BACFWLOZFVAGRN-HNNXBMFYSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1ccc(C#N)cc1 ZINC000429716441 395158933 /nfs/dbraw/zinc/15/89/33/395158933.db2.gz FVMYLOUQLSSEDQ-UHFFFAOYSA-N 0 3 257.381 2.498 20 30 CEEDHN COCC(C)(C)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430178487 395163727 /nfs/dbraw/zinc/16/37/27/395163727.db2.gz OLUNREZHQLGCLN-AWEZNQCLSA-N 0 3 289.379 2.079 20 30 CEEDHN C=CCN1CCC(NC(=O)N(CC)C2CCC2)CC1 ZINC000350107341 395181125 /nfs/dbraw/zinc/18/11/25/395181125.db2.gz UPWGAWGRXARRIR-UHFFFAOYSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H](C)[C@H](O)C2)cc1OC ZINC000349346847 395165853 /nfs/dbraw/zinc/16/58/53/395165853.db2.gz LCJVKVATNGHXNK-UKRRQHHQSA-N 0 3 291.391 2.463 20 30 CEEDHN C=CCCCCNC(=O)NCc1ccc2c(c1)CNC2 ZINC000418028868 395174452 /nfs/dbraw/zinc/17/44/52/395174452.db2.gz 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/nfs/dbraw/zinc/28/33/91/395283391.db2.gz NQVYPFJKBVDAQD-AWEZNQCLSA-N 0 3 290.407 2.310 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC[C@H]1CN1CCOCC1 ZINC000186242160 395287468 /nfs/dbraw/zinc/28/74/68/395287468.db2.gz QKEGHKJDDTYHFZ-SFHVURJKSA-N 0 3 299.418 2.163 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000293932209 395258825 /nfs/dbraw/zinc/25/88/25/395258825.db2.gz HYPGUCLRBSVHEV-MRXNPFEDSA-N 0 3 298.430 2.253 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@H](C=C)c1ccccc1 ZINC000293930543 395259265 /nfs/dbraw/zinc/25/92/65/395259265.db2.gz HWDBBSZEIXHCHX-INIZCTEOSA-N 0 3 284.403 2.418 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1ccc(F)cc1Cl ZINC000294032205 395264317 /nfs/dbraw/zinc/26/43/17/395264317.db2.gz RONXEOYOSBAILO-UHFFFAOYSA-N 0 3 296.773 2.093 20 30 CEEDHN COc1cc(CNCC2(CC#N)CC2)ccc1C#N ZINC000441355253 395388647 /nfs/dbraw/zinc/38/86/47/395388647.db2.gz NZSGCNDBZAHUII-UHFFFAOYSA-N 0 3 255.321 2.350 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000442670882 395389929 /nfs/dbraw/zinc/38/99/29/395389929.db2.gz KEXUUCBIHWGMEG-YRGRVCCFSA-N 0 3 270.442 2.093 20 30 CEEDHN C[C@H](O)CN1CCN(CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411576246 395331643 /nfs/dbraw/zinc/33/16/43/395331643.db2.gz XIRUICFLDJUADD-CVEARBPZSA-N 0 3 293.455 2.237 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000411777080 395338608 /nfs/dbraw/zinc/33/86/08/395338608.db2.gz ZTZLSWIKHOXPGN-CHWSQXEVSA-N 0 3 265.401 2.292 20 30 CEEDHN N#CCCCN[C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412009782 395345332 /nfs/dbraw/zinc/34/53/32/395345332.db2.gz OQAINNDXZQXZKT-MRXNPFEDSA-N 0 3 288.391 2.410 20 30 CEEDHN OC[C@H](NCC#Cc1cccc(Cl)c1)[C@H]1CCCOC1 ZINC000411983738 395345442 /nfs/dbraw/zinc/34/54/42/395345442.db2.gz CBAZWKQFIWRKJU-HOCLYGCPSA-N 0 3 293.794 2.069 20 30 CEEDHN Cc1ncc2c(n1)CC[C@@H](NCc1ccc(C#N)cc1F)C2 ZINC000533311987 395461443 /nfs/dbraw/zinc/46/14/43/395461443.db2.gz TZEGHWUGEWJUMF-OAHLLOKOSA-N 0 3 296.349 2.443 20 30 CEEDHN CSC[C@](C)(O)CNCc1ccc(C#N)c(C)c1 ZINC000443984854 395408191 /nfs/dbraw/zinc/40/81/91/395408191.db2.gz GLCFVNOJQNRSIG-CQSZACIVSA-N 0 3 264.394 2.070 20 30 CEEDHN CC[C@@H](C)[C@H](CNCc1cnc2ccc(C#N)cn12)OC ZINC000449403640 395546330 /nfs/dbraw/zinc/54/63/30/395546330.db2.gz XGBPRBRAMZTWBU-DOMZBBRYSA-N 0 3 286.379 2.357 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000450383027 395571497 /nfs/dbraw/zinc/57/14/97/395571497.db2.gz YRVKMNBNCDRJBR-QMTHXVAHSA-N 0 3 286.335 2.361 20 30 CEEDHN CCOC(=O)CCCN1CCC(CCC#N)CC1 ZINC000574036633 395624895 /nfs/dbraw/zinc/62/48/95/395624895.db2.gz YAUNTKOVMUFWBX-UHFFFAOYSA-N 0 3 252.358 2.345 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(C)[C@H]1CCN(C(C)C)C1)OCC ZINC000457089828 395634611 /nfs/dbraw/zinc/63/46/11/395634611.db2.gz LMXHRFVVHAKASJ-GJZGRUSLSA-N 0 3 282.428 2.299 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000491474504 395669825 /nfs/dbraw/zinc/66/98/25/395669825.db2.gz NISDMPNQZOPNCK-ZIAGYGMSSA-N 0 3 264.413 2.130 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000491464420 395669852 /nfs/dbraw/zinc/66/98/52/395669852.db2.gz OKRRCNBDTNLEPR-UTUOFQBUSA-N 0 3 295.383 2.002 20 30 CEEDHN C#C[C@@H](C)N(C)Cc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000491486962 395669973 /nfs/dbraw/zinc/66/99/73/395669973.db2.gz ZMDVANFBDGLRQN-CQSZACIVSA-N 0 3 289.375 2.309 20 30 CEEDHN C#CCN(C)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000491657772 395670271 /nfs/dbraw/zinc/67/02/71/395670271.db2.gz ARBHQKTVKDQWHI-HNNXBMFYSA-N 0 3 273.380 2.084 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)/C=C/c2cccc(C#N)c2)CCN1C ZINC000491937875 395670869 /nfs/dbraw/zinc/67/08/69/395670869.db2.gz KKLKROSZLQNJRR-GTKVBAFNSA-N 0 3 283.375 2.170 20 30 CEEDHN C=CCOc1ccc(CC(=O)N[C@H]2CCCN(C)C2)cc1 ZINC000648274304 395877952 /nfs/dbraw/zinc/87/79/52/395877952.db2.gz WSZNLPDNLPLHDE-HNNXBMFYSA-N 0 3 288.391 2.004 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCC)cn1 ZINC000648763016 395976958 /nfs/dbraw/zinc/97/69/58/395976958.db2.gz AZCVIBNORONJFO-CABCVRRESA-N 0 3 262.353 2.304 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(c2ccc(OC)cn2)CC1 ZINC000649651203 396221553 /nfs/dbraw/zinc/22/15/53/396221553.db2.gz AWGMVDHJPPPQMD-MRXNPFEDSA-N 0 3 276.380 2.207 20 30 CEEDHN CCC#C[C@H](C)N1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000646056903 396280598 /nfs/dbraw/zinc/28/05/98/396280598.db2.gz KWRAFIWTTOHTPC-DOTOQJQBSA-N 0 3 284.403 2.427 20 30 CEEDHN C=C[C@H](O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000646666865 396367514 /nfs/dbraw/zinc/36/75/14/396367514.db2.gz KZVCGEKCTSATOF-HNNXBMFYSA-N 0 3 274.364 2.158 20 30 CEEDHN C=CCC[C@@H](O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000150878621 400281354 /nfs/dbraw/zinc/28/13/54/400281354.db2.gz MNFVBFSAKLPERC-NUEKZKHPSA-N 0 3 291.391 2.454 20 30 CEEDHN C=CCC[C@@H](O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000150878587 400281616 /nfs/dbraw/zinc/28/16/16/400281616.db2.gz MNFVBFSAKLPERC-BMFZPTHFSA-N 0 3 291.391 2.454 20 30 CEEDHN CN(C(=O)C1(C#N)CCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309761984 400340822 /nfs/dbraw/zinc/34/08/22/400340822.db2.gz DYRDORSIKRJONH-INIZCTEOSA-N 0 3 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N#C[C@@H]1CCC[C@H](NCc2cccnc2-n2ccnc2)C1 ZINC000192654458 262207070 /nfs/dbraw/zinc/20/70/70/262207070.db2.gz AHEPBTJTFNSTHQ-HIFRSBDPSA-N 0 3 281.363 2.439 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@](C)(c2ccccc2)C1 ZINC000364396699 262227296 /nfs/dbraw/zinc/22/72/96/262227296.db2.gz CVYPGCJIZRTLBJ-PBHICJAKSA-N 0 3 272.392 2.341 20 30 CEEDHN C#CCCOc1ccc(CN2C[C@@H](O)C3(CC3)C2)cc1 ZINC000364451125 262242406 /nfs/dbraw/zinc/24/24/06/262242406.db2.gz ZKMCDZXHEIISRP-MRXNPFEDSA-N 0 3 271.360 2.045 20 30 CEEDHN N#CCCCCN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109759083 262256470 /nfs/dbraw/zinc/25/64/70/262256470.db2.gz SAKCWBANXBHKCQ-ZJUUUORDSA-N 0 3 250.264 2.068 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000364855634 262262863 /nfs/dbraw/zinc/26/28/63/262262863.db2.gz RZWVSUWJQCNYAJ-RDJZCZTQSA-N 0 3 294.439 2.302 20 30 CEEDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)CC#N ZINC000364916130 262265036 /nfs/dbraw/zinc/26/50/36/262265036.db2.gz OWIDUKHPNTYFAQ-AWEZNQCLSA-N 0 3 271.364 2.023 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCCC12CCCC2 ZINC000365122440 262279190 /nfs/dbraw/zinc/27/91/90/262279190.db2.gz RLFNENIEAVMVSN-UHFFFAOYSA-N 0 3 263.385 2.157 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCC(C)(C(C)C)CC1 ZINC000186202809 262311988 /nfs/dbraw/zinc/31/19/88/262311988.db2.gz WJMCJWRMPJOHEO-ZDUSSCGKSA-N 0 3 295.427 2.145 20 30 CEEDHN C(#Cc1ccccc1)CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000365252241 262355007 /nfs/dbraw/zinc/35/50/07/262355007.db2.gz APJUFPADAVIIGD-IAGOWNOFSA-N 0 3 255.361 2.397 20 30 CEEDHN CCCCCCCCCN1CCCN(CC(=O)NC)CC1 ZINC000365271707 262356943 /nfs/dbraw/zinc/35/69/43/262356943.db2.gz HIQKTFVKXUYPKJ-UHFFFAOYSA-N 0 3 297.487 2.491 20 30 CEEDHN CC1(C#N)CCN([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000272512399 263005678 /nfs/dbraw/zinc/00/56/78/263005678.db2.gz GGARYMOCAYASHV-HUUCEWRRSA-N 0 3 256.349 2.270 20 30 CEEDHN CCS(=O)(=O)Nc1ccc([C@H](C)NCCCC#N)cc1 ZINC000273257634 263014375 /nfs/dbraw/zinc/01/43/75/263014375.db2.gz MHDONFPYXBFGEN-LBPRGKRZSA-N 0 3 295.408 2.403 20 30 CEEDHN CN(C(=[NH2+])NCc1c([O-])ccc2c1CCCC2)C1CC1 ZINC000273316371 263015367 /nfs/dbraw/zinc/01/53/67/263015367.db2.gz DQAJDHIGOGNWAE-UHFFFAOYSA-N 0 3 273.380 2.180 20 30 CEEDHN C=CCOc1ccccc1CN1CCNC[C@](C)(F)C1 ZINC000414766571 263041290 /nfs/dbraw/zinc/04/12/90/263041290.db2.gz HWYCEGYUZQZQAP-INIZCTEOSA-N 0 3 278.371 2.385 20 30 CEEDHN C=CCOc1ccc(CN2CCNC[C@@](C)(F)C2)cc1 ZINC000414768216 263041695 /nfs/dbraw/zinc/04/16/95/263041695.db2.gz LLGRFJMJUGRRKF-MRXNPFEDSA-N 0 3 278.371 2.385 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000278747481 263050356 /nfs/dbraw/zinc/05/03/56/263050356.db2.gz NPNUILURPCKHDU-IXDOHACOSA-N 0 3 297.402 2.459 20 30 CEEDHN CC(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279343277 263054798 /nfs/dbraw/zinc/05/47/98/263054798.db2.gz IPWISEJBJLOSDI-AWEZNQCLSA-N 0 3 255.321 2.013 20 30 CEEDHN C[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279947809 263058350 /nfs/dbraw/zinc/05/83/50/263058350.db2.gz LYFLRHXCANJOMT-CJNGLKHVSA-N 0 3 281.359 2.499 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CCSC2)cc1 ZINC000280200375 263059607 /nfs/dbraw/zinc/05/96/07/263059607.db2.gz ZLPXNMHLFSINKE-HUUCEWRRSA-N 0 3 299.399 2.110 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)N2CC(C)(C#N)C2)c1 ZINC000284518494 263087184 /nfs/dbraw/zinc/08/71/84/263087184.db2.gz ISRZIHQVTXDRQK-UHFFFAOYSA-N 0 3 272.352 2.126 20 30 CEEDHN CN1CCN(CCCC#N)C[C@@H]1Cc1ccccc1 ZINC000284674791 263087714 /nfs/dbraw/zinc/08/77/14/263087714.db2.gz GOIJOXSAOPMOTH-INIZCTEOSA-N 0 3 257.381 2.149 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@](C)(C#N)CC)CC1 ZINC000285394638 263092680 /nfs/dbraw/zinc/09/26/80/263092680.db2.gz OHOHKHMSTRRTCL-HNNXBMFYSA-N 0 3 263.385 2.083 20 30 CEEDHN CN(CCCN(C)C[C@H](C#N)CCC#N)Cc1ccco1 ZINC000285549637 263094071 /nfs/dbraw/zinc/09/40/71/263094071.db2.gz GNKNOBPTWQKZOU-HNNXBMFYSA-N 0 3 288.395 2.477 20 30 CEEDHN CN1CC[C@H](NC[C@H](C#N)CCC#N)[C@@H]1c1ccccc1 ZINC000289351049 263109535 /nfs/dbraw/zinc/10/95/35/263109535.db2.gz HGZZUUGUGVVYNY-XIRDDKMYSA-N 0 3 282.391 2.465 20 30 CEEDHN N#CCCCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289389225 263109823 /nfs/dbraw/zinc/10/98/23/263109823.db2.gz NIUNKCOFOXYFKA-KBPBESRZSA-N 0 3 286.331 2.101 20 30 CEEDHN COc1ccc(CN(C)[C@H](C)CO)cc1OCCCC#N ZINC000289428202 263110121 /nfs/dbraw/zinc/11/01/21/263110121.db2.gz KGLASWYDNPSHIM-CYBMUJFWSA-N 0 3 292.379 2.190 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](C)c1cc2c(C)nn(C)c2s1 ZINC000289707887 263111476 /nfs/dbraw/zinc/11/14/76/263111476.db2.gz IXLJBUBNWNKDJU-UWVGGRQHSA-N 0 3 265.382 2.141 20 30 CEEDHN N#CCCCCNCc1cnnn1Cc1ccccc1 ZINC000291907782 263126475 /nfs/dbraw/zinc/12/64/75/263126475.db2.gz JUWWRVLKZUCKPS-UHFFFAOYSA-N 0 3 269.352 2.110 20 30 CEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCC#N ZINC000291994434 263127089 /nfs/dbraw/zinc/12/70/89/263127089.db2.gz HEFAYQBYXQQXDO-UHFFFAOYSA-N 0 3 298.390 2.142 20 30 CEEDHN C[C@H](c1ccccc1)[C@@H](NCCC(C)(C)C#N)C(N)=O ZINC000292161017 263129114 /nfs/dbraw/zinc/12/91/14/263129114.db2.gz KYYVGCYKBHKWCA-TZMCWYRMSA-N 0 3 273.380 2.173 20 30 CEEDHN C#CCNC(=O)CCN(C)Cc1ccc(C(C)C)cc1 ZINC000293468809 263141466 /nfs/dbraw/zinc/14/14/66/263141466.db2.gz LRHDRWVOCVTEIN-UHFFFAOYSA-N 0 3 272.392 2.381 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H]2CF)cc1 ZINC000294141948 263156418 /nfs/dbraw/zinc/15/64/18/263156418.db2.gz QWHNQXHSLUYFQR-GJZGRUSLSA-N 0 3 285.322 2.201 20 30 CEEDHN N#CCCOCCN1CCC[C@H](c2ccncc2)C1 ZINC000296056036 263185281 /nfs/dbraw/zinc/18/52/81/263185281.db2.gz UKGNHXUCPNOZKI-HNNXBMFYSA-N 0 3 259.353 2.191 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](NCc1ccccc1)c1ccco1 ZINC000341124341 263322917 /nfs/dbraw/zinc/32/29/17/263322917.db2.gz VMSMXRXAFQMVKS-DZGCQCFKSA-N 0 3 297.358 2.386 20 30 CEEDHN CC#CCN(C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000454476260 263325402 /nfs/dbraw/zinc/32/54/02/263325402.db2.gz FXRVGDSBRJBCFZ-UHFFFAOYSA-N 0 3 289.379 2.114 20 30 CEEDHN CC[C@@H](NC(=O)C(C)C#N)c1ccc(OC)c(OC)c1 ZINC000341350146 263332196 /nfs/dbraw/zinc/33/21/96/263332196.db2.gz BGSPSKGJHQFALV-ZYHUDNBSSA-N 0 3 276.336 2.431 20 30 CEEDHN C=CC[C@H](CO)CNCc1cnc(-c2ccccn2)s1 ZINC000341304111 263333111 /nfs/dbraw/zinc/33/31/11/263333111.db2.gz SVKQLASILLSTJQ-LBPRGKRZSA-N 0 3 289.404 2.479 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000342007263 263377248 /nfs/dbraw/zinc/37/72/48/263377248.db2.gz GSDVTAXJOSJEMC-OCCSQVGLSA-N 0 3 250.386 2.284 20 30 CEEDHN CC(C#N)C(=O)NC1(CCOCc2ccccc2)CC1 ZINC000342194227 263398426 /nfs/dbraw/zinc/39/84/26/263398426.db2.gz CODOKDHXEUZZHO-CYBMUJFWSA-N 0 3 272.348 2.402 20 30 CEEDHN COC[C@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000428054199 263806421 /nfs/dbraw/zinc/80/64/21/263806421.db2.gz NAHVNWJUNUVALO-CABZTGNLSA-N 0 3 266.728 2.303 20 30 CEEDHN CN(C)[C@H]1CCN(C(=O)Nc2nccn2-c2ccccc2)C1 ZINC000328737360 263850944 /nfs/dbraw/zinc/85/09/44/263850944.db2.gz KEBHKKKYTCHITE-AWEZNQCLSA-N 0 3 299.378 2.054 20 30 CEEDHN C[C@H](CNC(=O)[C@@H]1C[C@H](C)CC(=O)N1)N(C)C1CC1 ZINC000328772411 263860151 /nfs/dbraw/zinc/86/01/51/263860151.db2.gz BEBIKHDWBAUXLR-UMNHJUIQSA-N 0 3 267.373 2.181 20 30 CEEDHN CCOC(=O)CC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000330429218 263938045 /nfs/dbraw/zinc/93/80/45/263938045.db2.gz LSHUGMVXYBJASK-ZIAGYGMSSA-N 0 3 264.369 2.344 20 30 CEEDHN CCC(=O)N[C@@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000330982818 264103043 /nfs/dbraw/zinc/10/30/43/264103043.db2.gz HPBFCIGVJHZZBN-CYBMUJFWSA-N 0 3 265.401 2.307 20 30 CEEDHN CCc1nc(NC(=O)NC[C@H](C)N(C)C)sc1C ZINC000331144099 264137286 /nfs/dbraw/zinc/13/72/86/264137286.db2.gz FZYZQPDCGYHRAX-QMMMGPOBSA-N 0 3 270.402 2.290 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(C(=O)OCC)co1 ZINC000425360868 264143267 /nfs/dbraw/zinc/14/32/67/264143267.db2.gz XYIRJAQJEQDTJF-FZMZJTMJSA-N 0 3 279.336 2.137 20 30 CEEDHN N#C[C@@H]1CCC[C@@H]1NCCCO[C@H]1CCCCO1 ZINC000331340192 264194086 /nfs/dbraw/zinc/19/40/86/264194086.db2.gz JZSBCZFNIGOGER-IHRRRGAJSA-N 0 3 252.358 2.202 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H](CO)[C@@H]2C)cc1OC ZINC000426001842 264300896 /nfs/dbraw/zinc/30/08/96/264300896.db2.gz ZJZCRLJKHGDYHQ-ZFWWWQNUSA-N 0 3 291.391 2.463 20 30 CEEDHN C=CCc1cc(CN2CC[C@H](O)[C@H](C)C2)cc(OC)c1O ZINC000190052957 264395041 /nfs/dbraw/zinc/39/50/41/264395041.db2.gz BFLYIRCSVSZXDP-DOMZBBRYSA-N 0 3 291.391 2.332 20 30 CEEDHN C=CCOCCCN1CCC[C@@H](c2nc(C)no2)C1 ZINC000347967354 265139086 /nfs/dbraw/zinc/13/90/86/265139086.db2.gz HDUIPQVLFYZOTE-CYBMUJFWSA-N 0 3 265.357 2.150 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000335587175 265160128 /nfs/dbraw/zinc/16/01/28/265160128.db2.gz ZDQDJLLOHSNANA-WMLDXEAASA-N 0 3 289.423 2.402 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1COc2cccc(Cl)c21 ZINC000356628837 266150747 /nfs/dbraw/zinc/15/07/47/266150747.db2.gz YSKSNOPUNAYTQX-CBAPKCEASA-N 0 3 250.685 2.049 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000356903378 266208429 /nfs/dbraw/zinc/20/84/29/266208429.db2.gz BDVGOQVCCCFNSU-NTSWFWBYSA-N 0 3 263.244 2.022 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@@H](C)C1CCC1 ZINC000357029616 266235698 /nfs/dbraw/zinc/23/56/98/266235698.db2.gz DGPSDRFPZAJGON-STQMWFEESA-N 0 3 265.401 2.115 20 30 CEEDHN CC(C#N)C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000357794381 266365058 /nfs/dbraw/zinc/36/50/58/266365058.db2.gz DBUMHBGCIIVRJT-LLVKDONJSA-N 0 3 288.347 2.011 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(OC(F)F)cc1 ZINC000357805526 266367126 /nfs/dbraw/zinc/36/71/26/266367126.db2.gz AZDYTSZTLBXCJB-MRVPVSSYSA-N 0 3 254.236 2.064 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000357820708 266372253 /nfs/dbraw/zinc/37/22/53/266372253.db2.gz IBJFKAPLJLTRFE-OLZOCXBDSA-N 0 3 275.352 2.082 20 30 CEEDHN C=CCOc1ccc(CNC(=O)CN(CC)CC)cc1 ZINC000359099680 266535210 /nfs/dbraw/zinc/53/52/10/266535210.db2.gz RFGVJTCIAMPXGD-UHFFFAOYSA-N 0 3 276.380 2.209 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359569506 266601309 /nfs/dbraw/zinc/60/13/09/266601309.db2.gz YWGXAKHXZMOGFV-FMKPAKJESA-N 0 3 277.412 2.259 20 30 CEEDHN CC(C)O[C@@]1(C)C[C@H]1NCc1cnc2ccc(C#N)cn12 ZINC000527803113 266934014 /nfs/dbraw/zinc/93/40/14/266934014.db2.gz VESWMOKNFVXXCP-ZBFHGGJFSA-N 0 3 284.363 2.252 20 30 CEEDHN N#CCNC(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000362583655 267010647 /nfs/dbraw/zinc/01/06/47/267010647.db2.gz MFRLELCCOXLHKJ-BBWFWOEESA-N 0 3 297.402 2.284 20 30 CEEDHN CN(C)Cc1ccccc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000362875056 267056640 /nfs/dbraw/zinc/05/66/40/267056640.db2.gz KMNHFKXYHIPFAV-SWLSCSKDSA-N 0 3 271.364 2.170 20 30 CEEDHN CCN(CCNc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000425221150 267066189 /nfs/dbraw/zinc/06/61/89/267066189.db2.gz GCVOQLJLZSMQMK-UHFFFAOYSA-N 0 3 274.324 2.363 20 30 CEEDHN CCOC[C@H]1CCCCN1Cc1cc(C#N)n(C)c1 ZINC000459673205 267139513 /nfs/dbraw/zinc/13/95/13/267139513.db2.gz JEIUOVGIMJGXHD-CQSZACIVSA-N 0 3 261.369 2.288 20 30 CEEDHN CCO[C@@H]1COCC[C@H]1NCc1ccc(C#N)c(C)c1 ZINC000488084887 267148609 /nfs/dbraw/zinc/14/86/09/267148609.db2.gz HHDFKXYUXKAYHL-HZPDHXFCSA-N 0 3 274.364 2.150 20 30 CEEDHN CC[C@@H](C)N[C@@H](CNc1cncc(C#N)n1)c1ccco1 ZINC000420628754 267187218 /nfs/dbraw/zinc/18/72/18/267187218.db2.gz PZRYTZAFDCJOLI-YPMHNXCESA-N 0 3 285.351 2.483 20 30 CEEDHN CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCCC#N ZINC000368671297 267196118 /nfs/dbraw/zinc/19/61/18/267196118.db2.gz VEAIQYCHZCJUGT-UONOGXRCSA-N 0 3 263.385 2.156 20 30 CEEDHN CC[C@@H](N[C@H](C)CC(=O)NC)c1ccc(C#N)cc1 ZINC000453386992 267197713 /nfs/dbraw/zinc/19/77/13/267197713.db2.gz VWSMGBWPKOGBLP-BXUZGUMPSA-N 0 3 259.353 2.124 20 30 CEEDHN CC[C@H](NCCNC(=O)C(C)C)c1ccc(C#N)cc1 ZINC000447517467 267221015 /nfs/dbraw/zinc/22/10/15/267221015.db2.gz KWFKIJQRGSBVFU-HNNXBMFYSA-N 0 3 273.380 2.371 20 30 CEEDHN CC[C@H]1CN(CCN[C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000494450885 267230767 /nfs/dbraw/zinc/23/07/67/267230767.db2.gz LNZMPYCXYLSHEI-YOEHRIQHSA-N 0 3 287.407 2.320 20 30 CEEDHN C#CC[C@H](C)NC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000369817829 267268477 /nfs/dbraw/zinc/26/84/77/267268477.db2.gz DMEQSXWJNHRCTP-LSDHHAIUSA-N 0 3 277.412 2.058 20 30 CEEDHN C=CCNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000369858902 267272161 /nfs/dbraw/zinc/27/21/61/267272161.db2.gz ZBXAPKYCLLRQAZ-QGZVFWFLSA-N 0 3 287.407 2.384 20 30 CEEDHN CN(c1ncc2c(c1C#N)CCC2)[C@H]1CCN(C2CC2)C1 ZINC000425222565 267329121 /nfs/dbraw/zinc/32/91/21/267329121.db2.gz GZULJQHPGJHRND-AWEZNQCLSA-N 0 3 282.391 2.115 20 30 CEEDHN CN1CCC[C@H](CNC(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000491562817 267337860 /nfs/dbraw/zinc/33/78/60/267337860.db2.gz OTQWVKRRCCIEAF-HLRDLLSLSA-N 0 3 283.375 2.029 20 30 CEEDHN CC(C)(C#N)CCN1CCCC[C@@H]1CN1CCCC1=O ZINC000371199818 267369389 /nfs/dbraw/zinc/36/93/89/267369389.db2.gz WQZZYAIFJNUDDS-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NC[C@H](N)c1ccccc1 ZINC000418150691 267375713 /nfs/dbraw/zinc/37/57/13/267375713.db2.gz RCSNUDHGAIFECP-KBPBESRZSA-N 0 3 261.369 2.340 20 30 CEEDHN C=CCCS(=O)(=O)NC[C@H]1CCCCN1CCCC ZINC000120116994 267383765 /nfs/dbraw/zinc/38/37/65/267383765.db2.gz BREORYUKXKJOGU-CQSZACIVSA-N 0 3 288.457 2.137 20 30 CEEDHN COC(=O)[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000487935026 267384160 /nfs/dbraw/zinc/38/41/60/267384160.db2.gz YKZBSLCDYHMBSR-HNNXBMFYSA-N 0 3 272.348 2.252 20 30 CEEDHN COc1cccc(CCNCc2ccc(C#N)c(OC)c2)n1 ZINC000440631031 267652972 /nfs/dbraw/zinc/65/29/72/267652972.db2.gz VAQDLZAHMWDRGQ-UHFFFAOYSA-N 0 3 297.358 2.303 20 30 CEEDHN CC#CCCCC(=O)N1CCCN(CC(C)C)CC1 ZINC000376954364 268032838 /nfs/dbraw/zinc/03/28/38/268032838.db2.gz KGHSIPAGVQJLLA-UHFFFAOYSA-N 0 3 264.413 2.370 20 30 CEEDHN N#Cc1ccc(C2(NCCn3cccn3)CCOCC2)cc1 ZINC000528785529 268211457 /nfs/dbraw/zinc/21/14/57/268211457.db2.gz TXAUGPZYQUXFSD-UHFFFAOYSA-N 0 3 296.374 2.050 20 30 CEEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1C[C@H]1c1ccco1 ZINC000530232573 268299350 /nfs/dbraw/zinc/29/93/50/268299350.db2.gz KBOXVCSMYGCEQC-RRFJBIMHSA-N 0 3 298.342 2.037 20 30 CEEDHN N#Cc1cnn2cc(CNCC[C@H]3CC=CCC3)cnc12 ZINC000529666259 268318317 /nfs/dbraw/zinc/31/83/17/268318317.db2.gz KGQSSCCGAQCNSW-ZDUSSCGKSA-N 0 3 281.363 2.437 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cscc1C#N ZINC000432785102 269613691 /nfs/dbraw/zinc/61/36/91/269613691.db2.gz RSGBGHAQBBCIEO-LBPRGKRZSA-N 0 3 279.409 2.326 20 30 CEEDHN C[C@H]1C[C@H](Nc2nccc(C#N)n2)CN1Cc1ccccc1 ZINC000398151584 270356774 /nfs/dbraw/zinc/35/67/74/270356774.db2.gz PLDQVTVNWALGRG-BBRMVZONSA-N 0 3 293.374 2.423 20 30 CEEDHN C[C@H]1[C@@H](Nc2ncc3c(c2C#N)CCC3)CCCN1C ZINC000425245032 271145212 /nfs/dbraw/zinc/14/52/12/271145212.db2.gz IIJXCGKKWNXLCU-NHYWBVRUSA-N 0 3 270.380 2.337 20 30 CEEDHN C[C@@H](N[C@@H](CO)CC(F)F)c1ccc(C#N)c(F)c1 ZINC000429444005 271331879 /nfs/dbraw/zinc/33/18/79/271331879.db2.gz ARQYKHGBBFWCOG-LDYMZIIASA-N 0 3 272.270 2.364 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000267628020 274335340 /nfs/dbraw/zinc/33/53/40/274335340.db2.gz LSDHJSZCTSBRKE-DGCLKSJQSA-N 0 3 288.351 2.243 20 30 CEEDHN C[C@H](O)CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352829449 274533087 /nfs/dbraw/zinc/53/30/87/274533087.db2.gz BIJJCNXZHITSJP-VIFPVBQESA-N 0 3 272.270 2.438 20 30 CEEDHN C#Cc1ccc(CNC(=O)N[C@H](C)CN2CCCCC2)cc1 ZINC000296261249 275720999 /nfs/dbraw/zinc/72/09/99/275720999.db2.gz CANGONUMIFYATA-OAHLLOKOSA-N 0 3 299.418 2.342 20 30 CEEDHN CCCN1CCCN(c2c(C#N)cccc2C#N)CC1 ZINC000373047978 276006095 /nfs/dbraw/zinc/00/60/95/276006095.db2.gz UJBGLHJQKWSHJM-UHFFFAOYSA-N 0 3 268.364 2.352 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC000329846093 276168300 /nfs/dbraw/zinc/16/83/00/276168300.db2.gz QQAOUJUZTIDGBR-RISCZKNCSA-N 0 3 267.373 2.184 20 30 CEEDHN CC[C@@H](C(=O)NCc1ccc(C#N)cc1)N(CC)CC ZINC000265581860 276408123 /nfs/dbraw/zinc/40/81/23/276408123.db2.gz JFLOAVPJRNPPNM-HNNXBMFYSA-N 0 3 273.380 2.295 20 30 CEEDHN CN1CCC[C@@]2(CCN(c3c(C#N)cccc3C#N)C2)C1 ZINC000338747326 277072637 /nfs/dbraw/zinc/07/26/37/277072637.db2.gz UKPRATJDOYLGOA-QGZVFWFLSA-N 0 3 280.375 2.352 20 30 CEEDHN CNC(=O)[C@H]1CCC[C@@H]1NCC#Cc1ccccc1Cl ZINC000348157993 277252176 /nfs/dbraw/zinc/25/21/76/277252176.db2.gz GRKNHZQUEZFXCP-ZFWWWQNUSA-N 0 3 290.794 2.196 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000193352926 277871707 /nfs/dbraw/zinc/87/17/07/277871707.db2.gz YGMNCVVQQRFXNA-LRDDRELGSA-N 0 3 288.391 2.427 20 30 CEEDHN C[C@@H](N[C@@H]1CCO[C@@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000330300230 278373743 /nfs/dbraw/zinc/37/37/43/278373743.db2.gz IJBOHLSOIUWFHV-JHJVBQTASA-N 0 3 279.384 2.325 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cccc(F)c1C#N ZINC000188384929 278974230 /nfs/dbraw/zinc/97/42/30/278974230.db2.gz BDMNRUSOTUZDOA-LBPRGKRZSA-N 0 3 291.370 2.403 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NCCN1CCCC(C)(C)C1 ZINC000355549654 288385477 /nfs/dbraw/zinc/38/54/77/288385477.db2.gz UWPICHSZMCOGID-OAHLLOKOSA-N 0 3 265.401 2.164 20 30 CEEDHN CC(C#N)C(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC000335798701 289234575 /nfs/dbraw/zinc/23/45/75/289234575.db2.gz IZISNDZMIVZEMO-LLVKDONJSA-N 0 3 290.388 2.298 20 30 CEEDHN C[C@H](CNC(=O)N[C@]1(C)CCCOC1)N1CCC(C)CC1 ZINC000329150757 289394710 /nfs/dbraw/zinc/39/47/10/289394710.db2.gz RVTAVXFFRUDEGS-GDBMZVCRSA-N 0 3 297.443 2.180 20 30 CEEDHN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000329664728 294815811 /nfs/dbraw/zinc/81/58/11/294815811.db2.gz PPUITNBVTYOIFM-ZNMIVQPWSA-N 0 3 290.411 2.153 20 30 CEEDHN N#C[C@@]1(C(=O)NC2CCN(C3CC3)CC2)CC12CCCC2 ZINC000333171081 294834396 /nfs/dbraw/zinc/83/43/96/294834396.db2.gz KHMGXJFVEDOFHN-QGZVFWFLSA-N 0 3 287.407 2.203 20 30 CEEDHN C[C@@H](NCCN1CCO[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000538507757 298229933 /nfs/dbraw/zinc/22/99/33/298229933.db2.gz CCWFJHDBFIMGOY-CHWSQXEVSA-N 0 3 291.370 2.069 20 30 CEEDHN CCC(=O)N1CC[C@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000564258378 298822235 /nfs/dbraw/zinc/82/22/35/298822235.db2.gz DEDNNTLPHISVDV-HOCLYGCPSA-N 0 3 283.375 2.146 20 30 CEEDHN C=CCNC(=O)CNc1cc(C)nc2ccccc21 ZINC000302064624 327720067 /nfs/dbraw/zinc/72/00/67/327720067.db2.gz TYRJDYGOYZIUPV-UHFFFAOYSA-N 0 3 255.321 2.257 20 30 CEEDHN CO[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000575926298 314226192 /nfs/dbraw/zinc/22/61/92/314226192.db2.gz VTYVLYSBCMRRDV-TZMCWYRMSA-N 0 3 275.308 2.124 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)CCN1CCOCCC#N ZINC000293271687 328088726 /nfs/dbraw/zinc/08/87/26/328088726.db2.gz XYVVTJTWLNZWMV-MRXNPFEDSA-N 0 3 287.407 2.123 20 30 CEEDHN C=CCN1CC[C@@H](N[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1=O ZINC000412067625 328103943 /nfs/dbraw/zinc/10/39/43/328103943.db2.gz HPQQXRFAOFFCGV-HZSPNIEDSA-N 0 3 294.439 2.345 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H](C)c1ccccc1 ZINC000571393900 328118271 /nfs/dbraw/zinc/11/82/71/328118271.db2.gz IUYLLSAMPIMSJB-BMFZPTHFSA-N 0 3 288.391 2.187 20 30 CEEDHN C=CC[C@H](CC)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000393860589 329090585 /nfs/dbraw/zinc/09/05/85/329090585.db2.gz GVEUMLCJHYLQRY-AWEZNQCLSA-N 0 3 292.404 2.276 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1c(C)onc1CC ZINC000451679554 328165372 /nfs/dbraw/zinc/16/53/72/328165372.db2.gz ZBYHMRQYTKFUHT-KGLIPLIRSA-N 0 3 250.342 2.369 20 30 CEEDHN CN(C)Cc1cccc(C(=O)NCCCCC#N)c1 ZINC000172620757 329137687 /nfs/dbraw/zinc/13/76/87/329137687.db2.gz LPMQMEYTBLFNIF-UHFFFAOYSA-N 0 3 259.353 2.172 20 30 CEEDHN C#CCN(C)CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000292635337 328197037 /nfs/dbraw/zinc/19/70/37/328197037.db2.gz AKJDHGMMOUXCLR-UHFFFAOYSA-N 0 3 282.731 2.010 20 30 CEEDHN CCN(Cc1ccc(OCC#N)cc1)C[C@@H](C)OC ZINC000291323087 328263166 /nfs/dbraw/zinc/26/31/66/328263166.db2.gz UZBJEQDOZNZCBJ-CYBMUJFWSA-N 0 3 262.353 2.446 20 30 CEEDHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CCOCCC#N ZINC000293566467 328276802 /nfs/dbraw/zinc/27/68/02/328276802.db2.gz SKHYLXFXEJQXAQ-CQSZACIVSA-N 0 3 299.378 2.190 20 30 CEEDHN C=CCC[C@H](O)CN1CCC(Nc2ccccn2)CC1 ZINC000534861929 328365734 /nfs/dbraw/zinc/36/57/34/328365734.db2.gz YNLAIRNSYMRBST-HNNXBMFYSA-N 0 3 275.396 2.285 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(OC)c(OC)c1C ZINC000342137728 328417545 /nfs/dbraw/zinc/41/75/45/328417545.db2.gz AFDBKBMBXGAZSJ-CYBMUJFWSA-N 0 3 265.353 2.039 20 30 CEEDHN C=CCNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000416431009 328434531 /nfs/dbraw/zinc/43/45/31/328434531.db2.gz GGFPMYWPUZPNOZ-AWEZNQCLSA-N 0 3 261.369 2.295 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2ccc(CN3CCOCC3)cc2)C1 ZINC000442641237 328505587 /nfs/dbraw/zinc/50/55/87/328505587.db2.gz CWHLABSKPRLWRY-ROUUACIJSA-N 0 3 299.418 2.301 20 30 CEEDHN N#CCC[C@@H](C#N)CNC1CCN(c2ccccn2)CC1 ZINC000558750211 327118708 /nfs/dbraw/zinc/11/87/08/327118708.db2.gz CAJHLYUIKQVTFS-AWEZNQCLSA-N 0 3 283.379 2.084 20 30 CEEDHN C=CCNC(=O)CN(C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000152941315 327160397 /nfs/dbraw/zinc/16/03/97/327160397.db2.gz QDRIBNAKXMAQAO-GPANFISMSA-N 0 3 294.439 2.348 20 30 CEEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cnn(C)c1 ZINC000348310493 327288567 /nfs/dbraw/zinc/28/85/67/327288567.db2.gz NOQDXSUZAVLKHB-LBPRGKRZSA-N 0 3 254.337 2.337 20 30 CEEDHN C=C(Br)CNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000153540256 327346887 /nfs/dbraw/zinc/34/68/87/327346887.db2.gz AABHFTRUBMYFPC-ZYHUDNBSSA-N 0 3 297.196 2.347 20 30 CEEDHN CC[C@@H](C)N[C@@H](CNC(=O)C(C)(C)C#N)c1ccco1 ZINC000359550237 328898622 /nfs/dbraw/zinc/89/86/22/328898622.db2.gz XMZFERSCWWUPGM-NEPJUHHUSA-N 0 3 277.368 2.375 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccccn2)CC1 ZINC000171698169 329078539 /nfs/dbraw/zinc/07/85/39/329078539.db2.gz POKNEVAQKGTQKC-ZDUSSCGKSA-N 0 3 288.395 2.092 20 30 CEEDHN C=C(C)CN1CCC(NCc2cn3ccccc3n2)CC1 ZINC000174363221 329155644 /nfs/dbraw/zinc/15/56/44/329155644.db2.gz OFKACKASTVKNAU-UHFFFAOYSA-N 0 3 284.407 2.464 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000321059135 329246018 /nfs/dbraw/zinc/24/60/18/329246018.db2.gz XXAZHFNMHUTRJY-LBPRGKRZSA-N 0 3 250.298 2.012 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NCCN1CCC(C)CC1 ZINC000185137359 329266513 /nfs/dbraw/zinc/26/65/13/329266513.db2.gz BMYJYHCHNMPVPB-AWEZNQCLSA-N 0 3 252.402 2.437 20 30 CEEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C(=O)N1CCCCC1 ZINC000185815781 329329483 /nfs/dbraw/zinc/32/94/83/329329483.db2.gz ZFXAXOLPDSOBGE-BFHYXJOUSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCCC[C@@H](C)C1 ZINC000187939837 329361495 /nfs/dbraw/zinc/36/14/95/329361495.db2.gz OVYSBIIUAUYBSC-CQSZACIVSA-N 0 3 250.386 2.309 20 30 CEEDHN C=CCN(CCOC)C(=O)NCCN1CCCC[C@@H]1CC ZINC000189123033 329377915 /nfs/dbraw/zinc/37/79/15/329377915.db2.gz QWVRHWJMICMREV-HNNXBMFYSA-N 0 3 297.443 2.095 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000189494212 329381678 /nfs/dbraw/zinc/38/16/78/329381678.db2.gz YVSDQIUEKQFYIL-YQQAZPJKSA-N 0 3 294.439 2.158 20 30 CEEDHN CC(C)(C)CCN1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000129054514 329614215 /nfs/dbraw/zinc/61/42/15/329614215.db2.gz QRYFOBGJJFYKBJ-HNNXBMFYSA-N 0 3 276.428 2.484 20 30 CEEDHN C[C@@H]1c2c(F)cccc2CCN1C(=O)[C@@H](N)CCCC#N ZINC000520794632 329764965 /nfs/dbraw/zinc/76/49/65/329764965.db2.gz HALANENOMIOAGQ-RISCZKNCSA-N 0 3 289.354 2.293 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000268682140 330066173 /nfs/dbraw/zinc/06/61/73/330066173.db2.gz XHFIDJNFLNLTOU-INIZCTEOSA-N 0 3 290.407 2.144 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000421927620 330109901 /nfs/dbraw/zinc/10/99/01/330109901.db2.gz SAPDQJXKFYTDON-UTUOFQBUSA-N 0 3 280.368 2.115 20 30 CEEDHN C=CCOc1ccccc1CN[C@H](C)C[C@H]1COCCN1 ZINC000422909392 330159736 /nfs/dbraw/zinc/15/97/36/330159736.db2.gz NXZBQQDBURHMET-ZBFHGGJFSA-N 0 3 290.407 2.108 20 30 CEEDHN CCOc1ccc(NC(=O)[C@H](N)CCCC#N)cc1OC ZINC000424065447 330219346 /nfs/dbraw/zinc/21/93/46/330219346.db2.gz LQVHQLRDDIDPGA-GFCCVEGCSA-N 0 3 291.351 2.054 20 30 CEEDHN CC(C)c1csc(NC(=O)[C@H](N)CCCC#N)n1 ZINC000424067397 330219551 /nfs/dbraw/zinc/21/95/51/330219551.db2.gz VUZBSGWSHZEJHV-SECBINFHSA-N 0 3 266.370 2.226 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccccc1 ZINC000424069672 330219818 /nfs/dbraw/zinc/21/98/18/330219818.db2.gz QFVSZLISLBVIRL-GJZGRUSLSA-N 0 3 271.364 2.371 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(Cl)cc1 ZINC000424081346 330222013 /nfs/dbraw/zinc/22/20/13/330222013.db2.gz VHQNJBYITRGVJK-LLVKDONJSA-N 0 3 251.717 2.300 20 30 CEEDHN CCC1CCC(N(C)C(=O)[C@H](N)CCCC#N)CC1 ZINC000424087890 330224169 /nfs/dbraw/zinc/22/41/69/330224169.db2.gz GESSJWFIURHQSX-JXQTWKCFSA-N 0 3 265.401 2.435 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000424093999 330226283 /nfs/dbraw/zinc/22/62/83/330226283.db2.gz TUKBILBAVPOZFN-CHWSQXEVSA-N 0 3 277.393 2.433 20 30 CEEDHN Cc1[nH]c2ccc(CNC(=O)[C@@H](N)CCCC#N)cc2c1C ZINC000424103851 330233850 /nfs/dbraw/zinc/23/38/50/330233850.db2.gz FUYLFTMCIKCLDL-HNNXBMFYSA-N 0 3 298.390 2.422 20 30 CEEDHN Cc1ccc(C[C@@H](C)NC(=O)[C@H](N)CCCC#N)s1 ZINC000424122900 330254909 /nfs/dbraw/zinc/25/49/09/330254909.db2.gz JYNHKUDWEQRSJS-ZWNOBZJWSA-N 0 3 279.409 2.125 20 30 CEEDHN CN(C(=O)[C@H](N)CCCC#N)[C@@H]1CCc2ccccc2C1 ZINC000424124532 330257223 /nfs/dbraw/zinc/25/72/23/330257223.db2.gz MKJVDJVEZPDKPY-HZPDHXFCSA-N 0 3 285.391 2.023 20 30 CEEDHN CC(C)(NC(=O)[C@H](N)CCCC#N)c1cccs1 ZINC000424124894 330257798 /nfs/dbraw/zinc/25/77/98/330257798.db2.gz NARZHXNWEXEEAD-SNVBAGLBSA-N 0 3 265.382 2.121 20 30 CEEDHN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@H](N)CCCC#N ZINC000424126728 330259123 /nfs/dbraw/zinc/25/91/23/330259123.db2.gz PQPUHEJBERTJAF-VNQPRFMTSA-N 0 3 285.391 2.412 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N(C(=O)[C@H](N)CCCC#N)C1 ZINC000424128528 330259747 /nfs/dbraw/zinc/25/97/47/330259747.db2.gz RJRKJWMHZRKXQY-JHJVBQTASA-N 0 3 251.374 2.045 20 30 CEEDHN CC1(C)CCCC[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000424130087 330260683 /nfs/dbraw/zinc/26/06/83/330260683.db2.gz SSIVWWDGMGIPEH-VXGBXAGGSA-N 0 3 251.374 2.093 20 30 CEEDHN CC(C)c1cnc(NC(=O)[C@H](N)CCCC#N)s1 ZINC000424135799 330270906 /nfs/dbraw/zinc/27/09/06/330270906.db2.gz ZVXHENJXJQBRLZ-SECBINFHSA-N 0 3 266.370 2.226 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000527768126 330281813 /nfs/dbraw/zinc/28/18/13/330281813.db2.gz FXYDWZVIVPXQOZ-KFWWJZLASA-N 0 3 291.439 2.372 20 30 CEEDHN C[C@H](CNC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1F ZINC000424142589 330284918 /nfs/dbraw/zinc/28/49/18/330284918.db2.gz PWLMYLLAEIOLFB-QMTHXVAHSA-N 0 3 295.333 2.206 20 30 CEEDHN C[C@]1(CNC(=O)[C@@H](N)CCCC#N)CCCc2ccccc21 ZINC000424169598 330312094 /nfs/dbraw/zinc/31/20/94/330312094.db2.gz IMRXASFRJKESBP-FUHWJXTLSA-N 0 3 299.418 2.418 20 30 CEEDHN CN(CC1(c2ccccc2)CC1)C(=O)[C@@H](N)CCCC#N ZINC000424177931 330317705 /nfs/dbraw/zinc/31/77/05/330317705.db2.gz VMEKXFDSAVZGPZ-HNNXBMFYSA-N 0 3 285.391 2.198 20 30 CEEDHN Cc1oc2ccccc2c1CNC(=O)[C@H](N)CCCC#N ZINC000424177840 330317783 /nfs/dbraw/zinc/31/77/83/330317783.db2.gz VBLDHUJFEPNBNM-CQSZACIVSA-N 0 3 285.347 2.379 20 30 CEEDHN CCc1ccc(NC(=O)[C@H](N)CCCC#N)cc1F ZINC000424182651 330319940 /nfs/dbraw/zinc/31/99/40/330319940.db2.gz ULVOKLOGDGIDAD-CYBMUJFWSA-N 0 3 263.316 2.348 20 30 CEEDHN CC[C@@H](c1ccncc1)N(CC)C(=O)[C@@H](N)CCCC#N ZINC000424184563 330320107 /nfs/dbraw/zinc/32/01/07/330320107.db2.gz XXGDDHGGKCTROG-GJZGRUSLSA-N 0 3 288.395 2.402 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccc2c(c1)OC(F)(F)O2 ZINC000424184600 330320251 /nfs/dbraw/zinc/32/02/51/330320251.db2.gz YBIKXNYKWKTVOT-NSHDSACASA-N 0 3 285.290 2.425 20 30 CEEDHN C#CCN1CCC(C(=O)NCC2(C3CC3)CCC2)CC1 ZINC000120170144 330386076 /nfs/dbraw/zinc/38/60/76/330386076.db2.gz JNZLFEWRWNAFLJ-UHFFFAOYSA-N 0 3 274.408 2.028 20 30 CEEDHN C=CCN(C)C[C@H](O)COc1c(C)ccc(C)c1C ZINC000121140256 330395523 /nfs/dbraw/zinc/39/55/23/330395523.db2.gz JWSWXUOVSDEIHF-HNNXBMFYSA-N 0 3 263.381 2.469 20 30 CEEDHN Cc1nc2ccccn2c1CNCC1(CC#N)CC1 ZINC000430080979 330558801 /nfs/dbraw/zinc/55/88/01/330558801.db2.gz YRQIEUYLWJFUEY-UHFFFAOYSA-N 0 3 254.337 2.426 20 30 CEEDHN CN(C(=O)[C@@H](C#N)CCc1ccccc1)C1CCN(C)CC1 ZINC000433105184 330617420 /nfs/dbraw/zinc/61/74/20/330617420.db2.gz PSPIJYFXBZMTEE-MRXNPFEDSA-N 0 3 299.418 2.312 20 30 CEEDHN CN(C)[C@@H](CC(=O)N(C)CCC#N)c1ccccc1 ZINC000433315482 330625530 /nfs/dbraw/zinc/62/55/30/330625530.db2.gz FGDSJKZSVNPUNP-AWEZNQCLSA-N 0 3 259.353 2.051 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000437822340 330709536 /nfs/dbraw/zinc/70/95/36/330709536.db2.gz OJSXHRNMOZNUSD-WBVHZDCISA-N 0 3 296.455 2.452 20 30 CEEDHN NC(=O)[C@@H]1CCCC[C@@H]1NCC#Cc1ccccc1Cl ZINC000445780334 330836267 /nfs/dbraw/zinc/83/62/67/330836267.db2.gz HHPWTLDDTVEFTR-HIFRSBDPSA-N 0 3 290.794 2.325 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(NC(C)=O)cc1 ZINC000449548647 330935730 /nfs/dbraw/zinc/93/57/30/330935730.db2.gz PGENTTCLYTXWOG-CVEARBPZSA-N 0 3 274.364 2.468 20 30 CEEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)C(=O)NCCc1ccccc1 ZINC000449581377 330938499 /nfs/dbraw/zinc/93/84/99/330938499.db2.gz ZNEPZBQQHWNDKN-XIRDDKMYSA-N 0 3 299.418 2.406 20 30 CEEDHN C=CCN(CCOC)C[C@H](Cc1ccccc1)OC ZINC000450839621 331002110 /nfs/dbraw/zinc/00/21/10/331002110.db2.gz UEWLANMBSHEHIU-INIZCTEOSA-N 0 3 263.381 2.379 20 30 CEEDHN C=CC(C)(C)C(=O)NCCN1CCCC(C)(C)C1 ZINC000451211013 331020758 /nfs/dbraw/zinc/02/07/58/331020758.db2.gz IACYDKYEIMROTH-UHFFFAOYSA-N 0 3 252.402 2.437 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451500365 331031708 /nfs/dbraw/zinc/03/17/08/331031708.db2.gz OWQXFOOQMXVICS-HUUCEWRRSA-N 0 3 294.439 2.369 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(=O)OC)c(F)c1 ZINC000451677643 331038607 /nfs/dbraw/zinc/03/86/07/331038607.db2.gz VHAIOWDNYFFVDG-CABCVRRESA-N 0 3 293.338 2.436 20 30 CEEDHN C=CCN1CC[C@H](N2CCCc3ccccc3CC2)C1=O ZINC000451722043 331040168 /nfs/dbraw/zinc/04/01/68/331040168.db2.gz YSGJTIXRMOAPCU-KRWDZBQOSA-N 0 3 284.403 2.264 20 30 CEEDHN CC(C)(C#N)CCN1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451892999 331046414 /nfs/dbraw/zinc/04/64/14/331046414.db2.gz QHBYDYPSNSSTRH-VHSXEESVSA-N 0 3 264.291 2.171 20 30 CEEDHN CCN(CCC#N)C(=O)CN[C@@H](C)c1cccc(C)c1 ZINC000452078197 331053360 /nfs/dbraw/zinc/05/33/60/331053360.db2.gz FBYLGDZUUGWJNY-AWEZNQCLSA-N 0 3 273.380 2.408 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452582700 331069641 /nfs/dbraw/zinc/06/96/41/331069641.db2.gz XPTJXITVLREYLV-YOEHRIQHSA-N 0 3 294.439 2.158 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCCc2c1cnn2C ZINC000453329500 331117558 /nfs/dbraw/zinc/11/75/58/331117558.db2.gz AJWLKILKGFQRRK-NFAWXSAZSA-N 0 3 261.369 2.121 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)NC[C@H](C)N(C)C ZINC000454485243 331147179 /nfs/dbraw/zinc/14/71/79/331147179.db2.gz MMSQRCYQCULRGE-ZDUSSCGKSA-N 0 3 291.395 2.001 20 30 CEEDHN C=C(CC)CNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000454640536 331150270 /nfs/dbraw/zinc/15/02/70/331150270.db2.gz KJJWPSOSIUAASY-CQSZACIVSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)Nc1ccnn1CCN(C)C ZINC000455656237 331174913 /nfs/dbraw/zinc/17/49/13/331174913.db2.gz KGKOJTSYTKGZLQ-ZDUSSCGKSA-N 0 3 293.415 2.311 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000456042147 331183186 /nfs/dbraw/zinc/18/31/86/331183186.db2.gz CLNYYICZFXQKBS-XUXIUFHCSA-N 0 3 263.385 2.058 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NCCN1CCCC[C@@H]1C ZINC000457459162 331223631 /nfs/dbraw/zinc/22/36/31/331223631.db2.gz PUZDCPMRVGFIJX-ARFHVFGLSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457840939 331236285 /nfs/dbraw/zinc/23/62/85/331236285.db2.gz GOBCMNJKSDCZIT-BZUAXINKSA-N 0 3 294.439 2.299 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@]2(C)CC=CCC2)CC1 ZINC000458331822 331249042 /nfs/dbraw/zinc/24/90/42/331249042.db2.gz IOMKWEYOIYTAOK-INIZCTEOSA-N 0 3 277.412 2.435 20 30 CEEDHN CC(C)(CC#N)CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000458706860 331257409 /nfs/dbraw/zinc/25/74/09/331257409.db2.gz NPYIOJYHPXDNEA-CQSZACIVSA-N 0 3 292.427 2.242 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)N(C)CC(C)(C)C#N ZINC000458776732 331259596 /nfs/dbraw/zinc/25/95/96/331259596.db2.gz NXIFGUIVYNRRTC-ZDUSSCGKSA-N 0 3 280.416 2.052 20 30 CEEDHN C=C(CC)CNC(=O)N(CCN(C)C)C1CCCC1 ZINC000459085683 331269894 /nfs/dbraw/zinc/26/98/94/331269894.db2.gz VPCZCDWXVJBYDT-UHFFFAOYSA-N 0 3 267.417 2.468 20 30 CEEDHN CCOC(=O)CCCCCN[C@@H]1CCC[C@@H]1C#N ZINC000459464533 331282954 /nfs/dbraw/zinc/28/29/54/331282954.db2.gz MMRGDVGKJAAXGK-CHWSQXEVSA-N 0 3 252.358 2.392 20 30 CEEDHN Cn1c2ccc(CNCC(C)(C)CC#N)cc2oc1=O ZINC000459727785 331296112 /nfs/dbraw/zinc/29/61/12/331296112.db2.gz HQVUSIXMJXLSOS-UHFFFAOYSA-N 0 3 273.336 2.161 20 30 CEEDHN C=CCCCCCN(C)C[C@H]1CCS(=O)(=O)C1 ZINC000488440476 332008676 /nfs/dbraw/zinc/00/86/76/332008676.db2.gz JHSMVMHVESENEN-CYBMUJFWSA-N 0 3 259.415 2.099 20 30 CEEDHN C=CCn1cccc1C(=O)NCCN1CCC[C@H](C)C1 ZINC000488501025 332014162 /nfs/dbraw/zinc/01/41/62/332014162.db2.gz PYQONWLBURTDCZ-AWEZNQCLSA-N 0 3 275.396 2.136 20 30 CEEDHN C=C(C)CNC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000488652151 332020894 /nfs/dbraw/zinc/02/08/94/332020894.db2.gz YGWUHAZFJKDOKR-OLZOCXBDSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCn1cccc1C(=O)N(CCC)CCN(C)C ZINC000488818574 332027206 /nfs/dbraw/zinc/02/72/06/332027206.db2.gz OMZJRWCKBWMXSY-UHFFFAOYSA-N 0 3 263.385 2.088 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000488965362 332035890 /nfs/dbraw/zinc/03/58/90/332035890.db2.gz LQKPTVOEHHWASU-KBPBESRZSA-N 0 3 275.396 2.086 20 30 CEEDHN C#CCN1CCC(C(=O)NC2(C)CCC(C)CC2)CC1 ZINC000490593507 332093769 /nfs/dbraw/zinc/09/37/69/332093769.db2.gz ALFUTUOJJORJNE-UHFFFAOYSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN(CCc1nnnn1-c1ccccc1)C1CCCC1 ZINC000490803604 332116947 /nfs/dbraw/zinc/11/69/47/332116947.db2.gz OQSORFWEWOETQN-UHFFFAOYSA-N 0 3 295.390 2.083 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2nc3cc(C)ccc3[nH]2)CC1 ZINC000491096488 332149174 /nfs/dbraw/zinc/14/91/74/332149174.db2.gz SVBQHFDGJDEGSL-UHFFFAOYSA-N 0 3 296.374 2.155 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2nc3ccc(C)cc3[nH]2)CC1 ZINC000491096488 332149176 /nfs/dbraw/zinc/14/91/76/332149176.db2.gz SVBQHFDGJDEGSL-UHFFFAOYSA-N 0 3 296.374 2.155 20 30 CEEDHN C#C[C@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1F ZINC000491220103 332168448 /nfs/dbraw/zinc/16/84/48/332168448.db2.gz KIHIMMRDIAVDIP-PELKAZGASA-N 0 3 264.687 2.429 20 30 CEEDHN C#C[C@H](CC)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000491315224 332188493 /nfs/dbraw/zinc/18/84/93/332188493.db2.gz LURGCTQVGGCBLU-NUEKZKHPSA-N 0 3 287.407 2.389 20 30 CEEDHN C#CCN(CC[C@H](C(=O)OC)c1ccccc1)C1CC1 ZINC000491387019 332202440 /nfs/dbraw/zinc/20/24/40/332202440.db2.gz WQMOGTHMJJLUEF-INIZCTEOSA-N 0 3 271.360 2.431 20 30 CEEDHN C#C[C@@H](NCc1ccc(OCC(=O)OCC)cc1)C(C)C ZINC000491465681 332217056 /nfs/dbraw/zinc/21/70/56/332217056.db2.gz XETHTDQIMWQYQH-MRXNPFEDSA-N 0 3 289.375 2.376 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1c(C)cccc1Cl ZINC000491620377 332246199 /nfs/dbraw/zinc/24/61/99/332246199.db2.gz DTPGZGLEFGYGNI-UHFFFAOYSA-N 0 3 292.810 2.262 20 30 CEEDHN C#C[C@@H](NC(=O)CN(CC)CC)c1ccc(Cl)cc1 ZINC000491634075 332255717 /nfs/dbraw/zinc/25/57/17/332255717.db2.gz QJMZJCQIJIEJHI-CQSZACIVSA-N 0 3 278.783 2.472 20 30 CEEDHN C#C[C@H](CC)NCc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000491662357 332271739 /nfs/dbraw/zinc/27/17/39/332271739.db2.gz BQAHEAJKCNRSSO-GXTWGEPZSA-N 0 3 275.348 2.128 20 30 CEEDHN C#C[C@@H](CC)NCc1ccc(Cl)cc1-n1cncn1 ZINC000491665877 332274269 /nfs/dbraw/zinc/27/42/69/332274269.db2.gz SGEMUQPSHGJDCY-ZDUSSCGKSA-N 0 3 274.755 2.422 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C\C1CCCCC1 ZINC000491699189 332293971 /nfs/dbraw/zinc/29/39/71/332293971.db2.gz UHIXHGVROISWAB-KHPPLWFESA-N 0 3 262.397 2.194 20 30 CEEDHN C#CCN(C)CCCNC(=S)Nc1ccccc1C ZINC000491752279 332328148 /nfs/dbraw/zinc/32/81/48/332328148.db2.gz YLIYNVYKQFGNAR-UHFFFAOYSA-N 0 3 275.421 2.237 20 30 CEEDHN C#CCNC(=O)CCN(C)C/C(C)=C\c1ccccc1 ZINC000491758934 332330622 /nfs/dbraw/zinc/33/06/22/332330622.db2.gz KOMMVUNZNYBGGT-SQFISAMPSA-N 0 3 270.376 2.161 20 30 CEEDHN C#C[C@H](NC[C@H](O)COc1cccc2[nH]ccc21)C(C)C ZINC000491775227 332340958 /nfs/dbraw/zinc/34/09/58/332340958.db2.gz XEOWSEVLWGAEAV-ZFWWWQNUSA-N 0 3 286.375 2.155 20 30 CEEDHN C#C[C@H](NC(=O)NC[C@H](C)N(C)C)c1ccc(Cl)cc1 ZINC000491785613 332348459 /nfs/dbraw/zinc/34/84/59/332348459.db2.gz SMOLWIYNVRAEJO-FZMZJTMJSA-N 0 3 293.798 2.264 20 30 CEEDHN C#CCNC(=O)CCN[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000491786519 332349140 /nfs/dbraw/zinc/34/91/40/332349140.db2.gz UFLLDABOVMAYBP-ZWNOBZJWSA-N 0 3 294.757 2.064 20 30 CEEDHN CCS[C@@H]1CCCC[C@@H]1NCC(=O)N(CC)CCC#N ZINC000190045420 333202653 /nfs/dbraw/zinc/20/26/53/333202653.db2.gz GWVGMXVRAVFBKT-UONOGXRCSA-N 0 3 297.468 2.402 20 30 CEEDHN N#CCCCOc1cccc(CN[C@@H]2C=C[C@H](CO)C2)c1 ZINC000129677473 333787115 /nfs/dbraw/zinc/78/71/15/333787115.db2.gz LRJPAAZTUQLRET-JKSUJKDBSA-N 0 3 286.375 2.396 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CCC1CC1 ZINC000135249054 334121605 /nfs/dbraw/zinc/12/16/05/334121605.db2.gz RFUIBZFWOVXCPR-DOMZBBRYSA-N 0 3 265.401 2.161 20 30 CEEDHN C=CCOCCCN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000548095115 334139363 /nfs/dbraw/zinc/13/93/63/334139363.db2.gz SOGUOCGXJXAOJK-GFCCVEGCSA-N 0 3 281.318 2.214 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@H](C)CN1CCCCC1 ZINC000079295150 334151127 /nfs/dbraw/zinc/15/11/27/334151127.db2.gz CETYPNFNUOCHOJ-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000549528875 334196265 /nfs/dbraw/zinc/19/62/65/334196265.db2.gz YVDQIYMYSXOUCD-LXTVHRRPSA-N 0 3 273.380 2.367 20 30 CEEDHN CCOC(=O)[C@@H]1CC[C@H](NC[C@@H](C)C#N)C[C@H]1C ZINC000248397648 334300112 /nfs/dbraw/zinc/30/01/12/334300112.db2.gz RYCXNUVSOAAFRN-QNWHQSFQSA-N 0 3 252.358 2.104 20 30 CEEDHN COCC[C@H](C)N1CCC(C#N)(c2ccccn2)CC1 ZINC000554565355 334439197 /nfs/dbraw/zinc/43/91/97/334439197.db2.gz QZXJGWYIMIZARA-AWEZNQCLSA-N 0 3 273.380 2.364 20 30 CEEDHN COC(=O)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000554882673 334458646 /nfs/dbraw/zinc/45/86/46/334458646.db2.gz MACLRYHHXOUIQE-OCCSQVGLSA-N 0 3 258.321 2.255 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)[C@@H](N)CC ZINC000155283302 334718596 /nfs/dbraw/zinc/71/85/96/334718596.db2.gz XUNUMRRJTBDXEL-ZDUSSCGKSA-N 0 3 250.317 2.078 20 30 CEEDHN CCC[C@@H](C#N)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000573091339 334907411 /nfs/dbraw/zinc/90/74/11/334907411.db2.gz MUWFPYOYOQKDJG-GJZGRUSLSA-N 0 3 273.380 2.488 20 30 CEEDHN COc1ccc(Cl)cc1CNC(=O)C(C)C#N ZINC000347036405 533859969 /nfs/dbraw/zinc/85/99/69/533859969.db2.gz MADCZZMYKZZAIF-QMMMGPOBSA-N 0 3 252.701 2.124 20 30 CEEDHN COc1cc(F)c([C@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347104970 533990405 /nfs/dbraw/zinc/99/04/05/533990405.db2.gz KQTJQDXUXSBZIA-IUCAKERBSA-N 0 3 280.299 2.180 20 30 CEEDHN C[C@@H]1[C@@H](C)CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000357712480 534229691 /nfs/dbraw/zinc/22/96/91/534229691.db2.gz BRKUWICYDFDMSH-UONOGXRCSA-N 0 3 285.391 2.295 20 30 CEEDHN CC(C#N)C(=O)N(CCC(F)(F)F)CC(F)(F)F ZINC000344709969 534281696 /nfs/dbraw/zinc/28/16/96/534281696.db2.gz SXBGAVCBDVHPLX-ZCFIWIBFSA-N 0 3 276.180 2.489 20 30 CEEDHN CC(C#N)C(=O)N(C)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000352791233 534281763 /nfs/dbraw/zinc/28/17/63/534281763.db2.gz YNQSTXLWJAISCV-DGCLKSJQSA-N 0 3 268.320 2.117 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000347037878 534283448 /nfs/dbraw/zinc/28/34/48/534283448.db2.gz ONSGYPUKQUXIDU-SWHYSGLUSA-N 0 3 276.311 2.322 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000067705458 518269447 /nfs/dbraw/zinc/26/94/47/518269447.db2.gz VZADYNDPZCVAMB-SQWLQELKSA-N 0 3 276.424 2.273 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000186124533 518348886 /nfs/dbraw/zinc/34/88/86/518348886.db2.gz KLVSMZDGHWWQOD-OCCSQVGLSA-N 0 3 293.436 2.452 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@@H]1c1cccc(C)c1 ZINC000055911019 518888283 /nfs/dbraw/zinc/88/82/83/518888283.db2.gz OSFZWFMBRWIKEH-OAHLLOKOSA-N 0 3 258.365 2.434 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000183032334 518893879 /nfs/dbraw/zinc/89/38/79/518893879.db2.gz DNHXMLZROVDVAD-BZNIZROVSA-N 0 3 276.355 2.341 20 30 CEEDHN C=CC[C@H](CO)NCc1nc2cc(Cl)ccc2n1C ZINC000184285391 519119452 /nfs/dbraw/zinc/11/94/52/519119452.db2.gz CHZTZRZFNLZURA-LLVKDONJSA-N 0 3 279.771 2.253 20 30 CEEDHN CCCCN(C)C(=O)C1CCN(CCCC#N)CC1 ZINC000052186750 520370470 /nfs/dbraw/zinc/37/04/70/520370470.db2.gz DLUCBNJXOPHSET-UHFFFAOYSA-N 0 3 265.401 2.261 20 30 CEEDHN N#CCc1cccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000334982423 534731859 /nfs/dbraw/zinc/73/18/59/534731859.db2.gz MZGTXLPUYYGMGL-MRXNPFEDSA-N 0 3 296.374 2.231 20 30 CEEDHN Cc1ccccc1C1(CNC(=O)C(C)C#N)CCOCC1 ZINC000347065579 534800528 /nfs/dbraw/zinc/80/05/28/534800528.db2.gz JNWKBPRHABLBDB-CQSZACIVSA-N 0 3 286.375 2.319 20 30 CEEDHN N#C[C@@H]1CCC[C@H]1NCCc1ccc2c(c1)OCCO2 ZINC000054823697 526501829 /nfs/dbraw/zinc/50/18/29/526501829.db2.gz SGFVPKOKZCBGGM-UONOGXRCSA-N 0 3 272.348 2.282 20 30 CEEDHN C=CCN1CC[C@H](N[C@H]2C[C@H](OCCCC)C2(C)C)C1=O ZINC000352828611 526516077 /nfs/dbraw/zinc/51/60/77/526516077.db2.gz OSZFUOKSHFXNPU-KKUMJFAQSA-N 0 3 294.439 2.347 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@@H](F)C2)CC1 ZINC000344784970 526594442 /nfs/dbraw/zinc/59/44/42/526594442.db2.gz BOUTWUCHNKRNEI-TZMCWYRMSA-N 0 3 283.391 2.217 20 30 CEEDHN C=CCOCC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000344602016 526702832 /nfs/dbraw/zinc/70/28/32/526702832.db2.gz IYJNCBCFMDNIPX-AWEZNQCLSA-N 0 3 290.407 2.435 20 30 CEEDHN C=CCOCCCN1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000348061916 526757240 /nfs/dbraw/zinc/75/72/40/526757240.db2.gz ZOXHDIKICYFPHE-CYBMUJFWSA-N 0 3 269.385 2.243 20 30 CEEDHN C=CCOc1ccc(CN[C@H](C)CC(N)=O)cc1Cl ZINC000344902906 526890833 /nfs/dbraw/zinc/89/08/33/526890833.db2.gz UCBPUDGGWRXCHD-SNVBAGLBSA-N 0 3 282.771 2.258 20 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C=CCCCCNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000353308175 527149316 /nfs/dbraw/zinc/14/93/16/527149316.db2.gz AUUFOHVUYQJGOO-KBPBESRZSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CC[C@H](CC)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000354780454 527164462 /nfs/dbraw/zinc/16/44/62/527164462.db2.gz GXABKSWCVQZPFR-KBPBESRZSA-N 0 3 257.337 2.029 20 30 CEEDHN CC(C)(CNCc1cc(C#N)cs1)C1(O)CCOCC1 ZINC000418133236 527169566 /nfs/dbraw/zinc/16/95/66/527169566.db2.gz MUFOFFWOQSCUSH-UHFFFAOYSA-N 0 3 294.420 2.277 20 30 CEEDHN C=CCCCN1CCN(c2cccc(C#N)n2)CC1 ZINC000355080479 527198776 /nfs/dbraw/zinc/19/87/76/527198776.db2.gz LJOKZZLQQHNURJ-UHFFFAOYSA-N 0 3 256.353 2.041 20 30 CEEDHN C=CCCC[C@@H](C)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000352544198 527249351 /nfs/dbraw/zinc/24/93/51/527249351.db2.gz OXYIEGILQLQABS-KGLIPLIRSA-N 0 3 288.457 2.087 20 30 CEEDHN C=CCCC[C@H](C)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000352544197 527273392 /nfs/dbraw/zinc/27/33/92/527273392.db2.gz OXYIEGILQLQABS-KBPBESRZSA-N 0 3 288.457 2.087 20 30 CEEDHN C=CCCC[C@H](C)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000352544199 527273535 /nfs/dbraw/zinc/27/35/35/527273535.db2.gz OXYIEGILQLQABS-UONOGXRCSA-N 0 3 288.457 2.087 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000417980150 527287835 /nfs/dbraw/zinc/28/78/35/527287835.db2.gz JYKFWUNUBRNKDF-RWMBFGLXSA-N 0 3 253.390 2.123 20 30 CEEDHN C=CCn1c(C2CC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000350805336 527306514 /nfs/dbraw/zinc/30/65/14/527306514.db2.gz ZTSJTOFOLBMIEO-CHWSQXEVSA-N 0 3 289.427 2.260 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344733914 527391056 /nfs/dbraw/zinc/39/10/56/527391056.db2.gz WHIUEBOGLBTIDF-HUUCEWRRSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCCS(=O)(=O)N(CC)CCN1CCCCCC1 ZINC000344891197 527406047 /nfs/dbraw/zinc/40/60/47/527406047.db2.gz JQTPQVBVHJVWHZ-UHFFFAOYSA-N 0 3 288.457 2.090 20 30 CEEDHN C=CCC[C@H](NC[C@H](O)COCC)c1ccco1 ZINC000353519011 527485988 /nfs/dbraw/zinc/48/59/88/527485988.db2.gz LUTSVVBBBRCPOS-STQMWFEESA-N 0 3 253.342 2.274 20 30 CEEDHN C=CCC[C@H](N[C@H]1CCN(C(C)=O)C1)c1ccco1 ZINC000353611693 527487832 /nfs/dbraw/zinc/48/78/32/527487832.db2.gz DWORWTFOEXHKPS-KBPBESRZSA-N 0 3 262.353 2.497 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)c(OC)c2)C[C@@H]1C ZINC000442889467 527931117 /nfs/dbraw/zinc/93/11/17/527931117.db2.gz KKIVEDDHIPKVMK-UONOGXRCSA-N 0 3 287.407 2.481 20 30 CEEDHN CCCN(C[C@H]1COc2ccccc2O1)C(=O)C(C)C#N ZINC000344569271 528128343 /nfs/dbraw/zinc/12/83/43/528128343.db2.gz FWCFZXHVOZNYQQ-STQMWFEESA-N 0 3 288.347 2.225 20 30 CEEDHN CC(C)c1ccccc1OCCNC(=O)C(C)C#N ZINC000347104328 528204077 /nfs/dbraw/zinc/20/40/77/528204077.db2.gz JQKRHCONXOTKQE-LBPRGKRZSA-N 0 3 260.337 2.465 20 30 CEEDHN CC(C)C[C@H](NCC(=O)NCC#N)c1cccs1 ZINC000347612335 528569773 /nfs/dbraw/zinc/56/97/73/528569773.db2.gz NIRJONGOTCPYQV-NSHDSACASA-N 0 3 265.382 2.065 20 30 CEEDHN CCN1CCC[C@H](NC(=O)c2ccc3nccnc3c2)C1 ZINC000329016540 529083037 /nfs/dbraw/zinc/08/30/37/529083037.db2.gz KHPWYJAEOPLWLZ-ZDUSSCGKSA-N 0 3 284.363 2.419 20 30 CEEDHN CC[C@@H](O)[C@@H](CC)NCc1ccc(C#N)c(F)c1 ZINC000403977999 529235553 /nfs/dbraw/zinc/23/55/53/529235553.db2.gz AFFNHUNLLNLAFG-ZIAGYGMSSA-N 0 3 250.317 2.336 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000352273778 529350938 /nfs/dbraw/zinc/35/09/38/529350938.db2.gz QMFBDFFNCBSCDP-IUODEOHRSA-N 0 3 263.385 2.059 20 30 CEEDHN C#Cc1cccc(NC(=S)NC[C@H]2CCCN2C)c1 ZINC000726480226 574426751 /nfs/dbraw/zinc/42/67/51/574426751.db2.gz NMDGEKUMFNNBGD-CQSZACIVSA-N 0 3 273.405 2.049 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1F ZINC000726858879 574431206 /nfs/dbraw/zinc/43/12/06/574431206.db2.gz XIEKLJOSACXGSN-DGCLKSJQSA-N 0 3 288.322 2.330 20 30 CEEDHN C#Cc1ccc(C(=O)N(CCN(C)C)C2CCCC2)nc1 ZINC000728982618 574474338 /nfs/dbraw/zinc/47/43/38/574474338.db2.gz JXZZXUBTWZENHE-UHFFFAOYSA-N 0 3 285.391 2.009 20 30 CEEDHN N=C(N)NN=C1CCc2c1ccc(Cl)c2Cl ZINC000729141139 574480543 /nfs/dbraw/zinc/48/05/43/574480543.db2.gz TXISCRZSNZHVPA-UHFFFAOYSA-N 0 3 257.124 2.127 20 30 CEEDHN CC(=NNC1=N[C@H]2CCCC[C@H]2N1)c1ccc(C)o1 ZINC000753934694 574520068 /nfs/dbraw/zinc/52/00/68/574520068.db2.gz JUYYPFPZDHSWBA-TXEJJXNPSA-N 0 3 260.341 2.172 20 30 CEEDHN C[C@H]1CC(N=Nc2ncnc3ccsc32)CN1C ZINC000764836234 574604160 /nfs/dbraw/zinc/60/41/60/574604160.db2.gz WVYLOHYUNPAYQL-QMMMGPOBSA-N 0 3 261.354 2.183 20 30 CEEDHN CCCCCCN(C)CC(=O)N(C)C[C@@H](C)C#N ZINC000732270360 574616748 /nfs/dbraw/zinc/61/67/48/574616748.db2.gz ORYHYOYIJFUINY-ZDUSSCGKSA-N 0 3 253.390 2.117 20 30 CEEDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)C#N ZINC000733892611 574691542 /nfs/dbraw/zinc/69/15/42/574691542.db2.gz PZYDFWZIZZYVSU-LBPRGKRZSA-N 0 3 259.353 2.261 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)CCC1=NN1CCOCC1 ZINC000734362145 574709940 /nfs/dbraw/zinc/70/99/40/574709940.db2.gz MFZKYSGKWOBJEA-HNNXBMFYSA-N 0 3 287.407 2.217 20 30 CEEDHN C=CC[C@H](NC(=O)CN(C)C(C)C)c1ccncc1 ZINC000734460288 574715732 /nfs/dbraw/zinc/71/57/32/574715732.db2.gz OJSZNWFQICAZLC-AWEZNQCLSA-N 0 3 261.369 2.155 20 30 CEEDHN C=C(C)C[NH+]1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735398247 574756613 /nfs/dbraw/zinc/75/66/13/574756613.db2.gz GBDLMFZNJPYWDC-UHFFFAOYSA-N 0 3 299.378 2.286 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000736674725 574794264 /nfs/dbraw/zinc/79/42/64/574794264.db2.gz ZXPQMEOYWCBPNZ-CQSZACIVSA-N 0 3 285.391 2.495 20 30 CEEDHN CCN(CC)c1ccc(CNC(=O)C(C)C#N)cc1F ZINC000736673590 574794487 /nfs/dbraw/zinc/79/44/87/574794487.db2.gz KUIHTTFZAQEMPW-LLVKDONJSA-N 0 3 277.343 2.448 20 30 CEEDHN C#CCCN1CCC(NC(=O)C[C@@H](C)n2cccc2)CC1 ZINC000740748813 574967821 /nfs/dbraw/zinc/96/78/21/574967821.db2.gz ZUTWFBNSOXCIGH-OAHLLOKOSA-N 0 3 287.407 2.043 20 30 CEEDHN C=C(Cl)CNC(=O)c1cccc(CN(C)C)c1 ZINC000741287574 574980413 /nfs/dbraw/zinc/98/04/13/574980413.db2.gz VEGXECOQAGVQJZ-UHFFFAOYSA-N 0 3 252.745 2.231 20 30 CEEDHN N=C(N)N=NC1CCC[C@H]1c1ccc(Cl)cc1 ZINC000741451444 574987635 /nfs/dbraw/zinc/98/76/35/574987635.db2.gz PDUDGPDORMXKSA-JTQLQIEISA-N 0 3 250.733 2.447 20 30 CEEDHN 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C#C[C@@H](CC)NCc1ccc(C(=O)NC2CC2)cc1 ZINC000809686397 632128326 /nfs/dbraw/zinc/12/83/26/632128326.db2.gz QWHKCKUNHZDBCQ-AWEZNQCLSA-N 0 3 256.349 2.080 20 30 CEEDHN Cc1nsc(N2CCN(C[Si](C)(C)C)CC2)c1C#N ZINC000810062875 632174197 /nfs/dbraw/zinc/17/41/97/632174197.db2.gz JRKWUERXXGAJDA-UHFFFAOYSA-N 0 3 294.500 2.323 20 30 CEEDHN CCOCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193392288 632179546 /nfs/dbraw/zinc/17/95/46/632179546.db2.gz CMKMCSMBLCQHKM-NSHDSACASA-N 0 3 280.711 2.024 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(CC)cc2)C1 ZINC000989491316 632186800 /nfs/dbraw/zinc/18/68/00/632186800.db2.gz FMGBLMRHFKDXIY-WMLDXEAASA-N 0 3 284.403 2.004 20 30 CEEDHN CC(C)(NCc1nc(C#N)cs1)C1CCOCC1 ZINC000810155482 632188901 /nfs/dbraw/zinc/18/89/01/632188901.db2.gz WEOMKPZLOLOFRN-UHFFFAOYSA-N 0 3 265.382 2.310 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2ccc(Cl)s2)C1 ZINC000989532978 632201452 /nfs/dbraw/zinc/20/14/52/632201452.db2.gz KTNYYOZQVARWPC-QWRGUYRKSA-N 0 3 296.823 2.156 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(F)CCCCC2)CC1 ZINC000810357527 632208563 /nfs/dbraw/zinc/20/85/63/632208563.db2.gz VCURILLEXAPELV-UHFFFAOYSA-N 0 3 268.376 2.425 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2sc(C)cc2C)C1 ZINC000989737600 632234740 /nfs/dbraw/zinc/23/47/40/632234740.db2.gz ZRLRVVOETNVVMB-GXTWGEPZSA-N 0 3 290.432 2.120 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc3cnccc32)C1 ZINC000989796109 632244071 /nfs/dbraw/zinc/24/40/71/632244071.db2.gz HMFBXLYVGLAHJR-ZFWWWQNUSA-N 0 3 293.370 2.061 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)C[C@H]3C=CCC3)CCC[C@H]12 ZINC000989942672 632285097 /nfs/dbraw/zinc/28/50/97/632285097.db2.gz KSSNMIUTBSIILH-XYJFISCASA-N 0 3 286.419 2.479 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C3C(C)(C)C3(C)C)CCC[C@@H]12 ZINC000990147343 632320960 /nfs/dbraw/zinc/32/09/60/632320960.db2.gz BOQXZBJXRBOOMZ-FZKQIMNGSA-N 0 3 288.435 2.415 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2cc(CC)ccn2)C1 ZINC001014531104 632337876 /nfs/dbraw/zinc/33/78/76/632337876.db2.gz XBNFWVLSXYCRBA-AWEZNQCLSA-N 0 3 273.380 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/nfs/dbraw/zinc/93/85/12/634938512.db2.gz XJFQOELTRLQCQN-OSAQELSMSA-N 0 3 259.353 2.155 20 30 CEEDHN CO[C@@H]1CCOC[C@H]1N[C@H](C)c1ccc(OCC#N)cc1 ZINC000903299108 635046447 /nfs/dbraw/zinc/04/64/47/635046447.db2.gz DXSIXSUIEJXNMO-DAXOMENPSA-N 0 3 290.363 2.043 20 30 CEEDHN C#C[C@@H](NC(=O)CN(C)CC(C)(C)C)c1ccccc1 ZINC000824009502 635321064 /nfs/dbraw/zinc/32/10/64/635321064.db2.gz HEIUWAPVXBKSOC-OAHLLOKOSA-N 0 3 272.392 2.455 20 30 CEEDHN CCCCCCCCCNC(=O)C[C@@H]1CNCCO1 ZINC000826597034 635792179 /nfs/dbraw/zinc/79/21/79/635792179.db2.gz BLPTYIHCLHTFEQ-CQSZACIVSA-N 0 3 270.417 2.232 20 30 CEEDHN Cc1cc(N(C)C)ccc1/C=C1\C(=O)c2ncnn2C1C ZINC000905083836 635798825 /nfs/dbraw/zinc/79/88/25/635798825.db2.gz GAZPCCKPEOPHQV-KSSSLANASA-N 0 3 282.347 2.493 20 30 CEEDHN C[C@@H](CC#N)C(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000826986264 636177807 /nfs/dbraw/zinc/17/78/07/636177807.db2.gz RRNFVYPESXWHKU-GXTWGEPZSA-N 0 3 271.364 2.056 20 30 CEEDHN CC[C@](O)(CNCC(C)(C)CC#N)C(F)(F)F ZINC000905285177 636208694 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Cc1ccc(CNC(=O)[C@H](C(C)C)N(C)C)cc1C#N ZINC000831794587 637436372 /nfs/dbraw/zinc/43/63/72/637436372.db2.gz ADBMYVBUBRRRCM-HNNXBMFYSA-N 0 3 273.380 2.069 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000876581892 650345603 /nfs/dbraw/zinc/34/56/03/650345603.db2.gz GYICXZQTVFRLKR-GFCCVEGCSA-N 0 3 295.770 2.362 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000876590165 650348038 /nfs/dbraw/zinc/34/80/38/650348038.db2.gz RKMOAQINXFDKBT-GFCCVEGCSA-N 0 3 288.725 2.393 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCCOc1ccccc1 ZINC000876602453 650355389 /nfs/dbraw/zinc/35/53/89/650355389.db2.gz OKKPINHDSCGSLT-CQSZACIVSA-N 0 3 296.798 2.384 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCc1ccccc1F ZINC000876614152 650359798 /nfs/dbraw/zinc/35/97/98/650359798.db2.gz ZLNZCFHIPROIJI-ZDUSSCGKSA-N 0 3 284.762 2.297 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000876616442 650360985 /nfs/dbraw/zinc/36/09/85/650360985.db2.gz NBOXMMACVGOFRJ-XPXVYLNCSA-N 0 3 282.815 2.493 20 30 CEEDHN CCN1CCCN(C(=O)C2(C#N)CC3(CC3)C2)[C@H](C)C1 ZINC000910271411 637967026 /nfs/dbraw/zinc/96/70/26/637967026.db2.gz WGDAXMGLEXWVCF-CYBMUJFWSA-N 0 3 275.396 2.013 20 30 CEEDHN CCN1CCCN(C(=O)[C@]2(C#N)CC23CCCC3)[C@@H](C)C1 ZINC000910272881 637969057 /nfs/dbraw/zinc/96/90/57/637969057.db2.gz YDETTYLBELKMPD-WMLDXEAASA-N 0 3 289.423 2.403 20 30 CEEDHN CC[C@H](CC(F)(F)F)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000835058829 638042873 /nfs/dbraw/zinc/04/28/73/638042873.db2.gz UODUMPOFKJUYQW-ZJUUUORDSA-N 0 3 290.285 2.296 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1N(C)C(C)=O ZINC000876663974 650387070 /nfs/dbraw/zinc/38/70/70/650387070.db2.gz JNZSUBLQPDTDDQ-NSHDSACASA-N 0 3 295.770 2.078 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)Oc1cccc(C)c1 ZINC000876682585 650397408 /nfs/dbraw/zinc/39/74/08/650397408.db2.gz KAIBKMMVPKAEIG-OCCSQVGLSA-N 0 3 296.798 2.348 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCN(C)c1ccccc1 ZINC000876709688 650408046 /nfs/dbraw/zinc/40/80/46/650408046.db2.gz XYPXIDVTJKIBBF-CQSZACIVSA-N 0 3 295.814 2.099 20 30 CEEDHN C#CCCCCCCN1CCN(c2cnn(C)c2)CC1 ZINC000876734181 650413918 /nfs/dbraw/zinc/41/39/18/650413918.db2.gz BNPDEMNULXCITK-UHFFFAOYSA-N 0 3 274.412 2.126 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccc(OC)cc1 ZINC000911991554 638511203 /nfs/dbraw/zinc/51/12/03/638511203.db2.gz QDVOVSPJYAIEQO-OAHLLOKOSA-N 0 3 276.380 2.337 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1nc(C)c(C)s1 ZINC000912055974 638525634 /nfs/dbraw/zinc/52/56/34/638525634.db2.gz KFBJFCAREQNSLK-SNVBAGLBSA-N 0 3 253.371 2.382 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1ccncc1 ZINC000876788837 650431622 /nfs/dbraw/zinc/43/16/22/650431622.db2.gz RKTVTPWDAIBJJI-OLZOCXBDSA-N 0 3 279.771 2.215 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C)cc1C ZINC000836215179 638574946 /nfs/dbraw/zinc/57/49/46/638574946.db2.gz AMSYISXLOHOVPN-UHFFFAOYSA-N 0 3 273.380 2.380 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000912301878 638636596 /nfs/dbraw/zinc/63/65/96/638636596.db2.gz ZYCTYDMWNRMNJH-LBPRGKRZSA-N 0 3 295.770 2.061 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@H]1CCC[C@H]1CC ZINC000836491009 638649390 /nfs/dbraw/zinc/64/93/90/638649390.db2.gz FMHGMJCSGHDMES-HUUCEWRRSA-N 0 3 279.428 2.067 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1cccc(O)c1 ZINC000912359395 638658442 /nfs/dbraw/zinc/65/84/42/638658442.db2.gz ODTSQVJAROTXML-AWEZNQCLSA-N 0 3 262.353 2.034 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NC[C@H](O)c1ccccc1Cl ZINC000912369931 638670782 /nfs/dbraw/zinc/67/07/82/638670782.db2.gz TVRPYAKJXDWBBW-KGLIPLIRSA-N 0 3 296.798 2.173 20 30 CEEDHN CCCCCCCC[C@@H](N)C(=O)NCc1ccnn1C ZINC000912475119 638704538 /nfs/dbraw/zinc/70/45/38/638704538.db2.gz FFCBLDFXKQVEOY-CQSZACIVSA-N 0 3 280.416 2.114 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000876874439 650468012 /nfs/dbraw/zinc/46/80/12/650468012.db2.gz FZWHHCCKISZZKJ-USWWRNFRSA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)[C@H](C)c1cccnc1 ZINC000876884130 650472816 /nfs/dbraw/zinc/47/28/16/650472816.db2.gz IXLNEXSUFMNTJX-DGCLKSJQSA-N 0 3 281.787 2.461 20 30 CEEDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)C#CC1CC1 ZINC000913097531 639200751 /nfs/dbraw/zinc/20/07/51/639200751.db2.gz NTGJFQUXBKYMOI-QAPCUYQASA-N 0 3 296.414 2.427 20 30 CEEDHN CCCN(CCN1CCCC1)C(=O)C#CC(C)(C)C ZINC000837629156 639315741 /nfs/dbraw/zinc/31/57/41/639315741.db2.gz FRTJKCYYUMTLAO-UHFFFAOYSA-N 0 3 264.413 2.370 20 30 CEEDHN CC1CCN(CCNCc2cc(C#N)cnc2Cl)CC1 ZINC000876932804 650491593 /nfs/dbraw/zinc/49/15/93/650491593.db2.gz WSYYBJIWGJDHBE-UHFFFAOYSA-N 0 3 292.814 2.428 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](CCF)C1 ZINC000876968427 650512181 /nfs/dbraw/zinc/51/21/81/650512181.db2.gz IGBMKNPSQXGZND-MNOVXSKESA-N 0 3 262.756 2.055 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)C1CCC(F)CC1 ZINC000876973240 650513859 /nfs/dbraw/zinc/51/38/59/650513859.db2.gz BZVLPQGCEDPYJK-HBIQZDMRSA-N 0 3 276.783 2.489 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000876974957 650513888 /nfs/dbraw/zinc/51/38/88/650513888.db2.gz YIJYDGDALYVPAJ-KGLIPLIRSA-N 0 3 294.782 2.136 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3cc(F)c[nH]3)CCC[C@H]12 ZINC000991911098 639765076 /nfs/dbraw/zinc/76/50/76/639765076.db2.gz SWLIKRBKSZLBQE-DZGCQCFKSA-N 0 3 277.343 2.067 20 30 CEEDHN C#CCCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000173316899 639851013 /nfs/dbraw/zinc/85/10/13/639851013.db2.gz WXCYYFGSBBVFLN-UHFFFAOYSA-N 0 3 291.439 2.307 20 30 CEEDHN C#CCCCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000174117963 639900101 /nfs/dbraw/zinc/90/01/01/639900101.db2.gz DSSXGTRWDGHKRD-OAHLLOKOSA-N 0 3 273.380 2.002 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)c3cc[nH]c3C3CC3)CCC[C@@H]12 ZINC000992120655 639965191 /nfs/dbraw/zinc/96/51/91/639965191.db2.gz AJDYJEFFULYTNV-QAPCUYQASA-N 0 3 297.402 2.252 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)Cc3cccc(C)c3)CCC[C@@H]12 ZINC000992154149 639976141 /nfs/dbraw/zinc/97/61/41/639976141.db2.gz PCOIJTSUEROMJW-MJGOQNOKSA-N 0 3 296.414 2.284 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccn(C)c3C)CCC[C@@H]12 ZINC000992159624 639977696 /nfs/dbraw/zinc/97/76/96/639977696.db2.gz JMMMDSKNOWZCKS-WBVHZDCISA-N 0 3 287.407 2.246 20 30 CEEDHN C[C@@H](NCc1cccc(C#N)n1)[C@@H](O)c1ccc(F)cc1 ZINC000877035130 650541087 /nfs/dbraw/zinc/54/10/87/650541087.db2.gz UJBVPKNFFZJDTD-BDJLRTHQSA-N 0 3 285.322 2.304 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)c3cc(C)[nH]c3C)CCC[C@@H]12 ZINC000992287633 640015581 /nfs/dbraw/zinc/01/55/81/640015581.db2.gz IAKSLOUGHXLXKE-AEFFLSMTSA-N 0 3 299.418 2.382 20 30 CEEDHN CCN(CCO)N=C/C=C\c1ccc(N(C)C)cc1 ZINC000842538180 640093687 /nfs/dbraw/zinc/09/36/87/640093687.db2.gz LWPJVFAXCRUNLU-HSTLZJKPSA-N 0 3 261.369 2.066 20 30 CEEDHN CCN(C)c1ccc(C(C)=NN(CC)CCO)cc1 ZINC000842538865 640094787 /nfs/dbraw/zinc/09/47/87/640094787.db2.gz OOKDRFQTEBSEIC-UHFFFAOYSA-N 0 3 263.385 2.181 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3c[nH]cc3C)CCC[C@@H]12 ZINC000992478375 640113072 /nfs/dbraw/zinc/11/30/72/640113072.db2.gz PIEJDBPISUJJJJ-NVXWUHKLSA-N 0 3 285.391 2.073 20 30 CEEDHN C#CCN(C(=O)NC1CCCCCC1)C1CCN(C)CC1 ZINC000913847792 640136598 /nfs/dbraw/zinc/13/65/98/640136598.db2.gz IZCCOOUHRGUMGF-UHFFFAOYSA-N 0 3 291.439 2.448 20 30 CEEDHN C#CCN(C(=O)NCCC1CCCC1)C1CCN(C)CC1 ZINC000914118399 640229571 /nfs/dbraw/zinc/22/95/71/640229571.db2.gz WXYHMKAGCKNBRJ-UHFFFAOYSA-N 0 3 291.439 2.306 20 30 CEEDHN C[C@@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)CN1C1CC1 ZINC000877093238 650568876 /nfs/dbraw/zinc/56/88/76/650568876.db2.gz GRYRNCFMZGQBGH-ZWNOBZJWSA-N 0 3 290.798 2.321 20 30 CEEDHN C=C1CCC(CNC(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000914315733 640310804 /nfs/dbraw/zinc/31/08/04/640310804.db2.gz YTSCAIGNBOTQMC-AWEZNQCLSA-N 0 3 265.401 2.126 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2CC2)[C@@H]1C ZINC000992974874 640388847 /nfs/dbraw/zinc/38/88/47/640388847.db2.gz XKYWTIIAHVJGQA-JSGCOSHPSA-N 0 3 250.386 2.332 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccoc2)[C@@H]1C ZINC000993252195 640569057 /nfs/dbraw/zinc/56/90/57/640569057.db2.gz UNROXFFTXRZATN-DZGCQCFKSA-N 0 3 276.380 2.367 20 30 CEEDHN C#CC[C@@H]1CCCN(C(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC000843999751 640574435 /nfs/dbraw/zinc/57/44/35/640574435.db2.gz QSALCMLGIUSJED-RBSFLKMASA-N 0 3 262.397 2.121 20 30 CEEDHN C#CC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC000844002117 640575074 /nfs/dbraw/zinc/57/50/74/640575074.db2.gz UTSCFKDKRNQNMI-GJZGRUSLSA-N 0 3 262.397 2.123 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2[nH]ccc2C)[C@H]1C ZINC000993300905 640575358 /nfs/dbraw/zinc/57/53/58/640575358.db2.gz YFXJXAATGJREBP-KGLIPLIRSA-N 0 3 275.396 2.482 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(C)CC2)[C@H]1C ZINC000993350421 640621147 /nfs/dbraw/zinc/62/11/47/640621147.db2.gz SHCSTQUSXOUTPV-CHWSQXEVSA-N 0 3 250.386 2.332 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccn2CC=C)[C@@H]1C ZINC000993448778 640648122 /nfs/dbraw/zinc/64/81/22/640648122.db2.gz RCEAREZQWJMIGF-JKSUJKDBSA-N 0 3 299.418 2.280 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(CC)n2)[C@@H]1C ZINC000993446837 640648397 /nfs/dbraw/zinc/64/83/97/640648397.db2.gz UXNBNMKRPDIJPU-HOCLYGCPSA-N 0 3 299.418 2.250 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@@H]1CCCN(CC)[C@H]1C ZINC000993449657 640648403 /nfs/dbraw/zinc/64/84/03/640648403.db2.gz SFJKLJGGFJTUKM-UONOGXRCSA-N 0 3 275.396 2.277 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(F)c[nH]2)[C@@H]1C ZINC000993606438 640659398 /nfs/dbraw/zinc/65/93/98/640659398.db2.gz RLSGYVWSNOFMDE-AAEUAGOBSA-N 0 3 279.359 2.313 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H]1C ZINC000993696896 640670554 /nfs/dbraw/zinc/67/05/54/640670554.db2.gz VOOTZNKZHFUDIC-WDEREUQCSA-N 0 3 295.408 2.008 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2c(C)n[nH]c2C)[C@@H]1C ZINC000994020681 640689500 /nfs/dbraw/zinc/68/95/00/640689500.db2.gz JJXVZAGAPGMJSR-KBPBESRZSA-N 0 3 290.411 2.185 20 30 CEEDHN CN(C[C@H](O)c1cccc(C#N)c1)C[C@@H](O)c1ccccc1 ZINC000844365846 640693879 /nfs/dbraw/zinc/69/38/79/640693879.db2.gz FPCFQQNYXDBQCZ-MSOLQXFVSA-N 0 3 296.370 2.257 20 30 CEEDHN C[C@@H]1CC[C@H](CN(C)C[C@H](O)c2cccc(C#N)c2)O1 ZINC000844370216 640695914 /nfs/dbraw/zinc/69/59/14/640695914.db2.gz GGMYONZSQAASSB-WQVCFCJDSA-N 0 3 274.364 2.091 20 30 CEEDHN C=C(C)CONC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000845608351 641015387 /nfs/dbraw/zinc/01/53/87/641015387.db2.gz JHRBGOLFZZUNRO-AWEZNQCLSA-N 0 3 295.358 2.235 20 30 CEEDHN C=C[C@@H](C)ONC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000845616266 641020401 /nfs/dbraw/zinc/02/04/01/641020401.db2.gz INEJGUDKPLVOHJ-BXUZGUMPSA-N 0 3 295.358 2.234 20 30 CEEDHN C#CCN(C(=O)NCC(CC)CC)C1CCN(C)CC1 ZINC000919597186 641058288 /nfs/dbraw/zinc/05/82/88/641058288.db2.gz DXQWRPFEUOSCKR-UHFFFAOYSA-N 0 3 279.428 2.162 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc2c1OCCCO2 ZINC000877266954 650646812 /nfs/dbraw/zinc/64/68/12/650646812.db2.gz NQQGBXQVEJIUKG-JTQLQIEISA-N 0 3 296.754 2.256 20 30 CEEDHN CCC(C#N)C(=O)N=c1sc2ccccc2n1C ZINC000846629876 641371470 /nfs/dbraw/zinc/37/14/70/641371470.db2.gz CZLZDXKDGJNJJG-VIFPVBQESA-N 0 3 259.334 2.217 20 30 CEEDHN C#C[C@@H]1CCCN([C@@H]2CCCN(CC(C)(C)C)C2=O)C1 ZINC000847020594 641524968 /nfs/dbraw/zinc/52/49/68/641524968.db2.gz CAEUZHQIJZALOO-HUUCEWRRSA-N 0 3 276.424 2.369 20 30 CEEDHN C#C[C@H]1CCCN(Cc2cnc3c(c2)c(C)nn3C)C1 ZINC000847024321 641530624 /nfs/dbraw/zinc/53/06/24/641530624.db2.gz QGJJQCBQKVPNEO-ZDUSSCGKSA-N 0 3 268.364 2.122 20 30 CEEDHN C#C[C@H]1CCCN([C@H](C)C(=O)N2CCc3ccccc3C2)C1 ZINC000847026630 641533969 /nfs/dbraw/zinc/53/39/69/641533969.db2.gz GDIRBOQYTVTFRM-CVEARBPZSA-N 0 3 296.414 2.305 20 30 CEEDHN C#C[C@@H]1CCCN(CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000847032871 641540006 /nfs/dbraw/zinc/54/00/06/641540006.db2.gz VQUGEVMEADBRSN-CYBMUJFWSA-N 0 3 281.359 2.223 20 30 CEEDHN C[C@@H](C#N)CNCC(C)(C)CNC(=O)OC(C)(C)C ZINC000877322160 650675539 /nfs/dbraw/zinc/67/55/39/650675539.db2.gz ZSWFJUVUOWLTCR-NSHDSACASA-N 0 3 269.389 2.287 20 30 CEEDHN C=CCCCC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877343872 650680616 /nfs/dbraw/zinc/68/06/16/650680616.db2.gz RQEAJYAJWPMJSB-HNNXBMFYSA-N 0 3 258.365 2.173 20 30 CEEDHN Cc1cc(C(=O)OC[C@H](C)N2CCCCC2)ncc1C#N ZINC000847962497 641852062 /nfs/dbraw/zinc/85/20/62/641852062.db2.gz GWBTXLMYLKNVOH-ZDUSSCGKSA-N 0 3 287.363 2.293 20 30 CEEDHN CN(C)c1ccc(F)cc1NC(=O)[C@@H](N)CCCCC#N ZINC000877387035 650698990 /nfs/dbraw/zinc/69/89/90/650698990.db2.gz XPSBZWPPFDYMLX-LBPRGKRZSA-N 0 3 292.358 2.241 20 30 CEEDHN C=C[C@@H](C)O[N-]C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848245180 641933323 /nfs/dbraw/zinc/93/33/23/641933323.db2.gz IRNQEBHCAPBNEM-UKRRQHHQSA-N 0 3 274.364 2.131 20 30 CEEDHN C=C[C@@H](C)O[N-]C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848245180 641933330 /nfs/dbraw/zinc/93/33/30/641933330.db2.gz IRNQEBHCAPBNEM-UKRRQHHQSA-N 0 3 274.364 2.131 20 30 CEEDHN CN(CCc1ccccc1F)C(=O)[C@H](N)CCCCC#N ZINC000848397699 641978178 /nfs/dbraw/zinc/97/81/78/641978178.db2.gz JQXDRUXYHWECAU-OAHLLOKOSA-N 0 3 291.370 2.238 20 30 CEEDHN O=c1[nH]ncc(N=NC2CCCN3CCCC[C@@H]23)c1Cl ZINC000848404370 641979856 /nfs/dbraw/zinc/97/98/56/641979856.db2.gz JMYJAFCKEZLPIR-NSHDSACASA-N 0 3 295.774 2.252 20 30 CEEDHN C#C[C@H]1CCCN(Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000848923097 642195754 /nfs/dbraw/zinc/19/57/54/642195754.db2.gz FYAYLFLHAWHXOT-ZDUSSCGKSA-N 0 3 284.338 2.252 20 30 CEEDHN C#CCOc1ccccc1CN(C[C@@H](C)O)C1CC1 ZINC000848928890 642198883 /nfs/dbraw/zinc/19/88/83/642198883.db2.gz QCXYKYWIDKAGAG-CYBMUJFWSA-N 0 3 259.349 2.044 20 30 CEEDHN C=CCC1(NC(=O)N[C@@H]2CCN(C)[C@H]2C)CCCC1 ZINC000925341710 642205361 /nfs/dbraw/zinc/20/53/61/642205361.db2.gz IGXOFMXDDLRVDD-QWHCGFSZSA-N 0 3 265.401 2.267 20 30 CEEDHN C=CCC1(NC(=O)N[C@H]2CCN(C)[C@@H]2C)CCCC1 ZINC000925341709 642205396 /nfs/dbraw/zinc/20/53/96/642205396.db2.gz IGXOFMXDDLRVDD-OLZOCXBDSA-N 0 3 265.401 2.267 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc(C)nc(C)c2)CC1 ZINC000997598024 642310288 /nfs/dbraw/zinc/31/02/88/642310288.db2.gz BGOPKDYISSRYIO-HNNXBMFYSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2c[nH]cc2C)CC1 ZINC000998197861 642373183 /nfs/dbraw/zinc/37/31/83/642373183.db2.gz MHGCPHSGIGWEAX-HNNXBMFYSA-N 0 3 287.407 2.273 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2(C)CC2)C1 ZINC000998804293 642434218 /nfs/dbraw/zinc/43/42/18/642434218.db2.gz ILVDQIDLEKVNSK-UHFFFAOYSA-N 0 3 256.777 2.118 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCc3ccccc3OC2)n1 ZINC000877502927 650754582 /nfs/dbraw/zinc/75/45/82/650754582.db2.gz WKMLEKDLJXTGPJ-INIZCTEOSA-N 0 3 279.343 2.437 20 30 CEEDHN CC(=O)NC1(C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC001000041060 642530283 /nfs/dbraw/zinc/53/02/83/642530283.db2.gz CGNIFTKMNQEBBQ-UHFFFAOYSA-N 0 3 297.402 2.439 20 30 CEEDHN CC1(C)CCN(CCNC(=O)c2cscc2C#N)C1 ZINC000890069530 642570245 /nfs/dbraw/zinc/57/02/45/642570245.db2.gz YUFGLKADYDUSSJ-UHFFFAOYSA-N 0 3 277.393 2.081 20 30 CEEDHN CC[S@](=O)CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000850131361 642588115 /nfs/dbraw/zinc/58/81/15/642588115.db2.gz SUGQGZVOPPTIFQ-IBGZPJMESA-N 0 3 276.405 2.100 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2ccc3cc[nH]c3n2)CC1 ZINC001000809757 642653463 /nfs/dbraw/zinc/65/34/63/642653463.db2.gz AOPYKXLGMVLUGP-UHFFFAOYSA-N 0 3 296.374 2.111 20 30 CEEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCC[C@H](OC)C2)CC1 ZINC001001111548 642688331 /nfs/dbraw/zinc/68/83/31/642688331.db2.gz RKNHUAPOGRNLSQ-HOTGVXAUSA-N 0 3 292.423 2.126 20 30 CEEDHN CC#CCN1CCC(CNC(=O)c2cccc(C)c2)CC1 ZINC001001166862 642693146 /nfs/dbraw/zinc/69/31/46/642693146.db2.gz BRGQIFGICKOUDZ-UHFFFAOYSA-N 0 3 284.403 2.460 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2cc(C3CC3)no2)CC1 ZINC001001217426 642700079 /nfs/dbraw/zinc/70/00/79/642700079.db2.gz YBQKHCOOYVBHAU-UHFFFAOYSA-N 0 3 287.363 2.100 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2cnc(CC)s2)CC1 ZINC001001490852 642724113 /nfs/dbraw/zinc/72/41/13/642724113.db2.gz ZPGIHXKCSWRKFK-UHFFFAOYSA-N 0 3 291.420 2.253 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2ccc(C(C)C)nc2)CC1 ZINC001001478438 642725762 /nfs/dbraw/zinc/72/57/62/642725762.db2.gz CITOPNJGLMMZLO-UHFFFAOYSA-N 0 3 299.418 2.280 20 30 CEEDHN CC#CCN1CCC(CNC(=O)c2cocc2C)CC1 ZINC001001727437 642734891 /nfs/dbraw/zinc/73/48/91/642734891.db2.gz TXJWRGMZOOLXLA-UHFFFAOYSA-N 0 3 274.364 2.053 20 30 CEEDHN C#CCN1CCC(CNC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001001741225 642735966 /nfs/dbraw/zinc/73/59/66/642735966.db2.gz IGSFFAWNNGWOST-OAHLLOKOSA-N 0 3 276.424 2.274 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2ccc(F)c(C)c2)CC1 ZINC001001780783 642736105 /nfs/dbraw/zinc/73/61/05/642736105.db2.gz YOCRWZXZYDFFCR-UHFFFAOYSA-N 0 3 288.366 2.209 20 30 CEEDHN Cc1ccc([C@@H]2C[C@H]2C(=O)C(C#N)C(=O)NC2CC2)cc1C ZINC000850760137 642777088 /nfs/dbraw/zinc/77/70/88/642777088.db2.gz WFSKTQBHINORRR-XHSDSOJGSA-N 0 3 296.370 2.394 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001016314241 642796957 /nfs/dbraw/zinc/79/69/57/642796957.db2.gz QFLYOWUSHVZZPK-CKDBGZEDSA-N 0 3 274.408 2.171 20 30 CEEDHN N#Cc1cc(CNCCOC(F)(F)F)cs1 ZINC000922044854 642855324 /nfs/dbraw/zinc/85/53/24/642855324.db2.gz VUHJUZWLPOOWHG-UHFFFAOYSA-N 0 3 250.245 2.246 20 30 CEEDHN N#CC(C(=O)CCCF)C(=O)NCc1ccc(F)cc1F ZINC000850977489 642862599 /nfs/dbraw/zinc/86/25/99/642862599.db2.gz WNWDYSGRDMPDDH-NSHDSACASA-N 0 3 298.264 2.040 20 30 CEEDHN CCC1(CNCc2cc(C#N)cnc2Cl)COC1 ZINC000877572826 650795214 /nfs/dbraw/zinc/79/52/14/650795214.db2.gz LKNKCFNXDUHRTG-UHFFFAOYSA-N 0 3 265.744 2.123 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001016400841 642948017 /nfs/dbraw/zinc/94/80/17/642948017.db2.gz BQSUMVBIUKTAMD-ZDUSSCGKSA-N 0 3 282.343 2.260 20 30 CEEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2coc(C)n2)C1 ZINC001007187092 642977091 /nfs/dbraw/zinc/97/70/91/642977091.db2.gz HAQBDHJVNJAETQ-ZDUSSCGKSA-N 0 3 277.368 2.143 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[C@H](C#N)C1 ZINC000922256125 642985832 /nfs/dbraw/zinc/98/58/32/642985832.db2.gz KLJPIOQDHPONHQ-ZIAGYGMSSA-N 0 3 292.427 2.052 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cccn3ccnc23)CC1 ZINC001003782753 642992340 /nfs/dbraw/zinc/99/23/40/642992340.db2.gz ORSLBDPZICIJBR-UHFFFAOYSA-N 0 3 298.390 2.105 20 30 CEEDHN COC(OC)[C@@H](C)NCc1c(C)cc(C#N)cc1C ZINC000922313720 643021506 /nfs/dbraw/zinc/02/15/06/643021506.db2.gz AVMMIYHYKSUAAI-GFCCVEGCSA-N 0 3 262.353 2.272 20 30 CEEDHN N#Cc1cnc(Cl)c(CNCCCC2(O)CCC2)c1 ZINC000877596428 650807381 /nfs/dbraw/zinc/80/73/81/650807381.db2.gz RNIFJJAKABYYTB-UHFFFAOYSA-N 0 3 279.771 2.391 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cn3c(cccc3C)n2)CC1 ZINC001004114482 643062238 /nfs/dbraw/zinc/06/22/38/643062238.db2.gz ROTQQGAIVNJHDD-UHFFFAOYSA-N 0 3 298.390 2.023 20 30 CEEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)c1ccccn1 ZINC000851715215 643121516 /nfs/dbraw/zinc/12/15/16/643121516.db2.gz NWZJLNATUKBCND-INIZCTEOSA-N 0 3 267.332 2.119 20 30 CEEDHN C#CCOCCN1CCC(Oc2ccc(OC)cc2)CC1 ZINC000851728246 643129945 /nfs/dbraw/zinc/12/99/45/643129945.db2.gz JTTGPXRTYDBDQV-UHFFFAOYSA-N 0 3 289.375 2.188 20 30 CEEDHN C#C[C@H](NC[C@@H](OC)C1CCCCC1)[C@@H]1CCCO1 ZINC000851949328 643238901 /nfs/dbraw/zinc/23/89/01/643238901.db2.gz CQWLQGAQRDAKJM-HRCADAONSA-N 0 3 265.397 2.352 20 30 CEEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000852098727 643302110 /nfs/dbraw/zinc/30/21/10/643302110.db2.gz UQPHLSGNPGKKKC-WBMJQRKESA-N 0 3 287.363 2.115 20 30 CEEDHN C#C[C@@](C)(CC)NCC(=O)NCc1cccc(OCC)c1 ZINC000852101876 643305789 /nfs/dbraw/zinc/30/57/89/643305789.db2.gz TYNPKNZPOWPBQK-KRWDZBQOSA-N 0 3 288.391 2.093 20 30 CEEDHN C#C[C@](C)(CC)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852102584 643307004 /nfs/dbraw/zinc/30/70/04/643307004.db2.gz ZKHUGJNBWFAIQN-ZIAGYGMSSA-N 0 3 262.309 2.020 20 30 CEEDHN C#CCOCCN1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000852210008 643352759 /nfs/dbraw/zinc/35/27/59/643352759.db2.gz VZKYFSRCJQAEBZ-MRXNPFEDSA-N 0 3 261.340 2.439 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2ccc3[nH]ccc3n2)CC1 ZINC001005710006 643433069 /nfs/dbraw/zinc/43/30/69/643433069.db2.gz ABHJHULNOJXYGV-UHFFFAOYSA-N 0 3 298.390 2.285 20 30 CEEDHN N#Cc1cc(CN[C@]23C[C@H]2COC32CCC2)cs1 ZINC000923029620 643524441 /nfs/dbraw/zinc/52/44/41/643524441.db2.gz CSGYIUSYIRICJF-SMDDNHRTSA-N 0 3 260.362 2.421 20 30 CEEDHN N#CCCNC(=O)CN1CCC[C@@H](C2CCCCC2)C1 ZINC000852725398 643525069 /nfs/dbraw/zinc/52/50/69/643525069.db2.gz DHEZZMISXGXNMM-OAHLLOKOSA-N 0 3 277.412 2.309 20 30 CEEDHN C#CCCN(CCOC)CCOc1ccccc1F ZINC000852752909 643538171 /nfs/dbraw/zinc/53/81/71/643538171.db2.gz QBOVKUSVRRKHHR-UHFFFAOYSA-N 0 3 265.328 2.176 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2conc2C2CC2)CC1 ZINC001005972976 643590229 /nfs/dbraw/zinc/59/02/29/643590229.db2.gz BQIRXIMEMVFRDP-UHFFFAOYSA-N 0 3 289.379 2.274 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1[C@@H]2CC[C@H]1CN(C)CC2)OCC ZINC000923273627 643632369 /nfs/dbraw/zinc/63/23/69/643632369.db2.gz LETHNXQKLVEKFQ-ILXRZTDVSA-N 0 3 280.412 2.053 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923272062 643632615 /nfs/dbraw/zinc/63/26/15/643632615.db2.gz VRKKQHLEDCRRMU-IPYPFGDCSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CC23CCC3)CC1 ZINC001006061192 643677211 /nfs/dbraw/zinc/67/72/11/643677211.db2.gz RICVNNRQMWIQKJ-AWEZNQCLSA-N 0 3 262.397 2.285 20 30 CEEDHN C#CCN1CCC(CN2CCc3ccccc32)CC1 ZINC000111307728 643765505 /nfs/dbraw/zinc/76/55/05/643765505.db2.gz NCXYHSUKMDQSIM-UHFFFAOYSA-N 0 3 254.377 2.394 20 30 CEEDHN CC(=NOC[C@H]1CCCCN1C(C)C)c1cnn(C)c1 ZINC000853660855 643851744 /nfs/dbraw/zinc/85/17/44/643851744.db2.gz LRWDFSMCVKBBPU-OAHLLOKOSA-N 0 3 278.400 2.424 20 30 CEEDHN C#CC[C@H](NC(=O)N(CC)[C@@H]1CCN(C)C1)c1ccccc1 ZINC000853910506 643941543 /nfs/dbraw/zinc/94/15/43/643941543.db2.gz KRKQIBRMOACAOP-SJORKVTESA-N 0 3 299.418 2.487 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC=C(C(C)(C)C)CC1 ZINC000838623809 643980466 /nfs/dbraw/zinc/98/04/66/643980466.db2.gz PEIOPLRLCHXVAT-UHFFFAOYSA-N 0 3 291.439 2.329 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1ccc2c(c1)CCC2 ZINC000838624244 643981026 /nfs/dbraw/zinc/98/10/26/643981026.db2.gz OETCGBCFVJRYJQ-UHFFFAOYSA-N 0 3 285.391 2.252 20 30 CEEDHN CC(C)(C)C1CC(C(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000838785971 644021584 /nfs/dbraw/zinc/02/15/84/644021584.db2.gz AJKFTYWFXOEHIA-BPCQOVAHSA-N 0 3 276.380 2.390 20 30 CEEDHN CC(C)C#CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000854483799 644068002 /nfs/dbraw/zinc/06/80/02/644068002.db2.gz JBIWNRWYPBAZAU-RDJZCZTQSA-N 0 3 284.403 2.425 20 30 CEEDHN C#C[C@@](C)(CC)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000854696808 644134322 /nfs/dbraw/zinc/13/43/22/644134322.db2.gz NRIXEXCNLHURLS-WMZOPIPTSA-N 0 3 299.418 2.212 20 30 CEEDHN C#C[C@@](C)(CC)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000854697352 644134567 /nfs/dbraw/zinc/13/45/67/644134567.db2.gz AEBHZJUVAOJRJF-HIFRSBDPSA-N 0 3 250.386 2.169 20 30 CEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](C)SC ZINC000103330263 644187345 /nfs/dbraw/zinc/18/73/45/644187345.db2.gz AABVEENMMKZBLS-NXEZZACHSA-N 0 3 292.360 2.094 20 30 CEEDHN Cc1ccccc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753937608 644297772 /nfs/dbraw/zinc/29/77/72/644297772.db2.gz FCAPIIFYPKDFLN-KBPBESRZSA-N 0 3 256.353 2.189 20 30 CEEDHN C[C@@H]1CC(=Nn2cnnc2-c2ccccc2)CN1C1CC1 ZINC000753957015 644303251 /nfs/dbraw/zinc/30/32/51/644303251.db2.gz ZZLUZWKSAGRAHE-GFCCVEGCSA-N 0 3 281.363 2.406 20 30 CEEDHN C#CCNC(=O)CN[C@H](CC(C)C)c1cccs1 ZINC000754295631 644354171 /nfs/dbraw/zinc/35/41/71/644354171.db2.gz HMEJOGRDRYLLOQ-GFCCVEGCSA-N 0 3 264.394 2.174 20 30 CEEDHN CCN(CCC#N)C(=O)CN[C@@H](C)c1ccc(C)s1 ZINC000754670055 644412665 /nfs/dbraw/zinc/41/26/65/644412665.db2.gz KJPCTORIOZXHDC-LBPRGKRZSA-N 0 3 279.409 2.469 20 30 CEEDHN C#CCNC(=O)CN[C@H](C)c1csc2ccccc21 ZINC000754735258 644422506 /nfs/dbraw/zinc/42/25/06/644422506.db2.gz SHXZQXFSFQRFAX-LLVKDONJSA-N 0 3 272.373 2.301 20 30 CEEDHN CC(C)(O)[C@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000877834981 650927041 /nfs/dbraw/zinc/92/70/41/650927041.db2.gz CNLDICXWXVLLHP-NSHDSACASA-N 0 3 250.367 2.213 20 30 CEEDHN COC[C@H](C)CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000756234122 644618554 /nfs/dbraw/zinc/61/85/54/644618554.db2.gz QJYLRWIHIIXXSV-DGCLKSJQSA-N 0 3 274.320 2.007 20 30 CEEDHN Cc1ccc([C@H](C)[NH2+]C2CCN(CC#N)CC2)c([O-])c1 ZINC000756556001 644665877 /nfs/dbraw/zinc/66/58/77/644665877.db2.gz YOWRLGLEMXOLJE-ZDUSSCGKSA-N 0 3 273.380 2.339 20 30 CEEDHN CN1CCCc2cc(C=NNC3CCOCC3)ccc21 ZINC000757586385 644822416 /nfs/dbraw/zinc/82/24/16/644822416.db2.gz VQYBMHVHEYEALO-UHFFFAOYSA-N 0 3 273.380 2.172 20 30 CEEDHN COCC#CCN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000757651260 644830659 /nfs/dbraw/zinc/83/06/59/644830659.db2.gz QSCZDRQCXSCJQF-UHFFFAOYSA-N 0 3 272.392 2.367 20 30 CEEDHN C#CCOc1ccccc1CN(C)CC1(O)CCC1 ZINC000757845345 644850622 /nfs/dbraw/zinc/85/06/22/644850622.db2.gz XKWKNZPQNAABMV-UHFFFAOYSA-N 0 3 259.349 2.045 20 30 CEEDHN C#CCCOc1ccc(CNC2COC(C)(C)OC2)cc1 ZINC000758045871 644876866 /nfs/dbraw/zinc/87/68/66/644876866.db2.gz NGVGKFUSLDRPDO-UHFFFAOYSA-N 0 3 289.375 2.330 20 30 CEEDHN CCCN(CCO)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000877963692 650959875 /nfs/dbraw/zinc/95/98/75/650959875.db2.gz IVVLGVQHIDDMGA-KRWDZBQOSA-N 0 3 288.391 2.131 20 30 CEEDHN CC(C)N1CC(N=Nc2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000759201308 644997062 /nfs/dbraw/zinc/99/70/62/644997062.db2.gz LVCPECMRFDEFJV-SNVBAGLBSA-N 0 3 277.328 2.118 20 30 CEEDHN C#CCNC(=O)CN(CC)[C@@H](CC)Cc1ccccc1 ZINC000759417715 645023313 /nfs/dbraw/zinc/02/33/13/645023313.db2.gz HJXZJHXUNPYOHR-INIZCTEOSA-N 0 3 272.392 2.079 20 30 CEEDHN CCCCCCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000858110761 645064414 /nfs/dbraw/zinc/06/44/14/645064414.db2.gz ICHZYRJCXZIRTF-ZDUSSCGKSA-N 0 3 267.417 2.493 20 30 CEEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc[nH]c2=O)cc1 ZINC000858304023 645111927 /nfs/dbraw/zinc/11/19/27/645111927.db2.gz CKRKJKAKIKRMCM-GFCCVEGCSA-N 0 3 283.331 2.368 20 30 CEEDHN C#CC[C@H](COC)NCc1ccc(N(C)C(C)C)nc1 ZINC000858334698 645122451 /nfs/dbraw/zinc/12/24/51/645122451.db2.gz FUPWPZBLSLCFFZ-OAHLLOKOSA-N 0 3 275.396 2.054 20 30 CEEDHN C#CC[C@@H](COC)NCc1ccc(OC(F)F)c(OC)c1 ZINC000858335854 645124349 /nfs/dbraw/zinc/12/43/49/645124349.db2.gz KQICOHKJGUMVJJ-LBPRGKRZSA-N 0 3 299.317 2.425 20 30 CEEDHN CC(C)CCO[C@H](C)C(=O)C(C#N)c1ccncn1 ZINC000760342929 645143240 /nfs/dbraw/zinc/14/32/40/645143240.db2.gz ZILFBULHPMSCIX-NEPJUHHUSA-N 0 3 261.325 2.104 20 30 CEEDHN C[C@@H]1CCCC[C@H]1OCC(=O)C(C#N)c1ccncn1 ZINC000760360301 645147478 /nfs/dbraw/zinc/14/74/78/645147478.db2.gz XNWPUXYUOOHGGQ-TYNCELHUSA-N 0 3 273.336 2.248 20 30 CEEDHN C#CCCOC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000858883279 645282032 /nfs/dbraw/zinc/28/20/32/645282032.db2.gz MCYJKDSKDAZWRX-UHFFFAOYSA-N 0 3 274.364 2.210 20 30 CEEDHN N#CC(C(=O)[C@@H]1CCSC1)c1nc2ccccc2[nH]1 ZINC000762063405 645358821 /nfs/dbraw/zinc/35/88/21/645358821.db2.gz CWEJIIRLMHHSDQ-NXEZZACHSA-N 0 3 271.345 2.492 20 30 CEEDHN C#CCCOC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000859208241 645419699 /nfs/dbraw/zinc/41/96/99/645419699.db2.gz DAKSIWSKERNMHC-QGZVFWFLSA-N 0 3 286.375 2.401 20 30 CEEDHN CC1=CCN(CCNC(=O)Cc2ccccc2CC#N)CC1 ZINC000762702763 645440066 /nfs/dbraw/zinc/44/00/66/645440066.db2.gz KGCYRSBYXCFGOI-UHFFFAOYSA-N 0 3 297.402 2.063 20 30 CEEDHN N#CC(C(=O)[C@@H]1C[C@]12CCOC2)c1nc2ccccc2[nH]1 ZINC000764758582 645686052 /nfs/dbraw/zinc/68/60/52/645686052.db2.gz MQKLDIMROLIVFO-GDLVEWKHSA-N 0 3 281.315 2.166 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(Cl)s1 ZINC000765506926 645778648 /nfs/dbraw/zinc/77/86/48/645778648.db2.gz MQPJINAHKPNHMY-VIFPVBQESA-N 0 3 270.785 2.192 20 30 CEEDHN CCO[C@@H](C(=O)C(C#N)c1cc(C)nc(C)n1)C1CC1 ZINC000860466779 645799135 /nfs/dbraw/zinc/79/91/35/645799135.db2.gz WXOZGVXZVSFNSJ-SWLSCSKDSA-N 0 3 273.336 2.085 20 30 CEEDHN Cc1ccccc1C[C@@H](C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000860473232 645800291 /nfs/dbraw/zinc/80/02/91/645800291.db2.gz KCYTVRFYEHHCPR-IUODEOHRSA-N 0 3 284.359 2.161 20 30 CEEDHN Cc1cccc([C@@H]2C[C@H]2C(=O)C(C#N)C(=O)NC2CC2)c1 ZINC000860471916 645800513 /nfs/dbraw/zinc/80/05/13/645800513.db2.gz XEBGYYUKKZLCQS-ZNMIVQPWSA-N 0 3 282.343 2.086 20 30 CEEDHN CCC(C#N)(CC)C(=O)O[C@@H](C)CN1CCCC1 ZINC000860849155 645921905 /nfs/dbraw/zinc/92/19/05/645921905.db2.gz KRSSMRHYCJOCTD-LBPRGKRZSA-N 0 3 252.358 2.344 20 30 CEEDHN N#CCCNC(=O)CN1CCC[C@@H]1CCC1CCCC1 ZINC000767900401 646053243 /nfs/dbraw/zinc/05/32/43/646053243.db2.gz BXYDCECKRRUKOB-OAHLLOKOSA-N 0 3 277.412 2.451 20 30 CEEDHN CCCCCCCNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000861654986 646239546 /nfs/dbraw/zinc/23/95/46/646239546.db2.gz AJZVLNZXGJBUBE-OLZOCXBDSA-N 0 3 255.406 2.349 20 30 CEEDHN C#C[C@H](C)N(C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000769978046 646341733 /nfs/dbraw/zinc/34/17/33/646341733.db2.gz ODNRMFNZXHJGQA-ZDUSSCGKSA-N 0 3 285.343 2.434 20 30 CEEDHN C#CC[C@H](COC)NCc1c(C)nn(C(C)(C)C)c1C ZINC000862548851 646494462 /nfs/dbraw/zinc/49/44/62/646494462.db2.gz OXPNYGJCPKHHHZ-CQSZACIVSA-N 0 3 277.412 2.383 20 30 CEEDHN O=C(C#Cc1cccs1)NC[C@H]1CCN1C1CCCC1 ZINC000863032355 646618914 /nfs/dbraw/zinc/61/89/14/646618914.db2.gz NQOSSKVWAAZTBB-CQSZACIVSA-N 0 3 288.416 2.233 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1ccco1 ZINC000772641860 646653425 /nfs/dbraw/zinc/65/34/25/646653425.db2.gz AQHRFEIIRMMHQI-CYBMUJFWSA-N 0 3 276.336 2.227 20 30 CEEDHN CCCn1nc(C)c(C=NNc2ccnc(C)c2)c1C ZINC000863159705 646658413 /nfs/dbraw/zinc/65/84/13/646658413.db2.gz YWKAPCYFHLJVQC-UHFFFAOYSA-N 0 3 271.368 2.481 20 30 CEEDHN C#C[C@H](N[C@@H](C)Cc1ccn(C(C)C)n1)[C@@H]1CCCO1 ZINC000775571455 646967542 /nfs/dbraw/zinc/96/75/42/646967542.db2.gz HKGAJBUNVLQELQ-BPUTZDHNSA-N 0 3 275.396 2.165 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)c1sccc1CC#N ZINC000864608415 647061720 /nfs/dbraw/zinc/06/17/20/647061720.db2.gz IQYCSBNAIAPHLJ-GFCCVEGCSA-N 0 3 277.393 2.028 20 30 CEEDHN C#CCCCCCC(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000780675173 647458775 /nfs/dbraw/zinc/45/87/75/647458775.db2.gz NPMSPKYXOSNLEU-UONOGXRCSA-N 0 3 282.453 2.074 20 30 CEEDHN CCCC[C@@H](ON=C(C)C)C(=O)NC[C@@H]1CCCN1C ZINC000780980136 647487691 /nfs/dbraw/zinc/48/76/91/647487691.db2.gz MNEUJRMAQWACNL-UONOGXRCSA-N 0 3 283.416 2.168 20 30 CEEDHN Cn1ccc(CC(=O)C(C#N)c2nc3ccccc3s2)n1 ZINC000782577578 647637300 /nfs/dbraw/zinc/63/73/00/647637300.db2.gz PTSLCJOPZCZLCI-NSHDSACASA-N 0 3 296.355 2.449 20 30 CEEDHN C=CCNC(=O)C(C#N)C(=O)CCCc1ccsc1 ZINC000783353688 647709733 /nfs/dbraw/zinc/70/97/33/647709733.db2.gz YLRSJFXQUIVDSE-GFCCVEGCSA-N 0 3 276.361 2.082 20 30 CEEDHN Cc1nn(-c2ccncc2)cc1CN=Nc1ccccn1 ZINC000783803622 647766618 /nfs/dbraw/zinc/76/66/18/647766618.db2.gz BOIQPQVTJPGWQG-UHFFFAOYSA-N 0 3 278.319 2.417 20 30 CEEDHN Cc1ccc(NN=Cc2cc(-n3ccnc3)cs2)nn1 ZINC000783842593 647770072 /nfs/dbraw/zinc/77/00/72/647770072.db2.gz UVGLUESYMMRUCG-UHFFFAOYSA-N 0 3 284.348 2.478 20 30 CEEDHN C#CCSCC(=O)OC[C@@H]1CCCCN1C(C)C ZINC000885899816 647794463 /nfs/dbraw/zinc/79/44/63/647794463.db2.gz GIVFHTUWFYYCOS-ZDUSSCGKSA-N 0 3 269.410 2.159 20 30 CEEDHN C[C@@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1cnccn1 ZINC000866615383 647842707 /nfs/dbraw/zinc/84/27/07/647842707.db2.gz PXTBNBVATQCVJD-IAQYHMDHSA-N 0 3 264.332 2.166 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1coc(C#N)c1 ZINC000867910591 647986815 /nfs/dbraw/zinc/98/68/15/647986815.db2.gz MNFKJDKZKUORHD-ZDUSSCGKSA-N 0 3 275.352 2.001 20 30 CEEDHN CC(C)(C#N)CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000786314365 648000465 /nfs/dbraw/zinc/00/04/65/648000465.db2.gz UCSFBRUQMPEBNL-LBPRGKRZSA-N 0 3 269.304 2.274 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CCCCO2)c1 ZINC000121962209 648022748 /nfs/dbraw/zinc/02/27/48/648022748.db2.gz PIBVOWPNVVUKBV-KBPBESRZSA-N 0 3 286.331 2.212 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cccc2cccc(O)c21 ZINC000868581960 648181943 /nfs/dbraw/zinc/18/19/43/648181943.db2.gz PPFJJJUXLDVFRF-UHFFFAOYSA-N 0 3 296.370 2.230 20 30 CEEDHN CN1CCc2cc(C=NN[C@@H](CO)c3ccccc3)ccc21 ZINC000788456380 648188667 /nfs/dbraw/zinc/18/86/67/648188667.db2.gz AACPHPILFJPEAA-KRWDZBQOSA-N 0 3 295.386 2.336 20 30 CEEDHN CC1(C)CCCN1CCNC(=O)c1sccc1CC#N ZINC000868809642 648273998 /nfs/dbraw/zinc/27/39/98/648273998.db2.gz ZQVSLJQSTQYVSN-UHFFFAOYSA-N 0 3 291.420 2.418 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000792390664 648643680 /nfs/dbraw/zinc/64/36/80/648643680.db2.gz TWYXLQNBSNFWQI-CQSZACIVSA-N 0 3 280.343 2.001 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC000870135425 648711228 /nfs/dbraw/zinc/71/12/28/648711228.db2.gz ZGGWHTYKPRIZFT-IGQOVBAYSA-N 0 3 294.395 2.205 20 30 CEEDHN C#CCN1CCC(C(=O)NCC(C)(C)CCC=C)CC1 ZINC000870281980 648757346 /nfs/dbraw/zinc/75/73/46/648757346.db2.gz UROZTADDXRYECS-UHFFFAOYSA-N 0 3 276.424 2.440 20 30 CEEDHN C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1cccc([O-])c1F ZINC000872034658 649248657 /nfs/dbraw/zinc/24/86/57/649248657.db2.gz QFNHMOQXHVWGSV-LLVKDONJSA-N 0 3 277.343 2.170 20 30 CEEDHN OCCN1CCC(N=Nc2cc(Cl)ccc2F)CC1 ZINC000872418297 649386028 /nfs/dbraw/zinc/38/60/28/649386028.db2.gz JQLWUMDXHXUCHC-UHFFFAOYSA-N 0 3 285.750 2.335 20 30 CEEDHN C#CCOCCN1CCC(Cc2nccs2)CC1 ZINC000879206307 651260284 /nfs/dbraw/zinc/26/02/84/651260284.db2.gz JYEZJWSESPRSLS-UHFFFAOYSA-N 0 3 264.394 2.047 20 30 CEEDHN O=C1CCN(CC#Cc2ccccc2)CCCCCCN1 ZINC000879255322 651271244 /nfs/dbraw/zinc/27/12/44/651271244.db2.gz JGVRKDRYGYIART-UHFFFAOYSA-N 0 3 284.403 2.420 20 30 CEEDHN C#CCN1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879699682 651341298 /nfs/dbraw/zinc/34/12/98/651341298.db2.gz APQSFOLTKRJAJM-KBPBESRZSA-N 0 3 278.396 2.341 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](C(C)(C)O)C1 ZINC000879960386 651367332 /nfs/dbraw/zinc/36/73/32/651367332.db2.gz DIVIGYVILYNADR-LSDHHAIUSA-N 0 3 296.455 2.282 20 30 CEEDHN C=CCCN1CCc2c(C(=O)OC)ccc(OC)c2C1 ZINC000880036118 651377027 /nfs/dbraw/zinc/37/70/27/651377027.db2.gz RNGBJNZLAQHIPW-UHFFFAOYSA-N 0 3 275.348 2.416 20 30 CEEDHN C=CCCC[C@@H](NCCNS(C)(=O)=O)c1ccccc1 ZINC000880390339 651434571 /nfs/dbraw/zinc/43/45/71/651434571.db2.gz YUDIBMHPRSYMFZ-OAHLLOKOSA-N 0 3 296.436 2.223 20 30 CEEDHN CC[C@@H](NCc1ccncc1C#N)[C@H]1CCCOC1 ZINC000880470209 651446661 /nfs/dbraw/zinc/44/66/61/651446661.db2.gz MRSMHDXYFSHKNU-DZGCQCFKSA-N 0 3 259.353 2.248 20 30 CEEDHN C=CCOCCN[C@H](Cn1ccnc1)c1ccccc1 ZINC000880569658 651462218 /nfs/dbraw/zinc/46/22/18/651462218.db2.gz NRIAHYPULONUMX-MRXNPFEDSA-N 0 3 271.364 2.417 20 30 CEEDHN C=C(Br)CN[C@](C)(CC)CC(=O)OC ZINC000130014037 652202789 /nfs/dbraw/zinc/20/27/89/652202789.db2.gz WZVHDUUNRRXMDW-SNVBAGLBSA-N 0 3 264.163 2.216 20 30 CEEDHN C#CC[C@H](CO)NCc1ccc(OC)c(OCC(=C)C)c1 ZINC000883123899 652369480 /nfs/dbraw/zinc/36/94/80/652369480.db2.gz OPKYNRFQYIFVEO-OAHLLOKOSA-N 0 3 289.375 2.124 20 30 CEEDHN C#CC[C@@H](CO)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000883124400 652370208 /nfs/dbraw/zinc/37/02/08/652370208.db2.gz GDRVNDBJTIDGOS-HNNXBMFYSA-N 0 3 289.375 2.116 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000883125857 652370998 /nfs/dbraw/zinc/37/09/98/652370998.db2.gz XHFJHGHJEZMBCH-NSHDSACASA-N 0 3 295.404 2.177 20 30 CEEDHN C=CCC[C@@H](NCc1cc(C)ncn1)[C@@H]1CCCO1 ZINC000883209088 652400902 /nfs/dbraw/zinc/40/09/02/652400902.db2.gz VGVFBLAIPAWWOM-CABCVRRESA-N 0 3 261.369 2.388 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cc(F)c(N(C)C)cc1F ZINC000883399737 652455872 /nfs/dbraw/zinc/45/58/72/652455872.db2.gz UJTSZIDOVARQJT-LBPRGKRZSA-N 0 3 284.350 2.448 20 30 CEEDHN C#CC1(NC(=O)NC[C@@H]2CCN2C(C)(C)C)CCCC1 ZINC000883769704 652555713 /nfs/dbraw/zinc/55/57/13/652555713.db2.gz ZVXHSECMZRJDBQ-ZDUSSCGKSA-N 0 3 277.412 2.104 20 30 CEEDHN CCOc1ccccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884048016 652659094 /nfs/dbraw/zinc/65/90/94/652659094.db2.gz UVXBAXMEICASPD-UIORMTCPSA-N 0 3 299.374 2.163 20 30 CEEDHN C[C@@H]1CCC[C@H](NC(=O)C2CC3(C2)CNC[C@@H]3C#N)[C@@H]1C ZINC000884048421 652659170 /nfs/dbraw/zinc/65/91/70/652659170.db2.gz KJUUGNJFTGDZBI-CZKNBJCBSA-N 0 3 289.423 2.067 20 30 CEEDHN CCN(C(=O)C1CC2(C1)CNC[C@H]2C#N)c1cccc(C)c1 ZINC000884068556 652693228 /nfs/dbraw/zinc/69/32/28/652693228.db2.gz VNNYURAEWQUHFN-SWKXRBFHSA-N 0 3 297.402 2.487 20 30 CEEDHN Cc1cccc(CN(C)C(=O)C2CC3(C2)CNC[C@H]3C#N)c1 ZINC000884076437 652696874 /nfs/dbraw/zinc/69/68/74/652696874.db2.gz CZOVKKANWKQKRO-UPTPFMHGSA-N 0 3 297.402 2.093 20 30 CEEDHN CC[C@@H](C)CN(CC)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884167434 652738463 /nfs/dbraw/zinc/73/84/63/652738463.db2.gz DOGMOQAVWCSIQE-RXFTYZNJSA-N 0 3 277.412 2.020 20 30 CEEDHN C[C@@H]1CCC[C@@H](NC(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884313636 652791624 /nfs/dbraw/zinc/79/16/24/652791624.db2.gz KRLHVOLKAGCAMK-LQCZDEPNSA-N 0 3 289.423 2.211 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CC=CCC2)[C@H]1CC ZINC001087500278 805593770 /nfs/dbraw/zinc/59/37/70/805593770.db2.gz GWZLZOARYNNHTR-SOUVJXGZSA-N 0 3 262.397 2.498 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccccc2)[C@H]1CC ZINC001087627424 805764192 /nfs/dbraw/zinc/76/41/92/805764192.db2.gz GIXIBAWQNZTWGE-JKSUJKDBSA-N 0 3 272.392 2.384 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccn3ccnc3c2)[C@H]1CC ZINC001087655863 805767143 /nfs/dbraw/zinc/76/71/43/805767143.db2.gz ZAYUSDMRGGOUJU-LSDHHAIUSA-N 0 3 298.390 2.103 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc(CCC)n[nH]2)[C@H]1CC ZINC001087680288 805770199 /nfs/dbraw/zinc/77/01/99/805770199.db2.gz JGCXHBKOBDDCRZ-DZGCQCFKSA-N 0 3 290.411 2.131 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)[nH]2)[C@H]1CC ZINC001087716466 805779259 /nfs/dbraw/zinc/77/92/59/805779259.db2.gz MKXNVQNNGRIPTC-CMPLNLGQSA-N 0 3 281.787 2.437 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cccn3ccnc23)[C@H]1CC ZINC001087760821 805787821 /nfs/dbraw/zinc/78/78/21/805787821.db2.gz JPDOZTDWKMXRCN-LSDHHAIUSA-N 0 3 298.390 2.103 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cccc(OC)c2)[C@H]1CC ZINC001087807944 805801316 /nfs/dbraw/zinc/80/13/16/805801316.db2.gz NOKRWYURJWEQPO-JKSUJKDBSA-N 0 3 288.391 2.464 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)c3ccco3)C2)C1 ZINC001040043685 805807752 /nfs/dbraw/zinc/80/77/52/805807752.db2.gz MZZNDSSVQJSIRP-KRWDZBQOSA-N 0 3 286.375 2.231 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)nc2C)[C@H]1CC ZINC001087838735 805810762 /nfs/dbraw/zinc/81/07/62/805810762.db2.gz RZYMDNAOVPBUGZ-JKSUJKDBSA-N 0 3 287.407 2.467 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C[C@@H]3C=CCC3)C2)C1 ZINC001040059878 805883573 /nfs/dbraw/zinc/88/35/73/805883573.db2.gz OUHCDIDUALDQIL-SJLPKXTDSA-N 0 3 286.419 2.290 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cocc3C)C[C@@H]2C1 ZINC001088071202 805900532 /nfs/dbraw/zinc/90/05/32/805900532.db2.gz VRJJIXVTUDGKMN-CABCVRRESA-N 0 3 286.375 2.005 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C)nc(C)c3)[C@@H]2C1 ZINC001075834228 805903365 /nfs/dbraw/zinc/90/33/65/805903365.db2.gz VHBUOTQUJAHCQD-DOTOQJQBSA-N 0 3 299.418 2.421 20 30 CEEDHN CC(C)C[C@@H](CNCc1ccccn1)NC(=O)C#CC1CC1 ZINC001271262129 805904546 /nfs/dbraw/zinc/90/45/46/805904546.db2.gz ZSYDWKUCJSHMKQ-KRWDZBQOSA-N 0 3 299.418 2.116 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cncc2[nH]ccc21 ZINC001038456759 805937732 /nfs/dbraw/zinc/93/77/32/805937732.db2.gz LMOGPWPRAUKXKS-ZDUSSCGKSA-N 0 3 298.390 2.333 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(C=C)cc3)C[C@@H]2C1 ZINC001088116225 805938723 /nfs/dbraw/zinc/93/87/23/805938723.db2.gz MEUQUBOCPDUDIG-MSOLQXFVSA-N 0 3 294.398 2.357 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)C3C=CC=CC=C3)[C@@H]2C1 ZINC001075842048 805952660 /nfs/dbraw/zinc/95/26/60/805952660.db2.gz UOESCPZVSWGWLF-JKSUJKDBSA-N 0 3 270.376 2.004 20 30 CEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H](C)OC)C1 ZINC001088274506 806076156 /nfs/dbraw/zinc/07/61/56/806076156.db2.gz WQINUEBVJMPFFL-OLZOCXBDSA-N 0 3 288.819 2.135 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3[nH]ccc3C3CC3)[C@@H]2C1 ZINC001075870586 806122230 /nfs/dbraw/zinc/12/22/30/806122230.db2.gz IPBGNDHLQFODFJ-DZGCQCFKSA-N 0 3 285.391 2.224 20 30 CEEDHN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCC(F)(F)F ZINC001272016112 806276877 /nfs/dbraw/zinc/27/68/77/806276877.db2.gz OAYUPNWJWVGLOU-NEPJUHHUSA-N 0 3 288.313 2.027 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(Cl)o2)[C@H]1C ZINC001088471258 806279313 /nfs/dbraw/zinc/27/93/13/806279313.db2.gz BSVOZLXZPVNUPA-MNOVXSKESA-N 0 3 280.755 2.149 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cccc(C)n1 ZINC001038059930 806485183 /nfs/dbraw/zinc/48/51/83/806485183.db2.gz XGICEPREHCJJED-CQSZACIVSA-N 0 3 273.380 2.160 20 30 CEEDHN CC/C(C)=C\C(=O)NCCNCc1ccc(C#N)cc1 ZINC001126751815 806516056 /nfs/dbraw/zinc/51/60/56/806516056.db2.gz IOBGALNYBNFSIK-RAXLEYEMSA-N 0 3 271.364 2.120 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)[C@@](C)(C=C)CC ZINC001272104370 806553277 /nfs/dbraw/zinc/55/32/77/806553277.db2.gz BJPCZROBROENGA-HNNXBMFYSA-N 0 3 250.386 2.002 20 30 CEEDHN CCC1(Nc2ccc(/N=C/N(C)C)c(C#N)c2)COC1 ZINC001168321858 806652196 /nfs/dbraw/zinc/65/21/96/806652196.db2.gz ORVKGLQBKIHYRZ-GZTJUZNOSA-N 0 3 272.352 2.371 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(F)c(C)c3)[C@@H]2C1 ZINC001076197143 806822853 /nfs/dbraw/zinc/82/28/53/806822853.db2.gz XXTCWLBPFFRJQE-GOEBONIOSA-N 0 3 288.366 2.466 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc2nccnc2c1 ZINC001039004491 802314073 /nfs/dbraw/zinc/31/40/73/802314073.db2.gz FXHNHROCLPNZHO-AWEZNQCLSA-N 0 3 296.374 2.010 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001039024688 802367723 /nfs/dbraw/zinc/36/77/23/802367723.db2.gz UDVGGTHGFASJST-OAHLLOKOSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCN(C)CCNC(=O)Cc1cccc2cnccc21 ZINC001266288219 802383869 /nfs/dbraw/zinc/38/38/69/802383869.db2.gz CXUDTGOZVNVAKM-UHFFFAOYSA-N 0 3 283.375 2.011 20 30 CEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(CC(=C)C)C1 ZINC001266322039 802437084 /nfs/dbraw/zinc/43/70/84/802437084.db2.gz ZHSPERARXXDGJL-ZDUSSCGKSA-N 0 3 250.386 2.355 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H](OCC)C(C)C)C1 ZINC001266322762 802438069 /nfs/dbraw/zinc/43/80/69/802438069.db2.gz NFYJKOFFFXHRQM-HUUCEWRRSA-N 0 3 282.428 2.204 20 30 CEEDHN C=C(C)CCC(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001279370787 802459394 /nfs/dbraw/zinc/45/93/94/802459394.db2.gz KOPSVNXIINEDPW-IYBDPMFKSA-N 0 3 299.418 2.328 20 30 CEEDHN C=CCOCCN(C)[C@@H](C)CNC(=O)[C@H]1CC12CCCC2 ZINC001282478239 802459578 /nfs/dbraw/zinc/45/95/78/802459578.db2.gz NMXHNRSWJTVXAV-LSDHHAIUSA-N 0 3 294.439 2.206 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1cccc(OC)c1F ZINC001266340126 802459730 /nfs/dbraw/zinc/45/97/30/802459730.db2.gz LCXLLMOUPMAXEI-UHFFFAOYSA-N 0 3 280.343 2.072 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)COC1CCC(C)CC1 ZINC001266365117 802493426 /nfs/dbraw/zinc/49/34/26/802493426.db2.gz OCRYZTSXWVKBBK-UHFFFAOYSA-N 0 3 282.428 2.206 20 30 CEEDHN O=C(C#CC1CC1)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001266370631 802499012 /nfs/dbraw/zinc/49/90/12/802499012.db2.gz IGDQDDUXQFPSFM-HIEVZWPSSA-N 0 3 292.810 2.123 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)CCC2(C)CC2)CC1 ZINC001266380220 802506646 /nfs/dbraw/zinc/50/66/46/802506646.db2.gz RJRZJHSGYMVVLU-CQSZACIVSA-N 0 3 274.408 2.171 20 30 CEEDHN C=CCN(CC)CCNC(=O)C(C)(C)C(F)(F)F ZINC001266431558 802570590 /nfs/dbraw/zinc/57/05/90/802570590.db2.gz IIMZXGZQGRVRPW-UHFFFAOYSA-N 0 3 266.307 2.199 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](C)OCCCC ZINC001266449556 802597000 /nfs/dbraw/zinc/59/70/00/802597000.db2.gz AASFGFKGBWNRNL-GJZGRUSLSA-N 0 3 282.428 2.348 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@H](CC)C(C)(C)C)C[C@@H]2C1 ZINC001279409467 802610394 /nfs/dbraw/zinc/61/03/94/802610394.db2.gz BALBNVSVDQESHV-XHSDSOJGSA-N 0 3 290.451 2.472 20 30 CEEDHN C=CCCC(=O)NCCN(C[C@H]1CC(C)(C)CO1)C1CC1 ZINC001266586304 802745910 /nfs/dbraw/zinc/74/59/10/802745910.db2.gz TVSLQAJBKMEIKN-OAHLLOKOSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN(CCNC(=O)c1ccc2[nH]nc(C)c2c1)C1CC1 ZINC001266599998 802757354 /nfs/dbraw/zinc/75/73/54/802757354.db2.gz FMIAXTUEVCMCHE-UHFFFAOYSA-N 0 3 298.390 2.252 20 30 CEEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2cocc2C)C1 ZINC001021649875 802775651 /nfs/dbraw/zinc/77/56/51/802775651.db2.gz UUQULJYQMQDNTB-GDBMZVCRSA-N 0 3 286.375 2.148 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCC(C)C)C1 ZINC001111585170 802830151 /nfs/dbraw/zinc/83/01/51/802830151.db2.gz IMTKURDNHPODCR-HOCLYGCPSA-N 0 3 262.397 2.027 20 30 CEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCCO1 ZINC001039342886 802831382 /nfs/dbraw/zinc/83/13/82/802831382.db2.gz XQCDJGIFGQTKTA-PMPSAXMXSA-N 0 3 292.423 2.197 20 30 CEEDHN Cc1cc(CNCCN(C)C(=O)C#CC(C)C)cs1 ZINC001266692615 802845308 /nfs/dbraw/zinc/84/53/08/802845308.db2.gz XLGIVBAUNYDLDU-UHFFFAOYSA-N 0 3 278.421 2.264 20 30 CEEDHN CC#CCNCCN(C)C(=O)c1cc2ccccc2nc1C ZINC001266715994 802860424 /nfs/dbraw/zinc/86/04/24/802860424.db2.gz LDIPVMFQJYBXSM-UHFFFAOYSA-N 0 3 295.386 2.228 20 30 CEEDHN C=CC(C)(C)C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001266799900 802906580 /nfs/dbraw/zinc/90/65/80/802906580.db2.gz HQIPUSQIJJOQPV-UHFFFAOYSA-N 0 3 285.391 2.318 20 30 CEEDHN C=CCN1CCCC[C@@H]1CNC(=O)/C(C)=C\CC ZINC001266836679 802933834 /nfs/dbraw/zinc/93/38/34/802933834.db2.gz CEOXKSPVXLCAOL-YLHGKKIISA-N 0 3 250.386 2.499 20 30 CEEDHN C=CCN1CCCC[C@@H]1CNC(=O)Cc1ccncc1C ZINC001266842894 802935820 /nfs/dbraw/zinc/93/58/20/802935820.db2.gz WYTAFHCPUMGJRK-MRXNPFEDSA-N 0 3 287.407 2.089 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)OCC1CC1 ZINC001279541331 803012730 /nfs/dbraw/zinc/01/27/30/803012730.db2.gz JEHVAZGGWXYUBD-FVQBIDKESA-N 0 3 292.423 2.053 20 30 CEEDHN CC#CCN[C@H](C)CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001266944353 803014594 /nfs/dbraw/zinc/01/45/94/803014594.db2.gz JREGCRMEEZXMFK-XXXXFFMBSA-N 0 3 288.435 2.176 20 30 CEEDHN CC#CCN[C@H]1CCN(C(=O)C2(C3CCC3)CCC2)C1 ZINC001267015826 803061994 /nfs/dbraw/zinc/06/19/94/803061994.db2.gz UEDPQWGSBXDIHR-HNNXBMFYSA-N 0 3 274.408 2.171 20 30 CEEDHN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2cncs2)C1 ZINC001267016766 803062464 /nfs/dbraw/zinc/06/24/64/803062464.db2.gz LLBXXMJRUWPENX-STQMWFEESA-N 0 3 293.436 2.436 20 30 CEEDHN CC#CCN[C@H]1CCN(C(=O)CCCCCC)C1 ZINC001267025580 803066709 /nfs/dbraw/zinc/06/67/09/803066709.db2.gz FYVUZUZRMQVNDK-AWEZNQCLSA-N 0 3 250.386 2.171 20 30 CEEDHN N#Cc1ccccc1CNc1ccc2c(n1)OCCNC2 ZINC001167634625 803223347 /nfs/dbraw/zinc/22/33/47/803223347.db2.gz XPYAFVBVNWLTNH-UHFFFAOYSA-N 0 3 280.331 2.047 20 30 CEEDHN C=CC(C)(C)C(=O)NCCN(C)C[C@@H](OC)C1CCCC1 ZINC001267211480 803236704 /nfs/dbraw/zinc/23/67/04/803236704.db2.gz FLMLSTAVBZWPEZ-OAHLLOKOSA-N 0 3 296.455 2.452 20 30 CEEDHN C=CCN(C)CCNC(=O)[C@H](C)c1ccccc1F ZINC001267223257 803249305 /nfs/dbraw/zinc/24/93/05/803249305.db2.gz GSUAKOXCIIZOTE-GFCCVEGCSA-N 0 3 264.344 2.163 20 30 CEEDHN C=CCN(C)CCNC(=O)c1c(C)cc(C)cc1C ZINC001267229046 803257739 /nfs/dbraw/zinc/25/77/39/803257739.db2.gz GIQONEQGCPRNQN-UHFFFAOYSA-N 0 3 260.381 2.459 20 30 CEEDHN C=CCN(C)CCNC(=O)[C@@H](C)Cc1ccccc1 ZINC001267231460 803261705 /nfs/dbraw/zinc/26/17/05/803261705.db2.gz ZSORBPCVUOEOAC-AWEZNQCLSA-N 0 3 260.381 2.099 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(CCC(=C)C)C[C@H]1OC ZINC001213390007 803318249 /nfs/dbraw/zinc/31/82/49/803318249.db2.gz NYZUXVIVAIXIPV-INMHGKMJSA-N 0 3 294.439 2.370 20 30 CEEDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1cncc(C#N)c1 ZINC000721556238 803332961 /nfs/dbraw/zinc/33/29/61/803332961.db2.gz JXXRZEPENYVNTE-CJNGLKHVSA-N 0 3 273.380 2.469 20 30 CEEDHN C#CCN(CCC)CCNC(=O)C[C@H]1CCC[C@@H](OC)C1 ZINC001267314021 803358354 /nfs/dbraw/zinc/35/83/54/803358354.db2.gz FWRRAXRXNOEIES-JKSUJKDBSA-N 0 3 294.439 2.043 20 30 CEEDHN C=C(C)CN[C@@H](CNC(=O)[C@@H](C)COC)c1ccccc1 ZINC001267350707 803399520 /nfs/dbraw/zinc/39/95/20/803399520.db2.gz HDYKFPJSZJLZHD-HOCLYGCPSA-N 0 3 290.407 2.292 20 30 CEEDHN C#CCCN[C@H](CNC(=O)c1cscn1)c1ccccc1 ZINC001267352355 803400985 /nfs/dbraw/zinc/40/09/85/803400985.db2.gz ZXGHONOGOGXQPT-CQSZACIVSA-N 0 3 299.399 2.227 20 30 CEEDHN CN(CCNCc1cccc(C#N)c1)C(=O)[C@@H]1CC12CCC2 ZINC001267435454 803464303 /nfs/dbraw/zinc/46/43/03/803464303.db2.gz YVWDISKIRMUYTH-INIZCTEOSA-N 0 3 297.402 2.296 20 30 CEEDHN C#CCNCCN(C)C(=O)[C@H](Cc1ccccc1)C(C)C ZINC001267426859 803464354 /nfs/dbraw/zinc/46/43/54/803464354.db2.gz CKUZUUPFRWFVLV-QGZVFWFLSA-N 0 3 286.419 2.183 20 30 CEEDHN CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CC3CC3)C(C)(C)[C@H]21 ZINC001087267617 803488528 /nfs/dbraw/zinc/48/85/28/803488528.db2.gz DNXUPKMLOQRORW-OIISXLGYSA-N 0 3 288.435 2.415 20 30 CEEDHN CC#CCNCCN(C)C(=O)c1cc2cccc(F)c2o1 ZINC001267471552 803497967 /nfs/dbraw/zinc/49/79/67/803497967.db2.gz KZMRXYZEQLYOIA-UHFFFAOYSA-N 0 3 288.322 2.257 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3conc3C)C[C@@H]21 ZINC001042214102 803523685 /nfs/dbraw/zinc/52/36/85/803523685.db2.gz OKIGXSAZOSUTJF-HIFRSBDPSA-N 0 3 289.379 2.096 20 30 CEEDHN C#CCCN[C@H](CNC(=O)c1oncc1C)c1ccccc1 ZINC001267524722 803525683 /nfs/dbraw/zinc/52/56/83/803525683.db2.gz FLCTVEBLRZGDLJ-OAHLLOKOSA-N 0 3 297.358 2.067 20 30 CEEDHN C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](C)COC ZINC001267533497 803531364 /nfs/dbraw/zinc/53/13/64/803531364.db2.gz AEJPOJGJVZTBDY-XUWVNRHRSA-N 0 3 294.439 2.299 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)C3(C)CC=CC3)C[C@@H]21 ZINC001042222262 803560759 /nfs/dbraw/zinc/56/07/59/803560759.db2.gz RABFVXYOIWWZPR-HOTGVXAUSA-N 0 3 286.419 2.289 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)C2CC2)C1 ZINC001112011239 803601106 /nfs/dbraw/zinc/60/11/06/803601106.db2.gz FYSJPDFDMVRXPP-QRTARXTBSA-N 0 3 274.408 2.027 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001038145123 803663182 /nfs/dbraw/zinc/66/31/82/803663182.db2.gz JAUHJFNOWJBSAY-LBPRGKRZSA-N 0 3 264.413 2.435 20 30 CEEDHN C=C[C@](C)(O)CC(=O)N1C[C@@H]2C[C@H]1CN2CCCCCC ZINC001267705425 803666624 /nfs/dbraw/zinc/66/66/24/803666624.db2.gz ZVMXDRWMYFPGPX-ZOBUZTSGSA-N 0 3 294.439 2.179 20 30 CEEDHN C=CCCCN1CC[C@@H](NC(=O)c2oc(C)nc2C)C1 ZINC001267739018 803690148 /nfs/dbraw/zinc/69/01/48/803690148.db2.gz HYXXOBLXSINCED-CYBMUJFWSA-N 0 3 277.368 2.062 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CC[C@@H]2CCCO2)C1 ZINC001267780919 803730397 /nfs/dbraw/zinc/73/03/97/803730397.db2.gz XYBKETITZVPTLI-HOTGVXAUSA-N 0 3 294.439 2.445 20 30 CEEDHN C#CCCCCC(=O)NCCNCc1ccc(C#N)s1 ZINC001125967401 803930379 /nfs/dbraw/zinc/93/03/79/803930379.db2.gz VEPOPXQCZRXYQH-UHFFFAOYSA-N 0 3 289.404 2.019 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2[nH]ccc2C2CC2)C1 ZINC001027438725 804076696 /nfs/dbraw/zinc/07/66/96/804076696.db2.gz RYFRSTWJALAHFC-CQSZACIVSA-N 0 3 285.391 2.062 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001027562979 804124898 /nfs/dbraw/zinc/12/48/98/804124898.db2.gz CFGUDMGQZBDMOE-GJZGRUSLSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001027815256 804273872 /nfs/dbraw/zinc/27/38/72/804273872.db2.gz JOPXWZHKFYMKNQ-AWEZNQCLSA-N 0 3 274.364 2.114 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccoc1CC ZINC001027856734 804302811 /nfs/dbraw/zinc/30/28/11/804302811.db2.gz URALAQAAXSTNMW-ZDUSSCGKSA-N 0 3 274.364 2.060 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc[nH]c1CC ZINC001027864069 804304774 /nfs/dbraw/zinc/30/47/74/804304774.db2.gz VMNIAMJLAJYTET-CYBMUJFWSA-N 0 3 275.396 2.347 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001027894359 804325929 /nfs/dbraw/zinc/32/59/29/804325929.db2.gz KZUMEDPRQOAVTE-QKPAOTATSA-N 0 3 274.408 2.355 20 30 CEEDHN C=CCn1cccc1C(=O)NC[C@@H]1CCCN1CC(=C)C ZINC001027937226 804352466 /nfs/dbraw/zinc/35/24/66/804352466.db2.gz PXFBHUNHPXCAAX-HNNXBMFYSA-N 0 3 287.407 2.444 20 30 CEEDHN CC(C)(C#N)CN[C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336717601 804366810 /nfs/dbraw/zinc/36/68/10/804366810.db2.gz UPAZJTFCHKIABQ-RKDXNWHRSA-N 0 3 250.264 2.236 20 30 CEEDHN C=C(C)CCN1C[C@@H]2CCN(C(=O)c3cncs3)[C@@H]2C1 ZINC001075589932 804367961 /nfs/dbraw/zinc/36/79/61/804367961.db2.gz VAATWYAGGGTQGW-QWHCGFSZSA-N 0 3 291.420 2.256 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cncc2[nH]ccc21 ZINC001027996164 804385998 /nfs/dbraw/zinc/38/59/98/804385998.db2.gz FQJJHAIKLUTDDD-ZDUSSCGKSA-N 0 3 298.390 2.333 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ncccc1C ZINC001038155077 804414912 /nfs/dbraw/zinc/41/49/12/804414912.db2.gz VQEYBRSKFJDPEL-CQSZACIVSA-N 0 3 273.380 2.160 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cc[nH]c1CCC ZINC001028089783 804446291 /nfs/dbraw/zinc/44/62/91/804446291.db2.gz NAWJJSIGCCCENP-CYBMUJFWSA-N 0 3 275.396 2.347 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001028110247 804467454 /nfs/dbraw/zinc/46/74/54/804467454.db2.gz BWRPFJRIWQIPFS-INIZCTEOSA-N 0 3 295.386 2.385 20 30 CEEDHN C=CCCC(=O)N[C@H](C)[C@H](C)NCc1cnc(C)s1 ZINC001282096637 804496891 /nfs/dbraw/zinc/49/68/91/804496891.db2.gz KLXLMTGHURJENP-WDEREUQCSA-N 0 3 281.425 2.401 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1sccc1F ZINC001268235183 804561910 /nfs/dbraw/zinc/56/19/10/804561910.db2.gz CLDICNCENUTEJK-UHFFFAOYSA-N 0 3 256.346 2.077 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)CC(C)(C)C(F)(F)F ZINC001268255722 804577360 /nfs/dbraw/zinc/57/73/60/804577360.db2.gz LGDLRXDRWUWJCH-UHFFFAOYSA-N 0 3 292.345 2.379 20 30 CEEDHN Cc1cccc(CN2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)c1 ZINC001075616558 804577778 /nfs/dbraw/zinc/57/77/78/804577778.db2.gz XALFTRIZIYWGED-BHYGNILZSA-N 0 3 297.402 2.187 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2nccnc21 ZINC001028224707 804585231 /nfs/dbraw/zinc/58/52/31/804585231.db2.gz JUCWANOSHPYCCO-ZDUSSCGKSA-N 0 3 296.374 2.010 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc(OC)c1 ZINC001028281973 804670177 /nfs/dbraw/zinc/67/01/77/804670177.db2.gz SHWMQHOQZCEAIS-OAHLLOKOSA-N 0 3 288.391 2.466 20 30 CEEDHN C[C@H](CNC(=O)[C@H](N)CCCCC#N)C(C)(C)C ZINC000691562467 815032072 /nfs/dbraw/zinc/03/20/72/815032072.db2.gz WKQFHZGRFRONPT-VXGBXAGGSA-N 0 3 253.390 2.196 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001028342844 804721369 /nfs/dbraw/zinc/72/13/69/804721369.db2.gz HVWUPLNJCCUSCE-AYCBFJCHSA-N 0 3 274.408 2.045 20 30 CEEDHN CC#CCNCCN(CC)C(=O)CCCC(C)C ZINC001268480518 804727629 /nfs/dbraw/zinc/72/76/29/804727629.db2.gz IYGKGWIDQNCLEM-UHFFFAOYSA-N 0 3 252.402 2.274 20 30 CEEDHN C#CCNCCN(CC)C(=O)c1cc2ccccc2n1CC ZINC001268499657 804770011 /nfs/dbraw/zinc/77/00/11/804770011.db2.gz ODEZWIPPQUGQET-UHFFFAOYSA-N 0 3 297.402 2.346 20 30 CEEDHN Cc1cncc(CNC/C=C\CNC(=O)C#CC(C)(C)C)c1 ZINC001268537502 804810673 /nfs/dbraw/zinc/81/06/73/804810673.db2.gz UFIIAZKWRRIFIB-WAYWQWQTSA-N 0 3 299.418 2.202 20 30 CEEDHN CC#CCNC/C=C\CNC(=O)[C@H](C)CCCC ZINC001268537940 804810999 /nfs/dbraw/zinc/81/09/99/804810999.db2.gz YQWPEYNNLMUYDT-QIAWRQBBSA-N 0 3 250.386 2.098 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccoc2Cl)C1 ZINC001028508373 804817076 /nfs/dbraw/zinc/81/70/76/804817076.db2.gz QMMBZSASOJRGQL-NSHDSACASA-N 0 3 280.755 2.008 20 30 CEEDHN CC#CCNC/C=C/CNC(=O)c1ccc2oc(C)nc2c1 ZINC001268556123 804820505 /nfs/dbraw/zinc/82/05/05/804820505.db2.gz UNLUKKUNEXREIJ-AATRIKPKSA-N 0 3 297.358 2.035 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc3occc3c2)C1 ZINC001028557547 804836982 /nfs/dbraw/zinc/83/69/82/804836982.db2.gz GOUWMDMNSBNKJF-ZDUSSCGKSA-N 0 3 282.343 2.118 20 30 CEEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)C1CC=CC1 ZINC001268725725 804945935 /nfs/dbraw/zinc/94/59/35/804945935.db2.gz VDLRLOSVIPMTLH-CQSZACIVSA-N 0 3 297.402 2.461 20 30 CEEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc2[nH]ccc2c1 ZINC001268743194 804953973 /nfs/dbraw/zinc/95/39/73/804953973.db2.gz PDIHNZWYOQUEIA-LBPRGKRZSA-N 0 3 271.364 2.404 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001269038745 805030910 /nfs/dbraw/zinc/03/09/10/805030910.db2.gz GJGRABDOWSDHPP-HIFRSBDPSA-N 0 3 264.413 2.273 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)c2ccnc(C3CC3)c2)C1 ZINC001028663656 805045309 /nfs/dbraw/zinc/04/53/09/805045309.db2.gz SAZASLUSPWYALV-CQSZACIVSA-N 0 3 297.402 2.034 20 30 CEEDHN C=CCOCC(=O)NC[C@@H]1CCN1CCC1=CCCCC1 ZINC001269211101 805083234 /nfs/dbraw/zinc/08/32/34/805083234.db2.gz RGEZJFJAFXQGAJ-INIZCTEOSA-N 0 3 292.423 2.270 20 30 CEEDHN CC#CCNC1(CNC(=O)CCc2ccc(C)cc2)CC1 ZINC001269446941 805167730 /nfs/dbraw/zinc/16/77/30/805167730.db2.gz JTKAJHANSRRSLC-UHFFFAOYSA-N 0 3 284.403 2.189 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001028853546 805311055 /nfs/dbraw/zinc/31/10/55/805311055.db2.gz VDVGFGAQOKENNN-KSTDHSDQSA-N 0 3 288.435 2.274 20 30 CEEDHN Cc1cncc(CNC[C@H]2CCCN2C(=O)C#CC(C)C)c1 ZINC001270042816 805318744 /nfs/dbraw/zinc/31/87/44/805318744.db2.gz MLBGPWWANUAAPU-QGZVFWFLSA-N 0 3 299.418 2.130 20 30 CEEDHN C#CCNCc1ccc(CNC(=O)[C@H]2CC2(C)C)cc1 ZINC001270059751 805325334 /nfs/dbraw/zinc/32/53/34/805325334.db2.gz CXKUAWOQWADFRS-OAHLLOKOSA-N 0 3 270.376 2.072 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H]2CC23CCCC3)C1 ZINC001028908316 805350673 /nfs/dbraw/zinc/35/06/73/805350673.db2.gz HZRHXHFUCJAKBB-GJZGRUSLSA-N 0 3 274.408 2.028 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)C[C@@H](C)SC)CC1 ZINC001270225464 805375759 /nfs/dbraw/zinc/37/57/59/805375759.db2.gz HXNSKRIPIKCVTB-GFCCVEGCSA-N 0 3 270.442 2.285 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001029004891 805427235 /nfs/dbraw/zinc/42/72/35/805427235.db2.gz MLLBKTSAQFZRAA-ODZFXCKXSA-N 0 3 288.435 2.274 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)c2ccoc2C(C)C)C1 ZINC001029012478 805432773 /nfs/dbraw/zinc/43/27/73/805432773.db2.gz MBFADZXIJBGKCL-CYBMUJFWSA-N 0 3 274.364 2.088 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@H](C)C2CC2)C1 ZINC001270666755 805514549 /nfs/dbraw/zinc/51/45/49/805514549.db2.gz YTVQJANDRGYLMZ-SWLSCSKDSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)[C@H]1C ZINC001088913910 807274057 /nfs/dbraw/zinc/27/40/57/807274057.db2.gz WOHHTGHILQEKFJ-UGUYLWEFSA-N 0 3 292.423 2.123 20 30 CEEDHN C#CCCCCC(=O)N(C)C[C@H]1CCN1CCCOCC ZINC001233802687 807474275 /nfs/dbraw/zinc/47/42/75/807474275.db2.gz ZAAOQMWPHOSJPP-MRXNPFEDSA-N 0 3 294.439 2.139 20 30 CEEDHN C=CCNC(=O)[C@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001272501535 807555925 /nfs/dbraw/zinc/55/59/25/807555925.db2.gz AUABSVKJECGOBY-LLVKDONJSA-N 0 3 290.329 2.343 20 30 CEEDHN C=CCN1CCC2(CC1)CN(C(=O)CCCC)C[C@H](C)O2 ZINC001111534081 807665652 /nfs/dbraw/zinc/66/56/52/807665652.db2.gz RORSHFGUQWQDCZ-HNNXBMFYSA-N 0 3 294.439 2.445 20 30 CEEDHN Cc1ccsc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001122710464 807736331 /nfs/dbraw/zinc/73/63/31/807736331.db2.gz LZZSIZVYUSEXHX-UHFFFAOYSA-N 0 3 299.399 2.448 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)[C@@H]2CC23CCC3)CC(C)(C)C1 ZINC001089508629 808014495 /nfs/dbraw/zinc/01/44/95/808014495.db2.gz XWOKFWROKIHYEC-CABCVRRESA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2c[nH]cc2C)CC(C)(C)C1 ZINC001089557939 808025435 /nfs/dbraw/zinc/02/54/35/808025435.db2.gz DJOUZEHWYVTKCQ-AWEZNQCLSA-N 0 3 287.407 2.177 20 30 CEEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1cocn1 ZINC001089619132 808074910 /nfs/dbraw/zinc/07/49/10/808074910.db2.gz KHAMSDWFYZINLT-CYBMUJFWSA-N 0 3 291.395 2.471 20 30 CEEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)c2cnco2)cc1 ZINC001272700595 808188244 /nfs/dbraw/zinc/18/82/44/808188244.db2.gz KUHYXUPWZAUQBE-ZDUSSCGKSA-N 0 3 297.358 2.279 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001015858988 808227407 /nfs/dbraw/zinc/22/74/07/808227407.db2.gz YWQPFEFMKZTGAX-DZGCQCFKSA-N 0 3 288.391 2.214 20 30 CEEDHN C#CCCN1CC(CNC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001032005825 808240053 /nfs/dbraw/zinc/24/00/53/808240053.db2.gz QQACBBUUDFVZBM-HZPDHXFCSA-N 0 3 288.435 2.274 20 30 CEEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1ncccc1C)CC2 ZINC001272715491 808248031 /nfs/dbraw/zinc/24/80/31/808248031.db2.gz LMDVEEVPIXGVBV-HNNXBMFYSA-N 0 3 299.418 2.294 20 30 CEEDHN C[C@@H](NCCNC(=O)[C@@H](C)C#N)c1ccc(F)c(Cl)c1 ZINC001124909220 808285255 /nfs/dbraw/zinc/28/52/55/808285255.db2.gz ZMSVXWYZBYSTPQ-VHSXEESVSA-N 0 3 297.761 2.406 20 30 CEEDHN C=CCCN1CC(CNC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001032142476 808306871 /nfs/dbraw/zinc/30/68/71/808306871.db2.gz MXSSHNJIAOLJQY-UHFFFAOYSA-N 0 3 299.374 2.374 20 30 CEEDHN C#CCCN1CC(CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001032213422 808333726 /nfs/dbraw/zinc/33/37/26/808333726.db2.gz MFZNYBCFVZZDRS-UHFFFAOYSA-N 0 3 282.387 2.249 20 30 CEEDHN C#CCCN1CC(CNC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001032217502 808338389 /nfs/dbraw/zinc/33/83/89/808338389.db2.gz FQWKCSBKSCQGIU-UHFFFAOYSA-N 0 3 288.435 2.274 20 30 CEEDHN C=CCN1CC[C@@]2(CNC(=O)C(=O)C(C)(C)C)CCC[C@@H]12 ZINC001107334433 808422204 /nfs/dbraw/zinc/42/22/04/808422204.db2.gz HDACYUKUDXTDEI-CXAGYDPISA-N 0 3 292.423 2.148 20 30 CEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2coc(C)c2)CC1 ZINC000997044835 808536762 /nfs/dbraw/zinc/53/67/62/808536762.db2.gz VKXPVLFNVOISFX-CQSZACIVSA-N 0 3 288.391 2.442 20 30 CEEDHN C#CCCCC(=O)NC[C@]1(C)CN(C[C@@H](C)CC)CCO1 ZINC001107901784 808583114 /nfs/dbraw/zinc/58/31/14/808583114.db2.gz XVQNPACMHUKCPI-DOTOQJQBSA-N 0 3 294.439 2.043 20 30 CEEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)CC ZINC001098839158 808586989 /nfs/dbraw/zinc/58/69/89/808586989.db2.gz FZKGMJDKVXOUCX-CQSZACIVSA-N 0 3 282.428 2.206 20 30 CEEDHN Cc1ccc(CCC(=O)C(C#N)C(=O)NC(C)C)c(C)c1 ZINC000130754045 808606187 /nfs/dbraw/zinc/60/61/87/808606187.db2.gz IQHNKCSNAYCWJL-OAHLLOKOSA-N 0 3 286.375 2.470 20 30 CEEDHN CCC1([N-]c2c(F)c(F)c(C#N)c(F)c2F)C[NH2+]C1 ZINC001168582039 808667479 /nfs/dbraw/zinc/66/74/79/808667479.db2.gz GBIXBWDBDWSOPI-UHFFFAOYSA-N 0 3 273.233 2.279 20 30 CEEDHN C[C@@H]1C[C@H](N2CCC(=O)[C@H](C#N)C2)CN1Cc1ccccc1 ZINC001171764190 815228774 /nfs/dbraw/zinc/22/87/74/815228774.db2.gz ROFZYCLFCLUGHW-OIISXLGYSA-N 0 3 297.402 2.064 20 30 CEEDHN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CCC)CC1 ZINC001032607127 808728267 /nfs/dbraw/zinc/72/82/67/808728267.db2.gz DTOKUYKBMWWJNX-GJZGRUSLSA-N 0 3 262.397 2.428 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CC2 ZINC001032647813 808772466 /nfs/dbraw/zinc/77/24/66/808772466.db2.gz IIWRBLPLXCBRGA-IHRRRGAJSA-N 0 3 260.381 2.038 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1ccco1 ZINC001032677164 808784548 /nfs/dbraw/zinc/78/45/48/808784548.db2.gz UVWDYWDKXXNXAX-ILXRZTDVSA-N 0 3 288.391 2.319 20 30 CEEDHN CC(C)(C)C(=O)NCCCNCc1ccc(C#N)cc1F ZINC001171793428 815237895 /nfs/dbraw/zinc/23/78/95/815237895.db2.gz UNPMLPGKVHDPAJ-UHFFFAOYSA-N 0 3 291.370 2.339 20 30 CEEDHN C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1ccc[nH]1)CC2 ZINC001272929943 808938845 /nfs/dbraw/zinc/93/88/45/808938845.db2.gz XXPCQVUQEDWJBF-OAHLLOKOSA-N 0 3 287.407 2.309 20 30 CEEDHN C#CCN1CC[C@@]2(CCCN2Cc2sccc2C)C1=O ZINC001272932064 808946113 /nfs/dbraw/zinc/94/61/13/808946113.db2.gz JLLDJMMXFVBYKX-INIZCTEOSA-N 0 3 288.416 2.257 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)CC2CCCCC2)[C@@H](O)C1 ZINC001090026950 809072010 /nfs/dbraw/zinc/07/20/10/809072010.db2.gz RPCTVRHWQDIUQI-CVEARBPZSA-N 0 3 294.439 2.084 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@@H]2C=CCC2)C1 ZINC001032897962 809110121 /nfs/dbraw/zinc/11/01/21/809110121.db2.gz CPODXEHEYDXBIQ-CABCVRRESA-N 0 3 262.397 2.452 20 30 CEEDHN C=C(C)CCN1CC[C@@H](N(C)C(=O)c2cncs2)C1 ZINC001032935458 809123314 /nfs/dbraw/zinc/12/33/14/809123314.db2.gz NCIVYZJCYKDZMU-GFCCVEGCSA-N 0 3 279.409 2.256 20 30 CEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cnc(C)s2)C1 ZINC001032944020 809124618 /nfs/dbraw/zinc/12/46/18/809124618.db2.gz HQJZUUJRLGHKFP-LBPRGKRZSA-N 0 3 279.409 2.174 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2CC(F)(F)C2)C1 ZINC001032991955 809141546 /nfs/dbraw/zinc/14/15/46/809141546.db2.gz GZPMLXACLGGTNS-GFCCVEGCSA-N 0 3 272.339 2.141 20 30 CEEDHN CC(=O)N1CC[C@@H](NCc2ccccc2C#N)C[C@H]1C ZINC001044389801 809150071 /nfs/dbraw/zinc/15/00/71/809150071.db2.gz PUBLAGSRXGVZGF-MLGOLLRUSA-N 0 3 271.364 2.047 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc(C(C)C)n2)C1 ZINC001033233891 809242171 /nfs/dbraw/zinc/24/21/71/809242171.db2.gz VJWNESXKRUFUNV-HNNXBMFYSA-N 0 3 299.418 2.375 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C)cncc2C)C1 ZINC001033270209 809254524 /nfs/dbraw/zinc/25/45/24/809254524.db2.gz FLQBBOMRNPFBMI-HNNXBMFYSA-N 0 3 287.407 2.421 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc3[nH]ccc3c2)C1 ZINC001033377916 809286940 /nfs/dbraw/zinc/28/69/40/809286940.db2.gz CTJOUTFUTDKSSP-INIZCTEOSA-N 0 3 295.386 2.338 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2CCC(F)CC2)C1 ZINC001033382372 809290654 /nfs/dbraw/zinc/29/06/54/809290654.db2.gz CXPKIHBGDYBUCT-YMAMQOFZSA-N 0 3 280.387 2.071 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001033440562 809301740 /nfs/dbraw/zinc/30/17/40/809301740.db2.gz MCGTYOAJFBFPFA-RRFJBIMHSA-N 0 3 288.391 2.492 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc3ccccn3c2)C1 ZINC001033470693 809312678 /nfs/dbraw/zinc/31/26/78/809312678.db2.gz ZLBPSANWUANYNJ-KRWDZBQOSA-N 0 3 295.386 2.109 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033486405 809317066 /nfs/dbraw/zinc/31/70/66/809317066.db2.gz VJELITCUAZSERY-KURKYZTESA-N 0 3 296.414 2.346 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033486404 809317104 /nfs/dbraw/zinc/31/71/04/809317104.db2.gz VJELITCUAZSERY-KSZLIROESA-N 0 3 296.414 2.346 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001033488724 809317408 /nfs/dbraw/zinc/31/74/08/809317408.db2.gz YJOPILSGZDPPBT-LSDHHAIUSA-N 0 3 288.391 2.248 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c[nH]cc2C2CC2)C1 ZINC001033545638 809337863 /nfs/dbraw/zinc/33/78/63/809337863.db2.gz UPKJZTGGVBAXEV-CQSZACIVSA-N 0 3 285.391 2.062 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(F)cc2C)C1 ZINC001033604274 809357453 /nfs/dbraw/zinc/35/74/53/809357453.db2.gz ZKPRFXHFOQFQGU-HNNXBMFYSA-N 0 3 288.366 2.304 20 30 CEEDHN N#CC1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC001143182880 809360823 /nfs/dbraw/zinc/36/08/23/809360823.db2.gz GOVFNDKHBDTLDI-HNNXBMFYSA-N 0 3 283.375 2.243 20 30 CEEDHN CCC(=O)N1CCC[C@H]1CNCc1ccc(C#N)c(F)c1 ZINC001044888507 809364515 /nfs/dbraw/zinc/36/45/15/809364515.db2.gz IJVMDWBLMNOSIQ-AWEZNQCLSA-N 0 3 289.354 2.188 20 30 CEEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2c(C)onc2CC)C1 ZINC001033659566 809376840 /nfs/dbraw/zinc/37/68/40/809376840.db2.gz LCZNGAVRABLTLN-CYBMUJFWSA-N 0 3 291.395 2.268 20 30 CEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cnc(CC)s2)C1 ZINC001033700810 809385246 /nfs/dbraw/zinc/38/52/46/809385246.db2.gz CKIOCLPRBHBRHL-LBPRGKRZSA-N 0 3 293.436 2.428 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccccn2)C1 ZINC001033720019 809386968 /nfs/dbraw/zinc/38/69/68/809386968.db2.gz WCOQKKFQCZGHRU-CQSZACIVSA-N 0 3 273.380 2.194 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC2(F)F)C1 ZINC001033824188 809424916 /nfs/dbraw/zinc/42/49/16/809424916.db2.gz YTWBJBWKEMCCII-VXGBXAGGSA-N 0 3 272.339 2.141 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccn2CC=C)C1 ZINC001033856131 809436634 /nfs/dbraw/zinc/43/66/34/809436634.db2.gz RNSILSCDJBPAQW-INIZCTEOSA-N 0 3 299.418 2.234 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC001034109406 809516005 /nfs/dbraw/zinc/51/60/05/809516005.db2.gz KLRBRCCKTYPQMZ-AWEZNQCLSA-N 0 3 290.411 2.133 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccnc(F)c2)C1 ZINC001034127936 809525357 /nfs/dbraw/zinc/52/53/57/809525357.db2.gz PAJZEVWTGMEKDF-AWEZNQCLSA-N 0 3 291.370 2.381 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001034158318 809529125 /nfs/dbraw/zinc/52/91/25/809529125.db2.gz GUICKJCJWBVGFN-CHWSQXEVSA-N 0 3 250.386 2.189 20 30 CEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2csnc2C)C1 ZINC001034171175 809540080 /nfs/dbraw/zinc/54/00/80/809540080.db2.gz KFBJGXIQPZUBNX-CYBMUJFWSA-N 0 3 291.420 2.059 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccc(C)o2)C1 ZINC001034171967 809540168 /nfs/dbraw/zinc/54/01/68/809540168.db2.gz JEHJVAVCEACNNA-AWEZNQCLSA-N 0 3 276.380 2.287 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@]1(C)CN(C[C@H](C)CC)CCO1 ZINC001108119627 809546775 /nfs/dbraw/zinc/54/67/75/809546775.db2.gz RIEVCDVPSAEEAI-RHSMWYFYSA-N 0 3 296.455 2.452 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)C2C=CC=CC=C2)C1 ZINC001034237333 809562021 /nfs/dbraw/zinc/56/20/21/809562021.db2.gz UTCPPAHATTVDOP-INIZCTEOSA-N 0 3 272.392 2.442 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001034244694 809563292 /nfs/dbraw/zinc/56/32/92/809563292.db2.gz QVYPNRYQQGDMIB-AWEZNQCLSA-N 0 3 291.395 2.072 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC001034288114 809572655 /nfs/dbraw/zinc/57/26/55/809572655.db2.gz FKLBLGGBYRECMS-CYBMUJFWSA-N 0 3 298.390 2.333 20 30 CEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ncc(C)cc2C)C1 ZINC001034317247 809578869 /nfs/dbraw/zinc/57/88/69/809578869.db2.gz KAFPGGQOLVFNKM-MRXNPFEDSA-N 0 3 299.418 2.306 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001034409811 809600916 /nfs/dbraw/zinc/60/09/16/809600916.db2.gz YHVCFIKMJIFBHN-HZSPNIEDSA-N 0 3 250.386 2.189 20 30 CEEDHN C[C@H](C#N)C(=O)N1CCC2(C1)CCN(C/C=C/Cl)CC2 ZINC001040635253 809782565 /nfs/dbraw/zinc/78/25/65/809782565.db2.gz CJKMWRFDSNJOAN-ZABGRMTBSA-N 0 3 295.814 2.213 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC001035649692 809795986 /nfs/dbraw/zinc/79/59/86/809795986.db2.gz YQEZHQUVVNMKCZ-UHFFFAOYSA-N 0 3 288.416 2.309 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccn(C)c1)CC2 ZINC001035686061 809802878 /nfs/dbraw/zinc/80/28/78/809802878.db2.gz PZSZGKNAMVGHLA-UHFFFAOYSA-N 0 3 287.407 2.139 20 30 CEEDHN CCC(=O)N1CC[C@H](NCc2ccccc2C#N)[C@H](C)C1 ZINC001035872099 809828271 /nfs/dbraw/zinc/82/82/71/809828271.db2.gz CTQVCZNAAWOSPN-CJNGLKHVSA-N 0 3 285.391 2.295 20 30 CEEDHN C[C@H](C#N)OCCN1CC[C@@](C)(C(F)(F)F)C1 ZINC000708717547 809933712 /nfs/dbraw/zinc/93/37/12/809933712.db2.gz AGVDJFZGDKOAMT-NXEZZACHSA-N 0 3 250.264 2.189 20 30 CEEDHN FC1(F)C[C@H]1OCCNCC#Cc1ccccc1 ZINC000709173233 809934422 /nfs/dbraw/zinc/93/44/22/809934422.db2.gz ICYBQRZADJAZSH-CYBMUJFWSA-N 0 3 251.276 2.052 20 30 CEEDHN N#CCCN(C1CCCC1)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172174821 815329775 /nfs/dbraw/zinc/32/97/75/815329775.db2.gz BDSFJMGHPJDMCC-CABCVRRESA-N 0 3 275.396 2.298 20 30 CEEDHN C=C(C)CCNCc1cnc(C(=O)OCC)s1 ZINC000711395815 810065178 /nfs/dbraw/zinc/06/51/78/810065178.db2.gz CWGSJGNCTWJXOW-UHFFFAOYSA-N 0 3 254.355 2.376 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cscc2C)C1 ZINC001079545335 810219148 /nfs/dbraw/zinc/21/91/48/810219148.db2.gz OJQVEUUPSZNNCX-BXUZGUMPSA-N 0 3 276.405 2.130 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001079694563 810229273 /nfs/dbraw/zinc/22/92/73/810229273.db2.gz GGMVWHGVYHIPPM-BZUAXINKSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001079818649 810234231 /nfs/dbraw/zinc/23/42/31/810234231.db2.gz RNTWYGBNYPTDQA-FRRDWIJNSA-N 0 3 286.366 2.434 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001079946481 810239456 /nfs/dbraw/zinc/23/94/56/810239456.db2.gz QERDTKDDWNBRMZ-RBSFLKMASA-N 0 3 262.397 2.355 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001014906258 810243808 /nfs/dbraw/zinc/24/38/08/810243808.db2.gz SNPJYIAXQQQLPO-TZMCWYRMSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC001080061284 810244752 /nfs/dbraw/zinc/24/47/52/810244752.db2.gz MKINVSKISNBPBW-MLGOLLRUSA-N 0 3 283.375 2.404 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001080063975 810246540 /nfs/dbraw/zinc/24/65/40/810246540.db2.gz ASDGAOZGUUOIHI-IAQYHMDHSA-N 0 3 290.432 2.438 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cncc(CC)c2)C1 ZINC001080136306 810249693 /nfs/dbraw/zinc/24/96/93/810249693.db2.gz LIWVFZKINUGNOL-CZUORRHYSA-N 0 3 287.407 2.270 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001080281977 810268414 /nfs/dbraw/zinc/26/84/14/810268414.db2.gz OFQLYSKKJDHWPQ-TZMCWYRMSA-N 0 3 262.397 2.189 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001080427215 810278097 /nfs/dbraw/zinc/27/80/97/810278097.db2.gz ZMDTTYNOUCKJLJ-HZSPNIEDSA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001015332722 810281148 /nfs/dbraw/zinc/28/11/48/810281148.db2.gz OULKAEHOWKLOIQ-JENIJYKNSA-N 0 3 296.414 2.178 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001080591839 810295895 /nfs/dbraw/zinc/29/58/95/810295895.db2.gz DSGFDJDSUDNTHX-SLBVQIDZSA-N 0 3 276.424 2.435 20 30 CEEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2sccc2OC)C1 ZINC001080822452 810309341 /nfs/dbraw/zinc/30/93/41/810309341.db2.gz ADKOKEDHNZQZSO-VXGBXAGGSA-N 0 3 294.420 2.383 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001080879661 810314189 /nfs/dbraw/zinc/31/41/89/810314189.db2.gz WUHNFTYMWPIRRD-RHSMWYFYSA-N 0 3 284.403 2.377 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001015630592 810320836 /nfs/dbraw/zinc/32/08/36/810320836.db2.gz CIOARODDTQYZKT-QGZVFWFLSA-N 0 3 284.403 2.467 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)CCC2CC2)C[C@H]1c1ccccc1 ZINC001081099882 810330956 /nfs/dbraw/zinc/33/09/56/810330956.db2.gz LCZVBYBXLCHPGP-ZWKOTPCHSA-N 0 3 296.414 2.394 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)[C@H](C)CC)C[C@H]1c1ccccc1 ZINC001081090296 810331894 /nfs/dbraw/zinc/33/18/94/810331894.db2.gz BRCANMFYUTVUGC-HYVNUMGLSA-N 0 3 284.403 2.250 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001015741105 810343710 /nfs/dbraw/zinc/34/37/10/810343710.db2.gz FUDVBNXLXYHSEF-CYBMUJFWSA-N 0 3 290.794 2.476 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001015745301 810344988 /nfs/dbraw/zinc/34/49/88/810344988.db2.gz WMOHGPFEIJUJTN-LLVKDONJSA-N 0 3 298.308 2.484 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001015790320 810353779 /nfs/dbraw/zinc/35/37/79/810353779.db2.gz HIVWZZXJTKEGCX-LBPRGKRZSA-N 0 3 277.368 2.178 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001015812454 810359926 /nfs/dbraw/zinc/35/99/26/810359926.db2.gz XRBVWDUOIRDIOT-CSLYMUCUSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001015809910 810360484 /nfs/dbraw/zinc/36/04/84/810360484.db2.gz WTGQBOAUPDOEOZ-LLVKDONJSA-N 0 3 296.823 2.158 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001015869595 810367698 /nfs/dbraw/zinc/36/76/98/810367698.db2.gz YEHLHZJARMVHJQ-UONOGXRCSA-N 0 3 288.366 2.143 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cc[nH]c1CCC ZINC001164408344 810368243 /nfs/dbraw/zinc/36/82/43/810368243.db2.gz JXDFYZJXJDHUGO-UHFFFAOYSA-N 0 3 283.803 2.429 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001016157993 810406453 /nfs/dbraw/zinc/40/64/53/810406453.db2.gz ZWQBARKAQPUQHX-MRXNPFEDSA-N 0 3 270.376 2.076 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCC[C@]2(CNC(=O)O2)C1 ZINC001172319741 815370346 /nfs/dbraw/zinc/37/03/46/815370346.db2.gz QURGMAQYEWNDGQ-DYVFJYSZSA-N 0 3 299.374 2.064 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2ccsc2)CC1 ZINC001016494324 810445423 /nfs/dbraw/zinc/44/54/23/810445423.db2.gz JCHVVXOGGCFKRJ-CQSZACIVSA-N 0 3 288.416 2.356 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@H](C)n2cccc2)CC1 ZINC001016574931 810453792 /nfs/dbraw/zinc/45/37/92/810453792.db2.gz FRHBVTQEITVCBO-HZPDHXFCSA-N 0 3 299.418 2.043 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc(C)c(C)o2)CC1 ZINC001016574069 810454201 /nfs/dbraw/zinc/45/42/01/810454201.db2.gz DNCFIAWWFZCUIB-HNNXBMFYSA-N 0 3 286.375 2.114 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001016723185 810464266 /nfs/dbraw/zinc/46/42/66/810464266.db2.gz CXANRIZQWGFGRO-RBSFLKMASA-N 0 3 288.435 2.273 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccn(CC)c2C)CC1 ZINC001016787896 810468667 /nfs/dbraw/zinc/46/86/67/810468667.db2.gz ACPKXAWUFKXZNP-INIZCTEOSA-N 0 3 299.418 2.034 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@H]3C=CCCC3)[C@@H]2C1 ZINC001084444836 810472941 /nfs/dbraw/zinc/47/29/41/810472941.db2.gz HCEIBPHWCCJLMY-GVDBMIGSSA-N 0 3 286.419 2.289 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C[C@@H]3CC=CCC3)[C@@H]2C1 ZINC001084581752 810481752 /nfs/dbraw/zinc/48/17/52/810481752.db2.gz SXFHNYKPKCYAAB-BRWVUGGUSA-N 0 3 286.419 2.289 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(OCC)C1 ZINC001017530250 810530414 /nfs/dbraw/zinc/53/04/14/810530414.db2.gz OCZBIZGQLNHIMW-IRHLINNNSA-N 0 3 292.423 2.053 20 30 CEEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN(CC=C(C)C)C[C@H]1O ZINC001099848607 810542189 /nfs/dbraw/zinc/54/21/89/810542189.db2.gz WYDCJYGJVGKUPD-LSDHHAIUSA-N 0 3 294.439 2.106 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)C(F)(F)F)C[C@@H]21 ZINC001085005744 810563344 /nfs/dbraw/zinc/56/33/44/810563344.db2.gz IWENWCSTVOWNRB-TUAOUCFPSA-N 0 3 290.329 2.294 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H](C)C1 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CC#CCN1CCC2(CN(C(=O)c3ccc(C)o3)C2)CC1 ZINC001050423119 812821938 /nfs/dbraw/zinc/82/19/38/812821938.db2.gz GXHYYVMELGPESU-UHFFFAOYSA-N 0 3 286.375 2.149 20 30 CEEDHN C=CC(C)(C)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001132402670 812838837 /nfs/dbraw/zinc/83/88/37/812838837.db2.gz UUTNZCBBYYQFCM-UHFFFAOYSA-N 0 3 291.351 2.013 20 30 CEEDHN C#CCCCCCC(=O)NCCNCc1cncc(C)c1 ZINC001132398468 812839860 /nfs/dbraw/zinc/83/98/60/812839860.db2.gz APLKNJKMLFVHQJ-UHFFFAOYSA-N 0 3 287.407 2.180 20 30 CEEDHN C=CC(C)(C)C(=O)NCCNCc1ccsc1 ZINC001132391153 812842214 /nfs/dbraw/zinc/84/22/14/812842214.db2.gz BKWUFAYIBHGEDW-UHFFFAOYSA-N 0 3 252.383 2.166 20 30 CEEDHN C=C/C(C)=C\CC(=O)NCCNCc1ccc(C#N)cc1 ZINC001132493535 812869623 /nfs/dbraw/zinc/86/96/23/812869623.db2.gz SEUVLGPIJYOOHH-CPSFFCFKSA-N 0 3 283.375 2.286 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)CCCOC(C)C)CC[C@H]1C ZINC001132529873 812877360 /nfs/dbraw/zinc/87/73/60/812877360.db2.gz SJRHQGRUBDFHPL-CABCVRRESA-N 0 3 282.428 2.347 20 30 CEEDHN CCC(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001052129833 812927794 /nfs/dbraw/zinc/92/77/94/812927794.db2.gz NCDSHDMNCSQEKM-INIZCTEOSA-N 0 3 285.391 2.439 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)C[C@H]2C=CCC2)CC1 ZINC001052190246 812943011 /nfs/dbraw/zinc/94/30/11/812943011.db2.gz JJMVHBTXYQSPQO-HOTGVXAUSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2ccc(C(C)C)nc2)CC1 ZINC001052443904 812993007 /nfs/dbraw/zinc/99/30/07/812993007.db2.gz BGGOYVNXLXRWDO-INIZCTEOSA-N 0 3 299.418 2.423 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc[nH]c2CCC)CC1 ZINC001052645493 813021049 /nfs/dbraw/zinc/02/10/49/813021049.db2.gz QBFPCSXHRZCHSH-CQSZACIVSA-N 0 3 287.407 2.185 20 30 CEEDHN C=CCCC1(C(=O)NCCNC/C=C\Cl)CC1 ZINC001133379200 813042847 /nfs/dbraw/zinc/04/28/47/813042847.db2.gz WEVLIJIXDXAOHA-YWEYNIOJSA-N 0 3 256.777 2.191 20 30 CEEDHN C=C1CC(C)(C(=O)NCCNCc2ccnc(Cl)c2)C1 ZINC001133570234 813109686 /nfs/dbraw/zinc/10/96/86/813109686.db2.gz PPAKNLBEFPCEIV-UHFFFAOYSA-N 0 3 293.798 2.297 20 30 CEEDHN Cc1ncc(CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)C)o1 ZINC001134317419 813250258 /nfs/dbraw/zinc/25/02/58/813250258.db2.gz JCRQYTYJJPHUNL-OLZOCXBDSA-N 0 3 291.395 2.015 20 30 CEEDHN C=CCC(C)(C)C(=O)NCCNCc1cnc(C)s1 ZINC001134410220 813265546 /nfs/dbraw/zinc/26/55/46/813265546.db2.gz JGKNKXBOFRFRRU-UHFFFAOYSA-N 0 3 281.425 2.260 20 30 CEEDHN C[C@H]1CC[C@H](C(=O)NCCNCc2cccc(C#N)c2)C1 ZINC001134738809 813318998 /nfs/dbraw/zinc/31/89/98/813318998.db2.gz XQFUZZWGKJOTQJ-BBRMVZONSA-N 0 3 285.391 2.200 20 30 CEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C=C(C)C)C[C@@H](C)O2 ZINC001071128724 813323332 /nfs/dbraw/zinc/32/33/32/813323332.db2.gz ATELWSAURCKFEF-WBVHZDCISA-N 0 3 292.423 2.221 20 30 CEEDHN N#Cc1cccc(CNCCNC(=O)[C@@H]2C[C@H]2C2CCC2)c1 ZINC001135099043 813365658 /nfs/dbraw/zinc/36/56/58/813365658.db2.gz FVLLTDUSLSEBSB-DLBZAZTESA-N 0 3 297.402 2.200 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C)o2)CC[C@H]1C ZINC001071331365 813366988 /nfs/dbraw/zinc/36/69/88/813366988.db2.gz BOOZCEYKOSKWRO-TZMCWYRMSA-N 0 3 274.364 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/nfs/dbraw/zinc/69/08/89/813690889.db2.gz GMSHHTOVZPUVKJ-KRWDZBQOSA-N 0 3 296.455 2.284 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3occc3Cl)C2)C1 ZINC001072953275 813700275 /nfs/dbraw/zinc/70/02/75/813700275.db2.gz WTXDETVAALXACJ-UHFFFAOYSA-N 0 3 280.755 2.267 20 30 CEEDHN COC(=O)c1ccc(C(=N)Nc2ccc(O)cc2)cc1 ZINC001170984774 813720943 /nfs/dbraw/zinc/72/09/43/813720943.db2.gz ZTJOEFXIUBIKLG-UHFFFAOYSA-N 0 3 270.288 2.216 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3csc(Cl)n3)C2)C1 ZINC001073105796 813725814 /nfs/dbraw/zinc/72/58/14/813725814.db2.gz AFMPDYQMUVCBIO-UHFFFAOYSA-N 0 3 297.811 2.130 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3C[C@@]3(C)C(C)C)C2)C1 ZINC001073096022 813725956 /nfs/dbraw/zinc/72/59/56/813725956.db2.gz NIOWTEFXVVJOEG-WBVHZDCISA-N 0 3 288.435 2.226 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C)C2 ZINC001098259935 813915851 /nfs/dbraw/zinc/91/58/51/813915851.db2.gz GQHLVCLGHTZLPV-UPJWGTAASA-N 0 3 250.386 2.330 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccnc(F)c2)C1 ZINC001090949658 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ZINC001099194873 813994162 /nfs/dbraw/zinc/99/41/62/813994162.db2.gz TZWLNUIKILTTGP-LSDHHAIUSA-N 0 3 296.455 2.188 20 30 CEEDHN Cc1nccnc1CN[C@H](C)Cc1cccc(C#N)c1 ZINC001171198811 814111173 /nfs/dbraw/zinc/11/11/73/814111173.db2.gz QQPUFHIUMHFBJQ-GFCCVEGCSA-N 0 3 266.348 2.378 20 30 CEEDHN C=C1CCC(F)=CC1=Nc1ncc2c(n1)CCNC2 ZINC001160714660 814187818 /nfs/dbraw/zinc/18/78/18/814187818.db2.gz RNMTUUOSMGEBEQ-UHFFFAOYSA-N 0 3 258.300 2.231 20 30 CEEDHN CCCCCCC[C@H](C)N1CCNC[C@@H]1C(=O)OC ZINC001246627704 814227945 /nfs/dbraw/zinc/22/79/45/814227945.db2.gz WOCPAPJGYHCGSZ-UONOGXRCSA-N 0 3 270.417 2.182 20 30 CEEDHN C#CCCN1CCCO[C@H](CNC(=O)C[C@H](C)CCC)C1 ZINC001149405455 814251140 /nfs/dbraw/zinc/25/11/40/814251140.db2.gz CTFZMAUJNAEJND-HZPDHXFCSA-N 0 3 294.439 2.043 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cscc3C)C[C@]2(C)C1 ZINC001091576368 814296252 /nfs/dbraw/zinc/29/62/52/814296252.db2.gz NDOUUJQGJWEZLA-CJNGLKHVSA-N 0 3 288.416 2.084 20 30 CEEDHN C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001102687008 814413711 /nfs/dbraw/zinc/41/37/11/814413711.db2.gz GQKHVUBTNAHVDI-ZIAGYGMSSA-N 0 3 288.391 2.266 20 30 CEEDHN C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001102687008 814413716 /nfs/dbraw/zinc/41/37/16/814413716.db2.gz GQKHVUBTNAHVDI-ZIAGYGMSSA-N 0 3 288.391 2.266 20 30 CEEDHN CC#CCNCCNC(=O)[C@H](CC)Cc1ccccc1C ZINC001147865122 814508341 /nfs/dbraw/zinc/50/83/41/814508341.db2.gz NSTLPYITRQKCFL-MRXNPFEDSA-N 0 3 286.419 2.293 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@H](C)C(F)(F)F)C2)C1 ZINC001148205608 814535376 /nfs/dbraw/zinc/53/53/76/814535376.db2.gz JONZIWVRTPHDBZ-NSHDSACASA-N 0 3 290.329 2.295 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@]3(C)CC=CCC3)C[C@]2(C)C1 ZINC001091699949 814545945 /nfs/dbraw/zinc/54/59/45/814545945.db2.gz VEGQYCMNWADLKJ-NXHRZFHOSA-N 0 3 286.419 2.146 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)CC(C)C)C2)C1 ZINC001148495911 814574572 /nfs/dbraw/zinc/57/45/72/814574572.db2.gz 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ZINC001115077877 814679516 /nfs/dbraw/zinc/67/95/16/814679516.db2.gz ZZQQHZFIZHIUQU-FVQHAEBGSA-N 0 3 298.430 2.488 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc(C(C)C)cn2)[C@H](C)C1 ZINC001092963103 814738017 /nfs/dbraw/zinc/73/80/17/814738017.db2.gz HWWHKKYWTCLBAV-GDBMZVCRSA-N 0 3 299.418 2.136 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc(C(F)F)o2)[C@H](C)C1 ZINC001093167087 814883928 /nfs/dbraw/zinc/88/39/28/814883928.db2.gz KDBGFNGIIZOQKZ-GHMZBOCLSA-N 0 3 296.317 2.148 20 30 CEEDHN C[C@@H](NCC[C@@H]1CCCS1(=O)=O)c1cccc(C#N)c1 ZINC000714342171 814895780 /nfs/dbraw/zinc/89/57/80/814895780.db2.gz MSBTXXTURABASY-DOMZBBRYSA-N 0 3 292.404 2.176 20 30 CEEDHN C=CCCC(=O)NCCNCc1ccccc1OC1CC1 ZINC001124640877 815623878 /nfs/dbraw/zinc/62/38/78/815623878.db2.gz RQLDPDVQGLUYNQ-UHFFFAOYSA-N 0 3 288.391 2.400 20 30 CEEDHN COc1ccc(CN2CCN(C(C)(C)C)CC2)c(C#N)c1 ZINC001137703632 815667885 /nfs/dbraw/zinc/66/78/85/815667885.db2.gz RRPVVJAXUFBPJT-UHFFFAOYSA-N 0 3 287.407 2.483 20 30 CEEDHN C=CCOC1CCC(N2CC[C@](F)(C(=O)OC)C2)CC1 ZINC001173321772 815672900 /nfs/dbraw/zinc/67/29/00/815672900.db2.gz OVEKXUBCQXAWTO-SSDMNJCBSA-N 0 3 285.359 2.087 20 30 CEEDHN Cn1cc2c(n1)CCN(C1CCC(C)(C#N)CC1)C2 ZINC001173598355 815756926 /nfs/dbraw/zinc/75/69/26/815756926.db2.gz PSGDQDQTJCTIHF-UHFFFAOYSA-N 0 3 258.369 2.251 20 30 CEEDHN CCOC(=O)[C@@H]1CC12CCC(N1CC[C@@H](C#N)C1)CC2 ZINC001173616147 815775053 /nfs/dbraw/zinc/77/50/53/815775053.db2.gz DEEYBEIXOPRLBO-REWIBIJMSA-N 0 3 276.380 2.344 20 30 CEEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(OCCO)cc1 ZINC001138796832 815903428 /nfs/dbraw/zinc/90/34/28/815903428.db2.gz RZZUYCRSXUMDCM-PHZGNYQRSA-N 0 3 286.375 2.324 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@@](C)(CO)C1 ZINC001139028956 815947088 /nfs/dbraw/zinc/94/70/88/815947088.db2.gz KMPAZRXDOSDHRW-MRXNPFEDSA-N 0 3 261.365 2.456 20 30 CEEDHN C#CCN1CCN(Cc2cccc3c2ccn3CC)CC1 ZINC001139158983 815972474 /nfs/dbraw/zinc/97/24/74/815972474.db2.gz RZNWPLWLPNIXFA-UHFFFAOYSA-N 0 3 281.403 2.412 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCCCO1)C2 ZINC001095300963 816003155 /nfs/dbraw/zinc/00/31/55/816003155.db2.gz SBWTWNYMBNBJHI-WCVJEAGWSA-N 0 3 292.423 2.243 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H](CC(C)C)OC ZINC001139869310 816131234 /nfs/dbraw/zinc/13/12/34/816131234.db2.gz FHJHUQZYUNTRQG-CQSZACIVSA-N 0 3 270.417 2.014 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCC[C@H](OC)C1 ZINC001139874194 816132720 /nfs/dbraw/zinc/13/27/20/816132720.db2.gz QIRYNMKOTYCYMD-CABCVRRESA-N 0 3 282.428 2.158 20 30 CEEDHN N#Cc1ccc2[nH]cc(CN3CCN(C4CC4)CC3)c2c1 ZINC001140112061 816192762 /nfs/dbraw/zinc/19/27/62/816192762.db2.gz QGHCPPXRPXVAKV-UHFFFAOYSA-N 0 3 280.375 2.320 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](c3cccnc3)C2)cn1 ZINC001140544489 816283510 /nfs/dbraw/zinc/28/35/10/816283510.db2.gz RCWQHVVZEMIGFF-HNNXBMFYSA-N 0 3 264.332 2.338 20 30 CEEDHN CCN(Cc1cc(F)c(C#N)c(F)c1)CC(C)(C)O ZINC001140754635 816346332 /nfs/dbraw/zinc/34/63/32/816346332.db2.gz FPIBITOUEVIDPA-UHFFFAOYSA-N 0 3 268.307 2.429 20 30 CEEDHN C=CCN1C(=O)CC[C@]12CCCN(Cc1cnco1)CC2 ZINC001140928839 816413713 /nfs/dbraw/zinc/41/37/13/816413713.db2.gz ZJSQFKVTXWSKHT-INIZCTEOSA-N 0 3 289.379 2.208 20 30 CEEDHN CC#CCNCCNC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC001150696844 816556435 /nfs/dbraw/zinc/55/64/35/816556435.db2.gz BEOJGORQJKJYJQ-LBPRGKRZSA-N 0 3 290.432 2.216 20 30 CEEDHN C#C[C@@H](C)NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000123483887 816621240 /nfs/dbraw/zinc/62/12/40/816621240.db2.gz OPZDFWODCXQXCU-SKDRFNHKSA-N 0 3 257.255 2.350 20 30 CEEDHN N#CC(Cc1cccs1)C(=O)Nc1cn(CCF)cn1 ZINC001177909602 816641042 /nfs/dbraw/zinc/64/10/42/816641042.db2.gz WYRXAVFRRDXIBD-SNVBAGLBSA-N 0 3 292.339 2.235 20 30 CEEDHN C=CCCC(=O)NCCCCCCNCc1cnns1 ZINC001178008085 816658416 /nfs/dbraw/zinc/65/84/16/816658416.db2.gz QXMYQJWCLVVKNO-UHFFFAOYSA-N 0 3 296.440 2.271 20 30 CEEDHN C[C@H](C#N)C(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001178351661 816723139 /nfs/dbraw/zinc/72/31/39/816723139.db2.gz UXDAIMVDTBZQPE-UTLUCORTSA-N 0 3 290.194 2.044 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)/C=C/c1ccccc1 ZINC001142872277 816744557 /nfs/dbraw/zinc/74/45/57/816744557.db2.gz TYHRAJKMDASDLN-OFAQMXQXSA-N 0 3 270.376 2.466 20 30 CEEDHN C=CCCC(=O)NC[C@@H]1CN(CC=C(C)C)CCCO1 ZINC001149362387 816852900 /nfs/dbraw/zinc/85/29/00/816852900.db2.gz QGYLSHAIQFWXES-OAHLLOKOSA-N 0 3 280.412 2.126 20 30 CEEDHN C[C@H]1CN(C(=O)C2(C#N)CCCCC2)CCN(C2CC2)C1 ZINC000336303629 365552156 /nfs/dbraw/zinc/55/21/56/365552156.db2.gz ZPAXUIDIAXSSHE-CQSZACIVSA-N 0 3 289.423 2.403 20 30 CEEDHN C=CCOCCCC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000079550728 343984514 /nfs/dbraw/zinc/98/45/14/343984514.db2.gz YLKSZAAGQZVZLZ-GJZGRUSLSA-N 0 3 282.428 2.348 20 30 CEEDHN CCc1nnc(NC[C@H]2CCCN2CC)c(C#N)c1CC ZINC000124889613 187159784 /nfs/dbraw/zinc/15/97/84/187159784.db2.gz DHCIXZUAMLFQJY-GFCCVEGCSA-N 0 3 287.411 2.369 20 30 CEEDHN C=CCC[C@H](O)CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000123047481 365634512 /nfs/dbraw/zinc/63/45/12/365634512.db2.gz KOZDWMAHADJUDT-AWEZNQCLSA-N 0 3 298.427 2.303 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000337835299 214280131 /nfs/dbraw/zinc/28/01/31/214280131.db2.gz UGDMQMJDVCJWQB-DOMZBBRYSA-N 0 3 271.364 2.079 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000337905331 214306702 /nfs/dbraw/zinc/30/67/02/214306702.db2.gz UKSMKHVBPVGRRW-WBVHZDCISA-N 0 3 297.402 2.423 20 30 CEEDHN C=CCC[C@@H](O)CN[C@@H](CO)c1ccc(Cl)cc1 ZINC000273112835 192046055 /nfs/dbraw/zinc/04/60/55/192046055.db2.gz OFGIXJPZBUINLK-KGLIPLIRSA-N 0 3 269.772 2.290 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000337949241 214327838 /nfs/dbraw/zinc/32/78/38/214327838.db2.gz GOLRPBKROMISHD-IUODEOHRSA-N 0 3 285.391 2.421 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601664053 346872743 /nfs/dbraw/zinc/87/27/43/346872743.db2.gz HBMIAOSYCQSVHY-GFCCVEGCSA-N 0 3 275.396 2.059 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccccc1CC#N ZINC000601664269 346873272 /nfs/dbraw/zinc/87/32/72/346873272.db2.gz KTMLMZRUMHVWPR-AWEZNQCLSA-N 0 3 285.391 2.355 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000348653946 529490050 /nfs/dbraw/zinc/49/00/50/529490050.db2.gz MFXSGHKPQBCQQR-INIZCTEOSA-N 0 3 273.380 2.304 20 30 CEEDHN CN(C)[C@@H]1CCCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000336246781 282186226 /nfs/dbraw/zinc/18/62/26/282186226.db2.gz YYJPSGMXJXKCDN-CZUORRHYSA-N 0 3 275.396 2.013 20 30 CEEDHN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CC#CCOC ZINC000677819318 539270001 /nfs/dbraw/zinc/27/00/01/539270001.db2.gz XSXTXEKRRGNKJD-KBPBESRZSA-N 0 3 253.386 2.162 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](c1ccccc1)C(C)C ZINC000042509985 362099486 /nfs/dbraw/zinc/09/94/86/362099486.db2.gz YHJUABAZXVEVPV-ZFWWWQNUSA-N 0 3 258.365 2.111 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H](C)CCSC ZINC000126395162 365709698 /nfs/dbraw/zinc/70/96/98/365709698.db2.gz ZBXIWIPZBBIING-CYBMUJFWSA-N 0 3 272.458 2.484 20 30 CEEDHN CC#CCN1CCC[C@@H](C(=O)Nc2ncccc2C)C1 ZINC000080928250 344028695 /nfs/dbraw/zinc/02/86/95/344028695.db2.gz HYSPAMMZQMTMPS-CQSZACIVSA-N 0 3 271.364 2.064 20 30 CEEDHN C[C@H](C1CC1)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000030971279 343406245 /nfs/dbraw/zinc/40/62/45/343406245.db2.gz BVHXZJPWUMRJTQ-GFCCVEGCSA-N 0 3 263.385 2.059 20 30 CEEDHN N#Cc1cccc(NC(=O)NC2CCN(C3CC3)CC2)c1 ZINC000043329735 343463136 /nfs/dbraw/zinc/46/31/36/343463136.db2.gz FSJNXRRXNFECRK-UHFFFAOYSA-N 0 3 284.363 2.307 20 30 CEEDHN N#Cc1cc2c(nc1N[C@H]1CCN(C3CC3)C1)CCC2 ZINC000044417348 343471312 /nfs/dbraw/zinc/47/13/12/343471312.db2.gz QFOCHDWHUQGWHY-ZDUSSCGKSA-N 0 3 268.364 2.091 20 30 CEEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)[C@@H](O)C(F)F ZINC000295020763 199303830 /nfs/dbraw/zinc/30/38/30/199303830.db2.gz KNNIVTGDSCJDTD-DGCLKSJQSA-N 0 3 284.306 2.061 20 30 CEEDHN COC(=O)c1ccc(CNCc2ccc(CC#N)cc2)n1C ZINC000602020219 346962697 /nfs/dbraw/zinc/96/26/97/346962697.db2.gz MELHLUSTIIMLOP-UHFFFAOYSA-N 0 3 297.358 2.168 20 30 CEEDHN CCCCN1CCCN(c2ncccc2C#N)CC1 ZINC000067462598 343737051 /nfs/dbraw/zinc/73/70/51/343737051.db2.gz IMYTWXWCRXMKLN-UHFFFAOYSA-N 0 3 258.369 2.265 20 30 CEEDHN CC(C)[C@H](NCC(=O)NCC#N)c1ccc(Cl)cc1 ZINC000066491868 343715527 /nfs/dbraw/zinc/71/55/27/343715527.db2.gz GCFBRIBPFCVPDB-AWEZNQCLSA-N 0 3 279.771 2.266 20 30 CEEDHN C[C@H]1COCC[C@H]1CNCc1cccc(F)c1C#N ZINC000602017753 346960904 /nfs/dbraw/zinc/96/09/04/346960904.db2.gz USCMPSSVOWVPFU-RYUDHWBXSA-N 0 3 262.328 2.460 20 30 CEEDHN CC(C)NC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000068563682 343768003 /nfs/dbraw/zinc/76/80/03/343768003.db2.gz ANXINFVRHLCDNB-UHFFFAOYSA-N 0 3 288.395 2.040 20 30 CEEDHN C[C@H](CC#N)NCCCN1CCN(c2ccccc2)CC1 ZINC000068610306 343769453 /nfs/dbraw/zinc/76/94/53/343769453.db2.gz IDRYKNFHJRFXKL-MRXNPFEDSA-N 0 3 286.423 2.090 20 30 CEEDHN CN(CC(=O)N(C)Cc1ccc(C#N)cc1)CC(C)(C)C ZINC000602054968 346967346 /nfs/dbraw/zinc/96/73/46/346967346.db2.gz TVNRYLUFGHHPKZ-UHFFFAOYSA-N 0 3 287.407 2.495 20 30 CEEDHN CC(C)N1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000068916401 343776939 /nfs/dbraw/zinc/77/69/39/343776939.db2.gz IGFQCCNYRBNERY-UHFFFAOYSA-N 0 3 288.351 2.387 20 30 CEEDHN C[C@H](NCCCOc1cccc(C#N)c1)c1cn[nH]c1 ZINC000273924246 192365200 /nfs/dbraw/zinc/36/52/00/192365200.db2.gz BPAPCFARBZUPHQ-LBPRGKRZSA-N 0 3 270.336 2.401 20 30 CEEDHN C=CCOc1ccc(CNC[C@@](C)(O)COC)cc1Cl ZINC000069911680 343792275 /nfs/dbraw/zinc/79/22/75/343792275.db2.gz CKAVPHFKXWEXAY-OAHLLOKOSA-N 0 3 299.798 2.392 20 30 CEEDHN CN(CC(=O)N1Cc2ccc(C#N)cc2C1)CC(C)(C)C ZINC000602173588 346987588 /nfs/dbraw/zinc/98/75/88/346987588.db2.gz DJPZFQLDLDBAFT-UHFFFAOYSA-N 0 3 285.391 2.378 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1ccon1)C(C)C ZINC000073640559 343831838 /nfs/dbraw/zinc/83/18/38/343831838.db2.gz SPNJFMFSMJSCIC-OAHLLOKOSA-N 0 3 291.395 2.032 20 30 CEEDHN COC[C@@H](C)N1CCCN(c2ccc(C#N)cc2)CC1 ZINC000075674116 343862059 /nfs/dbraw/zinc/86/20/59/343862059.db2.gz NSZCAKLMRPPPOY-CQSZACIVSA-N 0 3 273.380 2.105 20 30 CEEDHN CN(CCN1CCCC1)c1c(C#N)nnc2ccccc21 ZINC000077217254 343911759 /nfs/dbraw/zinc/91/17/59/343911759.db2.gz IQVVLMFFVBCQAA-UHFFFAOYSA-N 0 3 281.363 2.033 20 30 CEEDHN CCC1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000048334899 362256329 /nfs/dbraw/zinc/25/63/29/362256329.db2.gz MKTSRIVXNPNMJH-MRXNPFEDSA-N 0 3 288.391 2.420 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCC(=C)Cl)CC1 ZINC000077791167 343933521 /nfs/dbraw/zinc/93/35/21/343933521.db2.gz GBIYQACAUFGXGS-UHFFFAOYSA-N 0 3 271.792 2.079 20 30 CEEDHN CC#CCN(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000081571023 344058636 /nfs/dbraw/zinc/05/86/36/344058636.db2.gz OBWREZFEKZHSRG-AWEZNQCLSA-N 0 3 288.391 2.238 20 30 CEEDHN N#Cc1cccc(CN(CCO)C2CCCCC2)n1 ZINC000602424754 347027453 /nfs/dbraw/zinc/02/74/53/347027453.db2.gz LPZVBBKIEAHLPV-UHFFFAOYSA-N 0 3 259.353 2.080 20 30 CEEDHN CC#CCN[C@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000090919552 344146628 /nfs/dbraw/zinc/14/66/28/344146628.db2.gz WSPKLINCZWHNLX-CYBMUJFWSA-N 0 3 277.364 2.394 20 30 CEEDHN CN(Cc1cccc(C#N)c1)CC(C)(C)N1CCOCC1 ZINC000602442364 347034521 /nfs/dbraw/zinc/03/45/21/347034521.db2.gz XJHXEZMQWRPNIK-UHFFFAOYSA-N 0 3 287.407 2.101 20 30 CEEDHN CC[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000117342773 344289153 /nfs/dbraw/zinc/28/91/53/344289153.db2.gz SXSPDPAPBAXNBH-CJNGLKHVSA-N 0 3 277.412 2.307 20 30 CEEDHN CN1CCC[C@@H](CNc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000125890997 344320975 /nfs/dbraw/zinc/32/09/75/344320975.db2.gz CWBVYZHMXSYQTJ-NSHDSACASA-N 0 3 274.324 2.220 20 30 CEEDHN C=CCN(CC=C)[C@H](CNc1ccc(C#N)nn1)C(C)C ZINC000122581408 344307033 /nfs/dbraw/zinc/30/70/33/344307033.db2.gz KJMJVSGQKXLUPG-OAHLLOKOSA-N 0 3 285.395 2.459 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)C(C)(C)CN1CCOCC1 ZINC000412091868 529983639 /nfs/dbraw/zinc/98/36/39/529983639.db2.gz MQPQUFAZFDRSPS-UHFFFAOYSA-N 0 3 287.407 2.101 20 30 CEEDHN COC(=O)CN(C[C@@H](C)CCC#N)C1CCCC1 ZINC000602486146 347056291 /nfs/dbraw/zinc/05/62/91/347056291.db2.gz PJVMBOLKLRARLX-LBPRGKRZSA-N 0 3 252.358 2.344 20 30 CEEDHN C[C@H](CCC#N)CNCc1nnc2n1CCCCC2 ZINC000602501596 347058598 /nfs/dbraw/zinc/05/85/98/347058598.db2.gz FHGUQIIAMKZIBS-GFCCVEGCSA-N 0 3 261.373 2.034 20 30 CEEDHN Cc1cccc(OCCNCc2cccc(C#N)n2)c1 ZINC000602501318 347058655 /nfs/dbraw/zinc/05/86/55/347058655.db2.gz DGGSUSHLTMSNEX-UHFFFAOYSA-N 0 3 267.332 2.430 20 30 CEEDHN COC(=O)CC1(NCc2cccc(C#N)n2)CCCCC1 ZINC000602506783 347060306 /nfs/dbraw/zinc/06/03/06/347060306.db2.gz PKIAPNVKXGRAMR-UHFFFAOYSA-N 0 3 287.363 2.309 20 30 CEEDHN C[C@H]1Cc2ccccc2N1CCNCc1cccc(C#N)n1 ZINC000602529341 347068089 /nfs/dbraw/zinc/06/80/89/347068089.db2.gz RLKOIKGEWFQEIZ-AWEZNQCLSA-N 0 3 292.386 2.494 20 30 CEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(CO)c1 ZINC000602540364 347070284 /nfs/dbraw/zinc/07/02/84/347070284.db2.gz MPKOWWYDNROXQU-AWEZNQCLSA-N 0 3 288.391 2.367 20 30 CEEDHN CCC(NC(=O)[C@@H](N)CCCCC#N)(C1CC1)C1CC1 ZINC000602535993 347069572 /nfs/dbraw/zinc/06/95/72/347069572.db2.gz UYLSFQHHPMIMAD-AWEZNQCLSA-N 0 3 277.412 2.483 20 30 CEEDHN N#Cc1cccc(OCCN2CCC[C@@H](CO)CC2)c1 ZINC000293341231 344691863 /nfs/dbraw/zinc/69/18/63/344691863.db2.gz YSBLPKYLHUWIHH-CQSZACIVSA-N 0 3 274.364 2.031 20 30 CEEDHN CN(CCNCc1cccc(C#N)n1)Cc1ccccc1 ZINC000602529792 347067471 /nfs/dbraw/zinc/06/74/71/347067471.db2.gz OYCJNIGQCWCGBT-UHFFFAOYSA-N 0 3 280.375 2.175 20 30 CEEDHN CC(C)CC[C@@](C)(O)CNCc1cccc(C#N)n1 ZINC000602554544 347074779 /nfs/dbraw/zinc/07/47/79/347074779.db2.gz AZHGNUJCUWDRRA-OAHLLOKOSA-N 0 3 261.369 2.230 20 30 CEEDHN CCC1(CNCc2cccc(C#N)n2)CCOCC1 ZINC000602561886 347078468 /nfs/dbraw/zinc/07/84/68/347078468.db2.gz QPSKMUWKJJBTMH-UHFFFAOYSA-N 0 3 259.353 2.250 20 30 CEEDHN C[C@@H](CCc1cccn1C)NC[C@H](C#N)CCC#N ZINC000581365241 344953380 /nfs/dbraw/zinc/95/33/80/344953380.db2.gz KKAYGZUEUBZPGP-KBPBESRZSA-N 0 3 258.369 2.379 20 30 CEEDHN C=CCOCCN1CC[C@H](OCc2c(C)noc2C)C1 ZINC000582594341 344954325 /nfs/dbraw/zinc/95/43/25/344954325.db2.gz LKSLSSRCBQSPHN-AWEZNQCLSA-N 0 3 280.368 2.085 20 30 CEEDHN CC(C)C[C@H](N)C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602576464 347085807 /nfs/dbraw/zinc/08/58/07/347085807.db2.gz OALIYTCIUOJBAH-INIZCTEOSA-N 0 3 285.391 2.011 20 30 CEEDHN C[C@H](C#N)CN[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000054179500 362517289 /nfs/dbraw/zinc/51/72/89/362517289.db2.gz JQBFVBNOPNFTMM-NEPJUHHUSA-N 0 3 260.337 2.486 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)CCCCCC#N ZINC000588282551 345044853 /nfs/dbraw/zinc/04/48/53/345044853.db2.gz HVUCZULMFFPMPQ-CQSZACIVSA-N 0 3 265.401 2.451 20 30 CEEDHN CN(C)Cc1ccccc1NC(=O)c1cccc(C#N)n1 ZINC000589299938 345076141 /nfs/dbraw/zinc/07/61/41/345076141.db2.gz YXMOJYBBRWWZKD-UHFFFAOYSA-N 0 3 280.331 2.267 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC(C(N)=O)(c3ccccc3)CC2)C1 ZINC000590161806 345118723 /nfs/dbraw/zinc/11/87/23/345118723.db2.gz YVJYANSJUMPCLE-ZBFHGGJFSA-N 0 3 297.402 2.198 20 30 CEEDHN CC(C)N1CCCC[C@@H]1CN1CC[C@](F)(C#N)C1 ZINC000590723932 345169297 /nfs/dbraw/zinc/16/92/97/345169297.db2.gz NGTIFPGWHWDAEQ-KGLIPLIRSA-N 0 3 253.365 2.187 20 30 CEEDHN COCC(COC)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000590779825 345180336 /nfs/dbraw/zinc/18/03/36/345180336.db2.gz IFFUYHHCSQVMMK-MRXNPFEDSA-N 0 3 274.364 2.187 20 30 CEEDHN CN1CC[C@H](NC(=O)CC2(C#N)CC2)[C@H]1c1ccccc1 ZINC000590318160 345127737 /nfs/dbraw/zinc/12/77/37/345127737.db2.gz VVSVQUUZUMVLRZ-GOEBONIOSA-N 0 3 283.375 2.242 20 30 CEEDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)s1 ZINC000590658581 345156611 /nfs/dbraw/zinc/15/66/11/345156611.db2.gz UGMIXPCLAXCFPR-NEPJUHHUSA-N 0 3 264.350 2.051 20 30 CEEDHN CN(C)[C@H](CC(=O)N1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC000591320321 345239790 /nfs/dbraw/zinc/23/97/90/345239790.db2.gz QZVBBEOLPALVEJ-GDBMZVCRSA-N 0 3 289.354 2.144 20 30 CEEDHN C[C@H](CCC#N)N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000591014689 345211769 /nfs/dbraw/zinc/21/17/69/345211769.db2.gz CWGRYQYGJVZKSL-CQSZACIVSA-N 0 3 285.391 2.198 20 30 CEEDHN CO[C@](C)([C@@H](C)NCc1ccnc(C#N)c1)C1CC1 ZINC000591048560 345214712 /nfs/dbraw/zinc/21/47/12/345214712.db2.gz JSVUFQQVTMWOFT-IAQYHMDHSA-N 0 3 259.353 2.246 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2CC[C@H](C3CCC3)C2)cc1 ZINC000591061871 345215588 /nfs/dbraw/zinc/21/55/88/345215588.db2.gz LUZGCPDDKDZSQJ-KRWDZBQOSA-N 0 3 297.402 2.296 20 30 CEEDHN CC(C)(CCNC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000591601997 345269236 /nfs/dbraw/zinc/26/92/36/345269236.db2.gz OSHCGBZOUPTCTP-HNNXBMFYSA-N 0 3 287.407 2.492 20 30 CEEDHN Cc1ccc2c(c1)[C@H](NC(=O)[C@H](N)CCCC#N)CC2 ZINC000591613270 345269439 /nfs/dbraw/zinc/26/94/39/345269439.db2.gz MIITWTVVQXKVBT-HUUCEWRRSA-N 0 3 271.364 2.120 20 30 CEEDHN COCCC1CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000591784891 345280397 /nfs/dbraw/zinc/28/03/97/345280397.db2.gz WZHXJWDLTYHLFG-INIZCTEOSA-N 0 3 286.375 2.254 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(CC)CCSC)CC1 ZINC000591931430 345302756 /nfs/dbraw/zinc/30/27/56/345302756.db2.gz NOJLBCVNBDOVAN-UHFFFAOYSA-N 0 3 299.484 2.421 20 30 CEEDHN C[C@H]1CCN(Cc2cnc3c(C#N)cnn3c2)C[C@H](C)C1 ZINC000592505529 345362006 /nfs/dbraw/zinc/36/20/06/345362006.db2.gz YOKHEAQKYFLIFV-QWHCGFSZSA-N 0 3 283.379 2.469 20 30 CEEDHN N#CC[C@]1(O)CCN(CCCc2ccsc2)C1 ZINC000592152022 345331181 /nfs/dbraw/zinc/33/11/81/345331181.db2.gz TXSFOIPHEAOFND-ZDUSSCGKSA-N 0 3 250.367 2.031 20 30 CEEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC23CCCC3)cc1 ZINC000592999645 345420804 /nfs/dbraw/zinc/42/08/04/345420804.db2.gz CCQZEBCYXQKBNV-HNNXBMFYSA-N 0 3 286.375 2.316 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCc2ccccc2[C@@H](C)C1 ZINC000593095238 345437541 /nfs/dbraw/zinc/43/75/41/345437541.db2.gz MAYTZCTXFZOPGA-LSDHHAIUSA-N 0 3 299.418 2.409 20 30 CEEDHN CN(CCN1CCCCC1)c1nc2c(cc1C#N)CCC2 ZINC000593518384 345502606 /nfs/dbraw/zinc/50/26/06/345502606.db2.gz YQLZKKQQMNQBBM-UHFFFAOYSA-N 0 3 284.407 2.364 20 30 CEEDHN CCN1CCC(NC(=O)N2Cc3cccc(C#N)c3C2)CC1 ZINC000593296696 345463651 /nfs/dbraw/zinc/46/36/51/345463651.db2.gz UGAHQJMZVLTENY-UHFFFAOYSA-N 0 3 298.390 2.068 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593352204 345469395 /nfs/dbraw/zinc/46/93/95/345469395.db2.gz DHMZXRNKEVSNSZ-OAHLLOKOSA-N 0 3 298.390 2.068 20 30 CEEDHN CCC(C#N)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)OC ZINC000593686011 345520893 /nfs/dbraw/zinc/52/08/93/345520893.db2.gz JDQFAKHYPRGGMU-OCCSQVGLSA-N 0 3 288.347 2.126 20 30 CEEDHN CC[C@H](C#N)C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000593897556 345550336 /nfs/dbraw/zinc/55/03/36/345550336.db2.gz QNAWGXLAQXMTJP-XQQFMLRXSA-N 0 3 277.368 2.375 20 30 CEEDHN CN(C)C1(CNC(=O)CCCCC#N)Cc2ccccc2C1 ZINC000593983655 345560289 /nfs/dbraw/zinc/56/02/89/345560289.db2.gz GQMQEVNODQHYOP-UHFFFAOYSA-N 0 3 299.418 2.286 20 30 CEEDHN CCN(C)C(=O)CCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032088 345569853 /nfs/dbraw/zinc/56/98/53/345569853.db2.gz OXHHBLKTFNKHPX-UHFFFAOYSA-N 0 3 285.391 2.395 20 30 CEEDHN N#Cc1ccc(C2(NCCN3CCCC3=O)CCC2)cc1 ZINC000594031609 345569863 /nfs/dbraw/zinc/56/98/63/345569863.db2.gz JKMSDTZJEOELKX-UHFFFAOYSA-N 0 3 283.375 2.149 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)CCCCC#N)C1 ZINC000594044313 345572260 /nfs/dbraw/zinc/57/22/60/345572260.db2.gz OMMNCKAPSLVJEY-ZDUSSCGKSA-N 0 3 251.374 2.011 20 30 CEEDHN CC(=O)NC1CCC(NCC2(C#N)CCCC2)CC1 ZINC000593653418 345517078 /nfs/dbraw/zinc/51/70/78/345517078.db2.gz KOLWANFEJMAFSP-UHFFFAOYSA-N 0 3 263.385 2.107 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CCCCC1 ZINC000594233356 345601729 /nfs/dbraw/zinc/60/17/29/345601729.db2.gz CULDZFQBLLKRTN-HNNXBMFYSA-N 0 3 299.418 2.339 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)CCCCC#N ZINC000594251024 345604836 /nfs/dbraw/zinc/60/48/36/345604836.db2.gz YHXRRTFLGREGAE-ZDUSSCGKSA-N 0 3 253.390 2.163 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1CN(C)C ZINC000594283260 345608657 /nfs/dbraw/zinc/60/86/57/345608657.db2.gz VOLHIWJVSSKCHT-PBHICJAKSA-N 0 3 299.418 2.289 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000594300501 345610411 /nfs/dbraw/zinc/61/04/11/345610411.db2.gz ABXKADVKHOZGPW-KEYYUXOJSA-N 0 3 299.418 2.336 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC000594371404 345618220 /nfs/dbraw/zinc/61/82/20/345618220.db2.gz IEPAQPCOCHDWAV-KBPBESRZSA-N 0 3 285.391 2.419 20 30 CEEDHN CCC(C#N)C(=O)NC[C@H](C(=O)OC(C)(C)C)C(C)C ZINC000594395223 345620764 /nfs/dbraw/zinc/62/07/64/345620764.db2.gz WMSNKBDMPXNKIE-RYUDHWBXSA-N 0 3 282.384 2.266 20 30 CEEDHN CC(C)CN(C(=O)[C@H](N)CCCCC#N)C(C)C ZINC000594426250 345626423 /nfs/dbraw/zinc/62/64/23/345626423.db2.gz CFAYBHKXEGLKBY-CYBMUJFWSA-N 0 3 253.390 2.291 20 30 CEEDHN C[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594427004 345626759 /nfs/dbraw/zinc/62/67/59/345626759.db2.gz SDFPIYRPAPJFAC-JHJVBQTASA-N 0 3 251.374 2.093 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000594428881 345627046 /nfs/dbraw/zinc/62/70/46/345627046.db2.gz PQFQIYHURSLIMY-JKSUJKDBSA-N 0 3 285.391 2.414 20 30 CEEDHN CC(C)CN(C(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000594428244 345627075 /nfs/dbraw/zinc/62/70/75/345627075.db2.gz KVNDJYUALNVLMO-CYBMUJFWSA-N 0 3 251.374 2.045 20 30 CEEDHN Cc1cc(NC(=O)[C@H](N)CCCCC#N)ccc1F ZINC000594427726 345627320 /nfs/dbraw/zinc/62/73/20/345627320.db2.gz IVADBGHBYRJLGQ-CYBMUJFWSA-N 0 3 263.316 2.484 20 30 CEEDHN CC(C)C[C@@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594430094 345627808 /nfs/dbraw/zinc/62/78/08/345627808.db2.gz YSBAEEBXRHSXOR-KBPBESRZSA-N 0 3 265.401 2.435 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000594432041 345628251 /nfs/dbraw/zinc/62/82/51/345628251.db2.gz VXFPUZYQWXNHIK-RDBSUJKOSA-N 0 3 263.385 2.189 20 30 CEEDHN C[C@@H]1CCC[C@@H](CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594431212 345628725 /nfs/dbraw/zinc/62/87/25/345628725.db2.gz JSAYFOFQVNNYAQ-MGPQQGTHSA-N 0 3 265.401 2.340 20 30 CEEDHN CCCO[C@@H]1CCCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594434220 345629125 /nfs/dbraw/zinc/62/91/25/345629125.db2.gz LOFUCCCLMREKTI-HUUCEWRRSA-N 0 3 295.427 2.205 20 30 CEEDHN CC[C@@]1(C)CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594433751 345629357 /nfs/dbraw/zinc/62/93/57/345629357.db2.gz RYZJMHYKXLMQBI-OCCSQVGLSA-N 0 3 251.374 2.046 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCc1cc(F)ccc1F ZINC000594433526 345629435 /nfs/dbraw/zinc/62/94/35/345629435.db2.gz GHWTVUHBNNQTGA-AWEZNQCLSA-N 0 3 295.333 2.035 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCCc1cccc(F)c1 ZINC000594434994 345630160 /nfs/dbraw/zinc/63/01/60/345630160.db2.gz YHOQMSTVVNUHRQ-HNNXBMFYSA-N 0 3 291.370 2.286 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000594438426 345630430 /nfs/dbraw/zinc/63/04/30/345630430.db2.gz USRMLMVBRDPIFD-INIZCTEOSA-N 0 3 297.402 2.472 20 30 CEEDHN CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1nc(C)cs1 ZINC000594438197 345630505 /nfs/dbraw/zinc/63/05/05/345630505.db2.gz NCTRIWNINSHQCJ-NWDGAFQWSA-N 0 3 294.424 2.430 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000594437599 345630695 /nfs/dbraw/zinc/63/06/95/345630695.db2.gz CYBNKOWVIZUKRM-HUUCEWRRSA-N 0 3 286.379 2.156 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCc2c1cccc2F ZINC000594439059 345631035 /nfs/dbraw/zinc/63/10/35/345631035.db2.gz ZWXGDHXATWMDSL-CYBMUJFWSA-N 0 3 275.327 2.126 20 30 CEEDHN CN(C(=O)[C@@H](N)CCCCC#N)C(C1CC1)C1CC1 ZINC000594439860 345631199 /nfs/dbraw/zinc/63/11/99/345631199.db2.gz RPSMLCXRWITCEW-ZDUSSCGKSA-N 0 3 263.385 2.045 20 30 CEEDHN CC(C)(CNC(=O)[C@@H](N)CCCCC#N)[C@@H]1CCCCO1 ZINC000594445724 345632732 /nfs/dbraw/zinc/63/27/32/345632732.db2.gz KQSRXTMZBXVAFR-KBPBESRZSA-N 0 3 295.427 2.109 20 30 CEEDHN C[C@@H](N(C)C(=O)[C@H](N)CCCCC#N)C1(C)CC1 ZINC000594445631 345632854 /nfs/dbraw/zinc/63/28/54/345632854.db2.gz JIPWESSBTGFGRI-VXGBXAGGSA-N 0 3 251.374 2.045 20 30 CEEDHN CCSCC[C@H](C)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594446770 345632859 /nfs/dbraw/zinc/63/28/59/345632859.db2.gz XJBXDLCCYBSSBE-STQMWFEESA-N 0 3 285.457 2.388 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594447678 345633367 /nfs/dbraw/zinc/63/33/67/345633367.db2.gz VEGVUDJERPVWHC-RDBSUJKOSA-N 0 3 265.401 2.435 20 30 CEEDHN N#Cc1cccc(-n2cc(CCN3CCCCC3)nn2)c1 ZINC000594651717 345667103 /nfs/dbraw/zinc/66/71/03/345667103.db2.gz JJJKQGGOUUHYNM-UHFFFAOYSA-N 0 3 281.363 2.167 20 30 CEEDHN CCN1C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)CC1=O ZINC000594507627 345640041 /nfs/dbraw/zinc/64/00/41/345640041.db2.gz OGGDHQCNKUNXPL-HNNXBMFYSA-N 0 3 285.391 2.198 20 30 CEEDHN CCC[C@@H](O)[C@H](CO)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594506902 345640157 /nfs/dbraw/zinc/64/01/57/345640157.db2.gz HCXOIQVENDTSOJ-JKSUJKDBSA-N 0 3 290.407 2.099 20 30 CEEDHN CC[C@H](NCc1ccc(C(C)(C)C#N)cc1)C(=O)NC ZINC000594508702 345640257 /nfs/dbraw/zinc/64/02/57/345640257.db2.gz UTGRWKPKMXYOCQ-AWEZNQCLSA-N 0 3 273.380 2.102 20 30 CEEDHN C=CCCSCCNC(=O)NCCN1CCCC[C@H]1C ZINC000594684685 345671561 /nfs/dbraw/zinc/67/15/61/345671561.db2.gz GVHXBJKQJXBWQR-CQSZACIVSA-N 0 3 299.484 2.469 20 30 CEEDHN Cc1cc(C)cc(CNC(=O)[C@H](N)CCCCC#N)c1 ZINC000595266978 345751750 /nfs/dbraw/zinc/75/17/50/345751750.db2.gz CFOWEIYYBDOIKB-OAHLLOKOSA-N 0 3 273.380 2.331 20 30 CEEDHN C[C@H](Cn1cncn1)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594919316 345701944 /nfs/dbraw/zinc/70/19/44/345701944.db2.gz XJAIBGDDICUFLW-CYBMUJFWSA-N 0 3 281.363 2.012 20 30 CEEDHN Cn1ncc(C2CC2)c1CNCCOc1ccc(C#N)cc1 ZINC000594930343 345706200 /nfs/dbraw/zinc/70/62/00/345706200.db2.gz VCVGZQOGJRBYAR-UHFFFAOYSA-N 0 3 296.374 2.338 20 30 CEEDHN CNC(=O)[C@@H](NCc1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000594935572 345708988 /nfs/dbraw/zinc/70/89/88/345708988.db2.gz AUTOIKOJTCRIIF-HNNXBMFYSA-N 0 3 285.391 2.102 20 30 CEEDHN C[C@@H](C[S@@](C)=O)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594943805 345712231 /nfs/dbraw/zinc/71/22/31/345712231.db2.gz QDKAUOQNWCEXFJ-HXPMCKFVSA-N 0 3 276.405 2.098 20 30 CEEDHN C=CCCSCCNCc1cnc(N2CCCC2)nc1 ZINC000594960246 345717010 /nfs/dbraw/zinc/71/70/10/345717010.db2.gz NVBLDXVDBPEZQJ-UHFFFAOYSA-N 0 3 292.452 2.476 20 30 CEEDHN CO[C@@H]1CCC[C@H]([C@H](CO)NCc2ccc(C#N)s2)C1 ZINC000594962341 345717719 /nfs/dbraw/zinc/71/77/19/345717719.db2.gz DASFPJOPXLWJTF-ZOWXZIJZSA-N 0 3 294.420 2.275 20 30 CEEDHN C=CCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594970133 345719860 /nfs/dbraw/zinc/71/98/60/345719860.db2.gz UGFDJTHJKOYOLM-UHFFFAOYSA-N 0 3 264.281 2.032 20 30 CEEDHN C[C@H](c1ccccc1)[C@H](O)CNCc1ccc(C#N)o1 ZINC000595001657 345723963 /nfs/dbraw/zinc/72/39/63/345723963.db2.gz UWURAODIFFMDBI-MLGOLLRUSA-N 0 3 270.332 2.405 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2cnc(C(F)(F)F)nc2)C1 ZINC000595060753 345737375 /nfs/dbraw/zinc/73/73/75/345737375.db2.gz OXKLNHFSUIQROC-PSASIEDQSA-N 0 3 270.258 2.277 20 30 CEEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)[C@@H]1CCOC1 ZINC000595060623 345737506 /nfs/dbraw/zinc/73/75/06/345737506.db2.gz MZJLPEQLOHLSIQ-NORZTCDRSA-N 0 3 292.354 2.399 20 30 CEEDHN COC[C@H](CN(C)[C@@H](C)c1cccc(C#N)c1)OC ZINC000595549422 345810083 /nfs/dbraw/zinc/81/00/83/345810083.db2.gz IZAFACUBQJDWQC-WFASDCNBSA-N 0 3 262.353 2.212 20 30 CEEDHN CC[C@@H](C)N(CC)CC(=O)NCc1ccc(C#N)cc1 ZINC000595593063 345820629 /nfs/dbraw/zinc/82/06/29/345820629.db2.gz MWSODJXUCMUQRX-CYBMUJFWSA-N 0 3 273.380 2.295 20 30 CEEDHN CN(CCc1ccc(C#N)cc1)CCc1cnccn1 ZINC000595409178 345775918 /nfs/dbraw/zinc/77/59/18/345775918.db2.gz NDCBGPGJMPRAKK-UHFFFAOYSA-N 0 3 266.348 2.065 20 30 CEEDHN C[C@@H]1CCCN(CCOc2ccccc2C#N)[C@@H]1CCO ZINC000595691393 345849615 /nfs/dbraw/zinc/84/96/15/345849615.db2.gz APGZZWCIAZGGJI-GDBMZVCRSA-N 0 3 288.391 2.420 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H]1Cc2ccccc2[C@@H]1C ZINC000595705268 345855118 /nfs/dbraw/zinc/85/51/18/345855118.db2.gz FWFDNJZIQYIJAD-XCRHUMRWSA-N 0 3 299.418 2.359 20 30 CEEDHN CO[C@@H]1[C@@H](C)[C@@H](NCc2cccc(C#N)n2)C1(C)C ZINC000602582062 347087728 /nfs/dbraw/zinc/08/77/28/347087728.db2.gz NFRYNFNNMWQJTG-ZLKJLUDKSA-N 0 3 259.353 2.102 20 30 CEEDHN Cc1cccc(OC[C@H](O)CN2CCC[C@H](CC#N)C2)c1 ZINC000595609392 345825818 /nfs/dbraw/zinc/82/58/18/345825818.db2.gz JHVAEHFNNKDLOV-HZPDHXFCSA-N 0 3 288.391 2.360 20 30 CEEDHN N#CC[C@H]1CCCN(C[C@@H](O)Cc2ccccc2)C1 ZINC000595619424 345830133 /nfs/dbraw/zinc/83/01/33/345830133.db2.gz ASUMBVFKUFAQST-CVEARBPZSA-N 0 3 258.365 2.216 20 30 CEEDHN CN(CCC1(C#N)CCCCC1)C[C@@H]1COCCO1 ZINC000595738559 345863238 /nfs/dbraw/zinc/86/32/38/345863238.db2.gz WDZQZSYFRYGSBK-CQSZACIVSA-N 0 3 266.385 2.198 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC000595828417 345887566 /nfs/dbraw/zinc/88/75/66/345887566.db2.gz DOVNGQCVOQVCSS-CABCVRRESA-N 0 3 272.348 2.035 20 30 CEEDHN CC[C@@H](NCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000595766490 345871185 /nfs/dbraw/zinc/87/11/85/345871185.db2.gz WPJDHXDUHNRYJY-CQSZACIVSA-N 0 3 257.337 2.275 20 30 CEEDHN CC[C@H](NCC(=O)Nc1sccc1C#N)C1CC1 ZINC000595765616 345871207 /nfs/dbraw/zinc/87/12/07/345871207.db2.gz MIAALDCBRMEJOI-NSHDSACASA-N 0 3 263.366 2.336 20 30 CEEDHN CC(C)NC(=O)[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000595848402 345898000 /nfs/dbraw/zinc/89/80/00/345898000.db2.gz AJQBKVQCYGMSPF-MRXNPFEDSA-N 0 3 285.391 2.295 20 30 CEEDHN N#Cc1ccc2c(c1)CN(C(=O)C1(NC3CC3)CCC1)C2 ZINC000595958927 345917359 /nfs/dbraw/zinc/91/73/59/345917359.db2.gz KGCNUSAKDIEKBP-UHFFFAOYSA-N 0 3 281.359 2.075 20 30 CEEDHN Cc1ccc(C#N)nc1N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000596155356 345954637 /nfs/dbraw/zinc/95/46/37/345954637.db2.gz IPEVUERFSIQKDR-WCQYABFASA-N 0 3 256.353 2.299 20 30 CEEDHN CCN1C[C@@H](C)N(c2nc3ncccc3cc2C#N)C[C@H]1C ZINC000596176228 345960688 /nfs/dbraw/zinc/96/06/88/345960688.db2.gz BMAHWJRAGUXMNS-CHWSQXEVSA-N 0 3 295.390 2.420 20 30 CEEDHN N#Cc1cnnc(N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000596071213 345932881 /nfs/dbraw/zinc/93/28/81/345932881.db2.gz LYNDAYAECJYVFU-MRXNPFEDSA-N 0 3 293.374 2.019 20 30 CEEDHN CN(C)[C@H](CNc1c(C#N)cnn1C)c1ccc(F)cc1 ZINC000596086633 345936743 /nfs/dbraw/zinc/93/67/43/345936743.db2.gz UZQNUXLFBBARJR-CQSZACIVSA-N 0 3 287.342 2.146 20 30 CEEDHN CN1CC[C@@H]2CCN(c3nc4ncccc4cc3C#N)[C@H]2C1 ZINC000596189757 345964813 /nfs/dbraw/zinc/96/48/13/345964813.db2.gz QUHMDUCAJDPPBL-DOMZBBRYSA-N 0 3 293.374 2.032 20 30 CEEDHN C=CCSCCNC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000596214404 345971321 /nfs/dbraw/zinc/97/13/21/345971321.db2.gz CSIHAOUJHHGSJU-CYBMUJFWSA-N 0 3 285.457 2.031 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1c(C#N)cnn1C ZINC000596220071 345973523 /nfs/dbraw/zinc/97/35/23/345973523.db2.gz VJWYUIJHWRAXCH-CZUORRHYSA-N 0 3 295.390 2.224 20 30 CEEDHN CN1CC[C@@]2(CCN(c3nc4ncccc4cc3C#N)C2)C1 ZINC000596241438 345978265 /nfs/dbraw/zinc/97/82/65/345978265.db2.gz FGPWPVDGIPITLI-QGZVFWFLSA-N 0 3 293.374 2.033 20 30 CEEDHN Cc1ccc2ncc(C#N)c(N(C)CC3CN(C)C3)c2c1 ZINC000596453387 346027832 /nfs/dbraw/zinc/02/78/32/346027832.db2.gz KUNQUAFJVKPIJQ-UHFFFAOYSA-N 0 3 280.375 2.413 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000596480586 346034109 /nfs/dbraw/zinc/03/41/09/346034109.db2.gz SKACMLFHDPZSAH-LSDHHAIUSA-N 0 3 292.427 2.196 20 30 CEEDHN CN1CCCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000596629137 346068146 /nfs/dbraw/zinc/06/81/46/346068146.db2.gz CNABCEKEPBXXNJ-UHFFFAOYSA-N 0 3 263.385 2.015 20 30 CEEDHN C=CCCSCCNC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000596722202 346080693 /nfs/dbraw/zinc/08/06/93/346080693.db2.gz PWTXDDLVDVTOBF-CQSZACIVSA-N 0 3 297.468 2.175 20 30 CEEDHN CCN(C(=O)Nc1ccc(F)cc1C#N)[C@@H]1CCN(C)C1 ZINC000596784077 346090038 /nfs/dbraw/zinc/09/00/38/346090038.db2.gz ONONNFDZYZBFJX-CYBMUJFWSA-N 0 3 290.342 2.255 20 30 CEEDHN COc1ccc(CN(C)C)cc1NC(=O)[C@@H](C)CC#N ZINC000596786229 346090060 /nfs/dbraw/zinc/09/00/60/346090060.db2.gz YPQCBJSIOMQHED-NSHDSACASA-N 0 3 275.352 2.245 20 30 CEEDHN CCN(C(=O)NCC1(C#N)CCCCC1)[C@H]1CCN(C)C1 ZINC000596858989 346096763 /nfs/dbraw/zinc/09/67/63/346096763.db2.gz DJIIZCKPHRSHHV-AWEZNQCLSA-N 0 3 292.427 2.196 20 30 CEEDHN N#Cc1ccc(CN2CCCc3[nH]ncc3C2)s1 ZINC000596592457 346062041 /nfs/dbraw/zinc/06/20/41/346062041.db2.gz GEIQGQHUETZOSW-UHFFFAOYSA-N 0 3 258.350 2.291 20 30 CEEDHN Cn1ncc2c1CC(C)(C)CN(CCCCC#N)C2 ZINC000596598431 346062717 /nfs/dbraw/zinc/06/27/17/346062717.db2.gz FYIAAKGYGMUWIR-UHFFFAOYSA-N 0 3 260.385 2.498 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H](CC#N)C1 ZINC000596599801 346063208 /nfs/dbraw/zinc/06/32/08/346063208.db2.gz VFEUGERCICCZBS-GJZGRUSLSA-N 0 3 292.427 2.196 20 30 CEEDHN CCN(C(=O)NCC(C)(C)CCC#N)[C@@H]1CCN(CC)C1 ZINC000596601797 346063367 /nfs/dbraw/zinc/06/33/67/346063367.db2.gz VVJICFDWWRWDIV-CQSZACIVSA-N 0 3 294.443 2.442 20 30 CEEDHN N#CC1(CC(=O)N[C@H]2CCN(C3CC3)C2)CCCCC1 ZINC000596928240 346107467 /nfs/dbraw/zinc/10/74/67/346107467.db2.gz NUVLPACXRVHHMT-ZDUSSCGKSA-N 0 3 275.396 2.203 20 30 CEEDHN COC(=O)[C@@H](C)CN(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596992395 346112470 /nfs/dbraw/zinc/11/24/70/346112470.db2.gz RRQYKPHUZKPQDJ-ZDUSSCGKSA-N 0 3 286.375 2.483 20 30 CEEDHN C[C@]1(O)CCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597026569 346117028 /nfs/dbraw/zinc/11/70/28/346117028.db2.gz OOHQMVLXJWZQKM-HNNXBMFYSA-N 0 3 256.349 2.198 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(C)c(C(=O)OC)o1 ZINC000597119671 346130756 /nfs/dbraw/zinc/13/07/56/346130756.db2.gz TUXIGOMIZMYWMD-TZMCWYRMSA-N 0 3 293.363 2.445 20 30 CEEDHN COc1cc(CN[C@H]2CO[C@H](C3CC3)C2)ccc1C#N ZINC000597133496 346133437 /nfs/dbraw/zinc/13/34/37/346133437.db2.gz UIIULXZWBVJOAL-ZBFHGGJFSA-N 0 3 272.348 2.224 20 30 CEEDHN CN(C(=O)CC1(C#N)CCCCC1)[C@@H]1CN2CCC1CC2 ZINC000597207564 346148703 /nfs/dbraw/zinc/14/87/03/346148703.db2.gz DXQKJLMKVWNXSV-OAHLLOKOSA-N 0 3 289.423 2.403 20 30 CEEDHN C[C@@H]1CN(Cc2cc(C#N)cs2)C[C@]1(C)CO ZINC000597234456 346157615 /nfs/dbraw/zinc/15/76/15/346157615.db2.gz AEZMCDUWLGWYKL-ZWNOBZJWSA-N 0 3 250.367 2.070 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000597453301 346188016 /nfs/dbraw/zinc/18/80/16/346188016.db2.gz RDUOBNDISVCYMH-SNPRPXQTSA-N 0 3 271.364 2.098 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000597924922 346254210 /nfs/dbraw/zinc/25/42/10/346254210.db2.gz VEBVMLZLRLUJGD-GUYCJALGSA-N 0 3 289.423 2.449 20 30 CEEDHN CCN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CCN(C)C1 ZINC000597945048 346255942 /nfs/dbraw/zinc/25/59/42/346255942.db2.gz GYQJULKXELBOBL-CYBMUJFWSA-N 0 3 291.782 2.378 20 30 CEEDHN C[C@H]1CCN(CC(=O)NC(C)(C)c2cccc(C#N)c2)C1 ZINC000597954743 346257746 /nfs/dbraw/zinc/25/77/46/346257746.db2.gz KQPGXHBZAHQSJA-ZDUSSCGKSA-N 0 3 285.391 2.251 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@H]2C2CCOCC2)n1 ZINC000602586060 347089424 /nfs/dbraw/zinc/08/94/24/347089424.db2.gz XIJKNDPCACRHHT-INIZCTEOSA-N 0 3 271.364 2.344 20 30 CEEDHN Cc1[nH]cnc1CC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000597957468 346258329 /nfs/dbraw/zinc/25/83/29/346258329.db2.gz XNTSEOVKTJPMSE-UHFFFAOYSA-N 0 3 282.347 2.184 20 30 CEEDHN CCN(C(=O)c1cc(C#N)oc1C)[C@@H]1CCN(CC)C1 ZINC000598038604 346273642 /nfs/dbraw/zinc/27/36/42/346273642.db2.gz FBZLUIMBUXXEKT-GFCCVEGCSA-N 0 3 275.352 2.016 20 30 CEEDHN CCO[C@H]1C[C@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000598059377 346276729 /nfs/dbraw/zinc/27/67/29/346276729.db2.gz AKXQWWSJLOGTGM-BZUAXINKSA-N 0 3 286.375 2.443 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)COc1c(F)cccc1F ZINC000598153424 346300541 /nfs/dbraw/zinc/30/05/41/346300541.db2.gz KKNIUGKWYZZPRG-BDAKNGLRSA-N 0 3 268.263 2.008 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000598116582 346292035 /nfs/dbraw/zinc/29/20/35/346292035.db2.gz PSQWZIUNNVAERP-BDAKNGLRSA-N 0 3 298.268 2.319 20 30 CEEDHN C[C@@H](O)[C@H]1CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000598240047 346314174 /nfs/dbraw/zinc/31/41/74/346314174.db2.gz XPBMKQCRLKIZPR-FVQBIDKESA-N 0 3 286.375 2.131 20 30 CEEDHN CC12CC(C1)CN2C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598572588 346376422 /nfs/dbraw/zinc/37/64/22/346376422.db2.gz XOHRMYIMGHAFSA-CKDBGZEDSA-N 0 3 279.343 2.251 20 30 CEEDHN CN(CCOc1ccc(F)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598585003 346377719 /nfs/dbraw/zinc/37/77/19/346377719.db2.gz NEAPSHJTSIZGGY-CQSZACIVSA-N 0 3 294.370 2.437 20 30 CEEDHN Cn1cncc1[C@@H]1CCCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598589175 346378348 /nfs/dbraw/zinc/37/83/48/346378348.db2.gz DVOPHFRDKPZPMR-KBPBESRZSA-N 0 3 290.411 2.248 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598587186 346378806 /nfs/dbraw/zinc/37/88/06/346378806.db2.gz OSYJWQHQFYHASO-HNNXBMFYSA-N 0 3 271.364 2.291 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000598596632 346381074 /nfs/dbraw/zinc/38/10/74/346381074.db2.gz QRERPKMYXMENNU-ZIAGYGMSSA-N 0 3 276.384 2.237 20 30 CEEDHN Cc1cc(C2CCN(C[C@H](O)CC(C)(C)C#N)CC2)n[nH]1 ZINC000598601970 346381872 /nfs/dbraw/zinc/38/18/72/346381872.db2.gz YCWANHOBOYGGQY-CQSZACIVSA-N 0 3 290.411 2.198 20 30 CEEDHN Cn1cc([C@@H]2CCCCN2C[C@@H](O)CC(C)(C)C#N)cn1 ZINC000598613470 346383726 /nfs/dbraw/zinc/38/37/26/346383726.db2.gz ICJCUXGTNPSEHA-GJZGRUSLSA-N 0 3 290.411 2.248 20 30 CEEDHN CC(C)CN(Cc1cnn(C)c1)C[C@H](O)CC(C)(C)C#N ZINC000598621002 346385950 /nfs/dbraw/zinc/38/59/50/346385950.db2.gz QQGJZOTYQQSTAO-OAHLLOKOSA-N 0 3 292.427 2.179 20 30 CEEDHN Cc1ccc(CN(C)C[C@H](O)CC(C)(C)C#N)nc1 ZINC000598620227 346386241 /nfs/dbraw/zinc/38/62/41/346386241.db2.gz KDQYOBKCCIRUQL-CQSZACIVSA-N 0 3 261.369 2.123 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H](OC2CCC2)C1 ZINC000598624021 346387017 /nfs/dbraw/zinc/38/70/17/346387017.db2.gz VQGVYHJLMWIQBS-DZGCQCFKSA-N 0 3 280.412 2.321 20 30 CEEDHN C[C@H]1COC2(CCCC2)CN1C[C@H](O)CC(C)(C)C#N ZINC000598626797 346387812 /nfs/dbraw/zinc/38/78/12/346387812.db2.gz ACTRSYQIBYKUPZ-UONOGXRCSA-N 0 3 280.412 2.321 20 30 CEEDHN C[C@@H]1CCN(Cc2cc(C#N)cs2)C[C@@H]1CO ZINC000598676488 346398389 /nfs/dbraw/zinc/39/83/89/346398389.db2.gz ITIUMCAQUJJXHM-ZYHUDNBSSA-N 0 3 250.367 2.070 20 30 CEEDHN COc1ccc(CNC[C@@H](O)CC(C)(C)C#N)c(OC)c1 ZINC000598715901 346406430 /nfs/dbraw/zinc/40/64/30/346406430.db2.gz URPLSJCBRTVSEG-ZDUSSCGKSA-N 0 3 292.379 2.094 20 30 CEEDHN Cc1ccc2[nH]c(CNC[C@@H](O)CC(C)(C)C#N)nc2c1 ZINC000598721043 346408136 /nfs/dbraw/zinc/40/81/36/346408136.db2.gz SJEWCAJJFGNPAS-LBPRGKRZSA-N 0 3 286.379 2.262 20 30 CEEDHN Cc1ccc2nc(CNC[C@@H](O)CC(C)(C)C#N)[nH]c2c1 ZINC000598721043 346408141 /nfs/dbraw/zinc/40/81/41/346408141.db2.gz SJEWCAJJFGNPAS-LBPRGKRZSA-N 0 3 286.379 2.262 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(C#N)cc1F ZINC000598721136 346408193 /nfs/dbraw/zinc/40/81/93/346408193.db2.gz STXSGJVXFZVICJ-CYBMUJFWSA-N 0 3 275.327 2.088 20 30 CEEDHN COC[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccccc1 ZINC000599348146 346503361 /nfs/dbraw/zinc/50/33/61/346503361.db2.gz CSWAJJYRDSFXFW-CABCVRRESA-N 0 3 274.364 2.018 20 30 CEEDHN CN(CCc1ccncc1)Cc1cccc(C#N)n1 ZINC000602606575 347098063 /nfs/dbraw/zinc/09/80/63/347098063.db2.gz BABAGWPVMVQISP-UHFFFAOYSA-N 0 3 252.321 2.023 20 30 CEEDHN COC[C@@H](NCc1ccc(C)c(C#N)c1)[C@H]1CCCO1 ZINC000599393063 346512958 /nfs/dbraw/zinc/51/29/58/346512958.db2.gz COXRVUGRPXSUFI-HZPDHXFCSA-N 0 3 274.364 2.150 20 30 CEEDHN Cc1ccc(CN[C@@H](C)Cn2cccn2)cc1C#N ZINC000599290620 346491290 /nfs/dbraw/zinc/49/12/90/346491290.db2.gz XNLUADOOOWGTHM-ZDUSSCGKSA-N 0 3 254.337 2.242 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H](C2CCC2)CC1 ZINC000602607954 347099474 /nfs/dbraw/zinc/09/94/74/347099474.db2.gz AKHRGGQGPWUILI-HUUCEWRRSA-N 0 3 277.412 2.436 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CCCC2(CC2)CC1)C1CC1 ZINC000599672538 346560635 /nfs/dbraw/zinc/56/06/35/346560635.db2.gz FIUPQZRGRDTCIB-OAHLLOKOSA-N 0 3 275.396 2.061 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000599525931 346532315 /nfs/dbraw/zinc/53/23/15/346532315.db2.gz BYOLNZZYCHKPTR-AWEZNQCLSA-N 0 3 283.375 2.072 20 30 CEEDHN COC[C@@H]1CCCCN(Cc2cccc(C#N)n2)C1 ZINC000602612003 347102192 /nfs/dbraw/zinc/10/21/92/347102192.db2.gz PQVAXFDBDDVRLJ-CYBMUJFWSA-N 0 3 259.353 2.202 20 30 CEEDHN CC(C)CC[C@@H](CO)NCc1cnc2ccc(C#N)cn12 ZINC000600190750 346619119 /nfs/dbraw/zinc/61/91/19/346619119.db2.gz MCFVUQAWHZAPBL-AWEZNQCLSA-N 0 3 286.379 2.093 20 30 CEEDHN N#CC1(Cc2cn(CCN3CCCC3)nn2)CCCCC1 ZINC000600977876 346724735 /nfs/dbraw/zinc/72/47/35/346724735.db2.gz MSZGQUOWENQSIJ-UHFFFAOYSA-N 0 3 287.411 2.390 20 30 CEEDHN COc1cccc(CNC[C@H](O)CC2(C#N)CC2)c1C ZINC000600747557 346683288 /nfs/dbraw/zinc/68/32/88/346683288.db2.gz YMEWZJFHBLAFDT-CQSZACIVSA-N 0 3 274.364 2.148 20 30 CEEDHN N#CCCCOc1cccc(CNCC[C@H](O)C(F)F)c1 ZINC000601147856 346769019 /nfs/dbraw/zinc/76/90/19/346769019.db2.gz YGMUBTDIVBKHJY-AWEZNQCLSA-N 0 3 298.333 2.475 20 30 CEEDHN CC(C)N1CCCN(C(=O)c2ccccc2CC#N)CC1 ZINC000601035460 346736652 /nfs/dbraw/zinc/73/66/52/346736652.db2.gz WASMTJDNUXMRBL-UHFFFAOYSA-N 0 3 285.391 2.309 20 30 CEEDHN CN(CCNc1ncc(C#N)c2ccsc21)C1CC1 ZINC000601108477 346754728 /nfs/dbraw/zinc/75/47/28/346754728.db2.gz LBWAUNSOYFAIHV-UHFFFAOYSA-N 0 3 272.377 2.096 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@](C)(O)C2)cc1 ZINC000129513493 365866031 /nfs/dbraw/zinc/86/60/31/365866031.db2.gz XRMNRNHNYIBJCT-INIZCTEOSA-N 0 3 259.349 2.045 20 30 CEEDHN C[C@H](CCC#N)CNCc1ncnn1-c1ccccc1 ZINC000602638074 347117283 /nfs/dbraw/zinc/11/72/83/347117283.db2.gz BZZPVASRCCARHE-CYBMUJFWSA-N 0 3 269.352 2.297 20 30 CEEDHN CC(C)CN1C[C@H]2CN(C[C@H](C)CCC#N)CCN2C1=O ZINC000602640197 347118036 /nfs/dbraw/zinc/11/80/36/347118036.db2.gz KRCCQRVLCRHVIG-HUUCEWRRSA-N 0 3 292.427 2.004 20 30 CEEDHN C[C@H](CCC#N)CN1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000602641881 347118821 /nfs/dbraw/zinc/11/88/21/347118821.db2.gz GCWLAMJALNZPSK-RBSFLKMASA-N 0 3 266.385 2.196 20 30 CEEDHN N#CC1CCC([NH2+]Cc2nnc(-c3ccccn3)[n-]2)CC1 ZINC000602680761 347141905 /nfs/dbraw/zinc/14/19/05/347141905.db2.gz GXSPEKIGQWLFOO-UHFFFAOYSA-N 0 3 282.351 2.039 20 30 CEEDHN N#CC[C@@H]1CCCN(Cc2c[nH]c3ncncc23)C1 ZINC000602706919 347161164 /nfs/dbraw/zinc/16/11/64/347161164.db2.gz NDVPKYCEFNBCPP-NSHDSACASA-N 0 3 255.325 2.035 20 30 CEEDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1cccc(C#N)n1 ZINC000602663231 347130567 /nfs/dbraw/zinc/13/05/67/347130567.db2.gz RDGDHOAHDOLSIP-CZUORRHYSA-N 0 3 273.380 2.469 20 30 CEEDHN CCC[C@H]1CN(CC2(CC#N)CC2)CCN1CCOC ZINC000602801936 347204931 /nfs/dbraw/zinc/20/49/31/347204931.db2.gz VVRHXWJHYWBJHG-HNNXBMFYSA-N 0 3 279.428 2.113 20 30 CEEDHN N#Cc1cccc(CN[C@H](C2CCC2)[C@@H]2CCCO2)n1 ZINC000602741263 347182003 /nfs/dbraw/zinc/18/20/03/347182003.db2.gz HDEUVEKBXZTKCD-JKSUJKDBSA-N 0 3 271.364 2.391 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@@H]1CCOC1 ZINC000128484545 187373755 /nfs/dbraw/zinc/37/37/55/187373755.db2.gz DRDOSUIRAJMFAC-WCQYABFASA-N 0 3 260.337 2.081 20 30 CEEDHN N#CCCOCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602906970 347243773 /nfs/dbraw/zinc/24/37/73/347243773.db2.gz JLBVYVKNZMIBRO-UHFFFAOYSA-N 0 3 284.363 2.063 20 30 CEEDHN N#Cc1ccc(Cn2cc(CCN3CCCCC3)nn2)cc1 ZINC000603161053 347300306 /nfs/dbraw/zinc/30/03/06/347300306.db2.gz KBRMUXPBLAXCIF-UHFFFAOYSA-N 0 3 295.390 2.226 20 30 CEEDHN CC#CC[C@@H](CO)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000603432677 347369126 /nfs/dbraw/zinc/36/91/26/347369126.db2.gz PLRJIXWBCRLPNZ-GLNPCMGASA-N 0 3 288.347 2.362 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H](C)c2ccco2)CC1 ZINC000607646110 347529076 /nfs/dbraw/zinc/52/90/76/347529076.db2.gz UUJGVBMBZZDMFU-GFCCVEGCSA-N 0 3 262.353 2.150 20 30 CEEDHN N#Cc1ccc(OCCN2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000609157503 347629297 /nfs/dbraw/zinc/62/92/97/347629297.db2.gz XKBQELFSUMVYCA-MRXNPFEDSA-N 0 3 296.374 2.471 20 30 CEEDHN CC(C)n1cc([C@@H](C)NC2CCN(CC#N)CC2)cn1 ZINC000610813419 347716583 /nfs/dbraw/zinc/71/65/83/347716583.db2.gz GLBYYZJTJBOKBT-CYBMUJFWSA-N 0 3 275.400 2.103 20 30 CEEDHN C[C@@]1(CCCO)CCCN1Cc1ccnc(C#N)c1 ZINC000611462747 347781267 /nfs/dbraw/zinc/78/12/67/347781267.db2.gz HPTFQDJUHMRUMK-HNNXBMFYSA-N 0 3 259.353 2.080 20 30 CEEDHN C[C@@H](NC(=O)NCC1=CCN(C)CC1)c1cccc(C#N)c1 ZINC000611435220 347779303 /nfs/dbraw/zinc/77/93/03/347779303.db2.gz WBOAKHFOJBMRFF-CYBMUJFWSA-N 0 3 298.390 2.180 20 30 CEEDHN C[C@H](NC(=O)NCC1=CCN(C)CC1)c1cccc(C#N)c1 ZINC000611435222 347779513 /nfs/dbraw/zinc/77/95/13/347779513.db2.gz WBOAKHFOJBMRFF-ZDUSSCGKSA-N 0 3 298.390 2.180 20 30 CEEDHN COc1cc(C#N)ccc1CN(CCO)CC(C)(C)C ZINC000611235671 347754703 /nfs/dbraw/zinc/75/47/03/347754703.db2.gz RKNOMCPXGMBASS-UHFFFAOYSA-N 0 3 276.380 2.407 20 30 CEEDHN CCN(Cc1cnc2ccc(C#N)cn12)C[C@@H]1CCOC1 ZINC000611256727 347759071 /nfs/dbraw/zinc/75/90/71/347759071.db2.gz TXTWVKVUTLGIGX-AWEZNQCLSA-N 0 3 284.363 2.064 20 30 CEEDHN CC(C#N)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000611261937 347759848 /nfs/dbraw/zinc/75/98/48/347759848.db2.gz XEYCDVQVQUAEPC-LBPRGKRZSA-N 0 3 290.338 2.493 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)N1CCC(C)(C#N)CC1 ZINC000611563336 347794765 /nfs/dbraw/zinc/79/47/65/347794765.db2.gz SXRQCMOQHZGMRO-CQSZACIVSA-N 0 3 292.427 2.196 20 30 CEEDHN COC[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)OC ZINC000611591509 347797854 /nfs/dbraw/zinc/79/78/54/347797854.db2.gz KKAANICCCUMJKP-ZBFHGGJFSA-N 0 3 274.364 2.187 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612124579 347847670 /nfs/dbraw/zinc/84/76/70/347847670.db2.gz BCLPQIZQFGBNNQ-GOEBONIOSA-N 0 3 292.427 2.196 20 30 CEEDHN C[C@H](NC1CCN(CC#N)CC1)c1ccc(Cl)cn1 ZINC000614137257 348148370 /nfs/dbraw/zinc/14/83/70/348148370.db2.gz IQOFBUPJFKAMDM-NSHDSACASA-N 0 3 278.787 2.374 20 30 CEEDHN N#Cc1cncnc1NCCN1CCC2(CCCCC2)CC1 ZINC000568625629 299150769 /nfs/dbraw/zinc/15/07/69/299150769.db2.gz SOFHYCHSHQKOJI-UHFFFAOYSA-N 0 3 299.422 2.228 20 30 CEEDHN CNC(=O)[C@@H](NCc1ccc(C(C)(C)C#N)cc1)C(C)C ZINC000614178715 348154969 /nfs/dbraw/zinc/15/49/69/348154969.db2.gz AZYNPTQOFMCHGQ-HNNXBMFYSA-N 0 3 287.407 2.348 20 30 CEEDHN CCC1(CO)CCN(CCOc2ccccc2C#N)CC1 ZINC000270919627 190869039 /nfs/dbraw/zinc/86/90/39/190869039.db2.gz ROFVUPDNJPWVSV-UHFFFAOYSA-N 0 3 288.391 2.422 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC(OCCCO)CC1 ZINC000614963109 348260129 /nfs/dbraw/zinc/26/01/29/348260129.db2.gz VJFRYVPKXFIJFF-CQSZACIVSA-N 0 3 288.391 2.483 20 30 CEEDHN C=C(C)[C@H](CC(=O)NC[C@@H]1CCN1C(C)(C)C)OCC ZINC000617011785 348611566 /nfs/dbraw/zinc/61/15/66/348611566.db2.gz MHBBMNVMGYCQLL-KBPBESRZSA-N 0 3 282.428 2.347 20 30 CEEDHN C[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)[C@H]1C ZINC000339563004 215244305 /nfs/dbraw/zinc/24/43/05/215244305.db2.gz QCJZZRZPOBUXIV-RYUDHWBXSA-N 0 3 257.337 2.227 20 30 CEEDHN CO[C@@H]1CC[C@@H]2OCCN(C[C@H](C)CCC#N)[C@@H]2C1 ZINC000618887797 349059711 /nfs/dbraw/zinc/05/97/11/349059711.db2.gz IKBKKMRKECUAGB-TUVASFSCSA-N 0 3 266.385 2.195 20 30 CEEDHN N#Cc1ccc(CNCCOCC(F)(F)F)cc1F ZINC000404093437 233192532 /nfs/dbraw/zinc/19/25/32/233192532.db2.gz BCFMNEGHVGSGRP-UHFFFAOYSA-N 0 3 276.233 2.366 20 30 CEEDHN CC(C)N1CCN(CCCN2CCC[C@@](C)(C#N)C2)CC1 ZINC000619720331 349229082 /nfs/dbraw/zinc/22/90/82/349229082.db2.gz CGHMAUOMSJEZEH-KRWDZBQOSA-N 0 3 292.471 2.028 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(Cl)c(OC)c1 ZINC000623491400 350033281 /nfs/dbraw/zinc/03/32/81/350033281.db2.gz RZYDCLKRYPBOAT-NSHDSACASA-N 0 3 255.745 2.375 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)NCCN(C)CCCC)C1 ZINC000623723519 350093445 /nfs/dbraw/zinc/09/34/45/350093445.db2.gz TUCZGZSYKAJZII-CQSZACIVSA-N 0 3 267.417 2.326 20 30 CEEDHN N#Cc1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)cc1Cl ZINC000091670581 180223832 /nfs/dbraw/zinc/22/38/32/180223832.db2.gz KQNHVUXMMVAJKH-KGLIPLIRSA-N 0 3 291.782 2.487 20 30 CEEDHN Cn1cnnc1C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000105796690 186071991 /nfs/dbraw/zinc/07/19/91/186071991.db2.gz JQZHZSIBPLBZNX-UHFFFAOYSA-N 0 3 281.363 2.066 20 30 CEEDHN C=CCN(CCc1cn(C)nn1)Cc1ccc(OC)cc1 ZINC000625105583 350406240 /nfs/dbraw/zinc/40/62/40/350406240.db2.gz GGJQGYZYCSVGQI-UHFFFAOYSA-N 0 3 286.379 2.054 20 30 CEEDHN CCN(CC#CCN1C(=O)c2ccccc2C1=O)CC1CC1 ZINC000625161777 350419034 /nfs/dbraw/zinc/41/90/34/350419034.db2.gz SCPYNNQTZIUQPT-UHFFFAOYSA-N 0 3 296.370 2.018 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2nccs2)CC1 ZINC000106252943 186105273 /nfs/dbraw/zinc/10/52/73/186105273.db2.gz ZJPWAHSREDRDLG-UHFFFAOYSA-N 0 3 280.397 2.305 20 30 CEEDHN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)N(C)Cc1ccccc1 ZINC000130583447 365971168 /nfs/dbraw/zinc/97/11/68/365971168.db2.gz PPXIQDYZIOJKKQ-ZDUSSCGKSA-N 0 3 296.374 2.137 20 30 CEEDHN C=CCNC(=O)CN(C)C[C@H](C)C1CCCCC1 ZINC000625986386 350620993 /nfs/dbraw/zinc/62/09/93/350620993.db2.gz HAUVBHIJPGQOOA-ZDUSSCGKSA-N 0 3 252.402 2.437 20 30 CEEDHN C=CCN1CC[C@H](N2CCC[C@H](C/C=C\C)C2)C1=O ZINC000626163343 350674284 /nfs/dbraw/zinc/67/42/84/350674284.db2.gz IUYOCOBKCOWDAJ-KJCWAXEUSA-N 0 3 262.397 2.452 20 30 CEEDHN C=CC1CCN(CC(=O)N2CCC[C@H](C)C2)CC1 ZINC000111260249 186381037 /nfs/dbraw/zinc/38/10/37/186381037.db2.gz NPBZUAPAQNRRJP-ZDUSSCGKSA-N 0 3 250.386 2.143 20 30 CEEDHN CCN(CC)C(=O)[C@@H]1CCCN1CCCCC#N ZINC000069608666 362984204 /nfs/dbraw/zinc/98/42/04/362984204.db2.gz UXUKQEHMMPUEDM-ZDUSSCGKSA-N 0 3 251.374 2.013 20 30 CEEDHN CCN(CC)C(=O)[C@H]1CCCN1CCCCC#N ZINC000069608667 362984486 /nfs/dbraw/zinc/98/44/86/362984486.db2.gz UXUKQEHMMPUEDM-CYBMUJFWSA-N 0 3 251.374 2.013 20 30 CEEDHN C=CCN1CCC(NCc2cnc3ccccc3n2)CC1 ZINC000628212137 351007310 /nfs/dbraw/zinc/00/73/10/351007310.db2.gz MQJHYGPYHOVOME-UHFFFAOYSA-N 0 3 282.391 2.370 20 30 CEEDHN CN1CCC2(CCCN2C(=O)c2cccc(C#N)c2)CC1 ZINC000334454231 282734832 /nfs/dbraw/zinc/73/48/32/282734832.db2.gz FBESOSRLEKBPOF-UHFFFAOYSA-N 0 3 283.375 2.259 20 30 CEEDHN CCOC[C@H](O)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000113501254 186580929 /nfs/dbraw/zinc/58/09/29/186580929.db2.gz PDCYCMXYEWMHJL-MRXNPFEDSA-N 0 3 276.380 2.166 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000119416364 186826989 /nfs/dbraw/zinc/82/69/89/186826989.db2.gz NSFUIKSEZILHLA-MRXNPFEDSA-N 0 3 281.363 2.062 20 30 CEEDHN C=CCN1CC[C@H](N2CC[C@H](C)C3(CCC3)C2)C1=O ZINC000337170778 366048623 /nfs/dbraw/zinc/04/86/23/366048623.db2.gz DERSPFKTVRJZNO-KBPBESRZSA-N 0 3 262.397 2.285 20 30 CEEDHN C[C@@H](C(=O)NCc1ccc(C#N)cc1)N1[C@H](C)CC[C@@H]1C ZINC000122153188 187018063 /nfs/dbraw/zinc/01/80/63/187018063.db2.gz SWDHWJSXCVRGTP-MJBXVCDLSA-N 0 3 285.391 2.436 20 30 CEEDHN CO[C@@]1(CN[C@@H](C)c2cccc(C#N)c2)CCOC1 ZINC000123140089 187073320 /nfs/dbraw/zinc/07/33/20/187073320.db2.gz IHKCAQBJDNQWKA-SWLSCSKDSA-N 0 3 260.337 2.014 20 30 CEEDHN CCc1nnc(N[C@@H]2CCN(C)[C@H](C)C2)c(C#N)c1CC ZINC000122382973 187029869 /nfs/dbraw/zinc/02/98/69/187029869.db2.gz QJBVPSQMFPPHKW-VXGBXAGGSA-N 0 3 287.411 2.368 20 30 CEEDHN CCN(CC)[C@H](CNc1cnc(C#N)cn1)c1ccco1 ZINC000122631683 187042612 /nfs/dbraw/zinc/04/26/12/187042612.db2.gz SOFQBCICDXXMTD-CYBMUJFWSA-N 0 3 285.351 2.436 20 30 CEEDHN C=C[C@@H](C)NCc1ccc(OCCN2CCOCC2)cc1 ZINC000631088617 351957650 /nfs/dbraw/zinc/95/76/50/351957650.db2.gz OZEXKZYUTWBABI-OAHLLOKOSA-N 0 3 290.407 2.062 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(F)F)nc1 ZINC000631151421 351988782 /nfs/dbraw/zinc/98/87/82/351988782.db2.gz MUUMEEPJCSXRQX-PWSUYJOCSA-N 0 3 254.280 2.452 20 30 CEEDHN CCN(CC)[C@H](CNc1ccc(C#N)c(N)n1)c1ccco1 ZINC000569137724 299184564 /nfs/dbraw/zinc/18/45/64/299184564.db2.gz GOIKTDCMNUSEGV-CYBMUJFWSA-N 0 3 299.378 2.045 20 30 CEEDHN N#CCCCCN1CCN(c2ccc(O)cc2)CC1 ZINC000070925212 363102816 /nfs/dbraw/zinc/10/28/16/363102816.db2.gz VSZOLJGCJONMAQ-UHFFFAOYSA-N 0 3 259.353 2.208 20 30 CEEDHN C#CC[C@H](N[C@@H](C)CC(=O)N(C)C)c1ccccc1 ZINC000271535535 191197546 /nfs/dbraw/zinc/19/75/46/191197546.db2.gz QCQSDWYPMWWNCR-ZFWWWQNUSA-N 0 3 258.365 2.207 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H](CC)CSC ZINC000271528298 191194235 /nfs/dbraw/zinc/19/42/35/191194235.db2.gz ICGRTSMYXZBICW-ZDUSSCGKSA-N 0 3 270.442 2.260 20 30 CEEDHN Cc1nc(N[C@@H]2CN(C3CC3)C[C@H]2C)ccc1C#N ZINC000292100592 198163664 /nfs/dbraw/zinc/16/36/64/198163664.db2.gz ZHILMXPZYAKTNF-QMTHXVAHSA-N 0 3 256.353 2.156 20 30 CEEDHN COCCCCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292292567 198233552 /nfs/dbraw/zinc/23/35/52/198233552.db2.gz UIJYGTBDWHZOHE-HNNXBMFYSA-N 0 3 289.379 2.223 20 30 CEEDHN CCCCCN(CCO)C[C@H](O)c1ccc(C#N)cc1 ZINC000156367750 188258439 /nfs/dbraw/zinc/25/84/39/188258439.db2.gz FOYWUFJFLHICEF-INIZCTEOSA-N 0 3 276.380 2.076 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292494377 198309181 /nfs/dbraw/zinc/30/91/81/198309181.db2.gz BQOIFPZELSAWHZ-QGZVFWFLSA-N 0 3 298.390 2.426 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H]([C@@H]3CCOC3)C2)s1 ZINC000336440883 213304569 /nfs/dbraw/zinc/30/45/69/213304569.db2.gz UVWQAPZTJADBPG-NWDGAFQWSA-N 0 3 262.378 2.478 20 30 CEEDHN CC[C@H](O)[C@H]1CCCCN1Cc1ccc(C#N)cn1 ZINC000571294946 314083505 /nfs/dbraw/zinc/08/35/05/314083505.db2.gz KKANWHJQHHOPTC-CABCVRRESA-N 0 3 259.353 2.079 20 30 CEEDHN Cc1csc(NC(=O)NC[C@@H]2CCCN2C)c1C#N ZINC000571295051 314083591 /nfs/dbraw/zinc/08/35/91/314083591.db2.gz NHUWYGCHWMGQTP-JTQLQIEISA-N 0 3 278.381 2.144 20 30 CEEDHN CCOC(=O)CCCNC1(c2cccc(C#N)c2)CC1 ZINC000271789417 191328334 /nfs/dbraw/zinc/32/83/34/191328334.db2.gz NEBKEWQQHHJTBJ-UHFFFAOYSA-N 0 3 272.348 2.480 20 30 CEEDHN C[C@H]1C[C@H](Nc2ncc3c(c2C#N)CCC3)CCN1C ZINC000570083851 299237043 /nfs/dbraw/zinc/23/70/43/299237043.db2.gz NOQZBJKKAPHQOP-WCQYABFASA-N 0 3 270.380 2.337 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](N3CCCC3)C2)s1 ZINC000127061047 283142530 /nfs/dbraw/zinc/14/25/30/283142530.db2.gz SISBQPXYEHHWQC-LBPRGKRZSA-N 0 3 261.394 2.290 20 30 CEEDHN N#Cc1ccc(CN2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cc1 ZINC000377167889 283144147 /nfs/dbraw/zinc/14/41/47/283144147.db2.gz GNPMGYIVGJTKTG-JYJNAYRXSA-N 0 3 283.375 2.177 20 30 CEEDHN CC(C)N1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000075635370 363479370 /nfs/dbraw/zinc/47/93/70/363479370.db2.gz RGFLSJJLQNJEIS-UHFFFAOYSA-N 0 3 282.391 2.337 20 30 CEEDHN N#Cc1ccc([C@H](NC[C@@H]2CC=CCC2)C(N)=O)cc1 ZINC000115598464 283188020 /nfs/dbraw/zinc/18/80/20/283188020.db2.gz DWAAIDDFDOQERC-HIFRSBDPSA-N 0 3 269.348 2.031 20 30 CEEDHN C=CCCCN(C)CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000076736792 363544635 /nfs/dbraw/zinc/54/46/35/363544635.db2.gz ZYFRVSVKNQVFCV-KBPBESRZSA-N 0 3 295.427 2.289 20 30 CEEDHN C[C@@H]1CCCN(Cc2ccc(C#N)s2)[C@H]1CO ZINC000575812083 366363043 /nfs/dbraw/zinc/36/30/43/366363043.db2.gz HZNCMZUEMHUGNI-MFKMUULPSA-N 0 3 250.367 2.213 20 30 CEEDHN C=CC[C@@H](CO)NCc1c[nH]nc1-c1ccc(C)o1 ZINC000320340330 538774224 /nfs/dbraw/zinc/77/42/24/538774224.db2.gz AVISZJOQSZXMME-LBPRGKRZSA-N 0 3 261.325 2.005 20 30 CEEDHN C=CCOCCCC(=O)NCC(C)(C)N1CCCCC1 ZINC000079294997 363588462 /nfs/dbraw/zinc/58/84/62/363588462.db2.gz KQWMJWLNXWQVDK-UHFFFAOYSA-N 0 3 282.428 2.350 20 30 CEEDHN CS[C@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000294434553 199038434 /nfs/dbraw/zinc/03/84/34/199038434.db2.gz QAQYCCBEVZCENP-AWEZNQCLSA-N 0 3 262.378 2.374 20 30 CEEDHN CS[C@@H]1CCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000294475524 199054392 /nfs/dbraw/zinc/05/43/92/199054392.db2.gz WJSNTCLCQVLTPG-ZIAGYGMSSA-N 0 3 262.378 2.029 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000135106536 366395231 /nfs/dbraw/zinc/39/52/31/366395231.db2.gz JTOUSCVGAUAJAE-YWPYICTPSA-N 0 3 250.386 2.330 20 30 CEEDHN N#Cc1ccc(CNCCc2ccc3c(c2)OCCO3)o1 ZINC000135127683 366399403 /nfs/dbraw/zinc/39/94/03/366399403.db2.gz AVMIYEXXAZBHQF-UHFFFAOYSA-N 0 3 284.315 2.255 20 30 CEEDHN N#Cc1ccc(CNC[C@@H]2Cc3ccccc3O2)o1 ZINC000135140082 366400713 /nfs/dbraw/zinc/40/07/13/366400713.db2.gz CUXHYKWKHMQEHP-AWEZNQCLSA-N 0 3 254.289 2.245 20 30 CEEDHN CCN1CCC[C@H](NC(=O)N2CCC(CCC#N)CC2)C1 ZINC000577949266 366419511 /nfs/dbraw/zinc/41/95/11/366419511.db2.gz DDZSKVIOXWZWNF-HNNXBMFYSA-N 0 3 292.427 2.196 20 30 CEEDHN C=CCN1C[C@H](C(=O)OC)C[C@H](c2ccccc2)C1 ZINC000135449915 366440142 /nfs/dbraw/zinc/44/01/42/366440142.db2.gz OKBLKCLTZCSWEF-LSDHHAIUSA-N 0 3 259.349 2.451 20 30 CEEDHN C[C@H](CNc1nccnc1C#N)N1CCCC[C@@H]1C ZINC000338722669 366490034 /nfs/dbraw/zinc/49/00/34/366490034.db2.gz WCXUSYQHXOPLAN-NWDGAFQWSA-N 0 3 259.357 2.023 20 30 CEEDHN N#CCC1(CNC[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000578523112 366508121 /nfs/dbraw/zinc/50/81/21/366508121.db2.gz LVOAFELOPUQCNN-ZDUSSCGKSA-N 0 3 299.374 2.191 20 30 CEEDHN C[C@H](NC(=O)N1CCN[C@@H](C)[C@H]1C)c1ccc(C#N)cc1 ZINC000417115054 237012530 /nfs/dbraw/zinc/01/25/30/237012530.db2.gz OXNNLGOJPLMNQW-RWMBFGLXSA-N 0 3 286.379 2.011 20 30 CEEDHN C=C(C)[C@H](CO)N1CCCN(c2ccccc2F)CC1 ZINC000671733075 540495077 /nfs/dbraw/zinc/49/50/77/540495077.db2.gz RHTDOHIXBFHFRV-INIZCTEOSA-N 0 3 278.371 2.275 20 30 CEEDHN COCC#CCN(C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000672573923 540627893 /nfs/dbraw/zinc/62/78/93/540627893.db2.gz LXCDTLGIPXJBKE-HOTGVXAUSA-N 0 3 275.392 2.123 20 30 CEEDHN CCC[C@@H](C)[C@@H](CO)NCc1ccc(C#N)c(OC)c1 ZINC000571216775 299299223 /nfs/dbraw/zinc/29/92/23/299299223.db2.gz YSSLORQIVGFUIE-IUODEOHRSA-N 0 3 276.380 2.454 20 30 CEEDHN COCCO[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000338957397 366589497 /nfs/dbraw/zinc/58/94/97/366589497.db2.gz NZWVLQYQUBRDDG-KRWDZBQOSA-N 0 3 288.391 2.494 20 30 CEEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000150902349 366604776 /nfs/dbraw/zinc/60/47/76/366604776.db2.gz RSGCQCGZBQCECO-ZDUSSCGKSA-N 0 3 283.416 2.287 20 30 CEEDHN C=CCn1nnnc1SC[C@@H]1CCCCN1C(C)C ZINC000339116104 366659671 /nfs/dbraw/zinc/65/96/71/366659671.db2.gz MANLGEYBEVOCEQ-LBPRGKRZSA-N 0 3 281.429 2.214 20 30 CEEDHN CN(C)C(=O)C1(CNCc2ccc(C#N)s2)CCCC1 ZINC000176969138 189017504 /nfs/dbraw/zinc/01/75/04/189017504.db2.gz GQHYACJWNFTQHG-UHFFFAOYSA-N 0 3 291.420 2.358 20 30 CEEDHN CC[C@H](C(=O)NCCc1cccc(C#N)c1)N(CC)CC ZINC000341946797 216163074 /nfs/dbraw/zinc/16/30/74/216163074.db2.gz JIEOTDRLLZGYTN-MRXNPFEDSA-N 0 3 287.407 2.337 20 30 CEEDHN C=CC1CCN(C(=O)N[C@@H](CC)CN2CCCC2)CC1 ZINC000675198766 540815974 /nfs/dbraw/zinc/81/59/74/540815974.db2.gz YHCQZZZPLNRDAN-HNNXBMFYSA-N 0 3 279.428 2.468 20 30 CEEDHN C#CCOc1ccccc1CN1CCCO[C@@H](C)C1 ZINC000179399315 189190807 /nfs/dbraw/zinc/19/08/07/189190807.db2.gz QEELDKJZFUSVOD-AWEZNQCLSA-N 0 3 259.349 2.309 20 30 CEEDHN C=CCC[C@H](O)CNC(C)(C)C(=O)Nc1ccccc1 ZINC000675972234 540886330 /nfs/dbraw/zinc/88/63/30/540886330.db2.gz SIYSETDTBCHBJB-AWEZNQCLSA-N 0 3 276.380 2.320 20 30 CEEDHN COC[C@H](C)N(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179946286 189229073 /nfs/dbraw/zinc/22/90/73/189229073.db2.gz LKGCSZWEFVETND-ZDUSSCGKSA-N 0 3 298.390 2.425 20 30 CEEDHN C=CCC[C@@H](NCC(=O)N1CCOCC1)c1ccccc1 ZINC000180047405 189234679 /nfs/dbraw/zinc/23/46/79/189234679.db2.gz BMRHBLFXAYBAPT-MRXNPFEDSA-N 0 3 288.391 2.142 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000677047897 540975791 /nfs/dbraw/zinc/97/57/91/540975791.db2.gz JOJHWUHVVCDPGW-INIZCTEOSA-N 0 3 294.439 2.084 20 30 CEEDHN CCC#C[C@@H](C)N(C)C[C@@H](O)COCc1ccccc1 ZINC000677048259 540975949 /nfs/dbraw/zinc/97/59/49/540975949.db2.gz SQUAOIZABVXCDY-NVXWUHKLSA-N 0 3 275.392 2.298 20 30 CEEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1c[nH]c(C#N)c1 ZINC000181383942 189295373 /nfs/dbraw/zinc/29/53/73/189295373.db2.gz PSTPAYPZNLSVCE-ZDUSSCGKSA-N 0 3 296.374 2.137 20 30 CEEDHN N#CCC[C@H](C#N)CNCCCN1CCc2ccccc21 ZINC000579748000 366698293 /nfs/dbraw/zinc/69/82/93/366698293.db2.gz YRLXQGIBESFYGW-OAHLLOKOSA-N 0 3 282.391 2.472 20 30 CEEDHN N#CCC[C@H](C#N)CNC[C@@H]1CCOC2(CCC2)C1 ZINC000579947968 366726833 /nfs/dbraw/zinc/72/68/33/366726833.db2.gz LTPTWOATCSCDKX-ZIAGYGMSSA-N 0 3 261.369 2.369 20 30 CEEDHN N#CCC[C@@H](C#N)CNC[C@@H]1CCCCN1C1CC1 ZINC000579948248 366727837 /nfs/dbraw/zinc/72/78/37/366727837.db2.gz WIMZQKSLSZQUPG-ZFWWWQNUSA-N 0 3 260.385 2.036 20 30 CEEDHN CN(C)CCN(c1ncccc1C#N)C1CCCC1 ZINC000339968775 366732127 /nfs/dbraw/zinc/73/21/27/366732127.db2.gz GUXTZPUAFAZSBP-UHFFFAOYSA-N 0 3 258.369 2.264 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(C#N)o1 ZINC000340043777 366752555 /nfs/dbraw/zinc/75/25/55/366752555.db2.gz ACKWYWDFIRYNLA-RYUDHWBXSA-N 0 3 275.352 2.144 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC1CCOCC1 ZINC000155804890 366822374 /nfs/dbraw/zinc/82/23/74/366822374.db2.gz HPQBAQVGNPAGTB-AWEZNQCLSA-N 0 3 282.428 2.158 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2(CCOC)CCC2)CC1 ZINC000155967203 366825897 /nfs/dbraw/zinc/82/58/97/366825897.db2.gz ZJOHHXFALZEQDH-UHFFFAOYSA-N 0 3 294.439 2.350 20 30 CEEDHN C=C(CC)CN1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000678624919 541160739 /nfs/dbraw/zinc/16/07/39/541160739.db2.gz TUUUHAMFBNFPIX-UHFFFAOYSA-N 0 3 272.392 2.472 20 30 CEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C1(N)CC1 ZINC000088130336 363878621 /nfs/dbraw/zinc/87/86/21/363878621.db2.gz HBYRWUSADKDFOI-UHFFFAOYSA-N 0 3 270.785 2.407 20 30 CEEDHN COc1ccc(CN2CCN(C(C)C)CC2)cc1C#N ZINC000087833179 363872512 /nfs/dbraw/zinc/87/25/12/363872512.db2.gz RTNPPBXCBCCXSI-UHFFFAOYSA-N 0 3 273.380 2.093 20 30 CEEDHN Cc1nsc(N[C@H]2CCN3CCCC[C@H]23)c1C#N ZINC000092912542 364114762 /nfs/dbraw/zinc/11/47/62/364114762.db2.gz NTFFTTBEEQVDPE-NWDGAFQWSA-N 0 3 262.382 2.362 20 30 CEEDHN Cc1nsc(NC[C@@H]2CCCN(C)C2)c1C#N ZINC000092912464 364115005 /nfs/dbraw/zinc/11/50/05/364115005.db2.gz RHAPFQDVJJVFPN-JTQLQIEISA-N 0 3 250.371 2.077 20 30 CEEDHN N#Cc1csc(CNCCOCC(F)(F)F)c1 ZINC000093492232 364192136 /nfs/dbraw/zinc/19/21/36/364192136.db2.gz OQIDJZUKMZCIRD-UHFFFAOYSA-N 0 3 264.272 2.288 20 30 CEEDHN CC1(C)CCN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000094802909 364296981 /nfs/dbraw/zinc/29/69/81/364296981.db2.gz FIPKAXUGUXPVQY-AWEZNQCLSA-N 0 3 274.364 2.030 20 30 CEEDHN CC(C)(C#N)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000335093924 364467825 /nfs/dbraw/zinc/46/78/25/364467825.db2.gz DOUZGMLQURTRDM-JKSUJKDBSA-N 0 3 297.402 2.269 20 30 CEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1sccc1C#N ZINC000335103121 364480191 /nfs/dbraw/zinc/48/01/91/364480191.db2.gz GEJWCXNJMLUHGW-AAEUAGOBSA-N 0 3 289.404 2.319 20 30 CEEDHN C[C@@H]1CCC[C@@H](N(C)CC(=O)N(CCC#N)CCC#N)C1 ZINC000097259073 364487328 /nfs/dbraw/zinc/48/73/28/364487328.db2.gz QJDCCUAUUKXZSA-HUUCEWRRSA-N 0 3 290.411 2.153 20 30 CEEDHN C[C@H]1CCC[C@H](N(C)CC(=O)N(CCC#N)CCC#N)C1 ZINC000097259072 364488309 /nfs/dbraw/zinc/48/83/09/364488309.db2.gz QJDCCUAUUKXZSA-GJZGRUSLSA-N 0 3 290.411 2.153 20 30 CEEDHN C=CCCC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000102336164 364590988 /nfs/dbraw/zinc/59/09/88/364590988.db2.gz MXWARBPFJIJNNG-HNNXBMFYSA-N 0 3 260.381 2.242 20 30 CEEDHN CC(C#N)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000335351077 364689958 /nfs/dbraw/zinc/68/99/58/364689958.db2.gz XTCBTQMMKZRKKN-GFCCVEGCSA-N 0 3 291.782 2.144 20 30 CEEDHN C=CC1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000335393133 364698259 /nfs/dbraw/zinc/69/82/59/364698259.db2.gz BUCQPLDKOXIBNU-MRXNPFEDSA-N 0 3 270.376 2.298 20 30 CEEDHN C=C(C)CN1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000112701226 364830487 /nfs/dbraw/zinc/83/04/87/364830487.db2.gz UDIVEBFHTOBNLE-CYBMUJFWSA-N 0 3 252.402 2.437 20 30 CEEDHN C[C@@H]1C[C@H](CO)CN(Cc2cc(C#N)cs2)C1 ZINC000335613952 212325593 /nfs/dbraw/zinc/32/55/93/212325593.db2.gz MZAOHJVJDTXPNK-PWSUYJOCSA-N 0 3 250.367 2.070 20 30 CEEDHN C=CC[C@H](CO)NCc1cnc2ccc(Cl)cn12 ZINC000680485227 541418855 /nfs/dbraw/zinc/41/88/55/541418855.db2.gz VXBAEXDBEHQCIW-LLVKDONJSA-N 0 3 265.744 2.014 20 30 CEEDHN CN1CCC[C@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000115516252 365011262 /nfs/dbraw/zinc/01/12/62/365011262.db2.gz ROTUSHHLPVSRCA-JTQLQIEISA-N 0 3 284.285 2.478 20 30 CEEDHN CC[C@H]1CCCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000117345470 365104675 /nfs/dbraw/zinc/10/46/75/365104675.db2.gz ZMAFNLYAHUTWFU-HNNXBMFYSA-N 0 3 290.411 2.154 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CC(=O)N(c3ccccc3F)C2)C1 ZINC000582275206 366887870 /nfs/dbraw/zinc/88/78/70/366887870.db2.gz FBMNIQICZFGUMM-UPJWGTAASA-N 0 3 287.338 2.213 20 30 CEEDHN C[C@H]1[C@H](C)N(Cc2ccc(F)c(C#N)c2)CCN1C ZINC000336126063 365445809 /nfs/dbraw/zinc/44/58/09/365445809.db2.gz SFEJOEPQIHUDKU-RYUDHWBXSA-N 0 3 261.344 2.222 20 30 CEEDHN CC[C@@H]1CN(C)CCN1Cc1ccc(C#N)cc1OC ZINC000583360170 367036935 /nfs/dbraw/zinc/03/69/35/367036935.db2.gz QPSWLSOJLUBOAC-OAHLLOKOSA-N 0 3 273.380 2.093 20 30 CEEDHN CC(C)OC[C@H](O)CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000583495195 367057551 /nfs/dbraw/zinc/05/75/51/367057551.db2.gz ULEXDBFTFRNZII-WBVHZDCISA-N 0 3 288.391 2.311 20 30 CEEDHN C=CCN(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000161138414 367060957 /nfs/dbraw/zinc/06/09/57/367060957.db2.gz BDFZCFJNFHKMJJ-AWEZNQCLSA-N 0 3 261.369 2.117 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)CCCCCC#N)CCN1C ZINC000588382449 367193445 /nfs/dbraw/zinc/19/34/45/367193445.db2.gz SWTBBFAACGFBNX-ZIAGYGMSSA-N 0 3 265.401 2.402 20 30 CEEDHN C[C@H](CO)[C@H](C)NCc1ccc(C#N)cc1Cl ZINC000162822240 367194226 /nfs/dbraw/zinc/19/42/26/367194226.db2.gz BWOGLTDRMSORLM-ZJUUUORDSA-N 0 3 252.745 2.318 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)CCCCCC#N)CCN1C ZINC000588544246 367194694 /nfs/dbraw/zinc/19/46/94/367194694.db2.gz IWQWTUZKAIKJTB-STQMWFEESA-N 0 3 251.374 2.059 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000590931312 367199739 /nfs/dbraw/zinc/19/97/39/367199739.db2.gz FVTWPYHBSDKJLO-ZNMIVQPWSA-N 0 3 292.427 2.242 20 30 CEEDHN C[C@@H](NCCCC#N)c1ccc(-n2cncn2)cc1 ZINC000163079249 367216896 /nfs/dbraw/zinc/21/68/96/367216896.db2.gz HPXQAWPAXPBOBX-GFCCVEGCSA-N 0 3 255.325 2.222 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000342395802 367405515 /nfs/dbraw/zinc/40/55/15/367405515.db2.gz ZKVRPIFXVBLBGN-UONOGXRCSA-N 0 3 267.417 2.467 20 30 CEEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)CN(C)C(C)C ZINC000342404311 367407319 /nfs/dbraw/zinc/40/73/19/367407319.db2.gz RCRDGXDVKVPRDS-UHFFFAOYSA-N 0 3 294.395 2.017 20 30 CEEDHN C=CCOc1ccccc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000170802753 367419190 /nfs/dbraw/zinc/41/91/90/367419190.db2.gz SNOLILZTCBPKRI-CQSZACIVSA-N 0 3 288.391 2.418 20 30 CEEDHN CC[C@@H](NCc1cnc2ccc(C#N)cn12)[C@H]1CCCO1 ZINC000342784737 367534740 /nfs/dbraw/zinc/53/47/40/367534740.db2.gz WERFIAYZLXFVGB-HUUCEWRRSA-N 0 3 284.363 2.253 20 30 CEEDHN C=C[C@](C)(O)CC(=O)N(CCC)CCN1CCCCC1 ZINC000342790631 367538152 /nfs/dbraw/zinc/53/81/52/367538152.db2.gz RWPXMANIEIRZBF-INIZCTEOSA-N 0 3 282.428 2.038 20 30 CEEDHN CO[C@H]1CCCC[C@@H]1NCc1cnc2ccc(C#N)cn12 ZINC000342736524 367507500 /nfs/dbraw/zinc/50/75/00/367507500.db2.gz XZXLFLCFXZDSSN-GJZGRUSLSA-N 0 3 284.363 2.253 20 30 CEEDHN C=CCN1CCC(NC(=O)NCc2ccccc2C)CC1 ZINC000171700616 367598535 /nfs/dbraw/zinc/59/85/35/367598535.db2.gz LEGHJZNCXSYTHF-UHFFFAOYSA-N 0 3 287.407 2.445 20 30 CEEDHN C=CCN1CCC(NC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000171710317 367600326 /nfs/dbraw/zinc/60/03/26/367600326.db2.gz VGBNOBVEPQRKFV-UHFFFAOYSA-N 0 3 298.390 2.008 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(COC)cc2)CC1 ZINC000171726296 367603808 /nfs/dbraw/zinc/60/38/08/367603808.db2.gz XOLOMGKNYIVNDE-UHFFFAOYSA-N 0 3 288.391 2.213 20 30 CEEDHN C[C@H](CO[C@@H]1CCOC1)N[C@H](C)c1cccc(C#N)c1 ZINC000245874787 370881846 /nfs/dbraw/zinc/88/18/46/370881846.db2.gz JZKFIUQTOCJRCE-XJKCOSOUSA-N 0 3 274.364 2.403 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCC1(O)CCCC1 ZINC000343399930 367793245 /nfs/dbraw/zinc/79/32/45/367793245.db2.gz AZFZTBHUCOPJEK-OAHLLOKOSA-N 0 3 286.375 2.180 20 30 CEEDHN CCOc1cccc([C@@H]2C[C@H]2NC(=O)C(C)C#N)c1 ZINC000343517840 367857771 /nfs/dbraw/zinc/85/77/71/367857771.db2.gz DZECZIOBMKKVFO-LEWSCRJBSA-N 0 3 258.321 2.217 20 30 CEEDHN COCC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000343518360 367859506 /nfs/dbraw/zinc/85/95/06/367859506.db2.gz MAJGZCJLSXBNNV-OAHLLOKOSA-N 0 3 299.374 2.029 20 30 CEEDHN Cc1cc(C)c(C#N)c(N[C@H]2CCCN(C)[C@@H]2C)n1 ZINC000343493177 367845342 /nfs/dbraw/zinc/84/53/42/367845342.db2.gz BJGBSFIYOQTNTE-OCCSQVGLSA-N 0 3 258.369 2.465 20 30 CEEDHN C=CCC[C@@H](NC[C@](C)(O)C(=O)OC)c1ccccc1 ZINC000343744991 367982762 /nfs/dbraw/zinc/98/27/62/367982762.db2.gz VXUOIELPQRRWHR-ZBFHGGJFSA-N 0 3 277.364 2.208 20 30 CEEDHN C=CCC[C@@H](NC[C@@](C)(O)C(=O)OC)c1ccccc1 ZINC000343744987 367983086 /nfs/dbraw/zinc/98/30/86/367983086.db2.gz VXUOIELPQRRWHR-GDBMZVCRSA-N 0 3 277.364 2.208 20 30 CEEDHN N#Cc1ccccc1N1CCN(CCCCCCO)CC1 ZINC000175756879 368173375 /nfs/dbraw/zinc/17/33/75/368173375.db2.gz XTQIWANLYTYFGB-UHFFFAOYSA-N 0 3 287.407 2.233 20 30 CEEDHN C/C=C(\C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000175895995 368188818 /nfs/dbraw/zinc/18/88/18/368188818.db2.gz LWOIJMPSLIDNJF-LHHJGKSTSA-N 0 3 285.391 2.415 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344733915 368134911 /nfs/dbraw/zinc/13/49/11/368134911.db2.gz WHIUEBOGLBTIDF-LSDHHAIUSA-N 0 3 294.439 2.300 20 30 CEEDHN COCOc1ccc(OC)cc1CNCCCCC#N ZINC000179877757 368354997 /nfs/dbraw/zinc/35/49/97/368354997.db2.gz NYANHHQEPWIHSG-UHFFFAOYSA-N 0 3 278.352 2.461 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)NC1CCN(C)CC1 ZINC000180889579 368401785 /nfs/dbraw/zinc/40/17/85/368401785.db2.gz LUUGQYSQIAHOGN-GFCCVEGCSA-N 0 3 253.390 2.125 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc[nH]1 ZINC000345855571 368455984 /nfs/dbraw/zinc/45/59/84/368455984.db2.gz OIECVECDCLFMLU-UHFFFAOYSA-N 0 3 296.374 2.090 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000181777273 368494425 /nfs/dbraw/zinc/49/44/25/368494425.db2.gz MQHIGXNFBMABCX-KBPBESRZSA-N 0 3 272.392 2.080 20 30 CEEDHN CC[C@H](NCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCO1 ZINC000182350894 368556469 /nfs/dbraw/zinc/55/64/69/368556469.db2.gz MNFDLQSENMBGED-GJZGRUSLSA-N 0 3 287.363 2.044 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2ccc(OC)c(C#N)c2)C[C@@H]1C ZINC000346154212 368565120 /nfs/dbraw/zinc/56/51/20/368565120.db2.gz DCYYKRPYOUHMJB-UONOGXRCSA-N 0 3 287.407 2.481 20 30 CEEDHN COC(=O)[C@@H](C)CN(Cc1cc(C#N)cs1)C1CC1 ZINC000184719431 368714090 /nfs/dbraw/zinc/71/40/90/368714090.db2.gz KDXKQXSJYRCSJZ-JTQLQIEISA-N 0 3 278.377 2.393 20 30 CEEDHN Cc1cccc2c(CCNC(=O)C(C)C#N)c[nH]c21 ZINC000346446759 368678577 /nfs/dbraw/zinc/67/85/77/368678577.db2.gz QGSWTLTXIMWSGU-NSHDSACASA-N 0 3 255.321 2.295 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)cn2)CC1 ZINC000184315306 368686573 /nfs/dbraw/zinc/68/65/73/368686573.db2.gz RHMYSOPTRHNELB-UHFFFAOYSA-N 0 3 274.368 2.162 20 30 CEEDHN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)C(C)C#N)cc1 ZINC000347434633 368809540 /nfs/dbraw/zinc/80/95/40/368809540.db2.gz UBEJBAYDDMTLCN-CFVMTHIKSA-N 0 3 272.348 2.491 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000347723063 368816969 /nfs/dbraw/zinc/81/69/69/368816969.db2.gz LKCSPVNPGHUFAW-VHSXEESVSA-N 0 3 266.728 2.383 20 30 CEEDHN C=CCOCCCN[C@@H](C[S@](C)=O)c1ccccc1 ZINC000348049706 368875071 /nfs/dbraw/zinc/87/50/71/368875071.db2.gz JDCRHGPVGUAHSW-KXBFYZLASA-N 0 3 281.421 2.289 20 30 CEEDHN C=CCN(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000348112491 368903575 /nfs/dbraw/zinc/90/35/75/368903575.db2.gz WCZGPBXJOZPHAH-RYUDHWBXSA-N 0 3 269.389 2.173 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H](C)[C@@H](C)C(=O)OCC ZINC000186410261 368971189 /nfs/dbraw/zinc/97/11/89/368971189.db2.gz LBYCZHKNLHLUFN-KGLIPLIRSA-N 0 3 289.375 2.376 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000186122804 368922734 /nfs/dbraw/zinc/92/27/34/368922734.db2.gz UYQBUSMVXHIHGA-GDBMZVCRSA-N 0 3 285.391 2.144 20 30 CEEDHN N#CC1CCN(CCC(=O)N2CCOc3ccccc32)CC1 ZINC000348276423 368981861 /nfs/dbraw/zinc/98/18/61/368981861.db2.gz OJBRZFTXQSLOTQ-UHFFFAOYSA-N 0 3 299.374 2.038 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1cc(OC)ccc1OC ZINC000186695380 369021909 /nfs/dbraw/zinc/02/19/09/369021909.db2.gz UIARLWSLHPFCGB-VXGBXAGGSA-N 0 3 265.353 2.291 20 30 CEEDHN CN1CCC[C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000186771568 369038537 /nfs/dbraw/zinc/03/85/37/369038537.db2.gz YBRKREWSSBPSLZ-HNNXBMFYSA-N 0 3 297.402 2.048 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](COCC)C(C)C ZINC000348438886 369046205 /nfs/dbraw/zinc/04/62/05/369046205.db2.gz GXVAHNGOCHPEEQ-CABCVRRESA-N 0 3 284.444 2.450 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NCC(C)(C)N1CCCCC1 ZINC000348535182 369075915 /nfs/dbraw/zinc/07/59/15/369075915.db2.gz QESGKYQOBYSJPT-HNNXBMFYSA-N 0 3 265.401 2.307 20 30 CEEDHN C=C(C)[C@H](NC[C@@H](O)COC)c1ccc(F)c(F)c1 ZINC000187766123 369219220 /nfs/dbraw/zinc/21/92/20/369219220.db2.gz AZEYLCQPSLKKJO-RISCZKNCSA-N 0 3 271.307 2.179 20 30 CEEDHN C=CCCCCNC(=O)[C@H]1CCN1C1CCCC1 ZINC000635810647 369356538 /nfs/dbraw/zinc/35/65/38/369356538.db2.gz JMZHPSQMELVKGC-CQSZACIVSA-N 0 3 250.386 2.476 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@](C)(C=C)CC)CC1 ZINC000188454660 369358396 /nfs/dbraw/zinc/35/83/96/369358396.db2.gz UTBGCBCGBJMIJX-OAHLLOKOSA-N 0 3 250.386 2.355 20 30 CEEDHN CC1(C)C[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349853488 369424541 /nfs/dbraw/zinc/42/45/41/369424541.db2.gz MDHZJHYMVVBRQS-CABCVRRESA-N 0 3 281.359 2.403 20 30 CEEDHN C=CCc1cc(CN[C@@H]2C[C@@H](O)C2(C)C)cc(OC)c1O ZINC000189335331 369499849 /nfs/dbraw/zinc/49/98/49/369499849.db2.gz QUURRTGWYHMFHX-HUUCEWRRSA-N 0 3 291.391 2.378 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000330927148 203396335 /nfs/dbraw/zinc/39/63/35/203396335.db2.gz JTHGZVKFSWVNHJ-ZIAGYGMSSA-N 0 3 285.391 2.295 20 30 CEEDHN C=CCCN(C)Cc1cc(-c2cnn(C)c2C)no1 ZINC000276355402 193296974 /nfs/dbraw/zinc/29/69/74/193296974.db2.gz FAKVMBJEMGOBOI-UHFFFAOYSA-N 0 3 260.341 2.391 20 30 CEEDHN C=CCCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000276430243 193327716 /nfs/dbraw/zinc/32/77/16/193327716.db2.gz RNTJKIDEUOBXRY-MRXNPFEDSA-N 0 3 287.407 2.478 20 30 CEEDHN CCCN(CCCC(C)(C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000174819133 261197844 /nfs/dbraw/zinc/19/78/44/261197844.db2.gz VJDVJIMCVIJPLV-ZDUSSCGKSA-N 0 3 286.441 2.215 20 30 CEEDHN C=C(C)CCN1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000352407044 369716086 /nfs/dbraw/zinc/71/60/86/369716086.db2.gz OXPYWPNJSNAQBI-CQSZACIVSA-N 0 3 265.401 2.030 20 30 CEEDHN C=CCCN(C)CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000276508725 193362343 /nfs/dbraw/zinc/36/23/43/193362343.db2.gz XDHUBFRSFBFGOS-UHFFFAOYSA-N 0 3 276.380 2.162 20 30 CEEDHN C=CCN(CCOC)CCC(=O)Nc1ccccc1F ZINC000191117975 369680656 /nfs/dbraw/zinc/68/06/56/369680656.db2.gz GMZZKJNJXUJQSX-UHFFFAOYSA-N 0 3 280.343 2.289 20 30 CEEDHN C=CCC1(C(=O)NC[C@H](C)N(C)C2CC2)CCC1 ZINC000191149046 369685501 /nfs/dbraw/zinc/68/55/01/369685501.db2.gz ZAVQZDNPEDPSPH-LBPRGKRZSA-N 0 3 250.386 2.332 20 30 CEEDHN C[C@H](CO)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352836442 369903625 /nfs/dbraw/zinc/90/36/25/369903625.db2.gz UIDATASRHNUEPR-VIFPVBQESA-N 0 3 272.270 2.295 20 30 CEEDHN CC(C)(CNCc1nc(C#N)cs1)N1CCCCC1 ZINC000352855619 369916394 /nfs/dbraw/zinc/91/63/94/369916394.db2.gz TXWRYJJWQUAIMG-UHFFFAOYSA-N 0 3 278.425 2.369 20 30 CEEDHN C[C@@H](CN1CCCCCC1)NCc1nc(C#N)cs1 ZINC000352862771 369920397 /nfs/dbraw/zinc/92/03/97/369920397.db2.gz QAZOAUDPMGKDQW-LBPRGKRZSA-N 0 3 278.425 2.369 20 30 CEEDHN COc1ccc(CN2CC[C@H](O)C23CCCC3)cc1C#N ZINC000353995950 370169941 /nfs/dbraw/zinc/16/99/41/370169941.db2.gz MKTIPQKWGMGFIZ-INIZCTEOSA-N 0 3 286.375 2.446 20 30 CEEDHN N#Cc1ccc(CN2CCC(O[C@H]3CCOC3)CC2)cc1 ZINC000354010641 370176773 /nfs/dbraw/zinc/17/67/73/370176773.db2.gz PEJLXDIFHAWMDR-KRWDZBQOSA-N 0 3 286.375 2.328 20 30 CEEDHN Cc1ccncc1CNCCOc1ccc(C#N)cc1 ZINC000354474195 370379426 /nfs/dbraw/zinc/37/94/26/370379426.db2.gz ZKJVYBNBONZSQO-UHFFFAOYSA-N 0 3 267.332 2.430 20 30 CEEDHN COc1ccc(CN2CCC[C@](C)(O)CC2)cc1C#N ZINC000230352492 370453987 /nfs/dbraw/zinc/45/39/87/370453987.db2.gz RVGUUEJAKTVYKX-INIZCTEOSA-N 0 3 274.364 2.304 20 30 CEEDHN CN(CCNC(=O)C[C@@H](CC#N)c1ccccc1)C1CC1 ZINC000355139136 370518650 /nfs/dbraw/zinc/51/86/50/370518650.db2.gz VPPSJMBZTNUABL-OAHLLOKOSA-N 0 3 285.391 2.284 20 30 CEEDHN COc1cc(CNC[C@H]2CCCCO2)ccc1C#N ZINC000234920567 370550176 /nfs/dbraw/zinc/55/01/76/370550176.db2.gz CHEZURCTIYGHFP-CQSZACIVSA-N 0 3 260.337 2.226 20 30 CEEDHN COc1cc(CN[C@@H](C)[C@H]2CCCO2)ccc1C#N ZINC000234937282 370551052 /nfs/dbraw/zinc/55/10/52/370551052.db2.gz WDSUPYNERFBJHX-SMDDNHRTSA-N 0 3 260.337 2.224 20 30 CEEDHN C=C[C@H](C)N[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000358294250 370998920 /nfs/dbraw/zinc/99/89/20/370998920.db2.gz JGZPNAXRDQZOEB-QWHCGFSZSA-N 0 3 294.420 2.452 20 30 CEEDHN C[C@@H](NCCN1CCSCC1)c1ccc(C#N)cc1F ZINC000358567127 371121130 /nfs/dbraw/zinc/12/11/30/371121130.db2.gz JMOGSIZSXVXNHY-GFCCVEGCSA-N 0 3 293.411 2.397 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2c3ccccc3C[C@H]2O)C1 ZINC000248747659 371242208 /nfs/dbraw/zinc/24/22/08/371242208.db2.gz FOWXPBCKEJPSNW-WXYCVUISSA-N 0 3 256.349 2.317 20 30 CEEDHN Cn1cc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1C#N ZINC000248814762 371248882 /nfs/dbraw/zinc/24/88/82/371248882.db2.gz DIASQCCYPYGANH-YJBOKZPZSA-N 0 3 298.434 2.345 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)CCOCc1ccccc1 ZINC000360578835 371519660 /nfs/dbraw/zinc/51/96/60/371519660.db2.gz HGCWGJPHCFZVHM-OLZOCXBDSA-N 0 3 260.337 2.258 20 30 CEEDHN CC#CCCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000361578817 371943813 /nfs/dbraw/zinc/94/38/13/371943813.db2.gz AGVYIVMWKUGPJV-WBVHZDCISA-N 0 3 299.418 2.220 20 30 CEEDHN C[C@H]1C[C@H](CO)CCN1CCOc1cccc(C#N)c1 ZINC000344124919 217060831 /nfs/dbraw/zinc/06/08/31/217060831.db2.gz HQFKVDNSFNOPII-DZGCQCFKSA-N 0 3 274.364 2.030 20 30 CEEDHN COc1ccc(CN2CC[C@H](CO)C[C@H]2C)cc1C#N ZINC000344144772 217072772 /nfs/dbraw/zinc/07/27/72/217072772.db2.gz OEYHSCKFRGVGFL-OCCSQVGLSA-N 0 3 274.364 2.160 20 30 CEEDHN C=CCOc1ccccc1CN1C[C@@H](C)[C@H](CO)C1 ZINC000361654483 372006234 /nfs/dbraw/zinc/00/62/34/372006234.db2.gz LANGFUACERSBPG-HIFRSBDPSA-N 0 3 261.365 2.312 20 30 CEEDHN C=CCC[C@@H](O)CN(Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000268428781 372101184 /nfs/dbraw/zinc/10/11/84/372101184.db2.gz AWLYSDNQWAGXPJ-MRXNPFEDSA-N 0 3 288.391 2.077 20 30 CEEDHN CSCC[C@@H](CO)N[C@H](C)c1cccc(C#N)c1 ZINC000344305758 217142978 /nfs/dbraw/zinc/14/29/78/217142978.db2.gz VVCUEEBCBOYZBH-RISCZKNCSA-N 0 3 264.394 2.323 20 30 CEEDHN COCCOC[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000344304969 217143419 /nfs/dbraw/zinc/14/34/19/217143419.db2.gz ORCBTWMSWTWZEC-QWHCGFSZSA-N 0 3 262.353 2.260 20 30 CEEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)[C@H](CO)SC)cc1 ZINC000268987959 372308808 /nfs/dbraw/zinc/30/88/08/372308808.db2.gz GBYIAKRDSKYJEB-XEZPLFJOSA-N 0 3 293.432 2.462 20 30 CEEDHN CC(C)NC(=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)o2)C1 ZINC000344373461 217173807 /nfs/dbraw/zinc/17/38/07/217173807.db2.gz SNOQCDIFVCNIHC-OLZOCXBDSA-N 0 3 289.379 2.324 20 30 CEEDHN N#Cc1cccc(CNC[C@]2(O)CCc3ccccc32)c1 ZINC000269814518 372571192 /nfs/dbraw/zinc/57/11/92/372571192.db2.gz NJEGFCWJRIGWCN-GOSISDBHSA-N 0 3 278.355 2.482 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cc2ccccc2n1C ZINC000641766746 372705962 /nfs/dbraw/zinc/70/59/62/372705962.db2.gz BBKPOJCSJKBPNT-AWEZNQCLSA-N 0 3 256.349 2.042 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cccc2cnccc21 ZINC000641768334 372707488 /nfs/dbraw/zinc/70/74/88/372707488.db2.gz ZTLQXRWRUSCPQV-HNNXBMFYSA-N 0 3 254.333 2.099 20 30 CEEDHN C=C[C@H](CC(=O)N(C)CCN(C)C)c1ccccc1 ZINC000270334374 372744869 /nfs/dbraw/zinc/74/48/69/372744869.db2.gz CLADGHROOVEZMR-CQSZACIVSA-N 0 3 260.381 2.366 20 30 CEEDHN CO[C@H]1C[C@@H](NCc2cnc3ccc(C#N)cn23)C1(C)C ZINC000344716526 217285996 /nfs/dbraw/zinc/28/59/96/217285996.db2.gz SHZGYCLCIPEXOE-KGLIPLIRSA-N 0 3 284.363 2.109 20 30 CEEDHN CN1CCN(Cc2cc(F)ccc2C#N)C(C)(C)C1 ZINC000271002282 373058586 /nfs/dbraw/zinc/05/85/86/373058586.db2.gz GKABDBOEYISDBO-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN C#CCCOc1ccc(CN2CCC(CO)CC2)cc1 ZINC000271038441 373084204 /nfs/dbraw/zinc/08/42/04/373084204.db2.gz KRTIQRFHZOBDOS-UHFFFAOYSA-N 0 3 273.376 2.293 20 30 CEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(C#N)cc1 ZINC000271064167 373101144 /nfs/dbraw/zinc/10/11/44/373101144.db2.gz WQVSKXFBTCTAMJ-CYBMUJFWSA-N 0 3 285.391 2.361 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)[C@@H](CO)C(C)(C)C ZINC000271081862 373110638 /nfs/dbraw/zinc/11/06/38/373110638.db2.gz YOOQPNAXEQZQER-HNNXBMFYSA-N 0 3 276.380 2.406 20 30 CEEDHN C#CCOc1ccccc1CN1CCC(O)(CC)CC1 ZINC000271170629 373158602 /nfs/dbraw/zinc/15/86/02/373158602.db2.gz DMSUQTVRDDYJBV-UHFFFAOYSA-N 0 3 273.376 2.436 20 30 CEEDHN N#CC1(CCCN2CCC[C@H]3OCC[C@H]32)CCOCC1 ZINC000366902768 373128820 /nfs/dbraw/zinc/12/88/20/373128820.db2.gz LTHMSBCPIINKNK-HUUCEWRRSA-N 0 3 278.396 2.340 20 30 CEEDHN Cn1cc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)cc1C#N ZINC000344843033 217330307 /nfs/dbraw/zinc/33/03/07/217330307.db2.gz GJTYCJHQZKOLNY-CYBMUJFWSA-N 0 3 297.362 2.147 20 30 CEEDHN C=CCN(CC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000369145087 373343462 /nfs/dbraw/zinc/34/34/62/373343462.db2.gz TUDNCQDFNPSNTP-MRXNPFEDSA-N 0 3 255.365 2.272 20 30 CEEDHN C=CCN(CC=C)[C@@H](CN1C(=O)N[C@@H](CC)C1=O)C(C)C ZINC000272274285 373401907 /nfs/dbraw/zinc/40/19/07/373401907.db2.gz NOUDUTRHCRNDCT-KBPBESRZSA-N 0 3 293.411 2.015 20 30 CEEDHN C=CCOCCN[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000272491770 373513933 /nfs/dbraw/zinc/51/39/33/373513933.db2.gz CKKGXHPHJJQOCN-ZDUSSCGKSA-N 0 3 272.352 2.121 20 30 CEEDHN Cn1cc(C[C@@H]2CCN(Cc3ccccc3C#N)C2)cn1 ZINC000370002512 373554674 /nfs/dbraw/zinc/55/46/74/373554674.db2.gz PSSFAXQUKMZVHU-AWEZNQCLSA-N 0 3 280.375 2.356 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H](C)CCC=C(C)C ZINC000272878401 373692285 /nfs/dbraw/zinc/69/22/85/373692285.db2.gz QDDYTDNZJIXPNI-ZDUSSCGKSA-N 0 3 259.415 2.312 20 30 CEEDHN CCSCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000370731700 373729846 /nfs/dbraw/zinc/72/98/46/373729846.db2.gz ZHSQWDAVLIPDPA-CYBMUJFWSA-N 0 3 277.393 2.159 20 30 CEEDHN C#CCN(CCC(=O)Nc1ccccc1F)C1CC1 ZINC000274130743 373820118 /nfs/dbraw/zinc/82/01/18/373820118.db2.gz IKLDJXUUCPLFAF-UHFFFAOYSA-N 0 3 260.312 2.252 20 30 CEEDHN CC#CCCCC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000274324207 373881034 /nfs/dbraw/zinc/88/10/34/373881034.db2.gz HCEJBJTVWDWUKT-UHFFFAOYSA-N 0 3 298.430 2.395 20 30 CEEDHN C=CCCCCNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000274529059 373952877 /nfs/dbraw/zinc/95/28/77/373952877.db2.gz CXXKHQVVCVOYHY-CYBMUJFWSA-N 0 3 265.401 2.292 20 30 CEEDHN CC1(C)[C@H](NCc2ccc(C#N)o2)[C@H]2CCCO[C@@H]21 ZINC000371799450 373980749 /nfs/dbraw/zinc/98/07/49/373980749.db2.gz OTOVJYVOBIGWIA-MCIONIFRSA-N 0 3 260.337 2.444 20 30 CEEDHN C=CC[C@H](C(=O)NC[C@H](C)N(C)C)c1ccccc1 ZINC000275166656 374175443 /nfs/dbraw/zinc/17/54/43/374175443.db2.gz SWORYDMTAVRLCP-ZFWWWQNUSA-N 0 3 260.381 2.413 20 30 CEEDHN Cn1cc(CN2CCCC3(CCOCC3)C2)cc1C#N ZINC000276757811 374289967 /nfs/dbraw/zinc/28/99/67/374289967.db2.gz MIHLXQJSZOABMP-UHFFFAOYSA-N 0 3 273.380 2.289 20 30 CEEDHN CN(C)c1cccc(CNCc2cc(C#N)n(C)c2)c1 ZINC000276991113 374372564 /nfs/dbraw/zinc/37/25/64/374372564.db2.gz WEUFLNWNQWHKLF-UHFFFAOYSA-N 0 3 268.364 2.253 20 30 CEEDHN N#Cc1ccc(CNC2CCN(c3cccnn3)CC2)s1 ZINC000277128605 374411489 /nfs/dbraw/zinc/41/14/89/374411489.db2.gz ZNTGWXSQOCMVSK-UHFFFAOYSA-N 0 3 299.403 2.168 20 30 CEEDHN Cn1cc(CN2CCCO[C@H]3CCC[C@@H]32)cc1C#N ZINC000373817999 374424979 /nfs/dbraw/zinc/42/49/79/374424979.db2.gz GGGSDBOPEOFSDL-GJZGRUSLSA-N 0 3 259.353 2.040 20 30 CEEDHN N#Cc1cccc(NC[C@H]2CCCCN2C2CC2)n1 ZINC000277425612 374513598 /nfs/dbraw/zinc/51/35/98/374513598.db2.gz MAEDJXIOKIBHQL-CQSZACIVSA-N 0 3 256.353 2.382 20 30 CEEDHN COc1cc(CN[C@H]2Cc3ccccc3[C@H]2O)ccc1C#N ZINC000374148396 374500600 /nfs/dbraw/zinc/50/06/00/374500600.db2.gz ZCBKNNXKEJEURK-FUHWJXTLSA-N 0 3 294.354 2.315 20 30 CEEDHN C#CCCCN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278348983 374789150 /nfs/dbraw/zinc/78/91/50/374789150.db2.gz CXCBQOKUBPJXDN-CYBMUJFWSA-N 0 3 262.328 2.477 20 30 CEEDHN CC[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(C#N)cc1 ZINC000278358654 374791295 /nfs/dbraw/zinc/79/12/95/374791295.db2.gz BFLYCFGHVGCBAL-GDBMZVCRSA-N 0 3 283.375 2.362 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(F)F)C(C)C ZINC000279063848 374842987 /nfs/dbraw/zinc/84/29/87/374842987.db2.gz QHWNGJSKNSFNAZ-LLVKDONJSA-N 0 3 260.328 2.066 20 30 CEEDHN COc1cc(CN2CC[C@@](CO)(C(C)C)C2)ccc1C#N ZINC000378125880 375024533 /nfs/dbraw/zinc/02/45/33/375024533.db2.gz BSTDFCKCMXQFNJ-QGZVFWFLSA-N 0 3 288.391 2.407 20 30 CEEDHN C[C@H](C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379720525 375155501 /nfs/dbraw/zinc/15/55/01/375155501.db2.gz ZATSMANWZBLEDG-FMKPAKJESA-N 0 3 285.391 2.315 20 30 CEEDHN C#CCOc1ccccc1CNCCC(C)(C)C(=O)OC ZINC000280662098 375275907 /nfs/dbraw/zinc/27/59/07/375275907.db2.gz BPOUGPPWVWPILL-UHFFFAOYSA-N 0 3 289.375 2.378 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000280783865 375320287 /nfs/dbraw/zinc/32/02/87/375320287.db2.gz BLFQINVYSXZKNB-NSHDSACASA-N 0 3 289.379 2.262 20 30 CEEDHN C=CCN1CC[C@@H](N2CC[C@@H](c3ccccc3)C2)C1=O ZINC000281136477 375359574 /nfs/dbraw/zinc/35/95/74/375359574.db2.gz AFBBBZZEMLQZRN-HZPDHXFCSA-N 0 3 270.376 2.263 20 30 CEEDHN C#C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)C(C)C ZINC000281263942 375367289 /nfs/dbraw/zinc/36/72/89/375367289.db2.gz DJHLHABDQWPKSZ-OAHLLOKOSA-N 0 3 258.365 2.136 20 30 CEEDHN CN(C)CC1(NCc2ccc(C#N)cc2F)CCC1 ZINC000282404023 375476496 /nfs/dbraw/zinc/47/64/96/375476496.db2.gz YSYNRDVXCPILSY-UHFFFAOYSA-N 0 3 261.344 2.271 20 30 CEEDHN COC(=O)[C@]1(C)CN(Cc2ccc(C#N)cc2)C[C@H]1C ZINC000282426109 375481724 /nfs/dbraw/zinc/48/17/24/375481724.db2.gz CYFYXTAPQMGJLM-MLGOLLRUSA-N 0 3 272.348 2.189 20 30 CEEDHN C[C@@H](N[C@@H]1CCC(=O)NC12CCC2)c1cccc(C#N)c1 ZINC000282943100 375620233 /nfs/dbraw/zinc/62/02/33/375620233.db2.gz ZXGQEHVGRIYXIR-IUODEOHRSA-N 0 3 283.375 2.410 20 30 CEEDHN C=CC(C)(C)CNC(=O)NC[C@H](N)c1ccccc1 ZINC000418242829 376244814 /nfs/dbraw/zinc/24/48/14/376244814.db2.gz BJGNLJQTLRZMNP-ZDUSSCGKSA-N 0 3 261.369 2.198 20 30 CEEDHN C[C@H](NCCn1cnc(C#N)n1)c1cc2ccccc2o1 ZINC000287583106 376266608 /nfs/dbraw/zinc/26/66/08/376266608.db2.gz RCZPEASPUGPWHF-NSHDSACASA-N 0 3 281.319 2.247 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2ccc(C)s2)CC1 ZINC000264526992 190116178 /nfs/dbraw/zinc/11/61/78/190116178.db2.gz YULRYWOJUGRNQS-UHFFFAOYSA-N 0 3 278.421 2.366 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000560624935 376773379 /nfs/dbraw/zinc/77/33/79/376773379.db2.gz XRGRJFSBLDWIOV-LSDHHAIUSA-N 0 3 283.375 2.175 20 30 CEEDHN C[C@@H]1C[C@H](C(=O)NC2CCN(C3CC3)CC2)CC(=O)N1 ZINC000329321849 376943833 /nfs/dbraw/zinc/94/38/33/376943833.db2.gz JJKWWAGOTIUXNN-MNOVXSKESA-N 0 3 279.384 2.325 20 30 CEEDHN CCc1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc(=O)[nH]1 ZINC000329360055 376953541 /nfs/dbraw/zinc/95/35/41/376953541.db2.gz XUCSNYFJNBTJAV-NSHDSACASA-N 0 3 289.379 2.305 20 30 CEEDHN N#Cc1cc(F)ccc1CN[C@@H]1CCC[C@@H]1CCO ZINC000330547879 377181345 /nfs/dbraw/zinc/18/13/45/377181345.db2.gz ATRYNZOELQXAMC-IAQYHMDHSA-N 0 3 262.328 2.338 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cc(C#N)ccc1F ZINC000330943974 377207736 /nfs/dbraw/zinc/20/77/36/377207736.db2.gz GAGPEIXITPGCDX-VXGBXAGGSA-N 0 3 289.354 2.186 20 30 CEEDHN C#Cc1ccccc1CC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000292629758 377258109 /nfs/dbraw/zinc/25/81/09/377258109.db2.gz VEZOYUFVBZJFSP-ROUUACIJSA-N 0 3 296.414 2.153 20 30 CEEDHN CC#CCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000292624807 377258577 /nfs/dbraw/zinc/25/85/77/377258577.db2.gz SDAQUSWOKPARRG-HIFRSBDPSA-N 0 3 273.380 2.000 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425067528 377328143 /nfs/dbraw/zinc/32/81/43/377328143.db2.gz RRAARHNFFQNHGJ-GZBFAFLISA-N 0 3 250.386 2.141 20 30 CEEDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CCOc1ccccc1C#N ZINC000331303466 377366758 /nfs/dbraw/zinc/36/67/58/377366758.db2.gz XURFKCCPQUMSBN-YCPHGPKFSA-N 0 3 288.391 2.418 20 30 CEEDHN C#CCCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000264942654 190146779 /nfs/dbraw/zinc/14/67/79/190146779.db2.gz HCJQAHUJQROFNT-UHFFFAOYSA-N 0 3 299.418 2.146 20 30 CEEDHN CCN(C(=O)C(C#N)CCc1ccccc1)[C@@H]1CCOC1 ZINC000428564215 377496076 /nfs/dbraw/zinc/49/60/76/377496076.db2.gz DOHFDBBFLKFVOY-JKSUJKDBSA-N 0 3 286.375 2.396 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000429591538 377517556 /nfs/dbraw/zinc/51/75/56/377517556.db2.gz OGHOBQXQSCMGIN-ZIAGYGMSSA-N 0 3 250.386 2.307 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1cc(C)c(C(=O)OC)o1 ZINC000429720624 377520587 /nfs/dbraw/zinc/52/05/87/377520587.db2.gz FIFPVWQATYSRGD-UHFFFAOYSA-N 0 3 294.395 2.314 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC(C)=C[C@H](C)C1 ZINC000430266111 377528284 /nfs/dbraw/zinc/52/82/84/377528284.db2.gz XFDOGGIZPAENHA-DZGCQCFKSA-N 0 3 262.397 2.474 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccnn1-c1ccccc1 ZINC000281116489 542181393 /nfs/dbraw/zinc/18/13/93/542181393.db2.gz AFIFLPOVRGDDQK-KBPBESRZSA-N 0 3 271.364 2.460 20 30 CEEDHN C=CCOc1ccc(CNC[C@H](O)C2CC2)cc1OC ZINC000265291338 190172648 /nfs/dbraw/zinc/17/26/48/190172648.db2.gz ZQUKDIUTZSJPFH-AWEZNQCLSA-N 0 3 277.364 2.121 20 30 CEEDHN CCCn1nccc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000565243824 377623811 /nfs/dbraw/zinc/62/38/11/377623811.db2.gz AGMKKEDTNBDGLV-LBPRGKRZSA-N 0 3 283.335 2.190 20 30 CEEDHN N#Cc1ccc(CN2CCCC[C@@H]2C2(O)CC2)s1 ZINC000565372351 377652511 /nfs/dbraw/zinc/65/25/11/377652511.db2.gz VZOVCHUPYVFNDR-CYBMUJFWSA-N 0 3 262.378 2.499 20 30 CEEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)nn1 ZINC000566095060 377723725 /nfs/dbraw/zinc/72/37/25/377723725.db2.gz BNPRNRUIZQLGJA-QLFBSQMISA-N 0 3 290.411 2.149 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000333209404 377756322 /nfs/dbraw/zinc/75/63/22/377756322.db2.gz PJWWBOXVJMDDSP-CJNGLKHVSA-N 0 3 275.396 2.061 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCCCO1 ZINC000433307225 377787246 /nfs/dbraw/zinc/78/72/46/377787246.db2.gz UXXSXJSQVQDKMK-HOTGVXAUSA-N 0 3 286.375 2.444 20 30 CEEDHN CN(C[C@@H]1CCOC1)C(=O)C(C#N)CCc1ccccc1 ZINC000433360650 377791162 /nfs/dbraw/zinc/79/11/62/377791162.db2.gz FFVCRTKPRPFDQI-JKSUJKDBSA-N 0 3 286.375 2.254 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000437412103 377844190 /nfs/dbraw/zinc/84/41/90/377844190.db2.gz PFTLBVUGQPHYLY-GDPRMGEGSA-N 0 3 280.274 2.420 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000437599705 377854407 /nfs/dbraw/zinc/85/44/07/377854407.db2.gz DEFMXCMOEQAMSL-GDBMZVCRSA-N 0 3 282.428 2.063 20 30 CEEDHN COc1cccc(C(C)(C)CNC(=O)C(C)C#N)c1 ZINC000441563278 377950224 /nfs/dbraw/zinc/95/02/24/377950224.db2.gz JHUWGTOSVYZHPR-LLVKDONJSA-N 0 3 260.337 2.249 20 30 CEEDHN C=CC(C)(C)C(=O)NCc1ccccc1OCCN(C)C ZINC000294750716 378017174 /nfs/dbraw/zinc/01/71/74/378017174.db2.gz PFDHSQOUPGAFNK-UHFFFAOYSA-N 0 3 290.407 2.455 20 30 CEEDHN CS(=O)(=O)Cc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442781689 377994595 /nfs/dbraw/zinc/99/45/95/377994595.db2.gz NFMAXPAEDGRZPB-SWLSCSKDSA-N 0 3 292.404 2.013 20 30 CEEDHN C#CCCCCN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294573745 377997559 /nfs/dbraw/zinc/99/75/59/377997559.db2.gz CBRVYSYNDBTRPE-CQSZACIVSA-N 0 3 272.327 2.426 20 30 CEEDHN C#CCN(C)CCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000294947968 378031360 /nfs/dbraw/zinc/03/13/60/378031360.db2.gz IKCLFTBKABMCFU-GFCCVEGCSA-N 0 3 264.344 2.137 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](C(C)C)C1 ZINC000446734152 378085494 /nfs/dbraw/zinc/08/54/94/378085494.db2.gz JMKFWFFBOCUSRR-CQSZACIVSA-N 0 3 250.386 2.165 20 30 CEEDHN C=CC[C@@H]1N(CC(=O)NCCCOC)CCCC1(C)C ZINC000444784793 378079812 /nfs/dbraw/zinc/07/98/12/378079812.db2.gz WPVCCSWZMLNEMG-AWEZNQCLSA-N 0 3 282.428 2.206 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](C(C)C)C1 ZINC000444771873 378080691 /nfs/dbraw/zinc/08/06/91/378080691.db2.gz LIWJQPHIEWGXIB-LSDHHAIUSA-N 0 3 279.428 2.363 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@H](C)NC1CC1 ZINC000295277835 378081311 /nfs/dbraw/zinc/08/13/11/378081311.db2.gz WCZISXKMVXQBAK-LBPRGKRZSA-N 0 3 274.364 2.008 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(C(F)(F)F)CCC2)CC1 ZINC000448923250 378191550 /nfs/dbraw/zinc/19/15/50/378191550.db2.gz TVKGITSWAFLRQC-UHFFFAOYSA-N 0 3 290.329 2.486 20 30 CEEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)NCCc1ccccc1 ZINC000449581374 378216070 /nfs/dbraw/zinc/21/60/70/378216070.db2.gz ZNEPZBQQHWNDKN-BHYGNILZSA-N 0 3 299.418 2.406 20 30 CEEDHN C=CCCCN(C)Cc1ccc2c(c1)NC(=O)CO2 ZINC000295451754 378163901 /nfs/dbraw/zinc/16/39/01/378163901.db2.gz VGXLIMLFTXBXCH-UHFFFAOYSA-N 0 3 260.337 2.416 20 30 CEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000448603128 378175308 /nfs/dbraw/zinc/17/53/08/378175308.db2.gz DGCWNFXAIVVOTA-HFTRVMKXSA-N 0 3 297.402 2.489 20 30 CEEDHN C[C@H](CO)[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC000295858859 378331451 /nfs/dbraw/zinc/33/14/51/378331451.db2.gz YBSYJSRHMCRFAZ-NEPJUHHUSA-N 0 3 251.757 2.298 20 30 CEEDHN N#C[C@H]1CCC[C@H](N2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C1 ZINC000296532645 378565127 /nfs/dbraw/zinc/56/51/27/378565127.db2.gz QNKAVWUPGGBVRB-JONQDZQNSA-N 0 3 297.402 2.350 20 30 CEEDHN C=CCOc1cccc(NC(=O)[C@H](C)NC2CC2)c1 ZINC000296545726 378569435 /nfs/dbraw/zinc/56/94/35/378569435.db2.gz UBTISGLJTLBYGH-NSHDSACASA-N 0 3 260.337 2.330 20 30 CEEDHN C#Cc1cccc(N(CC)C(=O)C2CCN(C)CC2)c1 ZINC000266170402 190237229 /nfs/dbraw/zinc/23/72/29/190237229.db2.gz SCHZVLRAXPWZEI-UHFFFAOYSA-N 0 3 270.376 2.363 20 30 CEEDHN C#CCOc1ccc(CNC[C@@](C)(O)c2ccco2)cc1 ZINC000266159530 190236290 /nfs/dbraw/zinc/23/62/90/190236290.db2.gz NDFBSVYIFYDGSP-QGZVFWFLSA-N 0 3 285.343 2.289 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000346803565 218018903 /nfs/dbraw/zinc/01/89/03/218018903.db2.gz KOXDQKZZKTWEOX-QGZVFWFLSA-N 0 3 284.334 2.391 20 30 CEEDHN C#CCN(CC)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000299169144 378924021 /nfs/dbraw/zinc/92/40/21/378924021.db2.gz QTSABWRTYJKQBE-AEFFLSMTSA-N 0 3 287.403 2.397 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CO)C2CCCC2)s1 ZINC000289463446 197359881 /nfs/dbraw/zinc/35/98/81/197359881.db2.gz CRSVSZIUULLGAU-ZDUSSCGKSA-N 0 3 250.367 2.260 20 30 CEEDHN C[C@H]1C[C@@H](Nc2ncc3c(c2C#N)CCC3)CN1C1CC1 ZINC000515298676 379202853 /nfs/dbraw/zinc/20/28/53/379202853.db2.gz BMCBCXKEZVIUKA-WCQYABFASA-N 0 3 282.391 2.479 20 30 CEEDHN N#Cc1cccc(NCCN2CCc3ccccc3C2)n1 ZINC000301297466 379251497 /nfs/dbraw/zinc/25/14/97/379251497.db2.gz YKNRHPXATPQMIE-UHFFFAOYSA-N 0 3 278.359 2.423 20 30 CEEDHN CN(C)CCN(C)C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000455843007 379255902 /nfs/dbraw/zinc/25/59/02/379255902.db2.gz LAHHFMOBPVDLER-UHFFFAOYSA-N 0 3 287.407 2.147 20 30 CEEDHN C=CCN1CCC(NC(=O)c2c(F)cccc2OC)CC1 ZINC000266799813 190281230 /nfs/dbraw/zinc/28/12/30/190281230.db2.gz CSCKZURPVFUOBI-UHFFFAOYSA-N 0 3 292.354 2.215 20 30 CEEDHN N#Cc1csc(CNC[C@@H](O)Cc2ccccc2)c1 ZINC000304616166 379586520 /nfs/dbraw/zinc/58/65/20/379586520.db2.gz GSTFVTYXRPYBSQ-AWEZNQCLSA-N 0 3 272.373 2.313 20 30 CEEDHN CCN1C[C@H](C)N(Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000347711902 218330480 /nfs/dbraw/zinc/33/04/80/218330480.db2.gz ZLYLCKUPVWEBJI-KBPBESRZSA-N 0 3 257.381 2.473 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC[C@H]1C(C)(C)O ZINC000305715172 379738454 /nfs/dbraw/zinc/73/84/54/379738454.db2.gz GUZGOLYVBVFCFC-HNNXBMFYSA-N 0 3 274.364 2.302 20 30 CEEDHN C#CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000267512190 190335402 /nfs/dbraw/zinc/33/54/02/190335402.db2.gz MFYCMOXZTHGNPF-DOTOQJQBSA-N 0 3 299.418 2.362 20 30 CEEDHN N#Cc1ccc(CNCCNc2ccccn2)s1 ZINC000347811485 218365653 /nfs/dbraw/zinc/36/56/53/218365653.db2.gz BMRNYXBUDGEFKP-UHFFFAOYSA-N 0 3 258.350 2.216 20 30 CEEDHN CO[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@H]1OC ZINC000488020506 380090573 /nfs/dbraw/zinc/09/05/73/380090573.db2.gz BOOYOGSKKKRMJT-HZPDHXFCSA-N 0 3 288.391 2.333 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000528918529 380135028 /nfs/dbraw/zinc/13/50/28/380135028.db2.gz JZDYOSVRKGSPKU-QJPTWQEYSA-N 0 3 276.361 2.085 20 30 CEEDHN CCC(C#N)(CC)C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000529053481 380167159 /nfs/dbraw/zinc/16/71/59/380167159.db2.gz GDDHTRJAEMENMA-ZDUSSCGKSA-N 0 3 265.401 2.305 20 30 CEEDHN COC[C@H]1CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000529923366 380190121 /nfs/dbraw/zinc/19/01/21/380190121.db2.gz BOYQVZWHKJZYGB-HZPDHXFCSA-N 0 3 286.375 2.396 20 30 CEEDHN CC1(C)C[C@]1(C#N)NC(=O)C1CN(C2CCCCC2)C1 ZINC000333967752 380195006 /nfs/dbraw/zinc/19/50/06/380195006.db2.gz SHNRVQGJWGJIJI-MRXNPFEDSA-N 0 3 275.396 2.059 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000530335475 380200162 /nfs/dbraw/zinc/20/01/62/380200162.db2.gz VYVRZRVKLXVNLT-MGPQQGTHSA-N 0 3 275.396 2.059 20 30 CEEDHN C#C[C@H](NC[C@@H](O)COc1ccc(SC)cc1)C(C)C ZINC000491640652 380340290 /nfs/dbraw/zinc/34/02/90/380340290.db2.gz YRDJZSYPHYIERA-CJNGLKHVSA-N 0 3 293.432 2.396 20 30 CEEDHN CN(C)[C@@H](CNc1ccncc1C#N)c1ccsc1 ZINC000548480055 380524803 /nfs/dbraw/zinc/52/48/03/380524803.db2.gz RRXNJMRMYBRMRZ-AWEZNQCLSA-N 0 3 272.377 2.151 20 30 CEEDHN CC(C#N)C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000334556364 380586245 /nfs/dbraw/zinc/58/62/45/380586245.db2.gz YAGWIVJOSBVSNO-NSHDSACASA-N 0 3 288.322 2.407 20 30 CEEDHN N#Cc1ccccc1CN1CCCC[C@H]1C1(O)CC1 ZINC000334793085 207086091 /nfs/dbraw/zinc/08/60/91/207086091.db2.gz UIKPRAOFOORVSF-HNNXBMFYSA-N 0 3 256.349 2.438 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000493909665 381151098 /nfs/dbraw/zinc/15/10/98/381151098.db2.gz XUKZZGUMMPUYAF-VXGBXAGGSA-N 0 3 254.374 2.408 20 30 CEEDHN C#CCCN1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495321677 381170818 /nfs/dbraw/zinc/17/08/18/381170818.db2.gz HJTPKOPPKUVCEI-MRXNPFEDSA-N 0 3 278.396 2.343 20 30 CEEDHN C#CCCN1CCCC[C@H]1COC(=O)NCCCC ZINC000496598380 381221102 /nfs/dbraw/zinc/22/11/02/381221102.db2.gz CMNSZIRLHKNIII-AWEZNQCLSA-N 0 3 266.385 2.391 20 30 CEEDHN CCNC(=O)OC[C@@H]1CCCCN1CCCCC#N ZINC000496928048 381234528 /nfs/dbraw/zinc/23/45/28/381234528.db2.gz GJSVOKAQUYGHDA-ZDUSSCGKSA-N 0 3 267.373 2.281 20 30 CEEDHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(C#N)cs1 ZINC000449513804 269703917 /nfs/dbraw/zinc/70/39/17/269703917.db2.gz UJXQPVAELHYQHR-OLZOCXBDSA-N 0 3 278.377 2.441 20 30 CEEDHN CO[C@@](C)([C@H](C)NCc1cnc2ccc(C#N)cn12)C1CC1 ZINC000414504384 533019816 /nfs/dbraw/zinc/01/98/16/533019816.db2.gz SJZUGXOBCQGMON-SJCJKPOMSA-N 0 3 298.390 2.499 20 30 CEEDHN CN(C)CC1(NC(=O)c2c(F)cc(C#N)cc2F)CCC1 ZINC000281179243 195137858 /nfs/dbraw/zinc/13/78/58/195137858.db2.gz YMRRMEOXVHLIKG-UHFFFAOYSA-N 0 3 293.317 2.051 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccccc1Br ZINC000347037090 533114636 /nfs/dbraw/zinc/11/46/36/533114636.db2.gz NBOQMRGLPIZIMA-VIFPVBQESA-N 0 3 281.153 2.267 20 30 CEEDHN C#CCOc1ccccc1CNCCCc1cnn(C)c1 ZINC000237778336 533197901 /nfs/dbraw/zinc/19/79/01/533197901.db2.gz DYVWIHIYEMCGJV-UHFFFAOYSA-N 0 3 283.375 2.155 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000281422915 195234834 /nfs/dbraw/zinc/23/48/34/195234834.db2.gz YDBCKYKUHSYNOT-DOMZBBRYSA-N 0 3 287.363 2.016 20 30 CEEDHN COc1ccc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cn1 ZINC000329137335 533223021 /nfs/dbraw/zinc/22/30/21/533223021.db2.gz DFGKXBLCYIRRSC-CYBMUJFWSA-N 0 3 289.379 2.412 20 30 CEEDHN COc1cc(CN[C@@H]2C[C@@H](C)N(C3CC3)C2)ccc1C#N ZINC000281826637 195398640 /nfs/dbraw/zinc/39/86/40/195398640.db2.gz XIHJKJBTXAPPKY-IUODEOHRSA-N 0 3 285.391 2.282 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H](CCO)C(C)C ZINC000162199028 533270297 /nfs/dbraw/zinc/27/02/97/533270297.db2.gz FBOMRQQGUPOCGQ-AWEZNQCLSA-N 0 3 262.353 2.063 20 30 CEEDHN C[C@@H](CNC(=O)C1CCN(C2CC2)CC1)Cn1cccn1 ZINC000330235005 533361084 /nfs/dbraw/zinc/36/10/84/533361084.db2.gz SZJQFXNPFSFXPX-ZDUSSCGKSA-N 0 3 290.411 2.350 20 30 CEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC1(C#N)CCC1 ZINC000331403576 533592023 /nfs/dbraw/zinc/59/20/23/533592023.db2.gz HSTZSGBYQDWDRF-CYBMUJFWSA-N 0 3 292.427 2.052 20 30 CEEDHN CC[S@@](=O)[C@@H]1CCC[C@H](NCc2cc(C#N)n(C)c2)C1 ZINC000191293691 130217936 /nfs/dbraw/zinc/21/79/36/130217936.db2.gz DAJJXFVTUHVLAB-XBHMSOGKSA-N 0 3 293.436 2.066 20 30 CEEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1nccnc1C#N ZINC000263802136 131334603 /nfs/dbraw/zinc/33/46/03/131334603.db2.gz LPHKZEPKDWBZAX-JHJVBQTASA-N 0 3 273.384 2.127 20 30 CEEDHN COCCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264083679 131391743 /nfs/dbraw/zinc/39/17/43/131391743.db2.gz FGJWJENPBWYTNR-UHFFFAOYSA-N 0 3 274.364 2.438 20 30 CEEDHN CC(C)[C@H](O)CCNCc1ccc(C#N)c(F)c1 ZINC000421369640 394514257 /nfs/dbraw/zinc/51/42/57/394514257.db2.gz WHEWIFYMXWYVBV-CQSZACIVSA-N 0 3 250.317 2.194 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)C1(C#N)CCCCC1 ZINC000044386929 394506018 /nfs/dbraw/zinc/50/60/18/394506018.db2.gz FDPUAJJGTOYNTR-AWEZNQCLSA-N 0 3 277.412 2.451 20 30 CEEDHN N#CCSCCCN1CCC(O)(C(F)(F)F)CC1 ZINC000305683760 394508973 /nfs/dbraw/zinc/50/89/73/394508973.db2.gz OZYGAKYLQGWQAS-UHFFFAOYSA-N 0 3 282.331 2.022 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCn2cncc2C1 ZINC000328962313 394557893 /nfs/dbraw/zinc/55/78/93/394557893.db2.gz QOKXTQFJZJFMIQ-UONOGXRCSA-N 0 3 290.411 2.276 20 30 CEEDHN O=C(CCc1ncc[nH]1)N[C@@H]1CCCc2cn[nH]c21 ZINC000329584919 394574597 /nfs/dbraw/zinc/57/45/97/394574597.db2.gz XXQUNWHWPYONCC-SNVBAGLBSA-N 0 3 259.313 2.100 20 30 CEEDHN O=C(NC[C@@H]1CCCCS1)N[C@@H]1CCc2[nH]cnc2C1 ZINC000329621522 394577180 /nfs/dbraw/zinc/57/71/80/394577180.db2.gz RMPJTECBYPJMEG-MNOVXSKESA-N 0 3 294.424 2.056 20 30 CEEDHN O=C(NC[C@@H]1CCCCS1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329621522 394577184 /nfs/dbraw/zinc/57/71/84/394577184.db2.gz RMPJTECBYPJMEG-MNOVXSKESA-N 0 3 294.424 2.056 20 30 CEEDHN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(=O)[n-]1 ZINC000329917924 394594749 /nfs/dbraw/zinc/59/47/49/394594749.db2.gz QXZBRNNZSDZCEY-SNVBAGLBSA-N 0 3 283.397 2.274 20 30 CEEDHN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1csc(=O)[n-]1 ZINC000329917924 394594753 /nfs/dbraw/zinc/59/47/53/394594753.db2.gz QXZBRNNZSDZCEY-SNVBAGLBSA-N 0 3 283.397 2.274 20 30 CEEDHN CCN1CCC(NC(=O)[C@H]2CCCc3nn(C)cc32)CC1 ZINC000329808392 394587415 /nfs/dbraw/zinc/58/74/15/394587415.db2.gz APTOQNHHZVDHDI-ZDUSSCGKSA-N 0 3 290.411 2.281 20 30 CEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)c1[nH]nnc1-c1ccccc1 ZINC000329937861 394595816 /nfs/dbraw/zinc/59/58/16/394595816.db2.gz SFMLGPIMOPSYOW-GFCCVEGCSA-N 0 3 297.362 2.013 20 30 CEEDHN CC(C)OC(=O)CCN(C)Cc1cccc(C#N)c1 ZINC000075596115 394613344 /nfs/dbraw/zinc/61/33/44/394613344.db2.gz VWMNTPZOLJWZEE-UHFFFAOYSA-N 0 3 260.337 2.332 20 30 CEEDHN CN(CCCSCC#N)[C@@H](CO)c1ccccc1 ZINC000266765010 394668711 /nfs/dbraw/zinc/66/87/11/394668711.db2.gz UNCAPZFEGKUVGP-AWEZNQCLSA-N 0 3 264.394 2.299 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)C2(C#N)CCCCC2)CCN1C ZINC000088055761 394645365 /nfs/dbraw/zinc/64/53/65/394645365.db2.gz PIGKVAJKRZYPSB-STQMWFEESA-N 0 3 263.385 2.059 20 30 CEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)NCCN(C)C ZINC000413835730 394648458 /nfs/dbraw/zinc/64/84/58/394648458.db2.gz NVQCVEWCGCTANI-OAHLLOKOSA-N 0 3 275.396 2.035 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@@H]1Cc1ccccc1C ZINC000358963717 394734242 /nfs/dbraw/zinc/73/42/42/394734242.db2.gz GGGPBGBAHYGTSD-MRXNPFEDSA-N 0 3 272.392 2.304 20 30 CEEDHN C=C(C)Cn1c(C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000358961143 394734711 /nfs/dbraw/zinc/73/47/11/394734711.db2.gz UKPIQXPVKPCOSD-CHWSQXEVSA-N 0 3 277.416 2.082 20 30 CEEDHN CC(C)CNC(=[NH2+])NCc1c([O-])ccc2c1CCCC2 ZINC000267466705 394680286 /nfs/dbraw/zinc/68/02/86/394680286.db2.gz WNQHDYARVGJFMO-UHFFFAOYSA-N 0 3 275.396 2.331 20 30 CEEDHN C=CC[C@@H](Cc1ccccc1)NCc1cnnn1C ZINC000414542561 394746242 /nfs/dbraw/zinc/74/62/42/394746242.db2.gz YAVVZLUKDOPNGG-AWEZNQCLSA-N 0 3 256.353 2.092 20 30 CEEDHN Cc1c(Cl)cnc(N2CCCN(C)CC2)c1C#N ZINC000273069907 394781212 /nfs/dbraw/zinc/78/12/12/394781212.db2.gz VGIQZDQNGHYUJL-UHFFFAOYSA-N 0 3 264.760 2.057 20 30 CEEDHN CC(C)(C#N)c1ccc(NC(=O)N2CCCNCC2)cc1 ZINC000335631826 394783584 /nfs/dbraw/zinc/78/35/84/394783584.db2.gz RVEGAPSPLMOEAH-UHFFFAOYSA-N 0 3 286.379 2.315 20 30 CEEDHN C[C@H](CNC(=O)CCCC#N)N1CCCC[C@@H]1C ZINC000360015591 394784593 /nfs/dbraw/zinc/78/45/93/394784593.db2.gz JUNYEVGTSBIVLI-QWHCGFSZSA-N 0 3 251.374 2.059 20 30 CEEDHN C=CCCS(=O)(=O)NCC1(N(C)C)CCCCCC1 ZINC000360181660 394792174 /nfs/dbraw/zinc/79/21/74/394792174.db2.gz RNTOOHCIQYGXRB-UHFFFAOYSA-N 0 3 288.457 2.137 20 30 CEEDHN CC(C#N)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000335909363 394810734 /nfs/dbraw/zinc/81/07/34/394810734.db2.gz CZXGGCDABCNGPK-TVQRCGJNSA-N 0 3 280.274 2.024 20 30 CEEDHN N#C[C@@H]1CC[C@H](Nc2cccc(CN3CC[C@@H](O)C3)c2)C1 ZINC000361081612 394814468 /nfs/dbraw/zinc/81/44/68/394814468.db2.gz MWGWLXCCBOHKGO-XOKHGSTOSA-N 0 3 285.391 2.357 20 30 CEEDHN C[C@@H]1CCN(C)CCN1C(=O)CCc1ccc(C#N)cc1 ZINC000336038431 394820753 /nfs/dbraw/zinc/82/07/53/394820753.db2.gz HRKQIBZOKDHBDK-CQSZACIVSA-N 0 3 285.391 2.043 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC[C@H](CC)O2)CC1 ZINC000362532318 394864415 /nfs/dbraw/zinc/86/44/15/394864415.db2.gz AFVWWEDBGYDFFR-LSDHHAIUSA-N 0 3 280.412 2.101 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000336592471 394866720 /nfs/dbraw/zinc/86/67/20/394866720.db2.gz YYMRIAVVHCRENI-GZMMTYOYSA-N 0 3 264.712 2.439 20 30 CEEDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(C#N)cc1 ZINC000278775498 394835214 /nfs/dbraw/zinc/83/52/14/394835214.db2.gz WVYRUVPDIKJZJM-OAHLLOKOSA-N 0 3 299.418 2.243 20 30 CEEDHN C=CCCC1(C(=O)N(C)[C@@H]2CCCN(C)C2)CC1 ZINC000361891511 394837369 /nfs/dbraw/zinc/83/73/69/394837369.db2.gz WUBAAEMZOXHXNV-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN CC#CCCNCc1cncc(Br)c1 ZINC000125540419 394844463 /nfs/dbraw/zinc/84/44/63/394844463.db2.gz QHBDVNYLTIQBIV-UHFFFAOYSA-N 0 3 253.143 2.347 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC000336407999 394852532 /nfs/dbraw/zinc/85/25/32/394852532.db2.gz SVNXHUVMJZVRCX-BETUJISGSA-N 0 3 297.468 2.172 20 30 CEEDHN C=C[C@@H](C)NC(=O)NCc1ccccc1OCCN(C)C ZINC000362379271 394858061 /nfs/dbraw/zinc/85/80/61/394858061.db2.gz KCFQGAKQKXLXHM-CYBMUJFWSA-N 0 3 291.395 2.001 20 30 CEEDHN C=CCN1CC[C@H](NC(C)(C)c2ccccc2)C1=O ZINC000282003574 394893601 /nfs/dbraw/zinc/89/36/01/394893601.db2.gz NRNQTTZYAPYTRP-AWEZNQCLSA-N 0 3 258.365 2.298 20 30 CEEDHN C=CCN1CC[C@@H](N2CC[C@@H](c3ccc(F)cc3)C2)C1=O ZINC000282017922 394897255 /nfs/dbraw/zinc/89/72/55/394897255.db2.gz OZLOMLJHVGUJAV-GDBMZVCRSA-N 0 3 288.366 2.402 20 30 CEEDHN C=CCN1CC[C@@H](N(C)[C@@H]2CCc3ccccc3C2)C1=O ZINC000282039497 394900888 /nfs/dbraw/zinc/90/08/88/394900888.db2.gz QVBROCYCJFYAMY-IAGOWNOFSA-N 0 3 284.403 2.263 20 30 CEEDHN C=C(CC)CN1[C@@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000338380052 394918396 /nfs/dbraw/zinc/91/83/96/394918396.db2.gz SFTRMNSNUUTWMZ-YIYPIFLZSA-N 0 3 267.369 2.136 20 30 CEEDHN C=CCOc1ccc(CN(C)CCOCCO)cc1Cl ZINC000282419822 394918843 /nfs/dbraw/zinc/91/88/43/394918843.db2.gz DRPVCICAJFEZOL-UHFFFAOYSA-N 0 3 299.798 2.346 20 30 CEEDHN C#CCNC(=O)[C@@H](C)[N@H+](CCCC)Cc1ccccc1[O-] ZINC000282400710 394919193 /nfs/dbraw/zinc/91/91/93/394919193.db2.gz HSHULZKNQRKPNK-CQSZACIVSA-N 0 3 288.391 2.132 20 30 CEEDHN C#CCNC(=O)[C@@H](C)[N@@H+](CCCC)Cc1ccccc1[O-] ZINC000282400710 394919196 /nfs/dbraw/zinc/91/91/96/394919196.db2.gz HSHULZKNQRKPNK-CQSZACIVSA-N 0 3 288.391 2.132 20 30 CEEDHN Cc1nn(-c2ccccn2)c(C)c1CNCCCC#N ZINC000338448634 394919725 /nfs/dbraw/zinc/91/97/25/394919725.db2.gz URVKQCLDECTZBP-UHFFFAOYSA-N 0 3 269.352 2.278 20 30 CEEDHN C#CC[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000366943679 394955537 /nfs/dbraw/zinc/95/55/37/394955537.db2.gz FWBMDHSYDSLNDN-NUEKZKHPSA-N 0 3 285.391 2.143 20 30 CEEDHN COC[C@H](NCCOCCC#N)c1ccc(F)cc1 ZINC000339077524 394940184 /nfs/dbraw/zinc/94/01/84/394940184.db2.gz RSLVRTMUNWUQNP-AWEZNQCLSA-N 0 3 266.316 2.033 20 30 CEEDHN C=CCNC(=O)CN[C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000284595531 394946466 /nfs/dbraw/zinc/94/64/66/394946466.db2.gz ZXTYHTZFCLUBHN-APHBMKBZSA-N 0 3 288.391 2.079 20 30 CEEDHN COC(=O)[C@]1(c2ccccc2)CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339210595 394953023 /nfs/dbraw/zinc/95/30/23/394953023.db2.gz NAWIMTBXGALTBQ-QGPMSJSTSA-N 0 3 298.386 2.495 20 30 CEEDHN CN(C(=O)c1ccc(C#N)o1)C(C)(C)CN1CCCC1 ZINC000416097200 395013564 /nfs/dbraw/zinc/01/35/64/395013564.db2.gz FLVZVKCTRZCCIC-UHFFFAOYSA-N 0 3 275.352 2.098 20 30 CEEDHN C#CC(C)(C)N(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000286129546 395014744 /nfs/dbraw/zinc/01/47/44/395014744.db2.gz MPKUXPPZHLQWKB-UHFFFAOYSA-N 0 3 292.335 2.326 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N(C)C(C)(C)CN1CCCC1 ZINC000416106519 395015360 /nfs/dbraw/zinc/01/53/60/395015360.db2.gz MUOVKNHJVFNNSN-UHFFFAOYSA-N 0 3 289.379 2.406 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1cc(C(=O)OC)cs1 ZINC000286309498 395019504 /nfs/dbraw/zinc/01/95/04/395019504.db2.gz XKNIUKWBWUBITQ-GXSJLCMTSA-N 0 3 269.366 2.122 20 30 CEEDHN C=CCN1CCC(NCc2c(OC)cccc2OC)CC1 ZINC000286440177 395022536 /nfs/dbraw/zinc/02/25/36/395022536.db2.gz JHBYAMBMHQSLLU-UHFFFAOYSA-N 0 3 290.407 2.444 20 30 CEEDHN C=CCCCN1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000286447135 395022644 /nfs/dbraw/zinc/02/26/44/395022644.db2.gz JPUIMKYYQQZAID-LLVKDONJSA-N 0 3 265.275 2.380 20 30 CEEDHN CN(C)Cc1cccc(C(=O)NC2(C#N)CCCC2)c1 ZINC000155769414 395030145 /nfs/dbraw/zinc/03/01/45/395030145.db2.gz REIDPDPWQDUJSY-UHFFFAOYSA-N 0 3 271.364 2.314 20 30 CEEDHN CCN1CC[C@H]2OCCN(CCCC(C)(C)C#N)[C@@H]2C1 ZINC000339389504 394958060 /nfs/dbraw/zinc/95/80/60/394958060.db2.gz CRUVDNBICQDKSX-HUUCEWRRSA-N 0 3 279.428 2.111 20 30 CEEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@@H](C)[C@H]1C ZINC000339581373 394964785 /nfs/dbraw/zinc/96/47/85/394964785.db2.gz KWYHICJORBIOKA-IIAWOOMASA-N 0 3 275.392 2.495 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](CC2CC2)C1 ZINC000339683585 394967277 /nfs/dbraw/zinc/96/72/77/394967277.db2.gz NQYRZJZRYSXXOD-ZFWWWQNUSA-N 0 3 277.412 2.117 20 30 CEEDHN C=C(C)COCCNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416175657 395026568 /nfs/dbraw/zinc/02/65/68/395026568.db2.gz IJACLSBBISSLBD-MRXNPFEDSA-N 0 3 290.407 2.388 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000339927758 394974758 /nfs/dbraw/zinc/97/47/58/394974758.db2.gz CGFCYZYMUPICEZ-HIFRSBDPSA-N 0 3 272.348 2.354 20 30 CEEDHN C=C(CNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21)c1ccccc1 ZINC000287939738 395050358 /nfs/dbraw/zinc/05/03/58/395050358.db2.gz FQPWDBOHBWSVLG-SJORKVTESA-N 0 3 299.418 2.435 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000346433254 395100111 /nfs/dbraw/zinc/10/01/11/395100111.db2.gz MKBCLSKZNBWQHJ-MGPQQGTHSA-N 0 3 277.412 2.305 20 30 CEEDHN CC(C)N(C)CC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416337968 395055343 /nfs/dbraw/zinc/05/53/43/395055343.db2.gz BOQKKGGNJLDCED-INIZCTEOSA-N 0 3 285.391 2.392 20 30 CEEDHN C[C@@H](CN(C)C)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425774574 395067480 /nfs/dbraw/zinc/06/74/80/395067480.db2.gz CEFALTNCIDEAFQ-STQMWFEESA-N 0 3 288.395 2.211 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000345648216 395071742 /nfs/dbraw/zinc/07/17/42/395071742.db2.gz MXWRDFQTLVSOCJ-NSHDSACASA-N 0 3 288.347 2.418 20 30 CEEDHN CCc1nc([C@H]2CCCN(CCCSCC#N)C2)no1 ZINC000374098612 395073212 /nfs/dbraw/zinc/07/32/12/395073212.db2.gz ZOHLYMXFASFJEX-LBPRGKRZSA-N 0 3 294.424 2.458 20 30 CEEDHN CC(C#N)C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000345770756 395076028 /nfs/dbraw/zinc/07/60/28/395076028.db2.gz VJTOGVBZAHZSGW-SNVBAGLBSA-N 0 3 277.393 2.230 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@]1(C)CCO[C@H]1C ZINC000494236370 395101911 /nfs/dbraw/zinc/10/19/11/395101911.db2.gz CSZSBYAKAQSIEC-XHDPSFHLSA-N 0 3 260.337 2.224 20 30 CEEDHN C=C[C@H](CO)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000289643046 395082619 /nfs/dbraw/zinc/08/26/19/395082619.db2.gz FUHUXBPJIPWTIO-MWLCHTKSSA-N 0 3 257.280 2.486 20 30 CEEDHN C#C[C@H](NCc1ccccc1OCCOC)C(C)C ZINC000289655309 395082783 /nfs/dbraw/zinc/08/27/83/395082783.db2.gz YFMXDTWFTOLCOZ-HNNXBMFYSA-N 0 3 261.365 2.459 20 30 CEEDHN C=CCCCN1[C@@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000374511192 395083399 /nfs/dbraw/zinc/08/33/99/395083399.db2.gz ATBHVFIHDRYRCL-YIYPIFLZSA-N 0 3 267.369 2.136 20 30 CEEDHN N#CC(C(=O)c1ccc2c(c1)CCCC2=O)c1ccncn1 ZINC000345993549 395084313 /nfs/dbraw/zinc/08/43/13/395084313.db2.gz OBJZVLAPCLKXJH-AWEZNQCLSA-N 0 3 291.310 2.486 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc(OC(C)C)c(OC)c1 ZINC000289780387 395086622 /nfs/dbraw/zinc/08/66/22/395086622.db2.gz JNESTOYFOTVRCH-ZDUSSCGKSA-N 0 3 265.353 2.119 20 30 CEEDHN C[C@H](NCC(C)(C)CCC#N)c1nnc2n1CCC2 ZINC000169095120 395089178 /nfs/dbraw/zinc/08/91/78/395089178.db2.gz YZKLZKGHXLZPKF-NSHDSACASA-N 0 3 261.373 2.205 20 30 CEEDHN Cc1cc(C)c(C#N)c(N2CC[C@@H]3CCN(C)[C@@H]3C2)n1 ZINC000375050600 395089889 /nfs/dbraw/zinc/08/98/89/395089889.db2.gz SCCSXZVUUFMJMO-DZGCQCFKSA-N 0 3 270.380 2.101 20 30 CEEDHN C=CCOCCCN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346242225 395092752 /nfs/dbraw/zinc/09/27/52/395092752.db2.gz RRYXIBHXRQDDSY-CYBMUJFWSA-N 0 3 277.368 2.329 20 30 CEEDHN C=CCCCC(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000427155714 395095336 /nfs/dbraw/zinc/09/53/36/395095336.db2.gz QXVPYLVQAZCRGE-MRXNPFEDSA-N 0 3 294.439 2.446 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccc(F)c2F)CC1 ZINC000171716383 395096879 /nfs/dbraw/zinc/09/68/79/395096879.db2.gz IXRJPPJAZMCNEN-UHFFFAOYSA-N 0 3 280.318 2.345 20 30 CEEDHN COc1ccccc1O[C@@H]1CCCN(C(=O)C(C)C#N)C1 ZINC000343108123 395032099 /nfs/dbraw/zinc/03/20/99/395032099.db2.gz YFPSZHCGZNEKLB-CHWSQXEVSA-N 0 3 288.347 2.225 20 30 CEEDHN CC#CCCN1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000156556470 395032551 /nfs/dbraw/zinc/03/25/51/395032551.db2.gz CXNJNHYEOSKQFL-OAHLLOKOSA-N 0 3 285.391 2.454 20 30 CEEDHN CC#CCCN1CCC(NC(=O)c2ccccc2F)CC1 ZINC000156538542 395032600 /nfs/dbraw/zinc/03/26/00/395032600.db2.gz NAQYQUZIPHSOSX-UHFFFAOYSA-N 0 3 288.366 2.433 20 30 CEEDHN CC(C)(C#N)CCN1CCN([C@H]2CCSC2)CC1 ZINC000372255065 395038056 /nfs/dbraw/zinc/03/80/56/395038056.db2.gz JRDOQXAPBWZEMF-ZDUSSCGKSA-N 0 3 267.442 2.049 20 30 CEEDHN C=C(C)CN1CCC(Nc2ccnc3c2cnn3C)CC1 ZINC000287493756 395041906 /nfs/dbraw/zinc/04/19/06/395041906.db2.gz UHJUBZHTRYZFMC-UHFFFAOYSA-N 0 3 285.395 2.421 20 30 CEEDHN C[C@@H](CN1CCCCCC1)NC(=O)c1ccc(C#N)o1 ZINC000347247099 395121206 /nfs/dbraw/zinc/12/12/06/395121206.db2.gz YCOVCRQSSVRNAJ-LBPRGKRZSA-N 0 3 275.352 2.146 20 30 CEEDHN CC#CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000376540294 395124250 /nfs/dbraw/zinc/12/42/50/395124250.db2.gz PEPIMACDHYDCEW-QGZVFWFLSA-N 0 3 299.418 2.221 20 30 CEEDHN N#CCSCCCN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000376666282 395127181 /nfs/dbraw/zinc/12/71/81/395127181.db2.gz ZVFSJEQMIXLEQE-NSHDSACASA-N 0 3 296.358 2.413 20 30 CEEDHN C=CCc1cc(CN(CC)C[C@@H](C)O)cc(OC)c1O ZINC000348708927 395149772 /nfs/dbraw/zinc/14/97/72/395149772.db2.gz AMLQVVRGJRKPLW-GFCCVEGCSA-N 0 3 279.380 2.332 20 30 CEEDHN CNC(=O)[C@H](C)CN(C)CC#Cc1ccc(Cl)cc1 ZINC000177367373 395150518 /nfs/dbraw/zinc/15/05/18/395150518.db2.gz HORKDFLQDMWVNN-GFCCVEGCSA-N 0 3 278.783 2.005 20 30 CEEDHN CC(C#N)C(=O)NCc1cccc(OC(C)(C)C)n1 ZINC000348865472 395153944 /nfs/dbraw/zinc/15/39/44/395153944.db2.gz INJRYNNSQNYIBY-SNVBAGLBSA-N 0 3 261.325 2.035 20 30 CEEDHN CCCN(CC#N)C(=O)CCN1CCc2ccccc2C1 ZINC000348908008 395155001 /nfs/dbraw/zinc/15/50/01/395155001.db2.gz FYXBQXIDGXXYKW-UHFFFAOYSA-N 0 3 285.391 2.197 20 30 CEEDHN CN(CCCNC(=O)C1CCC1)Cc1cccc(C#N)c1 ZINC000429560372 395158442 /nfs/dbraw/zinc/15/84/42/395158442.db2.gz YWVFTBGFUISQFQ-UHFFFAOYSA-N 0 3 285.391 2.296 20 30 CEEDHN COc1ccc(CN2CCCC[C@@H]2C2(O)CC2)cc1C#N ZINC000516629310 395180257 /nfs/dbraw/zinc/18/02/57/395180257.db2.gz SIMPNUIWEAOSLH-MRXNPFEDSA-N 0 3 286.375 2.446 20 30 CEEDHN C[C@H]1CCCN1C(=O)CCN(C)Cc1ccc(C#N)cc1 ZINC000438843743 395230297 /nfs/dbraw/zinc/23/02/97/395230297.db2.gz WJLORNFTUYOPFQ-AWEZNQCLSA-N 0 3 285.391 2.391 20 30 CEEDHN C=C(C)CCN1CCN(C(=O)C2CC2)CC1(C)C ZINC000351758782 395231768 /nfs/dbraw/zinc/23/17/68/395231768.db2.gz QQJHFNUQTQUJBS-UHFFFAOYSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCOCCN(C)CCOc1ccccc1F ZINC000293443255 395234166 /nfs/dbraw/zinc/23/41/66/395234166.db2.gz KDULHVCBOWQYEB-UHFFFAOYSA-N 0 3 253.317 2.339 20 30 CEEDHN CN1CC[C@@H](NCC2(C#N)CC2)[C@H]1c1ccccc1 ZINC000352114844 395244503 /nfs/dbraw/zinc/24/45/03/395244503.db2.gz DLGDAUDWCKWORP-HUUCEWRRSA-N 0 3 255.365 2.325 20 30 CEEDHN C=CCN(Cc1ccc(OCC(=O)OC)cc1)C1CC1 ZINC000350226806 395183755 /nfs/dbraw/zinc/18/37/55/395183755.db2.gz RLLUCSBICQJEJU-UHFFFAOYSA-N 0 3 275.348 2.389 20 30 CEEDHN CN1CC[C@]2(CCN(c3ncc(C#N)cc3Cl)C2)C1 ZINC000292152964 395186498 /nfs/dbraw/zinc/18/64/98/395186498.db2.gz CJTLKWKNWVDQSY-AWEZNQCLSA-N 0 3 276.771 2.139 20 30 CEEDHN N#CCCCN[C@H](CN1CCCC1=O)c1ccccc1 ZINC000179567919 395197064 /nfs/dbraw/zinc/19/70/64/395197064.db2.gz HMYZMEWXICDIOF-OAHLLOKOSA-N 0 3 271.364 2.243 20 30 CEEDHN CCCC[C@H](C)N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000352413868 395251891 /nfs/dbraw/zinc/25/18/91/395251891.db2.gz CFDPTPVPGSOTMI-WFASDCNBSA-N 0 3 265.401 2.305 20 30 CEEDHN CN(C)C1(CNC(=O)c2ccc(Cl)c(C#N)c2)CCC1 ZINC000527366817 395278085 /nfs/dbraw/zinc/27/80/85/395278085.db2.gz UXIUGUSSTDPEDI-UHFFFAOYSA-N 0 3 291.782 2.426 20 30 CEEDHN CC[C@@H]1[C@H](C)CCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000185646763 395280724 /nfs/dbraw/zinc/28/07/24/395280724.db2.gz QDTCXLBEJOLHLR-NFAWXSAZSA-N 0 3 265.401 2.161 20 30 CEEDHN C=CCN(CC1CCCCC1)[C@@H]1CCCNC1=O ZINC000411255605 395324880 /nfs/dbraw/zinc/32/48/80/395324880.db2.gz HCGHQHGAJNIUIF-CQSZACIVSA-N 0 3 250.386 2.333 20 30 CEEDHN C[C@@H](CCC#N)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000411264000 395324905 /nfs/dbraw/zinc/32/49/05/395324905.db2.gz UOGOTPALPFBDAV-UONOGXRCSA-N 0 3 263.385 2.013 20 30 CEEDHN C=CC[C@H](CO)CN[C@@H](CC)c1ccc(F)cn1 ZINC000353000135 395283687 /nfs/dbraw/zinc/28/36/87/395283687.db2.gz QKHAASAXQVSKQJ-AAEUAGOBSA-N 0 3 252.333 2.446 20 30 CEEDHN CC[C@@H]1CN(C(=O)C(C)C#N)CCN1Cc1ccccc1 ZINC000354202301 395320631 /nfs/dbraw/zinc/32/06/31/395320631.db2.gz FVRSZDPHUHVJAD-GOEBONIOSA-N 0 3 285.391 2.269 20 30 CEEDHN CC[C@H]1CN(C(=O)C(C)C#N)CCN1Cc1ccccc1 ZINC000354202303 395320773 /nfs/dbraw/zinc/32/07/73/395320773.db2.gz FVRSZDPHUHVJAD-ZBFHGGJFSA-N 0 3 285.391 2.269 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000352457524 395255075 /nfs/dbraw/zinc/25/50/75/395255075.db2.gz WFSPEDYRZJXYDD-DZGCQCFKSA-N 0 3 252.402 2.389 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc(OCc2ccncc2)cc1 ZINC000352455415 395256000 /nfs/dbraw/zinc/25/60/00/395256000.db2.gz YVGPPTOMDZIBEJ-INIZCTEOSA-N 0 3 284.359 2.297 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(C)c(F)c(C)c1 ZINC000293945156 395259179 /nfs/dbraw/zinc/25/91/79/395259179.db2.gz JNNPXGFETFXTCA-UHFFFAOYSA-N 0 3 276.355 2.127 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc2c(c1)nc(C1CC1)n2C ZINC000412332467 395354973 /nfs/dbraw/zinc/35/49/73/395354973.db2.gz PLATYBOIRPZQBL-SNVBAGLBSA-N 0 3 282.347 2.227 20 30 CEEDHN C=C[C@@](C)(O)CC(=O)Nc1ccc(CN(C)C)cc1F ZINC000412562610 395361032 /nfs/dbraw/zinc/36/10/32/395361032.db2.gz XGEQWQIKEQJRMJ-OAHLLOKOSA-N 0 3 280.343 2.153 20 30 CEEDHN C#CCCCC(=O)NCCCN(C)Cc1ccccc1 ZINC000192093515 395372124 /nfs/dbraw/zinc/37/21/24/395372124.db2.gz ZTXZGFZZVKMXPS-UHFFFAOYSA-N 0 3 272.392 2.428 20 30 CEEDHN C[C@@H](CCC#N)N1CCC[C@H](Cc2nccn2C)C1 ZINC000411427577 395328164 /nfs/dbraw/zinc/32/81/64/395328164.db2.gz OCZAGJLZHOPSTF-UONOGXRCSA-N 0 3 260.385 2.367 20 30 CEEDHN C[C@@H](CCC#N)N1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000411691182 395336366 /nfs/dbraw/zinc/33/63/66/395336366.db2.gz NBWZAWZHYNMCJG-RYUDHWBXSA-N 0 3 277.372 2.007 20 30 CEEDHN OC[C@@H](NCC#Cc1cccc(Cl)c1)[C@H]1CCCOC1 ZINC000411983737 395345344 /nfs/dbraw/zinc/34/53/44/395345344.db2.gz CBAZWKQFIWRKJU-GOEBONIOSA-N 0 3 293.794 2.069 20 30 CEEDHN C[C@H](O)CCCN1CCCN(c2ccccc2C#N)CC1 ZINC000354869544 395347529 /nfs/dbraw/zinc/34/75/29/395347529.db2.gz XJQRDJXLQRZQLK-HNNXBMFYSA-N 0 3 287.407 2.231 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccncc1F ZINC000449297250 395545773 /nfs/dbraw/zinc/54/57/73/395545773.db2.gz BWPPSDPZCZHNRD-JSGCOSHPSA-N 0 3 250.317 2.292 20 30 CEEDHN CN(C)CCN(C(=O)c1ccc(C#N)n1C)c1ccccc1 ZINC000448825753 395541796 /nfs/dbraw/zinc/54/17/96/395541796.db2.gz XNQZIINHANGPRG-UHFFFAOYSA-N 0 3 296.374 2.105 20 30 CEEDHN N#CCCC1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000567925401 395543022 /nfs/dbraw/zinc/54/30/22/395543022.db2.gz KWKBPXXEJNKNIU-MRXNPFEDSA-N 0 3 285.391 2.099 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@H]1CCN(C2CCCC2)C1 ZINC000568382249 395556818 /nfs/dbraw/zinc/55/68/18/395556818.db2.gz UQLNRDNMUVPLLA-KGLIPLIRSA-N 0 3 260.385 2.036 20 30 CEEDHN C=CCCCCCNC(=O)[C@@]1(N)C[C@@H](OCC)C1(C)C ZINC000570984266 395583965 /nfs/dbraw/zinc/58/39/65/395583965.db2.gz XTEMPLHWNLUYGS-CJNGLKHVSA-N 0 3 282.428 2.382 20 30 CEEDHN C=C(C)CN(CCCC(=O)NC)Cc1cnn(C(C)C)c1 ZINC000573861475 395621458 /nfs/dbraw/zinc/62/14/58/395621458.db2.gz YCAGPNHJGDETRQ-UHFFFAOYSA-N 0 3 292.427 2.368 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)(F)F ZINC000452865100 395627062 /nfs/dbraw/zinc/62/70/62/395627062.db2.gz MFDKEBYKLYVZNP-ZWNOBZJWSA-N 0 3 291.301 2.400 20 30 CEEDHN CNC(=O)C[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000453370252 395628015 /nfs/dbraw/zinc/62/80/15/395628015.db2.gz NFTCFQOYUOTNHC-IAQYHMDHSA-N 0 3 271.364 2.050 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2C[C@H]3OCCC[C@H]23)cc1F ZINC000453381292 395628086 /nfs/dbraw/zinc/62/80/86/395628086.db2.gz KTCXBOLJMPBQGN-BPLDGKMQSA-N 0 3 260.312 2.354 20 30 CEEDHN C[C@@H]1CCCN(CCNc2ncc3c(c2C#N)CCC3)C1 ZINC000574394483 395629092 /nfs/dbraw/zinc/62/90/92/395629092.db2.gz GIXYGVVCBNYXBS-CYBMUJFWSA-N 0 3 284.407 2.008 20 30 CEEDHN C[C@@H](CN(C)C)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000456053222 395632807 /nfs/dbraw/zinc/63/28/07/395632807.db2.gz QGAHEVAIQZUKDW-ZDUSSCGKSA-N 0 3 287.407 2.193 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N(C)[C@H]1CCN(C(C)C)C1)OCC ZINC000457089831 395634545 /nfs/dbraw/zinc/63/45/45/395634545.db2.gz LMXHRFVVHAKASJ-LSDHHAIUSA-N 0 3 282.428 2.299 20 30 CEEDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2cccc(C#N)c2)C12CCC2 ZINC000459739195 395666686 /nfs/dbraw/zinc/66/66/86/395666686.db2.gz ATTLZUJLCQRXNU-HUUCEWRRSA-N 0 3 299.374 2.044 20 30 CEEDHN CC[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000459784097 395666789 /nfs/dbraw/zinc/66/67/89/395666789.db2.gz WMQBVEGHKCZGIV-GLQYFDAESA-N 0 3 287.363 2.042 20 30 CEEDHN CCC[C@H](C)CN1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000471803599 395666931 /nfs/dbraw/zinc/66/69/31/395666931.db2.gz IKUROIAXYBGGLH-ZDUSSCGKSA-N 0 3 289.427 2.158 20 30 CEEDHN Cc1cc(CN2CCCC[C@H]2CC(N)=O)ccc1C#N ZINC000487905262 395667697 /nfs/dbraw/zinc/66/76/97/395667697.db2.gz ASKFTZAIKYWSFN-HNNXBMFYSA-N 0 3 271.364 2.097 20 30 CEEDHN COCCN(Cc1ccc(CC#N)cc1)[C@H]1CCO[C@H]1C ZINC000489439167 395668493 /nfs/dbraw/zinc/66/84/93/395668493.db2.gz QJQBYMKTQDKIEI-YOEHRIQHSA-N 0 3 288.391 2.378 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@H](CC)C(C)C ZINC000491631191 395670135 /nfs/dbraw/zinc/67/01/35/395670135.db2.gz NVHWCXCQQDCWQA-AWEZNQCLSA-N 0 3 252.402 2.130 20 30 CEEDHN C#C[C@H](CCC)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000491738536 395670548 /nfs/dbraw/zinc/67/05/48/395670548.db2.gz RGFYYVILOCNIFG-HIFRSBDPSA-N 0 3 262.397 2.312 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000493062444 395671288 /nfs/dbraw/zinc/67/12/88/395671288.db2.gz ZPPLUIQQEPHUHQ-YDZSZYSISA-N 0 3 283.375 2.124 20 30 CEEDHN C=CCC[C@H](O)CN[C@H](c1cccnc1)C(C)(C)CO ZINC000647953211 395782584 /nfs/dbraw/zinc/78/25/84/395782584.db2.gz YAYUNKWSVPUEKS-LSDHHAIUSA-N 0 3 278.396 2.058 20 30 CEEDHN C=C(C)[C@@H](CO)N(C)C[C@H]1CN(CC)c2ccccc2O1 ZINC000649233053 396097928 /nfs/dbraw/zinc/09/79/28/396097928.db2.gz JJJKTXJLFBWEBS-GOEBONIOSA-N 0 3 290.407 2.143 20 30 CEEDHN CCCCO[C@H]1C[C@@H](NCC#CCOC)C1(C)C ZINC000649580192 396198071 /nfs/dbraw/zinc/19/80/71/396198071.db2.gz BEFYCLHONPVTLE-KGLIPLIRSA-N 0 3 253.386 2.210 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC2(C[C@H]1C)CCOCC2 ZINC000646101759 396294056 /nfs/dbraw/zinc/29/40/56/396294056.db2.gz LMMLFFIUVRJZCM-OAHLLOKOSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCOCCN(C)Cc1ccc(O)c(OC)c1 ZINC000293226647 400323002 /nfs/dbraw/zinc/32/30/02/400323002.db2.gz VTORWAAKVDUKFR-UHFFFAOYSA-N 0 3 251.326 2.035 20 30 CEEDHN CC1(C)CN(c2nc(C(F)(F)F)ccc2C#N)CCN1 ZINC000212710071 400304611 /nfs/dbraw/zinc/30/46/11/400304611.db2.gz KHDWBWSHIPSWKZ-UHFFFAOYSA-N 0 3 284.285 2.160 20 30 CEEDHN C=C(C)[C@@H](CC(=O)NCCN1CCCC[C@@H]1C)OCC ZINC000339423060 400363629 /nfs/dbraw/zinc/36/36/29/400363629.db2.gz ICEDCTULADORGB-LSDHHAIUSA-N 0 3 282.428 2.348 20 30 CEEDHN C=CCc1cc(CN(C)[C@H](C)CCO)cc(OC)c1O ZINC000652048697 401442346 /nfs/dbraw/zinc/44/23/46/401442346.db2.gz SBHYUJPAIWDNRK-GFCCVEGCSA-N 0 3 279.380 2.332 20 30 CEEDHN N#Cc1nccnc1NC1CCN(Cc2cccs2)CC1 ZINC000360190751 155239301 /nfs/dbraw/zinc/23/93/01/155239301.db2.gz ZKEPQZIIBRASRA-UHFFFAOYSA-N 0 3 299.403 2.486 20 30 CEEDHN C[C@@H](C(=O)N(C)C[C@@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000360203025 155241772 /nfs/dbraw/zinc/24/17/72/155241772.db2.gz FUJCDYOBEBSNFP-GDBMZVCRSA-N 0 3 299.418 2.462 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCC(=O)NC1 ZINC000360654772 155346460 /nfs/dbraw/zinc/34/64/60/155346460.db2.gz ACIWLPXGHLWTIY-ZBFHGGJFSA-N 0 3 283.375 2.194 20 30 CEEDHN C[C@H](C(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1cccc(C#N)c1 ZINC000360768744 155366349 /nfs/dbraw/zinc/36/63/49/155366349.db2.gz OFXRXVWSKBRBPZ-JLJPHGGASA-N 0 3 297.402 2.214 20 30 CEEDHN C[C@@H](O)C[C@@H]1CCCN1Cc1ccc(C#N)c(F)c1 ZINC000192126667 153202662 /nfs/dbraw/zinc/20/26/62/153202662.db2.gz YFKYQIIWKVNDMI-RISCZKNCSA-N 0 3 262.328 2.433 20 30 CEEDHN N#Cc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c(Cl)c1 ZINC000220351195 153305000 /nfs/dbraw/zinc/30/50/00/153305000.db2.gz OMWJIIRZZMLWGF-NJZAAPMLSA-N 0 3 276.767 2.414 20 30 CEEDHN C[C@@H](CNCc1cnc2ccc(C#N)cn12)C(F)(F)F ZINC000359108412 154884926 /nfs/dbraw/zinc/88/49/26/154884926.db2.gz QLHQEQOBPCEBQQ-VIFPVBQESA-N 0 3 282.269 2.494 20 30 CEEDHN N#Cc1cccc(CN2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)c1 ZINC000363097283 155996257 /nfs/dbraw/zinc/99/62/57/155996257.db2.gz RGGKJPRBKVJGCU-PMPSAXMXSA-N 0 3 283.375 2.177 20 30 CEEDHN N#Cc1cnccc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000364317273 156065584 /nfs/dbraw/zinc/06/55/84/156065584.db2.gz WEUSYECTUNPLAV-KRWDZBQOSA-N 0 3 292.386 2.452 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1ccncc1C#N 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172057294 /nfs/dbraw/zinc/05/72/94/172057294.db2.gz LHYCWGZYXYAVSD-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CC(F)F ZINC000662842400 414771013 /nfs/dbraw/zinc/77/10/13/414771013.db2.gz NVHFZHBRGWCQTQ-MXWKQRLJSA-N 0 3 260.328 2.220 20 30 CEEDHN C=CCCNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000660341874 414780939 /nfs/dbraw/zinc/78/09/39/414780939.db2.gz HAQVHAYENOEGCI-QWHCGFSZSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000660702968 414940991 /nfs/dbraw/zinc/94/09/91/414940991.db2.gz NCCVJGZNTSJAFG-ZBFHGGJFSA-N 0 3 291.439 2.468 20 30 CEEDHN C=CCCn1cc(CNC[C@@H]2Cc3ccccc32)nn1 ZINC000657347004 414873425 /nfs/dbraw/zinc/87/34/25/414873425.db2.gz KYZQPEGLHUJADC-AWEZNQCLSA-N 0 3 268.364 2.284 20 30 CEEDHN C=CCCn1cc(CNC[C@H]2CC23CCSCC3)nn1 ZINC000657493542 414970691 /nfs/dbraw/zinc/97/06/91/414970691.db2.gz DPZXYPASUHSQRQ-CYBMUJFWSA-N 0 3 292.452 2.477 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H](F)[C@H](N)C2)cc1OC 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ZINC000045071958 175301982 /nfs/dbraw/zinc/30/19/82/175301982.db2.gz UWTHIAMDZJHSCL-LBPRGKRZSA-N 0 3 259.353 2.125 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCCN1CC ZINC000664213955 415228555 /nfs/dbraw/zinc/22/85/55/415228555.db2.gz UKNADCCYQUVMOK-QLFBSQMISA-N 0 3 277.412 2.363 20 30 CEEDHN COCC#CCN[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661837440 415491360 /nfs/dbraw/zinc/49/13/60/415491360.db2.gz BOESAOFHLJVVQZ-KGLIPLIRSA-N 0 3 265.397 2.352 20 30 CEEDHN C=CCC[C@H](O)CN1Cc2cnn(C)c2CC(C)(C)C1 ZINC000664874281 415509081 /nfs/dbraw/zinc/50/90/81/415509081.db2.gz JEXYLPSNJWPLCX-AWEZNQCLSA-N 0 3 277.412 2.132 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H]2C[C@H]2C1 ZINC000661972940 415550468 /nfs/dbraw/zinc/55/04/68/415550468.db2.gz MGXPJYPGQZWFRG-IHRRRGAJSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CNCCO1 ZINC000662249530 415711347 /nfs/dbraw/zinc/71/13/47/415711347.db2.gz WHXNGUHKHWQCCC-NSHDSACASA-N 0 3 286.828 2.378 20 30 CEEDHN C=CC1CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000662455594 415850381 /nfs/dbraw/zinc/85/03/81/415850381.db2.gz ZAXSJHPJRVZASE-UHFFFAOYSA-N 0 3 256.349 2.328 20 30 CEEDHN C=CCCOCC(=O)Nc1ccc(CN(C)C)cc1F ZINC000665643791 415798398 /nfs/dbraw/zinc/79/83/98/415798398.db2.gz UTQPNZQCUKUDDQ-UHFFFAOYSA-N 0 3 280.343 2.419 20 30 CEEDHN CCN(CCC#N)C(=O)CN(C)C1CCCCC1 ZINC000076426390 177024278 /nfs/dbraw/zinc/02/42/78/177024278.db2.gz OEMIWULRXNIYLB-UHFFFAOYSA-N 0 3 251.374 2.013 20 30 CEEDHN N#Cc1c(CN2CCN(CC3CC3)CC2)cn2ccccc12 ZINC000076771622 177086786 /nfs/dbraw/zinc/08/67/86/177086786.db2.gz FTGROLPPRNRGAQ-UHFFFAOYSA-N 0 3 294.402 2.339 20 30 CEEDHN CC(C#N)C(=O)NC1(c2ccc(F)cc2)CCOCC1 ZINC000334632310 225171913 /nfs/dbraw/zinc/17/19/13/225171913.db2.gz HLBSICJQRWRKQW-LLVKDONJSA-N 0 3 276.311 2.107 20 30 CEEDHN COc1ccc(Br)cc1CNC(=O)C(C)C#N ZINC000347030972 226021356 /nfs/dbraw/zinc/02/13/56/226021356.db2.gz CXAFCWPQFYRFKC-MRVPVSSYSA-N 0 3 297.152 2.234 20 30 CEEDHN CO[C@@H](CNC(=O)C(C)C#N)c1cccc(Cl)c1 ZINC000347760429 226378545 /nfs/dbraw/zinc/37/85/45/226378545.db2.gz YDTMZFCRHQZOCH-SKDRFNHKSA-N 0 3 266.728 2.303 20 30 CEEDHN COc1cc(C([O-])=C(C#N)c2ccncn2)ccc1F ZINC000354473991 227008015 /nfs/dbraw/zinc/00/80/15/227008015.db2.gz WVDQZDAVMSMQPD-SNVBAGLBSA-N 0 3 271.251 2.114 20 30 CEEDHN COc1cc(C(=O)C(C#N)c2ccncn2)ccc1F ZINC000354473991 227008019 /nfs/dbraw/zinc/00/80/19/227008019.db2.gz WVDQZDAVMSMQPD-SNVBAGLBSA-N 0 3 271.251 2.114 20 30 CEEDHN CC(C#N)C(=O)N1CCc2ccc(F)c(F)c2C1 ZINC000336530022 227095979 /nfs/dbraw/zinc/09/59/79/227095979.db2.gz ZGTXZULGQNLDDT-QMMMGPOBSA-N 0 3 250.248 2.009 20 30 CEEDHN CC(C#N)C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 ZINC000354997554 227297893 /nfs/dbraw/zinc/29/78/93/227297893.db2.gz SCYWMAPMUTYRRS-UNXYVOJBSA-N 0 3 280.368 2.163 20 30 CEEDHN CC(C#N)C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000334156377 227337778 /nfs/dbraw/zinc/33/77/78/227337778.db2.gz YGQXKUKTKOBULE-LLVKDONJSA-N 0 3 280.331 2.338 20 30 CEEDHN N#CCc1ccc(CN2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000335990755 228175463 /nfs/dbraw/zinc/17/54/63/228175463.db2.gz SUQGGLMRUMUHKR-JKSUJKDBSA-N 0 3 288.416 2.459 20 30 CEEDHN C[C@@H](C(=O)N1CCC(CC#N)CC1)N1CCCCCC1 ZINC000336034200 228180494 /nfs/dbraw/zinc/18/04/94/228180494.db2.gz BBHQURBAORRECA-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000665946713 419488724 /nfs/dbraw/zinc/48/87/24/419488724.db2.gz UPVKULYMTVDCQE-INIZCTEOSA-N 0 3 287.407 2.478 20 30 CEEDHN C=C[C@@](C)(O)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000665873060 419467006 /nfs/dbraw/zinc/46/70/06/419467006.db2.gz PLMDPWTWOOOYHR-NVXWUHKLSA-N 0 3 290.407 2.123 20 30 CEEDHN C=CCC[C@@H](NC[C@H]1CCCNC1=O)c1ccco1 ZINC000666186399 419572391 /nfs/dbraw/zinc/57/23/91/419572391.db2.gz RUGGBAFPCXKRPY-CHWSQXEVSA-N 0 3 262.353 2.403 20 30 CEEDHN CCC[C@H](C)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000187708627 260112030 /nfs/dbraw/zinc/11/20/30/260112030.db2.gz LFUUPZKGLPIKOE-ZDUSSCGKSA-N 0 3 258.369 2.264 20 30 CEEDHN C#CCCN(C)C[C@H](O)c1cccc(Br)c1 ZINC000298076365 260142630 /nfs/dbraw/zinc/14/26/30/260142630.db2.gz HHAACUKDQOMNGZ-ZDUSSCGKSA-N 0 3 282.181 2.438 20 30 CEEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCCC#N ZINC000310018973 260205320 /nfs/dbraw/zinc/20/53/20/260205320.db2.gz QADAZABOVXHWNO-VXGBXAGGSA-N 0 3 267.373 2.135 20 30 CEEDHN CC(C)(C#N)CCN1CCC(c2nnc3n2CCC3)CC1 ZINC000363466956 260263238 /nfs/dbraw/zinc/26/32/38/260263238.db2.gz HYTHQDDEHUHJOT-UHFFFAOYSA-N 0 3 287.411 2.344 20 30 CEEDHN CC1(C)[C@H](NC2CC(C#N)(c3ccccc3)C2)C[C@@H]1O ZINC000128282439 260372919 /nfs/dbraw/zinc/37/29/19/260372919.db2.gz CNSAWTBALIZGAL-DGNOSDGRSA-N 0 3 270.376 2.359 20 30 CEEDHN C=CCCC(=O)N(C1CC1)C1CCN(CC)CC1 ZINC000363648545 261324603 /nfs/dbraw/zinc/32/46/03/261324603.db2.gz LLOIBLCVXPRANU-UHFFFAOYSA-N 0 3 250.386 2.428 20 30 CEEDHN C[C@@H]1CCN(C)CCN1c1ccc(Cl)c(C#N)n1 ZINC000486933639 269854667 /nfs/dbraw/zinc/85/46/67/269854667.db2.gz GARKVBKNUQBXKB-SNVBAGLBSA-N 0 3 264.760 2.137 20 30 CEEDHN NC(=NOCCN1CCCCC1)c1ccc(F)c(F)c1 ZINC000190091581 262179127 /nfs/dbraw/zinc/17/91/27/262179127.db2.gz UIMLZRLIFLWDLS-UHFFFAOYSA-N 0 3 283.322 2.088 20 30 CEEDHN C=CC[C@H](CO)NCc1cc(Cl)c(OC)c(OC)c1 ZINC000184287487 262276764 /nfs/dbraw/zinc/27/67/64/262276764.db2.gz SCZKLOZWYAUJLK-LLVKDONJSA-N 0 3 285.771 2.384 20 30 CEEDHN C[C@H](CN1CCCCCC1)NC(=O)C1(C#N)CCCC1 ZINC000186284148 262313338 /nfs/dbraw/zinc/31/33/38/262313338.db2.gz GOQBSZONKLSEPB-CQSZACIVSA-N 0 3 277.412 2.451 20 30 CEEDHN CC(C)(C#N)CCCCN1CC[C@@H](n2cncn2)C1 ZINC000365633655 262377232 /nfs/dbraw/zinc/37/72/32/262377232.db2.gz LJYQPEAUZRYKBG-CYBMUJFWSA-N 0 3 261.373 2.245 20 30 CEEDHN Cc1c(Cl)cnc(N2C[C@H]3CCN(C)[C@H]3C2)c1C#N ZINC000450779967 269905294 /nfs/dbraw/zinc/90/52/94/269905294.db2.gz OXYCKHSVFHZOMM-MFKMUULPSA-N 0 3 276.771 2.055 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(CC#N)cc3)[C@@H]2C1 ZINC000272287826 263003155 /nfs/dbraw/zinc/00/31/55/263003155.db2.gz NRLVYFAKCKDPCG-GOEBONIOSA-N 0 3 298.390 2.311 20 30 CEEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000274846587 263031088 /nfs/dbraw/zinc/03/10/88/263031088.db2.gz VBTRUDAPIGLPAK-LBPRGKRZSA-N 0 3 291.399 2.210 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000278747477 263050376 /nfs/dbraw/zinc/05/03/76/263050376.db2.gz NPNUILURPCKHDU-IKGGRYGDSA-N 0 3 297.402 2.459 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCCC2)cc1 ZINC000279360542 263055197 /nfs/dbraw/zinc/05/51/97/263055197.db2.gz KKABHUGKTXCOFL-CQSZACIVSA-N 0 3 267.332 2.299 20 30 CEEDHN CCN(CC(F)F)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280185966 263059547 /nfs/dbraw/zinc/05/95/47/263059547.db2.gz YOGBIZJQPKSVKU-ZDUSSCGKSA-N 0 3 291.301 2.354 20 30 CEEDHN CN1CC[C@@H](NC(=O)CCCC#N)[C@H]1c1ccccc1 ZINC000291922883 263126618 /nfs/dbraw/zinc/12/66/18/263126618.db2.gz NOUCAGHDRWBNEO-GDBMZVCRSA-N 0 3 271.364 2.242 20 30 CEEDHN CN(CCC#N)C(=O)CCNC(C)(C)c1ccccc1F ZINC000292216069 263129666 /nfs/dbraw/zinc/12/96/66/263129666.db2.gz UPLURKLXRQDPFD-UHFFFAOYSA-N 0 3 291.370 2.413 20 30 CEEDHN COc1ccc(C[C@H](C)CNC(=O)C(C)C#N)cc1 ZINC000340428641 263141159 /nfs/dbraw/zinc/14/11/59/263141159.db2.gz XKLQVLXAWOCAFK-NWDGAFQWSA-N 0 3 260.337 2.150 20 30 CEEDHN C[C@@H](C#N)N(C)C(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000294482661 263162746 /nfs/dbraw/zinc/16/27/46/263162746.db2.gz XIIBAPBQNKPDAF-HOCLYGCPSA-N 0 3 285.391 2.269 20 30 CEEDHN CN(Cc1ccc(OCC#N)cc1)CC(C)(C)CO ZINC000295157159 263173487 /nfs/dbraw/zinc/17/34/87/263173487.db2.gz DWOOHUOGFRNYFP-UHFFFAOYSA-N 0 3 262.353 2.039 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@](CC)(CO)C1 ZINC000187543094 263263007 /nfs/dbraw/zinc/26/30/07/263263007.db2.gz RGSVIRXMXWTAAC-DOTOQJQBSA-N 0 3 296.455 2.284 20 30 CEEDHN C=C(C)CNCc1ccccc1OCC(=O)NCC1CC1 ZINC000119657885 263276249 /nfs/dbraw/zinc/27/62/49/263276249.db2.gz LRCGJIOOCYCSIS-UHFFFAOYSA-N 0 3 288.391 2.257 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC[C@@H]2F)cc1 ZINC000340818349 263307185 /nfs/dbraw/zinc/30/71/85/263307185.db2.gz GZURIYFKUUXTOD-QLFBSQMISA-N 0 3 285.322 2.247 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](NCc1ccccc1)c1ccco1 ZINC000341124342 263323297 /nfs/dbraw/zinc/32/32/97/263323297.db2.gz VMSMXRXAFQMVKS-HIFRSBDPSA-N 0 3 297.358 2.386 20 30 CEEDHN C=C[C@@H](C)NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000341515450 263340624 /nfs/dbraw/zinc/34/06/24/263340624.db2.gz VWUBVPHVYJZKIU-ZIAGYGMSSA-N 0 3 275.396 2.381 20 30 CEEDHN C=CC[C@H](CO)CN[C@H](COC)c1ccc(F)c(F)c1 ZINC000341883497 263362828 /nfs/dbraw/zinc/36/28/28/263362828.db2.gz JEQCNZYNZXESOX-XHDPSFHLSA-N 0 3 285.334 2.427 20 30 CEEDHN C=CCCCCCN(C)C[C@@H]1CCCS(=O)(=O)C1 ZINC000341896964 263366979 /nfs/dbraw/zinc/36/69/79/263366979.db2.gz POAXYRAJEYBMJA-AWEZNQCLSA-N 0 3 273.442 2.489 20 30 CEEDHN COCC1(C#N)CCN(CCOC(C)(C)C)CC1 ZINC000341974253 263372951 /nfs/dbraw/zinc/37/29/51/263372951.db2.gz IAEIWPCQFFAFCM-UHFFFAOYSA-N 0 3 254.374 2.054 20 30 CEEDHN COCC1(C#N)CCN(CCSC(C)C)CC1 ZINC000342000246 263375400 /nfs/dbraw/zinc/37/54/00/263375400.db2.gz VWYJKMXNLZDIKR-UHFFFAOYSA-N 0 3 256.415 2.380 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000342103550 263387640 /nfs/dbraw/zinc/38/76/40/263387640.db2.gz MWGPBTCPQODWTR-OCCSQVGLSA-N 0 3 285.457 2.078 20 30 CEEDHN C=CCCN(C)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000342184861 263395388 /nfs/dbraw/zinc/39/53/88/263395388.db2.gz GLMNCQIJMZWLCY-UONOGXRCSA-N 0 3 267.417 2.324 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1coc(CC)n1 ZINC000330679441 264002636 /nfs/dbraw/zinc/00/26/36/264002636.db2.gz XQQPJEHIFBJCJC-NSHDSACASA-N 0 3 265.357 2.416 20 30 CEEDHN CNC(=O)c1cccc(CN[C@@H]2CCC[C@@]2(C)CO)c1 ZINC000331150652 264139476 /nfs/dbraw/zinc/13/94/76/264139476.db2.gz IJEFZLXFHCISHJ-ZBFHGGJFSA-N 0 3 276.380 2.262 20 30 CEEDHN CCc1occc1C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000331221306 264166483 /nfs/dbraw/zinc/16/64/83/264166483.db2.gz JXNNPXRPVXAQGW-ZDUSSCGKSA-N 0 3 294.395 2.239 20 30 CEEDHN CCNC(=O)NC(=O)[C@H](C)N(C)C1CCC(CC)CC1 ZINC000331330131 264192189 /nfs/dbraw/zinc/19/21/89/264192189.db2.gz QRQVXIVNXQMJLY-HIFPTAJRSA-N 0 3 283.416 2.326 20 30 CEEDHN C=C[C@@H](C)NC(=O)NCCCN(C)Cc1ccccc1 ZINC000128554497 264290596 /nfs/dbraw/zinc/29/05/96/264290596.db2.gz XRFFLCRVSXVDPI-CQSZACIVSA-N 0 3 275.396 2.382 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)N(C)C(C)C ZINC000285215519 264550727 /nfs/dbraw/zinc/55/07/27/264550727.db2.gz UKYBMCSBHNFJKE-RDJZCZTQSA-N 0 3 286.419 2.466 20 30 CEEDHN C#CCNC(=O)CC[N@@H+](CCCC)Cc1ccccc1[O-] ZINC000294168679 265001623 /nfs/dbraw/zinc/00/16/23/265001623.db2.gz PTLOQPSAVZZHFI-UHFFFAOYSA-N 0 3 288.391 2.134 20 30 CEEDHN C#CCNC(=O)CC[N@H+](CCCC)Cc1ccccc1[O-] ZINC000294168679 265001626 /nfs/dbraw/zinc/00/16/26/265001626.db2.gz PTLOQPSAVZZHFI-UHFFFAOYSA-N 0 3 288.391 2.134 20 30 CEEDHN CC1(C#N)CCN(CCN2CCC(C)(C#N)CC2)CC1 ZINC000356442738 266114629 /nfs/dbraw/zinc/11/46/29/266114629.db2.gz BRTWBQANGNFSSB-UHFFFAOYSA-N 0 3 274.412 2.238 20 30 CEEDHN CC[C@@]1(CNC(=O)C(C)C#N)OCCc2ccccc21 ZINC000356686414 266159619 /nfs/dbraw/zinc/15/96/19/266159619.db2.gz UXGCIAZSDNIFNT-LRDDRELGSA-N 0 3 272.348 2.140 20 30 CEEDHN C=CCCC1(C(=O)N[C@@H]2CCCN(C)[C@H]2C)CC1 ZINC000356731090 266166185 /nfs/dbraw/zinc/16/61/85/266166185.db2.gz JTASWTKSDDNRKO-QWHCGFSZSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](C)C2(CCC2)C1 ZINC000357029655 266234949 /nfs/dbraw/zinc/23/49/49/266234949.db2.gz WBCYPWIIMWOXNI-QWHCGFSZSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)[C@H](C)C1CCC1 ZINC000357035665 266237196 /nfs/dbraw/zinc/23/71/96/266237196.db2.gz KAOBCPWXKVLXKC-CYBMUJFWSA-N 0 3 250.386 2.307 20 30 CEEDHN COC(=O)C[C@@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000357601795 266333678 /nfs/dbraw/zinc/33/36/78/266333678.db2.gz RWTVRRNLICUPAS-JOYOIKCWSA-N 0 3 294.738 2.220 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000357740640 266354260 /nfs/dbraw/zinc/35/42/60/266354260.db2.gz ADJSKDCBXSGMHH-FOCJUVANSA-N 0 3 277.412 2.017 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000357785292 266361882 /nfs/dbraw/zinc/36/18/82/266361882.db2.gz BIPKYHIFVSJIIY-MEBBXXQBSA-N 0 3 286.331 2.185 20 30 CEEDHN C=C[C@@H](C)NC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000362675376 267033751 /nfs/dbraw/zinc/03/37/51/267033751.db2.gz UMKFXEWMVQXPSX-LLVKDONJSA-N 0 3 291.399 2.154 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(CC1CC1)CC1CC1 ZINC000115564671 267099298 /nfs/dbraw/zinc/09/92/98/267099298.db2.gz PPXSTANKRLDLEY-MRXNPFEDSA-N 0 3 277.412 2.163 20 30 CEEDHN CCOC(=O)N1CC[C@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000495997296 267124525 /nfs/dbraw/zinc/12/45/25/267124525.db2.gz DBMLRMRFVQOARE-HOCLYGCPSA-N 0 3 299.374 2.366 20 30 CEEDHN CCO[C@H]1COCC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000439446789 267155953 /nfs/dbraw/zinc/15/59/53/267155953.db2.gz XSXXSIHTSZFYLE-GJZGRUSLSA-N 0 3 294.782 2.495 20 30 CEEDHN CC[C@@H](NCc1ccc(C#N)c(C)c1)[C@@H](O)C(F)F ZINC000449424425 267196434 /nfs/dbraw/zinc/19/64/34/267196434.db2.gz PVMDEVKLVCUMSQ-CHWSQXEVSA-N 0 3 268.307 2.361 20 30 CEEDHN CC[C@H](NC[C@H]1COCCO1)c1ccc(C#N)cc1 ZINC000447529354 267221928 /nfs/dbraw/zinc/22/19/28/267221928.db2.gz LTVYYIANGCYESM-GJZGRUSLSA-N 0 3 260.337 2.014 20 30 CEEDHN C#CCCCCC(=O)N1CCCC12CCN(C)CC2 ZINC000369744035 267263421 /nfs/dbraw/zinc/26/34/21/267263421.db2.gz CDYNKKXNKQUJEX-UHFFFAOYSA-N 0 3 262.397 2.267 20 30 CEEDHN CC#CCCN1C[C@H](CC)O[C@@]2(CCCOC2)C1 ZINC000369803473 267267555 /nfs/dbraw/zinc/26/75/55/267267555.db2.gz BBXYWSNNEHPQDC-GJZGRUSLSA-N 0 3 251.370 2.060 20 30 CEEDHN C=C[C@H](C)N[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000119336104 267322818 /nfs/dbraw/zinc/32/28/18/267322818.db2.gz AHWHPQOZRZJUNW-QWRGUYRKSA-N 0 3 268.382 2.283 20 30 CEEDHN CCn1cnnc1[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000120027093 267353536 /nfs/dbraw/zinc/35/35/36/267353536.db2.gz FIZKFXKRTASVTR-CYBMUJFWSA-N 0 3 275.400 2.417 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC3CCC2CC3)CC1 ZINC000371393751 267399527 /nfs/dbraw/zinc/39/95/27/267399527.db2.gz SIVPWCMEOODZSJ-UHFFFAOYSA-N 0 3 277.412 2.221 20 30 CEEDHN C[C@@H]1C[C@H](N(C)c2ncc3c(c2C#N)CCC3)CCN1C ZINC000425229072 267785464 /nfs/dbraw/zinc/78/54/64/267785464.db2.gz KXJZUQIXAVHUJJ-TZMCWYRMSA-N 0 3 284.407 2.361 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNc1cncc(C#N)n1 ZINC000420596018 267865394 /nfs/dbraw/zinc/86/53/94/267865394.db2.gz GSNQJPVXDVEGNN-RYUDHWBXSA-N 0 3 259.357 2.023 20 30 CEEDHN Cc1cc(CNc2cccc(N(C)C)n2)ccc1C#N ZINC000443998608 267995439 /nfs/dbraw/zinc/99/54/39/267995439.db2.gz VPDPMAYORWCPND-UHFFFAOYSA-N 0 3 266.348 2.362 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN[C@@H]2CCC23CCCC3)cc1 ZINC000451451887 268226644 /nfs/dbraw/zinc/22/66/44/268226644.db2.gz BREQCZANDJUQDT-MRXNPFEDSA-N 0 3 297.402 2.487 20 30 CEEDHN C[C@@H](NCc1ccc(C#N)s1)C(C)(C)n1cncn1 ZINC000421866703 270674667 /nfs/dbraw/zinc/67/46/67/270674667.db2.gz BLFFYBSLIICMLW-SNVBAGLBSA-N 0 3 275.381 2.125 20 30 CEEDHN CCN1CCC(Nc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425206033 271139365 /nfs/dbraw/zinc/13/93/65/271139365.db2.gz XCEPMONWIPFOLT-UHFFFAOYSA-N 0 3 274.324 2.363 20 30 CEEDHN CN(CCN1CCCC1)Cc1cccc(F)c1C#N ZINC000428237172 271248148 /nfs/dbraw/zinc/24/81/48/271248148.db2.gz AIWWEQJRMURDOX-UHFFFAOYSA-N 0 3 261.344 2.225 20 30 CEEDHN CCN1CCN(Cc2cccc(F)c2C#N)[C@@H](C)C1 ZINC000428938406 271300376 /nfs/dbraw/zinc/30/03/76/271300376.db2.gz JAEHFHCKNQLTJN-LBPRGKRZSA-N 0 3 261.344 2.223 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1C[C@H](C)n2ccnc21 ZINC000296376591 275419411 /nfs/dbraw/zinc/41/94/11/275419411.db2.gz IXNRORWKGASOPH-CRWXNKLISA-N 0 3 261.369 2.460 20 30 CEEDHN CC(C)[C@H]1CCCCN1CC(=O)NC1(C#N)CCC1 ZINC000347034201 276025845 /nfs/dbraw/zinc/02/58/45/276025845.db2.gz OPRANRRMFSHWCR-CYBMUJFWSA-N 0 3 263.385 2.059 20 30 CEEDHN CC(C)(C)[C@@H]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000344148982 277237708 /nfs/dbraw/zinc/23/77/08/277237708.db2.gz JXXGOQCJCYDFEP-CABCVRRESA-N 0 3 285.391 2.453 20 30 CEEDHN CSC[C@@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000187768765 278134349 /nfs/dbraw/zinc/13/43/49/278134349.db2.gz IKFGAZIGNGCYKY-HNNXBMFYSA-N 0 3 276.405 2.247 20 30 CEEDHN C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(C#N)cc1 ZINC000363575457 278373439 /nfs/dbraw/zinc/37/34/39/278373439.db2.gz CRMKCLUUGVPEKJ-CZUORRHYSA-N 0 3 295.390 2.221 20 30 CEEDHN CC1CCN(CCNC(=O)N2CCC(C)(C#N)CC2)CC1 ZINC000336125539 278543426 /nfs/dbraw/zinc/54/34/26/278543426.db2.gz QWBMNEPHZJYNGX-UHFFFAOYSA-N 0 3 292.427 2.054 20 30 CEEDHN CCN(CCC#N)C(=O)CN1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000355788330 279172492 /nfs/dbraw/zinc/17/24/92/279172492.db2.gz WHMBYGVDXDHZAS-MCIONIFRSA-N 0 3 265.401 2.115 20 30 CEEDHN C[C@H](C(=O)N(C)C[C@@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000360203026 279184369 /nfs/dbraw/zinc/18/43/69/279184369.db2.gz FUJCDYOBEBSNFP-GOEBONIOSA-N 0 3 299.418 2.462 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCCC[C@H](C)C1 ZINC000336052669 279218594 /nfs/dbraw/zinc/21/85/94/279218594.db2.gz XEUPMAWBHFYGTD-QWHCGFSZSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@H](C(=O)N[C@]1(C#N)CC1(C)C)N1CCCCCC1 ZINC000335183847 279234530 /nfs/dbraw/zinc/23/45/30/279234530.db2.gz QQQUPPSLTNMKCB-DOMZBBRYSA-N 0 3 263.385 2.059 20 30 CEEDHN CCn1cc([C@H]2OCCC[C@@H]2N[C@@H]2CC[C@@H](C#N)C2)cn1 ZINC000328601985 288710223 /nfs/dbraw/zinc/71/02/23/288710223.db2.gz GLFZBEAASKSFEK-DMRZNYOFSA-N 0 3 288.395 2.405 20 30 CEEDHN N#Cc1ccc2ncc(CNC[C@H]3CCCS3)n2c1 ZINC000152583042 289093518 /nfs/dbraw/zinc/09/35/18/289093518.db2.gz SGEDOFWGTQKGOG-CYBMUJFWSA-N 0 3 272.377 2.191 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)s1)C[C@H]1CCCO1 ZINC000349065152 289145056 /nfs/dbraw/zinc/14/50/56/289145056.db2.gz XVUKEAJDAYVDNN-CYBMUJFWSA-N 0 3 293.436 2.162 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000289788342 290221164 /nfs/dbraw/zinc/22/11/64/290221164.db2.gz MDKDNSVQYBFFON-IIDMSEBBSA-N 0 3 299.418 2.414 20 30 CEEDHN CN(C)[C@H](CNc1ccncc1C#N)c1ccsc1 ZINC000548480056 298413935 /nfs/dbraw/zinc/41/39/35/298413935.db2.gz RRXNJMRMYBRMRZ-CQSZACIVSA-N 0 3 272.377 2.151 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H]2C2CCOCC2)nc1 ZINC000566982416 299033599 /nfs/dbraw/zinc/03/35/99/299033599.db2.gz VTBYGDIKNHXJIU-MRXNPFEDSA-N 0 3 271.364 2.344 20 30 CEEDHN CC[C@H](NCC(=O)Nc1sccc1C#N)[C@H]1CCCO1 ZINC000182334420 312815906 /nfs/dbraw/zinc/81/59/06/312815906.db2.gz PCKAUSINUOKSJJ-NWDGAFQWSA-N 0 3 293.392 2.105 20 30 CEEDHN N#Cc1ccsc1N1CC[C@H](NC2(C3CC3)CC2)C1=O ZINC000569809434 314015920 /nfs/dbraw/zinc/01/59/20/314015920.db2.gz MKNGUTQKFUEJQX-LBPRGKRZSA-N 0 3 287.388 2.257 20 30 CEEDHN CC1(C)CC[C@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000576357881 314268339 /nfs/dbraw/zinc/26/83/39/314268339.db2.gz UWXNUFIBXXBHIT-CYBMUJFWSA-N 0 3 257.337 2.275 20 30 CEEDHN Fc1ccc(C#CCN[C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000364781775 327890637 /nfs/dbraw/zinc/89/06/37/327890637.db2.gz HHZWXPIXPRMUIQ-JKSUJKDBSA-N 0 3 259.324 2.334 20 30 CEEDHN N#CC1(CCCN[C@@H](CO)c2ccsc2)CCOCC1 ZINC000337214394 327951464 /nfs/dbraw/zinc/95/14/64/327951464.db2.gz XKSCOADRZRYUCJ-AWEZNQCLSA-N 0 3 294.420 2.472 20 30 CEEDHN N#C[C@H]1N(CCN2CCCCC2)CCC[C@]12CCCCO2 ZINC000366101304 327986435 /nfs/dbraw/zinc/98/64/35/327986435.db2.gz ZYVJSIJQWWKYQE-IAGOWNOFSA-N 0 3 291.439 2.400 20 30 CEEDHN CC1CC(C#N)(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000531554594 328017017 /nfs/dbraw/zinc/01/70/17/328017017.db2.gz HTSNVYUOCJCCML-GULBITTBSA-N 0 3 285.391 2.345 20 30 CEEDHN N#CC1(CN[C@H](C2CCOCC2)C2(CO)CCC2)CCC1 ZINC000563339573 328054802 /nfs/dbraw/zinc/05/48/02/328054802.db2.gz XRYAFMHLNSCVQV-OAHLLOKOSA-N 0 3 292.423 2.228 20 30 CEEDHN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)CN(C)C ZINC000413542335 328149051 /nfs/dbraw/zinc/14/90/51/328149051.db2.gz NRVYLVFHXABMSN-GOEBONIOSA-N 0 3 289.423 2.423 20 30 CEEDHN CN(C[C@@H]1COc2ccccc2O1)[C@@H]1CC[C@H](C#N)C1 ZINC000280997741 328237772 /nfs/dbraw/zinc/23/77/72/328237772.db2.gz MHYPAJUCNCTHFP-BFHYXJOUSA-N 0 3 272.348 2.450 20 30 CEEDHN C=CCOc1ccccc1CNC[C@@H](O)COC(C)C ZINC000582840593 329276569 /nfs/dbraw/zinc/27/65/69/329276569.db2.gz COWQTAOAPYMYGC-OAHLLOKOSA-N 0 3 279.380 2.127 20 30 CEEDHN Cc1cc(NC[C@H]2N(C)CCCC2(C)C)c(C#N)cn1 ZINC000581067782 322366178 /nfs/dbraw/zinc/36/61/78/322366178.db2.gz NEYXSNTZUCDCTR-OAHLLOKOSA-N 0 3 272.396 2.216 20 30 CEEDHN N#CCC[C@@H](C#N)CNCC[C@H]1COc2ccccc2O1 ZINC000582156731 328497491 /nfs/dbraw/zinc/49/74/91/328497491.db2.gz WECGDXIKVVYNGH-KBPBESRZSA-N 0 3 285.347 2.250 20 30 CEEDHN C#CCC(CC#C)C(=O)N(CCC)CCN1CCCCC1 ZINC000290729906 328531057 /nfs/dbraw/zinc/53/10/57/328531057.db2.gz YFTSCNQIJVHOCX-UHFFFAOYSA-N 0 3 288.435 2.374 20 30 CEEDHN C#CCN(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000292434891 328537282 /nfs/dbraw/zinc/53/72/82/328537282.db2.gz NMHKIQMTHRQKTC-CYBMUJFWSA-N 0 3 291.420 2.160 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H]1C[C@H](OCCCC)C1(C)C ZINC000347707547 328576749 /nfs/dbraw/zinc/57/67/49/328576749.db2.gz QHNVIAKMBKSNAY-IHRRRGAJSA-N 0 3 282.428 2.251 20 30 CEEDHN CCc1nnc([C@H](C)[NH2+]C2CCC(C)(C#N)CC2)[n-]1 ZINC000449200824 327130572 /nfs/dbraw/zinc/13/05/72/327130572.db2.gz FPPSCSDLKUDCHX-IFQILLTASA-N 0 3 261.373 2.490 20 30 CEEDHN CCc1nnc([C@H](C)NC2CCC(C)(C#N)CC2)[nH]1 ZINC000449200824 327130573 /nfs/dbraw/zinc/13/05/73/327130573.db2.gz FPPSCSDLKUDCHX-IFQILLTASA-N 0 3 261.373 2.490 20 30 CEEDHN CC[C@@H]1CN(C)CCN1CCCC1(C#N)CCOCC1 ZINC000569421780 327175247 /nfs/dbraw/zinc/17/52/47/327175247.db2.gz QFSCJNZBUUJBLX-OAHLLOKOSA-N 0 3 279.428 2.113 20 30 CEEDHN COCC(=O)Nc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000559782688 327260788 /nfs/dbraw/zinc/26/07/88/327260788.db2.gz YGOULRZMQBTKIM-GXTWGEPZSA-N 0 3 287.363 2.053 20 30 CEEDHN C=CCCCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000560186320 327289009 /nfs/dbraw/zinc/28/90/09/327289009.db2.gz JSQGBHGXIQSNOT-UHFFFAOYSA-N 0 3 270.380 2.432 20 30 CEEDHN C[C@@H]1CSC[C@@H]1NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000560487987 327314243 /nfs/dbraw/zinc/31/42/43/327314243.db2.gz FHCKFOJPIBAQHI-OLZOCXBDSA-N 0 3 295.452 2.012 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@H](C)C(C)C)CC1 ZINC000171715310 329078900 /nfs/dbraw/zinc/07/89/00/329078900.db2.gz HIAGLPGAAOYMAG-ZDUSSCGKSA-N 0 3 252.402 2.435 20 30 CEEDHN C#CCOc1ccc(CN[C@@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000172068691 329080587 /nfs/dbraw/zinc/08/05/87/329080587.db2.gz AZHFYNBBHPGPIG-RTBURBONSA-N 0 3 293.366 2.447 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCC(C(C)(C)C)CC1 ZINC000172032256 329083025 /nfs/dbraw/zinc/08/30/25/329083025.db2.gz YRWBEJCTGRUPMU-GFCCVEGCSA-N 0 3 252.402 2.435 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](C)[C@H]1C ZINC000172860542 329139369 /nfs/dbraw/zinc/13/93/69/329139369.db2.gz AAHOKCLCWPAUHJ-UONOGXRCSA-N 0 3 250.386 2.307 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2C)CC1 ZINC000176498094 329176021 /nfs/dbraw/zinc/17/60/21/329176021.db2.gz GPRSQVXMTUHPPA-ZDUSSCGKSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC3(CCC3)C2)CC1 ZINC000176981867 329180338 /nfs/dbraw/zinc/18/03/38/329180338.db2.gz WCIDZLJXVHDRFI-UHFFFAOYSA-N 0 3 277.412 2.222 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2cccc(CC#N)c2)CN1C1CC1 ZINC000177168501 329181342 /nfs/dbraw/zinc/18/13/42/329181342.db2.gz XJINKWZBCYWRPH-IUODEOHRSA-N 0 3 283.375 2.108 20 30 CEEDHN C=CCSCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000182510961 329242624 /nfs/dbraw/zinc/24/26/24/329242624.db2.gz NOBMTSLRVURAKX-ZIAGYGMSSA-N 0 3 297.468 2.031 20 30 CEEDHN CC[C@H](CC#N)NC1CCN(Cc2ccncc2)CC1 ZINC000184090596 329256153 /nfs/dbraw/zinc/25/61/53/329256153.db2.gz NPDWRTOIYVTADG-OAHLLOKOSA-N 0 3 272.396 2.328 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000185427391 329273454 /nfs/dbraw/zinc/27/34/54/329273454.db2.gz OKDLPXZFUAHQSZ-ZIAGYGMSSA-N 0 3 250.386 2.285 20 30 CEEDHN CC1CC(C#N)(C(=O)NCCN(C)Cc2ccccc2)C1 ZINC000395351691 329284109 /nfs/dbraw/zinc/28/41/09/329284109.db2.gz FLCUJWHZWGCQQM-UHFFFAOYSA-N 0 3 285.391 2.174 20 30 CEEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)NCc1ccccc1 ZINC000185795282 329331929 /nfs/dbraw/zinc/33/19/29/329331929.db2.gz PMUDWNNJOZXUEM-VNQPRFMTSA-N 0 3 285.391 2.363 20 30 CEEDHN C[C@H]1CN(CC(C)(C)O)CCN1CCCC(C)(C)C#N ZINC000189475346 329381271 /nfs/dbraw/zinc/38/12/71/329381271.db2.gz UYRXIWAQCXDGMR-AWEZNQCLSA-N 0 3 281.444 2.093 20 30 CEEDHN C[C@@H](CCN1CCN(CC#N)CC1)c1ccccc1 ZINC000191073438 329406471 /nfs/dbraw/zinc/40/64/71/329406471.db2.gz QFCJOPYSNJYGLX-HNNXBMFYSA-N 0 3 257.381 2.321 20 30 CEEDHN C=CCN(C(=O)NC[C@@H](N)c1ccccc1)C1CC1 ZINC000418431136 329531901 /nfs/dbraw/zinc/53/19/01/329531901.db2.gz QDENQYJKPLOMST-CQSZACIVSA-N 0 3 259.353 2.046 20 30 CEEDHN C=C[C@H](C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000128234581 329606360 /nfs/dbraw/zinc/60/63/60/329606360.db2.gz FHPLFVPPDXWYCR-ZDUSSCGKSA-N 0 3 297.468 2.222 20 30 CEEDHN C=CCN1CCC(Nc2ccnc3c2c(C)nn3C)CC1 ZINC000420600662 329778652 /nfs/dbraw/zinc/77/86/52/329778652.db2.gz MFQXHASDWGMFIS-UHFFFAOYSA-N 0 3 285.395 2.339 20 30 CEEDHN Cc1cccc(NC(=[NH2+])NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000262558638 330021275 /nfs/dbraw/zinc/02/12/75/330021275.db2.gz VRPNWJHBWRYQRB-UHFFFAOYSA-N 0 3 298.272 2.059 20 30 CEEDHN Cc1cccc(NC(=[NH2+])NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000262558638 330021277 /nfs/dbraw/zinc/02/12/77/330021277.db2.gz VRPNWJHBWRYQRB-UHFFFAOYSA-N 0 3 298.272 2.059 20 30 CEEDHN C=CCOc1ccc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc1 ZINC000262837867 330034883 /nfs/dbraw/zinc/03/48/83/330034883.db2.gz WODSBTOWTYUJDX-STQMWFEESA-N 0 3 274.364 2.074 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1cc(C)cc(C)c1 ZINC000268797909 330066433 /nfs/dbraw/zinc/06/64/33/330066433.db2.gz ICSIAYFFMKJYEA-AWEZNQCLSA-N 0 3 258.365 2.094 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@]12CCOC2 ZINC000422080548 330120344 /nfs/dbraw/zinc/12/03/44/330120344.db2.gz ZQIHHIAWEPOPRU-DOTOQJQBSA-N 0 3 284.359 2.150 20 30 CEEDHN C=CCOc1cccc(NC(=O)[C@H](N)C2CCC2)c1 ZINC000423082851 330168919 /nfs/dbraw/zinc/16/89/19/330168919.db2.gz XVJMJZOXTZYCJL-CQSZACIVSA-N 0 3 260.337 2.317 20 30 CEEDHN CC[C@@H](CNC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424064895 330219153 /nfs/dbraw/zinc/21/91/53/330219153.db2.gz KJBMFQBHFOSKFL-ZFWWWQNUSA-N 0 3 273.380 2.318 20 30 CEEDHN CC(C)Oc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424076976 330221015 /nfs/dbraw/zinc/22/10/15/330221015.db2.gz AMDSAGDRLISDKZ-CQSZACIVSA-N 0 3 275.352 2.433 20 30 CEEDHN CCN(Cc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000424080879 330221874 /nfs/dbraw/zinc/22/18/74/330221874.db2.gz UEMSLNLDJZFIOZ-AWEZNQCLSA-N 0 3 259.353 2.056 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1cccc2[nH]ccc21 ZINC000424081372 330222004 /nfs/dbraw/zinc/22/20/04/330222004.db2.gz JVPRXOUGQNBCJV-NSHDSACASA-N 0 3 256.309 2.128 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2ncsc2c1 ZINC000424090196 330224714 /nfs/dbraw/zinc/22/47/14/330224714.db2.gz BJDURFDWTACRLY-JTQLQIEISA-N 0 3 274.349 2.256 20 30 CEEDHN CCOc1ccc(NC(=O)[C@H](N)CCCC#N)cc1F ZINC000424098252 330229289 /nfs/dbraw/zinc/22/92/89/330229289.db2.gz GSUQPDBYNVEUHN-GFCCVEGCSA-N 0 3 279.315 2.184 20 30 CEEDHN C[C@H]1Cc2ccccc2N(C(=O)[C@H](N)CCCC#N)C1 ZINC000424111251 330239542 /nfs/dbraw/zinc/23/95/42/330239542.db2.gz ACBBJPLUDAUBSP-GXTWGEPZSA-N 0 3 271.364 2.233 20 30 CEEDHN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@@H](N)CCCC#N ZINC000424126726 330259077 /nfs/dbraw/zinc/25/90/77/330259077.db2.gz PQPUHEJBERTJAF-KBMXLJTQSA-N 0 3 285.391 2.412 20 30 CEEDHN Cc1csc([C@@H](NC(=O)[C@@H](N)CCCC#N)C2CC2)n1 ZINC000424139774 330280241 /nfs/dbraw/zinc/28/02/41/330280241.db2.gz FJZJGGGDQMAFMZ-RYUDHWBXSA-N 0 3 292.408 2.040 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000424142752 330285511 /nfs/dbraw/zinc/28/55/11/330285511.db2.gz DZEYTRIJVIGUPR-NWDGAFQWSA-N 0 3 292.408 2.218 20 30 CEEDHN Cn1cc2ccc(CN[C@H]3CC[C@H](C#N)C3)cc2n1 ZINC000527963970 330300987 /nfs/dbraw/zinc/30/09/87/330300987.db2.gz SLNGQBGXCOZMIY-FZMZJTMJSA-N 0 3 254.337 2.355 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000424160659 330306268 /nfs/dbraw/zinc/30/62/68/330306268.db2.gz WQBKXIGLDQIZNC-MNOVXSKESA-N 0 3 291.317 2.245 20 30 CEEDHN COCCC1(CNC(=O)[C@H](N)CCCC#N)CCCCC1 ZINC000424165453 330309215 /nfs/dbraw/zinc/30/92/15/330309215.db2.gz DSNSZPDGSRBXJQ-CQSZACIVSA-N 0 3 295.427 2.111 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000424167529 330309858 /nfs/dbraw/zinc/30/98/58/330309858.db2.gz DWOXMYQDJICRIE-QWRGUYRKSA-N 0 3 268.338 2.337 20 30 CEEDHN CC(C)[C@H](C)N(C(=O)[C@H](N)CCCC#N)C1CC1 ZINC000424192505 330323888 /nfs/dbraw/zinc/32/38/88/330323888.db2.gz PBJXGYAHBAPZOI-WCQYABFASA-N 0 3 251.374 2.043 20 30 CEEDHN CC[C@H]1Cc2ccccc2CN1C(=O)[C@H](N)CCCC#N ZINC000424180688 330318962 /nfs/dbraw/zinc/31/89/62/330318962.db2.gz OYOOVZBFIAXHQF-JKSUJKDBSA-N 0 3 285.391 2.371 20 30 CEEDHN CCC(=O)c1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424187393 330320975 /nfs/dbraw/zinc/32/09/75/330320975.db2.gz IPOZFUVLIJULBR-CYBMUJFWSA-N 0 3 273.336 2.239 20 30 CEEDHN Cn1cc(CN[C@@H]2CC[C@H](C#N)C2)c(-c2cccnc2)n1 ZINC000424188229 330322127 /nfs/dbraw/zinc/32/21/27/330322127.db2.gz BSMBRGATMUQRCO-SWLSCSKDSA-N 0 3 281.363 2.264 20 30 CEEDHN CC1(c2ccccc2)CC(NC(=O)[C@H](N)CCCC#N)C1 ZINC000424190797 330323165 /nfs/dbraw/zinc/32/31/65/330323165.db2.gz OZTITTSLQRERJU-ISXOHVOVSA-N 0 3 285.391 2.244 20 30 CEEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(-n2cnnn2)cc1 ZINC000424330469 330342147 /nfs/dbraw/zinc/34/21/47/330342147.db2.gz QRLTUZRKMBUPCH-SGMGOOAPSA-N 0 3 282.351 2.005 20 30 CEEDHN CC(C)C[C@H](CO)NC(=O)C(C#N)CCc1ccccc1 ZINC000433378083 330348308 /nfs/dbraw/zinc/34/83/08/330348308.db2.gz YPENUKRHACEHCC-JKSUJKDBSA-N 0 3 288.391 2.282 20 30 CEEDHN C=CC[C@H](CO)CNCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000537022314 330385504 /nfs/dbraw/zinc/38/55/04/330385504.db2.gz HFLNJCGSXFDWRK-OLZOCXBDSA-N 0 3 291.391 2.293 20 30 CEEDHN C[C@@H](N[C@H]1CC[C@H](C#N)C1)C(=O)N1Cc2ccccc2C1 ZINC000442848844 330786657 /nfs/dbraw/zinc/78/66/57/330786657.db2.gz AXNGNENDPAQUGQ-WWGRRREGSA-N 0 3 283.375 2.199 20 30 CEEDHN COC(=O)[C@](C)(CN[C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000443067449 330793642 /nfs/dbraw/zinc/79/36/42/330793642.db2.gz LNNSQKBYAASDMJ-JLJPHGGASA-N 0 3 286.375 2.399 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NC[C@@H]2COc3ccccc3O2)C1 ZINC000447508662 330867186 /nfs/dbraw/zinc/86/71/86/330867186.db2.gz CMXHJERPWCBILJ-HZSPNIEDSA-N 0 3 272.348 2.498 20 30 CEEDHN C=C(C)CCNCc1cc2c(cc1OCCOC)OCO2 ZINC000449480742 330929370 /nfs/dbraw/zinc/92/93/70/330929370.db2.gz ZLDMODHCWVTJFB-UHFFFAOYSA-N 0 3 293.363 2.496 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cn(C(C)C)nc1C ZINC000449699118 330944671 /nfs/dbraw/zinc/94/46/71/330944671.db2.gz PWFYPWHVIDIIEQ-AWEZNQCLSA-N 0 3 251.374 2.189 20 30 CEEDHN C[C@](C#N)(NC(=O)CN[C@@H]1CCC12CCCC2)C1CC1 ZINC000451473707 331030869 /nfs/dbraw/zinc/03/08/69/331030869.db2.gz XCRIAWJNIJYXAF-UKRRQHHQSA-N 0 3 275.396 2.107 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1C[C@@H](OCC)C12CCC2 ZINC000451473580 331030896 /nfs/dbraw/zinc/03/08/96/331030896.db2.gz OQGNPTNRWXSBBD-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000451484675 331031241 /nfs/dbraw/zinc/03/12/41/331031241.db2.gz HIRXVQIPXNTHJM-CZUORRHYSA-N 0 3 282.428 2.204 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000451607229 331036384 /nfs/dbraw/zinc/03/63/84/331036384.db2.gz OTANUFPYXVCYDY-FZQKWOKYSA-N 0 3 296.317 2.225 20 30 CEEDHN N#CCCOCCN1CCCc2ccccc2CC1 ZINC000451720409 331040129 /nfs/dbraw/zinc/04/01/29/331040129.db2.gz UUKOZQYQFZSKJF-UHFFFAOYSA-N 0 3 258.365 2.408 20 30 CEEDHN CC[C@H]1CN(CC)CCN1CC#Cc1ccccc1 ZINC000451742302 331040823 /nfs/dbraw/zinc/04/08/23/331040823.db2.gz QWLZKOPWJZDPDW-KRWDZBQOSA-N 0 3 256.393 2.454 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](O)CC(C)(C)C1 ZINC000451806165 331043077 /nfs/dbraw/zinc/04/30/77/331043077.db2.gz WMTCPKFCSFYQRT-HUUCEWRRSA-N 0 3 296.455 2.282 20 30 CEEDHN CC#CCCN1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC000451998875 331049822 /nfs/dbraw/zinc/04/98/22/331049822.db2.gz CDFAFCZTRUXREP-HOTGVXAUSA-N 0 3 271.360 2.288 20 30 CEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)C1(C#N)CCC1 ZINC000452343885 331062811 /nfs/dbraw/zinc/06/28/11/331062811.db2.gz MCBYKPSAPGMROF-AWEZNQCLSA-N 0 3 277.412 2.307 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CCC(CF)CC2)CC1 ZINC000454464906 331146788 /nfs/dbraw/zinc/14/67/88/331146788.db2.gz NSYLZAFQGWQNIL-UHFFFAOYSA-N 0 3 297.418 2.418 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454823894 331154594 /nfs/dbraw/zinc/15/45/94/331154594.db2.gz ZEKPEXHXIUJEML-HZSPNIEDSA-N 0 3 265.401 2.077 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000455369900 331167393 /nfs/dbraw/zinc/16/73/93/331167393.db2.gz QAODQRYZNJUQAJ-CQSZACIVSA-N 0 3 279.428 2.468 20 30 CEEDHN COc1cccc([C@H]2C[C@H](NC(=O)C(C)C#N)C2)c1 ZINC000456518597 331194983 /nfs/dbraw/zinc/19/49/83/331194983.db2.gz VXWNLAMBJAGAOB-DRZSPHRISA-N 0 3 258.321 2.217 20 30 CEEDHN CC(C#N)C(=O)NC1(Cc2ccccc2)CCOCC1 ZINC000456798582 331204388 /nfs/dbraw/zinc/20/43/88/331204388.db2.gz ZAVCMHOKOCMQKX-CYBMUJFWSA-N 0 3 272.348 2.054 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000457692680 331231350 /nfs/dbraw/zinc/23/13/50/331231350.db2.gz GXHDTNLHARYLHZ-NUEKZKHPSA-N 0 3 292.423 2.124 20 30 CEEDHN CN(C)Cc1cccc(C(=O)NCC(C)(C)CC#N)c1 ZINC000457987629 331238893 /nfs/dbraw/zinc/23/88/93/331238893.db2.gz BKHCIHOWLRFAOM-UHFFFAOYSA-N 0 3 273.380 2.418 20 30 CEEDHN Cc1ncc(CNC(=O)C(C#N)CCc2ccccc2)o1 ZINC000458081734 331242357 /nfs/dbraw/zinc/24/23/57/331242357.db2.gz WGLAGEVHVSMLJM-CQSZACIVSA-N 0 3 283.331 2.372 20 30 CEEDHN C[C@H]1[C@H](CO)CCN1CC#Cc1ccc(Cl)cc1 ZINC000488768713 332024670 /nfs/dbraw/zinc/02/46/70/332024670.db2.gz XUXDYMXHFRTLPB-JSGCOSHPSA-N 0 3 263.768 2.394 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H]2CC)CC1 ZINC000488843398 332028896 /nfs/dbraw/zinc/02/88/96/332028896.db2.gz MDZKJYZYHVGZIQ-CQSZACIVSA-N 0 3 265.401 2.221 20 30 CEEDHN C=C[C@H]1CCCCN1CCC(=O)N1CCC[C@@H]1C ZINC000489468169 332054647 /nfs/dbraw/zinc/05/46/47/332054647.db2.gz AQQQZLVPIOXONJ-KBPBESRZSA-N 0 3 250.386 2.428 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000490384221 332087944 /nfs/dbraw/zinc/08/79/44/332087944.db2.gz YQROCJBZKHSUEF-CQSZACIVSA-N 0 3 275.396 2.277 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](CCC)c1ccccn1 ZINC000491229593 332170129 /nfs/dbraw/zinc/17/01/29/332170129.db2.gz IKMZPFNOMADEAG-OAHLLOKOSA-N 0 3 287.407 2.037 20 30 CEEDHN C#CCNC(=O)CCNCc1oc2ccc(F)cc2c1C ZINC000491297754 332184528 /nfs/dbraw/zinc/18/45/28/332184528.db2.gz RZBVNWMWCWTQQH-UHFFFAOYSA-N 0 3 288.322 2.109 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000491464419 332216647 /nfs/dbraw/zinc/21/66/47/332216647.db2.gz OKRRCNBDTNLEPR-SDDRHHMPSA-N 0 3 295.383 2.002 20 30 CEEDHN C#C[C@H](NC(=O)N1CCC[C@@H]1CN1CCCCC1)C(C)C ZINC000491536503 332231963 /nfs/dbraw/zinc/23/19/63/332231963.db2.gz KAXBAYMEYMMWTK-CVEARBPZSA-N 0 3 291.439 2.304 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000491637430 332258204 /nfs/dbraw/zinc/25/82/04/332258204.db2.gz WDUDKOAVZSIMHC-OAHLLOKOSA-N 0 3 299.418 2.314 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](CC)[C@@H]2CC2(C)C)CC1 ZINC000491638073 332258579 /nfs/dbraw/zinc/25/85/79/332258579.db2.gz XWBJZTXNOQVWGS-GJZGRUSLSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCN(C)CCCNC(=S)Nc1ccccc1CC ZINC000491672721 332279095 /nfs/dbraw/zinc/27/90/95/332279095.db2.gz YMRJQXFGJOHKGR-UHFFFAOYSA-N 0 3 289.448 2.491 20 30 CEEDHN C#CCN(C)CCCN[C@H](c1ccccc1)c1cncnc1 ZINC000491675794 332281428 /nfs/dbraw/zinc/28/14/28/332281428.db2.gz XVGNNYVRGNDTSJ-GOSISDBHSA-N 0 3 294.402 2.111 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000491682720 332285286 /nfs/dbraw/zinc/28/52/86/332285286.db2.gz ULQUEEFONFCEPP-GJZGRUSLSA-N 0 3 279.428 2.162 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000491764746 332333318 /nfs/dbraw/zinc/33/33/18/332333318.db2.gz DFJYZGZUFRVLSD-ARFHVFGLSA-N 0 3 291.439 2.162 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C)CC(C)(C)C)CC1 ZINC000491772061 332338379 /nfs/dbraw/zinc/33/83/79/332338379.db2.gz PSORVFUZQUTFFD-CYBMUJFWSA-N 0 3 264.413 2.273 20 30 CEEDHN C#C[C@H](CCC)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000491772462 332338903 /nfs/dbraw/zinc/33/89/03/332338903.db2.gz AHXOHUCADIEYII-RBSFLKMASA-N 0 3 285.343 2.209 20 30 CEEDHN C#C[C@H](CCC)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000491772459 332338923 /nfs/dbraw/zinc/33/89/23/332338923.db2.gz AHXOHUCADIEYII-ILXRZTDVSA-N 0 3 285.343 2.209 20 30 CEEDHN C#CCN(CCCC(=O)NC)[C@H]1CCc2ccccc21 ZINC000491792767 332353049 /nfs/dbraw/zinc/35/30/49/332353049.db2.gz HMTYGIWIAMTEBX-INIZCTEOSA-N 0 3 270.376 2.135 20 30 CEEDHN C#CCN(CC)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000491806616 332359927 /nfs/dbraw/zinc/35/99/27/332359927.db2.gz RKQXHXGQQCZXKT-BBRMVZONSA-N 0 3 278.396 2.199 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C2CC2)C2CCC2)CC1 ZINC000491810916 332363521 /nfs/dbraw/zinc/36/35/21/332363521.db2.gz APGXJZVRVWICQE-INIZCTEOSA-N 0 3 274.408 2.027 20 30 CEEDHN CN1C(=O)C[C@@H](NCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000494208690 332466793 /nfs/dbraw/zinc/46/67/93/332466793.db2.gz MSWDHQPANFZMJT-HIFRSBDPSA-N 0 3 293.317 2.130 20 30 CEEDHN CN(CCN[C@@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000495860368 332532072 /nfs/dbraw/zinc/53/20/72/332532072.db2.gz ZHQKIFOJBFHGOB-VXGBXAGGSA-N 0 3 267.373 2.135 20 30 CEEDHN C#CC[C@@H](CC(F)(F)F)NCCNC(=O)OC(C)(C)C ZINC000495883621 332532586 /nfs/dbraw/zinc/53/25/86/332532586.db2.gz DQPSEQJAPCQQPD-JTQLQIEISA-N 0 3 294.317 2.445 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2CSC)CC1 ZINC000178727578 333076946 /nfs/dbraw/zinc/07/69/46/333076946.db2.gz JRGWVUAKPPOZSL-CQSZACIVSA-N 0 3 297.468 2.174 20 30 CEEDHN CCC[C@H](C#N)NC(=O)C1CN(C2CCCCC2)C1 ZINC000517308091 333097318 /nfs/dbraw/zinc/09/73/18/333097318.db2.gz WVHBAPVISJHLER-CYBMUJFWSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCC[C@@H](C)NCc1cc(=O)n2ccccc2n1 ZINC000521055200 333110689 /nfs/dbraw/zinc/11/06/89/333110689.db2.gz ZNNQOQSIJHWALB-GFCCVEGCSA-N 0 3 257.337 2.139 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000184024918 333124636 /nfs/dbraw/zinc/12/46/36/333124636.db2.gz YEPRLZWQAQLRIL-IJEWVQPXSA-N 0 3 276.424 2.273 20 30 CEEDHN C=C[C@](C)(CC)C(=O)NCCN1CCC(C)CC1 ZINC000190557830 333208277 /nfs/dbraw/zinc/20/82/77/333208277.db2.gz ALEBVGNORQBWAE-OAHLLOKOSA-N 0 3 252.402 2.437 20 30 CEEDHN C#CCN(CCO[C@@H]1CCCCO1)C1CCCC1 ZINC000193065715 333242312 /nfs/dbraw/zinc/24/23/12/333242312.db2.gz SHVAZWYBJZFIBM-OAHLLOKOSA-N 0 3 251.370 2.407 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](C)Cc2ccccc2C)CC1 ZINC000194061148 333264756 /nfs/dbraw/zinc/26/47/56/333264756.db2.gz JNPJEYPWNRRLDH-INIZCTEOSA-N 0 3 298.430 2.387 20 30 CEEDHN C=CCN(C)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000194416935 333270872 /nfs/dbraw/zinc/27/08/72/333270872.db2.gz LPIDTFMAEUJEIE-MRXNPFEDSA-N 0 3 287.407 2.336 20 30 CEEDHN N#CC(C(=O)c1cnn2ccccc12)c1ccccn1 ZINC000227291775 333279795 /nfs/dbraw/zinc/27/97/95/333279795.db2.gz BAOGKKQZKWAVHF-NSHDSACASA-N 0 3 262.272 2.219 20 30 CEEDHN C[C@@H](C#N)C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000338345220 335135940 /nfs/dbraw/zinc/13/59/40/335135940.db2.gz BHRWRZNMCXMDCZ-ZDUSSCGKSA-N 0 3 273.380 2.173 20 30 CEEDHN CC(C)(CCC#N)CNCc1cc(=O)n2ccccc2n1 ZINC000576232973 335175347 /nfs/dbraw/zinc/17/53/47/335175347.db2.gz HRYBVNUVWNBBTA-UHFFFAOYSA-N 0 3 284.363 2.114 20 30 CEEDHN COc1cccc(N2C[C@H](N[C@@H]3CC[C@H](C#N)C3)CC2=O)c1 ZINC000549814382 334205520 /nfs/dbraw/zinc/20/55/20/334205520.db2.gz NXNWOKSNRRDAJX-BFHYXJOUSA-N 0 3 299.374 2.082 20 30 CEEDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C1(C#N)CCCCC1 ZINC000247547605 334285278 /nfs/dbraw/zinc/28/52/78/334285278.db2.gz ZAEMCNMIRXGDMI-KGLIPLIRSA-N 0 3 275.396 2.156 20 30 CEEDHN C[C@@H](O)CN(Cc1ccccc1C(C)(C)C#N)[C@H](C)CO ZINC000248975370 334323447 /nfs/dbraw/zinc/32/34/47/334323447.db2.gz UIASNBPJAWBBFU-ZIAGYGMSSA-N 0 3 290.407 2.051 20 30 CEEDHN C=CCSCCNC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000249833972 334341030 /nfs/dbraw/zinc/34/10/30/334341030.db2.gz QQHOGHXGLVBNPY-UONOGXRCSA-N 0 3 299.484 2.325 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)cc1F ZINC000565306585 334551276 /nfs/dbraw/zinc/55/12/76/334551276.db2.gz CMBJHBZFQASKFP-KGLIPLIRSA-N 0 3 251.301 2.267 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000573081259 334906213 /nfs/dbraw/zinc/90/62/13/334906213.db2.gz TVSBVLDWJWIVDE-AWEZNQCLSA-N 0 3 279.428 2.468 20 30 CEEDHN N#C[C@]1(C(=O)N2CC[C@@H](N3CCCC3)C2)CC12CCCC2 ZINC000577971840 335444219 /nfs/dbraw/zinc/44/42/19/335444219.db2.gz HTDGUZDVQCLEGV-PBHICJAKSA-N 0 3 287.407 2.157 20 30 CEEDHN CN(C)C(=O)C(C)(C)NCCC1(C#N)CCCCC1 ZINC000579684276 335863055 /nfs/dbraw/zinc/86/30/55/335863055.db2.gz FQEMPJNSWLLIRZ-UHFFFAOYSA-N 0 3 265.401 2.307 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000580875623 335978030 /nfs/dbraw/zinc/97/80/30/335978030.db2.gz HGLKNJCIXZRFDE-HONMWMINSA-N 0 3 288.347 2.012 20 30 CEEDHN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)C(C)C#N)cc1 ZINC000347434641 534224181 /nfs/dbraw/zinc/22/41/81/534224181.db2.gz UBEJBAYDDMTLCN-SNPRPXQTSA-N 0 3 272.348 2.491 20 30 CEEDHN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)C(C)C#N)cc1 ZINC000347434637 534224289 /nfs/dbraw/zinc/22/42/89/534224289.db2.gz UBEJBAYDDMTLCN-QEJZJMRPSA-N 0 3 272.348 2.491 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000336099484 534282617 /nfs/dbraw/zinc/28/26/17/534282617.db2.gz FBAYJSJBSXTWQT-MFKMUULPSA-N 0 3 260.362 2.293 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000069304297 518267354 /nfs/dbraw/zinc/26/73/54/518267354.db2.gz MCBUUKXAUXWWST-UHFFFAOYSA-N 0 3 281.359 2.150 20 30 CEEDHN C=CCC[C@H](O)CN[C@H](CCO)c1ccc(OC)cc1 ZINC000182404020 518728098 /nfs/dbraw/zinc/72/80/98/518728098.db2.gz AAEFRDBIDLWQLI-GOEBONIOSA-N 0 3 279.380 2.035 20 30 CEEDHN C=CC[C@@H](CO)NCc1cnc(C(C)(C)C)s1 ZINC000184282525 519104210 /nfs/dbraw/zinc/10/42/10/519104210.db2.gz DYMTUAIGAJHTMR-JTQLQIEISA-N 0 3 254.399 2.467 20 30 CEEDHN C=CCn1c(SCCN(C)C)nc2ccccc2c1=O ZINC000061573646 519234937 /nfs/dbraw/zinc/23/49/37/519234937.db2.gz ZPASMDFZBNWKGZ-UHFFFAOYSA-N 0 3 289.404 2.236 20 30 CEEDHN CC1(C)CN(CCOc2cccc(C#N)c2)CCCO1 ZINC000377704169 520468947 /nfs/dbraw/zinc/46/89/47/520468947.db2.gz NGWLYIKVLLTCTB-UHFFFAOYSA-N 0 3 274.364 2.438 20 30 CEEDHN CCOC(=O)N1CC[C@H](N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000185034190 520968419 /nfs/dbraw/zinc/96/84/19/520968419.db2.gz BQYQIQOURYKMQX-WFASDCNBSA-N 0 3 287.363 2.440 20 30 CEEDHN CC[C@@H](C)N1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000055066485 522121425 /nfs/dbraw/zinc/12/14/25/522121425.db2.gz BBGRDIRUTYWBPM-RHSMWYFYSA-N 0 3 287.407 2.008 20 30 CEEDHN COCCCCCN1CCN(c2ccccc2C#N)CC1 ZINC000103227704 523111462 /nfs/dbraw/zinc/11/14/62/523111462.db2.gz IRMPPBCOBHGWRC-UHFFFAOYSA-N 0 3 287.407 2.497 20 30 CEEDHN C[C@@H](CNC(=O)Nc1ccc(C#N)cc1)N(C)C1CC1 ZINC000069223905 524689269 /nfs/dbraw/zinc/68/92/69/524689269.db2.gz LWEKEQVOOXWADW-NSHDSACASA-N 0 3 272.352 2.162 20 30 CEEDHN CC#CCN1CCC(n2ncc(C(=O)OCC)c2C)CC1 ZINC000367155904 526363109 /nfs/dbraw/zinc/36/31/09/526363109.db2.gz IBPBJVWVOIFSHO-UHFFFAOYSA-N 0 3 289.379 2.028 20 30 CEEDHN C=CCN1CCC(NC(=O)C(C)(C)C2CC2)CC1 ZINC000353300856 526419739 /nfs/dbraw/zinc/41/97/39/526419739.db2.gz FINVNRGCXVTOTF-UHFFFAOYSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCCC23CCC3)CC1 ZINC000335236279 526425198 /nfs/dbraw/zinc/42/51/98/526425198.db2.gz YPAIJASLQFGKGS-UHFFFAOYSA-N 0 3 277.412 2.365 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CC[C@@H](C)C2)CC1 ZINC000353724701 526433600 /nfs/dbraw/zinc/43/36/00/526433600.db2.gz QDRRRSKWAMCNOQ-ZIAGYGMSSA-N 0 3 279.428 2.372 20 30 CEEDHN C=C(C)COCCNCc1c(C)nc2sc(C)nn12 ZINC000346705719 526654538 /nfs/dbraw/zinc/65/45/38/526654538.db2.gz LWAFSVNHPSSKRF-UHFFFAOYSA-N 0 3 280.397 2.090 20 30 CEEDHN C=CCOCCCN1CCN(c2cccc(OC)c2)CC1 ZINC000347970132 526757017 /nfs/dbraw/zinc/75/70/17/526757017.db2.gz LYVLQERLMDMKLJ-UHFFFAOYSA-N 0 3 290.407 2.410 20 30 CEEDHN C=C(CNC(=O)N[C@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000353637984 526875117 /nfs/dbraw/zinc/87/51/17/526875117.db2.gz MGIOBBWKXFIPIJ-ZBFHGGJFSA-N 0 3 287.407 2.482 20 30 CEEDHN C=CCCCN1CCN(Cc2cscn2)CC1 ZINC000344613008 527199769 /nfs/dbraw/zinc/19/97/69/527199769.db2.gz BLXMFQMCJMVMDG-UHFFFAOYSA-N 0 3 251.399 2.227 20 30 CEEDHN C=C[C@@H](CO)NC/C(C)=C/c1ccccc1COC ZINC000353577083 527441371 /nfs/dbraw/zinc/44/13/71/527441371.db2.gz RLKYPEYFVUCIMI-WQMJKPAKSA-N 0 3 261.365 2.373 20 30 CEEDHN CC(C)CC(=O)Nc1cccc(CNC(=O)C(C)C#N)c1 ZINC000347041319 527672324 /nfs/dbraw/zinc/67/23/24/527672324.db2.gz SNTOZVNYKVYRIQ-LBPRGKRZSA-N 0 3 287.363 2.447 20 30 CEEDHN CC(C)CCOC1CCN(C(=O)C(C)C#N)CC1 ZINC000347040613 527744795 /nfs/dbraw/zinc/74/47/95/527744795.db2.gz RHRRDRQMKXUSLV-LBPRGKRZSA-N 0 3 252.358 2.200 20 30 CEEDHN CCCN(CCN1CCCC1)C(=O)NCC1(CC#N)CC1 ZINC000355870087 528078898 /nfs/dbraw/zinc/07/88/98/528078898.db2.gz YUUCVHMGNLIXTJ-UHFFFAOYSA-N 0 3 292.427 2.198 20 30 CEEDHN CCOc1cc(CNC(=O)C(C)C#N)ccc1OC(F)F ZINC000347061264 528273459 /nfs/dbraw/zinc/27/34/59/528273459.db2.gz DYNMLYIGPOANPE-VIFPVBQESA-N 0 3 298.289 2.463 20 30 CEEDHN CC1(C)C(CNC([O-])=[NH+][C@@H]2CCn3ccnc3C2)C1(C)C ZINC000329984971 528871682 /nfs/dbraw/zinc/87/16/82/528871682.db2.gz CSRAQJUVDQNLLG-LLVKDONJSA-N 0 3 290.411 2.384 20 30 CEEDHN CC1(C)CCCN1CCNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000333309008 528942939 /nfs/dbraw/zinc/94/29/39/528942939.db2.gz DKJFAROXAALGCN-QGZVFWFLSA-N 0 3 289.423 2.451 20 30 CEEDHN CC[C@@H](NCc1cnc2ccc(C#N)cn12)[C@H](O)C(C)C ZINC000414517946 529188492 /nfs/dbraw/zinc/18/84/92/529188492.db2.gz ALDTUNLSXQSURQ-GDBMZVCRSA-N 0 3 286.379 2.091 20 30 CEEDHN CC[C@@H](O)CCCNCc1ccc(C#N)c(F)c1 ZINC000403994314 529219825 /nfs/dbraw/zinc/21/98/25/529219825.db2.gz FQNNMYYSTVTZDS-CYBMUJFWSA-N 0 3 250.317 2.338 20 30 CEEDHN C=CCCOC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000729074191 574477965 /nfs/dbraw/zinc/47/79/65/574477965.db2.gz HIGQQTACQUIUGM-ZDUSSCGKSA-N 0 3 277.295 2.298 20 30 CEEDHN N#CC(C(=O)CCCn1cccn1)c1nc2ccccc2[nH]1 ZINC000729886703 574494380 /nfs/dbraw/zinc/49/43/80/574494380.db2.gz JJVLJAVZJLMEBR-GFCCVEGCSA-N 0 3 293.330 2.416 20 30 CEEDHN C=CCOCC(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000729889311 574494420 /nfs/dbraw/zinc/49/44/20/574494420.db2.gz NEYGICWTMSJXJL-CQSZACIVSA-N 0 3 286.331 2.099 20 30 CEEDHN C=C(C)CN1CCC(NC(=S)N[C@@H](C)CC)CC1 ZINC000729942609 574496801 /nfs/dbraw/zinc/49/68/01/574496801.db2.gz PFWNXWUTMAJSIF-LBPRGKRZSA-N 0 3 269.458 2.290 20 30 CEEDHN C=CCNC(=S)NC[C@H](C)N(C)Cc1ccccc1 ZINC000731941840 574606832 /nfs/dbraw/zinc/60/68/32/574606832.db2.gz BFUQNFFKJVPVQC-ZDUSSCGKSA-N 0 3 277.437 2.157 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)C1CCSCC1 ZINC000733053648 574640567 /nfs/dbraw/zinc/64/05/67/574640567.db2.gz PYUCUFCKNFOBHY-GFCCVEGCSA-N 0 3 282.409 2.145 20 30 CEEDHN CCC(CC)NN=Cc1ccc(N(C)CCO)cc1 ZINC000734364835 574709926 /nfs/dbraw/zinc/70/99/26/574709926.db2.gz HZZPJMZZHSZTLT-UHFFFAOYSA-N 0 3 263.385 2.227 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccc(Br)cc1F ZINC000736673160 574794382 /nfs/dbraw/zinc/79/43/82/574794382.db2.gz FXDRUZSNTIXDQW-QMMMGPOBSA-N 0 3 299.143 2.407 20 30 CEEDHN N#CC(C(=O)C[C@@H]1CCOC1)c1nc2ccccc2[nH]1 ZINC000740528881 574957913 /nfs/dbraw/zinc/95/79/13/574957913.db2.gz ZWGZUARCYSOTSV-WDEREUQCSA-N 0 3 269.304 2.166 20 30 CEEDHN COCCOC[C@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000742377281 575018675 /nfs/dbraw/zinc/01/86/75/575018675.db2.gz REVFXVVVKQIIAI-KBPBESRZSA-N 0 3 292.379 2.119 20 30 CEEDHN COC(=O)N1CCC[C@H](N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000743473598 575104657 /nfs/dbraw/zinc/10/46/57/575104657.db2.gz DWZPBDMWMVQGQJ-WFASDCNBSA-N 0 3 287.363 2.440 20 30 CEEDHN C#CCCN1CCC(NC(=O)[C@@H](C)c2cccs2)CC1 ZINC000743492591 575105262 /nfs/dbraw/zinc/10/52/62/575105262.db2.gz WMQWLHHDQLWYLD-ZDUSSCGKSA-N 0 3 290.432 2.456 20 30 CEEDHN COC(=O)C[C@H](NC(=O)C(C)C#N)c1cccc(Cl)c1 ZINC000743820925 575109980 /nfs/dbraw/zinc/10/99/80/575109980.db2.gz JDWOWRYEVALIKC-SKDRFNHKSA-N 0 3 294.738 2.220 20 30 CEEDHN N#CC(C(=O)C=CC1CC1)C(=O)Nc1ccccc1 ZINC000744027873 575112343 /nfs/dbraw/zinc/11/23/43/575112343.db2.gz BZXNVIKLBNYALF-LJTDUEICSA-N 0 3 254.289 2.300 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000744032554 575112483 /nfs/dbraw/zinc/11/24/83/575112483.db2.gz GRXZGCDRQOMOLG-XUWXXGDYSA-N 0 3 296.370 2.124 20 30 CEEDHN C[C@@H](C#N)OC(=O)C1CCN(c2cccc(Cl)c2)C1=O ZINC000745432375 575137939 /nfs/dbraw/zinc/13/79/39/575137939.db2.gz JOGVFGZWIWDAPZ-CABZTGNLSA-N 0 3 292.722 2.148 20 30 CEEDHN CC#CCN(CCCCCC)CCN1CCOCC1 ZINC000746457514 575156498 /nfs/dbraw/zinc/15/64/98/575156498.db2.gz GGCZAFLTDHTTJF-UHFFFAOYSA-N 0 3 266.429 2.224 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C#Cc1ccccc1 ZINC000747384787 575169977 /nfs/dbraw/zinc/16/99/77/575169977.db2.gz ZCLFRWQGAHUMBY-HOTGVXAUSA-N 0 3 284.403 2.417 20 30 CEEDHN C=CCNC(=S)N(CCN(C)C)Cc1ccccc1 ZINC000747732530 575174378 /nfs/dbraw/zinc/17/43/78/575174378.db2.gz MLCSXYSCCOFBSO-UHFFFAOYSA-N 0 3 277.437 2.111 20 30 CEEDHN COC(=O)N(C)CC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000747198634 575168441 /nfs/dbraw/zinc/16/84/41/575168441.db2.gz IVWUBKGNTYXQIO-SECBINFHSA-N 0 3 295.364 2.141 20 30 CEEDHN CCCCCCCN1CCN(C(C)(C)CO)CC1 ZINC000747840950 575175803 /nfs/dbraw/zinc/17/58/03/575175803.db2.gz VRSGCDOJTMPTLO-UHFFFAOYSA-N 0 3 256.434 2.345 20 30 CEEDHN CC[C@@](C)(CC(=O)OC)NCc1cc(C#N)cs1 ZINC000748246142 575180932 /nfs/dbraw/zinc/18/09/32/575180932.db2.gz JXQOBSSXXXXFPQ-ZDUSSCGKSA-N 0 3 266.366 2.441 20 30 CEEDHN C#CCCN1CCC(NC(=O)Nc2ccccc2F)CC1 ZINC000751147607 575283395 /nfs/dbraw/zinc/28/33/95/575283395.db2.gz FTWNFUJXBZEXRT-UHFFFAOYSA-N 0 3 289.354 2.435 20 30 CEEDHN Cc1nnc(C)n1N=C[C@H]1CCOc2ccccc21 ZINC000752163177 575306194 /nfs/dbraw/zinc/30/61/94/575306194.db2.gz RFQWKILGUHKOSW-GFCCVEGCSA-N 0 3 256.309 2.295 20 30 CEEDHN CC(C)(O)CN(Cc1csc(C#N)c1)C1CC1 ZINC000893707168 628958463 /nfs/dbraw/zinc/95/84/63/628958463.db2.gz PNNVYVXLLQHSDQ-UHFFFAOYSA-N 0 3 250.367 2.355 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2csc(Cl)c2)C1 ZINC000970526950 612998478 /nfs/dbraw/zinc/99/84/78/612998478.db2.gz TWUFYJYBVJXYBY-JTQLQIEISA-N 0 3 296.823 2.475 20 30 CEEDHN C[C@@H]([NH2+]CCCCC#N)c1ccc(-c2nnn[n-]2)cc1F ZINC000824584338 609333208 /nfs/dbraw/zinc/33/32/08/609333208.db2.gz ACIPJPSCYZFUFO-SNVBAGLBSA-N 0 3 288.330 2.350 20 30 CEEDHN C[C@@H]([NH2+]CCCCC#N)c1ccc(-c2nn[n-]n2)cc1F ZINC000824584338 609333209 /nfs/dbraw/zinc/33/32/09/609333209.db2.gz ACIPJPSCYZFUFO-SNVBAGLBSA-N 0 3 288.330 2.350 20 30 CEEDHN C=C(C)C[N@@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000823878352 609371317 /nfs/dbraw/zinc/37/13/17/609371317.db2.gz WHAKQRXDUZRFBJ-UHFFFAOYSA-N 0 3 261.304 2.014 20 30 CEEDHN C=C(C)C[N@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000823878352 609371319 /nfs/dbraw/zinc/37/13/19/609371319.db2.gz WHAKQRXDUZRFBJ-UHFFFAOYSA-N 0 3 261.304 2.014 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C2(CC)CCCCC2)C1 ZINC000970776548 612960394 /nfs/dbraw/zinc/96/03/94/612960394.db2.gz GIZFVZKFIDNVID-CQSZACIVSA-N 0 3 262.397 2.171 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C(C)C)s2)C1 ZINC000970822519 612965525 /nfs/dbraw/zinc/96/55/25/612965525.db2.gz QTEPJSYJAOSGGB-GFCCVEGCSA-N 0 3 276.405 2.309 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2oc3ccccc3c2C)C1 ZINC000970642520 612968112 /nfs/dbraw/zinc/96/81/12/612968112.db2.gz YJLISQMMGIJNRA-CYBMUJFWSA-N 0 3 282.343 2.179 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2csc(C)c2C)C1 ZINC000969744829 612996147 /nfs/dbraw/zinc/99/61/47/612996147.db2.gz MGOPZUCVVSIJCK-GFCCVEGCSA-N 0 3 290.432 2.438 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2c(C)cccc2F)C1 ZINC000970977766 612997066 /nfs/dbraw/zinc/99/70/66/612997066.db2.gz JROKVOPOBMNBGI-ZDUSSCGKSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000981666971 613005155 /nfs/dbraw/zinc/00/51/55/613005155.db2.gz IKNPZHVUYDPVDW-OSYLJGHBSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCCN1CCCN(C(=O)c2cc[nH]c2C2CC2)CC1 ZINC000981834934 613006136 /nfs/dbraw/zinc/00/61/36/613006136.db2.gz RFDBEUANADAUIY-UHFFFAOYSA-N 0 3 285.391 2.063 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC000968525685 613014631 /nfs/dbraw/zinc/01/46/31/613014631.db2.gz UJWIBQUODUBTGK-CZUORRHYSA-N 0 3 288.435 2.273 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ncccc2CC)C1 ZINC000967081088 613016153 /nfs/dbraw/zinc/01/61/53/613016153.db2.gz ALCDIFGLLNSIBK-GDBMZVCRSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccsc2)C1 ZINC000964938660 613016344 /nfs/dbraw/zinc/01/63/44/613016344.db2.gz TWBAVJAAUAKCRG-TZMCWYRMSA-N 0 3 276.405 2.212 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC000968274473 613024164 /nfs/dbraw/zinc/02/41/64/613024164.db2.gz MBIGQRRYMMTKQA-LSDHHAIUSA-N 0 3 274.408 2.193 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccccc2)C1 ZINC000964743667 613024724 /nfs/dbraw/zinc/02/47/24/613024724.db2.gz LJOAYHZVJHYXRT-GOEBONIOSA-N 0 3 270.376 2.150 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C(C)=C2CCC2)C(C)(C)C1 ZINC000974590152 613030911 /nfs/dbraw/zinc/03/09/11/613030911.db2.gz TWNCIACCUXHDNA-OAHLLOKOSA-N 0 3 274.408 2.337 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)Cc2ccccc2C)C(C)(C)C1 ZINC000977577036 613037414 /nfs/dbraw/zinc/03/74/14/613037414.db2.gz VQJDCKZUSWYVST-KRWDZBQOSA-N 0 3 298.430 2.387 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)CC2CCC2)CC1 ZINC000948258609 613161039 /nfs/dbraw/zinc/16/10/39/613161039.db2.gz YXIDEEJJYYVGGT-OAHLLOKOSA-N 0 3 262.397 2.123 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)C(C)(C)C2CC2)CC1 ZINC000948697526 613161537 /nfs/dbraw/zinc/16/15/37/613161537.db2.gz NZJAWYIHOQMCTD-OAHLLOKOSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000948642551 613163018 /nfs/dbraw/zinc/16/30/18/613163018.db2.gz KFKXIYXKVQWYEQ-KYHPRHEASA-N 0 3 288.435 2.369 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc3occc3[nH]2)CC1 ZINC000948417014 613163721 /nfs/dbraw/zinc/16/37/21/613163721.db2.gz VAIVZVCUNBYSMR-CYBMUJFWSA-N 0 3 299.374 2.321 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2occc2CC)CC1 ZINC000948748252 613180200 /nfs/dbraw/zinc/18/02/00/613180200.db2.gz FPJHURRTEKOZKD-HNNXBMFYSA-N 0 3 288.391 2.402 20 30 CEEDHN C#Cc1ccccc1CC(=O)N1CCN(C[C@@H](C)CC)CC1 ZINC000957467281 613204911 /nfs/dbraw/zinc/20/49/11/613204911.db2.gz HEXLNOQDZUKJGF-INIZCTEOSA-N 0 3 298.430 2.401 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C2(C3CC3)CCC2)C[C@H]1C ZINC000947572690 613222855 /nfs/dbraw/zinc/22/28/55/613222855.db2.gz SAJRKXKTAKJMDX-UKRRQHHQSA-N 0 3 274.408 2.169 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)C2(C)CCCC2)[C@H](C)C1 ZINC000942540521 613223019 /nfs/dbraw/zinc/22/30/19/613223019.db2.gz LTEXDCBVXNKQBW-ZIAGYGMSSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)CC2CCCC2)C[C@H]1C ZINC000947013007 613225168 /nfs/dbraw/zinc/22/51/68/613225168.db2.gz HLVXTKCBZYSTCC-UKRRQHHQSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccnc(CCC)c2)C[C@H]1C ZINC000947411820 613238377 /nfs/dbraw/zinc/23/83/77/613238377.db2.gz KRHLXMBLIVBBGS-RHSMWYFYSA-N 0 3 299.418 2.250 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CCCN(CCCF)CC1 ZINC000981740755 613240165 /nfs/dbraw/zinc/24/01/65/613240165.db2.gz AUBQVADCMPZHGE-UHFFFAOYSA-N 0 3 270.392 2.483 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C(F)=C2CCCC2)[C@H](C)C1 ZINC000941953559 613256659 /nfs/dbraw/zinc/25/66/59/613256659.db2.gz YTXWYPJTDWDGKZ-OCCSQVGLSA-N 0 3 278.371 2.244 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C(C)=C2CCC2)C[C@H]1C ZINC000947299916 613256678 /nfs/dbraw/zinc/25/66/78/613256678.db2.gz DOGKRUHTCADJOK-DOMZBBRYSA-N 0 3 260.381 2.089 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccsc2C)[C@@H](C)C1 ZINC000943376201 613260899 /nfs/dbraw/zinc/26/08/99/613260899.db2.gz UBTSWSOYPPWOAD-WFASDCNBSA-N 0 3 290.432 2.059 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2c[nH]c3ccccc23)C[C@@H]1C ZINC000947511591 613264938 /nfs/dbraw/zinc/26/49/38/613264938.db2.gz PSRSLPHIJZQXCX-KBPBESRZSA-N 0 3 295.386 2.384 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)cc(F)c2)[C@H](C)C1 ZINC000942961417 613265715 /nfs/dbraw/zinc/26/57/15/613265715.db2.gz UUOSKHZUZYZWNF-CJNGLKHVSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000944345270 613265762 /nfs/dbraw/zinc/26/57/62/613265762.db2.gz FHODVGZCHRZJLM-WBVHZDCISA-N 0 3 284.403 2.377 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000944633818 613268646 /nfs/dbraw/zinc/26/86/46/613268646.db2.gz KLKHCYIWIACOOG-RDJZCZTQSA-N 0 3 284.403 2.377 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C)c2C)[C@H](C)C1 ZINC000944552576 613270174 /nfs/dbraw/zinc/27/01/74/613270174.db2.gz ITCAQKUZMRAQNA-PBHICJAKSA-N 0 3 284.403 2.377 20 30 CEEDHN C#CCN1C[C@]2(C)CN(C(=O)C3(C)CCCC3)C[C@]2(C)C1 ZINC000982412461 613292721 /nfs/dbraw/zinc/29/27/21/613292721.db2.gz VIUNEILMBNBVBZ-HDICACEKSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1C[C@]2(C)CN(C(=O)[C@H](C)C(C)(C)C)C[C@]2(C)C1 ZINC000982308454 613293285 /nfs/dbraw/zinc/29/32/85/613293285.db2.gz ZIIFHRWRBIFLNA-JCGIZDLHSA-N 0 3 290.451 2.472 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC000970454232 613300072 /nfs/dbraw/zinc/30/00/72/613300072.db2.gz GECUDTSRIOFETH-GFCCVEGCSA-N 0 3 290.411 2.159 20 30 CEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccoc2CC)C1 ZINC000969580769 613303530 /nfs/dbraw/zinc/30/35/30/613303530.db2.gz XSBCHRQARZUTAR-LBPRGKRZSA-N 0 3 276.380 2.468 20 30 CEEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cccnn1 ZINC000969085164 613307236 /nfs/dbraw/zinc/30/72/36/613307236.db2.gz OPNNYDOSRRHCKQ-AWEZNQCLSA-N 0 3 288.395 2.027 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(F)c[nH]2)C(C)(C)C1 ZINC000974838950 613338432 /nfs/dbraw/zinc/33/84/32/613338432.db2.gz ULRRCPYLZGSWMY-CYBMUJFWSA-N 0 3 279.359 2.170 20 30 CEEDHN C=C(Cl)CNC1CC2(C1)CC(NC(=O)CC)C2 ZINC000963434867 613383801 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ZINC001023744880 625176893 /nfs/dbraw/zinc/17/68/93/625176893.db2.gz WLARFBQVDNZETJ-CYBMUJFWSA-N 0 3 291.395 2.173 20 30 CEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001024704445 625766633 /nfs/dbraw/zinc/76/66/33/625766633.db2.gz MFHXAYRXGQOKSW-OWCLPIDISA-N 0 3 274.408 2.027 20 30 CEEDHN Cn1cc(CCC(=O)C(C#N)c2nc3ccccc3o2)cn1 ZINC000066516578 625931239 /nfs/dbraw/zinc/93/12/39/625931239.db2.gz UNCSMDFGNPHOEA-GFCCVEGCSA-N 0 3 294.314 2.370 20 30 CEEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccon1 ZINC001025207111 627382483 /nfs/dbraw/zinc/38/24/83/627382483.db2.gz DFVDJHJFRZCLMA-HUUCEWRRSA-N 0 3 289.379 2.320 20 30 CEEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc[nH]c1 ZINC001025234545 627389179 /nfs/dbraw/zinc/38/91/79/627389179.db2.gz IWOHLNNTOXCJCL-DLBZAZTESA-N 0 3 299.418 2.497 20 30 CEEDHN Cc1cc(F)c(C#N)c(N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000892680145 627630927 /nfs/dbraw/zinc/63/09/27/627630927.db2.gz VIRIJAMNHUOPRC-CYBMUJFWSA-N 0 3 271.339 2.456 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C#C)cc2)C1 ZINC001025501616 627728674 /nfs/dbraw/zinc/72/86/74/627728674.db2.gz IMYILNGMVBCOOW-CRAIPNDOSA-N 0 3 294.398 2.131 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001025954859 627979139 /nfs/dbraw/zinc/97/91/39/627979139.db2.gz HZDDSPAKOWWESZ-FAHYXWLWSA-N 0 3 262.397 2.045 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001026150508 628053164 /nfs/dbraw/zinc/05/31/64/628053164.db2.gz STGCYIQLHDSFOB-HPCJDURASA-N 0 3 276.424 2.291 20 30 CEEDHN C#CC[C@H](CO)NCc1cc(Cl)c(OC)c(OCC)c1 ZINC000821206777 634655957 /nfs/dbraw/zinc/65/59/57/634655957.db2.gz INYYYIQTTILETO-GFCCVEGCSA-N 0 3 297.782 2.221 20 30 CEEDHN Cc1csc(NC(=O)N[C@H]2CCN(C)[C@H]2C)c1C#N ZINC000931411946 628557128 /nfs/dbraw/zinc/55/71/28/628557128.db2.gz UOASHWPHGBKSNJ-ONGXEEELSA-N 0 3 278.381 2.142 20 30 CEEDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NCCC#N)C1 ZINC000093210695 628603554 /nfs/dbraw/zinc/60/35/54/628603554.db2.gz 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/nfs/dbraw/zinc/31/74/59/629317459.db2.gz QDTJTZGRPMBWCS-SNVBAGLBSA-N 0 3 250.317 2.194 20 30 CEEDHN C#Cc1cccc(CN[C@@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000894776855 629629387 /nfs/dbraw/zinc/62/93/87/629629387.db2.gz XVVLYJKZGISBGV-HZPDHXFCSA-N 0 3 289.350 2.391 20 30 CEEDHN Cc1nsc(N2C[C@@]3(C)CN(C)C[C@@]3(C)C2)c1C#N ZINC000894799811 629647859 /nfs/dbraw/zinc/64/78/59/629647859.db2.gz BBPZOYDZGBNYPV-OKILXGFUSA-N 0 3 276.409 2.101 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)c2ccccc2SCC#N)CCN1C ZINC000928453030 629715420 /nfs/dbraw/zinc/71/54/20/629715420.db2.gz NVRWHDFZZZEBER-YPMHNXCESA-N 0 3 289.404 2.125 20 30 CEEDHN CCn1cnc(CN[C@@H]2Cc3ccc(C#N)cc3C2)c1 ZINC000902639696 634758513 /nfs/dbraw/zinc/75/85/13/634758513.db2.gz QXDQIUURFIQNGH-OAHLLOKOSA-N 0 3 266.348 2.032 20 30 CEEDHN Cc1nc([C@@H]2CCN(Cc3csc(C#N)c3)C2)n[nH]1 ZINC000894932574 629756680 /nfs/dbraw/zinc/75/66/80/629756680.db2.gz LXCWZWVAKCTFOQ-LLVKDONJSA-N 0 3 273.365 2.036 20 30 CEEDHN Cc1n[nH]c([C@@H]2CCN(Cc3csc(C#N)c3)C2)n1 ZINC000894932574 629756684 /nfs/dbraw/zinc/75/66/84/629756684.db2.gz LXCWZWVAKCTFOQ-LLVKDONJSA-N 0 3 273.365 2.036 20 30 CEEDHN Cc1nnc([C@@H]2CCN(Cc3csc(C#N)c3)C2)[nH]1 ZINC000894932574 629756689 /nfs/dbraw/zinc/75/66/89/629756689.db2.gz LXCWZWVAKCTFOQ-LLVKDONJSA-N 0 3 273.365 2.036 20 30 CEEDHN C#CCNC(=O)CN1CCC[C@@](C)(c2ccccc2)CC1 ZINC000796200659 629803264 /nfs/dbraw/zinc/80/32/64/629803264.db2.gz JBNBZUGYISVRGW-GOSISDBHSA-N 0 3 284.403 2.180 20 30 CEEDHN N#CC[C@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000796638163 629953172 /nfs/dbraw/zinc/95/31/72/629953172.db2.gz YWTYXBBFRBSFSX-UKRRQHHQSA-N 0 3 295.342 2.061 20 30 CEEDHN O=C1[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCN1[O-] ZINC000895160186 629977307 /nfs/dbraw/zinc/97/73/07/629977307.db2.gz KRVYSEISZHJIHV-OPRDCNLKSA-N 0 3 280.290 2.077 20 30 CEEDHN CSc1ccccc1C[C@@H](C)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895161561 629978946 /nfs/dbraw/zinc/97/89/46/629978946.db2.gz SHYHNHGJGAUBRK-YPMHNXCESA-N 0 3 294.420 2.309 20 30 CEEDHN Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCN([O-])C2=O)cc1 ZINC000895163262 629984323 /nfs/dbraw/zinc/98/43/23/629984323.db2.gz SQBQMBMPDAWTTQ-DZGCQCFKSA-N 0 3 276.380 2.286 20 30 CEEDHN C=CCC[C@H](CCC)N[C@@H](C)C1N=NC(=O)N1C ZINC000895174006 630001030 /nfs/dbraw/zinc/00/10/30/630001030.db2.gz CXTWMMQNQJOAER-QWRGUYRKSA-N 0 3 252.362 2.306 20 30 CEEDHN COCCN(C)N=C1CCCC[C@H]1N1CCCCC1 ZINC000794963470 630052327 /nfs/dbraw/zinc/05/23/27/630052327.db2.gz WXNWZMYXBUVCHI-OAHLLOKOSA-N 0 3 267.417 2.349 20 30 CEEDHN C#CC1(O)CCN(Cc2cccc(OCCC)c2)CC1 ZINC000895382818 630153518 /nfs/dbraw/zinc/15/35/18/630153518.db2.gz NCPDWKJSGRHPOI-UHFFFAOYSA-N 0 3 273.376 2.436 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1 ZINC000797549067 630287452 /nfs/dbraw/zinc/28/74/52/630287452.db2.gz ULROASXSJGAETM-ZGKBOVNRSA-N 0 3 284.359 2.270 20 30 CEEDHN C=C1CCC(C(=O)NCCN2CCCCC2)CC1 ZINC000895732059 630319987 /nfs/dbraw/zinc/31/99/87/630319987.db2.gz DVMRYYHNQDBLOP-UHFFFAOYSA-N 0 3 250.386 2.335 20 30 CEEDHN C=C1CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000896013750 630436895 /nfs/dbraw/zinc/43/68/95/630436895.db2.gz XBSZJPMQZUHPFL-HNNXBMFYSA-N 0 3 277.412 2.365 20 30 CEEDHN C#Cc1ccc(C(=O)NC2CCN(CC=C)CC2)cc1 ZINC000896208630 630499774 /nfs/dbraw/zinc/49/97/74/630499774.db2.gz KTWANYQLPOOMFN-UHFFFAOYSA-N 0 3 268.360 2.048 20 30 CEEDHN C[C@H](Cc1cnccn1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902779162 634824063 /nfs/dbraw/zinc/82/40/63/634824063.db2.gz POOWGWNWQHYJRV-NEPJUHHUSA-N 0 3 267.336 2.025 20 30 CEEDHN C#CCOc1ccc(CN2CCO[C@@H](C)CC2)cc1 ZINC000896585547 630604467 /nfs/dbraw/zinc/60/44/67/630604467.db2.gz VGBRTFKZXDBNGM-AWEZNQCLSA-N 0 3 259.349 2.309 20 30 CEEDHN COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@H](C)C#N)cc1 ZINC000896742357 630649650 /nfs/dbraw/zinc/64/96/50/630649650.db2.gz LILXIAIVBZUAOP-SWLSCSKDSA-N 0 3 289.379 2.010 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(C)c(C#N)c1 ZINC000799626978 631052629 /nfs/dbraw/zinc/05/26/29/631052629.db2.gz LQYDEKUNTLDXNX-MRXNPFEDSA-N 0 3 285.391 2.471 20 30 CEEDHN N#CC(C(=O)[C@@H]1CCCC(F)(F)C1)C(=O)N1CCCC1 ZINC000800384831 631117288 /nfs/dbraw/zinc/11/72/88/631117288.db2.gz LISSAZCGMUEAOI-MNOVXSKESA-N 0 3 284.306 2.143 20 30 CEEDHN C=C(C)CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000305797007 631119831 /nfs/dbraw/zinc/11/98/31/631119831.db2.gz FXAPJFBXJKRXKI-ZDUSSCGKSA-N 0 3 250.298 2.136 20 30 CEEDHN COc1cc(C)ccc1CNCCNc1ccc(C#N)cn1 ZINC000897396505 631282259 /nfs/dbraw/zinc/28/22/59/631282259.db2.gz MDYROODRIIRKOF-UHFFFAOYSA-N 0 3 296.374 2.472 20 30 CEEDHN CC/C=C\CCN1CCN(c2ccc(C#N)nc2)CC1 ZINC000801553163 631288312 /nfs/dbraw/zinc/28/83/12/631288312.db2.gz ZRSRWYLCRWXYRB-ARJAWSKDSA-N 0 3 270.380 2.432 20 30 CEEDHN C[C@H](C#N)OCCN1CCC(OC(C)(C)C)CC1 ZINC000801926243 631358399 /nfs/dbraw/zinc/35/83/99/631358399.db2.gz BVMHSFHUMNOSNB-GFCCVEGCSA-N 0 3 254.374 2.195 20 30 CEEDHN C#Cc1ccc(C(=O)N(CCC)CCN2CCCC2)cn1 ZINC000804443252 631683433 /nfs/dbraw/zinc/68/34/33/631683433.db2.gz VWVRKAREJBDDEO-UHFFFAOYSA-N 0 3 285.391 2.011 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CC2(c3ccccc3)CC2)C1 ZINC000988933805 631708876 /nfs/dbraw/zinc/70/88/76/631708876.db2.gz NDQLFKWNSJQLHG-DOTOQJQBSA-N 0 3 296.414 2.321 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2nccc3ccsc32)C1 ZINC000988985483 631714649 /nfs/dbraw/zinc/71/46/49/631714649.db2.gz KSPYMJJKPCLBMA-DGCLKSJQSA-N 0 3 299.399 2.122 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(C)cc(Cl)c2)C1 ZINC000989186893 631745844 /nfs/dbraw/zinc/74/58/44/631745844.db2.gz IXCQFGYLLLYAJP-WFASDCNBSA-N 0 3 290.794 2.474 20 30 CEEDHN C#C[C@H](CC)NC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000897554408 631775960 /nfs/dbraw/zinc/77/59/60/631775960.db2.gz CNNKJSARYQLJHF-ZBFHGGJFSA-N 0 3 288.391 2.262 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C)c(Cl)c2)C1 ZINC000989397277 631809568 /nfs/dbraw/zinc/80/95/68/631809568.db2.gz JGUAPJJATPLPGM-TZMCWYRMSA-N 0 3 290.794 2.474 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2cc(C)cc(C)c2)C1 ZINC000989403248 631815259 /nfs/dbraw/zinc/81/52/59/631815259.db2.gz 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/nfs/dbraw/zinc/20/00/97/632200097.db2.gz OIHOLNBKKIYJEN-KSSFIOAISA-N 0 3 294.398 2.472 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929162132 632207048 /nfs/dbraw/zinc/20/70/48/632207048.db2.gz ICSUUTYIFYBYGH-ULQDDVLXSA-N 0 3 273.376 2.479 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2cn3ccccc3n2)CC1 ZINC000989607652 632211356 /nfs/dbraw/zinc/21/13/56/632211356.db2.gz VRVAIPRUQAFYHN-UHFFFAOYSA-N 0 3 298.390 2.058 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc3ccn(C)c3c2)C1 ZINC000989643649 632216536 /nfs/dbraw/zinc/21/65/36/632216536.db2.gz SSYGFJKHUBLJDL-CZUORRHYSA-N 0 3 295.386 2.004 20 30 CEEDHN C=C(C)CN1CCCN(C(=O)CCc2nccs2)CC1 ZINC000989694183 632227477 /nfs/dbraw/zinc/22/74/77/632227477.db2.gz DQRDYEHJSJNIEY-UHFFFAOYSA-N 0 3 293.436 2.186 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C(F)F)o2)C1 ZINC000989734186 632232447 /nfs/dbraw/zinc/23/24/47/632232447.db2.gz QWRLPSDOURSETM-UWVGGRQHSA-N 0 3 282.290 2.043 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc(C3CC3)c2)C1 ZINC000989835516 632249548 /nfs/dbraw/zinc/24/95/48/632249548.db2.gz SWOPPTWAXHATGJ-SUMWQHHRSA-N 0 3 282.387 2.390 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc3c2CCC3)C1 ZINC000989847386 632253206 /nfs/dbraw/zinc/25/32/06/632253206.db2.gz LCTKOTCMHLELKC-DZGCQCFKSA-N 0 3 282.387 2.001 20 30 CEEDHN C=CCCCCCN(C)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000925325810 632274940 /nfs/dbraw/zinc/27/49/40/632274940.db2.gz SMDBMUWMGXSCPR-KBPBESRZSA-N 0 3 267.417 2.467 20 30 CEEDHN C#CCC[N@@H+]1CC[C@]2(NC(=O)c3ccccc3[O-])CCC[C@H]12 ZINC000989960999 632290017 /nfs/dbraw/zinc/29/00/17/632290017.db2.gz PTXAOTUXNBWFTL-FUHWJXTLSA-N 0 3 298.386 2.142 20 30 CEEDHN C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccccc3[O-])CCC[C@H]12 ZINC000989960999 632290021 /nfs/dbraw/zinc/29/00/21/632290021.db2.gz PTXAOTUXNBWFTL-FUHWJXTLSA-N 0 3 298.386 2.142 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)C3CC=CC3)CCC[C@H]12 ZINC000990096963 632310872 /nfs/dbraw/zinc/31/08/72/632310872.db2.gz QAHVMRUXDGZDBC-RDJZCZTQSA-N 0 3 272.392 2.089 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CCC[C@@H]12 ZINC000990136580 632319049 /nfs/dbraw/zinc/31/90/49/632319049.db2.gz PEYUWZKNONWLJJ-RIUYPTKQSA-N 0 3 286.419 2.169 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)C3CC(C)C3)CCC[C@H]12 ZINC000990176021 632323980 /nfs/dbraw/zinc/32/39/80/632323980.db2.gz MCRVMFASFYDHGG-UJJWPFCGSA-N 0 3 262.397 2.332 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](C)n3cccc3)CCC[C@@H]12 ZINC000990236982 632328566 /nfs/dbraw/zinc/32/85/66/632328566.db2.gz MYJRWFQEYQEMKO-LZLYRXPVSA-N 0 3 299.418 2.186 20 30 CEEDHN C[C@]12CSC[C@H]1CN(Cc1cccc(C#N)n1)C2 ZINC000898419753 632489788 /nfs/dbraw/zinc/48/97/88/632489788.db2.gz HOPIFUORGSESEJ-RISCZKNCSA-N 0 3 259.378 2.138 20 30 CEEDHN C#CCON=C1CCN(CCc2ccc(F)cc2)CC1 ZINC000812233775 632496402 /nfs/dbraw/zinc/49/64/02/632496402.db2.gz DHTFKYRTUFUCIX-UHFFFAOYSA-N 0 3 274.339 2.470 20 30 CEEDHN C=C1CN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000898693686 632582343 /nfs/dbraw/zinc/58/23/43/632582343.db2.gz ZCBZONHNAIHFIG-HNNXBMFYSA-N 0 3 288.366 2.436 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCC#N)c1 ZINC000813060016 632611948 /nfs/dbraw/zinc/61/19/48/632611948.db2.gz NQYDKGANBUSGPG-ZDUSSCGKSA-N 0 3 269.304 2.336 20 30 CEEDHN N#Cc1csc(CNCCO[C@@H]2CCCCO2)c1 ZINC000813333216 632672179 /nfs/dbraw/zinc/67/21/79/632672179.db2.gz KTEPPIXQOUHEHB-CYBMUJFWSA-N 0 3 266.366 2.253 20 30 CEEDHN CCC[C@H](C#N)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000813431715 632690883 /nfs/dbraw/zinc/69/08/83/632690883.db2.gz MCCFEZONOHQZFX-RDBSUJKOSA-N 0 3 286.331 2.099 20 30 CEEDHN C=C1CCC(C(=O)N2CC[C@H]3[C@H]2CCCN3C)CC1 ZINC000899198307 632734249 /nfs/dbraw/zinc/73/42/49/632734249.db2.gz AXSORSJYROKIKT-LSDHHAIUSA-N 0 3 262.397 2.428 20 30 CEEDHN N#CCCC[C@H](NCC(=O)NCCC#N)c1ccccc1 ZINC000814659692 632876248 /nfs/dbraw/zinc/87/62/48/632876248.db2.gz PKWFEUIXUHEJIM-HNNXBMFYSA-N 0 3 284.363 2.041 20 30 CEEDHN Cc1sccc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000814885771 632914478 /nfs/dbraw/zinc/91/44/78/632914478.db2.gz JOAUNNDQIBFBPR-TXEJJXNPSA-N 0 3 262.382 2.250 20 30 CEEDHN C=C1CCC(C(=O)N(C)[C@@H]2CN3CCC2CC3)CC1 ZINC000900659977 633795673 /nfs/dbraw/zinc/79/56/73/633795673.db2.gz BURZPFAIYUKWIK-OAHLLOKOSA-N 0 3 262.397 2.285 20 30 CEEDHN C[C@@H]1CN(C(=O)[C@@H](N)CCCC#N)Cc2ccccc21 ZINC000818048972 633849552 /nfs/dbraw/zinc/84/95/52/633849552.db2.gz YQAVUBPWBICKNS-DOMZBBRYSA-N 0 3 271.364 2.153 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCc1ccc(CC)cc1 ZINC000818611855 633959804 /nfs/dbraw/zinc/95/98/04/633959804.db2.gz FPHQYPQNXHRXFS-UHFFFAOYSA-N 0 3 286.419 2.253 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](O)CCc2ccccc2)nc1 ZINC000819312831 634135970 /nfs/dbraw/zinc/13/59/70/634135970.db2.gz WQLLJZKUHBGCQT-KRWDZBQOSA-N 0 3 281.359 2.037 20 30 CEEDHN C=C1CCC(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000901572069 634195422 /nfs/dbraw/zinc/19/54/22/634195422.db2.gz GTUQEARKDQAOSX-MRXNPFEDSA-N 0 3 283.375 2.421 20 30 CEEDHN N#Cc1ccc([C@H](NCCC2CC=CC2)C(N)=O)cc1 ZINC000901585214 634202600 /nfs/dbraw/zinc/20/26/00/634202600.db2.gz JJLPDOCSZOZJFL-HNNXBMFYSA-N 0 3 269.348 2.031 20 30 CEEDHN CC[C@@H](N[C@H](CC)c1cccc(C#N)c1)C(=O)NC ZINC000903014916 634925621 /nfs/dbraw/zinc/92/56/21/634925621.db2.gz BEWGEDDYLACABP-ZIAGYGMSSA-N 0 3 259.353 2.124 20 30 CEEDHN COC1([C@@H](C)N[C@H](C)c2cc(C#N)ccn2)CCOCC1 ZINC000903022541 634944854 /nfs/dbraw/zinc/94/48/54/634944854.db2.gz JYFIAZQHNMOKSE-CHWSQXEVSA-N 0 3 289.379 2.188 20 30 CEEDHN C=C[C@H](CO)N[C@H]1C[C@@H](C)Cc2cc(OC)ccc21 ZINC000903055889 634948415 /nfs/dbraw/zinc/94/84/15/634948415.db2.gz DPOMIWJMVUHRGT-GHJWDPDVSA-N 0 3 261.365 2.455 20 30 CEEDHN C[C@@H](NC[C@H]1CC(C)(C)CO1)c1cc(C#N)ccn1 ZINC000903084686 634962057 /nfs/dbraw/zinc/96/20/57/634962057.db2.gz HEQAUOBBJMPOQW-DGCLKSJQSA-N 0 3 259.353 2.419 20 30 CEEDHN COC1([C@H](C)NCC2(C#N)CCCC2)CCOCC1 ZINC000903109833 634973558 /nfs/dbraw/zinc/97/35/58/634973558.db2.gz WNAVGUZTVAVSQE-ZDUSSCGKSA-N 0 3 266.385 2.244 20 30 CEEDHN CN(C)c1ccnc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000903199441 635009492 /nfs/dbraw/zinc/00/94/92/635009492.db2.gz XMAIZSYRTORJLC-OLZOCXBDSA-N 0 3 258.369 2.320 20 30 CEEDHN CC(C)[C@@H]1COCC[C@H]1NCc1nc(C#N)cs1 ZINC000903263276 635035564 /nfs/dbraw/zinc/03/55/64/635035564.db2.gz KZWNVZRBSBFKJS-NWDGAFQWSA-N 0 3 265.382 2.165 20 30 CEEDHN N#Cc1csc(CN[C@H]2CCCC[C@H]2CCCO)n1 ZINC000903264034 635035669 /nfs/dbraw/zinc/03/56/69/635035669.db2.gz QPUQRZNDCKAEOS-AAEUAGOBSA-N 0 3 279.409 2.436 20 30 CEEDHN COC(=O)C1(C#N)CCN(CCCC(C)C)CC1 ZINC000824871109 635516732 /nfs/dbraw/zinc/51/67/32/635516732.db2.gz BPWUSXNOBXEDRJ-UHFFFAOYSA-N 0 3 252.358 2.201 20 30 CEEDHN CNC(=O)c1cccc(CN[C@@H](C)CC(C)(C)C#N)c1 ZINC000924796720 635527476 /nfs/dbraw/zinc/52/74/76/635527476.db2.gz BWMVADYSOQMGJO-LBPRGKRZSA-N 0 3 273.380 2.464 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)C#Cc1cccs1 ZINC000825098338 635566567 /nfs/dbraw/zinc/56/65/67/635566567.db2.gz HGAXTAWXADKOIC-ZDUSSCGKSA-N 0 3 276.405 2.090 20 30 CEEDHN CNC(=O)C1(NCc2ccc(C3(C#N)CC3)cc2)CCCC1 ZINC000825555574 635663009 /nfs/dbraw/zinc/66/30/09/635663009.db2.gz IVLFPHMXOVRSEP-UHFFFAOYSA-N 0 3 297.402 2.390 20 30 CEEDHN C#CC[C@H]1CCCN(C(=O)NCCN2CCC(C)CC2)C1 ZINC000825701772 635697733 /nfs/dbraw/zinc/69/77/33/635697733.db2.gz DJLXTBYXWIZCLN-INIZCTEOSA-N 0 3 291.439 2.163 20 30 CEEDHN COCCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905079273 635796113 /nfs/dbraw/zinc/79/61/13/635796113.db2.gz AEHDXMWHNYQXBG-ZECSTPGPSA-N 0 3 299.330 2.144 20 30 CEEDHN Cc1cn2c(/C=C3\C(=O)c4ncnn4C3C)c(C)nc2s1 ZINC000905079336 635796323 /nfs/dbraw/zinc/79/63/23/635796323.db2.gz BHKWOTOZPULLKA-BABIGQSTSA-N 0 3 299.359 2.445 20 30 CEEDHN COc1cc(/C=C2/C(=O)c3ncnn3C2C)ccc1C ZINC000905085037 635798997 /nfs/dbraw/zinc/79/89/97/635798997.db2.gz LNINDVZYQBPRCY-PQTFEYQYSA-N 0 3 269.304 2.436 20 30 CEEDHN COCc1csc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905084645 635799152 /nfs/dbraw/zinc/79/91/52/635799152.db2.gz JRFGZSGLSZZMAJ-UMWYPWBCSA-N 0 3 275.333 2.327 20 30 CEEDHN Cc1nn(C(C)C)cc1/C=C1/C(=O)c2ncnn2C1C ZINC000905085608 635799511 /nfs/dbraw/zinc/79/95/11/635799511.db2.gz OSDBWNHAXXXDRB-YIVIPITNSA-N 0 3 271.324 2.205 20 30 CEEDHN C#CCCN(CCOC)Cc1ccc(OC)c(OC)c1 ZINC000827818942 636433021 /nfs/dbraw/zinc/43/30/21/636433021.db2.gz XCRFHXYPLRUGFJ-UHFFFAOYSA-N 0 3 277.364 2.176 20 30 CEEDHN C#CCCN(CCOC)Cc1ccc(O)c(OCC)c1 ZINC000827827764 636435919 /nfs/dbraw/zinc/43/59/19/636435919.db2.gz XXZZGECGKURXHW-UHFFFAOYSA-N 0 3 277.364 2.263 20 30 CEEDHN C#C[C@H](NCCc1c(F)cccc1F)[C@H]1CCCO1 ZINC000828307678 636566932 /nfs/dbraw/zinc/56/69/32/636566932.db2.gz UXXNYMVKKVFZJL-LSDHHAIUSA-N 0 3 265.303 2.278 20 30 CEEDHN C[C@H]1CCCN1CCNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000828840304 636696915 /nfs/dbraw/zinc/69/69/15/636696915.db2.gz OTTLDJRBIOVVNV-BBRMVZONSA-N 0 3 275.396 2.061 20 30 CEEDHN C#C[C@H](NC[C@H](Cc1ccccc1)OC)[C@H]1CCCO1 ZINC000828954452 636734936 /nfs/dbraw/zinc/73/49/36/636734936.db2.gz SYYCPHKGMXBSEQ-YESZJQIVSA-N 0 3 273.376 2.015 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cnc3cccc(C)n32)CC1 ZINC000906593289 636795873 /nfs/dbraw/zinc/79/58/73/636795873.db2.gz SPIWFAUCNWKRFB-UHFFFAOYSA-N 0 3 298.390 2.023 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000829512053 636870926 /nfs/dbraw/zinc/87/09/26/636870926.db2.gz DQKGEGFQBRMIAO-IRXDYDNUSA-N 0 3 297.402 2.016 20 30 CEEDHN C#CC[C@H]1CCCN(CC(=O)NCc2ccccc2)C1 ZINC000829774696 636926677 /nfs/dbraw/zinc/92/66/77/636926677.db2.gz SEKDJRFFLXSMMQ-INIZCTEOSA-N 0 3 270.376 2.038 20 30 CEEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)N[C@H](C)CCC)C1 ZINC000829774703 636927061 /nfs/dbraw/zinc/92/70/61/636927061.db2.gz SFUGBWLNQDREHE-RBSFLKMASA-N 0 3 264.413 2.415 20 30 CEEDHN C[C@@H](NCC(=O)NCCC#N)c1cccc(C2CC2)c1 ZINC000830184393 637002371 /nfs/dbraw/zinc/00/23/71/637002371.db2.gz CIZKRLDCFHRMIZ-GFCCVEGCSA-N 0 3 271.364 2.244 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)C(C)(C)N1CCCCC1 ZINC000907389721 637007236 /nfs/dbraw/zinc/00/72/36/637007236.db2.gz TZUJOOKQJOUNTM-LBPRGKRZSA-N 0 3 251.374 2.059 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)c1cc(C#N)ccc1F ZINC000830856309 637179458 /nfs/dbraw/zinc/17/94/58/637179458.db2.gz LHKWYBZFVJDRQG-UHFFFAOYSA-N 0 3 277.343 2.110 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(OC)c1 ZINC000876545060 650316135 /nfs/dbraw/zinc/31/61/35/650316135.db2.gz HBDBIYTYLPXFRX-NSHDSACASA-N 0 3 254.717 2.104 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000876546334 650317273 /nfs/dbraw/zinc/31/72/73/650317273.db2.gz IGSXZFBLVOKYNF-GFCCVEGCSA-N 0 3 296.754 2.272 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000876596179 650352067 /nfs/dbraw/zinc/35/20/67/650352067.db2.gz FRFQLLUTJHNFJY-BXKDBHETSA-N 0 3 256.777 2.246 20 30 CEEDHN C=CCN(CC(F)(F)F)C(=O)[C@@H](N)CC(=C)Cl ZINC000876618238 650361960 /nfs/dbraw/zinc/36/19/60/650361960.db2.gz NZWSMRHUMYQTER-QMMMGPOBSA-N 0 3 270.682 2.033 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1C1CCC1 ZINC000876636523 650370031 /nfs/dbraw/zinc/37/00/31/650370031.db2.gz IZWFTZQDKUCMKM-RYUDHWBXSA-N 0 3 256.777 2.247 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000876649585 650375000 /nfs/dbraw/zinc/37/50/00/650375000.db2.gz ADJHGEUSTYTGJU-CHWSQXEVSA-N 0 3 282.746 2.399 20 30 CEEDHN C=CCONC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000834924124 637990521 /nfs/dbraw/zinc/99/05/21/637990521.db2.gz XTNBWLJDPSBXKO-OAHLLOKOSA-N 0 3 289.379 2.240 20 30 CEEDHN CO[C@@H](C=Nn1cnc2ccccc21)C1CCOCC1 ZINC000834932937 637992235 /nfs/dbraw/zinc/99/22/35/637992235.db2.gz IEODWABRFMQMGH-HNNXBMFYSA-N 0 3 273.336 2.312 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cnn(C(C)C)c1 ZINC000876660614 650384175 /nfs/dbraw/zinc/38/41/75/650384175.db2.gz WAECQQPZLGZZPA-ZYHUDNBSSA-N 0 3 284.791 2.111 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCOC1CCCCCC1 ZINC000876662925 650385485 /nfs/dbraw/zinc/38/54/85/650385485.db2.gz SXHNIENNEVLADG-CYBMUJFWSA-N 0 3 288.819 2.312 20 30 CEEDHN N#CC(C(=O)CSC(F)F)C(=O)Nc1ccccc1 ZINC000835062916 638044301 /nfs/dbraw/zinc/04/43/01/638044301.db2.gz GHQIIZXIJPOQPY-SECBINFHSA-N 0 3 284.287 2.290 20 30 CEEDHN CCC[C@@H](OC)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000835064358 638046006 /nfs/dbraw/zinc/04/60/06/638046006.db2.gz VTXLBPYAQOJIAE-ZIAGYGMSSA-N 0 3 288.347 2.458 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000876670639 650392050 /nfs/dbraw/zinc/39/20/50/650392050.db2.gz OOAYCZYDBMTATC-USWWRNFRSA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)c1nc(C)cs1 ZINC000876674158 650393541 /nfs/dbraw/zinc/39/35/41/650393541.db2.gz BPYCBMVQGZKSJC-SECBINFHSA-N 0 3 273.789 2.274 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1COc2ccc(C)cc21 ZINC000876689405 650401120 /nfs/dbraw/zinc/40/11/20/650401120.db2.gz YISYFIPLPTTXAF-NEPJUHHUSA-N 0 3 280.755 2.015 20 30 CEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3ccsn3)CCC[C@@H]12 ZINC000991294644 638197301 /nfs/dbraw/zinc/19/73/01/638197301.db2.gz BWAVLKGXUWCNEW-UKRRQHHQSA-N 0 3 291.420 2.446 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C[C@@H](O)c1ccccc1 ZINC000876688157 650400071 /nfs/dbraw/zinc/40/00/71/650400071.db2.gz VNWVEMIAQSASRU-KWCYVHTRSA-N 0 3 296.798 2.085 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCOCc1ccccc1 ZINC000876703788 650406219 /nfs/dbraw/zinc/40/62/19/650406219.db2.gz NYVBPJXHJPQLBZ-AWEZNQCLSA-N 0 3 296.798 2.132 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@@H](OC)C1(CC)CC ZINC000876703274 650406384 /nfs/dbraw/zinc/40/63/84/650406384.db2.gz JXQDTRQSQDXZNJ-SDDRHHMPSA-N 0 3 288.819 2.166 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3CCCC34CC4)CCC[C@H]12 ZINC000991355538 638433685 /nfs/dbraw/zinc/43/36/85/638433685.db2.gz BRYUXBVTBUJEFE-RLFYNMQTSA-N 0 3 286.419 2.313 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000911924060 638467696 /nfs/dbraw/zinc/46/76/96/638467696.db2.gz TYNCOUSGXVGIGD-CQSZACIVSA-N 0 3 290.363 2.485 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(N(C)C)cc1C ZINC000876768850 650426249 /nfs/dbraw/zinc/42/62/49/650426249.db2.gz ZTWXSEAJCIPWLG-AWEZNQCLSA-N 0 3 295.814 2.147 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C)c2cc(F)ccc21 ZINC000876778648 650429217 /nfs/dbraw/zinc/42/92/17/650429217.db2.gz KVIWPFNSIKDALN-LLVKDONJSA-N 0 3 297.761 2.078 20 30 CEEDHN N#Cc1sccc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000912066074 638530693 /nfs/dbraw/zinc/53/06/93/638530693.db2.gz PNQPGYWSSFRYNK-STQMWFEESA-N 0 3 289.404 2.366 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000912050206 638535851 /nfs/dbraw/zinc/53/58/51/638535851.db2.gz QRQZUXNFDLHJFW-WCQYABFASA-N 0 3 276.384 2.476 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H]1COc2ccccc2C1 ZINC000912116521 638558814 /nfs/dbraw/zinc/55/88/14/638558814.db2.gz MBWHVEUDNRUUGE-UKRRQHHQSA-N 0 3 288.391 2.038 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CCC2(CCCCC2)CC1 ZINC000102410763 638608140 /nfs/dbraw/zinc/60/81/40/638608140.db2.gz WWKCCCWDSKIWKL-AWEZNQCLSA-N 0 3 262.397 2.171 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000912217097 638613163 /nfs/dbraw/zinc/61/31/63/638613163.db2.gz BLUAVPPYQMDVBO-AWEZNQCLSA-N 0 3 284.363 2.494 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1cccc(O)c1 ZINC000912359396 638658682 /nfs/dbraw/zinc/65/86/82/638658682.db2.gz ODTSQVJAROTXML-CQSZACIVSA-N 0 3 262.353 2.034 20 30 CEEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc(=O)n(C)c1 ZINC000912422658 638688933 /nfs/dbraw/zinc/68/89/33/638688933.db2.gz FSKHCXRESHJAFM-CQSZACIVSA-N 0 3 293.411 2.402 20 30 CEEDHN N#CC1(C(=O)NC[C@@H]2NCCc3ccccc32)CC2(CC2)C1 ZINC000876845713 650456452 /nfs/dbraw/zinc/45/64/52/650456452.db2.gz HNNHSESXBSEJOJ-HNNXBMFYSA-N 0 3 295.386 2.074 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccc(F)c(F)c1 ZINC000876850262 650458252 /nfs/dbraw/zinc/45/82/52/650458252.db2.gz MOIIAAVDZNHHJJ-LBPRGKRZSA-N 0 3 288.725 2.093 20 30 CEEDHN Cc1cccc(CN(CCN(C)C)C(=O)C#CC2CC2)c1 ZINC000837395556 639213177 /nfs/dbraw/zinc/21/31/77/639213177.db2.gz PAXIMSTYZMJWHU-UHFFFAOYSA-N 0 3 284.403 2.299 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CC12CCSCC2 ZINC000876926662 650488601 /nfs/dbraw/zinc/48/86/01/650488601.db2.gz BYHOUZIHTDGMNB-WDEREUQCSA-N 0 3 288.844 2.106 20 30 CEEDHN C#CCC(CC#C)C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000837716419 639355287 /nfs/dbraw/zinc/35/52/87/639355287.db2.gz MNTCFUXSYSBGLB-GOSISDBHSA-N 0 3 295.382 2.467 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC(C)(C)[C@H]1c1ccncc1 ZINC000876982916 650518049 /nfs/dbraw/zinc/51/80/49/650518049.db2.gz JJWYDLMKFWRTCB-CHWSQXEVSA-N 0 3 293.798 2.461 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000876992700 650522375 /nfs/dbraw/zinc/52/23/75/650522375.db2.gz HYPDOFHNEGJJFK-KHQFGBGNSA-N 0 3 280.746 2.206 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc2c1OCC2 ZINC000877005647 650527959 /nfs/dbraw/zinc/52/79/59/650527959.db2.gz KJPYHZMPQNNERS-SNVBAGLBSA-N 0 3 266.728 2.030 20 30 CEEDHN C[C@@H](O)CN(C)N=C1CCCC[C@@H]1N1CCCCC1 ZINC000841649826 639819713 /nfs/dbraw/zinc/81/97/13/639819713.db2.gz BQSUJILQBRCLPZ-HIFRSBDPSA-N 0 3 267.417 2.084 20 30 CEEDHN C#CCSCCNCc1ncc(C)c(OC)c1C ZINC000231949165 639887493 /nfs/dbraw/zinc/88/74/93/639887493.db2.gz WAXSKDFJBKMXMT-UHFFFAOYSA-N 0 3 264.394 2.163 20 30 CEEDHN C#CCCCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000174117950 639900400 /nfs/dbraw/zinc/90/04/00/639900400.db2.gz DSSXGTRWDGHKRD-HNNXBMFYSA-N 0 3 273.380 2.002 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3CCC3(C)C)CCC[C@@H]12 ZINC000992112159 639963191 /nfs/dbraw/zinc/96/31/91/639963191.db2.gz AQXHWMXWJDLTBG-JJRVBVJISA-N 0 3 274.408 2.169 20 30 CEEDHN CN(CCOCC1CCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000842154993 639968000 /nfs/dbraw/zinc/96/80/00/639968000.db2.gz ZWPWCQXQPHAUGE-QGZVFWFLSA-N 0 3 288.391 2.340 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)C3CCC(=C)CC3)CCC[C@H]12 ZINC000992156502 639976354 /nfs/dbraw/zinc/97/63/54/639976354.db2.gz WIPAOLFQVPMEQH-WMZOPIPTSA-N 0 3 286.419 2.479 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CC34CC4)CCC[C@@H]12 ZINC000992281957 640012834 /nfs/dbraw/zinc/01/28/34/640012834.db2.gz DFNKNNOCTKUJHV-WOSRLPQWSA-N 0 3 260.381 2.086 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(OC)o3)CCC[C@H]12 ZINC000992363643 640033709 /nfs/dbraw/zinc/03/37/09/640033709.db2.gz IETWRWGSTPODLA-BBRMVZONSA-N 0 3 290.363 2.201 20 30 CEEDHN C[C@@H](CO)N(C)N=C/C=C/c1ccc(N(C)C)cc1 ZINC000842538030 640093481 /nfs/dbraw/zinc/09/34/81/640093481.db2.gz HSRMTACEGVHNGN-QDXMMYCXSA-N 0 3 261.369 2.064 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)Cc3ccccc3C)CCC[C@@H]12 ZINC000992467027 640098228 /nfs/dbraw/zinc/09/82/28/640098228.db2.gz UDEDAZCVLCIENQ-IEBWSBKVSA-N 0 3 296.414 2.284 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CCC(=O)C3)nc21 ZINC000842723543 640159451 /nfs/dbraw/zinc/15/94/51/640159451.db2.gz ZGHFMDVQYSOPNB-ZYHUDNBSSA-N 0 3 281.315 2.417 20 30 CEEDHN N#Cc1cnc(Cl)c(CNCC2(CCO)CCC2)c1 ZINC000877091793 650568234 /nfs/dbraw/zinc/56/82/34/650568234.db2.gz PUZPTNACZPYNJF-UHFFFAOYSA-N 0 3 279.771 2.249 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccncc2)[C@H]1C ZINC000992952260 640380867 /nfs/dbraw/zinc/38/08/67/640380867.db2.gz OSDGEYPJEDCHGW-HIFRSBDPSA-N 0 3 273.380 2.240 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(C)o2)[C@@H]1C ZINC000993003157 640399405 /nfs/dbraw/zinc/39/94/05/640399405.db2.gz KAHHSRULBGICDX-KBPBESRZSA-N 0 3 274.364 2.194 20 30 CEEDHN C#CC[C@H]1CCCN(Cc2ccc(C(=O)OC)[nH]2)C1 ZINC000843424458 640424404 /nfs/dbraw/zinc/42/44/04/640424404.db2.gz UUKDJBBMIXCMQW-LBPRGKRZSA-N 0 3 260.337 2.037 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cc(C)on2)[C@H]1C ZINC000993148197 640483882 /nfs/dbraw/zinc/48/38/82/640483882.db2.gz BEZJJLGVRNJXAO-HIFRSBDPSA-N 0 3 291.395 2.071 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccnn2CC)[C@H]1C ZINC000993284319 640572490 /nfs/dbraw/zinc/57/24/90/640572490.db2.gz RDWBQNIIYFSAIR-ZIAGYGMSSA-N 0 3 290.411 2.062 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2coc(C)c2)[C@@H]1C ZINC000993299369 640574128 /nfs/dbraw/zinc/57/41/28/640574128.db2.gz ICZSPBQQRWYLBG-DZGCQCFKSA-N 0 3 274.364 2.194 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001015645199 640596108 /nfs/dbraw/zinc/59/61/08/640596108.db2.gz BAEBCLZCXUCJLS-KRWDZBQOSA-N 0 3 298.430 2.368 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C2(F)CCCC2)[C@H]1C ZINC000993503507 640650379 /nfs/dbraw/zinc/65/03/79/640650379.db2.gz PHUFYFYCUXKZCY-KGLIPLIRSA-N 0 3 280.387 2.261 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2[nH]c(C)cc2C)[C@H]1C ZINC000993490964 640653677 /nfs/dbraw/zinc/65/36/77/640653677.db2.gz UOADUHYEMIYRPB-CABCVRRESA-N 0 3 287.407 2.238 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccco2)[C@H]1C ZINC000994059803 640692356 /nfs/dbraw/zinc/69/23/56/640692356.db2.gz UEGDSJQQQQYZJF-UKRRQHHQSA-N 0 3 276.380 2.367 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc3c([nH]2)CCC3)[C@@H]1C ZINC000994218844 640700157 /nfs/dbraw/zinc/70/01/57/640700157.db2.gz LDUSYCZAKICTSD-ZFWWWQNUSA-N 0 3 299.418 2.109 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](CC)c1ccccc1F ZINC000844394918 640706310 /nfs/dbraw/zinc/70/63/10/640706310.db2.gz ZEQNEJABHIQJNJ-AWEZNQCLSA-N 0 3 262.328 2.006 20 30 CEEDHN CCCNN=Cc1ccc(N(CC)CCO)cc1C ZINC000915965852 640715505 /nfs/dbraw/zinc/71/55/05/640715505.db2.gz QXOBISOMARUFNI-UHFFFAOYSA-N 0 3 263.385 2.147 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)COC1CCCC1 ZINC000916874623 640826452 /nfs/dbraw/zinc/82/64/52/640826452.db2.gz GKENPDDNYTYPKI-AWEZNQCLSA-N 0 3 294.395 2.351 20 30 CEEDHN CCC(=O)N[C@H]1CC[C@H](CNCc2ccccc2C#N)C1 ZINC000994563402 640949287 /nfs/dbraw/zinc/94/92/87/640949287.db2.gz WSSPQNPMZXQRAM-BBRMVZONSA-N 0 3 285.391 2.343 20 30 CEEDHN C=C1CCC(CNC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000918881739 640999730 /nfs/dbraw/zinc/99/97/30/640999730.db2.gz JLMKIOMKDUYECQ-AWEZNQCLSA-N 0 3 277.412 2.269 20 30 CEEDHN N#CC(C(=O)Cc1cc2ccccc2o1)C(=O)N1CCCC1 ZINC000920107092 641116182 /nfs/dbraw/zinc/11/61/82/641116182.db2.gz NADQTDCNGJBWOQ-AWEZNQCLSA-N 0 3 296.326 2.307 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCC[C@H]1C=CCC1 ZINC000877307794 650666144 /nfs/dbraw/zinc/66/61/44/650666144.db2.gz MJSTUGUVJWGRJK-NWDGAFQWSA-N 0 3 256.777 2.319 20 30 CEEDHN CN(Cc1ccc(C#N)cn1)C[C@@]1(O)CCc2ccccc21 ZINC000847005696 641518657 /nfs/dbraw/zinc/51/86/57/641518657.db2.gz UHGBHNWORSCPCU-SFHVURJKSA-N 0 3 293.370 2.219 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCC[C@@H]1C=CCC1 ZINC000877308737 650667708 /nfs/dbraw/zinc/66/77/08/650667708.db2.gz YJQGIEAKYQAGDS-KGLIPLIRSA-N 0 3 263.385 2.260 20 30 CEEDHN Cc1cc(N=NC2CCCN3CCCC[C@H]23)ncn1 ZINC000848405939 641979562 /nfs/dbraw/zinc/97/95/62/641979562.db2.gz DYROKPIDOCLPKM-CYBMUJFWSA-N 0 3 259.357 2.201 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)C2CC3(CCC3)C2)CC1 ZINC000997258168 642236771 /nfs/dbraw/zinc/23/67/71/642236771.db2.gz KZDMRFHVGZUMBX-CQSZACIVSA-N 0 3 288.435 2.417 20 30 CEEDHN C=C[C@@](C)(O)c1cn([C@@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000849151203 642269334 /nfs/dbraw/zinc/26/93/34/642269334.db2.gz XZQUVSDWJCWJDM-NVXWUHKLSA-N 0 3 298.390 2.119 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H]2CCCC23CC3)CC1 ZINC000997641377 642313108 /nfs/dbraw/zinc/31/31/08/642313108.db2.gz YLIUAIPNEXSPTK-GOEBONIOSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)c2occc2CC)CC1 ZINC000997733705 642320084 /nfs/dbraw/zinc/32/00/84/642320084.db2.gz CBOASQPKXXEVJY-ZDUSSCGKSA-N 0 3 288.391 2.306 20 30 CEEDHN C#CCCCCCCN1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000877481154 650742534 /nfs/dbraw/zinc/74/25/34/650742534.db2.gz WTPDFTASVABBFQ-OAHLLOKOSA-N 0 3 285.453 2.469 20 30 CEEDHN C=CCN1CCC[C@@H](N(CC)C(=O)c2nocc2C)CC1 ZINC000998174085 642372287 /nfs/dbraw/zinc/37/22/87/642372287.db2.gz MWDZAAVEHXVMTI-CQSZACIVSA-N 0 3 291.395 2.486 20 30 CEEDHN C=C(C)CN[C@@H]1CN(C(=O)CC)CC[C@@H]1C(F)(F)F ZINC000998224571 642376206 /nfs/dbraw/zinc/37/62/06/642376206.db2.gz MCEVSWUAYXZHED-WDEREUQCSA-N 0 3 278.318 2.342 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)CCC)CC[C@@H]1C(F)(F)F ZINC000998241426 642377304 /nfs/dbraw/zinc/37/73/04/642377304.db2.gz VMRCDJDUUMAGLK-WDEREUQCSA-N 0 3 278.318 2.342 20 30 CEEDHN C=CCN[C@H]1CN(C(=O)CCC)CC[C@H]1C(F)(F)F ZINC000998241418 642377717 /nfs/dbraw/zinc/37/77/17/642377717.db2.gz VMRCDJDUUMAGLK-MNOVXSKESA-N 0 3 278.318 2.342 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC2CC2)C1 ZINC000998352882 642395047 /nfs/dbraw/zinc/39/50/47/642395047.db2.gz VPUHCKVVVGMUCZ-UHFFFAOYSA-N 0 3 256.777 2.118 20 30 CEEDHN CN1CC[C@H](NCc2cc(C#N)ccc2Br)C1 ZINC000921687519 642515741 /nfs/dbraw/zinc/51/57/41/642515741.db2.gz FXKMATVVMJREDN-LBPRGKRZSA-N 0 3 294.196 2.114 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2c[nH]cc2C)C1 ZINC000999825105 642516406 /nfs/dbraw/zinc/51/64/06/642516406.db2.gz SZUWTMYOOTVFHF-UHFFFAOYSA-N 0 3 281.787 2.268 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)[C@@H]3C[C@H]3CCC)CC2)CC1 ZINC001000253371 642572233 /nfs/dbraw/zinc/57/22/33/642572233.db2.gz NSKXLWXGPRWGCS-GDBMZVCRSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)[C@H]3C[C@@H]3C(C)C)CC2)CC1 ZINC001000303817 642581659 /nfs/dbraw/zinc/58/16/59/642581659.db2.gz DPJAVEGAGRTAHD-CVEARBPZSA-N 0 3 288.435 2.273 20 30 CEEDHN N#Cc1cccc(CNCC[C@@H](O)c2ccccc2)n1 ZINC000877528276 650769693 /nfs/dbraw/zinc/76/96/93/650769693.db2.gz XDBPILRCBAZBHX-MRXNPFEDSA-N 0 3 267.332 2.167 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2cc(Cl)c[nH]2)CC1 ZINC001000445574 642609621 /nfs/dbraw/zinc/60/96/21/642609621.db2.gz CGBNAOQFZOHEIW-UHFFFAOYSA-N 0 3 279.771 2.216 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2c[nH]nc2C(C)C)CC1 ZINC001000891584 642662336 /nfs/dbraw/zinc/66/23/36/642662336.db2.gz RXYVHBVYIZTRLD-UHFFFAOYSA-N 0 3 288.395 2.081 20 30 CEEDHN CC[C@@](C)(CC(=O)OC)NCc1csc(C#N)c1 ZINC000921819575 642684974 /nfs/dbraw/zinc/68/49/74/642684974.db2.gz NUQPFIFJMNOLHC-ZDUSSCGKSA-N 0 3 266.366 2.441 20 30 CEEDHN CC#CCN1CCC(CNC(=O)C2CCCC2)CC1 ZINC001001135245 642691988 /nfs/dbraw/zinc/69/19/88/642691988.db2.gz KYHJMIHGLMARTA-UHFFFAOYSA-N 0 3 262.397 2.028 20 30 CEEDHN C#CCN1CCC(CNC(=O)c2cccc(C)c2)CC1 ZINC001001167738 642692964 /nfs/dbraw/zinc/69/29/64/642692964.db2.gz GCXRFNFVKZKNQF-UHFFFAOYSA-N 0 3 270.376 2.070 20 30 CEEDHN CC#CCN1CCC(CNC(=O)c2ccsc2)CC1 ZINC001001183621 642698305 /nfs/dbraw/zinc/69/83/05/642698305.db2.gz SUNPFWBKTLCBOY-UHFFFAOYSA-N 0 3 276.405 2.213 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2c[nH]c3cccnc23)CC1 ZINC001001370328 642716488 /nfs/dbraw/zinc/71/64/88/642716488.db2.gz IRCJGQZWNRPJBM-UHFFFAOYSA-N 0 3 296.374 2.111 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2ccc(N(C)C)cc2)CC1 ZINC001001402954 642719240 /nfs/dbraw/zinc/71/92/40/642719240.db2.gz ZCMCAIDGUMJSIS-UHFFFAOYSA-N 0 3 299.418 2.301 20 30 CEEDHN C#CCN1CCC(CNC(=O)[C@H]2CCC[C@H]2C(F)F)CC1 ZINC001001476542 642725364 /nfs/dbraw/zinc/72/53/64/642725364.db2.gz MZDQGUWFMUVKEX-KGLIPLIRSA-N 0 3 298.377 2.129 20 30 CEEDHN C#CCN1CCC(CNC(=O)[C@H]2CCCC(F)(F)C2)CC1 ZINC001001825281 642738878 /nfs/dbraw/zinc/73/88/78/642738878.db2.gz LITPPDHKBVZSHL-AWEZNQCLSA-N 0 3 298.377 2.273 20 30 CEEDHN COCC[C@H](C)CNCc1cc(C#N)cnc1Cl ZINC000877588219 650802733 /nfs/dbraw/zinc/80/27/33/650802733.db2.gz XOGMCPAKPFQHPQ-JTQLQIEISA-N 0 3 267.760 2.369 20 30 CEEDHN C#CCCCCCCN1C[C@@H](CO)OC(C)(C)C1 ZINC000877594949 650806181 /nfs/dbraw/zinc/80/61/81/650806181.db2.gz NLJMANVVNXTJIR-AWEZNQCLSA-N 0 3 253.386 2.042 20 30 CEEDHN CC(C)(C)OC(=O)COCCNCc1csc(C#N)c1 ZINC000922303168 643014730 /nfs/dbraw/zinc/01/47/30/643014730.db2.gz UAJSUPHXWJFXDZ-UHFFFAOYSA-N 0 3 296.392 2.068 20 30 CEEDHN C#CCOCCN1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000851711596 643120957 /nfs/dbraw/zinc/12/09/57/643120957.db2.gz CAADQDZMQMWSMR-MRXNPFEDSA-N 0 3 289.375 2.491 20 30 CEEDHN C#CCOCCN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000851889642 643210767 /nfs/dbraw/zinc/21/07/67/643210767.db2.gz MUVZRJVUCQYYBK-UHFFFAOYSA-N 0 3 299.370 2.197 20 30 CEEDHN N#Cc1cc(CNC[C@@H]2CCC3(CCOCC3)O2)cs1 ZINC000922806401 643275064 /nfs/dbraw/zinc/27/50/64/643275064.db2.gz VSCVFLUWKMEBAU-ZDUSSCGKSA-N 0 3 292.404 2.438 20 30 CEEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1cccs1 ZINC000852098688 643301723 /nfs/dbraw/zinc/30/17/23/643301723.db2.gz SWOWGPZJJKOCIX-DOMZBBRYSA-N 0 3 278.421 2.187 20 30 CEEDHN C#C[C@@](C)(CC)NCC(=O)N(C)Cc1cccc(OC)c1 ZINC000852098524 643301892 /nfs/dbraw/zinc/30/18/92/643301892.db2.gz PFOSNUWADUWNNJ-KRWDZBQOSA-N 0 3 288.391 2.045 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2oc(C)nc2C)CC1 ZINC001005213077 643394495 /nfs/dbraw/zinc/39/44/95/643394495.db2.gz XFSXEOWNTMEAJH-UHFFFAOYSA-N 0 3 277.368 2.014 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCC2(F)F)CC1 ZINC001005563642 643419594 /nfs/dbraw/zinc/41/95/94/643419594.db2.gz FPTSGVYDMUMMJA-LBPRGKRZSA-N 0 3 272.339 2.141 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2ncc(C)cc2C)CC1 ZINC001005753711 643435344 /nfs/dbraw/zinc/43/53/44/643435344.db2.gz HAPOYRTTXUHJTA-UHFFFAOYSA-N 0 3 287.407 2.421 20 30 CEEDHN COCCCCN(Cc1ccccc1)C[C@H](O)CC#N ZINC000929342954 643453107 /nfs/dbraw/zinc/45/31/07/643453107.db2.gz MPOHHOSTHCALCW-MRXNPFEDSA-N 0 3 276.380 2.190 20 30 CEEDHN C=CCN([C@@H]1CCN(C2CCOCC2)C1=O)C(C)(C)C ZINC000852554012 643469359 /nfs/dbraw/zinc/46/93/59/643469359.db2.gz AATUGWTXUPKHLY-CQSZACIVSA-N 0 3 280.412 2.053 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cc(C)co2)CC1 ZINC001005854134 643500365 /nfs/dbraw/zinc/50/03/65/643500365.db2.gz VXMXZMNSUIVNPI-UHFFFAOYSA-N 0 3 262.353 2.310 20 30 CEEDHN N#CCCNC(=O)CN1CCCC[C@H]1CC1CCC1 ZINC000852712458 643520083 /nfs/dbraw/zinc/52/00/83/643520083.db2.gz PPOFEBVKSBMYGV-AWEZNQCLSA-N 0 3 263.385 2.061 20 30 CEEDHN C=C(C)CN1CCC(N(C)C(=O)c2conc2C)CC1 ZINC001005921896 643561760 /nfs/dbraw/zinc/56/17/60/643561760.db2.gz BBFMPBVYBIJNFM-UHFFFAOYSA-N 0 3 277.368 2.096 20 30 CEEDHN CCc1ccc(C#CC(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)cc1 ZINC000923267088 643629048 /nfs/dbraw/zinc/62/90/48/643629048.db2.gz OSMWYWKDSWUCOF-MSOLQXFVSA-N 0 3 296.414 2.296 20 30 CEEDHN C=C(C)CN1CCC(N(C)C(=O)c2cnoc2CC)CC1 ZINC001006073373 643698097 /nfs/dbraw/zinc/69/80/97/643698097.db2.gz OZYUILFKXMAYHL-UHFFFAOYSA-N 0 3 291.395 2.350 20 30 CEEDHN Cc1nn(C)cc1CN(C)CCc1cccc(C#N)c1 ZINC000877704920 650861651 /nfs/dbraw/zinc/86/16/51/650861651.db2.gz XMUURMIVHFFLAJ-UHFFFAOYSA-N 0 3 268.364 2.275 20 30 CEEDHN C=CCN(Cc1cc(OC)c(OC)cc1O)[C@H](C)COC ZINC000853534660 643804604 /nfs/dbraw/zinc/80/46/04/643804604.db2.gz LTQZFXZCSHHWLV-GFCCVEGCSA-N 0 3 295.379 2.432 20 30 CEEDHN C=CC[C@@H]1CCCN(CN2C[C@H](C)[C@@H](C)C2=O)C1 ZINC000853537325 643807485 /nfs/dbraw/zinc/80/74/85/643807485.db2.gz VDYJCAJGGVSZOW-BFHYXJOUSA-N 0 3 250.386 2.346 20 30 CEEDHN C#C[C@@H](CC)NC(=O)N(CCC)CCN1CCCCC1 ZINC000854077130 643979681 /nfs/dbraw/zinc/97/96/81/643979681.db2.gz KKLOJYXBVHGDAJ-HNNXBMFYSA-N 0 3 279.428 2.306 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCCCC[C@H]1CC ZINC000838622348 643980722 /nfs/dbraw/zinc/98/07/22/643980722.db2.gz FUWLPBDKAQUBBI-OAHLLOKOSA-N 0 3 279.428 2.306 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCCC[C@@H]1CCC ZINC000838623432 643981121 /nfs/dbraw/zinc/98/11/21/643981121.db2.gz BLAKSVBENUKNFX-HNNXBMFYSA-N 0 3 279.428 2.306 20 30 CEEDHN C=CCONC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000838712063 644001038 /nfs/dbraw/zinc/00/10/38/644001038.db2.gz XQEMAULSCRROHG-NWDGAFQWSA-N 0 3 281.356 2.126 20 30 CEEDHN CC(C)c1cccc(CC(=O)C(C#N)C(=O)NC2CC2)c1 ZINC000838788173 644022692 /nfs/dbraw/zinc/02/26/92/644022692.db2.gz SIKLVRCJPQPYMN-OAHLLOKOSA-N 0 3 284.359 2.340 20 30 CEEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1ccc(Cl)nn1)C2 ZINC000877766993 650903245 /nfs/dbraw/zinc/90/32/45/650903245.db2.gz RMHKMEAVVKPIBO-AWEZNQCLSA-N 0 3 284.750 2.259 20 30 CEEDHN Cc1ccc(C(C)C)c2c1C(=NNC(=N)N)CCO2 ZINC000753923674 644294665 /nfs/dbraw/zinc/29/46/65/644294665.db2.gz GSTSVTCSALPRSM-UHFFFAOYSA-N 0 3 260.341 2.088 20 30 CEEDHN C#CCNC(=O)CN[C@H](Cc1ccccc1)c1cccs1 ZINC000754366352 644362209 /nfs/dbraw/zinc/36/22/09/644362209.db2.gz GXXUAMUAWYHKEV-OAHLLOKOSA-N 0 3 298.411 2.371 20 30 CEEDHN C[C@@H]1CCCN1CCNC(=O)c1c(F)cc(C#N)cc1F ZINC000755440752 644518902 /nfs/dbraw/zinc/51/89/02/644518902.db2.gz VZLAHHBLPWUIMJ-SNVBAGLBSA-N 0 3 293.317 2.051 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)CCC(C)(C)C(C)=O ZINC000755747978 644555369 /nfs/dbraw/zinc/55/53/69/644555369.db2.gz GWONNKBAGAZTJY-CYBMUJFWSA-N 0 3 294.395 2.397 20 30 CEEDHN C#C[C@@H](NCCOc1ccccc1C)[C@@H]1CCCO1 ZINC000839564586 644744983 /nfs/dbraw/zinc/74/49/83/644744983.db2.gz RQMGJFSPIRURIC-ZBFHGGJFSA-N 0 3 259.349 2.144 20 30 CEEDHN C=CCN(C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)C(C)C ZINC000757792750 644846344 /nfs/dbraw/zinc/84/63/44/644846344.db2.gz QDSHINLINSCJMV-TZMCWYRMSA-N 0 3 265.401 2.075 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(OC(F)F)cn1 ZINC000857236428 644866615 /nfs/dbraw/zinc/86/66/15/644866615.db2.gz DWLNWQPAGLXYPE-LLVKDONJSA-N 0 3 299.321 2.073 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858048097 645053368 /nfs/dbraw/zinc/05/33/68/645053368.db2.gz OXDOVDDXXIAJON-CVEARBPZSA-N 0 3 288.391 2.349 20 30 CEEDHN C=CC[C@H](C)N1CCN(Cc2cscn2)CC1 ZINC000878031800 650978434 /nfs/dbraw/zinc/97/84/34/650978434.db2.gz HYCXCYVZHNTGEG-LBPRGKRZSA-N 0 3 251.399 2.225 20 30 CEEDHN C#CC[C@@H](COC)NCc1scnc1C1CC1 ZINC000858335546 645123283 /nfs/dbraw/zinc/12/32/83/645123283.db2.gz XUOZPTBDKVUDKU-NSHDSACASA-N 0 3 250.367 2.148 20 30 CEEDHN C#CC[C@H](COC)NCc1cccc(OCC=C)c1 ZINC000858335676 645123518 /nfs/dbraw/zinc/12/35/18/645123518.db2.gz CLVHETVTWPMRMV-OAHLLOKOSA-N 0 3 259.349 2.379 20 30 CEEDHN Cc1cc(C)cc(OCC(=O)C(C#N)c2ccncn2)c1 ZINC000760334917 645141464 /nfs/dbraw/zinc/14/14/64/645141464.db2.gz SCBXQGBMLRQDHX-AWEZNQCLSA-N 0 3 281.315 2.349 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]2c2ccccc2C)CC1 ZINC000126905366 650998235 /nfs/dbraw/zinc/99/82/35/650998235.db2.gz GSEZNRZAQBKOJB-ZWKOTPCHSA-N 0 3 296.414 2.312 20 30 CEEDHN N#CC(C(=O)[C@H]1CCSC1)c1nc2ccccc2[nH]1 ZINC000762063406 645358979 /nfs/dbraw/zinc/35/89/79/645358979.db2.gz CWEJIIRLMHHSDQ-UWVGGRQHSA-N 0 3 271.345 2.492 20 30 CEEDHN COC(=O)[C@H]1CCN(Cc2ccc(C)c(C#N)c2)[C@@H]1C ZINC000859272674 645442564 /nfs/dbraw/zinc/44/25/64/645442564.db2.gz UGFIHIKFTWLKLQ-DOMZBBRYSA-N 0 3 272.348 2.250 20 30 CEEDHN C=CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000878147758 651013425 /nfs/dbraw/zinc/01/34/25/651013425.db2.gz AXOLFTFABCSMSH-AWEZNQCLSA-N 0 3 296.436 2.170 20 30 CEEDHN C#CCNC(=O)CN1CC[C@H](C)C2(CCCCC2)C1 ZINC000765086609 645731526 /nfs/dbraw/zinc/73/15/26/645731526.db2.gz GVTPOFVSCWHXDB-AWEZNQCLSA-N 0 3 262.397 2.028 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000765499818 645777985 /nfs/dbraw/zinc/77/79/85/645777985.db2.gz NQACKFMWBCNHGG-CQSZACIVSA-N 0 3 298.427 2.255 20 30 CEEDHN c1ccc(-c2noc(N=NC3CCN4CCC[C@@H]34)n2)cc1 ZINC000765572298 645786201 /nfs/dbraw/zinc/78/62/01/645786201.db2.gz PCMMBIAFJJUEQX-ZDUSSCGKSA-N 0 3 283.335 2.373 20 30 CEEDHN C#CCCCCCN(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000878256808 651046568 /nfs/dbraw/zinc/04/65/68/651046568.db2.gz CQKYFXRAGGNUKO-HUUCEWRRSA-N 0 3 285.453 2.468 20 30 CEEDHN Cc1cc(CNC[C@@H](O)c2ccco2)ccc1C#N ZINC000767679565 646026987 /nfs/dbraw/zinc/02/69/87/646026987.db2.gz CXKAWHHRBPRFFX-CQSZACIVSA-N 0 3 256.305 2.283 20 30 CEEDHN C#CCN(CC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769110916 646207548 /nfs/dbraw/zinc/20/75/48/646207548.db2.gz KBCKSZVVSMZSDS-UHFFFAOYSA-N 0 3 276.355 2.117 20 30 CEEDHN CCN(C(=O)c1ccc(F)c(C#N)c1)C1CCN(C)CC1 ZINC000861892080 646294258 /nfs/dbraw/zinc/29/42/58/646294258.db2.gz AKCQTYNNHZANIX-UHFFFAOYSA-N 0 3 289.354 2.254 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)C(C)(C)c2ccc(C#N)cc2)CCN1 ZINC000862242830 646376218 /nfs/dbraw/zinc/37/62/18/646376218.db2.gz SBQZNZLWWWAXFI-MRXNPFEDSA-N 0 3 299.418 2.292 20 30 CEEDHN C#CCCN1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000770665292 646423186 /nfs/dbraw/zinc/42/31/86/646423186.db2.gz QCFXCMMMRHQHMV-UHFFFAOYSA-N 0 3 279.387 2.376 20 30 CEEDHN C#CC[C@H]1CCN(Cc2cc3c(cc2OC)OCO3)C1 ZINC000862445661 646463195 /nfs/dbraw/zinc/46/31/95/646463195.db2.gz ZCIJNEOPWDHPRO-LBPRGKRZSA-N 0 3 273.332 2.269 20 30 CEEDHN C#CC[C@H]1CCN(Cc2cc(C(=O)OC)c(CC)o2)C1 ZINC000862447343 646466059 /nfs/dbraw/zinc/46/60/59/646466059.db2.gz LWJMOTJLHWINCW-LBPRGKRZSA-N 0 3 275.348 2.474 20 30 CEEDHN CCOC(=O)C1=CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000862489385 646480122 /nfs/dbraw/zinc/48/01/22/646480122.db2.gz JPPPXIPKEVBBPI-CQSZACIVSA-N 0 3 288.322 2.439 20 30 CEEDHN C#C[C@H](C)N(C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000775183032 646928757 /nfs/dbraw/zinc/92/87/57/646928757.db2.gz GMUUZWSWZSGKIM-STQMWFEESA-N 0 3 266.385 2.339 20 30 CEEDHN C#CCNC(=O)CN[C@@H](CC(C)C)c1ccccc1C ZINC000775406624 646951210 /nfs/dbraw/zinc/95/12/10/646951210.db2.gz JRVWPLYYYXBSKV-INIZCTEOSA-N 0 3 272.392 2.421 20 30 CEEDHN C[C@@H](C#N)CN(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775655264 646976549 /nfs/dbraw/zinc/97/65/49/646976549.db2.gz CDHHDYOXHXTHBM-HNNXBMFYSA-N 0 3 286.423 2.030 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CNCCOC(F)(F)F ZINC000865540248 647349286 /nfs/dbraw/zinc/34/92/86/647349286.db2.gz IBEHLCWAWVJRRX-UHFFFAOYSA-N 0 3 287.285 2.250 20 30 CEEDHN C#Cc1ccc(CN[C@H]2CCCn3nccc32)cc1 ZINC000865871669 647514505 /nfs/dbraw/zinc/51/45/05/647514505.db2.gz KLSNQFJCGZKPOW-HNNXBMFYSA-N 0 3 251.333 2.489 20 30 CEEDHN CC(C)[C@H](F)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787074145 648071151 /nfs/dbraw/zinc/07/11/51/648071151.db2.gz XKVKDRUOTFKMOG-KBPBESRZSA-N 0 3 290.338 2.348 20 30 CEEDHN N#Cc1ccccc1NC(=S)N1CCN2CCC1CC2 ZINC000787198024 648084133 /nfs/dbraw/zinc/08/41/33/648084133.db2.gz JHIFJCGOLHUXSJ-UHFFFAOYSA-N 0 3 286.404 2.035 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1ccc2cnccc2c1 ZINC000870142824 648712257 /nfs/dbraw/zinc/71/22/57/648712257.db2.gz OGUMZSKVUMOEID-HNNXBMFYSA-N 0 3 295.342 2.011 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000870530012 648834978 /nfs/dbraw/zinc/83/49/78/648834978.db2.gz UEYGVRMPVHAYGP-UWWQBHOKSA-N 0 3 288.435 2.417 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)Nc1nc2cc(C#N)ccc2[nH]1 ZINC000871070022 648994668 /nfs/dbraw/zinc/99/46/68/648994668.db2.gz DYYKYTTVOPOYKN-CQSZACIVSA-N 0 3 297.362 2.247 20 30 CEEDHN C[C@H](Nc1cc2n(n1)CCN(C)C2)c1ccc(C#N)cc1 ZINC000871926400 649218015 /nfs/dbraw/zinc/21/80/15/649218015.db2.gz HACQHXRKFKCEFT-LBPRGKRZSA-N 0 3 281.363 2.373 20 30 CEEDHN Cc1cc(=NN=CC(F)(F)C(F)(F)F)cc[nH]1 ZINC000872393073 649378528 /nfs/dbraw/zinc/37/85/28/649378528.db2.gz JYCFPQITGCVIRA-UHFFFAOYSA-N 0 3 253.174 2.407 20 30 CEEDHN Cc1cc(N=NCC(F)(F)C(F)(F)F)ccn1 ZINC000872393073 649378532 /nfs/dbraw/zinc/37/85/32/649378532.db2.gz JYCFPQITGCVIRA-UHFFFAOYSA-N 0 3 253.174 2.407 20 30 CEEDHN Cc1cc(NN=CC(F)(F)C(F)(F)F)ccn1 ZINC000872393073 649378535 /nfs/dbraw/zinc/37/85/35/649378535.db2.gz JYCFPQITGCVIRA-UHFFFAOYSA-N 0 3 253.174 2.407 20 30 CEEDHN CN1CCC[C@@H]2[C@H]1CCN2c1ccc(C#N)cc1[N+](=O)[O-] ZINC000872778464 649485726 /nfs/dbraw/zinc/48/57/26/649485726.db2.gz AMJHIXCVGLCZDS-CHWSQXEVSA-N 0 3 286.335 2.139 20 30 CEEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccccc1CC#N ZINC000874821675 649839353 /nfs/dbraw/zinc/83/93/53/649839353.db2.gz SKFXDXFFMYXHCF-JKSUJKDBSA-N 0 3 283.375 2.061 20 30 CEEDHN N#CCC1(CN[C@@H](CCO)c2cccs2)CC1 ZINC000878411695 651088886 /nfs/dbraw/zinc/08/88/86/651088886.db2.gz NAUGGXPCKRXURZ-NSHDSACASA-N 0 3 250.367 2.455 20 30 CEEDHN C#CCCCCCN1CCN(c2ccc(C#N)nc2)CC1 ZINC000878529899 651122151 /nfs/dbraw/zinc/12/21/51/651122151.db2.gz NKHLCHBAJMIJMO-UHFFFAOYSA-N 0 3 282.391 2.269 20 30 CEEDHN C=CC[C@H](C(=O)OC)N1CCN(C)C2(CCCCC2)C1 ZINC000878665034 651158108 /nfs/dbraw/zinc/15/81/08/651158108.db2.gz BBFQRBAIAIYIGX-CQSZACIVSA-N 0 3 280.412 2.054 20 30 CEEDHN CC1(F)CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000879381188 651295437 /nfs/dbraw/zinc/29/54/37/651295437.db2.gz SEXDBOMCQOSNJG-CQSZACIVSA-N 0 3 262.328 2.416 20 30 CEEDHN Cc1cc(CN(CC2CC2)[C@H](C(N)=O)C2CC2)ccc1C#N ZINC000879487605 651310738 /nfs/dbraw/zinc/31/07/38/651310738.db2.gz YFZPKQOOBLULJU-KRWDZBQOSA-N 0 3 297.402 2.343 20 30 CEEDHN C[C@H](NCCOc1ccccc1C#N)c1ccnn1C ZINC000879683615 651338666 /nfs/dbraw/zinc/33/86/66/651338666.db2.gz BKOWJEWDLQTOOA-LBPRGKRZSA-N 0 3 270.336 2.021 20 30 CEEDHN C=CC(C)(C)CC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000879800917 651353814 /nfs/dbraw/zinc/35/38/14/651353814.db2.gz XMEHOFGTVARDAN-AWEZNQCLSA-N 0 3 294.439 2.300 20 30 CEEDHN Cc1ccc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c(C#N)n1 ZINC000882073423 651952257 /nfs/dbraw/zinc/95/22/57/651952257.db2.gz QWMZGCSKKIAQIQ-NWDGAFQWSA-N 0 3 256.353 2.299 20 30 CEEDHN CCN1CC[C@@H]1CNc1cc(C#N)nc2ccccc21 ZINC000882960415 652291887 /nfs/dbraw/zinc/29/18/87/652291887.db2.gz JCZCTRILZMKNDS-CYBMUJFWSA-N 0 3 266.348 2.034 20 30 CEEDHN CSCCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000130985533 652364043 /nfs/dbraw/zinc/36/40/43/652364043.db2.gz ZGTNGOMIEWULOV-ZDUSSCGKSA-N 0 3 290.388 2.155 20 30 CEEDHN C#CC[C@@H](CO)NCc1c[nH]nc1-c1cccc(Cl)c1 ZINC000883123590 652369425 /nfs/dbraw/zinc/36/94/25/652369425.db2.gz DCHATKBORVPFKG-AWEZNQCLSA-N 0 3 289.766 2.204 20 30 CEEDHN C#CC[C@H](CO)NCc1cscc1C(F)(F)F ZINC000883124861 652370311 /nfs/dbraw/zinc/37/03/11/652370311.db2.gz RXBDEELOIZANKN-SECBINFHSA-N 0 3 263.284 2.241 20 30 CEEDHN C#CC[C@H](CO)NCc1cccc(OC(C)(C)C)c1 ZINC000883125540 652370591 /nfs/dbraw/zinc/37/05/91/652370591.db2.gz LUNJIPDDXQEIDN-CQSZACIVSA-N 0 3 261.365 2.338 20 30 CEEDHN C=C[C@H](CO)NCc1ccccc1N1CCCCC1 ZINC000883181254 652391437 /nfs/dbraw/zinc/39/14/37/652391437.db2.gz WNCNLCJMTPEFKI-OAHLLOKOSA-N 0 3 260.381 2.313 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](CF)C2)CC1 ZINC000883343177 652436867 /nfs/dbraw/zinc/43/68/67/652436867.db2.gz CBEKSXBCVJLYAC-CYBMUJFWSA-N 0 3 283.391 2.028 20 30 CEEDHN C[C@H](N[C@@H]1CC(=O)N(CC2CC2)C1)c1cccc(C#N)c1 ZINC000883395091 652454152 /nfs/dbraw/zinc/45/41/52/652454152.db2.gz NLQZVOBQCAEOFB-BLLLJJGKSA-N 0 3 283.375 2.220 20 30 CEEDHN C[C@@H](N[C@@H]1CC(=O)N(CC2CC2)C1)c1cccc(C#N)c1 ZINC000883395093 652454378 /nfs/dbraw/zinc/45/43/78/652454378.db2.gz NLQZVOBQCAEOFB-MLGOLLRUSA-N 0 3 283.375 2.220 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1ccnn1CC1CCC1 ZINC000883399527 652455907 /nfs/dbraw/zinc/45/59/07/652455907.db2.gz PLTZSJALUPQDCI-CQSZACIVSA-N 0 3 263.385 2.100 20 30 CEEDHN Cc1ccc(F)cc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884047436 652658154 /nfs/dbraw/zinc/65/81/54/652658154.db2.gz UFJIWGUPSBYAKK-BWBHSNQOSA-N 0 3 287.338 2.212 20 30 CEEDHN CCc1ccccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884050872 652663618 /nfs/dbraw/zinc/66/36/18/652663618.db2.gz OGYMPUGSZCGCSJ-XOYHFGRZSA-N 0 3 283.375 2.327 20 30 CEEDHN Cc1ccccc1CN(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884052654 652665668 /nfs/dbraw/zinc/66/56/68/652665668.db2.gz WVVMPJUEHWCIFJ-PQUAAJSLSA-N 0 3 297.402 2.093 20 30 CEEDHN Cc1cccc(N(C)C(=O)C2CC3(C2)CNC[C@@H]3C#N)c1 ZINC000884070078 652694782 /nfs/dbraw/zinc/69/47/82/652694782.db2.gz YDEVAAAEWZLNAW-UUCFBXCCSA-N 0 3 283.375 2.097 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1CNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884102671 652709057 /nfs/dbraw/zinc/70/90/57/652709057.db2.gz JLCWYHWHJVNJES-RXKGYNAASA-N 0 3 289.423 2.068 20 30 CEEDHN CC[C@@]1(C)CCCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)C1 ZINC000884141094 652724866 /nfs/dbraw/zinc/72/48/66/652724866.db2.gz PBKOQCWZDKKUME-HTUOJYHCSA-N 0 3 289.423 2.164 20 30 CEEDHN CC(C)[C@@H](C)N(C(=O)C1CC2(C1)CNC[C@H]2C#N)C1CC1 ZINC000884307825 652790002 /nfs/dbraw/zinc/79/00/02/652790002.db2.gz WDLYPPSDCDIOBD-SMOJQAGNSA-N 0 3 289.423 2.161 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000885604108 653029642 /nfs/dbraw/zinc/02/96/42/653029642.db2.gz RHGRXNFZZRBZHS-CYBMUJFWSA-N 0 3 298.386 2.294 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnn(CC)c2)[C@H]1CC ZINC001087524079 805666045 /nfs/dbraw/zinc/66/60/45/805666045.db2.gz AILCBBPPSUGTFI-LSDHHAIUSA-N 0 3 290.411 2.062 20 30 CEEDHN C#CCN1CCC(C)(CNC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001270899104 805666447 /nfs/dbraw/zinc/66/64/47/805666447.db2.gz CWHFJNXLAJITPB-AWEZNQCLSA-N 0 3 276.424 2.274 20 30 CEEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)c2cccnc2)cc1 ZINC001280339828 805700940 /nfs/dbraw/zinc/70/09/40/805700940.db2.gz ALAIDXLGMHLSJQ-AWEZNQCLSA-N 0 3 293.370 2.295 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCCO2)[C@H]1CC ZINC001087543710 805723395 /nfs/dbraw/zinc/72/33/95/805723395.db2.gz DRRKXVQWZFFRSH-ZNMIVQPWSA-N 0 3 280.412 2.101 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)[C@H]1CC ZINC001087574864 805753547 /nfs/dbraw/zinc/75/35/47/805753547.db2.gz AXHLOGFASROZSF-JONQDZQNSA-N 0 3 294.439 2.203 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccc3[nH]ccc3n2)[C@H]1CC ZINC001087655651 805766271 /nfs/dbraw/zinc/76/62/71/805766271.db2.gz MXCPALLJBSIGDJ-GOEBONIOSA-N 0 3 298.390 2.332 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cccc3nccn32)[C@H]1CC ZINC001087656464 805766617 /nfs/dbraw/zinc/76/66/17/805766617.db2.gz HAYGNOAFWASVDX-UONOGXRCSA-N 0 3 298.390 2.103 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)[nH]c2C)[C@H]1CC ZINC001087742625 805784946 /nfs/dbraw/zinc/78/49/46/805784946.db2.gz XKCRICUPHNVMTH-LSDHHAIUSA-N 0 3 275.396 2.400 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@H](CC)OC ZINC001029421671 805799549 /nfs/dbraw/zinc/79/95/49/805799549.db2.gz HYXUFDLGRHOWDV-ZNMIVQPWSA-N 0 3 294.439 2.299 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)CCC3CCCC3)C[C@@H]2C1 ZINC001087872024 805830082 /nfs/dbraw/zinc/83/00/82/805830082.db2.gz LBQSATRWAJTQCO-SJORKVTESA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)CCc3ccccc3)C[C@@H]2C1 ZINC001088179780 805966292 /nfs/dbraw/zinc/96/62/92/805966292.db2.gz YPKRCCRTBVWSOF-MSOLQXFVSA-N 0 3 296.414 2.033 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)C(C)(CC)CC)C[C@@H]2C1 ZINC001088206605 805969801 /nfs/dbraw/zinc/96/98/01/805969801.db2.gz XAOQYSAVDPWEHG-CABCVRRESA-N 0 3 276.424 2.226 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC[C@@H]3[C@H](CCN3CCF)C2)C1 ZINC001036815566 814927798 /nfs/dbraw/zinc/92/77/98/814927798.db2.gz GYHFMMPFEYIJIA-ZIAGYGMSSA-N 0 3 280.387 2.235 20 30 CEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2ccon2)C1 ZINC001088268122 806069469 /nfs/dbraw/zinc/06/94/69/806069469.db2.gz JEPLGIFEAOEKIW-LBPRGKRZSA-N 0 3 297.786 2.402 20 30 CEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2snnc2C)[C@H]1C ZINC001088464901 806268267 /nfs/dbraw/zinc/26/82/67/806268267.db2.gz WUJAYJAEDPEKGE-NEPJUHHUSA-N 0 3 294.424 2.005 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC001088552247 806377841 /nfs/dbraw/zinc/37/78/41/806377841.db2.gz UGEXBDLINYUDNY-OCCSQVGLSA-N 0 3 262.397 2.025 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)Cc1ccc(C)c(C)c1 ZINC001272164995 806567091 /nfs/dbraw/zinc/56/70/91/806567091.db2.gz KOKPQBJMXZOJAE-UHFFFAOYSA-N 0 3 274.408 2.422 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)CCOc1cccc(C)c1 ZINC001272172442 806568505 /nfs/dbraw/zinc/56/85/05/806568505.db2.gz MVDQNJBRZHLDEL-UHFFFAOYSA-N 0 3 290.407 2.340 20 30 CEEDHN C=C(C)C(=O)N(C1CCCC1)C1CCN(C)CC1 ZINC001142511672 806611696 /nfs/dbraw/zinc/61/16/96/806611696.db2.gz SBKCRBDOVLRPAS-UHFFFAOYSA-N 0 3 250.386 2.428 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@]34C[C@H]3CCC4)C2)C1 ZINC001040301991 806727761 /nfs/dbraw/zinc/72/77/61/806727761.db2.gz FEJBVHQFWIIFIT-KBAYOESNSA-N 0 3 286.419 2.124 20 30 CEEDHN CCOCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000128229277 806720764 /nfs/dbraw/zinc/72/07/64/806720764.db2.gz MTSBYUAHXHIXOA-ZDUSSCGKSA-N 0 3 274.320 2.151 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2CC=CCC2)[C@H]1C ZINC001088797964 806728444 /nfs/dbraw/zinc/72/84/44/806728444.db2.gz TXQPDZSRCKBZSW-KFWWJZLASA-N 0 3 262.397 2.498 20 30 CEEDHN CC(C(=O)NCCNCc1cccc(C#N)c1)=C1CCC1 ZINC001126875879 806735221 /nfs/dbraw/zinc/73/52/21/806735221.db2.gz QQQDXEITPBWPNQ-UHFFFAOYSA-N 0 3 283.375 2.264 20 30 CEEDHN C=CCCC(=O)N[C@H]1CCC[C@H]1CNCc1cscn1 ZINC001272243608 806779995 /nfs/dbraw/zinc/77/99/95/806779995.db2.gz LPCYQRABBCOIPT-JSGCOSHPSA-N 0 3 293.436 2.484 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)[C@@H]2C1 ZINC001076347041 806840260 /nfs/dbraw/zinc/84/02/60/806840260.db2.gz YXEQEVNAOGHNRG-CAOSSQGBSA-N 0 3 274.408 2.141 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(OC)cc3)[C@@H]2C1 ZINC001076490974 806854550 /nfs/dbraw/zinc/85/45/50/806854550.db2.gz JSLWEJJGMXLEJY-GOEBONIOSA-N 0 3 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ZINC001033107448 809180578 /nfs/dbraw/zinc/18/05/78/809180578.db2.gz MPFACTVTZFFSNN-RDJZCZTQSA-N 0 3 274.408 2.289 20 30 CEEDHN C#CCNC1(CNC(=O)C[C@H]2CCC(F)(F)C2)CCC1 ZINC001273090351 809206596 /nfs/dbraw/zinc/20/65/96/809206596.db2.gz DQRKBJDAKPVGNM-GFCCVEGCSA-N 0 3 284.350 2.074 20 30 CEEDHN C=C(C)CN1CC[C@@]2(CCCN2C[C@@H]2CCCCO2)C1=O ZINC001273092958 809207985 /nfs/dbraw/zinc/20/79/85/809207985.db2.gz JJJOSHBLAVINBJ-RDJZCZTQSA-N 0 3 292.423 2.199 20 30 CEEDHN C#CCNC1(CNC(=O)C/C=C/Cc2ccccc2)CCC1 ZINC001273099815 809211991 /nfs/dbraw/zinc/21/19/91/809211991.db2.gz DIABUKFCWUPKLQ-VOTSOKGWSA-N 0 3 296.414 2.437 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001033181881 809226405 /nfs/dbraw/zinc/22/64/05/809226405.db2.gz KFDCOZZOBIXJKM-CVEARBPZSA-N 0 3 274.408 2.289 20 30 CEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc(OC)cs2)C1 ZINC001033321993 809267741 /nfs/dbraw/zinc/26/77/41/809267741.db2.gz UCQCHCNYTVXHJZ-LBPRGKRZSA-N 0 3 294.420 2.479 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(c3cccnc3)CC2)C1 ZINC001033355315 809282424 /nfs/dbraw/zinc/28/24/24/809282424.db2.gz XWQFPEVHMQNDHY-INIZCTEOSA-N 0 3 299.418 2.222 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2oc(CC)cc2C)C1 ZINC001033587025 809347945 /nfs/dbraw/zinc/34/79/45/809347945.db2.gz DDPRKWFDPJUKAB-CQSZACIVSA-N 0 3 288.391 2.320 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccccc2OC)C1 ZINC001033608968 809360142 /nfs/dbraw/zinc/36/01/42/809360142.db2.gz JFIZVBPKLKPBSI-AWEZNQCLSA-N 0 3 288.391 2.418 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccncc2)C1 ZINC001033728827 809396140 /nfs/dbraw/zinc/39/61/40/809396140.db2.gz TYQJFXYFMYYVAP-OAHLLOKOSA-N 0 3 273.380 2.194 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cnn(CC)c2)C1 ZINC001033786648 809414738 /nfs/dbraw/zinc/41/47/38/809414738.db2.gz WJSVDAFNYYHZEZ-OAHLLOKOSA-N 0 3 290.411 2.016 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C2CC=CC2)C1 ZINC001033779073 809416872 /nfs/dbraw/zinc/41/68/72/809416872.db2.gz WAQQYQSFEPBQKC-HNNXBMFYSA-N 0 3 262.397 2.452 20 30 CEEDHN C=CCN1CC[C@H](N(CC)C(=O)c2ccn3cncc3c2)C1 ZINC001033887811 809444112 /nfs/dbraw/zinc/44/41/12/809444112.db2.gz PFXLVZPCMALUED-HNNXBMFYSA-N 0 3 298.390 2.057 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cncc(CC)c2)C1 ZINC001033896900 809445915 /nfs/dbraw/zinc/44/59/15/809445915.db2.gz HWVPPQDHIYTZRO-KRWDZBQOSA-N 0 3 299.418 2.204 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C)c(C)cn2)C1 ZINC001033908802 809449427 /nfs/dbraw/zinc/44/94/27/809449427.db2.gz HUXGRBFKQLHWDL-INIZCTEOSA-N 0 3 299.418 2.258 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C)co2)C1 ZINC001033931034 809454250 /nfs/dbraw/zinc/45/42/50/809454250.db2.gz BHGDGCWBFLDYKW-CQSZACIVSA-N 0 3 274.364 2.148 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccsc2)C1 ZINC001034089530 809506895 /nfs/dbraw/zinc/50/68/95/809506895.db2.gz DABAXUVNMFOQBT-CQSZACIVSA-N 0 3 278.421 2.447 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cscn2)C1 ZINC001034124609 809512624 /nfs/dbraw/zinc/51/26/24/809512624.db2.gz DVIRBRTVIPQMBE-GFCCVEGCSA-N 0 3 279.409 2.304 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001034195501 809550858 /nfs/dbraw/zinc/55/08/58/809550858.db2.gz RSQBPOYQGULLTR-NEPJUHHUSA-N 0 3 272.339 2.188 20 30 CEEDHN C#CCCN1CCCC[C@H](NC(=O)c2cccc(CC)n2)C1 ZINC001034244785 809563590 /nfs/dbraw/zinc/56/35/90/809563590.db2.gz GQWPPZDCQMAVMU-INIZCTEOSA-N 0 3 299.418 2.252 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC001034277644 809568726 /nfs/dbraw/zinc/56/87/26/809568726.db2.gz RLZKTDZHMQJIPT-CQSZACIVSA-N 0 3 275.396 2.402 20 30 CEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001034283925 809569933 /nfs/dbraw/zinc/56/99/33/809569933.db2.gz ZVKAMWQFDKRETP-MRXNPFEDSA-N 0 3 299.418 2.306 20 30 CEEDHN C#CCCN1CCCC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001034280552 809571098 /nfs/dbraw/zinc/57/10/98/809571098.db2.gz VNEMTNYTRVMALC-AWEZNQCLSA-N 0 3 280.387 2.263 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc3nccn32)C1 ZINC001034309388 809574820 /nfs/dbraw/zinc/57/48/20/809574820.db2.gz KDQMBQNOEMMHCZ-CQSZACIVSA-N 0 3 298.390 2.105 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001034343956 809585759 /nfs/dbraw/zinc/58/57/59/809585759.db2.gz ZUGKIBAFMABMMO-MGPQQGTHSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CCc3cccnc32)C1 ZINC001034365125 809592176 /nfs/dbraw/zinc/59/21/76/809592176.db2.gz PHRHENPXHDLFAZ-HOTGVXAUSA-N 0 3 299.418 2.268 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2cnn3ccccc23)C1 ZINC001034446648 809606321 /nfs/dbraw/zinc/60/63/21/809606321.db2.gz VVVSHGLJBYHTQG-AWEZNQCLSA-N 0 3 298.390 2.105 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@H]1CCCO1)CC2 ZINC001035656977 809798782 /nfs/dbraw/zinc/79/87/82/809798782.db2.gz YUQXALQCRXSUEW-HNNXBMFYSA-N 0 3 292.423 2.056 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(C#N)c[nH]1)CC2 ZINC001035679242 809801538 /nfs/dbraw/zinc/80/15/38/809801538.db2.gz RWLOVUUACDKJLJ-UHFFFAOYSA-N 0 3 298.390 2.000 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1coc(C)n1)CC2 ZINC001035689850 809803989 /nfs/dbraw/zinc/80/39/89/809803989.db2.gz HIVGZPPKXWPOOS-UHFFFAOYSA-N 0 3 289.379 2.097 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](F)CC)CC2 ZINC001035766797 809812290 /nfs/dbraw/zinc/81/22/90/809812290.db2.gz JXBGJZQYNYBSDJ-ZDUSSCGKSA-N 0 3 268.376 2.235 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCC1(C)C)CC2 ZINC001035777717 809816270 /nfs/dbraw/zinc/81/62/70/809816270.db2.gz ZJZZCXDHTPVITF-HNNXBMFYSA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC13CC3)CC2 ZINC001035803781 809819793 /nfs/dbraw/zinc/81/97/93/809819793.db2.gz JULNDTJMVVPNFI-AWEZNQCLSA-N 0 3 274.408 2.287 20 30 CEEDHN C=CCn1c(C(F)F)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001121601217 815346229 /nfs/dbraw/zinc/34/62/29/815346229.db2.gz YBQFWUCQSPDWNE-GHMZBOCLSA-N 0 3 299.369 2.321 20 30 CEEDHN C=C(C)CCN1C[C@@H](C)[C@H](NC(=O)c2cncs2)C1 ZINC001079464837 810212828 /nfs/dbraw/zinc/21/28/28/810212828.db2.gz PJPTVBFBBXRMRN-VXGBXAGGSA-N 0 3 279.409 2.159 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001079762028 810231791 /nfs/dbraw/zinc/23/17/91/810231791.db2.gz JNECWVZCSUXXKC-IAQYHMDHSA-N 0 3 290.432 2.438 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001079759153 810232325 /nfs/dbraw/zinc/23/23/25/810232325.db2.gz VWPWOTNODYRKMD-BFYDXBDKSA-N 0 3 274.408 2.193 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC001079785062 810233743 /nfs/dbraw/zinc/23/37/43/810233743.db2.gz BFWWTWUMJNKUNS-NVXWUHKLSA-N 0 3 286.419 2.468 20 30 CEEDHN Cc1cc(CN)nn1-c1ccc2c(C#N)nccc2c1 ZINC001163985904 810239562 /nfs/dbraw/zinc/23/95/62/810239562.db2.gz JCBOHZXMCYPIDY-UHFFFAOYSA-N 0 3 263.304 2.059 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccccc2OCC=C)C1 ZINC001014980380 810249297 /nfs/dbraw/zinc/24/92/97/810249297.db2.gz MMAKJCJQWKGFRV-OAHLLOKOSA-N 0 3 298.386 2.079 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001014987738 810251910 /nfs/dbraw/zinc/25/19/10/810251910.db2.gz POOYOADXXKCEOT-LBPRGKRZSA-N 0 3 272.339 2.188 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001080348030 810272552 /nfs/dbraw/zinc/27/25/52/810272552.db2.gz VMVAAIZBZGTDTN-MLGOLLRUSA-N 0 3 298.390 2.189 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCN(CC[C@@H](C)F)C2)cc1 ZINC001015479279 810294499 /nfs/dbraw/zinc/29/44/99/810294499.db2.gz AJMYBNWCQXNIHU-CZUORRHYSA-N 0 3 288.366 2.220 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001015523014 810298743 /nfs/dbraw/zinc/29/87/43/810298743.db2.gz KEJOHDCGRPCWJF-ZDUSSCGKSA-N 0 3 290.432 2.240 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC001080724736 810305960 /nfs/dbraw/zinc/30/59/60/810305960.db2.gz IBQFWMKNILXXMG-IAQYHMDHSA-N 0 3 298.390 2.107 20 30 CEEDHN CCCCCCCC[C@@H](N)C(=O)NCc1cnn(C)c1 ZINC001121854622 815360222 /nfs/dbraw/zinc/36/02/22/815360222.db2.gz QFRCPGDSXLGYLE-CQSZACIVSA-N 0 3 280.416 2.114 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccncc2Cl)C1 ZINC001015713588 810338923 /nfs/dbraw/zinc/33/89/23/810338923.db2.gz RMLGDSYXTKEWFD-ZDUSSCGKSA-N 0 3 293.798 2.044 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001015742775 810342111 /nfs/dbraw/zinc/34/21/11/810342111.db2.gz BNGNSWLELLUINT-HNNXBMFYSA-N 0 3 286.375 2.002 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C2CC2)n(CC)n1 ZINC001121880458 815362750 /nfs/dbraw/zinc/36/27/50/815362750.db2.gz OQMUAEOKMXIWPS-GFCCVEGCSA-N 0 3 276.384 2.403 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001015816275 810358419 /nfs/dbraw/zinc/35/84/19/810358419.db2.gz JDJJONGHTJQSNR-ZDUSSCGKSA-N 0 3 291.395 2.487 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001015901809 810369569 /nfs/dbraw/zinc/36/95/69/810369569.db2.gz AOACKOLJWYBWAD-OAHLLOKOSA-N 0 3 296.370 2.189 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001016012927 810387121 /nfs/dbraw/zinc/38/71/21/810387121.db2.gz IWKKUJHQVDEYQQ-NVXWUHKLSA-N 0 3 284.403 2.312 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001016040847 810390911 /nfs/dbraw/zinc/39/09/11/810390911.db2.gz MCPMWYRFECZGDU-BZUAXINKSA-N 0 3 276.424 2.417 20 30 CEEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CCN(CC=C(C)C)C1 ZINC001016104869 810400481 /nfs/dbraw/zinc/40/04/81/810400481.db2.gz AKZDUJMRSVJVSO-GOSISDBHSA-N 0 3 296.414 2.367 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CC=CCC2)CC1 ZINC001016500151 810445014 /nfs/dbraw/zinc/44/50/14/810445014.db2.gz MRHCWCZWLCMBLR-CVEARBPZSA-N 0 3 286.419 2.337 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCC3CCC3)[C@@H]2C1 ZINC001084263628 810455728 /nfs/dbraw/zinc/45/57/28/810455728.db2.gz ODZYPITVJIHENU-HZPDHXFCSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C(C)=C2CCC2)CC1 ZINC001016617695 810455689 /nfs/dbraw/zinc/45/56/89/810455689.db2.gz IFAPQXIPOMSADD-HNNXBMFYSA-N 0 3 272.392 2.091 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccoc2CC)CC1 ZINC001016599608 810456150 /nfs/dbraw/zinc/45/61/50/810456150.db2.gz ZFDJOVKKLPGOEA-OAHLLOKOSA-N 0 3 286.375 2.060 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C23CCC(CC2)C3)CC1 ZINC001016690633 810462621 /nfs/dbraw/zinc/46/26/21/810462621.db2.gz OEXWLHSTIUPWFO-CSLYMUCUSA-N 0 3 286.419 2.171 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3C=CC=CC=C3)[C@@H]2C1 ZINC001084379821 810465640 /nfs/dbraw/zinc/46/56/40/810465640.db2.gz USSGYLZBYKLFLZ-IAGOWNOFSA-N 0 3 284.403 2.394 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)Cc2cccc(C)c2)CC1 ZINC001016798560 810469952 /nfs/dbraw/zinc/46/99/52/810469952.db2.gz QRDARKQPHYMIPR-QGZVFWFLSA-N 0 3 296.414 2.141 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(CC)cc2)CC1 ZINC001016955157 810479524 /nfs/dbraw/zinc/47/95/24/810479524.db2.gz HGEZRULGZLBFCQ-QGZVFWFLSA-N 0 3 296.414 2.467 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(F)s2)CC1 ZINC001016998039 810481555 /nfs/dbraw/zinc/48/15/55/810481555.db2.gz OVPXCTDXXSWVIB-GFCCVEGCSA-N 0 3 292.379 2.105 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC3(C)C)[C@@H]2C1 ZINC001084588926 810482482 /nfs/dbraw/zinc/48/24/82/810482482.db2.gz QUBWBKPAGHQVOP-BZUAXINKSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N(C)CCc1cccs1 ZINC001121968495 815373087 /nfs/dbraw/zinc/37/30/87/815373087.db2.gz VQSCCFVALAYOIA-CYBMUJFWSA-N 0 3 266.410 2.433 20 30 CEEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)C ZINC001098916687 810521470 /nfs/dbraw/zinc/52/14/70/810521470.db2.gz SZABABAOIQIDTJ-OAHLLOKOSA-N 0 3 296.455 2.452 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC3(C)C)C[C@@H]21 ZINC001084920850 810545414 /nfs/dbraw/zinc/54/54/14/810545414.db2.gz YZWPYTLMJUIYGZ-MCIONIFRSA-N 0 3 262.397 2.141 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1CC ZINC001017757044 810549501 /nfs/dbraw/zinc/54/95/01/810549501.db2.gz TZSZJTIPRILXPP-QXSJWSMHSA-N 0 3 292.423 2.053 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001017836978 810558221 /nfs/dbraw/zinc/55/82/21/810558221.db2.gz OFPDTQOYTVIMBO-RRACKEQVSA-N 0 3 274.408 2.284 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)COC1CCCC1 ZINC001230899744 810565439 /nfs/dbraw/zinc/56/54/39/810565439.db2.gz NUBAXQJSWIHVRG-OAHLLOKOSA-N 0 3 294.439 2.445 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cnccn1 ZINC001172294164 815384543 /nfs/dbraw/zinc/38/45/43/815384543.db2.gz GIKVPDJEJBZBGB-LBPRGKRZSA-N 0 3 252.321 2.069 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc(F)c(Cl)cc2F)C1 ZINC001019307748 810697880 /nfs/dbraw/zinc/69/78/80/810697880.db2.gz UDLARRKIJQMCKW-VIFPVBQESA-N 0 3 298.720 2.056 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)CCc2cc(Cl)cs2)C1 ZINC001019444006 810710186 /nfs/dbraw/zinc/71/01/86/810710186.db2.gz CYHCWVJOQYIPBZ-LBPRGKRZSA-N 0 3 296.823 2.158 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC001019699576 810732437 /nfs/dbraw/zinc/73/24/37/810732437.db2.gz HOIRVPCPCSWZEI-NSHDSACASA-N 0 3 297.185 2.431 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001019848816 810744507 /nfs/dbraw/zinc/74/45/07/810744507.db2.gz ZECJJRFFCBMELV-UONOGXRCSA-N 0 3 262.397 2.027 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccccc2F)C1 ZINC001019937320 810750402 /nfs/dbraw/zinc/75/04/02/810750402.db2.gz CTIBZWOYDLNARV-XYPYZODXSA-N 0 3 282.746 2.429 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC001020316050 810789519 /nfs/dbraw/zinc/78/95/19/810789519.db2.gz GLELBPUVIWXHMA-KSTCHIGDSA-N 0 3 282.815 2.412 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(F)nc1 ZINC001085517992 810803549 /nfs/dbraw/zinc/80/35/49/810803549.db2.gz HGWDLYJJJUTDPL-AWEZNQCLSA-N 0 3 291.370 2.333 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001038327606 810823406 /nfs/dbraw/zinc/82/34/06/810823406.db2.gz PGYZQTXXAAJJMS-CYBMUJFWSA-N 0 3 273.380 2.272 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1coc(C)c1 ZINC001085565642 810828859 /nfs/dbraw/zinc/82/88/59/810828859.db2.gz PPISOCWHGOBFOT-AWEZNQCLSA-N 0 3 262.353 2.310 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cccc2nccn21 ZINC001038508470 810851919 /nfs/dbraw/zinc/85/19/19/810851919.db2.gz OATFCUMFQMUBCI-AWEZNQCLSA-N 0 3 298.390 2.105 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCN2CCC=C)cc1 ZINC001038580781 810866988 /nfs/dbraw/zinc/86/69/88/810866988.db2.gz DACGNVZWVCOECU-INIZCTEOSA-N 0 3 268.360 2.048 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001038645688 810876405 /nfs/dbraw/zinc/87/64/05/810876405.db2.gz NCYWSPFUSULADT-GOEBONIOSA-N 0 3 288.366 2.232 20 30 CEEDHN C=C1CCC(C(=O)NC[C@@H]2CCN2CC2CC2)CC1 ZINC001038661014 810883332 /nfs/dbraw/zinc/88/33/32/810883332.db2.gz JPDOQTRINIOCTK-HNNXBMFYSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccc(OC)c1C ZINC001038748677 810905631 /nfs/dbraw/zinc/90/56/31/810905631.db2.gz VJTRKFPZATYSTD-AWEZNQCLSA-N 0 3 288.391 2.384 20 30 CEEDHN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001038781703 810913654 /nfs/dbraw/zinc/91/36/54/810913654.db2.gz PXNLZTSOLOGWQD-HOTGVXAUSA-N 0 3 293.455 2.016 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001038867926 810932555 /nfs/dbraw/zinc/93/25/55/810932555.db2.gz WRCSKGCWAUROQZ-CYBMUJFWSA-N 0 3 288.395 2.057 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CCCC ZINC001085870270 810951421 /nfs/dbraw/zinc/95/14/21/810951421.db2.gz 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/nfs/dbraw/zinc/07/76/78/811077678.db2.gz LOUDLIUXPOVDFG-INIZCTEOSA-N 0 3 262.397 2.124 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H](OCC)C(C)C)CC1 ZINC001273417322 811086426 /nfs/dbraw/zinc/08/64/26/811086426.db2.gz GAIBGCUWNHPNQT-HZPDHXFCSA-N 0 3 294.439 2.042 20 30 CEEDHN Cn1ccnc1C(C#N)C(=O)c1coc(C(F)F)c1 ZINC001122519616 815421151 /nfs/dbraw/zinc/42/11/51/815421151.db2.gz ZKHYYSQMWPECLV-QMMMGPOBSA-N 0 3 265.219 2.441 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)[C@H]3CC=CCC3)C2)CC1 ZINC001040603803 811118228 /nfs/dbraw/zinc/11/82/28/811118228.db2.gz WDGVLFALXOUOPM-INIZCTEOSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)C=C3CCC3)C2)CC1 ZINC001040667395 811122865 /nfs/dbraw/zinc/12/28/65/811122865.db2.gz YZJUBTUQDPYPFM-UHFFFAOYSA-N 0 3 272.392 2.044 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCC2(F)F)C1 ZINC001086398226 811127871 /nfs/dbraw/zinc/12/78/71/811127871.db2.gz XXHVPEWSCIFITJ-GMTAPVOTSA-N 0 3 292.757 2.269 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3oc(C)cc3C)C2)C1 ZINC001041180156 811147248 /nfs/dbraw/zinc/14/72/48/811147248.db2.gz CGYWYYDSLSFZHX-KRWDZBQOSA-N 0 3 286.375 2.068 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)C(C)(C)C(=C)Cl)C2)C1 ZINC001041321272 811160431 /nfs/dbraw/zinc/16/04/31/811160431.db2.gz HNGTUFFMDHXPRP-MRXNPFEDSA-N 0 3 294.826 2.323 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3c(C)cccc3C)C2)C1 ZINC001041707597 811185508 /nfs/dbraw/zinc/18/55/08/811185508.db2.gz OGPYLGMJOBKLJO-IBGZPJMESA-N 0 3 296.414 2.475 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)/C=C\c3ccco3)C[C@@H]21 ZINC001041910026 811211543 /nfs/dbraw/zinc/21/15/43/811211543.db2.gz LTUGPIQVMTWOJJ-TWIRLKNGSA-N 0 3 298.386 2.239 20 30 CEEDHN C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001041952929 811224183 /nfs/dbraw/zinc/22/41/83/811224183.db2.gz JTPYINKUIMEYBN-DZGCQCFKSA-N 0 3 286.375 2.115 20 30 CEEDHN C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001041952929 811224190 /nfs/dbraw/zinc/22/41/90/811224190.db2.gz JTPYINKUIMEYBN-DZGCQCFKSA-N 0 3 286.375 2.115 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3coc(C)n3)C[C@H]21 ZINC001042030251 811234491 /nfs/dbraw/zinc/23/44/91/811234491.db2.gz YZLGYRUJXIFTSK-UKRRQHHQSA-N 0 3 289.379 2.096 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3C=CC=CC=C3)C[C@@H]21 ZINC001042075729 811241902 /nfs/dbraw/zinc/24/19/02/811241902.db2.gz FRGGBGLMWJKBIM-AEFFLSMTSA-N 0 3 296.414 2.231 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(C)c(C)n3)C[C@H]21 ZINC001042155619 811248738 /nfs/dbraw/zinc/24/87/38/811248738.db2.gz CYTSRGULEZTFMJ-DOTOQJQBSA-N 0 3 299.418 2.421 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)nc3C)C[C@@H]21 ZINC001042362331 811272882 /nfs/dbraw/zinc/27/28/82/811272882.db2.gz JPOKVORJKBXNMN-WBVHZDCISA-N 0 3 299.418 2.421 20 30 CEEDHN COC(=O)c1ccc(C(=O)C(C#N)c2cccc(F)n2)cc1 ZINC001122715068 815438224 /nfs/dbraw/zinc/43/82/24/815438224.db2.gz WDPKLHLJUBGYHU-LBPRGKRZSA-N 0 3 298.273 2.497 20 30 CEEDHN Cc1ccccc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001122851863 815448537 /nfs/dbraw/zinc/44/85/37/815448537.db2.gz YQLQGPJJYWGOSR-UHFFFAOYSA-N 0 3 293.370 2.386 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(C)c1C)C2 ZINC001095979525 811492231 /nfs/dbraw/zinc/49/22/31/811492231.db2.gz BRHQDFNLSHBPIH-KBMXLJTQSA-N 0 3 287.407 2.245 20 30 CEEDHN C[C@H](CCCC#N)N1CC[C@@](O)(C(F)(F)F)C1 ZINC001172493823 815452843 /nfs/dbraw/zinc/45/28/43/815452843.db2.gz OFFMAACNVNBGTJ-ZJUUUORDSA-N 0 3 250.264 2.068 20 30 CEEDHN C[C@H](CCCC#N)N1CCCC[C@@]12CC(=O)N(C)C2 ZINC001172493702 815453267 /nfs/dbraw/zinc/45/32/67/815453267.db2.gz CETUROYBCCEWCE-HIFRSBDPSA-N 0 3 263.385 2.156 20 30 CEEDHN N#CCc1cncc(N2CCCc3ccc(CN)nc32)c1 ZINC001169592480 811579223 /nfs/dbraw/zinc/57/92/23/811579223.db2.gz VCXXJXOZBDMYSL-UHFFFAOYSA-N 0 3 279.347 2.086 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)C2CC(F)(F)C2)CC1 ZINC001045402240 811607390 /nfs/dbraw/zinc/60/73/90/811607390.db2.gz BKVAERJSTQRWAK-UHFFFAOYSA-N 0 3 272.339 2.188 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2nc(CC)oc2C)CC1 ZINC001045584100 811628182 /nfs/dbraw/zinc/62/81/82/811628182.db2.gz MQGMSMKPJCYWBZ-UHFFFAOYSA-N 0 3 291.395 2.316 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cccn3ccnc23)CC1 ZINC001045585656 811628815 /nfs/dbraw/zinc/62/88/15/811628815.db2.gz XHAMMCUEMWQCPP-UHFFFAOYSA-N 0 3 298.390 2.105 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccoc2Cl)C1 ZINC001046272597 811727846 /nfs/dbraw/zinc/72/78/46/811727846.db2.gz KRCSEDZPEWDUMS-CQSZACIVSA-N 0 3 280.755 2.151 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@@]1(C)CCN(CC(=C)C)C1 ZINC001046373974 811745049 /nfs/dbraw/zinc/74/50/49/811745049.db2.gz IWGISSYCAYTXGR-KRWDZBQOSA-N 0 3 287.407 2.444 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(Cl)cn2C)C1 ZINC001046465585 811759245 /nfs/dbraw/zinc/75/92/45/811759245.db2.gz PYVJJSNRQRQIHY-HNNXBMFYSA-N 0 3 295.814 2.449 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc(C)c(F)c2)C1 ZINC001046464904 811760350 /nfs/dbraw/zinc/76/03/50/811760350.db2.gz LYJWHHINMQLUDD-KRWDZBQOSA-N 0 3 288.366 2.352 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001046517201 811767136 /nfs/dbraw/zinc/76/71/36/811767136.db2.gz VTRYUWWIUZUSIQ-HIFRSBDPSA-N 0 3 298.377 2.416 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CCCC1)C2 ZINC001108982485 811806865 /nfs/dbraw/zinc/80/68/65/811806865.db2.gz LHVCZWOUXSOXDE-KBMXLJTQSA-N 0 3 292.423 2.243 20 30 CEEDHN Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C#N)C3)c1 ZINC001109079000 811819821 /nfs/dbraw/zinc/81/98/21/811819821.db2.gz VDSNSDUBPIYORW-SIXLDLHFSA-N 0 3 297.402 2.376 20 30 CEEDHN C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCF ZINC001109120573 811826242 /nfs/dbraw/zinc/82/62/42/811826242.db2.gz ZUHARZXKANADBB-ILXRZTDVSA-N 0 3 298.402 2.050 20 30 CEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)C(C)(C)F)C2)CC1 ZINC001047218618 811870041 /nfs/dbraw/zinc/87/00/41/811870041.db2.gz DZNPPDDWBRUCHG-HNNXBMFYSA-N 0 3 294.414 2.318 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](C)OC ZINC001109596627 811912909 /nfs/dbraw/zinc/91/29/09/811912909.db2.gz YPHCZKRZLNBBNZ-XGUBFFRZSA-N 0 3 294.439 2.345 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)CC3CCCCC3)C[C@@H]2C1 ZINC001048667346 812005170 /nfs/dbraw/zinc/00/51/70/812005170.db2.gz ZCEHTIGVTGOBPC-CALCHBBNSA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCC[C@H](C)N1CCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC001112634743 812025891 /nfs/dbraw/zinc/02/58/91/812025891.db2.gz YRTPIKQSGBZFBW-GJZGRUSLSA-N 0 3 280.412 2.054 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc4occc4c3)C[C@@H]2C1 ZINC001048833213 812033987 /nfs/dbraw/zinc/03/39/87/812033987.db2.gz DFCHRKWWAAMHNT-IYBDPMFKSA-N 0 3 294.354 2.070 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3ccc(CCC)cc3)C[C@@H]2C1 ZINC001049016321 812059089 /nfs/dbraw/zinc/05/90/89/812059089.db2.gz JXBTZHPOFQFMPQ-HDICACEKSA-N 0 3 296.414 2.276 20 30 CEEDHN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC(C)(C)C ZINC001049327047 812119435 /nfs/dbraw/zinc/11/94/35/812119435.db2.gz MWUYRUCJSRZHCJ-KBPBESRZSA-N 0 3 262.397 2.121 20 30 CEEDHN C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001049342885 812124500 /nfs/dbraw/zinc/12/45/00/812124500.db2.gz GXJDSRPFWMMMFI-CVEARBPZSA-N 0 3 298.386 2.094 20 30 CEEDHN C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001049342885 812124505 /nfs/dbraw/zinc/12/45/05/812124505.db2.gz GXJDSRPFWMMMFI-CVEARBPZSA-N 0 3 298.386 2.094 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(F)nc1 ZINC001049382982 812133612 /nfs/dbraw/zinc/13/36/12/812133612.db2.gz PVFHGUAJQNOYNJ-ZIAGYGMSSA-N 0 3 289.354 2.086 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccncc1F ZINC001049399840 812138051 /nfs/dbraw/zinc/13/80/51/812138051.db2.gz ZJNQMNJLSVBHOA-LSDHHAIUSA-N 0 3 289.354 2.086 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1=CCCC1 ZINC001049416775 812141253 /nfs/dbraw/zinc/14/12/53/812141253.db2.gz XIRZQLBFWGDTQO-HUUCEWRRSA-N 0 3 260.381 2.348 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(C)ccn1C ZINC001049438225 812146671 /nfs/dbraw/zinc/14/66/71/812146671.db2.gz AWPHDHAUTSCLBY-LSDHHAIUSA-N 0 3 287.407 2.198 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCOCC1 ZINC001049448075 812148405 /nfs/dbraw/zinc/14/84/05/812148405.db2.gz QZBWNVHPZIHLNZ-OWCLPIDISA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccnc1C ZINC001049673886 812186144 /nfs/dbraw/zinc/18/61/44/812186144.db2.gz AOBAZFQYXFYXQY-HOTGVXAUSA-N 0 3 285.391 2.255 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)c1cccnc1 ZINC001049849297 812218172 /nfs/dbraw/zinc/21/81/72/812218172.db2.gz SLDTZMSZSSUHES-DJIMGWMZSA-N 0 3 299.418 2.436 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsc1)C2 ZINC001096776483 812274679 /nfs/dbraw/zinc/27/46/79/812274679.db2.gz WDYSDGAFHNFRTR-MCIONIFRSA-N 0 3 274.389 2.107 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)oc1C)C2 ZINC001096791376 812277886 /nfs/dbraw/zinc/27/78/86/812277886.db2.gz IWGYNSIQRREACO-BMFZPTHFSA-N 0 3 286.375 2.255 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C)C2 ZINC001096810455 812282506 /nfs/dbraw/zinc/28/25/06/812282506.db2.gz YWPWPSUDNKHRNR-MCIONIFRSA-N 0 3 274.364 2.499 20 30 CEEDHN C=C(C)CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ocnc1C)C2 ZINC001096920086 812294349 /nfs/dbraw/zinc/29/43/49/812294349.db2.gz GNVXBENYVZQGHP-MCIONIFRSA-N 0 3 289.379 2.284 20 30 CEEDHN CC(C)(S)CNc1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001170305089 812379537 /nfs/dbraw/zinc/37/95/37/812379537.db2.gz LPHBWTPDKJMFSG-GFCCVEGCSA-N 0 3 292.452 2.406 20 30 CEEDHN CCS(=O)(=O)c1ccc(CNC#C[Si](C)(C)C)cc1 ZINC001170323992 812387586 /nfs/dbraw/zinc/38/75/86/812387586.db2.gz KUFPJVSUAGUJHP-UHFFFAOYSA-N 0 3 295.480 2.408 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)CC1 ZINC001052670895 812444506 /nfs/dbraw/zinc/44/45/06/812444506.db2.gz JIMVDDOLWZTGNK-MRXNPFEDSA-N 0 3 295.386 2.385 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)C(C2CC2)C2CC2)CC1 ZINC001052855404 812467893 /nfs/dbraw/zinc/46/78/93/812467893.db2.gz OQXAMBGHGOIRDY-OAHLLOKOSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc(C)c(CC)o2)CC1 ZINC001052861756 812469584 /nfs/dbraw/zinc/46/95/84/812469584.db2.gz DMDYSTUOVPUGNW-CQSZACIVSA-N 0 3 288.391 2.368 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2ccc3c(c2)CCC3)CC1 ZINC001052925022 812476660 /nfs/dbraw/zinc/47/66/60/812476660.db2.gz MAAKRIXWMCWDNQ-SFHVURJKSA-N 0 3 296.414 2.393 20 30 CEEDHN COC(=O)[C@@H]1CCC[C@@H](N2CC[C@@](C)(C#N)C2)CC1 ZINC001172804758 815533331 /nfs/dbraw/zinc/53/33/31/815533331.db2.gz WRJHYSAJIISBEC-NFAWXSAZSA-N 0 3 264.369 2.344 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)/C=C/c1ccco1)C2 ZINC001054076250 812530052 /nfs/dbraw/zinc/53/00/52/812530052.db2.gz ZBWQWYDHFMWAHJ-DKFQHHCZSA-N 0 3 298.386 2.241 20 30 CEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccccn1)C2 ZINC001054073809 812531055 /nfs/dbraw/zinc/53/10/55/812531055.db2.gz XYSYLYKLHKVTCN-GOSISDBHSA-N 0 3 297.402 2.033 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C(C)=C1CCC1)C2 ZINC001054130294 812542797 /nfs/dbraw/zinc/54/27/97/812542797.db2.gz MMVSXZSXIMHNCR-GOSISDBHSA-N 0 3 286.419 2.435 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2ccnn2CC(F)(F)F)C1 ZINC001254649727 812560152 /nfs/dbraw/zinc/56/01/52/812560152.db2.gz VVMPUDSGFUPMJQ-VHSXEESVSA-N 0 3 272.274 2.227 20 30 CEEDHN CCc1ccc(C(=O)NCCNCc2cccc(C#N)c2)o1 ZINC001130351726 812560269 /nfs/dbraw/zinc/56/02/69/812560269.db2.gz JLEHEUMAVZCCTB-UHFFFAOYSA-N 0 3 297.358 2.233 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2ccnn2CC(F)(F)F)C1 ZINC001254649729 812560338 /nfs/dbraw/zinc/56/03/38/812560338.db2.gz VVMPUDSGFUPMJQ-ZJUUUORDSA-N 0 3 272.274 2.227 20 30 CEEDHN N#C[C@H]1CC[C@H](N2CCC[C@@H](C(F)(F)F)[C@H]2CO)C1 ZINC001254661546 812567076 /nfs/dbraw/zinc/56/70/76/812567076.db2.gz VJFYSNWZMDHAGM-NNYUYHANSA-N 0 3 276.302 2.314 20 30 CEEDHN C#CCNCCNC(=O)c1cc2cc(Cl)ccc2o1 ZINC001131002826 812627465 /nfs/dbraw/zinc/62/74/65/812627465.db2.gz TWGNADYXFSJIHV-UHFFFAOYSA-N 0 3 276.723 2.039 20 30 CEEDHN N#Cc1ccc(-c2ncc3c(n2)CNCC3)c(Cl)c1 ZINC001244329969 812677830 /nfs/dbraw/zinc/67/78/30/812677830.db2.gz YRLXGBBVQVNBQX-UHFFFAOYSA-N 0 3 270.723 2.314 20 30 CEEDHN C[C@@H](Nc1cc(Cl)ccc1CC#N)[C@H]1CNCCO1 ZINC001170576475 812701767 /nfs/dbraw/zinc/70/17/67/812701767.db2.gz VMEKJENXFRMONC-QMTHXVAHSA-N 0 3 279.771 2.195 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)CSC(C)C)CC[C@@H]1C ZINC001131861300 812740555 /nfs/dbraw/zinc/74/05/55/812740555.db2.gz JDWNGPDYTIESEC-UONOGXRCSA-N 0 3 282.453 2.120 20 30 CEEDHN C#CCNCCNC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001131899870 812748750 /nfs/dbraw/zinc/74/87/50/812748750.db2.gz WOKWUCRPOMJWJE-UHFFFAOYSA-N 0 3 264.413 2.178 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)N(CCOC)C1 ZINC001132057700 812781306 /nfs/dbraw/zinc/78/13/06/812781306.db2.gz SSBONJRGRLNWQR-ZBFHGGJFSA-N 0 3 294.439 2.370 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)c3cocc3C)[C@@H]2C1 ZINC001050116234 812784707 /nfs/dbraw/zinc/78/47/07/812784707.db2.gz QHWSPLBPJAUWAN-DZGCQCFKSA-N 0 3 274.364 2.310 20 30 CEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CC34CCC4)[C@@H]2C1 ZINC001050152245 812790253 /nfs/dbraw/zinc/79/02/53/812790253.db2.gz JDMSSHMQGPFIRB-HRCADAONSA-N 0 3 286.419 2.123 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)CC2(C)CC2)CC[C@@H]1C ZINC001132191162 812798913 /nfs/dbraw/zinc/79/89/13/812798913.db2.gz QZSPZRKAWMGCLX-STQMWFEESA-N 0 3 250.386 2.332 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)c3ccoc3C)C2)CC1 ZINC001050423875 812821387 /nfs/dbraw/zinc/82/13/87/812821387.db2.gz ILZJMSVGJURCIO-UHFFFAOYSA-N 0 3 286.375 2.149 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)c3cscc3C)C2)CC1 ZINC001050478353 812830770 /nfs/dbraw/zinc/83/07/70/812830770.db2.gz KEIDYWDXSDRJIR-UHFFFAOYSA-N 0 3 288.416 2.228 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)CCC2CCOCC2)CC[C@@H]1C ZINC001132335462 812831280 /nfs/dbraw/zinc/83/12/80/812831280.db2.gz OXRDYTCZUMDPFU-HOCLYGCPSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@@H]3CCC[C@H](F)C3)C2)CC1 ZINC001050518490 812834108 /nfs/dbraw/zinc/83/41/08/812834108.db2.gz APDLSZIGVRTNCQ-CABCVRRESA-N 0 3 292.398 2.072 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@H]3CCC[C@H](F)C3)C2)CC1 ZINC001050518493 812835193 /nfs/dbraw/zinc/83/51/93/812835193.db2.gz APDLSZIGVRTNCQ-GJZGRUSLSA-N 0 3 292.398 2.072 20 30 CEEDHN C#CCCCCCC(=O)NCCNC/C=C/Cl ZINC001132407409 812842423 /nfs/dbraw/zinc/84/24/23/812842423.db2.gz FTVIUODPJFFIGF-VQHVLOKHSA-N 0 3 256.777 2.028 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)C(C)(C)C(=C)C)C2)CC1 ZINC001050614167 812844044 /nfs/dbraw/zinc/84/40/44/812844044.db2.gz QPRSWCJRRMCTNE-UHFFFAOYSA-N 0 3 274.408 2.146 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)C3CCC(=C)CC3)C2)CC1 ZINC001050643576 812847392 /nfs/dbraw/zinc/84/73/92/812847392.db2.gz GGDRETDHGAKVDN-UHFFFAOYSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@]3(C)CCC[C@@H]3C)C2)CC1 ZINC001050650945 812847984 /nfs/dbraw/zinc/84/79/84/812847984.db2.gz IEZOBNMHANMJFF-DOTOQJQBSA-N 0 3 288.435 2.370 20 30 CEEDHN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1cnccc1C ZINC001132569219 812894057 /nfs/dbraw/zinc/89/40/57/812894057.db2.gz MVDLTVRJEJEVEC-OCCSQVGLSA-N 0 3 275.396 2.054 20 30 CEEDHN CC#CCCCC(=O)NCCNCc1ccnc(Cl)c1 ZINC001132591082 812903070 /nfs/dbraw/zinc/90/30/70/812903070.db2.gz GRQSTOUOFZXUQX-UHFFFAOYSA-N 0 3 293.798 2.134 20 30 CEEDHN CCOC(=O)C1(C#N)CCN([C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001172950317 815562713 /nfs/dbraw/zinc/56/27/13/815562713.db2.gz MOOBQEZVQWPSBR-ZIAGYGMSSA-N 0 3 294.395 2.113 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)CC2CCC2)CC1 ZINC001052280275 812961786 /nfs/dbraw/zinc/96/17/86/812961786.db2.gz OCNKXZPWKNZYGJ-HNNXBMFYSA-N 0 3 262.397 2.171 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H](C)n2cccc2)CC1 ZINC001052315608 812970433 /nfs/dbraw/zinc/97/04/33/812970433.db2.gz RKXHCQRZXMISPC-HZPDHXFCSA-N 0 3 287.407 2.043 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001052433477 812993087 /nfs/dbraw/zinc/99/30/87/812993087.db2.gz SJUHXZDACIHILJ-UONOGXRCSA-N 0 3 298.377 2.416 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)c2[nH]ccc2C2CC2)CC1 ZINC001052436669 812993670 /nfs/dbraw/zinc/99/36/70/812993670.db2.gz BCHUYWLKWMTCBL-OAHLLOKOSA-N 0 3 299.418 2.500 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)Cc2cccc(CC)c2)CC1 ZINC001052502016 813000230 /nfs/dbraw/zinc/00/02/30/813000230.db2.gz IRAAUUIMWXBJPD-SFHVURJKSA-N 0 3 298.430 2.395 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)Cc2cccc(CC)c2)CC1 ZINC001052502015 813002637 /nfs/dbraw/zinc/00/26/37/813002637.db2.gz IRAAUUIMWXBJPD-GOSISDBHSA-N 0 3 298.430 2.395 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(C)c(F)c2)CC1 ZINC001052540748 813003492 /nfs/dbraw/zinc/00/34/92/813003492.db2.gz LOYNWQOTOXWBGV-OAHLLOKOSA-N 0 3 288.366 2.352 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)c2cncc(CC)c2)CC1 ZINC001052556836 813006447 /nfs/dbraw/zinc/00/64/47/813006447.db2.gz COSQZSGNQNDZHH-KRWDZBQOSA-N 0 3 299.418 2.252 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCCC2(F)F)CC1 ZINC001052591293 813011139 /nfs/dbraw/zinc/01/11/39/813011139.db2.gz OGKKEKNOHWKVQK-KBPBESRZSA-N 0 3 298.377 2.416 20 30 CEEDHN CC#CCNCCNC(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001133244645 813016500 /nfs/dbraw/zinc/01/65/00/813016500.db2.gz KGFJOPHEUFWNEB-GFCCVEGCSA-N 0 3 278.783 2.173 20 30 CEEDHN O=C1C=C2CN(Cc3c[nH]c4ncccc34)CCC2S1 ZINC001137399485 813030748 /nfs/dbraw/zinc/03/07/48/813030748.db2.gz ZTMPCLFCEQXOQP-ZDUSSCGKSA-N 0 3 285.372 2.337 20 30 CEEDHN O=C1C=C2CN(Cc3c[nH]c4ncccc34)CC[C@@H]2S1 ZINC001137399485 813030754 /nfs/dbraw/zinc/03/07/54/813030754.db2.gz ZTMPCLFCEQXOQP-ZDUSSCGKSA-N 0 3 285.372 2.337 20 30 CEEDHN CCC(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001133417693 813052027 /nfs/dbraw/zinc/05/20/27/813052027.db2.gz FHZCJODJDIZZTQ-CHWSQXEVSA-N 0 3 273.380 2.341 20 30 CEEDHN C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)CC ZINC001133419237 813053489 /nfs/dbraw/zinc/05/34/89/813053489.db2.gz OHZPGPMSRNLAAV-VHSXEESVSA-N 0 3 277.206 2.178 20 30 CEEDHN C[C@H](C[C@@H](C)NC(=O)C1CC1)NCc1ccccc1C#N ZINC001133444857 813070790 /nfs/dbraw/zinc/07/07/90/813070790.db2.gz WZQHDQIPIJVXNU-CHWSQXEVSA-N 0 3 285.391 2.341 20 30 CEEDHN CNC(=O)C(C#N)C(=O)CSCc1ccc(Cl)cc1 ZINC000133267195 813078589 /nfs/dbraw/zinc/07/85/89/813078589.db2.gz CJPGFSNWHXFBIO-NSHDSACASA-N 0 3 296.779 2.028 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CCOCC1)C2 ZINC001098043388 813101257 /nfs/dbraw/zinc/10/12/57/813101257.db2.gz DWCCTQOXHWKZCF-KFWWJZLASA-N 0 3 292.423 2.101 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1C[C@H](C)O[C@@H]1C ZINC000384939237 813125611 /nfs/dbraw/zinc/12/56/11/813125611.db2.gz QQZJGEBCSRICDO-GZBFAFLISA-N 0 3 259.349 2.354 20 30 CEEDHN CC#CCNCCNC(=O)[C@H](C)CCc1ccccc1F ZINC001133700972 813139931 /nfs/dbraw/zinc/13/99/31/813139931.db2.gz XKBDYPYIDDQCSJ-CQSZACIVSA-N 0 3 290.382 2.124 20 30 CEEDHN C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1[O-] ZINC001133722373 813142525 /nfs/dbraw/zinc/14/25/25/813142525.db2.gz IDSHJQSNOQDJAP-OLZOCXBDSA-N 0 3 276.380 2.455 20 30 CEEDHN C[C@@H](C(=O)NCCNCc1ccc(C#N)cc1)c1ccco1 ZINC001133728617 813144779 /nfs/dbraw/zinc/14/47/79/813144779.db2.gz XQMBVXRHSXUOCD-CYBMUJFWSA-N 0 3 297.358 2.161 20 30 CEEDHN C#C[C@@H]1CCCN([C@H]2COc3cccc(OC)c3C2)C1 ZINC001173165997 815598178 /nfs/dbraw/zinc/59/81/78/815598178.db2.gz QKWOSNHHEQLZFE-ZIAGYGMSSA-N 0 3 271.360 2.344 20 30 CEEDHN C/C(=C\C(=O)NCCNCc1ccc(C#N)cc1)C1CC1 ZINC001124217010 815604415 /nfs/dbraw/zinc/60/44/15/815604415.db2.gz IPDYQFDOJOMCEW-JLHYYAGUSA-N 0 3 283.375 2.120 20 30 CEEDHN C#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1conc1C ZINC001134202132 813232970 /nfs/dbraw/zinc/23/29/70/813232970.db2.gz WEFXXEQIGPXZMN-CHWSQXEVSA-N 0 3 291.395 2.159 20 30 CEEDHN C#CCNCCNC(=O)[C@H](CC1CCCC1)C(C)C ZINC001134692456 813312103 /nfs/dbraw/zinc/31/21/03/813312103.db2.gz IAOHWBOHYKQZPF-OAHLLOKOSA-N 0 3 264.413 2.178 20 30 CEEDHN C=C(C)CN1CC[C@@]2(C1)CN(C(=O)C=C(C)C)C[C@@H](C)O2 ZINC001071128722 813323940 /nfs/dbraw/zinc/32/39/40/813323940.db2.gz ATELWSAURCKFEF-NVXWUHKLSA-N 0 3 292.423 2.221 20 30 CEEDHN CC#CCNCCNC(=O)CCCCCC(C)C ZINC001134783014 813325085 /nfs/dbraw/zinc/32/50/85/813325085.db2.gz RFIITHVJXWSBAC-UHFFFAOYSA-N 0 3 252.402 2.322 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccncc2)CC[C@H]1C ZINC001071312185 813360830 /nfs/dbraw/zinc/36/08/30/813360830.db2.gz HFOCVZOKNMYBKJ-UKRRQHHQSA-N 0 3 273.380 2.240 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccsc2)CC[C@H]1C ZINC001071334642 813367753 /nfs/dbraw/zinc/36/77/53/813367753.db2.gz JLMQWSHKNLHCCB-OCCSQVGLSA-N 0 3 276.405 2.354 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2occc2C)CC[C@@H]1C ZINC001071352176 813373832 /nfs/dbraw/zinc/37/38/32/813373832.db2.gz NSFQBEDAABSRNW-UONOGXRCSA-N 0 3 274.364 2.194 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[C@@H]1C ZINC001071427563 813403247 /nfs/dbraw/zinc/40/32/47/813403247.db2.gz NDGXIUOGVHIBAA-GXTWGEPZSA-N 0 3 286.379 2.045 20 30 CEEDHN C=CCCCC(=O)N[C@H](C)C[C@H](C)NCc1nccn1C ZINC001135354116 813414199 /nfs/dbraw/zinc/41/41/99/813414199.db2.gz RPNNBUQWSYDAAL-UONOGXRCSA-N 0 3 292.427 2.149 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C2(C3CC3)CC2)CC[C@H]1C ZINC001071597812 813445426 /nfs/dbraw/zinc/44/54/26/813445426.db2.gz OFNDYVLIFKWTSV-HIFRSBDPSA-N 0 3 274.408 2.169 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)Cc2occc2C)CC[C@H]1C ZINC001071812049 813488097 /nfs/dbraw/zinc/48/80/97/813488097.db2.gz RLZCCSXCWBIFAJ-HUUCEWRRSA-N 0 3 288.391 2.123 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2(C)CC(=C)C2)CC[C@@H]1C ZINC001071807186 813488549 /nfs/dbraw/zinc/48/85/49/813488549.db2.gz OBLQFRUBVFTMAI-LSDHHAIUSA-N 0 3 274.408 2.335 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2CC3(CC3)C2)CC[C@@H]1C ZINC001071817944 813490459 /nfs/dbraw/zinc/49/04/59/813490459.db2.gz JBJMSZQQOXJESM-DZGCQCFKSA-N 0 3 274.408 2.169 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccc[nH]2)CC[C@H]1C ZINC001072092693 813543075 /nfs/dbraw/zinc/54/30/75/813543075.db2.gz WDFAGRWAADMEAJ-UKRRQHHQSA-N 0 3 275.396 2.102 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3CC=CCC3)C2)C1 ZINC001072458084 813595473 /nfs/dbraw/zinc/59/54/73/813595473.db2.gz VUDZIGDQZZPYOV-CQSZACIVSA-N 0 3 260.381 2.063 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C3(C(F)(F)F)CC3)C2)C1 ZINC001073008849 813712269 /nfs/dbraw/zinc/71/22/69/813712269.db2.gz XYZFLCYJGQHDIQ-UHFFFAOYSA-N 0 3 288.313 2.049 20 30 CEEDHN CC(C)(C)SCCNC(=O)[C@H](N)CCCCC#N ZINC000691545919 813743844 /nfs/dbraw/zinc/74/38/44/813743844.db2.gz UTXHAEQNRXPRCL-LLVKDONJSA-N 0 3 271.430 2.046 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccccc2)C1 ZINC001073520979 813760179 /nfs/dbraw/zinc/76/01/79/813760179.db2.gz IEEZOVNYWUHRLP-INIZCTEOSA-N 0 3 288.391 2.083 20 30 CEEDHN C#CC1CCN(Cc2cnc3cc(C)ccn23)CC1 ZINC001136891262 813784957 /nfs/dbraw/zinc/78/49/57/813784957.db2.gz LWGHTHLBHFHKBH-UHFFFAOYSA-N 0 3 253.349 2.488 20 30 CEEDHN C=CC[C@@H](C)C(=O)NCCc1cnc2cc[nH]cc1-2 ZINC001144029083 813936509 /nfs/dbraw/zinc/93/65/09/813936509.db2.gz PGVHQPOITYGRFZ-LLVKDONJSA-N 0 3 257.337 2.434 20 30 CEEDHN C=CC[C@@H](C)C(=O)NCCc1c[nH]c2ccncc12 ZINC001144029083 813936514 /nfs/dbraw/zinc/93/65/14/813936514.db2.gz PGVHQPOITYGRFZ-LLVKDONJSA-N 0 3 257.337 2.434 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)nc2)C1 ZINC001098726828 813938671 /nfs/dbraw/zinc/93/86/71/813938671.db2.gz FHKADDXZTJIMNB-RDJZCZTQSA-N 0 3 285.391 2.160 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C2CC2)C1 ZINC001098778305 813947865 /nfs/dbraw/zinc/94/78/65/813947865.db2.gz ZLBOSNWSWNHCPG-KMFMINBZSA-N 0 3 274.408 2.027 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2csnc2C)C1 ZINC001098800497 813951681 /nfs/dbraw/zinc/95/16/81/813951681.db2.gz FDVWNSBAEOROHB-WFASDCNBSA-N 0 3 291.420 2.222 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001098897385 813962064 /nfs/dbraw/zinc/96/20/64/813962064.db2.gz ZIHIQAVQWOPPBH-OBJOEFQTSA-N 0 3 284.350 2.188 20 30 CEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)OC ZINC001098953229 813966122 /nfs/dbraw/zinc/96/61/22/813966122.db2.gz PUAWHOHVHDFLEZ-HUUCEWRRSA-N 0 3 294.439 2.042 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001098990142 813971538 /nfs/dbraw/zinc/97/15/38/813971538.db2.gz RDCYJMQOZVTWCA-QXUSFIETSA-N 0 3 286.419 2.027 20 30 CEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](F)CC ZINC001099183420 813993410 /nfs/dbraw/zinc/99/34/10/813993410.db2.gz UCOAKASGPQGEBI-KGLIPLIRSA-N 0 3 282.403 2.365 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C(CCC)CCC)[C@@H](O)C1 ZINC001099971463 814048888 /nfs/dbraw/zinc/04/88/88/814048888.db2.gz IMISDQURYSWFFA-CVEARBPZSA-N 0 3 296.455 2.330 20 30 CEEDHN C=CCCC(=O)NCC1CC(NCc2cncc(F)c2)C1 ZINC001100170330 814067789 /nfs/dbraw/zinc/06/77/89/814067789.db2.gz JJYRPQBHBKALGB-UHFFFAOYSA-N 0 3 291.370 2.171 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)C2CC2)C1 ZINC001100224146 814076777 /nfs/dbraw/zinc/07/67/77/814076777.db2.gz FADIHEKVIWJHDV-ZBOXLXRLSA-N 0 3 270.804 2.269 20 30 CEEDHN C#Cc1ccc(CN2CC[C@@H](Oc3ncc(C)cn3)C2)cc1 ZINC001144581058 814114442 /nfs/dbraw/zinc/11/44/42/814114442.db2.gz MAOVPODQTFQJIX-QGZVFWFLSA-N 0 3 293.370 2.420 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@@]3(CCC(=O)O3)C2)cc1 ZINC001144578715 814114974 /nfs/dbraw/zinc/11/49/74/814114974.db2.gz KJAAUQDLKNFBHX-QGZVFWFLSA-N 0 3 269.344 2.340 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001171210279 814161203 /nfs/dbraw/zinc/16/12/03/814161203.db2.gz RIDLJKBHEGLCAC-DFBGVHRSSA-N 0 3 292.329 2.455 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)CC(C)(F)F)C1 ZINC001100643798 814165950 /nfs/dbraw/zinc/16/59/50/814165950.db2.gz OLXDAZHCVWXDAO-UHFFFAOYSA-N 0 3 280.746 2.269 20 30 CEEDHN COC(CN(C)[C@H](C)Cc1cccc(C#N)c1)OC ZINC001171224265 814186755 /nfs/dbraw/zinc/18/67/55/814186755.db2.gz QLNDCBPLHNXDEO-GFCCVEGCSA-N 0 3 262.353 2.040 20 30 CEEDHN CCC(=O)N[C@@H]1CCCN([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171231373 814200532 /nfs/dbraw/zinc/20/05/32/814200532.db2.gz IVRQUWOIUGWTQS-WMLDXEAASA-N 0 3 299.418 2.480 20 30 CEEDHN CC#CCNCCNC(=O)c1cccc(-c2ccoc2)c1 ZINC001146947578 814350889 /nfs/dbraw/zinc/35/08/89/814350889.db2.gz BSDAGOFJGGTGJH-UHFFFAOYSA-N 0 3 282.343 2.289 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)/C=C/C(C)(C)C)C2)C1 ZINC001147229902 814410088 /nfs/dbraw/zinc/41/00/88/814410088.db2.gz AVLXUNKNELVBGI-BQYQJAHWSA-N 0 3 274.408 2.146 20 30 CEEDHN CC#CCNCCNC(=O)C[C@@H](CC)c1ccccc1 ZINC001147474849 814447395 /nfs/dbraw/zinc/44/73/95/814447395.db2.gz KHURYYGKAIQZCK-OAHLLOKOSA-N 0 3 272.392 2.299 20 30 CEEDHN CC#CCNCCNC(=O)C[C@@H](CC)C(C)(C)C ZINC001147506126 814455797 /nfs/dbraw/zinc/45/57/97/814455797.db2.gz KNEOYHSCMFDSHJ-CYBMUJFWSA-N 0 3 252.402 2.178 20 30 CEEDHN CC#CCNCCNC(=O)C[C@@H]1CCCC(C)(C)C1 ZINC001147864485 814508825 /nfs/dbraw/zinc/50/88/25/814508825.db2.gz AISBRZJFQRTULW-AWEZNQCLSA-N 0 3 264.413 2.322 20 30 CEEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C ZINC001104163218 814573195 /nfs/dbraw/zinc/57/31/95/814573195.db2.gz DZSXNRZCKTYNMQ-UKRRQHHQSA-N 0 3 296.842 2.473 20 30 CEEDHN C[C@H](C#N)c1cccc(C(=O)N2C[C@H]3CCCN(C)[C@@H]3C2)c1 ZINC001148615062 814596258 /nfs/dbraw/zinc/59/62/58/814596258.db2.gz INOKVBAIUUEMBS-KBRIMQKVSA-N 0 3 297.402 2.480 20 30 CEEDHN CC#CCNCCNC(=O)c1ccc(Cl)cc1Cl ZINC001148796642 814615600 /nfs/dbraw/zinc/61/56/00/814615600.db2.gz XIKREOYZOJAZHR-UHFFFAOYSA-N 0 3 285.174 2.336 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C(C)(C)C3CCC3)C[C@]2(C)C1 ZINC001091886902 814675200 /nfs/dbraw/zinc/67/52/00/814675200.db2.gz GEZNPSMZVMGQGX-QAPCUYQASA-N 0 3 288.435 2.226 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cc(C)cc(C)c1 ZINC001115079276 814679001 /nfs/dbraw/zinc/67/90/01/814679001.db2.gz WFAHTMIRXQGAMV-DZFIZOCASA-N 0 3 298.430 2.468 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc(C)co3)C[C@]2(C)C1 ZINC001091937379 814681377 /nfs/dbraw/zinc/68/13/77/814681377.db2.gz AXWYAMJJRUEYAW-PBHICJAKSA-N 0 3 286.375 2.005 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](CC)C(C)C ZINC001115136098 814683474 /nfs/dbraw/zinc/68/34/74/814683474.db2.gz MDAWDWRJBGSSJK-NYTXWWLZSA-N 0 3 264.413 2.291 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CC[C@@H]2CCCC[C@H]2C1)C1CC1 ZINC001115820407 814757435 /nfs/dbraw/zinc/75/74/35/814757435.db2.gz ISASJYBRELLJMN-GRDNDAEWSA-N 0 3 289.423 2.307 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCc3ncsc3C2)o1 ZINC001173133112 815593387 /nfs/dbraw/zinc/59/33/87/815593387.db2.gz SSLHLIJJXHVEDA-VIFPVBQESA-N 0 3 259.334 2.255 20 30 CEEDHN COC(=O)[C@@]1(C)CCCN1C1CCC(CC#N)CC1 ZINC001173331158 815678603 /nfs/dbraw/zinc/67/86/03/815678603.db2.gz MCQUZNPPAGBGOP-SSDMNJCBSA-N 0 3 264.369 2.486 20 30 CEEDHN Cc1nc2c(n1C1CCC(CC#N)CC1)CNCC2 ZINC001173337282 815682575 /nfs/dbraw/zinc/68/25/75/815682575.db2.gz FBLYULLCPJVTFA-UHFFFAOYSA-N 0 3 258.369 2.482 20 30 CEEDHN C#CCN1CCN(Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138257937 815756745 /nfs/dbraw/zinc/75/67/45/815756745.db2.gz DWHADSADWLNSLD-UHFFFAOYSA-N 0 3 281.403 2.238 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC=CC1)C2 ZINC001095255853 815814398 /nfs/dbraw/zinc/81/43/98/815814398.db2.gz ZVHNHXOYSQLDMC-ILXRZTDVSA-N 0 3 260.381 2.250 20 30 CEEDHN C=CCc1cccc(C[NH+]2CCC3(CC2)OCCO3)c1[O-] ZINC001138626738 815848777 /nfs/dbraw/zinc/84/87/77/815848777.db2.gz MTNLQRZOCOFIFX-UHFFFAOYSA-N 0 3 289.375 2.460 20 30 CEEDHN CN(C)Cc1ccccc1Nc1ncn(C)c1C#N ZINC001173928526 815861487 /nfs/dbraw/zinc/86/14/87/815861487.db2.gz BSGPEPYDCJQOFP-UHFFFAOYSA-N 0 3 255.325 2.097 20 30 CEEDHN C=CCOc1ccccc1CN1CCC(C)(C(N)=O)CC1 ZINC001139029556 815946320 /nfs/dbraw/zinc/94/63/20/815946320.db2.gz DGNVEZGNQHOPNW-UHFFFAOYSA-N 0 3 288.391 2.339 20 30 CEEDHN N#Cc1ccnc(-c2ccc(CN3CC(CO)C3)cc2)c1 ZINC001139406903 816020243 /nfs/dbraw/zinc/02/02/43/816020243.db2.gz JLKVEROCYVXJOL-UHFFFAOYSA-N 0 3 279.343 2.044 20 30 CEEDHN COCCN(CCOC)Cc1c[nH]c2c1cccc2C#N ZINC001139701634 816089370 /nfs/dbraw/zinc/08/93/70/816089370.db2.gz MYLCWYXHEXHMGP-UHFFFAOYSA-N 0 3 287.363 2.134 20 30 CEEDHN CCC1(CN2CCN(c3cccc(C#N)c3)CC2)COC1 ZINC001202963688 816094459 /nfs/dbraw/zinc/09/44/59/816094459.db2.gz FHMZVTBICZWSHJ-UHFFFAOYSA-N 0 3 285.391 2.107 20 30 CEEDHN N#Cc1c(F)cc(CN2CC(N3CCCC3)C2)cc1F ZINC001140754050 816345308 /nfs/dbraw/zinc/34/53/08/816345308.db2.gz NOTLOSMTUOEKDC-UHFFFAOYSA-N 0 3 277.318 2.116 20 30 CEEDHN C=CCC[C@H]1CCCN1Cc1cc(C(=O)OC)no1 ZINC001176771384 816476186 /nfs/dbraw/zinc/47/61/86/816476186.db2.gz KZXGEPAFIPCDOT-NSHDSACASA-N 0 3 264.325 2.392 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)C[C@H]1CCCO1 ZINC001177231084 816534666 /nfs/dbraw/zinc/53/46/66/816534666.db2.gz ZUZRNHUHZGPOJU-DGCLKSJQSA-N 0 3 288.819 2.040 20 30 CEEDHN C#CCNC(=O)CN(C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000839171074 816564799 /nfs/dbraw/zinc/56/47/99/816564799.db2.gz YAUZCZQVCQYVSS-JKSUJKDBSA-N 0 3 270.376 2.004 20 30 CEEDHN CC(C)(C)N1CC(NC(=O)C(C#N)Cc2cccs2)C1 ZINC001177917607 816643802 /nfs/dbraw/zinc/64/38/02/816643802.db2.gz KDMOVELLLQURRZ-NSHDSACASA-N 0 3 291.420 2.029 20 30 CEEDHN CN1CCC(N(C(=O)C2(C#N)CC2)C2CCCC2)CC1 ZINC001143182272 816802139 /nfs/dbraw/zinc/80/21/39/816802139.db2.gz ZHPHKGOIFJFHQJ-UHFFFAOYSA-N 0 3 275.396 2.156 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)C(F)=C(C)C)C1 ZINC001149536824 816875932 /nfs/dbraw/zinc/87/59/32/816875932.db2.gz ZLWUJVKGCHVODD-CYBMUJFWSA-N 0 3 284.375 2.033 20 30 CEEDHN C[C@@H](NCC[C@H](O)C(F)F)c1ccc(C#N)c(F)c1 ZINC000601297570 346814446 /nfs/dbraw/zinc/81/44/46/346814446.db2.gz ACNAFDFFDJYDBY-PELKAZGASA-N 0 3 272.270 2.364 20 30 CEEDHN Cn1nc2c(c1CN[C@@H]1CCC[C@H](C#N)C1)CCCC2 ZINC000336344334 365560178 /nfs/dbraw/zinc/56/01/78/365560178.db2.gz DMHNECWHRGAGQK-QWHCGFSZSA-N 0 3 272.396 2.471 20 30 CEEDHN N#Cc1ccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1 ZINC000079694612 343988167 /nfs/dbraw/zinc/98/81/67/343988167.db2.gz LQAAMZSZYKPEDP-MRXNPFEDSA-N 0 3 283.375 2.259 20 30 CEEDHN C=CCOc1ccccc1CNCCN1CCCC1 ZINC000034993533 361802808 /nfs/dbraw/zinc/80/28/08/361802808.db2.gz SGCGXHACPLDKOA-UHFFFAOYSA-N 0 3 260.381 2.437 20 30 CEEDHN C=C(C)COCCNCc1cccc(OC)c1OC ZINC000125788376 365685514 /nfs/dbraw/zinc/68/55/14/365685514.db2.gz GLEGSHCSZHWYEC-UHFFFAOYSA-N 0 3 265.353 2.386 20 30 CEEDHN C=CCOCCCNCc1cncc(OCC)c1 ZINC000621370851 349583074 /nfs/dbraw/zinc/58/30/74/349583074.db2.gz SQFSMICCFMMPPB-UHFFFAOYSA-N 0 3 250.342 2.163 20 30 CEEDHN N#CC1(C(=O)NC[C@@H]2CCCCN2C2CC2)CC2(CC2)C1 ZINC000601538114 346847331 /nfs/dbraw/zinc/84/73/31/346847331.db2.gz HARDMACUUOGIJU-AWEZNQCLSA-N 0 3 287.407 2.203 20 30 CEEDHN N#CC1(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC2(CC2)C1 ZINC000601662883 346872721 /nfs/dbraw/zinc/87/27/21/346872721.db2.gz TXWVLTKISOGYHM-UONOGXRCSA-N 0 3 287.407 2.203 20 30 CEEDHN N#CCc1ccccc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000601681934 346876782 /nfs/dbraw/zinc/87/67/82/346876782.db2.gz BHPQNHCOSCCUAC-INIZCTEOSA-N 0 3 297.402 2.499 20 30 CEEDHN C=CCOc1ccccc1CN1CCC[C@@](CO)(OC)C1 ZINC000668496438 539184400 /nfs/dbraw/zinc/18/44/00/539184400.db2.gz NRMZHSOCUYVOJW-QGZVFWFLSA-N 0 3 291.391 2.225 20 30 CEEDHN CC[C@H](C(=O)N(C)[C@H]1CCC[C@H]1C#N)N(CC)CC ZINC000601804627 346902313 /nfs/dbraw/zinc/90/23/13/346902313.db2.gz BYIIOWIEZNFBCV-MJBXVCDLSA-N 0 3 265.401 2.257 20 30 CEEDHN C=CCC[C@H](CO)N[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000621763219 349695440 /nfs/dbraw/zinc/69/54/40/349695440.db2.gz UBEUNBHBCRITMV-ZBFHGGJFSA-N 0 3 288.391 2.401 20 30 CEEDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cnn2cccnc12 ZINC000329166193 539235027 /nfs/dbraw/zinc/23/50/27/539235027.db2.gz HSZAQBUDHQPMRI-LBPRGKRZSA-N 0 3 299.378 2.051 20 30 CEEDHN C#CCOc1ccc(CN2CCC3(CC2)OCCO3)cc1 ZINC000126111802 187218035 /nfs/dbraw/zinc/21/80/35/187218035.db2.gz RRVXZRJUOSZKRU-UHFFFAOYSA-N 0 3 287.359 2.038 20 30 CEEDHN C=CCc1cc(CN(C)C2(CO)CCC2)cc(OC)c1O ZINC000668802499 539275653 /nfs/dbraw/zinc/27/56/53/539275653.db2.gz PKPZYKJIBKKQMC-UHFFFAOYSA-N 0 3 291.391 2.476 20 30 CEEDHN C=CCOc1ccccc1CNCCn1ccnc1 ZINC000041063323 362016624 /nfs/dbraw/zinc/01/66/24/362016624.db2.gz MAOKOUFMGXMIGK-UHFFFAOYSA-N 0 3 257.337 2.238 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)no1)C(C)C ZINC000046049247 362174120 /nfs/dbraw/zinc/17/41/20/362174120.db2.gz NAVLQFHWFBHAQA-CQSZACIVSA-N 0 3 291.395 2.411 20 30 CEEDHN CC1CCN(CCNC(=O)c2cccc(C#N)c2)CC1 ZINC000046956143 362191918 /nfs/dbraw/zinc/19/19/18/362191918.db2.gz BTUZKIHWGPVHJI-UHFFFAOYSA-N 0 3 271.364 2.020 20 30 CEEDHN CC1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000034673829 343420899 /nfs/dbraw/zinc/42/08/99/343420899.db2.gz ZOWBFZOAAVIFSJ-OAHLLOKOSA-N 0 3 274.364 2.030 20 30 CEEDHN N#Cc1ccc(OC[C@H](O)CNCc2cccs2)cc1 ZINC000037849027 343432025 /nfs/dbraw/zinc/43/20/25/343432025.db2.gz WLVXLVOAFWJRRS-CYBMUJFWSA-N 0 3 288.372 2.149 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)on1)C(C)C ZINC000047633917 362219050 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344674047 /nfs/dbraw/zinc/67/40/47/344674047.db2.gz AAUVFDAPIDRZON-TYNCELHUSA-N 0 3 272.348 2.360 20 30 CEEDHN COc1ccc(CN2CCC[C@@H](CO)CC2)cc1C#N ZINC000292991419 344690522 /nfs/dbraw/zinc/69/05/22/344690522.db2.gz CFPUCIKWESUWRN-CYBMUJFWSA-N 0 3 274.364 2.161 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000340643927 344769349 /nfs/dbraw/zinc/76/93/49/344769349.db2.gz XQLMSTHXAOJNBO-CVEARBPZSA-N 0 3 294.439 2.445 20 30 CEEDHN CCC(C#N)(CC)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000602549300 347072817 /nfs/dbraw/zinc/07/28/17/347072817.db2.gz AOYKGCNPHAEARZ-UHFFFAOYSA-N 0 3 287.363 2.437 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCO[C@]3(CCSC3)C2)n1 ZINC000602566638 347080827 /nfs/dbraw/zinc/08/08/27/347080827.db2.gz AELCEZVPLRCFBY-IUODEOHRSA-N 0 3 289.404 2.098 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389881882 344837292 /nfs/dbraw/zinc/83/72/92/344837292.db2.gz OSSDBSZFAZZNCS-IMJJTQAJSA-N 0 3 285.391 2.173 20 30 CEEDHN CCCN(C)c1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000602572421 347083082 /nfs/dbraw/zinc/08/30/82/347083082.db2.gz ZHXKZARIMXZDFZ-CYBMUJFWSA-N 0 3 288.395 2.492 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000382672236 344826546 /nfs/dbraw/zinc/82/65/46/344826546.db2.gz XIGUHFNBGBXKPE-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN C[C@H]1CCN[C@H](C(=O)N2CCc3c(CC#N)cccc3C2)C1 ZINC000602573980 347084167 /nfs/dbraw/zinc/08/41/67/347084167.db2.gz PBSMGHWYBBGOGS-GUYCJALGSA-N 0 3 297.402 2.025 20 30 CEEDHN COc1ccc(CN2CCC(CCO)CC2)cc1C#N ZINC000401083626 344866216 /nfs/dbraw/zinc/86/62/16/344866216.db2.gz QCTHWCZZTRKZLR-UHFFFAOYSA-N 0 3 274.364 2.161 20 30 CEEDHN CCN(CCOc1cccc(C#N)c1)[C@@H]1CCCOC1 ZINC000402864075 344874341 /nfs/dbraw/zinc/87/43/41/344874341.db2.gz YYOSVRNIRIWLHF-OAHLLOKOSA-N 0 3 274.364 2.438 20 30 CEEDHN COc1cc(CN(C)CC(C)(C)OC)ccc1C#N ZINC000404225474 344878596 /nfs/dbraw/zinc/87/85/96/344878596.db2.gz BPZOVAJZJDPOML-UHFFFAOYSA-N 0 3 262.353 2.424 20 30 CEEDHN C#CCN(C(=O)[C@H](CC)N(C)C)C1CCCCC1 ZINC000491620874 344912854 /nfs/dbraw/zinc/91/28/54/344912854.db2.gz HNEHYHMLXCMSMX-AWEZNQCLSA-N 0 3 250.386 2.121 20 30 CEEDHN COC[C@@](C)(O)CN[C@H](C)c1ccc(C#N)cc1Cl ZINC000584567317 344957448 /nfs/dbraw/zinc/95/74/48/344957448.db2.gz HIROHVHOMMCLLR-YGRLFVJLSA-N 0 3 282.771 2.260 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCN(c3ncccc3F)C2)C1 ZINC000584699175 344977464 /nfs/dbraw/zinc/97/74/64/344977464.db2.gz UFZNIVAPUILYNR-FRRDWIJNSA-N 0 3 274.343 2.081 20 30 CEEDHN N#Cc1ccccc1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000585718552 345011575 /nfs/dbraw/zinc/01/15/75/345011575.db2.gz KYNGPQGWZLCRPY-GOSISDBHSA-N 0 3 299.418 2.245 20 30 CEEDHN N#CCCCCN(Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000585718519 345011678 /nfs/dbraw/zinc/01/16/78/345011678.db2.gz JPEMOVGAIQJBKT-QGZVFWFLSA-N 0 3 288.391 2.334 20 30 CEEDHN C[C@@H](NC(=O)N1CCN2CCC1CC2)c1cccc(C#N)c1 ZINC000585745341 345012890 /nfs/dbraw/zinc/01/28/90/345012890.db2.gz DGALKLWVKJFHNQ-CYBMUJFWSA-N 0 3 298.390 2.109 20 30 CEEDHN C[C@@H](CNC(=O)CCCCCC#N)N(C)C1CC1 ZINC000588343393 345046622 /nfs/dbraw/zinc/04/66/22/345046622.db2.gz BRPOLFLJDMSEPA-LBPRGKRZSA-N 0 3 251.374 2.059 20 30 CEEDHN COc1ccc(CN(C)CCOCCC#N)cc1OC ZINC000590154622 345118109 /nfs/dbraw/zinc/11/81/09/345118109.db2.gz SGPZULGTUAMGFY-UHFFFAOYSA-N 0 3 278.352 2.066 20 30 CEEDHN C[C@@H](CNC(=O)CC1(C#N)CC1)N1CCCC[C@H]1C ZINC000590153874 345118152 /nfs/dbraw/zinc/11/81/52/345118152.db2.gz OVUWYUGBCVLBEZ-OLZOCXBDSA-N 0 3 263.385 2.059 20 30 CEEDHN CN(C)CCN(C(=O)c1cccc(C#N)n1)c1ccccc1 ZINC000589761813 345097552 /nfs/dbraw/zinc/09/75/52/345097552.db2.gz GIJYPFPEBHIVDY-UHFFFAOYSA-N 0 3 294.358 2.162 20 30 CEEDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000590046685 345111327 /nfs/dbraw/zinc/11/13/27/345111327.db2.gz MKWBAVNETYWPIR-HOCLYGCPSA-N 0 3 297.402 2.264 20 30 CEEDHN CN(C)C[C@H]1CCCN1c1nc(C#N)c(Cl)s1 ZINC000590586064 345148124 /nfs/dbraw/zinc/14/81/24/345148124.db2.gz JTJXLCIJDKVHEH-MRVPVSSYSA-N 0 3 270.789 2.199 20 30 CEEDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)c(C)c1 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Cc1cc(C#N)ccc1CN1CCC[C@H](n2ccnn2)C1 ZINC000591850812 345288202 /nfs/dbraw/zinc/28/82/02/345288202.db2.gz KIBUQIJKMQPRIX-INIZCTEOSA-N 0 3 281.363 2.295 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC000592567739 345369528 /nfs/dbraw/zinc/36/95/28/345369528.db2.gz XJWVWGGAQTWSMG-LSDHHAIUSA-N 0 3 277.412 2.483 20 30 CEEDHN CC(C)[C@@H](NCc1ccncc1C#N)[C@@H](CO)C(C)C ZINC000592124329 345325854 /nfs/dbraw/zinc/32/58/54/345325854.db2.gz CDGLRYAEYRVMHM-JKSUJKDBSA-N 0 3 275.396 2.332 20 30 CEEDHN Cc1cccc(C)c1CN(CC(=O)NCC#N)CC(C)C ZINC000592139024 345328502 /nfs/dbraw/zinc/32/85/02/345328502.db2.gz YZJVWOWYHZSSAE-UHFFFAOYSA-N 0 3 287.407 2.401 20 30 CEEDHN N#CC[C@]1(O)CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000592150353 345329940 /nfs/dbraw/zinc/32/99/40/345329940.db2.gz DXTCEYXAZRKSGY-INIZCTEOSA-N 0 3 256.349 2.026 20 30 CEEDHN Cc1cc(-n2ccnc2)ccc1CN1CC[C@@](O)(CC#N)C1 ZINC000592152901 345331278 /nfs/dbraw/zinc/33/12/78/345331278.db2.gz GMAFTFBBFNUFTP-KRWDZBQOSA-N 0 3 296.374 2.031 20 30 CEEDHN C[C@H]1CC2(CN1Cc1ccnc(C#N)c1)CCOCC2 ZINC000592183991 345334855 /nfs/dbraw/zinc/33/48/55/345334855.db2.gz NEQZNGPJFMCFPP-ZDUSSCGKSA-N 0 3 271.364 2.344 20 30 CEEDHN CC(C#N)C(=O)NCC[C@@H]1CSc2ccccc2O1 ZINC000592826184 345400269 /nfs/dbraw/zinc/40/02/69/345400269.db2.gz NJKLMAZSBJTOIK-WDEREUQCSA-N 0 3 276.361 2.206 20 30 CEEDHN CCCN(C(=O)CCCCCC#N)[C@@H]1CCN(C)C1 ZINC000592829782 345401840 /nfs/dbraw/zinc/40/18/40/345401840.db2.gz YRWKSXFLSXHSAZ-CQSZACIVSA-N 0 3 265.401 2.403 20 30 CEEDHN CCC(C#N)C(=O)N=c1ccn([C@@H](C)c2ccccc2)[nH]1 ZINC000593522067 345502911 /nfs/dbraw/zinc/50/29/11/345502911.db2.gz FAASZGYVDWGGEJ-QWHCGFSZSA-N 0 3 282.347 2.403 20 30 CEEDHN CCC(C#N)C(=O)N=c1ccn([C@H](C)c2ccccc2)[nH]1 ZINC000593522065 345502968 /nfs/dbraw/zinc/50/29/68/345502968.db2.gz FAASZGYVDWGGEJ-OLZOCXBDSA-N 0 3 282.347 2.403 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)NCC2(C#N)CCCC2)CCN1C ZINC000593427486 345483688 /nfs/dbraw/zinc/48/36/88/345483688.db2.gz RUDHHGJXNWYDMW-ZIAGYGMSSA-N 0 3 292.427 2.194 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)[C@@H](C#N)CC ZINC000593700353 345524539 /nfs/dbraw/zinc/52/45/39/345524539.db2.gz SWRCTTCIBRNBAZ-CQSZACIVSA-N 0 3 265.401 2.261 20 30 CEEDHN Cc1cc2c(cc1C#N)[nH]nc2NC(=O)C(C)C(F)(F)F ZINC000593844809 345545035 /nfs/dbraw/zinc/54/50/35/345545035.db2.gz QWKDUSORGOKXNY-SSDOTTSWSA-N 0 3 296.252 2.302 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)N1Cc2cccc(C#N)c2C1 ZINC000593892446 345549563 /nfs/dbraw/zinc/54/95/63/345549563.db2.gz UMVFTNWOWFFYIU-MRXNPFEDSA-N 0 3 283.375 2.275 20 30 CEEDHN CN(C)CCN(C(=O)CCCCC#N)C1CCCC1 ZINC000593989586 345561623 /nfs/dbraw/zinc/56/16/23/345561623.db2.gz SFFSQQXKLGYLIB-UHFFFAOYSA-N 0 3 265.401 2.403 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)NC(C)(C)CN(C)C ZINC000594040435 345571558 /nfs/dbraw/zinc/57/15/58/345571558.db2.gz FZIBZQWXUMIZDV-CYBMUJFWSA-N 0 3 287.407 2.193 20 30 CEEDHN N#Cc1cscc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594199452 345597809 /nfs/dbraw/zinc/59/78/09/345597809.db2.gz ZVDVWEFFKOTKMA-ZIAGYGMSSA-N 0 3 289.404 2.366 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594215438 345598565 /nfs/dbraw/zinc/59/85/65/345598565.db2.gz LMJJTEXHTJJXEY-PBHICJAKSA-N 0 3 299.418 2.337 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594407947 345622684 /nfs/dbraw/zinc/62/26/84/345622684.db2.gz RMVBTCFQRXSSOT-CHWSQXEVSA-N 0 3 283.375 2.273 20 30 CEEDHN Cc1cccc(CNC(=O)[C@H](N)CCCCC#N)c1 ZINC000594425804 345625631 /nfs/dbraw/zinc/62/56/31/345625631.db2.gz AIBKKLZUBQBAMT-CQSZACIVSA-N 0 3 259.353 2.023 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(F)c(F)c1 ZINC000594426681 345626584 /nfs/dbraw/zinc/62/65/84/345626584.db2.gz QYIXGHXOZHRMPU-LBPRGKRZSA-N 0 3 267.279 2.315 20 30 CEEDHN COc1ccc(NC(=O)[C@@H](N)CCCCC#N)c(C)c1 ZINC000594428282 345627095 /nfs/dbraw/zinc/62/70/95/345627095.db2.gz MERQCPAWCHMACK-ZDUSSCGKSA-N 0 3 275.352 2.353 20 30 CEEDHN CN(Cc1ccc(F)cc1F)C(=O)[C@@H](N)CCCCC#N ZINC000594427782 345627542 /nfs/dbraw/zinc/62/75/42/345627542.db2.gz JJLZRALSELSRMT-AWEZNQCLSA-N 0 3 295.333 2.334 20 30 CEEDHN CC(C)(CNC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594428805 345627569 /nfs/dbraw/zinc/62/75/69/345627569.db2.gz OVIDGPWVNGBNMX-OAHLLOKOSA-N 0 3 287.407 2.492 20 30 CEEDHN CCCN(C[C@@H]1CCCCO1)C(=O)[C@@H](N)CCCCC#N ZINC000594432808 345628598 /nfs/dbraw/zinc/62/85/98/345628598.db2.gz BYRQHBQIZBPORG-GJZGRUSLSA-N 0 3 295.427 2.205 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000594431279 345628606 /nfs/dbraw/zinc/62/86/06/345628606.db2.gz KXIUUIYHPHLMMN-CABCVRRESA-N 0 3 289.354 2.340 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000594430929 345628775 /nfs/dbraw/zinc/62/87/75/345628775.db2.gz DGWAIQRABGEWPO-HNNXBMFYSA-N 0 3 297.362 2.222 20 30 CEEDHN CC[C@]1(C)CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594433749 345629329 /nfs/dbraw/zinc/62/93/29/345629329.db2.gz RYZJMHYKXLMQBI-GXTWGEPZSA-N 0 3 251.374 2.046 20 30 CEEDHN CC(C)C[C@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594433511 345629340 /nfs/dbraw/zinc/62/93/40/345629340.db2.gz FZKSERNPGZRELI-KGLIPLIRSA-N 0 3 265.401 2.292 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000594433424 345629354 /nfs/dbraw/zinc/62/93/54/345629354.db2.gz PNROGKSVNBXOIJ-BFHYXJOUSA-N 0 3 295.452 2.284 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC1(c2ccc(F)cc2)CC1 ZINC000594434939 345629805 /nfs/dbraw/zinc/62/98/05/345629805.db2.gz WZOFKHGEDORLAV-CQSZACIVSA-N 0 3 289.354 2.342 20 30 CEEDHN Cc1cnc([C@@H](C)NC(=O)[C@@H](N)CCCCC#N)s1 ZINC000594437516 345630627 /nfs/dbraw/zinc/63/06/27/345630627.db2.gz CRAQNCYGWZGTSM-MNOVXSKESA-N 0 3 280.397 2.040 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccccn1 ZINC000594441137 345631186 /nfs/dbraw/zinc/63/11/86/345631186.db2.gz NNUWGQZLNXKPBZ-DZGCQCFKSA-N 0 3 286.379 2.156 20 30 CEEDHN CCN(C(=O)[C@@H](N)CCCCC#N)[C@@H](C)c1cccnc1 ZINC000594438988 345631425 /nfs/dbraw/zinc/63/14/25/345631425.db2.gz XXJZFPLBNLTEMO-ZFWWWQNUSA-N 0 3 288.395 2.402 20 30 CEEDHN CC[C@H](C)C[C@@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000594442992 345631807 /nfs/dbraw/zinc/63/18/07/345631807.db2.gz FELRNCVFHJJNAZ-XQQFMLRXSA-N 0 3 253.390 2.339 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCOC1CCCCCC1 ZINC000594444467 345632783 /nfs/dbraw/zinc/63/27/83/345632783.db2.gz NEWHNACZPUEIKQ-HNNXBMFYSA-N 0 3 295.427 2.253 20 30 CEEDHN N#Cc1cccc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)n1 ZINC000594130890 345589391 /nfs/dbraw/zinc/58/93/91/345589391.db2.gz LWDYUOVWRFPMSD-KGLIPLIRSA-N 0 3 299.378 2.092 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(C(=O)OC)oc1C ZINC000594606229 345659218 /nfs/dbraw/zinc/65/92/18/345659218.db2.gz INONXOIZJVFVNM-AAEUAGOBSA-N 0 3 279.336 2.055 20 30 CEEDHN CCN(C)C(=O)[C@@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594504481 345639734 /nfs/dbraw/zinc/63/97/34/345639734.db2.gz OVAIFOZKFUCUTN-CYBMUJFWSA-N 0 3 287.407 2.444 20 30 CEEDHN CCC(C)(C)N1CCN(c2ccnc(C#N)c2)CC1 ZINC000594592336 345653798 /nfs/dbraw/zinc/65/37/98/345653798.db2.gz VQITVBCSSFAOJB-UHFFFAOYSA-N 0 3 258.369 2.264 20 30 CEEDHN CCC(C)(C)[C@@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000595257115 345749691 /nfs/dbraw/zinc/74/96/91/345749691.db2.gz QIHPVULORIUYHC-VXGBXAGGSA-N 0 3 253.390 2.339 20 30 CEEDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000594928856 345705647 /nfs/dbraw/zinc/70/56/47/345705647.db2.gz HLECOJBAFVJCGT-UOVKNHIHSA-N 0 3 272.348 2.406 20 30 CEEDHN CCC(=O)N[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595297626 345756720 /nfs/dbraw/zinc/75/67/20/345756720.db2.gz HYXYCKLAGZXJSY-MRXNPFEDSA-N 0 3 285.391 2.091 20 30 CEEDHN CC(C)(CCC#N)CNCc1cn(C2CCC2)nn1 ZINC000594959586 345717183 /nfs/dbraw/zinc/71/71/83/345717183.db2.gz WZSVRFUTIRXWEQ-UHFFFAOYSA-N 0 3 261.373 2.423 20 30 CEEDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2cc(C#N)cs2)C1 ZINC000594963815 345718488 /nfs/dbraw/zinc/71/84/88/345718488.db2.gz JRZKQBALYUNIMT-GZBFAFLISA-N 0 3 294.420 2.275 20 30 CEEDHN Cn1cc(C[C@@H]2CCC[C@H]2NCc2ccc(C#N)o2)cn1 ZINC000594981382 345721499 /nfs/dbraw/zinc/72/14/99/345721499.db2.gz YLWRFTIEAGFWKP-XJKSGUPXSA-N 0 3 284.363 2.386 20 30 CEEDHN CC(C)(CNCc1ccc(C#N)s1)[C@]1(O)CCCOC1 ZINC000594995313 345723290 /nfs/dbraw/zinc/72/32/90/345723290.db2.gz HYXPHROYBMTYFG-HNNXBMFYSA-N 0 3 294.420 2.277 20 30 CEEDHN COC[C@H](CC1CCOCC1)NCc1cccc(C#N)c1 ZINC000595007855 345725290 /nfs/dbraw/zinc/72/52/90/345725290.db2.gz QEQZWHDXFBSQEP-KRWDZBQOSA-N 0 3 288.391 2.480 20 30 CEEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595029525 345730769 /nfs/dbraw/zinc/73/07/69/345730769.db2.gz YYXOEUGWSHKBTM-VXGBXAGGSA-N 0 3 294.351 2.439 20 30 CEEDHN C[C@H](NCCc1ccc(C#N)cc1)c1ccncn1 ZINC000595056017 345736219 /nfs/dbraw/zinc/73/62/19/345736219.db2.gz ORAHHVXEXNTPLA-LBPRGKRZSA-N 0 3 252.321 2.242 20 30 CEEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1ccnn1C ZINC000595058183 345736768 /nfs/dbraw/zinc/73/67/68/345736768.db2.gz YYUMYSPHPCRUKA-GFCCVEGCSA-N 0 3 254.337 2.185 20 30 CEEDHN C[C@H](CNC(=O)NCC1(C#N)CCCCC1)N(C)C1CC1 ZINC000595550778 345810283 /nfs/dbraw/zinc/81/02/83/345810283.db2.gz CHXHVZDYHUWSSC-CYBMUJFWSA-N 0 3 292.427 2.242 20 30 CEEDHN CCN1CCN(CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000595390259 345773246 /nfs/dbraw/zinc/77/32/46/345773246.db2.gz UPASWCWELKBWND-AWEZNQCLSA-N 0 3 257.381 2.127 20 30 CEEDHN C=CCSCCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000595493569 345795201 /nfs/dbraw/zinc/79/52/01/345795201.db2.gz SMOZYLHTRDOKPC-GFCCVEGCSA-N 0 3 285.457 2.078 20 30 CEEDHN C=CCSCCNC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000595493297 345795328 /nfs/dbraw/zinc/79/53/28/345795328.db2.gz QUNAPZZXHZZSML-CQSZACIVSA-N 0 3 299.484 2.325 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595507440 345798147 /nfs/dbraw/zinc/79/81/47/345798147.db2.gz NIIMRCGJGMCOQH-HOCLYGCPSA-N 0 3 292.427 2.196 20 30 CEEDHN N#Cc1ccc(CCN2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000595521182 345802720 /nfs/dbraw/zinc/80/27/20/345802720.db2.gz XDZSXKISJCVKME-KGLIPLIRSA-N 0 3 298.308 2.346 20 30 CEEDHN C[C@@H](N[C@@H]1Cc2ccccc2[C@@H]1C)C(=O)NC1(C#N)CCC1 ZINC000595707365 345855767 /nfs/dbraw/zinc/85/57/67/345855767.db2.gz MKJQGAPITOZXFP-WOSRLPQWSA-N 0 3 297.402 2.255 20 30 CEEDHN Cc1ccc(OC[C@@H](O)CN2CCC[C@H](CC#N)C2)cc1 ZINC000595610442 345827148 /nfs/dbraw/zinc/82/71/48/345827148.db2.gz YSRKZUWQRGGMNN-CVEARBPZSA-N 0 3 288.391 2.360 20 30 CEEDHN C=CCN(CCOc1ccccc1C#N)[C@H](C)COC ZINC000595646385 345836936 /nfs/dbraw/zinc/83/69/36/345836936.db2.gz IMVHOHBUTWOPDT-CQSZACIVSA-N 0 3 274.364 2.460 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC(C2CCC2)CC1 ZINC000595658080 345839957 /nfs/dbraw/zinc/83/99/57/345839957.db2.gz FNIFUNLIGMJZOD-CYBMUJFWSA-N 0 3 277.412 2.259 20 30 CEEDHN CO[C@]1(CO)CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000595661782 345841279 /nfs/dbraw/zinc/84/12/79/345841279.db2.gz LOMYZAOYKKEUQK-XJKSGUPXSA-N 0 3 274.364 2.093 20 30 CEEDHN CC(C)CC1(NCC(=O)NC2(C#N)CCCCC2)CC1 ZINC000595834492 345891516 /nfs/dbraw/zinc/89/15/16/345891516.db2.gz PFOXSSBIHYQSMX-UHFFFAOYSA-N 0 3 277.412 2.497 20 30 CEEDHN COc1ccc(CN2C[C@H]3COC[C@@]3(C)C2)cc1C#N ZINC000595756189 345867639 /nfs/dbraw/zinc/86/76/39/345867639.db2.gz FHGRYCYDYPUFMO-GOEBONIOSA-N 0 3 272.348 2.035 20 30 CEEDHN Cn1cc(C[C@@H]2CCC[C@H]2NC[C@H](C#N)CCC#N)cn1 ZINC000595768591 345872022 /nfs/dbraw/zinc/87/20/22/345872022.db2.gz IOVSOSRWNKBPLR-CWRNSKLLSA-N 0 3 285.395 2.164 20 30 CEEDHN CC(C)CN1CCN(c2nc3ncccc3cc2C#N)CC1 ZINC000596052206 345928450 /nfs/dbraw/zinc/92/84/50/345928450.db2.gz AYEGKJPQSYIHNR-UHFFFAOYSA-N 0 3 295.390 2.279 20 30 CEEDHN Cc1cc(CN2C[C@H](C)[C@@](C)(CO)C2)ccc1C#N ZINC000595861360 345900426 /nfs/dbraw/zinc/90/04/26/345900426.db2.gz UGHRPNWXZTZXPG-XJKSGUPXSA-N 0 3 258.365 2.317 20 30 CEEDHN N#Cc1ccc(CN2C[C@]34COC[C@@]3(C2)CCCC4)nc1 ZINC000595908942 345911599 /nfs/dbraw/zinc/91/15/99/345911599.db2.gz KBAWOBKZSPMJRY-CALCHBBNSA-N 0 3 283.375 2.346 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000595936752 345914877 /nfs/dbraw/zinc/91/48/77/345914877.db2.gz CWJJSYUIZJSAMH-UONOGXRCSA-N 0 3 263.385 2.212 20 30 CEEDHN N#CC1(CNC(=O)[C@H]2CNCc3ccccc32)CCCCC1 ZINC000595942189 345915969 /nfs/dbraw/zinc/91/59/69/345915969.db2.gz BJKKWNOQAYXTCB-INIZCTEOSA-N 0 3 297.402 2.464 20 30 CEEDHN C[C@]1(C#N)CCN(C(=O)[C@@H](N)CC2CCCCC2)C1 ZINC000595983144 345920615 /nfs/dbraw/zinc/92/06/15/345920615.db2.gz YVLDAMXXIUUXFU-DZGCQCFKSA-N 0 3 263.385 2.046 20 30 CEEDHN CN(C)CCN(Cc1ccccc1F)c1cc(C#N)cnn1 ZINC000596157770 345955235 /nfs/dbraw/zinc/95/52/35/345955235.db2.gz FLPSDPOUQMCTIP-UHFFFAOYSA-N 0 3 299.353 2.056 20 30 CEEDHN Cc1ccc(C#N)nc1N1CC[C@@]2(C1)CCCN(C)C2 ZINC000596243972 345978866 /nfs/dbraw/zinc/97/88/66/345978866.db2.gz MXQUTXUCXOQNON-INIZCTEOSA-N 0 3 270.380 2.184 20 30 CEEDHN CC[C@@H](C)N1CCN(c2nc3ncccc3cc2C#N)CC1 ZINC000596258595 345982925 /nfs/dbraw/zinc/98/29/25/345982925.db2.gz KPQRQHYICFSQGD-CYBMUJFWSA-N 0 3 295.390 2.422 20 30 CEEDHN Cc1nnc(N[C@H]2CCN(C(C)(C)C)C2)c(C#N)c1C ZINC000596337358 346003249 /nfs/dbraw/zinc/00/32/49/346003249.db2.gz VOLVWTFZBMIWHM-LBPRGKRZSA-N 0 3 273.384 2.250 20 30 CEEDHN C=CCCSCCN[C@@H](C)c1cnccc1N ZINC000596653038 346072005 /nfs/dbraw/zinc/07/20/05/346072005.db2.gz YTKRDQYNXDDHJA-NSHDSACASA-N 0 3 251.399 2.454 20 30 CEEDHN C=CCCSCCNC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000596716874 346079734 /nfs/dbraw/zinc/07/97/34/346079734.db2.gz CHJGEHRJRKSESN-AWEZNQCLSA-N 0 3 299.484 2.421 20 30 CEEDHN C[C@@H]1C[C@@H](O)CN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597109044 346128971 /nfs/dbraw/zinc/12/89/71/346128971.db2.gz YTLNXYVNXSRBDS-IUODEOHRSA-N 0 3 256.349 2.197 20 30 CEEDHN C[C@H](CC#N)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000597361862 346176613 /nfs/dbraw/zinc/17/66/13/346176613.db2.gz BJZWFYIFGPLYFQ-GFCCVEGCSA-N 0 3 279.409 2.188 20 30 CEEDHN COc1cc(CN(C)CC2=CCCOC2)ccc1C#N ZINC000597206606 346148955 /nfs/dbraw/zinc/14/89/55/346148955.db2.gz SNDSJIYKNYLADQ-UHFFFAOYSA-N 0 3 272.348 2.345 20 30 CEEDHN N#Cc1ccc(CN(CCn2ccnc2)C2CC2)cc1 ZINC000179454062 232393558 /nfs/dbraw/zinc/39/35/58/232393558.db2.gz GUEAFZMRQAJLSS-UHFFFAOYSA-N 0 3 266.348 2.419 20 30 CEEDHN C[C@@H](O)C1(NCc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000597235267 346157242 /nfs/dbraw/zinc/15/72/42/346157242.db2.gz WLAAAUPTLDOSBX-GFCCVEGCSA-N 0 3 258.365 2.491 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000597655114 346211737 /nfs/dbraw/zinc/21/17/37/346211737.db2.gz ZYGKYHOLKLBIKA-IJEWVQPXSA-N 0 3 285.391 2.315 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)CC3(C#N)CCCCC3)[C@H]2C1 ZINC000597483370 346192249 /nfs/dbraw/zinc/19/22/49/346192249.db2.gz DQLNJCBTBGNMFT-CABCVRRESA-N 0 3 289.423 2.403 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597791400 346231443 /nfs/dbraw/zinc/23/14/43/346231443.db2.gz MUVSLFLIGPDZDZ-LLVKDONJSA-N 0 3 293.317 2.003 20 30 CEEDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cc(C#N)cs1)C2 ZINC000597713698 346219921 /nfs/dbraw/zinc/21/99/21/346219921.db2.gz FWUSJKCEQWKABY-OAHLLOKOSA-N 0 3 289.404 2.178 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000597854248 346238277 /nfs/dbraw/zinc/23/82/77/346238277.db2.gz YOJLTWWNAPYIBJ-JSGCOSHPSA-N 0 3 272.348 2.166 20 30 CEEDHN CC[C@@H](C(=O)NCCc1ccc(C#N)cc1)N(CC)CC ZINC000597891940 346246548 /nfs/dbraw/zinc/24/65/48/346246548.db2.gz QTPLYDHQPFVAFG-INIZCTEOSA-N 0 3 287.407 2.337 20 30 CEEDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cccc(F)c2C#N)C1 ZINC000597926020 346254381 /nfs/dbraw/zinc/25/43/81/346254381.db2.gz ZMTNARJAOVHXEF-LLVKDONJSA-N 0 3 289.354 2.300 20 30 CEEDHN CC[C@H](C(=O)N([C@@H](C)C#N)C1CC1)N(CC)CC ZINC000598127850 346294173 /nfs/dbraw/zinc/29/41/73/346294173.db2.gz DNXSJIBLLSTORE-WCQYABFASA-N 0 3 251.374 2.010 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Nc1ccc(C#N)cc1 ZINC000085354942 179029597 /nfs/dbraw/zinc/02/95/97/179029597.db2.gz XZVYUGVKFDDRJT-DOMZBBRYSA-N 0 3 286.379 2.362 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)[C@H](N)CCCC#N ZINC000602586837 347090180 /nfs/dbraw/zinc/09/01/80/347090180.db2.gz WRRQIVHVOIJZCL-GFCCVEGCSA-N 0 3 251.374 2.116 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)Cc1ccc(C#N)cc1 ZINC000598260328 346315443 /nfs/dbraw/zinc/31/54/43/346315443.db2.gz ASOHGWTWYHTCNQ-OAHLLOKOSA-N 0 3 299.418 2.337 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000598296262 346321471 /nfs/dbraw/zinc/32/14/71/346321471.db2.gz LJJXYHUMCFMHFW-IJLUTSLNSA-N 0 3 264.369 2.389 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2=CCCC2)cc1 ZINC000598375993 346341817 /nfs/dbraw/zinc/34/18/17/346341817.db2.gz KGZXUHRISRDBNI-MRXNPFEDSA-N 0 3 279.343 2.467 20 30 CEEDHN CN1CCN(C[C@H](O)CC(C)(C)C#N)Cc2ccccc21 ZINC000598589828 346378394 /nfs/dbraw/zinc/37/83/94/346378394.db2.gz MDUALKMGTUAFMR-OAHLLOKOSA-N 0 3 287.407 2.239 20 30 CEEDHN CC[C@@H]1CN2CCCC[C@H]2CN1C[C@H](O)CC(C)(C)C#N ZINC000598593680 346380102 /nfs/dbraw/zinc/38/01/02/346380102.db2.gz VOKVNAONROOTTE-OWCLPIDISA-N 0 3 293.455 2.236 20 30 CEEDHN COC[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598599229 346381936 /nfs/dbraw/zinc/38/19/36/346381936.db2.gz BBICSRDBVNEMQB-CABCVRRESA-N 0 3 276.380 2.264 20 30 CEEDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1C[C@H](O)CC(C)(C)C#N ZINC000598601102 346382128 /nfs/dbraw/zinc/38/21/28/346382128.db2.gz ZDWFIEFOEQITDK-KGLIPLIRSA-N 0 3 290.411 2.464 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(F)c(F)c1 ZINC000598700690 346403389 /nfs/dbraw/zinc/40/33/89/346403389.db2.gz FJEPOFWEHFLKBQ-LLVKDONJSA-N 0 3 268.307 2.355 20 30 CEEDHN Cc1ccc2c(c1)[C@H](NC[C@H](O)CC(C)(C)C#N)CO2 ZINC000598727424 346410508 /nfs/dbraw/zinc/41/05/08/346410508.db2.gz XBJMMDMORMSVHR-TZMCWYRMSA-N 0 3 274.364 2.319 20 30 CEEDHN C[C@@H](NC(=O)NC[C@H]1CCCN1C)c1cccc(C#N)c1 ZINC000598999281 346444103 /nfs/dbraw/zinc/44/41/03/346444103.db2.gz PGLMNCPUSFSOBK-IUODEOHRSA-N 0 3 286.379 2.013 20 30 CEEDHN Cc1ccc(CN(C)C[C@@H](O)CC2(C#N)CCOCC2)o1 ZINC000599256753 346484669 /nfs/dbraw/zinc/48/46/69/346484669.db2.gz DZJIOCYOXQZWKY-AWEZNQCLSA-N 0 3 292.379 2.091 20 30 CEEDHN CN(C(=O)c1cccc2c1CNC2)[C@H]1CCC[C@H]1C#N ZINC000602597332 347094127 /nfs/dbraw/zinc/09/41/27/347094127.db2.gz BBXDLZJSQVGMDO-NHYWBVRUSA-N 0 3 269.348 2.054 20 30 CEEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc(C#N)c1 ZINC000599348600 346503818 /nfs/dbraw/zinc/50/38/18/346503818.db2.gz HQAFYTFQVKHMGT-WFASDCNBSA-N 0 3 269.348 2.264 20 30 CEEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000599349104 346504038 /nfs/dbraw/zinc/50/40/38/346504038.db2.gz DEPNECWRPNLWSL-FZMZJTMJSA-N 0 3 289.335 2.300 20 30 CEEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc2c(c1)OCO2 ZINC000599350500 346504197 /nfs/dbraw/zinc/50/41/97/346504197.db2.gz SVYFGDATBHORFV-AAEUAGOBSA-N 0 3 288.347 2.121 20 30 CEEDHN CC[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1c(C)noc1C ZINC000599359752 346506407 /nfs/dbraw/zinc/50/64/07/346506407.db2.gz UCEGCMHCCQTOCV-QWHCGFSZSA-N 0 3 277.368 2.387 20 30 CEEDHN CCO[C@@H]1COCC[C@H]1NCc1ccc(C)c(C#N)c1 ZINC000599372297 346509265 /nfs/dbraw/zinc/50/92/65/346509265.db2.gz YRIBMUIKDJPNOE-HZPDHXFCSA-N 0 3 274.364 2.150 20 30 CEEDHN CCO[C@@H]1COCC[C@@H]1NCc1ccc(C)c(C#N)c1 ZINC000599372298 346509468 /nfs/dbraw/zinc/50/94/68/346509468.db2.gz YRIBMUIKDJPNOE-JKSUJKDBSA-N 0 3 274.364 2.150 20 30 CEEDHN COCC1(NCc2ccc(C)c(C#N)c2)CCOCC1 ZINC000599427011 346517148 /nfs/dbraw/zinc/51/71/48/346517148.db2.gz CRLWYXYKJYXMBY-UHFFFAOYSA-N 0 3 274.364 2.152 20 30 CEEDHN Cc1ccc(CN2CCC[C@H](N3CCOCC3)C2)cc1C#N ZINC000599431762 346517852 /nfs/dbraw/zinc/51/78/52/346517852.db2.gz COQOHZTYQPXBPO-SFHVURJKSA-N 0 3 299.418 2.163 20 30 CEEDHN C[C@H](C(=O)N(C)[C@@H]1CCC[C@@H]1C#N)[C@@H](N)c1ccccc1 ZINC000602604701 347096397 /nfs/dbraw/zinc/09/63/97/347096397.db2.gz ZVFOIDBHYIOQMD-LCGIIJARSA-N 0 3 285.391 2.473 20 30 CEEDHN Cc1sccc1NC(=O)[C@H](N)CCCCC#N ZINC000602603120 347096415 /nfs/dbraw/zinc/09/64/15/347096415.db2.gz QHWGDEZOHSPKIG-SNVBAGLBSA-N 0 3 251.355 2.406 20 30 CEEDHN Cc1ccc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1C#N ZINC000599338922 346502029 /nfs/dbraw/zinc/50/20/29/346502029.db2.gz JUQDLAXCWSWKMG-IRXDYDNUSA-N 0 3 297.402 2.357 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCCC2(CC2)CC1 ZINC000599672427 346560152 /nfs/dbraw/zinc/56/01/52/346560152.db2.gz DFEIPYUSXHEXTE-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN N#CCc1cccc2c1CCN(CCCn1ccnc1)C2 ZINC000599678752 346562415 /nfs/dbraw/zinc/56/24/15/346562415.db2.gz XZRJSQTUYMULFB-UHFFFAOYSA-N 0 3 280.375 2.398 20 30 CEEDHN C=CCOCCN1CCc2c(CC#N)cccc2C1 ZINC000599679029 346562574 /nfs/dbraw/zinc/56/25/74/346562574.db2.gz VDNKNTHUUZAARR-UHFFFAOYSA-N 0 3 256.349 2.313 20 30 CEEDHN CC(C)(C)CCN1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000129054709 365820664 /nfs/dbraw/zinc/82/06/64/365820664.db2.gz QRYFOBGJJFYKBJ-OAHLLOKOSA-N 0 3 276.428 2.484 20 30 CEEDHN C[C@@H]1CN(CCOCCC#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599582810 346542205 /nfs/dbraw/zinc/54/22/05/346542205.db2.gz PDSKAWGIMWZYRA-ZIAGYGMSSA-N 0 3 296.411 2.216 20 30 CEEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000599625311 346547839 /nfs/dbraw/zinc/54/78/39/346547839.db2.gz IQUFSZKNGZPQKH-RSQPEXBXSA-N 0 3 289.335 2.368 20 30 CEEDHN N#CC1(C(=O)NCCN2CCCCCC2)CC2(CC2)C1 ZINC000600994813 346728217 /nfs/dbraw/zinc/72/82/17/346728217.db2.gz IMJLHUGCJATRSJ-UHFFFAOYSA-N 0 3 275.396 2.063 20 30 CEEDHN CC(C)(C)[C@H](N)c1cn(Cc2cccc(C#N)c2)nn1 ZINC000600972607 346723346 /nfs/dbraw/zinc/72/33/46/346723346.db2.gz LETHAZVJBQMRTQ-CQSZACIVSA-N 0 3 269.352 2.244 20 30 CEEDHN N#CC1(C[C@H](O)CNCc2ccccc2OC(F)F)CC1 ZINC000600717606 346677325 /nfs/dbraw/zinc/67/73/25/346677325.db2.gz NCRDQQGHKWKAQE-LBPRGKRZSA-N 0 3 296.317 2.432 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCc3ccc(F)cc32)CC1 ZINC000600719663 346677870 /nfs/dbraw/zinc/67/78/70/346677870.db2.gz DQSVHOITRNIDKD-UKRRQHHQSA-N 0 3 274.339 2.457 20 30 CEEDHN N#C[C@@H]1CC[C@H](n2cc(CCN3CCCCC3)nn2)C1 ZINC000600812787 346694858 /nfs/dbraw/zinc/69/48/58/346694858.db2.gz FXAXUJGTIRMHOI-HIFRSBDPSA-N 0 3 273.384 2.171 20 30 CEEDHN Cc1cc(C#N)cc(N(C)[C@@H]2CCN(C)[C@H](C)C2)n1 ZINC000601118238 346757789 /nfs/dbraw/zinc/75/77/89/346757789.db2.gz ASLSDJRMDAHCIP-TZMCWYRMSA-N 0 3 258.369 2.181 20 30 CEEDHN C[C@@H]1CN(c2cc(C#N)nc(C3CC3)n2)CCN(C2CC2)C1 ZINC000601170011 346775566 /nfs/dbraw/zinc/77/55/66/346775566.db2.gz ITJBPICBGRHOIP-LBPRGKRZSA-N 0 3 297.406 2.146 20 30 CEEDHN C[C@@H](CNc1cc(C#N)nc(C2CC2)n1)N1CCC[C@H](C)C1 ZINC000601104941 346754106 /nfs/dbraw/zinc/75/41/06/346754106.db2.gz NOORUMYDMYCMCC-STQMWFEESA-N 0 3 299.422 2.180 20 30 CEEDHN N#Cc1cccc(CNC[C@H]2CCCCN2C2CC2)n1 ZINC000602633707 347114352 /nfs/dbraw/zinc/11/43/52/347114352.db2.gz NZJVZAVSTLXFIG-MRXNPFEDSA-N 0 3 270.380 2.060 20 30 CEEDHN Cc1cccc2c1OC[C@@H](NCc1cccc(C#N)n1)C2 ZINC000602674502 347137125 /nfs/dbraw/zinc/13/71/25/347137125.db2.gz DEPQCSLJNKDVLK-INIZCTEOSA-N 0 3 279.343 2.355 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)n1 ZINC000602676492 347137715 /nfs/dbraw/zinc/13/77/15/347137715.db2.gz QUKNTVUIDGRVGN-XHSDSOJGSA-N 0 3 271.364 2.079 20 30 CEEDHN N#Cc1cccc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)n1 ZINC000602679608 347140916 /nfs/dbraw/zinc/14/09/16/347140916.db2.gz MHNNMXWGASXIEL-ZACQAIPSSA-N 0 3 285.391 2.469 20 30 CEEDHN CCO[C@@H]1CCCC[C@H]1NCc1cccc(C#N)n1 ZINC000602685771 347145089 /nfs/dbraw/zinc/14/50/89/347145089.db2.gz LEWHSVDNGCKNEP-HUUCEWRRSA-N 0 3 259.353 2.391 20 30 CEEDHN CS(=O)(=O)c1ccccc1CNC1CCC(C#N)CC1 ZINC000602692549 347151053 /nfs/dbraw/zinc/15/10/53/347151053.db2.gz XXJLNXJWXQOHRI-UHFFFAOYSA-N 0 3 292.404 2.262 20 30 CEEDHN COC[C@H](CC(C)(C)C)NCc1cccc(C#N)n1 ZINC000602703766 347158254 /nfs/dbraw/zinc/15/82/54/347158254.db2.gz AJWXLCOZFASMSM-AWEZNQCLSA-N 0 3 261.369 2.494 20 30 CEEDHN Cc1cccc2c1C[C@H](NCc1cccc(C#N)n1)CO2 ZINC000602720450 347169867 /nfs/dbraw/zinc/16/98/67/347169867.db2.gz HGDFXMIGRUPBJL-HNNXBMFYSA-N 0 3 279.343 2.355 20 30 CEEDHN CCOC(=O)c1ccc(CNC[C@H](C)CCC#N)o1 ZINC000602656843 347126707 /nfs/dbraw/zinc/12/67/07/347126707.db2.gz OMHPWZMGCRPKDJ-LLVKDONJSA-N 0 3 264.325 2.486 20 30 CEEDHN C[C@H](CCC#N)CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000602660555 347128515 /nfs/dbraw/zinc/12/85/15/347128515.db2.gz FOBWHWREDNAUEC-UTUOFQBUSA-N 0 3 278.318 2.419 20 30 CEEDHN CCCN(CCN1CCCC1)Cc1cccc(C#N)n1 ZINC000602662571 347129287 /nfs/dbraw/zinc/12/92/87/347129287.db2.gz PLBYBGKAZBNOEX-UHFFFAOYSA-N 0 3 272.396 2.261 20 30 CEEDHN C[C@H](CCC#N)CNCC(=O)Nc1cccc(F)c1 ZINC000602665408 347131243 /nfs/dbraw/zinc/13/12/43/347131243.db2.gz IWVHNIUPBHBQPX-LLVKDONJSA-N 0 3 263.316 2.294 20 30 CEEDHN N#CCC1(CN2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000602787571 347198131 /nfs/dbraw/zinc/19/81/31/347198131.db2.gz WMKLMCPFCQDTSH-AWEZNQCLSA-N 0 3 275.396 2.015 20 30 CEEDHN N#CCC1(CN2CCC(OC[C@H]3CCOC3)CC2)CC1 ZINC000602798684 347204185 /nfs/dbraw/zinc/20/41/85/347204185.db2.gz NUHZRVRXXGWBRI-AWEZNQCLSA-N 0 3 278.396 2.198 20 30 CEEDHN C[C@H](CCC#N)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602733778 347177921 /nfs/dbraw/zinc/17/79/21/347177921.db2.gz VQMSDPODZDJNGA-IUODEOHRSA-N 0 3 291.351 2.332 20 30 CEEDHN CC[C@@]1(O)CCCN(Cc2cc(C#N)cs2)C1 ZINC000602739122 347180984 /nfs/dbraw/zinc/18/09/84/347180984.db2.gz JMUCSGVOHNJNNM-CYBMUJFWSA-N 0 3 250.367 2.357 20 30 CEEDHN N#Cc1cccc(CN[C@@H](C2CCC2)[C@@H]2CCCO2)n1 ZINC000602741261 347181622 /nfs/dbraw/zinc/18/16/22/347181622.db2.gz HDEUVEKBXZTKCD-HOTGVXAUSA-N 0 3 271.364 2.391 20 30 CEEDHN CO[C@@H](CN1C[C@@H](C)N(CC#N)[C@@H](C)C1)C1CCCCC1 ZINC000602851739 347224248 /nfs/dbraw/zinc/22/42/48/347224248.db2.gz XLCVWDKDLDYJJL-UXLLHSPISA-N 0 3 293.455 2.500 20 30 CEEDHN Cn1ccnc1[C@@H](NCCCC(C)(C)C#N)C(C)(C)CO ZINC000602882620 347237167 /nfs/dbraw/zinc/23/71/67/347237167.db2.gz OHPUHWMTIHFYAF-CYBMUJFWSA-N 0 3 292.427 2.399 20 30 CEEDHN N#Cc1ccc(OCCN2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000602883668 347237837 /nfs/dbraw/zinc/23/78/37/347237837.db2.gz WYJVSPQXXRFAKD-MRXNPFEDSA-N 0 3 282.347 2.497 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@H](n3ccnn3)CC2)c1 ZINC000602888197 347239058 /nfs/dbraw/zinc/23/90/58/347239058.db2.gz LQRXAMRMKOOEBR-INIZCTEOSA-N 0 3 281.363 2.377 20 30 CEEDHN N#Cc1ccccc1NC1CCN(CCc2cn[nH]c2)CC1 ZINC000602901960 347242039 /nfs/dbraw/zinc/24/20/39/347242039.db2.gz SRMBBBWAIIIUBU-UHFFFAOYSA-N 0 3 295.390 2.400 20 30 CEEDHN N#Cc1ccc(C2CCN(CCc3cnccn3)CC2)nc1 ZINC000602907237 347243687 /nfs/dbraw/zinc/24/36/87/347243687.db2.gz QMULUPAFNMPHLR-UHFFFAOYSA-N 0 3 293.374 2.165 20 30 CEEDHN N#Cc1ccc(C2CCN(CCc3cn[nH]c3)CC2)nc1 ZINC000602908387 347244251 /nfs/dbraw/zinc/24/42/51/347244251.db2.gz QQYHWYPCOAKZKO-UHFFFAOYSA-N 0 3 281.363 2.098 20 30 CEEDHN COC(=O)[C@@H]1C[C@@H](C)N(CC2(CC#N)CC2)[C@@H](C)C1 ZINC000602916564 347246279 /nfs/dbraw/zinc/24/62/79/347246279.db2.gz IHVAEUWHAHBWLJ-CLLJXQQHSA-N 0 3 264.369 2.342 20 30 CEEDHN COC(=O)c1cc(C2CCN(CCCCC#N)CC2)no1 ZINC000603000514 347270645 /nfs/dbraw/zinc/27/06/45/347270645.db2.gz CGFHYNFGWCGRQK-UHFFFAOYSA-N 0 3 291.351 2.334 20 30 CEEDHN COCc1cc(C#N)ccc1N1CCN(C(C)C)CC1 ZINC000603272086 347326575 /nfs/dbraw/zinc/32/65/75/347326575.db2.gz RVNWMACZPJUKDX-UHFFFAOYSA-N 0 3 273.380 2.235 20 30 CEEDHN CC[C@H](N)c1cn([C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000603227233 347315503 /nfs/dbraw/zinc/31/55/03/347315503.db2.gz KSDQPIMKCZLQJU-GWCFXTLKSA-N 0 3 255.325 2.169 20 30 CEEDHN N#CC1(Cn2cc(CNC3CCCC3)nn2)CCC1 ZINC000603257184 347322471 /nfs/dbraw/zinc/32/24/71/347322471.db2.gz SLTRGDMBBCQOFQ-UHFFFAOYSA-N 0 3 259.357 2.004 20 30 CEEDHN C=CCCOCC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000604295214 347408774 /nfs/dbraw/zinc/40/87/74/347408774.db2.gz SOPVRNWGQXIQMQ-UHFFFAOYSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCOCC(=O)N(CCN1CCCC1)c1ccccc1 ZINC000606814524 347493551 /nfs/dbraw/zinc/49/35/51/347493551.db2.gz MKCZMHRCIPFMCU-UHFFFAOYSA-N 0 3 288.391 2.318 20 30 CEEDHN N#C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000609416143 347638919 /nfs/dbraw/zinc/63/89/19/347638919.db2.gz MXPOZZDEDPCRBG-QGZVFWFLSA-N 0 3 297.402 2.317 20 30 CEEDHN C[C@@H](NC1CCN(CC#N)CC1)c1ccccc1F ZINC000609574597 347644055 /nfs/dbraw/zinc/64/40/55/347644055.db2.gz AVWSHNABJIRTDH-GFCCVEGCSA-N 0 3 261.344 2.464 20 30 CEEDHN CC(C)[C@H](NCc1cccc(C#N)c1)C(=O)N1CCCC1 ZINC000609616210 347646377 /nfs/dbraw/zinc/64/63/77/347646377.db2.gz MRCMHELKIHKSAF-INIZCTEOSA-N 0 3 285.391 2.295 20 30 CEEDHN N#Cc1ccccc1N1CCCN([C@H]2CCCOC2)CC1 ZINC000610560012 347691922 /nfs/dbraw/zinc/69/19/22/347691922.db2.gz MAZZUQVUFYPCNY-INIZCTEOSA-N 0 3 285.391 2.249 20 30 CEEDHN COC[C@H]1CCCN1CCOc1ccc(C#N)cc1OC ZINC000610605141 347695665 /nfs/dbraw/zinc/69/56/65/347695665.db2.gz MNRMXLOHULOTQK-CQSZACIVSA-N 0 3 290.363 2.056 20 30 CEEDHN CC(C)C(=O)NCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611390144 347772622 /nfs/dbraw/zinc/77/26/22/347772622.db2.gz FPMCRAJSDCJQPA-INIZCTEOSA-N 0 3 285.391 2.297 20 30 CEEDHN CCCNC(=O)CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390108 347772858 /nfs/dbraw/zinc/77/28/58/347772858.db2.gz CLFPHAHNCXJFRL-OAHLLOKOSA-N 0 3 271.364 2.051 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC2(C1)CCCCC2 ZINC000129997851 365915126 /nfs/dbraw/zinc/91/51/26/365915126.db2.gz AQTOFUVPQVXQFV-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccccc1C#N ZINC000611120976 347741605 /nfs/dbraw/zinc/74/16/05/347741605.db2.gz SAZDPRKEBASYAE-DYVFJYSZSA-N 0 3 297.402 2.295 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](CCO)C1 ZINC000611235396 347754939 /nfs/dbraw/zinc/75/49/39/347754939.db2.gz KHLMORGQBNWWTO-ZDUSSCGKSA-N 0 3 274.364 2.161 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612376094 347876473 /nfs/dbraw/zinc/87/64/73/347876473.db2.gz SGHZJRKMWVPCAW-GDBMZVCRSA-N 0 3 292.427 2.196 20 30 CEEDHN Cc1nc(CCN(C)Cc2ccc(C#N)cc2C)no1 ZINC000614401964 348194048 /nfs/dbraw/zinc/19/40/48/348194048.db2.gz SGLMKBKAEZVZMJ-UHFFFAOYSA-N 0 3 270.336 2.233 20 30 CEEDHN C[C@H]1CN(Cc2cn3ccccc3c2C#N)[C@@H](C)CN1C ZINC000351952770 219262522 /nfs/dbraw/zinc/26/25/22/219262522.db2.gz XOHFJSJEZFXDER-KBPBESRZSA-N 0 3 282.391 2.335 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)[C@H]2CCCN2C2CC2)C1 ZINC000617779846 348790107 /nfs/dbraw/zinc/79/01/07/348790107.db2.gz JNVYMGHOSRPPGC-DZGCQCFKSA-N 0 3 262.397 2.428 20 30 CEEDHN C=CCC1(NC(=O)[C@@H](C)N2CCCCCC2)CCOCC1 ZINC000618248193 348906150 /nfs/dbraw/zinc/90/61/50/348906150.db2.gz YJHIJEOULOVXPV-OAHLLOKOSA-N 0 3 294.439 2.492 20 30 CEEDHN COC(=O)c1cc(CN[C@H]2CCc3cc(C#N)ccc32)c[nH]1 ZINC000618741002 349034486 /nfs/dbraw/zinc/03/44/86/349034486.db2.gz BLPITDORJWZUHA-HNNXBMFYSA-N 0 3 295.342 2.450 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000618985384 349086040 /nfs/dbraw/zinc/08/60/40/349086040.db2.gz IMIQHMBGJDLLFW-WBVHZDCISA-N 0 3 296.455 2.452 20 30 CEEDHN C[C@H](CCC#N)CN1CCN(Cc2ccncc2)CC1 ZINC000618888038 349060217 /nfs/dbraw/zinc/06/02/17/349060217.db2.gz QBTJVKFEYXDSTC-OAHLLOKOSA-N 0 3 272.396 2.139 20 30 CEEDHN N#Cc1ccc(CNCCOCC(F)F)cc1F ZINC000404131297 233193522 /nfs/dbraw/zinc/19/35/22/233193522.db2.gz UDYYMIIPPJYJNT-UHFFFAOYSA-N 0 3 258.243 2.069 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC3(CC(F)C3)C2)cc1 ZINC000619385367 349167312 /nfs/dbraw/zinc/16/73/12/349167312.db2.gz IYXVBPSYTJARHL-CQSZACIVSA-N 0 3 297.333 2.201 20 30 CEEDHN Cc1cccc(C)c1OC[C@H](O)CN[C@H]1CC[C@@H](C#N)C1 ZINC000619672290 349214360 /nfs/dbraw/zinc/21/43/60/349214360.db2.gz GPEFWOUTFLFTNN-OWCLPIDISA-N 0 3 288.391 2.325 20 30 CEEDHN CC(C)N(C)CC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619780367 349235164 /nfs/dbraw/zinc/23/51/64/349235164.db2.gz MRTRMDGDYBZOEM-UHFFFAOYSA-N 0 3 279.771 2.168 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000619544290 349196292 /nfs/dbraw/zinc/19/62/92/349196292.db2.gz DKMCVKARBKFMFH-KGLIPLIRSA-N 0 3 296.374 2.435 20 30 CEEDHN CC(C)(C#N)c1ccc(CN2CCC[C@H]3C(=O)NC[C@H]32)cc1 ZINC000619622643 349206605 /nfs/dbraw/zinc/20/66/05/349206605.db2.gz PKOTVGLQDAVTPC-HZPDHXFCSA-N 0 3 297.402 2.198 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc(C)c(Br)cn1 ZINC000623491215 350033200 /nfs/dbraw/zinc/03/32/00/350033200.db2.gz JMAZLBQMENDEOK-JTQLQIEISA-N 0 3 285.185 2.179 20 30 CEEDHN C=CCOc1ccc(CN[C@@H]2CCOC[C@H]2O)cc1Cl ZINC000623765224 350106437 /nfs/dbraw/zinc/10/64/37/350106437.db2.gz PHTQUBNHTROJBO-ZIAGYGMSSA-N 0 3 297.782 2.144 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CO)[C@@H]2CCCOC2)c(Cl)c1 ZINC000411991025 233312010 /nfs/dbraw/zinc/31/20/10/233312010.db2.gz SGQNAZYKEDILGB-HIFRSBDPSA-N 0 3 294.782 2.089 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@H](OC)C2)cc1 ZINC000091772626 180248942 /nfs/dbraw/zinc/24/89/42/180248942.db2.gz FRYQUBXPKIPEFT-INIZCTEOSA-N 0 3 259.349 2.309 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC#CCN1C(=O)c2ccccc2C1=O ZINC000625224682 350435099 /nfs/dbraw/zinc/43/50/99/350435099.db2.gz QBEDEMDFJBXOIG-OKILXGFUSA-N 0 3 296.370 2.159 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2c(C)noc2C)CC1 ZINC000106038861 186099151 /nfs/dbraw/zinc/09/91/51/186099151.db2.gz KRSHGMGNJMDINI-UHFFFAOYSA-N 0 3 277.368 2.062 20 30 CEEDHN C=CC(C)(C)CCNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000625895760 350594629 /nfs/dbraw/zinc/59/46/29/350594629.db2.gz CJMYVJSLEIKQBC-UHFFFAOYSA-N 0 3 288.395 2.451 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@H]2CCc3ccccc32)CC1 ZINC000110370231 186294875 /nfs/dbraw/zinc/29/48/75/186294875.db2.gz UTLGKZSUIOVKDQ-QGZVFWFLSA-N 0 3 296.414 2.178 20 30 CEEDHN C=CCc1cc(CN2C[C@@H](CC)[C@H](O)C2)cc(OC)c1O ZINC000271400294 191117221 /nfs/dbraw/zinc/11/72/21/191117221.db2.gz VNIDQQAJKGOFFR-UKRRQHHQSA-N 0 3 291.391 2.332 20 30 CEEDHN C=CC1CCN(CC(=O)N(CC)CC(=C)C)CC1 ZINC000111260255 186380238 /nfs/dbraw/zinc/38/02/38/186380238.db2.gz QEVUHEZTGSLQQD-UHFFFAOYSA-N 0 3 250.386 2.309 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1oc(C)nc1C ZINC000628258437 351031082 /nfs/dbraw/zinc/03/10/82/351031082.db2.gz FDGFCOJLOJWUAB-GXTWGEPZSA-N 0 3 250.342 2.362 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000628965144 351227674 /nfs/dbraw/zinc/22/76/74/351227674.db2.gz ZNRKXDWKLDOXGE-WBVHZDCISA-N 0 3 294.439 2.348 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000628965140 351227699 /nfs/dbraw/zinc/22/76/99/351227699.db2.gz ZNRKXDWKLDOXGE-NVXWUHKLSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@H](C)Cc2ccc(O)cc2)C1=O ZINC000337164033 366046546 /nfs/dbraw/zinc/04/65/46/366046546.db2.gz XHCWNWWSUMJGMC-CJNGLKHVSA-N 0 3 288.391 2.042 20 30 CEEDHN C=CCCOCCNCc1ccnn1CC1CCC1 ZINC000631102309 351964904 /nfs/dbraw/zinc/96/49/04/351964904.db2.gz VIFOEZUEDKACPV-UHFFFAOYSA-N 0 3 263.385 2.366 20 30 CEEDHN C=CCCC(C)(C)NCc1cn(C[C@H]2CCOC2)nn1 ZINC000631179203 352003147 /nfs/dbraw/zinc/00/31/47/352003147.db2.gz RFPUIXWSEWOVFF-CYBMUJFWSA-N 0 3 278.400 2.149 20 30 CEEDHN COCC(C)(C)N(C)CCOc1ccc(C#N)cc1OC ZINC000292048796 198145229 /nfs/dbraw/zinc/14/52/29/198145229.db2.gz BGWLXWYXYQSBOX-UHFFFAOYSA-N 0 3 292.379 2.302 20 30 CEEDHN C#CC[C@H](N[C@H](C)CC(=O)N(C)C)c1ccccc1 ZINC000271534367 191198228 /nfs/dbraw/zinc/19/82/28/191198228.db2.gz QCQSDWYPMWWNCR-HIFRSBDPSA-N 0 3 258.365 2.207 20 30 CEEDHN C[C@@H](NCC[C@@H]1CCOC1=O)c1ccc(C#N)cc1 ZINC000271649477 191258317 /nfs/dbraw/zinc/25/83/17/191258317.db2.gz ISUADNGJVZXTDZ-BXUZGUMPSA-N 0 3 258.321 2.162 20 30 CEEDHN COc1ccc(CN2CCC[C@H]2C[C@@H](C)O)cc1C#N ZINC000152906098 188052486 /nfs/dbraw/zinc/05/24/86/188052486.db2.gz CMGLANKWYWVGFP-DOMZBBRYSA-N 0 3 274.364 2.302 20 30 CEEDHN CC(=O)N1CCC(N[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000336444755 213308616 /nfs/dbraw/zinc/30/86/16/213308616.db2.gz YEDWDBIDGUKBAF-LLVKDONJSA-N 0 3 289.354 2.359 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)[C@H](N)CCC ZINC000155690089 188221179 /nfs/dbraw/zinc/22/11/79/188221179.db2.gz FWHKZIAWJHEMHB-OAHLLOKOSA-N 0 3 260.381 2.371 20 30 CEEDHN C=CCN(C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000155728590 188223678 /nfs/dbraw/zinc/22/36/78/188223678.db2.gz HDIKLMOORBFMEI-CQSZACIVSA-N 0 3 275.396 2.334 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H]([C@H]3CCOC3)C2)s1 ZINC000336440884 213304913 /nfs/dbraw/zinc/30/49/13/213304913.db2.gz UVWQAPZTJADBPG-RYUDHWBXSA-N 0 3 262.378 2.478 20 30 CEEDHN CCN(CC1CC1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000157826659 188341552 /nfs/dbraw/zinc/34/15/52/188341552.db2.gz IHXSHURCSMAWGY-ZDUSSCGKSA-N 0 3 289.404 2.457 20 30 CEEDHN CCN(CCO)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000158676482 188388887 /nfs/dbraw/zinc/38/88/87/188388887.db2.gz FBTXHXSBMYSSAA-UHFFFAOYSA-N 0 3 292.379 2.192 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC1(C)C ZINC000158846404 188397345 /nfs/dbraw/zinc/39/73/45/188397345.db2.gz XAIICPKCYRUURL-INIZCTEOSA-N 0 3 299.418 2.495 20 30 CEEDHN CN(CCC#N)c1ccc(CN(C)[C@@H]2CCOC2)cc1 ZINC000132141166 366120561 /nfs/dbraw/zinc/12/05/61/366120561.db2.gz POUCOOPJAKNMEL-MRXNPFEDSA-N 0 3 273.380 2.257 20 30 CEEDHN Cc1cc(CN2CCC(N3CCCC3=O)CC2)ccc1C#N ZINC000336420139 213278922 /nfs/dbraw/zinc/27/89/22/213278922.db2.gz YDNQZXYLKHFYPG-UHFFFAOYSA-N 0 3 297.402 2.454 20 30 CEEDHN Cn1cc(CN[C@H]2CCC[C@@H]2OC(F)F)cc1C#N ZINC000337282234 366123738 /nfs/dbraw/zinc/12/37/38/366123738.db2.gz IEDJEXDTKJPMSO-RYUDHWBXSA-N 0 3 269.295 2.147 20 30 CEEDHN CCN(C)C(=O)CCN[C@H](C)c1ccc(C#N)cc1 ZINC000271720732 191290788 /nfs/dbraw/zinc/29/07/88/191290788.db2.gz XPOYJNBIRWFCTH-GFCCVEGCSA-N 0 3 259.353 2.077 20 30 CEEDHN C=CCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000074166208 363302996 /nfs/dbraw/zinc/30/29/96/363302996.db2.gz ACUWDINPYQRLAQ-UHFFFAOYSA-N 0 3 258.321 2.410 20 30 CEEDHN N#Cc1ccc(CNC2(CO)Cc3ccccc3C2)cc1 ZINC000074326409 363325988 /nfs/dbraw/zinc/32/59/88/363325988.db2.gz NZJUIACRPAWADP-UHFFFAOYSA-N 0 3 278.355 2.178 20 30 CEEDHN FC(F)[C@@H]1CCN(CC#CCN2CC[C@@H](C(F)F)C2)C1 ZINC000671242498 540025172 /nfs/dbraw/zinc/02/51/72/540025172.db2.gz DLFITQXATVUPRG-VXGBXAGGSA-N 0 3 292.320 2.164 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)c1cccc(C#N)c1C ZINC000338109820 366195497 /nfs/dbraw/zinc/19/54/97/366195497.db2.gz REGGAGDUJOTLOR-AWEZNQCLSA-N 0 3 271.364 2.081 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000338136066 366208116 /nfs/dbraw/zinc/20/81/16/366208116.db2.gz ZIZGBEGOOZRUJZ-BXUZGUMPSA-N 0 3 283.375 2.222 20 30 CEEDHN N#CC1(C(=O)N[C@H]2CCN(C3CCCC3)C2)CCCC1 ZINC000336505887 283042901 /nfs/dbraw/zinc/04/29/01/283042901.db2.gz XDWRVWRYVGWGMR-ZDUSSCGKSA-N 0 3 275.396 2.203 20 30 CEEDHN C=CCN1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074748607 363381599 /nfs/dbraw/zinc/38/15/99/363381599.db2.gz BPZJPRAGEBFCCX-UHFFFAOYSA-N 0 3 276.340 2.361 20 30 CEEDHN CCOC(=O)N(C)C1CCN(CCCSCC#N)CC1 ZINC000074990056 363430630 /nfs/dbraw/zinc/43/06/30/363430630.db2.gz ZWFDJZGLDXZBFU-UHFFFAOYSA-N 0 3 299.440 2.186 20 30 CEEDHN Cc1noc([C@H]2CCCN(CCCSCC#N)C2)n1 ZINC000074982142 363431377 /nfs/dbraw/zinc/43/13/77/363431377.db2.gz IJTSAJCUCYQPMX-LBPRGKRZSA-N 0 3 280.397 2.204 20 30 CEEDHN C=C1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000382552804 540148898 /nfs/dbraw/zinc/14/88/98/540148898.db2.gz YDUWQJPISXWVID-HNNXBMFYSA-N 0 3 256.349 2.052 20 30 CEEDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1cc(C#N)ccc1OC ZINC000338296311 366279408 /nfs/dbraw/zinc/27/94/08/366279408.db2.gz NESBYICDMKGVPT-VXGBXAGGSA-N 0 3 290.363 2.244 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000075769154 363488348 /nfs/dbraw/zinc/48/83/48/363488348.db2.gz AIWGCWQESVGHNE-KBPBESRZSA-N 0 3 263.385 2.013 20 30 CEEDHN C=C(Cl)CN[C@@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000274352614 192549141 /nfs/dbraw/zinc/54/91/41/192549141.db2.gz IHJLTKUDLRLBCN-NSHDSACASA-N 0 3 292.766 2.403 20 30 CEEDHN CN(CCNc1c(C#N)nnc2ccccc21)C1CC1 ZINC000076324494 363536507 /nfs/dbraw/zinc/53/65/07/363536507.db2.gz XUINUMVXHKACQM-UHFFFAOYSA-N 0 3 267.336 2.008 20 30 CEEDHN N#Cc1cc(N[C@@H]2CCN(Cc3ccccc3)C2)ncn1 ZINC000306500688 540333537 /nfs/dbraw/zinc/33/35/37/540333537.db2.gz YVLZFBLCAAVSPV-CQSZACIVSA-N 0 3 279.347 2.035 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H](O)C(F)(F)F ZINC000577900386 366414907 /nfs/dbraw/zinc/41/49/07/366414907.db2.gz RLAQBASVTLZLGT-QWHCGFSZSA-N 0 3 284.281 2.448 20 30 CEEDHN CC[C@@H](NCc1ccc(C#N)s1)[C@H](O)C(F)F ZINC000294920748 199250000 /nfs/dbraw/zinc/25/00/00/199250000.db2.gz AUVKUKLMNPMORR-ZJUUUORDSA-N 0 3 260.309 2.114 20 30 CEEDHN C=CCCCCN1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000578429194 366491606 /nfs/dbraw/zinc/49/16/06/366491606.db2.gz JNRAOEMPUCVJHQ-AWEZNQCLSA-N 0 3 262.401 2.445 20 30 CEEDHN Cc1cccc([C@H]2CCCN2CCOCCC#N)n1 ZINC000578486781 366500500 /nfs/dbraw/zinc/50/05/00/366500500.db2.gz GMTCRGDDZUDCAF-OAHLLOKOSA-N 0 3 259.353 2.457 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671760624 540504501 /nfs/dbraw/zinc/50/45/01/540504501.db2.gz VRLCHHASOFLXTJ-MWLCHTKSSA-N 0 3 262.309 2.121 20 30 CEEDHN COCC#CCN(C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000672573922 540627936 /nfs/dbraw/zinc/62/79/36/540627936.db2.gz LXCDTLGIPXJBKE-CVEARBPZSA-N 0 3 275.392 2.123 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000579436805 366644035 /nfs/dbraw/zinc/64/40/35/366644035.db2.gz VYILTLLPPUTRMV-SVZOTFJBSA-N 0 3 299.418 2.081 20 30 CEEDHN C=CCn1nnnc1SC[C@H]1CCCCN1C(C)C ZINC000339116103 366659219 /nfs/dbraw/zinc/65/92/19/366659219.db2.gz MANLGEYBEVOCEQ-GFCCVEGCSA-N 0 3 281.429 2.214 20 30 CEEDHN C=CCOCCN1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC000339153900 366679093 /nfs/dbraw/zinc/67/90/93/366679093.db2.gz IDJNUYDGJZIIHE-JKSUJKDBSA-N 0 3 289.375 2.078 20 30 CEEDHN C=CCOCCN1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000339153895 366679340 /nfs/dbraw/zinc/67/93/40/366679340.db2.gz IDJNUYDGJZIIHE-CVEARBPZSA-N 0 3 289.375 2.078 20 30 CEEDHN CC(C)COC[C@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000298329055 200397162 /nfs/dbraw/zinc/39/71/62/200397162.db2.gz OPXBZGZDUOBTAU-MRXNPFEDSA-N 0 3 276.380 2.024 20 30 CEEDHN C#CCOc1ccc(F)cc1NC(=O)C1CCN(C)CC1 ZINC000081454645 363719872 /nfs/dbraw/zinc/71/98/72/363719872.db2.gz GXHWCJKCZJAQNR-UHFFFAOYSA-N 0 3 290.338 2.118 20 30 CEEDHN CC(C)(C)N1C[C@H](NCc2cccc(C#N)c2)CC1=O ZINC000177564643 189057701 /nfs/dbraw/zinc/05/77/01/189057701.db2.gz ZUHVWPDUQSDFQT-CQSZACIVSA-N 0 3 271.364 2.047 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccn2C(C)C)CC1 ZINC000179668451 189211417 /nfs/dbraw/zinc/21/14/17/189211417.db2.gz HYYKENBDBJCJAK-UHFFFAOYSA-N 0 3 275.396 2.449 20 30 CEEDHN C#CCN[C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000180026028 189233492 /nfs/dbraw/zinc/23/34/92/189233492.db2.gz AZAWJDLBVZVEFV-GXFFZTMASA-N 0 3 258.321 2.080 20 30 CEEDHN C#CCNC(C)(C)COc1ncccc1Br ZINC000180394525 189253192 /nfs/dbraw/zinc/25/31/92/189253192.db2.gz WUEXZBULQLELDQ-UHFFFAOYSA-N 0 3 283.169 2.224 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cnco1)C(C)C ZINC000677549640 541024426 /nfs/dbraw/zinc/02/44/26/541024426.db2.gz VJFICNSCRSPNEV-CYBMUJFWSA-N 0 3 277.368 2.103 20 30 CEEDHN C=CCCOCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000677620073 541029053 /nfs/dbraw/zinc/02/90/53/541029053.db2.gz QEBSQYIGCZVYAZ-WBVHZDCISA-N 0 3 288.391 2.141 20 30 CEEDHN C=C(C)[C@@H](CO)N(CC)C[C@H]1COc2ccccc2O1 ZINC000677950890 541061225 /nfs/dbraw/zinc/06/12/25/541061225.db2.gz CORCZFRHRHICBL-UONOGXRCSA-N 0 3 277.364 2.085 20 30 CEEDHN C=CCOc1ccc(CNC[C@@H](O)CSC)cc1 ZINC000580888743 366780495 /nfs/dbraw/zinc/78/04/95/366780495.db2.gz QDKSVYNIOHNSAQ-CYBMUJFWSA-N 0 3 267.394 2.065 20 30 CEEDHN C=CCNC(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000155707071 366820741 /nfs/dbraw/zinc/82/07/41/366820741.db2.gz OLXXLVSMHBDLAX-VIFPVBQESA-N 0 3 269.226 2.010 20 30 CEEDHN Cc1cc(C#N)cc(N(C)C[C@H]2CCCN(C)C2)n1 ZINC000342412542 216343316 /nfs/dbraw/zinc/34/33/16/216343316.db2.gz KALXJMYLDOCTMX-ZDUSSCGKSA-N 0 3 258.369 2.040 20 30 CEEDHN CCN1CCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC000020054309 361576337 /nfs/dbraw/zinc/57/63/37/361576337.db2.gz FGGUMDFVKGNKJG-CQSZACIVSA-N 0 3 261.344 2.271 20 30 CEEDHN N#Cc1ccc(NCCCN2CCc3ccccc3C2)nn1 ZINC000301918797 201262756 /nfs/dbraw/zinc/26/27/56/201262756.db2.gz JXDNCJJHTSRXIY-UHFFFAOYSA-N 0 3 293.374 2.209 20 30 CEEDHN CN(C)CCN(CC1CCCCC1)c1ccc(C#N)nn1 ZINC000301975066 201283218 /nfs/dbraw/zinc/28/32/18/201283218.db2.gz VPXMFLKWFZIUHG-UHFFFAOYSA-N 0 3 287.411 2.297 20 30 CEEDHN C=CCN[C@@H](CC)c1ccccc1OCC(=O)NC ZINC000678747646 541169152 /nfs/dbraw/zinc/16/91/52/541169152.db2.gz RFMBRWHNUPBKAL-ZDUSSCGKSA-N 0 3 262.353 2.038 20 30 CEEDHN CC1=CCN(CCNc2nc3ccccn3c2C#N)CC1 ZINC000302153358 201368700 /nfs/dbraw/zinc/36/87/00/201368700.db2.gz MLOJRWZHOAQUBR-UHFFFAOYSA-N 0 3 281.363 2.270 20 30 CEEDHN C=CCOCCNCc1c(C)nn(CCC)c1C ZINC000679485542 541279352 /nfs/dbraw/zinc/27/93/52/541279352.db2.gz IHLGXWXCYDGZHL-UHFFFAOYSA-N 0 3 251.374 2.202 20 30 CEEDHN COc1ccccc1C[C@H](C)N(C)C(=O)C(C)C#N ZINC000088202910 363881402 /nfs/dbraw/zinc/88/14/02/363881402.db2.gz AGGPXEROANCIKP-RYUDHWBXSA-N 0 3 260.337 2.244 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@H](COc2ccccc2)C1 ZINC000679541976 541286926 /nfs/dbraw/zinc/28/69/26/541286926.db2.gz SUUFVWGCVLZLAY-HOCLYGCPSA-N 0 3 261.365 2.324 20 30 CEEDHN CCC(=O)N[C@@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000092705910 364099096 /nfs/dbraw/zinc/09/90/96/364099096.db2.gz GKDXBYSMKFJRSS-CYBMUJFWSA-N 0 3 265.401 2.307 20 30 CEEDHN N#Cc1csc(CN2CC[C@@H](N3CCCC3)C2)c1 ZINC000092757305 364104548 /nfs/dbraw/zinc/10/45/48/364104548.db2.gz WOXSIPXRYYAIPB-CYBMUJFWSA-N 0 3 261.394 2.290 20 30 CEEDHN C=CCOc1ccccc1CN1CCC[C@@H](C(=O)NC)C1 ZINC000093360820 364172127 /nfs/dbraw/zinc/17/21/27/364172127.db2.gz SLKIVRJPJZZQJD-OAHLLOKOSA-N 0 3 288.391 2.209 20 30 CEEDHN C=CCCOCCNCc1cn(C)nc1C(C)(C)C ZINC000093969052 364245071 /nfs/dbraw/zinc/24/50/71/364245071.db2.gz PKXPOHJIEOMJNJ-UHFFFAOYSA-N 0 3 265.401 2.400 20 30 CEEDHN CC(C)C(=O)NC[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000157904733 366850062 /nfs/dbraw/zinc/85/00/62/366850062.db2.gz ZXTHRMKXIYHXCL-AWEZNQCLSA-N 0 3 279.428 2.410 20 30 CEEDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc(C#N)o1 ZINC000340327825 366850657 /nfs/dbraw/zinc/85/06/57/366850657.db2.gz MWMOFPUSJGZNII-LBPRGKRZSA-N 0 3 275.352 2.146 20 30 CEEDHN C=CCN(CC=C)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000098030133 364524877 /nfs/dbraw/zinc/52/48/77/364524877.db2.gz JISAJWGPJGEFPZ-HUUCEWRRSA-N 0 3 279.428 2.490 20 30 CEEDHN C=C(C)CN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000104087631 364676167 /nfs/dbraw/zinc/67/61/67/364676167.db2.gz WNDVBUKHRIJXCH-UHFFFAOYSA-N 0 3 287.451 2.312 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000335292086 364680013 /nfs/dbraw/zinc/68/00/13/364680013.db2.gz KRFMXRLLOZGYLC-TZMCWYRMSA-N 0 3 257.337 2.249 20 30 CEEDHN C=CC1CCN(C(=O)NC[C@H]2CCCCN2CC)CC1 ZINC000111510906 364742691 /nfs/dbraw/zinc/74/26/91/364742691.db2.gz UVVYCLGKYYCWLL-OAHLLOKOSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CC1CCN([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000111693264 364753078 /nfs/dbraw/zinc/75/30/78/364753078.db2.gz JNGUHXRIWZTRIN-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN C[C@@H]1CCN(C)CCN1Cc1ccc(C#N)c(F)c1 ZINC000335693880 364843626 /nfs/dbraw/zinc/84/36/26/364843626.db2.gz BTMFSPHBKPAYHP-GFCCVEGCSA-N 0 3 261.344 2.223 20 30 CEEDHN N#Cc1csc(C(=O)NC2CC(N3CCCCC3)C2)c1 ZINC000335712935 364871041 /nfs/dbraw/zinc/87/10/41/364871041.db2.gz IDBSJGQPXUIUAL-UHFFFAOYSA-N 0 3 289.404 2.366 20 30 CEEDHN C#CCOc1ccc(CNC[C@@H](O)Cc2ccccc2)cc1 ZINC000113337557 364888854 /nfs/dbraw/zinc/88/88/54/364888854.db2.gz DLRPBFQGCSHUPI-SFHVURJKSA-N 0 3 295.382 2.392 20 30 CEEDHN C[C@@H]1CCN(C)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000335728459 364894892 /nfs/dbraw/zinc/89/48/92/364894892.db2.gz KKAVTODDRYJNTP-WLYUNCDWSA-N 0 3 292.427 2.052 20 30 CEEDHN CC(C)(C#N)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114643615 364955305 /nfs/dbraw/zinc/95/53/05/364955305.db2.gz AAKZALJUTNTYGE-HNNXBMFYSA-N 0 3 285.391 2.317 20 30 CEEDHN Cc1cnn(CCN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000118398420 365154035 /nfs/dbraw/zinc/15/40/35/365154035.db2.gz RUVBXWTXMVCHBO-CYBMUJFWSA-N 0 3 254.337 2.414 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](CC)C2)CC1 ZINC000119126222 365222226 /nfs/dbraw/zinc/22/22/26/365222226.db2.gz GJXQWWBBWCAEFY-CQSZACIVSA-N 0 3 279.428 2.468 20 30 CEEDHN C=C(C)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866435 365186680 /nfs/dbraw/zinc/18/66/80/365186680.db2.gz GCTUQCPTSUATMH-LLVKDONJSA-N 0 3 262.313 2.052 20 30 CEEDHN Fc1ccc(C#CCN2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000119019444 365201017 /nfs/dbraw/zinc/20/10/17/365201017.db2.gz BYKIEOKZRGIDCK-MRXNPFEDSA-N 0 3 298.365 2.181 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](CC(C)C)C1 ZINC000119356670 365260824 /nfs/dbraw/zinc/26/08/24/365260824.db2.gz NAFASFYKEPEICR-KBPBESRZSA-N 0 3 295.427 2.145 20 30 CEEDHN CC1(C)CN(CCCOc2cccc(C#N)c2)CC[C@H]1O ZINC000275466938 193049775 /nfs/dbraw/zinc/04/97/75/193049775.db2.gz NZIRQQQVMFRDIG-MRXNPFEDSA-N 0 3 288.391 2.420 20 30 CEEDHN CO[C@@]1(C)CCCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000336074799 365372684 /nfs/dbraw/zinc/37/26/84/365372684.db2.gz YPFQAVVLOXJHQD-HNNXBMFYSA-N 0 3 261.369 2.288 20 30 CEEDHN CN(C)CCc1ccccc1NC(=O)c1ccc(C#N)[nH]1 ZINC000275862857 193149241 /nfs/dbraw/zinc/14/92/41/193149241.db2.gz MKHGLRHYKSDQFE-UHFFFAOYSA-N 0 3 282.347 2.243 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)CCN1C ZINC000336164314 365499629 /nfs/dbraw/zinc/49/96/29/365499629.db2.gz ZPAZZEKBUJAMOF-GXFFZTMASA-N 0 3 290.342 2.302 20 30 CEEDHN CC#CCN1CCC(C(=O)NCCc2cccs2)CC1 ZINC000159753471 366946110 /nfs/dbraw/zinc/94/61/10/366946110.db2.gz WYNLYPNXMMSBNE-UHFFFAOYSA-N 0 3 290.432 2.142 20 30 CEEDHN COCc1cncc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000680934726 541476232 /nfs/dbraw/zinc/47/62/32/541476232.db2.gz SIWZXJVXKGUMFE-CQSZACIVSA-N 0 3 296.330 2.125 20 30 CEEDHN C[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)[C@H]2CCCC[C@H]12 ZINC000584107579 367142068 /nfs/dbraw/zinc/14/20/68/367142068.db2.gz VHYKQIKFBJYSRK-TUVASFSCSA-N 0 3 277.412 2.435 20 30 CEEDHN CC(C)CN(CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000340919395 367088742 /nfs/dbraw/zinc/08/87/42/367088742.db2.gz QWQYOHXAQKPBIG-UHFFFAOYSA-N 0 3 285.391 2.295 20 30 CEEDHN Cc1ccc(OCCCCNC(=O)C(C)C#N)cc1 ZINC000357840094 370830638 /nfs/dbraw/zinc/83/06/38/370830638.db2.gz XDXVCKKGEMSLRC-ZDUSSCGKSA-N 0 3 260.337 2.430 20 30 CEEDHN N#CC[C@@]1(O)CCN(c2ccnc3ccccc32)C1 ZINC000591976379 367200814 /nfs/dbraw/zinc/20/08/14/367200814.db2.gz NIWZAAUMTBLNIV-OAHLLOKOSA-N 0 3 253.305 2.090 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000596673369 367208557 /nfs/dbraw/zinc/20/85/57/367208557.db2.gz IBFNBAHMMWCMKZ-LLVKDONJSA-N 0 3 293.317 2.051 20 30 CEEDHN N#Cc1cc(NC[C@H]2CCCCN2C2CC2)nc(C2CC2)n1 ZINC000601154498 367215426 /nfs/dbraw/zinc/21/54/26/367215426.db2.gz MIFVMKORUYDCQG-OAHLLOKOSA-N 0 3 297.406 2.076 20 30 CEEDHN C[C@H]1CN(CCCC(C)(C)C#N)C[C@H](C)N1CC#N ZINC000602864970 367217687 /nfs/dbraw/zinc/21/76/87/367217687.db2.gz RIFWPIYVRCQLBH-KBPBESRZSA-N 0 3 262.401 2.235 20 30 CEEDHN CN(Cc1ccccc1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 ZINC000611241082 367224380 /nfs/dbraw/zinc/22/43/80/367224380.db2.gz BLJJSQKHIGWALR-MRXNPFEDSA-N 0 3 293.374 2.059 20 30 CEEDHN C[C@H]1CCC[C@@H]1NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000163088870 367217782 /nfs/dbraw/zinc/21/77/82/367217782.db2.gz XKKKLSGGJKWZGH-WFASDCNBSA-N 0 3 292.404 2.110 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H](C)[C@@H]1CCOC1 ZINC000163106407 367218126 /nfs/dbraw/zinc/21/81/26/367218126.db2.gz KHMYJWMDJHUCRC-SMDDNHRTSA-N 0 3 260.337 2.081 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H](C)C[S@@](C)=O ZINC000168151031 367348827 /nfs/dbraw/zinc/34/88/27/367348827.db2.gz UNBIRPWXZZHELM-SGTLLEGYSA-N 0 3 267.394 2.108 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000341364910 367306002 /nfs/dbraw/zinc/30/60/02/367306002.db2.gz DFEOUUPZKXICFG-MELADBBJSA-N 0 3 250.386 2.141 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)C1(C#N)CCC1 ZINC000342782607 367533908 /nfs/dbraw/zinc/53/39/08/367533908.db2.gz OCRMLEBBYZJTRW-UHFFFAOYSA-N 0 3 277.412 2.405 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccccc2OCC)CC1 ZINC000171720798 367603053 /nfs/dbraw/zinc/60/30/53/367603053.db2.gz IYERWGNNRDSRKN-UHFFFAOYSA-N 0 3 288.391 2.466 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)/C=C/c1ccccc1C#N ZINC000172235867 367701474 /nfs/dbraw/zinc/70/14/74/367701474.db2.gz NQLUANUMPADLCU-BOLDSZDNSA-N 0 3 297.402 2.372 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)/C=C/c1ccccc1C#N ZINC000172602526 367786984 /nfs/dbraw/zinc/78/69/84/367786984.db2.gz WDNNQVLNZJJIAR-OMAIJTBJSA-N 0 3 297.402 2.370 20 30 CEEDHN C[C@H](NCCc1cccc(C#N)c1)c1nccn1C ZINC000343515305 367857566 /nfs/dbraw/zinc/85/75/66/367857566.db2.gz QHNXXYXZCRNBNB-LBPRGKRZSA-N 0 3 254.337 2.185 20 30 CEEDHN C=CCOc1ccccc1C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343447945 367821005 /nfs/dbraw/zinc/82/10/05/367821005.db2.gz PLWNATRWAOVYNV-ZFWWWQNUSA-N 0 3 288.391 2.464 20 30 CEEDHN C=CCN1CCC(NC(=O)c2c(F)cc(F)cc2F)CC1 ZINC000172908380 367840541 /nfs/dbraw/zinc/84/05/41/367840541.db2.gz OXXAYOBKKXRADB-UHFFFAOYSA-N 0 3 298.308 2.484 20 30 CEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)cc1 ZINC000343498944 367847052 /nfs/dbraw/zinc/84/70/52/367847052.db2.gz HNVDLQWZBOMTHD-XJKSGUPXSA-N 0 3 288.391 2.464 20 30 CEEDHN C[C@@H]1[C@H](Nc2c(C#N)cnc3ccccc32)CCCN1C ZINC000343601066 367910075 /nfs/dbraw/zinc/91/00/75/367910075.db2.gz PQUHXKUUSHNDAM-IUODEOHRSA-N 0 3 280.375 2.423 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000245974652 370896523 /nfs/dbraw/zinc/89/65/23/370896523.db2.gz WSXSCEYWPVPLPH-HIFRSBDPSA-N 0 3 283.375 2.175 20 30 CEEDHN C=CCn1cccc1C(=O)NC[C@@H]1CCCN1CCC ZINC000343627846 367926063 /nfs/dbraw/zinc/92/60/63/367926063.db2.gz ZDYZMXICAISASZ-AWEZNQCLSA-N 0 3 275.396 2.278 20 30 CEEDHN N#Cc1ccccc1N1CCN(CC2CCC2)CC1 ZINC000173609715 367926618 /nfs/dbraw/zinc/92/66/18/367926618.db2.gz REKZXINXOABGPZ-UHFFFAOYSA-N 0 3 255.365 2.480 20 30 CEEDHN C=C[C@](C)(CC)C(=O)NCCCCN1CCN(CC)CC1 ZINC000343628825 367926925 /nfs/dbraw/zinc/92/69/25/367926925.db2.gz XKIRIRWWJYCURS-QGZVFWFLSA-N 0 3 295.471 2.123 20 30 CEEDHN C[C@@H]1CC[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000343953544 368089593 /nfs/dbraw/zinc/08/95/93/368089593.db2.gz KMEWTGGXDFUFOR-KCPJHIHWSA-N 0 3 267.332 2.155 20 30 CEEDHN C=C[C@@](C)(O)CC(=O)Nc1ccc(CN(C)C)cc1OC ZINC000633376736 368220360 /nfs/dbraw/zinc/22/03/60/368220360.db2.gz ZUQNOCJUQJUYAS-MRXNPFEDSA-N 0 3 292.379 2.022 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000633594871 368316429 /nfs/dbraw/zinc/31/64/29/368316429.db2.gz XHGRNNGQHFUIAC-KGLIPLIRSA-N 0 3 262.397 2.476 20 30 CEEDHN N#CCCCOc1cccc(CNC2(CO)CCC2)c1 ZINC000178638317 368307148 /nfs/dbraw/zinc/30/71/48/368307148.db2.gz WYFJKQURRZWKFU-UHFFFAOYSA-N 0 3 274.364 2.374 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000180897797 368400863 /nfs/dbraw/zinc/40/08/63/368400863.db2.gz QRAVKYLCCITPKX-QWHCGFSZSA-N 0 3 253.390 2.125 20 30 CEEDHN C[C@@H](CCS(C)(=O)=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000181908196 368504922 /nfs/dbraw/zinc/50/49/22/368504922.db2.gz PIKLLHCEYPQMJK-RYUDHWBXSA-N 0 3 280.393 2.032 20 30 CEEDHN CN(C)C(=O)CC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182198804 368533862 /nfs/dbraw/zinc/53/38/62/368533862.db2.gz IFLKRSNOXODWGA-UHFFFAOYSA-N 0 3 285.391 2.249 20 30 CEEDHN C=CCC[C@@H](O)CN(CCO)Cc1ccc(C)cc1 ZINC000181981981 368512615 /nfs/dbraw/zinc/51/26/15/368512615.db2.gz SONLSSCSBNKAGQ-MRXNPFEDSA-N 0 3 263.381 2.116 20 30 CEEDHN CC#CCCCC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000634094998 368539576 /nfs/dbraw/zinc/53/95/76/368539576.db2.gz HOKUISANAZDNLK-UHFFFAOYSA-N 0 3 288.395 2.282 20 30 CEEDHN CC[C@H](NCC(=O)NCC#N)c1cccc(Cl)c1 ZINC000182598387 368570643 /nfs/dbraw/zinc/57/06/43/368570643.db2.gz OLWJZSIIIWNYMV-LBPRGKRZSA-N 0 3 265.744 2.020 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2ccccc2C#N)C[C@@H]1C ZINC000346169508 368574313 /nfs/dbraw/zinc/57/43/13/368574313.db2.gz QRIQBPZSUODCJN-UONOGXRCSA-N 0 3 257.381 2.473 20 30 CEEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cccc(C#N)c2)C[C@@H](C)C1 ZINC000346255410 368608850 /nfs/dbraw/zinc/60/88/50/368608850.db2.gz CZZANCRBFZVKNB-VBQJREDUSA-N 0 3 297.402 2.361 20 30 CEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(C#N)cs1 ZINC000246141323 370914111 /nfs/dbraw/zinc/91/41/11/370914111.db2.gz NWAMEDABRUDFNB-CMPLNLGQSA-N 0 3 277.393 2.032 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1C[C@H]1C)C(C)C ZINC000246151218 370915629 /nfs/dbraw/zinc/91/56/29/370915629.db2.gz SYPHLZYVAJQXRV-RBSFLKMASA-N 0 3 279.428 2.393 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](COCC)C1 ZINC000246329821 370947934 /nfs/dbraw/zinc/94/79/34/370947934.db2.gz HSMCIRVCIDMARS-HZPDHXFCSA-N 0 3 294.439 2.324 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCN2CCCC[C@H]2C1 ZINC000246322402 370946237 /nfs/dbraw/zinc/94/62/37/370946237.db2.gz SNLUMYBVXFSCGF-INIZCTEOSA-N 0 3 285.391 2.237 20 30 CEEDHN C[C@@H]1OCC[C@]12CN(CCC(C)(C)C#N)C[C@@H](C)O2 ZINC000347218468 368802965 /nfs/dbraw/zinc/80/29/65/368802965.db2.gz USWPRCWIWBDVCO-IPYPFGDCSA-N 0 3 266.385 2.195 20 30 CEEDHN C=C(CNC[C@H](O)C[C@@](C)(O)C1CC1)c1ccccc1 ZINC000634713946 368835930 /nfs/dbraw/zinc/83/59/30/368835930.db2.gz DCPHTQZQBYZBTP-IAGOWNOFSA-N 0 3 275.392 2.201 20 30 CEEDHN C[C@@H]1C[C@@H](O)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000346734698 368787798 /nfs/dbraw/zinc/78/77/98/368787798.db2.gz RWMBCUDCXNUWMV-BMFZPTHFSA-N 0 3 286.375 2.131 20 30 CEEDHN CC(C)C[C@@H]1CCCN1CC(=O)NC1(C#N)CCC1 ZINC000346884841 368792042 /nfs/dbraw/zinc/79/20/42/368792042.db2.gz SHEBHDURFIQDIK-ZDUSSCGKSA-N 0 3 263.385 2.059 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NC[C@@H](O)c2ccsc2)C1 ZINC000185838138 368870446 /nfs/dbraw/zinc/87/04/46/368870446.db2.gz SANFFPFJMUPWIK-CYZMBNFOSA-N 0 3 250.367 2.453 20 30 CEEDHN C=CCOCCCN1CCc2ccccc2[C@@H]1CO ZINC000348045956 368873153 /nfs/dbraw/zinc/87/31/53/368873153.db2.gz CWSOQVBGWQHJKE-INIZCTEOSA-N 0 3 261.365 2.171 20 30 CEEDHN CCO[C@@H]1C[C@@](CO)(NCc2ccc(C#N)s2)C1(C)C ZINC000186577326 368998518 /nfs/dbraw/zinc/99/85/18/368998518.db2.gz HAOXWZLMVDAQPT-HIFRSBDPSA-N 0 3 294.420 2.275 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@](C)(O)CC1 ZINC000348359851 369016755 /nfs/dbraw/zinc/01/67/55/369016755.db2.gz CKFCDPXMSKDXMT-GDBMZVCRSA-N 0 3 282.428 2.036 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000186699738 369021897 /nfs/dbraw/zinc/02/18/97/369021897.db2.gz QCBNMCDZXAPHKC-WCQYABFASA-N 0 3 265.353 2.291 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187293557 369133442 /nfs/dbraw/zinc/13/34/42/369133442.db2.gz YPBXWZDGUZAWNU-MRXNPFEDSA-N 0 3 297.402 2.190 20 30 CEEDHN CCCN1CCC[C@@H]1CNC(=O)c1ccc(C#N)cc1 ZINC000343558918 216821190 /nfs/dbraw/zinc/82/11/90/216821190.db2.gz CXRYFMPQGSNQTA-OAHLLOKOSA-N 0 3 271.364 2.162 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)o1)Cc1ccccn1 ZINC000349296314 369290955 /nfs/dbraw/zinc/29/09/55/369290955.db2.gz LQYGHRABERDEJI-UHFFFAOYSA-N 0 3 284.363 2.110 20 30 CEEDHN COCCOc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000349800869 369404785 /nfs/dbraw/zinc/40/47/85/369404785.db2.gz KTRLIWFAILSSIQ-HIFRSBDPSA-N 0 3 274.364 2.494 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(C#N)CC1 ZINC000246366393 370950498 /nfs/dbraw/zinc/95/04/98/370950498.db2.gz FTMRULHGDBTZBK-KGLIPLIRSA-N 0 3 292.427 2.052 20 30 CEEDHN CC[C@]1(CO)CCCN1Cc1ccc(C#N)cc1OC ZINC000189671257 369557502 /nfs/dbraw/zinc/55/75/02/369557502.db2.gz FXXFTLKECOJNKF-MRXNPFEDSA-N 0 3 274.364 2.304 20 30 CEEDHN COc1cc(C#N)ccc1CN(CC(C)(C)O)C1CC1 ZINC000189891957 369576873 /nfs/dbraw/zinc/57/68/73/369576873.db2.gz ZNCORBQJHSRFQT-UHFFFAOYSA-N 0 3 274.364 2.302 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](COCC)C(C)C ZINC000276371781 193305453 /nfs/dbraw/zinc/30/54/53/193305453.db2.gz CCGMYEQRYWYNSO-GJZGRUSLSA-N 0 3 282.428 2.226 20 30 CEEDHN C=CCCN(C)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000276452214 193336609 /nfs/dbraw/zinc/33/66/09/193336609.db2.gz PRBXMJGSRZIIDB-LBPRGKRZSA-N 0 3 281.400 2.041 20 30 CEEDHN C[C@@H]1CSCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000190430268 369624009 /nfs/dbraw/zinc/62/40/09/369624009.db2.gz JZPILRLBFCSEBC-WFASDCNBSA-N 0 3 276.405 2.277 20 30 CEEDHN C=CCCOCCNCc1ccc(N(C)CC)nc1 ZINC000191488785 369718116 /nfs/dbraw/zinc/71/81/16/369718116.db2.gz JLOYXVMNLXULHX-UHFFFAOYSA-N 0 3 263.385 2.220 20 30 CEEDHN C=CCN(CCOC)C[C@@H](O)COc1cc(C)ccc1C ZINC000191084169 369675389 /nfs/dbraw/zinc/67/53/89/369675389.db2.gz FSJPMLOTYWBLJZ-MRXNPFEDSA-N 0 3 293.407 2.178 20 30 CEEDHN C=CCN(CCOC)CCc1ccc([N+](=O)[O-])cc1 ZINC000191118788 369680606 /nfs/dbraw/zinc/68/06/06/369680606.db2.gz HYQZMFSNYLCFTO-UHFFFAOYSA-N 0 3 264.325 2.272 20 30 CEEDHN C[C@@H]1CC(O)C[C@H](C)N1CCOc1cccc(C#N)c1 ZINC000191284815 369698044 /nfs/dbraw/zinc/69/80/44/369698044.db2.gz LDFMXJNAUPVAMD-NNQSOWQGSA-N 0 3 274.364 2.171 20 30 CEEDHN CCN1CCN(Cc2cccc(C#N)c2F)[C@@H](C)C1 ZINC000352667768 369826454 /nfs/dbraw/zinc/82/64/54/369826454.db2.gz NELVOWZRUWJRLA-LBPRGKRZSA-N 0 3 261.344 2.223 20 30 CEEDHN C=CCCCN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352669973 369828040 /nfs/dbraw/zinc/82/80/40/369828040.db2.gz CPTMDHWWDZKUBX-GHMZBOCLSA-N 0 3 251.292 2.445 20 30 CEEDHN C[C@@H](O)CN1CCN(c2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000192800403 369856590 /nfs/dbraw/zinc/85/65/90/369856590.db2.gz GSFMPXHJYKSMEO-VXGBXAGGSA-N 0 3 293.798 2.103 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000637323989 369901103 /nfs/dbraw/zinc/90/11/03/369901103.db2.gz OKHIPUUJWGHZSB-UONOGXRCSA-N 0 3 279.428 2.324 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNCc1nc(C#N)cs1 ZINC000352854087 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COC(=O)[C@]1(C)CN(Cc2ccc(C#N)s2)C[C@H]1C ZINC000282656827 375541310 /nfs/dbraw/zinc/54/13/10/375541310.db2.gz GMSIDQPMMVFFES-QMTHXVAHSA-N 0 3 278.377 2.251 20 30 CEEDHN C[C@H](NCC1([S@@](C)=O)CC1)c1cccc(C#N)c1 ZINC000282473273 375494610 /nfs/dbraw/zinc/49/46/10/375494610.db2.gz WKQJQKDAARJUID-BBATYDOGSA-N 0 3 262.378 2.120 20 30 CEEDHN CC[C@@H](N[C@@H](C)C(=O)NCCF)c1ccc(C#N)cc1 ZINC000282664796 375544265 /nfs/dbraw/zinc/54/42/65/375544265.db2.gz ITAYROIYHJVDAF-SMDDNHRTSA-N 0 3 277.343 2.073 20 30 CEEDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc(OC)c(C#N)c1 ZINC000283121079 375658613 /nfs/dbraw/zinc/65/86/13/375658613.db2.gz MWFVZQNEHDIEJN-VXGBXAGGSA-N 0 3 290.363 2.244 20 30 CEEDHN C=CCOCCN[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000684557557 542033127 /nfs/dbraw/zinc/03/31/27/542033127.db2.gz XBKFFWGYOQMWRL-CQSZACIVSA-N 0 3 277.364 2.483 20 30 CEEDHN C=CC[C@@H](Cc1ccccc1)N[C@H]1CCCS(=O)(=O)C1 ZINC000414310011 375829739 /nfs/dbraw/zinc/82/97/39/375829739.db2.gz VOVIBBDGDPSWOI-HOTGVXAUSA-N 0 3 293.432 2.341 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cccc2c1OC(F)(F)O2 ZINC000414365351 375834911 /nfs/dbraw/zinc/83/49/11/375834911.db2.gz KXVUQCDOTQUYQW-SNVBAGLBSA-N 0 3 285.290 2.282 20 30 CEEDHN C=CCCCN(C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418449165 376315059 /nfs/dbraw/zinc/31/50/59/376315059.db2.gz KBHSIRUDUBWUDP-CQSZACIVSA-N 0 3 261.369 2.294 20 30 CEEDHN Cc1nsc(N[C@H]2CCN(C(C)C)C2)c1C#N ZINC000288636858 376380214 /nfs/dbraw/zinc/38/02/14/376380214.db2.gz YUOYRTDPVCYIHK-JTQLQIEISA-N 0 3 250.371 2.218 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCCC[C@@H]1[C@@H](C)O ZINC000305728637 376460042 /nfs/dbraw/zinc/46/00/42/376460042.db2.gz MNNOFLSATAOEAO-IUODEOHRSA-N 0 3 274.364 2.302 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]1C(C)(C)O ZINC000305734574 376462529 /nfs/dbraw/zinc/46/25/29/376462529.db2.gz OYMKMZSSTAINDJ-OAHLLOKOSA-N 0 3 274.364 2.302 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@H]1C(C)(C)O ZINC000305734573 376462746 /nfs/dbraw/zinc/46/27/46/376462746.db2.gz OYMKMZSSTAINDJ-HNNXBMFYSA-N 0 3 274.364 2.302 20 30 CEEDHN C[C@H](NCCSCCCO)c1ccc(C#N)cc1F ZINC000305807861 376499563 /nfs/dbraw/zinc/49/95/63/376499563.db2.gz HHXMMVWTJFMBMB-NSHDSACASA-N 0 3 282.384 2.464 20 30 CEEDHN CC1(C)CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000263980620 190087461 /nfs/dbraw/zinc/08/74/61/190087461.db2.gz FNQHFPJSCUNUFZ-UHFFFAOYSA-N 0 3 271.364 2.049 20 30 CEEDHN CC[C@H]1CN(C)CCN1Cc1ccc(C#N)c(OC)c1 ZINC000556951451 376523638 /nfs/dbraw/zinc/52/36/38/376523638.db2.gz CTBVZIACSGFVRY-HNNXBMFYSA-N 0 3 273.380 2.093 20 30 CEEDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(F)c(C#N)c1 ZINC000334290611 206317786 /nfs/dbraw/zinc/31/77/86/206317786.db2.gz CKAXTSALQQMXFN-RISCZKNCSA-N 0 3 287.338 2.006 20 30 CEEDHN CCN1CCCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000289868588 376537091 /nfs/dbraw/zinc/53/70/91/376537091.db2.gz RJCQPYLWBWDHMA-UHFFFAOYSA-N 0 3 290.342 2.257 20 30 CEEDHN C=CCN1CCC(NC(=O)NCc2cccc(C)c2)CC1 ZINC000264383402 190106636 /nfs/dbraw/zinc/10/66/36/190106636.db2.gz JCDYOCMCKHBDLJ-UHFFFAOYSA-N 0 3 287.407 2.445 20 30 CEEDHN CC[C@@H](C)N(CCO)Cc1cccc(C#N)c1F ZINC000310642350 376629960 /nfs/dbraw/zinc/62/99/60/376629960.db2.gz UDDIYYIJANJDKD-LLVKDONJSA-N 0 3 250.317 2.290 20 30 CEEDHN C=CCCCCNC(=O)N(C)C[C@H]1CCCN1C ZINC000420828206 376723809 /nfs/dbraw/zinc/72/38/09/376723809.db2.gz DDTJCDAPVOAQTM-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000264500724 190114008 /nfs/dbraw/zinc/11/40/08/190114008.db2.gz XVXXBFPRDLYCIT-UHFFFAOYSA-N 0 3 262.313 2.052 20 30 CEEDHN CC#CCN1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420923044 376737872 /nfs/dbraw/zinc/73/78/72/376737872.db2.gz HARCGIODIGKNQK-OLZOCXBDSA-N 0 3 251.370 2.452 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N1CCN(c2ccncc2)CC1 ZINC000684928643 542091976 /nfs/dbraw/zinc/09/19/76/542091976.db2.gz QLCYRTBITRBQIM-CQSZACIVSA-N 0 3 288.395 2.268 20 30 CEEDHN C[C@H]1C[C@@H](CO)CN(CC#Cc2ccc(F)cc2)C1 ZINC000420950790 376748177 /nfs/dbraw/zinc/74/81/77/376748177.db2.gz WOZVXJJLGADPPX-DZGCQCFKSA-N 0 3 261.340 2.128 20 30 CEEDHN C[C@@H](CNc1cccnc1C#N)N1CCC[C@@H](C)C1 ZINC000290446198 376780973 /nfs/dbraw/zinc/78/09/73/376780973.db2.gz COOITDOEDBXBIW-OLZOCXBDSA-N 0 3 258.369 2.486 20 30 CEEDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(CCOCCC#N)C1 ZINC000421026012 376789013 /nfs/dbraw/zinc/78/90/13/376789013.db2.gz RNJHJUTZJQBRSI-KGLIPLIRSA-N 0 3 296.411 2.216 20 30 CEEDHN CN(C[C@H](O)COc1cc(Cl)ccc1C#N)C1CC1 ZINC000290518624 376816782 /nfs/dbraw/zinc/81/67/82/376816782.db2.gz CFNPQYNJSYNXEN-ZDUSSCGKSA-N 0 3 280.755 2.046 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CCOC[C@H]1C1CC1 ZINC000328796539 376899393 /nfs/dbraw/zinc/89/93/93/376899393.db2.gz UWVMHMNAGBYHNP-IRXDYDNUSA-N 0 3 298.386 2.396 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CC[C@H](c3nc(C4CC4)no3)C2)C1 ZINC000328724255 376884832 /nfs/dbraw/zinc/88/48/32/376884832.db2.gz AVTOFZBBOQFQEW-WXHSDQCUSA-N 0 3 272.352 2.429 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CC[C@H](C2CC2)C1)C1CC1 ZINC000328945431 376925147 /nfs/dbraw/zinc/92/51/47/376925147.db2.gz MAUKUCDDCCJKFV-SWLSCSKDSA-N 0 3 261.369 2.367 20 30 CEEDHN Cc1cc(C#N)cc(C)c1OC[C@@H](O)CN(C)C1CC1 ZINC000290859916 376958756 /nfs/dbraw/zinc/95/87/56/376958756.db2.gz YNAJFXWRMLLMOU-HNNXBMFYSA-N 0 3 274.364 2.009 20 30 CEEDHN CCN(CCOc1ccc(C#N)cc1)C[C@H](C)OC ZINC000291188132 377113061 /nfs/dbraw/zinc/11/30/61/377113061.db2.gz IOKLIJMHQYIFGN-ZDUSSCGKSA-N 0 3 262.353 2.294 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOCCC#N ZINC000425529052 377364933 /nfs/dbraw/zinc/36/49/33/377364933.db2.gz ALNLYIXOHZUPIX-CYBMUJFWSA-N 0 3 257.337 2.481 20 30 CEEDHN C=CCOCC(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000425622947 377377705 /nfs/dbraw/zinc/37/77/05/377377705.db2.gz KJRRNIPUHHTNCP-HNNXBMFYSA-N 0 3 288.391 2.099 20 30 CEEDHN CC(C)(CO)[C@@H](NCC#Cc1ccccc1)C1CC1 ZINC000292906336 377345917 /nfs/dbraw/zinc/34/59/17/377345917.db2.gz ASQHTUSIAYXXPH-INIZCTEOSA-N 0 3 257.377 2.425 20 30 CEEDHN C#CCNC(=O)CCN(C)[C@H](C)c1sc(CC)nc1C ZINC000292913082 377347960 /nfs/dbraw/zinc/34/79/60/377347960.db2.gz XGENXLSMPPOICG-GFCCVEGCSA-N 0 3 293.436 2.146 20 30 CEEDHN CC#CCCN(CC1CC1)[C@@](C)(CC)C(=O)OC ZINC000425511731 377357780 /nfs/dbraw/zinc/35/77/80/377357780.db2.gz LSEMJAPUSAQIAI-HNNXBMFYSA-N 0 3 251.370 2.454 20 30 CEEDHN COc1cc(OC)cc(N2CC[C@H](CNCCC#N)C2)c1 ZINC000564849069 377476140 /nfs/dbraw/zinc/47/61/40/377476140.db2.gz IWZPGNOCYSCDDX-CYBMUJFWSA-N 0 3 289.379 2.033 20 30 CEEDHN C=CCN(CCN1CCCOCC1)Cc1ccccc1 ZINC000429706172 377518764 /nfs/dbraw/zinc/51/87/64/377518764.db2.gz FLEPLKVLNJGIFU-UHFFFAOYSA-N 0 3 274.408 2.397 20 30 CEEDHN C=CCN(C)CCN(CC)[C@H](C)c1nc(CC)no1 ZINC000429726116 377520633 /nfs/dbraw/zinc/52/06/33/377520633.db2.gz QIBLTAVJTUKIJG-GFCCVEGCSA-N 0 3 266.389 2.133 20 30 CEEDHN CNC(=O)[C@H]1CCC[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000429794918 377522585 /nfs/dbraw/zinc/52/25/85/377522585.db2.gz XYBHRPKYCVXKCU-GJZGRUSLSA-N 0 3 290.794 2.196 20 30 CEEDHN Cn1cnc2cc(CNCC3(CC#N)CC3)ccc21 ZINC000430017239 377523692 /nfs/dbraw/zinc/52/36/92/377523692.db2.gz ARODIICHUGXVMI-UHFFFAOYSA-N 0 3 254.337 2.357 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C1CCC1)C1CCC1 ZINC000429124139 377509945 /nfs/dbraw/zinc/50/99/45/377509945.db2.gz UGKIEHGVKCGPPC-INIZCTEOSA-N 0 3 277.412 2.448 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccnn1-c1ccccc1 ZINC000281116491 542181284 /nfs/dbraw/zinc/18/12/84/542181284.db2.gz AFIFLPOVRGDDQK-KGLIPLIRSA-N 0 3 271.364 2.460 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)[C@H](C)CCSC ZINC000265518572 190187630 /nfs/dbraw/zinc/18/76/30/190187630.db2.gz QXWNXPNJHRDMBJ-CYBMUJFWSA-N 0 3 270.442 2.260 20 30 CEEDHN C=CCN(CCCC(=O)NC)Cc1cccs1 ZINC000565163116 377580698 /nfs/dbraw/zinc/58/06/98/377580698.db2.gz JQEKGRYQYJSGDI-UHFFFAOYSA-N 0 3 252.383 2.262 20 30 CEEDHN CC(=O)NCC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000265588811 190192355 /nfs/dbraw/zinc/19/23/55/190192355.db2.gz ZGOBHYVUXCLCEL-ZDUSSCGKSA-N 0 3 285.391 2.467 20 30 CEEDHN CN(C)[C@@H](CC(=O)N1CCC(C#N)CC1)c1ccccc1 ZINC000431766965 377670472 /nfs/dbraw/zinc/67/04/72/377670472.db2.gz ULHLKUKFJVPQNF-INIZCTEOSA-N 0 3 285.391 2.442 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000565534623 377671458 /nfs/dbraw/zinc/67/14/58/377671458.db2.gz BVCFBBJWDKRMNQ-YUTCNCBUSA-N 0 3 294.782 2.362 20 30 CEEDHN CC(C)(CC#N)CNC[C@@H](O)COc1ccccc1F ZINC000566122460 377728417 /nfs/dbraw/zinc/72/84/17/377728417.db2.gz MJYPADPYAOUNGW-GFCCVEGCSA-N 0 3 280.343 2.095 20 30 CEEDHN N#Cc1cncnc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000566148435 377736815 /nfs/dbraw/zinc/73/68/15/377736815.db2.gz BBKHOUHJVTUNTG-INIZCTEOSA-N 0 3 293.374 2.019 20 30 CEEDHN C[C@@H](C(=O)NCC1(CC#N)CC1)N1[C@H](C)CC[C@H]1C ZINC000435959346 377814123 /nfs/dbraw/zinc/81/41/23/377814123.db2.gz QENJMUKUQFAYAZ-UPJWGTAASA-N 0 3 263.385 2.058 20 30 CEEDHN Cc1noc(C2CCC(NC[C@H](C#N)CCC#N)CC2)n1 ZINC000567212115 377815728 /nfs/dbraw/zinc/81/57/28/377815728.db2.gz QMFUPOIYUUGYPX-HSBZDZAISA-N 0 3 287.367 2.437 20 30 CEEDHN CC(C)(O)[C@H]1CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567505234 377832573 /nfs/dbraw/zinc/83/25/73/377832573.db2.gz RGGUKDMMRQZEDI-CQSZACIVSA-N 0 3 289.335 2.202 20 30 CEEDHN CCN(CCC#N)C(=O)c1ccccc1CN(C)C ZINC000433319841 377788714 /nfs/dbraw/zinc/78/87/14/377788714.db2.gz RZXVEDZXWOXIOK-UHFFFAOYSA-N 0 3 259.353 2.124 20 30 CEEDHN CC[C@@H](COC)NC(=O)C(C#N)CCc1ccccc1 ZINC000433345043 377789422 /nfs/dbraw/zinc/78/94/22/377789422.db2.gz VFCMLJHPMMBYFE-CABCVRRESA-N 0 3 274.364 2.300 20 30 CEEDHN CC[C@H](C)[C@H](O)CNC(=O)C(C#N)CCc1ccccc1 ZINC000433380834 377792069 /nfs/dbraw/zinc/79/20/69/377792069.db2.gz FTVCSXWAIDZZRR-NUEKZKHPSA-N 0 3 288.391 2.282 20 30 CEEDHN C=CC[C@@H](C)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433917882 377793692 /nfs/dbraw/zinc/79/36/92/377793692.db2.gz HAESJYVRBOJTDF-OCCSQVGLSA-N 0 3 265.401 2.267 20 30 CEEDHN CSCCCN(C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000439466400 377925787 /nfs/dbraw/zinc/92/57/87/377925787.db2.gz HFPMZHSKFTVEHO-GXTWGEPZSA-N 0 3 285.457 2.114 20 30 CEEDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc(C#N)c(OC)c1 ZINC000442837105 378006604 /nfs/dbraw/zinc/00/66/04/378006604.db2.gz PGYGTNUMGSPZPX-NEPJUHHUSA-N 0 3 290.363 2.244 20 30 CEEDHN C#CCN(C)CCCN[C@H](C)c1ccc(OC)cc1OC ZINC000294965821 378032828 /nfs/dbraw/zinc/03/28/28/378032828.db2.gz JOYFPEVZFUOUJR-CQSZACIVSA-N 0 3 290.407 2.310 20 30 CEEDHN CS[C@H](CO)[C@H](C)NCc1ccc(C#N)c(C)c1 ZINC000443996656 378074353 /nfs/dbraw/zinc/07/43/53/378074353.db2.gz VFXGDBCQOIUVDZ-SMDDNHRTSA-N 0 3 264.394 2.069 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](C(C)C)C1 ZINC000444771872 378080326 /nfs/dbraw/zinc/08/03/26/378080326.db2.gz LIWJQPHIEWGXIB-HUUCEWRRSA-N 0 3 279.428 2.363 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)Nc1nccc(C#N)n1 ZINC000294853301 378023968 /nfs/dbraw/zinc/02/39/68/378023968.db2.gz CJIYVONSEWXYSM-CYBMUJFWSA-N 0 3 281.363 2.281 20 30 CEEDHN CC1(C)C[C@@H](O)CCN(CCOc2ccc(C#N)cc2)C1 ZINC000295429818 378153350 /nfs/dbraw/zinc/15/33/50/378153350.db2.gz JFSLPPQQDXCVOG-HNNXBMFYSA-N 0 3 288.391 2.420 20 30 CEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cc(C#N)c[nH]1 ZINC000295357979 378120542 /nfs/dbraw/zinc/12/05/42/378120542.db2.gz FOYWIKQWPYNBTC-AWEZNQCLSA-N 0 3 288.395 2.127 20 30 CEEDHN COc1ccc([C@H](CCn2cncn2)NCCCC#N)cc1 ZINC000446886337 378087904 /nfs/dbraw/zinc/08/79/04/378087904.db2.gz YRTDDSBFZPSPKI-INIZCTEOSA-N 0 3 299.378 2.311 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)[C@]2(C#N)C[C@H]2C)N(C)C)cc1 ZINC000448809363 378184943 /nfs/dbraw/zinc/18/49/43/378184943.db2.gz FQTVYBKUGMDPHF-KMFMINBZSA-N 0 3 285.391 2.264 20 30 CEEDHN C#CCN(Cc1ccc(F)cc1)C[C@H]1CCNC(=O)CC1 ZINC000295573853 378219393 /nfs/dbraw/zinc/21/93/93/378219393.db2.gz RKURDWQGYPTZNU-OAHLLOKOSA-N 0 3 288.366 2.177 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1C ZINC000449695204 378222056 /nfs/dbraw/zinc/22/20/56/378222056.db2.gz DLRGJZAXWMPIMW-ZDUSSCGKSA-N 0 3 264.325 2.320 20 30 CEEDHN C[C@H]1[C@@H](Nc2nccc(C#N)n2)CCN1Cc1ccccc1 ZINC000295747002 378286782 /nfs/dbraw/zinc/28/67/82/378286782.db2.gz ZDYBSKTZZVTRQR-BBRMVZONSA-N 0 3 293.374 2.423 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000449737903 378225381 /nfs/dbraw/zinc/22/53/81/378225381.db2.gz VROJEQNQSKVZJZ-MEDUHNTESA-N 0 3 273.355 2.270 20 30 CEEDHN CC[C@H](CCO)NC(=O)C(C#N)CCc1ccccc1 ZINC000450196088 378319285 /nfs/dbraw/zinc/31/92/85/378319285.db2.gz WSVNIUWUQADOSG-HUUCEWRRSA-N 0 3 274.364 2.036 20 30 CEEDHN COC(=O)CCN(CC(C)C)CC1(C#N)CCC1 ZINC000450322803 378355420 /nfs/dbraw/zinc/35/54/20/378355420.db2.gz BTRHPFVIGBJVNB-UHFFFAOYSA-N 0 3 252.358 2.201 20 30 CEEDHN CC[C@H](C)N1CCN(CC#Cc2ccccc2)CC1 ZINC000296296046 378480876 /nfs/dbraw/zinc/48/08/76/378480876.db2.gz ZLEDKLWJZMMXEJ-INIZCTEOSA-N 0 3 256.393 2.454 20 30 CEEDHN CC[C@@H](C)N1CCN(CC#Cc2ccccc2)CC1 ZINC000296296049 378481535 /nfs/dbraw/zinc/48/15/35/378481535.db2.gz ZLEDKLWJZMMXEJ-MRXNPFEDSA-N 0 3 256.393 2.454 20 30 CEEDHN C#Cc1ccc(CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000296513763 378557062 /nfs/dbraw/zinc/55/70/62/378557062.db2.gz QSFIHFUOJHITKZ-CZUORRHYSA-N 0 3 297.402 2.092 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000278407886 193968844 /nfs/dbraw/zinc/96/88/44/193968844.db2.gz HBRASOSAAKGYBU-HLLBOEOZSA-N 0 3 284.403 2.311 20 30 CEEDHN CN(C)C1(CNCc2ccc(C#N)o2)Cc2ccccc2C1 ZINC000266145847 190234579 /nfs/dbraw/zinc/23/45/79/190234579.db2.gz IRBRUCMXOFEVBK-UHFFFAOYSA-N 0 3 295.386 2.340 20 30 CEEDHN C[C@H]1C[C@H](N(C)c2ccc(C#N)cc2[N+](=O)[O-])CCN1C ZINC000266275184 190245267 /nfs/dbraw/zinc/24/52/67/190245267.db2.gz RWTSUSDZNMVLBU-WCQYABFASA-N 0 3 288.351 2.385 20 30 CEEDHN CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](C)N(C)C ZINC000299182124 378927534 /nfs/dbraw/zinc/92/75/34/378927534.db2.gz UTWMJTQDKWTBNK-LLVKDONJSA-N 0 3 290.367 2.029 20 30 CEEDHN CCOC1CC(N(C)CCOc2ccccc2C#N)C1 ZINC000347443269 218238372 /nfs/dbraw/zinc/23/83/72/218238372.db2.gz DYQBDHJLRULFSQ-UHFFFAOYSA-N 0 3 274.364 2.436 20 30 CEEDHN CC(C)[C@H](C#N)NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000515669448 379237553 /nfs/dbraw/zinc/23/75/53/379237553.db2.gz ZRSVAKYPGOARLW-CVEARBPZSA-N 0 3 285.391 2.173 20 30 CEEDHN CC(C)CCN1CCN(c2cccc(C#N)n2)CC1 ZINC000301294054 379249635 /nfs/dbraw/zinc/24/96/35/379249635.db2.gz WJHJFUUSCPRTIW-UHFFFAOYSA-N 0 3 258.369 2.121 20 30 CEEDHN CCN1CCC[C@H]1CN(C)c1c(C#N)cccc1C#N ZINC000302905899 379474909 /nfs/dbraw/zinc/47/49/09/379474909.db2.gz WHIXDQNRDQORQT-HNNXBMFYSA-N 0 3 268.364 2.350 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000520508075 379480312 /nfs/dbraw/zinc/48/03/12/379480312.db2.gz ILXYWQPTORTXCK-NUEKZKHPSA-N 0 3 294.439 2.204 20 30 CEEDHN CC[C@@H](C)[C@@](C)(O)CNCc1cnc2ccc(C#N)cn12 ZINC000304258254 379537612 /nfs/dbraw/zinc/53/76/12/379537612.db2.gz SGSUODKANMBFHZ-WBMJQRKESA-N 0 3 286.379 2.093 20 30 CEEDHN C[C@@H](O)C[C@@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000305237721 379695208 /nfs/dbraw/zinc/69/52/08/379695208.db2.gz ZAURXAPYFJEAQE-CJNGLKHVSA-N 0 3 261.340 2.413 20 30 CEEDHN CCN1CCCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000267236619 190313894 /nfs/dbraw/zinc/31/38/94/190313894.db2.gz RCTGLRDVLFTQOW-UHFFFAOYSA-N 0 3 264.760 2.139 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](C)[C@H]1CO ZINC000305700294 379732862 /nfs/dbraw/zinc/73/28/62/379732862.db2.gz BIVXGCPGOYFEMM-IUODEOHRSA-N 0 3 274.364 2.160 20 30 CEEDHN N#CC1(C[C@H](O)CN2CC[C@H](Nc3ccccc3)C2)CC1 ZINC000528413458 379965296 /nfs/dbraw/zinc/96/52/96/379965296.db2.gz CFDXYIPLSCQVFH-HOTGVXAUSA-N 0 3 285.391 2.228 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H]1Cc2c1cccc2Cl ZINC000528919965 380135219 /nfs/dbraw/zinc/13/52/19/380135219.db2.gz NWINDSGEKGHXMH-NWDGAFQWSA-N 0 3 290.750 2.213 20 30 CEEDHN CC(C#N)C(=O)N1CCC(Oc2cccc(F)c2)CC1 ZINC000529624041 380181233 /nfs/dbraw/zinc/18/12/33/380181233.db2.gz VXARSJDLVJFRTM-NSHDSACASA-N 0 3 276.311 2.355 20 30 CEEDHN CCCNc1ccc(C#N)cc1NC(=O)/C=C/CN(C)C ZINC000268290018 190393151 /nfs/dbraw/zinc/39/31/51/190393151.db2.gz UFJQDNMJMMVSCE-AATRIKPKSA-N 0 3 286.379 2.436 20 30 CEEDHN C[C@@H]1CCC[C@@](C#N)(NC(=O)CC2CCN(C)CC2)C1 ZINC000334151486 380245204 /nfs/dbraw/zinc/24/52/04/380245204.db2.gz KULWHJGYWZCPKG-CZUORRHYSA-N 0 3 277.412 2.307 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)N2CCC(CC#N)CC2)C1 ZINC000542892820 380321202 /nfs/dbraw/zinc/32/12/02/380321202.db2.gz FFFKQDQNYOPCKD-AWEZNQCLSA-N 0 3 292.427 2.054 20 30 CEEDHN C[C@H](C(=O)N1CCC[C@H](N(C)C)C1)c1cccc(C#N)c1 ZINC000334389020 380343087 /nfs/dbraw/zinc/34/30/87/380343087.db2.gz RHKGRPKPSIDRRJ-BBRMVZONSA-N 0 3 285.391 2.214 20 30 CEEDHN C#C[C@H](NCc1ccc(OCC(=O)OC)cc1)C(C)(C)C ZINC000491766013 380349135 /nfs/dbraw/zinc/34/91/35/380349135.db2.gz DPLVCRQZGSNWBF-HNNXBMFYSA-N 0 3 289.375 2.376 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)/C=C\CN(C)C ZINC000491844025 380355830 /nfs/dbraw/zinc/35/58/30/380355830.db2.gz KZEJLBYBEQIYTC-TWGQIWQCSA-N 0 3 283.375 2.191 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000544585240 380357763 /nfs/dbraw/zinc/35/77/63/380357763.db2.gz QHYMHEPBBZVLMT-HONMWMINSA-N 0 3 276.311 2.322 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@@H](CNC(C)=O)C2)cc1 ZINC000279131164 194297735 /nfs/dbraw/zinc/29/77/35/194297735.db2.gz YHTGPLWUXRJRNQ-KRWDZBQOSA-N 0 3 270.376 2.016 20 30 CEEDHN C[C@@H](NC(=O)CN1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000548829993 380568327 /nfs/dbraw/zinc/56/83/27/380568327.db2.gz OIZNIRYCVPOOHR-CHWSQXEVSA-N 0 3 271.364 2.077 20 30 CEEDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccccc3C#N)[C@H]2C1 ZINC000554730182 380792660 /nfs/dbraw/zinc/79/26/60/380792660.db2.gz NNNLKKBDGFMYBN-OKZBNKHCSA-N 0 3 297.402 2.295 20 30 CEEDHN C=C(C)Cn1c(CC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000555191371 380813354 /nfs/dbraw/zinc/81/33/54/380813354.db2.gz JJIFYGWLOYHDFB-ZIAGYGMSSA-N 0 3 291.443 2.336 20 30 CEEDHN C=CCOCCN1CCC(Nc2ccccn2)CC1 ZINC000555418646 380826903 /nfs/dbraw/zinc/82/69/03/380826903.db2.gz XLDGXDGBBHXWLT-UHFFFAOYSA-N 0 3 261.369 2.161 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000494009969 381153721 /nfs/dbraw/zinc/15/37/21/381153721.db2.gz SKAIZASQNNECNH-STQMWFEESA-N 0 3 266.385 2.245 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494455920 381156265 /nfs/dbraw/zinc/15/62/65/381156265.db2.gz WKVYOMLCJCUYKK-CQSZACIVSA-N 0 3 282.428 2.300 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000494256302 381157106 /nfs/dbraw/zinc/15/71/06/381157106.db2.gz IHGWDBAOXHQXKD-KLHDSHLOSA-N 0 3 294.439 2.204 20 30 CEEDHN CCN1CCC(N(C)C(=O)c2ccc(C#N)s2)CC1 ZINC000334791561 207082552 /nfs/dbraw/zinc/08/25/52/207082552.db2.gz FBEYTSNMHFPPHO-UHFFFAOYSA-N 0 3 277.393 2.176 20 30 CEEDHN CC#CCCN1CCCC[C@H]1COC(=O)NC(C)C ZINC000495750357 381183587 /nfs/dbraw/zinc/18/35/87/381183587.db2.gz OUBWBPWJNRTJAT-AWEZNQCLSA-N 0 3 266.385 2.389 20 30 CEEDHN C=C(C)CN(CC)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000497029178 381238420 /nfs/dbraw/zinc/23/84/20/381238420.db2.gz ZLKNBLQHGCKWSV-ZDUSSCGKSA-N 0 3 286.416 2.112 20 30 CEEDHN CNC(=O)OC[C@H]1CCCCN1CCC(C)(C)C#N ZINC000497045973 381240483 /nfs/dbraw/zinc/24/04/83/381240483.db2.gz SBBUPGSJHNHGPR-GFCCVEGCSA-N 0 3 267.373 2.137 20 30 CEEDHN N#Cc1cnn2cc(CNC[C@@H]3CCCC3(F)F)cnc12 ZINC000575803401 299570303 /nfs/dbraw/zinc/57/03/03/299570303.db2.gz LYYGKDMJXMPGEQ-LBPRGKRZSA-N 0 3 291.305 2.126 20 30 CEEDHN CCC[C@@H](C)C(=O)NCCNCc1cc(C#N)cs1 ZINC000353809211 220341416 /nfs/dbraw/zinc/34/14/16/220341416.db2.gz LNZFKOKYZFIBHA-LLVKDONJSA-N 0 3 279.409 2.262 20 30 CEEDHN CC(C#N)C(=O)NCCOc1ccc2ccccc2c1 ZINC000347055089 533113471 /nfs/dbraw/zinc/11/34/71/533113471.db2.gz AGYIOPUYUKCKPQ-LBPRGKRZSA-N 0 3 268.316 2.494 20 30 CEEDHN C#CCOc1ccccc1CNCC[S@@](=O)C(C)(C)C ZINC000116920589 260008358 /nfs/dbraw/zinc/00/83/58/260008358.db2.gz RJTRJAPMRBRGNH-FQEVSTJZSA-N 0 3 293.432 2.335 20 30 CEEDHN C[C@H]1[C@H](NC(=O)NCC(C)(C)CCC#N)CCCN1C ZINC000355077076 227374341 /nfs/dbraw/zinc/37/43/41/227374341.db2.gz HHQOJHKJYSLSTE-QWHCGFSZSA-N 0 3 280.416 2.098 20 30 CEEDHN C[C@@H]1[C@H](NC(=O)NCC(C)(C)CCC#N)CCCN1C ZINC000355077069 227374449 /nfs/dbraw/zinc/37/44/49/227374449.db2.gz HHQOJHKJYSLSTE-CHWSQXEVSA-N 0 3 280.416 2.098 20 30 CEEDHN COc1cc(CNCC[S@](=O)C(C)(C)C)ccc1C#N ZINC000281711608 195347236 /nfs/dbraw/zinc/34/72/36/195347236.db2.gz OOTUVHJYSMWYPI-FQEVSTJZSA-N 0 3 294.420 2.204 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H](CCO)C(C)C ZINC000162198918 533270118 /nfs/dbraw/zinc/27/01/18/533270118.db2.gz FBOMRQQGUPOCGQ-CQSZACIVSA-N 0 3 262.353 2.063 20 30 CEEDHN CO[C@]1(CN[C@@H](C)c2cccc(C#N)c2)CCOC1 ZINC000123140500 533382437 /nfs/dbraw/zinc/38/24/37/533382437.db2.gz IHKCAQBJDNQWKA-WFASDCNBSA-N 0 3 260.337 2.014 20 30 CEEDHN COC(=O)C(C)(C)CN[C@@H](C)c1cccc(C#N)c1 ZINC000190716994 130139199 /nfs/dbraw/zinc/13/91/99/130139199.db2.gz ZSZYLCVIISZLPL-NSHDSACASA-N 0 3 260.337 2.408 20 30 CEEDHN CN(C)[C@@H]1CCCN(C(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000263904356 131357009 /nfs/dbraw/zinc/35/70/09/131357009.db2.gz GABJZLOCXQWCME-ZNFPLGDCSA-N 0 3 283.375 2.124 20 30 CEEDHN CC[C@H](C)CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000088499042 135055322 /nfs/dbraw/zinc/05/53/22/135055322.db2.gz BXJWBCBQEXHXSF-ZDUSSCGKSA-N 0 3 258.369 2.121 20 30 CEEDHN CC(C)[C@@H](C)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000030148476 394484897 /nfs/dbraw/zinc/48/48/97/394484897.db2.gz DYEOKMNRHKOUAH-GFCCVEGCSA-N 0 3 259.353 2.473 20 30 CEEDHN CC(C)(C)CC[C@@H](CO)NCc1ccc(C#N)o1 ZINC000355728526 394515082 /nfs/dbraw/zinc/51/50/82/394515082.db2.gz KEZVFIWIXAWJKO-NSHDSACASA-N 0 3 250.342 2.428 20 30 CEEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)N ZINC000037800137 394498044 /nfs/dbraw/zinc/49/80/44/394498044.db2.gz CRRUMWVRBLMURM-QMMMGPOBSA-N 0 3 258.774 2.263 20 30 CEEDHN Cc1cc(NCC2=CCN(C)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413232268 394509145 /nfs/dbraw/zinc/50/91/45/394509145.db2.gz ULKPJXIGPJSVFE-UHFFFAOYSA-N 0 3 286.335 2.449 20 30 CEEDHN C[C@@H](CNC(=O)Cc1ccnn1C)N1CCC(C)CC1 ZINC000329886513 394592402 /nfs/dbraw/zinc/59/24/02/394592402.db2.gz WFDBHLWRLXJCJT-ZDUSSCGKSA-N 0 3 278.400 2.040 20 30 CEEDHN N#Cc1csc(CN2CC[C@@H](N3CCCCC3)C2)n1 ZINC000356209046 394562646 /nfs/dbraw/zinc/56/26/46/394562646.db2.gz BLQSQTWPEXDTNJ-CYBMUJFWSA-N 0 3 276.409 2.075 20 30 CEEDHN CN(C)CCN(C)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000356288207 394574338 /nfs/dbraw/zinc/57/43/38/394574338.db2.gz VIBMXKPRPGTVQB-HNNXBMFYSA-N 0 3 273.380 2.094 20 30 CEEDHN C[C@H](NC(=O)C[C@H]1CCCC(=O)N1)C1=CCN(C)CC1 ZINC000329582072 394574829 /nfs/dbraw/zinc/57/48/29/394574829.db2.gz VIVYVHLBDCWYRZ-WCQYABFASA-N 0 3 279.384 2.492 20 30 CEEDHN CN(C)CC1(NC(=O)Cn2cc3ccccc3n2)CCC1 ZINC000329802680 394586167 /nfs/dbraw/zinc/58/61/67/394586167.db2.gz KNMWHGCLYXSREJ-UHFFFAOYSA-N 0 3 286.379 2.477 20 30 CEEDHN C[C@H]1C[C@@H]1N1CCN(c2ncc(C#N)cc2F)C[C@@H](C)C1 ZINC000413297583 394520027 /nfs/dbraw/zinc/52/00/27/394520027.db2.gz FIHOIDFSQJIBRS-HUBLWGQQSA-N 0 3 288.370 2.259 20 30 CEEDHN CC[C@H](C(=O)N(CCC#N)CC(C)(C)C)N(C)C ZINC000413371842 394537036 /nfs/dbraw/zinc/53/70/36/394537036.db2.gz FGOLNOJLQCBWOO-GFCCVEGCSA-N 0 3 253.390 2.115 20 30 CEEDHN CC[C@H](CC#N)NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000248395895 394539621 /nfs/dbraw/zinc/53/96/21/394539621.db2.gz JRUZPRDYTDLRTG-FVCCEPFGSA-N 0 3 251.374 2.056 20 30 CEEDHN CC(C)N1CCC[C@@H](NC(=O)c2cnn(C)c2C2CC2)C1 ZINC000329952582 394596959 /nfs/dbraw/zinc/59/69/59/394596959.db2.gz MVJOVEZHPLVGFQ-CYBMUJFWSA-N 0 3 290.411 2.475 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)c1csc(=O)[nH]1 ZINC000329959328 394597974 /nfs/dbraw/zinc/59/79/74/394597974.db2.gz RCNYIZIELUFENO-VIFPVBQESA-N 0 3 269.370 2.028 20 30 CEEDHN C[C@H](CNC(=O)Nc1cnc(C(C)(C)C)nc1)N(C)C ZINC000330438930 394610379 /nfs/dbraw/zinc/61/03/79/394610379.db2.gz SSUWOPNDDARPNG-SNVBAGLBSA-N 0 3 279.388 2.050 20 30 CEEDHN C[C@H]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000263730943 394630406 /nfs/dbraw/zinc/63/04/06/394630406.db2.gz PVEGKEBPXZHOTD-WFASDCNBSA-N 0 3 269.348 2.005 20 30 CEEDHN N#Cc1csc(C(=O)N2CCC[C@@H]2CN2CCCC2)c1 ZINC000084183159 394641761 /nfs/dbraw/zinc/64/17/61/394641761.db2.gz BCHPDNXNOKINJH-CYBMUJFWSA-N 0 3 289.404 2.320 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)CN1C1CC1 ZINC000333606601 394649069 /nfs/dbraw/zinc/64/90/69/394649069.db2.gz VZSUTDSHYMUUCN-IIYDPXPESA-N 0 3 287.407 2.202 20 30 CEEDHN CC(C)N1CCC[C@@H](NC(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000333667044 394650799 /nfs/dbraw/zinc/65/07/99/394650799.db2.gz IBCAELSMLZZRLZ-RHSMWYFYSA-N 0 3 289.423 2.449 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc(CC#N)cc1 ZINC000270338255 394730777 /nfs/dbraw/zinc/73/07/77/394730777.db2.gz PNKCVKICXMXJTD-HNNXBMFYSA-N 0 3 285.391 2.166 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CC1CCC1 ZINC000111297198 394738102 /nfs/dbraw/zinc/73/81/02/394738102.db2.gz RFOARXGKDYKMBY-ZDUSSCGKSA-N 0 3 277.412 2.449 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000334329159 394675362 /nfs/dbraw/zinc/67/53/62/394675362.db2.gz IYTLETADHIKUMZ-VHSXEESVSA-N 0 3 295.745 2.334 20 30 CEEDHN CC(C#N)C(=O)N1CCc2ccc(Br)cc2C1 ZINC000334325656 394675383 /nfs/dbraw/zinc/67/53/83/394675383.db2.gz KYQPTBCYYDWTHT-VIFPVBQESA-N 0 3 293.164 2.493 20 30 CEEDHN COCCOCCN(CCCC#N)Cc1ccccc1 ZINC000268316533 394692878 /nfs/dbraw/zinc/69/28/78/394692878.db2.gz JJHKBTPYEUJYGX-UHFFFAOYSA-N 0 3 276.380 2.455 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000334512279 394694929 /nfs/dbraw/zinc/69/49/29/394694929.db2.gz RCQIAFIXVAWYRV-OLZOCXBDSA-N 0 3 265.401 2.077 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000359940991 394781637 /nfs/dbraw/zinc/78/16/37/394781637.db2.gz RIPSYOSHHLXXNY-LBPRGKRZSA-N 0 3 282.259 2.236 20 30 CEEDHN N#CCCCC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000360157417 394791092 /nfs/dbraw/zinc/79/10/92/394791092.db2.gz UWAHQGWSYGPPHS-AWEZNQCLSA-N 0 3 263.385 2.157 20 30 CEEDHN COCCN1CCC(Nc2ccc(CC#N)cc2)CC1 ZINC000360189696 394791995 /nfs/dbraw/zinc/79/19/95/394791995.db2.gz RTGKVIYYVZQGDL-UHFFFAOYSA-N 0 3 273.380 2.275 20 30 CEEDHN C=C[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000360349630 394798195 /nfs/dbraw/zinc/79/81/95/394798195.db2.gz RASUCHIVQTUCRN-IJEWVQPXSA-N 0 3 287.407 2.381 20 30 CEEDHN C=CCN(CCCO[C@H]1CCCCO1)CCOC ZINC000338356439 394916306 /nfs/dbraw/zinc/91/63/06/394916306.db2.gz KIWRUVDRUICUKK-AWEZNQCLSA-N 0 3 257.374 2.054 20 30 CEEDHN CC#CCN(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338598995 394923995 /nfs/dbraw/zinc/92/39/95/394923995.db2.gz RABJUOQAJFVREV-UHFFFAOYSA-N 0 3 266.348 2.255 20 30 CEEDHN C=CCOCCN1CCc2cc(OC)c(OC)cc2CC1 ZINC000338926955 394933203 /nfs/dbraw/zinc/93/32/03/394933203.db2.gz UXZIPCXSCHMABM-UHFFFAOYSA-N 0 3 291.391 2.307 20 30 CEEDHN C=CCCCCCN1CCCN(CC(=O)NC(C)C)CC1 ZINC000365951420 394935742 /nfs/dbraw/zinc/93/57/42/394935742.db2.gz BLWZFNYLRJGRJZ-UHFFFAOYSA-N 0 3 295.471 2.265 20 30 CEEDHN C=CCOCCN[C@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000339044097 394938629 /nfs/dbraw/zinc/93/86/29/394938629.db2.gz KUGBQWJDCMCKBY-HIFRSBDPSA-N 0 3 277.364 2.329 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CC[C@@H](N2CCCCC2)C1)OCC ZINC000339359306 394956350 /nfs/dbraw/zinc/95/63/50/394956350.db2.gz DWPKVZJHZKTSLD-CVEARBPZSA-N 0 3 294.439 2.445 20 30 CEEDHN CC#CCCN1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000283934350 394939721 /nfs/dbraw/zinc/93/97/21/394939721.db2.gz BAODJOLAQBBOBV-KRWDZBQOSA-N 0 3 256.393 2.259 20 30 CEEDHN CC1(C)CN(CCOCCC#N)CC2(CCCC2)O1 ZINC000339114998 394944327 /nfs/dbraw/zinc/94/43/27/394944327.db2.gz WMIYBYHPZORVKN-UHFFFAOYSA-N 0 3 266.385 2.340 20 30 CEEDHN CN(C)c1noc([C@@H]2CCCN([C@H]3CC[C@H](C#N)C3)C2)n1 ZINC000339158593 394946919 /nfs/dbraw/zinc/94/69/19/394946919.db2.gz NDKYYXHTYPSMKG-XQQFMLRXSA-N 0 3 289.383 2.007 20 30 CEEDHN C#CC(C)(C)N(C)C[C@H](O)COc1ccccc1Cl ZINC000286291439 395018514 /nfs/dbraw/zinc/01/85/14/395018514.db2.gz VBAUAUQPZVCYOB-LBPRGKRZSA-N 0 3 281.783 2.423 20 30 CEEDHN C=CCOc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000153946930 395020649 /nfs/dbraw/zinc/02/06/49/395020649.db2.gz MKBGKBQCOFWGCV-OAHLLOKOSA-N 0 3 288.391 2.418 20 30 CEEDHN CNC(=O)[C@H](C)CN(C)CC#Cc1cccc(Cl)c1 ZINC000154274576 395021993 /nfs/dbraw/zinc/02/19/93/395021993.db2.gz DTGVVOIVJQQHDN-GFCCVEGCSA-N 0 3 278.783 2.005 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCSCC(C)C)CC1 ZINC000339480612 394962228 /nfs/dbraw/zinc/96/22/28/394962228.db2.gz AEMBLOGIDITTRK-UHFFFAOYSA-N 0 3 299.484 2.325 20 30 CEEDHN C[C@H]1CN(CCCC2(C#N)CCOCC2)C[C@H](C)N1C ZINC000339630998 394965780 /nfs/dbraw/zinc/96/57/80/394965780.db2.gz OJNQEQBIMJJHBV-GJZGRUSLSA-N 0 3 279.428 2.111 20 30 CEEDHN C=C(C)CN(CC)C(=O)c1ccnc(OCCN(C)C)c1 ZINC000136369806 394970276 /nfs/dbraw/zinc/97/02/76/394970276.db2.gz PFAOGBGFJWFVFG-UHFFFAOYSA-N 0 3 291.395 2.060 20 30 CEEDHN C#Cc1ccc(CNC[C@@H]2CN3CCCC[C@H]3CO2)cc1 ZINC000368028288 394975447 /nfs/dbraw/zinc/97/54/47/394975447.db2.gz CMFMDSHPMHDACD-ZWKOTPCHSA-N 0 3 284.403 2.011 20 30 CEEDHN C=C(CNC(=O)N1CC[C@H]2CCN(C)C[C@H]21)c1ccccc1 ZINC000287939727 395049864 /nfs/dbraw/zinc/04/98/64/395049864.db2.gz FQPWDBOHBWSVLG-IAGOWNOFSA-N 0 3 299.418 2.435 20 30 CEEDHN C#Cc1ccc(CN2CC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000290438378 395103497 /nfs/dbraw/zinc/10/34/97/395103497.db2.gz LRYSONMVDUGFJB-KRWDZBQOSA-N 0 3 282.387 2.112 20 30 CEEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@](O)(C3CC3)C2)cc1 ZINC000373322740 395058963 /nfs/dbraw/zinc/05/89/63/395058963.db2.gz JOORWPSKRGTPLB-DYVFJYSZSA-N 0 3 286.375 2.324 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCN(C)C[C@@H]1C(C)C ZINC000425483634 395060491 /nfs/dbraw/zinc/06/04/91/395060491.db2.gz RSGFRNUSBJGUMY-MRXNPFEDSA-N 0 3 287.407 2.339 20 30 CEEDHN C[C@@H]1C[C@@]2(CCO1)CN(CCCSCC#N)C[C@H](C)O2 ZINC000374015689 395070025 /nfs/dbraw/zinc/07/00/25/395070025.db2.gz XBMIKXASPOWUAS-ILXRZTDVSA-N 0 3 298.452 2.292 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccncc1)Cc1cccnc1 ZINC000345770211 395076371 /nfs/dbraw/zinc/07/63/71/395076371.db2.gz TVFVXAQQSIFAGU-ZDUSSCGKSA-N 0 3 280.331 2.165 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)COc1ccc(F)cc1F ZINC000345765018 395076587 /nfs/dbraw/zinc/07/65/87/395076587.db2.gz ORNUUMCMCMBJMH-RKDXNWHRSA-N 0 3 268.263 2.008 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@]1(C)CCO[C@@H]1C ZINC000494236367 395101894 /nfs/dbraw/zinc/10/18/94/395101894.db2.gz CSZSBYAKAQSIEC-ABAIWWIYSA-N 0 3 260.337 2.224 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN1CCCC[C@H]1CC ZINC000346004851 395084812 /nfs/dbraw/zinc/08/48/12/395084812.db2.gz LXGQPVQPROCFJU-PMPSAXMXSA-N 0 3 294.439 2.348 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C1(C#N)CCC1 ZINC000346082507 395087261 /nfs/dbraw/zinc/08/72/61/395087261.db2.gz GUFOTFGAHDRXMR-STQMWFEESA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(CC)[C@@H]1CCOC(C)(C)C1 ZINC000289839198 395088810 /nfs/dbraw/zinc/08/88/10/395088810.db2.gz PAEFQTFKDQDUGA-OAHLLOKOSA-N 0 3 294.439 2.467 20 30 CEEDHN C=C[C@H](CO)N[C@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000289870756 395089854 /nfs/dbraw/zinc/08/98/54/395089854.db2.gz RLTIOTXQDINQDK-KCXAZCMYSA-N 0 3 289.375 2.305 20 30 CEEDHN C=CCC[C@@H](O)CN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346209890 395091213 /nfs/dbraw/zinc/09/12/13/395091213.db2.gz OEKRYHGVRGRWAP-QWHCGFSZSA-N 0 3 277.368 2.063 20 30 CEEDHN CCO[C@H](C)c1nc(CN(C)C(=O)C(C)C#N)cs1 ZINC000346225339 395092349 /nfs/dbraw/zinc/09/23/49/395092349.db2.gz UDHGGHSQHDBUFO-NXEZZACHSA-N 0 3 281.381 2.359 20 30 CEEDHN C=CCOc1ccccc1CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000346322717 395095252 /nfs/dbraw/zinc/09/52/52/395095252.db2.gz SYYYMOXSUSBGGR-NUEKZKHPSA-N 0 3 273.376 2.454 20 30 CEEDHN COc1cccc(F)c1[C@@H](C)NC(=O)C(C)C#N ZINC000346326173 395095565 /nfs/dbraw/zinc/09/55/65/395095565.db2.gz ITCIGVBCDNZGBJ-RKDXNWHRSA-N 0 3 250.273 2.171 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(C#N)CCCCC2)CC1 ZINC000171714647 395097341 /nfs/dbraw/zinc/09/73/41/395097341.db2.gz PKGFFBNLSNJWRP-UHFFFAOYSA-N 0 3 275.396 2.227 20 30 CEEDHN CN(C)[C@H](CC(=O)NCC1(CC#N)CC1)c1ccccc1 ZINC000416221983 395033616 /nfs/dbraw/zinc/03/36/16/395033616.db2.gz CXZHYDRVOPXFHF-OAHLLOKOSA-N 0 3 285.391 2.489 20 30 CEEDHN C=CCC[C@@H](CO)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416245608 395036928 /nfs/dbraw/zinc/03/69/28/395036928.db2.gz LAIOUQKXWPZCTK-HOTGVXAUSA-N 0 3 290.407 2.123 20 30 CEEDHN CCN1CCCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000158088594 395037794 /nfs/dbraw/zinc/03/77/94/395037794.db2.gz CBLHZSNNTDGUIE-UHFFFAOYSA-N 0 3 273.380 2.094 20 30 CEEDHN CC#CCN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372523210 395043024 /nfs/dbraw/zinc/04/30/24/395043024.db2.gz BAJMZXOKICAMDH-HOTGVXAUSA-N 0 3 257.381 2.030 20 30 CEEDHN C[C@@H](NCC(=O)NC1(C#N)CCC1)[C@H](C)c1ccccc1 ZINC000346932472 395113541 /nfs/dbraw/zinc/11/35/41/395113541.db2.gz BDXMWBSFGJSKGL-UONOGXRCSA-N 0 3 285.391 2.331 20 30 CEEDHN C=C[C@](C)(O)CC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000290693772 395114553 /nfs/dbraw/zinc/11/45/53/395114553.db2.gz IZUOVRBPAJXUJL-XKQJLSEDSA-N 0 3 290.407 2.121 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000376326014 395115998 /nfs/dbraw/zinc/11/59/98/395115998.db2.gz VGEWYVOFOITTSJ-DOTOQJQBSA-N 0 3 299.418 2.220 20 30 CEEDHN C=CCOCCCN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000348057205 395133629 /nfs/dbraw/zinc/13/36/29/395133629.db2.gz SRAIRNMMHIRMMZ-MRXNPFEDSA-N 0 3 288.391 2.142 20 30 CEEDHN CC(C#N)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427593293 395122174 /nfs/dbraw/zinc/12/21/74/395122174.db2.gz JTSRFGQBDSDVDG-SNVBAGLBSA-N 0 3 273.292 2.245 20 30 CEEDHN C[C@H](C#N)Oc1ccc(CN2CC([C@H]3CCOC3)C2)cc1 ZINC000376021475 395107824 /nfs/dbraw/zinc/10/78/24/395107824.db2.gz MJFLGSGRKKRSTM-HIFRSBDPSA-N 0 3 286.375 2.446 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@](C)(OC)C1 ZINC000348207788 395138555 /nfs/dbraw/zinc/13/85/55/395138555.db2.gz YIXRZBFDXLCINJ-HOCLYGCPSA-N 0 3 282.428 2.300 20 30 CEEDHN C[C@H](CNC(=O)NCC1(CC#N)CC1)N1CCCC[C@@H]1C ZINC000430166916 395161906 /nfs/dbraw/zinc/16/19/06/395161906.db2.gz RLQGJJMEBRBBLX-UONOGXRCSA-N 0 3 292.427 2.242 20 30 CEEDHN N#Cc1cccc(CN2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000178581950 395169638 /nfs/dbraw/zinc/16/96/38/395169638.db2.gz YFVMOKHTVHFUNW-LSDHHAIUSA-N 0 3 274.389 2.265 20 30 CEEDHN N#Cc1ccc(CN[C@H](CCO)C2CCCCC2)nc1 ZINC000514916645 395172593 /nfs/dbraw/zinc/17/25/93/395172593.db2.gz QRHMRKZOEGCHQI-MRXNPFEDSA-N 0 3 273.380 2.374 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC2(CF)CCC2)CC1 ZINC000516648347 395179862 /nfs/dbraw/zinc/17/98/62/395179862.db2.gz YBQOOGCZQMJADG-UHFFFAOYSA-N 0 3 283.391 2.218 20 30 CEEDHN N#Cc1c(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cn2ccccc12 ZINC000398897618 395239559 /nfs/dbraw/zinc/23/95/59/395239559.db2.gz LHBPTKWWAPQMAP-LZWOXQAQSA-N 0 3 295.386 2.404 20 30 CEEDHN C=CCOCCN(C)CCc1nc(-c2ccccc2)no1 ZINC000293681532 395246758 /nfs/dbraw/zinc/24/67/58/395246758.db2.gz VPJBDWDDCVXAQY-UHFFFAOYSA-N 0 3 287.363 2.414 20 30 CEEDHN C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)[C@@H](C)CN1CCO ZINC000419010897 395247054 /nfs/dbraw/zinc/24/70/54/395247054.db2.gz YZIUEGTZPCZRSA-NEPJUHHUSA-N 0 3 293.798 2.103 20 30 CEEDHN C=CCC[C@@H](O)CN1CCc2c(cccc2OC)C1 ZINC000182676034 395247202 /nfs/dbraw/zinc/24/72/02/395247202.db2.gz UNMWJHSBMKPKLK-CQSZACIVSA-N 0 3 261.365 2.380 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000527475132 395278282 /nfs/dbraw/zinc/27/82/82/395278282.db2.gz BXMVGTQJMIPGOG-CAOSSQGBSA-N 0 3 279.343 2.155 20 30 CEEDHN COc1ccc(CCNCc2ccc(C#N)c(F)c2)cn1 ZINC000527799310 395280886 /nfs/dbraw/zinc/28/08/86/395280886.db2.gz USOSHLZHUXDRIA-UHFFFAOYSA-N 0 3 285.322 2.433 20 30 CEEDHN C=CCOCC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000354310797 395324865 /nfs/dbraw/zinc/32/48/65/395324865.db2.gz GNDFRSSTKPODKA-MRXNPFEDSA-N 0 3 290.407 2.171 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000352992875 395282677 /nfs/dbraw/zinc/28/26/77/395282677.db2.gz RZKHFFZWXVZTPI-KBPBESRZSA-N 0 3 270.442 2.142 20 30 CEEDHN CC1(C)CCCN[C@@H]1C(=O)N1Cc2cccc(C#N)c2C1 ZINC000405076786 395287776 /nfs/dbraw/zinc/28/77/76/395287776.db2.gz MPNWWBUHXHKVFJ-OAHLLOKOSA-N 0 3 283.375 2.179 20 30 CEEDHN CCN(C)C(=O)[C@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000188475493 395316257 /nfs/dbraw/zinc/31/62/57/395316257.db2.gz UWYCQNPBLQSJMU-OLZOCXBDSA-N 0 3 289.379 2.106 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)NCC(C)(C)CCC#N)CN1C1CC1 ZINC000354235914 395322144 /nfs/dbraw/zinc/32/21/44/395322144.db2.gz MMYUKDLRZDHZIJ-QWHCGFSZSA-N 0 3 292.427 2.241 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000352452567 395255214 /nfs/dbraw/zinc/25/52/14/395255214.db2.gz ALRFAHKWMWAMRJ-HOCLYGCPSA-N 0 3 282.428 2.015 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](SC)c1ccccc1 ZINC000293935762 395258569 /nfs/dbraw/zinc/25/85/69/395258569.db2.gz IJWBLNRHFBEFAN-HNNXBMFYSA-N 0 3 290.432 2.162 20 30 CEEDHN C[C@@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)CC(F)(F)F ZINC000419341888 395261265 /nfs/dbraw/zinc/26/12/65/395261265.db2.gz ZSHUGDFZKRRREW-SKDRFNHKSA-N 0 3 299.296 2.263 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)c1ccccc1OCCN(C)C ZINC000183800534 395262605 /nfs/dbraw/zinc/26/26/05/395262605.db2.gz FTQMTUMHBIWCFV-ZDUSSCGKSA-N 0 3 289.379 2.049 20 30 CEEDHN C=CCOCCCN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352672618 395264407 /nfs/dbraw/zinc/26/44/07/395264407.db2.gz VFNXCFKAZVRAIQ-RYUDHWBXSA-N 0 3 281.318 2.072 20 30 CEEDHN C[C@@H]1C[C@@H](C)N1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000525940626 395272645 /nfs/dbraw/zinc/27/26/45/395272645.db2.gz DNEWBILMLYCVON-JMSVASOKSA-N 0 3 267.332 2.250 20 30 CEEDHN CN(C)CCN(Cc1ccc(F)cc1)c1cncc(C#N)n1 ZINC000420593954 395382838 /nfs/dbraw/zinc/38/28/38/395382838.db2.gz CWDBPPBSWPGWHM-UHFFFAOYSA-N 0 3 299.353 2.056 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2cccnc2-n2cccn2)C1 ZINC000442717923 395392213 /nfs/dbraw/zinc/39/22/13/395392213.db2.gz PMLKZNXRFUBOMK-JSGCOSHPSA-N 0 3 267.336 2.049 20 30 CEEDHN CNC(=O)[C@@H](NCCC1(C#N)CCCCC1)C(C)C ZINC000411468494 395328069 /nfs/dbraw/zinc/32/80/69/395328069.db2.gz HSCSGEPMFLGSFX-ZDUSSCGKSA-N 0 3 265.401 2.211 20 30 CEEDHN N#CC(C(=O)c1cc(F)cc(F)c1)c1ccncn1 ZINC000354463398 395333946 /nfs/dbraw/zinc/33/39/46/395333946.db2.gz IAMMBNNVNBJBLF-LLVKDONJSA-N 0 3 259.215 2.245 20 30 CEEDHN C[C@@H](CCC#N)N1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000411659369 395335600 /nfs/dbraw/zinc/33/56/00/395335600.db2.gz GGHPBFMJRSSWGI-ZFWWWQNUSA-N 0 3 266.385 2.339 20 30 CEEDHN C=CCOCCN1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000411978249 395342409 /nfs/dbraw/zinc/34/24/09/395342409.db2.gz ARQVQRIBAPASAR-INIZCTEOSA-N 0 3 274.408 2.395 20 30 CEEDHN C[C@@H](CNC(=O)Cc1cccc(C#N)c1)N1CCCC[C@@H]1C ZINC000530909676 395457921 /nfs/dbraw/zinc/45/79/21/395457921.db2.gz DFTYIJBVDNDDNR-GJZGRUSLSA-N 0 3 299.418 2.480 20 30 CEEDHN Cc1cc(CNC(C)(C)CCS(C)(=O)=O)ccc1C#N ZINC000443991717 395409356 /nfs/dbraw/zinc/40/93/56/395409356.db2.gz UXJHASGPLGZJBP-UHFFFAOYSA-N 0 3 294.420 2.170 20 30 CEEDHN Cc1cc(CN[C@H](C)CO[C@@H]2CCOC2)ccc1C#N ZINC000443987764 395409537 /nfs/dbraw/zinc/40/95/37/395409537.db2.gz LCUWMYCUMPKYQY-CZUORRHYSA-N 0 3 274.364 2.150 20 30 CEEDHN CN(C)C1(CNC(=O)NCC(C)(C)CCC#N)CCC1 ZINC000355369564 395425142 /nfs/dbraw/zinc/42/51/42/395425142.db2.gz PSTUYTBXJQZUMY-UHFFFAOYSA-N 0 3 280.416 2.100 20 30 CEEDHN C[C@@H]1C[C@H](N2CCN(Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000420898149 395432991 /nfs/dbraw/zinc/43/29/91/395432991.db2.gz DTLVGQOUKGWGTE-CRAIPNDOSA-N 0 3 299.418 2.243 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000448576038 395519497 /nfs/dbraw/zinc/51/94/97/395519497.db2.gz XPXDDGHDHSOQCC-MRXNPFEDSA-N 0 3 296.374 2.228 20 30 CEEDHN CCC[C@H](NC[C@H](O)CN(C)CCC#N)c1ccccc1 ZINC000573070069 395599450 /nfs/dbraw/zinc/59/94/50/395599450.db2.gz MTSSVDLSBWCTMX-IRXDYDNUSA-N 0 3 289.423 2.324 20 30 CEEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)nc1 ZINC000573503557 395609891 /nfs/dbraw/zinc/60/98/91/395609891.db2.gz OATHJANIBCPNAM-BBWFWOEESA-N 0 3 285.391 2.469 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2ccc(Cn3cncn3)cc2)C1 ZINC000573727855 395616418 /nfs/dbraw/zinc/61/64/18/395616418.db2.gz WKNKJBHDLSSAGX-HOTGVXAUSA-N 0 3 281.363 2.108 20 30 CEEDHN C[C@@H](NC[C@@H](O)CN(C)CCC#N)c1ccc(Cl)cc1 ZINC000568502450 395562845 /nfs/dbraw/zinc/56/28/45/395562845.db2.gz QISWAJMSRWNYHI-IUODEOHRSA-N 0 3 295.814 2.197 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H]2C2CC2)cc1 ZINC000570369179 395582125 /nfs/dbraw/zinc/58/21/25/395582125.db2.gz LSYLAMGXAMQDNH-HZPDHXFCSA-N 0 3 279.343 2.251 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](OC)[C@@H](C)C1 ZINC000451537839 395622486 /nfs/dbraw/zinc/62/24/86/395622486.db2.gz CXYHTQPCMZMBJG-SOUVJXGZSA-N 0 3 282.428 2.156 20 30 CEEDHN CC[C@@](C)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)OC ZINC000452742183 395626920 /nfs/dbraw/zinc/62/69/20/395626920.db2.gz QJDYUZHLGULFLH-WBVHZDCISA-N 0 3 299.374 2.172 20 30 CEEDHN CON1CCC(N(C)Cc2ccc(C#N)s2)CC1 ZINC000453626132 395628185 /nfs/dbraw/zinc/62/81/85/395628185.db2.gz SHFOHYQAAOCUGS-UHFFFAOYSA-N 0 3 265.382 2.077 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)Nc2cc(C)cc(C#N)c2)C1 ZINC000455983114 395632269 /nfs/dbraw/zinc/63/22/69/395632269.db2.gz ILCANCOKUJIGEV-CQSZACIVSA-N 0 3 286.379 2.473 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(C#N)c(F)c1 ZINC000456823840 395634212 /nfs/dbraw/zinc/63/42/12/395634212.db2.gz ADVPKKULKCZBEM-VXGBXAGGSA-N 0 3 289.354 2.186 20 30 CEEDHN Cc1nc(N2CCN(C)C[C@@H]2C(C)C)ccc1C#N ZINC000488075741 395667900 /nfs/dbraw/zinc/66/79/00/395667900.db2.gz DCWJPSQZLXXZGS-CQSZACIVSA-N 0 3 258.369 2.038 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCN(C)[C@@H](C(C)C)C1 ZINC000488201078 395668199 /nfs/dbraw/zinc/66/81/99/395668199.db2.gz ZDQXEIQUBFHAPF-MRXNPFEDSA-N 0 3 287.407 2.339 20 30 CEEDHN C#C[C@H](CCC)NC(=O)c1cccc(CN(C)C)c1 ZINC000491634011 395670158 /nfs/dbraw/zinc/67/01/58/395670158.db2.gz QGSRAJPJXDXHJJ-OAHLLOKOSA-N 0 3 258.365 2.280 20 30 CEEDHN CN(C)C/C=C\C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000492543473 395671133 /nfs/dbraw/zinc/67/11/33/395671133.db2.gz WYULAXXTHXDLEP-ARJAWSKDSA-N 0 3 283.375 2.167 20 30 CEEDHN C=CCC[C@H](O)CN[C@@H](c1cccnc1)C(C)(C)CO ZINC000647953209 395782802 /nfs/dbraw/zinc/78/28/02/395782802.db2.gz YAYUNKWSVPUEKS-GJZGRUSLSA-N 0 3 278.396 2.058 20 30 CEEDHN C=C[C@@H](O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000646666866 396367605 /nfs/dbraw/zinc/36/76/05/396367605.db2.gz KZVCGEKCTSATOF-OAHLLOKOSA-N 0 3 274.364 2.158 20 30 CEEDHN C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@@H](C)N1C ZINC000219279260 400310041 /nfs/dbraw/zinc/31/00/41/400310041.db2.gz BIZMFUICXONBMI-VXGBXAGGSA-N 0 3 261.344 2.222 20 30 CEEDHN CC(C#N)C(=O)NCc1csc(Br)c1 ZINC000306612883 400334852 /nfs/dbraw/zinc/33/48/52/400334852.db2.gz NEYHBKQMVVLKPM-LURJTMIESA-N 0 3 273.155 2.286 20 30 CEEDHN C=C(C)[C@@H](CC(=O)NCCN1CCCC[C@H]1C)OCC ZINC000339423057 400363766 /nfs/dbraw/zinc/36/37/66/400363766.db2.gz ICEDCTULADORGB-HUUCEWRRSA-N 0 3 282.428 2.348 20 30 CEEDHN C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1cccc(C#N)c1 ZINC000360331773 155274351 /nfs/dbraw/zinc/27/43/51/155274351.db2.gz GCVKZYFQCPAZLI-XYPHTWIQSA-N 0 3 297.402 2.357 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000360378675 155286489 /nfs/dbraw/zinc/28/64/89/155286489.db2.gz QXYNSDJFOUCHPZ-CQSZACIVSA-N 0 3 287.407 2.460 20 30 CEEDHN Cn1cc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1C#N ZINC000191448967 153172899 /nfs/dbraw/zinc/17/28/99/153172899.db2.gz DIASQCCYPYGANH-CRAIPNDOSA-N 0 3 298.434 2.345 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCO[C@@H]2C2CC2)cc1F ZINC000364783501 156069186 /nfs/dbraw/zinc/06/91/86/156069186.db2.gz KHYNPPQFKPOCFC-LSDHHAIUSA-N 0 3 260.312 2.354 20 30 CEEDHN N#Cc1cccc(CN[C@H]2Cc3ccccc3[C@H]2O)c1 ZINC000172068010 162398977 /nfs/dbraw/zinc/39/89/77/162398977.db2.gz UZSRYTYZFSUDTR-DLBZAZTESA-N 0 3 264.328 2.306 20 30 CEEDHN CC[C@@H]1CCC[C@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000348156528 287085980 /nfs/dbraw/zinc/08/59/80/287085980.db2.gz DFMQHIZXRINCCU-BPLDGKMQSA-N 0 3 271.364 2.253 20 30 CEEDHN CO[C@@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000170820835 165044141 /nfs/dbraw/zinc/04/41/41/165044141.db2.gz QAINEOLIHNMIBI-GFCCVEGCSA-N 0 3 293.392 2.059 20 30 CEEDHN N#Cc1cccc(CNCc2cccc3nccn32)c1 ZINC000179417774 165279881 /nfs/dbraw/zinc/27/98/81/165279881.db2.gz GTQQLJBUCRUODH-UHFFFAOYSA-N 0 3 262.316 2.496 20 30 CEEDHN CN(CCNC(=O)c1cc(C#N)ccc1Cl)C1CC1 ZINC000285240651 196229380 /nfs/dbraw/zinc/22/93/80/196229380.db2.gz ZMFBSHVZKXLGSF-UHFFFAOYSA-N 0 3 277.755 2.036 20 30 CEEDHN N#Cc1ncn(CCNCc2cc(Cl)cc(Cl)c2)n1 ZINC000285521174 196313259 /nfs/dbraw/zinc/31/32/59/196313259.db2.gz OHKBJFWFWKGNBX-UHFFFAOYSA-N 0 3 296.161 2.246 20 30 CEEDHN CCOC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000040689435 174376673 /nfs/dbraw/zinc/37/66/73/174376673.db2.gz OMZDOBNRYTUXDV-INIZCTEOSA-N 0 3 274.364 2.093 20 30 CEEDHN C=CCC1(NC(=O)C[C@H]2CSCCN2)CCCC1 ZINC000662888009 414789090 /nfs/dbraw/zinc/78/90/90/414789090.db2.gz CBDXUXMCRCFLRK-LBPRGKRZSA-N 0 3 268.426 2.087 20 30 CEEDHN C=CCC1(NC(=O)c2ccc3c(c2)CNC3)CCOCC1 ZINC000662872871 414781233 /nfs/dbraw/zinc/78/12/33/414781233.db2.gz FFUDDWJOMBFWSL-UHFFFAOYSA-N 0 3 286.375 2.145 20 30 CEEDHN C=C[C@@H]1CCCCN1CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000660429410 414816460 /nfs/dbraw/zinc/81/64/60/414816460.db2.gz LUCMQCZKGOBYFM-QLFBSQMISA-N 0 3 252.402 2.136 20 30 CEEDHN C=CCN1CC[C@H](N(C)CCCC2CCC2)C1=O ZINC000660463606 414836588 /nfs/dbraw/zinc/83/65/88/414836588.db2.gz GAFGBZBZERCMEU-AWEZNQCLSA-N 0 3 250.386 2.285 20 30 CEEDHN COCC1(NCC#Cc2ccccc2Cl)CCOCC1 ZINC000660634303 414907844 /nfs/dbraw/zinc/90/78/44/414907844.db2.gz LWDIXCCIIURTMG-UHFFFAOYSA-N 0 3 293.794 2.477 20 30 CEEDHN C=CCOc1ccc(CNCCOCCF)cc1 ZINC000663341309 414922057 /nfs/dbraw/zinc/92/20/57/414922057.db2.gz HBSQPKPGAPNMRO-UHFFFAOYSA-N 0 3 253.317 2.327 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)C2CC2)CC1 ZINC000660703844 414941108 /nfs/dbraw/zinc/94/11/08/414941108.db2.gz IMAARAQNDKLZPS-AWEZNQCLSA-N 0 3 265.401 2.125 20 30 CEEDHN C=CCOCCCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654313004 414901465 /nfs/dbraw/zinc/90/14/65/414901465.db2.gz UFSBBHXATMTQHC-CABCVRRESA-N 0 3 280.412 2.102 20 30 CEEDHN C=C(C)[C@H](CC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)OCC ZINC000654313134 414902262 /nfs/dbraw/zinc/90/22/62/414902262.db2.gz VOULXGYKOKZIKR-PMPSAXMXSA-N 0 3 294.439 2.491 20 30 CEEDHN C=CCCn1cc(CNC[C@@H]2C[C@H]2C2CCC2)nn1 ZINC000657496269 414975566 /nfs/dbraw/zinc/97/55/66/414975566.db2.gz QOQHBXZIPKKKCO-ZFWWWQNUSA-N 0 3 260.385 2.380 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000660886013 415020257 /nfs/dbraw/zinc/02/02/57/415020257.db2.gz CSUYJECYNOZFDH-SQWLQELKSA-N 0 3 291.439 2.467 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000660847243 415004700 /nfs/dbraw/zinc/00/47/00/415004700.db2.gz OHMLXAWEKVWWHT-LSDHHAIUSA-N 0 3 279.428 2.326 20 30 CEEDHN C=CCCn1cc(CNC[C@H]2CCC(F)(F)C2)nn1 ZINC000657455737 414947646 /nfs/dbraw/zinc/94/76/46/414947646.db2.gz SKVYLEHSZHKIJT-NSHDSACASA-N 0 3 270.327 2.379 20 30 CEEDHN C=CCCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000661028495 415070227 /nfs/dbraw/zinc/07/02/27/415070227.db2.gz NNBHULZEXWVXJX-ZBFHGGJFSA-N 0 3 287.407 2.382 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000660890477 415023459 /nfs/dbraw/zinc/02/34/59/415023459.db2.gz VUGNOVMRYSSWOO-ARLBYUKCSA-N 0 3 289.423 2.362 20 30 CEEDHN C=CCOCCCNCc1cnn(C(C)(C)C)c1 ZINC000657658443 415039795 /nfs/dbraw/zinc/03/97/95/415039795.db2.gz YEPIFLPYYDWXEU-UHFFFAOYSA-N 0 3 251.374 2.320 20 30 CEEDHN C=CCN(C[C@@H](O)COc1ccccc1F)[C@@H](C)COC ZINC000661249057 415157006 /nfs/dbraw/zinc/15/70/06/415157006.db2.gz YNMMLYHWYANPIL-UONOGXRCSA-N 0 3 297.370 2.088 20 30 CEEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)NC[C@H](C)N(C)C ZINC000661275758 415174421 /nfs/dbraw/zinc/17/44/21/415174421.db2.gz ROLKLGDUULBDIY-MELADBBJSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CC[C@H]1CCCN(C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000661383430 415236183 /nfs/dbraw/zinc/23/61/83/415236183.db2.gz CVJXEPYDOZUVCX-UONOGXRCSA-N 0 3 271.426 2.099 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661402997 415242267 /nfs/dbraw/zinc/24/22/67/415242267.db2.gz ITLMUARNFNQLQO-GFCCVEGCSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CC[C@@H]1CCCN(CC(=O)N[C@H](C)C(C)C)C1 ZINC000661377270 415230851 /nfs/dbraw/zinc/23/08/51/415230851.db2.gz MHPKDGAVTZQYET-ZIAGYGMSSA-N 0 3 252.402 2.435 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000661504265 415300237 /nfs/dbraw/zinc/30/02/37/415300237.db2.gz CUDJQUZWIAXJIY-CYBMUJFWSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCC1(NCc2nnnn2CC(F)(F)F)CCCC1 ZINC000661850576 415498748 /nfs/dbraw/zinc/49/87/48/415498748.db2.gz KHYGLKPYGRVCIQ-UHFFFAOYSA-N 0 3 289.305 2.214 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)N[C@H]2CCN(CCC)C2)C1 ZINC000661945242 415532332 /nfs/dbraw/zinc/53/23/32/415532332.db2.gz BRKYNUZBEDWNSC-GJZGRUSLSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000665023783 415554399 /nfs/dbraw/zinc/55/43/99/415554399.db2.gz JPEVQQKQTWVQFZ-ZDUSSCGKSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCC[C@H](O)CN1CC2(CCCC2)OC[C@@H]1C ZINC000661982590 415557811 /nfs/dbraw/zinc/55/78/11/415557811.db2.gz QCASMVAPBLJCFW-KBPBESRZSA-N 0 3 253.386 2.347 20 30 CEEDHN C=CCC[C@H](O)CN1CCC(c2ccon2)CC1 ZINC000662047711 415600231 /nfs/dbraw/zinc/60/02/31/415600231.db2.gz NQYNUQGWQPCMIA-ZDUSSCGKSA-N 0 3 250.342 2.181 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](C2CCC2)C1 ZINC000665284612 415676012 /nfs/dbraw/zinc/67/60/12/415676012.db2.gz OTAAMLKPICBZRK-OAHLLOKOSA-N 0 3 262.397 2.309 20 30 CEEDHN C=CCN(Cc1ccccc1F)C[C@@H]1CCC2(CNC2)O1 ZINC000662253746 415716675 /nfs/dbraw/zinc/71/66/75/415716675.db2.gz WCAUQMOVBZKLSK-HNNXBMFYSA-N 0 3 290.382 2.335 20 30 CEEDHN C=CCCCN(C)C(=O)NC[C@@H]1CCCCN1CC ZINC000076974299 177136690 /nfs/dbraw/zinc/13/66/90/177136690.db2.gz SONPHIYFYOWIDX-AWEZNQCLSA-N 0 3 267.417 2.468 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(CC)C1CCCC1 ZINC000077026711 177154847 /nfs/dbraw/zinc/15/48/47/177154847.db2.gz GBCYEAYLCSUTMA-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN COc1ccc(CNC(=O)C(C)C#N)cc1OC(F)F ZINC000347060522 226009028 /nfs/dbraw/zinc/00/90/28/226009028.db2.gz CXDNQVNZCLOBOI-MRVPVSSYSA-N 0 3 284.262 2.072 20 30 CEEDHN Cc1c(Cl)cccc1NC(=O)CCNC(=O)C(C)C#N ZINC000347139576 226057027 /nfs/dbraw/zinc/05/70/27/226057027.db2.gz SALFGROTCUBQRJ-VIFPVBQESA-N 0 3 293.754 2.253 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@](F)(c2ccccc2F)C1 ZINC000336363297 226936544 /nfs/dbraw/zinc/93/65/44/226936544.db2.gz VPOUAWIKZCKDSC-QMTHXVAHSA-N 0 3 264.275 2.382 20 30 CEEDHN N#CC(C(=O)c1ccc(-n2ccnc2)cc1)c1ccncn1 ZINC000354478512 227011586 /nfs/dbraw/zinc/01/15/86/227011586.db2.gz VEYSYYNYAMDJRS-AWEZNQCLSA-N 0 3 289.298 2.152 20 30 CEEDHN N#CCCCCN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352675034 227154676 /nfs/dbraw/zinc/15/46/76/227154676.db2.gz CSIVCANGLGMOOJ-WDEREUQCSA-N 0 3 264.291 2.173 20 30 CEEDHN O=C(NC1CCC(F)(F)CC1)N[C@H]1CCn2ccnc2C1 ZINC000330177186 228056181 /nfs/dbraw/zinc/05/61/81/228056181.db2.gz CVJWVSHNJVVVMG-NSHDSACASA-N 0 3 298.337 2.279 20 30 CEEDHN O=C(NCCc1ccon1)C1CCN(C2CC2)CC1 ZINC000330211464 228067587 /nfs/dbraw/zinc/06/75/87/228067587.db2.gz CZEVFFFYKPGIFP-UHFFFAOYSA-N 0 3 263.341 2.048 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1Cl)c1ccncn1 ZINC000352321850 228219877 /nfs/dbraw/zinc/21/98/77/228219877.db2.gz CPYJRWSNZAYPEG-SECBINFHSA-N 0 3 272.695 2.376 20 30 CEEDHN C=CCCC(C)(C)NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000666239193 419597439 /nfs/dbraw/zinc/59/74/39/419597439.db2.gz SNYRIKQAERVEBV-UHFFFAOYSA-N 0 3 293.415 2.311 20 30 CEEDHN COc1cc(CN[C@]23C[C@H]2COC3(C)C)ccc1C#N ZINC000527767988 269769924 /nfs/dbraw/zinc/76/99/24/269769924.db2.gz ZDVURIFZGVCFMV-XJKSGUPXSA-N 0 3 272.348 2.224 20 30 CEEDHN CC(C)(C)OC(=O)[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000407990731 260154116 /nfs/dbraw/zinc/15/41/16/260154116.db2.gz OWJWKHWRKHOWRR-XQQFMLRXSA-N 0 3 264.369 2.342 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CCCN1C ZINC000299265361 260178184 /nfs/dbraw/zinc/17/81/84/260178184.db2.gz XPWMMKHHTNRLMM-MRXNPFEDSA-N 0 3 287.407 2.478 20 30 CEEDHN C#CCN1CCC(C(=O)NCc2cc3ccccc3[nH]2)CC1 ZINC000299380339 260185154 /nfs/dbraw/zinc/18/51/54/260185154.db2.gz MNKLOYNQPGZRSP-UHFFFAOYSA-N 0 3 295.386 2.129 20 30 CEEDHN C[C@@H]1CC(C)(C)C[C@](CO)(NCC2(C#N)CC2)C1 ZINC000408111041 260236173 /nfs/dbraw/zinc/23/61/73/260236173.db2.gz YQZLDGBGJKSBOQ-IUODEOHRSA-N 0 3 250.386 2.457 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](Cc2ccccc2)C1 ZINC000124112325 260744165 /nfs/dbraw/zinc/74/41/65/260744165.db2.gz JBWOLPOCPQNFDZ-KRWDZBQOSA-N 0 3 299.418 2.313 20 30 CEEDHN Cc1c(CNCc2ccc(N(C)CCC#N)cc2)cnn1C ZINC000156620738 261127200 /nfs/dbraw/zinc/12/72/00/261127200.db2.gz KLVDBQOYGDVNIZ-UHFFFAOYSA-N 0 3 297.406 2.368 20 30 CEEDHN C=CCCCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000448383008 261136125 /nfs/dbraw/zinc/13/61/25/261136125.db2.gz HLAFRXUTJFHHOV-UHFFFAOYSA-N 0 3 267.417 2.468 20 30 CEEDHN C#C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C(C)C ZINC000490635464 261174145 /nfs/dbraw/zinc/17/41/45/261174145.db2.gz HJYIGODOJVQGPP-KBPBESRZSA-N 0 3 250.386 2.025 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CCc2ccoc2)CC1 ZINC000175385944 261225215 /nfs/dbraw/zinc/22/52/15/261225215.db2.gz QRGRTRWSJLYFAM-UHFFFAOYSA-N 0 3 276.380 2.369 20 30 CEEDHN C=C(CN(C)C)C(=O)Oc1ccc(NC(=O)OCC)cc1 ZINC000497170364 262025724 /nfs/dbraw/zinc/02/57/24/262025724.db2.gz XAOKMGRKCLWMAV-UHFFFAOYSA-N 0 3 292.335 2.278 20 30 CEEDHN CC[C@@H](O)CCNC1CC(C#N)(c2ccccc2)C1 ZINC000119248670 262154154 /nfs/dbraw/zinc/15/41/54/262154154.db2.gz JLOZMALSLZRBLH-HWOWSKLDSA-N 0 3 258.365 2.361 20 30 CEEDHN C[C@H](NCCc1cccc(C#N)c1)c1ccncn1 ZINC000453211068 269878434 /nfs/dbraw/zinc/87/84/34/269878434.db2.gz KSBGNYXTNBEJGZ-LBPRGKRZSA-N 0 3 252.321 2.242 20 30 CEEDHN C[C@@H]1CCNC(=O)[C@H]1NCc1ccccc1C(C)(C)C#N ZINC000193637442 262225161 /nfs/dbraw/zinc/22/51/61/262225161.db2.gz HXLQRHOBQNOGAN-DOMZBBRYSA-N 0 3 285.391 2.102 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H]1C1CCC1 ZINC000365111471 262279334 /nfs/dbraw/zinc/27/93/34/262279334.db2.gz WGKAKAWIFLMNRA-GOEBONIOSA-N 0 3 277.412 2.305 20 30 CEEDHN C=CCOc1cccc(CN2CCN(CC)CC2)c1 ZINC000171926427 335085311 /nfs/dbraw/zinc/08/53/11/335085311.db2.gz BSICNUXTCLNVQT-UHFFFAOYSA-N 0 3 260.381 2.389 20 30 CEEDHN N#CCSCCCN1CCC[C@@](O)(C(F)(F)F)C1 ZINC000336699128 262381142 /nfs/dbraw/zinc/38/11/42/262381142.db2.gz FBRCXDYLZYFFPZ-JTQLQIEISA-N 0 3 282.331 2.022 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)C12CCCN1CCC2 ZINC000365641640 262391525 /nfs/dbraw/zinc/39/15/25/262391525.db2.gz GFMGOVCALPGJNI-ZDUSSCGKSA-N 0 3 250.386 2.476 20 30 CEEDHN CC(C)(C#N)CCCCN1CC[C@@H](N2CCCC2=O)C1 ZINC000336828079 262398384 /nfs/dbraw/zinc/39/83/84/262398384.db2.gz SJPLZWZOBMNTDW-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN C[C@H](C#N)CN(C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000339552957 262650533 /nfs/dbraw/zinc/65/05/33/262650533.db2.gz HAOFSIGZQIOUAH-CYBMUJFWSA-N 0 3 288.395 2.049 20 30 CEEDHN CC1(C#N)CCN(C[C@@H](O)COCc2cccs2)CC1 ZINC000272475392 263004999 /nfs/dbraw/zinc/00/49/99/263004999.db2.gz AIYBSZWJWBJIQE-CYBMUJFWSA-N 0 3 294.420 2.251 20 30 CEEDHN CC1(C#N)CCN(C[C@H](O)Cc2ccccc2)CC1 ZINC000272615257 263007527 /nfs/dbraw/zinc/00/75/27/263007527.db2.gz SZCUBPBEIGXVLT-OAHLLOKOSA-N 0 3 258.365 2.216 20 30 CEEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCCC#N ZINC000273620015 263018534 /nfs/dbraw/zinc/01/85/34/263018534.db2.gz VQNDTMIRGRWFND-AWEZNQCLSA-N 0 3 288.395 2.110 20 30 CEEDHN C=CCOc1cccc(CN2CCNC[C@@](C)(F)C2)c1 ZINC000414769331 263041909 /nfs/dbraw/zinc/04/19/09/263041909.db2.gz NGNHHFOQEIRONG-MRXNPFEDSA-N 0 3 278.371 2.385 20 30 CEEDHN CC(=O)Nc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cn1 ZINC000279000735 263052459 /nfs/dbraw/zinc/05/24/59/263052459.db2.gz FUVQXXZVJODUIS-TZMCWYRMSA-N 0 3 272.352 2.212 20 30 CEEDHN CN(CC1CC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279288110 263054264 /nfs/dbraw/zinc/05/42/64/263054264.db2.gz KTZSTRKBMOORFO-OAHLLOKOSA-N 0 3 267.332 2.109 20 30 CEEDHN CSC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280323851 263060385 /nfs/dbraw/zinc/06/03/85/263060385.db2.gz GWQCVLACRXSCRZ-SMDDNHRTSA-N 0 3 287.388 2.108 20 30 CEEDHN CC1=CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281526601 263069850 /nfs/dbraw/zinc/06/98/50/263069850.db2.gz JMTQUBPBFAMMQB-MRXNPFEDSA-N 0 3 279.343 2.419 20 30 CEEDHN N#CCOc1ccc(CN2CC[C@@H](n3cccn3)C2)cc1 ZINC000291788299 263125484 /nfs/dbraw/zinc/12/54/84/263125484.db2.gz MPJSHEREAJSCBY-OAHLLOKOSA-N 0 3 282.347 2.232 20 30 CEEDHN N#CCOc1ccc(CN2CC[C@H](n3cccn3)C2)cc1 ZINC000291788298 263125579 /nfs/dbraw/zinc/12/55/79/263125579.db2.gz MPJSHEREAJSCBY-HNNXBMFYSA-N 0 3 282.347 2.232 20 30 CEEDHN C=CCC[C@H](NC[C@@H]1CC[C@H](CO)O1)c1ccco1 ZINC000340413616 263137457 /nfs/dbraw/zinc/13/74/57/263137457.db2.gz QFNKNDACGAGCGM-MJBXVCDLSA-N 0 3 265.353 2.416 20 30 CEEDHN N#CCCOCCN1CCC[C@H](Nc2ccccc2)C1 ZINC000293687767 263147232 /nfs/dbraw/zinc/14/72/32/263147232.db2.gz BODMTMOUSDZCQC-INIZCTEOSA-N 0 3 273.380 2.493 20 30 CEEDHN Cn1ncc(Br)c1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000295143006 263173495 /nfs/dbraw/zinc/17/34/95/263173495.db2.gz ZWTUECATYLBPAF-UWVGGRQHSA-N 0 3 297.200 2.355 20 30 CEEDHN N#CC1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000297555919 263206403 /nfs/dbraw/zinc/20/64/03/263206403.db2.gz BZNXCCLMJLLCDY-QGZVFWFLSA-N 0 3 269.392 2.496 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000341069074 263321258 /nfs/dbraw/zinc/32/12/58/263321258.db2.gz NRLALHTXZCEZCB-ZNMIVQPWSA-N 0 3 282.428 2.347 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000341191659 263329162 /nfs/dbraw/zinc/32/91/62/263329162.db2.gz FUHOWBNGMDSIRZ-CHWSQXEVSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000341461205 263336846 /nfs/dbraw/zinc/33/68/46/263336846.db2.gz ITZRQTAWZDONIZ-UONOGXRCSA-N 0 3 267.417 2.324 20 30 CEEDHN CC(C)(C)C[C@@H](NCC(=O)NCC#N)c1ccccc1 ZINC000341587927 263344006 /nfs/dbraw/zinc/34/40/06/263344006.db2.gz DTLPQLKUPHIDAB-CQSZACIVSA-N 0 3 273.380 2.393 20 30 CEEDHN COCC1(C#N)CCN(C[C@H]2CCC(C)(C)O2)CC1 ZINC000341996095 263374137 /nfs/dbraw/zinc/37/41/37/263374137.db2.gz RYOZAHVUONSAJI-CYBMUJFWSA-N 0 3 266.385 2.196 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000342010814 263377666 /nfs/dbraw/zinc/37/76/66/263377666.db2.gz LXCTYMBXAZNSHF-SGMGOOAPSA-N 0 3 250.386 2.188 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@]2(C1)CCCOC2 ZINC000341985947 263381163 /nfs/dbraw/zinc/38/11/63/263381163.db2.gz YCNCGQXWQMLAOR-RDJZCZTQSA-N 0 3 292.423 2.078 20 30 CEEDHN CCn1nccc1NC(=O)N[C@H](C)CN1CCCCC1 ZINC000330694716 264004734 /nfs/dbraw/zinc/00/47/34/264004734.db2.gz TUQIWOXHSRZVBP-GFCCVEGCSA-N 0 3 279.388 2.103 20 30 CEEDHN CC(=O)NC[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000330864650 264057170 /nfs/dbraw/zinc/05/71/70/264057170.db2.gz YMHJPNNLKISUBT-QGZVFWFLSA-N 0 3 285.391 2.101 20 30 CEEDHN COc1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c(OC)c1 ZINC000330891669 264077138 /nfs/dbraw/zinc/07/71/38/264077138.db2.gz CXAOEOMPWALYHG-VXGBXAGGSA-N 0 3 292.379 2.491 20 30 CEEDHN CC(C)N(C[C@H](C)O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000330943071 264084459 /nfs/dbraw/zinc/08/44/59/264084459.db2.gz DEINQOYXALLBAK-ILXRZTDVSA-N 0 3 299.459 2.112 20 30 CEEDHN CC1(C)CN(C(=O)C[C@@H](CC#N)c2ccccc2)CCN1 ZINC000331069921 264112597 /nfs/dbraw/zinc/11/25/97/264112597.db2.gz RUTHCJDBVFEAJU-OAHLLOKOSA-N 0 3 285.391 2.284 20 30 CEEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)[C@@H](C)CO1 ZINC000331173460 264147380 /nfs/dbraw/zinc/14/73/80/264147380.db2.gz DNMCYNYRFMOSDU-LZWOXQAQSA-N 0 3 286.375 2.395 20 30 CEEDHN CO[C@H]1CCCC[C@@H]1NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000331267710 264167912 /nfs/dbraw/zinc/16/79/12/264167912.db2.gz JUIPVMFNVHSWMJ-ILXRZTDVSA-N 0 3 297.443 2.180 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000424933892 264383972 /nfs/dbraw/zinc/38/39/72/264383972.db2.gz SFHHXSDVARBKOF-HOTGVXAUSA-N 0 3 288.391 2.069 20 30 CEEDHN C=CCNC(=O)CN[C@@H](Cc1ccccc1C)C1CC1 ZINC000284249581 264525589 /nfs/dbraw/zinc/52/55/89/264525589.db2.gz ILHZWGCFNPAYDU-INIZCTEOSA-N 0 3 272.392 2.208 20 30 CEEDHN C=CCC[C@H](CO)NCc1cnc(C(C)(C)C)nc1 ZINC000320784560 265034435 /nfs/dbraw/zinc/03/44/35/265034435.db2.gz RZDSVXMWACIBMZ-CYBMUJFWSA-N 0 3 263.385 2.191 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000356291592 266088263 /nfs/dbraw/zinc/08/82/63/266088263.db2.gz FBWQHAVFBMWJDO-SJORKVTESA-N 0 3 294.439 2.160 20 30 CEEDHN C=CCCC1(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)CC1 ZINC000356532690 266131792 /nfs/dbraw/zinc/13/17/92/266131792.db2.gz LUUFDUXJNILJRC-CHWSQXEVSA-N 0 3 282.453 2.237 20 30 CEEDHN CN1CC=C(CNC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000356680419 266158548 /nfs/dbraw/zinc/15/85/48/266158548.db2.gz RUIGHFOGXTYRRW-KRWDZBQOSA-N 0 3 297.402 2.452 20 30 CEEDHN C=C(C)CS(=O)(=O)NC[C@H](CC(C)C)N(CC)CC ZINC000357432280 266294237 /nfs/dbraw/zinc/29/42/37/266294237.db2.gz DQKXBCRVQDBHPC-AWEZNQCLSA-N 0 3 290.473 2.238 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCCCCF)CC1 ZINC000361497915 266835469 /nfs/dbraw/zinc/83/54/69/266835469.db2.gz GRDAAGOHQXJTQB-UHFFFAOYSA-N 0 3 271.380 2.076 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000362628649 267026718 /nfs/dbraw/zinc/02/67/18/267026718.db2.gz VWIWMTJHGOQQES-ZNMIVQPWSA-N 0 3 282.428 2.060 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N1CCCN(CCC)CC1)OCC ZINC000362775445 267044157 /nfs/dbraw/zinc/04/41/57/267044157.db2.gz CNFYYDQXPQHGLT-OAHLLOKOSA-N 0 3 282.428 2.302 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000362803408 267048404 /nfs/dbraw/zinc/04/84/04/267048404.db2.gz ZFWOJLLAKVMYGL-VGWMRTNUSA-N 0 3 294.439 2.347 20 30 CEEDHN CCN(CC(=O)NCc1cccc(C#N)c1)C1CCC1 ZINC000523441548 267054745 /nfs/dbraw/zinc/05/47/45/267054745.db2.gz YTUTZPUEWBAOTH-UHFFFAOYSA-N 0 3 271.364 2.049 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@@H]1CCCCC ZINC000362948670 267066085 /nfs/dbraw/zinc/06/60/85/267066085.db2.gz JTWVFLQKXIIHTK-ZDUSSCGKSA-N 0 3 281.400 2.043 20 30 CEEDHN CCN(C[C@H]1CN(C)C(=O)O1)[C@H](C)c1ccc(C#N)cc1 ZINC000496955910 267069920 /nfs/dbraw/zinc/06/99/20/267069920.db2.gz JNNKDJFMKHPDOV-IUODEOHRSA-N 0 3 287.363 2.392 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(C)c2)[C@H]1OC ZINC000446759561 267150746 /nfs/dbraw/zinc/15/07/46/267150746.db2.gz GTWXCTLFQFNLDL-BZUAXINKSA-N 0 3 274.364 2.149 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000368368072 267166511 /nfs/dbraw/zinc/16/65/11/267166511.db2.gz YSMFQMDOPKJGHL-VNQPRFMTSA-N 0 3 293.432 2.369 20 30 CEEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H](O)C(F)F ZINC000421379452 267195134 /nfs/dbraw/zinc/19/51/34/267195134.db2.gz IWUPGGIEGRDEPY-VXGBXAGGSA-N 0 3 272.270 2.192 20 30 CEEDHN CC[C@H](CN(C)CCOCc1ccc(C#N)cc1)OC ZINC000419288613 267210718 /nfs/dbraw/zinc/21/07/18/267210718.db2.gz XFNNAIXDECRXGF-MRXNPFEDSA-N 0 3 276.380 2.432 20 30 CEEDHN CC[C@H](NCCn1cccn1)c1ccc(C#N)cc1 ZINC000447587937 267221367 /nfs/dbraw/zinc/22/13/67/267221367.db2.gz SSICYCABHZCDBU-HNNXBMFYSA-N 0 3 254.337 2.496 20 30 CEEDHN 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329743665 /nfs/dbraw/zinc/74/36/65/329743665.db2.gz WKYDEPXISVLEIU-RFGFWPKPSA-N 0 3 265.401 2.256 20 30 CEEDHN C[C@@H](C(=O)N(CCC#N)CC1CC1)N1CCCCCC1 ZINC000074253920 329863824 /nfs/dbraw/zinc/86/38/24/329863824.db2.gz SHXVMLDHIZYWDW-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN C=C1CCN(CCC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000264441705 330061446 /nfs/dbraw/zinc/06/14/46/330061446.db2.gz GAHVDWSQCZKSPZ-UHFFFAOYSA-N 0 3 287.363 2.377 20 30 CEEDHN C=CCC[C@H](O)CN(C)[C@H](CCO)c1ccccc1 ZINC000268606980 330066300 /nfs/dbraw/zinc/06/63/00/330066300.db2.gz YUGVBZYHUGLCCG-JKSUJKDBSA-N 0 3 263.381 2.369 20 30 CEEDHN C=CCCOCCCCC(=O)N(C)C[C@H]1CCCN1C ZINC000421710702 330069399 /nfs/dbraw/zinc/06/93/99/330069399.db2.gz LXBOSZKNMSXXKY-OAHLLOKOSA-N 0 3 282.428 2.302 20 30 CEEDHN C=CCCOCCCCC(=O)N(C)C[C@@H]1CCCN1C ZINC000421710701 330069402 /nfs/dbraw/zinc/06/94/02/330069402.db2.gz LXBOSZKNMSXXKY-HNNXBMFYSA-N 0 3 282.428 2.302 20 30 CEEDHN CCN(CCC#N)C(=O)CN(CC)C1CCCC1 ZINC000080000527 330084675 /nfs/dbraw/zinc/08/46/75/330084675.db2.gz RXLRMGQFYOQSPY-UHFFFAOYSA-N 0 3 251.374 2.013 20 30 CEEDHN C#CCN(CC)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000274206236 330104297 /nfs/dbraw/zinc/10/42/97/330104297.db2.gz MFOIVLJIUJEYPQ-NVXWUHKLSA-N 0 3 299.418 2.172 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](C)CC(=O)N(C)C)cc1 ZINC000287761902 330110585 /nfs/dbraw/zinc/11/05/85/330110585.db2.gz ZWCKPUPGHDFQMD-ZDUSSCGKSA-N 0 3 276.380 2.208 20 30 CEEDHN C=CCS(=O)(=O)CCNCC[C@H](C)c1ccccc1 ZINC000278538173 330117291 /nfs/dbraw/zinc/11/72/91/330117291.db2.gz WQXPFZNFUOKCQY-AWEZNQCLSA-N 0 3 281.421 2.371 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1cccs1 ZINC000424065397 330219131 /nfs/dbraw/zinc/21/91/31/330219131.db2.gz LFMMWXGAEQJSDF-NEPJUHHUSA-N 0 3 277.393 2.433 20 30 CEEDHN CC1CCC(N(C)C(=O)[C@H](N)CCCC#N)CC1 ZINC000424067642 330219524 /nfs/dbraw/zinc/21/95/24/330219524.db2.gz QBWVXKLPZHIJPF-WXRRBKDZSA-N 0 3 251.374 2.045 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000424068463 330219534 /nfs/dbraw/zinc/21/95/34/330219534.db2.gz ZFOWFBKZOOYLBJ-XQLPTFJDSA-N 0 3 277.412 2.483 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCCCSc1ccccc1 ZINC000424074808 330220444 /nfs/dbraw/zinc/22/04/44/330220444.db2.gz IHBNVRVWHGZTAA-AWEZNQCLSA-N 0 3 291.420 2.306 20 30 CEEDHN CC(C)Oc1ccccc1CNC(=O)[C@@H](N)CCCC#N ZINC000424078150 330221206 /nfs/dbraw/zinc/22/12/06/330221206.db2.gz DAFNDGNZGOPJBV-AWEZNQCLSA-N 0 3 289.379 2.111 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCc1c(F)cccc1Cl ZINC000424081350 330222039 /nfs/dbraw/zinc/22/20/39/330222039.db2.gz JSEAQLNNIKXMEU-GFCCVEGCSA-N 0 3 283.734 2.116 20 30 CEEDHN COc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1Cl ZINC000424080912 330222105 /nfs/dbraw/zinc/22/21/05/330222105.db2.gz UHTNCGCXDBJBCP-NSHDSACASA-N 0 3 281.743 2.308 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCc1ccccc1C(F)(F)F ZINC000424082936 330222268 /nfs/dbraw/zinc/22/22/68/330222268.db2.gz MCKRFQNVALTVSG-LBPRGKRZSA-N 0 3 299.296 2.343 20 30 CEEDHN COc1c(C)ccc(NC(=O)[C@H](N)CCCC#N)c1C ZINC000424088663 330224455 /nfs/dbraw/zinc/22/44/55/330224455.db2.gz JRFPVASJRGNCGR-GFCCVEGCSA-N 0 3 275.352 2.272 20 30 CEEDHN CC(C)c1ccc(CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424098417 330230090 /nfs/dbraw/zinc/23/00/90/330230090.db2.gz KUUYTXZVQKJORY-OAHLLOKOSA-N 0 3 273.380 2.447 20 30 CEEDHN C=CCOc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424106329 330234277 /nfs/dbraw/zinc/23/42/77/330234277.db2.gz SCFFGZOCVKIHPC-AWEZNQCLSA-N 0 3 273.336 2.211 20 30 CEEDHN CC(C)(C)[C@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424115705 330243376 /nfs/dbraw/zinc/24/33/76/330243376.db2.gz VKZWRABULMYTIJ-NWDGAFQWSA-N 0 3 251.374 2.045 20 30 CEEDHN CN(C(=O)[C@@H](N)CCCC#N)C1CCC(C)(C)CC1 ZINC000424115681 330243404 /nfs/dbraw/zinc/24/34/04/330243404.db2.gz AWJLCGMBKBWWOG-ZDUSSCGKSA-N 0 3 265.401 2.435 20 30 CEEDHN CCC[C@@]1(C)CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424118224 330244011 /nfs/dbraw/zinc/24/40/11/330244011.db2.gz CZCHNTRSVIPJHB-HIFRSBDPSA-N 0 3 265.401 2.436 20 30 CEEDHN Cc1nc2ccc(NC(=O)[C@H](N)CCCC#N)cc2o1 ZINC000424126320 330258916 /nfs/dbraw/zinc/25/89/16/330258916.db2.gz BJKMWTMBSWWBFK-LLVKDONJSA-N 0 3 272.308 2.096 20 30 CEEDHN Cc1ccc(C[C@H](C)N(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000424126978 330259364 /nfs/dbraw/zinc/25/93/64/330259364.db2.gz PLKKOQNWAHXGHV-GOEBONIOSA-N 0 3 287.407 2.406 20 30 CEEDHN CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H](N)CCCC#N ZINC000424127832 330259579 /nfs/dbraw/zinc/25/95/79/330259579.db2.gz QVSKBPGZWFSAIH-MGPQQGTHSA-N 0 3 265.401 2.435 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1cnc2ccccc2c1 ZINC000424130768 330261932 /nfs/dbraw/zinc/26/19/32/330261932.db2.gz HUNAYBOJRSHMND-CYBMUJFWSA-N 0 3 268.320 2.194 20 30 CEEDHN CC(C)(CNC(=O)[C@@H](N)CCCC#N)Cc1ccccc1 ZINC000424131425 330262455 /nfs/dbraw/zinc/26/24/55/330262455.db2.gz VBLSDORHYQDAPB-HNNXBMFYSA-N 0 3 287.407 2.393 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2ncccc2c1 ZINC000424142521 330284658 /nfs/dbraw/zinc/28/46/58/330284658.db2.gz YJZNYUDJTYZFNA-ZDUSSCGKSA-N 0 3 268.320 2.194 20 30 CEEDHN CCC(CC)(CC)CNC(=O)[C@H](N)CCCC#N ZINC000424144733 330290031 /nfs/dbraw/zinc/29/00/31/330290031.db2.gz XYBOVZTYIQMQMJ-GFCCVEGCSA-N 0 3 253.390 2.340 20 30 CEEDHN CCC1(CC)CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424145894 330291550 /nfs/dbraw/zinc/29/15/50/330291550.db2.gz VRAXPXBPPVVZMN-GFCCVEGCSA-N 0 3 251.374 2.046 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NC[C@H](n2cccn2)C(F)(F)F)C1 ZINC000527935442 330297901 /nfs/dbraw/zinc/29/79/01/330297901.db2.gz VPCBPPYOMJOTIQ-MXWKQRLJSA-N 0 3 272.274 2.268 20 30 CEEDHN CCOc1ccccc1N(C)C(=O)[C@@H](N)CCCC#N ZINC000424167013 330309467 /nfs/dbraw/zinc/30/94/67/330309467.db2.gz DEWMCQPBIJGHMZ-LBPRGKRZSA-N 0 3 275.352 2.069 20 30 CEEDHN C=CCn1cc(CN[C@H]2CCc3ccc(OC)cc3C2)nn1 ZINC000424169259 330310649 /nfs/dbraw/zinc/31/06/49/330310649.db2.gz HSLUHRDIXWTRMB-HNNXBMFYSA-N 0 3 298.390 2.120 20 30 CEEDHN C[C@@H]1CCC[C@H](NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424180868 330319022 /nfs/dbraw/zinc/31/90/22/330319022.db2.gz PTBUANLRLJNBEO-AGIUHOORSA-N 0 3 251.374 2.093 20 30 CEEDHN Cc1cc(CNC(=O)[C@@H](N)CCCC#N)ccc1Cl ZINC000424171836 330311767 /nfs/dbraw/zinc/31/17/67/330311767.db2.gz JSHDIIAROGQNJR-ZDUSSCGKSA-N 0 3 279.771 2.286 20 30 CEEDHN C#CCN(C)CCCNc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000328119357 330315373 /nfs/dbraw/zinc/31/53/73/330315373.db2.gz QJEJFJNGSWZYDJ-UHFFFAOYSA-N 0 3 291.351 2.361 20 30 CEEDHN COc1cc(C)c(NC(=O)[C@H](N)CCCC#N)cc1F ZINC000424176416 330316514 /nfs/dbraw/zinc/31/65/14/330316514.db2.gz XPMBIUGMPXEJEU-LLVKDONJSA-N 0 3 279.315 2.102 20 30 CEEDHN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424176704 330316865 /nfs/dbraw/zinc/31/68/65/330316865.db2.gz SLXKVQLPTAUCJN-UHOFOFEASA-N 0 3 285.391 2.447 20 30 CEEDHN C[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)c2c(O)cccc21 ZINC000424185096 330320276 /nfs/dbraw/zinc/32/02/76/330320276.db2.gz FHRHLJVRVTZUCQ-DGCLKSJQSA-N 0 3 287.363 2.254 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1c(F)cccc1NC1CC1 ZINC000424185563 330320814 /nfs/dbraw/zinc/32/08/14/330320814.db2.gz FXADFDNVRMXXDW-LBPRGKRZSA-N 0 3 290.342 2.360 20 30 CEEDHN CC(C)Oc1ccc(N(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000424192632 330323856 /nfs/dbraw/zinc/32/38/56/330323856.db2.gz TWGWNDFSEVASFC-OAHLLOKOSA-N 0 3 289.379 2.458 20 30 CEEDHN CC(C)N(CC1CCC1)C(=O)[C@H](N)CCCC#N ZINC000424193066 330324141 /nfs/dbraw/zinc/32/41/41/330324141.db2.gz UWZMZXFDKARANV-CYBMUJFWSA-N 0 3 251.374 2.045 20 30 CEEDHN C=CCn1cc(CN[C@@H](C)C2CCSCC2)nn1 ZINC000424291513 330334928 /nfs/dbraw/zinc/33/49/28/330334928.db2.gz DOLLCNZYYXYGRP-NSHDSACASA-N 0 3 266.414 2.085 20 30 CEEDHN C[C@@H](CCCO)NC(=O)C(C#N)CCc1ccccc1 ZINC000433386489 330350236 /nfs/dbraw/zinc/35/02/36/330350236.db2.gz OUYMJKBPOKNAOY-DZGCQCFKSA-N 0 3 274.364 2.036 20 30 CEEDHN C=CCOc1cccc(CNC(C)(C)C(=O)N(C)C)c1 ZINC000108422907 330354650 /nfs/dbraw/zinc/35/46/50/330354650.db2.gz NKUSNHPTGXPXHW-UHFFFAOYSA-N 0 3 276.380 2.208 20 30 CEEDHN C=CC[C@@H](CO)CNCc1ccnn1-c1ccccc1 ZINC000447895039 330879342 /nfs/dbraw/zinc/87/93/42/330879342.db2.gz AEXAPINTTNSPEV-CQSZACIVSA-N 0 3 271.364 2.147 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC000448921180 330888331 /nfs/dbraw/zinc/88/83/31/330888331.db2.gz LFLUUHMYFJSVDP-IPYPFGDCSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2cc(C)ccc2F)CC1 ZINC000448923033 330888484 /nfs/dbraw/zinc/88/84/84/330888484.db2.gz SUADSERRDCCCBF-UHFFFAOYSA-N 0 3 290.382 2.443 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC1=Cc2ccccc2OC1 ZINC000449516367 330932829 /nfs/dbraw/zinc/93/28/29/330932829.db2.gz ADQIOCHTNNEVSU-CABCVRRESA-N 0 3 257.333 2.396 20 30 CEEDHN C=CCC[C@H](CO)NCc1cnc2cc(C)ccn12 ZINC000449698412 330944559 /nfs/dbraw/zinc/94/45/59/330944559.db2.gz NKJRQHUABQRNQZ-CYBMUJFWSA-N 0 3 259.353 2.059 20 30 CEEDHN C=CC(C)(C)C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000450299836 330971606 /nfs/dbraw/zinc/97/16/06/330971606.db2.gz QXLYRKHMYGOEJI-UHFFFAOYSA-N 0 3 277.368 2.173 20 30 CEEDHN N#CCC[C@H](C#N)CN1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451334215 331024697 /nfs/dbraw/zinc/02/46/97/331024697.db2.gz BKZKIFQJIWVHRA-QKPAOTATSA-N 0 3 275.396 2.445 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1C[C@H](OCC)C12CCC2 ZINC000451473578 331030850 /nfs/dbraw/zinc/03/08/50/331030850.db2.gz OQGNPTNRWXSBBD-CABCVRRESA-N 0 3 294.439 2.348 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000451679352 331038810 /nfs/dbraw/zinc/03/88/10/331038810.db2.gz JQPHIFBBIUJBLO-TUVASFSCSA-N 0 3 280.412 2.099 20 30 CEEDHN C[C@H]1CN(CCCCC#N)CCN(CC(F)(F)F)C1 ZINC000451875715 331045788 /nfs/dbraw/zinc/04/57/88/331045788.db2.gz WEHMYMBESIELON-LBPRGKRZSA-N 0 3 277.334 2.496 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@]2(CCSC2)C1 ZINC000451964080 331048585 /nfs/dbraw/zinc/04/85/85/331048585.db2.gz JHMIOZVTZOPUQH-MRXNPFEDSA-N 0 3 294.464 2.406 20 30 CEEDHN CCN(CCC#N)C(=O)CN[C@H](C)c1cccc(C)c1 ZINC000452078199 331053335 /nfs/dbraw/zinc/05/33/35/331053335.db2.gz FBYLGDZUUGWJNY-CQSZACIVSA-N 0 3 273.380 2.408 20 30 CEEDHN OCCC[C@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000452119170 331054895 /nfs/dbraw/zinc/05/48/95/331054895.db2.gz KUHZEJGWEBATMI-HNNXBMFYSA-N 0 3 261.340 2.272 20 30 CEEDHN C[C@@H](CCCO)CNC(=O)C(C#N)CCc1ccccc1 ZINC000452860166 331079548 /nfs/dbraw/zinc/07/95/48/331079548.db2.gz LELWOOXLRHGAFX-HOCLYGCPSA-N 0 3 288.391 2.284 20 30 CEEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(OC)c(O)c1 ZINC000453349904 331120480 /nfs/dbraw/zinc/12/04/80/331120480.db2.gz JNSUYJXWDPTLSI-DGCLKSJQSA-N 0 3 265.353 2.379 20 30 CEEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc(C(=O)OC)co1 ZINC000453360619 331122227 /nfs/dbraw/zinc/12/22/27/331122227.db2.gz PIDIIOPGGHEUQY-JQWIXIFHSA-N 0 3 267.325 2.044 20 30 CEEDHN Cc1ncccc1NC(=O)[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000453421594 331130708 /nfs/dbraw/zinc/13/07/08/331130708.db2.gz DRRBKTAKUJTAJX-MJBXVCDLSA-N 0 3 286.379 2.389 20 30 CEEDHN C=C(CC)CNC(=O)NCCN(C)Cc1ccccc1 ZINC000454396774 331145336 /nfs/dbraw/zinc/14/53/36/331145336.db2.gz YGPLHIJARKRLBL-UHFFFAOYSA-N 0 3 275.396 2.384 20 30 CEEDHN C=CC(C)(C)CNC(=O)NC[C@@H]1CCCCN1CC ZINC000454486851 331147204 /nfs/dbraw/zinc/14/72/04/331147204.db2.gz OILXKSRDSBLRRS-ZDUSSCGKSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CC(C)(C)CNC(=O)NCC1(SC)CCN(C)CC1 ZINC000454974341 331158047 /nfs/dbraw/zinc/15/80/47/331158047.db2.gz OTLVIOFAZYQXKC-UHFFFAOYSA-N 0 3 299.484 2.325 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(C)C[C@H]1CCCN1CC ZINC000455364620 331167249 /nfs/dbraw/zinc/16/72/49/331167249.db2.gz JPMSUMSOXGVVOI-CYBMUJFWSA-N 0 3 267.417 2.324 20 30 CEEDHN C=C(CC)CNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000455517297 331171493 /nfs/dbraw/zinc/17/14/93/331171493.db2.gz FDZIPTKOLDUOEF-UHFFFAOYSA-N 0 3 253.390 2.078 20 30 CEEDHN C[C@H](N(C)C(=O)C(C#N)CCc1ccccc1)C(C)(C)O ZINC000456087534 331184130 /nfs/dbraw/zinc/18/41/30/331184130.db2.gz OEYGXVOZJMNAOF-DZGCQCFKSA-N 0 3 288.391 2.377 20 30 CEEDHN CCn1ccnc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000456095811 331184165 /nfs/dbraw/zinc/18/41/65/331184165.db2.gz HMTLDAPTWBPDBH-OAHLLOKOSA-N 0 3 296.374 2.292 20 30 CEEDHN C[C@H](CC(C)(C)O)NC(=O)C(C#N)CCc1ccccc1 ZINC000456097327 331184237 /nfs/dbraw/zinc/18/42/37/331184237.db2.gz OPQHNPINXIICMA-UKRRQHHQSA-N 0 3 288.391 2.425 20 30 CEEDHN CC[C@@H](NC(=O)C(C#N)CCc1ccccc1)[C@@H](O)CC ZINC000456660464 331198555 /nfs/dbraw/zinc/19/85/55/331198555.db2.gz JHJMSDJYVWODMS-XHSDSOJGSA-N 0 3 288.391 2.425 20 30 CEEDHN CC(C)(C)[C@H](C#N)NC(=O)C1CN(C2CCCCC2)C1 ZINC000457641441 331230000 /nfs/dbraw/zinc/23/00/00/331230000.db2.gz ZODKDWCFBJNKBO-AWEZNQCLSA-N 0 3 277.412 2.305 20 30 CEEDHN CC[C@H](CC#N)NC(=O)C1CN(C2CCCCC2)C1 ZINC000457727483 331232489 /nfs/dbraw/zinc/23/24/89/331232489.db2.gz BNWUIJQKRNKINV-CYBMUJFWSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](F)C1)C(C)C ZINC000457744595 331233018 /nfs/dbraw/zinc/23/30/18/331233018.db2.gz KQUAUAUXFCCDQR-LSDHHAIUSA-N 0 3 297.418 2.438 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)NCC(C)(C)CC#N ZINC000458384697 331250455 /nfs/dbraw/zinc/25/04/55/331250455.db2.gz URDCJUODGGOMBS-CYBMUJFWSA-N 0 3 280.416 2.100 20 30 CEEDHN C=CCCCCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458652841 331255797 /nfs/dbraw/zinc/25/57/97/331255797.db2.gz BSPMRACBLJGESP-INIZCTEOSA-N 0 3 279.428 2.470 20 30 CEEDHN C=CCC1(CNC(=O)NCCOCCN(C)C)CCCC1 ZINC000458702429 331257247 /nfs/dbraw/zinc/25/72/47/331257247.db2.gz VSHAQLMSCOZSAN-UHFFFAOYSA-N 0 3 297.443 2.000 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458726011 331258052 /nfs/dbraw/zinc/25/80/52/331258052.db2.gz GOTNPIHGVNSBJU-KBPBESRZSA-N 0 3 267.417 2.465 20 30 CEEDHN CC#CCN(C)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000458934954 331263044 /nfs/dbraw/zinc/26/30/44/331263044.db2.gz KWGJSAIUFXZWAW-HNNXBMFYSA-N 0 3 279.428 2.162 20 30 CEEDHN CCCN(CCN1CCCC1)C(=O)NCC(C)(C)CC#N ZINC000459231703 331272294 /nfs/dbraw/zinc/27/22/94/331272294.db2.gz HAPWTYGYBYFNII-UHFFFAOYSA-N 0 3 294.443 2.444 20 30 CEEDHN CCOC(=O)CCCCCN[C@H]1CCC[C@@H]1C#N ZINC000459464535 331282974 /nfs/dbraw/zinc/28/29/74/331282974.db2.gz MMRGDVGKJAAXGK-OLZOCXBDSA-N 0 3 252.358 2.392 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000468769604 331439643 /nfs/dbraw/zinc/43/96/43/331439643.db2.gz AYAXOJYXEBKLIA-BZUAXINKSA-N 0 3 294.439 2.204 20 30 CEEDHN CC[C@H](CNC(=O)C(C)C#N)Oc1ccccc1C ZINC000488624553 332020436 /nfs/dbraw/zinc/02/04/36/332020436.db2.gz SBSNILBKRGEYDH-QWHCGFSZSA-N 0 3 260.337 2.428 20 30 CEEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)NCCCCC#N)C[C@@H](C)C1 ZINC000488848078 332029173 /nfs/dbraw/zinc/02/91/73/332029173.db2.gz DGARIXANFJQRBJ-ZNMIVQPWSA-N 0 3 292.427 2.052 20 30 CEEDHN C[C@H]1C[C@H]1N1CCN(C(=O)NCCCCC#N)C[C@@H](C)C1 ZINC000488848077 332029231 /nfs/dbraw/zinc/02/92/31/332029231.db2.gz DGARIXANFJQRBJ-SOUVJXGZSA-N 0 3 292.427 2.052 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](c1ccccc1C)C1CC1 ZINC000490924222 332130033 /nfs/dbraw/zinc/13/00/33/332130033.db2.gz OGLOIDXYIUERDP-CZUORRHYSA-N 0 3 270.376 2.174 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](C)CCC2CC2)CC1 ZINC000490973269 332134688 /nfs/dbraw/zinc/13/46/88/332134688.db2.gz JNXHQAGBGKPSAN-ZDUSSCGKSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN(C)CCCN[C@H](C)c1ncccc1CC ZINC000491210310 332166925 /nfs/dbraw/zinc/16/69/25/332166925.db2.gz SCTMMYUCCKIHPW-CQSZACIVSA-N 0 3 259.397 2.250 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@]1(C)CCc2ccccc2C1 ZINC000491232032 332171374 /nfs/dbraw/zinc/17/13/74/332171374.db2.gz XLLMGRIUWDXVPP-LJQANCHMSA-N 0 3 298.430 2.253 20 30 CEEDHN C#C[C@H](CCC)NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000491240546 332171890 /nfs/dbraw/zinc/17/18/90/332171890.db2.gz AOJHPPRWJYQERB-YIYPIFLZSA-N 0 3 250.386 2.166 20 30 CEEDHN C#C[C@@H](NC(=O)[C@H](CC)N(C)C)c1ccc(Cl)cc1 ZINC000491275002 332178546 /nfs/dbraw/zinc/17/85/46/332178546.db2.gz BWQPWKWTBPPRPW-KGLIPLIRSA-N 0 3 278.783 2.471 20 30 CEEDHN C#C[C@H](C)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000491418513 332208155 /nfs/dbraw/zinc/20/81/55/332208155.db2.gz REKNNNKJJUOFNR-JTQLQIEISA-N 0 3 293.298 2.016 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(C)c1C ZINC000491440100 332212066 /nfs/dbraw/zinc/21/20/66/332212066.db2.gz NQCHMLWIJPJQJS-UHFFFAOYSA-N 0 3 273.380 2.380 20 30 CEEDHN C#CCN(CC)CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000491475204 332218673 /nfs/dbraw/zinc/21/86/73/332218673.db2.gz UTMUAHNCHJFJQE-UHFFFAOYSA-N 0 3 273.380 2.036 20 30 CEEDHN C#CCN(C)CCCNC(=O)C(C)(C)C1CCCC1 ZINC000491497185 332223634 /nfs/dbraw/zinc/22/36/34/332223634.db2.gz WEFCGEFUJXMZGE-UHFFFAOYSA-N 0 3 264.413 2.274 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)C1CCCCCC1 ZINC000491506452 332225203 /nfs/dbraw/zinc/22/52/03/332225203.db2.gz QBHSCBKVFNLJOE-UHFFFAOYSA-N 0 3 279.428 2.306 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)c1ccccc1CN(C)C ZINC000491704681 332297963 /nfs/dbraw/zinc/29/79/63/332297963.db2.gz PBUSEYJSKBSDPZ-AWEZNQCLSA-N 0 3 258.365 2.280 20 30 CEEDHN C#CCNC(=O)CCN1Cc2sccc2CC1(C)C ZINC000491739288 332318731 /nfs/dbraw/zinc/31/87/31/332318731.db2.gz NOHLCJCMFDCNPQ-UHFFFAOYSA-N 0 3 276.405 2.024 20 30 CEEDHN C#CCN(C)CCCN[C@H](c1ccc(F)cn1)C(C)C ZINC000491804538 332358504 /nfs/dbraw/zinc/35/85/04/332358504.db2.gz LTQGOVZILHZOSY-INIZCTEOSA-N 0 3 277.387 2.463 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C)c(C)c1 ZINC000491813058 332365130 /nfs/dbraw/zinc/36/51/30/332365130.db2.gz GMXCWTDQIDLWCK-UHFFFAOYSA-N 0 3 273.380 2.380 20 30 CEEDHN C#CCN(C[C@@H](O)CCOCC)[C@@H]1CCc2ccccc21 ZINC000491816849 332367454 /nfs/dbraw/zinc/36/74/54/332367454.db2.gz HYISULYCKMNBBN-FUHWJXTLSA-N 0 3 287.403 2.397 20 30 CEEDHN Cc1nc(NC(=O)/C=C\CN(C)C)sc1SCC#N ZINC000491882754 332373533 /nfs/dbraw/zinc/37/35/33/332373533.db2.gz JLIAPLWSESSUDO-PLNGDYQASA-N 0 3 296.421 2.124 20 30 CEEDHN C=CCOCCCN1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000492201136 332386827 /nfs/dbraw/zinc/38/68/27/332386827.db2.gz OBNSUTFKBSOFJI-KBPBESRZSA-N 0 3 298.427 2.424 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H]1CCC(=O)NC1(C)C ZINC000495046894 332501082 /nfs/dbraw/zinc/50/10/82/332501082.db2.gz NLYCWPAJAXSAMC-OAHLLOKOSA-N 0 3 288.391 2.398 20 30 CEEDHN CN(C)C(=O)OC1CCN(CCC(C)(C)C#N)CC1 ZINC000495790742 332529999 /nfs/dbraw/zinc/52/99/99/332529999.db2.gz AWVDNNNBGGFLBL-UHFFFAOYSA-N 0 3 267.373 2.089 20 30 CEEDHN C#CC[C@H](CC(F)(F)F)NCCNC(=O)OC(C)(C)C ZINC000495883622 332532731 /nfs/dbraw/zinc/53/27/31/332532731.db2.gz DQPSEQJAPCQQPD-SNVBAGLBSA-N 0 3 294.317 2.445 20 30 CEEDHN N#C[C@H]1CC[C@H](NC2CN(C(=O)OCc3ccccc3)C2)C1 ZINC000496585854 332553960 /nfs/dbraw/zinc/55/39/60/332553960.db2.gz RYMWFSBNFYLLOE-GJZGRUSLSA-N 0 3 299.374 2.289 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@H](COC(N)=O)Cc2ccccc2)C1 ZINC000496679525 332556506 /nfs/dbraw/zinc/55/65/06/332556506.db2.gz MFUURWFTQFUATJ-KFWWJZLASA-N 0 3 287.363 2.389 20 30 CEEDHN C#CCN1CCC(C(=O)NCC(C(C)C)C(C)C)CC1 ZINC000192628923 333237141 /nfs/dbraw/zinc/23/71/41/333237141.db2.gz MQYTVCROTBWTIE-UHFFFAOYSA-N 0 3 278.440 2.376 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](C)[C@H]2C)CC1 ZINC000173195566 335129176 /nfs/dbraw/zinc/12/91/76/335129176.db2.gz YSMIPHSNXPIREC-UONOGXRCSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCN(C)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000194416921 333270973 /nfs/dbraw/zinc/27/09/73/333270973.db2.gz LPIDTFMAEUJEIE-INIZCTEOSA-N 0 3 287.407 2.336 20 30 CEEDHN C=CC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522642050 333294295 /nfs/dbraw/zinc/29/42/95/333294295.db2.gz QZFSHORJCZYGAP-HOCLYGCPSA-N 0 3 287.407 2.374 20 30 CEEDHN C=CCCCCCNC(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000576001071 335140630 /nfs/dbraw/zinc/14/06/30/335140630.db2.gz TYAODFCLACBKKZ-KGLIPLIRSA-N 0 3 265.401 2.078 20 30 CEEDHN N#CCC1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000541022905 333759765 /nfs/dbraw/zinc/75/97/65/333759765.db2.gz IKGNPWBXPMQDNM-OAHLLOKOSA-N 0 3 292.354 2.191 20 30 CEEDHN CC[C@H](C(=O)Nc1cc(C)nn1CCC#N)N(CC)CC ZINC000545889509 334004249 /nfs/dbraw/zinc/00/42/49/334004249.db2.gz NHOMTOHTXGFICK-CYBMUJFWSA-N 0 3 291.399 2.164 20 30 CEEDHN C[C@@H](C#N)CN[C@H](C)CCCOc1ccccc1C(N)=O ZINC000546716106 334047717 /nfs/dbraw/zinc/04/77/17/334047717.db2.gz IOJONCRCXISKJU-QWHCGFSZSA-N 0 3 289.379 2.082 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000136247422 334150450 /nfs/dbraw/zinc/15/04/50/334150450.db2.gz JLIWHODIFVEFPG-UKRRQHHQSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](CC2CC2)C1 ZINC000550422661 334222217 /nfs/dbraw/zinc/22/22/17/334222217.db2.gz OEIXVNKXEDLTPZ-JSGCOSHPSA-N 0 3 275.396 2.059 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246386227 334255327 /nfs/dbraw/zinc/25/53/27/334255327.db2.gz AJMWAZSVPIKSRK-DOTOQJQBSA-N 0 3 294.439 2.038 20 30 CEEDHN CN(C)[C@H](CNC[C@H](C#N)CCC#N)c1ccccc1 ZINC000551683735 334257647 /nfs/dbraw/zinc/25/76/47/334257647.db2.gz PYXASTNAYAQGSO-GOEBONIOSA-N 0 3 270.380 2.322 20 30 CEEDHN C=CCc1cc(CN2CC[C@@H](C)[C@@H]2CO)cc(OC)c1O ZINC000249099686 334327652 /nfs/dbraw/zinc/32/76/52/334327652.db2.gz PEOKVTVNVMJDRF-DOMZBBRYSA-N 0 3 291.391 2.332 20 30 CEEDHN C=CCN(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000249277670 334330960 /nfs/dbraw/zinc/33/09/60/334330960.db2.gz NELKFQSJXSNQMS-GDBMZVCRSA-N 0 3 287.407 2.334 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@](CC)(CO)C1 ZINC000249581446 334337261 /nfs/dbraw/zinc/33/72/61/334337261.db2.gz RGSVIRXMXWTAAC-NVXWUHKLSA-N 0 3 296.455 2.284 20 30 CEEDHN COCC[C@@H](C)N1CCC(C#N)(c2ccccn2)CC1 ZINC000554565356 334439187 /nfs/dbraw/zinc/43/91/87/334439187.db2.gz QZXJGWYIMIZARA-CQSZACIVSA-N 0 3 273.380 2.364 20 30 CEEDHN COC(=O)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000554882674 334458690 /nfs/dbraw/zinc/45/86/90/334458690.db2.gz MACLRYHHXOUIQE-TZMCWYRMSA-N 0 3 258.321 2.255 20 30 CEEDHN Cc1csc(=O)n1CCN1CCC(CCC#N)CC1 ZINC000567791362 334761366 /nfs/dbraw/zinc/76/13/66/334761366.db2.gz OTPHMHPGZDCHLI-UHFFFAOYSA-N 0 3 279.409 2.234 20 30 CEEDHN N#CCCCNC[C@@H](O)COc1cccc2ccccc21 ZINC000569232724 334862596 /nfs/dbraw/zinc/86/25/96/334862596.db2.gz KRRFUIFZKUZHQU-OAHLLOKOSA-N 0 3 284.359 2.473 20 30 CEEDHN C=CC[C@@H](CO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577625290 335381055 /nfs/dbraw/zinc/38/10/55/335381055.db2.gz DSDUOKLABBKZNT-GWCFXTLKSA-N 0 3 262.309 2.109 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCc1cc2ccccc2o1 ZINC000578757692 335671098 /nfs/dbraw/zinc/67/10/98/335671098.db2.gz LYYSQIFGKCNQJH-CYBMUJFWSA-N 0 3 271.320 2.070 20 30 CEEDHN C=CCCCCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000578882768 335684855 /nfs/dbraw/zinc/68/48/55/335684855.db2.gz NPDUYTMJDYNTQY-GRDNDAEWSA-N 0 3 294.439 2.382 20 30 CEEDHN C=C[C@@H](CC(=O)N[C@@H]1CNCCC1(F)F)c1ccccc1 ZINC000578895699 335686929 /nfs/dbraw/zinc/68/69/29/335686929.db2.gz WTXAPRKQOIVYCN-GXTWGEPZSA-N 0 3 294.345 2.460 20 30 CEEDHN CC(C)CCN(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000052246072 519651052 /nfs/dbraw/zinc/65/10/52/519651052.db2.gz HEWULLMNBVZBKQ-CQSZACIVSA-N 0 3 253.390 2.019 20 30 CEEDHN COc1ccc(F)cc1[C@H](C)NC(=O)C(C)C#N ZINC000347072319 533966468 /nfs/dbraw/zinc/96/64/68/533966468.db2.gz PXGTVIMJIWWTEC-BDAKNGLRSA-N 0 3 250.273 2.171 20 30 CEEDHN COc1cc(F)c([C@@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347105525 533986867 /nfs/dbraw/zinc/98/68/67/533986867.db2.gz KQTJQDXUXSBZIA-RKDXNWHRSA-N 0 3 280.299 2.180 20 30 CEEDHN C[C@@H]1C[C@H]1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000357724453 534011951 /nfs/dbraw/zinc/01/19/51/534011951.db2.gz AHPZYMDLOPTYPM-PBHICJAKSA-N 0 3 299.418 2.495 20 30 CEEDHN COc1ccccc1CN(C(=O)C(C)C#N)C1CC1 ZINC000347068229 534050568 /nfs/dbraw/zinc/05/05/68/534050568.db2.gz LKJHHMFICYADTN-LLVKDONJSA-N 0 3 258.321 2.346 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000347128513 534284526 /nfs/dbraw/zinc/28/45/26/534284526.db2.gz GCEPTSOMPIFJJK-MRVWCRGKSA-N 0 3 258.321 2.183 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000347124446 534285784 /nfs/dbraw/zinc/28/57/84/534285784.db2.gz OSBGPMKXOADPQP-FYBVGQRMSA-N 0 3 250.248 2.097 20 30 CEEDHN C=CCN1CCC(NC(=O)CCc2ccc(O)cc2)CC1 ZINC000183734373 518861023 /nfs/dbraw/zinc/86/10/23/518861023.db2.gz AJSXVOBUUQGQDH-UHFFFAOYSA-N 0 3 288.391 2.091 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H](CC)c1cccs1 ZINC000049530837 518923705 /nfs/dbraw/zinc/92/37/05/518923705.db2.gz ZFNOOOHXZWVLCE-QWRGUYRKSA-N 0 3 252.383 2.480 20 30 CEEDHN C=CCOc1ccc(CN[C@@]2(CO)CCOC2)cc1Cl ZINC000184197766 519035718 /nfs/dbraw/zinc/03/57/18/519035718.db2.gz VMQJKXJSYLQZOT-OAHLLOKOSA-N 0 3 297.782 2.146 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](C)Cn2cncn2)cc1 ZINC000067505081 519036255 /nfs/dbraw/zinc/03/62/55/519036255.db2.gz 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ZINC000801941237 634950180 /nfs/dbraw/zinc/95/01/80/634950180.db2.gz WSCJUIFZHYLIKF-CYBMUJFWSA-N 0 3 259.353 2.190 20 30 CEEDHN C[C@@H](NC[C@@H](CO)Cc1ccoc1)c1cc(C#N)ccn1 ZINC000903086086 634962949 /nfs/dbraw/zinc/96/29/49/634962949.db2.gz CMUPKVPXPVHIPH-DOMZBBRYSA-N 0 3 285.347 2.048 20 30 CEEDHN C[C@H](N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1cc(C#N)ccn1 ZINC000903069906 634966153 /nfs/dbraw/zinc/96/61/53/634966153.db2.gz LTGIOGOBMZHVJF-SQRMYFJTSA-N 0 3 259.353 2.416 20 30 CEEDHN CN(C)c1ccnc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000903199440 635009226 /nfs/dbraw/zinc/00/92/26/635009226.db2.gz XMAIZSYRTORJLC-CHWSQXEVSA-N 0 3 258.369 2.320 20 30 CEEDHN C#CCN(C)CCCNC(=O)C/C=C\Cc1ccccc1 ZINC000823188765 635091959 /nfs/dbraw/zinc/09/19/59/635091959.db2.gz XEBVCCXONYPSQV-FPLPWBNLSA-N 0 3 284.403 2.247 20 30 CEEDHN C#Cc1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC000823257512 635114272 /nfs/dbraw/zinc/11/42/72/635114272.db2.gz AKZJMQULYRQZTB-UHFFFAOYSA-N 0 3 272.392 2.262 20 30 CEEDHN C[C@H](C#N)OCCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000823618167 635233129 /nfs/dbraw/zinc/23/31/29/635233129.db2.gz ONDFSBKSPJYCOR-OLZOCXBDSA-N 0 3 257.337 2.480 20 30 CEEDHN C#CC[C@@H]1CCCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000824021524 635324193 /nfs/dbraw/zinc/32/41/93/635324193.db2.gz NKNSRTCGUCFSQR-GDBMZVCRSA-N 0 3 274.408 2.265 20 30 CEEDHN CC(C)C#CC(=O)N(CCN(C)C)c1ccccc1 ZINC000824649204 635469794 /nfs/dbraw/zinc/46/97/94/635469794.db2.gz BJFFSGQCCYUDQF-UHFFFAOYSA-N 0 3 258.365 2.241 20 30 CEEDHN Cc1ccc(C#N)cc1C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000824658810 635472084 /nfs/dbraw/zinc/47/20/84/635472084.db2.gz QOGMUGRDYBFONO-CQSZACIVSA-N 0 3 285.391 2.469 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000824860983 635514969 /nfs/dbraw/zinc/51/49/69/635514969.db2.gz CBMCLECZTUNAQD-NEPJUHHUSA-N 0 3 283.755 2.487 20 30 CEEDHN C[C@@H](CNC(=O)C#Cc1cccs1)N1CCC(C)CC1 ZINC000825466330 635643977 /nfs/dbraw/zinc/64/39/77/635643977.db2.gz DCZUBWJOCVHSAZ-AWEZNQCLSA-N 0 3 290.432 2.336 20 30 CEEDHN Oc1ccccc1/C=N\[C@@H]1CCCN2CCSC[C@@H]12 ZINC000905002708 635773721 /nfs/dbraw/zinc/77/37/21/635773721.db2.gz KPTOUXMLJCIPKW-IKPVCSFRSA-N 0 3 276.405 2.391 20 30 CEEDHN CC1/C(=C\c2c(Cl)nc(Cl)n2C)C(=O)c2ncnn21 ZINC000905079303 635796162 /nfs/dbraw/zinc/79/61/62/635796162.db2.gz ANNOBLMKUMAYHM-HVPJABPFSA-N 0 3 298.133 2.159 20 30 CEEDHN N#Cc1ccc(F)c(CNC[C@@H](O)CC(F)(F)F)c1 ZINC000905518875 636317100 /nfs/dbraw/zinc/31/71/00/636317100.db2.gz PIECVWJWUFELSS-JTQLQIEISA-N 0 3 276.233 2.100 20 30 CEEDHN C#C[C@H](NCc1ccccc1OC)C1CCOCC1 ZINC000827570297 636357478 /nfs/dbraw/zinc/35/74/78/636357478.db2.gz LALLTEWNXHKYRG-HNNXBMFYSA-N 0 3 259.349 2.213 20 30 CEEDHN C#C[C@@H](NCCc1c(F)cccc1F)[C@@H]1CCCO1 ZINC000828307675 636566831 /nfs/dbraw/zinc/56/68/31/636566831.db2.gz UXXNYMVKKVFZJL-CABCVRRESA-N 0 3 265.303 2.278 20 30 CEEDHN C[C@@H]1CCCN1CCNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000828840306 636696111 /nfs/dbraw/zinc/69/61/11/636696111.db2.gz OTTLDJRBIOVVNV-CJNGLKHVSA-N 0 3 275.396 2.061 20 30 CEEDHN C#CC1(O)CCN([C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906590335 636789539 /nfs/dbraw/zinc/78/95/39/636789539.db2.gz PIGJSSVQRAEMEI-CABCVRRESA-N 0 3 259.324 2.142 20 30 CEEDHN C[C@@H](CNC(=O)[C@@]1(C#N)CC2CCC1CC2)N1CCCC1 ZINC000906577128 636795747 /nfs/dbraw/zinc/79/57/47/636795747.db2.gz JOOFUGAYXNPIAC-PBMMVSLJSA-N 0 3 289.423 2.307 20 30 CEEDHN Cc1cc(C(=O)N(C)[C@H]2CCCN(C)C2)cc(C)c1C#N ZINC000906799887 636858084 /nfs/dbraw/zinc/85/80/84/636858084.db2.gz XAHFZFHZXXUCSU-HNNXBMFYSA-N 0 3 285.391 2.341 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)NCc2ccccc2C)C1 ZINC000829768289 636925540 /nfs/dbraw/zinc/92/55/40/636925540.db2.gz BJJPXSNYXOWPKG-MRXNPFEDSA-N 0 3 284.403 2.347 20 30 CEEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000829774794 636926813 /nfs/dbraw/zinc/92/68/13/636926813.db2.gz UHFVYONDBQIWFY-BFYDXBDKSA-N 0 3 289.423 2.165 20 30 CEEDHN C#CC[C@H]1CCCN(Cc2ccc(C(=O)OCC)cn2)C1 ZINC000829815982 636937778 /nfs/dbraw/zinc/93/77/78/636937778.db2.gz XFTUGYYFELWVFS-AWEZNQCLSA-N 0 3 286.375 2.494 20 30 CEEDHN C[C@@H](C#N)OCCN1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000830296100 637029329 /nfs/dbraw/zinc/02/93/29/637029329.db2.gz KLSJVKNFGRMJOV-ZDUSSCGKSA-N 0 3 296.411 2.359 20 30 CEEDHN C#CC1CCN([C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000830311823 637032242 /nfs/dbraw/zinc/03/22/42/637032242.db2.gz WNCGOAHRBWVNBQ-AWEZNQCLSA-N 0 3 264.413 2.366 20 30 CEEDHN C#CC1CCN([C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000830311311 637032428 /nfs/dbraw/zinc/03/24/28/637032428.db2.gz JVRRCNJKOZRTGF-AWEZNQCLSA-N 0 3 270.376 2.037 20 30 CEEDHN C#CC1CCN([C@H](C)C(=O)N[C@H](C)CCC)CC1 ZINC000830316075 637034017 /nfs/dbraw/zinc/03/40/17/637034017.db2.gz DAOQDHGXEPZDGY-CHWSQXEVSA-N 0 3 250.386 2.025 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(F)cc1F ZINC000876574363 650338577 /nfs/dbraw/zinc/33/85/77/650338577.db2.gz CFCAHPOIEULUIE-GFCCVEGCSA-N 0 3 288.725 2.393 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1sccc1C ZINC000876577984 650342632 /nfs/dbraw/zinc/34/26/32/650342632.db2.gz XBQURXFOANXTGK-VIFPVBQESA-N 0 3 258.774 2.143 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccccc1COCC ZINC000876589919 650348095 /nfs/dbraw/zinc/34/80/95/650348095.db2.gz QTEAICATEDIGSI-AWEZNQCLSA-N 0 3 296.798 2.309 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)Oc1ccc(C)cc1 ZINC000876591975 650348766 /nfs/dbraw/zinc/34/87/66/650348766.db2.gz DKEAPLICEAPKGH-TZMCWYRMSA-N 0 3 296.798 2.348 20 30 CEEDHN Cc1ccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1C#N ZINC000832950018 637703466 /nfs/dbraw/zinc/70/34/66/637703466.db2.gz UQSFZTDTQUDCIB-CYBMUJFWSA-N 0 3 297.402 2.423 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2c1cccc2C ZINC000876629204 650366778 /nfs/dbraw/zinc/36/67/78/650366778.db2.gz DKGWCSMMXVHWIR-GFCCVEGCSA-N 0 3 264.756 2.354 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCc1cccc(F)c1 ZINC000876652770 650377357 /nfs/dbraw/zinc/37/73/57/650377357.db2.gz SNHDLHFSWVICNC-CYBMUJFWSA-N 0 3 284.762 2.344 20 30 CEEDHN C=C1CC(C)(C(=O)N2CCCN(CC)C[C@@H]2C)C1 ZINC000910269869 637965694 /nfs/dbraw/zinc/96/56/94/637965694.db2.gz MAWCGPBZYVUBHT-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN CCC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccncc1 ZINC000834965565 638001064 /nfs/dbraw/zinc/00/10/64/638001064.db2.gz DHJIHTUZBIRNHC-ZIAGYGMSSA-N 0 3 271.368 2.056 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(OC)ccc1F ZINC000876665940 650388349 /nfs/dbraw/zinc/38/83/49/650388349.db2.gz KITBTIVREQGAON-SNVBAGLBSA-N 0 3 272.707 2.243 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H]3CCC3(F)F)CCC[C@H]12 ZINC000991293847 638202298 /nfs/dbraw/zinc/20/22/98/638202298.db2.gz AWOHCRUVESSEDQ-KCQAQPDRSA-N 0 3 296.361 2.168 20 30 CEEDHN C#CCCCCCCN(CCO)Cc1cccnc1 ZINC000876690685 650401636 /nfs/dbraw/zinc/40/16/36/650401636.db2.gz YKARQFCFMMMEKI-UHFFFAOYSA-N 0 3 260.381 2.460 20 30 CEEDHN CCN1CCN(Cc2cc(C#N)ccc2N(C)C)C[C@@H]1C ZINC000876716065 650409022 /nfs/dbraw/zinc/40/90/22/650409022.db2.gz WEVZEHHZSNOJTH-AWEZNQCLSA-N 0 3 286.423 2.150 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(OC)ccc1OC ZINC000911940601 638493285 /nfs/dbraw/zinc/49/32/85/638493285.db2.gz QAILFJZTXYYYTE-LBPRGKRZSA-N 0 3 278.352 2.326 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1nc(C2CC2)cs1 ZINC000876775798 650428280 /nfs/dbraw/zinc/42/82/80/650428280.db2.gz GURJXPSEHSJAGP-VIFPVBQESA-N 0 3 285.800 2.107 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000876776855 650428295 /nfs/dbraw/zinc/42/82/95/650428295.db2.gz HNNLJNRVKOFKCV-IUCAKERBSA-N 0 3 273.789 2.099 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1cc(F)ccc1F ZINC000912285636 638631046 /nfs/dbraw/zinc/63/10/46/638631046.db2.gz VWFGEMACEIPSNJ-CYBMUJFWSA-N 0 3 268.307 2.265 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(COC)c1 ZINC000912403290 638680790 /nfs/dbraw/zinc/68/07/90/638680790.db2.gz CUEBWJIIJPTRSY-CQSZACIVSA-N 0 3 262.353 2.455 20 30 CEEDHN N#CC1(CC(=O)N2CC[C@H](N3CCC3)C2)CCCCC1 ZINC000912901392 639094172 /nfs/dbraw/zinc/09/41/72/639094172.db2.gz CPHFMYSRRLNZCM-AWEZNQCLSA-N 0 3 275.396 2.157 20 30 CEEDHN O=C(C#CC1CC1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000837318955 639182548 /nfs/dbraw/zinc/18/25/48/639182548.db2.gz ZOYZGOAPDDVFPJ-KRWDZBQOSA-N 0 3 282.387 2.353 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000837328822 639187603 /nfs/dbraw/zinc/18/76/03/639187603.db2.gz HAUZUDJTFLUTKU-RBSFLKMASA-N 0 3 279.428 2.065 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1Cc2ccccc2OC[C@@H]1C ZINC000876906465 650480492 /nfs/dbraw/zinc/48/04/92/650480492.db2.gz ZXVZINMIXAYYRY-AAEUAGOBSA-N 0 3 294.782 2.266 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCOc2cccc(F)c2C1 ZINC000876909450 650482544 /nfs/dbraw/zinc/48/25/44/650482544.db2.gz ZDQAMNILLNNZKC-GFCCVEGCSA-N 0 3 298.745 2.017 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)C#CC1CC1 ZINC000837631321 639316621 /nfs/dbraw/zinc/31/66/21/639316621.db2.gz RMDBMVGQYFFSEU-UHFFFAOYSA-N 0 3 262.397 2.124 20 30 CEEDHN Cc1n[nH]cc1CCCNCc1cc(C#N)cnc1Cl ZINC000876923542 650487874 /nfs/dbraw/zinc/48/78/74/650487874.db2.gz WJRIMNCTIZYPEO-UHFFFAOYSA-N 0 3 289.770 2.361 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000876945211 650499536 /nfs/dbraw/zinc/49/95/36/650499536.db2.gz VULNEMAZNZCQLC-INTQDDNPSA-N 0 3 283.174 2.277 20 30 CEEDHN C[C@H](O)C[C@H](C)CNCc1cc(C#N)cnc1Cl ZINC000877058750 639503022 /nfs/dbraw/zinc/50/30/22/639503022.db2.gz LXZITXCYTPWEOZ-UWVGGRQHSA-N 0 3 267.760 2.103 20 30 CEEDHN COCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000126250470 650504594 /nfs/dbraw/zinc/50/45/94/650504594.db2.gz QAIYXGAQOHXZQL-CQSZACIVSA-N 0 3 288.347 2.459 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](OC)C1CCCCC1 ZINC000876975287 650514419 /nfs/dbraw/zinc/51/44/19/650514419.db2.gz FISATCVKIFIPSO-STQMWFEESA-N 0 3 288.819 2.168 20 30 CEEDHN C#CCN(CCC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000171611690 639724257 /nfs/dbraw/zinc/72/42/57/639724257.db2.gz GOFQLKYIPWZQIB-ZDUSSCGKSA-N 0 3 266.385 2.341 20 30 CEEDHN COCC[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000876995364 650524179 /nfs/dbraw/zinc/52/41/79/650524179.db2.gz SKPDKJQKMUUIEE-SECBINFHSA-N 0 3 253.733 2.121 20 30 CEEDHN COCCOCCCCNCc1cc(C#N)cnc1Cl ZINC000876997016 650525445 /nfs/dbraw/zinc/52/54/45/650525445.db2.gz LBLTUTLTUNGSGC-UHFFFAOYSA-N 0 3 297.786 2.139 20 30 CEEDHN N#CC1(CONC(=N)COc2cccc(F)c2)CCC1 ZINC000842041782 639929728 /nfs/dbraw/zinc/92/97/28/639929728.db2.gz KQZIDQBWNDLYBY-UHFFFAOYSA-N 0 3 277.299 2.397 20 30 CEEDHN C#CCCCNCc1c(OC)cc(OC)cc1OC ZINC000174612900 639938822 /nfs/dbraw/zinc/93/88/22/639938822.db2.gz RWTIORJGLDZOKE-UHFFFAOYSA-N 0 3 263.337 2.215 20 30 CEEDHN CO[C@@H](CN[C@@H](C)CC1(C#N)CCOCC1)C(F)(F)F ZINC000877027524 650537575 /nfs/dbraw/zinc/53/75/75/650537575.db2.gz NZFBYXSIZFLRHN-QWRGUYRKSA-N 0 3 294.317 2.252 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)C3CC4(CC4)C3)CCC[C@@H]12 ZINC000992181745 639982026 /nfs/dbraw/zinc/98/20/26/639982026.db2.gz WBYCJZYOVTUORY-QAPCUYQASA-N 0 3 286.419 2.313 20 30 CEEDHN C[C@H](CO)N(C)N=C1CCCCc2ccc(N)cc21 ZINC000842537909 639985729 /nfs/dbraw/zinc/98/57/29/639985729.db2.gz GEAVAZLKGNTVSU-LLVKDONJSA-N 0 3 261.369 2.012 20 30 CEEDHN C#CCCN(CCOC)Cc1cc(COC)cs1 ZINC000827827447 639989610 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/nfs/dbraw/zinc/05/33/90/645053390.db2.gz CUMDRKDTHYWPLJ-MRXNPFEDSA-N 0 3 286.375 2.062 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc[nH]2)CC1 ZINC000760313963 645136780 /nfs/dbraw/zinc/13/67/80/645136780.db2.gz RCRWEDVVNAHVAH-ZDUSSCGKSA-N 0 3 290.411 2.415 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc[nH]2)CC1 ZINC000760320854 645138000 /nfs/dbraw/zinc/13/80/00/645138000.db2.gz JPTNXLNKMFBGDZ-GFCCVEGCSA-N 0 3 276.384 2.025 20 30 CEEDHN N#CC(C(=O)C=C(C1CC1)C1CC1)c1ccncn1 ZINC000760344053 645143303 /nfs/dbraw/zinc/14/33/03/645143303.db2.gz FVLHJESKJBKHCY-ZDUSSCGKSA-N 0 3 253.305 2.399 20 30 CEEDHN C#CC[C@H](CCOC)Nc1ccnc2ccccc21 ZINC000858857690 645272583 /nfs/dbraw/zinc/27/25/83/645272583.db2.gz QSNPZHSKDQOFEB-CYBMUJFWSA-N 0 3 254.333 2.497 20 30 CEEDHN C#CCCOC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000858912159 645291480 /nfs/dbraw/zinc/29/14/80/645291480.db2.gz JETLWLUYOMRSFA-UHFFFAOYSA-N 0 3 278.352 2.112 20 30 CEEDHN COC1(C=Nn2cnc3ccccc32)CCOCC1 ZINC000761785323 645316374 /nfs/dbraw/zinc/31/63/74/645316374.db2.gz FRXODTPFGURKPO-UHFFFAOYSA-N 0 3 259.309 2.066 20 30 CEEDHN C#CCN(C[C@H](O)CC1(O)CCC1)[C@H]1CCc2ccccc21 ZINC000859090034 645356803 /nfs/dbraw/zinc/35/68/03/645356803.db2.gz NMPAQCYBFOZPSY-AEFFLSMTSA-N 0 3 299.414 2.275 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCSC1 ZINC000762064645 645359438 /nfs/dbraw/zinc/35/94/38/645359438.db2.gz MXMLADDHDYEUNE-VXGBXAGGSA-N 0 3 282.409 2.145 20 30 CEEDHN C#CCCOC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000859107745 645366241 /nfs/dbraw/zinc/36/62/41/645366241.db2.gz BZDFHWWWGXZIBR-GOEBONIOSA-N 0 3 286.375 2.256 20 30 CEEDHN CC(C)c1csc(C(C#N)C(=O)c2cc[n+]([O-])cc2)n1 ZINC000763277196 645526544 /nfs/dbraw/zinc/52/65/44/645526544.db2.gz SAXNTAXWEIVNQJ-NSHDSACASA-N 0 3 287.344 2.390 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1C[C@]12CCOC2 ZINC000764760422 645686754 /nfs/dbraw/zinc/68/67/54/645686754.db2.gz WWCNGXPBBRAIDZ-QFSBIZTOSA-N 0 3 295.342 2.176 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000765499815 645777854 /nfs/dbraw/zinc/77/78/54/645777854.db2.gz NQACKFMWBCNHGG-AWEZNQCLSA-N 0 3 298.427 2.255 20 30 CEEDHN CCCCCCCN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000766144104 645852944 /nfs/dbraw/zinc/85/29/44/645852944.db2.gz VFBUWVFCIZTOHI-MRXNPFEDSA-N 0 3 295.471 2.195 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000861643316 646237252 /nfs/dbraw/zinc/23/72/52/646237252.db2.gz CRHKSQVPBJWHAN-YOEHRIQHSA-N 0 3 299.418 2.481 20 30 CEEDHN Cc1ccc(N2CC[C@H](N[C@@H]3CC[C@@H](C#N)C3)C2=O)cc1 ZINC000769847671 646326064 /nfs/dbraw/zinc/32/60/64/646326064.db2.gz XQOKKFYPCNNWCU-FMKPAKJESA-N 0 3 283.375 2.382 20 30 CEEDHN C#CCN1CCC(C(=O)NCCC(C)(C)C=C)CC1 ZINC000862397282 646437796 /nfs/dbraw/zinc/43/77/96/646437796.db2.gz NIOAHBUZTZNDMI-UHFFFAOYSA-N 0 3 262.397 2.050 20 30 CEEDHN CCOC(=O)C1=CC[C@H](NCc2cc(C#N)cs2)C1 ZINC000862488166 646478105 /nfs/dbraw/zinc/47/81/05/646478105.db2.gz CHAGRXNDFWPVRF-LBPRGKRZSA-N 0 3 276.361 2.361 20 30 CEEDHN Cc1cc(Cl)nc(CNC[C@@H](O)CC2(C#N)CC2)c1 ZINC000863554570 646755312 /nfs/dbraw/zinc/75/53/12/646755312.db2.gz CFGIPFHUEMIRRK-LBPRGKRZSA-N 0 3 279.771 2.188 20 30 CEEDHN C#CCCNC1(c2cccc(OC)c2F)CCOCC1 ZINC000773989692 646793606 /nfs/dbraw/zinc/79/36/06/646793606.db2.gz FZOFGHFRQGOKLL-UHFFFAOYSA-N 0 3 277.339 2.453 20 30 CEEDHN C#C[C@@H](NCCC(=O)Nc1ccccc1C)[C@@H]1CCCO1 ZINC000775789224 646992581 /nfs/dbraw/zinc/99/25/81/646992581.db2.gz LGULULRWCCBVRT-ZBFHGGJFSA-N 0 3 286.375 2.094 20 30 CEEDHN C#C[C@@H](NCCOc1cc(C)ccc1C)[C@H]1CCCO1 ZINC000775799591 646994478 /nfs/dbraw/zinc/99/44/78/646994478.db2.gz LDLTULTWZAAHEB-HZPDHXFCSA-N 0 3 273.376 2.453 20 30 CEEDHN C#CCOc1ccc(CN2CCN(C)[C@H](C)[C@@H]2C)cc1 ZINC000775985118 647013375 /nfs/dbraw/zinc/01/33/75/647013375.db2.gz JVBQORYMONPLIZ-CABCVRRESA-N 0 3 272.392 2.223 20 30 CEEDHN Cc1cc(C)nc(N=NCc2cnccc2N(C)C)n1 ZINC000776177011 647032522 /nfs/dbraw/zinc/03/25/22/647032522.db2.gz IERIHXDMJNWAAM-UHFFFAOYSA-N 0 3 270.340 2.000 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)CC1 ZINC000865193964 647202217 /nfs/dbraw/zinc/20/22/17/647202217.db2.gz QIQGFXSLUAPPOQ-NMFUWQPSSA-N 0 3 262.397 2.045 20 30 CEEDHN C#CCCCNCc1cccnc1Br ZINC000865477642 647315508 /nfs/dbraw/zinc/31/55/08/647315508.db2.gz HKDIXIDNNPMCPD-UHFFFAOYSA-N 0 3 253.143 2.347 20 30 CEEDHN Cc1cc(CN[C@H]2Cc3ccc(C#N)cc3C2)on1 ZINC000865848541 647492223 /nfs/dbraw/zinc/49/22/23/647492223.db2.gz UFLFLPONFBGWGK-AWEZNQCLSA-N 0 3 253.305 2.112 20 30 CEEDHN CN(C(=O)c1ccc2c(C#N)c[nH]c2c1)[C@H]1CCCN(C)C1 ZINC000866067827 647594916 /nfs/dbraw/zinc/59/49/16/647594916.db2.gz IRXSENHRQGINOU-AWEZNQCLSA-N 0 3 296.374 2.206 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CC[C@H]3SCCS[C@H]23)nc1 ZINC000783293378 647707370 /nfs/dbraw/zinc/70/73/70/647707370.db2.gz FZKRRVPZDCTFNG-MGPQQGTHSA-N 0 3 291.445 2.422 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H](CC)c1cccs1 ZINC000783530503 647725245 /nfs/dbraw/zinc/72/52/45/647725245.db2.gz AGULLICSLIOIQT-NSHDSACASA-N 0 3 273.423 2.390 20 30 CEEDHN COCC[C@@H](C)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000866588887 647834930 /nfs/dbraw/zinc/83/49/30/647834930.db2.gz AMZAFYKVVBNNPP-CYBMUJFWSA-N 0 3 291.370 2.244 20 30 CEEDHN C=CCCN(C)Cn1ncc2cc(C(=O)OC)ccc21 ZINC000786101498 647985207 /nfs/dbraw/zinc/98/52/07/647985207.db2.gz LEMVCLKXBMQHNO-UHFFFAOYSA-N 0 3 273.336 2.288 20 30 CEEDHN C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787069930 648070233 /nfs/dbraw/zinc/07/02/33/648070233.db2.gz UEKKYRQAPKDXIY-BNOWGMLFSA-N 0 3 270.332 2.010 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC2(CCCC2)C1 ZINC000787254360 648090856 /nfs/dbraw/zinc/09/08/56/648090856.db2.gz ZAECZOFRWWGREP-CYBMUJFWSA-N 0 3 275.396 2.203 20 30 CEEDHN CCN(CC)c1ccc(C=NN[C@@H]2CCOC2)cc1 ZINC000788452404 648187865 /nfs/dbraw/zinc/18/78/65/648187865.db2.gz MWQHYGBITRGMDQ-CQSZACIVSA-N 0 3 261.369 2.245 20 30 CEEDHN COc1cc(CN(C)C)ccc1NC(=O)C#CC(C)C ZINC000868816918 648276299 /nfs/dbraw/zinc/27/62/99/648276299.db2.gz BKTPTQBEQCGRLI-UHFFFAOYSA-N 0 3 274.364 2.355 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1cccc(C(F)F)c1 ZINC000790769152 648445706 /nfs/dbraw/zinc/44/57/06/648445706.db2.gz VVQKGHBCQVNMJJ-LBPRGKRZSA-N 0 3 294.301 2.400 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1ccc2cnccc2c1 ZINC000870142825 648711988 /nfs/dbraw/zinc/71/19/88/648711988.db2.gz OGUMZSKVUMOEID-OAHLLOKOSA-N 0 3 295.342 2.011 20 30 CEEDHN C=CCCCCC[C@H](C)NCc1nnc2n1CCOC2 ZINC000793558092 648776829 /nfs/dbraw/zinc/77/68/29/648776829.db2.gz RLEABDJLNALZRQ-ZDUSSCGKSA-N 0 3 278.400 2.423 20 30 CEEDHN COCCCNN=C1CCCC[C@@H]1N1CCCCC1 ZINC000794541482 648881065 /nfs/dbraw/zinc/88/10/65/648881065.db2.gz OEJFHKRFSWAZKZ-HNNXBMFYSA-N 0 3 267.417 2.397 20 30 CEEDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Nc1cccc(C#N)c1 ZINC000871764350 649175728 /nfs/dbraw/zinc/17/57/28/649175728.db2.gz XELGGCKYLVBDRF-CABCVRRESA-N 0 3 284.363 2.259 20 30 CEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)Nc1cccc(C#N)c1 ZINC000871764352 649177002 /nfs/dbraw/zinc/17/70/02/649177002.db2.gz XELGGCKYLVBDRF-HUUCEWRRSA-N 0 3 284.363 2.259 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC(c2nnnn2C)CC1 ZINC000872096023 649272392 /nfs/dbraw/zinc/27/23/92/649272392.db2.gz XTIRCDKMOLSOTE-GFCCVEGCSA-N 0 3 296.378 2.022 20 30 CEEDHN CN1CCC[C@H]2[C@H]1CCN2c1nc2ncccc2cc1C#N ZINC000872779771 649486969 /nfs/dbraw/zinc/48/69/69/649486969.db2.gz TYMDVEDEPCVBFU-CABCVRRESA-N 0 3 293.374 2.174 20 30 CEEDHN N#Cc1c(F)cccc1CNCCC[C@@H]1CCOC1=O ZINC000873159188 649575090 /nfs/dbraw/zinc/57/50/90/649575090.db2.gz DZBCMLPZSDWVGI-LLVKDONJSA-N 0 3 276.311 2.130 20 30 CEEDHN C=CCC(C)(C)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874827291 649843565 /nfs/dbraw/zinc/84/35/65/649843565.db2.gz QOYHLUIRNGKDQG-QWHCGFSZSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CC[C@@H](C)[NH+]1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000878519236 651119687 /nfs/dbraw/zinc/11/96/87/651119687.db2.gz GAUIWARYMXBRDX-LLVKDONJSA-N 0 3 292.383 2.125 20 30 CEEDHN C=CC[C@@H](C)[NH+]1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000878519236 651119689 /nfs/dbraw/zinc/11/96/89/651119689.db2.gz GAUIWARYMXBRDX-LLVKDONJSA-N 0 3 292.383 2.125 20 30 CEEDHN CC(C)[C@H](O)CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000878557430 651129766 /nfs/dbraw/zinc/12/97/66/651129766.db2.gz HIVNNTLRFSRCSW-OAHLLOKOSA-N 0 3 287.407 2.346 20 30 CEEDHN C[C@@H]1CN(CCc2cccs2)C[C@@H](C)N1CC#N ZINC000878772996 651182853 /nfs/dbraw/zinc/18/28/53/651182853.db2.gz FGKIZZXMKPCVSG-CHWSQXEVSA-N 0 3 263.410 2.209 20 30 CEEDHN C[C@@H]1CN(CC[C@H](O)c2ccccc2)C[C@@H](C)N1CC#N ZINC000878771889 651183025 /nfs/dbraw/zinc/18/30/25/651183025.db2.gz YVSLQERTPWASSC-INMHGKMJSA-N 0 3 287.407 2.028 20 30 CEEDHN C[C@H]1CN(C2CC(OC(C)(C)C)C2)C[C@H](C)N1CC#N ZINC000878773530 651183267 /nfs/dbraw/zinc/18/32/67/651183267.db2.gz ZBHJNUYVHMLSQV-HESLUPGFSA-N 0 3 279.428 2.251 20 30 CEEDHN C=CCCCN1Cc2cccnc2N2C[C@H](OC)C[C@@H]2C1 ZINC000879274266 651274729 /nfs/dbraw/zinc/27/47/29/651274729.db2.gz XVJATTMYHBJSBG-HZPDHXFCSA-N 0 3 287.407 2.457 20 30 CEEDHN CCOC(=O)[C@H]1CN(CCCCC#N)CCC1(F)F ZINC000879369945 651293320 /nfs/dbraw/zinc/29/33/20/651293320.db2.gz LRCFJQJMVCTQAG-LLVKDONJSA-N 0 3 274.311 2.201 20 30 CEEDHN Cc1ccc(CN(CC2CC2)[C@@H](C(N)=O)C2CC2)cc1C#N ZINC000879485325 651310342 /nfs/dbraw/zinc/31/03/42/651310342.db2.gz DSNXUWUPQANKGY-QGZVFWFLSA-N 0 3 297.402 2.343 20 30 CEEDHN N#Cc1ccc(N2CCN(CCCCF)CC2)cc1 ZINC000879586153 651327788 /nfs/dbraw/zinc/32/77/88/651327788.db2.gz FRBYFZPMRSWBDN-UHFFFAOYSA-N 0 3 261.344 2.430 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@]2(CCc3ccccc32)C1 ZINC000879994527 651370467 /nfs/dbraw/zinc/37/04/67/651370467.db2.gz HCNJMKUZXLUHKW-KDOFPFPSSA-N 0 3 284.403 2.267 20 30 CEEDHN C#CCC1(O)CCN(Cc2nc3ccccc3nc2C)CC1 ZINC000880476622 651447568 /nfs/dbraw/zinc/44/75/68/651447568.db2.gz AFKFTGZLQUHSPC-UHFFFAOYSA-N 0 3 295.386 2.288 20 30 CEEDHN Cc1ccc(CN2CCC3(CC2)COCCO3)cc1C#N ZINC000880549114 651458973 /nfs/dbraw/zinc/45/89/73/651458973.db2.gz NSBZGKKRJQFNQP-UHFFFAOYSA-N 0 3 286.375 2.248 20 30 CEEDHN C#CCCN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000880597519 651468446 /nfs/dbraw/zinc/46/84/46/651468446.db2.gz CMCOTAVUGFQVKM-STQMWFEESA-N 0 3 271.282 2.134 20 30 CEEDHN C=CC(C)(C)CC(=O)NC(C)(C)CN1CCN(CC)CC1 ZINC000880648751 651477570 /nfs/dbraw/zinc/47/75/70/651477570.db2.gz HCWSWUSJGQCWQL-UHFFFAOYSA-N 0 3 295.471 2.121 20 30 CEEDHN Cc1ccc(N2CCN(CC(C)C)CC2)c(C#N)n1 ZINC000881757240 651876876 /nfs/dbraw/zinc/87/68/76/651876876.db2.gz BTPWSMFAGMGPRJ-UHFFFAOYSA-N 0 3 258.369 2.040 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2ccc3oc(=O)oc3c2)C1 ZINC000883150046 652380468 /nfs/dbraw/zinc/38/04/68/652380468.db2.gz SYFSFTOFOXBODR-GXSJLCMTSA-N 0 3 258.277 2.168 20 30 CEEDHN C=CCC[C@H](COc1ccccc1)NCC(=O)N(C)CC ZINC000883217879 652403069 /nfs/dbraw/zinc/40/30/69/652403069.db2.gz PMBWLNCYFUDGLP-OAHLLOKOSA-N 0 3 290.407 2.468 20 30 CEEDHN CCN1CC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000883355331 652439758 /nfs/dbraw/zinc/43/97/58/652439758.db2.gz ONWSISOWQQPNIM-AAEUAGOBSA-N 0 3 261.344 2.442 20 30 CEEDHN CC(C)(C)OC(=O)N1CCC[C@H](CNCCC#N)C1 ZINC000132031232 652488706 /nfs/dbraw/zinc/48/87/06/652488706.db2.gz UPDNFBYQGDKWQS-GFCCVEGCSA-N 0 3 267.373 2.137 20 30 CEEDHN Cc1ccccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884044632 652655500 /nfs/dbraw/zinc/65/55/00/652655500.db2.gz OWXWKMQAZBXZAF-MFOWVQHXSA-N 0 3 269.348 2.073 20 30 CEEDHN CC(C)(C)CC(C)(C)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884047308 652658240 /nfs/dbraw/zinc/65/82/40/652658240.db2.gz NXMGHRQXYFPWTB-UIORMTCPSA-N 0 3 291.439 2.457 20 30 CEEDHN C[C@@H]1CCC[C@H](NC(=O)C2CC3(C2)CNC[C@H]3C#N)[C@@H]1C ZINC000884048419 652659230 /nfs/dbraw/zinc/65/92/30/652659230.db2.gz KJUUGNJFTGDZBI-CCQVXWAESA-N 0 3 289.423 2.067 20 30 CEEDHN CCc1cccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c1 ZINC000884047882 652659620 /nfs/dbraw/zinc/65/96/20/652659620.db2.gz OYUIYIBPSUYTTK-UUCFBXCCSA-N 0 3 283.375 2.327 20 30 CEEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1cccc3[nH]ccc31)C2 ZINC000884068096 652693344 /nfs/dbraw/zinc/69/33/44/652693344.db2.gz CSILPEMVTJWRIN-JKGQDXBKSA-N 0 3 294.358 2.246 20 30 CEEDHN CC1CCC(C)(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884118224 652715227 /nfs/dbraw/zinc/71/52/27/652715227.db2.gz YOGVKXSDRQEGAI-XWTIBIIYSA-N 0 3 289.423 2.211 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(C)CCCF)CC1 ZINC000884131162 652721959 /nfs/dbraw/zinc/72/19/59/652721959.db2.gz DFYXXFADSJWLER-UHFFFAOYSA-N 0 3 271.380 2.028 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1N(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884307180 652790044 /nfs/dbraw/zinc/79/00/44/652790044.db2.gz AXWHHRDCVMMMHL-GQGDVANPSA-N 0 3 289.423 2.163 20 30 CEEDHN CCCN(CC(C)C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884436048 652849945 /nfs/dbraw/zinc/84/99/45/652849945.db2.gz STQDNHRNWWQZNK-BBBYJDLNSA-N 0 3 277.412 2.020 20 30 CEEDHN C=C1CCC(C(=O)NC[C@@H]2CCN2C2CCOCC2)CC1 ZINC000885896180 653065375 /nfs/dbraw/zinc/06/53/75/653065375.db2.gz WCDKSFIRTVHNSH-INIZCTEOSA-N 0 3 292.423 2.102 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C)o2)[C@H]1CC ZINC001087494592 805583283 /nfs/dbraw/zinc/58/32/83/805583283.db2.gz ZKHITLMDXHYDAY-UONOGXRCSA-N 0 3 274.364 2.194 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)noc2C)[C@H]1CC ZINC001087498701 805587255 /nfs/dbraw/zinc/58/72/55/805587255.db2.gz DQNOXOLBKCVEIR-UONOGXRCSA-N 0 3 291.395 2.450 20 30 CEEDHN C#CCN1CCC(C)(CNC(=O)c2coc(C)c2)CC1 ZINC001270874242 805640130 /nfs/dbraw/zinc/64/01/30/805640130.db2.gz HLTXGRVRDRYLOE-UHFFFAOYSA-N 0 3 274.364 2.053 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)nc(C)c2)[C@H]1CC ZINC001087586932 805757234 /nfs/dbraw/zinc/75/72/34/805757234.db2.gz NOUDVRXLBLURDM-JKSUJKDBSA-N 0 3 287.407 2.467 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)/C=C/c3ccco3)C[C@@H]2C1 ZINC001087869434 805827731 /nfs/dbraw/zinc/82/77/31/805827731.db2.gz RRRSEMHMYWNUIO-ZWOPJXCPSA-N 0 3 298.386 2.096 20 30 CEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3cc(C)on3)C2)C1 ZINC001040061618 805886494 /nfs/dbraw/zinc/88/64/94/805886494.db2.gz FGBTXVFEPQLLTF-MRXNPFEDSA-N 0 3 289.379 2.097 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)C3(C)CCCC3)C[C@@H]2C1 ZINC001088057147 805888893 /nfs/dbraw/zinc/88/88/93/805888893.db2.gz MURNJEXCXDTVDH-CVEARBPZSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2C1 ZINC001088180407 805964502 /nfs/dbraw/zinc/96/45/02/805964502.db2.gz HGFXUESSSNFJFZ-SJORKVTESA-N 0 3 282.387 2.022 20 30 CEEDHN C=C(Cl)CN[C@@H](CNC(=O)/C(C)=C/C)C(C)C ZINC001271821378 806105282 /nfs/dbraw/zinc/10/52/82/806105282.db2.gz NXWUQYPBOFNABU-JXPAYYINSA-N 0 3 258.793 2.436 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C[C@@H]2C1 ZINC001271887921 806129187 /nfs/dbraw/zinc/12/91/87/806129187.db2.gz UVOBALKKAHBDNZ-XUWVNRHRSA-N 0 3 290.451 2.328 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC001040145426 806252588 /nfs/dbraw/zinc/25/25/88/806252588.db2.gz OLFGMEKPQZKGGZ-FLUNIGMLSA-N 0 3 274.408 2.290 20 30 CEEDHN COc1ccc2c(c1)C[C@H](NCC1(C#N)CCC1)C2 ZINC001168228131 806423399 /nfs/dbraw/zinc/42/33/99/806423399.db2.gz ANZFNIVVROFSPZ-CQSZACIVSA-N 0 3 256.349 2.446 20 30 CEEDHN COc1ccc2c(c1)C[C@@H](NCc1cc(C#N)co1)C2 ZINC001168261044 806452420 /nfs/dbraw/zinc/45/24/20/806452420.db2.gz RJPJQQLLACJWBZ-AWEZNQCLSA-N 0 3 268.316 2.417 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC001272125397 806557953 /nfs/dbraw/zinc/55/79/53/806557953.db2.gz BTGRGBRDNXUINP-HUUCEWRRSA-N 0 3 282.428 2.158 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCc3cccnc32)[C@H]1C ZINC001088810864 806743614 /nfs/dbraw/zinc/74/36/14/806743614.db2.gz YKIFVWJTJRQUEQ-BMFZPTHFSA-N 0 3 299.418 2.267 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccn(CC)c3C)[C@@H]2C1 ZINC001076160192 806819423 /nfs/dbraw/zinc/81/94/23/806819423.db2.gz QDCXWGVZCMRJMD-GOEBONIOSA-N 0 3 287.407 2.149 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C)cc3)[C@@H]2C1 ZINC001076494609 806853798 /nfs/dbraw/zinc/85/37/98/806853798.db2.gz IRBMXOBFHADURZ-JKSUJKDBSA-N 0 3 270.376 2.327 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(CF)cc3)[C@@H]2C1 ZINC001076619490 806864564 /nfs/dbraw/zinc/86/45/64/806864564.db2.gz IFEAMKPEUURSJI-JKSUJKDBSA-N 0 3 288.366 2.488 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)C2CCCCCCC2)[C@@H](O)C1 ZINC001083629133 806971510 /nfs/dbraw/zinc/97/15/10/806971510.db2.gz DYLVBQRWMVFPPG-CVEARBPZSA-N 0 3 294.439 2.084 20 30 CEEDHN C=CCN(CCN1CC[C@@H](OC)C[C@H]1C)C(=O)OCC ZINC001209024507 802454572 /nfs/dbraw/zinc/45/45/72/802454572.db2.gz SUIDOAXYTIWDEZ-ZIAGYGMSSA-N 0 3 284.400 2.130 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C(CCC)CCC)C1 ZINC001266339222 802459755 /nfs/dbraw/zinc/45/97/55/802459755.db2.gz LVBGWBSFSOFXJX-HNNXBMFYSA-N 0 3 264.413 2.417 20 30 CEEDHN C=CCN(C)CCNC(=O)c1ccc(OC)c(C2CC2)c1 ZINC001266342206 802461063 /nfs/dbraw/zinc/46/10/63/802461063.db2.gz KJIROBSXFJAAIN-UHFFFAOYSA-N 0 3 288.391 2.420 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)C[C@@H]1CCO[C@@H](CC)C1 ZINC001266343970 802465805 /nfs/dbraw/zinc/46/58/05/802465805.db2.gz CSKQPNFXENDKGP-CABCVRRESA-N 0 3 282.428 2.206 20 30 CEEDHN C#CCCCN1CCCn2cnc(COCC)c2C1 ZINC001209266947 802491787 /nfs/dbraw/zinc/49/17/87/802491787.db2.gz GQHHYOALZCKFRS-UHFFFAOYSA-N 0 3 261.369 2.039 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)C1(C(C)(F)F)CC1 ZINC001266483275 802626597 /nfs/dbraw/zinc/62/65/97/802626597.db2.gz RZDONQADRCVJRP-LBPRGKRZSA-N 0 3 284.350 2.026 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)C1(C(C)(F)F)CC1 ZINC001266483274 802626545 /nfs/dbraw/zinc/62/65/45/802626545.db2.gz RZDONQADRCVJRP-GFCCVEGCSA-N 0 3 284.350 2.026 20 30 CEEDHN CC(C)N1CC[C@H](OCC(=O)c2cccc(C#N)c2)C1 ZINC001210368713 802675609 /nfs/dbraw/zinc/67/56/09/802675609.db2.gz HJBLXNAQXDKRSW-HNNXBMFYSA-N 0 3 272.348 2.240 20 30 CEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccoc2)C1 ZINC001039186630 802676548 /nfs/dbraw/zinc/67/65/48/802676548.db2.gz MJBHGBZRLNPSRD-ZBFHGGJFSA-N 0 3 286.375 2.229 20 30 CEEDHN C=CCCCC(=O)N1CC[C@H](NCc2cncc(F)c2)C1 ZINC001266545423 802700210 /nfs/dbraw/zinc/70/02/10/802700210.db2.gz PPOMRFNSHMGIEE-HNNXBMFYSA-N 0 3 291.370 2.268 20 30 CEEDHN Cc1cc(C)c(C(=O)NCCNCc2ccc(C#N)cc2)o1 ZINC001125405230 802706970 /nfs/dbraw/zinc/70/69/70/802706970.db2.gz IEILSAOBVVWOBW-UHFFFAOYSA-N 0 3 297.358 2.288 20 30 CEEDHN C=C(C)CN(CCNC(=O)c1coc(C2CC2)n1)C1CC1 ZINC001266613929 802777008 /nfs/dbraw/zinc/77/70/08/802777008.db2.gz LXKSIHKSARGRIZ-UHFFFAOYSA-N 0 3 289.379 2.322 20 30 CEEDHN C=C(C)CN1CCC[C@@](CO)(NC(=O)C=C(CC)CC)C1 ZINC001279481360 802849461 /nfs/dbraw/zinc/84/94/61/802849461.db2.gz VDTGKECHVYEEQI-QGZVFWFLSA-N 0 3 294.439 2.252 20 30 CEEDHN CC#CCCCC(=O)N[C@H]1C[C@@H](NCc2cncs2)C1 ZINC001266705902 802852553 /nfs/dbraw/zinc/85/25/53/802852553.db2.gz VWWWRQQHPLEIIX-BETUJISGSA-N 0 3 291.420 2.074 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001046444386 811755122 /nfs/dbraw/zinc/75/51/22/811755122.db2.gz RLUQRTUYYVSENT-KRWDZBQOSA-N 0 3 298.390 2.252 20 30 CEEDHN CC#CCN[C@@H]1CN(C(=O)CC2CC2)C[C@H]1c1ccccc1 ZINC001211515420 802879372 /nfs/dbraw/zinc/87/93/72/802879372.db2.gz TXHZWSKULHAKAU-ZWKOTPCHSA-N 0 3 296.414 2.394 20 30 CEEDHN CC#CCNCCN(C)C(=O)c1ccc(CCC)cc1 ZINC001266819426 802920189 /nfs/dbraw/zinc/92/01/89/802920189.db2.gz IWEBXKMXKUBBPM-UHFFFAOYSA-N 0 3 272.392 2.324 20 30 CEEDHN CC#CCN[C@@H](C)CNC(=O)c1ccc(OC)cc1Cl ZINC001266979537 803033566 /nfs/dbraw/zinc/03/35/66/803033566.db2.gz IMUQIXQFKDVPFT-NSHDSACASA-N 0 3 294.782 2.080 20 30 CEEDHN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1snnc1C ZINC001133884165 813169031 /nfs/dbraw/zinc/16/90/31/813169031.db2.gz MBKWKUCSYWGVRV-QWRGUYRKSA-N 0 3 296.440 2.186 20 30 CEEDHN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1ocnc1C ZINC001133885052 813169330 /nfs/dbraw/zinc/16/93/30/813169330.db2.gz WPOGYZWVBTUNAS-NWDGAFQWSA-N 0 3 279.384 2.322 20 30 CEEDHN CC(C)=C(F)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001125594119 803133712 /nfs/dbraw/zinc/13/37/12/803133712.db2.gz YUMKWFKJTPFJBY-UHFFFAOYSA-N 0 3 275.327 2.027 20 30 CEEDHN CC#CCN(C)[C@H]1CCCN(C(=O)C2CCC(F)CC2)C1 ZINC001267110512 803136721 /nfs/dbraw/zinc/13/67/21/803136721.db2.gz DXLSNZOJJXBZTF-GPANFISMSA-N 0 3 294.414 2.461 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3ncoc3C)C[C@H]21 ZINC001041967548 803137020 /nfs/dbraw/zinc/13/70/20/803137020.db2.gz QIRPEOQEVGFWTD-ZIAGYGMSSA-N 0 3 289.379 2.096 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1nccc2ccccc21 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C=CCN1CCCC[C@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC001034228572 809556088 /nfs/dbraw/zinc/55/60/88/809556088.db2.gz XQYBABKTEQPAQC-INIZCTEOSA-N 0 3 287.407 2.469 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)Cc2cncs2)C1 ZINC001034255715 809563665 /nfs/dbraw/zinc/56/36/65/809563665.db2.gz FOTXPXUENQPCFS-ZDUSSCGKSA-N 0 3 293.436 2.232 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001034348190 809586310 /nfs/dbraw/zinc/58/63/10/809586310.db2.gz ZUGKIBAFMABMMO-IHRRRGAJSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001034384234 809593260 /nfs/dbraw/zinc/59/32/60/809593260.db2.gz FDKOCGIFJNGXNM-LLVKDONJSA-N 0 3 281.787 2.438 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001034419195 809605878 /nfs/dbraw/zinc/60/58/78/809605878.db2.gz PDQGEQCWGFVRQN-YESZJQIVSA-N 0 3 299.418 2.342 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cn(CC)cn2)C1 ZINC001034488586 809619714 /nfs/dbraw/zinc/61/97/14/809619714.db2.gz WJXSIHJDLNOTRO-AWEZNQCLSA-N 0 3 290.411 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C=CCCN1C[C@@H](C)[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001080963607 810319300 /nfs/dbraw/zinc/31/93/00/810319300.db2.gz GUOOEJACAQOIQQ-ZWNOBZJWSA-N 0 3 293.436 2.386 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001015646483 810321860 /nfs/dbraw/zinc/32/18/60/810321860.db2.gz SRHSATGRDYTDRX-OAHLLOKOSA-N 0 3 290.794 2.096 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001015686622 810333175 /nfs/dbraw/zinc/33/31/75/810333175.db2.gz DRFLWKLPTOSQJI-QWHCGFSZSA-N 0 3 284.350 2.026 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)C(C)(C)C=C)C[C@H]1c1ccccc1 ZINC001081159731 810333484 /nfs/dbraw/zinc/33/34/84/810333484.db2.gz ACWSSGOQHZBOPO-DLBZAZTESA-N 0 3 296.414 2.416 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCC1Cc2ccccc2C1 ZINC001121880654 815362716 /nfs/dbraw/zinc/36/27/16/815362716.db2.gz WIKBCVQJOSMCMW-INIZCTEOSA-N 0 3 272.392 2.201 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001015758658 810348587 /nfs/dbraw/zinc/34/85/87/810348587.db2.gz VOWFPCGJESEODS-CYBMUJFWSA-N 0 3 284.350 2.026 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)NC[C@@H](F)C(C)(C)O ZINC001172304292 815363226 /nfs/dbraw/zinc/36/32/26/815363226.db2.gz JDEOQPDUBWSVSE-BXUZGUMPSA-N 0 3 264.344 2.188 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001016073394 810395884 /nfs/dbraw/zinc/39/58/84/810395884.db2.gz BEKODASKDLZCCF-AWEZNQCLSA-N 0 3 276.767 2.167 20 30 CEEDHN C=CCCN1C[C@H]2OCCN(C(=O)C3CCCCC3)[C@H]2C1 ZINC001082985601 810418131 /nfs/dbraw/zinc/41/81/31/810418131.db2.gz KASGAXBSCMCTAC-JKSUJKDBSA-N 0 3 292.423 2.054 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3ccc(C)o3)[C@@H]2C1 ZINC001084290410 810453311 /nfs/dbraw/zinc/45/33/11/810453311.db2.gz XHAMBEKQKXBSQS-GDBMZVCRSA-N 0 3 288.391 2.239 20 30 CEEDHN C[C@H](C#N)C(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001084236613 810453805 /nfs/dbraw/zinc/45/38/05/810453805.db2.gz KZCSKOFGMFIAHV-FVQBIDKESA-N 0 3 287.407 2.179 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3CC(F)(F)C3)[C@@H]2C1 ZINC001084269916 810457285 /nfs/dbraw/zinc/45/72/85/810457285.db2.gz OCUAXSUNFNEEAH-DGCLKSJQSA-N 0 3 284.350 2.141 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)Cc2ccc(C)cc2)CC1 ZINC001016715711 810464159 /nfs/dbraw/zinc/46/41/59/810464159.db2.gz OVBYNLOLMMMEPN-KRWDZBQOSA-N 0 3 296.414 2.141 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@]3(C)CC=CCC3)[C@@H]2C1 ZINC001084369614 810465093 /nfs/dbraw/zinc/46/50/93/810465093.db2.gz RHLPHDJPRMZABG-JFIYKMOQSA-N 0 3 286.419 2.289 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC=CCC2)CC1 ZINC001016767887 810466335 /nfs/dbraw/zinc/46/63/35/810466335.db2.gz BSJFDFLWLTYXCU-CVEARBPZSA-N 0 3 286.419 2.337 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@H](C)C(C)(C)C)[C@@H]2C1 ZINC001084454481 810469399 /nfs/dbraw/zinc/46/93/99/810469399.db2.gz RTDYACFAMDZPJV-RRFJBIMHSA-N 0 3 276.424 2.225 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H]2CC23CCN(CC#CC)CC3)C1 ZINC001016817243 810472072 /nfs/dbraw/zinc/47/20/72/810472072.db2.gz KAQVPBSNVDHGPZ-OAHLLOKOSA-N 0 3 286.419 2.337 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cccn2CC)CC1 ZINC001016977265 810481208 /nfs/dbraw/zinc/48/12/08/810481208.db2.gz UNTDQRWMHPNACH-MRXNPFEDSA-N 0 3 299.418 2.116 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3Cc4ccccc43)[C@@H]2C1 ZINC001084619621 810489509 /nfs/dbraw/zinc/48/95/09/810489509.db2.gz NAEVASGYLFCISB-KBAYOESNSA-N 0 3 296.414 2.435 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCC1(C2CC2)CCC1 ZINC001121979508 815373561 /nfs/dbraw/zinc/37/35/61/815373561.db2.gz YGLYTZXMSMZLIV-ZDUSSCGKSA-N 0 3 250.386 2.367 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCO1 ZINC001017380446 810517756 /nfs/dbraw/zinc/51/77/56/810517756.db2.gz VXLSMYLNGFAGNI-XHSDSOJGSA-N 0 3 292.423 2.197 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCOC1 ZINC001017460957 810524915 /nfs/dbraw/zinc/52/49/15/810524915.db2.gz GMEFEYILDCHNQR-OAGGEKHMSA-N 0 3 292.423 2.054 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C#N)c1 ZINC001017489938 810526994 /nfs/dbraw/zinc/52/69/94/810526994.db2.gz UCKYWHQOMGYZIL-IYBDPMFKSA-N 0 3 298.390 2.141 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnccc1C ZINC001017627874 810538414 /nfs/dbraw/zinc/53/84/14/810538414.db2.gz ACQHYXAFFLWNCE-CALCHBBNSA-N 0 3 299.418 2.184 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCCO1 ZINC001098926886 810541141 /nfs/dbraw/zinc/54/11/41/810541141.db2.gz GDCDCQNZEPSXHE-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)n3cccc3)C[C@@H]21 ZINC001084922968 810546319 /nfs/dbraw/zinc/54/63/19/810546319.db2.gz UHYMIWRZAVPVKT-XHSDSOJGSA-N 0 3 287.407 2.158 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[C@@H]1C ZINC001017891631 810568062 /nfs/dbraw/zinc/56/80/62/810568062.db2.gz DYHWBYSCVHPKSI-ZQDZILKHSA-N 0 3 262.397 2.284 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)o2)C1 ZINC001019415755 810708071 /nfs/dbraw/zinc/70/80/71/810708071.db2.gz MEOAVIHBTUYEFN-HNNXBMFYSA-N 0 3 294.354 2.384 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)/C=C/Cl ZINC001122179827 815390996 /nfs/dbraw/zinc/39/09/96/815390996.db2.gz GXXYFEHGQLDGMH-ZJELKQJVSA-N 0 3 251.157 2.104 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001019506314 810716370 /nfs/dbraw/zinc/71/63/70/810716370.db2.gz XCKHNBCYLAQDNJ-ZBFHGGJFSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC001019518658 810717861 /nfs/dbraw/zinc/71/78/61/810717861.db2.gz XUVLMPFZKJFLQI-QFBILLFUSA-N 0 3 296.414 2.104 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C[C@H](C)c2ccccc2)C1 ZINC001019737171 810735007 /nfs/dbraw/zinc/73/50/07/810735007.db2.gz YJQZXTFVTLSXAJ-HOCLYGCPSA-N 0 3 270.376 2.004 20 30 CEEDHN CN1CCC[C@](C)(NC(=O)Nc2cccc(C#N)c2)C1 ZINC001202798891 810735972 /nfs/dbraw/zinc/73/59/72/810735972.db2.gz RTCUFVVOICSNOJ-HNNXBMFYSA-N 0 3 272.352 2.164 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001019983732 810755539 /nfs/dbraw/zinc/75/55/39/810755539.db2.gz GSALUTXIYKLZCX-AVGNSLFASA-N 0 3 268.788 2.332 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc[nH]1 ZINC001085483228 810782525 /nfs/dbraw/zinc/78/25/25/810782525.db2.gz WWAYPWHYYAIMTM-ZDUSSCGKSA-N 0 3 261.369 2.127 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccn1C ZINC001085492364 810790572 /nfs/dbraw/zinc/79/05/72/810790572.db2.gz VMHAUVAGMQABQR-CQSZACIVSA-N 0 3 275.396 2.138 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001038146754 810798480 /nfs/dbraw/zinc/79/84/80/810798480.db2.gz SRKGBBQTWDIMLN-KBXIAJHMSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cncc(C)c1 ZINC001085528925 810808411 /nfs/dbraw/zinc/80/84/11/810808411.db2.gz KINVWAHSMDJBQL-OAHLLOKOSA-N 0 3 273.380 2.112 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccnn1CCC ZINC001038297073 810818884 /nfs/dbraw/zinc/81/88/84/810818884.db2.gz SVMBZNIMQUGDJA-AWEZNQCLSA-N 0 3 290.411 2.063 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC1(C)C ZINC001085551419 810823564 /nfs/dbraw/zinc/82/35/64/810823564.db2.gz YJVKIXKJMXTJRH-QWHCGFSZSA-N 0 3 250.386 2.141 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccnn1CC ZINC001085562993 810830238 /nfs/dbraw/zinc/83/02/38/810830238.db2.gz BRAGYGDHOUFGHM-CQSZACIVSA-N 0 3 290.411 2.016 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001085573319 810835531 /nfs/dbraw/zinc/83/55/31/810835531.db2.gz SZPJGTKRRJSFTP-AVGNSLFASA-N 0 3 286.366 2.387 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccnn1C(C)C ZINC001085617668 810854433 /nfs/dbraw/zinc/85/44/33/810854433.db2.gz UCFQOWJHRJTOMN-AWEZNQCLSA-N 0 3 290.411 2.186 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCN2CCC(=C)C)cc1 ZINC001038590690 810870871 /nfs/dbraw/zinc/87/08/71/810870871.db2.gz ZOCLPNFFLJIWOE-QGZVFWFLSA-N 0 3 282.387 2.438 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001038864798 810932051 /nfs/dbraw/zinc/93/20/51/810932051.db2.gz RAVVOFYSZSPTFI-ZDUSSCGKSA-N 0 3 273.380 2.272 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCN2CCC(C)(C)C)nc1 ZINC001038932085 810948251 /nfs/dbraw/zinc/94/82/51/810948251.db2.gz PULSTUZVPIQALK-OAHLLOKOSA-N 0 3 299.418 2.303 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1C ZINC001039356166 811016400 /nfs/dbraw/zinc/01/64/00/811016400.db2.gz UYOUKVJAAPCGTQ-CVEARBPZSA-N 0 3 297.402 2.092 20 30 CEEDHN C[C@@H](N)c1nc2ccccc2n1-c1ncccc1C#N ZINC001155247665 811024897 /nfs/dbraw/zinc/02/48/97/811024897.db2.gz KLEOKTQEJBCVJS-SNVBAGLBSA-N 0 3 263.304 2.312 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)[nH]c1C ZINC001039444814 811032426 /nfs/dbraw/zinc/03/24/26/811032426.db2.gz UDOCYVGZEHXDBW-CVEARBPZSA-N 0 3 299.418 2.334 20 30 CEEDHN C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039531508 811050602 /nfs/dbraw/zinc/05/06/02/811050602.db2.gz QJGGOMSURDRBCC-AEGPPILISA-N 0 3 275.396 2.011 20 30 CEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3cccnc3)C2)C1 ZINC001040039565 811077208 /nfs/dbraw/zinc/07/72/08/811077208.db2.gz IIJHXQTUSCTHEC-QGZVFWFLSA-N 0 3 285.391 2.196 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H](OCC)C(C)C)CC1 ZINC001273417319 811086196 /nfs/dbraw/zinc/08/61/96/811086196.db2.gz GAIBGCUWNHPNQT-CVEARBPZSA-N 0 3 294.439 2.042 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2CCC2)C1 ZINC001086289915 811093159 /nfs/dbraw/zinc/09/31/59/811093159.db2.gz QDJDSFICWMJBAS-UMSPYCQHSA-N 0 3 256.777 2.023 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C3CC(C)(C)C3)C2)C1 ZINC001040188076 811095847 /nfs/dbraw/zinc/09/58/47/811095847.db2.gz OFBWPCFWHWRNNM-GOSISDBHSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](C)C(C)(F)F)C2)C1 ZINC001040399511 811109944 /nfs/dbraw/zinc/10/99/44/811109944.db2.gz PNMAXZGUTUXYFB-CZUORRHYSA-N 0 3 298.377 2.225 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)[C@@H](C)C(C)(F)F)C2)C1 ZINC001040399505 811110378 /nfs/dbraw/zinc/11/03/78/811110378.db2.gz PNMAXZGUTUXYFB-CJNGLKHVSA-N 0 3 298.377 2.225 20 30 CEEDHN CC#CCN1CCC2(CCN(C(=O)C[C@H]3C[C@H]3C)C2)CC1 ZINC001040832778 811125392 /nfs/dbraw/zinc/12/53/92/811125392.db2.gz MSRZUWSPDVZORQ-HZPDHXFCSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3ccc(C)s3)C2)C1 ZINC001041023954 811137445 /nfs/dbraw/zinc/13/74/45/811137445.db2.gz UJMROCKRPUDNOB-MRXNPFEDSA-N 0 3 288.416 2.228 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3cc(C)c(C)o3)C2)C1 ZINC001041207713 811152711 /nfs/dbraw/zinc/15/27/11/811152711.db2.gz OJWZQQZWJLBHAW-KRWDZBQOSA-N 0 3 286.375 2.068 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cc(C)cc(Cl)n1 ZINC001122575161 815426848 /nfs/dbraw/zinc/42/68/48/815426848.db2.gz DSFDLCBKIIHNBM-SNVBAGLBSA-N 0 3 288.178 2.130 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3occc3Cl)C2)C1 ZINC001041646411 811182333 /nfs/dbraw/zinc/18/23/33/811182333.db2.gz QKMKYBGEVMNPJI-HNNXBMFYSA-N 0 3 292.766 2.104 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C[C@H](C)C3CC3)C2)C1 ZINC001041849182 811198290 /nfs/dbraw/zinc/19/82/90/811198290.db2.gz RYLQMHMCORDJTF-MAUKXSAKSA-N 0 3 288.435 2.370 20 30 CEEDHN Cn1ccnc1C(C#N)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001122605745 815430260 /nfs/dbraw/zinc/43/02/60/815430260.db2.gz AZKAHAYWJINJLN-RNJOBUHISA-N 0 3 257.337 2.423 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc[nH]c3C)C[C@H]21 ZINC001042002285 811229570 /nfs/dbraw/zinc/22/95/70/811229570.db2.gz HYCCXBSJXFKTPP-UKRRQHHQSA-N 0 3 273.380 2.046 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ncccc3C)C[C@H]21 ZINC001042008236 811232195 /nfs/dbraw/zinc/23/21/95/811232195.db2.gz SLKBGFKVSLNIQC-LSDHHAIUSA-N 0 3 285.391 2.112 20 30 CEEDHN C#CCCN1CC[C@H]2CCN(C(=O)c3cc(C)co3)C[C@H]21 ZINC001042193482 811253463 /nfs/dbraw/zinc/25/34/63/811253463.db2.gz NWWYQAIIHQATIR-LSDHHAIUSA-N 0 3 286.375 2.148 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cc4c([nH]3)CCC4)C[C@@H]21 ZINC001042308963 811268746 /nfs/dbraw/zinc/26/87/46/811268746.db2.gz ICZFKZHMTMSGEZ-GUYCJALGSA-N 0 3 299.418 2.226 20 30 CEEDHN Cc1ccc(C(=O)NCCNCc2ccc(C#N)cc2)s1 ZINC001122715568 815437881 /nfs/dbraw/zinc/43/78/81/815437881.db2.gz JIQYPINHTSVGCF-UHFFFAOYSA-N 0 3 299.399 2.448 20 30 CEEDHN C[C@@H](C(=O)NCCCNCc1ccccc1C#N)C1CC1 ZINC001156250135 811380185 /nfs/dbraw/zinc/38/01/85/811380185.db2.gz OYALGDDQSKZIIX-CYBMUJFWSA-N 0 3 285.391 2.200 20 30 CEEDHN CO/N=C/c1cc(-n2ccc([C@H](C)N)n2)cc(F)c1F ZINC001169235174 811430722 /nfs/dbraw/zinc/43/07/22/811430722.db2.gz RTRZWKXEQHDOOT-TXQWPAICSA-N 0 3 280.278 2.151 20 30 CEEDHN CO/N=C/c1cc(-n2ccc([C@@H](C)N)n2)cc(F)c1F ZINC001169235173 811430769 /nfs/dbraw/zinc/43/07/69/811430769.db2.gz RTRZWKXEQHDOOT-RAKXPMKDSA-N 0 3 280.278 2.151 20 30 CEEDHN N#CC1(c2ccc(-n3nncc3CN)cc2)CCCCC1 ZINC001169310217 811484221 /nfs/dbraw/zinc/48/42/21/811484221.db2.gz PVNWGSBZOYFHBD-UHFFFAOYSA-N 0 3 281.363 2.451 20 30 CEEDHN CCN(CC)C(=O)C[C@H](C)NCc1ccc(F)c(C#N)c1 ZINC001169443494 811511479 /nfs/dbraw/zinc/51/14/79/811511479.db2.gz HITILKHQTFKYBM-LBPRGKRZSA-N 0 3 291.370 2.434 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC001045394513 811605982 /nfs/dbraw/zinc/60/59/82/811605982.db2.gz OZAHETWBOHSFRT-WDNDVIMCSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)C2C=CC=CC=C2)CC1 ZINC001045450552 811612869 /nfs/dbraw/zinc/61/28/69/811612869.db2.gz DBRCCGVRSLLXPE-UHFFFAOYSA-N 0 3 272.392 2.442 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2c(C)[nH]nc2Cl)CC1 ZINC001045457924 811614247 /nfs/dbraw/zinc/61/42/47/811614247.db2.gz RKYXALANLXQLIK-UHFFFAOYSA-N 0 3 296.802 2.142 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2CCC2(F)F)CC1 ZINC001045475205 811616684 /nfs/dbraw/zinc/61/66/84/811616684.db2.gz GCSGZSSRGWJCAL-NSHDSACASA-N 0 3 272.339 2.188 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2ccc3n[nH]cc3c2)CC1 ZINC001045537005 811621953 /nfs/dbraw/zinc/62/19/53/811621953.db2.gz MUFUWQBLQPPETJ-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2coc(C3CC3)n2)CC1 ZINC001045581507 811628927 /nfs/dbraw/zinc/62/89/27/811628927.db2.gz YXKADNOKIXLQHJ-UHFFFAOYSA-N 0 3 289.379 2.322 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1cc[nH]c1C)C2 ZINC001045930924 811666225 /nfs/dbraw/zinc/66/62/25/811666225.db2.gz QGYXQVBCDVKQFA-GOSISDBHSA-N 0 3 299.418 2.275 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](F)CC)C2 ZINC001045957810 811670420 /nfs/dbraw/zinc/67/04/20/811670420.db2.gz FXJOZLOCPZEKEX-RDJZCZTQSA-N 0 3 294.414 2.462 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2cccc(F)c2)C1 ZINC001046111175 811687669 /nfs/dbraw/zinc/68/76/69/811687669.db2.gz MWNROUHVAOICKE-INIZCTEOSA-N 0 3 274.339 2.043 20 30 CEEDHN CCCN(CCC#N)[C@@H]1CCCC2(C1)OCCO2 ZINC001169950130 811723729 /nfs/dbraw/zinc/72/37/29/811723729.db2.gz RNOKBLMJPPCBGM-CYBMUJFWSA-N 0 3 252.358 2.298 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)c2ccn3c2CCCC3)C1 ZINC001046381297 811746170 /nfs/dbraw/zinc/74/61/70/811746170.db2.gz ONZXFUUGKZLJPH-KRWDZBQOSA-N 0 3 287.407 2.205 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc3cccn3cn2)C1 ZINC001046417108 811752545 /nfs/dbraw/zinc/75/25/45/811752545.db2.gz JEARZTHDAQJUCY-KRWDZBQOSA-N 0 3 298.390 2.105 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc(Cl)cn2C)C1 ZINC001046465586 811758828 /nfs/dbraw/zinc/75/88/28/811758828.db2.gz PYVJJSNRQRQIHY-OAHLLOKOSA-N 0 3 295.814 2.449 20 30 CEEDHN C#Cc1cncc(C(=O)N[C@@]2(C)CCN(CC=C(C)C)C2)c1 ZINC001046603867 811782481 /nfs/dbraw/zinc/78/24/81/811782481.db2.gz DSAPAUANKJQPST-SFHVURJKSA-N 0 3 297.402 2.223 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccn(C)c2C)C1 ZINC001046603143 811783255 /nfs/dbraw/zinc/78/32/55/811783255.db2.gz VDYNYKGLPFGAGG-MRXNPFEDSA-N 0 3 275.396 2.104 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001046686636 811800765 /nfs/dbraw/zinc/80/07/65/811800765.db2.gz GBJKGWXERQHARC-LZWOXQAQSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(CC)CC)C2 ZINC001108959367 811802278 /nfs/dbraw/zinc/80/22/78/811802278.db2.gz QSWIMDYJXUIWEB-PMPSAXMXSA-N 0 3 294.439 2.347 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2csc(C)c2)C1 ZINC001046704078 811803942 /nfs/dbraw/zinc/80/39/42/811803942.db2.gz MWRATBVZDHOSFD-OAHLLOKOSA-N 0 3 276.405 2.274 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccccc2OC)C1 ZINC001046789927 811818260 /nfs/dbraw/zinc/81/82/60/811818260.db2.gz VWPLUKVINHGDIP-KRWDZBQOSA-N 0 3 288.391 2.466 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CSC)C2 ZINC001109075815 811819771 /nfs/dbraw/zinc/81/97/71/811819771.db2.gz DENVLACAMQVKQM-MQYQWHSLSA-N 0 3 282.453 2.283 20 30 CEEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)C(C)(C)C)C2 ZINC001109099458 811821142 /nfs/dbraw/zinc/82/11/42/811821142.db2.gz RSMPCFVWWCNCNG-RDBSUJKOSA-N 0 3 292.423 2.289 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CCC)C2 ZINC001109093733 811823140 /nfs/dbraw/zinc/82/31/40/811823140.db2.gz COPXAMGBTHQGDL-KBXIAJHMSA-N 0 3 262.397 2.167 20 30 CEEDHN C=CCCN1CC[C@](C)(NC(=O)c2cnc(CC)s2)C1 ZINC001046870017 811832525 /nfs/dbraw/zinc/83/25/25/811832525.db2.gz SJJSQVTUAXPRQZ-HNNXBMFYSA-N 0 3 293.436 2.476 20 30 CEEDHN C#CCN1CCC([C@H]2CCCN(C(=O)c3cc[nH]c3)C2)CC1 ZINC001047238752 811871944 /nfs/dbraw/zinc/87/19/44/811871944.db2.gz JJLHFALAHNFZKS-KRWDZBQOSA-N 0 3 299.418 2.212 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(C)(F)F)C2 ZINC001109460780 811894435 /nfs/dbraw/zinc/89/44/35/811894435.db2.gz ZDSVNGYCDDLAAI-AGIUHOORSA-N 0 3 284.350 2.167 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(=C)C)C2 ZINC001109596621 811912816 /nfs/dbraw/zinc/91/28/16/811912816.db2.gz YKKNMLCPJLAJLB-ILXRZTDVSA-N 0 3 274.408 2.334 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](CC)OC ZINC001109604331 811915066 /nfs/dbraw/zinc/91/50/66/811915066.db2.gz DLFPLAYAARUTMU-QPSCCSFWSA-N 0 3 294.439 2.345 20 30 CEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(C)C)C2 ZINC001109784723 811945085 /nfs/dbraw/zinc/94/50/85/811945085.db2.gz WHTBWYMJWSXSPN-FZKCQIBNSA-N 0 3 294.439 2.203 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3sccc3C)C[C@@H]2C1 ZINC001048652850 812003491 /nfs/dbraw/zinc/00/34/91/812003491.db2.gz YPENWEFJMZUDJV-OKILXGFUSA-N 0 3 288.416 2.084 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)no1)C2 ZINC001096398476 812004376 /nfs/dbraw/zinc/00/43/76/812004376.db2.gz CCRKORKAXLVVGA-VWYCJHECSA-N 0 3 295.770 2.239 20 30 CEEDHN C=CCC[C@H](C)N1CCN(C(=O)CC2(OC)CCC2)CC1 ZINC001112812053 812074355 /nfs/dbraw/zinc/07/43/55/812074355.db2.gz IFTSSUVAMMVBFZ-HNNXBMFYSA-N 0 3 294.439 2.445 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cccc(C(C)C)c3)C[C@@H]2C1 ZINC001049152720 812079807 /nfs/dbraw/zinc/07/98/07/812079807.db2.gz ZESQFJVYWZJWMP-HDICACEKSA-N 0 3 296.414 2.447 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)c3cc(C)ccc3C)C[C@@H]2C1 ZINC001049189579 812084983 /nfs/dbraw/zinc/08/49/83/812084983.db2.gz RPUWVWUPCUFMFD-CALCHBBNSA-N 0 3 296.414 2.331 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc4ccccc4o3)C[C@@H]2C1 ZINC001049201837 812086008 /nfs/dbraw/zinc/08/60/08/812086008.db2.gz SXRWDHHQGQTOAN-GASCZTMLSA-N 0 3 294.354 2.070 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@]3(C)CC=C(C)CC3)C[C@@H]2C1 ZINC001049227765 812089362 /nfs/dbraw/zinc/08/93/62/812089362.db2.gz MODOFUFPQBDRGS-JZXOWHBKSA-N 0 3 286.419 2.146 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1C=CCC1 ZINC001049312235 812115799 /nfs/dbraw/zinc/11/57/99/812115799.db2.gz DDYSKIQNUPBGKV-YESZJQIVSA-N 0 3 286.419 2.431 20 30 CEEDHN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C)no1 ZINC001049320310 812116939 /nfs/dbraw/zinc/11/69/39/812116939.db2.gz HSBPRGVWUGAFOQ-UONOGXRCSA-N 0 3 289.379 2.238 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC(C)C1 ZINC001049411742 812141182 /nfs/dbraw/zinc/14/11/82/812141182.db2.gz KNGXNNUNUQHITD-SSHXOBKSSA-N 0 3 274.408 2.121 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC(C)C1 ZINC001049411741 812141457 /nfs/dbraw/zinc/14/14/57/812141457.db2.gz KNGXNNUNUQHITD-QDIHITRGSA-N 0 3 274.408 2.121 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1cncc(C)c1 ZINC001049617121 812173836 /nfs/dbraw/zinc/17/38/36/812173836.db2.gz HPTOTQANEZGTHX-IRXDYDNUSA-N 0 3 299.418 2.184 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](F)C(C)C ZINC001049656832 812183529 /nfs/dbraw/zinc/18/35/29/812183529.db2.gz ZRJMPJJLNQIDRE-MCIONIFRSA-N 0 3 268.376 2.232 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn(C)c1C ZINC001049712711 812196658 /nfs/dbraw/zinc/19/66/58/812196658.db2.gz UQIJCSZVOGIIMT-CVEARBPZSA-N 0 3 287.407 2.198 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC12CCC2 ZINC001049756745 812206100 /nfs/dbraw/zinc/20/61/00/812206100.db2.gz XBTUOZZPMCKZKK-RRFJBIMHSA-N 0 3 274.408 2.428 20 30 CEEDHN CCC(=O)N1CCC[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001049942003 812234660 /nfs/dbraw/zinc/23/46/60/812234660.db2.gz SZNDDGSVQIVSFV-DLBZAZTESA-N 0 3 297.402 2.391 20 30 CEEDHN C=CCC[C@@H](C)N1CCN(C(=O)C[C@@H](C)COC)CC1 ZINC001113484851 812256780 /nfs/dbraw/zinc/25/67/80/812256780.db2.gz ULPVTEOIWRXUHP-HUUCEWRRSA-N 0 3 282.428 2.158 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCOCC1)C2 ZINC001097019903 812314878 /nfs/dbraw/zinc/31/48/78/812314878.db2.gz SCNUFVQZCDDISN-JJXSEGSLSA-N 0 3 292.423 2.101 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC13CC3)C2 ZINC001097324293 812355620 /nfs/dbraw/zinc/35/56/20/812355620.db2.gz UAIXHAOREFXRKT-QXSJWSMHSA-N 0 3 286.419 2.312 20 30 CEEDHN C=CC(=NCOC)NCC1CCN(C(=O)C(C)(C)C)CC1 ZINC001170349114 812398645 /nfs/dbraw/zinc/39/86/45/812398645.db2.gz 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/nfs/dbraw/zinc/08/57/70/814085770.db2.gz XHZMPQRRKZORCL-LBPRGKRZSA-N 0 3 282.347 2.078 20 30 CEEDHN C#Cc1ccc(CN2C[C@@H](OCC)[C@H]3OCCC[C@H]32)cc1 ZINC001144568620 814118256 /nfs/dbraw/zinc/11/82/56/814118256.db2.gz AEFREHYHEXRUSN-KURKYZTESA-N 0 3 285.387 2.436 20 30 CEEDHN CC(=O)N[C@H]1CCCN([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171220479 814179980 /nfs/dbraw/zinc/17/99/80/814179980.db2.gz ALYAZEHAMCXGSF-DYVFJYSZSA-N 0 3 285.391 2.090 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1oc(CCC)nc1C ZINC001171251914 814227105 /nfs/dbraw/zinc/22/71/05/814227105.db2.gz RQFVPOSBEAJBLO-UHFFFAOYSA-N 0 3 299.802 2.398 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)/C=C(/C)CC)C[C@]2(C)C1 ZINC001101228173 814236255 /nfs/dbraw/zinc/23/62/55/814236255.db2.gz QPOXYICCGCHKAO-YLOBKTRHSA-N 0 3 274.408 2.146 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C(C)(C)CC=C)C[C@]2(C)C1 ZINC001101378200 814253420 /nfs/dbraw/zinc/25/34/20/814253420.db2.gz SBZCANNJLNEQJF-PBHICJAKSA-N 0 3 274.408 2.002 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H](C)CCC(C)(C)C ZINC001147791641 814497439 /nfs/dbraw/zinc/49/74/39/814497439.db2.gz PXTDEYTWUIFWOH-ZDUSSCGKSA-N 0 3 252.402 2.178 20 30 CEEDHN C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CCN(CC#CC)C2 ZINC001148094755 814523178 /nfs/dbraw/zinc/52/31/78/814523178.db2.gz APOGSKOXFGDOHY-GJZGRUSLSA-N 0 3 274.408 2.002 20 30 CEEDHN C=C[C@H](CC)CC(=O)N1CC2(C1)CCN(CC#CC)C2 ZINC001148125472 814528691 /nfs/dbraw/zinc/52/86/91/814528691.db2.gz NLMLLLYELSNFCG-OAHLLOKOSA-N 0 3 274.408 2.146 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CC2(C1)CCN(CC#CC)C2 ZINC001148128981 814529501 /nfs/dbraw/zinc/52/95/01/814529501.db2.gz CMQGGDODYGXKQW-HNNXBMFYSA-N 0 3 274.408 2.146 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C(C)(C)CCC)C2)C1 ZINC001148193685 814530972 /nfs/dbraw/zinc/53/09/72/814530972.db2.gz CZGUPLCIOFVKQR-UHFFFAOYSA-N 0 3 276.424 2.370 20 30 CEEDHN C=CCOc1ccc(C(=O)N[C@]2(C)CCCN(C)C2)cc1 ZINC001148470438 814566548 /nfs/dbraw/zinc/56/65/48/814566548.db2.gz PXRQXHBLLJMXMA-QGZVFWFLSA-N 0 3 288.391 2.466 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC(C)(C)C)C1 ZINC001111591532 814586639 /nfs/dbraw/zinc/58/66/39/814586639.db2.gz SAZYFNSJXFFXRV-YOEHRIQHSA-N 0 3 276.424 2.417 20 30 CEEDHN Cc1cc(NC(=O)[C@H](N)CCCC#N)cnc1Cl ZINC000691598876 814596084 /nfs/dbraw/zinc/59/60/84/814596084.db2.gz KNBCZUGFQJEOKV-SNVBAGLBSA-N 0 3 266.732 2.003 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000781978721 814611383 /nfs/dbraw/zinc/61/13/83/814611383.db2.gz SBYVKNIISZKWTM-CYBMUJFWSA-N 0 3 298.427 2.303 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@H]2CN(CC#CC)C[C@@]2(C)C1 ZINC001091919140 814677075 /nfs/dbraw/zinc/67/70/75/814677075.db2.gz WUWOJUJMOPGKBD-PBHICJAKSA-N 0 3 274.408 2.002 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)C3CCCC3)C[C@]2(C)C1 ZINC001092188289 814692735 /nfs/dbraw/zinc/69/27/35/814692735.db2.gz NIEHDHFMONXKDL-LESCRADOSA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc(C)cc(C)c3)C[C@]2(C)C1 ZINC001092228541 814696453 /nfs/dbraw/zinc/69/64/53/814696453.db2.gz 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IFLLYMOWLYSCKS-AAEUAGOBSA-N 0 3 288.819 2.040 20 30 CEEDHN C#Cc1ccccc1CC(=O)NCCCNCC(=C)Cl ZINC001174674496 816061872 /nfs/dbraw/zinc/06/18/72/816061872.db2.gz WKMRWXXKVOUYBJ-UHFFFAOYSA-N 0 3 290.794 2.059 20 30 CEEDHN C=CCn1cc(CN2CC[C@H]3O[C@@H](C)C[C@H]3C2)cn1 ZINC001139769357 816110834 /nfs/dbraw/zinc/11/08/34/816110834.db2.gz AKDAZHRDOGNVSA-AEGPPILISA-N 0 3 261.369 2.068 20 30 CEEDHN CN(CCN1CCC(CC#N)CC1)C(=O)OC(C)(C)C ZINC001202997104 816177668 /nfs/dbraw/zinc/17/76/68/816177668.db2.gz JQKDPPPEJYJJMV-UHFFFAOYSA-N 0 3 281.400 2.479 20 30 CEEDHN C#CC1CCN(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001203001145 816188172 /nfs/dbraw/zinc/18/81/72/816188172.db2.gz UQWBSVCVPUMSTD-UHFFFAOYSA-N 0 3 266.385 2.199 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)Cc1ccccc1OC ZINC001175456507 816213513 /nfs/dbraw/zinc/21/35/13/816213513.db2.gz FOTSMGBDZCNHGR-UHFFFAOYSA-N 0 3 296.798 2.086 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)C[C@H]1CCCO1 ZINC001177231085 816534364 /nfs/dbraw/zinc/53/43/64/816534364.db2.gz ZUZRNHUHZGPOJU-WCQYABFASA-N 0 3 288.819 2.040 20 30 CEEDHN C[C@@H](CC(F)(F)F)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000838790114 816552459 /nfs/dbraw/zinc/55/24/59/816552459.db2.gz DLMQZPXFSGZMSF-DTWKUNHWSA-N 0 3 299.252 2.317 20 30 CEEDHN Cc1c(NC(=O)C(C#N)Cc2cccs2)ncn1C ZINC001177903615 816639187 /nfs/dbraw/zinc/63/91/87/816639187.db2.gz JAALNKBTIVPGAS-JTQLQIEISA-N 0 3 274.349 2.111 20 30 CEEDHN N#CC(Cc1cccs1)C(=O)Nc1ncccc1N ZINC001177904353 816640576 /nfs/dbraw/zinc/64/05/76/816640576.db2.gz OPYXSPBMTIQTEB-VIFPVBQESA-N 0 3 272.333 2.046 20 30 CEEDHN C#C[C@@H](CCC)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000229971636 816668491 /nfs/dbraw/zinc/66/84/91/816668491.db2.gz TYZMGWGKJLMHIW-JSGCOSHPSA-N 0 3 262.309 2.020 20 30 CEEDHN C=CCN1CCC(N[C@@H](C)c2nccn2CC)CC1 ZINC000297787964 260133961 /nfs/dbraw/zinc/13/39/61/260133961.db2.gz PWLSGDJYXUSNJJ-ZDUSSCGKSA-N 0 3 262.401 2.204 20 30 CEEDHN CC(C)(C)OC(=O)[C@@H]1CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000407990730 260153780 /nfs/dbraw/zinc/15/37/80/260153780.db2.gz OWJWKHWRKHOWRR-UPJWGTAASA-N 0 3 264.369 2.342 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCCN(c3ccccn3)C2)o1 ZINC000121714429 365605591 /nfs/dbraw/zinc/60/55/91/365605591.db2.gz VCGRRJCECKNVTD-ZDUSSCGKSA-N 0 3 282.347 2.305 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCC2CC(C)C2)CC1 ZINC000621417226 349598159 /nfs/dbraw/zinc/59/81/59/349598159.db2.gz RBVKYXCJRWVRIR-UHFFFAOYSA-N 0 3 279.428 2.372 20 30 CEEDHN CCC#C[C@@H](C)N(C)C[C@H](O)COCc1ccccc1 ZINC000677048261 539183424 /nfs/dbraw/zinc/18/34/24/539183424.db2.gz SQUAOIZABVXCDY-WBVHZDCISA-N 0 3 275.392 2.298 20 30 CEEDHN N#CCSCCCN1CCC(NC(=O)C2CCC2)CC1 ZINC000080628122 344017487 /nfs/dbraw/zinc/01/74/87/344017487.db2.gz RQZCXHMWGLRCAZ-UHFFFAOYSA-N 0 3 295.452 2.014 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CCn2cccc2)CC1 ZINC000073436886 539219039 /nfs/dbraw/zinc/21/90/39/539219039.db2.gz FQQBWYXHJBEWOQ-UHFFFAOYSA-N 0 3 275.396 2.035 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000675156415 539229299 /nfs/dbraw/zinc/22/92/99/539229299.db2.gz HULJFDXBGKPCCU-OAHLLOKOSA-N 0 3 262.397 2.355 20 30 CEEDHN CCC1(CC)[C@H](N(C)CC#CCOC)C[C@@H]1OC ZINC000677819319 539270029 /nfs/dbraw/zinc/27/00/29/539270029.db2.gz XSXTXEKRRGNKJD-KGLIPLIRSA-N 0 3 253.386 2.162 20 30 CEEDHN N#Cc1ccc([C@H](N[C@@H]2CCCC23CC3)C(N)=O)cc1 ZINC000601933867 346931003 /nfs/dbraw/zinc/93/10/03/346931003.db2.gz KGHINNNMJBLWIO-KGLIPLIRSA-N 0 3 269.348 2.007 20 30 CEEDHN CCc1nc(C(=O)N[C@H](C)C2=CCN(C)CC2)co1 ZINC000330109545 529704768 /nfs/dbraw/zinc/70/47/68/529704768.db2.gz PHTNZUYMMSXZII-SNVBAGLBSA-N 0 3 263.341 2.192 20 30 CEEDHN C=CCNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000042925507 343457586 /nfs/dbraw/zinc/45/75/86/343457586.db2.gz HRURCQLINPZSJS-UHFFFAOYSA-N 0 3 287.407 2.445 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000052869916 343567344 /nfs/dbraw/zinc/56/73/44/343567344.db2.gz DRPQJIBJBQKPMY-ZIAGYGMSSA-N 0 3 252.402 2.389 20 30 CEEDHN CN(CCc1ccc(C#N)cc1)[C@H]1CCCCN(C)C1=O ZINC000601973009 346947188 /nfs/dbraw/zinc/94/71/88/346947188.db2.gz BMCNJWCDPOPDAW-INIZCTEOSA-N 0 3 285.391 2.043 20 30 CEEDHN C[C@@](C#N)(NC(=O)CN1CCC[C@@H]1C1CCCC1)C1CC1 ZINC000055927882 343611032 /nfs/dbraw/zinc/61/10/32/343611032.db2.gz PIPOQFSPERRUER-WBVHZDCISA-N 0 3 289.423 2.449 20 30 CEEDHN C=CCOc1ccc(C(=O)NC[C@@H](C)N(C)C2CC2)cc1 ZINC000057711030 343635439 /nfs/dbraw/zinc/63/54/39/343635439.db2.gz NNCKBAXHCWCHLB-CYBMUJFWSA-N 0 3 288.391 2.464 20 30 CEEDHN CCOC(=O)CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000058398212 343643886 /nfs/dbraw/zinc/64/38/86/343643886.db2.gz FIXNGQUHDGIKAW-UHFFFAOYSA-N 0 3 272.348 2.476 20 30 CEEDHN CN(CCCN1CCCC1=O)Cc1cccc(C#N)c1 ZINC000064140933 343686890 /nfs/dbraw/zinc/68/68/90/343686890.db2.gz ISSOHQJANOARMX-UHFFFAOYSA-N 0 3 271.364 2.003 20 30 CEEDHN C=CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000067704570 343742344 /nfs/dbraw/zinc/74/23/44/343742344.db2.gz URAGZOAJRLLAFM-AWEZNQCLSA-N 0 3 261.369 2.083 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccccc2COC)CC1 ZINC000067164856 343731235 /nfs/dbraw/zinc/73/12/35/343731235.db2.gz SHRPFCMJYKCJDC-UHFFFAOYSA-N 0 3 286.375 2.117 20 30 CEEDHN CN(CC(=O)N1CCC[C@](C)(C#N)C1)CC(C)(C)C ZINC000602137252 346981290 /nfs/dbraw/zinc/98/12/90/346981290.db2.gz WMIXLCYDEVHKEP-OAHLLOKOSA-N 0 3 265.401 2.117 20 30 CEEDHN CC[C@](C)(C#N)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000073225352 343825217 /nfs/dbraw/zinc/82/52/17/343825217.db2.gz HDSBWQDZHNNDCQ-TZMCWYRMSA-N 0 3 251.374 2.059 20 30 CEEDHN CN(CC(=O)NCc1ccc(C#N)c(F)c1)CC(C)(C)C ZINC000602159180 346984445 /nfs/dbraw/zinc/98/44/45/346984445.db2.gz PYJOYTFQPDTQMB-UHFFFAOYSA-N 0 3 291.370 2.291 20 30 CEEDHN N#CC[C@@H]1CCCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000602177013 346989407 /nfs/dbraw/zinc/98/94/07/346989407.db2.gz BPQHWVNYDYFGAT-ZFWWWQNUSA-N 0 3 275.396 2.156 20 30 CEEDHN C[C@H](CN(C)C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000351549306 219122829 /nfs/dbraw/zinc/12/28/29/219122829.db2.gz ARJZRLNLCLTRBG-LLVKDONJSA-N 0 3 291.399 2.186 20 30 CEEDHN N#Cc1ccc(F)c(CN2CCN(CC3CC3)CC2)c1 ZINC000048336409 362257300 /nfs/dbraw/zinc/25/73/00/362257300.db2.gz QKRFADQDOKPIJD-UHFFFAOYSA-N 0 3 273.355 2.225 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)N(C)C[C@@H](C)C#N ZINC000077644953 343927881 /nfs/dbraw/zinc/92/78/81/343927881.db2.gz AVDGQNIVOOVSGQ-UONOGXRCSA-N 0 3 280.416 2.052 20 30 CEEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC1)N1CCCCCC1 ZINC000081288791 344044807 /nfs/dbraw/zinc/04/48/07/344044807.db2.gz VOYBHWVJYCXNEK-ZDUSSCGKSA-N 0 3 263.385 2.156 20 30 CEEDHN C=CCNC(=O)CN[C@@H](C)c1cc(C)c(OC)cc1C ZINC000273182253 192068148 /nfs/dbraw/zinc/06/81/48/192068148.db2.gz FITVKMQWRSVKMK-ZDUSSCGKSA-N 0 3 276.380 2.265 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC000091507011 344166058 /nfs/dbraw/zinc/16/60/58/344166058.db2.gz JAIKWCGUNQDTBH-HZPDHXFCSA-N 0 3 295.471 2.264 20 30 CEEDHN C=CCCC[C@H](C)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000091515324 344166260 /nfs/dbraw/zinc/16/62/60/344166260.db2.gz MUEZXQFMIWXYQF-GJZGRUSLSA-N 0 3 293.455 2.016 20 30 CEEDHN C=CCCC[C@H](C)N1CCN([C@@H](CC)CO)CC1 ZINC000091512614 344166514 /nfs/dbraw/zinc/16/65/14/344166514.db2.gz SBGGHIVIISMNLR-GJZGRUSLSA-N 0 3 254.418 2.120 20 30 CEEDHN C[C@@H](CCC#N)CN1CCN(Cc2ccco2)CC1 ZINC000602430765 347030223 /nfs/dbraw/zinc/03/02/23/347030223.db2.gz QDVJGVHCAGGQKV-AWEZNQCLSA-N 0 3 261.369 2.337 20 30 CEEDHN CS[C@H]1CN(c2ccc(Cl)c(C#N)n2)C[C@H]1N(C)C ZINC000270384504 190666285 /nfs/dbraw/zinc/66/62/85/190666285.db2.gz QSFYOIIXCQMEDA-NEPJUHHUSA-N 0 3 296.827 2.088 20 30 CEEDHN C=CCc1cc(CN(CCO)CC2CC2)cc(OC)c1O ZINC000092505957 344192658 /nfs/dbraw/zinc/19/26/58/344192658.db2.gz AVOZOPFRXMXVDD-UHFFFAOYSA-N 0 3 291.391 2.334 20 30 CEEDHN N#Cc1cccc(CN2CCC(c3ncc[nH]3)CC2)n1 ZINC000602454256 347039949 /nfs/dbraw/zinc/03/99/49/347039949.db2.gz QPPSGMNDXSOJKU-UHFFFAOYSA-N 0 3 267.336 2.056 20 30 CEEDHN CC(C)(C#N)CCN1CCC[C@@H](N2CCCC2=O)C1 ZINC000119649566 344296646 /nfs/dbraw/zinc/29/66/46/344296646.db2.gz VEQOFCMQRRAVRN-CYBMUJFWSA-N 0 3 263.385 2.013 20 30 CEEDHN N#C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000108832741 344266286 /nfs/dbraw/zinc/26/62/86/344266286.db2.gz XWTMITOEDIFYNE-INIZCTEOSA-N 0 3 283.375 2.314 20 30 CEEDHN C[C@@H](CO)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000120849224 344300615 /nfs/dbraw/zinc/30/06/15/344300615.db2.gz FRSUTCOUKNEJIH-CYBMUJFWSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@@H](CCn1cccn1)NCc1ccc(C#N)cc1F ZINC000158828044 344452774 /nfs/dbraw/zinc/45/27/74/344452774.db2.gz RQWMFWKGYUDRGI-LBPRGKRZSA-N 0 3 272.327 2.462 20 30 CEEDHN Cc1nsc(N[C@@H]2CCN(C)[C@H](C)C2)c1C#N ZINC000159149628 344453833 /nfs/dbraw/zinc/45/38/33/344453833.db2.gz IPLWSUHHRLYVOU-PSASIEDQSA-N 0 3 250.371 2.218 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN(CCO)Cc2ccccc2)cc1 ZINC000207573049 344529242 /nfs/dbraw/zinc/52/92/42/344529242.db2.gz JCUWPEAUNDSIOF-SFHVURJKSA-N 0 3 296.370 2.086 20 30 CEEDHN CCN1CCN(Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000229386240 344567067 /nfs/dbraw/zinc/56/70/67/344567067.db2.gz UKEILXLZKMBAER-LBPRGKRZSA-N 0 3 261.344 2.223 20 30 CEEDHN COC(=O)[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)C[C@H]1C ZINC000280690107 344674769 /nfs/dbraw/zinc/67/47/69/344674769.db2.gz HNSMSFYBSAONJC-LALPHHSUSA-N 0 3 272.348 2.360 20 30 CEEDHN C[C@@H](NCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1 ZINC000313880101 344744051 /nfs/dbraw/zinc/74/40/51/344744051.db2.gz HHODTWWFHSZUMH-RBSFLKMASA-N 0 3 287.407 2.318 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCC(C1CCC1)C1CCC1 ZINC000602535136 347069295 /nfs/dbraw/zinc/06/92/95/347069295.db2.gz XWWBJMQNYUHBFJ-OAHLLOKOSA-N 0 3 277.412 2.340 20 30 CEEDHN CCC(NC(=O)[C@@H](N)CCCC#N)(C1CC1)C1CC1 ZINC000602535980 347069589 /nfs/dbraw/zinc/06/95/89/347069589.db2.gz UJVGGUSTGQWGAV-ZDUSSCGKSA-N 0 3 263.385 2.093 20 30 CEEDHN C=CCOCCN(CCOC)CCc1ccccc1 ZINC000293013036 344690368 /nfs/dbraw/zinc/69/03/68/344690368.db2.gz HPYZYUIDIDEADP-UHFFFAOYSA-N 0 3 263.381 2.380 20 30 CEEDHN COc1cccc([C@H](CNc2ncncc2C#N)N(C)C)c1 ZINC000320634838 344752832 /nfs/dbraw/zinc/75/28/32/344752832.db2.gz CMRQGISDVJCPIO-HNNXBMFYSA-N 0 3 297.362 2.072 20 30 CEEDHN C=CC1CCN(Cc2cnc(-c3cnn(C)c3)nc2)CC1 ZINC000365425878 344813637 /nfs/dbraw/zinc/81/36/37/344813637.db2.gz YHHGIPQCKXLEOF-UHFFFAOYSA-N 0 3 283.379 2.275 20 30 CEEDHN CC(C)C[C@H](CCO)CNCc1cccc(C#N)n1 ZINC000602561875 347078713 /nfs/dbraw/zinc/07/87/13/347078713.db2.gz QIMNBQVBDVUGRX-ZDUSSCGKSA-N 0 3 261.369 2.088 20 30 CEEDHN C=CC[C@@H](C)NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418641130 344894175 /nfs/dbraw/zinc/89/41/75/344894175.db2.gz RYKPLBKCWCQHMD-DOMZBBRYSA-N 0 3 273.380 2.137 20 30 CEEDHN CC1(C)CN(C[C@H](O)c2ccc(C#N)cc2)CCS1 ZINC000127308813 187295670 /nfs/dbraw/zinc/29/56/70/187295670.db2.gz BHUHJECNEIJUAF-AWEZNQCLSA-N 0 3 276.405 2.419 20 30 CEEDHN CN(C(=O)CCCCCC#N)[C@H]1CCN(C2CC2)C1 ZINC000588648338 345049268 /nfs/dbraw/zinc/04/92/68/345049268.db2.gz JJAAZBBFQQRGAP-AWEZNQCLSA-N 0 3 263.385 2.156 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)CCCCCC#N ZINC000588265569 345044355 /nfs/dbraw/zinc/04/43/55/345044355.db2.gz MGZBNPIGLXBSKU-CYBMUJFWSA-N 0 3 251.374 2.061 20 30 CEEDHN CC(C)(C)N1CCCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590194671 345120756 /nfs/dbraw/zinc/12/07/56/345120756.db2.gz CRXNRHOEIBTQGE-UHFFFAOYSA-N 0 3 263.385 2.013 20 30 CEEDHN CN(C)CCN(Cc1ccccc1)C(=O)CC1(C#N)CC1 ZINC000590187763 345120873 /nfs/dbraw/zinc/12/08/73/345120873.db2.gz YJDIEGSGGOOMBM-UHFFFAOYSA-N 0 3 285.391 2.271 20 30 CEEDHN COC(=O)[C@@H](C)N(C[C@H](C)CCC#N)C1CCC1 ZINC000589823007 345100066 /nfs/dbraw/zinc/10/00/66/345100066.db2.gz UREYDJWVAHRYEO-VXGBXAGGSA-N 0 3 252.358 2.342 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C/c2cnccc2C)CC1 ZINC000273246147 192086088 /nfs/dbraw/zinc/08/60/88/192086088.db2.gz YDRDQAZTWQREHU-SNAWJCMRSA-N 0 3 285.391 2.170 20 30 CEEDHN N#Cc1cccc(OCCN2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972448 345208444 /nfs/dbraw/zinc/20/84/44/345208444.db2.gz VQYKENCLLCRBQU-ZBFHGGJFSA-N 0 3 272.348 2.048 20 30 CEEDHN CN1CC[C@@H](NCc2ccncc2C#N)[C@@H]1c1ccccc1 ZINC000592119845 345324639 /nfs/dbraw/zinc/32/46/39/345324639.db2.gz AVRDOUMCAWDIHH-MSOLQXFVSA-N 0 3 292.386 2.488 20 30 CEEDHN N#Cc1cnccc1CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000592084919 345320545 /nfs/dbraw/zinc/32/05/45/345320545.db2.gz WRTLZEQFAPPPQN-MAUKXSAKSA-N 0 3 296.418 2.402 20 30 CEEDHN C[C@@H]1c2ccccc2CN1C(=O)[C@@H](N)CCCC#N ZINC000591615177 345269423 /nfs/dbraw/zinc/26/94/23/345269423.db2.gz XADLLRNQYSTZPO-RISCZKNCSA-N 0 3 257.337 2.111 20 30 CEEDHN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC[C@H](C#N)CCC#N)C1 ZINC000591742746 345276618 /nfs/dbraw/zinc/27/66/18/345276618.db2.gz BJSJRFZDVMFKDR-RRFJBIMHSA-N 0 3 290.411 2.103 20 30 CEEDHN N#Cc1cnccc1CN1CCc2ccccc2[C@@H]1CN ZINC000592494991 345360134 /nfs/dbraw/zinc/36/01/34/345360134.db2.gz KFPPKYLRHILYGA-KRWDZBQOSA-N 0 3 278.359 2.011 20 30 CEEDHN Cc1cc(-n2ccnc2)ccc1CN1CC[C@](O)(CC#N)C1 ZINC000592152902 345330989 /nfs/dbraw/zinc/33/09/89/345330989.db2.gz GMAFTFBBFNUFTP-QGZVFWFLSA-N 0 3 296.374 2.031 20 30 CEEDHN Cc1cccc(C)c1OCCCN1CC[C@@](O)(CC#N)C1 ZINC000592152226 345331093 /nfs/dbraw/zinc/33/10/93/345331093.db2.gz WEHAYGMDRVUJDJ-KRWDZBQOSA-N 0 3 288.391 2.423 20 30 CEEDHN N#CC[C@@]1(O)CCN(CC2CCC(F)(F)CC2)C1 ZINC000592154937 345331515 /nfs/dbraw/zinc/33/15/15/345331515.db2.gz WQEOEWBRFMDSKQ-GFCCVEGCSA-N 0 3 258.312 2.162 20 30 CEEDHN C[C@H](CO)C1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000593085962 345436179 /nfs/dbraw/zinc/43/61/79/345436179.db2.gz YZCCOCFKVZGDSA-CQSZACIVSA-N 0 3 288.391 2.277 20 30 CEEDHN CCC(C#N)C(=O)NC1(C(=O)OC)CCC(CC)CC1 ZINC000593508940 345500940 /nfs/dbraw/zinc/50/09/40/345500940.db2.gz KESNYUOXVWLFIH-AVERBVTBSA-N 0 3 280.368 2.164 20 30 CEEDHN CN(CCN1CCCCC1)c1cc(C#N)ccc1[N+](=O)[O-] ZINC000593515325 345501421 /nfs/dbraw/zinc/50/14/21/345501421.db2.gz GBCQEMZHZJRDEP-UHFFFAOYSA-N 0 3 288.351 2.389 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000593398791 345476569 /nfs/dbraw/zinc/47/65/69/345476569.db2.gz FUKTYCBDIUDOGX-GDBMZVCRSA-N 0 3 285.391 2.489 20 30 CEEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCC#N)CCc2ccccc21 ZINC000593916750 345551788 /nfs/dbraw/zinc/55/17/88/345551788.db2.gz QSYJDAFWLZOCIH-CZUORRHYSA-N 0 3 285.391 2.196 20 30 CEEDHN N#Cc1ccc(C2(NCCn3ccccc3=O)CCC2)cc1 ZINC000594032155 345569905 /nfs/dbraw/zinc/56/99/05/345569905.db2.gz QDKPMIDCNGQGLH-UHFFFAOYSA-N 0 3 293.370 2.389 20 30 CEEDHN CCOCC[C@H](O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033507 345570053 /nfs/dbraw/zinc/57/00/53/345570053.db2.gz QOYYKPIUTYQIIR-INIZCTEOSA-N 0 3 288.391 2.315 20 30 CEEDHN CC(C)OC(=O)C[C@@H](NCc1ccc(C#N)cn1)C(C)C ZINC000594041949 345571660 /nfs/dbraw/zinc/57/16/60/345571660.db2.gz BCVJTIPBSOHIEH-OAHLLOKOSA-N 0 3 289.379 2.409 20 30 CEEDHN CCC[C@@]1(C(=O)OCC)CCCN1C(=O)C(C#N)CC ZINC000593656605 345517353 /nfs/dbraw/zinc/51/73/53/345517353.db2.gz HABDZIQIIBJGFY-WFASDCNBSA-N 0 3 280.368 2.261 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000594300500 345610215 /nfs/dbraw/zinc/61/02/15/345610215.db2.gz ABXKADVKHOZGPW-JKIFEVAISA-N 0 3 299.418 2.336 20 30 CEEDHN C[C@@H]1CCN(CC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000594356256 345615870 /nfs/dbraw/zinc/61/58/70/345615870.db2.gz TXIGYADANVVRAY-LLVKDONJSA-N 0 3 291.782 2.170 20 30 CEEDHN CCC(C#N)C(=O)NC[C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000594395222 345620741 /nfs/dbraw/zinc/62/07/41/345620741.db2.gz WMSNKBDMPXNKIE-NWDGAFQWSA-N 0 3 282.384 2.266 20 30 CEEDHN CC(C)N(C)CC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594404006 345621727 /nfs/dbraw/zinc/62/17/27/345621727.db2.gz RHDZTJNWETWCET-UHFFFAOYSA-N 0 3 285.391 2.394 20 30 CEEDHN CCN(CC)CC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594403687 345621973 /nfs/dbraw/zinc/62/19/73/345621973.db2.gz MQXMFCCZXMYKAT-UHFFFAOYSA-N 0 3 285.391 2.395 20 30 CEEDHN Cc1ccc([C@@H](NC(=O)C(C)C#N)C(F)(F)F)o1 ZINC000594405126 345622507 /nfs/dbraw/zinc/62/25/07/345622507.db2.gz YTMVLLFCGKKBPV-HZGVNTEJSA-N 0 3 260.215 2.467 20 30 CEEDHN Cc1cc([C@@H]2CCCN2C(=O)[C@@H](N)CCCCC#N)on1 ZINC000594424666 345625515 /nfs/dbraw/zinc/62/55/15/345625515.db2.gz HSOCAEHKNXZCCS-STQMWFEESA-N 0 3 290.367 2.058 20 30 CEEDHN CN(Cc1ccc(F)cc1)C(=O)[C@@H](N)CCCCC#N ZINC000594424980 345625553 /nfs/dbraw/zinc/62/55/53/345625553.db2.gz FOGWWTJRSSMEQE-AWEZNQCLSA-N 0 3 277.343 2.195 20 30 CEEDHN COc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1OC ZINC000594426981 345626359 /nfs/dbraw/zinc/62/63/59/345626359.db2.gz SAKGYXJAHBQXDU-GFCCVEGCSA-N 0 3 291.351 2.054 20 30 CEEDHN CN(CC1CCCCC1)C(=O)[C@@H](N)CCCCC#N ZINC000594429898 345628035 /nfs/dbraw/zinc/62/80/35/345628035.db2.gz SJKJXNAKJBUYLU-AWEZNQCLSA-N 0 3 265.401 2.436 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCc1ccc(Cl)s1 ZINC000594430045 345628100 /nfs/dbraw/zinc/62/81/00/345628100.db2.gz ZIOGKQHVEHLFKW-NSHDSACASA-N 0 3 299.827 2.471 20 30 CEEDHN C[C@@H](N(C)C(=O)[C@@H](N)CCCCC#N)C(C)(C)C ZINC000594430007 345628137 /nfs/dbraw/zinc/62/81/37/345628137.db2.gz ZAXGSHIDOQVOEK-NEPJUHHUSA-N 0 3 253.390 2.291 20 30 CEEDHN C[C@H](Cc1ccsc1)NC(=O)[C@H](N)CCCCC#N ZINC000594432035 345628514 /nfs/dbraw/zinc/62/85/14/345628514.db2.gz VULULWFITMLYMO-DGCLKSJQSA-N 0 3 279.409 2.207 20 30 CEEDHN COCCC1(CNC(=O)[C@@H](N)CCCCC#N)CCCC1 ZINC000594432939 345629066 /nfs/dbraw/zinc/62/90/66/345629066.db2.gz HKXJOOKPLUWHRZ-AWEZNQCLSA-N 0 3 295.427 2.111 20 30 CEEDHN C[C@H]1Cc2ccccc2CN1C(=O)[C@H](N)CCCCC#N ZINC000594434473 345629680 /nfs/dbraw/zinc/62/96/80/345629680.db2.gz ZOGYHPHSMVRKRL-XJKSGUPXSA-N 0 3 285.391 2.371 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000594436467 345629773 /nfs/dbraw/zinc/62/97/73/345629773.db2.gz ITWZZXIBANQYAV-RRFJBIMHSA-N 0 3 289.354 2.209 20 30 CEEDHN Cc1cccc(F)c1NC(=O)[C@@H](N)CCCCC#N ZINC000594437897 345630787 /nfs/dbraw/zinc/63/07/87/345630787.db2.gz QBKORRDPLGQBTE-LBPRGKRZSA-N 0 3 263.316 2.484 20 30 CEEDHN CCC[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccccn1 ZINC000594439232 345631484 /nfs/dbraw/zinc/63/14/84/345631484.db2.gz UJFNXVBOVXKIPX-HIFRSBDPSA-N 0 3 288.395 2.450 20 30 CEEDHN Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)c(C)n1 ZINC000594441386 345631525 /nfs/dbraw/zinc/63/15/25/345631525.db2.gz RDPCUYJNSWSFFN-LBPRGKRZSA-N 0 3 260.341 2.048 20 30 CEEDHN COc1ccc(F)c(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594443019 345631885 /nfs/dbraw/zinc/63/18/85/345631885.db2.gz FYUYECNWIZRBIM-LBPRGKRZSA-N 0 3 279.315 2.184 20 30 CEEDHN CC1(C)CCCC[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594444047 345632152 /nfs/dbraw/zinc/63/21/52/345632152.db2.gz JQYSGVYUUQFTTP-OLZOCXBDSA-N 0 3 265.401 2.483 20 30 CEEDHN CS[C@@H]1CCC[C@@H](NC(=O)[C@H](N)CCCCC#N)C1 ZINC000594447699 345633298 /nfs/dbraw/zinc/63/32/98/345633298.db2.gz VLPBFIJIDHKTBB-JHJVBQTASA-N 0 3 283.441 2.188 20 30 CEEDHN Cc1ccc([C@@H]2C[C@H]2NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594449308 345633974 /nfs/dbraw/zinc/63/39/74/345633974.db2.gz GIIQYPHLPYYQOZ-ARFHVFGLSA-N 0 3 285.391 2.378 20 30 CEEDHN Cc1cc(N[C@H]2CCCN3CCCC[C@@H]23)cc(C#N)n1 ZINC000594603891 345658198 /nfs/dbraw/zinc/65/81/98/345658198.db2.gz WHZYKMVPHPFHIR-HOTGVXAUSA-N 0 3 270.380 2.112 20 30 CEEDHN CC(C)(C#N)c1ccc(CNC[C@@]2(C)CCC(=O)N2)cc1 ZINC000594506590 345639756 /nfs/dbraw/zinc/63/97/56/345639756.db2.gz CMZNTFLHLLKDAJ-QGZVFWFLSA-N 0 3 285.391 2.246 20 30 CEEDHN C[S@](=O)C1(CNCc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594522695 345643777 /nfs/dbraw/zinc/64/37/77/345643777.db2.gz NSHWWGOLOWRNEY-FQEVSTJZSA-N 0 3 290.432 2.488 20 30 CEEDHN N#Cc1ncccc1N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594596938 345655259 /nfs/dbraw/zinc/65/52/59/345655259.db2.gz BJMWJXPEVSUIOG-HIFRSBDPSA-N 0 3 256.353 2.382 20 30 CEEDHN Cc1cc(C#N)nc(N[C@@H]2CCCN3CCCC[C@@H]23)n1 ZINC000594597071 345655317 /nfs/dbraw/zinc/65/53/17/345655317.db2.gz CFVKEPZIELILBV-KGLIPLIRSA-N 0 3 271.368 2.086 20 30 CEEDHN CC[C@H](C)CCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000594710934 345676513 /nfs/dbraw/zinc/67/65/13/345676513.db2.gz JVCZFIKHKITWHL-SMDDNHRTSA-N 0 3 259.353 2.110 20 30 CEEDHN N#C[C@H](c1ccccc1)N1CC[C@@H](N2CCCC2)C1 ZINC000595308075 345759387 /nfs/dbraw/zinc/75/93/87/345759387.db2.gz YUDJLGCMEHTLSA-HZPDHXFCSA-N 0 3 255.365 2.421 20 30 CEEDHN Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](N)CCCC#N)[C@H](C)C2 ZINC000595259210 345750768 /nfs/dbraw/zinc/75/07/68/345750768.db2.gz YXNKRHGOPZWDCQ-KCXAZCMYSA-N 0 3 285.391 2.366 20 30 CEEDHN CS[C@@H](CO)[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594923170 345703552 /nfs/dbraw/zinc/70/35/52/345703552.db2.gz SXNCELPPQLINFR-DOMZBBRYSA-N 0 3 290.432 2.444 20 30 CEEDHN N#CC1CCC(CNCc2cn(C3CCC3)nn2)CC1 ZINC000594936394 345708555 /nfs/dbraw/zinc/70/85/55/345708555.db2.gz KUGDOWAGTWMKNA-UHFFFAOYSA-N 0 3 273.384 2.423 20 30 CEEDHN N#Cc1cccc(CNCCO[C@H]2CC2(F)F)c1 ZINC000594971265 345719572 /nfs/dbraw/zinc/71/95/72/345719572.db2.gz ZCJNKLZJHMZQGI-LBPRGKRZSA-N 0 3 252.264 2.072 20 30 CEEDHN N#Cc1ccc(CNCCO[C@H]2CC2(F)F)s1 ZINC000594970513 345719683 /nfs/dbraw/zinc/71/96/83/345719683.db2.gz JBXKAQZJOAGEBM-JTQLQIEISA-N 0 3 258.293 2.134 20 30 CEEDHN COC[C@@H](CC1CCOCC1)NCc1cccc(C#N)c1 ZINC000595007856 345725120 /nfs/dbraw/zinc/72/51/20/345725120.db2.gz QEQZWHDXFBSQEP-QGZVFWFLSA-N 0 3 288.391 2.480 20 30 CEEDHN N#Cc1ccc(CCN2CCN3CCCC[C@@H]3C2)cc1 ZINC000595379093 345771716 /nfs/dbraw/zinc/77/17/16/345771716.db2.gz VPMPDAKFTPSSIY-QGZVFWFLSA-N 0 3 269.392 2.271 20 30 CEEDHN CC(C)[C@H](N[C@@H]1CC[C@H](C#N)C1)[C@H](O)C(F)(F)F ZINC000595482521 345793411 /nfs/dbraw/zinc/79/34/11/345793411.db2.gz PGORNXMNALFIBY-VLEAKVRGSA-N 0 3 264.291 2.216 20 30 CEEDHN N#Cc1ccncc1N1CCN(CCC2CCC2)CC1 ZINC000595501542 345797354 /nfs/dbraw/zinc/79/73/54/345797354.db2.gz MEDXDYLMMBVNMG-UHFFFAOYSA-N 0 3 270.380 2.265 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000595739783 345863023 /nfs/dbraw/zinc/86/30/23/345863023.db2.gz JWFJJAZDLKWBCU-WQVCFCJDSA-N 0 3 283.375 2.220 20 30 CEEDHN Cn1nnc2cc(CN3CCC[C@H](CC#N)C3)ccc21 ZINC000595617552 345828756 /nfs/dbraw/zinc/82/87/56/345828756.db2.gz WWUOMLSMBSTOEZ-GFCCVEGCSA-N 0 3 269.352 2.094 20 30 CEEDHN CC(C)CNC(=O)CCCN1CCC[C@@H](CC#N)C1 ZINC000595623068 345830936 /nfs/dbraw/zinc/83/09/36/345830936.db2.gz GDWGMVQHIINUFX-AWEZNQCLSA-N 0 3 265.401 2.164 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)NCC(C)(C)CCC#N)C1 ZINC000595628631 345832560 /nfs/dbraw/zinc/83/25/60/345832560.db2.gz PNCMWQHFNJKPNG-CYBMUJFWSA-N 0 3 280.416 2.100 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CCCC2(CCCC2)CC1 ZINC000595643638 345836454 /nfs/dbraw/zinc/83/64/54/345836454.db2.gz XXDYSGVRHFWTAD-UHFFFAOYSA-N 0 3 293.411 2.045 20 30 CEEDHN C=CCN(CCOc1cccc(C#N)c1)[C@@H](C)COC ZINC000595648879 345838250 /nfs/dbraw/zinc/83/82/50/345838250.db2.gz VOXRETKSNOLBCV-AWEZNQCLSA-N 0 3 274.364 2.460 20 30 CEEDHN Cn1cc(C[C@H]2CCC[C@H]2NCC2(C#N)CCC2)cn1 ZINC000595771981 345872471 /nfs/dbraw/zinc/87/24/71/345872471.db2.gz RHGNSYCEZDKFHS-HUUCEWRRSA-N 0 3 272.396 2.415 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000595783473 345876018 /nfs/dbraw/zinc/87/60/18/345876018.db2.gz OQDFBHDSQKZOMU-XJKCOSOUSA-N 0 3 277.412 2.305 20 30 CEEDHN CO[C@@H]1[C@H](C)[C@H](NCc2cccc(C#N)n2)C1(C)C ZINC000602582059 347088054 /nfs/dbraw/zinc/08/80/54/347088054.db2.gz NFRYNFNNMWQJTG-DDTOSNHZSA-N 0 3 259.353 2.102 20 30 CEEDHN CN(C)[C@@H](CNc1c(C#N)cnn1C)c1cccs1 ZINC000596054553 345928843 /nfs/dbraw/zinc/92/88/43/345928843.db2.gz LVCOWUDYSZUDRP-NSHDSACASA-N 0 3 275.381 2.068 20 30 CEEDHN CC[C@H](c1ccccc1)N(CC(=O)NCC#N)C(C)C ZINC000595858077 345899813 /nfs/dbraw/zinc/89/98/13/345899813.db2.gz RTXPRAULLDGTSD-OAHLLOKOSA-N 0 3 273.380 2.488 20 30 CEEDHN COCC1(NCc2ccnc(C#N)c2)CCCCC1 ZINC000595907554 345910835 /nfs/dbraw/zinc/91/08/35/345910835.db2.gz AOVWFXBPCZOXMJ-UHFFFAOYSA-N 0 3 259.353 2.392 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)CC2(C#N)CCCCC2)CCN1 ZINC000595930968 345914406 /nfs/dbraw/zinc/91/44/06/345914406.db2.gz DOVPYUPNLPMBTN-CQSZACIVSA-N 0 3 277.412 2.307 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000595961129 345917997 /nfs/dbraw/zinc/91/79/97/345917997.db2.gz PLLKVYNIGFMHMN-AWEZNQCLSA-N 0 3 296.374 2.074 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CC2CC1(c1ccccc1)C2 ZINC000595985821 345921283 /nfs/dbraw/zinc/92/12/83/345921283.db2.gz BXBOKGYJELYXFI-GULBITTBSA-N 0 3 283.375 2.155 20 30 CEEDHN CN(CC1CN(C)C1)c1ccc(Br)cc1C#N ZINC000596453734 346028224 /nfs/dbraw/zinc/02/82/24/346028224.db2.gz MRVPOLBSVFOPNB-UHFFFAOYSA-N 0 3 294.196 2.319 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)[C@@H](C)C(C)(C)O ZINC000295122435 199357062 /nfs/dbraw/zinc/35/70/62/199357062.db2.gz IZMSDYJSWQXNDX-NSHDSACASA-N 0 3 262.353 2.158 20 30 CEEDHN C[C@H](CC#N)c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000596587634 346060856 /nfs/dbraw/zinc/06/08/56/346060856.db2.gz VFQOGRRFVSQOGZ-WAAKLRNESA-N 0 3 260.341 2.427 20 30 CEEDHN C=CCCSCCNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000596715353 346079220 /nfs/dbraw/zinc/07/92/20/346079220.db2.gz DSDONNTXRBPLLF-CQSZACIVSA-N 0 3 299.484 2.420 20 30 CEEDHN C=CCCSCCNC(=O)N(C)CCN1CCCCC1 ZINC000596720108 346080206 /nfs/dbraw/zinc/08/02/06/346080206.db2.gz XQKFDPBMMUROAC-UHFFFAOYSA-N 0 3 299.484 2.423 20 30 CEEDHN C[C@H](CC#N)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000596913077 346105602 /nfs/dbraw/zinc/10/56/02/346105602.db2.gz ZOBJAMRAJPGFHG-CYBMUJFWSA-N 0 3 291.370 2.266 20 30 CEEDHN CCN(C(=O)NCC(C)(C)CCC#N)[C@@H]1CCN(C)C1 ZINC000596601784 346063057 /nfs/dbraw/zinc/06/30/57/346063057.db2.gz VRCCJGOVYXJIED-CYBMUJFWSA-N 0 3 280.416 2.052 20 30 CEEDHN Cn1ncc2c1CC(C)(C)CN([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000596599283 346063305 /nfs/dbraw/zinc/06/33/05/346063305.db2.gz SGLNMDKCWMCKLM-TZMCWYRMSA-N 0 3 272.396 2.497 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(C)c(C(=O)OC)o1 ZINC000597119670 346130679 /nfs/dbraw/zinc/13/06/79/346130679.db2.gz TUXIGOMIZMYWMD-OCCSQVGLSA-N 0 3 293.363 2.445 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CO[C@@H](C3CC3)C2)cc1F ZINC000597142696 346134377 /nfs/dbraw/zinc/13/43/77/346134377.db2.gz CLUZRPBXGRVELM-DZGCQCFKSA-N 0 3 260.312 2.354 20 30 CEEDHN CCCCN(C)CCNC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597215545 346151620 /nfs/dbraw/zinc/15/16/20/346151620.db2.gz FNYHLJCKPSTQIA-UHFFFAOYSA-N 0 3 295.333 2.298 20 30 CEEDHN C[C@@H]1CN(Cc2cc(C#N)cs2)C[C@@]1(C)CO ZINC000597234455 346157021 /nfs/dbraw/zinc/15/70/21/346157021.db2.gz AEZMCDUWLGWYKL-MFKMUULPSA-N 0 3 250.367 2.070 20 30 CEEDHN C[C@@H](CC#N)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000597245080 346160331 /nfs/dbraw/zinc/16/03/31/346160331.db2.gz FRDJOCUWZSFCBT-HOCLYGCPSA-N 0 3 285.391 2.317 20 30 CEEDHN CC[C@@](C)(NC(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000602585366 347089378 /nfs/dbraw/zinc/08/93/78/347089378.db2.gz GFYLRJMQVDZZDP-TZMCWYRMSA-N 0 3 251.374 2.093 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](OC1CCCC1)C(F)(F)F ZINC000597977539 346262184 /nfs/dbraw/zinc/26/21/84/346262184.db2.gz JQNCQOKDEVFUNK-PSASIEDQSA-N 0 3 278.274 2.152 20 30 CEEDHN C[C@@H](C#N)N(C(=O)CCN1CCc2ccccc2C1)C1CC1 ZINC000598135700 346297921 /nfs/dbraw/zinc/29/79/21/346297921.db2.gz AUAOVVVGSPGENB-AWEZNQCLSA-N 0 3 297.402 2.338 20 30 CEEDHN Cc1scc(CNC(=O)[C@@H](N)CCCC#N)c1C ZINC000602586758 347090003 /nfs/dbraw/zinc/09/00/03/347090003.db2.gz UUPZAQYUHMKAKM-LBPRGKRZSA-N 0 3 265.382 2.002 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc(C#N)cc1 ZINC000598266468 346316593 /nfs/dbraw/zinc/31/65/93/346316593.db2.gz YEBPUDOQQRGYIV-CQSZACIVSA-N 0 3 285.391 2.408 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1sccc1C#N ZINC000598265548 346316641 /nfs/dbraw/zinc/31/66/41/346316641.db2.gz UKQZWOJDVTZQOC-GFCCVEGCSA-N 0 3 291.420 2.470 20 30 CEEDHN N#Cc1cccc(OCCCN2CCCOCC2)c1 ZINC000061918465 362699160 /nfs/dbraw/zinc/69/91/60/362699160.db2.gz QUIOOAJIEKIPPS-UHFFFAOYSA-N 0 3 260.337 2.049 20 30 CEEDHN Cc1nn(C)cc1[C@H]1CCCN1C[C@H](O)CC(C)(C)C#N ZINC000598592874 346379215 /nfs/dbraw/zinc/37/92/15/346379215.db2.gz MNTNWHDOCALGPV-UKRRQHHQSA-N 0 3 290.411 2.166 20 30 CEEDHN C[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)C[C@@H](C)S1 ZINC000598591512 346379337 /nfs/dbraw/zinc/37/93/37/346379337.db2.gz BGOZLLHCDMLLQZ-UTUOFQBUSA-N 0 3 256.415 2.113 20 30 CEEDHN CC(C)CO[C@@H]1CCN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598591766 346379447 /nfs/dbraw/zinc/37/94/47/346379447.db2.gz BIFAEMCXRODLQX-ZIAGYGMSSA-N 0 3 268.401 2.034 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCN(C2CCCCC2)CC1 ZINC000598593621 346380275 /nfs/dbraw/zinc/38/02/75/346380275.db2.gz UALGOOMHXWJYLR-MRXNPFEDSA-N 0 3 293.455 2.237 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000598596630 346381526 /nfs/dbraw/zinc/38/15/26/346381526.db2.gz QRERPKMYXMENNU-KGLIPLIRSA-N 0 3 276.384 2.237 20 30 CEEDHN Cc1ccncc1[C@@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598601474 346381919 /nfs/dbraw/zinc/38/19/19/346381919.db2.gz FTMKNIXOBYMLBF-CHWSQXEVSA-N 0 3 261.369 2.341 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H](OCC2CC2)C1 ZINC000598608787 346383185 /nfs/dbraw/zinc/38/31/85/346383185.db2.gz POXIZYMPFCTZBA-GJZGRUSLSA-N 0 3 280.412 2.178 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCC(OC2CCC2)CC1 ZINC000598622452 346386747 /nfs/dbraw/zinc/38/67/47/346386747.db2.gz NHQTUFJWQYGALB-ZDUSSCGKSA-N 0 3 280.412 2.321 20 30 CEEDHN CC(=O)Nc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598714918 346405993 /nfs/dbraw/zinc/40/59/93/346405993.db2.gz KMGMOOJGTDCZLE-HNNXBMFYSA-N 0 3 289.379 2.035 20 30 CEEDHN Cc1cc(CN2CC[C@@H](C)[C@H](CO)C2)ccc1C#N ZINC000598647532 346392378 /nfs/dbraw/zinc/39/23/78/346392378.db2.gz OIVLJLPIUMVZKC-WBMJQRKESA-N 0 3 258.365 2.317 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H](O)[C@H]1CCCO1 ZINC000599066041 346454698 /nfs/dbraw/zinc/45/46/98/346454698.db2.gz OARJUWBTGUOFSD-YESZJQIVSA-N 0 3 286.375 2.065 20 30 CEEDHN CN(CCN[C@@H]1CCc2ccc(C#N)cc21)CC(F)F ZINC000599095467 346459764 /nfs/dbraw/zinc/45/97/64/346459764.db2.gz VXFNPNKMHWCKGY-CQSZACIVSA-N 0 3 279.334 2.332 20 30 CEEDHN CN(C(=O)c1cccc2c1CNC2)[C@@H]1CCC[C@@H]1C#N ZINC000602597330 347093834 /nfs/dbraw/zinc/09/38/34/347093834.db2.gz BBXDLZJSQVGMDO-IAQYHMDHSA-N 0 3 269.348 2.054 20 30 CEEDHN Cc1ccc(CN2CCN(CC3CC3)CC2)cc1C#N ZINC000599263676 346486782 /nfs/dbraw/zinc/48/67/82/346486782.db2.gz IKSZKEACHWLWJN-UHFFFAOYSA-N 0 3 269.392 2.394 20 30 CEEDHN COC[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccccc1 ZINC000599348147 346503380 /nfs/dbraw/zinc/50/33/80/346503380.db2.gz CSWAJJYRDSFXFW-GJZGRUSLSA-N 0 3 274.364 2.018 20 30 CEEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(C#N)cc1 ZINC000599350285 346504174 /nfs/dbraw/zinc/50/41/74/346504174.db2.gz PWZPGXLSDNTYTO-WFASDCNBSA-N 0 3 269.348 2.264 20 30 CEEDHN CN(C(=O)C[C@@H]1NCc2ccccc21)[C@H]1CCC[C@H]1C#N ZINC000602603438 347096563 /nfs/dbraw/zinc/09/65/63/347096563.db2.gz RXPMFNOCUUURBT-RCBQFDQVSA-N 0 3 283.375 2.372 20 30 CEEDHN C[C@H](C(=O)N(C)[C@@H]1CCC[C@@H]1C#N)[C@H](N)c1ccccc1 ZINC000602604703 347096761 /nfs/dbraw/zinc/09/67/61/347096761.db2.gz ZVFOIDBHYIOQMD-XZDPQHSOSA-N 0 3 285.391 2.473 20 30 CEEDHN Cc1ccc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1C#N ZINC000599338921 346501602 /nfs/dbraw/zinc/50/16/02/346501602.db2.gz JUQDLAXCWSWKMG-IAGOWNOFSA-N 0 3 297.402 2.357 20 30 CEEDHN C=C[C@H](C(=O)OC)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000599662220 346557378 /nfs/dbraw/zinc/55/73/78/346557378.db2.gz ZPZAYGCGGKDMTD-MRXNPFEDSA-N 0 3 290.407 2.298 20 30 CEEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C[C@H]1C[C@@H](O)C1 ZINC000599672298 346560061 /nfs/dbraw/zinc/56/00/61/346560061.db2.gz KXZSKEBBAXDBSS-BJHJDKERSA-N 0 3 296.317 2.362 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCCC2(CC2)CC1 ZINC000599672430 346560082 /nfs/dbraw/zinc/56/00/82/346560082.db2.gz DGSFTDRNKPDXQO-UHFFFAOYSA-N 0 3 263.385 2.015 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCc2c(CC#N)cccc2C1 ZINC000599677511 346562135 /nfs/dbraw/zinc/56/21/35/346562135.db2.gz KIYZSQMWTYTVAV-MRXNPFEDSA-N 0 3 256.349 2.048 20 30 CEEDHN CCC[C@H](O)CN1CCc2c(CC#N)cccc2C1 ZINC000599679149 346563294 /nfs/dbraw/zinc/56/32/94/346563294.db2.gz WREDRVYVEQQFSQ-HNNXBMFYSA-N 0 3 258.365 2.272 20 30 CEEDHN N#CCCOCCN[C@@H](c1ccccn1)C1CCC1 ZINC000599574650 346540583 /nfs/dbraw/zinc/54/05/83/346540583.db2.gz XFWIXNSLUQEBAY-OAHLLOKOSA-N 0 3 259.353 2.443 20 30 CEEDHN C[C@H]1CN(CCOCCC#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599582808 346542137 /nfs/dbraw/zinc/54/21/37/346542137.db2.gz PDSKAWGIMWZYRA-UONOGXRCSA-N 0 3 296.411 2.216 20 30 CEEDHN CC1(C)CCC[C@@](CO)(NCc2ccc(C#N)cn2)C1 ZINC000599593492 346543206 /nfs/dbraw/zinc/54/32/06/346543206.db2.gz FUFVZTSDJJNQAY-MRXNPFEDSA-N 0 3 273.380 2.374 20 30 CEEDHN N#CCCOCCNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000599629471 346549407 /nfs/dbraw/zinc/54/94/07/346549407.db2.gz GLKBVOYOACJZDB-UHFFFAOYSA-N 0 3 299.374 2.084 20 30 CEEDHN CCN(C(=O)c1cc(C#N)cs1)C1CCN(C)CC1 ZINC000599986668 346589300 /nfs/dbraw/zinc/58/93/00/346589300.db2.gz XEKDDNYQCQGWKI-UHFFFAOYSA-N 0 3 277.393 2.176 20 30 CEEDHN COC[C@@]1(C)CN(CC(C)(C)CCC#N)CCO1 ZINC000600216887 346625348 /nfs/dbraw/zinc/62/53/48/346625348.db2.gz CVJQYFKKUSLNAG-CQSZACIVSA-N 0 3 254.374 2.054 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000600232678 346628085 /nfs/dbraw/zinc/62/80/85/346628085.db2.gz LOSUADFYKITLDQ-HLUHBDAQSA-N 0 3 298.264 2.197 20 30 CEEDHN CC(C)(C#N)CC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600468695 346642145 /nfs/dbraw/zinc/64/21/45/346642145.db2.gz GMWQNESEJIBXGM-CYBMUJFWSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1nc2ccccc2[nH]1 ZINC000600719907 346677578 /nfs/dbraw/zinc/67/75/78/346677578.db2.gz XGAQHKDSRWRGAL-VXGBXAGGSA-N 0 3 284.363 2.268 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@H]2CSc3ccccc32)CC1 ZINC000600722087 346678487 /nfs/dbraw/zinc/67/84/87/346678487.db2.gz FHCAPUCRUZMWEZ-YPMHNXCESA-N 0 3 274.389 2.478 20 30 CEEDHN C=CCOc1ccccc1CNC[C@H](O)CC1(C#N)CC1 ZINC000600727665 346679405 /nfs/dbraw/zinc/67/94/05/346679405.db2.gz PUILFCFFJGIOJV-OAHLLOKOSA-N 0 3 286.375 2.396 20 30 CEEDHN CC(=O)Nc1cccc(CNCC2(CC#N)CC2)c1 ZINC000601119698 346758643 /nfs/dbraw/zinc/75/86/43/346758643.db2.gz AVGZQCGSOBESOK-UHFFFAOYSA-N 0 3 257.337 2.428 20 30 CEEDHN N#CC1(C(=O)N2CCC[C@@H](N3CCCC3)C2)CC2(CC2)C1 ZINC000601124208 346760764 /nfs/dbraw/zinc/76/07/64/346760764.db2.gz OXIXRRCJFLCAGX-CQSZACIVSA-N 0 3 287.407 2.157 20 30 CEEDHN Cc1cc(C#N)cc(N(CCN(C)C)Cc2ccco2)n1 ZINC000601129776 346763123 /nfs/dbraw/zinc/76/31/23/346763123.db2.gz LQXSIZBJELYLMU-UHFFFAOYSA-N 0 3 284.363 2.423 20 30 CEEDHN CC(C)N1CCCN(c2cc(C#N)nc(C3CC3)n2)CC1 ZINC000601110937 346755416 /nfs/dbraw/zinc/75/54/16/346755416.db2.gz LQJJBYNNIDIMRS-UHFFFAOYSA-N 0 3 285.395 2.146 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCO[C@@H](C3CC3)C2)n1 ZINC000602617052 347105218 /nfs/dbraw/zinc/10/52/18/347105218.db2.gz NOTOTJSEAAKIHR-SWLSCSKDSA-N 0 3 257.337 2.000 20 30 CEEDHN CC[C@@H]1CN(C)CCCN1c1ncc(C#N)cc1F ZINC000601189093 346781648 /nfs/dbraw/zinc/78/16/48/346781648.db2.gz OVNLKUBWWZKBMY-GFCCVEGCSA-N 0 3 262.332 2.013 20 30 CEEDHN N#Cc1cc(NC[C@@H]2CCN2C2CCCC2)nc(C2CC2)n1 ZINC000601203264 346786990 /nfs/dbraw/zinc/78/69/90/346786990.db2.gz OYKRZPFCWJBHRQ-HNNXBMFYSA-N 0 3 297.406 2.076 20 30 CEEDHN N#Cc1cccc(CNCCCC2CCOCC2)n1 ZINC000602673361 347135994 /nfs/dbraw/zinc/13/59/94/347135994.db2.gz SZHYCVANAAVRTN-UHFFFAOYSA-N 0 3 259.353 2.250 20 30 CEEDHN CC(C)(C)O[C@H]1C[C@@H](NCc2cccc(C#N)n2)C1 ZINC000602699580 347155345 /nfs/dbraw/zinc/15/53/45/347155345.db2.gz XUJXCVXOCNRKOU-OKILXGFUSA-N 0 3 259.353 2.389 20 30 CEEDHN C=CCCSCCNCc1cc2c(cn1)OCCO2 ZINC000602712312 347165388 /nfs/dbraw/zinc/16/53/88/347165388.db2.gz ZBDYIMWZGOMVSU-UHFFFAOYSA-N 0 3 280.393 2.252 20 30 CEEDHN CCCC(=O)NC[C@@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602772950 347192305 /nfs/dbraw/zinc/19/23/05/347192305.db2.gz WJFPCQZIIRNMOQ-AWEZNQCLSA-N 0 3 277.412 2.309 20 30 CEEDHN N#CCC1(CN2CC[C@]3(C2)c2ccccc2NC3=O)CC1 ZINC000602810546 347208883 /nfs/dbraw/zinc/20/88/83/347208883.db2.gz GHCVPKXZNQOVIA-KRWDZBQOSA-N 0 3 281.359 2.276 20 30 CEEDHN N#Cc1cccc(CN[C@@H](C2CCC2)[C@H]2CCCO2)n1 ZINC000602741260 347181803 /nfs/dbraw/zinc/18/18/03/347181803.db2.gz HDEUVEKBXZTKCD-CVEARBPZSA-N 0 3 271.364 2.391 20 30 CEEDHN N#CCCN1CCN(C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000602748667 347184342 /nfs/dbraw/zinc/18/43/42/347184342.db2.gz PFEYAHIOACUTBB-SJORKVTESA-N 0 3 269.392 2.321 20 30 CEEDHN C[C@@H]1OCC[C@H]1CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000602765139 347188711 /nfs/dbraw/zinc/18/87/11/347188711.db2.gz DHXLXRSDELDCJL-YJBOKZPZSA-N 0 3 299.418 2.101 20 30 CEEDHN CCNC(=O)C[C@H]1CCCCN1CC1(CC#N)CC1 ZINC000602826903 347215316 /nfs/dbraw/zinc/21/53/16/347215316.db2.gz MEUBHDICRPJHQM-CYBMUJFWSA-N 0 3 263.385 2.061 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CCc2ncnn21 ZINC000602847095 347222195 /nfs/dbraw/zinc/22/21/95/347222195.db2.gz SCERSEZXOZNODX-SWLSCSKDSA-N 0 3 281.363 2.330 20 30 CEEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@@H](C)N1CC#N ZINC000602847789 347223604 /nfs/dbraw/zinc/22/36/04/347223604.db2.gz CZXKNJKYOQSBNY-HUUCEWRRSA-N 0 3 282.391 2.019 20 30 CEEDHN C[C@@H]1CN(CCN(C)c2ccccc2)C[C@H](C)N1CC#N ZINC000602861192 347229333 /nfs/dbraw/zinc/22/93/33/347229333.db2.gz KZUCPEKDJXJSRB-IYBDPMFKSA-N 0 3 286.423 2.041 20 30 CEEDHN CC(C)c1nc(CC2CCN(CC3(C#N)CC3)CC2)n[nH]1 ZINC000602866904 347231486 /nfs/dbraw/zinc/23/14/86/347231486.db2.gz UFRCUIJQXCNNNU-UHFFFAOYSA-N 0 3 287.411 2.486 20 30 CEEDHN CC(C)c1nnc(CC2CCN(CC3(C#N)CC3)CC2)[nH]1 ZINC000602866904 347231489 /nfs/dbraw/zinc/23/14/89/347231489.db2.gz UFRCUIJQXCNNNU-UHFFFAOYSA-N 0 3 287.411 2.486 20 30 CEEDHN C[C@H](CC#N)NC[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000602871705 347232674 /nfs/dbraw/zinc/23/26/74/347232674.db2.gz UVVNOPAADGHKBY-OLZOCXBDSA-N 0 3 265.401 2.163 20 30 CEEDHN N#Cc1cc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)ccn1 ZINC000603125873 347291999 /nfs/dbraw/zinc/29/19/99/347291999.db2.gz KFVGCXBSXJYRCH-GJZGRUSLSA-N 0 3 299.378 2.092 20 30 CEEDHN C[C@@](CO)(NCCCCC#N)c1cccc([N+](=O)[O-])c1 ZINC000602965829 347258398 /nfs/dbraw/zinc/25/83/98/347258398.db2.gz PEHSDNWBBWVTJK-AWEZNQCLSA-N 0 3 277.324 2.086 20 30 CEEDHN COCc1cc(C#N)ccc1N1CCN(CC(C)C)CC1 ZINC000603267837 347325990 /nfs/dbraw/zinc/32/59/90/347325990.db2.gz DRXVQZADIHEMJM-UHFFFAOYSA-N 0 3 287.407 2.483 20 30 CEEDHN N#Cc1ccccc1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000603847972 347391790 /nfs/dbraw/zinc/39/17/90/347391790.db2.gz ICFQAGKVTCQHSX-SFHVURJKSA-N 0 3 299.418 2.245 20 30 CEEDHN N#CCCCN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000065963546 362847374 /nfs/dbraw/zinc/84/73/74/362847374.db2.gz MGFVJEUIQABOBY-UHFFFAOYSA-N 0 3 277.412 2.451 20 30 CEEDHN N#Cc1cccc(OCCN2CCC[C@@H](n3ccnc3)C2)c1 ZINC000609157343 347629201 /nfs/dbraw/zinc/62/92/01/347629201.db2.gz DXSXBZMBGKPCIZ-MRXNPFEDSA-N 0 3 296.374 2.471 20 30 CEEDHN N#Cc1ccc(N[C@@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609384330 347637669 /nfs/dbraw/zinc/63/76/69/347637669.db2.gz KAOHYWAEPPAPDQ-CYBMUJFWSA-N 0 3 286.335 2.363 20 30 CEEDHN CN(C)Cc1ccccc1NC(=O)c1ccc(C#N)nc1 ZINC000609659561 347648563 /nfs/dbraw/zinc/64/85/63/347648563.db2.gz FNFWRLACOUDQFS-UHFFFAOYSA-N 0 3 280.331 2.267 20 30 CEEDHN C=CCCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609798104 347651582 /nfs/dbraw/zinc/65/15/82/347651582.db2.gz ADBJKWWNDLVFOM-UHFFFAOYSA-N 0 3 276.340 2.078 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000609843617 347652466 /nfs/dbraw/zinc/65/24/66/347652466.db2.gz NSUOZKGHQZPDMN-JQWIXIFHSA-N 0 3 272.304 2.238 20 30 CEEDHN COc1ccccc1C(C)(C)CNC(=O)C(C)C#N ZINC000609920712 347655719 /nfs/dbraw/zinc/65/57/19/347655719.db2.gz CLYUUVNNBNAGBX-LLVKDONJSA-N 0 3 260.337 2.249 20 30 CEEDHN CC(C#N)C(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC000610428421 347680576 /nfs/dbraw/zinc/68/05/76/347680576.db2.gz YIERYOYJNHTIAX-WCQYABFASA-N 0 3 260.362 2.463 20 30 CEEDHN COC[C@@H]1CCCN1CCOc1ccc(C#N)cc1 ZINC000610605115 347695347 /nfs/dbraw/zinc/69/53/47/347695347.db2.gz LQMZBGAQODSMTP-AWEZNQCLSA-N 0 3 260.337 2.048 20 30 CEEDHN Cc1ccc(CN(CCC(=O)N(C)CCC#N)C2CC2)o1 ZINC000611301925 347765488 /nfs/dbraw/zinc/76/54/88/347765488.db2.gz HHIMYIKHUFKUCV-UHFFFAOYSA-N 0 3 289.379 2.315 20 30 CEEDHN COc1cc(C#N)ccc1CNC1(CO)CCCCC1 ZINC000611463127 347781843 /nfs/dbraw/zinc/78/18/43/347781843.db2.gz YPDGFYXTQDYGIA-UHFFFAOYSA-N 0 3 274.364 2.352 20 30 CEEDHN CCN(Cc1cc(C#N)ccc1OC)C[C@H]1CCOC1 ZINC000610952854 347724855 /nfs/dbraw/zinc/72/48/55/347724855.db2.gz PYXCHMGFNCZETL-CQSZACIVSA-N 0 3 274.364 2.425 20 30 CEEDHN CC[C@H](O)[C@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000610993152 347729492 /nfs/dbraw/zinc/72/94/92/347729492.db2.gz FTQIYQSYRFBPGD-CABCVRRESA-N 0 3 259.353 2.079 20 30 CEEDHN N#Cc1cc(CN2CCC[C@H](c3ncc[nH]3)C2)ccn1 ZINC000610995028 347730098 /nfs/dbraw/zinc/73/00/98/347730098.db2.gz VKYQAHSIUHGKSW-ZDUSSCGKSA-N 0 3 267.336 2.056 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1C=C[C@H](CO)C1 ZINC000611969293 347830224 /nfs/dbraw/zinc/83/02/24/347830224.db2.gz LDOKQEOLFYKEOT-LXZKKBNFSA-N 0 3 268.360 2.462 20 30 CEEDHN C=C(C)CN(C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000611501118 347786141 /nfs/dbraw/zinc/78/61/41/347786141.db2.gz OTYYASLBGIJDGS-HNNXBMFYSA-N 0 3 274.364 2.000 20 30 CEEDHN CC(C)c1cnc(CNC2CCN(CC#N)CC2)s1 ZINC000612181055 347853942 /nfs/dbraw/zinc/85/39/42/347853942.db2.gz ACNSKVJKUBCORA-UHFFFAOYSA-N 0 3 278.425 2.344 20 30 CEEDHN N#CCCCN1CCC(c2nnc3n2CCCC3)CC1 ZINC000614221068 348161590 /nfs/dbraw/zinc/16/15/90/348161590.db2.gz MZVXTCGWEPAKJP-UHFFFAOYSA-N 0 3 273.384 2.098 20 30 CEEDHN C[C@@H]1CN(Cc2cc(F)ccc2C#N)[C@@H](C)CN1C ZINC000351921527 219248573 /nfs/dbraw/zinc/24/85/73/219248573.db2.gz QXTCJIXUQKYWSM-NEPJUHHUSA-N 0 3 261.344 2.222 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(C(C)(C)CO)CC1 ZINC000614963072 348260537 /nfs/dbraw/zinc/26/05/37/348260537.db2.gz RXYFGVLGTMPDBU-AWEZNQCLSA-N 0 3 287.407 2.008 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357533213 233090557 /nfs/dbraw/zinc/09/05/57/233090557.db2.gz KWIUIUTWLCAXIT-BXUZGUMPSA-N 0 3 288.351 2.243 20 30 CEEDHN C[C@@H]1[C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)CCCN1C ZINC000357472664 233077289 /nfs/dbraw/zinc/07/72/89/233077289.db2.gz KDBCMWVGSDCCCK-ZWNOBZJWSA-N 0 3 274.324 2.361 20 30 CEEDHN N#C[C@@H]1CCC[C@H](N[C@@H](CO)c2ccsc2)C1 ZINC000618578583 348981957 /nfs/dbraw/zinc/98/19/57/348981957.db2.gz HURWJUQNMFHHRN-WXHSDQCUSA-N 0 3 250.367 2.453 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1cncc(C#N)n1 ZINC000401219101 233180862 /nfs/dbraw/zinc/18/08/62/233180862.db2.gz ASQPZVPLBZVGJG-CZUORRHYSA-N 0 3 293.374 2.281 20 30 CEEDHN Cc1cc(CN2CC[C@@H](N3CCOCC3)[C@H]2C)ccc1C#N ZINC000352027493 219292148 /nfs/dbraw/zinc/29/21/48/219292148.db2.gz LDXPYAFZLIFDSR-CRAIPNDOSA-N 0 3 299.418 2.162 20 30 CEEDHN CN1Cc2ccccc2[C@H](N[C@@H]2CC[C@@H](C#N)C2)C1 ZINC000619673361 349215026 /nfs/dbraw/zinc/21/50/26/349215026.db2.gz IICAAEGTWUAKJP-XNRPHZJLSA-N 0 3 255.365 2.455 20 30 CEEDHN COC1CC(NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619847417 349240411 /nfs/dbraw/zinc/24/04/11/349240411.db2.gz ZQYDXCGSPBBINY-UHFFFAOYSA-N 0 3 250.729 2.479 20 30 CEEDHN COCCN(CCC1(O)CCC1)Cc1ccc(C#N)cc1 ZINC000411208881 233229325 /nfs/dbraw/zinc/22/93/25/233229325.db2.gz RGBCKELLSAIZKD-UHFFFAOYSA-N 0 3 288.391 2.312 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(OC)c(OC2CC2)c1 ZINC000623491258 350033150 /nfs/dbraw/zinc/03/31/50/350033150.db2.gz LLKIFAHXCGHMBK-CYBMUJFWSA-N 0 3 277.364 2.263 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)NCCN(CC)C2CC2)C1 ZINC000623573697 350054446 /nfs/dbraw/zinc/05/44/46/350054446.db2.gz RPLXWBZAVWHLRM-ZDUSSCGKSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000623734784 350096397 /nfs/dbraw/zinc/09/63/97/350096397.db2.gz DDCSIHRPJOHHJD-MGPQQGTHSA-N 0 3 277.412 2.219 20 30 CEEDHN C[C@H]1CC(C)(C)CN1CC(=O)NCc1ccc(C#N)cc1 ZINC000412048189 233324236 /nfs/dbraw/zinc/32/42/36/233324236.db2.gz UPIPDNFGUDCRJJ-ZDUSSCGKSA-N 0 3 285.391 2.295 20 30 CEEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H](C)[C@H](C)C1 ZINC000091528034 180179818 /nfs/dbraw/zinc/17/98/18/180179818.db2.gz MRLYGIYRIBKJDD-XQQFMLRXSA-N 0 3 271.364 2.473 20 30 CEEDHN C=CCC[C@H](C)NCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000624262841 350249655 /nfs/dbraw/zinc/24/96/55/350249655.db2.gz YDKBVXRTCLUKBA-LBPRGKRZSA-N 0 3 290.363 2.341 20 30 CEEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCOC1 ZINC000339707456 215308712 /nfs/dbraw/zinc/30/87/12/215308712.db2.gz DQBXRXGAZGSCNX-INIZCTEOSA-N 0 3 274.364 2.043 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092005202 180305188 /nfs/dbraw/zinc/30/51/88/180305188.db2.gz KLXBSEABUHFKTK-OLZOCXBDSA-N 0 3 263.385 2.011 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@@H](O)CC1(O)CCC1 ZINC000625052058 350398248 /nfs/dbraw/zinc/39/82/48/350398248.db2.gz HLNMCPCHOJJOGZ-INIZCTEOSA-N 0 3 275.392 2.341 20 30 CEEDHN C[C@H](C1CC1)N(C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625062344 350399680 /nfs/dbraw/zinc/39/96/80/350399680.db2.gz YKWBZHOMSHFMPA-CYBMUJFWSA-N 0 3 296.370 2.016 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCCC(C)C)CC1 ZINC000106276014 186105540 /nfs/dbraw/zinc/10/55/40/186105540.db2.gz PVGKINVMJNACSO-UHFFFAOYSA-N 0 3 267.417 2.372 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCN2CCCC[C@@H]2C1 ZINC000130486117 365962173 /nfs/dbraw/zinc/96/21/73/365962173.db2.gz SNLUMYBVXFSCGF-MRXNPFEDSA-N 0 3 285.391 2.237 20 30 CEEDHN C=CCN(C[C@@H](O)COc1ccc(F)cc1)C1CC1 ZINC000271377404 191106104 /nfs/dbraw/zinc/10/61/04/191106104.db2.gz HXJIJHWXBWZBOE-CQSZACIVSA-N 0 3 265.328 2.216 20 30 CEEDHN C=CC[C@H]1CC[N@H+](Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000625704664 350551715 /nfs/dbraw/zinc/55/17/15/350551715.db2.gz ZPNTVRXWEPDPNB-NSHDSACASA-N 0 3 259.353 2.458 20 30 CEEDHN C=CC[C@H]1CC[N@@H+](Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000625704664 350551719 /nfs/dbraw/zinc/55/17/19/350551719.db2.gz ZPNTVRXWEPDPNB-NSHDSACASA-N 0 3 259.353 2.458 20 30 CEEDHN C=CCc1cc(CN2C[C@@H](O)[C@@H](CC)C2)cc(OC)c1O ZINC000271400286 191117210 /nfs/dbraw/zinc/11/72/10/191117210.db2.gz VNIDQQAJKGOFFR-DZGCQCFKSA-N 0 3 291.391 2.332 20 30 CEEDHN C=CC1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000111256673 186378821 /nfs/dbraw/zinc/37/88/21/186378821.db2.gz BJSGBDCZKQEVLP-UHFFFAOYSA-N 0 3 269.348 2.093 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)Cc1ccc(C#N)cc1 ZINC000070159050 363039854 /nfs/dbraw/zinc/03/98/54/363039854.db2.gz PGWHUUCDJZVPTK-CQSZACIVSA-N 0 3 285.391 2.091 20 30 CEEDHN C=CCN1CC[C@H](N2CCC[C@H](CCC)C2)C1=O ZINC000337168394 366047619 /nfs/dbraw/zinc/04/76/19/366047619.db2.gz DBDYJAXYBWYPCF-KBPBESRZSA-N 0 3 250.386 2.285 20 30 CEEDHN Cc1nc(NCCN2CCC[C@@H](C)C2)ccc1C#N ZINC000291615501 198051272 /nfs/dbraw/zinc/05/12/72/198051272.db2.gz JYTCBKSGWKTRRE-GFCCVEGCSA-N 0 3 258.369 2.406 20 30 CEEDHN Cc1nc(NCCN2CCC[C@H](C)C2)ccc1C#N ZINC000291615503 198051424 /nfs/dbraw/zinc/05/14/24/198051424.db2.gz JYTCBKSGWKTRRE-LBPRGKRZSA-N 0 3 258.369 2.406 20 30 CEEDHN CN(Cc1ccc(C#N)s1)CC1CCOCC1 ZINC000123978659 187116997 /nfs/dbraw/zinc/11/69/97/187116997.db2.gz UVYCKNRWIJSXAO-UHFFFAOYSA-N 0 3 250.367 2.478 20 30 CEEDHN C=C1CC(C)(C(=O)N2CCCN(C(C)C)CC2)C1 ZINC000630913166 351887381 /nfs/dbraw/zinc/88/73/81/351887381.db2.gz SEFQHSZVDKYMFU-UHFFFAOYSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C(C)COCCNCc1cnc(CCOC)s1 ZINC000631090771 351958401 /nfs/dbraw/zinc/95/84/01/351958401.db2.gz TXQLEJZMHFQLOC-UHFFFAOYSA-N 0 3 270.398 2.014 20 30 CEEDHN C=C1CC(C)(C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000631139770 351983627 /nfs/dbraw/zinc/98/36/27/351983627.db2.gz PZSVDBMVZSOQBA-AWEZNQCLSA-N 0 3 262.397 2.430 20 30 CEEDHN Cc1nc(NCCCN2CCCO[C@@H](C)C2)ccc1C#N ZINC000292065224 198150204 /nfs/dbraw/zinc/15/02/04/198150204.db2.gz WVVQXXDCKZEFJW-ZDUSSCGKSA-N 0 3 288.395 2.175 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(C#N)cc2)CCN1C ZINC000336446703 213312271 /nfs/dbraw/zinc/31/22/71/213312271.db2.gz AILOSUUWLMLZTH-SMDDNHRTSA-N 0 3 272.352 2.162 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(CC)CC1CC1 ZINC000157933427 188348244 /nfs/dbraw/zinc/34/82/44/188348244.db2.gz HXUKUTOPPZZFNF-CYBMUJFWSA-N 0 3 250.386 2.307 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)C1CCN(C)CC1 ZINC000158119325 188358776 /nfs/dbraw/zinc/35/87/76/188358776.db2.gz XVSUXSDJAKRGCL-UHFFFAOYSA-N 0 3 271.364 2.033 20 30 CEEDHN CCc1nccn1CC(=O)C(C#N)c1nc(C)cs1 ZINC000158547995 188381773 /nfs/dbraw/zinc/38/17/73/188381773.db2.gz UOPBNSLMNRXTBN-SNVBAGLBSA-N 0 3 274.349 2.087 20 30 CEEDHN C=CCN1CC[C@H](N(CCOC)C[C@H]2CC=CCC2)C1=O ZINC000337252275 366106045 /nfs/dbraw/zinc/10/60/45/366106045.db2.gz RLBNCTJPLRORRV-HOTGVXAUSA-N 0 3 292.423 2.078 20 30 CEEDHN C=CCOCCCN1C[C@@H](O)C[C@@H]1c1cccc(OC)c1 ZINC000337414398 366147656 /nfs/dbraw/zinc/14/76/56/366147656.db2.gz QNVRHIZTFSMMTC-DOTOQJQBSA-N 0 3 291.391 2.396 20 30 CEEDHN CCC1(C)CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000337703256 366169219 /nfs/dbraw/zinc/16/92/19/366169219.db2.gz YKKBETNADDCZTG-ZDUSSCGKSA-N 0 3 265.401 2.259 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(C)CCN(C)C1CC1 ZINC000338122768 366201439 /nfs/dbraw/zinc/20/14/39/366201439.db2.gz AJDZLUJADDIZAK-UHFFFAOYSA-N 0 3 271.364 2.033 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000338128375 366204293 /nfs/dbraw/zinc/20/42/93/366204293.db2.gz SSXJAVYBEMWPMR-CJNGLKHVSA-N 0 3 283.375 2.033 20 30 CEEDHN C=CCC[C@H](O)CNC1(c2cccc(C#N)c2)CC1 ZINC000271757160 191307623 /nfs/dbraw/zinc/30/76/23/191307623.db2.gz HDQCRZSIXZDBGF-HNNXBMFYSA-N 0 3 256.349 2.464 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H](c1ccccc1)C1CC1 ZINC000272824630 191933123 /nfs/dbraw/zinc/93/31/23/191933123.db2.gz GOAMXHYRGQKAKQ-HNNXBMFYSA-N 0 3 279.405 2.328 20 30 CEEDHN CC(C)C1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000075833390 363490775 /nfs/dbraw/zinc/49/07/75/363490775.db2.gz PSATYPNWJJCGSO-ZDUSSCGKSA-N 0 3 265.401 2.115 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](NCC1=CCOCC1)CC2 ZINC000334676806 283196898 /nfs/dbraw/zinc/19/68/98/283196898.db2.gz YPQRTXCPGRWVQM-INIZCTEOSA-N 0 3 254.333 2.482 20 30 CEEDHN C=CCCCN(C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000076733778 363543414 /nfs/dbraw/zinc/54/34/14/363543414.db2.gz TXDXYAADHQQBPO-LSDHHAIUSA-N 0 3 280.412 2.054 20 30 CEEDHN CC(C)OCC[C@@H](O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000338362624 366318159 /nfs/dbraw/zinc/31/81/59/366318159.db2.gz RIOQJOULLYRJFS-CZUORRHYSA-N 0 3 276.380 2.385 20 30 CEEDHN N#Cc1ccccc1CN1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000125397597 283214240 /nfs/dbraw/zinc/21/42/40/283214240.db2.gz FGMXJQUGOXDDNH-CVEARBPZSA-N 0 3 283.375 2.049 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2cnc3cnccc3c2)CCN1C ZINC000328651671 538851165 /nfs/dbraw/zinc/85/11/65/538851165.db2.gz JROYVOXAITXSHA-BXUZGUMPSA-N 0 3 284.363 2.417 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2OC(C)(C)C)CC1 ZINC000668369695 538893737 /nfs/dbraw/zinc/89/37/37/538893737.db2.gz BNQGAHLDCHWZGE-HUUCEWRRSA-N 0 3 294.439 2.347 20 30 CEEDHN NC(=O)[C@@H]1CCCC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000130876696 283317074 /nfs/dbraw/zinc/31/70/74/283317074.db2.gz BZWAAKISNDKJQE-CABCVRRESA-N 0 3 290.794 2.325 20 30 CEEDHN C=CCN(C(=O)[C@@H](N)CC1CCCCC1)C1CC1 ZINC000310645656 540348437 /nfs/dbraw/zinc/34/84/37/540348437.db2.gz DVJSSFNZUTWCJU-AWEZNQCLSA-N 0 3 250.386 2.461 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000135269357 366419422 /nfs/dbraw/zinc/41/94/22/366419422.db2.gz DLRJDHWSRXCUCH-STQMWFEESA-N 0 3 273.380 2.091 20 30 CEEDHN N#CCNC(=O)CN1CCC[C@H]1CCC1CCCCC1 ZINC000135299000 366424536 /nfs/dbraw/zinc/42/45/36/366424536.db2.gz MQYCQBHPWZVIII-HNNXBMFYSA-N 0 3 277.412 2.451 20 30 CEEDHN C=CCN1C[C@@H](c2ccccc2)C[C@H](C(=O)OC)C1 ZINC000135449935 366440611 /nfs/dbraw/zinc/44/06/11/366440611.db2.gz OKBLKCLTZCSWEF-GJZGRUSLSA-N 0 3 259.349 2.451 20 30 CEEDHN C=C(C)[C@H](CO)N(C)CCc1nc(-c2ccccc2)no1 ZINC000671721527 540492195 /nfs/dbraw/zinc/49/21/95/540492195.db2.gz LDBQVVNFCAZTAT-AWEZNQCLSA-N 0 3 287.363 2.148 20 30 CEEDHN C=C[C@](C)(O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000668181559 540580863 /nfs/dbraw/zinc/58/08/63/540580863.db2.gz MLKVGHFDPNOKJP-GUYCJALGSA-N 0 3 290.407 2.169 20 30 CEEDHN C=CCOCCN[C@H](C)c1cccc(-n2ccnn2)c1 ZINC000672607851 540629202 /nfs/dbraw/zinc/62/92/02/540629202.db2.gz KVDZIYSTSZVWJF-CYBMUJFWSA-N 0 3 272.352 2.121 20 30 CEEDHN C=C(CNC(=O)NC[C@H]1CCCN(C)C1)c1ccccc1 ZINC000672846653 540641771 /nfs/dbraw/zinc/64/17/71/540641771.db2.gz CILPQGNAICVAEG-OAHLLOKOSA-N 0 3 287.407 2.341 20 30 CEEDHN C[C@H]1CCN(CC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000571179681 299298328 /nfs/dbraw/zinc/29/83/28/299298328.db2.gz UYTUCVGRUXEJJA-AWEZNQCLSA-N 0 3 297.402 2.391 20 30 CEEDHN C=CCOCCN1CCN(CCC(C)(C)C)CC1 ZINC000338919285 366570874 /nfs/dbraw/zinc/57/08/74/366570874.db2.gz FXDIIMDKZQASRL-UHFFFAOYSA-N 0 3 254.418 2.243 20 30 CEEDHN C#CCOc1ccccc1CN[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000151120982 366622082 /nfs/dbraw/zinc/62/20/82/366622082.db2.gz SXGVCAGKDLANBU-HOCLYGCPSA-N 0 3 284.403 2.413 20 30 CEEDHN CCN1CCC(NC(=O)/C=C/c2ccccc2C#N)CC1 ZINC000298331100 200397377 /nfs/dbraw/zinc/39/73/77/200397377.db2.gz FLOKTWXHTYMVRH-BQYQJAHWSA-N 0 3 283.375 2.172 20 30 CEEDHN C#CCOc1ccc([C@H](C)NCCOCCOC)cc1 ZINC000178632160 189132808 /nfs/dbraw/zinc/13/28/08/189132808.db2.gz SSKYRFIBIQPWJK-AWEZNQCLSA-N 0 3 277.364 2.012 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@H](c2ccnc(C)n2)C1 ZINC000675493122 540846899 /nfs/dbraw/zinc/84/68/99/540846899.db2.gz SEQQVCKKXLGHCB-GJZGRUSLSA-N 0 3 275.396 2.292 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC(F)(F)C2)CC1 ZINC000675651743 540862658 /nfs/dbraw/zinc/86/26/58/540862658.db2.gz SWTARZDVANZOJN-LBPRGKRZSA-N 0 3 287.354 2.124 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(C(C)C)on2)CC1 ZINC000179668437 189211597 /nfs/dbraw/zinc/21/15/97/189211597.db2.gz LLBRIQMPXIYVAH-UHFFFAOYSA-N 0 3 277.368 2.178 20 30 CEEDHN C=CCNC(=O)CN[C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000180033615 189234063 /nfs/dbraw/zinc/23/40/63/189234063.db2.gz SQIYRUWUZSMGDZ-STQMWFEESA-N 0 3 276.380 2.079 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000677476457 541017525 /nfs/dbraw/zinc/01/75/25/541017525.db2.gz PNDWZWZGAQPMJL-MRXNPFEDSA-N 0 3 288.391 2.274 20 30 CEEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)NCCN(C)C ZINC000180656793 189268781 /nfs/dbraw/zinc/26/87/81/189268781.db2.gz YJVVJUJRHRRELC-UHFFFAOYSA-N 0 3 290.367 2.029 20 30 CEEDHN COc1ccc(CN(C)CCCn2ccnc2)cc1C#N ZINC000181082197 189287918 /nfs/dbraw/zinc/28/79/18/189287918.db2.gz KUEGSTBAMKUQMO-UHFFFAOYSA-N 0 3 284.363 2.285 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CC12CCOCC2 ZINC000580041017 366739098 /nfs/dbraw/zinc/73/90/98/366739098.db2.gz YSYRNECIPFMXGH-CVEARBPZSA-N 0 3 298.386 2.444 20 30 CEEDHN N#Cc1ccc(OCCN2CC[C@]3(CCOC3)C2)cc1 ZINC000153987507 366750058 /nfs/dbraw/zinc/75/00/58/366750058.db2.gz QPCCVAJIEAPCJU-INIZCTEOSA-N 0 3 272.348 2.049 20 30 CEEDHN COc1ccc(CN2CCN(C)CC[C@H]2C)cc1C#N ZINC000340198024 366800283 /nfs/dbraw/zinc/80/02/83/366800283.db2.gz ZCXKNQPCRPLWKJ-CYBMUJFWSA-N 0 3 273.380 2.093 20 30 CEEDHN CC[C@H]1CN(C)CCN1Cc1ccc(F)c(C#N)c1 ZINC000581764455 366819794 /nfs/dbraw/zinc/81/97/94/366819794.db2.gz ROEFTFVNISOYSH-AWEZNQCLSA-N 0 3 261.344 2.223 20 30 CEEDHN C#CCN(Cc1cccc(C(=O)NC)c1)C1CCCC1 ZINC000155907146 366824345 /nfs/dbraw/zinc/82/43/45/366824345.db2.gz QENHIZIEOVKFFK-UHFFFAOYSA-N 0 3 270.376 2.424 20 30 CEEDHN C=CC1CCN(Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000678259856 541102383 /nfs/dbraw/zinc/10/23/83/541102383.db2.gz GECNCTZAVMIPOP-UHFFFAOYSA-N 0 3 294.420 2.456 20 30 CEEDHN CCCCN(C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028708717 361676458 /nfs/dbraw/zinc/67/64/58/361676458.db2.gz MBAYYFPPYMOSKP-HNNXBMFYSA-N 0 3 271.364 2.395 20 30 CEEDHN C=CC[C@H](CO)CNCc1c(C)nc2sc(C)cn12 ZINC000678732159 541167892 /nfs/dbraw/zinc/16/78/92/541167892.db2.gz HGPVVDSLRJWUTP-LBPRGKRZSA-N 0 3 279.409 2.287 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc(C#N)cs1 ZINC000084181435 363800541 /nfs/dbraw/zinc/80/05/41/363800541.db2.gz RQGLQURIVTYGRC-LBPRGKRZSA-N 0 3 279.409 2.326 20 30 CEEDHN CCOC(=O)[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000087594681 363861329 /nfs/dbraw/zinc/86/13/29/363861329.db2.gz JJEATIJBSBRCRQ-GFCCVEGCSA-N 0 3 252.358 2.201 20 30 CEEDHN C#CCOc1ccccc1CN1CCC(n2cncn2)CC1 ZINC000092648019 364093273 /nfs/dbraw/zinc/09/32/73/364093273.db2.gz BYNXEBUBAAVXRG-UHFFFAOYSA-N 0 3 296.374 2.127 20 30 CEEDHN Cc1nsc(N[C@@H]2CCN3CCCC[C@H]23)c1C#N ZINC000092912541 364115448 /nfs/dbraw/zinc/11/54/48/364115448.db2.gz NTFFTTBEEQVDPE-VXGBXAGGSA-N 0 3 262.382 2.362 20 30 CEEDHN CC(C)(CCC#N)CN1CCC[C@@H](N2CCCC2=O)C1 ZINC000093279091 364157115 /nfs/dbraw/zinc/15/71/15/364157115.db2.gz OSRXXLGXGTUNTQ-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN N#Cc1csc(CNC[C@H]2CCCC[C@H]2O)c1 ZINC000093492692 364193213 /nfs/dbraw/zinc/19/32/13/364193213.db2.gz GXVISKCJCVIOJE-DGCLKSJQSA-N 0 3 250.367 2.260 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000238112038 370770666 /nfs/dbraw/zinc/77/06/66/370770666.db2.gz JREFWSRPKAKXFM-INIZCTEOSA-N 0 3 291.354 2.453 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)NC[C@H]2CCCN2C)c1 ZINC000335000481 364332786 /nfs/dbraw/zinc/33/27/86/364332786.db2.gz APPYRISQUIRUPR-CQSZACIVSA-N 0 3 272.352 2.082 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000156710532 366836066 /nfs/dbraw/zinc/83/60/66/366836066.db2.gz DIBQJGVOEHDPPZ-UONOGXRCSA-N 0 3 283.412 2.367 20 30 CEEDHN Cn1ccnc1[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000335179309 364583054 /nfs/dbraw/zinc/58/30/54/364583054.db2.gz RKRDPHFPNWEMID-CQSZACIVSA-N 0 3 284.338 2.420 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ncoc1C)C(C)C ZINC000102487225 364597378 /nfs/dbraw/zinc/59/73/78/364597378.db2.gz ZOAINJZKRYKCSH-CQSZACIVSA-N 0 3 291.395 2.411 20 30 CEEDHN CN(CCC(=O)Nc1sccc1C#N)C[C@@H]1CCCO1 ZINC000102770869 364610350 /nfs/dbraw/zinc/61/03/50/364610350.db2.gz BKHHFEUIIJTSRO-LBPRGKRZSA-N 0 3 293.392 2.059 20 30 CEEDHN CCN(CC)CC(=O)N(CCC#N)CCC(C)C ZINC000103439928 364653771 /nfs/dbraw/zinc/65/37/71/364653771.db2.gz YVMWQTKWBFNZSR-UHFFFAOYSA-N 0 3 253.390 2.117 20 30 CEEDHN C=CC1CCN(C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000111467009 364738493 /nfs/dbraw/zinc/73/84/93/364738493.db2.gz OSQUFIRZXLLAOQ-AWEZNQCLSA-N 0 3 279.428 2.326 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](COC)C1 ZINC000112991148 364865009 /nfs/dbraw/zinc/86/50/09/364865009.db2.gz AINQELSICLMHFX-GJZGRUSLSA-N 0 3 282.428 2.158 20 30 CEEDHN COCC#CCN[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000680427881 541411516 /nfs/dbraw/zinc/41/15/16/541411516.db2.gz YKBOYLHXQQNCMB-WOSRLPQWSA-N 0 3 259.349 2.179 20 30 CEEDHN CC[C@H]1CN(CC#CCOC)CCN1Cc1ccccc1 ZINC000680581864 541431905 /nfs/dbraw/zinc/43/19/05/541431905.db2.gz VWHAQMOLMDPZAD-SFHVURJKSA-N 0 3 286.419 2.233 20 30 CEEDHN C[C@H]1C[C@H](O)CN1Cc1ccccc1C(C)(C)C#N ZINC000335935268 365181762 /nfs/dbraw/zinc/18/17/62/365181762.db2.gz YHPXPWWPMYEDLW-JSGCOSHPSA-N 0 3 258.365 2.443 20 30 CEEDHN C[C@@H]1CN(C)C[C@@H]1NC1(c2cccc(C#N)c2)CC1 ZINC000335936236 365183070 /nfs/dbraw/zinc/18/30/70/365183070.db2.gz HPKGHRKRHAULCJ-DOMZBBRYSA-N 0 3 255.365 2.087 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H](C)C1CCC1 ZINC000357035666 370803990 /nfs/dbraw/zinc/80/39/90/370803990.db2.gz KAOBCPWXKVLXKC-ZDUSSCGKSA-N 0 3 250.386 2.307 20 30 CEEDHN CCN1CCCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000336040378 365327665 /nfs/dbraw/zinc/32/76/65/365327665.db2.gz KLGTUXZGCYOKDR-CQSZACIVSA-N 0 3 285.391 2.216 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC1)C(C)C ZINC000119711199 365314764 /nfs/dbraw/zinc/31/47/64/365314764.db2.gz ACLNWPQHCGOHJB-AWEZNQCLSA-N 0 3 265.401 2.100 20 30 CEEDHN CSCCCCCNCc1cnc2c(C#N)cnn2c1 ZINC000582242038 366883539 /nfs/dbraw/zinc/88/35/39/366883539.db2.gz VKVITEOHGIQGMA-UHFFFAOYSA-N 0 3 289.408 2.224 20 30 CEEDHN CN(C)CCc1ccccc1NC(=O)c1c[nH]c(C#N)c1 ZINC000275738326 193117134 /nfs/dbraw/zinc/11/71/34/193117134.db2.gz AVRRXYODZJRSJS-UHFFFAOYSA-N 0 3 282.347 2.243 20 30 CEEDHN C[C@@H]1[C@H](C)N(Cc2ccc(F)c(C#N)c2)CCN1C ZINC000336126061 365445827 /nfs/dbraw/zinc/44/58/27/365445827.db2.gz SFEJOEPQIHUDKU-NEPJUHHUSA-N 0 3 261.344 2.222 20 30 CEEDHN CN(C)[C@@H]1CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000336155929 365488047 /nfs/dbraw/zinc/48/80/47/365488047.db2.gz OSCYHVSVYLFHLD-MRXNPFEDSA-N 0 3 297.402 2.142 20 30 CEEDHN CC[C@@H](CC(F)(F)F)NCc1cnc2c(C#N)cnn2c1 ZINC000582486825 366917131 /nfs/dbraw/zinc/91/71/31/366917131.db2.gz STUOZXQJSJLDEG-NSHDSACASA-N 0 3 297.284 2.422 20 30 CEEDHN C=CCC[C@H](NCCNS(=O)(=O)CC)c1ccccc1 ZINC000159940068 366960898 /nfs/dbraw/zinc/96/08/98/366960898.db2.gz QHINVHPUFPZFQT-HNNXBMFYSA-N 0 3 296.436 2.223 20 30 CEEDHN CCc1ccc([C@@H](CNc2ccnc(C#N)n2)N(C)C)cc1 ZINC000583213683 367017668 /nfs/dbraw/zinc/01/76/68/367017668.db2.gz CVQHRQOOPPYJGW-OAHLLOKOSA-N 0 3 295.390 2.047 20 30 CEEDHN CCC[C@H](C)N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000340880975 367071466 /nfs/dbraw/zinc/07/14/66/367071466.db2.gz CRAVPHUABYHROF-ZDUSSCGKSA-N 0 3 273.380 2.295 20 30 CEEDHN CC[C@H](C)CN(C)CC(=O)NCc1cccc(C#N)c1 ZINC000341026280 367139894 /nfs/dbraw/zinc/13/98/94/367139894.db2.gz KIJZWSCWHFOLGA-ZDUSSCGKSA-N 0 3 273.380 2.152 20 30 CEEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCCCCC#N ZINC000588381787 367193028 /nfs/dbraw/zinc/19/30/28/367193028.db2.gz ZTHGNYLMYMTJNJ-HNNXBMFYSA-N 0 3 295.427 2.030 20 30 CEEDHN CN(C)[C@@]1(CNC(=O)CCCCCC#N)CCSC1 ZINC000588631318 367194718 /nfs/dbraw/zinc/19/47/18/367194718.db2.gz WTAANEYEHAHKDB-CQSZACIVSA-N 0 3 283.441 2.014 20 30 CEEDHN C=C(C)CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000162910330 367203051 /nfs/dbraw/zinc/20/30/51/367203051.db2.gz ZZXYUAHIVBPNKB-HNNXBMFYSA-N 0 3 275.396 2.035 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000596673372 367208585 /nfs/dbraw/zinc/20/85/85/367208585.db2.gz IBFNBAHMMWCMKZ-NSHDSACASA-N 0 3 293.317 2.051 20 30 CEEDHN CC(C)[C@@H](C(=O)NCC1(C#N)CCCCC1)N(C)C ZINC000598309249 367211328 /nfs/dbraw/zinc/21/13/28/367211328.db2.gz WMFCWOKOJYTLIQ-ZDUSSCGKSA-N 0 3 265.401 2.163 20 30 CEEDHN C#CCCCCC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000245612366 370849200 /nfs/dbraw/zinc/84/92/00/370849200.db2.gz TZXMDFHJGTYDSY-GJZGRUSLSA-N 0 3 262.397 2.123 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H](C)C[S@](C)=O ZINC000168150830 367348924 /nfs/dbraw/zinc/34/89/24/367348924.db2.gz UNBIRPWXZZHELM-KPZWWZAWSA-N 0 3 267.394 2.108 20 30 CEEDHN CN(C)CCN(C)c1cccc(Br)c1C#N ZINC000168543438 367355472 /nfs/dbraw/zinc/35/54/72/367355472.db2.gz UGLJYNDPZXHQJQ-UHFFFAOYSA-N 0 3 282.185 2.319 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000342437524 367409417 /nfs/dbraw/zinc/40/94/17/367409417.db2.gz NJPMLUABKOGPAY-YQQAZPJKSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CC[C@@H](C)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000342531344 367418054 /nfs/dbraw/zinc/41/80/54/367418054.db2.gz SYOOFXIRYPAEHG-KGLIPLIRSA-N 0 3 265.401 2.221 20 30 CEEDHN CCCNC(=O)[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000342670413 367477177 /nfs/dbraw/zinc/47/71/77/367477177.db2.gz RVNFSCZNXDNNSH-KRWDZBQOSA-N 0 3 299.418 2.491 20 30 CEEDHN C#CCNC(=O)[C@@H](C)Nc1cccc2c1CN(CCCC)C2 ZINC000171124459 367482909 /nfs/dbraw/zinc/48/29/09/367482909.db2.gz QMSWEMIPPZZOIZ-CQSZACIVSA-N 0 3 299.418 2.352 20 30 CEEDHN C=CCN1CCC(NC(=O)NCc2cccc(C#N)c2)CC1 ZINC000171710259 367600182 /nfs/dbraw/zinc/60/01/82/367600182.db2.gz QSDNOJYTQYYJPF-UHFFFAOYSA-N 0 3 298.390 2.008 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2ccc(OC)cc2)CC1 ZINC000171725417 367604607 /nfs/dbraw/zinc/60/46/07/367604607.db2.gz GDLLWXFYKPILIQ-UHFFFAOYSA-N 0 3 288.391 2.004 20 30 CEEDHN C[C@H]1C[C@H](N(C)C(=O)Cc2ccc(C#N)cc2)CCN1C ZINC000172618736 367789919 /nfs/dbraw/zinc/78/99/19/367789919.db2.gz JKOCCEWVUJGQFR-XJKSGUPXSA-N 0 3 285.391 2.042 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2ccccc2)CC1 ZINC000172620725 367790206 /nfs/dbraw/zinc/79/02/06/367790206.db2.gz IGHRYCOPJXGPQP-UHFFFAOYSA-N 0 3 258.365 2.411 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCC1(O)CCCC1 ZINC000343399929 367793419 /nfs/dbraw/zinc/79/34/19/367793419.db2.gz AZFZTBHUCOPJEK-HNNXBMFYSA-N 0 3 286.375 2.180 20 30 CEEDHN CC1(C)[C@@H]2CN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@@H]21 ZINC000172973954 367850725 /nfs/dbraw/zinc/85/07/25/367850725.db2.gz WBBLZEQVBLRTJM-OWCLPIDISA-N 0 3 295.386 2.251 20 30 CEEDHN CCCN1CCC[C@@H]1CNC(=O)c1ccc(CC#N)cc1 ZINC000343598125 367907910 /nfs/dbraw/zinc/90/79/10/367907910.db2.gz IBLRPTPCUDVJSQ-MRXNPFEDSA-N 0 3 285.391 2.357 20 30 CEEDHN C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)CCCN1C ZINC000343589460 367901988 /nfs/dbraw/zinc/90/19/88/367901988.db2.gz GWFKPALCOALHGG-MFKMUULPSA-N 0 3 274.324 2.361 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000343771303 367995201 /nfs/dbraw/zinc/99/52/01/367995201.db2.gz VERZFZSGKYVMAW-HIFRSBDPSA-N 0 3 280.412 2.101 20 30 CEEDHN CC(C#N)C(=O)NCCc1nc(-c2ccccn2)cs1 ZINC000343662670 367944079 /nfs/dbraw/zinc/94/40/79/367944079.db2.gz SABMBTQTXZNSNF-JTQLQIEISA-N 0 3 286.360 2.023 20 30 CEEDHN CS[C@@H]1CN(Cc2cccc(C#N)c2F)C[C@@H]1N(C)C ZINC000343675375 367948867 /nfs/dbraw/zinc/94/88/67/367948867.db2.gz SQMFELYKIZYTAY-UONOGXRCSA-N 0 3 293.411 2.175 20 30 CEEDHN C[C@@H](NCCNC(=O)c1ccco1)c1ccc(C#N)cc1 ZINC000173867902 367952901 /nfs/dbraw/zinc/95/29/01/367952901.db2.gz HCNJAODBWSTJEM-GFCCVEGCSA-N 0 3 283.331 2.232 20 30 CEEDHN CC[C@H](C)CN(CC)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000343693453 367957524 /nfs/dbraw/zinc/95/75/24/367957524.db2.gz VTEZGYRTHSSMBA-SWLSCSKDSA-N 0 3 273.380 2.453 20 30 CEEDHN C[C@H]1CN(C(C)(C)CNCc2ccc(C#N)o2)C[C@H](C)O1 ZINC000174252819 368002150 /nfs/dbraw/zinc/00/21/50/368002150.db2.gz MWFQXGGYOULQIG-STQMWFEESA-N 0 3 291.395 2.129 20 30 CEEDHN N#Cc1cccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000174443286 368024705 /nfs/dbraw/zinc/02/47/05/368024705.db2.gz FOZXVOFCQIUXEE-OAHLLOKOSA-N 0 3 282.347 2.036 20 30 CEEDHN CCN(CCC#N)C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000344189765 368112926 /nfs/dbraw/zinc/11/29/26/368112926.db2.gz QITHUOMASVRZMA-CQSZACIVSA-N 0 3 265.401 2.259 20 30 CEEDHN CC(C#N)C(=O)N1CCC(=O)C[C@H]1c1ccccc1 ZINC000633166323 368088443 /nfs/dbraw/zinc/08/84/43/368088443.db2.gz VQPDFIXCCYKZGQ-RISCZKNCSA-N 0 3 256.305 2.079 20 30 CEEDHN CC[C@@H](CC(F)(F)F)N[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345115253 368159185 /nfs/dbraw/zinc/15/91/85/368159185.db2.gz SYESFWYVUPGZJL-ZJUUUORDSA-N 0 3 291.317 2.258 20 30 CEEDHN C=CCOc1cccc(CN[C@](C)(CCO)COC)c1 ZINC000175857684 368184280 /nfs/dbraw/zinc/18/42/80/368184280.db2.gz QRPFEPFHVRALSR-MRXNPFEDSA-N 0 3 279.380 2.129 20 30 CEEDHN C=CCN1CCC(NC(=O)CC(O)(CCC)CCC)CC1 ZINC000178814956 368311687 /nfs/dbraw/zinc/31/16/87/368311687.db2.gz BIYYEVDIAXJVCM-UHFFFAOYSA-N 0 3 296.455 2.474 20 30 CEEDHN C=CCNC(=O)CN[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000180035233 368364832 /nfs/dbraw/zinc/36/48/32/368364832.db2.gz FUZKFAAALNHYOL-KBPBESRZSA-N 0 3 280.412 2.006 20 30 CEEDHN CC(C)(C)[C@H](NCC(=O)NCC#N)c1cccc(F)c1 ZINC000181067897 368417906 /nfs/dbraw/zinc/41/79/06/368417906.db2.gz UQIZQPMHLUAJHG-CQSZACIVSA-N 0 3 277.343 2.142 20 30 CEEDHN CCN(CCC#N)C(=O)CN[C@@H](C)c1ccccc1 ZINC000181346308 368445982 /nfs/dbraw/zinc/44/59/82/368445982.db2.gz PFSIGKZAQSFPNK-ZDUSSCGKSA-N 0 3 259.353 2.099 20 30 CEEDHN C[C@H](NCCN1CCCC1)c1ccc(C#N)c(F)c1 ZINC000346092791 368543393 /nfs/dbraw/zinc/54/33/93/368543393.db2.gz YREUMXAXCWEKLZ-LBPRGKRZSA-N 0 3 261.344 2.444 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)NC[C@@H](C)C#N)N(C)C)cc1 ZINC000182615639 368571319 /nfs/dbraw/zinc/57/13/19/368571319.db2.gz VMSMZACSDIADBX-ZFWWWQNUSA-N 0 3 288.395 2.057 20 30 CEEDHN CCN1C[C@H](C)N(Cc2cccc(C#N)c2)C[C@H]1C ZINC000346176003 368577307 /nfs/dbraw/zinc/57/73/07/368577307.db2.gz VSPDLQAIOACAGN-KGLIPLIRSA-N 0 3 257.381 2.473 20 30 CEEDHN 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CCN(CC(=O)NC1(C#N)CCCCC1)CC1CCC1 ZINC000361486717 371872565 /nfs/dbraw/zinc/87/25/65/371872565.db2.gz SBJNMDPBIUMYFN-UHFFFAOYSA-N 0 3 277.412 2.451 20 30 CEEDHN COC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000264173923 371983793 /nfs/dbraw/zinc/98/37/93/371983793.db2.gz WDPXNKKXUXMVEC-UHFFFAOYSA-N 0 3 260.337 2.200 20 30 CEEDHN C=CCN(CCOC)Cc1ccc2c(c1)ncn2C ZINC000361646843 371999954 /nfs/dbraw/zinc/99/99/54/371999954.db2.gz IRPXKXFTUJSHTN-UHFFFAOYSA-N 0 3 259.353 2.208 20 30 CEEDHN C=CCOCCCC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000361779870 372068404 /nfs/dbraw/zinc/06/84/04/372068404.db2.gz FBWMGPZUUWWRIJ-OAHLLOKOSA-N 0 3 280.412 2.056 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1cccc(C)c1C ZINC000268818217 372239972 /nfs/dbraw/zinc/23/99/72/372239972.db2.gz OJGKFLKYJFWWDG-CQSZACIVSA-N 0 3 258.365 2.094 20 30 CEEDHN COCCOC[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000344304964 217143477 /nfs/dbraw/zinc/14/34/77/217143477.db2.gz ORCBTWMSWTWZEC-CHWSQXEVSA-N 0 3 262.353 2.260 20 30 CEEDHN C=CCOc1ccc(CN2CCC[C@H](CO)C2)cc1OC ZINC000269365479 372432396 /nfs/dbraw/zinc/43/23/96/372432396.db2.gz QTDQHUPUOSYHIC-HNNXBMFYSA-N 0 3 291.391 2.464 20 30 CEEDHN C[C@@H]1CCC[C@@H](CO)N1CCOc1cccc(C#N)c1 ZINC000269704308 372540685 /nfs/dbraw/zinc/54/06/85/372540685.db2.gz NBXJLNNMLPGXLL-HIFRSBDPSA-N 0 3 274.364 2.172 20 30 CEEDHN C=C[C@H](C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000362702138 372493578 /nfs/dbraw/zinc/49/35/78/372493578.db2.gz ALWNXUMWRUOTJJ-LBPRGKRZSA-N 0 3 261.369 2.122 20 30 CEEDHN CCCN1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000362921563 372572482 /nfs/dbraw/zinc/57/24/82/372572482.db2.gz GIJGWSVSMBFRMV-UHFFFAOYSA-N 0 3 257.381 2.394 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc(F)c(Cl)c1 ZINC000641766758 372706628 /nfs/dbraw/zinc/70/66/28/372706628.db2.gz BHXXRVHCCIAMHZ-LLVKDONJSA-N 0 3 255.720 2.343 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cnc(-c2ccco2)s1 ZINC000641768129 372707169 /nfs/dbraw/zinc/70/71/69/372707169.db2.gz XAKXPURCNKUSEK-NSHDSACASA-N 0 3 276.361 2.267 20 30 CEEDHN CC#CC[C@H](CO)NCc1cnc(-c2ccco2)s1 ZINC000641768128 372707889 /nfs/dbraw/zinc/70/78/89/372707889.db2.gz XAKXPURCNKUSEK-LLVKDONJSA-N 0 3 276.361 2.267 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc(SC)c(OC)c1 ZINC000641768921 372709484 /nfs/dbraw/zinc/70/94/84/372709484.db2.gz LSDUXMQCTYIHJB-CYBMUJFWSA-N 0 3 279.405 2.281 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](NCCSCCCO)CC2 ZINC000353427440 220075097 /nfs/dbraw/zinc/07/50/97/220075097.db2.gz OHTHFHUUHVAWBN-HNNXBMFYSA-N 0 3 276.405 2.251 20 30 CEEDHN C=C(C)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365823874 372946732 /nfs/dbraw/zinc/94/67/32/372946732.db2.gz WZQCIJMPICJNOD-UHFFFAOYSA-N 0 3 250.302 2.004 20 30 CEEDHN CC(C)(C)N1CC[C@](F)(C(=O)N(CC#N)C2CCCC2)C1 ZINC000365821060 372947405 /nfs/dbraw/zinc/94/74/05/372947405.db2.gz TUBMFLYOMLEXMT-MRXNPFEDSA-N 0 3 295.402 2.494 20 30 CEEDHN C=C(C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000368100648 373219425 /nfs/dbraw/zinc/21/94/25/373219425.db2.gz QPFWQHPCQXLGKJ-AWEZNQCLSA-N 0 3 256.365 2.233 20 30 CEEDHN Cc1ccccc1CN1CCCN([C@H](C)C#N)CC1 ZINC000368183375 373225117 /nfs/dbraw/zinc/22/51/17/373225117.db2.gz WYAHWPPJDMPLEV-OAHLLOKOSA-N 0 3 257.381 2.415 20 30 CEEDHN C=CCN(CC=C)[C@H](CN1C(=O)N[C@H](CC)C1=O)C(C)C ZINC000272274288 373402529 /nfs/dbraw/zinc/40/25/29/373402529.db2.gz NOUDUTRHCRNDCT-ZIAGYGMSSA-N 0 3 293.411 2.015 20 30 CEEDHN N#Cc1ccc(CN2CCC(CN3CCCC3=O)CC2)cc1 ZINC000369809808 373512864 /nfs/dbraw/zinc/51/28/64/373512864.db2.gz GKZGQMICHMGBIV-UHFFFAOYSA-N 0 3 297.402 2.393 20 30 CEEDHN Cc1cccc(CN2CCC(n3cnc(C#N)n3)CC2)c1 ZINC000370124033 373586493 /nfs/dbraw/zinc/58/64/93/373586493.db2.gz UTBVKKVDKUGRDP-UHFFFAOYSA-N 0 3 281.363 2.295 20 30 CEEDHN C#CCOc1ccc([C@H](C)NC[C@H](COC)OC)cc1 ZINC000272639883 373594966 /nfs/dbraw/zinc/59/49/66/373594966.db2.gz CHKWRIBLBYJGTH-XJKSGUPXSA-N 0 3 277.364 2.011 20 30 CEEDHN CN1C[C@H]2[C@@H](CCN2CC#Cc2cccc(Cl)c2)C1 ZINC000644730791 373636722 /nfs/dbraw/zinc/63/67/22/373636722.db2.gz WBXUQAXCOORGHZ-HOCLYGCPSA-N 0 3 274.795 2.327 20 30 CEEDHN 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CEEDHN N#Cc1ccc(CNC(=O)CN2CCCC23CCC3)cc1 ZINC000373094830 374264959 /nfs/dbraw/zinc/26/49/59/374264959.db2.gz LHVXTYJGIMZQLJ-UHFFFAOYSA-N 0 3 283.375 2.193 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc3c(c2)CCCN3)CC1 ZINC000645944963 374303525 /nfs/dbraw/zinc/30/35/25/374303525.db2.gz UIJVDRYLDRZKAK-UHFFFAOYSA-N 0 3 299.418 2.425 20 30 CEEDHN Cn1cc(CNCCOc2ccc(F)cc2)cc1C#N ZINC000277089532 374400829 /nfs/dbraw/zinc/40/08/29/374400829.db2.gz RPAPJKWKQADSCA-UHFFFAOYSA-N 0 3 273.311 2.204 20 30 CEEDHN CN(Cc1cc(C#N)n(C)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000373822069 374427235 /nfs/dbraw/zinc/42/72/35/374427235.db2.gz WOGUHDURQGYIET-RRFJBIMHSA-N 0 3 273.380 2.142 20 30 CEEDHN COc1cc(CN2C[C@H]3CCC[C@@H](C2)C3O)ccc1C#N ZINC000374207351 374513275 /nfs/dbraw/zinc/51/32/75/374513275.db2.gz WHRXQHZFIBYOGT-FKEKPDDDSA-N 0 3 286.375 2.160 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374396083 374562848 /nfs/dbraw/zinc/56/28/48/374562848.db2.gz WYFLEPJVLYYWPC-XHSDSOJGSA-N 0 3 294.439 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C[C@H]1CN(Cc2ccc(C#N)cc2F)[C@@H](C)CN1C ZINC000334322488 206368534 /nfs/dbraw/zinc/36/85/34/206368534.db2.gz YBTNPDDBXYJTPN-RYUDHWBXSA-N 0 3 261.344 2.222 20 30 CEEDHN Cc1cnn([C@H]2CCN(C[C@@H](O)c3ccc(C#N)cc3)C2)c1 ZINC000290082790 376635399 /nfs/dbraw/zinc/63/53/99/376635399.db2.gz ZBWRLTHZPKNVSS-DLBZAZTESA-N 0 3 296.374 2.044 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N(C)C[C@H]1CCCN1C ZINC000420844177 376723993 /nfs/dbraw/zinc/72/39/93/376723993.db2.gz OPRFTPPCPDBEHN-CYBMUJFWSA-N 0 3 267.417 2.324 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000559761642 376691911 /nfs/dbraw/zinc/69/19/11/376691911.db2.gz FWZNMPRKJBSXJC-SFHVURJKSA-N 0 3 299.418 2.245 20 30 CEEDHN COc1cc(CN(C)CCCn2ccnc2)ccc1C#N ZINC000290585407 376843746 /nfs/dbraw/zinc/84/37/46/376843746.db2.gz UXDQAVTWDJDMAG-UHFFFAOYSA-N 0 3 284.363 2.285 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)[C@H]1CCCC(=O)N1 ZINC000328692690 376881704 /nfs/dbraw/zinc/88/17/04/376881704.db2.gz FIXYQHYAFZCCSW-NWDGAFQWSA-N 0 3 267.373 2.326 20 30 CEEDHN O=C(Nc1nc2cccnc2[nH]1)C1CCN(C2CC2)CC1 ZINC000328781617 376896524 /nfs/dbraw/zinc/89/65/24/376896524.db2.gz UWNOYIGCHTUUGS-UHFFFAOYSA-N 0 3 285.351 2.420 20 30 CEEDHN COc1ccc(CC(=O)NC2CCN(C3CC3)CC2)nc1 ZINC000328778665 376896948 /nfs/dbraw/zinc/89/69/48/376896948.db2.gz LSZGFIUZPKUZBT-UHFFFAOYSA-N 0 3 289.379 2.216 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)NCCC1(O)CCC1 ZINC000328910364 376922974 /nfs/dbraw/zinc/92/29/74/376922974.db2.gz NJENIWQVUVGYRC-LBPRGKRZSA-N 0 3 254.374 2.122 20 30 CEEDHN O=C(N[C@H]1CCN(C2CC2)C1)c1cccc2c[nH]nc21 ZINC000329332609 376946389 /nfs/dbraw/zinc/94/63/89/376946389.db2.gz WRXQTARATILDNZ-NSHDSACASA-N 0 3 270.336 2.104 20 30 CEEDHN CCN(CC(=O)NC1(C#N)CCCCC1)C1CCC1 ZINC000562902270 377019178 /nfs/dbraw/zinc/01/91/78/377019178.db2.gz DMNASUXSEUSKAR-UHFFFAOYSA-N 0 3 263.385 2.203 20 30 CEEDHN CCN1CCC[C@H](NC(=O)[C@@H]2CC(=O)N[C@H](C)C2)C1 ZINC000329667827 376986051 /nfs/dbraw/zinc/98/60/51/376986051.db2.gz LPNHJUMXSHPFJR-WOPDTQHZSA-N 0 3 267.373 2.182 20 30 CEEDHN C=C[C@](C)(O)CC(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000291435696 377195080 /nfs/dbraw/zinc/19/50/80/377195080.db2.gz LWTGVMDONWXANR-INIZCTEOSA-N 0 3 276.380 2.322 20 30 CEEDHN C#CCOc1ccc(CN2CC[C@H](n3cccn3)C2)cc1 ZINC000291285660 377157222 /nfs/dbraw/zinc/15/72/22/377157222.db2.gz PBYGOCFGGKHMAB-INIZCTEOSA-N 0 3 281.359 2.342 20 30 CEEDHN C[C@H](C(=O)NCCc1cccc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000330538620 377177293 /nfs/dbraw/zinc/17/72/93/377177293.db2.gz QOXLZOGAOULLHZ-QLFBSQMISA-N 0 3 299.418 2.478 20 30 CEEDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)NCc1cccc(C#N)c1 ZINC000330943106 377207524 /nfs/dbraw/zinc/20/75/24/377207524.db2.gz HDOPBRMCQHHGJH-CZUORRHYSA-N 0 3 285.391 2.295 20 30 CEEDHN C#CCN(C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000292459353 377247443 /nfs/dbraw/zinc/24/74/43/377247443.db2.gz PACMXYAWDYQKSN-MRXNPFEDSA-N 0 3 287.407 2.126 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292467779 377247790 /nfs/dbraw/zinc/24/77/90/377247790.db2.gz ZMUKNQSPAJWMHK-INIZCTEOSA-N 0 3 262.397 2.309 20 30 CEEDHN C=CCN1CCC(NC(=O)C(C)(C)C(=C)C)CC1 ZINC000424656588 377279621 /nfs/dbraw/zinc/27/96/21/377279621.db2.gz YHCWOASPPPLRIV-UHFFFAOYSA-N 0 3 250.386 2.355 20 30 CEEDHN C=CCC1(C(=O)N[C@H](C)C2=CCN(C)CC2)CCOCC1 ZINC000424759106 377291940 /nfs/dbraw/zinc/29/19/40/377291940.db2.gz JZSSCXGEJLMYQA-CQSZACIVSA-N 0 3 292.423 2.126 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H](c3cccnc3)C2)nc1 ZINC000563820587 377298054 /nfs/dbraw/zinc/29/80/54/377298054.db2.gz KGOSOFAOLANTIH-OAHLLOKOSA-N 0 3 264.332 2.338 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)CCC(=O)N(C)CCC#N ZINC000425541389 377368999 /nfs/dbraw/zinc/36/89/99/377368999.db2.gz WUNFSYOEHFELGG-CQSZACIVSA-N 0 3 298.390 2.313 20 30 CEEDHN CC(C)[C@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CCCO1 ZINC000292964576 377371888 /nfs/dbraw/zinc/37/18/88/377371888.db2.gz GDGNVRUIKSIUOA-IAGOWNOFSA-N 0 3 288.391 2.339 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)NCC1(N(C)C)CCC1 ZINC000426235044 377395702 /nfs/dbraw/zinc/39/57/02/377395702.db2.gz FKWDUUAXTQQXMJ-CYBMUJFWSA-N 0 3 265.401 2.221 20 30 CEEDHN CS[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000331352448 377396227 /nfs/dbraw/zinc/39/62/27/377396227.db2.gz ZJSLDGSNZCRVRJ-LLVKDONJSA-N 0 3 295.433 2.386 20 30 CEEDHN C#CCCOc1ccc(CN[C@H](C)Cn2cccn2)cc1 ZINC000264953289 190147241 /nfs/dbraw/zinc/14/72/41/190147241.db2.gz LFQUFUSEVOAIHR-OAHLLOKOSA-N 0 3 283.375 2.464 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N(CCN(C)C)C1CCCC1 ZINC000331244782 377342848 /nfs/dbraw/zinc/34/28/48/377342848.db2.gz ZVHHHVTUEIBNQB-UHFFFAOYSA-N 0 3 289.379 2.406 20 30 CEEDHN N#Cc1cccc(OCCN2CCN(C3CCC3)CC2)c1 ZINC000264974041 190148813 /nfs/dbraw/zinc/14/88/13/190148813.db2.gz IYYBKSJSQSRSMR-UHFFFAOYSA-N 0 3 285.391 2.107 20 30 CEEDHN C#CCCNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000265060604 190155152 /nfs/dbraw/zinc/15/51/52/190155152.db2.gz LTNPLLDWMGSFIO-AWEZNQCLSA-N 0 3 293.436 2.454 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCN(C(C)C)CC1 ZINC000428224885 377488904 /nfs/dbraw/zinc/48/89/04/377488904.db2.gz DGEHBNBGEKDFFO-INIZCTEOSA-N 0 3 295.471 2.216 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000428624002 377498167 /nfs/dbraw/zinc/49/81/67/377498167.db2.gz IMWOMCRVNQPMHR-RITPCOANSA-N 0 3 277.271 2.499 20 30 CEEDHN C=CCN(C)CCN(CC)CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000429698319 377519932 /nfs/dbraw/zinc/51/99/32/377519932.db2.gz BXPMBSYAHSVSHY-HOTGVXAUSA-N 0 3 295.471 2.121 20 30 CEEDHN C=CCCN1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000265801029 190207968 /nfs/dbraw/zinc/20/79/68/190207968.db2.gz OANLDVPEIRTWDQ-UHFFFAOYSA-N 0 3 276.428 2.332 20 30 CEEDHN CC(C#N)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431420343 377641758 /nfs/dbraw/zinc/64/17/58/377641758.db2.gz SSMKRBJQOOQNTC-VIFPVBQESA-N 0 3 261.281 2.106 20 30 CEEDHN C=CCn1cc(CN[C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)nn1 ZINC000566095062 377724880 /nfs/dbraw/zinc/72/48/80/377724880.db2.gz BNPRNRUIZQLGJA-RRFJBIMHSA-N 0 3 290.411 2.149 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(c2cc(C)cc(C)c2)CC1 ZINC000294024243 377875332 /nfs/dbraw/zinc/87/53/32/377875332.db2.gz QTHQRUZKZGFRAX-UHFFFAOYSA-N 0 3 298.430 2.406 20 30 CEEDHN COc1cc(NCCN[C@H]2CC[C@H](C#N)C2)cc(OC)c1 ZINC000442841098 378006566 /nfs/dbraw/zinc/00/65/66/378006566.db2.gz FMXIXOLQULTNKN-STQMWFEESA-N 0 3 289.379 2.398 20 30 CEEDHN C#CCNC(=O)CCN1CCc2c(cccc2C(C)C)C1 ZINC000294594883 377998951 /nfs/dbraw/zinc/99/89/51/377998951.db2.gz NHNFZRSGHKZKND-UHFFFAOYSA-N 0 3 284.403 2.308 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC(CC)(CC)C1 ZINC000446735888 378085706 /nfs/dbraw/zinc/08/57/06/378085706.db2.gz RBWKFLGRFHBQGN-UHFFFAOYSA-N 0 3 265.401 2.261 20 30 CEEDHN C=CC[C@@H]1N(CCCS(C)(=O)=O)CCCC1(C)C ZINC000444784775 378080302 /nfs/dbraw/zinc/08/03/02/378080302.db2.gz WMYLFNQMULNKBM-ZDUSSCGKSA-N 0 3 273.442 2.488 20 30 CEEDHN C=CC[C@H]1N(CC(=O)NCCCOC)CCCC1(C)C ZINC000444784794 378080641 /nfs/dbraw/zinc/08/06/41/378080641.db2.gz WPVCCSWZMLNEMG-CQSZACIVSA-N 0 3 282.428 2.206 20 30 CEEDHN CCN(CC)[C@H](CNc1nccc(C#N)n1)c1ccco1 ZINC000295533334 378200068 /nfs/dbraw/zinc/20/00/68/378200068.db2.gz NOTNDCUHHGACTQ-CYBMUJFWSA-N 0 3 285.351 2.436 20 30 CEEDHN Cc1noc([C@@H]2CCN(CCOc3ccccc3C#N)C2)n1 ZINC000346242528 217851225 /nfs/dbraw/zinc/85/12/25/217851225.db2.gz OSGSAOZEYBQZQE-CQSZACIVSA-N 0 3 298.346 2.118 20 30 CEEDHN C=CCOc1ccc(CC(=O)N2CCNC(C)(C)C2)cc1 ZINC000450080839 378287176 /nfs/dbraw/zinc/28/71/76/378287176.db2.gz HBPDYMAOQHUQKM-UHFFFAOYSA-N 0 3 288.391 2.004 20 30 CEEDHN C=CCOc1ccccc1CN1C[C@@H](C)C[C@H](O)C1 ZINC000449764687 378229178 /nfs/dbraw/zinc/22/91/78/378229178.db2.gz DAADJOGZRNJYGR-ZFWWWQNUSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCC[C@@H](NCCN1CCC(O)CC1)c1ccco1 ZINC000295991022 378384109 /nfs/dbraw/zinc/38/41/09/378384109.db2.gz PPEKDCIKHJJKGF-OAHLLOKOSA-N 0 3 278.396 2.333 20 30 CEEDHN Cc1nccn1C[C@@H]1CCCN1CC1(C#N)CCC1 ZINC000450467688 378434727 /nfs/dbraw/zinc/43/47/27/378434727.db2.gz DTRMUCBZOGZGIV-AWEZNQCLSA-N 0 3 258.369 2.350 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@H]1C[C@H](OCC)C12CCC2 ZINC000296336149 378495942 /nfs/dbraw/zinc/49/59/42/378495942.db2.gz RADGPOIZYMBOKR-GJZGRUSLSA-N 0 3 292.423 2.124 20 30 CEEDHN C[C@@H](CO)[C@@H](C)NCC#Cc1ccccc1Cl ZINC000450736623 378554962 /nfs/dbraw/zinc/55/49/62/378554962.db2.gz GLNCBTHZDTYQLT-NWDGAFQWSA-N 0 3 251.757 2.298 20 30 CEEDHN C#Cc1ccc(CNC(=O)N(C)CC2CCN(C)CC2)cc1 ZINC000296877575 378655404 /nfs/dbraw/zinc/65/54/04/378655404.db2.gz MYFNTXBWWFYEFB-UHFFFAOYSA-N 0 3 299.418 2.151 20 30 CEEDHN CN(C(=O)/C=C/c1ccc(C#N)cc1)[C@H]1CCCN(C)C1 ZINC000266158024 190235764 /nfs/dbraw/zinc/23/57/64/190235764.db2.gz PYOOMDJKCMBVIV-SCOAYWHSSA-N 0 3 283.375 2.124 20 30 CEEDHN C[C@H](CNC(=O)c1cccc(C#N)c1)N1CCC[C@H](C)C1 ZINC000298481003 378739099 /nfs/dbraw/zinc/73/90/99/378739099.db2.gz DONNMJRWLQYCMV-UONOGXRCSA-N 0 3 285.391 2.408 20 30 CEEDHN C[C@H](CNC(=O)c1cccc(C#N)c1)N1CCC[C@@H](C)C1 ZINC000298481006 378739744 /nfs/dbraw/zinc/73/97/44/378739744.db2.gz DONNMJRWLQYCMV-ZIAGYGMSSA-N 0 3 285.391 2.408 20 30 CEEDHN CC1CCN(CCNC(=O)/C=C/c2ccccc2C#N)CC1 ZINC000298504281 378748306 /nfs/dbraw/zinc/74/83/06/378748306.db2.gz QDMYAXHEVPMJNV-VOTSOKGWSA-N 0 3 297.402 2.420 20 30 CEEDHN C[C@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C ZINC000298404179 378717688 /nfs/dbraw/zinc/71/76/88/378717688.db2.gz RWXWPUPYXCXHFS-SECBINFHSA-N 0 3 280.759 2.283 20 30 CEEDHN COC[C@@H](NCc1ccc(C#N)c(F)c1)C1CCOCC1 ZINC000453370120 378876766 /nfs/dbraw/zinc/87/67/66/378876766.db2.gz FNAZTYCRTUYTLU-MRXNPFEDSA-N 0 3 292.354 2.229 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278869980 194191846 /nfs/dbraw/zinc/19/18/46/194191846.db2.gz OCPWRZMUTCFZLX-UONOGXRCSA-N 0 3 294.370 2.391 20 30 CEEDHN CC(C)(C)N1CCCN(c2ncc(C#N)cc2F)CC1 ZINC000520363986 379462173 /nfs/dbraw/zinc/46/21/73/379462173.db2.gz LVLVVJMVOYEYNZ-UHFFFAOYSA-N 0 3 276.359 2.403 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)N(C)c1cccc(C#N)c1 ZINC000524959973 379644836 /nfs/dbraw/zinc/64/48/36/379644836.db2.gz RNIHSPLIDFOBRU-STQMWFEESA-N 0 3 271.364 2.394 20 30 CEEDHN COC(=O)CC1(NCc2cc(C#N)cs2)CCC1 ZINC000347687179 218323163 /nfs/dbraw/zinc/32/31/63/218323163.db2.gz UFCKXGMKEWORKX-UHFFFAOYSA-N 0 3 264.350 2.195 20 30 CEEDHN C[C@@H](O)C[C@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000305237722 379694804 /nfs/dbraw/zinc/69/48/04/379694804.db2.gz ZAURXAPYFJEAQE-CZUORRHYSA-N 0 3 261.340 2.413 20 30 CEEDHN Cc1ccccc1[C@H]1CN(C(=O)C(C)C#N)CCO1 ZINC000525253120 379654550 /nfs/dbraw/zinc/65/45/50/379654550.db2.gz NCCUCYFHMWWLIL-GXTWGEPZSA-N 0 3 258.321 2.055 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000347711904 218330878 /nfs/dbraw/zinc/33/08/78/218330878.db2.gz ZLYLCKUPVWEBJI-ZIAGYGMSSA-N 0 3 257.381 2.473 20 30 CEEDHN C=CCCC1(C(=O)NC[C@@H]2CCCN(C)C2)CC1 ZINC000526996555 379719567 /nfs/dbraw/zinc/71/95/67/379719567.db2.gz NRTJQHMBVZGQGE-ZDUSSCGKSA-N 0 3 250.386 2.191 20 30 CEEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)NC1(C#N)CCC1 ZINC000527377137 379755008 /nfs/dbraw/zinc/75/50/08/379755008.db2.gz SICAUFCKGCZEAV-RDBSUJKOSA-N 0 3 275.396 2.202 20 30 CEEDHN CCN(CC#Cc1ccc(Cl)cc1)CCCO ZINC000267381524 190325388 /nfs/dbraw/zinc/32/53/88/190325388.db2.gz MOKQZTBCOMVZJF-UHFFFAOYSA-N 0 3 251.757 2.396 20 30 CEEDHN CC(C)(CNCc1cccc(C#N)c1)C(=O)N1CCCC1 ZINC000527812633 379823778 /nfs/dbraw/zinc/82/37/78/379823778.db2.gz WIMKPQFQLWPHLR-UHFFFAOYSA-N 0 3 285.391 2.296 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cnnc3ccccc32)CC1 ZINC000528447279 379973310 /nfs/dbraw/zinc/97/33/10/379973310.db2.gz FYQVOOKKJBHRRW-UHFFFAOYSA-N 0 3 296.374 2.010 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2[C@@H](C)[C@@H]2C2CC2)CC1 ZINC000528447379 379973610 /nfs/dbraw/zinc/97/36/10/379973610.db2.gz HBURGGPOSIFUTN-APHBMKBZSA-N 0 3 276.424 2.435 20 30 CEEDHN N#Cc1ccc(CNCCNc2ccccn2)c(F)c1 ZINC000347839832 218373310 /nfs/dbraw/zinc/37/33/10/218373310.db2.gz YJGPBPJUVAVDED-UHFFFAOYSA-N 0 3 270.311 2.294 20 30 CEEDHN C[C@@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)[C@H]1C ZINC000528398740 379958163 /nfs/dbraw/zinc/95/81/63/379958163.db2.gz VGWMDGHQTFWWFY-KGLIPLIRSA-N 0 3 296.370 2.016 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C)[C@@H](C(C)C)C1 ZINC000488042724 380089798 /nfs/dbraw/zinc/08/97/98/380089798.db2.gz OYEIOSRJWPLOFJ-JKSUJKDBSA-N 0 3 295.471 2.072 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000468770480 380069498 /nfs/dbraw/zinc/06/94/98/380069498.db2.gz AXVUUEAOYUFKDK-KLHDSHLOSA-N 0 3 294.439 2.204 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1Cc2c1cccc2Cl ZINC000528919967 380135100 /nfs/dbraw/zinc/13/51/00/380135100.db2.gz NWINDSGEKGHXMH-VXGBXAGGSA-N 0 3 290.750 2.213 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cnn(C2CC2)c1 ZINC000528920702 380135244 /nfs/dbraw/zinc/13/52/44/380135244.db2.gz QUTGNERQNLDECB-AWEZNQCLSA-N 0 3 294.314 2.179 20 30 CEEDHN CCO[C@@H]1C[C@H](NC(=O)C(C)C#N)C1(CC)CC ZINC000488131098 380091817 /nfs/dbraw/zinc/09/18/17/380091817.db2.gz UBBCWKYFWJJVRR-SDDRHHMPSA-N 0 3 252.358 2.246 20 30 CEEDHN CC[C@H](CNC(=O)C(C)C#N)Oc1cccc(C)c1 ZINC000488420773 380094938 /nfs/dbraw/zinc/09/49/38/380094938.db2.gz JEXJMAMQDFVQGU-CHWSQXEVSA-N 0 3 260.337 2.428 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C/c1cccc(C#N)c1 ZINC000268137277 190380101 /nfs/dbraw/zinc/38/01/01/190380101.db2.gz CPTCZOODXPJUEU-GBFFFSQQSA-N 0 3 295.386 2.170 20 30 CEEDHN C[C@H]1C[C@@H]1N1CCN(c2cnccc2C#N)C[C@@H](C)C1 ZINC000488737894 380125810 /nfs/dbraw/zinc/12/58/10/380125810.db2.gz SHJXUFYHVPYARY-YDHLFZDLSA-N 0 3 270.380 2.120 20 30 CEEDHN CC(C)N(CCC#N)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000530817471 380205027 /nfs/dbraw/zinc/20/50/27/380205027.db2.gz ZAKWWJAMIYIODV-STQMWFEESA-N 0 3 251.374 2.010 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(F)cn1 ZINC000529554907 380179324 /nfs/dbraw/zinc/17/93/24/380179324.db2.gz GGIVZTPMIVUZRI-FZMZJTMJSA-N 0 3 250.317 2.292 20 30 CEEDHN N#CCc1cccc(C(=O)NC[C@@H]2CCN2C2CCCC2)c1 ZINC000530027046 380192889 /nfs/dbraw/zinc/19/28/89/380192889.db2.gz WFKQYPJDIVHUON-KRWDZBQOSA-N 0 3 297.402 2.499 20 30 CEEDHN C[C@H]1CCN(C)CCN1C(=O)Nc1cccc(C#N)c1 ZINC000334351513 380286424 /nfs/dbraw/zinc/28/64/24/380286424.db2.gz GOZKLYJZRCJQMI-LBPRGKRZSA-N 0 3 272.352 2.116 20 30 CEEDHN C[C@@H](NC(=O)/C=C\c1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000492451237 380560716 /nfs/dbraw/zinc/56/07/16/380560716.db2.gz WXWXCIXIHJOURP-WBTMPAOCSA-N 0 3 295.386 2.338 20 30 CEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cscc2C#N)C1 ZINC000334557377 380588563 /nfs/dbraw/zinc/58/85/63/380588563.db2.gz DKDZSSWZDYROSJ-BXUZGUMPSA-N 0 3 289.404 2.176 20 30 CEEDHN N#Cc1ncn(CCN[C@H](CC2CC2)c2ccccc2)n1 ZINC000552335149 380700202 /nfs/dbraw/zinc/70/02/02/380700202.db2.gz KHIXWFZLCTYWAV-OAHLLOKOSA-N 0 3 281.363 2.281 20 30 CEEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)COCC ZINC000279302051 194376401 /nfs/dbraw/zinc/37/64/01/194376401.db2.gz MHDYSGMVVYCZCF-MRXNPFEDSA-N 0 3 263.381 2.462 20 30 CEEDHN C[C@@H](NCc1cc(C#N)n(C)c1)[C@H](O)c1ccccc1 ZINC000288656551 197138063 /nfs/dbraw/zinc/13/80/63/197138063.db2.gz VLMWVPFMWAGQHP-WBMJQRKESA-N 0 3 269.348 2.108 20 30 CEEDHN C[C@H](NCCCN1CCOC1=O)c1ccc(C#N)cc1F ZINC000495282155 381167784 /nfs/dbraw/zinc/16/77/84/381167784.db2.gz RXAUXGHKPBYVKY-NSHDSACASA-N 0 3 291.326 2.190 20 30 CEEDHN C[C@H](N[C@@]1(C)CCO[C@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000494265571 381157474 /nfs/dbraw/zinc/15/74/74/381157474.db2.gz QHJXYALYNMDHNO-MKBNYLNASA-N 0 3 287.363 2.042 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000494879954 381163239 /nfs/dbraw/zinc/16/32/39/381163239.db2.gz RFNUMSCYJWOZAG-CHWSQXEVSA-N 0 3 265.401 2.219 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000496621796 381220743 /nfs/dbraw/zinc/22/07/43/381220743.db2.gz HKEZUISJFMUACH-WDEREUQCSA-N 0 3 295.383 2.050 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](F)C2)cc1 ZINC000574818268 335050151 /nfs/dbraw/zinc/05/01/51/335050151.db2.gz PWQSLPPAWGEODO-GJZGRUSLSA-N 0 3 285.322 2.201 20 30 CEEDHN CC[C@@H](C)[C@H](O)CNCc1ccc(C#N)c(OC)c1 ZINC000281558467 195287133 /nfs/dbraw/zinc/28/71/33/195287133.db2.gz BRQVWKAEWPHSLY-BXUZGUMPSA-N 0 3 262.353 2.063 20 30 CEEDHN CO[C@H]1CCN(CCOc2ccccc2C#N)[C@H](C)C1 ZINC000281770338 195374251 /nfs/dbraw/zinc/37/42/51/195374251.db2.gz SIQNFZLUTIAPPZ-HIFRSBDPSA-N 0 3 274.364 2.436 20 30 CEEDHN COc1cc(CNCc2ccn(C)c2)ccc1C#N ZINC000281819673 195395883 /nfs/dbraw/zinc/39/58/83/195395883.db2.gz WTOCBNCUFVEMPS-UHFFFAOYSA-N 0 3 255.321 2.195 20 30 CEEDHN COc1ccc(CCNC(=O)C(C)C#N)c(Cl)c1OC ZINC000354727273 533490556 /nfs/dbraw/zinc/49/05/56/533490556.db2.gz JZJBFUYYSGBFLS-VIFPVBQESA-N 0 3 296.754 2.176 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](CO)[C@@H]1C ZINC000412068915 533494782 /nfs/dbraw/zinc/49/47/82/533494782.db2.gz FJJWOEHTBOLKBG-WFASDCNBSA-N 0 3 274.364 2.160 20 30 CEEDHN COC(=O)[C@]1(C)CCCN(Cc2cccc(C#N)c2)C1 ZINC000412108773 533589307 /nfs/dbraw/zinc/58/93/07/533589307.db2.gz SQAFDMXWDHZCFM-MRXNPFEDSA-N 0 3 272.348 2.333 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(CC#N)cc2)CCN1C ZINC000336481441 533629920 /nfs/dbraw/zinc/62/99/20/533629920.db2.gz ZDEMFZAUMVCBKV-DOMZBBRYSA-N 0 3 286.379 2.357 20 30 CEEDHN C[C@@H]1CC(O)C[C@@H](C)N1CCOc1ccc(C#N)cc1 ZINC000191284325 130215886 /nfs/dbraw/zinc/21/58/86/130215886.db2.gz LAVQMGFJKVPNIG-CHWSQXEVSA-N 0 3 274.364 2.171 20 30 CEEDHN C[C@@H]1CC(O)C[C@@H](C)N1CCOc1cccc(C#N)c1 ZINC000191284838 130216021 /nfs/dbraw/zinc/21/60/21/130216021.db2.gz LDFMXJNAUPVAMD-CHWSQXEVSA-N 0 3 274.364 2.171 20 30 CEEDHN C[C@@H](C[C@H](O)c1ccccc1)NCc1cc(C#N)n(C)c1 ZINC000191513601 130247319 /nfs/dbraw/zinc/24/73/19/130247319.db2.gz LMBQOVZUXXLUFN-GUYCJALGSA-N 0 3 283.375 2.499 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@]1(C)CCCCN1 ZINC000237509704 131036876 /nfs/dbraw/zinc/03/68/76/131036876.db2.gz OZEDTEHCUSOWMO-KRWDZBQOSA-N 0 3 288.391 2.400 20 30 CEEDHN C[C@H](C(=O)N(C)C1(C#N)CCC1)N1[C@H](C)CC[C@@H]1C ZINC000413251250 394512816 /nfs/dbraw/zinc/51/28/16/394512816.db2.gz WNKCJFFSBLTFTB-FRRDWIJNSA-N 0 3 263.385 2.152 20 30 CEEDHN CC1=CCN(CCNCc2ccc(C#N)c(F)c2)CC1 ZINC000421336865 394502459 /nfs/dbraw/zinc/50/24/59/394502459.db2.gz BCEYOBXEYIEXQQ-UHFFFAOYSA-N 0 3 273.355 2.439 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@]1(C)CCCOC1 ZINC000329103319 394560431 /nfs/dbraw/zinc/56/04/31/394560431.db2.gz CAVKGLVBBRVDHV-IJEWVQPXSA-N 0 3 297.443 2.180 20 30 CEEDHN CCN1CCC(NC(=O)Cn2cnc3c2CCCC3)CC1 ZINC000329422916 394563392 /nfs/dbraw/zinc/56/33/92/394563392.db2.gz FWGLKAXNPJYGBW-UHFFFAOYSA-N 0 3 290.411 2.203 20 30 CEEDHN C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000329823350 394588097 /nfs/dbraw/zinc/58/80/97/394588097.db2.gz ZMRLEYQDUJGUST-PAPYEOQZSA-N 0 3 296.411 2.010 20 30 CEEDHN N#Cc1ccc2ncc(CN3CCC[C@H](CCO)CC3)n2c1 ZINC000421398234 394523557 /nfs/dbraw/zinc/52/35/57/394523557.db2.gz NYAGJBTWZUCKAK-AWEZNQCLSA-N 0 3 298.390 2.190 20 30 CEEDHN CC[C@@H](C(=O)N(CCC#N)CCC(C)C)N(C)C ZINC000413362968 394535601 /nfs/dbraw/zinc/53/56/01/394535601.db2.gz QPGVVFACUUBYSO-ZDUSSCGKSA-N 0 3 253.390 2.115 20 30 CEEDHN CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CCn2ccnc2C1 ZINC000330309517 394600478 /nfs/dbraw/zinc/60/04/78/394600478.db2.gz MWDMOIKIGIJOQI-UONOGXRCSA-N 0 3 290.411 2.417 20 30 CEEDHN CCN1CCC(NC(=O)c2cc(C)nc(OC)c2)CC1 ZINC000330394688 394604528 /nfs/dbraw/zinc/60/45/28/394604528.db2.gz DETJYBJGWXPMAP-UHFFFAOYSA-N 0 3 277.368 2.188 20 30 CEEDHN CC(C)(C#N)CCCN1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000330572160 394619493 /nfs/dbraw/zinc/61/94/93/394619493.db2.gz NFSSDXKEZNPDQN-KFWWJZLASA-N 0 3 280.412 2.178 20 30 CEEDHN C[C@@H](NC(=O)N(C)Cc1ccc[nH]1)C1=CCN(C)CC1 ZINC000330783598 394625610 /nfs/dbraw/zinc/62/56/10/394625610.db2.gz ZZPNSWQLCRUOAH-GFCCVEGCSA-N 0 3 276.384 2.011 20 30 CEEDHN C#CCN(CC)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000266943404 394671323 /nfs/dbraw/zinc/67/13/23/394671323.db2.gz RXFUCEOYJBRPTB-UHFFFAOYSA-N 0 3 289.766 2.495 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)C2(C#N)CCC2)c1 ZINC000265605155 394650580 /nfs/dbraw/zinc/65/05/80/394650580.db2.gz NFDDHJAPBHLUSN-UHFFFAOYSA-N 0 3 257.337 2.381 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc(CC#N)cc2)CCN1C ZINC000270329066 394731017 /nfs/dbraw/zinc/73/10/17/394731017.db2.gz MWRYARPMJSQMIP-CZUORRHYSA-N 0 3 285.391 2.307 20 30 CEEDHN CC(C#N)C(=O)NCc1ccncc1OCc1ccccc1 ZINC000359132199 394742249 /nfs/dbraw/zinc/74/22/49/394742249.db2.gz LNFXPPVJRFROTH-ZDUSSCGKSA-N 0 3 295.342 2.436 20 30 CEEDHN CC(C#N)C(=O)N1CCc2c([nH]c3ccccc32)C1 ZINC000334466856 394687967 /nfs/dbraw/zinc/68/79/67/394687967.db2.gz DRAKDOGHXPIEEC-JTQLQIEISA-N 0 3 253.305 2.212 20 30 CEEDHN N#Cc1cc(Cl)ccc1N1CCN2CCC[C@@H]2C1 ZINC000096474811 394693282 /nfs/dbraw/zinc/69/32/82/394693282.db2.gz DIWGATOFUVWOHI-CYBMUJFWSA-N 0 3 261.756 2.496 20 30 CEEDHN C[C@H]1CCCCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000358416273 394721603 /nfs/dbraw/zinc/72/16/03/394721603.db2.gz VUSHSBKVYGJWGN-AWEZNQCLSA-N 0 3 285.391 2.439 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272438253 394772239 /nfs/dbraw/zinc/77/22/39/394772239.db2.gz OFEWQJQKUHATLU-ZBFHGGJFSA-N 0 3 298.390 2.425 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000119899900 394772537 /nfs/dbraw/zinc/77/25/37/394772537.db2.gz BLIBHDQLQGEDGS-HUUCEWRRSA-N 0 3 280.412 2.054 20 30 CEEDHN CC[C@H](C(=O)N[C@H](C#N)C(C)(C)C)N(CC)CC ZINC000359857881 394778084 /nfs/dbraw/zinc/77/80/84/394778084.db2.gz 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/nfs/dbraw/zinc/81/37/33/394813733.db2.gz NVGJMOMZKDFBMH-LLVKDONJSA-N 0 3 260.328 2.266 20 30 CEEDHN C=CC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000336042134 394820773 /nfs/dbraw/zinc/82/07/73/394820773.db2.gz UEIGJOZJLWDZLA-GXTWGEPZSA-N 0 3 265.401 2.077 20 30 CEEDHN C=C(C)COCCNC(=O)c1ccccc1CN(C)C ZINC000362912265 394870529 /nfs/dbraw/zinc/87/05/29/394870529.db2.gz FGZOLXMWOMOHPX-UHFFFAOYSA-N 0 3 276.380 2.071 20 30 CEEDHN C[C@@H](C#N)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000125040257 394841443 /nfs/dbraw/zinc/84/14/43/394841443.db2.gz DNKZNYMBFLSLON-JSGCOSHPSA-N 0 3 289.354 2.066 20 30 CEEDHN C[C@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1CO ZINC000362073753 394843577 /nfs/dbraw/zinc/84/35/77/394843577.db2.gz ZCIUQLVAPCZDFK-JSGCOSHPSA-N 0 3 263.768 2.252 20 30 CEEDHN Cc1ccc(Cl)cc1N1CCN(C(=O)C(C)C#N)CC1 ZINC000336393761 394850857 /nfs/dbraw/zinc/85/08/57/394850857.db2.gz VZJXDXOQPOFRME-GFCCVEGCSA-N 0 3 291.782 2.457 20 30 CEEDHN CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1cc(C#N)n(C)c1 ZINC000365232805 394923341 /nfs/dbraw/zinc/92/33/41/394923341.db2.gz FTQRJXRGUYDWEF-HZPDHXFCSA-N 0 3 286.423 2.345 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000338672475 394926078 /nfs/dbraw/zinc/92/60/78/394926078.db2.gz DBPJIMBCBKYOCL-GJZGRUSLSA-N 0 3 280.412 2.054 20 30 CEEDHN CCOC(=O)[C@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC000283252651 394931633 /nfs/dbraw/zinc/93/16/33/394931633.db2.gz VMPMEUOCGXNWEP-KGLIPLIRSA-N 0 3 259.349 2.215 20 30 CEEDHN N#CCCOCCN1CC[C@@H](Nc2ccccc2)C1 ZINC000339031942 394937455 /nfs/dbraw/zinc/93/74/55/394937455.db2.gz TWUSGIAOLQEQMN-OAHLLOKOSA-N 0 3 259.353 2.103 20 30 CEEDHN COC(=O)[C@H](C)[C@H](NCCOCCC#N)c1ccccc1 ZINC000339041986 394938490 /nfs/dbraw/zinc/93/84/90/394938490.db2.gz DNTSJSQTYYDZLO-HIFRSBDPSA-N 0 3 290.363 2.057 20 30 CEEDHN C=CCOCCN(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000339053686 394939041 /nfs/dbraw/zinc/93/90/41/394939041.db2.gz FWPFXPVMIDVDRB-KGLIPLIRSA-N 0 3 271.426 2.176 20 30 CEEDHN CC(C)(C)[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C[C@H]1O ZINC000339077405 394940408 /nfs/dbraw/zinc/94/04/08/394940408.db2.gz QRAGIZZIGXARPB-REWJHTLYSA-N 0 3 250.386 2.408 20 30 CEEDHN N#CCCOCCN1CC[C@H](n2ncc3ccccc32)C1 ZINC000339081042 394940786 /nfs/dbraw/zinc/94/07/86/394940786.db2.gz GSSUTKDOKZMCQX-HNNXBMFYSA-N 0 3 284.363 2.213 20 30 CEEDHN CCN(CCC#N)C(=O)CN1C[C@@H]2CCCCCC[C@@H]21 ZINC000366247531 394941029 /nfs/dbraw/zinc/94/10/29/394941029.db2.gz QFQQMAYODWBVPS-GJZGRUSLSA-N 0 3 277.412 2.403 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@H](Oc3ccncc3)C2)C1 ZINC000339134157 394944863 /nfs/dbraw/zinc/94/48/63/394944863.db2.gz HCTJFPMGBPHNEE-UMVBOHGHSA-N 0 3 257.337 2.227 20 30 CEEDHN C=CCNC(=O)CN[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000284578865 394946264 /nfs/dbraw/zinc/94/62/64/394946264.db2.gz ZDWZSUQMXLTCCJ-LSDHHAIUSA-N 0 3 288.391 2.124 20 30 CEEDHN CC[C@@H]1CN(CCCCC#N)C[C@]2(CCCOC2)O1 ZINC000366566469 394949534 /nfs/dbraw/zinc/94/95/34/394949534.db2.gz AELVHWZKCQQCPP-CABCVRRESA-N 0 3 266.385 2.340 20 30 CEEDHN C=CCOCCCC(=O)N1CCCN(CC2CCC2)CC1 ZINC000339200940 394950390 /nfs/dbraw/zinc/95/03/90/394950390.db2.gz DJJIZRPACKLSJI-UHFFFAOYSA-N 0 3 294.439 2.304 20 30 CEEDHN CCN(CCC#N)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415952617 394985756 /nfs/dbraw/zinc/98/57/56/394985756.db2.gz HOEYCTKJPURRHD-UHFFFAOYSA-N 0 3 290.342 2.239 20 30 CEEDHN COC(=O)[C@H](C)[C@@H](NCCCC#N)c1ccccc1 ZINC000152092113 394987141 /nfs/dbraw/zinc/98/71/41/394987141.db2.gz OKNCTQJMSYDDHI-TZMCWYRMSA-N 0 3 260.337 2.430 20 30 CEEDHN CCN1CCC(Nc2snc(C)c2C#N)CC1 ZINC000286008703 394999111 /nfs/dbraw/zinc/99/91/11/394999111.db2.gz DYIAHMPAGSMXRE-UHFFFAOYSA-N 0 3 250.371 2.219 20 30 CEEDHN C[C@@H](CC#N)N(C)C(=O)[C@H](C)N1CCCCCC1 ZINC000155805147 395030102 /nfs/dbraw/zinc/03/01/02/395030102.db2.gz SSRSBFXMAZSOAL-STQMWFEESA-N 0 3 251.374 2.011 20 30 CEEDHN CCN(CC)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000342861716 395025388 /nfs/dbraw/zinc/02/53/88/395025388.db2.gz WFBLEMZSCOOPKG-GFCCVEGCSA-N 0 3 251.374 2.059 20 30 CEEDHN C=CCC[C@H](NCC1(C(N)=O)CCOCC1)c1ccco1 ZINC000285706008 394962108 /nfs/dbraw/zinc/96/21/08/394962108.db2.gz PIGWZZFTYUKVQD-ZDUSSCGKSA-N 0 3 292.379 2.159 20 30 CEEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)C[C@H](C)N1C ZINC000339630574 394965323 /nfs/dbraw/zinc/96/53/23/394965323.db2.gz OJNQEQBIMJJHBV-GASCZTMLSA-N 0 3 279.428 2.111 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H](C)C(C)(F)F)CC1 ZINC000339999757 394976650 /nfs/dbraw/zinc/97/66/50/394976650.db2.gz QONPIHPVICFBBD-JTQLQIEISA-N 0 3 260.328 2.044 20 30 CEEDHN C#CCCCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000373454927 395060783 /nfs/dbraw/zinc/06/07/83/395060783.db2.gz CGJSRNHSYBNYBL-QGZVFWFLSA-N 0 3 299.418 2.221 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)N(C)CCC#N ZINC000425541387 395061427 /nfs/dbraw/zinc/06/14/27/395061427.db2.gz WUNFSYOEHFELGG-AWEZNQCLSA-N 0 3 298.390 2.313 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC000345606936 395070769 /nfs/dbraw/zinc/07/07/69/395070769.db2.gz TYVNTTOXJZCZMT-STQMWFEESA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC000345606934 395070893 /nfs/dbraw/zinc/07/08/93/395070893.db2.gz TYVNTTOXJZCZMT-OLZOCXBDSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000426041016 395072130 /nfs/dbraw/zinc/07/21/30/395072130.db2.gz CDRGKHLKKMLCSW-MGPQQGTHSA-N 0 3 277.412 2.362 20 30 CEEDHN C#Cc1ccc(CNCCC(=O)N2CCCCC2)cc1 ZINC000289229643 395072822 /nfs/dbraw/zinc/07/28/22/395072822.db2.gz KATDBAIADIIAFG-UHFFFAOYSA-N 0 3 270.376 2.160 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000345691566 395073359 /nfs/dbraw/zinc/07/33/59/395073359.db2.gz AYAXOJYXEBKLIA-XHSDSOJGSA-N 0 3 294.439 2.204 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](N)CC(F)F ZINC000345722130 395074248 /nfs/dbraw/zinc/07/42/48/395074248.db2.gz WFYHCJOUHGLSBU-ZDUSSCGKSA-N 0 3 298.333 2.192 20 30 CEEDHN C=CCOCCCN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1OC ZINC000345794219 395077556 /nfs/dbraw/zinc/07/75/56/395077556.db2.gz RCBAMBUJSHMGNW-XHSDSOJGSA-N 0 3 283.412 2.095 20 30 CEEDHN CC[C@@H](C(=O)N(CC)C[C@H](C)C#N)N(CC)CC ZINC000345800810 395078042 /nfs/dbraw/zinc/07/80/42/395078042.db2.gz OZIGVULLGXFUEK-OLZOCXBDSA-N 0 3 253.390 2.115 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000374278074 395078863 /nfs/dbraw/zinc/07/88/63/395078863.db2.gz DGWSKVPRNBAJBW-RDBSUJKOSA-N 0 3 265.401 2.077 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000345861483 395080975 /nfs/dbraw/zinc/08/09/75/395080975.db2.gz UTXOYMPJNFZWGA-SOUVJXGZSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCCCN1[C@@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000374511190 395083275 /nfs/dbraw/zinc/08/32/75/395083275.db2.gz ATBHVFIHDRYRCL-MQYQWHSLSA-N 0 3 267.369 2.136 20 30 CEEDHN C=C[C@H](CO)N[C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000289719369 395084588 /nfs/dbraw/zinc/08/45/88/395084588.db2.gz JNRXNXBYKFIYMX-ZYHUDNBSSA-N 0 3 282.771 2.194 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc(N(CC)CC)c(F)c1 ZINC000289758578 395085678 /nfs/dbraw/zinc/08/56/78/395085678.db2.gz HXZBVTQUJFQYJR-ZDUSSCGKSA-N 0 3 266.360 2.308 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc2cc(OC)ccc2c1 ZINC000289780147 395086204 /nfs/dbraw/zinc/08/62/04/395086204.db2.gz JKRAHGLCXZSLOC-HNNXBMFYSA-N 0 3 257.333 2.485 20 30 CEEDHN C=C[C@H](CO)N[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000289848916 395088779 /nfs/dbraw/zinc/08/87/79/395088779.db2.gz QIMDZPRCMPJGER-TZMCWYRMSA-N 0 3 291.395 2.414 20 30 CEEDHN CCC1(C)CCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346268295 395092600 /nfs/dbraw/zinc/09/26/00/395092600.db2.gz UWYVMCCPCPIVBY-CYBMUJFWSA-N 0 3 277.412 2.449 20 30 CEEDHN CC#CCCN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000156575018 395032593 /nfs/dbraw/zinc/03/25/93/395032593.db2.gz INJBJVHDKPOWOJ-UHFFFAOYSA-N 0 3 291.439 2.496 20 30 CEEDHN CC#CCCN1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000156516872 395032688 /nfs/dbraw/zinc/03/26/88/395032688.db2.gz KPCUJYJFUQVSFX-UHFFFAOYSA-N 0 3 275.352 2.047 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)C1CCN(C)CC1 ZINC000287179833 395035244 /nfs/dbraw/zinc/03/52/44/395035244.db2.gz HIFAUDZIINHYDP-QGZVFWFLSA-N 0 3 284.403 2.079 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)NCCN(C)C1CC1 ZINC000287310456 395038066 /nfs/dbraw/zinc/03/80/66/395038066.db2.gz ZYGHZIIURCANQC-MRXNPFEDSA-N 0 3 299.418 2.014 20 30 CEEDHN C#CCN1CCC(C(=O)NCC23CCC(CC2)C3)CC1 ZINC000372295809 395038949 /nfs/dbraw/zinc/03/89/49/395038949.db2.gz BEUYXJUYJCICPL-UHFFFAOYSA-N 0 3 274.408 2.028 20 30 CEEDHN CC(C)(CC#N)CNC(=O)CCN1CCc2ccccc2C1 ZINC000416255890 395039733 /nfs/dbraw/zinc/03/97/33/395039733.db2.gz XZPJLYPNRSBKNK-UHFFFAOYSA-N 0 3 299.418 2.491 20 30 CEEDHN CC(C)[C@@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346969476 395115206 /nfs/dbraw/zinc/11/52/06/395115206.db2.gz FPPRLUZIIAHOGY-ZIAGYGMSSA-N 0 3 277.412 2.305 20 30 CEEDHN CN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCN(C2CC2)C1 ZINC000347006143 395116372 /nfs/dbraw/zinc/11/63/72/395116372.db2.gz FLHSZYCBIBVNKJ-MRXNPFEDSA-N 0 3 283.375 2.061 20 30 CEEDHN CC(C)[C@@H](CNC(=O)[C@@H](C)C#N)N1CCc2ccccc2C1 ZINC000347034332 395117647 /nfs/dbraw/zinc/11/76/47/395117647.db2.gz IRQVGNIYUSAGOU-WMLDXEAASA-N 0 3 299.418 2.345 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000347010140 395117660 /nfs/dbraw/zinc/11/76/60/395117660.db2.gz HRYCDSUYFKMEAQ-QLFBSQMISA-N 0 3 282.428 2.204 20 30 CEEDHN CC(C)[C@H](CC(F)(F)F)NCC(=O)NC1(C#N)CCC1 ZINC000347154705 395120088 /nfs/dbraw/zinc/12/00/88/395120088.db2.gz BMBBXMUIHAPTAR-JTQLQIEISA-N 0 3 291.317 2.115 20 30 CEEDHN CC(C)[C@H]1CN(C)CCN1Cc1ccc(F)c(C#N)c1 ZINC000436482116 395120812 /nfs/dbraw/zinc/12/08/12/395120812.db2.gz GTRJRWVVFJZKKC-MRXNPFEDSA-N 0 3 275.371 2.469 20 30 CEEDHN N#Cc1cccc(NC(=O)N2CCC(N3CC=CC3)CC2)c1 ZINC000174371788 395124182 /nfs/dbraw/zinc/12/41/82/395124182.db2.gz SDCMCLXEUFNWJN-UHFFFAOYSA-N 0 3 296.374 2.426 20 30 CEEDHN C[C@H]1CCC[C@@H](N(C)CC(=O)NC2(C#N)CCC2)C1 ZINC000346826005 395109584 /nfs/dbraw/zinc/10/95/84/395109584.db2.gz DFOXQRHQXGFRIP-QWHCGFSZSA-N 0 3 263.385 2.059 20 30 CEEDHN CC(C)n1c(CNC(=O)C(C)C#N)nc2ccccc21 ZINC000346848199 395110562 /nfs/dbraw/zinc/11/05/62/395110562.db2.gz PSWXEVYEEJLNKQ-NSHDSACASA-N 0 3 270.336 2.393 20 30 CEEDHN C[C@H]1[C@@H](Nc2c(C#N)cccc2C#N)CCCN1C ZINC000436364175 395112008 /nfs/dbraw/zinc/11/20/08/395112008.db2.gz RWXNYVWEEIDCSM-FZMZJTMJSA-N 0 3 254.337 2.325 20 30 CEEDHN C=CCOCCCN1C[C@H]2CCCCN2C[C@@H]1C ZINC000348039438 395134162 /nfs/dbraw/zinc/13/41/62/395134162.db2.gz DCYBLRVYAKOFKO-LSDHHAIUSA-N 0 3 252.402 2.138 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)CN1[C@H](C)CC[C@H]1C ZINC000428038637 395134254 /nfs/dbraw/zinc/13/42/54/395134254.db2.gz OPBCITVTHUYBOP-MGPQQGTHSA-N 0 3 250.386 2.426 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@@H](OCC)C(C)C)CC1 ZINC000348784978 395151120 /nfs/dbraw/zinc/15/11/20/395151120.db2.gz BACFWLOZFVAGRN-OAHLLOKOSA-N 0 3 282.428 2.204 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000177539444 395151473 /nfs/dbraw/zinc/15/14/73/395151473.db2.gz FAWSYBIWXDAXEQ-DZKIICNBSA-N 0 3 270.376 2.002 20 30 CEEDHN COC(=O)c1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000348903913 395153718 /nfs/dbraw/zinc/15/37/18/395153718.db2.gz IQGSFRPXOBIUOP-RISCZKNCSA-N 0 3 258.321 2.255 20 30 CEEDHN C=CCc1cc(CN2CC[C@H](C)[C@@H](O)C2)cc(OC)c1O ZINC000349366598 395167128 /nfs/dbraw/zinc/16/71/28/395167128.db2.gz JUMJXTXTDKUUTK-WFASDCNBSA-N 0 3 291.391 2.332 20 30 CEEDHN CCN(CC#Cc1ccc(Cl)cc1)[C@@H](C)CO ZINC000293434826 395233904 /nfs/dbraw/zinc/23/39/04/395233904.db2.gz OCSPJBDFPJSSKG-LBPRGKRZSA-N 0 3 251.757 2.394 20 30 CEEDHN C=CCC[C@H](O)CN1CCc2c(cccc2OC)C1 ZINC000182676051 395247089 /nfs/dbraw/zinc/24/70/89/395247089.db2.gz UNMWJHSBMKPKLK-AWEZNQCLSA-N 0 3 261.365 2.380 20 30 CEEDHN C=CCOCCN1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000293721022 395248979 /nfs/dbraw/zinc/24/89/79/395248979.db2.gz YNDFDNFKPXZPNJ-QGZVFWFLSA-N 0 3 293.382 2.255 20 30 CEEDHN C#CCN(C)CCCNc1ccnc2cc(F)cnc21 ZINC000292930493 395210625 /nfs/dbraw/zinc/21/06/25/395210625.db2.gz ZHPVEVMPOGIYAY-UHFFFAOYSA-N 0 3 272.327 2.136 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC([C@@H](C)O)CC1 ZINC000186228266 395286650 /nfs/dbraw/zinc/28/66/50/395286650.db2.gz JKRPOSRPYJRDIN-CYBMUJFWSA-N 0 3 258.365 2.460 20 30 CEEDHN C=CCOCCN(C[C@H](O)COc1ccccc1)C(C)C ZINC000294031885 395262875 /nfs/dbraw/zinc/26/28/75/395262875.db2.gz IDHMXNFYSLHEQH-INIZCTEOSA-N 0 3 293.407 2.339 20 30 CEEDHN C=CC[C@H](CO)[NH2+]Cc1ccc(OCCC)cc1[O-] ZINC000184284982 395271078 /nfs/dbraw/zinc/27/10/78/395271078.db2.gz WHJGTHXFUKCYTA-CYBMUJFWSA-N 0 3 265.353 2.208 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(CCC)CCN1CCCC1 ZINC000352871591 395272626 /nfs/dbraw/zinc/27/26/26/395272626.db2.gz BSTIPEDVWWCFAX-UHFFFAOYSA-N 0 3 295.471 2.219 20 30 CEEDHN Cc1cccc(CN(CCN(C)C)c2cncc(C#N)n2)c1 ZINC000420604670 395383764 /nfs/dbraw/zinc/38/37/64/395383764.db2.gz SINMVGSZUJLNSF-UHFFFAOYSA-N 0 3 295.390 2.225 20 30 CEEDHN N#C[C@H](NC(=O)C1CCN(C2CC2)CC1)C1CCCCC1 ZINC000192797404 395392468 /nfs/dbraw/zinc/39/24/68/395392468.db2.gz QDATZKYUKWHBEW-INIZCTEOSA-N 0 3 289.423 2.449 20 30 CEEDHN CCCN(CCN1CCCCC1)c1cncc(C#N)n1 ZINC000420630907 395392726 /nfs/dbraw/zinc/39/27/26/395392726.db2.gz SUNQMNRKFFRFAP-UHFFFAOYSA-N 0 3 273.384 2.051 20 30 CEEDHN C[C@@H]1[C@H](N[C@H]2CC[C@@H](C#N)C2)CC(=O)N1Cc1ccccc1 ZINC000442865728 395396165 /nfs/dbraw/zinc/39/61/65/395396165.db2.gz IYVAHDNPQKCREV-MXASKKJJSA-N 0 3 297.402 2.458 20 30 CEEDHN C=CCN(C)CCN(CC)[C@@H](C)c1ncc(C)o1 ZINC000411646464 395334004 /nfs/dbraw/zinc/33/40/04/395334004.db2.gz VPIKBYZAFHDVLB-ZDUSSCGKSA-N 0 3 251.374 2.484 20 30 CEEDHN C=CCN(C)CCN(CC)[C@H](C)c1nnc(C)s1 ZINC000411644279 395334491 /nfs/dbraw/zinc/33/44/91/395334491.db2.gz QZIPSWSECPVGMC-LLVKDONJSA-N 0 3 268.430 2.347 20 30 CEEDHN Cn1ccnc1[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC000534581803 395463181 /nfs/dbraw/zinc/46/31/81/395463181.db2.gz ZXZCUXKISXGZCX-HNNXBMFYSA-N 0 3 266.348 2.281 20 30 CEEDHN N#Cc1ccnc(C(=O)NC[C@@H]2CCN2C2CCCCC2)c1 ZINC000529719975 395439295 /nfs/dbraw/zinc/43/92/95/395439295.db2.gz YYOVFRLPGOIBMY-HNNXBMFYSA-N 0 3 298.390 2.090 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC[C@@H](C#N)CCC#N ZINC000567891822 395540329 /nfs/dbraw/zinc/54/03/29/395540329.db2.gz UZPMFNRMGGLYTG-HUUCEWRRSA-N 0 3 262.401 2.284 20 30 CEEDHN N#CCCC1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000567948533 395543864 /nfs/dbraw/zinc/54/38/64/395543864.db2.gz GUNSCNOGAVSPKL-OAHLLOKOSA-N 0 3 275.396 2.156 20 30 CEEDHN CN1CC[C@@H](NCc2ccc(C#N)cn2)[C@H]1c1ccccc1 ZINC000566017865 395495642 /nfs/dbraw/zinc/49/56/42/395495642.db2.gz MWQQCSDZHDGYAN-QZTJIDSGSA-N 0 3 292.386 2.488 20 30 CEEDHN N#Cc1ccccc1CN[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000449510213 395552190 /nfs/dbraw/zinc/55/21/90/395552190.db2.gz PTRQAIIWNJIHLR-SJORKVTESA-N 0 3 270.376 2.445 20 30 CEEDHN CN(CCNC[C@H](C#N)CCC#N)Cc1ccc(F)cc1 ZINC000570323090 395581828 /nfs/dbraw/zinc/58/18/28/395581828.db2.gz RTFISSRGLQFANC-HNNXBMFYSA-N 0 3 288.370 2.291 20 30 CEEDHN C=CCN(CCCC(=O)NC)Cc1cccc([N+](=O)[O-])c1 ZINC000570737009 395583338 /nfs/dbraw/zinc/58/33/38/395583338.db2.gz PYWVSLUWWOFYND-UHFFFAOYSA-N 0 3 291.351 2.109 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNC[C@@H](C#N)CCC#N ZINC000572870502 395592023 /nfs/dbraw/zinc/59/20/23/395592023.db2.gz RMHRCRWGYKSRMK-QLFBSQMISA-N 0 3 262.401 2.282 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)NCCN1CCCC1(C)C ZINC000457046340 395634638 /nfs/dbraw/zinc/63/46/38/395634638.db2.gz BUVBFSLSTMXFMT-UHFFFAOYSA-N 0 3 285.391 2.471 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCC(=O)N[C@@H]1C1CC1)CC2 ZINC000574847948 395638580 /nfs/dbraw/zinc/63/85/80/395638580.db2.gz NFLYIYCFYOOQKM-JFIYKMOQSA-N 0 3 295.386 2.192 20 30 CEEDHN CCN1C[C@H](C)N(c2ccc(C#N)c(C)n2)C[C@H]1C ZINC000488107983 395668178 /nfs/dbraw/zinc/66/81/78/395668178.db2.gz RNQLYZJOSVJBTB-NEPJUHHUSA-N 0 3 258.369 2.181 20 30 CEEDHN CN(CCN1CCCC1)C(=O)/C=C\c1cccc(C#N)c1 ZINC000491462559 395669706 /nfs/dbraw/zinc/66/97/06/395669706.db2.gz GMZAXXYFKKHJTN-FPLPWBNLSA-N 0 3 283.375 2.126 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(F)cc(Cl)c1 ZINC000491475440 395669968 /nfs/dbraw/zinc/66/99/68/395669968.db2.gz WTOILDRIVIZKDA-UHFFFAOYSA-N 0 3 282.746 2.164 20 30 CEEDHN C#CC(C)(C)N(C)Cc1cc2ccccc2n(C)c1=O ZINC000491626162 395670220 /nfs/dbraw/zinc/67/02/20/395670220.db2.gz IFOZHHCGVCPSPO-UHFFFAOYSA-N 0 3 268.360 2.382 20 30 CEEDHN CCN1CCCN(C(=O)/C=C\c2cccc(C#N)c2)CC1 ZINC000491753246 395670698 /nfs/dbraw/zinc/67/06/98/395670698.db2.gz VDPGYJHETNWDQT-FPLPWBNLSA-N 0 3 283.375 2.126 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(C#N)cc2)CCN1C ZINC000491935551 395670858 /nfs/dbraw/zinc/67/08/58/395670858.db2.gz YIEYLXPJYSCNQN-CBDHMYSDSA-N 0 3 283.375 2.170 20 30 CEEDHN C=CCN(CCc1cn[nH]n1)Cc1ccc(OC)cc1 ZINC000647959716 395785781 /nfs/dbraw/zinc/78/57/81/395785781.db2.gz HPDHGNGTJYGIPK-UHFFFAOYSA-N 0 3 272.352 2.044 20 30 CEEDHN C=CCN1CCC(Nc2cc(OCC)nc(C)n2)CC1 ZINC000647867621 395765901 /nfs/dbraw/zinc/76/59/01/395765901.db2.gz OZYHQIHNHHMUHL-UHFFFAOYSA-N 0 3 276.384 2.246 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000649132391 396071863 /nfs/dbraw/zinc/07/18/63/396071863.db2.gz XSYKEJHCYWXCGS-UHFFFAOYSA-N 0 3 292.423 2.078 20 30 CEEDHN C=C(C)[C@H](CO)N1CCCN(Cc2ccccc2)CC1 ZINC000649234463 396098295 /nfs/dbraw/zinc/09/82/95/396098295.db2.gz GMRWCSDUALXOGX-KRWDZBQOSA-N 0 3 274.408 2.131 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(OC2CCCC2)CC1 ZINC000649273592 396110638 /nfs/dbraw/zinc/11/06/38/396110638.db2.gz AUFKXCBYAZRQCX-HNNXBMFYSA-N 0 3 253.386 2.347 20 30 CEEDHN CC#CCN1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000649778903 396257015 /nfs/dbraw/zinc/25/70/15/396257015.db2.gz FKVNIMHIKMXFPZ-TZMCWYRMSA-N 0 3 273.380 2.471 20 30 CEEDHN C=CCC1(C(=O)Nc2cccc(CN)c2)CCOCC1 ZINC000646578754 396359930 /nfs/dbraw/zinc/35/99/30/396359930.db2.gz CWSOMICHQQKJMP-UHFFFAOYSA-N 0 3 274.364 2.457 20 30 CEEDHN C=CCC[C@H](O)CN1CCc2cccc(OC)c2C1 ZINC000650108786 400804306 /nfs/dbraw/zinc/80/43/06/400804306.db2.gz WRBCKZHMPJTPQS-AWEZNQCLSA-N 0 3 261.365 2.380 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)CCCC1 ZINC000650511737 400932242 /nfs/dbraw/zinc/93/22/42/400932242.db2.gz JEMIWIJOICVBEF-KBPBESRZSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCN1CCC(NC(=O)NC2CC3(CCC3)C2)CC1 ZINC000650852807 401192389 /nfs/dbraw/zinc/19/23/89/401192389.db2.gz RSIHXYJLBNUDHO-UHFFFAOYSA-N 0 3 277.412 2.269 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N(C)CCN1CCCCC1 ZINC000651077293 401260371 /nfs/dbraw/zinc/26/03/71/401260371.db2.gz IDFSIBGAKNBRHD-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN C[C@H](C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)c1cccc(C#N)c1 ZINC000360338994 155275292 /nfs/dbraw/zinc/27/52/92/155275292.db2.gz ZELBUFHJEIYREB-IGCXYCKISA-N 0 3 297.402 2.261 20 30 CEEDHN C[C@@H](C(=O)N(C)[C@H]1CCN(C2CC2)C1)c1cccc(C#N)c1 ZINC000360377862 155286630 /nfs/dbraw/zinc/28/66/30/155286630.db2.gz JZJVZSPIQWCRQI-DYVFJYSZSA-N 0 3 297.402 2.357 20 30 CEEDHN CO[C@@H]1CN(CCOc2ccccc2C#N)CC[C@@H]1C ZINC000221136326 153307909 /nfs/dbraw/zinc/30/79/09/153307909.db2.gz QPTNPDDJGMWTIC-XJKSGUPXSA-N 0 3 274.364 2.294 20 30 CEEDHN CC[C@H](C)[C@](C)(O)CNCc1cnc2ccc(C#N)cn12 ZINC000304257432 154201480 /nfs/dbraw/zinc/20/14/80/154201480.db2.gz SGSUODKANMBFHZ-BLLLJJGKSA-N 0 3 286.379 2.093 20 30 CEEDHN Cn1cc(C[C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)cn1 ZINC000363590638 156033905 /nfs/dbraw/zinc/03/39/05/156033905.db2.gz WDPIZKSJACDWKQ-AWEZNQCLSA-N 0 3 298.365 2.495 20 30 CEEDHN CSCC[C@H](CO)N[C@@H](C)c1ccc(C#N)cc1 ZINC000344299597 286672006 /nfs/dbraw/zinc/67/20/06/286672006.db2.gz OWDBLDZPIHFDKQ-SMDDNHRTSA-N 0 3 264.394 2.323 20 30 CEEDHN CCOCCCN(CCOC)Cc1ccc(C#N)cc1 ZINC000159774480 162313879 /nfs/dbraw/zinc/31/38/79/162313879.db2.gz XUKSLAZKVPEKCC-UHFFFAOYSA-N 0 3 276.380 2.433 20 30 CEEDHN COC(=O)C[C@@H]1CCCN1Cc1cccc(C#N)c1 ZINC000179135247 165269843 /nfs/dbraw/zinc/26/98/43/165269843.db2.gz ITMMRMMAQTZRII-AWEZNQCLSA-N 0 3 258.321 2.086 20 30 CEEDHN N#Cc1ccccc1OCCN[C@H](CO)c1ccccc1 ZINC000182931189 165380535 /nfs/dbraw/zinc/38/05/35/165380535.db2.gz GFPVEFTWHFDLMP-MRXNPFEDSA-N 0 3 282.343 2.260 20 30 CEEDHN COC(=O)[C@]12CN(Cc3ccc(C#N)o3)C[C@H]1CCCC2 ZINC000284882343 196149445 /nfs/dbraw/zinc/14/94/45/196149445.db2.gz FCSKEBNQUVOUMZ-MLGOLLRUSA-N 0 3 288.347 2.316 20 30 CEEDHN C=CCOc1ccccc1CNC1CCC(C(N)=O)CC1 ZINC000035255381 172085212 /nfs/dbraw/zinc/08/52/12/172085212.db2.gz QADODTXIHJLANQ-UHFFFAOYSA-N 0 3 288.391 2.385 20 30 CEEDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NCc1ccc(C#N)s1 ZINC000285611680 196343385 /nfs/dbraw/zinc/34/33/85/196343385.db2.gz XLRIXRPPWMHFRE-TZMCWYRMSA-N 0 3 291.420 2.403 20 30 CEEDHN CC(C)[C@@H](CNc1ccc(C#N)cc1)N1CCN(C)CC1 ZINC000040433492 174261055 /nfs/dbraw/zinc/26/10/55/174261055.db2.gz OHOLVSNPFPYZON-QGZVFWFLSA-N 0 3 286.423 2.242 20 30 CEEDHN C=CCOCCCNC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000660340704 414778826 /nfs/dbraw/zinc/77/88/26/414778826.db2.gz RJEGBNVQNIEOAF-CABCVRRESA-N 0 3 297.443 2.141 20 30 CEEDHN C=CCCn1cc(CNCCC[C@H]2CCCC[C@@H]2O)nn1 ZINC000657402717 414915960 /nfs/dbraw/zinc/91/59/60/414915960.db2.gz JGVSLYXEPGTPGB-ZBFHGGJFSA-N 0 3 292.427 2.275 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(O[C@@H](C)COC)cc1 ZINC000657436481 414936835 /nfs/dbraw/zinc/93/68/35/414936835.db2.gz VJFMRXUUSIWZOO-DZGCQCFKSA-N 0 3 279.380 2.127 20 30 CEEDHN C=CCCn1cc(CNCCN2[C@H](C)CCC[C@@H]2C)nn1 ZINC000657353855 414878398 /nfs/dbraw/zinc/87/83/98/414878398.db2.gz ODTSDHOUVALWFE-GASCZTMLSA-N 0 3 291.443 2.207 20 30 CEEDHN C=CCCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000660572810 414882226 /nfs/dbraw/zinc/88/22/26/414882226.db2.gz VGDDNPPTBQYPJP-OAHLLOKOSA-N 0 3 275.396 2.473 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1CCN(c2ccncc2)CC1 ZINC000653091384 414903221 /nfs/dbraw/zinc/90/32/21/414903221.db2.gz YTYUPEFKKMZGDD-UHFFFAOYSA-N 0 3 288.395 2.125 20 30 CEEDHN C=C(C)CCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654580167 414977675 /nfs/dbraw/zinc/97/76/75/414977675.db2.gz OEWXIYWLWNJNLG-KBPBESRZSA-N 0 3 265.401 2.269 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000660842531 415001553 /nfs/dbraw/zinc/00/15/53/415001553.db2.gz WVDMMAPTTMKIMY-AEGPPILISA-N 0 3 275.396 2.116 20 30 CEEDHN C=CCCNCc1ccccc1OCC(=O)N1CCCC1 ZINC000657581932 415011417 /nfs/dbraw/zinc/01/14/17/415011417.db2.gz ABZOWMHDHCBSAY-UHFFFAOYSA-N 0 3 288.391 2.354 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cn(C2CCC2)nn1 ZINC000657454796 414946639 /nfs/dbraw/zinc/94/66/39/414946639.db2.gz MLIWVNPLVJQXMB-IUODEOHRSA-N 0 3 276.384 2.074 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(COC)cs1 ZINC000657482362 414963868 /nfs/dbraw/zinc/96/38/68/414963868.db2.gz VNTPQLOTCDYOSW-OLZOCXBDSA-N 0 3 253.367 2.328 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N[C@@H]1CCN(CCC)C1 ZINC000661236114 415149791 /nfs/dbraw/zinc/14/97/91/415149791.db2.gz XNKPPWKYZPBGPP-CYBMUJFWSA-N 0 3 267.417 2.372 20 30 CEEDHN C=C(C)CCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661265812 415169876 /nfs/dbraw/zinc/16/98/76/415169876.db2.gz OXLCVYZZWUFRNQ-GFCCVEGCSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(C(N)=O)cs1 ZINC000658235649 415267139 /nfs/dbraw/zinc/26/71/39/415267139.db2.gz QDMCMOPVOIMFRT-MNOVXSKESA-N 0 3 279.409 2.467 20 30 CEEDHN C=CCC[C@H](NC[C@@]1(OCCO)CCOC1)c1ccco1 ZINC000658145221 415231016 /nfs/dbraw/zinc/23/10/16/415231016.db2.gz QHQNFRSFXHCERX-HOCLYGCPSA-N 0 3 295.379 2.045 20 30 CEEDHN C=CCN(C(=O)N[C@H](CC)CN1CCCC1)[C@@H](C)COC ZINC000664410152 415328798 /nfs/dbraw/zinc/32/87/98/415328798.db2.gz STFBVWFUECGNLV-LSDHHAIUSA-N 0 3 297.443 2.093 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCCn2ccnc21 ZINC000655764881 415445622 /nfs/dbraw/zinc/44/56/22/415445622.db2.gz UBUNQKOKKDQPME-RDBSUJKOSA-N 0 3 261.369 2.289 20 30 CEEDHN C=CCN(Cc1cc(=O)n2ccccc2n1)C(C)(C)C ZINC000661756919 415446515 /nfs/dbraw/zinc/44/65/15/415446515.db2.gz XMFJAUJYJUIVFY-UHFFFAOYSA-N 0 3 271.364 2.481 20 30 CEEDHN C=CCCCCCN(C)C(=O)N[C@H](CN)C(F)(F)F ZINC000655917813 415545947 /nfs/dbraw/zinc/54/59/47/415545947.db2.gz BKAWRNQESILVTN-SNVBAGLBSA-N 0 3 281.322 2.264 20 30 CEEDHN C=C(C)CN(CC)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665367962 415715859 /nfs/dbraw/zinc/71/58/59/415715859.db2.gz JBSZKAOXYWIKTQ-ZDUSSCGKSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000656689358 415812092 /nfs/dbraw/zinc/81/20/92/415812092.db2.gz QCKSWXBQPCEZOO-BFHYXJOUSA-N 0 3 294.439 2.393 20 30 CEEDHN N#CCCCN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000076394712 177014264 /nfs/dbraw/zinc/01/42/64/177014264.db2.gz ARAMZMMNHUWYTN-CYBMUJFWSA-N 0 3 269.352 2.212 20 30 CEEDHN C=C(C)CN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000076397356 177015175 /nfs/dbraw/zinc/01/51/75/177015175.db2.gz NBRDIXPQGHVJEI-ZDUSSCGKSA-N 0 3 256.353 2.485 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)CCCN1CCC#N ZINC000077372056 177259944 /nfs/dbraw/zinc/25/99/44/177259944.db2.gz KREQIOYUTOINBZ-HNNXBMFYSA-N 0 3 257.381 2.496 20 30 CEEDHN CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2)C1 ZINC000077457296 177270876 /nfs/dbraw/zinc/27/08/76/177270876.db2.gz NOZIAYXVXRFHND-CABCVRRESA-N 0 3 292.404 2.004 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccn1C)C(C)C ZINC000078397504 177337181 /nfs/dbraw/zinc/33/71/81/177337181.db2.gz ABEILMFKKVGFPG-INIZCTEOSA-N 0 3 289.423 2.454 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)NCC1CC1)C(C)C ZINC000079094128 177432378 /nfs/dbraw/zinc/43/23/78/177432378.db2.gz BWWWTXQAHUYAOP-OAHLLOKOSA-N 0 3 279.428 2.394 20 30 CEEDHN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)C(C)C#N ZINC000344784336 225167621 /nfs/dbraw/zinc/16/76/21/225167621.db2.gz YSSNLWJZVCANAT-WCQYABFASA-N 0 3 272.348 2.391 20 30 CEEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC000347088044 226045330 /nfs/dbraw/zinc/04/53/30/226045330.db2.gz PKTRPFXZFGXIFG-UONOGXRCSA-N 0 3 285.391 2.488 20 30 CEEDHN N#CC(C(=O)c1cccc(-n2cccn2)c1)c1ccncn1 ZINC000354464659 227001215 /nfs/dbraw/zinc/00/12/15/227001215.db2.gz JZXYQNGLUDVOTD-AWEZNQCLSA-N 0 3 289.298 2.152 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000336526897 227093822 /nfs/dbraw/zinc/09/38/22/227093822.db2.gz YASODTUXKAUDRZ-VXGBXAGGSA-N 0 3 275.327 2.070 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC000352685094 227159532 /nfs/dbraw/zinc/15/95/32/227159532.db2.gz RLGAZRHBGXWCIB-JTQLQIEISA-N 0 3 261.325 2.035 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC(CN3CCCCC3=O)CC2)C1 ZINC000336602011 227170153 /nfs/dbraw/zinc/17/01/53/227170153.db2.gz UPKVGHNGYPLIQJ-CVEARBPZSA-N 0 3 289.423 2.403 20 30 CEEDHN O=C(Cc1ccc2c[nH]nc2c1)N[C@@H]1CCN(C2CC2)C1 ZINC000330045802 228025640 /nfs/dbraw/zinc/02/56/40/228025640.db2.gz GMUVPARYUQBVIS-CYBMUJFWSA-N 0 3 284.363 2.299 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](O)CC1 ZINC000332031671 228144325 /nfs/dbraw/zinc/14/43/25/228144325.db2.gz SDHPWGFZBTXFIL-HOTGVXAUSA-N 0 3 286.375 2.132 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](O)CC1 ZINC000332031670 228144567 /nfs/dbraw/zinc/14/45/67/228144567.db2.gz SDHPWGFZBTXFIL-CVEARBPZSA-N 0 3 286.375 2.132 20 30 CEEDHN N#CC(C(=O)Nc1cccc(Cl)c1)c1ccncn1 ZINC000352321738 228219853 /nfs/dbraw/zinc/21/98/53/228219853.db2.gz AOPLRGHRQMHBDO-LLVKDONJSA-N 0 3 272.695 2.376 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1Cl)c1ccncn1 ZINC000352321851 228219978 /nfs/dbraw/zinc/21/99/78/228219978.db2.gz CPYJRWSNZAYPEG-VIFPVBQESA-N 0 3 272.695 2.376 20 30 CEEDHN C=CCCNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000665947451 419487194 /nfs/dbraw/zinc/48/71/94/419487194.db2.gz MZMWKSCMQVBYDF-UHFFFAOYSA-N 0 3 275.396 2.336 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C)CCCC=C)CC1 ZINC000179793650 260069846 /nfs/dbraw/zinc/06/98/46/260069846.db2.gz KXKVDQSFLYEXOT-CQSZACIVSA-N 0 3 262.397 2.193 20 30 CEEDHN C=CCCCN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000117872565 260117624 /nfs/dbraw/zinc/11/76/24/260117624.db2.gz UOXCHMMXJQZKQJ-CQSZACIVSA-N 0 3 262.353 2.326 20 30 CEEDHN C[C@@H](C(=O)N1CCC(C)(C#N)CC1)N1[C@H](C)CC[C@@H]1C ZINC000356970321 260120869 /nfs/dbraw/zinc/12/08/69/260120869.db2.gz IDXFJSXCGJGYFW-MJBXVCDLSA-N 0 3 277.412 2.400 20 30 CEEDHN C#Cc1ccc(CNC(=O)N(CCN(C)C)C(C)C)cc1 ZINC000297540182 260128074 /nfs/dbraw/zinc/12/80/74/260128074.db2.gz IVCQWDFWGKIMQF-UHFFFAOYSA-N 0 3 287.407 2.150 20 30 CEEDHN C#Cc1ccc(CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000297757836 260133752 /nfs/dbraw/zinc/13/37/52/260133752.db2.gz VNNWWWKXWFVTFV-RHSMWYFYSA-N 0 3 299.418 2.292 20 30 CEEDHN C#CCN(CC)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000299285836 260180421 /nfs/dbraw/zinc/18/04/21/260180421.db2.gz FRISZUMYOSVRTP-UHFFFAOYSA-N 0 3 284.403 2.380 20 30 CEEDHN C=CCN(CC=C)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000249767647 261257738 /nfs/dbraw/zinc/25/77/38/261257738.db2.gz JISAJWGPJGEFPZ-CABCVRRESA-N 0 3 279.428 2.490 20 30 CEEDHN C[C@@H]1CC[C@H](C(N)=O)CN1CC#Cc1ccc(Cl)cc1 ZINC000177118680 261332843 /nfs/dbraw/zinc/33/28/43/261332843.db2.gz SATJPIULOZOLEZ-OCCSQVGLSA-N 0 3 290.794 2.277 20 30 CEEDHN COc1cccc([C@H](O)CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185713604 262067684 /nfs/dbraw/zinc/06/76/84/262067684.db2.gz LOIXFVBEQRZZIT-JGGQBBKZSA-N 0 3 274.364 2.401 20 30 CEEDHN CNC(=O)c1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185712796 262068108 /nfs/dbraw/zinc/06/81/08/262068108.db2.gz DRIDGTLYJAWNHH-DOMZBBRYSA-N 0 3 271.364 2.218 20 30 CEEDHN CN(C)C1(CN(C)C(=O)c2cccc(CC#N)c2)CCC1 ZINC000187022118 262121799 /nfs/dbraw/zinc/12/17/99/262121799.db2.gz LRMYFSIHGVABIY-UHFFFAOYSA-N 0 3 285.391 2.309 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CCCN(C2CCOCC2)CC1 ZINC000364073041 262140354 /nfs/dbraw/zinc/14/03/54/262140354.db2.gz DUWLUHXYNSEYOQ-HNNXBMFYSA-N 0 3 294.439 2.302 20 30 CEEDHN CC#CCCCC(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000364168455 262178644 /nfs/dbraw/zinc/17/86/44/262178644.db2.gz DVJFQJPOPRYPQV-DLBZAZTESA-N 0 3 284.403 2.394 20 30 CEEDHN C[C@H]1C[C@@H]1CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000488303542 262306434 /nfs/dbraw/zinc/30/64/34/262306434.db2.gz ZAIKQNFWSYKVHW-QWHCGFSZSA-N 0 3 273.355 2.475 20 30 CEEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC23CCC3)cc1 ZINC000336839594 262399521 /nfs/dbraw/zinc/39/95/21/262399521.db2.gz KGQCVMSXIJPFEX-HNNXBMFYSA-N 0 3 286.375 2.121 20 30 CEEDHN COc1cc([C@H](C)NCCCC#N)ccc1S(C)(=O)=O ZINC000273301750 263015008 /nfs/dbraw/zinc/01/50/08/263015008.db2.gz UWYBGMWQJPHMOE-NSHDSACASA-N 0 3 296.392 2.053 20 30 CEEDHN CN(CCN(C)C1CC1)Cc1ccc(OCC#N)cc1 ZINC000274518490 263025192 /nfs/dbraw/zinc/02/51/92/263025192.db2.gz XKJRCISLWFMBTH-UHFFFAOYSA-N 0 3 273.380 2.115 20 30 CEEDHN CNC(=O)c1ccc(CN(C)[C@@H](C)CCC#N)cc1 ZINC000276319196 263036121 /nfs/dbraw/zinc/03/61/21/263036121.db2.gz OFIVXHFSSWBDQA-LBPRGKRZSA-N 0 3 259.353 2.170 20 30 CEEDHN CC1(C)C[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279412018 263055322 /nfs/dbraw/zinc/05/53/22/263055322.db2.gz CAQQFFLGFFKSBE-KGLIPLIRSA-N 0 3 267.332 2.155 20 30 CEEDHN C=CCCN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280192796 263059659 /nfs/dbraw/zinc/05/96/59/263059659.db2.gz YWUONEHZQGITRO-HNNXBMFYSA-N 0 3 267.332 2.275 20 30 CEEDHN CS[C@@H](C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280277821 263059941 /nfs/dbraw/zinc/05/99/41/263059941.db2.gz YQIYUMLGKKKDSP-FZMZJTMJSA-N 0 3 287.388 2.108 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCSCC2)cc1 ZINC000280596491 263063206 /nfs/dbraw/zinc/06/32/06/263063206.db2.gz FLFAZURVWNFEEK-OAHLLOKOSA-N 0 3 299.399 2.206 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000285094342 263089983 /nfs/dbraw/zinc/08/99/83/263089983.db2.gz SVUICFCJCGULKM-GOEBONIOSA-N 0 3 273.380 2.345 20 30 CEEDHN N#CCCCCN1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340211341 263094605 /nfs/dbraw/zinc/09/46/05/263094605.db2.gz VQRPIYPODAQNBE-MNOVXSKESA-N 0 3 264.291 2.458 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(OC)c(OCCCC#N)c1 ZINC000289796895 263112001 /nfs/dbraw/zinc/11/20/01/263112001.db2.gz KPPFLQDJDGQDHQ-CQSZACIVSA-N 0 3 290.363 2.014 20 30 CEEDHN CC[C@H](CC#N)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290561851 263117540 /nfs/dbraw/zinc/11/75/40/263117540.db2.gz SKNBECVVFCXVQN-MGPQQGTHSA-N 0 3 286.331 2.099 20 30 CEEDHN CN(C)Cc1cccc(CNC(=O)CCCC#N)c1 ZINC000292772589 263134926 /nfs/dbraw/zinc/13/49/26/263134926.db2.gz WXUOMWFSUQWPBL-UHFFFAOYSA-N 0 3 259.353 2.058 20 30 CEEDHN C#CCNC(=O)CCN(C)[C@@H](C)c1cccc(Cl)c1 ZINC000293632311 263145600 /nfs/dbraw/zinc/14/56/00/263145600.db2.gz WWSVRQJWOMYNCJ-LBPRGKRZSA-N 0 3 278.783 2.472 20 30 CEEDHN C[C@@H](C#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000340436729 263147238 /nfs/dbraw/zinc/14/72/38/263147238.db2.gz PCJKSYRIFQBPJX-ZDUSSCGKSA-N 0 3 271.364 2.314 20 30 CEEDHN C[C@H](NCCOCCC#N)[C@H]1OCCc2sccc21 ZINC000293719426 263147665 /nfs/dbraw/zinc/14/76/65/263147665.db2.gz YJYYTZDXWNQWNA-SMDDNHRTSA-N 0 3 280.393 2.270 20 30 CEEDHN C=CCN(CCC#N)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000293954711 263153096 /nfs/dbraw/zinc/15/30/96/263153096.db2.gz VTGNRJGMKWFQIV-OAHLLOKOSA-N 0 3 281.375 2.127 20 30 CEEDHN CCC[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)OC ZINC000295434483 263177392 /nfs/dbraw/zinc/17/73/92/263177392.db2.gz NTHBMWKZVVYMGE-HZPDHXFCSA-N 0 3 299.374 2.172 20 30 CEEDHN CN(CCC#N)c1ccc(CN2CC(C(C)(C)O)C2)cc1 ZINC000297428714 263204781 /nfs/dbraw/zinc/20/47/81/263204781.db2.gz OGOAZRQFFBZRKC-UHFFFAOYSA-N 0 3 287.407 2.239 20 30 CEEDHN N#CC1(NC(=O)c2cccc(CN3CCCC3)c2)CCC1 ZINC000299496526 263244009 /nfs/dbraw/zinc/24/40/09/263244009.db2.gz IPTNYDMYKSUZFB-UHFFFAOYSA-N 0 3 283.375 2.458 20 30 CEEDHN N#CC1(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)CCC1 ZINC000299532584 263245651 /nfs/dbraw/zinc/24/56/51/263245651.db2.gz UGENRAGYVLRBQJ-INIZCTEOSA-N 0 3 297.402 2.461 20 30 CEEDHN C=CCc1cc(CN[C@@]2(C)CCOC2)cc(OC)c1O ZINC000120194157 263285020 /nfs/dbraw/zinc/28/50/20/263285020.db2.gz MCSFTAILDUFDBJ-INIZCTEOSA-N 0 3 277.364 2.398 20 30 CEEDHN C=CC[C@H](CO)CNCc1c(C)nn(CCC)c1C ZINC000341326547 263331018 /nfs/dbraw/zinc/33/10/18/263331018.db2.gz XIWHISBQBMMUJD-AWEZNQCLSA-N 0 3 265.401 2.184 20 30 CEEDHN C=CCC[C@H](O)CN[C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000341446588 263335874 /nfs/dbraw/zinc/33/58/74/263335874.db2.gz ANXGNVMYXTZQJG-HOTGVXAUSA-N 0 3 290.407 2.123 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000341459917 263336655 /nfs/dbraw/zinc/33/66/55/263336655.db2.gz HXJYNMLKZNIQKP-HUUCEWRRSA-N 0 3 297.443 2.093 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CC[C@@H](N2CCCC2)C1)OCC ZINC000366737980 263342674 /nfs/dbraw/zinc/34/26/74/263342674.db2.gz GTLGFWFODIEDHD-CABCVRRESA-N 0 3 280.412 2.054 20 30 CEEDHN COCC1(C#N)CCN(C[C@H](O)C2CCCCC2)CC1 ZINC000341989562 263381113 /nfs/dbraw/zinc/38/11/13/263381113.db2.gz LXEXSJIMHCJRKZ-HNNXBMFYSA-N 0 3 280.412 2.180 20 30 CEEDHN C[C@@H](c1ccccc1)N(CCCCC#N)CC(N)=O ZINC000342081484 263385786 /nfs/dbraw/zinc/38/57/86/263385786.db2.gz XPCTZHDQWHOONC-ZDUSSCGKSA-N 0 3 259.353 2.229 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1c(C)nn(C)c1C ZINC000330676762 264014491 /nfs/dbraw/zinc/01/44/91/264014491.db2.gz UQCJIXXHDAODAN-ZDUSSCGKSA-N 0 3 278.400 2.216 20 30 CEEDHN CO[C@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)C(C)(C)C ZINC000330763728 264032146 /nfs/dbraw/zinc/03/21/46/264032146.db2.gz IQNJZTJDVZBRIB-GXTWGEPZSA-N 0 3 297.443 2.202 20 30 CEEDHN C[C@@H]1COC[C@@H](C)N1C(=O)C(C#N)CCc1ccccc1 ZINC000331212810 264163354 /nfs/dbraw/zinc/16/33/54/264163354.db2.gz KOOBGDMGTYAORV-FMKPAKJESA-N 0 3 286.375 2.395 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)c2ccc[nH]c2=O)C1 ZINC000331308915 264186237 /nfs/dbraw/zinc/18/62/37/264186237.db2.gz XQVHIMWGINDGMG-UHFFFAOYSA-N 0 3 277.368 2.214 20 30 CEEDHN N#C[C@@H]1CCC[C@H]1NCCCO[C@@H]1CCCCO1 ZINC000331340186 264194444 /nfs/dbraw/zinc/19/44/44/264194444.db2.gz JZSBCZFNIGOGER-BFHYXJOUSA-N 0 3 252.358 2.202 20 30 CEEDHN CO[C@H](CN1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000425383741 264219798 /nfs/dbraw/zinc/21/97/98/264219798.db2.gz LLMMQKUJEZTQAY-GOSISDBHSA-N 0 3 299.418 2.101 20 30 CEEDHN C#Cc1cccc(NC(=O)CN(C)CCN2CCCCC2)c1 ZINC000077173140 264349832 /nfs/dbraw/zinc/34/98/32/264349832.db2.gz MKVAQVQVHKMPLK-UHFFFAOYSA-N 0 3 299.418 2.024 20 30 CEEDHN C[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)N1CCC(C)CC1 ZINC000425486475 264353631 /nfs/dbraw/zinc/35/36/31/264353631.db2.gz XRQAFLBPNUDJFK-SOUVJXGZSA-N 0 3 292.427 2.098 20 30 CEEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000090182318 264392324 /nfs/dbraw/zinc/39/23/24/264392324.db2.gz FRZXTZSYSAUDAS-HIFRSBDPSA-N 0 3 298.386 2.113 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCc1ccc(Cl)cc1 ZINC000294082938 265007326 /nfs/dbraw/zinc/00/73/26/265007326.db2.gz WXRRZJKQLFSNGR-UHFFFAOYSA-N 0 3 292.810 2.344 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000335587176 265159854 /nfs/dbraw/zinc/15/98/54/265159854.db2.gz ZDQDJLLOHSNANA-YOEHRIQHSA-N 0 3 289.423 2.402 20 30 CEEDHN C=CCCCC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000356287490 266088160 /nfs/dbraw/zinc/08/81/60/266088160.db2.gz YRXFBVDIMVDBDF-HNNXBMFYSA-N 0 3 250.386 2.287 20 30 CEEDHN C=CCOCC(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000356646373 266152902 /nfs/dbraw/zinc/15/29/02/266152902.db2.gz MKMPWLYKTQUOTN-OAHLLOKOSA-N 0 3 286.375 2.200 20 30 CEEDHN CC(C#N)C(=O)N1CCN(c2cncc3ccccc32)CC1 ZINC000356979132 266224371 /nfs/dbraw/zinc/22/43/71/266224371.db2.gz LCTPVBRMXQCXBK-CYBMUJFWSA-N 0 3 294.358 2.043 20 30 CEEDHN C#CCN[C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000367252133 266240858 /nfs/dbraw/zinc/24/08/58/266240858.db2.gz LHOGPFLFCZKCNW-DLBZAZTESA-N 0 3 270.376 2.196 20 30 CEEDHN C=CCOc1ccccc1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000357412154 266292053 /nfs/dbraw/zinc/29/20/53/266292053.db2.gz KOJGTXDBUGYKKN-KGLIPLIRSA-N 0 3 288.391 2.464 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)CC(C)(C)C#N ZINC000357489925 266307678 /nfs/dbraw/zinc/30/76/78/266307678.db2.gz CFNMIINZUJPWBH-GFCCVEGCSA-N 0 3 265.401 2.163 20 30 CEEDHN C=C(CC)CN(C)C[C@@H](O)COCc1ccccc1 ZINC000358509112 266472242 /nfs/dbraw/zinc/47/22/42/266472242.db2.gz NFIKNQLYJYLLQY-MRXNPFEDSA-N 0 3 263.381 2.462 20 30 CEEDHN CC#CCCCC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000362277739 266954484 /nfs/dbraw/zinc/95/44/84/266954484.db2.gz HKEAIKVGBULHFS-QGZVFWFLSA-N 0 3 286.419 2.469 20 30 CEEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H]1COCCO1 ZINC000450261289 267016481 /nfs/dbraw/zinc/01/64/81/267016481.db2.gz NGIPQNAGGSJADE-INIZCTEOSA-N 0 3 274.364 2.186 20 30 CEEDHN CCN(CCCO)Cc1ccc(C#N)cc1OC(F)F ZINC000437908343 267064073 /nfs/dbraw/zinc/06/40/73/267064073.db2.gz IUIWSNMINMQQFQ-UHFFFAOYSA-N 0 3 284.306 2.364 20 30 CEEDHN N#CC1(c2ccccc2)CC(N[C@H]2CC[C@@H](O)C2)C1 ZINC000367696733 267109663 /nfs/dbraw/zinc/10/96/63/267109663.db2.gz JFGDJADTHBFKTF-JWMHWRSXSA-N 0 3 256.349 2.113 20 30 CEEDHN CCOC(=O)C[C@H](C)N(C)Cc1ccc(C#N)c(OC)c1 ZINC000442856068 267119816 /nfs/dbraw/zinc/11/98/16/267119816.db2.gz QYCOEHMFHUXILO-LBPRGKRZSA-N 0 3 290.363 2.340 20 30 CEEDHN C#CCCN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000367975877 267131689 /nfs/dbraw/zinc/13/16/89/267131689.db2.gz FCRPAWORRXIZQZ-KBPBESRZSA-N 0 3 278.396 2.199 20 30 CEEDHN CC#CCN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000367976566 267131815 /nfs/dbraw/zinc/13/18/15/267131815.db2.gz LLUPNNJICGRWBV-UONOGXRCSA-N 0 3 278.396 2.199 20 30 CEEDHN C#Cc1ccc(CN2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cc1 ZINC000368015213 267135076 /nfs/dbraw/zinc/13/50/76/267135076.db2.gz CCEPLIFFBNNSFO-ULQDDVLXSA-N 0 3 282.387 2.286 20 30 CEEDHN C=CC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000368238910 267152987 /nfs/dbraw/zinc/15/29/87/267152987.db2.gz CVNOGSYUNRXKDZ-FZMZJTMJSA-N 0 3 256.365 2.280 20 30 CEEDHN CCO[C@H]1COCC[C@H]1NCc1ccc(C#N)c(C)c1 ZINC000488084883 267156431 /nfs/dbraw/zinc/15/64/31/267156431.db2.gz HHDFKXYUXKAYHL-CVEARBPZSA-N 0 3 274.364 2.150 20 30 CEEDHN CC[C@@H](O)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000422116971 267197393 /nfs/dbraw/zinc/19/73/93/267197393.db2.gz FMGLHBNVVDEDOI-LLVKDONJSA-N 0 3 272.270 2.438 20 30 CEEDHN N#CCCCCN1CCC(NC(=O)C2CCC2)CC1 ZINC000368923282 267212806 /nfs/dbraw/zinc/21/28/06/267212806.db2.gz VOMDJOLYJIWBIY-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN CC[C@H](NC[C@H](O)[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000527959554 267221492 /nfs/dbraw/zinc/22/14/92/267221492.db2.gz XPSKXGFUPCZTER-JYJNAYRXSA-N 0 3 274.364 2.139 20 30 CEEDHN C#CCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000369295693 267233953 /nfs/dbraw/zinc/23/39/53/267233953.db2.gz WWPDBCXSRQXABQ-OAHLLOKOSA-N 0 3 288.366 2.177 20 30 CEEDHN CCc1cc(N2CCN(c3ncccc3C#N)CC2)ccn1 ZINC000450235410 267245851 /nfs/dbraw/zinc/24/58/51/267245851.db2.gz VSAPGBBORZFWEC-UHFFFAOYSA-N 0 3 293.374 2.237 20 30 CEEDHN C#CC[C@@H](C)NC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000369817828 267268713 /nfs/dbraw/zinc/26/87/13/267268713.db2.gz DMEQSXWJNHRCTP-HUUCEWRRSA-N 0 3 277.412 2.058 20 30 CEEDHN CN(C)[C@@H](CNc1cncc(C#N)n1)c1cccc(F)c1 ZINC000420589032 267285678 /nfs/dbraw/zinc/28/56/78/267285678.db2.gz RFQDPNORMLOJQM-AWEZNQCLSA-N 0 3 285.326 2.202 20 30 CEEDHN C=CCCCC(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C 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CNC(=O)NC1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000412057206 328101801 /nfs/dbraw/zinc/10/18/01/328101801.db2.gz WQMCVNJOEGHVNO-UHFFFAOYSA-N 0 3 292.427 2.244 20 30 CEEDHN CN(C(=O)[C@H]1CCN(CCCC#N)C1)c1ccccc1 ZINC000281123176 328238855 /nfs/dbraw/zinc/23/88/55/328238855.db2.gz NVVWWCPUQDTOBH-AWEZNQCLSA-N 0 3 271.364 2.275 20 30 CEEDHN C[C@@H](NC(=O)NCCCC#N)[C@H](c1ccccc1)N(C)C ZINC000288296724 328252829 /nfs/dbraw/zinc/25/28/29/328252829.db2.gz TVMLVQJKCVEOMV-UKRRQHHQSA-N 0 3 288.395 2.281 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC000185330860 329270599 /nfs/dbraw/zinc/27/05/99/329270599.db2.gz QOQWCWFULFETBJ-KBPBESRZSA-N 0 3 250.386 2.045 20 30 CEEDHN CC1(C)C[C@]1(C#N)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000292517005 328271125 /nfs/dbraw/zinc/27/11/25/328271125.db2.gz QGPPTXCAGSEGEU-GDZNZVCISA-N 0 3 298.342 2.099 20 30 CEEDHN N#CCCCC(=O)NCCCN1CCc2ccccc2C1 ZINC000292608016 328272851 /nfs/dbraw/zinc/27/28/51/328272851.db2.gz MTWKXAKQPWCNGZ-UHFFFAOYSA-N 0 3 285.391 2.245 20 30 CEEDHN CCc1ccc([C@H](C#N)NC(=O)[C@@H](CC)N(C)C)cc1 ZINC000298492022 328296741 /nfs/dbraw/zinc/29/67/41/328296741.db2.gz GCWBBGXCEKTFGJ-LSDHHAIUSA-N 0 3 273.380 2.270 20 30 CEEDHN CCc1ccc([C@H](CNc2ncncc2C#N)N(C)C)cc1 ZINC000581157720 322374027 /nfs/dbraw/zinc/37/40/27/322374027.db2.gz MUZGTSPTCCVVQW-INIZCTEOSA-N 0 3 295.390 2.047 20 30 CEEDHN CN1CCC(NC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000331034593 328474520 /nfs/dbraw/zinc/47/45/20/328474520.db2.gz YMVDKCSZBNFMFP-OAHLLOKOSA-N 0 3 285.391 2.284 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc(OCCC)c(OC)c1 ZINC000289679334 328526224 /nfs/dbraw/zinc/52/62/24/328526224.db2.gz CFMIHPFUKAPYRJ-ZDUSSCGKSA-N 0 3 265.353 2.121 20 30 CEEDHN CC#CCN1CCC(C(=O)Nc2nc(C)cs2)CC1 ZINC000363414332 327089678 /nfs/dbraw/zinc/08/96/78/327089678.db2.gz MFXPSPNABLQIAS-UHFFFAOYSA-N 0 3 277.393 2.125 20 30 CEEDHN N#CCCNC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000569351009 327156652 /nfs/dbraw/zinc/15/66/52/327156652.db2.gz IFLHBHUZEZTOJL-UHFFFAOYSA-N 0 3 270.336 2.147 20 30 CEEDHN C[C@@H](O)[C@H](C)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000578618743 327346599 /nfs/dbraw/zinc/34/65/99/327346599.db2.gz PIABSOSDJHLUHO-WDEREUQCSA-N 0 3 271.282 2.416 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000566681428 327439714 /nfs/dbraw/zinc/43/97/14/327439714.db2.gz TTZYCPHVWMMNFK-KBPBESRZSA-N 0 3 298.390 2.023 20 30 CEEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000172038160 329083654 /nfs/dbraw/zinc/08/36/54/329083654.db2.gz VMLQPKYJZOPTPT-MPESAESLSA-N 0 3 272.348 2.387 20 30 CEEDHN C[C@@H](CC#N)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC000172772413 329138420 /nfs/dbraw/zinc/13/84/20/329138420.db2.gz WRMRUQJWIFMQAB-LBPRGKRZSA-N 0 3 259.353 2.122 20 30 CEEDHN C#CCCCNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000176667956 329177853 /nfs/dbraw/zinc/17/78/53/329177853.db2.gz UXFDDKJEOXRHOZ-DOTOQJQBSA-N 0 3 299.418 2.362 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@H](n3cncn3)C2)cc1 ZINC000179467881 329205239 /nfs/dbraw/zinc/20/52/39/329205239.db2.gz YMUVTLBQHHVYTR-INIZCTEOSA-N 0 3 296.374 2.127 20 30 CEEDHN CC#CCCCC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000185153418 329266871 /nfs/dbraw/zinc/26/68/71/329266871.db2.gz UCPPWNQEMBFLMF-AWEZNQCLSA-N 0 3 252.402 2.273 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000392827521 329388081 /nfs/dbraw/zinc/38/80/81/329388081.db2.gz MVZXDJFTUQOITE-UHFFFAOYSA-N 0 3 297.402 2.470 20 30 CEEDHN C=C(C)CN(CC)CCCCCS(=O)(=O)CC ZINC000190329553 329394983 /nfs/dbraw/zinc/39/49/83/329394983.db2.gz NFQNOFSLTJTYAL-UHFFFAOYSA-N 0 3 261.431 2.489 20 30 CEEDHN C=CCN(C(=O)NC[C@@H]1NCCc2ccccc21)C1CC1 ZINC000418637378 329536899 /nfs/dbraw/zinc/53/68/99/329536899.db2.gz NMFPZPRZDILAFI-INIZCTEOSA-N 0 3 285.391 2.233 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCCCCC1 ZINC000125689519 329585934 /nfs/dbraw/zinc/58/59/34/329585934.db2.gz WKSLSLSJRYYHBM-CQSZACIVSA-N 0 3 250.386 2.452 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1[C@H](C)CCC[C@H]1C ZINC000246228090 329804868 /nfs/dbraw/zinc/80/48/68/329804868.db2.gz GGLXQIWBTZDXJM-MGPQQGTHSA-N 0 3 265.401 2.257 20 30 CEEDHN C#CCCN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000268750772 330066482 /nfs/dbraw/zinc/06/64/82/330066482.db2.gz WPPJJDLVVOONFZ-UHFFFAOYSA-N 0 3 274.339 2.500 20 30 CEEDHN CC[C@@H](CNC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424064473 330219108 /nfs/dbraw/zinc/21/91/08/330219108.db2.gz KJBMFQBHFOSKFL-DZGCQCFKSA-N 0 3 273.380 2.318 20 30 CEEDHN CN(C(=O)[C@@H](N)CCCC#N)[C@@H]1CCc2ccccc21 ZINC000424070737 330219994 /nfs/dbraw/zinc/21/99/94/330219994.db2.gz STFASWWKVXSLHV-LSDHHAIUSA-N 0 3 271.364 2.153 20 30 CEEDHN COc1ccc([C@H](C)N(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424077270 330221117 /nfs/dbraw/zinc/22/11/17/330221117.db2.gz BCPWRFFXSJXLFO-WFASDCNBSA-N 0 3 289.379 2.236 20 30 CEEDHN CN(CC1CCCCC1)C(=O)[C@H](N)CCCC#N ZINC000424080899 330222066 /nfs/dbraw/zinc/22/20/66/330222066.db2.gz JDUXHXJGHGBEGL-CYBMUJFWSA-N 0 3 251.374 2.046 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCCC1CCCCC1 ZINC000424084674 330222545 /nfs/dbraw/zinc/22/25/45/330222545.db2.gz FEIDQYMOUQIMCP-CYBMUJFWSA-N 0 3 251.374 2.094 20 30 CEEDHN COc1ccc(F)cc1[C@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424091813 330225429 /nfs/dbraw/zinc/22/54/29/330225429.db2.gz FLMKFIVUXXAZFC-GXFFZTMASA-N 0 3 293.342 2.033 20 30 CEEDHN CCN(CCc1cccs1)C(=O)[C@H](N)CCCC#N ZINC000424093269 330226416 /nfs/dbraw/zinc/22/64/16/330226416.db2.gz IZKWAHOGCAJRAT-CYBMUJFWSA-N 0 3 279.409 2.160 20 30 CEEDHN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000424098920 330230773 /nfs/dbraw/zinc/23/07/73/330230773.db2.gz UQPFBWHWLVVZMH-UPJWGTAASA-N 0 3 251.374 2.093 20 30 CEEDHN C[C@@H](CN(C)C(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424114809 330242827 /nfs/dbraw/zinc/24/28/27/330242827.db2.gz SEJDEWRFXLLXJU-DZGCQCFKSA-N 0 3 273.380 2.270 20 30 CEEDHN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000424120398 330248236 /nfs/dbraw/zinc/24/82/36/330248236.db2.gz DTNQTMFFLKYPBT-MJBXVCDLSA-N 0 3 265.401 2.339 20 30 CEEDHN CN(C(=O)[C@H](N)CCCC#N)[C@H]1CCc2ccccc2C1 ZINC000424124534 330257076 /nfs/dbraw/zinc/25/70/76/330257076.db2.gz MKJVDJVEZPDKPY-JKSUJKDBSA-N 0 3 285.391 2.023 20 30 CEEDHN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H](N)CCCC#N ZINC000424126722 330259007 /nfs/dbraw/zinc/25/90/07/330259007.db2.gz PQPUHEJBERTJAF-BMFZPTHFSA-N 0 3 285.391 2.412 20 30 CEEDHN CN(Cc1ccc(F)cc1Cl)C(=O)[C@@H](N)CCCC#N ZINC000424135746 330270511 /nfs/dbraw/zinc/27/05/11/330270511.db2.gz JUZKJRFZXAAPCF-ZDUSSCGKSA-N 0 3 297.761 2.459 20 30 CEEDHN CN1C(=O)c2ccccc2[C@@H]1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000528006655 330303472 /nfs/dbraw/zinc/30/34/72/330303472.db2.gz YASKQVSFUYKZML-WWGRRREGSA-N 0 3 283.375 2.485 20 30 CEEDHN CCC[C@H](C)[C@@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424163894 330308313 /nfs/dbraw/zinc/30/83/13/330308313.db2.gz AXGXADXBWIXKBP-MJBXVCDLSA-N 0 3 265.401 2.435 20 30 CEEDHN Cc1ccc(F)c(CN(C)C(=O)[C@@H](N)CCCC#N)c1 ZINC000424165504 330309236 /nfs/dbraw/zinc/30/92/36/330309236.db2.gz DUFUVOKBEVDQRJ-AWEZNQCLSA-N 0 3 277.343 2.114 20 30 CEEDHN CC1(C)CCCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424171434 330311704 /nfs/dbraw/zinc/31/17/04/330311704.db2.gz 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/nfs/dbraw/zinc/62/66/30/330626630.db2.gz QDBRARDQGHSICC-UHFFFAOYSA-N 0 3 261.325 2.352 20 30 CEEDHN COc1ccc([C@H](CCO)N[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442772155 330781752 /nfs/dbraw/zinc/78/17/52/330781752.db2.gz ALFUFXMECHYRJR-XPKDYRNWSA-N 0 3 274.364 2.401 20 30 CEEDHN CN(C)C(=O)C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442799244 330784564 /nfs/dbraw/zinc/78/45/64/330784564.db2.gz ZSLRSLSGQKZIDP-BPUTZDHNSA-N 0 3 285.391 2.488 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cnn(-c2ccccc2)c1 ZINC000449517681 330933065 /nfs/dbraw/zinc/93/30/65/330933065.db2.gz GTLCJIGKBOFRHL-CVEARBPZSA-N 0 3 269.348 2.305 20 30 CEEDHN C=CCC[C@@H](CO)NCC1=Cc2ccccc2OC1 ZINC000449695213 330944152 /nfs/dbraw/zinc/94/41/52/330944152.db2.gz DNCNAJBVCBURGU-HNNXBMFYSA-N 0 3 259.349 2.379 20 30 CEEDHN C=C(CC)CNCc1ccc(OCC(=O)OC)cc1 ZINC000449737334 330947401 /nfs/dbraw/zinc/94/74/01/330947401.db2.gz ZAMMZCKIGABULW-UHFFFAOYSA-N 0 3 263.337 2.294 20 30 CEEDHN C=CCN1CCC(NC(=O)CC2CC(F)(F)C2)CC1 ZINC000449846036 330951975 /nfs/dbraw/zinc/95/19/75/330951975.db2.gz VCWJBNQFYZWTOG-UHFFFAOYSA-N 0 3 272.339 2.188 20 30 CEEDHN C=CCN(CCOC)C[C@@H](Cc1ccccc1)OC ZINC000450839622 331002083 /nfs/dbraw/zinc/00/20/83/331002083.db2.gz UEWLANMBSHEHIU-MRXNPFEDSA-N 0 3 263.381 2.379 20 30 CEEDHN C[C@H]1C[C@@]1(C#N)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000450894113 331005356 /nfs/dbraw/zinc/00/53/56/331005356.db2.gz DYSAZEYTOUKUIP-OAOQPFQOSA-N 0 3 297.402 2.173 20 30 CEEDHN C[C@](C#N)(NC(=O)CN[C@H]1CCC12CCCC2)C1CC1 ZINC000451473705 331030891 /nfs/dbraw/zinc/03/08/91/331030891.db2.gz XCRIAWJNIJYXAF-DZGCQCFKSA-N 0 3 275.396 2.107 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000451597461 331035626 /nfs/dbraw/zinc/03/56/26/331035626.db2.gz IKPGEVHBZLDTOO-YJNKXOJESA-N 0 3 280.412 2.099 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000451679353 331038870 /nfs/dbraw/zinc/03/88/70/331038870.db2.gz JQPHIFBBIUJBLO-XQLPTFJDSA-N 0 3 280.412 2.099 20 30 CEEDHN C=CCCN1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451875576 331045744 /nfs/dbraw/zinc/04/57/44/331045744.db2.gz VOBPUAAKXVRGNW-LLVKDONJSA-N 0 3 250.308 2.379 20 30 CEEDHN CC(C)(C#N)CCN1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451892996 331046427 /nfs/dbraw/zinc/04/64/27/331046427.db2.gz QHBYDYPSNSSTRH-UWVGGRQHSA-N 0 3 264.291 2.171 20 30 CEEDHN C=CCCCN(CCN1CCOCC1)Cc1ccco1 ZINC000452043553 331051788 /nfs/dbraw/zinc/05/17/88/331051788.db2.gz BRKPKXCPHIQDTI-UHFFFAOYSA-N 0 3 278.396 2.380 20 30 CEEDHN C[C@@H](CCO)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000452690853 331072378 /nfs/dbraw/zinc/07/23/78/331072378.db2.gz YVMCPYLDUQCJAW-GDBMZVCRSA-N 0 3 288.391 2.284 20 30 CEEDHN CC(C)(CO)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000452810453 331078525 /nfs/dbraw/zinc/07/85/25/331078525.db2.gz CJGHYNKYVTZGSL-OAHLLOKOSA-N 0 3 288.391 2.284 20 30 CEEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000453350913 331120650 /nfs/dbraw/zinc/12/06/50/331120650.db2.gz JZRSQLFJDOAOBF-BBEJJTJUSA-N 0 3 281.421 2.402 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OC)c(O)c1 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C=CC(C)(C)CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458985717 331264090 /nfs/dbraw/zinc/26/40/90/331264090.db2.gz IYUUDGBVMAUOJI-CYBMUJFWSA-N 0 3 279.428 2.324 20 30 CEEDHN C=C(C)CCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458998496 331265467 /nfs/dbraw/zinc/26/54/67/331265467.db2.gz KQYQVIDEORQMMP-ZDUSSCGKSA-N 0 3 265.401 2.078 20 30 CEEDHN C=C(CC)CNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000459099475 331270338 /nfs/dbraw/zinc/27/03/38/331270338.db2.gz RBWGXEFNKFALNT-AWEZNQCLSA-N 0 3 279.428 2.468 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCC2(CC#N)CC2)[C@H]1SC ZINC000459522811 331285851 /nfs/dbraw/zinc/28/58/51/331285851.db2.gz XUFUDZUYPRRVDY-IJLUTSLNSA-N 0 3 254.399 2.179 20 30 CEEDHN C=CCn1cccc1C(=O)NCCN1CCCCCC1 ZINC000488393420 332003886 /nfs/dbraw/zinc/00/38/86/332003886.db2.gz ZABJNCYDSAUHRA-UHFFFAOYSA-N 0 3 275.396 2.280 20 30 CEEDHN C=CCCCS(=O)(=O)NC1CCN(CCCC)CC1 ZINC000489274061 332044743 /nfs/dbraw/zinc/04/47/43/332044743.db2.gz ZYGFWYSRSRHYDP-UHFFFAOYSA-N 0 3 288.457 2.137 20 30 CEEDHN C=C[C@@H]1CCCCN1CCC(=O)N1CCC[C@@H]1C ZINC000489468171 332054588 /nfs/dbraw/zinc/05/45/88/332054588.db2.gz AQQQZLVPIOXONJ-UONOGXRCSA-N 0 3 250.386 2.428 20 30 CEEDHN C=CCCCS(=O)(=O)NC[C@@H](C(CC)CC)N(C)C ZINC000489639151 332062440 /nfs/dbraw/zinc/06/24/40/332062440.db2.gz MUYCBGVUZOVGQR-AWEZNQCLSA-N 0 3 290.473 2.238 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2CC)CC1 ZINC000490575866 332093075 /nfs/dbraw/zinc/09/30/75/332093075.db2.gz ZDGHFUNDLHVFPN-GDBMZVCRSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](C)CCCCC)CC1 ZINC000490590861 332093764 /nfs/dbraw/zinc/09/37/64/332093764.db2.gz WWJJUAFABVRJRP-AWEZNQCLSA-N 0 3 264.413 2.417 20 30 CEEDHN C#CCN1CCC(C(=O)NC(C)(CC)CC)CC1 ZINC000490648659 332099511 /nfs/dbraw/zinc/09/95/11/332099511.db2.gz AVVPYRNDWPCVTC-UHFFFAOYSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC000490679397 332103069 /nfs/dbraw/zinc/10/30/69/332103069.db2.gz RYKNWUVJDPLOSP-BHYGNILZSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN(C(=O)N[C@@H]1CCN(C)[C@H](C)C1)C1CCCCC1 ZINC000490700474 332106001 /nfs/dbraw/zinc/10/60/01/332106001.db2.gz SYWCIUNLDWOMJQ-HUUCEWRRSA-N 0 3 291.439 2.447 20 30 CEEDHN C#CCN1CCC(C(=O)NCCc2sccc2C)CC1 ZINC000490898320 332127135 /nfs/dbraw/zinc/12/71/35/332127135.db2.gz JOKVWSOABODRBB-UHFFFAOYSA-N 0 3 290.432 2.060 20 30 CEEDHN C#CCN(Cc1ccc2c(c1)nnn2C)C1CCCC1 ZINC000490914122 332128319 /nfs/dbraw/zinc/12/83/19/332128319.db2.gz FVBMVKHVXLHKLB-UHFFFAOYSA-N 0 3 268.364 2.346 20 30 CEEDHN C#CCNC(=O)CCN(C)[C@H](CC)c1ccccc1OC ZINC000491121233 332152283 /nfs/dbraw/zinc/15/22/83/332152283.db2.gz PJDVMVYZSJGQAR-OAHLLOKOSA-N 0 3 288.391 2.218 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(C2CCC2)CCC1 ZINC000491294295 332182979 /nfs/dbraw/zinc/18/29/79/332182979.db2.gz AVBKKEOVFNKTEB-UHFFFAOYSA-N 0 3 262.397 2.028 20 30 CEEDHN C#C[C@H](NCc1cnc2ccc(C#N)cn12)C(C)(C)C ZINC000491451164 332213436 /nfs/dbraw/zinc/21/34/36/332213436.db2.gz DTQZEPDGRHINNJ-AWEZNQCLSA-N 0 3 266.348 2.343 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)[C@H]1CCCCN1C(C)C ZINC000491629697 332252588 /nfs/dbraw/zinc/25/25/88/332252588.db2.gz MFRSJRZXTZCEHZ-UONOGXRCSA-N 0 3 250.386 2.167 20 30 CEEDHN C#C[C@@H](NCc1ccc(-n2cncn2)cc1)C(C)(C)C ZINC000491672490 332279136 /nfs/dbraw/zinc/27/91/36/332279136.db2.gz RXPMTIKBASYMFX-OAHLLOKOSA-N 0 3 268.364 2.405 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccn(C(C)C)c1C ZINC000491690153 332287142 /nfs/dbraw/zinc/28/71/42/332287142.db2.gz LFXQTWRZMQIXMX-UHFFFAOYSA-N 0 3 275.396 2.062 20 30 CEEDHN C#CCNC(=O)CCNCc1ccc2sccc2c1 ZINC000491704868 332298083 /nfs/dbraw/zinc/29/80/83/332298083.db2.gz BYBJETLBTNMKTE-UHFFFAOYSA-N 0 3 272.373 2.130 20 30 CEEDHN C#C[C@H](NCc1ccc(-n2cncn2)c(F)c1)C(C)C ZINC000491727440 332310616 /nfs/dbraw/zinc/31/06/16/332310616.db2.gz HKQUXYWULPOJNX-AWEZNQCLSA-N 0 3 272.327 2.154 20 30 CEEDHN C#CCN(CC)CC[C@@H](C(=O)OC)c1ccccc1 ZINC000491732644 332313959 /nfs/dbraw/zinc/31/39/59/332313959.db2.gz ARLXUALSCRNHDN-OAHLLOKOSA-N 0 3 259.349 2.288 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1 ZINC000491755147 332329629 /nfs/dbraw/zinc/32/96/29/332329629.db2.gz YHSACWSJLDWWRV-HYVNUMGLSA-N 0 3 284.403 2.107 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000491781744 332345784 /nfs/dbraw/zinc/34/57/84/332345784.db2.gz NXYQGBHARLRPCG-NVXWUHKLSA-N 0 3 299.418 2.314 20 30 CEEDHN C#C[C@@H](NC(=O)[C@@H]1CCCN1CCC)C(C)(C)C ZINC000491789500 332351729 /nfs/dbraw/zinc/35/17/29/332351729.db2.gz VBZWPXPTIRZCQD-QWHCGFSZSA-N 0 3 250.386 2.025 20 30 CEEDHN C#CCCN1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000494065074 332462569 /nfs/dbraw/zinc/46/25/69/332462569.db2.gz LWYGUPVWVCMTMK-UHFFFAOYSA-N 0 3 266.385 2.341 20 30 CEEDHN C#CCN(CCOCCOC)[C@H]1CCc2ccccc21 ZINC000175583618 333026926 /nfs/dbraw/zinc/02/69/26/333026926.db2.gz ONKUYZHNLKMNMS-KRWDZBQOSA-N 0 3 273.376 2.272 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2C=CCCC2)CC1 ZINC000176598160 333044033 /nfs/dbraw/zinc/04/40/33/333044033.db2.gz WUTFBUHDIQJFNZ-ZDUSSCGKSA-N 0 3 263.385 2.045 20 30 CEEDHN CC[C@H](C)CN(CC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000177846282 333063997 /nfs/dbraw/zinc/06/39/97/333063997.db2.gz RMXAKVLSOHVMQF-KBPBESRZSA-N 0 3 267.417 2.363 20 30 CEEDHN C[C@H](C#N)CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000521141127 333112376 /nfs/dbraw/zinc/11/23/76/333112376.db2.gz MTAAWWVENGKVAX-CYBMUJFWSA-N 0 3 271.364 2.172 20 30 CEEDHN C[C@@H](C#N)CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000172804222 335122811 /nfs/dbraw/zinc/12/28/11/335122811.db2.gz MAJKOOUAYNHGMM-NSHDSACASA-N 0 3 285.347 2.384 20 30 CEEDHN C[C@H](C#N)CNC[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195223196 333248228 /nfs/dbraw/zinc/24/82/28/333248228.db2.gz DFWRPRDBPPJOQA-DOMZBBRYSA-N 0 3 281.400 2.383 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc2ccccc2nc1OC ZINC000546699264 334046855 /nfs/dbraw/zinc/04/68/55/334046855.db2.gz VOTLKNGGLWJIHZ-AWEZNQCLSA-N 0 3 272.348 2.270 20 30 CEEDHN C[C@H](CCCOc1ccccc1C(N)=O)NC[C@H](C)C#N ZINC000546716104 334047657 /nfs/dbraw/zinc/04/76/57/334047657.db2.gz IOJONCRCXISKJU-CHWSQXEVSA-N 0 3 289.379 2.082 20 30 CEEDHN CC(C)N(C)C(=O)[C@@H](C)N1CCC(CCC#N)CC1 ZINC000576223840 335173106 /nfs/dbraw/zinc/17/31/06/335173106.db2.gz PNALEFXKUYEXGO-CYBMUJFWSA-N 0 3 265.401 2.257 20 30 CEEDHN C=CCN(CCCC(=O)N(C)C)CCc1ccco1 ZINC000564344474 334147765 /nfs/dbraw/zinc/14/77/65/334147765.db2.gz RCKLYOHJTXJYMQ-UHFFFAOYSA-N 0 3 264.369 2.179 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H](C)C1(C)CC1 ZINC000246111051 334233752 /nfs/dbraw/zinc/23/37/52/334233752.db2.gz JUWJRFRZRYQDTD-CHWSQXEVSA-N 0 3 265.401 2.115 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC[C@H](C)C[C@@H](C)C1 ZINC000246544084 334264018 /nfs/dbraw/zinc/26/40/18/334264018.db2.gz DDHYNIWCBBCNNO-UONOGXRCSA-N 0 3 265.401 2.117 20 30 CEEDHN C=C(C)CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000249126295 334328632 /nfs/dbraw/zinc/32/86/32/334328632.db2.gz CDBJCRDSJGIHRN-GDBMZVCRSA-N 0 3 287.407 2.382 20 30 CEEDHN CC(C#N)C(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000553773144 334398538 /nfs/dbraw/zinc/39/85/38/334398538.db2.gz SRWANOMWSMZRPN-RWMBFGLXSA-N 0 3 290.388 2.173 20 30 CEEDHN C=CCN(C(=O)[C@H](C)NC)c1nc2c(s1)CCCC2 ZINC000565489991 334568480 /nfs/dbraw/zinc/56/84/80/334568480.db2.gz DHSONEFQXDTOBV-JTQLQIEISA-N 0 3 279.409 2.149 20 30 CEEDHN N#CCNC(=O)CN[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000180297397 335567951 /nfs/dbraw/zinc/56/79/51/335567951.db2.gz WSBHOYPYEUBPRT-MRXNPFEDSA-N 0 3 289.354 2.286 20 30 CEEDHN CC[C@@H]1CN(C)CCN1Cc1ccc(CC#N)cc1 ZINC000581604052 336110400 /nfs/dbraw/zinc/11/04/00/336110400.db2.gz AEEBBTONUYKIDI-MRXNPFEDSA-N 0 3 257.381 2.279 20 30 CEEDHN CC(C)CCN(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000052246071 519650982 /nfs/dbraw/zinc/65/09/82/519650982.db2.gz HEWULLMNBVZBKQ-AWEZNQCLSA-N 0 3 253.390 2.019 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](CC1CCCCC1)C(=O)OC ZINC000593652527 500730312 /nfs/dbraw/zinc/73/03/12/500730312.db2.gz GEJSBFVMWAMDNE-OLZOCXBDSA-N 0 3 280.368 2.164 20 30 CEEDHN CCC[C@@]1(CO)CCCN1Cc1cc(C#N)n(C)c1 ZINC000278647423 520959566 /nfs/dbraw/zinc/95/95/66/520959566.db2.gz JLLJXJZVGKPZQL-HNNXBMFYSA-N 0 3 261.369 2.024 20 30 CEEDHN COc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1C#N ZINC000353633463 533899256 /nfs/dbraw/zinc/89/92/56/533899256.db2.gz XUXLABUTOPBJPD-SMDDNHRTSA-N 0 3 255.321 2.349 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000336583076 534282443 /nfs/dbraw/zinc/28/24/43/534282443.db2.gz WHRXMDYWHUGJGV-VXGBXAGGSA-N 0 3 250.342 2.144 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc[nH]c1)C(C)C ZINC000069154577 518772140 /nfs/dbraw/zinc/77/21/40/518772140.db2.gz AAJPOGHTKQQVNV-OAHLLOKOSA-N 0 3 275.396 2.443 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H](CC)c1cccs1 ZINC000049530838 518922425 /nfs/dbraw/zinc/92/24/25/518922425.db2.gz ZFNOOOHXZWVLCE-WDEREUQCSA-N 0 3 252.383 2.480 20 30 CEEDHN C=CC[C@@H](CO)NCc1c[nH]c(-c2ccccc2)n1 ZINC000184267307 519104326 /nfs/dbraw/zinc/10/43/26/519104326.db2.gz MCUKGWAPRLHKSU-ZDUSSCGKSA-N 0 3 257.337 2.103 20 30 CEEDHN C=CC[C@@H](CO)NCc1cnc(-c2ccccc2)[nH]1 ZINC000184267307 519104332 /nfs/dbraw/zinc/10/43/32/519104332.db2.gz MCUKGWAPRLHKSU-ZDUSSCGKSA-N 0 3 257.337 2.103 20 30 CEEDHN CC(C)OC[C@@H](C)NCCOc1ccc(C#N)cc1 ZINC000337328912 519770647 /nfs/dbraw/zinc/77/06/47/519770647.db2.gz FIMOTTHHZSDMIM-CYBMUJFWSA-N 0 3 262.353 2.340 20 30 CEEDHN Cc1cn2cc(NC(=O)NC3CCN(C)CC3)ccc2n1 ZINC000329205605 534513168 /nfs/dbraw/zinc/51/31/68/534513168.db2.gz DLIVDRKVWGSXMM-UHFFFAOYSA-N 0 3 287.367 2.063 20 30 CEEDHN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)C(C)C#N ZINC000336603257 534689994 /nfs/dbraw/zinc/68/99/94/534689994.db2.gz YUJRBSMOXSJOLI-JSGCOSHPSA-N 0 3 296.374 2.495 20 30 CEEDHN C[C@@H](CO)N1CCCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000364955057 524798470 /nfs/dbraw/zinc/79/84/70/524798470.db2.gz PLNJFBYWJVSDBU-LBPRGKRZSA-N 0 3 293.798 2.105 20 30 CEEDHN C=CCN1CCC(NC(=O)C(C)(C)c2cccnc2)CC1 ZINC000350769138 526419710 /nfs/dbraw/zinc/41/97/10/526419710.db2.gz WEBSGZOJODHEEJ-UHFFFAOYSA-N 0 3 287.407 2.126 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000333603173 526445601 /nfs/dbraw/zinc/44/56/01/526445601.db2.gz VOKDQHZCOSBMAP-KRWDZBQOSA-N 0 3 287.407 2.227 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccnc2C2CC2)CC1 ZINC000345033431 526449532 /nfs/dbraw/zinc/44/95/32/526449532.db2.gz OQRNPMAXMXTVHH-UHFFFAOYSA-N 0 3 285.391 2.339 20 30 CEEDHN C=C(C)CN(CC)Cc1cc(C(=O)OC)n(C)c1 ZINC000347644286 526547774 /nfs/dbraw/zinc/54/77/74/526547774.db2.gz UNGBHKJFBOUYCB-UHFFFAOYSA-N 0 3 250.342 2.210 20 30 CEEDHN C=CCNC(=O)CN[C@H](CC)c1cccc(OC)c1 ZINC000347338833 526573330 /nfs/dbraw/zinc/57/33/30/526573330.db2.gz NCBMWYSJINFKSE-CQSZACIVSA-N 0 3 262.353 2.038 20 30 CEEDHN C=C(C)CN1CCC(NCc2nc(C#N)cs2)CC1 ZINC000352844296 526604343 /nfs/dbraw/zinc/60/43/43/526604343.db2.gz FPKBYSBIHSWGOF-UHFFFAOYSA-N 0 3 276.409 2.145 20 30 CEEDHN C=C(CNC(=O)N1CCN(C)CC[C@H]1C)c1ccccc1 ZINC000335979684 526867659 /nfs/dbraw/zinc/86/76/59/526867659.db2.gz ZNQPSKPIKCZIST-OAHLLOKOSA-N 0 3 287.407 2.435 20 30 CEEDHN C=C(CNC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000353443589 526874994 /nfs/dbraw/zinc/87/49/94/526874994.db2.gz HBHXFSYPPYGUTL-HNNXBMFYSA-N 0 3 285.391 2.236 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000346450529 527156146 /nfs/dbraw/zinc/15/61/46/527156146.db2.gz OYLVZHMYTUYBLS-FRRDWIJNSA-N 0 3 253.390 2.123 20 30 CEEDHN CC(C)(CO)CCNCc1ccc(C#N)c(F)c1 ZINC000403987082 527202993 /nfs/dbraw/zinc/20/29/93/527202993.db2.gz CLJHGYDLFNTAJJ-UHFFFAOYSA-N 0 3 250.317 2.196 20 30 CEEDHN C=CCn1cccc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000347289689 527386058 /nfs/dbraw/zinc/38/60/58/527386058.db2.gz LQVIXSOZQZUGNL-HNNXBMFYSA-N 0 3 287.407 2.421 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000347285429 527398783 /nfs/dbraw/zinc/39/87/83/527398783.db2.gz DIILMRFZJAFVNO-UKRRQHHQSA-N 0 3 280.412 2.101 20 30 CEEDHN C=CCC[C@H](O)CN[C@H](CCC)c1nnc2ccccn21 ZINC000347643337 527495060 /nfs/dbraw/zinc/49/50/60/527495060.db2.gz WFRHFSCBWSXYBP-UONOGXRCSA-N 0 3 288.395 2.487 20 30 CEEDHN CCN(CCC1CC1)CC(=O)NCc1cccc(C#N)c1 ZINC000355055973 528423479 /nfs/dbraw/zinc/42/34/79/528423479.db2.gz IDNDVWOLJVGYHJ-UHFFFAOYSA-N 0 3 285.391 2.296 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](C2CC2)C1 ZINC000344102326 528622481 /nfs/dbraw/zinc/62/24/81/528622481.db2.gz OAYSRQXTCREHQT-DZGCQCFKSA-N 0 3 277.412 2.117 20 30 CEEDHN CC(C)N(C)CC(=O)N(CCC#N)CC(C)(C)C ZINC000344507579 528807707 /nfs/dbraw/zinc/80/77/07/528807707.db2.gz BVDSOIAXICJFLZ-UHFFFAOYSA-N 0 3 253.390 2.115 20 30 CEEDHN CCC(O)(CC)CNCc1ccc(C#N)c(F)c1 ZINC000404246478 528975205 /nfs/dbraw/zinc/97/52/05/528975205.db2.gz GXQGFBWRDOOXCV-UHFFFAOYSA-N 0 3 250.317 2.338 20 30 CEEDHN CC(C)N1CCC[C@@H](NC(=O)C2(C#N)CCCC2)C1 ZINC000336059124 529015258 /nfs/dbraw/zinc/01/52/58/529015258.db2.gz PDOPMJWUDKONKP-CYBMUJFWSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ccc3nccn3c2)CC1 ZINC000738947505 574419667 /nfs/dbraw/zinc/41/96/67/574419667.db2.gz BUHPJNWVRNTZQK-UHFFFAOYSA-N 0 3 299.378 2.106 20 30 CEEDHN C[C@H](CO)NN=C1CCCC[C@@H]1N1CCCCCC1 ZINC000749816703 574447552 /nfs/dbraw/zinc/44/75/52/574447552.db2.gz SOWUWSJHBYXCQN-HIFRSBDPSA-N 0 3 267.417 2.131 20 30 CEEDHN C=CCNC(=S)N(CCN(C)C)Cc1cccc(C)c1 ZINC000728449870 574466133 /nfs/dbraw/zinc/46/61/33/574466133.db2.gz QIQUCZRMCKHVGR-UHFFFAOYSA-N 0 3 291.464 2.419 20 30 CEEDHN CC(C)N1CC(N=Nc2cncc(Cl)n2)[C@H](C)C1 ZINC000754256862 574577191 /nfs/dbraw/zinc/57/71/91/574577191.db2.gz GBRAXWZFGUFSBR-SECBINFHSA-N 0 3 267.764 2.258 20 30 CEEDHN C=C(Cl)CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000764783326 574602807 /nfs/dbraw/zinc/60/28/07/574602807.db2.gz KKJXOVMNFPIYGS-GFCCVEGCSA-N 0 3 271.792 2.055 20 30 CEEDHN C#CCNC(=O)CN(C)[C@H](c1ccccc1)C(C)C ZINC000732983954 574637910 /nfs/dbraw/zinc/63/79/10/574637910.db2.gz MPBBZBMIONPQKC-INIZCTEOSA-N 0 3 258.365 2.065 20 30 CEEDHN CC(C)[C@@H](CN(C)C)NC(=O)c1cccc(CC#N)c1 ZINC000733163137 574647081 /nfs/dbraw/zinc/64/70/81/574647081.db2.gz BYEVFGCZDNFKSF-OAHLLOKOSA-N 0 3 273.380 2.069 20 30 CEEDHN C=CC[C@@H](NC(=O)CN(CC)CC)c1ccncc1 ZINC000734456276 574715246 /nfs/dbraw/zinc/71/52/46/574715246.db2.gz WBWVIZUBCDGHFC-CQSZACIVSA-N 0 3 261.369 2.157 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CCCOC3)nc21 ZINC000735791621 574766597 /nfs/dbraw/zinc/76/65/97/574766597.db2.gz AGLGXARKJIXPLU-NWDGAFQWSA-N 0 3 283.331 2.474 20 30 CEEDHN CCCCCCN(C)CC(=O)N(CC)CCC#N ZINC000735703950 574764897 /nfs/dbraw/zinc/76/48/97/574764897.db2.gz NIIDZSFSJKEKPD-UHFFFAOYSA-N 0 3 253.390 2.261 20 30 CEEDHN COCCON=C1CCN(CCc2ccc(F)cc2)CC1 ZINC000748789690 575195959 /nfs/dbraw/zinc/19/59/59/575195959.db2.gz NSHMCHBPVYBSBQ-UHFFFAOYSA-N 0 3 294.370 2.483 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2ccccc2F)CC1 ZINC000740737195 574967245 /nfs/dbraw/zinc/96/72/45/574967245.db2.gz DJUMHMNNOIHXTL-UHFFFAOYSA-N 0 3 274.339 2.043 20 30 CEEDHN C#CCOc1ccc(C(=O)N[C@@H](CN(C)C)C(C)C)cc1 ZINC000741690225 574994316 /nfs/dbraw/zinc/99/43/16/574994316.db2.gz BLIYMASWQZOVIR-INIZCTEOSA-N 0 3 288.391 2.015 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2cc(C)cc(F)c2)CC1 ZINC000743489618 575105188 /nfs/dbraw/zinc/10/51/88/575105188.db2.gz IPSNDFLSWHNABJ-UHFFFAOYSA-N 0 3 288.366 2.352 20 30 CEEDHN C#CCCN1CCC(NC(=O)CSCCCC)CC1 ZINC000743492049 575105285 /nfs/dbraw/zinc/10/52/85/575105285.db2.gz OEGHLWKDCVJESG-UHFFFAOYSA-N 0 3 282.453 2.124 20 30 CEEDHN C#CCCN1CCC(NC(=O)CCCCSC)CC1 ZINC000743492730 575105355 /nfs/dbraw/zinc/10/53/55/575105355.db2.gz ZSYYUIKXVYPXES-UHFFFAOYSA-N 0 3 282.453 2.124 20 30 CEEDHN COc1ccc(NC(=O)C(C#N)C(=O)C=CC2CC2)cc1 ZINC000744032995 575112403 /nfs/dbraw/zinc/11/24/03/575112403.db2.gz KYHMSPVROHCAFC-MDDUGHTDSA-N 0 3 284.315 2.309 20 30 CEEDHN CCCCCCOc1cccc(C=NNC(=N)N)c1 ZINC000747040073 575166516 /nfs/dbraw/zinc/16/65/16/575166516.db2.gz HZPKLPYFBWPHSH-UHFFFAOYSA-N 0 3 262.357 2.463 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)C#Cc1ccccc1 ZINC000747223138 575168660 /nfs/dbraw/zinc/16/86/60/575168660.db2.gz BJNRKODCGNFXPR-QGZVFWFLSA-N 0 3 284.403 2.419 20 30 CEEDHN CC[C@@](C)(CC(=O)OC)NCc1ccc(OC)c(C#N)c1 ZINC000748247369 575181102 /nfs/dbraw/zinc/18/11/02/575181102.db2.gz USTRVAIZZUKOQZ-INIZCTEOSA-N 0 3 290.363 2.388 20 30 CEEDHN C1CC[C@H](N2CCCCCC2)C(=NN2CCOCC2)C1 ZINC000749806824 575234867 /nfs/dbraw/zinc/23/48/67/575234867.db2.gz HDXJGKKVZABWIH-INIZCTEOSA-N 0 3 279.428 2.493 20 30 CEEDHN COC[C@H]1CCCN1Cc1ccc(OCC#N)cc1 ZINC000752088966 575305274 /nfs/dbraw/zinc/30/52/74/575305274.db2.gz QLJZGZYIDZXKKJ-CQSZACIVSA-N 0 3 260.337 2.200 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000981999441 613003871 /nfs/dbraw/zinc/00/38/71/613003871.db2.gz YJFDHNIXOVFMMK-HZPDHXFCSA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCCN1CCN(CC[C@@H]2CCCC2(F)F)CC1 ZINC000878313396 651063254 /nfs/dbraw/zinc/06/32/54/651063254.db2.gz WYYKNNDDJLDGKA-AWEZNQCLSA-N 0 3 270.367 2.453 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2(C3CC3)CC2)C(C)(C)C1 ZINC000974696508 613036728 /nfs/dbraw/zinc/03/67/28/613036728.db2.gz BQKLLVQXSFVZSS-AWEZNQCLSA-N 0 3 274.408 2.027 20 30 CEEDHN CN(CC(=O)NCc1cc(C#N)ccc1F)CC(C)(C)C ZINC000820336214 634382537 /nfs/dbraw/zinc/38/25/37/634382537.db2.gz ZUCJUKDJBAONCN-UHFFFAOYSA-N 0 3 291.370 2.291 20 30 CEEDHN N#CCC1CC[NH+](Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000826380825 609410861 /nfs/dbraw/zinc/41/08/61/609410861.db2.gz NQHDCOKCXRGXAO-UHFFFAOYSA-N 0 3 288.380 2.054 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C2CCC(C3CC3)CC2)C1 ZINC000970604966 612960203 /nfs/dbraw/zinc/96/02/03/612960203.db2.gz BFZLDVLDRHYMTH-UYSNPLJNSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC000970073447 612963158 /nfs/dbraw/zinc/96/31/58/612963158.db2.gz QBZKIMZUDYOJBB-WCVJEAGWSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)C1 ZINC000969802945 612963440 /nfs/dbraw/zinc/96/34/40/612963440.db2.gz QBXWXJGGIONJSR-IUODEOHRSA-N 0 3 290.794 2.267 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc(C(F)F)ccc2F)C1 ZINC000968702565 612964521 /nfs/dbraw/zinc/96/45/21/612964521.db2.gz JKYDIZHLCILLOJ-LLVKDONJSA-N 0 3 296.292 2.201 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc(C3CC3)oc2C2CC2)C1 ZINC000969417211 612964889 /nfs/dbraw/zinc/96/48/89/612964889.db2.gz STTUVBHPMRQDSO-CQSZACIVSA-N 0 3 298.386 2.472 20 30 CEEDHN 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C=C(C)CN1CC([C@H](C)NC(=O)c2cccc(F)c2)C1 ZINC000969227700 613303365 /nfs/dbraw/zinc/30/33/65/613303365.db2.gz MSJCPYGWVLLXEM-LBPRGKRZSA-N 0 3 276.355 2.452 20 30 CEEDHN C=C(C)CN1CCCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000980680772 613308078 /nfs/dbraw/zinc/30/80/78/613308078.db2.gz HKKSDDFPMCGGNX-OAHLLOKOSA-N 0 3 262.397 2.453 20 30 CEEDHN C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC=CCCC3)[C@@H]2C1 ZINC000978328828 613308456 /nfs/dbraw/zinc/30/84/56/613308456.db2.gz ZKPWGTBOCLRNNZ-LUKYLMHMSA-N 0 3 286.419 2.050 20 30 CEEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000967968281 613325495 /nfs/dbraw/zinc/32/54/95/613325495.db2.gz NJOOEEALKJYDDK-RBGFHDKUSA-N 0 3 276.424 2.435 20 30 CEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C2=COCCC2)C1 ZINC000965474374 613333532 /nfs/dbraw/zinc/33/35/32/613333532.db2.gz HJRJAOPXJAXFTM-DZGCQCFKSA-N 0 3 278.396 2.083 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)C2CCC2)C(C)(C)C1 ZINC000972730008 613341075 /nfs/dbraw/zinc/34/10/75/613341075.db2.gz 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CC#CCN1CC[C@@H](NC(=O)C2CCCC2)[C@H](C)C1 ZINC000941730274 613578236 /nfs/dbraw/zinc/57/82/36/613578236.db2.gz QTKUJHAYXFGHSZ-UKRRQHHQSA-N 0 3 262.397 2.027 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccccc2)[C@H](C)C1 ZINC000942189116 613579027 /nfs/dbraw/zinc/57/90/27/613579027.db2.gz PSJMDFXOQILPJN-NVXWUHKLSA-N 0 3 284.403 2.079 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@H](C)C1 ZINC000942116117 613581680 /nfs/dbraw/zinc/58/16/80/613581680.db2.gz GGOBACSSYLDUPB-CZUORRHYSA-N 0 3 299.418 2.356 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)c2ncc(C)cc2C)C[C@H]1C ZINC000947564397 613589284 /nfs/dbraw/zinc/58/92/84/613589284.db2.gz PVRQAKNPVIYSOG-HZPDHXFCSA-N 0 3 299.418 2.304 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)C(C2CC2)C2CC2)C[C@@H]1C ZINC000947912820 613595316 /nfs/dbraw/zinc/59/53/16/613595316.db2.gz QXPLHFSIBHRIQE-BBRMVZONSA-N 0 3 288.435 2.415 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)C2(C)CC=CC2)C[C@@H]1C ZINC000947693835 613595912 /nfs/dbraw/zinc/59/59/12/613595912.db2.gz 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C=CCN(C)[C@H]1CCN(C(=O)c2ccc(C)cc2OC)C1 ZINC000972764544 613636985 /nfs/dbraw/zinc/63/69/85/613636985.db2.gz YBHVDMHJDLNHGD-AWEZNQCLSA-N 0 3 288.391 2.336 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(C(F)F)nc2)C1 ZINC000971654683 613637015 /nfs/dbraw/zinc/63/70/15/613637015.db2.gz BPFYYEKXUMXRAJ-LBPRGKRZSA-N 0 3 295.333 2.352 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ncc(Cl)s2)C1 ZINC000971936201 613640056 /nfs/dbraw/zinc/64/00/56/613640056.db2.gz CQAQIVBDSDISBW-VIFPVBQESA-N 0 3 285.800 2.129 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)[C@]34C[C@H]3CCC4)C2)C1 ZINC000981905377 613679757 /nfs/dbraw/zinc/67/97/57/613679757.db2.gz QZUSJEUOZFKYLW-RHSMWYFYSA-N 0 3 274.408 2.287 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)C2(C)CCOCC2)C(C)(C)C1 ZINC000941092082 613740292 /nfs/dbraw/zinc/74/02/92/613740292.db2.gz ARWWGUDVIRHXEK-CQSZACIVSA-N 0 3 294.439 2.206 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc3c[nH]nc32)[C@@H](C)C1 ZINC000942555297 613754337 /nfs/dbraw/zinc/75/43/37/613754337.db2.gz IAGJWSZHRQEORD-SWLSCSKDSA-N 0 3 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C#CCCN1CCC[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001009154515 628589872 /nfs/dbraw/zinc/58/98/72/628589872.db2.gz PQJGKNBPQCLGTE-ZBFHGGJFSA-N 0 3 276.424 2.417 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1csc(C#N)c1 ZINC000893553954 628736814 /nfs/dbraw/zinc/73/68/14/628736814.db2.gz RAMDNUPYECGSNL-VHSXEESVSA-N 0 3 266.366 2.297 20 30 CEEDHN CCCCCC(=O)NC1CCN(CCO[C@H](C)C#N)CC1 ZINC000801914198 634684637 /nfs/dbraw/zinc/68/46/37/634684637.db2.gz ABHOCBTZZKNUAF-CQSZACIVSA-N 0 3 295.427 2.076 20 30 CEEDHN C[C@@H](C#N)C(=O)N1CCCN([C@@H](C)c2ccccc2)CC1 ZINC000980838653 628815299 /nfs/dbraw/zinc/81/52/99/628815299.db2.gz VENGMPSALFRFSX-GJZGRUSLSA-N 0 3 285.391 2.442 20 30 CEEDHN C=CCCCN(CC)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000893627609 628836335 /nfs/dbraw/zinc/83/63/35/628836335.db2.gz ZQJFNFKCZWWLKG-DZGCQCFKSA-N 0 3 279.428 2.467 20 30 CEEDHN CCN(C(=O)c1cc(C#N)ccc1C)C1CCN(C)CC1 ZINC000821400933 634711643 /nfs/dbraw/zinc/71/16/43/634711643.db2.gz MMXGXKJPROPPGJ-UHFFFAOYSA-N 0 3 285.391 2.423 20 30 CEEDHN C#CCCCCCN1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000878535349 629232749 /nfs/dbraw/zinc/23/27/49/629232749.db2.gz XNOPBXIDLXJFOP-HUUCEWRRSA-N 0 3 251.370 2.060 20 30 CEEDHN CC[C@@H](C)NN=Cc1c(C)nn(-c2ccccc2)c1N ZINC000794939449 629366997 /nfs/dbraw/zinc/36/69/97/629366997.db2.gz IWGRFGUXACCQRG-LLVKDONJSA-N 0 3 271.368 2.485 20 30 CEEDHN CC[C@H]1[C@H](CO)CCN1Cc1csc(C#N)c1 ZINC000894688169 629591530 /nfs/dbraw/zinc/59/15/30/629591530.db2.gz NIOBUNNDJHXBJN-AAEUAGOBSA-N 0 3 250.367 2.213 20 30 CEEDHN N#CCCNC(=O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000796279650 629831434 /nfs/dbraw/zinc/83/14/34/629831434.db2.gz DEOSBYOLIPLFGO-ZACQAIPSSA-N 0 3 297.402 2.284 20 30 CEEDHN CC1(C)CCC[C@@H]([NH2+][C@H]2CCCN([O-])C2=O)CC1 ZINC000895156597 629972722 /nfs/dbraw/zinc/97/27/22/629972722.db2.gz DTZWNAUQHFNFLL-NEPJUHHUSA-N 0 3 254.374 2.315 20 30 CEEDHN C[C@H]1C[C@H]([NH2+][C@@H]2CCCN([O-])C2=O)CC(C)(C)C1 ZINC000895157262 629973183 /nfs/dbraw/zinc/97/31/83/629973183.db2.gz OHKWUFKOTXXNGY-SDDRHHMPSA-N 0 3 254.374 2.171 20 30 CEEDHN CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@H]2CCCN([O-])C2=O)CC1 ZINC000895157928 629974332 /nfs/dbraw/zinc/97/43/32/629974332.db2.gz UIPYOAVRVNTJOB-MCIONIFRSA-N 0 3 266.385 2.481 20 30 CEEDHN O=C1[C@H]([NH2+][C@H]2CCCC23CCCC3)CCCN1[O-] ZINC000895159436 629976652 /nfs/dbraw/zinc/97/66/52/629976652.db2.gz VUVCILBDVBIDJV-NEPJUHHUSA-N 0 3 252.358 2.069 20 30 CEEDHN C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895159414 629976738 /nfs/dbraw/zinc/97/67/38/629976738.db2.gz VKRFUDPUYQXVGK-RISCZKNCSA-N 0 3 288.347 2.334 20 30 CEEDHN CCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000796886032 630052491 /nfs/dbraw/zinc/05/24/91/630052491.db2.gz WHKQMGHZDLGMHK-LLVKDONJSA-N 0 3 264.712 2.075 20 30 CEEDHN C[C@@H](NCCc1ccccn1)c1cc(C#N)ccn1 ZINC000902721341 634793386 /nfs/dbraw/zinc/79/33/86/634793386.db2.gz XXABQKIDNLXGGR-GFCCVEGCSA-N 0 3 252.321 2.242 20 30 CEEDHN COc1ccc(C2=NO[C@H](CN[C@@H]3CC[C@@H](C#N)C3)C2)cc1 ZINC000895496603 630224152 /nfs/dbraw/zinc/22/41/52/630224152.db2.gz SWIILMHMVVJYIS-XPKDYRNWSA-N 0 3 299.374 2.470 20 30 CEEDHN C#C[C@@H](NC(=O)N(C)[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000895686268 630301177 /nfs/dbraw/zinc/30/11/77/630301177.db2.gz BARLHZWIWVCHQY-HZPDHXFCSA-N 0 3 285.391 2.097 20 30 CEEDHN C=C1CCC(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000896612033 630609883 /nfs/dbraw/zinc/60/98/83/630609883.db2.gz VVUFHIGNIZBKCF-INIZCTEOSA-N 0 3 294.439 2.302 20 30 CEEDHN C[C@H](NCC1(O)CCCCC1)c1cc(C#N)ccn1 ZINC000902783857 634828024 /nfs/dbraw/zinc/82/80/24/634828024.db2.gz KIDFOJMNRBTMHK-LBPRGKRZSA-N 0 3 259.353 2.299 20 30 CEEDHN COC(=O)[C@@H]1[C@@H](CNCc2ccc(C)c(C#N)c2)C1(F)F ZINC000896880708 630699634 /nfs/dbraw/zinc/69/96/34/630699634.db2.gz LZDMZEUBYWLVNE-OLZOCXBDSA-N 0 3 294.301 2.011 20 30 CEEDHN CCN(CC)c1ccc(/C=[NH+]/CCNC(=O)OC)c([O-])c1 ZINC000840710060 630828963 /nfs/dbraw/zinc/82/89/63/630828963.db2.gz OKPGIKQODZZWLJ-LFIBNONCSA-N 0 3 293.367 2.013 20 30 CEEDHN CCCN(CCN(C)C)C(=O)c1[nH]c2ccccc2c1C#N ZINC000897058913 630909165 /nfs/dbraw/zinc/90/91/65/630909165.db2.gz WBFUBVGWLWIOLV-UHFFFAOYSA-N 0 3 298.390 2.453 20 30 CEEDHN C=CCN1CC[C@H](N[C@H](C)c2ccc(C)s2)C1=O ZINC000799165800 630990138 /nfs/dbraw/zinc/99/01/38/630990138.db2.gz OUOIHNAWUKTRGU-NEPJUHHUSA-N 0 3 264.394 2.494 20 30 CEEDHN Cc1nsc(NCCN2CCC(C)(C)C2)c1C#N ZINC000897249077 631016337 /nfs/dbraw/zinc/01/63/37/631016337.db2.gz LGZGWZINKKPTIF-UHFFFAOYSA-N 0 3 264.398 2.467 20 30 CEEDHN Cc1cccc([C@H]2CCCN2CCO[C@@H](C)C#N)n1 ZINC000801929743 631359724 /nfs/dbraw/zinc/35/97/24/631359724.db2.gz YPZNBXYOHXVLGC-DZGCQCFKSA-N 0 3 259.353 2.456 20 30 CEEDHN COC(=O)[C@H](C)[C@@H](NCCO[C@@H](C)C#N)c1ccccc1 ZINC000801934863 631360934 /nfs/dbraw/zinc/36/09/34/631360934.db2.gz SFRLUWFHQVOVIK-GZBFAFLISA-N 0 3 290.363 2.055 20 30 CEEDHN COc1cccc(C2(NCCO[C@H](C)C#N)CC2)c1 ZINC000801940387 631364918 /nfs/dbraw/zinc/36/49/18/631364918.db2.gz WWMWVTVNGPJAHS-GFCCVEGCSA-N 0 3 260.337 2.203 20 30 CEEDHN N#CC(C(=O)CCn1ccnn1)c1ccc2ccccc2n1 ZINC000802034104 631377325 /nfs/dbraw/zinc/37/73/25/631377325.db2.gz AQJFCMMEZRGFAZ-CYBMUJFWSA-N 0 3 291.314 2.093 20 30 CEEDHN C[C@@H]1CCCN1CCNC(=O)c1[nH]c2ccccc2c1C#N ZINC000897429304 631421051 /nfs/dbraw/zinc/42/10/51/631421051.db2.gz CEGSSBJPOAVLSI-GFCCVEGCSA-N 0 3 296.374 2.254 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(C)cc(Cl)c2)C1 ZINC000989186891 631745773 /nfs/dbraw/zinc/74/57/73/631745773.db2.gz IXCQFGYLLLYAJP-SWLSCSKDSA-N 0 3 290.794 2.474 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cnc3ccsc3c2)C1 ZINC000989299122 631770648 /nfs/dbraw/zinc/77/06/48/631770648.db2.gz GRVJVQFTQFPKHK-YPMHNXCESA-N 0 3 299.399 2.122 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2nccc3ccccc32)C1 ZINC000989374382 631799336 /nfs/dbraw/zinc/79/93/36/631799336.db2.gz MTLKZORFZZKAAW-ZFWWWQNUSA-N 0 3 293.370 2.061 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3ccccc3n2C)C1 ZINC000989380060 631802942 /nfs/dbraw/zinc/80/29/42/631802942.db2.gz AJUCKQRULOQCNQ-DZGCQCFKSA-N 0 3 295.386 2.004 20 30 CEEDHN N#CC[C@@H](O)CN1CCC(CN2CCc3ccccc32)CC1 ZINC000809573956 632102622 /nfs/dbraw/zinc/10/26/22/632102622.db2.gz DBOVHLYDQDDAFE-QGZVFWFLSA-N 0 3 299.418 2.036 20 30 CEEDHN CC(C)(C)N1CC[C@](F)(C(=O)C(C#N)c2ccccn2)C1 ZINC000810526766 632222143 /nfs/dbraw/zinc/22/21/43/632222143.db2.gz CXZVNFYRMKETAX-MLGOLLRUSA-N 0 3 289.354 2.470 20 30 CEEDHN N#CC(C(=O)NCc1ccccc1)C(=O)C1(CCF)CC1 ZINC000810529999 632223435 /nfs/dbraw/zinc/22/34/35/632223435.db2.gz SLEHMKVJYZXNPQ-CYBMUJFWSA-N 0 3 288.322 2.151 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)C3CCCCC3)CCC[C@H]12 ZINC000989919694 632281693 /nfs/dbraw/zinc/28/16/93/632281693.db2.gz STPXUAIBRCFOMS-RDJZCZTQSA-N 0 3 274.408 2.313 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)Cc3ccsc3)CCC[C@H]12 ZINC000989927479 632283423 /nfs/dbraw/zinc/28/34/23/632283423.db2.gz AECOEJRLMRQKOF-GOEBONIOSA-N 0 3 288.416 2.037 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccc(C)n3C)CCC[C@H]12 ZINC000989953871 632288888 /nfs/dbraw/zinc/28/88/88/632288888.db2.gz JAKOQNBCOIVKAT-FUHWJXTLSA-N 0 3 299.418 2.084 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccncc3F)CCC[C@H]12 ZINC000990097953 632313931 /nfs/dbraw/zinc/31/39/31/632313931.db2.gz WJSFLWXHOQYAFN-HOCLYGCPSA-N 0 3 289.354 2.134 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)C3CC(C)C3)CCC[C@H]12 ZINC000990194810 632326288 /nfs/dbraw/zinc/32/62/88/632326288.db2.gz VUQKNUYMTYSSJM-NDTCATRNSA-N 0 3 274.408 2.169 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)n3cccc3)CCC[C@@H]12 ZINC000990238300 632329210 /nfs/dbraw/zinc/32/92/10/632329210.db2.gz RGNNNNZCWQCEJW-ZMSDIMECSA-N 0 3 287.407 2.348 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CC3(C)C)CCC[C@H]12 ZINC000990267030 632332465 /nfs/dbraw/zinc/33/24/65/632332465.db2.gz PAGABJFGZMQOFR-HEHGZKQESA-N 0 3 262.397 2.332 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCCOCC3)CCC[C@H]12 ZINC000990476818 632367517 /nfs/dbraw/zinc/36/75/17/632367517.db2.gz PQHRQLKKOWKSOV-HLLBOEOZSA-N 0 3 292.423 2.102 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3cc[nH]c3CC)CCC[C@H]12 ZINC000990491519 632369117 /nfs/dbraw/zinc/36/91/17/632369117.db2.gz DLNXJKYRLIXSKG-DOTOQJQBSA-N 0 3 287.407 2.490 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3cc[nH]c3CC)CCC[C@@H]12 ZINC000990512370 632373398 /nfs/dbraw/zinc/37/33/98/632373398.db2.gz FXVXDTJNYOZHFM-SJLPKXTDSA-N 0 3 299.418 2.327 20 30 CEEDHN N#Cc1cc(CN[C@H]2Cc3ccccc3[C@@H]2O)cs1 ZINC000898387951 632477578 /nfs/dbraw/zinc/47/75/78/632477578.db2.gz SGQZTTGZYNOBMK-GJZGRUSLSA-N 0 3 270.357 2.368 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)CCCC#N ZINC000813058682 632612454 /nfs/dbraw/zinc/61/24/54/632612454.db2.gz LRQCVKVNIGXXPH-GFCCVEGCSA-N 0 3 263.341 2.086 20 30 CEEDHN CN(CCc1cccc(C#N)c1)C(=O)[C@H]1CCN1C(C)(C)C ZINC000899173065 632728351 /nfs/dbraw/zinc/72/83/51/632728351.db2.gz JKIYDTUGFKXNFU-MRXNPFEDSA-N 0 3 299.418 2.432 20 30 CEEDHN CCC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccco1 ZINC000814885833 632913912 /nfs/dbraw/zinc/91/39/12/632913912.db2.gz KWIRFHLBRQRKDK-TXEJJXNPSA-N 0 3 260.341 2.254 20 30 CEEDHN C#CCN(C(=S)Nc1ccsc1)C1CCN(C)CC1 ZINC000899613874 632921157 /nfs/dbraw/zinc/92/11/57/632921157.db2.gz RSPRXVSRIVOQAT-UHFFFAOYSA-N 0 3 293.461 2.474 20 30 CEEDHN C#C[C@H](NCc1ccc(N(C)C)c(C)c1)[C@H]1CCCO1 ZINC000815094154 632958237 /nfs/dbraw/zinc/95/82/37/632958237.db2.gz ZDJCHCXTXFEGDD-DOTOQJQBSA-N 0 3 272.392 2.331 20 30 CEEDHN C#CCCCC(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000816640942 633455117 /nfs/dbraw/zinc/45/51/17/633455117.db2.gz CBDKZQKHGBLPCA-UHFFFAOYSA-N 0 3 287.407 2.165 20 30 CEEDHN CCN1CCCN(C(=O)c2[nH]c3ccccc3c2C#N)CC1 ZINC000900634821 633788900 /nfs/dbraw/zinc/78/89/00/633788900.db2.gz WVYJTWJFLJWUJJ-UHFFFAOYSA-N 0 3 296.374 2.207 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC000818602797 633956598 /nfs/dbraw/zinc/95/65/98/633956598.db2.gz FSRTXWFGZDSRDS-UHFFFAOYSA-N 0 3 297.402 2.470 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C(C)=C\c1ccc(C)cc1 ZINC000818603172 633956738 /nfs/dbraw/zinc/95/67/38/633956738.db2.gz RTCRXUUYTOSBSQ-PEZBUJJGSA-N 0 3 284.403 2.470 20 30 CEEDHN C=C(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000901220645 633980949 /nfs/dbraw/zinc/98/09/49/633980949.db2.gz AWWUHQYUIMQJLN-UHFFFAOYSA-N 0 3 268.744 2.492 20 30 CEEDHN Cc1occc1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000818969544 634021497 /nfs/dbraw/zinc/02/14/97/634021497.db2.gz GLHIDGNERPLYNM-OAHLLOKOSA-N 0 3 256.305 2.283 20 30 CEEDHN COc1ccc(N2CC[C@H](CNCCC#N)C2)cc1 ZINC000819381049 634163041 /nfs/dbraw/zinc/16/30/41/634163041.db2.gz UQXVMMNDFKMFMX-CYBMUJFWSA-N 0 3 259.353 2.025 20 30 CEEDHN C[C@@H]1CN=C(NC(=O)C(C#N)CCc2ccccc2)S1 ZINC000819784346 634263304 /nfs/dbraw/zinc/26/33/04/634263304.db2.gz ZGTMURCBGANUPU-YPMHNXCESA-N 0 3 287.388 2.366 20 30 CEEDHN Cc1cccc(NCCN[C@H](C)c2cc(C#N)ccn2)n1 ZINC000902877410 634875466 /nfs/dbraw/zinc/87/54/66/634875466.db2.gz QPLDPXUHSJBVKE-CYBMUJFWSA-N 0 3 281.363 2.419 20 30 CEEDHN C[C@@H](NC[C@@]1(O)CCc2ccccc21)c1cc(C#N)ccn1 ZINC000902887190 634879318 /nfs/dbraw/zinc/87/93/18/634879318.db2.gz ZRBCQWKEAJXLKY-ACJLOTCBSA-N 0 3 293.370 2.438 20 30 CEEDHN C[C@@H](NC[C@]1(O)CCc2ccccc21)c1cc(C#N)ccn1 ZINC000902887191 634879657 /nfs/dbraw/zinc/87/96/57/634879657.db2.gz ZRBCQWKEAJXLKY-FZKQIMNGSA-N 0 3 293.370 2.438 20 30 CEEDHN CCO[C@@H]1COC[C@H]1N[C@@H](CC)c1cccc(C#N)c1 ZINC000903014253 634939045 /nfs/dbraw/zinc/93/90/45/634939045.db2.gz PCQAPTWSKXZGNV-ARFHVFGLSA-N 0 3 274.364 2.403 20 30 CEEDHN C[C@@H](NCCC1(CO)CCC1)c1cc(C#N)ccn1 ZINC000903042698 634943034 /nfs/dbraw/zinc/94/30/34/634943034.db2.gz ZCNPAIRUAHATTK-GFCCVEGCSA-N 0 3 259.353 2.157 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1sccc1C(F)F ZINC000823188084 635091316 /nfs/dbraw/zinc/09/13/16/635091316.db2.gz MTZUSBVYSIHADE-UHFFFAOYSA-N 0 3 286.347 2.371 20 30 CEEDHN C[C@H]([NH2+]CCC(C)(C)C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824585771 635457647 /nfs/dbraw/zinc/45/76/47/635457647.db2.gz SYRQUNPAJZUHGF-NSHDSACASA-N 0 3 284.367 2.457 20 30 CEEDHN C[C@H]([NH2+]CCC(C)(C)C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824585771 635457651 /nfs/dbraw/zinc/45/76/51/635457651.db2.gz SYRQUNPAJZUHGF-NSHDSACASA-N 0 3 284.367 2.457 20 30 CEEDHN Cc1ccc(C#N)cc1C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000824658809 635471905 /nfs/dbraw/zinc/47/19/05/635471905.db2.gz QOGMUGRDYBFONO-AWEZNQCLSA-N 0 3 285.391 2.469 20 30 CEEDHN C=CCC1(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCC1 ZINC000825517551 635651917 /nfs/dbraw/zinc/65/19/17/635651917.db2.gz XCBCKRWPQPWEPQ-CABCVRRESA-N 0 3 292.423 2.102 20 30 CEEDHN C=CC(C)(C)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000904530242 635660084 /nfs/dbraw/zinc/66/00/84/635660084.db2.gz IMBNTCLNGZPMTB-UHFFFAOYSA-N 0 3 275.352 2.255 20 30 CEEDHN CN1CC[C@H]1CN=Cc1cc2ccccc2[nH]c1=O ZINC000905001566 635772787 /nfs/dbraw/zinc/77/27/87/635772787.db2.gz BETRLRRYVYKNMU-LWLPBDFMSA-N 0 3 255.321 2.063 20 30 CEEDHN COc1cc(/C=C2\C(=O)c3ncnn3C2C)ccc1C ZINC000905085034 635799212 /nfs/dbraw/zinc/79/92/12/635799212.db2.gz LNINDVZYQBPRCY-GWHHBTOMSA-N 0 3 269.304 2.436 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000826867088 635865988 /nfs/dbraw/zinc/86/59/88/635865988.db2.gz GVNGETALCGZWBQ-IAGOWNOFSA-N 0 3 299.418 2.044 20 30 CEEDHN CC(C)(C)OC(=O)N1CCC(CN2CC(CC#N)C2)CC1 ZINC000826990640 636179804 /nfs/dbraw/zinc/17/98/04/636179804.db2.gz KRGZJDZTJSMBHI-UHFFFAOYSA-N 0 3 293.411 2.479 20 30 CEEDHN C#Cc1cccc(CNC(=O)N(CCC)[C@@H]2CCN(C)C2)c1 ZINC000827149742 636237559 /nfs/dbraw/zinc/23/75/59/636237559.db2.gz UWERDJRIBXYLDR-QGZVFWFLSA-N 0 3 299.418 2.294 20 30 CEEDHN C=CCCCCN(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000827807580 636429936 /nfs/dbraw/zinc/42/99/36/636429936.db2.gz CYZCHMHZSHUQNU-LLVKDONJSA-N 0 3 278.318 2.438 20 30 CEEDHN C#Cc1cnc(N[C@@H]2CCN(C)[C@H]2c2ccccc2)nc1 ZINC000827821798 636434821 /nfs/dbraw/zinc/43/48/21/636434821.db2.gz WICMDUQQCAJQRE-CVEARBPZSA-N 0 3 278.359 2.315 20 30 CEEDHN C#C[C@H](NC[C@@H](Cc1ccccc1)OC)[C@@H]1CCCO1 ZINC000828954449 636734693 /nfs/dbraw/zinc/73/46/93/636734693.db2.gz SYYCPHKGMXBSEQ-IKGGRYGDSA-N 0 3 273.376 2.015 20 30 CEEDHN C#C[C@H]1CC[C@H](NC(=O)N(CCN(C)C)CC(C)C)CC1 ZINC000876444903 650281287 /nfs/dbraw/zinc/28/12/87/650281287.db2.gz MXSXTVJQTQGSDQ-WKILWMFISA-N 0 3 293.455 2.408 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccc3[nH]ccc3n2)CC1 ZINC000906597158 636804582 /nfs/dbraw/zinc/80/45/82/636804582.db2.gz JFLRSLREKNDOJK-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)c1ccsc1C#N ZINC000906645461 636810452 /nfs/dbraw/zinc/81/04/52/636810452.db2.gz VKSHBRBLMDTFFW-LLVKDONJSA-N 0 3 277.393 2.224 20 30 CEEDHN CN(CC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)CC(C)(C)C ZINC000829480375 636862261 /nfs/dbraw/zinc/86/22/61/636862261.db2.gz LJTUTIVGPOQJCG-MRXNPFEDSA-N 0 3 299.418 2.120 20 30 CEEDHN Cc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc(C)c1C#N ZINC000906970927 636905260 /nfs/dbraw/zinc/90/52/60/636905260.db2.gz GSTWENCJLXHBQA-GUYCJALGSA-N 0 3 297.402 2.388 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)N(CC)CC(=C)C)C1 ZINC000829769328 636925469 /nfs/dbraw/zinc/92/54/69/636925469.db2.gz SFKQCMROIQRCKV-OAHLLOKOSA-N 0 3 262.397 2.146 20 30 CEEDHN C=C(Cl)CNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000830043048 636974622 /nfs/dbraw/zinc/97/46/22/636974622.db2.gz NUWALVXQBLHUGP-SNVBAGLBSA-N 0 3 288.178 2.302 20 30 CEEDHN C#CC1CCN([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000830311236 637032720 /nfs/dbraw/zinc/03/27/20/637032720.db2.gz ILEBRTSSFAHJND-ZDUSSCGKSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CC1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000830316451 637033885 /nfs/dbraw/zinc/03/38/85/637033885.db2.gz SUJMDMGUECZHNE-OAHLLOKOSA-N 0 3 265.303 2.343 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@]1(C)CCC[C@H]1CC ZINC000908437988 637345139 /nfs/dbraw/zinc/34/51/39/637345139.db2.gz WKKSSVURAQIIRU-GDBMZVCRSA-N 0 3 264.413 2.274 20 30 CEEDHN CCCCCCCCCNC(=O)c1c(CN)cnn1C ZINC000876563256 650332081 /nfs/dbraw/zinc/33/20/81/650332081.db2.gz BGGHWRKYBNOAKL-UHFFFAOYSA-N 0 3 280.416 2.359 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](C)CCCCCC ZINC000831678657 637408912 /nfs/dbraw/zinc/40/89/12/637408912.db2.gz DPAUUJDQPCYXLT-ZNMIVQPWSA-N 0 3 282.428 2.395 20 30 CEEDHN C#CCCCCCCN1CCN(CCOCC)CC1 ZINC000876565275 650333306 /nfs/dbraw/zinc/33/33/06/650333306.db2.gz TWKVMTXUYAEKLX-UHFFFAOYSA-N 0 3 266.429 2.224 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc(OC)cc1 ZINC000876576878 650341239 /nfs/dbraw/zinc/34/12/39/650341239.db2.gz SWARTBCPKBSHHW-MFKMUULPSA-N 0 3 282.771 2.342 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(OCC)c1 ZINC000876584996 650346336 /nfs/dbraw/zinc/34/63/36/650346336.db2.gz VQERXFTYCWTAHM-CYBMUJFWSA-N 0 3 282.771 2.171 20 30 CEEDHN CO[C@@H]1CCCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000876609933 650358175 /nfs/dbraw/zinc/35/81/75/650358175.db2.gz UDTFJLUSZYHUBX-OAHLLOKOSA-N 0 3 273.380 2.235 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](OCCC)CC1 ZINC000876651802 650375969 /nfs/dbraw/zinc/37/59/69/650375969.db2.gz GLMONIJIRXPESU-CHWSQXEVSA-N 0 3 288.819 2.264 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000876660611 650384088 /nfs/dbraw/zinc/38/40/88/650384088.db2.gz WAECQQPZLGZZPA-CMPLNLGQSA-N 0 3 284.791 2.111 20 30 CEEDHN COCCN(C)N=C/C=C\c1ccc(N(C)C)cc1 ZINC000834977542 638008262 /nfs/dbraw/zinc/00/82/62/638008262.db2.gz NBPRLLRZRBCBPX-HSTLZJKPSA-N 0 3 261.369 2.330 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)CCSCC ZINC000876698291 650404882 /nfs/dbraw/zinc/40/48/82/650404882.db2.gz HGUDLJGJXXHISK-WDEREUQCSA-N 0 3 278.849 2.446 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[C@H]1SCC ZINC000876700890 650405539 /nfs/dbraw/zinc/40/55/39/650405539.db2.gz ZOVKAOPEBPESEM-GARJFASQSA-N 0 3 276.833 2.247 20 30 CEEDHN C#CCO[C@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000835456217 638263148 /nfs/dbraw/zinc/26/31/48/638263148.db2.gz SFPXVMMASWJXKW-KOLCDFICSA-N 0 3 296.248 2.315 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000876728854 650411812 /nfs/dbraw/zinc/41/18/12/650411812.db2.gz XYOOKYSLOKNVHD-LBPRGKRZSA-N 0 3 281.787 2.469 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCNc1ccccc1 ZINC000876739443 650414555 /nfs/dbraw/zinc/41/45/55/650414555.db2.gz HRFTWIZQWLTGMU-ZDUSSCGKSA-N 0 3 281.787 2.075 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@H]3CCCC34CC4)CCC[C@@H]12 ZINC000991355535 638433804 /nfs/dbraw/zinc/43/38/04/638433804.db2.gz BRYUXBVTBUJEFE-IIDMSEBBSA-N 0 3 286.419 2.313 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCCc1ccc(OC)cc1 ZINC000911930794 638488267 /nfs/dbraw/zinc/48/82/67/638488267.db2.gz FMQIRXPZVNLUDN-OAHLLOKOSA-N 0 3 276.380 2.038 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1nc(C(C)C)cs1 ZINC000876776199 650428287 /nfs/dbraw/zinc/42/82/87/650428287.db2.gz LURDKGAHLWNCHP-SECBINFHSA-N 0 3 287.816 2.353 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000912068196 638546657 /nfs/dbraw/zinc/54/66/57/638546657.db2.gz LQLJMJPBZKJKEZ-JKSUJKDBSA-N 0 3 272.392 2.344 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OC)c(F)c1 ZINC000912239582 638612054 /nfs/dbraw/zinc/61/20/54/638612054.db2.gz VIRFSNWBIKSVAF-LBPRGKRZSA-N 0 3 266.316 2.456 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000912244476 638623097 /nfs/dbraw/zinc/62/30/97/638623097.db2.gz PGIPOWCJJTXHFQ-SECBINFHSA-N 0 3 282.413 2.458 20 30 CEEDHN C#C[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000836407696 638624743 /nfs/dbraw/zinc/62/47/43/638624743.db2.gz RCRJFUKTLJRXIW-HZPDHXFCSA-N 0 3 299.418 2.172 20 30 CEEDHN CC(C)(C(=O)N1CCC[C@@H](CC#N)C1)N1CCCCC1 ZINC000912297417 638634512 /nfs/dbraw/zinc/63/45/12/638634512.db2.gz PXHHIBWKASCVBY-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN N#Cc1cc(N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)ccn1 ZINC000912303741 638642355 /nfs/dbraw/zinc/64/23/55/638642355.db2.gz JRHNRTOUVAPEOI-ROUUACIJSA-N 0 3 290.370 2.416 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H](CCC)C1 ZINC000836488879 638648021 /nfs/dbraw/zinc/64/80/21/638648021.db2.gz QMAZFQGRYVKHPH-HNNXBMFYSA-N 0 3 279.428 2.163 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1C(=O)NCC ZINC000912322465 638650541 /nfs/dbraw/zinc/65/05/41/638650541.db2.gz JUTMXBXBHAFAAL-ZDUSSCGKSA-N 0 3 289.379 2.058 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000876872467 650467465 /nfs/dbraw/zinc/46/74/65/650467465.db2.gz DMEDTPHZNDLNFO-AWEZNQCLSA-N 0 3 295.814 2.181 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC000837410340 639218882 /nfs/dbraw/zinc/21/88/82/639218882.db2.gz PFLPISJDZZDKJF-CYBMUJFWSA-N 0 3 250.386 2.027 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1sccc1C ZINC000876903937 650479684 /nfs/dbraw/zinc/47/96/84/650479684.db2.gz PUCBWNTYUXUSGU-SNVBAGLBSA-N 0 3 272.801 2.185 20 30 CEEDHN CN(CCOC(=O)c1cc(C#N)cn1C)Cc1ccccc1 ZINC000837564709 639285073 /nfs/dbraw/zinc/28/50/73/639285073.db2.gz LCDLHAJZSYRQLM-UHFFFAOYSA-N 0 3 297.358 2.186 20 30 CEEDHN CCN(CC)c1ccc(/C=[NH+]/CCOC)c([O-])c1 ZINC000060802300 639652629 /nfs/dbraw/zinc/65/26/29/639652629.db2.gz XCKBVRRLUHZLFP-RVDMUPIBSA-N 0 3 250.342 2.304 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCC)c(C)n1 ZINC000876976059 650515646 /nfs/dbraw/zinc/51/56/46/650515646.db2.gz MOPOIDJZSDTIKN-JTQLQIEISA-N 0 3 283.759 2.197 20 30 CEEDHN OC[C@@H]1CCCN1N=Cc1ccccc1N1CCCCC1 ZINC000841662648 639829517 /nfs/dbraw/zinc/82/95/17/639829517.db2.gz NUQTXRGIOWDAFK-INIZCTEOSA-N 0 3 287.407 2.468 20 30 CEEDHN C=C(Br)CNC1CC(n2cccn2)C1 ZINC000877020530 650533830 /nfs/dbraw/zinc/53/38/30/650533830.db2.gz WSFPOAZRIUISSY-UHFFFAOYSA-N 0 3 256.147 2.085 20 30 CEEDHN Cc1ccc(C)n1C1CCN(C[C@H](O)CC#N)CC1 ZINC000929475632 639949309 /nfs/dbraw/zinc/94/93/09/639949309.db2.gz VKRYGCRPUXEDLJ-OAHLLOKOSA-N 0 3 261.369 2.016 20 30 CEEDHN CO[C@H](CC(C)C)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000842284545 639997003 /nfs/dbraw/zinc/99/70/03/639997003.db2.gz LUZMJFGXKGKCOC-TZMCWYRMSA-N 0 3 275.352 2.331 20 30 CEEDHN N#CC(C(=O)Cc1cccc(C2CC2)c1)C(=O)NC1CC1 ZINC000842288531 639998879 /nfs/dbraw/zinc/99/88/79/639998879.db2.gz HCUXSXPDVAYAFN-OAHLLOKOSA-N 0 3 282.343 2.094 20 30 CEEDHN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C[C@H](O)CC#N ZINC000929676400 640016325 /nfs/dbraw/zinc/01/63/25/640016325.db2.gz PALYOZDEOWVNRD-CORIIIEPSA-N 0 3 262.328 2.278 20 30 CEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3nocc3C)CCC[C@@H]12 ZINC000992406895 640042420 /nfs/dbraw/zinc/04/24/20/640042420.db2.gz RTIBZACHYLKXMO-CZUORRHYSA-N 0 3 289.379 2.286 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cncc(F)c1 ZINC000151599613 640044247 /nfs/dbraw/zinc/04/42/47/640044247.db2.gz UKTDRHMBHHYVHH-ZDUSSCGKSA-N 0 3 283.262 2.182 20 30 CEEDHN C[C@@H](CO)N(C)N=Cc1ccc(N2CCCCC2)cc1 ZINC000842545050 640099757 /nfs/dbraw/zinc/09/97/57/640099757.db2.gz NRIBDCGHYLUAAT-AWEZNQCLSA-N 0 3 275.396 2.323 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3cccn3CC)CCC[C@@H]12 ZINC000992481707 640118172 /nfs/dbraw/zinc/11/81/72/640118172.db2.gz BWJNVKSOQUECPF-WBVHZDCISA-N 0 3 287.407 2.421 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)CCC[C@@H]12 ZINC000992551514 640173033 /nfs/dbraw/zinc/17/30/33/640173033.db2.gz SJXXIZKZYJOEAL-AULAEIDCSA-N 0 3 298.430 2.025 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc[nH]2)[C@H]1C ZINC000993009855 640401191 /nfs/dbraw/zinc/40/11/91/640401191.db2.gz LDLYGBHLHAVQKW-CHWSQXEVSA-N 0 3 261.369 2.174 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2cncs2)[C@H]1C ZINC000993120709 640459861 /nfs/dbraw/zinc/45/98/61/640459861.db2.gz XEZVHRWNRDPFQZ-NEPJUHHUSA-N 0 3 279.409 2.302 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccnc(F)c2)[C@H]1C ZINC000993126751 640466221 /nfs/dbraw/zinc/46/62/21/640466221.db2.gz KXNPZLWHTPKIHD-OCCSQVGLSA-N 0 3 291.370 2.380 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCCC12CC2 ZINC000877118120 650580942 /nfs/dbraw/zinc/58/09/42/650580942.db2.gz NGAMLXXRHRXQFP-GHMZBOCLSA-N 0 3 256.777 2.153 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000877122051 650582358 /nfs/dbraw/zinc/58/23/58/650582358.db2.gz GLBPFSGOFHJSEM-MCIONIFRSA-N 0 3 294.782 2.103 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(CC)n2)[C@H]1C ZINC000993446830 640648406 /nfs/dbraw/zinc/64/84/06/640648406.db2.gz UXNBNMKRPDIJPU-GDBMZVCRSA-N 0 3 299.418 2.250 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001015670795 640650534 /nfs/dbraw/zinc/65/05/34/640650534.db2.gz PXMJYDVPYUWIAS-KBPBESRZSA-N 0 3 262.397 2.027 20 30 CEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2ocnc2CC)C1 ZINC001015678019 640668014 /nfs/dbraw/zinc/66/80/14/640668014.db2.gz ZOTVUHDZLCXWJT-LBPRGKRZSA-N 0 3 277.368 2.007 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@@H]1C ZINC000993795476 640681464 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C#C[C@@H](CC)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000854070074 643976688 /nfs/dbraw/zinc/97/66/88/643976688.db2.gz ITPMNLNTACWAMD-INIZCTEOSA-N 0 3 287.407 2.172 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1c(C)cccc1C ZINC000838624177 643980690 /nfs/dbraw/zinc/98/06/90/643980690.db2.gz KQAPPNCDMWPZKT-UHFFFAOYSA-N 0 3 273.380 2.380 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1cccc(SC)c1 ZINC000838624383 643980783 /nfs/dbraw/zinc/98/07/83/643980783.db2.gz VLSYAOMWBACXSL-UHFFFAOYSA-N 0 3 291.420 2.485 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCCCC[C@@H]1CC ZINC000838622347 643980904 /nfs/dbraw/zinc/98/09/04/643980904.db2.gz FUWLPBDKAQUBBI-HNNXBMFYSA-N 0 3 279.428 2.306 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H](CCC)C1CCC1 ZINC000838622223 643980998 /nfs/dbraw/zinc/98/09/98/643980998.db2.gz QHYWETWNUWRMBZ-OAHLLOKOSA-N 0 3 279.428 2.210 20 30 CEEDHN C=CCONC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000838702765 643995160 /nfs/dbraw/zinc/99/51/60/643995160.db2.gz CILFSYUVXPTIIJ-DZGCQCFKSA-N 0 3 289.379 2.239 20 30 CEEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H](C)C#N ZINC000854512531 644076626 /nfs/dbraw/zinc/07/66/26/644076626.db2.gz AJIGIBTUVKFLSW-JGGQBBKZSA-N 0 3 283.375 2.289 20 30 CEEDHN CC(C)C#CC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000854983567 644222413 /nfs/dbraw/zinc/22/24/13/644222413.db2.gz LTGNNIUJNFWDGW-ZWKOTPCHSA-N 0 3 296.414 2.379 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cncc3c2CCCC3)CC1 ZINC000855200839 644273426 /nfs/dbraw/zinc/27/34/26/644273426.db2.gz GCCVIBAPTVXGQL-UHFFFAOYSA-N 0 3 297.402 2.244 20 30 CEEDHN CCN(C(=O)c1cc(C#N)ccc1F)[C@H]1CCN(CC)C1 ZINC000855487870 644369500 /nfs/dbraw/zinc/36/95/00/644369500.db2.gz ZSXVODFYLXEQFG-ZDUSSCGKSA-N 0 3 289.354 2.254 20 30 CEEDHN C#CCC1(C(=O)N2CCN[C@@H](C(C)C)C2)CCCCC1 ZINC000856489976 644685847 /nfs/dbraw/zinc/68/58/47/644685847.db2.gz SJSCVWOPZKOYOG-OAHLLOKOSA-N 0 3 276.424 2.417 20 30 CEEDHN CCN1CCC(=NNc2nc(=O)c3ccccc3[nH]2)[C@@H](C)C1 ZINC000757584749 644821006 /nfs/dbraw/zinc/82/10/06/644821006.db2.gz UIUMKGLXBKEKKN-NSHDSACASA-N 0 3 299.378 2.465 20 30 CEEDHN C[C@H](C#N)CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000757905249 644855238 /nfs/dbraw/zinc/85/52/38/644855238.db2.gz FLLVPFYMMXUVCL-GFCCVEGCSA-N 0 3 288.351 2.313 20 30 CEEDHN Cc1cc(Cl)nc(CNC[C@H](O)CC(C)(C)C#N)c1 ZINC000857237325 644867155 /nfs/dbraw/zinc/86/71/55/644867155.db2.gz SQTBYWCWHZNQDG-GFCCVEGCSA-N 0 3 281.787 2.434 20 30 CEEDHN C=CCN(CC=C)C[C@@H](O)CC1(O)CCCCC1 ZINC000877958620 650958272 /nfs/dbraw/zinc/95/82/72/650958272.db2.gz NZMUQDRGGZPMID-AWEZNQCLSA-N 0 3 253.386 2.107 20 30 CEEDHN C=C(C)CNC(=S)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000758276215 644913020 /nfs/dbraw/zinc/91/30/20/644913020.db2.gz ZGTSBUZEODFHEH-LSDHHAIUSA-N 0 3 289.448 2.472 20 30 CEEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](CO)CC(F)F)cc1 ZINC000758614096 644945247 /nfs/dbraw/zinc/94/52/47/644945247.db2.gz HKKQFEXDOFAPGS-CMPLNLGQSA-N 0 3 284.306 2.083 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cnc(F)c(C)c2)CC1 ZINC000857709586 644953321 /nfs/dbraw/zinc/95/33/21/644953321.db2.gz AHEDLDBDACTVBO-UHFFFAOYSA-N 0 3 291.370 2.299 20 30 CEEDHN COCCN(CC[C@@H](O)C(C)C)Cc1ccc(C#N)cc1 ZINC000878010271 650974087 /nfs/dbraw/zinc/97/40/87/650974087.db2.gz IHHATPAXEVMROV-QGZVFWFLSA-N 0 3 290.407 2.414 20 30 CEEDHN C=C(C)CN1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759905865 645090696 /nfs/dbraw/zinc/09/06/96/645090696.db2.gz HKTUHEWGVWKVCZ-CYBMUJFWSA-N 0 3 271.364 2.096 20 30 CEEDHN C#CC[C@H](COC)NCc1scnc1C1CC1 ZINC000858335545 645122930 /nfs/dbraw/zinc/12/29/30/645122930.db2.gz XUOZPTBDKVUDKU-LLVKDONJSA-N 0 3 250.367 2.148 20 30 CEEDHN Cc1ccc(OCC(=O)C(C#N)c2ccncn2)c(C)c1 ZINC000760344033 645142946 /nfs/dbraw/zinc/14/29/46/645142946.db2.gz FPYAXHGESNRFQE-CYBMUJFWSA-N 0 3 281.315 2.349 20 30 CEEDHN CC(C)CCO[C@@H](C)C(=O)C(C#N)c1ccncn1 ZINC000760342930 645143280 /nfs/dbraw/zinc/14/32/80/645143280.db2.gz ZILFBULHPMSCIX-NWDGAFQWSA-N 0 3 261.325 2.104 20 30 CEEDHN CC[C@H](OC1CCCC1)C(=O)C(C#N)c1ccncn1 ZINC000760342969 645143347 /nfs/dbraw/zinc/14/33/47/645143347.db2.gz AQGYWEXQIULNIO-JSGCOSHPSA-N 0 3 273.336 2.391 20 30 CEEDHN CCN(C)[C@H](C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000760345744 645144316 /nfs/dbraw/zinc/14/43/16/645144316.db2.gz NEHJQHUZFPEFMM-HOCLYGCPSA-N 0 3 294.358 2.346 20 30 CEEDHN C#CCOCCN(C)CCOc1ccc(Cl)cc1 ZINC000761107474 645243126 /nfs/dbraw/zinc/24/31/26/645243126.db2.gz FOZGKNZRJNXWTC-UHFFFAOYSA-N 0 3 267.756 2.300 20 30 CEEDHN CC(C)(C(=O)N[C@@H]1CCN(C2CC2)C1)c1ccc(C#N)cc1 ZINC000858766102 645254608 /nfs/dbraw/zinc/25/46/08/645254608.db2.gz JMILWROPBSCHSB-OAHLLOKOSA-N 0 3 297.402 2.189 20 30 CEEDHN Cc1ccccc1[C@H](C)CC(=O)C(C#N)C(=O)NC1CC1 ZINC000116592733 645395532 /nfs/dbraw/zinc/39/55/32/645395532.db2.gz BMIWMBGJIVUWMN-IUODEOHRSA-N 0 3 284.359 2.476 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)N[C@H](C)c1ccccc1 ZINC000859320236 645457448 /nfs/dbraw/zinc/45/74/48/645457448.db2.gz WFMJTMWCIVRMHM-CZUORRHYSA-N 0 3 258.365 2.255 20 30 CEEDHN CCN(CCCC#N)CCNC(=O)OC(C)(C)C ZINC000859532235 645510389 /nfs/dbraw/zinc/51/03/89/645510389.db2.gz VRTUURHKKORRRE-UHFFFAOYSA-N 0 3 255.362 2.137 20 30 CEEDHN C#CCOCCN[C@@H](C)c1ccc(OC)cc1OC ZINC000859631452 645546344 /nfs/dbraw/zinc/54/63/44/645546344.db2.gz SEMHKOJXVVCWJK-LBPRGKRZSA-N 0 3 263.337 2.004 20 30 CEEDHN C=CC(C)(C)CC(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000878185866 651028753 /nfs/dbraw/zinc/02/87/53/651028753.db2.gz OCJYAOWMWPWIDD-OAHLLOKOSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCN(C)C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000862331725 646401957 /nfs/dbraw/zinc/40/19/57/646401957.db2.gz NKKRHDHMFQCAKL-GFCCVEGCSA-N 0 3 284.400 2.476 20 30 CEEDHN C#CC[C@H]1CCN(Cc2cnc([C@@H](C)O)s2)C1 ZINC000862445173 646463144 /nfs/dbraw/zinc/46/31/44/646463144.db2.gz NLWANGFASAUTTM-MNOVXSKESA-N 0 3 250.367 2.042 20 30 CEEDHN CC(C)(O)CNN=C1CCCC[C@@H]1N1CCCCC1 ZINC000863137503 646652003 /nfs/dbraw/zinc/65/20/03/646652003.db2.gz ALXLCHZCZFGCKV-AWEZNQCLSA-N 0 3 267.417 2.131 20 30 CEEDHN Cc1cc(NN=Cc2c(C3CCC3)cnn2C)ccn1 ZINC000863160641 646658833 /nfs/dbraw/zinc/65/88/33/646658833.db2.gz MWCIFRDFAZKIEJ-UHFFFAOYSA-N 0 3 269.352 2.259 20 30 CEEDHN COCC(COC)NN=C1CCCC[C@H]1N1CCCCC1 ZINC000863195589 646669804 /nfs/dbraw/zinc/66/98/04/646669804.db2.gz FULNLOZCYOYDNM-MRXNPFEDSA-N 0 3 297.443 2.022 20 30 CEEDHN C[C@H](CC(C)(C)C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000773971738 646791374 /nfs/dbraw/zinc/79/13/74/646791374.db2.gz XPGUGCFYJPBEHF-NEPJUHHUSA-N 0 3 264.369 2.390 20 30 CEEDHN C=CCCO[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000119599730 646791837 /nfs/dbraw/zinc/79/18/37/646791837.db2.gz SFBXGRLWGLTVRQ-TZMCWYRMSA-N 0 3 286.331 2.315 20 30 CEEDHN Cc1ccc(CC(=O)C(C#N)C(=O)NCc2ccccc2)o1 ZINC000775227200 646931710 /nfs/dbraw/zinc/93/17/10/646931710.db2.gz MMDYVPZMPKGVTN-OAHLLOKOSA-N 0 3 296.326 2.156 20 30 CEEDHN C#CC[C@@H](NCCn1ccccc1=O)c1ccccc1 ZINC000775400818 646950431 /nfs/dbraw/zinc/95/04/31/646950431.db2.gz NLRRMNASVBCEAS-MRXNPFEDSA-N 0 3 266.344 2.203 20 30 CEEDHN C[C@@H](CNC(=O)C1(C#N)CC2(CC2)C1)N1CCCCC1 ZINC000864955061 647139523 /nfs/dbraw/zinc/13/95/23/647139523.db2.gz CHXUPAMKPAQRQU-ZDUSSCGKSA-N 0 3 275.396 2.061 20 30 CEEDHN COC[C@@H](C)NN=C1CCCC[C@@H]1N1CCCCC1 ZINC000777890449 647186892 /nfs/dbraw/zinc/18/68/92/647186892.db2.gz CAARXMCZOMIILS-HIFRSBDPSA-N 0 3 267.417 2.395 20 30 CEEDHN Cn1cnc(CNC2CCN(c3ccccc3C#N)CC2)c1 ZINC000865694453 647427556 /nfs/dbraw/zinc/42/75/56/647427556.db2.gz FEVCPSITIWIBMM-UHFFFAOYSA-N 0 3 295.390 2.050 20 30 CEEDHN CN1Cc2ccccc2[C@H]1CNCc1ccc(C#N)o1 ZINC000865806732 647471295 /nfs/dbraw/zinc/47/12/95/647471295.db2.gz TYDXLNACFKDGEB-MRXNPFEDSA-N 0 3 267.332 2.428 20 30 CEEDHN Cc1nocc1CN[C@H]1Cc2ccc(C#N)cc2C1 ZINC000865847002 647491077 /nfs/dbraw/zinc/49/10/77/647491077.db2.gz CTRDKUYXAWHELY-HNNXBMFYSA-N 0 3 253.305 2.112 20 30 CEEDHN C#CCCCCCC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000781185737 647505619 /nfs/dbraw/zinc/50/56/19/647505619.db2.gz VHSIXUBULYYFCB-AWEZNQCLSA-N 0 3 262.397 2.337 20 30 CEEDHN C#Cc1ccc(CN[C@@H]2CCCn3nccc32)cc1 ZINC000865871672 647514580 /nfs/dbraw/zinc/51/45/80/647514580.db2.gz KLSNQFJCGZKPOW-OAHLLOKOSA-N 0 3 251.333 2.489 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2cc3c([nH]c2=O)CCCC3)C1 ZINC000866642996 647853075 /nfs/dbraw/zinc/85/30/75/647853075.db2.gz QKKHNPURWKQBNT-RISCZKNCSA-N 0 3 271.364 2.448 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000923604336 647955874 /nfs/dbraw/zinc/95/58/74/647955874.db2.gz FVTOWCFQKWIAQJ-STQMWFEESA-N 0 3 267.417 2.371 20 30 CEEDHN COC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000786311853 647999591 /nfs/dbraw/zinc/99/95/91/647999591.db2.gz MZVXHAKCRZJSEI-LBPRGKRZSA-N 0 3 274.320 2.149 20 30 CEEDHN N#CC(C(=O)NCc1ccc(F)c(F)c1)C(=O)C1CCC1 ZINC000786566296 648027759 /nfs/dbraw/zinc/02/77/59/648027759.db2.gz YEOHJTHZSKSHDC-LLVKDONJSA-N 0 3 292.285 2.090 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC1([C@@H]2CCCCO2)CCC1 ZINC000868047800 648033896 /nfs/dbraw/zinc/03/38/96/648033896.db2.gz RBIVRPSLNUUTAX-KGLIPLIRSA-N 0 3 293.411 2.006 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCCC(C)(C)OC)CC1 ZINC000868222595 648076744 /nfs/dbraw/zinc/07/67/44/648076744.db2.gz ZRSZYKAZZLNCRZ-UHFFFAOYSA-N 0 3 297.443 2.141 20 30 CEEDHN C[C@H]1CN(C(=O)c2coc(C#N)c2)CCN(C2CCC2)C1 ZINC000868529519 648158860 /nfs/dbraw/zinc/15/88/60/648158860.db2.gz QTYHUOHOEIIPTQ-GFCCVEGCSA-N 0 3 287.363 2.098 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C/CCc1ccccc1 ZINC000868582032 648181790 /nfs/dbraw/zinc/18/17/90/648181790.db2.gz QIPKZZMRKNDCMN-MDWZMJQESA-N 0 3 284.403 2.247 20 30 CEEDHN C=CCN(C(C)C)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000788599929 648206424 /nfs/dbraw/zinc/20/64/24/648206424.db2.gz PBQGJTLMDSIIGY-UHFFFAOYSA-N 0 3 296.436 2.333 20 30 CEEDHN CCN(C(=O)c1ccc2c(C#N)c[nH]c2c1)[C@@H]1CCN(C)C1 ZINC000869237841 648383095 /nfs/dbraw/zinc/38/30/95/648383095.db2.gz BVZYRGOPAQPFPB-CQSZACIVSA-N 0 3 296.374 2.206 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)c2sccc2CC#N)C1 ZINC000869285040 648400506 /nfs/dbraw/zinc/40/05/06/648400506.db2.gz MGQFIJJLHUWIJA-GFCCVEGCSA-N 0 3 277.393 2.028 20 30 CEEDHN COC1(CC(=O)C(C#N)C(=O)Nc2ccccc2)CCC1 ZINC000791771029 648564793 /nfs/dbraw/zinc/56/47/93/648564793.db2.gz IANWBDRTGTTZMI-CYBMUJFWSA-N 0 3 286.331 2.293 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000870135424 648710962 /nfs/dbraw/zinc/71/09/62/648710962.db2.gz ZGGWHTYKPRIZFT-AAVRWANBSA-N 0 3 294.395 2.205 20 30 CEEDHN CC(COC(=O)C(C)(C)c1ccc(C#N)cc1)[N+](=O)[O-] ZINC000870376289 648788613 /nfs/dbraw/zinc/78/86/13/648788613.db2.gz FVLQQSOVHLHNQM-JTQLQIEISA-N 0 3 276.292 2.044 20 30 CEEDHN C#CCCN[C@@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC000871872405 649204244 /nfs/dbraw/zinc/20/42/44/649204244.db2.gz LCSPPLPFPVCFBH-HNNXBMFYSA-N 0 3 258.365 2.349 20 30 CEEDHN C[C@@H](Nc1cc2n(n1)CCN(C)C2)c1cccc(C#N)c1 ZINC000871926034 649218024 /nfs/dbraw/zinc/21/80/24/649218024.db2.gz DKKAHQHDFTYUJW-GFCCVEGCSA-N 0 3 281.363 2.373 20 30 CEEDHN C=C[C@H](CO)N[C@H](COC(C)C)Cc1ccc(F)cc1 ZINC000872088467 649269693 /nfs/dbraw/zinc/26/96/93/649269693.db2.gz OYEHMQQFNNDCQR-CVEARBPZSA-N 0 3 281.371 2.298 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC2(CCNC2=O)CC1 ZINC000872096145 649271766 /nfs/dbraw/zinc/27/17/66/649271766.db2.gz XYVZVIARIBICNE-CYBMUJFWSA-N 0 3 283.375 2.221 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC(F)(F)CC1 ZINC000872264686 649333252 /nfs/dbraw/zinc/33/32/52/649333252.db2.gz YHLFXMYQRZYZIZ-VIFPVBQESA-N 0 3 266.719 2.104 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC[C@H](OC3CCC3)CC2)C1=O ZINC000872281684 649342906 /nfs/dbraw/zinc/34/29/06/649342906.db2.gz XRJKROPJUXXIRD-JKSUJKDBSA-N 0 3 292.423 2.197 20 30 CEEDHN C[C@H]1C(N=Nc2ccnc3ccccc23)CCN1C ZINC000872350425 649362846 /nfs/dbraw/zinc/36/28/46/649362846.db2.gz RXCZLFZPNCTKTB-NSHDSACASA-N 0 3 254.337 2.149 20 30 CEEDHN C#C[C@H]1CC[C@H](NCc2cn(Cc3cccnc3)nn2)CC1 ZINC000873198264 649585666 /nfs/dbraw/zinc/58/56/66/649585666.db2.gz BRFXAVUPCCWBJP-KOMQPUFPSA-N 0 3 295.390 2.003 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CCC(CCC(C)C)CC1 ZINC000124839741 649748829 /nfs/dbraw/zinc/74/88/29/649748829.db2.gz XKJFURREPGJMAU-CQSZACIVSA-N 0 3 264.413 2.273 20 30 CEEDHN Cn1ccnc1[C@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000878518303 651118919 /nfs/dbraw/zinc/11/89/19/651118919.db2.gz KFDADAYTLZUARM-ZDUSSCGKSA-N 0 3 258.369 2.293 20 30 CEEDHN COC(=O)C[C@@](C)(NCC#Cc1ccc(F)cc1)C1CC1 ZINC000879442183 651304642 /nfs/dbraw/zinc/30/46/42/651304642.db2.gz NRQOTCGVGHMBNT-QGZVFWFLSA-N 0 3 289.350 2.499 20 30 CEEDHN COc1cccc([C@H]2CN(CC3(CC#N)CC3)CCN2)c1 ZINC000879523533 651316201 /nfs/dbraw/zinc/31/62/01/651316201.db2.gz ZYLNBGYEQYASNR-MRXNPFEDSA-N 0 3 285.391 2.335 20 30 CEEDHN CC1(C)C[C@H](O)CN(CCOc2ccc(C#N)cc2)C1 ZINC000879617436 651330573 /nfs/dbraw/zinc/33/05/73/651330573.db2.gz OPXDVIPJYIFKKP-AWEZNQCLSA-N 0 3 274.364 2.030 20 30 CEEDHN Cc1ccc(CN2C[C@@H](O)CC(C)(C)C2)cc1C#N ZINC000879625120 651332420 /nfs/dbraw/zinc/33/24/20/651332420.db2.gz OGKAKKPBIXEMRX-HNNXBMFYSA-N 0 3 258.365 2.460 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C(C)(C)O)CC1 ZINC000879626559 651332905 /nfs/dbraw/zinc/33/29/05/651332905.db2.gz YGBBUUKZXLMOAI-CQSZACIVSA-N 0 3 296.455 2.282 20 30 CEEDHN C#CCCCN1CCc2c(C(=O)OC)ccc(OC)c2C1 ZINC000880035703 651377119 /nfs/dbraw/zinc/37/71/19/651377119.db2.gz FJYRJIINLYZDPH-UHFFFAOYSA-N 0 3 287.359 2.253 20 30 CEEDHN C=CCC[C@H](O)CN1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880057158 651380041 /nfs/dbraw/zinc/38/00/41/651380041.db2.gz OSLBYPRGDXIZFG-GRYCIOLGSA-N 0 3 281.318 2.355 20 30 CEEDHN C=CCCC[C@@H](NCC(=O)NCC#N)c1ccccc1 ZINC000880388807 651434564 /nfs/dbraw/zinc/43/45/64/651434564.db2.gz PDXHFPYYRDERLY-OAHLLOKOSA-N 0 3 271.364 2.313 20 30 CEEDHN C=CCCC[C@@H](NCC(=O)NC(=O)NC)c1ccccc1 ZINC000880387809 651434780 /nfs/dbraw/zinc/43/47/80/651434780.db2.gz DVMAUZJPILGQDR-CQSZACIVSA-N 0 3 289.379 2.129 20 30 CEEDHN C[C@@H](C#N)OCCN[C@H](Cn1ccnc1)c1ccccc1 ZINC000880569868 651462195 /nfs/dbraw/zinc/46/21/95/651462195.db2.gz QZFHVSRKYLZTQJ-GOEBONIOSA-N 0 3 284.363 2.143 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ccc(CC)cn2)CC1 ZINC000881209726 651628556 /nfs/dbraw/zinc/62/85/56/651628556.db2.gz JQPGSDQMQWSNPX-UHFFFAOYSA-N 0 3 288.395 2.416 20 30 CEEDHN C=CCN1CCC(Nc2ccc(C)nc2C#N)CC1 ZINC000881947194 651923387 /nfs/dbraw/zinc/92/33/87/651923387.db2.gz HFIPBHGOFPWWAK-UHFFFAOYSA-N 0 3 256.353 2.324 20 30 CEEDHN CCN1CC[C@@H]1CNc1c(C#N)cnc2ccc(OC)cc21 ZINC000882958728 652288638 /nfs/dbraw/zinc/28/86/38/652288638.db2.gz IXGAMINYPATQNA-CYBMUJFWSA-N 0 3 296.374 2.043 20 30 CEEDHN C#CC[C@@H](CO)NCc1cnc(-c2cccs2)s1 ZINC000883123822 652369637 /nfs/dbraw/zinc/36/96/37/652369637.db2.gz LZEHJIPJVAKLIJ-JTQLQIEISA-N 0 3 278.402 2.345 20 30 CEEDHN C#CC[C@H](CO)NCc1cccc(OCc2ccccn2)c1 ZINC000883124167 652369670 /nfs/dbraw/zinc/36/96/70/652369670.db2.gz YSDGCNOODCKWHZ-MRXNPFEDSA-N 0 3 296.370 2.134 20 30 CEEDHN C#CC[C@H](CO)NCc1cc2ccccc2cc1OC ZINC000883125741 652370966 /nfs/dbraw/zinc/37/09/66/652370966.db2.gz SMYJRPNAMRZCLR-MRXNPFEDSA-N 0 3 269.344 2.322 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2ccoc2)c(F)c1 ZINC000883270669 652419604 /nfs/dbraw/zinc/41/96/04/652419604.db2.gz TZAHMOGBCSNAAY-AWEZNQCLSA-N 0 3 288.322 2.231 20 30 CEEDHN C#CC1(NCc2ccc3[nH]c(=O)[nH]c3c2)CCCC1 ZINC000883362288 652444126 /nfs/dbraw/zinc/44/41/26/652444126.db2.gz ZFESOGHSFLDGIA-UHFFFAOYSA-N 0 3 255.321 2.304 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cnn(-c2ccc(F)cc2)c1 ZINC000883400047 652456236 /nfs/dbraw/zinc/45/62/36/652456236.db2.gz CBDPXGKYYQFRDJ-HNNXBMFYSA-N 0 3 289.354 2.428 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1ccc(Br)cn1 ZINC000883400901 652456585 /nfs/dbraw/zinc/45/65/85/652456585.db2.gz XWEYZMCKSYWALQ-LBPRGKRZSA-N 0 3 285.185 2.261 20 30 CEEDHN C[C@@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)C1CCCCC1 ZINC000884068426 652693202 /nfs/dbraw/zinc/69/32/02/652693202.db2.gz PLMBKZBCSXQLPN-ZCYLDUCGSA-N 0 3 289.423 2.211 20 30 CEEDHN CC(C)C[C@H]1CCCN1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884080201 652698645 /nfs/dbraw/zinc/69/86/45/652698645.db2.gz NZSROPNIANWUJA-GYMHETDLSA-N 0 3 289.423 2.163 20 30 CEEDHN C[C@@H]1CC[C@H](NC(=O)C2CC3(C2)CNC[C@H]3C#N)[C@@H](C)C1 ZINC000884137911 652724039 /nfs/dbraw/zinc/72/40/39/652724039.db2.gz YRMMTPRIDKESKA-CVZHDLGWSA-N 0 3 289.423 2.067 20 30 CEEDHN CCC1(CNC(=O)C2CC3(C2)CNC[C@H]3C#N)CCCC1 ZINC000884163459 652737209 /nfs/dbraw/zinc/73/72/09/652737209.db2.gz HGVOKDAGQQXFKK-XOYHFGRZSA-N 0 3 289.423 2.212 20 30 CEEDHN Cc1ccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)c(C)c1O ZINC000884307390 652790000 /nfs/dbraw/zinc/79/00/00/652790000.db2.gz IQENFFSOHONZHE-UIORMTCPSA-N 0 3 299.374 2.087 20 30 CEEDHN N#CC1(C[C@H](O)CN2CCc3ccccc3C2)CCC1 ZINC000885930645 653071060 /nfs/dbraw/zinc/07/10/60/653071060.db2.gz DBVSDAJNVPUKDH-INIZCTEOSA-N 0 3 270.376 2.490 20 30 CEEDHN N#CCc1cccnc1N(C(=N)N)c1ccc(F)cc1 ZINC001167989855 805589433 /nfs/dbraw/zinc/58/94/33/805589433.db2.gz GUZDTQVVBNNAJS-UHFFFAOYSA-N 0 3 269.283 2.318 20 30 CEEDHN C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC1CCC1 ZINC001029244919 805627462 /nfs/dbraw/zinc/62/74/62/805627462.db2.gz MPVPLRCKLJCKHJ-BMFZPTHFSA-N 0 3 289.423 2.402 20 30 CEEDHN C=CCN1CCC[C@@](C)(CNC(=O)c2oc(C)nc2C)C1 ZINC001270949548 805696822 /nfs/dbraw/zinc/69/68/22/805696822.db2.gz GROYLEAWLGPSLO-INIZCTEOSA-N 0 3 291.395 2.309 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)n2cccc2)[C@H]1CC ZINC001087543172 805722151 /nfs/dbraw/zinc/72/21/51/805722151.db2.gz OUAWZKZAYBMPOZ-QLFBSQMISA-N 0 3 275.396 2.204 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CC2(C)C)[C@H]1CC ZINC001087544951 805725327 /nfs/dbraw/zinc/72/53/27/805725327.db2.gz JDKFVQOOFLUAHN-RWMBFGLXSA-N 0 3 250.386 2.188 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2[nH]nc3ccccc32)[C@H]1CC ZINC001087816727 805802153 /nfs/dbraw/zinc/80/21/53/805802153.db2.gz CSQGOVNMMSUWSW-LSDHHAIUSA-N 0 3 298.390 2.332 20 30 CEEDHN CCC(=O)N1C[C@H]2CCN(Cc3ccc(C#N)cc3)C[C@H]2C1 ZINC001087857720 805820232 /nfs/dbraw/zinc/82/02/32/805820232.db2.gz XGWCWHBQSCVEBB-SJORKVTESA-N 0 3 297.402 2.249 20 30 CEEDHN C=C(C)CN1CC[C@@](O)(CNC(=O)CCCCC(C)C)C1 ZINC001271199341 805894139 /nfs/dbraw/zinc/89/41/39/805894139.db2.gz AFGKWXFWKPIWSG-QGZVFWFLSA-N 0 3 296.455 2.332 20 30 CEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cn[nH]c2)C1 ZINC001088270944 806074229 /nfs/dbraw/zinc/07/42/29/806074229.db2.gz UAOKIZLGKGOCLO-ZDUSSCGKSA-N 0 3 296.802 2.137 20 30 CEEDHN C=CCOCCN1CCC(NC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001228015738 806110772 /nfs/dbraw/zinc/11/07/72/806110772.db2.gz URWIJHMQHRRRMB-CQSZACIVSA-N 0 3 296.455 2.452 20 30 CEEDHN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCC(F)(F)F ZINC001272016114 806276699 /nfs/dbraw/zinc/27/66/99/806276699.db2.gz OAYUPNWJWVGLOU-RYUDHWBXSA-N 0 3 288.313 2.027 20 30 CEEDHN C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001088474415 806284487 /nfs/dbraw/zinc/28/44/87/806284487.db2.gz LMFAZRQUIYQNSU-OCCSQVGLSA-N 0 3 274.364 2.161 20 30 CEEDHN C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001088474415 806284494 /nfs/dbraw/zinc/28/44/94/806284494.db2.gz LMFAZRQUIYQNSU-OCCSQVGLSA-N 0 3 274.364 2.161 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)CCCC#CC)[C@@H]2C1 ZINC001272078883 806454086 /nfs/dbraw/zinc/45/40/86/806454086.db2.gz STGALDSAALXPGV-JKSUJKDBSA-N 0 3 274.408 2.289 20 30 CEEDHN CC/C(C)=C/C(=O)NCCNCc1ccc(C#N)cc1 ZINC001126751813 806515832 /nfs/dbraw/zinc/51/58/32/806515832.db2.gz IOBGALNYBNFSIK-JLHYYAGUSA-N 0 3 271.364 2.120 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc2c(c1)CCO2 ZINC001272118286 806555415 /nfs/dbraw/zinc/55/54/15/806555415.db2.gz XVVNXKQAHDOGSV-UHFFFAOYSA-N 0 3 288.391 2.201 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)[C@H](c1cccnc1)C(C)C ZINC001272138322 806561807 /nfs/dbraw/zinc/56/18/07/806561807.db2.gz TVXGBANKYHQPRH-INIZCTEOSA-N 0 3 289.423 2.397 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H]3C=CCCC3)[C@@H]2C1 ZINC001075936293 806581065 /nfs/dbraw/zinc/58/10/65/806581065.db2.gz YQCUTOIGYQUKMO-OWCLPIDISA-N 0 3 274.408 2.452 20 30 CEEDHN CC#CCN1CCC(CNC(=O)[C@H](C)C(F)(F)F)CC1 ZINC001224075621 806658159 /nfs/dbraw/zinc/65/81/59/806658159.db2.gz PEDSBNUPPUOXBR-NSHDSACASA-N 0 3 290.329 2.036 20 30 CEEDHN CC(C(=O)NCCNCc1ccc(C#N)cc1)=C1CCC1 ZINC001126902907 806770805 /nfs/dbraw/zinc/77/08/05/806770805.db2.gz BBMGQICRWFJUTL-UHFFFAOYSA-N 0 3 283.375 2.264 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc[nH]c2C2CC2)[C@H]1C ZINC001088821631 806771572 /nfs/dbraw/zinc/77/15/72/806771572.db2.gz FOZKGHCEVJXASK-RISCZKNCSA-N 0 3 273.380 2.271 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H]3CC=CCC3)[C@@H]2C1 ZINC001076136468 806814200 /nfs/dbraw/zinc/81/42/00/806814200.db2.gz CLHHGESYEJNPQO-HRCADAONSA-N 0 3 274.408 2.452 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)c3cocc3C)C2)C1 ZINC001041561208 802480139 /nfs/dbraw/zinc/48/01/39/802480139.db2.gz UYCGWMLDYZCRPS-QGZVFWFLSA-N 0 3 286.375 2.149 20 30 CEEDHN C=CCN(C)CCNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001266360254 802487811 /nfs/dbraw/zinc/48/78/11/802487811.db2.gz UVZODNMWNKHXGN-HNNXBMFYSA-N 0 3 250.386 2.357 20 30 CEEDHN C#Cc1cccc(NC(=O)NC(=O)CN(CC)C(C)C)c1 ZINC001167107914 802493312 /nfs/dbraw/zinc/49/33/12/802493312.db2.gz KPHXTIFFHJCEKE-UHFFFAOYSA-N 0 3 287.363 2.046 20 30 CEEDHN C=CCCC(=O)NCCN(CC)C[C@H]1CC(C)(C)CO1 ZINC001266381065 802508691 /nfs/dbraw/zinc/50/86/91/802508691.db2.gz TYDMXGOJXOISSB-CQSZACIVSA-N 0 3 282.428 2.206 20 30 CEEDHN CCN(CC=C(C)C)CCNC(=O)C#CC(C)C ZINC001266387912 802513801 /nfs/dbraw/zinc/51/38/01/802513801.db2.gz LCTYHZONXNCLLL-UHFFFAOYSA-N 0 3 250.386 2.050 20 30 CEEDHN C=CCOCCN1CC([C@H](C)NC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001282726858 802539663 /nfs/dbraw/zinc/53/96/63/802539663.db2.gz VNUAXLCINKHHAZ-KGLIPLIRSA-N 0 3 296.455 2.308 20 30 CEEDHN C=CCN(CCc1ccccc1)C[C@H](O)CC(=O)OCC ZINC001167273393 802621274 /nfs/dbraw/zinc/62/12/74/802621274.db2.gz FDYSQFCKNZBBMG-MRXNPFEDSA-N 0 3 291.391 2.031 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)C ZINC001266483985 802626117 /nfs/dbraw/zinc/62/61/17/802626117.db2.gz LRQUVVLQKVELED-IYBDPMFKSA-N 0 3 274.408 2.287 20 30 CEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CO[C@@H](C)CC ZINC001266483946 802626329 /nfs/dbraw/zinc/62/63/29/802626329.db2.gz KSJXJQXSIMZKOX-HRCADAONSA-N 0 3 294.439 2.443 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](C)Cc2ccccc2)C1 ZINC001266549266 802704436 /nfs/dbraw/zinc/70/44/36/802704436.db2.gz RNEPIFUFOOVFSB-AEFFLSMTSA-N 0 3 298.430 2.327 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)CC(C)(C)C ZINC001266556748 802713540 /nfs/dbraw/zinc/71/35/40/802713540.db2.gz XBANEKYAEFHKJL-UHFFFAOYSA-N 0 3 252.402 2.274 20 30 CEEDHN C#CCN(CCC)CCNC(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001266567216 802723545 /nfs/dbraw/zinc/72/35/45/802723545.db2.gz ZPJOTQIZYKZRTC-HNNXBMFYSA-N 0 3 294.439 2.043 20 30 CEEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2c[nH]cc2C)C1 ZINC001039244413 802763261 /nfs/dbraw/zinc/76/32/61/802763261.db2.gz YDNHRESHCKNCPW-WBVHZDCISA-N 0 3 299.418 2.273 20 30 CEEDHN C/C(=C\C(=O)N(C)CCNCc1cccc(C#N)c1)C1CC1 ZINC001266651006 802812591 /nfs/dbraw/zinc/81/25/91/802812591.db2.gz PIJVELDNZCXRJP-GXDHUFHOSA-N 0 3 297.402 2.463 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)/C=C/C(C)(C)C)C1 ZINC001266743524 802875489 /nfs/dbraw/zinc/87/54/89/802875489.db2.gz OMGCEJOKVDDDRC-VFNNOXKTSA-N 0 3 262.397 2.050 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001266752738 802880198 /nfs/dbraw/zinc/88/01/98/802880198.db2.gz WARBMWIOPSIXHO-UONOGXRCSA-N 0 3 298.377 2.273 20 30 CEEDHN CC#CCN[C@H](C)CNC(=O)[C@@H](CC)CCCC ZINC001266926831 803004097 /nfs/dbraw/zinc/00/40/97/803004097.db2.gz QWEUWUQOJXLIBV-KGLIPLIRSA-N 0 3 252.402 2.320 20 30 CEEDHN CC#CCN[C@@H](C)CNC(=O)c1c(C)cccc1Cl ZINC001266969014 803029795 /nfs/dbraw/zinc/02/97/95/803029795.db2.gz YMXNPOFSGQPVMK-LBPRGKRZSA-N 0 3 278.783 2.380 20 30 CEEDHN CC#CCN[C@@H](C)CNC(=O)C[C@H]1CCc2ccccc2C1 ZINC001266990753 803040295 /nfs/dbraw/zinc/04/02/95/803040295.db2.gz VTEUQARNBIIRKB-HOTGVXAUSA-N 0 3 298.430 2.299 20 30 CEEDHN CC#CCN[C@H](C)CNC(=O)c1ccc(C2CC2)cc1 ZINC001266995120 803044002 /nfs/dbraw/zinc/04/40/02/803044002.db2.gz CAIKFPWFOVLRJZ-CYBMUJFWSA-N 0 3 270.376 2.295 20 30 CEEDHN COc1ccc(CN(C)[C@H]2CC[C@@H]2OC)cc1C#N ZINC000724163135 803058163 /nfs/dbraw/zinc/05/81/63/803058163.db2.gz OIBSROCMAKJCHM-ZFWWWQNUSA-N 0 3 260.337 2.176 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCC(C)C ZINC001114989910 803062235 /nfs/dbraw/zinc/06/22/35/803062235.db2.gz WKEACZZDSFWCSQ-FOLVSLTJSA-N 0 3 264.413 2.435 20 30 CEEDHN CC#CCCCC(=O)N1CC[C@H](NCc2cccnc2C)C1 ZINC001267016614 803062419 /nfs/dbraw/zinc/06/24/19/803062419.db2.gz HNFDBIGGTYKQNF-KRWDZBQOSA-N 0 3 299.418 2.274 20 30 CEEDHN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(C)ncn1 ZINC001133884337 813168894 /nfs/dbraw/zinc/16/88/94/813168894.db2.gz NWTWFRYQJMMWJU-OCCSQVGLSA-N 0 3 290.411 2.124 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)C(C)(C)C1CCC1 ZINC001267208996 803233050 /nfs/dbraw/zinc/23/30/50/803233050.db2.gz FBVVHMUGNPMSKY-UHFFFAOYSA-N 0 3 252.402 2.437 20 30 CEEDHN C=CCN(C)CCNC(=O)C1(c2cccnc2)CCCC1 ZINC001267213569 803237511 /nfs/dbraw/zinc/23/75/11/803237511.db2.gz PWIDUTPREADXGZ-UHFFFAOYSA-N 0 3 287.407 2.127 20 30 CEEDHN CC(C)C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001207353711 803248341 /nfs/dbraw/zinc/24/83/41/803248341.db2.gz WPQDYNWWULCZQM-KRWDZBQOSA-N 0 3 284.403 2.275 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C)sn3)C[C@H]21 ZINC001042036474 803250291 /nfs/dbraw/zinc/25/02/91/803250291.db2.gz WNMZZBUUIKYBIS-TZMCWYRMSA-N 0 3 291.420 2.174 20 30 CEEDHN C=CCN(C)CCNC(=O)c1ccccc1OC(C)C ZINC001267226956 803255125 /nfs/dbraw/zinc/25/51/25/803255125.db2.gz XOWPAMLDBXJEQA-UHFFFAOYSA-N 0 3 276.380 2.321 20 30 CEEDHN C=CCN(CC)CCNC(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC001267254354 803297703 /nfs/dbraw/zinc/29/77/03/803297703.db2.gz MNECMBRDGUQNIM-HOTGVXAUSA-N 0 3 296.455 2.452 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@@H](C)c1ccncc1 ZINC001267270829 803317244 /nfs/dbraw/zinc/31/72/44/803317244.db2.gz MRQRAGSEGZBDQP-ZBFHGGJFSA-N 0 3 287.407 2.342 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCN1CCOC(C)C ZINC001267273605 803321320 /nfs/dbraw/zinc/32/13/20/803321320.db2.gz XSPZDGVYJBBMQP-CQSZACIVSA-N 0 3 282.428 2.204 20 30 CEEDHN CC#CCCCC(=O)NC[C@@H]1CCN(C[C@@H](F)CC)C1 ZINC001267300997 803344424 /nfs/dbraw/zinc/34/44/24/803344424.db2.gz WJNBFMRLHYRFDR-GJZGRUSLSA-N 0 3 282.403 2.366 20 30 CEEDHN C=CCN(CCNC(=O)c1cccc(OC)c1F)C1CC1 ZINC001267335545 803380769 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CC#CCNCCN(CC)C(=O)C[C@@H]1CCC[C@H]1C ZINC001268452319 804696442 /nfs/dbraw/zinc/69/64/42/804696442.db2.gz CSGMILYCUGWSBP-CABCVRRESA-N 0 3 264.413 2.274 20 30 CEEDHN CC#CCNCCN(CC)C(=O)c1ccc(C)c(F)c1 ZINC001268465332 804710153 /nfs/dbraw/zinc/71/01/53/804710153.db2.gz ZVHHSXLZGWMZRF-UHFFFAOYSA-N 0 3 276.355 2.209 20 30 CEEDHN CC#CCN1CC[C@H](CNC(=O)C2CCCCC2)C1 ZINC001028381431 804744807 /nfs/dbraw/zinc/74/48/07/804744807.db2.gz GHJBMOFEKNYGBQ-CQSZACIVSA-N 0 3 262.397 2.028 20 30 CEEDHN CC#CCNC/C=C/CNC(=O)C[C@H](C)CCC ZINC001268522762 804803510 /nfs/dbraw/zinc/80/35/10/804803510.db2.gz JMQIOICFUSVYMI-HSBSLETESA-N 0 3 250.386 2.098 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001028538205 804835992 /nfs/dbraw/zinc/83/59/92/804835992.db2.gz FKBYVFPKXHLASM-HUUCEWRRSA-N 0 3 274.408 2.028 20 30 CEEDHN C#CCNC/C=C/CNC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001268575745 804843815 /nfs/dbraw/zinc/84/38/15/804843815.db2.gz QDXQUHHYVSSRLZ-DZEZYYDTSA-N 0 3 274.408 2.098 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)CC2=CCCCC2)[C@@H](O)C1 ZINC001083373362 804875501 /nfs/dbraw/zinc/87/55/01/804875501.db2.gz BAZASHQIGBTKFQ-CVEARBPZSA-N 0 3 292.423 2.004 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc(C(C)C)nc2)C1 ZINC001028595407 804885434 /nfs/dbraw/zinc/88/54/34/804885434.db2.gz YAQOPXLIZWSCDS-HNNXBMFYSA-N 0 3 299.418 2.280 20 30 CEEDHN CC#CCNC/C=C\CNC(=O)c1cc(C)c(C)s1 ZINC001268622965 804894181 /nfs/dbraw/zinc/89/41/81/804894181.db2.gz HTJBYDAZQSBGHX-SREVYHEPSA-N 0 3 276.405 2.264 20 30 CEEDHN C=CCOCC(=O)N[C@H](C)CN[C@H](C)c1ccccc1F ZINC001268639069 804901452 /nfs/dbraw/zinc/90/14/52/804901452.db2.gz DZZWSWCLEUSGQS-CHWSQXEVSA-N 0 3 294.370 2.184 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)c2oc(C(F)F)cc2C)C1 ZINC001028606483 804906299 /nfs/dbraw/zinc/90/62/99/804906299.db2.gz UMCUNKVVYRWNGP-NSHDSACASA-N 0 3 296.317 2.211 20 30 CEEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)C[C@H]1C=CCC1 ZINC001268679489 804923987 /nfs/dbraw/zinc/92/39/87/804923987.db2.gz GRHULWQOGJYQLL-WMZOPIPTSA-N 0 3 296.414 2.489 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LUKXHDYGLRUTNB-RYUDHWBXSA-N 0 3 284.350 2.283 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001015987525 808602493 /nfs/dbraw/zinc/60/24/93/808602493.db2.gz KVDOROCVBBOJAR-ZIAGYGMSSA-N 0 3 290.432 2.374 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(F)(F)C1 ZINC001032436973 808610640 /nfs/dbraw/zinc/61/06/40/808610640.db2.gz TUJOEQYONHBGJI-AGIUHOORSA-N 0 3 284.350 2.283 20 30 CEEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC1(F)F ZINC001032467136 808619954 /nfs/dbraw/zinc/61/99/54/808619954.db2.gz BYXRYWIUIWVHFC-AVGNSLFASA-N 0 3 284.350 2.283 20 30 CEEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C1CC1)C1CC1 ZINC001032723149 808810458 /nfs/dbraw/zinc/81/04/58/808810458.db2.gz SVOADKSMIKFAPW-GJZGRUSLSA-N 0 3 274.408 2.284 20 30 CEEDHN C#C[C@@H](C)NC[C@@H](O)COc1ccccc1C(F)(F)F ZINC001120583134 815241424 /nfs/dbraw/zinc/24/14/24/815241424.db2.gz MRPSDDGCKAWHDF-GHMZBOCLSA-N 0 3 287.281 2.056 20 30 CEEDHN C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2[O-])C12CCC2 ZINC001078560326 808917051 /nfs/dbraw/zinc/91/70/51/808917051.db2.gz DNDMNKDCDZASGD-GJZGRUSLSA-N 0 3 286.375 2.209 20 30 CEEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C(C)C)C12CCC2 ZINC001078560312 808917077 /nfs/dbraw/zinc/91/70/77/808917077.db2.gz DKRHGVVCRPBMOH-NEPJUHHUSA-N 0 3 270.804 2.412 20 30 CEEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C(C)C)C12CCC2 ZINC001078560321 808917192 /nfs/dbraw/zinc/91/71/92/808917192.db2.gz DKRHGVVCRPBMOH-VXGBXAGGSA-N 0 3 270.804 2.412 20 30 CEEDHN C=C(Cl)C(C)(C)C(=O)NCCNCc1cnccc1C ZINC001128209372 808995359 /nfs/dbraw/zinc/99/53/59/808995359.db2.gz XFHQEJHOIKSCAI-UHFFFAOYSA-N 0 3 295.814 2.375 20 30 CEEDHN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(C)c(C)o1 ZINC001273012929 809128012 /nfs/dbraw/zinc/12/80/12/809128012.db2.gz YRFVJFSFCNBETO-HZPDHXFCSA-N 0 3 286.375 2.095 20 30 CEEDHN C=CCCN1CC[C@H](N(C)C(=O)c2oc(C)nc2C)C1 ZINC001032970434 809130922 /nfs/dbraw/zinc/13/09/22/809130922.db2.gz QEUPWGADDKDYRR-ZDUSSCGKSA-N 0 3 277.368 2.014 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)C2CC2)C1 ZINC001032981934 809135786 /nfs/dbraw/zinc/13/57/86/809135786.db2.gz IRGCPKQIVKYQOD-JSGCOSHPSA-N 0 3 250.386 2.141 20 30 CEEDHN CCC(=O)N1CC[C@H](NCc2ccccc2C#N)C[C@H]1C ZINC001044395997 809156638 /nfs/dbraw/zinc/15/66/38/809156638.db2.gz HHPSHQJGDAGACK-CJNGLKHVSA-N 0 3 285.391 2.437 20 30 CEEDHN CCC(=O)N1CC[C@@H](NCc2ccccc2C#N)C[C@@H]1C ZINC001044396001 809156991 /nfs/dbraw/zinc/15/69/91/809156991.db2.gz HHPSHQJGDAGACK-XJKSGUPXSA-N 0 3 285.391 2.437 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc(CC)n2)C1 ZINC001033145687 809200635 /nfs/dbraw/zinc/20/06/35/809200635.db2.gz OACNHPBHJNCWOD-HNNXBMFYSA-N 0 3 287.407 2.366 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccncc2CC)C1 ZINC001033212503 809237551 /nfs/dbraw/zinc/23/75/51/809237551.db2.gz RVKJRUGNANVPEI-OAHLLOKOSA-N 0 3 287.407 2.366 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc3cn[nH]c32)C1 ZINC001033316923 809265304 /nfs/dbraw/zinc/26/53/04/809265304.db2.gz ANVBDOYGFIMVLR-CQSZACIVSA-N 0 3 298.390 2.285 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccn(C)c2C)C1 ZINC001033395429 809288780 /nfs/dbraw/zinc/28/87/80/809288780.db2.gz GFLMCEOHWZLLAR-AWEZNQCLSA-N 0 3 275.396 2.056 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001033446838 809304871 /nfs/dbraw/zinc/30/48/71/809304871.db2.gz NRZAUYNFVZOYBC-ZDUSSCGKSA-N 0 3 288.395 2.010 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc3c([nH]2)CCC3)C1 ZINC001033575708 809344441 /nfs/dbraw/zinc/34/44/41/809344441.db2.gz LUXRHOVVFCYPTO-AWEZNQCLSA-N 0 3 287.407 2.226 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)c2cccnc2)C1 ZINC001033590270 809349729 /nfs/dbraw/zinc/34/97/29/809349729.db2.gz QXWGACVGKBKPCW-GDBMZVCRSA-N 0 3 287.407 2.294 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c[nH]cc2C)C1 ZINC001033652409 809373018 /nfs/dbraw/zinc/37/30/18/809373018.db2.gz IBSZLTJEOKTTMM-CYBMUJFWSA-N 0 3 261.369 2.046 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccn2C(C)C)C1 ZINC001033673121 809376426 /nfs/dbraw/zinc/37/64/26/809376426.db2.gz MGISZGLKZRPSMO-HNNXBMFYSA-N 0 3 287.407 2.239 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001033749173 809403448 /nfs/dbraw/zinc/40/34/48/809403448.db2.gz ATPZXOGWCPFMMN-CVEARBPZSA-N 0 3 274.408 2.289 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C)sn2)C1 ZINC001033817639 809426851 /nfs/dbraw/zinc/42/68/51/809426851.db2.gz QGQARNICYKDOPL-CYBMUJFWSA-N 0 3 291.420 2.011 20 30 CEEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2ccns2)C1 ZINC001033848033 809434363 /nfs/dbraw/zinc/43/43/63/809434363.db2.gz IGPAYJJOARRPIS-LBPRGKRZSA-N 0 3 279.409 2.256 20 30 CEEDHN CC(C)O[C@@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000701730389 809455945 /nfs/dbraw/zinc/45/59/45/809455945.db2.gz VXLHVRLRTMTGDI-CVEARBPZSA-N 0 3 274.364 2.091 20 30 CEEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001034089297 809506705 /nfs/dbraw/zinc/50/67/05/809506705.db2.gz DCQRODVCLYDHNN-AWEZNQCLSA-N 0 3 274.364 2.196 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC001034147954 809533036 /nfs/dbraw/zinc/53/30/36/809533036.db2.gz YBWDSULMNWKWSP-AWEZNQCLSA-N 0 3 275.396 2.484 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001034268513 809567855 /nfs/dbraw/zinc/56/78/55/809567855.db2.gz NYXJQMNDCIAJJE-HNNXBMFYSA-N 0 3 298.390 2.285 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001034301173 809573825 /nfs/dbraw/zinc/57/38/25/809573825.db2.gz GNTIXLMWOVGERF-INMHGKMJSA-N 0 3 292.423 2.102 20 30 CEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2c(C)cncc2C)C1 ZINC001034307143 809575457 /nfs/dbraw/zinc/57/54/57/809575457.db2.gz KGRQDPRZAFRPTF-MRXNPFEDSA-N 0 3 299.418 2.306 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC001034340445 809581292 /nfs/dbraw/zinc/58/12/92/809581292.db2.gz OKVJKLPKWBUEOD-CQSZACIVSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001034380673 809594046 /nfs/dbraw/zinc/59/40/46/809594046.db2.gz TYBQLKOZFXADIA-WBVHZDCISA-N 0 3 284.403 2.483 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc(OC)c2)C1 ZINC001034507926 809621816 /nfs/dbraw/zinc/62/18/16/809621816.db2.gz VJEDERBAHTYTML-OAHLLOKOSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2ccc(C)c(C)n2)CC1 ZINC001045504446 809647614 /nfs/dbraw/zinc/64/76/14/809647614.db2.gz OZZASVZBUBPRLT-UHFFFAOYSA-N 0 3 287.407 2.469 20 30 CEEDHN C#CCC1(C(=O)NCCNCc2ccsc2)CCC1 ZINC001129125123 809764246 /nfs/dbraw/zinc/76/42/46/809764246.db2.gz MQTTXUJRFNDAPL-UHFFFAOYSA-N 0 3 276.405 2.148 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@]1(C)CC)CC2 ZINC001035828715 809821949 /nfs/dbraw/zinc/82/19/49/809821949.db2.gz SZRGFUDBWGQZJB-DOTOQJQBSA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001079550121 810219241 /nfs/dbraw/zinc/21/92/41/810219241.db2.gz YYSMJUONSJVLMF-ZYHUDNBSSA-N 0 3 272.339 2.044 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001079583631 810222053 /nfs/dbraw/zinc/22/20/53/810222053.db2.gz YNFVYFJSJBNPAG-RBSFLKMASA-N 0 3 275.396 2.062 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001079663967 810229192 /nfs/dbraw/zinc/22/91/92/810229192.db2.gz ZICZRAMOINRURQ-CHWSQXEVSA-N 0 3 276.405 2.130 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001079854464 810235092 /nfs/dbraw/zinc/23/50/92/810235092.db2.gz NLLQBQOQDDFPLF-IAQYHMDHSA-N 0 3 292.329 2.038 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001080110658 810248277 /nfs/dbraw/zinc/24/82/77/810248277.db2.gz XDKOGXQCGVYKAE-KBUPBQIOSA-N 0 3 276.424 2.128 20 30 CEEDHN C=CCCn1cc(CN[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)nn1 ZINC001118484188 810267283 /nfs/dbraw/zinc/26/72/83/810267283.db2.gz DEDFHLMQLRGTSE-RTXFEEFZSA-N 0 3 282.338 2.378 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001080337956 810272101 /nfs/dbraw/zinc/27/21/01/810272101.db2.gz HQEDUBPGFZEUQQ-IUODEOHRSA-N 0 3 286.375 2.230 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001080407746 810280063 /nfs/dbraw/zinc/28/00/63/810280063.db2.gz NXWHYORULDZTPM-AAVRWANBSA-N 0 3 250.386 2.045 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001080407542 810280248 /nfs/dbraw/zinc/28/02/48/810280248.db2.gz GHKZSOKYYFGCOY-RBSFLKMASA-N 0 3 276.424 2.273 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccsc2C)C1 ZINC001080564179 810294916 /nfs/dbraw/zinc/29/49/16/810294916.db2.gz LQPKFUBWHGYMQS-BXUZGUMPSA-N 0 3 278.421 2.222 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCN(CC=C(C)C)C2)cc1 ZINC001015482300 810295744 /nfs/dbraw/zinc/29/57/44/810295744.db2.gz LXHYGFHILGFUNN-QGZVFWFLSA-N 0 3 282.387 2.438 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001080882405 810316270 /nfs/dbraw/zinc/31/62/70/810316270.db2.gz AFTUEAULZBMDGK-NVXWUHKLSA-N 0 3 284.403 2.377 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccccc2CC)C1 ZINC001015624222 810317681 /nfs/dbraw/zinc/31/76/81/810317681.db2.gz HASFSMXBIHSMEC-OAHLLOKOSA-N 0 3 270.376 2.076 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CC2(C)C)C[C@H]1c1ccccc1 ZINC001081107818 810332465 /nfs/dbraw/zinc/33/24/65/810332465.db2.gz HLTMQDXSYIKQEM-YESZJQIVSA-N 0 3 296.414 2.250 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@H]1c1ccccc1 ZINC001081187580 810334678 /nfs/dbraw/zinc/33/46/78/810334678.db2.gz NFLMDYJDCFASLU-YESZJQIVSA-N 0 3 294.398 2.004 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1n[nH]c2cc(OC)ccc21 ZINC001121951558 815370170 /nfs/dbraw/zinc/37/01/70/815370170.db2.gz DFJIAXXBHNDXEQ-LBPRGKRZSA-N 0 3 288.351 2.194 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001016157992 810406371 /nfs/dbraw/zinc/40/63/71/810406371.db2.gz ZWQBARKAQPUQHX-INIZCTEOSA-N 0 3 270.376 2.076 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001016165231 810407486 /nfs/dbraw/zinc/40/74/86/810407486.db2.gz RRLLAFJRBCFUQY-OAHLLOKOSA-N 0 3 270.376 2.131 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCCC2(C1)OCCO2 ZINC001172319958 815370003 /nfs/dbraw/zinc/37/00/03/815370003.db2.gz SLEGDXTUEYYNHN-AWEZNQCLSA-N 0 3 286.375 2.328 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccccc2C)CC1 ZINC001016488378 810445276 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C=CC(C)(C)CC(=O)N[C@H]1CCN(CC=C(C)C)C[C@@H]1O ZINC001099848603 810543271 /nfs/dbraw/zinc/54/32/71/810543271.db2.gz WYDCJYGJVGKUPD-GJZGRUSLSA-N 0 3 294.439 2.106 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](OC)C1 ZINC001017690660 810543845 /nfs/dbraw/zinc/54/38/45/810543845.db2.gz OUHSYZGHXUOKAY-WCVJEAGWSA-N 0 3 292.423 2.053 20 30 CEEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccoc1 ZINC001230758850 810555811 /nfs/dbraw/zinc/55/58/11/810555811.db2.gz LOXPEJCKSHBKMD-AWEZNQCLSA-N 0 3 262.353 2.392 20 30 CEEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CC2 ZINC001017996699 810580053 /nfs/dbraw/zinc/58/00/53/810580053.db2.gz ORVYPSQHUGAEFJ-QLFBSQMISA-N 0 3 274.408 2.428 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H](OC2CCC2)C1 ZINC001122054044 815381086 /nfs/dbraw/zinc/38/10/86/815381086.db2.gz MTAOBPXJGNXRFZ-LSDHHAIUSA-N 0 3 280.412 2.230 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCN(C(=O)C3CCC3)C2)s1 ZINC001018391986 810608448 /nfs/dbraw/zinc/60/84/48/810608448.db2.gz 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ZINC001071335693 813370397 /nfs/dbraw/zinc/37/03/97/813370397.db2.gz ZUHNCJGGBPUCNE-DGCLKSJQSA-N 0 3 293.798 2.274 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)c2cncs2)CC[C@@H]1C ZINC001071373787 813382778 /nfs/dbraw/zinc/38/27/78/813382778.db2.gz OGDQHMHPQSQVMV-RYUDHWBXSA-N 0 3 279.409 2.302 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cc(C)on2)CC[C@@H]1C ZINC001071393303 813387618 /nfs/dbraw/zinc/38/76/18/813387618.db2.gz BVECVBOSFXOFLB-JSGCOSHPSA-N 0 3 291.395 2.071 20 30 CEEDHN C=CCCCC(=O)N[C@H](C)C[C@H](C)NCc1ccn(C)n1 ZINC001135358468 813415435 /nfs/dbraw/zinc/41/54/35/813415435.db2.gz SMCPXQWXHIPOTE-UONOGXRCSA-N 0 3 292.427 2.149 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)C2CC(C)(C)C2)CC[C@H]1C ZINC001071480989 813418943 /nfs/dbraw/zinc/41/89/43/813418943.db2.gz CAERQBFNJNTIFM-UKRRQHHQSA-N 0 3 276.424 2.415 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)C2C=CC=CC=C2)CC[C@@H]1C ZINC001071544513 813434969 /nfs/dbraw/zinc/43/49/69/813434969.db2.gz ZPHMWAUWNIVJMU-HOCLYGCPSA-N 0 3 272.392 2.440 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cccn2CC=C)CC[C@@H]1C ZINC001071572128 813439779 /nfs/dbraw/zinc/43/97/79/813439779.db2.gz QMIZNDSSTDALRS-HOTGVXAUSA-N 0 3 299.418 2.280 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2c(C)cncc2C)CC[C@H]1C ZINC001071686365 813465103 /nfs/dbraw/zinc/46/51/03/813465103.db2.gz SIRCUOHHDFWNJX-HZPDHXFCSA-N 0 3 299.418 2.304 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ncc(C)cc2C)CC[C@H]1C ZINC001071698499 813465798 /nfs/dbraw/zinc/46/57/98/813465798.db2.gz RGIIUSSECHMEDJ-CVEARBPZSA-N 0 3 299.418 2.304 20 30 CEEDHN C=CCN1C[C@H](NC(=O)Cc2cncc(C)c2)CC[C@H]1C ZINC001071712967 813469068 /nfs/dbraw/zinc/46/90/68/813469068.db2.gz WPYQLJZSHFNBBW-GDBMZVCRSA-N 0 3 287.407 2.088 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)Cc2occc2C)CC[C@H]1C ZINC001071812047 813488083 /nfs/dbraw/zinc/48/80/83/813488083.db2.gz RLZCCSXCWBIFAJ-CABCVRRESA-N 0 3 288.391 2.123 20 30 CEEDHN C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H](C)N(CC(=C)C)C2)c1 ZINC001071813464 813490688 /nfs/dbraw/zinc/49/06/88/813490688.db2.gz ATHKWBWNCGRYKC-RHSMWYFYSA-N 0 3 297.402 2.222 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2c[nH]cc2C)CC[C@@H]1C ZINC001072078781 813540962 /nfs/dbraw/zinc/54/09/62/813540962.db2.gz KKMLPJQXVQKPHK-UONOGXRCSA-N 0 3 275.396 2.482 20 30 CEEDHN CC(C)[C@@H]1C[C@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001136061960 813594362 /nfs/dbraw/zinc/59/43/62/813594362.db2.gz UHPYWMKDLHLOTP-UONOGXRCSA-N 0 3 291.420 2.118 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)C1 ZINC001072580637 813618488 /nfs/dbraw/zinc/61/84/88/813618488.db2.gz GNMRWTYZGMHBCU-FICVDOATSA-N 0 3 274.408 2.143 20 30 CEEDHN C#CCOc1ccccc1CNC[C@H]1CC[C@H](C)O1 ZINC000398096705 813656500 /nfs/dbraw/zinc/65/65/00/813656500.db2.gz FSONBAXKECRLMK-DZGCQCFKSA-N 0 3 259.349 2.356 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3conc3C(C)C)C2)C1 ZINC001072808494 813661348 /nfs/dbraw/zinc/66/13/48/813661348.db2.gz DRZHPYWDKIVGPV-UHFFFAOYSA-N 0 3 289.379 2.132 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@@H]3C=CCCC3)C2)C1 ZINC001072845722 813672841 /nfs/dbraw/zinc/67/28/41/813672841.db2.gz BUKNOWBIZVJIDE-OAHLLOKOSA-N 0 3 274.408 2.453 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3cc(C)cc(C)n3)C2)C1 ZINC001072884214 813682421 /nfs/dbraw/zinc/68/24/21/813682421.db2.gz NPEBHFGGDUVYDV-UHFFFAOYSA-N 0 3 285.391 2.032 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)Cc3ccc(C)cc3)C2)C1 ZINC001072902631 813685424 /nfs/dbraw/zinc/68/54/24/813685424.db2.gz UMONWJPRPLUKJM-UHFFFAOYSA-N 0 3 296.414 2.095 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@@H](C)c3cccnc3)C2)C1 ZINC001073032062 813715537 /nfs/dbraw/zinc/71/55/37/813715537.db2.gz YSUXHRSSISZSHB-OAHLLOKOSA-N 0 3 299.418 2.296 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)c2ccccc2)C1 ZINC001073520980 813760969 /nfs/dbraw/zinc/76/09/69/813760969.db2.gz IEEZOVNYWUHRLP-MRXNPFEDSA-N 0 3 288.391 2.083 20 30 CEEDHN C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001073763024 813779387 /nfs/dbraw/zinc/77/93/87/813779387.db2.gz TVEYOAABJMYZBW-BZUAXINKSA-N 0 3 294.439 2.206 20 30 CEEDHN C=CCN1CCC[C@@H](N[C@H](C)CC(F)(F)F)C1=O ZINC001255641309 813829807 /nfs/dbraw/zinc/82/98/07/813829807.db2.gz YTECJLLVALFVSJ-NXEZZACHSA-N 0 3 264.291 2.094 20 30 CEEDHN C=C(C)C[NH2+]C1CC(CNC(=O)c2ccccc2[O-])C1 ZINC001090935104 813902978 /nfs/dbraw/zinc/90/29/78/813902978.db2.gz FZFXHUJQCSGLSR-UHFFFAOYSA-N 0 3 274.364 2.066 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1cccnc1)C2 ZINC001098235917 813912796 /nfs/dbraw/zinc/91/27/96/813912796.db2.gz WEPCYSHQAXKVEL-DZUCGIPZSA-N 0 3 299.418 2.483 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2coc(C)c2)C1 ZINC001098810192 813954347 /nfs/dbraw/zinc/95/43/47/813954347.db2.gz FMQCUVJZNDHQMF-HOCLYGCPSA-N 0 3 274.364 2.358 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1C(F)(F)F ZINC001099211342 813995661 /nfs/dbraw/zinc/99/56/61/813995661.db2.gz MBLYAIVCOIAHHU-GHMZBOCLSA-N 0 3 288.269 2.058 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)C#CC(C)(C)C)C1 ZINC001100315959 814097678 /nfs/dbraw/zinc/09/76/78/814097678.db2.gz MYGIBLWCECUQJE-UHFFFAOYSA-N 0 3 282.815 2.273 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)N(C)Cc1ccncn1 ZINC001171231746 814202427 /nfs/dbraw/zinc/20/24/27/814202427.db2.gz MHLUSFPQORPTMV-ZDUSSCGKSA-N 0 3 266.348 2.411 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)CC(=C)C)C[C@]2(C)C1 ZINC001101332027 814248072 /nfs/dbraw/zinc/24/80/72/814248072.db2.gz QOQCROPZILWBJD-UXLLHSPISA-N 0 3 274.408 2.002 20 30 CEEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(CCF)C[C@H]1C ZINC001102262491 814372921 /nfs/dbraw/zinc/37/29/21/814372921.db2.gz BIJIRIJABSVLLV-HZSPNIEDSA-N 0 3 270.392 2.242 20 30 CEEDHN CC#CCNCCNC(=O)C[C@H]1CCCC(C)(C)C1 ZINC001147864486 814508644 /nfs/dbraw/zinc/50/86/44/814508644.db2.gz AISBRZJFQRTULW-CQSZACIVSA-N 0 3 264.413 2.322 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)CC(C)C)C2)C1 ZINC001148497056 814575719 /nfs/dbraw/zinc/57/57/19/814575719.db2.gz VLFBMBYZICZVJZ-AWEZNQCLSA-N 0 3 264.413 2.389 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)CCC)C1 ZINC001111652168 814592478 /nfs/dbraw/zinc/59/24/78/814592478.db2.gz SFFZNYGDZPSKGG-VYDXJSESSA-N 0 3 276.424 2.417 20 30 CEEDHN CCCCCCCCC(=O)NCCNCc1cncn1C ZINC001148727862 814606828 /nfs/dbraw/zinc/60/68/28/814606828.db2.gz OXHAVFRFLQLGAD-UHFFFAOYSA-N 0 3 294.443 2.377 20 30 CEEDHN C#CCNCCNC(=O)CCCCCCCCC ZINC001148821260 814617840 /nfs/dbraw/zinc/61/78/40/814617840.db2.gz ZGWIPCLGLUSPKB-UHFFFAOYSA-N 0 3 252.402 2.466 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](C)OCCC(C)C)C2)C1 ZINC001148900180 814621964 /nfs/dbraw/zinc/62/19/64/814621964.db2.gz UQRMUODTRDWRNV-OAHLLOKOSA-N 0 3 294.439 2.158 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C3CCC3)C2)CC1 ZINC001086896530 814644657 /nfs/dbraw/zinc/64/46/57/814644657.db2.gz OLPMTHUIBGVJLL-CQSZACIVSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3cc[nH]c3C(C)C)C[C@]2(C)C1 ZINC001091941540 814682415 /nfs/dbraw/zinc/68/24/15/814682415.db2.gz JPBCEUDJDRTJQG-KDOFPFPSSA-N 0 3 299.418 2.165 20 30 CEEDHN C=C(Cl)CNC1(CNC(=O)COCC)CCCCC1 ZINC001115391962 814701722 /nfs/dbraw/zinc/70/17/22/814701722.db2.gz FKDSEXBGSIIBPK-UHFFFAOYSA-N 0 3 288.819 2.184 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2ccccc2Cl)[C@H](C)C1 ZINC001093147336 814874725 /nfs/dbraw/zinc/87/47/25/814874725.db2.gz DFNHPJGHYGCIEC-CHWSQXEVSA-N 0 3 290.794 2.271 20 30 CEEDHN C=C(CC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001124070774 815594809 /nfs/dbraw/zinc/59/48/09/815594809.db2.gz QTNIFXDRRAFMSX-MRXNPFEDSA-N 0 3 289.423 2.438 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1C=CCC1)C2 ZINC001095159190 815718396 /nfs/dbraw/zinc/71/83/96/815718396.db2.gz NYVSUBJVLATZAW-FZKCQIBNSA-N 0 3 272.392 2.088 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)C(C)(C)C)[C@H](O)C1 ZINC001099943327 815748913 /nfs/dbraw/zinc/74/89/13/815748913.db2.gz BNJZMGJJIXARDS-ZIAGYGMSSA-N 0 3 296.455 2.186 20 30 CEEDHN COC(=O)c1cccnc1CNC1CCC(C)(C#N)CC1 ZINC001173589246 815753992 /nfs/dbraw/zinc/75/39/92/815753992.db2.gz YPUTXHUVTMAFDB-UHFFFAOYSA-N 0 3 287.363 2.430 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1[O-] ZINC001138624298 815846045 /nfs/dbraw/zinc/84/60/45/815846045.db2.gz BVJVNFYVJPWNNO-SWLSCSKDSA-N 0 3 261.365 2.323 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c1[O-] ZINC001138624298 815846052 /nfs/dbraw/zinc/84/60/52/815846052.db2.gz BVJVNFYVJPWNNO-SWLSCSKDSA-N 0 3 261.365 2.323 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CCC[C@@H](NC(C)=O)C2)c1[O-] ZINC001138629289 815847845 /nfs/dbraw/zinc/84/78/45/815847845.db2.gz TYBVRCMMXOUKNV-MRXNPFEDSA-N 0 3 288.391 2.221 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c1[O-] ZINC001138629289 815847853 /nfs/dbraw/zinc/84/78/53/815847853.db2.gz TYBVRCMMXOUKNV-MRXNPFEDSA-N 0 3 288.391 2.221 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)c1[O-] ZINC001138628482 815847878 /nfs/dbraw/zinc/84/78/78/815847878.db2.gz VGLVATZKIMRTMD-HNNXBMFYSA-N 0 3 288.391 2.173 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1[O-] ZINC001138628482 815847887 /nfs/dbraw/zinc/84/78/87/815847887.db2.gz VGLVATZKIMRTMD-HNNXBMFYSA-N 0 3 288.391 2.173 20 30 CEEDHN CCCn1ncc(CN2CCC3SC(=O)C=C3C2)c1C ZINC001138635157 815850411 /nfs/dbraw/zinc/85/04/11/815850411.db2.gz MCAUGVVMGPKWJJ-CQSZACIVSA-N 0 3 291.420 2.376 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1[C@@H]3CCCC[C@@H]31)C2 ZINC001095275444 815874203 /nfs/dbraw/zinc/87/42/03/815874203.db2.gz KGBDZSMHKLEURV-XDKXFUCDSA-N 0 3 286.419 2.167 20 30 CEEDHN C=CCN1CC=C(CCNC(=O)[C@H](C)[C@@H]2CCCO2)CC1 ZINC001161184862 815994069 /nfs/dbraw/zinc/99/40/69/815994069.db2.gz LVVWTPZBAMFEBV-ZBFHGGJFSA-N 0 3 292.423 2.126 20 30 CEEDHN Cc1ccc(CN2CCC(N3CC(F)C3)CC2)cc1C#N ZINC001139726279 816096911 /nfs/dbraw/zinc/09/69/11/816096911.db2.gz DXIINHKLOKVCPX-UHFFFAOYSA-N 0 3 287.382 2.485 20 30 CEEDHN C=CCn1cc(CN2CCC3(CCCOC3)CC2)cn1 ZINC001139770874 816111623 /nfs/dbraw/zinc/11/16/23/816111623.db2.gz FCEQBJGDWDLRCS-UHFFFAOYSA-N 0 3 275.396 2.462 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)Oc1ccccc1 ZINC001175164143 816149152 /nfs/dbraw/zinc/14/91/52/816149152.db2.gz DMMGEWQVDADPAM-ZDUSSCGKSA-N 0 3 296.798 2.302 20 30 CEEDHN N#Cc1ccc2[nH]cc(CN3C[C@@H]4CCO[C@@H]4C3)c2c1 ZINC001140116443 816193757 /nfs/dbraw/zinc/19/37/57/816193757.db2.gz ZEUCITFZAVYJCF-BLLLJJGKSA-N 0 3 267.332 2.260 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)C[C@H](C)C1CC1 ZINC001177048395 816513848 /nfs/dbraw/zinc/51/38/48/816513848.db2.gz YZWDQTATMRHOBO-JTQLQIEISA-N 0 3 258.793 2.271 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1COc2ccccc21 ZINC001177419207 816558344 /nfs/dbraw/zinc/55/83/44/816558344.db2.gz MRAZBIOXODEXMG-ZDUSSCGKSA-N 0 3 294.782 2.011 20 30 CEEDHN Cc1c[nH]nc1NC(=O)C(C#N)Cc1cccs1 ZINC001177905146 816640897 /nfs/dbraw/zinc/64/08/97/816640897.db2.gz WDIBGFMUAOEKQG-VIFPVBQESA-N 0 3 260.322 2.101 20 30 CEEDHN O=C1C=C2CN(Cc3cccc4n[nH]cc43)CCC2S1 ZINC001143089005 816781747 /nfs/dbraw/zinc/78/17/47/816781747.db2.gz HLWWJIIWZZNMRL-CQSZACIVSA-N 0 3 285.372 2.337 20 30 CEEDHN C#CCC1(NC(=O)CN2CC[C@@H](C)C2)CCCCC1 ZINC001178770084 816793427 /nfs/dbraw/zinc/79/34/27/816793427.db2.gz RCVQAJORZRUNDX-CQSZACIVSA-N 0 3 262.397 2.171 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000079267599 343976886 /nfs/dbraw/zinc/97/68/86/343976886.db2.gz IVQYNEILOWVNHM-GJZGRUSLSA-N 0 3 279.428 2.490 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CCN[C@H](C(C)C)C1 ZINC000621155251 349514305 /nfs/dbraw/zinc/51/43/05/349514305.db2.gz BTZHTPBYBIISDK-AWEZNQCLSA-N 0 3 250.386 2.211 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)C[C@@H]1CCOC1 ZINC000121146904 365528291 /nfs/dbraw/zinc/52/82/91/365528291.db2.gz MXEVJXKSIUMNLL-ZDUSSCGKSA-N 0 3 260.337 2.035 20 30 CEEDHN CN(C)[C@H]1CCCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000336246782 365534654 /nfs/dbraw/zinc/53/46/54/365534654.db2.gz YYJPSGMXJXKCDN-XJKSGUPXSA-N 0 3 275.396 2.013 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000121343022 365555917 /nfs/dbraw/zinc/55/59/17/365555917.db2.gz YZZFPYBRXBLYNB-DZGCQCFKSA-N 0 3 290.382 2.381 20 30 CEEDHN N#Cc1ccc(C(=O)N2CCC[C@H](N3CCCC3)C2)cc1 ZINC000079694609 343988207 /nfs/dbraw/zinc/98/82/07/343988207.db2.gz LQAAMZSZYKPEDP-INIZCTEOSA-N 0 3 283.375 2.259 20 30 CEEDHN N#Cc1ccc(CNC[C@H](O)CCc2ccccc2)o1 ZINC000273053919 192031763 /nfs/dbraw/zinc/03/17/63/192031763.db2.gz CVPLQGCTPAEPGW-CQSZACIVSA-N 0 3 270.332 2.235 20 30 CEEDHN Cn1cc(CN2CC[C@@H](C3CCOCC3)C2)cc1C#N ZINC000336530604 365605138 /nfs/dbraw/zinc/60/51/38/365605138.db2.gz MNISAVYDQSGLJM-OAHLLOKOSA-N 0 3 273.380 2.145 20 30 CEEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cccnc1 ZINC000122675810 365631524 /nfs/dbraw/zinc/63/15/24/365631524.db2.gz MUNWORXNUYXYDT-LBPRGKRZSA-N 0 3 276.299 2.458 20 30 CEEDHN Cc1cccc(NC(=O)[C@H]2CCCN(CCCC#N)C2)n1 ZINC000122174040 365624636 /nfs/dbraw/zinc/62/46/36/365624636.db2.gz LRSWWMNIKWJQFN-AWEZNQCLSA-N 0 3 286.379 2.344 20 30 CEEDHN C#CCN(CCC(=O)N(C)C)[C@@H]1CCc2ccccc21 ZINC000080002661 343996556 /nfs/dbraw/zinc/99/65/56/343996556.db2.gz CGMWQALKVAWMJE-MRXNPFEDSA-N 0 3 270.376 2.087 20 30 CEEDHN CN(CC(=O)Nc1ccc(C#N)cc1)C1CCCC1 ZINC000037022507 361887279 /nfs/dbraw/zinc/88/72/79/361887279.db2.gz PNPJBNGPKLEHSN-UHFFFAOYSA-N 0 3 257.337 2.371 20 30 CEEDHN CN1CCC[C@H]1C(=O)NCCC(=O)Nc1cccnc1 ZINC000328864213 539187395 /nfs/dbraw/zinc/18/73/95/539187395.db2.gz MSBKGTLHKNRHAX-LBPRGKRZSA-N 0 3 276.340 2.110 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000354851136 529490393 /nfs/dbraw/zinc/49/03/93/529490393.db2.gz OZHZKPKPQMCGJM-HIFRSBDPSA-N 0 3 265.401 2.307 20 30 CEEDHN C=CC[C@H](CO)N[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000621758682 349694458 /nfs/dbraw/zinc/69/44/58/349694458.db2.gz GVKUDEOGBUCEAV-HIFRSBDPSA-N 0 3 274.364 2.011 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)CC)CC1 ZINC000080682304 344019940 /nfs/dbraw/zinc/01/99/40/344019940.db2.gz LHXLBOSPUKVYGN-ZIAGYGMSSA-N 0 3 264.413 2.273 20 30 CEEDHN C[C@H](NC(=O)NC1CCN(C2CC2)CC1)[C@H]1CCCCO1 ZINC000329417789 539238886 /nfs/dbraw/zinc/23/88/86/539238886.db2.gz DMDRNUBVGNJQMO-SWLSCSKDSA-N 0 3 295.427 2.074 20 30 CEEDHN CN1CCC(CC(=O)NCCC(=O)N2CCCCC2)CC1 ZINC000329571666 539243153 /nfs/dbraw/zinc/24/31/53/539243153.db2.gz IZKSCXNBXRCCJE-UHFFFAOYSA-N 0 3 295.427 2.077 20 30 CEEDHN N#Cc1ccccc1OCCN1CCCSCC1 ZINC000042443888 362095569 /nfs/dbraw/zinc/09/55/69/362095569.db2.gz NZLRMUKNMMIHQP-UHFFFAOYSA-N 0 3 262.378 2.376 20 30 CEEDHN N#Cc1ccc([C@@H](N[C@H]2CCCC23CC3)C(N)=O)cc1 ZINC000601933868 346930714 /nfs/dbraw/zinc/93/07/14/346930714.db2.gz KGHINNNMJBLWIO-UONOGXRCSA-N 0 3 269.348 2.007 20 30 CEEDHN N#Cc1ccccc1OC[C@@H](O)CNCc1cccs1 ZINC000037886178 343432075 /nfs/dbraw/zinc/43/20/75/343432075.db2.gz KBHVJNBWINBNGU-ZDUSSCGKSA-N 0 3 288.372 2.149 20 30 CEEDHN C=CCN1CCC(Nc2nc(C)nc3[nH]ccc32)CC1 ZINC000080984684 344032825 /nfs/dbraw/zinc/03/28/25/344032825.db2.gz SCGNUEGNKCJZSQ-UHFFFAOYSA-N 0 3 271.368 2.329 20 30 CEEDHN CCCNC(=O)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000042686090 343454619 /nfs/dbraw/zinc/45/46/19/343454619.db2.gz SZYCELGQQCXPKV-UHFFFAOYSA-N 0 3 285.391 2.296 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](C)CCc2ccccc2)CC1 ZINC000050025292 343541176 /nfs/dbraw/zinc/54/11/76/343541176.db2.gz LMZSSMYULKFZOT-INIZCTEOSA-N 0 3 298.430 2.469 20 30 CEEDHN N#CCCCN1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000051556740 343551400 /nfs/dbraw/zinc/55/14/00/343551400.db2.gz LFYVDUXSOVIPFU-CQSZACIVSA-N 0 3 263.385 2.015 20 30 CEEDHN C#CCN(CC)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000056532795 343617980 /nfs/dbraw/zinc/61/79/80/343617980.db2.gz VTLKFZZLNSPIDB-QGZVFWFLSA-N 0 3 299.418 2.488 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)C1(C#N)CCCCC1 ZINC000057388383 343629222 /nfs/dbraw/zinc/62/92/22/343629222.db2.gz QAUAROGUAFYLAI-AWEZNQCLSA-N 0 3 277.412 2.451 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]1C(C)C ZINC000063618439 343680277 /nfs/dbraw/zinc/68/02/77/343680277.db2.gz FRWCOZYTAGXNMF-CQSZACIVSA-N 0 3 250.386 2.307 20 30 CEEDHN N#Cc1nnc2ccccc2c1N1CC[C@@H](N2CCCC2)C1 ZINC000077216030 343911082 /nfs/dbraw/zinc/91/10/82/343911082.db2.gz JEFVZBDYICDPLE-CYBMUJFWSA-N 0 3 293.374 2.176 20 30 CEEDHN CN(CCOCc1ccc(C#N)cc1)CCC1(O)CCC1 ZINC000411737809 529923838 /nfs/dbraw/zinc/92/38/38/529923838.db2.gz QYJTUSTUTVYWBU-UHFFFAOYSA-N 0 3 288.391 2.312 20 30 CEEDHN N#CCCCN1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000077331674 343917422 /nfs/dbraw/zinc/91/74/22/343917422.db2.gz OXAYYQXPENOEIW-ZDUSSCGKSA-N 0 3 272.352 2.036 20 30 CEEDHN C=CCCC[C@H](C)N1CCN([C@H](CC)CO)CC1 ZINC000091512615 344166650 /nfs/dbraw/zinc/16/66/50/344166650.db2.gz SBGGHIVIISMNLR-LSDHHAIUSA-N 0 3 254.418 2.120 20 30 CEEDHN C[C@@H](CCC#N)CN1CCN(Cc2ccccn2)CC1 ZINC000602430396 347029440 /nfs/dbraw/zinc/02/94/40/347029440.db2.gz LPQQLNVWUJCDSX-HNNXBMFYSA-N 0 3 272.396 2.139 20 30 CEEDHN CCCCN(C[C@H](C)CCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000602432613 347030261 /nfs/dbraw/zinc/03/02/61/347030261.db2.gz IQKCBVNHJCMIHI-ZIAGYGMSSA-N 0 3 286.441 2.215 20 30 CEEDHN CN1CCC[C@@H](CNc2snc(Cl)c2C#N)C1 ZINC000092652175 344197693 /nfs/dbraw/zinc/19/76/93/344197693.db2.gz WPHVMKIKTZGBOK-QMMMGPOBSA-N 0 3 270.789 2.422 20 30 CEEDHN Cc1ccsc1CN(C)CCC(=O)N(C)CCC#N ZINC000092792657 344203985 /nfs/dbraw/zinc/20/39/85/344203985.db2.gz HGBCYEPPORSEBY-UHFFFAOYSA-N 0 3 279.409 2.251 20 30 CEEDHN CCN(C[C@H](C)CCC#N)[C@H](C)CS(=O)(=O)CC ZINC000602467398 347044981 /nfs/dbraw/zinc/04/49/81/347044981.db2.gz GIKLOCOTXPNORC-CHWSQXEVSA-N 0 3 274.430 2.071 20 30 CEEDHN CN(CCC1CC1)CC(=O)NC1(C#N)CCCCC1 ZINC000135247959 344380972 /nfs/dbraw/zinc/38/09/72/344380972.db2.gz AHHPYNKXMWGHHX-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN C[C@@H](NC(=O)NC[C@@H]1CCCN1C)c1ccc(C#N)cc1 ZINC000139808180 344395506 /nfs/dbraw/zinc/39/55/06/344395506.db2.gz JZSSMDYDUOYWSF-DOMZBBRYSA-N 0 3 286.379 2.013 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(OCCCO)CC1 ZINC000154924985 344436376 /nfs/dbraw/zinc/43/63/76/344436376.db2.gz OIRGEKTZFPKNIC-AWEZNQCLSA-N 0 3 288.391 2.483 20 30 CEEDHN C=CC1CCN(C[C@@H](O)COc2ccccc2F)CC1 ZINC000171785416 344495742 /nfs/dbraw/zinc/49/57/42/344495742.db2.gz LUJSDUKGWRVJJF-CQSZACIVSA-N 0 3 279.355 2.463 20 30 CEEDHN COc1ccc(OCCNCc2cccc(C#N)n2)cc1 ZINC000602510137 347061901 /nfs/dbraw/zinc/06/19/01/347061901.db2.gz DCLJEWFSEMAQFU-UHFFFAOYSA-N 0 3 283.331 2.130 20 30 CEEDHN C[C@@H](CNCc1cccc(C#N)n1)N1CCCC[C@H]1C ZINC000602514825 347063548 /nfs/dbraw/zinc/06/35/48/347063548.db2.gz MIAAYOAIFSKUJF-KGLIPLIRSA-N 0 3 272.396 2.306 20 30 CEEDHN CC[C@@H](C#N)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309799115 344729654 /nfs/dbraw/zinc/72/96/54/344729654.db2.gz RHIPDJUXRIEUCD-HOTGVXAUSA-N 0 3 285.391 2.269 20 30 CEEDHN N#Cc1cccc(CNCCCCNc2ccccn2)n1 ZINC000602533755 347069245 /nfs/dbraw/zinc/06/92/45/347069245.db2.gz BRDPZMJZDKMCKF-UHFFFAOYSA-N 0 3 281.363 2.330 20 30 CEEDHN C=C[C@H](CO)N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000289680339 344682466 /nfs/dbraw/zinc/68/24/66/344682466.db2.gz HRQYAUBEMVJRAD-TZMCWYRMSA-N 0 3 274.364 2.011 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)c1cccc(F)c1 ZINC000294115364 344693579 /nfs/dbraw/zinc/69/35/79/344693579.db2.gz ZHRWDADTOVSWQM-ZDUSSCGKSA-N 0 3 276.355 2.001 20 30 CEEDHN CC[C@@H]1CN(C)CCCN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000300543165 344700717 /nfs/dbraw/zinc/70/07/17/344700717.db2.gz IVFKRRABFBMCLS-CYBMUJFWSA-N 0 3 288.351 2.387 20 30 CEEDHN C[C@H]1CC(F)(F)CCN1C(=O)[C@@H](N)CCCCC#N ZINC000602546271 347071981 /nfs/dbraw/zinc/07/19/81/347071981.db2.gz IOMVHYYEXWUADE-QWRGUYRKSA-N 0 3 273.327 2.044 20 30 CEEDHN C[C@H](Cc1ccc(O)cc1)NCc1cccc(C#N)n1 ZINC000602547358 347072305 /nfs/dbraw/zinc/07/23/05/347072305.db2.gz CFWQSFDSZOHAPE-GFCCVEGCSA-N 0 3 267.332 2.380 20 30 CEEDHN COc1ccccc1[C@@H](CO)NC1CCC(C#N)CC1 ZINC000602551482 347073213 /nfs/dbraw/zinc/07/32/13/347073213.db2.gz OKNDHWAYNVYJGV-SSDMNJCBSA-N 0 3 274.364 2.401 20 30 CEEDHN Cc1nccn1CCCCNCc1cccc(C#N)n1 ZINC000602552445 347073947 /nfs/dbraw/zinc/07/39/47/347073947.db2.gz XAJNSHGMOMUZOW-UHFFFAOYSA-N 0 3 269.352 2.028 20 30 CEEDHN C=CC[C@@H](C)NCc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602553856 347074603 /nfs/dbraw/zinc/07/46/03/347074603.db2.gz XFQLNVARZKRCID-LLVKDONJSA-N 0 3 279.384 2.430 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@@H](c2ccsc2)C[C@H]1C ZINC000364763492 344812203 /nfs/dbraw/zinc/81/22/03/344812203.db2.gz ZRBOFUZDYSUJIB-DYEKYZERSA-N 0 3 276.405 2.064 20 30 CEEDHN C[C@H]1CCN[C@@H](C(=O)N2CCc3c(CC#N)cccc3C2)C1 ZINC000602573986 347083965 /nfs/dbraw/zinc/08/39/65/347083965.db2.gz PBSMGHWYBBGOGS-SUMWQHHRSA-N 0 3 297.402 2.025 20 30 CEEDHN C[C@@H](CC#N)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390870733 344839040 /nfs/dbraw/zinc/83/90/40/344839040.db2.gz QNCLLUYJDZFGME-DOTOQJQBSA-N 0 3 287.407 2.169 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000424062947 344896805 /nfs/dbraw/zinc/89/68/05/344896805.db2.gz WORYMLOEYPJEBR-CYBMUJFWSA-N 0 3 284.319 2.301 20 30 CEEDHN COc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCC#N)cc1F ZINC000424061830 344896830 /nfs/dbraw/zinc/89/68/30/344896830.db2.gz FNQJVBSFGDTGQX-MFKMUULPSA-N 0 3 293.342 2.033 20 30 CEEDHN CN1CC[C@H](NCc2cccc(C#N)n2)[C@@H]1c1ccccc1 ZINC000602576455 347085608 /nfs/dbraw/zinc/08/56/08/347085608.db2.gz CEPIAXSEZPUUSS-ROUUACIJSA-N 0 3 292.386 2.488 20 30 CEEDHN C=CCCCN(C)Cc1cnc(N2CCCC2)nc1 ZINC000536680068 344932979 /nfs/dbraw/zinc/93/29/79/344932979.db2.gz BJCQJDHZWRKMCV-UHFFFAOYSA-N 0 3 260.385 2.475 20 30 CEEDHN CC[C@@H]1CC[C@H](C)N1CC(=O)N(CC)C[C@H](C)C#N ZINC000357530308 260228536 /nfs/dbraw/zinc/22/85/36/260228536.db2.gz PNEXRFXDXKJCHC-HZSPNIEDSA-N 0 3 265.401 2.257 20 30 CEEDHN C#C[C@@H](C)N(C)C[C@@H](O)COCc1ccccc1Cl ZINC000491804920 344914459 /nfs/dbraw/zinc/91/44/59/344914459.db2.gz MVHKUEFTOWLIPQ-TZMCWYRMSA-N 0 3 281.783 2.171 20 30 CEEDHN CCC[C@@](C)(N)C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602578133 347085525 /nfs/dbraw/zinc/08/55/25/347085525.db2.gz VHOMBVSGLVHOBX-QGZVFWFLSA-N 0 3 285.391 2.155 20 30 CEEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)C1(CO)CC1 ZINC000586782953 345021061 /nfs/dbraw/zinc/02/10/61/345021061.db2.gz YLYBOKKRLJJIGC-UHFFFAOYSA-N 0 3 258.365 2.444 20 30 CEEDHN C=CCN(CCC(=O)NCC)Cc1ccc(OC)cc1 ZINC000054272510 362521994 /nfs/dbraw/zinc/52/19/94/362521994.db2.gz AMWAXMNCMROFBS-UHFFFAOYSA-N 0 3 276.380 2.209 20 30 CEEDHN CC1CCN(CCNC(=O)CCCCCC#N)CC1 ZINC000588294494 345045475 /nfs/dbraw/zinc/04/54/75/345045475.db2.gz RXJUBTVVSDYZPO-UHFFFAOYSA-N 0 3 265.401 2.309 20 30 CEEDHN CN(C)Cc1ccc(NC(=O)c2cccc(C#N)n2)cc1 ZINC000589274012 345074940 /nfs/dbraw/zinc/07/49/40/345074940.db2.gz SLHSZEMBSZFAJE-UHFFFAOYSA-N 0 3 280.331 2.267 20 30 CEEDHN CCN1CCN(Cc2cccc(F)c2C#N)C[C@@H]1C ZINC000589987027 345107446 /nfs/dbraw/zinc/10/74/46/345107446.db2.gz MKKUCBISUUOVNL-LBPRGKRZSA-N 0 3 261.344 2.223 20 30 CEEDHN CN1CC[C@@H]2CN(c3nc(C(C)(C)C)ccc3C#N)C[C@@H]21 ZINC000590720108 345168030 /nfs/dbraw/zinc/16/80/30/345168030.db2.gz NGTYXQOYOCVXKJ-KGLIPLIRSA-N 0 3 284.407 2.391 20 30 CEEDHN CCO[C@@H]1CCCC[C@H]1NCc1ccnc(C#N)c1 ZINC000590764803 345176924 /nfs/dbraw/zinc/17/69/24/345176924.db2.gz PWVUCPRIWMPPEF-HUUCEWRRSA-N 0 3 259.353 2.391 20 30 CEEDHN C[C@H](C#N)N(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000590993836 345210251 /nfs/dbraw/zinc/21/02/51/345210251.db2.gz DXSMPTWGILJQJL-CQSZACIVSA-N 0 3 285.391 2.269 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H](C2CCC2)C1 ZINC000591062126 345215580 /nfs/dbraw/zinc/21/55/80/345215580.db2.gz WUZSSOWVKLWMEY-HOCLYGCPSA-N 0 3 277.412 2.163 20 30 CEEDHN CCCN(C(=O)NCC(C)(C)CCC#N)[C@@H]1CCN(C)C1 ZINC000592022172 345315490 /nfs/dbraw/zinc/31/54/90/345315490.db2.gz UQOQXPGZCSZILL-CQSZACIVSA-N 0 3 294.443 2.442 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCCc2sccc2C1 ZINC000591613675 345269625 /nfs/dbraw/zinc/26/96/25/345269625.db2.gz RENZQFGVQQWUBC-LBPRGKRZSA-N 0 3 277.393 2.044 20 30 CEEDHN Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](N)CCCC#N)CC2 ZINC000591613271 345269747 /nfs/dbraw/zinc/26/97/47/345269747.db2.gz MIITWTVVQXKVBT-LSDHHAIUSA-N 0 3 271.364 2.120 20 30 CEEDHN CCOCC[C@H](O)CNCc1ccc(C#N)c(Cl)c1 ZINC000591765960 345279072 /nfs/dbraw/zinc/27/90/72/345279072.db2.gz VZWBSCZTLPVXSU-ZDUSSCGKSA-N 0 3 282.771 2.089 20 30 CEEDHN C=C(C)CN1CCC(Nc2ncnc3c2CCC3)CC1 ZINC000592109073 345323086 /nfs/dbraw/zinc/32/30/86/345323086.db2.gz NBIRVBVNIDNHEW-UHFFFAOYSA-N 0 3 272.396 2.418 20 30 CEEDHN Cc1cccc2nc(CCNCc3ccc(C#N)o3)cn21 ZINC000592380225 345348022 /nfs/dbraw/zinc/34/80/22/345348022.db2.gz VKGHQDCSRNYOMM-UHFFFAOYSA-N 0 3 280.331 2.440 20 30 CEEDHN C[C@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000592500565 345360983 /nfs/dbraw/zinc/36/09/83/345360983.db2.gz WTWCFHWBVSNEJP-LBPRGKRZSA-N 0 3 269.352 2.223 20 30 CEEDHN C[C@@H](Cc1ccccc1)CN1CC[C@](O)(CC#N)C1 ZINC000592522564 345365241 /nfs/dbraw/zinc/36/52/41/345365241.db2.gz OQYSTTBVIPZDPR-GOEBONIOSA-N 0 3 258.365 2.216 20 30 CEEDHN C[C@@H](Cc1ccsc1)N1CC[C@@](O)(CC#N)C1 ZINC000592522883 345366167 /nfs/dbraw/zinc/36/61/67/345366167.db2.gz SLPOKSCYEFKBSR-AAEUAGOBSA-N 0 3 250.367 2.030 20 30 CEEDHN C[C@@H](CO)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000593081707 345435305 /nfs/dbraw/zinc/43/53/05/345435305.db2.gz HXKXHIAGPJPWLO-ZDUSSCGKSA-N 0 3 258.365 2.399 20 30 CEEDHN CCCN(C(=O)c1cccc(CC#N)c1)[C@H]1CCN(C)C1 ZINC000592830961 345402041 /nfs/dbraw/zinc/40/20/41/345402041.db2.gz JHFAVQHFOWAORF-INIZCTEOSA-N 0 3 285.391 2.309 20 30 CEEDHN C=CCSCCNCc1cnnn1-c1ccccc1 ZINC000593595137 345510752 /nfs/dbraw/zinc/51/07/52/345510752.db2.gz BSZYSWDDCYHQAP-UHFFFAOYSA-N 0 3 274.393 2.276 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000593505320 345500077 /nfs/dbraw/zinc/50/00/77/345500077.db2.gz LQNNWTGXWNXTQV-BZPMIXESSA-N 0 3 288.347 2.203 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000593518140 345502099 /nfs/dbraw/zinc/50/20/99/345502099.db2.gz USVNCZQHFNDIAE-RYUDHWBXSA-N 0 3 282.384 2.409 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](CC(=O)OC)c1ccc(F)cc1 ZINC000593420200 345481827 /nfs/dbraw/zinc/48/18/27/345481827.db2.gz YGADHTSFEPRTQE-GWCFXTLKSA-N 0 3 292.310 2.096 20 30 CEEDHN CC[C@H](C#N)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000593426122 345482791 /nfs/dbraw/zinc/48/27/91/345482791.db2.gz AVKDAZXWNAIXLZ-CQSZACIVSA-N 0 3 291.370 2.266 20 30 CEEDHN CC[C@@H](C#N)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000593426233 345483017 /nfs/dbraw/zinc/48/30/17/345483017.db2.gz FXRHQCKEYXWDTH-HNNXBMFYSA-N 0 3 273.380 2.127 20 30 CEEDHN CCC(C#N)C(=O)N1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000593746823 345531981 /nfs/dbraw/zinc/53/19/81/345531981.db2.gz GFBFSCNQDXQRAF-YNEHKIRRSA-N 0 3 294.395 2.362 20 30 CEEDHN CC(C)OC(=O)C[C@H](NCc1ccc(C#N)cn1)C(C)C ZINC000594041948 345571807 /nfs/dbraw/zinc/57/18/07/345571807.db2.gz BCVJTIPBSOHIEH-HNNXBMFYSA-N 0 3 289.379 2.409 20 30 CEEDHN CCOC(=O)C[C@](C)(NC(=O)C(C#N)CC)C(C)C ZINC000593615414 345513928 /nfs/dbraw/zinc/51/39/28/345513928.db2.gz BMMDHTZWSWROCP-RISCZKNCSA-N 0 3 268.357 2.020 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)N2Cc3ccc(C#N)cc3C2)CCN1C ZINC000594233597 345601593 /nfs/dbraw/zinc/60/15/93/345601593.db2.gz VNVCBVLPPPQKIR-WBMJQRKESA-N 0 3 298.390 2.066 20 30 CEEDHN CCC(C)(C)N1CCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000594240467 345602814 /nfs/dbraw/zinc/60/28/14/345602814.db2.gz VAIPIEIHDIUZME-UHFFFAOYSA-N 0 3 292.427 2.196 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CC[C@@H](C)C1 ZINC000594304129 345610076 /nfs/dbraw/zinc/61/00/76/345610076.db2.gz AVYIPCOVRJIREA-HUUCEWRRSA-N 0 3 299.418 2.195 20 30 CEEDHN CC[C@@H](C(=O)NC1(c2ccc(C#N)cc2)CCC1)N(C)C ZINC000594404059 345621931 /nfs/dbraw/zinc/62/19/31/345621931.db2.gz SNVACGRKUKSJBT-HNNXBMFYSA-N 0 3 285.391 2.394 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594407960 345622312 /nfs/dbraw/zinc/62/23/12/345622312.db2.gz RMVBTCFQRXSSOT-STQMWFEESA-N 0 3 283.375 2.273 20 30 CEEDHN C[C@H](Cn1cncn1)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594495957 345638345 /nfs/dbraw/zinc/63/83/45/345638345.db2.gz GBSZKWMNPMOXEQ-CYBMUJFWSA-N 0 3 283.379 2.258 20 30 CEEDHN CC(C#N)C(=O)N1C[C@H](C)OC2(CCCCC2)C1 ZINC000594415408 345623707 /nfs/dbraw/zinc/62/37/07/345623707.db2.gz ONCZAZVVIIYEMW-NEPJUHHUSA-N 0 3 250.342 2.096 20 30 CEEDHN CN(Cc1ccc(F)cc1)C(=O)[C@H](N)CCCCC#N ZINC000594424981 345625502 /nfs/dbraw/zinc/62/55/02/345625502.db2.gz FOGWWTJRSSMEQE-CQSZACIVSA-N 0 3 277.343 2.195 20 30 CEEDHN COc1ccccc1N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594427159 345626251 /nfs/dbraw/zinc/62/62/51/345626251.db2.gz HOTKFZGNLICHBA-LBPRGKRZSA-N 0 3 275.352 2.069 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000594427166 345626333 /nfs/dbraw/zinc/62/63/33/345626333.db2.gz TVNHRVXJSDWYIN-CQSZACIVSA-N 0 3 297.362 2.426 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCSc1ccccc1 ZINC000594426427 345626572 /nfs/dbraw/zinc/62/65/72/345626572.db2.gz QXZIJEXUDDMTOB-AWEZNQCLSA-N 0 3 291.420 2.306 20 30 CEEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594427050 345626666 /nfs/dbraw/zinc/62/66/66/345626666.db2.gz SJTVHBIYTHKJKW-TZMCWYRMSA-N 0 3 259.353 2.275 20 30 CEEDHN COc1ccc(CN(C)C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594426815 345626751 /nfs/dbraw/zinc/62/67/51/345626751.db2.gz SHRYUARYXRRNGF-HNNXBMFYSA-N 0 3 289.379 2.065 20 30 CEEDHN CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594426834 345626793 /nfs/dbraw/zinc/62/67/93/345626793.db2.gz FPETYCPYUNNEDO-MGPQQGTHSA-N 0 3 265.401 2.483 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCc1cc2ccccc2o1 ZINC000594427633 345627087 /nfs/dbraw/zinc/62/70/87/345627087.db2.gz IXDALAHXZRHZIT-CQSZACIVSA-N 0 3 285.347 2.460 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCC1CCCCC1 ZINC000594430042 345628127 /nfs/dbraw/zinc/62/81/27/345628127.db2.gz XMZRWMFKOIHVBE-CQSZACIVSA-N 0 3 265.401 2.484 20 30 CEEDHN CCC1(CNC(=O)[C@@H](N)CCCCC#N)CCCC1 ZINC000594433027 345629402 /nfs/dbraw/zinc/62/94/02/345629402.db2.gz JOHRNWDIYSOAMU-ZDUSSCGKSA-N 0 3 265.401 2.484 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCCc2sccc2C1 ZINC000594434110 345629438 /nfs/dbraw/zinc/62/94/38/345629438.db2.gz KWQNOTDRNDNINY-ZDUSSCGKSA-N 0 3 291.420 2.434 20 30 CEEDHN CC(C)(C)[C@H](NC(=O)[C@@H](N)CCCCC#N)C(F)(F)F ZINC000594433631 345629468 /nfs/dbraw/zinc/62/94/68/345629468.db2.gz PWOLAMMQHASGNL-ONGXEEELSA-N 0 3 293.333 2.491 20 30 CEEDHN Cc1ccc(NC(=O)[C@H](N)CCCCC#N)c(C)c1O ZINC000594437065 345630815 /nfs/dbraw/zinc/63/08/15/345630815.db2.gz TVJWINPFDBUSGI-GFCCVEGCSA-N 0 3 275.352 2.359 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000594441793 345631136 /nfs/dbraw/zinc/63/11/36/345631136.db2.gz WULFZKYVQRBSFL-HNNXBMFYSA-N 0 3 297.362 2.222 20 30 CEEDHN CC[C@@](C)(NC(=O)[C@@H](N)CCCCC#N)c1nccs1 ZINC000594439930 345631180 /nfs/dbraw/zinc/63/11/80/345631180.db2.gz WLMXRCINPUTTFV-SMDDNHRTSA-N 0 3 294.424 2.296 20 30 CEEDHN CC(C)(C)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594440166 345631371 /nfs/dbraw/zinc/63/13/71/345631371.db2.gz VIIVWTXMKLBLGR-STQMWFEESA-N 0 3 265.401 2.435 20 30 CEEDHN CCN(C(=O)[C@H](N)CCCCC#N)c1nc(C)cs1 ZINC000594444124 345632112 /nfs/dbraw/zinc/63/21/12/345632112.db2.gz LDQIWRFMGOSBDI-LLVKDONJSA-N 0 3 280.397 2.216 20 30 CEEDHN CCCC1(CNC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594445685 345632650 /nfs/dbraw/zinc/63/26/50/345632650.db2.gz KACCCHGSIITKTJ-LBPRGKRZSA-N 0 3 251.374 2.094 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594447019 345632695 /nfs/dbraw/zinc/63/26/95/345632695.db2.gz RRWATMPTIOSJOK-UPJWGTAASA-N 0 3 251.374 2.045 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000594449328 345634048 /nfs/dbraw/zinc/63/40/48/345634048.db2.gz GNYXWFAJEDLFRG-ZNMIVQPWSA-N 0 3 277.412 2.483 20 30 CEEDHN CCN(C)C(=O)[C@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594504487 345639532 /nfs/dbraw/zinc/63/95/32/345639532.db2.gz OVAIFOZKFUCUTN-ZDUSSCGKSA-N 0 3 287.407 2.444 20 30 CEEDHN CCC(C)(C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000594594033 345654403 /nfs/dbraw/zinc/65/44/03/345654403.db2.gz IPODECFOBLPVLX-UHFFFAOYSA-N 0 3 258.369 2.264 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2cccnc2N2CCCC2)C1 ZINC000595072294 345739756 /nfs/dbraw/zinc/73/97/56/345739756.db2.gz RHXUTBNRXCSUFU-HIFRSBDPSA-N 0 3 270.380 2.464 20 30 CEEDHN CS(=O)(=O)C1(CN[C@H]2CC[C@@H](C#N)C2)CCCCC1 ZINC000595078003 345740317 /nfs/dbraw/zinc/74/03/17/345740317.db2.gz RJVPEHMUILNQCK-OLZOCXBDSA-N 0 3 284.425 2.016 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc2occc2c1 ZINC000595257133 345749741 /nfs/dbraw/zinc/74/97/41/345749741.db2.gz QSJXMIWDKFEMNB-AWEZNQCLSA-N 0 3 285.347 2.460 20 30 CEEDHN N#CC1(CNC(=O)[C@@H](N)Cc2ccccc2)CCCCC1 ZINC000595257888 345750079 /nfs/dbraw/zinc/75/00/79/345750079.db2.gz BMNJUEYHNJHRNA-HNNXBMFYSA-N 0 3 285.391 2.147 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N(C(=O)[C@@H](N)CCCC#N)C1 ZINC000595257606 345750099 /nfs/dbraw/zinc/75/00/99/345750099.db2.gz MIWGBXLZMYALOW-UPJWGTAASA-N 0 3 251.374 2.045 20 30 CEEDHN CCOc1ccc(NC(=O)[C@H](N)CCCCC#N)nc1C ZINC000595258639 345750189 /nfs/dbraw/zinc/75/01/89/345750189.db2.gz DVDKXSOERMMDID-GFCCVEGCSA-N 0 3 290.367 2.139 20 30 CEEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1CCC(F)CC1 ZINC000595259300 345750860 /nfs/dbraw/zinc/75/08/60/345750860.db2.gz JKJOPSMDSCHVPF-RYSNWHEDSA-N 0 3 283.391 2.431 20 30 CEEDHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000594915676 345700713 /nfs/dbraw/zinc/70/07/13/345700713.db2.gz VXDAFKDJNCKORG-YIKOMLBNSA-N 0 3 272.348 2.406 20 30 CEEDHN CCc1nncn1CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594930366 345706353 /nfs/dbraw/zinc/70/63/53/345706353.db2.gz VMVFOMDJAMEFSN-UHFFFAOYSA-N 0 3 295.390 2.185 20 30 CEEDHN C[S@@](=O)C1(CNCc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594934977 345708212 /nfs/dbraw/zinc/70/82/12/345708212.db2.gz ANLOWSQEUXAJAC-HXUWFJFHSA-N 0 3 288.416 2.242 20 30 CEEDHN Cn1ncc(C2CCC2)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000594946619 345713242 /nfs/dbraw/zinc/71/32/42/345713242.db2.gz QXQAOLBZLKUEKN-WCQYABFASA-N 0 3 258.369 2.469 20 30 CEEDHN N#CC[C@@H]1CC[C@H](NCc2cn(C3CCC3)nn2)C1 ZINC000594951994 345714486 /nfs/dbraw/zinc/71/44/86/345714486.db2.gz DEKHQNLRSXNMMA-RYUDHWBXSA-N 0 3 259.357 2.175 20 30 CEEDHN C=CCCSCCNCc1ccc(S(C)(=O)=O)cc1 ZINC000594959749 345717291 /nfs/dbraw/zinc/71/72/91/345717291.db2.gz BRQQQKRIGHFTSA-UHFFFAOYSA-N 0 3 299.461 2.489 20 30 CEEDHN C[S@](=O)[C@H]1CCC[C@@H](NCc2cccc(C#N)c2)C1 ZINC000594962715 345717712 /nfs/dbraw/zinc/71/77/12/345717712.db2.gz GCYUCVSTEWLYRT-VCBZYWHSSA-N 0 3 276.405 2.338 20 30 CEEDHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2ccccc2C#N)C1 ZINC000594966446 345719261 /nfs/dbraw/zinc/71/92/61/345719261.db2.gz RXAQHYHTFBKTFF-IAOVAPTHSA-N 0 3 288.391 2.214 20 30 CEEDHN CC(C)(F)CCNCc1cnc2ccc(C#N)cn12 ZINC000594972264 345720284 /nfs/dbraw/zinc/72/02/84/345720284.db2.gz ATMJUSHNEIPLOV-UHFFFAOYSA-N 0 3 260.316 2.434 20 30 CEEDHN N#Cc1csc(CNC[C@@H](CO)CC2CC2)c1 ZINC000594985216 345722023 /nfs/dbraw/zinc/72/20/23/345722023.db2.gz ZHZISOPTXJLECD-LBPRGKRZSA-N 0 3 250.367 2.118 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2C[C@@H](O)C23CCC3)cc1F ZINC000594987442 345722124 /nfs/dbraw/zinc/72/21/24/345722124.db2.gz KMEWOTMLAMKRSH-ZIAGYGMSSA-N 0 3 260.312 2.090 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595034267 345731589 /nfs/dbraw/zinc/73/15/89/345731589.db2.gz UASTZDHFAXDQQR-WDEREUQCSA-N 0 3 280.324 2.191 20 30 CEEDHN COC[C@@H](CCN[C@H](C)c1ccc(C#N)cc1F)OC ZINC000595059955 345736895 /nfs/dbraw/zinc/73/68/95/345736895.db2.gz JGHCPRYSAYDWFE-DGCLKSJQSA-N 0 3 280.343 2.399 20 30 CEEDHN CN1c2ccccc2C[C@@H](N[C@@H]2CCC[C@@H](C#N)C2)C1=O ZINC000595059556 345736913 /nfs/dbraw/zinc/73/69/13/345736913.db2.gz FELOUHJUMUHJJZ-BPLDGKMQSA-N 0 3 283.375 2.246 20 30 CEEDHN CN1CCC[C@H](CNC(=O)NCC2(C#N)CCCCC2)C1 ZINC000595548325 345809433 /nfs/dbraw/zinc/80/94/33/345809433.db2.gz WDJOQZQPUQZHHT-CQSZACIVSA-N 0 3 292.427 2.101 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)NCC2(C#N)CCCCC2)CCN1C ZINC000595551712 345810977 /nfs/dbraw/zinc/81/09/77/345810977.db2.gz KEAWLEMOPSEETA-ZIAGYGMSSA-N 0 3 292.427 2.242 20 30 CEEDHN C=CCCSCCNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000595554882 345811439 /nfs/dbraw/zinc/81/14/39/345811439.db2.gz GOCPLKVAOGUODJ-JSGCOSHPSA-N 0 3 297.468 2.078 20 30 CEEDHN CN(CCC(C)(C)C#N)[C@H](CO)Cc1ccccc1 ZINC000595590719 345819872 /nfs/dbraw/zinc/81/98/72/345819872.db2.gz AYELRSDADUOPGI-HNNXBMFYSA-N 0 3 260.381 2.462 20 30 CEEDHN C[C@@H]1CN(c2nccnc2C#N)CCN1CCC1CCC1 ZINC000595340124 345765173 /nfs/dbraw/zinc/76/51/73/345765173.db2.gz VYZGAOMTABQUBD-CYBMUJFWSA-N 0 3 285.395 2.049 20 30 CEEDHN N#CCC1CCN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000595424616 345778930 /nfs/dbraw/zinc/77/89/30/345778930.db2.gz HIFBKAQBIDDQJZ-SOUVJXGZSA-N 0 3 275.396 2.059 20 30 CEEDHN COCC1(NCc2ccc(CC#N)cc2)CCOCC1 ZINC000595498527 345796295 /nfs/dbraw/zinc/79/62/95/345796295.db2.gz DTBPRSZFHRCYMH-UHFFFAOYSA-N 0 3 274.364 2.038 20 30 CEEDHN N#CC[C@@H]1CCCN(C[C@H](O)COc2ccccc2)C1 ZINC000595609213 345825825 /nfs/dbraw/zinc/82/58/25/345825825.db2.gz HXTFKIHAIFNLGC-GJZGRUSLSA-N 0 3 274.364 2.052 20 30 CEEDHN Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](CC#N)C1 ZINC000595609506 345826130 /nfs/dbraw/zinc/82/61/30/345826130.db2.gz LHELJHZAQNYVRP-JKSUJKDBSA-N 0 3 288.391 2.360 20 30 CEEDHN CC(C)(C)OC(=O)CCN1CCC[C@@H](CC#N)C1 ZINC000595613631 345826988 /nfs/dbraw/zinc/82/69/88/345826988.db2.gz FXKJJBCOJWSGKP-LBPRGKRZSA-N 0 3 252.358 2.344 20 30 CEEDHN N#CC[C@H]1CCCN(C[C@@H](O)COCc2cccs2)C1 ZINC000595610001 345827036 /nfs/dbraw/zinc/82/70/36/345827036.db2.gz RKLPPYXEYAWEJR-ZIAGYGMSSA-N 0 3 294.420 2.251 20 30 CEEDHN C[C@@H]1CCCN1C(=O)CCN1CCC[C@H](CC#N)C1 ZINC000595615126 345828295 /nfs/dbraw/zinc/82/82/95/345828295.db2.gz PADUVNWEKDZDSJ-ZIAGYGMSSA-N 0 3 263.385 2.013 20 30 CEEDHN CC(C)CC1(NCC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000595832117 345889482 /nfs/dbraw/zinc/88/94/82/345889482.db2.gz BOHIIBFDHLZZRO-CQSZACIVSA-N 0 3 265.401 2.209 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@](O)(C2CC2)C1 ZINC000595751470 345866465 /nfs/dbraw/zinc/86/64/65/345866465.db2.gz QZBFJYVYFKMBGF-QGZVFWFLSA-N 0 3 286.375 2.304 20 30 CEEDHN C=CCN(CC(=O)NC(=O)NC1CCCCC1)C(C)(C)C ZINC000595764889 345870127 /nfs/dbraw/zinc/87/01/27/345870127.db2.gz GFUYQPKXMWVYKE-UHFFFAOYSA-N 0 3 295.427 2.431 20 30 CEEDHN Cn1cc(C[C@H]2CCC[C@@H]2NCC2(C#N)CCC2)cn1 ZINC000595771979 345872450 /nfs/dbraw/zinc/87/24/50/345872450.db2.gz RHGNSYCEZDKFHS-CABCVRRESA-N 0 3 272.396 2.415 20 30 CEEDHN CN(C)[C@H](CNc1c(C#N)cnn1C)c1ccccc1 ZINC000596056496 345929740 /nfs/dbraw/zinc/92/97/40/345929740.db2.gz WVZBMYRALGYUNI-CQSZACIVSA-N 0 3 269.352 2.007 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000595960497 345918145 /nfs/dbraw/zinc/91/81/45/345918145.db2.gz UOTFWYHEBLSESJ-HZPDHXFCSA-N 0 3 285.391 2.414 20 30 CEEDHN N#CC1(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CCCC1 ZINC000595967021 345918728 /nfs/dbraw/zinc/91/87/28/345918728.db2.gz WWXDKZMCZPNKHN-HNNXBMFYSA-N 0 3 299.374 2.370 20 30 CEEDHN CC(C)(C(=O)N1CC[C@](C)(C#N)C1)[C@@H](N)c1ccccc1 ZINC000595979496 345920705 /nfs/dbraw/zinc/92/07/05/345920705.db2.gz ANJWRABCLPQHMU-WMLDXEAASA-N 0 3 285.391 2.475 20 30 CEEDHN CCc1nc(C#N)cc(NC[C@@H](C)N2CCCC[C@H]2C)n1 ZINC000596073680 345933340 /nfs/dbraw/zinc/93/33/40/345933340.db2.gz LOFOKELZIPFOIG-CHWSQXEVSA-N 0 3 287.411 2.007 20 30 CEEDHN CC[C@@H](C)[N@H+](C)CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596105922 345940822 /nfs/dbraw/zinc/94/08/22/345940822.db2.gz QPSZIRKNCQFEBD-MRVPVSSYSA-N 0 3 272.805 2.232 20 30 CEEDHN CC[C@@H](C)[N@@H+](C)CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596105922 345940824 /nfs/dbraw/zinc/94/08/24/345940824.db2.gz QPSZIRKNCQFEBD-MRVPVSSYSA-N 0 3 272.805 2.232 20 30 CEEDHN CN1CCN(c2ccncc2C#N)CC12CCCCC2 ZINC000596251079 345980455 /nfs/dbraw/zinc/98/04/55/345980455.db2.gz LUAQMJJPSWYYCY-UHFFFAOYSA-N 0 3 270.380 2.408 20 30 CEEDHN CN(CC1CN(C)C1)c1cccc(Br)c1C#N ZINC000596453405 346028012 /nfs/dbraw/zinc/02/80/12/346028012.db2.gz LKUIBONRKQOODN-UHFFFAOYSA-N 0 3 294.196 2.319 20 30 CEEDHN CC(C)[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2)CCN1 ZINC000596501194 346040415 /nfs/dbraw/zinc/04/04/15/346040415.db2.gz LAYIXJJVTFINPT-AWEZNQCLSA-N 0 3 272.352 2.020 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)CC1(C#N)CCCCC1 ZINC000596674668 346075900 /nfs/dbraw/zinc/07/59/00/346075900.db2.gz SKGIXYZGVXCTDS-AWEZNQCLSA-N 0 3 277.412 2.451 20 30 CEEDHN C=CCCSCCNC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000596716876 346079584 /nfs/dbraw/zinc/07/95/84/346079584.db2.gz CHJGEHRJRKSESN-CQSZACIVSA-N 0 3 299.484 2.421 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000596730142 346081697 /nfs/dbraw/zinc/08/16/97/346081697.db2.gz SUOUSKDAJABVOE-GDBMZVCRSA-N 0 3 285.391 2.489 20 30 CEEDHN C[C@@H](CNC(=O)CC1(C#N)CCCCC1)N(C)C1CC1 ZINC000597115987 346130030 /nfs/dbraw/zinc/13/00/30/346130030.db2.gz BDUIYRJAVRIEJZ-ZDUSSCGKSA-N 0 3 277.412 2.449 20 30 CEEDHN COC(=O)CC(C)(C)C[C@@H](C)NCC1(C#N)CC1 ZINC000597121775 346130909 /nfs/dbraw/zinc/13/09/09/346130909.db2.gz TXGWQOQEFUUDEE-LLVKDONJSA-N 0 3 252.358 2.248 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)CC2(C#N)CCCCC2)CCN1C ZINC000597293789 346168588 /nfs/dbraw/zinc/16/85/88/346168588.db2.gz HVDCICGJXGCTRX-KBPBESRZSA-N 0 3 277.412 2.449 20 30 CEEDHN C[C@H](CC#N)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000597314772 346170506 /nfs/dbraw/zinc/17/05/06/346170506.db2.gz XPLACPMNGHIGLE-GDBMZVCRSA-N 0 3 285.391 2.269 20 30 CEEDHN CC(C)(CCC#N)CN1CCc2c(cccc2C(N)=O)C1 ZINC000597247242 346160975 /nfs/dbraw/zinc/16/09/75/346160975.db2.gz DRVOTDHAFDBLCC-UHFFFAOYSA-N 0 3 285.391 2.474 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000597524508 346198624 /nfs/dbraw/zinc/19/86/24/346198624.db2.gz ZCZACSWXTRRMJI-UMVBOHGHSA-N 0 3 273.380 2.344 20 30 CEEDHN CC[C@@H]1CN(C)CCCN1C(=O)CCCCC#N ZINC000597606596 346207144 /nfs/dbraw/zinc/20/71/44/346207144.db2.gz XOHCYKCEGSELDA-CYBMUJFWSA-N 0 3 251.374 2.013 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000597854250 346238216 /nfs/dbraw/zinc/23/82/16/346238216.db2.gz YOJLTWWNAPYIBJ-OCCSQVGLSA-N 0 3 272.348 2.166 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000597860189 346240429 /nfs/dbraw/zinc/24/04/29/346240429.db2.gz LJWVUYXQEXCCKH-GUYCJALGSA-N 0 3 289.423 2.449 20 30 CEEDHN CN(CCC(=O)N1CCC[C@H](CC#N)C1)c1ccncc1 ZINC000597905574 346250179 /nfs/dbraw/zinc/25/01/79/346250179.db2.gz GELKNYZTSVYKRT-CQSZACIVSA-N 0 3 286.379 2.060 20 30 CEEDHN CCN(C(=O)CCCCC#N)[C@H]1CCN(CC)C1 ZINC000598041207 346274033 /nfs/dbraw/zinc/27/40/33/346274033.db2.gz RUUQYGOKDGWNKM-ZDUSSCGKSA-N 0 3 251.374 2.013 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000598116584 346292072 /nfs/dbraw/zinc/29/20/72/346292072.db2.gz PSQWZIUNNVAERP-IUCAKERBSA-N 0 3 298.268 2.319 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000598344069 346332052 /nfs/dbraw/zinc/33/20/52/346332052.db2.gz ZNLXRWOANASIJM-MRXNPFEDSA-N 0 3 297.402 2.456 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000598261710 346315780 /nfs/dbraw/zinc/31/57/80/346315780.db2.gz UFFABSDHZCDWEI-UKRRQHHQSA-N 0 3 265.401 2.163 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCC1(C#N)CCCCC1 ZINC000598303598 346322525 /nfs/dbraw/zinc/32/25/25/346322525.db2.gz BLBOHCWSCVAPIX-OKILXGFUSA-N 0 3 277.412 2.449 20 30 CEEDHN CCC(C)(C)CCNC(=O)[C@@H](N)CCCCC#N ZINC000602586795 347090343 /nfs/dbraw/zinc/09/03/43/347090343.db2.gz VSKUOYFFIBZKMH-LBPRGKRZSA-N 0 3 253.390 2.340 20 30 CEEDHN CC(C)[C@@H]1CN(C(=O)[C@H](C#N)CCc2ccccc2)CCN1 ZINC000598571997 346376146 /nfs/dbraw/zinc/37/61/46/346376146.db2.gz JPKFHZMIURIZGB-IRXDYDNUSA-N 0 3 299.418 2.215 20 30 CEEDHN CC(C)[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CCN1 ZINC000598573803 346376465 /nfs/dbraw/zinc/37/64/65/346376465.db2.gz OUQRVGRCZZVWTR-INIZCTEOSA-N 0 3 297.402 2.046 20 30 CEEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)CC(C)(C)C#N ZINC000598585835 346377995 /nfs/dbraw/zinc/37/79/95/346377995.db2.gz BIDMLVHIGGPSFN-OAHLLOKOSA-N 0 3 271.364 2.291 20 30 CEEDHN CCN(Cc1ccccn1)C[C@H](O)CC(C)(C)C#N ZINC000598593407 346380181 /nfs/dbraw/zinc/38/01/81/346380181.db2.gz SPYBHUQKRKKXGD-CQSZACIVSA-N 0 3 261.369 2.204 20 30 CEEDHN Cc1cnc(CCN(C)C[C@H](O)CC(C)(C)C#N)s1 ZINC000598595167 346380583 /nfs/dbraw/zinc/38/05/83/346380583.db2.gz CMBHHGIEQDLTNN-GFCCVEGCSA-N 0 3 281.425 2.227 20 30 CEEDHN CN(C[C@H](O)CC(C)(C)C#N)[C@@H](CCO)c1ccccc1 ZINC000598596571 346380915 /nfs/dbraw/zinc/38/09/15/346380915.db2.gz SUKCBXJWMJPWSM-CVEARBPZSA-N 0 3 290.407 2.343 20 30 CEEDHN Cc1n[nH]c(C)c1[C@H]1CCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598601103 346381910 /nfs/dbraw/zinc/38/19/10/346381910.db2.gz ZDWFIEFOEQITDK-UONOGXRCSA-N 0 3 290.411 2.464 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCOCC2(CCCC2)C1 ZINC000598610110 346383438 /nfs/dbraw/zinc/38/34/38/346383438.db2.gz XGWGFPCSBOWVTJ-AWEZNQCLSA-N 0 3 280.412 2.180 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC2(CC2(F)F)CC1 ZINC000598622315 346387324 /nfs/dbraw/zinc/38/73/24/346387324.db2.gz HRDHLOGJWYCIHH-LLVKDONJSA-N 0 3 272.339 2.408 20 30 CEEDHN COc1nc(C)cc(C)c1CNC[C@@H](O)CC(C)(C)C#N ZINC000598718447 346406958 /nfs/dbraw/zinc/40/69/58/346406958.db2.gz BKHMXNCIIORGHQ-ZDUSSCGKSA-N 0 3 291.395 2.097 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(C#N)cc1F ZINC000598721137 346408123 /nfs/dbraw/zinc/40/81/23/346408123.db2.gz STXSGJVXFZVICJ-ZDUSSCGKSA-N 0 3 275.327 2.088 20 30 CEEDHN Cn1ncc2c1CN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000598938420 346434884 /nfs/dbraw/zinc/43/48/84/346434884.db2.gz DXZCCBOGTKCSPU-AWEZNQCLSA-N 0 3 294.358 2.035 20 30 CEEDHN Cc1nc(N2CCc3nccc(N)c3C2)c(Cl)cc1C#N ZINC000598940846 346435046 /nfs/dbraw/zinc/43/50/46/346435046.db2.gz AURUTOASRRDSKR-UHFFFAOYSA-N 0 3 299.765 2.455 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1 ZINC000598998709 346444062 /nfs/dbraw/zinc/44/40/62/346444062.db2.gz VWPVUOMKJWXLOQ-WBVHZDCISA-N 0 3 295.342 2.279 20 30 CEEDHN CCC(C#N)(CC)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000599072610 346456077 /nfs/dbraw/zinc/45/60/77/346456077.db2.gz KSIFVXKNDDEXHT-CYBMUJFWSA-N 0 3 265.401 2.164 20 30 CEEDHN CN(Cc1ccsc1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599257771 346485627 /nfs/dbraw/zinc/48/56/27/346485627.db2.gz LUFHGCFXCLOTAT-CQSZACIVSA-N 0 3 294.420 2.251 20 30 CEEDHN N#Cc1cc(C(F)(F)F)ccc1NCCN1CC[C@@H](O)C1 ZINC000599176805 346473894 /nfs/dbraw/zinc/47/38/94/346473894.db2.gz ZBVRJJIJVOOVSE-GFCCVEGCSA-N 0 3 299.296 2.056 20 30 CEEDHN Cc1ccc(CN(C)CCn2cccn2)cc1C#N ZINC000599290921 346491916 /nfs/dbraw/zinc/49/19/16/346491916.db2.gz FDSJMABIQVKHJD-UHFFFAOYSA-N 0 3 254.337 2.195 20 30 CEEDHN C=CC[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599526935 346532063 /nfs/dbraw/zinc/53/20/63/346532063.db2.gz XHLAOSAZQDZBQL-LLVKDONJSA-N 0 3 289.335 2.092 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000599526043 346532350 /nfs/dbraw/zinc/53/23/50/346532350.db2.gz CHZPQYORQOFLKB-CYBMUJFWSA-N 0 3 293.411 2.043 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)CC1(C)COC1 ZINC000599571337 346540071 /nfs/dbraw/zinc/54/00/71/346540071.db2.gz CJVSWGMWMOUOJR-UHFFFAOYSA-N 0 3 260.337 2.035 20 30 CEEDHN C=CCSCCNCc1cccc(C(=O)OCC)n1 ZINC000600132914 346602655 /nfs/dbraw/zinc/60/26/55/346602655.db2.gz OGKQIGWYMVDKIH-UHFFFAOYSA-N 0 3 280.393 2.267 20 30 CEEDHN CC[C@H](CC#N)NC1CCC(CC(=O)OC)CC1 ZINC000600151760 346608096 /nfs/dbraw/zinc/60/80/96/346608096.db2.gz PMDZGHJEXCFODC-OTTFEQOBSA-N 0 3 252.358 2.390 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000129162523 365831835 /nfs/dbraw/zinc/83/18/35/365831835.db2.gz RFPOZURZGXPWCN-JSGCOSHPSA-N 0 3 283.375 2.222 20 30 CEEDHN Cc1ccc([C@@H](C)CN2CC[C@](O)(CC#N)C2)cc1 ZINC000600167595 346611828 /nfs/dbraw/zinc/61/18/28/346611828.db2.gz POIAPKMMXGLOMS-GOEBONIOSA-N 0 3 258.365 2.449 20 30 CEEDHN C=CCOc1ccccc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600727664 346679561 /nfs/dbraw/zinc/67/95/61/346679561.db2.gz PUILFCFFJGIOJV-HNNXBMFYSA-N 0 3 286.375 2.396 20 30 CEEDHN C[C@@H]1Oc2ccccc2[C@H]1NC[C@H](O)CC1(C#N)CC1 ZINC000600741026 346682678 /nfs/dbraw/zinc/68/26/78/346682678.db2.gz METHLSQINUMEAZ-ZOWXZIJZSA-N 0 3 272.348 2.153 20 30 CEEDHN N#CC1(C[C@H](O)CNCc2cnccc2C(F)(F)F)CC1 ZINC000600745981 346683422 /nfs/dbraw/zinc/68/34/22/346683422.db2.gz RMJCGSBAEAYMFR-NSHDSACASA-N 0 3 299.296 2.245 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CNCC1(C#N)CCCCC1 ZINC000600752715 346684343 /nfs/dbraw/zinc/68/43/43/346684343.db2.gz GMSRDMZFICHLFZ-ZDUSSCGKSA-N 0 3 263.385 2.351 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H](CC)C2)CC1 ZINC000129399893 365854780 /nfs/dbraw/zinc/85/47/80/365854780.db2.gz YQOTWJSUAMYVQJ-ZBFHGGJFSA-N 0 3 276.424 2.417 20 30 CEEDHN C[C@H](CCC#N)CN1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000602641876 347118886 /nfs/dbraw/zinc/11/88/86/347118886.db2.gz GCWLAMJALNZPSK-QLFBSQMISA-N 0 3 266.385 2.196 20 30 CEEDHN CC[C@@](C)(CN1CC[C@H](Oc2ccc(C#N)cn2)C1)OC ZINC000602673386 347136092 /nfs/dbraw/zinc/13/60/92/347136092.db2.gz UNBLFZBGPPPRKH-HOCLYGCPSA-N 0 3 289.379 2.221 20 30 CEEDHN CC[C@](C)(CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)OC ZINC000602673380 347136239 /nfs/dbraw/zinc/13/62/39/347136239.db2.gz UNBLFZBGPPPRKH-GDBMZVCRSA-N 0 3 289.379 2.221 20 30 CEEDHN C[C@H](CCC#N)CN1CCCC[C@@H]1CCS(C)(=O)=O ZINC000602674758 347137134 /nfs/dbraw/zinc/13/71/34/347137134.db2.gz YTLJMBFIDYIDDZ-ZIAGYGMSSA-N 0 3 286.441 2.215 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)n1 ZINC000602676489 347137862 /nfs/dbraw/zinc/13/78/62/347137862.db2.gz QUKNTVUIDGRVGN-ARFHVFGLSA-N 0 3 271.364 2.079 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCO[C@H](c3ccncc3)C2)n1 ZINC000602682581 347142681 /nfs/dbraw/zinc/14/26/81/347142681.db2.gz MMOLTVXTVBBJHK-PBHICJAKSA-N 0 3 294.358 2.358 20 30 CEEDHN CC(C)[C@@H](NCc1cccc(C#N)n1)[C@@H](CO)C(C)C ZINC000602684806 347144537 /nfs/dbraw/zinc/14/45/37/347144537.db2.gz IKZYITPUUZYJOU-JKSUJKDBSA-N 0 3 275.396 2.332 20 30 CEEDHN CC(C)[C@H](NCc1cccc(C#N)n1)C1(CO)CC=CC1 ZINC000602695660 347152756 /nfs/dbraw/zinc/15/27/56/347152756.db2.gz GIDVRDWNVPWOIP-INIZCTEOSA-N 0 3 285.391 2.396 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCCN3CCCC[C@@H]23)n1 ZINC000602706106 347160005 /nfs/dbraw/zinc/16/00/05/347160005.db2.gz ARJIJGHYZGTVRK-HOTGVXAUSA-N 0 3 270.380 2.060 20 30 CEEDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1cccc(C#N)n1 ZINC000602663229 347130403 /nfs/dbraw/zinc/13/04/03/347130403.db2.gz RDGDHOAHDOLSIP-BBRMVZONSA-N 0 3 273.380 2.469 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)n1 ZINC000602664316 347130419 /nfs/dbraw/zinc/13/04/19/347130419.db2.gz UIGOCPGARJJZNO-GVDBMIGSSA-N 0 3 261.328 2.381 20 30 CEEDHN C=CCN1CCC(NC(=O)CO[C@H]2CCC[C@@H](C)C2)CC1 ZINC000602768094 347190367 /nfs/dbraw/zinc/19/03/67/347190367.db2.gz UEZOWSQLARICLK-ZBFHGGJFSA-N 0 3 294.439 2.348 20 30 CEEDHN Cc1ccc(CN(CCO)CC2(CC#N)CC2)cc1 ZINC000602804175 347206788 /nfs/dbraw/zinc/20/67/88/347206788.db2.gz JIHBUCFILDVPRG-UHFFFAOYSA-N 0 3 258.365 2.483 20 30 CEEDHN C[C@](CO)(Cc1ccc(F)cc1)NCc1cccc(C#N)n1 ZINC000602741428 347182007 /nfs/dbraw/zinc/18/20/07/347182007.db2.gz MLFBKDPVACBQTR-QGZVFWFLSA-N 0 3 299.349 2.176 20 30 CEEDHN N#CCC1(CN2CCCN(CC3(CC#N)CC3)CC2)CC1 ZINC000602766637 347189326 /nfs/dbraw/zinc/18/93/26/347189326.db2.gz OBZFSOKSBKDHPR-UHFFFAOYSA-N 0 3 286.423 2.382 20 30 CEEDHN C[C@@H]1CN(C[C@@H]2CCCN2CC2(CC#N)CC2)C[C@@H](C)O1 ZINC000602767822 347189547 /nfs/dbraw/zinc/18/95/47/347189547.db2.gz GQHFAOGLNBLQFO-OAGGEKHMSA-N 0 3 291.439 2.254 20 30 CEEDHN CN(C)C(=O)C1(NCC2(CC#N)CC2)CCCCC1 ZINC000602839537 347220069 /nfs/dbraw/zinc/22/00/69/347220069.db2.gz GPOSMDMGGQYNOP-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN N#Cc1ccc(C2(NC[C@H]3CCc4ncnn43)CCC2)cc1 ZINC000602874441 347233576 /nfs/dbraw/zinc/23/35/76/347233576.db2.gz QDQWBMFHQDUVSS-OAHLLOKOSA-N 0 3 293.374 2.306 20 30 CEEDHN CN(C)C[C@H]1COC2(CCCC2)CN1CCCCC#N ZINC000602912782 347245642 /nfs/dbraw/zinc/24/56/42/347245642.db2.gz JQDAOTALENURLM-HNNXBMFYSA-N 0 3 279.428 2.255 20 30 CEEDHN CCOC(=O)CCCCN(C)[C@@H]1CCC[C@H]1C#N ZINC000602978945 347263142 /nfs/dbraw/zinc/26/31/42/347263142.db2.gz ZASAQXAGIHWKGK-QWHCGFSZSA-N 0 3 252.358 2.344 20 30 CEEDHN CN(C)C1(CNc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000603397830 347358307 /nfs/dbraw/zinc/35/83/07/347358307.db2.gz GNZGYCPQPFEQJU-UHFFFAOYSA-N 0 3 281.363 2.250 20 30 CEEDHN CCCN1CCN(c2ccc(C#N)cc2COC)CC1 ZINC000603276593 347327070 /nfs/dbraw/zinc/32/70/70/347327070.db2.gz QGOBFSOENYOJRN-UHFFFAOYSA-N 0 3 273.380 2.237 20 30 CEEDHN CN(CCCN(C)c1ccncc1C#N)Cc1ccncc1 ZINC000603399134 347358828 /nfs/dbraw/zinc/35/88/28/347358828.db2.gz FRZDBMYFMWMUJC-UHFFFAOYSA-N 0 3 295.390 2.307 20 30 CEEDHN CCC[C@H](N)c1cn(Cc2ccc(OC)c(C#N)c2)nn1 ZINC000603228761 347315997 /nfs/dbraw/zinc/31/59/97/347315997.db2.gz GSNWMNHQTSHQKF-ZDUSSCGKSA-N 0 3 285.351 2.007 20 30 CEEDHN CC(C)[C@H](N)c1cn([C@@H](C)c2cccc(C#N)c2)nn1 ZINC000603231937 347317306 /nfs/dbraw/zinc/31/73/06/347317306.db2.gz DLHOOWNCDDYZOO-NHYWBVRUSA-N 0 3 269.352 2.415 20 30 CEEDHN Cc1cc(Cn2cc([C@H](N)C(C)C)nn2)ccc1C#N ZINC000603233838 347318250 /nfs/dbraw/zinc/31/82/50/347318250.db2.gz CWKQKTAMSPZCFC-OAHLLOKOSA-N 0 3 269.352 2.162 20 30 CEEDHN CC(C)(C)c1ccc(C#N)c(NC[C@@H]2CSCCN2)n1 ZINC000603417776 347365041 /nfs/dbraw/zinc/36/50/41/347365041.db2.gz AVMWILBLTQMHNS-GFCCVEGCSA-N 0 3 290.436 2.368 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@@H](C)C(C)(C)C ZINC000603873268 347394314 /nfs/dbraw/zinc/39/43/14/347394314.db2.gz FZAAGJWMEHOPPR-STQMWFEESA-N 0 3 267.417 2.361 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000065598802 362839715 /nfs/dbraw/zinc/83/97/15/362839715.db2.gz OPLDOBTVHKJFMW-UHFFFAOYSA-N 0 3 259.353 2.459 20 30 CEEDHN C=CCCCCCN(C)CC(=O)N(C)Cc1cnn(C)c1 ZINC000606902240 347499693 /nfs/dbraw/zinc/49/96/93/347499693.db2.gz FKWWNHWXOABAHK-UHFFFAOYSA-N 0 3 292.427 2.057 20 30 CEEDHN CCO[C@@H]1C[C@H](N(C)C(=O)C(C)C#N)C12CCCC2 ZINC000610164068 347662398 /nfs/dbraw/zinc/66/23/98/347662398.db2.gz ZZEUDCMDHYMLJN-FRRDWIJNSA-N 0 3 264.369 2.342 20 30 CEEDHN CCn1c2ccccc2nc1CNC1CCN(CC#N)CC1 ZINC000609335025 347635598 /nfs/dbraw/zinc/63/55/98/347635598.db2.gz PLLJPWXJZHFFNO-UHFFFAOYSA-N 0 3 297.406 2.134 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)c1sccc1C#N ZINC000609877695 347654454 /nfs/dbraw/zinc/65/44/54/347654454.db2.gz PBUZELRZAOASSP-GFCCVEGCSA-N 0 3 277.393 2.224 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000609921132 347655896 /nfs/dbraw/zinc/65/58/96/347655896.db2.gz MPALFGQFPWVBAM-VXGBXAGGSA-N 0 3 291.782 2.442 20 30 CEEDHN CC(C#N)C(=O)N1CCCO[C@H](c2ccccc2)C1 ZINC000609921472 347656266 /nfs/dbraw/zinc/65/62/66/347656266.db2.gz ZVQLYPAUGGZERE-OCCSQVGLSA-N 0 3 258.321 2.136 20 30 CEEDHN C[C@@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1cccc(C#N)c1 ZINC000610403506 347678762 /nfs/dbraw/zinc/67/87/62/347678762.db2.gz HUMDQVXWFQGHAC-IUODEOHRSA-N 0 3 298.390 2.155 20 30 CEEDHN CC(C#N)C(=O)N1CCC2(CC1)OCc1ccccc12 ZINC000610746736 347710869 /nfs/dbraw/zinc/71/08/69/347710869.db2.gz DNNHJMNSLGUPKP-GFCCVEGCSA-N 0 3 270.332 2.194 20 30 CEEDHN C[C@H](c1ccccc1)[C@@H](CO)NCc1ccc(C#N)o1 ZINC000610270998 347667360 /nfs/dbraw/zinc/66/73/60/347667360.db2.gz ZHCZLAVZGJGFGY-MLGOLLRUSA-N 0 3 270.332 2.405 20 30 CEEDHN C[C@H](NCCOC[C@@H]1CCOC1)c1ccc(C#N)cc1 ZINC000610342450 347673411 /nfs/dbraw/zinc/67/34/11/347673411.db2.gz UREGZJIDQCNEGY-DZGCQCFKSA-N 0 3 274.364 2.262 20 30 CEEDHN C[C@H](NC1CCN(CC#N)CC1)c1nc2ccccc2n1C ZINC000611366172 347769923 /nfs/dbraw/zinc/76/99/23/347769923.db2.gz GZWAIVZISAMUKZ-ZDUSSCGKSA-N 0 3 297.406 2.212 20 30 CEEDHN C[C@H](CN1CCN(CCC#N)CC1)c1ccccc1 ZINC000611174164 347746862 /nfs/dbraw/zinc/74/68/62/347746862.db2.gz AGPXWZSBAGOMDD-OAHLLOKOSA-N 0 3 257.381 2.321 20 30 CEEDHN C[C@H](C[S@@](C)=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000612420321 347882902 /nfs/dbraw/zinc/88/29/02/347882902.db2.gz HQKJRBRJKWXPNF-VZMUKZCBSA-N 0 3 276.405 2.292 20 30 CEEDHN C[C@H](C[S@@](C)=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000612420317 347883087 /nfs/dbraw/zinc/88/30/87/347883087.db2.gz HQKJRBRJKWXPNF-PRIMNGNOSA-N 0 3 276.405 2.292 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@H]1CCCO1 ZINC000130243618 365936276 /nfs/dbraw/zinc/93/62/76/365936276.db2.gz IXYKEJGTCRKPQK-BXUZGUMPSA-N 0 3 260.337 2.224 20 30 CEEDHN CCN1CC[C@@H]2OCCN(Cc3ccc(C#N)c(C)c3)[C@@H]2C1 ZINC000339391913 215141702 /nfs/dbraw/zinc/14/17/02/215141702.db2.gz KQWWCLAAWHPGNI-MSOLQXFVSA-N 0 3 299.418 2.162 20 30 CEEDHN C[C@@H]1CN(CCCOc2cccc(C#N)c2)[C@H](C)CN1C ZINC000351925655 219250215 /nfs/dbraw/zinc/25/02/15/219250215.db2.gz FFHGOIAVRMXSFD-HUUCEWRRSA-N 0 3 287.407 2.352 20 30 CEEDHN C[C@H]1C[C@H](O)CN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614178547 348154942 /nfs/dbraw/zinc/15/49/42/348154942.db2.gz LOZILCSCHLEWKN-WFASDCNBSA-N 0 3 258.365 2.443 20 30 CEEDHN Cc1cc(C#N)ccc1CN1C[C@H](C)N(C)C[C@H]1C ZINC000614403106 348194509 /nfs/dbraw/zinc/19/45/09/348194509.db2.gz DHPXECUWAIOIHC-UONOGXRCSA-N 0 3 257.381 2.391 20 30 CEEDHN COc1ccc(CN2C[C@@H](C)N(C)C[C@H]2C)cc1C#N ZINC000351951891 219261981 /nfs/dbraw/zinc/26/19/81/219261981.db2.gz OZBCIAOFHBUELY-CHWSQXEVSA-N 0 3 273.380 2.091 20 30 CEEDHN C=CCCCN(C)Cc1cnc(N2CCOCC2)s1 ZINC000128880564 187395760 /nfs/dbraw/zinc/39/57/60/187395760.db2.gz VGRRXJJILICFTK-UHFFFAOYSA-N 0 3 281.425 2.378 20 30 CEEDHN CC(C)[C@H](CNC[C@H](C#N)CCC#N)c1ccnn1C ZINC000615939844 348417540 /nfs/dbraw/zinc/41/75/40/348417540.db2.gz ZFBJOWMWJPGDJH-KBPBESRZSA-N 0 3 273.384 2.193 20 30 CEEDHN C[C@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000357116159 233009407 /nfs/dbraw/zinc/00/94/07/233009407.db2.gz KOSNTPBESJRWJH-AWEZNQCLSA-N 0 3 285.391 2.296 20 30 CEEDHN CCN(C)C(=O)[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000616094730 348440022 /nfs/dbraw/zinc/44/00/22/348440022.db2.gz WFUSCFGUEXZSAO-BLLLJJGKSA-N 0 3 285.391 2.392 20 30 CEEDHN C=C(C)[C@H](CC(=O)NC[C@H]1CCN1C(C)(C)C)OCC ZINC000617011786 348612031 /nfs/dbraw/zinc/61/20/31/348612031.db2.gz MHBBMNVMGYCQLL-KGLIPLIRSA-N 0 3 282.428 2.347 20 30 CEEDHN C=CCN(C(=O)c1cccc(CN(C)C)c1)[C@H](C)COC ZINC000617580309 348743016 /nfs/dbraw/zinc/74/30/16/348743016.db2.gz UWNWBPNETMXEHF-CQSZACIVSA-N 0 3 290.407 2.411 20 30 CEEDHN C[C@@H]1[C@H](Nc2cncc(C#N)n2)CCN1Cc1ccccc1 ZINC000401413526 233182885 /nfs/dbraw/zinc/18/28/85/233182885.db2.gz WNHGOFQFCPKBRE-CZUORRHYSA-N 0 3 293.374 2.423 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000618990854 349089397 /nfs/dbraw/zinc/08/93/97/349089397.db2.gz QJCOPTGHKPFOEQ-LSDHHAIUSA-N 0 3 282.428 2.204 20 30 CEEDHN C[C@@H](CCC#N)CN1CCN(c2ccccc2O)CC1 ZINC000618888535 349060662 /nfs/dbraw/zinc/06/06/62/349060662.db2.gz WVGKBYSPINWCLL-AWEZNQCLSA-N 0 3 273.380 2.454 20 30 CEEDHN C=CCC1(NC(=O)C2CCN(C)CC2)CCCC1 ZINC000619107830 349120174 /nfs/dbraw/zinc/12/01/74/349120174.db2.gz KDCRAHMYTJENCV-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN CO[C@@H](CNCc1ccc(C#N)c(F)c1)C(C)C ZINC000404253462 233192656 /nfs/dbraw/zinc/19/26/56/233192656.db2.gz MATWSFODTHLSFR-AWEZNQCLSA-N 0 3 250.317 2.458 20 30 CEEDHN COC[C@@H](NCc1cccc(C#N)c1F)C1CCOCC1 ZINC000619465984 349186337 /nfs/dbraw/zinc/18/63/37/349186337.db2.gz VXYVNYVTGLMNLY-OAHLLOKOSA-N 0 3 292.354 2.229 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H]1C)C(C)C ZINC000619663119 349212834 /nfs/dbraw/zinc/21/28/34/349212834.db2.gz SPBCUKLTKYZRAS-GJZGRUSLSA-N 0 3 279.428 2.489 20 30 CEEDHN C[C@H](NCCC(=O)N(C)CCC#N)c1ccsc1 ZINC000619783798 349235895 /nfs/dbraw/zinc/23/58/95/349235895.db2.gz YYMUWGUJPVUMAE-NSHDSACASA-N 0 3 265.382 2.161 20 30 CEEDHN N#CC1(CNCCCc2ccc3c(c2)CCO3)CC1 ZINC000619535298 349195660 /nfs/dbraw/zinc/19/56/60/349195660.db2.gz VLGVYHHAJAJVJE-UHFFFAOYSA-N 0 3 256.349 2.447 20 30 CEEDHN Cc1cc(CN2C[C@H](C)N(C)[C@@H](C)C2)ccc1C#N ZINC000339630903 215277579 /nfs/dbraw/zinc/27/75/79/215277579.db2.gz YLWMKKQZMZKKCX-KBPBESRZSA-N 0 3 257.381 2.391 20 30 CEEDHN CC(C)N1CCCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000068778319 362946937 /nfs/dbraw/zinc/94/69/37/362946937.db2.gz DIWQOVNRJJTDLN-UHFFFAOYSA-N 0 3 285.391 2.309 20 30 CEEDHN C=CC(C)(C)CCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000623708313 350087269 /nfs/dbraw/zinc/08/72/69/350087269.db2.gz DGLYHRRUKYBZRC-HNNXBMFYSA-N 0 3 299.484 2.325 20 30 CEEDHN C[C@@H](CC(=O)N(C)C)N[C@H](CCC#N)c1ccccc1 ZINC000090664860 180020257 /nfs/dbraw/zinc/02/02/57/180020257.db2.gz XXVVOYDVLHKAPE-DZGCQCFKSA-N 0 3 273.380 2.488 20 30 CEEDHN CO[C@@]1(C)CCCN(Cc2ccc(C#N)cn2)CC1 ZINC000568881912 299164143 /nfs/dbraw/zinc/16/41/43/299164143.db2.gz YZOYOQMXCFIXCO-HNNXBMFYSA-N 0 3 259.353 2.344 20 30 CEEDHN C=CCCOCC(=O)Nc1cccc(CN(C)C)c1 ZINC000147138196 539771103 /nfs/dbraw/zinc/77/11/03/539771103.db2.gz FXWNCDBOWCDNLD-UHFFFAOYSA-N 0 3 262.353 2.279 20 30 CEEDHN C=CCCNC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000624345328 350267650 /nfs/dbraw/zinc/26/76/50/350267650.db2.gz DMHFKXNDAHOFBR-AWEZNQCLSA-N 0 3 265.401 2.269 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H](C1CC1)C(C)(C)CO ZINC000339726900 215318028 /nfs/dbraw/zinc/31/80/28/215318028.db2.gz YISCGRRMADSZGE-INIZCTEOSA-N 0 3 288.391 2.454 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)OCCCC)CC1 ZINC000106033985 186099307 /nfs/dbraw/zinc/09/93/07/186099307.db2.gz OVAMVELSGJXIJH-AWEZNQCLSA-N 0 3 282.428 2.348 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OC)cc2)CC1 ZINC000106039483 186099598 /nfs/dbraw/zinc/09/95/98/186099598.db2.gz GGIIVNIZMFXMTI-UHFFFAOYSA-N 0 3 288.391 2.466 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCCCSCC)CC1 ZINC000337000245 365979161 /nfs/dbraw/zinc/97/91/61/365979161.db2.gz SSFOIFZBFVMNCV-UHFFFAOYSA-N 0 3 299.484 2.469 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](CO)CC1 ZINC000339754110 215328240 /nfs/dbraw/zinc/32/82/40/215328240.db2.gz OLRVDWWQUBLRRG-CYBMUJFWSA-N 0 3 274.364 2.161 20 30 CEEDHN C=CC1CCN(C(=O)NCCN2CCC(C)CC2)CC1 ZINC000111466850 186419871 /nfs/dbraw/zinc/41/98/71/186419871.db2.gz NSEZABAXQOTBJR-UHFFFAOYSA-N 0 3 279.428 2.326 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000628546077 351136052 /nfs/dbraw/zinc/13/60/52/351136052.db2.gz NFKGOMXEEPNEIU-ZBFHGGJFSA-N 0 3 294.439 2.491 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(C#N)cc1 ZINC000271434717 191134722 /nfs/dbraw/zinc/13/47/22/191134722.db2.gz BFWVDMBCAZDREO-CZUORRHYSA-N 0 3 285.391 2.437 20 30 CEEDHN CC[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C#N)cc1 ZINC000271434710 191135381 /nfs/dbraw/zinc/13/53/81/191135381.db2.gz BFWVDMBCAZDREO-BBRMVZONSA-N 0 3 285.391 2.437 20 30 CEEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000630080588 351608642 /nfs/dbraw/zinc/60/86/42/351608642.db2.gz AMTBCINYEQQCDU-LBPRGKRZSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCN1CC[C@H](N2CCCC[C@@H](SCC)C2)C1=O ZINC000337131364 366032825 /nfs/dbraw/zinc/03/28/25/366032825.db2.gz AAFSPBNHOOWCBX-KGLIPLIRSA-N 0 3 282.453 2.381 20 30 CEEDHN C=CCN1CC[C@H](N2C[C@@H](C)CC(C)(C)C2)C1=O ZINC000337205809 366074382 /nfs/dbraw/zinc/07/43/82/366074382.db2.gz LGKCJBSFUGESCE-STQMWFEESA-N 0 3 250.386 2.141 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)CCc2ccc(C#N)cc2)CCN1C ZINC000123616509 187101201 /nfs/dbraw/zinc/10/12/01/187101201.db2.gz HOIBVXKPPYUBFD-YOEHRIQHSA-N 0 3 299.418 2.432 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1c2c(nn1C)CCCC2 ZINC000631153347 351989661 /nfs/dbraw/zinc/98/96/61/351989661.db2.gz ZHSPNGPTWVGKRC-ZBFHGGJFSA-N 0 3 275.396 2.122 20 30 CEEDHN N#Cc1ccccc1OCCN1CC[C@H](n2cccn2)C1 ZINC000292028406 198138906 /nfs/dbraw/zinc/13/89/06/198138906.db2.gz YVEYXXQVDVEXBV-HNNXBMFYSA-N 0 3 282.347 2.081 20 30 CEEDHN COCC#CCN[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000669704911 539952431 /nfs/dbraw/zinc/95/24/31/539952431.db2.gz QAGOTXUPYFLQEO-MRXNPFEDSA-N 0 3 293.794 2.281 20 30 CEEDHN C=CCN1CC[C@H](N(C)CCCc2ccsc2)C1=O ZINC000337220087 366085295 /nfs/dbraw/zinc/08/52/95/366085295.db2.gz KIEPSGICXYNHPU-AWEZNQCLSA-N 0 3 278.421 2.399 20 30 CEEDHN CC#CCCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000155020538 188177312 /nfs/dbraw/zinc/17/73/12/188177312.db2.gz ORVSYJSBICUGBY-UHFFFAOYSA-N 0 3 281.403 2.479 20 30 CEEDHN CCOCCO[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000157796156 188339263 /nfs/dbraw/zinc/33/92/63/188339263.db2.gz KKNKRHVCKAUPIS-INIZCTEOSA-N 0 3 274.364 2.186 20 30 CEEDHN CCCNC(=O)C1(NCCCC#N)CCCCC1 ZINC000132305737 366133225 /nfs/dbraw/zinc/13/32/25/366133225.db2.gz LHCURLGICJUACI-UHFFFAOYSA-N 0 3 251.374 2.109 20 30 CEEDHN C=CCn1c(C(C)C)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000337771307 366172452 /nfs/dbraw/zinc/17/24/52/366172452.db2.gz DPQHNBIQCKXORP-CQSZACIVSA-N 0 3 291.443 2.364 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000271740109 191300578 /nfs/dbraw/zinc/30/05/78/191300578.db2.gz QETYCVGNMAZMJO-QGZVFWFLSA-N 0 3 288.366 2.314 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000338128384 366203474 /nfs/dbraw/zinc/20/34/74/366203474.db2.gz SSXJAVYBEMWPMR-XJKSGUPXSA-N 0 3 283.375 2.033 20 30 CEEDHN N#Cc1cnc(N2CCCN(Cc3ccccc3)CC2)cn1 ZINC000133040022 366189958 /nfs/dbraw/zinc/18/99/58/366189958.db2.gz LOKWXDKOWOVJQV-UHFFFAOYSA-N 0 3 293.374 2.061 20 30 CEEDHN CCCCN(C)CCNC(=O)c1cccc(C#N)c1C ZINC000338118285 366197815 /nfs/dbraw/zinc/19/78/15/366197815.db2.gz HWNZELPZQYVXDU-UHFFFAOYSA-N 0 3 273.380 2.328 20 30 CEEDHN CCN1CCC(N(C)C(=O)c2cccc(C#N)c2C)CC1 ZINC000338157428 366214871 /nfs/dbraw/zinc/21/48/71/366214871.db2.gz UBSSVEBATHPPFH-UHFFFAOYSA-N 0 3 285.391 2.423 20 30 CEEDHN CCN(C)C(=O)CCNC1(c2cccc(C#N)c2)CC1 ZINC000271770396 191316569 /nfs/dbraw/zinc/31/65/69/191316569.db2.gz JSJPMGZMPUZRST-UHFFFAOYSA-N 0 3 271.364 2.005 20 30 CEEDHN Cn1cc(CCNC2(c3cccc(C#N)c3)CC2)cn1 ZINC000271809037 191341553 /nfs/dbraw/zinc/34/15/53/191341553.db2.gz QMJMFHDJJZDBEE-UHFFFAOYSA-N 0 3 266.348 2.113 20 30 CEEDHN CC(C)N1C[C@H](N[C@@H](C)c2cccc(C#N)c2)CC1=O ZINC000271862204 191376197 /nfs/dbraw/zinc/37/61/97/191376197.db2.gz KRWWSJXEQPIUMJ-SWLSCSKDSA-N 0 3 271.364 2.218 20 30 CEEDHN N#Cc1ccc(N2CCN([C@@H]3CCSC3)CC2)cc1 ZINC000378111943 283161071 /nfs/dbraw/zinc/16/10/71/283161071.db2.gz NVPSSQQDTNOXHO-OAHLLOKOSA-N 0 3 273.405 2.186 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@H](SC)C1 ZINC000134558984 366339920 /nfs/dbraw/zinc/33/99/20/366339920.db2.gz STXCYEHHDIXBMF-KGLIPLIRSA-N 0 3 297.468 2.212 20 30 CEEDHN C[C@H](NC[C@H]1CN2CCCC[C@@H]2CO1)c1ccc(C#N)cc1 ZINC000134556357 366337249 /nfs/dbraw/zinc/33/72/49/366337249.db2.gz BJPXNKLJAWRMFH-QGTPRVQTSA-N 0 3 299.418 2.462 20 30 CEEDHN CNC(=O)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118391842 283286398 /nfs/dbraw/zinc/28/63/98/283286398.db2.gz YGSWZIWWTLLUEP-LBPRGKRZSA-N 0 3 271.364 2.077 20 30 CEEDHN C=CCOCCCC(=O)NCc1cccc(CN(C)C)c1 ZINC000079437512 363600300 /nfs/dbraw/zinc/60/03/00/363600300.db2.gz LINGRLIJRSWVEZ-UHFFFAOYSA-N 0 3 290.407 2.347 20 30 CEEDHN CN(CCCOc1cccc(C#N)c1)[C@H]1CCOC1 ZINC000135185122 366405220 /nfs/dbraw/zinc/40/52/20/366405220.db2.gz FCKNKKOSETZQQO-AWEZNQCLSA-N 0 3 260.337 2.048 20 30 CEEDHN N#Cc1ccc(CNC[C@H]2CCCC[C@@H]2O)s1 ZINC000135693418 366468347 /nfs/dbraw/zinc/46/83/47/366468347.db2.gz ZSOCKRWHVLXMMP-MFKMUULPSA-N 0 3 250.367 2.260 20 30 CEEDHN N#Cc1ccc(CNCCC(=O)N2CCCCC2)s1 ZINC000135681238 366466285 /nfs/dbraw/zinc/46/62/85/366466285.db2.gz KFHJALXFBVXWCI-UHFFFAOYSA-N 0 3 277.393 2.112 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cnc2cc(C)nn2c1C ZINC000578294936 366471529 /nfs/dbraw/zinc/47/15/29/366471529.db2.gz VIDPEWDHZIYVJL-DFBGVHRSSA-N 0 3 286.379 2.340 20 30 CEEDHN C[C@H]1CN(Cc2cnc3c(C#N)cnn3c2)CC[C@@H]1C ZINC000578359568 366482868 /nfs/dbraw/zinc/48/28/68/366482868.db2.gz AUVREZFARTWWJC-RYUDHWBXSA-N 0 3 269.352 2.079 20 30 CEEDHN C[C@@H](C#N)CN(C(=O)C1CCN(C2CC2)CC1)C1CC1 ZINC000338805688 366530963 /nfs/dbraw/zinc/53/09/63/366530963.db2.gz AIPBXJVUFUCONQ-LBPRGKRZSA-N 0 3 275.396 2.011 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H](C)Cc1cc(C)n[nH]1 ZINC000136785694 366524911 /nfs/dbraw/zinc/52/49/11/366524911.db2.gz POVPYJQISXUPPN-ZDUSSCGKSA-N 0 3 283.375 2.451 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H](C)Cc1cc(C)[nH]n1 ZINC000136785694 366524921 /nfs/dbraw/zinc/52/49/21/366524921.db2.gz POVPYJQISXUPPN-ZDUSSCGKSA-N 0 3 283.375 2.451 20 30 CEEDHN C=CCN1CCC(NC(=O)c2csc(C)c2)CC1 ZINC000671704349 540487409 /nfs/dbraw/zinc/48/74/09/540487409.db2.gz IAGQRHJFDFZHEN-UHFFFAOYSA-N 0 3 264.394 2.437 20 30 CEEDHN C[C@H]1CCN(CC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000571060266 299292666 /nfs/dbraw/zinc/29/26/66/299292666.db2.gz KFFSTINWGZTLLG-SUMWQHHRSA-N 0 3 297.402 2.394 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000578724821 366538670 /nfs/dbraw/zinc/53/86/70/366538670.db2.gz GEOLVFNNXJHDAG-QMIVOQANSA-N 0 3 280.412 2.003 20 30 CEEDHN COC[C@H](Cc1ccccc1)N(C)CCOCCC#N ZINC000339116714 366661506 /nfs/dbraw/zinc/66/15/06/366661506.db2.gz BAZHDCFDYSPGNQ-INIZCTEOSA-N 0 3 276.380 2.106 20 30 CEEDHN CC(C)[C@H](C)N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000341808976 216114954 /nfs/dbraw/zinc/11/49/54/216114954.db2.gz LFDMKKCVSAURDF-ZDUSSCGKSA-N 0 3 273.380 2.151 20 30 CEEDHN N#Cc1ccc(CNCCCNc2ccccn2)o1 ZINC000177590975 189058843 /nfs/dbraw/zinc/05/88/43/189058843.db2.gz WOMJNTGXIBMHKE-UHFFFAOYSA-N 0 3 256.309 2.138 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H](C3OCCO3)C2)s1 ZINC000179373145 189189922 /nfs/dbraw/zinc/18/99/22/189189922.db2.gz WESXPTRVZZFDFU-NSHDSACASA-N 0 3 278.377 2.205 20 30 CEEDHN C=CCOc1cccc(CN2CCC[C@H](OCCO)C2)c1 ZINC000179573313 189203441 /nfs/dbraw/zinc/20/34/41/189203441.db2.gz SKGIPJWBZQDUEZ-KRWDZBQOSA-N 0 3 291.391 2.225 20 30 CEEDHN Cc1nccn1CCCN(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000179500348 189197736 /nfs/dbraw/zinc/19/77/36/189197736.db2.gz ZMFHMSMWEQOWGE-KRWDZBQOSA-N 0 3 298.390 2.119 20 30 CEEDHN C=CCCCCN(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000579915949 366721546 /nfs/dbraw/zinc/72/15/46/366721546.db2.gz POOHOGXEVIKCIE-ZDUSSCGKSA-N 0 3 259.415 2.242 20 30 CEEDHN C=CCOc1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC000579732607 366695947 /nfs/dbraw/zinc/69/59/47/366695947.db2.gz XITHDVPEURXGNC-AWEZNQCLSA-N 0 3 288.391 2.209 20 30 CEEDHN Cn1cc(C#N)cc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000083763260 363786280 /nfs/dbraw/zinc/78/62/80/363786280.db2.gz BEQGMYJUVRLTOI-LLVKDONJSA-N 0 3 289.298 2.263 20 30 CEEDHN C[C@@H](CNC(=O)c1ccc(C#N)o1)N(C)Cc1ccccc1 ZINC000340163516 366786317 /nfs/dbraw/zinc/78/63/17/366786317.db2.gz ZTXWMDWIZZMUBZ-ZDUSSCGKSA-N 0 3 297.358 2.402 20 30 CEEDHN C#CCN(Cc1cc(=O)n2ccccc2n1)C1CCCC1 ZINC000155868237 366824205 /nfs/dbraw/zinc/82/42/05/366824205.db2.gz RYPIQFRWZAQEOA-UHFFFAOYSA-N 0 3 281.359 2.072 20 30 CEEDHN C[C@@H]1C[C@H](Nc2ccc(C#N)nn2)CN1Cc1ccccc1 ZINC000301951525 201274870 /nfs/dbraw/zinc/27/48/70/201274870.db2.gz JBUYRMYNYZVKHJ-CJNGLKHVSA-N 0 3 293.374 2.423 20 30 CEEDHN COCC#CCN[C@H](C)c1cccc(-n2cccn2)c1 ZINC000678779775 541172545 /nfs/dbraw/zinc/17/25/45/541172545.db2.gz RNVLWUHJSGIKPV-CQSZACIVSA-N 0 3 269.348 2.173 20 30 CEEDHN C=CCOCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000679589238 541295555 /nfs/dbraw/zinc/29/55/55/541295555.db2.gz VXUMWRCSTNLEQV-UHFFFAOYSA-N 0 3 288.391 2.215 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@H](CO)C2)cc1OC ZINC000092764066 364105460 /nfs/dbraw/zinc/10/54/60/364105460.db2.gz YNWKATZVEVGTBA-AWEZNQCLSA-N 0 3 277.364 2.074 20 30 CEEDHN CO[C@H]1CCN(Cc2cc(C#N)cs2)C[C@H]1C ZINC000334737695 364252617 /nfs/dbraw/zinc/25/26/17/364252617.db2.gz FIQSACPTLPAVBT-MFKMUULPSA-N 0 3 250.367 2.477 20 30 CEEDHN CCc1ccccc1[C@H](N)CNC(=O)NCCCCC#N ZINC000417516922 376191159 /nfs/dbraw/zinc/19/11/59/376191159.db2.gz PIJVWECEEOVYSV-OAHLLOKOSA-N 0 3 288.395 2.242 20 30 CEEDHN CC#CCCN(C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000156631953 366835730 /nfs/dbraw/zinc/83/57/30/366835730.db2.gz FGVFLVOMHCECML-LBPRGKRZSA-N 0 3 254.374 2.245 20 30 CEEDHN CCN1CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC000158087370 366852075 /nfs/dbraw/zinc/85/20/75/366852075.db2.gz PHDOJVIESCULCF-UHFFFAOYSA-N 0 3 260.356 2.205 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000107632686 364710225 /nfs/dbraw/zinc/71/02/25/364710225.db2.gz KULAEMMHCWZJAB-CVEARBPZSA-N 0 3 294.439 2.445 20 30 CEEDHN C=C(CC)CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000335576074 364807679 /nfs/dbraw/zinc/80/76/79/364807679.db2.gz DDKUOFOHHJXATB-HNNXBMFYSA-N 0 3 265.401 2.080 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)c1cc(C#N)ccc1Cl ZINC000335601108 212313012 /nfs/dbraw/zinc/31/30/12/212313012.db2.gz VBPXSJASZHJELD-GFCCVEGCSA-N 0 3 291.782 2.378 20 30 CEEDHN C[C@@H](N[C@@H]1CNCCC1(F)F)c1ccc(C#N)cc1F ZINC000335567916 212277734 /nfs/dbraw/zinc/27/77/34/212277734.db2.gz IIFIJIKBQSZZHH-NOZJJQNGSA-N 0 3 283.297 2.345 20 30 CEEDHN CCc1cccc2c1OCC[C@@H]2NC(=O)C(C)C#N ZINC000336001169 365274418 /nfs/dbraw/zinc/27/44/18/365274418.db2.gz SYZCKYZBHJQDIC-MFKMUULPSA-N 0 3 258.321 2.348 20 30 CEEDHN CC(C)N(CC(=O)N[C@@](C)(C#N)C(C)C)C1CCC1 ZINC000119710221 365313249 /nfs/dbraw/zinc/31/32/49/365313249.db2.gz PRCFAEJYMFXRJO-HNNXBMFYSA-N 0 3 265.401 2.304 20 30 CEEDHN C[C@H](C(=O)N(C)[C@@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000336035881 365321940 /nfs/dbraw/zinc/32/19/40/365321940.db2.gz LJGVJTLHDCELJO-XJKSGUPXSA-N 0 3 285.391 2.214 20 30 CEEDHN CC(C)(C#N)CCN1CCC(Nc2cccnn2)CC1 ZINC000119940148 365348947 /nfs/dbraw/zinc/34/89/47/365348947.db2.gz LPHBNYKURYGTLW-UHFFFAOYSA-N 0 3 273.384 2.293 20 30 CEEDHN Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1cccc(C#N)c1 ZINC000275724982 193113236 /nfs/dbraw/zinc/11/32/36/193113236.db2.gz ZIWPOONHCCDSDL-HOTGVXAUSA-N 0 3 296.374 2.302 20 30 CEEDHN C[C@@H](O)C[C@@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000159232051 366891367 /nfs/dbraw/zinc/89/13/67/366891367.db2.gz WZEWWROOIGJXOO-RISCZKNCSA-N 0 3 262.328 2.433 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](C)CC[C@H]1C ZINC000245444706 370821087 /nfs/dbraw/zinc/82/10/87/370821087.db2.gz JUTLSCYJFKXCGC-MGPQQGTHSA-N 0 3 265.401 2.115 20 30 CEEDHN CC(C#N)C(=O)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC000584419811 367156335 /nfs/dbraw/zinc/15/63/35/367156335.db2.gz QSMSWOGYXCAGGN-SNVBAGLBSA-N 0 3 293.754 2.264 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000357832742 370831147 /nfs/dbraw/zinc/83/11/47/370831147.db2.gz QNOIDGZXQJMMDW-ZDUSSCGKSA-N 0 3 286.379 2.094 20 30 CEEDHN CC1(C)[C@@H](O)C[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000162843733 367196946 /nfs/dbraw/zinc/19/69/46/367196946.db2.gz RNDLXCRNRABFET-STQMWFEESA-N 0 3 264.756 2.461 20 30 CEEDHN CCn1cc(CNCCc2cccc(C#N)c2)cn1 ZINC000341491402 367355672 /nfs/dbraw/zinc/35/56/72/367355672.db2.gz UFNDELKHZXJFIT-UHFFFAOYSA-N 0 3 254.337 2.107 20 30 CEEDHN C=CCC[C@@H](O)CN[C@H](c1cnn(C)c1)C(C)(C)C ZINC000342316389 367399412 /nfs/dbraw/zinc/39/94/12/367399412.db2.gz BYTZLGRQYARENZ-ZIAGYGMSSA-N 0 3 265.401 2.424 20 30 CEEDHN C=CCCN(C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000342354986 367402311 /nfs/dbraw/zinc/40/23/11/367402311.db2.gz NTXAWKSZYVSBTK-UHFFFAOYSA-N 0 3 267.417 2.468 20 30 CEEDHN C=C(C)CN(Cc1ccc(CO)o1)C(=O)CN(C)CCC ZINC000342378618 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Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)C(C)C#N)o1 ZINC000345517878 368308908 /nfs/dbraw/zinc/30/89/08/368308908.db2.gz AERQLJLONXWEHW-YGRLFVJLSA-N 0 3 296.330 2.164 20 30 CEEDHN CN(CCC#N)c1ccc(CN2CCC(C)(O)CC2)cc1 ZINC000179725847 368348648 /nfs/dbraw/zinc/34/86/48/368348648.db2.gz VTXIAOQACDDXJJ-UHFFFAOYSA-N 0 3 287.407 2.383 20 30 CEEDHN N#Cc1ccccc1CN[C@H](CC(N)=O)C1CCCCC1 ZINC000180969994 368408047 /nfs/dbraw/zinc/40/80/47/368408047.db2.gz MOYGSRWYTQQOHO-MRXNPFEDSA-N 0 3 285.391 2.472 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2cnn(CC3CC3)c2)nc(C)n1 ZINC000633899255 368455438 /nfs/dbraw/zinc/45/54/38/368455438.db2.gz FOYKIHPEVVMPMK-CQSZACIVSA-N 0 3 295.346 2.190 20 30 CEEDHN CO[C@@H](C)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000182131821 368527790 /nfs/dbraw/zinc/52/77/90/368527790.db2.gz DIBXALIUHBMKCS-ZDUSSCGKSA-N 0 3 274.364 2.436 20 30 CEEDHN CCN1C[C@H](C)N(Cc2cc(C#N)ccc2OC)C[C@H]1C ZINC000346224640 368599120 /nfs/dbraw/zinc/59/91/20/368599120.db2.gz YXCFLVWUOFQDSF-KGLIPLIRSA-N 0 3 287.407 2.481 20 30 CEEDHN C[C@H](C#N)CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000183830397 368653611 /nfs/dbraw/zinc/65/36/11/368653611.db2.gz MKGIANYKLBJFSN-CQSZACIVSA-N 0 3 282.391 2.272 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C)C[C@H](C)C1 ZINC000346433256 368672709 /nfs/dbraw/zinc/67/27/09/368672709.db2.gz MKBCLSKZNBWQHJ-RDBSUJKOSA-N 0 3 277.412 2.305 20 30 CEEDHN C=CCCCN(C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246155327 370917406 /nfs/dbraw/zinc/91/74/06/370917406.db2.gz PQZJOOUAMMZBNS-QWHCGFSZSA-N 0 3 259.415 2.240 20 30 CEEDHN N#Cc1ccc(CN(CCC2OCCO2)C2CC2)cc1 ZINC000185330840 368788715 /nfs/dbraw/zinc/78/87/15/368788715.db2.gz MJKRPAQNMODIOL-UHFFFAOYSA-N 0 3 272.348 2.286 20 30 CEEDHN CC(C#N)C(=O)NCCc1nc2ccccc2s1 ZINC000348065046 368881772 /nfs/dbraw/zinc/88/17/72/368881772.db2.gz YRVILJOPPAFFLB-SECBINFHSA-N 0 3 259.334 2.115 20 30 CEEDHN C#CCOc1ccccc1CN[C@H](C)[C@@H](C)C(=O)OCC ZINC000186410221 368970892 /nfs/dbraw/zinc/97/08/92/368970892.db2.gz LBYCZHKNLHLUFN-ZIAGYGMSSA-N 0 3 289.375 2.376 20 30 CEEDHN CNC(=O)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186637442 369011223 /nfs/dbraw/zinc/01/12/23/369011223.db2.gz ANCOZJHYPFEUFA-GFCCVEGCSA-N 0 3 271.364 2.077 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000276043222 193196523 /nfs/dbraw/zinc/19/65/23/193196523.db2.gz WOQMUJPLSZRUEJ-IUODEOHRSA-N 0 3 250.386 2.355 20 30 CEEDHN C=C(C)CN1CCC(N[C@H](C)c2nccnc2C)CC1 ZINC000187977660 369268016 /nfs/dbraw/zinc/26/80/16/369268016.db2.gz WCZWCKPKKAOXGK-CQSZACIVSA-N 0 3 274.412 2.476 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)c2cccc(F)c2C#N)CCN1C ZINC000188225607 369320651 /nfs/dbraw/zinc/32/06/51/369320651.db2.gz XQMBDZUCHBZDGI-VXGBXAGGSA-N 0 3 289.354 2.252 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000188378504 369346956 /nfs/dbraw/zinc/34/69/56/369346956.db2.gz SJFIRCZWUTYVAR-WBVHZDCISA-N 0 3 272.392 2.389 20 30 CEEDHN COc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1OC ZINC000349819446 369408897 /nfs/dbraw/zinc/40/88/97/369408897.db2.gz ACLQDIOLOQIQCF-DGCLKSJQSA-N 0 3 260.337 2.486 20 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2.304 20 30 CEEDHN CC[C@]1(CO)CCCN1CC#Cc1ccc(F)cc1 ZINC000189606389 369546775 /nfs/dbraw/zinc/54/67/75/369546775.db2.gz GISNBMQPCATPEL-MRXNPFEDSA-N 0 3 261.340 2.414 20 30 CEEDHN CC(C#N)C(=O)NCc1ccccc1N1CCCCC1 ZINC000351633371 369645478 /nfs/dbraw/zinc/64/54/78/369645478.db2.gz XYFQPOFVLDAVHB-ZDUSSCGKSA-N 0 3 271.364 2.453 20 30 CEEDHN C=CCCCCNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000351661565 369646697 /nfs/dbraw/zinc/64/66/97/369646697.db2.gz LEQPNPNPDZJFHB-STQMWFEESA-N 0 3 253.390 2.125 20 30 CEEDHN CN(C)c1ccc(CNCc2cc(C#N)n(C)c2)cc1F ZINC000190907447 369661287 /nfs/dbraw/zinc/66/12/87/369661287.db2.gz YFDRUCOJPUWMFS-UHFFFAOYSA-N 0 3 286.354 2.392 20 30 CEEDHN C=CCCN(C)[C@H](C)C(=O)NCCc1cccs1 ZINC000276527656 193368163 /nfs/dbraw/zinc/36/81/63/193368163.db2.gz ZLUHOBNWSBKEDN-GFCCVEGCSA-N 0 3 266.410 2.303 20 30 CEEDHN C=C(C)CCN1CCN(c2ccncc2OC)CC1 ZINC000352420714 369724288 /nfs/dbraw/zinc/72/42/88/369724288.db2.gz FXMIOSSAJIAMET-UHFFFAOYSA-N 0 3 261.369 2.178 20 30 CEEDHN COC1CCC(CNCc2nc(C#N)cs2)CC1 ZINC000352842512 369907699 /nfs/dbraw/zinc/90/76/99/369907699.db2.gz OPRCHYDOGGSTGH-UHFFFAOYSA-N 0 3 265.382 2.310 20 30 CEEDHN CC[C@@H]1CCCCN1CCNCc1nc(C#N)cs1 ZINC000352839380 369905779 /nfs/dbraw/zinc/90/57/79/369905779.db2.gz JWGMJHNCAHIEIB-CYBMUJFWSA-N 0 3 278.425 2.369 20 30 CEEDHN C[C@H](CN1CCC[C@H](C)C1)NCc1nc(C#N)cs1 ZINC000352839203 369906394 /nfs/dbraw/zinc/90/63/94/369906394.db2.gz IVLWISRWAWUWGI-NWDGAFQWSA-N 0 3 278.425 2.225 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000637473657 369953241 /nfs/dbraw/zinc/95/32/41/369953241.db2.gz RVAJRYKGSNFORV-OAHLLOKOSA-N 0 3 277.412 2.387 20 30 CEEDHN N#Cc1ncn(CCNCc2ccc3ccccc3c2)n1 ZINC000353041361 369998006 /nfs/dbraw/zinc/99/80/06/369998006.db2.gz XMCMMBYUYYSMFV-UHFFFAOYSA-N 0 3 277.331 2.093 20 30 CEEDHN N#Cc1ncn(CCNCc2csc3ccccc23)n1 ZINC000353041889 369998698 /nfs/dbraw/zinc/99/86/98/369998698.db2.gz YRZFFNWAYUPQTA-UHFFFAOYSA-N 0 3 283.360 2.154 20 30 CEEDHN C=CCOc1ccccc1CNCCc1cn[nH]c1 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ZINC000355781761 370614415 /nfs/dbraw/zinc/61/44/15/370614415.db2.gz KUKWVRIIVAIFSE-KFWWJZLASA-N 0 3 290.411 2.009 20 30 CEEDHN C=CCCCC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000358305993 371004213 /nfs/dbraw/zinc/00/42/13/371004213.db2.gz GIRTZXLFFNYYCK-UHFFFAOYSA-N 0 3 289.379 2.095 20 30 CEEDHN C=CC[C@H](C)NC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000247089843 371062904 /nfs/dbraw/zinc/06/29/04/371062904.db2.gz LYFINUHZLGKHQN-IHRRRGAJSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CCC1(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)CCC1 ZINC000358607374 371136051 /nfs/dbraw/zinc/13/60/51/371136051.db2.gz KIBTUZYXRGROSK-QWHCGFSZSA-N 0 3 282.453 2.237 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000248636548 371227549 /nfs/dbraw/zinc/22/75/49/371227549.db2.gz YEPRLZWQAQLRIL-IIAWOOMASA-N 0 3 276.424 2.273 20 30 CEEDHN Cn1cc2c(n1)CCC[C@H]2NCCOc1ccc(C#N)cc1 ZINC000358967410 371284646 /nfs/dbraw/zinc/28/46/46/371284646.db2.gz QHYAZANIKLETBQ-MRXNPFEDSA-N 0 3 296.374 2.338 20 30 CEEDHN C[C@H]1CCCCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000331997692 204375389 /nfs/dbraw/zinc/37/53/89/204375389.db2.gz OGAYQYNXPGHWRS-AWEZNQCLSA-N 0 3 285.391 2.296 20 30 CEEDHN C=CCN1CCC(NC(=O)c2c[nH]cc2C2CC2)CC1 ZINC000639687620 371496065 /nfs/dbraw/zinc/49/60/65/371496065.db2.gz IUIYIHRZJQDEJX-UHFFFAOYSA-N 0 3 273.380 2.272 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639790683 371570459 /nfs/dbraw/zinc/57/04/59/371570459.db2.gz DGRJNMANTVIILJ-ZBFHGGJFSA-N 0 3 283.375 2.356 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2cnn3ccccc23)CC1 ZINC000640363187 371924669 /nfs/dbraw/zinc/92/46/69/371924669.db2.gz QWVVEXHWTFGBFW-UHFFFAOYSA-N 0 3 299.378 2.106 20 30 CEEDHN C=CCOCCCN1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361604342 371970662 /nfs/dbraw/zinc/97/06/62/371970662.db2.gz QITOOWJVXPCGAD-INIZCTEOSA-N 0 3 283.412 2.239 20 30 CEEDHN C#CCCOc1ccc(CN[C@H](C)CC[S@](C)=O)cc1 ZINC000268461756 372109532 /nfs/dbraw/zinc/10/95/32/372109532.db2.gz ZLYIERJNFHETGO-VLIAUNLRSA-N 0 3 293.432 2.335 20 30 CEEDHN Cc1n[nH]cc1CCCNCc1ccc(C#N)cc1F ZINC000269440636 372450160 /nfs/dbraw/zinc/45/01/60/372450160.db2.gz SMQSBJMNAGWBOG-UHFFFAOYSA-N 0 3 272.327 2.451 20 30 CEEDHN COC(=O)[C@@H](C)CN(C)Cc1ccc(C#N)c(C)c1 ZINC000362956710 372588136 /nfs/dbraw/zinc/58/81/36/372588136.db2.gz BZYWFVQSCYVGMO-LBPRGKRZSA-N 0 3 260.337 2.108 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CO)C[C@@H](O)c2ccccc2)cc1 ZINC000269892599 372589494 /nfs/dbraw/zinc/58/94/94/372589494.db2.gz CVAZTPHBWIKBCP-QZTJIDSGSA-N 0 3 296.370 2.132 20 30 CEEDHN N#Cc1cccc(CN2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c1 ZINC000363097281 372627552 /nfs/dbraw/zinc/62/75/52/372627552.db2.gz RGGKJPRBKVJGCU-JYJNAYRXSA-N 0 3 283.375 2.177 20 30 CEEDHN CC#CC[C@@H](CO)NC/C=C/c1ccc(F)cc1F ZINC000641767104 372705089 /nfs/dbraw/zinc/70/50/89/372705089.db2.gz GUWBWALMLFBBQC-NNTXTVRGSA-N 0 3 265.303 2.342 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc2cnccc2c1 ZINC000641767391 372705235 /nfs/dbraw/zinc/70/52/35/372705235.db2.gz JYQWLFOECZWQLO-INIZCTEOSA-N 0 3 254.333 2.099 20 30 CEEDHN CC#CC[C@H](CO)NCc1c[nH]nc1-c1cccs1 ZINC000641769229 372710203 /nfs/dbraw/zinc/71/02/03/372710203.db2.gz QRKRZIARKSOTOR-GFCCVEGCSA-N 0 3 275.377 2.002 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000364735336 372792268 /nfs/dbraw/zinc/79/22/68/372792268.db2.gz FFGHYAJEVATBGH-ZIAGYGMSSA-N 0 3 274.364 2.150 20 30 CEEDHN N#Cc1ccc(CN2CCCC[C@H]2C(=N)NO)cc1F ZINC000365271700 372817145 /nfs/dbraw/zinc/81/71/45/372817145.db2.gz HGBLRJZBMKYHRX-ZDUSSCGKSA-N 0 3 276.315 2.008 20 30 CEEDHN CCCN(CC)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000270780058 372948555 /nfs/dbraw/zinc/94/85/55/372948555.db2.gz OKXRMDLUMFBKAO-GFCCVEGCSA-N 0 3 277.393 2.457 20 30 CEEDHN C#CCCCN1CCN(CCc2ccccc2)CC1 ZINC000270985197 373050373 /nfs/dbraw/zinc/05/03/73/373050373.db2.gz CZQVGYLGBZBMCZ-UHFFFAOYSA-N 0 3 256.393 2.260 20 30 CEEDHN C#CCCCN1CCN(Cc2csc(CC)n2)CC1 ZINC000271006107 373060988 /nfs/dbraw/zinc/06/09/88/373060988.db2.gz GZWVZOWQHSCZKA-UHFFFAOYSA-N 0 3 277.437 2.237 20 30 CEEDHN C#CCCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000271088033 373111913 /nfs/dbraw/zinc/11/19/13/373111913.db2.gz ZYGIXNBVCHYGMU-UHFFFAOYSA-N 0 3 273.336 2.130 20 30 CEEDHN CC(C)[C@@H](CO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271983670 373247834 /nfs/dbraw/zinc/24/78/34/373247834.db2.gz XQURDPRNCLRWPV-IINYFYTJSA-N 0 3 250.317 2.365 20 30 CEEDHN C=CCn1cc(CNC[C@@H]2CCOc3ccccc32)nn1 ZINC000643794364 373268504 /nfs/dbraw/zinc/26/85/04/373268504.db2.gz DNIQPOJGQUXTLL-ZDUSSCGKSA-N 0 3 284.363 2.120 20 30 CEEDHN CCC[C@H](O)CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272106219 373308777 /nfs/dbraw/zinc/30/87/77/373308777.db2.gz ICKKNUMWQROHCC-INIZCTEOSA-N 0 3 298.390 2.209 20 30 CEEDHN Cc1ccc(NC[C@@H](c2ccsc2)N(C)C)nc1C#N ZINC000344970910 217373876 /nfs/dbraw/zinc/37/38/76/217373876.db2.gz JTASFENFNDUMDS-AWEZNQCLSA-N 0 3 286.404 2.460 20 30 CEEDHN N#Cc1ccc(CNCC[C@H]2COc3ccccc3O2)o1 ZINC000345028355 217388240 /nfs/dbraw/zinc/38/82/40/217388240.db2.gz LOCZCYORCQHMAR-AWEZNQCLSA-N 0 3 284.315 2.471 20 30 CEEDHN Cn1cc(C[C@H]2CCN(Cc3cccc(C#N)c3)C2)cn1 ZINC000370011956 373555730 /nfs/dbraw/zinc/55/57/30/373555730.db2.gz SXOXBLWZIQJCAU-MRXNPFEDSA-N 0 3 280.375 2.356 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000644794944 373687222 /nfs/dbraw/zinc/68/72/22/373687222.db2.gz ROCNDZPWHITQMF-ZDUSSCGKSA-N 0 3 250.386 2.189 20 30 CEEDHN CCC#C[C@H](C)N(C)CCCN1C(=O)c2ccccc2C1=O ZINC000644958753 373803140 /nfs/dbraw/zinc/80/31/40/373803140.db2.gz ZCVCWTUFBHGJES-AWEZNQCLSA-N 0 3 298.386 2.406 20 30 CEEDHN CC[C@@H]1[C@@H](C)CCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000274962159 374110377 /nfs/dbraw/zinc/11/03/77/374110377.db2.gz JABBQZOKLOMQSE-XJKSGUPXSA-N 0 3 285.391 2.295 20 30 CEEDHN C#CCC(CC#C)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000277341196 374483991 /nfs/dbraw/zinc/48/39/91/374483991.db2.gz DOFDGFNXSSUEEZ-UHFFFAOYSA-N 0 3 296.414 2.240 20 30 CEEDHN CC#CCCN1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000374010964 374468121 /nfs/dbraw/zinc/46/81/21/374468121.db2.gz AYNWPWBHHFZXSF-ILXRZTDVSA-N 0 3 251.370 2.058 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC(C)(F)C1)C(C)C ZINC000684253280 541956121 /nfs/dbraw/zinc/95/61/21/541956121.db2.gz IXAHJZIUJAGIMT-AWEZNQCLSA-N 0 3 297.418 2.438 20 30 CEEDHN Cc1nnc(NC[C@@H]2CCCCN2C2CC2)c(C#N)c1C ZINC000277493569 374542977 /nfs/dbraw/zinc/54/29/77/374542977.db2.gz RZNHCRXYFQCKLN-AWEZNQCLSA-N 0 3 285.395 2.394 20 30 CEEDHN CC#CC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000277775826 374640023 /nfs/dbraw/zinc/64/00/23/374640023.db2.gz TXEYBVJKPNWVGN-OAHLLOKOSA-N 0 3 270.376 2.133 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](OC)CC1 ZINC000374647971 374621932 /nfs/dbraw/zinc/62/19/32/374621932.db2.gz PHTNXOPBVQQQLM-CABCVRRESA-N 0 3 280.412 2.076 20 30 CEEDHN CC(C)N(CCN(C)C)c1ccc(Cl)c(C#N)n1 ZINC000277900203 374679081 /nfs/dbraw/zinc/67/90/81/374679081.db2.gz XSOCFEKRESNCLX-UHFFFAOYSA-N 0 3 266.776 2.383 20 30 CEEDHN CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN1C1CC1 ZINC000279810354 374996681 /nfs/dbraw/zinc/99/66/81/374996681.db2.gz XGBQACXDYCHYHE-MRXNPFEDSA-N 0 3 283.375 2.143 20 30 CEEDHN C=CCN1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000280234237 375137571 /nfs/dbraw/zinc/13/75/71/375137571.db2.gz MPSBSXPVFJMAJD-UHFFFAOYSA-N 0 3 296.370 2.491 20 30 CEEDHN C[C@H](O)C[C@@H]1CCCCN1Cc1cc(C#N)n(C)c1 ZINC000280357862 375181044 /nfs/dbraw/zinc/18/10/44/375181044.db2.gz CIKDBWKQJZOMDK-JSGCOSHPSA-N 0 3 261.369 2.022 20 30 CEEDHN CC[C@H]1[C@H](CO)CCN1Cc1cc(C#N)ccc1OC ZINC000385623511 375236151 /nfs/dbraw/zinc/23/61/51/375236151.db2.gz HOFIPYWSIWMPTP-ZFWWWQNUSA-N 0 3 274.364 2.160 20 30 CEEDHN C#CCOc1ccccc1CNCC1([S@@](C)=O)CCC1 ZINC000280692611 375285637 /nfs/dbraw/zinc/28/56/37/375285637.db2.gz RRSKGSWTRIXPDO-HXUWFJFHSA-N 0 3 291.416 2.089 20 30 CEEDHN N#Cc1csc(CN2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000334259922 206272486 /nfs/dbraw/zinc/27/24/86/206272486.db2.gz VEYDLLCDCUJUJZ-QWHCGFSZSA-N 0 3 262.378 2.478 20 30 CEEDHN COC(=O)C(C)(C)CCNCc1ccc(C#N)cc1F ZINC000280785041 375319539 /nfs/dbraw/zinc/31/95/39/375319539.db2.gz FZTUEZZLDROYGR-UHFFFAOYSA-N 0 3 278.327 2.376 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000280812628 375330313 /nfs/dbraw/zinc/33/03/13/375330313.db2.gz TZHXFEGNERSINA-VXGBXAGGSA-N 0 3 289.379 2.310 20 30 CEEDHN C[C@](O)(CN1CCC(CCC#N)CC1)C(F)(F)F ZINC000399334954 375362580 /nfs/dbraw/zinc/36/25/80/375362580.db2.gz RDWSBMGPKQXLPV-NSHDSACASA-N 0 3 264.291 2.315 20 30 CEEDHN CCOC[C@H]1CCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000282456253 375489734 /nfs/dbraw/zinc/48/97/34/375489734.db2.gz VJXOERHQWXANHV-AWEZNQCLSA-N 0 3 274.364 2.425 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2Cc3ccc(F)cc32)CC1 ZINC000684434241 542004732 /nfs/dbraw/zinc/00/47/32/542004732.db2.gz HRONFQARDVKNKV-MRXNPFEDSA-N 0 3 288.366 2.232 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc2n(n1)CCC2 ZINC000414123898 375797998 /nfs/dbraw/zinc/79/79/98/375797998.db2.gz BSWLNQIIRGFTDE-WWGRRREGSA-N 0 3 275.396 2.461 20 30 CEEDHN COCC1(NCc2ccc(OC)c(C#N)c2)CCC1 ZINC000283971422 375790011 /nfs/dbraw/zinc/79/00/11/375790011.db2.gz LEHVPAKZDMGJAS-UHFFFAOYSA-N 0 3 260.337 2.226 20 30 CEEDHN CCN1CCN(Cc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000286611568 376011976 /nfs/dbraw/zinc/01/19/76/376011976.db2.gz RPLJPAFETFBLBX-LBPRGKRZSA-N 0 3 261.344 2.223 20 30 CEEDHN CC[C@H](CC#N)NC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415976746 376030737 /nfs/dbraw/zinc/03/07/37/376030737.db2.gz RIBYGZXMNAKZED-LLVKDONJSA-N 0 3 290.342 2.285 20 30 CEEDHN C#C[C@H](NCc1ccc2c(c1)CCC(=O)N2C)C(C)C ZINC000289558588 376401592 /nfs/dbraw/zinc/40/15/92/376401592.db2.gz RPQSJXFEFBJNDJ-HNNXBMFYSA-N 0 3 270.376 2.343 20 30 CEEDHN C=CCNC(=O)CN(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419324039 376441285 /nfs/dbraw/zinc/44/12/85/376441285.db2.gz JLQVPSKFMZMKJT-QWHCGFSZSA-N 0 3 252.402 2.435 20 30 CEEDHN Cc1ncccc1OC[C@@H]1CCCN1CCOCCC#N ZINC000419393302 376450259 /nfs/dbraw/zinc/45/02/59/376450259.db2.gz PUJVJKIXFBMYAF-HNNXBMFYSA-N 0 3 289.379 2.164 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC[C@H](C)[C@H]1CO ZINC000305744106 376469033 /nfs/dbraw/zinc/46/90/33/376469033.db2.gz UHXCYJAKLOQTAP-SWLSCSKDSA-N 0 3 274.364 2.160 20 30 CEEDHN CC(C)(C#N)CCCN1CC[C@@](O)(C(F)(F)F)C1 ZINC000310559866 376626743 /nfs/dbraw/zinc/62/67/43/376626743.db2.gz ZLQWFTJARMGUEX-NSHDSACASA-N 0 3 264.291 2.315 20 30 CEEDHN CCC1CC(N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000560237854 376724974 /nfs/dbraw/zinc/72/49/74/376724974.db2.gz XMCIYDIFLFLJLX-QWFMPGPPSA-N 0 3 297.402 2.437 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000684898428 542086055 /nfs/dbraw/zinc/08/60/55/542086055.db2.gz DDJTUAKWJUDJMR-KGLIPLIRSA-N 0 3 265.401 2.125 20 30 CEEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H](O)C(C)(C)C ZINC000290327479 376734642 /nfs/dbraw/zinc/73/46/42/376734642.db2.gz OQVJBFZEOXICKS-INIZCTEOSA-N 0 3 290.407 2.414 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1N1CC[C@@]2(CCN(C)C2)C1 ZINC000314427769 376774872 /nfs/dbraw/zinc/77/48/72/376774872.db2.gz WIFBULHDFPTGLM-QGZVFWFLSA-N 0 3 283.375 2.293 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cc(OC)cc(OC)c1 ZINC000320820477 376826697 /nfs/dbraw/zinc/82/66/97/376826697.db2.gz YHWWDJNBAPKXAC-ZDUSSCGKSA-N 0 3 265.353 2.121 20 30 CEEDHN C=CCN(CCCC(=O)NC)Cc1cccc(C#N)c1 ZINC000562442829 376893792 /nfs/dbraw/zinc/89/37/92/376893792.db2.gz BOANDZBYQXAIHJ-UHFFFAOYSA-N 0 3 271.364 2.072 20 30 CEEDHN C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)CCS1 ZINC000329537528 376966798 /nfs/dbraw/zinc/96/67/98/376966798.db2.gz BQVYKWJNGMHFQA-GHMZBOCLSA-N 0 3 294.424 2.008 20 30 CEEDHN C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)CCS1 ZINC000329537528 376966804 /nfs/dbraw/zinc/96/68/04/376966804.db2.gz BQVYKWJNGMHFQA-GHMZBOCLSA-N 0 3 294.424 2.008 20 30 CEEDHN C=CCCOCCNCc1cn(C)nc1C(F)F ZINC000291280432 377155212 /nfs/dbraw/zinc/15/52/12/377155212.db2.gz URUJZPRCMUCDHK-UHFFFAOYSA-N 0 3 259.300 2.040 20 30 CEEDHN C[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCO1 ZINC000330663451 377197712 /nfs/dbraw/zinc/19/77/12/377197712.db2.gz XHBLVRJOQQAABB-DZGCQCFKSA-N 0 3 272.348 2.006 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](N2CCOCC2)C1 ZINC000563364475 377187594 /nfs/dbraw/zinc/18/75/94/377187594.db2.gz NKWRVMKRXGSYNO-CRAIPNDOSA-N 0 3 299.418 2.416 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)CC1CCN(C)CC1 ZINC000292017321 377220756 /nfs/dbraw/zinc/22/07/56/377220756.db2.gz SLVBUVSEOQVSBE-SFHVURJKSA-N 0 3 298.430 2.469 20 30 CEEDHN C#CCNC(=O)CCN1CCCC[C@H]1c1ccc(F)cc1 ZINC000292677698 377263320 /nfs/dbraw/zinc/26/33/20/377263320.db2.gz BPLJEHUZSCTYMH-INIZCTEOSA-N 0 3 288.366 2.492 20 30 CEEDHN C#CCN(C)CCCNc1nnc(C(C)C)s1 ZINC000292672838 377263471 /nfs/dbraw/zinc/26/34/71/377263471.db2.gz DEUSCPHREMEGKL-UHFFFAOYSA-N 0 3 252.387 2.029 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC(=O)CCN2CCc3ccccc3C2)C1 ZINC000424967350 377313233 /nfs/dbraw/zinc/31/32/33/377313233.db2.gz QECXZCQYIILKPX-WMLDXEAASA-N 0 3 297.402 2.243 20 30 CEEDHN C#CCN(C)CCCNc1ncnc2ccsc21 ZINC000292857049 377315962 /nfs/dbraw/zinc/31/59/62/377315962.db2.gz RXBJSUFDIQTLOZ-UHFFFAOYSA-N 0 3 260.366 2.058 20 30 CEEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CCOCC1 ZINC000424688911 377283540 /nfs/dbraw/zinc/28/35/40/377283540.db2.gz OJIBAPWFBBSLLP-HUUCEWRRSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCc1ccccc1OC[C@H](O)CNCCCC#N ZINC000564076105 377343206 /nfs/dbraw/zinc/34/32/06/377343206.db2.gz HFPMQCZKVTUMQX-OAHLLOKOSA-N 0 3 274.364 2.048 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CCC[C@@H]3CCC[C@H]32)c1 ZINC000331387134 377408684 /nfs/dbraw/zinc/40/86/84/377408684.db2.gz IFCINUFFOCBANE-DLBZAZTESA-N 0 3 297.402 2.439 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)Nc1cccc2c1CCNC2 ZINC000564785130 377452232 /nfs/dbraw/zinc/45/22/32/377452232.db2.gz OFAQCNIEJWHIGK-UHFFFAOYSA-N 0 3 286.379 2.346 20 30 CEEDHN COc1cc(OC)cc(N2CC[C@@H](CNCCC#N)C2)c1 ZINC000564849075 377475386 /nfs/dbraw/zinc/47/53/86/377475386.db2.gz IWZPGNOCYSCDDX-ZDUSSCGKSA-N 0 3 289.379 2.033 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H](O)[C@H](C)C2)cc1 ZINC000428466219 377493414 /nfs/dbraw/zinc/49/34/14/377493414.db2.gz WKYCMMGVAJISNH-CZUORRHYSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCN(C)CCN(CC)[C@@H](C)C(=O)NC1CCCCC1 ZINC000429717107 377519042 /nfs/dbraw/zinc/51/90/42/377519042.db2.gz PXIQSLYKSURIIK-HNNXBMFYSA-N 0 3 295.471 2.264 20 30 CEEDHN C=CCN(C)CCN(CC)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000429698161 377520283 /nfs/dbraw/zinc/52/02/83/377520283.db2.gz BXPMBSYAHSVSHY-CVEARBPZSA-N 0 3 295.471 2.121 20 30 CEEDHN COCCOc1ccccc1CNCC1(CC#N)CC1 ZINC000430020896 377524422 /nfs/dbraw/zinc/52/44/22/377524422.db2.gz QFWJFBKAWHLOCA-UHFFFAOYSA-N 0 3 274.364 2.495 20 30 CEEDHN C=CCN(C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000429196874 377511891 /nfs/dbraw/zinc/51/18/91/377511891.db2.gz MKTIDYBWWDRHSQ-UHFFFAOYSA-N 0 3 277.368 2.277 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC(C)=C[C@@H](C)C1 ZINC000430266115 377528412 /nfs/dbraw/zinc/52/84/12/377528412.db2.gz XFDOGGIZPAENHA-UKRRQHHQSA-N 0 3 262.397 2.474 20 30 CEEDHN N#Cc1nccnc1NC[C@H]1CCCN1Cc1ccccc1 ZINC000265136148 190160559 /nfs/dbraw/zinc/16/05/59/190160559.db2.gz OQXGTTHJNIRQBI-OAHLLOKOSA-N 0 3 293.374 2.425 20 30 CEEDHN C=CCCCN1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000265480525 190185129 /nfs/dbraw/zinc/18/51/29/190185129.db2.gz SJAJQMVKDJRKEC-UHFFFAOYSA-N 0 3 294.420 2.382 20 30 CEEDHN C[C@H](C(=O)NCC1(CC#N)CC1)N1CCCCCC1 ZINC000431154200 377608845 /nfs/dbraw/zinc/60/88/45/377608845.db2.gz UOTFZFYWIGHRDM-CYBMUJFWSA-N 0 3 263.385 2.061 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000565770765 377694505 /nfs/dbraw/zinc/69/45/05/377694505.db2.gz LAABIPSJEZNGLN-BFHYXJOUSA-N 0 3 292.427 2.098 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](C)C1 ZINC000265833661 190211395 /nfs/dbraw/zinc/21/13/95/190211395.db2.gz LQCRQFOUDANFRG-GFCCVEGCSA-N 0 3 260.337 2.287 20 30 CEEDHN CS(=O)(=O)CCCN[C@@H](CCCC#N)c1ccccc1 ZINC000433011328 377778103 /nfs/dbraw/zinc/77/81/03/377778103.db2.gz FOBDUPYOOVMMJX-HNNXBMFYSA-N 0 3 294.420 2.446 20 30 CEEDHN COC[C@H](C)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433301243 377784480 /nfs/dbraw/zinc/78/44/80/377784480.db2.gz GDPIWFCPLODHFP-ZFWWWQNUSA-N 0 3 274.364 2.252 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)CCN1C ZINC000333536194 377775430 /nfs/dbraw/zinc/77/54/30/377775430.db2.gz KCGLCXZLGCPQBH-IOASZLSFSA-N 0 3 275.396 2.059 20 30 CEEDHN CCC(C)(C)N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000567111655 377801670 /nfs/dbraw/zinc/80/16/70/377801670.db2.gz TVLTVLWUYNEZRL-UHFFFAOYSA-N 0 3 257.341 2.221 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccn(C(F)F)n1 ZINC000435742043 377811413 /nfs/dbraw/zinc/81/14/13/377811413.db2.gz LNRHQPKSLHYDNF-JQWIXIFHSA-N 0 3 271.311 2.349 20 30 CEEDHN CCN(CCC#N)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000433321574 377789751 /nfs/dbraw/zinc/78/97/51/377789751.db2.gz YFLDNGMZXNNKRF-HNNXBMFYSA-N 0 3 273.380 2.442 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(Cl)ccc1OC ZINC000293856392 377791232 /nfs/dbraw/zinc/79/12/32/377791232.db2.gz AVQBCZISWAQSDV-UHFFFAOYSA-N 0 3 294.782 2.034 20 30 CEEDHN CCCN(C)CC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000439671155 377927516 /nfs/dbraw/zinc/92/75/16/377927516.db2.gz ZUVIUQSHCWZFDK-OAHLLOKOSA-N 0 3 273.380 2.489 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)NCC2CCC(C#N)CC2)CCCN1C ZINC000440984884 377933007 /nfs/dbraw/zinc/93/30/07/377933007.db2.gz HCCMTTGIPKOGPV-PPWQZUPISA-N 0 3 292.427 2.098 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000438461106 377901857 /nfs/dbraw/zinc/90/18/57/377901857.db2.gz PEMMDCFPDRKFBT-GOEBONIOSA-N 0 3 282.428 2.204 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCCOc2ccc(Cl)cn2)C1 ZINC000442814151 378003536 /nfs/dbraw/zinc/00/35/36/378003536.db2.gz CLZSXTYVQJYJCK-PWSUYJOCSA-N 0 3 265.744 2.396 20 30 CEEDHN C#CCO[C@H](C)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000295188194 378047815 /nfs/dbraw/zinc/04/78/15/378047815.db2.gz UOHUKSPLJPOGQW-CYBMUJFWSA-N 0 3 274.364 2.033 20 30 CEEDHN C[C@H]1CN(C(=O)c2cccc(C#N)c2)CCN(C2CC2)C1 ZINC000295226273 378059115 /nfs/dbraw/zinc/05/91/15/378059115.db2.gz BCOTURFABHWMOH-CYBMUJFWSA-N 0 3 283.375 2.115 20 30 CEEDHN CC(C)[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000444770976 378080762 /nfs/dbraw/zinc/08/07/62/378080762.db2.gz NEJJRMRZSINYFQ-CJNGLKHVSA-N 0 3 277.412 2.163 20 30 CEEDHN Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCC[C@@H](C#N)C1 ZINC000447539646 378113303 /nfs/dbraw/zinc/11/33/03/378113303.db2.gz HMMXBXLIFUNOAZ-BZPMIXESSA-N 0 3 258.369 2.469 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1cnc2ccccn12 ZINC000448509572 378171555 /nfs/dbraw/zinc/17/15/55/378171555.db2.gz GDZICWWWNJCFSJ-UHFFFAOYSA-N 0 3 272.396 2.274 20 30 CEEDHN CN(C)C(=O)N[C@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000449745005 378226348 /nfs/dbraw/zinc/22/63/48/378226348.db2.gz KTNNIIVVJHDMNN-ZDUSSCGKSA-N 0 3 280.416 2.052 20 30 CEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000450106857 378296002 /nfs/dbraw/zinc/29/60/02/378296002.db2.gz POQQYMKHXJHTTB-DEICHXMPSA-N 0 3 297.402 2.315 20 30 CEEDHN C=C(C)COCCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000450132940 378303277 /nfs/dbraw/zinc/30/32/77/378303277.db2.gz FUPSNRQPUGFRDO-INIZCTEOSA-N 0 3 294.439 2.492 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@](C)(O)c1ccco1 ZINC000266138631 190233724 /nfs/dbraw/zinc/23/37/24/190233724.db2.gz GKPMPXLPDDRYTE-QGZVFWFLSA-N 0 3 285.343 2.289 20 30 CEEDHN CC[C@@H]1CCCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000298449939 378731464 /nfs/dbraw/zinc/73/14/64/378731464.db2.gz GXZQUMHOBSIOHR-MRXNPFEDSA-N 0 3 285.391 2.439 20 30 CEEDHN C=CC[C@@H](C)NCc1c(Br)cnn1C ZINC000278488615 194007439 /nfs/dbraw/zinc/00/74/39/194007439.db2.gz LTDMAKQENUGOOJ-MRVPVSSYSA-N 0 3 258.163 2.237 20 30 CEEDHN N#Cc1ccccc1OCCN1CCN(C2CCCC2)CC1 ZINC000299095499 378898640 /nfs/dbraw/zinc/89/86/40/378898640.db2.gz VFBHHQCFOUNOAO-UHFFFAOYSA-N 0 3 299.418 2.497 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cccc(C#N)c1 ZINC000299100148 378899865 /nfs/dbraw/zinc/89/98/65/378899865.db2.gz RTWUJLANOKZKCQ-KGLIPLIRSA-N 0 3 285.391 2.408 20 30 CEEDHN C#CC[C@H](NC[C@@H](O)CCOCC)c1ccccc1 ZINC000278859608 194186478 /nfs/dbraw/zinc/18/64/78/194186478.db2.gz RZCRHOVLVDDVIG-HOTGVXAUSA-N 0 3 261.365 2.128 20 30 CEEDHN CC(C)N(CCN(C)C)c1ccc([N+](=O)[O-])cc1C#N ZINC000302224005 379335576 /nfs/dbraw/zinc/33/55/76/379335576.db2.gz QCSMMRLZVUKCOF-UHFFFAOYSA-N 0 3 276.340 2.243 20 30 CEEDHN COC(=O)c1cc(CNCc2ccc(CC#N)cc2)cn1C ZINC000519545152 379435394 /nfs/dbraw/zinc/43/53/94/379435394.db2.gz SIHOTTNWELFOPY-UHFFFAOYSA-N 0 3 297.358 2.168 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000519815061 379457607 /nfs/dbraw/zinc/45/76/07/379457607.db2.gz GMZJTPYKHZODAQ-MCIONIFRSA-N 0 3 279.409 2.074 20 30 CEEDHN C=CCC[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1ccco1 ZINC000279000321 194245884 /nfs/dbraw/zinc/24/58/84/194245884.db2.gz RESIXSDFEPSVRI-CHWSQXEVSA-N 0 3 262.353 2.497 20 30 CEEDHN C=CCN1CCC(Nc2ncc(Cl)cn2)CC1 ZINC000267078685 190301782 /nfs/dbraw/zinc/30/17/82/190301782.db2.gz JVZJMOXOMBOKHJ-UHFFFAOYSA-N 0 3 252.749 2.192 20 30 CEEDHN C[C@H](O)C[C@@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000305237720 379694711 /nfs/dbraw/zinc/69/47/11/379694711.db2.gz ZAURXAPYFJEAQE-BBRMVZONSA-N 0 3 261.340 2.413 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000468770516 380069755 /nfs/dbraw/zinc/06/97/55/380069755.db2.gz AXVUUEAOYUFKDK-QKPAOTATSA-N 0 3 294.439 2.204 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)c2ccncn2)c1C ZINC000487496014 380085952 /nfs/dbraw/zinc/08/59/52/380085952.db2.gz CORRUQKLOMLRBK-GFCCVEGCSA-N 0 3 266.304 2.339 20 30 CEEDHN C[C@H]1C[C@@H]1CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000488295192 380092131 /nfs/dbraw/zinc/09/21/31/380092131.db2.gz LQJVUBNRYVZQDD-WMLDXEAASA-N 0 3 269.392 2.332 20 30 CEEDHN CCC(C#N)(CC)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000528811354 380108192 /nfs/dbraw/zinc/10/81/92/380108192.db2.gz UUFBKENVVYBKRC-NEPJUHHUSA-N 0 3 263.385 2.058 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000268158180 190381955 /nfs/dbraw/zinc/38/19/55/190381955.db2.gz OBQXBLHMILXQAU-ZUZCIYMTSA-N 0 3 286.335 2.361 20 30 CEEDHN C#CCN(CC)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000268174994 190383505 /nfs/dbraw/zinc/38/35/05/190383505.db2.gz RJYVERYTECAQNB-DOTOQJQBSA-N 0 3 299.418 2.314 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ccc(Cl)c(C#N)n1 ZINC000268183056 190383731 /nfs/dbraw/zinc/38/37/31/190383731.db2.gz UBZKKIUPSGVVNW-GWCFXTLKSA-N 0 3 278.787 2.383 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000268320896 190395428 /nfs/dbraw/zinc/39/54/28/190395428.db2.gz ZRWKXCUPKNCFBL-IUODEOHRSA-N 0 3 262.397 2.354 20 30 CEEDHN CC(C#N)C(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000536622160 380227104 /nfs/dbraw/zinc/22/71/04/380227104.db2.gz AAUZNONPEKFNCF-GZMMTYOYSA-N 0 3 286.253 2.015 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000536622162 380227919 /nfs/dbraw/zinc/22/79/19/380227919.db2.gz AAUZNONPEKFNCF-KWQFWETISA-N 0 3 286.253 2.015 20 30 CEEDHN C=CCCCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000279078028 194274726 /nfs/dbraw/zinc/27/47/26/194274726.db2.gz DSGRRVSFJPPQOM-INIZCTEOSA-N 0 3 289.423 2.425 20 30 CEEDHN CC(=O)Nc1cc(C(=O)C(C#N)c2ccncn2)ccc1C ZINC000545446710 380389761 /nfs/dbraw/zinc/38/97/61/380389761.db2.gz QMCKCOLPXLHWTM-ZDUSSCGKSA-N 0 3 294.314 2.234 20 30 CEEDHN C#CCN1CCC(C(=O)NC2CCC3(CC3)CC2)CC1 ZINC000491704925 380345929 /nfs/dbraw/zinc/34/59/29/380345929.db2.gz IHYPPNDNYXYLBQ-UHFFFAOYSA-N 0 3 274.408 2.171 20 30 CEEDHN N#CCC1CCN(C[C@H](O)COCc2cccs2)CC1 ZINC000543807844 380346992 /nfs/dbraw/zinc/34/69/92/380346992.db2.gz RNRSAKGHMJMICP-AWEZNQCLSA-N 0 3 294.420 2.251 20 30 CEEDHN COCC1(O)CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000275770283 284829775 /nfs/dbraw/zinc/82/97/75/284829775.db2.gz YSJJGNKBJNNBRD-ZDUSSCGKSA-N 0 3 274.364 2.093 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000334511429 380511849 /nfs/dbraw/zinc/51/18/49/380511849.db2.gz IHIZPNKRFSIEPR-UONOGXRCSA-N 0 3 279.428 2.324 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000334511410 380512212 /nfs/dbraw/zinc/51/22/12/380512212.db2.gz IHIZPNKRFSIEPR-KBPBESRZSA-N 0 3 279.428 2.324 20 30 CEEDHN C[C@H]1C[C@H](C)N1CCC(=O)Nc1cccc(C#N)c1 ZINC000548426796 380516281 /nfs/dbraw/zinc/51/62/81/380516281.db2.gz KTILVNFOFRBRDX-RYUDHWBXSA-N 0 3 257.337 2.370 20 30 CEEDHN CN(C)C/C=C/C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000493560269 269684713 /nfs/dbraw/zinc/68/47/13/269684713.db2.gz SJOJMJNZEBVWLM-IEXSPKMKSA-N 0 3 283.375 2.170 20 30 CEEDHN CC(C)[C@H](CO)CNC(=O)C(C#N)CCc1ccccc1 ZINC000554052524 380755110 /nfs/dbraw/zinc/75/51/10/380755110.db2.gz PDYYKCBNVAHGAN-HOTGVXAUSA-N 0 3 288.391 2.140 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@](C)(OC)C1 ZINC000279206557 194332813 /nfs/dbraw/zinc/33/28/13/194332813.db2.gz BINLBTIDYCCYIL-HOCLYGCPSA-N 0 3 280.412 2.076 20 30 CEEDHN CC(C#N)C(=O)N1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000495576168 381176800 /nfs/dbraw/zinc/17/68/00/381176800.db2.gz YYGGCOCFDIEIFC-SDDRHHMPSA-N 0 3 295.383 2.002 20 30 CEEDHN C=CCC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000495859856 381187927 /nfs/dbraw/zinc/18/79/27/381187927.db2.gz UBDBHMLDVWMGCG-HZSPNIEDSA-N 0 3 298.427 2.159 20 30 CEEDHN C=CCOCCCN1CCCC[C@H]1COC(=O)NCC ZINC000495814267 381188607 /nfs/dbraw/zinc/18/86/07/381188607.db2.gz NHKKCVTZWJWQFF-AWEZNQCLSA-N 0 3 284.400 2.180 20 30 CEEDHN CC#CCN1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496027126 381194027 /nfs/dbraw/zinc/19/40/27/381194027.db2.gz GYRLMOUPYIRKFW-KBPBESRZSA-N 0 3 280.412 2.492 20 30 CEEDHN CC#CCN1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496027128 381194690 /nfs/dbraw/zinc/19/46/90/381194690.db2.gz GYRLMOUPYIRKFW-UONOGXRCSA-N 0 3 280.412 2.492 20 30 CEEDHN CN(CCCC#N)CCCN(C)C(=O)OC(C)(C)C ZINC000496253306 381204990 /nfs/dbraw/zinc/20/49/90/381204990.db2.gz HYORHLFGMLNEKM-UHFFFAOYSA-N 0 3 269.389 2.479 20 30 CEEDHN Cc1nsc(NC(=O)C(C)C(F)(F)F)c1C#N ZINC000334817358 207128705 /nfs/dbraw/zinc/12/87/05/207128705.db2.gz CFKYZIVAZMPMIC-SCSAIBSYSA-N 0 3 263.244 2.460 20 30 CEEDHN CC(C#N)C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000347075064 533113791 /nfs/dbraw/zinc/11/37/91/533113791.db2.gz COCNCWYBVAINHX-VIFPVBQESA-N 0 3 259.284 2.125 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC000334150867 533119799 /nfs/dbraw/zinc/11/97/99/533119799.db2.gz NYNCRZVFMLXWTI-XVKPBYJWSA-N 0 3 250.685 2.049 20 30 CEEDHN COc1cc(CNC[C@@H](CO)c2ccccc2)ccc1C#N ZINC000281636212 195316885 /nfs/dbraw/zinc/31/68/85/195316885.db2.gz IQFJRXXRJNNXMO-KRWDZBQOSA-N 0 3 296.370 2.433 20 30 CEEDHN C#CCCOc1ccc(CNCCOCC(F)F)cc1 ZINC000190902242 130159239 /nfs/dbraw/zinc/15/92/39/130159239.db2.gz DCZIALPSZLTGRY-UHFFFAOYSA-N 0 3 283.318 2.460 20 30 CEEDHN C[C@@H](C[C@@H](O)c1ccccc1)NCc1cc(C#N)n(C)c1 ZINC000191513626 130246943 /nfs/dbraw/zinc/24/69/43/130246943.db2.gz LMBQOVZUXXLUFN-SUMWQHHRSA-N 0 3 283.375 2.499 20 30 CEEDHN C=CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000262299461 131209972 /nfs/dbraw/zinc/20/99/72/131209972.db2.gz XGRSCJDZTILDQJ-LSDHHAIUSA-N 0 3 258.365 2.296 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCOCC)C(C)C ZINC000264002339 131376785 /nfs/dbraw/zinc/37/67/85/131376785.db2.gz GGNWLVPLADJRMW-HNNXBMFYSA-N 0 3 282.428 2.228 20 30 CEEDHN CC(C)N1CCC(NC(=O)c2sccc2C#N)CC1 ZINC000052034091 394557351 /nfs/dbraw/zinc/55/73/51/394557351.db2.gz MUESRYKVUAODMY-UHFFFAOYSA-N 0 3 277.393 2.222 20 30 CEEDHN C[C@H](CO)N(CC(=O)NC1(C#N)CCC1)C1CCCC1 ZINC000329492826 394567694 /nfs/dbraw/zinc/56/76/94/394567694.db2.gz UBQLSLXSDTZEMA-GFCCVEGCSA-N 0 3 279.384 2.015 20 30 CEEDHN C[N@H+](CCNC(=O)c1csc(=O)[n-]1)C1CCCCC1 ZINC000329903034 394593250 /nfs/dbraw/zinc/59/32/50/394593250.db2.gz ICFWNSORJWEZAK-UHFFFAOYSA-N 0 3 283.397 2.418 20 30 CEEDHN C[N@@H+](CCNC(=O)c1csc(=O)[n-]1)C1CCCCC1 ZINC000329903034 394593253 /nfs/dbraw/zinc/59/32/53/394593253.db2.gz ICFWNSORJWEZAK-UHFFFAOYSA-N 0 3 283.397 2.418 20 30 CEEDHN C=CCCC1(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000356369970 394576217 /nfs/dbraw/zinc/57/62/17/394576217.db2.gz ZBLZKMLTYCRJIH-QWHCGFSZSA-N 0 3 262.397 2.474 20 30 CEEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCCC2(CC2)C1 ZINC000329629740 394578293 /nfs/dbraw/zinc/57/82/93/394578293.db2.gz VEWVBTRAVXUGCM-LLVKDONJSA-N 0 3 274.368 2.057 20 30 CEEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCCC2(CC2)C1 ZINC000329629740 394578295 /nfs/dbraw/zinc/57/82/95/394578295.db2.gz VEWVBTRAVXUGCM-LLVKDONJSA-N 0 3 274.368 2.057 20 30 CEEDHN Cc1nn(-c2ccncc2)cc1CN1CCC(C#N)CC1 ZINC000329766263 394584388 /nfs/dbraw/zinc/58/43/88/394584388.db2.gz XXBHARIKOQCUMF-UHFFFAOYSA-N 0 3 281.363 2.311 20 30 CEEDHN C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000329823349 394588026 /nfs/dbraw/zinc/58/80/26/394588026.db2.gz ZMRLEYQDUJGUST-NZBPQXDJSA-N 0 3 296.411 2.010 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)c2cnc(C)nc2C2CC2)C1 ZINC000329849456 394589446 /nfs/dbraw/zinc/58/94/46/394589446.db2.gz RWQQKDCSDVSAMC-CYBMUJFWSA-N 0 3 288.395 2.451 20 30 CEEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000320351918 394545859 /nfs/dbraw/zinc/54/58/59/394545859.db2.gz FRZCDBZKPWCWIV-TZMCWYRMSA-N 0 3 297.420 2.068 20 30 CEEDHN N#Cc1cccc(CNCc2c[nH]c3nccnc23)c1 ZINC000356178754 394554791 /nfs/dbraw/zinc/55/47/91/394554791.db2.gz UMUVRZQMFWUWAV-UHFFFAOYSA-N 0 3 263.304 2.071 20 30 CEEDHN C[C@H](NC(=O)C1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000266201016 394660831 /nfs/dbraw/zinc/66/08/31/394660831.db2.gz YYBXFNVXVWAMDX-LBPRGKRZSA-N 0 3 271.364 2.077 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000334209782 394664801 /nfs/dbraw/zinc/66/48/01/394664801.db2.gz 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/nfs/dbraw/zinc/94/17/11/394941711.db2.gz BSHDNBTWMPPEOT-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN CCCCCCCN1CC[C@H](CS(C)(=O)=O)C1 ZINC000366557056 394948652 /nfs/dbraw/zinc/94/86/52/394948652.db2.gz OGDXDNFMGXLMRE-ZDUSSCGKSA-N 0 3 261.431 2.323 20 30 CEEDHN CC#CCN(C)C[C@@H]1CCCN(CC)[C@@H]1c1cnn(C)c1 ZINC000339201052 394950332 /nfs/dbraw/zinc/95/03/32/394950332.db2.gz IDNRFNBJAJZDEK-RDJZCZTQSA-N 0 3 288.439 2.148 20 30 CEEDHN CNC(=O)[C@@H](C)CN(C)CC#Cc1cccc(Cl)c1 ZINC000154274477 395022184 /nfs/dbraw/zinc/02/21/84/395022184.db2.gz DTGVVOIVJQQHDN-LBPRGKRZSA-N 0 3 278.783 2.005 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000342853949 395024464 /nfs/dbraw/zinc/02/44/64/395024464.db2.gz PEYKYNYJEXLHSJ-DGCLKSJQSA-N 0 3 250.386 2.188 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)C(C)(C)C#N)CN1Cc1ccccc1 ZINC000134945879 394960632 /nfs/dbraw/zinc/96/06/32/394960632.db2.gz DXJYVDXQIJLVSR-ZFWWWQNUSA-N 0 3 285.391 2.315 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N(C)CC1CCN(C)CC1 ZINC000135020243 394961495 /nfs/dbraw/zinc/96/14/95/394961495.db2.gz PPQQBCVCNXAILW-OAHLLOKOSA-N 0 3 252.402 2.389 20 30 CEEDHN C=CCCCCCN(C)CC(=O)N1CCOC[C@H]1C1CC1 ZINC000367351444 394961869 /nfs/dbraw/zinc/96/18/69/394961869.db2.gz JCVMLUQCFJDYGI-INIZCTEOSA-N 0 3 294.439 2.302 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N(CCN(C)C)C(C)C)OCC ZINC000339486132 394962085 /nfs/dbraw/zinc/96/20/85/394962085.db2.gz GSOBGIBHDWFQOS-CQSZACIVSA-N 0 3 270.417 2.156 20 30 CEEDHN CC(C)(C)[C@H](NCc1ccccc1C(C)(C)C#N)C(N)=O ZINC000135203383 394963772 /nfs/dbraw/zinc/96/37/72/394963772.db2.gz UVKAPNPFDLXYCC-CQSZACIVSA-N 0 3 287.407 2.477 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]1CSC ZINC000135453773 394966195 /nfs/dbraw/zinc/96/61/95/394966195.db2.gz YJRUCFITWUNURY-ZDUSSCGKSA-N 0 3 268.426 2.014 20 30 CEEDHN Cc1nsc(N2CC[C@H](N3CCCCC3)C2)c1C#N ZINC000286648824 395026147 /nfs/dbraw/zinc/02/61/47/395026147.db2.gz DNKJMIDPRORBMG-LBPRGKRZSA-N 0 3 276.409 2.388 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000339927760 394974427 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ZINC000373783506 395066260 /nfs/dbraw/zinc/06/62/60/395066260.db2.gz QWYGBUFJIDCDDU-UHFFFAOYSA-N 0 3 267.336 2.255 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)CC1 ZINC000416685855 395067895 /nfs/dbraw/zinc/06/78/95/395067895.db2.gz MNINVZFLSVTSQT-IHRRRGAJSA-N 0 3 279.428 2.323 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@H](C(=O)OC)C2)cc1 ZINC000289089491 395070760 /nfs/dbraw/zinc/07/07/60/395070760.db2.gz LEHCDDMWHLZVGN-HNNXBMFYSA-N 0 3 257.333 2.053 20 30 CEEDHN CC#CCCN1CCC(NC(=O)c2scnc2C)CC1 ZINC000375853963 395101430 /nfs/dbraw/zinc/10/14/30/395101430.db2.gz YCBHVIPPITUJBF-UHFFFAOYSA-N 0 3 291.420 2.059 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000345648215 395071673 /nfs/dbraw/zinc/07/16/73/395071673.db2.gz MXWRDFQTLVSOCJ-LLVKDONJSA-N 0 3 288.347 2.418 20 30 CEEDHN CC(C#N)C(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000345653656 395071722 /nfs/dbraw/zinc/07/17/22/395071722.db2.gz CLSKGMOOZLSWHI-CYBMUJFWSA-N 0 3 271.364 2.405 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)N[C@@H](C)CN(C)C ZINC000289198258 395072460 /nfs/dbraw/zinc/07/24/60/395072460.db2.gz RXFXUEOXMOXRPY-ZDUSSCGKSA-N 0 3 291.395 2.001 20 30 CEEDHN C#Cc1ccc(CN2CC[C@H](OCCOCC)C2)cc1 ZINC000289329237 395074554 /nfs/dbraw/zinc/07/45/54/395074554.db2.gz USVVDCXWIKZWBZ-KRWDZBQOSA-N 0 3 273.376 2.295 20 30 CEEDHN CCN(CC)C(=O)[C@@H]1CCCN1CCC(C)(C)C#N ZINC000345749744 395075493 /nfs/dbraw/zinc/07/54/93/395075493.db2.gz YRUOQOLSPAFBFW-ZDUSSCGKSA-N 0 3 265.401 2.259 20 30 CEEDHN C#C[C@H](C)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000289339603 395075715 /nfs/dbraw/zinc/07/57/15/395075715.db2.gz HRJJSOIAKNWPHZ-LBPRGKRZSA-N 0 3 264.332 2.070 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000374278072 395078459 /nfs/dbraw/zinc/07/84/59/395078459.db2.gz DGWSKVPRNBAJBW-IHRRRGAJSA-N 0 3 265.401 2.077 20 30 CEEDHN N#CC1(c2ccccn2)CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000374296623 395079521 /nfs/dbraw/zinc/07/95/21/395079521.db2.gz WZCFQQWGUDYGDJ-HUUCEWRRSA-N 0 3 285.391 2.242 20 30 CEEDHN C=CCn1c(CC(C)C)nnc1N1CCCN(CC)CC1 ZINC000289654864 395082806 /nfs/dbraw/zinc/08/28/06/395082806.db2.gz LUWGQZNLVXHTGV-UHFFFAOYSA-N 0 3 291.443 2.195 20 30 CEEDHN C=CCCCN1[C@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000374511191 395083209 /nfs/dbraw/zinc/08/32/09/395083209.db2.gz ATBHVFIHDRYRCL-RFGFWPKPSA-N 0 3 267.369 2.136 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(OC)c(OCCC)c1 ZINC000289728327 395085486 /nfs/dbraw/zinc/08/54/86/395085486.db2.gz GCFMIPRYIPXIJP-CYBMUJFWSA-N 0 3 265.353 2.121 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C1(C#N)CCC1 ZINC000346082506 395087335 /nfs/dbraw/zinc/08/73/35/395087335.db2.gz GUFOTFGAHDRXMR-CHWSQXEVSA-N 0 3 263.385 2.059 20 30 CEEDHN Cc1cc(C)c(C#N)c(N2CC[C@H]3CCN(C)[C@H]3C2)n1 ZINC000375050601 395090122 /nfs/dbraw/zinc/09/01/22/395090122.db2.gz SCCSXZVUUFMJMO-HIFRSBDPSA-N 0 3 270.380 2.101 20 30 CEEDHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1ccc(C#N)cn1 ZINC000171634348 395096266 /nfs/dbraw/zinc/09/62/66/395096266.db2.gz PCKOIVKARZUOCP-BONVTDFDSA-N 0 3 295.298 2.120 20 30 CEEDHN CN(C)[C@@H](CC(=O)N[C@@]1(C#N)CC1(C)C)c1ccccc1 ZINC000416235364 395035396 /nfs/dbraw/zinc/03/53/96/395035396.db2.gz SZLJMBSCFFSSJV-WMLDXEAASA-N 0 3 285.391 2.488 20 30 CEEDHN C=C(CNC(=O)NC[C@H](C)N(C)C1CC1)c1ccccc1 ZINC000287269326 395037144 /nfs/dbraw/zinc/03/71/44/395037144.db2.gz DOZLRBSIXXTWJZ-AWEZNQCLSA-N 0 3 287.407 2.482 20 30 CEEDHN C[C@@H]1CN(CC2CCN(CC3(C#N)CC3)CC2)C[C@H](C)O1 ZINC000343318091 395037221 /nfs/dbraw/zinc/03/72/21/395037221.db2.gz WKTKIOFDNPMXPC-GASCZTMLSA-N 0 3 291.439 2.111 20 30 CEEDHN C#CCCN1CCCN(C(=O)CC2CCCC2)CC1 ZINC000372393557 395041488 /nfs/dbraw/zinc/04/14/88/395041488.db2.gz UJQSDOOQNUYHNM-UHFFFAOYSA-N 0 3 262.397 2.124 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2c(C)ccnc2C)CC1 ZINC000287423144 395041605 /nfs/dbraw/zinc/04/16/05/395041605.db2.gz FZDICXLGPNSIMF-UHFFFAOYSA-N 0 3 288.395 2.470 20 30 CEEDHN C#CCC(CC#C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000287720459 395046034 /nfs/dbraw/zinc/04/60/34/395046034.db2.gz DVVXQEDXCMZCHQ-QAPCUYQASA-N 0 3 296.414 2.457 20 30 CEEDHN CC(C)[C@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346969470 395114410 /nfs/dbraw/zinc/11/44/10/395114410.db2.gz FPPRLUZIIAHOGY-KBPBESRZSA-N 0 3 277.412 2.305 20 30 CEEDHN C=C[C@](C)(O)CC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000290693770 395114538 /nfs/dbraw/zinc/11/45/38/395114538.db2.gz IZUOVRBPAJXUJL-COXVUDFISA-N 0 3 290.407 2.121 20 30 CEEDHN C=CC[C@H](C)NCc1cnc(C2OCCO2)s1 ZINC000290534672 395107761 /nfs/dbraw/zinc/10/77/61/395107761.db2.gz YHEIPFOZLPIJLB-VIFPVBQESA-N 0 3 254.355 2.243 20 30 CEEDHN CCC(CC)CN(CC)CC(=O)NC1(C#N)CCC1 ZINC000346833840 395109534 /nfs/dbraw/zinc/10/95/34/395109534.db2.gz WWLAYPPGISHIPQ-UHFFFAOYSA-N 0 3 265.401 2.307 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cscc1C#N ZINC000432879061 395181839 /nfs/dbraw/zinc/18/18/39/395181839.db2.gz NWQWLLFBWBZFGT-NEPJUHHUSA-N 0 3 291.420 2.470 20 30 CEEDHN Cc1ccc2ncc(C#N)c(N3CC(N(C)C)C3)c2c1 ZINC000291824444 395169872 /nfs/dbraw/zinc/16/98/72/395169872.db2.gz GCEWQQAGFGOLSH-UHFFFAOYSA-N 0 3 266.348 2.165 20 30 CEEDHN C=CCc1cc(CN(CC)[C@@H](C)CO)cc(OC)c1O ZINC000293568948 395240411 /nfs/dbraw/zinc/24/04/11/395240411.db2.gz GVVQYYUANDTOJY-LBPRGKRZSA-N 0 3 279.380 2.332 20 30 CEEDHN CN(CCNc1n[nH]c(C2CC2)c1C#N)Cc1ccccc1 ZINC000418966831 395243824 /nfs/dbraw/zinc/24/38/24/395243824.db2.gz YEWORQRRIKUCSD-UHFFFAOYSA-N 0 3 295.390 2.125 20 30 CEEDHN CN(C)C1(CNc2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000419005608 395245865 /nfs/dbraw/zinc/24/58/65/395245865.db2.gz GSWKVRGWUFYWBD-UHFFFAOYSA-N 0 3 284.285 2.478 20 30 CEEDHN N#Cc1ccc(C(=O)N2CCNC3(CCCCC3)C2)cc1 ZINC000400723540 395254329 /nfs/dbraw/zinc/25/43/29/395254329.db2.gz FBUYRVUKRXUCBO-UHFFFAOYSA-N 0 3 283.375 2.307 20 30 CEEDHN C=CCOCCN1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000293706590 395248515 /nfs/dbraw/zinc/24/85/15/395248515.db2.gz DGHZGOIYYQPZLC-CQSZACIVSA-N 0 3 278.400 2.241 20 30 CEEDHN C[C@]1(NCc2ccc(C#N)cn2)CCO[C@H]1C1CC1 ZINC000517387544 395189584 /nfs/dbraw/zinc/18/95/84/395189584.db2.gz JQLSHOSCSVWCLK-GJZGRUSLSA-N 0 3 257.337 2.000 20 30 CEEDHN Cc1cc(C)c(C#N)c(N2CC[C@@]3(C2)CCCN(C)C3)n1 ZINC000292907682 395209736 /nfs/dbraw/zinc/20/97/36/395209736.db2.gz XDFBKQKENSARJG-KRWDZBQOSA-N 0 3 284.407 2.492 20 30 CEEDHN CCCC[C@@H](C)N(C)CC(=O)N(CC)CCC#N ZINC000352421695 395252812 /nfs/dbraw/zinc/25/28/12/395252812.db2.gz DKOJYZFBBCADEV-CYBMUJFWSA-N 0 3 253.390 2.259 20 30 CEEDHN C[C@@H](CCC#N)N1CCC(Cc2nccn2C)CC1 ZINC000411246850 395324815 /nfs/dbraw/zinc/32/48/15/395324815.db2.gz OOPOTQOAPJETRG-ZDUSSCGKSA-N 0 3 260.385 2.367 20 30 CEEDHN Cc1nc(NC[C@@H]2CCN2C2CCCC2)ccc1C#N ZINC000528207257 395287567 /nfs/dbraw/zinc/28/75/67/395287567.db2.gz BCXRTLOZKGTCGS-HNNXBMFYSA-N 0 3 270.380 2.112 20 30 CEEDHN COCCO[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000186314564 395289372 /nfs/dbraw/zinc/28/93/72/395289372.db2.gz CUJWLWRMUKBSGP-KRWDZBQOSA-N 0 3 288.391 2.494 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528758218 395294070 /nfs/dbraw/zinc/29/40/70/395294070.db2.gz FJVZSZHFDKTXBA-BUWBCJGYSA-N 0 3 274.364 2.468 20 30 CEEDHN CC[C@H]1CN(CCN[C@H]2CCc3ccc(C#N)cc32)CCO1 ZINC000353597676 395303007 /nfs/dbraw/zinc/30/30/07/395303007.db2.gz QSVVNGYXPPUZFH-WMZOPIPTSA-N 0 3 299.418 2.246 20 30 CEEDHN COCCN(CCOC)CCC1(C#N)CCCCC1 ZINC000411134393 395319861 /nfs/dbraw/zinc/31/98/61/395319861.db2.gz NVWLQQOWCSPSME-UHFFFAOYSA-N 0 3 268.401 2.445 20 30 CEEDHN CC(C)OCCCN(C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000354236103 395321683 /nfs/dbraw/zinc/32/16/83/395321683.db2.gz GLJKSSCUBYNDIQ-GOEBONIOSA-N 0 3 297.443 2.176 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc2nccc(C)c2c1 ZINC000293910557 395258049 /nfs/dbraw/zinc/25/80/49/395258049.db2.gz GAOKDRWPZWTJDV-UHFFFAOYSA-N 0 3 295.386 2.228 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccoc1C(C)C ZINC000293943269 395258781 /nfs/dbraw/zinc/25/87/81/395258781.db2.gz JETMUSNCEAUYQY-UHFFFAOYSA-N 0 3 262.353 2.088 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCc1c[nH]c2ccccc12 ZINC000293933827 395258985 /nfs/dbraw/zinc/25/89/85/395258985.db2.gz IDKFGYDNUSPGMJ-UHFFFAOYSA-N 0 3 297.402 2.172 20 30 CEEDHN C=CCOc1ccccc1CNCCc1cncn1C ZINC000401890469 395265000 /nfs/dbraw/zinc/26/50/00/395265000.db2.gz WYIYGJUYHIUOMO-UHFFFAOYSA-N 0 3 271.364 2.317 20 30 CEEDHN C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412567337 395361613 /nfs/dbraw/zinc/36/16/13/395361613.db2.gz CNZHTQWBEDZMPO-BONVTDFDSA-N 0 3 275.327 2.376 20 30 CEEDHN CN(C)C(=O)c1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442710792 395392238 /nfs/dbraw/zinc/39/22/38/395392238.db2.gz QRSSXNUXIIMRMR-IUODEOHRSA-N 0 3 271.364 2.170 20 30 CEEDHN C=CCCN(C)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411617185 395331524 /nfs/dbraw/zinc/33/15/24/395331524.db2.gz KLAHJQDOROLVDO-AWEZNQCLSA-N 0 3 262.328 2.439 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1cc(C(=O)OC)co1 ZINC000411648224 395334015 /nfs/dbraw/zinc/33/40/15/395334015.db2.gz ZXAYFNBQVLTIRY-UHFFFAOYSA-N 0 3 280.368 2.006 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000411783142 395338778 /nfs/dbraw/zinc/33/87/78/395338778.db2.gz FJTFMBPAMIRCNM-WCVJEAGWSA-N 0 3 292.423 2.101 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCSC2(CCC2)CC1 ZINC000411864781 395340667 /nfs/dbraw/zinc/34/06/67/395340667.db2.gz FFBJIUXQQZFIQR-UHFFFAOYSA-N 0 3 295.452 2.110 20 30 CEEDHN CCN1CCC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000435003631 395342915 /nfs/dbraw/zinc/34/29/15/395342915.db2.gz FJTCDKOAGRWZRV-INIZCTEOSA-N 0 3 297.402 2.190 20 30 CEEDHN Cc1n[nH]c([C@H]2CCN(CC#Cc3ccc(F)cc3)C2)n1 ZINC000412024360 395343998 /nfs/dbraw/zinc/34/39/98/395343998.db2.gz BSJNTFJTMDNZCY-AWEZNQCLSA-N 0 3 284.338 2.093 20 30 CEEDHN Cc1nc([C@H]2CCN(CC#Cc3ccc(F)cc3)C2)n[nH]1 ZINC000412024360 395344003 /nfs/dbraw/zinc/34/40/03/395344003.db2.gz BSJNTFJTMDNZCY-AWEZNQCLSA-N 0 3 284.338 2.093 20 30 CEEDHN Cc1nnc([C@H]2CCN(CC#Cc3ccc(F)cc3)C2)[nH]1 ZINC000412024360 395344008 /nfs/dbraw/zinc/34/40/08/395344008.db2.gz BSJNTFJTMDNZCY-AWEZNQCLSA-N 0 3 284.338 2.093 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H](CO)C(C)(C)C ZINC000444712951 395448692 /nfs/dbraw/zinc/44/86/92/395448692.db2.gz XLPZUEVINXWPQW-AWEZNQCLSA-N 0 3 262.353 2.063 20 30 CEEDHN CS[C@@H](CO)[C@@H](C)NCc1ccc(C#N)c(C)c1 ZINC000443996655 395410415 /nfs/dbraw/zinc/41/04/15/395410415.db2.gz VFXGDBCQOIUVDZ-RISCZKNCSA-N 0 3 264.394 2.069 20 30 CEEDHN C=CCCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000355335130 395413442 /nfs/dbraw/zinc/41/34/42/395413442.db2.gz JERNMBDPTFVRSA-OAHLLOKOSA-N 0 3 274.364 2.158 20 30 CEEDHN CCOC1CC(O)(CN[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000447565311 395505521 /nfs/dbraw/zinc/50/55/21/395505521.db2.gz KFZKTHFOKXVFKM-FFKNIBCLSA-N 0 3 292.354 2.278 20 30 CEEDHN CN1CC[C@H](NCc2ccc(C#N)cn2)[C@H]1c1ccccc1 ZINC000566017867 395495741 /nfs/dbraw/zinc/49/57/41/395495741.db2.gz MWQQCSDZHDGYAN-ZWKOTPCHSA-N 0 3 292.386 2.488 20 30 CEEDHN CC[C@@H]1[C@H](CO)CCN1Cc1ccc(C#N)s1 ZINC000449424465 395548251 /nfs/dbraw/zinc/54/82/51/395548251.db2.gz PDDBQKANPRPTDP-GXFFZTMASA-N 0 3 250.367 2.213 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CC[C@H](Nc2ccccn2)CC1 ZINC000568146668 395549897 /nfs/dbraw/zinc/54/98/97/395549897.db2.gz WILDQGMHWBCJMH-JHJVBQTASA-N 0 3 272.352 2.081 20 30 CEEDHN CN(C(=O)CN[C@H]1CCC1(C)C)C1(C#N)CCCCC1 ZINC000568180727 395549978 /nfs/dbraw/zinc/54/99/78/395549978.db2.gz AQMFBMHOXWICPM-ZDUSSCGKSA-N 0 3 277.412 2.449 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449518733 395552746 /nfs/dbraw/zinc/55/27/46/395552746.db2.gz KRUOYOFHJLWNQZ-DFBGVHRSSA-N 0 3 295.404 2.084 20 30 CEEDHN C=CCOCCN1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000568506590 395563171 /nfs/dbraw/zinc/56/31/71/395563171.db2.gz DARLDSJLTDGEMR-KBPBESRZSA-N 0 3 283.412 2.489 20 30 CEEDHN CC1(C)CCN(CC(=O)N2CCC(CCC#N)CC2)C1 ZINC000568531763 395563283 /nfs/dbraw/zinc/56/32/83/395563283.db2.gz NYKVGDBBEDMSLT-UHFFFAOYSA-N 0 3 277.412 2.261 20 30 CEEDHN C[C@]1(NC(=O)CCCC#N)CCN(Cc2ccccc2)C1 ZINC000568637854 395564140 /nfs/dbraw/zinc/56/41/40/395564140.db2.gz DOOUZNKRAZLBFV-KRWDZBQOSA-N 0 3 285.391 2.461 20 30 CEEDHN CC1(C)CN(CC(=O)NC2(C#N)CCC2)[C@H]2CCC[C@@H]21 ZINC000568870964 395570840 /nfs/dbraw/zinc/57/08/40/395570840.db2.gz RMEGVCNAXQHLAQ-STQMWFEESA-N 0 3 275.396 2.059 20 30 CEEDHN CC(C)CN(Cc1ccc(C#N)cc1)C[C@H]1COCCO1 ZINC000450311327 395570891 /nfs/dbraw/zinc/57/08/91/395570891.db2.gz HJXZAVGIDJESLW-KRWDZBQOSA-N 0 3 288.391 2.432 20 30 CEEDHN C=CCOc1cccc(CN(C)[C@@H](CO)COC(C)C)c1 ZINC000569733359 395580353 /nfs/dbraw/zinc/58/03/53/395580353.db2.gz HMORWFZPKXIVPQ-INIZCTEOSA-N 0 3 293.407 2.469 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)Cc2ccc(C#N)cc2)C1 ZINC000457122708 395634873 /nfs/dbraw/zinc/63/48/73/395634873.db2.gz OXMOMGHPHCCPGU-MRXNPFEDSA-N 0 3 285.391 2.042 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCN(C)[C@@H](C(C)C)C1 ZINC000487983593 395667877 /nfs/dbraw/zinc/66/78/77/395667877.db2.gz WBTPVCVVYOIHJX-MRXNPFEDSA-N 0 3 287.407 2.339 20 30 CEEDHN Cc1nc(N2CCN(C)C[C@H]2C(C)C)ccc1C#N ZINC000488075739 395667991 /nfs/dbraw/zinc/66/79/91/395667991.db2.gz DCWJPSQZLXXZGS-AWEZNQCLSA-N 0 3 258.369 2.038 20 30 CEEDHN Cc1cc(CN2CC[C@H](CN3CCOCC3)C2)ccc1C#N ZINC000488423122 395668281 /nfs/dbraw/zinc/66/82/81/395668281.db2.gz VRGOQRZFNMFUOL-QGZVFWFLSA-N 0 3 299.418 2.021 20 30 CEEDHN CN(CCN1CCCC1)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000491464951 395669868 /nfs/dbraw/zinc/66/98/68/395669868.db2.gz PPJDKRMAHGDPSY-CMDGGOBGSA-N 0 3 283.375 2.126 20 30 CEEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)/C=C\CN(C)C ZINC000491890797 395670825 /nfs/dbraw/zinc/67/08/25/395670825.db2.gz YAHORMITVHPDIL-WAYWQWQTSA-N 0 3 285.391 2.413 20 30 CEEDHN C=CCOc1ccc(CN(C)C[C@@H]2COCCO2)cc1 ZINC000649224971 396094875 /nfs/dbraw/zinc/09/48/75/396094875.db2.gz JGGSZTBHYMCFHU-MRXNPFEDSA-N 0 3 277.364 2.099 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(OCCC(C)C)CC1 ZINC000649248287 396102042 /nfs/dbraw/zinc/10/20/42/396102042.db2.gz AJWXIBOPGRGWQR-HNNXBMFYSA-N 0 3 255.402 2.451 20 30 CEEDHN CCC#C[C@H](C)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000649774295 396256251 /nfs/dbraw/zinc/25/62/51/396256251.db2.gz JZLDINDGUWCKFC-KBPBESRZSA-N 0 3 264.413 2.402 20 30 CEEDHN C=CCCCCCN(C)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000150901785 400281325 /nfs/dbraw/zinc/28/13/25/400281325.db2.gz YQMJHFFEQJQVHB-GJZGRUSLSA-N 0 3 282.428 2.300 20 30 CEEDHN C=CCCCCCN(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000150899159 400281563 /nfs/dbraw/zinc/28/15/63/400281563.db2.gz HHEUOQQZILVJPB-INIZCTEOSA-N 0 3 277.412 2.473 20 30 CEEDHN C=CC[C@H]1N(CC(=O)NC(=O)NC2CC2)CCCC1(C)C ZINC000331399965 400344520 /nfs/dbraw/zinc/34/45/20/400344520.db2.gz ALQTVOJYSBWRET-CYBMUJFWSA-N 0 3 293.411 2.041 20 30 CEEDHN COCCCN(CCOC)Cc1ccc(C#N)c(F)c1 ZINC000191955709 153197171 /nfs/dbraw/zinc/19/71/71/153197171.db2.gz BXVLZXFWCJECLF-UHFFFAOYSA-N 0 3 280.343 2.182 20 30 CEEDHN CN(Cc1cccc(C#N)c1F)C[C@H]1CCCN1C ZINC000221985700 153311175 /nfs/dbraw/zinc/31/11/75/153311175.db2.gz OIKUANKCGSOAKZ-CQSZACIVSA-N 0 3 261.344 2.223 20 30 CEEDHN Cc1nc(C(=O)N[C@H]2CCN(C3CCCC3)C2)ccc1C#N ZINC000363925032 156053331 /nfs/dbraw/zinc/05/33/31/156053331.db2.gz PHUSSONDNNPYTQ-AWEZNQCLSA-N 0 3 298.390 2.008 20 30 CEEDHN COc1ccc(CN2CC[C@H]3OCC[C@H]3C2)cc1C#N ZINC000368474606 156349152 /nfs/dbraw/zinc/34/91/52/156349152.db2.gz OXSDKCQMFPKZIU-XJKSGUPXSA-N 0 3 272.348 2.178 20 30 CEEDHN COC(=O)[C@]12CCC[C@@H]1CN(Cc1ccc(C#N)s1)C2 ZINC000374683760 157003911 /nfs/dbraw/zinc/00/39/11/157003911.db2.gz SLWMUJBDVKQFGI-ABAIWWIYSA-N 0 3 290.388 2.395 20 30 CEEDHN C[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)N1CCCC1 ZINC000548073583 298391490 /nfs/dbraw/zinc/39/14/90/298391490.db2.gz SCUXMOXEMCHPPL-CQSZACIVSA-N 0 3 297.402 2.190 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC2(CNC(=O)C2)CC1 ZINC000267630122 287130643 /nfs/dbraw/zinc/13/06/43/287130643.db2.gz GNXOEWUIAPGUQT-ZDUSSCGKSA-N 0 3 283.375 2.221 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](C)c1ccccc1 ZINC000007016095 170262357 /nfs/dbraw/zinc/26/23/57/170262357.db2.gz BFKBBKXLVXEGOB-XJKSGUPXSA-N 0 3 273.380 2.392 20 30 CEEDHN CN1CC=C(CNC(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000285721271 196377895 /nfs/dbraw/zinc/37/78/95/196377895.db2.gz FPZYJLMLRHHXRA-UHFFFAOYSA-N 0 3 289.766 2.203 20 30 CEEDHN CC(C)COC[C@H](O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000037502428 173239155 /nfs/dbraw/zinc/23/91/55/173239155.db2.gz RZJNHGSQJAXUJK-CZUORRHYSA-N 0 3 276.380 2.242 20 30 CEEDHN C=CCOCCNCc1ccc(O[C@H]2CCOC2)cc1 ZINC000657431183 414931446 /nfs/dbraw/zinc/93/14/46/414931446.db2.gz YEJYPHXYCAXUAV-INIZCTEOSA-N 0 3 277.364 2.147 20 30 CEEDHN C=CCCn1cc(CNCC2(CC)CCOCC2)nn1 ZINC000657384952 414903182 /nfs/dbraw/zinc/90/31/82/414903182.db2.gz WRKRRAJIFPCGEQ-UHFFFAOYSA-N 0 3 278.400 2.151 20 30 CEEDHN C=CCCn1cc(CNC[C@H](C)CC(F)F)nn1 ZINC000657498057 414975274 /nfs/dbraw/zinc/97/52/74/414975274.db2.gz LTCVXYFOURXXIT-SNVBAGLBSA-N 0 3 258.316 2.235 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000660855619 415011747 /nfs/dbraw/zinc/01/17/47/415011747.db2.gz RRESQDNJLAGAKP-ZIAGYGMSSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCCn1cc(CNCCCC(C)(F)F)nn1 ZINC000657477631 414959738 /nfs/dbraw/zinc/95/97/38/414959738.db2.gz YABHBUTVNMRSSQ-UHFFFAOYSA-N 0 3 258.316 2.379 20 30 CEEDHN C=CCCn1cc(CNC[C@H]2CCOC3(CCC3)C2)nn1 ZINC000657478827 414960438 /nfs/dbraw/zinc/96/04/38/414960438.db2.gz GBFMKXGVLIBVTO-AWEZNQCLSA-N 0 3 290.411 2.293 20 30 CEEDHN C=CCCCCNC(=O)N[C@H]1CCN(CCC)C1 ZINC000661033312 415071448 /nfs/dbraw/zinc/07/14/48/415071448.db2.gz GIGHHGTWAOCLFC-ZDUSSCGKSA-N 0 3 253.390 2.126 20 30 CEEDHN C=CCC1(NCc2cn(C(C)(C)C)nn2)CCOCC1 ZINC000657632904 415030869 /nfs/dbraw/zinc/03/08/69/415030869.db2.gz BOLXUBUHRIAJNS-UHFFFAOYSA-N 0 3 278.400 2.248 20 30 CEEDHN C=CCOCCCNCc1cn(C)nc1C(C)(C)C ZINC000657658114 415038261 /nfs/dbraw/zinc/03/82/61/415038261.db2.gz NIQJEUSLWKCYDT-UHFFFAOYSA-N 0 3 265.401 2.400 20 30 CEEDHN C=CCN(C[C@H](O)Cc1ccc(F)cc1)[C@H](C)COC ZINC000661239530 415150920 /nfs/dbraw/zinc/15/09/20/415150920.db2.gz HRVBMXFSWLPXGI-CZUORRHYSA-N 0 3 281.371 2.252 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000655090706 415099516 /nfs/dbraw/zinc/09/95/16/415099516.db2.gz BEANZRLJBAEOOQ-HZSPNIEDSA-N 0 3 250.386 2.284 20 30 CEEDHN C=C(C)CCNC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000661263823 415167746 /nfs/dbraw/zinc/16/77/46/415167746.db2.gz MOCMGTOZHJFGGN-CQSZACIVSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCn1cc(CN[C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)nn1 ZINC000658036658 415170457 /nfs/dbraw/zinc/17/04/57/415170457.db2.gz ACAOSJBUNDRQTR-HZSPNIEDSA-N 0 3 260.385 2.378 20 30 CEEDHN C=C[C@H](CC(=O)N[C@@H](CN)C(F)(F)F)c1ccccc1 ZINC000655519473 415322949 /nfs/dbraw/zinc/32/29/49/415322949.db2.gz VEADXWUKAJKOIN-PWSUYJOCSA-N 0 3 286.297 2.352 20 30 CEEDHN C=CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000661572767 415336592 /nfs/dbraw/zinc/33/65/92/415336592.db2.gz ZRECCNVEEMVGPX-OAHLLOKOSA-N 0 3 273.380 2.136 20 30 CEEDHN N#CC(C(=O)c1ccc2c(c1)CCOC2)c1ccncn1 ZINC000659115251 415398834 /nfs/dbraw/zinc/39/88/34/415398834.db2.gz UVYQNPUVHIDPQH-CQSZACIVSA-N 0 3 279.299 2.039 20 30 CEEDHN C=CC(C)(C)CNC(=O)N[C@H](CC)CN1CCCC1 ZINC000655680434 415381824 /nfs/dbraw/zinc/38/18/24/415381824.db2.gz LXPKNQMVAORKTF-CYBMUJFWSA-N 0 3 267.417 2.372 20 30 CEEDHN C=CCN(C(=O)NC[C@@H]1CCCN1CCC)[C@H](C)COC ZINC000664888677 415510929 /nfs/dbraw/zinc/51/09/29/415510929.db2.gz IMVDUIQIIWPXCT-CABCVRRESA-N 0 3 297.443 2.093 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)CNC[C@H]1CCCO1 ZINC000659329977 415520696 /nfs/dbraw/zinc/52/06/96/415520696.db2.gz TZLIOICSFAMJRA-RBSFLKMASA-N 0 3 280.412 2.006 20 30 CEEDHN C=C(C)[C@H](CO)N(CC)CCOc1ccccc1OC ZINC000662203381 415683494 /nfs/dbraw/zinc/68/34/94/415683494.db2.gz DFDMWIRVXGEOCJ-AWEZNQCLSA-N 0 3 279.380 2.333 20 30 CEEDHN CC(=O)c1nc(CCN(C)Cc2ccc(C#N)cc2)[nH]c1C ZINC000659821785 415708111 /nfs/dbraw/zinc/70/81/11/415708111.db2.gz FWOBWQUUZYUPGF-UHFFFAOYSA-N 0 3 296.374 2.467 20 30 CEEDHN CC(=O)c1[nH]c(CCN(C)Cc2ccc(C#N)cc2)nc1C ZINC000659821785 415708117 /nfs/dbraw/zinc/70/81/17/415708117.db2.gz FWOBWQUUZYUPGF-UHFFFAOYSA-N 0 3 296.374 2.467 20 30 CEEDHN C=C(C)CN(CC)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000659829002 415711831 /nfs/dbraw/zinc/71/18/31/415711831.db2.gz JFADHRCRBADTAA-HZSPNIEDSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCN(CCc1ccccc1)C[C@@H](COC)OC ZINC000659856210 415736854 /nfs/dbraw/zinc/73/68/54/415736854.db2.gz ABOWMJGCOUGBPO-INIZCTEOSA-N 0 3 263.381 2.379 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@H](OC)[C@H]1CCOC1 ZINC000660223600 415930515 /nfs/dbraw/zinc/93/05/15/415930515.db2.gz DXAPWXXFGSBHDH-HOCLYGCPSA-N 0 3 279.380 2.362 20 30 CEEDHN C=CCCCN(C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000076733775 177074950 /nfs/dbraw/zinc/07/49/50/177074950.db2.gz TXDXYAADHQQBPO-GJZGRUSLSA-N 0 3 280.412 2.054 20 30 CEEDHN N#CC(C(=O)c1cccc2c1OCO2)c1ccccn1 ZINC000077432538 177268920 /nfs/dbraw/zinc/26/89/20/177268920.db2.gz RZQOVMKPDVBJFC-NSHDSACASA-N 0 3 266.256 2.300 20 30 CEEDHN Cc1nc(C)c([C@@H](C)N(C)C(=O)C(C)C#N)s1 ZINC000334760901 225311185 /nfs/dbraw/zinc/31/11/85/225311185.db2.gz WDAYBLYZSVXBNF-VXNVDRBHSA-N 0 3 251.355 2.439 20 30 CEEDHN COc1ccc2c(c1)C1(CC1)CN(C(=O)C(C)C#N)C2 ZINC000334945155 225370228 /nfs/dbraw/zinc/37/02/28/225370228.db2.gz MQHMGNOTVOGTHW-LLVKDONJSA-N 0 3 270.332 2.229 20 30 CEEDHN CC(C)[C@@H]1CCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566855813 299026811 /nfs/dbraw/zinc/02/68/11/299026811.db2.gz DGEDVBABPAQJSC-CYBMUJFWSA-N 0 3 269.352 2.079 20 30 CEEDHN CC(C#N)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000347138500 226056989 /nfs/dbraw/zinc/05/69/89/226056989.db2.gz RBNNQNNFXADURN-LBPRGKRZSA-N 0 3 283.331 2.088 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2ccco2)cc1 ZINC000348009374 226395375 /nfs/dbraw/zinc/39/53/75/226395375.db2.gz ZBTOFMACCJLSDO-HNNXBMFYSA-N 0 3 293.326 2.192 20 30 CEEDHN Cc1cc(C)n(-c2ccccc2CNC(=O)C(C)C#N)n1 ZINC000350731522 227067667 /nfs/dbraw/zinc/06/76/67/227067667.db2.gz BBPJYBVVYWRPQQ-NSHDSACASA-N 0 3 282.347 2.265 20 30 CEEDHN CC(C#N)C(=O)N1CCN([C@H](C)c2ccsc2)CC1 ZINC000336561381 227119410 /nfs/dbraw/zinc/11/94/10/227119410.db2.gz ISIZEWZUYVMBRT-NWDGAFQWSA-N 0 3 277.393 2.113 20 30 CEEDHN CC(C#N)C(=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000336580641 227137676 /nfs/dbraw/zinc/13/76/76/227137676.db2.gz IFOLMLLFYHDVKT-NSHDSACASA-N 0 3 256.305 2.168 20 30 CEEDHN O=C(NCC1CC1)[C@@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC000330134577 228046772 /nfs/dbraw/zinc/04/67/72/228046772.db2.gz RZCVEOPRURODJV-CHWSQXEVSA-N 0 3 279.384 2.184 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000335931152 228166912 /nfs/dbraw/zinc/16/69/12/228166912.db2.gz KODAYVVZRHMBML-CHWSQXEVSA-N 0 3 282.347 2.187 20 30 CEEDHN N#CCC1CCN(Cc2cccc3nccn32)CC1 ZINC000335981504 228174851 /nfs/dbraw/zinc/17/48/51/228174851.db2.gz UKNKFGNGQVHBFX-UHFFFAOYSA-N 0 3 254.337 2.460 20 30 CEEDHN Cc1nn2c(CN[C@@H]3CC[C@H](C#N)C3)c(C)nc2s1 ZINC000333566673 228205044 /nfs/dbraw/zinc/20/50/44/228205044.db2.gz LULDAXVNZSPQDQ-WDEREUQCSA-N 0 3 275.381 2.190 20 30 CEEDHN C=CCCC(C)(C)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000666184120 419568962 /nfs/dbraw/zinc/56/89/62/419568962.db2.gz WOTBQNKVUQEYBN-UHFFFAOYSA-N 0 3 293.415 2.311 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cccc(CN)c1 ZINC000667735331 419786651 /nfs/dbraw/zinc/78/66/51/419786651.db2.gz QNRJOKKWLULTNI-UKRRQHHQSA-N 0 3 289.379 2.248 20 30 CEEDHN COc1cc(C#N)ccc1OCCN(C)CC(C)(C)OC ZINC000532340267 269766852 /nfs/dbraw/zinc/76/68/52/269766852.db2.gz IFNQOHBRUMPENN-UHFFFAOYSA-N 0 3 292.379 2.302 20 30 CEEDHN Cc1noc([C@@H]2CCCN([C@H]3CC[C@@H](C#N)C3)C2)n1 ZINC000407991173 260154574 /nfs/dbraw/zinc/15/45/74/260154574.db2.gz STEPVXFGIDXKRL-UPJWGTAASA-N 0 3 260.341 2.250 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNCc1ccc(C#N)o1 ZINC000447896987 260155880 /nfs/dbraw/zinc/15/58/80/260155880.db2.gz KSPGDEIZPTWJQI-AWEZNQCLSA-N 0 3 261.369 2.361 20 30 CEEDHN C=CCC[C@@H](NCC(=O)NCCCOC)c1ccccc1 ZINC000298837979 260163605 /nfs/dbraw/zinc/16/36/05/260163605.db2.gz HTAXFTKRLVVZJN-MRXNPFEDSA-N 0 3 290.407 2.436 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCCNc2ccc3ccccc3n2)C1 ZINC000518298154 260370143 /nfs/dbraw/zinc/37/01/43/260370143.db2.gz MEHKFPSHRSYMPY-DZGCQCFKSA-N 0 3 280.375 2.350 20 30 CEEDHN CC[C@H](C)[C@@H](CNCc1cnc2ccc(C#N)cn12)OC ZINC000449403642 260517726 /nfs/dbraw/zinc/51/77/26/260517726.db2.gz XGBPRBRAMZTWBU-SWLSCSKDSA-N 0 3 286.379 2.357 20 30 CEEDHN CN1CCC(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000153396022 261077823 /nfs/dbraw/zinc/07/78/23/261077823.db2.gz BECMSRUCQIYMBU-MRXNPFEDSA-N 0 3 285.391 2.489 20 30 CEEDHN Cc1cc(CN2CCSCC2)ccc1NC(=O)CC#N ZINC000153708903 261081757 /nfs/dbraw/zinc/08/17/57/261081757.db2.gz YNCUELCXIWEGAW-UHFFFAOYSA-N 0 3 289.404 2.396 20 30 CEEDHN C=C(C)CN(CC)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360746058 261098760 /nfs/dbraw/zinc/09/87/60/261098760.db2.gz NZPDXPKFYLIIFS-CQSZACIVSA-N 0 3 285.457 2.031 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2sc(CC)nc2C)CC1 ZINC000491041296 261305191 /nfs/dbraw/zinc/30/51/91/261305191.db2.gz YKBXDWFNHFLQET-UHFFFAOYSA-N 0 3 291.420 2.298 20 30 CEEDHN C[C@@H](O)CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000450995913 269846870 /nfs/dbraw/zinc/84/68/70/269846870.db2.gz TWRJFKRMWXSKTH-GFCCVEGCSA-N 0 3 292.354 2.311 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C)C2(CCC2)C1 ZINC000526058219 262028116 /nfs/dbraw/zinc/02/81/16/262028116.db2.gz TWUBXHNCHLJSSZ-ZIAGYGMSSA-N 0 3 289.423 2.449 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(Cn3cncn3)cc2)C1 ZINC000185771540 262069704 /nfs/dbraw/zinc/06/97/04/262069704.db2.gz FGQZKZNNBWLRMX-SJORKVTESA-N 0 3 295.390 2.498 20 30 CEEDHN CC[C@H](CC#N)N[C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000310114515 262094607 /nfs/dbraw/zinc/09/46/07/262094607.db2.gz BUVVRWQOXHCFAC-BBBLOLIVSA-N 0 3 250.264 2.378 20 30 CEEDHN CC[C@H](CC#N)N[C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000310114518 262094966 /nfs/dbraw/zinc/09/49/66/262094966.db2.gz BUVVRWQOXHCFAC-UTLUCORTSA-N 0 3 250.264 2.378 20 30 CEEDHN CC#CCCN1CCC(C(=O)Nc2ncccc2C)CC1 ZINC000364024400 262105447 /nfs/dbraw/zinc/10/54/47/262105447.db2.gz YREYNJBPDJFPJI-UHFFFAOYSA-N 0 3 285.391 2.454 20 30 CEEDHN CC(C)COC(=O)N1CCC(NCC2(C#N)CC2)CC1 ZINC000497268082 262130673 /nfs/dbraw/zinc/13/06/73/262130673.db2.gz YVBNJUABINEYNC-UHFFFAOYSA-N 0 3 279.384 2.137 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)Nc1cccc2c1CNCC2 ZINC000367655090 262181151 /nfs/dbraw/zinc/18/11/51/262181151.db2.gz XTSFYSHARUNRLY-LBPRGKRZSA-N 0 3 274.364 2.252 20 30 CEEDHN CCN(CCCN1CCC(C#N)CC1)CC(F)(F)F ZINC000354820147 262295855 /nfs/dbraw/zinc/29/58/55/262295855.db2.gz PQHMNKWECKSODR-UHFFFAOYSA-N 0 3 277.334 2.496 20 30 CEEDHN COCCO[C@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000336731184 262385280 /nfs/dbraw/zinc/38/52/80/262385280.db2.gz QVWVIVNMEXLPOQ-ZDUSSCGKSA-N 0 3 254.374 2.054 20 30 CEEDHN C=CCN(CCc1ccccc1)C[C@@](C)(O)C(C)=O ZINC000411197511 262683458 /nfs/dbraw/zinc/68/34/58/262683458.db2.gz VWORVQPUYORRKI-MRXNPFEDSA-N 0 3 261.365 2.057 20 30 CEEDHN N#CCCCNCc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000273102622 263012700 /nfs/dbraw/zinc/01/27/00/263012700.db2.gz VYPQSLASERJJAM-UHFFFAOYSA-N 0 3 298.346 2.241 20 30 CEEDHN C=CCCC[C@H](C)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452019006 263028353 /nfs/dbraw/zinc/02/83/53/263028353.db2.gz QVGAMLXWFBQZGV-KBPBESRZSA-N 0 3 267.417 2.467 20 30 CEEDHN C[C@@H](CCC#N)N(C)C[C@@H](O)COCc1ccccc1 ZINC000276265957 263035324 /nfs/dbraw/zinc/03/53/24/263035324.db2.gz BWMBIIMZBZSDNB-GOEBONIOSA-N 0 3 276.380 2.188 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000452127898 263038778 /nfs/dbraw/zinc/03/87/78/263038778.db2.gz UHBQCEILGZHUMK-MELADBBJSA-N 0 3 264.413 2.387 20 30 CEEDHN CCOCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279391265 263055034 /nfs/dbraw/zinc/05/50/34/263055034.db2.gz UJEQORGBEJAEKM-MRXNPFEDSA-N 0 3 299.374 2.173 20 30 CEEDHN CC1(C)C[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279412023 263055214 /nfs/dbraw/zinc/05/52/14/263055214.db2.gz CAQQFFLGFFKSBE-ZIAGYGMSSA-N 0 3 267.332 2.155 20 30 CEEDHN CN(CCC(C)(C)C#N)[C@H](CC(N)=O)c1ccccc1 ZINC000280264354 263059974 /nfs/dbraw/zinc/05/99/74/263059974.db2.gz CHXVZPLCEQFOJC-CQSZACIVSA-N 0 3 273.380 2.475 20 30 CEEDHN CS[C@H](C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280277823 263060179 /nfs/dbraw/zinc/06/01/79/263060179.db2.gz YQIYUMLGKKKDSP-RISCZKNCSA-N 0 3 287.388 2.108 20 30 CEEDHN CC1(C)[C@@H]2CN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C[C@@H]21 ZINC000280298750 263060304 /nfs/dbraw/zinc/06/03/04/263060304.db2.gz FNWTWWSXQZJOBS-OAGGEKHMSA-N 0 3 293.370 2.355 20 30 CEEDHN C[C@@H]1C[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280840196 263064636 /nfs/dbraw/zinc/06/46/36/263064636.db2.gz OZOCNAFUAIVWOX-UGFHNGPFSA-N 0 3 267.332 2.013 20 30 CEEDHN C#CCCN1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366600903 263069865 /nfs/dbraw/zinc/06/98/65/263069865.db2.gz PALRBOFQYBIGRB-ZIAGYGMSSA-N 0 3 278.396 2.341 20 30 CEEDHN N#CCCCCN1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340211340 263094531 /nfs/dbraw/zinc/09/45/31/263094531.db2.gz VQRPIYPODAQNBE-GHMZBOCLSA-N 0 3 264.291 2.458 20 30 CEEDHN CN(C)Cc1ccccc1CNC(=O)CCCC#N ZINC000290917934 263119182 /nfs/dbraw/zinc/11/91/82/263119182.db2.gz HFNBQOAUBDVDED-UHFFFAOYSA-N 0 3 259.353 2.058 20 30 CEEDHN CCN(C[C@@H](C)OC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000291178262 263120778 /nfs/dbraw/zinc/12/07/78/263120778.db2.gz FHQKPICXFKSLGH-CZUORRHYSA-N 0 3 299.374 2.124 20 30 CEEDHN CN(CCOCCC#N)CCOc1ccccc1F ZINC000293495348 263141847 /nfs/dbraw/zinc/14/18/47/263141847.db2.gz NHPGVXYJJLOHAB-UHFFFAOYSA-N 0 3 266.316 2.067 20 30 CEEDHN CN(CCOCCC#N)CCOc1ccc(F)cc1 ZINC000293669343 263146270 /nfs/dbraw/zinc/14/62/70/263146270.db2.gz ZIKWGYJEYZBURD-UHFFFAOYSA-N 0 3 266.316 2.067 20 30 CEEDHN CCOc1ccc([C@@H](COC)NCCOCCC#N)cc1 ZINC000293678008 263146666 /nfs/dbraw/zinc/14/66/66/263146666.db2.gz AGFSKHWXGPRIEU-MRXNPFEDSA-N 0 3 292.379 2.293 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCCS2)CC1 ZINC000341059446 263320082 /nfs/dbraw/zinc/32/00/82/263320082.db2.gz ZKFWZNJVRWGJLG-CQSZACIVSA-N 0 3 282.453 2.429 20 30 CEEDHN C=CCC[C@H](O)CN[C@H](CC(=O)N(C)C)c1ccccc1 ZINC000341446590 263335749 /nfs/dbraw/zinc/33/57/49/263335749.db2.gz ANXGNVMYXTZQJG-JKSUJKDBSA-N 0 3 290.407 2.123 20 30 CEEDHN C=CC[C@H](CO)CN[C@H](C)c1nc2ccccc2n1C ZINC000341891097 263364276 /nfs/dbraw/zinc/36/42/76/263364276.db2.gz UZYQHFWUVGVBDN-OLZOCXBDSA-N 0 3 273.380 2.409 20 30 CEEDHN COCCSCCCN1CCC(C#N)(COC)CC1 ZINC000341992301 263382146 /nfs/dbraw/zinc/38/21/46/263382146.db2.gz PNBAPCHFMNSXCO-UHFFFAOYSA-N 0 3 286.441 2.008 20 30 CEEDHN N#CCSCCCN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000342102410 263387596 /nfs/dbraw/zinc/38/75/96/263387596.db2.gz UKUAAVJTHLSKJG-VHSXEESVSA-N 0 3 282.331 2.021 20 30 CEEDHN CC(C#N)C(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000334244963 263515358 /nfs/dbraw/zinc/51/53/58/263515358.db2.gz RKWZMUOKAJLDEL-CHWSQXEVSA-N 0 3 289.354 2.191 20 30 CEEDHN C[C@@](O)(CC(=O)NC1CCN(C2CC2)CC1)C1CC1 ZINC000328883809 263887661 /nfs/dbraw/zinc/88/76/61/263887661.db2.gz YDSZQOVVMWCMPK-OAHLLOKOSA-N 0 3 266.385 2.121 20 30 CEEDHN CC[C@H](C(=O)NC1(C#N)CCCC1)N(CC)CC ZINC000330480114 263947633 /nfs/dbraw/zinc/94/76/33/263947633.db2.gz MWKUCVICIYVHNP-GFCCVEGCSA-N 0 3 251.374 2.059 20 30 CEEDHN C[C@H](CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[NH+](C)C ZINC000331237379 264175417 /nfs/dbraw/zinc/17/54/17/264175417.db2.gz MVFLCVSIIUDMRL-SNVBAGLBSA-N 0 3 292.379 2.360 20 30 CEEDHN C[C@@H]1[C@H](O)CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000331356028 264208035 /nfs/dbraw/zinc/20/80/35/264208035.db2.gz RKDGNGPSSCBINL-FVQBIDKESA-N 0 3 286.375 2.131 20 30 CEEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)CCOCC1 ZINC000424863214 264238740 /nfs/dbraw/zinc/23/87/40/264238740.db2.gz IHNQJBQUOUFOLQ-OAHLLOKOSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCc1cc(CN2CC[C@@](C)(O)C2)cc(OC)c1O ZINC000180189091 264393008 /nfs/dbraw/zinc/39/30/08/264393008.db2.gz APLDFZLSLCAHJI-MRXNPFEDSA-N 0 3 277.364 2.086 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1cccc2ccccc21 ZINC000294046445 265005545 /nfs/dbraw/zinc/00/55/45/265005545.db2.gz SZZMIFAKVQDDBR-UHFFFAOYSA-N 0 3 294.398 2.454 20 30 CEEDHN CC#CCNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000367169578 266043981 /nfs/dbraw/zinc/04/39/81/266043981.db2.gz AWTDHAMKGOHKEM-JSGCOSHPSA-N 0 3 291.420 2.063 20 30 CEEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)C(C)C#N ZINC000356749356 266168505 /nfs/dbraw/zinc/16/85/05/266168505.db2.gz OUONTUGVIMXWOW-KWBADKCTSA-N 0 3 264.300 2.178 20 30 CEEDHN CCC1(CC)[C@H](NC(=O)C(C)C#N)[C@@H](C)[C@H]1OC ZINC000356854391 266191707 /nfs/dbraw/zinc/19/17/07/266191707.db2.gz PERSIKJPSKHSOA-DDHJBXDOSA-N 0 3 252.358 2.102 20 30 CEEDHN C[C@H]1c2ccccc2CN1CCC(=O)N(C)CCC#N ZINC000357010309 266232077 /nfs/dbraw/zinc/23/20/77/266232077.db2.gz WZNLLKPTDOLCKU-ZDUSSCGKSA-N 0 3 271.364 2.325 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)C(C)C#N ZINC000357802572 266368310 /nfs/dbraw/zinc/36/83/10/266368310.db2.gz KQTVZTFBKQZTDV-GFCCVEGCSA-N 0 3 258.321 2.369 20 30 CEEDHN CC(C#N)C(=O)NCCCn1ccc2ccccc21 ZINC000357836019 266374587 /nfs/dbraw/zinc/37/45/87/266374587.db2.gz UEBJURNOSMZDBH-GFCCVEGCSA-N 0 3 255.321 2.307 20 30 CEEDHN N#CCc1ccc(CN2CC[C@H](n3cccn3)C2)cc1 ZINC000361597363 266855491 /nfs/dbraw/zinc/85/54/91/266855491.db2.gz YFWYHYJZQSBRGM-INIZCTEOSA-N 0 3 266.348 2.396 20 30 CEEDHN C=CCc1cc(CN2C[C@H](C)[C@H](CO)C2)cc(OC)c1O ZINC000361660699 266867734 /nfs/dbraw/zinc/86/77/34/266867734.db2.gz LGNGQRPANJZNLZ-WFASDCNBSA-N 0 3 291.391 2.190 20 30 CEEDHN CC(C)[C@@H](CO)[C@@H](NCc1nc(C#N)cs1)C(C)C ZINC000449512733 266937907 /nfs/dbraw/zinc/93/79/07/266937907.db2.gz QBQBGLVQMKYGMV-OCCSQVGLSA-N 0 3 281.425 2.393 20 30 CEEDHN N#CCSCCCN1CCOCC12CCCC2 ZINC000362684497 267036044 /nfs/dbraw/zinc/03/60/44/267036044.db2.gz ASTAFAFBNFEQFQ-UHFFFAOYSA-N 0 3 254.399 2.278 20 30 CEEDHN CCN(C)C(=O)[C@@H](NCc1ccc(C#N)c(F)c1)C(C)C ZINC000451314548 267050719 /nfs/dbraw/zinc/05/07/19/267050719.db2.gz PELVRFLZEGZATK-HNNXBMFYSA-N 0 3 291.370 2.290 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000362898439 267058361 /nfs/dbraw/zinc/05/83/61/267058361.db2.gz IINFUOONEDVDRM-PBHICJAKSA-N 0 3 299.418 2.027 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N1CCN2CCC1CC2 ZINC000367409854 267088435 /nfs/dbraw/zinc/08/84/35/267088435.db2.gz JTEJYTLENARJBF-CYBMUJFWSA-N 0 3 265.401 2.221 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC[C@H](C)C2(CCC2)C1 ZINC000367479279 267093757 /nfs/dbraw/zinc/09/37/57/267093757.db2.gz ULRPYBHEVXSAMR-AWEZNQCLSA-N 0 3 277.412 2.261 20 30 CEEDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCCC#N)C[C@H]2C1 ZINC000367978293 267132058 /nfs/dbraw/zinc/13/20/58/267132058.db2.gz UUHNNIJEKYDIJQ-KBPBESRZSA-N 0 3 293.411 2.479 20 30 CEEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)o1 ZINC000449514343 267132127 /nfs/dbraw/zinc/13/21/27/267132127.db2.gz VXDRUYMRMIUHBT-KGLIPLIRSA-N 0 3 276.336 2.363 20 30 CEEDHN CC#CCN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000367976564 267132206 /nfs/dbraw/zinc/13/22/06/267132206.db2.gz LLUPNNJICGRWBV-KBPBESRZSA-N 0 3 278.396 2.199 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000368137915 267147823 /nfs/dbraw/zinc/14/78/23/267147823.db2.gz DIZQZSNGPKPMKZ-ZBFHGGJFSA-N 0 3 279.428 2.468 20 30 CEEDHN CC[C@H](NCc1ccc(C#N)c(C)c1)[C@@H](O)C(F)F ZINC000449424433 267221450 /nfs/dbraw/zinc/22/14/50/267221450.db2.gz PVMDEVKLVCUMSQ-QWHCGFSZSA-N 0 3 268.307 2.361 20 30 CEEDHN CC[C@H]1CN(CC)CCN1Cc1ccccc1C#N ZINC000449566753 267229941 /nfs/dbraw/zinc/22/99/41/267229941.db2.gz REHSKPJVEMZZEJ-INIZCTEOSA-N 0 3 257.381 2.474 20 30 CEEDHN CCCN1CCCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000369334203 267236719 /nfs/dbraw/zinc/23/67/19/267236719.db2.gz DHGIBNDUWFLADQ-UHFFFAOYSA-N 0 3 285.391 2.311 20 30 CEEDHN C=CCCCN1CCCN(C(=O)c2ccoc2)CC1 ZINC000369412493 267240532 /nfs/dbraw/zinc/24/05/32/267240532.db2.gz RUOHPWOYTOBAFC-UHFFFAOYSA-N 0 3 262.353 2.394 20 30 CEEDHN C#CCCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000369857367 267272104 /nfs/dbraw/zinc/27/21/04/267272104.db2.gz GRAVWQUKHYCIPA-IRXDYDNUSA-N 0 3 299.418 2.317 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)c1cc(C#N)ccc1Cl ZINC000457253260 267278657 /nfs/dbraw/zinc/27/86/57/267278657.db2.gz WQYWDZZHHOSPMB-UHFFFAOYSA-N 0 3 279.771 2.282 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)Nc1ccc(C#N)cc1 ZINC000454171324 267279189 /nfs/dbraw/zinc/27/91/89/267279189.db2.gz NEDVBCINKOAGEA-UHFFFAOYSA-N 0 3 260.341 2.020 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)/C=C\c1cccc(C#N)c1 ZINC000493843033 267279722 /nfs/dbraw/zinc/27/97/22/267279722.db2.gz IXLCTYQMBJQRDL-HJWRWDBZSA-N 0 3 271.364 2.028 20 30 CEEDHN C#CCOc1ccccc1CN1CCOC[C@H](C)C1 ZINC000370053283 267287191 /nfs/dbraw/zinc/28/71/91/267287191.db2.gz NEBCRRNXAFDDSK-CQSZACIVSA-N 0 3 259.349 2.167 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@H]1CCCC12CCOCC2 ZINC000370590400 267329615 /nfs/dbraw/zinc/32/96/15/267329615.db2.gz WAPAVVKKKYAYLE-KGLIPLIRSA-N 0 3 261.369 2.369 20 30 CEEDHN CN1CCC2(CCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000447085889 267334627 /nfs/dbraw/zinc/33/46/27/267334627.db2.gz KWIGYRNAHQUPJC-UHFFFAOYSA-N 0 3 283.375 2.003 20 30 CEEDHN CN1CC[C@H]2[C@@H](CCCN2c2ncc3c(c2C#N)CCC3)C1 ZINC000425242916 267341347 /nfs/dbraw/zinc/34/13/47/267341347.db2.gz SHOARUYIULWYTB-YOEHRIQHSA-N 0 3 296.418 2.362 20 30 CEEDHN COC(=O)CC1(NCc2ccc(C#N)c(F)c2)CCC1 ZINC000459391888 267359044 /nfs/dbraw/zinc/35/90/44/267359044.db2.gz SAMVRABVHANVSA-UHFFFAOYSA-N 0 3 276.311 2.273 20 30 CEEDHN COC(=O)CC1(NCc2cc(C#N)ccc2OC)CCC1 ZINC000459384701 267360344 /nfs/dbraw/zinc/36/03/44/267360344.db2.gz DUBCMIIKLIJVRU-UHFFFAOYSA-N 0 3 288.347 2.142 20 30 CEEDHN N#CC1(CN[C@H]2CCO[C@@H](C(F)(F)F)C2)CCC1 ZINC000418141471 267364125 /nfs/dbraw/zinc/36/41/25/267364125.db2.gz LBRNUDNQGULTJR-VHSXEESVSA-N 0 3 262.275 2.380 20 30 CEEDHN C#CCCN1CCC(n2cc(Br)cn2)CC1 ZINC000371204981 267370144 /nfs/dbraw/zinc/37/01/44/267370144.db2.gz MGQPJQOAJMAECG-UHFFFAOYSA-N 0 3 282.185 2.306 20 30 CEEDHN Cc1noc(C2(C)CCN(CCCCC#N)CC2)n1 ZINC000371572010 267430063 /nfs/dbraw/zinc/43/00/63/267430063.db2.gz QMTGHPHGCWWQFC-UHFFFAOYSA-N 0 3 262.357 2.425 20 30 CEEDHN N#Cc1c(Cl)cccc1NC[C@H]1CCCN1CCCO ZINC000450592298 268158897 /nfs/dbraw/zinc/15/88/97/268158897.db2.gz HEHGDSDUMGAUPD-GFCCVEGCSA-N 0 3 293.798 2.470 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)o1 ZINC000449471161 268219334 /nfs/dbraw/zinc/21/93/34/268219334.db2.gz OKZQPNQYDMQEAL-RBSFLKMASA-N 0 3 260.337 2.277 20 30 CEEDHN N#Cc1ccc(CNCC[C@@H](O)C(F)(F)F)cc1F ZINC000421355192 268231651 /nfs/dbraw/zinc/23/16/51/268231651.db2.gz ISJBSOLSSGMFRP-LLVKDONJSA-N 0 3 276.233 2.100 20 30 CEEDHN N#Cc1ccc([C@@H](N[C@H]2CC3CCC2CC3)C(N)=O)cc1 ZINC000431077354 268262744 /nfs/dbraw/zinc/26/27/44/268262744.db2.gz NXPANUFTIPSIGZ-XNZZJLCSSA-N 0 3 283.375 2.253 20 30 CEEDHN C[C@H](NC[C@@H]1CCN(C)C(=O)C1)c1ccc(C#N)cc1F ZINC000424325702 271045338 /nfs/dbraw/zinc/04/53/38/271045338.db2.gz MRRKXBMZMNOGQW-WCQYABFASA-N 0 3 289.354 2.216 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000333382716 276157166 /nfs/dbraw/zinc/15/71/66/276157166.db2.gz BJEQKBHVHOGBGN-RHSMWYFYSA-N 0 3 289.423 2.451 20 30 CEEDHN CS[C@H]1CN(CC#Cc2ccccc2)C[C@@H]1N(C)C ZINC000277090329 278166470 /nfs/dbraw/zinc/16/64/70/278166470.db2.gz YVMDEYJXYQOQPV-HOTGVXAUSA-N 0 3 274.433 2.016 20 30 CEEDHN CC(C)NC(=O)CCN[C@H](C)c1ccc(C#N)cc1 ZINC000054048166 279565489 /nfs/dbraw/zinc/56/54/89/279565489.db2.gz CODFYGVSQBQBBX-GFCCVEGCSA-N 0 3 259.353 2.124 20 30 CEEDHN Cn1ccc(CNCCOc2ccc(C#N)cc2)c1 ZINC000126025250 279821200 /nfs/dbraw/zinc/82/12/00/279821200.db2.gz CKJCAVSSOJWVRW-UHFFFAOYSA-N 0 3 255.321 2.065 20 30 CEEDHN Cc1ccc(CNCCOc2ccc(C#N)cc2)nc1 ZINC000134366176 280019423 /nfs/dbraw/zinc/01/94/23/280019423.db2.gz WTKUPGPVENDBQF-UHFFFAOYSA-N 0 3 267.332 2.430 20 30 CEEDHN CC(C)(O)[C@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000136255892 280060181 /nfs/dbraw/zinc/06/01/81/280060181.db2.gz QIKCBIDQMMEIJU-CQSZACIVSA-N 0 3 262.328 2.433 20 30 CEEDHN CN(C)CCN(C(=O)c1c[nH]c(C#N)c1)C1CCCCC1 ZINC000272031364 289123872 /nfs/dbraw/zinc/12/38/72/289123872.db2.gz UJBZKRXVYITZCD-UHFFFAOYSA-N 0 3 288.395 2.223 20 30 CEEDHN CC(C)[C@@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)N(C)C ZINC000565206131 298886631 /nfs/dbraw/zinc/88/66/31/298886631.db2.gz VIHFJSKGCVUTTR-AWEZNQCLSA-N 0 3 295.333 2.039 20 30 CEEDHN C[C@H](NCC1([S@@](C)=O)CC1)c1ccc(OCC#N)cc1 ZINC000282518531 327683614 /nfs/dbraw/zinc/68/36/14/327683614.db2.gz ZLWMEWFORQKYDO-FKIZINRSSA-N 0 3 292.404 2.151 20 30 CEEDHN CC[C@H](NCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000182334172 312816084 /nfs/dbraw/zinc/81/60/84/312816084.db2.gz OQJAJHGRTSOHEO-LSDHHAIUSA-N 0 3 287.363 2.044 20 30 CEEDHN CN(C)C(=O)[C@@H](Cc1ccccc1)N[C@@H]1CCC[C@H](C#N)C1 ZINC000185815174 327846134 /nfs/dbraw/zinc/84/61/34/327846134.db2.gz XKABADNVRGXCNT-GVDBMIGSSA-N 0 3 299.418 2.358 20 30 CEEDHN CCN1CC[C@@H]2OCCN(Cc3ccc(CC#N)cc3)[C@H]2C1 ZINC000339392483 328009222 /nfs/dbraw/zinc/00/92/22/328009222.db2.gz HDUJJTOONHYQSQ-ROUUACIJSA-N 0 3 299.418 2.048 20 30 CEEDHN CC1CC(C#N)(C(=O)NCCN2[C@H](C)CCC[C@H]2C)C1 ZINC000531557103 328017472 /nfs/dbraw/zinc/01/74/72/328017472.db2.gz FYDQKPYWFQLLJE-MYMJJRTCSA-N 0 3 277.412 2.305 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000412316394 328108422 /nfs/dbraw/zinc/10/84/22/328108422.db2.gz MWEOSRQGAMSVDW-MRXNPFEDSA-N 0 3 277.412 2.261 20 30 CEEDHN CC[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)N(C)C ZINC000413462585 328146611 /nfs/dbraw/zinc/14/66/11/328146611.db2.gz XJRHSJOHXDRARY-STQMWFEESA-N 0 3 279.771 2.361 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CCC(F)(F)F)CC1 ZINC000173102240 329144948 /nfs/dbraw/zinc/14/49/48/329144948.db2.gz MWSNYRXMHISJRB-UHFFFAOYSA-N 0 3 278.318 2.486 20 30 CEEDHN CN(C)CCN(Cc1ccco1)C(=O)CC(C)(C)C#N ZINC000278677273 328229251 /nfs/dbraw/zinc/22/92/51/328229251.db2.gz BUHLMENRFPWMLS-UHFFFAOYSA-N 0 3 277.368 2.110 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2[C@@H]3CCC[C@H]23)CC1 ZINC000178212467 329194735 /nfs/dbraw/zinc/19/47/35/329194735.db2.gz CTJTVMIQKFJIRJ-YIONKMFJSA-N 0 3 262.397 2.189 20 30 CEEDHN N#CCCCN1CCC(CCCN2CCOCC2)CC1 ZINC000182967610 329246049 /nfs/dbraw/zinc/24/60/49/329246049.db2.gz VEJDBZRNXYPJRA-UHFFFAOYSA-N 0 3 279.428 2.115 20 30 CEEDHN C=CCOc1ccc(CN(C)CCN(C)C)cc1OC ZINC000289864579 328256619 /nfs/dbraw/zinc/25/66/19/328256619.db2.gz QVIGECZRTPYHKT-UHFFFAOYSA-N 0 3 278.396 2.253 20 30 CEEDHN C[S@](=O)C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000294526216 328281476 /nfs/dbraw/zinc/28/14/76/328281476.db2.gz JLOGUHDDWBUUMG-WGDDSDEBSA-N 0 3 276.405 2.388 20 30 CEEDHN C[C@@H](C#N)CN(C(=O)CCN(C)c1ccncc1)C1CC1 ZINC000541856547 328306772 /nfs/dbraw/zinc/30/67/72/328306772.db2.gz AEPGJWKTISHHJS-ZDUSSCGKSA-N 0 3 286.379 2.059 20 30 CEEDHN COC(=O)CC1(NCc2cc(C#N)n(C)c2)CCCCC1 ZINC000580986917 322359758 /nfs/dbraw/zinc/35/97/58/322359758.db2.gz AFRYMDCQAAQMTM-UHFFFAOYSA-N 0 3 289.379 2.252 20 30 CEEDHN CO[C@H]1C[C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C1(C)C ZINC000581014639 322362784 /nfs/dbraw/zinc/36/27/84/322362784.db2.gz NTLPULFIIDTNRN-KGLIPLIRSA-N 0 3 289.335 2.370 20 30 CEEDHN N#CCSCCCN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305130807 328392540 /nfs/dbraw/zinc/39/25/40/328392540.db2.gz JUQUWLXBLBIMQW-NSHDSACASA-N 0 3 296.358 2.268 20 30 CEEDHN C#C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C(C)(C)C ZINC000290147110 328529379 /nfs/dbraw/zinc/52/93/79/328529379.db2.gz KXQADYXKIAHPKO-CQSZACIVSA-N 0 3 261.321 2.258 20 30 CEEDHN C=CCCN1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000180979449 327203019 /nfs/dbraw/zinc/20/30/19/327203019.db2.gz RAEIFJLTJIESIP-UHFFFAOYSA-N 0 3 270.380 2.257 20 30 CEEDHN C[C@H](N[C@@H]1CSC[C@@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000560446573 327308927 /nfs/dbraw/zinc/30/89/27/327308927.db2.gz ZMDNHQXZMPPWBP-RWMBFGLXSA-N 0 3 295.452 2.059 20 30 CEEDHN C=CCCCCCNC(=O)NC[C@H]1CCCN(C)C1 ZINC000583449649 327372778 /nfs/dbraw/zinc/37/27/78/327372778.db2.gz RMPNCNXIUWZLJG-CQSZACIVSA-N 0 3 267.417 2.374 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)nc1 ZINC000562034664 327441388 /nfs/dbraw/zinc/44/13/88/327441388.db2.gz CCWVOAMPSUUYMX-RRFJBIMHSA-N 0 3 269.348 2.000 20 30 CEEDHN N#C[C@H]1CC[C@H](NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000562525177 327487384 /nfs/dbraw/zinc/48/73/84/327487384.db2.gz IHWHYVOYENTEQQ-RYUDHWBXSA-N 0 3 275.308 2.255 20 30 CEEDHN C=CCCCCCNC(=O)N[C@H]1CNCCC1(F)F ZINC000570059332 327566699 /nfs/dbraw/zinc/56/66/99/327566699.db2.gz MJCOCGJVTKZHAU-NSHDSACASA-N 0 3 275.343 2.029 20 30 CEEDHN CC(C)(CNC(=O)NCCCCC#N)N1CCCCC1 ZINC000171729160 329079535 /nfs/dbraw/zinc/07/95/35/329079535.db2.gz QWMPHWKGKJNRCH-UHFFFAOYSA-N 0 3 280.416 2.244 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC2(CCCC2)C1 ZINC000173821975 329152587 /nfs/dbraw/zinc/15/25/87/329152587.db2.gz JAZAOPLAVNXIME-CQSZACIVSA-N 0 3 277.412 2.261 20 30 CEEDHN C=CCSCCNC(=O)[C@@H](C)N1CCCCCC1 ZINC000175763599 329171593 /nfs/dbraw/zinc/17/15/93/329171593.db2.gz FCIMOSCCEKQNCB-CYBMUJFWSA-N 0 3 270.442 2.286 20 30 CEEDHN C=CCOc1ccc(CN2CCNC[C@H]2C(F)F)cc1 ZINC000514672220 329189438 /nfs/dbraw/zinc/18/94/38/329189438.db2.gz GYKPZICPRIYGAY-AWEZNQCLSA-N 0 3 282.334 2.290 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H]1C[C@H](OCC)C1(CC)CC ZINC000178665714 329201803 /nfs/dbraw/zinc/20/18/03/329201803.db2.gz URYQXNOLLIOCCA-IHRRRGAJSA-N 0 3 282.428 2.251 20 30 CEEDHN CC(C)N(CC(=O)NC1(C#N)CCCCC1)C(C)C ZINC000180449787 329217409 /nfs/dbraw/zinc/21/74/09/329217409.db2.gz IPYXYIWWBYTLKM-UHFFFAOYSA-N 0 3 265.401 2.448 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000181099311 329226218 /nfs/dbraw/zinc/22/62/18/329226218.db2.gz DYJOPOBQLYIHRV-HUUCEWRRSA-N 0 3 277.412 2.387 20 30 CEEDHN C=C(C)CN(C)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000183199912 329245451 /nfs/dbraw/zinc/24/54/51/329245451.db2.gz SCYDDDFJEGPOLT-UHFFFAOYSA-N 0 3 297.443 2.093 20 30 CEEDHN C=CC[C@H](CO)NCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000184280402 329258666 /nfs/dbraw/zinc/25/86/66/329258666.db2.gz KEZLPQXJJWRPSI-BXUZGUMPSA-N 0 3 277.364 2.045 20 30 CEEDHN CC#CCCN1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000184467068 329260480 /nfs/dbraw/zinc/26/04/80/329260480.db2.gz LVOUEKBBCQULQM-AWEZNQCLSA-N 0 3 251.370 2.454 20 30 CEEDHN CC#CCCCC(=O)N(CCN(C)C)CC(C)C ZINC000185123331 329268543 /nfs/dbraw/zinc/26/85/43/329268543.db2.gz FLSFZPFXVAYGSM-UHFFFAOYSA-N 0 3 252.402 2.226 20 30 CEEDHN CC[C@@H]1[C@H](C)CCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000185676567 329328742 /nfs/dbraw/zinc/32/87/42/329328742.db2.gz YSBIXFBWRMEZAZ-BFHYXJOUSA-N 0 3 265.401 2.115 20 30 CEEDHN C=CCSCCN[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185962912 329337355 /nfs/dbraw/zinc/33/73/55/329337355.db2.gz UGVYDCFWUQHEES-ZDUSSCGKSA-N 0 3 298.839 2.245 20 30 CEEDHN C=CCCCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000583183689 329348499 /nfs/dbraw/zinc/34/84/99/329348499.db2.gz CUQKEGWXYOINOU-AWEZNQCLSA-N 0 3 265.401 2.222 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000189494251 329381611 /nfs/dbraw/zinc/38/16/11/329381611.db2.gz YVSDQIUEKQFYIL-HLLBOEOZSA-N 0 3 294.439 2.158 20 30 CEEDHN C=CC1CCN(C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418446266 329531723 /nfs/dbraw/zinc/53/17/23/329531723.db2.gz HWYHRDNIXPTMOQ-OAHLLOKOSA-N 0 3 273.380 2.294 20 30 CEEDHN C=CCCCN(C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418590940 329534355 /nfs/dbraw/zinc/53/43/55/329534355.db2.gz UJNBXRJRFMTSMJ-UHFFFAOYSA-N 0 3 273.380 2.397 20 30 CEEDHN C=C[C@H](C)NC(=O)NC[C@H](N)c1ccccc1CC ZINC000418644548 329537979 /nfs/dbraw/zinc/53/79/79/329537979.db2.gz CGZGFDLIORYMHC-FZMZJTMJSA-N 0 3 261.369 2.123 20 30 CEEDHN Cc1nc(CN2CCC(CNCCC#N)CC2)oc1C ZINC000572028965 329938668 /nfs/dbraw/zinc/93/86/68/329938668.db2.gz MCFVOAFMRWKNGK-UHFFFAOYSA-N 0 3 276.384 2.007 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)[C@@H]1C ZINC000421929797 330109817 /nfs/dbraw/zinc/10/98/17/330109817.db2.gz YBUHLXGYOXKYOH-WOPDTQHZSA-N 0 3 280.368 2.115 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000422032926 330117832 /nfs/dbraw/zinc/11/78/32/330117832.db2.gz GSRJUSDEXNPIOZ-IAGOWNOFSA-N 0 3 299.418 2.312 20 30 CEEDHN C=CCOc1cccc(NC(=O)[C@@H](N)C2CCC2)c1 ZINC000423082850 330168712 /nfs/dbraw/zinc/16/87/12/330168712.db2.gz XVJMJZOXTZYCJL-AWEZNQCLSA-N 0 3 260.337 2.317 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000424075600 330220769 /nfs/dbraw/zinc/22/07/69/330220769.db2.gz JVLCUWGLWAESDU-LLVKDONJSA-N 0 3 283.278 2.248 20 30 CEEDHN CCOc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1F ZINC000424098255 330229305 /nfs/dbraw/zinc/22/93/05/330229305.db2.gz GSUQPDBYNVEUHN-LBPRGKRZSA-N 0 3 279.315 2.184 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000424100749 330233131 /nfs/dbraw/zinc/23/31/31/330233131.db2.gz LGVIGMYVCYJJOZ-KBPBESRZSA-N 0 3 263.385 2.189 20 30 CEEDHN CC[C@H](Cc1ccccc1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424115321 330243155 /nfs/dbraw/zinc/24/31/55/330243155.db2.gz ADRJNUXYVLPLIK-HZPDHXFCSA-N 0 3 287.407 2.487 20 30 CEEDHN C[C@@H](C[S@@](C)=O)N(C)CCCCC(C)(C)C#N ZINC000399951871 330249082 /nfs/dbraw/zinc/24/90/82/330249082.db2.gz IKCHHSJFOXSEIY-YVEFUNNKSA-N 0 3 258.431 2.405 20 30 CEEDHN Cc1sc(CNC(=O)[C@@H](N)CCCC#N)nc1C(C)C ZINC000424121990 330253955 /nfs/dbraw/zinc/25/39/55/330253955.db2.gz GJEPSSMYYPOSNF-NSHDSACASA-N 0 3 294.424 2.212 20 30 CEEDHN CC[C@@H]1CCC[C@@H](NC(=O)[C@H](N)CCCC#N)C1 ZINC000424124697 330257478 /nfs/dbraw/zinc/25/74/78/330257478.db2.gz MPWFLROLYXUDRH-JHJVBQTASA-N 0 3 251.374 2.093 20 30 CEEDHN CC[C@@H]1CCCCCN1C(=O)[C@@H](N)CCCC#N ZINC000424126504 330259083 /nfs/dbraw/zinc/25/90/83/330259083.db2.gz OUOHRNBTXJEQEM-OLZOCXBDSA-N 0 3 251.374 2.189 20 30 CEEDHN C=CCN1CCC(Nc2nccnc2O[C@@H](C)CC)CC1 ZINC000527878229 330291418 /nfs/dbraw/zinc/29/14/18/330291418.db2.gz CYKJITYUARDYEQ-ZDUSSCGKSA-N 0 3 290.411 2.138 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc2ncccc21 ZINC000424145948 330292118 /nfs/dbraw/zinc/29/21/18/330292118.db2.gz ZXVPASROMNASFB-GFCCVEGCSA-N 0 3 268.320 2.194 20 30 CEEDHN CCO[C@@H](CCNC(=O)[C@H](N)CCCC#N)C1CCCC1 ZINC000424153198 330299864 /nfs/dbraw/zinc/29/98/64/330299864.db2.gz MPZSSTRIWOJHDT-CABCVRRESA-N 0 3 295.427 2.109 20 30 CEEDHN Cc1ccc(-n2cccn2)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424165070 330308508 /nfs/dbraw/zinc/30/85/08/330308508.db2.gz DFVVOLVNKSCIMF-AWEZNQCLSA-N 0 3 297.362 2.140 20 30 CEEDHN CCNc1cc(C)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000424174187 330314347 /nfs/dbraw/zinc/31/43/47/330314347.db2.gz LWAFDPPTUIZXTH-LBPRGKRZSA-N 0 3 274.368 2.387 20 30 CEEDHN CCC[C@H]1CCCCN1C(=O)[C@H](N)CCCC#N ZINC000424181957 330319779 /nfs/dbraw/zinc/31/97/79/330319779.db2.gz SHNWGRGVJWMZIK-QWHCGFSZSA-N 0 3 251.374 2.189 20 30 CEEDHN Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H](N)CCCC#N)n1 ZINC000424182628 330320067 /nfs/dbraw/zinc/32/00/67/330320067.db2.gz UKLCFUAQLMAWDY-ZDUSSCGKSA-N 0 3 297.362 2.345 20 30 CEEDHN C=CCC[C@H](CO)NCc1ccc2c(c1)OC(F)(F)O2 ZINC000424184599 330320249 /nfs/dbraw/zinc/32/02/49/330320249.db2.gz YBIKXNYKWKTVOT-LLVKDONJSA-N 0 3 285.290 2.425 20 30 CEEDHN Cc1ccccc1C[C@@H](C)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424190223 330322897 /nfs/dbraw/zinc/32/28/97/330322897.db2.gz PBTFCIOEZJIEQZ-ZBFHGGJFSA-N 0 3 287.407 2.406 20 30 CEEDHN CN(C(=O)[C@H](N)CCCC#N)C1C2CC3CC(C2)CC1C3 ZINC000424190578 330323202 /nfs/dbraw/zinc/32/32/02/330323202.db2.gz MRTBUYXQUCCIHX-BAPHQMLMSA-N 0 3 289.423 2.291 20 30 CEEDHN C[C@H](CNC(=O)NCC1(CC#N)CC1)N1CCC(C)CC1 ZINC000430437100 330568211 /nfs/dbraw/zinc/56/82/11/330568211.db2.gz JNOGJXNALWMRKB-CQSZACIVSA-N 0 3 292.427 2.100 20 30 CEEDHN N#CCCC[C@H](NCC(=O)NC1CC1)c1ccccc1 ZINC000433011574 330612108 /nfs/dbraw/zinc/61/21/08/330612108.db2.gz GQUNGBZSRQDLRJ-HNNXBMFYSA-N 0 3 271.364 2.290 20 30 CEEDHN C=CC[C@H](CO)CNCc1cc(F)cc(OC)c1 ZINC000449211131 330906601 /nfs/dbraw/zinc/90/66/01/330906601.db2.gz XIYCUVRASXUZJF-NSHDSACASA-N 0 3 253.317 2.109 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cnc([C@@H]2CCCO2)s1 ZINC000449695194 330944041 /nfs/dbraw/zinc/94/40/41/330944041.db2.gz DKGOHHQCQGRDQD-AAEUAGOBSA-N 0 3 282.409 2.411 20 30 CEEDHN C=CCC[C@H](CO)NCc1cc(OC)ccc1F ZINC000449696962 330944372 /nfs/dbraw/zinc/94/43/72/330944372.db2.gz JNSNCDSAAWSBRD-GFCCVEGCSA-N 0 3 253.317 2.251 20 30 CEEDHN C=CCN1CC[C@H](N(C)C[C@@H]2CCC(F)(F)C2)C1=O ZINC000450902756 331006044 /nfs/dbraw/zinc/00/60/44/331006044.db2.gz KKTMWCYAAKKLNQ-NEPJUHHUSA-N 0 3 272.339 2.141 20 30 CEEDHN C=CCOCCCN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451283234 331023008 /nfs/dbraw/zinc/02/30/08/331023008.db2.gz NCLXWADZWQMLDI-IAGOWNOFSA-N 0 3 293.382 2.379 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](SC)C1 ZINC000451323592 331024463 /nfs/dbraw/zinc/02/44/63/331024463.db2.gz VMJDHVLHWCHTRZ-CHWSQXEVSA-N 0 3 270.442 2.237 20 30 CEEDHN CC1(C)[C@H](NCC#Cc2ccccc2)[C@H]2CCO[C@H]21 ZINC000451468089 331030593 /nfs/dbraw/zinc/03/05/93/331030593.db2.gz JSZKBFIIDVQXOO-BZUAXINKSA-N 0 3 255.361 2.441 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](OC)[C@H](C)C1 ZINC000451537838 331033161 /nfs/dbraw/zinc/03/31/61/331033161.db2.gz CXYHTQPCMZMBJG-QLFBSQMISA-N 0 3 282.428 2.156 20 30 CEEDHN C=C(C)CCN1C[C@H](C)N(CCC(=C)C)C[C@@H]1C(=O)OC ZINC000451711491 331039841 /nfs/dbraw/zinc/03/98/41/331039841.db2.gz DIODLGIAWKCSAP-JKSUJKDBSA-N 0 3 294.439 2.467 20 30 CEEDHN C=CCCCCCN1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000451917751 331047324 /nfs/dbraw/zinc/04/73/24/331047324.db2.gz OFEDEHDEZIIGEM-MRXNPFEDSA-N 0 3 293.455 2.019 20 30 CEEDHN CN(C)C(=O)N[C@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000452004211 331049974 /nfs/dbraw/zinc/04/99/74/331049974.db2.gz AWKPMGPQUJBNDT-AWEZNQCLSA-N 0 3 294.443 2.442 20 30 CEEDHN C[C@H](CCO)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000452690855 331072431 /nfs/dbraw/zinc/07/24/31/331072431.db2.gz YVMCPYLDUQCJAW-HOCLYGCPSA-N 0 3 288.391 2.284 20 30 CEEDHN CCN(C(=O)C(C#N)CCc1ccccc1)C1COC1 ZINC000452979515 331082576 /nfs/dbraw/zinc/08/25/76/331082576.db2.gz UAMKSWGKUWCIGI-AWEZNQCLSA-N 0 3 272.348 2.006 20 30 CEEDHN C=C(C)CCNC(=O)N(C)C[C@@H]1CCCN1CC ZINC000455317175 331165828 /nfs/dbraw/zinc/16/58/28/331165828.db2.gz WKPJTEOKETVILF-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCC[C@@H](CO)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000456771191 331202300 /nfs/dbraw/zinc/20/23/00/331202300.db2.gz UMMLFIGGJBFWLA-HOCLYGCPSA-N 0 3 294.439 2.227 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)COC(C)(C)CC)CC1 ZINC000457547344 331226556 /nfs/dbraw/zinc/22/65/56/331226556.db2.gz VNKHVFWVFSGOCX-UHFFFAOYSA-N 0 3 282.428 2.348 20 30 CEEDHN C=CCN(C(=O)C1CN(C2CCCCC2)C1)C1CC1 ZINC000457681680 331231027 /nfs/dbraw/zinc/23/10/27/331231027.db2.gz BREKSDPWKNHXQQ-UHFFFAOYSA-N 0 3 262.397 2.428 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)NCC(C)(C)CC#N ZINC000457794995 331234554 /nfs/dbraw/zinc/23/45/54/331234554.db2.gz DFNAGTGGYXTNKX-ZDUSSCGKSA-N 0 3 282.432 2.202 20 30 CEEDHN C[C@H](CNC(=O)N(C)CC(C)(C)C#N)N1CCC(C)CC1 ZINC000458059744 331241990 /nfs/dbraw/zinc/24/19/90/331241990.db2.gz BKECNUXPTRCSQO-CQSZACIVSA-N 0 3 294.443 2.298 20 30 CEEDHN C=C(C)CCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000458996770 331265282 /nfs/dbraw/zinc/26/52/82/331265282.db2.gz HZSHRCZJPULRAQ-AWEZNQCLSA-N 0 3 279.428 2.468 20 30 CEEDHN C=C(C)CCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000459032925 331267427 /nfs/dbraw/zinc/26/74/27/331267427.db2.gz WWMPJFIYGZNLQW-UHFFFAOYSA-N 0 3 265.401 2.222 20 30 CEEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000459325773 331276305 /nfs/dbraw/zinc/27/63/05/331276305.db2.gz LMWMCVDSPGEJBL-UHFFFAOYSA-N 0 3 276.336 2.498 20 30 CEEDHN C=CCn1cccc1C(=O)NCCN1CCC(C)CC1 ZINC000488476184 332012631 /nfs/dbraw/zinc/01/26/31/332012631.db2.gz KORBNXQZNLVCGX-UHFFFAOYSA-N 0 3 275.396 2.136 20 30 CEEDHN C=CCCCS(=O)(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000489293803 332045696 /nfs/dbraw/zinc/04/56/96/332045696.db2.gz OPEPPRBMTZYTAT-KBPBESRZSA-N 0 3 288.457 2.135 20 30 CEEDHN C=CCCCS(=O)(=O)NCC[C@@H](C)N1CCCCC1 ZINC000489620339 332061793 /nfs/dbraw/zinc/06/17/93/332061793.db2.gz HQKOHLPKQJUNLC-CQSZACIVSA-N 0 3 288.457 2.137 20 30 CEEDHN C#C[C@@H](NC(=O)/C=C/CN(C)C)c1ccc(Cl)cc1F ZINC000491221524 332168927 /nfs/dbraw/zinc/16/89/27/332168927.db2.gz XKROSIORUPQSPZ-VBROQKIQSA-N 0 3 294.757 2.387 20 30 CEEDHN C#C[C@H](NCc1ccc(-n2cncn2)cc1)C(C)C ZINC000491229883 332170068 /nfs/dbraw/zinc/17/00/68/332170068.db2.gz JRWQNQIDAAYXSO-HNNXBMFYSA-N 0 3 254.337 2.015 20 30 CEEDHN C#C[C@H](NC(=O)[C@@H](CC)N(CC)CC)C(C)(C)C ZINC000491241727 332172787 /nfs/dbraw/zinc/17/27/87/332172787.db2.gz LJFQZNRPNJATKT-OLZOCXBDSA-N 0 3 252.402 2.271 20 30 CEEDHN C#C[C@H](CC)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000491315223 332188499 /nfs/dbraw/zinc/18/84/99/332188499.db2.gz LURGCTQVGGCBLU-IMJJTQAJSA-N 0 3 287.407 2.389 20 30 CEEDHN C#C[C@H](CC)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000491439681 332211656 /nfs/dbraw/zinc/21/16/56/332211656.db2.gz KXQOVZFORWTJJS-UKRRQHHQSA-N 0 3 262.397 2.312 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)NC[C@H](N)c1ccccc1CC ZINC000491637295 332258045 /nfs/dbraw/zinc/25/80/45/332258045.db2.gz YKIFKVFHRQYRCD-HOCLYGCPSA-N 0 3 287.407 2.350 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000491639374 332259565 /nfs/dbraw/zinc/25/95/65/332259565.db2.gz WTSKVLIDQKAADM-RDBSUJKOSA-N 0 3 291.395 2.372 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@H](c2ccccc2)C1 ZINC000491677623 332282477 /nfs/dbraw/zinc/28/24/77/332282477.db2.gz QYODIRWUCRXWKW-ZBFHGGJFSA-N 0 3 270.376 2.004 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCCCC2(F)F)CC1 ZINC000491693302 332289549 /nfs/dbraw/zinc/28/95/49/332289549.db2.gz IYEUWPQFVQVJMS-AWEZNQCLSA-N 0 3 298.377 2.273 20 30 CEEDHN C#C[C@H](CC)NC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000491698159 332292979 /nfs/dbraw/zinc/29/29/79/332292979.db2.gz AWHQJBUSONMGTO-MGPQQGTHSA-N 0 3 291.395 2.420 20 30 CEEDHN C#CCNC(=O)CCNC[C@H](c1ccccc1)C(F)(F)F ZINC000491749497 332326252 /nfs/dbraw/zinc/32/62/52/332326252.db2.gz GIBAZOXWUSBQQA-CYBMUJFWSA-N 0 3 298.308 2.062 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000491785355 332348085 /nfs/dbraw/zinc/34/80/85/332348085.db2.gz UPZCVOBJHOHZLC-RYUDHWBXSA-N 0 3 290.329 2.036 20 30 CEEDHN C#C[C@H](CC)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000491805671 332359091 /nfs/dbraw/zinc/35/90/91/332359091.db2.gz PEULKIBMBVYEHM-VXGBXAGGSA-N 0 3 289.335 2.313 20 30 CEEDHN C=C(C)CN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494237291 332467913 /nfs/dbraw/zinc/46/79/13/332467913.db2.gz JZKNPAICGLBASZ-UKRRQHHQSA-N 0 3 280.318 2.402 20 30 CEEDHN C=CCN1CCC(NC(=O)C(C2CC2)C2CC2)CC1 ZINC000178790280 333077799 /nfs/dbraw/zinc/07/77/99/333077799.db2.gz SRZOFMSKWHRDDX-UHFFFAOYSA-N 0 3 262.397 2.189 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCSC[C@@H](C)C1 ZINC000190423488 333206715 /nfs/dbraw/zinc/20/67/15/333206715.db2.gz BNILZOPLVHZMIY-ZDUSSCGKSA-N 0 3 270.442 2.096 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](C)[C@H]2C)CC1 ZINC000173195553 335129214 /nfs/dbraw/zinc/12/92/14/335129214.db2.gz YSMIPHSNXPIREC-ZIAGYGMSSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522642049 333294382 /nfs/dbraw/zinc/29/43/82/333294382.db2.gz QZFSHORJCZYGAP-GOEBONIOSA-N 0 3 287.407 2.374 20 30 CEEDHN CCCCOC1CCN(C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528395875 333433727 /nfs/dbraw/zinc/43/37/27/333433727.db2.gz OGTCLCUJGHRREH-AWEZNQCLSA-N 0 3 280.412 2.322 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)CC1 ZINC000528448873 333438542 /nfs/dbraw/zinc/43/85/42/333438542.db2.gz MBPGGPPDVWMMGP-NYTXWWLZSA-N 0 3 294.439 2.203 20 30 CEEDHN C=CCOc1ccc(CNCC[C@H](C)[S@@](C)=O)cc1 ZINC000129411765 333762303 /nfs/dbraw/zinc/76/23/03/333762303.db2.gz JPNQNMGXIMRKND-DJJJIMSYSA-N 0 3 281.421 2.498 20 30 CEEDHN COc1cccc(N2C[C@H](N[C@H]3CC[C@H](C#N)C3)CC2=O)c1 ZINC000549814386 334205593 /nfs/dbraw/zinc/20/55/93/334205593.db2.gz NXNWOKSNRRDAJX-MELADBBJSA-N 0 3 299.374 2.082 20 30 CEEDHN CC(C)n1cc([C@H](C)NCCOCCC#N)cn1 ZINC000549934066 334209597 /nfs/dbraw/zinc/20/95/97/334209597.db2.gz USYPIBAGBYISBS-LBPRGKRZSA-N 0 3 250.346 2.045 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@H](C)[C@@H]2CO)cc1OC ZINC000249070256 334326728 /nfs/dbraw/zinc/32/67/28/334326728.db2.gz JNFVKYHJBQWLKW-ZFWWWQNUSA-N 0 3 291.391 2.463 20 30 CEEDHN C=C(CC)CNC[C@@H](O)COc1ccc(C(C)=O)cc1 ZINC000566120782 334625092 /nfs/dbraw/zinc/62/50/92/334625092.db2.gz WEJAUVJCTZKASZ-OAHLLOKOSA-N 0 3 277.364 2.185 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccnc(OC)c1 ZINC000566475486 334651480 /nfs/dbraw/zinc/65/14/80/334651480.db2.gz LXYYGUJCWFRDIW-BNOWGMLFSA-N 0 3 262.353 2.474 20 30 CEEDHN C=CCCCCCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000568245252 334808070 /nfs/dbraw/zinc/80/80/70/334808070.db2.gz HDRXRCUTZDGGEW-OLZOCXBDSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCN1CCC(NC(=O)N2[C@H](C)CC[C@H]2C)CC1 ZINC000176598652 335309565 /nfs/dbraw/zinc/30/95/65/335309565.db2.gz OQJNAHOYDVVKQD-CHWSQXEVSA-N 0 3 265.401 2.219 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)NC1CCN(C)CC1 ZINC000180889562 335628332 /nfs/dbraw/zinc/62/83/32/335628332.db2.gz LUUGQYSQIAHOGN-LBPRGKRZSA-N 0 3 253.390 2.125 20 30 CEEDHN C[C@H](Cc1ccc(O)cc1)NC[C@H](C#N)CCC#N ZINC000579344791 335736258 /nfs/dbraw/zinc/73/62/58/335736258.db2.gz KJWAINZQYANYDD-OCCSQVGLSA-N 0 3 257.337 2.356 20 30 CEEDHN C=CCOc1cccc(CNC2(CC(=O)OC)CC2)c1 ZINC000579601293 335818929 /nfs/dbraw/zinc/81/89/29/335818929.db2.gz GXFQLIUISIPQQS-UHFFFAOYSA-N 0 3 275.348 2.437 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1nc2cccnc2[nH]1 ZINC000330043709 534145753 /nfs/dbraw/zinc/14/57/53/534145753.db2.gz CLMVIORVGWYBBO-GHMZBOCLSA-N 0 3 287.367 2.287 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000347232842 534284335 /nfs/dbraw/zinc/28/43/35/534284335.db2.gz ORPJIBCTZPXDEG-VXGBXAGGSA-N 0 3 268.320 2.209 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000347755955 534284374 /nfs/dbraw/zinc/28/43/74/534284374.db2.gz QQKVRXUOTJKYIO-VXGBXAGGSA-N 0 3 268.320 2.209 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cccc(O)c2)CC1 ZINC000182391802 518603580 /nfs/dbraw/zinc/60/35/80/518603580.db2.gz QCHXTXQSJKGMNI-UHFFFAOYSA-N 0 3 274.364 2.163 20 30 CEEDHN C=CCOc1ccc(CN[C@H](C)Cn2cncn2)cc1 ZINC000067505082 519036008 /nfs/dbraw/zinc/03/60/08/519036008.db2.gz HDZYUUDRGCKZTQ-CYBMUJFWSA-N 0 3 272.352 2.021 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(OC(F)F)c(F)c1 ZINC000184287955 519117937 /nfs/dbraw/zinc/11/79/37/519117937.db2.gz FYXWMPXUZUDZSG-SNVBAGLBSA-N 0 3 275.270 2.454 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(OC)c(OCC)c1 ZINC000184283178 519118680 /nfs/dbraw/zinc/11/86/80/519118680.db2.gz BITAYDWXWJFUQT-CYBMUJFWSA-N 0 3 265.353 2.121 20 30 CEEDHN CCOC(=O)N1CC[C@H](N[C@H](C)c2cccc(C#N)c2)C1 ZINC000186464987 520968186 /nfs/dbraw/zinc/96/81/86/520968186.db2.gz RQLVQXOZYZDORQ-DOMZBBRYSA-N 0 3 287.363 2.440 20 30 CEEDHN C[C@H]1C[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)CCN1C ZINC000157958565 524815885 /nfs/dbraw/zinc/81/58/85/524815885.db2.gz HDBOSFBFMYBFBD-GWCFXTLKSA-N 0 3 274.324 2.361 20 30 CEEDHN CC(=O)CC(C)(C)CC(=O)N(CCC#N)CCCN(C)C ZINC000350732885 526397768 /nfs/dbraw/zinc/39/77/68/526397768.db2.gz UOYZWLUUVJCVJK-UHFFFAOYSA-N 0 3 295.427 2.076 20 30 CEEDHN C=CCNC(=O)CN1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000347577251 526540141 /nfs/dbraw/zinc/54/01/41/526540141.db2.gz HDDJQNHQLAWGCT-QWHCGFSZSA-N 0 3 252.402 2.435 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CCCCC[C@H]1CC(C)C ZINC000354465410 526587402 /nfs/dbraw/zinc/58/74/02/526587402.db2.gz VSGZRFBIEZZTOU-AWEZNQCLSA-N 0 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ZINC001024630838 625727351 /nfs/dbraw/zinc/72/73/51/625727351.db2.gz XSHBBXOIWPTWNO-SJLPKXTDSA-N 0 3 296.414 2.320 20 30 CEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001024666832 625744008 /nfs/dbraw/zinc/74/40/08/625744008.db2.gz WXBDZNJRKWFNMM-QLFBSQMISA-N 0 3 262.397 2.027 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCCCN2CC(=C)C)nc1 ZINC001024764931 625797377 /nfs/dbraw/zinc/79/73/77/625797377.db2.gz XIEKWLQWXTXFHP-INIZCTEOSA-N 0 3 297.402 2.223 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](F)C1 ZINC001017855207 627346564 /nfs/dbraw/zinc/34/65/64/627346564.db2.gz HLVBOHBGAVWMGU-ZQDZILKHSA-N 0 3 280.387 2.376 20 30 CEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccncc1 ZINC001025196672 627378857 /nfs/dbraw/zinc/37/88/57/627378857.db2.gz YIXCGWGEKNINPV-DLBZAZTESA-N 0 3 297.402 2.174 20 30 CEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cccn1C ZINC001025201765 627380738 /nfs/dbraw/zinc/38/07/38/627380738.db2.gz RMBIJXPFKNWEBD-CVEARBPZSA-N 0 3 299.418 2.117 20 30 CEEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1c[nH]cc1C ZINC001025301032 627621430 /nfs/dbraw/zinc/62/14/30/627621430.db2.gz HECRJXIFCSWZDR-DLBZAZTESA-N 0 3 299.418 2.415 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CCCC2)C1 ZINC001025322086 627631922 /nfs/dbraw/zinc/63/19/22/627631922.db2.gz DYGLMZFNKGLPLS-GOEBONIOSA-N 0 3 276.424 2.417 20 30 CEEDHN COc1cc([C@H](C)N[C@H]2Cc3ccc(C#N)cc3C2)on1 ZINC000926813498 627639134 /nfs/dbraw/zinc/63/91/34/627639134.db2.gz UVRMSEJDNKDYCH-HZMBPMFUSA-N 0 3 283.331 2.373 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C)nc(C)c2)C1 ZINC001025432976 627691969 /nfs/dbraw/zinc/69/19/69/627691969.db2.gz WMKQHUVGFQNKNO-JKSUJKDBSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C23CCC(CC2)C3)C1 ZINC001025458317 627704783 /nfs/dbraw/zinc/70/47/83/627704783.db2.gz IBYCVEZAORFBMB-UERKLNTKSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ncc(C)cc2C)C1 ZINC001025490287 627724109 /nfs/dbraw/zinc/72/41/09/627724109.db2.gz UCJAENBPGQJXBA-CVEARBPZSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCN1CCC[C@H](N[C@H](C)c2c(C)noc2C)C1 ZINC000926865890 627858002 /nfs/dbraw/zinc/85/80/02/627858002.db2.gz IRGFKHOHXBLSMD-RISCZKNCSA-N 0 3 261.369 2.040 20 30 CEEDHN C=C1CCC(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)CC1 ZINC000888922678 628266778 /nfs/dbraw/zinc/26/67/78/628266778.db2.gz GEFKUSCIABEBKU-OAHLLOKOSA-N 0 3 262.397 2.428 20 30 CEEDHN CC(=O)NC1CCC(NCc2cc(F)ccc2C#N)CC1 ZINC001026435322 628298921 /nfs/dbraw/zinc/29/89/21/628298921.db2.gz NGPDHBMEHLRNJH-UHFFFAOYSA-N 0 3 289.354 2.234 20 30 CEEDHN C#C[C@@H](NCCc1ccc(F)c(F)c1)[C@H]1CCCO1 ZINC000775806516 628342303 /nfs/dbraw/zinc/34/23/03/628342303.db2.gz MEIFPNIGDDMRGW-HUUCEWRRSA-N 0 3 265.303 2.278 20 30 CEEDHN COc1cccc(NC(=O)C(C#N)C(=O)Cc2ccoc2)c1 ZINC000123598005 628387445 /nfs/dbraw/zinc/38/74/45/628387445.db2.gz MFSNPYKYWQTFLV-AWEZNQCLSA-N 0 3 298.298 2.178 20 30 CEEDHN Cc1nc(CN)ccc1[C@@H](C)NCc1nc(C#N)cs1 ZINC000902443820 634660142 /nfs/dbraw/zinc/66/01/42/634660142.db2.gz FAUWXAZAZQAQNZ-SECBINFHSA-N 0 3 287.392 2.028 20 30 CEEDHN CCOC(=O)/C=C/CN(C)CCc1cccc(C#N)c1 ZINC000931510440 628650557 /nfs/dbraw/zinc/65/05/57/628650557.db2.gz UDROTZMXKCSKTP-VMPITWQZSA-N 0 3 272.348 2.152 20 30 CEEDHN C#CCOc1ccccc1CN1CCC(OC(C)=O)CC1 ZINC000093454024 628659720 /nfs/dbraw/zinc/65/97/20/628659720.db2.gz CQGMCGMVKUJSEJ-UHFFFAOYSA-N 0 3 287.359 2.226 20 30 CEEDHN CO[C@@H]1CC[C@@H](N2CCN(c3ccccc3C#N)CC2)C1 ZINC000821369714 634700059 /nfs/dbraw/zinc/70/00/59/634700059.db2.gz WIWIOJSAPJWOFC-HZPDHXFCSA-N 0 3 285.391 2.248 20 30 CEEDHN C#CCCCCCN(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000877963392 629218333 /nfs/dbraw/zinc/21/83/33/629218333.db2.gz FOLWCLKYLUEARZ-AWEZNQCLSA-N 0 3 271.426 2.079 20 30 CEEDHN C#CC[C@H](NC[C@H]1[C@H](C(=O)OC)C1(F)F)c1ccccc1 ZINC000894362279 629393346 /nfs/dbraw/zinc/39/33/46/629393346.db2.gz RJPJTCDLZPOSON-MELADBBJSA-N 0 3 293.313 2.395 20 30 CEEDHN C#C[C@H](N[C@@H]1CCC2(C[C@H]1F)OCCO2)C(C)(C)C ZINC000894518066 629509272 /nfs/dbraw/zinc/50/92/72/629509272.db2.gz VRMFLDCFFCZFAX-UPJWGTAASA-N 0 3 269.360 2.258 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](CF)C1 ZINC000880235262 629585562 /nfs/dbraw/zinc/58/55/62/629585562.db2.gz NEIXQLXYQUYEKK-ZIAGYGMSSA-N 0 3 268.376 2.257 20 30 CEEDHN CN1C[C@]2(C)CN(c3snc(Cl)c3C#N)C[C@]2(C)C1 ZINC000894796296 629644241 /nfs/dbraw/zinc/64/42/41/629644241.db2.gz AFBJCDBWYLOOCF-BETUJISGSA-N 0 3 296.827 2.446 20 30 CEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cc1 ZINC000928449451 629690262 /nfs/dbraw/zinc/69/02/62/629690262.db2.gz GAYKHTANZJCRLA-SWLSCSKDSA-N 0 3 274.364 2.074 20 30 CEEDHN COc1ccc2nccc(N3CCN(CCC#N)CC3)c2c1 ZINC000895027663 629810816 /nfs/dbraw/zinc/81/08/16/629810816.db2.gz ICKNKUCYPJPLSH-UHFFFAOYSA-N 0 3 296.374 2.279 20 30 CEEDHN CC[C@H]1CCC[C@@H](CN2CCN(C(=O)CC#N)CC2)C1 ZINC000895066163 629841648 /nfs/dbraw/zinc/84/16/48/629841648.db2.gz ONHYWANMGKWOHS-LSDHHAIUSA-N 0 3 277.412 2.261 20 30 CEEDHN O=C1[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)CCCN1[O-] ZINC000895157438 629974231 /nfs/dbraw/zinc/97/42/31/629974231.db2.gz CKOMHUDQTVWTGE-ZALBZXLWSA-N 0 3 296.411 2.227 20 30 CEEDHN C[C@H]([NH2+][C@H]1CCCN([O-])C1=O)[C@@H]1C[C@H]1c1cccs1 ZINC000895158822 629975389 /nfs/dbraw/zinc/97/53/89/629975389.db2.gz OOLFAJLSVGGVLJ-YFKTTZPYSA-N 0 3 280.393 2.210 20 30 CEEDHN O=C1[C@@H]([NH2+]C2CC3(C2)CCCCC3)CCCN1[O-] ZINC000895158476 629975769 /nfs/dbraw/zinc/97/57/69/629975769.db2.gz JXVDALYZKCWWBH-LBPRGKRZSA-N 0 3 252.358 2.069 20 30 CEEDHN C[C@@H](C[NH2+][C@@H]1CCCN([O-])C1=O)c1cc(F)cc(F)c1 ZINC000895159073 629975851 /nfs/dbraw/zinc/97/58/51/629975851.db2.gz RMKBEVUZGOXANG-TVQRCGJNSA-N 0 3 284.306 2.038 20 30 CEEDHN C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895159412 629976551 /nfs/dbraw/zinc/97/65/51/629976551.db2.gz VKRFUDPUYQXVGK-BXUZGUMPSA-N 0 3 288.347 2.334 20 30 CEEDHN C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895159413 629976754 /nfs/dbraw/zinc/97/67/54/629976754.db2.gz VKRFUDPUYQXVGK-FZMZJTMJSA-N 0 3 288.347 2.334 20 30 CEEDHN C[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895162344 629981355 /nfs/dbraw/zinc/98/13/55/629981355.db2.gz KPVQUJGPKUJFTF-DZGCQCFKSA-N 0 3 276.380 2.225 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1coc2ccccc12 ZINC000796792930 630010166 /nfs/dbraw/zinc/01/01/66/630010166.db2.gz NBJNSJGEKCPYAM-ZDUSSCGKSA-N 0 3 284.315 2.209 20 30 CEEDHN C=CCCSCCNCc1ccc(OC)cn1 ZINC000895331339 630120062 /nfs/dbraw/zinc/12/00/62/630120062.db2.gz VUJCBCBVGLZAIR-UHFFFAOYSA-N 0 3 252.383 2.489 20 30 CEEDHN C#CC[C@@H]1CCN(Cc2cnc3onc(C)c3c2)C1 ZINC000895388869 630159498 /nfs/dbraw/zinc/15/94/98/630159498.db2.gz BDPJVTZMLWVAJR-GFCCVEGCSA-N 0 3 255.321 2.376 20 30 CEEDHN C[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000902735122 634801631 /nfs/dbraw/zinc/80/16/31/634801631.db2.gz ZXPIFHMAGJSDRU-BDJLRTHQSA-N 0 3 285.322 2.477 20 30 CEEDHN N#Cc1cccc(CNC[C@@H]2CCC3(CCC3)O2)n1 ZINC000895677169 630296856 /nfs/dbraw/zinc/29/68/56/630296856.db2.gz JTKYGVXHYILZGJ-AWEZNQCLSA-N 0 3 257.337 2.145 20 30 CEEDHN C#CC1(NCc2ccc(C(=O)OCC)[nH]2)CCCC1 ZINC000895678273 630297126 /nfs/dbraw/zinc/29/71/26/630297126.db2.gz YUJHXLWTVDCNCF-UHFFFAOYSA-N 0 3 260.337 2.227 20 30 CEEDHN C#CCC1(O)CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000895671400 630300461 /nfs/dbraw/zinc/30/04/61/630300461.db2.gz TYLAXNRVTVTRSM-UHFFFAOYSA-N 0 3 259.349 2.051 20 30 CEEDHN C=CCCSCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000895693395 630304107 /nfs/dbraw/zinc/30/41/07/630304107.db2.gz CATMYPYLQJNSRZ-KBPBESRZSA-N 0 3 297.468 2.174 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1nc2ccccc2nc1C ZINC000895713223 630311535 /nfs/dbraw/zinc/31/15/35/630311535.db2.gz LHNJKEGFWNZIOW-CYBMUJFWSA-N 0 3 271.364 2.355 20 30 CEEDHN CN1CC[C@@H]1CNc1cccc(-n2cccc2)c1C#N ZINC000895768309 630337097 /nfs/dbraw/zinc/33/70/97/630337097.db2.gz BTXPEVVKRRXZQT-CYBMUJFWSA-N 0 3 266.348 2.465 20 30 CEEDHN N#Cc1cccc(CNC[C@@H]2CC3(CCC3)CO2)n1 ZINC000895788815 630345253 /nfs/dbraw/zinc/34/52/53/630345253.db2.gz IDRYRBFDVSRRPZ-AWEZNQCLSA-N 0 3 257.337 2.002 20 30 CEEDHN CC[C@H](CNCc1cccc(C#N)n1)C(=O)OC(C)(C)C ZINC000896627501 630615888 /nfs/dbraw/zinc/61/58/88/630615888.db2.gz FFCBPPHFKANHLD-GFCCVEGCSA-N 0 3 289.379 2.411 20 30 CEEDHN CC(=O)N1CCC(N(C)Cc2ccc(C#N)s2)CC1 ZINC000985192051 630892432 /nfs/dbraw/zinc/89/24/32/630892432.db2.gz APLVHXNLGDZVHF-UHFFFAOYSA-N 0 3 277.393 2.062 20 30 CEEDHN CC(=NNCC(C)(C)CO)c1ccc(N(C)C)cc1 ZINC000799116029 630980479 /nfs/dbraw/zinc/98/04/79/630980479.db2.gz ZAMJZHNFCJTQAX-UHFFFAOYSA-N 0 3 263.385 2.085 20 30 CEEDHN COC(=O)c1ccccc1CCNCc1ccc(C#N)o1 ZINC000897309790 631076628 /nfs/dbraw/zinc/07/66/28/631076628.db2.gz OLDPJPLCNWDUHN-UHFFFAOYSA-N 0 3 284.315 2.270 20 30 CEEDHN C[C@@H]1C[C@H](C)[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2)O1 ZINC000800385574 631117145 /nfs/dbraw/zinc/11/71/45/631117145.db2.gz ZVRSVLFQEDSARD-YODMDTAWSA-N 0 3 286.331 2.147 20 30 CEEDHN C#CCCN[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000800505977 631130974 /nfs/dbraw/zinc/13/09/74/631130974.db2.gz POYIFROEJCQBKI-MRXNPFEDSA-N 0 3 266.344 2.203 20 30 CEEDHN C[C@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)C1CC1 ZINC000985843671 631188481 /nfs/dbraw/zinc/18/84/81/631188481.db2.gz IXWMIBBYVXCYMH-HZMBPMFUSA-N 0 3 289.404 2.109 20 30 CEEDHN C=CC[C@H](C)[C@H](C)NCc1noc2c1COCC2 ZINC000897365437 631205621 /nfs/dbraw/zinc/20/56/21/631205621.db2.gz HIXZYYBIYYDQHB-QWRGUYRKSA-N 0 3 250.342 2.438 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001007024189 631215089 /nfs/dbraw/zinc/21/50/89/631215089.db2.gz FBSCPXHISCVWLR-CAOSSQGBSA-N 0 3 274.408 2.027 20 30 CEEDHN CCN(CCO[C@H](C)C#N)Cc1ccc(OC)c(OC)c1 ZINC000801910453 631349220 /nfs/dbraw/zinc/34/92/20/631349220.db2.gz LGEJFTLQQWJZKZ-CYBMUJFWSA-N 0 3 292.379 2.454 20 30 CEEDHN CCN(CCO[C@@H](C)C#N)C[C@@H]1COc2ccccc2O1 ZINC000801909755 631349439 /nfs/dbraw/zinc/34/94/39/631349439.db2.gz GMWMJGRRZBUOMS-UONOGXRCSA-N 0 3 290.363 2.077 20 30 CEEDHN Cc1ccc(OCCN(C)CCO[C@H](C)C#N)cc1 ZINC000801912038 631351918 /nfs/dbraw/zinc/35/19/18/631351918.db2.gz YDFMENLZOQTTNM-CQSZACIVSA-N 0 3 262.353 2.234 20 30 CEEDHN C[C@@H](NCCO[C@@H](C)C#N)c1ccccc1[N+](=O)[O-] ZINC000801939112 631363980 /nfs/dbraw/zinc/36/39/80/631363980.db2.gz MQTGDAMMUUQDFL-WDEREUQCSA-N 0 3 263.297 2.174 20 30 CEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000802042804 631378418 /nfs/dbraw/zinc/37/84/18/631378418.db2.gz KAIBAQWBRORATR-GARJFASQSA-N 0 3 278.258 2.235 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCC2CCCC2)C1 ZINC000987898108 631472389 /nfs/dbraw/zinc/47/23/89/631472389.db2.gz OWGKNZSROJLTTQ-DZGCQCFKSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc3cc(C)cn3c2)C1 ZINC000988933339 631708719 /nfs/dbraw/zinc/70/87/19/631708719.db2.gz JYCRPXPOGRQDDA-GDBMZVCRSA-N 0 3 295.386 2.074 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2ccccc2CC)C1 ZINC000989033728 631717709 /nfs/dbraw/zinc/71/77/09/631717709.db2.gz KJLCIFVRGSAIDH-YOEHRIQHSA-N 0 3 284.403 2.004 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(F)ccc2CC)C1 ZINC000989096149 631723422 /nfs/dbraw/zinc/72/34/22/631723422.db2.gz VXBWHIZMCLQPGJ-IUODEOHRSA-N 0 3 288.366 2.214 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2cc3ccccc3o2)C1 ZINC000989276287 631765717 /nfs/dbraw/zinc/76/57/17/631765717.db2.gz XLDIGQIWYKQYBD-DZGCQCFKSA-N 0 3 296.370 2.188 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccccc2CC)C1 ZINC000989384277 631804113 /nfs/dbraw/zinc/80/41/13/631804113.db2.gz NBQPBOQQTBKCDE-DZGCQCFKSA-N 0 3 270.376 2.075 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C)c(Cl)c2)C1 ZINC000989397275 631808984 /nfs/dbraw/zinc/80/89/84/631808984.db2.gz JGUAPJJATPLPGM-JSGCOSHPSA-N 0 3 290.794 2.474 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(Cl)c(C)c2)C1 ZINC000989404919 631816373 /nfs/dbraw/zinc/81/63/73/631816373.db2.gz HWEDDKQMSWKDSD-GXTWGEPZSA-N 0 3 290.794 2.474 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC)[C@H]1CC1(C)C ZINC000841587842 631833315 /nfs/dbraw/zinc/83/33/15/631833315.db2.gz MBOJKLIERKDPDU-KGLIPLIRSA-N 0 3 279.428 2.065 20 30 CEEDHN C#CCN(CC)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000876068046 650039845 /nfs/dbraw/zinc/03/98/45/650039845.db2.gz HICVAKICWAWADX-QGZVFWFLSA-N 0 3 299.418 2.234 20 30 CEEDHN CCOc1ccc([C@@H]2CCCN2C[C@H](O)CC#N)cc1 ZINC000809570510 632102034 /nfs/dbraw/zinc/10/20/34/632102034.db2.gz PLDPNPGVBYWJDS-ZBFHGGJFSA-N 0 3 274.364 2.497 20 30 CEEDHN N#CC[C@@H](O)CN1CCC(Cc2cccc(F)c2)CC1 ZINC000809572113 632102818 /nfs/dbraw/zinc/10/28/18/632102818.db2.gz HMXCAXBFLBQFHS-MRXNPFEDSA-N 0 3 276.355 2.355 20 30 CEEDHN C#C[C@@H](C)NCc1ccc(Oc2cnccn2)cc1 ZINC000809683758 632125382 /nfs/dbraw/zinc/12/53/82/632125382.db2.gz NLGKZORBFMSXBL-GFCCVEGCSA-N 0 3 253.305 2.380 20 30 CEEDHN C[C@@H](C#N)OCCN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000810047402 632173351 /nfs/dbraw/zinc/17/33/51/632173351.db2.gz CLKBEHNGHWIHLQ-WMLDXEAASA-N 0 3 286.375 2.385 20 30 CEEDHN C=CCCN1CCCN(C(=O)c2coc(CCC)n2)CC1 ZINC000989474363 632182846 /nfs/dbraw/zinc/18/28/46/632182846.db2.gz HMFJIUHHGCGOHR-UHFFFAOYSA-N 0 3 291.395 2.351 20 30 CEEDHN CN(CCC#N)c1ccc(CNCc2cncn2C)cc1 ZINC000810159087 632189862 /nfs/dbraw/zinc/18/98/62/632189862.db2.gz CQMIFWZZYOMBTH-UHFFFAOYSA-N 0 3 283.379 2.060 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(Cl)cs2)C1 ZINC000989512114 632196349 /nfs/dbraw/zinc/19/63/49/632196349.db2.gz XWAGNWKABAHVGY-KOLCDFICSA-N 0 3 282.796 2.227 20 30 CEEDHN C=C(C)CCN1CCCN(C(=O)c2cc(CC)on2)CC1 ZINC000989510861 632196580 /nfs/dbraw/zinc/19/65/80/632196580.db2.gz GESGMHBBHWMKFS-UHFFFAOYSA-N 0 3 291.395 2.351 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2csc(Cl)c2)C1 ZINC000989519200 632198955 /nfs/dbraw/zinc/19/89/55/632198955.db2.gz KHUCYIRZIZLDCJ-MWLCHTKSSA-N 0 3 282.796 2.227 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc3c2ccn3C)C1 ZINC000989561425 632205774 /nfs/dbraw/zinc/20/57/74/632205774.db2.gz CUHPKNPIUVLRLW-KBPBESRZSA-N 0 3 295.386 2.004 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc(C)c2Cl)C1 ZINC000989569456 632206155 /nfs/dbraw/zinc/20/61/55/632206155.db2.gz TZGAIYZKWVZUNN-QWHCGFSZSA-N 0 3 290.794 2.474 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@@H]1C[C@@H]2COC[C@H]2O1 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C[C@H](NC[C@H]1CCCC[C@@H]1O)c1cc(C#N)ccn1 ZINC000903011340 634937544 /nfs/dbraw/zinc/93/75/44/634937544.db2.gz XJFQOELTRLQCQN-LNSITVRQSA-N 0 3 259.353 2.155 20 30 CEEDHN C[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)N1CCCCC1 ZINC000822663047 634967429 /nfs/dbraw/zinc/96/74/29/634967429.db2.gz KDEIUTUJPGEZOX-YOEHRIQHSA-N 0 3 289.423 2.451 20 30 CEEDHN C[C@H](NC[C@H](O)Cc1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000903094691 634976021 /nfs/dbraw/zinc/97/60/21/634976021.db2.gz PPSIKHDOHNKSCA-BLLLJJGKSA-N 0 3 299.349 2.347 20 30 CEEDHN COC[C@H](N[C@@H](C)c1cc(C#N)ccn1)[C@H]1CCCOC1 ZINC000903095384 634976206 /nfs/dbraw/zinc/97/62/06/634976206.db2.gz VXXXSBHOYQNOPG-NOLJZWGESA-N 0 3 289.379 2.045 20 30 CEEDHN C#CCCOc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000822763504 634990152 /nfs/dbraw/zinc/99/01/52/634990152.db2.gz UWPXBHBTBRMBHI-OAHLLOKOSA-N 0 3 298.386 2.055 20 30 CEEDHN Oc1cccc(/C=N/[C@@H]2CCCN3CCSC[C@@H]23)c1O ZINC000905003034 635773911 /nfs/dbraw/zinc/77/39/11/635773911.db2.gz OFZWEXRNGHGMGG-OEYQNCTESA-N 0 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ZINC001006178879 643777567 /nfs/dbraw/zinc/77/75/67/643777567.db2.gz YRYBDNFPBDGLSJ-UHFFFAOYSA-N 0 3 279.409 2.256 20 30 CEEDHN CCCCCCO[C@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000842285322 643793932 /nfs/dbraw/zinc/79/39/32/643793932.db2.gz PDLYFLPOPFZSKU-ZIAGYGMSSA-N 0 3 294.395 2.303 20 30 CEEDHN C#Cc1cccnc1N1CC(N(C)Cc2ccccc2)C1 ZINC000853619181 643834052 /nfs/dbraw/zinc/83/40/52/643834052.db2.gz SVNNMQOTUOKWRN-UHFFFAOYSA-N 0 3 277.371 2.384 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC1(C)CCC(C)CC1 ZINC000838302211 643899100 /nfs/dbraw/zinc/89/91/00/643899100.db2.gz NIAYYRILDQDAMP-UHFFFAOYSA-N 0 3 279.428 2.210 20 30 CEEDHN CCCCCCN(C)CC(=O)N1CCC(C#N)CC1 ZINC000111587688 643899377 /nfs/dbraw/zinc/89/93/77/643899377.db2.gz SUVUEVWKTYWTHL-UHFFFAOYSA-N 0 3 265.401 2.261 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@H](C(C)C)[C@@H]1C(C)C ZINC000838622258 643980564 /nfs/dbraw/zinc/98/05/64/643980564.db2.gz SMYLPDQFECDKNS-CVEARBPZSA-N 0 3 293.455 2.264 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H](C)CCCC ZINC000838622710 643981130 /nfs/dbraw/zinc/98/11/30/643981130.db2.gz YUIHHETVEGNIAI-CQSZACIVSA-N 0 3 267.417 2.162 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC1(CC=C)CCCC1 ZINC000854094546 643984103 /nfs/dbraw/zinc/98/41/03/643984103.db2.gz VIDRLMFEQFZSNP-UHFFFAOYSA-N 0 3 277.412 2.130 20 30 CEEDHN C=CCONC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000838712248 644001287 /nfs/dbraw/zinc/00/12/87/644001287.db2.gz QKVXQBBCMJUUPM-HIFRSBDPSA-N 0 3 289.379 2.066 20 30 CEEDHN CC(C)OC(=O)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000886730894 644266232 /nfs/dbraw/zinc/26/62/32/644266232.db2.gz OYPJYCVFKGUPGD-OCCSQVGLSA-N 0 3 264.369 2.342 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000855437007 644354107 /nfs/dbraw/zinc/35/41/07/644354107.db2.gz PNBOBAWONJRAOC-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN COC[C@H](C)CC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000756232885 644618105 /nfs/dbraw/zinc/61/81/05/644618105.db2.gz HTLUCPTUEFOGHT-TZMCWYRMSA-N 0 3 288.347 2.315 20 30 CEEDHN C#CCCCCCC(=O)N1CCN[C@H](C(C)C)C1 ZINC000856489991 644686084 /nfs/dbraw/zinc/68/60/84/644686084.db2.gz SUJWCIOGBPDGNE-AWEZNQCLSA-N 0 3 250.386 2.027 20 30 CEEDHN C=CCC1(NCc2cn(C)nc2Cl)CCOCC1 ZINC000856793291 644726818 /nfs/dbraw/zinc/72/68/18/644726818.db2.gz GZYMHTDMLQOFHN-UHFFFAOYSA-N 0 3 269.776 2.288 20 30 CEEDHN C=C(C)CN(CC)C[C@@H](O)c1cc(Br)no1 ZINC000877935985 650952595 /nfs/dbraw/zinc/95/25/95/650952595.db2.gz PLPGBOMXSHHMJL-SECBINFHSA-N 0 3 289.173 2.369 20 30 CEEDHN CC[C@@H](Cc1ccccc1)N(CC)CC(=O)NCCC#N ZINC000759416246 645023291 /nfs/dbraw/zinc/02/32/91/645023291.db2.gz AQSLRTWTJYCKMK-INIZCTEOSA-N 0 3 287.407 2.359 20 30 CEEDHN C#CC[C@H](COC)NCc1cc(CC=C)c(O)c(OC)c1 ZINC000858334971 645122910 /nfs/dbraw/zinc/12/29/10/645122910.db2.gz JHBNFAJTBXVKJN-OAHLLOKOSA-N 0 3 289.375 2.257 20 30 CEEDHN C#CC[C@H](COC)NCc1ccc(OCC=C)c(OC)c1 ZINC000858335656 645123333 /nfs/dbraw/zinc/12/33/33/645123333.db2.gz BTRHLGXXDMDJTF-OAHLLOKOSA-N 0 3 289.375 2.388 20 30 CEEDHN C#CC[C@H](COC)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000858335785 645123966 /nfs/dbraw/zinc/12/39/66/645123966.db2.gz GWBWEVGYDMHHRD-VIIAAUOXSA-N 0 3 274.320 2.236 20 30 CEEDHN C[C@@H]1CCC[C@H](OCC(=O)C(C#N)c2ccncn2)C1 ZINC000760341002 645142031 /nfs/dbraw/zinc/14/20/31/645142031.db2.gz QEAXQOLMKIGQTB-AGIUHOORSA-N 0 3 273.336 2.248 20 30 CEEDHN N#CC(C(=O)C=C(C1CC1)C1CC1)c1ccncn1 ZINC000760344051 645143376 /nfs/dbraw/zinc/14/33/76/645143376.db2.gz FVLHJESKJBKHCY-CYBMUJFWSA-N 0 3 253.305 2.399 20 30 CEEDHN CC(C)CCO[C@@H](C)C(=O)C(C#N)c1ccncn1 ZINC000760342931 645143530 /nfs/dbraw/zinc/14/35/30/645143530.db2.gz ZILFBULHPMSCIX-RYUDHWBXSA-N 0 3 261.325 2.104 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC(CC(C)C)CC1 ZINC000760923479 645211325 /nfs/dbraw/zinc/21/13/25/645211325.db2.gz BIEDCDJSVDCXBP-ZDUSSCGKSA-N 0 3 252.402 2.435 20 30 CEEDHN C[C@@H]1CN(CC#Cc2ccc(Cl)cc2)CCN1C ZINC000761071592 645230580 /nfs/dbraw/zinc/23/05/80/645230580.db2.gz QEZFANGTXAKINX-CYBMUJFWSA-N 0 3 262.784 2.327 20 30 CEEDHN C=C1CCN(C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000878087799 650993672 /nfs/dbraw/zinc/99/36/72/650993672.db2.gz YORUZTKTARZZLH-AWEZNQCLSA-N 0 3 253.386 2.085 20 30 CEEDHN C#CCNC(=O)CN1CCC[C@H]1c1cc(C)ccc1C ZINC000761955062 645341842 /nfs/dbraw/zinc/34/18/42/645341842.db2.gz CXMQQCPANMPJBY-INIZCTEOSA-N 0 3 270.376 2.190 20 30 CEEDHN C[C@H](NC(=O)C1(N(C)C)CCC1)c1cccc(C#N)c1 ZINC000763056666 645497210 /nfs/dbraw/zinc/49/72/10/645497210.db2.gz LTZDQICJYGOWDO-LBPRGKRZSA-N 0 3 271.364 2.220 20 30 CEEDHN C#CCC1(NCC(=C)Br)CCOCC1 ZINC000887124625 645516985 /nfs/dbraw/zinc/51/69/85/645516985.db2.gz MGONIOAPPHYXNX-UHFFFAOYSA-N 0 3 258.159 2.057 20 30 CEEDHN C#CCN(CCCOc1ccc(C#N)cc1)C1CC1 ZINC000763955235 645594329 /nfs/dbraw/zinc/59/43/29/645594329.db2.gz KSMHLZKKKMNQRF-UHFFFAOYSA-N 0 3 254.333 2.425 20 30 CEEDHN CCOC(=O)C(F)(F)[C@@H]1CC[C@@H](NC[C@@H](C)C#N)C1 ZINC000764671133 645673074 /nfs/dbraw/zinc/67/30/74/645673074.db2.gz ICFATULCUITOEB-HBNTYKKESA-N 0 3 274.311 2.103 20 30 CEEDHN CCO[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1)C1CC1 ZINC000860469668 645800425 /nfs/dbraw/zinc/80/04/25/645800425.db2.gz JXUQUXGELPGQKD-DZGCQCFKSA-N 0 3 286.331 2.149 20 30 CEEDHN CCCCCCCNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000861654984 646239969 /nfs/dbraw/zinc/23/99/69/646239969.db2.gz AJZVLNZXGJBUBE-CHWSQXEVSA-N 0 3 255.406 2.349 20 30 CEEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C=CSC ZINC000771577697 646533791 /nfs/dbraw/zinc/53/37/91/646533791.db2.gz FHNBPKMPXWDITR-JARNTUPDSA-N 0 3 290.344 2.219 20 30 CEEDHN CCCCCCCCCCN1CC[C@@H](S(N)(=O)=O)C1 ZINC000772224053 646607515 /nfs/dbraw/zinc/60/75/15/646607515.db2.gz YQEVALIFEVYORM-CQSZACIVSA-N 0 3 290.473 2.490 20 30 CEEDHN C#CCOc1ccc(CN2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000775984889 647013720 /nfs/dbraw/zinc/01/37/20/647013720.db2.gz HRTKRFUKQIOCPF-LSDHHAIUSA-N 0 3 272.392 2.223 20 30 CEEDHN C=CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776605585 647078640 /nfs/dbraw/zinc/07/86/40/647078640.db2.gz NJKWHBIMZCZGFH-AWEZNQCLSA-N 0 3 262.309 2.279 20 30 CEEDHN C[C@@H](CNC(=O)c1coc(C#N)c1)N1CCCC[C@H]1C ZINC000864871576 647124425 /nfs/dbraw/zinc/12/44/25/647124425.db2.gz HQSSMJCKKDMRAZ-NEPJUHHUSA-N 0 3 275.352 2.144 20 30 CEEDHN Cc1ccc([C@H](CNC(=O)c2coc(C#N)c2)N(C)C)cc1 ZINC000865028151 647159125 /nfs/dbraw/zinc/15/91/25/647159125.db2.gz DRDRJYFBYRUBSJ-INIZCTEOSA-N 0 3 297.358 2.492 20 30 CEEDHN C#CCOc1cccc(Cl)c1CNCCCOC ZINC000778152546 647205270 /nfs/dbraw/zinc/20/52/70/647205270.db2.gz WUTBJCJFSNEQPC-UHFFFAOYSA-N 0 3 267.756 2.478 20 30 CEEDHN Cc1ccccc1C(=NNC1=NC[C@@H](C)N1)C1CC1 ZINC000779792191 647353437 /nfs/dbraw/zinc/35/34/37/647353437.db2.gz PSGFLZPAXSYEIP-LLVKDONJSA-N 0 3 256.353 2.046 20 30 CEEDHN C[C@@H]1CN=C(NN=C2CC(C)(C)c3ccccc32)N1 ZINC000779801803 647357194 /nfs/dbraw/zinc/35/71/94/647357194.db2.gz XWBJJBUEZKTPPM-SNVBAGLBSA-N 0 3 256.353 2.009 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1ccncc1 ZINC000779808802 647359154 /nfs/dbraw/zinc/35/91/54/647359154.db2.gz ANONPUIDVYUSBJ-CQSZACIVSA-N 0 3 280.375 2.423 20 30 CEEDHN C=CCCCCCNCc1cn(C[C@H]2CCCO2)nn1 ZINC000865617857 647390575 /nfs/dbraw/zinc/39/05/75/647390575.db2.gz RSOLSXHRCJIZBA-OAHLLOKOSA-N 0 3 278.400 2.293 20 30 CEEDHN C#CC[C@H](COC)NCc1cc(F)cc(OCC)c1 ZINC000865646588 647405037 /nfs/dbraw/zinc/40/50/37/647405037.db2.gz WPXGQQFIERJGHK-CQSZACIVSA-N 0 3 265.328 2.352 20 30 CEEDHN COc1ccc(N=NC2C[C@@H](C)N(C3CC3)C2)nc1 ZINC000780269614 647409443 /nfs/dbraw/zinc/40/94/43/647409443.db2.gz SXZCSSSMYBJADW-SNVBAGLBSA-N 0 3 260.341 2.115 20 30 CEEDHN N#CCCN1CCN(C[C@@H]2CCc3ccccc32)CC1 ZINC000780301555 647415204 /nfs/dbraw/zinc/41/52/04/647415204.db2.gz MLLPJCTWJGTEIB-INIZCTEOSA-N 0 3 269.392 2.248 20 30 CEEDHN CC[C@@H](C#N)OC(=O)C(C)(C)N(C)C1CCCC1 ZINC000781201825 647507879 /nfs/dbraw/zinc/50/78/79/647507879.db2.gz IXZRCSGFQOPXDW-LBPRGKRZSA-N 0 3 252.358 2.485 20 30 CEEDHN C#CCCCCCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000780937242 647482212 /nfs/dbraw/zinc/48/22/12/647482212.db2.gz DVXIQTPGFVPWKD-OAHLLOKOSA-N 0 3 262.397 2.123 20 30 CEEDHN Cc1ccc([O-])c(C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000865848212 647492379 /nfs/dbraw/zinc/49/23/79/647492379.db2.gz LEOTVYBZXWAUMV-HNNXBMFYSA-N 0 3 279.343 2.224 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H](CC)c1cccs1 ZINC000783530502 647725662 /nfs/dbraw/zinc/72/56/62/647725662.db2.gz AGULLICSLIOIQT-LLVKDONJSA-N 0 3 273.423 2.390 20 30 CEEDHN CN(C)c1ccc(C=NNCCC(=O)OC(C)(C)C)cc1 ZINC000783864946 647772995 /nfs/dbraw/zinc/77/29/95/647772995.db2.gz ZMQFMLYSESHJJY-UHFFFAOYSA-N 0 3 291.395 2.408 20 30 CEEDHN C[C@H](CC#N)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000783938793 647779119 /nfs/dbraw/zinc/77/91/19/647779119.db2.gz YQXCJKBWUBKMQI-NEPJUHHUSA-N 0 3 267.373 2.135 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2sccc2CC#N)C1 ZINC000868808717 648272691 /nfs/dbraw/zinc/27/26/91/648272691.db2.gz DEQXMLHKRZNURD-CYBMUJFWSA-N 0 3 291.420 2.369 20 30 CEEDHN C#CCCCC(=O)Nc1ccc(CN(C)C)cc1OC ZINC000868817303 648276971 /nfs/dbraw/zinc/27/69/71/648276971.db2.gz YBJPIHZKVVGYFK-UHFFFAOYSA-N 0 3 274.364 2.499 20 30 CEEDHN CC[C@@H]1CN(C(=O)c2ccc3c(C#N)c[nH]c3c2)C[C@H](C)N1 ZINC000869311089 648409686 /nfs/dbraw/zinc/40/96/86/648409686.db2.gz PCUZRWSIOGMEBY-SMDDNHRTSA-N 0 3 296.374 2.252 20 30 CEEDHN C#C[C@@H](NCc1ccc(-n2ccnc2)cc1C)[C@@H]1CCCO1 ZINC000792287988 648635288 /nfs/dbraw/zinc/63/52/88/648635288.db2.gz XZPJJHSTXUHNDG-MSOLQXFVSA-N 0 3 295.386 2.451 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000870135427 648711129 /nfs/dbraw/zinc/71/11/29/648711129.db2.gz ZGGWHTYKPRIZFT-XJFOESAGSA-N 0 3 294.395 2.205 20 30 CEEDHN CCCCCCN(C)CC(=O)N[C@]1(C#N)CC1(C)C ZINC000794146402 648831388 /nfs/dbraw/zinc/83/13/88/648831388.db2.gz FYQASDANVGCGID-HNNXBMFYSA-N 0 3 265.401 2.307 20 30 CEEDHN CCCCCCN(C)CC(=O)N[C@@]1(C#N)CC1(C)C ZINC000794146403 648831591 /nfs/dbraw/zinc/83/15/91/648831591.db2.gz FYQASDANVGCGID-OAHLLOKOSA-N 0 3 265.401 2.307 20 30 CEEDHN C#CCNC(=O)CN(C(C)C)[C@@H](C)c1ccccc1 ZINC000794682956 648902712 /nfs/dbraw/zinc/90/27/12/648902712.db2.gz DSYNAAKBOQSYSA-AWEZNQCLSA-N 0 3 258.365 2.207 20 30 CEEDHN C=C[C@H](CO)N[C@@H](COC(C)C)Cc1ccc(F)cc1 ZINC000872088469 649269725 /nfs/dbraw/zinc/26/97/25/649269725.db2.gz OYEHMQQFNNDCQR-HZPDHXFCSA-N 0 3 281.371 2.298 20 30 CEEDHN C[C@@H]1C(N=Nc2ncnc3sccc32)CCN1C ZINC000872338456 649360069 /nfs/dbraw/zinc/36/00/69/649360069.db2.gz QAVQGICMPDEJCX-MRVPVSSYSA-N 0 3 261.354 2.183 20 30 CEEDHN CCOc1cccc(F)c1CNC1CCN(CC#N)CC1 ZINC000873047817 649542901 /nfs/dbraw/zinc/54/29/01/649542901.db2.gz DSXOLDRSYBLODX-UHFFFAOYSA-N 0 3 291.370 2.302 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874826330 649842978 /nfs/dbraw/zinc/84/29/78/649842978.db2.gz VNXZHMQNOYAYST-QWHCGFSZSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)CCC1 ZINC000874830198 649844322 /nfs/dbraw/zinc/84/43/22/649844322.db2.gz QNESNYPNNXAWGA-KBPBESRZSA-N 0 3 262.397 2.428 20 30 CEEDHN C#C[C@@H](NC[C@@H](O)CCCCCC)[C@H]1CCCO1 ZINC000878454181 651100827 /nfs/dbraw/zinc/10/08/27/651100827.db2.gz VBDUSLQGVNYYHN-RRFJBIMHSA-N 0 3 253.386 2.088 20 30 CEEDHN C#CCCCCCN1CCN(c2ccc(OC)cn2)CC1 ZINC000878692261 651165720 /nfs/dbraw/zinc/16/57/20/651165720.db2.gz YBBMEKIRDIPEJZ-UHFFFAOYSA-N 0 3 287.407 2.406 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)co2)CC1 ZINC000878750885 651179045 /nfs/dbraw/zinc/17/90/45/651179045.db2.gz OKFLLUFYYCORDY-UHFFFAOYSA-N 0 3 262.353 2.358 20 30 CEEDHN C=CCCCN1Cc2cccnc2N2C[C@@H](OC)C[C@@H]2C1 ZINC000879274264 651274505 /nfs/dbraw/zinc/27/45/05/651274505.db2.gz XVJATTMYHBJSBG-CVEARBPZSA-N 0 3 287.407 2.457 20 30 CEEDHN COc1ncc(CN(C)CCc2cccc(C#N)c2)c(C)n1 ZINC000879432948 651303106 /nfs/dbraw/zinc/30/31/06/651303106.db2.gz LSOLYPXPUHJIOG-UHFFFAOYSA-N 0 3 296.374 2.340 20 30 CEEDHN C#CCCCN1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879462292 651306755 /nfs/dbraw/zinc/30/67/55/651306755.db2.gz NLXPGUZDVNBRRI-UHFFFAOYSA-N 0 3 288.391 2.239 20 30 CEEDHN C=CC(C)(C)CC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000879800918 651353763 /nfs/dbraw/zinc/35/37/63/651353763.db2.gz XMEHOFGTVARDAN-CQSZACIVSA-N 0 3 294.439 2.300 20 30 CEEDHN C=C(C)[C@@H](CO)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000879995779 651371130 /nfs/dbraw/zinc/37/11/30/651371130.db2.gz IFTAALQOMMYJLO-LSDHHAIUSA-N 0 3 265.328 2.216 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@]1(C)c1ccccc1 ZINC000880370950 651430872 /nfs/dbraw/zinc/43/08/72/651430872.db2.gz XKQHJLSUJNRPRQ-MRXNPFEDSA-N 0 3 258.365 2.300 20 30 CEEDHN N#Cc1ccc(NC(=O)CN[C@@H]2CCC[C@]23CCCO3)cc1 ZINC000880506239 651452007 /nfs/dbraw/zinc/45/20/07/651452007.db2.gz ICARTSQDFBBUKT-WBVHZDCISA-N 0 3 299.374 2.188 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccccc1OCc1ccccn1 ZINC000883123001 652368906 /nfs/dbraw/zinc/36/89/06/652368906.db2.gz IDYLSVUFFKQXHB-INIZCTEOSA-N 0 3 296.370 2.134 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000883123871 652369265 /nfs/dbraw/zinc/36/92/65/652369265.db2.gz NPTGVBDYPVNMAJ-HIFRSBDPSA-N 0 3 291.391 2.346 20 30 CEEDHN C#CC[C@H](CO)NCc1cnc(-c2cccs2)s1 ZINC000883123823 652369437 /nfs/dbraw/zinc/36/94/37/652369437.db2.gz LZEHJIPJVAKLIJ-SNVBAGLBSA-N 0 3 278.402 2.345 20 30 CEEDHN C=C[C@H](CO)NCc1c(C)cc(C)c(COC)c1C ZINC000883182067 652392147 /nfs/dbraw/zinc/39/21/47/652392147.db2.gz QTUZJGSBHRNXDR-CQSZACIVSA-N 0 3 263.381 2.395 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cnc(C2CC2)s1 ZINC000883400176 652456640 /nfs/dbraw/zinc/45/66/40/652456640.db2.gz GHUCHCVYIJRYOZ-LLVKDONJSA-N 0 3 252.383 2.437 20 30 CEEDHN Cc1ccccc1[C@@H](C)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884055052 652669166 /nfs/dbraw/zinc/66/91/66/652669166.db2.gz AKZQYRAIIAOOFJ-GBRKPNRJSA-N 0 3 297.402 2.312 20 30 CEEDHN CC[C@H](C)C[C@@H](C)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884142107 652725802 /nfs/dbraw/zinc/72/58/02/652725802.db2.gz RHMRUTSXGQSJNF-FRKJVESJSA-N 0 3 277.412 2.067 20 30 CEEDHN C[C@H]1CC(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)C[C@H](C)C1 ZINC000884142732 652726666 /nfs/dbraw/zinc/72/66/66/652726666.db2.gz JNHXFMTYMUHHGO-YAOSRSEKSA-N 0 3 289.423 2.067 20 30 CEEDHN CC(C)(NC(=O)[C@H](N)CC1CC1)c1cccc(C#N)c1 ZINC000884400138 652835118 /nfs/dbraw/zinc/83/51/18/652835118.db2.gz XQSHDQYGKSDWHZ-CQSZACIVSA-N 0 3 271.364 2.037 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884454161 652858929 /nfs/dbraw/zinc/85/89/29/652858929.db2.gz HIQAFWLJKPEEEM-UUCFBXCCSA-N 0 3 289.423 2.234 20 30 CEEDHN CC[C@@H](F)C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001271067731 805731850 /nfs/dbraw/zinc/73/18/50/805731850.db2.gz JXFQOSJGSYFAKB-GDBMZVCRSA-N 0 3 290.382 2.223 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C2(C)CCC2)[C@H]1CC ZINC001087688352 805773876 /nfs/dbraw/zinc/77/38/76/805773876.db2.gz DYANFCMSSUEJQO-QWHCGFSZSA-N 0 3 250.386 2.332 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC001040046510 805826731 /nfs/dbraw/zinc/82/67/31/805826731.db2.gz PZHBBXHAMHRKQN-SFHVURJKSA-N 0 3 282.387 2.248 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3occc3C)C[C@@H]2C1 ZINC001087885155 805839201 /nfs/dbraw/zinc/83/92/01/805839201.db2.gz AQBQQPVAKUPHME-CABCVRRESA-N 0 3 286.375 2.005 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC ZINC001029511529 805900055 /nfs/dbraw/zinc/90/00/55/805900055.db2.gz OSLGNAIFXYLHPX-FZKCQIBNSA-N 0 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ZINC001267297091 803341109 /nfs/dbraw/zinc/34/11/09/803341109.db2.gz ARHFASHAKBCLAO-MAUKXSAKSA-N 0 3 296.414 2.252 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)Cc2cc(C)ccc2C)C1 ZINC001267303286 803346530 /nfs/dbraw/zinc/34/65/30/803346530.db2.gz YJGRSYBILJPKKT-KRWDZBQOSA-N 0 3 298.430 2.307 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001267319237 803363756 /nfs/dbraw/zinc/36/37/56/803363756.db2.gz ZEAIKNXCQXBRLQ-JKSUJKDBSA-N 0 3 276.424 2.274 20 30 CEEDHN C=CCN(CCNC(=O)[C@@]1(C)CC=CCC1)C1CC1 ZINC001267326825 803370930 /nfs/dbraw/zinc/37/09/30/803370930.db2.gz XUZAVFNYGTYGKO-INIZCTEOSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCN(CCNC(=O)c1ccn2cc(C)nc2c1)C1CC1 ZINC001267332546 803376843 /nfs/dbraw/zinc/37/68/43/803376843.db2.gz FIJWLTWOWQXCQJ-UHFFFAOYSA-N 0 3 298.390 2.023 20 30 CEEDHN C#CCNCCN(C)C(=O)c1cccc(Cl)c1Cl ZINC001267460367 803478624 /nfs/dbraw/zinc/47/86/24/803478624.db2.gz KJVPLAQYIVGKKP-UHFFFAOYSA-N 0 3 285.174 2.288 20 30 CEEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)C3CCC3)C(C)(C)[C@H]21 ZINC001087266439 803486368 /nfs/dbraw/zinc/48/63/68/803486368.db2.gz LJYINHOWBCKUIU-ILXRZTDVSA-N 0 3 274.408 2.025 20 30 CEEDHN CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC1 ZINC001087266861 803486585 /nfs/dbraw/zinc/48/65/85/803486585.db2.gz REYLBDDUMNRGAP-QLFBSQMISA-N 0 3 274.408 2.025 20 30 CEEDHN C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC[C@@H]1CNCCO1 ZINC001217896962 803490942 /nfs/dbraw/zinc/49/09/42/803490942.db2.gz MNGZFBQDPFRHAW-QPSCCSFWSA-N 0 3 253.386 2.372 20 30 CEEDHN CC#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccc[nH]3)C(C)(C)[C@H]21 ZINC001087272237 803495504 /nfs/dbraw/zinc/49/55/04/803495504.db2.gz DOFMSHNFCJUNBT-KBMXLJTQSA-N 0 3 299.418 2.257 20 30 CEEDHN C=CCN[C@H](CNC(=O)c1cnn(CC)c1)c1ccccc1 ZINC001267517085 803521530 /nfs/dbraw/zinc/52/15/30/803521530.db2.gz MDMSLCPDDFNSAG-MRXNPFEDSA-N 0 3 298.390 2.150 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@@H](NCCCO)c1ccccc1 ZINC001267521465 803524099 /nfs/dbraw/zinc/52/40/99/803524099.db2.gz 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803630199 /nfs/dbraw/zinc/63/01/99/803630199.db2.gz IBWXZUOEIUFGKT-AWEZNQCLSA-N 0 3 288.391 2.362 20 30 CEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCCO1 ZINC001267701940 803665970 /nfs/dbraw/zinc/66/59/70/803665970.db2.gz BRXLYGWGLFSGMO-JYJNAYRXSA-N 0 3 292.423 2.197 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)Cc2ccccc2)C1 ZINC001267787436 803733975 /nfs/dbraw/zinc/73/39/75/803733975.db2.gz CEVSKTNOLMQIHM-KRWDZBQOSA-N 0 3 284.403 2.175 20 30 CEEDHN C=CCCC(=O)N[C@H]1CC[C@H](NCc2cnc(C)o2)CC1 ZINC001267923356 803822530 /nfs/dbraw/zinc/82/25/30/803822530.db2.gz SGBFABUEFFVIFE-HDJSIYSDSA-N 0 3 291.395 2.466 20 30 CEEDHN C[C@@H](CC(C)(C)C#N)NCC(=O)NCc1ccccc1 ZINC000695861102 803829869 /nfs/dbraw/zinc/82/98/69/803829869.db2.gz YHUDZSDXUWVFMV-ZDUSSCGKSA-N 0 3 273.380 2.221 20 30 CEEDHN C#CCCCCC(=O)NCCNCc1ccc(F)cc1 ZINC001125935146 803843055 /nfs/dbraw/zinc/84/30/55/803843055.db2.gz STUMBHADIQIWSJ-UHFFFAOYSA-N 0 3 276.355 2.225 20 30 CEEDHN C=C(C)CCC(=O)NC[C@@H](C)CNCc1oc(C)nc1C ZINC001267987392 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CEEDHN C=CCN(C)C[C@@H](C)NC(=O)Cc1ccc2cccnc2c1 ZINC001268735474 804953288 /nfs/dbraw/zinc/95/32/88/804953288.db2.gz MJQCULPASMOZFC-CQSZACIVSA-N 0 3 297.402 2.400 20 30 CEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cccc2c1O[C@H](C)C2 ZINC001268740175 804953810 /nfs/dbraw/zinc/95/38/10/804953810.db2.gz RZTAGAIFKDBATN-CHWSQXEVSA-N 0 3 288.391 2.246 20 30 CEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)COC(C)(C)C ZINC001268935113 805007829 /nfs/dbraw/zinc/00/78/29/805007829.db2.gz PNVLXFRZHXJBCB-KBPBESRZSA-N 0 3 280.412 2.053 20 30 CEEDHN C#CCCCC(=O)N[C@H](CNCc1ncccc1C)C1CC1 ZINC001269066286 805040033 /nfs/dbraw/zinc/04/00/33/805040033.db2.gz CAEPXFMTJHSSHO-QGZVFWFLSA-N 0 3 299.418 2.178 20 30 CEEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001269321203 805129742 /nfs/dbraw/zinc/12/97/42/805129742.db2.gz QKJFMWMEMVSSQS-SOUVJXGZSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cn(CC)cn1 ZINC001269331603 805131809 /nfs/dbraw/zinc/13/18/09/805131809.db2.gz KRWGFJKXYDFXMQ-KGLIPLIRSA-N 0 3 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C#CCCN1CCCC[C@H](NC(=O)c2cncc(CC)c2)C1 ZINC001034310217 809574989 /nfs/dbraw/zinc/57/49/89/809574989.db2.gz UQFMLXLAHQMQDL-KRWDZBQOSA-N 0 3 299.418 2.252 20 30 CEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2occc2CC)C1 ZINC001034384729 809595277 /nfs/dbraw/zinc/59/52/77/809595277.db2.gz MQMLPCJGJYUEMX-OAHLLOKOSA-N 0 3 288.391 2.450 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001034384987 809595595 /nfs/dbraw/zinc/59/55/95/809595595.db2.gz NVOMRGLRLSWSNY-AWEZNQCLSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2c[nH]cc2C)C1 ZINC001034528966 809624839 /nfs/dbraw/zinc/62/48/39/809624839.db2.gz VQVNTKQGSIJNPF-CYBMUJFWSA-N 0 3 261.369 2.093 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)C1C=CC=CC=C1)CC2 ZINC001035715980 809806501 /nfs/dbraw/zinc/80/65/01/809806501.db2.gz SBRFVDODGZIBFT-UHFFFAOYSA-N 0 3 296.414 2.233 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)C1(C3CC3)CC1)CC2 ZINC001035728986 809808962 /nfs/dbraw/zinc/80/89/62/809808962.db2.gz SKFWUXSZGRAZNT-UHFFFAOYSA-N 0 3 286.419 2.124 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1C[C@]1(C)CC)CC2 ZINC001035828719 809822110 /nfs/dbraw/zinc/82/21/10/809822110.db2.gz SZRGFUDBWGQZJB-WBVHZDCISA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001035929465 809838227 /nfs/dbraw/zinc/83/82/27/809838227.db2.gz OFONVPGGUOECKY-DZGCQCFKSA-N 0 3 288.391 2.409 20 30 CEEDHN CC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1ccc(C#N)s1 ZINC001036478301 809907745 /nfs/dbraw/zinc/90/77/45/809907745.db2.gz AEVNSFYOCOYVLL-ABAIWWIYSA-N 0 3 291.420 2.356 20 30 CEEDHN N#CCCN(C1CCCC1)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172174824 815329607 /nfs/dbraw/zinc/32/96/07/815329607.db2.gz BDSFJMGHPJDMCC-LSDHHAIUSA-N 0 3 275.396 2.298 20 30 CEEDHN CCC(=O)N1CC[C@H]2[C@@H](CCN2CC#Cc2ccccc2)C1 ZINC001036608253 809963404 /nfs/dbraw/zinc/96/34/04/809963404.db2.gz IFOYWCNNAYRIQZ-ROUUACIJSA-N 0 3 296.414 2.371 20 30 CEEDHN CCCCN(CCC#N)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172179040 815331375 /nfs/dbraw/zinc/33/13/75/815331375.db2.gz QJVGFLVYEUCFCL-KBPBESRZSA-N 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C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CC34CCCC4)[C@@H]2C1 ZINC001084758040 810513653 /nfs/dbraw/zinc/51/36/53/810513653.db2.gz ATFHNKJRBFCBSZ-OWCLPIDISA-N 0 3 286.419 2.123 20 30 CEEDHN CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)C1 ZINC001017541650 810531577 /nfs/dbraw/zinc/53/15/77/810531577.db2.gz CPZCRPQDJIJEBN-BWPPORJPSA-N 0 3 286.419 2.121 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](OC)C1 ZINC001017690657 810543243 /nfs/dbraw/zinc/54/32/43/810543243.db2.gz OUHSYZGHXUOKAY-CAOSSQGBSA-N 0 3 292.423 2.053 20 30 CEEDHN C#CCN1CC[C@@H]2CCN(C(=O)C[C@H]3CC=CCC3)C[C@@H]21 ZINC001085007630 810564817 /nfs/dbraw/zinc/56/48/17/810564817.db2.gz SIZVBHSFOBAQQB-BBWFWOEESA-N 0 3 286.419 2.289 20 30 CEEDHN CC[C@H](C)C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001018530625 810630664 /nfs/dbraw/zinc/63/06/64/810630664.db2.gz PCHBGGHVWCROEY-RYUDHWBXSA-N 0 3 291.420 2.356 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc3ccccc3s2)C1 ZINC001019103251 810677798 /nfs/dbraw/zinc/67/77/98/810677798.db2.gz DWICMELOYFEXJJ-ZDUSSCGKSA-N 0 3 284.384 2.339 20 30 CEEDHN CCCCCCCNC(=O)c1cc2n(n1)CCC[C@@H]2N ZINC001122160930 815388826 /nfs/dbraw/zinc/38/88/26/815388826.db2.gz CBLFNHZERFUTJW-LBPRGKRZSA-N 0 3 278.400 2.377 20 30 CEEDHN C=CCn1ncc2ccc(NC(=O)[C@H](N)C(C)C)cc21 ZINC001122226821 815394432 /nfs/dbraw/zinc/39/44/32/815394432.db2.gz LCCFSWCSICWIGU-CQSZACIVSA-N 0 3 272.352 2.144 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cccc(C)c2Cl)C1 ZINC001019534866 810719206 /nfs/dbraw/zinc/71/92/06/810719206.db2.gz UKYMCXXOZLWELH-LBPRGKRZSA-N 0 3 276.767 2.086 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@H](F)CC2CCCCC2)C1 ZINC001019658151 810726688 /nfs/dbraw/zinc/72/66/88/810726688.db2.gz LNNJQYOBBGTXTM-LSDHHAIUSA-N 0 3 280.387 2.119 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2csc3c2CCCC3)C1 ZINC001019747731 810736727 /nfs/dbraw/zinc/73/67/27/810736727.db2.gz HDPNEIZXKHPOQJ-LBPRGKRZSA-N 0 3 288.416 2.064 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1nocc1C ZINC001085385927 810737120 /nfs/dbraw/zinc/73/71/20/810737120.db2.gz YXFSTBRQYZRIRU-VXGBXAGGSA-N 0 3 297.786 2.366 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)CC(C)(C)c2ccccc2)C1 ZINC001019823175 810743142 /nfs/dbraw/zinc/74/31/42/810743142.db2.gz BCDSIBQTEIOLPG-INIZCTEOSA-N 0 3 284.403 2.178 20 30 CEEDHN CC#CCNC[C@@H]1CN(C(=O)CCCCC(C)C)CCO1 ZINC001273330589 810745493 /nfs/dbraw/zinc/74/54/93/810745493.db2.gz DGKVSZMUQYTFPD-MRXNPFEDSA-N 0 3 294.439 2.043 20 30 CEEDHN C=CCN1CCN([C@H](C)CCO[C@H](C)CC)CC1 ZINC001172340293 815395927 /nfs/dbraw/zinc/39/59/27/815395927.db2.gz JKSGJWZPTIIGNP-HUUCEWRRSA-N 0 3 254.418 2.384 20 30 CEEDHN CN(C)C1(C(=O)N(C)Cc2ccc(C#N)cc2)CCC1 ZINC000119565839 810779718 /nfs/dbraw/zinc/77/97/18/810779718.db2.gz WNSFOZMAANITJB-UHFFFAOYSA-N 0 3 271.364 2.001 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2ccccc2)C1 ZINC001020303155 810787785 /nfs/dbraw/zinc/78/77/85/810787785.db2.gz ISLNYYGNYSRZBV-HDJSIYSDSA-N 0 3 278.783 2.218 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ncoc1C ZINC001085508933 810797310 /nfs/dbraw/zinc/79/73/10/810797310.db2.gz LHZJWLGLIJYXOA-ZDUSSCGKSA-N 0 3 277.368 2.096 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ncoc1CC ZINC001085525289 810806306 /nfs/dbraw/zinc/80/63/06/810806306.db2.gz FTDPSLMYCFVSSP-ZDUSSCGKSA-N 0 3 291.395 2.350 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ncccc1CC ZINC001038434130 810839327 /nfs/dbraw/zinc/83/93/27/810839327.db2.gz HWXSMBWOOCZJAN-OAHLLOKOSA-N 0 3 287.407 2.414 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c[nH]nc1C(C)C ZINC001038447021 810843003 /nfs/dbraw/zinc/84/30/03/810843003.db2.gz CVZOSOQECKFJMW-ZDUSSCGKSA-N 0 3 290.411 2.303 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1OCC[C@H]1C(C)C ZINC001085600896 810848152 /nfs/dbraw/zinc/84/81/52/810848152.db2.gz GVTFGNCXKDKOTQ-JYJNAYRXSA-N 0 3 294.439 2.156 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1nncc2ccccc21 ZINC001038502904 810852077 /nfs/dbraw/zinc/85/20/77/810852077.db2.gz CZLVQXHIGRITAW-CQSZACIVSA-N 0 3 296.374 2.010 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2cc[nH]c2n1 ZINC001085655940 810865468 /nfs/dbraw/zinc/86/54/68/810865468.db2.gz CHKQMPKROUYATR-CQSZACIVSA-N 0 3 298.390 2.285 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cocc1C ZINC001038602688 810871448 /nfs/dbraw/zinc/87/14/48/810871448.db2.gz BFHDRMQWNZREJV-ZDUSSCGKSA-N 0 3 262.353 2.358 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001038618539 810874130 /nfs/dbraw/zinc/87/41/30/810874130.db2.gz FAPBUTYWLIGNOM-CBBWQLFWSA-N 0 3 262.397 2.189 20 30 CEEDHN CC[C@@H](CC(C)C)N1CCN(c2nccnc2C#N)CC1 ZINC001172407038 815408103 /nfs/dbraw/zinc/40/81/03/815408103.db2.gz MLPYLPAGHFGLSM-AWEZNQCLSA-N 0 3 287.411 2.295 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnoc1CC ZINC001085851034 810941831 /nfs/dbraw/zinc/94/18/31/810941831.db2.gz LTAJGUQHKCKZJB-CYBMUJFWSA-N 0 3 291.395 2.350 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cn2ccccc2n1 ZINC001085958969 810982969 /nfs/dbraw/zinc/98/29/69/810982969.db2.gz OYMRQKGSRQTRHE-CQSZACIVSA-N 0 3 298.390 2.057 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCOC1 ZINC001039346218 811014324 /nfs/dbraw/zinc/01/43/24/811014324.db2.gz JZBYKZVJVDVAIJ-OAGGEKHMSA-N 0 3 292.423 2.054 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001039373091 811018997 /nfs/dbraw/zinc/01/89/97/811018997.db2.gz DIBNFYGOPJYABX-CVEARBPZSA-N 0 3 272.392 2.041 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C=C ZINC001039417522 811025907 /nfs/dbraw/zinc/02/59/07/811025907.db2.gz JHECUARROAMGQX-CABCVRRESA-N 0 3 274.408 2.287 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cocc2C)C1 ZINC001086169436 811051181 /nfs/dbraw/zinc/05/11/81/811051181.db2.gz JIUIXMVBYITASV-TXEJJXNPSA-N 0 3 282.771 2.439 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001086308228 811099226 /nfs/dbraw/zinc/09/92/26/811099226.db2.gz MTCKOWCFAKDMEU-JOCQHMNTSA-N 0 3 295.814 2.184 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C(C)(C)C(F)F)C2)C1 ZINC001040384393 811109554 /nfs/dbraw/zinc/10/95/54/811109554.db2.gz MWJSBIIAKALHOE-INIZCTEOSA-N 0 3 298.377 2.225 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC001041409828 811163762 /nfs/dbraw/zinc/16/37/62/811163762.db2.gz SFYXMSMUUDLCBM-WMLDXEAASA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)C3(CC)CCC3)C2)C1 ZINC001041563063 811176182 /nfs/dbraw/zinc/17/61/82/811176182.db2.gz GCOQSMVOJNEOQV-MRXNPFEDSA-N 0 3 274.408 2.124 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)C1 ZINC001041651041 811184218 /nfs/dbraw/zinc/18/42/18/811184218.db2.gz BDXFYTJZYBHLFP-JFIYKMOQSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H](C)C(C)(F)F)C2)C1 ZINC001041687024 811186665 /nfs/dbraw/zinc/18/66/65/811186665.db2.gz PMZKLMPJHCEFQX-CZUORRHYSA-N 0 3 298.377 2.225 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3cc(C)[nH]c3C)C2)C1 ZINC001041713350 811189269 /nfs/dbraw/zinc/18/92/69/811189269.db2.gz HVTSBZLAICBBNR-SFHVURJKSA-N 0 3 299.418 2.193 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@@H](C)c3ccccc3)C2)C1 ZINC001041792124 811192854 /nfs/dbraw/zinc/19/28/54/811192854.db2.gz HFQBUPDFRLIUSD-QFBILLFUSA-N 0 3 296.414 2.348 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)C[C@@H](C)C3CC3)C2)C1 ZINC001041849183 811197851 /nfs/dbraw/zinc/19/78/51/811197851.db2.gz RYLQMHMCORDJTF-QAPCUYQASA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)CC3CCC3)C[C@@H]21 ZINC001041998742 811230661 /nfs/dbraw/zinc/23/06/61/811230661.db2.gz XVZMTUJRGLDFIR-HOTGVXAUSA-N 0 3 274.408 2.123 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ncccc3CC)C[C@H]21 ZINC001042125487 811247329 /nfs/dbraw/zinc/24/73/29/811247329.db2.gz UWJKWOKRPZMBIL-HZPDHXFCSA-N 0 3 299.418 2.366 20 30 CEEDHN C#CCN1CC[C@@H]2CCN(C(=O)Cc3ccccc3C)C[C@@H]21 ZINC001042346405 811270238 /nfs/dbraw/zinc/27/02/38/811270238.db2.gz UBOYXFHGCTZASC-AEFFLSMTSA-N 0 3 296.414 2.094 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1=CCOCC1)C2 ZINC001095968453 811433976 /nfs/dbraw/zinc/43/39/76/811433976.db2.gz YWPJTZHDTZCIOT-PMPSAXMXSA-N 0 3 290.407 2.021 20 30 CEEDHN CC(C)(C(=O)C(C#N)c1ccncn1)C(F)(F)F ZINC001122831070 815447989 /nfs/dbraw/zinc/44/79/89/815447989.db2.gz PDGJTKRXKVECLA-ZETCQYMHSA-N 0 3 257.215 2.241 20 30 CEEDHN C[C@H](N)c1ccn(-c2ccc(C#N)c(C(F)(F)F)n2)n1 ZINC001169227865 811440940 /nfs/dbraw/zinc/44/09/40/811440940.db2.gz GQONSNSXTKNVNJ-ZETCQYMHSA-N 0 3 281.241 2.177 20 30 CEEDHN CCOC(=O)C1(N[C@@H](C)CCCC#N)CCN(CC)CC1 ZINC001172489647 815450509 /nfs/dbraw/zinc/45/05/09/815450509.db2.gz XOARKLPNHWDDRF-AWEZNQCLSA-N 0 3 295.427 2.076 20 30 CEEDHN C=CC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1[O-] ZINC001169288834 811473579 /nfs/dbraw/zinc/47/35/79/811473579.db2.gz GVXYBEHCKYVEHX-ZDUSSCGKSA-N 0 3 276.380 2.456 20 30 CEEDHN COC(=O)C[C@@H](N[C@H](C)CCCC#N)c1ccccn1 ZINC001172489634 815450957 /nfs/dbraw/zinc/45/09/57/815450957.db2.gz XEMFAKLWUIATTO-TZMCWYRMSA-N 0 3 275.352 2.358 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)C1(CC)CCOCC1 ZINC001169489803 811550054 /nfs/dbraw/zinc/55/00/54/811550054.db2.gz WENXGLJKIKARIJ-UHFFFAOYSA-N 0 3 288.819 2.042 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2ccc(C)n2C)CC1 ZINC001045364584 811602016 /nfs/dbraw/zinc/60/20/16/811602016.db2.gz LHUMKYYNEGNPDR-UHFFFAOYSA-N 0 3 275.396 2.104 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cccc3n[nH]cc32)CC1 ZINC001045520142 811620703 /nfs/dbraw/zinc/62/07/03/811620703.db2.gz RJVJKNIQNTZXKE-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2ocnc2CC)CC1 ZINC001045548971 811625961 /nfs/dbraw/zinc/62/59/61/811625961.db2.gz PALANPCBMSCVCS-UHFFFAOYSA-N 0 3 277.368 2.007 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC001045608227 811632079 /nfs/dbraw/zinc/63/20/79/811632079.db2.gz LCBAYFRCDOVWJV-ZBFHGGJFSA-N 0 3 276.424 2.417 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2CCCC[C@@H]2OC)CC1 ZINC001045651684 811636852 /nfs/dbraw/zinc/63/68/52/811636852.db2.gz VHOCCOMGAGSORL-CABCVRRESA-N 0 3 294.439 2.348 20 30 CEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](F)CC)C2 ZINC001045957809 811670554 /nfs/dbraw/zinc/67/05/54/811670554.db2.gz FXJOZLOCPZEKEX-NVXWUHKLSA-N 0 3 294.414 2.462 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1c[nH]cc1C)C2 ZINC001045982919 811671891 /nfs/dbraw/zinc/67/18/91/811671891.db2.gz HJQFETVGJUOTHX-GOSISDBHSA-N 0 3 299.418 2.275 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccoc2CC)C1 ZINC001046274700 811727528 /nfs/dbraw/zinc/72/75/28/811727528.db2.gz BUPCEUYZGYATGU-INIZCTEOSA-N 0 3 274.364 2.060 20 30 CEEDHN COC(=O)[C@H]1CCC[C@H](NCc2csc(C#N)c2)C1 ZINC001172607747 815471979 /nfs/dbraw/zinc/47/19/79/815471979.db2.gz ZYEWGSODHGLHAR-RYUDHWBXSA-N 0 3 278.377 2.441 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cccc(C(C)C)n2)C1 ZINC001046452581 811756535 /nfs/dbraw/zinc/75/65/35/811756535.db2.gz XLPBDENWMADMSZ-GOSISDBHSA-N 0 3 299.418 2.423 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(C)c(C)cn2)C1 ZINC001046502167 811763885 /nfs/dbraw/zinc/76/38/85/811763885.db2.gz HMCYGKMCSIQINX-KRWDZBQOSA-N 0 3 287.407 2.469 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001046553588 811773598 /nfs/dbraw/zinc/77/35/98/811773598.db2.gz ISNKOZWWIGPCNC-ORIJERBGSA-N 0 3 262.397 2.189 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2csc(C)n2)C1 ZINC001046571993 811777439 /nfs/dbraw/zinc/77/74/39/811777439.db2.gz PTMIQXHUSRDIJD-CQSZACIVSA-N 0 3 279.409 2.222 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccoc2C2CC2)C1 ZINC001046579756 811779709 /nfs/dbraw/zinc/77/97/09/811779709.db2.gz PHKXMNOXVWIGFT-QGZVFWFLSA-N 0 3 286.375 2.375 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2occc2CC)C1 ZINC001046595375 811781471 /nfs/dbraw/zinc/78/14/71/811781471.db2.gz GIAWRMUWKRLIOQ-INIZCTEOSA-N 0 3 274.364 2.060 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(C)[nH]c2C)C1 ZINC001046661576 811794512 /nfs/dbraw/zinc/79/45/12/811794512.db2.gz WSRNHGFSLQDLSQ-INIZCTEOSA-N 0 3 275.396 2.402 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001046690983 811799299 /nfs/dbraw/zinc/79/92/99/811799299.db2.gz YRRPOSBNDOQQOX-SQWLQELKSA-N 0 3 262.397 2.189 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001046684352 811800363 /nfs/dbraw/zinc/80/03/63/811800363.db2.gz ONCNIOQDGXSQRO-AOIWGVFYSA-N 0 3 296.414 2.394 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001046702820 811801759 /nfs/dbraw/zinc/80/17/59/811801759.db2.gz ULPFNZKLBBCNGR-KRWDZBQOSA-N 0 3 298.390 2.252 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001046697223 811801967 /nfs/dbraw/zinc/80/19/67/811801967.db2.gz CXJYLKCNKJUBFZ-ZMSDIMECSA-N 0 3 274.408 2.027 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001046702821 811802247 /nfs/dbraw/zinc/80/22/47/811802247.db2.gz ULPFNZKLBBCNGR-QGZVFWFLSA-N 0 3 298.390 2.252 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001046756694 811811133 /nfs/dbraw/zinc/81/11/33/811811133.db2.gz BGMYUAJHLNVYIH-GOSISDBHSA-N 0 3 299.418 2.111 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc(F)cc2C)C1 ZINC001046787858 811817300 /nfs/dbraw/zinc/81/73/00/811817300.db2.gz YICTWVYAGDGBFJ-KRWDZBQOSA-N 0 3 288.366 2.352 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CSC)C2 ZINC001109075814 811819843 /nfs/dbraw/zinc/81/98/43/811819843.db2.gz DENVLACAMQVKQM-CRWXNKLISA-N 0 3 282.453 2.283 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cnoc1C1CC1 ZINC001169979705 811832051 /nfs/dbraw/zinc/83/20/51/811832051.db2.gz WGFWYCBTFPPLGR-UHFFFAOYSA-N 0 3 283.759 2.014 20 30 CEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](C)OC ZINC001109343313 811863113 /nfs/dbraw/zinc/86/31/13/811863113.db2.gz SQCSJQVPSHJSIZ-KBXIAJHMSA-N 0 3 294.439 2.345 20 30 CEEDHN C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC ZINC001109355025 811865974 /nfs/dbraw/zinc/86/59/74/811865974.db2.gz HTEFCULOMDHBLF-ILXRZTDVSA-N 0 3 280.412 2.101 20 30 CEEDHN C[C@@H](NCc1ccccc1C#N)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001047672673 811893887 /nfs/dbraw/zinc/89/38/87/811893887.db2.gz QLNPGSQTDSUIPM-CXAGYDPISA-N 0 3 297.402 2.295 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(COCC)CC1)C2 ZINC001109465032 811894182 /nfs/dbraw/zinc/89/41/82/811894182.db2.gz IBTQSGKUMIDXMO-ILXRZTDVSA-N 0 3 292.423 2.101 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCC[C@H](C)O ZINC001109604366 811915082 /nfs/dbraw/zinc/91/50/82/811915082.db2.gz FYOBUVDFYJPAPU-XGUBFFRZSA-N 0 3 294.439 2.081 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cccc1)C2 ZINC001110006962 811981600 /nfs/dbraw/zinc/98/16/00/811981600.db2.gz BPHGFBSRNLKJSD-NCOADZHNSA-N 0 3 299.418 2.184 20 30 CEEDHN C=CCC[C@H](C)N1CCN(C(=O)C=C(C)C)CC1 ZINC001112600470 812013548 /nfs/dbraw/zinc/01/35/48/812013548.db2.gz ZUIYTKFQBMYADQ-AWEZNQCLSA-N 0 3 250.386 2.452 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)c3sccc3Cl)C[C@@H]2C1 ZINC001048834895 812034015 /nfs/dbraw/zinc/03/40/15/812034015.db2.gz HSTPJNXYTKKXEH-PHIMTYICSA-N 0 3 294.807 2.039 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H]3CC[C@H](C)CC3)C[C@@H]2C1 ZINC001049181770 812082568 /nfs/dbraw/zinc/08/25/68/812082568.db2.gz LUNJKQVTXZXBMK-KGASUQACSA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccs1 ZINC001049301695 812112165 /nfs/dbraw/zinc/11/21/65/812112165.db2.gz 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CN1CC(CNc2cc(Cl)nc3[nH]cc(C#N)c32)C1 ZINC001170254156 812372463 /nfs/dbraw/zinc/37/24/63/812372463.db2.gz VXYQILBUJFUECD-UHFFFAOYSA-N 0 3 275.743 2.061 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H](C)OC)C1 ZINC001097806066 812435261 /nfs/dbraw/zinc/43/52/61/812435261.db2.gz VSBDREGSKASYSY-YJNKXOJESA-N 0 3 292.423 2.099 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001052686755 812446300 /nfs/dbraw/zinc/44/63/00/812446300.db2.gz MXLOBGLBJSSZSV-LSDHHAIUSA-N 0 3 276.424 2.417 20 30 CEEDHN C=CCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC001114026202 812446412 /nfs/dbraw/zinc/44/64/12/812446412.db2.gz XTLWVNXUTDWNSY-NHAGDIPZSA-N 0 3 276.405 2.261 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001052781930 812459773 /nfs/dbraw/zinc/45/97/73/812459773.db2.gz VJEDIMOBBBPALK-HRCADAONSA-N 0 3 274.408 2.027 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)C(C)(C)C)CC1 ZINC001052886981 812472135 /nfs/dbraw/zinc/47/21/35/812472135.db2.gz VUYKNRBAJQWKCO-CYBMUJFWSA-N 0 3 250.386 2.027 20 30 CEEDHN CC#CCNCCNC(=O)c1oc2ccc(F)cc2c1C ZINC001129459609 812495576 /nfs/dbraw/zinc/49/55/76/812495576.db2.gz NBRCQRSDDNFMDZ-UHFFFAOYSA-N 0 3 288.322 2.223 20 30 CEEDHN CC#CCNCCNC(=O)c1coc2c1cccc2C ZINC001129565445 812500873 /nfs/dbraw/zinc/50/08/73/812500873.db2.gz YBEXYAKDDPAVNM-UHFFFAOYSA-N 0 3 270.332 2.084 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccoc1)C2 ZINC001054085089 812531451 /nfs/dbraw/zinc/53/14/51/812531451.db2.gz KOOGZQHGLRDLOD-KRWDZBQOSA-N 0 3 286.375 2.231 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](F)C(C)C)C2 ZINC001054179905 812546814 /nfs/dbraw/zinc/54/68/14/812546814.db2.gz KCRWKLRDWYGWLH-WBVHZDCISA-N 0 3 294.414 2.318 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)C(C)C)C2 ZINC001054207278 812550302 /nfs/dbraw/zinc/55/03/02/812550302.db2.gz VKFLTEWGAXRBMK-NVXWUHKLSA-N 0 3 276.424 2.226 20 30 CEEDHN C=CCOc1ccc(C(=O)NCCNC/C=C/Cl)cc1 ZINC001130371264 812562531 /nfs/dbraw/zinc/56/25/31/812562531.db2.gz JUFQJURRIYXGNV-FPYGCLRLSA-N 0 3 294.782 2.323 20 30 CEEDHN C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001086645123 812603272 /nfs/dbraw/zinc/60/32/72/812603272.db2.gz FNMWXZQMQQHXAE-QWHCGFSZSA-N 0 3 274.364 2.066 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001131160582 812644361 /nfs/dbraw/zinc/64/43/61/812644361.db2.gz VPTMDTMGXAJUPC-DLBZAZTESA-N 0 3 284.403 2.299 20 30 CEEDHN C#CCNCCNC(=O)CCc1ccc(C(C)C)cc1 ZINC001131244972 812652759 /nfs/dbraw/zinc/65/27/59/812652759.db2.gz ASXQKDZVWPXBOC-UHFFFAOYSA-N 0 3 272.392 2.082 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2ccccn2)C1 ZINC001054976925 812675746 /nfs/dbraw/zinc/67/57/46/812675746.db2.gz QVPZYXCQIDLBRJ-UKRRQHHQSA-N 0 3 287.407 2.230 20 30 CEEDHN CC#CCNCCNC(=O)c1cc(C)ccc1C1CC1 ZINC001131751757 812717526 /nfs/dbraw/zinc/71/75/26/812717526.db2.gz DDXQMRIGQUDOQG-UHFFFAOYSA-N 0 3 270.376 2.215 20 30 CEEDHN C=CCOCCN1C[C@@H](NC(=O)CCCC)CC[C@H]1C ZINC001131856799 812743675 /nfs/dbraw/zinc/74/36/75/812743675.db2.gz REMMFBFTUGCQAK-CABCVRRESA-N 0 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NAYCFHUKOUCZGX-YYIAUSFCSA-N 0 3 288.435 2.369 20 30 CEEDHN CC#CCCCC(=O)N[C@H]1CC[C@@H](C)N(CCOCC)C1 ZINC001132224266 812804883 /nfs/dbraw/zinc/80/48/83/812804883.db2.gz LNUYFYVKERKONU-CVEARBPZSA-N 0 3 294.439 2.186 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)CC)CC[C@H]1C ZINC001132257315 812812941 /nfs/dbraw/zinc/81/29/41/812812941.db2.gz VHUAFVYEYMOTEY-KGLIPLIRSA-N 0 3 264.413 2.415 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H]3C=CCC3)C2)CC1 ZINC001050425508 812821088 /nfs/dbraw/zinc/82/10/88/812821088.db2.gz SIQLGQZZWNMTJV-MRXNPFEDSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCCCCCC(=O)NCCNC/C=C\Cl ZINC001132407408 812842011 /nfs/dbraw/zinc/84/20/11/812842011.db2.gz FTVIUODPJFFIGF-CLFYSBASSA-N 0 3 256.777 2.028 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)c3cc[nH]c3CC)C2)CC1 ZINC001050509355 812834165 /nfs/dbraw/zinc/83/41/65/812834165.db2.gz SKLZEURSBNGUNZ-UHFFFAOYSA-N 0 3 299.418 2.138 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC3(C2)CCN(CC#CC)CC3)C1 ZINC001050657245 812848252 /nfs/dbraw/zinc/84/82/52/812848252.db2.gz 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/nfs/dbraw/zinc/00/34/21/813003421.db2.gz BGFBTPXBAVKMEA-HNNXBMFYSA-N 0 3 297.402 2.177 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)c2cc(C)c(C)cn2)CC1 ZINC001052582369 813008529 /nfs/dbraw/zinc/00/85/29/813008529.db2.gz OIFRMODFAOGTEF-INIZCTEOSA-N 0 3 299.418 2.306 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)c2nccc3occc32)CC1 ZINC001052582194 813008852 /nfs/dbraw/zinc/00/88/52/813008852.db2.gz JUNLOOQBCOKLOL-ZDUSSCGKSA-N 0 3 297.358 2.045 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001052635805 813018203 /nfs/dbraw/zinc/01/82/03/813018203.db2.gz LVAAODBRFUULTA-KBPBESRZSA-N 0 3 262.397 2.027 20 30 CEEDHN CCC1(C(=O)NCCNCc2ccc(F)c(C#N)c2)CC1 ZINC001133406384 813054084 /nfs/dbraw/zinc/05/40/84/813054084.db2.gz AFCFTVKOODKHAW-UHFFFAOYSA-N 0 3 289.354 2.093 20 30 CEEDHN C=CC(C)(C)CC(=O)NCCCNCc1c(C)noc1C ZINC001158887471 813111051 /nfs/dbraw/zinc/11/10/51/813111051.db2.gz ZJQYVGFETLCSLK-UHFFFAOYSA-N 0 3 293.411 2.490 20 30 CEEDHN COCCN(CCO[C@@H](C)C#N)Cc1ccccc1 ZINC000384422870 813119362 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/nfs/dbraw/zinc/33/40/86/813334086.db2.gz KVZJPIHIJPTVHS-WMLDXEAASA-N 0 3 294.439 2.300 20 30 CEEDHN C=CC1(CC(=O)NCCNCCF)CCCCC1 ZINC001135191108 813377712 /nfs/dbraw/zinc/37/77/12/813377712.db2.gz UQTFGNOFGBIAPY-UHFFFAOYSA-N 0 3 256.365 2.188 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(F)c2)CC[C@H]1C ZINC001071318696 813364236 /nfs/dbraw/zinc/36/42/36/813364236.db2.gz CHRJERLEIOBKRZ-CJNGLKHVSA-N 0 3 288.366 2.432 20 30 CEEDHN C=CCN1C[C@H](NC(=O)Cc2cccs2)CC[C@@H]1C ZINC001071318969 813364756 /nfs/dbraw/zinc/36/47/56/813364756.db2.gz HNPYQVGOUBVGER-QWHCGFSZSA-N 0 3 278.421 2.446 20 30 CEEDHN C=CC1(CC(=O)NCCNCC#CC)CCCCC1 ZINC001135197081 813382610 /nfs/dbraw/zinc/38/26/10/813382610.db2.gz WNXPHLVIMLVJQP-UHFFFAOYSA-N 0 3 262.397 2.242 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CC2CCC2)CC[C@H]1C ZINC001071398139 813390115 /nfs/dbraw/zinc/39/01/15/813390115.db2.gz AEWFODYQRUGHNL-TZMCWYRMSA-N 0 3 250.386 2.332 20 30 CEEDHN Cc1cc(C(=O)NCCNCc2cccc(C#N)c2)cs1 ZINC001135321576 813404759 /nfs/dbraw/zinc/40/47/59/813404759.db2.gz PTRLQBSIHFMKKE-UHFFFAOYSA-N 0 3 299.399 2.448 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)c2onc(C)c2C)CC[C@H]1C ZINC001071597613 813444719 /nfs/dbraw/zinc/44/47/19/813444719.db2.gz LTSAUSHWGYRMRM-RISCZKNCSA-N 0 3 291.395 2.450 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C2(C)CCC2)CC[C@H]1C ZINC001071742588 813473740 /nfs/dbraw/zinc/47/37/40/813473740.db2.gz QZGJAYIXLWEGJN-KGLIPLIRSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(Cl)[nH]2)CC[C@H]1C ZINC001071804266 813486121 /nfs/dbraw/zinc/48/61/21/813486121.db2.gz ZIDBWZFMBLLENU-VXGBXAGGSA-N 0 3 293.798 2.274 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2c[nH]cc2C2CC2)CC[C@H]1C ZINC001071944931 813516872 /nfs/dbraw/zinc/51/68/72/813516872.db2.gz BTZSIXJFFCTCQH-UKRRQHHQSA-N 0 3 299.418 2.498 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C(C2CC2)C2CC2)CC[C@@H]1C ZINC001071976411 813522252 /nfs/dbraw/zinc/52/22/52/813522252.db2.gz BPDLQDSZFWSPMG-BBRMVZONSA-N 0 3 288.435 2.415 20 30 CEEDHN C=CCN1C[C@H](NC(=O)Cc2ccc(C)nc2)CC[C@@H]1C ZINC001072080752 813541161 /nfs/dbraw/zinc/54/11/61/813541161.db2.gz ASJKBELJCRWINB-GOEBONIOSA-N 0 3 287.407 2.088 20 30 CEEDHN CC[C@@H](C)[C@@H](C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001135863946 813551023 /nfs/dbraw/zinc/55/10/23/813551023.db2.gz POXXIPCHMCGAHN-ZIAGYGMSSA-N 0 3 287.407 2.446 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3sccc3C)C2)C1 ZINC001072394774 813582192 /nfs/dbraw/zinc/58/21/92/813582192.db2.gz VTQCUEYDBWKZEY-UHFFFAOYSA-N 0 3 276.405 2.390 20 30 CEEDHN C=C[C@@](C)(O)CC(=O)N(CCN(C)C)CC1CCCCC1 ZINC001136409969 813690452 /nfs/dbraw/zinc/69/04/52/813690452.db2.gz GMSHHTOVZPUVKJ-QGZVFWFLSA-N 0 3 296.455 2.284 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]3CC)C2)C1 ZINC001072957456 813700366 /nfs/dbraw/zinc/70/03/66/813700366.db2.gz YHZTYGHLOUZHMN-JKSUJKDBSA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@@H](C)c3ccco3)C2)C1 ZINC001073130341 813730118 /nfs/dbraw/zinc/73/01/18/813730118.db2.gz RZQFHALWZQDLQV-CQSZACIVSA-N 0 3 288.391 2.494 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1ccn2c1CCCC2 ZINC001160143435 813730512 /nfs/dbraw/zinc/73/05/12/813730512.db2.gz NPYGTEJMVRSEFW-UHFFFAOYSA-N 0 3 295.814 2.286 20 30 CEEDHN COc1ncc(CN2CCC3SC(=O)C=C3C2)cc1C ZINC001137001315 813826784 /nfs/dbraw/zinc/82/67/84/813826784.db2.gz HVWCTGXYYZWVMV-ZDUSSCGKSA-N 0 3 290.388 2.173 20 30 CEEDHN C=CCC(C)(C)C(=O)N(CCOC)C1CCN(C)CC1 ZINC001144068162 813945788 /nfs/dbraw/zinc/94/57/88/813945788.db2.gz CWJKOYUBWMEOIG-UHFFFAOYSA-N 0 3 282.428 2.158 20 30 CEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)SC ZINC001098926749 813962015 /nfs/dbraw/zinc/96/20/15/813962015.db2.gz CTLWLMJIFCQWKT-ZIAGYGMSSA-N 0 3 296.480 2.368 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCOC1 ZINC001098982580 813971085 /nfs/dbraw/zinc/97/10/85/813971085.db2.gz MAIIJNQXMXRJFJ-GJZGRUSLSA-N 0 3 294.439 2.206 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001099018750 813976839 /nfs/dbraw/zinc/97/68/39/813976839.db2.gz PWXBDQRWMYQIEB-HPFXQQBRSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C#CC1CC1 ZINC001099065828 813984486 /nfs/dbraw/zinc/98/44/86/813984486.db2.gz XLMDKGFCVPOJNL-OAHLLOKOSA-N 0 3 274.408 2.193 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)C2CC(C)C2)C[C@H]1C(F)(F)F ZINC001099234743 813996774 /nfs/dbraw/zinc/99/67/74/813996774.db2.gz XYYGSDZSFUTEGK-KIDURHIOSA-N 0 3 290.329 2.197 20 30 CEEDHN CC(=O)N1C[C@@H]2CCC[C@]2(CNCc2ccccc2C#N)C1 ZINC001099351731 814000577 /nfs/dbraw/zinc/00/05/77/814000577.db2.gz WQTBTPRUTUAKRL-ROUUACIJSA-N 0 3 297.402 2.296 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)CCCC(C)(C)C)[C@H](O)C1 ZINC001099740709 814030487 /nfs/dbraw/zinc/03/04/87/814030487.db2.gz ILRWHVXAIFWJIY-LSDHHAIUSA-N 0 3 296.455 2.330 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)NCc1nccn1C ZINC001171176048 814060001 /nfs/dbraw/zinc/06/00/01/814060001.db2.gz OQFMYEANFQMRTE-GFCCVEGCSA-N 0 3 254.337 2.013 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2CCN(CC)C[C@@H]2O)CCCCC1 ZINC001100122849 814063586 /nfs/dbraw/zinc/06/35/86/814063586.db2.gz XLORFQRYTVUQSP-GJZGRUSLSA-N 0 3 294.439 2.084 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)N[C@H](CO)c1ccccn1 ZINC001171192227 814089660 /nfs/dbraw/zinc/08/96/60/814089660.db2.gz LRUKPLWWIPYMFV-CXAGYDPISA-N 0 3 281.359 2.207 20 30 CEEDHN CCOc1cc(CN[C@H](C)Cc2cccc(C#N)c2)ncn1 ZINC001171197581 814102727 /nfs/dbraw/zinc/10/27/27/814102727.db2.gz ARXDCWYEYWVRNX-CYBMUJFWSA-N 0 3 296.374 2.468 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)C2(C)CCC2)C1 ZINC001100576381 814151163 /nfs/dbraw/zinc/15/11/63/814151163.db2.gz ZXZSRESCRYNRLN-UHFFFAOYSA-N 0 3 270.804 2.414 20 30 CEEDHN C=C(C)CCC(=O)N1C[C@H]2CN(CC#CC)C[C@@]2(C)C1 ZINC001101254440 814237119 /nfs/dbraw/zinc/23/71/19/814237119.db2.gz RIJPOGSFGXJPCD-WBVHZDCISA-N 0 3 274.408 2.146 20 30 CEEDHN CC1(CCC(=O)NCCNCc2cccc(C#N)c2)CC1 ZINC001146458055 814288028 /nfs/dbraw/zinc/28/80/28/814288028.db2.gz CTESWZUQAIXGNI-UHFFFAOYSA-N 0 3 285.391 2.344 20 30 CEEDHN CC#CCNCCNC(=O)c1cc(Cl)ccc1Cl ZINC001148905097 814622792 /nfs/dbraw/zinc/62/27/92/814622792.db2.gz ZWOQYLNBGLHDDR-UHFFFAOYSA-N 0 3 285.174 2.336 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3CC3(C)C)C2)CC1 ZINC001086915762 814651174 /nfs/dbraw/zinc/65/11/74/814651174.db2.gz RVOQWJJBYRAKSO-LSDHHAIUSA-N 0 3 288.435 2.369 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](F)CC)C2)CC1 ZINC001086937355 814652665 /nfs/dbraw/zinc/65/26/65/814652665.db2.gz NTTSHGDWIICNTG-UONOGXRCSA-N 0 3 280.387 2.071 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H](C)CC ZINC001115005635 814672575 /nfs/dbraw/zinc/67/25/75/814672575.db2.gz OVEDIYCYENQYAW-CXTNEJHOSA-N 0 3 250.386 2.045 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](CC)C(C)C ZINC001115136099 814683142 /nfs/dbraw/zinc/68/31/42/814683142.db2.gz MDAWDWRJBGSSJK-TTZDDIAXSA-N 0 3 264.413 2.291 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)C(C)(C)C(F)F)C[C@]2(C)C1 ZINC001091994065 814684205 /nfs/dbraw/zinc/68/42/05/814684205.db2.gz IAVCKWMKUHCTIG-WBMJQRKESA-N 0 3 298.377 2.081 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)C(C)C)C[C@]2(C)C1 ZINC001092067255 814688701 /nfs/dbraw/zinc/68/87/01/814688701.db2.gz MGUCADGXRLTQLH-UXLLHSPISA-N 0 3 276.424 2.082 20 30 CEEDHN C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2CC2)CC1 ZINC001093351813 814910602 /nfs/dbraw/zinc/91/06/02/814910602.db2.gz PCFFWBZYYPFLNK-INIZCTEOSA-N 0 3 286.419 2.123 20 30 CEEDHN C/C(=C\C(=O)NCCNCc1cccc(C#N)c1)C1CC1 ZINC001124217031 815604612 /nfs/dbraw/zinc/60/46/12/815604612.db2.gz JFGLLFNSOYUNAA-UKTHLTGXSA-N 0 3 283.375 2.120 20 30 CEEDHN CC(C)[C@H](C)CC(=O)NCCNCc1ccc(C#N)cc1 ZINC001124680122 815626437 /nfs/dbraw/zinc/62/64/37/815626437.db2.gz BGCNTLBBPBSHKF-CQSZACIVSA-N 0 3 287.407 2.446 20 30 CEEDHN C=CCOC1CCC(N2CC(N3CC[C@H](F)C3)C2)CC1 ZINC001173327094 815676440 /nfs/dbraw/zinc/67/64/40/815676440.db2.gz FNLKURVATAWJBH-HLIUYOAVSA-N 0 3 282.403 2.228 20 30 CEEDHN N#CCC1CCC(NCc2cc3n(n2)CCCO3)CC1 ZINC001173329764 815677457 /nfs/dbraw/zinc/67/74/57/815677457.db2.gz AWYCZARTBGUNDZ-UHFFFAOYSA-N 0 3 274.368 2.228 20 30 CEEDHN CCOC(=O)[C@H]1CC12CCC(N[C@@H](C)CC#N)CC2 ZINC001173603173 815760375 /nfs/dbraw/zinc/76/03/75/815760375.db2.gz ATCNNRIEUKPOON-OYNVLQORSA-N 0 3 264.369 2.390 20 30 CEEDHN C#CCOc1ccc(CN2CC[C@@H](O)C[C@@H]2C)cc1OC ZINC001138349187 815772799 /nfs/dbraw/zinc/77/27/99/815772799.db2.gz UYWPWBTWEJUISN-DZGCQCFKSA-N 0 3 289.375 2.052 20 30 CEEDHN C#CCOc1ccc(CN2CC[C@H]3OCC[C@H]32)cc1 ZINC001138556199 815827098 /nfs/dbraw/zinc/82/70/98/815827098.db2.gz KDNMTDHYVCCWHP-HZPDHXFCSA-N 0 3 257.333 2.062 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@]3(CCO3)C2)cc1 ZINC001138558025 815827732 /nfs/dbraw/zinc/82/77/32/815827732.db2.gz XDMKQSBUZFPBGN-KRWDZBQOSA-N 0 3 271.360 2.454 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CCC[C@](C)(O)C2)c1[O-] ZINC001138627969 815848879 /nfs/dbraw/zinc/84/88/79/815848879.db2.gz KUDFEFUGSZXENS-INIZCTEOSA-N 0 3 261.365 2.468 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CCC[C@](C)(O)C2)c1[O-] ZINC001138627969 815848886 /nfs/dbraw/zinc/84/88/86/815848886.db2.gz KUDFEFUGSZXENS-INIZCTEOSA-N 0 3 261.365 2.468 20 30 CEEDHN C=CCc1cccc(C[N@@H+](C)CCC(=O)N(C)C)c1[O-] ZINC001138627836 815850129 /nfs/dbraw/zinc/85/01/29/815850129.db2.gz GNDUFJUPHHHEEU-UHFFFAOYSA-N 0 3 276.380 2.031 20 30 CEEDHN C=CCc1cccc(C[N@H+](C)CCC(=O)N(C)C)c1[O-] ZINC001138627836 815850134 /nfs/dbraw/zinc/85/01/34/815850134.db2.gz GNDUFJUPHHHEEU-UHFFFAOYSA-N 0 3 276.380 2.031 20 30 CEEDHN CC(=O)NC1CCN(Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139701710 816088357 /nfs/dbraw/zinc/08/83/57/816088357.db2.gz OGVRJNLSBRVWGT-UHFFFAOYSA-N 0 3 296.374 2.140 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)CC[C@H]1CCCCO1 ZINC001139870008 816131393 /nfs/dbraw/zinc/13/13/93/816131393.db2.gz WDKQKGJPUOHQTQ-OAHLLOKOSA-N 0 3 282.428 2.302 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(C)c(F)cc1N ZINC001139873795 816132463 /nfs/dbraw/zinc/13/24/63/816132463.db2.gz DVPHIFLWLAFMCX-UHFFFAOYSA-N 0 3 293.386 2.296 20 30 CEEDHN CN1CCN(Cc2cc(F)c(C#N)c(F)c2)CC1(C)C ZINC001140755045 816346715 /nfs/dbraw/zinc/34/67/15/816346715.db2.gz RIIPDORGOFVQRC-UHFFFAOYSA-N 0 3 279.334 2.362 20 30 CEEDHN CN(CC(=O)NCCC#N)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000839171159 816566093 /nfs/dbraw/zinc/56/60/93/816566093.db2.gz ZTKAHZRBBKQBAJ-CVEARBPZSA-N 0 3 285.391 2.284 20 30 CEEDHN CSc1nc(CN(C)[C@H]2CC[C@H](O)CC2)ccc1C#N ZINC001141931993 816599739 /nfs/dbraw/zinc/59/97/39/816599739.db2.gz PZMGMWHIGPJZNQ-HDJSIYSDSA-N 0 3 291.420 2.410 20 30 CEEDHN N#Cc1ccnc(NC(=O)C(C#N)Cc2cccs2)c1 ZINC001177905004 816641298 /nfs/dbraw/zinc/64/12/98/816641298.db2.gz QUPCLXFELRPJQY-LLVKDONJSA-N 0 3 282.328 2.336 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)Cc1ccc(C2CC2)cn1 ZINC001177969902 816648313 /nfs/dbraw/zinc/64/83/13/816648313.db2.gz GYNAHGLIKFFEPU-KRWDZBQOSA-N 0 3 299.418 2.268 20 30 CEEDHN C#C[C@@H](CCC)NC[C@@H](O)c1c(F)cccc1F ZINC000229978349 816671247 /nfs/dbraw/zinc/67/12/47/816671247.db2.gz MAZLFDCWSQSGRH-GXFFZTMASA-N 0 3 253.292 2.390 20 30 CEEDHN O=C(C#Cc1ccccc1)NCCc1cnc2cc[nH]cc1-2 ZINC001142863967 816741827 /nfs/dbraw/zinc/74/18/27/816741827.db2.gz JMALIAQTCSHKDG-UHFFFAOYSA-N 0 3 289.338 2.273 20 30 CEEDHN O=C(C#Cc1ccccc1)NCCc1c[nH]c2ccncc12 ZINC001142863967 816741833 /nfs/dbraw/zinc/74/18/33/816741833.db2.gz JMALIAQTCSHKDG-UHFFFAOYSA-N 0 3 289.338 2.273 20 30 CEEDHN CC1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000034651549 361793068 /nfs/dbraw/zinc/79/30/68/361793068.db2.gz REDMQFGAUIGXNO-HNNXBMFYSA-N 0 3 274.364 2.030 20 30 CEEDHN CC1CCC(N2CCN(c3cnc(C#N)cn3)CC2)CC1 ZINC000124810545 365661456 /nfs/dbraw/zinc/66/14/56/365661456.db2.gz KHEHEPMSHKXICN-UHFFFAOYSA-N 0 3 285.395 2.049 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCCC)C(C)C ZINC000125577735 365678971 /nfs/dbraw/zinc/67/89/71/365678971.db2.gz RQZQNCBXERGWRX-AWEZNQCLSA-N 0 3 267.417 2.394 20 30 CEEDHN C=C1CC(C)(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)C1 ZINC000601437049 346837029 /nfs/dbraw/zinc/83/70/29/346837029.db2.gz NELWEWASEYIQFZ-KGLIPLIRSA-N 0 3 294.464 2.381 20 30 CEEDHN CC(C)N1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000036171029 361834194 /nfs/dbraw/zinc/83/41/94/361834194.db2.gz SKZLDRNUJZCIMT-UHFFFAOYSA-N 0 3 287.407 2.353 20 30 CEEDHN CCN(CC(=O)Nc1cccc(C#N)c1)CC(C)C ZINC000037111584 361896945 /nfs/dbraw/zinc/89/69/45/361896945.db2.gz UUYMBEFQGJHMFR-UHFFFAOYSA-N 0 3 259.353 2.475 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000337949239 214327009 /nfs/dbraw/zinc/32/70/09/214327009.db2.gz GOLRPBKROMISHD-DOMZBBRYSA-N 0 3 285.391 2.421 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccccc2CC#N)C1 ZINC000601667354 346873703 /nfs/dbraw/zinc/87/37/03/346873703.db2.gz VUGHWTXOAOZNIQ-AWEZNQCLSA-N 0 3 285.391 2.355 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@H](Cn3ccnn3)C2)c1 ZINC000668450732 539177509 /nfs/dbraw/zinc/17/75/09/539177509.db2.gz FYDMVQLDKZKEBG-INIZCTEOSA-N 0 3 298.390 2.365 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Cc1cncnc1 ZINC000329738312 539248203 /nfs/dbraw/zinc/24/82/03/539248203.db2.gz UFICDORQLGISRO-ZDUSSCGKSA-N 0 3 276.384 2.096 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)C1(C#N)CC(C)C1 ZINC000126275088 365705413 /nfs/dbraw/zinc/70/54/13/365705413.db2.gz CATSJWCRFXUYBH-OWYJLGKBSA-N 0 3 265.401 2.019 20 30 CEEDHN CCN(CCOc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000042308838 362081756 /nfs/dbraw/zinc/08/17/56/362081756.db2.gz AKPFAXKZJFKCSP-INIZCTEOSA-N 0 3 274.364 2.438 20 30 CEEDHN C[C@@H]1CCN(C)CCN1Cc1ccc(C#N)cc1F ZINC000336613514 365719314 /nfs/dbraw/zinc/71/93/14/365719314.db2.gz BDWSQURMGSPDLP-GFCCVEGCSA-N 0 3 261.344 2.223 20 30 CEEDHN CCCCCNC(=O)C1CCN(CCCC#N)CC1 ZINC000045944978 362171336 /nfs/dbraw/zinc/17/13/36/362171336.db2.gz FOSJIOSSDMPJAT-UHFFFAOYSA-N 0 3 265.401 2.309 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)c2ccc(C#N)o2)C1 ZINC000351163726 219083810 /nfs/dbraw/zinc/08/38/10/219083810.db2.gz IXOCVRRHFFNQDP-UHFFFAOYSA-N 0 3 275.352 2.003 20 30 CEEDHN N#Cc1cc2c(nc1N[C@H]1CCN(C3CC3)C1)CCCC2 ZINC000044679017 343476761 /nfs/dbraw/zinc/47/67/61/343476761.db2.gz NIIKSFQSBPXDOW-AWEZNQCLSA-N 0 3 282.391 2.481 20 30 CEEDHN N#Cc1ccccc1OC[C@H](O)CN1CC2(C1)CCCC2 ZINC000601958659 346942974 /nfs/dbraw/zinc/94/29/74/346942974.db2.gz NGMGHZWTPXFYTD-OAHLLOKOSA-N 0 3 286.375 2.174 20 30 CEEDHN CCN1CCC(N(C)C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000045906758 343489612 /nfs/dbraw/zinc/48/96/12/343489612.db2.gz NUFVXZXKGAKPFO-UHFFFAOYSA-N 0 3 299.418 2.434 20 30 CEEDHN CCC1(CC)CN(C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000601958856 346943165 /nfs/dbraw/zinc/94/31/65/346943165.db2.gz NYYKQBGPZFMCNZ-AWEZNQCLSA-N 0 3 280.412 2.180 20 30 CEEDHN COC(=O)C[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000048400652 343529993 /nfs/dbraw/zinc/52/99/93/343529993.db2.gz SZEOCDHFYFKSAY-HNNXBMFYSA-N 0 3 272.348 2.476 20 30 CEEDHN CCCNC(=O)[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000051043311 343547843 /nfs/dbraw/zinc/54/78/43/343547843.db2.gz VCLFOEIGOXAMDN-MRXNPFEDSA-N 0 3 285.391 2.296 20 30 CEEDHN CCCN(CCC(=O)OC)Cc1ccc(C#N)cc1 ZINC000051855218 343552802 /nfs/dbraw/zinc/55/28/02/343552802.db2.gz NMJHPPYWEPLFEJ-UHFFFAOYSA-N 0 3 260.337 2.333 20 30 CEEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)[C@H](O)C(F)F ZINC000295020759 199303811 /nfs/dbraw/zinc/30/38/11/199303811.db2.gz KNNIVTGDSCJDTD-AAEUAGOBSA-N 0 3 284.306 2.061 20 30 CEEDHN N#CCN(C(=O)c1ccc(CN2CCCC2)cc1)C1CC1 ZINC000064947592 343694483 /nfs/dbraw/zinc/69/44/83/343694483.db2.gz DSBUMFQYWYPAKH-UHFFFAOYSA-N 0 3 283.375 2.411 20 30 CEEDHN CC[C@@H](CCO)CNCc1cccc(F)c1C#N ZINC000602013476 346959303 /nfs/dbraw/zinc/95/93/03/346959303.db2.gz PAJJDDMMKYCGCA-NSHDSACASA-N 0 3 250.317 2.196 20 30 CEEDHN CC[C@@](C)(CCO)NCc1cccc(F)c1C#N ZINC000602014711 346959385 /nfs/dbraw/zinc/95/93/85/346959385.db2.gz VWQVCSHZGLTABI-AWEZNQCLSA-N 0 3 250.317 2.338 20 30 CEEDHN C[C@H](CO)CCCNCc1cccc(F)c1C#N ZINC000602016107 346960181 /nfs/dbraw/zinc/96/01/81/346960181.db2.gz UVYKCXCJFCJSGE-NSHDSACASA-N 0 3 250.317 2.196 20 30 CEEDHN COCC1(CNCc2cccc(F)c2C#N)CCOCC1 ZINC000602019033 346961806 /nfs/dbraw/zinc/96/18/06/346961806.db2.gz CJRWAHKGQFLUBR-UHFFFAOYSA-N 0 3 292.354 2.230 20 30 CEEDHN C#CCOc1ccccc1CNCCCn1ccnc1C ZINC000069754153 343790744 /nfs/dbraw/zinc/79/07/44/343790744.db2.gz JZWUQRVIMXTDJW-UHFFFAOYSA-N 0 3 283.375 2.383 20 30 CEEDHN CCN(CC#N)C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000070449277 343793464 /nfs/dbraw/zinc/79/34/64/343793464.db2.gz NSSKQOPJQZMACM-MRXNPFEDSA-N 0 3 285.391 2.271 20 30 CEEDHN CC1(C#N)CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000602146128 346982210 /nfs/dbraw/zinc/98/22/10/346982210.db2.gz VHFMLBHQXWSPJK-AWEZNQCLSA-N 0 3 275.396 2.156 20 30 CEEDHN CN(C)C/C=C/C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000075297935 343845513 /nfs/dbraw/zinc/84/55/13/343845513.db2.gz BSRJHCBLITYBDC-FRFGOACMSA-N 0 3 297.402 2.403 20 30 CEEDHN CN(CCc1ccncc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000048260065 362252056 /nfs/dbraw/zinc/25/20/56/362252056.db2.gz NSJQAYYZCRKLRZ-QGZVFWFLSA-N 0 3 281.359 2.161 20 30 CEEDHN C[C@@H](C#N)CN(C)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000602347568 347016556 /nfs/dbraw/zinc/01/65/56/347016556.db2.gz HZUMKTUQKGFWPC-ZFWWWQNUSA-N 0 3 292.427 2.194 20 30 CEEDHN C#CCCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000077576753 343925076 /nfs/dbraw/zinc/92/50/76/343925076.db2.gz NFKNCMBULJUUIU-MRXNPFEDSA-N 0 3 299.418 2.316 20 30 CEEDHN C=C(Cl)CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000077791591 343933146 /nfs/dbraw/zinc/93/31/46/343933146.db2.gz DXYMZAMMCSZSAE-ZDUSSCGKSA-N 0 3 281.787 2.341 20 30 CEEDHN C=CCCC[C@H](C)N1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC000091507007 344165889 /nfs/dbraw/zinc/16/58/89/344165889.db2.gz JAIKWCGUNQDTBH-CVEARBPZSA-N 0 3 295.471 2.264 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(c2ncccn2)CC1 ZINC000091506632 344165993 /nfs/dbraw/zinc/16/59/93/344165993.db2.gz NEKZVMYBWUVNEN-CQSZACIVSA-N 0 3 260.385 2.343 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CC1CCC1 ZINC000111299250 344270856 /nfs/dbraw/zinc/27/08/56/344270856.db2.gz OPMPHHVGUOHOCN-CYBMUJFWSA-N 0 3 250.386 2.307 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCC[C@@H]2C1 ZINC000152650364 344426916 /nfs/dbraw/zinc/42/69/16/344426916.db2.gz NUBHSDPRUFMGBY-OKILXGFUSA-N 0 3 250.386 2.143 20 30 CEEDHN N#Cc1cccc(CN2CCN(c3ccncc3)CC2)c1 ZINC000161399850 344464243 /nfs/dbraw/zinc/46/42/43/344464243.db2.gz DZRWZFFSWSTKSG-UHFFFAOYSA-N 0 3 278.359 2.275 20 30 CEEDHN Cc1cc(C#N)ccc1CN[C@@H](C)Cn1cccn1 ZINC000165229573 344473833 /nfs/dbraw/zinc/47/38/33/344473833.db2.gz ATLKONFJIDGYGX-ZDUSSCGKSA-N 0 3 254.337 2.242 20 30 CEEDHN C[C@@H](CC(=O)N(C)C)N[C@@H](C)c1cccc(C#N)c1 ZINC000312089180 344737484 /nfs/dbraw/zinc/73/74/84/344737484.db2.gz YGRZVWBSBVALPT-RYUDHWBXSA-N 0 3 259.353 2.076 20 30 CEEDHN COCc1cc(Cl)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000602523956 347065877 /nfs/dbraw/zinc/06/58/77/347065877.db2.gz JJWFLNXFTFYFRF-LBPRGKRZSA-N 0 3 295.770 2.446 20 30 CEEDHN C=CCC[C@H](CO)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000320338499 344752394 /nfs/dbraw/zinc/75/23/94/344752394.db2.gz APEGWOPAQLGKHU-SWLSCSKDSA-N 0 3 291.391 2.435 20 30 CEEDHN CN1CCC(O)(CNC(=O)C[C@@H]2C=CCCC2)CC1 ZINC000330240118 530050687 /nfs/dbraw/zinc/05/06/87/530050687.db2.gz VUOFZYYPJIJHIK-CYBMUJFWSA-N 0 3 266.385 2.146 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNCc1cccc(C#N)n1 ZINC000602564131 347079362 /nfs/dbraw/zinc/07/93/62/347079362.db2.gz LXPXRFKGDHRMGE-OKILXGFUSA-N 0 3 272.396 2.306 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389881880 344836806 /nfs/dbraw/zinc/83/68/06/344836806.db2.gz OSSDBSZFAZZNCS-FVQBIDKESA-N 0 3 285.391 2.173 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)C1(C#N)CCCCC1 ZINC000408126940 344886769 /nfs/dbraw/zinc/88/67/69/344886769.db2.gz CCKOTBVYUQTMQN-CQSZACIVSA-N 0 3 277.412 2.451 20 30 CEEDHN Cc1ccn(-c2ccccc2NC(=O)[C@@H](N)CCCC#N)n1 ZINC000424118882 344897041 /nfs/dbraw/zinc/89/70/41/344897041.db2.gz DOTAYGARJLQYLA-ZDUSSCGKSA-N 0 3 297.362 2.140 20 30 CEEDHN C=CCN1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000493804016 344920297 /nfs/dbraw/zinc/92/02/97/344920297.db2.gz BQFUUSFAESIKMK-RYUDHWBXSA-N 0 3 254.374 2.408 20 30 CEEDHN CCCN(C)CC(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000584691624 344976958 /nfs/dbraw/zinc/97/69/58/344976958.db2.gz QAUCZQRLUUEUHG-HNNXBMFYSA-N 0 3 265.401 2.307 20 30 CEEDHN C=CCN1CCC(NC(=O)CCCCCC#N)CC1 ZINC000588350143 345046586 /nfs/dbraw/zinc/04/65/86/345046586.db2.gz SHYOSWLCEDVZEU-UHFFFAOYSA-N 0 3 263.385 2.227 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)CCCCCC#N)CN1C1CC1 ZINC000588639549 345048473 /nfs/dbraw/zinc/04/84/73/345048473.db2.gz LUPYUUZKCWAAPM-OLZOCXBDSA-N 0 3 263.385 2.202 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)CCc1ccc(C#N)cc1 ZINC000055209132 362545584 /nfs/dbraw/zinc/54/55/84/362545584.db2.gz SKUUEHCBLYTLME-INIZCTEOSA-N 0 3 285.391 2.091 20 30 CEEDHN CN1C[C@H]2CCN(Cc3ccc(C#N)cc3Cl)[C@@H]2C1 ZINC000590010804 345110038 /nfs/dbraw/zinc/11/00/38/345110038.db2.gz WAYXTQZNPDKOFZ-UKRRQHHQSA-N 0 3 275.783 2.348 20 30 CEEDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1cc(C#N)ccc1F ZINC000590751008 345173570 /nfs/dbraw/zinc/17/35/70/345173570.db2.gz AVBGIOCCDNCXRD-OCCSQVGLSA-N 0 3 276.311 2.129 20 30 CEEDHN CN(Cc1ccnc(C#N)c1)[C@H](CO)CC(C)(C)C ZINC000590761586 345175523 /nfs/dbraw/zinc/17/55/23/345175523.db2.gz LWPBOPYJABXURE-AWEZNQCLSA-N 0 3 261.369 2.182 20 30 CEEDHN CC[C@H](CN1CCCC1)Nc1ncc(C#N)cc1F ZINC000591147302 345225236 /nfs/dbraw/zinc/22/52/36/345225236.db2.gz RUZKEOUSWODYSD-GFCCVEGCSA-N 0 3 262.332 2.379 20 30 CEEDHN CC[C@H](C(=O)N[C@](C)(C#N)C1CCCCC1)N(C)C ZINC000591185591 345229693 /nfs/dbraw/zinc/22/96/93/345229693.db2.gz UIXLDRMKTINBSW-UKRRQHHQSA-N 0 3 265.401 2.305 20 30 CEEDHN C[C@H](NCC(C)(C)CC#N)c1cccc(-n2cnnn2)c1 ZINC000591243092 345233797 /nfs/dbraw/zinc/23/37/97/345233797.db2.gz RKSBXNQYYGTESE-LBPRGKRZSA-N 0 3 284.367 2.253 20 30 CEEDHN N#CCCN(CC1CC1)C(=O)Nc1cccc(CN)c1 ZINC000591309737 345238509 /nfs/dbraw/zinc/23/85/09/345238509.db2.gz CPWVJTKPEFABSM-UHFFFAOYSA-N 0 3 272.352 2.303 20 30 CEEDHN CN(C)[C@H](CC(=O)N1CC[C@](F)(C#N)C1)c1ccccc1 ZINC000591320324 345239998 /nfs/dbraw/zinc/23/99/98/345239998.db2.gz QZVBBEOLPALVEJ-ZBFHGGJFSA-N 0 3 289.354 2.144 20 30 CEEDHN N#CCc1ccc(CN2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000590971840 345207755 /nfs/dbraw/zinc/20/77/55/345207755.db2.gz PDWQPCYJTDQCIA-CVEARBPZSA-N 0 3 256.349 2.363 20 30 CEEDHN N#CC1(NC(=O)CN2CC[C@H](C3CCC3)C2)CCCCC1 ZINC000591061717 345215078 /nfs/dbraw/zinc/21/50/78/345215078.db2.gz FYTDEKVPXIOASY-HNNXBMFYSA-N 0 3 289.423 2.451 20 30 CEEDHN CN1CCN(Cc2ccncc2C#N)C2(CCCCC2)C1 ZINC000592071080 345318326 /nfs/dbraw/zinc/31/83/26/345318326.db2.gz DIVNMRBQQAOJFH-UHFFFAOYSA-N 0 3 284.407 2.404 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCCCCc1ccccc1 ZINC000591593100 345267619 /nfs/dbraw/zinc/26/76/19/345267619.db2.gz PLIIBEASOXRUNG-HNNXBMFYSA-N 0 3 273.380 2.147 20 30 CEEDHN C[C@H](Cc1cccc(O)c1)NC[C@@H](C#N)CCC#N ZINC000591756660 345276995 /nfs/dbraw/zinc/27/69/95/345276995.db2.gz NHKUNAPTACQSKH-TZMCWYRMSA-N 0 3 257.337 2.356 20 30 CEEDHN C[C@](O)(CN[C@@H]1CCc2cc(C#N)ccc21)C(F)(F)F ZINC000591764287 345278605 /nfs/dbraw/zinc/27/86/05/345278605.db2.gz DJOHIOXGCPJJNO-OLZOCXBDSA-N 0 3 284.281 2.448 20 30 CEEDHN C[C@H]1CC[C@@H](N(C)Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592513974 345363436 /nfs/dbraw/zinc/36/34/36/345363436.db2.gz MSKLGXIKGAYWJT-SMDDNHRTSA-N 0 3 269.352 2.221 20 30 CEEDHN Cc1ccccc1C1(NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000592568165 345370350 /nfs/dbraw/zinc/37/03/50/345370350.db2.gz AEUNTLYVLLJXDQ-AWEZNQCLSA-N 0 3 271.364 2.122 20 30 CEEDHN CCN1CCc2ccc(NC(=O)[C@H](N)CCCC#N)cc21 ZINC000592123119 345325834 /nfs/dbraw/zinc/32/58/34/345325834.db2.gz WBUGUTKFGCKGCY-CQSZACIVSA-N 0 3 286.379 2.029 20 30 CEEDHN CCCc1ccc(CN2CC[C@](O)(CC#N)C2)cc1 ZINC000592150296 345330180 /nfs/dbraw/zinc/33/01/80/345330180.db2.gz DMNZZTWTDHVZTQ-MRXNPFEDSA-N 0 3 258.365 2.490 20 30 CEEDHN COCC[C@H](c1ccccc1)N1CC[C@](O)(CC#N)C1 ZINC000592150436 345330452 /nfs/dbraw/zinc/33/04/52/345330452.db2.gz CNICDLNYLFFTSS-HZPDHXFCSA-N 0 3 274.364 2.115 20 30 CEEDHN N#CC[C@@]1(O)CCN(CCSCc2ccccc2)C1 ZINC000592153525 345331712 /nfs/dbraw/zinc/33/17/12/345331712.db2.gz NJRDSZUIJRIQAT-OAHLLOKOSA-N 0 3 276.405 2.270 20 30 CEEDHN CC(C#N)C(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592879081 345411174 /nfs/dbraw/zinc/41/11/74/345411174.db2.gz OLUWBVCCLZEFTC-NSHDSACASA-N 0 3 280.368 2.116 20 30 CEEDHN CC[C@]1(NCc2ccc(C#N)cc2[N+](=O)[O-])CCOC1 ZINC000593026815 345425559 /nfs/dbraw/zinc/42/55/59/345425559.db2.gz GOMIRYATYJOVDS-AWEZNQCLSA-N 0 3 275.308 2.125 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C#N)CC)C(C)C ZINC000593464061 345492074 /nfs/dbraw/zinc/49/20/74/345492074.db2.gz ICCYOZYCHYKUED-CABCVRRESA-N 0 3 277.412 2.351 20 30 CEEDHN CCC(C#N)C(=O)N=c1cc(C2CCCCC2)[nH][nH]1 ZINC000593509112 345501050 /nfs/dbraw/zinc/50/10/50/345501050.db2.gz SQGHVBQSJISIAU-JTQLQIEISA-N 0 3 260.341 2.368 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)NCC2(C#N)CCCC2)CCN1C ZINC000593427484 345483423 /nfs/dbraw/zinc/48/34/23/345483423.db2.gz RUDHHGJXNWYDMW-KGLIPLIRSA-N 0 3 292.427 2.194 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CO)CCF)c(C(F)(F)F)c1 ZINC000593689624 345521488 /nfs/dbraw/zinc/52/14/88/345521488.db2.gz OKNSDYOISCHXAM-LLVKDONJSA-N 0 3 290.260 2.387 20 30 CEEDHN CC[C@H](C#N)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000593739859 345530405 /nfs/dbraw/zinc/53/04/05/345530405.db2.gz LIIZHBKQXDLRBU-CYBMUJFWSA-N 0 3 279.409 2.188 20 30 CEEDHN Cc1cc2c(cc1C#N)[nH]nc2NC(=O)C(C)C(F)(F)F ZINC000593844810 345545083 /nfs/dbraw/zinc/54/50/83/345545083.db2.gz QWKDUSORGOKXNY-ZETCQYMHSA-N 0 3 296.252 2.302 20 30 CEEDHN N#Cc1ccc(CN2CCCCC[C@H]2CCO)nc1 ZINC000593985959 345560314 /nfs/dbraw/zinc/56/03/14/345560314.db2.gz PXJATSFUCSUKCP-HNNXBMFYSA-N 0 3 259.353 2.080 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCCCC[C@@H]1CO ZINC000594017144 345568154 /nfs/dbraw/zinc/56/81/54/345568154.db2.gz RYQYHEDBWZPSPG-OAHLLOKOSA-N 0 3 274.364 2.304 20 30 CEEDHN N#Cc1ccc(C2(NCCn3ccnc3)CCC2)cc1 ZINC000594033175 345569887 /nfs/dbraw/zinc/56/98/87/345569887.db2.gz IXDKQLIUSJWAMR-UHFFFAOYSA-N 0 3 266.348 2.424 20 30 CEEDHN CC(C)NC(=O)CCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032092 345570131 /nfs/dbraw/zinc/57/01/31/345570131.db2.gz CXCSUBHHLYCKPG-UHFFFAOYSA-N 0 3 285.391 2.442 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)C[C@@H]1CCCN1C ZINC000594051670 345574117 /nfs/dbraw/zinc/57/41/17/345574117.db2.gz UZVYWROZCWXONO-YOEHRIQHSA-N 0 3 299.418 2.289 20 30 CEEDHN CN(C)CCN(C(=O)c1ccc(C#N)[nH]1)c1ccccc1 ZINC000119465773 232202345 /nfs/dbraw/zinc/20/23/45/232202345.db2.gz IKYLJKKBOWTXET-UHFFFAOYSA-N 0 3 282.347 2.095 20 30 CEEDHN C[C@@H](CNc1ccccc1)NC(=O)[C@@H](N)CCCCC#N ZINC000594467839 345636597 /nfs/dbraw/zinc/63/65/97/345636597.db2.gz HLNNDQYFFGLNHF-ZFWWWQNUSA-N 0 3 288.395 2.014 20 30 CEEDHN C[C@H](CNC(=O)CCCCC#N)N1CCC(C)CC1 ZINC000594253428 345605167 /nfs/dbraw/zinc/60/51/67/345605167.db2.gz FRSBVCBJVVCJIX-CQSZACIVSA-N 0 3 265.401 2.307 20 30 CEEDHN CCCNC(=O)CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594495984 345638118 /nfs/dbraw/zinc/63/81/18/345638118.db2.gz WCIKKKZEDPRYTF-UHFFFAOYSA-N 0 3 287.407 2.494 20 30 CEEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000594497131 345638351 /nfs/dbraw/zinc/63/83/51/345638351.db2.gz CEOYNWDRLAEFFA-OAHLLOKOSA-N 0 3 297.402 2.341 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(F)cc1F ZINC000594424339 345625034 /nfs/dbraw/zinc/62/50/34/345625034.db2.gz AXINKVPXSCSTPH-NSHDSACASA-N 0 3 267.279 2.315 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1-n1cccn1 ZINC000594426229 345626538 /nfs/dbraw/zinc/62/65/38/345626538.db2.gz OABNCBKIKGAIEM-ZDUSSCGKSA-N 0 3 297.362 2.222 20 30 CEEDHN COc1ccccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594426263 345626735 /nfs/dbraw/zinc/62/67/35/345626735.db2.gz ODSSSJJCICGDCF-NSHDSACASA-N 0 3 261.325 2.045 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(F)c1F ZINC000594428880 345627557 /nfs/dbraw/zinc/62/75/57/345627557.db2.gz ODVKZDVQJKDQNY-SNVBAGLBSA-N 0 3 267.279 2.315 20 30 CEEDHN CCCN(C[C@@H]1CCCCO1)C(=O)[C@H](N)CCCCC#N ZINC000594432811 345628824 /nfs/dbraw/zinc/62/88/24/345628824.db2.gz BYRQHBQIZBPORG-LSDHHAIUSA-N 0 3 295.427 2.205 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCS[C@H]2CCCC[C@H]21 ZINC000594433432 345629326 /nfs/dbraw/zinc/62/93/26/345629326.db2.gz PNROGKSVNBXOIJ-MJBXVCDLSA-N 0 3 295.452 2.284 20 30 CEEDHN CC(C)n1cc([C@H](C)NC(=O)[C@H](N)CCCCC#N)cn1 ZINC000594434311 345629461 /nfs/dbraw/zinc/62/94/61/345629461.db2.gz NGUWKLYPZNPVNW-GXTWGEPZSA-N 0 3 291.399 2.052 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CSc2ccccc21 ZINC000594434800 345629596 /nfs/dbraw/zinc/62/95/96/345629596.db2.gz TWMZBVSSKALFLE-STQMWFEESA-N 0 3 289.404 2.361 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000594435837 345629847 /nfs/dbraw/zinc/62/98/47/345629847.db2.gz AHBFWQKKCWLAEQ-AWEZNQCLSA-N 0 3 297.362 2.426 20 30 CEEDHN CC(C)[C@@H](C)N(C(=O)[C@@H](N)CCCCC#N)C1CC1 ZINC000594437313 345630708 /nfs/dbraw/zinc/63/07/08/345630708.db2.gz VKPMWKXAMLXFAJ-OCCSQVGLSA-N 0 3 265.401 2.433 20 30 CEEDHN CCc1nc([C@H](C)NC(=O)[C@H](N)CCCCC#N)cs1 ZINC000594437039 345630807 /nfs/dbraw/zinc/63/08/07/345630807.db2.gz HPDXAROKPRRNDR-WDEREUQCSA-N 0 3 294.424 2.294 20 30 CEEDHN Cc1cc(N[C@H]2CCCN3CCCC[C@@H]23)c(C#N)cn1 ZINC000594604362 345658058 /nfs/dbraw/zinc/65/80/58/345658058.db2.gz YPVCCHRHRBMWSS-HOCLYGCPSA-N 0 3 270.380 2.112 20 30 CEEDHN CCC[C@H](O)[C@H](CO)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594506900 345640348 /nfs/dbraw/zinc/64/03/48/345640348.db2.gz HCXOIQVENDTSOJ-HOTGVXAUSA-N 0 3 290.407 2.099 20 30 CEEDHN CC(C)(C#N)c1ccc(CNC[C@H]2CCCNC2=O)cc1 ZINC000594510074 345640886 /nfs/dbraw/zinc/64/08/86/345640886.db2.gz ZRBPYNWRGYKSJE-CQSZACIVSA-N 0 3 285.391 2.104 20 30 CEEDHN C[C@]1(C#N)CCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000595232412 345746451 /nfs/dbraw/zinc/74/64/51/345746451.db2.gz AVLGFJPCUDUDIX-MRXNPFEDSA-N 0 3 284.363 2.100 20 30 CEEDHN N#Cc1ccnc(N2CCN(CCC3CCC3)CC2)c1 ZINC000595289619 345755039 /nfs/dbraw/zinc/75/50/39/345755039.db2.gz GCXKPGKHQHQPOZ-UHFFFAOYSA-N 0 3 270.380 2.265 20 30 CEEDHN C=CCSCCNCc1c(C2CC2)cnn1C ZINC000594919956 345701740 /nfs/dbraw/zinc/70/17/40/345701740.db2.gz KZKFGHLLGMMQDS-UHFFFAOYSA-N 0 3 251.399 2.306 20 30 CEEDHN Cc1ncc(CN[C@H]2CCc3cc(C#N)ccc32)n1C ZINC000594939530 345710873 /nfs/dbraw/zinc/71/08/73/345710873.db2.gz SBAXJKZQJSYZKN-INIZCTEOSA-N 0 3 266.348 2.377 20 30 CEEDHN N#CC1(c2ccc(CNC[C@H]3CCCC(=O)N3)cc2)CC1 ZINC000594940172 345710994 /nfs/dbraw/zinc/71/09/94/345710994.db2.gz WKQRXMHCIAQQMH-OAHLLOKOSA-N 0 3 283.375 2.000 20 30 CEEDHN C=CCCSCCNCc1cccc(OC)n1 ZINC000594959771 345717302 /nfs/dbraw/zinc/71/73/02/345717302.db2.gz CUTLBVOUACUVEJ-UHFFFAOYSA-N 0 3 252.383 2.489 20 30 CEEDHN N#CCCn1cc(CNC/C=C\CO)c(-c2ccccc2)n1 ZINC000594973547 345720384 /nfs/dbraw/zinc/72/03/84/345720384.db2.gz FQGJIJDSFWJGPB-PLNGDYQASA-N 0 3 296.374 2.102 20 30 CEEDHN C[C@@H](c1ccccc1)[C@H](O)CNCc1ccc(C#N)o1 ZINC000595001483 345724040 /nfs/dbraw/zinc/72/40/40/345724040.db2.gz UWURAODIFFMDBI-BLLLJJGKSA-N 0 3 270.332 2.405 20 30 CEEDHN C[C@H](Cn1cncn1)NC1(c2ccc(C#N)cc2)CCC1 ZINC000595047001 345734721 /nfs/dbraw/zinc/73/47/21/345734721.db2.gz PUNSJUMACYQVIV-CYBMUJFWSA-N 0 3 281.363 2.207 20 30 CEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@](C)(C#N)C1 ZINC000595547375 345809062 /nfs/dbraw/zinc/80/90/62/345809062.db2.gz SWCSJGLDCBQWLC-IIAWOOMASA-N 0 3 292.427 2.052 20 30 CEEDHN C[C@@H](CNC(=O)N1CC[C@](C)(C#N)C1)N1CCC(C)CC1 ZINC000595547083 345809343 /nfs/dbraw/zinc/80/93/43/345809343.db2.gz LVWRUANDQYOAJT-GOEBONIOSA-N 0 3 292.427 2.052 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595553305 345811113 /nfs/dbraw/zinc/81/11/13/345811113.db2.gz XJSWCNOWGJBKNK-GJZGRUSLSA-N 0 3 294.443 2.298 20 30 CEEDHN CC[C@H](C)N(CC)CC(=O)N(CC)C[C@H](C)C#N ZINC000595593360 345820460 /nfs/dbraw/zinc/82/04/60/345820460.db2.gz OSDWNJCWFDFJQQ-OLZOCXBDSA-N 0 3 253.390 2.115 20 30 CEEDHN N#Cc1ccc(CCN2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000595521181 345802711 /nfs/dbraw/zinc/80/27/11/345802711.db2.gz XDZSXKISJCVKME-KBPBESRZSA-N 0 3 298.308 2.346 20 30 CEEDHN C[C@@H]1COC2(CCC2)CN1CCCSCC#N ZINC000595681865 345847144 /nfs/dbraw/zinc/84/71/44/345847144.db2.gz NTCAPIRCYZZVPZ-GFCCVEGCSA-N 0 3 254.399 2.277 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595728178 345860933 /nfs/dbraw/zinc/86/09/33/345860933.db2.gz LAKWKKLWEQTNPX-KCXAZCMYSA-N 0 3 283.375 2.220 20 30 CEEDHN Cc1ccccc1OC[C@@H](O)CN1CCC[C@H](CC#N)C1 ZINC000595609503 345825504 /nfs/dbraw/zinc/82/55/04/345825504.db2.gz LHELJHZAQNYVRP-CVEARBPZSA-N 0 3 288.391 2.360 20 30 CEEDHN N#CC[C@H]1CCCN(C[C@@H](O)COc2ccccc2)C1 ZINC000595609214 345826122 /nfs/dbraw/zinc/82/61/22/345826122.db2.gz HXTFKIHAIFNLGC-HUUCEWRRSA-N 0 3 274.364 2.052 20 30 CEEDHN N#Cc1cnnc(NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000596053071 345929201 /nfs/dbraw/zinc/92/92/01/345929201.db2.gz LLVUOSDTNNUFQF-MRXNPFEDSA-N 0 3 293.374 2.019 20 30 CEEDHN CC1(C)C[C@@]1(NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000595991623 345921228 /nfs/dbraw/zinc/92/12/28/345921228.db2.gz DZTTWLKUZVBBDF-RHSMWYFYSA-N 0 3 285.391 2.449 20 30 CEEDHN C[C@@H]1C[C@H](Nc2c(C#N)cnn2C)CN1Cc1ccccc1 ZINC000596160780 345956349 /nfs/dbraw/zinc/95/63/49/345956349.db2.gz HEAKMLHACYALCC-CJNGLKHVSA-N 0 3 295.390 2.367 20 30 CEEDHN N#Cc1cc2cccnc2nc1N[C@H]1CCN(C2CC2)C1 ZINC000596091480 345938130 /nfs/dbraw/zinc/93/81/30/345938130.db2.gz KVGVZHVUHDQADF-ZDUSSCGKSA-N 0 3 279.347 2.150 20 30 CEEDHN C[C@H]1C[C@@H](N(C)c2nc3ncccc3cc2C#N)CCN1C ZINC000596137938 345948536 /nfs/dbraw/zinc/94/85/36/345948536.db2.gz YUADMMJRAKDYIJ-WFASDCNBSA-N 0 3 295.390 2.420 20 30 CEEDHN CCN1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000596267926 345986202 /nfs/dbraw/zinc/98/62/02/345986202.db2.gz ADXFIEWAHHJTCZ-GFCCVEGCSA-N 0 3 288.351 2.387 20 30 CEEDHN CCN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCN(C)C1 ZINC000596451716 346027738 /nfs/dbraw/zinc/02/77/38/346027738.db2.gz DZWCZJWGWPJHEP-AWEZNQCLSA-N 0 3 272.352 2.116 20 30 CEEDHN C[C@@H](CC#N)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000596674534 346075875 /nfs/dbraw/zinc/07/58/75/346075875.db2.gz IBGIXZKFSDZDDG-GOEBONIOSA-N 0 3 285.391 2.489 20 30 CEEDHN C=CCCSCCNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000596716958 346079562 /nfs/dbraw/zinc/07/95/62/346079562.db2.gz KJGCQEMCLPDFKL-UONOGXRCSA-N 0 3 299.484 2.277 20 30 CEEDHN COCCCN1CCC(Nc2nccc(C)c2C#N)CC1 ZINC000273274191 192095903 /nfs/dbraw/zinc/09/59/03/192095903.db2.gz CGVPOGIINZODGL-UHFFFAOYSA-N 0 3 288.395 2.175 20 30 CEEDHN C[C@@H](CNC(=O)CC1(C#N)CCCCC1)N1CCCC1 ZINC000597156382 346137557 /nfs/dbraw/zinc/13/75/57/346137557.db2.gz HISYFZZLYMEMEV-AWEZNQCLSA-N 0 3 277.412 2.451 20 30 CEEDHN COc1cc(CN2C[C@@H]3COC[C@]3(C)C2)ccc1C#N ZINC000597210509 346149427 /nfs/dbraw/zinc/14/94/27/346149427.db2.gz HSWDLBBMNHCBHR-ZBFHGGJFSA-N 0 3 272.348 2.035 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000597372277 346177636 /nfs/dbraw/zinc/17/76/36/346177636.db2.gz QOBYEOYMMHCBTC-IJEWVQPXSA-N 0 3 285.391 2.315 20 30 CEEDHN C[C@H]1CN(Cc2cc(C#N)cs2)C[C@]1(C)CO ZINC000597234454 346156868 /nfs/dbraw/zinc/15/68/68/346156868.db2.gz AEZMCDUWLGWYKL-GXFFZTMASA-N 0 3 250.367 2.070 20 30 CEEDHN Cc1n[nH]cc1CN(C)CCc1ccc(C#N)cc1 ZINC000597243178 346160069 /nfs/dbraw/zinc/16/00/69/346160069.db2.gz GQMGDGCNOJIXTJ-UHFFFAOYSA-N 0 3 254.337 2.264 20 30 CEEDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C#N)cc1)C2 ZINC000597714272 346220016 /nfs/dbraw/zinc/22/00/16/346220016.db2.gz HQROFDGIGOUTRQ-QGZVFWFLSA-N 0 3 283.375 2.116 20 30 CEEDHN C[C@H](C(=O)N1CCC[C@@H](CC#N)C1)N1[C@H](C)CC[C@@H]1C ZINC000597913084 346252355 /nfs/dbraw/zinc/25/23/55/346252355.db2.gz YOEOJIUTOGJFHB-BARDWOONSA-N 0 3 277.412 2.400 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccnc2ccccc12 ZINC000597980923 346262715 /nfs/dbraw/zinc/26/27/15/346262715.db2.gz VIVUSIWVFPJDCA-LLVKDONJSA-N 0 3 253.305 2.053 20 30 CEEDHN C[C@H](C#N)N(C(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC000598127275 346294262 /nfs/dbraw/zinc/29/42/62/346294262.db2.gz AFIUODMJWHCVLX-OLZOCXBDSA-N 0 3 263.385 2.154 20 30 CEEDHN CC[C@@H](C#N)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000598194311 346302515 /nfs/dbraw/zinc/30/25/15/346302515.db2.gz FHVVDFBOSONOQS-DLBZAZTESA-N 0 3 299.418 2.312 20 30 CEEDHN CCCN1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000598343930 346332069 /nfs/dbraw/zinc/33/20/69/346332069.db2.gz YSVCFMBHZAFJPQ-INIZCTEOSA-N 0 3 297.402 2.190 20 30 CEEDHN C[C@H](O)[C@H]1CCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000598240048 346313919 /nfs/dbraw/zinc/31/39/19/346313919.db2.gz XPBMKQCRLKIZPR-NUEKZKHPSA-N 0 3 286.375 2.131 20 30 CEEDHN CC(C)[C@@H]1CN(C(=O)[C@@H](C#N)CCc2ccccc2)CCN1 ZINC000598571998 346376208 /nfs/dbraw/zinc/37/62/08/346376208.db2.gz JPKFHZMIURIZGB-SJORKVTESA-N 0 3 299.418 2.215 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000598615778 346384718 /nfs/dbraw/zinc/38/47/18/346384718.db2.gz DZQRNTYBNIXHKU-RRFJBIMHSA-N 0 3 292.423 2.321 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCOCC12CCCCC2 ZINC000598621891 346386028 /nfs/dbraw/zinc/38/60/28/346386028.db2.gz YKFUJZWNTFWLKD-CQSZACIVSA-N 0 3 280.412 2.322 20 30 CEEDHN COc1c(C)cccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598705437 346404767 /nfs/dbraw/zinc/40/47/67/346404767.db2.gz JNJFTATYQYFNBP-AWEZNQCLSA-N 0 3 276.380 2.394 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc2c(n1)CCCC2 ZINC000598724550 346409318 /nfs/dbraw/zinc/40/93/18/346409318.db2.gz PUZGHTRXEDDRSM-HNNXBMFYSA-N 0 3 287.407 2.351 20 30 CEEDHN CC(C)(C#N)c1ccc(CNC[C@H](O)[C@@H]2CCCO2)cc1 ZINC000598989840 346442713 /nfs/dbraw/zinc/44/27/13/346442713.db2.gz CIULSGMJTAFTJJ-HOTGVXAUSA-N 0 3 288.391 2.117 20 30 CEEDHN CN(CCOC1CCOCC1)Cc1ccc(C#N)cc1 ZINC000599260337 346485825 /nfs/dbraw/zinc/48/58/25/346485825.db2.gz ZFLBPHGRLSWARC-UHFFFAOYSA-N 0 3 274.364 2.186 20 30 CEEDHN N#CC1(C[C@@H](O)CN[C@H](c2cccnc2)C2CC2)CC1 ZINC000599361809 346507164 /nfs/dbraw/zinc/50/71/64/346507164.db2.gz LBAVBSZKYFHZGD-CABCVRRESA-N 0 3 271.364 2.177 20 30 CEEDHN COc1ccccc1N1CCC(NC[C@H](C)C#N)CC1 ZINC000602606886 347098154 /nfs/dbraw/zinc/09/81/54/347098154.db2.gz FADPKDDSGNUTDD-CYBMUJFWSA-N 0 3 273.380 2.413 20 30 CEEDHN C=C[C@H]1CCCCN1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599395162 346513196 /nfs/dbraw/zinc/51/31/96/346513196.db2.gz BDPMTCUYADKCSO-GJZGRUSLSA-N 0 3 278.396 2.098 20 30 CEEDHN C[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccsc1 ZINC000599401433 346513541 /nfs/dbraw/zinc/51/35/41/346513541.db2.gz RBMBDSQMXRESGH-JSGCOSHPSA-N 0 3 294.420 2.470 20 30 CEEDHN COC(=O)[C@@]1(C)CCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599311582 346496208 /nfs/dbraw/zinc/49/62/08/346496208.db2.gz KXMZKRMIQUBHFK-INIZCTEOSA-N 0 3 272.348 2.252 20 30 CEEDHN Cc1ccc(CN2CC[C@H](CN3CCCC3=O)C2)cc1C#N ZINC000599475866 346526623 /nfs/dbraw/zinc/52/66/23/346526623.db2.gz YDLZZXBYMMEIOK-INIZCTEOSA-N 0 3 297.402 2.311 20 30 CEEDHN C[C@]1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]2C[C@H]2C1 ZINC000600614411 346662929 /nfs/dbraw/zinc/66/29/29/346662929.db2.gz PAZVLPXIJZVSDB-QSJFSLAZSA-N 0 3 283.375 2.110 20 30 CEEDHN N#Cc1ccc(CN2CCNC[C@H]2c2cccc(F)c2)o1 ZINC000600770400 346687287 /nfs/dbraw/zinc/68/72/87/346687287.db2.gz YHOHAGXRTSRITK-INIZCTEOSA-N 0 3 285.322 2.437 20 30 CEEDHN C[C@H]1C[C@@H](Nc2ncc(C#N)c3ccsc32)CCN1C ZINC000601119825 346758502 /nfs/dbraw/zinc/75/85/02/346758502.db2.gz WVPJGUYGSKXPGL-JQWIXIFHSA-N 0 3 286.404 2.484 20 30 CEEDHN CN1CC[C@@H]2[C@H](CCCN2c2cc(C#N)nc(C3CC3)n2)C1 ZINC000601132202 346763848 /nfs/dbraw/zinc/76/38/48/346763848.db2.gz XWHOBOFMLQPWAD-UKRRQHHQSA-N 0 3 297.406 2.146 20 30 CEEDHN C[C@@H](CNc1cc(C#N)nc(C2CC2)n1)N1CCCC[C@@H]1C ZINC000601103852 346753159 /nfs/dbraw/zinc/75/31/59/346753159.db2.gz JQZQOUSWESIVSS-STQMWFEESA-N 0 3 299.422 2.322 20 30 CEEDHN N#Cc1cnc(N[C@H]2CCN(C3CC3)C2)c2sccc21 ZINC000601108231 346754481 /nfs/dbraw/zinc/75/44/81/346754481.db2.gz JJEKTELXNRODOE-NSHDSACASA-N 0 3 284.388 2.238 20 30 CEEDHN CN1CCC[C@H]1CNc1ncc(C#N)c2ccsc21 ZINC000601109290 346755358 /nfs/dbraw/zinc/75/53/58/346755358.db2.gz UFHGCPCIYVOLNE-NSHDSACASA-N 0 3 272.377 2.096 20 30 CEEDHN COC1(CNCc2cccc(C#N)n2)CCCCC1 ZINC000602616920 347104428 /nfs/dbraw/zinc/10/44/28/347104428.db2.gz RPSMULLYPAGICA-UHFFFAOYSA-N 0 3 259.353 2.392 20 30 CEEDHN C[C@@H]1CN(c2ncc(C#N)c3ccsc32)C[C@H](C)N1 ZINC000601196589 346784413 /nfs/dbraw/zinc/78/44/13/346784413.db2.gz OXHXSKZOLIDWPF-AOOOYVTPSA-N 0 3 272.377 2.355 20 30 CEEDHN CN1CCC(n2cc(Nc3ncccc3C#N)cn2)CC1 ZINC000601227565 346795803 /nfs/dbraw/zinc/79/58/03/346795803.db2.gz VIDATKXZGMZASJ-UHFFFAOYSA-N 0 3 282.351 2.160 20 30 CEEDHN N#CC1CCC(NCc2ncnn2-c2ccccc2)CC1 ZINC000602639495 347117844 /nfs/dbraw/zinc/11/78/44/347117844.db2.gz JSIDAIKLVGRDCB-UHFFFAOYSA-N 0 3 281.363 2.439 20 30 CEEDHN C[C@@H](CCC#N)CN1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000602675611 347136832 /nfs/dbraw/zinc/13/68/32/347136832.db2.gz MYNRPFMCBRXJSX-DOTOQJQBSA-N 0 3 299.418 2.359 20 30 CEEDHN C=C(CC)CNCc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602680606 347141819 /nfs/dbraw/zinc/14/18/19/347141819.db2.gz FNRCYDQGFJVQKK-UHFFFAOYSA-N 0 3 279.384 2.431 20 30 CEEDHN COCCN(Cc1c(C)nn(C)c1C)C[C@@H](C)CCC#N ZINC000602688775 347148397 /nfs/dbraw/zinc/14/83/97/347148397.db2.gz AFCVAEIVWNCWQB-ZDUSSCGKSA-N 0 3 292.427 2.425 20 30 CEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(CO)cc1 ZINC000602697844 347153797 /nfs/dbraw/zinc/15/37/97/347153797.db2.gz AVSMXSKMNRNGOW-AWEZNQCLSA-N 0 3 288.391 2.367 20 30 CEEDHN N#Cc1cccc(CNC[C@@H]2COc3ccccc32)n1 ZINC000602665814 347131505 /nfs/dbraw/zinc/13/15/05/347131505.db2.gz VZLNHGZRBLKGKM-GFCCVEGCSA-N 0 3 265.316 2.219 20 30 CEEDHN C[C@H]1OCC[C@@H]1CN1CCN(c2ccccc2C#N)CC1 ZINC000602769846 347190569 /nfs/dbraw/zinc/19/05/69/347190569.db2.gz IYWMBVMAELDMBW-GDBMZVCRSA-N 0 3 285.391 2.105 20 30 CEEDHN CC(C)(CN1CCN(CCC#N)CC1)c1ccccc1 ZINC000602748622 347184152 /nfs/dbraw/zinc/18/41/52/347184152.db2.gz NXMYLFOMBJDXNX-UHFFFAOYSA-N 0 3 271.408 2.495 20 30 CEEDHN COC(=O)[C@@]1(C)CN(CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000602929150 347249849 /nfs/dbraw/zinc/24/98/49/347249849.db2.gz GZZSCICFIHNWMI-GUYCJALGSA-N 0 3 289.350 2.308 20 30 CEEDHN C[C@@H]1CN([C@@H]2C[C@@H]2c2ccccc2)C[C@H](C)N1CC#N ZINC000602848665 347223352 /nfs/dbraw/zinc/22/33/52/347223352.db2.gz HRHZFZDUMFODRC-YALNPMBYSA-N 0 3 269.392 2.461 20 30 CEEDHN C[C@@H]1CN(CCc2ccc3c(c2)CCO3)C[C@@H](C)N1CC#N ZINC000602854290 347226411 /nfs/dbraw/zinc/22/64/11/347226411.db2.gz BIFXTHOYNHXKEX-HUUCEWRRSA-N 0 3 299.418 2.082 20 30 CEEDHN CCN1[C@H](C)CN(CCOc2ccccc2C#N)C[C@@H]1C ZINC000602873281 347233953 /nfs/dbraw/zinc/23/39/53/347233953.db2.gz GLKUOUCPRWHQGU-GASCZTMLSA-N 0 3 287.407 2.352 20 30 CEEDHN CN1CCN(C[C@H](C#N)CCC#N)C[C@@H]1C(C)(C)C ZINC000602873561 347234230 /nfs/dbraw/zinc/23/42/30/347234230.db2.gz KZCLECZZRJCNRN-UONOGXRCSA-N 0 3 262.401 2.092 20 30 CEEDHN COC(=O)c1cccc(CN(C)Cc2cn[nH]c2C)c1C#N ZINC000602942227 347253274 /nfs/dbraw/zinc/25/32/74/347253274.db2.gz LZFUHQQSEOUOCY-UHFFFAOYSA-N 0 3 298.346 2.008 20 30 CEEDHN C[C@@H](O)CCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908217 347244134 /nfs/dbraw/zinc/24/41/34/347244134.db2.gz ZWLVGNMIDXHGDT-CYBMUJFWSA-N 0 3 273.380 2.294 20 30 CEEDHN COCc1cc(C#N)ccc1N[C@H]1CCN(C2CC2)C1 ZINC000603279651 347327844 /nfs/dbraw/zinc/32/78/44/347327844.db2.gz RDUOPGAKARHYAC-AWEZNQCLSA-N 0 3 271.364 2.353 20 30 CEEDHN COCc1cc(C#N)ccc1N1CC[C@H](N2CC=CC2)C1 ZINC000603302224 347332549 /nfs/dbraw/zinc/33/25/49/347332549.db2.gz DRUGEKYEQGCGPO-INIZCTEOSA-N 0 3 283.375 2.155 20 30 CEEDHN CCC[C@@H](N)c1cn(Cc2cn3ccccc3c2C#N)nn1 ZINC000603195674 347304709 /nfs/dbraw/zinc/30/47/09/347304709.db2.gz XXOXDPMKCGUAKQ-CQSZACIVSA-N 0 3 294.362 2.251 20 30 CEEDHN N#Cc1ccc(Cn2cc(CNC3CCCCC3)nn2)nc1 ZINC000603221141 347313211 /nfs/dbraw/zinc/31/32/11/347313211.db2.gz DBJJBGMREGPOMG-UHFFFAOYSA-N 0 3 296.378 2.015 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@H](C)C(C)(C)C ZINC000603873267 347393953 /nfs/dbraw/zinc/39/39/53/347393953.db2.gz FZAAGJWMEHOPPR-QWHCGFSZSA-N 0 3 267.417 2.361 20 30 CEEDHN C[C@H](Cc1cccs1)NCc1cnc2c(C#N)cnn2c1 ZINC000603893181 347396644 /nfs/dbraw/zinc/39/66/44/347396644.db2.gz RTBLCAKRHICBDP-LLVKDONJSA-N 0 3 297.387 2.383 20 30 CEEDHN N#Cc1cccc(CNCCNC(=O)c2ccccc2)c1 ZINC000065979367 362847738 /nfs/dbraw/zinc/84/77/38/362847738.db2.gz SNFCSEYWVYRNPT-UHFFFAOYSA-N 0 3 279.343 2.078 20 30 CEEDHN CCN(CC(=O)NCc1ccc(C#N)cc1)C1CCC1 ZINC000610001866 347657443 /nfs/dbraw/zinc/65/74/43/347657443.db2.gz IRSFMHDDPKPIIT-UHFFFAOYSA-N 0 3 271.364 2.049 20 30 CEEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)C(=O)N(C)C ZINC000611394462 347773208 /nfs/dbraw/zinc/77/32/08/347773208.db2.gz KEIRQPQMXZQEPW-IAQYHMDHSA-N 0 3 271.364 2.002 20 30 CEEDHN CN(CCC1CCOCC1)Cc1ccnc(C#N)c1 ZINC000610994086 347728925 /nfs/dbraw/zinc/72/89/25/347728925.db2.gz LRWOWTRCUPPIGD-UHFFFAOYSA-N 0 3 259.353 2.202 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000611237854 347756004 /nfs/dbraw/zinc/75/60/04/347756004.db2.gz UGXMDWQGDKHDQG-KRWDZBQOSA-N 0 3 286.375 2.338 20 30 CEEDHN CC(C#N)C(=O)N1CCC(OCc2ccccc2F)CC1 ZINC000611261773 347760384 /nfs/dbraw/zinc/76/03/84/347760384.db2.gz XRBSDAWCHOQHJW-LBPRGKRZSA-N 0 3 290.338 2.493 20 30 CEEDHN C[C@H](c1ccccc1)[C@@H](CO)NCc1ccnc(C#N)c1 ZINC000613390202 348036918 /nfs/dbraw/zinc/03/69/18/348036918.db2.gz ZRUKUGJGOYYJOV-CXAGYDPISA-N 0 3 281.359 2.207 20 30 CEEDHN COC(=O)[C@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614160884 348152562 /nfs/dbraw/zinc/15/25/62/348152562.db2.gz PVCCJIXLTPFKJT-AWEZNQCLSA-N 0 3 286.375 2.483 20 30 CEEDHN Cc1occc1C(=O)NC1CCN(CCCCC#N)CC1 ZINC000066890042 362892622 /nfs/dbraw/zinc/89/26/22/362892622.db2.gz PQFSXIDYOLTWPE-UHFFFAOYSA-N 0 3 289.379 2.476 20 30 CEEDHN C=CCCOCCCCC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000617552323 348727719 /nfs/dbraw/zinc/72/77/19/348727719.db2.gz LLQWBLGHEVJQJA-OAHLLOKOSA-N 0 3 282.428 2.302 20 30 CEEDHN C[C@H](Cn1cccn1)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618806052 349044629 /nfs/dbraw/zinc/04/46/29/349044629.db2.gz MZNUKPGUICAYSM-MLGOLLRUSA-N 0 3 266.348 2.420 20 30 CEEDHN C[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)[C@H]1C ZINC000339562998 215244912 /nfs/dbraw/zinc/24/49/12/215244912.db2.gz QCJZZRZPOBUXIV-NEPJUHHUSA-N 0 3 257.337 2.227 20 30 CEEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C(N)=O)cc1 ZINC000618741422 349034549 /nfs/dbraw/zinc/03/45/49/349034549.db2.gz FZBLCFQZFZGLCD-QGZVFWFLSA-N 0 3 291.354 2.434 20 30 CEEDHN C[C@H]1C[C@@H](Nc2cncc(C#N)n2)CN1Cc1ccccc1 ZINC000401185896 233181244 /nfs/dbraw/zinc/18/12/44/233181244.db2.gz FAIAWHHLMZANAK-DZGCQCFKSA-N 0 3 293.374 2.423 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000618985382 349086161 /nfs/dbraw/zinc/08/61/61/349086161.db2.gz IMIQHMBGJDLLFW-NVXWUHKLSA-N 0 3 296.455 2.452 20 30 CEEDHN CC(C)[C@@H](C(=O)N[C@H]1CCc2cc(C#N)ccc21)N(C)C ZINC000618890079 349060977 /nfs/dbraw/zinc/06/09/77/349060977.db2.gz AQDHWXCDOPGTEU-HOTGVXAUSA-N 0 3 285.391 2.248 20 30 CEEDHN Cc1cc(CN2CC([C@H]3CCOC3)C2)ccc1C#N ZINC000619432190 349179676 /nfs/dbraw/zinc/17/96/76/349179676.db2.gz FAOICXZGJNIJIG-HNNXBMFYSA-N 0 3 256.349 2.335 20 30 CEEDHN CC(C)C1CN(C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000619506701 349190307 /nfs/dbraw/zinc/19/03/07/349190307.db2.gz SLGAVSANLWLDQV-MRXNPFEDSA-N 0 3 288.391 2.080 20 30 CEEDHN C=CCOc1ccccc1C(=O)N[C@@H]1CCN(CCC)C1 ZINC000619896228 349246619 /nfs/dbraw/zinc/24/66/19/349246619.db2.gz RJKMJCGZPMDTCM-CQSZACIVSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCC(CC=C)C(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000271219308 191008600 /nfs/dbraw/zinc/00/86/00/191008600.db2.gz ZPMMRKZSDHFOJC-KGLIPLIRSA-N 0 3 282.453 2.259 20 30 CEEDHN CN(CCc1cnccn1)Cc1cccc(C#N)c1 ZINC000271304945 191063730 /nfs/dbraw/zinc/06/37/30/191063730.db2.gz GFOHODKQCZDXPJ-UHFFFAOYSA-N 0 3 252.321 2.023 20 30 CEEDHN C[C@H]1[C@H](CO)CCCN1CCOc1ccccc1C#N ZINC000412080967 233332363 /nfs/dbraw/zinc/33/23/63/233332363.db2.gz LUEDUQKCUYATOK-ZFWWWQNUSA-N 0 3 274.364 2.030 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cccc(C)n2)CC1 ZINC000106037032 186099059 /nfs/dbraw/zinc/09/90/59/186099059.db2.gz URHGGANOKLWXSH-UHFFFAOYSA-N 0 3 273.380 2.160 20 30 CEEDHN C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C)cc2[O-])CC1 ZINC000106291240 186106835 /nfs/dbraw/zinc/10/68/35/186106835.db2.gz BPBLBLWIJWEROK-UHFFFAOYSA-N 0 3 288.391 2.471 20 30 CEEDHN C[C@H](CNC(=O)Nc1cccc(C#N)c1)N(C)C1CC1 ZINC000069223886 362957932 /nfs/dbraw/zinc/95/79/32/362957932.db2.gz GJENYPIDZLMUCA-LLVKDONJSA-N 0 3 272.352 2.162 20 30 CEEDHN C=CCCN(Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000625391583 350488508 /nfs/dbraw/zinc/48/85/08/350488508.db2.gz FRRSDJIPYGMUCP-INIZCTEOSA-N 0 3 261.365 2.216 20 30 CEEDHN C=CCOc1ccc(CN2CCC[C@@H]2CO)cc1OC ZINC000092470914 180392897 /nfs/dbraw/zinc/39/28/97/180392897.db2.gz ZPFOFIKEUVZCDE-CQSZACIVSA-N 0 3 277.364 2.217 20 30 CEEDHN C=CC[C@H]1CCN(CCCS(=O)(=O)C(C)C)C1 ZINC000625700190 350549079 /nfs/dbraw/zinc/54/90/79/350549079.db2.gz ICDFWLBXFDNAKJ-ZDUSSCGKSA-N 0 3 259.415 2.098 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)C1 ZINC000625699747 350549511 /nfs/dbraw/zinc/54/95/11/350549511.db2.gz GRDNZJQQCHSLOG-SOUVJXGZSA-N 0 3 264.413 2.389 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)NCc2cccc(OC)c2)C1 ZINC000625702831 350550495 /nfs/dbraw/zinc/55/04/95/350550495.db2.gz XGIXYPMACIQGRN-AWEZNQCLSA-N 0 3 288.391 2.209 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C)C1 ZINC000625704599 350551342 /nfs/dbraw/zinc/55/13/42/350551342.db2.gz VEXSXQNHICDOQQ-KBPBESRZSA-N 0 3 250.386 2.285 20 30 CEEDHN N#CCNC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000108851926 186233523 /nfs/dbraw/zinc/23/35/23/186233523.db2.gz VHVQAPSIAKMLPI-CQSZACIVSA-N 0 3 277.755 2.020 20 30 CEEDHN C=CC(C)(C)CCNC(=O)CC1CCN(C)CC1 ZINC000628314252 351058453 /nfs/dbraw/zinc/05/84/53/351058453.db2.gz RYUIBALDOHJQOI-UHFFFAOYSA-N 0 3 252.402 2.437 20 30 CEEDHN C=CC[C@H]1CCN(Cc2cnc(N3CCCC3)nc2)C1 ZINC000628405564 351093704 /nfs/dbraw/zinc/09/37/04/351093704.db2.gz OOUVIZLXIZVPCS-AWEZNQCLSA-N 0 3 272.396 2.475 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1N1CCC[C@H](N(C)C)C1 ZINC000131230581 366033420 /nfs/dbraw/zinc/03/34/20/366033420.db2.gz QZUYWGMLXSSULM-AWEZNQCLSA-N 0 3 271.364 2.291 20 30 CEEDHN C#CCCCCN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000123046782 187068129 /nfs/dbraw/zinc/06/81/29/187068129.db2.gz XLMUGPRPTCPVNY-AWEZNQCLSA-N 0 3 279.405 2.242 20 30 CEEDHN CCN(CC(=O)N(CCC#N)CCC#N)C1CCCCC1 ZINC000070943431 363102890 /nfs/dbraw/zinc/10/28/90/363102890.db2.gz CVIQILOTNRFMMO-UHFFFAOYSA-N 0 3 290.411 2.297 20 30 CEEDHN C#CCSCCNCc1ccc(N2CCCC2)nc1 ZINC000132907285 187654137 /nfs/dbraw/zinc/65/41/37/187654137.db2.gz IJJBNCKWFOVNTJ-UHFFFAOYSA-N 0 3 275.421 2.138 20 30 CEEDHN C[C@@H](C(=O)N1CCN(C)CC[C@@H]1C)c1cccc(C#N)c1 ZINC000336475019 213344590 /nfs/dbraw/zinc/34/45/90/213344590.db2.gz HFFOEPOJUAPDFE-UONOGXRCSA-N 0 3 285.391 2.214 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H]1CCc2c1c(F)ccc2F ZINC000273495061 192175128 /nfs/dbraw/zinc/17/51/28/192175128.db2.gz XNSIIWXVQGSLPW-TVQRCGJNSA-N 0 3 253.292 2.479 20 30 CEEDHN N#Cc1ccc(O[C@@H]2CCN(CCc3ccncc3)C2)nc1 ZINC000292250400 198217506 /nfs/dbraw/zinc/21/75/06/198217506.db2.gz QTLBWEXBFRALPU-MRXNPFEDSA-N 0 3 294.358 2.044 20 30 CEEDHN C=CCN(C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000155728482 188224312 /nfs/dbraw/zinc/22/43/12/188224312.db2.gz HDIKLMOORBFMEI-AWEZNQCLSA-N 0 3 275.396 2.334 20 30 CEEDHN C=C(Cl)CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000157018209 188293519 /nfs/dbraw/zinc/29/35/19/188293519.db2.gz FPIDJUHKEMKIMC-CMPLNLGQSA-N 0 3 252.745 2.191 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N(C)CC1CCCCC1 ZINC000074158683 363301708 /nfs/dbraw/zinc/30/17/08/363301708.db2.gz LTIWRLBWAOHYTD-ZDUSSCGKSA-N 0 3 265.401 2.259 20 30 CEEDHN C[C@@H](C(=O)NCc1cccc(C#N)c1)N1CCCCCC1 ZINC000074435234 363338014 /nfs/dbraw/zinc/33/80/14/363338014.db2.gz YVGSDWVPEYLNCC-AWEZNQCLSA-N 0 3 285.391 2.439 20 30 CEEDHN C=CCOCCCN1C[C@@H](O)C[C@H]1c1cccc(OC)c1 ZINC000337414400 366147930 /nfs/dbraw/zinc/14/79/30/366147930.db2.gz QNVRHIZTFSMMTC-RDJZCZTQSA-N 0 3 291.391 2.396 20 30 CEEDHN CN(C)[C@@H](CNc1cnc(C#N)cn1)c1ccccc1 ZINC000132961352 366184885 /nfs/dbraw/zinc/18/48/85/366184885.db2.gz GKCRJLGMFLPMFM-AWEZNQCLSA-N 0 3 267.336 2.063 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NCc2ccccc2Cn2cncn2)C1 ZINC000337826461 366176825 /nfs/dbraw/zinc/17/68/25/366176825.db2.gz WHSLTLJNEBCPPM-PBHICJAKSA-N 0 3 295.390 2.498 20 30 CEEDHN CC[C@@H]1C[C@H](C)CN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000075022997 363436307 /nfs/dbraw/zinc/43/63/07/363436307.db2.gz IIYUCPUWQHSXDM-GUTXKFCHSA-N 0 3 265.401 2.161 20 30 CEEDHN N#CCSCCCN(CCC1CCCCC1)CC(N)=O ZINC000074990369 363431454 /nfs/dbraw/zinc/43/14/54/363431454.db2.gz HIYIDNXPSZPMMN-UHFFFAOYSA-N 0 3 297.468 2.391 20 30 CEEDHN C[C@@H](NC[C@@]1(O)CCSC1)c1cccc(C#N)c1 ZINC000271852852 191367624 /nfs/dbraw/zinc/36/76/24/191367624.db2.gz IXAKZOFEUDADCQ-RISCZKNCSA-N 0 3 262.378 2.077 20 30 CEEDHN N#Cc1cc(F)ccc1N1CCCN(C2CC2)CC1 ZINC000174708636 283098881 /nfs/dbraw/zinc/09/88/81/283098881.db2.gz XBZUAOMBROUQIJ-UHFFFAOYSA-N 0 3 259.328 2.372 20 30 CEEDHN N#Cc1ccc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1 ZINC000334976985 283129266 /nfs/dbraw/zinc/12/92/66/283129266.db2.gz IDEFCYHBJCSNFX-OAHLLOKOSA-N 0 3 283.375 2.305 20 30 CEEDHN N#Cc1ccc(CN[C@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000172068025 283148839 /nfs/dbraw/zinc/14/88/39/283148839.db2.gz FPQCEROIFRETFD-DLBZAZTESA-N 0 3 264.328 2.306 20 30 CEEDHN CC(C#N)C(=O)NCCOCc1ccc(Cl)cc1 ZINC000338266841 366261877 /nfs/dbraw/zinc/26/18/77/366261877.db2.gz MXBVEKSNIGKHMZ-JTQLQIEISA-N 0 3 266.728 2.132 20 30 CEEDHN COCCOC[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000075949815 363501142 /nfs/dbraw/zinc/50/11/42/363501142.db2.gz WIAWOMNVSOCLTP-MRXNPFEDSA-N 0 3 274.364 2.043 20 30 CEEDHN N#Cc1cnc(N2CC[C@@H](N3CCCCC3)C2)c(F)c1 ZINC000413134454 283233979 /nfs/dbraw/zinc/23/39/79/283233979.db2.gz LIRLIWCZRLTDFM-CYBMUJFWSA-N 0 3 274.343 2.157 20 30 CEEDHN N#Cc1c(F)cccc1CN1CCN(C2CCC2)CC1 ZINC000336306983 213148512 /nfs/dbraw/zinc/14/85/12/213148512.db2.gz NUMQMGHCYKFSFE-UHFFFAOYSA-N 0 3 273.355 2.367 20 30 CEEDHN COCC1CCC(NCc2nc(C#N)cs2)CC1 ZINC000414510858 236394868 /nfs/dbraw/zinc/39/48/68/236394868.db2.gz JCAJVYRQKJLETE-UHFFFAOYSA-N 0 3 265.382 2.310 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000135106583 366395104 /nfs/dbraw/zinc/39/51/04/366395104.db2.gz JTOUSCVGAUAJAE-HUBLWGQQSA-N 0 3 250.386 2.330 20 30 CEEDHN C[C@@H]1CSC[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000577734697 366388643 /nfs/dbraw/zinc/38/86/43/366388643.db2.gz GKCLLQPRWMFPCF-BXKDBHETSA-N 0 3 277.349 2.308 20 30 CEEDHN CN(C[C@H]1CCCN1C)c1c(C#N)nnc2ccccc21 ZINC000577851485 366406118 /nfs/dbraw/zinc/40/61/18/366406118.db2.gz BGAWXPFFAABSBF-GFCCVEGCSA-N 0 3 281.363 2.032 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@H](c2nnc[nH]2)C1 ZINC000578351664 366482147 /nfs/dbraw/zinc/48/21/47/366482147.db2.gz RLJUDWXYUKMASU-AWEZNQCLSA-N 0 3 284.363 2.359 20 30 CEEDHN COCC#CCN[C@H](C)c1ccc(OC)c(OC)c1C ZINC000672576837 540628310 /nfs/dbraw/zinc/62/83/10/540628310.db2.gz WWUPKZFWJDVCNZ-CYBMUJFWSA-N 0 3 277.364 2.313 20 30 CEEDHN C[C@@H]1C[C@@H]1N1C[C@@H](N[C@H]2CCc3ccc(C#N)cc32)CC1=O ZINC000579652365 366677580 /nfs/dbraw/zinc/67/75/80/366677580.db2.gz ZQNRPHJTVKTVJW-UMPQAUOISA-N 0 3 295.386 2.144 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)/C=C/c2ccccc2C#N)CN1C1CC1 ZINC000177088459 189028269 /nfs/dbraw/zinc/02/82/69/189028269.db2.gz FRVMDUUPDQXLAS-LWSBZWIYSA-N 0 3 295.386 2.313 20 30 CEEDHN N#Cc1ccccc1N1CCCN(CCCF)CC1 ZINC000178302139 189105168 /nfs/dbraw/zinc/10/51/68/189105168.db2.gz XITDPWGLURKLJB-UHFFFAOYSA-N 0 3 261.344 2.430 20 30 CEEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000178430204 189115885 /nfs/dbraw/zinc/11/58/85/189115885.db2.gz WNNHNQKLYJNZIX-CQSZACIVSA-N 0 3 299.418 2.495 20 30 CEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc(C#N)cc2)C1 ZINC000178527015 189124616 /nfs/dbraw/zinc/12/46/16/189124616.db2.gz FASIZGLZCHGMEL-IAGOWNOFSA-N 0 3 297.402 2.043 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)NCc1ccc(C#N)cc1 ZINC000178719006 189140243 /nfs/dbraw/zinc/14/02/43/189140243.db2.gz IBKPAHSXMVQSEA-UHFFFAOYSA-N 0 3 288.395 2.040 20 30 CEEDHN C=CC[C@H](C)NC(=O)N[C@H](CC)CN1CCCC1 ZINC000675196515 540815783 /nfs/dbraw/zinc/81/57/83/540815783.db2.gz BOLMBYARKKZNKO-QWHCGFSZSA-N 0 3 253.390 2.125 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC23CCC3)CC1 ZINC000675326309 540829229 /nfs/dbraw/zinc/82/92/29/540829229.db2.gz FEECFTCIOALENC-AWEZNQCLSA-N 0 3 262.397 2.333 20 30 CEEDHN C#CCN[C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000180026042 189233203 /nfs/dbraw/zinc/23/32/03/189233203.db2.gz AZAWJDLBVZVEFV-GWCFXTLKSA-N 0 3 258.321 2.080 20 30 CEEDHN C=CCC[C@H](NCC(=O)N1CCOCC1)c1ccccc1 ZINC000180047389 189234405 /nfs/dbraw/zinc/23/44/05/189234405.db2.gz BMRHBLFXAYBAPT-INIZCTEOSA-N 0 3 288.391 2.142 20 30 CEEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc(C#N)c[nH]1 ZINC000181027360 189286773 /nfs/dbraw/zinc/28/67/73/189286773.db2.gz SBXUPBJSGGOEDX-ZDUSSCGKSA-N 0 3 296.374 2.137 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)CCCn1ccnc1 ZINC000181089507 189288449 /nfs/dbraw/zinc/28/84/49/189288449.db2.gz LDVCRVBWBKXUGV-UHFFFAOYSA-N 0 3 284.363 2.285 20 30 CEEDHN CC(C)N1C[C@@H](N[C@H]2CCc3ccc(C#N)cc32)CC1=O ZINC000580015951 366736661 /nfs/dbraw/zinc/73/66/61/366736661.db2.gz JOJMKQGYOYEDFK-HOCLYGCPSA-N 0 3 283.375 2.144 20 30 CEEDHN COC1CCN(CCNc2ccc(C#N)cc2F)CC1 ZINC000301555420 201067746 /nfs/dbraw/zinc/06/77/46/201067746.db2.gz RZELFLXYCXSDDO-UHFFFAOYSA-N 0 3 277.343 2.220 20 30 CEEDHN COCC#CCN1CCC[C@H]1Cn1cnc2ccccc21 ZINC000678312004 541114366 /nfs/dbraw/zinc/11/43/66/541114366.db2.gz NOJMOLKZDOPTDT-HNNXBMFYSA-N 0 3 283.375 2.151 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)NCCN1CCC(OC)CC1 ZINC000678921574 541191243 /nfs/dbraw/zinc/19/12/43/541191243.db2.gz IEYFQFTVNBRSNT-AWEZNQCLSA-N 0 3 297.443 2.141 20 30 CEEDHN C=CCOCCNCc1cn(C)nc1-c1ccccc1 ZINC000679486461 541280011 /nfs/dbraw/zinc/28/00/11/541280011.db2.gz MWBDJYSTNVMMAF-UHFFFAOYSA-N 0 3 271.364 2.379 20 30 CEEDHN N#Cc1cccc(CNCc2ccnc(-n3ccnc3)c2)c1 ZINC000237847240 370754523 /nfs/dbraw/zinc/75/45/23/370754523.db2.gz SLDWTQOUVLFTMM-UHFFFAOYSA-N 0 3 289.342 2.429 20 30 CEEDHN Cc1cn2c(n1)CC[C@@H](NCc1ccc(C#N)cc1)C2 ZINC000237885455 370757387 /nfs/dbraw/zinc/75/73/87/370757387.db2.gz INFACCZHOPBFDM-OAHLLOKOSA-N 0 3 266.348 2.168 20 30 CEEDHN CC1(CNC2CC(C#N)(c3ccccc3)C2)COC1 ZINC000094721640 364291184 /nfs/dbraw/zinc/29/11/84/364291184.db2.gz VLTJTQAYPFSYGW-UHFFFAOYSA-N 0 3 256.349 2.236 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCC2(CCCC2)CC1 ZINC000158357675 366855594 /nfs/dbraw/zinc/85/55/94/366855594.db2.gz FRSWRYNELXKZEX-ZDUSSCGKSA-N 0 3 293.411 2.043 20 30 CEEDHN CC#CCN1C[C@@H](C(=O)NCCCC)CC[C@H]1C ZINC000157792323 366849206 /nfs/dbraw/zinc/84/92/06/366849206.db2.gz CUGPMCUJCWOGLU-KGLIPLIRSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CCNC(=O)[C@H](C)N(C)CCC1CCCCC1 ZINC000101565756 364562391 /nfs/dbraw/zinc/56/23/91/364562391.db2.gz KBTPYWQOJBCPPD-ZDUSSCGKSA-N 0 3 250.386 2.027 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N(C)CCC1CCCCC1 ZINC000101565723 364562555 /nfs/dbraw/zinc/56/25/55/364562555.db2.gz DHYNZELWYUPSJP-ZDUSSCGKSA-N 0 3 295.427 2.289 20 30 CEEDHN NC(=O)C[C@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000158476891 366857439 /nfs/dbraw/zinc/85/74/39/366857439.db2.gz LYUFLZKTONQSCQ-OAHLLOKOSA-N 0 3 290.794 2.421 20 30 CEEDHN C=CCCC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000102336161 364589957 /nfs/dbraw/zinc/58/99/57/364589957.db2.gz MXWARBPFJIJNNG-OAHLLOKOSA-N 0 3 260.381 2.242 20 30 CEEDHN C[C@H]1[C@@H](CO)CCCN1Cc1cc(C#N)cs1 ZINC000335633809 212348186 /nfs/dbraw/zinc/34/81/86/212348186.db2.gz NUTFJSVHPOYTDX-CMPLNLGQSA-N 0 3 250.367 2.213 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(C)(C)C#N)C(C)C ZINC000112919923 364857089 /nfs/dbraw/zinc/85/70/89/364857089.db2.gz PRBXSPBGDVCTBW-AWEZNQCLSA-N 0 3 277.412 2.351 20 30 CEEDHN Cc1cc(CN2CC[C@H](C(=O)N3CCCC3)C2)ccc1C#N ZINC000335959141 365219980 /nfs/dbraw/zinc/21/99/80/365219980.db2.gz HOHYTIKTCPKSBF-KRWDZBQOSA-N 0 3 297.402 2.311 20 30 CEEDHN Cc1cc(CN2CC[C@@H](C(=O)N3CCCC3)C2)ccc1C#N ZINC000335959143 365220155 /nfs/dbraw/zinc/22/01/55/365220155.db2.gz HOHYTIKTCPKSBF-QGZVFWFLSA-N 0 3 297.402 2.311 20 30 CEEDHN CC1(C)CN(CCOc2ccccc2C#N)CC[C@@H]1O ZINC000275392391 193020244 /nfs/dbraw/zinc/02/02/44/193020244.db2.gz CRUHMFPXMMWNLD-HNNXBMFYSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(C#N)cc2)CN1C1CC1 ZINC000119842272 365334207 /nfs/dbraw/zinc/33/42/07/365334207.db2.gz XLUGLPOYQPHXEZ-SMDDNHRTSA-N 0 3 284.363 2.305 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)C[C@@H]1CCCOC1 ZINC000120908755 365493609 /nfs/dbraw/zinc/49/36/09/365493609.db2.gz FYKJRZAXVMVBTI-AWEZNQCLSA-N 0 3 274.364 2.425 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000582419156 366909372 /nfs/dbraw/zinc/90/93/72/366909372.db2.gz NDYDASNRYTZUTF-SECBINFHSA-N 0 3 286.257 2.060 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)o1 ZINC000159592668 366929730 /nfs/dbraw/zinc/92/97/30/366929730.db2.gz SHPFTWHDOATYQN-MJBXVCDLSA-N 0 3 258.321 2.198 20 30 CEEDHN Cc1cc(NC[C@@H]2CCCCN2C2CC2)c(C#N)cn1 ZINC000582841362 366966484 /nfs/dbraw/zinc/96/64/84/366966484.db2.gz SKVFJHGAUPCPSU-HNNXBMFYSA-N 0 3 270.380 2.112 20 30 CEEDHN CN(C(=O)C(C#N)CCc1ccccc1)[C@@H]1CCCOC1 ZINC000340897828 367079345 /nfs/dbraw/zinc/07/93/45/367079345.db2.gz KHOQTZCOJNGMHL-HZPDHXFCSA-N 0 3 286.375 2.396 20 30 CEEDHN N#Cc1cnn2cc(CN3C[C@H](C4CC4)[C@H]3C3CC3)cnc12 ZINC000584530093 367169657 /nfs/dbraw/zinc/16/96/57/367169657.db2.gz LEZPHQUTOPVRFK-HZPDHXFCSA-N 0 3 293.374 2.221 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@]1(OC)CCOC1 ZINC000638917991 370840892 /nfs/dbraw/zinc/84/08/92/370840892.db2.gz LGXALXAJOAOGGE-OAHLLOKOSA-N 0 3 265.353 2.116 20 30 CEEDHN Cn1cc([C@H]2CN(Cc3ccc(C#N)cn3)CC2(C)C)cn1 ZINC000584419051 367156229 /nfs/dbraw/zinc/15/62/29/367156229.db2.gz SYZFQCRJWKWCTF-MRXNPFEDSA-N 0 3 295.390 2.312 20 30 CEEDHN C[C@@H](Nc1cc(C#N)ncn1)[C@@H](c1ccccc1)N(C)C ZINC000588037191 367190254 /nfs/dbraw/zinc/19/02/54/367190254.db2.gz UTQZIVHKIOGZGR-WBMJQRKESA-N 0 3 281.363 2.452 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)CCCCCC#N)CCN1C ZINC000588382446 367193518 /nfs/dbraw/zinc/19/35/18/367193518.db2.gz SWTBBFAACGFBNX-KBPBESRZSA-N 0 3 265.401 2.402 20 30 CEEDHN C[C@H]1C[C@@H]1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000357948924 370849363 /nfs/dbraw/zinc/84/93/63/370849363.db2.gz NNXUXELQKBTNDV-WMLDXEAASA-N 0 3 299.418 2.495 20 30 CEEDHN C=CC[C@H](CO)CNCc1ccn(-c2ccccc2)n1 ZINC000341259923 367251817 /nfs/dbraw/zinc/25/18/17/367251817.db2.gz MCRRNABJZUSHGU-AWEZNQCLSA-N 0 3 271.364 2.147 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cnc(C)n1-c1ccccc1 ZINC000341322815 367285699 /nfs/dbraw/zinc/28/56/99/367285699.db2.gz OOHISIPOWDZZFP-OAHLLOKOSA-N 0 3 285.391 2.455 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000342395653 367405298 /nfs/dbraw/zinc/40/52/98/367405298.db2.gz CYZDJCRFEBLHBZ-KGLIPLIRSA-N 0 3 267.417 2.324 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000342476275 367413459 /nfs/dbraw/zinc/41/34/59/367413459.db2.gz UYHACJSPTLUVCE-OASPWFOLSA-N 0 3 278.739 2.446 20 30 CEEDHN CC(C#N)C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000342549743 367419958 /nfs/dbraw/zinc/41/99/58/367419958.db2.gz PGMIGSDQVUZGDX-SECBINFHSA-N 0 3 264.275 2.272 20 30 CEEDHN C=CC[C@H](C)[C@@H](C)[NH2+]Cc1nnc(C2CCOCC2)[n-]1 ZINC000631697109 367489019 /nfs/dbraw/zinc/48/90/19/367489019.db2.gz XGPZXLGPWBNSQM-NWDGAFQWSA-N 0 3 278.400 2.389 20 30 CEEDHN C=CC[C@H](C)[C@@H](C)NCc1nnc(C2CCOCC2)[nH]1 ZINC000631697109 367489023 /nfs/dbraw/zinc/48/90/23/367489023.db2.gz XGPZXLGPWBNSQM-NWDGAFQWSA-N 0 3 278.400 2.389 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCc2ccoc2)CC1 ZINC000171557061 367566804 /nfs/dbraw/zinc/56/68/04/367566804.db2.gz AUUMPZDNCWXKPI-UHFFFAOYSA-N 0 3 277.368 2.119 20 30 CEEDHN C=CCn1cccc1C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000342749720 367513515 /nfs/dbraw/zinc/51/35/15/367513515.db2.gz ZYIADJLBBSUALE-LSDHHAIUSA-N 0 3 287.407 2.373 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000681479984 541553839 /nfs/dbraw/zinc/55/38/39/541553839.db2.gz LOBICCYMUSGIEJ-IAGOWNOFSA-N 0 3 273.376 2.445 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccc(C)c2O)CC1 ZINC000171566344 367568071 /nfs/dbraw/zinc/56/80/71/367568071.db2.gz UQQSQKNUNGKYNN-UHFFFAOYSA-N 0 3 274.364 2.081 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CC=CCC2)CC1 ZINC000171725995 367603527 /nfs/dbraw/zinc/60/35/27/367603527.db2.gz TWPHQXRMSYBFLD-CQSZACIVSA-N 0 3 277.412 2.292 20 30 CEEDHN N#CCCCCNCc1nccn1CC(F)(F)F ZINC000171764198 367611920 /nfs/dbraw/zinc/61/19/20/367611920.db2.gz XWVVJHGFGOIMCP-UHFFFAOYSA-N 0 3 260.263 2.229 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343438420 367816042 /nfs/dbraw/zinc/81/60/42/367816042.db2.gz AHBDNLXDFLMZJL-TZMCWYRMSA-N 0 3 250.386 2.354 20 30 CEEDHN CCn1ccnc1[C@@H]1OCC[C@H]1NCc1ccc(C#N)cc1 ZINC000343395202 367790208 /nfs/dbraw/zinc/79/02/08/367790208.db2.gz GXQYZDKWBHKGPY-HZPDHXFCSA-N 0 3 296.374 2.394 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343419315 367803495 /nfs/dbraw/zinc/80/34/95/367803495.db2.gz PWIYCWRDQNVBKD-IUODEOHRSA-N 0 3 271.364 2.079 20 30 CEEDHN C=CCCC(C)(C)NS(=O)(=O)CCCN1CCCC1 ZINC000632575420 367842981 /nfs/dbraw/zinc/84/29/81/367842981.db2.gz NPOIFEFRVGUHQZ-UHFFFAOYSA-N 0 3 288.457 2.137 20 30 CEEDHN C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)CCCN1C ZINC000343589458 367901754 /nfs/dbraw/zinc/90/17/54/367901754.db2.gz GWFKPALCOALHGG-GWCFXTLKSA-N 0 3 274.324 2.361 20 30 CEEDHN C=CCC[C@H](NCCN1CCNC1=O)c1ccccc1 ZINC000343737659 367980318 /nfs/dbraw/zinc/98/03/18/367980318.db2.gz RLTHQDNOVNDZOP-HNNXBMFYSA-N 0 3 273.380 2.309 20 30 CEEDHN C=C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000633106457 368059115 /nfs/dbraw/zinc/05/91/15/368059115.db2.gz JZSFTXZDTAZBLG-GOEBONIOSA-N 0 3 287.407 2.443 20 30 CEEDHN COc1cccc(CCNCc2ccc(C#N)o2)c1 ZINC000174273863 368004078 /nfs/dbraw/zinc/00/40/78/368004078.db2.gz OSMWYCWLDWBLJF-UHFFFAOYSA-N 0 3 256.305 2.492 20 30 CEEDHN N#Cc1ccc(CNCCN2CCc3sccc3C2)o1 ZINC000174298580 368006848 /nfs/dbraw/zinc/00/68/48/368006848.db2.gz RXVXBZDKHAMGKP-UHFFFAOYSA-N 0 3 287.388 2.361 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](C2CC2)C1 ZINC000344102330 368108713 /nfs/dbraw/zinc/10/87/13/368108713.db2.gz OAYSRQXTCREHQT-UKRRQHHQSA-N 0 3 277.412 2.117 20 30 CEEDHN CC(C)(C)[C@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000344207028 368115577 /nfs/dbraw/zinc/11/55/77/368115577.db2.gz IJUUMRMXSHOALR-BBRMVZONSA-N 0 3 277.412 2.163 20 30 CEEDHN N#Cc1ccc(CNC[C@H](CO)c2ccccc2)o1 ZINC000175050439 368093918 /nfs/dbraw/zinc/09/39/18/368093918.db2.gz DRHPIQXTPHHEIX-CYBMUJFWSA-N 0 3 256.305 2.017 20 30 CEEDHN C=CCOc1cccc(CN[C@@](C)(CCO)COC)c1 ZINC000175857704 368184203 /nfs/dbraw/zinc/18/42/03/368184203.db2.gz QRPFEPFHVRALSR-INIZCTEOSA-N 0 3 279.380 2.129 20 30 CEEDHN Cc1cc(CN2CCC[C@@H]2CN2CCOCC2)ccc1C#N ZINC000345237991 368203071 /nfs/dbraw/zinc/20/30/71/368203071.db2.gz OBVFLZUZFUCWGW-GOSISDBHSA-N 0 3 299.418 2.163 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cc[nH]c2C)CC1 ZINC000176285681 368219508 /nfs/dbraw/zinc/21/95/08/368219508.db2.gz RTRPHKAKKWZOJL-UHFFFAOYSA-N 0 3 261.369 2.093 20 30 CEEDHN C#CCSCCN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000181100257 368420965 /nfs/dbraw/zinc/42/09/65/368420965.db2.gz PGSZPMHMNMKXET-NSHDSACASA-N 0 3 263.362 2.432 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@H](C)C(C)(C)c1ccccc1 ZINC000181777311 368494440 /nfs/dbraw/zinc/49/44/40/368494440.db2.gz MQHIGXNFBMABCX-UONOGXRCSA-N 0 3 272.392 2.080 20 30 CEEDHN CCOC(=O)C[C@H](C)N(C)Cc1ccc(F)c(C#N)c1 ZINC000182644013 368574320 /nfs/dbraw/zinc/57/43/20/368574320.db2.gz YWOOZOHNQSBYSA-NSHDSACASA-N 0 3 278.327 2.471 20 30 CEEDHN CCOC(=O)C[C@H](C)N(C)CCOc1cccc(C#N)c1 ZINC000182651894 368575124 /nfs/dbraw/zinc/57/51/24/368575124.db2.gz CMMKFXGPUKIQFI-ZDUSSCGKSA-N 0 3 290.363 2.211 20 30 CEEDHN C[C@H](NC(=O)C(C#N)c1nc2ccccc2n1C)C1CC1 ZINC000358098242 370905619 /nfs/dbraw/zinc/90/56/19/370905619.db2.gz SAXJVOWCKGYNKB-JQWIXIFHSA-N 0 3 282.347 2.095 20 30 CEEDHN N#C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000246237568 370933526 /nfs/dbraw/zinc/93/35/26/370933526.db2.gz IIAIGTVKMWPEMJ-DLBZAZTESA-N 0 3 297.402 2.317 20 30 CEEDHN C[C@H](C[S@](C)=O)N(C)CCCOc1cccc(C#N)c1 ZINC000185122766 368751846 /nfs/dbraw/zinc/75/18/46/368751846.db2.gz RQBCFJIHNMXSOK-XCLFUZPHSA-N 0 3 294.420 2.026 20 30 CEEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000185813712 368866297 /nfs/dbraw/zinc/86/62/97/368866297.db2.gz MJJSPDHRHDSSCV-SQWLQELKSA-N 0 3 283.375 2.464 20 30 CEEDHN C[C@H](CN(C)C)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000348067245 368883364 /nfs/dbraw/zinc/88/33/64/368883364.db2.gz SMQTXAIMLSJGIV-SECBINFHSA-N 0 3 280.759 2.283 20 30 CEEDHN C#C[C@@H](C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000185970995 368896462 /nfs/dbraw/zinc/89/64/62/368896462.db2.gz CJBZPWIJOYVLGI-GDBMZVCRSA-N 0 3 285.391 2.144 20 30 CEEDHN N#Cc1cccc(CN2CCC(Cn3cncn3)CC2)c1 ZINC000186257498 368947204 /nfs/dbraw/zinc/94/72/04/368947204.db2.gz ALVSWQLRHACRJL-UHFFFAOYSA-N 0 3 281.363 2.062 20 30 CEEDHN CC(C)(NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccs1 ZINC000348307185 368995089 /nfs/dbraw/zinc/99/50/89/368995089.db2.gz LQKPJPDCABPEDS-HNNXBMFYSA-N 0 3 291.420 2.381 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000348437768 369046837 /nfs/dbraw/zinc/04/68/37/369046837.db2.gz FPGQTWUMDKLHTH-SOUVJXGZSA-N 0 3 294.439 2.395 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc2nccnc2c1 ZINC000634983164 369013966 /nfs/dbraw/zinc/01/39/66/369013966.db2.gz HAQJHOLKXVKQGX-ZBFHGGJFSA-N 0 3 269.348 2.453 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000186695037 369022672 /nfs/dbraw/zinc/02/26/72/369022672.db2.gz MXEXUMCCTSHGLK-CMPLNLGQSA-N 0 3 250.298 2.182 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000186704571 369023898 /nfs/dbraw/zinc/02/38/98/369023898.db2.gz JBDYMABPLIMMIW-AAEUAGOBSA-N 0 3 263.337 2.045 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000186704589 369024280 /nfs/dbraw/zinc/02/42/80/369024280.db2.gz JBDYMABPLIMMIW-YPMHNXCESA-N 0 3 263.337 2.045 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@H](COCC)C(C)C ZINC000348448578 369048899 /nfs/dbraw/zinc/04/88/99/369048899.db2.gz WMTQTGXAEFOQEX-CQSZACIVSA-N 0 3 270.417 2.062 20 30 CEEDHN C=CCOc1ccc(CN2C[C@H](O)C(C)(C)C2)cc1 ZINC000448371705 261133051 /nfs/dbraw/zinc/13/30/51/261133051.db2.gz FKEBBFTYIBTTSU-HNNXBMFYSA-N 0 3 261.365 2.454 20 30 CEEDHN C(#Cc1ccccc1)CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000683003011 541749437 /nfs/dbraw/zinc/74/94/37/541749437.db2.gz RXAZXARCMMWOSC-LJQANCHMSA-N 0 3 298.430 2.225 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000349095662 369242001 /nfs/dbraw/zinc/24/20/01/369242001.db2.gz CGFICZSVXLMLDC-INIZCTEOSA-N 0 3 285.391 2.391 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000349746204 369384960 /nfs/dbraw/zinc/38/49/60/369384960.db2.gz OYRPAHLZEPJXTH-RISCZKNCSA-N 0 3 292.379 2.241 20 30 CEEDHN COc1cc(OC)c(OC)cc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000349792412 369401909 /nfs/dbraw/zinc/40/19/09/369401909.db2.gz SKDUMVLFMYQOAH-YPMHNXCESA-N 0 3 290.363 2.494 20 30 CEEDHN CCc1nn(C)c(CC)c1CN[C@H]1CC[C@H](C#N)C1 ZINC000349814258 369407856 /nfs/dbraw/zinc/40/78/56/369407856.db2.gz SFOQXTWCXQSILO-RYUDHWBXSA-N 0 3 260.385 2.327 20 30 CEEDHN Cc1nc(C)c(C#N)c(SC[C@@H](C)N(C)C)n1 ZINC000330863246 203325799 /nfs/dbraw/zinc/32/57/99/203325799.db2.gz ALFPEDQNEWJPKO-MRVPVSSYSA-N 0 3 250.371 2.007 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246659732 370990666 /nfs/dbraw/zinc/99/06/66/370990666.db2.gz LOWJVVHPDMLUNQ-XHSDSOJGSA-N 0 3 292.423 2.076 20 30 CEEDHN CC[C@@]1(CO)CCCN1CCOc1ccccc1C#N ZINC000189678493 369559427 /nfs/dbraw/zinc/55/94/27/369559427.db2.gz ZSXVMZRZRUMMFG-INIZCTEOSA-N 0 3 274.364 2.174 20 30 CEEDHN C=CCCN(C)CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000276447897 193334827 /nfs/dbraw/zinc/33/48/27/193334827.db2.gz PESPSGWXKOLFEN-UHFFFAOYSA-N 0 3 289.379 2.459 20 30 CEEDHN C=CCC[C@H](O)CN1C[C@@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000351472116 369636578 /nfs/dbraw/zinc/63/65/78/369636578.db2.gz OFEXAICSTOGNRM-XHSDSOJGSA-N 0 3 282.428 2.035 20 30 CEEDHN Cc1ccc(NC(=O)C(C#N)c2ccncn2)cc1 ZINC000352306997 369669134 /nfs/dbraw/zinc/66/91/34/369669134.db2.gz QEMWVSBTWXPPDI-LBPRGKRZSA-N 0 3 252.277 2.031 20 30 CEEDHN C=CCN(CCN1CCOC[C@H]1C)Cc1ccccc1 ZINC000191396403 369709644 /nfs/dbraw/zinc/70/96/44/369709644.db2.gz YUSSFOSGBKHYIE-MRXNPFEDSA-N 0 3 274.408 2.395 20 30 CEEDHN C=CCN(CCN1CCO[C@H](C)C1)Cc1ccccc1 ZINC000191396362 369709792 /nfs/dbraw/zinc/70/97/92/369709792.db2.gz AVGBHAZPPMFSPH-MRXNPFEDSA-N 0 3 274.408 2.395 20 30 CEEDHN C=CCN(CCOC)CCOc1ccc(OC)cc1 ZINC000191143884 369683472 /nfs/dbraw/zinc/68/34/72/369683472.db2.gz DNSZQDQYBYMHIG-UHFFFAOYSA-N 0 3 265.353 2.208 20 30 CEEDHN C=CCN(CCOC)C(=O)c1ccc(CN(C)C)cc1 ZINC000191977580 369760280 /nfs/dbraw/zinc/76/02/80/369760280.db2.gz MRXUCIHHNZKSOY-UHFFFAOYSA-N 0 3 276.380 2.023 20 30 CEEDHN C#CCCCC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000192296164 369792284 /nfs/dbraw/zinc/79/22/84/369792284.db2.gz LBRUXJFRIXGFLX-HNNXBMFYSA-N 0 3 270.376 2.309 20 30 CEEDHN C=CCNC(=O)CSCCN(C)Cc1ccccc1 ZINC000193617718 369962708 /nfs/dbraw/zinc/96/27/08/369962708.db2.gz TYOLFAYGQLSCEG-UHFFFAOYSA-N 0 3 278.421 2.154 20 30 CEEDHN C=CCCC(C)(C)NC(=O)NC[C@H]1CCCN1C ZINC000637379058 369922942 /nfs/dbraw/zinc/92/29/42/369922942.db2.gz COWAJSXIPNDWCW-GFCCVEGCSA-N 0 3 253.390 2.125 20 30 CEEDHN CN(C)CCN(C(=O)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000195233947 370116984 /nfs/dbraw/zinc/11/69/84/370116984.db2.gz HUORRULGQVSIST-UHFFFAOYSA-N 0 3 299.418 2.434 20 30 CEEDHN N#Cc1cccc(CNC(=O)C2CCN(C3CC3)CC2)c1 ZINC000195336274 370126247 /nfs/dbraw/zinc/12/62/47/370126247.db2.gz VOWIKLPSWPFPQW-UHFFFAOYSA-N 0 3 283.375 2.049 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000354091235 370213518 /nfs/dbraw/zinc/21/35/18/370213518.db2.gz GXJQBVVGPUZROZ-UHFFFAOYSA-N 0 3 297.402 2.142 20 30 CEEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)c1cc[nH]c(=O)c1 ZINC000354132409 370229590 /nfs/dbraw/zinc/22/95/90/370229590.db2.gz WSCDMPCFTMLMAB-NSHDSACASA-N 0 3 293.330 2.157 20 30 CEEDHN C[C@H](O)C1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000225787579 370317801 /nfs/dbraw/zinc/31/78/01/370317801.db2.gz KNCXDJCJRZPPPT-ZDUSSCGKSA-N 0 3 274.364 2.030 20 30 CEEDHN C=C(C)COCCNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000354457049 370372405 /nfs/dbraw/zinc/37/24/05/370372405.db2.gz DQJCVLCWDNONES-LSDHHAIUSA-N 0 3 297.443 2.141 20 30 CEEDHN CCC(CC)[C@@H](O)CNCc1ccc(OC)c(C#N)c1 ZINC000230659194 370461011 /nfs/dbraw/zinc/46/10/11/370461011.db2.gz QVELVGRQPYVKCY-HNNXBMFYSA-N 0 3 276.380 2.454 20 30 CEEDHN COc1cc(CN[C@H](C)CSC)ccc1C#N ZINC000234788465 370542779 /nfs/dbraw/zinc/54/27/79/370542779.db2.gz QWNAVBZJWODAOK-SNVBAGLBSA-N 0 3 250.367 2.408 20 30 CEEDHN COc1cc(CN[C@]2(C)CCO[C@@H]2C)ccc1C#N ZINC000234958493 370552207 /nfs/dbraw/zinc/55/22/07/370552207.db2.gz HOFKVEGLAVFTEF-IAQYHMDHSA-N 0 3 260.337 2.224 20 30 CEEDHN N#Cc1ccc(F)c(CN[C@H]2CCO[C@H]2C2CC2)c1 ZINC000236155643 370584625 /nfs/dbraw/zinc/58/46/25/370584625.db2.gz XOCLCLXXSYLUNN-GJZGRUSLSA-N 0 3 260.312 2.354 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@]2(CCCOC2)C1 ZINC000355782688 370615310 /nfs/dbraw/zinc/61/53/10/370615310.db2.gz MPRMOUAQNVNXCF-QGZVFWFLSA-N 0 3 292.423 2.080 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000246741541 371002495 /nfs/dbraw/zinc/00/24/95/371002495.db2.gz MSRIIBPRXMPEKP-DVOMOZLQSA-N 0 3 277.412 2.305 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)c2cnccc2C#N)c1 ZINC000358380849 371040118 /nfs/dbraw/zinc/04/01/18/371040118.db2.gz GLPBYRFWJWFOID-UHFFFAOYSA-N 0 3 280.331 2.267 20 30 CEEDHN C=CCC[C@H](O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000247409917 371104442 /nfs/dbraw/zinc/10/44/42/371104442.db2.gz MNFVBFSAKLPERC-CWRNSKLLSA-N 0 3 291.391 2.454 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)N[C@@H](C)CN(C)C ZINC000358534317 371106325 /nfs/dbraw/zinc/10/63/25/371106325.db2.gz VSNQNYQSNXMTID-LBPRGKRZSA-N 0 3 281.425 2.396 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccn(C(F)F)c1=O ZINC000639232566 371127230 /nfs/dbraw/zinc/12/72/30/371127230.db2.gz LOUWYFUNANWIPD-NEPJUHHUSA-N 0 3 284.306 2.067 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000248533756 371206750 /nfs/dbraw/zinc/20/67/50/371206750.db2.gz ZFTLDNGZZQWOKA-BVRBVLIYSA-N 0 3 267.394 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286.379 2.364 20 30 CEEDHN C=CCOCCCC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000361777968 372067924 /nfs/dbraw/zinc/06/79/24/372067924.db2.gz ZYQAFLAMZDWBKZ-GASCZTMLSA-N 0 3 282.428 2.348 20 30 CEEDHN C[C@H](NC[C@H]1CN2CCCC[C@H]2CO1)c1ccc(C#N)cc1 ZINC000361794527 372074786 /nfs/dbraw/zinc/07/47/86/372074786.db2.gz BJPXNKLJAWRMFH-WBAXXEDZSA-N 0 3 299.418 2.462 20 30 CEEDHN C=CCN1CCC(N[C@H](C)c2cnc(C)nc2C)CC1 ZINC000268909089 372282203 /nfs/dbraw/zinc/28/22/03/372282203.db2.gz SOYXKSDBKLZVAT-CYBMUJFWSA-N 0 3 274.412 2.394 20 30 CEEDHN C[C@H](NCCc1cnccn1)c1cccc(C#N)c1 ZINC000344329380 217153147 /nfs/dbraw/zinc/15/31/47/217153147.db2.gz MQLRSBPCVHKQHI-LBPRGKRZSA-N 0 3 252.321 2.242 20 30 CEEDHN Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCC1=CCN(C)CC1 ZINC000329222198 227360391 /nfs/dbraw/zinc/36/03/91/227360391.db2.gz VZPHKOPALJQOOW-LLVKDONJSA-N 0 3 290.411 2.359 20 30 CEEDHN N#Cc1ccc(CNCCCOC2CCOCC2)c(F)c1 ZINC000269458163 372456673 /nfs/dbraw/zinc/45/66/73/372456673.db2.gz XHUBXPPVZSNBQS-UHFFFAOYSA-N 0 3 292.354 2.373 20 30 CEEDHN CC#CC[C@H](CO)NCc1cnc(CC(C)C)s1 ZINC000641767640 372706232 /nfs/dbraw/zinc/70/62/32/372706232.db2.gz NEVBMGZVSOAJHD-GFCCVEGCSA-N 0 3 266.410 2.206 20 30 CEEDHN CC#CC[C@H](CO)NCc1cncc(Br)c1C ZINC000641767530 372706437 /nfs/dbraw/zinc/70/64/37/372706437.db2.gz LTDHYQWBESIMPQ-GFCCVEGCSA-N 0 3 297.196 2.016 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccccc1OCC1CC1 ZINC000641768514 372708264 /nfs/dbraw/zinc/70/82/64/372708264.db2.gz BCAWGUCECXYKOG-INIZCTEOSA-N 0 3 273.376 2.339 20 30 CEEDHN CO[C@H]1C[C@H](NCc2cnc3ccc(C#N)cn23)C1(C)C ZINC000344716525 217285844 /nfs/dbraw/zinc/28/58/44/217285844.db2.gz SHZGYCLCIPEXOE-KBPBESRZSA-N 0 3 284.363 2.109 20 30 CEEDHN C=CCN1CCC(NC(=O)CCCC2CC2)CC1 ZINC000643199630 372967955 /nfs/dbraw/zinc/96/79/55/372967955.db2.gz PHWLEFOHEATGEV-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN CC#CCNCCN(C)C(=O)c1ccc(Cl)s1 ZINC001267027768 803067543 /nfs/dbraw/zinc/06/75/43/803067543.db2.gz XRKIHEQYFUGKJH-UHFFFAOYSA-N 0 3 270.785 2.086 20 30 CEEDHN CN1CCN(Cc2cc(C#N)ccc2F)C(C)(C)C1 ZINC000271060512 373099360 /nfs/dbraw/zinc/09/93/60/373099360.db2.gz SHOCJQNQKXQGSK-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000366950452 373129766 /nfs/dbraw/zinc/12/97/66/373129766.db2.gz FBSFTDPRBOQFIG-CABCVRRESA-N 0 3 280.412 2.054 20 30 CEEDHN N#Cc1ccc(CN2CCC(c3ncc[nH]3)CC2)o1 ZINC000271203796 373180126 /nfs/dbraw/zinc/18/01/26/373180126.db2.gz RJONSLQOATXZPV-UHFFFAOYSA-N 0 3 256.309 2.254 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(CCCC)CCCO ZINC000271699366 373198681 /nfs/dbraw/zinc/19/86/81/373198681.db2.gz HBULBKXSMXOWCX-OAHLLOKOSA-N 0 3 282.428 2.060 20 30 CEEDHN C[C@@H](NCCn1ccnc1)c1ccc(C#N)c(F)c1 ZINC000271940728 373227534 /nfs/dbraw/zinc/22/75/34/373227534.db2.gz OSHKUWXPWOBUTN-LLVKDONJSA-N 0 3 258.300 2.245 20 30 CEEDHN C=CCOc1cccc(NC(=O)[C@@H]2CNCCC2(F)F)c1 ZINC000644016205 373341202 /nfs/dbraw/zinc/34/12/02/373341202.db2.gz ULIDSDKKRRKIJS-ZDUSSCGKSA-N 0 3 296.317 2.435 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000344982713 217377737 /nfs/dbraw/zinc/37/77/37/217377737.db2.gz RJPBDKXIBMZXPP-TZMCWYRMSA-N 0 3 286.379 2.471 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@H]([C@H](C)O)C2)cc1OC ZINC000272477495 373507060 /nfs/dbraw/zinc/50/70/60/373507060.db2.gz BNDWWRCOOYQWDU-ZFWWWQNUSA-N 0 3 291.391 2.463 20 30 CEEDHN COc1ccc(CN[C@@H]2CCc3nc(C)cn3C2)cc1C#N ZINC000369690421 373489633 /nfs/dbraw/zinc/48/96/33/373489633.db2.gz SWIOIBPUGDAXRO-OAHLLOKOSA-N 0 3 296.374 2.176 20 30 CEEDHN C=C(CNC[C@@H](O)COCC(C)C)c1ccccc1 ZINC000644647343 373580042 /nfs/dbraw/zinc/58/00/42/373580042.db2.gz RHXLVJSCHRKVTD-MRXNPFEDSA-N 0 3 263.381 2.323 20 30 CEEDHN C=CCOCCNC[C@@H](O)COc1cc(C)ccc1Cl ZINC000644618070 373563800 /nfs/dbraw/zinc/56/38/00/373563800.db2.gz XLIODYGOTUMUIB-CYBMUJFWSA-N 0 3 299.798 2.180 20 30 CEEDHN CN1C[C@@H]2CCN(CC#Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000644736667 373642718 /nfs/dbraw/zinc/64/27/18/373642718.db2.gz QKOSEMAEWOUSBP-GOEBONIOSA-N 0 3 274.795 2.327 20 30 CEEDHN C=CCN(CCc1ccco1)C(=O)C1CCN(C)CC1 ZINC000272679321 373612399 /nfs/dbraw/zinc/61/23/99/373612399.db2.gz VEAQURQRXKIHSQ-UHFFFAOYSA-N 0 3 276.380 2.179 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H](C)CCc1ccccc1 ZINC000272800386 373661515 /nfs/dbraw/zinc/66/15/15/373661515.db2.gz BFSKWSXWYYSCLF-AWEZNQCLSA-N 0 3 281.421 2.198 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H]1c2ccccc2C[C@H]1C ZINC000272914334 373708032 /nfs/dbraw/zinc/70/80/32/373708032.db2.gz XEOLBYCQNOOSRF-DOMZBBRYSA-N 0 3 279.405 2.110 20 30 CEEDHN Cc1cc(CNCCOC[C@H]2CCCO2)ccc1C#N ZINC000573667060 299449910 /nfs/dbraw/zinc/44/99/10/299449910.db2.gz ZEJBKZFNZAAEHM-MRXNPFEDSA-N 0 3 274.364 2.152 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCS[C@@H]2C)CC1 ZINC000645212614 373923633 /nfs/dbraw/zinc/92/36/33/373923633.db2.gz NJXODTCDICSEOM-TZMCWYRMSA-N 0 3 297.468 2.220 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000372015816 374023620 /nfs/dbraw/zinc/02/36/20/374023620.db2.gz NUQADWAOPSUZLA-VBNZEHGJSA-N 0 3 288.366 2.189 20 30 CEEDHN C=CCS(=O)(=O)CCNC1CC(c2cccc(C)c2)C1 ZINC000371804701 373982324 /nfs/dbraw/zinc/98/23/24/373982324.db2.gz ZGSAJZKIMLTIOB-UHFFFAOYSA-N 0 3 293.432 2.431 20 30 CEEDHN C=CCC[C@H](C)NCc1cccc(N2CCOCC2)n1 ZINC000274736537 374030773 /nfs/dbraw/zinc/03/07/73/374030773.db2.gz DFKJGQUBEYONHL-AWEZNQCLSA-N 0 3 275.396 2.363 20 30 CEEDHN CC#CC[C@H](CO)Nc1cc(C)nc2ccccc21 ZINC000645402738 374032096 /nfs/dbraw/zinc/03/20/96/374032096.db2.gz FQLRDIZKKHEHLU-CYBMUJFWSA-N 0 3 254.333 2.151 20 30 CEEDHN C#CCOc1ccccc1NC(=O)NCC1=CCN(C)CC1 ZINC000274830838 374064562 /nfs/dbraw/zinc/06/45/62/374064562.db2.gz HJCHBULGUAFHGG-UHFFFAOYSA-N 0 3 299.374 2.082 20 30 CEEDHN Cn1cc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1C#N ZINC000276805899 374308464 /nfs/dbraw/zinc/30/84/64/374308464.db2.gz WQUSEYFXBQMKDJ-GJZGRUSLSA-N 0 3 275.396 2.126 20 30 CEEDHN C#CCCN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000277098115 374402473 /nfs/dbraw/zinc/40/24/73/374402473.db2.gz SUTLINQPCBTCKK-UKRRQHHQSA-N 0 3 294.757 2.364 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@H]1CNc2ccnn2C1 ZINC000684197238 541942740 /nfs/dbraw/zinc/94/27/40/541942740.db2.gz BSPVKPLIYWGZRK-CQSZACIVSA-N 0 3 286.379 2.249 20 30 CEEDHN N#Cc1ccc(CN2CCCC[C@H]2C(=N)NO)c(F)c1 ZINC000374171083 374503938 /nfs/dbraw/zinc/50/39/38/374503938.db2.gz DHABFIIBVXVQTA-ZDUSSCGKSA-N 0 3 276.315 2.008 20 30 CEEDHN N#Cc1ccncc1NC[C@@H]1CCCCN1C1CC1 ZINC000277546206 374561135 /nfs/dbraw/zinc/56/11/35/374561135.db2.gz XFIPIEUYMXJDCW-AWEZNQCLSA-N 0 3 256.353 2.382 20 30 CEEDHN CN(CCC#N)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000375384418 374656021 /nfs/dbraw/zinc/65/60/21/374656021.db2.gz NJWRMWKLIUKGFE-QGZVFWFLSA-N 0 3 287.407 2.123 20 30 CEEDHN N#CCSCCCN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375434213 374657460 /nfs/dbraw/zinc/65/74/60/374657460.db2.gz CBFCLWJVLOUKJW-LBPRGKRZSA-N 0 3 292.408 2.383 20 30 CEEDHN C[C@@H]1COCCN(CCCC2(C#N)CCOCC2)C1 ZINC000375606021 374664411 /nfs/dbraw/zinc/66/44/11/374664411.db2.gz GGAHQNZVEBQDBD-AWEZNQCLSA-N 0 3 266.385 2.055 20 30 CEEDHN C=CCCCCCN1CCN([C@@H]2CCOC2)CC1 ZINC000375730169 374673694 /nfs/dbraw/zinc/67/36/94/374673694.db2.gz JFXYXZYFLTUAAU-OAHLLOKOSA-N 0 3 252.402 2.139 20 30 CEEDHN N#Cc1ccc(CC(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000277956387 374694031 /nfs/dbraw/zinc/69/40/31/374694031.db2.gz PHGZGVPXFSATGF-QGZVFWFLSA-N 0 3 297.402 2.234 20 30 CEEDHN C[C@H]1CN(CCCNc2ccc(C#N)cc2)CCCO1 ZINC000278257207 374762938 /nfs/dbraw/zinc/76/29/38/374762938.db2.gz VGELNTNCZGTOIF-AWEZNQCLSA-N 0 3 273.380 2.471 20 30 CEEDHN C=CCCCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000279437256 374874948 /nfs/dbraw/zinc/87/49/48/374874948.db2.gz ZWHBOVCCZTWENS-UHFFFAOYSA-N 0 3 279.384 2.319 20 30 CEEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2)[C@]12CCCO2 ZINC000378576552 375129679 /nfs/dbraw/zinc/12/96/79/375129679.db2.gz CJQQWSZMQZXVIK-GVDBMIGSSA-N 0 3 286.375 2.374 20 30 CEEDHN C=CCOc1cccc(CN2C[C@@H](O)C(C)(C)C2)c1 ZINC000280599313 375256813 /nfs/dbraw/zinc/25/68/13/375256813.db2.gz YAUIAELZXNERGS-OAHLLOKOSA-N 0 3 261.365 2.454 20 30 CEEDHN CC[C@@H]1[C@H](CO)CCN1Cc1cccc(C#N)c1F ZINC000386329468 375258607 /nfs/dbraw/zinc/25/86/07/375258607.db2.gz VEXSIFHMKMSCAO-UONOGXRCSA-N 0 3 262.328 2.290 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000407993973 375392146 /nfs/dbraw/zinc/39/21/46/375392146.db2.gz XEDKKNZHWIXWRP-YPMHNXCESA-N 0 3 289.339 2.120 20 30 CEEDHN C=CCOc1ccccc1CNCC1(N(C)C)CC1 ZINC000397926225 375344968 /nfs/dbraw/zinc/34/49/68/375344968.db2.gz OAQHNQOETSZDHQ-UHFFFAOYSA-N 0 3 260.381 2.435 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@@H](C)C[C@H](CO)C1 ZINC000398623506 375353031 /nfs/dbraw/zinc/35/30/31/375353031.db2.gz GVJAKGDARUWABW-JSGCOSHPSA-N 0 3 274.364 2.017 20 30 CEEDHN C[C@H](CNc1ccncc1C#N)N(C)Cc1ccccc1 ZINC000399437013 375364122 /nfs/dbraw/zinc/36/41/22/375364122.db2.gz NGERVDMDPBKQKL-CQSZACIVSA-N 0 3 280.375 2.308 20 30 CEEDHN COc1cc(CN(CC(C)(C)O)C2CC2)ccc1C#N ZINC000282112935 375406801 /nfs/dbraw/zinc/40/68/01/375406801.db2.gz AHIVTVMTASTUOQ-UHFFFAOYSA-N 0 3 274.364 2.302 20 30 CEEDHN C=C(C)CN1CCC(N[C@@H](C)c2ccn(C)n2)CC1 ZINC000414114274 375796002 /nfs/dbraw/zinc/79/60/02/375796002.db2.gz LKZZFLGNEAFDHZ-ZDUSSCGKSA-N 0 3 262.401 2.111 20 30 CEEDHN C[C@H](N[C@H](CO)C[C@@H](O)C(C)(C)C)c1cccc(C#N)c1 ZINC000284125791 375813900 /nfs/dbraw/zinc/81/39/00/375813900.db2.gz CQXBCOPFOXUFFA-VBNZEHGJSA-N 0 3 290.407 2.367 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H](CO)C2)c(F)c1 ZINC000414578067 375865938 /nfs/dbraw/zinc/86/59/38/375865938.db2.gz PFYHHGSVHJWGQF-TZMCWYRMSA-N 0 3 262.328 2.338 20 30 CEEDHN CCCN(CCN1CCCCC1)c1cnc(C#N)cn1 ZINC000286541954 375986980 /nfs/dbraw/zinc/98/69/80/375986980.db2.gz ZGTCVXOZENLEDU-UHFFFAOYSA-N 0 3 273.384 2.051 20 30 CEEDHN CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)CN(C)C ZINC000287159391 376162436 /nfs/dbraw/zinc/16/24/36/376162436.db2.gz WKSIQXXIHUNASH-NSHDSACASA-N 0 3 290.367 2.029 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N[C@@H]1CNCCC1(F)F ZINC000417993921 376225478 /nfs/dbraw/zinc/22/54/78/376225478.db2.gz YGMGGLLAVRCCSL-GHMZBOCLSA-N 0 3 275.343 2.028 20 30 CEEDHN C[C@@H](NCC(C)(C)OCCO)c1ccc(C#N)c(F)c1 ZINC000287429131 376230363 /nfs/dbraw/zinc/23/03/63/376230363.db2.gz STMOSZDCMLKXJR-LLVKDONJSA-N 0 3 280.343 2.135 20 30 CEEDHN C=C(C)CCNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000418237766 376244285 /nfs/dbraw/zinc/24/42/85/376244285.db2.gz DJPKNDRTHWRZAH-OAHLLOKOSA-N 0 3 273.380 2.139 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@@H](N)c1ccccc1CC ZINC000418658097 376317537 /nfs/dbraw/zinc/31/75/37/376317537.db2.gz VJVASDZDYAKBEM-OAHLLOKOSA-N 0 3 275.396 2.466 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)C(C)(C)C#N)CCN1Cc1ccccc1 ZINC000288013439 376361089 /nfs/dbraw/zinc/36/10/89/376361089.db2.gz BYNQMILYQARJHB-ZFWWWQNUSA-N 0 3 285.391 2.315 20 30 CEEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)[C@H](C)CN1CCO ZINC000419325729 376441325 /nfs/dbraw/zinc/44/13/25/376441325.db2.gz BGGMINAAFFNVJJ-HUUCEWRRSA-N 0 3 281.444 2.093 20 30 CEEDHN C[C@H](NC[C@H](O)COCC1CC1)c1ccc(C#N)c(F)c1 ZINC000305843644 376516785 /nfs/dbraw/zinc/51/67/85/376516785.db2.gz RWXQEZJQWDQYGF-NHYWBVRUSA-N 0 3 292.354 2.135 20 30 CEEDHN CCN(CCn1cncn1)[C@H](C)c1ccc(C#N)cc1 ZINC000264151507 190093110 /nfs/dbraw/zinc/09/31/10/190093110.db2.gz WDVITHNZRJVLDN-CYBMUJFWSA-N 0 3 269.352 2.233 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000264201355 190096493 /nfs/dbraw/zinc/09/64/93/190096493.db2.gz PPYNLZDTXWOPPU-MLGOLLRUSA-N 0 3 288.366 2.394 20 30 CEEDHN CCN1CCCN(Cc2cccc(C#N)c2F)CC1 ZINC000307896038 376573236 /nfs/dbraw/zinc/57/32/36/376573236.db2.gz LFUQSVGZVOFXBN-UHFFFAOYSA-N 0 3 261.344 2.225 20 30 CEEDHN C=C(C)CN1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000264456617 190111225 /nfs/dbraw/zinc/11/12/25/190111225.db2.gz DWGWVKMKLGHZJD-UHFFFAOYSA-N 0 3 276.340 2.442 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N(C)C[C@H]1CCCN1C ZINC000420820013 376722107 /nfs/dbraw/zinc/72/21/07/376722107.db2.gz GYUSZKIYQPSONF-ZIAGYGMSSA-N 0 3 267.417 2.467 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)NCC(C)(C)CCC#N ZINC000420853952 376726694 /nfs/dbraw/zinc/72/66/94/376726694.db2.gz YRGFZLOSIFHZKB-ZDUSSCGKSA-N 0 3 280.416 2.052 20 30 CEEDHN C[C@@H](Nc1cncc(C#N)n1)[C@@H](c1ccccc1)N(C)C ZINC000420630343 376696949 /nfs/dbraw/zinc/69/69/49/376696949.db2.gz RRGFDVSNGYTTOP-WBMJQRKESA-N 0 3 281.363 2.452 20 30 CEEDHN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(CCOCCC#N)C1 ZINC000421026013 376790740 /nfs/dbraw/zinc/79/07/40/376790740.db2.gz RNJHJUTZJQBRSI-UONOGXRCSA-N 0 3 296.411 2.216 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccc(Br)o1 ZINC000320557106 376824607 /nfs/dbraw/zinc/82/46/07/376824607.db2.gz TUQHAOYGZFODPS-VIFPVBQESA-N 0 3 274.158 2.459 20 30 CEEDHN CCCOCC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328632714 376866558 /nfs/dbraw/zinc/86/65/58/376866558.db2.gz SAPPDOHWWLNXNI-HOCLYGCPSA-N 0 3 291.395 2.458 20 30 CEEDHN C[C@H](NC(=O)NCCN1CCCC[C@@H]1C)[C@@H]1CCCOC1 ZINC000329319431 376944843 /nfs/dbraw/zinc/94/48/43/376944843.db2.gz DPXUMEDZPJRBBW-SOUVJXGZSA-N 0 3 297.443 2.180 20 30 CEEDHN C#CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000290909933 376980211 /nfs/dbraw/zinc/98/02/11/376980211.db2.gz DIDJHMLAPMNLJD-RDJZCZTQSA-N 0 3 299.418 2.314 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCOC3(CCC3)C2)CCN1C ZINC000330210701 377069339 /nfs/dbraw/zinc/06/93/39/377069339.db2.gz IOWZLIHASUGFRX-MCIONIFRSA-N 0 3 295.427 2.074 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)NCCN(C)C1CC1 ZINC000264805811 190135746 /nfs/dbraw/zinc/13/57/46/190135746.db2.gz FOGUBHVUTMKRDV-UHFFFAOYSA-N 0 3 287.407 2.478 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](n3cccn3)C2)cc1 ZINC000291257368 377143435 /nfs/dbraw/zinc/14/34/35/377143435.db2.gz MQVVOVWXGSTFGR-HNNXBMFYSA-N 0 3 252.321 2.202 20 30 CEEDHN C#CCOc1ccc(CN2CC[C@@H](n3cccn3)C2)cc1 ZINC000291285661 377158115 /nfs/dbraw/zinc/15/81/15/377158115.db2.gz PBYGOCFGGKHMAB-MRXNPFEDSA-N 0 3 281.359 2.342 20 30 CEEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCO1 ZINC000330663454 377198546 /nfs/dbraw/zinc/19/85/46/377198546.db2.gz XHBLVRJOQQAABB-HIFRSBDPSA-N 0 3 272.348 2.006 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc(C3CC3)ccn2)CC1 ZINC000291873651 377214958 /nfs/dbraw/zinc/21/49/58/377214958.db2.gz GNGSNIWSVABGTL-UHFFFAOYSA-N 0 3 283.375 2.243 20 30 CEEDHN COCCN1CC[C@H](NC(=O)N[C@H]2CCCCC2(C)C)C1 ZINC000330989945 377226503 /nfs/dbraw/zinc/22/65/03/377226503.db2.gz SDTNCYRPVALQBT-KBPBESRZSA-N 0 3 297.443 2.180 20 30 CEEDHN C[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)C(C)(C)C1 ZINC000331005741 377233571 /nfs/dbraw/zinc/23/35/71/377233571.db2.gz PQFDXSAHIGFQAV-CYBMUJFWSA-N 0 3 285.391 2.295 20 30 CEEDHN Cn1cc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)cc1C#N ZINC000292881510 377331600 /nfs/dbraw/zinc/33/16/00/377331600.db2.gz XRFBBXJJVBYLAD-QWHCGFSZSA-N 0 3 265.307 2.374 20 30 CEEDHN N#Cc1ccc(CN2CCC3(CC2)OCCCO3)cc1 ZINC000292889467 377335766 /nfs/dbraw/zinc/33/57/66/377335766.db2.gz CVOYUSYENNEQDU-UHFFFAOYSA-N 0 3 272.348 2.287 20 30 CEEDHN C#CCN(C)CCCNc1ccnc(C(F)(F)F)c1 ZINC000292934487 377359344 /nfs/dbraw/zinc/35/93/44/377359344.db2.gz ZTCCPBWNASWKSB-UHFFFAOYSA-N 0 3 271.286 2.467 20 30 CEEDHN C=CCOc1ccc(CN(CCOC)[C@H]2CCOC2)cc1 ZINC000426497800 377412250 /nfs/dbraw/zinc/41/22/50/377412250.db2.gz FPDINKIVGIBEAV-INIZCTEOSA-N 0 3 291.391 2.489 20 30 CEEDHN C#CCCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000265025427 190152751 /nfs/dbraw/zinc/15/27/51/190152751.db2.gz YZEGJIYUTOGQRJ-MRXNPFEDSA-N 0 3 298.430 2.469 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000331630111 377489131 /nfs/dbraw/zinc/48/91/31/377489131.db2.gz HWOYEVBGYJWNLW-UXIGCNINSA-N 0 3 263.385 2.058 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@@H](O)[C@@H](C)C1 ZINC000428462905 377493363 /nfs/dbraw/zinc/49/33/63/377493363.db2.gz MHBXGRYPNDLQKP-DZGCQCFKSA-N 0 3 261.365 2.454 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1nc(C(C)C)no1 ZINC000429702359 377520328 /nfs/dbraw/zinc/52/03/28/377520328.db2.gz NRUZNIPSXMAYGG-UHFFFAOYSA-N 0 3 266.389 2.133 20 30 CEEDHN COCC#CCN[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000685595752 542166120 /nfs/dbraw/zinc/16/61/20/542166120.db2.gz ORXBNEKZDGBRLS-HZPDHXFCSA-N 0 3 292.810 2.325 20 30 CEEDHN Cc1noc([C@H]2CCN(Cc3ccc(C#N)cc3)C2)n1 ZINC000332085540 377515592 /nfs/dbraw/zinc/51/55/92/377515592.db2.gz QRDQVMZUVQJPFL-AWEZNQCLSA-N 0 3 268.320 2.239 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H]1CC[C@H](C)C1 ZINC000429574749 377516715 /nfs/dbraw/zinc/51/67/15/377516715.db2.gz BFLRYMPFVUSYJY-MJBXVCDLSA-N 0 3 265.401 2.115 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCCOC2)nc1 ZINC000565370719 377652759 /nfs/dbraw/zinc/65/27/59/377652759.db2.gz KLJMRQCQJUXOBA-GDBMZVCRSA-N 0 3 271.364 2.344 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)c1cscc1C#N ZINC000432710540 377776092 /nfs/dbraw/zinc/77/60/92/377776092.db2.gz TYVFAUYVNZZPBE-LLVKDONJSA-N 0 3 277.393 2.224 20 30 CEEDHN C=CCOc1ccc(CN2CCCN(C)CC2)cc1 ZINC000435232500 377802733 /nfs/dbraw/zinc/80/27/33/377802733.db2.gz MEHJBDHYGUKYBY-UHFFFAOYSA-N 0 3 260.381 2.389 20 30 CEEDHN C[C@H](CNC(=O)[C@@H](C#N)CCc1ccccc1)N(C)C1CC1 ZINC000435930253 377814763 /nfs/dbraw/zinc/81/47/63/377814763.db2.gz WSAYTGHARBXHQK-GDBMZVCRSA-N 0 3 299.418 2.358 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1c(C#N)cccc1C#N ZINC000436411558 377824987 /nfs/dbraw/zinc/82/49/87/377824987.db2.gz QGNWHPSEKREWFW-XHDPSFHLSA-N 0 3 266.348 2.325 20 30 CEEDHN C=C(C)CN(CC)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433472264 377792295 /nfs/dbraw/zinc/79/22/95/377792295.db2.gz VIHQTKHDGRZBSH-OAHLLOKOSA-N 0 3 297.443 2.095 20 30 CEEDHN CN(C(=O)[C@H](C#N)CCc1ccccc1)[C@H]1CCCN(C)C1 ZINC000433365474 377792439 /nfs/dbraw/zinc/79/24/39/377792439.db2.gz PVYVKVVGBLNMTQ-IRXDYDNUSA-N 0 3 299.418 2.312 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)c1ccc(Cl)c(C#N)n1 ZINC000265970666 190219762 /nfs/dbraw/zinc/21/97/62/190219762.db2.gz KVJMZQUSYUMSHD-NSHDSACASA-N 0 3 278.787 2.385 20 30 CEEDHN CC(C)[C@H]1CCCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000444753150 378080567 /nfs/dbraw/zinc/08/05/67/378080567.db2.gz MCMXZZPEIUSBHI-KGLIPLIRSA-N 0 3 265.401 2.115 20 30 CEEDHN C[C@@H]1C[C@]1(C#N)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000448835125 378188603 /nfs/dbraw/zinc/18/86/03/378188603.db2.gz JRYYRPZOFITWSX-MLGOLLRUSA-N 0 3 287.363 2.115 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449549410 378216788 /nfs/dbraw/zinc/21/67/88/378216788.db2.gz XTKBNIQQPUXGPI-OCCSQVGLSA-N 0 3 292.335 2.427 20 30 CEEDHN C=CCCCNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000447947808 378163160 /nfs/dbraw/zinc/16/31/60/378163160.db2.gz IHRQUTXPVVGIMB-UHFFFAOYSA-N 0 3 297.443 2.141 20 30 CEEDHN CCCN(CCN(C)C)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000449972627 378257892 /nfs/dbraw/zinc/25/78/92/378257892.db2.gz OOBHKFFJSYLYFS-INIZCTEOSA-N 0 3 277.412 2.261 20 30 CEEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)[C@@]1(C#N)C[C@H]1C ZINC000450195824 378319450 /nfs/dbraw/zinc/31/94/50/378319450.db2.gz VYXURGNOMLWJLZ-IIAWOOMASA-N 0 3 277.412 2.163 20 30 CEEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H]2COC[C@H]2O)cc1 ZINC000295982523 378381038 /nfs/dbraw/zinc/38/10/38/378381038.db2.gz OVWPDXQBDQJNLW-KCPJHIHWSA-N 0 3 297.782 2.228 20 30 CEEDHN C#CC(C)(C)N(C)CCC(=O)Nc1cccc(OC)c1 ZINC000298019235 378691384 /nfs/dbraw/zinc/69/13/84/378691384.db2.gz BAJWDSJFFHSUSJ-UHFFFAOYSA-N 0 3 274.364 2.367 20 30 CEEDHN C#CCN(C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000298491801 378743905 /nfs/dbraw/zinc/74/39/05/378743905.db2.gz JPGHZAWUKKGWHX-UHFFFAOYSA-N 0 3 250.729 2.234 20 30 CEEDHN C#Cc1ccc(CN2CCS[C@H]3COCC[C@H]32)cc1 ZINC000278481054 194003820 /nfs/dbraw/zinc/00/38/20/194003820.db2.gz AQQHVYHWGFHUIN-CVEARBPZSA-N 0 3 273.401 2.374 20 30 CEEDHN CC[C@H](NCC1(C)OCCO1)c1ccc(C#N)cc1 ZINC000278691128 194104768 /nfs/dbraw/zinc/10/47/68/194104768.db2.gz KLXBYXXZBSJKEN-AWEZNQCLSA-N 0 3 260.337 2.362 20 30 CEEDHN N#CCCC1CCN(C(=O)C[C@H](N)Cc2ccccc2)CC1 ZINC000515303113 379204670 /nfs/dbraw/zinc/20/46/70/379204670.db2.gz URBCBUZFGMCKPJ-QGZVFWFLSA-N 0 3 299.418 2.489 20 30 CEEDHN C[C@H]1CCN(CCOCCC#N)C[C@H]1C(=O)OC(C)(C)C ZINC000516178677 379264052 /nfs/dbraw/zinc/26/40/52/379264052.db2.gz CEOFXUDRVVAECM-UONOGXRCSA-N 0 3 296.411 2.216 20 30 CEEDHN C[C@H]1CC[C@H](C)N(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000266527992 190264039 /nfs/dbraw/zinc/26/40/39/190264039.db2.gz FESOESUMEBWVHB-KBPBESRZSA-N 0 3 285.391 2.295 20 30 CEEDHN CN(C)CCSc1cc(C#N)ccc1[N+](=O)[O-] ZINC000302214075 379330754 /nfs/dbraw/zinc/33/07/54/379330754.db2.gz NWFMGIIQKJHLDN-UHFFFAOYSA-N 0 3 251.311 2.120 20 30 CEEDHN C=CCN1CCC(Nc2c(C#N)cccc2C#N)CC1 ZINC000302672452 379419034 /nfs/dbraw/zinc/41/90/34/379419034.db2.gz LAKWQNDMIAOQRW-UHFFFAOYSA-N 0 3 266.348 2.492 20 30 CEEDHN C=CCN1CCC(Nc2ccc(C)c(C#N)n2)CC1 ZINC000302673633 379419850 /nfs/dbraw/zinc/41/98/50/379419850.db2.gz SPGAADSCOQUIOA-UHFFFAOYSA-N 0 3 256.353 2.324 20 30 CEEDHN C[C@@H](C#N)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000520600295 379492499 /nfs/dbraw/zinc/49/24/99/379492499.db2.gz OHAQZGRUBGOWII-ZDUSSCGKSA-N 0 3 294.358 2.043 20 30 CEEDHN CC(C#N)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000520600295 379492507 /nfs/dbraw/zinc/49/25/07/379492507.db2.gz OHAQZGRUBGOWII-ZDUSSCGKSA-N 0 3 294.358 2.043 20 30 CEEDHN COc1ccc2c(c1)CCCN(CCOCCC#N)C2 ZINC000520763717 379502072 /nfs/dbraw/zinc/50/20/72/379502072.db2.gz UKIAKHAIFHPAKF-UHFFFAOYSA-N 0 3 274.364 2.374 20 30 CEEDHN C#CCN(C[C@@H](O)COC(C)C)[C@H]1CCc2ccccc21 ZINC000304520696 379584194 /nfs/dbraw/zinc/58/41/94/379584194.db2.gz XFYSQLXKBKLTJW-AEFFLSMTSA-N 0 3 287.403 2.395 20 30 CEEDHN C#CCN(CC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000266891567 190288374 /nfs/dbraw/zinc/28/83/74/190288374.db2.gz DANXINBGXXPZHC-UHFFFAOYSA-N 0 3 289.335 2.187 20 30 CEEDHN N#Cc1csc(CNC[C@H](O)Cc2ccccc2)c1 ZINC000304616168 379585893 /nfs/dbraw/zinc/58/58/93/379585893.db2.gz GSTFVTYXRPYBSQ-CQSZACIVSA-N 0 3 272.373 2.313 20 30 CEEDHN CCO[C@@H]1C[C@@H](NC(=O)C(C)C#N)C1(CC)CC ZINC000488131097 380092365 /nfs/dbraw/zinc/09/23/65/380092365.db2.gz UBBCWKYFWJJVRR-QJPTWQEYSA-N 0 3 252.358 2.246 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@@H](O)CC12CCC2 ZINC000333865126 380166528 /nfs/dbraw/zinc/16/65/28/380166528.db2.gz QWFCORBHZIRACV-OAHLLOKOSA-N 0 3 286.375 2.446 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)C1 ZINC000333941740 380187086 /nfs/dbraw/zinc/18/70/86/380187086.db2.gz PGUSZXRMDXDRII-JWDQPFGJSA-N 0 3 283.375 2.288 20 30 CEEDHN COc1ccc([C@H](C)NC(=O)C(C)C#N)c(OC)c1 ZINC000529839033 380188943 /nfs/dbraw/zinc/18/89/43/380188943.db2.gz IYMQBBLWHZWNDF-ZJUUUORDSA-N 0 3 262.309 2.041 20 30 CEEDHN C=CCCC1(C(=O)NCCN2CC[C@H](C)C2)CC1 ZINC000530299757 380199903 /nfs/dbraw/zinc/19/99/03/380199903.db2.gz YWIQSBMJZVAVET-ZDUSSCGKSA-N 0 3 250.386 2.191 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000530335474 380200077 /nfs/dbraw/zinc/20/00/77/380200077.db2.gz VYVRZRVKLXVNLT-MELADBBJSA-N 0 3 275.396 2.059 20 30 CEEDHN C=CCCC1(C(=O)NCCN2CC[C@@H](C)C2)CC1 ZINC000530299756 380200228 /nfs/dbraw/zinc/20/02/28/380200228.db2.gz YWIQSBMJZVAVET-CYBMUJFWSA-N 0 3 250.386 2.191 20 30 CEEDHN CC(C#N)C(=O)N1CCC(N2CCc3ccccc32)CC1 ZINC000334174275 380248252 /nfs/dbraw/zinc/24/82/52/380248252.db2.gz BZLOJRJVTNXJNE-ZDUSSCGKSA-N 0 3 283.375 2.200 20 30 CEEDHN C=CCC[C@H](O)CN(C)Cc1ccc2c(c1)OCCO2 ZINC000532378133 380215012 /nfs/dbraw/zinc/21/50/12/380215012.db2.gz HKZAIIZJAHPGIA-AWEZNQCLSA-N 0 3 277.364 2.217 20 30 CEEDHN C[C@H](CNC(=O)/C=C\c1ccc(C#N)cc1)N(C)C1CC1 ZINC000491466270 380322362 /nfs/dbraw/zinc/32/23/62/380322362.db2.gz VJTIFUVOIREZME-PGJNLMOESA-N 0 3 283.375 2.170 20 30 CEEDHN CCN1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000334534883 380548783 /nfs/dbraw/zinc/54/87/83/380548783.db2.gz MJDFXQXIWHLXCC-UHFFFAOYSA-N 0 3 261.344 2.225 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2[C@@H](C)C[C@@H]2C)CC1 ZINC000334547904 380571450 /nfs/dbraw/zinc/57/14/50/380571450.db2.gz WPOKQGOYVPCYJA-STQMWFEESA-N 0 3 265.401 2.219 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C\c2ncccc2C)CC1 ZINC000492626465 380632112 /nfs/dbraw/zinc/63/21/12/380632112.db2.gz SIAVKGLQYSIOEM-FPLPWBNLSA-N 0 3 297.402 2.007 20 30 CEEDHN CC(C)OCCCN(C)Cc1cnc2ccc(C#N)cn12 ZINC000353714086 220276309 /nfs/dbraw/zinc/27/63/09/220276309.db2.gz PRNHQKSKOUYZSN-UHFFFAOYSA-N 0 3 286.379 2.453 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2sccc2C#N)C1 ZINC000334751599 207015759 /nfs/dbraw/zinc/01/57/59/207015759.db2.gz INPAXXYAXATLMB-GFCCVEGCSA-N 0 3 277.393 2.174 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCSCC[C@H]1C ZINC000279265272 194358461 /nfs/dbraw/zinc/35/84/61/194358461.db2.gz MSCWCUCSUDHWDZ-CYBMUJFWSA-N 0 3 268.426 2.014 20 30 CEEDHN C=CCN1CCC(NC(=O)c2nc(Cl)cs2)CC1 ZINC000279344800 194394356 /nfs/dbraw/zinc/39/43/56/194394356.db2.gz ZMUNCJPSGCVFMR-UHFFFAOYSA-N 0 3 285.800 2.177 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCC(C)(C)N1CCCCC1 ZINC000493674329 381123447 /nfs/dbraw/zinc/12/34/47/381123447.db2.gz FAHFJVDBUSURNW-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCCN(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494009263 381153264 /nfs/dbraw/zinc/15/32/64/381153264.db2.gz OUPQASQDAZOACT-CQSZACIVSA-N 0 3 278.396 2.484 20 30 CEEDHN CN(C)C(=O)OC[C@@H]1CCCCN1CCC(C)(C)C#N ZINC000495750923 381183493 /nfs/dbraw/zinc/18/34/93/381183493.db2.gz UGUATJGIBPAUBL-ZDUSSCGKSA-N 0 3 281.400 2.479 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](CN2CCOC2=O)C1 ZINC000495968776 381192704 /nfs/dbraw/zinc/19/27/04/381192704.db2.gz KVZWUIJKWVWWBZ-UKRRQHHQSA-N 0 3 299.374 2.393 20 30 CEEDHN CN(C)C(=O)O[C@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000496422137 381213091 /nfs/dbraw/zinc/21/30/91/381213091.db2.gz VIUGBMIDQYSTDD-LBPRGKRZSA-N 0 3 267.373 2.089 20 30 CEEDHN Cc1c(C(=O)C(C#N)c2nnc3n2CCCCC3)ccn1C ZINC000194893995 542363034 /nfs/dbraw/zinc/36/30/34/542363034.db2.gz JBMAALRSUGNACV-ZDUSSCGKSA-N 0 3 297.362 2.142 20 30 CEEDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc(C#N)ccc1F ZINC000335328394 208199464 /nfs/dbraw/zinc/19/94/64/208199464.db2.gz LJKKJZYHDIRZAS-NWDGAFQWSA-N 0 3 261.344 2.222 20 30 CEEDHN COc1ccc([C@@H]2CCN(C(=O)C(C)C#N)C2)cc1 ZINC000336002059 533144362 /nfs/dbraw/zinc/14/43/62/533144362.db2.gz SPWJGDJZNQQSEB-WCQYABFASA-N 0 3 258.321 2.171 20 30 CEEDHN C#CCOc1ccccc1CNC1CC(OCC)C1 ZINC000224426319 533196933 /nfs/dbraw/zinc/19/69/33/533196933.db2.gz APOZENURPQQFOT-UHFFFAOYSA-N 0 3 259.349 2.356 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000281422920 195235427 /nfs/dbraw/zinc/23/54/27/195235427.db2.gz YDBCKYKUHSYNOT-IUODEOHRSA-N 0 3 287.363 2.016 20 30 CEEDHN COc1cc(CN[C@@H](CO)CC2CCC2)ccc1C#N ZINC000281772468 195376085 /nfs/dbraw/zinc/37/60/85/195376085.db2.gz SKIWWCLDLSDJLP-OAHLLOKOSA-N 0 3 274.364 2.208 20 30 CEEDHN COc1ccc(C(=O)C(C#N)c2ccncn2)c(C)c1 ZINC000354463462 533353304 /nfs/dbraw/zinc/35/33/04/533353304.db2.gz IARGAODWDGRHLB-ZDUSSCGKSA-N 0 3 267.288 2.284 20 30 CEEDHN C[C@@H](CCC#N)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000351614227 533513264 /nfs/dbraw/zinc/51/32/64/533513264.db2.gz FAXQYFKSEGJUIF-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN Cn1cc(CNCCOc2ccc(F)c(F)c2)cc1C#N ZINC000190979699 130167955 /nfs/dbraw/zinc/16/79/55/130167955.db2.gz FUBJDNAPFYWVRG-UHFFFAOYSA-N 0 3 291.301 2.344 20 30 CEEDHN Cn1cc(CN2CCC([C@@H]3CCCO3)CC2)cc1C#N ZINC000191540502 130251642 /nfs/dbraw/zinc/25/16/42/130251642.db2.gz SPBIXRSJEBGEMA-INIZCTEOSA-N 0 3 273.380 2.288 20 30 CEEDHN CCCN(C)CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000355631549 394482383 /nfs/dbraw/zinc/48/23/83/394482383.db2.gz BWSDXWKVLFAATA-ZDUSSCGKSA-N 0 3 279.771 2.363 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](CC(N)=O)C1 ZINC000245408020 394499069 /nfs/dbraw/zinc/49/90/69/394499069.db2.gz FEWLXGIARDVRLZ-JSGCOSHPSA-N 0 3 271.364 2.207 20 30 CEEDHN C[C@H](CNC(=O)c1csc(=O)[n-]1)C[NH+]1CCCCC1 ZINC000329913276 394594190 /nfs/dbraw/zinc/59/41/90/394594190.db2.gz OPOSHCMJQZOOKA-SNVBAGLBSA-N 0 3 283.397 2.275 20 30 CEEDHN CC[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3nc[nH]c3C2)CCS1 ZINC000329743191 394582924 /nfs/dbraw/zinc/58/29/24/394582924.db2.gz XBDXICJWBJIUFD-WDEREUQCSA-N 0 3 294.424 2.008 20 30 CEEDHN CC[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)CCS1 ZINC000329743191 394582927 /nfs/dbraw/zinc/58/29/27/394582927.db2.gz XBDXICJWBJIUFD-WDEREUQCSA-N 0 3 294.424 2.008 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)/C=C\c1cccc(C#N)c1 ZINC000255914818 394594730 /nfs/dbraw/zinc/59/47/30/394594730.db2.gz JSYHTDRACQACAN-SREVYHEPSA-N 0 3 297.402 2.372 20 30 CEEDHN Cc1cnc(CCNCc2ccc(C#N)c(F)c2)cn1 ZINC000421378501 394517357 /nfs/dbraw/zinc/51/73/57/394517357.db2.gz HEIVLEWKQGRCOW-UHFFFAOYSA-N 0 3 270.311 2.128 20 30 CEEDHN CN(C)CCN(c1ncc(C#N)cc1F)C1CCCC1 ZINC000413284799 394518493 /nfs/dbraw/zinc/51/84/93/394518493.db2.gz POCYOMFGVIKTFZ-UHFFFAOYSA-N 0 3 276.359 2.403 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000329877350 394591357 /nfs/dbraw/zinc/59/13/57/394591357.db2.gz JEZMNIMJSCEYOK-LOWVWBTDSA-N 0 3 276.384 2.096 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000248830103 394548039 /nfs/dbraw/zinc/54/80/39/394548039.db2.gz MJJSPDHRHDSSCV-FMKPAKJESA-N 0 3 283.375 2.464 20 30 CEEDHN CC(C)N1CC[C@@H](Nc2c(C#N)nnc3ccccc32)C1 ZINC000265826433 394654320 /nfs/dbraw/zinc/65/43/20/394654320.db2.gz JJMRRUMEPDRVJF-GFCCVEGCSA-N 0 3 281.363 2.396 20 30 CEEDHN CC[C@H](CSC)N(C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000091099169 394657164 /nfs/dbraw/zinc/65/71/64/394657164.db2.gz FXPFXINFVVACDX-QWHCGFSZSA-N 0 3 285.457 2.068 20 30 CEEDHN C[C@@H]1OCC[C@]1(C)NCC(=O)NC(=O)NC1CCCCC1 ZINC000330200257 394599738 /nfs/dbraw/zinc/59/97/38/394599738.db2.gz ACJJQBKFVOPBLW-NHYWBVRUSA-N 0 3 297.399 2.347 20 30 CEEDHN COc1cc(C(=O)NCCN2CCC[C@H](C)C2)cc(C)n1 ZINC000330385371 394603187 /nfs/dbraw/zinc/60/31/87/394603187.db2.gz STZGOPHHBVHYEA-LBPRGKRZSA-N 0 3 291.395 2.435 20 30 CEEDHN CC[C@H](C)CN(C)CC(=O)NC1(C#N)CCCCC1 ZINC000330518922 394617039 /nfs/dbraw/zinc/61/70/39/394617039.db2.gz NIQXTFOANRMDBP-ZDUSSCGKSA-N 0 3 265.401 2.307 20 30 CEEDHN CC(C)N1C(=O)N[C@@H]2CN(CCCC(C)(C)C#N)CC[C@@H]21 ZINC000330570990 394619630 /nfs/dbraw/zinc/61/96/30/394619630.db2.gz YIZFQWHCUPSQES-KGLIPLIRSA-N 0 3 292.427 2.397 20 30 CEEDHN N#Cc1cccc(N2CCN(C3CCCC3)CC2)n1 ZINC000080117503 394634585 /nfs/dbraw/zinc/63/45/85/394634585.db2.gz HQYGGYAGPQFYCW-UHFFFAOYSA-N 0 3 256.353 2.018 20 30 CEEDHN C[C@@H]1CCC[C@H](C)CN1CC(=O)NC1(C#N)CCC1 ZINC000334258460 394669397 /nfs/dbraw/zinc/66/93/97/394669397.db2.gz OYDUAXHKDFFQSI-QWHCGFSZSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)C1=CCN(C)CC1 ZINC000333683320 394651155 /nfs/dbraw/zinc/65/11/55/394651155.db2.gz LOYFTQQDFSKHLR-SUMWQHHRSA-N 0 3 287.407 2.227 20 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C=CC1CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000335240361 394751693 /nfs/dbraw/zinc/75/16/93/394751693.db2.gz MMOKTEQEAMYJBM-ZDUSSCGKSA-N 0 3 277.412 2.244 20 30 CEEDHN C=CCOCC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000359537502 394760690 /nfs/dbraw/zinc/76/06/90/394760690.db2.gz AEFFMFPJXDBLMD-OLZOCXBDSA-N 0 3 280.368 2.028 20 30 CEEDHN C=C(CC)CNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000335576058 394775316 /nfs/dbraw/zinc/77/53/16/394775316.db2.gz CPFDWDSVUSVPJW-ZIAGYGMSSA-N 0 3 265.401 2.078 20 30 CEEDHN CC(C#N)C(=O)N(C)Cc1ccc(Br)o1 ZINC000335657779 394785778 /nfs/dbraw/zinc/78/57/78/394785778.db2.gz DTFLSSRNTBGMID-ZETCQYMHSA-N 0 3 271.114 2.160 20 30 CEEDHN C=CCN(C(=O)NCC1(SC)CCN(C)CC1)C1CC1 ZINC000360699690 394805789 /nfs/dbraw/zinc/80/57/89/394805789.db2.gz ZDTYEFPGMPGEPD-UHFFFAOYSA-N 0 3 297.468 2.174 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000335906921 394809906 /nfs/dbraw/zinc/80/99/06/394809906.db2.gz KYMKQQDKINYNGL-PWSUYJOCSA-N 0 3 277.755 2.195 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1SCCc2ccccc21 ZINC000336099486 394825785 /nfs/dbraw/zinc/82/57/85/394825785.db2.gz FBAYJSJBSXTWQT-ZWNOBZJWSA-N 0 3 260.362 2.293 20 30 CEEDHN C=CCN(CCOC)C(=O)[C@@H]1CCCN1C1CCCC1 ZINC000361091257 394815102 /nfs/dbraw/zinc/81/51/02/394815102.db2.gz MBQIYOSAGPITGN-HNNXBMFYSA-N 0 3 280.412 2.054 20 30 CEEDHN C#CCCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000281906587 394873333 /nfs/dbraw/zinc/87/33/33/394873333.db2.gz BXXKDJCKIAKGMW-AWEZNQCLSA-N 0 3 257.381 2.422 20 30 CEEDHN N#Cc1ccc2ncc(CN(C[C@H]3CCOC3)C3CC3)n2c1 ZINC000129954639 394878530 /nfs/dbraw/zinc/87/85/30/394878530.db2.gz OUHWPBVCZJCQDE-CQSZACIVSA-N 0 3 296.374 2.207 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCC2(C1)CCCCC2 ZINC000130026134 394879456 /nfs/dbraw/zinc/87/94/56/394879456.db2.gz QNTLAJIHEKNOCC-ZDUSSCGKSA-N 0 3 293.411 2.043 20 30 CEEDHN CCCC(=O)N1CCCN(CCCCC#N)CC1 ZINC000363595625 394881055 /nfs/dbraw/zinc/88/10/55/394881055.db2.gz SAKUGXFDCAXRNH-UHFFFAOYSA-N 0 3 251.374 2.015 20 30 CEEDHN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C#N)c2)C[C@@H]1C ZINC000361706654 394834795 /nfs/dbraw/zinc/83/47/95/394834795.db2.gz BRUUQHKVEJYJIV-RYUDHWBXSA-N 0 3 288.351 2.385 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC(C)(CC)C2)CC1 ZINC000361990669 394840804 /nfs/dbraw/zinc/84/08/04/394840804.db2.gz XXAMCQGXEYNQQZ-UHFFFAOYSA-N 0 3 265.401 2.078 20 30 CEEDHN CCO[C@H]1COCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000362026929 394842309 /nfs/dbraw/zinc/84/23/09/394842309.db2.gz NQWQXUXEADBDMH-CVEARBPZSA-N 0 3 293.794 2.475 20 30 CEEDHN C=CCN(CCOC)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000362050030 394843417 /nfs/dbraw/zinc/84/34/17/394843417.db2.gz KOASIKLUSXFOAS-UHFFFAOYSA-N 0 3 298.333 2.428 20 30 CEEDHN C=CCCCN1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000363822354 394886855 /nfs/dbraw/zinc/88/68/55/394886855.db2.gz QZOPIEMOWJTAOL-UHFFFAOYSA-N 0 3 261.369 2.149 20 30 CEEDHN CN1CC[C@@H]2CCN(c3ccc(F)cc3C#N)C[C@@H]21 ZINC000364311145 394892993 /nfs/dbraw/zinc/89/29/93/394892993.db2.gz VTWRHAMCTDERQL-ABAIWWIYSA-N 0 3 259.328 2.228 20 30 CEEDHN C=CCN1CC[C@H](N2CC[C@H](c3ccc(F)cc3)C2)C1=O ZINC000282017931 394896965 /nfs/dbraw/zinc/89/69/65/394896965.db2.gz OZLOMLJHVGUJAV-HOCLYGCPSA-N 0 3 288.366 2.402 20 30 CEEDHN CC#CCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282120113 394909507 /nfs/dbraw/zinc/90/95/07/394909507.db2.gz QOYVLLWTUCTEBQ-AWEZNQCLSA-N 0 3 257.381 2.422 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)N(C)C(C)C ZINC000285215518 394954561 /nfs/dbraw/zinc/95/45/61/394954561.db2.gz UKYBMCSBHNFJKE-NVXWUHKLSA-N 0 3 286.419 2.466 20 30 CEEDHN CC(C)N(CCc1nccs1)C(=O)C(C)C#N ZINC000338377563 394918191 /nfs/dbraw/zinc/91/81/91/394918191.db2.gz XWSGFOAOPBJGPU-JTQLQIEISA-N 0 3 251.355 2.082 20 30 CEEDHN C=CCCN(CCNC(C)=O)Cc1ccsc1 ZINC000282431902 394918874 /nfs/dbraw/zinc/91/88/74/394918874.db2.gz HNKXGJKJYCBOON-UHFFFAOYSA-N 0 3 252.383 2.262 20 30 CEEDHN C=CCOCCN(CC)C[C@H]1COc2ccccc2O1 ZINC000338882400 394932062 /nfs/dbraw/zinc/93/20/62/394932062.db2.gz HKYWZZXYUZLJGY-AWEZNQCLSA-N 0 3 277.364 2.351 20 30 CEEDHN C#CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000283331006 394932457 /nfs/dbraw/zinc/93/24/57/394932457.db2.gz PLNZUUXOZFZJNR-UHFFFAOYSA-N 0 3 287.319 2.021 20 30 CEEDHN CC(C)CCO[C@@H]1CCN(CCOCCC#N)C1 ZINC000339015460 394936607 /nfs/dbraw/zinc/93/66/07/394936607.db2.gz RJMBAIDMNKKFBZ-CQSZACIVSA-N 0 3 254.374 2.054 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000284850651 394949495 /nfs/dbraw/zinc/94/94/95/394949495.db2.gz TZWKVLWTEDCFOD-QZTJIDSGSA-N 0 3 288.435 2.172 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)C1 ZINC000339192021 394950457 /nfs/dbraw/zinc/95/04/57/394950457.db2.gz IAYQNSRDRBZECM-NOOOWODRSA-N 0 3 276.302 2.171 20 30 CEEDHN C#CCCN[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000284889716 394951080 /nfs/dbraw/zinc/95/10/80/394951080.db2.gz WHRIOXCSZWXJJN-LBPRGKRZSA-N 0 3 265.378 2.154 20 30 CEEDHN CC#CCCN1CCC[C@H](CNC(=O)CCC)C1 ZINC000155359010 395027476 /nfs/dbraw/zinc/02/74/76/395027476.db2.gz MQQKSSRXRSZDSJ-CQSZACIVSA-N 0 3 250.386 2.028 20 30 CEEDHN C=CCC[C@@H](NC[C@]1(O)CCOC1)c1ccco1 ZINC000285961534 394992294 /nfs/dbraw/zinc/99/22/94/394992294.db2.gz FMUBJKPPKVXEQI-TZMCWYRMSA-N 0 3 251.326 2.028 20 30 CEEDHN CN(C)[C@@H](CC(=O)N(CC#N)C1CC1)c1ccccc1 ZINC000416127269 395018450 /nfs/dbraw/zinc/01/84/50/395018450.db2.gz CVZVFMNIEBXNSJ-HNNXBMFYSA-N 0 3 271.364 2.194 20 30 CEEDHN C=CCCCCCN(C)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000367351445 394961641 /nfs/dbraw/zinc/96/16/41/394961641.db2.gz JCVMLUQCFJDYGI-MRXNPFEDSA-N 0 3 294.439 2.302 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](CC2CC2)C1 ZINC000339683584 394967470 /nfs/dbraw/zinc/96/74/70/394967470.db2.gz NQYRZJZRYSXXOD-UKRRQHHQSA-N 0 3 277.412 2.117 20 30 CEEDHN C=CCC(C)(C)C(=O)NC1CCN(CCCOC)CC1 ZINC000339756641 394969271 /nfs/dbraw/zinc/96/92/71/394969271.db2.gz CSXHIDOZTLTUDX-UHFFFAOYSA-N 0 3 282.428 2.206 20 30 CEEDHN CC(C#N)C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000339921431 394974456 /nfs/dbraw/zinc/97/44/56/394974456.db2.gz GTGAOEVWKQKJFP-IUODEOHRSA-N 0 3 290.338 2.493 20 30 CEEDHN C#CCCCNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000373454926 395061088 /nfs/dbraw/zinc/06/10/88/395061088.db2.gz CGJSRNHSYBNYBL-KRWDZBQOSA-N 0 3 299.418 2.221 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@](CO)(CCC)C1 ZINC000288836292 395067514 /nfs/dbraw/zinc/06/75/14/395067514.db2.gz OFQMEAASVZPPJS-DOTOQJQBSA-N 0 3 294.439 2.060 20 30 CEEDHN C[C@@H]1CN(CCCSCC#N)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374015690 395069947 /nfs/dbraw/zinc/06/99/47/395069947.db2.gz XBMIKXASPOWUAS-KFWWJZLASA-N 0 3 298.452 2.292 20 30 CEEDHN C=CCOc1ccc(CN(C)CCC(N)=O)cc1Cl ZINC000289195543 395071799 /nfs/dbraw/zinc/07/17/99/395071799.db2.gz BAEFSZAQEWYAPR-UHFFFAOYSA-N 0 3 282.771 2.212 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CC1CCCCC1 ZINC000345724105 395074106 /nfs/dbraw/zinc/07/41/06/395074106.db2.gz OJKDUHUBDZKFSU-ZDUSSCGKSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)[C@H](N)CC(F)F ZINC000345720764 395074194 /nfs/dbraw/zinc/07/41/94/395074194.db2.gz USBPWBKKDLEJDZ-GFCCVEGCSA-N 0 3 286.297 2.323 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000345765897 395076203 /nfs/dbraw/zinc/07/62/03/395076203.db2.gz PMZMCLAKJXDNKS-ZDUSSCGKSA-N 0 3 295.342 2.436 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(OC2CCCC2)nc1 ZINC000345785909 395077447 /nfs/dbraw/zinc/07/74/47/395077447.db2.gz PPFVJKDWXJCNSA-NSHDSACASA-N 0 3 273.336 2.179 20 30 CEEDHN C[Si](C)(C)CN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000374378280 395081221 /nfs/dbraw/zinc/08/12/21/395081221.db2.gz BCRIIYGQNMQGLJ-LRDDRELGSA-N 0 3 299.450 2.209 20 30 CEEDHN C[Si](C)(C)CN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000374378279 395081230 /nfs/dbraw/zinc/08/12/30/395081230.db2.gz BCRIIYGQNMQGLJ-BLLLJJGKSA-N 0 3 299.450 2.209 20 30 CEEDHN C#CCCCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289747431 395085341 /nfs/dbraw/zinc/08/53/41/395085341.db2.gz IXOVTEASTRTSDN-CABCVRRESA-N 0 3 285.343 2.211 20 30 CEEDHN C#Cc1ccc(CN[C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1 ZINC000289868325 395089939 /nfs/dbraw/zinc/08/99/39/395089939.db2.gz WEQLQUURAIXDEE-ZWKOTPCHSA-N 0 3 295.386 2.411 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc(OC)c(Br)c1 ZINC000289924737 395091506 /nfs/dbraw/zinc/09/15/06/395091506.db2.gz SOFZCLOWAVUNEQ-JTQLQIEISA-N 0 3 286.169 2.094 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](C)CC(=O)Nc1ccccc1CC ZINC000289935716 395091655 /nfs/dbraw/zinc/09/16/55/395091655.db2.gz VRVFIMBAQBZYRK-JSGCOSHPSA-N 0 3 276.380 2.103 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@H]2CC(=O)OC)cc1 ZINC000290188061 395096403 /nfs/dbraw/zinc/09/64/03/395096403.db2.gz ZTKLZIJIRFQRTC-HNNXBMFYSA-N 0 3 257.333 2.195 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000171717588 395097406 /nfs/dbraw/zinc/09/74/06/395097406.db2.gz KLIOBRQPLIFZCN-UHFFFAOYSA-N 0 3 290.411 2.018 20 30 CEEDHN CN(C)[C@@H](CC(=O)NCC1(CC#N)CC1)c1ccccc1 ZINC000416221982 395033560 /nfs/dbraw/zinc/03/35/60/395033560.db2.gz CXZHYDRVOPXFHF-HNNXBMFYSA-N 0 3 285.391 2.489 20 30 CEEDHN N#CC1(NC(=O)CN2CC[C@H](C3CC3)C2)CCCCC1 ZINC000372330398 395039574 /nfs/dbraw/zinc/03/95/74/395039574.db2.gz FPYKDYXRZWGXJO-AWEZNQCLSA-N 0 3 275.396 2.061 20 30 CEEDHN C=CCOc1cccc(CN2C[C@@H](O)C3(CC3)C2)c1 ZINC000372360891 395040657 /nfs/dbraw/zinc/04/06/57/395040657.db2.gz XQFFSNQWSFMUAS-OAHLLOKOSA-N 0 3 259.349 2.208 20 30 CEEDHN C#CCC(CC#C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000287589071 395043793 /nfs/dbraw/zinc/04/37/93/395043793.db2.gz HBTJOJNUVWXBQA-QZTJIDSGSA-N 0 3 294.398 2.211 20 30 CEEDHN CC(C)[C@H]1CN(C)CCN1Cc1ccc(C#N)cc1 ZINC000174699868 395127788 /nfs/dbraw/zinc/12/77/88/395127788.db2.gz NUJJXMJYYDIMRX-MRXNPFEDSA-N 0 3 257.381 2.330 20 30 CEEDHN C=CCOCCNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000378597723 395156707 /nfs/dbraw/zinc/15/67/07/395156707.db2.gz SLOBSIUITMUNKG-UHFFFAOYSA-N 0 3 296.374 2.251 20 30 CEEDHN COc1ccc(NC(=O)C(C#N)c2nc(C)cs2)cn1 ZINC000505733542 395167765 /nfs/dbraw/zinc/16/77/65/395167765.db2.gz MCEVNJPNIUERMG-SNVBAGLBSA-N 0 3 288.332 2.101 20 30 CEEDHN CCc1ccc(C#CC(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000293401805 395232592 /nfs/dbraw/zinc/23/25/92/395232592.db2.gz SDHXWCLDWDOVSF-KRWDZBQOSA-N 0 3 284.403 2.153 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](N2CCOCC2)[C@@H]1C ZINC000351995277 395242973 /nfs/dbraw/zinc/24/29/73/395242973.db2.gz MDKDNSVQYBFFON-RVKKMQEKSA-N 0 3 299.418 2.414 20 30 CEEDHN C=CCOCCN1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000293721019 395249521 /nfs/dbraw/zinc/24/95/21/395249521.db2.gz YNDFDNFKPXZPNJ-KRWDZBQOSA-N 0 3 293.382 2.255 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1C[C@@H](C)CC1(C)C ZINC000350181325 395183553 /nfs/dbraw/zinc/18/35/53/395183553.db2.gz NQUNCQZHHPDGPN-ZDUSSCGKSA-N 0 3 250.386 2.307 20 30 CEEDHN C=CCn1c(CCCC)nnc1N1CCCN(CC)CC1 ZINC000351074473 395190907 /nfs/dbraw/zinc/19/09/07/395190907.db2.gz MPTVJQPOXXSUJQ-UHFFFAOYSA-N 0 3 291.443 2.339 20 30 CEEDHN C[C@@H](CNC[C@H](C#N)CCC#N)N1CCC[C@@H](C)C1 ZINC000519771968 395223127 /nfs/dbraw/zinc/22/31/27/395223127.db2.gz RINXZYAKDRLLDA-ILXRZTDVSA-N 0 3 262.401 2.140 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2C3CCC2CC3)cc1 ZINC000527165721 395277318 /nfs/dbraw/zinc/27/73/18/395277318.db2.gz AJXAOLHQOWYEOQ-QQFBHYJXSA-N 0 3 279.343 2.394 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000411372749 395326469 /nfs/dbraw/zinc/32/64/69/395326469.db2.gz FNRAQBFCBHWILW-VXGBXAGGSA-N 0 3 289.339 2.168 20 30 CEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000410573772 395305325 /nfs/dbraw/zinc/30/53/25/395305325.db2.gz LLBOAYKAPYBGDE-HFTRVMKXSA-N 0 3 297.402 2.269 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC000293943332 395259308 /nfs/dbraw/zinc/25/93/08/395259308.db2.gz JFXDXIABBCGJTP-UHFFFAOYSA-N 0 3 283.375 2.161 20 30 CEEDHN C[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)[C@H]1C ZINC000419373136 395266422 /nfs/dbraw/zinc/26/64/22/395266422.db2.gz NORLWWVYCBNOEN-RDBSUJKOSA-N 0 3 285.391 2.151 20 30 CEEDHN CC[C@@H](C)[C@](C)(O)CNCc1ccc(C#N)c(OC)c1 ZINC000440810764 395360407 /nfs/dbraw/zinc/36/04/07/395360407.db2.gz FFBUNXYJXHHXNI-MLGOLLRUSA-N 0 3 276.380 2.454 20 30 CEEDHN C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412567339 395361450 /nfs/dbraw/zinc/36/14/50/395361450.db2.gz CNZHTQWBEDZMPO-ZUZCIYMTSA-N 0 3 275.327 2.376 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCS[C@H](C)CC1 ZINC000192185308 395375922 /nfs/dbraw/zinc/37/59/22/395375922.db2.gz AZGMBBZCMDMVKF-KGLIPLIRSA-N 0 3 282.453 2.403 20 30 CEEDHN COC(=O)C[C@]1(NCCC2(C#N)CCCCC2)CCOC1 ZINC000411545179 395330939 /nfs/dbraw/zinc/33/09/39/395330939.db2.gz PREUJJRTOZYIFW-MRXNPFEDSA-N 0 3 294.395 2.162 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000411783139 395339702 /nfs/dbraw/zinc/33/97/02/395339702.db2.gz FJTFMBPAMIRCNM-JJXSEGSLSA-N 0 3 292.423 2.101 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530025828 395453932 /nfs/dbraw/zinc/45/39/32/395453932.db2.gz FSXHHICQGOMTHL-ZDUSSCGKSA-N 0 3 287.363 2.206 20 30 CEEDHN C[C@H](CNC[C@@H](C#N)CCC#N)N1CCc2ccccc2C1 ZINC000567771869 395535726 /nfs/dbraw/zinc/53/57/26/395535726.db2.gz NTIRGPWSIMBBFS-HZPDHXFCSA-N 0 3 296.418 2.466 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)CC1(O)CCC1)C(C)C ZINC000448976306 395544172 /nfs/dbraw/zinc/54/41/72/395544172.db2.gz TVLJAEXSNKMRRJ-OAHLLOKOSA-N 0 3 294.439 2.106 20 30 CEEDHN CN1CC[C@@H](NCc2ccc(C#N)cn2)[C@@H]1c1ccccc1 ZINC000566017864 395495554 /nfs/dbraw/zinc/49/55/54/395495554.db2.gz MWQQCSDZHDGYAN-MSOLQXFVSA-N 0 3 292.386 2.488 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000451219233 395595241 /nfs/dbraw/zinc/59/52/41/395595241.db2.gz UGKHANRSCCYECI-UHFFFAOYSA-N 0 3 288.395 2.047 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000573107460 395599998 /nfs/dbraw/zinc/59/99/98/395599998.db2.gz VRKKQHLEDCRRMU-GZBFAFLISA-N 0 3 250.386 2.284 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000573198095 395602677 /nfs/dbraw/zinc/60/26/77/395602677.db2.gz YROJQTRMEHIBDJ-JTAWPXLSSA-N 0 3 294.439 2.249 20 30 CEEDHN C[C@](CO)(NCc1ccc(C#N)cn1)C1CCCCC1 ZINC000573621800 395611848 /nfs/dbraw/zinc/61/18/48/395611848.db2.gz MMPHIVWLWFYIKK-MRXNPFEDSA-N 0 3 273.380 2.374 20 30 CEEDHN C[C@@H](C1CC1)N(Cc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000573847509 395620952 /nfs/dbraw/zinc/62/09/52/395620952.db2.gz CQDGHBRRQMDCLX-NSHDSACASA-N 0 3 281.363 2.364 20 30 CEEDHN C=CCCCCCNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000568188795 395550334 /nfs/dbraw/zinc/55/03/34/395550334.db2.gz RUOPIOQMFDMQIB-LSDHHAIUSA-N 0 3 279.428 2.468 20 30 CEEDHN COc1ccc(CN2CC[C@H](OC)[C@@H](C)C2)cc1C#N ZINC000449511784 395552145 /nfs/dbraw/zinc/55/21/45/395552145.db2.gz YYMKNQIFCVUFEF-WFASDCNBSA-N 0 3 274.364 2.424 20 30 CEEDHN N#Cc1ccccc1CN[C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449510212 395552196 /nfs/dbraw/zinc/55/21/96/395552196.db2.gz PTRQAIIWNJIHLR-IRXDYDNUSA-N 0 3 270.376 2.445 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H]2C2CC2)cc1 ZINC000570369178 395582119 /nfs/dbraw/zinc/58/21/19/395582119.db2.gz LSYLAMGXAMQDNH-HOTGVXAUSA-N 0 3 279.343 2.251 20 30 CEEDHN N#Cc1ccc(OCCN2CC3(CCC3)[C@H]3COC[C@H]32)cc1 ZINC000459743030 395666695 /nfs/dbraw/zinc/66/66/95/395666695.db2.gz ZFNLELVKWNLOTK-DLBZAZTESA-N 0 3 298.386 2.438 20 30 CEEDHN Cc1cc(CN[C@H](C)Cn2cccn2)ccc1C#N ZINC000487912280 395667699 /nfs/dbraw/zinc/66/76/99/395667699.db2.gz PFIMWFXBXJWCMO-CYBMUJFWSA-N 0 3 254.337 2.242 20 30 CEEDHN CC(C)[C@H]1CN(CCOc2cccc(C#N)c2)CCN1C ZINC000488004654 395667850 /nfs/dbraw/zinc/66/78/50/395667850.db2.gz ASRFWJQSWLHBFR-QGZVFWFLSA-N 0 3 287.407 2.209 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCN(C)[C@H](C(C)C)C1 ZINC000488201076 395668058 /nfs/dbraw/zinc/66/80/58/395668058.db2.gz ZDQXEIQUBFHAPF-INIZCTEOSA-N 0 3 287.407 2.339 20 30 CEEDHN C#CCN(C)CCCNC(=S)Nc1ccccc1F ZINC000491486450 395669955 /nfs/dbraw/zinc/66/99/55/395669955.db2.gz WGMNGVVCCOMMKO-UHFFFAOYSA-N 0 3 279.384 2.067 20 30 CEEDHN C#CCN(C)CCCNC(=O)O[C@@H](C)CC(C)C ZINC000491544046 395670091 /nfs/dbraw/zinc/67/00/91/395670091.db2.gz JUCNPYNQXCQJQT-ZDUSSCGKSA-N 0 3 254.374 2.102 20 30 CEEDHN CN(C)C/C=C\C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000492319939 395671032 /nfs/dbraw/zinc/67/10/32/395671032.db2.gz MYJMAMROCQYIKO-ARJAWSKDSA-N 0 3 295.386 2.292 20 30 CEEDHN C=CCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000649748596 396249563 /nfs/dbraw/zinc/24/95/63/396249563.db2.gz ALXQBSBTJUGEMA-SJORKVTESA-N 0 3 272.392 2.148 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CCOC[C@@H]1[C@@H]1CCCN1C ZINC000646445186 396347304 /nfs/dbraw/zinc/34/73/04/396347304.db2.gz QDLVHWUVLQXTJF-JKSUJKDBSA-N 0 3 292.423 2.076 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)COc1ccccc1 ZINC000078542170 400244064 /nfs/dbraw/zinc/24/40/64/400244064.db2.gz HBDOTIQMALFQJX-KRWDZBQOSA-N 0 3 296.370 2.430 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@@H](CCCO)C1 ZINC000452122074 400581445 /nfs/dbraw/zinc/58/14/45/400581445.db2.gz OCEMZOSIRMWSSH-CYBMUJFWSA-N 0 3 274.364 2.161 20 30 CEEDHN CCCN(CCN1CCCCC1)c1ccc(C#N)nn1 ZINC000588073603 400614134 /nfs/dbraw/zinc/61/41/34/400614134.db2.gz KTTAYSPEKJIXPO-UHFFFAOYSA-N 0 3 273.384 2.051 20 30 CEEDHN C=CCC[C@@H](O)CN1CCc2cccc(OC)c2C1 ZINC000650108787 400804473 /nfs/dbraw/zinc/80/44/73/400804473.db2.gz WRBCKZHMPJTPQS-CQSZACIVSA-N 0 3 261.365 2.380 20 30 CEEDHN C[C@@H](C(=O)NC1CCN(C2CC2)CC1)c1cccc(C#N)c1 ZINC000359926374 155171590 /nfs/dbraw/zinc/17/15/90/155171590.db2.gz VAKKMNHBOIHVHS-CYBMUJFWSA-N 0 3 297.402 2.405 20 30 CEEDHN CCN1CCC(Nc2cc(C#N)ccc2OC)CC1 ZINC000359965648 155181672 /nfs/dbraw/zinc/18/16/72/155181672.db2.gz DCLQHYLWJCCWRT-UHFFFAOYSA-N 0 3 259.353 2.463 20 30 CEEDHN C[C@@H](C(=O)NCCN1CCCCC1)c1cccc(C#N)c1 ZINC000360017092 155192761 /nfs/dbraw/zinc/19/27/61/155192761.db2.gz PNYMGWPEUZKAPQ-CQSZACIVSA-N 0 3 285.391 2.264 20 30 CEEDHN C=CCN1CCC(NC(=O)NC2(C3CCC3)CC2)CC1 ZINC000650852507 401192970 /nfs/dbraw/zinc/19/29/70/401192970.db2.gz HCCQWLOGYQGSDH-UHFFFAOYSA-N 0 3 277.412 2.269 20 30 CEEDHN C=C(C)CCNC(=O)N(C)CCN1CCCCC1 ZINC000651131923 401275530 /nfs/dbraw/zinc/27/55/30/401275530.db2.gz BKMRNKJHFBXJPA-UHFFFAOYSA-N 0 3 253.390 2.080 20 30 CEEDHN C=CCOc1ccc(CN[C@H](CO)CCF)cc1OC ZINC000652015079 401432152 /nfs/dbraw/zinc/43/21/52/401432152.db2.gz TYWGCYVXBIVFPX-ZDUSSCGKSA-N 0 3 283.343 2.070 20 30 CEEDHN C[C@H](C(=O)NCC1(N(C)C)CCC1)c1cccc(C#N)c1 ZINC000360464412 155306946 /nfs/dbraw/zinc/30/69/46/155306946.db2.gz BPLZTIDLKYFTBJ-ZDUSSCGKSA-N 0 3 285.391 2.262 20 30 CEEDHN CCN1CCN(Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000352659120 154323663 /nfs/dbraw/zinc/32/36/63/154323663.db2.gz LNTSMBWABALGMU-LBPRGKRZSA-N 0 3 261.344 2.223 20 30 CEEDHN C[C@@]1(CNCc2ccc(C#N)o2)CCO[C@@H]1C1CC1 ZINC000364054052 156063268 /nfs/dbraw/zinc/06/32/68/156063268.db2.gz FBQQIDIDLJCQKJ-CABCVRRESA-N 0 3 260.337 2.446 20 30 CEEDHN Cn1cc(CN2CCC[C@]3(CCCCO3)C2)cc1C#N ZINC000364818832 156068365 /nfs/dbraw/zinc/06/83/65/156068365.db2.gz WASVALRMOFKJQA-MRXNPFEDSA-N 0 3 273.380 2.432 20 30 CEEDHN C[C@@H]1CCOCCN1CCOc1ccc(C#N)cc1 ZINC000367657854 156220930 /nfs/dbraw/zinc/22/09/30/156220930.db2.gz GJXUUQQIPBXEDL-CYBMUJFWSA-N 0 3 260.337 2.048 20 30 CEEDHN CN1CC[C@@H]2CCN(Cc3ccc(C#N)s3)C[C@H]21 ZINC000375033126 157042994 /nfs/dbraw/zinc/04/29/94/157042994.db2.gz URIJILSLXLKADD-BXUZGUMPSA-N 0 3 261.394 2.146 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000284764015 196127367 /nfs/dbraw/zinc/12/73/67/196127367.db2.gz MIDIQGXGUXCCNP-BRWVUGGUSA-N 0 3 286.375 2.235 20 30 CEEDHN CCCCOc1ccc(CNCCn2cnc(C#N)n2)cc1 ZINC000285467950 196293082 /nfs/dbraw/zinc/29/30/82/196293082.db2.gz KETNFKNZUDIWDZ-UHFFFAOYSA-N 0 3 299.378 2.118 20 30 CEEDHN C[C@@H](N[C@@H](C)Cn1ccnc1)c1cccc(C#N)c1 ZINC000037320412 173120645 /nfs/dbraw/zinc/12/06/45/173120645.db2.gz KABJXLYUWGWMOG-QWHCGFSZSA-N 0 3 254.337 2.494 20 30 CEEDHN C=CCCNC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000660341875 414780858 /nfs/dbraw/zinc/78/08/58/414780858.db2.gz HAQVHAYENOEGCI-STQMWFEESA-N 0 3 253.390 2.125 20 30 CEEDHN C=C(C)[C@H](CO)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653903758 414783548 /nfs/dbraw/zinc/78/35/48/414783548.db2.gz ISWAMFWBFAQVNK-KGLIPLIRSA-N 0 3 253.386 2.347 20 30 CEEDHN C=CCOc1cccc(CNCCOCCF)c1 ZINC000663340855 414921270 /nfs/dbraw/zinc/92/12/70/414921270.db2.gz CUOQWJRACACRLQ-UHFFFAOYSA-N 0 3 253.317 2.327 20 30 CEEDHN C=CC[C@@H](C)NC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000660681957 414934566 /nfs/dbraw/zinc/93/45/66/414934566.db2.gz YXISRNAEVMFKDG-KGLIPLIRSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654314197 414901579 /nfs/dbraw/zinc/90/15/79/414901579.db2.gz HGSYLGMGRXUXSL-QWHCGFSZSA-N 0 3 250.386 2.332 20 30 CEEDHN C=C(C)CN1CCC(Nc2nccnc2NCC)CC1 ZINC000663567899 414989510 /nfs/dbraw/zinc/98/95/10/414989510.db2.gz LRTASCZFRHOPAO-UHFFFAOYSA-N 0 3 275.400 2.361 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccnn1CC1CC1 ZINC000657484456 414963251 /nfs/dbraw/zinc/96/32/51/414963251.db2.gz ZLXBJBCCTHOPPL-CABCVRRESA-N 0 3 261.369 2.116 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)NCC2(N(C)C)CCC2)C1 ZINC000661050356 415075651 /nfs/dbraw/zinc/07/56/51/415075651.db2.gz HPBGDLYDXMSKCZ-AWEZNQCLSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CCC1(NCc2cnnn2-c2ccccc2)CCOCC1 ZINC000657634750 415031933 /nfs/dbraw/zinc/03/19/33/415031933.db2.gz PXNKCMOMQXWQGW-UHFFFAOYSA-N 0 3 298.390 2.482 20 30 CEEDHN C=CCOCCCNCc1cnnn1Cc1ccccc1 ZINC000657658873 415040860 /nfs/dbraw/zinc/04/08/60/415040860.db2.gz IERFPQGVFRYTSM-UHFFFAOYSA-N 0 3 286.379 2.009 20 30 CEEDHN C=CCN(C[C@H](O)CC1CCCC1)[C@H](C)COC ZINC000661240932 415152164 /nfs/dbraw/zinc/15/21/64/415152164.db2.gz TXHOPCSKKAVPNG-UKRRQHHQSA-N 0 3 255.402 2.451 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ncnn1CCF ZINC000661114971 415101626 /nfs/dbraw/zinc/10/16/26/415101626.db2.gz NMNHOOPWPJQXJO-CHWSQXEVSA-N 0 3 266.364 2.472 20 30 CEEDHN C=CCC1(NC(=O)N[C@@H]2CCN(C3CC3)C2)CCCC1 ZINC000664131115 415183496 /nfs/dbraw/zinc/18/34/96/415183496.db2.gz XRTWFZUZMQLOCX-CYBMUJFWSA-N 0 3 277.412 2.411 20 30 CEEDHN CCCNC(=O)CCN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000045072663 175301964 /nfs/dbraw/zinc/30/19/64/175301964.db2.gz UMJQOEWTYXLXRQ-ZDUSSCGKSA-N 0 3 289.379 2.156 20 30 CEEDHN C=C[C@H](CC(=O)N[C@H](CN)C(F)(F)F)c1ccccc1 ZINC000655519474 415322854 /nfs/dbraw/zinc/32/28/54/415322854.db2.gz VEADXWUKAJKOIN-ZYHUDNBSSA-N 0 3 286.297 2.352 20 30 CEEDHN C=CCOCCN1CCC([C@H]2CCCCO2)CC1 ZINC000661863175 415504469 /nfs/dbraw/zinc/50/44/69/415504469.db2.gz LXSDMNGXEXMEIV-OAHLLOKOSA-N 0 3 253.386 2.470 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CNCCC1(F)F ZINC000659329359 415519281 /nfs/dbraw/zinc/51/92/81/415519281.db2.gz MTDZAFZDBOGHEH-UPJWGTAASA-N 0 3 286.366 2.482 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(CCC)C2)C1 ZINC000661945244 415530732 /nfs/dbraw/zinc/53/07/32/415530732.db2.gz BRKYNUZBEDWNSC-HUUCEWRRSA-N 0 3 279.428 2.468 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N(C)C(C)C ZINC000662083631 415617149 /nfs/dbraw/zinc/61/71/49/415617149.db2.gz ICSPDKAVLFAHKV-MELADBBJSA-N 0 3 250.386 2.425 20 30 CEEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)N(C)CCN(C)C ZINC000665391968 415723933 /nfs/dbraw/zinc/72/39/33/415723933.db2.gz OFDRUBFYNKCBRP-UONOGXRCSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](COC)OC ZINC000659848396 415729939 /nfs/dbraw/zinc/72/99/39/415729939.db2.gz DHWPHFYWHUZQOM-INIZCTEOSA-N 0 3 279.380 2.345 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000662631679 415912842 /nfs/dbraw/zinc/91/28/42/415912842.db2.gz XKVSZNNQUXICSJ-HZPDHXFCSA-N 0 3 272.392 2.371 20 30 CEEDHN C=CC[C@]1(C(=O)Nc2ccc(C)cc2[O-])CCC[NH2+]1 ZINC000662785465 415961423 /nfs/dbraw/zinc/96/14/23/415961423.db2.gz JBIBYEWTUMWYOQ-OAHLLOKOSA-N 0 3 260.337 2.337 20 30 CEEDHN C[C@H](CN1CCN(C)CC1)Nc1ccc(C#N)c(Cl)c1 ZINC000078619304 177360766 /nfs/dbraw/zinc/36/07/66/177360766.db2.gz JKSSGNQYRPVDER-GFCCVEGCSA-N 0 3 292.814 2.259 20 30 CEEDHN COc1cc([C@@H](C)NC(=O)C(C)C#N)cc(OC)c1OC ZINC000347067593 226011660 /nfs/dbraw/zinc/01/16/60/226011660.db2.gz LGCUVCIRLKOEBZ-NXEZZACHSA-N 0 3 292.335 2.049 20 30 CEEDHN CC(C#N)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000347067492 226012239 /nfs/dbraw/zinc/01/22/39/226012239.db2.gz KODAFGPBQFMRDI-SBJJXXPASA-N 0 3 283.375 2.004 20 30 CEEDHN C[C@H](C#N)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000347088041 226044162 /nfs/dbraw/zinc/04/41/62/226044162.db2.gz PKTRPFXZFGXIFG-KGLIPLIRSA-N 0 3 285.391 2.488 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000347449981 226159271 /nfs/dbraw/zinc/15/92/71/226159271.db2.gz NWFAEGXKEZCBGF-RBSFLKMASA-N 0 3 285.391 2.267 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000348018688 226396060 /nfs/dbraw/zinc/39/60/60/226396060.db2.gz RUHNUIKPUMOFNX-CKYFFXLPSA-N 0 3 264.350 2.196 20 30 CEEDHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCCN2C2CC2)O1 ZINC000329262386 227391360 /nfs/dbraw/zinc/39/13/60/227391360.db2.gz BEULTIFICCJVJT-FRRDWIJNSA-N 0 3 295.383 2.043 20 30 CEEDHN Cc1nnc(NC(=O)C2CCN(C3CC3)CC2)n1C1CC1 ZINC000329076014 227284728 /nfs/dbraw/zinc/28/47/28/227284728.db2.gz PSBZNJQMCCVTOV-UHFFFAOYSA-N 0 3 289.383 2.384 20 30 CEEDHN Cc1cc(C)n(CC(=O)NC[C@@H]2CCCCN2C2CC2)n1 ZINC000329969104 228000827 /nfs/dbraw/zinc/00/08/27/228000827.db2.gz WKBDMPRXEMCZEN-HNNXBMFYSA-N 0 3 290.411 2.473 20 30 CEEDHN Cc1ncoc1C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C ZINC000330029818 228021202 /nfs/dbraw/zinc/02/12/02/228021202.db2.gz QQFMRFDITXJOOY-YOGCLGLASA-N 0 3 263.341 2.303 20 30 CEEDHN [O-]C(NC1CCCCCC1)=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330181685 228058174 /nfs/dbraw/zinc/05/81/74/228058174.db2.gz GTILMPIVTBZRJJ-CYBMUJFWSA-N 0 3 276.384 2.424 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000333206408 228193226 /nfs/dbraw/zinc/19/32/26/228193226.db2.gz OQJKYTBPHAZFFB-WMLDXEAASA-N 0 3 289.423 2.451 20 30 CEEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)c1ccncn1 ZINC000352322877 228220030 /nfs/dbraw/zinc/22/00/30/228220030.db2.gz VBAPAHBTMOLMES-LLVKDONJSA-N 0 3 272.695 2.376 20 30 CEEDHN C=CCN(CCc1ccco1)[C@H](C)CN1CCOCC1 ZINC000298787171 260162631 /nfs/dbraw/zinc/16/26/31/260162631.db2.gz DHHMIFSPJUEYGH-OAHLLOKOSA-N 0 3 278.396 2.031 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](CC)c1ccccc1 ZINC000299339811 260182880 /nfs/dbraw/zinc/18/28/80/260182880.db2.gz ACHUWRKTZFCTKW-GXTWGEPZSA-N 0 3 289.379 2.128 20 30 CEEDHN C#C[C@@H](NC[C@H](O)c1cc(F)ccc1F)C(C)C ZINC000310578678 260220271 /nfs/dbraw/zinc/22/02/71/260220271.db2.gz VJHYAHRCPPPVHL-KGLIPLIRSA-N 0 3 253.292 2.246 20 30 CEEDHN C#C[C@H](NC[C@@H](O)c1cc(F)ccc1F)C(C)C ZINC000310578680 260220336 /nfs/dbraw/zinc/22/03/36/260220336.db2.gz VJHYAHRCPPPVHL-UONOGXRCSA-N 0 3 253.292 2.246 20 30 CEEDHN CCN1CCN(C2CCN(CCC(C)(C)C#N)CC2)C1=O ZINC000363466186 260263467 /nfs/dbraw/zinc/26/34/67/260263467.db2.gz CUZKOQVMZVWZBI-UHFFFAOYSA-N 0 3 292.427 2.148 20 30 CEEDHN CC[C@@H](COC)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000517995582 260332274 /nfs/dbraw/zinc/33/22/74/260332274.db2.gz NCVGAFGIAYBCFV-INIZCTEOSA-N 0 3 298.390 2.473 20 30 CEEDHN C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000448734639 261090156 /nfs/dbraw/zinc/09/01/56/261090156.db2.gz IBOGLQOZYLATRB-BLLLJJGKSA-N 0 3 287.363 2.115 20 30 CEEDHN C#CCOc1ccccc1CNCCN(CC)C1CC1 ZINC000101932278 261253200 /nfs/dbraw/zinc/25/32/00/261253200.db2.gz HVNUZVYNTIQPJZ-UHFFFAOYSA-N 0 3 272.392 2.273 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CCC[C@H](C(C)(C)C)C1 ZINC000361552935 261331723 /nfs/dbraw/zinc/33/17/23/261331723.db2.gz 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/nfs/dbraw/zinc/21/45/36/262214536.db2.gz MTERPPQIILFEMY-ZDUSSCGKSA-N 0 3 265.401 2.307 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000364855632 262262868 /nfs/dbraw/zinc/26/28/68/262262868.db2.gz RZWVSUWJQCNYAJ-DOTOQJQBSA-N 0 3 294.439 2.302 20 30 CEEDHN Cn1cc(C[C@H]2CCN(CC#Cc3ccccc3)C2)cn1 ZINC000365269447 262356998 /nfs/dbraw/zinc/35/69/98/262356998.db2.gz QUTBACZGKPLMTN-QGZVFWFLSA-N 0 3 279.387 2.336 20 30 CEEDHN CC1(C#N)CCC(N[C@H]2CNCCC2(F)F)CC1 ZINC000335364661 262374440 /nfs/dbraw/zinc/37/44/40/262374440.db2.gz VNVKKVYPVMGZNA-CXQJBGSLSA-N 0 3 257.328 2.046 20 30 CEEDHN CC1(C#N)CCN([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000272512396 263005722 /nfs/dbraw/zinc/00/57/22/263005722.db2.gz GGARYMOCAYASHV-GJZGRUSLSA-N 0 3 256.349 2.270 20 30 CEEDHN CCN(CC)c1ncc(CNCCCC#N)s1 ZINC000273100081 263012681 /nfs/dbraw/zinc/01/26/81/263012681.db2.gz VMQHSMYNJUZACW-UHFFFAOYSA-N 0 3 252.387 2.383 20 30 CEEDHN CCS(=O)(=O)c1ccc([C@@H](C)NCCCC#N)cc1 ZINC000273311533 263015285 /nfs/dbraw/zinc/01/52/85/263015285.db2.gz WTBPPIDPSXPUAE-GFCCVEGCSA-N 0 3 280.393 2.435 20 30 CEEDHN NC(=NOCCN1CCCCC1)c1nccc2ccccc21 ZINC000277494706 263041430 /nfs/dbraw/zinc/04/14/30/263041430.db2.gz CLPRWCFNXHOHOY-UHFFFAOYSA-N 0 3 298.390 2.358 20 30 CEEDHN CN(C)[C@H](CNC(=O)CC(C)(C)C#N)c1ccccc1 ZINC000278342973 263047118 /nfs/dbraw/zinc/04/71/18/263047118.db2.gz WIMGAXCTGMIYCW-CQSZACIVSA-N 0 3 273.380 2.345 20 30 CEEDHN N#CCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279359583 263055122 /nfs/dbraw/zinc/05/51/22/263055122.db2.gz QWRULMZXAUFNMT-HNNXBMFYSA-N 0 3 280.331 2.051 20 30 CEEDHN CC[C@@H]1C[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281748365 263071589 /nfs/dbraw/zinc/07/15/89/263071589.db2.gz HODCLVZLBHZQNY-RBSFLKMASA-N 0 3 267.332 2.155 20 30 CEEDHN CCN(CCOCCO)Cc1ccccc1C(C)(C)C#N ZINC000281876783 263072695 /nfs/dbraw/zinc/07/26/95/263072695.db2.gz ABXCFZGKWHMSLV-UHFFFAOYSA-N 0 3 290.407 2.319 20 30 CEEDHN CC(C#N)C(=O)NCCOc1ccc(F)c(Cl)c1 ZINC000452427071 263091092 /nfs/dbraw/zinc/09/10/92/263091092.db2.gz QZGIZESQQYQBLO-QMMMGPOBSA-N 0 3 270.691 2.134 20 30 CEEDHN C(=N/OC1CCC1)\c1ccc(N2CCOCC2)cc1 ZINC000291298237 263121252 /nfs/dbraw/zinc/12/12/52/263121252.db2.gz BYEODTVECXSNOR-FOWTUZBSSA-N 0 3 260.337 2.426 20 30 CEEDHN C[C@@H](NC(=O)CCCC#N)[C@@H](c1ccccc1)N(C)C ZINC000293252923 263138927 /nfs/dbraw/zinc/13/89/27/263138927.db2.gz KYOAQVWRYRAVIE-CJNGLKHVSA-N 0 3 273.380 2.488 20 30 CEEDHN C[C@@H](NCCOCCC#N)[C@@H]1OCCc2sccc21 ZINC000293719420 263147864 /nfs/dbraw/zinc/14/78/64/263147864.db2.gz YJYYTZDXWNQWNA-RISCZKNCSA-N 0 3 280.393 2.270 20 30 CEEDHN CC/C=C/CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000296005242 263184713 /nfs/dbraw/zinc/18/47/13/263184713.db2.gz SGDFMQSLRBCTFF-NHZBNJEXSA-N 0 3 267.332 2.323 20 30 CEEDHN C=CCOc1ccccc1CN[C@H]1CNCCC1(F)F ZINC000415006458 263216878 /nfs/dbraw/zinc/21/68/78/263216878.db2.gz SVMXCVXDUJUNHJ-AWEZNQCLSA-N 0 3 282.334 2.338 20 30 CEEDHN C[C@@H](CCC#N)N(C)CCn1cc(Br)cn1 ZINC000298646876 263223559 /nfs/dbraw/zinc/22/35/59/263223559.db2.gz XDTISGLKUZVJGY-JTQLQIEISA-N 0 3 285.189 2.270 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000299136715 263231564 /nfs/dbraw/zinc/23/15/64/263231564.db2.gz HDKHCKZUSFRDGD-UHFFFAOYSA-N 0 3 281.359 2.036 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](c2ccccc2)C1 ZINC000120153395 263281110 /nfs/dbraw/zinc/28/11/10/263281110.db2.gz SEEDHGGUOMNVBA-HIFRSBDPSA-N 0 3 258.365 2.167 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000340847077 263306278 /nfs/dbraw/zinc/30/62/78/263306278.db2.gz GIPMXRLEGJRSTQ-VBQJREDUSA-N 0 3 294.439 2.369 20 30 CEEDHN CN(C)Cc1ccc(C(=O)NCC2(C#N)CCC2)cc1 ZINC000416353536 263702020 /nfs/dbraw/zinc/70/20/20/263702020.db2.gz KCHORKMWTCGZKE-UHFFFAOYSA-N 0 3 271.364 2.172 20 30 CEEDHN N#C[C@H](c1ccccc1)N1CCN(CC2(O)CCCC2)CC1 ZINC000330367807 263915748 /nfs/dbraw/zinc/91/57/48/263915748.db2.gz GJXXJBXIPGLKGE-QGZVFWFLSA-N 0 3 299.418 2.174 20 30 CEEDHN COc1cc(C(=O)NCCN2CCCCC2)cc(C)n1 ZINC000330377482 263918311 /nfs/dbraw/zinc/91/83/11/263918311.db2.gz IUPPNKSSGJNAGD-UHFFFAOYSA-N 0 3 277.368 2.189 20 30 CEEDHN CC(C)(CNC(=O)CCCC#N)N1CCCCC1 ZINC000330888840 264064239 /nfs/dbraw/zinc/06/42/39/264064239.db2.gz GLPLKTVJCWWXNT-UHFFFAOYSA-N 0 3 251.374 2.061 20 30 CEEDHN Cc1ncncc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000330953376 264086220 /nfs/dbraw/zinc/08/62/20/264086220.db2.gz GCSCAPWXDKUCJJ-UHFFFAOYSA-N 0 3 276.384 2.212 20 30 CEEDHN CN(C)Cc1cccc(C(=O)NC2(C#N)CCOCC2)c1 ZINC000330969201 264091725 /nfs/dbraw/zinc/09/17/25/264091725.db2.gz MEVZUVWFEHELTG-UHFFFAOYSA-N 0 3 287.363 2.126 20 30 CEEDHN COCC(C)(C)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000425354214 264126307 /nfs/dbraw/zinc/12/63/07/264126307.db2.gz RGLKTRSMZJLJEH-UHFFFAOYSA-N 0 3 287.407 2.101 20 30 CEEDHN CC1(C)[C@H](O)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000331149337 264138669 /nfs/dbraw/zinc/13/86/69/264138669.db2.gz JAYQWHRTJIIAKS-LSDHHAIUSA-N 0 3 286.375 2.131 20 30 CEEDHN C[C@@]1(O)CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000331315104 264188185 /nfs/dbraw/zinc/18/81/85/264188185.db2.gz IWXGJVGNMGXXEW-NVXWUHKLSA-N 0 3 286.375 2.132 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)NCc1ccoc1 ZINC000331333853 264193089 /nfs/dbraw/zinc/19/30/89/264193089.db2.gz TUONQMUGLOVLSE-CYBMUJFWSA-N 0 3 279.384 2.404 20 30 CEEDHN Cc1ccc(F)cc1C(=O)NC[C@@H]1CCCCN1CCO ZINC000331341254 264195213 /nfs/dbraw/zinc/19/52/13/264195213.db2.gz SNBIUYBOZDCISX-AWEZNQCLSA-N 0 3 294.370 2.286 20 30 CEEDHN C#CCOc1ccccc1CNCCc1c(C)nn(C)c1C ZINC000126241891 264214481 /nfs/dbraw/zinc/21/44/81/264214481.db2.gz FZPYXDDFOBKJAL-UHFFFAOYSA-N 0 3 297.402 2.381 20 30 CEEDHN C=CCC1(C(=O)NC[C@@H]2CCCN2CCC)CCOCC1 ZINC000424858360 264245264 /nfs/dbraw/zinc/24/52/64/264245264.db2.gz XKHPPJJYLYZJMU-HNNXBMFYSA-N 0 3 294.439 2.350 20 30 CEEDHN CC(C)(C)OC(=O)C1CCC(NCCC#N)CC1 ZINC000425974594 264249296 /nfs/dbraw/zinc/24/92/96/264249296.db2.gz MFFPSELEBPHHFC-UHFFFAOYSA-N 0 3 252.358 2.390 20 30 CEEDHN C=CCn1c(SCCN(C)C)nnc1-c1ccncc1 ZINC000072262999 264259899 /nfs/dbraw/zinc/25/98/99/264259899.db2.gz RUMPDIPQVKUGKO-UHFFFAOYSA-N 0 3 289.408 2.180 20 30 CEEDHN C=C[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000128256597 264288816 /nfs/dbraw/zinc/28/88/16/264288816.db2.gz TTZWXMQOPZWWTK-HIFRSBDPSA-N 0 3 275.396 2.471 20 30 CEEDHN CC(C)C[C@H]1CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000130350110 264349736 /nfs/dbraw/zinc/34/97/36/264349736.db2.gz UOWFDZFVQBDEHD-ZBFHGGJFSA-N 0 3 277.412 2.305 20 30 CEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000356494694 266125068 /nfs/dbraw/zinc/12/50/68/266125068.db2.gz APPKJXXVEVXGJC-IOASZLSFSA-N 0 3 294.395 2.152 20 30 CEEDHN C=CCCC1(C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000356738818 266167297 /nfs/dbraw/zinc/16/72/97/266167297.db2.gz FDNKACKDFSLQNU-CYBMUJFWSA-N 0 3 262.397 2.499 20 30 CEEDHN CN(CCC#N)C(=O)CCN1CC[C@@H]1c1ccccc1 ZINC000357022587 266233447 /nfs/dbraw/zinc/23/34/47/266233447.db2.gz TXSSJQBYFDPNTO-OAHLLOKOSA-N 0 3 271.364 2.196 20 30 CEEDHN COc1ccc(OC)c(CN(C(=O)C(C)C#N)C2CC2)c1 ZINC000357800836 266366004 /nfs/dbraw/zinc/36/60/04/266366004.db2.gz NTILGKNZQYOZHE-LLVKDONJSA-N 0 3 288.347 2.354 20 30 CEEDHN CC(C)OC(=O)C[C@@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000357799647 266366418 /nfs/dbraw/zinc/36/64/18/266366418.db2.gz MUGAWSSJOXWJMH-GXTWGEPZSA-N 0 3 288.347 2.345 20 30 CEEDHN CC#CCN1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1 ZINC000360341626 266708450 /nfs/dbraw/zinc/70/84/50/266708450.db2.gz GTEIFZCSWYNSIJ-UHFFFAOYSA-N 0 3 295.386 2.470 20 30 CEEDHN CCN(C)CCNC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000455659513 267052929 /nfs/dbraw/zinc/05/29/29/267052929.db2.gz FTRBSSIIEDFFMA-UHFFFAOYSA-N 0 3 287.407 2.195 20 30 CEEDHN CCN(C[C@@H]1CN(C)C(=O)O1)[C@H](C)c1ccc(C#N)cc1 ZINC000496955909 267068840 /nfs/dbraw/zinc/06/88/40/267068840.db2.gz JNNKDJFMKHPDOV-DOMZBBRYSA-N 0 3 287.363 2.392 20 30 CEEDHN N#CC1(NC(=O)CN(CC2CC2)CC2CC2)CCCCC1 ZINC000115565039 267099842 /nfs/dbraw/zinc/09/98/42/267099842.db2.gz FJELVPSNIYWZBX-UHFFFAOYSA-N 0 3 289.423 2.451 20 30 CEEDHN CCOC(=O)N1CC[C@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000495997295 267124609 /nfs/dbraw/zinc/12/46/09/267124609.db2.gz DBMLRMRFVQOARE-GOEBONIOSA-N 0 3 299.374 2.366 20 30 CEEDHN CC(C)(C)OC(=O)N1C[C@H]2CCN(CCCC#N)C[C@H]2C1 ZINC000367978294 267132068 /nfs/dbraw/zinc/13/20/68/267132068.db2.gz UUHNNIJEKYDIJQ-KGLIPLIRSA-N 0 3 293.411 2.479 20 30 CEEDHN C#Cc1ccc(CNC[C@H]2CN3CCCC[C@@H]3CO2)cc1 ZINC000368028285 267138088 /nfs/dbraw/zinc/13/80/88/267138088.db2.gz CMFMDSHPMHDACD-MSOLQXFVSA-N 0 3 284.403 2.011 20 30 CEEDHN CC[C@@H](N[C@@H](C)CC(=O)NC)c1ccc(C#N)cc1 ZINC000453387004 267196259 /nfs/dbraw/zinc/19/62/59/267196259.db2.gz VWSMGBWPKOGBLP-SMDDNHRTSA-N 0 3 259.353 2.124 20 30 CEEDHN CC[C@@H]1CN(CCNCc2ccc(C#N)c(C)c2)CCO1 ZINC000487175593 267203274 /nfs/dbraw/zinc/20/32/74/267203274.db2.gz VQWPTXDXEJXUOW-QGZVFWFLSA-N 0 3 287.407 2.067 20 30 CEEDHN CC[C@H](CNc1ncc(C#N)cc1[N+](=O)[O-])N1CCCC1 ZINC000450257042 267212026 /nfs/dbraw/zinc/21/20/26/267212026.db2.gz JIZOOJLVEUNYDT-GFCCVEGCSA-N 0 3 289.339 2.148 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000369401074 267240755 /nfs/dbraw/zinc/24/07/55/267240755.db2.gz ZVLUITVYDUYWRR-YQQAZPJKSA-N 0 3 284.403 2.077 20 30 CEEDHN C#CC[C@H](C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000369747838 267263076 /nfs/dbraw/zinc/26/30/76/267263076.db2.gz FQSHTWRCNVWLHF-DOTOQJQBSA-N 0 3 299.418 2.362 20 30 CEEDHN CN(C)[C@@H](CNc1cncc(C#N)n1)c1ccccc1 ZINC000420585883 267285566 /nfs/dbraw/zinc/28/55/66/267285566.db2.gz NOCBBKIGNMLWEY-AWEZNQCLSA-N 0 3 267.336 2.063 20 30 CEEDHN C=C[C@H](C)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000119339235 267322652 /nfs/dbraw/zinc/32/26/52/267322652.db2.gz WFDURODTHARFRP-VHSXEESVSA-N 0 3 271.357 2.454 20 30 CEEDHN CN(c1ccc(Cl)c(C#N)n1)[C@@H]1CCN(C2CC2)C1 ZINC000486951635 267327619 /nfs/dbraw/zinc/32/76/19/267327619.db2.gz SSASHYCOSBRARA-LLVKDONJSA-N 0 3 276.771 2.280 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@@H]1CCCC12CCOCC2 ZINC000370590402 267330214 /nfs/dbraw/zinc/33/02/14/267330214.db2.gz 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/nfs/dbraw/zinc/52/32/94/328523294.db2.gz CUSHGWHCYZXNHC-SNVBAGLBSA-N 0 3 268.357 2.246 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc(O)cc(C(F)(F)F)c1 ZINC000289555082 328527173 /nfs/dbraw/zinc/52/71/73/328527173.db2.gz QMDQVGVTQCCTJS-NSHDSACASA-N 0 3 275.270 2.438 20 30 CEEDHN C#Cc1ccccc1CC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000291843205 328535213 /nfs/dbraw/zinc/53/52/13/328535213.db2.gz UBLZBRRVYNGMQD-HNNXBMFYSA-N 0 3 298.430 2.399 20 30 CEEDHN N#Cc1cnccc1N1CC[C@H](N2CCCCC2)C1 ZINC000399464063 326791145 /nfs/dbraw/zinc/79/11/45/326791145.db2.gz RBHNBMQKCRDNOG-AWEZNQCLSA-N 0 3 256.353 2.018 20 30 CEEDHN CC1(C)C[C@@]1(C#N)NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000584123287 327045537 /nfs/dbraw/zinc/04/55/37/327045537.db2.gz REZUFSANTKBOIF-QAPCUYQASA-N 0 3 297.402 2.317 20 30 CEEDHN C=CCN1CCC(NC(=O)C2CC3(CCC3)C2)CC1 ZINC000584233924 327071847 /nfs/dbraw/zinc/07/18/47/327071847.db2.gz LIZDMRQVVIXMFH-UHFFFAOYSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCCCCCNC(=O)N(C)C[C@H]1CCCN1C ZINC000569588870 327201592 /nfs/dbraw/zinc/20/15/92/327201592.db2.gz GGZVTZMLIRGWPA-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(F)cc1Cl ZINC000294053046 327201837 /nfs/dbraw/zinc/20/18/37/327201837.db2.gz UJPYQILJOWZTSC-UHFFFAOYSA-N 0 3 282.746 2.164 20 30 CEEDHN C[C@@H]1CC[C@H](NCCn2cnc(C#N)n2)c2sccc21 ZINC000584274103 327206183 /nfs/dbraw/zinc/20/61/83/327206183.db2.gz LDBUXWSXZLIJMG-PWSUYJOCSA-N 0 3 287.392 2.439 20 30 CEEDHN N#CCc1ccc(CNC(=O)C2(N)CCCCC2)cc1 ZINC000583441705 327366469 /nfs/dbraw/zinc/36/64/69/327366469.db2.gz DZPOFQMVUDVLFW-UHFFFAOYSA-N 0 3 271.364 2.030 20 30 CEEDHN CC(C)[C@H](C(=O)N1CCC(CCC#N)CC1)N(C)C ZINC000570399773 327588909 /nfs/dbraw/zinc/58/89/09/327588909.db2.gz SEZCBBLELPTAAK-CQSZACIVSA-N 0 3 265.401 2.115 20 30 CEEDHN C=CCN1CCC(NC(=O)CC2CCSCC2)CC1 ZINC000532392383 328775601 /nfs/dbraw/zinc/77/56/01/328775601.db2.gz IFARUOVYCLSZHH-UHFFFAOYSA-N 0 3 282.453 2.286 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CCCN(CCCOC)CC1 ZINC000378113657 329040429 /nfs/dbraw/zinc/04/04/29/329040429.db2.gz JLPPOUBUBKDQDN-UHFFFAOYSA-N 0 3 294.439 2.326 20 30 CEEDHN C=C(C)CN1CCC2(C[C@@H]2C(=O)N(C)C2CC2)CC1 ZINC000378467622 329051994 /nfs/dbraw/zinc/05/19/94/329051994.db2.gz UXLBMKDRNDWMOB-CQSZACIVSA-N 0 3 262.397 2.285 20 30 CEEDHN Cn1cc(C(=O)C(C#N)c2nc3ccccc3o2)ccc1=O ZINC000171567621 329077450 /nfs/dbraw/zinc/07/74/50/329077450.db2.gz NWXWOPOLSVBWLI-NSHDSACASA-N 0 3 293.282 2.017 20 30 CEEDHN C[C@@H](CCC#N)N1CCC(C(=O)N2CCCC2)CC1 ZINC000582549258 329106062 /nfs/dbraw/zinc/10/60/62/329106062.db2.gz RYSXSMIXEKDRDA-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN C#CCCCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000173320957 329145758 /nfs/dbraw/zinc/14/57/58/329145758.db2.gz KDACOPIXQHQAQT-OAHLLOKOSA-N 0 3 277.412 2.060 20 30 CEEDHN CCc1nsc(N2CCCN(CCCCC#N)CC2)n1 ZINC000174520442 329159708 /nfs/dbraw/zinc/15/97/08/329159708.db2.gz DJTRBFCCWALGQI-UHFFFAOYSA-N 0 3 293.440 2.306 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2cccc(CC#N)c2)CN1C1CC1 ZINC000177168472 329181468 /nfs/dbraw/zinc/18/14/68/329181468.db2.gz XJINKWZBCYWRPH-DOMZBBRYSA-N 0 3 283.375 2.108 20 30 CEEDHN C=CC[C@H](CO)NCc1cnn(-c2ccc(F)cc2)c1 ZINC000184267024 329258426 /nfs/dbraw/zinc/25/84/26/329258426.db2.gz RMCQNZCMAMBBEX-CQSZACIVSA-N 0 3 275.327 2.038 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000184280381 329258430 /nfs/dbraw/zinc/25/84/30/329258430.db2.gz KEZLPQXJJWRPSI-FZMZJTMJSA-N 0 3 277.364 2.045 20 30 CEEDHN C=CC[C@H](CO)NCc1cccc(OCCCC#N)c1 ZINC000184285139 329258671 /nfs/dbraw/zinc/25/86/71/329258671.db2.gz LTKAQJDODUPUDC-OAHLLOKOSA-N 0 3 274.364 2.396 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000185351705 329270919 /nfs/dbraw/zinc/27/09/19/329270919.db2.gz DAHJXWUDAGKTPA-LSDHHAIUSA-N 0 3 282.428 2.158 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000185427369 329273392 /nfs/dbraw/zinc/27/33/92/329273392.db2.gz OKDLPXZFUAHQSZ-UONOGXRCSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C(Cl)CN(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188280203 329367334 /nfs/dbraw/zinc/36/73/34/329367334.db2.gz OPCUUPOGPZODDX-INIZCTEOSA-N 0 3 294.826 2.308 20 30 CEEDHN CN(CC#Cc1ccc(Cl)cc1)CC1(O)CCOCC1 ZINC000189757688 329385773 /nfs/dbraw/zinc/38/57/73/329385773.db2.gz CJIUOMGUHRRCLZ-UHFFFAOYSA-N 0 3 293.794 2.165 20 30 CEEDHN COCC1(C#N)CCN(C[C@@H](CC(C)C)OC)CC1 ZINC000419265105 329713295 /nfs/dbraw/zinc/71/32/95/329713295.db2.gz CZKZUGMEXBIHLW-CQSZACIVSA-N 0 3 268.401 2.300 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)COC)C(C)C ZINC000264087500 330060821 /nfs/dbraw/zinc/06/08/21/330060821.db2.gz FFNYFGQUCDGEPZ-GJZGRUSLSA-N 0 3 282.428 2.084 20 30 CEEDHN C=CCS(=O)(=O)CC[NH2+][C@H](CC)c1ccccc1[O-] ZINC000274736568 330107629 /nfs/dbraw/zinc/10/76/29/330107629.db2.gz DGKVFFHEKSEOTA-CYBMUJFWSA-N 0 3 283.393 2.034 20 30 CEEDHN C=C(CNC(=O)N(C)C[C@H]1CCCN1C)c1ccccc1 ZINC000422204345 330134506 /nfs/dbraw/zinc/13/45/06/330134506.db2.gz NTFOZVARPFLQFF-MRXNPFEDSA-N 0 3 287.407 2.435 20 30 CEEDHN CCN(C(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000424071679 330220044 /nfs/dbraw/zinc/22/00/44/330220044.db2.gz BRNTVTAFTDHNMO-CYBMUJFWSA-N 0 3 251.374 2.189 20 30 CEEDHN CC(C)Oc1ccccc1CNC(=O)[C@H](N)CCCC#N ZINC000424078151 330221303 /nfs/dbraw/zinc/22/13/03/330221303.db2.gz DAFNDGNZGOPJBV-CQSZACIVSA-N 0 3 289.379 2.111 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000424084104 330222564 /nfs/dbraw/zinc/22/25/64/330222564.db2.gz DLCGBENWDYXJPR-GJZGRUSLSA-N 0 3 271.364 2.024 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1nc(-c2ccco2)cs1 ZINC000424085400 330222980 /nfs/dbraw/zinc/22/29/80/330222980.db2.gz CUZMNCQIZVFLOG-VIFPVBQESA-N 0 3 290.348 2.363 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000424096692 330227516 /nfs/dbraw/zinc/22/75/16/330227516.db2.gz CROWNFCKBKJSIK-ZIAGYGMSSA-N 0 3 291.782 2.465 20 30 CEEDHN CSc1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424109407 330237154 /nfs/dbraw/zinc/23/71/54/330237154.db2.gz ZXZLELMOCCFTQM-ZDUSSCGKSA-N 0 3 277.393 2.046 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000424109658 330237179 /nfs/dbraw/zinc/23/71/79/330237179.db2.gz WEUHTTZXKIGFTD-INIZCTEOSA-N 0 3 285.391 2.265 20 30 CEEDHN Cc1ccc(CN(C)C(=O)[C@@H](N)CCCC#N)s1 ZINC000424117129 330243822 /nfs/dbraw/zinc/24/38/22/330243822.db2.gz YGYXHBORLXUAAN-LBPRGKRZSA-N 0 3 265.382 2.036 20 30 CEEDHN CO[C@@H](C)c1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424116663 330243868 /nfs/dbraw/zinc/24/38/68/330243868.db2.gz XSGFNTPTLNKDNE-SMDDNHRTSA-N 0 3 275.352 2.354 20 30 CEEDHN CC(C)[C@@H]1CCC[C@H](NC(=O)[C@H](N)CCCC#N)C1 ZINC000424119670 330247392 /nfs/dbraw/zinc/24/73/92/330247392.db2.gz CYJLCBYSSDYLPT-HZSPNIEDSA-N 0 3 265.401 2.339 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000424119636 330247403 /nfs/dbraw/zinc/24/74/03/330247403.db2.gz FYRGIBRXYSGHDV-HNNXBMFYSA-N 0 3 287.363 2.435 20 30 CEEDHN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)[C@@H](N)CCCC#N ZINC000424122259 330254069 /nfs/dbraw/zinc/25/40/69/330254069.db2.gz IQYPVLSAZZRWHG-PVAVHDDUSA-N 0 3 299.418 2.487 20 30 CEEDHN CC[C@]1(C)CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424123253 330255262 /nfs/dbraw/zinc/25/52/62/330255262.db2.gz KRHFPWHHQRUTFR-TZMCWYRMSA-N 0 3 251.374 2.046 20 30 CEEDHN Cc1ccc(C[C@@H](C)N(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000424126977 330259231 /nfs/dbraw/zinc/25/92/31/330259231.db2.gz PLKKOQNWAHXGHV-GDBMZVCRSA-N 0 3 287.407 2.406 20 30 CEEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000424128519 330259909 /nfs/dbraw/zinc/25/99/09/330259909.db2.gz RJNMWUYMABFIAV-MBNYWOFBSA-N 0 3 292.404 2.433 20 30 CEEDHN CC1(C)CCCC[C@@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424130085 330260467 /nfs/dbraw/zinc/26/04/67/330260467.db2.gz SSIVWWDGMGIPEH-RYUDHWBXSA-N 0 3 251.374 2.093 20 30 CEEDHN CC(C)(NC(=O)[C@@H](N)CCCC#N)c1cccc(F)c1 ZINC000424135891 330270829 /nfs/dbraw/zinc/27/08/29/330270829.db2.gz ZZBXWUAKIHMTEG-ZDUSSCGKSA-N 0 3 277.343 2.198 20 30 CEEDHN Cc1csc([C@@H](NC(=O)[C@H](N)CCCC#N)C2CC2)n1 ZINC000424139771 330280137 /nfs/dbraw/zinc/28/01/37/330280137.db2.gz FJZJGGGDQMAFMZ-NEPJUHHUSA-N 0 3 292.408 2.040 20 30 CEEDHN CCCOC1(CNC(=O)[C@@H](N)CCCC#N)CCCCC1 ZINC000424147079 330293874 /nfs/dbraw/zinc/29/38/74/330293874.db2.gz CHSKHYLIQVUXGA-AWEZNQCLSA-N 0 3 295.427 2.253 20 30 CEEDHN CCS[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)CCCC#N)C1 ZINC000424149673 330295851 /nfs/dbraw/zinc/29/58/51/330295851.db2.gz HOKMNANOSHDNQW-UPJWGTAASA-N 0 3 283.441 2.188 20 30 CEEDHN CCC[C@H](C)[C@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424163890 330308220 /nfs/dbraw/zinc/30/82/20/330308220.db2.gz AXGXADXBWIXKBP-BFHYXJOUSA-N 0 3 265.401 2.435 20 30 CEEDHN C=CCn1cc(CNC[C@H](C)c2ccc(F)cc2)nn1 ZINC000424174368 330314358 /nfs/dbraw/zinc/31/43/58/330314358.db2.gz RTIRIZJJVZYBFG-LBPRGKRZSA-N 0 3 274.343 2.497 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1csc(CC)n1 ZINC000424178797 330318221 /nfs/dbraw/zinc/31/82/21/330318221.db2.gz WWNPPRXCNXCIDK-JQWIXIFHSA-N 0 3 252.383 2.386 20 30 CEEDHN Cc1cc(NC(=O)[C@@H](N)CCCC#N)c(C)c(C)c1O ZINC000424180091 330318641 /nfs/dbraw/zinc/31/86/41/330318641.db2.gz NEZJTSGSZPWKOS-LBPRGKRZSA-N 0 3 275.352 2.277 20 30 CEEDHN Cc1[nH]nc2ncc(CN[C@@H]3CC[C@H](C#N)C3)cc12 ZINC000424190225 330322891 /nfs/dbraw/zinc/32/28/91/330322891.db2.gz FROCQQOKAXAMMH-CMPLNLGQSA-N 0 3 255.325 2.048 20 30 CEEDHN C[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H](N)c1ccccc1 ZINC000424217529 330329102 /nfs/dbraw/zinc/32/91/02/330329102.db2.gz MBFDQJZZOUWMNF-OSRDXIQISA-N 0 3 271.364 2.131 20 30 CEEDHN C=CCn1cc(CN[C@H]2CCC[C@@H]2CCCF)nn1 ZINC000424292799 330335248 /nfs/dbraw/zinc/33/52/48/330335248.db2.gz HJTPYOHRZVMVJI-OCCSQVGLSA-N 0 3 266.364 2.472 20 30 CEEDHN C=CCn1cc(CN[C@@H](C)Cc2ccc(OC)cc2)nn1 ZINC000424299660 330336852 /nfs/dbraw/zinc/33/68/52/330336852.db2.gz VVHOHTHOKVIIOQ-ZDUSSCGKSA-N 0 3 286.379 2.194 20 30 CEEDHN C=CCSCCNC(=O)Nc1cc(C)cc(CN)c1 ZINC000424428407 330351722 /nfs/dbraw/zinc/35/17/22/330351722.db2.gz STWMDXUHQCJNIZ-UHFFFAOYSA-N 0 3 279.409 2.494 20 30 CEEDHN Cc1cc(CN)cc(NC(=O)N(C)[C@H](C)CC#N)c1 ZINC000424434528 330351930 /nfs/dbraw/zinc/35/19/30/330351930.db2.gz KCWDDRWXFLZMGW-LLVKDONJSA-N 0 3 260.341 2.220 20 30 CEEDHN CNC(=O)[C@@H]1CCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000429794920 330555073 /nfs/dbraw/zinc/55/50/73/330555073.db2.gz XYBHRPKYCVXKCU-HUUCEWRRSA-N 0 3 290.794 2.196 20 30 CEEDHN Cc1cccc2ncc(CNCC3(CC#N)CC3)n21 ZINC000430047596 330558262 /nfs/dbraw/zinc/55/82/62/330558262.db2.gz SZAABAXREMDWJR-UHFFFAOYSA-N 0 3 254.337 2.426 20 30 CEEDHN C[C@@H](CNC(=O)NCC1(CC#N)CC1)N1CCC(C)CC1 ZINC000430437099 330568262 /nfs/dbraw/zinc/56/82/62/330568262.db2.gz JNOGJXNALWMRKB-AWEZNQCLSA-N 0 3 292.427 2.100 20 30 CEEDHN CC(=O)Nc1cccc(OCCN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442857407 330787505 /nfs/dbraw/zinc/78/75/05/330787505.db2.gz PNARUZOCTVHCND-ZIAGYGMSSA-N 0 3 287.363 2.306 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc2c(C)cccn12 ZINC000449519379 330933315 /nfs/dbraw/zinc/93/33/15/330933315.db2.gz MDAFTZVWGKAZPL-KGLIPLIRSA-N 0 3 257.337 2.076 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCCOC)cc1 ZINC000449524333 330933970 /nfs/dbraw/zinc/93/39/70/330933970.db2.gz ZRPZNZOHLBCFRB-CVEARBPZSA-N 0 3 277.364 2.145 20 30 CEEDHN C=CCc1cc(CNC[C@@H](O)C2CCC2)cc(OC)c1O ZINC000449741452 330947651 /nfs/dbraw/zinc/94/76/51/330947651.db2.gz UTGBXQVQMVZNOS-OAHLLOKOSA-N 0 3 291.391 2.380 20 30 CEEDHN N#CCC[C@H](C#N)CN1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451334213 331024704 /nfs/dbraw/zinc/02/47/04/331024704.db2.gz BKZKIFQJIWVHRA-KLHDSHLOSA-N 0 3 275.396 2.445 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451500366 331031737 /nfs/dbraw/zinc/03/17/37/331031737.db2.gz OWQXFOOQMXVICS-LSDHHAIUSA-N 0 3 294.439 2.369 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnn(C)c1C(F)(F)F ZINC000451675056 331038533 /nfs/dbraw/zinc/03/85/33/331038533.db2.gz OMKBSJPEMFQGBZ-MNOVXSKESA-N 0 3 289.301 2.262 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000451680655 331038905 /nfs/dbraw/zinc/03/89/05/331038905.db2.gz MGTBTVLFFSFRDL-KGLIPLIRSA-N 0 3 292.335 2.427 20 30 CEEDHN Cc1cccc([C@H](C)NCC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000452067947 331052714 /nfs/dbraw/zinc/05/27/14/331052714.db2.gz 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AWHPTHKICFIFSR-UHFFFAOYSA-N 0 3 285.457 2.079 20 30 CEEDHN CC#CCN(C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000458040696 331241412 /nfs/dbraw/zinc/24/14/12/331241412.db2.gz BXZDUBNNKYUUII-INIZCTEOSA-N 0 3 287.407 2.262 20 30 CEEDHN CC[C@@H]1OCC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000458282693 331247249 /nfs/dbraw/zinc/24/72/49/331247249.db2.gz FLJSLUNPNVAGOZ-XHSDSOJGSA-N 0 3 286.375 2.443 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC2(CC)CC2)CC1 ZINC000458328941 331248963 /nfs/dbraw/zinc/24/89/63/331248963.db2.gz YKERBVHRGLWVNZ-UHFFFAOYSA-N 0 3 265.401 2.269 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000458986371 331264056 /nfs/dbraw/zinc/26/40/56/331264056.db2.gz JZSIWRNLZFRIFS-OLZOCXBDSA-N 0 3 267.417 2.180 20 30 CEEDHN C=CCC1(CNC(=O)N(C)CCN(C)C)CCCC1 ZINC000459045461 331268137 /nfs/dbraw/zinc/26/81/37/331268137.db2.gz DSTDXHAEYLMOCI-UHFFFAOYSA-N 0 3 267.417 2.326 20 30 CEEDHN C=CCC[C@@H](NC1CCN(C2CC2)CC1)C(=O)OCC ZINC000459577498 331289097 /nfs/dbraw/zinc/28/90/97/331289097.db2.gz 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ZINC000962262859 613838718 /nfs/dbraw/zinc/83/87/18/613838718.db2.gz NTTWNQCBXPPBIC-SPWCGHHHSA-N 0 3 262.397 2.045 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000960544775 613839211 /nfs/dbraw/zinc/83/92/11/613839211.db2.gz COIZGVOCKWNNEW-XPABHHOTSA-N 0 3 288.416 2.084 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC=CCCC1 ZINC000960534968 613839815 /nfs/dbraw/zinc/83/98/15/613839815.db2.gz IOMJUJNDBGXQGT-CAOSSQGBSA-N 0 3 274.408 2.355 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2occc2c1 ZINC000960029363 613842582 /nfs/dbraw/zinc/84/25/82/613842582.db2.gz AJPUZNFPBFRMLS-FOLVSLTJSA-N 0 3 282.343 2.279 20 30 CEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1oncc1C ZINC000960318127 613871267 /nfs/dbraw/zinc/87/12/67/613871267.db2.gz MIPHGNSFESXVHP-HUUCEWRRSA-N 0 3 297.358 2.154 20 30 CEEDHN CCC(=O)N1CCC[C@@H]1CN(C)Cc1cccc(C#N)c1 ZINC000960337248 614569030 /nfs/dbraw/zinc/56/90/30/614569030.db2.gz PBTHQLNQBBDPMD-MRXNPFEDSA-N 0 3 285.391 2.391 20 30 CEEDHN CCC(=O)N1C[C@H](CNCc2ccccc2C#N)C[C@@H]1C ZINC000980262516 614808190 /nfs/dbraw/zinc/80/81/90/614808190.db2.gz HZAZIVSTLQNYSW-KBPBESRZSA-N 0 3 285.391 2.295 20 30 CEEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001024318759 625512208 /nfs/dbraw/zinc/51/22/08/625512208.db2.gz FFXSMBHWQYMKJN-HOTGVXAUSA-N 0 3 274.408 2.337 20 30 CEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(F)nc1 ZINC001024367305 625533049 /nfs/dbraw/zinc/53/30/49/625533049.db2.gz ZLSRBVKRUHYFLG-AWEZNQCLSA-N 0 3 291.370 2.381 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H]1CC(C)(C)CO1 ZINC000892466164 625545556 /nfs/dbraw/zinc/54/55/56/625545556.db2.gz ZYLZJCGHMFILMC-STQMWFEESA-N 0 3 294.395 2.207 20 30 CEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1=CCCC1 ZINC001024392796 625549182 /nfs/dbraw/zinc/54/91/82/625549182.db2.gz WLMCQMHVKQKHNX-OAHLLOKOSA-N 0 3 260.381 2.091 20 30 CEEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024428017 625554699 /nfs/dbraw/zinc/55/46/99/625554699.db2.gz UYIDPCBZMABXMY-HNNXBMFYSA-N 0 3 276.424 2.417 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2occ3c2CCC3)C1 ZINC001020437276 622585368 /nfs/dbraw/zinc/58/53/68/622585368.db2.gz UNUJKSRNVMHJHR-HAQNSBGRSA-N 0 3 294.782 2.371 20 30 CEEDHN C=CC[C@@H]1CCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000890553918 622594054 /nfs/dbraw/zinc/59/40/54/622594054.db2.gz FBBSQVVJRJGJOF-IUODEOHRSA-N 0 3 268.376 2.376 20 30 CEEDHN C[C@H](OCC1CC1)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000120256939 622622202 /nfs/dbraw/zinc/62/22/02/622622202.db2.gz HZNGONNSRBWMFB-SMDDNHRTSA-N 0 3 286.331 2.149 20 30 CEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001024501098 625581734 /nfs/dbraw/zinc/58/17/34/625581734.db2.gz ACSDLEQZWBJTML-OLZOCXBDSA-N 0 3 284.350 2.026 20 30 CEEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1onc(C)c1C ZINC001024499288 625582728 /nfs/dbraw/zinc/58/27/28/625582728.db2.gz HURUDRIYCSPEDX-AWEZNQCLSA-N 0 3 291.395 2.452 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(C)C)C1 ZINC001020850258 622901829 /nfs/dbraw/zinc/90/18/29/622901829.db2.gz AXQSROSSAZLVSH-ZDEQEGDKSA-N 0 3 270.804 2.268 20 30 CEEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C2CCCC2)C1 ZINC001021492205 623228846 /nfs/dbraw/zinc/22/88/46/623228846.db2.gz HNICZXCCJQPZOL-HOTGVXAUSA-N 0 3 274.408 2.123 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C=C2CCC2)C1 ZINC001021558345 623287241 /nfs/dbraw/zinc/28/72/41/623287241.db2.gz HSDRHZIRAZKFSO-DLBZAZTESA-N 0 3 286.419 2.433 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2scnc2C)C1 ZINC001021859554 623548673 /nfs/dbraw/zinc/54/86/73/623548673.db2.gz ADLJAJKJJJGXCT-AOOOYVTPSA-N 0 3 285.800 2.054 20 30 CEEDHN Cc1ccc(C#N)cc1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000933485268 623770819 /nfs/dbraw/zinc/77/08/19/623770819.db2.gz APAYPAUEIJHRSS-AWEZNQCLSA-N 0 3 271.364 2.033 20 30 CEEDHN N#Cc1ccccc1/C=C\C(=O)NCCN1CCCCC1 ZINC000255388286 623912077 /nfs/dbraw/zinc/91/20/77/623912077.db2.gz IPMXEUPXCGRHKN-HJWRWDBZSA-N 0 3 283.375 2.174 20 30 CEEDHN C#CCCCCCN1CCOC[C@H]1C[C@H]1CCCO1 ZINC000933688961 623970206 /nfs/dbraw/zinc/97/02/06/623970206.db2.gz NWHPLPILHJPAML-HZPDHXFCSA-N 0 3 265.397 2.450 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001022556859 624232686 /nfs/dbraw/zinc/23/26/86/624232686.db2.gz FUICRANLOCNAEI-SCRDCRAPSA-N 0 3 268.788 2.332 20 30 CEEDHN CCCCC(=O)C(C#N)C(=O)NCc1ccc(OC)cc1 ZINC000051620423 624462243 /nfs/dbraw/zinc/46/22/43/624462243.db2.gz WHSZKFXIDZXXDS-AWEZNQCLSA-N 0 3 288.347 2.210 20 30 CEEDHN C=CC[C@H]1CCN1[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000934470144 624517989 /nfs/dbraw/zinc/51/79/89/624517989.db2.gz BKODZFOCGDUDCP-KBPBESRZSA-N 0 3 250.386 2.284 20 30 CEEDHN C#C[C@@H]1CCCCN1C[C@H](O)COc1ccc(F)cc1 ZINC000934510399 624549160 /nfs/dbraw/zinc/54/91/60/624549160.db2.gz INFKHBGADBVIMM-CABCVRRESA-N 0 3 277.339 2.053 20 30 CEEDHN C#C[C@@H]1CCCCN1C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000934518302 624557845 /nfs/dbraw/zinc/55/78/45/624557845.db2.gz GSZCMRLUNVUJOV-KZNAEPCWSA-N 0 3 287.403 2.349 20 30 CEEDHN C#C[C@@H](C)NC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000820417500 634402212 /nfs/dbraw/zinc/40/22/12/634402212.db2.gz ZDEZMZHDVMOGGW-WBVHZDCISA-N 0 3 299.418 2.314 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccncc2CC)C1 ZINC001023452204 625016807 /nfs/dbraw/zinc/01/68/07/625016807.db2.gz ULBUCLPKMDRSPE-OAHLLOKOSA-N 0 3 299.418 2.109 20 30 CEEDHN C=CCN1CCC[C@@H](CNC(=O)c2cc(OC)cs2)C1 ZINC001023526332 625033375 /nfs/dbraw/zinc/03/33/75/625033375.db2.gz FOEKXRHGNJIIRP-LBPRGKRZSA-N 0 3 294.420 2.385 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001023591436 625054760 /nfs/dbraw/zinc/05/47/60/625054760.db2.gz ZTROFKVXMJCBKO-CQSZACIVSA-N 0 3 299.418 2.357 20 30 CEEDHN C=CCN1CCC[C@H](CNC(=O)c2cnoc2C2CC2)C1 ZINC001023678418 625113183 /nfs/dbraw/zinc/11/31/83/625113183.db2.gz VSPPCVHZSYAKBR-GFCCVEGCSA-N 0 3 289.379 2.180 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2sccc2CC)C1 ZINC001023763336 625201008 /nfs/dbraw/zinc/20/10/08/625201008.db2.gz JIPSQFHLCGZMQY-CYBMUJFWSA-N 0 3 290.432 2.386 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2c(C)cccc2F)C1 ZINC001023776556 625210742 /nfs/dbraw/zinc/21/07/42/625210742.db2.gz ZWVWSOJZGWPREW-CQSZACIVSA-N 0 3 288.366 2.209 20 30 CEEDHN N#CCC[C@@H](NC1CCS(=O)(=O)CC1)c1ccccc1 ZINC000291212965 625276572 /nfs/dbraw/zinc/27/65/72/625276572.db2.gz RILGTTOALDHLHH-OAHLLOKOSA-N 0 3 292.404 2.198 20 30 CEEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001024659858 625743772 /nfs/dbraw/zinc/74/37/72/625743772.db2.gz HILJCAWEEVNBSA-QLFBSQMISA-N 0 3 280.412 2.101 20 30 CEEDHN N#CC1(CN[C@@H]2CCOC23CCOCC3)CCCCC1 ZINC000926711701 625799867 /nfs/dbraw/zinc/79/98/67/625799867.db2.gz IJCJWMGHVLJJHT-CQSZACIVSA-N 0 3 278.396 2.388 20 30 CEEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CSC ZINC001025196814 627378875 /nfs/dbraw/zinc/37/88/75/627378875.db2.gz CMHHZVLKJWKILY-HUUCEWRRSA-N 0 3 294.464 2.218 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001007595125 627665193 /nfs/dbraw/zinc/66/51/93/627665193.db2.gz JSRVJCOJRRONDX-ZFWWWQNUSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C)co2)C1 ZINC001025513037 627730109 /nfs/dbraw/zinc/73/01/09/627730109.db2.gz OLBUKOMVUHBTQW-KGLIPLIRSA-N 0 3 274.364 2.052 20 30 CEEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C)cc2)C1 ZINC001025602579 627787292 /nfs/dbraw/zinc/78/72/92/627787292.db2.gz IVTZVESYTGDXDD-NVXWUHKLSA-N 0 3 284.403 2.459 20 30 CEEDHN C#CCN1CCC[C@@H](N[C@H](C)c2c(C)noc2C)C1 ZINC000926865888 627858312 /nfs/dbraw/zinc/85/83/12/627858312.db2.gz IRGFKHOHXBLSMD-BXUZGUMPSA-N 0 3 261.369 2.040 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001020328780 627952612 /nfs/dbraw/zinc/95/26/12/627952612.db2.gz KJDDDWJGNNHAGQ-XYPYZODXSA-N 0 3 274.767 2.258 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1ccoc1 ZINC000123271362 628377572 /nfs/dbraw/zinc/37/75/72/628377572.db2.gz OVJYFYIPWLUASY-CYBMUJFWSA-N 0 3 276.336 2.227 20 30 CEEDHN C#CC[C@@H](CO)NCc1cnc(-c2ccccc2)s1 ZINC000821207498 634655924 /nfs/dbraw/zinc/65/59/24/634655924.db2.gz TUJVTBUAUOGRCA-ZDUSSCGKSA-N 0 3 272.373 2.284 20 30 CEEDHN N#CC1(CCCCN2CCC[C@@H]3CCNC(=O)[C@@H]32)CCC1 ZINC000931703043 628800766 /nfs/dbraw/zinc/80/07/66/628800766.db2.gz GBUXRYHIBWNWPV-HUUCEWRRSA-N 0 3 289.423 2.451 20 30 CEEDHN C=CCCCNCc1cn(Cc2ccccc2)nn1 ZINC000894119228 629141986 /nfs/dbraw/zinc/14/19/86/629141986.db2.gz GIULHPVFROXBHU-UHFFFAOYSA-N 0 3 256.353 2.382 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)[C@H]1OC ZINC000894271356 629288642 /nfs/dbraw/zinc/28/86/42/629288642.db2.gz RDJBEADRIBJBEX-RBSFLKMASA-N 0 3 294.782 2.494 20 30 CEEDHN COC(=O)[C@@H]1[C@@H](CN[C@@H](C)c2cccc(C#N)c2)C1(F)F ZINC000894306970 629328643 /nfs/dbraw/zinc/32/86/43/629328643.db2.gz FBEDUQIYQFBDHH-BIMULSAOSA-N 0 3 294.301 2.263 20 30 CEEDHN CCCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000048540748 629399230 /nfs/dbraw/zinc/39/92/30/629399230.db2.gz OJUOTDIKUBMLSV-CYBMUJFWSA-N 0 3 258.321 2.202 20 30 CEEDHN C=C(CN(C)C)C(=O)N(Cc1ccc(Cl)cc1)OC ZINC000795058922 629426332 /nfs/dbraw/zinc/42/63/32/629426332.db2.gz AQDKWEXZHXCEQN-UHFFFAOYSA-N 0 3 282.771 2.348 20 30 CEEDHN CC(C)(O)CN1CC[C@H](Nc2ccc(C#N)cc2Cl)C1 ZINC000894863176 629701488 /nfs/dbraw/zinc/70/14/88/629701488.db2.gz NDFIDQXQFFKZRS-LBPRGKRZSA-N 0 3 293.798 2.469 20 30 CEEDHN C#CCN1CCC(C(=O)NCC[C@@H](C)CCC)CC1 ZINC000881529126 629818300 /nfs/dbraw/zinc/81/83/00/629818300.db2.gz KYMDOXOOQALHRR-AWEZNQCLSA-N 0 3 264.413 2.274 20 30 CEEDHN C#CCN(CCN1CCO[C@@H](C)C1)[C@@H]1CCc2ccccc21 ZINC000192724867 629887389 /nfs/dbraw/zinc/88/73/89/629887389.db2.gz STHDIKZPDTWEEX-QFBILLFUSA-N 0 3 298.430 2.330 20 30 CEEDHN C#CCCN[C@@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000796500293 629921818 /nfs/dbraw/zinc/92/18/18/629921818.db2.gz PTKHBPDFVBPWHV-HNNXBMFYSA-N 0 3 263.312 2.217 20 30 CEEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCC(F)F)cc1 ZINC000796630753 629948641 /nfs/dbraw/zinc/94/86/41/629948641.db2.gz QQHSXAKAHYWXSN-NSHDSACASA-N 0 3 296.273 2.388 20 30 CEEDHN C=CCCCN(CC)CN1C[C@H](C(F)F)CC1=O ZINC000902669029 634775961 /nfs/dbraw/zinc/77/59/61/634775961.db2.gz HTTZYRLFWWACAQ-LLVKDONJSA-N 0 3 260.328 2.346 20 30 CEEDHN N#Cc1csc(CN2CCCCC[C@H]2CO)c1 ZINC000895151126 629965918 /nfs/dbraw/zinc/96/59/18/629965918.db2.gz HIIIKQPQFAQPFX-LBPRGKRZSA-N 0 3 250.367 2.357 20 30 CEEDHN C=CCCCCC[C@H](C)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895157617 629973210 /nfs/dbraw/zinc/97/32/10/629973210.db2.gz CZJCCVZXJOBXFH-STQMWFEESA-N 0 3 254.374 2.481 20 30 CEEDHN C[C@@H]1CCC(C)(C)C[C@H]1[NH2+][C@H]1CCCN([O-])C1=O ZINC000895157379 629973414 /nfs/dbraw/zinc/97/34/14/629973414.db2.gz PLWXFFQZADRMFP-GRYCIOLGSA-N 0 3 254.374 2.171 20 30 CEEDHN C[C@H]1C[C@@H]([NH2+][C@H]2CCCN([O-])C2=O)CC(C)(C)C1 ZINC000895157264 629973581 /nfs/dbraw/zinc/97/35/81/629973581.db2.gz OHKWUFKOTXXNGY-TUAOUCFPSA-N 0 3 254.374 2.171 20 30 CEEDHN O=C1[C@@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)CCCN1[O-] ZINC000895159405 629976404 /nfs/dbraw/zinc/97/64/04/629976404.db2.gz VFEXWPRUTGAWGB-FZMZJTMJSA-N 0 3 294.782 2.167 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000895160442 629978029 /nfs/dbraw/zinc/97/80/29/629978029.db2.gz ILYLCCWSMSBKSU-QWHCGFSZSA-N 0 3 265.401 2.077 20 30 CEEDHN CC1=NO[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000895301878 630093848 /nfs/dbraw/zinc/09/38/48/630093848.db2.gz MMHGODDPHAAIMJ-OAHLLOKOSA-N 0 3 269.348 2.496 20 30 CEEDHN C#C[C@H](NCc1cnc(F)cc1C)C1CCOCC1 ZINC000895434539 630183076 /nfs/dbraw/zinc/18/30/76/630183076.db2.gz AQMBJBUSDZZPFV-AWEZNQCLSA-N 0 3 262.328 2.047 20 30 CEEDHN C[C@@H]1[C@H](C(=O)C(C#N)C(=O)N2CCCC2)[C@H]1c1ccccc1 ZINC000797546970 630286964 /nfs/dbraw/zinc/28/69/64/630286964.db2.gz ARTHGXOSKIQHPY-HNKHHVNMSA-N 0 3 296.370 2.367 20 30 CEEDHN C=CCCSCCNC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000895693397 630304441 /nfs/dbraw/zinc/30/44/41/630304441.db2.gz CATMYPYLQJNSRZ-UONOGXRCSA-N 0 3 297.468 2.174 20 30 CEEDHN C[C@@H]1C[C@@]2(CC[C@H](CNCC#Cc3ccccc3)O2)CO1 ZINC000896055700 630450136 /nfs/dbraw/zinc/45/01/36/630450136.db2.gz XKVZLUYDZIQYPC-NXHRZFHOSA-N 0 3 285.387 2.354 20 30 CEEDHN C#CCOc1ccc(CN2CCO[C@H](C)CC2)cc1 ZINC000896585548 630604416 /nfs/dbraw/zinc/60/44/16/630604416.db2.gz VGBRTFKZXDBNGM-CQSZACIVSA-N 0 3 259.349 2.309 20 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C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000876557184 650324869 /nfs/dbraw/zinc/32/48/69/650324869.db2.gz FTRDWHAVMBVCQI-NSHDSACASA-N 0 3 296.754 2.256 20 30 CEEDHN Cc1ccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)cc1C#N ZINC000831798523 637438956 /nfs/dbraw/zinc/43/89/56/637438956.db2.gz NQAHTBCJNMIGPQ-OKILXGFUSA-N 0 3 285.391 2.356 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccccc1Cl ZINC000876575747 650339953 /nfs/dbraw/zinc/33/99/53/650339953.db2.gz RJKKGHGCPAATAW-GFCCVEGCSA-N 0 3 287.190 2.469 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cccc(OC)c1 ZINC000876576407 650341156 /nfs/dbraw/zinc/34/11/56/650341156.db2.gz JUMOEUIEJRJGBL-MFKMUULPSA-N 0 3 282.771 2.342 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(F)cc1F ZINC000876578946 650343809 /nfs/dbraw/zinc/34/38/09/650343809.db2.gz HYARHZGIZDVKIR-NSHDSACASA-N 0 3 274.698 2.051 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCCOC)cc1 ZINC000876592243 650350034 /nfs/dbraw/zinc/35/00/34/650350034.db2.gz DLBWCLMKEBNKJE-ZDUSSCGKSA-N 0 3 298.770 2.120 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000876602715 650355365 /nfs/dbraw/zinc/35/53/65/650355365.db2.gz ULUKRSUICSAMDA-CYBMUJFWSA-N 0 3 296.773 2.443 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ncc(CC)s1 ZINC000876624245 650364884 /nfs/dbraw/zinc/36/48/84/650364884.db2.gz BKBMWNBDOKQUPL-QMMMGPOBSA-N 0 3 259.762 2.114 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(CC(C)C)nn1C ZINC000876630353 650367670 /nfs/dbraw/zinc/36/76/70/650367670.db2.gz XPZYMQPBFKARTK-NSHDSACASA-N 0 3 284.791 2.027 20 30 CEEDHN C=CCCc1noc([C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000834819533 637959779 /nfs/dbraw/zinc/95/97/79/637959779.db2.gz XRCUFPXPIZILFX-QGZVFWFLSA-N 0 3 299.374 2.282 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cnn(C(C)C)c1 ZINC000876660613 650384128 /nfs/dbraw/zinc/38/41/28/650384128.db2.gz WAECQQPZLGZZPA-PWSUYJOCSA-N 0 3 284.791 2.111 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(C)cc1 ZINC000876667395 650387182 /nfs/dbraw/zinc/38/71/82/650387182.db2.gz DDDQDLJLCAOZTN-CYBMUJFWSA-N 0 3 266.772 2.124 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000876686825 650399081 /nfs/dbraw/zinc/39/90/81/650399081.db2.gz BBRWTZVFJZIURU-UONOGXRCSA-N 0 3 294.782 2.056 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCS[C@H]2CCCC[C@H]21 ZINC000876686914 650399178 /nfs/dbraw/zinc/39/91/78/650399178.db2.gz BXMDWLYDIWFKCH-TUAOUCFPSA-N 0 3 288.844 2.343 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](CCC)C1 ZINC000876687204 650399960 /nfs/dbraw/zinc/39/99/60/650399960.db2.gz GFZUXLKBXLUUAK-NEPJUHHUSA-N 0 3 258.793 2.495 20 30 CEEDHN C#CCO[C@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000835456219 638263015 /nfs/dbraw/zinc/26/30/15/638263015.db2.gz SFPXVMMASWJXKW-MWLCHTKSSA-N 0 3 296.248 2.315 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H]3C=CCCC3)CCC[C@H]12 ZINC000991326776 638290486 /nfs/dbraw/zinc/29/04/86/638290486.db2.gz DCHAJUTUIYQJJW-SOLBZPMBSA-N 0 3 286.419 2.479 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N(C)CCOc1ccccc1F ZINC000912143079 638581618 /nfs/dbraw/zinc/58/16/18/638581618.db2.gz IVZRAQIMAHUCNI-CQSZACIVSA-N 0 3 294.370 2.347 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCCC[C@@H]1CC ZINC000836242155 638583485 /nfs/dbraw/zinc/58/34/85/638583485.db2.gz JJAJAXSYDLPVLX-LSDHHAIUSA-N 0 3 279.428 2.210 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCC[C@@H](CC)C1 ZINC000836320600 638599603 /nfs/dbraw/zinc/59/96/03/638599603.db2.gz PXCIGMLQEYKASG-CABCVRRESA-N 0 3 279.428 2.210 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000912206486 638606114 /nfs/dbraw/zinc/60/61/14/638606114.db2.gz GEEPHUQJVUHTEC-CQSZACIVSA-N 0 3 290.363 2.024 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccccc1OCC ZINC000912238354 638611158 /nfs/dbraw/zinc/61/11/58/638611158.db2.gz XFBVXIQAYFVCIK-CQSZACIVSA-N 0 3 276.380 2.385 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC(C1CCC1)C1CCC1 ZINC000836455326 638639194 /nfs/dbraw/zinc/63/91/94/638639194.db2.gz IQXJOVCALYSQAF-UHFFFAOYSA-N 0 3 291.439 2.210 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)CCC=C(C)C ZINC000836490947 638649239 /nfs/dbraw/zinc/64/92/39/638649239.db2.gz CLXYQEIFZXEHKL-HNNXBMFYSA-N 0 3 279.428 2.376 20 30 CEEDHN C=CCCOCCCCC(=O)N1CC[C@H](N2CCC2)C1 ZINC000912911351 639077971 /nfs/dbraw/zinc/07/79/71/639077971.db2.gz GQBJSKGQEKTETG-HNNXBMFYSA-N 0 3 280.412 2.056 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCO[C@H](CC(C)C)C1 ZINC000876895155 650476930 /nfs/dbraw/zinc/47/69/30/650476930.db2.gz ZUCFKEKVHZAPJB-XQQFMLRXSA-N 0 3 288.819 2.166 20 30 CEEDHN CN(C)CCN(C(=O)C#CC1CC1)C1CCCCC1 ZINC000837409428 639218666 /nfs/dbraw/zinc/21/86/66/639218666.db2.gz GYKSEFHQFQYJSQ-UHFFFAOYSA-N 0 3 262.397 2.123 20 30 CEEDHN C[C@@H](CNC(=O)C#CC1CC1)N(C)Cc1ccccc1 ZINC000837408276 639218841 /nfs/dbraw/zinc/21/88/41/639218841.db2.gz CVAZJPVMPJJPQG-AWEZNQCLSA-N 0 3 270.376 2.037 20 30 CEEDHN CC(C)OCCN1CCC(NC(=O)C#CC(C)(C)C)CC1 ZINC000837451363 639233984 /nfs/dbraw/zinc/23/39/84/639233984.db2.gz JQSMYALWUIHFIA-UHFFFAOYSA-N 0 3 294.439 2.042 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccccc1 ZINC000876543618 639287760 /nfs/dbraw/zinc/28/77/60/639287760.db2.gz HEEDSYWZRUYQPE-CMPLNLGQSA-N 0 3 252.745 2.334 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCc2ccccc21 ZINC000876967049 650511039 /nfs/dbraw/zinc/51/10/39/650511039.db2.gz BWXHODAWVGFFAO-QWHCGFSZSA-N 0 3 264.756 2.260 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@H]1c1ccccc1OC ZINC000876971188 650512980 /nfs/dbraw/zinc/51/29/80/650512980.db2.gz NIENIUXWDVIILX-RWMBFGLXSA-N 0 3 294.782 2.137 20 30 CEEDHN Cc1cc(N(C)C)ccc1C=NN[C@@H]1CCSC1 ZINC000841636634 639805884 /nfs/dbraw/zinc/80/58/84/639805884.db2.gz BMRIWCGEUKIDDZ-CYBMUJFWSA-N 0 3 263.410 2.490 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000232480669 639925186 /nfs/dbraw/zinc/92/51/86/639925186.db2.gz FGXUWAOIGMXXFU-WBVHZDCISA-N 0 3 271.360 2.356 20 30 CEEDHN Cc1ncccc1OC[C@@H]1CCCN1CCO[C@@H](C)C#N ZINC000842173152 639972938 /nfs/dbraw/zinc/97/29/38/639972938.db2.gz LAJWGXACXFPTNQ-ZFWWWQNUSA-N 0 3 289.379 2.162 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)c3cc[nH]c3C(C)C)CCC[C@@H]12 ZINC000992149890 639974339 /nfs/dbraw/zinc/97/43/39/639974339.db2.gz OKAKSBSTOZIZLU-CRAIPNDOSA-N 0 3 299.418 2.498 20 30 CEEDHN CCc1cc(CN[C@@H](C)CC2(C#N)CCOCC2)[nH]n1 ZINC000877033964 650540363 /nfs/dbraw/zinc/54/03/63/650540363.db2.gz TVNTWITWQLDESO-LBPRGKRZSA-N 0 3 276.384 2.161 20 30 CEEDHN CCc1cc(CN[C@@H](C)CC2(C#N)CCOCC2)n[nH]1 ZINC000877033964 650540368 /nfs/dbraw/zinc/54/03/68/650540368.db2.gz TVNTWITWQLDESO-LBPRGKRZSA-N 0 3 276.384 2.161 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CC34CC4)CCC[C@H]12 ZINC000992281953 640012572 /nfs/dbraw/zinc/01/25/72/640012572.db2.gz DFNKNNOCTKUJHV-HEHGZKQESA-N 0 3 260.381 2.086 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3C3CCC3)CCC[C@@H]12 ZINC000992332221 640026994 /nfs/dbraw/zinc/02/69/94/640026994.db2.gz AFMHMFRNFLIIAD-LHHMISFZSA-N 0 3 286.419 2.169 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3cccn3CC)CCC[C@H]12 ZINC000992481688 640118370 /nfs/dbraw/zinc/11/83/70/640118370.db2.gz BWJNVKSOQUECPF-DOTOQJQBSA-N 0 3 287.407 2.421 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC2(CC2)CC1 ZINC000877093686 650568770 /nfs/dbraw/zinc/56/87/70/650568770.db2.gz UWVPVFAFPYFJPU-LLVKDONJSA-N 0 3 256.777 2.249 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(COC)c(OC)c1 ZINC000877087884 650565834 /nfs/dbraw/zinc/56/58/34/650565834.db2.gz VRODMTUEZIPDDR-LBPRGKRZSA-N 0 3 298.770 2.250 20 30 CEEDHN C#CCSCCNCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000152925988 640358475 /nfs/dbraw/zinc/35/84/75/640358475.db2.gz OAWDDVKDUXLEGN-GFCCVEGCSA-N 0 3 291.416 2.475 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccccn2)[C@@H]1C ZINC000992948551 640379029 /nfs/dbraw/zinc/37/90/29/640379029.db2.gz ITANBVKGUDKGDT-UONOGXRCSA-N 0 3 273.380 2.240 20 30 CEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2cccs2)[C@H]1C ZINC000992986305 640392132 /nfs/dbraw/zinc/39/21/32/640392132.db2.gz XSLRISRSWSOIBZ-TZMCWYRMSA-N 0 3 278.421 2.446 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccccc2F)[C@@H]1C ZINC000992987695 640397128 /nfs/dbraw/zinc/39/71/28/640397128.db2.gz QJJSNWWQLIDMGW-BBRMVZONSA-N 0 3 288.366 2.432 20 30 CEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccsc2)[C@H]1C ZINC000993008480 640400128 /nfs/dbraw/zinc/40/01/28/640400128.db2.gz BIGJGWIYWLWHQC-TZMCWYRMSA-N 0 3 278.421 2.446 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccsc2)[C@H]1C ZINC000993055336 640419424 /nfs/dbraw/zinc/41/94/24/640419424.db2.gz OBVKDEHFJUSTIM-TZMCWYRMSA-N 0 3 276.405 2.354 20 30 CEEDHN C#CC1CCN(Cc2ccc(N(C)CCOC)nc2)CC1 ZINC000843426946 640426928 /nfs/dbraw/zinc/42/69/28/640426928.db2.gz NZGQMTNAIVPUMD-UHFFFAOYSA-N 0 3 287.407 2.009 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@H]1C ZINC000993129947 640468348 /nfs/dbraw/zinc/46/83/48/640468348.db2.gz YCELYUSECJOEHP-ZIAGYGMSSA-N 0 3 290.411 2.185 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001015601465 640514700 /nfs/dbraw/zinc/51/47/00/640514700.db2.gz PDCORXMPMPWYQQ-AWEZNQCLSA-N 0 3 262.397 2.027 20 30 CEEDHN C=CCCN1CCC[C@H](NC(=O)c2ocnc2C)[C@H]1C ZINC000993189261 640527884 /nfs/dbraw/zinc/52/78/84/640527884.db2.gz WYWLZPVUQWYRLP-OLZOCXBDSA-N 0 3 277.368 2.142 20 30 CEEDHN CCCCCCCN1CCN(c2nnc(C)n2C)CC1 ZINC000879191149 651257673 /nfs/dbraw/zinc/25/76/73/651257673.db2.gz JLOHJJXFOLNIQG-UHFFFAOYSA-N 0 3 279.432 2.216 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)sn2)[C@@H]1C ZINC000993261058 640570529 /nfs/dbraw/zinc/57/05/29/640570529.db2.gz RVFCGRXLNHRANZ-QWHCGFSZSA-N 0 3 291.420 2.058 20 30 CEEDHN Cc1cc([C@H](N)CC(=O)N(C)[C@H](C)CC#N)cc(Cl)n1 ZINC000877146170 650594875 /nfs/dbraw/zinc/59/48/75/650594875.db2.gz UCIAGIQXKOURBC-ZYHUDNBSSA-N 0 3 294.786 2.194 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(CC)o2)[C@H]1C ZINC000993489161 640651633 /nfs/dbraw/zinc/65/16/33/640651633.db2.gz RCAORJMQUMJDKB-UKRRQHHQSA-N 0 3 288.391 2.448 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2ncc(C)cc2C)[C@@H]1C ZINC000993626774 640664559 /nfs/dbraw/zinc/66/45/59/640664559.db2.gz WNGDTWHQADDPSW-HOTGVXAUSA-N 0 3 299.418 2.304 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(C)CC=CC2)[C@H]1C ZINC000993782066 640678698 /nfs/dbraw/zinc/67/86/98/640678698.db2.gz YMVLDKXDSODPHO-HUUCEWRRSA-N 0 3 274.408 2.335 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2[nH]c(C)nc2C)[C@@H]1C ZINC000993856884 640683751 /nfs/dbraw/zinc/68/37/51/640683751.db2.gz PJNQYARVLOXQRX-JSGCOSHPSA-N 0 3 290.411 2.185 20 30 CEEDHN C[C@@H]1CC[C@@H](CN(C)C[C@H](O)c2cccc(C#N)c2)O1 ZINC000844370208 640695771 /nfs/dbraw/zinc/69/57/71/640695771.db2.gz GGMYONZSQAASSB-KCXAZCMYSA-N 0 3 274.364 2.091 20 30 CEEDHN CN(CCC(C)(C)C#N)C[C@H](O)c1cccc(C#N)c1 ZINC000844368505 640695881 /nfs/dbraw/zinc/69/58/81/640695881.db2.gz YBSAAJPQCSFERL-HNNXBMFYSA-N 0 3 271.364 2.463 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2c[nH]cc2C2CC2)[C@@H]1C ZINC000994134964 640696018 /nfs/dbraw/zinc/69/60/18/640696018.db2.gz LJWXBYYNNALTEF-SUMWQHHRSA-N 0 3 299.418 2.498 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2c[nH]cc2C2CC2)[C@H]1C ZINC000994134958 640696306 /nfs/dbraw/zinc/69/63/06/640696306.db2.gz LJWXBYYNNALTEF-DYVFJYSZSA-N 0 3 299.418 2.498 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCN(CC(=C)C)[C@H]2C)nc1 ZINC000994242407 640716487 /nfs/dbraw/zinc/71/64/87/640716487.db2.gz QHSIYZPFYYQURT-GOEBONIOSA-N 0 3 297.402 2.222 20 30 CEEDHN CCN(CC)c1ccc(C=NN2CCN(C)CC2)cc1 ZINC000916247982 640746819 /nfs/dbraw/zinc/74/68/19/640746819.db2.gz BXAPLRFBWDXQFJ-UHFFFAOYSA-N 0 3 274.412 2.114 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001015755194 640832561 /nfs/dbraw/zinc/83/25/61/640832561.db2.gz KTRNTQHVFJIVFP-ZWKOTPCHSA-N 0 3 296.414 2.005 20 30 CEEDHN C=CCNC(=S)N(CCN(C)C)Cc1ccccc1F ZINC000917584184 640899907 /nfs/dbraw/zinc/89/99/07/640899907.db2.gz KXKKFEJJZXFRAG-UHFFFAOYSA-N 0 3 295.427 2.250 20 30 CEEDHN CNC(=O)C(C#N)C(=O)CCCc1ccc2c(c1)CCCC2 ZINC000845445139 640976544 /nfs/dbraw/zinc/97/65/44/640976544.db2.gz KFWCBGJXEDRIEF-MRXNPFEDSA-N 0 3 298.386 2.343 20 30 CEEDHN C#CCN(C(=O)N[C@H](C)C1CCCC1)C1CCN(C)CC1 ZINC000918681617 640979791 /nfs/dbraw/zinc/97/97/91/640979791.db2.gz KTBPUBMEOXQZDA-CQSZACIVSA-N 0 3 291.439 2.304 20 30 CEEDHN C=C[C@H](C)ONC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000845628476 641027159 /nfs/dbraw/zinc/02/71/59/641027159.db2.gz YKVBOWABPPTKSD-CFVMTHIKSA-N 0 3 289.379 2.237 20 30 CEEDHN N#CC1(C(=O)OCCN2CCCCC2)CCCCC1 ZINC000920020300 641105654 /nfs/dbraw/zinc/10/56/54/641105654.db2.gz QRODNEBTAQOWPB-UHFFFAOYSA-N 0 3 264.369 2.490 20 30 CEEDHN C#CCCCCC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000180073186 641408118 /nfs/dbraw/zinc/40/81/18/641408118.db2.gz CMWWLAKVGIVZDO-UHFFFAOYSA-N 0 3 287.407 2.165 20 30 CEEDHN CC[C@H](N)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000877291786 650660074 /nfs/dbraw/zinc/66/00/74/650660074.db2.gz NINFKMZYUPDXAI-WDEREUQCSA-N 0 3 285.269 2.015 20 30 CEEDHN CC1(C)[C@H](NCc2cc(Cl)ccc2OCC#N)C[C@@H]1O ZINC000846959384 641499072 /nfs/dbraw/zinc/49/90/72/641499072.db2.gz LDAMRFREJILMSV-KGLIPLIRSA-N 0 3 294.782 2.491 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCC[C@@H]1C=CCC1 ZINC000877307793 650666123 /nfs/dbraw/zinc/66/61/23/650666123.db2.gz MJSTUGUVJWGRJK-NEPJUHHUSA-N 0 3 256.777 2.319 20 30 CEEDHN C#C[C@@H]1CCCN(CCC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000847017547 641523635 /nfs/dbraw/zinc/52/36/35/641523635.db2.gz CMMYSMMMSNXASC-CQSZACIVSA-N 0 3 299.370 2.376 20 30 CEEDHN C#C[C@@H]1CCCN([C@@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000847029260 641536100 /nfs/dbraw/zinc/53/61/00/641536100.db2.gz MFYYIKLNYMVFOY-LSDHHAIUSA-N 0 3 264.413 2.366 20 30 CEEDHN C[C@H](C#N)CNCC(C)(C)CNC(=O)OC(C)(C)C ZINC000877322158 650675567 /nfs/dbraw/zinc/67/55/67/650675567.db2.gz ZSWFJUVUOWLTCR-LLVKDONJSA-N 0 3 269.389 2.287 20 30 CEEDHN C#C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000847264615 641621357 /nfs/dbraw/zinc/62/13/57/641621357.db2.gz YTASILMQTSPKLG-WBVHZDCISA-N 0 3 299.418 2.344 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)OC[C@@H](C)N1CCCCC1 ZINC000847958629 641845938 /nfs/dbraw/zinc/84/59/38/641845938.db2.gz BZAOMUDBPWTSAX-KGLIPLIRSA-N 0 3 269.385 2.385 20 30 CEEDHN C#C[C@@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC000848285303 641951374 /nfs/dbraw/zinc/95/13/74/641951374.db2.gz SDFXJJVVIBSCDC-OAHLLOKOSA-N 0 3 264.413 2.370 20 30 CEEDHN Cn1c(Cl)ncc1CNCCOc1ccc(C#N)cc1 ZINC000848541938 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2.217 20 30 CEEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1cc[nH]n1 ZINC000922599701 643152190 /nfs/dbraw/zinc/15/21/90/643152190.db2.gz KINCRZHBERMGSP-UHFFFAOYSA-N 0 3 254.337 2.392 20 30 CEEDHN N#Cc1cnc(Cl)c(CNC[C@@H](CO)CC2CC2)c1 ZINC000877632247 650824018 /nfs/dbraw/zinc/82/40/18/650824018.db2.gz STZCVAVZWGVVCR-LBPRGKRZSA-N 0 3 279.771 2.105 20 30 CEEDHN C#CCN(Cc1ccccc1)C[C@@H](OC)[C@H]1CCOC1 ZINC000852044640 643276573 /nfs/dbraw/zinc/27/65/73/643276573.db2.gz HPTPTGXXIVSEQV-DLBZAZTESA-N 0 3 273.376 2.173 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000852101975 643306102 /nfs/dbraw/zinc/30/61/02/643306102.db2.gz JCRVVDGFKJXQST-OFQRWUPVSA-N 0 3 264.413 2.415 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000852102652 643307299 /nfs/dbraw/zinc/30/72/99/643307299.db2.gz MTGWCRQWKJGSFR-BLLLJJGKSA-N 0 3 262.397 2.167 20 30 CEEDHN C[C@H](CCC#N)CN1CCN(c2ccc(C#N)nc2)CC1 ZINC000877645791 650832191 /nfs/dbraw/zinc/83/21/91/650832191.db2.gz WNSHBHUNBIVFTP-CQSZACIVSA-N 0 3 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/nfs/dbraw/zinc/68/43/47/644684347.db2.gz XBWCQYHXHCCSKF-PTZVLDCSSA-N 0 3 283.375 2.028 20 30 CEEDHN C=CCN(C[C@@H](O)c1cc(Br)no1)C(C)C ZINC000877977449 650965104 /nfs/dbraw/zinc/96/51/04/650965104.db2.gz XFFKIHWHJRVJOU-SECBINFHSA-N 0 3 289.173 2.367 20 30 CEEDHN C#CCOc1ccc([C@@H](C)N[C@H](CO)CC(F)F)cc1 ZINC000760036212 645104928 /nfs/dbraw/zinc/10/49/28/645104928.db2.gz DGKLYVYEWYAKMJ-YPMHNXCESA-N 0 3 283.318 2.365 20 30 CEEDHN C#CC[C@H](COC)NCc1ccc(O[C@H](C)COC)cc1 ZINC000858333993 645122422 /nfs/dbraw/zinc/12/24/22/645122422.db2.gz FOPAVQPPRMYYTG-GDBMZVCRSA-N 0 3 291.391 2.228 20 30 CEEDHN C#CC[C@@H](COC)NCc1cccc(OCCCC#N)c1 ZINC000858336087 645124216 /nfs/dbraw/zinc/12/42/16/645124216.db2.gz VJPGPPJQOIZZCW-INIZCTEOSA-N 0 3 286.375 2.497 20 30 CEEDHN C[C@H](OCc1ccccc1)C(=O)C(C#N)c1ccncn1 ZINC000760335439 645141392 /nfs/dbraw/zinc/14/13/92/645141392.db2.gz UUYBNHDAINFZGV-GXTWGEPZSA-N 0 3 281.315 2.258 20 30 CEEDHN CCc1cccc(OCC(=O)C(C#N)c2ccncn2)c1 ZINC000760340749 645142632 /nfs/dbraw/zinc/14/26/32/645142632.db2.gz NWEZWHIJJDSEAF-AWEZNQCLSA-N 0 3 281.315 2.294 20 30 CEEDHN CC(C)(C(=O)NCCN1CCCCC1)c1ccc(C#N)cc1 ZINC000858499241 645181941 /nfs/dbraw/zinc/18/19/41/645181941.db2.gz XEYZSWGJAKEAKW-UHFFFAOYSA-N 0 3 299.418 2.438 20 30 CEEDHN C[C@@H]1CN(CC#Cc2cccc(Cl)c2)CCN1C ZINC000761077546 645233104 /nfs/dbraw/zinc/23/31/04/645233104.db2.gz MLCSWIFWLZNYTF-CYBMUJFWSA-N 0 3 262.784 2.327 20 30 CEEDHN C#CCNC(=O)CN(Cc1ccc(C)cc1)C(C)(C)C ZINC000859437722 645482852 /nfs/dbraw/zinc/48/28/52/645482852.db2.gz ICMOGXRDYWTGHI-UHFFFAOYSA-N 0 3 272.392 2.345 20 30 CEEDHN C[C@H](NC[C@H]1CC2(CC2)C(=O)O1)c1cccc(C#N)c1 ZINC000763727748 645570778 /nfs/dbraw/zinc/57/07/78/645570778.db2.gz CGBNGIIZUIZBJS-SMDDNHRTSA-N 0 3 270.332 2.305 20 30 CEEDHN C#CCC(C)(C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000765205991 645743897 /nfs/dbraw/zinc/74/38/97/645743897.db2.gz PYXGEAHFZQMPFS-AWEZNQCLSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(Cl)s1 ZINC000765506925 645778383 /nfs/dbraw/zinc/77/83/83/645778383.db2.gz MQPJINAHKPNHMY-SECBINFHSA-N 0 3 270.785 2.192 20 30 CEEDHN C#CCNC(=O)CCN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000765506535 645778962 /nfs/dbraw/zinc/77/89/62/645778962.db2.gz HQCDAFRYGHNYGC-OAHLLOKOSA-N 0 3 298.386 2.162 20 30 CEEDHN CCC[C@H](OCC)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000860465610 645799024 /nfs/dbraw/zinc/79/90/24/645799024.db2.gz KZSDRXZVXFJPSZ-OCCSQVGLSA-N 0 3 275.352 2.475 20 30 CEEDHN CCN1C[C@H](C)N(C[C@@H](O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000766255919 645865317 /nfs/dbraw/zinc/86/53/17/645865317.db2.gz ZGUJXFMIJQXILK-GRDNDAEWSA-N 0 3 287.407 2.006 20 30 CEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C23CC(C2)C3)c1 ZINC000860692268 645875538 /nfs/dbraw/zinc/87/55/38/645875538.db2.gz DAPADLFKWNZWKN-XOYHFGRZSA-N 0 3 282.343 2.120 20 30 CEEDHN C(=NNCCN1CCCCC1)c1cc(-c2ccccc2)[nH]n1 ZINC000767776871 646039840 /nfs/dbraw/zinc/03/98/40/646039840.db2.gz PQPXSRIBACPETJ-UHFFFAOYSA-N 0 3 297.406 2.486 20 30 CEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@H](F)c1ccccc1 ZINC000769297340 646238434 /nfs/dbraw/zinc/23/84/34/646238434.db2.gz ZGEDVEYESOKZDO-ZIAGYGMSSA-N 0 3 288.322 2.465 20 30 CEEDHN CO[C@@H]1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000769447713 646267451 /nfs/dbraw/zinc/26/74/51/646267451.db2.gz WBNKINWERFGNEA-SWLSCSKDSA-N 0 3 260.337 2.198 20 30 CEEDHN C#C[C@H](CC)NCc1c(C)[nH]c(C(=O)OCC)c1C ZINC000862362529 646413716 /nfs/dbraw/zinc/41/37/16/646413716.db2.gz AQSOOBMNTJIQHL-GFCCVEGCSA-N 0 3 262.353 2.310 20 30 CEEDHN C#CC[C@H]1CCN(Cc2c(Cl)n(C)nc2CC)C1 ZINC000862444432 646461950 /nfs/dbraw/zinc/46/19/50/646461950.db2.gz AEFJAECDSGGAMR-NSHDSACASA-N 0 3 265.788 2.481 20 30 CEEDHN C#CCOc1ccccc1CN[C@H]1CC=C(C(=O)OC)C1 ZINC000862464508 646468272 /nfs/dbraw/zinc/46/82/72/646468272.db2.gz AIRWLXCZRMXNOU-HNNXBMFYSA-N 0 3 285.343 2.050 20 30 CEEDHN CCC(=NNCCCn1ccnc1)c1ccc(N)cc1 ZINC000863126985 646648050 /nfs/dbraw/zinc/64/80/50/646648050.db2.gz RRSNSVSZLJRCLB-UHFFFAOYSA-N 0 3 271.368 2.259 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000773595979 646761715 /nfs/dbraw/zinc/76/17/15/646761715.db2.gz JMMKLQLWZAWXKD-WMLDXEAASA-N 0 3 299.418 2.144 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000119599902 646792097 /nfs/dbraw/zinc/79/20/97/646792097.db2.gz SFBXGRLWGLTVRQ-JSGCOSHPSA-N 0 3 286.331 2.315 20 30 CEEDHN C#CCNC(=O)CN[C@H](CCCC)c1ccc(OC)cc1 ZINC000775355332 646944996 /nfs/dbraw/zinc/94/49/96/646944996.db2.gz JPTZNQRKNAPUTI-MRXNPFEDSA-N 0 3 288.391 2.266 20 30 CEEDHN C#C[C@H](N[C@H](C)Cc1ccn(C(C)C)n1)[C@H]1CCCO1 ZINC000775571458 646967530 /nfs/dbraw/zinc/96/75/30/646967530.db2.gz HKGAJBUNVLQELQ-VNQPRFMTSA-N 0 3 275.396 2.165 20 30 CEEDHN C#C[C@@H](NCCOC1CCCCCC1)[C@H]1CCCO1 ZINC000775793049 646994068 /nfs/dbraw/zinc/99/40/68/646994068.db2.gz JASFSDOEIHTXPL-HZPDHXFCSA-N 0 3 265.397 2.496 20 30 CEEDHN C#CCN(CC)Cc1ccc2c(c1)CCC(=O)N2C ZINC000775911672 647005688 /nfs/dbraw/zinc/00/56/88/647005688.db2.gz SYMUDYAZHDDNPO-UHFFFAOYSA-N 0 3 256.349 2.051 20 30 CEEDHN C=CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776605586 647078808 /nfs/dbraw/zinc/07/88/08/647078808.db2.gz NJKWHBIMZCZGFH-CQSZACIVSA-N 0 3 262.309 2.279 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CNC[C@H](O)c1ccco1 ZINC000865408624 647279782 /nfs/dbraw/zinc/27/97/82/647279782.db2.gz ACRSUNDQYLVOAU-HNNXBMFYSA-N 0 3 285.347 2.040 20 30 CEEDHN N#Cc1cc([N+](=O)[O-])c(NCCN2CCCC2)cc1F ZINC000865414416 647283073 /nfs/dbraw/zinc/28/30/73/647283073.db2.gz RAOWLJGVIYUVHF-UHFFFAOYSA-N 0 3 278.287 2.113 20 30 CEEDHN Cc1ccc([C@H](O)CNCc2cc(C#N)ccc2N(C)C)o1 ZINC000865473059 647311436 /nfs/dbraw/zinc/31/14/36/647311436.db2.gz JLYZNEPOXONBKM-MRXNPFEDSA-N 0 3 299.374 2.349 20 30 CEEDHN C=CCCC[C@@H](C)NCc1cn(C[C@H]2CCCO2)nn1 ZINC000865522271 647338142 /nfs/dbraw/zinc/33/81/42/647338142.db2.gz NAIQHZRHRWQMET-UKRRQHHQSA-N 0 3 278.400 2.292 20 30 CEEDHN C=CCC[C@H](CO)NCc1cnc(Cl)c(F)c1 ZINC000865592868 647375390 /nfs/dbraw/zinc/37/53/90/647375390.db2.gz BAXGMZAYOSOOFH-SNVBAGLBSA-N 0 3 258.724 2.291 20 30 CEEDHN CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000780979760 647487714 /nfs/dbraw/zinc/48/77/14/647487714.db2.gz HUFGGZWKMXYGOB-UKRRQHHQSA-N 0 3 295.427 2.311 20 30 CEEDHN N#Cc1ccc2c(c1)C[C@H](NCc1ccncc1F)C2 ZINC000865846984 647491212 /nfs/dbraw/zinc/49/12/12/647491212.db2.gz CISOITXYRXTDFF-OAHLLOKOSA-N 0 3 267.307 2.349 20 30 CEEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1ccncc1F)C2 ZINC000865846983 647491341 /nfs/dbraw/zinc/49/13/41/647491341.db2.gz CISOITXYRXTDFF-HNNXBMFYSA-N 0 3 267.307 2.349 20 30 CEEDHN CCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866237754 647686915 /nfs/dbraw/zinc/68/69/15/647686915.db2.gz LJHURYRQMPJRGL-QWHCGFSZSA-N 0 3 273.380 2.256 20 30 CEEDHN N#CCCCOc1cccc(CN2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000783738042 647754772 /nfs/dbraw/zinc/75/47/72/647754772.db2.gz AUUHAMFKKPOZAH-DOTOQJQBSA-N 0 3 286.375 2.183 20 30 CEEDHN C=CCC[C@@H](C)NCc1cc(C(=O)OCC)no1 ZINC000866514996 647811705 /nfs/dbraw/zinc/81/17/05/647811705.db2.gz YIJSHFZUPRFYRA-SNVBAGLBSA-N 0 3 252.314 2.296 20 30 CEEDHN C[C@@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1ccn(C)n1 ZINC000866615903 647843577 /nfs/dbraw/zinc/84/35/77/647843577.db2.gz JNDMMZUOZCFTDY-ABAIWWIYSA-N 0 3 266.348 2.110 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)Cc1ccccc1F ZINC000121767900 647952089 /nfs/dbraw/zinc/95/20/89/647952089.db2.gz WNMFEDPAWFHAHA-DGCLKSJQSA-N 0 3 290.338 2.238 20 30 CEEDHN CC(C)(C#N)CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000786314363 648000180 /nfs/dbraw/zinc/00/01/80/648000180.db2.gz UCSFBRUQMPEBNL-GFCCVEGCSA-N 0 3 269.304 2.274 20 30 CEEDHN C[C@H](C#N)OCCN[C@H](CCO)c1ccc(Cl)cc1 ZINC000805821921 648055549 /nfs/dbraw/zinc/05/55/49/648055549.db2.gz MWSRJXRNWPDVAC-BXUZGUMPSA-N 0 3 282.771 2.282 20 30 CEEDHN CCC1(CC)CCCN(CC(=O)NCCC#N)CC1 ZINC000787341584 648101265 /nfs/dbraw/zinc/10/12/65/648101265.db2.gz PRFNRXVPKFMLNZ-UHFFFAOYSA-N 0 3 265.401 2.309 20 30 CEEDHN C=C(C)CN1CCC(NC(=S)NC2(C)CC2)CC1 ZINC000789232989 648274868 /nfs/dbraw/zinc/27/48/68/648274868.db2.gz LPWZHKPGFMUYMC-UHFFFAOYSA-N 0 3 267.442 2.044 20 30 CEEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000871187603 649027124 /nfs/dbraw/zinc/02/71/24/649027124.db2.gz HALPFIKTZZWQPZ-QGZVFWFLSA-N 0 3 284.403 2.489 20 30 CEEDHN Cn1cc(CCNC[C@@H](C#N)CCC#N)c2cccnc21 ZINC000871923535 649217154 /nfs/dbraw/zinc/21/71/54/649217154.db2.gz VRRZKEYZKQKXKV-CYBMUJFWSA-N 0 3 281.363 2.149 20 30 CEEDHN C#C[C@H]1CC[C@H](N[C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000871939565 649221581 /nfs/dbraw/zinc/22/15/81/649221581.db2.gz XCOSDLFIJKTVJF-KCPJHIHWSA-N 0 3 274.339 2.134 20 30 CEEDHN CN1CCC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])cc1C#N ZINC000872778764 649485888 /nfs/dbraw/zinc/48/58/88/649485888.db2.gz JRENYIKDSQAWLL-CABCVRRESA-N 0 3 286.335 2.139 20 30 CEEDHN CN1CCC[C@@H]2[C@@H]1CCN2c1nc(C#N)c(Cl)s1 ZINC000872778302 649485930 /nfs/dbraw/zinc/48/59/30/649485930.db2.gz FUTIWOCDGNPNPV-VHSXEESVSA-N 0 3 282.800 2.341 20 30 CEEDHN CCn1ccc(C(=O)C(C#N)c2ccncn2)c1C ZINC000873518464 649693025 /nfs/dbraw/zinc/69/30/25/649693025.db2.gz NQGVKKJYATUOKD-LBPRGKRZSA-N 0 3 254.293 2.097 20 30 CEEDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cccc(F)c1C#N ZINC000874832409 649845653 /nfs/dbraw/zinc/84/56/53/649845653.db2.gz FINQZIOYZRKNMF-HUUCEWRRSA-N 0 3 287.338 2.006 20 30 CEEDHN CC1(C#N)CCN(C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000878389734 651083632 /nfs/dbraw/zinc/08/36/32/651083632.db2.gz RQQGXGWMFYVMPH-HZPDHXFCSA-N 0 3 288.391 2.097 20 30 CEEDHN C=CC[C@H](C)N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000878524159 651120382 /nfs/dbraw/zinc/12/03/82/651120382.db2.gz NVFJBVIDBTZIIG-UONOGXRCSA-N 0 3 265.401 2.029 20 30 CEEDHN CCCCCC[C@H](O)CN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000878771586 651182347 /nfs/dbraw/zinc/18/23/47/651182347.db2.gz PNRKTJUDDWGAEN-JYJNAYRXSA-N 0 3 281.444 2.236 20 30 CEEDHN C[C@@H]1CN(C2CC(OC(C)(C)C)C2)C[C@@H](C)N1CC#N ZINC000878773532 651183569 /nfs/dbraw/zinc/18/35/69/651183569.db2.gz ZBHJNUYVHMLSQV-LMRVLLHPSA-N 0 3 279.428 2.251 20 30 CEEDHN CN1CCN(Cc2ccc(C#N)o2)C[C@@H]1C(C)(C)C ZINC000878838575 651195253 /nfs/dbraw/zinc/19/52/53/651195253.db2.gz CLPWITVOOZKPGR-CQSZACIVSA-N 0 3 261.369 2.313 20 30 CEEDHN CC[C@@](C)(NCC(=O)NCCC#N)c1ccc(F)cc1 ZINC000879129778 651247895 /nfs/dbraw/zinc/24/78/95/651247895.db2.gz ZXVDTRMYWIXXRF-OAHLLOKOSA-N 0 3 277.343 2.070 20 30 CEEDHN C#CCN(Cc1ccc(OC)cc1)[C@H](C)CCCO ZINC000879285065 651276163 /nfs/dbraw/zinc/27/61/63/651276163.db2.gz NYMRBWRWURRFLD-CQSZACIVSA-N 0 3 261.365 2.291 20 30 CEEDHN CN(CCc1cccc(C#N)c1)C[C@@H]1COC(C)(C)O1 ZINC000879432582 651302723 /nfs/dbraw/zinc/30/27/23/651302723.db2.gz MNOYOAZDUWRNAY-OAHLLOKOSA-N 0 3 274.364 2.184 20 30 CEEDHN COc1cccc([C@H]2CN(Cc3ccc(C#N)o3)CCN2)c1 ZINC000879522260 651315640 /nfs/dbraw/zinc/31/56/40/651315640.db2.gz HEDJQHCKRCRUCC-QGZVFWFLSA-N 0 3 297.358 2.306 20 30 CEEDHN N#Cc1ccc(N2CCN(CC[C@H]3CCCO3)CC2)cc1 ZINC000879586892 651327823 /nfs/dbraw/zinc/32/78/23/651327823.db2.gz YKESOTAHZKPSNL-QGZVFWFLSA-N 0 3 285.391 2.249 20 30 CEEDHN CC1(C)C[C@@H](O)CN(CCOc2ccc(C#N)cc2)C1 ZINC000879617437 651330364 /nfs/dbraw/zinc/33/03/64/651330364.db2.gz OPXDVIPJYIFKKP-CQSZACIVSA-N 0 3 274.364 2.030 20 30 CEEDHN C#CCCN1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880325379 651425329 /nfs/dbraw/zinc/42/53/29/651425329.db2.gz SKQWWIJORSTWGH-GFCCVEGCSA-N 0 3 292.404 2.441 20 30 CEEDHN Cc1cc(F)c(C#N)cc1NC(=O)N1CCCN(C)CC1 ZINC000880990642 651574089 /nfs/dbraw/zinc/57/40/89/651574089.db2.gz FNOTYNGHROCVPM-UHFFFAOYSA-N 0 3 290.342 2.175 20 30 CEEDHN C#CCN1CCC(C(=O)NCC[C@H]2CCCC2(F)F)CC1 ZINC000881582440 651805547 /nfs/dbraw/zinc/80/55/47/651805547.db2.gz SCAFDHTWZDQZIO-CQSZACIVSA-N 0 3 298.377 2.273 20 30 CEEDHN Cc1ccsc1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CC1 ZINC000129433770 651953218 /nfs/dbraw/zinc/95/32/18/651953218.db2.gz RMTZRGIMZXYDSY-IJLUTSLNSA-N 0 3 288.372 2.148 20 30 CEEDHN C#CCOc1ccc(CN2CCN(CC3CC3)CC2)cc1 ZINC000130667556 652307990 /nfs/dbraw/zinc/30/79/90/652307990.db2.gz INJQMLVSGVSXNN-UHFFFAOYSA-N 0 3 284.403 2.226 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2C=CCC2)CC1 ZINC000883341990 652436922 /nfs/dbraw/zinc/43/69/22/652436922.db2.gz 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/nfs/dbraw/zinc/65/85/06/652658506.db2.gz KDPIDDYTDMJYPM-RXFTYZNJSA-N 0 3 277.412 2.067 20 30 CEEDHN C[C@@H]1CCCC[C@H]1CNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884102672 652708889 /nfs/dbraw/zinc/70/88/89/652708889.db2.gz JLCWYHWHJVNJES-SFKIEKTPSA-N 0 3 289.423 2.068 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)C[C@H]2C=CCC2)[C@H]1CC ZINC001087497115 805585586 /nfs/dbraw/zinc/58/55/86/805585586.db2.gz XYCWJHVHUPQDIY-HRCADAONSA-N 0 3 274.408 2.335 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000696533862 805626229 /nfs/dbraw/zinc/62/62/29/805626229.db2.gz RXEBOBKHSXXKEC-CQSZACIVSA-N 0 3 262.397 2.028 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)sn2)[C@H]1CC ZINC001087556364 805744035 /nfs/dbraw/zinc/74/40/35/805744035.db2.gz IQAIKYJVVIZIKU-GXTWGEPZSA-N 0 3 291.420 2.058 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)[C@H]1CC ZINC001087690983 805773707 /nfs/dbraw/zinc/77/37/07/805773707.db2.gz YGHZOWFWOIHHBH-LZWOXQAQSA-N 0 3 262.397 2.498 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(C)c(C)c2)[C@H]1CC ZINC001087821259 805804441 /nfs/dbraw/zinc/80/44/41/805804441.db2.gz XZZJIMWJAQPSSS-ZWKOTPCHSA-N 0 3 298.430 2.448 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)n(C)c2C)[C@H]1CC ZINC001087823298 805804907 /nfs/dbraw/zinc/80/49/07/805804907.db2.gz NWLWCLPZPYTMFT-JKSUJKDBSA-N 0 3 289.423 2.411 20 30 CEEDHN COCCN1CCC(Oc2c(F)cccc2C#N)CC1 ZINC001227287352 805890389 /nfs/dbraw/zinc/89/03/89/805890389.db2.gz JANMFZJFQFYHQY-UHFFFAOYSA-N 0 3 278.327 2.187 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)CC3CC(C)(C)C3)C[C@@H]2C1 ZINC001088078412 805914594 /nfs/dbraw/zinc/91/45/94/805914594.db2.gz FSTQUXHRSIBQEM-CVEARBPZSA-N 0 3 288.435 2.226 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)C(CC)CC)[C@H](OC)C1 ZINC001211896623 805964553 /nfs/dbraw/zinc/96/45/53/805964553.db2.gz JNWSTBATRCFXHG-HUUCEWRRSA-N 0 3 282.428 2.204 20 30 CEEDHN C=C(C)CCN1C[C@@H]2CCN(C(=O)c3ccns3)[C@@H]2C1 ZINC001075847189 805972479 /nfs/dbraw/zinc/97/24/79/805972479.db2.gz OSDILHJDRCXTMM-QWHCGFSZSA-N 0 3 291.420 2.256 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)CCCC#CC)CC1 ZINC001279146862 806001727 /nfs/dbraw/zinc/00/17/27/806001727.db2.gz RKBKQBIGNQWSKA-HNNXBMFYSA-N 0 3 274.408 2.030 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC[C@H]3[C@H](CCN3CCF)C2)C1 ZINC001036815564 814927880 /nfs/dbraw/zinc/92/78/80/814927880.db2.gz GYHFMMPFEYIJIA-KGLIPLIRSA-N 0 3 280.387 2.235 20 30 CEEDHN C#CCNCCN(Cc1ccccc1)C(=O)c1ccns1 ZINC001271806601 806097454 /nfs/dbraw/zinc/09/74/54/806097454.db2.gz PPHAIJYMKLLHGV-UHFFFAOYSA-N 0 3 299.399 2.008 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(Cl)c[nH]1 ZINC001271963774 806162986 /nfs/dbraw/zinc/16/29/86/806162986.db2.gz YURBUCAJFKMVCX-UHFFFAOYSA-N 0 3 269.776 2.248 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)Cc2ccsc2)[C@H]1C ZINC001088453186 806250798 /nfs/dbraw/zinc/25/07/98/806250798.db2.gz ALBQOVZQQXNRJY-YPMHNXCESA-N 0 3 264.394 2.056 20 30 CEEDHN C=C(C)COc1ccccc1CN1C[C@@H](F)[C@@H](N)C1 ZINC001204824455 806322448 /nfs/dbraw/zinc/32/24/48/806322448.db2.gz TUHULMPFKNLFGA-KGLIPLIRSA-N 0 3 264.344 2.123 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@H]1C ZINC001088579787 806478094 /nfs/dbraw/zinc/47/80/94/806478094.db2.gz BWOALZDKBDISAV-LJIZCISZSA-N 0 3 274.408 2.354 20 30 CEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2ccns2)[C@H]1C ZINC001088600087 806501850 /nfs/dbraw/zinc/50/18/50/806501850.db2.gz VPRLSGPRUZFIPY-NEPJUHHUSA-N 0 3 279.409 2.302 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H](C)c3ccncc3)[C@@H]2C1 ZINC001075942180 806612555 /nfs/dbraw/zinc/61/25/55/806612555.db2.gz YVSIROXKNWYJQM-BHYGNILZSA-N 0 3 299.418 2.294 20 30 CEEDHN CC#CCN1CCC(CNC(=O)C2(C)CCC2)CC1 ZINC001224124647 806673826 /nfs/dbraw/zinc/67/38/26/806673826.db2.gz DJZLNYIDNUWYNE-UHFFFAOYSA-N 0 3 262.397 2.028 20 30 CEEDHN CC(C)C#CC(=O)NCCNCc1ccc(Cl)s1 ZINC001126828567 806706895 /nfs/dbraw/zinc/70/68/95/806706895.db2.gz YWZBGMUFLNZCDL-UHFFFAOYSA-N 0 3 284.812 2.267 20 30 CEEDHN CN(C)/C=N/c1ccc(NC2CSC2)cc1C#N ZINC001168364527 806758813 /nfs/dbraw/zinc/75/88/13/806758813.db2.gz QRXSVFDCNWPUNO-OQLLNIDSSA-N 0 3 260.366 2.307 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2Cc3ccccc32)[C@H]1C ZINC001088826786 806786251 /nfs/dbraw/zinc/78/62/51/806786251.db2.gz HBQLZSFCACNDSC-XYPHTWIQSA-N 0 3 284.403 2.481 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc43)[C@@H]2C1 ZINC001076196100 806825218 /nfs/dbraw/zinc/82/52/18/806825218.db2.gz ZDRFFYICUCKJTL-BHYGNILZSA-N 0 3 282.387 2.045 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)c3ccco3)[C@@H]2C1 ZINC001076234518 806828996 /nfs/dbraw/zinc/82/89/96/806828996.db2.gz HMRHGKVBTWOYIS-QLFBSQMISA-N 0 3 288.391 2.492 20 30 CEEDHN N#CC(C(=O)CCc1ccccc1Cl)C(=O)NC1CC1 ZINC000129160656 806950981 /nfs/dbraw/zinc/95/09/81/806950981.db2.gz FTICWRXZRPFUPN-LBPRGKRZSA-N 0 3 290.750 2.260 20 30 CEEDHN C=CCN(C)[C@H](C)CNC(=O)c1cnn(C(C)C)c1Cl ZINC001282435479 802426619 /nfs/dbraw/zinc/42/66/19/802426619.db2.gz WUGNAXXTGYRKTP-LLVKDONJSA-N 0 3 298.818 2.354 20 30 CEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001282454504 802444593 /nfs/dbraw/zinc/44/45/93/802444593.db2.gz CNLCUMRDZZTGRY-VYDXJSESSA-N 0 3 294.439 2.206 20 30 CEEDHN C=CCN(C)CCNC(=O)C[C@H](C)c1ccco1 ZINC001266350457 802475999 /nfs/dbraw/zinc/47/59/99/802475999.db2.gz MTGJENGSLXVZHW-LBPRGKRZSA-N 0 3 250.342 2.007 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)CC[C@H](C)CC)C1 ZINC001266350398 802476040 /nfs/dbraw/zinc/47/60/40/802476040.db2.gz SSQIDXRBTNDXSH-ZIAGYGMSSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CCCN(C)CCNC(=O)C[C@H](C)c1ccccc1 ZINC001266356628 802483083 /nfs/dbraw/zinc/48/30/83/802483083.db2.gz FJZBFRBTYCIHBL-HNNXBMFYSA-N 0 3 272.392 2.252 20 30 CEEDHN O=C(C#CC1CC1)N[C@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001266370632 802499612 /nfs/dbraw/zinc/49/96/12/802499612.db2.gz IGDQDDUXQFPSFM-NKROCUCGSA-N 0 3 292.810 2.123 20 30 CEEDHN C=CCN(CC)CCNC(=O)c1ccnn1-c1ccccc1 ZINC001266399367 802527326 /nfs/dbraw/zinc/52/73/26/802527326.db2.gz SVXXQUAAIKVJGK-UHFFFAOYSA-N 0 3 298.390 2.110 20 30 CEEDHN CC#CCCCC(=O)NC[C@H](NCc1ccccn1)C1CC1 ZINC001266427010 802562572 /nfs/dbraw/zinc/56/25/72/802562572.db2.gz SMEQUKHMNHCEJE-KRWDZBQOSA-N 0 3 299.418 2.260 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)Cc1occc1C ZINC001266480118 802625395 /nfs/dbraw/zinc/62/53/95/802625395.db2.gz KJJWJAFGKLWNPN-AWEZNQCLSA-N 0 3 276.380 2.287 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC[C@H](NC/C=C/Cl)C2)C1 ZINC001266547665 802701741 /nfs/dbraw/zinc/70/17/41/802701741.db2.gz XNHWROXTSXMEDE-PYEVWLCESA-N 0 3 268.788 2.286 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cccc(OC)c1C ZINC001167340517 802707077 /nfs/dbraw/zinc/70/70/77/802707077.db2.gz XTUWVKAAERSLMR-UHFFFAOYSA-N 0 3 296.798 2.466 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1 ZINC001039322765 802817951 /nfs/dbraw/zinc/81/79/51/802817951.db2.gz JYJAWHSECRLZDZ-CVEARBPZSA-N 0 3 285.391 2.337 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)c3ccc(F)s3)C2)C1 ZINC001041852802 802850092 /nfs/dbraw/zinc/85/00/92/802850092.db2.gz XEFDKVITMABRIQ-OAHLLOKOSA-N 0 3 292.379 2.058 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1[nH]ccc1C ZINC001038210545 802862829 /nfs/dbraw/zinc/86/28/29/802862829.db2.gz 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/nfs/dbraw/zinc/06/81/44/803068144.db2.gz ZINVSZCHTVYIOT-HNNXBMFYSA-N 0 3 272.392 2.252 20 30 CEEDHN COC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)nc1 ZINC001140545371 803102001 /nfs/dbraw/zinc/10/20/01/803102001.db2.gz BJBKOGHXGUXCAZ-YIONKMFJSA-N 0 3 257.337 2.095 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)CCCC)C1 ZINC001267105269 803131763 /nfs/dbraw/zinc/13/17/63/803131763.db2.gz JFCCTGYUZREIRJ-CABCVRRESA-N 0 3 264.413 2.369 20 30 CEEDHN C=CCC(C)(C)C(=O)NCC[C@@H](C)NCc1cnns1 ZINC001267146267 803162712 /nfs/dbraw/zinc/16/27/12/803162712.db2.gz NWMNGYAQAFPNOS-LLVKDONJSA-N 0 3 296.440 2.125 20 30 CEEDHN C#CCCN(C)CCNC(=O)c1ncoc1-c1ccccc1 ZINC001267199527 803225644 /nfs/dbraw/zinc/22/56/44/803225644.db2.gz QMTWEXNPFQCADG-UHFFFAOYSA-N 0 3 297.358 2.027 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001267203627 803229919 /nfs/dbraw/zinc/22/99/19/803229919.db2.gz HHHFTQGSKWSHLW-HNNXBMFYSA-N 0 3 292.427 2.094 20 30 CEEDHN C#CCCN(C)CCNC(=O)[C@@H](C)c1ccccc1C ZINC001267230946 803261619 /nfs/dbraw/zinc/26/16/19/803261619.db2.gz IWJBEZXUNPXFDA-HNNXBMFYSA-N 0 3 272.392 2.170 20 30 CEEDHN C=C(C)CCC(=O)NC[C@@H]1CCCN1CCOC1CCC1 ZINC001267268810 803313285 /nfs/dbraw/zinc/31/32/85/803313285.db2.gz GLKJKSSTLDPRKS-HNNXBMFYSA-N 0 3 294.439 2.492 20 30 CEEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCN1CCOCC ZINC001267275237 803321816 /nfs/dbraw/zinc/32/18/16/803321816.db2.gz DWQTWKSMUGKEEV-GOEBONIOSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](C)Cc1ccco1 ZINC001267278035 803324020 /nfs/dbraw/zinc/32/40/20/803324020.db2.gz DXEFYCWWNKGSDN-ZIAGYGMSSA-N 0 3 276.380 2.225 20 30 CEEDHN C#CCN1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001267297093 803341919 /nfs/dbraw/zinc/34/19/19/803341919.db2.gz ARHFASHAKBCLAO-YJBOKZPZSA-N 0 3 296.414 2.252 20 30 CEEDHN C=CCN(CCNC(=O)c1oc(C)cc1C)C1CC1 ZINC001267323825 803368572 /nfs/dbraw/zinc/36/85/72/803368572.db2.gz UKIRQWLAPCUQPE-UHFFFAOYSA-N 0 3 262.353 2.277 20 30 CEEDHN C=C(C)CN(CCNC(=O)[C@@H]1C[C@H]1c1cccnc1)C1CC1 ZINC001267333288 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C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1c[nH]cc1C ZINC001087318297 803528013 /nfs/dbraw/zinc/52/80/13/803528013.db2.gz VCOOVNLKTQLGNH-VNQPRFMTSA-N 0 3 299.418 2.175 20 30 CEEDHN C#CCCN1CC[C@H](N(CCC)C(=O)/C(C)=C/C)C1 ZINC001267540568 803537377 /nfs/dbraw/zinc/53/73/77/803537377.db2.gz PANCSLYLAOILEE-LULHVWEPSA-N 0 3 262.397 2.289 20 30 CEEDHN C[C@@H]1CCN(C[C@@H](O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000694922501 803596813 /nfs/dbraw/zinc/59/68/13/803596813.db2.gz JDYULWWSFZKZFN-DVOMOZLQSA-N 0 3 274.364 2.091 20 30 CEEDHN C=C[C@H](CC(=O)NCC1CN(CC)C1)c1ccccc1 ZINC001267699400 803664103 /nfs/dbraw/zinc/66/41/03/803664103.db2.gz RFCYZMXTZTXQKO-OAHLLOKOSA-N 0 3 272.392 2.414 20 30 CEEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OCC)C1CC1 ZINC001267707035 803668312 /nfs/dbraw/zinc/66/83/12/803668312.db2.gz YEWCKXIUORYORN-JYJNAYRXSA-N 0 3 292.423 2.053 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001267725285 803678214 /nfs/dbraw/zinc/67/82/14/803678214.db2.gz 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C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001028111556 804469203 /nfs/dbraw/zinc/46/92/03/804469203.db2.gz OKQSKHFVLOMJTC-OAHLLOKOSA-N 0 3 288.366 2.352 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc(C)ccc1F ZINC001028166227 804509948 /nfs/dbraw/zinc/50/99/48/804509948.db2.gz JGIPQRKTDQWJMN-AWEZNQCLSA-N 0 3 288.366 2.352 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(C)cc1F ZINC001028165931 804510011 /nfs/dbraw/zinc/51/00/11/804510011.db2.gz HYLGIXBAFKSFRB-AWEZNQCLSA-N 0 3 288.366 2.352 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CC1CC1 ZINC000692222200 804538536 /nfs/dbraw/zinc/53/85/36/804538536.db2.gz LCFHHVDLDQZKGK-MCIONIFRSA-N 0 3 250.386 2.365 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)cc2c[nH]nc21 ZINC001028201409 804541033 /nfs/dbraw/zinc/54/10/33/804541033.db2.gz YPUORADULPOAHP-AWEZNQCLSA-N 0 3 298.390 2.252 20 30 CEEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(C)o1 ZINC001268229611 804557810 /nfs/dbraw/zinc/55/78/10/804557810.db2.gz HABTYTCSYJDIHL-UHFFFAOYSA-N 0 3 250.342 2.168 20 30 CEEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1CC(F)(F)C1 ZINC001268359787 804630230 /nfs/dbraw/zinc/63/02/30/804630230.db2.gz LWJKXNZOKIQKII-VIFPVBQESA-N 0 3 280.746 2.269 20 30 CEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)COC(C)(C)C ZINC001268360747 804631194 /nfs/dbraw/zinc/63/11/94/804631194.db2.gz YGDBLDWUIHIYOH-LLVKDONJSA-N 0 3 276.808 2.038 20 30 CEEDHN C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)C(C)(C)C ZINC000691562465 815031959 /nfs/dbraw/zinc/03/19/59/815031959.db2.gz WKQFHZGRFRONPT-RYUDHWBXSA-N 0 3 253.390 2.196 20 30 CEEDHN C#CCNCCN(CC)C(=O)CC1(C)CCCCC1 ZINC001268464918 804708456 /nfs/dbraw/zinc/70/84/56/804708456.db2.gz RTZMYVOIZQCFGI-UHFFFAOYSA-N 0 3 264.413 2.418 20 30 CEEDHN C#Cc1ccc(C(=O)N(CC)CCNC/C=C/Cl)cc1 ZINC001268468716 804712212 /nfs/dbraw/zinc/71/22/12/804712212.db2.gz GFZZQMNMJZNTKZ-BJMVGYQFSA-N 0 3 290.794 2.472 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)c2cccc(C)c2)C1 ZINC001028386864 804747487 /nfs/dbraw/zinc/74/74/87/804747487.db2.gz QNLXNOHECZTXPK-HNNXBMFYSA-N 0 3 270.376 2.070 20 30 CEEDHN 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C=C(C)CN1CC2(C1)CCN(C(=O)c1ccccn1)CC2 ZINC001035633871 809794063 /nfs/dbraw/zinc/79/40/63/809794063.db2.gz HUQIKFFDSXPSAO-UHFFFAOYSA-N 0 3 285.391 2.196 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1=COCCC1)CC2 ZINC001035667751 809804132 /nfs/dbraw/zinc/80/41/32/809804132.db2.gz NOGIXXHPJFUCLC-UHFFFAOYSA-N 0 3 290.407 2.181 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccns1)CC2 ZINC001035716799 809806527 /nfs/dbraw/zinc/80/65/27/809806527.db2.gz PDMXXENJLBERTK-UHFFFAOYSA-N 0 3 291.420 2.257 20 30 CEEDHN CC(=O)N1CC[C@@H](NCc2cc(F)ccc2C#N)[C@H](C)C1 ZINC001035864953 809826829 /nfs/dbraw/zinc/82/68/29/809826829.db2.gz LVYCQWKEDAHXFN-BDJLRTHQSA-N 0 3 289.354 2.044 20 30 CEEDHN CCC(=O)N1CC[C@@H](NCc2ccccc2C#N)[C@@H](C)C1 ZINC001035872104 809829070 /nfs/dbraw/zinc/82/90/70/809829070.db2.gz CTQVCZNAAWOSPN-XJKSGUPXSA-N 0 3 285.391 2.295 20 30 CEEDHN C#CC1(O)CCN(CCOc2cccc(Cl)c2)CC1 ZINC000708104642 809921293 /nfs/dbraw/zinc/92/12/93/809921293.db2.gz RPOIJOAOZZWGSV-UHFFFAOYSA-N 0 3 279.767 2.179 20 30 CEEDHN C#CC1(O)CCN(Cc2ccc(SC)cc2)CC1 ZINC000708157660 809922296 /nfs/dbraw/zinc/92/22/96/809922296.db2.gz CUDTYXGSULHSSC-UHFFFAOYSA-N 0 3 261.390 2.369 20 30 CEEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CCN(C2CCC2)C1=O ZINC000708974460 809939253 /nfs/dbraw/zinc/93/92/53/809939253.db2.gz WBGNHQCRBFNMQG-DGCLKSJQSA-N 0 3 263.385 2.058 20 30 CEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1c[nH]cc1C ZINC001273176787 810090666 /nfs/dbraw/zinc/09/06/66/810090666.db2.gz ZSFWKAZEALJNRO-LLVKDONJSA-N 0 3 269.776 2.174 20 30 CEEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1c(C)onc1CC ZINC001273176011 810091038 /nfs/dbraw/zinc/09/10/38/810091038.db2.gz OHAFBMKYUPRPIS-SNVBAGLBSA-N 0 3 299.802 2.396 20 30 CEEDHN CC#CCNC1(CNC(=O)[C@@H](C)C2CCCC2)CCC1 ZINC001273181035 810098023 /nfs/dbraw/zinc/09/80/23/810098023.db2.gz XTMDHJOVSURUQO-AWEZNQCLSA-N 0 3 276.424 2.465 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccncc2C)C1 ZINC001079669986 810228619 /nfs/dbraw/zinc/22/86/19/810228619.db2.gz JBZOHEVPFSQXNE-UKRRQHHQSA-N 0 3 273.380 2.016 20 30 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C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc43)C[C@@H]21 ZINC001085020398 810566992 /nfs/dbraw/zinc/56/69/92/810566992.db2.gz SPFBFJVSXMXKBN-JLSDUUJJSA-N 0 3 296.414 2.435 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCO[C@H](C)C1 ZINC001018109609 810588242 /nfs/dbraw/zinc/58/82/42/810588242.db2.gz GQOLLMLVDVHRDD-QXSJWSMHSA-N 0 3 292.423 2.053 20 30 CEEDHN CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1F ZINC001085110547 810599592 /nfs/dbraw/zinc/59/95/92/810599592.db2.gz YBHNTADRXUUODD-HZPDHXFCSA-N 0 3 289.354 2.234 20 30 CEEDHN C=CCOc1ccccc1C(=O)N1CC[C@H](NCCF)C1 ZINC001019055068 810674599 /nfs/dbraw/zinc/67/45/99/810674599.db2.gz QQBDJAGDMFAQJR-ZDUSSCGKSA-N 0 3 292.354 2.025 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@H](NCc2cncs2)C1 ZINC001019237151 810688432 /nfs/dbraw/zinc/68/84/32/810688432.db2.gz RZYICQPWEXPDEK-NSHDSACASA-N 0 3 279.409 2.046 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC[C@H](NCc3cnccc3C)C2)C1 ZINC001019353421 810703914 /nfs/dbraw/zinc/70/39/14/810703914.db2.gz JQLHXUIGFNSLDE-INIZCTEOSA-N 0 3 299.418 2.437 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC001019640117 810725920 /nfs/dbraw/zinc/72/59/20/810725920.db2.gz AHLRHICXBHJOJH-HNNXBMFYSA-N 0 3 293.370 2.119 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H](C2CCOCC2)C1 ZINC001122251228 815396113 /nfs/dbraw/zinc/39/61/13/815396113.db2.gz ZBAHOWVLNRDXJT-HZPDHXFCSA-N 0 3 294.439 2.335 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC=CCC1 ZINC001085481658 810782495 /nfs/dbraw/zinc/78/24/95/810782495.db2.gz LMIAESSYXVEKEV-LSDHHAIUSA-N 0 3 262.397 2.452 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC001020316051 810789383 /nfs/dbraw/zinc/78/93/83/810789383.db2.gz GLELBPUVIWXHMA-QSLWVIQJSA-N 0 3 282.815 2.412 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccncc2CC)C1 ZINC001020329540 810790714 /nfs/dbraw/zinc/79/07/14/810790714.db2.gz NBPAYWZVKVSVRB-JOCQHMNTSA-N 0 3 293.798 2.247 20 30 CEEDHN CC[C@H](C)OCC[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)N[O-] ZINC001172348392 815398501 /nfs/dbraw/zinc/39/85/01/815398501.db2.gz HYSNRHNTNUKVAT-AVGNSLFASA-N 0 3 274.405 2.090 20 30 CEEDHN CC[C@@H](C)OCC[C@@H](C)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001172349920 815399354 /nfs/dbraw/zinc/39/93/54/815399354.db2.gz NEULXUQOCDUMOU-LOWDOPEQSA-N 0 3 274.405 2.090 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1CC ZINC001085573143 810833895 /nfs/dbraw/zinc/83/38/95/810833895.db2.gz OEQQIOBUSDDBGC-ZDUSSCGKSA-N 0 3 275.396 2.300 20 30 CEEDHN CCCCCCC[C@H](CC)N1CCO[C@@H](C(N)=O)C1 ZINC001172354328 815401289 /nfs/dbraw/zinc/40/12/89/815401289.db2.gz GKANMOLLNPJKSG-UONOGXRCSA-N 0 3 270.417 2.312 20 30 CEEDHN CCCCCCC[C@H](CC)N1CCO[C@H](C(N)=O)C1 ZINC001172354326 815401558 /nfs/dbraw/zinc/40/15/58/815401558.db2.gz GKANMOLLNPJKSG-KBPBESRZSA-N 0 3 270.417 2.312 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001038516013 810853418 /nfs/dbraw/zinc/85/34/18/810853418.db2.gz JSUDYHVVLZGBMF-HNNXBMFYSA-N 0 3 287.407 2.469 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001038516016 810854835 /nfs/dbraw/zinc/85/48/35/810854835.db2.gz JSUDYHVVLZGBMF-OAHLLOKOSA-N 0 3 287.407 2.469 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cccc2n[nH]cc21 ZINC001038576586 810867941 /nfs/dbraw/zinc/86/79/41/810867941.db2.gz PKUFMHKYOUUABD-ZDUSSCGKSA-N 0 3 298.390 2.333 20 30 CEEDHN C=C1CCC(C(=O)NC[C@@H]2CCN2CCC)CC1 ZINC001038667865 810885248 /nfs/dbraw/zinc/88/52/48/810885248.db2.gz QDDBIVRNMBBXCL-AWEZNQCLSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(F)c(OC)c1 ZINC001038728008 810897898 /nfs/dbraw/zinc/89/78/98/810897898.db2.gz ADUDTWYXHOARMO-ZDUSSCGKSA-N 0 3 292.354 2.215 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccn2ccnc12 ZINC001085872893 810950579 /nfs/dbraw/zinc/95/05/79/810950579.db2.gz KDJNYJKNZGJLON-CQSZACIVSA-N 0 3 298.390 2.057 20 30 CEEDHN CC1(C)CN(C(=O)[C@@H](N)CCCCC#N)[C@@H]2CCC[C@@H]21 ZINC001122413872 815410068 /nfs/dbraw/zinc/41/00/68/815410068.db2.gz DHDNGWTZCFYKMF-MELADBBJSA-N 0 3 277.412 2.435 20 30 CEEDHN C=CCN1CC[C@@H]1CN(C)C(=O)c1cccc2[nH]c(C)nc21 ZINC001085911203 810967619 /nfs/dbraw/zinc/96/76/19/810967619.db2.gz XZUFPBZSTUBJDC-CYBMUJFWSA-N 0 3 298.390 2.204 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c[nH]c2ncccc12 ZINC001085979244 810993313 /nfs/dbraw/zinc/99/33/13/810993313.db2.gz NJMOHCUIPXYXGV-CYBMUJFWSA-N 0 3 298.390 2.285 20 30 CEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC=CC2)C1 ZINC001039208198 810999093 /nfs/dbraw/zinc/99/90/93/810999093.db2.gz DMQWXNOKJBHNCT-IAGOWNOFSA-N 0 3 286.419 2.289 20 30 CEEDHN C=CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(F)F ZINC001039318288 811007398 /nfs/dbraw/zinc/00/73/98/811007398.db2.gz BEQOCCUJRAWLPO-NEPJUHHUSA-N 0 3 272.339 2.283 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2occc2C)C1 ZINC001086029134 811010451 /nfs/dbraw/zinc/01/04/51/811010451.db2.gz XLQAKQURCFHGKX-TXEJJXNPSA-N 0 3 282.771 2.439 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C)sn2)C1 ZINC001086072217 811022630 /nfs/dbraw/zinc/02/26/30/811022630.db2.gz MQYKYWRPVZUYKT-PHIMTYICSA-N 0 3 299.827 2.302 20 30 CEEDHN C[C@H](N)c1nc2ccccc2n1-c1nc(Cl)cnc1C#N ZINC001155248649 811025442 /nfs/dbraw/zinc/02/54/42/811025442.db2.gz WTLDCEHJTCLXTO-QMMMGPOBSA-N 0 3 298.737 2.360 20 30 CEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)nc1 ZINC001039470886 811037182 /nfs/dbraw/zinc/03/71/82/811037182.db2.gz XSZBDOXFNOYPLJ-SJORKVTESA-N 0 3 299.418 2.184 20 30 CEEDHN O=C(C#CC1CC1)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039580084 811053799 /nfs/dbraw/zinc/05/37/99/811053799.db2.gz ZVMNSLQCKOHDDA-CALCHBBNSA-N 0 3 286.419 2.265 20 30 CEEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3ccncc3)C2)C1 ZINC001040040008 811078234 /nfs/dbraw/zinc/07/82/34/811078234.db2.gz OQTHERWJKDIGNX-QGZVFWFLSA-N 0 3 285.391 2.196 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cccn2CC)C1 ZINC001086273094 811082844 /nfs/dbraw/zinc/08/28/44/811082844.db2.gz QOBGYFIEIDUKQZ-BETUJISGSA-N 0 3 295.814 2.359 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC001040122873 811090469 /nfs/dbraw/zinc/09/04/69/811090469.db2.gz FLCDOZBZXKSLLJ-KRWDZBQOSA-N 0 3 274.408 2.124 20 30 CEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C3=CCCC3)C2)C1 ZINC001040158984 811092664 /nfs/dbraw/zinc/09/26/64/811092664.db2.gz UKNMBAMFMRTOKR-GOSISDBHSA-N 0 3 286.419 2.435 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](C)C3CCC3)C2)C1 ZINC001040262273 811100846 /nfs/dbraw/zinc/10/08/46/811100846.db2.gz RGWMODLSSAWLKR-MAUKXSAKSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H](F)CC)C2)C1 ZINC001040330673 811101834 /nfs/dbraw/zinc/10/18/34/811101834.db2.gz IDXVOLKNGAGPNN-HOCLYGCPSA-N 0 3 280.387 2.072 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)[C@@H](C)C3CCC3)C2)CC1 ZINC001040739618 811124494 /nfs/dbraw/zinc/12/44/94/811124494.db2.gz BYARJOKRSCNPJW-HNNXBMFYSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)CCC(C)(F)F)CC1 ZINC001273428172 811127661 /nfs/dbraw/zinc/12/76/61/811127661.db2.gz NMKMRPQOVKVSBD-ZDUSSCGKSA-N 0 3 286.366 2.416 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3cc(C)oc3C)C2)C1 ZINC001041057268 811139241 /nfs/dbraw/zinc/13/92/41/811139241.db2.gz NNSSYRBBPWVTDU-KRWDZBQOSA-N 0 3 286.375 2.068 20 30 CEEDHN Cc1cc(CC(=O)C(C#N)C(=O)Nc2cccc(C)c2)no1 ZINC001122541447 815424103 /nfs/dbraw/zinc/42/41/03/815424103.db2.gz SBHKDZNFKURBAV-AWEZNQCLSA-N 0 3 297.314 2.182 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3coc(C)c3)C2)C1 ZINC001041235762 811154259 /nfs/dbraw/zinc/15/42/59/811154259.db2.gz BLLHFGBBVKDUAA-KRWDZBQOSA-N 0 3 286.375 2.149 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C(C)=C3CCC3)C2)C1 ZINC001041272428 811159054 /nfs/dbraw/zinc/15/90/54/811159054.db2.gz HTKHHQCFCCZFQA-GOSISDBHSA-N 0 3 286.419 2.435 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)Cc3ccc(C)cc3)C2)C1 ZINC001041452365 811167104 /nfs/dbraw/zinc/16/71/04/811167104.db2.gz VFFCPUIKCBBENX-IBGZPJMESA-N 0 3 296.414 2.095 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@@H](C)C3CCCC3)C2)C1 ZINC001041782502 811192275 /nfs/dbraw/zinc/19/22/75/811192275.db2.gz ZPNGGEFTZCYNCT-MAUKXSAKSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@H]3CC34CCCC4)C2)C1 ZINC001041772292 811193212 /nfs/dbraw/zinc/19/32/12/811193212.db2.gz ALUJTKQQRYXBCB-NVXWUHKLSA-N 0 3 286.419 2.124 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccsc3)C[C@H]21 ZINC001041915074 811214089 /nfs/dbraw/zinc/21/40/89/811214089.db2.gz GFHNVTLUGWZNBS-GXTWGEPZSA-N 0 3 276.405 2.471 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccoc3C)C[C@H]21 ZINC001041923702 811216169 /nfs/dbraw/zinc/21/61/69/811216169.db2.gz KAGGPOAUECHXHK-UKRRQHHQSA-N 0 3 274.364 2.310 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc[nH]c3C)C[C@@H]21 ZINC001042002284 811229231 /nfs/dbraw/zinc/22/92/31/811229231.db2.gz HYCCXBSJXFKTPP-HIFRSBDPSA-N 0 3 273.380 2.046 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)C3C=CC=CC=C3)C[C@@H]21 ZINC001042075732 811241090 /nfs/dbraw/zinc/24/10/90/811241090.db2.gz FRGGBGLMWJKBIM-WMZOPIPTSA-N 0 3 296.414 2.231 20 30 CEEDHN C#Cc1ccc(C(=O)N2CC[C@H]3CCN(CC=C)[C@H]3C2)cc1 ZINC001042178297 811251831 /nfs/dbraw/zinc/25/18/31/811251831.db2.gz DEMFEVGKJOGPSX-AEFFLSMTSA-N 0 3 294.398 2.390 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3(C(C)C)CC3)C[C@H]21 ZINC001042228822 811259733 /nfs/dbraw/zinc/25/97/33/811259733.db2.gz ZAXQIDCDRZNLKH-HZPDHXFCSA-N 0 3 288.435 2.369 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)C3(CF)CCC3)C[C@@H]21 ZINC001042242212 811261864 /nfs/dbraw/zinc/26/18/64/811261864.db2.gz JRJOLCQAVXCIFS-GJZGRUSLSA-N 0 3 292.398 2.072 20 30 CEEDHN N#CC(C(=O)Cc1cccc2ccccc21)C(=O)NC1CC1 ZINC001122708088 815437986 /nfs/dbraw/zinc/43/79/86/815437986.db2.gz RQCMWVHZOWKLMR-INIZCTEOSA-N 0 3 292.338 2.370 20 30 CEEDHN N#CC(C(=O)CCc1nccs1)c1cccc(F)n1 ZINC001122714954 815438099 /nfs/dbraw/zinc/43/80/99/815438099.db2.gz RVTYGGKEGQEVME-SECBINFHSA-N 0 3 275.308 2.486 20 30 CEEDHN C[C@H](N)c1ccn(-c2cccc3[nH]cc(CC#N)c32)n1 ZINC001169234055 811449603 /nfs/dbraw/zinc/44/96/03/811449603.db2.gz FIORBBLXXSIXCZ-JTQLQIEISA-N 0 3 265.320 2.439 20 30 CEEDHN C[C@@H](CCCC#N)N1CCCc2ccc(CN)nc21 ZINC001172489967 815450829 /nfs/dbraw/zinc/45/08/29/815450829.db2.gz UDABIUWIPXKMGR-LBPRGKRZSA-N 0 3 258.369 2.375 20 30 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CEEDHN CC(C)C1(C(=O)NCCNCc2ccc(C#N)cc2)CC1 ZINC001133556442 813106767 /nfs/dbraw/zinc/10/67/67/813106767.db2.gz AGWTVIIHGQIAKQ-UHFFFAOYSA-N 0 3 285.391 2.200 20 30 CEEDHN C#C[C@](C)(CC)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000384127100 813113996 /nfs/dbraw/zinc/11/39/96/813113996.db2.gz BFPWVDHXQVTUPA-UONOGXRCSA-N 0 3 262.309 2.020 20 30 CEEDHN CC(C)[C@@H](C)C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001134651967 813305932 /nfs/dbraw/zinc/30/59/32/813305932.db2.gz VEGUTAYYBSSTAZ-GFCCVEGCSA-N 0 3 291.370 2.195 20 30 CEEDHN CC(C)[C@H](C)C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001134651968 813306686 /nfs/dbraw/zinc/30/66/86/813306686.db2.gz VEGUTAYYBSSTAZ-LBPRGKRZSA-N 0 3 291.370 2.195 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2cccnc2)CC[C@@H]1C ZINC001071319811 813363252 /nfs/dbraw/zinc/36/32/52/813363252.db2.gz VHWHBIYCGDMTAA-DZGCQCFKSA-N 0 3 273.380 2.240 20 30 CEEDHN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1cnns1 ZINC001135235815 813389130 /nfs/dbraw/zinc/38/91/30/813389130.db2.gz NDEKPKCEEMBEDO-MNOVXSKESA-N 0 3 296.440 2.123 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cc(F)c[nH]2)CC[C@@H]1C ZINC001071693751 813464188 /nfs/dbraw/zinc/46/41/88/813464188.db2.gz WKGMNTALBXRRLO-AAEUAGOBSA-N 0 3 279.359 2.313 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2ncc(C)cc2C)CC[C@@H]1C ZINC001071698502 813466276 /nfs/dbraw/zinc/46/62/76/813466276.db2.gz RGIIUSSECHMEDJ-JKSUJKDBSA-N 0 3 299.418 2.304 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)C2CC2)CC[C@@H]1C ZINC001071756430 813474895 /nfs/dbraw/zinc/47/48/95/813474895.db2.gz HJDRLSPQNCPDBS-ZFWWWQNUSA-N 0 3 276.424 2.415 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2ccn(C)c2C)CC[C@H]1C ZINC001071811966 813487297 /nfs/dbraw/zinc/48/72/97/813487297.db2.gz QWEFYBAEARSUEU-UKRRQHHQSA-N 0 3 289.423 2.492 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)CC2=CCOCC2)CC[C@H]1C ZINC001071806775 813488741 /nfs/dbraw/zinc/48/87/41/813488741.db2.gz IQIKMDQXTJFKMD-GDBMZVCRSA-N 0 3 292.423 2.268 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cscn2)CC[C@@H]1C ZINC001071875553 813503659 /nfs/dbraw/zinc/50/36/59/813503659.db2.gz DEXUZAABZGPSMP-QWHCGFSZSA-N 0 3 293.436 2.231 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cc3c([nH]2)CCC3)CC[C@@H]1C ZINC001071984370 813523729 /nfs/dbraw/zinc/52/37/29/813523729.db2.gz CTXNMZFKKQOTOY-DZGCQCFKSA-N 0 3 299.418 2.109 20 30 CEEDHN C=CCN1C[C@H](NC(=O)c2c[nH]c3cccnc32)CC[C@@H]1C ZINC001071996637 813524920 /nfs/dbraw/zinc/52/49/20/813524920.db2.gz SUWORNIQGPMSAY-QWHCGFSZSA-N 0 3 298.390 2.332 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)c2c[nH]c3cccnc32)CC[C@@H]1C ZINC001071996638 813525947 /nfs/dbraw/zinc/52/59/47/813525947.db2.gz SUWORNIQGPMSAY-STQMWFEESA-N 0 3 298.390 2.332 20 30 CEEDHN C[C@@H](C#N)OCCN1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000396569588 813573961 /nfs/dbraw/zinc/57/39/61/813573961.db2.gz NRYXXGAYXSNDMT-CVEARBPZSA-N 0 3 287.407 2.121 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)c3ccccc3)C2)C1 ZINC001073136130 813729417 /nfs/dbraw/zinc/72/94/17/813729417.db2.gz AUEBBSJOAWKQEY-MRXNPFEDSA-N 0 3 296.414 2.348 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C3CCC=CCC3)C2)C1 ZINC001073439678 813752465 /nfs/dbraw/zinc/75/24/65/813752465.db2.gz DGKNZWICBLVCMR-UHFFFAOYSA-N 0 3 286.419 2.290 20 30 CEEDHN C[C@@H](C#N)C(=O)N1CC[C@H](NCc2ccccc2F)[C@@H]1C ZINC001074568811 813834967 /nfs/dbraw/zinc/83/49/67/813834967.db2.gz YFTMOFMDRKZROE-HUBLWGQQSA-N 0 3 289.354 2.064 20 30 CEEDHN CN(C)C1(C)CN(Cc2c(Cl)cccc2C#N)C1 ZINC001143726180 813867510 /nfs/dbraw/zinc/86/75/10/813867510.db2.gz JHFJUXDHAYTPML-UHFFFAOYSA-N 0 3 263.772 2.348 20 30 CEEDHN O=C(CCS)N1CCN(CC2CCCCC2)CC1 ZINC001143979558 813920652 /nfs/dbraw/zinc/92/06/52/813920652.db2.gz BECMIMOCQCZLFW-UHFFFAOYSA-N 0 3 270.442 2.031 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C)n2)C1 ZINC001098731256 813940955 /nfs/dbraw/zinc/94/09/55/813940955.db2.gz DACJMNPBJZWDRA-YOEHRIQHSA-N 0 3 285.391 2.160 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC2CCC2)C1 ZINC001098772954 813948174 /nfs/dbraw/zinc/94/81/74/813948174.db2.gz NFDWEFDZRZXWLK-RDJZCZTQSA-N 0 3 274.408 2.171 20 30 CEEDHN N#Cc1cncc(CN2CCC3(CC(F)(F)CO3)CC2)c1 ZINC001144074157 813949184 /nfs/dbraw/zinc/94/91/84/813949184.db2.gz FWYNUJUOMULTNL-UHFFFAOYSA-N 0 3 293.317 2.343 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CC(F)(F)C2)C1 ZINC001098783280 813950321 /nfs/dbraw/zinc/95/03/21/813950321.db2.gz VXGSVPCQENKECZ-JSGCOSHPSA-N 0 3 284.350 2.188 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)nc(C)c2)C1 ZINC001098856178 813958861 /nfs/dbraw/zinc/95/88/61/813958861.db2.gz ZROKNJNWTPQPIG-WMZOPIPTSA-N 0 3 299.418 2.469 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)CC)C[C@H]1C(F)(F)F ZINC001099215177 813995704 /nfs/dbraw/zinc/99/57/04/813995704.db2.gz GDRGYLIEYHECBX-GMTAPVOTSA-N 0 3 278.318 2.197 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)C1CC1)C2 ZINC001111472526 814004706 /nfs/dbraw/zinc/00/47/06/814004706.db2.gz UIBNXXPFGGHEPF-MIGQKNRLSA-N 0 3 274.408 2.167 20 30 CEEDHN C=CC1(CC(=O)N[C@H]2CCN(CC)C[C@@H]2O)CCCCC1 ZINC001100035095 814056620 /nfs/dbraw/zinc/05/66/20/814056620.db2.gz XKTOSKWQERULSE-GJZGRUSLSA-N 0 3 294.439 2.084 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)C(CC)(CC)CC)[C@H](O)C1 ZINC001100051703 814058536 /nfs/dbraw/zinc/05/85/36/814058536.db2.gz ZAJIAOOUXZAZKI-HUUCEWRRSA-N 0 3 296.455 2.330 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCCCC)[C@H](O)C1 ZINC001100099621 814061841 /nfs/dbraw/zinc/06/18/41/814061841.db2.gz STGGCUARLWCOBY-HUUCEWRRSA-N 0 3 282.428 2.084 20 30 CEEDHN CCOc1cc(CN[C@@H](C)Cc2cccc(C#N)c2)ncn1 ZINC001171197584 814103509 /nfs/dbraw/zinc/10/35/09/814103509.db2.gz ARXDCWYEYWVRNX-ZDUSSCGKSA-N 0 3 296.374 2.468 20 30 CEEDHN C=C(C)CCC(=O)NCC1CC(NCc2conc2C)C1 ZINC001100371138 814103713 /nfs/dbraw/zinc/10/37/13/814103713.db2.gz ROWDFYSJZWNMOZ-UHFFFAOYSA-N 0 3 291.395 2.324 20 30 CEEDHN C#Cc1ccc(CN2CCC[C@@H](CC(=O)OC)C2)cc1 ZINC001144578760 814114730 /nfs/dbraw/zinc/11/47/30/814114730.db2.gz NKTMISHXUYDSFF-INIZCTEOSA-N 0 3 271.360 2.443 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)Cc2occc2C)C1 ZINC001100661375 814169080 /nfs/dbraw/zinc/16/90/80/814169080.db2.gz QALFASMVEAYVMY-UHFFFAOYSA-N 0 3 296.798 2.367 20 30 CEEDHN N=C(Nc1ccc(OC2CC2)cc1)c1ccc(C(N)=O)cc1 ZINC001171258787 814239247 /nfs/dbraw/zinc/23/92/47/814239247.db2.gz NHHQWOQHPYSGAV-UHFFFAOYSA-N 0 3 295.342 2.364 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](C)CC(F)F)C[C@]2(C)C1 ZINC001101303427 814244761 /nfs/dbraw/zinc/24/47/61/814244761.db2.gz KVLOEQGHWRBXNF-IOASZLSFSA-N 0 3 298.377 2.081 20 30 CEEDHN C=CCN1CC=C(CCNC(=O)C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001161090434 814524924 /nfs/dbraw/zinc/52/49/24/814524924.db2.gz UCHRVBGZYJFHPU-ZBFHGGJFSA-N 0 3 292.423 2.268 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)CCCC(C)C)C2)C1 ZINC001148342226 814553506 /nfs/dbraw/zinc/55/35/06/814553506.db2.gz FUAZCIUIUQMWJJ-UHFFFAOYSA-N 0 3 276.424 2.370 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)CCCc3ccccn3)C2)C1 ZINC001148651352 814594741 /nfs/dbraw/zinc/59/47/41/814594741.db2.gz BKNNNBCSPWEUET-UHFFFAOYSA-N 0 3 299.418 2.125 20 30 CEEDHN C[C@H](C#N)c1cccc(C(=O)N2CC(C)(N(C)C)C2)c1 ZINC001148615044 814596382 /nfs/dbraw/zinc/59/63/82/814596382.db2.gz IHJFUVUHVBJDLU-GFCCVEGCSA-N 0 3 271.364 2.090 20 30 CEEDHN CC#CCNCCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001148751180 814612272 /nfs/dbraw/zinc/61/22/72/814612272.db2.gz BTYIUJOPEIBUEY-UHFFFAOYSA-N 0 3 272.392 2.327 20 30 CEEDHN CC#CCNCCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC001148814292 814616214 /nfs/dbraw/zinc/61/62/14/814616214.db2.gz FIRFUCJJDLAVHK-UHFFFAOYSA-N 0 3 285.174 2.336 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC(C)=C(C)C)C1 ZINC001111838812 814618469 /nfs/dbraw/zinc/61/84/69/814618469.db2.gz ISCBSGVIRWNWEG-RDJZCZTQSA-N 0 3 274.408 2.337 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C(C)C)C1 ZINC001111890136 814627479 /nfs/dbraw/zinc/62/74/79/814627479.db2.gz QCHVUMLPHYGYAX-ZOBUZTSGSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)CC(C)C)C2)CC1 ZINC001086899376 814646172 /nfs/dbraw/zinc/64/61/72/814646172.db2.gz IGLHRWHZNCNTNY-HNNXBMFYSA-N 0 3 276.424 2.369 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CC(F)(F)F ZINC001115079357 814679670 /nfs/dbraw/zinc/67/96/70/814679670.db2.gz XUVGMRKZEIVSLN-URLYPYJESA-N 0 3 290.329 2.197 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CCC)C[C@]2(C)C1 ZINC001091990631 814684279 /nfs/dbraw/zinc/68/42/79/814684279.db2.gz HZCWSNCEDLOUSR-KONPQCLYSA-N 0 3 288.435 2.226 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1ccccc1C ZINC001115318436 814693206 /nfs/dbraw/zinc/69/32/06/814693206.db2.gz SRGTZEVGPUBHJB-DZJNRPSUSA-N 0 3 298.430 2.406 20 30 CEEDHN C#CCN(CCOc1ccccc1[N+](=O)[O-])CC1CC1 ZINC001116369337 814848453 /nfs/dbraw/zinc/84/84/53/814848453.db2.gz KRWADWZQZHEDAH-UHFFFAOYSA-N 0 3 274.320 2.319 20 30 CEEDHN COc1cccc2c1C[C@@H](N1CCC(S)CC1)CO2 ZINC001173162905 815612775 /nfs/dbraw/zinc/61/27/75/815612775.db2.gz AKMFUURZBQXMNC-LLVKDONJSA-N 0 3 279.405 2.393 20 30 CEEDHN C[C@H](C#N)C(=O)NCCNCc1ccccc1C(F)(F)F ZINC001124894723 815634573 /nfs/dbraw/zinc/63/45/73/815634573.db2.gz ATNLPDWMEOQPSK-SNVBAGLBSA-N 0 3 299.296 2.071 20 30 CEEDHN C=CCOCCCC(=O)NCCNCc1cccc(F)c1 ZINC001125248482 815643187 /nfs/dbraw/zinc/64/31/87/815643187.db2.gz YFKMQNWTIWPZSJ-UHFFFAOYSA-N 0 3 294.370 2.014 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccs1)C2 ZINC001095110415 815681247 /nfs/dbraw/zinc/68/12/47/815681247.db2.gz JVSDUOGKKZHQGJ-SNPRPXQTSA-N 0 3 288.416 2.035 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccoc1)C2 ZINC001095174837 815740889 /nfs/dbraw/zinc/74/08/89/815740889.db2.gz WJSCDWUYKFFVHO-RDBSUJKOSA-N 0 3 260.337 2.191 20 30 CEEDHN C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC001095189988 815744612 /nfs/dbraw/zinc/74/46/12/815744612.db2.gz HIPZOWAQJZDMLL-SNPRPXQTSA-N 0 3 286.375 2.303 20 30 CEEDHN C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC001095189988 815744618 /nfs/dbraw/zinc/74/46/18/815744618.db2.gz HIPZOWAQJZDMLL-SNPRPXQTSA-N 0 3 286.375 2.303 20 30 CEEDHN CCOC(=O)C[C@@H]1CC[C@H](NC(=N)c2ccc(F)cn2)C1 ZINC001173622262 815765231 /nfs/dbraw/zinc/76/52/31/815765231.db2.gz ALJNIFDVROWRJY-PWSUYJOCSA-N 0 3 293.342 2.048 20 30 CEEDHN C=CCc1cccc(C[NH+]2CCC(C(=O)NC)CC2)c1[O-] ZINC001138624521 815845357 /nfs/dbraw/zinc/84/53/57/815845357.db2.gz NHLAIQGAJDYLFW-UHFFFAOYSA-N 0 3 288.391 2.079 20 30 CEEDHN C=C(C)COc1ccccc1CN1C[C@H](O)[C@@H](C)C1 ZINC001138661733 815865495 /nfs/dbraw/zinc/86/54/95/815865495.db2.gz FRVBPFWSYGAEDR-ZFWWWQNUSA-N 0 3 261.365 2.454 20 30 CEEDHN N#Cc1ccc(CN2CCC3SC(=O)C=C3C2)cc1F ZINC001139528642 816039676 /nfs/dbraw/zinc/03/96/76/816039676.db2.gz WPVXZGNVKYREFM-AWEZNQCLSA-N 0 3 288.347 2.471 20 30 CEEDHN O=C1C=C2CN(Cc3cnc4cccnc4c3)CCC2S1 ZINC001139737934 816100493 /nfs/dbraw/zinc/10/04/93/816100493.db2.gz CZNHIMDGBSCELC-HNNXBMFYSA-N 0 3 297.383 2.404 20 30 CEEDHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cc[nH]c1)C2 ZINC001140705886 816327723 /nfs/dbraw/zinc/32/77/23/816327723.db2.gz CBTVQTRQQXDDIH-HZPDHXFCSA-N 0 3 276.380 2.341 20 30 CEEDHN C=CCN1C(=O)CCC12CCN(Cc1cc[nH]c1)CC2 ZINC001140706919 816329766 /nfs/dbraw/zinc/32/97/66/816329766.db2.gz PSJYOLXISCIROH-UHFFFAOYSA-N 0 3 273.380 2.158 20 30 CEEDHN Cc1ccncc1CN1CCC2SC(=O)C=C2C1 ZINC001141033294 816453155 /nfs/dbraw/zinc/45/31/55/816453155.db2.gz IVWTTXKQKKGJET-CYBMUJFWSA-N 0 3 260.362 2.164 20 30 CEEDHN Cc1cnc(C)c(NC(=O)C(C#N)Cc2cccs2)n1 ZINC001177904723 816641230 /nfs/dbraw/zinc/64/12/30/816641230.db2.gz OVEUGHUSBHQXKQ-NSHDSACASA-N 0 3 286.360 2.476 20 30 CEEDHN CC(=O)N1CC[C@H](NCC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC001178012173 816658168 /nfs/dbraw/zinc/65/81/68/816658168.db2.gz DWZDHLSKULVWMK-LRDDRELGSA-N 0 3 290.794 2.290 20 30 CEEDHN CCC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001177973348 816659067 /nfs/dbraw/zinc/65/90/67/816659067.db2.gz RNXNPUITGRTWHS-HOCLYGCPSA-N 0 3 270.376 2.027 20 30 CEEDHN N#CC[C@@H]1CCCN(Cc2cccc3nonc32)C1 ZINC001203137929 816833322 /nfs/dbraw/zinc/83/33/22/816833322.db2.gz PUBHQXVPEKZJDF-NSHDSACASA-N 0 3 256.309 2.348 20 30 CEEDHN C[C@H]1C[C@@H]1C(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001179322325 816854037 /nfs/dbraw/zinc/85/40/37/816854037.db2.gz FMUDHKMLBUUAFP-LAQRGFTBSA-N 0 3 296.414 2.273 20 30 CEEDHN N#CCCN1CCN(C2CCC(F)(F)CC2)CC1 ZINC000601316139 346817942 /nfs/dbraw/zinc/81/79/42/346817942.db2.gz HJNDEGCNRYHPTF-UHFFFAOYSA-N 0 3 257.328 2.096 20 30 CEEDHN COCCOC[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000121565392 365585155 /nfs/dbraw/zinc/58/51/55/365585155.db2.gz XNRCMNOWEMOJJS-CQSZACIVSA-N 0 3 292.354 2.182 20 30 CEEDHN CN1CCC[C@H](CNc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000124775612 187153491 /nfs/dbraw/zinc/15/34/91/187153491.db2.gz DYSGQSRCPGVASE-GFCCVEGCSA-N 0 3 274.324 2.220 20 30 CEEDHN CCN(CCC#N)C(=O)CN(C)C1CCC(C)CC1 ZINC000079871707 343992926 /nfs/dbraw/zinc/99/29/26/343992926.db2.gz JDYPIYZMACIIHW-UHFFFAOYSA-N 0 3 265.401 2.259 20 30 CEEDHN CN(C)[C@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000125766144 365685699 /nfs/dbraw/zinc/68/56/99/365685699.db2.gz RTBNEWWEZFJXAP-ZDUSSCGKSA-N 0 3 291.782 2.378 20 30 CEEDHN CC(C)N1CCC[C@@H](NC(=O)c2ccccc2CC#N)C1 ZINC000601454333 346839782 /nfs/dbraw/zinc/83/97/82/346839782.db2.gz ZKSPTHYRVCGEIX-OAHLLOKOSA-N 0 3 285.391 2.355 20 30 CEEDHN C[C@H](Cn1cccn1)N[C@H](C)c1ccc(C#N)cc1 ZINC000037155384 361900993 /nfs/dbraw/zinc/90/09/93/361900993.db2.gz RXXBZHYXHWDKTP-CHWSQXEVSA-N 0 3 254.337 2.494 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)C1(C#N)CC2(CC2)C1 ZINC000601671172 346874770 /nfs/dbraw/zinc/87/47/70/346874770.db2.gz IVAKEDSRDZIDSV-AWEZNQCLSA-N 0 3 289.423 2.307 20 30 CEEDHN CCN(Cc1cnc2ccc(C#N)cn12)CC1CC1 ZINC000125641932 187194391 /nfs/dbraw/zinc/19/43/91/187194391.db2.gz FIFFHWPQSYILMI-UHFFFAOYSA-N 0 3 254.337 2.438 20 30 CEEDHN C[C@H]1C[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])CCN1C ZINC000125954028 187207218 /nfs/dbraw/zinc/20/72/18/187207218.db2.gz SFSMRMYSMFJUAG-CMPLNLGQSA-N 0 3 274.324 2.361 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000601811657 346905533 /nfs/dbraw/zinc/90/55/33/346905533.db2.gz WLMZXNPXHMEXPA-RFQIPJPRSA-N 0 3 263.385 2.010 20 30 CEEDHN C=CCCCN(C)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000127205410 365736316 /nfs/dbraw/zinc/73/63/16/365736316.db2.gz AEMGQUIEWYKCKR-CHWSQXEVSA-N 0 3 265.401 2.219 20 30 CEEDHN N#Cc1ccc([C@@H](N[C@@H]2CCCC23CC3)C(N)=O)cc1 ZINC000601933869 346930854 /nfs/dbraw/zinc/93/08/54/346930854.db2.gz KGHINNNMJBLWIO-ZIAGYGMSSA-N 0 3 269.348 2.007 20 30 CEEDHN CC(C#N)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000044810466 362154620 /nfs/dbraw/zinc/15/46/20/362154620.db2.gz FZYGSBYNXDCKBZ-NSHDSACASA-N 0 3 277.755 2.148 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)CSC)C(C)C ZINC000046049438 362174770 /nfs/dbraw/zinc/17/47/70/362174770.db2.gz JKJYFVBDWVHYSK-CYBMUJFWSA-N 0 3 270.442 2.164 20 30 CEEDHN CCn1ccnc1CNCCc1cccc(C#N)c1 ZINC000567810571 299093713 /nfs/dbraw/zinc/09/37/13/299093713.db2.gz IMUIEKHRRBOWCU-UHFFFAOYSA-N 0 3 254.337 2.107 20 30 CEEDHN CC#CCN(C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000080967821 344030982 /nfs/dbraw/zinc/03/09/82/344030982.db2.gz ACLDNGZIXDMKOR-UHFFFAOYSA-N 0 3 272.396 2.017 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)C[C@H]1CCCO1)C(C)C ZINC000046745033 362186439 /nfs/dbraw/zinc/18/64/39/362186439.db2.gz YCPUZNNNBAQCFL-CVEARBPZSA-N 0 3 294.439 2.370 20 30 CEEDHN CNC(=O)[C@H](CC(C)C)N[C@H](C)c1ccc(C#N)cc1 ZINC000037161683 343425685 /nfs/dbraw/zinc/42/56/85/343425685.db2.gz QDBVRPZPPPXGBT-DOMZBBRYSA-N 0 3 273.380 2.370 20 30 CEEDHN CC[C@H](NCc1cccc(C#N)c1)[C@H](O)C(F)F ZINC000295025675 199306507 /nfs/dbraw/zinc/30/65/07/199306507.db2.gz LBSHCPFSUPYDQX-RYUDHWBXSA-N 0 3 254.280 2.052 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)n[nH]1)C(C)C ZINC000128068717 365774388 /nfs/dbraw/zinc/77/43/88/365774388.db2.gz PTKUXECBPKLNLR-OAHLLOKOSA-N 0 3 290.411 2.147 20 30 CEEDHN C=CCOc1ccccc1CN1CCO[C@@H](CN(C)C)C1 ZINC000128163401 365777536 /nfs/dbraw/zinc/77/75/36/365777536.db2.gz KUISTWFNPSQEOP-INIZCTEOSA-N 0 3 290.407 2.014 20 30 CEEDHN C=CCC[C@@H](O)CN(C)CCN(C)c1ccccc1 ZINC000128380986 365786355 /nfs/dbraw/zinc/78/63/55/365786355.db2.gz PUVYWHDQYYVUGW-MRXNPFEDSA-N 0 3 262.397 2.382 20 30 CEEDHN CCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C(C)C ZINC000065298490 343697315 /nfs/dbraw/zinc/69/73/15/343697315.db2.gz OKNPHIZTLWBXGS-HIFRSBDPSA-N 0 3 267.417 2.407 20 30 CEEDHN CN(CC(=O)N(C)Cc1cccc(C#N)c1)CC(C)(C)C ZINC000602055329 346967263 /nfs/dbraw/zinc/96/72/63/346967263.db2.gz YIKCSDABFODPSG-UHFFFAOYSA-N 0 3 287.407 2.495 20 30 CEEDHN CC(C)(CNC(=O)C1(C#N)CCCC1)N1CCCCC1 ZINC000069179372 343782818 /nfs/dbraw/zinc/78/28/18/343782818.db2.gz GQIAWEOICYUJOT-UHFFFAOYSA-N 0 3 277.412 2.451 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1C[C@H](C)C[C@H](C)C1 ZINC000069875497 343791795 /nfs/dbraw/zinc/79/17/95/343791795.db2.gz MCKGKIXMOMTALC-FQLMCAECSA-N 0 3 279.428 2.407 20 30 CEEDHN CN(CC(=O)NCC(C)(C)CC#N)CC(C)(C)C ZINC000602158561 346984914 /nfs/dbraw/zinc/98/49/14/346984914.db2.gz MLSQPAYLAGNBRR-UHFFFAOYSA-N 0 3 253.390 2.020 20 30 CEEDHN Cc1n[nH]cc1CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000602174941 346988415 /nfs/dbraw/zinc/98/84/15/346988415.db2.gz YEFJNWUTVWDHPN-OAHLLOKOSA-N 0 3 296.374 2.449 20 30 CEEDHN N#Cc1ccccc1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000076199775 343885083 /nfs/dbraw/zinc/88/50/83/343885083.db2.gz NKQQGTIJQQMZSD-INIZCTEOSA-N 0 3 285.391 2.249 20 30 CEEDHN C=CCCCN(C)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000076737482 343896421 /nfs/dbraw/zinc/89/64/21/343896421.db2.gz FPFVSDZUHMHXJH-UHFFFAOYSA-N 0 3 271.364 2.401 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(CC)(CO)CC1 ZINC000128246497 187358808 /nfs/dbraw/zinc/35/88/08/187358808.db2.gz IYQNWMNHSBLBDU-OAHLLOKOSA-N 0 3 294.439 2.060 20 30 CEEDHN N#Cc1ccc(CN(CCO)CCc2ccccc2)o1 ZINC000093389636 344222666 /nfs/dbraw/zinc/22/26/66/344222666.db2.gz KOMIPZWNINXTFX-UHFFFAOYSA-N 0 3 270.332 2.188 20 30 CEEDHN C[C@@H](O)C[C@@H]1CCCN1Cc1cc(C#N)cs1 ZINC000093483202 344225521 /nfs/dbraw/zinc/22/55/21/344225521.db2.gz WQGHXENUGWUFLF-PWSUYJOCSA-N 0 3 250.367 2.355 20 30 CEEDHN CC(C)(C)CN(CCCO)Cc1cccc(C#N)n1 ZINC000602460479 347042176 /nfs/dbraw/zinc/04/21/76/347042176.db2.gz GICICWMRCVDAJE-UHFFFAOYSA-N 0 3 261.369 2.184 20 30 CEEDHN C[C@@H](CCC#N)CN(C)CC(=O)NCc1cccs1 ZINC000602467694 347044792 /nfs/dbraw/zinc/04/47/92/347044792.db2.gz HYTCJGQSTBTKBE-LBPRGKRZSA-N 0 3 279.409 2.236 20 30 CEEDHN CN(CCN1CCCC1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000126289744 344323271 /nfs/dbraw/zinc/32/32/71/344323271.db2.gz CDTOFTSZHIILCS-UHFFFAOYSA-N 0 3 291.782 2.379 20 30 CEEDHN C=CCCOCC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000138279477 344389530 /nfs/dbraw/zinc/38/95/30/344389530.db2.gz NUGCLKMYUDOWMY-UHFFFAOYSA-N 0 3 290.407 2.170 20 30 CEEDHN CC(C)C[C@@H](C)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000163066553 344469219 /nfs/dbraw/zinc/46/92/19/344469219.db2.gz AUGITXPEPNINJM-CYBMUJFWSA-N 0 3 294.420 2.356 20 30 CEEDHN N#Cc1ccc(CNC2(CO)CCCCC2)s1 ZINC000164839057 344473335 /nfs/dbraw/zinc/47/33/35/344473335.db2.gz DENDPHABEOZQRA-UHFFFAOYSA-N 0 3 250.367 2.405 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC[C@H](CCO)C1 ZINC000221984683 344540159 /nfs/dbraw/zinc/54/01/59/344540159.db2.gz RANYQOHOASWLSL-CQSZACIVSA-N 0 3 274.364 2.031 20 30 CEEDHN CCN1CCN(Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000223568255 344542808 /nfs/dbraw/zinc/54/28/08/344542808.db2.gz UTNPJZHJLPLBHB-LBPRGKRZSA-N 0 3 261.344 2.223 20 30 CEEDHN Cc1nsc(N[C@@H]2CCN(C)[C@@H](C)C2)c1C#N ZINC000226897344 344551436 /nfs/dbraw/zinc/55/14/36/344551436.db2.gz IPLWSUHHRLYVOU-WCBMZHEXSA-N 0 3 250.371 2.218 20 30 CEEDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1cccc(C#N)n1 ZINC000602507470 347061090 /nfs/dbraw/zinc/06/10/90/347061090.db2.gz JRSTZZLGEMUXKI-HOCLYGCPSA-N 0 3 287.363 2.165 20 30 CEEDHN CN1CCC(C(=O)Nc2cc(C#N)ccc2NC2CC2)CC1 ZINC000355641168 530048169 /nfs/dbraw/zinc/04/81/69/530048169.db2.gz GIXGOPQOUINRSX-UHFFFAOYSA-N 0 3 298.390 2.413 20 30 CEEDHN CCn1cc(CN[C@H](C)CC2(C#N)CCOCC2)cn1 ZINC000602558224 347076193 /nfs/dbraw/zinc/07/61/93/347076193.db2.gz UAHAMNGWCSGQDC-CYBMUJFWSA-N 0 3 276.384 2.092 20 30 CEEDHN CC(C)COC[C@H](NC(=O)C(C)C#N)c1ccco1 ZINC000357824803 344807117 /nfs/dbraw/zinc/80/71/17/344807117.db2.gz KMBSIQKQHHLUAW-NEPJUHHUSA-N 0 3 264.325 2.269 20 30 CEEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccn(C)c1 ZINC000602574119 347084237 /nfs/dbraw/zinc/08/42/37/347084237.db2.gz XENGYQRCWBPFQG-CYBMUJFWSA-N 0 3 261.369 2.214 20 30 CEEDHN CCC[C@](C)(N)C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602578132 347085868 /nfs/dbraw/zinc/08/58/68/347085868.db2.gz VHOMBVSGLVHOBX-KRWDZBQOSA-N 0 3 285.391 2.155 20 30 CEEDHN C=CCn1cc(CN[C@@H]2CCCC[C@H]2[C@H]2CCOC2)nn1 ZINC000584833427 344991192 /nfs/dbraw/zinc/99/11/92/344991192.db2.gz QVWIDVCHIZVNJL-CWRNSKLLSA-N 0 3 290.411 2.149 20 30 CEEDHN CC[C@H](Cn1cncn1)N[C@H](C)c1cccc(C#N)c1 ZINC000585725922 345012409 /nfs/dbraw/zinc/01/24/09/345012409.db2.gz FLHMNTWTMBLWMW-IUODEOHRSA-N 0 3 269.352 2.279 20 30 CEEDHN COCCCN1CCC(NC(=O)CCCCCC#N)CC1 ZINC000588340999 345046569 /nfs/dbraw/zinc/04/65/69/345046569.db2.gz HATWDWWAIHEDPU-UHFFFAOYSA-N 0 3 295.427 2.078 20 30 CEEDHN CN(CC(=O)NCC#Cc1ccccc1)CC(C)(C)C ZINC000588901516 345059484 /nfs/dbraw/zinc/05/94/84/345059484.db2.gz ISPZZCVQDUYPHQ-UHFFFAOYSA-N 0 3 272.392 2.132 20 30 CEEDHN N#C[C@H]1CC[C@H](N2CCC(c3nnc4n3CCC4)CC2)C1 ZINC000590157744 345118440 /nfs/dbraw/zinc/11/84/40/345118440.db2.gz HOIWKORUXBKSTH-JSGCOSHPSA-N 0 3 285.395 2.096 20 30 CEEDHN N#CCCN1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000589742374 345097202 /nfs/dbraw/zinc/09/72/02/345097202.db2.gz PFEYAHIOACUTBB-IRXDYDNUSA-N 0 3 269.392 2.321 20 30 CEEDHN CCO[C@H]1C[C@H](NCc2ccnc(C#N)c2)C12CCC2 ZINC000590756280 345175108 /nfs/dbraw/zinc/17/51/08/345175108.db2.gz DXRRCOUTMSAQQW-GJZGRUSLSA-N 0 3 271.364 2.391 20 30 CEEDHN COc1cc(C)ccc1CNC1CCN(CC#N)CC1 ZINC000590645809 345154565 /nfs/dbraw/zinc/15/45/65/345154565.db2.gz RRDSCJFVZRSGLX-UHFFFAOYSA-N 0 3 273.380 2.081 20 30 CEEDHN N#CCCN1CCN(CC2CCC(F)(F)CC2)CC1 ZINC000590954618 345203883 /nfs/dbraw/zinc/20/38/83/345203883.db2.gz ZQBKKZGQFPANEI-UHFFFAOYSA-N 0 3 271.355 2.343 20 30 CEEDHN CO[C@@H]1C[C@@H](NCc2ccnc(C#N)c2)C12CCC2 ZINC000590971472 345207807 /nfs/dbraw/zinc/20/78/07/345207807.db2.gz ZOUAENKFWUMLMX-ZIAGYGMSSA-N 0 3 257.337 2.000 20 30 CEEDHN Cc1cc(CN2CCC[C@@H]3COC[C@@H]32)ccc1C#N ZINC000590972142 345209005 /nfs/dbraw/zinc/20/90/05/345209005.db2.gz KBUQTEJODZEKPH-CVEARBPZSA-N 0 3 256.349 2.478 20 30 CEEDHN N#CC1(CCN2CC[C@H](n3cncn3)C2)CCCCC1 ZINC000591030157 345213681 /nfs/dbraw/zinc/21/36/81/345213681.db2.gz QJZHYHXBSUDSDR-AWEZNQCLSA-N 0 3 273.384 2.389 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)C1(C#N)CCCCC1 ZINC000063124726 282392609 /nfs/dbraw/zinc/39/26/09/282392609.db2.gz JPJYDMWNPWPEIV-UHFFFAOYSA-N 0 3 277.412 2.261 20 30 CEEDHN CN1C[C@@H]2CCCN(C(=O)Nc3ccc(CC#N)cc3)[C@@H]2C1 ZINC000591860702 345288948 /nfs/dbraw/zinc/28/89/48/345288948.db2.gz MEKGPOVDHRAMMU-GOEBONIOSA-N 0 3 298.390 2.311 20 30 CEEDHN CCC1(NCc2cnc3c(C#N)cnn3c2)CCC1 ZINC000592503906 345362115 /nfs/dbraw/zinc/36/21/15/345362115.db2.gz JVHAEVLNKNRWOD-UHFFFAOYSA-N 0 3 255.325 2.023 20 30 CEEDHN C[C@H]1CC[C@H](N(C)Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592513972 345363095 /nfs/dbraw/zinc/36/30/95/345363095.db2.gz MSKLGXIKGAYWJT-FZMZJTMJSA-N 0 3 269.352 2.221 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NC1(c2ccccc2F)CCC1 ZINC000592567779 345369748 /nfs/dbraw/zinc/36/97/48/345369748.db2.gz YNRDIXVTEQIDME-AWEZNQCLSA-N 0 3 289.354 2.342 20 30 CEEDHN COc1ccc(CN2CCC([C@@H](C)CO)CC2)cc1C#N ZINC000593082720 345434989 /nfs/dbraw/zinc/43/49/89/345434989.db2.gz JYZFEKWJYRMZAN-ZDUSSCGKSA-N 0 3 288.391 2.407 20 30 CEEDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(CC#N)cc1 ZINC000592824452 345400407 /nfs/dbraw/zinc/40/04/07/345400407.db2.gz LECIICUIALWCBN-KBPBESRZSA-N 0 3 285.391 2.242 20 30 CEEDHN C=CCN1CCC(NC(=O)CC2(CSC)CC2)CC1 ZINC000593453547 345489736 /nfs/dbraw/zinc/48/97/36/345489736.db2.gz XSOMVMUKKIZHTE-UHFFFAOYSA-N 0 3 282.453 2.286 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C ZINC000593469844 345492892 /nfs/dbraw/zinc/49/28/92/345492892.db2.gz HLMVDNZCJMPLFU-RYUDHWBXSA-N 0 3 268.357 2.019 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C ZINC000593469843 345493223 /nfs/dbraw/zinc/49/32/23/345493223.db2.gz HLMVDNZCJMPLFU-NEPJUHHUSA-N 0 3 268.357 2.019 20 30 CEEDHN CC1(O)CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000127433007 187305614 /nfs/dbraw/zinc/30/56/14/187305614.db2.gz QAIPBEAEMDWOKA-UHFFFAOYSA-N 0 3 274.364 2.174 20 30 CEEDHN COc1cc(CN(C)CCN2CCCCC2)ccc1C#N ZINC000593703637 345524794 /nfs/dbraw/zinc/52/47/94/345524794.db2.gz WHUHWSLWEJXTQH-UHFFFAOYSA-N 0 3 287.407 2.485 20 30 CEEDHN C[C@H](NCC[C@@]1(O)CCCOC1)c1ccc(C#N)cc1F ZINC000593720990 345527007 /nfs/dbraw/zinc/52/70/07/345527007.db2.gz OMACLSGKGBHKBO-LRDDRELGSA-N 0 3 292.354 2.280 20 30 CEEDHN CC[C@@H](C(=O)NCC1(C#N)CCCC1)N(CC)CC ZINC000593780268 345537079 /nfs/dbraw/zinc/53/70/79/345537079.db2.gz YPTGGONTHIJNMX-ZDUSSCGKSA-N 0 3 265.401 2.307 20 30 CEEDHN CC[C@H](C)N[C@@H](CNC(=O)[C@H](C#N)CC)c1ccco1 ZINC000593897554 345550051 /nfs/dbraw/zinc/55/00/51/345550051.db2.gz QNAWGXLAQXMTJP-AVGNSLFASA-N 0 3 277.368 2.375 20 30 CEEDHN N#CCCOCCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594034989 345569964 /nfs/dbraw/zinc/56/99/64/345569964.db2.gz HZBONMVNOCBSLC-UHFFFAOYSA-N 0 3 269.348 2.457 20 30 CEEDHN C[C@@H](CO)C1CCN(Cc2cc(C#N)cs2)CC1 ZINC000593676340 345519523 /nfs/dbraw/zinc/51/95/23/345519523.db2.gz FDPDUBRUTDPPPI-NSHDSACASA-N 0 3 264.394 2.460 20 30 CEEDHN N#CC1(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCCC1 ZINC000594197220 345596759 /nfs/dbraw/zinc/59/67/59/345596759.db2.gz BCNRSXACBLRWHT-KGLIPLIRSA-N 0 3 275.396 2.203 20 30 CEEDHN CC(C)(CC#N)CNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594256800 345605862 /nfs/dbraw/zinc/60/58/62/345605862.db2.gz WLTXNYGMAGWVNA-KGLIPLIRSA-N 0 3 292.427 2.242 20 30 CEEDHN C[C@H]1CN(CCCCNC(=O)CCCCC#N)C[C@H](C)O1 ZINC000594317191 345612014 /nfs/dbraw/zinc/61/20/14/345612014.db2.gz YOOLWIVXXIBWQM-GJZGRUSLSA-N 0 3 295.427 2.076 20 30 CEEDHN CN(Cc1ccccc1)C(=O)[C@@H](N)CCCCC#N ZINC000594424636 345625923 /nfs/dbraw/zinc/62/59/23/345625923.db2.gz HJGGFPXXBBGEIG-AWEZNQCLSA-N 0 3 259.353 2.056 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000594426967 345626276 /nfs/dbraw/zinc/62/62/76/345626276.db2.gz UABWEIMDYPSPJH-HZPDHXFCSA-N 0 3 285.391 2.071 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000594429066 345627945 /nfs/dbraw/zinc/62/79/45/345627945.db2.gz QGVBMJTZAJUKSB-ZDUSSCGKSA-N 0 3 293.317 2.265 20 30 CEEDHN CCCN(C[C@H]1CCCCO1)C(=O)[C@@H](N)CCCCC#N ZINC000594432805 345628226 /nfs/dbraw/zinc/62/82/26/345628226.db2.gz BYRQHBQIZBPORG-CABCVRRESA-N 0 3 295.427 2.205 20 30 CEEDHN COc1cc(CNC(=O)[C@H](N)CCCCC#N)ccc1C ZINC000594430648 345628304 /nfs/dbraw/zinc/62/83/04/345628304.db2.gz AJZZYAJKKDSPDP-CQSZACIVSA-N 0 3 289.379 2.031 20 30 CEEDHN CN(C(=O)[C@@H](N)CCCCC#N)c1ccc(F)c(F)c1 ZINC000594431633 345628693 /nfs/dbraw/zinc/62/86/93/345628693.db2.gz PERMZJCIIGLPJN-ZDUSSCGKSA-N 0 3 281.306 2.339 20 30 CEEDHN CC(C)C[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594433512 345629319 /nfs/dbraw/zinc/62/93/19/345629319.db2.gz FZKSERNPGZRELI-UONOGXRCSA-N 0 3 265.401 2.292 20 30 CEEDHN COCCC1(CNC(=O)[C@H](N)CCCCC#N)CCCC1 ZINC000594432940 345629415 /nfs/dbraw/zinc/62/94/15/345629415.db2.gz HKXJOOKPLUWHRZ-CQSZACIVSA-N 0 3 295.427 2.111 20 30 CEEDHN C[C@H](c1cccnc1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594435091 345629579 /nfs/dbraw/zinc/62/95/79/345629579.db2.gz AFMBPERIDRBATE-OCCSQVGLSA-N 0 3 274.368 2.012 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC[C@H]1CCc2ccccc21 ZINC000594434694 345629873 /nfs/dbraw/zinc/62/98/73/345629873.db2.gz RLPZONYKVOENEP-ZBFHGGJFSA-N 0 3 285.391 2.244 20 30 CEEDHN C[C@@H]1CCC[C@@H](NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594438319 345630309 /nfs/dbraw/zinc/63/03/09/345630309.db2.gz SUDCFXAQWSHBCD-MGPQQGTHSA-N 0 3 265.401 2.483 20 30 CEEDHN C[C@@H]1CC[C@H](C)N(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594447017 345632723 /nfs/dbraw/zinc/63/27/23/345632723.db2.gz RRWATMPTIOSJOK-FRRDWIJNSA-N 0 3 251.374 2.045 20 30 CEEDHN COc1ccc(CNC(=O)[C@H](N)CCCCC#N)c(C)c1 ZINC000594444428 345632880 /nfs/dbraw/zinc/63/28/80/345632880.db2.gz LXGJMOVFHKDCAS-OAHLLOKOSA-N 0 3 289.379 2.031 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC2(CC2(F)F)CC1 ZINC000594452210 345634998 /nfs/dbraw/zinc/63/49/98/345634998.db2.gz FECPLFSTDBUYGK-LLVKDONJSA-N 0 3 285.338 2.045 20 30 CEEDHN COCC[C@@H]1CCCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594457324 345635768 /nfs/dbraw/zinc/63/57/68/345635768.db2.gz YFEKBAYHGDNSOB-LSDHHAIUSA-N 0 3 295.427 2.063 20 30 CEEDHN N#CCc1cccc(NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000594609149 345660687 /nfs/dbraw/zinc/66/06/87/345660687.db2.gz GVZVXDJYRXNPGW-KRWDZBQOSA-N 0 3 285.391 2.418 20 30 CEEDHN N#CC1CCN(CCC(=O)N2CCc3ccccc32)CC1 ZINC000057878832 362599188 /nfs/dbraw/zinc/59/91/88/362599188.db2.gz GOIHSOGZBJADJR-UHFFFAOYSA-N 0 3 283.375 2.201 20 30 CEEDHN N#Cc1nc(N[C@@H]2CCCN3CCCC[C@H]23)ccc1Cl ZINC000594596656 345655783 /nfs/dbraw/zinc/65/57/83/345655783.db2.gz AXEJTRIOPMERMK-TZMCWYRMSA-N 0 3 290.798 2.457 20 30 CEEDHN N#Cc1ccc(CCn2cc3c(n2)[C@H](N)CCC3)cc1 ZINC000594691715 345672437 /nfs/dbraw/zinc/67/24/37/345672437.db2.gz YVOTXOJILUATEA-OAHLLOKOSA-N 0 3 266.348 2.334 20 30 CEEDHN CO[C@H](CN[C@@H](C)c1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000594711095 345676374 /nfs/dbraw/zinc/67/63/74/345676374.db2.gz NFOACHOOZZPDSQ-APHBMKBZSA-N 0 3 274.364 2.260 20 30 CEEDHN C=CCCSCCNC[C@@](C)(O)C(F)(F)F ZINC000594718973 345678667 /nfs/dbraw/zinc/67/86/67/345678667.db2.gz XVZKUPONPIVJNQ-SECBINFHSA-N 0 3 257.321 2.199 20 30 CEEDHN CS(=O)(=O)C1(CN[C@H]2CCC[C@@H](C#N)C2)CCCCC1 ZINC000595077040 345740070 /nfs/dbraw/zinc/74/00/70/345740070.db2.gz KZCHZFRXOUCUJH-KGLIPLIRSA-N 0 3 298.452 2.406 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@@H](C2CCCCC2)C1 ZINC000595255920 345749423 /nfs/dbraw/zinc/74/94/23/345749423.db2.gz FTPGZIBAJPJOIC-HUUCEWRRSA-N 0 3 277.412 2.436 20 30 CEEDHN Cc1ccc(CCNC(=O)[C@@H](N)CCCCC#N)cc1C ZINC000595267544 345751775 /nfs/dbraw/zinc/75/17/75/345751775.db2.gz DPOOSHFNNCKJMX-INIZCTEOSA-N 0 3 287.407 2.373 20 30 CEEDHN CCCNC(=O)CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594927772 345705162 /nfs/dbraw/zinc/70/51/62/345705162.db2.gz QSJLUKRGABKFKR-UHFFFAOYSA-N 0 3 285.391 2.248 20 30 CEEDHN C[C@]1(CNCc2ccc(C3(C#N)CC3)cc2)CCC(=O)N1 ZINC000594943576 345712276 /nfs/dbraw/zinc/71/22/76/345712276.db2.gz DERHECTUUVNGPO-MRXNPFEDSA-N 0 3 283.375 2.000 20 30 CEEDHN Cc1nc(CNCCc2ccc(C#N)cc2)[nH]c1C ZINC000594954445 345715019 /nfs/dbraw/zinc/71/50/19/345715019.db2.gz GIQUOOHOOZXONP-UHFFFAOYSA-N 0 3 254.337 2.231 20 30 CEEDHN COC[C@@H](NCc1cc(C#N)cs1)C1CCOCC1 ZINC000594956638 345715673 /nfs/dbraw/zinc/71/56/73/345715673.db2.gz KJHFNRONVSEHLO-CQSZACIVSA-N 0 3 280.393 2.151 20 30 CEEDHN N#C[C@@H](c1ccccc1)N1CCC(CN2CCOCC2)CC1 ZINC000595298215 345757659 /nfs/dbraw/zinc/75/76/59/345757659.db2.gz QGAVWUBMEBVMJB-SFHVURJKSA-N 0 3 299.418 2.295 20 30 CEEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1ccncn1 ZINC000595056016 345736160 /nfs/dbraw/zinc/73/61/60/345736160.db2.gz ORAHHVXEXNTPLA-GFCCVEGCSA-N 0 3 252.321 2.242 20 30 CEEDHN C=CCCSCCNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000595583177 345818929 /nfs/dbraw/zinc/81/89/29/345818929.db2.gz XXCHLDGULDMOHK-CYBMUJFWSA-N 0 3 297.468 2.245 20 30 CEEDHN CC[C@H](C)N(CC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000595593364 345820565 /nfs/dbraw/zinc/82/05/65/345820565.db2.gz OSDWNJCWFDFJQQ-STQMWFEESA-N 0 3 253.390 2.115 20 30 CEEDHN C[C@@H](CNC(=O)N1CC[C@](C)(C#N)C1)N1CCCC[C@H]1C ZINC000595450016 345785356 /nfs/dbraw/zinc/78/53/56/345785356.db2.gz SREJDDPRFAJYJX-IJEWVQPXSA-N 0 3 292.427 2.194 20 30 CEEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000595662041 345841463 /nfs/dbraw/zinc/84/14/63/345841463.db2.gz YTAVHCNPHGKEKS-ZIAGYGMSSA-N 0 3 275.396 2.225 20 30 CEEDHN COC(=O)CN(CCCCC#N)C1CCCCC1 ZINC000595665186 345842538 /nfs/dbraw/zinc/84/25/38/345842538.db2.gz ZNEQKRUBNRVUHX-UHFFFAOYSA-N 0 3 252.358 2.488 20 30 CEEDHN CCOC(=O)CCCCN1CCC[C@@H](CC#N)C1 ZINC000595613369 345827181 /nfs/dbraw/zinc/82/71/81/345827181.db2.gz CCHXIPABYXSNAZ-ZDUSSCGKSA-N 0 3 252.358 2.345 20 30 CEEDHN CC(C)(NCCOCCC#N)c1cccc(C#N)c1 ZINC000595632540 345832944 /nfs/dbraw/zinc/83/29/44/345832944.db2.gz DWCPHFDOZSCVAU-UHFFFAOYSA-N 0 3 257.337 2.313 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000595753663 345866658 /nfs/dbraw/zinc/86/66/58/345866658.db2.gz ZYQFRUOAJIDNEX-INIZCTEOSA-N 0 3 256.349 2.295 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@@H]2COC[C@@]2(C)C1 ZINC000595761017 345869295 /nfs/dbraw/zinc/86/92/95/345869295.db2.gz WCOXZQQWNQPQDP-GDBMZVCRSA-N 0 3 272.348 2.035 20 30 CEEDHN COc1cc(C#N)ccc1CN1C[C@H]2COC[C@@]2(C)C1 ZINC000595761019 345869497 /nfs/dbraw/zinc/86/94/97/345869497.db2.gz WCOXZQQWNQPQDP-GOEBONIOSA-N 0 3 272.348 2.035 20 30 CEEDHN Cn1cc(C[C@H]2CCC[C@@H]2NCc2ccc(C#N)cn2)cn1 ZINC000595768967 345871882 /nfs/dbraw/zinc/87/18/82/345871882.db2.gz HUWLQILLIXOSHM-WBVHZDCISA-N 0 3 295.390 2.188 20 30 CEEDHN CC1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000595858486 345899693 /nfs/dbraw/zinc/89/96/93/345899693.db2.gz WALQIVKLRKPXRF-UJMBOELQSA-N 0 3 275.396 2.058 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@]1(C)CO ZINC000595870008 345902099 /nfs/dbraw/zinc/90/20/99/345902099.db2.gz FLGBXQYHSPAATL-IAQYHMDHSA-N 0 3 262.328 2.148 20 30 CEEDHN CCCCC[C@@H]1CCCCN1CC(=O)NCC#N ZINC000595870874 345902197 /nfs/dbraw/zinc/90/21/97/345902197.db2.gz LBFPZAKMEJIVHZ-CYBMUJFWSA-N 0 3 251.374 2.061 20 30 CEEDHN COCC1(NCc2ccc(C#N)cn2)CCCCC1 ZINC000595910910 345911369 /nfs/dbraw/zinc/91/13/69/345911369.db2.gz UIFKSDISPOCXBI-UHFFFAOYSA-N 0 3 259.353 2.392 20 30 CEEDHN CN(C(=O)CCNCC1(CC#N)CC1)c1ccccc1 ZINC000596063417 345931039 /nfs/dbraw/zinc/93/10/39/345931039.db2.gz QYGCGUJWDFWIAY-UHFFFAOYSA-N 0 3 271.364 2.323 20 30 CEEDHN Cn1ncc(C#N)c1NCCCN1CCc2ccccc2C1 ZINC000596075215 345934099 /nfs/dbraw/zinc/93/40/99/345934099.db2.gz JSFNTQSQFZMHEL-UHFFFAOYSA-N 0 3 295.390 2.152 20 30 CEEDHN Cc1ccc([C@H](CNc2c(C#N)cnn2C)N(C)C)cc1 ZINC000596093135 345938670 /nfs/dbraw/zinc/93/86/70/345938670.db2.gz SBYGOGYAXXAHBE-HNNXBMFYSA-N 0 3 283.379 2.315 20 30 CEEDHN C=C(C)C[NH+]1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596115991 345943241 /nfs/dbraw/zinc/94/32/41/345943241.db2.gz QNBQKRMYGMRFNE-UHFFFAOYSA-N 0 3 292.339 2.148 20 30 CEEDHN CN(c1nc2ncccc2cc1C#N)[C@@H]1CCCN(C)C1 ZINC000596140331 345949710 /nfs/dbraw/zinc/94/97/10/345949710.db2.gz GOTULJSTOFDMNC-CQSZACIVSA-N 0 3 281.363 2.032 20 30 CEEDHN C[C@H](N=c1[n-]c(C#N)c(Cl)s1)C(C)(C)C[NH+](C)C ZINC000596145177 345951177 /nfs/dbraw/zinc/95/11/77/345951177.db2.gz HULFYCWQEVLFTB-QMMMGPOBSA-N 0 3 286.832 2.478 20 30 CEEDHN Cc1ccn(C[C@H]2CCCCN2C(C)C)c(=O)c1C#N ZINC000596261374 345984001 /nfs/dbraw/zinc/98/40/01/345984001.db2.gz RBZPKHNUPZPFAD-CQSZACIVSA-N 0 3 273.380 2.291 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)c2nc3ncccc3cc2C#N)C1 ZINC000596266600 345985928 /nfs/dbraw/zinc/98/59/28/345985928.db2.gz UVGTZAMJWPTKNM-OAHLLOKOSA-N 0 3 295.390 2.420 20 30 CEEDHN Cc1nnc(N[C@@H]2CCN(C(C)(C)C)C2)c(C#N)c1C ZINC000596337356 346003215 /nfs/dbraw/zinc/00/32/15/346003215.db2.gz VOLVWTFZBMIWHM-GFCCVEGCSA-N 0 3 273.384 2.250 20 30 CEEDHN Cc1nnc(N[C@H](C)CN2CCC(C)CC2)c(C#N)c1C ZINC000596487327 346036215 /nfs/dbraw/zinc/03/62/15/346036215.db2.gz GPERXPVGWWZPKI-GFCCVEGCSA-N 0 3 287.411 2.497 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)Nc2cccc(C#N)c2)CCN1 ZINC000596502514 346040872 /nfs/dbraw/zinc/04/08/72/346040872.db2.gz RNTIWUMQHQXOIR-CQSZACIVSA-N 0 3 272.352 2.020 20 30 CEEDHN C[C@@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)N(C)C1CC1 ZINC000597115963 346129950 /nfs/dbraw/zinc/12/99/50/346129950.db2.gz AIZDZHZUWNXRNX-VIFPVBQESA-N 0 3 293.317 2.049 20 30 CEEDHN Cc1ccc(NC(=O)[C@@H](C)CC#N)c(OCCN(C)C)c1 ZINC000597279761 346167120 /nfs/dbraw/zinc/16/71/20/346167120.db2.gz HFTINPUVTMIYMZ-ZDUSSCGKSA-N 0 3 289.379 2.424 20 30 CEEDHN C[C@H](CC#N)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000597206234 346147891 /nfs/dbraw/zinc/14/78/91/346147891.db2.gz MXDGQZRXANHDDS-ZIAGYGMSSA-N 0 3 273.380 2.173 20 30 CEEDHN N#CCCCOc1cccc(CN2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000597212657 346150028 /nfs/dbraw/zinc/15/00/28/346150028.db2.gz WYDQQIVXVWUQIO-DOTOQJQBSA-N 0 3 286.375 2.326 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1Cc2c[nH]nc2C1 ZINC000597678662 346214427 /nfs/dbraw/zinc/21/44/27/346214427.db2.gz ARAINOWVCNTSQZ-ZDUSSCGKSA-N 0 3 280.331 2.024 20 30 CEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)[C@H](C)CC#N ZINC000597708181 346219432 /nfs/dbraw/zinc/21/94/32/346219432.db2.gz YJSOZCVHGJAXTJ-KGLIPLIRSA-N 0 3 265.401 2.163 20 30 CEEDHN CC[C@H](C(=O)NC(C)(C)c1cccc(C#N)c1)N(C)C ZINC000597951418 346257265 /nfs/dbraw/zinc/25/72/65/346257265.db2.gz YDMDZRODYCEYPV-CQSZACIVSA-N 0 3 273.380 2.250 20 30 CEEDHN C=CCCSCCNC(=O)CCN(C)c1ccncc1 ZINC000597968415 346259537 /nfs/dbraw/zinc/25/95/37/346259537.db2.gz GKMROZCWBVHHHB-UHFFFAOYSA-N 0 3 293.436 2.333 20 30 CEEDHN N#CCC1CN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000598023426 346268295 /nfs/dbraw/zinc/26/82/95/346268295.db2.gz YEKYNDRROYKXSM-HNNXBMFYSA-N 0 3 275.396 2.156 20 30 CEEDHN C[C@@H](C#N)N(C(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC000598128703 346293929 /nfs/dbraw/zinc/29/39/29/346293929.db2.gz OJFNPIRXZJGZAV-LBPRGKRZSA-N 0 3 271.364 2.265 20 30 CEEDHN C[C@H](CC#N)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000598195967 346303056 /nfs/dbraw/zinc/30/30/56/346303056.db2.gz YBCQWWBHFOMTEH-NVXWUHKLSA-N 0 3 299.418 2.312 20 30 CEEDHN CCN(C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)[C@@H](C)C#N ZINC000598356692 346336655 /nfs/dbraw/zinc/33/66/55/346336655.db2.gz VGLACTNCEBQMDT-NDBYEHHHSA-N 0 3 251.374 2.008 20 30 CEEDHN COCCN(Cc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598586220 346377434 /nfs/dbraw/zinc/37/74/34/346377434.db2.gz FGCXLVPAMOVBBQ-INIZCTEOSA-N 0 3 290.407 2.436 20 30 CEEDHN CN(CCOC(C)(C)C)C[C@@H](O)CC(C)(C)C#N ZINC000598592649 346379394 /nfs/dbraw/zinc/37/93/94/346379394.db2.gz KYZUSCVXZYXRKA-LBPRGKRZSA-N 0 3 256.390 2.034 20 30 CEEDHN CN(CCOC(C)(C)C)C[C@H](O)CC(C)(C)C#N ZINC000598592648 346379477 /nfs/dbraw/zinc/37/94/77/346379477.db2.gz KYZUSCVXZYXRKA-GFCCVEGCSA-N 0 3 256.390 2.034 20 30 CEEDHN COC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598599235 346382107 /nfs/dbraw/zinc/38/21/07/346382107.db2.gz BBICSRDBVNEMQB-LSDHHAIUSA-N 0 3 276.380 2.264 20 30 CEEDHN COC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598599231 346382175 /nfs/dbraw/zinc/38/21/75/346382175.db2.gz BBICSRDBVNEMQB-GJZGRUSLSA-N 0 3 276.380 2.264 20 30 CEEDHN Cn1cc([C@@H]2CCCCN2C[C@H](O)CC(C)(C)C#N)cn1 ZINC000598613469 346384133 /nfs/dbraw/zinc/38/41/33/346384133.db2.gz ICJCUXGTNPSEHA-CABCVRRESA-N 0 3 290.411 2.248 20 30 CEEDHN CCC(C)(C)N1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598621602 346386149 /nfs/dbraw/zinc/38/61/49/346386149.db2.gz AQHDBSVKKZWWEF-CQSZACIVSA-N 0 3 281.444 2.093 20 30 CEEDHN Cc1ccnc([C@@H]2CCN(C[C@@H](O)CC(C)(C)C#N)C2)c1 ZINC000598620927 346386345 /nfs/dbraw/zinc/38/63/45/346386345.db2.gz PXMGIUQFPOPIFB-CABCVRRESA-N 0 3 287.407 2.480 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1Cc2c[nH]nc2CC(C)(C)C1 ZINC000598628958 346387719 /nfs/dbraw/zinc/38/77/19/346387719.db2.gz VTQKKEOAGQOKSX-CYBMUJFWSA-N 0 3 290.411 2.095 20 30 CEEDHN Cc1c(Cl)cnc(N2CCC[C@H]2CN(C)C)c1C#N ZINC000273296672 192102498 /nfs/dbraw/zinc/10/24/98/192102498.db2.gz GIPXGEMMMCHNCR-NSHDSACASA-N 0 3 278.787 2.446 20 30 CEEDHN CN(CCN1CCCC1)C(=O)C1(C#N)CCCCC1 ZINC000063053006 362746043 /nfs/dbraw/zinc/74/60/43/362746043.db2.gz BYEHXRCHLUYNNB-UHFFFAOYSA-N 0 3 263.385 2.015 20 30 CEEDHN N#Cc1ccc(NCCN2CC[C@H](O)C2)c(C(F)(F)F)c1 ZINC000599199598 346479000 /nfs/dbraw/zinc/47/90/00/346479000.db2.gz MQMRRXROXZHZKK-NSHDSACASA-N 0 3 299.296 2.056 20 30 CEEDHN Cc1ccc(CN2C[C@H](C)N(C)C[C@H]2C)cc1C#N ZINC000599340892 346502747 /nfs/dbraw/zinc/50/27/47/346502747.db2.gz AYGKVLVWTQLSEP-UONOGXRCSA-N 0 3 257.381 2.391 20 30 CEEDHN COCC[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(C)o1 ZINC000599359130 346506154 /nfs/dbraw/zinc/50/61/54/346506154.db2.gz OVZYNENSESLMQR-ZIAGYGMSSA-N 0 3 292.379 2.310 20 30 CEEDHN COC[C@H](NCc1ccc(C)c(C#N)c1)[C@H]1CCCO1 ZINC000599393064 346513113 /nfs/dbraw/zinc/51/31/13/346513113.db2.gz COXRVUGRPXSUFI-JKSUJKDBSA-N 0 3 274.364 2.150 20 30 CEEDHN Cc1ccc(CN[C@@H]2CCC(=O)NC2(C)C)cc1C#N ZINC000599403331 346514773 /nfs/dbraw/zinc/51/47/73/346514773.db2.gz NDFLXYODYSWYLO-CQSZACIVSA-N 0 3 271.364 2.014 20 30 CEEDHN Cc1ccc(CN2CC[C@@H](CN3CCCC3=O)C2)cc1C#N ZINC000599475867 346526897 /nfs/dbraw/zinc/52/68/97/346526897.db2.gz YDLZZXBYMMEIOK-MRXNPFEDSA-N 0 3 297.402 2.311 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599589527 346543429 /nfs/dbraw/zinc/54/34/29/346543429.db2.gz MPQKDDWYXMCLDI-MJBXVCDLSA-N 0 3 283.412 2.223 20 30 CEEDHN CN(CCC1(C#N)CCCCC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599652905 346555357 /nfs/dbraw/zinc/55/53/57/346555357.db2.gz QBBWXXCAAXHPDR-BETUJISGSA-N 0 3 263.385 2.046 20 30 CEEDHN CCN(C(=O)CCc1ccc(C#N)cc1)C1CCN(C)CC1 ZINC000599986486 346589678 /nfs/dbraw/zinc/58/96/78/346589678.db2.gz VFHHBQMWTNKNTF-UHFFFAOYSA-N 0 3 299.418 2.434 20 30 CEEDHN COC(=O)Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000600183614 346617390 /nfs/dbraw/zinc/61/73/90/346617390.db2.gz BNHQNEWBEUKGRP-LSDHHAIUSA-N 0 3 272.348 2.184 20 30 CEEDHN CCC(C#N)C(=O)N[C@@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000600288758 346631278 /nfs/dbraw/zinc/63/12/78/346631278.db2.gz XKNKRZMZKPECDD-NHYWBVRUSA-N 0 3 280.368 2.164 20 30 CEEDHN N#CCCCCC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600468712 346642110 /nfs/dbraw/zinc/64/21/10/346642110.db2.gz GUFUVBPBAHUQGZ-CQSZACIVSA-N 0 3 263.385 2.203 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@H]2CCOc3ccc(F)cc32)CC1 ZINC000600722524 346678295 /nfs/dbraw/zinc/67/82/95/346678295.db2.gz QWAFJBBAJLECGV-JSGCOSHPSA-N 0 3 290.338 2.294 20 30 CEEDHN CC[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccncc1 ZINC000600726302 346679526 /nfs/dbraw/zinc/67/95/26/346679526.db2.gz SFXPCRRLFZWUCL-UONOGXRCSA-N 0 3 259.353 2.177 20 30 CEEDHN Cc1ccc2c(c1)[C@@H](NC[C@H](O)CC1(C#N)CC1)CO2 ZINC000600728666 346679542 /nfs/dbraw/zinc/67/95/42/346679542.db2.gz ASCQDXGEHSTUON-OCCSQVGLSA-N 0 3 272.348 2.073 20 30 CEEDHN COc1ccccc1[C@H]1CNCCN1Cc1ccc(C#N)o1 ZINC000600770115 346686993 /nfs/dbraw/zinc/68/69/93/346686993.db2.gz VBVMLPBKKZKASY-MRXNPFEDSA-N 0 3 297.358 2.306 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)c1cc(C#N)nc(C2CC2)n1 ZINC000601115712 346756882 /nfs/dbraw/zinc/75/68/82/346756882.db2.gz BCBPTVQPSGGFRC-LBPRGKRZSA-N 0 3 285.395 2.004 20 30 CEEDHN N#CCC1(CNCc2ccnn2CC2CCC2)CC1 ZINC000601122555 346759950 /nfs/dbraw/zinc/75/99/50/346759950.db2.gz ZUJJXGUTJBJEAE-UHFFFAOYSA-N 0 3 258.369 2.467 20 30 CEEDHN CCN1C[C@H](C)N(c2cc(C#N)nc(C3CC3)n2)C[C@@H]1C ZINC000601135465 346764842 /nfs/dbraw/zinc/76/48/42/346764842.db2.gz FKZFKJABWKRNAH-RYUDHWBXSA-N 0 3 285.395 2.145 20 30 CEEDHN CC(C)(C)OC(=O)COCCNCc1cc(C#N)cs1 ZINC000601144586 346768562 /nfs/dbraw/zinc/76/85/62/346768562.db2.gz MKRIWUUWXZTKNC-UHFFFAOYSA-N 0 3 296.392 2.068 20 30 CEEDHN CN1CCC[C@]2(CCN(c3cc(C#N)nc(C4CC4)n3)C2)C1 ZINC000601170078 346776598 /nfs/dbraw/zinc/77/65/98/346776598.db2.gz UVWXGQUSNCQSDN-KRWDZBQOSA-N 0 3 297.406 2.148 20 30 CEEDHN C[C@H](CCC#N)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000602673447 347135979 /nfs/dbraw/zinc/13/59/79/347135979.db2.gz UTUPXFNDFHZISS-HIFRSBDPSA-N 0 3 284.363 2.346 20 30 CEEDHN C[C@H](CCC#N)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000602673450 347136297 /nfs/dbraw/zinc/13/62/97/347136297.db2.gz UTUPXFNDFHZISS-UKRRQHHQSA-N 0 3 284.363 2.346 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C(=O)OC)cs1 ZINC000602683837 347143626 /nfs/dbraw/zinc/14/36/26/347143626.db2.gz UBVDWUXXDDYDIR-OLZOCXBDSA-N 0 3 281.377 2.358 20 30 CEEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cccc(C#N)n1 ZINC000602685602 347145271 /nfs/dbraw/zinc/14/52/71/347145271.db2.gz PUDPEXGICBHXIU-CABCVRRESA-N 0 3 287.363 2.165 20 30 CEEDHN N#Cc1cccc(CNCCC2CC(F)(F)C2)n1 ZINC000602686194 347146553 /nfs/dbraw/zinc/14/65/53/347146553.db2.gz BYOWXYUGHSLTMI-UHFFFAOYSA-N 0 3 251.280 2.478 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCC(C)(C)CC#N)[C@]12CCCO2 ZINC000602692719 347150827 /nfs/dbraw/zinc/15/08/27/347150827.db2.gz YBLBMDDRUNIHHO-UMVBOHGHSA-N 0 3 266.385 2.242 20 30 CEEDHN COc1cc(C[C@@H](C)NCC2(C#N)CCC2)ccn1 ZINC000602698026 347153515 /nfs/dbraw/zinc/15/35/15/347153515.db2.gz WMUGEGOYIRGRCO-GFCCVEGCSA-N 0 3 259.353 2.305 20 30 CEEDHN N#Cc1cccc(CN[C@@H](CO)CC2CCCCC2)n1 ZINC000602697229 347153804 /nfs/dbraw/zinc/15/38/04/347153804.db2.gz WARNNYGGHLVAKD-MRXNPFEDSA-N 0 3 273.380 2.374 20 30 CEEDHN N#Cc1cccc(CN[C@H](C2CC2)[C@@H]2CCCCO2)n1 ZINC000602707140 347161235 /nfs/dbraw/zinc/16/12/35/347161235.db2.gz SWWZTACBAONUTD-JKSUJKDBSA-N 0 3 271.364 2.391 20 30 CEEDHN C[C@@H](c1ccccc1)[C@H](O)CNCc1cccc(C#N)n1 ZINC000602720278 347169688 /nfs/dbraw/zinc/16/96/88/347169688.db2.gz AKIDFRFOWIMJIN-SUMWQHHRSA-N 0 3 281.359 2.207 20 30 CEEDHN C[C@@H](CCC#N)CN1CCCN(CC(F)F)CC1 ZINC000602666005 347131379 /nfs/dbraw/zinc/13/13/79/347131379.db2.gz HUTPECAXGYCYPO-LBPRGKRZSA-N 0 3 259.344 2.199 20 30 CEEDHN CCCCNC(=O)[C@@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602767896 347190414 /nfs/dbraw/zinc/19/04/14/347190414.db2.gz ZLBIOYIPTCPUJJ-CQSZACIVSA-N 0 3 277.412 2.309 20 30 CEEDHN C=CC(C)(C)CCNCc1cc(C(=O)OC)no1 ZINC000602721818 347170454 /nfs/dbraw/zinc/17/04/54/347170454.db2.gz WUNRMDZSAZRSLA-UHFFFAOYSA-N 0 3 252.314 2.153 20 30 CEEDHN CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1cccc(C#N)n1 ZINC000602723767 347171444 /nfs/dbraw/zinc/17/14/44/347171444.db2.gz SUJXGQPEBBOBSV-GOEBONIOSA-N 0 3 287.363 2.165 20 30 CEEDHN N#Cc1cccc(CNC[C@@H]2CCN2C2CCCC2)n1 ZINC000602723503 347171914 /nfs/dbraw/zinc/17/19/14/347171914.db2.gz CGZSNSAIXKSMQO-INIZCTEOSA-N 0 3 270.380 2.060 20 30 CEEDHN N#C[C@H]1CCC[C@@]2(C1)NC(=N)Nc1nc3ccccc3n12 ZINC000602757253 347186057 /nfs/dbraw/zinc/18/60/57/347186057.db2.gz JITQXKHFAGYQKC-ZUZCIYMTSA-N 0 3 280.335 2.353 20 30 CEEDHN COc1ccc(CN2CC[C@@H](C)C[C@H]2CO)cc1C#N ZINC000602932319 347251168 /nfs/dbraw/zinc/25/11/68/347251168.db2.gz UXGCDCKBHKWVRI-DOMZBBRYSA-N 0 3 274.364 2.160 20 30 CEEDHN N#Cc1cccc(OCCN2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000602879434 347236165 /nfs/dbraw/zinc/23/61/65/347236165.db2.gz DMBBFKKINKBALO-MRXNPFEDSA-N 0 3 282.347 2.497 20 30 CEEDHN C=CCCN1CCC(c2cc(C(=O)OC)on2)CC1 ZINC000603000570 347270196 /nfs/dbraw/zinc/27/01/96/347270196.db2.gz FIUUQONSSJWQJA-UHFFFAOYSA-N 0 3 264.325 2.217 20 30 CEEDHN CC#CCCN1CCC(c2cc(C(=O)OC)on2)CC1 ZINC000603000547 347270238 /nfs/dbraw/zinc/27/02/38/347270238.db2.gz DIUQAZKEALNNKZ-UHFFFAOYSA-N 0 3 276.336 2.054 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N(C)C[C@@H](C)C(C)(C)C ZINC000603053411 347277673 /nfs/dbraw/zinc/27/76/73/347277673.db2.gz BWEOQEDWSIPHMK-CHWSQXEVSA-N 0 3 267.417 2.361 20 30 CEEDHN CC(C)(C)[C@H](N)c1cn(CCc2ccc(C#N)cc2)nn1 ZINC000603246747 347320940 /nfs/dbraw/zinc/32/09/40/347320940.db2.gz HAHBBXDDTUUQDS-OAHLLOKOSA-N 0 3 283.379 2.438 20 30 CEEDHN CC#CC[C@H](CO)NCc1cccc(OCCCC#N)c1 ZINC000603431254 347368469 /nfs/dbraw/zinc/36/84/69/347368469.db2.gz FNLPWYRFVRRZHM-MRXNPFEDSA-N 0 3 286.375 2.233 20 30 CEEDHN Cc1nnc(N[C@@H]2CN(C(C)C)C[C@@H]2C)c(C#N)c1C ZINC000129731848 365890927 /nfs/dbraw/zinc/89/09/27/365890927.db2.gz UOKAWGKEWHNOAR-IINYFYTJSA-N 0 3 273.384 2.106 20 30 CEEDHN N#Cc1cccc(NC(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000609391344 347638469 /nfs/dbraw/zinc/63/84/69/347638469.db2.gz XFJMVJUNEMFENB-HNNXBMFYSA-N 0 3 284.363 2.164 20 30 CEEDHN COC(=O)C1(CNCc2cccc(C#N)c2)CCCC1 ZINC000610723801 347707123 /nfs/dbraw/zinc/70/71/23/347707123.db2.gz XSFYXXQVLZFESI-UHFFFAOYSA-N 0 3 272.348 2.381 20 30 CEEDHN Cc1cc(F)cc2c1ncc(C#N)c2NCCN1CCCC1 ZINC000611370474 347770413 /nfs/dbraw/zinc/77/04/13/347770413.db2.gz NWFJHAJXNSZICG-UHFFFAOYSA-N 0 3 298.365 2.484 20 30 CEEDHN CC(C)C(=O)NCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390145 347772517 /nfs/dbraw/zinc/77/25/17/347772517.db2.gz FPMCRAJSDCJQPA-MRXNPFEDSA-N 0 3 285.391 2.297 20 30 CEEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)C(=O)N(C)C ZINC000611394461 347773438 /nfs/dbraw/zinc/77/34/38/347773438.db2.gz KEIRQPQMXZQEPW-ABAIWWIYSA-N 0 3 271.364 2.002 20 30 CEEDHN COCCN(Cc1ccnc(C#N)c1)C1CCCC1 ZINC000610991992 347728513 /nfs/dbraw/zinc/72/85/13/347728513.db2.gz YHYZFRQHGMGKNO-UHFFFAOYSA-N 0 3 259.353 2.344 20 30 CEEDHN C[C@H](NCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(C#N)c1 ZINC000611438127 347779659 /nfs/dbraw/zinc/77/96/59/347779659.db2.gz PPPVQDWUJQTFTE-KFWWJZLASA-N 0 3 287.407 2.318 20 30 CEEDHN CCn1cnnc1CCN[C@@H](C)c1cccc(C#N)c1 ZINC000611438893 347779985 /nfs/dbraw/zinc/77/99/85/347779985.db2.gz KCVZFSVDUYVPTK-LBPRGKRZSA-N 0 3 269.352 2.063 20 30 CEEDHN COCC1(N(C)CCC(=O)Nc2sccc2C#N)CC1 ZINC000611179008 347748300 /nfs/dbraw/zinc/74/83/00/347748300.db2.gz XQAVLCXLCVRPCV-UHFFFAOYSA-N 0 3 293.392 2.059 20 30 CEEDHN COCC1(N(C)CCOc2ccc(C#N)cc2)CC1 ZINC000611178733 347748530 /nfs/dbraw/zinc/74/85/30/347748530.db2.gz KWZZHHJNOGBUNQ-UHFFFAOYSA-N 0 3 260.337 2.048 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000611237235 347755326 /nfs/dbraw/zinc/75/53/26/347755326.db2.gz CADISDJCRPIYGI-UONOGXRCSA-N 0 3 283.412 2.367 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000130229042 365936487 /nfs/dbraw/zinc/93/64/87/365936487.db2.gz MUNQPOLFSYBCDP-QWHCGFSZSA-N 0 3 265.401 2.219 20 30 CEEDHN C[C@H]1CN(Cc2ccc(F)cc2C#N)[C@@H](C)CN1C ZINC000351925957 219249109 /nfs/dbraw/zinc/24/91/09/219249109.db2.gz HKLRBGLTJHUQTA-RYUDHWBXSA-N 0 3 261.344 2.222 20 30 CEEDHN CC(=O)N1CC[C@@H](NCc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000614205116 348157110 /nfs/dbraw/zinc/15/71/10/348157110.db2.gz XNESKOXMTJIAPS-MEDUHNTESA-N 0 3 289.354 2.044 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(CCO)C(C)(C)C1 ZINC000614920895 348254788 /nfs/dbraw/zinc/25/47/88/348254788.db2.gz XSYWTOMCHVFQNW-AWEZNQCLSA-N 0 3 287.407 2.008 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)NCc1ccccc1CN(C)C ZINC000066308232 362860184 /nfs/dbraw/zinc/86/01/84/362860184.db2.gz XZPIIXTZWAVTBS-AWEZNQCLSA-N 0 3 290.407 2.346 20 30 CEEDHN Cc1ccnc(N(C)C[C@H]2CCCN(C)C2)c1C#N ZINC000273346886 192121451 /nfs/dbraw/zinc/12/14/51/192121451.db2.gz ORNNTOIAFUOHRV-ZDUSSCGKSA-N 0 3 258.369 2.040 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cscc1C#N ZINC000351965173 219266902 /nfs/dbraw/zinc/26/69/02/219266902.db2.gz RDIQYEAGTOJTKI-CYBMUJFWSA-N 0 3 291.420 2.470 20 30 CEEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cscc1C#N ZINC000351965175 219267177 /nfs/dbraw/zinc/26/71/77/219267177.db2.gz RDIQYEAGTOJTKI-ZDUSSCGKSA-N 0 3 291.420 2.470 20 30 CEEDHN CC(C)OCC[C@H](O)CN[C@H](C)c1cccc(C#N)c1 ZINC000615973437 348422491 /nfs/dbraw/zinc/42/24/91/348422491.db2.gz JSAYKFDVDXXASN-CJNGLKHVSA-N 0 3 276.380 2.385 20 30 CEEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)C(=O)N(C)C ZINC000616365686 348487667 /nfs/dbraw/zinc/48/76/67/348487667.db2.gz KEIRQPQMXZQEPW-XHDPSFHLSA-N 0 3 271.364 2.002 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NC1CCOCC1 ZINC000617912618 348821147 /nfs/dbraw/zinc/82/11/47/348821147.db2.gz OECJFBKVNACHDS-CQSZACIVSA-N 0 3 272.348 2.054 20 30 CEEDHN Cc1cc(CNCCOC[C@H]2CCOC2)ccc1C#N ZINC000618193522 348898106 /nfs/dbraw/zinc/89/81/06/348898106.db2.gz VVGNAVKVYHCQMC-HNNXBMFYSA-N 0 3 274.364 2.009 20 30 CEEDHN C=CCC1(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CCOCC1 ZINC000618247079 348906182 /nfs/dbraw/zinc/90/61/82/348906182.db2.gz JNIKVPZJNSQVNC-KKUMJFAQSA-N 0 3 294.439 2.489 20 30 CEEDHN CC[C@H](N[C@H](C)[C@H]1CN(C)CCO1)c1ccc(C#N)cc1 ZINC000618572085 348978895 /nfs/dbraw/zinc/97/88/95/348978895.db2.gz UBESPIVJZKQWBE-XOKHGSTOSA-N 0 3 287.407 2.318 20 30 CEEDHN N#CCN1CCC(NCc2sccc2Cl)CC1 ZINC000618723952 349029939 /nfs/dbraw/zinc/02/99/39/349029939.db2.gz ZPRJCKNSISEBEI-UHFFFAOYSA-N 0 3 269.801 2.479 20 30 CEEDHN C[C@H](Cn1ccnc1)NCc1ccc(C#N)c(F)c1 ZINC000404256654 233192414 /nfs/dbraw/zinc/19/24/14/233192414.db2.gz OOKSUJBFNNWJTC-LLVKDONJSA-N 0 3 258.300 2.072 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC=CCC2)cc1 ZINC000619306680 349151567 /nfs/dbraw/zinc/15/15/67/349151567.db2.gz RSMIGVKTWVMVEL-HNNXBMFYSA-N 0 3 265.316 2.029 20 30 CEEDHN CC(C)C1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000619385362 349167078 /nfs/dbraw/zinc/16/70/78/349167078.db2.gz HCSIVGGFXWGOMZ-HNNXBMFYSA-N 0 3 281.359 2.355 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H]1C)C(C)C ZINC000619663118 349212824 /nfs/dbraw/zinc/21/28/24/349212824.db2.gz SPBCUKLTKYZRAS-CABCVRRESA-N 0 3 279.428 2.489 20 30 CEEDHN N#CCN1CCC(N[C@@H]2CCCc3cccnc32)CC1 ZINC000619611101 349204997 /nfs/dbraw/zinc/20/49/97/349204997.db2.gz HTUDDWPPQMQDRN-OAHLLOKOSA-N 0 3 270.380 2.037 20 30 CEEDHN CCC#C[C@H](C)N1CCC[C@](COC)(C(=O)OCC)C1 ZINC000619623960 349206388 /nfs/dbraw/zinc/20/63/88/349206388.db2.gz SXDLPPDEDGKEIU-HOCLYGCPSA-N 0 3 281.396 2.080 20 30 CEEDHN C=CCCCNCc1cn(-c2ccc(F)cc2)nn1 ZINC000623510003 350037549 /nfs/dbraw/zinc/03/75/49/350037549.db2.gz BLUOIBXJSOQYCE-UHFFFAOYSA-N 0 3 260.316 2.462 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000623633495 350071475 /nfs/dbraw/zinc/07/14/75/350071475.db2.gz SMZIJICTMRONPS-HIFRSBDPSA-N 0 3 277.412 2.078 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000623748699 350101026 /nfs/dbraw/zinc/10/10/26/350101026.db2.gz DIXICTHVPFXZEQ-OCCSQVGLSA-N 0 3 279.428 2.371 20 30 CEEDHN CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H](C)O ZINC000352203289 219359908 /nfs/dbraw/zinc/35/99/08/219359908.db2.gz QMRYYCRQFYARAM-ZDUSSCGKSA-N 0 3 298.390 2.161 20 30 CEEDHN CN(CC#CCN1C(=O)c2ccccc2C1=O)C(C)(C)C ZINC000625510188 350517452 /nfs/dbraw/zinc/51/74/52/350517452.db2.gz ZLMREZRVLFCCSE-UHFFFAOYSA-N 0 3 284.359 2.016 20 30 CEEDHN N#Cc1ccsc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000107600623 186182355 /nfs/dbraw/zinc/18/23/55/186182355.db2.gz HHRGLFVIGUHGDT-ZDUSSCGKSA-N 0 3 289.404 2.320 20 30 CEEDHN C=CC[C@@H]1CCN(CCn2cnc3ccccc3c2=O)C1 ZINC000625703511 350551955 /nfs/dbraw/zinc/55/19/55/350551955.db2.gz LMIPDWHWRKTXSD-CQSZACIVSA-N 0 3 283.375 2.295 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)NC2CCCCC2)C1 ZINC000625703653 350551978 /nfs/dbraw/zinc/55/19/78/350551978.db2.gz OHDCWABWZYIYAZ-ZDUSSCGKSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCC(C)(C)C(=O)N1CCC(N2CCCOCC2)CC1 ZINC000627742275 350915441 /nfs/dbraw/zinc/91/54/41/350915441.db2.gz OYODYOGVLUHCOL-UHFFFAOYSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CC(C)(C)CCN[C@@H](Cc1ccccc1)C(N)=O ZINC000629250659 351309413 /nfs/dbraw/zinc/30/94/13/351309413.db2.gz AADSCZZDOGOCLY-AWEZNQCLSA-N 0 3 260.381 2.275 20 30 CEEDHN C=C[C@H](C)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000119355678 186821768 /nfs/dbraw/zinc/82/17/68/186821768.db2.gz ICRMYIJVBLSZQJ-NWDGAFQWSA-N 0 3 282.409 2.162 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC[C@@](C)(CC)C2)C1=O ZINC000337170117 366049615 /nfs/dbraw/zinc/04/96/15/366049615.db2.gz DYSIHJMQQGYZLJ-UKRRQHHQSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC[C@H](CC)CC2)C1=O ZINC000337171181 366050647 /nfs/dbraw/zinc/05/06/47/366050647.db2.gz FPYJXVBBTKZDTE-UONOGXRCSA-N 0 3 250.386 2.285 20 30 CEEDHN C=CCN1CC[C@H](N2CCC(C)(CC)CC2)C1=O ZINC000337147861 366040837 /nfs/dbraw/zinc/04/08/37/366040837.db2.gz ZMAGSLFSJBUROJ-ZDUSSCGKSA-N 0 3 250.386 2.285 20 30 CEEDHN CC(=O)c1ccc(C#N)cc1N(C)C[C@H]1CCCN1C ZINC000131310520 366041740 /nfs/dbraw/zinc/04/17/40/366041740.db2.gz VBUXXRXMRNBJHF-CQSZACIVSA-N 0 3 271.364 2.291 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(Br)s1 ZINC000070559695 363095528 /nfs/dbraw/zinc/09/55/28/363095528.db2.gz JCBIAULIOZUBDJ-ZCFIWIBFSA-N 0 3 273.155 2.286 20 30 CEEDHN C=C(C)CN1CCC(Nc2cc(OCC)ncn2)CC1 ZINC000124090076 187121425 /nfs/dbraw/zinc/12/14/25/187121425.db2.gz RQGOPEHHZBBBBV-UHFFFAOYSA-N 0 3 276.384 2.328 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)c2cccc(C#N)c2)CCN1C ZINC000123407645 187089802 /nfs/dbraw/zinc/08/98/02/187089802.db2.gz LNHHXVCRSQKPKM-WFASDCNBSA-N 0 3 271.364 2.113 20 30 CEEDHN C=CCN1CC[C@H](N2CC[C@H](C)C(C)(C)C2)C1=O ZINC000337214652 366082133 /nfs/dbraw/zinc/08/21/33/366082133.db2.gz XSPSIKURQYTRAV-STQMWFEESA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)c1nocc1C)C(C)C ZINC000631274795 352048544 /nfs/dbraw/zinc/04/85/44/352048544.db2.gz STAHUUKEKAKYLP-CQSZACIVSA-N 0 3 291.395 2.411 20 30 CEEDHN C=CCN(C[C@@H](O)COCc1ccccc1F)C1CC1 ZINC000271523769 191190670 /nfs/dbraw/zinc/19/06/70/191190670.db2.gz WDTPWGDBZBPTEL-OAHLLOKOSA-N 0 3 279.355 2.354 20 30 CEEDHN CC(C)(C)OCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292049663 198145309 /nfs/dbraw/zinc/14/53/09/198145309.db2.gz BCTUKEATCYAEDZ-AWEZNQCLSA-N 0 3 289.379 2.221 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)[C@H](CC)CSC ZINC000271528297 191193824 /nfs/dbraw/zinc/19/38/24/191193824.db2.gz ICGRTSMYXZBICW-CYBMUJFWSA-N 0 3 270.442 2.260 20 30 CEEDHN COc1ccc(CN2CCC[C@@H]2C[C@@H](C)O)cc1C#N ZINC000152906331 188052228 /nfs/dbraw/zinc/05/22/28/188052228.db2.gz CMGLANKWYWVGFP-IUODEOHRSA-N 0 3 274.364 2.302 20 30 CEEDHN C#CCOc1ccccc1CNCCSCC#C ZINC000152933381 188053781 /nfs/dbraw/zinc/05/37/81/188053781.db2.gz SCXCJSIOBBGXBV-UHFFFAOYSA-N 0 3 259.374 2.155 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@@H]2CCC(C)(C)C2)C1=O ZINC000337232683 366093500 /nfs/dbraw/zinc/09/35/00/366093500.db2.gz JQIQHPCYEHBRMK-OLZOCXBDSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C[C@@H](C)CC(C)C)C1=O ZINC000337229106 366090308 /nfs/dbraw/zinc/09/03/08/366090308.db2.gz ROHHMQZCLPJPJT-UONOGXRCSA-N 0 3 252.402 2.387 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)C2CCOCC2)CC1 ZINC000131940509 366103110 /nfs/dbraw/zinc/10/31/10/366103110.db2.gz YRLWWVFWQFRVTP-CQSZACIVSA-N 0 3 294.439 2.206 20 30 CEEDHN C=CCN1CC[C@@H](N(CCOC)C[C@H]2CC=CCC2)C1=O ZINC000337252277 366107146 /nfs/dbraw/zinc/10/71/46/366107146.db2.gz RLBNCTJPLRORRV-JKSUJKDBSA-N 0 3 292.423 2.078 20 30 CEEDHN CCC[C@@H](C)N1CCN(c2cccc(C#N)n2)CC1 ZINC000337318726 366141797 /nfs/dbraw/zinc/14/17/97/366141797.db2.gz MZPSTBFEIWZKHT-CYBMUJFWSA-N 0 3 258.369 2.264 20 30 CEEDHN C=CCOc1ccc(C(=O)NC[C@@H]2CCCN2CC)cc1 ZINC000074291170 363320512 /nfs/dbraw/zinc/32/05/12/363320512.db2.gz KIYHVVHCMBEVQT-HNNXBMFYSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC1)C(C)C ZINC000074453778 363342197 /nfs/dbraw/zinc/34/21/97/363342197.db2.gz JKRXUGXTWHHMPI-HNNXBMFYSA-N 0 3 279.428 2.490 20 30 CEEDHN CCN(CCNC(=O)c1cccc(C#N)c1C)C1CC1 ZINC000338123731 366200693 /nfs/dbraw/zinc/20/06/93/366200693.db2.gz XYDURMHJTYWLBO-UHFFFAOYSA-N 0 3 271.364 2.081 20 30 CEEDHN C=C(C)[C@H](CO)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000671244203 540027051 /nfs/dbraw/zinc/02/70/51/540027051.db2.gz RTIFRZKCZIDVOE-INIZCTEOSA-N 0 3 296.361 2.414 20 30 CEEDHN C#CCCN[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000271761999 191310944 /nfs/dbraw/zinc/31/09/44/191310944.db2.gz VRBPJIUEMGXDQF-BXUZGUMPSA-N 0 3 272.348 2.470 20 30 CEEDHN N#CC1(c2ccccc2)CC(NC[C@H]2CCCO2)C1 ZINC000086036248 283049577 /nfs/dbraw/zinc/04/95/77/283049577.db2.gz DTMYOAZWYARBKG-HWOWSKLDSA-N 0 3 256.349 2.379 20 30 CEEDHN N#CC1(NC(=O)C2CN(C3CCCCC3)C2)CCCC1 ZINC000334700307 283047880 /nfs/dbraw/zinc/04/78/80/283047880.db2.gz NUODRWQSZALAMM-UHFFFAOYSA-N 0 3 275.396 2.203 20 30 CEEDHN C#CCCN[C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000271762005 191311821 /nfs/dbraw/zinc/31/18/21/191311821.db2.gz VRBPJIUEMGXDQF-SMDDNHRTSA-N 0 3 272.348 2.470 20 30 CEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1c(C#N)cccc1C#N ZINC000376205727 291063352 /nfs/dbraw/zinc/06/33/52/291063352.db2.gz SHZYWOQHIFZPCS-XJKSGUPXSA-N 0 3 280.375 2.493 20 30 CEEDHN COc1ccccc1CCNCc1ccc(C#N)o1 ZINC000174241846 188888192 /nfs/dbraw/zinc/88/81/92/188888192.db2.gz PLBMPTGXZAYAIZ-UHFFFAOYSA-N 0 3 256.305 2.492 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](NCCN1CCSCC1)CC2 ZINC000353274855 283198296 /nfs/dbraw/zinc/19/82/96/283198296.db2.gz PXCABHCPXNNZNU-MRXNPFEDSA-N 0 3 287.432 2.184 20 30 CEEDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CCS1 ZINC000134343058 366310119 /nfs/dbraw/zinc/31/01/19/366310119.db2.gz WBYRTSQLZLDCQZ-GFCCVEGCSA-N 0 3 289.404 2.324 20 30 CEEDHN C=CC[C@H](CO)NCc1c[nH]nc1-c1ccc(C)o1 ZINC000320340327 538774362 /nfs/dbraw/zinc/77/43/62/538774362.db2.gz AVISZJOQSZXMME-GFCCVEGCSA-N 0 3 261.325 2.005 20 30 CEEDHN N#Cc1ncccc1N1CC[C@H](N2CCCCC2)C1 ZINC000130006019 283254003 /nfs/dbraw/zinc/25/40/03/283254003.db2.gz NFTHSLBZUQYYGJ-ZDUSSCGKSA-N 0 3 256.353 2.018 20 30 CEEDHN COc1ccc(CN[C@@H](C)CSC)cc1C#N ZINC000135189543 366404904 /nfs/dbraw/zinc/40/49/04/366404904.db2.gz FLOJYIAHKZWZFY-JTQLQIEISA-N 0 3 250.367 2.408 20 30 CEEDHN CC[C@H](NCc1ccc(C#N)s1)[C@H](O)C(F)F ZINC000294920744 199249913 /nfs/dbraw/zinc/24/99/13/199249913.db2.gz AUVKUKLMNPMORR-UWVGGRQHSA-N 0 3 260.309 2.114 20 30 CEEDHN CCC#C[C@@H](C)N1CCC[C@H](CCNC(C)=O)C1 ZINC000672576568 540628031 /nfs/dbraw/zinc/62/80/31/540628031.db2.gz NMHVQHIFWNIDIA-UKRRQHHQSA-N 0 3 250.386 2.027 20 30 CEEDHN C=CCN(CC[C@H]1CCNC1=O)Cc1ccccc1 ZINC000578956298 366570358 /nfs/dbraw/zinc/57/03/58/366570358.db2.gz YNVPEKNDSDKPLN-OAHLLOKOSA-N 0 3 258.365 2.201 20 30 CEEDHN C[C@H]1C[C@H](NCc2ccc(C#N)s2)CN1C1CC1 ZINC000151116073 366622028 /nfs/dbraw/zinc/62/20/28/366622028.db2.gz ADSKKDHHWUVYRQ-QWRGUYRKSA-N 0 3 261.394 2.335 20 30 CEEDHN C[C@@H]1C[C@@H]1N1C[C@H](N[C@H]2CCc3ccc(C#N)cc32)CC1=O ZINC000579652363 366676990 /nfs/dbraw/zinc/67/69/90/366676990.db2.gz ZQNRPHJTVKTVJW-OFIKQIQMSA-N 0 3 295.386 2.144 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](NCCOC[C@H]1CCCO1)CC2 ZINC000579651962 366677624 /nfs/dbraw/zinc/67/76/24/366677624.db2.gz LKQZUFSCOLZGGH-NVXWUHKLSA-N 0 3 286.375 2.331 20 30 CEEDHN CC(C)[C@@H](CNCc1ccc(C#N)s1)N1CCOCC1 ZINC000176943975 189015682 /nfs/dbraw/zinc/01/56/82/189015682.db2.gz HOYZRORQRRHDMY-OAHLLOKOSA-N 0 3 293.436 2.066 20 30 CEEDHN N#Cc1ccc(CNC[C@H](O)Cc2ccccc2)s1 ZINC000176964619 189017568 /nfs/dbraw/zinc/01/75/68/189017568.db2.gz LWUWOBWWIRYOCE-CYBMUJFWSA-N 0 3 272.373 2.313 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H]1C[C@@H](C)O ZINC000152516326 366700447 /nfs/dbraw/zinc/70/04/47/366700447.db2.gz SZAJJQYIIKWJKW-QLFBSQMISA-N 0 3 282.428 2.035 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000153031259 366725806 /nfs/dbraw/zinc/72/58/06/366725806.db2.gz VLDUEYMMXHBRAY-BRWVUGGUSA-N 0 3 286.375 2.093 20 30 CEEDHN CN1CCC[C@H](CNc2ccc(Cl)c(C#N)n2)C1 ZINC000301529165 201048982 /nfs/dbraw/zinc/04/89/82/201048982.db2.gz OQMGLPGGEDHNPZ-SNVBAGLBSA-N 0 3 264.760 2.360 20 30 CEEDHN N#Cc1ccc(CNCCCn2ccnc2)c(F)c1 ZINC000083430282 363773003 /nfs/dbraw/zinc/77/30/03/363773003.db2.gz HTUQEYXEYQSROC-UHFFFAOYSA-N 0 3 258.300 2.074 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(C#N)cc1 ZINC000027771430 361658734 /nfs/dbraw/zinc/65/87/34/361658734.db2.gz QBHHQIYUBAFVGS-CYBMUJFWSA-N 0 3 271.364 2.162 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000678737596 541168611 /nfs/dbraw/zinc/16/86/11/541168611.db2.gz SKZZSPIILFYNIN-IAQYHMDHSA-N 0 3 262.353 2.233 20 30 CEEDHN C=C(C)CN[C@@H](CC)c1ccccc1OCC(=O)NC ZINC000678750291 541169245 /nfs/dbraw/zinc/16/92/45/541169245.db2.gz XDBNVNZDOYRSPG-AWEZNQCLSA-N 0 3 276.380 2.428 20 30 CEEDHN CC#CCN(C)CCCOc1cc(OC)cc(OC)c1 ZINC000084865743 363824290 /nfs/dbraw/zinc/82/42/90/363824290.db2.gz STFHVRHGRTXNHN-UHFFFAOYSA-N 0 3 277.364 2.428 20 30 CEEDHN CC(C)(C#N)CCCN(CC(N)=O)C1CCCC1 ZINC000087608611 363862433 /nfs/dbraw/zinc/86/24/33/363862433.db2.gz OZJDXNCZZXLLQM-UHFFFAOYSA-N 0 3 251.374 2.046 20 30 CEEDHN CCC(O)(CC)CNCc1ccc(OC)c(C#N)c1 ZINC000087824532 363870628 /nfs/dbraw/zinc/87/06/28/363870628.db2.gz BZPGMNBPLRKQIL-UHFFFAOYSA-N 0 3 262.353 2.208 20 30 CEEDHN CCOCCN(CC)Cc1ccc(OC)c(C#N)c1 ZINC000087833414 363872353 /nfs/dbraw/zinc/87/23/53/363872353.db2.gz VFDYZWQRORPAFD-UHFFFAOYSA-N 0 3 262.353 2.425 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2ccc(C)c(O)c2)CC1 ZINC000089440362 363967611 /nfs/dbraw/zinc/96/76/11/363967611.db2.gz KVNLAEQKPDDGOZ-UHFFFAOYSA-N 0 3 288.391 2.010 20 30 CEEDHN CN(C[C@H]1CCCN1C)c1nc2c(cc1C#N)CCCC2 ZINC000092631218 364090430 /nfs/dbraw/zinc/09/04/30/364090430.db2.gz AKFOTBBEFYFNFJ-OAHLLOKOSA-N 0 3 284.407 2.362 20 30 CEEDHN C[C@@H]1CN(C(=O)C2(C#N)CCCC2)CCN(C2CCC2)C1 ZINC000334752953 364259858 /nfs/dbraw/zinc/25/98/58/364259858.db2.gz ITDXZDLKIOPPMQ-AWEZNQCLSA-N 0 3 289.423 2.403 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000335008636 364344110 /nfs/dbraw/zinc/34/41/10/364344110.db2.gz ZGTHFWOHIFPKHM-HNNXBMFYSA-N 0 3 284.363 2.179 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000334978429 364302844 /nfs/dbraw/zinc/30/28/44/364302844.db2.gz LVJBKOLCMNLUQU-CYBMUJFWSA-N 0 3 290.342 2.255 20 30 CEEDHN CC1CCC(N2CCN(c3ccnc(C#N)n3)CC2)CC1 ZINC000581954223 366840630 /nfs/dbraw/zinc/84/06/30/366840630.db2.gz OPCFFFDRYBHCRK-UHFFFAOYSA-N 0 3 285.395 2.049 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@@H](O)COC(C)C ZINC000097206013 364479413 /nfs/dbraw/zinc/47/94/13/364479413.db2.gz QNPDAWBIFVYLHI-MRXNPFEDSA-N 0 3 263.381 2.461 20 30 CEEDHN CC#CCN(Cc1ccccc1)C[C@@H](C)C(=O)OC ZINC000157885061 366849498 /nfs/dbraw/zinc/84/94/98/366849498.db2.gz XCRXBVRTTMLXQK-CQSZACIVSA-N 0 3 259.349 2.321 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N(C)CCC1CCCCC1 ZINC000101565724 364562109 /nfs/dbraw/zinc/56/21/09/364562109.db2.gz DHYNZELWYUPSJP-CYBMUJFWSA-N 0 3 295.427 2.289 20 30 CEEDHN Cc1cc(CN2CC[C@H](CO)C[C@@H]2C)ccc1C#N ZINC000335147594 364543353 /nfs/dbraw/zinc/54/33/53/364543353.db2.gz JLOJJEOQHRIRHW-ZFWWWQNUSA-N 0 3 258.365 2.460 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC[C@H]2CCCC[C@@H]21 ZINC000103266183 364638053 /nfs/dbraw/zinc/63/80/53/364638053.db2.gz FQPAMCVNMPUISS-CABCVRRESA-N 0 3 277.412 2.403 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC23CCC3)cc1 ZINC000335327933 364686382 /nfs/dbraw/zinc/68/63/82/364686382.db2.gz IMLNXXBNACIYFW-OAHLLOKOSA-N 0 3 279.343 2.396 20 30 CEEDHN Cc1cc(CN2CC[C@](O)(C3CC3)C2)ccc1C#N ZINC000335211797 364630375 /nfs/dbraw/zinc/63/03/75/364630375.db2.gz IGOBINNZSDBJQS-MRXNPFEDSA-N 0 3 256.349 2.214 20 30 CEEDHN CCCCN(C)CCNC(=O)c1cccc(C#N)c1 ZINC000112309230 364788829 /nfs/dbraw/zinc/78/88/29/364788829.db2.gz BIBDMSSRCDUXIY-UHFFFAOYSA-N 0 3 259.353 2.020 20 30 CEEDHN CN(C[C@@H]1CCCN1C)C(=O)Nc1cccc(C#N)c1 ZINC000335606671 212318414 /nfs/dbraw/zinc/31/84/14/212318414.db2.gz LZJKXXKZEVSWCM-AWEZNQCLSA-N 0 3 272.352 2.116 20 30 CEEDHN C=CC[C@@H](CO)NCc1c[nH]nc1-c1ccc(OC)cc1 ZINC000680484766 541418317 /nfs/dbraw/zinc/41/83/17/541418317.db2.gz NRDJEJKAQFXMGE-AWEZNQCLSA-N 0 3 287.363 2.112 20 30 CEEDHN C=C(C)CN(CC)Cc1c(C)nn(CCC(=O)OC)c1C ZINC000158999836 366867339 /nfs/dbraw/zinc/86/73/39/366867339.db2.gz LZUCTEPHTMQEMG-UHFFFAOYSA-N 0 3 293.411 2.461 20 30 CEEDHN COc1ccc(CNC(C)(C)CO)cc1OCCCC#N ZINC000116341474 365051777 /nfs/dbraw/zinc/05/17/77/365051777.db2.gz OBGMEZHHVVTTIY-UHFFFAOYSA-N 0 3 292.379 2.238 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@H](CO)CC2)cc1F ZINC000335909615 365149415 /nfs/dbraw/zinc/14/94/15/365149415.db2.gz YKVCJRZSUCVWAI-LBPRGKRZSA-N 0 3 262.328 2.292 20 30 CEEDHN C[C@H](C1CCC1)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000357013997 370802691 /nfs/dbraw/zinc/80/26/91/370802691.db2.gz WDPCBYMNLCHZAN-CYBMUJFWSA-N 0 3 277.412 2.449 20 30 CEEDHN C#CCN(CCC(=O)N1CCc2ccccc2C1)C1CC1 ZINC000275446157 193041609 /nfs/dbraw/zinc/04/16/09/193041609.db2.gz KGWSYDQFSYLSKR-UHFFFAOYSA-N 0 3 282.387 2.059 20 30 CEEDHN COc1cc(CN[C@H](C)C(C)(C)OC)ccc1C#N ZINC000340397759 366871974 /nfs/dbraw/zinc/87/19/74/366871974.db2.gz VNEPAKUBPLAVNR-LLVKDONJSA-N 0 3 262.353 2.470 20 30 CEEDHN N#Cc1cccc(C(=O)N[C@H]2CCN(C3CCCC3)C2)c1 ZINC000336138048 365463437 /nfs/dbraw/zinc/46/34/37/365463437.db2.gz PRONGVTZIDPRLT-HNNXBMFYSA-N 0 3 283.375 2.305 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000336178537 365517792 /nfs/dbraw/zinc/51/77/92/365517792.db2.gz LJGAQGPOZDMCBL-JSGCOSHPSA-N 0 3 271.364 2.079 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](CC)c1ccc(OC)cc1 ZINC000121076793 365520240 /nfs/dbraw/zinc/52/02/40/365520240.db2.gz AGCDWDRJEZTHBQ-DOMZBBRYSA-N 0 3 276.380 2.427 20 30 CEEDHN CCN1CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000336157033 365489418 /nfs/dbraw/zinc/48/94/18/365489418.db2.gz WOGZRYWNFMLCDJ-UHFFFAOYSA-N 0 3 297.402 2.144 20 30 CEEDHN CC(C)[C@@H](O)C(C)(C)CNC[C@@H](C#N)CCC#N ZINC000582421101 366910559 /nfs/dbraw/zinc/91/05/59/366910559.db2.gz WWRNKONJJCIJAR-CHWSQXEVSA-N 0 3 251.374 2.063 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCCCC[C@H]2O)s1 ZINC000161136974 367061229 /nfs/dbraw/zinc/06/12/29/367061229.db2.gz VSLNORYRYHRTIX-CHWSQXEVSA-N 0 3 250.367 2.403 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000357925374 370836501 /nfs/dbraw/zinc/83/65/01/370836501.db2.gz HWJBAXVAJYHMCA-BYCMXARLSA-N 0 3 280.331 2.004 20 30 CEEDHN C[C@H]1CC2(CCC2)CN1Cc1cnc2c(C#N)cnn2c1 ZINC000584469894 367161928 /nfs/dbraw/zinc/16/19/28/367161928.db2.gz BSNIOECJZXAGII-LBPRGKRZSA-N 0 3 281.363 2.365 20 30 CEEDHN C#CCCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245677045 370856044 /nfs/dbraw/zinc/85/60/44/370856044.db2.gz UHTYNTJAORXZTQ-HZPDHXFCSA-N 0 3 285.391 2.144 20 30 CEEDHN C[C@H]1CCC[C@H]1NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000163089087 367218028 /nfs/dbraw/zinc/21/80/28/367218028.db2.gz XKKKLSGGJKWZGH-SWLSCSKDSA-N 0 3 292.404 2.110 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000342396094 367405086 /nfs/dbraw/zinc/40/50/86/367405086.db2.gz CYZDJCRFEBLHBZ-UONOGXRCSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@@H]1CCCCN1CC ZINC000342430711 367408444 /nfs/dbraw/zinc/40/84/44/367408444.db2.gz BRGAYTVSGNGQSY-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN CC[C@H](NCc1cnc2ccc(C#N)cn12)[C@H]1CCCO1 ZINC000342784738 367535023 /nfs/dbraw/zinc/53/50/23/367535023.db2.gz WERFIAYZLXFVGB-LSDHHAIUSA-N 0 3 284.363 2.253 20 30 CEEDHN C=CCCN(C)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000342735196 367506522 /nfs/dbraw/zinc/50/65/22/367506522.db2.gz OQYQREAJULQDPX-HZSPNIEDSA-N 0 3 252.402 2.387 20 30 CEEDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cccc(CC#N)c1 ZINC000172234692 367701110 /nfs/dbraw/zinc/70/11/10/367701110.db2.gz JSIUYAAGVMSDIC-HNNXBMFYSA-N 0 3 285.391 2.166 20 30 CEEDHN CC[C@@H](C)N[C@@H](CNc1nc(C)cc(C#N)n1)c1ccco1 ZINC000343246877 367723436 /nfs/dbraw/zinc/72/34/36/367723436.db2.gz GCNDRFAIMMGFOR-RISCZKNCSA-N 0 3 299.378 2.213 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H](CCCC)COC)CC1 ZINC000172351931 367723676 /nfs/dbraw/zinc/72/36/76/367723676.db2.gz ZIDZNQYYLMUDRQ-HNNXBMFYSA-N 0 3 297.443 2.141 20 30 CEEDHN CCCN(CCN1CCCC1)c1ccc(C#N)cn1 ZINC000343259096 367729198 /nfs/dbraw/zinc/72/91/98/367729198.db2.gz XIMSWAJNBZMTFX-UHFFFAOYSA-N 0 3 258.369 2.265 20 30 CEEDHN Cc1ccc(C#N)c(N[C@H]2CN(C(C)C)C[C@H]2C)n1 ZINC000245721494 370863939 /nfs/dbraw/zinc/86/39/39/370863939.db2.gz HLNYORJHYCVPSM-RISCZKNCSA-N 0 3 258.369 2.402 20 30 CEEDHN CN(CC1(C#N)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000343302812 367748163 /nfs/dbraw/zinc/74/81/63/367748163.db2.gz MSEIJCOSUXFXON-MRXNPFEDSA-N 0 3 269.392 2.496 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]2CCCC[C@H]21 ZINC000245839899 370879029 /nfs/dbraw/zinc/87/90/29/370879029.db2.gz FQPAMCVNMPUISS-LSDHHAIUSA-N 0 3 277.412 2.403 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343419317 367803663 /nfs/dbraw/zinc/80/36/63/367803663.db2.gz PWIYCWRDQNVBKD-WFASDCNBSA-N 0 3 271.364 2.079 20 30 CEEDHN CCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H](C)C(C)C ZINC000343518726 367859215 /nfs/dbraw/zinc/85/92/15/367859215.db2.gz HBGDYBKAOVVPCP-IUODEOHRSA-N 0 3 265.401 2.161 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](C)[C@@H](C)C1 ZINC000245975746 370896372 /nfs/dbraw/zinc/89/63/72/370896372.db2.gz XDALLLJYJZRBEN-KGLIPLIRSA-N 0 3 252.402 2.389 20 30 CEEDHN COC(=O)c1ccc(CNCCc2cccc(C#N)c2)o1 ZINC000343637431 367931514 /nfs/dbraw/zinc/93/15/14/367931514.db2.gz KDXIZJDVNDAYKO-UHFFFAOYSA-N 0 3 284.315 2.270 20 30 CEEDHN Cc1nccn1C[C@H](C)CNCc1ccc(C#N)o1 ZINC000174350455 368013994 /nfs/dbraw/zinc/01/39/94/368013994.db2.gz OQDRCHGMNXGNHA-LLVKDONJSA-N 0 3 258.325 2.082 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000174379248 368016413 /nfs/dbraw/zinc/01/64/13/368016413.db2.gz MNCDLNJLCIIQQH-KBPBESRZSA-N 0 3 298.390 2.214 20 30 CEEDHN C=CCC(C)(C)C(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000344066362 368105088 /nfs/dbraw/zinc/10/50/88/368105088.db2.gz MDUKISYZQGSKSD-NEPJUHHUSA-N 0 3 270.442 2.093 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000344105574 368108302 /nfs/dbraw/zinc/10/83/02/368108302.db2.gz JOZLWPWSYYSYIE-XQQFMLRXSA-N 0 3 270.442 2.093 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000633205688 368108378 /nfs/dbraw/zinc/10/83/78/368108378.db2.gz GFKPSEWOTOQAKB-MRXNPFEDSA-N 0 3 262.397 2.287 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H](C(C)(C)C)C1 ZINC000344208225 368115285 /nfs/dbraw/zinc/11/52/85/368115285.db2.gz JZCGTFBMCXCGGD-CJNGLKHVSA-N 0 3 279.428 2.409 20 30 CEEDHN COc1ccc(CNC[C@@H](CO)c2ccccc2)cc1C#N ZINC000175049186 368092036 /nfs/dbraw/zinc/09/20/36/368092036.db2.gz SQCJHUAUTVUUTD-KRWDZBQOSA-N 0 3 296.370 2.433 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000345166695 368177607 /nfs/dbraw/zinc/17/76/07/368177607.db2.gz SVEIPAXQJOVSHE-DOMZBBRYSA-N 0 3 286.379 2.471 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCCN1CCOC ZINC000180805683 368397003 /nfs/dbraw/zinc/39/70/03/368397003.db2.gz MZQYWZWVABATAC-GJZGRUSLSA-N 0 3 297.443 2.141 20 30 CEEDHN Cc1cccc([C@@H](NCC(=O)NCC#N)C(C)(C)C)c1 ZINC000180797583 368397007 /nfs/dbraw/zinc/39/70/07/368397007.db2.gz QUTXGOZLMHSMOV-OAHLLOKOSA-N 0 3 273.380 2.312 20 30 CEEDHN CC(C)COC[C@H](O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000181976543 368512014 /nfs/dbraw/zinc/51/20/14/368512014.db2.gz WPBWZDQAHROJTD-XJKSGUPXSA-N 0 3 276.380 2.242 20 30 CEEDHN C=CCCC1(C(=O)N2CC[C@@]3(CCN(C)C3)C2)CC1 ZINC000346319724 368634867 /nfs/dbraw/zinc/63/48/67/368634867.db2.gz KFVBRVQJBCWZDL-OAHLLOKOSA-N 0 3 262.397 2.287 20 30 CEEDHN CN(CCC1CCOCC1)Cc1ccc(C#N)cn1 ZINC000572703579 299390847 /nfs/dbraw/zinc/39/08/47/299390847.db2.gz RJTGKFARZRPDCO-UHFFFAOYSA-N 0 3 259.353 2.202 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CCCC(CC)(CC)CC1 ZINC000346472084 368688056 /nfs/dbraw/zinc/68/80/56/368688056.db2.gz BGDMSNKPOGDSJU-UHFFFAOYSA-N 0 3 295.427 2.291 20 30 CEEDHN C=CCC[C@H](O)CN(C)[C@@H]1CCCc2c1cnn2C ZINC000246277727 370939450 /nfs/dbraw/zinc/93/94/50/370939450.db2.gz NEURBSLRBQVUTC-GXTWGEPZSA-N 0 3 263.385 2.056 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000348027169 368863631 /nfs/dbraw/zinc/86/36/31/368863631.db2.gz BICBTYXTUBREQE-NEPJUHHUSA-N 0 3 268.320 2.209 20 30 CEEDHN C=CCOCCCN[C@@H](CO)c1ccc(F)cc1 ZINC000348027723 368864321 /nfs/dbraw/zinc/86/43/21/368864321.db2.gz GBHNLECZKONUSP-AWEZNQCLSA-N 0 3 253.317 2.041 20 30 CEEDHN C=CCOCCCN1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC000348045326 368871575 /nfs/dbraw/zinc/87/15/75/368871575.db2.gz ICVXAOMJYCNKDF-CVEARBPZSA-N 0 3 282.428 2.300 20 30 CEEDHN C=CCOCCCN(C)Cc1ccc([S@](C)=O)cc1 ZINC000348057161 368877926 /nfs/dbraw/zinc/87/79/26/368877926.db2.gz SKUOIUBDERWINC-IBGZPJMESA-N 0 3 281.421 2.449 20 30 CEEDHN C=CCOCCCN(C)Cc1ccc([S@@](C)=O)cc1 ZINC000348057163 368878412 /nfs/dbraw/zinc/87/84/12/368878412.db2.gz SKUOIUBDERWINC-LJQANCHMSA-N 0 3 281.421 2.449 20 30 CEEDHN CCC[C@@H]1CCCCN1CC(=O)N(CC)CCC#N ZINC000185878534 368879316 /nfs/dbraw/zinc/87/93/16/368879316.db2.gz KFMXARHQTWPPFC-CQSZACIVSA-N 0 3 265.401 2.403 20 30 CEEDHN C=CCN1CCC(NC(=O)NC2Cc3ccccc3C2)CC1 ZINC000186575418 368998752 /nfs/dbraw/zinc/99/87/52/368998752.db2.gz HVQFTYJBWBOXMG-UHFFFAOYSA-N 0 3 299.418 2.103 20 30 CEEDHN CCS[C@@H]1CCC[C@H]1NCC(=O)N[C@](C)(C#N)C(C)C ZINC000348475314 369056878 /nfs/dbraw/zinc/05/68/78/369056878.db2.gz DMHDBXZEHODAEH-UMVBOHGHSA-N 0 3 297.468 2.305 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCN(C2CCOCC2)CC1 ZINC000187549290 369177105 /nfs/dbraw/zinc/17/71/05/369177105.db2.gz DLGPJRNSWNAZNU-OAHLLOKOSA-N 0 3 299.418 2.416 20 30 CEEDHN N#Cc1ccc(CNCC[C@H](O)C(F)(F)F)s1 ZINC000349298709 369291639 /nfs/dbraw/zinc/29/16/39/369291639.db2.gz PTYVXRHKCXWRNM-VIFPVBQESA-N 0 3 264.272 2.023 20 30 CEEDHN CCC[C@@H]1CCCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000246547869 370975043 /nfs/dbraw/zinc/97/50/43/370975043.db2.gz MHRFJFZXDTVQIS-ZIAGYGMSSA-N 0 3 265.401 2.259 20 30 CEEDHN COC[C@@H](C)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000189501899 369526892 /nfs/dbraw/zinc/52/68/92/369526892.db2.gz JIQPEGXZJZSKJX-RDJZCZTQSA-N 0 3 287.407 2.151 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@H]1CCCN1CCC ZINC000358279609 370989342 /nfs/dbraw/zinc/98/93/42/370989342.db2.gz SPTUGKVHQKXIKV-CYBMUJFWSA-N 0 3 253.390 2.078 20 30 CEEDHN C[C@H]1CC[C@H](C)N(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000330927145 203395896 /nfs/dbraw/zinc/39/58/96/203395896.db2.gz JTHGZVKFSWVNHJ-KBPBESRZSA-N 0 3 285.391 2.295 20 30 CEEDHN COc1ccc(CN(CC(C)(C)O)C2CC2)cc1C#N ZINC000189911793 369578801 /nfs/dbraw/zinc/57/88/01/369578801.db2.gz SCCHKZJDMJHGEJ-UHFFFAOYSA-N 0 3 274.364 2.302 20 30 CEEDHN C=CCCN(C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000276338079 193291589 /nfs/dbraw/zinc/29/15/89/193291589.db2.gz FTXGSFXCWUANPF-INIZCTEOSA-N 0 3 289.423 2.377 20 30 CEEDHN Cc1c(C(=O)NC2CCN(C3CC3)CC2)nnn1C(C)C ZINC000330261079 291480180 /nfs/dbraw/zinc/48/01/80/291480180.db2.gz TYQUDYUNKAVLKD-UHFFFAOYSA-N 0 3 291.399 2.099 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@@H](C(=O)OC)C1 ZINC000351599622 369642116 /nfs/dbraw/zinc/64/21/16/369642116.db2.gz BLZLQQPUEWIFGY-CQSZACIVSA-N 0 3 275.348 2.246 20 30 CEEDHN C=CCN(CCc1ccccc1)CCN1CCO[C@H](C)C1 ZINC000191464705 369716560 /nfs/dbraw/zinc/71/65/60/369716560.db2.gz BAYJOSPOXNDRMD-QGZVFWFLSA-N 0 3 288.435 2.438 20 30 CEEDHN C=CCN(CCOC)CCC(=O)Nc1ccc(OC)cc1 ZINC000191083074 369675915 /nfs/dbraw/zinc/67/59/15/369675915.db2.gz AYNRPDGJXMLBBY-UHFFFAOYSA-N 0 3 292.379 2.158 20 30 CEEDHN C=CCN(CCOC)CCC(=O)N(C)c1ccccc1 ZINC000191149107 369685362 /nfs/dbraw/zinc/68/53/62/369685362.db2.gz ZDNSDCFIGBAVCT-UHFFFAOYSA-N 0 3 276.380 2.174 20 30 CEEDHN C=CCC1(C(=O)NC[C@H]2CCCN2CC)CCC1 ZINC000191278518 369696761 /nfs/dbraw/zinc/69/67/61/369696761.db2.gz OOLJXJDDDILGET-CYBMUJFWSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CCCN(C)[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000276483084 193349687 /nfs/dbraw/zinc/34/96/87/193349687.db2.gz TUFHBHPNIJKDDJ-GFCCVEGCSA-N 0 3 275.352 2.231 20 30 CEEDHN C=C(C)COCCNCc1ccc(N(C)CC)nc1 ZINC000191335569 369702012 /nfs/dbraw/zinc/70/20/12/369702012.db2.gz NDSHPUUUULZBEX-UHFFFAOYSA-N 0 3 263.385 2.220 20 30 CEEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191889616 369750330 /nfs/dbraw/zinc/75/03/30/369750330.db2.gz BOGRACMWICYHSO-HNNXBMFYSA-N 0 3 284.359 2.476 20 30 CEEDHN CN(CCN1CCCC1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000352499910 369759786 /nfs/dbraw/zinc/75/97/86/369759786.db2.gz IQOVIDDRGJBTGS-UHFFFAOYSA-N 0 3 297.402 2.144 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC(c3ccccc3)C2)CC1 ZINC000636740340 369725632 /nfs/dbraw/zinc/72/56/32/369725632.db2.gz PNMNXDQOSOKEGV-UHFFFAOYSA-N 0 3 299.418 2.446 20 30 CEEDHN N#Cc1csc(CNCCc2c[nH]c3ncccc23)n1 ZINC000352812572 369889516 /nfs/dbraw/zinc/88/95/16/369889516.db2.gz ZPYRPMHJCXLGBO-UHFFFAOYSA-N 0 3 283.360 2.223 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000637322199 369899939 /nfs/dbraw/zinc/89/99/39/369899939.db2.gz SQZJAKDKNOACRH-KBPBESRZSA-N 0 3 279.428 2.324 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000637322200 369900226 /nfs/dbraw/zinc/90/02/26/369900226.db2.gz SQZJAKDKNOACRH-KGLIPLIRSA-N 0 3 279.428 2.324 20 30 CEEDHN C=C(C)CN1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000193493812 369947951 /nfs/dbraw/zinc/94/79/51/369947951.db2.gz DSLFWERBZILMEU-BETUJISGSA-N 0 3 266.385 2.361 20 30 CEEDHN CN(c1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000354086216 370211446 /nfs/dbraw/zinc/21/14/46/370211446.db2.gz NSXLMRNDVLPQSK-CYBMUJFWSA-N 0 3 286.335 2.139 20 30 CEEDHN Cc1nsc(N[C@@H]2CCN3CCCC[C@@H]23)c1C#N ZINC000221472110 370241621 /nfs/dbraw/zinc/24/16/21/370241621.db2.gz NTFFTTBEEQVDPE-NEPJUHHUSA-N 0 3 262.382 2.362 20 30 CEEDHN N#CC[C@H](CC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000355116229 370508737 /nfs/dbraw/zinc/50/87/37/370508737.db2.gz RXPHJTGWQIFZRA-CVEARBPZSA-N 0 3 297.402 2.427 20 30 CEEDHN CCN(C(=O)[C@H](C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000355118430 370510603 /nfs/dbraw/zinc/51/06/03/370510603.db2.gz BKFIALCPVLDIFP-ZBFHGGJFSA-N 0 3 285.391 2.269 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@]1(C)CCO[C@H]1C ZINC000234851743 370545251 /nfs/dbraw/zinc/54/52/51/370545251.db2.gz GIFKCAFLYSZLBL-XHDPSFHLSA-N 0 3 260.337 2.224 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](C)[C@H]1C ZINC000246956477 371036603 /nfs/dbraw/zinc/03/66/03/371036603.db2.gz RIANJFXGNDFYLY-MGPQQGTHSA-N 0 3 265.401 2.115 20 30 CEEDHN CSC[C@H](CCO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358592193 371131492 /nfs/dbraw/zinc/13/14/92/371131492.db2.gz QKHLXPWZEMNCRY-JQWIXIFHSA-N 0 3 282.384 2.462 20 30 CEEDHN C[C@@H](NCC1(C(N)=O)CCCC1)c1ccc(C#N)cc1F ZINC000358565839 371119359 /nfs/dbraw/zinc/11/93/59/371119359.db2.gz ANVZGDRTFVOPHB-LLVKDONJSA-N 0 3 289.354 2.394 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc(C#N)cc1F ZINC000358789197 371222399 /nfs/dbraw/zinc/22/23/99/371222399.db2.gz HOOLFKMXYMHZDN-QWRGUYRKSA-N 0 3 278.327 2.375 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)CCC)CC1 ZINC000358838052 371242016 /nfs/dbraw/zinc/24/20/16/371242016.db2.gz ZJVLJLKEGVSVQO-CYBMUJFWSA-N 0 3 267.417 2.467 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN([C@H](C)C1CC1)C1CC1 ZINC000248761249 371243216 /nfs/dbraw/zinc/24/32/16/371243216.db2.gz MBKABFISDFKGIT-MLGOLLRUSA-N 0 3 277.412 2.304 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@H]1CCc2ncnn21 ZINC000639439967 371323445 /nfs/dbraw/zinc/32/34/45/371323445.db2.gz RISQENWXXYWJQG-OAHLLOKOSA-N 0 3 268.364 2.454 20 30 CEEDHN N#Cc1cc(F)c(NC[C@@H]2CN3CCC[C@H]3CO2)c(F)c1 ZINC000250767985 371390603 /nfs/dbraw/zinc/39/06/03/371390603.db2.gz XTLIXHJYORHNJM-NWDGAFQWSA-N 0 3 293.317 2.112 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1sccc1C#N ZINC000250285164 371382202 /nfs/dbraw/zinc/38/22/02/371382202.db2.gz KGYHLGHUICYOOA-NEPJUHHUSA-N 0 3 291.420 2.470 20 30 CEEDHN C=CCC[C@H](O)CN(C)Cc1c(C)nn(CC)c1C ZINC000639922864 371671903 /nfs/dbraw/zinc/67/19/03/371671903.db2.gz KXQARGNAITWLOB-AWEZNQCLSA-N 0 3 265.401 2.279 20 30 CEEDHN C=CCN1CC[C@H](N2CCC3(CCSCC3)CC2)C1=O ZINC000639983505 371711670 /nfs/dbraw/zinc/71/16/70/371711670.db2.gz VUKQQHMRDSLLHW-AWEZNQCLSA-N 0 3 294.464 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265.353 2.121 20 30 CEEDHN C#CC[C@H](NC(=O)NCCN(C)CC)c1ccccc1 ZINC000270182172 372690373 /nfs/dbraw/zinc/69/03/73/372690373.db2.gz BTIIQAMHQUVGKW-HNNXBMFYSA-N 0 3 273.380 2.002 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cn(-c2cccc(C)c2)nc1C ZINC000641768114 372708680 /nfs/dbraw/zinc/70/86/80/372708680.db2.gz WRGCXXDVDLIUAH-KRWDZBQOSA-N 0 3 297.402 2.353 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cccc(OC(C)C)c1 ZINC000641768775 372709533 /nfs/dbraw/zinc/70/95/33/372709533.db2.gz HRIFHVFBLORCMN-HNNXBMFYSA-N 0 3 261.365 2.338 20 30 CEEDHN CN(CC#Cc1ccc(F)cc1)C[C@@H]1CCC[C@@H]1O ZINC000270227686 372710693 /nfs/dbraw/zinc/71/06/93/372710693.db2.gz ZQWYPVXLJODCGS-HOCLYGCPSA-N 0 3 261.340 2.270 20 30 CEEDHN CC#CC[C@@H](CO)NCc1cnc(-c2ccccn2)s1 ZINC000641769376 372711625 /nfs/dbraw/zinc/71/16/25/372711625.db2.gz UNHMQHNHHCOUKU-LBPRGKRZSA-N 0 3 287.388 2.069 20 30 CEEDHN N#Cc1ccc(CNCCc2ccccc2[N+](=O)[O-])o1 ZINC000344577486 217237240 /nfs/dbraw/zinc/23/72/40/217237240.db2.gz JYMNTMKRDYCRKP-UHFFFAOYSA-N 0 3 271.276 2.392 20 30 CEEDHN CC[C@H](NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(C#N)cc1 ZINC000365494029 372873033 /nfs/dbraw/zinc/87/30/33/372873033.db2.gz PWLQYHOYKYRBDR-KSZLIROESA-N 0 3 299.418 2.462 20 30 CEEDHN C#CCCN1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000365867498 372949356 /nfs/dbraw/zinc/94/93/56/372949356.db2.gz ZGSZOCSZNYGDNM-UHFFFAOYSA-N 0 3 281.359 2.496 20 30 CEEDHN C#CCCCN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000271004230 373059703 /nfs/dbraw/zinc/05/97/03/373059703.db2.gz GUWOTUUOEKFYFE-OAHLLOKOSA-N 0 3 256.349 2.137 20 30 CEEDHN C#CCCCN[C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000271064711 373102210 /nfs/dbraw/zinc/10/22/10/373102210.db2.gz UFWPQSBPZPLLEJ-CQSZACIVSA-N 0 3 264.756 2.044 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000366950453 373129831 /nfs/dbraw/zinc/12/98/31/373129831.db2.gz FBSFTDPRBOQFIG-GJZGRUSLSA-N 0 3 280.412 2.054 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC(C)(C)[C@H]2C2CC2)CC1 ZINC000368190520 373225190 /nfs/dbraw/zinc/22/51/90/373225190.db2.gz OIPNBATWMZFGHO-OAHLLOKOSA-N 0 3 291.439 2.467 20 30 CEEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C1(C#N)CCC1 ZINC000272034782 373273107 /nfs/dbraw/zinc/27/31/07/373273107.db2.gz XEYYYZLGJQRWGV-AWEZNQCLSA-N 0 3 285.391 2.317 20 30 CEEDHN C=CCOc1ccc(CN[C@@H]2CCOC2)cc1OC ZINC000643802366 373269347 /nfs/dbraw/zinc/26/93/47/373269347.db2.gz VAUPMBLCAYXRKQ-CYBMUJFWSA-N 0 3 263.337 2.139 20 30 CEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)C#Cc1ccccc1 ZINC000272217516 373365671 /nfs/dbraw/zinc/36/56/71/373365671.db2.gz SRDVGNQRMSMIDJ-HNNXBMFYSA-N 0 3 284.403 2.227 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H](C)CCn1cccn1 ZINC000272573785 373557347 /nfs/dbraw/zinc/55/73/47/373557347.db2.gz UCYPVZBFKXQRAJ-HNNXBMFYSA-N 0 3 283.375 2.464 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272589416 373565082 /nfs/dbraw/zinc/56/50/82/373565082.db2.gz XBNNBTYPGGUGRM-HIFRSBDPSA-N 0 3 262.397 2.307 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H](C)CCc1ccccc1F ZINC000272856581 373683279 /nfs/dbraw/zinc/68/32/79/373683279.db2.gz LYLLBTIJVFJSRY-CYBMUJFWSA-N 0 3 299.411 2.337 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000644794943 373687339 /nfs/dbraw/zinc/68/73/39/373687339.db2.gz ROCNDZPWHITQMF-CYBMUJFWSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H](C)c1sccc1C ZINC000272870038 373688085 /nfs/dbraw/zinc/68/80/85/373688085.db2.gz OPEZPYLUKWZTTC-LLVKDONJSA-N 0 3 273.423 2.308 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H](C)CCc1cccc(F)c1 ZINC000272873978 373689855 /nfs/dbraw/zinc/68/98/55/373689855.db2.gz PEXVCFCIWIOFKU-CYBMUJFWSA-N 0 3 299.411 2.337 20 30 CEEDHN N#Cc1c(NCCN2CCCCC2)nc2ccccn12 ZINC000272899680 373701060 /nfs/dbraw/zinc/70/10/60/373701060.db2.gz LNUQOLOCLPQGJZ-UHFFFAOYSA-N 0 3 269.352 2.104 20 30 CEEDHN C#CCN(C[C@H](O)Cn1cnc2cc(C)c(C)cc21)C1CC1 ZINC000274112975 373814802 /nfs/dbraw/zinc/81/48/02/373814802.db2.gz FSQRSIADEOLVDR-INIZCTEOSA-N 0 3 297.402 2.112 20 30 CEEDHN N#Cc1cnc(N[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000274058673 373797956 /nfs/dbraw/zinc/79/79/56/373797956.db2.gz ORLNATCCOUVFIJ-CQSZACIVSA-N 0 3 279.347 2.035 20 30 CEEDHN N#CCCCN1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000371446531 373884777 /nfs/dbraw/zinc/88/47/77/373884777.db2.gz DZGSGVBBCZTWRQ-CQSZACIVSA-N 0 3 275.396 2.015 20 30 CEEDHN N#Cc1ccc2ncc(CN3CC[C@H]([C@@H]4CCOC4)C3)n2c1 ZINC000371333099 373847189 /nfs/dbraw/zinc/84/71/89/373847189.db2.gz SNRDWMAKBXVCFO-LSDHHAIUSA-N 0 3 296.374 2.064 20 30 CEEDHN N#Cc1ccc2ncc(CN3CC[C@@H]([C@H]4CCOC4)C3)n2c1 ZINC000371333094 373847325 /nfs/dbraw/zinc/84/73/25/373847325.db2.gz SNRDWMAKBXVCFO-CABCVRRESA-N 0 3 296.374 2.064 20 30 CEEDHN C[C@H](CCN1CCN(C)CC1)Nc1ccc(C#N)cc1F ZINC000274513083 373946955 /nfs/dbraw/zinc/94/69/55/373946955.db2.gz VBPKAQOFDYQMCB-CYBMUJFWSA-N 0 3 290.386 2.135 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCS[C@H]2C)CC1 ZINC000645212612 373923487 /nfs/dbraw/zinc/92/34/87/373923487.db2.gz NJXODTCDICSEOM-JSGCOSHPSA-N 0 3 297.468 2.220 20 30 CEEDHN C=CCC[C@@H](O)CN1CCCC[C@H]1Cn1nc(C)nc1C ZINC000372019071 374023849 /nfs/dbraw/zinc/02/38/49/374023849.db2.gz QGSZSNOKPIVLGI-JKSUJKDBSA-N 0 3 292.427 2.077 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@H](CO)CC(F)F)CC2 ZINC000353677362 220250669 /nfs/dbraw/zinc/25/06/69/220250669.db2.gz ZAGKGMAOFZRADI-WCQYABFASA-N 0 3 266.291 2.151 20 30 CEEDHN COC(=O)[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000274991626 374118212 /nfs/dbraw/zinc/11/82/12/374118212.db2.gz BKQKAIUUKHMNPM-BXUZGUMPSA-N 0 3 258.321 2.114 20 30 CEEDHN N#Cc1ccccc1CN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000372304711 374093356 /nfs/dbraw/zinc/09/33/56/374093356.db2.gz IBTMEQAXRNMAEA-ROUUACIJSA-N 0 3 299.418 2.291 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@@H](O)CSC ZINC000275141734 374165522 /nfs/dbraw/zinc/16/55/22/374165522.db2.gz DSDIPUCUHPZURH-GFCCVEGCSA-N 0 3 255.383 2.034 20 30 CEEDHN CC(C)CSCCNCc1cc(C#N)n(C)c1 ZINC000276639871 374247949 /nfs/dbraw/zinc/24/79/49/374247949.db2.gz QKORBBLLTFXQNI-UHFFFAOYSA-N 0 3 251.399 2.376 20 30 CEEDHN CCCN1CCCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000374003148 374465928 /nfs/dbraw/zinc/46/59/28/374465928.db2.gz YCJYLJGQCAWMRG-UHFFFAOYSA-N 0 3 271.364 2.116 20 30 CEEDHN N#CCCCN1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000374556232 374599703 /nfs/dbraw/zinc/59/97/03/374599703.db2.gz KDYLPPDPMSCJEB-ZDUSSCGKSA-N 0 3 275.352 2.025 20 30 CEEDHN N#CCSCCCN1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374880434 374633517 /nfs/dbraw/zinc/63/35/17/374633517.db2.gz TZQKDZRNKLDQDG-OAHLLOKOSA-N 0 3 294.395 2.366 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCC2(CCOCC2)[C@@H]1C ZINC000375240363 374646903 /nfs/dbraw/zinc/64/69/03/374646903.db2.gz IHBMNKZGFNRRAJ-HNNXBMFYSA-N 0 3 292.423 2.078 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@](C)(O)CC1 ZINC000376674388 374716403 /nfs/dbraw/zinc/71/64/03/374716403.db2.gz UTEXMAUCLDWTJY-INIZCTEOSA-N 0 3 274.364 2.304 20 30 CEEDHN C[C@@H]1[C@H](Nc2ccncc2C#N)CCN1Cc1ccccc1 ZINC000377135443 374797795 /nfs/dbraw/zinc/79/77/95/374797795.db2.gz CGZGYHLKOWILHH-RHSMWYFYSA-N 0 3 292.386 2.450 20 30 CEEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H]2CCC[C@H]2C)c(C#N)c1C ZINC000279363002 374849569 /nfs/dbraw/zinc/84/95/69/374849569.db2.gz WJSJPPBRAGWGOT-NOZJJQNGSA-N 0 3 275.352 2.485 20 30 CEEDHN CC(C)[C@]1(CO)CCN(Cc2ccc(C#N)s2)C1 ZINC000378125914 375024327 /nfs/dbraw/zinc/02/43/27/375024327.db2.gz BZUKQMGRMHUWDT-CQSZACIVSA-N 0 3 264.394 2.460 20 30 CEEDHN N#Cc1ccc(CNCCN2CC=CCC2)c(F)c1 ZINC000279915955 375029711 /nfs/dbraw/zinc/02/97/11/375029711.db2.gz XAFMFMLMPAGRIR-UHFFFAOYSA-N 0 3 259.328 2.049 20 30 CEEDHN C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccc(C#N)cc1 ZINC000378455621 375105162 /nfs/dbraw/zinc/10/51/62/375105162.db2.gz RQNWKDFZEFEFQV-YXAMBPQSSA-N 0 3 283.375 2.218 20 30 CEEDHN CC[C@H]1[C@@H](CO)CCN1Cc1cc(C#N)ccc1OC ZINC000385623508 375236097 /nfs/dbraw/zinc/23/60/97/375236097.db2.gz HOFIPYWSIWMPTP-HIFRSBDPSA-N 0 3 274.364 2.160 20 30 CEEDHN C=CCNC(=O)CN1CC[C@H](c2ccc(C)cc2C)C1 ZINC000280390607 375192779 /nfs/dbraw/zinc/19/27/79/375192779.db2.gz KHHMKCZCIWBZAZ-HNNXBMFYSA-N 0 3 272.392 2.395 20 30 CEEDHN CC1(C)CN(CCCOc2cccc(C#N)c2)C[C@@H]1O ZINC000388139270 375283004 /nfs/dbraw/zinc/28/30/04/375283004.db2.gz CYWSXRSTMXAQPU-HNNXBMFYSA-N 0 3 274.364 2.030 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000280719060 375295493 /nfs/dbraw/zinc/29/54/93/375295493.db2.gz UTGPKOLBQUXOJL-CYBMUJFWSA-N 0 3 287.363 2.160 20 30 CEEDHN C[S@](=O)C1(CNCc2ccc(C#N)s2)CCC1 ZINC000280740516 375303903 /nfs/dbraw/zinc/30/39/03/375303903.db2.gz WTASQDURWALIAZ-KRWDZBQOSA-N 0 3 268.407 2.011 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cc(C#N)ncn1 ZINC000389937822 375309774 /nfs/dbraw/zinc/30/97/74/375309774.db2.gz NQWLFNBOIRUIKY-CJNGLKHVSA-N 0 3 293.374 2.281 20 30 CEEDHN COc1cc(CN[C@@H]2COC(C)(C)C2)ccc1C#N ZINC000396529906 375335494 /nfs/dbraw/zinc/33/54/94/375335494.db2.gz JXVJIZQDKPMXCZ-ZDUSSCGKSA-N 0 3 260.337 2.224 20 30 CEEDHN C=CC[C@@H](CC)N[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000281377180 375375097 /nfs/dbraw/zinc/37/50/97/375375097.db2.gz YPXKDDFSEMIOGJ-KGLIPLIRSA-N 0 3 264.344 2.166 20 30 CEEDHN COC(=O)C[C@H]1CCCN1Cc1ccc(C#N)c(OC)c1 ZINC000282300292 375451752 /nfs/dbraw/zinc/45/17/52/375451752.db2.gz MHYSSASQUBUQNC-CQSZACIVSA-N 0 3 288.347 2.094 20 30 CEEDHN COCCCN1CCC(Nc2snc(C)c2C#N)CC1 ZINC000283766173 375758145 /nfs/dbraw/zinc/75/81/45/375758145.db2.gz NYLFAJUUISFZIR-UHFFFAOYSA-N 0 3 294.424 2.236 20 30 CEEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1ccccc1C#N ZINC000286554555 375992296 /nfs/dbraw/zinc/99/22/96/375992296.db2.gz OSVYINHKXBSKPB-SMLCLMEVSA-N 0 3 268.360 2.413 20 30 CEEDHN C=CC1CCN(C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418446265 376314723 /nfs/dbraw/zinc/31/47/23/376314723.db2.gz HWYHRDNIXPTMOQ-HNNXBMFYSA-N 0 3 273.380 2.294 20 30 CEEDHN C=C(C)CNC(=O)NC[C@H](N)c1ccccc1CC ZINC000418648393 376317458 /nfs/dbraw/zinc/31/74/58/376317458.db2.gz HULWVHYELHOAMH-AWEZNQCLSA-N 0 3 261.369 2.124 20 30 CEEDHN C=C(C)CCN1C(=O)[C@H]2CN(Cc3ccccc3)C[C@H]2C1=O ZINC000419057781 376381941 /nfs/dbraw/zinc/38/19/41/376381941.db2.gz AHSIKAGPRPAJHF-IYBDPMFKSA-N 0 3 298.386 2.070 20 30 CEEDHN C[C@H]1C[C@@H](CO)CCN1CCOc1cccc(C#N)c1 ZINC000288763898 376383336 /nfs/dbraw/zinc/38/33/36/376383336.db2.gz HQFKVDNSFNOPII-ZFWWWQNUSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCC1(C#N)CCC1 ZINC000419433668 376453560 /nfs/dbraw/zinc/45/35/60/376453560.db2.gz IOJUOZXILDKIRB-KBPBESRZSA-N 0 3 292.427 2.100 20 30 CEEDHN Cc1nc([C@H]2CCN(Cc3cccc(C#N)c3F)C2)n[nH]1 ZINC000556815599 376496072 /nfs/dbraw/zinc/49/60/72/376496072.db2.gz YTAUDXWDLSLPAI-ZDUSSCGKSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1n[nH]c([C@H]2CCN(Cc3cccc(C#N)c3F)C2)n1 ZINC000556815599 376496080 /nfs/dbraw/zinc/49/60/80/376496080.db2.gz YTAUDXWDLSLPAI-ZDUSSCGKSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1nnc([C@H]2CCN(Cc3cccc(C#N)c3F)C2)[nH]1 ZINC000556815599 376496089 /nfs/dbraw/zinc/49/60/89/376496089.db2.gz YTAUDXWDLSLPAI-ZDUSSCGKSA-N 0 3 285.326 2.113 20 30 CEEDHN C[C@H](NC[C@@]1(O)CCSC1)c1ccc(C#N)cc1F ZINC000305805160 376496791 /nfs/dbraw/zinc/49/67/91/376496791.db2.gz GAMQURLRDOSGBZ-HZMBPMFUSA-N 0 3 280.368 2.216 20 30 CEEDHN C[C@@H]1[C@H](Nc2cc(C#N)ncn2)CCN1Cc1ccccc1 ZINC000309751696 376604412 /nfs/dbraw/zinc/60/44/12/376604412.db2.gz WAUDWBQHSQMOCO-CZUORRHYSA-N 0 3 293.374 2.423 20 30 CEEDHN C=CCN1CCC(NC(=O)C2=Cc3ccccc3OC2)CC1 ZINC000264470092 190112190 /nfs/dbraw/zinc/11/21/90/190112190.db2.gz IPAOHEYVVZTNIR-UHFFFAOYSA-N 0 3 298.386 2.229 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000264485693 190113162 /nfs/dbraw/zinc/11/31/62/190113162.db2.gz MNJIHWUKXLYLOG-BQYQJAHWSA-N 0 3 295.386 2.338 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)[C@@H]1CCCN1C ZINC000264628580 190123975 /nfs/dbraw/zinc/12/39/75/190123975.db2.gz NKJRFLHQDBSGNM-INIZCTEOSA-N 0 3 272.392 2.338 20 30 CEEDHN N#Cc1csc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)c1 ZINC000560630142 376773348 /nfs/dbraw/zinc/77/33/48/376773348.db2.gz SESUWGFOQXKION-HUUCEWRRSA-N 0 3 292.404 2.029 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn2c(n1)CCCC2 ZINC000328705286 376882684 /nfs/dbraw/zinc/88/26/84/376882684.db2.gz LBUVVIWQKDTWMJ-YPMHNXCESA-N 0 3 288.395 2.007 20 30 CEEDHN CCn1cnnc1[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000328720271 376885680 /nfs/dbraw/zinc/88/56/80/376885680.db2.gz GQRHVXVNQNTZRJ-MGPQQGTHSA-N 0 3 273.384 2.170 20 30 CEEDHN C[C@]1(CO)CCC[C@H]1NC(=O)C1CCN(C2CC2)CC1 ZINC000328739729 376890021 /nfs/dbraw/zinc/89/00/21/376890021.db2.gz ICSTZSNFAVVBNA-GDBMZVCRSA-N 0 3 280.412 2.368 20 30 CEEDHN CN1CCC[C@H]1CNC(=O)Nc1scnc1C1CC1 ZINC000328934441 376922583 /nfs/dbraw/zinc/92/25/83/376922583.db2.gz QAKOXWHJPDQEET-JTQLQIEISA-N 0 3 280.397 2.441 20 30 CEEDHN C[C@H](NC(=O)C[C@@](C)(O)C1CC1)C1=CCN(C)CC1 ZINC000329322564 376944059 /nfs/dbraw/zinc/94/40/59/376944059.db2.gz UVLCULIFMWZUAD-XHDPSFHLSA-N 0 3 266.385 2.144 20 30 CEEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N[C@@H]1CCCc2occc21 ZINC000329321319 376944801 /nfs/dbraw/zinc/94/48/01/376944801.db2.gz UKAWLVJTVLEAGS-BXUZGUMPSA-N 0 3 289.379 2.397 20 30 CEEDHN CC[C@@]1(C)CCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000563154755 377108563 /nfs/dbraw/zinc/10/85/63/377108563.db2.gz WGKXXXCCURGZCG-HNNXBMFYSA-N 0 3 269.352 2.223 20 30 CEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccc(C#N)cn2)C1 ZINC000291271223 377151050 /nfs/dbraw/zinc/15/10/50/377151050.db2.gz HFBIIOYWBYSIGL-HNNXBMFYSA-N 0 3 290.342 2.104 20 30 CEEDHN COCCN1CC[C@H](NC(=O)N[C@@H]2CCCCC2(C)C)C1 ZINC000330989946 377226766 /nfs/dbraw/zinc/22/67/66/377226766.db2.gz SDTNCYRPVALQBT-UONOGXRCSA-N 0 3 297.443 2.180 20 30 CEEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000264863050 190139826 /nfs/dbraw/zinc/13/98/26/190139826.db2.gz MSNBOJQIBZCLIN-SNVBAGLBSA-N 0 3 282.746 2.269 20 30 CEEDHN C=CCOc1ccc(CN(CC)[C@H](C)CO)cc1OC ZINC000292699715 377261816 /nfs/dbraw/zinc/26/18/16/377261816.db2.gz CFTLKRUKAMHZRM-CYBMUJFWSA-N 0 3 279.380 2.463 20 30 CEEDHN C=CCOCCN[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000292714270 377265572 /nfs/dbraw/zinc/26/55/72/377265572.db2.gz ADWMSOLALKDZEY-INIZCTEOSA-N 0 3 288.391 2.142 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H]1CCC[C@@]1(C)CO ZINC000331177120 377315209 /nfs/dbraw/zinc/31/52/09/377315209.db2.gz PXPRRNCXPFHOSU-CVEARBPZSA-N 0 3 274.364 2.208 20 30 CEEDHN CCOc1nccc(C)c1C(=O)NC[C@H]1CCN(C)C1 ZINC000331205798 377325876 /nfs/dbraw/zinc/32/58/76/377325876.db2.gz DFMSAPTZUUVJFC-GFCCVEGCSA-N 0 3 277.368 2.045 20 30 CEEDHN C[C@@H]1[C@@H](Nc2ncc3c(c2C#N)CCC3)CCCN1C ZINC000425245030 377336677 /nfs/dbraw/zinc/33/66/77/377336677.db2.gz IIJXCGKKWNXLCU-ABAIWWIYSA-N 0 3 270.380 2.337 20 30 CEEDHN CCOCC[C@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425536903 377370262 /nfs/dbraw/zinc/37/02/62/377370262.db2.gz POFJPGSKPHSYPX-BBRMVZONSA-N 0 3 276.380 2.339 20 30 CEEDHN C[C@@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)N(C)C ZINC000425592533 377376108 /nfs/dbraw/zinc/37/61/08/377376108.db2.gz VBZQXGUJWJEBBL-STQMWFEESA-N 0 3 288.395 2.211 20 30 CEEDHN CC(C)CCN(CCC#N)C(=O)CN1CC[C@H](C)C1 ZINC000564466394 377396174 /nfs/dbraw/zinc/39/61/74/377396174.db2.gz NWPNRZTWFIOLQJ-AWEZNQCLSA-N 0 3 265.401 2.117 20 30 CEEDHN N#Cc1ccc(CN2CCN(C3CCC3)CC2)cc1 ZINC000264969321 190148274 /nfs/dbraw/zinc/14/82/74/190148274.db2.gz HUXHZRSGFOJAAS-UHFFFAOYSA-N 0 3 255.365 2.228 20 30 CEEDHN N#CCCNCCC1CCN(CC(F)(F)F)CC1 ZINC000564850057 377478054 /nfs/dbraw/zinc/47/80/54/377478054.db2.gz PDSNKDAEZORCFC-UHFFFAOYSA-N 0 3 263.307 2.154 20 30 CEEDHN C=CCC(C)(C)C(=O)NCCN1CCC(C)CC1 ZINC000429838852 377521789 /nfs/dbraw/zinc/52/17/89/377521789.db2.gz JVVZMKOKHREOQT-UHFFFAOYSA-N 0 3 252.402 2.437 20 30 CEEDHN C#CCCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000265099123 190157887 /nfs/dbraw/zinc/15/78/87/190157887.db2.gz SQGPXXVDSZGZNU-QGZVFWFLSA-N 0 3 299.418 2.454 20 30 CEEDHN C=CCOc1ccc(CNC[C@@H](O)C2CC2)cc1OC ZINC000265291340 190172732 /nfs/dbraw/zinc/17/27/32/190172732.db2.gz ZQUKDIUTZSJPFH-CQSZACIVSA-N 0 3 277.364 2.121 20 30 CEEDHN CN1CC=C(CNc2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000274291832 249353999 /nfs/dbraw/zinc/35/39/99/249353999.db2.gz ZCCQNJWRUHNNBL-UHFFFAOYSA-N 0 3 272.308 2.140 20 30 CEEDHN CN(C)CCN(C(=O)NCC1(CC#N)CC1)C1CCCC1 ZINC000431210059 377617740 /nfs/dbraw/zinc/61/77/40/377617740.db2.gz RCOSRRUFBLYYSF-UHFFFAOYSA-N 0 3 292.427 2.196 20 30 CEEDHN C=C(CC)CN[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000431989079 377699081 /nfs/dbraw/zinc/69/90/81/377699081.db2.gz YKNJVMYNKZPTLA-ZFWWWQNUSA-N 0 3 263.385 2.423 20 30 CEEDHN CC(C)(C)CCN1CCN(C(=O)NCC2(C#N)CC2)CC1 ZINC000565811460 377699523 /nfs/dbraw/zinc/69/95/23/377699523.db2.gz PQPAOJLBJBPLRR-UHFFFAOYSA-N 0 3 292.427 2.054 20 30 CEEDHN Cc1cccc(N2CCN(CCCNCCC#N)CC2)c1 ZINC000566106571 377726953 /nfs/dbraw/zinc/72/69/53/377726953.db2.gz UHFLDWRDSKMYRX-UHFFFAOYSA-N 0 3 286.423 2.010 20 30 CEEDHN N#CCN(C(=O)[C@@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000566436023 377760295 /nfs/dbraw/zinc/76/02/95/377760295.db2.gz WYHWZAMAIQPEPM-OAHLLOKOSA-N 0 3 283.375 2.023 20 30 CEEDHN C=C(C)CS(=O)(=O)NC[C@@H]1CCCCN1CCCC ZINC000435434426 377804222 /nfs/dbraw/zinc/80/42/22/377804222.db2.gz YAVZITRLFRZOIS-AWEZNQCLSA-N 0 3 288.457 2.137 20 30 CEEDHN C=C(C)CS(=O)(=O)NC[C@H]1CCCCN1CCCC ZINC000435434427 377804604 /nfs/dbraw/zinc/80/46/04/377804604.db2.gz YAVZITRLFRZOIS-CQSZACIVSA-N 0 3 288.457 2.137 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccoc1C(=O)OC ZINC000437252302 377839851 /nfs/dbraw/zinc/83/98/51/377839851.db2.gz FDVMLJIZGKCNDD-WCQYABFASA-N 0 3 279.336 2.137 20 30 CEEDHN CC(C#N)C(=O)N1CCC(OCC2CCCC2)CC1 ZINC000434376495 377798456 /nfs/dbraw/zinc/79/84/56/377798456.db2.gz DWJOMAGCDXGJCW-GFCCVEGCSA-N 0 3 264.369 2.344 20 30 CEEDHN CCOc1ccc([C@@H]2C[C@H]2NC(=O)C(C)C#N)cc1 ZINC000437198744 377839380 /nfs/dbraw/zinc/83/93/80/377839380.db2.gz AVPCSOUICQPGEF-DDTOSNHZSA-N 0 3 258.321 2.217 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](CC)N(CC)CC ZINC000437520010 377846872 /nfs/dbraw/zinc/84/68/72/377846872.db2.gz BABHNOPPKHHQJI-ILXRZTDVSA-N 0 3 282.428 2.204 20 30 CEEDHN CC[C@H](CNC(=O)C(C)C#N)Oc1cccc(F)c1 ZINC000439895531 377929027 /nfs/dbraw/zinc/92/90/27/377929027.db2.gz ASGYJXOESILPLN-CMPLNLGQSA-N 0 3 264.300 2.259 20 30 CEEDHN CC(C)(C)OC(=O)CN[C@@]1(C)CCN(CCCCC#N)C1 ZINC000440506980 377930333 /nfs/dbraw/zinc/93/03/33/377930333.db2.gz KNNQDQJBDFSYMR-INIZCTEOSA-N 0 3 295.427 2.076 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1CCOC1(C)C ZINC000294695589 378014033 /nfs/dbraw/zinc/01/40/33/378014033.db2.gz ITDCBIYPYVXUPR-OAHLLOKOSA-N 0 3 259.349 2.356 20 30 CEEDHN COC[C@]1(C)CCN(CCOc2ccccc2C#N)C1 ZINC000294326812 377981549 /nfs/dbraw/zinc/98/15/49/377981549.db2.gz XFZXZRZWXMMOJF-MRXNPFEDSA-N 0 3 274.364 2.295 20 30 CEEDHN C[C@@H](NCC1([S@](C)=O)CC1)c1ccc(C#N)cc1F ZINC000442802517 377999378 /nfs/dbraw/zinc/99/93/78/377999378.db2.gz PWKFIZNYQGCKMQ-DGIBIBHMSA-N 0 3 280.368 2.259 20 30 CEEDHN C=CC[C@@H]1N(CC(=O)NCCOCC)CCCC1(C)C ZINC000444785636 378079630 /nfs/dbraw/zinc/07/96/30/378079630.db2.gz YVWMQVRTOLOZGA-AWEZNQCLSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCCCCCSc1nnnn1CCN(C)C ZINC000447284095 378098409 /nfs/dbraw/zinc/09/84/09/378098409.db2.gz CCWRIPHBLUHTCS-UHFFFAOYSA-N 0 3 269.418 2.073 20 30 CEEDHN CCCCN(C)CCNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000448963255 378194755 /nfs/dbraw/zinc/19/47/55/378194755.db2.gz VHSPWCFNLPKIHV-MRXNPFEDSA-N 0 3 277.412 2.309 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000448977257 378196184 /nfs/dbraw/zinc/19/61/84/378196184.db2.gz RDTAQXWZQJINAC-CVEARBPZSA-N 0 3 294.439 2.156 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(OC)c(OC)cc1OC ZINC000449517007 378215345 /nfs/dbraw/zinc/21/53/45/378215345.db2.gz DHHCWMISKQTTJW-OLZOCXBDSA-N 0 3 293.363 2.146 20 30 CEEDHN C[C@@H]1C[C@]1(C#N)C(=O)Nc1cccc(CN(C)C)c1 ZINC000448686903 378178815 /nfs/dbraw/zinc/17/88/15/378178815.db2.gz NOPAQPVCPWKBCU-IAQYHMDHSA-N 0 3 257.337 2.236 20 30 CEEDHN C[C@@H](CO)[C@@H](C)NCc1ccc(C#N)cc1Br ZINC000295821527 378318115 /nfs/dbraw/zinc/31/81/15/378318115.db2.gz VGKHKSJQQIXMTL-VHSXEESVSA-N 0 3 297.196 2.427 20 30 CEEDHN CC(C)(C)CN(CCC#N)C[C@@H]1CCNC(=O)CC1 ZINC000450428125 378411397 /nfs/dbraw/zinc/41/13/97/378411397.db2.gz GYIGRUXWMSQNIT-ZDUSSCGKSA-N 0 3 265.401 2.164 20 30 CEEDHN CC[C@H](C)N1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC000296116213 378423388 /nfs/dbraw/zinc/42/33/88/378423388.db2.gz VPXSHBSQGMXDDL-LBPRGKRZSA-N 0 3 258.369 2.182 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCc2cc(C)ccc21 ZINC000297457166 378684987 /nfs/dbraw/zinc/68/49/87/378684987.db2.gz KKVPYWSMLSDWSR-UHFFFAOYSA-N 0 3 285.391 2.022 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)/C=C/c2ccccc2C#N)C1 ZINC000298498201 378747130 /nfs/dbraw/zinc/74/71/30/378747130.db2.gz MKRXBUVPUWMTSW-HVHJFMEUSA-N 0 3 297.402 2.420 20 30 CEEDHN C[C@H](CN1CCC[C@H](C)C1)Nc1ncccc1C#N ZINC000299068608 378890179 /nfs/dbraw/zinc/89/01/79/378890179.db2.gz APYRQYAWEDCGGO-QWHCGFSZSA-N 0 3 258.369 2.486 20 30 CEEDHN C[C@H](N[C@H]1CSC[C@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000507209672 379100809 /nfs/dbraw/zinc/10/08/09/379100809.db2.gz IXHVQCAOHDBNKX-SUNKGSAMSA-N 0 3 289.404 2.226 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(F)c(C#N)c1 ZINC000278724571 194123132 /nfs/dbraw/zinc/12/31/32/194123132.db2.gz TWQGZCIVMFJVBW-LBPRGKRZSA-N 0 3 289.354 2.302 20 30 CEEDHN CCC[C@@]1(NCC(=O)Nc2ccc(C#N)cc2)CCOC1 ZINC000352832051 220264609 /nfs/dbraw/zinc/26/46/09/220264609.db2.gz NWZZKCUAGYLDCA-MRXNPFEDSA-N 0 3 287.363 2.046 20 30 CEEDHN C#CC[C@@H](NC[C@@H](O)CCOCC)c1ccccc1 ZINC000278859624 194186603 /nfs/dbraw/zinc/18/66/03/194186603.db2.gz RZCRHOVLVDDVIG-JKSUJKDBSA-N 0 3 261.365 2.128 20 30 CEEDHN C=CCNC(=O)CNc1ccnc2ccc(C)cc21 ZINC000302215380 379330832 /nfs/dbraw/zinc/33/08/32/379330832.db2.gz IVQNLPWQQPRARX-UHFFFAOYSA-N 0 3 255.321 2.257 20 30 CEEDHN C=CCN1CCC(Nc2ncncc2Cl)CC1 ZINC000302651969 379413176 /nfs/dbraw/zinc/41/31/76/379413176.db2.gz NEQOZUGJBKXHCK-UHFFFAOYSA-N 0 3 252.749 2.192 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCN(c2ncc[nH]2)CC1 ZINC000520833184 379508506 /nfs/dbraw/zinc/50/85/06/379508506.db2.gz NUSQLBQGIOUVMN-CYBMUJFWSA-N 0 3 281.363 2.165 20 30 CEEDHN CCN1CC[C@H](N(C)C(=O)C#Cc2ccccc2)[C@@H](C)C1 ZINC000267073193 190301828 /nfs/dbraw/zinc/30/18/28/190301828.db2.gz IFZPCDWTZGGKPC-RDJZCZTQSA-N 0 3 284.403 2.227 20 30 CEEDHN COC(C)(C)CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000527318044 379749097 /nfs/dbraw/zinc/74/90/97/379749097.db2.gz YACPDCWHWWQJQS-HNNXBMFYSA-N 0 3 299.374 2.124 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)C[C@H]1CCC[C@@H]1O ZINC000305356457 379709188 /nfs/dbraw/zinc/70/91/88/379709188.db2.gz SACXBKGKUDAVMT-HIFRSBDPSA-N 0 3 274.364 2.160 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCC23CC3)CC1 ZINC000528450610 379973034 /nfs/dbraw/zinc/97/30/34/379973034.db2.gz VVVUHRUMTMJZAJ-AWEZNQCLSA-N 0 3 262.397 2.333 20 30 CEEDHN CN(C)Cc1ccccc1C(=O)NCC1(CC#N)CC1 ZINC000487581378 380087235 /nfs/dbraw/zinc/08/72/35/380087235.db2.gz FQNNWPWYAHQBSH-UHFFFAOYSA-N 0 3 271.364 2.172 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCC#Cc1ccccc1 ZINC000267955123 190364878 /nfs/dbraw/zinc/36/48/78/190364878.db2.gz CDRKGMLWPPNFBH-NVXWUHKLSA-N 0 3 299.418 2.020 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2cnn(C3CC3)c2)nc(C)n1 ZINC000528921530 380137048 /nfs/dbraw/zinc/13/70/48/380137048.db2.gz ZMIIJIRRDNQSRP-ZDUSSCGKSA-N 0 3 281.319 2.115 20 30 CEEDHN C[C@H]1C[C@H]1N1CCN(c2ncccc2C#N)C[C@@H](C)C1 ZINC000488719416 380123329 /nfs/dbraw/zinc/12/33/29/380123329.db2.gz YCLVYCXEXCBQNH-KCQAQPDRSA-N 0 3 270.380 2.120 20 30 CEEDHN COC(=O)CC1(NCC2(C#N)CC2)CCCCC1 ZINC000540548608 380253503 /nfs/dbraw/zinc/25/35/03/380253503.db2.gz ZXQLKWHJUGWKBZ-UHFFFAOYSA-N 0 3 250.342 2.146 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Cc2cccc(C#N)c2)CC1 ZINC000531151515 380207678 /nfs/dbraw/zinc/20/76/78/380207678.db2.gz DVUGQTHXLXCMCL-UHFFFAOYSA-N 0 3 297.402 2.257 20 30 CEEDHN C[C@H](C#N)CNC1CCN(C(=O)CC(C)(C)C)CC1 ZINC000541763647 380281781 /nfs/dbraw/zinc/28/17/81/380281781.db2.gz RDCVKTSGWHTSSD-GFCCVEGCSA-N 0 3 265.401 2.163 20 30 CEEDHN COC[C@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)C(C)C ZINC000544414551 380352095 /nfs/dbraw/zinc/35/20/95/380352095.db2.gz BEMHUVXQUSNCFH-DOMZBBRYSA-N 0 3 289.379 2.146 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000544585242 380358054 /nfs/dbraw/zinc/35/80/54/380358054.db2.gz QHYMHEPBBZVLMT-SWHYSGLUSA-N 0 3 276.311 2.322 20 30 CEEDHN CN(C)[C@H](CNc1ccncc1C#N)c1ccc(F)cc1 ZINC000545947678 380398255 /nfs/dbraw/zinc/39/82/55/380398255.db2.gz BMDVDRPPOOGNLB-MRXNPFEDSA-N 0 3 284.338 2.229 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Cc1cccc(C#N)c1 ZINC000548404559 380512202 /nfs/dbraw/zinc/51/22/02/380512202.db2.gz QBZMTVUGJNSUGW-MRXNPFEDSA-N 0 3 299.418 2.337 20 30 CEEDHN C[C@H](CNC(=O)c1ccc(C#N)c(Cl)c1)N1CCCC1 ZINC000548645967 380543141 /nfs/dbraw/zinc/54/31/41/380543141.db2.gz MQYBSQPYBPDNIO-LLVKDONJSA-N 0 3 291.782 2.426 20 30 CEEDHN C[C@@H](NC(=O)CN1CC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000548829996 380568029 /nfs/dbraw/zinc/56/80/29/380568029.db2.gz OIZNIRYCVPOOHR-QWHCGFSZSA-N 0 3 271.364 2.077 20 30 CEEDHN CN(C)CCN(Cc1cccc(F)c1)c1cncc(C#N)n1 ZINC000420598839 269685215 /nfs/dbraw/zinc/68/52/15/269685215.db2.gz KHQFUBMXGDFKGO-UHFFFAOYSA-N 0 3 299.353 2.056 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)CCc1ccc(C#N)cc1 ZINC000103452612 269686413 /nfs/dbraw/zinc/68/64/13/269686413.db2.gz IKVVJPVSODGBBD-UHFFFAOYSA-N 0 3 299.418 2.291 20 30 CEEDHN C#CCCN1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000494113460 381154468 /nfs/dbraw/zinc/15/44/68/381154468.db2.gz MXQZWKHTXVFSAC-ZDUSSCGKSA-N 0 3 266.385 2.246 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCCOC1 ZINC000494239813 381155742 /nfs/dbraw/zinc/15/57/42/381155742.db2.gz ZZTSHVQHGOFOJW-GJZGRUSLSA-N 0 3 272.348 2.054 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCCOC1 ZINC000494239812 381156807 /nfs/dbraw/zinc/15/68/07/381156807.db2.gz ZZTSHVQHGOFOJW-CABCVRRESA-N 0 3 272.348 2.054 20 30 CEEDHN C=CCN1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494954128 381164309 /nfs/dbraw/zinc/16/43/09/381164309.db2.gz PMLQFGIVNKZNHY-VXGBXAGGSA-N 0 3 254.374 2.408 20 30 CEEDHN C=CCC[C@@H](O)CN1CCCC[C@H]1COC(=O)NCCC ZINC000495642826 381179898 /nfs/dbraw/zinc/17/98/98/381179898.db2.gz UZHPOHTXGKOCQA-LSDHHAIUSA-N 0 3 298.427 2.304 20 30 CEEDHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000495733182 381184176 /nfs/dbraw/zinc/18/41/76/381184176.db2.gz ZJVXNCHTQBMPIR-YNEHKIRRSA-N 0 3 279.384 2.278 20 30 CEEDHN CC(=N[N-]c1[nH+]ccn1C)c1cccc(N2CCOC2=O)c1 ZINC000496008202 381194186 /nfs/dbraw/zinc/19/41/86/381194186.db2.gz SZGVZGLSADRFID-UHFFFAOYSA-N 0 3 299.334 2.213 20 30 CEEDHN C#CCCN1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496435746 381212364 /nfs/dbraw/zinc/21/23/64/381212364.db2.gz JQZVQFQRZAUSLI-UONOGXRCSA-N 0 3 278.396 2.341 20 30 CEEDHN C=CCOCCN1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496727192 381226330 /nfs/dbraw/zinc/22/63/30/381226330.db2.gz KMPYOODBRINTBW-ZDUSSCGKSA-N 0 3 284.400 2.130 20 30 CEEDHN C#CCCCC(=O)NCc1cccc(CN(C)C)c1 ZINC000192067394 533017409 /nfs/dbraw/zinc/01/74/09/533017409.db2.gz FSRLELKNTSWSTK-UHFFFAOYSA-N 0 3 258.365 2.168 20 30 CEEDHN N#Cc1cnn(C[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000289430344 197343434 /nfs/dbraw/zinc/34/34/34/197343434.db2.gz RVCMUGQYJQSQDW-QGZVFWFLSA-N 0 3 296.374 2.046 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1c1nc2ccccc2n1C ZINC000334587795 533110668 /nfs/dbraw/zinc/11/06/68/533110668.db2.gz IGZQIOAAJNKYNJ-FZMZJTMJSA-N 0 3 282.347 2.396 20 30 CEEDHN C#CCCN1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC000365402133 262364424 /nfs/dbraw/zinc/36/44/24/262364424.db2.gz CQLXASIMZKJQIK-ZIAGYGMSSA-N 0 3 278.396 2.341 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC[C@H](CO)[C@H]1C ZINC000412069014 533269619 /nfs/dbraw/zinc/26/96/19/533269619.db2.gz FMOFHTUBHZKVHL-TZMCWYRMSA-N 0 3 274.364 2.160 20 30 CEEDHN Cn1cc(CNC[C@@H]2COC3(CCCCC3)O2)cc1C#N ZINC000191559135 130253920 /nfs/dbraw/zinc/25/39/20/130253920.db2.gz CWLSFBAEOCCECV-OAHLLOKOSA-N 0 3 289.379 2.062 20 30 CEEDHN CN(CCCC(C)(C)C#N)C[C@H](O)C(F)(F)F ZINC000305789866 394512805 /nfs/dbraw/zinc/51/28/05/394512805.db2.gz ZPPKHFVKGCRJBH-VIFPVBQESA-N 0 3 252.280 2.171 20 30 CEEDHN CN(C)CCn1cc(Nc2cccc(F)c2C#N)cn1 ZINC000301143487 394459486 /nfs/dbraw/zinc/45/94/86/394459486.db2.gz JTMRSAYRAAHRCQ-UHFFFAOYSA-N 0 3 273.315 2.199 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)C[C@@H]1CSCCN1 ZINC000236658774 394485747 /nfs/dbraw/zinc/48/57/47/394485747.db2.gz KBJJJHJCWZWUPP-GFCCVEGCSA-N 0 3 296.461 2.358 20 30 CEEDHN CN(CCC(=O)N(C)CCC#N)Cc1cccc(F)c1 ZINC000034674375 394493568 /nfs/dbraw/zinc/49/35/68/394493568.db2.gz UHUGBILDUPVRAM-UHFFFAOYSA-N 0 3 277.343 2.020 20 30 CEEDHN CC(C#N)C(=O)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000355670806 394495967 /nfs/dbraw/zinc/49/59/67/394495967.db2.gz GLWKUQVLEGACHY-HIFRSBDPSA-N 0 3 272.348 2.006 20 30 CEEDHN CC(C)(C#N)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000042105303 394501535 /nfs/dbraw/zinc/50/15/35/394501535.db2.gz IZILTYDMMSGKOL-UHFFFAOYSA-N 0 3 285.391 2.317 20 30 CEEDHN C=CCOCCNCc1c[nH]nc1-c1cccs1 ZINC000305503833 394507584 /nfs/dbraw/zinc/50/75/84/394507584.db2.gz KKBOLXCOIUZCGU-UHFFFAOYSA-N 0 3 263.366 2.430 20 30 CEEDHN N#CCCCOc1cccc(CN2CCC(O)CC2)c1 ZINC000305730422 394510821 /nfs/dbraw/zinc/51/08/21/394510821.db2.gz LLUGWGCCHDMROT-UHFFFAOYSA-N 0 3 274.364 2.326 20 30 CEEDHN C[C@H]1[C@@H](N2CCCC2)CCN1c1ncc(C#N)cc1F ZINC000413298304 394521208 /nfs/dbraw/zinc/52/12/08/394521208.db2.gz SILLSEDHENMRNF-FZMZJTMJSA-N 0 3 274.343 2.155 20 30 CEEDHN Cc1ccccc1CN(C)CCC(=O)N(C)CCC#N ZINC000048872266 394535314 /nfs/dbraw/zinc/53/53/14/394535314.db2.gz BZQTVEMUUZONQT-UHFFFAOYSA-N 0 3 273.380 2.189 20 30 CEEDHN CC[C@@H]1CCCN([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000330436163 394609395 /nfs/dbraw/zinc/60/93/95/394609395.db2.gz MPMLUFHDZMVOFR-CHWSQXEVSA-N 0 3 283.416 2.183 20 30 CEEDHN CCN1CCC(NC(=O)c2cn(C)nc2C(C)C)CC1 ZINC000330521854 394616930 /nfs/dbraw/zinc/61/69/30/394616930.db2.gz ACCFPAAGEDHUEG-UHFFFAOYSA-N 0 3 278.400 2.332 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCC[C@@H]2C)CC1 ZINC000358990924 394736606 /nfs/dbraw/zinc/73/66/06/394736606.db2.gz BYOVSVIMYBPPOM-UONOGXRCSA-N 0 3 279.428 2.372 20 30 CEEDHN C=CCN(CCC(=O)N(C)CCC#N)CCc1ccccc1 ZINC000270655521 394738188 /nfs/dbraw/zinc/73/81/88/394738188.db2.gz NCUVADVNQDLRLK-UHFFFAOYSA-N 0 3 299.418 2.479 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000334438589 394685569 /nfs/dbraw/zinc/68/55/69/394685569.db2.gz TVCYEEWPNQRCHO-GXFFZTMASA-N 0 3 278.739 2.479 20 30 CEEDHN C=C(C)CCNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000334789554 394711013 /nfs/dbraw/zinc/71/10/13/394711013.db2.gz VGHKIKUJQOFHFR-UONOGXRCSA-N 0 3 265.401 2.078 20 30 CEEDHN CO[C@H]1CCN(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000271192007 394751212 /nfs/dbraw/zinc/75/12/12/394751212.db2.gz PPJKSNKTQNLOGZ-INIZCTEOSA-N 0 3 273.380 2.257 20 30 CEEDHN C[C@@H]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000272375355 394771095 /nfs/dbraw/zinc/77/10/95/394771095.db2.gz VCSMJNQMJWXISU-CJNGLKHVSA-N 0 3 283.375 2.395 20 30 CEEDHN CN(C(=O)[C@@]1(C#N)CC12CCCC2)[C@@H]1CCN(C2CC2)C1 ZINC000335651288 394785712 /nfs/dbraw/zinc/78/57/12/394785712.db2.gz TVMSQJCWQBDGKN-PBHICJAKSA-N 0 3 287.407 2.156 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(C#N)CC1 ZINC000335719623 394793458 /nfs/dbraw/zinc/79/34/58/394793458.db2.gz FVNKCQCVLWOYEK-OKILXGFUSA-N 0 3 292.427 2.194 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000360942934 394811334 /nfs/dbraw/zinc/81/13/34/394811334.db2.gz SPTQRYBIABANAO-FVQBIDKESA-N 0 3 294.439 2.156 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC[C@@H]2Cc2ccccc2)C1=O ZINC000281907905 394872979 /nfs/dbraw/zinc/87/29/79/394872979.db2.gz GFSOWWOMOOXZNN-IAGOWNOFSA-N 0 3 284.403 2.480 20 30 CEEDHN C=CCN1CC[C@H](N2CCC[C@@H]2Cc2ccccc2)C1=O ZINC000281907912 394873291 /nfs/dbraw/zinc/87/32/91/394873291.db2.gz GFSOWWOMOOXZNN-SJORKVTESA-N 0 3 284.403 2.480 20 30 CEEDHN CC(C#N)C(=O)N1CCSC2(CCCCC2)C1 ZINC000336133287 394829150 /nfs/dbraw/zinc/82/91/50/394829150.db2.gz JWGPLGRAASMKJE-LLVKDONJSA-N 0 3 252.383 2.424 20 30 CEEDHN C=CCC[C@H](O)CN(CCOC)Cc1ccc(C#N)cc1 ZINC000124644888 394838562 /nfs/dbraw/zinc/83/85/62/394838562.db2.gz ZHMYPLPIQJHDCW-KRWDZBQOSA-N 0 3 288.391 2.334 20 30 CEEDHN CC[C@@H](NCC1(S(C)(=O)=O)CC1)c1ccc(C#N)cc1 ZINC000279892089 394844525 /nfs/dbraw/zinc/84/45/25/394844525.db2.gz ACIBUEIZMQCFTK-CQSZACIVSA-N 0 3 292.404 2.176 20 30 CEEDHN Cc1ccc(Cl)cc1N1CCN(C(=O)C(C)C#N)CC1 ZINC000336393762 394850525 /nfs/dbraw/zinc/85/05/25/394850525.db2.gz VZJXDXOQPOFRME-LBPRGKRZSA-N 0 3 291.782 2.457 20 30 CEEDHN C=CCC[C@H](O)CN1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000363877744 394888087 /nfs/dbraw/zinc/88/80/87/394888087.db2.gz FQWGWYOFXCKBJO-LSDHHAIUSA-N 0 3 290.407 2.143 20 30 CEEDHN C#CCCN1CCC(C(=O)Nc2nc(C)cs2)CC1 ZINC000366910284 394954233 /nfs/dbraw/zinc/95/42/33/394954233.db2.gz PYDRFYYHCJQPRA-UHFFFAOYSA-N 0 3 277.393 2.125 20 30 CEEDHN CC(C)(C#N)CCN1CCC[C@H](c2ccnc(N)n2)C1 ZINC000338383581 394918675 /nfs/dbraw/zinc/91/86/75/394918675.db2.gz ZZTAXHYEHOYMMW-LBPRGKRZSA-N 0 3 273.384 2.008 20 30 CEEDHN CCOCC(C)(C)NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000339370800 394957400 /nfs/dbraw/zinc/95/74/00/394957400.db2.gz DWSQBMABEYBZFS-UHFFFAOYSA-N 0 3 295.427 2.076 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@H](C)NCC#Cc1ccccc1 ZINC000283252650 394931346 /nfs/dbraw/zinc/93/13/46/394931346.db2.gz VMPMEUOCGXNWEP-KBPBESRZSA-N 0 3 259.349 2.215 20 30 CEEDHN CC#CC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000283368133 394932788 /nfs/dbraw/zinc/93/27/88/394932788.db2.gz CAWAXXFYDGTSDY-MRXNPFEDSA-N 0 3 284.403 2.427 20 30 CEEDHN CC(C)CCOC1CCN(CCOCCC#N)CC1 ZINC000338910078 394933497 /nfs/dbraw/zinc/93/34/97/394933497.db2.gz AXFXXNIHMMTSLH-UHFFFAOYSA-N 0 3 268.401 2.444 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000283426971 394933660 /nfs/dbraw/zinc/93/36/60/394933660.db2.gz SAVYAJCBYVJKCJ-BPUTZDHNSA-N 0 3 293.432 2.369 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCCC2(CCC2)C1 ZINC000366343077 394942659 /nfs/dbraw/zinc/94/26/59/394942659.db2.gz QOWJRRRQVGAQNV-UHFFFAOYSA-N 0 3 263.385 2.015 20 30 CEEDHN C=CCOCCN1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000339095491 394943012 /nfs/dbraw/zinc/94/30/12/394943012.db2.gz BEWQTUYOJIPGKY-UHFFFAOYSA-N 0 3 293.382 2.398 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1cnc(OC)c(Cl)c1 ZINC000284457918 394944852 /nfs/dbraw/zinc/94/48/52/394944852.db2.gz SYUXWCSRLVPZEQ-KOLCDFICSA-N 0 3 270.760 2.331 20 30 CEEDHN CN(C)c1noc([C@@H]2CCCN([C@@H]3CC[C@H](C#N)C3)C2)n1 ZINC000339158594 394946559 /nfs/dbraw/zinc/94/65/59/394946559.db2.gz NDKYYXHTYPSMKG-YNEHKIRRSA-N 0 3 289.383 2.007 20 30 CEEDHN CCNC(=O)C[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000284842786 394950125 /nfs/dbraw/zinc/95/01/25/394950125.db2.gz RCARWLFRRMOFJP-KRWDZBQOSA-N 0 3 284.403 2.419 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(C)C1CCN(CC)CC1)OCC ZINC000339193715 394950898 /nfs/dbraw/zinc/95/08/98/394950898.db2.gz GDKIURIFXUPINU-HNNXBMFYSA-N 0 3 282.428 2.300 20 30 CEEDHN N#CCCCCNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415963888 394987814 /nfs/dbraw/zinc/98/78/14/394987814.db2.gz WKUXKLDBVNYCJX-UHFFFAOYSA-N 0 3 290.342 2.287 20 30 CEEDHN C=CCCOCCNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416177531 395027473 /nfs/dbraw/zinc/02/74/73/395027473.db2.gz ILDFXQNBLBHDLG-INIZCTEOSA-N 0 3 290.407 2.388 20 30 CEEDHN C=CCN(CC=C)CCc1c(C)nc2sccn2c1=O ZINC000286039729 395004645 /nfs/dbraw/zinc/00/46/45/395004645.db2.gz QKJKXUANEBMMLF-UHFFFAOYSA-N 0 3 289.404 2.281 20 30 CEEDHN CC(C)N1C[C@@H](C)[C@H](Nc2nccc(C#N)c2Cl)C1 ZINC000342566840 395016147 /nfs/dbraw/zinc/01/61/47/395016147.db2.gz LYGHXMNKSITKNA-ZYHUDNBSSA-N 0 3 278.787 2.169 20 30 CEEDHN C=CCC[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccco1 ZINC000285551622 394958421 /nfs/dbraw/zinc/95/84/21/394958421.db2.gz GQMUKMOEBOGMRE-OLZOCXBDSA-N 0 3 283.393 2.311 20 30 CEEDHN C=C(C)[C@@H](CC(=O)NCCN1CCC[C@H](C)C1)OCC ZINC000339421004 394958808 /nfs/dbraw/zinc/95/88/08/394958808.db2.gz CPFKEOGKZAJKKZ-LSDHHAIUSA-N 0 3 282.428 2.206 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)C1(C#N)CCC1 ZINC000134942423 394960739 /nfs/dbraw/zinc/96/07/39/394960739.db2.gz NTAWVMBAFXWVON-CYBMUJFWSA-N 0 3 263.385 2.061 20 30 CEEDHN CC#CCNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000135042304 394962866 /nfs/dbraw/zinc/96/28/66/394962866.db2.gz CFAXQZVRGQAYPI-CQSZACIVSA-N 0 3 293.436 2.454 20 30 CEEDHN CN(C)CCSCC(=O)N(CCC#N)c1ccccc1 ZINC000339690611 394967171 /nfs/dbraw/zinc/96/71/71/394967171.db2.gz OVGQWOOSEJAQJM-UHFFFAOYSA-N 0 3 291.420 2.228 20 30 CEEDHN CC#CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000136034870 394968831 /nfs/dbraw/zinc/96/88/31/394968831.db2.gz HYDOTAAHOSPQRJ-MRXNPFEDSA-N 0 3 285.391 2.146 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000155267253 395026844 /nfs/dbraw/zinc/02/68/44/395026844.db2.gz YUUJEOAIXSGSSX-HIFRSBDPSA-N 0 3 288.391 2.175 20 30 CEEDHN N#CCOc1ccc(CN[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000375838136 395100411 /nfs/dbraw/zinc/10/04/11/395100411.db2.gz ITCMIRARXUHINS-OAHLLOKOSA-N 0 3 282.347 2.479 20 30 CEEDHN Cc1nc(C2CCN(CC#Cc3ccccc3)CC2)n[nH]1 ZINC000373818230 395066128 /nfs/dbraw/zinc/06/61/28/395066128.db2.gz JFGPZTFQFGQOCR-UHFFFAOYSA-N 0 3 280.375 2.344 20 30 CEEDHN Cc1n[nH]c(C2CCN(CC#Cc3ccccc3)CC2)n1 ZINC000373818230 395066135 /nfs/dbraw/zinc/06/61/35/395066135.db2.gz JFGPZTFQFGQOCR-UHFFFAOYSA-N 0 3 280.375 2.344 20 30 CEEDHN Cc1nnc(C2CCN(CC#Cc3ccccc3)CC2)[nH]1 ZINC000373818230 395066138 /nfs/dbraw/zinc/06/61/38/395066138.db2.gz JFGPZTFQFGQOCR-UHFFFAOYSA-N 0 3 280.375 2.344 20 30 CEEDHN C=CCCCS(=O)(=O)N(C)C(C)(C)CN1CCCC1 ZINC000416656833 395067263 /nfs/dbraw/zinc/06/72/63/395067263.db2.gz COASKTNBEHIUDA-UHFFFAOYSA-N 0 3 288.457 2.089 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N1CCCN(C2CC2)CC1 ZINC000374189508 395075539 /nfs/dbraw/zinc/07/55/39/395075539.db2.gz RDPXBLHPEMNTAM-CYBMUJFWSA-N 0 3 265.401 2.221 20 30 CEEDHN C=C(C)COc1cc(CN[C@@H](C)CC(N)=O)ccc1OC ZINC000345830790 395079696 /nfs/dbraw/zinc/07/96/96/395079696.db2.gz LGWALDVAMFMKOE-LBPRGKRZSA-N 0 3 292.379 2.004 20 30 CEEDHN C=C[C@@H](CO)N[C@@H]1CCCc2nc(CC)sc21 ZINC000289743048 395085446 /nfs/dbraw/zinc/08/54/46/395085446.db2.gz KRWUEGDWWKEBHU-VHSXEESVSA-N 0 3 252.383 2.219 20 30 CEEDHN C=C[C@@H](CO)N[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000289774459 395086388 /nfs/dbraw/zinc/08/63/88/395086388.db2.gz MIHKBAALJVRCFW-YPMHNXCESA-N 0 3 263.337 2.045 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc(OC)c(OCC(=C)C)c1 ZINC000289766246 395086693 /nfs/dbraw/zinc/08/66/93/395086693.db2.gz IMYHHEYPHGSZQM-AWEZNQCLSA-N 0 3 277.364 2.287 20 30 CEEDHN CN1CC[C@@H]2CCN(c3ccc(C#N)cc3F)C[C@H]21 ZINC000375051516 395089954 /nfs/dbraw/zinc/08/99/54/395089954.db2.gz WGTBOLCVEWRACG-IUODEOHRSA-N 0 3 259.328 2.228 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](n2cncn2)C1 ZINC000375332096 395091754 /nfs/dbraw/zinc/09/17/54/395091754.db2.gz KEDZVYLBPWANGW-IUODEOHRSA-N 0 3 267.336 2.158 20 30 CEEDHN N#CCCCCN[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000171715229 395097443 /nfs/dbraw/zinc/09/74/43/395097443.db2.gz LAERMNHDSIXDAV-OAHLLOKOSA-N 0 3 271.364 2.290 20 30 CEEDHN C#CCCN1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000375765945 395097447 /nfs/dbraw/zinc/09/74/47/395097447.db2.gz YUKVJPXKLGMVIF-CQSZACIVSA-N 0 3 264.369 2.097 20 30 CEEDHN COc1ccccc1O[C@@H]1CCCN(C(=O)C(C)C#N)C1 ZINC000343108126 395031707 /nfs/dbraw/zinc/03/17/07/395031707.db2.gz YFPSZHCGZNEKLB-QWHCGFSZSA-N 0 3 288.347 2.225 20 30 CEEDHN CN(C)[C@@H](CC(=O)NCC(C)(C)C#N)c1ccccc1 ZINC000416207623 395032076 /nfs/dbraw/zinc/03/20/76/395032076.db2.gz WMFYXGKIPSFHHO-AWEZNQCLSA-N 0 3 273.380 2.345 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)CCN1CCc2ccccc2C1 ZINC000416240864 395036331 /nfs/dbraw/zinc/03/63/31/395036331.db2.gz OAKLOSWQJLCQKP-UHFFFAOYSA-N 0 3 299.418 2.443 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](C2CCOCC2)C1 ZINC000372212039 395036861 /nfs/dbraw/zinc/03/68/61/395036861.db2.gz NZAVQJRLOXTFAD-INIZCTEOSA-N 0 3 294.439 2.160 20 30 CEEDHN C=CCCCN1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000372271751 395038079 /nfs/dbraw/zinc/03/80/79/395038079.db2.gz BYHAIACACJBORN-CYBMUJFWSA-N 0 3 290.411 2.257 20 30 CEEDHN C#CCC(C)(C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372405491 395041625 /nfs/dbraw/zinc/04/16/25/395041625.db2.gz PSNZJQYZFYZCTB-HOTGVXAUSA-N 0 3 299.418 2.240 20 30 CEEDHN N#CCSCCCN1CCN(c2cccc(O)c2)CC1 ZINC000173864353 395116829 /nfs/dbraw/zinc/11/68/29/395116829.db2.gz FBCYXSHMPZRAKF-UHFFFAOYSA-N 0 3 291.420 2.161 20 30 CEEDHN CC[C@@H](O)CN1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000174070595 395119358 /nfs/dbraw/zinc/11/93/58/395119358.db2.gz USKPCHFWACUOMK-RHSMWYFYSA-N 0 3 287.407 2.008 20 30 CEEDHN C#CCCCCN[C@H](C(=O)N(C)C)c1ccccc1 ZINC000177095904 395146173 /nfs/dbraw/zinc/14/61/73/395146173.db2.gz XDYQILNRWBIEIM-HNNXBMFYSA-N 0 3 258.365 2.209 20 30 CEEDHN CC1(CN2CCN(c3cccc(C#N)n3)CC2)CCC1 ZINC000432867684 395182274 /nfs/dbraw/zinc/18/22/74/395182274.db2.gz WFTFHOYPBRTZNR-UHFFFAOYSA-N 0 3 270.380 2.265 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000514994224 395172745 /nfs/dbraw/zinc/17/27/45/395172745.db2.gz ZGVDXEWLJSRHNG-FVQBIDKESA-N 0 3 286.375 2.470 20 30 CEEDHN C=CCN1CCC(Nc2ccc(C#N)c(C)n2)CC1 ZINC000291901009 395179635 /nfs/dbraw/zinc/17/96/35/395179635.db2.gz KEOUUJIGCDVMHS-UHFFFAOYSA-N 0 3 256.353 2.324 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@H]1O ZINC000351807080 395233428 /nfs/dbraw/zinc/23/34/28/395233428.db2.gz GSOQBSLMVATYJV-IUODEOHRSA-N 0 3 258.365 2.300 20 30 CEEDHN C=C[C@H](CO)NCc1cccc(-c2ccccn2)c1 ZINC000352447562 395253738 /nfs/dbraw/zinc/25/37/38/395253738.db2.gz MVPVUKRTEKJLKD-OAHLLOKOSA-N 0 3 254.333 2.385 20 30 CEEDHN CCN(CCC#N)C(=O)CN[C@@H](C)c1ccc(C)cc1 ZINC000182313401 395239423 /nfs/dbraw/zinc/23/94/23/395239423.db2.gz CLKHPGYAWHAMBH-AWEZNQCLSA-N 0 3 273.380 2.408 20 30 CEEDHN C[S@@](=O)C[C@@H](NCCCSCC#N)c1ccccc1 ZINC000183098710 395251362 /nfs/dbraw/zinc/25/13/62/395251362.db2.gz VFTIMXSTJDMKAK-AUUYWEPGSA-N 0 3 296.461 2.343 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(Cc2ccccc2)CCC1 ZINC000293877421 395254682 /nfs/dbraw/zinc/25/46/82/395254682.db2.gz CGRYUSYNTKNJGI-UHFFFAOYSA-N 0 3 298.430 2.471 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCCCO2)cc1 ZINC000527319466 395277878 /nfs/dbraw/zinc/27/78/78/395277878.db2.gz QTJFSNVRPBDWIJ-OAHLLOKOSA-N 0 3 283.331 2.185 20 30 CEEDHN CC(C)[C@@H]1CCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000353019032 395284202 /nfs/dbraw/zinc/28/42/02/395284202.db2.gz BCVWRPZCORDRCS-RDJZCZTQSA-N 0 3 288.391 2.223 20 30 CEEDHN COCCOC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000186233925 395286731 /nfs/dbraw/zinc/28/67/31/395286731.db2.gz HJCRWVADOYDQDV-UHFFFAOYSA-N 0 3 288.391 2.494 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC([C@H](C)O)CC1 ZINC000186228286 395287279 /nfs/dbraw/zinc/28/72/79/395287279.db2.gz JKRPOSRPYJRDIN-ZDUSSCGKSA-N 0 3 258.365 2.460 20 30 CEEDHN CC(CN1CCC(C#N)CC1)CN1CCC(C#N)CC1 ZINC000408191028 395293382 /nfs/dbraw/zinc/29/33/82/395293382.db2.gz CIEZHAJDMSTVNH-UHFFFAOYSA-N 0 3 274.412 2.094 20 30 CEEDHN C[C@@H](CCC#N)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000411372748 395327018 /nfs/dbraw/zinc/32/70/18/395327018.db2.gz FNRAQBFCBHWILW-RYUDHWBXSA-N 0 3 289.339 2.168 20 30 CEEDHN CCCN(C[C@H]1CCCCO1)[C@H](C)C(=O)N(C)CCC#N ZINC000411370440 395327325 /nfs/dbraw/zinc/32/73/25/395327325.db2.gz UDOABFGTGZCODJ-HUUCEWRRSA-N 0 3 295.427 2.028 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000352457526 395255184 /nfs/dbraw/zinc/25/51/84/395255184.db2.gz WFSPEDYRZJXYDD-UKRRQHHQSA-N 0 3 252.402 2.389 20 30 CEEDHN C#CCN(C)CCCNC(=O)C[C@H]1CCc2ccccc2C1 ZINC000293932205 395259131 /nfs/dbraw/zinc/25/91/31/395259131.db2.gz HYPGUCLRBSVHEV-INIZCTEOSA-N 0 3 298.430 2.253 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000183841006 395265120 /nfs/dbraw/zinc/26/51/20/395265120.db2.gz NUKKRHUIUAOIMB-UONOGXRCSA-N 0 3 265.401 2.305 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000435686689 395383241 /nfs/dbraw/zinc/38/32/41/395383241.db2.gz AKZBFSJKVAAHMN-VXGBXAGGSA-N 0 3 289.379 2.452 20 30 CEEDHN COc1cc([C@H](C)N[C@@H](C)CCC#N)ccc1OCCO ZINC000411460099 395328962 /nfs/dbraw/zinc/32/89/62/395328962.db2.gz QURVDNKXGJWFRW-STQMWFEESA-N 0 3 292.379 2.409 20 30 CEEDHN C=CCN(CCOC)CCC(=O)Nc1sccc1C#N ZINC000191116358 395349618 /nfs/dbraw/zinc/34/96/18/395349618.db2.gz RWKWLTPMMGPOSV-UHFFFAOYSA-N 0 3 293.392 2.083 20 30 CEEDHN C=CCN(CCOC)CCC(=O)Nc1ccccc1C#N ZINC000191110438 395350208 /nfs/dbraw/zinc/35/02/08/395350208.db2.gz QLWOWJVMHGLVQN-UHFFFAOYSA-N 0 3 287.363 2.021 20 30 CEEDHN N#Cc1csc(CNC[C@@H](O)COc2ccccc2)c1 ZINC000531355981 395458342 /nfs/dbraw/zinc/45/83/42/395458342.db2.gz CWKDNMBKHADRLT-CYBMUJFWSA-N 0 3 288.372 2.149 20 30 CEEDHN Cn1ccnc1[C@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000534579644 395463057 /nfs/dbraw/zinc/46/30/57/395463057.db2.gz ZFAMXVLCTQMYAN-HNNXBMFYSA-N 0 3 296.374 2.160 20 30 CEEDHN Cc1cc(C[NH2+]Cc2ncccc2[O-])ccc1C#N ZINC000355315837 395408138 /nfs/dbraw/zinc/40/81/38/395408138.db2.gz NCTLCOIKDHAEHS-UHFFFAOYSA-N 0 3 253.305 2.257 20 30 CEEDHN C[C@@H](CNC[C@@H](C#N)CCC#N)N1CCc2ccccc2C1 ZINC000567771870 395535739 /nfs/dbraw/zinc/53/57/39/395535739.db2.gz NTIRGPWSIMBBFS-JKSUJKDBSA-N 0 3 296.418 2.466 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@]2(C)CC=CCC2)CC1 ZINC000448919585 395543278 /nfs/dbraw/zinc/54/32/78/395543278.db2.gz BOSMLEZBCFUSKW-MRXNPFEDSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCCCCN1CCN(C(C)(C)COC)CC1 ZINC000573114318 395600347 /nfs/dbraw/zinc/60/03/47/395600347.db2.gz NFFDZHUDKMLLGI-UHFFFAOYSA-N 0 3 254.418 2.385 20 30 CEEDHN N#Cc1ccc(NC(=O)CN[C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000573779450 395617019 /nfs/dbraw/zinc/61/70/19/395617019.db2.gz IUSMJENTFHFJKR-SNPRPXQTSA-N 0 3 269.348 2.275 20 30 CEEDHN C=C(C)CCNCc1cccc(S(C)(=O)=O)c1 ZINC000449472145 395550222 /nfs/dbraw/zinc/55/02/22/395550222.db2.gz FAYDBPFHVWHOLS-UHFFFAOYSA-N 0 3 253.367 2.146 20 30 CEEDHN N#Cc1ccc(CN[C@@H]([C@H](CO)C2CC2)C2CC2)o1 ZINC000449514159 395552578 /nfs/dbraw/zinc/55/25/78/395552578.db2.gz XTAJSRZVHPCHSW-HUUCEWRRSA-N 0 3 260.337 2.038 20 30 CEEDHN N#Cc1csc(CN(CCO)C2CCSCC2)c1 ZINC000449682861 395560433 /nfs/dbraw/zinc/56/04/33/395560433.db2.gz IDRXUUJYTPEOJI-UHFFFAOYSA-N 0 3 282.434 2.310 20 30 CEEDHN CN1CCN(CCCC2(C#N)CCOCC2)CC1(C)C ZINC000568950566 395571377 /nfs/dbraw/zinc/57/13/77/395571377.db2.gz ATJDXAPVJBXTRR-UHFFFAOYSA-N 0 3 279.428 2.113 20 30 CEEDHN CC1CCN(CC(=O)N2CCC(CCC#N)CC2)CC1 ZINC000572042575 395585483 /nfs/dbraw/zinc/58/54/83/395585483.db2.gz QBKCTHWWFSCKBZ-UHFFFAOYSA-N 0 3 277.412 2.261 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@@H](OC)[C@H](C)C1 ZINC000451574222 395623139 /nfs/dbraw/zinc/62/31/39/395623139.db2.gz RMWSFBXBAPSBTA-IUODEOHRSA-N 0 3 274.364 2.424 20 30 CEEDHN CO[C@@H]1COCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000453328532 395628056 /nfs/dbraw/zinc/62/80/56/395628056.db2.gz UCMFRDXBEZUMIY-NORZTCDRSA-N 0 3 292.354 2.399 20 30 CEEDHN COC[C@](C)(O)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000453255120 395628060 /nfs/dbraw/zinc/62/80/60/395628060.db2.gz LHTDXILJIGPYEH-IAQYHMDHSA-N 0 3 280.343 2.135 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)NCCN1CCCC1(C)C ZINC000457066956 395634624 /nfs/dbraw/zinc/63/46/24/395634624.db2.gz ZWDMJBAXKJTVHQ-UHFFFAOYSA-N 0 3 285.391 2.471 20 30 CEEDHN CC(C)N1CC[C@H](N(C)C(=O)Cc2ccc(C#N)cc2)C1 ZINC000457122695 395634893 /nfs/dbraw/zinc/63/48/93/395634893.db2.gz OXMOMGHPHCCPGU-INIZCTEOSA-N 0 3 285.391 2.042 20 30 CEEDHN COc1cccc2c1C[C@H](NCc1ccc(C#N)o1)C2 ZINC000459711060 395666605 /nfs/dbraw/zinc/66/66/05/395666605.db2.gz VJISQQJPHBADKD-GFCCVEGCSA-N 0 3 268.316 2.417 20 30 CEEDHN C#CCN(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000490778860 395669044 /nfs/dbraw/zinc/66/90/44/395669044.db2.gz NAFDSOIEDKPCAL-UHFFFAOYSA-N 0 3 254.374 2.102 20 30 CEEDHN C#C[C@H](CCC)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000491427150 395669617 /nfs/dbraw/zinc/66/96/17/395669617.db2.gz JGPDMSZODXVVAQ-IUODEOHRSA-N 0 3 268.376 2.117 20 30 CEEDHN C[C@@H](CNC(=O)/C=C\c1ccc(C#N)cc1)N(C)C1CC1 ZINC000491466271 395669830 /nfs/dbraw/zinc/66/98/30/395669830.db2.gz VJTIFUVOIREZME-SZNGSJQDSA-N 0 3 283.375 2.170 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)c1cccc(CN(C)C)c1 ZINC000491634009 395670124 /nfs/dbraw/zinc/67/01/24/395670124.db2.gz QGSRAJPJXDXHJJ-HNNXBMFYSA-N 0 3 258.365 2.280 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([C@@H](C)CO)CC1 ZINC000649803808 396261691 /nfs/dbraw/zinc/26/16/91/396261691.db2.gz QKLWJBAJEXXJSB-GJZGRUSLSA-N 0 3 296.455 2.140 20 30 CEEDHN C=CCC[C@@H](O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000150878653 400281379 /nfs/dbraw/zinc/28/13/79/400281379.db2.gz MNFVBFSAKLPERC-FVQBIDKESA-N 0 3 291.391 2.454 20 30 CEEDHN C=CCN1CCC(Nc2nccc(SC)n2)CC1 ZINC000651308393 401311830 /nfs/dbraw/zinc/31/18/30/401311830.db2.gz NVVGDMMTPVLKBB-UHFFFAOYSA-N 0 3 264.398 2.261 20 30 CEEDHN C[C@H](C(=O)N[C@H]1CCN(C)[C@H](C)C1)c1cccc(C#N)c1 ZINC000360290855 155264537 /nfs/dbraw/zinc/26/45/37/155264537.db2.gz SEINNFSXIPCLRL-WWGRRREGSA-N 0 3 285.391 2.261 20 30 CEEDHN CC[C@@]1(CO)CCCN1Cc1cc(C#N)ccc1OC ZINC000189671127 153102360 /nfs/dbraw/zinc/10/23/60/153102360.db2.gz TZVRCMYNGFDIHQ-INIZCTEOSA-N 0 3 274.364 2.304 20 30 CEEDHN CN(CCCn1ccnc1)Cc1ccc(C#N)c(F)c1 ZINC000192137003 153205369 /nfs/dbraw/zinc/20/53/69/153205369.db2.gz OBSJNMKGFREPDS-UHFFFAOYSA-N 0 3 272.327 2.416 20 30 CEEDHN CN(CC(=O)NCc1ccc(C#N)cc1)C[C@@H]1CC=CCC1 ZINC000344082770 154268290 /nfs/dbraw/zinc/26/82/90/154268290.db2.gz RYIOHWKJQWQMDH-QGZVFWFLSA-N 0 3 297.402 2.463 20 30 CEEDHN CC(C)OCCN(C)CCOCc1ccc(C#N)cc1 ZINC000344078046 154269625 /nfs/dbraw/zinc/26/96/25/154269625.db2.gz XPTUVNXGSAJUPZ-UHFFFAOYSA-N 0 3 276.380 2.432 20 30 CEEDHN CO[C@]1(CN[C@H](C)c2ccc(C#N)cc2F)CCOC1 ZINC000359411920 155007703 /nfs/dbraw/zinc/00/77/03/155007703.db2.gz FMERBIBESWNOTL-ABAIWWIYSA-N 0 3 278.327 2.153 20 30 CEEDHN COc1ccc(CN2CCC3(CCO3)CC2)cc1C#N ZINC000367242664 156155774 /nfs/dbraw/zinc/15/57/74/156155774.db2.gz CITIYFYPKPLKGE-UHFFFAOYSA-N 0 3 272.348 2.322 20 30 CEEDHN COC[C@H]1CCCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000368662236 156387094 /nfs/dbraw/zinc/38/70/94/156387094.db2.gz ZFELLJGIIMCPDP-HNNXBMFYSA-N 0 3 298.390 2.454 20 30 CEEDHN COc1cc(CN2CC[C@]3(CCOC3)C2)ccc1C#N ZINC000376000406 157174704 /nfs/dbraw/zinc/17/47/04/157174704.db2.gz PAKSDZFFEVMXDI-INIZCTEOSA-N 0 3 272.348 2.179 20 30 CEEDHN N#Cc1cc(CN2CCCC[C@@H]2C(=N)NO)ccc1F ZINC000376084670 157181001 /nfs/dbraw/zinc/18/10/01/157181001.db2.gz UGTCDOJJSZXBHL-CYBMUJFWSA-N 0 3 276.315 2.008 20 30 CEEDHN CCN(CCNC(=O)c1cc(C#N)ccc1Cl)C1CC1 ZINC000285317824 196249551 /nfs/dbraw/zinc/24/95/51/196249551.db2.gz MRCQULZHBBAMMP-UHFFFAOYSA-N 0 3 291.782 2.426 20 30 CEEDHN COC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000037250364 173062502 /nfs/dbraw/zinc/06/25/02/173062502.db2.gz SFXVHACYBAZXTR-UHFFFAOYSA-N 0 3 260.337 2.048 20 30 CEEDHN C[C@H]1CCSCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000285701250 196371544 /nfs/dbraw/zinc/37/15/44/196371544.db2.gz CRAHCTMUBNWCDB-WFASDCNBSA-N 0 3 276.405 2.419 20 30 CEEDHN C=CCc1cc(CNCCOCCF)cc(OC)c1O ZINC000663340579 414919337 /nfs/dbraw/zinc/91/93/37/414919337.db2.gz QKTKZZXUIWGSON-UHFFFAOYSA-N 0 3 283.343 2.205 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc(F)ccc1OC(F)F ZINC000657434414 414935304 /nfs/dbraw/zinc/93/53/04/414935304.db2.gz CVJINJDFNSZCGT-NSHDSACASA-N 0 3 275.270 2.454 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCCC(C)(C)F)CC1 ZINC000660597285 414891917 /nfs/dbraw/zinc/89/19/17/414891917.db2.gz ODGIDRHQFPKNEH-UHFFFAOYSA-N 0 3 285.407 2.464 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654316906 414903057 /nfs/dbraw/zinc/90/30/57/414903057.db2.gz FEVSXNZGHQIZHC-HLLBOEOZSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000660886010 415021488 /nfs/dbraw/zinc/02/14/88/415021488.db2.gz CSUYJECYNOZFDH-FMKPAKJESA-N 0 3 291.439 2.467 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc2n1CCC2 ZINC000657830837 415097042 /nfs/dbraw/zinc/09/70/42/415097042.db2.gz PHERRRNDYSOHGZ-OLZOCXBDSA-N 0 3 260.385 2.449 20 30 CEEDHN C=CCC1([NH2+]Cc2nc(C)ccc2[O-])CCOCC1 ZINC000657632952 415031584 /nfs/dbraw/zinc/03/15/84/415031584.db2.gz DTTJYIRFXQBJON-UHFFFAOYSA-N 0 3 262.353 2.311 20 30 CEEDHN C=CCN(CCn1nc(C)cc1C)[C@H](C)COC ZINC000661241451 415152285 /nfs/dbraw/zinc/15/22/85/415152285.db2.gz YIMDFDFDECLBAO-CQSZACIVSA-N 0 3 251.374 2.023 20 30 CEEDHN C=CCN(C[C@@H](O)COc1cccc(C)c1)[C@@H](C)COC ZINC000661247808 415156883 /nfs/dbraw/zinc/15/68/83/415156883.db2.gz REAGBENDXAFNOX-JKSUJKDBSA-N 0 3 293.407 2.258 20 30 CEEDHN CCC(C#N)(CC)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000044766628 175249217 /nfs/dbraw/zinc/24/92/17/175249217.db2.gz AKUIVEQBTPZIOE-ZDUSSCGKSA-N 0 3 265.401 2.307 20 30 CEEDHN C=CC[C@@H]1CCCN(CC[C@H]2CCS(=O)(=O)C2)C1 ZINC000661381529 415230684 /nfs/dbraw/zinc/23/06/84/415230684.db2.gz MRKPSPQNIVDYLJ-KGLIPLIRSA-N 0 3 271.426 2.099 20 30 CEEDHN N#CCNC(=O)CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000066473349 175760099 /nfs/dbraw/zinc/76/00/99/175760099.db2.gz JJZKTKBQUSATEU-KRWDZBQOSA-N 0 3 293.370 2.200 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)CN(C)C ZINC000664894939 415514929 /nfs/dbraw/zinc/51/49/29/415514929.db2.gz BVIUEHYNGWUNOU-MJBXVCDLSA-N 0 3 267.417 2.371 20 30 CEEDHN C=CCCn1cc(CN2CCNC[C@H]2c2ccccc2)nn1 ZINC000655939949 415558451 /nfs/dbraw/zinc/55/84/51/415558451.db2.gz NCVRAACJDBLCRO-KRWDZBQOSA-N 0 3 297.406 2.001 20 30 CEEDHN C=C(C)[C@H](CO)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000665191336 415617393 /nfs/dbraw/zinc/61/73/93/415617393.db2.gz LOKUQDLDBMMDKY-RDJZCZTQSA-N 0 3 274.408 2.130 20 30 CEEDHN C=C[C@H](CO)NCCc1cc(Cl)c2c(c1)OCCCO2 ZINC000662168463 415668478 /nfs/dbraw/zinc/66/84/78/415668478.db2.gz HKYPTMVQTDZMHG-GFCCVEGCSA-N 0 3 297.782 2.180 20 30 CEEDHN C=CC[C@@]1(C(=O)Nc2cccc(-c3nnc[n-]3)c2)CCC[NH2+]1 ZINC000662588193 415893968 /nfs/dbraw/zinc/89/39/68/415893968.db2.gz RPTVFCPKHXGUQV-INIZCTEOSA-N 0 3 297.362 2.109 20 30 CEEDHN C=CCOCCCNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000662664894 415925040 /nfs/dbraw/zinc/92/50/40/415925040.db2.gz WLWSNYKBHORGPO-DZGCQCFKSA-N 0 3 276.380 2.031 20 30 CEEDHN C=CCCCN(C)C(=O)NC[C@H]1CCCCN1CC ZINC000076974297 177136643 /nfs/dbraw/zinc/13/66/43/177136643.db2.gz SONPHIYFYOWIDX-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN C[C@@H]1C[C@@H](CCNC(=O)NCCN2CCCCC2)CCO1 ZINC000329259459 227389436 /nfs/dbraw/zinc/38/94/36/227389436.db2.gz ANURGYLHZGMIPR-CABCVRRESA-N 0 3 297.443 2.181 20 30 CEEDHN COCc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354475743 227007784 /nfs/dbraw/zinc/00/77/84/227007784.db2.gz RLNIYFOWRKVAGJ-CYBMUJFWSA-N 0 3 267.288 2.113 20 30 CEEDHN CN(C)Cc1cccc(CNC(=O)NCC(C)(C)C#N)c1 ZINC000350765004 227077417 /nfs/dbraw/zinc/07/74/17/227077417.db2.gz FDDKLJKHNVCYEC-UHFFFAOYSA-N 0 3 288.395 2.097 20 30 CEEDHN N#CCc1ccc(CN2CCOCC3(CC3)C2)cc1 ZINC000335915961 228008762 /nfs/dbraw/zinc/00/87/62/228008762.db2.gz WABFOBPYPVHGEG-UHFFFAOYSA-N 0 3 256.349 2.365 20 30 CEEDHN Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000330233144 228074898 /nfs/dbraw/zinc/07/48/98/228074898.db2.gz RXWPNSNKYISAKX-HNNXBMFYSA-N 0 3 290.411 2.163 20 30 CEEDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1nccs1 ZINC000330271230 228087244 /nfs/dbraw/zinc/08/72/44/228087244.db2.gz VPHYOPIEVJSQFU-JMJZKYOTSA-N 0 3 281.381 2.277 20 30 CEEDHN C[S@](=O)Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000353814402 228155502 /nfs/dbraw/zinc/15/55/02/228155502.db2.gz IMHNPXMHSSPDHA-CLCXKQKWSA-N 0 3 276.405 2.347 20 30 CEEDHN C=CCN(CC=C)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000666761004 419419338 /nfs/dbraw/zinc/41/93/38/419419338.db2.gz KLLZMFUAHAQKAQ-HNNXBMFYSA-N 0 3 279.428 2.490 20 30 CEEDHN C=CCCNC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000665947743 419488744 /nfs/dbraw/zinc/48/87/44/419488744.db2.gz XMMDEQDOXJVMIJ-UHFFFAOYSA-N 0 3 293.386 2.475 20 30 CEEDHN C=CCCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000665946462 419489015 /nfs/dbraw/zinc/48/90/15/419489015.db2.gz ZKHSDGKYWHTIMX-INIZCTEOSA-N 0 3 287.407 2.478 20 30 CEEDHN C#CCOc1ccc(CN2CC=C(COC)CC2)cc1 ZINC000187618296 260041011 /nfs/dbraw/zinc/04/10/11/260041011.db2.gz DIRFCTLAGAGLJP-UHFFFAOYSA-N 0 3 271.360 2.477 20 30 CEEDHN CC[C@H](N[C@H]1CCN(C(C)=O)C1)c1ccc(C#N)cc1 ZINC000447583456 260065464 /nfs/dbraw/zinc/06/54/64/260065464.db2.gz BMVSPCBMEMYJTD-HOTGVXAUSA-N 0 3 271.364 2.220 20 30 CEEDHN COC(C)(C)CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180255637 260097467 /nfs/dbraw/zinc/09/74/67/260097467.db2.gz AWBLLMMULZBRDS-UHFFFAOYSA-N 0 3 298.390 2.473 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)Cc1coc2ccccc12 ZINC000449253980 260318681 /nfs/dbraw/zinc/31/86/81/260318681.db2.gz VMROGMXOEFWQJA-GFCCVEGCSA-N 0 3 272.348 2.256 20 30 CEEDHN CC1(C)[C@H](O)C[C@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000128282908 260372731 /nfs/dbraw/zinc/37/27/31/260372731.db2.gz CNSAWTBALIZGAL-GYMHETDLSA-N 0 3 270.376 2.359 20 30 CEEDHN CN(CCC(C)(C)C#N)CC(C)(C)CN1CCOCC1 ZINC000119848779 260660495 /nfs/dbraw/zinc/66/04/95/260660495.db2.gz JVMRSSSLLKADAG-UHFFFAOYSA-N 0 3 281.444 2.216 20 30 CEEDHN C=CCCCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000448384479 261136813 /nfs/dbraw/zinc/13/68/13/261136813.db2.gz QREVFRDBDFHGKM-ZDUSSCGKSA-N 0 3 267.417 2.324 20 30 CEEDHN C#CCN(C(=O)N[C@H](C)C1=CCN(C)CC1)C1CCCC1 ZINC000490937391 261256629 /nfs/dbraw/zinc/25/66/29/261256629.db2.gz UOANTJUZTBNKMF-CQSZACIVSA-N 0 3 289.423 2.224 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](c1cccnc1)C1CCCCC1 ZINC000363644828 261322015 /nfs/dbraw/zinc/32/20/15/261322015.db2.gz KHEKQUZVFBWEIZ-RHSMWYFYSA-N 0 3 299.418 2.431 20 30 CEEDHN C#C[C@H](CCC)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000491231231 261381933 /nfs/dbraw/zinc/38/19/33/261381933.db2.gz RISLRZFCNHTDJD-UKRRQHHQSA-N 0 3 277.412 2.104 20 30 CEEDHN CC[C@H](CC#N)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000184080706 262007460 /nfs/dbraw/zinc/00/74/60/262007460.db2.gz FJTGIAKLDIKAHG-CYBMUJFWSA-N 0 3 275.352 2.166 20 30 CEEDHN C=CC[C@@H](C)NCc1ccc(S(C)(=O)=O)s1 ZINC000309748292 262011247 /nfs/dbraw/zinc/01/12/47/262011247.db2.gz JUHAGRLYLJFYQD-SECBINFHSA-N 0 3 259.396 2.206 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC2(CCCC2)CC1 ZINC000491782130 262041976 /nfs/dbraw/zinc/04/19/76/262041976.db2.gz HITOHZRZXIFLJK-UHFFFAOYSA-N 0 3 291.439 2.307 20 30 CEEDHN C=CCCCN1CCSC[C@H]1c1cnn(C)c1 ZINC000191191218 262190042 /nfs/dbraw/zinc/19/00/42/262190042.db2.gz BVARALMOVJPWJI-ZDUSSCGKSA-N 0 3 251.399 2.476 20 30 CEEDHN C[C@@H]1C[C@@H]1CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000488303406 262308094 /nfs/dbraw/zinc/30/80/94/262308094.db2.gz ZAIKQNFWSYKVHW-CHWSQXEVSA-N 0 3 273.355 2.475 20 30 CEEDHN C(#Cc1ccccc1)CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000365252243 262355353 /nfs/dbraw/zinc/35/53/53/262355353.db2.gz APJUFPADAVIIGD-SJORKVTESA-N 0 3 255.361 2.397 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(C2CCCCC2)CC1 ZINC000163249162 262394444 /nfs/dbraw/zinc/39/44/44/262394444.db2.gz HMJDTFMYXVOPKJ-MRXNPFEDSA-N 0 3 266.429 2.264 20 30 CEEDHN C=C(Cl)CNC1CCN(c2ccccn2)CC1 ZINC000163372329 262399769 /nfs/dbraw/zinc/39/97/69/262399769.db2.gz YMRKQEFZMGHPJM-UHFFFAOYSA-N 0 3 251.761 2.393 20 30 CEEDHN Cc1ccc(C2CCN(CCOCCC#N)CC2)cn1 ZINC000339080564 262594748 /nfs/dbraw/zinc/59/47/48/262594748.db2.gz BZNVGXVPAMWWBB-UHFFFAOYSA-N 0 3 273.380 2.500 20 30 CEEDHN C[C@@H](NCCOCCC#N)c1ccc2n[nH]cc2c1 ZINC000339194594 262615201 /nfs/dbraw/zinc/61/52/01/262615201.db2.gz FWTNUHDXTNCJST-LLVKDONJSA-N 0 3 258.325 2.144 20 30 CEEDHN C[C@@H](CCC#N)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000411724110 262705251 /nfs/dbraw/zinc/70/52/51/262705251.db2.gz YGHLQURTRCKYBJ-QWRGUYRKSA-N 0 3 264.291 2.458 20 30 CEEDHN CC(C)(C#N)CCCN[C@](C)(C(N)=O)c1ccccc1 ZINC000266916309 262921583 /nfs/dbraw/zinc/92/15/83/262921583.db2.gz NCIGPGJVUCENJG-INIZCTEOSA-N 0 3 273.380 2.307 20 30 CEEDHN CC1(C#N)CCN(C[C@@H](O)Cc2ccccc2)CC1 ZINC000272615256 263007519 /nfs/dbraw/zinc/00/75/19/263007519.db2.gz SZCUBPBEIGXVLT-HNNXBMFYSA-N 0 3 258.365 2.216 20 30 CEEDHN C[C@H](NCCCC#N)c1cccc(N2CCOCC2)c1 ZINC000273295865 263014947 /nfs/dbraw/zinc/01/49/47/263014947.db2.gz TVDLGFRPKDWXGC-AWEZNQCLSA-N 0 3 273.380 2.478 20 30 CEEDHN Cn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CCC[C@H](C#N)C1 ZINC000278443931 263047974 /nfs/dbraw/zinc/04/79/74/263047974.db2.gz WODJSVXHUQCLAO-AJNGGQMLSA-N 0 3 288.395 2.312 20 30 CEEDHN C[C@H]1CSCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280248295 263060047 /nfs/dbraw/zinc/06/00/47/263060047.db2.gz BUTSQWMXQJJZMT-WFASDCNBSA-N 0 3 299.399 2.204 20 30 CEEDHN C[C@@H]1CCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280256216 263060117 /nfs/dbraw/zinc/06/01/17/263060117.db2.gz CDVQIXQBYISGTD-DOMZBBRYSA-N 0 3 267.332 2.251 20 30 CEEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCC1 ZINC000280358119 263060688 /nfs/dbraw/zinc/06/06/88/263060688.db2.gz ISQOUROEVZOFPG-CQSZACIVSA-N 0 3 267.332 2.251 20 30 CEEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H]1C ZINC000280621432 263063336 /nfs/dbraw/zinc/06/33/36/263063336.db2.gz YEZDDFZNSYQISM-DVOMOZLQSA-N 0 3 281.359 2.497 20 30 CEEDHN CC(C#N)C(=O)N1CCN([C@H](C)c2ccsc2)CC1 ZINC000336561383 263086050 /nfs/dbraw/zinc/08/60/50/263086050.db2.gz ISIZEWZUYVMBRT-VXGBXAGGSA-N 0 3 277.393 2.113 20 30 CEEDHN CCN1CCN(Cc2ccc(OCC#N)cc2)[C@@H](C)C1 ZINC000286412988 263098370 /nfs/dbraw/zinc/09/83/70/263098370.db2.gz HZCBTBQOWDTCAI-AWEZNQCLSA-N 0 3 273.380 2.115 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000341459911 263336600 /nfs/dbraw/zinc/33/66/00/263336600.db2.gz HXJYNMLKZNIQKP-CABCVRRESA-N 0 3 297.443 2.093 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000341519138 263340726 /nfs/dbraw/zinc/34/07/26/263340726.db2.gz MWWWOHYBBBMSEF-HZSPNIEDSA-N 0 3 267.417 2.465 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CC[C@H](N2CCCC2)C1)OCC ZINC000366737982 263342734 /nfs/dbraw/zinc/34/27/34/263342734.db2.gz GTLGFWFODIEDHD-GJZGRUSLSA-N 0 3 280.412 2.054 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000342007422 263377170 /nfs/dbraw/zinc/37/71/70/263377170.db2.gz SQLIRKWZPCQXOY-JSGCOSHPSA-N 0 3 270.442 2.142 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@]2(C1)CCCOC2 ZINC000341993483 263381821 /nfs/dbraw/zinc/38/18/21/263381821.db2.gz QUFSAJIQKNNFRW-DOTOQJQBSA-N 0 3 294.439 2.302 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@]2(C1)CCCOC2 ZINC000341993485 263381950 /nfs/dbraw/zinc/38/19/50/263381950.db2.gz QUFSAJIQKNNFRW-NVXWUHKLSA-N 0 3 294.439 2.302 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@]2(C1)CCCOC2 ZINC000341993489 263382414 /nfs/dbraw/zinc/38/24/14/263382414.db2.gz QUFSAJIQKNNFRW-WBVHZDCISA-N 0 3 294.439 2.302 20 30 CEEDHN N#Cc1c(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cn2ccccc12 ZINC000398897620 269947974 /nfs/dbraw/zinc/94/79/74/269947974.db2.gz LHBPTKWWAPQMAP-SQWLQELKSA-N 0 3 295.386 2.404 20 30 CEEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C1(C#N)CCCC1 ZINC000334333659 263596816 /nfs/dbraw/zinc/59/68/16/263596816.db2.gz VDDQNBUAWACDNV-UONOGXRCSA-N 0 3 275.396 2.156 20 30 CEEDHN Cc1cnc(CNC(=O)C2CCN(C3CC3)CC2)o1 ZINC000328763432 263857603 /nfs/dbraw/zinc/85/76/03/263857603.db2.gz OFMFTLARLQAVIC-UHFFFAOYSA-N 0 3 263.341 2.314 20 30 CEEDHN Cc1nc(C[C@@H]2CCCN([C@H]3CC[C@@H](C#N)C3)C2)no1 ZINC000328826294 263869842 /nfs/dbraw/zinc/86/98/42/263869842.db2.gz JFNWPCMJNKSGEF-RDBSUJKOSA-N 0 3 274.368 2.325 20 30 CEEDHN CCN1CCC(NC(=O)N[C@@H](C)CC(C)(C)OC)CC1 ZINC000330911924 264076426 /nfs/dbraw/zinc/07/64/26/264076426.db2.gz ZGVQVCWUERWAEN-LBPRGKRZSA-N 0 3 285.432 2.178 20 30 CEEDHN C=CCn1cc(CNCCCc2ccc3c(c2)CCO3)nn1 ZINC000425361702 264148843 /nfs/dbraw/zinc/14/88/43/264148843.db2.gz ZXHFEFQCFAVQDV-UHFFFAOYSA-N 0 3 298.390 2.121 20 30 CEEDHN CC[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCO1 ZINC000331193300 264157975 /nfs/dbraw/zinc/15/79/75/264157975.db2.gz MFSFUWHNCYJXQD-JKSUJKDBSA-N 0 3 286.375 2.396 20 30 CEEDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN(C)C1 ZINC000331334336 264192769 /nfs/dbraw/zinc/19/27/69/264192769.db2.gz WPWAVZUYUCEEKV-NSHDSACASA-N 0 3 277.324 2.160 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCC1(CC#N)CC1 ZINC000430688331 264358714 /nfs/dbraw/zinc/35/87/14/264358714.db2.gz WRUNPRYODWHFMG-OKILXGFUSA-N 0 3 292.427 2.242 20 30 CEEDHN N#Cc1cccc(CNC2(CO)CCSCC2)c1F ZINC000459699652 269986695 /nfs/dbraw/zinc/98/66/95/269986695.db2.gz ORLBWOGFZCVQKH-UHFFFAOYSA-N 0 3 280.368 2.045 20 30 CEEDHN C=CCOc1ccc(CN(C)C[C@H](C)O)cc1OC ZINC000185217091 265000194 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ZINC000357917692 266384830 /nfs/dbraw/zinc/38/48/30/266384830.db2.gz QVUDNORVZJKEFX-KWCYVHTRSA-N 0 3 258.321 2.040 20 30 CEEDHN CC(C)C1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000439634030 266894410 /nfs/dbraw/zinc/89/44/10/266894410.db2.gz MYILWDJQJARWHX-AWEZNQCLSA-N 0 3 271.364 2.110 20 30 CEEDHN CCOc1cccc(CNC(=O)C(C)C#N)c1OC(F)F ZINC000362549157 267006247 /nfs/dbraw/zinc/00/62/47/267006247.db2.gz CEGLZFVYCFHZPE-SECBINFHSA-N 0 3 298.289 2.463 20 30 CEEDHN N#CCCCN1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000367530927 267097613 /nfs/dbraw/zinc/09/76/13/267097613.db2.gz KHWNCRWLOUBGSZ-CVEARBPZSA-N 0 3 258.365 2.388 20 30 CEEDHN C=CCC[C@H](O)CN1CC=C(c2cccnc2)CC1 ZINC000367928817 267128706 /nfs/dbraw/zinc/12/87/06/267128706.db2.gz GSSXBPKZLNGBTP-INIZCTEOSA-N 0 3 258.365 2.498 20 30 CEEDHN C#Cc1ccc(CN2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)cc1 ZINC000368015211 267135027 /nfs/dbraw/zinc/13/50/27/267135027.db2.gz CCEPLIFFBNNSFO-BBWFWOEESA-N 0 3 282.387 2.286 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2cccc(C#N)c2)[C@H]1n1cccn1 ZINC000521470316 267150757 /nfs/dbraw/zinc/15/07/57/267150757.db2.gz KOGPROMHEDJFSD-BRWVUGGUSA-N 0 3 296.374 2.263 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000368666068 267196607 /nfs/dbraw/zinc/19/66/07/267196607.db2.gz JWVVJLFKJCPZFO-FZMZJTMJSA-N 0 3 269.364 2.007 20 30 CEEDHN CC[C@](C)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)OC ZINC000452742181 267238366 /nfs/dbraw/zinc/23/83/66/267238366.db2.gz QJDYUZHLGULFLH-NVXWUHKLSA-N 0 3 299.374 2.172 20 30 CEEDHN CC#CCN1CCC(C(=O)N(C)c2ccccc2)CC1 ZINC000369625432 267255260 /nfs/dbraw/zinc/25/52/60/267255260.db2.gz JZIVEVYRFTUGKR-UHFFFAOYSA-N 0 3 270.376 2.385 20 30 CEEDHN C[C@H]1CCN(Cc2ccccc2)CCN1CCC#N ZINC000370010927 267283305 /nfs/dbraw/zinc/28/33/05/267283305.db2.gz OLHLWFWBVDQLHZ-HNNXBMFYSA-N 0 3 257.381 2.496 20 30 CEEDHN CN(C)Cc1cccc(NC(=O)c2ccc(C#N)n2C)c1 ZINC000448686563 267283663 /nfs/dbraw/zinc/28/36/63/267283663.db2.gz JRJVYTHSIXWTAX-UHFFFAOYSA-N 0 3 282.347 2.211 20 30 CEEDHN CN(C)Cc1ccc(NC(=O)c2ccc(C#N)cn2)cc1 ZINC000521683075 267284346 /nfs/dbraw/zinc/28/43/46/267284346.db2.gz NIYRCTPUZVBAKS-UHFFFAOYSA-N 0 3 280.331 2.267 20 30 CEEDHN CN(C)[C@H]1CCCN(C(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000491447927 267288772 /nfs/dbraw/zinc/28/87/72/267288772.db2.gz GABJZLOCXQWCME-YDZSZYSISA-N 0 3 283.375 2.124 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000370091562 267290333 /nfs/dbraw/zinc/29/03/33/267290333.db2.gz KMMQJXPDAKNUFL-KLHDSHLOSA-N 0 3 292.423 2.053 20 30 CEEDHN CN(Cc1ccc(C#N)c(F)c1)CC(C)(C)CO ZINC000451246411 267311350 /nfs/dbraw/zinc/31/13/50/267311350.db2.gz APWXEDABCVUENC-UHFFFAOYSA-N 0 3 250.317 2.148 20 30 CEEDHN C=C[C@H](C)N[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000119336349 267322335 /nfs/dbraw/zinc/32/23/35/267322335.db2.gz AHWHPQOZRZJUNW-WDEREUQCSA-N 0 3 268.382 2.283 20 30 CEEDHN C=C[C@@H](C)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000119339363 267322452 /nfs/dbraw/zinc/32/24/52/267322452.db2.gz WFDURODTHARFRP-NXEZZACHSA-N 0 3 271.357 2.454 20 30 CEEDHN COC(=O)CC1(NCc2ccc(F)c(C#N)c2)CCC1 ZINC000459391890 267359971 /nfs/dbraw/zinc/35/99/71/267359971.db2.gz SAWNMVLDTFQNIP-UHFFFAOYSA-N 0 3 276.311 2.273 20 30 CEEDHN CO[C@H]1C[C@H](NCC(=O)Nc2ccc(C#N)cc2)C12CCC2 ZINC000459775548 267550587 /nfs/dbraw/zinc/55/05/87/267550587.db2.gz VBNQFGGUNVNVGY-GJZGRUSLSA-N 0 3 299.374 2.044 20 30 CEEDHN Cc1oc([N-]C(=O)C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c(C#N)c1C ZINC000459791159 268104566 /nfs/dbraw/zinc/10/45/66/268104566.db2.gz SNKMLOCWRFLAOL-DYEKYZERSA-N 0 3 287.363 2.485 20 30 CEEDHN Cc1oc(NC(=O)CN[C@H]2CCC[C@@H]3C[C@@H]32)c(C#N)c1C ZINC000459791159 268104567 /nfs/dbraw/zinc/10/45/67/268104567.db2.gz SNKMLOCWRFLAOL-DYEKYZERSA-N 0 3 287.363 2.485 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)o1 ZINC000449471162 268219722 /nfs/dbraw/zinc/21/97/22/268219722.db2.gz OKZQPNQYDMQEAL-RRFJBIMHSA-N 0 3 260.337 2.277 20 30 CEEDHN CC[C@@H](O)CCCNCc1ccc(C#N)c(OC)c1 ZINC000398460589 270358804 /nfs/dbraw/zinc/35/88/04/270358804.db2.gz ITTLDURHXHVXNA-CQSZACIVSA-N 0 3 262.353 2.208 20 30 CEEDHN CCC[C@H](C)C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC000421383516 270616647 /nfs/dbraw/zinc/61/66/47/270616647.db2.gz NHEQSTAAQWYBAN-LBPRGKRZSA-N 0 3 291.370 2.339 20 30 CEEDHN C[C@@H](CN(C)C)Nc1cc(C(F)(F)F)cnc1C#N ZINC000413301730 274212565 /nfs/dbraw/zinc/21/25/65/274212565.db2.gz XSOUVPNOJFXJEQ-QMMMGPOBSA-N 0 3 272.274 2.334 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000172068033 274922887 /nfs/dbraw/zinc/92/28/87/274922887.db2.gz FPQCEROIFRETFD-SJORKVTESA-N 0 3 264.328 2.306 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000155225748 275384122 /nfs/dbraw/zinc/38/41/22/275384122.db2.gz KWMLRACCXWHNQR-HRCADAONSA-N 0 3 284.403 2.311 20 30 CEEDHN CNC(=O)C[C@@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000271520504 277231114 /nfs/dbraw/zinc/23/11/14/277231114.db2.gz QIKYEFMSWVXMIV-LLVKDONJSA-N 0 3 298.308 2.171 20 30 CEEDHN COC[C@H](CCO)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360647848 277259998 /nfs/dbraw/zinc/25/99/98/277259998.db2.gz OCFADNUSBWLAAS-RDJZCZTQSA-N 0 3 288.391 2.313 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC2(CCO2)CC1 ZINC000367093522 277770584 /nfs/dbraw/zinc/77/05/84/277770584.db2.gz KZWIPCBYIWTJAP-CQSZACIVSA-N 0 3 280.412 2.054 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)CCF)C(C)C ZINC000297185425 277850275 /nfs/dbraw/zinc/85/02/75/277850275.db2.gz UVCIBTFFLPXTSI-CQSZACIVSA-N 0 3 285.407 2.296 20 30 CEEDHN C[C@H](N[C@@H]1CCO[C@@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000330300231 278275403 /nfs/dbraw/zinc/27/54/03/278275403.db2.gz IJBOHLSOIUWFHV-YNEHKIRRSA-N 0 3 279.384 2.325 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](C)C(C)(C)C1 ZINC000354024513 279172430 /nfs/dbraw/zinc/17/24/30/279172430.db2.gz PZVKZRVKMURFKX-CYBMUJFWSA-N 0 3 265.401 2.117 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@](C)(O)CC1 ZINC000329895481 279267900 /nfs/dbraw/zinc/26/79/00/279267900.db2.gz BWBBNFSTVNLUFP-GDBMZVCRSA-N 0 3 297.443 2.012 20 30 CEEDHN C[S@@](=O)C1(CN[C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353662182 280178577 /nfs/dbraw/zinc/17/85/77/280178577.db2.gz MHYYOXZSVFANPY-IFXJQAMLSA-N 0 3 274.389 2.046 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000331630104 280324464 /nfs/dbraw/zinc/32/44/64/280324464.db2.gz HWOYEVBGYJWNLW-KYOSRNDESA-N 0 3 263.385 2.058 20 30 CEEDHN COc1cc(C)cnc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000330226568 533691703 /nfs/dbraw/zinc/69/17/03/533691703.db2.gz UNHIFCNXZNRVCV-LBPRGKRZSA-N 0 3 289.379 2.354 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346247839 288384156 /nfs/dbraw/zinc/38/41/56/288384156.db2.gz WNUTXDMFIVWCLX-TTZDDIAXSA-N 0 3 277.412 2.115 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000350088099 288385321 /nfs/dbraw/zinc/38/53/21/288385321.db2.gz UXXFRTTXWPLYML-IXYNUQLISA-N 0 3 279.428 2.409 20 30 CEEDHN C[C@H](Nc1cnc(C#N)cn1)[C@@H](c1ccccc1)N(C)C ZINC000280657365 290063818 /nfs/dbraw/zinc/06/38/18/290063818.db2.gz AYWOGVULBCLBLK-LRDDRELGSA-N 0 3 281.363 2.452 20 30 CEEDHN C[C@@H](NC1(C2CC2)CC1)C(=O)Nc1cccc(C#N)c1 ZINC000542526661 298292195 /nfs/dbraw/zinc/29/21/95/298292195.db2.gz PKEKFSAOBQONCK-LLVKDONJSA-N 0 3 269.348 2.417 20 30 CEEDHN C[C@H](CNC(=O)c1ccc(Cl)c(C#N)c1)N(C)C1CC1 ZINC000544639023 298325869 /nfs/dbraw/zinc/32/58/69/298325869.db2.gz YTAQXECQROUXJC-SNVBAGLBSA-N 0 3 291.782 2.424 20 30 CEEDHN CC1(C)CC(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000548031153 298386456 /nfs/dbraw/zinc/38/64/56/298386456.db2.gz SXNHYHQBTPKHCQ-CQSZACIVSA-N 0 3 271.364 2.110 20 30 CEEDHN CC1(C)[C@@H](O)C[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000570939233 327637328 /nfs/dbraw/zinc/63/73/28/327637328.db2.gz FYKUAHUIUOZDRD-KBPBESRZSA-N 0 3 263.768 2.441 20 30 CEEDHN CC(C)=CCNC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000582236539 328837455 /nfs/dbraw/zinc/83/74/55/328837455.db2.gz AFGFDASWDCLPFA-OAHLLOKOSA-N 0 3 274.364 2.048 20 30 CEEDHN CO[C@@]1(C)C[C@H](NCc2cnc3ccc(C#N)cn23)C1(C)C ZINC000174132881 312687035 /nfs/dbraw/zinc/68/70/35/312687035.db2.gz PVYLBVHZRJMMOK-YOEHRIQHSA-N 0 3 298.390 2.499 20 30 CEEDHN CSCC[C@H](C)N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000569605265 314003345 /nfs/dbraw/zinc/00/33/45/314003345.db2.gz JBNYZXZHYBIWOF-NSHDSACASA-N 0 3 289.408 2.174 20 30 CEEDHN CCC[C@@H](C)N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000573207312 314145211 /nfs/dbraw/zinc/14/52/11/314145211.db2.gz JZNWQZAHKOQARL-LLVKDONJSA-N 0 3 257.341 2.221 20 30 CEEDHN Cc1csc(NC(=O)N(C)C[C@H]2CCCN2C)c1C#N ZINC000573383151 314155388 /nfs/dbraw/zinc/15/53/88/314155388.db2.gz JDQZNCBEFBXCHA-LLVKDONJSA-N 0 3 292.408 2.486 20 30 CEEDHN N#Cc1cncnc1NC[C@H](c1cccs1)N1CCCC1 ZINC000573881596 314178315 /nfs/dbraw/zinc/17/83/15/314178315.db2.gz UXOINIXVZCQCNL-CYBMUJFWSA-N 0 3 299.403 2.081 20 30 CEEDHN Cc1cc(CN[C@H]2CC(=O)N3CCCC[C@@H]23)ccc1C#N ZINC000578526173 314490498 /nfs/dbraw/zinc/49/04/98/314490498.db2.gz XPPYZKKMNGHPQC-HOTGVXAUSA-N 0 3 283.375 2.110 20 30 CEEDHN C#C[C@H](NCc1cc(-c2cccnc2)n[nH]1)C(C)C ZINC000367723662 327896078 /nfs/dbraw/zinc/89/60/78/327896078.db2.gz UFVQWKRQKFLUEH-AWEZNQCLSA-N 0 3 254.337 2.219 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)CC(=O)c1ccc(F)cc1 ZINC000347508624 533702301 /nfs/dbraw/zinc/70/23/01/533702301.db2.gz HYAPARIRHCYTCX-VHSXEESVSA-N 0 3 262.284 2.063 20 30 CEEDHN C=C(C)[C@@H](CC(=O)NC[C@H]1CCCCN1CC)OCC ZINC000339365198 328008285 /nfs/dbraw/zinc/00/82/85/328008285.db2.gz ZQTUQRQZTNPMBE-HUUCEWRRSA-N 0 3 282.428 2.348 20 30 CEEDHN CN1CCN(C)c2cc(NC[C@@H](C#N)CCC#N)ccc2C1 ZINC000563618416 328077522 /nfs/dbraw/zinc/07/75/22/328077522.db2.gz VJBZOCUIPRRNFT-CQSZACIVSA-N 0 3 297.406 2.424 20 30 CEEDHN N#CCC[C@@H](C#N)CNC[C@@H](CO)CC1CCCC1 ZINC000571166278 328090110 /nfs/dbraw/zinc/09/01/10/328090110.db2.gz WUDAVKMXCHZJIK-GJZGRUSLSA-N 0 3 263.385 2.208 20 30 CEEDHN N=C(NCC1(O)CCCCC1)Nc1cc(F)ccc1F ZINC000262334962 328149336 /nfs/dbraw/zinc/14/93/36/328149336.db2.gz ZBZDGCLUYUSYFS-UHFFFAOYSA-N 0 3 283.322 2.387 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cccc2c1OC(F)(F)O2 ZINC000414466258 328183280 /nfs/dbraw/zinc/18/32/80/328183280.db2.gz ZRSFJJKTPDGRSC-NSHDSACASA-N 0 3 285.290 2.425 20 30 CEEDHN C=CCC[C@H](CO)NCc1cccc2c1OC(F)(F)O2 ZINC000414466257 328183396 /nfs/dbraw/zinc/18/33/96/328183396.db2.gz ZRSFJJKTPDGRSC-LLVKDONJSA-N 0 3 285.290 2.425 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@H](C(=O)N(C)C)C1 ZINC000414493146 328187822 /nfs/dbraw/zinc/18/78/22/328187822.db2.gz BMLFVIIFASXNCI-HNNXBMFYSA-N 0 3 288.391 2.162 20 30 CEEDHN CNC(=O)c1ccc(CN(C)[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000278720612 328230155 /nfs/dbraw/zinc/23/01/55/328230155.db2.gz VBQXHRDAMMHYRB-DZGCQCFKSA-N 0 3 271.364 2.170 20 30 CEEDHN C#CCN(CC#N)C(=O)c1oc2ccccc2c1CN(C)C ZINC000281018709 328238090 /nfs/dbraw/zinc/23/80/90/328238090.db2.gz AKFYQTBKLFPHAE-UHFFFAOYSA-N 0 3 295.342 2.093 20 30 CEEDHN CN(C(=O)[C@@H]1CCN(CCCC#N)C1)c1ccccc1 ZINC000281123177 328238742 /nfs/dbraw/zinc/23/87/42/328238742.db2.gz NVVWWCPUQDTOBH-CQSZACIVSA-N 0 3 271.364 2.275 20 30 CEEDHN CN(C)[C@@H]1CCOc2c(Nc3nccnc3C#N)cccc21 ZINC000580514649 322322080 /nfs/dbraw/zinc/32/20/80/322322080.db2.gz GRRWGWPRMXEHDO-CQSZACIVSA-N 0 3 295.346 2.477 20 30 CEEDHN CCCN(Cc1cnc2c(C#N)cnn2c1)CC(C)C ZINC000580551982 322325639 /nfs/dbraw/zinc/32/56/39/322325639.db2.gz GSUOZWQXTGREGZ-UHFFFAOYSA-N 0 3 271.368 2.469 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CCC[C@H](N(C)C)C1 ZINC000341468229 328411811 /nfs/dbraw/zinc/41/18/11/328411811.db2.gz RYQTWXHTCLJMBK-STQMWFEESA-N 0 3 253.390 2.077 20 30 CEEDHN Cc1cc(CN2CCC(C#N)CC2)ccc1-n1cncn1 ZINC000123668098 328455133 /nfs/dbraw/zinc/45/51/33/328455133.db2.gz VGYZVDUBEKSIGZ-UHFFFAOYSA-N 0 3 281.363 2.311 20 30 CEEDHN N#C[C@H]1CC[C@@H](NC[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000565534618 326950255 /nfs/dbraw/zinc/95/02/55/326950255.db2.gz BVCFBBJWDKRMNQ-IACUBPJLSA-N 0 3 294.782 2.362 20 30 CEEDHN CO[C@H]1C[C@@H](N(C)C(=O)C(C#N)CCc2ccccc2)C1 ZINC000557444358 327005695 /nfs/dbraw/zinc/00/56/95/327005695.db2.gz RJWDUIPELDQTEL-HRCADAONSA-N 0 3 286.375 2.395 20 30 CEEDHN CC1CC(C#N)(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000557836708 327030395 /nfs/dbraw/zinc/03/03/95/327030395.db2.gz AUOOMJKBAPMJAY-UUCFBXCCSA-N 0 3 289.423 2.259 20 30 CEEDHN CCN(CCC#N)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000343811817 327035071 /nfs/dbraw/zinc/03/50/71/327035071.db2.gz ZTWVHNORKDJVNM-UPJWGTAASA-N 0 3 251.374 2.010 20 30 CEEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1cc(C)nn1CCC#N ZINC000574436132 327332597 /nfs/dbraw/zinc/33/25/97/327332597.db2.gz ZJPRHHHEMNTQIC-LBPRGKRZSA-N 0 3 291.399 2.210 20 30 CEEDHN C=CC(C)(C)CNC(=O)CCN(C)c1ccncc1 ZINC000570257232 327579434 /nfs/dbraw/zinc/57/94/34/327579434.db2.gz YDEUFITXJANGPN-UHFFFAOYSA-N 0 3 261.369 2.236 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC2(C3CC3)CC2)CC1 ZINC000532134810 328701107 /nfs/dbraw/zinc/70/11/07/328701107.db2.gz AUZQQEILQAFJSZ-UHFFFAOYSA-N 0 3 277.412 2.269 20 30 CEEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000358318097 328881717 /nfs/dbraw/zinc/88/17/17/328881717.db2.gz LUMVTCAQKXGWES-MNOVXSKESA-N 0 3 283.393 2.324 20 30 CEEDHN C#CCCOc1ccc(CN2CC[C@@H](n3cncn3)C2)cc1 ZINC000377282174 329009705 /nfs/dbraw/zinc/00/97/05/329009705.db2.gz BPIMKGBBCCLOMY-MRXNPFEDSA-N 0 3 296.374 2.127 20 30 CEEDHN C=CCNC(=O)N[C@H]1c2ccccc2CC[C@H]1N(C)C ZINC000377690762 329024902 /nfs/dbraw/zinc/02/49/02/329024902.db2.gz ABEBEAPZLAIHEQ-CABCVRRESA-N 0 3 273.380 2.089 20 30 CEEDHN C[C@H](CNC(=O)NCCCCC#N)N1CCC(C)CC1 ZINC000171434051 329075853 /nfs/dbraw/zinc/07/58/53/329075853.db2.gz HIEOTUKWOXZDRC-CQSZACIVSA-N 0 3 280.416 2.100 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@@H](C)C(C)C)CC1 ZINC000171715312 329078990 /nfs/dbraw/zinc/07/89/90/329078990.db2.gz HIAGLPGAAOYMAG-CYBMUJFWSA-N 0 3 252.402 2.435 20 30 CEEDHN CC(C)N(C)CC(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000172025112 329083268 /nfs/dbraw/zinc/08/32/68/329083268.db2.gz JLEQOPMWASQZGP-ZDUSSCGKSA-N 0 3 279.771 2.361 20 30 CEEDHN CC#CCN1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000172720840 329138190 /nfs/dbraw/zinc/13/81/90/329138190.db2.gz NEXSKSIAXGGVLG-UHFFFAOYSA-N 0 3 286.375 2.369 20 30 CEEDHN C=CCOCCCC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000173031960 329142361 /nfs/dbraw/zinc/14/23/61/329142361.db2.gz SCUJLSSDVPRVKN-INIZCTEOSA-N 0 3 294.439 2.446 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)C2(C)CC2)CC1 ZINC000176500192 329175319 /nfs/dbraw/zinc/17/53/19/329175319.db2.gz AUPPJVIEYOIMIA-ZDUSSCGKSA-N 0 3 279.428 2.467 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)C2(C#N)CCCCC2)CN1C1CC1 ZINC000177212824 329181996 /nfs/dbraw/zinc/18/19/96/329181996.db2.gz ICIKFMDZESBAHO-CHWSQXEVSA-N 0 3 275.396 2.202 20 30 CEEDHN C=CCSCC[NH2+]Cc1cccc(OC)c1[O-] ZINC000222056327 329219795 /nfs/dbraw/zinc/21/97/95/329219795.db2.gz XNKVYEIZJQVXIO-UHFFFAOYSA-N 0 3 253.367 2.410 20 30 CEEDHN C=C(C)CN(C)Cc1cn(C)nc1-c1cccnc1 ZINC000181048108 329225353 /nfs/dbraw/zinc/22/53/53/329225353.db2.gz IVGNEADPAUDWCN-UHFFFAOYSA-N 0 3 256.353 2.490 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCO[C@H](CC)C2)CC1 ZINC000183677872 329249413 /nfs/dbraw/zinc/24/94/13/329249413.db2.gz NGXORCAVMDYCJU-GOEBONIOSA-N 0 3 294.439 2.348 20 30 CEEDHN CC(C)[C@@H]1C[C@H](CNC[C@@H](C#N)CCC#N)CCO1 ZINC000582954299 329293356 /nfs/dbraw/zinc/29/33/56/329293356.db2.gz LZIGZTVOGYGNJC-KFWWJZLASA-N 0 3 263.385 2.471 20 30 CEEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)N1CCCC[C@H]1C ZINC000185809738 329329670 /nfs/dbraw/zinc/32/96/70/329329670.db2.gz WKKBFNXIQOQSBL-CBBWQLFWSA-N 0 3 277.412 2.448 20 30 CEEDHN C[C@H](NCC(=O)NCC#N)C1(c2ccccc2)CCCC1 ZINC000185959275 329333163 /nfs/dbraw/zinc/33/31/63/329333163.db2.gz ODQTVJWASDWIMX-AWEZNQCLSA-N 0 3 285.391 2.116 20 30 CEEDHN N#C[C@H]1CCC[C@H](NCc2ccc(-n3cncn3)cc2)C1 ZINC000185850277 329333369 /nfs/dbraw/zinc/33/33/69/329333369.db2.gz ACKLLWZYEGYWPF-GJZGRUSLSA-N 0 3 281.363 2.439 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)C1(C#N)CCCCC1 ZINC000186744028 329348232 /nfs/dbraw/zinc/34/82/32/329348232.db2.gz ZBAUJFKQNCLIOC-UHFFFAOYSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@H](NC[C@@H](O)CN(C)CCC#N)c1ccccc1Cl ZINC000584464809 329495832 /nfs/dbraw/zinc/49/58/32/329495832.db2.gz JHQJSULJYQGJHK-QWHCGFSZSA-N 0 3 295.814 2.197 20 30 CEEDHN C=C[C@](C)(CC)C(=O)NC1CCN(CCCOC)CC1 ZINC000135010002 329662471 /nfs/dbraw/zinc/66/24/71/329662471.db2.gz VMQWXLOMRLDTDN-MRXNPFEDSA-N 0 3 282.428 2.206 20 30 CEEDHN CC(C)(C)N1C[C@H](N[C@@H]2CCC[C@@H](C#N)C2)CC1=O ZINC000248707390 329897580 /nfs/dbraw/zinc/89/75/80/329897580.db2.gz AWJUKZDBFJMIDI-JHJVBQTASA-N 0 3 263.385 2.058 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000320276581 329950598 /nfs/dbraw/zinc/95/05/98/329950598.db2.gz NGRIMBBKCCTZEV-RISCZKNCSA-N 0 3 277.364 2.045 20 30 CEEDHN C=CCOCCN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000272558972 330087198 /nfs/dbraw/zinc/08/71/98/330087198.db2.gz NKIACDKWPHJSIC-CYBMUJFWSA-N 0 3 290.363 2.496 20 30 CEEDHN C=CCN(CCc1ccco1)CCC1OCCO1 ZINC000274430075 330105746 /nfs/dbraw/zinc/10/57/46/330105746.db2.gz GNTMYTOPSMPXAB-UHFFFAOYSA-N 0 3 251.326 2.073 20 30 CEEDHN C=CCOc1ccc(CN[C@H](C)CC(=O)N(C)C)cc1 ZINC000287761899 330110593 /nfs/dbraw/zinc/11/05/93/330110593.db2.gz ZWCKPUPGHDFQMD-CYBMUJFWSA-N 0 3 276.380 2.208 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCCc1ccc(Cl)s1 ZINC000424095278 330226612 /nfs/dbraw/zinc/22/66/12/330226612.db2.gz WZSKZLWRPIACCG-JTQLQIEISA-N 0 3 285.800 2.081 20 30 CEEDHN CCCOc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424099899 330232812 /nfs/dbraw/zinc/23/28/12/330232812.db2.gz NCBGUHZIVOSVHA-CQSZACIVSA-N 0 3 275.352 2.435 20 30 CEEDHN C[C@H](c1ccccc1F)N(C)C(=O)[C@H](N)CCCC#N ZINC000424104934 330234171 /nfs/dbraw/zinc/23/41/71/330234171.db2.gz VIOVSTVHXDNGTQ-BXUZGUMPSA-N 0 3 277.343 2.366 20 30 CEEDHN Cc1cccc2[nH]cc(CCNC(=O)[C@H](N)CCCC#N)c21 ZINC000424112582 330240983 /nfs/dbraw/zinc/24/09/83/330240983.db2.gz KFIZMMMVSQFNKJ-CQSZACIVSA-N 0 3 298.390 2.156 20 30 CEEDHN C[C@@H](CCC(C)(C)C)NC(=O)[C@H](N)CCCC#N ZINC000424119736 330247681 /nfs/dbraw/zinc/24/76/81/330247681.db2.gz GEYPFBZVCAQFHM-NWDGAFQWSA-N 0 3 253.390 2.339 20 30 CEEDHN Cc1cccc([C@@H](C)CNC(=O)[C@H](N)CCCC#N)c1 ZINC000424125583 330258703 /nfs/dbraw/zinc/25/87/03/330258703.db2.gz OCZUNFXSAUMMNA-DZGCQCFKSA-N 0 3 273.380 2.236 20 30 CEEDHN CCC1(CNC(=O)[C@H](N)CCCC#N)CCCC1 ZINC000424127298 330259283 /nfs/dbraw/zinc/25/92/83/330259283.db2.gz QHJBHWAYFUBSGD-GFCCVEGCSA-N 0 3 251.374 2.094 20 30 CEEDHN C=CCn1cc(CN[C@H](C)Cc2ccc(F)cc2)nn1 ZINC000424168470 330310178 /nfs/dbraw/zinc/31/01/78/330310178.db2.gz FXARVVBLTICQIN-GFCCVEGCSA-N 0 3 274.343 2.324 20 30 CEEDHN Cc1cc(CN)cc(NC(=O)N(C)C[C@@H](C)C#N)c1 ZINC000424436353 330351976 /nfs/dbraw/zinc/35/19/76/330351976.db2.gz MJRHWKVBDMWWOP-NSHDSACASA-N 0 3 260.341 2.077 20 30 CEEDHN C=CCC1(C(=O)NCCN2CCCCCC2)CCOCC1 ZINC000424586244 330390247 /nfs/dbraw/zinc/39/02/47/330390247.db2.gz SUTFDKNUFRWZNN-UHFFFAOYSA-N 0 3 294.439 2.352 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC000424656092 330442418 /nfs/dbraw/zinc/44/24/18/330442418.db2.gz XMVMGCJLEBSBCQ-CHWSQXEVSA-N 0 3 268.376 2.281 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(SC)CCC2)CC1 ZINC000426350330 330505228 /nfs/dbraw/zinc/50/52/28/330505228.db2.gz HLAIIMKYMFOOEN-UHFFFAOYSA-N 0 3 268.426 2.039 20 30 CEEDHN N#CCC1(CNCc2ccccc2N2CCOCC2)CC1 ZINC000430025881 330557587 /nfs/dbraw/zinc/55/75/87/330557587.db2.gz YHACFGDMVAWZGG-UHFFFAOYSA-N 0 3 285.391 2.307 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](CC)N(CC)CC ZINC000437520012 330701995 /nfs/dbraw/zinc/70/19/95/330701995.db2.gz BABHNOPPKHHQJI-KFWWJZLASA-N 0 3 282.428 2.204 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CN1CCCCC1 ZINC000437617264 330705158 /nfs/dbraw/zinc/70/51/58/330705158.db2.gz VQPYXYWYIWBHNZ-ZBFHGGJFSA-N 0 3 282.428 2.206 20 30 CEEDHN C=C[C@@H](C)NC(=O)Nc1ccccc1CCN(C)C ZINC000446591484 330850676 /nfs/dbraw/zinc/85/06/76/330850676.db2.gz SJAUIGHPVWINQK-GFCCVEGCSA-N 0 3 261.369 2.487 20 30 CEEDHN C=CCCCN[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000447797852 330877180 /nfs/dbraw/zinc/87/71/80/330877180.db2.gz OJBLYIUXKJLYMR-CYBMUJFWSA-N 0 3 266.772 2.292 20 30 CEEDHN C=CCN(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000162522604 330925436 /nfs/dbraw/zinc/92/54/36/330925436.db2.gz BVRJFGOPJHHFBF-UHFFFAOYSA-N 0 3 297.468 2.175 20 30 CEEDHN C=C(CC)CNCc1cc2c(cc1OCCOC)OCO2 ZINC000449729871 330946045 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CC(C)(C#N)CCN1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451892990 331046363 /nfs/dbraw/zinc/04/63/63/331046363.db2.gz QHBYDYPSNSSTRH-NXEZZACHSA-N 0 3 264.291 2.171 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@]2(CCOC2)C1 ZINC000451898891 331046644 /nfs/dbraw/zinc/04/66/44/331046644.db2.gz JUEOYTKFFLMNDE-DOTOQJQBSA-N 0 3 292.423 2.078 20 30 CEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000452125801 331055253 /nfs/dbraw/zinc/05/52/53/331055253.db2.gz PTDAOAQKPJIQCF-SZXPJGKVSA-N 0 3 297.402 2.315 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N1CCN(C2CC2)C[C@@H](C)C1)OCC ZINC000452173578 331057169 /nfs/dbraw/zinc/05/71/69/331057169.db2.gz NJUOBXZTLIIVJL-GDBMZVCRSA-N 0 3 294.439 2.300 20 30 CEEDHN CN1CC[C@@H]2CN(C(=O)C[C@@H](CC#N)c3ccccc3)C[C@@H]21 ZINC000453021968 331083908 /nfs/dbraw/zinc/08/39/08/331083908.db2.gz ZYWKLLFNTYLRGH-ZACQAIPSSA-N 0 3 297.402 2.236 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000453359156 331122263 /nfs/dbraw/zinc/12/22/63/331122263.db2.gz 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C=C(C)CN(CC)C(=O)CN1CCCCC[C@@H]1C[C@H](C)O ZINC000385064725 336136685 /nfs/dbraw/zinc/13/66/85/336136685.db2.gz BWHQDTYISXMGMV-JKSUJKDBSA-N 0 3 296.455 2.427 20 30 CEEDHN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)CC1CCN(C)CC1 ZINC000330188396 534092364 /nfs/dbraw/zinc/09/23/64/534092364.db2.gz LDCARPJCNODQMP-JQWIXIFHSA-N 0 3 267.373 2.182 20 30 CEEDHN C#CCC(C)(C)C(=O)NCc1ccccc1CN(C)C ZINC000184924736 518243613 /nfs/dbraw/zinc/24/36/13/518243613.db2.gz MNWHBOBSDHYBQQ-UHFFFAOYSA-N 0 3 272.392 2.414 20 30 CEEDHN C#CCN1CCC(C(=O)NCc2sccc2C)CC1 ZINC000049378112 518268046 /nfs/dbraw/zinc/26/80/46/518268046.db2.gz CAOMYDGEZYAYTD-UHFFFAOYSA-N 0 3 276.405 2.018 20 30 CEEDHN CCN(CC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182633118 520867923 /nfs/dbraw/zinc/86/79/23/520867923.db2.gz VWPINXAGSHYGHL-HNNXBMFYSA-N 0 3 271.364 2.395 20 30 CEEDHN Cc1nc2c(s1)[C@@H](N(C)C(=O)C(C)C#N)CCC2 ZINC000334685262 534634761 /nfs/dbraw/zinc/63/47/61/534634761.db2.gz VWVRHYBVNMSSJK-KCJUWKMLSA-N 0 3 263.366 2.447 20 30 CEEDHN N#CCc1cccc(NC(=O)C23CCCN2CCC3)c1 ZINC000334740978 534731331 /nfs/dbraw/zinc/73/13/31/534731331.db2.gz XUDFWUMGGHLKQG-UHFFFAOYSA-N 0 3 269.348 2.320 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H](O)CC1 ZINC000332031673 534740053 /nfs/dbraw/zinc/74/00/53/534740053.db2.gz SDHPWGFZBTXFIL-JKSUJKDBSA-N 0 3 286.375 2.132 20 30 CEEDHN N#Cc1csc(CN2CCN(C3CCCCC3)CC2)n1 ZINC000356047348 534828986 /nfs/dbraw/zinc/82/89/86/534828986.db2.gz AMMLKLXUGUDXJS-UHFFFAOYSA-N 0 3 290.436 2.465 20 30 CEEDHN CC#CCCCC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344711041 526297656 /nfs/dbraw/zinc/29/76/56/526297656.db2.gz NURWANIDGCHOTQ-AWEZNQCLSA-N 0 3 264.413 2.417 20 30 CEEDHN C=CCOCC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000354892508 526687013 /nfs/dbraw/zinc/68/70/13/526687013.db2.gz XOQIVYSIKCUFOG-UHFFFAOYSA-N 0 3 290.407 2.299 20 30 CEEDHN C=CCOCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000354689974 526714471 /nfs/dbraw/zinc/71/44/71/526714471.db2.gz CKDQAIJXXXCRJA-GOEBONIOSA-N 0 3 288.391 2.141 20 30 CEEDHN C=CCOc1ccc(CN[C@@H](CC)Cn2cncn2)cc1 ZINC000353667837 526887963 /nfs/dbraw/zinc/88/79/63/526887963.db2.gz SDMVCYHLMGEBRT-HNNXBMFYSA-N 0 3 286.379 2.411 20 30 CEEDHN C=CC1CCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000336042136 526969791 /nfs/dbraw/zinc/96/97/91/526969791.db2.gz UEIGJOZJLWDZLA-JSGCOSHPSA-N 0 3 265.401 2.077 20 30 CEEDHN C=CCC(C)(C)CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000352539783 527013514 /nfs/dbraw/zinc/01/35/14/527013514.db2.gz CPMXTQNFLMCHQR-OAHLLOKOSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCCC1(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000353823506 527087131 /nfs/dbraw/zinc/08/71/31/527087131.db2.gz HZYRHNAZDIDTBM-UHFFFAOYSA-N 0 3 262.397 2.476 20 30 CEEDHN C=CCCCCCN(C)C(=O)C(N)C(F)(F)F ZINC000352959891 527126164 /nfs/dbraw/zinc/12/61/64/527126164.db2.gz OYGIDIPPMKJWMJ-VIFPVBQESA-N 0 3 252.280 2.081 20 30 CEEDHN Cn1cc(CN[C@@H]2C[C@H](CO)c3ccccc32)cc1C#N ZINC000365149423 527221784 /nfs/dbraw/zinc/22/17/84/527221784.db2.gz XBYPIHFJFSKDIE-CXAGYDPISA-N 0 3 281.359 2.207 20 30 CEEDHN C=CCCOCCCCC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000352591294 527333311 /nfs/dbraw/zinc/33/33/11/527333311.db2.gz RJFAYIFKAGUPOI-CVEARBPZSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCn1cccc1C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000336604141 527382580 /nfs/dbraw/zinc/38/25/80/527382580.db2.gz RARKIHFJYSLSIE-QGZVFWFLSA-N 0 3 287.407 2.232 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1C[C@@H](O)C2(CC2)C1 ZINC000336108455 527499410 /nfs/dbraw/zinc/49/94/10/527499410.db2.gz ZIRAPQHRASYWSS-OAHLLOKOSA-N 0 3 270.376 2.444 20 30 CEEDHN CCOC(=O)C[C@@H](NC(=O)C(C)C#N)c1ccc(F)cc1 ZINC000347031729 528872843 /nfs/dbraw/zinc/87/28/43/528872843.db2.gz FGIWDVXHZFTZQB-ZWNOBZJWSA-N 0 3 292.310 2.096 20 30 CEEDHN CC(C)N1CCC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000333667049 529026590 /nfs/dbraw/zinc/02/65/90/529026590.db2.gz IBCAELSMLZZRLZ-WMLDXEAASA-N 0 3 289.423 2.449 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000352273779 529351708 /nfs/dbraw/zinc/35/17/08/529351708.db2.gz QMFBDFFNCBSCDP-SWLSCSKDSA-N 0 3 263.385 2.059 20 30 CEEDHN CN(C)C[C@H]1CCCN1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000263920629 535956690 /nfs/dbraw/zinc/95/66/90/535956690.db2.gz OORGABATROYRAI-ZNFPLGDCSA-N 0 3 283.375 2.124 20 30 CEEDHN CCC(=O)N[C@@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000747198704 574425991 /nfs/dbraw/zinc/42/59/91/574425991.db2.gz KINGYLXDSJENHT-VHSXEESVSA-N 0 3 293.392 2.357 20 30 CEEDHN C#CCNC(=O)CN[C@@H](C)c1cccc2ccccc21 ZINC000727240038 574449449 /nfs/dbraw/zinc/44/94/49/574449449.db2.gz OGSFCNVLQDMLEG-ZDUSSCGKSA-N 0 3 266.344 2.240 20 30 CEEDHN CCN(CC#N)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000728917362 574473638 /nfs/dbraw/zinc/47/36/38/574473638.db2.gz ALFBHENPGAYCNH-NSHDSACASA-N 0 3 298.371 2.318 20 30 CEEDHN C#CCCN1CCC(NC(=O)CC(C)(C)C)CC1 ZINC000740737796 574478531 /nfs/dbraw/zinc/47/85/31/574478531.db2.gz XHMTVKDJXJJJGF-UHFFFAOYSA-N 0 3 250.386 2.027 20 30 CEEDHN N#CCCNC(=O)CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000729473995 574488670 /nfs/dbraw/zinc/48/86/70/574488670.db2.gz AYAZTPJIWHXQLR-INIZCTEOSA-N 0 3 289.354 2.286 20 30 CEEDHN C=CCN1CCC(NC(=O)c2scnc2Cl)CC1 ZINC000729977178 574497619 /nfs/dbraw/zinc/49/76/19/574497619.db2.gz MMDXUPLOAAWBBW-UHFFFAOYSA-N 0 3 285.800 2.177 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@@H](C)C2CC2)CC1 ZINC000729977708 574497640 /nfs/dbraw/zinc/49/76/40/574497640.db2.gz HCTIIXGYPBYZSS-GFCCVEGCSA-N 0 3 250.386 2.189 20 30 CEEDHN C[C@H]1CC(=Nn2cnnc2-c2ccccc2)CN1C1CC1 ZINC000753957016 574520433 /nfs/dbraw/zinc/52/04/33/574520433.db2.gz ZZLUZWKSAGRAHE-LBPRGKRZSA-N 0 3 281.363 2.406 20 30 CEEDHN C#Cc1ccc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)nc1 ZINC000730787812 574576693 /nfs/dbraw/zinc/57/66/93/574576693.db2.gz WHIUGBRUZKECQM-ZIAGYGMSSA-N 0 3 285.391 2.056 20 30 CEEDHN CCCCCCCC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000730790428 574577004 /nfs/dbraw/zinc/57/70/04/574577004.db2.gz WTLFLHQMQSEHJJ-CQSZACIVSA-N 0 3 270.417 2.184 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H](C)Cc1cnccn1 ZINC000730940326 574584457 /nfs/dbraw/zinc/58/44/57/574584457.db2.gz MJPUHOXLXVXRDZ-AWEZNQCLSA-N 0 3 281.359 2.209 20 30 CEEDHN C=CCN1CCC(NC(=O)CN(C)CCCCCC)CC1 ZINC000732289650 574618414 /nfs/dbraw/zinc/61/84/14/574618414.db2.gz VGDMKTVFBIPPNK-UHFFFAOYSA-N 0 3 295.471 2.265 20 30 CEEDHN C#CCCN[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000733321761 574663885 /nfs/dbraw/zinc/66/38/85/574663885.db2.gz JBZRVCJZMSRTSW-LBPRGKRZSA-N 0 3 263.341 2.093 20 30 CEEDHN C#CCOc1ccc(CNCCC(=O)NC(C)(C)C)cc1 ZINC000733328454 574664413 /nfs/dbraw/zinc/66/44/13/574664413.db2.gz RKNVXEJGHXVVQC-UHFFFAOYSA-N 0 3 288.391 2.093 20 30 CEEDHN C#Cc1cccc(NC(=O)N[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000741751286 574673068 /nfs/dbraw/zinc/67/30/68/574673068.db2.gz CBDXOKCDTSTHRU-DOMZBBRYSA-N 0 3 271.364 2.272 20 30 CEEDHN C=CCCOCC(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000735220539 574746954 /nfs/dbraw/zinc/74/69/54/574746954.db2.gz XZFIIQFIVDPYLC-INIZCTEOSA-N 0 3 289.375 2.397 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000757111149 574825653 /nfs/dbraw/zinc/82/56/53/574825653.db2.gz QHEUDSSLBSTUCX-STQMWFEESA-N 0 3 266.385 2.245 20 30 CEEDHN CN(C)Cc1ccc(CN(C)C(=O)C(C)(C)C#N)cc1 ZINC000738518163 574866936 /nfs/dbraw/zinc/86/69/36/574866936.db2.gz OYMUNYZAKNODGE-UHFFFAOYSA-N 0 3 273.380 2.256 20 30 CEEDHN S=C(NN=C1CCCC[C@H]1N1CCCCC1)NC1CC1 ZINC000748782462 575195545 /nfs/dbraw/zinc/19/55/45/575195545.db2.gz SHDDONFTLJKWAD-CQSZACIVSA-N 0 3 294.468 2.397 20 30 CEEDHN C#CCCN1CCC(NC(=O)c2ncoc2C(C)C)CC1 ZINC000740735503 574967208 /nfs/dbraw/zinc/96/72/08/574967208.db2.gz IMLYQVJTHSKIBO-UHFFFAOYSA-N 0 3 289.379 2.016 20 30 CEEDHN C[C@H]1CC(N=Nc2nc3ccccc3[nH]2)CCN1C ZINC000741454316 574987541 /nfs/dbraw/zinc/98/75/41/574987541.db2.gz ZUNVZLAOTJKATE-JTQLQIEISA-N 0 3 257.341 2.445 20 30 CEEDHN C[C@@H]1CC(N=Nc2cncc(Cl)n2)CCN1C ZINC000741461233 574987869 /nfs/dbraw/zinc/98/78/69/574987869.db2.gz ZDGMBHHNNAOBFB-MRVPVSSYSA-N 0 3 253.737 2.012 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=S)Nc2ccccc2C#N)CCN1C ZINC000741507510 574990100 /nfs/dbraw/zinc/99/01/00/574990100.db2.gz YPMCOJZSETTXFS-YPMHNXCESA-N 0 3 288.420 2.327 20 30 CEEDHN C[C@H]1CCCN1CCNC(=O)CCc1ccc(C#N)cc1 ZINC000742237893 575012786 /nfs/dbraw/zinc/01/27/86/575012786.db2.gz RXISGIBXWVYUCS-AWEZNQCLSA-N 0 3 285.391 2.091 20 30 CEEDHN C[C@@H]1CCCN1CCNC(=O)C1(C#N)CCCCC1 ZINC000742242031 575013309 /nfs/dbraw/zinc/01/33/09/575013309.db2.gz XYYOWRSSSIFCNP-CYBMUJFWSA-N 0 3 263.385 2.061 20 30 CEEDHN COC(=O)N1CCC[C@@H](N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000743473596 575104868 /nfs/dbraw/zinc/10/48/68/575104868.db2.gz DWZPBDMWMVQGQJ-SWLSCSKDSA-N 0 3 287.363 2.440 20 30 CEEDHN N#CC(C(=O)C1=COCC1)c1nc2ccccc2[nH]1 ZINC000744010129 575112109 /nfs/dbraw/zinc/11/21/09/575112109.db2.gz DQAIBPRQGFWBHL-SNVBAGLBSA-N 0 3 253.261 2.043 20 30 CEEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1Cc2ccccc21 ZINC000744038459 575112438 /nfs/dbraw/zinc/11/24/38/575112438.db2.gz VMISGEZWNPJIIW-HUUCEWRRSA-N 0 3 282.343 2.094 20 30 CEEDHN CC(C)CN(CCC#N)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000746174411 575151020 /nfs/dbraw/zinc/15/10/20/575151020.db2.gz OAGZHNCUGSTJFY-ZIAGYGMSSA-N 0 3 265.401 2.257 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000746247061 575152710 /nfs/dbraw/zinc/15/27/10/575152710.db2.gz FHEBYJOYPREUKS-DFBGVHRSSA-N 0 3 290.338 2.400 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000748385765 575185214 /nfs/dbraw/zinc/18/52/14/575185214.db2.gz IERARVVGSMNTJZ-DNSOKLHBSA-N 0 3 284.718 2.177 20 30 CEEDHN C#CCNC(=O)CN1CC[C@@](C)(CCc2ccccc2)C1 ZINC000751500753 575290468 /nfs/dbraw/zinc/29/04/68/575290468.db2.gz GBBWJBJPTMXYBG-GOSISDBHSA-N 0 3 284.403 2.081 20 30 CEEDHN C#CCCN1CCC(NC(=O)Cc2cccc(CC)c2)CC1 ZINC000751991944 575303413 /nfs/dbraw/zinc/30/34/13/575303413.db2.gz DDOWDJKSLZYOFK-UHFFFAOYSA-N 0 3 298.430 2.395 20 30 CEEDHN C[C@H]1CN(C)CC1N=Nc1ncnc2sccc21 ZINC000752162975 575306229 /nfs/dbraw/zinc/30/62/29/575306229.db2.gz KMRCDBIOHJIHEH-QMMMGPOBSA-N 0 3 261.354 2.041 20 30 CEEDHN CN(C)Cc1ccc(CN(C)C(=O)NCCCC#N)cc1 ZINC000753273956 575323367 /nfs/dbraw/zinc/32/33/67/575323367.db2.gz QCDGQHPXBNZDNZ-UHFFFAOYSA-N 0 3 288.395 2.193 20 30 CEEDHN C#CCOCCN[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000753768951 575340936 /nfs/dbraw/zinc/34/09/36/575340936.db2.gz OWWOQPCSXDGTFZ-AWEZNQCLSA-N 0 3 275.348 2.148 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H]2C[C@@H]2C)C1 ZINC001020548156 622685271 /nfs/dbraw/zinc/68/52/71/622685271.db2.gz FJVQWFWIYBCARL-VGDYDELISA-N 0 3 256.777 2.022 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC000970483111 612961400 /nfs/dbraw/zinc/96/14/00/612961400.db2.gz GLEPSJCTNKLHDC-LSDHHAIUSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C(C)(C)C2CCCCC2)C1 ZINC000970210852 612959853 /nfs/dbraw/zinc/95/98/53/612959853.db2.gz MULOLFVZXXAZGU-OAHLLOKOSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)Cc2ccc(C(C)(C)C)cc2)C1 ZINC000970106330 612961659 /nfs/dbraw/zinc/96/16/59/612961659.db2.gz GSOBHIIOOPNIEW-QGZVFWFLSA-N 0 3 298.430 2.350 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)Cc2coc3cc(C)ccc23)C1 ZINC000970658055 612961922 /nfs/dbraw/zinc/96/19/22/612961922.db2.gz CISNPCJANARULS-OAHLLOKOSA-N 0 3 296.370 2.107 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc(C)ccc2F)C1 ZINC000970493559 612994653 /nfs/dbraw/zinc/99/46/53/612994653.db2.gz UNBONSNKVDZEHX-CYBMUJFWSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(Cl)o2)C1 ZINC000969307632 612995308 /nfs/dbraw/zinc/99/53/08/612995308.db2.gz IKNKCUFDSBFURS-SNVBAGLBSA-N 0 3 280.755 2.006 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(F)c(C)c2)C1 ZINC000970353617 612997577 /nfs/dbraw/zinc/99/75/77/612997577.db2.gz FADZPURSKGZCMJ-ZDUSSCGKSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC000964838852 613014419 /nfs/dbraw/zinc/01/44/19/613014419.db2.gz RFBZXUOTCGVVMZ-WBVHZDCISA-N 0 3 284.403 2.459 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC000967470873 613015380 /nfs/dbraw/zinc/01/53/80/613015380.db2.gz VBGVJHQEDRUSPF-GDBMZVCRSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(F)c2)C1 ZINC000964840831 613015692 /nfs/dbraw/zinc/01/56/92/613015692.db2.gz 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/nfs/dbraw/zinc/03/87/56/613038756.db2.gz BVXFQCGPFCSOSC-HNNXBMFYSA-N 0 3 299.418 2.356 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc(C)c(C)o2)CC1 ZINC000948299653 613162995 /nfs/dbraw/zinc/16/29/95/613162995.db2.gz NDIXCDXZNNUQRV-OAHLLOKOSA-N 0 3 288.391 2.456 20 30 CEEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cccc(CC)n2)CC1 ZINC000948443028 613163465 /nfs/dbraw/zinc/16/34/65/613163465.db2.gz WZAUZGZANLVLEO-MRXNPFEDSA-N 0 3 299.418 2.204 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H](C)C2CN(CCCF)C2)cc1 ZINC000970257386 613182633 /nfs/dbraw/zinc/18/26/33/613182633.db2.gz WPGIKTCFGWOCTJ-ZDUSSCGKSA-N 0 3 288.366 2.078 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@H]2CN(CC)CC2(C)C)cc1 ZINC000974928349 613191480 /nfs/dbraw/zinc/19/14/80/613191480.db2.gz CMHNMZGRNMTARK-HNNXBMFYSA-N 0 3 270.376 2.128 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)CC2CCCCC2)[C@H](C)C1 ZINC000941784639 613225078 /nfs/dbraw/zinc/22/50/78/613225078.db2.gz LYXPZHFUIKICTA-GDBMZVCRSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(F)cc2C)C[C@@H]1C 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C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(F)c(F)c2F)C1 ZINC000972194582 613620307 /nfs/dbraw/zinc/62/03/07/613620307.db2.gz DXPVUBLVSAOSGL-SNVBAGLBSA-N 0 3 298.308 2.436 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2nc(C(C)C)oc2C)C1 ZINC000971531965 613624548 /nfs/dbraw/zinc/62/45/48/613624548.db2.gz MHRVSADTFKONHN-CYBMUJFWSA-N 0 3 291.395 2.439 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)C(C)(C)C2CC2)C1 ZINC000972123967 613626329 /nfs/dbraw/zinc/62/63/29/613626329.db2.gz GWLALUFGXOLKKN-ZDUSSCGKSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)CC[C@H]2CC(C)(C)CO2)C1 ZINC000980269347 613627374 /nfs/dbraw/zinc/62/73/74/613627374.db2.gz JPGFKFSGDFEXKQ-GJZGRUSLSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2cc(C(C)C)no2)C1 ZINC000972486258 613634709 /nfs/dbraw/zinc/63/47/09/613634709.db2.gz RZBFPHDCOMBJNL-LBPRGKRZSA-N 0 3 277.368 2.130 20 30 CEEDHN C=CCN(C)[C@H]1CCN(C(=O)c2ccc(F)s2)C1 ZINC000980531734 613636967 /nfs/dbraw/zinc/63/69/67/613636967.db2.gz UBPSUMAUQSHSGW-JTQLQIEISA-N 0 3 268.357 2.220 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)Cc3ccc(C)nc3)C2)C1 ZINC000982150532 613678541 /nfs/dbraw/zinc/67/85/41/613678541.db2.gz JSMZCDAGKZYIID-UHFFFAOYSA-N 0 3 299.418 2.043 20 30 CEEDHN C=CCN1CCCC2(CN(C(=O)C[C@H]3C[C@@H]3C)C2)C1 ZINC000981983249 613678717 /nfs/dbraw/zinc/67/87/17/613678717.db2.gz FZZKZKTWPIYVPC-UONOGXRCSA-N 0 3 262.397 2.143 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C)c(C)n2)C[C@@H]1C ZINC000947548311 613751962 /nfs/dbraw/zinc/75/19/62/613751962.db2.gz YZQMUFDMRNJSPY-DZGCQCFKSA-N 0 3 287.407 2.467 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(F)nc2)C(C)(C)C1 ZINC000940627267 613752832 /nfs/dbraw/zinc/75/28/32/613752832.db2.gz OLHQJUSUAJVJFJ-CYBMUJFWSA-N 0 3 291.370 2.237 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2ccccc2)C[C@@H]1C ZINC000947005493 613754195 /nfs/dbraw/zinc/75/41/95/613754195.db2.gz QBGOCOBGABSYOW-DZGCQCFKSA-N 0 3 258.365 2.455 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cccc(F)c2)[C@H](C)C1 ZINC000941760819 613754419 /nfs/dbraw/zinc/75/44/19/613754419.db2.gz OLNCTZQZGFNSCD-IUODEOHRSA-N 0 3 276.355 2.452 20 30 CEEDHN C=CCN1CC[C@@H](NC(=O)c2cocc2C)C[C@@H]1C ZINC000947624480 613760607 /nfs/dbraw/zinc/76/06/07/613760607.db2.gz IODAZULSTJEXPV-QWHCGFSZSA-N 0 3 262.353 2.357 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C(C)(F)F)C(C)(C)C1 ZINC000940521427 613779664 /nfs/dbraw/zinc/77/96/64/613779664.db2.gz RPLVOSILFXUPAC-JTQLQIEISA-N 0 3 260.328 2.044 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)sn2)C[C@@H]1C ZINC000947248357 613788266 /nfs/dbraw/zinc/78/82/66/613788266.db2.gz HLZGSJQNBYTNBR-JQWIXIFHSA-N 0 3 279.409 2.220 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)sn2)[C@H](C)C1 ZINC000942001230 613788322 /nfs/dbraw/zinc/78/83/22/613788322.db2.gz REGCVPOIDCDKJX-PWSUYJOCSA-N 0 3 279.409 2.078 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)nc2)C(C)(C)C1 ZINC000940579850 613789832 /nfs/dbraw/zinc/78/98/32/613789832.db2.gz FFPYVXMHHYXZAX-HNNXBMFYSA-N 0 3 287.407 2.406 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)nc2)C[C@@H]1C ZINC000947053035 613790051 /nfs/dbraw/zinc/79/00/51/613790051.db2.gz SWPKWFMUKPJXHO-ZFWWWQNUSA-N 0 3 273.380 2.159 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cn3ccccc3n2)C[C@@H]1C ZINC000947988514 613794971 /nfs/dbraw/zinc/79/49/71/613794971.db2.gz ATBOOQRVGYPIOZ-KBPBESRZSA-N 0 3 298.390 2.103 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cnccc2C)[C@H](C)C1 ZINC000941912196 613796606 /nfs/dbraw/zinc/79/66/06/613796606.db2.gz KRUYDJPNXXONPS-HIFRSBDPSA-N 0 3 273.380 2.016 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cnoc2C(C)C)[C@@H](C)C1 ZINC000943964895 613798452 /nfs/dbraw/zinc/79/84/52/613798452.db2.gz IQEDIUDKNDZVHV-JSGCOSHPSA-N 0 3 291.395 2.424 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2nc(C)sc2C)[C@@H](C)C1 ZINC000942176238 613799844 /nfs/dbraw/zinc/79/98/44/613799844.db2.gz OMEILXVJYUXFCJ-GWCFXTLKSA-N 0 3 293.436 2.386 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ncccc2C)C[C@@H]1C ZINC000947156732 613800362 /nfs/dbraw/zinc/80/03/62/613800362.db2.gz HVTADAYRUNWDKR-KBPBESRZSA-N 0 3 273.380 2.159 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc(C)c(C)c1 ZINC000962480887 613838524 /nfs/dbraw/zinc/83/85/24/613838524.db2.gz FERKXGQGFSOSGX-VQFNDLOPSA-N 0 3 284.403 2.078 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC1(C)C ZINC000961521258 613839836 /nfs/dbraw/zinc/83/98/36/613839836.db2.gz GXQSZSBWUOUWOW-RQJABVFESA-N 0 3 262.397 2.045 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)c1ccsc1 ZINC000961739802 613839940 /nfs/dbraw/zinc/83/99/40/613839940.db2.gz BZLAENNJAQHLGC-ZZVYKPCYSA-N 0 3 276.405 2.084 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)C1CC1 ZINC000961108249 613839951 /nfs/dbraw/zinc/83/99/51/613839951.db2.gz UBGNCMUFCVBOCQ-XDNAFOTISA-N 0 3 296.414 2.413 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2cc(C)ccc2[nH]1 ZINC000961430591 613841183 /nfs/dbraw/zinc/84/11/83/613841183.db2.gz WATOUIILQPRVLD-HALDLXJZSA-N 0 3 295.386 2.322 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(F)ccc1CC ZINC000960794638 613841372 /nfs/dbraw/zinc/84/13/72/613841372.db2.gz VSKBTJUAABVFLU-ZSHCYNCHSA-N 0 3 288.366 2.234 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(Cl)c1F ZINC000961646435 613842450 /nfs/dbraw/zinc/84/24/50/613842450.db2.gz HZQFJVDNIKZBTA-YABSGUDNSA-N 0 3 294.757 2.325 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c2ccccc12 ZINC000960868077 613843587 /nfs/dbraw/zinc/84/35/87/613843587.db2.gz VBMSEYLAHYVCOC-HALDLXJZSA-N 0 3 295.386 2.024 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc2ccsc2c1 ZINC000961475748 613843686 /nfs/dbraw/zinc/84/36/86/613843686.db2.gz DSZXDMCAWHHLOJ-JYAVWHMHSA-N 0 3 299.399 2.142 20 30 CEEDHN C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000980909883 613860984 /nfs/dbraw/zinc/86/09/84/613860984.db2.gz ACZKUWOJBOLRSL-CHWSQXEVSA-N 0 3 274.364 2.209 20 30 CEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC12CC2 ZINC000960313358 613870966 /nfs/dbraw/zinc/87/09/66/613870966.db2.gz RWQDOUJMXZTPGH-BZUAXINKSA-N 0 3 282.387 2.344 20 30 CEEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)F ZINC000960241187 613871134 /nfs/dbraw/zinc/87/11/34/613871134.db2.gz DZYPGDOULNCFNU-ZIAGYGMSSA-N 0 3 276.355 2.292 20 30 CEEDHN CCC(=O)N1CC2(C1)CCCN(Cc1ccc(C#N)cc1)C2 ZINC000981565694 614503030 /nfs/dbraw/zinc/50/30/30/614503030.db2.gz MNKXIKLLUNBHHT-UHFFFAOYSA-N 0 3 297.402 2.393 20 30 CEEDHN N#Cc1cc(N[C@@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000892419567 625302449 /nfs/dbraw/zinc/30/24/49/625302449.db2.gz GKOPZCBUWNUSDD-SNVBAGLBSA-N 0 3 292.364 2.424 20 30 CEEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1CC(F)(F)C1 ZINC001024384515 625537875 /nfs/dbraw/zinc/53/78/75/625537875.db2.gz DGDRWFHQEGAJGL-ZDUSSCGKSA-N 0 3 284.350 2.026 20 30 CEEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001024418172 625549591 /nfs/dbraw/zinc/54/95/91/625549591.db2.gz CTTJCDOVYVJQSS-AGIUHOORSA-N 0 3 286.366 2.434 20 30 CEEDHN C=CCN1CCCC[C@H]1CNC(=O)C1C=CC=CC=C1 ZINC001024460888 625565293 /nfs/dbraw/zinc/56/52/93/625565293.db2.gz ASFGIKGZAJTIRC-INIZCTEOSA-N 0 3 272.392 2.442 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001020494542 622651881 /nfs/dbraw/zinc/65/18/81/622651881.db2.gz RUDKJCWWMXNARX-NJZULAAPSA-N 0 3 268.788 2.022 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001020544231 622678496 /nfs/dbraw/zinc/67/84/96/622678496.db2.gz NGRNITQASUTJMB-HAQNSBGRSA-N 0 3 268.788 2.332 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001020562911 622712904 /nfs/dbraw/zinc/71/29/04/622712904.db2.gz VOFJYNZNYLNAQU-HAQNSBGRSA-N 0 3 268.788 2.332 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001020664476 622813697 /nfs/dbraw/zinc/81/36/97/622813697.db2.gz SUTAMZZCGOVPID-HAQNSBGRSA-N 0 3 296.802 2.067 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(CCC)on2)C1 ZINC001020864066 622909040 /nfs/dbraw/zinc/90/90/40/622909040.db2.gz LPDIATDKPIRUFY-XYPYZODXSA-N 0 3 297.786 2.230 20 30 CEEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC2CC2)C1 ZINC001021496914 623232084 /nfs/dbraw/zinc/23/20/84/623232084.db2.gz 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/nfs/dbraw/zinc/18/11/42/624181142.db2.gz CKRBGTRXOOOWLL-LBPRGKRZSA-N 0 3 264.325 2.219 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NCc3ccns3)C2)C1 ZINC001022680252 624387285 /nfs/dbraw/zinc/38/72/85/624387285.db2.gz GEWAEDAXKJHILK-TXEJJXNPSA-N 0 3 291.420 2.236 20 30 CEEDHN N#CC(C(=O)CCc1ccccc1)C(=O)NC1CCCC1 ZINC000051650937 624498794 /nfs/dbraw/zinc/49/87/94/624498794.db2.gz OGAAAQYNLQWPPG-OAHLLOKOSA-N 0 3 284.359 2.387 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@]2(C)CC)C1 ZINC001022913851 624739913 /nfs/dbraw/zinc/73/99/13/624739913.db2.gz SYLCKRJBMYKMIQ-KZVDOYCCSA-N 0 3 270.804 2.412 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(C)s2)C1 ZINC001023204422 624961709 /nfs/dbraw/zinc/96/17/09/624961709.db2.gz QBDHCFXGXCTKHL-ZDUSSCGKSA-N 0 3 276.405 2.132 20 30 CEEDHN C=CCN1CCC[C@H](CNC(=O)c2ccc(C)o2)C1 ZINC001023217533 624965601 /nfs/dbraw/zinc/96/56/01/624965601.db2.gz JDVWQRWIDYXMPQ-CYBMUJFWSA-N 0 3 262.353 2.216 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000892351560 624978741 /nfs/dbraw/zinc/97/87/41/624978741.db2.gz MEXYPTVZBKYQDH-VXGBXAGGSA-N 0 3 271.380 2.060 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)C2=CCCCCC2)C1 ZINC001023334888 624991157 /nfs/dbraw/zinc/99/11/57/624991157.db2.gz ORVGVBHGEIBLBG-OAHLLOKOSA-N 0 3 274.408 2.338 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001023367142 624998228 /nfs/dbraw/zinc/99/82/28/624998228.db2.gz WHKIZJFCVPUJPR-HOTGVXAUSA-N 0 3 288.435 2.418 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)C2C=CC=CC=C2)C1 ZINC001023397840 625005390 /nfs/dbraw/zinc/00/53/90/625005390.db2.gz UIYBFCANKUXTAH-INIZCTEOSA-N 0 3 284.403 2.136 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccnc(CCC)c2)C1 ZINC001023429110 625011774 /nfs/dbraw/zinc/01/17/74/625011774.db2.gz DNISLSIPSAGJIB-OAHLLOKOSA-N 0 3 299.418 2.109 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001023451646 625017666 /nfs/dbraw/zinc/01/76/66/625017666.db2.gz RSAKWAKSMFCVAF-LSDHHAIUSA-N 0 3 274.408 2.028 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001023511030 625029340 /nfs/dbraw/zinc/02/93/40/625029340.db2.gz VLVRSNVSKRRBGB-KGLIPLIRSA-N 0 3 298.377 2.273 20 30 CEEDHN C=CCN1CCC[C@H](CNC(=O)c2cc(C)co2)C1 ZINC001023547900 625040978 /nfs/dbraw/zinc/04/09/78/625040978.db2.gz YDXKDEJQOLIIFH-CYBMUJFWSA-N 0 3 262.353 2.216 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001023623272 625079102 /nfs/dbraw/zinc/07/91/02/625079102.db2.gz MKTKYXGNWANUCJ-OAHLLOKOSA-N 0 3 287.407 2.097 20 30 CEEDHN C#CCN1CC[C@@]2(NC(=O)C3C=CC=CC=C3)CCC[C@H]12 ZINC000990939396 634438150 /nfs/dbraw/zinc/43/81/50/634438150.db2.gz YWWQMOSVEKSHQH-WMZOPIPTSA-N 0 3 282.387 2.031 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2cc(F)cc(F)c2)C1 ZINC001023736951 625167157 /nfs/dbraw/zinc/16/71/57/625167157.db2.gz KPDUNSVAQONILO-GFCCVEGCSA-N 0 3 292.329 2.040 20 30 CEEDHN N#Cc1ccccc1CNC[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001023792692 625223573 /nfs/dbraw/zinc/22/35/73/625223573.db2.gz KPJRNVMONYHQCD-AWEZNQCLSA-N 0 3 297.402 2.296 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ZINC000925330060 632336122 /nfs/dbraw/zinc/33/61/22/632336122.db2.gz AWARTFVXJFKOHW-ZFWWWQNUSA-N 0 3 291.395 2.112 20 30 CEEDHN CC(C)C[C@@H](C#N)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000813124099 632631271 /nfs/dbraw/zinc/63/12/71/632631271.db2.gz UCIKHJIRZBELTL-WFASDCNBSA-N 0 3 283.391 2.253 20 30 CEEDHN CC(C)N(CCC#N)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000813432483 632690713 /nfs/dbraw/zinc/69/07/13/632690713.db2.gz XXQCVGNQADJORS-OAHLLOKOSA-N 0 3 283.391 2.350 20 30 CEEDHN COc1ccc(/C=C2\C(=O)c3ncnn3C2C)c(C)c1 ZINC000899381837 632822505 /nfs/dbraw/zinc/82/25/05/632822505.db2.gz SVIFPMZNWKMYQZ-BNDQCTAISA-N 0 3 269.304 2.436 20 30 CEEDHN Cc1cc(C#N)cc(C)c1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000899397361 632824551 /nfs/dbraw/zinc/82/45/51/632824551.db2.gz NEEUQJDUBRKVPR-HNNXBMFYSA-N 0 3 285.391 2.245 20 30 CEEDHN C#CCNC(=O)CCN(CCC)Cc1ccccc1F ZINC000815025403 632951283 /nfs/dbraw/zinc/95/12/83/632951283.db2.gz DZLHKWDAQYJFJI-UHFFFAOYSA-N 0 3 276.355 2.177 20 30 CEEDHN C=CCn1cc(CN[C@H]2CCC[C@@H]2Cc2ccccn2)nn1 ZINC000899884444 633072415 /nfs/dbraw/zinc/07/24/15/633072415.db2.gz DMIANIYBHLIBPX-PBHICJAKSA-N 0 3 297.406 2.360 20 30 CEEDHN CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000816950987 633568930 /nfs/dbraw/zinc/56/89/30/633568930.db2.gz FHZCVRAHYITQQQ-ZNMIVQPWSA-N 0 3 295.427 2.120 20 30 CEEDHN CC(C)(CO)CNN=C1CCCCc2ccc(N)cc21 ZINC000817327127 633627796 /nfs/dbraw/zinc/62/77/96/633627796.db2.gz BHFYLAHOJNTQPB-UHFFFAOYSA-N 0 3 275.396 2.307 20 30 CEEDHN C#CCN(CC#CC)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900856850 633867526 /nfs/dbraw/zinc/86/75/26/633867526.db2.gz RIYFMJDFJYGNFV-UHFFFAOYSA-N 0 3 293.370 2.390 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc2occc2s1 ZINC000818593268 633954141 /nfs/dbraw/zinc/95/41/41/633954141.db2.gz SHVDDAVNLNKXHF-UHFFFAOYSA-N 0 3 276.361 2.179 20 30 CEEDHN Cc1cc2ccccc2nc1N=NC1CCN(CCO)CC1 ZINC000819812423 634270429 /nfs/dbraw/zinc/27/04/29/634270429.db2.gz LYPXIEIAEXUDSN-UHFFFAOYSA-N 0 3 298.390 2.399 20 30 CEEDHN C=C[C@@H](CC)CC(=O)NC(C)(C)CN1CCN(CC)CC1 ZINC000822047481 634841420 /nfs/dbraw/zinc/84/14/20/634841420.db2.gz WVQPALYWFPCRBP-HNNXBMFYSA-N 0 3 295.471 2.121 20 30 CEEDHN C[C@H](NC[C@@H](CO)CC1CC1)c1cc(C#N)ccn1 ZINC000903053736 634957457 /nfs/dbraw/zinc/95/74/57/634957457.db2.gz SLQBZGMGRBAKTQ-FZMZJTMJSA-N 0 3 259.353 2.012 20 30 CEEDHN C[C@@H](NC[C@@H](O)Cc1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000903094695 634976265 /nfs/dbraw/zinc/97/62/65/634976265.db2.gz PPSIKHDOHNKSCA-WBMJQRKESA-N 0 3 299.349 2.347 20 30 CEEDHN Cc1nn(C(C)C)cc1/C=C1\C(=O)c2ncnn2C1C ZINC000905085606 635799647 /nfs/dbraw/zinc/79/96/47/635799647.db2.gz OSDBWNHAXXXDRB-IUIMMGEKSA-N 0 3 271.324 2.205 20 30 CEEDHN CC1/C(=C/c2ccc(C(F)(F)F)[nH]2)C(=O)c2ncnn21 ZINC000905087240 635801473 /nfs/dbraw/zinc/80/14/73/635801473.db2.gz WRTDDWWAAMURGO-OJYYCGRUSA-N 0 3 282.225 2.466 20 30 CEEDHN C#CCCCCCN[C@H](c1nccn1C)C(C)(C)CO ZINC000878870776 651201385 /nfs/dbraw/zinc/20/13/85/651201385.db2.gz CYEYNQNABYQURD-CQSZACIVSA-N 0 3 277.412 2.263 20 30 CEEDHN C#Cc1cnc(NC[C@H](c2cccc(F)c2)N(C)C)nc1 ZINC000827299877 636284871 /nfs/dbraw/zinc/28/48/71/636284871.db2.gz VJSWEFXVOLXCOC-OAHLLOKOSA-N 0 3 284.338 2.312 20 30 CEEDHN C=CCCCCN(C)CC(=O)NCc1ccco1 ZINC000827360651 636304433 /nfs/dbraw/zinc/30/44/33/636304433.db2.gz MSOIROZTCFRMCT-UHFFFAOYSA-N 0 3 250.342 2.184 20 30 CEEDHN C#C[C@H](NCc1ccnn1-c1ccccc1)C1CCOCC1 ZINC000827560838 636354246 /nfs/dbraw/zinc/35/42/46/636354246.db2.gz VEDZYMHRHOTXJC-SFHVURJKSA-N 0 3 295.386 2.390 20 30 CEEDHN C#C[C@H](NCc1ccc(N2CCCC2)nc1)C1CCOCC1 ZINC000827565601 636355815 /nfs/dbraw/zinc/35/58/15/636355815.db2.gz NMQJRGRFFNJPCX-KRWDZBQOSA-N 0 3 299.418 2.200 20 30 CEEDHN CC[C@@H](N)c1cn(Cc2c(C)cc(C#N)cc2C)nn1 ZINC000905827370 636489357 /nfs/dbraw/zinc/48/93/57/636489357.db2.gz ISMSZGZCHYSPMY-CQSZACIVSA-N 0 3 269.352 2.225 20 30 CEEDHN C#Cc1cnc(N(C)CCCN(C)Cc2ccco2)nc1 ZINC000828194859 636535688 /nfs/dbraw/zinc/53/56/88/636535688.db2.gz USGUKXHWRGZBIF-UHFFFAOYSA-N 0 3 284.363 2.009 20 30 CEEDHN C#C[C@@H](NCCc1ncc(C)cc1C)[C@H]1CCCO1 ZINC000828307155 636566868 /nfs/dbraw/zinc/56/68/68/636566868.db2.gz LLFDFAFZFPZFDA-GDBMZVCRSA-N 0 3 258.365 2.011 20 30 CEEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)N[C@@H](C)CC)C1 ZINC000829774873 636928172 /nfs/dbraw/zinc/92/81/72/636928172.db2.gz VQPQJGDLYIUJBB-MELADBBJSA-N 0 3 250.386 2.025 20 30 CEEDHN C#CC[C@@H]1CCCN(Cc2cnc(OC)nc2C)C1 ZINC000829815177 636936989 /nfs/dbraw/zinc/93/69/89/636936989.db2.gz GOFXEYTVAFTQDU-CYBMUJFWSA-N 0 3 259.353 2.029 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)c2cc(C#N)ccc2F)CN1C1CC1 ZINC000829862825 636945243 /nfs/dbraw/zinc/94/52/43/636945243.db2.gz GZKIYFADKLCZRN-CMPLNLGQSA-N 0 3 287.338 2.052 20 30 CEEDHN N#CCCCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000907321246 636994322 /nfs/dbraw/zinc/99/43/22/636994322.db2.gz RBRMASZLUGFKDF-UHFFFAOYSA-N 0 3 270.336 2.324 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2ccccc2C1 ZINC000876544332 650315684 /nfs/dbraw/zinc/31/56/84/650315684.db2.gz RNJAWKJBLVWHJX-CYBMUJFWSA-N 0 3 264.756 2.041 20 30 CEEDHN C#CCN(C)CCCNC(=O)CC(C)(C)CC(F)(F)F ZINC000908436908 637343680 /nfs/dbraw/zinc/34/36/80/637343680.db2.gz ILHBOAZBCVAWKK-UHFFFAOYSA-N 0 3 292.345 2.426 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccnn1C1CCCC1 ZINC000876559095 650327443 /nfs/dbraw/zinc/32/74/43/650327443.db2.gz VKOYHIDKQBAGTM-NSHDSACASA-N 0 3 282.775 2.407 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000876561649 650329873 /nfs/dbraw/zinc/32/98/73/650329873.db2.gz QJVRQSSGQKHYLL-KBPBESRZSA-N 0 3 278.783 2.130 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)NCc1ccc(C)c(C#N)c1 ZINC000831798434 637437810 /nfs/dbraw/zinc/43/78/10/637437810.db2.gz MALNRJHVNKGHLR-INIZCTEOSA-N 0 3 285.391 2.357 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(F)c(C)c1 ZINC000876570481 650335759 /nfs/dbraw/zinc/33/57/59/650335759.db2.gz DJCLYGJNBYZLRN-LBPRGKRZSA-N 0 3 270.735 2.220 20 30 CEEDHN C=CCCC(=O)[C@@H]1CCCN1C(=O)CC1CCN(C)CC1 ZINC000908653979 637444719 /nfs/dbraw/zinc/44/47/19/637444719.db2.gz HBEOVTSZWZBJKV-HNNXBMFYSA-N 0 3 292.423 2.245 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000876574353 650338852 /nfs/dbraw/zinc/33/88/52/650338852.db2.gz CECYUFLSRPUBEB-KBPBESRZSA-N 0 3 294.782 2.056 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000876574357 650338866 /nfs/dbraw/zinc/33/88/66/650338866.db2.gz CECYUFLSRPUBEB-UONOGXRCSA-N 0 3 294.782 2.056 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000876575801 650340158 /nfs/dbraw/zinc/34/01/58/650340158.db2.gz TXGQRFDNOVBFRP-SSDOTTSWSA-N 0 3 288.804 2.244 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1OCC ZINC000876577305 650341294 /nfs/dbraw/zinc/34/12/94/650341294.db2.gz VEJKMZFWSACZPC-GFCCVEGCSA-N 0 3 282.771 2.171 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc(C2CC2)cs1 ZINC000876600205 650353690 /nfs/dbraw/zinc/35/36/90/650353690.db2.gz GQYMZRJYOHXPMJ-QMMMGPOBSA-N 0 3 271.773 2.429 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(Cl)s1 ZINC000876600445 650354815 /nfs/dbraw/zinc/35/48/15/650354815.db2.gz ISOVWPQIDALZNF-QMMMGPOBSA-N 0 3 279.192 2.488 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)Oc1ccccc1 ZINC000876605533 650356489 /nfs/dbraw/zinc/35/64/89/650356489.db2.gz XCWFHPMJXVYNNY-DGCLKSJQSA-N 0 3 282.771 2.040 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000876621536 650364093 /nfs/dbraw/zinc/36/40/93/650364093.db2.gz BDRLBBIPFKWNQA-AVGNSLFASA-N 0 3 282.746 2.268 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1C1CCC1 ZINC000876636522 650369763 /nfs/dbraw/zinc/36/97/63/650369763.db2.gz IZWFTZQDKUCMKM-NWDGAFQWSA-N 0 3 256.777 2.247 20 30 CEEDHN CCN1CCCN(C(=O)c2ccsc2C#N)[C@@H](C)C1 ZINC000910271015 637965623 /nfs/dbraw/zinc/96/56/23/637965623.db2.gz UCGOMDKMUTZYTE-NSHDSACASA-N 0 3 277.393 2.176 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCOc2ccc(F)cc21 ZINC000876658427 650382792 /nfs/dbraw/zinc/38/27/92/650382792.db2.gz WDPXJZIMXQPLPX-NEPJUHHUSA-N 0 3 298.745 2.235 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCOc2cc(C)ccc21 ZINC000876669603 650391984 /nfs/dbraw/zinc/39/19/84/650391984.db2.gz RWUZQVPYOGQBSQ-LLVKDONJSA-N 0 3 280.755 2.190 20 30 CEEDHN [NH2+]=C(NCc1ccc([O-])c(F)c1)N1CCCCCC1 ZINC000126093750 650395198 /nfs/dbraw/zinc/39/51/98/650395198.db2.gz UCAKYWXJOHVTDK-UHFFFAOYSA-N 0 3 265.332 2.222 20 30 CEEDHN C=C(C)CN1CC[C@]2(NC(=O)c3ccsn3)CCC[C@H]12 ZINC000991294635 638196263 /nfs/dbraw/zinc/19/62/63/638196263.db2.gz BWAVLKGXUWCNEW-DZGCQCFKSA-N 0 3 291.420 2.446 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C[C@@H](O)c1ccccc1 ZINC000876688155 650399856 /nfs/dbraw/zinc/39/98/56/650399856.db2.gz VNWVEMIAQSASRU-FPMFFAJLSA-N 0 3 296.798 2.085 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N(C)C)cc1C ZINC000876729858 650412192 /nfs/dbraw/zinc/41/21/92/650412192.db2.gz ZEXRLCDYYJCOLP-LBPRGKRZSA-N 0 3 281.787 2.469 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)CCCN2C ZINC000876738219 650414572 /nfs/dbraw/zinc/41/45/72/650414572.db2.gz YAJJFPZNZCWXRM-CYBMUJFWSA-N 0 3 293.798 2.477 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(C(=O)OC)c1 ZINC000911989111 638509871 /nfs/dbraw/zinc/50/98/71/638509871.db2.gz DVWKHCXDFXZFDV-CYBMUJFWSA-N 0 3 276.336 2.095 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1nc(C)cs1)C1CC1 ZINC000876772661 650427477 /nfs/dbraw/zinc/42/74/77/650427477.db2.gz PWHSKHHBDYWSTJ-QWRGUYRKSA-N 0 3 299.827 2.489 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ncc(C)s1)C1CC1 ZINC000876773280 650427496 /nfs/dbraw/zinc/42/74/96/650427496.db2.gz YILLGADVFRLOBM-WDEREUQCSA-N 0 3 299.827 2.489 20 30 CEEDHN C#Cc1cccc(CNC(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000836389997 638619182 /nfs/dbraw/zinc/61/91/82/638619182.db2.gz AWLICHKDWLDCDP-CQSZACIVSA-N 0 3 297.402 2.118 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC(CC)(CC)C1 ZINC000836489062 638648502 /nfs/dbraw/zinc/64/85/02/638648502.db2.gz VHNBKUDVZPKSQV-UHFFFAOYSA-N 0 3 279.428 2.163 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1C(=O)NCC ZINC000912322464 638650896 /nfs/dbraw/zinc/65/08/96/638650896.db2.gz JUTMXBXBHAFAAL-CYBMUJFWSA-N 0 3 289.379 2.058 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccsc1C#N ZINC000912523776 638710422 /nfs/dbraw/zinc/71/04/22/638710422.db2.gz PUHZXXXOPYUKFY-LBPRGKRZSA-N 0 3 291.420 2.470 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1CCC(C)CC1 ZINC000876850635 650458133 /nfs/dbraw/zinc/45/81/33/650458133.db2.gz YCVPGZCITFGPDT-NHNAUAITSA-N 0 3 258.793 2.399 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)[C@]2(C#N)CC3CCC2CC3)CCN1 ZINC000912765599 639012081 /nfs/dbraw/zinc/01/20/81/639012081.db2.gz GQSZCLJBLOSMNL-BOXZVXIZSA-N 0 3 289.423 2.163 20 30 CEEDHN Cc1ccc(NC(=O)C#CC2CC2)c(CN(C)C)c1 ZINC000837420314 639222318 /nfs/dbraw/zinc/22/23/18/639222318.db2.gz PQPQFQIMVRXLRI-UHFFFAOYSA-N 0 3 256.349 2.409 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC2(CC1)OCCO2 ZINC000165694914 639436841 /nfs/dbraw/zinc/43/68/41/639436841.db2.gz BTWMFNRZYWTGEB-UHFFFAOYSA-N 0 3 272.348 2.206 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1Cc2cc(F)c(F)cc2C1 ZINC000876953629 650504360 /nfs/dbraw/zinc/50/43/60/650504360.db2.gz WCMHPBOUDUIZPT-GFCCVEGCSA-N 0 3 286.709 2.277 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000876962588 650509037 /nfs/dbraw/zinc/50/90/37/650509037.db2.gz TUBWDOCNQRZYET-CYBMUJFWSA-N 0 3 291.782 2.379 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(C)c(C)c1 ZINC000876963406 650509130 /nfs/dbraw/zinc/50/91/30/650509130.db2.gz ARFNHIGQZAKKPN-CQSZACIVSA-N 0 3 280.799 2.432 20 30 CEEDHN C[C@H](NC1COC(C)(C)OC1)c1ccc(C#N)cc1 ZINC000230680492 639780245 /nfs/dbraw/zinc/78/02/45/639780245.db2.gz DPJUJHBDSIPEAC-NSHDSACASA-N 0 3 260.337 2.360 20 30 CEEDHN Cc1cc(N(C)C)ccc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000841631407 639801424 /nfs/dbraw/zinc/80/14/24/639801424.db2.gz DPHWVTHEIWLDPP-HOTGVXAUSA-N 0 3 299.422 2.255 20 30 CEEDHN N#CC(C(=O)CCC1CCOCC1)c1ccccn1 ZINC000173950763 639885032 /nfs/dbraw/zinc/88/50/32/639885032.db2.gz IJDHBPPVOKECRC-CYBMUJFWSA-N 0 3 258.321 2.465 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000841901001 639902209 /nfs/dbraw/zinc/90/22/09/639902209.db2.gz DJKGJIXEOMSQAY-ZMSDIMECSA-N 0 3 299.418 2.013 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(F)(F)C[C@@H]1C ZINC000877043762 650544549 /nfs/dbraw/zinc/54/45/49/650544549.db2.gz NVXCHQIEAUPWSB-IUCAKERBSA-N 0 3 266.719 2.103 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@H]3Cc4ccccc43)CCC[C@H]12 ZINC000992155787 639976085 /nfs/dbraw/zinc/97/60/85/639976085.db2.gz SMDFBYZCJVCCPT-JENIJYKNSA-N 0 3 294.398 2.073 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC001015125104 640023121 /nfs/dbraw/zinc/02/31/21/640023121.db2.gz XCOMLMOKMPGSDK-LBPRGKRZSA-N 0 3 292.354 2.215 20 30 CEEDHN C[C@](O)(CNCc1cccc(C#N)n1)c1ccsc1 ZINC000877050518 650548204 /nfs/dbraw/zinc/54/82/04/650548204.db2.gz BMLDDJQWERDHCU-AWEZNQCLSA-N 0 3 273.361 2.012 20 30 CEEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2CCC[C@@H](O)C2)c1 ZINC000877059445 650553823 /nfs/dbraw/zinc/55/38/23/650553823.db2.gz WASVBUMHCBCQGO-ZWNOBZJWSA-N 0 3 279.771 2.247 20 30 CEEDHN N#Cc1ccc(F)c(CNC2CC(n3cccn3)C2)c1 ZINC000877067802 650557258 /nfs/dbraw/zinc/55/72/58/650557258.db2.gz JCLFHCGDAPSZAS-UHFFFAOYSA-N 0 3 270.311 2.387 20 30 CEEDHN N#Cc1cnc(Cl)c(CN[C@H]2CC[C@@H](CO)CC2)c1 ZINC000877094793 650569754 /nfs/dbraw/zinc/56/97/54/650569754.db2.gz SVWWCCUUSKIDGV-GSJFWJNXSA-N 0 3 279.771 2.247 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccoc2C)[C@H]1C ZINC000993030307 640408046 /nfs/dbraw/zinc/40/80/46/640408046.db2.gz FHVDHYCWEUCVHI-DOMZBBRYSA-N 0 3 274.364 2.194 20 30 CEEDHN CN(Cc1ccc(C#N)o1)C[C@@]1(O)CCc2ccccc21 ZINC000843420637 640423047 /nfs/dbraw/zinc/42/30/47/640423047.db2.gz JTGDRQZKKQYOHI-KRWDZBQOSA-N 0 3 282.343 2.417 20 30 CEEDHN C[C@H](CO)CCCNCc1cc(C#N)cnc1Cl ZINC000877127261 650585015 /nfs/dbraw/zinc/58/50/15/650585015.db2.gz CIAXLGCPZJCYBD-JTQLQIEISA-N 0 3 267.760 2.105 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC000993200465 640546413 /nfs/dbraw/zinc/54/64/13/640546413.db2.gz NKIDTKIFEQEGAD-SWLSCSKDSA-N 0 3 286.379 2.045 20 30 CEEDHN CC(=O)OC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000153585463 640552153 /nfs/dbraw/zinc/55/21/53/640552153.db2.gz AKEROLGUEIIARK-UHFFFAOYSA-N 0 3 258.321 2.086 20 30 CEEDHN 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644134802 /nfs/dbraw/zinc/13/48/02/644134802.db2.gz NRIXEXCNLHURLS-SJLPKXTDSA-N 0 3 299.418 2.212 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)C#Cc1cccs1 ZINC000855162704 644261653 /nfs/dbraw/zinc/26/16/53/644261653.db2.gz LSRGIVCXQUIRIW-LBPRGKRZSA-N 0 3 276.405 2.089 20 30 CEEDHN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccs1 ZINC000753929178 644295153 /nfs/dbraw/zinc/29/51/53/644295153.db2.gz PINOJJXURFAKCX-GHMZBOCLSA-N 0 3 262.382 2.332 20 30 CEEDHN CC(C)OC1(CNCc2cnc3c(C#N)cnn3c2)CCC1 ZINC000877808139 650917576 /nfs/dbraw/zinc/91/75/76/650917576.db2.gz WGZIQHVBXMNARL-UHFFFAOYSA-N 0 3 299.378 2.038 20 30 CEEDHN C=CCC(F)(F)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000855899488 644521837 /nfs/dbraw/zinc/52/18/37/644521837.db2.gz NCQWFSYBPIWIJX-LBPRGKRZSA-N 0 3 274.355 2.434 20 30 CEEDHN CC[C@@H]1CC[C@H](C(=O)C(C#N)c2cc(C)nc(C)n2)O1 ZINC000757306579 644754417 /nfs/dbraw/zinc/75/44/17/644754417.db2.gz SFYOMRUDHXNWBO-YRGRVCCFSA-N 0 3 273.336 2.227 20 30 CEEDHN Cc1ccccc1COCC(=O)C(C#N)c1ccncn1 ZINC000857019105 644786050 /nfs/dbraw/zinc/78/60/50/644786050.db2.gz QKERGOHZIORGFZ-AWEZNQCLSA-N 0 3 281.315 2.178 20 30 CEEDHN C=CCN(CC=C)C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000877957926 650957916 /nfs/dbraw/zinc/95/79/16/650957916.db2.gz HEIYHOSKWYRRGS-JKSUJKDBSA-N 0 3 261.365 2.145 20 30 CEEDHN COc1cc(F)cc(N=NC2CN(C)C[C@@H]2C)c1 ZINC000759209671 644998986 /nfs/dbraw/zinc/99/89/86/644998986.db2.gz HSXJQQKGEIKOTM-VIFPVBQESA-N 0 3 251.305 2.184 20 30 CEEDHN Cc1cccc(OCC(=O)C(C#N)c2ccncn2)c1 ZINC000760346133 645144061 /nfs/dbraw/zinc/14/40/61/645144061.db2.gz OLWLRCXPDSOICE-CYBMUJFWSA-N 0 3 267.288 2.040 20 30 CEEDHN C=CC[C@@H](C)[C@@H](C)NC(c1ccnn1C)c1ccnn1C ZINC000858581334 645210340 /nfs/dbraw/zinc/21/03/40/645210340.db2.gz IZULMCQKRNAMDW-CHWSQXEVSA-N 0 3 287.411 2.433 20 30 CEEDHN CCCCCCCCCC(=O)NC[C@H]1CNCCO1 ZINC000116306315 645247647 /nfs/dbraw/zinc/24/76/47/645247647.db2.gz VRYYVOOPNJNQOA-CQSZACIVSA-N 0 3 270.417 2.232 20 30 CEEDHN C#CC[C@@H](COC)Nc1ccnc2ccc(C)cc21 ZINC000858859939 645273286 /nfs/dbraw/zinc/27/32/86/645273286.db2.gz GFHPCJSOUMTRGG-ZDUSSCGKSA-N 0 3 254.333 2.415 20 30 CEEDHN C#CCCOC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000858888780 645284660 /nfs/dbraw/zinc/28/46/60/645284660.db2.gz BBANXGTVPYFQQJ-UHFFFAOYSA-N 0 3 290.363 2.336 20 30 CEEDHN CCCOC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000858922719 645295884 /nfs/dbraw/zinc/29/58/84/645295884.db2.gz KDENSGBJJZFEOG-UHFFFAOYSA-N 0 3 289.379 2.468 20 30 CEEDHN C[C@@H](C#N)OCCN[C@H](c1ccccn1)C1CCC1 ZINC000859568565 645522169 /nfs/dbraw/zinc/52/21/69/645522169.db2.gz ZQFJDJVPHWCGSG-WFASDCNBSA-N 0 3 259.353 2.441 20 30 CEEDHN C#CCN(CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000763960777 645595415 /nfs/dbraw/zinc/59/54/15/645595415.db2.gz VEUTZSZKUGLFIZ-UHFFFAOYSA-N 0 3 274.320 2.461 20 30 CEEDHN C#CCCCCCN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000878185454 651028475 /nfs/dbraw/zinc/02/84/75/651028475.db2.gz HSBNYZLOGSTRPO-LSDHHAIUSA-N 0 3 251.370 2.060 20 30 CEEDHN C[C@H](NC1CCN(CC#N)CC1)c1cccnc1Cl ZINC000765855283 645816923 /nfs/dbraw/zinc/81/69/23/645816923.db2.gz CVHASYHUDCPZLR-NSHDSACASA-N 0 3 278.787 2.374 20 30 CEEDHN O=C(C#Cc1ccccc1)OCCN1CCCCC1 ZINC000770317806 646379744 /nfs/dbraw/zinc/37/97/44/646379744.db2.gz PFNVDGLFFSGWEY-UHFFFAOYSA-N 0 3 257.333 2.067 20 30 CEEDHN C#CC[C@@H]1CCN(Cc2cnc([C@H](C)O)s2)C1 ZINC000862445175 646463764 /nfs/dbraw/zinc/46/37/64/646463764.db2.gz NLWANGFASAUTTM-WDEREUQCSA-N 0 3 250.367 2.042 20 30 CEEDHN C#CC[C@H]1CCN(Cc2ncc(CN(C)C)s2)C1 ZINC000862447726 646465704 /nfs/dbraw/zinc/46/57/04/646465704.db2.gz PKXNYYZWEVLQPQ-LBPRGKRZSA-N 0 3 263.410 2.050 20 30 CEEDHN N#CCc1ccc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1 ZINC000771828270 646556986 /nfs/dbraw/zinc/55/69/86/646556986.db2.gz NQAYVENTCBXOCL-SNVBAGLBSA-N 0 3 297.236 2.130 20 30 CEEDHN CC(=NNc1ccnc(C)c1)c1ccc2c(c1)OCCO2 ZINC000863158597 646656948 /nfs/dbraw/zinc/65/69/48/646656948.db2.gz IMUNCPJVQVYXKJ-UHFFFAOYSA-N 0 3 283.331 2.419 20 30 CEEDHN C=CC[C@@H](CO)C[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000774825520 646900197 /nfs/dbraw/zinc/90/01/97/646900197.db2.gz DETMKGLENHLGPN-GFCCVEGCSA-N 0 3 265.353 2.065 20 30 CEEDHN C=CCC[C@H](NCC(=O)N(C)OC)c1ccccc1 ZINC000775464042 646957369 /nfs/dbraw/zinc/95/73/69/646957369.db2.gz PUGSCJVACDNLST-AWEZNQCLSA-N 0 3 262.353 2.303 20 30 CEEDHN C#C[C@H](N[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCCO1 ZINC000775571872 646967549 /nfs/dbraw/zinc/96/75/49/646967549.db2.gz LTTVXPSIUOUVIE-PVAVHDDUSA-N 0 3 270.376 2.036 20 30 CEEDHN C#C[C@@H](NCCOc1ccc(OCC)cc1)[C@@H]1CCCO1 ZINC000775793691 646993692 /nfs/dbraw/zinc/99/36/92/646993692.db2.gz MTHFYHYUWAXNJB-SJORKVTESA-N 0 3 289.375 2.235 20 30 CEEDHN C#C[C@H](NCCN1CCCc2ccccc21)[C@H]1CCCO1 ZINC000775793836 646993767 /nfs/dbraw/zinc/99/37/67/646993767.db2.gz FTUNGWFGKOYAJV-FUHWJXTLSA-N 0 3 284.403 2.210 20 30 CEEDHN C#CCCN1CCN(C[C@@H](C)c2ccccc2)CC1 ZINC000776596348 647078222 /nfs/dbraw/zinc/07/82/22/647078222.db2.gz ZLGUIHIYAUXMRV-MRXNPFEDSA-N 0 3 256.393 2.431 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CC(N)=O)C2CCCCC2)o1 ZINC000776940208 647098687 /nfs/dbraw/zinc/09/86/87/647098687.db2.gz NKSMMIOCXSVPEO-AWEZNQCLSA-N 0 3 275.352 2.065 20 30 CEEDHN CCN(C)c1ccc(C(C)=NN[C@@H](C)COC)cc1 ZINC000777890592 647186862 /nfs/dbraw/zinc/18/68/62/647186862.db2.gz DVKCSTJFOFASSK-LBPRGKRZSA-N 0 3 263.385 2.491 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)CC1 ZINC000865193967 647202385 /nfs/dbraw/zinc/20/23/85/647202385.db2.gz QIQGFXSLUAPPOQ-ZGKBOVNRSA-N 0 3 262.397 2.045 20 30 CEEDHN CN1CCCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1 ZINC000865401915 647274842 /nfs/dbraw/zinc/27/48/42/647274842.db2.gz DGPHUNYJMUGHOY-UHFFFAOYSA-N 0 3 284.285 2.114 20 30 CEEDHN CCn1ccnc1CN[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000865847778 647491373 /nfs/dbraw/zinc/49/13/73/647491373.db2.gz IPBYFCQJBDRLLF-OAHLLOKOSA-N 0 3 266.348 2.032 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)CCN1CCOC1=O ZINC000782188314 647598455 /nfs/dbraw/zinc/59/84/55/647598455.db2.gz BWBSVRBHSCBBLZ-GFCCVEGCSA-N 0 3 273.336 2.003 20 30 CEEDHN CC[C@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1nccn1C ZINC000866618305 647845411 /nfs/dbraw/zinc/84/54/11/647845411.db2.gz YOLCXYUUCKKBND-CVEARBPZSA-N 0 3 280.375 2.500 20 30 CEEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C2CCC2)c1 ZINC000786541972 648025975 /nfs/dbraw/zinc/02/59/75/648025975.db2.gz NIJSYFZYWPILAK-CQSZACIVSA-N 0 3 270.332 2.120 20 30 CEEDHN CCCCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786568875 648027383 /nfs/dbraw/zinc/02/73/83/648027383.db2.gz BBEKUKUQNLQACW-NSHDSACASA-N 0 3 294.301 2.480 20 30 CEEDHN CCCC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786570596 648027500 /nfs/dbraw/zinc/02/75/00/648027500.db2.gz OQINCEFSIOWTGF-SNVBAGLBSA-N 0 3 280.274 2.090 20 30 CEEDHN C=CCN1CCC(Nc2ncc(SC)cn2)CC1 ZINC000786804669 648045765 /nfs/dbraw/zinc/04/57/65/648045765.db2.gz KPPUTQLZDLKSQO-UHFFFAOYSA-N 0 3 264.398 2.261 20 30 CEEDHN CCOC(=O)C(F)(F)[C@H]1CCC[C@H](NCCC#N)C1 ZINC000787300139 648096386 /nfs/dbraw/zinc/09/63/86/648096386.db2.gz FPXNJHQFWKBKKY-QWRGUYRKSA-N 0 3 274.311 2.247 20 30 CEEDHN CCOC(=O)C(F)(F)[C@H]1CCC[C@@H](NCCC#N)C1 ZINC000787300140 648096618 /nfs/dbraw/zinc/09/66/18/648096618.db2.gz FPXNJHQFWKBKKY-WDEREUQCSA-N 0 3 274.311 2.247 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H]1CCc2ccc(Cl)nc21 ZINC000788812163 648224273 /nfs/dbraw/zinc/22/42/73/648224273.db2.gz ABVIONLJECBPMD-WDEREUQCSA-N 0 3 252.745 2.249 20 30 CEEDHN COc1ccc([C@H]2C[C@@H]2C(C)=Nn2cnnc2)cc1 ZINC000788928228 648235524 /nfs/dbraw/zinc/23/55/24/648235524.db2.gz CCLZIXAVNBGIQU-ZIAGYGMSSA-N 0 3 256.309 2.314 20 30 CEEDHN C#CCCCN(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789523317 648312563 /nfs/dbraw/zinc/31/25/63/648312563.db2.gz XTAVBZJAWGPDAR-MRXNPFEDSA-N 0 3 270.376 2.133 20 30 CEEDHN CC(C)(C)N1CC[C@@H](NC(=O)c2sccc2CC#N)C1 ZINC000869234782 648382368 /nfs/dbraw/zinc/38/23/68/648382368.db2.gz YYMPYVBTWMSDPK-GFCCVEGCSA-N 0 3 291.420 2.417 20 30 CEEDHN COC(=O)c1cc(N=NC2CN(C)C[C@@H]2C)ccc1C ZINC000793096890 648708131 /nfs/dbraw/zinc/70/81/31/648708131.db2.gz DWXIJGCXJDDGGC-NSHDSACASA-N 0 3 275.352 2.131 20 30 CEEDHN CO[C@@]1(C)CCCN(Cc2cncc(C#N)c2)CC1 ZINC000930288626 649073929 /nfs/dbraw/zinc/07/39/29/649073929.db2.gz JAZGYFMQGFBRKY-HNNXBMFYSA-N 0 3 259.353 2.344 20 30 CEEDHN CC(C)OC[C@H](O)CN[C@@H](CCC#N)c1ccccc1 ZINC000872204870 649315098 /nfs/dbraw/zinc/31/50/98/649315098.db2.gz IWRPANLUWZYRDV-CVEARBPZSA-N 0 3 276.380 2.407 20 30 CEEDHN C#C[C@H]1CC[C@H](NCc2cn(C3CCC3)nn2)CC1 ZINC000873198139 649585847 /nfs/dbraw/zinc/58/58/47/649585847.db2.gz SNJPCISAPMQCRA-JOCQHMNTSA-N 0 3 258.369 2.285 20 30 CEEDHN C=CCC1(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)CCC1 ZINC000874830199 649844039 /nfs/dbraw/zinc/84/40/39/649844039.db2.gz QNESNYPNNXAWGA-KGLIPLIRSA-N 0 3 262.397 2.428 20 30 CEEDHN CC1(C#N)CCN(C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000878389502 651083644 /nfs/dbraw/zinc/08/36/44/651083644.db2.gz KDKIJYCIUUDAPU-AWEZNQCLSA-N 0 3 278.396 2.340 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000878750980 651178865 /nfs/dbraw/zinc/17/88/65/651178865.db2.gz PSADLXJDOVLQMH-HNNXBMFYSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cnc3cc[nH]c3c2)CC1 ZINC000878751254 651179058 /nfs/dbraw/zinc/17/90/58/651179058.db2.gz VTHUDRSJFDOZMN-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN C[C@H]1CN(CC[C@@H](O)c2ccccc2)C[C@H](C)N1CC#N ZINC000878773495 651183382 /nfs/dbraw/zinc/18/33/82/651183382.db2.gz YVSLQERTPWASSC-YQQAZPJKSA-N 0 3 287.407 2.028 20 30 CEEDHN CN(C[C@H](O)c1cccc(C#N)c1)C[C@@H]1CC(C)(C)CO1 ZINC000878800783 651188192 /nfs/dbraw/zinc/18/81/92/651188192.db2.gz GITIYDKEEPCLCP-HOTGVXAUSA-N 0 3 288.391 2.339 20 30 CEEDHN N#Cc1ccc(NC(=O)CN2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC000879529218 651317257 /nfs/dbraw/zinc/31/72/57/651317257.db2.gz KKCMMYRFTAADHE-GASCZTMLSA-N 0 3 281.359 2.395 20 30 CEEDHN C[C@@H](NCCO[C@@H](C)C#N)c1cc2cnccc2o1 ZINC000879714895 651343247 /nfs/dbraw/zinc/34/32/47/651343247.db2.gz KPHSNUHTFXPITF-WDEREUQCSA-N 0 3 259.309 2.407 20 30 CEEDHN C=CCC[C@H](O)CN1CCc2ccc(NC(C)=O)cc2C1 ZINC000880030006 651376882 /nfs/dbraw/zinc/37/68/82/651376882.db2.gz FMYHBRCHCVBLFT-KRWDZBQOSA-N 0 3 288.391 2.330 20 30 CEEDHN C=CCCC[C@H](NCCNS(C)(=O)=O)c1ccccc1 ZINC000880390338 651434630 /nfs/dbraw/zinc/43/46/30/651434630.db2.gz YUDIBMHPRSYMFZ-HNNXBMFYSA-N 0 3 296.436 2.223 20 30 CEEDHN C#CC[C@H](CO)NCc1cc(C)c(C)cc1OC(F)F ZINC000883123657 652369611 /nfs/dbraw/zinc/36/96/11/652369611.db2.gz GJMYGTUKGMLZTC-CYBMUJFWSA-N 0 3 283.318 2.379 20 30 CEEDHN C#CCOc1ccc(CN[C@@H]2CCCC23OCCO3)cc1 ZINC000883178977 652390544 /nfs/dbraw/zinc/39/05/44/652390544.db2.gz JYNUSKUCWHDEJT-MRXNPFEDSA-N 0 3 287.359 2.084 20 30 CEEDHN COC[C@@H](NCc1cc(C#N)ccc1F)[C@@H]1CCCOC1 ZINC000883204955 652399558 /nfs/dbraw/zinc/39/95/58/652399558.db2.gz LTPUXTVIAJMGIZ-CZUORRHYSA-N 0 3 292.354 2.229 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@]2(C)CC2(C)C)CC1 ZINC000883343500 652437038 /nfs/dbraw/zinc/43/70/38/652437038.db2.gz PJKVOWBNOOXCDC-INIZCTEOSA-N 0 3 279.428 2.372 20 30 CEEDHN C[C@@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccccc1 ZINC000884043963 652654165 /nfs/dbraw/zinc/65/41/65/652654165.db2.gz PRTYLPQLNQLKKN-ZCYLDUCGSA-N 0 3 283.375 2.003 20 30 CEEDHN Cc1ccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1 ZINC000884044362 652654475 /nfs/dbraw/zinc/65/44/75/652654475.db2.gz FNWSMAPJBHXZNZ-UYJPIKCFSA-N 0 3 269.348 2.073 20 30 CEEDHN Cc1ccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c(C)c1 ZINC000884044610 652655730 /nfs/dbraw/zinc/65/57/30/652655730.db2.gz OJVNVQDCSIGPOW-UUCFBXCCSA-N 0 3 283.375 2.381 20 30 CEEDHN CCc1ccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1 ZINC000884047363 652658335 /nfs/dbraw/zinc/65/83/35/652658335.db2.gz PRMFFYHLDWPPBX-UUCFBXCCSA-N 0 3 283.375 2.327 20 30 CEEDHN Cc1ccc(F)c(NC(=O)C2CC3(C2)CNC[C@H]3C#N)c1 ZINC000884048554 652660416 /nfs/dbraw/zinc/66/04/16/652660416.db2.gz OMSTTXZQEQVARU-BWBHSNQOSA-N 0 3 287.338 2.212 20 30 CEEDHN C[C@H](c1ccccc1)N(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884057937 652674837 /nfs/dbraw/zinc/67/48/37/652674837.db2.gz VWJASCQUMUBYDP-REUGXJQISA-N 0 3 297.402 2.345 20 30 CEEDHN CCOc1cccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c1 ZINC000884070718 652694969 /nfs/dbraw/zinc/69/49/69/652694969.db2.gz VVCYIVVWGHZSOB-JZLYGMAVSA-N 0 3 299.374 2.163 20 30 CEEDHN C[C@@H]1CCC[C@@H](N(C)C(=O)C2CC3(C2)CNC[C@H]3C#N)C1 ZINC000884076561 652696787 /nfs/dbraw/zinc/69/67/87/652696787.db2.gz HVKYNZGVJJXVRQ-RJZXRHAOSA-N 0 3 289.423 2.163 20 30 CEEDHN N#C[C@H]1CNCC12CC(C(=O)NCCC1CCCCC1)C2 ZINC000884083450 652701273 /nfs/dbraw/zinc/70/12/73/652701273.db2.gz OIHKZUCFCVGBCA-CKDBGZEDSA-N 0 3 289.423 2.212 20 30 CEEDHN C[C@@H]1c2ccccc2CN1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884143475 652726856 /nfs/dbraw/zinc/72/68/56/652726856.db2.gz ISHXPJYBIATLCL-PBIRYHDKSA-N 0 3 295.386 2.229 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2occc2C)[C@H]1CC ZINC001087502833 805613751 /nfs/dbraw/zinc/61/37/51/805613751.db2.gz BCUDIDJCMOSMFN-UONOGXRCSA-N 0 3 274.364 2.194 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cccc(C)n2)[C@H]1CC ZINC001087504060 805617213 /nfs/dbraw/zinc/61/72/13/805617213.db2.gz MGWKKXYSLDIKHZ-DZGCQCFKSA-N 0 3 273.380 2.159 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc(C)o2)[C@H]1CC ZINC001087546295 805726490 /nfs/dbraw/zinc/72/64/90/805726490.db2.gz XTISHKYWKPXLDA-JKSUJKDBSA-N 0 3 288.391 2.123 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cccc(CC)n2)[C@H]1CC ZINC001087604431 805760070 /nfs/dbraw/zinc/76/00/70/805760070.db2.gz USQFMVJSGVOKCF-GOEBONIOSA-N 0 3 287.407 2.413 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)[C@H]1CC ZINC001087663420 805766286 /nfs/dbraw/zinc/76/62/86/805766286.db2.gz LIUNAFCRZFZMJL-HLPPOEQASA-N 0 3 262.397 2.332 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cccn2CC)[C@H]1CC ZINC001087830371 805807782 /nfs/dbraw/zinc/80/77/82/805807782.db2.gz CQFMHCFBBVFNIH-UONOGXRCSA-N 0 3 275.396 2.277 20 30 CEEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C(F)F)C1 ZINC001088242557 806028023 /nfs/dbraw/zinc/02/80/23/806028023.db2.gz AXIPUYQRMOEKCT-JTQLQIEISA-N 0 3 280.746 2.365 20 30 CEEDHN C=CCOCCN(C)CCN(C)C(=O)c1cc(C)c(C)o1 ZINC001271998565 806187049 /nfs/dbraw/zinc/18/70/49/806187049.db2.gz UDBXRRUUZYSZJY-UHFFFAOYSA-N 0 3 294.395 2.103 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H]2C=CCC2)[C@H]1C ZINC001088460688 806262497 /nfs/dbraw/zinc/26/24/97/806262497.db2.gz ADVKISFRIWRJQU-ILXRZTDVSA-N 0 3 262.397 2.498 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(C)n2)[C@H]1C ZINC001088471710 806280128 /nfs/dbraw/zinc/28/01/28/806280128.db2.gz APCYPZMGYUNCCX-KGLIPLIRSA-N 0 3 273.380 2.159 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1ccc(OC(C)C)cn1 ZINC001272185948 806572036 /nfs/dbraw/zinc/57/20/36/806572036.db2.gz VGUFFDGWNWQZJW-UHFFFAOYSA-N 0 3 291.395 2.059 20 30 CEEDHN CC(C)C#CC(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001126834677 806713531 /nfs/dbraw/zinc/71/35/31/806713531.db2.gz XWBCPTBVZZWFMW-CYBMUJFWSA-N 0 3 276.355 2.252 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cocc2C)[C@H]1C ZINC001088798155 806727874 /nfs/dbraw/zinc/72/78/74/806727874.db2.gz APEJFMCXWGVLEE-OCCSQVGLSA-N 0 3 262.353 2.357 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cc[nH]c2C2CC2)[C@H]1C ZINC001088822174 806771973 /nfs/dbraw/zinc/77/19/73/806771973.db2.gz HLVSAKRUEIQCOW-DOMZBBRYSA-N 0 3 285.391 2.108 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)C2(C)CCCCCC2)[C@@H](O)C1 ZINC001083532340 806789918 /nfs/dbraw/zinc/78/99/18/806789918.db2.gz JMAORRSZVLIAII-CABCVRRESA-N 0 3 294.439 2.084 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)[C@@H]2C1 ZINC001076070682 806804698 /nfs/dbraw/zinc/80/46/98/806804698.db2.gz WNELROUAEKXRGL-YHUYYLMFSA-N 0 3 274.408 2.141 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1 ZINC001125291158 802378869 /nfs/dbraw/zinc/37/88/69/802378869.db2.gz JITOPSGYLIAXHZ-FVQHAEBGSA-N 0 3 297.402 2.200 20 30 CEEDHN C=CCOCCN1CC[C@@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001266325340 802441396 /nfs/dbraw/zinc/44/13/96/802441396.db2.gz MDNSHKYRWLPHJR-JKSUJKDBSA-N 0 3 292.423 2.126 20 30 CEEDHN C#CCCCN1CCCn2cnc(COCC3CC3)c2C1 ZINC001209266996 802492037 /nfs/dbraw/zinc/49/20/37/802492037.db2.gz HHMRHODPJBOPLI-UHFFFAOYSA-N 0 3 287.407 2.429 20 30 CEEDHN CCN(CCNC(=O)C#CC(C)(C)C)C[C@H]1CCCCO1 ZINC001266390760 802517024 /nfs/dbraw/zinc/51/70/24/802517024.db2.gz KRTGLIKMZKNWLV-OAHLLOKOSA-N 0 3 294.439 2.043 20 30 CEEDHN C=CCN(CC)CCNC(=O)c1cccc2cccnc21 ZINC001266400246 802530373 /nfs/dbraw/zinc/53/03/73/802530373.db2.gz DWHMPQVADTXZCF-UHFFFAOYSA-N 0 3 283.375 2.473 20 30 CEEDHN C=CCCCCCCCN1CCN(CC(N)=O)C(C)(C)C1 ZINC001209442461 802532002 /nfs/dbraw/zinc/53/20/02/802532002.db2.gz SYRBITIUUTUHGX-UHFFFAOYSA-N 0 3 295.471 2.395 20 30 CEEDHN C=CCN(CC)CCNC(=O)c1ccc(F)cc1C ZINC001266431531 802569806 /nfs/dbraw/zinc/56/98/06/802569806.db2.gz HODJMRAGEXOJFW-UHFFFAOYSA-N 0 3 264.344 2.372 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)SC ZINC001266484259 802626223 /nfs/dbraw/zinc/62/62/23/802626223.db2.gz VIPNEPPNOVHVFH-MELADBBJSA-N 0 3 282.453 2.379 20 30 CEEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001039179163 802661071 /nfs/dbraw/zinc/66/10/71/802661071.db2.gz YUBMYYUXLZRWDL-UONOGXRCSA-N 0 3 280.387 2.071 20 30 CEEDHN CC#CCN1CC[C@@H](CNC(=O)CCCC(F)(F)F)C1 ZINC001266538058 802692903 /nfs/dbraw/zinc/69/29/03/802692903.db2.gz XUOXAVNCXOTOBH-LBPRGKRZSA-N 0 3 290.329 2.180 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC[C@H](NC/C=C\Cl)C2)C1 ZINC001266547663 802701528 /nfs/dbraw/zinc/70/15/28/802701528.db2.gz XNHWROXTSXMEDE-FHMRSRPSSA-N 0 3 268.788 2.286 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)[C@H](C)CCC ZINC001266556147 802713630 /nfs/dbraw/zinc/71/36/30/802713630.db2.gz DTOZXLRPLJZGFG-CQSZACIVSA-N 0 3 252.402 2.274 20 30 CEEDHN C=C(C)CN(CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC001266607094 802764929 /nfs/dbraw/zinc/76/49/29/802764929.db2.gz NMIHKDZMJJKXPJ-WDNDVIMCSA-N 0 3 262.397 2.189 20 30 CEEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cocc2C)C1 ZINC001021649879 802775475 /nfs/dbraw/zinc/77/54/75/802775475.db2.gz UUQULJYQMQDNTB-GOEBONIOSA-N 0 3 286.375 2.148 20 30 CEEDHN CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001266622718 802791333 /nfs/dbraw/zinc/79/13/33/802791333.db2.gz OUARFQIGQIYTAL-BRSBDYLESA-N 0 3 296.414 2.321 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cnc3ccccn23)C1 ZINC001046434408 811754981 /nfs/dbraw/zinc/75/49/81/811754981.db2.gz MJFFXSRTMPPWIU-KRWDZBQOSA-N 0 3 298.390 2.105 20 30 CEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)C(C)(C)F)C[C@@H]21 ZINC001041887754 802913698 /nfs/dbraw/zinc/91/36/98/802913698.db2.gz OVVHIYDVRZUQTD-STQMWFEESA-N 0 3 268.376 2.233 20 30 CEEDHN C=CCN1CCCC[C@H]1CNC(=O)CC[C@@H]1CCCO1 ZINC001266832153 802931730 /nfs/dbraw/zinc/93/17/30/802931730.db2.gz IPQHTMVOJARVLQ-GJZGRUSLSA-N 0 3 280.412 2.102 20 30 CEEDHN C#CCNCCN(C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC001267011016 803053644 /nfs/dbraw/zinc/05/36/44/803053644.db2.gz VARUGSQHXRBQCD-UHFFFAOYSA-N 0 3 285.174 2.288 20 30 CEEDHN C#CCNCCN(C)C(=O)c1oc2ccccc2c1C ZINC001267035387 803071035 /nfs/dbraw/zinc/07/10/35/803071035.db2.gz UFPFCEXMGIBEQT-UHFFFAOYSA-N 0 3 270.332 2.036 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@H]1CC[C@H](C)C1 ZINC001167591737 803170859 /nfs/dbraw/zinc/17/08/59/803170859.db2.gz MEJMUKYANHICPR-JQWIXIFHSA-N 0 3 258.793 2.271 20 30 CEEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@@H](C)CC)C[C@@H](C)O2 ZINC001098567986 803178220 /nfs/dbraw/zinc/17/82/20/803178220.db2.gz OXYGNAWTTWIIGB-LSDHHAIUSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCN(C)CCNC(=O)[C@@H](C)OCc1ccccc1C ZINC001267209348 803233305 /nfs/dbraw/zinc/23/33/05/803233305.db2.gz VAQIGHSQNABSDA-OAHLLOKOSA-N 0 3 290.407 2.134 20 30 CEEDHN C=CCN(C)CCNC(=O)c1ccc(C)cc1Cl ZINC001267219086 803242111 /nfs/dbraw/zinc/24/21/11/803242111.db2.gz JVTYWJSSIICPKD-UHFFFAOYSA-N 0 3 266.772 2.496 20 30 CEEDHN C=C(C)C(=O)NCCCNc1ccc2nc(C)[nH]c2c1 ZINC001167666858 803284793 /nfs/dbraw/zinc/28/47/93/803284793.db2.gz BNVHKVRBDBOCQN-UHFFFAOYSA-N 0 3 272.352 2.366 20 30 CEEDHN C=CCN(CC)CCNC(=O)C1(C(F)(F)F)CCC1 ZINC001267246182 803287409 /nfs/dbraw/zinc/28/74/09/803287409.db2.gz SISAJFATKGLWGX-UHFFFAOYSA-N 0 3 278.318 2.343 20 30 CEEDHN C=CCOCCN1CCC[C@H]1CNC(=O)[C@@H](C)C(C)C ZINC001267279188 803325111 /nfs/dbraw/zinc/32/51/11/803325111.db2.gz ZFTHFVNGTHYPJN-GJZGRUSLSA-N 0 3 282.428 2.062 20 30 CEEDHN CC#CCCCC(=O)NC[C@@H]1CCN(C[C@H](F)CC)C1 ZINC001267300999 803345042 /nfs/dbraw/zinc/34/50/42/803345042.db2.gz WJNBFMRLHYRFDR-LSDHHAIUSA-N 0 3 282.403 2.366 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)C(C)(C)CC(F)(F)F)C1 ZINC001267306488 803349734 /nfs/dbraw/zinc/34/97/34/803349734.db2.gz HPDOMPZESFUXFK-LLVKDONJSA-N 0 3 290.329 2.036 20 30 CEEDHN C=CCN(CCNC(=O)[C@H](C)C(C)(C)C)C1CC1 ZINC001267328343 803372436 /nfs/dbraw/zinc/37/24/36/803372436.db2.gz RDPOVNPVFVHVIS-LBPRGKRZSA-N 0 3 252.402 2.435 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H]2CCCCO2)C1 ZINC001267453424 803469501 /nfs/dbraw/zinc/46/95/01/803469501.db2.gz BZVOAWXJJNBNOQ-HOTGVXAUSA-N 0 3 294.439 2.445 20 30 CEEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1CC1 ZINC001087268934 803489604 /nfs/dbraw/zinc/48/96/04/803489604.db2.gz ZHAGLLVZEYRPNT-VNQPRFMTSA-N 0 3 274.408 2.025 20 30 CEEDHN Nc1ccc2c(c1)C(=NNCC1CCOCC1)CCC2 ZINC001117741623 814941166 /nfs/dbraw/zinc/94/11/66/814941166.db2.gz CBCWRBBYNMRDFD-UHFFFAOYSA-N 0 3 273.380 2.325 20 30 CEEDHN C#CCN1CC[C@H]2CCN(C(=O)CC3CC(C)(C)C3)C[C@H]21 ZINC001042203350 803518256 /nfs/dbraw/zinc/51/82/56/803518256.db2.gz MGIJAWZZXNRATP-JKSUJKDBSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCC[C@@H](C)N1CC(NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001267671748 803650982 /nfs/dbraw/zinc/65/09/82/803650982.db2.gz IXWUDTOOGUFLNH-ZBFHGGJFSA-N 0 3 293.455 2.016 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NCC1CN(C[C@H]2CCCCO2)C1 ZINC001267687843 803658964 /nfs/dbraw/zinc/65/89/64/803658964.db2.gz PBWZIXPOAQWORF-OAHLLOKOSA-N 0 3 294.439 2.206 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CC=CCC3)[C@@H]2C1 ZINC001075538514 803662571 /nfs/dbraw/zinc/66/25/71/803662571.db2.gz XDKBHHANPHRYKF-SOUVJXGZSA-N 0 3 260.381 2.061 20 30 CEEDHN C=CCCCN1CC[C@@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001267744333 803699616 /nfs/dbraw/zinc/69/96/16/803699616.db2.gz OCGKNRQTEVYRGN-CYBMUJFWSA-N 0 3 289.379 2.322 20 30 CEEDHN C=C(C)CCC(=O)N(C)[C@@H]1CCN(CCOC2CCC2)C1 ZINC001267763206 803717462 /nfs/dbraw/zinc/71/74/62/803717462.db2.gz KXZNATLWCFUGJY-OAHLLOKOSA-N 0 3 294.439 2.445 20 30 CEEDHN CC#CCNCc1ccc(CNC(=O)c2nccs2)cc1 ZINC001267939479 803831296 /nfs/dbraw/zinc/83/12/96/803831296.db2.gz 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C#CCCN1CC[C@H](N(C)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033450395 809307956 /nfs/dbraw/zinc/30/79/56/809307956.db2.gz XCUGPLSJLPVFPG-AWEZNQCLSA-N 0 3 295.386 2.338 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(OC)cc2)C1 ZINC001033607622 809359903 /nfs/dbraw/zinc/35/99/03/809359903.db2.gz ZVJIROXOPPBDFZ-HNNXBMFYSA-N 0 3 288.391 2.418 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C2CCC2)C1 ZINC001033722172 809387528 /nfs/dbraw/zinc/38/75/28/809387528.db2.gz LAWLRHWLZWFPCT-AWEZNQCLSA-N 0 3 250.386 2.285 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccncc2)C1 ZINC001033728826 809395381 /nfs/dbraw/zinc/39/53/81/809395381.db2.gz TYQJFXYFMYYVAP-HNNXBMFYSA-N 0 3 273.380 2.194 20 30 CEEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2c(C)noc2C)C1 ZINC001033744143 809402246 /nfs/dbraw/zinc/40/22/46/809402246.db2.gz GNFABHGJOPXNMF-CQSZACIVSA-N 0 3 291.395 2.404 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC001033749174 809403143 /nfs/dbraw/zinc/40/31/43/809403143.db2.gz ATPZXOGWCPFMMN-HOTGVXAUSA-N 0 3 274.408 2.289 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288.366 2.433 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ncoc2C)C1 ZINC001034124741 809513278 /nfs/dbraw/zinc/51/32/78/809513278.db2.gz WQORIMINIKXFHJ-CYBMUJFWSA-N 0 3 277.368 2.143 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)C[C@@H]2CCCCO2)C1 ZINC001034157951 809529606 /nfs/dbraw/zinc/52/96/06/809529606.db2.gz CNJWYGKXBVYWJS-GJZGRUSLSA-N 0 3 280.412 2.102 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2CC(OCC)C2)C1 ZINC001034189297 809542725 /nfs/dbraw/zinc/54/27/25/809542725.db2.gz IBKFDIVRNITRNI-PCKAHOCUSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCCN1CCCC[C@@H](NC(=O)c2coc(C)c2)C1 ZINC001034184913 809543778 /nfs/dbraw/zinc/54/37/78/809543778.db2.gz SNHPFYBEQCDHRR-OAHLLOKOSA-N 0 3 274.364 2.196 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001034358833 809584774 /nfs/dbraw/zinc/58/47/74/809584774.db2.gz PZHPEOCEVGXQPL-CBBWQLFWSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001034351533 809588488 /nfs/dbraw/zinc/58/84/88/809588488.db2.gz 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/nfs/dbraw/zinc/23/95/46/810239546.db2.gz FQSNAOSSMXBPPV-TZMCWYRMSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001080270202 810261032 /nfs/dbraw/zinc/26/10/32/810261032.db2.gz PTKUTLSHYRKEAJ-QLFBSQMISA-N 0 3 262.397 2.355 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc(C)sc2C)C1 ZINC001015152428 810262099 /nfs/dbraw/zinc/26/20/99/810262099.db2.gz IQWDLHGGUBDJKO-CYBMUJFWSA-N 0 3 276.405 2.192 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001080300375 810265398 /nfs/dbraw/zinc/26/53/98/810265398.db2.gz QDPWLVHEYZDOLG-IUODEOHRSA-N 0 3 275.396 2.203 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001015181480 810265954 /nfs/dbraw/zinc/26/59/54/810265954.db2.gz GEZGDRWNXCGDEU-CQSZACIVSA-N 0 3 295.386 2.304 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001015272187 810274508 /nfs/dbraw/zinc/27/45/08/810274508.db2.gz SFUDVDZDDKTVJG-MSOLQXFVSA-N 0 3 296.414 2.394 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001080395950 810274577 /nfs/dbraw/zinc/27/45/77/810274577.db2.gz SRDDDLCFRRGVNN-MGPQQGTHSA-N 0 3 264.413 2.435 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001080387342 810275159 /nfs/dbraw/zinc/27/51/59/810275159.db2.gz XKOTZTGOVRHMMV-ZIAGYGMSSA-N 0 3 262.397 2.355 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H]2CCC(C)(C)CO2)C1 ZINC001015319138 810278844 /nfs/dbraw/zinc/27/88/44/810278844.db2.gz QRSARYMFIMNAPU-GJZGRUSLSA-N 0 3 294.439 2.348 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001015470586 810295068 /nfs/dbraw/zinc/29/50/68/810295068.db2.gz HCYQWUTVHOWMMC-OAHLLOKOSA-N 0 3 295.386 2.304 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001015650193 810323191 /nfs/dbraw/zinc/32/31/91/810323191.db2.gz MGUZFNSCRIPMGM-AWEZNQCLSA-N 0 3 262.397 2.171 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001015689245 810332713 /nfs/dbraw/zinc/33/27/13/810332713.db2.gz 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C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC3(F)F)[C@@H]2C1 ZINC001084439131 810471696 /nfs/dbraw/zinc/47/16/96/810471696.db2.gz YBJAABCWYMNDOF-FRRDWIJNSA-N 0 3 284.350 2.141 20 30 CEEDHN C#C[C@H](NC(=O)NC[C@@H]1CCCCN1C)c1ccccc1 ZINC001121964461 815371840 /nfs/dbraw/zinc/37/18/40/815371840.db2.gz FILQWQKSGAJZBH-HOTGVXAUSA-N 0 3 285.391 2.144 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCN(CC[C@H](C)F)C[C@H]21 ZINC001084577981 810481255 /nfs/dbraw/zinc/48/12/55/810481255.db2.gz CSXSWFQTZHLSNY-BFHYXJOUSA-N 0 3 282.403 2.479 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCC1 ZINC001017447487 810522510 /nfs/dbraw/zinc/52/25/10/810522510.db2.gz YGDWHKUBQJWIGE-GASCZTMLSA-N 0 3 262.397 2.428 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)o1 ZINC001017488617 810527236 /nfs/dbraw/zinc/52/72/36/810527236.db2.gz HWFFOHJWEXYLEX-GASCZTMLSA-N 0 3 288.391 2.382 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C(C)(CC)CC)[C@@H]2C1 ZINC001084840415 810529805 /nfs/dbraw/zinc/52/98/05/810529805.db2.gz 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/nfs/dbraw/zinc/38/78/38/815387838.db2.gz RYELPKHRPRQXSG-LSDHHAIUSA-N 0 3 273.380 2.056 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C2(c3cccc(C)c3)CCC2)C1 ZINC001019219357 810685284 /nfs/dbraw/zinc/68/52/84/810685284.db2.gz SRCXKLKPUYXGQH-KRWDZBQOSA-N 0 3 296.414 2.240 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001019321776 810699302 /nfs/dbraw/zinc/69/93/02/810699302.db2.gz QBXWXJGGIONJSR-WFASDCNBSA-N 0 3 290.794 2.267 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@@H](C)CC2CCCC2)C1 ZINC001019463531 810711915 /nfs/dbraw/zinc/71/19/15/810711915.db2.gz FWTYASREAFWDIW-ZFWWWQNUSA-N 0 3 262.397 2.027 20 30 CEEDHN C[C@@H]1CC[C@@H](N2CCN(c3nccnc3C#N)CC2)C[C@H]1C ZINC001172375567 815391246 /nfs/dbraw/zinc/39/12/46/815391246.db2.gz DBLPVGPGSDBJOI-RBSFLKMASA-N 0 3 299.422 2.295 20 30 CEEDHN C#CCN(CC)[C@H](C)CNC(=O)c1cc[nH]c1CCC ZINC001154800112 810731837 /nfs/dbraw/zinc/73/18/37/810731837.db2.gz GQGLQTLEQSWUDZ-CYBMUJFWSA-N 0 3 275.396 2.041 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@@H](C)c2cccc(Cl)c2)C1 ZINC001019796345 810741086 /nfs/dbraw/zinc/74/10/86/810741086.db2.gz JEJQICIPOGEYRZ-WFASDCNBSA-N 0 3 290.794 2.267 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2ccsc2)C1 ZINC001019962335 810753390 /nfs/dbraw/zinc/75/33/90/810753390.db2.gz VBXXKYFGBRLHHT-HAQNSBGRSA-N 0 3 284.812 2.280 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccoc1C ZINC001085477083 810780950 /nfs/dbraw/zinc/78/09/50/810780950.db2.gz PWRLEVIDFVFEFY-CYBMUJFWSA-N 0 3 262.353 2.310 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001020249558 810782827 /nfs/dbraw/zinc/78/28/27/810782827.db2.gz XRDJDGUIZYBBGK-XYPYZODXSA-N 0 3 295.770 2.155 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCCO1 ZINC001085545283 810820465 /nfs/dbraw/zinc/82/04/65/810820465.db2.gz GYXDFEXXDUEEML-LSDHHAIUSA-N 0 3 280.412 2.054 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001038431744 810839371 /nfs/dbraw/zinc/83/93/71/810839371.db2.gz LJVNJJXNVNULQC-OAHLLOKOSA-N 0 3 287.407 2.469 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccnc2ccncc21 ZINC001038561695 810863977 /nfs/dbraw/zinc/86/39/77/810863977.db2.gz IHMQWNSBYWGCCP-CYBMUJFWSA-N 0 3 296.374 2.010 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c[nH]nc1CCC ZINC001085689278 810877272 /nfs/dbraw/zinc/87/72/72/810877272.db2.gz CJIPSZDQESJAFX-ZDUSSCGKSA-N 0 3 290.411 2.085 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001038667562 810885999 /nfs/dbraw/zinc/88/59/99/810885999.db2.gz NSEPSKSHBPFQLY-HNNXBMFYSA-N 0 3 262.397 2.499 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccn2ccnc2c1 ZINC001085719720 810887039 /nfs/dbraw/zinc/88/70/39/810887039.db2.gz BKIQSWIGFINBET-OAHLLOKOSA-N 0 3 298.390 2.057 20 30 CEEDHN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc2cncn2c1 ZINC001085724151 810891696 /nfs/dbraw/zinc/89/16/96/810891696.db2.gz OQAAJDUZXJNREP-INIZCTEOSA-N 0 3 298.390 2.057 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C(C)C)n[nH]1 ZINC001038717242 810896050 /nfs/dbraw/zinc/89/60/50/810896050.db2.gz MZUFOMGPHIHWST-CYBMUJFWSA-N 0 3 290.411 2.303 20 30 CEEDHN CC(C)C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)C(=O)N[O-] ZINC001172370099 815405907 /nfs/dbraw/zinc/40/59/07/815405907.db2.gz VHKZFTDWCGZWIB-RVMXOQNASA-N 0 3 256.390 2.321 20 30 CEEDHN CC[C@H](C)[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)C(=O)N[O-] ZINC001172367392 815405949 /nfs/dbraw/zinc/40/59/49/815405949.db2.gz KUODQGDCTKOCHZ-YYHQMBLXSA-N 0 3 256.390 2.321 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001038761301 810907546 /nfs/dbraw/zinc/90/75/46/810907546.db2.gz JEHIEPPEEWQQIF-AWEZNQCLSA-N 0 3 275.396 2.402 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc2nccn2c1 ZINC001038899882 810942619 /nfs/dbraw/zinc/94/26/19/810942619.db2.gz DJRDFDOWWSXGSM-HNNXBMFYSA-N 0 3 298.390 2.105 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001085920560 810968417 /nfs/dbraw/zinc/96/84/17/810968417.db2.gz FPMHJEFDCREFGL-CQSZACIVSA-N 0 3 287.407 2.226 20 30 CEEDHN C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001039267133 811002759 /nfs/dbraw/zinc/00/27/59/811002759.db2.gz JJAVUHGOUZBFFH-GOOCMWNKSA-N 0 3 298.386 2.141 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2=CCCC2)C1 ZINC001086059663 811020560 /nfs/dbraw/zinc/02/05/60/811020560.db2.gz OIOBXBACUXOJHH-BJHJDKERSA-N 0 3 268.788 2.334 20 30 CEEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C ZINC001039419887 811027515 /nfs/dbraw/zinc/02/75/15/811027515.db2.gz RSZUYUQXDZWPBZ-XGUBFFRZSA-N 0 3 262.397 2.284 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)C ZINC001039446640 811032598 /nfs/dbraw/zinc/03/25/98/811032598.db2.gz OJGBFXCPAFOCLU-XHSDSOJGSA-N 0 3 276.424 2.367 20 30 CEEDHN C[C@H](C#N)CN[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724068585 811035653 /nfs/dbraw/zinc/03/56/53/811035653.db2.gz MBWHJNHEDRUVMZ-UPJWGTAASA-N 0 3 281.400 2.429 20 30 CEEDHN C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)C1CC1 ZINC001122514335 815420450 /nfs/dbraw/zinc/42/04/50/815420450.db2.gz OYERPRRPOGOUBM-CYBMUJFWSA-N 0 3 289.427 2.262 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc(C)o2)C1 ZINC001086302905 811096859 /nfs/dbraw/zinc/09/68/59/811096859.db2.gz GBFRWFKOFBGXRM-HAQNSBGRSA-N 0 3 282.771 2.439 20 30 CEEDHN CC#CCNCCN(CC)C(=O)[C@H](CC)CC(F)F ZINC001273420402 811099807 /nfs/dbraw/zinc/09/98/07/811099807.db2.gz MJGYVCJJFAVWDJ-GFCCVEGCSA-N 0 3 274.355 2.129 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C(C)(C)C3CC3)C2)C1 ZINC001040336096 811103727 /nfs/dbraw/zinc/10/37/27/811103727.db2.gz GFAGCLFHOZCZEY-GOSISDBHSA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2CC(C)C2)C1 ZINC001086338663 811109573 /nfs/dbraw/zinc/10/95/73/811109573.db2.gz ZMMQSEGEYSJYKV-CXONOXSGSA-N 0 3 270.804 2.269 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)/C=C\c3ccco3)C2)CC1 ZINC001040584509 811116908 /nfs/dbraw/zinc/11/69/08/811116908.db2.gz LTIGYTVMCRYOII-WAYWQWQTSA-N 0 3 298.386 2.241 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC001041156429 811146379 /nfs/dbraw/zinc/14/63/79/811146379.db2.gz SAUPZNCFKDJZKI-KRWDZBQOSA-N 0 3 274.408 2.124 20 30 CEEDHN C=C[C@H](CC)CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC001122561446 815426001 /nfs/dbraw/zinc/42/60/01/815426001.db2.gz DUOCTSNHKICUOX-YPMHNXCESA-N 0 3 262.353 2.356 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@]3(C)C=CCC3)C2)C1 ZINC001041556789 811175767 /nfs/dbraw/zinc/17/57/67/811175767.db2.gz CFPJMXSWIWNOKZ-QZTJIDSGSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@]34C[C@H]3CCCC4)C2)C1 ZINC001041652820 811183407 /nfs/dbraw/zinc/18/34/07/811183407.db2.gz MWDQDHNBXXBLNB-BPQIPLTHSA-N 0 3 286.419 2.124 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3cc(C)no3)C[C@@H]21 ZINC001041930703 811215730 /nfs/dbraw/zinc/21/57/30/811215730.db2.gz CREQBGJVLFQDPX-KGLIPLIRSA-N 0 3 289.379 2.096 20 30 CEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3ncoc3C)C[C@H]21 ZINC001041967547 811225564 /nfs/dbraw/zinc/22/55/64/811225564.db2.gz QIRPEOQEVGFWTD-UONOGXRCSA-N 0 3 289.379 2.096 20 30 CEEDHN C=CCn1cccc1C(=O)N1CC[C@@H]2CCN(CC=C)[C@@H]2C1 ZINC001042096499 811244269 /nfs/dbraw/zinc/24/42/69/811244269.db2.gz ZQECEKNNYYCRHF-DOTOQJQBSA-N 0 3 299.418 2.397 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(C)cc(C)n3)C[C@H]21 ZINC001042124568 811247078 /nfs/dbraw/zinc/24/70/78/811247078.db2.gz IDSMEKAXPGZTKU-NVXWUHKLSA-N 0 3 299.418 2.421 20 30 CEEDHN C#Cc1ccc(C(=O)N2CC[C@@H]3CCN(CC=C)[C@H]3C2)cc1 ZINC001042178300 811251773 /nfs/dbraw/zinc/25/17/73/811251773.db2.gz DEMFEVGKJOGPSX-WMZOPIPTSA-N 0 3 294.398 2.390 20 30 CEEDHN C#CCN1CC[C@H]2CCN(C(=O)CC3CC(C)(C)C3)C[C@@H]21 ZINC001042203346 811255994 /nfs/dbraw/zinc/25/59/94/811255994.db2.gz MGIJAWZZXNRATP-HOTGVXAUSA-N 0 3 288.435 2.369 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3oncc3C)C[C@H]21 ZINC001042298224 811266219 /nfs/dbraw/zinc/26/62/19/811266219.db2.gz CZDKPJYULBXEBW-ZIAGYGMSSA-N 0 3 289.379 2.096 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)c3cccn3CC)C[C@@H]21 ZINC001042360349 811273183 /nfs/dbraw/zinc/27/31/83/811273183.db2.gz RRWCPXRPHVANMH-WBVHZDCISA-N 0 3 299.418 2.068 20 30 CEEDHN C[C@H](N)c1ccn(-c2cccc3[nH]c(C#N)cc32)n1 ZINC001169232283 811445675 /nfs/dbraw/zinc/44/56/75/811445675.db2.gz CJXOUFXWQFKEDB-VIFPVBQESA-N 0 3 251.293 2.245 20 30 CEEDHN C[C@@H](CCCC#N)N1CCN(c2ccccn2)CC1 ZINC001172490766 815451372 /nfs/dbraw/zinc/45/13/72/815451372.db2.gz KRPOZYRLMBKFLS-AWEZNQCLSA-N 0 3 258.369 2.286 20 30 CEEDHN C[Si](C)(C)C#CN1CCCc2ccc(CN)nc21 ZINC001169590833 811577658 /nfs/dbraw/zinc/57/76/58/811577658.db2.gz QBNFECZQCTTXLN-UHFFFAOYSA-N 0 3 259.429 2.131 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC001045427690 811611146 /nfs/dbraw/zinc/61/11/46/811611146.db2.gz PAIMBOHWTLNNFG-QWRGUYRKSA-N 0 3 272.339 2.044 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cnc3ccccn32)CC1 ZINC001045484009 811616511 /nfs/dbraw/zinc/61/65/11/811616511.db2.gz VTTCYPHUEYZZFO-UHFFFAOYSA-N 0 3 298.390 2.105 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001045532831 811621915 /nfs/dbraw/zinc/62/19/15/811621915.db2.gz QJTTXWYNZVCYCR-FICVDOATSA-N 0 3 274.408 2.027 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001045586312 811629189 /nfs/dbraw/zinc/62/91/89/811629189.db2.gz NCAYJNMPHUGMBM-JKSUJKDBSA-N 0 3 288.435 2.417 20 30 CEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C(C)C)C2 ZINC001045916118 811665285 /nfs/dbraw/zinc/66/52/85/811665285.db2.gz UZVKYLQZGOACRM-QGZVFWFLSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C1(C)CC1)C2 ZINC001045940016 811667633 /nfs/dbraw/zinc/66/76/33/811667633.db2.gz OEDUWCWEEDZKTL-KRWDZBQOSA-N 0 3 274.408 2.124 20 30 CEEDHN C=C[C@@H](CO)Nc1cccc(N2CCCC[C@@H]2C)n1 ZINC001169779370 811668427 /nfs/dbraw/zinc/66/84/27/811668427.db2.gz HHOUYQWUBPOXFO-STQMWFEESA-N 0 3 261.369 2.419 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C1(CF)CC1)C2 ZINC001045966323 811670321 /nfs/dbraw/zinc/67/03/21/811670321.db2.gz TVNRFDJYARYPGB-MRXNPFEDSA-N 0 3 292.398 2.074 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccoc2C)C1 ZINC001046130109 811691873 /nfs/dbraw/zinc/69/18/73/811691873.db2.gz NZZWUOJNMHHPDV-OAHLLOKOSA-N 0 3 262.353 2.358 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2c(C)oc(C)c2C)C1 ZINC001046466132 811758871 /nfs/dbraw/zinc/75/88/71/811758871.db2.gz BUCVBQMERNOVIP-KRWDZBQOSA-N 0 3 288.391 2.422 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001046609370 811784831 /nfs/dbraw/zinc/78/48/31/811784831.db2.gz HXUCMEJEIKXYCQ-CQSZACIVSA-N 0 3 298.337 2.118 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1CC1)C2 ZINC001109099089 811821584 /nfs/dbraw/zinc/82/15/84/811821584.db2.gz LENLJGICWJJPLK-ILXRZTDVSA-N 0 3 262.397 2.474 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(CC)cc2)C1 ZINC001046810976 811822065 /nfs/dbraw/zinc/82/20/65/811822065.db2.gz IWJHVYOEQDSNJQ-GOSISDBHSA-N 0 3 284.403 2.467 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(COC)CC1)C2 ZINC001109262056 811854779 /nfs/dbraw/zinc/85/47/79/811854779.db2.gz CBDOMMNSKIQXNX-ILXRZTDVSA-N 0 3 292.423 2.101 20 30 CEEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC ZINC001109340935 811862889 /nfs/dbraw/zinc/86/28/89/811862889.db2.gz WXUAMMSTCHOKFG-ILXRZTDVSA-N 0 3 294.439 2.347 20 30 CEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)c3cc[nH]c3)C2)CC1 ZINC001047238755 811872227 /nfs/dbraw/zinc/87/22/27/811872227.db2.gz JJLHFALAHNFZKS-QGZVFWFLSA-N 0 3 299.418 2.212 20 30 CEEDHN C[C@H](NCc1ccccc1C#N)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001047672690 811892708 /nfs/dbraw/zinc/89/27/08/811892708.db2.gz QLNPGSQTDSUIPM-SUMWQHHRSA-N 0 3 297.402 2.295 20 30 CEEDHN C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCC#C ZINC001109604329 811914929 /nfs/dbraw/zinc/91/49/29/811914929.db2.gz DLDCIPKDIFMILW-IKGGRYGDSA-N 0 3 286.419 2.315 20 30 CEEDHN CCc1cncc(C(=O)C(C#N)c2nccn2CC)c1 ZINC001123234597 815491869 /nfs/dbraw/zinc/49/18/69/815491869.db2.gz YCRUXVPTBXZPPG-CYBMUJFWSA-N 0 3 268.320 2.350 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cccc1)C2 ZINC001109885772 811966707 /nfs/dbraw/zinc/96/67/07/811966707.db2.gz WXFKSSBLUUYGAY-PMPSAXMXSA-N 0 3 287.407 2.176 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1cccnc1)C2 ZINC001096371836 811984590 /nfs/dbraw/zinc/98/45/90/811984590.db2.gz WEPCYSHQAXKVEL-ORQFMDKSSA-N 0 3 299.418 2.483 20 30 CEEDHN C=CCC[C@H](C)N1CCN(C(=O)C2=COCCC2)CC1 ZINC001112679220 812039702 /nfs/dbraw/zinc/03/97/02/812039702.db2.gz WJLZRHTXFWRGIL-AWEZNQCLSA-N 0 3 278.396 2.180 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCC[C@H]3CCC)C[C@@H]2C1 ZINC001048903738 812040454 /nfs/dbraw/zinc/04/04/54/812040454.db2.gz LYDJLAIFZAFJRN-WCXIOVBPSA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H]3CCC[C@H]3CCC)C[C@@H]2C1 ZINC001048903734 812040789 /nfs/dbraw/zinc/04/07/89/812040789.db2.gz LYDJLAIFZAFJRN-NCOADZHNSA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@@]3(CC)C(C)C)C[C@@H]2C1 ZINC001049141637 812077236 /nfs/dbraw/zinc/07/72/36/812077236.db2.gz VNHJPHFRLHBHHE-DFGXFYAUSA-N 0 3 288.435 2.082 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)c3ccc(C)cc3)C[C@@H]2C1 ZINC001049178246 812083382 /nfs/dbraw/zinc/08/33/82/812083382.db2.gz GWXYZYVPIMUGEX-RYQLBKOJSA-N 0 3 296.414 2.122 20 30 CEEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccn1 ZINC001049287000 812109215 /nfs/dbraw/zinc/10/92/15/812109215.db2.gz UXFDGKROESTPFS-HOTGVXAUSA-N 0 3 285.391 2.337 20 30 CEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C)o1 ZINC001049306032 812112871 /nfs/dbraw/zinc/11/28/71/812112871.db2.gz IFMMGUCRBXLRFB-KBPBESRZSA-N 0 3 274.364 2.453 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C)n1C ZINC001049319458 812116625 /nfs/dbraw/zinc/11/66/25/812116625.db2.gz WTICFTFVDRGXSY-HUUCEWRRSA-N 0 3 287.407 2.198 20 30 CEEDHN C#CCCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C ZINC001049321936 812117892 /nfs/dbraw/zinc/11/78/92/812117892.db2.gz KJXJQOHMHUJPED-GJZGRUSLSA-N 0 3 286.375 2.290 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc[nH]c1C ZINC001049409096 812139524 /nfs/dbraw/zinc/13/95/24/812139524.db2.gz YURLSRZEIZCRGD-HZPDHXFCSA-N 0 3 285.391 2.025 20 30 CEEDHN CCn1ccnc1C(C#N)C(=O)C[C@@H]1CCCCO1 ZINC001123337565 815505670 /nfs/dbraw/zinc/50/56/70/815505670.db2.gz HHYMPKBQFDAECS-NWDGAFQWSA-N 0 3 261.325 2.038 20 30 CEEDHN CCn1ccnc1C(C#N)C(=O)C[C@H]1CCCCO1 ZINC001123337564 815505749 /nfs/dbraw/zinc/50/57/49/815505749.db2.gz HHYMPKBQFDAECS-NEPJUHHUSA-N 0 3 261.325 2.038 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc[nH]c1CC ZINC001049455016 812149293 /nfs/dbraw/zinc/14/92/93/812149293.db2.gz WGEMDIRNPQTOFR-HZPDHXFCSA-N 0 3 287.407 2.442 20 30 CEEDHN C=CCN1CCC[C@H]1c1ccc(NCC(=O)CCO)cc1 ZINC001170101067 812150806 /nfs/dbraw/zinc/15/08/06/812150806.db2.gz ODRVGVMZQKTJNW-KRWDZBQOSA-N 0 3 288.391 2.373 20 30 CEEDHN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1nocc1C ZINC001049832841 812216008 /nfs/dbraw/zinc/21/60/08/812216008.db2.gz ZAHWKIRPVMYKLX-KGLIPLIRSA-N 0 3 289.379 2.238 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)C3CCCC3)[C@@H]2C1 ZINC001049946855 812235777 /nfs/dbraw/zinc/23/57/77/812235777.db2.gz XNNZQEJSCFQXEH-LSDHHAIUSA-N 0 3 262.397 2.285 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C#C)cc1)C2 ZINC001097626775 812382200 /nfs/dbraw/zinc/38/22/00/812382200.db2.gz VINOJSJJNHVUED-KURKYZTESA-N 0 3 292.382 2.026 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2cc(C)ccc2F)CC1 ZINC001052745872 812453881 /nfs/dbraw/zinc/45/38/81/812453881.db2.gz PWBQZVFIFGPQGC-CQSZACIVSA-N 0 3 288.366 2.352 20 30 CEEDHN C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001053060501 812486800 /nfs/dbraw/zinc/48/68/00/812486800.db2.gz ADTMMDUQPNZUSM-LSDHHAIUSA-N 0 3 294.414 2.461 20 30 CEEDHN C=CCN(C)C[C@H]1CCCCN1C(=O)C1CC(OCC)C1 ZINC001157897464 812522824 /nfs/dbraw/zinc/52/28/24/812522824.db2.gz FETJVGSXURYKFV-HWOWSKLDSA-N 0 3 294.439 2.300 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(OC(F)F)nc2)C1 ZINC001254644302 812523519 /nfs/dbraw/zinc/52/35/19/812523519.db2.gz RHCPPGCHDYRIAS-MWLCHTKSSA-N 0 3 267.279 2.465 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccncc1)C2 ZINC001054072821 812530099 /nfs/dbraw/zinc/53/00/99/812530099.db2.gz DDDDFADCUCWKKZ-SFHVURJKSA-N 0 3 297.402 2.033 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)C1(CC)CC1)C2 ZINC001054192540 812547943 /nfs/dbraw/zinc/54/79/43/812547943.db2.gz ZXQRBXJTWRBNLW-MRXNPFEDSA-N 0 3 274.408 2.124 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC13CC3)C2 ZINC001054204132 812550097 /nfs/dbraw/zinc/55/00/97/812550097.db2.gz NXXMNKDQRWPLSM-WBVHZDCISA-N 0 3 286.419 2.124 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCN(C(=O)c1cccn1CC)C2 ZINC001054240800 812553066 /nfs/dbraw/zinc/55/30/66/812553066.db2.gz CJIRAOYYSRRGPP-SFHVURJKSA-N 0 3 299.418 2.069 20 30 CEEDHN C=CCOc1ccc(C(=O)NCCNC[C@@H](F)CC)cc1 ZINC001130371410 812561885 /nfs/dbraw/zinc/56/18/85/812561885.db2.gz RIDOHUUDLSEGDJ-AWEZNQCLSA-N 0 3 294.370 2.319 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](C(F)(F)F)[C@H]2CO)C1 ZINC001254661544 812565724 /nfs/dbraw/zinc/56/57/24/812565724.db2.gz VJFYSNWZMDHAGM-DDHJBXDOSA-N 0 3 276.302 2.314 20 30 CEEDHN CC#CCNCCNC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 ZINC001131064547 812635451 /nfs/dbraw/zinc/63/54/51/812635451.db2.gz QCPDXBOYABNJJE-UKRRQHHQSA-N 0 3 288.391 2.065 20 30 CEEDHN COC(=O)[C@@H]1CC[C@@H](N(CCC#N)C2CCCC2)C1 ZINC001170549743 812654280 /nfs/dbraw/zinc/65/42/80/812654280.db2.gz KKRDOEWVWAEXGG-TZMCWYRMSA-N 0 3 264.369 2.486 20 30 CEEDHN Cc1c(C#N)c(N[C@H](C)[C@H]2CNCCO2)nc2ccccc12 ZINC001170572746 812694108 /nfs/dbraw/zinc/69/41/08/812694108.db2.gz RYWHFYXFHFYAES-MLGOLLRUSA-N 0 3 296.374 2.204 20 30 CEEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NCCF)C1 ZINC001000091836 812750879 /nfs/dbraw/zinc/75/08/79/812750879.db2.gz KCHCDKBBFRMHAF-TZMCWYRMSA-N 0 3 256.365 2.139 20 30 CEEDHN C=CCN1C[C@H](NC(=O)CCC(F)(F)F)CC[C@@H]1C ZINC001131925841 812757241 /nfs/dbraw/zinc/75/72/41/812757241.db2.gz DUEQMWSHEXLSLU-WDEREUQCSA-N 0 3 278.318 2.484 20 30 CEEDHN C#CCCCCC(=O)N[C@H]1CC[C@@H](C)N(CCOCC)C1 ZINC001131975781 812764103 /nfs/dbraw/zinc/76/41/03/812764103.db2.gz DIWKXVLZMUHBST-CVEARBPZSA-N 0 3 294.439 2.186 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)/C=C/c3ccc[nH]3)[C@@H]2C1 ZINC001050029887 812773913 /nfs/dbraw/zinc/77/39/13/812773913.db2.gz CAKFQDNOLDPSAO-WIPWUNCGSA-N 0 3 285.391 2.137 20 30 CEEDHN CC#CCN1C[C@@H]2CCCN(C(=O)[C@H](C)C3CCC3)[C@@H]2C1 ZINC001050074673 812780031 /nfs/dbraw/zinc/78/00/31/812780031.db2.gz NGFATFXDXCVRSR-HYVNUMGLSA-N 0 3 288.435 2.369 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)C2(COCC)CC2)CC[C@H]1C ZINC001132135083 812790203 /nfs/dbraw/zinc/79/02/03/812790203.db2.gz CYJOFQVTVNUDJG-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)COC)CC[C@H]1C ZINC001132178612 812796253 /nfs/dbraw/zinc/79/62/53/812796253.db2.gz SZHOZJRAPZPVAI-KGLIPLIRSA-N 0 3 282.428 2.204 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)[C@@H]3CCC[C@@H](F)C3)C2)CC1 ZINC001050518497 812834756 /nfs/dbraw/zinc/83/47/56/812834756.db2.gz APDLSZIGVRTNCQ-HUUCEWRRSA-N 0 3 292.398 2.072 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)C[C@@H]3C=CCCC3)C2)CC1 ZINC001050561618 812838551 /nfs/dbraw/zinc/83/85/51/812838551.db2.gz ZDNLCBHBUMSYKB-MRXNPFEDSA-N 0 3 286.419 2.290 20 30 CEEDHN C=CCOCCN1C[C@H](NC(=O)C(C)(C)C)CC[C@@H]1C ZINC001132433593 812850487 /nfs/dbraw/zinc/85/04/87/812850487.db2.gz OUWFMDFUYPKUHE-UONOGXRCSA-N 0 3 282.428 2.204 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)C(C)C)C2)CC1 ZINC001050687205 812851444 /nfs/dbraw/zinc/85/14/44/812851444.db2.gz ODZFZHUQEZYYHI-HNNXBMFYSA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)C3(F)CCCCC3)C2)CC1 ZINC001050719130 812854153 /nfs/dbraw/zinc/85/41/53/812854153.db2.gz UPDJTKJXYSZHEY-UHFFFAOYSA-N 0 3 292.398 2.216 20 30 CEEDHN C=C/C(C)=C/CC(=O)NCCNCc1ccc(C#N)cc1 ZINC001132493536 812869145 /nfs/dbraw/zinc/86/91/45/812869145.db2.gz SEUVLGPIJYOOHH-LNKIKWGQSA-N 0 3 283.375 2.286 20 30 CEEDHN CC#CCCCC(=O)NCCNCc1ccc(Cl)nc1 ZINC001132591032 812903244 /nfs/dbraw/zinc/90/32/44/812903244.db2.gz FAJAORAYFNMOJK-UHFFFAOYSA-N 0 3 293.798 2.134 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)NCCNCc1scnc1C ZINC001132653750 812913794 /nfs/dbraw/zinc/91/37/94/812913794.db2.gz REKWMIPXKFYLRR-NSHDSACASA-N 0 3 281.425 2.260 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)C2CC(F)(F)C2)CC1 ZINC001052292109 812964573 /nfs/dbraw/zinc/96/45/73/812964573.db2.gz BBECCZQQUNZNIR-ZDUSSCGKSA-N 0 3 284.350 2.026 20 30 CEEDHN C#CCN1CCC[C@H](NC(=O)C2CC(C)(C)C2)CC1 ZINC001052354429 812978870 /nfs/dbraw/zinc/97/88/70/812978870.db2.gz OKDPOFMYFMTMBA-AWEZNQCLSA-N 0 3 262.397 2.027 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)C2CC(C)(C)C2)CC1 ZINC001052356435 812981087 /nfs/dbraw/zinc/98/10/87/812981087.db2.gz ILHWEFUHZRNLJJ-HNNXBMFYSA-N 0 3 276.424 2.417 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)C(C)=C2CCC2)CC1 ZINC001052368388 812984928 /nfs/dbraw/zinc/98/49/28/812984928.db2.gz JZEMAUIGNXGZTE-INIZCTEOSA-N 0 3 274.408 2.481 20 30 CEEDHN C=CCCCC(=O)NCCNCc1cccc(F)c1 ZINC001133145379 813001358 /nfs/dbraw/zinc/00/13/58/813001358.db2.gz WUMURDONHOBIQI-UHFFFAOYSA-N 0 3 264.344 2.388 20 30 CEEDHN C=C[C@](C)(CC)C(=O)NCCNCc1cccnc1C ZINC001133379355 813043323 /nfs/dbraw/zinc/04/33/23/813043323.db2.gz YHIZJRCTWDVRRI-MRXNPFEDSA-N 0 3 275.396 2.198 20 30 CEEDHN CCC(=O)N[C@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001133418098 813052530 /nfs/dbraw/zinc/05/25/30/813052530.db2.gz HRUCIFJSJOYBFX-NWDGAFQWSA-N 0 3 291.370 2.480 20 30 CEEDHN C=C(C)CN(CC)Cc1ccnc(N2CCOCC2)c1 ZINC001137438167 813055858 /nfs/dbraw/zinc/05/58/58/813055858.db2.gz RKQVXWRYDKWWCE-UHFFFAOYSA-N 0 3 275.396 2.316 20 30 CEEDHN CCCC1(C(=O)NCCNCc2ccc(C#N)s2)CC1 ZINC001133460506 813073490 /nfs/dbraw/zinc/07/34/90/813073490.db2.gz DBTPTHMYGFRLSU-UHFFFAOYSA-N 0 3 291.420 2.406 20 30 CEEDHN C=C(C)CN1CC[C@]2(C1)CN(C(=O)C=C(C)C)C[C@H](C)O2 ZINC001071128723 813322828 /nfs/dbraw/zinc/32/28/28/813322828.db2.gz ATELWSAURCKFEF-RDJZCZTQSA-N 0 3 292.423 2.221 20 30 CEEDHN C=CCN1C[C@H](NC(=O)Cc2ccccc2)CC[C@H]1C ZINC001071615787 813450515 /nfs/dbraw/zinc/45/05/15/813450515.db2.gz GTTWKTZQPAKKCC-GDBMZVCRSA-N 0 3 272.392 2.384 20 30 CEEDHN C=CCN1C[C@H](NC(=O)c2ccn3cncc3c2)CC[C@H]1C ZINC001071652892 813461071 /nfs/dbraw/zinc/46/10/71/813461071.db2.gz QCMMFOLLMOJUET-UKRRQHHQSA-N 0 3 298.390 2.103 20 30 CEEDHN C=CCN1C[C@H](NC(=O)Cc2occc2C)CC[C@@H]1C ZINC001071812637 813488871 /nfs/dbraw/zinc/48/88/71/813488871.db2.gz URSKMPLAYHNRJB-UONOGXRCSA-N 0 3 276.380 2.286 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)N(CC(=C)C)C2)nc1 ZINC001071999092 813525574 /nfs/dbraw/zinc/52/55/74/813525574.db2.gz NEBBOATVDWEINB-GOEBONIOSA-N 0 3 297.402 2.222 20 30 CEEDHN CC(C)[C@H]1C[C@@H]1C(=O)NCCNCc1cccc(C#N)c1 ZINC001136062230 813593492 /nfs/dbraw/zinc/59/34/92/813593492.db2.gz XRLDHKARVLYXFE-CVEARBPZSA-N 0 3 285.391 2.056 20 30 CEEDHN CC[C@@]1(C)C[C@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001136089690 813613189 /nfs/dbraw/zinc/61/31/89/813613189.db2.gz MADBWUILSVTKKE-ZFWWWQNUSA-N 0 3 291.420 2.262 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CC[C@H](C)CC3)C2)C1 ZINC001073138816 813730257 /nfs/dbraw/zinc/73/02/57/813730257.db2.gz HPNRFMVZTMHVLC-WKILWMFISA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3ccc(F)cc3C)C2)C1 ZINC001073140297 813730743 /nfs/dbraw/zinc/73/07/43/813730743.db2.gz FQYIVRAFCRJMGA-UHFFFAOYSA-N 0 3 288.366 2.468 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C(C)(C)C(C)(F)F)C2)C1 ZINC001073152888 813731802 /nfs/dbraw/zinc/73/18/02/813731802.db2.gz PMZCMVRACFMWMB-UHFFFAOYSA-N 0 3 298.377 2.225 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)CC[C@H]3CC[C@H](C)O3)C2)C1 ZINC001073449070 813754051 /nfs/dbraw/zinc/75/40/51/813754051.db2.gz LVOQQEJOTJJTJJ-LSDHHAIUSA-N 0 3 292.423 2.054 20 30 CEEDHN CN1CC2(C1)CCN(Cc1c(Cl)cccc1C#N)C2 ZINC001143732597 813864763 /nfs/dbraw/zinc/86/47/63/813864763.db2.gz SMEOWEVBUSHZSA-UHFFFAOYSA-N 0 3 275.783 2.349 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C=C2CCCCC2)C1 ZINC001098748864 813942505 /nfs/dbraw/zinc/94/25/05/813942505.db2.gz OLYDQJNRXDWCDO-WMZOPIPTSA-N 0 3 286.419 2.481 20 30 CEEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2coc(C)n2)C1 ZINC001098806153 813952038 /nfs/dbraw/zinc/95/20/38/813952038.db2.gz IUBWBXYMFGHCFO-BBRMVZONSA-N 0 3 289.379 2.143 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)COC ZINC001098958877 813968181 /nfs/dbraw/zinc/96/81/81/813968181.db2.gz AZMGKCONRYKRRD-KBPBESRZSA-N 0 3 282.428 2.062 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@](C)(O)C=C ZINC001099042998 813980480 /nfs/dbraw/zinc/98/04/80/813980480.db2.gz HMAKHGKZAAFXCT-PBHICJAKSA-N 0 3 294.439 2.106 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)nc2C)C1 ZINC001099174014 813991367 /nfs/dbraw/zinc/99/13/67/813991367.db2.gz SNWLIVBVDIPLJD-YJBOKZPZSA-N 0 3 299.418 2.469 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)CCCC(C)(C)C)[C@@H](O)C1 ZINC001099740707 814029702 /nfs/dbraw/zinc/02/97/02/814029702.db2.gz ILRWHVXAIFWJIY-GJZGRUSLSA-N 0 3 296.455 2.330 20 30 CEEDHN C#Cc1ccc(CN2CCC(NC(=O)OCC)CC2)cc1 ZINC001144581092 814114166 /nfs/dbraw/zinc/11/41/66/814114166.db2.gz NNDIIBJMHWXGEW-UHFFFAOYSA-N 0 3 286.375 2.378 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](F)C(C)C)C1 ZINC001100587101 814154172 /nfs/dbraw/zinc/15/41/72/814154172.db2.gz IWKPLNJYPKICAM-MCIGGMRASA-N 0 3 276.783 2.217 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(OC)o2)C1 ZINC001091297572 814205324 /nfs/dbraw/zinc/20/53/24/814205324.db2.gz MENAGNOAFZVPSP-UHFFFAOYSA-N 0 3 298.770 2.139 20 30 CEEDHN CNc1cccc(NC(=N)c2ccc(C(N)=O)cc2)c1C ZINC001171260778 814241729 /nfs/dbraw/zinc/24/17/29/814241729.db2.gz NFPATOOUYPSZMU-UHFFFAOYSA-N 0 3 282.347 2.173 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@](C)(F)CCCC)C[C@]2(C)C1 ZINC001101283062 814242382 /nfs/dbraw/zinc/24/23/82/814242382.db2.gz QOUOTFYELBJULN-PVAVHDDUSA-N 0 3 294.414 2.318 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CN(CC#CC)C[C@@]2(C)C1 ZINC001101337526 814249581 /nfs/dbraw/zinc/24/95/81/814249581.db2.gz CEGNGSGPSXGJFR-NUJGCVRESA-N 0 3 288.435 2.392 20 30 CEEDHN C[C@@H]1CN(C/C=C/Cl)C[C@H]1CNC(=O)C#CC(C)(C)C ZINC001101956151 814348568 /nfs/dbraw/zinc/34/85/68/814348568.db2.gz SCPFDUFHNZHGEG-QLNSKBQOSA-N 0 3 296.842 2.473 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)CC(C)(C)C ZINC001114937844 814421808 /nfs/dbraw/zinc/42/18/08/814421808.db2.gz UHENHWCQRWKZPM-MQYQWHSLSA-N 0 3 264.413 2.291 20 30 CEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C#CC2CC2)C1 ZINC001102963005 814446448 /nfs/dbraw/zinc/44/64/48/814446448.db2.gz HIZHMVXTEPKKCB-IUODEOHRSA-N 0 3 294.826 2.227 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](CC)CC(F)F)C2)C1 ZINC001147704656 814483848 /nfs/dbraw/zinc/48/38/48/814483848.db2.gz XITDWMOPAOLPHB-ZDUSSCGKSA-N 0 3 298.377 2.225 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@H](CC)CC(F)F)C2)C1 ZINC001147723839 814489403 /nfs/dbraw/zinc/48/94/03/814489403.db2.gz DTVIRCMMTIDECR-GFCCVEGCSA-N 0 3 286.366 2.388 20 30 CEEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001103329078 814490505 /nfs/dbraw/zinc/49/05/05/814490505.db2.gz CRRYVAWYYPSYGP-UNJBNNCHSA-N 0 3 284.831 2.469 20 30 CEEDHN CC#CCCCC(=O)NCC[C@@H]1CN(CCF)C[C@H]1C ZINC001103339988 814493529 /nfs/dbraw/zinc/49/35/29/814493529.db2.gz KGTVIYJLVALOKZ-HUUCEWRRSA-N 0 3 282.403 2.224 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)CC(F)(F)F)C2)C1 ZINC001147966032 814514401 /nfs/dbraw/zinc/51/44/01/814514401.db2.gz SIVQAGFYZJVLIX-LLVKDONJSA-N 0 3 290.329 2.295 20 30 CEEDHN CC#CCNCCNC(=O)C(C)(C)c1ccc(C)cc1 ZINC001148345470 814553728 /nfs/dbraw/zinc/55/37/28/814553728.db2.gz ZBJFONGHQZYJFT-UHFFFAOYSA-N 0 3 272.392 2.002 20 30 CEEDHN CCCCC[C@@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000691560848 814595374 /nfs/dbraw/zinc/59/53/74/814595374.db2.gz MSFPJXUVPPYBPE-OLZOCXBDSA-N 0 3 253.390 2.483 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)/C=C(\C)CC)C1 ZINC001111738019 814603180 /nfs/dbraw/zinc/60/31/80/814603180.db2.gz VVINLIRTSGAQBH-JGNWAGBRSA-N 0 3 274.408 2.337 20 30 CEEDHN CC#CCN1CCC2(C[C@@H](C)N(C(=O)C(C)(F)F)C2)CC1 ZINC001086898435 814646282 /nfs/dbraw/zinc/64/62/82/814646282.db2.gz IKWQNENVLZZDTL-CYBMUJFWSA-N 0 3 298.377 2.368 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)C3CC=CC3)C2)CC1 ZINC001086911978 814648789 /nfs/dbraw/zinc/64/87/89/814648789.db2.gz FQEAVEBQXUCXPR-HNNXBMFYSA-N 0 3 286.419 2.289 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](F)C(C)C)C2)CC1 ZINC001086938562 814653391 /nfs/dbraw/zinc/65/33/91/814653391.db2.gz UIMSROXNRSJMNK-HUUCEWRRSA-N 0 3 294.414 2.317 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](C)C3CCC3)C[C@]2(C)C1 ZINC001091776891 814672275 /nfs/dbraw/zinc/67/22/75/814672275.db2.gz PDKKKBIHUWVVOM-KYJSFNMBSA-N 0 3 288.435 2.226 20 30 CEEDHN C=C(Cl)CNC1(CNC(=O)c2cn[nH]c2)CCCCC1 ZINC001115423156 814704606 /nfs/dbraw/zinc/70/46/06/814704606.db2.gz ARCZTRKZZWSBIS-UHFFFAOYSA-N 0 3 296.802 2.185 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2c(C)oc(C)c2C)[C@H](C)C1 ZINC001092802789 814727036 /nfs/dbraw/zinc/72/70/36/814727036.db2.gz CLPUDDKUHUJMKI-IAQYHMDHSA-N 0 3 288.391 2.136 20 30 CEEDHN C=CCO[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC001116576279 814867076 /nfs/dbraw/zinc/86/70/76/814867076.db2.gz UGJLJTUFDLETMS-AWEZNQCLSA-N 0 3 277.364 2.481 20 30 CEEDHN C=CCCC(=O)NCCNCc1cc(F)ccc1C ZINC001124636143 815624143 /nfs/dbraw/zinc/62/41/43/815624143.db2.gz JJVZVGJGURGGLA-UHFFFAOYSA-N 0 3 264.344 2.306 20 30 CEEDHN N#CCC1CCC(N2CCN(c3cccnn3)CC2)CC1 ZINC001173340132 815682330 /nfs/dbraw/zinc/68/23/30/815682330.db2.gz YVLLZOXFCGQVGA-UHFFFAOYSA-N 0 3 285.395 2.071 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1C=CCC1)C2 ZINC001095159191 815717953 /nfs/dbraw/zinc/71/79/53/815717953.db2.gz NYVSUBJVLATZAW-WCVJEAGWSA-N 0 3 272.392 2.088 20 30 CEEDHN CCOC(=O)C(C#N)NC(=O)Nc1ccc(C(C)C)cc1 ZINC001202930123 816017810 /nfs/dbraw/zinc/01/78/10/816017810.db2.gz MTSLOFRQUAFKDF-CYBMUJFWSA-N 0 3 289.335 2.387 20 30 CEEDHN C[C@H]1CN(Cc2ccc(C#N)c(F)c2)CCC[C@H]1O ZINC001139526946 816039611 /nfs/dbraw/zinc/03/96/11/816039611.db2.gz PMYSDGSKWJZAQL-XHDPSFHLSA-N 0 3 262.328 2.290 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)C1(CCOC)CCC1 ZINC001174637488 816055232 /nfs/dbraw/zinc/05/52/32/816055232.db2.gz QQCMHASXVSVDQA-UHFFFAOYSA-N 0 3 288.819 2.042 20 30 CEEDHN CCOC(=O)[C@@H]1CCN(Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139703228 816090543 /nfs/dbraw/zinc/09/05/43/816090543.db2.gz MBQFGUSXKFZNSP-CYBMUJFWSA-N 0 3 297.358 2.425 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@@H](OC)C1CCCC1 ZINC001174803750 816092337 /nfs/dbraw/zinc/09/23/37/816092337.db2.gz CJIVCJSTVVXVKF-ZDUSSCGKSA-N 0 3 288.819 2.040 20 30 CEEDHN Cc1ccc(CN2C[C@H]3OC[C@@H](C)[C@H]3C2)cc1C#N ZINC001139725933 816097058 /nfs/dbraw/zinc/09/70/58/816097058.db2.gz KFOCLPFSKRWCGP-DAXOMENPSA-N 0 3 256.349 2.333 20 30 CEEDHN Cc1ccc([C@@H](C)NC(=O)[C@H](N)CCCC#N)s1 ZINC000691576773 816127160 /nfs/dbraw/zinc/12/71/60/816127160.db2.gz YVLICAMVJKAGBA-GHMZBOCLSA-N 0 3 265.382 2.255 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)c1csc(C#N)c1 ZINC001139873908 816132344 /nfs/dbraw/zinc/13/23/44/816132344.db2.gz HVKVDTGRVMXMTJ-UHFFFAOYSA-N 0 3 277.393 2.200 20 30 CEEDHN Cn1cc(NC2=CCN(Cc3ccccc3)CC2)c(C#N)n1 ZINC001175504429 816216286 /nfs/dbraw/zinc/21/62/86/816216286.db2.gz AXOHJFZYCJTRQA-UHFFFAOYSA-N 0 3 293.374 2.493 20 30 CEEDHN CN(C)C1CN(Cc2cc(C#N)ccc2Br)C1 ZINC001141655067 816575654 /nfs/dbraw/zinc/57/56/54/816575654.db2.gz UHVLZCFNOKWSCN-UHFFFAOYSA-N 0 3 294.196 2.067 20 30 CEEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc2cc(O)ccc2[nH]1 ZINC001149509559 816872467 /nfs/dbraw/zinc/87/24/67/816872467.db2.gz HXCYWTGZAILASE-ZDUSSCGKSA-N 0 3 299.374 2.254 20 30 CEEDHN Cc1cc([C@@H](C)NCCc2cccc(C#N)c2)nn1C ZINC000337480039 214110058 /nfs/dbraw/zinc/11/00/58/214110058.db2.gz QGILVGBCRTVUDP-CYBMUJFWSA-N 0 3 268.364 2.494 20 30 CEEDHN CC(C#N)C(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000336284319 365546534 /nfs/dbraw/zinc/54/65/34/365546534.db2.gz ZWIODRQKHBAWDI-SECBINFHSA-N 0 3 263.366 2.140 20 30 CEEDHN C=CCN(CC=C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000298722644 260162443 /nfs/dbraw/zinc/16/24/43/260162443.db2.gz MYLCECDJSHQOGS-CQSZACIVSA-N 0 3 265.401 2.102 20 30 CEEDHN C=CCC[C@@H](O)CN1CCN(Cc2cccc(C)c2)CC1 ZINC000033918157 361785292 /nfs/dbraw/zinc/78/52/92/361785292.db2.gz BMMBQGGAUSWYAB-GOSISDBHSA-N 0 3 288.435 2.440 20 30 CEEDHN CN(CCc1ccccn1)C[C@H](O)c1ccc(C#N)cc1 ZINC000034674323 361793144 /nfs/dbraw/zinc/79/31/44/361793144.db2.gz OWYUNMRACUPGDU-KRWDZBQOSA-N 0 3 281.359 2.161 20 30 CEEDHN CCc1nnc(N(C)CCN2CCCC2)c(C#N)c1CC ZINC000124968306 187163613 /nfs/dbraw/zinc/16/36/13/187163613.db2.gz UWASYXVMPAKFBC-UHFFFAOYSA-N 0 3 287.411 2.005 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccccc1C ZINC000124670768 365657824 /nfs/dbraw/zinc/65/78/24/365657824.db2.gz GEPRRZSSGZIEEB-OLZOCXBDSA-N 0 3 289.379 2.046 20 30 CEEDHN C[C@H](NC(=O)c1cccc(F)c1C#N)C1=CCN(C)CC1 ZINC000336583864 365677657 /nfs/dbraw/zinc/67/76/57/365677657.db2.gz JLZLQUOJRZQOGC-NSHDSACASA-N 0 3 287.338 2.078 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCCCCC1 ZINC000125689276 365682160 /nfs/dbraw/zinc/68/21/60/365682160.db2.gz WKSLSLSJRYYHBM-AWEZNQCLSA-N 0 3 250.386 2.452 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC2(CCCC2=O)CC1 ZINC000621321860 349558811 /nfs/dbraw/zinc/55/88/11/349558811.db2.gz AZBBPDACOQLMQH-CYBMUJFWSA-N 0 3 278.396 2.122 20 30 CEEDHN C=CCN[C@H](CO)c1ccc(Br)cc1 ZINC000273097696 192042069 /nfs/dbraw/zinc/04/20/69/192042069.db2.gz LITCIGNFUTYNRM-LLVKDONJSA-N 0 3 256.143 2.258 20 30 CEEDHN CC[C@](C)(C#N)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000601774760 346895210 /nfs/dbraw/zinc/89/52/10/346895210.db2.gz DLDBHCKDCZDRCB-OAHLLOKOSA-N 0 3 289.383 2.028 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])CCN1C ZINC000125954254 187207227 /nfs/dbraw/zinc/20/72/27/187207227.db2.gz SFSMRMYSMFJUAG-PWSUYJOCSA-N 0 3 274.324 2.361 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)CC)CC1 ZINC000080682313 344019854 /nfs/dbraw/zinc/01/98/54/344019854.db2.gz LHXLBOSPUKVYGN-UONOGXRCSA-N 0 3 264.413 2.273 20 30 CEEDHN CCO[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000042422310 362093839 /nfs/dbraw/zinc/09/38/39/362093839.db2.gz AVIPPCWEELKIFU-MRXNPFEDSA-N 0 3 274.364 2.438 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CCCC(C)(C)CC1 ZINC000127104054 365732787 /nfs/dbraw/zinc/73/27/87/365732787.db2.gz ZFTAIHTWBVJQIK-CYBMUJFWSA-N 0 3 265.401 2.259 20 30 CEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1sccc1C#N ZINC000336617291 365725073 /nfs/dbraw/zinc/72/50/73/365725073.db2.gz VNZSIGPQJSENOF-DGCLKSJQSA-N 0 3 289.404 2.319 20 30 CEEDHN C#CCOc1ccc(CN2[C@@H]3CC[C@H]2CC(O)C3)cc1 ZINC000126713791 187257573 /nfs/dbraw/zinc/25/75/73/187257573.db2.gz ZYGWRCPARUYEHY-XYPWUTKMSA-N 0 3 271.360 2.186 20 30 CEEDHN C[C@@H](CN1CCCCC1)NC(=O)CCc1ccc(C#N)cc1 ZINC000032663930 343414864 /nfs/dbraw/zinc/41/48/64/343414864.db2.gz VLSYOHZSYYWJKS-HNNXBMFYSA-N 0 3 299.418 2.481 20 30 CEEDHN CC1(C)CN(C[C@@H](O)CC2(C#N)CCOCC2)[C@H]1C1CC1 ZINC000601955740 346942137 /nfs/dbraw/zinc/94/21/37/346942137.db2.gz BLIANEOJBDMQEH-GJZGRUSLSA-N 0 3 292.423 2.178 20 30 CEEDHN CCCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1CC1 ZINC000046092989 343492902 /nfs/dbraw/zinc/49/29/02/343492902.db2.gz NJHNARKEDFSUFR-OAHLLOKOSA-N 0 3 265.401 2.305 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccoc1 ZINC000047011298 343509645 /nfs/dbraw/zinc/50/96/45/343509645.db2.gz BJPZPIMOTGFQIC-UHFFFAOYSA-N 0 3 297.358 2.355 20 30 CEEDHN Cn1cc(CN[C@@H]2CCN(Cc3ccccc3)C2)cc1C#N ZINC000336700006 365765249 /nfs/dbraw/zinc/76/52/49/365765249.db2.gz DMJXLDLJOGJRQD-QGZVFWFLSA-N 0 3 294.402 2.261 20 30 CEEDHN C=CCN1CCC(C(=O)N2CCCCCC2)CC1 ZINC000053136327 343571405 /nfs/dbraw/zinc/57/14/05/343571405.db2.gz RNXUCNIHQOPDGY-UHFFFAOYSA-N 0 3 250.386 2.287 20 30 CEEDHN CCc1nc([C@H](C)NC(=O)[C@@H]2CCCN2C2CC2)n[nH]1 ZINC000330301002 529745926 /nfs/dbraw/zinc/74/59/26/529745926.db2.gz ITZMHFLEKDWWOD-ONGXEEELSA-N 0 3 277.372 2.011 20 30 CEEDHN C=C[C@@H](C)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000128179267 365779526 /nfs/dbraw/zinc/77/95/26/365779526.db2.gz KASVBLQVEIVZPA-CQSZACIVSA-N 0 3 287.407 2.309 20 30 CEEDHN N#Cc1ccc(-c2ccc(N3CCNCC3)nc2)cc1 ZINC000059688909 343653785 /nfs/dbraw/zinc/65/37/85/343653785.db2.gz KOZNASZUCKDPJB-UHFFFAOYSA-N 0 3 264.332 2.030 20 30 CEEDHN Cc1nccn1CCCNCc1cccc(F)c1C#N ZINC000602003356 346955215 /nfs/dbraw/zinc/95/52/15/346955215.db2.gz IKDUTMWXCZUMGX-UHFFFAOYSA-N 0 3 272.327 2.382 20 30 CEEDHN C[C@@H](N[C@H]1CCCS(=O)(=O)CC1)c1cccc(C#N)c1 ZINC000602012237 346958434 /nfs/dbraw/zinc/95/84/34/346958434.db2.gz KWTUKFMPYZJQGG-DOMZBBRYSA-N 0 3 292.404 2.176 20 30 CEEDHN CNC(=O)C1CCC(NCc2cccc(F)c2C#N)CC1 ZINC000602006078 346956204 /nfs/dbraw/zinc/95/62/04/346956204.db2.gz JYOZIYBXWYIWFJ-UHFFFAOYSA-N 0 3 289.354 2.092 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000067706236 343742433 /nfs/dbraw/zinc/74/24/33/343742433.db2.gz MDMIVVDCIVNPTQ-HNNXBMFYSA-N 0 3 279.428 2.490 20 30 CEEDHN CCN(CC#N)C(=O)c1cccc(CN2CCCC2)c1 ZINC000068231930 343758389 /nfs/dbraw/zinc/75/83/89/343758389.db2.gz DTQJWYILTZXBIL-UHFFFAOYSA-N 0 3 271.364 2.268 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@H](OC)C(C)C ZINC000072924835 343815539 /nfs/dbraw/zinc/81/55/39/343815539.db2.gz YCFSTUCOHJNQBG-MRXNPFEDSA-N 0 3 261.365 2.459 20 30 CEEDHN CC(C#N)C(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602187721 346990615 /nfs/dbraw/zinc/99/06/15/346990615.db2.gz VVYVDHRKENFMQU-LBPRGKRZSA-N 0 3 282.347 2.121 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@H](C)C[C@H](C)O ZINC000077427746 343920376 /nfs/dbraw/zinc/92/03/76/343920376.db2.gz IWSYRTBWLKOOOA-KBPBESRZSA-N 0 3 261.365 2.195 20 30 CEEDHN C=CCCC[C@H](C)N1CCN(Cc2noc(C)n2)CC1 ZINC000091514355 344166403 /nfs/dbraw/zinc/16/64/03/344166403.db2.gz GIEBYRYNBABLQL-ZDUSSCGKSA-N 0 3 278.400 2.240 20 30 CEEDHN C[C@H](CCC#N)CN1CCN(c2ccc(O)cc2)CC1 ZINC000602429186 347029546 /nfs/dbraw/zinc/02/95/46/347029546.db2.gz NAFQRZBXTJPNAC-CQSZACIVSA-N 0 3 273.380 2.454 20 30 CEEDHN Cc1cccc2c1ncc(C#N)c2NCCN(C)C ZINC000090998448 344147654 /nfs/dbraw/zinc/14/76/54/344147654.db2.gz DMBRAJGQBFYXEF-UHFFFAOYSA-N 0 3 254.337 2.388 20 30 CEEDHN N#Cc1cccnc1Nc1cnn(CCN2CCCCC2)c1 ZINC000092978277 344209422 /nfs/dbraw/zinc/20/94/22/344209422.db2.gz JGYDRXXTQQCUOG-UHFFFAOYSA-N 0 3 296.378 2.379 20 30 CEEDHN Cc1noc([C@@H]2CCCN(C[C@@H](C)CCC#N)C2)n1 ZINC000602444987 347035732 /nfs/dbraw/zinc/03/57/32/347035732.db2.gz KUKFXFVOCHIQRN-WCQYABFASA-N 0 3 262.357 2.497 20 30 CEEDHN CO[C@H](CN(C)Cc1cccc(C#N)c1)C1CCOCC1 ZINC000602440219 347033295 /nfs/dbraw/zinc/03/32/95/347033295.db2.gz KCXLPGGBFHLFEM-QGZVFWFLSA-N 0 3 288.391 2.432 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CCC1CC1 ZINC000135266906 344381105 /nfs/dbraw/zinc/38/11/05/344381105.db2.gz BOEWYDUYVYOZTB-CYBMUJFWSA-N 0 3 277.412 2.449 20 30 CEEDHN C[C@@H](NC(=O)NC[C@H]1CCCN1C)c1ccc(C#N)cc1 ZINC000139808387 344395488 /nfs/dbraw/zinc/39/54/88/344395488.db2.gz JZSSMDYDUOYWSF-IUODEOHRSA-N 0 3 286.379 2.013 20 30 CEEDHN N#Cc1ccc(NC2CCN(Cc3ccccc3)CC2)nn1 ZINC000142696237 344403788 /nfs/dbraw/zinc/40/37/88/344403788.db2.gz JPQZWEHSNLCCAI-UHFFFAOYSA-N 0 3 293.374 2.425 20 30 CEEDHN Cc1cc(C)c(C#N)c(N[C@@H]2CCN(C)[C@@H](C)C2)n1 ZINC000227497515 344553689 /nfs/dbraw/zinc/55/36/89/344553689.db2.gz DXYASIUEJIMANK-QWHCGFSZSA-N 0 3 258.369 2.465 20 30 CEEDHN CC[C@H]1CN(C)CCCN1c1nccc(C)c1C#N ZINC000234178976 344583298 /nfs/dbraw/zinc/58/32/98/344583298.db2.gz KNNYCNMTTRLFGQ-ZDUSSCGKSA-N 0 3 258.369 2.182 20 30 CEEDHN C=CCC[C@H](O)CN(CCCO)Cc1ccccc1 ZINC000268963699 344665247 /nfs/dbraw/zinc/66/52/47/344665247.db2.gz JOLGQYSSLWGPSS-INIZCTEOSA-N 0 3 263.381 2.198 20 30 CEEDHN C=CC(C)(C)CCNC(=O)[C@H](N)CCCCC#N ZINC000602533143 347068914 /nfs/dbraw/zinc/06/89/14/347068914.db2.gz OKOYWSPTHQWPIG-GFCCVEGCSA-N 0 3 251.374 2.116 20 30 CEEDHN C#Cc1ccc(CNCCC(C)(C)C(=O)OC)cc1 ZINC000289674905 344682544 /nfs/dbraw/zinc/68/25/44/344682544.db2.gz ZICVKIZHURBKNV-UHFFFAOYSA-N 0 3 259.349 2.347 20 30 CEEDHN N#CCCOCCN1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000292658835 344688886 /nfs/dbraw/zinc/68/88/86/344688886.db2.gz AFJSQHRDSKANAK-ZIAGYGMSSA-N 0 3 278.352 2.098 20 30 CEEDHN CCN[C@@H](C)C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000602522733 347066273 /nfs/dbraw/zinc/06/62/73/347066273.db2.gz XFLZJLPQPUVUHT-LBPRGKRZSA-N 0 3 271.364 2.052 20 30 CEEDHN N#CC1CCC(NCCS(=O)(=O)c2ccccc2)CC1 ZINC000602529738 347067798 /nfs/dbraw/zinc/06/77/98/347067798.db2.gz OQRXJCWXUGYVFL-UHFFFAOYSA-N 0 3 292.404 2.132 20 30 CEEDHN COc1ccccc1[C@@H](CO)NC[C@@H](C)CCC#N ZINC000602552046 347074170 /nfs/dbraw/zinc/07/41/70/347074170.db2.gz QSMGDSLRQRYYDC-GXTWGEPZSA-N 0 3 262.353 2.258 20 30 CEEDHN CO[C@]1(C)C[C@@H](NCc2cccc(C#N)n2)C1(C)C ZINC000602559403 347076898 /nfs/dbraw/zinc/07/68/98/347076898.db2.gz IHOXMPWJIXLZJH-UKRRQHHQSA-N 0 3 259.353 2.246 20 30 CEEDHN C(#Cc1ccccc1)CN1CCC(c2nc[nH]n2)CC1 ZINC000364715946 344811992 /nfs/dbraw/zinc/81/19/92/344811992.db2.gz DYPMLVKFRYRQJR-UHFFFAOYSA-N 0 3 266.348 2.036 20 30 CEEDHN C[C@]12CCCC[C@H]1CN2C(=O)[C@H](N)CCCCC#N ZINC000602569268 347081732 /nfs/dbraw/zinc/08/17/32/347081732.db2.gz OPZKSOUAQSBTCA-GUTXKFCHSA-N 0 3 263.385 2.189 20 30 CEEDHN C=CCCCCCN1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000373290597 344819199 /nfs/dbraw/zinc/81/91/99/344819199.db2.gz BCHXNXHSZCXTDA-MRXNPFEDSA-N 0 3 294.439 2.446 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000390795143 344837822 /nfs/dbraw/zinc/83/78/22/344837822.db2.gz ZNWNJEVLGPKROA-IMJJTQAJSA-N 0 3 285.391 2.315 20 30 CEEDHN C#C[C@H](CC)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000491784930 344914330 /nfs/dbraw/zinc/91/43/30/344914330.db2.gz RKMSUPPRPZLJIW-OWCLPIDISA-N 0 3 285.391 2.143 20 30 CEEDHN CN(C)C/C=C\C(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000493760485 344919871 /nfs/dbraw/zinc/91/98/71/344919871.db2.gz VLDISUFLYBYUHV-YYRKOSNBSA-N 0 3 263.385 2.083 20 30 CEEDHN Cc1cc(CNCc2ccc(CC(N)=O)cc2)ccc1C#N ZINC000589320936 345077193 /nfs/dbraw/zinc/07/71/93/345077193.db2.gz WNUCCMWGITWFSU-UHFFFAOYSA-N 0 3 293.370 2.184 20 30 CEEDHN CCCC(=O)NC1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000590154159 345118145 /nfs/dbraw/zinc/11/81/45/345118145.db2.gz KCNVRRWUVSQCRA-JSGCOSHPSA-N 0 3 263.385 2.059 20 30 CEEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CCCC#N)C1 ZINC000589705323 345095175 /nfs/dbraw/zinc/09/51/75/345095175.db2.gz WUJXMQJFWBCXAP-MRXNPFEDSA-N 0 3 285.391 2.413 20 30 CEEDHN CC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)C(=O)NC ZINC000590780355 345180288 /nfs/dbraw/zinc/18/02/88/345180288.db2.gz TUUXTJFUNDYOQH-HUUCEWRRSA-N 0 3 271.364 2.050 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC1(C#N)CC1 ZINC000590327452 345129492 /nfs/dbraw/zinc/12/94/92/345129492.db2.gz JOGDGJFPHUAARE-HOCLYGCPSA-N 0 3 297.402 2.317 20 30 CEEDHN C[C@@]1(C#N)CCCN(C(=O)Nc2cccc(CN)c2)C1 ZINC000591310216 345238681 /nfs/dbraw/zinc/23/86/81/345238681.db2.gz KWDDVONPMQNWSE-HNNXBMFYSA-N 0 3 272.352 2.303 20 30 CEEDHN C[C@]1(C#N)CCCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000591359655 345244453 /nfs/dbraw/zinc/24/44/53/345244453.db2.gz BEKNIXRXVGXMQF-GDBMZVCRSA-N 0 3 286.379 2.022 20 30 CEEDHN N#C[C@@]1(F)CCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000590956980 345204655 /nfs/dbraw/zinc/20/46/55/345204655.db2.gz DMNZVNHHDKETGF-HOTGVXAUSA-N 0 3 273.355 2.198 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2CC[C@@H](C3CCC3)C2)cc1 ZINC000591061872 345215104 /nfs/dbraw/zinc/21/51/04/345215104.db2.gz LUZGCPDDKDZSQJ-QGZVFWFLSA-N 0 3 297.402 2.296 20 30 CEEDHN N#Cc1ccccc1N1CCN(CCC[C@H]2CCOC2)CC1 ZINC000592066411 345317764 /nfs/dbraw/zinc/31/77/64/345317764.db2.gz BWDZCAUYKIXQKX-INIZCTEOSA-N 0 3 299.418 2.497 20 30 CEEDHN CN(Cc1ccccc1)[C@@H]1CCN(c2cncc(C#N)n2)C1 ZINC000591459790 345258615 /nfs/dbraw/zinc/25/86/15/345258615.db2.gz KBBXMGIEEYPOED-MRXNPFEDSA-N 0 3 293.374 2.059 20 30 CEEDHN Cc1ccc2c(CCNC(=O)[C@H](N)CCCC#N)c[nH]c2c1 ZINC000591604640 345268784 /nfs/dbraw/zinc/26/87/84/345268784.db2.gz LVXMEIJYFWRZPX-OAHLLOKOSA-N 0 3 298.390 2.156 20 30 CEEDHN CSC[C@H](O)CNCc1ccc(C#N)c(Cl)c1 ZINC000591765716 345278551 /nfs/dbraw/zinc/27/85/51/345278551.db2.gz CEGTZSUAYXRVJE-LLVKDONJSA-N 0 3 270.785 2.025 20 30 CEEDHN Cc1ccc2nccc(N3CC[C@@](O)(CC#N)C3)c2c1 ZINC000591974033 345308531 /nfs/dbraw/zinc/30/85/31/345308531.db2.gz GGDDKZVQMHIRQX-INIZCTEOSA-N 0 3 267.332 2.398 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2ccnn2-c2ccccn2)C1 ZINC000592368877 345346954 /nfs/dbraw/zinc/34/69/54/345346954.db2.gz HNWITVKBSFDCHB-OLZOCXBDSA-N 0 3 267.336 2.049 20 30 CEEDHN C[C@@H]1SCC[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000592733995 345388995 /nfs/dbraw/zinc/38/89/95/345388995.db2.gz DKEUHIFENYOIES-GLQYFDAESA-N 0 3 299.399 2.251 20 30 CEEDHN CCCN(Cc1cnc2ccc(C#N)cn12)[C@@H]1CCN(C)C1 ZINC000592520691 345364402 /nfs/dbraw/zinc/36/44/02/345364402.db2.gz OMKNERYNWYZWPP-OAHLLOKOSA-N 0 3 297.406 2.122 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NC1(c2cccc(F)c2)CCC1 ZINC000592566901 345369856 /nfs/dbraw/zinc/36/98/56/345369856.db2.gz DQCWZCOXGBPEAC-AWEZNQCLSA-N 0 3 289.354 2.342 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1C1CCC1 ZINC000592569739 345370360 /nfs/dbraw/zinc/37/03/60/345370360.db2.gz CRSIMVJXOPDHCU-KBPBESRZSA-N 0 3 263.385 2.189 20 30 CEEDHN CCC[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccccn1 ZINC000592129243 345327862 /nfs/dbraw/zinc/32/78/62/345327862.db2.gz OLSMGGSUGSGLDA-TZMCWYRMSA-N 0 3 274.368 2.060 20 30 CEEDHN N#CC[C@]1(O)CCN(CC/C=C\c2ccccc2)C1 ZINC000592150111 345330005 /nfs/dbraw/zinc/33/00/05/345330005.db2.gz BAIRDEGIJRHSFH-FAOGRTBUSA-N 0 3 256.349 2.440 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc2cccnc21 ZINC000592956390 345416733 /nfs/dbraw/zinc/41/67/33/345416733.db2.gz GAPHXQUDIPAVQO-GFCCVEGCSA-N 0 3 268.320 2.194 20 30 CEEDHN COC(=O)CC1(NCc2ccc(C#N)c(C)c2)CC1 ZINC000593057036 345430068 /nfs/dbraw/zinc/43/00/68/345430068.db2.gz IELVQTYDIZSROY-UHFFFAOYSA-N 0 3 258.321 2.052 20 30 CEEDHN N#Cc1ccc(CN2CCC(Cn3cnnc3)CC2)cc1 ZINC000593078511 345434748 /nfs/dbraw/zinc/43/47/48/345434748.db2.gz ZWHOFFVDZHWMBH-UHFFFAOYSA-N 0 3 281.363 2.062 20 30 CEEDHN C[C@H](CO)C1CCN(CCOc2ccccc2C#N)CC1 ZINC000593085715 345435991 /nfs/dbraw/zinc/43/59/91/345435991.db2.gz VVDMZKMHNGTIGC-CQSZACIVSA-N 0 3 288.391 2.277 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(CC#N)cc1 ZINC000592824460 345400623 /nfs/dbraw/zinc/40/06/23/345400623.db2.gz LECIICUIALWCBN-ZIAGYGMSSA-N 0 3 285.391 2.242 20 30 CEEDHN CC[C@H](C#N)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000593480827 345494818 /nfs/dbraw/zinc/49/48/18/345494818.db2.gz NEPNSNHOTICKFA-CYBMUJFWSA-N 0 3 289.379 2.424 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H](n3cccn3)C2)cc1 ZINC000127415764 187304435 /nfs/dbraw/zinc/30/44/35/187304435.db2.gz XEVZBBVTKOJWMO-SJORKVTESA-N 0 3 296.374 2.125 20 30 CEEDHN CCC(C#N)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)OC ZINC000593686012 345520704 /nfs/dbraw/zinc/52/07/04/345520704.db2.gz JDQFAKHYPRGGMU-TZMCWYRMSA-N 0 3 288.347 2.126 20 30 CEEDHN CCC(C#N)C(=O)N(CC(=O)OC(C)(C)C)CC1CC1 ZINC000593823326 345543581 /nfs/dbraw/zinc/54/35/81/345543581.db2.gz RUXMBBKGVKBERQ-LBPRGKRZSA-N 0 3 280.368 2.116 20 30 CEEDHN C[C@H]1CN(CCNC2(c3ccc(C#N)cc3)CCC2)CCO1 ZINC000594032906 345570134 /nfs/dbraw/zinc/57/01/34/345570134.db2.gz DHFOQKCYPQRBBY-HNNXBMFYSA-N 0 3 299.418 2.248 20 30 CEEDHN COCCCN(C(=O)CCCCC#N)C1CCN(C)CC1 ZINC000594031834 345570171 /nfs/dbraw/zinc/57/01/71/345570171.db2.gz KUDIIJUPRXGDPY-UHFFFAOYSA-N 0 3 295.427 2.030 20 30 CEEDHN C=CCNC(=O)NC(=O)CN1CCC[C@@H]1CC1CCCC1 ZINC000594055042 345575386 /nfs/dbraw/zinc/57/53/86/345575386.db2.gz YAQNKGREJRMMIP-CQSZACIVSA-N 0 3 293.411 2.043 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000593613360 345513329 /nfs/dbraw/zinc/51/33/29/345513329.db2.gz NZNQBQOXXCVVBF-GZBFAFLISA-N 0 3 273.380 2.344 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CC[C@H](C)C1 ZINC000594304130 345610176 /nfs/dbraw/zinc/61/01/76/345610176.db2.gz AVYIPCOVRJIREA-LSDHHAIUSA-N 0 3 299.418 2.195 20 30 CEEDHN CC(C)(C#N)c1ccc(CN[C@H]2CCCCNC2=O)cc1 ZINC000594495353 345638229 /nfs/dbraw/zinc/63/82/29/345638229.db2.gz QZEYOPQXDFONMA-HNNXBMFYSA-N 0 3 285.391 2.246 20 30 CEEDHN CCCCn1nccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594425874 345625784 /nfs/dbraw/zinc/62/57/84/345625784.db2.gz BEJFKHYQVLUUGO-LBPRGKRZSA-N 0 3 277.372 2.033 20 30 CEEDHN Cc1ccccc1CNC(=O)[C@H](N)CCCCC#N ZINC000594425219 345626002 /nfs/dbraw/zinc/62/60/02/345626002.db2.gz GJWSWZBIEWIZGK-CQSZACIVSA-N 0 3 259.353 2.023 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCC1(c2ccccc2)CC1 ZINC000594426337 345626564 /nfs/dbraw/zinc/62/65/64/345626564.db2.gz CFFVUDODRBJADX-OAHLLOKOSA-N 0 3 285.391 2.246 20 30 CEEDHN CCCN(CC1CC1)C(=O)[C@@H](N)CCCCC#N ZINC000594427609 345627063 /nfs/dbraw/zinc/62/70/63/345627063.db2.gz VHBIAHAKJWLROP-ZDUSSCGKSA-N 0 3 251.374 2.046 20 30 CEEDHN COc1ccc(C)cc1NC(=O)[C@@H](N)CCCCC#N ZINC000594427910 345627419 /nfs/dbraw/zinc/62/74/19/345627419.db2.gz XJUGOXHSDVJZCZ-LBPRGKRZSA-N 0 3 275.352 2.353 20 30 CEEDHN CC(C)C[C@@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC000594430097 345627638 /nfs/dbraw/zinc/62/76/38/345627638.db2.gz YSBAEEBXRHSXOR-UONOGXRCSA-N 0 3 265.401 2.435 20 30 CEEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)C1CCCCC1 ZINC000594429491 345627755 /nfs/dbraw/zinc/62/77/55/345627755.db2.gz QNSGFTMPTXYGBX-GXTWGEPZSA-N 0 3 265.401 2.483 20 30 CEEDHN C[C@H](C1CC1)N(C(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000594429617 345627844 /nfs/dbraw/zinc/62/78/44/345627844.db2.gz UWBPUWWDIAYXIZ-BXUZGUMPSA-N 0 3 263.385 2.187 20 30 CEEDHN CC(C)N(CC1CC1)C(=O)[C@H](N)CCCCC#N ZINC000594429142 345628047 /nfs/dbraw/zinc/62/80/47/345628047.db2.gz RAGDJVOOEXSITD-CYBMUJFWSA-N 0 3 251.374 2.045 20 30 CEEDHN C[C@@H](Cc1ccsc1)NC(=O)[C@@H](N)CCCCC#N ZINC000594432034 345628618 /nfs/dbraw/zinc/62/86/18/345628618.db2.gz VULULWFITMLYMO-AAEUAGOBSA-N 0 3 279.409 2.207 20 30 CEEDHN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594433883 345629038 /nfs/dbraw/zinc/62/90/38/345629038.db2.gz IOALBAOJZARAAE-WQVCFCJDSA-N 0 3 285.391 2.447 20 30 CEEDHN CC(C)n1cc([C@@H](C)NC(=O)[C@H](N)CCCCC#N)cn1 ZINC000594434314 345629418 /nfs/dbraw/zinc/62/94/18/345629418.db2.gz NGUWKLYPZNPVNW-TZMCWYRMSA-N 0 3 291.399 2.052 20 30 CEEDHN Cc1ccc(CN(C)C(=O)[C@H](N)CCCCC#N)s1 ZINC000594435675 345629812 /nfs/dbraw/zinc/62/98/12/345629812.db2.gz FSCCIDCBROPORR-CYBMUJFWSA-N 0 3 279.409 2.426 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000594434692 345630131 /nfs/dbraw/zinc/63/01/31/345630131.db2.gz RLPZONYKVOENEP-GOEBONIOSA-N 0 3 285.391 2.244 20 30 CEEDHN CC[C@@H](c1ccncc1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594437220 345630335 /nfs/dbraw/zinc/63/03/35/345630335.db2.gz MDIPXKYIRXHDGK-CABCVRRESA-N 0 3 288.395 2.402 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCc2ccc(F)cc21 ZINC000594437331 345630831 /nfs/dbraw/zinc/63/08/31/345630831.db2.gz LKLZDUZBXFDSJP-ZDUSSCGKSA-N 0 3 275.327 2.126 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccccn1 ZINC000594441140 345631301 /nfs/dbraw/zinc/63/13/01/345631301.db2.gz NNUWGQZLNXKPBZ-ZFWWWQNUSA-N 0 3 286.379 2.156 20 30 CEEDHN CCc1ccccc1CNC(=O)[C@H](N)CCCCC#N ZINC000594442238 345631467 /nfs/dbraw/zinc/63/14/67/345631467.db2.gz CCVJNQKLLKZDMY-OAHLLOKOSA-N 0 3 273.380 2.276 20 30 CEEDHN COc1ccc(F)c(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594443017 345631841 /nfs/dbraw/zinc/63/18/41/345631841.db2.gz FYUYECNWIZRBIM-GFCCVEGCSA-N 0 3 279.315 2.184 20 30 CEEDHN CCCc1csc(NC(=O)[C@H](N)CCCCC#N)n1 ZINC000594443080 345632211 /nfs/dbraw/zinc/63/22/11/345632211.db2.gz KXLCWNCSFQUKKN-LLVKDONJSA-N 0 3 280.397 2.445 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1scnc1C1CC1 ZINC000594447518 345632548 /nfs/dbraw/zinc/63/25/48/345632548.db2.gz YBGWKMOWEVYQGC-JTQLQIEISA-N 0 3 278.381 2.370 20 30 CEEDHN COc1c(C)cccc1CNC(=O)[C@@H](N)CCCCC#N ZINC000594448694 345633207 /nfs/dbraw/zinc/63/32/07/345633207.db2.gz SRCBEESVEYIYMZ-AWEZNQCLSA-N 0 3 289.379 2.031 20 30 CEEDHN CCSCC[C@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000594448073 345633514 /nfs/dbraw/zinc/63/35/14/345633514.db2.gz ZTXUUMBYLWORBB-RYUDHWBXSA-N 0 3 271.430 2.046 20 30 CEEDHN CC1(C)CCC(NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594447854 345633553 /nfs/dbraw/zinc/63/35/53/345633553.db2.gz WAPRNZMEEXYYAU-ZDUSSCGKSA-N 0 3 265.401 2.483 20 30 CEEDHN N#Cc1cccnc1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594603374 345657508 /nfs/dbraw/zinc/65/75/08/345657508.db2.gz UQCGAAGWSBXAEH-ZIAGYGMSSA-N 0 3 256.353 2.382 20 30 CEEDHN C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)C(=O)NCCF ZINC000594524484 345643711 /nfs/dbraw/zinc/64/37/11/345643711.db2.gz QTIPJNBOBJFLJU-GFCCVEGCSA-N 0 3 291.370 2.052 20 30 CEEDHN N#CC1CCN(CCCOCC(F)(F)F)CC1 ZINC000057872328 362599517 /nfs/dbraw/zinc/59/95/17/362599517.db2.gz XRKBNPJTUKTCTG-UHFFFAOYSA-N 0 3 250.264 2.191 20 30 CEEDHN CC[C@@](C)(N)c1cn(CC2(C#N)CCCCC2)nn1 ZINC000594658180 345668707 /nfs/dbraw/zinc/66/87/07/345668707.db2.gz NAGDDTFUJLMSEK-CYBMUJFWSA-N 0 3 261.373 2.336 20 30 CEEDHN CC[C@H](C)CCNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000594717687 345677963 /nfs/dbraw/zinc/67/79/63/345677963.db2.gz FEBNTWAMENTZDI-ZDUSSCGKSA-N 0 3 294.420 2.358 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)NCCN1CCCCC1 ZINC000058452198 362631152 /nfs/dbraw/zinc/63/11/52/362631152.db2.gz HXJVDQOHWCIUDG-UHFFFAOYSA-N 0 3 286.379 2.474 20 30 CEEDHN N#CCC[C@@H](N[C@H]1CCCNC(=O)C1)c1ccccc1 ZINC000602579566 347086905 /nfs/dbraw/zinc/08/69/05/347086905.db2.gz ALFVEENDCSILKH-LSDHHAIUSA-N 0 3 271.364 2.290 20 30 CEEDHN CS(=O)(=O)C1(CN[C@H]2CCC[C@H](C#N)C2)CCCCC1 ZINC000595077038 345740120 /nfs/dbraw/zinc/74/01/20/345740120.db2.gz KZCHZFRXOUCUJH-KBPBESRZSA-N 0 3 298.452 2.406 20 30 CEEDHN C[C@H](NCC1(C#N)CCCCC1)C1CCS(=O)(=O)CC1 ZINC000595091405 345741351 /nfs/dbraw/zinc/74/13/51/345741351.db2.gz QGCZXFUOFJBNGA-ZDUSSCGKSA-N 0 3 298.452 2.263 20 30 CEEDHN CNCc1ccccc1NC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595236131 345746635 /nfs/dbraw/zinc/74/66/35/345746635.db2.gz IMHKQBFPYKYEIT-HNNXBMFYSA-N 0 3 272.352 2.173 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NC1CCC(C2CCC2)CC1 ZINC000595260058 345750871 /nfs/dbraw/zinc/75/08/71/345750871.db2.gz SWNNJFNNJHQSJX-YMAMQOFZSA-N 0 3 277.412 2.483 20 30 CEEDHN CCOC(=O)[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595288553 345754738 /nfs/dbraw/zinc/75/47/38/345754738.db2.gz NQQMOBICPJSCNM-MRXNPFEDSA-N 0 3 286.375 2.376 20 30 CEEDHN CC[C@H]1C[C@@H](NCCOc2ccc(C#N)cc2)CO1 ZINC000594929983 345706248 /nfs/dbraw/zinc/70/62/48/345706248.db2.gz QYXHFNCIAMKKQQ-KGLIPLIRSA-N 0 3 260.337 2.094 20 30 CEEDHN C[C@H](CC[S@](C)=O)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594932207 345707612 /nfs/dbraw/zinc/70/76/12/345707612.db2.gz NLILKJSIQSKYLL-XCLFUZPHSA-N 0 3 290.432 2.488 20 30 CEEDHN CCn1ccnc1CNCCc1ccc(C#N)cc1 ZINC000594956565 345715563 /nfs/dbraw/zinc/71/55/63/345715563.db2.gz WSFFBNIYSHTXNZ-UHFFFAOYSA-N 0 3 254.337 2.107 20 30 CEEDHN C[C@H]1CCC[C@H](CNCc2cnc3ccc(C#N)cn23)O1 ZINC000594984632 345721986 /nfs/dbraw/zinc/72/19/86/345721986.db2.gz KFMITQJDSSGVDW-SWLSCSKDSA-N 0 3 284.363 2.253 20 30 CEEDHN N#Cc1ccc(CNCC2(O)CCC(F)(F)CC2)o1 ZINC000594999635 345723992 /nfs/dbraw/zinc/72/39/92/345723992.db2.gz DXFYGLBFFLULGK-UHFFFAOYSA-N 0 3 270.279 2.181 20 30 CEEDHN COC[C@@H](CN(C)[C@@H](C)c1cccc(C#N)c1)OC ZINC000595549421 345809891 /nfs/dbraw/zinc/80/98/91/345809891.db2.gz IZAFACUBQJDWQC-SWLSCSKDSA-N 0 3 262.353 2.212 20 30 CEEDHN N#Cc1ccc(CCN2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000595352864 345766930 /nfs/dbraw/zinc/76/69/30/345766930.db2.gz PTQRNNAXSVYSDU-HOTGVXAUSA-N 0 3 288.416 2.307 20 30 CEEDHN C[C@H](NCCc1nnn(C(C)(C)C)n1)c1ccc(C#N)cc1 ZINC000595410111 345776350 /nfs/dbraw/zinc/77/63/50/345776350.db2.gz BLLJAAFKEYABSV-LBPRGKRZSA-N 0 3 298.394 2.193 20 30 CEEDHN Cn1ncc2c1CCCN(CCc1ccc(C#N)cc1)C2 ZINC000595535775 345805450 /nfs/dbraw/zinc/80/54/50/345805450.db2.gz QEKJFOGCBOZOGK-UHFFFAOYSA-N 0 3 280.375 2.283 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)n1 ZINC000602581908 347087896 /nfs/dbraw/zinc/08/78/96/347087896.db2.gz UBDVEEHMGFUFJL-RRFJBIMHSA-N 0 3 269.348 2.000 20 30 CEEDHN N#CC[C@H]1CCCN(CCN2CCC[C@@H](CC#N)C2)C1 ZINC000595620004 345829993 /nfs/dbraw/zinc/82/99/93/345829993.db2.gz JFQDLWNRVVYBSN-IYBDPMFKSA-N 0 3 274.412 2.238 20 30 CEEDHN C=CC[C@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000595658744 345839997 /nfs/dbraw/zinc/83/99/97/345839997.db2.gz IXAZDHIPRNTMPJ-KRWDZBQOSA-N 0 3 297.402 2.463 20 30 CEEDHN C=CC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595660418 345840914 /nfs/dbraw/zinc/84/09/14/345840914.db2.gz QRHPEBSCWHYTCS-LBPRGKRZSA-N 0 3 264.329 2.079 20 30 CEEDHN N#CCC[C@@H](C#N)CNC[C@@H]1CCN1Cc1ccccc1 ZINC000596052154 345928514 /nfs/dbraw/zinc/92/85/14/345928514.db2.gz UFQUFDAWPIOIMX-IRXDYDNUSA-N 0 3 282.391 2.294 20 30 CEEDHN COC(=O)[C@H]1C[C@@H](N(C)Cc2ccc(CC#N)cc2)C1 ZINC000595855062 345898680 /nfs/dbraw/zinc/89/86/80/345898680.db2.gz DMAAUBJJKDBCEQ-GASCZTMLSA-N 0 3 272.348 2.136 20 30 CEEDHN N#CCCCCN[C@@H](CO)c1ccc(F)cc1F ZINC000595868405 345900967 /nfs/dbraw/zinc/90/09/67/345900967.db2.gz WBMBUFJBSJABTM-ZDUSSCGKSA-N 0 3 254.280 2.282 20 30 CEEDHN CC(C)[C@@H]1C[C@@H](NCc2cccc(C#N)n2)CCO1 ZINC000602582780 347088743 /nfs/dbraw/zinc/08/87/43/347088743.db2.gz UNORTEFHXNIELX-WFASDCNBSA-N 0 3 259.353 2.246 20 30 CEEDHN COc1ccc(CN2C[C@@H](C)[C@](C)(CO)C2)cc1C#N ZINC000595869449 345902034 /nfs/dbraw/zinc/90/20/34/345902034.db2.gz DDKCTDDVQHPJCY-WBMJQRKESA-N 0 3 274.364 2.017 20 30 CEEDHN CC(C)[C@H]1C[C@@H](NCc2cccc(C#N)n2)CCO1 ZINC000602582778 347088669 /nfs/dbraw/zinc/08/86/69/347088669.db2.gz UNORTEFHXNIELX-SWLSCSKDSA-N 0 3 259.353 2.246 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000595936749 345914970 /nfs/dbraw/zinc/91/49/70/345914970.db2.gz CWJJSYUIZJSAMH-KBPBESRZSA-N 0 3 263.385 2.212 20 30 CEEDHN C=CCCSCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000595939156 345915467 /nfs/dbraw/zinc/91/54/67/345915467.db2.gz FXCGJWJIDQGRLG-HNNXBMFYSA-N 0 3 290.432 2.299 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000595945553 345916824 /nfs/dbraw/zinc/91/68/24/345916824.db2.gz GKRXDCLYVOEFRP-CABCVRRESA-N 0 3 277.412 2.436 20 30 CEEDHN Cn1ncc(C#N)c1N1CCCN(Cc2ccccc2)CC1 ZINC000596062033 345930922 /nfs/dbraw/zinc/93/09/22/345930922.db2.gz GNUOVHLPTOKXGY-UHFFFAOYSA-N 0 3 295.390 2.004 20 30 CEEDHN C[C@H](NCCOCCF)c1ccc(C#N)c(F)c1 ZINC000596095839 345938735 /nfs/dbraw/zinc/93/87/35/345938735.db2.gz RQZVUCKIGDXEEV-JTQLQIEISA-N 0 3 254.280 2.334 20 30 CEEDHN CC(C)N1CCCN(c2nc3ncccc3cc2C#N)CC1 ZINC000596109556 345942061 /nfs/dbraw/zinc/94/20/61/345942061.db2.gz DMWYKROUFSXXCI-UHFFFAOYSA-N 0 3 295.390 2.422 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)Nc1cccnc1C#N ZINC000596487831 346036606 /nfs/dbraw/zinc/03/66/06/346036606.db2.gz KHGXULOMJZACQI-ZDUSSCGKSA-N 0 3 258.369 2.486 20 30 CEEDHN C=CCCSCCNC(=O)N(C)CCN1CCCC1 ZINC000596722670 346080843 /nfs/dbraw/zinc/08/08/43/346080843.db2.gz ZFRFINCVGYNDKD-UHFFFAOYSA-N 0 3 285.457 2.033 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000596897507 346103405 /nfs/dbraw/zinc/10/34/05/346103405.db2.gz ZRWKKCURLSQFIN-IJEWVQPXSA-N 0 3 285.391 2.488 20 30 CEEDHN C[C@@H](CC#N)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000597025560 346117089 /nfs/dbraw/zinc/11/70/89/346117089.db2.gz FJOIQNGXFBIHMF-LBPRGKRZSA-N 0 3 275.352 2.115 20 30 CEEDHN CN(C)C[C@@H]1CCCN1C(=O)CC1(C#N)CCCCC1 ZINC000597092822 346127983 /nfs/dbraw/zinc/12/79/83/346127983.db2.gz SMSAZPJYINYBSX-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CC1(C#N)CCCCC1 ZINC000597378544 346178703 /nfs/dbraw/zinc/17/87/03/346178703.db2.gz QYMKCIPTFFDYEH-UKRRQHHQSA-N 0 3 289.423 2.449 20 30 CEEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H](C)CC#N ZINC000597476632 346191164 /nfs/dbraw/zinc/19/11/64/346191164.db2.gz ADKPUQYXKQMVCH-ZIAGYGMSSA-N 0 3 273.380 2.173 20 30 CEEDHN CN1C[C@@H]2CCCN(C(=O)CC3(C#N)CCCCC3)[C@@H]2C1 ZINC000597799873 346233277 /nfs/dbraw/zinc/23/32/77/346233277.db2.gz YXOPKGAKPWZWFP-LSDHHAIUSA-N 0 3 289.423 2.403 20 30 CEEDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C#N)s1)C2 ZINC000597714277 346220626 /nfs/dbraw/zinc/22/06/26/346220626.db2.gz HWWVYMLWYOOQOS-OAHLLOKOSA-N 0 3 289.404 2.178 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cccc(C#N)c1 ZINC000597857611 346239588 /nfs/dbraw/zinc/23/95/88/346239588.db2.gz GUSIPRMNEDAFLB-AWEZNQCLSA-N 0 3 271.364 2.161 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCCc1ccc(C#N)cc1 ZINC000597894488 346247701 /nfs/dbraw/zinc/24/77/01/346247701.db2.gz XOJNTVIDOOFBLJ-OKILXGFUSA-N 0 3 285.391 2.090 20 30 CEEDHN CCCN(C)CC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000597948648 346256858 /nfs/dbraw/zinc/25/68/58/346256858.db2.gz MAGMFILRHSEDRL-UHFFFAOYSA-N 0 3 273.380 2.251 20 30 CEEDHN CCO[C@H]1C[C@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000598059378 346276639 /nfs/dbraw/zinc/27/66/39/346276639.db2.gz AKXQWWSJLOGTGM-JYJNAYRXSA-N 0 3 286.375 2.443 20 30 CEEDHN C[C@@H](C#N)N(C(=O)[C@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000598135037 346297273 /nfs/dbraw/zinc/29/72/73/346297273.db2.gz NPBJHZAOOHSSTN-HOCLYGCPSA-N 0 3 297.402 2.412 20 30 CEEDHN COc1ccc(-c2cc(CNC(=O)C(C)C#N)on2)cc1 ZINC000598180344 346301761 /nfs/dbraw/zinc/30/17/61/346301761.db2.gz YQAPXOIWZICCNT-SNVBAGLBSA-N 0 3 285.303 2.126 20 30 CEEDHN CCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000598342500 346332047 /nfs/dbraw/zinc/33/20/47/346332047.db2.gz OALLAYLQBFXTMN-YESZJQIVSA-N 0 3 297.402 2.262 20 30 CEEDHN Cc1nccn1CCN(C)Cc1cccc(C#N)c1 ZINC000061948166 362700584 /nfs/dbraw/zinc/70/05/84/362700584.db2.gz COGPRGGDKSWZLC-UHFFFAOYSA-N 0 3 254.337 2.195 20 30 CEEDHN CCn1nccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000598566097 346375055 /nfs/dbraw/zinc/37/50/55/346375055.db2.gz UTUXUPQVCLHDEH-OAHLLOKOSA-N 0 3 296.374 2.292 20 30 CEEDHN CC(C#N)C(=O)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598573673 346376259 /nfs/dbraw/zinc/37/62/59/346376259.db2.gz OPGSNRGWUJYSHL-DGCLKSJQSA-N 0 3 255.321 2.295 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000598575297 346377010 /nfs/dbraw/zinc/37/70/10/346377010.db2.gz IGLBPPRGJJXBBY-MNOVXSKESA-N 0 3 258.321 2.348 20 30 CEEDHN Cc1cnn([C@H]2CCCN(C[C@H](O)CC(C)(C)C#N)C2)c1 ZINC000598590034 346378489 /nfs/dbraw/zinc/37/84/89/346378489.db2.gz WQXDFBYSQUDDAM-LSDHHAIUSA-N 0 3 290.411 2.129 20 30 CEEDHN CN(C)c1cccc(CN(C)C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598596899 346381150 /nfs/dbraw/zinc/38/11/50/346381150.db2.gz BDIGZHCWYAVNBV-INIZCTEOSA-N 0 3 289.423 2.485 20 30 CEEDHN CN(C[C@@H](O)CC(C)(C)C#N)[C@H](CCO)c1ccccc1 ZINC000598596588 346381337 /nfs/dbraw/zinc/38/13/37/346381337.db2.gz SUKCBXJWMJPWSM-JKSUJKDBSA-N 0 3 290.407 2.343 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN(Cc1cccnc1)C1CC1 ZINC000598598994 346381981 /nfs/dbraw/zinc/38/19/81/346381981.db2.gz LPAWMKCNCWAJIC-OAHLLOKOSA-N 0 3 273.380 2.347 20 30 CEEDHN C=CCSCCNCc1cncc(OCC)c1 ZINC000598635527 346389025 /nfs/dbraw/zinc/38/90/25/346389025.db2.gz VKFPYMGAYUXSBL-UHFFFAOYSA-N 0 3 252.383 2.489 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCc1cc(F)ccc1F ZINC000598721337 346407944 /nfs/dbraw/zinc/40/79/44/346407944.db2.gz VFXUFGAMPCVNPU-GFCCVEGCSA-N 0 3 268.307 2.355 20 30 CEEDHN CCCCn1cc(CNC[C@@H](O)CC(C)(C)C#N)c(C)n1 ZINC000598725242 346409298 /nfs/dbraw/zinc/40/92/98/346409298.db2.gz WLNOIWUUEDPSMB-HNNXBMFYSA-N 0 3 292.427 2.382 20 30 CEEDHN COc1cc(F)cc(CNC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598724652 346409412 /nfs/dbraw/zinc/40/94/12/346409412.db2.gz QEPPRVHGCODVFT-ZDUSSCGKSA-N 0 3 280.343 2.225 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NC[C@@H]2Cc3ccccc3CO2)C1 ZINC000599060514 346454523 /nfs/dbraw/zinc/45/45/23/346454523.db2.gz XRKXZCZOHUCVGH-WQVCFCJDSA-N 0 3 256.349 2.410 20 30 CEEDHN Cn1c2cc(CN[C@H]3CCC[C@H](C#N)C3)ccc2oc1=O ZINC000599085165 346457845 /nfs/dbraw/zinc/45/78/45/346457845.db2.gz VXLZNUOJVOBZDE-AAEUAGOBSA-N 0 3 285.347 2.303 20 30 CEEDHN Cc1noc([C@H]2OCC[C@H]2N[C@H](C)c2cccc(C#N)c2)n1 ZINC000599092783 346459160 /nfs/dbraw/zinc/45/91/60/346459160.db2.gz MYGCSRQHSOYBLI-KMUNFCNLSA-N 0 3 298.346 2.431 20 30 CEEDHN COCCCOCCN(C)Cc1ccc(C)c(C#N)c1 ZINC000599344547 346502464 /nfs/dbraw/zinc/50/24/64/346502464.db2.gz FUSYSJDVYYCOOE-UHFFFAOYSA-N 0 3 276.380 2.352 20 30 CEEDHN C=C[C@@H]1CCCCN1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599395161 346513333 /nfs/dbraw/zinc/51/33/33/346513333.db2.gz BDPMTCUYADKCSO-CABCVRRESA-N 0 3 278.396 2.098 20 30 CEEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccsc1 ZINC000599401434 346514047 /nfs/dbraw/zinc/51/40/47/346514047.db2.gz RBMBDSQMXRESGH-OCCSQVGLSA-N 0 3 294.420 2.470 20 30 CEEDHN COCCCN(CCOC)Cc1ccc(C)c(C#N)c1 ZINC000599269330 346488569 /nfs/dbraw/zinc/48/85/69/346488569.db2.gz OMQCQCTULKBJKY-UHFFFAOYSA-N 0 3 276.380 2.352 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H](C2CCC2)CC1 ZINC000602607956 347099365 /nfs/dbraw/zinc/09/93/65/347099365.db2.gz AKHRGGQGPWUILI-LSDHHAIUSA-N 0 3 277.412 2.436 20 30 CEEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cnc(C(=O)OC)cn1 ZINC000599470614 346525824 /nfs/dbraw/zinc/52/58/24/346525824.db2.gz UKVZLGAPUZDLPI-JSGCOSHPSA-N 0 3 289.379 2.488 20 30 CEEDHN CCC(C#N)(CC)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000600092052 346596209 /nfs/dbraw/zinc/59/62/09/346596209.db2.gz CTKCMFIHNKSVIW-GFCCVEGCSA-N 0 3 265.401 2.305 20 30 CEEDHN Cn1cc(CN2C[C@@H]3C[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000600190090 346619353 /nfs/dbraw/zinc/61/93/53/346619353.db2.gz GLSRWTYHRQYGHE-GASCZTMLSA-N 0 3 278.359 2.410 20 30 CEEDHN Cc1ccc(CN2CCNC[C@@H]2c2cccnc2)cc1C#N ZINC000600708533 346675187 /nfs/dbraw/zinc/67/51/87/346675187.db2.gz DDTVKFKPDOBIOC-GOSISDBHSA-N 0 3 292.386 2.408 20 30 CEEDHN Cc1ccc2c(c1)[C@H](NC[C@H](O)CC1(C#N)CC1)CO2 ZINC000600728667 346679376 /nfs/dbraw/zinc/67/93/76/346679376.db2.gz ASCQDXGEHSTUON-TZMCWYRMSA-N 0 3 272.348 2.073 20 30 CEEDHN CCSc1cc(CNC[C@@H](O)CC2(C#N)CC2)ccn1 ZINC000600732715 346680440 /nfs/dbraw/zinc/68/04/40/346680440.db2.gz DMUQDOKBUKJUJY-ZDUSSCGKSA-N 0 3 291.420 2.338 20 30 CEEDHN CC(C)[C@H](C(=O)N1CCc2c(CC#N)cccc2C1)N(C)C ZINC000600779568 346689124 /nfs/dbraw/zinc/68/91/24/346689124.db2.gz CHZJQUXKZVCTSA-QGZVFWFLSA-N 0 3 299.418 2.224 20 30 CEEDHN COc1ccc(-c2nc3c(s2)CNCC3)c(C#N)c1 ZINC000600791551 346691339 /nfs/dbraw/zinc/69/13/39/346691339.db2.gz RPVFXDPEBHXRHJ-UHFFFAOYSA-N 0 3 271.345 2.336 20 30 CEEDHN N#Cc1cccc(C2(NCc3ccc(=O)[nH]c3)CC2)c1 ZINC000601114236 346757181 /nfs/dbraw/zinc/75/71/81/346757181.db2.gz NHUNACAGKYGSOD-UHFFFAOYSA-N 0 3 265.316 2.438 20 30 CEEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(=O)[nH]c1 ZINC000601118185 346757922 /nfs/dbraw/zinc/75/79/22/346757922.db2.gz JLMNHUQZNPSGOZ-HNNXBMFYSA-N 0 3 265.316 2.436 20 30 CEEDHN C[C@@](CO)(Cc1ccc(F)cc1)NCc1ccc(C#N)o1 ZINC000601152799 346771562 /nfs/dbraw/zinc/77/15/62/346771562.db2.gz GAVCWXNEJJQZAD-INIZCTEOSA-N 0 3 288.322 2.374 20 30 CEEDHN C#CCN1CCC(C(=O)NCCc2c(C)cccc2C)CC1 ZINC000129428466 365857295 /nfs/dbraw/zinc/85/72/95/365857295.db2.gz PRGAISVXZWRJEL-UHFFFAOYSA-N 0 3 298.430 2.307 20 30 CEEDHN CC[C@H]1CN(C)CCCN1c1cc(C#N)nc(C2CC2)n1 ZINC000601189416 346781586 /nfs/dbraw/zinc/78/15/86/346781586.db2.gz RHPWUFSPUKPLBZ-AWEZNQCLSA-N 0 3 285.395 2.146 20 30 CEEDHN C[C@H](CCC#N)CN1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000602641870 347119009 /nfs/dbraw/zinc/11/90/09/347119009.db2.gz GCWLAMJALNZPSK-ILXRZTDVSA-N 0 3 266.385 2.196 20 30 CEEDHN CC(C)(CNCc1cccc(C#N)n1)c1ccccn1 ZINC000602673110 347135562 /nfs/dbraw/zinc/13/55/62/347135562.db2.gz IJVOOAJUEVISNI-UHFFFAOYSA-N 0 3 266.348 2.416 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NCc1cccc(C#N)n1 ZINC000602718219 347168503 /nfs/dbraw/zinc/16/85/03/347168503.db2.gz RCMOTYDKDYWBPQ-CQSZACIVSA-N 0 3 272.396 2.163 20 30 CEEDHN N#CC[C@@H]1CC[C@H](NCc2cc3c(cn2)OCCO3)C1 ZINC000602679011 347139731 /nfs/dbraw/zinc/13/97/31/347139731.db2.gz IEJAXITUZBUWSL-RYUDHWBXSA-N 0 3 273.336 2.025 20 30 CEEDHN CCOC(=O)c1cc(CN[C@H]2CC[C@@H](CC#N)C2)on1 ZINC000602678506 347139835 /nfs/dbraw/zinc/13/98/35/347139835.db2.gz DHTJQGNHHOYYGS-QWRGUYRKSA-N 0 3 277.324 2.023 20 30 CEEDHN N#Cc1cccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)n1 ZINC000602679607 347141201 /nfs/dbraw/zinc/14/12/01/347141201.db2.gz MHNNMXWGASXIEL-GVDBMIGSSA-N 0 3 285.391 2.469 20 30 CEEDHN C[C@H](C[C@@H]1CCCC(=O)N1)NCC1(C#N)CCCC1 ZINC000602697526 347153834 /nfs/dbraw/zinc/15/38/34/347153834.db2.gz AEKIHZXRTAJBQX-OLZOCXBDSA-N 0 3 263.385 2.107 20 30 CEEDHN C[C@@H](C[C@H]1CCCC(=O)N1)NCC1(C#N)CCCCC1 ZINC000602719349 347169340 /nfs/dbraw/zinc/16/93/40/347169340.db2.gz PCDGFOGXZHXQGW-UONOGXRCSA-N 0 3 277.412 2.497 20 30 CEEDHN CC[C@@H](NCc1cccc(C#N)n1)[C@H]1CCCCO1 ZINC000602706119 347161356 /nfs/dbraw/zinc/16/13/56/347161356.db2.gz AUXJKPNAGUIWQZ-HUUCEWRRSA-N 0 3 259.353 2.391 20 30 CEEDHN N#Cc1cccc(CNC[C@@H]2CCN2C2CCCCC2)n1 ZINC000602721197 347169760 /nfs/dbraw/zinc/16/97/60/347169760.db2.gz PPNYANVMZIWYBI-KRWDZBQOSA-N 0 3 284.407 2.450 20 30 CEEDHN C[C@@H](CCC#N)CN1CCc2c(cccc2C(N)=O)C1 ZINC000602716305 347167629 /nfs/dbraw/zinc/16/76/29/347167629.db2.gz FFHJDKJUKFAJQG-LBPRGKRZSA-N 0 3 271.364 2.083 20 30 CEEDHN N#Cc1cccc(CN2CCCCC[C@H]2CCO)n1 ZINC000602652965 347124683 /nfs/dbraw/zinc/12/46/83/347124683.db2.gz LLTVXNXWHJOMAK-HNNXBMFYSA-N 0 3 259.353 2.080 20 30 CEEDHN COCCN(Cc1ccccn1)C[C@H](C)CCC#N ZINC000602655974 347126878 /nfs/dbraw/zinc/12/68/78/347126878.db2.gz JNLGUTLYJNLDLB-CQSZACIVSA-N 0 3 261.369 2.470 20 30 CEEDHN C[C@H](CCC#N)CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000602660553 347128536 /nfs/dbraw/zinc/12/85/36/347128536.db2.gz FOBWHWREDNAUEC-GRYCIOLGSA-N 0 3 278.318 2.419 20 30 CEEDHN C[C@@H](CCC#N)CN1CCN(c2ccc(F)cn2)CC1 ZINC000602661590 347129542 /nfs/dbraw/zinc/12/95/42/347129542.db2.gz FSCOIYRAGITHCQ-ZDUSSCGKSA-N 0 3 276.359 2.283 20 30 CEEDHN C[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)C[C@@H](C)N1CC#N ZINC000602848966 347223510 /nfs/dbraw/zinc/22/35/10/347223510.db2.gz IXTUQFIXBKFXNK-JHJVBQTASA-N 0 3 271.355 2.340 20 30 CEEDHN Cc1ccccc1CN1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602858026 347226808 /nfs/dbraw/zinc/22/68/08/347226808.db2.gz XSBGXDRBVVFUGJ-HUUCEWRRSA-N 0 3 257.381 2.413 20 30 CEEDHN CN(C)C[C@@H]1COC2(CCCC2)CN1CCCCC#N ZINC000602912783 347245281 /nfs/dbraw/zinc/24/52/81/347245281.db2.gz JQDAOTALENURLM-OAHLLOKOSA-N 0 3 279.428 2.255 20 30 CEEDHN N#Cc1cc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)ccn1 ZINC000603133862 347294374 /nfs/dbraw/zinc/29/43/74/347294374.db2.gz ZWKKCYWFFSYXGA-OAHLLOKOSA-N 0 3 299.378 2.045 20 30 CEEDHN CO[C@@H]1CN(CCC2(C#N)CCCCC2)[C@](C)(CO)C1 ZINC000602961811 347257744 /nfs/dbraw/zinc/25/77/44/347257744.db2.gz DLLQUHJDUPVGQT-GJZGRUSLSA-N 0 3 280.412 2.322 20 30 CEEDHN COC[C@@]1(C(=O)OC(C)(C)C)CCN([C@@H](C)CCC#N)C1 ZINC000602962966 347258534 /nfs/dbraw/zinc/25/85/34/347258534.db2.gz YDNFDVVBGXJVMU-XJKSGUPXSA-N 0 3 296.411 2.359 20 30 CEEDHN CCC[C@H](N)c1cn(Cc2ccc(F)c(C#N)c2)nn1 ZINC000603202881 347307816 /nfs/dbraw/zinc/30/78/16/347307816.db2.gz ZFCYJVNMGDQXAG-ZDUSSCGKSA-N 0 3 273.315 2.137 20 30 CEEDHN CCC[C@H](N)c1cn(Cc2ccc(C#N)c(C)c2)nn1 ZINC000603233849 347317859 /nfs/dbraw/zinc/31/78/59/347317859.db2.gz DCNIAOBFZGZQTH-AWEZNQCLSA-N 0 3 269.352 2.306 20 30 CEEDHN C[C@@H](O)CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000336826433 365886901 /nfs/dbraw/zinc/88/69/01/365886901.db2.gz ONQPGQBYHMJBJL-CYBMUJFWSA-N 0 3 274.364 2.172 20 30 CEEDHN CC(C#N)C(=O)NCc1ccccc1N1CCCC1 ZINC000609620082 347646978 /nfs/dbraw/zinc/64/69/78/347646978.db2.gz UAOINCIPPVEZDS-GFCCVEGCSA-N 0 3 257.337 2.063 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C#N)cc1F ZINC000610426206 347680684 /nfs/dbraw/zinc/68/06/84/347680684.db2.gz HYCSTPSSPKAVFH-TXEJJXNPSA-N 0 3 289.354 2.186 20 30 CEEDHN CC(C#N)C(=O)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610605829 347696297 /nfs/dbraw/zinc/69/62/97/347696297.db2.gz WUPJKQHZCQXCPK-QYNIQEEDSA-N 0 3 288.191 2.345 20 30 CEEDHN C[C@@H](NCc1ccn(C)c(=O)c1)c1ccc(C#N)cc1 ZINC000611382015 347771240 /nfs/dbraw/zinc/77/12/40/347771240.db2.gz AVFDYXQYIVQOSA-GFCCVEGCSA-N 0 3 267.332 2.108 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000611394664 347773361 /nfs/dbraw/zinc/77/33/61/347773361.db2.gz VSPWWHOXQQQQHU-RHSMWYFYSA-N 0 3 295.386 2.289 20 30 CEEDHN CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1ccccc1C#N ZINC000611120925 347741704 /nfs/dbraw/zinc/74/17/04/347741704.db2.gz JBQCEFPJUJDXFI-YOEHRIQHSA-N 0 3 285.391 2.295 20 30 CEEDHN CN(CCOc1ccccc1C#N)CC1=CCCOC1 ZINC000611271224 347760583 /nfs/dbraw/zinc/76/05/83/347760583.db2.gz HPFPIOXVTMJQAA-UHFFFAOYSA-N 0 3 272.348 2.216 20 30 CEEDHN C[C@]1(NCc2ccnc(C#N)c2)CCO[C@H]1C1CC1 ZINC000612187552 347854554 /nfs/dbraw/zinc/85/45/54/347854554.db2.gz ZMFZEINJNYOFTP-GJZGRUSLSA-N 0 3 257.337 2.000 20 30 CEEDHN N#C[C@@H](c1ccccc1)N1CCN(C[C@H]2CCCOC2)CC1 ZINC000336854470 365928163 /nfs/dbraw/zinc/92/81/63/365928163.db2.gz DZPRVMVPUPSTAE-AEFFLSMTSA-N 0 3 299.418 2.295 20 30 CEEDHN CCOc1ccc2c(c1)[C@H](NC(=O)C(C)C#N)CCO2 ZINC000614101585 348144810 /nfs/dbraw/zinc/14/48/10/348144810.db2.gz TVRAGYSONVZUET-ZWNOBZJWSA-N 0 3 274.320 2.185 20 30 CEEDHN CCOc1ccc2c(c1)[C@@H](NC(=O)C(C)C#N)CCO2 ZINC000614101580 348144862 /nfs/dbraw/zinc/14/48/62/348144862.db2.gz TVRAGYSONVZUET-GWCFXTLKSA-N 0 3 274.320 2.185 20 30 CEEDHN CCOC(=O)C[C@@](C)(NCc1ccnc(C#N)c1)C(C)C ZINC000614230244 348164093 /nfs/dbraw/zinc/16/40/93/348164093.db2.gz OTKROKZFBHCCGG-MRXNPFEDSA-N 0 3 289.379 2.411 20 30 CEEDHN CS[C@@H]1CN(Cc2ccc(C#N)cc2C)C[C@H]1N(C)C ZINC000614403349 348194834 /nfs/dbraw/zinc/19/48/34/348194834.db2.gz SSQFNWQCGVPIDR-HZPDHXFCSA-N 0 3 289.448 2.344 20 30 CEEDHN C=CCCC1(CNC(=O)C(C)S(C)(=O)=O)CCCC1 ZINC000617416227 348701728 /nfs/dbraw/zinc/70/17/28/348701728.db2.gz GSORCICDJZBXFI-GFCCVEGCSA-N 0 3 287.425 2.062 20 30 CEEDHN CC1(C)[C@H](NCc2ccccc2C#N)[C@@H]2CCO[C@H]21 ZINC000339504155 215214883 /nfs/dbraw/zinc/21/48/83/215214883.db2.gz DDNLBXDJQPKYMG-RRFJBIMHSA-N 0 3 256.349 2.461 20 30 CEEDHN C=CCN(C(=O)[C@@H](C)N1CCCCCC1)[C@H](C)COC ZINC000617578893 348742356 /nfs/dbraw/zinc/74/23/56/348742356.db2.gz SPJXHPCAFLERNB-HUUCEWRRSA-N 0 3 282.428 2.300 20 30 CEEDHN CN(Cc1ccccc1)[C@@H]1CCN(c2cc(C#N)ncn2)C1 ZINC000617956954 348838416 /nfs/dbraw/zinc/83/84/16/348838416.db2.gz XOFBDCLIBJSEEU-MRXNPFEDSA-N 0 3 293.374 2.059 20 30 CEEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)C[C@@H](C)C1=O ZINC000618098569 348875090 /nfs/dbraw/zinc/87/50/90/348875090.db2.gz ODFHHQFHEQALKE-IIAWOOMASA-N 0 3 298.386 2.442 20 30 CEEDHN C[C@H]1C[C@H]1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000357724456 233132075 /nfs/dbraw/zinc/13/20/75/233132075.db2.gz AHPZYMDLOPTYPM-YOEHRIQHSA-N 0 3 299.418 2.495 20 30 CEEDHN C=CCOCCCC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000618989031 349088100 /nfs/dbraw/zinc/08/81/00/349088100.db2.gz JOGRTSMTYCSGGK-HNNXBMFYSA-N 0 3 282.428 2.206 20 30 CEEDHN C[C@H](CCC#N)CN1CCS[C@H]2COCC[C@H]21 ZINC000618888439 349060617 /nfs/dbraw/zinc/06/06/17/349060617.db2.gz SZEOSCFOOAWCLD-UPJWGTAASA-N 0 3 254.399 2.133 20 30 CEEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)CN1C1CC1 ZINC000404674751 233194338 /nfs/dbraw/zinc/19/43/38/233194338.db2.gz FSQCJKDBSBOUEC-SMDDNHRTSA-N 0 3 273.355 2.412 20 30 CEEDHN COC(=O)C[C@@H]1CC[C@H](NCC(C)(C)C#N)[C@H]1C ZINC000619428859 349178756 /nfs/dbraw/zinc/17/87/56/349178756.db2.gz GARMSPODFUYMSB-SRVKXCTJSA-N 0 3 252.358 2.104 20 30 CEEDHN CN1CCC[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000619434956 349180327 /nfs/dbraw/zinc/18/03/27/349180327.db2.gz ULSGKAPSKONBQL-HOTGVXAUSA-N 0 3 285.391 2.284 20 30 CEEDHN C[S@](=O)C1(CN[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000619674048 349216008 /nfs/dbraw/zinc/21/60/08/349216008.db2.gz VXHQLRNJFVOJAF-YWZLYKJASA-N 0 3 288.416 2.436 20 30 CEEDHN C=C(C)[C@H](CO)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000619785414 349237075 /nfs/dbraw/zinc/23/70/75/349237075.db2.gz MPGIMYMRKXNKBL-AWEZNQCLSA-N 0 3 264.325 2.006 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000619544291 349196207 /nfs/dbraw/zinc/19/62/07/349196207.db2.gz DKMCVKARBKFMFH-UONOGXRCSA-N 0 3 296.374 2.435 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C1CC1 ZINC000620303978 349338516 /nfs/dbraw/zinc/33/85/16/349338516.db2.gz LPSJBWUQQCFRAF-ZNMIVQPWSA-N 0 3 260.381 2.323 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000623462386 350026204 /nfs/dbraw/zinc/02/62/04/350026204.db2.gz IPANCWRUGWTABA-CABCVRRESA-N 0 3 279.428 2.326 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000623748700 350100762 /nfs/dbraw/zinc/10/07/62/350100762.db2.gz DIXICTHVPFXZEQ-TZMCWYRMSA-N 0 3 279.428 2.371 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000623727353 350093882 /nfs/dbraw/zinc/09/38/82/350093882.db2.gz VOUVWZAVWHYDCE-STQMWFEESA-N 0 3 267.417 2.371 20 30 CEEDHN C=CCC[C@H](NC[C@H](O)[C@H]1CCCO1)c1ccco1 ZINC000624089970 350190088 /nfs/dbraw/zinc/19/00/88/350190088.db2.gz DCCWVQJUDXDFFL-KCQAQPDRSA-N 0 3 265.353 2.416 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1 ZINC000624336461 350264601 /nfs/dbraw/zinc/26/46/01/350264601.db2.gz RPWIVWOFQGANQJ-ZIAGYGMSSA-N 0 3 279.428 2.467 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Cc2cccc(O)c2)CC1 ZINC000106290612 186106616 /nfs/dbraw/zinc/10/66/16/186106616.db2.gz VRMXYDUKGITCHG-UHFFFAOYSA-N 0 3 288.391 2.091 20 30 CEEDHN CC(C)[C@H](C(=O)N(C)Cc1cccc(C#N)c1)N(C)C ZINC000106408976 186113905 /nfs/dbraw/zinc/11/39/05/186113905.db2.gz NAFNFUXZDYSQJY-OAHLLOKOSA-N 0 3 273.380 2.103 20 30 CEEDHN C=C(C)CN(CCc1cn(C)nn1)Cc1ccccc1 ZINC000625380649 350485437 /nfs/dbraw/zinc/48/54/37/350485437.db2.gz KERZTNFFRBDYMO-UHFFFAOYSA-N 0 3 270.380 2.436 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000625974289 350617921 /nfs/dbraw/zinc/61/79/21/350617921.db2.gz VTZNPUXAJZFVES-QTVXIADOSA-N 0 3 282.428 2.201 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000110250426 186288773 /nfs/dbraw/zinc/28/87/73/186288773.db2.gz 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365250613 /nfs/dbraw/zinc/25/06/13/365250613.db2.gz LVSVYJWEKLNCPG-KBPBESRZSA-N 0 3 284.403 2.354 20 30 CEEDHN CCN1CCC(N(C)C(=O)c2ccc(C#N)cc2C)CC1 ZINC000119446295 365275143 /nfs/dbraw/zinc/27/51/43/365275143.db2.gz JLMZPELKWRIICA-UHFFFAOYSA-N 0 3 285.391 2.423 20 30 CEEDHN CCc1cccc2c1OCC[C@H]2NC(=O)C(C)C#N ZINC000336001170 365274221 /nfs/dbraw/zinc/27/42/21/365274221.db2.gz SYZCKYZBHJQDIC-ZWNOBZJWSA-N 0 3 258.321 2.348 20 30 CEEDHN CN(Cc1cc(C#N)cs1)C[C@H]1CCCOC1 ZINC000119808674 365328510 /nfs/dbraw/zinc/32/85/10/365328510.db2.gz NYAWZLLSHDANNT-LLVKDONJSA-N 0 3 250.367 2.478 20 30 CEEDHN C=C(Cl)COc1ccc([C@H](C)NCCOCCO)cc1 ZINC000159188479 366886615 /nfs/dbraw/zinc/88/66/15/366886615.db2.gz SJNZKLQISCVLTD-ZDUSSCGKSA-N 0 3 299.798 2.477 20 30 CEEDHN OCCN(CC#Cc1ccc(Cl)cc1)C1CCOCC1 ZINC000275659417 193097498 /nfs/dbraw/zinc/09/74/98/193097498.db2.gz XZVNFTRRWHQTFF-UHFFFAOYSA-N 0 3 293.794 2.165 20 30 CEEDHN N#CCSCCCN1CCC(N2CCCCC2=O)CC1 ZINC000120334997 365409457 /nfs/dbraw/zinc/40/94/57/365409457.db2.gz MMBXQJSORDRTRD-UHFFFAOYSA-N 0 3 295.452 2.110 20 30 CEEDHN C[C@H](N[C@H]1CNCCC1(F)F)c1ccc(C#N)cc1F ZINC000335567919 212276648 /nfs/dbraw/zinc/27/66/48/212276648.db2.gz IIFIJIKBQSZZHH-ZANVPECISA-N 0 3 283.297 2.345 20 30 CEEDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(F)c(C#N)c1 ZINC000336126062 365445871 /nfs/dbraw/zinc/44/58/71/365445871.db2.gz SFEJOEPQIHUDKU-NWDGAFQWSA-N 0 3 261.344 2.222 20 30 CEEDHN CC[C@H](Cn1cncn1)N[C@H](C)c1ccc(C#N)cc1 ZINC000340462380 366892174 /nfs/dbraw/zinc/89/21/74/366892174.db2.gz MMGMWQSVWOZUTI-IUODEOHRSA-N 0 3 269.352 2.279 20 30 CEEDHN C#CCOc1ccc(CNCCOCCC=C)cc1 ZINC000120869048 365487067 /nfs/dbraw/zinc/48/70/67/365487067.db2.gz VRWCPMIIWNNUCV-UHFFFAOYSA-N 0 3 259.349 2.381 20 30 CEEDHN CCCN(CCN(C)C)C(=O)c1cscc1C#N ZINC000340615159 366958526 /nfs/dbraw/zinc/95/85/26/366958526.db2.gz FDWPFVQEELGAQT-UHFFFAOYSA-N 0 3 265.382 2.034 20 30 CEEDHN C=CCCCCCNC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000583573471 367068769 /nfs/dbraw/zinc/06/87/69/367068769.db2.gz WJNWZAVLHRFOOT-LSDHHAIUSA-N 0 3 279.428 2.468 20 30 CEEDHN CCN(C[C@H]1CCCN1CC)C(=O)Cc1cccc(C#N)c1 ZINC000583890971 367111996 /nfs/dbraw/zinc/11/19/96/367111996.db2.gz RVVSZXYIBFHHJC-QGZVFWFLSA-N 0 3 299.418 2.434 20 30 CEEDHN C=CCN(CC#CC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000357713836 370826670 /nfs/dbraw/zinc/82/66/70/370826670.db2.gz UGKWFJHELOMVKU-AWEZNQCLSA-N 0 3 281.363 2.235 20 30 CEEDHN C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000357803914 370829248 /nfs/dbraw/zinc/82/92/48/370829248.db2.gz WZDPGISIQIGNEF-GOEBONIOSA-N 0 3 285.391 2.317 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cc(-c2ccccc2)n[nH]1 ZINC000341296356 367274967 /nfs/dbraw/zinc/27/49/67/367274967.db2.gz JKEUOWSTLUYHCX-CYBMUJFWSA-N 0 3 271.364 2.351 20 30 CEEDHN C=CCOc1cccnc1C(=O)N(CCC)CCN(C)C ZINC000341419175 367331865 /nfs/dbraw/zinc/33/18/65/367331865.db2.gz NUMFUGYHURPIPT-UHFFFAOYSA-N 0 3 291.395 2.060 20 30 CEEDHN Cc1cc(C#N)cc(NC[C@H](Cc2ccccc2)N(C)C)n1 ZINC000341354203 367300214 /nfs/dbraw/zinc/30/02/14/367300214.db2.gz XBAQNNMDVHFNNK-KRWDZBQOSA-N 0 3 294.402 2.268 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000342344792 367401174 /nfs/dbraw/zinc/40/11/74/367401174.db2.gz JJJJQESGPZOICG-OCCSQVGLSA-N 0 3 265.401 2.077 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000342367045 367402611 /nfs/dbraw/zinc/40/26/11/367402611.db2.gz YHMGRWPBUOWAHA-INIZCTEOSA-N 0 3 289.423 2.377 20 30 CEEDHN C=CC[C@@H](C)N[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000342430837 367408483 /nfs/dbraw/zinc/40/84/83/367408483.db2.gz CSBKMYMWKPQODI-YPMHNXCESA-N 0 3 279.384 2.456 20 30 CEEDHN C=CCN1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000170917780 367448686 /nfs/dbraw/zinc/44/86/86/367448686.db2.gz XYGZOZCYKDMQNB-LBPRGKRZSA-N 0 3 254.374 2.361 20 30 CEEDHN N#Cc1ccc2ncc(CN3CCCCC[C@H]3CCO)n2c1 ZINC000342820311 367556153 /nfs/dbraw/zinc/55/61/53/367556153.db2.gz GSTPZJMFIOODRV-HNNXBMFYSA-N 0 3 298.390 2.333 20 30 CEEDHN CC#CCCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000681538725 541564606 /nfs/dbraw/zinc/56/46/06/541564606.db2.gz QKJPMEZWABNLNY-KRWDZBQOSA-N 0 3 299.418 2.316 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2cccc(C#N)c2)CC1 ZINC000171680203 367592099 /nfs/dbraw/zinc/59/20/99/367592099.db2.gz TXLKGCWKYRNKFA-UHFFFAOYSA-N 0 3 284.363 2.330 20 30 CEEDHN CC(C)C[C@H]1CCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000572524440 299375888 /nfs/dbraw/zinc/37/58/88/299375888.db2.gz PBRSOXSEGKFNJH-CYBMUJFWSA-N 0 3 283.379 2.469 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CCCN1C ZINC000343438041 367814281 /nfs/dbraw/zinc/81/42/81/367814281.db2.gz LVAUIQIMPGUNHV-BBRMVZONSA-N 0 3 297.402 2.454 20 30 CEEDHN Cc1ccnc(N(C)[C@@H]2CCN(C)C[C@@H]2C)c1C#N ZINC000343507291 367850827 /nfs/dbraw/zinc/85/08/27/367850827.db2.gz HYEOHAFHVYITNK-GXTWGEPZSA-N 0 3 258.369 2.038 20 30 CEEDHN C=CCOCCCC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000173061946 367866065 /nfs/dbraw/zinc/86/60/65/367866065.db2.gz PEWNCRXOFRKJGZ-MRXNPFEDSA-N 0 3 290.407 2.388 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H]2C(C)C)CC1 ZINC000343696290 367960106 /nfs/dbraw/zinc/96/01/06/367960106.db2.gz QSGOYMLRGKAHNS-OAHLLOKOSA-N 0 3 279.428 2.467 20 30 CEEDHN N#Cc1ccc(CNCCc2ccc3c(c2)CCO3)o1 ZINC000174394959 368017675 /nfs/dbraw/zinc/01/76/75/368017675.db2.gz MHILCPVYWRFOFA-UHFFFAOYSA-N 0 3 268.316 2.418 20 30 CEEDHN C=CCC[C@@H](O)CN(C)CCOCc1ccc(C#N)cc1 ZINC000344119663 368108157 /nfs/dbraw/zinc/10/81/57/368108157.db2.gz PMMCHFQCYKEHGE-QGZVFWFLSA-N 0 3 288.391 2.334 20 30 CEEDHN COCc1ccc([C@@H]2CCCN2C(=O)C(C)C#N)o1 ZINC000345180670 368182766 /nfs/dbraw/zinc/18/27/66/368182766.db2.gz SCNTUHMFUWJBDD-PWSUYJOCSA-N 0 3 262.309 2.249 20 30 CEEDHN C=CCCOCC(=O)Nc1ccc(CN(C)C)cc1OC ZINC000633373622 368219237 /nfs/dbraw/zinc/21/92/37/368219237.db2.gz WCGHQVWTOMDWKL-UHFFFAOYSA-N 0 3 292.379 2.288 20 30 CEEDHN N#Cc1ccc(CN2CCC(NCc3cc[nH]n3)CC2)cc1 ZINC000181719594 368486268 /nfs/dbraw/zinc/48/62/68/368486268.db2.gz WAIXOGGXUPZZNU-UHFFFAOYSA-N 0 3 295.390 2.036 20 30 CEEDHN C=CCCCN[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000181789315 368495145 /nfs/dbraw/zinc/49/51/45/368495145.db2.gz YXSFYCCXHMRBLL-CQSZACIVSA-N 0 3 267.394 2.328 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2ccccc2C#N)C[C@H]1C ZINC000346169509 368574811 /nfs/dbraw/zinc/57/48/11/368574811.db2.gz QRIQBPZSUODCJN-ZIAGYGMSSA-N 0 3 257.381 2.473 20 30 CEEDHN CCN1C[C@H](C)N(Cc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC000346154211 368565199 /nfs/dbraw/zinc/56/51/99/368565199.db2.gz DCYYKRPYOUHMJB-KGLIPLIRSA-N 0 3 287.407 2.481 20 30 CEEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC1CC1 ZINC000346278074 368618225 /nfs/dbraw/zinc/61/82/25/368618225.db2.gz OKBLVYZWVHYQSB-UHFFFAOYSA-N 0 3 285.391 2.249 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000346329497 368639190 /nfs/dbraw/zinc/63/91/90/368639190.db2.gz RROAAWBXWODLRG-KRWDZBQOSA-N 0 3 283.375 2.035 20 30 CEEDHN C[C@@H](NC(=O)C(C#N)c1nc2ccccc2n1C)C1CC1 ZINC000358098250 370905502 /nfs/dbraw/zinc/90/55/02/370905502.db2.gz SAXJVOWCKGYNKB-ZYHUDNBSSA-N 0 3 282.347 2.095 20 30 CEEDHN CNC(=O)C(C)(C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000346651387 368752965 /nfs/dbraw/zinc/75/29/65/368752965.db2.gz SJXPCWHWRBUXOX-SNVBAGLBSA-N 0 3 277.343 2.120 20 30 CEEDHN C[C@H](C#N)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000347897850 368822536 /nfs/dbraw/zinc/82/25/36/368822536.db2.gz KBUSNSOSCOOPPR-ZBFHGGJFSA-N 0 3 285.391 2.269 20 30 CEEDHN C=CCOCCCN1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000348035445 368866935 /nfs/dbraw/zinc/86/69/35/368866935.db2.gz OLLPCHCTXVJWIM-AWEZNQCLSA-N 0 3 282.428 2.206 20 30 CEEDHN Clc1ccc(C#CCN2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000634779353 368881642 /nfs/dbraw/zinc/88/16/42/368881642.db2.gz MWCYETMKCJJYFB-OKILXGFUSA-N 0 3 261.752 2.270 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H]1CCC[C@H]1CCO ZINC000348159321 368926498 /nfs/dbraw/zinc/92/64/98/368926498.db2.gz MSJDPPFGEFKLOL-DZGCQCFKSA-N 0 3 274.364 2.208 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@](C)(O)CC1 ZINC000348359854 369016256 /nfs/dbraw/zinc/01/62/56/369016256.db2.gz CKFCDPXMSKDXMT-ZBFHGGJFSA-N 0 3 282.428 2.036 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1sc(CCOC)nc1C ZINC000186687215 369019086 /nfs/dbraw/zinc/01/90/86/369019086.db2.gz GXVMGYPQBNBDJY-ZYHUDNBSSA-N 0 3 284.425 2.228 20 30 CEEDHN CCN(CCC#N)C(=O)CNC(C)(C)c1cccs1 ZINC000348364466 369020102 /nfs/dbraw/zinc/02/01/02/369020102.db2.gz YGUVMJUJLCASFA-UHFFFAOYSA-N 0 3 279.409 2.335 20 30 CEEDHN CCS[C@@H]1CCC[C@@H]1NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000348480977 369059792 /nfs/dbraw/zinc/05/97/92/369059792.db2.gz SJCRWXXMWGINDA-GZBFAFLISA-N 0 3 295.452 2.059 20 30 CEEDHN C[C@@H]1C[C@@H](C)CN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000330714239 203144218 /nfs/dbraw/zinc/14/42/18/203144218.db2.gz ZRLDCNFVAQBTAS-ZIAGYGMSSA-N 0 3 285.391 2.152 20 30 CEEDHN COCCOc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000349800870 369404475 /nfs/dbraw/zinc/40/44/75/369404475.db2.gz KTRLIWFAILSSIQ-UKRRQHHQSA-N 0 3 274.364 2.494 20 30 CEEDHN CC1(C)CC[C@H](N[C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000350146674 369516699 /nfs/dbraw/zinc/51/66/99/369516699.db2.gz LZCBGKKSJRRWLY-KBPBESRZSA-N 0 3 271.364 2.253 20 30 CEEDHN CCOC(CCNCc1ccc(C#N)o1)OCC ZINC000276210900 193244682 /nfs/dbraw/zinc/24/46/82/193244682.db2.gz LBCBFLRCDZZIPW-UHFFFAOYSA-N 0 3 252.314 2.030 20 30 CEEDHN C=CCC1(NC(=O)CN(C)CC(C)(C)C)CCOCC1 ZINC000636181928 369547553 /nfs/dbraw/zinc/54/75/53/369547553.db2.gz IHYGMNXTTIWTFF-UHFFFAOYSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCC1(C(=O)NCCN(CC)C2CC2)CCC1 ZINC000191194086 369689727 /nfs/dbraw/zinc/68/97/27/369689727.db2.gz XGKPIQWYDGMHFG-UHFFFAOYSA-N 0 3 250.386 2.333 20 30 CEEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccnn1C ZINC000193008385 369882841 /nfs/dbraw/zinc/88/28/41/369882841.db2.gz QSDXPLHPLIWKHP-LBPRGKRZSA-N 0 3 270.336 2.021 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000637322201 369900264 /nfs/dbraw/zinc/90/02/64/369900264.db2.gz SQZJAKDKNOACRH-UONOGXRCSA-N 0 3 279.428 2.324 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCn1cccn1 ZINC000194972661 370091631 /nfs/dbraw/zinc/09/16/31/370091631.db2.gz OAQVNSNYXWHNCS-ZDUSSCGKSA-N 0 3 254.337 2.448 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)NCC(C)(C)CCC#N ZINC000353722352 370123829 /nfs/dbraw/zinc/12/38/29/370123829.db2.gz GGYQFKDGDAAIPG-ZDUSSCGKSA-N 0 3 280.416 2.100 20 30 CEEDHN CCOCC(C)(C)NCc1cnc2ccc(C#N)cn12 ZINC000354120149 370223698 /nfs/dbraw/zinc/22/36/98/370223698.db2.gz KYKZUGXLIYGZLM-UHFFFAOYSA-N 0 3 272.352 2.111 20 30 CEEDHN C[C@@H](NCCSCCCO)c1ccc(C#N)cc1 ZINC000224629849 370280911 /nfs/dbraw/zinc/28/09/11/370280911.db2.gz BFPJKRUBQRTNQH-GFCCVEGCSA-N 0 3 264.394 2.324 20 30 CEEDHN CN1CCC[C@@H]1CNc1nc(Cl)c(C#N)s1 ZINC000226095593 370329401 /nfs/dbraw/zinc/32/94/01/370329401.db2.gz ZUQFTTGNXKTMRB-SSDOTTSWSA-N 0 3 256.762 2.174 20 30 CEEDHN C[C@]1(O)CCCN(CCOc2cccc(C#N)c2)CC1 ZINC000230352399 370453581 /nfs/dbraw/zinc/45/35/81/370453581.db2.gz IBBXORVDKXFXPM-INIZCTEOSA-N 0 3 274.364 2.174 20 30 CEEDHN CN(CC#Cc1ccc(F)cc1)C1(CCO)CCOCC1 ZINC000355002920 370499443 /nfs/dbraw/zinc/49/94/43/370499443.db2.gz BMBRFYPHTIEKLF-UHFFFAOYSA-N 0 3 291.366 2.041 20 30 CEEDHN COc1cc(CN(C)C[C@@H]2CCCOC2)ccc1C#N ZINC000234924689 370549718 /nfs/dbraw/zinc/54/97/18/370549718.db2.gz DDXKZGGHMBNFFU-AWEZNQCLSA-N 0 3 274.364 2.425 20 30 CEEDHN COc1cc(CN[C@H]2CCO[C@H]2C2CC2)ccc1C#N ZINC000235009875 370553733 /nfs/dbraw/zinc/55/37/33/370553733.db2.gz UAAYJSDZNRTSCP-HOCLYGCPSA-N 0 3 272.348 2.224 20 30 CEEDHN CN(C[C@@H]1CCCN1C)c1nccc(C#N)c1Cl ZINC000234357546 370534831 /nfs/dbraw/zinc/53/48/31/370534831.db2.gz DTZFHIZCPBULGY-NSHDSACASA-N 0 3 264.760 2.137 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NCC(=O)N2Cc3ccccc3C2)C1 ZINC000355564779 370601642 /nfs/dbraw/zinc/60/16/42/370601642.db2.gz LIPCQDMYTMXOBT-CZUORRHYSA-N 0 3 283.375 2.201 20 30 CEEDHN C=C(C)COCCNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000355878041 370617451 /nfs/dbraw/zinc/61/74/51/370617451.db2.gz GQDNMHHYBRKQHP-OAHLLOKOSA-N 0 3 282.428 2.206 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCCC[C@@H]1C ZINC000358417651 371057825 /nfs/dbraw/zinc/05/78/25/371057825.db2.gz YWJWOAIDMZUZBN-DZGCQCFKSA-N 0 3 265.401 2.305 20 30 CEEDHN COCCN1CC[C@@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000358567420 371120836 /nfs/dbraw/zinc/12/08/36/371120836.db2.gz CLXGWKRZQPBGSX-TZMCWYRMSA-N 0 3 291.370 2.069 20 30 CEEDHN COCCCN(C)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358567026 371120887 /nfs/dbraw/zinc/12/08/87/371120887.db2.gz IVQXVNIIBFQSNL-ZDUSSCGKSA-N 0 3 293.386 2.316 20 30 CEEDHN C[C@H](NCCN1CCCC1)c1ccc(C#N)cc1F ZINC000358587936 371128629 /nfs/dbraw/zinc/12/86/29/371128629.db2.gz LFIOGXDMEXCHOM-LBPRGKRZSA-N 0 3 261.344 2.444 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(Oc2ncccc2F)CC1 ZINC000683680821 541843301 /nfs/dbraw/zinc/84/33/01/541843301.db2.gz MYYGWUGJNQIYIE-AWEZNQCLSA-N 0 3 280.343 2.001 20 30 CEEDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc(C#N)cc1F ZINC000358789196 371222058 /nfs/dbraw/zinc/22/20/58/371222058.db2.gz HOOLFKMXYMHZDN-MNOVXSKESA-N 0 3 278.327 2.375 20 30 CEEDHN CN(CCN1CCCC1)c1ncc(C#N)cc1Cl ZINC000358871381 371252330 /nfs/dbraw/zinc/25/23/30/371252330.db2.gz FTEUGZQZBFWKOC-UHFFFAOYSA-N 0 3 264.760 2.139 20 30 CEEDHN COc1cc(C#N)ccc1CN1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248848461 371255716 /nfs/dbraw/zinc/25/57/16/371255716.db2.gz SIIPBAWHWHPNBX-JJLQDPRZSA-N 0 3 274.364 2.301 20 30 CEEDHN N#Cc1ccc(CN2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000249102530 371294491 /nfs/dbraw/zinc/29/44/91/371294491.db2.gz GDZIXPBHYWAXDZ-GOSISDBHSA-N 0 3 299.418 2.245 20 30 CEEDHN C[C@@H]1CN(CCCOc2cccc(C#N)c2)CC[C@H]1O ZINC000249131813 371299148 /nfs/dbraw/zinc/29/91/48/371299148.db2.gz LYGQGBZKNGQAEO-CZUORRHYSA-N 0 3 274.364 2.030 20 30 CEEDHN CNC(=O)[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249393523 371319330 /nfs/dbraw/zinc/31/93/30/371319330.db2.gz SGPMVQBOZQFNKK-IUODEOHRSA-N 0 3 271.364 2.077 20 30 CEEDHN C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)CCCN1C ZINC000361631450 371989374 /nfs/dbraw/zinc/98/93/74/371989374.db2.gz KSSSWKQCXJEOBJ-ZWNOBZJWSA-N 0 3 274.324 2.361 20 30 CEEDHN CC#CCCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000361636954 371992481 /nfs/dbraw/zinc/99/24/81/371992481.db2.gz JHGTVDZCLUXVCA-UHFFFAOYSA-N 0 3 291.439 2.306 20 30 CEEDHN CC[C@H](C#N)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000263820837 371950548 /nfs/dbraw/zinc/95/05/48/371950548.db2.gz QCBZJXMHYRNXNE-HZPDHXFCSA-N 0 3 285.391 2.317 20 30 CEEDHN CN(CC(=O)NCc1cccc(C#N)c1)CC1CCCC1 ZINC000344190757 217090482 /nfs/dbraw/zinc/09/04/82/217090482.db2.gz SKMOOUXKIQKGET-UHFFFAOYSA-N 0 3 285.391 2.296 20 30 CEEDHN Cc1nnc(N2CCCN(CC(C)C)CC2)c(C#N)c1C ZINC000361831766 372089306 /nfs/dbraw/zinc/08/93/06/372089306.db2.gz SZSLHPZRUMWCQV-UHFFFAOYSA-N 0 3 287.411 2.133 20 30 CEEDHN Cc1nnc(N[C@@H]2CN(C(C)C)C[C@H]2C)c(C#N)c1C ZINC000268272801 372091863 /nfs/dbraw/zinc/09/18/63/372091863.db2.gz UOKAWGKEWHNOAR-QMTHXVAHSA-N 0 3 273.384 2.106 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN2CCC(n3ccnc3)CC2)cc1 ZINC000268657982 372170583 /nfs/dbraw/zinc/17/05/83/372170583.db2.gz HSVXYVJSZGIGKG-KRWDZBQOSA-N 0 3 296.374 2.125 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1cc(C)sc1C ZINC000268778774 372218116 /nfs/dbraw/zinc/21/81/16/372218116.db2.gz BGCRNNOEYVRWJF-NSHDSACASA-N 0 3 264.394 2.155 20 30 CEEDHN CC[C@@]1(C)CCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000344275484 217128117 /nfs/dbraw/zinc/12/81/17/217128117.db2.gz SVQZETKUTHHVIC-KRWDZBQOSA-N 0 3 285.391 2.296 20 30 CEEDHN C#CCCN1CCCN(c2ccc(C#N)cc2)CC1 ZINC000362453594 372370293 /nfs/dbraw/zinc/37/02/93/372370293.db2.gz SLBPHEUMCHDNRM-UHFFFAOYSA-N 0 3 253.349 2.094 20 30 CEEDHN C#CCCOc1ccc(CN2CCCN(C)CC2)cc1 ZINC000269383873 372437427 /nfs/dbraw/zinc/43/74/27/372437427.db2.gz YUDIGASWUXKRIC-UHFFFAOYSA-N 0 3 272.392 2.226 20 30 CEEDHN C[C@@H]1CCC[C@H](CO)N1CCOc1cccc(C#N)c1 ZINC000269704310 372540327 /nfs/dbraw/zinc/54/03/27/372540327.db2.gz NBXJLNNMLPGXLL-UKRRQHHQSA-N 0 3 274.364 2.172 20 30 CEEDHN COc1ccc(CN2CCN(C3CCC3)CC2)cc1C#N ZINC000269674061 372529959 /nfs/dbraw/zinc/52/99/59/372529959.db2.gz BFKCFOBHEZGUOU-UHFFFAOYSA-N 0 3 285.391 2.237 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000362931463 372577531 /nfs/dbraw/zinc/57/75/31/372577531.db2.gz JTUHAPVFYUFPPH-BBRMVZONSA-N 0 3 298.390 2.109 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc2cnccc2c1 ZINC000641767392 372706042 /nfs/dbraw/zinc/70/60/42/372706042.db2.gz JYQWLFOECZWQLO-MRXNPFEDSA-N 0 3 254.333 2.099 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc(C)cc1-c1ccnn1C ZINC000641766838 372706595 /nfs/dbraw/zinc/70/65/95/372706595.db2.gz BULZLBQJIKTQLP-MRXNPFEDSA-N 0 3 297.402 2.259 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc(OCC)c(F)c1 ZINC000641768006 372707467 /nfs/dbraw/zinc/70/74/67/372707467.db2.gz UBHVVPHVGKFNNN-CYBMUJFWSA-N 0 3 265.328 2.088 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccccc1OC(C)C ZINC000641768544 372709997 /nfs/dbraw/zinc/70/99/97/372709997.db2.gz BYYRGDPHTVDCGK-HNNXBMFYSA-N 0 3 261.365 2.338 20 30 CEEDHN CC#CC[C@@H](CO)NCc1c(C)nn(-c2ccccc2)c1C ZINC000641769638 372712406 /nfs/dbraw/zinc/71/24/06/372712406.db2.gz XBVZDNLOGGIPBW-INIZCTEOSA-N 0 3 297.402 2.353 20 30 CEEDHN C=C[C@H](CO)NCc1ccccc1CC(F)(F)F ZINC000641772058 372715737 /nfs/dbraw/zinc/71/57/37/372715737.db2.gz GEKWKMNUUSVZJT-GFCCVEGCSA-N 0 3 259.271 2.428 20 30 CEEDHN CO[C@@H]1C[C@@H](NCc2cnc3ccc(C#N)cn23)C1(C)C ZINC000344716528 217285067 /nfs/dbraw/zinc/28/50/67/217285067.db2.gz SHZGYCLCIPEXOE-ZIAGYGMSSA-N 0 3 284.363 2.109 20 30 CEEDHN COc1cc(C#N)ccc1CN(C)CC1(O)CCCC1 ZINC000271027124 373076915 /nfs/dbraw/zinc/07/69/15/373076915.db2.gz KGZBVYJVPCUWLD-UHFFFAOYSA-N 0 3 274.364 2.304 20 30 CEEDHN C#CCCCN[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000271064674 373102087 /nfs/dbraw/zinc/10/20/87/373102087.db2.gz UFHCWEGTPMCQHS-AWEZNQCLSA-N 0 3 298.308 2.409 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@H](C(=O)OC)C2)c1 ZINC000271093902 373114994 /nfs/dbraw/zinc/11/49/94/373114994.db2.gz LTNWSOXTPTZUKP-AWEZNQCLSA-N 0 3 275.348 2.246 20 30 CEEDHN CC(C)NC(=O)CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271974361 373240960 /nfs/dbraw/zinc/24/09/60/373240960.db2.gz XLWCFSZORWNEES-NSHDSACASA-N 0 3 277.343 2.263 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](NCCOCC(F)F)CC2 ZINC000353594408 220179876 /nfs/dbraw/zinc/17/98/76/220179876.db2.gz GKWYWBSFULDSDW-CYBMUJFWSA-N 0 3 266.291 2.417 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(C#N)cc3)[C@@H]2C1 ZINC000272160874 373334938 /nfs/dbraw/zinc/33/49/38/373334938.db2.gz ANILCUASTXAOGJ-UKRRQHHQSA-N 0 3 284.363 2.116 20 30 CEEDHN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000272319654 373429096 /nfs/dbraw/zinc/42/90/96/373429096.db2.gz UDZCATNTOSVCRG-MRXNPFEDSA-N 0 3 296.374 2.179 20 30 CEEDHN C[C@@H]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000272375358 373454288 /nfs/dbraw/zinc/45/42/88/373454288.db2.gz VCSMJNQMJWXISU-CZUORRHYSA-N 0 3 283.375 2.395 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)/C=C/c3ccccc3C#N)[C@@H]2C1 ZINC000272376937 373457109 /nfs/dbraw/zinc/45/71/09/373457109.db2.gz BKSKRZKELNCADH-WWJLMDQWSA-N 0 3 295.386 2.124 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@H]2OCC[C@H]2C1 ZINC000369653209 373481788 /nfs/dbraw/zinc/48/17/88/373481788.db2.gz HHDKBKYKHKQUHN-XJKSGUPXSA-N 0 3 272.348 2.178 20 30 CEEDHN C=CCCCCCN1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000369719726 373497860 /nfs/dbraw/zinc/49/78/60/373497860.db2.gz APOPIAYNAGBLGY-OLZOCXBDSA-N 0 3 252.358 2.163 20 30 CEEDHN C=CCOCCN[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000272482194 373508020 /nfs/dbraw/zinc/50/80/20/373508020.db2.gz BCQUYCGAMHHLCX-GFCCVEGCSA-N 0 3 274.364 2.059 20 30 CEEDHN C=CCOCCN[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000272595629 373569867 /nfs/dbraw/zinc/56/98/67/373569867.db2.gz SRNCUEUSMLUMPE-KZULUSFZSA-N 0 3 267.394 2.277 20 30 CEEDHN C=CCOc1ccc(CNC[C@@H](COC)OC)cc1OC ZINC000272731900 373633643 /nfs/dbraw/zinc/63/36/43/373633643.db2.gz ZYNXHCOPXKKNEN-AWEZNQCLSA-N 0 3 295.379 2.011 20 30 CEEDHN COc1cc(CN2CC[C@H]3OCC[C@H]3C2)ccc1C#N ZINC000370233921 373612495 /nfs/dbraw/zinc/61/24/95/373612495.db2.gz ULFUNETZRPFYET-LSDHHAIUSA-N 0 3 272.348 2.178 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000345166699 217435639 /nfs/dbraw/zinc/43/56/39/217435639.db2.gz SVEIPAXQJOVSHE-WFASDCNBSA-N 0 3 286.379 2.471 20 30 CEEDHN CN1CC=C(CNc2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000274214184 373841768 /nfs/dbraw/zinc/84/17/68/373841768.db2.gz LUKBRUMLXAWBDR-UHFFFAOYSA-N 0 3 272.308 2.140 20 30 CEEDHN COC(=O)[C@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000274991633 374117698 /nfs/dbraw/zinc/11/76/98/374117698.db2.gz BKQKAIUUKHMNPM-RISCZKNCSA-N 0 3 258.321 2.114 20 30 CEEDHN C=CC[C@H](C(=O)NC[C@@H](C)N(C)C)c1ccccc1 ZINC000275166654 374175285 /nfs/dbraw/zinc/17/52/85/374175285.db2.gz SWORYDMTAVRLCP-HIFRSBDPSA-N 0 3 260.381 2.413 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1CCCC[C@H]1OC ZINC000276903055 374341069 /nfs/dbraw/zinc/34/10/69/374341069.db2.gz DQFUVEPUKUOAIN-SOUVJXGZSA-N 0 3 280.412 2.123 20 30 CEEDHN C=CCSCCNCc1ccc(N(C)CCOC)nc1 ZINC000276946494 374354605 /nfs/dbraw/zinc/35/46/05/374354605.db2.gz ICVIARYTTJUMSW-UHFFFAOYSA-N 0 3 295.452 2.173 20 30 CEEDHN CCCN1CCCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000373519353 374372993 /nfs/dbraw/zinc/37/29/93/374372993.db2.gz AYLUUMGDFCKESX-UHFFFAOYSA-N 0 3 289.354 2.255 20 30 CEEDHN N#Cc1ccccc1OCCN1CCCC[C@H](CO)C1 ZINC000374048205 374474666 /nfs/dbraw/zinc/47/46/66/374474666.db2.gz DKOFZTZWKXFJID-AWEZNQCLSA-N 0 3 274.364 2.031 20 30 CEEDHN CCOCC[C@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000277655559 374595645 /nfs/dbraw/zinc/59/56/45/374595645.db2.gz IQVHGKBGIFFAPK-KRWDZBQOSA-N 0 3 288.391 2.310 20 30 CEEDHN C=CCN(C)[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000374913940 374636397 /nfs/dbraw/zinc/63/63/97/374636397.db2.gz LOZYCYHLYNLWCI-WBVHZDCISA-N 0 3 274.408 2.394 20 30 CEEDHN C#CCC(C)(C)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000375129019 374644627 /nfs/dbraw/zinc/64/46/27/374644627.db2.gz VLNSYGCBMSXMRK-ZDUSSCGKSA-N 0 3 262.397 2.169 20 30 CEEDHN C=C[C@](C)(O)CC(=O)Nc1cc(CN(C)C)ccc1C ZINC000279451598 374880159 /nfs/dbraw/zinc/88/01/59/374880159.db2.gz ODXHWFZVFPIQCA-INIZCTEOSA-N 0 3 276.380 2.322 20 30 CEEDHN CCn1nccc1C1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000279377815 374853897 /nfs/dbraw/zinc/85/38/97/374853897.db2.gz IQRYRTODRYXMPX-UHFFFAOYSA-N 0 3 297.406 2.493 20 30 CEEDHN CN(Cc1ccc(C#N)o1)C1CCN(c2cccnn2)CC1 ZINC000378346089 375076455 /nfs/dbraw/zinc/07/64/55/375076455.db2.gz CUMWUKWADQXMHG-UHFFFAOYSA-N 0 3 297.362 2.042 20 30 CEEDHN C[C@@H](N[C@@H]1CCN(c2ccn(C)n2)C1)c1cccc(C#N)c1 ZINC000378480224 375110680 /nfs/dbraw/zinc/11/06/80/375110680.db2.gz YQRGBTMOVTZOCN-CZUORRHYSA-N 0 3 295.390 2.221 20 30 CEEDHN C=CCOCCNCc1ccnn1-c1ccccc1C ZINC000684393970 541993044 /nfs/dbraw/zinc/99/30/44/541993044.db2.gz UYZKTTRHEHSEQW-UHFFFAOYSA-N 0 3 271.364 2.473 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(O)c1OC ZINC000280596313 375256070 /nfs/dbraw/zinc/25/60/70/375256070.db2.gz BXZXZCKRLDQXOL-HIFRSBDPSA-N 0 3 277.364 2.472 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(Cl)cnn1C ZINC000280595560 375256093 /nfs/dbraw/zinc/25/60/93/375256093.db2.gz IVEQHTSRFSHDMH-MFKMUULPSA-N 0 3 269.776 2.144 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cccc(OC)c1[O-] ZINC000280580047 375250160 /nfs/dbraw/zinc/25/01/60/375250160.db2.gz HLDRADQQXYWGNF-CZUORRHYSA-N 0 3 277.364 2.472 20 30 CEEDHN Cc1cc(C#N)nc(N[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000280674727 375281086 /nfs/dbraw/zinc/28/10/86/375281086.db2.gz CVJCZLRBTHEKCS-OAHLLOKOSA-N 0 3 293.374 2.343 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000280783862 375319828 /nfs/dbraw/zinc/31/98/28/375319828.db2.gz BLFQINVYSXZKNB-LLVKDONJSA-N 0 3 289.379 2.262 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1nc(C)ccc1[O-] ZINC000280604410 375258598 /nfs/dbraw/zinc/25/85/98/375258598.db2.gz JQAZJCJIRNHKKU-SWLSCSKDSA-N 0 3 262.353 2.166 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000280812619 375330778 /nfs/dbraw/zinc/33/07/78/375330778.db2.gz TZHXFEGNERSINA-NEPJUHHUSA-N 0 3 289.379 2.310 20 30 CEEDHN C[C@H](C#N)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000397978822 375345482 /nfs/dbraw/zinc/34/54/82/375345482.db2.gz GTOHQSSOWHCENW-PBHICJAKSA-N 0 3 285.391 2.317 20 30 CEEDHN C[C@@H]1C[C@H](Nc2ccnc(C#N)c2)CN1Cc1ccccc1 ZINC000398118872 375346285 /nfs/dbraw/zinc/34/62/85/375346285.db2.gz GOOONNMPFRHCMQ-KDOFPFPSSA-N 0 3 292.386 2.450 20 30 CEEDHN COc1cc(CN(C)C[C@@H]2CCOC2)ccc1C#N ZINC000398873005 375355411 /nfs/dbraw/zinc/35/54/11/375355411.db2.gz FVCPWOJERWIYBL-ZDUSSCGKSA-N 0 3 260.337 2.035 20 30 CEEDHN CC[C@@]1(CO)CCCN1Cc1ccc(C#N)c(OC)c1 ZINC000282318451 375456672 /nfs/dbraw/zinc/45/66/72/375456672.db2.gz NLMPZLXZQYEJBT-INIZCTEOSA-N 0 3 274.364 2.304 20 30 CEEDHN COc1cc(CN2CCN3CCCC[C@H]3C2)ccc1C#N ZINC000282371777 375468251 /nfs/dbraw/zinc/46/82/51/375468251.db2.gz QIIJQMDDGREKEG-INIZCTEOSA-N 0 3 285.391 2.237 20 30 CEEDHN COCC1(NCc2ccc(C#N)c(OC)c2)CCC1 ZINC000284038521 375799825 /nfs/dbraw/zinc/79/98/25/375799825.db2.gz OOYLKPGTWLPOMK-UHFFFAOYSA-N 0 3 260.337 2.226 20 30 CEEDHN C=CCN(CC=C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415973730 376030871 /nfs/dbraw/zinc/03/08/71/376030871.db2.gz NGZRVRDOUVLTOI-UHFFFAOYSA-N 0 3 287.363 2.375 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)NC[C@H](N)c1ccccc1 ZINC000418437527 376315020 /nfs/dbraw/zinc/31/50/20/376315020.db2.gz YDUJHCVBJDZMCS-GJZGRUSLSA-N 0 3 273.380 2.437 20 30 CEEDHN C=CCNC(=O)CN(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419324038 376442136 /nfs/dbraw/zinc/44/21/36/376442136.db2.gz JLQVPSKFMZMKJT-OLZOCXBDSA-N 0 3 252.402 2.435 20 30 CEEDHN COCCCCN(C)Cc1ccc(C#N)cc1OC ZINC000419384914 376449635 /nfs/dbraw/zinc/44/96/35/376449635.db2.gz KUUYNRLFHCQKKG-UHFFFAOYSA-N 0 3 262.353 2.425 20 30 CEEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1CC(=O)NC1(C#N)CCCCC1 ZINC000419388615 376450004 /nfs/dbraw/zinc/45/00/04/376450004.db2.gz GRERLDMRPROXQZ-HZSPNIEDSA-N 0 3 277.412 2.305 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419387545 376450295 /nfs/dbraw/zinc/45/02/95/376450295.db2.gz FUOKNLOLUSNTRZ-JTTNIQEDSA-N 0 3 279.428 2.406 20 30 CEEDHN CN1CCC2(CCCN2C(=O)c2cc(C#N)cs2)CC1 ZINC000334287135 206313091 /nfs/dbraw/zinc/31/30/91/206313091.db2.gz HOALHKOVEAKYEJ-UHFFFAOYSA-N 0 3 289.404 2.320 20 30 CEEDHN Cc1cc(C#N)cnc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000556799784 376490545 /nfs/dbraw/zinc/49/05/45/376490545.db2.gz PFMZSNPQZHGHSX-HNNXBMFYSA-N 0 3 298.390 2.008 20 30 CEEDHN COc1ccccc1OCCNCc1cc(C#N)n(C)c1 ZINC000558765596 376645683 /nfs/dbraw/zinc/64/56/83/376645683.db2.gz KLYRUVGCTWJSPM-UHFFFAOYSA-N 0 3 285.347 2.074 20 30 CEEDHN Cc1cn[nH]c1CN1CCCN(c2ccccc2C#N)CC1 ZINC000290317861 376731992 /nfs/dbraw/zinc/73/19/92/376731992.db2.gz BEQSIVBGURJMQC-UHFFFAOYSA-N 0 3 295.390 2.302 20 30 CEEDHN COC1([C@@H](C)NCc2ccccc2C#N)CCOCC1 ZINC000421029768 376790318 /nfs/dbraw/zinc/79/03/18/376790318.db2.gz IQXNGVQXRTWSLT-CYBMUJFWSA-N 0 3 274.364 2.232 20 30 CEEDHN C=CC[C@H](CO)N[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000280007413 542117492 /nfs/dbraw/zinc/11/74/92/542117492.db2.gz GLSPYQLJSZJFSD-TZMCWYRMSA-N 0 3 277.364 2.218 20 30 CEEDHN C(#Cc1ccccc1)CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000685412751 542134003 /nfs/dbraw/zinc/13/40/03/542134003.db2.gz RKNGXRMGIXGMHA-LJQANCHMSA-N 0 3 298.430 2.225 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cnn(Cc2ccccc2)c1 ZINC000320614778 376824458 /nfs/dbraw/zinc/82/44/58/376824458.db2.gz HHWLRBBUWGRYEE-KRWDZBQOSA-N 0 3 285.391 2.348 20 30 CEEDHN C=CCC[C@H](CO)NCc1cc(OC)cc(OC)c1 ZINC000320820475 376827052 /nfs/dbraw/zinc/82/70/52/376827052.db2.gz YHWWDJNBAPKXAC-CYBMUJFWSA-N 0 3 265.353 2.121 20 30 CEEDHN COc1ccccc1OCCN[C@H]1CC[C@@H](C#N)C1 ZINC000562462611 376899598 /nfs/dbraw/zinc/89/95/98/376899598.db2.gz ZACNBSGLWAJNMO-OLZOCXBDSA-N 0 3 260.337 2.356 20 30 CEEDHN C[C@]1(CNCc2nc(C#N)cs2)CCO[C@@H]1C1CC1 ZINC000562078629 376843186 /nfs/dbraw/zinc/84/31/86/376843186.db2.gz QCVATSONQIZZNU-ZIAGYGMSSA-N 0 3 277.393 2.310 20 30 CEEDHN C[C@H](C(=O)NCc1ccc(C#N)s1)N1[C@H](C)CC[C@H]1C ZINC000421921933 376849300 /nfs/dbraw/zinc/84/93/00/376849300.db2.gz QRAWMPVXWUGQDJ-IJLUTSLNSA-N 0 3 291.420 2.497 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3nncn3C3CC3)C2)C1 ZINC000328855384 376910049 /nfs/dbraw/zinc/91/00/49/376910049.db2.gz TWXUZHWCKBNYJP-VNHYZAJKSA-N 0 3 285.395 2.485 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CC[C@@H](C2CC2)C1)C1CC1 ZINC000328945430 376925051 /nfs/dbraw/zinc/92/50/51/376925051.db2.gz MAUKUCDDCCJKFV-IUODEOHRSA-N 0 3 261.369 2.367 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1cn2c(n1)CCCC2 ZINC000329211911 376933697 /nfs/dbraw/zinc/93/36/97/376933697.db2.gz HKFKNKWPCTZODR-ZDUSSCGKSA-N 0 3 290.411 2.398 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)c1cc2nc[nH]c2cc1F ZINC000329292528 376939843 /nfs/dbraw/zinc/93/98/43/376939843.db2.gz NRKUEGOXIRSKQB-SNVBAGLBSA-N 0 3 290.342 2.491 20 30 CEEDHN C[C@@H](NC(=O)NCCN1CCC(C)CC1)[C@H]1CCCOC1 ZINC000329395256 376959912 /nfs/dbraw/zinc/95/99/12/376959912.db2.gz VNAKSWZTTOVRSU-CABCVRRESA-N 0 3 297.443 2.037 20 30 CEEDHN C=C(CNC(=O)C12CCCN1CCC2)c1ccccc1 ZINC000290936527 376993441 /nfs/dbraw/zinc/99/34/41/376993441.db2.gz PLHLHOVJUULJFD-UHFFFAOYSA-N 0 3 270.376 2.444 20 30 CEEDHN C=CCN(C(=O)[C@H](N)CC)c1nc2c(s1)CCCC2 ZINC000563156082 377108285 /nfs/dbraw/zinc/10/82/85/377108285.db2.gz ZLLZNYJYNJPNHH-SNVBAGLBSA-N 0 3 279.409 2.278 20 30 CEEDHN CC[C@@H]1CCCN1CC(=O)NC(=O)Nc1ccccc1 ZINC000330506415 377164410 /nfs/dbraw/zinc/16/44/10/377164410.db2.gz HFXOZONFNCTNFT-CYBMUJFWSA-N 0 3 275.352 2.223 20 30 CEEDHN CC#CCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000292624811 377258560 /nfs/dbraw/zinc/25/85/60/377258560.db2.gz SDAQUSWOKPARRG-UKRRQHHQSA-N 0 3 273.380 2.000 20 30 CEEDHN CCOc1nccc(C)c1C(=O)NC[C@@H]1CCN(C)C1 ZINC000331205799 377326297 /nfs/dbraw/zinc/32/62/97/377326297.db2.gz DFMSAPTZUUVJFC-LBPRGKRZSA-N 0 3 277.368 2.045 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(CC=C)CCOCC2)CC1 ZINC000424645276 377280731 /nfs/dbraw/zinc/28/07/31/377280731.db2.gz HZTSFZGRIPTPSI-UHFFFAOYSA-N 0 3 292.423 2.126 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000424667901 377283043 /nfs/dbraw/zinc/28/30/43/377283043.db2.gz AHAROOWIXARAPU-ZDUSSCGKSA-N 0 3 252.402 2.389 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000424814380 377297515 /nfs/dbraw/zinc/29/75/15/377297515.db2.gz VHGCAVWHFUKMEQ-AWEZNQCLSA-N 0 3 282.428 2.206 20 30 CEEDHN CN(CCNc1ccc(Cl)c(C#N)n1)C1CC1 ZINC000264937135 190145920 /nfs/dbraw/zinc/14/59/20/190145920.db2.gz QWLZLVPODBUYHW-UHFFFAOYSA-N 0 3 250.733 2.113 20 30 CEEDHN N#Cc1ccc(CNC[C@H](CO)C2CCCCC2)o1 ZINC000293027194 377399132 /nfs/dbraw/zinc/39/91/32/377399132.db2.gz PLAPKUCVJMQIGD-CYBMUJFWSA-N 0 3 262.353 2.430 20 30 CEEDHN CC(C)(CO)[C@H](NCC#Cc1ccccc1)C1CC1 ZINC000292906338 377345626 /nfs/dbraw/zinc/34/56/26/377345626.db2.gz ASQHTUSIAYXXPH-MRXNPFEDSA-N 0 3 257.377 2.425 20 30 CEEDHN CC#CCCN(CC1CC1)[C@](C)(CC)C(=O)OC ZINC000425511733 377357618 /nfs/dbraw/zinc/35/76/18/377357618.db2.gz LSEMJAPUSAQIAI-OAHLLOKOSA-N 0 3 251.370 2.454 20 30 CEEDHN CC/C=C\CNC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000564860442 377481573 /nfs/dbraw/zinc/48/15/73/377481573.db2.gz RBVVKRZTDDENGS-ABCZVMIZSA-N 0 3 274.364 2.048 20 30 CEEDHN N#CCC1(CNCCC(=O)Nc2cccc(F)c2)CC1 ZINC000564863064 377482370 /nfs/dbraw/zinc/48/23/70/377482370.db2.gz FIPBDLQMROFRHM-UHFFFAOYSA-N 0 3 275.327 2.438 20 30 CEEDHN C=CCOc1ccccc1CN1C[C@@H](O)C2(CC2)C1 ZINC000428375610 377490458 /nfs/dbraw/zinc/49/04/58/377490458.db2.gz PDXMALNBZJFINV-OAHLLOKOSA-N 0 3 259.349 2.208 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000428624004 377497844 /nfs/dbraw/zinc/49/78/44/377497844.db2.gz IMWOMCRVNQPMHR-WDSKDSINSA-N 0 3 277.271 2.499 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC2CC(F)(F)C2)CC1 ZINC000428625300 377498116 /nfs/dbraw/zinc/49/81/16/377498116.db2.gz JVSQXRNBXPVBPW-UHFFFAOYSA-N 0 3 287.354 2.124 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)[C@H]1CC[C@H](C)C1 ZINC000429591532 377517534 /nfs/dbraw/zinc/51/75/34/377517534.db2.gz OGHOBQXQSCMGIN-KBPBESRZSA-N 0 3 250.386 2.307 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](CSC)C1 ZINC000429273009 377515120 /nfs/dbraw/zinc/51/51/20/377515120.db2.gz FJJHPVGQCAEINW-KBPBESRZSA-N 0 3 297.468 2.070 20 30 CEEDHN CCC(C)(C)N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000265173268 190163739 /nfs/dbraw/zinc/16/37/39/190163739.db2.gz FFMXLEOHULHMMG-UHFFFAOYSA-N 0 3 273.380 2.295 20 30 CEEDHN C=CCCCCCNC(=O)NC[C@@H]1CCCN1C ZINC000565172297 377587192 /nfs/dbraw/zinc/58/71/92/377587192.db2.gz LXIWFGDLLNAXEE-ZDUSSCGKSA-N 0 3 253.390 2.126 20 30 CEEDHN Cc1cc(CNCC2([S@@](C)=O)CCC2)ccc1C#N ZINC000332438505 377603455 /nfs/dbraw/zinc/60/34/55/377603455.db2.gz DCLNDZSPAVAKLF-LJQANCHMSA-N 0 3 276.405 2.258 20 30 CEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC1(CC#N)CC1 ZINC000431193739 377614787 /nfs/dbraw/zinc/61/47/87/377614787.db2.gz PNXYTVLBDJONOB-CYBMUJFWSA-N 0 3 292.427 2.052 20 30 CEEDHN N#CCc1ccc(CNC(=O)C2CCN(C3CC3)CC2)cc1 ZINC000565544602 377672775 /nfs/dbraw/zinc/67/27/75/377672775.db2.gz PKHVCKSEYQLQFS-UHFFFAOYSA-N 0 3 297.402 2.243 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000432098948 377714051 /nfs/dbraw/zinc/71/40/51/377714051.db2.gz OMZYUYPUQZWWIB-OCCSQVGLSA-N 0 3 279.428 2.371 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC000566064827 377717722 /nfs/dbraw/zinc/71/77/22/377717722.db2.gz LVQAWHTVSLTRCJ-GOEBONIOSA-N 0 3 298.390 2.425 20 30 CEEDHN CS(=O)(=O)CCCN[C@H](CCCC#N)c1ccccc1 ZINC000433011329 377778322 /nfs/dbraw/zinc/77/83/22/377778322.db2.gz FOBDUPYOOVMMJX-OAHLLOKOSA-N 0 3 294.420 2.446 20 30 CEEDHN C=CCCC[C@@H](C)N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000433053040 377779730 /nfs/dbraw/zinc/77/97/30/377779730.db2.gz OQXJRGIZTFDQLM-ZIAGYGMSSA-N 0 3 273.442 2.488 20 30 CEEDHN C=CCCC[C@H](C)N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000433053039 377780290 /nfs/dbraw/zinc/78/02/90/377780290.db2.gz OQXJRGIZTFDQLM-UONOGXRCSA-N 0 3 273.442 2.488 20 30 CEEDHN N#Cc1cnc(CNC2C3CC4CC(C3)CC2C4)nc1 ZINC000333546587 377781030 /nfs/dbraw/zinc/78/10/30/377781030.db2.gz OOOXVKQRKYXYNN-UHFFFAOYSA-N 0 3 268.364 2.263 20 30 CEEDHN CCN1CCCC[C@H]1C(=O)NCc1ccc(CC#N)cc1 ZINC000566279428 377750645 /nfs/dbraw/zinc/75/06/45/377750645.db2.gz QQZGGJXIRZJGQS-INIZCTEOSA-N 0 3 285.391 2.243 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000566681429 377765082 /nfs/dbraw/zinc/76/50/82/377765082.db2.gz TTZYCPHVWMMNFK-KGLIPLIRSA-N 0 3 298.390 2.023 20 30 CEEDHN CCN(CCNC(=O)[C@@H](C#N)CCc1ccccc1)C1CC1 ZINC000433347127 377789075 /nfs/dbraw/zinc/78/90/75/377789075.db2.gz KUDLAYXQSUNXGV-MRXNPFEDSA-N 0 3 299.418 2.359 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccc(=O)[nH]c1 ZINC000433343843 377790202 /nfs/dbraw/zinc/79/02/02/377790202.db2.gz PODJYPGFKKCICS-OAHLLOKOSA-N 0 3 295.342 2.176 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCC(F)F ZINC000433385026 377792576 /nfs/dbraw/zinc/79/25/76/377792576.db2.gz XIVVZKDAOZROKM-NSHDSACASA-N 0 3 252.264 2.140 20 30 CEEDHN C=CC[C@H](C)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433917880 377793991 /nfs/dbraw/zinc/79/39/91/377793991.db2.gz HAESJYVRBOJTDF-GXTWGEPZSA-N 0 3 265.401 2.267 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000438181299 377891750 /nfs/dbraw/zinc/89/17/50/377891750.db2.gz UXUVXUNHRQYPIQ-OCCSQVGLSA-N 0 3 274.364 2.065 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC000437492748 377845784 /nfs/dbraw/zinc/84/57/84/377845784.db2.gz DGTMWSFBARIPIU-OAGGEKHMSA-N 0 3 294.439 2.348 20 30 CEEDHN C=CCOc1ccccc1CN(C)CC1(O)CCOCC1 ZINC000438554023 377907532 /nfs/dbraw/zinc/90/75/32/377907532.db2.gz NXMAIFZHFAHRPS-UHFFFAOYSA-N 0 3 291.391 2.225 20 30 CEEDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc(C#N)c(OC)c1 ZINC000442837108 378006176 /nfs/dbraw/zinc/00/61/76/378006176.db2.gz PGYGTNUMGSPZPX-VXGBXAGGSA-N 0 3 290.363 2.244 20 30 CEEDHN COC(=O)c1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1OC ZINC000442833411 378006191 /nfs/dbraw/zinc/00/61/91/378006191.db2.gz BVOUYQBSZBXWOB-AAEUAGOBSA-N 0 3 288.347 2.264 20 30 CEEDHN N#C[C@H]1CC[C@H](NCCNC(=O)c2ccccc2Cl)C1 ZINC000442789219 377995926 /nfs/dbraw/zinc/99/59/26/377995926.db2.gz JQJHNDJGJZRTCB-RYUDHWBXSA-N 0 3 291.782 2.352 20 30 CEEDHN CCOCCOc1cc(C)ccc1CNC(=O)C(C)C#N ZINC000446503617 378085818 /nfs/dbraw/zinc/08/58/18/378085818.db2.gz CFNQGTHNXHHCAR-ZDUSSCGKSA-N 0 3 290.363 2.186 20 30 CEEDHN CC(C)[C@H]1CCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000446731663 378086123 /nfs/dbraw/zinc/08/61/23/378086123.db2.gz KDTCCEAQPXBTCH-DZGCQCFKSA-N 0 3 265.401 2.019 20 30 CEEDHN C=C[C@H](CO)NCc1cccc2c(OC)cccc12 ZINC000449326912 378203528 /nfs/dbraw/zinc/20/35/28/378203528.db2.gz AEDPYOIMKUJTFA-CYBMUJFWSA-N 0 3 257.333 2.485 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000449518712 378215527 /nfs/dbraw/zinc/21/55/27/378215527.db2.gz KNNHMCKGJUMUPX-XZJROXQQSA-N 0 3 289.375 2.452 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(C(=O)OC)c1 ZINC000449548948 378216399 /nfs/dbraw/zinc/21/63/99/378216399.db2.gz SJRBNXWBFWPIIY-CABCVRRESA-N 0 3 275.348 2.296 20 30 CEEDHN C[C@@H](NCc1ccc(Br)cc1C#N)[C@H](C)CO ZINC000295723278 378277937 /nfs/dbraw/zinc/27/79/37/378277937.db2.gz LFUJFTLVPDWNKY-NXEZZACHSA-N 0 3 297.196 2.427 20 30 CEEDHN C[C@H](CO)[C@H](C)NCc1ccc(Br)cc1C#N ZINC000295723284 378278171 /nfs/dbraw/zinc/27/81/71/378278171.db2.gz LFUJFTLVPDWNKY-ZJUUUORDSA-N 0 3 297.196 2.427 20 30 CEEDHN C[C@H](CO)[C@H](C)NCc1ccc(C#N)cc1Br ZINC000295821530 378318490 /nfs/dbraw/zinc/31/84/90/378318490.db2.gz VGKHKSJQQIXMTL-ZJUUUORDSA-N 0 3 297.196 2.427 20 30 CEEDHN C[C@H](CNc1nccc(C#N)n1)N1CCCC[C@H]1C ZINC000450258969 378330418 /nfs/dbraw/zinc/33/04/18/378330418.db2.gz UJDVHAIWUNJHQF-VXGBXAGGSA-N 0 3 259.357 2.023 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNc1nccc(C#N)n1 ZINC000450326762 378356263 /nfs/dbraw/zinc/35/62/63/378356263.db2.gz ZRBQPQFGOCQRNW-TXEJJXNPSA-N 0 3 259.357 2.023 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000296053053 378403336 /nfs/dbraw/zinc/40/33/36/378403336.db2.gz AABVTTBZAPPQCM-QGZVFWFLSA-N 0 3 299.418 2.392 20 30 CEEDHN C[C@H]1CCCCN1CCNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000296232604 378460529 /nfs/dbraw/zinc/46/05/29/378460529.db2.gz DXVQARCGJBOWHV-NSHDSACASA-N 0 3 289.339 2.148 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCc1cccc(Cl)c1 ZINC000296096646 378417569 /nfs/dbraw/zinc/41/75/69/378417569.db2.gz GIABWTPYYDQQRO-UHFFFAOYSA-N 0 3 293.798 2.094 20 30 CEEDHN C=CCNC(=O)CNCCCc1c(F)cccc1Cl ZINC000278523733 194026712 /nfs/dbraw/zinc/02/67/12/194026712.db2.gz SRGADWXDLMJDTO-UHFFFAOYSA-N 0 3 284.762 2.304 20 30 CEEDHN CCOc1ccc(C#N)cc1NC(=O)NC[C@H](C)N(C)C ZINC000299182125 378927603 /nfs/dbraw/zinc/92/76/03/378927603.db2.gz UTWMJTQDKWTBNK-NSHDSACASA-N 0 3 290.367 2.029 20 30 CEEDHN CCCN(CC(=O)NCc1ccc(C#N)cc1)CC1CC1 ZINC000299366197 378973613 /nfs/dbraw/zinc/97/36/13/378973613.db2.gz FOZYPEYTQSURIH-UHFFFAOYSA-N 0 3 285.391 2.296 20 30 CEEDHN C[C@@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000299308413 378958447 /nfs/dbraw/zinc/95/84/47/378958447.db2.gz RNLCSXQWRHKPTL-CQSZACIVSA-N 0 3 285.391 2.296 20 30 CEEDHN C[C@H](C#N)OCCN(C)CCCN(C)C(=O)OC(C)(C)C ZINC000497098242 379048850 /nfs/dbraw/zinc/04/88/50/379048850.db2.gz BTHOXXQJKWYDOU-CYBMUJFWSA-N 0 3 299.415 2.104 20 30 CEEDHN N#CCC1(CNCc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000515114964 379186435 /nfs/dbraw/zinc/18/64/35/379186435.db2.gz YGJUURKNQXPSPI-UHFFFAOYSA-N 0 3 285.326 2.190 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@@H](O)CO[C@H](C)COC ZINC000278792961 194158473 /nfs/dbraw/zinc/15/84/73/194158473.db2.gz XXNIMGUUATUCNC-NVXWUHKLSA-N 0 3 293.407 2.087 20 30 CEEDHN C#C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000300849743 379181251 /nfs/dbraw/zinc/18/12/51/379181251.db2.gz FDABMSRGIHNGLM-STQMWFEESA-N 0 3 266.385 2.243 20 30 CEEDHN C#CC[C@@H](NC[C@H](O)CCOCC)c1ccccc1 ZINC000278859617 194185829 /nfs/dbraw/zinc/18/58/29/194185829.db2.gz RZCRHOVLVDDVIG-HZPDHXFCSA-N 0 3 261.365 2.128 20 30 CEEDHN CCC1(O)CCN(CCOc2ccccc2C#N)CC1 ZINC000266592649 190269290 /nfs/dbraw/zinc/26/92/90/190269290.db2.gz NDKCWOIJYOLBNW-UHFFFAOYSA-N 0 3 274.364 2.174 20 30 CEEDHN C[C@@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C[C@@H]1C ZINC000347588905 218283628 /nfs/dbraw/zinc/28/36/28/218283628.db2.gz KRVVSLSWKITYHF-KGLIPLIRSA-N 0 3 285.391 2.152 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@H](C)n2cccc2)CC1 ZINC000520691364 379498961 /nfs/dbraw/zinc/49/89/61/379498961.db2.gz KWIFDDSEISNIAE-AWEZNQCLSA-N 0 3 275.396 2.206 20 30 CEEDHN COC(=O)CC1(NCc2cccc(C#N)c2)CCC1 ZINC000347665294 218313465 /nfs/dbraw/zinc/31/34/65/218313465.db2.gz QWRDHBLGWSANAA-UHFFFAOYSA-N 0 3 258.321 2.134 20 30 CEEDHN COc1cc(F)cc(C[C@H](C)NC(=O)C(C)C#N)c1 ZINC000457042899 379637028 /nfs/dbraw/zinc/63/70/28/379637028.db2.gz AAOJNACAXHRDAO-ZJUUUORDSA-N 0 3 264.300 2.041 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457101567 379667620 /nfs/dbraw/zinc/66/76/20/379667620.db2.gz YOLAVJMBDUYSBO-OAHLLOKOSA-N 0 3 285.391 2.421 20 30 CEEDHN COCCN(CCC(C)(C)O)Cc1ccc(C#N)cc1 ZINC000267442711 190331477 /nfs/dbraw/zinc/33/14/77/190331477.db2.gz POIPRKLQEGVKQV-UHFFFAOYSA-N 0 3 276.380 2.168 20 30 CEEDHN CC[C@@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528399613 379958327 /nfs/dbraw/zinc/95/83/27/379958327.db2.gz ITCFFUVWDUZUIY-CQSZACIVSA-N 0 3 296.370 2.018 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000468770424 380069648 /nfs/dbraw/zinc/06/96/48/380069648.db2.gz AXVUUEAOYUFKDK-CAOSSQGBSA-N 0 3 294.439 2.204 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000468475218 380069736 /nfs/dbraw/zinc/06/97/36/380069736.db2.gz NNKZBRSNHYCCFE-RBSFLKMASA-N 0 3 294.439 2.204 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000470167093 380070680 /nfs/dbraw/zinc/07/06/80/380070680.db2.gz LRBBYEDHPVSNHX-ARFHVFGLSA-N 0 3 292.423 2.101 20 30 CEEDHN C[C@H](CC(=O)C(C#N)C(=O)N1CCCC1)c1ccco1 ZINC000528916682 380135804 /nfs/dbraw/zinc/13/58/04/380135804.db2.gz RIQXOFZKPRACOJ-VXGBXAGGSA-N 0 3 274.320 2.104 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1cccc(C#N)c1 ZINC000268129899 190379553 /nfs/dbraw/zinc/37/95/53/190379553.db2.gz PFPKWJSHOKOGDR-XHDPSFHLSA-N 0 3 284.363 2.162 20 30 CEEDHN CCc1nnc(N2CC[C@H]3CC[C@@H](C2)N3C)c(C#N)c1CC ZINC000268159419 190382356 /nfs/dbraw/zinc/38/23/56/190382356.db2.gz GUJAOJLFYNUQHO-OLZOCXBDSA-N 0 3 299.422 2.146 20 30 CEEDHN CC1CC(C#N)(C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000529724148 380184968 /nfs/dbraw/zinc/18/49/68/380184968.db2.gz XJEAAFWYFVKICT-GULBITTBSA-N 0 3 289.423 2.449 20 30 CEEDHN COc1ccc2c(c1)CCCN(C(=O)C(C)C#N)C2 ZINC000530575350 380203064 /nfs/dbraw/zinc/20/30/64/380203064.db2.gz ZSHBLFHUUIUDHI-LLVKDONJSA-N 0 3 258.321 2.130 20 30 CEEDHN CCOC(=O)C1(CNCc2cc(C#N)cs2)CCC1 ZINC000541551337 380275528 /nfs/dbraw/zinc/27/55/28/380275528.db2.gz ICYLCARJNOHHCF-UHFFFAOYSA-N 0 3 278.377 2.443 20 30 CEEDHN C=CCN(Cc1ccccc1)C(=O)/C=C\CN(C)C ZINC000492899716 380723791 /nfs/dbraw/zinc/72/37/91/380723791.db2.gz VYIZGYSSAOVXEZ-FLIBITNWSA-N 0 3 258.365 2.319 20 30 CEEDHN C=C[C@](C)(O)CC(=O)Nc1cccc(CN(C)C)c1 ZINC000279224972 194341132 /nfs/dbraw/zinc/34/11/32/194341132.db2.gz OCNUXFALOZCRSK-HNNXBMFYSA-N 0 3 262.353 2.014 20 30 CEEDHN C=CCCOCCN[C@H](C)c1ccnc(OC)c1 ZINC000556264086 380890699 /nfs/dbraw/zinc/89/06/99/380890699.db2.gz KSDGIZZWBZFRDW-GFCCVEGCSA-N 0 3 250.342 2.334 20 30 CEEDHN C#CC(C)(C)N(C)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000279328277 194387710 /nfs/dbraw/zinc/38/77/10/194387710.db2.gz SXNRTGMYZQSHJR-CYBMUJFWSA-N 0 3 286.375 2.251 20 30 CEEDHN CC#CCN1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000493949657 381151742 /nfs/dbraw/zinc/15/17/42/381151742.db2.gz SCBZVKVVVGJXDF-STQMWFEESA-N 0 3 266.385 2.245 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495738958 381183308 /nfs/dbraw/zinc/18/33/08/381183308.db2.gz NSVLROZPHYQFTR-QWHCGFSZSA-N 0 3 266.385 2.387 20 30 CEEDHN C=CCOCCN(C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000496081729 381196432 /nfs/dbraw/zinc/19/64/32/381196432.db2.gz LZOKKGJVVMCZMS-GFCCVEGCSA-N 0 3 272.389 2.034 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000280944348 195039467 /nfs/dbraw/zinc/03/94/67/195039467.db2.gz GMLPZHAOHNPNMX-ZDUSSCGKSA-N 0 3 287.363 2.206 20 30 CEEDHN C#CCCCC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000192041448 533016999 /nfs/dbraw/zinc/01/69/99/533016999.db2.gz ZVLRDHIMLXWYEV-UHFFFAOYSA-N 0 3 288.391 2.047 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000335348850 208246035 /nfs/dbraw/zinc/24/60/35/208246035.db2.gz KYMZFULLTDKFKA-NWDGAFQWSA-N 0 3 272.352 2.081 20 30 CEEDHN C=CCOCCN[C@@H](C)c1cnc2cc(C)nn2c1C ZINC000383581902 542368049 /nfs/dbraw/zinc/36/80/49/542368049.db2.gz HZLQHQMOCITXDT-LBPRGKRZSA-N 0 3 274.368 2.199 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H](OCc2ccccc2F)C1 ZINC000352155170 533109377 /nfs/dbraw/zinc/10/93/77/533109377.db2.gz CQRCZOCUXVXLHL-GXTWGEPZSA-N 0 3 290.338 2.493 20 30 CEEDHN CC(C#N)C(=O)NCCNc1cccc(Br)c1 ZINC000352730139 533114436 /nfs/dbraw/zinc/11/44/36/533114436.db2.gz GLOWSLZVHIJLPU-VIFPVBQESA-N 0 3 296.168 2.137 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000347753538 533115960 /nfs/dbraw/zinc/11/59/60/533115960.db2.gz LPOBYDGZYQSIJH-IUCAKERBSA-N 0 3 288.282 2.213 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000347035148 533116784 /nfs/dbraw/zinc/11/67/84/533116784.db2.gz KJLICXCKFTWJLD-RYUDHWBXSA-N 0 3 285.347 2.150 20 30 CEEDHN CO[C@H](CNC(=O)C(C)C#N)c1cccc(Cl)c1 ZINC000347760427 533170505 /nfs/dbraw/zinc/17/05/05/533170505.db2.gz YDTMZFCRHQZOCH-JOYOIKCWSA-N 0 3 266.728 2.303 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000355234737 262356478 /nfs/dbraw/zinc/35/64/78/262356478.db2.gz HYNRDVTZDQSJOS-ZFWWWQNUSA-N 0 3 263.385 2.059 20 30 CEEDHN COc1cc(CNCCc2nccs2)ccc1C#N ZINC000281725027 195353972 /nfs/dbraw/zinc/35/39/72/195353972.db2.gz PKUFNRLCJSYLGK-UHFFFAOYSA-N 0 3 273.361 2.356 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](CO)[C@H]1C ZINC000412068905 533494372 /nfs/dbraw/zinc/49/43/72/533494372.db2.gz FJJWOEHTBOLKBG-DOMZBBRYSA-N 0 3 274.364 2.160 20 30 CEEDHN C[C@@H](N[C@H](C)c1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000345037228 533535978 /nfs/dbraw/zinc/53/59/78/533535978.db2.gz QGZLKTOALGNCSH-CHWSQXEVSA-N 0 3 271.364 2.288 20 30 CEEDHN C#CCN(C)C(=O)c1oc2ccccc2c1CN(C)C ZINC000191171923 130195070 /nfs/dbraw/zinc/19/50/70/130195070.db2.gz SCZTWVCZNONEFO-UHFFFAOYSA-N 0 3 270.332 2.200 20 30 CEEDHN C[C@@H]1CCC[C@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000355687377 394502699 /nfs/dbraw/zinc/50/26/99/394502699.db2.gz XFBDYCWNZRDFJT-BYCMXARLSA-N 0 3 271.364 2.110 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CS[C@@H](C)C2)CC1 ZINC000413237611 394509852 /nfs/dbraw/zinc/50/98/52/394509852.db2.gz LFLHNDDTKQNELG-GXTWGEPZSA-N 0 3 297.468 2.220 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnc(C)n2)CC1 ZINC000329614622 394576471 /nfs/dbraw/zinc/57/64/71/394576471.db2.gz PGLRIYBOFLWSKL-UHFFFAOYSA-N 0 3 289.383 2.151 20 30 CEEDHN CC[C@H](NC(=O)N[C@@H]1CCCN(CC)C1)C1CCOCC1 ZINC000329915046 394593881 /nfs/dbraw/zinc/59/38/81/394593881.db2.gz YCPKIMMEIXILGM-CABCVRRESA-N 0 3 297.443 2.180 20 30 CEEDHN O=C(NC[C@@H]1CCCCS1)N[C@H]1CCc2[nH]cnc2C1 ZINC000329621523 394577377 /nfs/dbraw/zinc/57/73/77/394577377.db2.gz RMPJTECBYPJMEG-QWRGUYRKSA-N 0 3 294.424 2.056 20 30 CEEDHN O=C(NC[C@@H]1CCCCS1)N[C@H]1CCc2nc[nH]c2C1 ZINC000329621523 394577380 /nfs/dbraw/zinc/57/73/80/394577380.db2.gz RMPJTECBYPJMEG-QWRGUYRKSA-N 0 3 294.424 2.056 20 30 CEEDHN Cc1nc(C)c(C(=O)N[C@@H](C)C2=CCN(C)CC2)o1 ZINC000329718941 394580956 /nfs/dbraw/zinc/58/09/56/394580956.db2.gz ZQMZSWGHJLDMHV-VIFPVBQESA-N 0 3 263.341 2.246 20 30 CEEDHN Cc1ncc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c(C2CC2)n1 ZINC000329821846 394588616 /nfs/dbraw/zinc/58/86/16/394588616.db2.gz YVMFAMFJMTVYRM-GXFFZTMASA-N 0 3 288.395 2.450 20 30 CEEDHN CC[C@H](NC(=O)NC[C@@H]1CCCN1CC)C1CCOCC1 ZINC000329942070 394597442 /nfs/dbraw/zinc/59/74/42/394597442.db2.gz HAXPQIHYBKPPRR-GJZGRUSLSA-N 0 3 297.443 2.180 20 30 CEEDHN Cc1coc(C)c1C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000330469971 394613635 /nfs/dbraw/zinc/61/36/35/394613635.db2.gz LYCAVVVLMVXIAR-CQSZACIVSA-N 0 3 294.395 2.294 20 30 CEEDHN CN(C)CCc1ccccc1NC(=O)c1cc(C#N)ccn1 ZINC000356888385 394644016 /nfs/dbraw/zinc/64/40/16/394644016.db2.gz FBZODNDCZCFAOG-UHFFFAOYSA-N 0 3 294.358 2.310 20 30 CEEDHN Cn1c2ccccc2nc1CCN1CCC(C#N)CC1 ZINC000265511945 394649128 /nfs/dbraw/zinc/64/91/28/394649128.db2.gz PNEWXSQYPYTDLG-UHFFFAOYSA-N 0 3 268.364 2.351 20 30 CEEDHN COC(=O)[C@@H](C)CN(C)[C@@H](C)c1ccc(C#N)cc1 ZINC000265528916 394649993 /nfs/dbraw/zinc/64/99/93/394649993.db2.gz PKCQSOVNUIDDQZ-RYUDHWBXSA-N 0 3 260.337 2.360 20 30 CEEDHN Cc1ccc(N(CCC#N)C(=O)/C=C/CN(C)C)cc1 ZINC000265693504 394652070 /nfs/dbraw/zinc/65/20/70/394652070.db2.gz ZITLLMMUZBRUPY-GQCTYLIASA-N 0 3 271.364 2.360 20 30 CEEDHN C=CCn1c(SC[C@H](C)N(C)C)nnc1C1CC1 ZINC000358865682 394730540 /nfs/dbraw/zinc/73/05/40/394730540.db2.gz YRLUCYSUBUXCNH-JTQLQIEISA-N 0 3 266.414 2.384 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCO[C@H](CC)C2)CC1 ZINC000358983698 394735409 /nfs/dbraw/zinc/73/54/09/394735409.db2.gz OVKLTSLGHYBTEC-GDBMZVCRSA-N 0 3 294.439 2.348 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000334329157 394675417 /nfs/dbraw/zinc/67/54/17/394675417.db2.gz IYTLETADHIKUMZ-NXEZZACHSA-N 0 3 295.745 2.334 20 30 CEEDHN COc1ccc(CN2CCN(C)[C@@H](C)[C@H]2C)cc1C#N ZINC000357001417 394677810 /nfs/dbraw/zinc/67/78/10/394677810.db2.gz MIUVKQGJGFTWRS-QWHCGFSZSA-N 0 3 273.380 2.091 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H](C(=O)N(C)C)C2)cc1 ZINC000414497401 394744905 /nfs/dbraw/zinc/74/49/05/394744905.db2.gz KOAGLNDAHKTXSJ-OAHLLOKOSA-N 0 3 288.391 2.162 20 30 CEEDHN C[C@H]1[C@H](C)N(CC#Cc2ccc(F)cc2)CCN1C ZINC000334450958 394686382 /nfs/dbraw/zinc/68/63/82/394686382.db2.gz UIWREYZTTLNDCL-KBPBESRZSA-N 0 3 260.356 2.202 20 30 CEEDHN CC(C#N)C(=O)N1CCc2c([nH]c3ccccc32)C1 ZINC000334466857 394687891 /nfs/dbraw/zinc/68/78/91/394687891.db2.gz DRAKDOGHXPIEEC-SNVBAGLBSA-N 0 3 253.305 2.212 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCN(C)[C@@H](C)[C@H]1C ZINC000357038027 394689260 /nfs/dbraw/zinc/68/92/60/394689260.db2.gz MHLPFZNEYRKEBT-QWHCGFSZSA-N 0 3 273.380 2.091 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000334511043 394694259 /nfs/dbraw/zinc/69/42/59/394694259.db2.gz DZYKGMSFDQUSNU-INIZCTEOSA-N 0 3 279.428 2.326 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCCc3cn[nH]c32)c1 ZINC000268859625 394701041 /nfs/dbraw/zinc/70/10/41/394701041.db2.gz RSKNLMPAFOYVQJ-AWEZNQCLSA-N 0 3 252.321 2.449 20 30 CEEDHN C[C@H](NCCc1cn(C)cn1)c1ccc(C#N)c(F)c1 ZINC000414127135 394710475 /nfs/dbraw/zinc/71/04/75/394710475.db2.gz PPEYSGFAURKWAH-NSHDSACASA-N 0 3 272.327 2.324 20 30 CEEDHN C[C@@H](NCCc1cn(C)cn1)c1ccc(C#N)cc1F ZINC000414129881 394711587 /nfs/dbraw/zinc/71/15/87/394711587.db2.gz VYJRBYMTYPQFKA-LLVKDONJSA-N 0 3 272.327 2.324 20 30 CEEDHN N#CCc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1 ZINC000270236986 394728729 /nfs/dbraw/zinc/72/87/29/394728729.db2.gz BPQCJDIMJFXVQJ-KRWDZBQOSA-N 0 3 297.402 2.453 20 30 CEEDHN COc1ccc(CNCC[C@H](C)O)cc1OCCCC#N ZINC000114770864 394752434 /nfs/dbraw/zinc/75/24/34/394752434.db2.gz JAJKEJPCVLQXMC-ZDUSSCGKSA-N 0 3 292.379 2.238 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000335315749 394758384 /nfs/dbraw/zinc/75/83/84/394758384.db2.gz WHYRQBCIXZEVHB-DZGCQCFKSA-N 0 3 250.386 2.143 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CC2(OC)CCC2)CC1 ZINC000359614701 394764789 /nfs/dbraw/zinc/76/47/89/394764789.db2.gz BSFZYFOMUUGZRQ-UHFFFAOYSA-N 0 3 280.412 2.102 20 30 CEEDHN CC(C)(C#N)CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000359641512 394768284 /nfs/dbraw/zinc/76/82/84/394768284.db2.gz WUUYZKRKVKLQKC-CYBMUJFWSA-N 0 3 263.385 2.059 20 30 CEEDHN CC(C)(C#N)CCN1CCCN(c2ncccc2C#N)CC1 ZINC000119900769 394772836 /nfs/dbraw/zinc/77/28/36/394772836.db2.gz DXMUGMBSMOJONS-UHFFFAOYSA-N 0 3 297.406 2.405 20 30 CEEDHN C=CCNC(=O)C(C#N)c1nccc2ccccc21 ZINC000359925610 394780563 /nfs/dbraw/zinc/78/05/63/394780563.db2.gz SADUZMYBZQORGT-CYBMUJFWSA-N 0 3 251.289 2.144 20 30 CEEDHN CC#CCCN1C[C@@H](CC)N(C(C)=O)C[C@H]1CC ZINC000360437887 394801324 /nfs/dbraw/zinc/80/13/24/394801324.db2.gz ORMWHURDWYSCJW-HUUCEWRRSA-N 0 3 250.386 2.121 20 30 CEEDHN Cc1ccc(OC(F)F)c(CNC(=O)C(C)C#N)c1 ZINC000362558449 394864394 /nfs/dbraw/zinc/86/43/94/394864394.db2.gz SLEAGYNRNMIYHX-VIFPVBQESA-N 0 3 268.263 2.372 20 30 CEEDHN C[C@H](c1ccccc1)N(CCCCC#N)CC(N)=O ZINC000123700099 394831066 /nfs/dbraw/zinc/83/10/66/394831066.db2.gz XPCTZHDQWHOONC-CYBMUJFWSA-N 0 3 259.353 2.229 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC[C@H](Cc2ccccc2)C1 ZINC000124112073 394836467 /nfs/dbraw/zinc/83/64/67/394836467.db2.gz JBWOLPOCPQNFDZ-QGZVFWFLSA-N 0 3 299.418 2.313 20 30 CEEDHN COC[C@H](N[C@H](C)c1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000278902026 394838328 /nfs/dbraw/zinc/83/83/28/394838328.db2.gz YOQTZIVWCGTDFP-KCXAZCMYSA-N 0 3 274.364 2.403 20 30 CEEDHN C=CCC[C@H](O)CN1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000362244680 394850788 /nfs/dbraw/zinc/85/07/88/394850788.db2.gz DIBQJGVOEHDPPZ-KBPBESRZSA-N 0 3 283.412 2.367 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@@H]2CCc3ccccc3C2)C1=O ZINC000282039506 394900610 /nfs/dbraw/zinc/90/06/10/394900610.db2.gz QVBROCYCJFYAMY-SJORKVTESA-N 0 3 284.403 2.263 20 30 CEEDHN CCN1CCC[C@H]1CN(C)C(=O)c1cccc(C#N)c1C ZINC000337871877 394901668 /nfs/dbraw/zinc/90/16/68/394901668.db2.gz ROTHGHGQURJRCP-HNNXBMFYSA-N 0 3 285.391 2.423 20 30 CEEDHN Cn1cc(CN[C@@]2(CO)CCCc3ccccc32)cc1C#N ZINC000282049096 394902782 /nfs/dbraw/zinc/90/27/82/394902782.db2.gz AZGCYEHNFMNUAF-GOSISDBHSA-N 0 3 295.386 2.210 20 30 CEEDHN Cn1cc(CN[C@H]2CCCN(c3ccccn3)C2)cc1C#N ZINC000364470512 394907732 /nfs/dbraw/zinc/90/77/32/394907732.db2.gz CMTTWWPCGAQCLW-HNNXBMFYSA-N 0 3 295.390 2.050 20 30 CEEDHN C=CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000285213038 394954501 /nfs/dbraw/zinc/95/45/01/394954501.db2.gz WULHSEUMWAOWAT-JSGCOSHPSA-N 0 3 261.369 2.163 20 30 CEEDHN C=CCn1c(C)nnc1N1CCN(C2CCCCC2)CC1 ZINC000282294080 394916224 /nfs/dbraw/zinc/91/62/24/394916224.db2.gz OBXKRFQACKXJHW-UHFFFAOYSA-N 0 3 289.427 2.227 20 30 CEEDHN C=C(CC)CN1[C@@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000338380050 394918329 /nfs/dbraw/zinc/91/83/29/394918329.db2.gz SFTRMNSNUUTWMZ-MQYQWHSLSA-N 0 3 267.369 2.136 20 30 CEEDHN CC[C@H]1CN2CCCC[C@H]2CN1Cc1cc(C#N)n(C)c1 ZINC000365232804 394923570 /nfs/dbraw/zinc/92/35/70/394923570.db2.gz FTQRJXRGUYDWEF-HOTGVXAUSA-N 0 3 286.423 2.345 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000282764143 394923902 /nfs/dbraw/zinc/92/39/02/394923902.db2.gz XBZLZHVQYVDRPC-GXTWGEPZSA-N 0 3 265.401 2.291 20 30 CEEDHN C=CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338615964 394925145 /nfs/dbraw/zinc/92/51/45/394925145.db2.gz XQCLGYNFAIGPMD-CYBMUJFWSA-N 0 3 281.787 2.428 20 30 CEEDHN CN(C)c1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000338646804 394925245 /nfs/dbraw/zinc/92/52/45/394925245.db2.gz IYWPRCKVDHZXSM-ZDUSSCGKSA-N 0 3 266.304 2.033 20 30 CEEDHN N#Cc1ccnc(C(=O)N2CCCN(C3CCCC3)CC2)c1 ZINC000282969085 394926822 /nfs/dbraw/zinc/92/68/22/394926822.db2.gz GFMNVIZUARLRKA-UHFFFAOYSA-N 0 3 298.390 2.044 20 30 CEEDHN C#CCN(CC)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283306835 394932892 /nfs/dbraw/zinc/93/28/92/394932892.db2.gz YUJPCKOTXWGKHB-HNNXBMFYSA-N 0 3 270.376 2.104 20 30 CEEDHN C=CCOCCN[C@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000339044100 394938191 /nfs/dbraw/zinc/93/81/91/394938191.db2.gz KUGBQWJDCMCKBY-ZFWWWQNUSA-N 0 3 277.364 2.329 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@H](C)c1c(C)cc(C)cc1O ZINC000285447832 394957405 /nfs/dbraw/zinc/95/74/05/394957405.db2.gz ZJMNYUVLPOILAX-CYBMUJFWSA-N 0 3 297.420 2.260 20 30 CEEDHN C=CCOc1ccc(CNC[C@@]2(O)CCOC2)cc1Cl ZINC000339059530 394939844 /nfs/dbraw/zinc/93/98/44/394939844.db2.gz UVCXLZPSSFEHGD-HNNXBMFYSA-N 0 3 297.782 2.146 20 30 CEEDHN C#CCCCC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000284353854 394942882 /nfs/dbraw/zinc/94/28/82/394942882.db2.gz NLFPKXOHIVHCQK-MRXNPFEDSA-N 0 3 288.391 2.218 20 30 CEEDHN CCC[C@@H](C)N(C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000339099623 394943255 /nfs/dbraw/zinc/94/32/55/394943255.db2.gz WINLSCXJGBLHLS-QWHCGFSZSA-N 0 3 253.390 2.115 20 30 CEEDHN C=CCCOCCNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416177533 395027499 /nfs/dbraw/zinc/02/74/99/395027499.db2.gz ILDFXQNBLBHDLG-MRXNPFEDSA-N 0 3 290.407 2.388 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H]1CCC[C@H]1CCO ZINC000285959011 394991073 /nfs/dbraw/zinc/99/10/73/394991073.db2.gz DFTXZHLTRWUAIZ-DZGCQCFKSA-N 0 3 274.364 2.208 20 30 CEEDHN C#CC(C)(C)N(C)CCC(=O)N1CCc2ccccc2C1 ZINC000286041725 395005453 /nfs/dbraw/zinc/00/54/53/395005453.db2.gz IISRNONKNYLRMB-UHFFFAOYSA-N 0 3 284.403 2.305 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2ccnc(OC(F)F)c2)C1 ZINC000342805447 395022593 /nfs/dbraw/zinc/02/25/93/395022593.db2.gz GYQMYXMBWSZLQN-ONGXEEELSA-N 0 3 267.279 2.465 20 30 CEEDHN N#Cc1ccncc1N1CC[C@H](N2CCCCC2)C1 ZINC000135606965 394966845 /nfs/dbraw/zinc/96/68/45/394966845.db2.gz GDUDDFLEPIVWLX-AWEZNQCLSA-N 0 3 256.353 2.018 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H](CC2CC2)C1 ZINC000339680436 394967492 /nfs/dbraw/zinc/96/74/92/394967492.db2.gz VDWJOPQNDKKRJQ-ZBFHGGJFSA-N 0 3 277.412 2.163 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccco1)Cc1cccnc1 ZINC000339766758 394970717 /nfs/dbraw/zinc/97/07/17/394970717.db2.gz LOLAJFYHGFSFLQ-LBPRGKRZSA-N 0 3 269.304 2.363 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC(F)C1)C(C)C ZINC000345479816 395067492 /nfs/dbraw/zinc/06/74/92/395067492.db2.gz NLWKVMWYGFCIPJ-AWEZNQCLSA-N 0 3 283.391 2.048 20 30 CEEDHN C#C[C@H](C)N[C@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000289079082 395070494 /nfs/dbraw/zinc/07/04/94/395070494.db2.gz ASBSNAYVKNKKAK-NWDGAFQWSA-N 0 3 290.363 2.032 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)[C@@H](N)CC(F)F ZINC000345708617 395073414 /nfs/dbraw/zinc/07/34/14/395073414.db2.gz JMYRUVVWXCMCAN-ZDUSSCGKSA-N 0 3 282.334 2.226 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000374265607 395077973 /nfs/dbraw/zinc/07/79/73/395077973.db2.gz NUWCYTUGVYMDBN-QAPCUYQASA-N 0 3 299.418 2.220 20 30 CEEDHN C#C[C@H](NCc1cnc2c(c1)c(C)nn2C)C(C)C ZINC000289630657 395081934 /nfs/dbraw/zinc/08/19/34/395081934.db2.gz WXJJUUFDFVXVAQ-AWEZNQCLSA-N 0 3 256.353 2.024 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000289848910 395089111 /nfs/dbraw/zinc/08/91/11/395089111.db2.gz QIMDZPRCMPJGER-JSGCOSHPSA-N 0 3 291.395 2.414 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(OC)c(Br)c1 ZINC000289924740 395091638 /nfs/dbraw/zinc/09/16/38/395091638.db2.gz SOFZCLOWAVUNEQ-SNVBAGLBSA-N 0 3 286.169 2.094 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000289940940 395091855 /nfs/dbraw/zinc/09/18/55/395091855.db2.gz VXGODFRJAWZYRL-RYUDHWBXSA-N 0 3 265.353 2.210 20 30 CEEDHN CC[C@](C)(NC(=O)C(C)C#N)c1nc(C)cs1 ZINC000346360777 395096075 /nfs/dbraw/zinc/09/60/75/395096075.db2.gz BVCHYIXQHGZANZ-UFBFGSQYSA-N 0 3 251.355 2.353 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C/c2cncc(F)c2)CC1 ZINC000171716073 395097489 /nfs/dbraw/zinc/09/74/89/395097489.db2.gz VQWIWZAZUNOJGG-ONEGZZNKSA-N 0 3 289.354 2.001 20 30 CEEDHN CC(C)[C@@H](CO)NCC#Cc1ccccc1Cl ZINC000156396397 395032225 /nfs/dbraw/zinc/03/22/25/395032225.db2.gz MACVRQXLRLTHQA-CQSZACIVSA-N 0 3 251.757 2.298 20 30 CEEDHN C=CCCCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000372117955 395035477 /nfs/dbraw/zinc/03/54/77/395035477.db2.gz YOTPRTDNCWJXHI-UHFFFAOYSA-N 0 3 294.439 2.494 20 30 CEEDHN C=CCC[C@H](CO)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416245610 395036935 /nfs/dbraw/zinc/03/69/35/395036935.db2.gz LAIOUQKXWPZCTK-HZPDHXFCSA-N 0 3 290.407 2.123 20 30 CEEDHN C[C@@H]1C[C@H](Nc2c(C#N)cccc2C#N)CCN1C ZINC000436386619 395113129 /nfs/dbraw/zinc/11/31/29/395113129.db2.gz JFDIDCSQHWZMPC-BXUZGUMPSA-N 0 3 254.337 2.325 20 30 CEEDHN C=CCOCCCC(=O)Nc1cccc2c1CNCC2 ZINC000375933431 395104121 /nfs/dbraw/zinc/10/41/21/395104121.db2.gz JTPGZRCFFVHPMJ-UHFFFAOYSA-N 0 3 274.364 2.254 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC2(COC(=O)N2)CC1 ZINC000495033438 395149567 /nfs/dbraw/zinc/14/95/67/395149567.db2.gz WGOVENCCFUKPIC-LBPRGKRZSA-N 0 3 285.347 2.194 20 30 CEEDHN CC(C)N(CCOc1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000291680127 395151334 /nfs/dbraw/zinc/15/13/34/395151334.db2.gz GVVLQRWWTBKERR-OAHLLOKOSA-N 0 3 274.364 2.436 20 30 CEEDHN C=CCCCCNC(=O)NCCN1CCC[C@H](C)C1 ZINC000351735382 395231952 /nfs/dbraw/zinc/23/19/52/395231952.db2.gz AQFRIHJQRHCIKE-AWEZNQCLSA-N 0 3 267.417 2.374 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000351877748 395239442 /nfs/dbraw/zinc/23/94/42/395239442.db2.gz GYHNAGMPYUZURN-VHSXEESVSA-N 0 3 270.292 2.073 20 30 CEEDHN N#Cc1ccc(Cn2cc3c(n2)[C@H](N)CCC3)cc1 ZINC000517230743 395188396 /nfs/dbraw/zinc/18/83/96/395188396.db2.gz TXALWVVLZVCCOK-CQSZACIVSA-N 0 3 252.321 2.139 20 30 CEEDHN CN(CCC#N)C(=O)CCNC(C)(C)c1cccc(F)c1 ZINC000179580233 395197031 /nfs/dbraw/zinc/19/70/31/395197031.db2.gz ACIJKEWFTBQRQS-UHFFFAOYSA-N 0 3 291.370 2.413 20 30 CEEDHN C=CCN1CCC(NC(=O)c2c[nH]nc2C(C)(C)C)CC1 ZINC000293013731 395214563 /nfs/dbraw/zinc/21/45/63/395214563.db2.gz HGWGGOSATFPLAQ-UHFFFAOYSA-N 0 3 290.411 2.087 20 30 CEEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)NCC(C)(C)C#N ZINC000352995976 395282783 /nfs/dbraw/zinc/28/27/83/395282783.db2.gz DKGLHBJJBBTTJK-STQMWFEESA-N 0 3 280.416 2.098 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCC(C)(C)C#N ZINC000352995974 395282888 /nfs/dbraw/zinc/28/28/88/395282888.db2.gz DKGLHBJJBBTTJK-CHWSQXEVSA-N 0 3 280.416 2.098 20 30 CEEDHN CNC(=O)CC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000186247883 395289337 /nfs/dbraw/zinc/28/93/37/395289337.db2.gz HGFJNKZCNFZSSC-UHFFFAOYSA-N 0 3 285.391 2.215 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC(C)(CO)CC1 ZINC000186331775 395290808 /nfs/dbraw/zinc/29/08/08/395290808.db2.gz HRYMIAKGQYYYDU-UHFFFAOYSA-N 0 3 258.365 2.461 20 30 CEEDHN C=CCN(Cc1ccc2c(c1)oc(=O)n2C)C1CC1 ZINC000352886437 395274064 /nfs/dbraw/zinc/27/40/64/395274064.db2.gz HCFWMJBCHKUZPE-UHFFFAOYSA-N 0 3 258.321 2.282 20 30 CEEDHN CN(C)C1(CN(C)C(=O)Cc2cccc(C#N)c2)CCC1 ZINC000526121845 395276018 /nfs/dbraw/zinc/27/60/18/395276018.db2.gz MXNZNNHATTUNIV-UHFFFAOYSA-N 0 3 285.391 2.043 20 30 CEEDHN N#Cc1cccnc1OC1CCC(NCc2ncc[nH]2)CC1 ZINC000526083483 395276364 /nfs/dbraw/zinc/27/63/64/395276364.db2.gz IOHHVGIHQRZSEO-UHFFFAOYSA-N 0 3 297.362 2.156 20 30 CEEDHN C=C(C)COCCNC(=O)N(CCC)CCN1CCCC1 ZINC000354345648 395328673 /nfs/dbraw/zinc/32/86/73/395328673.db2.gz OJZJJNNPLDJYPQ-UHFFFAOYSA-N 0 3 297.443 2.097 20 30 CEEDHN CC1(C)CC[C@H](CNCc2cnc3ccc(C#N)cn23)O1 ZINC000189728889 395331728 /nfs/dbraw/zinc/33/17/28/395331728.db2.gz SKZHOOIDQOBIIO-CQSZACIVSA-N 0 3 284.363 2.253 20 30 CEEDHN C[C@H](CCC#N)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000411654696 395335990 /nfs/dbraw/zinc/33/59/90/395335990.db2.gz HQBAETAPMMDWCW-LLVKDONJSA-N 0 3 277.328 2.120 20 30 CEEDHN CN(C)C(=O)[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000411936247 395342743 /nfs/dbraw/zinc/34/27/43/395342743.db2.gz FKLXSHQOUKPZSA-AWEZNQCLSA-N 0 3 290.794 2.102 20 30 CEEDHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc(C#N)[nH]1 ZINC000533099187 395461243 /nfs/dbraw/zinc/46/12/43/395461243.db2.gz LVRINTWIMHKYBH-UHFFFAOYSA-N 0 3 298.346 2.209 20 30 CEEDHN CC1(C)CCCN(CCNc2ncccc2C#N)C1 ZINC000443965442 395406379 /nfs/dbraw/zinc/40/63/79/395406379.db2.gz RXTKOCGHGDOCPU-UHFFFAOYSA-N 0 3 258.369 2.487 20 30 CEEDHN CC(C)[C@H]1CN(C)CCN1Cc1ccc(C#N)cc1F ZINC000355374368 395427176 /nfs/dbraw/zinc/42/71/76/395427176.db2.gz VWVDNODQBMGVIK-MRXNPFEDSA-N 0 3 275.371 2.469 20 30 CEEDHN COC[C@H]1CCCN(Cc2ccc(C#N)cn2)CC1 ZINC000566428128 395522641 /nfs/dbraw/zinc/52/26/41/395522641.db2.gz BTAGJYVLBWRXLN-ZDUSSCGKSA-N 0 3 259.353 2.202 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000448785047 395539278 /nfs/dbraw/zinc/53/92/78/395539278.db2.gz YGEALOPNNGYUJB-NEPJUHHUSA-N 0 3 288.395 2.045 20 30 CEEDHN CC(=O)NCC[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000565591416 395477219 /nfs/dbraw/zinc/47/72/19/395477219.db2.gz MHOGSOGPVDEKFS-ZDUSSCGKSA-N 0 3 291.420 2.358 20 30 CEEDHN CCOC(=O)[C@@H]1CC[C@H](NCC2(C#N)CC2)C[C@@H]1C ZINC000573661726 395613939 /nfs/dbraw/zinc/61/39/39/395613939.db2.gz DFWZUBXBISCNPT-RWMBFGLXSA-N 0 3 264.369 2.248 20 30 CEEDHN C=CCCCCCNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000568188794 395550463 /nfs/dbraw/zinc/55/04/63/395550463.db2.gz RUOPIOQMFDMQIB-HUUCEWRRSA-N 0 3 279.428 2.468 20 30 CEEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1cc(C#N)cs1 ZINC000449576571 395555375 /nfs/dbraw/zinc/55/53/75/395555375.db2.gz BDTHBQVQILUGES-OLZOCXBDSA-N 0 3 278.377 2.441 20 30 CEEDHN CCC[C@H]1CN(CC2(C#N)CCC2)CCN1CCOC ZINC000450646481 395573396 /nfs/dbraw/zinc/57/33/96/395573396.db2.gz VZOBOFBSNLSJBR-HNNXBMFYSA-N 0 3 279.428 2.113 20 30 CEEDHN CCN(Cc1ccc(CN(C)C)cc1)c1cc(C#N)ncn1 ZINC000569183297 395574169 /nfs/dbraw/zinc/57/41/69/395574169.db2.gz KTKBNADYUTUJER-UHFFFAOYSA-N 0 3 295.390 2.436 20 30 CEEDHN O[C@H](CNCC#Cc1cccc(F)c1)CC(F)(F)F ZINC000571910674 395585088 /nfs/dbraw/zinc/58/50/88/395585088.db2.gz QPCAIVJSOBFYRC-LBPRGKRZSA-N 0 3 275.245 2.080 20 30 CEEDHN C=C(C)CN1CCC(Nc2cc(COC)ncn2)CC1 ZINC000573950718 395622407 /nfs/dbraw/zinc/62/24/07/395622407.db2.gz ZBQGKZXAMRGVSF-UHFFFAOYSA-N 0 3 276.384 2.075 20 30 CEEDHN CC1(C)C[C@H](CNCc2nc(C#N)cs2)CCO1 ZINC000453576686 395628266 /nfs/dbraw/zinc/62/82/66/395628266.db2.gz GPGGMDSFMLGOPI-SNVBAGLBSA-N 0 3 265.382 2.310 20 30 CEEDHN CC1(C)CCCN1CCNC(=O)c1ccc(C#N)cc1 ZINC000457071727 395634669 /nfs/dbraw/zinc/63/46/69/395634669.db2.gz IDZKANNVAGYMND-UHFFFAOYSA-N 0 3 271.364 2.162 20 30 CEEDHN CCc1nc(C#N)cc(NCCN2[C@H](C)CCC[C@H]2C)n1 ZINC000596120077 395666560 /nfs/dbraw/zinc/66/65/60/395666560.db2.gz HHFAQPPVOLVUFJ-CHWSQXEVSA-N 0 3 287.411 2.007 20 30 CEEDHN C[C@@H]1C[C@@H]1N1CCN(c2cccnc2C#N)C[C@@H](C)C1 ZINC000488733873 395668423 /nfs/dbraw/zinc/66/84/23/395668423.db2.gz PTPVTAMQFAXXNY-IOASZLSFSA-N 0 3 270.380 2.120 20 30 CEEDHN COCCN(Cc1cccc(C#N)c1)[C@H]1CCO[C@@H]1C ZINC000489442800 395668441 /nfs/dbraw/zinc/66/84/41/395668441.db2.gz WPEMOODZOOFCHY-CJNGLKHVSA-N 0 3 274.364 2.184 20 30 CEEDHN C=CCOc1ccc(CN(C)C[C@H]2COCCO2)cc1 ZINC000649224970 396094809 /nfs/dbraw/zinc/09/48/09/396094809.db2.gz JGGSZTBHYMCFHU-INIZCTEOSA-N 0 3 277.364 2.099 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(CC(=O)NC2CCCC2)CC1 ZINC000649255766 396103897 /nfs/dbraw/zinc/10/38/97/396103897.db2.gz APCZZXTWMHLOAW-INIZCTEOSA-N 0 3 294.439 2.084 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(F)(c2ccccn2)CC1 ZINC000649562240 396189742 /nfs/dbraw/zinc/18/97/42/396189742.db2.gz GIZXMIXTODRSGB-ZDUSSCGKSA-N 0 3 264.344 2.279 20 30 CEEDHN N#Cc1ccc(CN[C@@H](CO)CC2CCC2)cc1F ZINC000421406013 400573089 /nfs/dbraw/zinc/57/30/89/400573089.db2.gz ZOWVZMQZIAVYHP-CQSZACIVSA-N 0 3 262.328 2.338 20 30 CEEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000488978063 400586839 /nfs/dbraw/zinc/58/68/39/400586839.db2.gz KACCMKMXZBWJRE-CZUORRHYSA-N 0 3 286.375 2.498 20 30 CEEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000491677009 400594576 /nfs/dbraw/zinc/59/45/76/400594576.db2.gz PSITYLTZXHQZRJ-SNVBAGLBSA-N 0 3 266.291 2.247 20 30 CEEDHN C=CCCOCC(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000650580883 400957349 /nfs/dbraw/zinc/95/73/49/400957349.db2.gz LKXQHNPPVPMJAE-HNNXBMFYSA-N 0 3 282.428 2.206 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@@]3(CC3(F)F)C2)CC1 ZINC000650852756 401192703 /nfs/dbraw/zinc/19/27/03/401192703.db2.gz PUOJJIHHTJUMIH-CQSZACIVSA-N 0 3 299.365 2.078 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC23CCCC3)CC1 ZINC000650852490 401192953 /nfs/dbraw/zinc/19/29/53/401192953.db2.gz GLOJVFOJGFLJLG-UHFFFAOYSA-N 0 3 277.412 2.365 20 30 CEEDHN C[C@H](C(=O)N(C)CC1CCN(C)CC1)c1cccc(C#N)c1 ZINC000360156579 155231018 /nfs/dbraw/zinc/23/10/18/155231018.db2.gz QOWUIZRHTZWBAN-AWEZNQCLSA-N 0 3 299.418 2.462 20 30 CEEDHN Cn1cc(CNCc2ccc(-n3cccn3)cc2)cc1C#N ZINC000190770719 153144260 /nfs/dbraw/zinc/14/42/60/153144260.db2.gz MCSWNIKGMQKPOR-UHFFFAOYSA-N 0 3 291.358 2.372 20 30 CEEDHN C[C@@H](O)C[C@H]1CCCN1Cc1ccc(C#N)c(F)c1 ZINC000192126677 153201745 /nfs/dbraw/zinc/20/17/45/153201745.db2.gz YFKYQIIWKVNDMI-BXUZGUMPSA-N 0 3 262.328 2.433 20 30 CEEDHN Cn1cc(CNCCSCC(F)(F)F)cc1C#N ZINC000359699551 155113806 /nfs/dbraw/zinc/11/38/06/155113806.db2.gz JHFNPRSZLBQXEL-UHFFFAOYSA-N 0 3 277.315 2.282 20 30 CEEDHN COc1ccc(CN2CC[C@](CO)(C(C)C)C2)cc1C#N ZINC000368071265 156278577 /nfs/dbraw/zinc/27/85/77/156278577.db2.gz UEASZJBJHQWIBJ-KRWDZBQOSA-N 0 3 288.391 2.407 20 30 CEEDHN Cc1c[nH]nc1CN[C@H]1CCCN(c2ccccc2C#N)C1 ZINC000368083027 156286029 /nfs/dbraw/zinc/28/60/29/156286029.db2.gz IBLCKNXOFJXILP-HNNXBMFYSA-N 0 3 295.390 2.348 20 30 CEEDHN COC[C@@H]1CCCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000368662237 156387805 /nfs/dbraw/zinc/38/78/05/156387805.db2.gz ZFELLJGIIMCPDP-OAHLLOKOSA-N 0 3 298.390 2.454 20 30 CEEDHN CN1CC[C@H]2CCN(C(=O)/C=C/c3cccc(C#N)c3)[C@@H]2C1 ZINC000374896476 157028600 /nfs/dbraw/zinc/02/86/00/157028600.db2.gz OIYZTYVWVIRSFY-LZCSOBMZSA-N 0 3 295.386 2.124 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)NCCN1CCCC[C@@H]1C ZINC000161702762 162330149 /nfs/dbraw/zinc/33/01/49/162330149.db2.gz BEBDIYJSRMMBJU-AWEZNQCLSA-N 0 3 285.391 2.471 20 30 CEEDHN CC(C)[C@@H]1CN(C)CCN1Cc1cccc(C#N)c1 ZINC000174700038 165116482 /nfs/dbraw/zinc/11/64/82/165116482.db2.gz CCOMQHCRVDXANE-INIZCTEOSA-N 0 3 257.381 2.330 20 30 CEEDHN CC1(C2(NCc3cnc4c(C#N)cnn4c3)CC2)CC1 ZINC000563148916 298742696 /nfs/dbraw/zinc/74/26/96/298742696.db2.gz CMGNZMMYDDAUMN-UHFFFAOYSA-N 0 3 267.336 2.023 20 30 CEEDHN CC(C)c1ccc(CNCCn2cnc(C#N)n2)cc1 ZINC000285384172 196266866 /nfs/dbraw/zinc/26/68/66/196266866.db2.gz DAMCITANAHVSSB-UHFFFAOYSA-N 0 3 269.352 2.063 20 30 CEEDHN C=CC[C@@]1(C(=O)Nc2cc(F)ccc2[O-])CCC[NH2+]1 ZINC000662823778 414760101 /nfs/dbraw/zinc/76/01/01/414760101.db2.gz WRIMMIUXZCKJNQ-AWEZNQCLSA-N 0 3 264.300 2.168 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H]3C[C@H]3C2)CC1 ZINC000660598417 414892079 /nfs/dbraw/zinc/89/20/79/414892079.db2.gz YRSQXMDTPGGXPL-KBPBESRZSA-N 0 3 277.412 2.078 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@@H](F)[C@H](N)C1 ZINC000663505648 414975064 /nfs/dbraw/zinc/97/50/64/414975064.db2.gz CRVSMGGBLCKXGS-ZIAGYGMSSA-N 0 3 264.344 2.123 20 30 CEEDHN C=CCN(C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CC1 ZINC000654731092 415020788 /nfs/dbraw/zinc/02/07/88/415020788.db2.gz BWIQFRJEJYAPPM-GJZGRUSLSA-N 0 3 277.412 2.363 20 30 CEEDHN C=CCCNCc1cc2c(cc1OCCOC)OCO2 ZINC000657582898 415010429 /nfs/dbraw/zinc/01/04/29/415010429.db2.gz LYGSUVWVMTUYED-UHFFFAOYSA-N 0 3 279.336 2.106 20 30 CEEDHN C=CCCn1cc(CN2CCC[C@H]2C2CCOCC2)nn1 ZINC000653609592 415053949 /nfs/dbraw/zinc/05/39/49/415053949.db2.gz VVKDTADGMHYRHW-INIZCTEOSA-N 0 3 290.411 2.245 20 30 CEEDHN C=CCCN(C)C[C@H]1CN(c2ccccc2)CCO1 ZINC000653636107 415061759 /nfs/dbraw/zinc/06/17/59/415061759.db2.gz RAWBKSRFLKTGNN-INIZCTEOSA-N 0 3 260.381 2.400 20 30 CEEDHN C=CCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000661028492 415071017 /nfs/dbraw/zinc/07/10/17/415071017.db2.gz NNBHULZEXWVXJX-GDBMZVCRSA-N 0 3 287.407 2.382 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)CN1CC[C@H](C)C1 ZINC000654771011 415028611 /nfs/dbraw/zinc/02/86/11/415028611.db2.gz KYIRZWQNFJCXQB-AWEZNQCLSA-N 0 3 288.391 2.209 20 30 CEEDHN C=CCOCCCNCc1c(C)nc2sc(C)nn12 ZINC000657658050 415038632 /nfs/dbraw/zinc/03/86/32/415038632.db2.gz KGQKAIYKGDXPPU-UHFFFAOYSA-N 0 3 280.397 2.090 20 30 CEEDHN C=CCOCCCNCc1cnc(C(C)(C)C)nc1 ZINC000657658853 415039902 /nfs/dbraw/zinc/03/99/02/415039902.db2.gz HJONNRHKGWIVHP-UHFFFAOYSA-N 0 3 263.385 2.456 20 30 CEEDHN OC[C@H](NCC#Cc1ccccc1Cl)C1CCC1 ZINC000661151806 415113625 /nfs/dbraw/zinc/11/36/25/415113625.db2.gz OFINNAPWGTZSHX-HNNXBMFYSA-N 0 3 263.768 2.442 20 30 CEEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)NC[C@H](C)N(C)C ZINC000661275754 415174014 /nfs/dbraw/zinc/17/40/14/415174014.db2.gz ROLKLGDUULBDIY-IHRRRGAJSA-N 0 3 267.417 2.371 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCN(C3CC3)C2)c(F)c1 ZINC000044722889 175237596 /nfs/dbraw/zinc/23/75/96/175237596.db2.gz XCJYYPXBCAMGCA-ZDUSSCGKSA-N 0 3 259.328 2.024 20 30 CEEDHN CCCNC(=O)CCN[C@@H](C)c1cccc(C#N)c1 ZINC000045072894 175302531 /nfs/dbraw/zinc/30/25/31/175302531.db2.gz ZXGOWPFJIYZXOO-LBPRGKRZSA-N 0 3 259.353 2.125 20 30 CEEDHN C=CCCOCC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000655375132 415224908 /nfs/dbraw/zinc/22/49/08/415224908.db2.gz UJQGAODJMGWJAG-UHFFFAOYSA-N 0 3 296.436 2.231 20 30 CEEDHN O[C@]1(C2CC2)CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000661624083 415365404 /nfs/dbraw/zinc/36/54/04/415365404.db2.gz CDZMEQZSSFHAAO-QGZVFWFLSA-N 0 3 273.351 2.414 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N[C@H](C)CC ZINC000662080709 415615788 /nfs/dbraw/zinc/61/57/88/415615788.db2.gz QEJVTQVJSGDGQR-RQJABVFESA-N 0 3 250.386 2.473 20 30 CEEDHN C=C(C)[C@H](CO)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000665191337 415617187 /nfs/dbraw/zinc/61/71/87/415617187.db2.gz LOKUQDLDBMMDKY-WBVHZDCISA-N 0 3 274.408 2.130 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC(c2ccon2)CC1 ZINC000662047710 415599170 /nfs/dbraw/zinc/59/91/70/415599170.db2.gz NQYNUQGWQPCMIA-CYBMUJFWSA-N 0 3 250.342 2.181 20 30 CEEDHN C=CCN(CC=C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000665556933 415777269 /nfs/dbraw/zinc/77/72/69/415777269.db2.gz HSOSEBRGYTXJPP-ZDUSSCGKSA-N 0 3 265.401 2.243 20 30 CEEDHN CCC#C[C@@H](C)N1CCC(O[C@H]2CCOC2)CC1 ZINC000656860542 415891509 /nfs/dbraw/zinc/89/15/09/415891509.db2.gz JKFUACHRHKHDBK-HIFRSBDPSA-N 0 3 251.370 2.058 20 30 CEEDHN C=CCN(CCc1ccco1)CCN1C[C@H](C)O[C@@H](C)C1 ZINC000660224048 415930725 /nfs/dbraw/zinc/93/07/25/415930725.db2.gz HPCQIEZFXKAHNH-HOTGVXAUSA-N 0 3 292.423 2.419 20 30 CEEDHN CC[C@H]1CCCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000076425676 177023815 /nfs/dbraw/zinc/02/38/15/177023815.db2.gz VASFMSRUSNOZJZ-KBPBESRZSA-N 0 3 265.401 2.259 20 30 CEEDHN C=CCCCN(C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000077593409 177283293 /nfs/dbraw/zinc/28/32/93/177283293.db2.gz GEFUMGOGWLQLGV-GFCCVEGCSA-N 0 3 253.390 2.077 20 30 CEEDHN Cc1nc(COc2ccc(CNCCCC#N)cc2)no1 ZINC000344323208 225046609 /nfs/dbraw/zinc/04/66/09/225046609.db2.gz ICQSQYZFLBMMSY-UHFFFAOYSA-N 0 3 286.335 2.350 20 30 CEEDHN Cc1cccc(CC2(O)CCN(C(=O)C(C)C#N)CC2)c1 ZINC000334619133 225098539 /nfs/dbraw/zinc/09/85/39/225098539.db2.gz OVGHDMZLKVRYHC-AWEZNQCLSA-N 0 3 286.375 2.051 20 30 CEEDHN CC(C#N)C(=O)NCc1ccccc1OC1CCC1 ZINC000347098490 226048660 /nfs/dbraw/zinc/04/86/60/226048660.db2.gz ZGAGJJNCZPNIIP-NSHDSACASA-N 0 3 258.321 2.394 20 30 CEEDHN CN(C)CCSCCCC1(C#N)CCOCC1 ZINC000347770614 226241909 /nfs/dbraw/zinc/24/19/09/226241909.db2.gz BFPPPPZVNITZGP-UHFFFAOYSA-N 0 3 256.415 2.382 20 30 CEEDHN Cc1ncoc1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000329971378 228002934 /nfs/dbraw/zinc/00/29/34/228002934.db2.gz VNCDIZPCBKWYKR-LLVKDONJSA-N 0 3 263.341 2.305 20 30 CEEDHN N#Cc1cc(C(=O)N[C@H]2CCN(C3CCCC3)C2)ccn1 ZINC000330032601 228023043 /nfs/dbraw/zinc/02/30/43/228023043.db2.gz UZBJOKAMGZGQIU-ZDUSSCGKSA-N 0 3 284.363 2.275 20 30 CEEDHN Cc1nn(C)c(C)c1NC(=O)C1CCN(C2CC2)CC1 ZINC000330219940 228070485 /nfs/dbraw/zinc/07/04/85/228070485.db2.gz PUPBLXMJCOIVKJ-UHFFFAOYSA-N 0 3 276.384 2.499 20 30 CEEDHN C[C@H](NCC1(CC#N)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000353589170 228127027 /nfs/dbraw/zinc/12/70/27/228127027.db2.gz PEOPFQUMHXMPRJ-NSHDSACASA-N 0 3 285.347 2.362 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)NCC(C)(C)CCC#N)CCN1C ZINC000353639327 228137062 /nfs/dbraw/zinc/13/70/62/228137062.db2.gz QULMFLSFDBIIMY-QWHCGFSZSA-N 0 3 280.416 2.098 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C3CCC3)C2)CC1 ZINC000665713074 419402452 /nfs/dbraw/zinc/40/24/52/419402452.db2.gz PVNHKBWNLCXFHT-HNNXBMFYSA-N 0 3 291.439 2.468 20 30 CEEDHN C[C@H]1[C@H](Nc2ccnc(C#N)n2)CCN1Cc1ccccc1 ZINC000309970585 419476191 /nfs/dbraw/zinc/47/61/91/419476191.db2.gz NIHXBESSMACMKR-DZGCQCFKSA-N 0 3 293.374 2.423 20 30 CEEDHN C=CCCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000665943662 419484424 /nfs/dbraw/zinc/48/44/24/419484424.db2.gz YWIFBZIQGJCNET-ZDUSSCGKSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CCCNC(=O)N(CCC)CCN1CCCC1 ZINC000665943332 419486425 /nfs/dbraw/zinc/48/64/25/419486425.db2.gz RLAQJXKZYAWPDS-UHFFFAOYSA-N 0 3 253.390 2.080 20 30 CEEDHN CC(C)(C)C1CN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000601956361 419422266 /nfs/dbraw/zinc/42/22/66/419422266.db2.gz AFPRDAFWGLUPQZ-OAHLLOKOSA-N 0 3 288.391 2.276 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)CSC ZINC000187839829 260060297 /nfs/dbraw/zinc/06/02/97/260060297.db2.gz QSTYXMLONNUKJM-CQSZACIVSA-N 0 3 281.421 2.407 20 30 CEEDHN C[C@H](C(=O)N1CCC(C)(C#N)CC1)N1[C@H](C)CC[C@H]1C ZINC000356970309 260120761 /nfs/dbraw/zinc/12/07/61/260120761.db2.gz IDXFJSXCGJGYFW-MGPQQGTHSA-N 0 3 277.412 2.400 20 30 CEEDHN CC#CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000297609513 260130147 /nfs/dbraw/zinc/13/01/47/260130147.db2.gz FGQQXQALJLINHY-WBVHZDCISA-N 0 3 299.418 2.314 20 30 CEEDHN Cn1cc(-c2ncc(CNCC(C)(C)CCC#N)cn2)cn1 ZINC000367962114 260149385 /nfs/dbraw/zinc/14/93/85/260149385.db2.gz KHJPYDRHSBZTPB-UHFFFAOYSA-N 0 3 298.394 2.297 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@H](C)C[C@H](C)C1 ZINC000408017327 260172091 /nfs/dbraw/zinc/17/20/91/260172091.db2.gz MCKGKIXMOMTALC-HLPPOEQASA-N 0 3 279.428 2.407 20 30 CEEDHN C#CCN1CCC(C(=O)NC(C)(C)c2ccccc2)CC1 ZINC000299360975 260184703 /nfs/dbraw/zinc/18/47/03/260184703.db2.gz ROMYTNBOPMNKCJ-UHFFFAOYSA-N 0 3 284.403 2.383 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000426765946 260213970 /nfs/dbraw/zinc/21/39/70/260213970.db2.gz UTXPRXPTZFRJCC-IAGOWNOFSA-N 0 3 297.402 2.296 20 30 CEEDHN CC(C)(C#N)CCN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000119889172 260660774 /nfs/dbraw/zinc/66/07/74/260660774.db2.gz ZGCOFCFVAJMJSE-CYBMUJFWSA-N 0 3 287.411 2.344 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CC[C@@H]2CC[C@H](C)O2)CC1 ZINC000173161155 261157576 /nfs/dbraw/zinc/15/75/76/261157576.db2.gz QGKIVPDDQLGSEZ-HOCLYGCPSA-N 0 3 294.439 2.491 20 30 CEEDHN CC(C)(C#N)CCCN1CCN(CC2CCOCC2)CC1 ZINC000174868414 261201288 /nfs/dbraw/zinc/20/12/88/261201288.db2.gz ZZBAAXXTMWYACI-UHFFFAOYSA-N 0 3 293.455 2.361 20 30 CEEDHN C=CCN1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000490914898 261245197 /nfs/dbraw/zinc/24/51/97/261245197.db2.gz KCEBMBFTICXHFL-LBPRGKRZSA-N 0 3 254.374 2.409 20 30 CEEDHN O[C@@H]1[C@H]2C[C@H]3CN(CC#Cc4ccc(Cl)cc4)[C@H]1[C@H]3C2 ZINC000249616057 261257352 /nfs/dbraw/zinc/25/73/52/261257352.db2.gz SULBJMGEUHWRPN-XPYWIHLFSA-N 0 3 287.790 2.393 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000249921493 261260717 /nfs/dbraw/zinc/26/07/17/261260717.db2.gz YUUJEOAIXSGSSX-UKRRQHHQSA-N 0 3 288.391 2.175 20 30 CEEDHN C[C@H](C#N)Oc1ccccc1NC1CCN(C)CC1 ZINC000162265575 261274644 /nfs/dbraw/zinc/27/46/44/261274644.db2.gz PYMXCUWXRCRPAM-GFCCVEGCSA-N 0 3 259.353 2.484 20 30 CEEDHN CN(C)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cn1 ZINC000361460020 261280243 /nfs/dbraw/zinc/28/02/43/261280243.db2.gz PRRMFFDRMSJASV-OCCSQVGLSA-N 0 3 258.369 2.320 20 30 CEEDHN CC#CCCN1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000497175752 262044472 /nfs/dbraw/zinc/04/44/72/262044472.db2.gz FOMGEBFSBIXVPH-CQSZACIVSA-N 0 3 264.369 2.143 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)CCCOC(C)C)CC1 ZINC000354474523 262263436 /nfs/dbraw/zinc/26/34/36/262263436.db2.gz JBOYXIBAIHLQIB-UHFFFAOYSA-N 0 3 297.443 2.093 20 30 CEEDHN C=CCOCCN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000495795179 262308774 /nfs/dbraw/zinc/30/87/74/262308774.db2.gz XCNRKLSOHZPEHC-STQMWFEESA-N 0 3 284.400 2.177 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000355234733 262356512 /nfs/dbraw/zinc/35/65/12/262356512.db2.gz HYNRDVTZDQSJOS-UKRRQHHQSA-N 0 3 263.385 2.059 20 30 CEEDHN N#CCCCCN1CCC[C@@](O)(C(F)(F)F)C1 ZINC000336689520 262380053 /nfs/dbraw/zinc/38/00/53/262380053.db2.gz HRMSIEGRPYJSGV-JTQLQIEISA-N 0 3 250.264 2.069 20 30 CEEDHN C=CCCN(C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000336786519 262394998 /nfs/dbraw/zinc/39/49/98/262394998.db2.gz IFFKJWUJDRGMND-SNVBAGLBSA-N 0 3 264.291 2.048 20 30 CEEDHN C=CCOCCN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000339029330 262585242 /nfs/dbraw/zinc/58/52/42/262585242.db2.gz OHIZOCANCNDTHS-UHFFFAOYSA-N 0 3 294.439 2.350 20 30 CEEDHN C=CCOCCN1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000339211683 262617802 /nfs/dbraw/zinc/61/78/02/262617802.db2.gz YQFDYGDHZAHJCM-QGZVFWFLSA-N 0 3 289.375 2.006 20 30 CEEDHN CCCC(=O)NC[C@H]1CCCN([C@@H](C)CCC#N)C1 ZINC000411227483 262684649 /nfs/dbraw/zinc/68/46/49/262684649.db2.gz PGIPGRIDBZSQTD-UONOGXRCSA-N 0 3 265.401 2.307 20 30 CEEDHN C=C[C@H](C)N[C@H](C)Cn1cc(Br)ccc1=O ZINC000414117039 262812431 /nfs/dbraw/zinc/81/24/31/262812431.db2.gz ROHHJPRMFINSRG-VHSXEESVSA-N 0 3 285.185 2.163 20 30 CEEDHN CCCC[C@H](ON=C(C)C)C(=O)NCC1=CCN(C)CC1 ZINC000273637924 263018706 /nfs/dbraw/zinc/01/87/06/263018706.db2.gz UCBFKYIYRMSBAX-HNNXBMFYSA-N 0 3 295.427 2.336 20 30 CEEDHN C[C@H](C#N)CN(C)C(=O)Nc1ccccc1CCN(C)C ZINC000275567578 263033549 /nfs/dbraw/zinc/03/35/49/263033549.db2.gz CDBIEDOQDBGMTM-CYBMUJFWSA-N 0 3 288.395 2.414 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000452127897 263038898 /nfs/dbraw/zinc/03/88/98/263038898.db2.gz UHBQCEILGZHUMK-HZSPNIEDSA-N 0 3 264.413 2.387 20 30 CEEDHN CN(C)Cc1c2ccccc2oc1C(=O)N1CC(C)(C#N)C1 ZINC000280435946 263061646 /nfs/dbraw/zinc/06/16/46/263061646.db2.gz JTMMYQUKBCNJMX-UHFFFAOYSA-N 0 3 297.358 2.480 20 30 CEEDHN CC1=CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280783096 263064311 /nfs/dbraw/zinc/06/43/11/263064311.db2.gz PYHBTNVHHAGPQU-INIZCTEOSA-N 0 3 279.343 2.419 20 30 CEEDHN C=C[C@H](C)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000340097360 263069516 /nfs/dbraw/zinc/06/95/16/263069516.db2.gz LCNDVDSIXGDFCH-AEGPPILISA-N 0 3 273.380 2.306 20 30 CEEDHN CN(C(=O)c1ccc(CC#N)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000340147950 263078367 /nfs/dbraw/zinc/07/83/67/263078367.db2.gz NAGXKJQNKKBQRI-MRXNPFEDSA-N 0 3 283.375 2.061 20 30 CEEDHN CN(C)[C@@H](CNC(=O)CCCC#N)c1ccccc1 ZINC000290939853 263119383 /nfs/dbraw/zinc/11/93/83/263119383.db2.gz KPTIITYHXDIXMM-AWEZNQCLSA-N 0 3 259.353 2.099 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)CCCC#N)CN1Cc1ccccc1 ZINC000291926710 263126642 /nfs/dbraw/zinc/12/66/42/263126642.db2.gz NXUSAZUKFSLDFC-HOCLYGCPSA-N 0 3 285.391 2.459 20 30 CEEDHN N#CCCOCCN1CCCN(c2ccccc2)CC1 ZINC000293658130 263146495 /nfs/dbraw/zinc/14/64/95/263146495.db2.gz YKWDLSIVHRNEBT-UHFFFAOYSA-N 0 3 273.380 2.129 20 30 CEEDHN N#CCCOCCN1CCC(c2ccncc2)CC1 ZINC000293942914 263152778 /nfs/dbraw/zinc/15/27/78/263152778.db2.gz BDQYTOSQTKROPE-UHFFFAOYSA-N 0 3 259.353 2.191 20 30 CEEDHN C#CCSCCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294838216 263168104 /nfs/dbraw/zinc/16/81/04/263168104.db2.gz RQEUYPRMUQWNFU-SNVBAGLBSA-N 0 3 279.365 2.194 20 30 CEEDHN CC[C@@H]1CCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000297945726 263212558 /nfs/dbraw/zinc/21/25/58/263212558.db2.gz ULEUVJRQUPTGMF-HUUCEWRRSA-N 0 3 267.332 2.251 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2CCCCS2)CC1 ZINC000341058106 263319938 /nfs/dbraw/zinc/31/99/38/263319938.db2.gz XWZLNMBAPPEJMF-CYBMUJFWSA-N 0 3 268.426 2.039 20 30 CEEDHN CC[C@H](NC(=O)C(C)C#N)c1ccc(OC)c(OC)c1 ZINC000341350144 263332165 /nfs/dbraw/zinc/33/21/65/263332165.db2.gz BGSPSKGJHQFALV-JQWIXIFHSA-N 0 3 276.336 2.431 20 30 CEEDHN C=C[C@@H](C)NC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000341515447 263340761 /nfs/dbraw/zinc/34/07/61/263340761.db2.gz VWUBVPHVYJZKIU-KGLIPLIRSA-N 0 3 275.396 2.381 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ncc(OC)s2)CC1 ZINC000330727461 264026808 /nfs/dbraw/zinc/02/68/08/264026808.db2.gz LYWVHQLPAGLGRE-UHFFFAOYSA-N 0 3 296.396 2.128 20 30 CEEDHN CCc1nnc(C)cc1C(=O)N[C@H]1CCCN(CC)C1 ZINC000330805593 264043493 /nfs/dbraw/zinc/04/34/93/264043493.db2.gz GVINSANZDQSXFW-LBPRGKRZSA-N 0 3 276.384 2.136 20 30 CEEDHN CNC(=O)CC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000330860156 264055590 /nfs/dbraw/zinc/05/55/90/264055590.db2.gz VYHMHTQBBRZBSJ-UHFFFAOYSA-N 0 3 285.391 2.101 20 30 CEEDHN CC(C)C[C@H](CN(C)C)NC(=O)c1csc(=O)[nH]1 ZINC000330995520 264104990 /nfs/dbraw/zinc/10/49/90/264104990.db2.gz UJCGNGRYDOIBKN-SECBINFHSA-N 0 3 271.386 2.130 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)c1cnn(C)c1SC ZINC000331095288 264120918 /nfs/dbraw/zinc/12/09/18/264120918.db2.gz LDADETUXUHLXDZ-LLVKDONJSA-N 0 3 296.440 2.321 20 30 CEEDHN CC[C@@H](C)n1ncc(NC(=O)N2CC[C@@H](N(C)C)C2)c1C ZINC000331136918 264135602 /nfs/dbraw/zinc/13/56/02/264135602.db2.gz QEVJZPZMFROKAS-DGCLKSJQSA-N 0 3 293.415 2.344 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(C(=O)OC)c(CC)o1 ZINC000425359517 264141163 /nfs/dbraw/zinc/14/11/63/264141163.db2.gz VSWXENPZIPMXKJ-FZMZJTMJSA-N 0 3 293.363 2.309 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@H](CO)[C@H]2C)c1 ZINC000425963378 264222871 /nfs/dbraw/zinc/22/28/71/264222871.db2.gz CHQLMFSJJXCVMQ-UKRRQHHQSA-N 0 3 261.365 2.454 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000294053006 265004739 /nfs/dbraw/zinc/00/47/39/265004739.db2.gz UISYUCZTLFZXOC-UHFFFAOYSA-N 0 3 298.308 2.390 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000294063993 265005222 /nfs/dbraw/zinc/00/52/22/265005222.db2.gz VEFVIOCMUWDNGO-JKSUJKDBSA-N 0 3 288.366 2.001 20 30 CEEDHN CC#CCN(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000297208630 265041420 /nfs/dbraw/zinc/04/14/20/265041420.db2.gz WPJVPTFSRYLGIO-KRWDZBQOSA-N 0 3 299.418 2.316 20 30 CEEDHN CN(C)CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000356289801 266088431 /nfs/dbraw/zinc/08/84/31/266088431.db2.gz BJDICDAEUKDSPK-UHFFFAOYSA-N 0 3 297.402 2.408 20 30 CEEDHN C=CCCCC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000356287492 266088820 /nfs/dbraw/zinc/08/88/20/266088820.db2.gz YRXFBVDIMVDBDF-OAHLLOKOSA-N 0 3 250.386 2.287 20 30 CEEDHN CCN(CC)CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000192843462 266113662 /nfs/dbraw/zinc/11/36/62/266113662.db2.gz AGILAZIMVCXPQJ-UHFFFAOYSA-N 0 3 285.391 2.391 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CCC1 ZINC000357791566 266362705 /nfs/dbraw/zinc/36/27/05/266362705.db2.gz NYUFMKQTGQHKOC-OCCSQVGLSA-N 0 3 262.397 2.332 20 30 CEEDHN C[C@H](C(=O)N1CCC(F)(C#N)CC1)N1[C@H](C)CC[C@H]1C ZINC000359367402 266571628 /nfs/dbraw/zinc/57/16/28/266571628.db2.gz ZQIHIYBWTRJLII-JHJVBQTASA-N 0 3 281.375 2.102 20 30 CEEDHN COc1ccc([C@@H](C)NC(=O)C(C)C#N)c(C)c1OC ZINC000360561173 266724612 /nfs/dbraw/zinc/72/46/12/266724612.db2.gz NMMCCRRSLJUCFY-MWLCHTKSSA-N 0 3 276.336 2.349 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000456831388 267018348 /nfs/dbraw/zinc/01/83/48/267018348.db2.gz GOLXYJZCDLAWBG-OAHLLOKOSA-N 0 3 289.354 2.188 20 30 CEEDHN C=C[C@@H](C)NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000362655472 267030075 /nfs/dbraw/zinc/03/00/75/267030075.db2.gz LYOFVGINZMDSEO-UKRRQHHQSA-N 0 3 275.396 2.033 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C[C@H](O)CC(C)(C)C)CC1 ZINC000362808979 267049676 /nfs/dbraw/zinc/04/96/76/267049676.db2.gz NCVFQHBOTNUFIO-HNNXBMFYSA-N 0 3 296.455 2.330 20 30 CEEDHN CCN(C)CCNc1nc2ccccc2c(C)c1C#N ZINC000450280584 267052718 /nfs/dbraw/zinc/05/27/18/267052718.db2.gz YTGOISLQAIWNED-UHFFFAOYSA-N 0 3 268.364 2.200 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@H]1c1cnn(C)c1C ZINC000363153090 267077555 /nfs/dbraw/zinc/07/75/55/267077555.db2.gz KBOLQUGOUDZHIA-HIFRSBDPSA-N 0 3 263.385 2.193 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2nccc(C#N)n2)CN1Cc1ccccc1 ZINC000398151607 267080945 /nfs/dbraw/zinc/08/09/45/267080945.db2.gz PLDQVTVNWALGRG-CZUORRHYSA-N 0 3 293.374 2.423 20 30 CEEDHN C=CCNC(=O)CN1C[C@H](c2cccs2)C[C@@H]1C ZINC000363258734 267082943 /nfs/dbraw/zinc/08/29/43/267082943.db2.gz INMOZVZYCCJTAN-NWDGAFQWSA-N 0 3 264.394 2.228 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CCN2CCC1CC2 ZINC000367409855 267088427 /nfs/dbraw/zinc/08/84/27/267088427.db2.gz JTEJYTLENARJBF-ZDUSSCGKSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1C[C@@H]2CCCCCC[C@@H]21 ZINC000369452853 267243273 /nfs/dbraw/zinc/24/32/73/267243273.db2.gz RBOBYJLVTLAQEZ-IHRRRGAJSA-N 0 3 250.386 2.332 20 30 CEEDHN CN(C(=O)/C=C/c1cccc(C#N)c1)[C@H]1CCN(C2CC2)C1 ZINC000491683854 267269301 /nfs/dbraw/zinc/26/93/01/267269301.db2.gz BHBQFPHCUAWJAD-JZLODUJNSA-N 0 3 295.386 2.267 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)CCc1ccc(C#N)cc1 ZINC000421703694 267308325 /nfs/dbraw/zinc/30/83/25/267308325.db2.gz MTQRDGBJWLTRRA-MRXNPFEDSA-N 0 3 285.391 2.043 20 30 CEEDHN Fc1ccc(C#CCN2CCC[C@@H](c3nc[nH]n3)C2)cc1 ZINC000371299210 267385659 /nfs/dbraw/zinc/38/56/59/267385659.db2.gz DTPZTVIJPYOZFH-CQSZACIVSA-N 0 3 284.338 2.175 20 30 CEEDHN Cc1cc(CNCCN(C)CC(F)(F)F)ccc1C#N ZINC000443992204 267997602 /nfs/dbraw/zinc/99/76/02/267997602.db2.gz YEWQLUKUUSRXCC-UHFFFAOYSA-N 0 3 285.313 2.450 20 30 CEEDHN N#CCC1(CNCc2cc(-c3cccnc3)n[nH]2)CC1 ZINC000377087568 268046429 /nfs/dbraw/zinc/04/64/29/268046429.db2.gz ZSYONGYHXRXYBN-UHFFFAOYSA-N 0 3 267.336 2.255 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[C@H](F)C2)cc1 ZINC000360370931 268092380 /nfs/dbraw/zinc/09/23/80/268092380.db2.gz GBFKOLLXLYZGAR-QLFBSQMISA-N 0 3 285.322 2.247 20 30 CEEDHN N#Cc1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1 ZINC000530028499 268201496 /nfs/dbraw/zinc/20/14/96/268201496.db2.gz UXCMRVYUKMHNQC-MRXNPFEDSA-N 0 3 283.375 2.305 20 30 CEEDHN N#Cc1cccc(CC(=O)NCCN2CCCCCC2)c1 ZINC000530680267 268274327 /nfs/dbraw/zinc/27/43/27/268274327.db2.gz NIFZYLLLEHZXAS-UHFFFAOYSA-N 0 3 285.391 2.093 20 30 CEEDHN COc1ccc2c(c1)OC[C@H](N[C@@H]1CC[C@H](C#N)C1)C2 ZINC000333566183 274130941 /nfs/dbraw/zinc/13/09/41/274130941.db2.gz SKBXWJIYYJTIRC-IACUBPJLSA-N 0 3 272.348 2.281 20 30 CEEDHN FC(F)(F)c1ccc(C#CCN[C@@H]2CCOC2)cc1 ZINC000176501466 274906651 /nfs/dbraw/zinc/90/66/51/274906651.db2.gz BFSHPAAXBNIVJY-CYBMUJFWSA-N 0 3 269.266 2.435 20 30 CEEDHN CN1CC[C@@H]2CCN(c3ncc(C#N)cc3Cl)C[C@@H]21 ZINC000375048229 277147449 /nfs/dbraw/zinc/14/74/49/277147449.db2.gz HMOWTBDBQGXBSQ-YPMHNXCESA-N 0 3 276.771 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ZZFNBAKXZJCTNW-OCCSQVGLSA-N 0 3 274.364 2.160 20 30 CEEDHN C[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)N1CCCC1 ZINC000313990588 289283557 /nfs/dbraw/zinc/28/35/57/289283557.db2.gz NVCPOXVSLFTTNE-SNVBAGLBSA-N 0 3 293.317 2.051 20 30 CEEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000329628260 295384582 /nfs/dbraw/zinc/38/45/82/295384582.db2.gz UOKCMBNKTOWGLW-FRRDWIJNSA-N 0 3 288.395 2.303 20 30 CEEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000329628260 295384583 /nfs/dbraw/zinc/38/45/83/295384583.db2.gz UOKCMBNKTOWGLW-FRRDWIJNSA-N 0 3 288.395 2.303 20 30 CEEDHN CCN1CCC(NC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000548690721 298422283 /nfs/dbraw/zinc/42/22/83/298422283.db2.gz ZFZBNYAZNVTMDD-UHFFFAOYSA-N 0 3 297.402 2.190 20 30 CEEDHN CC1(C)[C@H](NCc2ccc(C#N)cn2)[C@@H]2CCCO[C@@H]21 ZINC000558235765 298583835 /nfs/dbraw/zinc/58/38/35/298583835.db2.gz NMQFDELBNDUUBN-ZNMIVQPWSA-N 0 3 271.364 2.246 20 30 CEEDHN CC(C)=CCCNCc1cnc2c(C#N)cnn2c1 ZINC000566561620 299002889 /nfs/dbraw/zinc/00/28/89/299002889.db2.gz KRHNQWQEHBCBMA-UHFFFAOYSA-N 0 3 255.325 2.047 20 30 CEEDHN COC(=O)CC1(NCc2ccc(C#N)cn2)CCCCC1 ZINC000573573897 314170031 /nfs/dbraw/zinc/17/00/31/314170031.db2.gz DQNSDIIPCAAAKW-UHFFFAOYSA-N 0 3 287.363 2.309 20 30 CEEDHN C#C[C@@H](C)NC(=O)NC1CCN(Cc2cccc(C)c2)CC1 ZINC000364306266 327875238 /nfs/dbraw/zinc/87/52/38/327875238.db2.gz DZWBLFOHNPZEFN-OAHLLOKOSA-N 0 3 299.418 2.280 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CC(C)(C)C ZINC000339249064 328003517 /nfs/dbraw/zinc/00/35/17/328003517.db2.gz LFSKFCWFEXFVAC-IUODEOHRSA-N 0 3 267.417 2.407 20 30 CEEDHN CCCN(CC(C)(C)CCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000161122526 328133842 /nfs/dbraw/zinc/13/38/42/328133842.db2.gz MSSAXXLVQIUFKY-CYBMUJFWSA-N 0 3 286.441 2.215 20 30 CEEDHN CC[C@H](C(=O)N[C@@H](C#N)c1ccccc1Cl)N(C)C ZINC000413462583 328146630 /nfs/dbraw/zinc/14/66/30/328146630.db2.gz XJRHSJOHXDRARY-QWHCGFSZSA-N 0 3 279.771 2.361 20 30 CEEDHN C[C@H](C(=O)N(C)CC#N)N1CCC(Cc2ccccc2)CC1 ZINC000264682137 328161325 /nfs/dbraw/zinc/16/13/25/328161325.db2.gz OPPUVRMUWILXFG-OAHLLOKOSA-N 0 3 299.418 2.312 20 30 CEEDHN C[C@H](NC(=O)NCCCC#N)[C@H](c1ccccc1)N(C)C ZINC000288294604 328252841 /nfs/dbraw/zinc/25/28/41/328252841.db2.gz TVMLVQJKCVEOMV-DZGCQCFKSA-N 0 3 288.395 2.281 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCCC#N ZINC000291866520 328267154 /nfs/dbraw/zinc/26/71/54/328267154.db2.gz HSTGDLBSGBTEQP-GOEBONIOSA-N 0 3 285.391 2.317 20 30 CEEDHN C[C@@H]1OCC[C@@]1(C)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000579964336 321905287 /nfs/dbraw/zinc/90/52/87/321905287.db2.gz CYIQGIXJPPSNIG-IINYFYTJSA-N 0 3 275.308 2.124 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@H](c2nccn2C)C1 ZINC000580694814 322335583 /nfs/dbraw/zinc/33/55/83/322335583.db2.gz JLDXNEVKMUMGTA-AWEZNQCLSA-N 0 3 296.374 2.290 20 30 CEEDHN CO[C@@H]1C[C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C1(C)C ZINC000581014641 322362823 /nfs/dbraw/zinc/36/28/23/322362823.db2.gz NTLPULFIIDTNRN-UONOGXRCSA-N 0 3 289.335 2.370 20 30 CEEDHN 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CEEDHN N#CC1(CNC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000559610223 327255436 /nfs/dbraw/zinc/25/54/36/327255436.db2.gz VDERIOPXYQBJAT-UHFFFAOYSA-N 0 3 297.402 2.319 20 30 CEEDHN C=C[C@@H](CO)NCc1cccc(-c2cccnc2)c1 ZINC000352454775 328751441 /nfs/dbraw/zinc/75/14/41/328751441.db2.gz VOECLFKRINVVGB-INIZCTEOSA-N 0 3 254.333 2.385 20 30 CEEDHN C=CCN(CC=C)[C@H](CNc1nccnc1C)C(C)C ZINC000357315149 328868905 /nfs/dbraw/zinc/86/89/05/328868905.db2.gz MIHXGOSOLZVTQA-OAHLLOKOSA-N 0 3 274.412 2.317 20 30 CEEDHN C=CCCCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375387716 329003311 /nfs/dbraw/zinc/00/33/11/329003311.db2.gz BJIQJXVYMUQXGM-GFCCVEGCSA-N 0 3 264.329 2.394 20 30 CEEDHN C#C[C@H](C)NCc1c[nH]nc1-c1c(F)cccc1F ZINC000377413055 329014692 /nfs/dbraw/zinc/01/46/92/329014692.db2.gz PPFJCYMIVOXKSH-VIFPVBQESA-N 0 3 261.275 2.466 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@H](Cc2ccccc2)C1 ZINC000377569899 329019287 /nfs/dbraw/zinc/01/92/87/329019287.db2.gz XGWZEDGZQPXNAR-NVXWUHKLSA-N 0 3 284.403 2.079 20 30 CEEDHN C#Cc1ccc(CN[C@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000377613687 329020582 /nfs/dbraw/zinc/02/05/82/329020582.db2.gz FFCWZVBLRUFTDL-ROUUACIJSA-N 0 3 263.340 2.416 20 30 CEEDHN CC(C)CN1CCCN(C(=O)CC(C)(C)C#N)CC1 ZINC000377754802 329028010 /nfs/dbraw/zinc/02/80/10/329028010.db2.gz XPHGIMGQTRBTJW-UHFFFAOYSA-N 0 3 265.401 2.117 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H](C)OCCC(C)C)CC1 ZINC000171717196 329078866 /nfs/dbraw/zinc/07/88/66/329078866.db2.gz UUJFFYOFIMWMPI-AWEZNQCLSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H](CC)OC2CCCC2)CC1 ZINC000171976375 329082559 /nfs/dbraw/zinc/08/25/59/329082559.db2.gz CLFFXOYDXIDQOM-MRXNPFEDSA-N 0 3 294.439 2.491 20 30 CEEDHN CC(C)(C#N)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000172417044 329135150 /nfs/dbraw/zinc/13/51/50/329135150.db2.gz DFGZJLPTDZGGQH-UHFFFAOYSA-N 0 3 263.385 2.013 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1C[C@H](C)CC[C@@H]1C ZINC000174469228 329159133 /nfs/dbraw/zinc/15/91/33/329159133.db2.gz HTXLLDLQHJRPDH-KGLIPLIRSA-N 0 3 250.386 2.307 20 30 CEEDHN C=CCSCCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000176917484 329179839 /nfs/dbraw/zinc/17/98/39/329179839.db2.gz XSFJJDKHRPTQEG-UHFFFAOYSA-N 0 3 299.484 2.421 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)C2(C#N)CCCCC2)CN1C1CC1 ZINC000177212808 329182012 /nfs/dbraw/zinc/18/20/12/329182012.db2.gz ICIKFMDZESBAHO-STQMWFEESA-N 0 3 275.396 2.202 20 30 CEEDHN CCCCCCCCN1CCCN(C(N)=O)CC1 ZINC000178219651 329194704 /nfs/dbraw/zinc/19/47/04/329194704.db2.gz LDTGGYFLSHIBGV-UHFFFAOYSA-N 0 3 255.406 2.433 20 30 CEEDHN C=CC[C@@H](CO)NCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000184280360 329258421 /nfs/dbraw/zinc/25/84/21/329258421.db2.gz KEZLPQXJJWRPSI-RISCZKNCSA-N 0 3 277.364 2.045 20 30 CEEDHN CC#CCCCC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000185296863 329270247 /nfs/dbraw/zinc/27/02/47/329270247.db2.gz MLRBDHZIJUAJFL-HNNXBMFYSA-N 0 3 264.413 2.417 20 30 CEEDHN CC1(C#N)CN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000582912853 329287651 /nfs/dbraw/zinc/28/76/51/329287651.db2.gz JYODIMHJDQOZMQ-HNNXBMFYSA-N 0 3 255.365 2.106 20 30 CEEDHN C=CCC[C@H](O)CN(Cc1cnn(C)c1)CC(C)C ZINC000459592483 329341508 /nfs/dbraw/zinc/34/15/08/329341508.db2.gz MSWKPEMJTVSZQY-HNNXBMFYSA-N 0 3 265.401 2.205 20 30 CEEDHN C=CCOc1ccc(C(=O)N2C[C@H](C)NC[C@H]2C)cc1 ZINC000237648526 329694649 /nfs/dbraw/zinc/69/46/49/329694649.db2.gz OVWZUXSLZLIAFE-QWHCGFSZSA-N 0 3 274.364 2.074 20 30 CEEDHN CN(C)[C@H](CC(=O)N1CCC(C#N)CC1)c1ccccc1 ZINC000431766966 329761597 /nfs/dbraw/zinc/76/15/97/329761597.db2.gz ULHLKUKFJVPQNF-MRXNPFEDSA-N 0 3 285.391 2.442 20 30 CEEDHN CCc1ccc([C@H](NCC(=O)NCC#N)C(C)C)cc1 ZINC000066473458 329848142 /nfs/dbraw/zinc/84/81/42/329848142.db2.gz ZIZSYHUHNXOIGE-MRXNPFEDSA-N 0 3 273.380 2.175 20 30 CEEDHN COc1ccc(OC)c(NC(=N)NCC2(C#N)CCC2)c1 ZINC000263181421 330047724 /nfs/dbraw/zinc/04/77/24/330047724.db2.gz UGJRUBKTYCWZQU-UHFFFAOYSA-N 0 3 288.351 2.124 20 30 CEEDHN C=C(C)CN1CCC(Nc2ncnc3[nH]ccc32)CC1 ZINC000264510910 330061859 /nfs/dbraw/zinc/06/18/59/330061859.db2.gz TXFZHAUYQXADOI-UHFFFAOYSA-N 0 3 271.368 2.410 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2)OCC ZINC000580447563 330140324 /nfs/dbraw/zinc/14/03/24/330140324.db2.gz LETHNXQKLVEKFQ-RRFJBIMHSA-N 0 3 280.412 2.053 20 30 CEEDHN CN(Cc1cccc(Cl)c1)C(=O)[C@@H](N)CCCC#N ZINC000424079708 330221892 /nfs/dbraw/zinc/22/18/92/330221892.db2.gz RQDPHSHWTSKDAS-ZDUSSCGKSA-N 0 3 279.771 2.320 20 30 CEEDHN C[C@@H]1CCC[C@@H](N(C)C(=O)[C@H](N)CCCC#N)C1 ZINC000424102485 330233635 /nfs/dbraw/zinc/23/36/35/330233635.db2.gz QTFPPSNZCKYJAP-JHJVBQTASA-N 0 3 251.374 2.045 20 30 CEEDHN C[C@@H](c1ccccc1F)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424104936 330234130 /nfs/dbraw/zinc/23/41/30/330234130.db2.gz VIOVSTVHXDNGTQ-FZMZJTMJSA-N 0 3 277.343 2.366 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCCc1ccc(F)cc1Cl ZINC000424125246 330258349 /nfs/dbraw/zinc/25/83/49/330258349.db2.gz NPHUUQAUTONGIO-CYBMUJFWSA-N 0 3 297.761 2.159 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](CC)CCCC ZINC000327969314 330258528 /nfs/dbraw/zinc/25/85/28/330258528.db2.gz FQOGSKSFRCILEW-CQSZACIVSA-N 0 3 252.402 2.274 20 30 CEEDHN C[C@H]1c2ccccc2CCN1C(=O)[C@H](N)CCCC#N ZINC000424137677 330275139 /nfs/dbraw/zinc/27/51/39/330275139.db2.gz MDLMNGRMYVHIEW-SWLSCSKDSA-N 0 3 271.364 2.153 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000424158999 330305816 /nfs/dbraw/zinc/30/58/16/330305816.db2.gz RVTLXHIIZVJGTH-CYBMUJFWSA-N 0 3 283.335 2.036 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000424161741 330307358 /nfs/dbraw/zinc/30/73/58/330307358.db2.gz WAEVZJPCRGCWFV-ZDUSSCGKSA-N 0 3 283.335 2.036 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc2c(c1)OC(F)(F)O2 ZINC000424179159 330318520 /nfs/dbraw/zinc/31/85/20/330318520.db2.gz SNINVRJXFFPSHO-JTQLQIEISA-N 0 3 271.263 2.035 20 30 CEEDHN CN(Cc1cc(Cl)ccc1F)C(=O)[C@H](N)CCCC#N ZINC000424179225 330318615 /nfs/dbraw/zinc/31/86/15/330318615.db2.gz YLIRHPMOQIRBLU-CYBMUJFWSA-N 0 3 297.761 2.459 20 30 CEEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCC#N)[C@@H]2CCCC[C@@H]21 ZINC000424181005 330319090 /nfs/dbraw/zinc/31/90/90/330319090.db2.gz QJVWCGFUPPSXKX-AAVRWANBSA-N 0 3 263.385 2.045 20 30 CEEDHN C[C@@H]1CCN(C(=O)[C@@H](N)CCCC#N)c2c(O)cccc21 ZINC000424185098 330320337 /nfs/dbraw/zinc/32/03/37/330320337.db2.gz FHRHLJVRVTZUCQ-YPMHNXCESA-N 0 3 287.363 2.254 20 30 CEEDHN COc1cc(CN[C@@H]2CC[C@H](C#N)C2)cc2c1OCCO2 ZINC000424191363 330323700 /nfs/dbraw/zinc/32/37/00/330323700.db2.gz HGNAGTKYPLOUDF-WCQYABFASA-N 0 3 288.347 2.248 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@H](N)CCCC#N ZINC000424194654 330324408 /nfs/dbraw/zinc/32/44/08/330324408.db2.gz SDIYHEITSSXARD-UPJWGTAASA-N 0 3 251.374 2.045 20 30 CEEDHN C=CCCn1cc(C(=O)Nc2ccc(CN(C)C)cc2)nn1 ZINC000424557511 330375146 /nfs/dbraw/zinc/37/51/46/330375146.db2.gz CYMVGLXCIAURLB-UHFFFAOYSA-N 0 3 299.378 2.168 20 30 CEEDHN C=CCC1(C(=O)N[C@@H](C)CN2CCCCC2)CCOCC1 ZINC000424580361 330386912 /nfs/dbraw/zinc/38/69/12/330386912.db2.gz CPRKFZQLWASYBT-HNNXBMFYSA-N 0 3 294.439 2.350 20 30 CEEDHN CCn1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1=O ZINC000433099213 330617184 /nfs/dbraw/zinc/61/71/84/330617184.db2.gz HRJNUZNYOAAXDC-JSGCOSHPSA-N 0 3 259.353 2.040 20 30 CEEDHN C=CC(C)(C)CNCc1cnc(-c2cnn(C)c2)nc1 ZINC000449483823 330929732 /nfs/dbraw/zinc/92/97/32/330929732.db2.gz CMBGJMBSTIHJNB-UHFFFAOYSA-N 0 3 271.368 2.179 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C(=O)OCC)c(C)[nH]1 ZINC000449549111 330935760 /nfs/dbraw/zinc/93/57/60/330935760.db2.gz UVCCFMFBUXGDQB-CABCVRRESA-N 0 3 292.379 2.323 20 30 CEEDHN COC(=O)[C@]12CN(CC3(C#N)CCC3)C[C@H]1CCCC2 ZINC000450942755 331008282 /nfs/dbraw/zinc/00/82/82/331008282.db2.gz RHLQMBLLNKORAK-CZUORRHYSA-N 0 3 276.380 2.345 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1CCO ZINC000451053830 331013720 /nfs/dbraw/zinc/01/37/20/331013720.db2.gz FTALWKOSFIPWHR-HOTGVXAUSA-N 0 3 286.375 2.132 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@H]1C[C@H](OCC)C12CCC2 ZINC000451473579 331030820 /nfs/dbraw/zinc/03/08/20/331030820.db2.gz OQGNPTNRWXSBBD-GJZGRUSLSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCCOc1ccccc1OC ZINC000451609232 331036628 /nfs/dbraw/zinc/03/66/28/331036628.db2.gz UWHVZJPXZUKSOA-OLZOCXBDSA-N 0 3 263.337 2.007 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(C(=O)N(C)C)c1 ZINC000451673884 331038437 /nfs/dbraw/zinc/03/84/37/331038437.db2.gz MDHTXGUJQIXVNO-CVEARBPZSA-N 0 3 288.391 2.212 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N1CCN(C2CC2)C[C@H](C)C1)OCC ZINC000452173579 331057191 /nfs/dbraw/zinc/05/71/91/331057191.db2.gz NJUOBXZTLIIVJL-GOEBONIOSA-N 0 3 294.439 2.300 20 30 CEEDHN COc1ccc2c(c1)C[C@H](NCC1(CC#N)CC1)CO2 ZINC000453206043 331101298 /nfs/dbraw/zinc/10/12/98/331101298.db2.gz DXMMPQATVYUGRN-ZDUSSCGKSA-N 0 3 272.348 2.282 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](CCC)OC)CC1 ZINC000454457120 331146587 /nfs/dbraw/zinc/14/65/87/331146587.db2.gz DKFKMIKGSPMITI-OAHLLOKOSA-N 0 3 297.443 2.141 20 30 CEEDHN C=CC(C)(C)CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000455369898 331167474 /nfs/dbraw/zinc/16/74/74/331167474.db2.gz QAODQRYZNJUQAJ-AWEZNQCLSA-N 0 3 279.428 2.468 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H](C)N1CCCCCC1 ZINC000456258864 331187615 /nfs/dbraw/zinc/18/76/15/331187615.db2.gz GVWJLXBQRKGSNE-ZNMIVQPWSA-N 0 3 280.412 2.101 20 30 CEEDHN C=CCC[C@@H](CO)NC(=O)C(C#N)CCc1ccccc1 ZINC000456757641 331200484 /nfs/dbraw/zinc/20/04/84/331200484.db2.gz BFYFHRBXJQRUPY-CVEARBPZSA-N 0 3 286.375 2.202 20 30 CEEDHN CC(C)(CN1CCCC1)NC(=O)c1ccc(CC#N)cc1 ZINC000457050448 331210964 /nfs/dbraw/zinc/21/09/64/331210964.db2.gz LPADDUBNXFRJPR-UHFFFAOYSA-N 0 3 285.391 2.357 20 30 CEEDHN C=CCn1cccc1C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457100525 331212352 /nfs/dbraw/zinc/21/23/52/331212352.db2.gz WPJURFJANBLUDP-CQSZACIVSA-N 0 3 275.396 2.229 20 30 CEEDHN CC#CCCCC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457102120 331212443 /nfs/dbraw/zinc/21/24/43/331212443.db2.gz ZJNPCHVWJZXVTR-AWEZNQCLSA-N 0 3 250.386 2.121 20 30 CEEDHN C=CCCO[C@H](C)C(=O)Nc1cc(C)cc(CN)c1 ZINC000457366045 331220064 /nfs/dbraw/zinc/22/00/64/331220064.db2.gz CNMPVSNUEZUOOK-GFCCVEGCSA-N 0 3 262.353 2.373 20 30 CEEDHN C[C@@H](CNC(=O)NCC(C)(C)CC#N)N1CCCC[C@H]1C ZINC000457699331 331231684 /nfs/dbraw/zinc/23/16/84/331231684.db2.gz GRDISRLRYNPJPL-KGLIPLIRSA-N 0 3 294.443 2.488 20 30 CEEDHN C=C(CNC(=O)NC(C)(C)CN(C)C)c1ccccc1 ZINC000458764893 331259487 /nfs/dbraw/zinc/25/94/87/331259487.db2.gz SGUJNSCRDJBFKD-UHFFFAOYSA-N 0 3 275.396 2.339 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458984125 331263830 /nfs/dbraw/zinc/26/38/30/331263830.db2.gz FDJNXZDQFRPHDV-ZDUSSCGKSA-N 0 3 267.417 2.323 20 30 CEEDHN C=C(CC)CNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000459071553 331269134 /nfs/dbraw/zinc/26/91/34/331269134.db2.gz HJVCXHUIMOXXSX-CYBMUJFWSA-N 0 3 267.417 2.324 20 30 CEEDHN C=C[C@H](CO)N[C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC000459557857 331287767 /nfs/dbraw/zinc/28/77/67/331287767.db2.gz FDMSXRPBNVFXBB-SLBVQIDZSA-N 0 3 293.432 2.461 20 30 CEEDHN C=CCn1cccc1C(=O)NC1CCN(C2CC2)CC1 ZINC000488547400 332016670 /nfs/dbraw/zinc/01/66/70/332016670.db2.gz JCVGKICVEIRKPQ-UHFFFAOYSA-N 0 3 273.380 2.031 20 30 CEEDHN C=CCCCS(=O)(=O)NCCN(C)C1CCCCC1 ZINC000489276524 332045041 /nfs/dbraw/zinc/04/50/41/332045041.db2.gz JNOWIPWPJWNWEA-UHFFFAOYSA-N 0 3 288.457 2.137 20 30 CEEDHN C=C[C@H]1CCCCN1C[C@H](O)COCc1ccco1 ZINC000489444768 332053175 /nfs/dbraw/zinc/05/31/75/332053175.db2.gz DHVYUMVWYZWJCZ-KBPBESRZSA-N 0 3 265.353 2.198 20 30 CEEDHN C=CCCCS(=O)(=O)N(CC)CCCN1CCCC1 ZINC000489817593 332068781 /nfs/dbraw/zinc/06/87/81/332068781.db2.gz GVIMCPDTGINVPP-UHFFFAOYSA-N 0 3 288.457 2.090 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCC(C)(C)CCC#N ZINC000489920392 332072901 /nfs/dbraw/zinc/07/29/01/332072901.db2.gz BQQZOSYAGJHYSH-CHWSQXEVSA-N 0 3 265.401 2.305 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000489973370 332075185 /nfs/dbraw/zinc/07/51/85/332075185.db2.gz QXDWBTPXIIHSBY-CYBMUJFWSA-N 0 3 273.380 2.054 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1c(C)cccc1C ZINC000491068977 332145264 /nfs/dbraw/zinc/14/52/64/332145264.db2.gz SNRITYSQFXELEH-AWEZNQCLSA-N 0 3 258.365 2.094 20 30 CEEDHN C#CCN(CC#CC)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000491264356 332176545 /nfs/dbraw/zinc/17/65/45/332176545.db2.gz GFKSQIYPOUXPMM-KRWDZBQOSA-N 0 3 282.387 2.165 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000491277429 332179491 /nfs/dbraw/zinc/17/94/91/332179491.db2.gz OQIDNCXNXYZJMU-NVXWUHKLSA-N 0 3 299.418 2.487 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000491297694 332184763 /nfs/dbraw/zinc/18/47/63/332184763.db2.gz RSSMVRDOMRXBKL-SOUVJXGZSA-N 0 3 264.413 2.130 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(CC)CC(C)(C)C ZINC000491340372 332193572 /nfs/dbraw/zinc/19/35/72/332193572.db2.gz XKVYDMCEQDBOPX-UHFFFAOYSA-N 0 3 267.417 2.019 20 30 CEEDHN C#C[C@H](NC(=O)CN(C)CCC)c1ccc(Cl)cc1 ZINC000491350667 332195227 /nfs/dbraw/zinc/19/52/27/332195227.db2.gz PDETWTQMPRPJGD-AWEZNQCLSA-N 0 3 278.783 2.472 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@](C)(CC)CCC ZINC000491404706 332205575 /nfs/dbraw/zinc/20/55/75/332205575.db2.gz DNZDZXCPRJIXLU-HNNXBMFYSA-N 0 3 252.402 2.274 20 30 CEEDHN C#CCNC(=O)CCN[C@@H]1CC(C)(C)c2ccccc21 ZINC000491418078 332207975 /nfs/dbraw/zinc/20/79/75/332207975.db2.gz PONVCZQSWVLQFW-OAHLLOKOSA-N 0 3 270.376 2.138 20 30 CEEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000491543816 332234014 /nfs/dbraw/zinc/23/40/14/332234014.db2.gz IRADVWZFIOTXAT-GFCCVEGCSA-N 0 3 289.335 2.185 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cccc(C2CC2)c1 ZINC000491569377 332240420 /nfs/dbraw/zinc/24/04/20/332240420.db2.gz VUWSUTPKBQVHDR-UHFFFAOYSA-N 0 3 270.376 2.249 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C\c1ccc(F)c(F)c1 ZINC000491638286 332259011 /nfs/dbraw/zinc/25/90/11/332259011.db2.gz XDMJSEAYNDXDNL-VURMDHGXSA-N 0 3 292.329 2.049 20 30 CEEDHN C#C[C@H](CCC)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000491643286 332262222 /nfs/dbraw/zinc/26/22/22/332262222.db2.gz FBMGGXUHGKOUIV-MRXNPFEDSA-N 0 3 287.407 2.349 20 30 CEEDHN C#C[C@@H](NCc1cnc2n[nH]c(C)c2c1)C(C)(C)C ZINC000491668934 332276498 /nfs/dbraw/zinc/27/64/98/332276498.db2.gz KJHCQLAUZQIRFI-CYBMUJFWSA-N 0 3 256.353 2.404 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CC3CCC2CC3)CC1 ZINC000491670886 332278003 /nfs/dbraw/zinc/27/80/03/332278003.db2.gz PQFSKCVEIXUYMY-DQPZFDDXSA-N 0 3 288.435 2.274 20 30 CEEDHN C#CCNC(=O)C1CCN(Cc2cc3ccccc3o2)CC1 ZINC000491719175 332307672 /nfs/dbraw/zinc/30/76/72/332307672.db2.gz XXTFXNHFIAOELO-UHFFFAOYSA-N 0 3 296.370 2.394 20 30 CEEDHN C#CCN(C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000491725464 332309426 /nfs/dbraw/zinc/30/94/26/332309426.db2.gz BLEPHIBLERTENX-GFCCVEGCSA-N 0 3 271.282 2.174 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000491742913 332321236 /nfs/dbraw/zinc/32/12/36/332321236.db2.gz VWDNFKQIORCEJJ-DLBZAZTESA-N 0 3 288.435 2.274 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(CC1CC1)CC1CCC1 ZINC000491748427 332325474 /nfs/dbraw/zinc/32/54/74/332325474.db2.gz DXIFXYNVXCECGT-UHFFFAOYSA-N 0 3 291.439 2.163 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C/C(C)(C)C)CC1 ZINC000492092613 332382469 /nfs/dbraw/zinc/38/24/69/332382469.db2.gz YFVFLGMOCDYPAD-JXMROGBWSA-N 0 3 262.397 2.193 20 30 CEEDHN C#CCCN1CCC(NC(=O)/C=C\c2cncc(C)c2)CC1 ZINC000492233699 332388539 /nfs/dbraw/zinc/38/85/39/332388539.db2.gz RTRJFYOGEWCLNE-WAYWQWQTSA-N 0 3 297.402 2.007 20 30 CEEDHN CN(C)C/C=C/C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000493760483 332453049 /nfs/dbraw/zinc/45/30/49/332453049.db2.gz VLDISUFLYBYUHV-VSGCLNPGSA-N 0 3 263.385 2.083 20 30 CEEDHN CC(=Nn1cnnc1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496258717 332544075 /nfs/dbraw/zinc/54/40/75/332544075.db2.gz VNAVYBWAWKXQQC-GFCCVEGCSA-N 0 3 293.371 2.292 20 30 CEEDHN N#C[C@@H]1CC[C@H](NC2CN(C(=O)OCc3ccccc3)C2)C1 ZINC000496585853 332553973 /nfs/dbraw/zinc/55/39/73/332553973.db2.gz RYMWFSBNFYLLOE-CABCVRRESA-N 0 3 299.374 2.289 20 30 CEEDHN CC(C)(C)OC(=O)N1CC=C(CCNCCC#N)CC1 ZINC000496630234 332555200 /nfs/dbraw/zinc/55/52/00/332555200.db2.gz ZQJOTVLTWPTIBH-UHFFFAOYSA-N 0 3 279.384 2.447 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H](C)C1(C)CC1 ZINC000177248410 333056083 /nfs/dbraw/zinc/05/60/83/333056083.db2.gz JUWJRFRZRYQDTD-OLZOCXBDSA-N 0 3 265.401 2.115 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(CCOC)CCCC2)CC1 ZINC000177551323 333060435 /nfs/dbraw/zinc/06/04/35/333060435.db2.gz RBKITDSRFAECPR-UHFFFAOYSA-N 0 3 294.439 2.350 20 30 CEEDHN CC(C)(C)OC(=O)[C@H]1CCN(CCCCC#N)C1 ZINC000178520076 333074765 /nfs/dbraw/zinc/07/47/65/333074765.db2.gz IPOSXWIURSDVNY-LBPRGKRZSA-N 0 3 252.358 2.344 20 30 CEEDHN CN(CCC1(C#N)CCCCC1)[C@@H]1CCC(=O)N(C)C1 ZINC000516979982 333088726 /nfs/dbraw/zinc/08/87/26/333088726.db2.gz SZOARWURRZDVSW-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCOc1ccccc1C(=O)NC[C@H]1CCCN1C ZINC000194706589 333275950 /nfs/dbraw/zinc/27/59/50/333275950.db2.gz QSPJIELMRYDFCS-CYBMUJFWSA-N 0 3 274.364 2.075 20 30 CEEDHN CN(CCC(=O)N1CCC(CC#N)CC1)c1ccncc1 ZINC000541981193 333805011 /nfs/dbraw/zinc/80/50/11/333805011.db2.gz MJCXUFGHFAPISU-UHFFFAOYSA-N 0 3 286.379 2.060 20 30 CEEDHN C[C@@H](C#N)CN[C@@H](C)CCCOc1ccccc1C(N)=O ZINC000546716107 334047669 /nfs/dbraw/zinc/04/76/69/334047669.db2.gz IOJONCRCXISKJU-STQMWFEESA-N 0 3 289.379 2.082 20 30 CEEDHN N#CC1(C(=O)N2CCC[C@@H](N3CCCCC3)C2)CCC1 ZINC000134878135 334106872 /nfs/dbraw/zinc/10/68/72/334106872.db2.gz IHKIXCODBVVWRQ-CQSZACIVSA-N 0 3 275.396 2.157 20 30 CEEDHN CC#CCNC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000134972646 334109999 /nfs/dbraw/zinc/10/99/99/334109999.db2.gz KXCXXMDPFLTIQM-MRXNPFEDSA-N 0 3 287.407 2.392 20 30 CEEDHN CC(C)(C)OC(=O)C[C@H]1CCCN(CCOCCC#N)C1 ZINC000549866434 334207544 /nfs/dbraw/zinc/20/75/44/334207544.db2.gz VXVVYZFHBMLJPK-CQSZACIVSA-N 0 3 296.411 2.360 20 30 CEEDHN COc1cccc2c1CC[C@@H](NCC1(C#N)CC1)C2 ZINC000565693781 334587969 /nfs/dbraw/zinc/58/79/69/334587969.db2.gz JOJJAYIZSJVGDB-CYBMUJFWSA-N 0 3 256.349 2.446 20 30 CEEDHN N#CCCCN[C@H](CO)c1ccc(Br)cc1 ZINC000273136071 334761528 /nfs/dbraw/zinc/76/15/28/334761528.db2.gz SNHCNAIFOKFLJM-GFCCVEGCSA-N 0 3 283.169 2.376 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000573167246 334914071 /nfs/dbraw/zinc/91/40/71/334914071.db2.gz QKMJIAJCJNZLKO-OAGGEKHMSA-N 0 3 283.375 2.069 20 30 CEEDHN C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)N(C)CCC#N ZINC000192964663 335329784 /nfs/dbraw/zinc/32/97/84/335329784.db2.gz XDVQWENWNWBEDX-CJNGLKHVSA-N 0 3 285.391 2.488 20 30 CEEDHN C[C@H]1[C@@H](N2CCOCC2)CCN1Cc1ccc(CC#N)cc1 ZINC000351992459 534141026 /nfs/dbraw/zinc/14/10/26/534141026.db2.gz DFTYDDHWPKHFTA-YJBOKZPZSA-N 0 3 299.418 2.048 20 30 CEEDHN C=CCc1cc(CN(C)CCN(C)C)cc(OC)c1O ZINC000289823994 517340590 /nfs/dbraw/zinc/34/05/90/517340590.db2.gz OHRJHVICIMEPJZ-UHFFFAOYSA-N 0 3 278.396 2.123 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000069016667 518270255 /nfs/dbraw/zinc/27/02/55/518270255.db2.gz CTLAKDUBRHRDMY-OAHLLOKOSA-N 0 3 285.391 2.462 20 30 CEEDHN Cc1noc(C)c1NC(=O)N1CCCC12CCN(C)CC2 ZINC000329079554 534368201 /nfs/dbraw/zinc/36/82/01/534368201.db2.gz QWBXDFUVJKOMOF-UHFFFAOYSA-N 0 3 292.383 2.397 20 30 CEEDHN CCOc1ccc(C#N)cc1NC1CCN(C)CC1 ZINC000184399029 520870762 /nfs/dbraw/zinc/87/07/62/520870762.db2.gz YUAAKXOODXXDSN-UHFFFAOYSA-N 0 3 259.353 2.463 20 30 CEEDHN CC#CCCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000355160052 526326989 /nfs/dbraw/zinc/32/69/89/526326989.db2.gz IQLNOJOSARPEED-ZBFHGGJFSA-N 0 3 287.407 2.390 20 30 CEEDHN CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000329084960 526548343 /nfs/dbraw/zinc/54/83/43/526548343.db2.gz GBAUYAWUQUKIRK-HUUCEWRRSA-N 0 3 295.427 2.217 20 30 CEEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCOC1 ZINC000352791113 526560549 /nfs/dbraw/zinc/56/05/49/526560549.db2.gz HAXAVZXBFQTALA-CYBMUJFWSA-N 0 3 265.353 2.187 20 30 CEEDHN C=CCOCC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000354557202 526706680 /nfs/dbraw/zinc/70/66/80/526706680.db2.gz CFLNSTZOTJBFOS-INIZCTEOSA-N 0 3 290.407 2.388 20 30 CEEDHN C=CCC1(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)CCCC1 ZINC000334901835 527050047 /nfs/dbraw/zinc/05/00/47/527050047.db2.gz XUMIREXQCWXITF-KGLIPLIRSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000418098743 527219211 /nfs/dbraw/zinc/21/92/11/527219211.db2.gz MFXQXIXLQAIPSB-LSDHHAIUSA-N 0 3 273.380 2.089 20 30 CEEDHN C=CCCCNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418096816 527219527 /nfs/dbraw/zinc/21/95/27/527219527.db2.gz JGPIGIALLMHSGM-HNNXBMFYSA-N 0 3 273.380 2.139 20 30 CEEDHN C=CCC[C@H](NC[C@H]1COCCO1)c1ccco1 ZINC000353404001 527485335 /nfs/dbraw/zinc/48/53/35/527485335.db2.gz LPFUAGYEQPCLIM-STQMWFEESA-N 0 3 251.326 2.292 20 30 CEEDHN CCN(CC#Cc1cccc(Cl)c1)C[C@@H](C)O ZINC000352195563 527878968 /nfs/dbraw/zinc/87/89/68/527878968.db2.gz RQBINVFYOJPYFT-GFCCVEGCSA-N 0 3 251.757 2.394 20 30 CEEDHN CCCN(C[C@H]1COc2ccccc2O1)C(=O)C(C)C#N ZINC000344569268 528128204 /nfs/dbraw/zinc/12/82/04/528128204.db2.gz FWCFZXHVOZNYQQ-OLZOCXBDSA-N 0 3 288.347 2.225 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1cnn2c1CCCC2 ZINC000329217462 528234065 /nfs/dbraw/zinc/23/40/65/528234065.db2.gz QEERMWHEAMOGSE-ZDUSSCGKSA-N 0 3 290.411 2.398 20 30 CEEDHN CC(C)c1nc([C@@H]2CCCN2C(=O)C(C)C#N)no1 ZINC000332404554 528308549 /nfs/dbraw/zinc/30/85/49/528308549.db2.gz XBZQSTFICWMAEH-ZJUUUORDSA-N 0 3 262.313 2.016 20 30 CEEDHN CC1(C#N)CCN(C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000335301673 528836706 /nfs/dbraw/zinc/83/67/06/528836706.db2.gz XWSXDEFRZSHJRL-AWEZNQCLSA-N 0 3 286.379 2.022 20 30 CEEDHN CC1(C)CCCCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000335959015 528914001 /nfs/dbraw/zinc/91/40/01/528914001.db2.gz AUUNTGGSNVDSRU-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)Cn1cc2ccccc2n1 ZINC000330113307 529058384 /nfs/dbraw/zinc/05/83/84/529058384.db2.gz SCSOQKZVNWXDPM-CQSZACIVSA-N 0 3 286.379 2.477 20 30 CEEDHN CC[C@H](C)[C@H](C)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000158824837 529241936 /nfs/dbraw/zinc/24/19/36/529241936.db2.gz UZYFELSVOYSUPX-STQMWFEESA-N 0 3 294.420 2.356 20 30 CEEDHN CC[C@H](CC#N)N[C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000354642594 529301399 /nfs/dbraw/zinc/30/13/99/529301399.db2.gz FBPXURVSMCSLIT-FDYHWXHSSA-N 0 3 252.358 2.246 20 30 CEEDHN CN(CCN1CCCC1)C(=O)/C=C\c1ccccc1C#N ZINC000728550598 574467197 /nfs/dbraw/zinc/46/71/97/574467197.db2.gz SJWYYRHPMDDVCS-HJWRWDBZSA-N 0 3 283.375 2.126 20 30 CEEDHN CN(CCN1CCCC1)C(=O)/C=C/c1ccccc1C#N ZINC000728550597 574467252 /nfs/dbraw/zinc/46/72/52/574467252.db2.gz SJWYYRHPMDDVCS-CMDGGOBGSA-N 0 3 283.375 2.126 20 30 CEEDHN C[C@H](CO)NN=C1CCCC[C@H]1N1C[C@H](C)C[C@H](C)C1 ZINC000751529877 574470414 /nfs/dbraw/zinc/47/04/14/574470414.db2.gz UDLVYPWJZSWFGJ-HLPPOEQASA-N 0 3 281.444 2.233 20 30 CEEDHN C#Cc1ccc(C(=O)NCc2ccccc2CN(C)C)nc1 ZINC000728858617 574472478 /nfs/dbraw/zinc/47/24/78/574472478.db2.gz TXHHENLHIBQLGN-UHFFFAOYSA-N 0 3 293.370 2.055 20 30 CEEDHN C#Cc1ccc(C(=O)Nc2ccccc2CN(C)C)cn1 ZINC000728861636 574472711 /nfs/dbraw/zinc/47/27/11/574472711.db2.gz OROAMMBVUBRQJB-UHFFFAOYSA-N 0 3 279.343 2.377 20 30 CEEDHN C=CCOCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000729889664 574494291 /nfs/dbraw/zinc/49/42/91/574494291.db2.gz SAXWLJVCOSTWDJ-SNVBAGLBSA-N 0 3 292.722 2.190 20 30 CEEDHN C#CCOCCN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000753767889 574515641 /nfs/dbraw/zinc/51/56/41/574515641.db2.gz MXJLOFXUUNNZIQ-AWEZNQCLSA-N 0 3 283.375 2.481 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000733889114 574691254 /nfs/dbraw/zinc/69/12/54/574691254.db2.gz RUCFXGIGLJNRNF-LBPRGKRZSA-N 0 3 257.337 2.063 20 30 CEEDHN C=C1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735403435 574756924 /nfs/dbraw/zinc/75/69/24/574756924.db2.gz VYGSWLRPSBDHGR-UHFFFAOYSA-N 0 3 255.325 2.019 20 30 CEEDHN CCCCOCC(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000735769494 574765860 /nfs/dbraw/zinc/76/58/60/574765860.db2.gz JYRMIYQBMBWXQZ-GFCCVEGCSA-N 0 3 261.325 2.086 20 30 CEEDHN Cc1ccsc1C(Cc1ccccc1)=NNC(=N)N ZINC000735970736 574772276 /nfs/dbraw/zinc/77/22/76/574772276.db2.gz HDNYHXZZEBKILL-UHFFFAOYSA-N 0 3 272.377 2.486 20 30 CEEDHN Cc1cc(CNCc2ccc(O[C@@H](C)C#N)cc2)n[nH]1 ZINC000738431700 574862759 /nfs/dbraw/zinc/86/27/59/574862759.db2.gz VIFHMTZWZSUZNC-LBPRGKRZSA-N 0 3 270.336 2.299 20 30 CEEDHN C#CCCN1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000740737484 574967120 /nfs/dbraw/zinc/96/71/20/574967120.db2.gz OWLGFNPBVUNALE-UHFFFAOYSA-N 0 3 284.403 2.223 20 30 CEEDHN C[C@@H](C#N)OC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000741327664 574982363 /nfs/dbraw/zinc/98/23/63/574982363.db2.gz OUQFGNDRPLVHNF-ZFWWWQNUSA-N 0 3 272.348 2.354 20 30 CEEDHN CCN1CCC(=NNC(=S)NCCC(C)C)[C@@H](C)C1 ZINC000741455894 574987289 /nfs/dbraw/zinc/98/72/89/574987289.db2.gz PDFPEMXCNWYVJO-LBPRGKRZSA-N 0 3 284.473 2.214 20 30 CEEDHN C[C@H]1CC(=NNC(=S)Nc2ccccc2)CCN1C ZINC000741458204 574987654 /nfs/dbraw/zinc/98/76/54/574987654.db2.gz QPSLIDXCDJIEPI-NSHDSACASA-N 0 3 276.409 2.443 20 30 CEEDHN COc1ccc(CCNN=C2CCN(C)[C@@H](C)C2)cc1 ZINC000741460598 574987943 /nfs/dbraw/zinc/98/79/43/574987943.db2.gz OJMVVBDKECMQKH-ZDUSSCGKSA-N 0 3 275.396 2.297 20 30 CEEDHN C#Cc1cccc(NC(=S)NCCN2CCC[C@@H]2C)c1 ZINC000743016954 575040334 /nfs/dbraw/zinc/04/03/34/575040334.db2.gz PROCFSBUXMBXRR-ZDUSSCGKSA-N 0 3 287.432 2.439 20 30 CEEDHN C[C@H](C#N)OC(=O)C1CCN(c2cccc(Cl)c2)C1=O ZINC000745432377 575138092 /nfs/dbraw/zinc/13/80/92/575138092.db2.gz JOGVFGZWIWDAPZ-SKDRFNHKSA-N 0 3 292.722 2.148 20 30 CEEDHN C=CCN(C(=O)N[C@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000745854367 575144776 /nfs/dbraw/zinc/14/47/76/575144776.db2.gz JQEQTDZZWDSNII-OLZOCXBDSA-N 0 3 253.390 2.075 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)COC2(C)CCC2)CC1 ZINC000746161220 575150426 /nfs/dbraw/zinc/15/04/26/575150426.db2.gz CQZLMIYMRWHQGO-UHFFFAOYSA-N 0 3 280.412 2.102 20 30 CEEDHN CC[C@@H](CN1CCCC1)NC(=O)C#Cc1ccccc1 ZINC000747397304 575170061 /nfs/dbraw/zinc/17/00/61/575170061.db2.gz KEKDNBHMKCBZJW-INIZCTEOSA-N 0 3 270.376 2.029 20 30 CEEDHN COCCON=C1CCCC[C@@H]1N1CCCCC1 ZINC000748790814 575196681 /nfs/dbraw/zinc/19/66/81/575196681.db2.gz ADJMJPZVAWZIHL-AWEZNQCLSA-N 0 3 254.374 2.434 20 30 CEEDHN C#CCNC(=O)CN1CCC[C@H](CCCc2ccccc2)C1 ZINC000749541960 575224538 /nfs/dbraw/zinc/22/45/38/575224538.db2.gz BDMOXCHCNYBGCC-SFHVURJKSA-N 0 3 298.430 2.471 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)C1CC(F)(F)C1 ZINC000753796931 575342549 /nfs/dbraw/zinc/34/25/49/575342549.db2.gz AVAXJBQAGOZIFF-LLVKDONJSA-N 0 3 286.322 2.437 20 30 CEEDHN C=CC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000819733859 607481203 /nfs/dbraw/zinc/48/12/03/607481203.db2.gz DBYOGQRUPFQRQA-VIFPVBQESA-N 0 3 261.304 2.060 20 30 CEEDHN C=CC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000819733859 607481204 /nfs/dbraw/zinc/48/12/04/607481204.db2.gz DBYOGQRUPFQRQA-VIFPVBQESA-N 0 3 261.304 2.060 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC000968937386 612959966 /nfs/dbraw/zinc/95/99/66/612959966.db2.gz IHPKCNQWINUCIM-CQSZACIVSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)CC[C@H]2CCc3ccccc32)C1 ZINC000970775144 612960680 /nfs/dbraw/zinc/96/06/80/612960680.db2.gz OUKYRJBTZUSKDM-IAGOWNOFSA-N 0 3 296.414 2.320 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cccc(C3CCC3)c2)C1 ZINC000970483497 612966103 /nfs/dbraw/zinc/96/61/03/612966103.db2.gz LXTGJYUOMVMVOB-QGZVFWFLSA-N 0 3 282.387 2.391 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2coc3c2cccc3C)C1 ZINC000968924655 612967779 /nfs/dbraw/zinc/96/77/79/612967779.db2.gz SWSZCAMQAUHTQM-CYBMUJFWSA-N 0 3 282.343 2.179 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(C)c(F)c2)C1 ZINC000970096882 612995262 /nfs/dbraw/zinc/99/52/62/612995262.db2.gz SDCJEDMBDHFSBL-CYBMUJFWSA-N 0 3 288.366 2.208 20 30 CEEDHN C#CCCN1CCCN(C(=O)C[C@@H]2C=CCCC2)CC1 ZINC000981430842 613002889 /nfs/dbraw/zinc/00/28/89/613002889.db2.gz JKCHPEJWFVGTLM-MRXNPFEDSA-N 0 3 274.408 2.290 20 30 CEEDHN C#CCCN1CCCN(C(=O)C[C@@H]2CC=CCC2)CC1 ZINC000981760290 613003168 /nfs/dbraw/zinc/00/31/68/613003168.db2.gz ZFYHVIZVSVRVOJ-MRXNPFEDSA-N 0 3 274.408 2.290 20 30 CEEDHN C#CCCN1CCCN(C(=O)C[C@H]2CC=CCC2)CC1 ZINC000981760289 613003213 /nfs/dbraw/zinc/00/32/13/613003213.db2.gz ZFYHVIZVSVRVOJ-INIZCTEOSA-N 0 3 274.408 2.290 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H](C)c2ccsc2)CC1 ZINC000981941403 613003774 /nfs/dbraw/zinc/00/37/74/613003774.db2.gz OLDHKLLKBXMSRQ-AWEZNQCLSA-N 0 3 290.432 2.409 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc[nH]c2CC)C1 ZINC000965990036 613015530 /nfs/dbraw/zinc/01/55/30/613015530.db2.gz LZEPDGQKYCPDMD-CZUORRHYSA-N 0 3 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C#CCN1CC[C@@H](NC(=O)c2cc3n(c2)CCCC3)C[C@@H]1C ZINC000948109042 613234097 /nfs/dbraw/zinc/23/40/97/613234097.db2.gz RRRHDALXZLHPFL-GOEBONIOSA-N 0 3 299.418 2.040 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccnc(CCC)c2)[C@@H](C)C1 ZINC000942148697 613238353 /nfs/dbraw/zinc/23/83/53/613238353.db2.gz WWEWEVQUIYENMQ-WMLDXEAASA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)c2ccccc2)[C@@H](C)C1 ZINC000944811625 613256274 /nfs/dbraw/zinc/25/62/74/613256274.db2.gz OZFYNHHZKJHTBA-RDJZCZTQSA-N 0 3 298.430 2.424 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H](C)C1 ZINC000941929414 613258124 /nfs/dbraw/zinc/25/81/24/613258124.db2.gz MFUUDJCBWAOHAU-OLZOCXBDSA-N 0 3 276.424 2.128 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2ccc(F)cc2C)C[C@@H]1C ZINC000947951898 613268941 /nfs/dbraw/zinc/26/89/41/613268941.db2.gz FXSSYXLBXUGZFD-ZFWWWQNUSA-N 0 3 288.366 2.350 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(F)c2C)C[C@@H]1C ZINC000947327534 613270887 /nfs/dbraw/zinc/27/08/87/613270887.db2.gz 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C=CC(C)(C)C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000981753913 613430829 /nfs/dbraw/zinc/43/08/29/613430829.db2.gz OMZQKIZNIGGSME-ZDUSSCGKSA-N 0 3 270.392 2.481 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCCN(C[C@H](CC)OC)CC1 ZINC000981754573 613431119 /nfs/dbraw/zinc/43/11/19/613431119.db2.gz JWOAHHDSBGASKZ-AWEZNQCLSA-N 0 3 282.428 2.158 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@@H]1CCN(CC#CC)C[C@H]1C ZINC000942131273 613437635 /nfs/dbraw/zinc/43/76/35/613437635.db2.gz VNIOJOPELRCWDQ-HZPDHXFCSA-N 0 3 299.418 2.138 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@@H]1CCN(CC#CC)[C@H](C)C1 ZINC000947392319 613437669 /nfs/dbraw/zinc/43/76/69/613437669.db2.gz VHHPATCQJYRKPY-HZPDHXFCSA-N 0 3 299.418 2.280 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CC(CC)CC)CC1 ZINC000950597376 613463131 /nfs/dbraw/zinc/46/31/31/613463131.db2.gz OXATZZNLKIJPLF-CVEARBPZSA-N 0 3 294.439 2.158 20 30 CEEDHN C=CCCN1CCCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000981656652 613494948 /nfs/dbraw/zinc/49/49/48/613494948.db2.gz BVPJGLDBTBDWRW-GDBMZVCRSA-N 0 3 262.397 2.287 20 30 CEEDHN CC(=O)N1CC[C@H]2CN(Cc3ccccc3C#N)C[C@H]2CC1 ZINC000946419542 613503689 /nfs/dbraw/zinc/50/36/89/613503689.db2.gz TZHNUGQSBHNIIF-HDICACEKSA-N 0 3 297.402 2.249 20 30 CEEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2onc(C)c2C)C1 ZINC000966896224 613518933 /nfs/dbraw/zinc/51/89/33/613518933.db2.gz NJXJDKQQKWMZPF-BXUZGUMPSA-N 0 3 291.395 2.308 20 30 CEEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(CC)on2)C1 ZINC000968553364 613529453 /nfs/dbraw/zinc/52/94/53/613529453.db2.gz LKIAWOCWLYTYEU-WFASDCNBSA-N 0 3 291.395 2.253 20 30 CEEDHN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2csnc2C)C1 ZINC000965894166 613530676 /nfs/dbraw/zinc/53/06/76/613530676.db2.gz DCMBNBAIEBQIFC-FZMZJTMJSA-N 0 3 293.436 2.468 20 30 CEEDHN CC#CCN1CCCC2(CN(C(=O)c3[nH]c(C)cc3C)C2)C1 ZINC000981850076 613543300 /nfs/dbraw/zinc/54/33/00/613543300.db2.gz OZKQNHZMFIUIHA-UHFFFAOYSA-N 0 3 299.418 2.193 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)c2c(C)noc2C)C(C)(C)C1 ZINC000972798556 613546043 /nfs/dbraw/zinc/54/60/43/613546043.db2.gz 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ZINC000947567024 613601380 /nfs/dbraw/zinc/60/13/80/613601380.db2.gz AHBMKGDBNKJBHS-CVEARBPZSA-N 0 3 299.418 2.304 20 30 CEEDHN CC#CCN1CC[C@H](NC(=O)c2csc(C)n2)C[C@H]1C ZINC000947653802 613606274 /nfs/dbraw/zinc/60/62/74/613606274.db2.gz SWBMPBZAWNCFTD-YPMHNXCESA-N 0 3 291.420 2.058 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)C2(C(F)F)CCC2)C1 ZINC000972162226 613610785 /nfs/dbraw/zinc/61/07/85/613610785.db2.gz KHJUIUZESXAMSU-LLVKDONJSA-N 0 3 272.339 2.141 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CC[C@@H]2CCCCO2)C1 ZINC000972463241 613611369 /nfs/dbraw/zinc/61/13/69/613611369.db2.gz GANOSXGJMYSZHV-CABCVRRESA-N 0 3 280.412 2.054 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)CCc2cccs2)C1 ZINC000980357303 613612215 /nfs/dbraw/zinc/61/22/15/613612215.db2.gz JUGDYXFFYSYIAK-CYBMUJFWSA-N 0 3 278.421 2.399 20 30 CEEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC000971596016 613615421 /nfs/dbraw/zinc/61/54/21/613615421.db2.gz GDXJIYACJJMSJI-ZBFHGGJFSA-N 0 3 262.397 2.452 20 30 CEEDHN 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/nfs/dbraw/zinc/26/55/46/632265546.db2.gz WYCYFOCPHMHMNG-CQSZACIVSA-N 0 3 295.342 2.457 20 30 CEEDHN C=C(C)CN1CC[C@]2(NC(=O)C(C)(F)F)CCC[C@@H]12 ZINC000989906376 632276371 /nfs/dbraw/zinc/27/63/71/632276371.db2.gz PUYWIPHXZUMJKX-BXUZGUMPSA-N 0 3 272.339 2.331 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)C3CC3)CCC[C@H]12 ZINC000990152255 632320843 /nfs/dbraw/zinc/32/08/43/632320843.db2.gz XHIRFPFEPWZIIC-DUVNUKRYSA-N 0 3 262.397 2.332 20 30 CEEDHN C=CCCCCOC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000811009627 632324175 /nfs/dbraw/zinc/32/41/75/632324175.db2.gz ZMKAOLVVVNXPJU-UWVGGRQHSA-N 0 3 293.285 2.343 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)C3CC(C)C3)CCC[C@H]12 ZINC000990194813 632326117 /nfs/dbraw/zinc/32/61/17/632326117.db2.gz VUQKNUYMTYSSJM-UMPYDWHISA-N 0 3 274.408 2.169 20 30 CEEDHN CC#CCN1CC[C@@]2(NC(=O)C3CC(C)C3)CCC[C@@H]12 ZINC000990194809 632326370 /nfs/dbraw/zinc/32/63/70/632326370.db2.gz VUQKNUYMTYSSJM-BOXZVXIZSA-N 0 3 274.408 2.169 20 30 CEEDHN C#C[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC000811530751 632396314 /nfs/dbraw/zinc/39/63/14/632396314.db2.gz QVNCPOQGFLDKCG-LRDDRELGSA-N 0 3 282.403 2.363 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)C(C)=C3CCC3)CCC[C@@H]12 ZINC000990638722 632409879 /nfs/dbraw/zinc/40/98/79/632409879.db2.gz OEKYLGBZHRHZDT-NVXWUHKLSA-N 0 3 272.392 2.233 20 30 CEEDHN C[C@H](NN=Cc1cnc(N(C)C)n1C)c1ccccc1 ZINC000811640590 632411448 /nfs/dbraw/zinc/41/14/48/632411448.db2.gz VNVMLUISCHLOQG-LBPRGKRZSA-N 0 3 271.368 2.171 20 30 CEEDHN C=C1CCC(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)CC1 ZINC000899198305 632733860 /nfs/dbraw/zinc/73/38/60/632733860.db2.gz AXSORSJYROKIKT-GJZGRUSLSA-N 0 3 262.397 2.428 20 30 CEEDHN CC1/C(=C\c2ccc3c(c2)CCCO3)C(=O)c2ncnn21 ZINC000899380215 632821344 /nfs/dbraw/zinc/82/13/44/632821344.db2.gz FKOATCYKWMYSPB-SEEODLKFSA-N 0 3 281.315 2.444 20 30 CEEDHN c1cc2c(o1)CCCC2=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000814886121 632914435 /nfs/dbraw/zinc/91/44/35/632914435.db2.gz SCBACRJQEOHETL-CHWSQXEVSA-N 0 3 272.352 2.180 20 30 CEEDHN C[C@@H]1CNC(NN=C2CC(c3cc(F)cc(F)c3)C2)=N1 ZINC000814898163 632918494 /nfs/dbraw/zinc/91/84/94/632918494.db2.gz QXUXZLPKBSRYIJ-HNHGDDPOSA-N 0 3 278.306 2.136 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1cncs1 ZINC000815905756 633077627 /nfs/dbraw/zinc/07/76/27/633077627.db2.gz ZOWCDXNFXDMXDN-GFCCVEGCSA-N 0 3 293.392 2.091 20 30 CEEDHN CC[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1cccc(C#N)c1 ZINC000902875148 634866423 /nfs/dbraw/zinc/86/64/23/634866423.db2.gz LBFVEEFHVFHAPJ-GOEBONIOSA-N 0 3 283.375 2.362 20 30 CEEDHN C=CC[C@@H](NC(=O)[C@@H](CC)N(C)C)c1ccncc1 ZINC000840350859 633750721 /nfs/dbraw/zinc/75/07/21/633750721.db2.gz LUFHGHVRUNRKGX-ZIAGYGMSSA-N 0 3 261.369 2.155 20 30 CEEDHN C=CCN1CCC(NC(=O)C(C)(C)c2nccs2)CC1 ZINC000900599113 633778725 /nfs/dbraw/zinc/77/87/25/633778725.db2.gz NZMUHCKQBCQVGD-UHFFFAOYSA-N 0 3 293.436 2.187 20 30 CEEDHN N#C[C@@H](NC(=O)c1ccc(NC2=NCCC2)cc1)C1CC1 ZINC000900638724 633790009 /nfs/dbraw/zinc/79/00/09/633790009.db2.gz PQZDSDXWIXLJLQ-CQSZACIVSA-N 0 3 282.347 2.323 20 30 CEEDHN C[C@H](C#N)CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900651022 633792955 /nfs/dbraw/zinc/79/29/55/633792955.db2.gz UPWVTDPPQUALIJ-LLVKDONJSA-N 0 3 270.336 2.180 20 30 CEEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CNCCC2(F)F)cc1 ZINC000817980402 633823942 /nfs/dbraw/zinc/82/39/42/633823942.db2.gz LCLWMYWDUGMPNV-IUODEOHRSA-N 0 3 294.345 2.346 20 30 CEEDHN Cc1occc1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000818969543 634021627 /nfs/dbraw/zinc/02/16/27/634021627.db2.gz GLHIDGNERPLYNM-HNNXBMFYSA-N 0 3 256.305 2.283 20 30 CEEDHN C[C@@H](NC[C@H](O)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902794701 634836413 /nfs/dbraw/zinc/83/64/13/634836413.db2.gz YHQFQTRCOXFJDB-CZUORRHYSA-N 0 3 281.359 2.207 20 30 CEEDHN COC[C@@H](N[C@@H](C)c1cc(C#N)ccn1)C1CCOCC1 ZINC000903047687 634954720 /nfs/dbraw/zinc/95/47/20/634954720.db2.gz QDZHOJINMYTFEQ-BLLLJJGKSA-N 0 3 289.379 2.045 20 30 CEEDHN CC[C@@H](N[C@H]1C[C@H](S(C)(=O)=O)C1)c1cccc(C#N)c1 ZINC000903092574 634975047 /nfs/dbraw/zinc/97/50/47/634975047.db2.gz BUIAFRDIFBLALP-RBSFLKMASA-N 0 3 292.404 2.175 20 30 CEEDHN C#CCCOc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000822763503 634990194 /nfs/dbraw/zinc/99/01/94/634990194.db2.gz UWPXBHBTBRMBHI-HNNXBMFYSA-N 0 3 298.386 2.055 20 30 CEEDHN C=CCOCCN[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903147906 634995791 /nfs/dbraw/zinc/99/57/91/634995791.db2.gz UHSIBZXPKJECTQ-NSHDSACASA-N 0 3 280.324 2.457 20 30 CEEDHN Cc1cc(C#N)cc(C)c1C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000903284021 635036476 /nfs/dbraw/zinc/03/64/76/635036476.db2.gz UPVOAWRIWJVNFQ-MRXNPFEDSA-N 0 3 297.402 2.484 20 30 CEEDHN CC(C)N1CCC[C@@H]1C(=O)N(C)c1ccc(C#N)cc1 ZINC000903636384 635197938 /nfs/dbraw/zinc/19/79/38/635197938.db2.gz CGCDPZARGBUFIQ-OAHLLOKOSA-N 0 3 271.364 2.394 20 30 CEEDHN COC(=O)C1(C#N)CCN(CC2(OC)CCCCC2)CC1 ZINC000824871939 635517023 /nfs/dbraw/zinc/51/70/23/635517023.db2.gz MHIXHFSLNVFJFG-UHFFFAOYSA-N 0 3 294.395 2.114 20 30 CEEDHN C=CCCSCCNC(=O)[C@H]1CCCN1C(C)C ZINC000824910504 635522951 /nfs/dbraw/zinc/52/29/51/635522951.db2.gz RPPQNVGBOAMMQA-CYBMUJFWSA-N 0 3 270.442 2.285 20 30 CEEDHN CCN(C(=O)c1cc(C#N)ccc1C)[C@@H]1CCN(CC)C1 ZINC000825019379 635540863 /nfs/dbraw/zinc/54/08/63/635540863.db2.gz ZDQRGVRLYYQHAJ-OAHLLOKOSA-N 0 3 285.391 2.423 20 30 CEEDHN CCn1cnc(CNCCc2ccc(C#N)cc2)c1 ZINC000904438360 635636750 /nfs/dbraw/zinc/63/67/50/635636750.db2.gz WYCSDUZAOVLGQU-UHFFFAOYSA-N 0 3 254.337 2.107 20 30 CEEDHN COCCOc1ccccc1/C=C1/C(=O)c2ncnn2C1C ZINC000905081210 635797685 /nfs/dbraw/zinc/79/76/85/635797685.db2.gz PVYGKKKHIHWKAO-VSXLWIIGSA-N 0 3 299.330 2.144 20 30 CEEDHN CC1/C(=C/c2ccc3c(c2)CCO3)C(=O)c2ncnn21 ZINC000905081283 635797687 /nfs/dbraw/zinc/79/76/87/635797687.db2.gz QRBKJOPYJOCHHR-JBBGTMGVSA-N 0 3 267.288 2.054 20 30 CEEDHN CC1/C(=C/c2ccc(N(C)C)c(F)c2)C(=O)c2ncnn21 ZINC000905082793 635798337 /nfs/dbraw/zinc/79/83/37/635798337.db2.gz XDNXYKCKZGRNGF-ISAHRAOESA-N 0 3 286.310 2.324 20 30 CEEDHN CC1/C(=C\c2cccc3c2CCOC3)C(=O)c2ncnn21 ZINC000905083048 635798746 /nfs/dbraw/zinc/79/87/46/635798746.db2.gz AVYSOUAJMCNLCG-UQDQQJHMSA-N 0 3 281.315 2.192 20 30 CEEDHN CC1/C(=C\c2ccc(N(C)C)c(F)c2)C(=O)c2ncnn21 ZINC000905082795 635798793 /nfs/dbraw/zinc/79/87/93/635798793.db2.gz XDNXYKCKZGRNGF-VKRGWIQLSA-N 0 3 286.310 2.324 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H](C#C)C1CCOCC1 ZINC000827569451 636355281 /nfs/dbraw/zinc/35/52/81/636355281.db2.gz BALAMKVZTBODKH-KRWDZBQOSA-N 0 3 283.371 2.217 20 30 CEEDHN C#CCCN(CCOC)Cc1ccc(NC(C)=O)cc1 ZINC000827817740 636432793 /nfs/dbraw/zinc/43/27/93/636432793.db2.gz JCQHLQDADIZUQN-UHFFFAOYSA-N 0 3 274.364 2.117 20 30 CEEDHN CC[C@@H](N)c1cn(Cc2cc(Cl)cc(C#N)c2)nn1 ZINC000905837708 636478532 /nfs/dbraw/zinc/47/85/32/636478532.db2.gz KTSIMKLDLHNHDW-GFCCVEGCSA-N 0 3 275.743 2.261 20 30 CEEDHN C[C@@H](NCC[S@@](=O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000905906918 636518899 /nfs/dbraw/zinc/51/88/99/636518899.db2.gz UGAGBNSCKNJVBM-AYLIAGHASA-N 0 3 290.310 2.477 20 30 CEEDHN C[C@H](C#N)OCCN1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000828917981 636722551 /nfs/dbraw/zinc/72/25/51/636722551.db2.gz KLCSLFVICLDVOY-BFHYXJOUSA-N 0 3 296.411 2.215 20 30 CEEDHN C[C@H](CNC(=O)[C@]1(C#N)CC2CCC1CC2)N1CCCC1 ZINC000906577130 636795464 /nfs/dbraw/zinc/79/54/64/636795464.db2.gz JOOFUGAYXNPIAC-VXTDNTOSSA-N 0 3 289.423 2.307 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000829506222 636869925 /nfs/dbraw/zinc/86/99/25/636869925.db2.gz WGIYDAZFLIWWAC-PBFPGSCMSA-N 0 3 297.402 2.014 20 30 CEEDHN C#CC[C@H]1CCCN(CC(=O)NCCCCCC)C1 ZINC000829768851 636925174 /nfs/dbraw/zinc/92/51/74/636925174.db2.gz KXELHBBXWCJMEP-HNNXBMFYSA-N 0 3 264.413 2.418 20 30 CEEDHN C#CC[C@@H]1CCCN([C@H](CCC)C(=O)OCC)C1 ZINC000829784477 636928755 /nfs/dbraw/zinc/92/87/55/636928755.db2.gz KOYHFSNXVFCBHY-ZIAGYGMSSA-N 0 3 251.370 2.454 20 30 CEEDHN C#CC1CCN([C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000830311601 637032860 /nfs/dbraw/zinc/03/28/60/637032860.db2.gz QSZLPXWBGAVJPP-MRXNPFEDSA-N 0 3 270.376 2.161 20 30 CEEDHN N#Cc1sccc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000907764260 637117992 /nfs/dbraw/zinc/11/79/92/637117992.db2.gz VYXAOQCBXMBBAS-GFCCVEGCSA-N 0 3 289.404 2.366 20 30 CEEDHN N#CC1(CCN2CC[C@H]3COC(=O)N[C@@H]3C2)CCCCC1 ZINC000830900075 637195094 /nfs/dbraw/zinc/19/50/94/637195094.db2.gz DDSHWWSJSQRCNI-UONOGXRCSA-N 0 3 291.395 2.281 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1cccs1 ZINC000876554240 650322986 /nfs/dbraw/zinc/32/29/86/650322986.db2.gz HBBHECRLLPDWPT-JTQLQIEISA-N 0 3 258.774 2.176 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N[C@@H](C)CCCCC ZINC000831679369 637408768 /nfs/dbraw/zinc/40/87/68/637408768.db2.gz XFNAGJZITJBRDJ-MJBXVCDLSA-N 0 3 268.401 2.005 20 30 CEEDHN Cc1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1C#N ZINC000831785100 637432805 /nfs/dbraw/zinc/43/28/05/637432805.db2.gz MUIOSERWHGGIRC-UHFFFAOYSA-N 0 3 287.407 2.461 20 30 CEEDHN CC[C@@H]1CN(CC)CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000831965266 637469994 /nfs/dbraw/zinc/46/99/94/637469994.db2.gz UYGRVGSAHVWYEA-SJORKVTESA-N 0 3 287.407 2.008 20 30 CEEDHN N#CC1(CN2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)CC1 ZINC000832054397 637488624 /nfs/dbraw/zinc/48/86/24/637488624.db2.gz JMRVRKYFEYGBDZ-KGLIPLIRSA-N 0 3 276.380 2.298 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccccc1Cl ZINC000876575748 650340315 /nfs/dbraw/zinc/34/03/15/650340315.db2.gz RJKKGHGCPAATAW-LBPRGKRZSA-N 0 3 287.190 2.469 20 30 CEEDHN C=C(Br)CN[C@H]1CCC[C@H]1C(=O)OCC ZINC000832071707 637491905 /nfs/dbraw/zinc/49/19/05/637491905.db2.gz LENRXVWVQYXRDT-ZJUUUORDSA-N 0 3 276.174 2.216 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCCOc1ccccc1 ZINC000876602452 650354610 /nfs/dbraw/zinc/35/46/10/650354610.db2.gz OKKPINHDSCGSLT-AWEZNQCLSA-N 0 3 296.798 2.384 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(Cl)s1 ZINC000876600442 650354701 /nfs/dbraw/zinc/35/47/01/650354701.db2.gz ISOVWPQIDALZNF-MRVPVSSYSA-N 0 3 279.192 2.488 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccc(F)cc1F ZINC000876613133 650360061 /nfs/dbraw/zinc/36/00/61/650360061.db2.gz JFYFYNKRRKMIEI-LBPRGKRZSA-N 0 3 288.725 2.093 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCOc2ccccc21 ZINC000876633285 650367998 /nfs/dbraw/zinc/36/79/98/650367998.db2.gz QFXBDGLSRJQWNR-YPMHNXCESA-N 0 3 294.782 2.139 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCOc2ccccc21 ZINC000876633282 650368165 /nfs/dbraw/zinc/36/81/65/650368165.db2.gz QFXBDGLSRJQWNR-AAEUAGOBSA-N 0 3 294.782 2.139 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2ccccc2)CC1 ZINC000876642206 650372025 /nfs/dbraw/zinc/37/20/25/650372025.db2.gz ZMXGDQRYXDEPJY-LBPRGKRZSA-N 0 3 264.756 2.262 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1COc2c1ccc(C)c2C ZINC000876647326 650374006 /nfs/dbraw/zinc/37/40/06/650374006.db2.gz JGBBSIKYEAIHAA-CHWSQXEVSA-N 0 3 294.782 2.323 20 30 CEEDHN C[C@@H](Cc1cnccn1)NCc1cc(C#N)ccc1F ZINC000834673155 637915697 /nfs/dbraw/zinc/91/56/97/637915697.db2.gz OAGYJCMUEJKPIN-NSHDSACASA-N 0 3 270.311 2.208 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2ccc(OC)cc2)CC1 ZINC000876658081 650382434 /nfs/dbraw/zinc/38/24/34/650382434.db2.gz YHYNSNCMKLDKQG-ZDUSSCGKSA-N 0 3 294.782 2.270 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1cccc(F)c1F ZINC000876663493 650385819 /nfs/dbraw/zinc/38/58/19/650385819.db2.gz WMAGTWNHQHZKFH-LLVKDONJSA-N 0 3 288.725 2.093 20 30 CEEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000835063133 638044155 /nfs/dbraw/zinc/04/41/55/638044155.db2.gz HMPJHTYEYHILPG-OLZOCXBDSA-N 0 3 274.320 2.149 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000876681906 650396256 /nfs/dbraw/zinc/39/62/56/650396256.db2.gz BMQWEAHBHQWOMH-YDHLFZDLSA-N 0 3 278.783 2.303 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCOC[C@H]1c1ccccc1 ZINC000876686823 650398850 /nfs/dbraw/zinc/39/88/50/650398850.db2.gz BBRWTZVFJZIURU-KGLIPLIRSA-N 0 3 294.782 2.056 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H]3CCC3(F)F)CCC[C@H]12 ZINC000991293851 638203350 /nfs/dbraw/zinc/20/33/50/638203350.db2.gz AWOHCRUVESSEDQ-VNHYZAJKSA-N 0 3 296.361 2.168 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000911643727 638335493 /nfs/dbraw/zinc/33/54/93/638335493.db2.gz XDPVHIBKHYXMPJ-OLZOCXBDSA-N 0 3 277.368 2.330 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000912038984 638522337 /nfs/dbraw/zinc/52/23/37/638522337.db2.gz AAFZICPPSSOGRQ-AWEZNQCLSA-N 0 3 289.379 2.011 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000912044543 638532834 /nfs/dbraw/zinc/53/28/34/638532834.db2.gz WMLSAINKCZOHKD-ZDUSSCGKSA-N 0 3 290.363 2.470 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)NCc1cccc(F)c1 ZINC000912237309 638611118 /nfs/dbraw/zinc/61/11/18/638611118.db2.gz YETSWBRAVLBZGK-CYBMUJFWSA-N 0 3 250.317 2.126 20 30 CEEDHN C[Si](C)(C)C#CCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000912328322 638639829 /nfs/dbraw/zinc/63/98/29/638639829.db2.gz FWSKRDMEFHNEJK-CQSZACIVSA-N 0 3 278.472 2.000 20 30 CEEDHN CN(CC(=O)NCCC#C[Si](C)(C)C)CC(C)(C)C ZINC000912329913 638640653 /nfs/dbraw/zinc/64/06/53/638640653.db2.gz AJGFFIXTYJMPCG-UHFFFAOYSA-N 0 3 282.504 2.351 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCC(C)(C)C1=CCCC1 ZINC000836490965 638649016 /nfs/dbraw/zinc/64/90/16/638649016.db2.gz 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CO[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1)C1CCC1 ZINC000850760742 642777142 /nfs/dbraw/zinc/77/71/42/642777142.db2.gz WPTAHJWQRAJWTO-DZGCQCFKSA-N 0 3 286.331 2.149 20 30 CEEDHN C=CCOCCNCc1cn(C)nc1C1CCCC1 ZINC000921979103 642821705 /nfs/dbraw/zinc/82/17/05/642821705.db2.gz CYTTWPIEQVAUQH-UHFFFAOYSA-N 0 3 263.385 2.370 20 30 CEEDHN CCO[C@@H]1C[C@](CO)(NCc2csc(C#N)c2)C1(C)C ZINC000922037537 642851032 /nfs/dbraw/zinc/85/10/32/642851032.db2.gz HQHCUGPWNOJBBZ-UKRRQHHQSA-N 0 3 294.420 2.275 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(C)nc(C)c2)CC1 ZINC001002914657 642864048 /nfs/dbraw/zinc/86/40/48/642864048.db2.gz URXLQZYAACUNDM-UHFFFAOYSA-N 0 3 273.380 2.079 20 30 CEEDHN CC(C)(C)N1CC[C@H]1COC(=O)CC1(C#N)CCOCC1 ZINC000851105274 642917734 /nfs/dbraw/zinc/91/77/34/642917734.db2.gz STRAYJSUSQJKPJ-ZDUSSCGKSA-N 0 3 294.395 2.113 20 30 CEEDHN C=CCN1CCC(NC(=O)c2occc2Cl)CC1 ZINC001003564641 642954645 /nfs/dbraw/zinc/95/46/45/642954645.db2.gz UHGVDMPLGCAQCC-UHFFFAOYSA-N 0 3 268.744 2.313 20 30 CEEDHN 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N#CC(C(=O)C=Cc1ccc[nH]1)c1nnc2n1CCCCC2 ZINC000788081815 643429156 /nfs/dbraw/zinc/42/91/56/643429156.db2.gz UPHPDHREDWPABI-SBDDDAINSA-N 0 3 295.346 2.222 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cn(C(C)C)cn2)CC1 ZINC001005772065 643436674 /nfs/dbraw/zinc/43/66/74/643436674.db2.gz FLBYUOAEEGPCTL-UHFFFAOYSA-N 0 3 290.411 2.186 20 30 CEEDHN CC#CCCN1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852528344 643458004 /nfs/dbraw/zinc/45/80/04/643458004.db2.gz FASASOQFHSESTD-UHFFFAOYSA-N 0 3 278.396 2.389 20 30 CEEDHN CN(CC1=CCSC1)C[C@H](O)c1ccc(C#N)cc1 ZINC000852747457 643532037 /nfs/dbraw/zinc/53/20/37/643532037.db2.gz JGBWZPIPYUPHCR-HNNXBMFYSA-N 0 3 274.389 2.197 20 30 CEEDHN C#CCCN(CCOC)Cc1ccc(OC)c(F)c1 ZINC000852750888 643534584 /nfs/dbraw/zinc/53/45/84/643534584.db2.gz IPSRSVMJSQSSFJ-UHFFFAOYSA-N 0 3 265.328 2.306 20 30 CEEDHN COC(=O)NC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000852763222 643541980 /nfs/dbraw/zinc/54/19/80/643541980.db2.gz LRXIBBIJZPKHLO-UHFFFAOYSA-N 0 3 287.363 2.073 20 30 CEEDHN N#Cc1cnc(Cl)c(CN[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1 ZINC000877681868 650847603 /nfs/dbraw/zinc/84/76/03/650847603.db2.gz KTIVKVXKXVPSEB-JDCLNJACSA-N 0 3 289.766 2.120 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)C[C@@H]2C[C@@H]2C)CC1 ZINC001005929289 643565974 /nfs/dbraw/zinc/56/59/74/643565974.db2.gz JACRFCWKIONYMF-STQMWFEESA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2ocnc2C2CC2)CC1 ZINC001005983806 643603776 /nfs/dbraw/zinc/60/37/76/643603776.db2.gz KOJZLVYTLNVZNY-UHFFFAOYSA-N 0 3 289.379 2.274 20 30 CEEDHN Cc1c(CN(C)CCc2cccc(C#N)c2)cnn1C ZINC000877703823 650860599 /nfs/dbraw/zinc/86/05/99/650860599.db2.gz FDMXICJTSWZIPH-UHFFFAOYSA-N 0 3 268.364 2.275 20 30 CEEDHN C#CCN(C(=O)N[C@H]1CCCC12CC2)C1CCN(C)CC1 ZINC000923510941 643746280 /nfs/dbraw/zinc/74/62/80/643746280.db2.gz GQKBQXVOBKGMLE-HNNXBMFYSA-N 0 3 289.423 2.058 20 30 CEEDHN CC[C@@H](C)NN=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853336980 643747207 /nfs/dbraw/zinc/74/72/07/643747207.db2.gz AMRCSIAXCBWQGN-CYBMUJFWSA-N 0 3 275.396 2.370 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001006215663 643789483 /nfs/dbraw/zinc/78/94/83/643789483.db2.gz DNXHVEXBDJMLTC-LSDHHAIUSA-N 0 3 264.413 2.387 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cnn(C(C)C)c2)CC1 ZINC001006281245 643803254 /nfs/dbraw/zinc/80/32/54/643803254.db2.gz JZUZUWLAIYIRKD-UHFFFAOYSA-N 0 3 290.411 2.186 20 30 CEEDHN COC1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CC1 ZINC000842802853 643858767 /nfs/dbraw/zinc/85/87/67/643858767.db2.gz KFIRCSUOGNUJJR-VIFPVBQESA-N 0 3 284.237 2.456 20 30 CEEDHN C#C[C@H](CC)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000854077697 643979767 /nfs/dbraw/zinc/97/97/67/643979767.db2.gz ZJXQCBITFHGLML-CABCVRRESA-N 0 3 291.370 2.139 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@](C)(CC)C1 ZINC000838622330 643980928 /nfs/dbraw/zinc/98/09/28/643980928.db2.gz DVZFDNMBALUZOO-MRXNPFEDSA-N 0 3 279.428 2.163 20 30 CEEDHN C=CCONC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000838710608 644000547 /nfs/dbraw/zinc/00/05/47/644000547.db2.gz JIOJWRRXFZDFOE-GXTWGEPZSA-N 0 3 277.368 2.095 20 30 CEEDHN C=CCONC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000838713504 644002317 /nfs/dbraw/zinc/00/23/17/644002317.db2.gz OJOXVUNVDUUZHQ-UKRRQHHQSA-N 0 3 289.379 2.066 20 30 CEEDHN CO[C@@H](CN1CCN(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000877745430 650892030 /nfs/dbraw/zinc/89/20/30/650892030.db2.gz UOISTOOIWLMBAD-KRWDZBQOSA-N 0 3 285.391 2.105 20 30 CEEDHN CC(C)C#CC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000855032803 644236918 /nfs/dbraw/zinc/23/69/18/644236918.db2.gz VGIDWYKOVRRCCF-GOSISDBHSA-N 0 3 284.403 2.427 20 30 CEEDHN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1occc1C ZINC000753929750 644294627 /nfs/dbraw/zinc/29/46/27/644294627.db2.gz RUBWJWOMZOAZGY-TXEJJXNPSA-N 0 3 260.341 2.172 20 30 CEEDHN CC(C)N1CC(N=Nc2nccnc2Cl)[C@H](C)C1 ZINC000754256511 644347946 /nfs/dbraw/zinc/34/79/46/644347946.db2.gz ASQZOZBJDMLELE-SECBINFHSA-N 0 3 267.764 2.258 20 30 CEEDHN CC(C)N1CC(N=Nc2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000754257301 644348100 /nfs/dbraw/zinc/34/81/00/644348100.db2.gz HTOOZQBCGCOMOH-SNVBAGLBSA-N 0 3 277.328 2.118 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)CC1 ZINC000855566088 644392079 /nfs/dbraw/zinc/39/20/79/644392079.db2.gz HSZZEUSZEHCOQC-KBXCAEBGSA-N 0 3 296.414 2.176 20 30 CEEDHN C#C[C@H]1CC[C@H](NCc2cc(C(=O)OCC)no2)CC1 ZINC000877834385 650927007 /nfs/dbraw/zinc/92/70/07/650927007.db2.gz SLZNPSOZEOUSCR-HAQNSBGRSA-N 0 3 276.336 2.133 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccc(C#N)o1 ZINC000855899868 644521193 /nfs/dbraw/zinc/52/11/93/644521193.db2.gz WMBYFBLCTZMFHG-LBPRGKRZSA-N 0 3 275.352 2.001 20 30 CEEDHN C#CCN1CCC(C(=O)NC(C)(C2CC2)C2CC2)CC1 ZINC000856121191 644577454 /nfs/dbraw/zinc/57/74/54/644577454.db2.gz CMJDMFVQVFUYNC-UHFFFAOYSA-N 0 3 274.408 2.027 20 30 CEEDHN CC[C@@H]1CC[C@H](C(=O)C(C#N)c2cc(C)nc(C)n2)O1 ZINC000757306578 644754651 /nfs/dbraw/zinc/75/46/51/644754651.db2.gz SFYOMRUDHXNWBO-MBNYWOFBSA-N 0 3 273.336 2.227 20 30 CEEDHN C=CC[C@@H](C)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000877928951 650950195 /nfs/dbraw/zinc/95/01/95/650950195.db2.gz OASQLRAWAGOUBE-OAHLLOKOSA-N 0 3 284.407 2.417 20 30 CEEDHN Cc1cccc(COCC(=O)C(C#N)c2ccncn2)c1 ZINC000857019075 644786043 /nfs/dbraw/zinc/78/60/43/644786043.db2.gz PYWHHUZURAFGPQ-CQSZACIVSA-N 0 3 281.315 2.178 20 30 CEEDHN C[C@@H]1CC(=NNc2nc(=O)c3ccccc3[nH]2)CCN1C ZINC000757582920 644821253 /nfs/dbraw/zinc/82/12/53/644821253.db2.gz GQQOFPIQQGBWBI-SNVBAGLBSA-N 0 3 285.351 2.217 20 30 CEEDHN C=CCN(CC=C)C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000877957925 650958074 /nfs/dbraw/zinc/95/80/74/650958074.db2.gz HEIYHOSKWYRRGS-HZPDHXFCSA-N 0 3 261.365 2.145 20 30 CEEDHN C#CCN(C[C@H]1CCc2ncnn21)[C@H]1CCc2ccccc21 ZINC000877990207 650969200 /nfs/dbraw/zinc/96/92/00/650969200.db2.gz BCPKNVSFKIKHLT-WBVHZDCISA-N 0 3 292.386 2.388 20 30 CEEDHN C#CC[C@@H](CCOC)NCc1cccc2c1OCCCO2 ZINC000858333851 645120979 /nfs/dbraw/zinc/12/09/79/645120979.db2.gz OMECRVBKTQIXME-HNNXBMFYSA-N 0 3 289.375 2.366 20 30 CEEDHN C#CC[C@@H](COC)NCc1ccc(OC)c(OC(F)F)c1 ZINC000858336064 645124148 /nfs/dbraw/zinc/12/41/48/645124148.db2.gz UEGZGDCLGOJFEB-LBPRGKRZSA-N 0 3 299.317 2.425 20 30 CEEDHN N#CC(C(=O)c1cccc2cc[nH]c21)c1ccncn1 ZINC000760336355 645141516 /nfs/dbraw/zinc/14/15/16/645141516.db2.gz YOHDDVYYEPKGNW-LBPRGKRZSA-N 0 3 262.272 2.448 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1OCC(=O)C(C#N)c1ccncn1 ZINC000760360303 645148146 /nfs/dbraw/zinc/14/81/46/645148146.db2.gz XNWPUXYUOOHGGQ-XUJVJEKNSA-N 0 3 273.336 2.248 20 30 CEEDHN C[C@H]1CC(N=Nc2cnnc3ccccc23)CN1C ZINC000761808708 645319436 /nfs/dbraw/zinc/31/94/36/645319436.db2.gz DRZSINCPNBQAGG-JTQLQIEISA-N 0 3 255.325 2.122 20 30 CEEDHN C#CCNC(=O)CN[C@@H](CC)c1cc(C)ccc1C ZINC000859934880 645659007 /nfs/dbraw/zinc/65/90/07/645659007.db2.gz FSVMNXAMEFKSPO-HNNXBMFYSA-N 0 3 258.365 2.094 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000860463886 645797853 /nfs/dbraw/zinc/79/78/53/645797853.db2.gz JLXRTIWNYOLSBN-HTOAHKCRSA-N 0 3 294.395 2.061 20 30 CEEDHN Cc1cncn1CC(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000860844215 645920820 /nfs/dbraw/zinc/92/08/20/645920820.db2.gz FRFOQTASNOHRDO-LLVKDONJSA-N 0 3 286.360 2.402 20 30 CEEDHN CCON=Cc1ccc(N(CC)CCO)cc1C ZINC000767461953 645993983 /nfs/dbraw/zinc/99/39/83/645993983.db2.gz MBBUQLLFQVECTG-UHFFFAOYSA-N 0 3 250.342 2.184 20 30 CEEDHN C=C(C)[C@H](CC(=O)OC[C@@]1(C)C[C@@H](OC)CN1C)OCC ZINC000861347858 646137718 /nfs/dbraw/zinc/13/77/18/646137718.db2.gz ASPZKUZBQPJYBP-IJEWVQPXSA-N 0 3 299.411 2.010 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000769846394 646325823 /nfs/dbraw/zinc/32/58/23/646325823.db2.gz MCLKDAMBXFRCBX-IKGGRYGDSA-N 0 3 297.402 2.459 20 30 CEEDHN C#CC[C@H]1CCN(Cc2cc(C)c(C(=O)OC)o2)C1 ZINC000862448074 646465989 /nfs/dbraw/zinc/46/59/89/646465989.db2.gz WMJOBGVNPCQRQD-LBPRGKRZSA-N 0 3 261.321 2.220 20 30 CEEDHN CCN(C)c1ccc(C(C)=NNCC(C)(C)O)cc1 ZINC000863137910 646652378 /nfs/dbraw/zinc/65/23/78/646652378.db2.gz QNKPUCGJLDIFBJ-UHFFFAOYSA-N 0 3 263.385 2.227 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)Cc2ccco2)c1 ZINC000772644393 646653306 /nfs/dbraw/zinc/65/33/06/646653306.db2.gz HSTLKVJYFXURTO-CQSZACIVSA-N 0 3 282.299 2.478 20 30 CEEDHN COc1cccc(NC(=O)C(C#N)C(=O)Cc2ccco2)c1 ZINC000772645620 646654584 /nfs/dbraw/zinc/65/45/84/646654584.db2.gz NXPOINSZRPXRCY-AWEZNQCLSA-N 0 3 298.298 2.178 20 30 CEEDHN CCC(=NNc1ccnc(C)c1)c1cccc(OC)n1 ZINC000863160422 646658641 /nfs/dbraw/zinc/65/86/41/646658641.db2.gz DMXCGDDTRGTRPV-UHFFFAOYSA-N 0 3 270.336 2.442 20 30 CEEDHN CC(=O)OC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000774883563 646905964 /nfs/dbraw/zinc/90/59/64/646905964.db2.gz GLNKVHSNBJPEJA-UHFFFAOYSA-N 0 3 272.348 2.394 20 30 CEEDHN C#C[C@@H](C)N(C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000775182553 646928773 /nfs/dbraw/zinc/92/87/73/646928773.db2.gz CMYBLGOZYKEIIT-GFCCVEGCSA-N 0 3 256.349 2.049 20 30 CEEDHN CN(C)c1ccncc1C=Nn1cnnc1-c1ccccc1 ZINC000776186494 647033432 /nfs/dbraw/zinc/03/34/32/647033432.db2.gz YYUNVXMOMWKCPI-UHFFFAOYSA-N 0 3 292.346 2.288 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CNC[C@](C)(O)c1ccco1 ZINC000865474469 647313077 /nfs/dbraw/zinc/31/30/77/647313077.db2.gz HROUNKXUOUHFJH-KRWDZBQOSA-N 0 3 299.374 2.215 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cn(C2CC2)cn1 ZINC000865552860 647356829 /nfs/dbraw/zinc/35/68/29/647356829.db2.gz ITNVKTIVCJHMTD-SWLSCSKDSA-N 0 3 261.369 2.289 20 30 CEEDHN C[C@H]1CN=C(NN=C2CC(C)(C)c3ccccc32)N1 ZINC000779801802 647356872 /nfs/dbraw/zinc/35/68/72/647356872.db2.gz XWBJJBUEZKTPPM-JTQLQIEISA-N 0 3 256.353 2.009 20 30 CEEDHN C=CCCCCCNCc1cn(C[C@@H]2CCCO2)nn1 ZINC000865617854 647390315 /nfs/dbraw/zinc/39/03/15/647390315.db2.gz RSOLSXHRCJIZBA-HNNXBMFYSA-N 0 3 278.400 2.293 20 30 CEEDHN C#CC[C@@H](CCOC)NCc1cc2c(cc[nH]c2=O)o1 ZINC000865646061 647403578 /nfs/dbraw/zinc/40/35/78/647403578.db2.gz FEDPARBFCXIXBC-NSHDSACASA-N 0 3 274.320 2.051 20 30 CEEDHN C#Cc1cccc(NC(=O)CN(C)[C@H](C)C2CC2)c1 ZINC000780284792 647411375 /nfs/dbraw/zinc/41/13/75/647411375.db2.gz APWMJOUUXFNAPN-GFCCVEGCSA-N 0 3 256.349 2.337 20 30 CEEDHN C#CCCCCCC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000780543175 647441498 /nfs/dbraw/zinc/44/14/98/647441498.db2.gz JSMLXCVTARIONG-MRXNPFEDSA-N 0 3 294.439 2.139 20 30 CEEDHN C=CCCn1cc(CNC[C@@H]2CCC23CCOCC3)nn1 ZINC000865776610 647460565 /nfs/dbraw/zinc/46/05/65/647460565.db2.gz CRXZCDRUERTSDC-AWEZNQCLSA-N 0 3 290.411 2.151 20 30 CEEDHN Cc1nocc1CN[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000865847003 647491400 /nfs/dbraw/zinc/49/14/00/647491400.db2.gz CTRDKUYXAWHELY-OAHLLOKOSA-N 0 3 253.305 2.112 20 30 CEEDHN CC(C)C[C@H](NCC(=O)NCCC#N)c1ccccc1 ZINC000782840535 647658852 /nfs/dbraw/zinc/65/88/52/647658852.db2.gz IAUUZEABRHUWHJ-HNNXBMFYSA-N 0 3 273.380 2.393 20 30 CEEDHN C[C@@H](C#N)OCCN1C[C@H](C)C[C@H]1c1cccnc1 ZINC000805749065 647741750 /nfs/dbraw/zinc/74/17/50/647741750.db2.gz JMEXMBDDEUSYAU-IPYPFGDCSA-N 0 3 259.353 2.393 20 30 CEEDHN N#Cc1ccc2c(c1)C[C@@H](N[C@H]1CCCn3ccnc31)C2 ZINC000866616714 647843438 /nfs/dbraw/zinc/84/34/38/647843438.db2.gz SZZGWRXEULLBHE-HOTGVXAUSA-N 0 3 278.359 2.347 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000923604333 647956352 /nfs/dbraw/zinc/95/63/52/647956352.db2.gz FVTOWCFQKWIAQJ-OLZOCXBDSA-N 0 3 267.417 2.371 20 30 CEEDHN N#CC(C(=O)NCc1ccc(F)cc1F)C(=O)C1CCC1 ZINC000786554304 648027092 /nfs/dbraw/zinc/02/70/92/648027092.db2.gz MKSLXVCGQBXLAB-GFCCVEGCSA-N 0 3 292.285 2.090 20 30 CEEDHN CN(C)c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1F ZINC000868051211 648035514 /nfs/dbraw/zinc/03/55/14/648035514.db2.gz JCBSDDPQANCMQE-CYBMUJFWSA-N 0 3 292.358 2.241 20 30 CEEDHN C#CCOCCN[C@@H](COC)c1ccc(Cl)cc1 ZINC000786909576 648055504 /nfs/dbraw/zinc/05/55/04/648055504.db2.gz FTEXPJICBDSCHN-AWEZNQCLSA-N 0 3 267.756 2.267 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC2(CCCC2)C1 ZINC000787254362 648091147 /nfs/dbraw/zinc/09/11/47/648091147.db2.gz ZAECZOFRWWGREP-ZDUSSCGKSA-N 0 3 275.396 2.203 20 30 CEEDHN C[C@H]1C[C@@H](C(C)(C)C)CCN1CC(=O)NCCC#N ZINC000805839262 648111499 /nfs/dbraw/zinc/11/14/99/648111499.db2.gz PAGZWATYZSDZQH-STQMWFEESA-N 0 3 265.401 2.163 20 30 CEEDHN C#CCC1(C(=O)NC[C@H]2CCCN2C)CCCCC1 ZINC000788172592 648159650 /nfs/dbraw/zinc/15/96/50/648159650.db2.gz OJUHXZCIZQQUHX-CQSZACIVSA-N 0 3 262.397 2.171 20 30 CEEDHN C#CCC1(C(=O)N[C@H]2CCN(C3CC3)C2)CCCCC1 ZINC000788170967 648159783 /nfs/dbraw/zinc/15/97/83/648159783.db2.gz CBXQXDNYITXXFN-AWEZNQCLSA-N 0 3 274.408 2.313 20 30 CEEDHN COC(=O)[C@@H]1CC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000792200404 648624903 /nfs/dbraw/zinc/62/49/03/648624903.db2.gz IIKRECBQNPGFQL-DGCLKSJQSA-N 0 3 276.311 2.129 20 30 CEEDHN C[C@H](NN=Cc1ccc(N(C)CCO)cc1)C(C)(C)C ZINC000793113864 648709507 /nfs/dbraw/zinc/70/95/07/648709507.db2.gz HLUHISJFFKICMO-ZDUSSCGKSA-N 0 3 277.412 2.473 20 30 CEEDHN C#CC(C)(C)N(C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000794578871 648887707 /nfs/dbraw/zinc/88/77/07/648887707.db2.gz LQFXIGBWHYFONU-CYBMUJFWSA-N 0 3 281.783 2.423 20 30 CEEDHN C[C@H](Nc1cc2n(n1)CCN(C)C2)c1cccc(C#N)c1 ZINC000871926035 649217810 /nfs/dbraw/zinc/21/78/10/649217810.db2.gz DKKAHQHDFTYUJW-LBPRGKRZSA-N 0 3 281.363 2.373 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@H](O)CC(C)(C)O ZINC000871972581 649232510 /nfs/dbraw/zinc/23/25/10/649232510.db2.gz MLEZSYFJLOCIAX-OAHLLOKOSA-N 0 3 263.381 2.197 20 30 CEEDHN C=CC[C@@H](CO)C[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872053367 649255663 /nfs/dbraw/zinc/25/56/63/649255663.db2.gz JFHXEAFXVIOQNM-GHMZBOCLSA-N 0 3 253.317 2.367 20 30 CEEDHN Fc1ccc(C#CCN[C@]23CCC[C@H]2OCC3)cc1 ZINC000872315472 649354625 /nfs/dbraw/zinc/35/46/25/649354625.db2.gz VKNHWEVQNCAZDD-CVEARBPZSA-N 0 3 259.324 2.478 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@H](O)CC1(O)CCCC1 ZINC000878386653 651083295 /nfs/dbraw/zinc/08/32/95/651083295.db2.gz VGTCPUPZHQOGRQ-OAHLLOKOSA-N 0 3 293.407 2.366 20 30 CEEDHN C=C/C=C\CCN1CCN(c2cccc(C#N)n2)CC1 ZINC000878433364 651095170 /nfs/dbraw/zinc/09/51/70/651095170.db2.gz AIRHQQOSTAVIMF-ARJAWSKDSA-N 0 3 268.364 2.208 20 30 CEEDHN C=CC[C@H](C)N1CCN(c2ccc(OC)cn2)CC1 ZINC000878692037 651165531 /nfs/dbraw/zinc/16/55/31/651165531.db2.gz VACSBMFHJQJKPQ-ZDUSSCGKSA-N 0 3 261.369 2.177 20 30 CEEDHN C=CCCCN1CCC(F)(F)[C@@H](C(=O)OCC)C1 ZINC000879370620 651293678 /nfs/dbraw/zinc/29/36/78/651293678.db2.gz UHYXAXKEHNPKIP-LLVKDONJSA-N 0 3 261.312 2.473 20 30 CEEDHN N#Cc1ccc(N2CCN(CCCCCCO)CC2)cc1 ZINC000879585914 651327667 /nfs/dbraw/zinc/32/76/67/651327667.db2.gz RALSVXQJRRTBGI-UHFFFAOYSA-N 0 3 287.407 2.233 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C(C)(C)O)CC1 ZINC000879626557 651332948 /nfs/dbraw/zinc/33/29/48/651332948.db2.gz YGBBUUKZXLMOAI-AWEZNQCLSA-N 0 3 296.455 2.282 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651098 651335805 /nfs/dbraw/zinc/33/58/05/651335805.db2.gz HYJZGNGJVGBVTK-STQMWFEESA-N 0 3 289.379 2.051 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@]2(CCc3ccccc32)C1 ZINC000879994526 651370769 /nfs/dbraw/zinc/37/07/69/651370769.db2.gz HCNJMKUZXLUHKW-KBXCAEBGSA-N 0 3 284.403 2.267 20 30 CEEDHN C=CCN1CCC(Cc2ncc(C(=O)OC)s2)CC1 ZINC000880271606 651413417 /nfs/dbraw/zinc/41/34/17/651413417.db2.gz IIVNYPQPHFNSDV-UHFFFAOYSA-N 0 3 280.393 2.370 20 30 CEEDHN C=CCCC[C@H](NCC(=O)NC(=O)NC)c1ccccc1 ZINC000880387808 651434589 /nfs/dbraw/zinc/43/45/89/651434589.db2.gz DVMAUZJPILGQDR-AWEZNQCLSA-N 0 3 289.379 2.129 20 30 CEEDHN C#CCC1(O)CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000880478957 651447791 /nfs/dbraw/zinc/44/77/91/651447791.db2.gz IKTOJDLOSHNTBR-CQSZACIVSA-N 0 3 268.360 2.469 20 30 CEEDHN Cc1nc(C#N)cc(NC[C@@H]2CCCCN2C2CC2)n1 ZINC000882269310 652014923 /nfs/dbraw/zinc/01/49/23/652014923.db2.gz KQLZOWZHOUWDLV-AWEZNQCLSA-N 0 3 271.368 2.086 20 30 CEEDHN CCN1CC[C@H]1CNc1cccc(-n2cccn2)c1C#N ZINC000882959585 652289939 /nfs/dbraw/zinc/28/99/39/652289939.db2.gz KHJIQSOXROZXEN-ZDUSSCGKSA-N 0 3 281.363 2.250 20 30 CEEDHN C#Cc1ccc(CNCc2cc(C(=O)OC)c(C)n2C)cc1 ZINC000883132387 652373341 /nfs/dbraw/zinc/37/33/41/652373341.db2.gz POYZSFOOBOUYOU-UHFFFAOYSA-N 0 3 296.370 2.391 20 30 CEEDHN C=CCC[C@@H](COc1ccccc1)NCC(=O)N(C)CC ZINC000883217878 652402915 /nfs/dbraw/zinc/40/29/15/652402915.db2.gz PMBWLNCYFUDGLP-HNNXBMFYSA-N 0 3 290.407 2.468 20 30 CEEDHN CC(C)(C)N(CCCC(C)(C)C#N)CCS(C)(=O)=O ZINC000131548529 652434626 /nfs/dbraw/zinc/43/46/26/652434626.db2.gz RYIFTPJDNLYJLU-UHFFFAOYSA-N 0 3 288.457 2.461 20 30 CEEDHN CCN(C(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccccc1 ZINC000884044622 652655767 /nfs/dbraw/zinc/65/57/67/652655767.db2.gz OPRGNTSBDIITNO-UUCFBXCCSA-N 0 3 283.375 2.179 20 30 CEEDHN CC(C)(C)[C@@H]1CCCN1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884122752 652716400 /nfs/dbraw/zinc/71/64/00/652716400.db2.gz YMFLSRRHANFSNZ-DLOXAQCQSA-N 0 3 289.423 2.163 20 30 CEEDHN CC(C)N(CC1CCC1)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884335188 652799622 /nfs/dbraw/zinc/79/96/22/652799622.db2.gz MQZSHRCYKLNVGM-CKDBGZEDSA-N 0 3 289.423 2.163 20 30 CEEDHN C#CCN1CCC[C@H](Nc2ccncc2C(F)(F)F)C1 ZINC000884610055 652942227 /nfs/dbraw/zinc/94/22/27/652942227.db2.gz CEJVJVRYAAYCBD-NSHDSACASA-N 0 3 283.297 2.032 20 30 CEEDHN Cc1cnc(N2CCN(C3CCCC3)CC2)c(C=NO)c1 ZINC001165032666 721858750 /nfs/dbraw/zinc/85/87/50/721858750.db2.gz YIYQOSOFLAXPOT-UHFFFAOYSA-N 0 3 288.395 2.263 20 30 CEEDHN C#CCCCCC(=O)NCC1(C)CCN(CC#C)CC1 ZINC001270873888 805639867 /nfs/dbraw/zinc/63/98/67/805639867.db2.gz FSBLQAGVLMGFSF-UHFFFAOYSA-N 0 3 274.408 2.032 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2cc[nH]c2CC)[C@H]1CC ZINC001087561799 805747771 /nfs/dbraw/zinc/74/77/71/805747771.db2.gz OEKFTSQTIJDMIK-LSDHHAIUSA-N 0 3 275.396 2.346 20 30 CEEDHN C#Cc1cncc(C(=O)N[C@H]2CCN(CC(=C)C)[C@@H]2CC)c1 ZINC001087718905 805779144 /nfs/dbraw/zinc/77/91/44/805779144.db2.gz PPFHAMIWMDIDEE-DLBZAZTESA-N 0 3 297.402 2.222 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC)[C@H]1CC ZINC001087732712 805783351 /nfs/dbraw/zinc/78/33/51/805783351.db2.gz KYZBYRSDPRGORS-YIYPIFLZSA-N 0 3 250.386 2.188 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)/C=C\c3ccco3)C2)C1 ZINC001040043690 805809070 /nfs/dbraw/zinc/80/90/70/805809070.db2.gz NAKNJPKFGJNFNV-MJRGOJFPSA-N 0 3 298.386 2.241 20 30 CEEDHN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCC)C1 ZINC001029466424 805861122 /nfs/dbraw/zinc/86/11/22/805861122.db2.gz PXWLUGYVDSLSKP-OKILXGFUSA-N 0 3 262.397 2.428 20 30 CEEDHN CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001271247408 805902024 /nfs/dbraw/zinc/90/20/24/805902024.db2.gz RGZPIJSCFCYSQT-AWEZNQCLSA-N 0 3 288.391 2.150 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cc(C)co3)C[C@@H]2C1 ZINC001088075461 805909106 /nfs/dbraw/zinc/90/91/06/805909106.db2.gz JZEZVZRRDRQJDD-CABCVRRESA-N 0 3 286.375 2.005 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cc[nH]c3C(C)C)C[C@@H]2C1 ZINC001088076731 805911719 /nfs/dbraw/zinc/91/17/19/805911719.db2.gz RZWGRZBPZAQLSZ-CABCVRRESA-N 0 3 299.418 2.165 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)[C@H](C)C(C)C)C[C@@H]2C1 ZINC001088127550 805941600 /nfs/dbraw/zinc/94/16/00/805941600.db2.gz DUUHIASKRZOXKK-OAGGEKHMSA-N 0 3 276.424 2.082 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cccc(C)c3C)C[C@@H]2C1 ZINC001088188352 805967806 /nfs/dbraw/zinc/96/78/06/805967806.db2.gz WSXOOWWUIFUBFH-SJORKVTESA-N 0 3 296.414 2.331 20 30 CEEDHN C=C(Cl)CN[C@H](CNC(=O)/C(C)=C/C)C(C)C ZINC001271821376 806103623 /nfs/dbraw/zinc/10/36/23/806103623.db2.gz NXWUQYPBOFNABU-GCZGVDRJSA-N 0 3 258.793 2.436 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(F)cc2)[C@H]1C ZINC001088447505 806235615 /nfs/dbraw/zinc/23/56/15/806235615.db2.gz MZGXKQHAMXDHFN-DOMZBBRYSA-N 0 3 274.339 2.042 20 30 CEEDHN C=CCN(C)CCN(C)C(=O)c1ccc(-n2ccnc2)cc1 ZINC001272076039 806438504 /nfs/dbraw/zinc/43/85/04/806438504.db2.gz PNZZWXPXFSBART-UHFFFAOYSA-N 0 3 298.390 2.062 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cccnc2C2CC2)[C@H]1C ZINC001088705160 806672586 /nfs/dbraw/zinc/67/25/86/806672586.db2.gz YXZUZPVRRKOBFI-CJNGLKHVSA-N 0 3 297.402 2.175 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cncc(CC)c2)[C@H]1C ZINC001088747857 806692502 /nfs/dbraw/zinc/69/25/02/806692502.db2.gz APXOLNXQLYEEAA-CJNGLKHVSA-N 0 3 287.407 2.413 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2nccc3occc32)[C@H]1C ZINC001088762893 806709172 /nfs/dbraw/zinc/70/91/72/806709172.db2.gz ARMYXCHPHRZYLG-OCCSQVGLSA-N 0 3 297.358 2.044 20 30 CEEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cccn3C(C)C)[C@@H]2C1 ZINC001076579704 806861098 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C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1cccc1 ZINC001032739394 808819318 /nfs/dbraw/zinc/81/93/18/808819318.db2.gz BIFTVFHLUWUUTH-JYJNAYRXSA-N 0 3 287.407 2.300 20 30 CEEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)C2CCC2)[C@H](OC)C1 ZINC001212448271 808982225 /nfs/dbraw/zinc/98/22/25/808982225.db2.gz FTPFECCUJAHLLN-NUEKZKHPSA-N 0 3 294.439 2.204 20 30 CEEDHN C=C(C)CCN1CC[C@@H](N(C)C(=O)C(C)(F)F)C1 ZINC001032871863 809098536 /nfs/dbraw/zinc/09/85/36/809098536.db2.gz MZKSJACCUURQQP-LLVKDONJSA-N 0 3 260.328 2.141 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001032986314 809138768 /nfs/dbraw/zinc/13/87/68/809138768.db2.gz HJAQAZIYZBEFFH-CYBMUJFWSA-N 0 3 276.424 2.225 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2OCC[C@H]2C(C)C)C1 ZINC001033087768 809172141 /nfs/dbraw/zinc/17/21/41/809172141.db2.gz HFABQKJWJZNCKJ-JYJNAYRXSA-N 0 3 294.439 2.156 20 30 CEEDHN Cc1cncc(CNC2(CNC(=O)C#CC(C)C)CCC2)c1 ZINC001273077443 809202451 /nfs/dbraw/zinc/20/24/51/809202451.db2.gz 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/nfs/dbraw/zinc/28/89/68/809288968.db2.gz GFLMCEOHWZLLAR-CQSZACIVSA-N 0 3 275.396 2.056 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)C2CCC(F)(F)CC2)C1 ZINC001033457715 809308523 /nfs/dbraw/zinc/30/85/23/809308523.db2.gz WBIWJKKQZUVNII-AWEZNQCLSA-N 0 3 298.377 2.368 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C)[nH]c2C)C1 ZINC001033459441 809309018 /nfs/dbraw/zinc/30/90/18/809309018.db2.gz KRRSSCNMFLWZOA-CQSZACIVSA-N 0 3 275.396 2.354 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(C)ccc2F)C1 ZINC001033458366 809309424 /nfs/dbraw/zinc/30/94/24/809309424.db2.gz YGHMEYGVMACLEQ-CQSZACIVSA-N 0 3 288.366 2.304 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2CCC(F)(F)CC2)C1 ZINC001033457716 809309531 /nfs/dbraw/zinc/30/95/31/809309531.db2.gz WBIWJKKQZUVNII-CQSZACIVSA-N 0 3 298.377 2.368 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001033563863 809341490 /nfs/dbraw/zinc/34/14/90/809341490.db2.gz WESKGYPMWRKAQK-GJZGRUSLSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2oc(CC)cc2C)C1 ZINC001033587024 809347706 /nfs/dbraw/zinc/34/77/06/809347706.db2.gz DDPRKWFDPJUKAB-AWEZNQCLSA-N 0 3 288.391 2.320 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(C)ccc2C)C1 ZINC001033618750 809362918 /nfs/dbraw/zinc/36/29/18/809362918.db2.gz XKGFNBQJNJYJPX-MRXNPFEDSA-N 0 3 284.403 2.473 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(F)cc2)C1 ZINC001033732234 809397905 /nfs/dbraw/zinc/39/79/05/809397905.db2.gz IPQXECABMZOXGH-INIZCTEOSA-N 0 3 288.366 2.385 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C)oc2C)C1 ZINC001033749579 809403536 /nfs/dbraw/zinc/40/35/36/809403536.db2.gz JDXNOJFMLJGUOD-OAHLLOKOSA-N 0 3 288.391 2.456 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2oc(C)cc2C)C1 ZINC001033785789 809414842 /nfs/dbraw/zinc/41/48/42/809414842.db2.gz NNKSBAWVVVNXEO-OAHLLOKOSA-N 0 3 288.391 2.456 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2nccn2CC)C1 ZINC001033811960 809423049 /nfs/dbraw/zinc/42/30/49/809423049.db2.gz GXNVVXQBWPCWMC-CQSZACIVSA-N 0 3 290.411 2.016 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2c(C)coc2C)C1 ZINC001033817430 809427014 /nfs/dbraw/zinc/42/70/14/809427014.db2.gz SLJFSCWFXVWQCF-OAHLLOKOSA-N 0 3 288.391 2.456 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ncc(C)cc2C)C1 ZINC001033911613 809450344 /nfs/dbraw/zinc/45/03/44/809450344.db2.gz QLRIMOFKCJDYTP-INIZCTEOSA-N 0 3 299.418 2.258 20 30 CEEDHN C=CCN1CC[C@H](N(CC)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001033917966 809453085 /nfs/dbraw/zinc/45/30/85/809453085.db2.gz YARDTRLLSYGARE-AWEZNQCLSA-N 0 3 290.411 2.085 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)C2CCC(F)CC2)C1 ZINC001033950197 809459580 /nfs/dbraw/zinc/45/95/80/809459580.db2.gz MSHBUMSKWIHWLO-GPANFISMSA-N 0 3 294.414 2.461 20 30 CEEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2cnoc2CC)C1 ZINC001033973941 809466966 /nfs/dbraw/zinc/46/69/66/809466966.db2.gz KPDAXMRVCZAOTL-CYBMUJFWSA-N 0 3 291.395 2.350 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc3c([nH]2)CCC3)C1 ZINC001034011397 809476953 /nfs/dbraw/zinc/47/69/53/809476953.db2.gz GSBSOYUVLFFMEJ-HNNXBMFYSA-N 0 3 299.418 2.063 20 30 CEEDHN CN1C[C@@H]2CN(c3nc(Cl)c(C#N)s3)C[C@]2(C)C1 ZINC000702390459 809545002 /nfs/dbraw/zinc/54/50/02/809545002.db2.gz DRSUAXNDDKQQFR-PELKAZGASA-N 0 3 282.800 2.056 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC001034219310 809554692 /nfs/dbraw/zinc/55/46/92/809554692.db2.gz MTEKLOQRDAZDHJ-CQSZACIVSA-N 0 3 261.369 2.175 20 30 CEEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnoc2CC)C1 ZINC001034423413 809602325 /nfs/dbraw/zinc/60/23/25/809602325.db2.gz IKHMIEGVRUTLDO-CYBMUJFWSA-N 0 3 291.395 2.397 20 30 CEEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ncccc2F)C1 ZINC001034459587 809612794 /nfs/dbraw/zinc/61/27/94/809612794.db2.gz WILASXJIXSXSRV-ZDUSSCGKSA-N 0 3 291.370 2.381 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3nccn3c2)C1 ZINC001034489356 809620369 /nfs/dbraw/zinc/62/03/69/809620369.db2.gz YKQOHUOIDBEKDF-OAHLLOKOSA-N 0 3 298.390 2.105 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1cncs1 ZINC001035015316 809732256 /nfs/dbraw/zinc/73/22/56/809732256.db2.gz ZYNDUZVFWDVVPL-GFCCVEGCSA-N 0 3 293.436 2.436 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccco1)CC2 ZINC001035638358 809798540 /nfs/dbraw/zinc/79/85/40/809798540.db2.gz QQGOJKFPZCZYAO-UHFFFAOYSA-N 0 3 274.364 2.394 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](F)C(C)C)CC2 ZINC001035775211 809816809 /nfs/dbraw/zinc/81/68/09/809816809.db2.gz QWHOKWIPPCVOEL-AWEZNQCLSA-N 0 3 282.403 2.481 20 30 CEEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1ccc[nH]1)CC2 ZINC001035852329 809822047 /nfs/dbraw/zinc/82/20/47/809822047.db2.gz ATXPWSWWEGCQIX-UHFFFAOYSA-N 0 3 287.407 2.058 20 30 CEEDHN CC#CCNC1(CNC(=O)C2(C(C)(F)F)CC2)CCC1 ZINC001273154423 810054463 /nfs/dbraw/zinc/05/44/63/810054463.db2.gz NPZUZOKMOXKIDY-UHFFFAOYSA-N 0 3 284.350 2.074 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001079459529 810210425 /nfs/dbraw/zinc/21/04/25/810210425.db2.gz XXQQMQRTVOPLCV-UKRRQHHQSA-N 0 3 262.397 2.499 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccnn2C(C)C)C1 ZINC001079768799 810232245 /nfs/dbraw/zinc/23/22/45/810232245.db2.gz 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/nfs/dbraw/zinc/26/34/51/810263451.db2.gz IQWDLHGGUBDJKO-ZDUSSCGKSA-N 0 3 276.405 2.192 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001080279503 810266938 /nfs/dbraw/zinc/26/69/38/810266938.db2.gz ZQSLLSKQKBUISC-IIAWOOMASA-N 0 3 262.397 2.355 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001015302758 810277108 /nfs/dbraw/zinc/27/71/08/810277108.db2.gz HHQIZJBKNNAAOR-GFCCVEGCSA-N 0 3 285.347 2.208 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001080718905 810306064 /nfs/dbraw/zinc/30/60/64/810306064.db2.gz HYGKDAAOILPDJW-HZSPNIEDSA-N 0 3 262.397 2.189 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccn(CC)c2C)C1 ZINC001015593623 810312295 /nfs/dbraw/zinc/31/22/95/810312295.db2.gz BRWKECXWUYLDLI-AWEZNQCLSA-N 0 3 275.396 2.197 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001015595418 810313536 /nfs/dbraw/zinc/31/35/36/810313536.db2.gz OYCYHRCQNCNCSW-UKRRQHHQSA-N 0 3 298.386 2.010 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001015630766 810321318 /nfs/dbraw/zinc/32/13/18/810321318.db2.gz FVZHYLZYHGNJRI-LBPRGKRZSA-N 0 3 294.757 2.307 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001015649014 810323719 /nfs/dbraw/zinc/32/37/19/810323719.db2.gz WZYUKBDUDBYXFF-INIZCTEOSA-N 0 3 293.370 2.062 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)C2CCOCC2)C1 ZINC001081063280 810328654 /nfs/dbraw/zinc/32/86/54/810328654.db2.gz DUJAFFKAQLEXMN-IIAWOOMASA-N 0 3 294.439 2.062 20 30 CEEDHN C=CCN(CCc1ccccc1)C(=O)[C@H](N)CCSC ZINC001121858950 815361753 /nfs/dbraw/zinc/36/17/53/815361753.db2.gz YSGMWZZXUZZCTD-OAHLLOKOSA-N 0 3 292.448 2.324 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001015721009 810339457 /nfs/dbraw/zinc/33/94/57/810339457.db2.gz WPTNVZGKAZWMMK-HNNXBMFYSA-N 0 3 297.402 2.095 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](C)C2CCC2)[C@H](OC)C1 ZINC001081843473 810351720 /nfs/dbraw/zinc/35/17/20/810351720.db2.gz YLPTWDRSNWNVKU-NUEKZKHPSA-N 0 3 294.439 2.204 20 30 CEEDHN CC(=O)N1CCC2(CN([C@H](C)Cc3ccc(C#N)cc3)C2)C1 ZINC001172308241 815365088 /nfs/dbraw/zinc/36/50/88/815365088.db2.gz VMBSWXAUTKMGHC-CQSZACIVSA-N 0 3 297.402 2.043 20 30 CEEDHN C=CCCN1CC[C@@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001015953176 810379506 /nfs/dbraw/zinc/37/95/06/810379506.db2.gz IXYUHNAZZSVULU-GFCCVEGCSA-N 0 3 277.368 2.178 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2cccc(OC)c2)C1 ZINC001016169186 810407826 /nfs/dbraw/zinc/40/78/26/810407826.db2.gz SBSDMLUHNYRDPD-OAHLLOKOSA-N 0 3 288.391 2.004 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001016168271 810408067 /nfs/dbraw/zinc/40/80/67/810408067.db2.gz NJEQQCAAXXPLRG-MRXNPFEDSA-N 0 3 270.376 2.131 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001016188904 810409752 /nfs/dbraw/zinc/40/97/52/810409752.db2.gz UUDXXBUTFCGKPP-CQSZACIVSA-N 0 3 290.794 2.096 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001172314689 815368050 /nfs/dbraw/zinc/36/80/50/815368050.db2.gz 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/nfs/dbraw/zinc/45/62/46/810456246.db2.gz ZLSPAHGPOICAAL-OAHLLOKOSA-N 0 3 286.375 2.196 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001016776796 810466852 /nfs/dbraw/zinc/46/68/52/810466852.db2.gz HHYHZZXRMOEEQC-GJZGRUSLSA-N 0 3 288.435 2.417 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C(C)(C)C)CC1 ZINC001016942658 810478362 /nfs/dbraw/zinc/47/83/62/810478362.db2.gz IPVDTHQZEYGNNJ-CYBMUJFWSA-N 0 3 262.397 2.027 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CC34CCC4)[C@@H]2C1 ZINC001084689633 810500859 /nfs/dbraw/zinc/50/08/59/810500859.db2.gz MHOGEEMFLOBJKR-QLFBSQMISA-N 0 3 274.408 2.285 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)[C@@H](C)C3CCCC3)[C@@H]2C1 ZINC001084767741 810515983 /nfs/dbraw/zinc/51/59/83/810515983.db2.gz HVNUUBUGBIGNNI-USXIJHARSA-N 0 3 288.435 2.369 20 30 CEEDHN C[C@H]1CCCN(C(=O)CCNCc2csc(C#N)c2)C1 ZINC001119677481 810533901 /nfs/dbraw/zinc/53/39/01/810533901.db2.gz HUSUYOOQJSEMTH-LBPRGKRZSA-N 0 3 291.420 2.358 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC001122026313 815378373 /nfs/dbraw/zinc/37/83/73/815378373.db2.gz AZURJTALOUSLJL-RISCZKNCSA-N 0 3 292.379 2.262 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cccc1 ZINC001018095725 810588266 /nfs/dbraw/zinc/58/82/66/810588266.db2.gz RAIXVKABAPISIW-IYBDPMFKSA-N 0 3 287.407 2.130 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C2(C)CCC(F)(F)CC2)C1 ZINC001019056155 810673808 /nfs/dbraw/zinc/67/38/08/810673808.db2.gz MAEGOMKVMXIOFT-LBPRGKRZSA-N 0 3 284.350 2.026 20 30 CEEDHN C=CCOc1ccc(C(=O)N2CC[C@H](NCCF)C2)cc1 ZINC001019053941 810674563 /nfs/dbraw/zinc/67/45/63/810674563.db2.gz QEFLQGJLQNCEFA-AWEZNQCLSA-N 0 3 292.354 2.025 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2c(C)cccc2Cl)C1 ZINC001019330229 810700543 /nfs/dbraw/zinc/70/05/43/810700543.db2.gz SUHDOYZECCXAPN-LBPRGKRZSA-N 0 3 276.767 2.086 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001019463969 810713338 /nfs/dbraw/zinc/71/33/38/810713338.db2.gz WHJBURZNKXVQRD-CVEARBPZSA-N 0 3 284.403 2.312 20 30 CEEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NCCF)cc1 ZINC001085293445 810717528 /nfs/dbraw/zinc/71/75/28/810717528.db2.gz JHSNASRGXBOWCU-HZPDHXFCSA-N 0 3 288.366 2.268 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cccn2C2CCCC2)C1 ZINC001019569421 810720748 /nfs/dbraw/zinc/72/07/48/810720748.db2.gz KXJLPUAEBCHWPT-AWEZNQCLSA-N 0 3 285.391 2.041 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C(C)C)[nH]n1 ZINC001122207276 815392420 /nfs/dbraw/zinc/39/24/20/815392420.db2.gz CYLZVRPGXSHVEV-JTQLQIEISA-N 0 3 250.346 2.155 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc(C)c(CC)s2)C1 ZINC001019748310 810736374 /nfs/dbraw/zinc/73/63/74/810736374.db2.gz VRHBJWLZSSCPGQ-LBPRGKRZSA-N 0 3 276.405 2.056 20 30 CEEDHN CC1/C(=C/c2ccnn2CC2CCC2)C(=O)c2ncnn21 ZINC000828330309 810804512 /nfs/dbraw/zinc/80/45/12/810804512.db2.gz GDHXYCULVYOEQV-BNDQCTAISA-N 0 3 283.335 2.116 20 30 CEEDHN C=CCn1cccc1C(=O)NC[C@@H]1CCN1CCC(=C)C ZINC001038346646 810828854 /nfs/dbraw/zinc/82/88/54/810828854.db2.gz YVWJOXVPRZRLTI-HNNXBMFYSA-N 0 3 287.407 2.444 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NC[C@H]1CCC=CCCC1 ZINC001122296537 815401101 /nfs/dbraw/zinc/40/11/01/815401101.db2.gz AHOWKUXQSRJBIH-KBPBESRZSA-N 0 3 263.385 2.260 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCOCC1 ZINC001085571699 810834135 /nfs/dbraw/zinc/83/41/35/810834135.db2.gz JBKBVNPOLNHGRQ-HOTGVXAUSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc2cccn2cn1 ZINC001085668591 810868277 /nfs/dbraw/zinc/86/82/77/810868277.db2.gz HBMNSEFBQGPFHX-OAHLLOKOSA-N 0 3 298.390 2.057 20 30 CEEDHN C[C@H]1COC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000829430977 810870736 /nfs/dbraw/zinc/87/07/36/810870736.db2.gz FGEBPGTWDSDMBQ-TVQRCGJNSA-N 0 3 250.729 2.336 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cc[nH]c1CCC ZINC001038615564 810875392 /nfs/dbraw/zinc/87/53/92/810875392.db2.gz IDQUARWEOPTFHG-CYBMUJFWSA-N 0 3 275.396 2.347 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)c(C)cn1 ZINC001085734370 810894278 /nfs/dbraw/zinc/89/42/78/810894278.db2.gz FTSUFZQFSXJOTQ-OAHLLOKOSA-N 0 3 287.407 2.421 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cc2ccccn2c1 ZINC001038768365 810910510 /nfs/dbraw/zinc/91/05/10/810910510.db2.gz MVOKDMRJKYITPP-MRXNPFEDSA-N 0 3 283.375 2.320 20 30 CEEDHN Cc1ccc2[nH]cc(CCNC(=O)[C@H](N)CCCC#N)c2c1 ZINC001122381409 815407303 /nfs/dbraw/zinc/40/73/03/815407303.db2.gz XONWBSQKMNQHRJ-OAHLLOKOSA-N 0 3 298.390 2.156 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1conc1C ZINC001085797068 810920874 /nfs/dbraw/zinc/92/08/74/810920874.db2.gz GVGSOHKKGKHIFD-CYBMUJFWSA-N 0 3 277.368 2.096 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnn(C(F)F)c1 ZINC001085894451 810958873 /nfs/dbraw/zinc/95/88/73/810958873.db2.gz BCKSTFBPEFCXMK-LBPRGKRZSA-N 0 3 298.337 2.001 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2CCC2)C1 ZINC001086009626 811005772 /nfs/dbraw/zinc/00/57/72/811005772.db2.gz QDJDSFICWMJBAS-KLPPZKSPSA-N 0 3 256.777 2.023 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)SC ZINC001039359560 811017378 /nfs/dbraw/zinc/01/73/78/811017378.db2.gz CFACCQDKGJETJP-ILXRZTDVSA-N 0 3 294.464 2.217 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)C=CCC1 ZINC001039417804 811025610 /nfs/dbraw/zinc/02/56/10/811025610.db2.gz YNVMZAMPXLQLCX-RYRKJORJSA-N 0 3 286.419 2.431 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1CC ZINC001039469369 811036698 /nfs/dbraw/zinc/03/66/98/811036698.db2.gz CKINLYQZTVKYLN-CVEARBPZSA-N 0 3 299.418 2.210 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)C2CCCC2)s1 ZINC001122481213 815417063 /nfs/dbraw/zinc/41/70/63/815417063.db2.gz VPAAAGOWOAFHAI-UHFFFAOYSA-N 0 3 277.393 2.016 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2nc(C)oc2C)C1 ZINC001086230583 811068168 /nfs/dbraw/zinc/06/81/68/811068168.db2.gz RJMBLQQJXCTMNT-TXEJJXNPSA-N 0 3 297.786 2.142 20 30 CEEDHN CC#CCN1CCC[C@]2(CCN(C(=O)/C=C/C3CC3)C2)C1 ZINC001040131875 811091336 /nfs/dbraw/zinc/09/13/36/811091336.db2.gz CKKHWOHEOSMRHN-DVBCCOPCSA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)[C@H](CC)SC)C2)C1 ZINC001040165402 811092994 /nfs/dbraw/zinc/09/29/94/811092994.db2.gz LNRRSXKKZMYXMM-GOEBONIOSA-N 0 3 294.464 2.076 20 30 CEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)CC(C)(F)F)C2)C1 ZINC001040376555 811108137 /nfs/dbraw/zinc/10/81/37/811108137.db2.gz PLHFUOFSNKTBDT-MRXNPFEDSA-N 0 3 298.377 2.370 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)c3occc3C)C2)C1 ZINC001041073382 811142675 /nfs/dbraw/zinc/14/26/75/811142675.db2.gz QNQJTPLNJXSTSS-KRWDZBQOSA-N 0 3 286.375 2.149 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)C3(C4CC4)CCC3)C2)C1 ZINC001041512579 811169958 /nfs/dbraw/zinc/16/99/58/811169958.db2.gz NWJDXGYUOFDJHR-QGZVFWFLSA-N 0 3 286.419 2.124 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@H]3CCC3(C)C)C2)C1 ZINC001041576281 811177036 /nfs/dbraw/zinc/17/70/36/811177036.db2.gz GRCWSWQIJYENTF-CRAIPNDOSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC001041623216 811181168 /nfs/dbraw/zinc/18/11/68/811181168.db2.gz ODIMDIQLEAKURV-QGZVFWFLSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)C3CCC(=C)CC3)C2)C1 ZINC001041636012 811182691 /nfs/dbraw/zinc/18/26/91/811182691.db2.gz OYWPBLLCOKIUHF-GOSISDBHSA-N 0 3 286.419 2.290 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3cccc(C)n3)C[C@H]21 ZINC001041936312 811219554 /nfs/dbraw/zinc/21/95/54/811219554.db2.gz ZZTNCSUOSIRKPG-GOEBONIOSA-N 0 3 285.391 2.112 20 30 CEEDHN C#CCN1CC[C@H]2CCN(C(=O)CC(C)(C)C3CC3)C[C@@H]21 ZINC001042046502 811238208 /nfs/dbraw/zinc/23/82/08/811238208.db2.gz MGQNXHQBMKFMRG-HOCLYGCPSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(C(F)F)CC3)C[C@H]21 ZINC001042060936 811240146 /nfs/dbraw/zinc/24/01/46/811240146.db2.gz BGIOMAGNZWWSSE-VXGBXAGGSA-N 0 3 284.350 2.141 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ncc(C)cc3C)C[C@@H]21 ZINC001042163121 811248181 /nfs/dbraw/zinc/24/81/81/811248181.db2.gz OPKBYDOWODGIRP-CVEARBPZSA-N 0 3 299.418 2.421 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cncc(CC)c3)C[C@@H]21 ZINC001042157317 811249692 /nfs/dbraw/zinc/24/96/92/811249692.db2.gz PKWQDHRJYXXDAW-WBVHZDCISA-N 0 3 299.418 2.366 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(C)CCC3)C[C@H]21 ZINC001042182450 811252325 /nfs/dbraw/zinc/25/23/25/811252325.db2.gz LIZZWUYAYGWEPE-ZIAGYGMSSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3nc(C)oc3C)C[C@@H]21 ZINC001042285622 811266525 /nfs/dbraw/zinc/26/65/25/811266525.db2.gz PPVDDPMVUXRKMB-KGLIPLIRSA-N 0 3 289.379 2.014 20 30 CEEDHN CCN1CCC(NC(C)=CC(=O)C(F)(F)F)CC1 ZINC001169230261 811443994 /nfs/dbraw/zinc/44/39/94/811443994.db2.gz UNGKPCMVJNQHQG-HJWRWDBZSA-N 0 3 264.291 2.096 20 30 CEEDHN C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001169236490 811454863 /nfs/dbraw/zinc/45/48/63/811454863.db2.gz JPBDQGLARYMDIW-CQSZACIVSA-N 0 3 288.391 2.294 20 30 CEEDHN CCN(CC)C(=O)C[C@H](C)NCC#Cc1ccccc1 ZINC001169444277 811512274 /nfs/dbraw/zinc/51/22/74/811512274.db2.gz NOELJQGGASJSDP-HNNXBMFYSA-N 0 3 272.392 2.275 20 30 CEEDHN [NH3+]Cc1ccc2c(n1)N(c1cccc(/C=N/[O-])c1)CCC2 ZINC001169590724 811578043 /nfs/dbraw/zinc/57/80/43/811578043.db2.gz LSFKFDUYIJCOSV-WOJGMQOQSA-N 0 3 282.347 2.433 20 30 CEEDHN CC1(NC(=O)C2CC2)CCN(Cc2cccc(C#N)c2)CC1 ZINC001045338578 811593766 /nfs/dbraw/zinc/59/37/66/811593766.db2.gz FKHJXTLSLJMEOM-UHFFFAOYSA-N 0 3 297.402 2.439 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cncc(C)c2)CC1 ZINC001045397866 811606165 /nfs/dbraw/zinc/60/61/65/811606165.db2.gz RIHMXUPJHUQDNP-UHFFFAOYSA-N 0 3 273.380 2.160 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2ncc(F)cc2F)CC1 ZINC001045477587 811616701 /nfs/dbraw/zinc/61/67/01/811616701.db2.gz GMXRDKYPDMZXFJ-UHFFFAOYSA-N 0 3 295.333 2.130 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cccc3c[nH]nc32)CC1 ZINC001045520405 811620343 /nfs/dbraw/zinc/62/03/43/811620343.db2.gz BBBXJKCSPOZBNZ-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN CC(C)[C@@H]1C[C@H]1C(=O)NCCCNCc1ccccc1C#N ZINC001169693375 811624229 /nfs/dbraw/zinc/62/42/29/811624229.db2.gz SLFSBSLOLYYVMP-DLBZAZTESA-N 0 3 299.418 2.446 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC13CC3)C2 ZINC001096063637 811671547 /nfs/dbraw/zinc/67/15/47/811671547.db2.gz OZTVNKXNCDAAEW-MQYQWHSLSA-N 0 3 260.381 2.084 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC13CC3)C2 ZINC001096063638 811671603 /nfs/dbraw/zinc/67/16/03/811671603.db2.gz OZTVNKXNCDAAEW-RFGFWPKPSA-N 0 3 260.381 2.084 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2cc(C)oc2C)C1 ZINC001046136639 811692847 /nfs/dbraw/zinc/69/28/47/811692847.db2.gz XCFJLKSHHIBGME-INIZCTEOSA-N 0 3 274.364 2.114 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(C)nc(C)c2)C1 ZINC001046348573 811740850 /nfs/dbraw/zinc/74/08/50/811740850.db2.gz OEPTVZLFCUFXSA-KRWDZBQOSA-N 0 3 287.407 2.469 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccn3ccnc3c2)C1 ZINC001046481205 811761762 /nfs/dbraw/zinc/76/17/62/811761762.db2.gz JEUDEEMGNRPGTG-QGZVFWFLSA-N 0 3 298.390 2.105 20 30 CEEDHN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C\c1ccco1)C2 ZINC001108871709 811784015 /nfs/dbraw/zinc/78/40/15/811784015.db2.gz KNBJTCDZJNXJPT-UYVRXBDASA-N 0 3 272.348 2.200 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2CC23CCC3)C1 ZINC001046662441 811795346 /nfs/dbraw/zinc/79/53/46/811795346.db2.gz QRXFCEMRDSNRBA-ZFWWWQNUSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)c2cc3ccccn3c2)C1 ZINC001046671032 811796799 /nfs/dbraw/zinc/79/67/99/811796799.db2.gz LOQUBNCLTUURJM-KRWDZBQOSA-N 0 3 283.375 2.320 20 30 CEEDHN COC(=O)[C@H]1CCC[C@H](NCC2(C#N)CCCC2)C1 ZINC001172585891 815476987 /nfs/dbraw/zinc/47/69/87/815476987.db2.gz IDOKZPXVVKGBPL-STQMWFEESA-N 0 3 264.369 2.392 20 30 CEEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(/C)CC)C2 ZINC001109245615 811851756 /nfs/dbraw/zinc/85/17/56/811851756.db2.gz VMEDBVODIKPAKQ-PLUDAVOASA-N 0 3 292.423 2.267 20 30 CEEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)[C@H](F)CC)C2)CC1 ZINC001047251277 811873328 /nfs/dbraw/zinc/87/33/28/811873328.db2.gz HWHCIXUVBODJHC-HZPDHXFCSA-N 0 3 294.414 2.318 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(F)F)C2 ZINC001109537302 811903689 /nfs/dbraw/zinc/90/36/89/811903689.db2.gz HWQHXNHJQIFFKM-NDBYEHHHSA-N 0 3 284.350 2.023 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)COC)C2 ZINC001109552060 811904858 /nfs/dbraw/zinc/90/48/58/811904858.db2.gz ATQJNIVYSCPGGX-ILXRZTDVSA-N 0 3 294.439 2.347 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CC(F)(F)C1)C2 ZINC001096319547 811954777 /nfs/dbraw/zinc/95/47/77/811954777.db2.gz GFEJNUKNDHGSPT-AGIUHOORSA-N 0 3 296.361 2.167 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCC[C@@H]3CCC)C[C@@H]2C1 ZINC001048903732 812041153 /nfs/dbraw/zinc/04/11/53/812041153.db2.gz LYDJLAIFZAFJRN-MWDXBVQZSA-N 0 3 288.435 2.226 20 30 CEEDHN C=CCC[C@H](C)N1CCN(C(=O)/C(C)=C/C)CC1 ZINC001112757288 812057432 /nfs/dbraw/zinc/05/74/32/812057432.db2.gz KXHIPQYOJSQDJS-BLXFFLACSA-N 0 3 250.386 2.452 20 30 CEEDHN C#CCCCC(=O)N1CCN(CC2CCCC2)CC1 ZINC001112799348 812070482 /nfs/dbraw/zinc/07/04/82/812070482.db2.gz CMKOBIMNRLHNEH-UHFFFAOYSA-N 0 3 262.397 2.124 20 30 CEEDHN C=CCC[C@H](C)N1CCN(C(=O)CC2(COC)CC2)CC1 ZINC001112840722 812084571 /nfs/dbraw/zinc/08/45/71/812084571.db2.gz ORDYRNGSPGMICQ-HNNXBMFYSA-N 0 3 294.439 2.302 20 30 CEEDHN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)no1 ZINC001049320307 812116733 /nfs/dbraw/zinc/11/67/33/812116733.db2.gz HSBPRGVWUGAFOQ-KBPBESRZSA-N 0 3 289.379 2.238 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)C[C@@H]2C=CCC2)s1 ZINC001123323808 815503512 /nfs/dbraw/zinc/50/35/12/815503512.db2.gz UGEURKHMKKINQU-GFCCVEGCSA-N 0 3 289.404 2.182 20 30 CEEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)n1cccc1 ZINC001049420936 812143625 /nfs/dbraw/zinc/14/36/25/812143625.db2.gz AAPAQBMHDYBAEM-HRCADAONSA-N 0 3 287.407 2.300 20 30 CEEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[C@@H]1C(F)F ZINC001049444550 812148364 /nfs/dbraw/zinc/14/83/64/812148364.db2.gz YWHGPEBDOXNWPP-RVMXOQNASA-N 0 3 284.350 2.139 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn1CC)C2 ZINC001096551640 812160402 /nfs/dbraw/zinc/16/04/02/812160402.db2.gz IYPXKSUOZIMSJU-ILXRZTDVSA-N 0 3 287.407 2.419 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1CC ZINC001049738434 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C#CCCN1C[C@@H](NC(=O)c2ccc(C#C)cc2)CC[C@@H]1C ZINC001071731454 813471709 /nfs/dbraw/zinc/47/17/09/813471709.db2.gz DPYFEXMGXHSHLQ-YJBOKZPZSA-N 0 3 294.398 2.274 20 30 CEEDHN C#Cc1cncc(C(=O)N[C@H]2CC[C@@H](C)N(CC(=C)C)C2)c1 ZINC001071813463 813491246 /nfs/dbraw/zinc/49/12/46/813491246.db2.gz ATHKWBWNCGRYKC-PBHICJAKSA-N 0 3 297.402 2.222 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2c[nH]cc2C)CC[C@@H]1C ZINC001072078779 813539996 /nfs/dbraw/zinc/53/99/96/813539996.db2.gz KKMLPJQXVQKPHK-KBPBESRZSA-N 0 3 275.396 2.482 20 30 CEEDHN CC[C@H](C)[C@H](C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001135858931 813547060 /nfs/dbraw/zinc/54/70/60/813547060.db2.gz GXDDLWAGWCNANJ-KBPBESRZSA-N 0 3 287.407 2.446 20 30 CEEDHN CC[C@H](C)[C@H](C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001135863943 813549802 /nfs/dbraw/zinc/54/98/02/813549802.db2.gz POXXIPCHMCGAHN-KBPBESRZSA-N 0 3 287.407 2.446 20 30 CEEDHN CC(=O)N1CC[C@@H](C)[C@H](CNCc2ccccc2C#N)C1 ZINC001072142133 813551342 /nfs/dbraw/zinc/55/13/42/813551342.db2.gz VPKRIJSJFMKFGY-CXAGYDPISA-N 0 3 285.391 2.152 20 30 CEEDHN CCCC(=O)N1CC2(C1)CCN(Cc1ccc(C#N)cc1)C2 ZINC001072397665 813583081 /nfs/dbraw/zinc/58/30/81/813583081.db2.gz KWDWKCXVZWWJGE-UHFFFAOYSA-N 0 3 297.402 2.393 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C3(c4ccccc4)CC3)C2)C1 ZINC001073404078 813749771 /nfs/dbraw/zinc/74/97/71/813749771.db2.gz OUQPLMCFYCTFOG-UHFFFAOYSA-N 0 3 296.414 2.439 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)CCc3ccc(C)o3)C2)C1 ZINC001073455252 813753481 /nfs/dbraw/zinc/75/34/81/813753481.db2.gz FDHSUZMDTRKFPD-UHFFFAOYSA-N 0 3 288.391 2.241 20 30 CEEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001073738497 813777040 /nfs/dbraw/zinc/77/70/40/813777040.db2.gz AAAKFQGDIHXVCH-GJZGRUSLSA-N 0 3 294.439 2.206 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2cccc(C)n2)C1 ZINC001090929308 813896095 /nfs/dbraw/zinc/89/60/95/813896095.db2.gz IGYKZRYNMPDWNC-UHFFFAOYSA-N 0 3 293.798 2.241 20 30 CEEDHN C=CCN1CCC2(CC1)CN(C(=O)C(C)(C)C)C[C@H](C)O2 ZINC001098656575 813932446 /nfs/dbraw/zinc/93/24/46/813932446.db2.gz TVTFOOGSLPSBJS-AWEZNQCLSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)n2cccc2)C1 ZINC001098791421 813950109 /nfs/dbraw/zinc/95/01/09/813950109.db2.gz UMWRBMFEIASTDQ-ZOBUZTSGSA-N 0 3 287.407 2.206 20 30 CEEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)OC ZINC001098953226 813966417 /nfs/dbraw/zinc/96/64/17/813966417.db2.gz PUAWHOHVHDFLEZ-CABCVRRESA-N 0 3 294.439 2.042 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](COCC3CC3)C2)nc1 ZINC001144163613 813966759 /nfs/dbraw/zinc/96/67/59/813966759.db2.gz MUVVAJLFBMLUAZ-HNNXBMFYSA-N 0 3 271.364 2.202 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ccc(F)cn2)C1 ZINC001090992631 813966877 /nfs/dbraw/zinc/96/68/77/813966877.db2.gz GZSJGUIZZRSBFW-UHFFFAOYSA-N 0 3 297.761 2.071 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCCC(C)C)[C@H](O)C1 ZINC001100048982 814055482 /nfs/dbraw/zinc/05/54/82/814055482.db2.gz VJSFXTWKSSHEQD-HZPDHXFCSA-N 0 3 296.455 2.330 20 30 CEEDHN C[C@H](Cc1cccc(C#N)c1)N[C@H](C(N)=O)c1ccccc1 ZINC001171181031 814068388 /nfs/dbraw/zinc/06/83/88/814068388.db2.gz GQADTNKKARLVEG-DYVFJYSZSA-N 0 3 293.370 2.305 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)C2(C(F)F)CC2)C1 ZINC001100332111 814098820 /nfs/dbraw/zinc/09/88/20/814098820.db2.gz ZQDHTLONOUKWOC-UHFFFAOYSA-N 0 3 292.757 2.269 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)CC2(C)CC2)C1 ZINC001100518219 814139700 /nfs/dbraw/zinc/13/97/00/814139700.db2.gz WEFQQOPDDMMBLS-UHFFFAOYSA-N 0 3 270.804 2.414 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)N1CC2(C1)CCOC2 ZINC001171204406 814148100 /nfs/dbraw/zinc/14/81/00/814148100.db2.gz XIADSDDGQUSWST-ZDUSSCGKSA-N 0 3 256.349 2.212 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H](C)CC(C)C)C[C@]2(C)C1 ZINC001101408240 814256710 /nfs/dbraw/zinc/25/67/10/814256710.db2.gz SDBOIKBFSYBEDU-JZXOWHBKSA-N 0 3 290.451 2.472 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)/C=C(/C)C3CC3)C[C@]2(C)C1 ZINC001091516070 814257657 /nfs/dbraw/zinc/25/76/57/814257657.db2.gz MJLNXRQMDMSYCY-WPZHGYICSA-N 0 3 286.419 2.146 20 30 CEEDHN CC#CCNCCNC(=O)c1[nH]c2ccc(C)cc2c1C ZINC001146289392 814273927 /nfs/dbraw/zinc/27/39/27/814273927.db2.gz XYCAXSLQGVHSRB-UHFFFAOYSA-N 0 3 283.375 2.127 20 30 CEEDHN C=CCN1CCC[C@H]1CNc1ncncc1CCC ZINC001160953142 814285496 /nfs/dbraw/zinc/28/54/96/814285496.db2.gz STTBMIXTUCFVIA-AWEZNQCLSA-N 0 3 260.385 2.491 20 30 CEEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CN(CCF)C[C@H]1C ZINC001102262492 814373839 /nfs/dbraw/zinc/37/38/39/814373839.db2.gz BIJIRIJABSVLLV-MGPQQGTHSA-N 0 3 270.392 2.242 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C(C)(C)CC(F)F)C2)C1 ZINC001147711267 814485782 /nfs/dbraw/zinc/48/57/82/814485782.db2.gz LTLMJTWMECYYOH-UHFFFAOYSA-N 0 3 298.377 2.225 20 30 CEEDHN CC#CCNCCNC(=O)[C@H](C)CCC(C)(C)C ZINC001147791640 814498718 /nfs/dbraw/zinc/49/87/18/814498718.db2.gz PXTDEYTWUIFWOH-CYBMUJFWSA-N 0 3 252.402 2.178 20 30 CEEDHN CC#CCNCCNC(=O)c1cccc(C2CCC2)c1 ZINC001147841328 814504625 /nfs/dbraw/zinc/50/46/25/814504625.db2.gz FJIPKWRIYIAUFK-UHFFFAOYSA-N 0 3 270.376 2.297 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NCCNCc1csc(C)c1 ZINC001124489024 815619235 /nfs/dbraw/zinc/61/92/35/815619235.db2.gz XAIHRRBSAZMBSO-CYBMUJFWSA-N 0 3 296.436 2.244 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCC(C)(F)F)C1 ZINC001111793610 814608279 /nfs/dbraw/zinc/60/82/79/814608279.db2.gz DDOMXWLZHJSZBM-WFASDCNBSA-N 0 3 284.350 2.026 20 30 CEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C[C@H](C)C(F)(F)F ZINC001273445640 814633926 /nfs/dbraw/zinc/63/39/26/814633926.db2.gz KCGHRPSGFPUFAQ-QJPTWQEYSA-N 0 3 290.329 2.436 20 30 CEEDHN CCCCCCC[C@H](C)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000697279835 814646009 /nfs/dbraw/zinc/64/60/09/814646009.db2.gz WIUGOTLIKHSNSP-IHRRRGAJSA-N 0 3 291.457 2.137 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)/C(C)=C\C)C2)CC1 ZINC001086914814 814646118 /nfs/dbraw/zinc/64/61/18/814646118.db2.gz UAAOGPLACQASEF-XXUROBRHSA-N 0 3 274.408 2.289 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc(CC)s2)[C@H](C)C1 ZINC001092793746 814727867 /nfs/dbraw/zinc/72/78/67/814727867.db2.gz BEMJZZJNLVPIIW-CHWSQXEVSA-N 0 3 290.432 2.241 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CC[C@H]2CCCC[C@@H]2C1)C1CC1 ZINC001115820406 814757759 /nfs/dbraw/zinc/75/77/59/814757759.db2.gz ISASJYBRELLJMN-CKEIUWERSA-N 0 3 289.423 2.307 20 30 CEEDHN C=CCO[C@@H]1CCN(Cc2ccccc2OCCOC)C1 ZINC001116576360 814866775 /nfs/dbraw/zinc/86/67/75/814866775.db2.gz WQADCYTUWDUBAK-MRXNPFEDSA-N 0 3 291.391 2.489 20 30 CEEDHN C#CCN1C[C@@H](CNC(=O)c2ccc(Cl)s2)[C@H](C)C1 ZINC001093176447 814876884 /nfs/dbraw/zinc/87/68/84/814876884.db2.gz IYHOYALQVUHBRH-GHMZBOCLSA-N 0 3 296.823 2.332 20 30 CEEDHN COc1cccc2c1C[C@H](N1CCC(S)CC1)CO2 ZINC001173162906 815612509 /nfs/dbraw/zinc/61/25/09/815612509.db2.gz AKMFUURZBQXMNC-NSHDSACASA-N 0 3 279.405 2.393 20 30 CEEDHN C=CCCC(=O)NCCNCc1ccc(C)c(F)c1 ZINC001124640811 815624594 /nfs/dbraw/zinc/62/45/94/815624594.db2.gz QAWYQKLLTRNESQ-UHFFFAOYSA-N 0 3 264.344 2.306 20 30 CEEDHN COc1ccc(CN2CCN3CCCC[C@@H]3C2)c(C#N)c1 ZINC001137703897 815668217 /nfs/dbraw/zinc/66/82/17/815668217.db2.gz YFOZHDGZABLBIU-MRXNPFEDSA-N 0 3 285.391 2.237 20 30 CEEDHN COc1ccc(CN2C[C@@H](C)N(C)[C@@H](C)C2)c(C#N)c1 ZINC001137704773 815670003 /nfs/dbraw/zinc/67/00/03/815670003.db2.gz VBTUCSMYXVDKFS-BETUJISGSA-N 0 3 273.380 2.091 20 30 CEEDHN CC1(C#N)CCC(N2CCN(c3cnccn3)CC2)CC1 ZINC001173591973 815755045 /nfs/dbraw/zinc/75/50/45/815755045.db2.gz AUBFLOAZXLMVDS-UHFFFAOYSA-N 0 3 285.395 2.071 20 30 CEEDHN CCOC(=O)[C@@H]1CC12CCC(NCCC#N)CC2 ZINC001173597294 815756978 /nfs/dbraw/zinc/75/69/78/815756978.db2.gz OLMQDCCLTSHXHV-LXVYMNJGSA-N 0 3 250.342 2.002 20 30 CEEDHN C#CCOc1ccc(CN2C[C@H](O)CC[C@H]2C)cc1OC ZINC001138342711 815772023 /nfs/dbraw/zinc/77/20/23/815772023.db2.gz BGGCLAPGJZKRSV-UKRRQHHQSA-N 0 3 289.375 2.052 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCOCC1)C2 ZINC001095249399 815787211 /nfs/dbraw/zinc/78/72/11/815787211.db2.gz XWRWRDCPPQPXSZ-PMPSAXMXSA-N 0 3 292.423 2.101 20 30 CEEDHN C#CCOc1ccc(CN2CC(N3CCCCC3)C2)cc1 ZINC001138557597 815828067 /nfs/dbraw/zinc/82/80/67/815828067.db2.gz MWWPESIBAKRSFU-UHFFFAOYSA-N 0 3 284.403 2.369 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c1[O-] ZINC001138625193 815845335 /nfs/dbraw/zinc/84/53/35/815845335.db2.gz GZPSDAVVUOPJIT-DOMZBBRYSA-N 0 3 261.365 2.323 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c1[O-] ZINC001138625193 815845343 /nfs/dbraw/zinc/84/53/43/815845343.db2.gz GZPSDAVVUOPJIT-DOMZBBRYSA-N 0 3 261.365 2.323 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@]23CCOC3)c1[O-] ZINC001138630863 815849825 /nfs/dbraw/zinc/84/98/25/815849825.db2.gz FQZPBCQEXFXBQR-MRXNPFEDSA-N 0 3 259.349 2.486 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@]23CCOC3)c1[O-] ZINC001138630863 815849831 /nfs/dbraw/zinc/84/98/31/815849831.db2.gz FQZPBCQEXFXBQR-MRXNPFEDSA-N 0 3 259.349 2.486 20 30 CEEDHN CN(C)Cc1ccccc1Nc1c(C#N)cnn1C ZINC001173929799 815863336 /nfs/dbraw/zinc/86/33/36/815863336.db2.gz XLUNAGMCLORCRY-UHFFFAOYSA-N 0 3 255.325 2.097 20 30 CEEDHN C=C(C)COc1ccccc1CN(CC)CCC(N)=O ZINC001138664643 815864782 /nfs/dbraw/zinc/86/47/82/815864782.db2.gz SWFLLGHXFDXXBS-UHFFFAOYSA-N 0 3 276.380 2.339 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1[C@@H]3CCC[C@@H]31)C2 ZINC001095278592 815895455 /nfs/dbraw/zinc/89/54/55/815895455.db2.gz OPTXPNQWTLCGLE-LGFJLYTPSA-N 0 3 274.408 2.330 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C#CC(C)C)C12CCC2 ZINC001202867556 815906763 /nfs/dbraw/zinc/90/67/63/815906763.db2.gz RTJQFQCLPAZVNZ-KBPBESRZSA-N 0 3 294.826 2.415 20 30 CEEDHN C=CCN1CCN(Cc2cccc3c2ccn3C)CC1 ZINC001139161011 815974018 /nfs/dbraw/zinc/97/40/18/815974018.db2.gz POLWCUBOASHPRY-UHFFFAOYSA-N 0 3 269.392 2.482 20 30 CEEDHN C[C@H]1CCN(Cc2ccc(C#N)c(F)c2)CC[C@H]1O ZINC001139526238 816039146 /nfs/dbraw/zinc/03/91/46/816039146.db2.gz XNKGDVORFMSRTO-XHDPSFHLSA-N 0 3 262.328 2.290 20 30 CEEDHN N#Cc1c(Cl)cccc1CN1CCN2CC[C@H]2C1 ZINC001139692802 816084934 /nfs/dbraw/zinc/08/49/34/816084934.db2.gz JVLNHMUQTWPTIN-LBPRGKRZSA-N 0 3 261.756 2.102 20 30 CEEDHN C=CCn1cc(CN2CC[C@@H]3OCCC[C@H]3C2)cn1 ZINC001139765732 816110462 /nfs/dbraw/zinc/11/04/62/816110462.db2.gz FCVQRFLPMUOBDB-GJZGRUSLSA-N 0 3 261.369 2.070 20 30 CEEDHN CC1(O)CCN(Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140110764 816192028 /nfs/dbraw/zinc/19/20/28/816192028.db2.gz SMEYJSKTJYQUAS-UHFFFAOYSA-N 0 3 269.348 2.386 20 30 CEEDHN N#Cc1ccc(CN2CC[C@@H](c3cccnc3)C2)cn1 ZINC001140544490 816283314 /nfs/dbraw/zinc/28/33/14/816283314.db2.gz RCWQHVVZEMIGFF-OAHLLOKOSA-N 0 3 264.332 2.338 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)CCc1ccc(C)o1 ZINC001176894437 816490342 /nfs/dbraw/zinc/49/03/42/816490342.db2.gz RSABIFXOUUDNQX-UHFFFAOYSA-N 0 3 284.787 2.369 20 30 CEEDHN C=CCCC(=O)N1CC[C@H](NCc2ccns2)[C@@H]1C ZINC001178312139 816724540 /nfs/dbraw/zinc/72/45/40/816724540.db2.gz QMEIZQHMPHGPAR-AAEUAGOBSA-N 0 3 279.409 2.188 20 30 CEEDHN O=C1C=C2CN(Cc3cc4cccnc4[nH]3)CCC2S1 ZINC001143214371 816811567 /nfs/dbraw/zinc/81/15/67/816811567.db2.gz OKCLUBJQWMQEQV-CYBMUJFWSA-N 0 3 285.372 2.337 20 30 CEEDHN C=CCOc1ccc(C(=O)N2C[C@@H](CC)N[C@@H](C)C2)cc1 ZINC000620905776 349458962 /nfs/dbraw/zinc/45/89/62/349458962.db2.gz AZGLESMXDVFCAI-DZGCQCFKSA-N 0 3 288.391 2.464 20 30 CEEDHN N#C[C@@H]1CCC[C@H](NC[C@@H](n2cncn2)C(F)(F)F)C1 ZINC000601295608 346814381 /nfs/dbraw/zinc/81/43/81/346814381.db2.gz YJWGUYJCBCMTKT-OUAUKWLOSA-N 0 3 287.289 2.053 20 30 CEEDHN CN(C)CCN(Cc1cc(C#N)cs1)C[C@@H]1CCCO1 ZINC000349065469 282095872 /nfs/dbraw/zinc/09/58/72/282095872.db2.gz ZVASZWNJPFNJTG-AWEZNQCLSA-N 0 3 293.436 2.162 20 30 CEEDHN CN(CCC(=O)Nc1cccc(C#N)c1)Cc1cccnc1 ZINC000124763536 187152397 /nfs/dbraw/zinc/15/23/97/187152397.db2.gz RKHJZCMYUXUELM-UHFFFAOYSA-N 0 3 294.358 2.414 20 30 CEEDHN Cc1ccc(CN(C)CCC(=O)N(C)CCC#N)cc1 ZINC000034674357 361793060 /nfs/dbraw/zinc/79/30/60/361793060.db2.gz SPWQVGVCNDMOKI-UHFFFAOYSA-N 0 3 273.380 2.189 20 30 CEEDHN CC(C#N)C(=O)NCc1sccc1Br ZINC000082737639 178259904 /nfs/dbraw/zinc/25/99/04/178259904.db2.gz PUCNNDIMSOGQQZ-ZCFIWIBFSA-N 0 3 273.155 2.286 20 30 CEEDHN CCc1nnc(NC[C@@H]2CCCN2CC)c(C#N)c1CC ZINC000124889349 187159835 /nfs/dbraw/zinc/15/98/35/187159835.db2.gz DHCIXZUAMLFQJY-LBPRGKRZSA-N 0 3 287.411 2.369 20 30 CEEDHN CN(C)C[C@@H]1CCCN1c1nccc(C#N)c1Cl ZINC000234252892 282119368 /nfs/dbraw/zinc/11/93/68/282119368.db2.gz RQCQSSZYUSXFQF-NSHDSACASA-N 0 3 264.760 2.137 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000336548651 365631222 /nfs/dbraw/zinc/63/12/22/365631222.db2.gz SXTFHCLNCHCUTG-KRWDZBQOSA-N 0 3 298.390 2.426 20 30 CEEDHN C=CCOc1ccccc1CNC[C@@]1(OC)CCOC1 ZINC000122873793 365632620 /nfs/dbraw/zinc/63/26/20/365632620.db2.gz PLTLDIYSDCSHRR-INIZCTEOSA-N 0 3 277.364 2.147 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)NCC1=CCN(C)CC1 ZINC000336557273 365642319 /nfs/dbraw/zinc/64/23/19/365642319.db2.gz QGYSPHSEVVAYSQ-UHFFFAOYSA-N 0 3 284.363 2.250 20 30 CEEDHN C[C@@H](NC(=O)c1cccc(F)c1C#N)C1=CCN(C)CC1 ZINC000336583863 365677513 /nfs/dbraw/zinc/67/75/13/365677513.db2.gz JLZLQUOJRZQOGC-LLVKDONJSA-N 0 3 287.338 2.078 20 30 CEEDHN C[C@H]1CCCN(CCOc2cccc(C#N)c2)[C@@H]1CO ZINC000125167651 187172941 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ZINC000590969124 345207874 /nfs/dbraw/zinc/20/78/74/345207874.db2.gz CHLXTVDKGOGNGR-INIZCTEOSA-N 0 3 286.375 2.446 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000591599713 345268243 /nfs/dbraw/zinc/26/82/43/345268243.db2.gz DYJDJJRAGZYGEY-MMFDQKDXSA-N 0 3 275.396 2.045 20 30 CEEDHN C[C@@H]1SCC[C@H]1NCc1cnc2ccc(C#N)cn12 ZINC000592380941 345348652 /nfs/dbraw/zinc/34/86/52/345348652.db2.gz VGGXDWCRCOYHIE-GXFFZTMASA-N 0 3 272.377 2.190 20 30 CEEDHN N#Cc1cnn2cc(CN3CCC[C@@H](C4CC4)C3)cnc12 ZINC000592513821 345363169 /nfs/dbraw/zinc/36/31/69/345363169.db2.gz NIKFMBGBWFCGCN-CQSZACIVSA-N 0 3 281.363 2.223 20 30 CEEDHN C[C@H](Cc1ccccc1)CN1CC[C@@](O)(CC#N)C1 ZINC000592522567 345365134 /nfs/dbraw/zinc/36/51/34/345365134.db2.gz OQYSTTBVIPZDPR-ZBFHGGJFSA-N 0 3 258.365 2.216 20 30 CEEDHN C[C@@H](CCc1ccccc1)N1CC[C@](O)(CC#N)C1 ZINC000592148087 345329385 /nfs/dbraw/zinc/32/93/85/345329385.db2.gz VUJYQENHRLQANU-GOEBONIOSA-N 0 3 258.365 2.358 20 30 CEEDHN N#CC[C@]1(O)CCN(CCSC2CCCCC2)C1 ZINC000592153100 345331506 /nfs/dbraw/zinc/33/15/06/345331506.db2.gz IYONCCQLVYTFLY-AWEZNQCLSA-N 0 3 268.426 2.403 20 30 CEEDHN CCc1ccccc1CCN1CC[C@@](O)(CC#N)C1 ZINC000592153163 345331524 /nfs/dbraw/zinc/33/15/24/345331524.db2.gz JYLBVCAKUPEDCK-INIZCTEOSA-N 0 3 258.365 2.142 20 30 CEEDHN C[C@@H](CC(C)(C)O)NCc1ccc(C#N)cc1F ZINC000295112474 199350873 /nfs/dbraw/zinc/35/08/73/199350873.db2.gz VHBVNFLNGYRVAL-JTQLQIEISA-N 0 3 250.317 2.336 20 30 CEEDHN CC[C@H](C#N)C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000593468027 345492484 /nfs/dbraw/zinc/49/24/84/345492484.db2.gz RWLHKAHJYJVFDC-CYBMUJFWSA-N 0 3 265.401 2.115 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000593534552 345504818 /nfs/dbraw/zinc/50/48/18/345504818.db2.gz LNDSLRMJGIJNDP-GHMZBOCLSA-N 0 3 268.357 2.019 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](CC(=O)OC)c1cccs1 ZINC000593397543 345476563 /nfs/dbraw/zinc/47/65/63/345476563.db2.gz XOSOCQQEAKVBJJ-UWVGGRQHSA-N 0 3 280.349 2.018 20 30 CEEDHN CC[C@@H](C#N)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000593402800 345477467 /nfs/dbraw/zinc/47/74/67/345477467.db2.gz COAFVEDXAOFMDT-LBPRGKRZSA-N 0 3 275.352 2.245 20 30 CEEDHN COc1cc(CN[C@H](C)COCC2CC2)ccc1C#N ZINC000593682833 345520148 /nfs/dbraw/zinc/52/01/48/345520148.db2.gz ZYCBXUMSUPLBRQ-GFCCVEGCSA-N 0 3 274.364 2.472 20 30 CEEDHN N#Cc1csc(CNCCC2(CO)CCC2)c1 ZINC000593692534 345522300 /nfs/dbraw/zinc/52/23/00/345522300.db2.gz CCRZHSPQVFMVRW-UHFFFAOYSA-N 0 3 250.367 2.262 20 30 CEEDHN CC[C@@H](C#N)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000593708906 345525808 /nfs/dbraw/zinc/52/58/08/345525808.db2.gz SBZSDOHNVHOBRF-SMDDNHRTSA-N 0 3 277.343 2.094 20 30 CEEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](CO)CCF ZINC000593718668 345526386 /nfs/dbraw/zinc/52/63/86/345526386.db2.gz OEBFYPXXDASGEU-ZFWWWQNUSA-N 0 3 262.328 2.246 20 30 CEEDHN CCC(C#N)C(=O)N([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000593743303 345531114 /nfs/dbraw/zinc/53/11/14/345531114.db2.gz GNIDGHAAIIONJP-GHMZBOCLSA-N 0 3 280.368 2.257 20 30 CEEDHN CCC(C#N)C(=O)N(C)[C@H](CC)C(=O)OC(C)(C)C ZINC000593887254 345548939 /nfs/dbraw/zinc/54/89/39/345548939.db2.gz QUPFQISKRIHTAK-WDEREUQCSA-N 0 3 268.357 2.115 20 30 CEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)CCCCC#N ZINC000593997958 345563081 /nfs/dbraw/zinc/56/30/81/345563081.db2.gz GREMNNSSNIVNKM-ZDUSSCGKSA-N 0 3 265.401 2.259 20 30 CEEDHN CCC(C)(C)N1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000594021658 345568700 /nfs/dbraw/zinc/56/87/00/345568700.db2.gz YGCUDVUGGJHFPE-UHFFFAOYSA-N 0 3 272.396 2.259 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000593612046 345512699 /nfs/dbraw/zinc/51/26/99/345512699.db2.gz GVOWERHOZQLUTI-GXTWGEPZSA-N 0 3 288.347 2.184 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)N1CCCC1 ZINC000594283935 345608044 /nfs/dbraw/zinc/60/80/44/345608044.db2.gz OTYHTXSZXPWGMY-CABCVRRESA-N 0 3 299.418 2.337 20 30 CEEDHN C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CC[C@@H](C)C1 ZINC000594304127 345610289 /nfs/dbraw/zinc/61/02/89/345610289.db2.gz AVYIPCOVRJIREA-CABCVRRESA-N 0 3 299.418 2.195 20 30 CEEDHN CCC(C)(C)N1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000594389901 345620618 /nfs/dbraw/zinc/62/06/18/345620618.db2.gz PSBDBPJSVMZZGB-UHFFFAOYSA-N 0 3 299.418 2.434 20 30 CEEDHN Cc1ccc([C@@H](NC(=O)C(C)C#N)C(F)(F)F)o1 ZINC000594405127 345622644 /nfs/dbraw/zinc/62/26/44/345622644.db2.gz YTMVLLFCGKKBPV-IMTBSYHQSA-N 0 3 260.215 2.467 20 30 CEEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594427046 345626372 /nfs/dbraw/zinc/62/63/72/345626372.db2.gz SJTVHBIYTHKJKW-GXTWGEPZSA-N 0 3 259.353 2.275 20 30 CEEDHN CC(C)CN(C(=O)[C@@H](N)CCCCC#N)C(C)C ZINC000594426256 345626601 /nfs/dbraw/zinc/62/66/01/345626601.db2.gz CFAYBHKXEGLKBY-ZDUSSCGKSA-N 0 3 253.390 2.291 20 30 CEEDHN CC[C@H]1CCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594428151 345627072 /nfs/dbraw/zinc/62/70/72/345627072.db2.gz ZTFKLGPZBCIESS-QWHCGFSZSA-N 0 3 251.374 2.189 20 30 CEEDHN CC[C@@H]1CCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594428148 345627205 /nfs/dbraw/zinc/62/72/05/345627205.db2.gz ZTFKLGPZBCIESS-CHWSQXEVSA-N 0 3 251.374 2.189 20 30 CEEDHN CCOc1cccc(CNC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594428642 345627261 /nfs/dbraw/zinc/62/72/61/345627261.db2.gz NNNTWXFWODIELW-HNNXBMFYSA-N 0 3 289.379 2.113 20 30 CEEDHN C[C@@H](CNC(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1 ZINC000594431216 345628233 /nfs/dbraw/zinc/62/82/33/345628233.db2.gz JSHUOPOSGHICDX-SWLSCSKDSA-N 0 3 291.370 2.457 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000594434539 345629901 /nfs/dbraw/zinc/62/99/01/345629901.db2.gz OGLDDATYPZMQKK-HUUCEWRRSA-N 0 3 289.354 2.340 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NC1(c2ccc(F)cc2)CC1 ZINC000594434938 345630101 /nfs/dbraw/zinc/63/01/01/345630101.db2.gz WZOFKHGEDORLAV-AWEZNQCLSA-N 0 3 289.354 2.342 20 30 CEEDHN Cc1csc([C@H](C)CNC(=O)[C@@H](N)CCCCC#N)n1 ZINC000594437566 345630813 /nfs/dbraw/zinc/63/08/13/345630813.db2.gz OOAWKQXJVQAVQY-PWSUYJOCSA-N 0 3 294.424 2.083 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1-n1ccnc1 ZINC000594440240 345631043 /nfs/dbraw/zinc/63/10/43/345631043.db2.gz ANSOIMJDNLPWTB-ZDUSSCGKSA-N 0 3 297.362 2.222 20 30 CEEDHN CC(C)(C)[C@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594440165 345631229 /nfs/dbraw/zinc/63/12/29/345631229.db2.gz VIIVWTXMKLBLGR-QWHCGFSZSA-N 0 3 265.401 2.435 20 30 CEEDHN CCc1cnc(CN(C)C(=O)[C@@H](N)CCCCC#N)s1 ZINC000594440046 345631552 /nfs/dbraw/zinc/63/15/52/345631552.db2.gz YQYSANGZFPEOKF-LBPRGKRZSA-N 0 3 294.424 2.075 20 30 CEEDHN CC(C)(C)[C@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC000594440163 345631566 /nfs/dbraw/zinc/63/15/66/345631566.db2.gz VIIVWTXMKLBLGR-CHWSQXEVSA-N 0 3 265.401 2.435 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N(CC1CC1)CC1CC1 ZINC000594444515 345632656 /nfs/dbraw/zinc/63/26/56/345632656.db2.gz NTNNEWIKIOVMHJ-AWEZNQCLSA-N 0 3 263.385 2.046 20 30 CEEDHN Cc1cc(N[C@@H]2CCCN3CCCC[C@@H]23)cc(C#N)n1 ZINC000594603889 345658397 /nfs/dbraw/zinc/65/83/97/345658397.db2.gz WHZYKMVPHPFHIR-CVEARBPZSA-N 0 3 270.380 2.112 20 30 CEEDHN N#CCCc1cn([C@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000594649329 345666178 /nfs/dbraw/zinc/66/61/78/345666178.db2.gz KVPSZMWQWQPGDQ-INIZCTEOSA-N 0 3 281.363 2.181 20 30 CEEDHN CO[C@](C)(CO)CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000594512905 345641339 /nfs/dbraw/zinc/64/13/39/345641339.db2.gz SQUIUSMNXUXZSG-IRXDYDNUSA-N 0 3 288.391 2.313 20 30 CEEDHN C=CCCSCCNCCS(=O)(=O)c1ccccc1 ZINC000594718839 345678587 /nfs/dbraw/zinc/67/85/87/345678587.db2.gz WCKCCYKSUJIIBS-UHFFFAOYSA-N 0 3 299.461 2.359 20 30 CEEDHN Cn1ncc(C2CC2)c1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000595075366 345740086 /nfs/dbraw/zinc/74/00/86/345740086.db2.gz AGZIVQANVQGOCK-DGCLKSJQSA-N 0 3 258.369 2.469 20 30 CEEDHN C=CCOCCCN[C@H](C)c1cc(C(=O)OC)co1 ZINC000595079710 345740257 /nfs/dbraw/zinc/74/02/57/345740257.db2.gz XYYSXIXQJJFSCZ-LLVKDONJSA-N 0 3 267.325 2.310 20 30 CEEDHN COc1ccc(N2C[C@H](N[C@@H]3CC[C@H](C#N)C3)CC2=O)cc1 ZINC000595077948 345740432 /nfs/dbraw/zinc/74/04/32/345740432.db2.gz LPQBWWPYBKGIDM-BFHYXJOUSA-N 0 3 299.374 2.082 20 30 CEEDHN C[C@@]1(C#N)CCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000595232411 345746786 /nfs/dbraw/zinc/74/67/86/345746786.db2.gz AVLGFJPCUDUDIX-INIZCTEOSA-N 0 3 284.363 2.100 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc2occc2c1 ZINC000595256597 345749784 /nfs/dbraw/zinc/74/97/84/345749784.db2.gz NVHIBHCBJCNVMB-CYBMUJFWSA-N 0 3 271.320 2.070 20 30 CEEDHN N#CC1(CNC(=O)C2(N)CCCCC2)CCCCC1 ZINC000595257906 345750006 /nfs/dbraw/zinc/75/00/06/345750006.db2.gz CCRGDRSEPBTUGR-UHFFFAOYSA-N 0 3 263.385 2.238 20 30 CEEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)C1CCC(F)CC1 ZINC000595259299 345750760 /nfs/dbraw/zinc/75/07/60/345750760.db2.gz JKJOPSMDSCHVPF-GFJIZPEISA-N 0 3 283.391 2.431 20 30 CEEDHN Cc1ccccc1C(F)(F)CNC(=O)[C@@H](N)CCCC#N ZINC000595260119 345750788 /nfs/dbraw/zinc/75/07/88/345750788.db2.gz VGIIVHBSBUIPFH-ZDUSSCGKSA-N 0 3 295.333 2.224 20 30 CEEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)C1CCC(F)CC1 ZINC000595259297 345750836 /nfs/dbraw/zinc/75/08/36/345750836.db2.gz JKJOPSMDSCHVPF-ABXWRUBCSA-N 0 3 283.391 2.431 20 30 CEEDHN N#Cc1ccc(CCN2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000595309913 345760019 /nfs/dbraw/zinc/76/00/19/345760019.db2.gz AUYPGJDVTMARTB-ZIAGYGMSSA-N 0 3 298.308 2.488 20 30 CEEDHN CO[C@@H](CN(C)Cc1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000595286424 345754591 /nfs/dbraw/zinc/75/45/91/345754591.db2.gz CQQCUENRQMFQCO-CVEARBPZSA-N 0 3 274.364 2.042 20 30 CEEDHN CCN(CC)C(=O)[C@H]1CCCN1CCc1ccc(C#N)cc1 ZINC000595294865 345755802 /nfs/dbraw/zinc/75/58/02/345755802.db2.gz SLAVPWYWQXRCFB-QGZVFWFLSA-N 0 3 299.418 2.434 20 30 CEEDHN CC(C)NC(=O)CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594914740 345700148 /nfs/dbraw/zinc/70/01/48/345700148.db2.gz KCPSYIUGAAEQFX-UHFFFAOYSA-N 0 3 285.391 2.246 20 30 CEEDHN COC[C@H](C)Oc1ccc(CNCCCC#N)cc1 ZINC000594941966 345711478 /nfs/dbraw/zinc/71/14/78/345711478.db2.gz DIONWFHIUYCKNK-ZDUSSCGKSA-N 0 3 262.353 2.494 20 30 CEEDHN CCCn1nccc1CNCCc1ccc(C#N)cc1 ZINC000594956678 345715755 /nfs/dbraw/zinc/71/57/55/345715755.db2.gz YPUGXOOIMIAPJZ-UHFFFAOYSA-N 0 3 268.364 2.497 20 30 CEEDHN N#Cc1ccc(CCNCc2cc3n(n2)CCC3)cc1 ZINC000594955483 345715783 /nfs/dbraw/zinc/71/57/83/345715783.db2.gz PIOPEVOJYKPNIS-UHFFFAOYSA-N 0 3 266.348 2.033 20 30 CEEDHN C=CCCSCCNCc1ccc(C(N)=O)cc1 ZINC000594960378 345717248 /nfs/dbraw/zinc/71/72/48/345717248.db2.gz PDONZQRGLDCPAM-UHFFFAOYSA-N 0 3 264.394 2.184 20 30 CEEDHN N#Cc1ccc(OCCN[C@H]2COC3(CCC3)C2)cc1 ZINC000595024655 345730263 /nfs/dbraw/zinc/73/02/63/345730263.db2.gz BPFAJWXTRKFSND-CQSZACIVSA-N 0 3 272.348 2.238 20 30 CEEDHN C=CCCSCCNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000595553144 345810648 /nfs/dbraw/zinc/81/06/48/345810648.db2.gz FFGDGRXTGLFQEF-OLZOCXBDSA-N 0 3 297.468 2.220 20 30 CEEDHN CC(C)CNC(=O)CCCN1CCC(C)(C#N)CC1 ZINC000595429637 345780581 /nfs/dbraw/zinc/78/05/81/345780581.db2.gz SJQLGWQMVQWMFZ-UHFFFAOYSA-N 0 3 265.401 2.164 20 30 CEEDHN CC(C)[C@H](NCCc1ccc(C#N)cc1)c1nncn1C ZINC000595485248 345793828 /nfs/dbraw/zinc/79/38/28/345793828.db2.gz SUYVSWKRARLTDE-HNNXBMFYSA-N 0 3 283.379 2.216 20 30 CEEDHN N#Cc1ccc(F)c(CNC2(CCO)CCCC2)c1 ZINC000595508639 345799230 /nfs/dbraw/zinc/79/92/30/345799230.db2.gz IJLPLZMGSPNBOV-UHFFFAOYSA-N 0 3 262.328 2.482 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1Cc2ccccc2[C@@H]1C ZINC000595706806 345856035 /nfs/dbraw/zinc/85/60/35/345856035.db2.gz LPQIFUHLSWIPKV-JKIFEVAISA-N 0 3 299.418 2.313 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H]1Cc2ccccc2[C@@H]1C ZINC000595706803 345856137 /nfs/dbraw/zinc/85/61/37/345856137.db2.gz LPQIFUHLSWIPKV-GRDNDAEWSA-N 0 3 299.418 2.313 20 30 CEEDHN COC(=O)[C@@H]1CCN(CCCC#N)[C@@H]2CCCC[C@H]12 ZINC000595731441 345861622 /nfs/dbraw/zinc/86/16/22/345861622.db2.gz BJNALIBUPJGNOM-MGPQQGTHSA-N 0 3 264.369 2.344 20 30 CEEDHN N#CC[C@@H]1CCCN(C[C@H](O)COc2ccc(F)cc2)C1 ZINC000595610313 345826591 /nfs/dbraw/zinc/82/65/91/345826591.db2.gz WDXOOIQXLBRUMP-ZFWWWQNUSA-N 0 3 292.354 2.191 20 30 CEEDHN Cc1ccc(OC[C@H](O)CN2CCC[C@@H](CC#N)C2)cc1 ZINC000595610445 345827228 /nfs/dbraw/zinc/82/72/28/345827228.db2.gz YSRKZUWQRGGMNN-JKSUJKDBSA-N 0 3 288.391 2.360 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)NCC(C)(C)CCC#N ZINC000595626976 345832028 /nfs/dbraw/zinc/83/20/28/345832028.db2.gz TUTAMMNQULONSX-ZDUSSCGKSA-N 0 3 294.443 2.488 20 30 CEEDHN CC(C)CC1(N[C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000595829973 345888581 /nfs/dbraw/zinc/88/85/81/345888581.db2.gz BWCRXNKLLAUJEB-LBPRGKRZSA-N 0 3 263.385 2.106 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCC[C@@](O)(C2CC2)C1 ZINC000595749773 345865893 /nfs/dbraw/zinc/86/58/93/345865893.db2.gz HNZFOIVYVKPSLX-KRWDZBQOSA-N 0 3 286.375 2.304 20 30 CEEDHN N#Cc1ccc(CN(CCN2CCOCC2)CC2CC2)cc1 ZINC000595810520 345881716 /nfs/dbraw/zinc/88/17/16/345881716.db2.gz YTCSZMFLYBHJQD-UHFFFAOYSA-N 0 3 299.418 2.102 20 30 CEEDHN CN(C)C(=O)N(C)[C@@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000595826332 345886708 /nfs/dbraw/zinc/88/67/08/345886708.db2.gz NDIRINRTNDRNJO-CYBMUJFWSA-N 0 3 280.416 2.004 20 30 CEEDHN C[C@H]1NCCN(C(=O)CC2(C#N)CCCCC2)[C@@H]1C ZINC000595948754 345917405 /nfs/dbraw/zinc/91/74/05/345917405.db2.gz AYISYKREMTXWKM-CHWSQXEVSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@H](C(=O)N1CC[C@@](C)(C#N)C1)[C@H](N)c1ccccc1 ZINC000595982017 345920699 /nfs/dbraw/zinc/92/06/99/345920699.db2.gz RDVVNQKYNQVAJK-NOLJZWGESA-N 0 3 271.364 2.085 20 30 CEEDHN CC1(C)C[C@@]1(CNC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000595987835 345921218 /nfs/dbraw/zinc/92/12/18/345921218.db2.gz YSCFMMUUZJACIU-CRAIPNDOSA-N 0 3 299.418 2.492 20 30 CEEDHN Cc1cc(N2C[C@@H](C)N(C)C[C@H]2C)cc(C#N)c1[N+](=O)[O-] ZINC000596180417 345961963 /nfs/dbraw/zinc/96/19/63/345961963.db2.gz ZNCUFHHDPDCEPK-VXGBXAGGSA-N 0 3 288.351 2.304 20 30 CEEDHN CN(CCN1CCCC1)c1nc2ncccc2cc1C#N ZINC000596111944 345942651 /nfs/dbraw/zinc/94/26/51/345942651.db2.gz FGRUIQHNMBCOCK-UHFFFAOYSA-N 0 3 281.363 2.033 20 30 CEEDHN Cc1ccn(C[C@@H]2CCCCN2C(C)C)c(=O)c1C#N ZINC000596261373 345984216 /nfs/dbraw/zinc/98/42/16/345984216.db2.gz RBZPKHNUPZPFAD-AWEZNQCLSA-N 0 3 273.380 2.291 20 30 CEEDHN CC(C)(C)N1CC[C@@H](Nc2ncc(C#N)cc2F)C1 ZINC000596335792 346002814 /nfs/dbraw/zinc/00/28/14/346002814.db2.gz IJISYDHGKUWVIY-LLVKDONJSA-N 0 3 262.332 2.377 20 30 CEEDHN CCN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCN(C)C1 ZINC000596454513 346028086 /nfs/dbraw/zinc/02/80/86/346028086.db2.gz RICKVTKKKBDXPI-AWEZNQCLSA-N 0 3 272.352 2.116 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)Nc1cccnc1C#N ZINC000596487830 346036768 /nfs/dbraw/zinc/03/67/68/346036768.db2.gz KHGXULOMJZACQI-CYBMUJFWSA-N 0 3 258.369 2.486 20 30 CEEDHN C[C@@H](CC#N)C(=O)NCCCN(C)Cc1ccccc1 ZINC000596679693 346076428 /nfs/dbraw/zinc/07/64/28/346076428.db2.gz KNYIPEKRMPPANP-AWEZNQCLSA-N 0 3 273.380 2.174 20 30 CEEDHN CCN(C(=O)Nc1scc(C)c1C#N)[C@H]1CCN(C)C1 ZINC000596902102 346104043 /nfs/dbraw/zinc/10/40/43/346104043.db2.gz AUYSOMGTUTUIES-NSHDSACASA-N 0 3 292.408 2.486 20 30 CEEDHN CN(CCN1CCOCC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596998378 346114135 /nfs/dbraw/zinc/11/41/35/346114135.db2.gz MJSVSYZPOHCNIZ-UHFFFAOYSA-N 0 3 299.418 2.006 20 30 CEEDHN COC[C@H](CC1CCOCC1)NCC1(C#N)CCC1 ZINC000597153695 346136857 /nfs/dbraw/zinc/13/68/57/346136857.db2.gz MAJXFVLDGFEELX-AWEZNQCLSA-N 0 3 266.385 2.102 20 30 CEEDHN CC(C#N)C(=O)N1CCCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000597606137 346206497 /nfs/dbraw/zinc/20/64/97/346206497.db2.gz VCQRURIONWOAEX-MRLBHPIUSA-N 0 3 278.396 2.324 20 30 CEEDHN C[C@@H](CC#N)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000597770068 346228307 /nfs/dbraw/zinc/22/83/07/346228307.db2.gz BQRFJUJGYIDRKI-JTQLQIEISA-N 0 3 263.316 2.376 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)C1(CO)CCC1 ZINC000597854252 346238371 /nfs/dbraw/zinc/23/83/71/346238371.db2.gz YOJLTWWNAPYIBJ-TZMCWYRMSA-N 0 3 272.348 2.166 20 30 CEEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)C1(C#N)CCCC1 ZINC000597859042 346239476 /nfs/dbraw/zinc/23/94/76/346239476.db2.gz QKZZKZXMFHWCQF-GFCCVEGCSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@@H](C(=O)NCCc1ccc(C#N)cc1)N1[C@H](C)CC[C@@H]1C ZINC000597891568 346246564 /nfs/dbraw/zinc/24/65/64/346246564.db2.gz OIGXJFOXXUJNHK-ZNMIVQPWSA-N 0 3 299.418 2.478 20 30 CEEDHN CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](CC#N)C1 ZINC000597910791 346251032 /nfs/dbraw/zinc/25/10/32/346251032.db2.gz AWAZYKMTORJQCO-ZIAGYGMSSA-N 0 3 263.385 2.013 20 30 CEEDHN CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](CC#N)C1 ZINC000597910790 346251162 /nfs/dbraw/zinc/25/11/62/346251162.db2.gz AWAZYKMTORJQCO-UONOGXRCSA-N 0 3 263.385 2.013 20 30 CEEDHN C[C@@H](C(=O)N1CCC[C@H](CC#N)C1)N1[C@H](C)CC[C@@H]1C ZINC000597913086 346252289 /nfs/dbraw/zinc/25/22/89/346252289.db2.gz YOEOJIUTOGJFHB-LJISPDSOSA-N 0 3 277.412 2.400 20 30 CEEDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cccc(CC#N)c2)C1 ZINC000597921820 346253813 /nfs/dbraw/zinc/25/38/13/346253813.db2.gz BYLOPFQAOWDQFT-OAHLLOKOSA-N 0 3 285.391 2.355 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)c2cc(C#N)cs2)C1 ZINC000597925909 346254242 /nfs/dbraw/zinc/25/42/42/346254242.db2.gz YCARWNUWJRPSKF-NSHDSACASA-N 0 3 277.393 2.222 20 30 CEEDHN CC(C#N)C(=O)NCC(F)(F)c1cccc(F)c1 ZINC000597976582 346261813 /nfs/dbraw/zinc/26/18/13/346261813.db2.gz XEOKAGQXIYPKDO-QMMMGPOBSA-N 0 3 256.227 2.193 20 30 CEEDHN CCN(C(=O)c1ccc(CC#N)cc1)[C@H]1CCN(CC)C1 ZINC000598039649 346273635 /nfs/dbraw/zinc/27/36/35/346273635.db2.gz LOXZNOUUEZGZTL-INIZCTEOSA-N 0 3 285.391 2.309 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000598341939 346331886 /nfs/dbraw/zinc/33/18/86/346331886.db2.gz IUVCVZZQNLDHSM-CYBMUJFWSA-N 0 3 291.782 2.426 20 30 CEEDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc(C#N)s1 ZINC000598261882 346315933 /nfs/dbraw/zinc/31/59/33/346315933.db2.gz HMWBXHXRYSSHQQ-GFCCVEGCSA-N 0 3 291.420 2.470 20 30 CEEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc(C#N)cs1 ZINC000598261933 346316084 /nfs/dbraw/zinc/31/60/84/346316084.db2.gz IYQQFLABTYNWCI-LBPRGKRZSA-N 0 3 291.420 2.470 20 30 CEEDHN CC(C#N)C(=O)NCCc1nsc2ccccc12 ZINC000598395238 346345019 /nfs/dbraw/zinc/34/50/19/346345019.db2.gz ZEECFDPHUYLBJH-VIFPVBQESA-N 0 3 259.334 2.115 20 30 CEEDHN CCN(C(=O)[C@H](C)N1CCCCCC1)[C@H](C)C#N ZINC000598359864 346337839 /nfs/dbraw/zinc/33/78/39/346337839.db2.gz NKGPLELADMZUDI-OLZOCXBDSA-N 0 3 251.374 2.011 20 30 CEEDHN CCN(C(=O)c1cccc(CN(C)C)c1)[C@@H](C)C#N ZINC000598360851 346338776 /nfs/dbraw/zinc/33/87/76/346338776.db2.gz WLCZJRXPFQIWLK-LBPRGKRZSA-N 0 3 259.353 2.122 20 30 CEEDHN CCN(C(=O)[C@@H]1CCN(Cc2ccccc2)C1)[C@H](C)C#N ZINC000598362566 346339659 /nfs/dbraw/zinc/33/96/59/346339659.db2.gz GQRSGHBWOUDOBI-GDBMZVCRSA-N 0 3 285.391 2.269 20 30 CEEDHN CC(C#N)C(=O)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000598573666 346376285 /nfs/dbraw/zinc/37/62/85/346376285.db2.gz OPGSNRGWUJYSHL-AAEUAGOBSA-N 0 3 255.321 2.295 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CC(C)(C)OCC1(C)C ZINC000598591381 346379773 /nfs/dbraw/zinc/37/97/73/346379773.db2.gz APNPGQDUGCEQOW-LBPRGKRZSA-N 0 3 268.401 2.177 20 30 CEEDHN Cc1cnc(CCN(C)C[C@@H](O)CC(C)(C)C#N)s1 ZINC000598595168 346380285 /nfs/dbraw/zinc/38/02/85/346380285.db2.gz CMBHHGIEQDLTNN-LBPRGKRZSA-N 0 3 281.425 2.227 20 30 CEEDHN CCN(CCc1nccs1)C[C@@H](O)CC(C)(C)C#N ZINC000598595193 346380551 /nfs/dbraw/zinc/38/05/51/346380551.db2.gz CTVOFGDOLULMKN-LBPRGKRZSA-N 0 3 281.425 2.308 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H]1c1ccc[nH]1 ZINC000598593512 346380654 /nfs/dbraw/zinc/38/06/54/346380654.db2.gz BUMIQODQIYBSRO-GXTWGEPZSA-N 0 3 261.369 2.452 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN(Cc1ccccn1)C1CC1 ZINC000598598573 346381016 /nfs/dbraw/zinc/38/10/16/346381016.db2.gz BQWDRVIKQBYGEG-HNNXBMFYSA-N 0 3 273.380 2.347 20 30 CEEDHN COCC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccco1 ZINC000598611722 346383862 /nfs/dbraw/zinc/38/38/62/346383862.db2.gz INBNOGJIBKCCJY-CHWSQXEVSA-N 0 3 280.368 2.248 20 30 CEEDHN C[C@H](CN(C)C[C@@H](O)CC(C)(C)C#N)c1nccs1 ZINC000598612663 346383929 /nfs/dbraw/zinc/38/39/29/346383929.db2.gz QXHCAVZKUFLXTG-NEPJUHHUSA-N 0 3 281.425 2.479 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CCC=C(c2ccncc2)C1 ZINC000598616013 346384461 /nfs/dbraw/zinc/38/44/61/346384461.db2.gz JCPZKQBQEHSFPP-MRXNPFEDSA-N 0 3 285.391 2.471 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000598616015 346384689 /nfs/dbraw/zinc/38/46/89/346384689.db2.gz JEKYJIZOCVKTIU-IHRRRGAJSA-N 0 3 280.412 2.177 20 30 CEEDHN CC[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)[C@H](CC)CO1 ZINC000598621751 346386293 /nfs/dbraw/zinc/38/62/93/346386293.db2.gz DCFBCFGHXJYVGY-MGPQQGTHSA-N 0 3 268.401 2.177 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CNCc1cnn(-c2ccccc2)c1 ZINC000598714242 346406064 /nfs/dbraw/zinc/40/60/64/346406064.db2.gz GZHZISMJEAPADS-INIZCTEOSA-N 0 3 298.390 2.263 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(F)cc1F ZINC000598715476 346406372 /nfs/dbraw/zinc/40/63/72/346406372.db2.gz RHVDDGCKFUCUNI-LBPRGKRZSA-N 0 3 268.307 2.355 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccnc(OC(F)F)c1 ZINC000598726766 346409907 /nfs/dbraw/zinc/40/99/07/346409907.db2.gz AYIMCBBOFQIPIX-LLVKDONJSA-N 0 3 299.321 2.073 20 30 CEEDHN CCOc1cccc(CNC[C@H](O)CC(C)(C)C#N)c1 ZINC000598715263 346406678 /nfs/dbraw/zinc/40/66/78/346406678.db2.gz NWFSAIDJPZQQKX-CQSZACIVSA-N 0 3 276.380 2.476 20 30 CEEDHN Cc1ccn2cc(CNC[C@@H](O)CC(C)(C)C#N)nc2c1 ZINC000598719860 346407607 /nfs/dbraw/zinc/40/76/07/346407607.db2.gz KJAVGDQTJWUBDK-AWEZNQCLSA-N 0 3 286.379 2.033 20 30 CEEDHN CCOc1ccccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598721474 346407992 /nfs/dbraw/zinc/40/79/92/346407992.db2.gz VZMRGAVBXAFYPJ-CQSZACIVSA-N 0 3 276.380 2.476 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(Cl)cn1 ZINC000598724305 346409371 /nfs/dbraw/zinc/40/93/71/346409371.db2.gz NULUJTOVJZITPP-GFCCVEGCSA-N 0 3 267.760 2.125 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(C#N)c(F)c1 ZINC000598727815 346410357 /nfs/dbraw/zinc/41/03/57/346410357.db2.gz JKLUIGWXMVBRLV-CYBMUJFWSA-N 0 3 275.327 2.088 20 30 CEEDHN CC(C)(C#N)c1ccc(CNC[C@@H](O)[C@@H]2CCCO2)cc1 ZINC000598989839 346442717 /nfs/dbraw/zinc/44/27/17/346442717.db2.gz CIULSGMJTAFTJJ-CVEARBPZSA-N 0 3 288.391 2.117 20 30 CEEDHN CN(Cc1ccccc1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599258210 346485430 /nfs/dbraw/zinc/48/54/30/346485430.db2.gz VIUXXOSNJSAMJG-INIZCTEOSA-N 0 3 288.391 2.190 20 30 CEEDHN Cc1ccc(CN2CCN(C(C)C)CC2)cc1C#N ZINC000599258706 346485518 /nfs/dbraw/zinc/48/55/18/346485518.db2.gz RZRHYFORGFESHS-UHFFFAOYSA-N 0 3 257.381 2.393 20 30 CEEDHN N#Cc1cc(NCCN2CC[C@H](O)C2)ccc1C(F)(F)F ZINC000599198941 346478289 /nfs/dbraw/zinc/47/82/89/346478289.db2.gz BTVQYYIGKNRSHI-LBPRGKRZSA-N 0 3 299.296 2.056 20 30 CEEDHN CCC(C#N)(CC)C(=O)N(C)CC1CCN(C)CC1 ZINC000063124763 362751159 /nfs/dbraw/zinc/75/11/59/362751159.db2.gz VLDYVZFOFWXECD-UHFFFAOYSA-N 0 3 265.401 2.117 20 30 CEEDHN COCCN(Cc1ccc(C)c(C#N)c1)[C@@H]1CCOC1 ZINC000599397156 346513804 /nfs/dbraw/zinc/51/38/04/346513804.db2.gz UYZJRQRUUHZWQK-MRXNPFEDSA-N 0 3 274.364 2.104 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@H]2CCc3c2cccc3O)CC1 ZINC000599432107 346518868 /nfs/dbraw/zinc/51/88/68/346518868.db2.gz HWXURSFSEKKSLQ-FZMZJTMJSA-N 0 3 272.348 2.024 20 30 CEEDHN Cc1cc(NC(=O)[C@@H](N)CCCCC#N)cs1 ZINC000602600706 347095938 /nfs/dbraw/zinc/09/59/38/347095938.db2.gz IBFYCIFVAYHFDB-NSHDSACASA-N 0 3 251.355 2.406 20 30 CEEDHN Cc1ccc(CN[C@H](C)Cn2cccn2)cc1C#N ZINC000599290618 346491847 /nfs/dbraw/zinc/49/18/47/346491847.db2.gz XNLUADOOOWGTHM-CYBMUJFWSA-N 0 3 254.337 2.242 20 30 CEEDHN Cc1ccc(CN2C[C@H](C)C(O)[C@@H](C)C2)cc1C#N ZINC000599471063 346525770 /nfs/dbraw/zinc/52/57/70/346525770.db2.gz XXDSCOLAFHKHSE-STQMWFEESA-N 0 3 258.365 2.315 20 30 CEEDHN C[C@H](N[C@H]1CNCCC1(F)F)c1cccc(C#N)c1 ZINC000335571043 212279836 /nfs/dbraw/zinc/27/98/36/212279836.db2.gz YBBFUOLXACUGQD-GWCFXTLKSA-N 0 3 265.307 2.206 20 30 CEEDHN C[C@@H](N[C@H]1CNCCC1(F)F)c1cccc(C#N)c1 ZINC000335571045 212280085 /nfs/dbraw/zinc/28/00/85/212280085.db2.gz YBBFUOLXACUGQD-MFKMUULPSA-N 0 3 265.307 2.206 20 30 CEEDHN N#Cc1cccc(CN2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000599634314 346549703 /nfs/dbraw/zinc/54/97/03/346549703.db2.gz BUMJHJIONHVTHS-JKSUJKDBSA-N 0 3 256.349 2.153 20 30 CEEDHN N#Cc1ccccc1OCCN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639522 346551149 /nfs/dbraw/zinc/55/11/49/346551149.db2.gz GJADMDWCNMLSST-DOTOQJQBSA-N 0 3 286.375 2.031 20 30 CEEDHN CCC(C#N)(CC)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000600084751 346595724 /nfs/dbraw/zinc/59/57/24/346595724.db2.gz FVQDZCJPLALECT-UONOGXRCSA-N 0 3 277.412 2.449 20 30 CEEDHN COC(=O)Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000600183612 346617216 /nfs/dbraw/zinc/61/72/16/346617216.db2.gz BNHQNEWBEUKGRP-GJZGRUSLSA-N 0 3 272.348 2.184 20 30 CEEDHN CCC(C#N)C(=O)NC[C@@H](C(=O)OC)C1CCCCC1 ZINC000600409285 346638618 /nfs/dbraw/zinc/63/86/18/346638618.db2.gz NNTAUKANBPCARV-DGCLKSJQSA-N 0 3 280.368 2.022 20 30 CEEDHN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C(C)C#N ZINC000600423559 346639862 /nfs/dbraw/zinc/63/98/62/346639862.db2.gz ARVTWPYPDMQMRE-VIFPVBQESA-N 0 3 273.311 2.434 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H]1CCOC[C@@H]1C ZINC000336810137 365849059 /nfs/dbraw/zinc/84/90/59/365849059.db2.gz YMECCYTVAYFFSF-SMDDNHRTSA-N 0 3 260.337 2.081 20 30 CEEDHN CCOc1ccccc1CNC[C@H](O)CC1(C#N)CC1 ZINC000600720423 346677566 /nfs/dbraw/zinc/67/75/66/346677566.db2.gz PHPACLKKAFJTNE-CQSZACIVSA-N 0 3 274.364 2.230 20 30 CEEDHN COc1ccc(C)cc1CNC[C@H](O)CC1(C#N)CC1 ZINC000600719881 346677771 /nfs/dbraw/zinc/67/77/71/346677771.db2.gz VKXMVSMHNKJASU-CQSZACIVSA-N 0 3 274.364 2.148 20 30 CEEDHN N#CC1(C[C@H](O)CN[C@H]2CSc3ccccc32)CC1 ZINC000600722084 346678281 /nfs/dbraw/zinc/67/82/81/346678281.db2.gz FHCAPUCRUZMWEZ-AAEUAGOBSA-N 0 3 274.389 2.478 20 30 CEEDHN C[C@H](CNc1cc(C#N)nc(C2CC2)n1)N1CCC[C@@H](C)C1 ZINC000601104938 346753312 /nfs/dbraw/zinc/75/33/12/346753312.db2.gz NOORUMYDMYCMCC-CHWSQXEVSA-N 0 3 299.422 2.180 20 30 CEEDHN N#Cc1cc(NC[C@H]2CCN2C2CCCC2)nc(C2CC2)n1 ZINC000601203266 346787083 /nfs/dbraw/zinc/78/70/83/346787083.db2.gz OYKRZPFCWJBHRQ-OAHLLOKOSA-N 0 3 297.406 2.076 20 30 CEEDHN C[C@H]1C[C@H](N(C)C(=O)c2ccccc2CC#N)CCN1C ZINC000601225269 346795007 /nfs/dbraw/zinc/79/50/07/346795007.db2.gz LVBMJDGVZGKGHZ-DZGCQCFKSA-N 0 3 285.391 2.307 20 30 CEEDHN Cc1cccc(CN2CC[C@@H](Nc3cncc(C#N)n3)C2)c1 ZINC000601239115 346799985 /nfs/dbraw/zinc/79/99/85/346799985.db2.gz ICAWKSXNKZBMDY-OAHLLOKOSA-N 0 3 293.374 2.343 20 30 CEEDHN N#Cc1cccc(CNC[C@@H]2CCC(F)(F)C2)n1 ZINC000602643998 347119673 /nfs/dbraw/zinc/11/96/73/347119673.db2.gz UGSRFRLJLJSUOB-SNVBAGLBSA-N 0 3 251.280 2.478 20 30 CEEDHN COCC[C@H](COC)N[C@H](C)c1cccc(C#N)c1 ZINC000336818037 365863135 /nfs/dbraw/zinc/86/31/35/365863135.db2.gz SXZNQMCLMRKUGP-IUODEOHRSA-N 0 3 262.353 2.260 20 30 CEEDHN N#Cc1cccc(CNC[C@H](CO)CC2CCCC2)n1 ZINC000602648388 347122938 /nfs/dbraw/zinc/12/29/38/347122938.db2.gz QKTJAZSJTCIVIB-CQSZACIVSA-N 0 3 273.380 2.232 20 30 CEEDHN CCC[C@@H](CN1CC[C@H](Oc2ccc(C#N)cn2)C1)OC ZINC000602670422 347134705 /nfs/dbraw/zinc/13/47/05/347134705.db2.gz CSFRATAFUYUOIB-GJZGRUSLSA-N 0 3 289.379 2.221 20 30 CEEDHN Cc1cc(CNC[C@H](C)CCC#N)nc(N2CCCC2)n1 ZINC000602675200 347136901 /nfs/dbraw/zinc/13/69/01/347136901.db2.gz ZAJSHONOHYNZIP-CYBMUJFWSA-N 0 3 287.411 2.415 20 30 CEEDHN CC(C)[C@H]1C[C@H](CNCc2cccc(C#N)n2)CCO1 ZINC000602683412 347143467 /nfs/dbraw/zinc/14/34/67/347143467.db2.gz AMRIWNLXPCTCHW-CZUORRHYSA-N 0 3 273.380 2.494 20 30 CEEDHN C[C@@H](CCC#N)CN[C@H]1Cc2ccccc2N(C)C1=O ZINC000602705455 347159887 /nfs/dbraw/zinc/15/98/87/347159887.db2.gz GEELKJBXIYIUHJ-JSGCOSHPSA-N 0 3 271.364 2.104 20 30 CEEDHN C=CCC1(NCc2cc(C(=O)OCC)no2)CCOCC1 ZINC000602710378 347163830 /nfs/dbraw/zinc/16/38/30/347163830.db2.gz UGTJXAOXBZATBL-UHFFFAOYSA-N 0 3 294.351 2.066 20 30 CEEDHN N#Cc1ccc(CN(C[C@H]2CCc3ncnn32)C2CC2)cc1 ZINC000602768389 347190726 /nfs/dbraw/zinc/19/07/26/347190726.db2.gz ICJNKYOSTPWGNY-MRXNPFEDSA-N 0 3 293.374 2.302 20 30 CEEDHN N#CCC1(CN2CCC(N3CCCCC3=O)CC2)CC1 ZINC000602783714 347197335 /nfs/dbraw/zinc/19/73/35/347197335.db2.gz FOTOAHSXTXLTHE-UHFFFAOYSA-N 0 3 275.396 2.157 20 30 CEEDHN N#CCC1(CN2CCc3ccc(O)cc3CC2)CC1 ZINC000602788214 347199026 /nfs/dbraw/zinc/19/90/26/347199026.db2.gz NESKACCVRLKDPX-UHFFFAOYSA-N 0 3 256.349 2.487 20 30 CEEDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1ccc(C#N)cc1 ZINC000602798017 347203162 /nfs/dbraw/zinc/20/31/62/347203162.db2.gz FLAANNMAIINYNO-LLVKDONJSA-N 0 3 299.334 2.322 20 30 CEEDHN CN1CCC(n2cc(NCc3cccc(C#N)n3)cn2)CC1 ZINC000602730772 347175418 /nfs/dbraw/zinc/17/54/18/347175418.db2.gz GMNKQJGSUJEFBV-UHFFFAOYSA-N 0 3 296.378 2.029 20 30 CEEDHN N#CCC1(CN[C@]2(CO)CCCc3ccccc32)CC1 ZINC000602823787 347214216 /nfs/dbraw/zinc/21/42/16/347214216.db2.gz DJSIZLDBMSVNEZ-KRWDZBQOSA-N 0 3 270.376 2.494 20 30 CEEDHN Cc1ccc(-c2nnc(CNC(C)CC#N)o2)cc1 ZINC000602864089 347230493 /nfs/dbraw/zinc/23/04/93/347230493.db2.gz QNGAJYKHOXUJHN-LLVKDONJSA-N 0 3 256.309 2.437 20 30 CEEDHN CC(C)(C#N)CCC[N@@H+]1CC[C@H](c2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000602867016 347231084 /nfs/dbraw/zinc/23/10/84/347231084.db2.gz XGBJTJSQOSYTMM-NSHDSACASA-N 0 3 290.367 2.007 20 30 CEEDHN CC(C)(C#N)CCC[N@H+]1CC[C@H](c2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000602867016 347231089 /nfs/dbraw/zinc/23/10/89/347231089.db2.gz XGBJTJSQOSYTMM-NSHDSACASA-N 0 3 290.367 2.007 20 30 CEEDHN C[C@@H](CC#N)NC[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000602871657 347232742 /nfs/dbraw/zinc/23/27/42/347232742.db2.gz TUDMUWYHDSCJEE-UONOGXRCSA-N 0 3 271.364 2.040 20 30 CEEDHN N#CCCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602906218 347243484 /nfs/dbraw/zinc/24/34/84/347243484.db2.gz JMJQBOSAXLKJSJ-UHFFFAOYSA-N 0 3 254.337 2.436 20 30 CEEDHN COCC[C@@H](c1ccccc1)N1CCN(CCC#N)CC1 ZINC000603015570 347272958 /nfs/dbraw/zinc/27/29/58/347272958.db2.gz FBPKLOJKWZVKBY-KRWDZBQOSA-N 0 3 287.407 2.295 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000603064342 347279379 /nfs/dbraw/zinc/27/93/79/347279379.db2.gz DTAINSOCHXNSCS-CYBMUJFWSA-N 0 3 290.342 2.303 20 30 CEEDHN CC(C)(C)[C@@H](N)c1cn(Cc2cccc(C#N)c2F)nn1 ZINC000603236036 347318671 /nfs/dbraw/zinc/31/86/71/347318671.db2.gz MAJGKYFQXVGPEV-AWEZNQCLSA-N 0 3 287.342 2.383 20 30 CEEDHN CC[C@@](C)(N)c1cn(Cc2ccc(C#N)cc2C)nn1 ZINC000603236009 347318687 /nfs/dbraw/zinc/31/86/87/347318687.db2.gz LUPNKWYJXNOEFP-OAHLLOKOSA-N 0 3 269.352 2.090 20 30 CEEDHN CCC[C@@H](N)c1cn(Cc2cccc(C#N)c2F)nn1 ZINC000603238742 347319286 /nfs/dbraw/zinc/31/92/86/347319286.db2.gz XHBYTEYYMDJJDC-GFCCVEGCSA-N 0 3 273.315 2.137 20 30 CEEDHN C[C@H](NC1CCN(CC#N)CC1)c1ccccc1F ZINC000609574598 347644051 /nfs/dbraw/zinc/64/40/51/347644051.db2.gz AVWSHNABJIRTDH-LBPRGKRZSA-N 0 3 261.344 2.464 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000609620208 347647273 /nfs/dbraw/zinc/64/72/73/347647273.db2.gz HXLQGDSJHIINAK-AAEUAGOBSA-N 0 3 286.331 2.281 20 30 CEEDHN COCCN(Cc1ccc(C)cc1C)C(=O)C(C)C#N ZINC000609919703 347655536 /nfs/dbraw/zinc/65/55/36/347655536.db2.gz DWGVRRZXALKYSP-AWEZNQCLSA-N 0 3 274.364 2.438 20 30 CEEDHN CC(C#N)C(=O)N1CCS[C@H](c2ccccc2)C1 ZINC000610428422 347680494 /nfs/dbraw/zinc/68/04/94/347680494.db2.gz YIERYOYJNHTIAX-YPMHNXCESA-N 0 3 260.362 2.463 20 30 CEEDHN CC(C)(C#N)CCCN1CCN(C[C@@H]2CCCO2)CC1 ZINC000610447479 347681827 /nfs/dbraw/zinc/68/18/27/347681827.db2.gz ASFASZYYLNLJRE-HNNXBMFYSA-N 0 3 279.428 2.113 20 30 CEEDHN CC[C@@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)N(C)C ZINC000610810262 347715979 /nfs/dbraw/zinc/71/59/79/347715979.db2.gz LNCGLKFJFUWPDB-FZMZJTMJSA-N 0 3 259.353 2.076 20 30 CEEDHN CCC[C@H](C#N)NC(=O)c1cccc(CN(C)C)c1 ZINC000610258073 347667581 /nfs/dbraw/zinc/66/75/81/347667581.db2.gz UMSMYQNMMIVEFO-CQSZACIVSA-N 0 3 259.353 2.170 20 30 CEEDHN C[C@H](NC[C@@H](O)COC(C)(C)C)c1cccc(C#N)c1 ZINC000611388144 347772008 /nfs/dbraw/zinc/77/20/08/347772008.db2.gz JVPBMKGPGLLWBK-SWLSCSKDSA-N 0 3 276.380 2.385 20 30 CEEDHN CC(C)NC(=O)CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390586 347772694 /nfs/dbraw/zinc/77/26/94/347772694.db2.gz JPQWXEKIBQTKHF-MRXNPFEDSA-N 0 3 285.391 2.440 20 30 CEEDHN CC(C)[C@H](NCCC(C)(C)C#N)C(=O)N1CCCC1 ZINC000611462867 347782222 /nfs/dbraw/zinc/78/22/22/347782222.db2.gz AEKKPGQRNAHRBH-ZDUSSCGKSA-N 0 3 265.401 2.163 20 30 CEEDHN CN(Cc1ccccc1)[C@@H]1CCN(CC2(C#N)CC2)C1 ZINC000611430332 347778064 /nfs/dbraw/zinc/77/80/64/347778064.db2.gz ZMVOIWAEGQWVLZ-MRXNPFEDSA-N 0 3 269.392 2.496 20 30 CEEDHN CC(=O)N1CC[C@@H](NCc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000610947042 347723916 /nfs/dbraw/zinc/72/39/16/347723916.db2.gz ABLNKFAWPXGWQS-BDJLRTHQSA-N 0 3 289.354 2.044 20 30 CEEDHN CCN1CCN(Cc2ccc(C#N)cc2OC)C[C@H]1C ZINC000611236258 347754851 /nfs/dbraw/zinc/75/48/51/347754851.db2.gz ANFMPAVXBJRXBO-CYBMUJFWSA-N 0 3 273.380 2.093 20 30 CEEDHN CCN(Cc1cc(C#N)cs1)C[C@@H]1CCOC1 ZINC000611256630 347759348 /nfs/dbraw/zinc/75/93/48/347759348.db2.gz KKUVUEBQNJGVPM-NSHDSACASA-N 0 3 250.367 2.478 20 30 CEEDHN N#CCCN1CCN(C[C@@H]2CCc3ccccc3C2)CC1 ZINC000611668376 347803730 /nfs/dbraw/zinc/80/37/30/347803730.db2.gz GMZBREVVPRWGKO-MRXNPFEDSA-N 0 3 283.419 2.323 20 30 CEEDHN Cc1cccc(CCCN2CCN(CCC#N)CC2)c1 ZINC000611501042 347786395 /nfs/dbraw/zinc/78/63/95/347786395.db2.gz VIRNZQJQQLRZAW-UHFFFAOYSA-N 0 3 271.408 2.459 20 30 CEEDHN C=C(C)CN(CC)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000130229695 365936156 /nfs/dbraw/zinc/93/61/56/365936156.db2.gz MUNQPOLFSYBCDP-OLZOCXBDSA-N 0 3 265.401 2.219 20 30 CEEDHN COc1ccc(C#N)cc1CN1CCCC[C@H]1CCO ZINC000130391290 365951802 /nfs/dbraw/zinc/95/18/02/365951802.db2.gz CFWUXLUVQGNUOO-HNNXBMFYSA-N 0 3 274.364 2.304 20 30 CEEDHN COC[C@@H]1CCCCN(Cc2ccnc(C#N)c2)C1 ZINC000613503531 348059751 /nfs/dbraw/zinc/05/97/51/348059751.db2.gz VDAKKUROCLPITP-CQSZACIVSA-N 0 3 259.353 2.202 20 30 CEEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)C1CC(O)C1 ZINC000614185824 348155400 /nfs/dbraw/zinc/15/54/00/348155400.db2.gz NDVPNBCTYIEVGF-UHFFFAOYSA-N 0 3 258.365 2.443 20 30 CEEDHN C=CCC[C@H](O)CN[C@@H](CCOC)c1ccco1 ZINC000273321415 192112479 /nfs/dbraw/zinc/11/24/79/192112479.db2.gz WZKGMFAEGILFNP-STQMWFEESA-N 0 3 253.342 2.274 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2CC[C@@H]3CCC[C@H]32)cc1 ZINC000614600984 348220863 /nfs/dbraw/zinc/22/08/63/348220863.db2.gz ZOJLDOUYOQPYCI-JKSUJKDBSA-N 0 3 283.375 2.049 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC(CCC(N)=O)CC1 ZINC000614403192 348194819 /nfs/dbraw/zinc/19/48/19/348194819.db2.gz IZHKKWYXQGMFAX-UHFFFAOYSA-N 0 3 285.391 2.344 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NCc1ccccc1CN(C)C ZINC000066308234 362859695 /nfs/dbraw/zinc/85/96/95/362859695.db2.gz XZPIIXTZWAVTBS-CQSZACIVSA-N 0 3 290.407 2.346 20 30 CEEDHN CC[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)NCC#N ZINC000066497058 362870836 /nfs/dbraw/zinc/87/08/36/362870836.db2.gz JMBXLFNOGUUQHK-HZPDHXFCSA-N 0 3 285.391 2.284 20 30 CEEDHN Cc1ccnc(N[C@H]2CN(C(C)C)C[C@H]2C)c1C#N ZINC000273340480 192118668 /nfs/dbraw/zinc/11/86/68/192118668.db2.gz NPCOFOVVZYFWJL-OCCSQVGLSA-N 0 3 258.369 2.402 20 30 CEEDHN Cc1ccnc(N(CCN(C)C)Cc2ccco2)c1C#N ZINC000273379802 192132627 /nfs/dbraw/zinc/13/26/27/192132627.db2.gz SSNPGBOTAKFZHZ-UHFFFAOYSA-N 0 3 284.363 2.423 20 30 CEEDHN N#CCC1CCN(CCC(=O)Nc2cccnc2)CC1 ZINC000616773397 348572983 /nfs/dbraw/zinc/57/29/83/348572983.db2.gz PJVSVNRXSHLMII-UHFFFAOYSA-N 0 3 272.352 2.036 20 30 CEEDHN CN(C[C@H]1CCCN1C)C(=O)Nc1cccc(C#N)c1 ZINC000335606672 212319707 /nfs/dbraw/zinc/31/97/07/212319707.db2.gz LZJKXXKZEVSWCM-CQSZACIVSA-N 0 3 272.352 2.116 20 30 CEEDHN C=CCN(C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)[C@@H](C)COC ZINC000617579008 348742090 /nfs/dbraw/zinc/74/20/90/348742090.db2.gz WAGDTWBTGDXNSB-KBXIAJHMSA-N 0 3 282.428 2.297 20 30 CEEDHN COC[C@@H](NCc1ccc(C#N)cc1C)[C@H]1CCCO1 ZINC000619060418 349107262 /nfs/dbraw/zinc/10/72/62/349107262.db2.gz VVKQVIZEIDTEHY-HZPDHXFCSA-N 0 3 274.364 2.150 20 30 CEEDHN N#Cc1cncc(NC[C@@H]2CCCN2Cc2ccccc2)n1 ZINC000401334054 233182809 /nfs/dbraw/zinc/18/28/09/233182809.db2.gz QVWVWBRPMLCZAN-INIZCTEOSA-N 0 3 293.374 2.425 20 30 CEEDHN Cc1cc(C#N)ccc1CN(C)[C@@H](C)CN1CCOCC1 ZINC000619050325 349105788 /nfs/dbraw/zinc/10/57/88/349105788.db2.gz JAUMWDOMJVUJEM-HNNXBMFYSA-N 0 3 287.407 2.019 20 30 CEEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H]1F ZINC000619388055 349167702 /nfs/dbraw/zinc/16/77/02/349167702.db2.gz DWKJWIVBSPJJHG-UHOFOFEASA-N 0 3 299.349 2.447 20 30 CEEDHN CN1Cc2ccccc2[C@H](N[C@H]2CC[C@@H](C#N)C2)C1 ZINC000619673357 349215392 /nfs/dbraw/zinc/21/53/92/349215392.db2.gz IICAAEGTWUAKJP-IVMMDQJWSA-N 0 3 255.365 2.455 20 30 CEEDHN CN1CCC[C@@H](CNc2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000619695631 349219375 /nfs/dbraw/zinc/21/93/75/349219375.db2.gz WBQNHBOCMLZJOK-JTQLQIEISA-N 0 3 298.312 2.148 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCCOC2)cc1Cl ZINC000619755731 349233077 /nfs/dbraw/zinc/23/30/77/349233077.db2.gz QQJHGTDMZKQHMT-LBPRGKRZSA-N 0 3 250.729 2.480 20 30 CEEDHN CC(C)[C@@H](C(=O)NCc1ccc(C#N)c(Cl)c1)N(C)C ZINC000619780110 349235446 /nfs/dbraw/zinc/23/54/46/349235446.db2.gz FJAVECNQEYTHRK-AWEZNQCLSA-N 0 3 293.798 2.414 20 30 CEEDHN C[C@@H](NCCC(=O)N(C)CCC#N)c1ccsc1 ZINC000619783797 349236196 /nfs/dbraw/zinc/23/61/96/349236196.db2.gz YYMUWGUJPVUMAE-LLVKDONJSA-N 0 3 265.382 2.161 20 30 CEEDHN C=CC[C@H](CO)NCc1cc(C)c(Br)cn1 ZINC000623491216 350032911 /nfs/dbraw/zinc/03/29/11/350032911.db2.gz JMAZLBQMENDEOK-SNVBAGLBSA-N 0 3 285.185 2.179 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)NC[C@H]2CCCCN2CC)C1 ZINC000623598250 350061198 /nfs/dbraw/zinc/06/11/98/350061198.db2.gz WPXGDDGIPGUSCW-HUUCEWRRSA-N 0 3 279.428 2.468 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000623748861 350100808 /nfs/dbraw/zinc/10/08/08/350100808.db2.gz KWGBQFVSABNKJA-UMVBOHGHSA-N 0 3 277.412 2.077 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000623748697 350101055 /nfs/dbraw/zinc/10/10/55/350101055.db2.gz DIXICTHVPFXZEQ-GXTWGEPZSA-N 0 3 279.428 2.371 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000623734783 350096677 /nfs/dbraw/zinc/09/66/77/350096677.db2.gz DDCSIHRPJOHHJD-MCIONIFRSA-N 0 3 277.412 2.219 20 30 CEEDHN C=CCCCNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623964938 350157007 /nfs/dbraw/zinc/15/70/07/350157007.db2.gz VCLKCOHQENQKRR-AWEZNQCLSA-N 0 3 265.401 2.269 20 30 CEEDHN C[C@H]1CCN(C)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412124638 233345567 /nfs/dbraw/zinc/34/55/67/233345567.db2.gz QMYOACPRMHKDTJ-RRQGHBQHSA-N 0 3 297.402 2.214 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1 ZINC000624336460 350264742 /nfs/dbraw/zinc/26/47/42/350264742.db2.gz RPWIVWOFQGANQJ-UONOGXRCSA-N 0 3 279.428 2.467 20 30 CEEDHN CC(C)(C)OC(=O)NC1CCC(NCCC#N)CC1 ZINC000091842660 180269300 /nfs/dbraw/zinc/26/93/00/180269300.db2.gz VRECDHIZKLUPBZ-UHFFFAOYSA-N 0 3 267.373 2.326 20 30 CEEDHN C=CC[C@H]1CCN(Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000625703887 350551640 /nfs/dbraw/zinc/55/16/40/350551640.db2.gz VJXAQHDBDCVNCS-LBPRGKRZSA-N 0 3 272.352 2.473 20 30 CEEDHN C=CC[C@@H]1CCN(Cc2cc(=O)n3c(C)csc3n2)C1 ZINC000625704015 350552062 /nfs/dbraw/zinc/55/20/62/350552062.db2.gz MRLKOXQYGCDVMR-GFCCVEGCSA-N 0 3 289.404 2.462 20 30 CEEDHN N#Cc1cccc(CNC[C@H]2COC3(CCCC3)O2)c1 ZINC000271408416 191121374 /nfs/dbraw/zinc/12/13/74/191121374.db2.gz JPCYRESJBFNBKB-HNNXBMFYSA-N 0 3 272.348 2.334 20 30 CEEDHN CC#CCCCC(=O)N(CC)C1CCN(C)CC1 ZINC000627616740 350892836 /nfs/dbraw/zinc/89/28/36/350892836.db2.gz CATZULFSMXPHEI-UHFFFAOYSA-N 0 3 250.386 2.123 20 30 CEEDHN C=C(C)CN1CCC(NCc2oc(C)nc2C)CC1 ZINC000628212230 351007449 /nfs/dbraw/zinc/00/74/49/351007449.db2.gz ZAARVVJKUJGHMU-UHFFFAOYSA-N 0 3 263.385 2.422 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1oc(C)nc1C ZINC000628258440 351030943 /nfs/dbraw/zinc/03/09/43/351030943.db2.gz FDGFCOJLOJWUAB-TZMCWYRMSA-N 0 3 250.342 2.362 20 30 CEEDHN C=CC[C@@H]1CCN(Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000628405340 351093686 /nfs/dbraw/zinc/09/36/86/351093686.db2.gz JLCZKXCHWYZROD-GFCCVEGCSA-N 0 3 261.369 2.115 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@H]2CCC[C@@H](C)C2)C1=O ZINC000337121322 366026377 /nfs/dbraw/zinc/02/63/77/366026377.db2.gz AELSBEIQHOUTTE-RDBSUJKOSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCN1CC[C@H](N[C@@H]2C[C@H](OCC)C2(CC)CC)C1=O ZINC000337182892 366058016 /nfs/dbraw/zinc/05/80/16/366058016.db2.gz BMKUHYLLJWWOQZ-ZNMIVQPWSA-N 0 3 294.439 2.347 20 30 CEEDHN C=CCN1CC[C@H](N2CCS[C@@H]3CCCC[C@H]32)C1=O ZINC000337183080 366059537 /nfs/dbraw/zinc/05/95/37/366059537.db2.gz NDFPVKXDCNRPPT-HZSPNIEDSA-N 0 3 280.437 2.133 20 30 CEEDHN C=CCN1CC[C@@H](NC(C)(C)c2cccs2)C1=O ZINC000337185657 366061443 /nfs/dbraw/zinc/06/14/43/366061443.db2.gz CSWNNILDOSMICN-LLVKDONJSA-N 0 3 264.394 2.360 20 30 CEEDHN C=C1CC(C)(C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000630744647 351840083 /nfs/dbraw/zinc/84/00/83/351840083.db2.gz ZBFOFAHTYIZIJC-GFCCVEGCSA-N 0 3 250.386 2.191 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)c2sccc2C#N)CCN1C ZINC000123236770 187079619 /nfs/dbraw/zinc/07/96/19/187079619.db2.gz CHAYPSPIDQYOML-ZYHUDNBSSA-N 0 3 277.393 2.174 20 30 CEEDHN C#CCN1CCC(C(=O)NCCc2ccc(CC)cc2)CC1 ZINC000123300916 187083574 /nfs/dbraw/zinc/08/35/74/187083574.db2.gz WDPQJCDKICIQQM-UHFFFAOYSA-N 0 3 298.430 2.253 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)c2ccncc2)CC1 ZINC000630941645 351895597 /nfs/dbraw/zinc/89/55/97/351895597.db2.gz DAISGHXTHDJCGH-CQSZACIVSA-N 0 3 287.407 2.342 20 30 CEEDHN Cc1nc(N[C@H]2CN(C3CC3)C[C@@H]2C)ccc1C#N ZINC000292100587 198162816 /nfs/dbraw/zinc/16/28/16/198162816.db2.gz ZHILMXPZYAKTNF-HZMBPMFUSA-N 0 3 256.353 2.156 20 30 CEEDHN C#CCCOc1ccc(CN[C@@H](C)[C@@H](CO)SC)cc1 ZINC000152477941 188022308 /nfs/dbraw/zinc/02/23/08/188022308.db2.gz ZSHPPGWIFNPGGV-XJKSGUPXSA-N 0 3 293.432 2.291 20 30 CEEDHN C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000152949364 188055415 /nfs/dbraw/zinc/05/54/15/188055415.db2.gz SARRSXTVKPPTLP-TZMCWYRMSA-N 0 3 262.397 2.496 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1CCC(C)(c2ccccc2)CC1 ZINC000153895779 188109742 /nfs/dbraw/zinc/10/97/42/188109742.db2.gz GVNRMXJEVRDZEN-HNNXBMFYSA-N 0 3 284.403 2.178 20 30 CEEDHN C=C(Cl)CNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000157018349 188293548 /nfs/dbraw/zinc/29/35/48/188293548.db2.gz FPIDJUHKEMKIMC-ZYHUDNBSSA-N 0 3 252.745 2.191 20 30 CEEDHN CC(C)N(CCN(C)C)C(=O)NCc1cccc(C#N)c1 ZINC000157506868 188322380 /nfs/dbraw/zinc/32/23/80/188322380.db2.gz COJCTZWVPASKEV-UHFFFAOYSA-N 0 3 288.395 2.040 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000132305551 366133882 /nfs/dbraw/zinc/13/38/82/366133882.db2.gz AOUQOTYJJDIDNJ-ZIAGYGMSSA-N 0 3 298.427 2.303 20 30 CEEDHN CCCCNC(=O)C1(NCCCC#N)CCCCC1 ZINC000132811343 366172637 /nfs/dbraw/zinc/17/26/37/366172637.db2.gz GXGZNTFSKQSSFY-UHFFFAOYSA-N 0 3 265.401 2.499 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000338126170 366202731 /nfs/dbraw/zinc/20/27/31/366202731.db2.gz XJGUMGUVOSFQQV-AWEZNQCLSA-N 0 3 285.391 2.281 20 30 CEEDHN N#Cc1c(N2CC[C@@H](N3CCCCC3)C2)nc2ccccn12 ZINC000272954288 283079822 /nfs/dbraw/zinc/07/98/22/283079822.db2.gz YINQRVYBQHDTOG-CQSZACIVSA-N 0 3 295.390 2.271 20 30 CEEDHN C=CCCN[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271784268 191325193 /nfs/dbraw/zinc/32/51/93/191325193.db2.gz GNDOGRMZIBBLQV-GFCCVEGCSA-N 0 3 282.409 2.164 20 30 CEEDHN N#Cc1cccc(C2(NCCn3cccn3)CC2)c1 ZINC000271853858 191367737 /nfs/dbraw/zinc/36/77/37/191367737.db2.gz XYCUJSAKCHBSLR-UHFFFAOYSA-N 0 3 252.321 2.034 20 30 CEEDHN C#Cc1cccc(NC(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000272984667 192008696 /nfs/dbraw/zinc/00/86/96/192008696.db2.gz PLKJWEAPIMNONO-CYBMUJFWSA-N 0 3 283.375 2.440 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC[C@](C)(CC)C1 ZINC000075998929 363506239 /nfs/dbraw/zinc/50/62/39/363506239.db2.gz ZQALWSAMXXBJMP-HNNXBMFYSA-N 0 3 265.401 2.261 20 30 CEEDHN C=CCCCN(C)CC(=O)NCCc1ccccc1OC ZINC000076734699 363543513 /nfs/dbraw/zinc/54/35/13/363543513.db2.gz BIZOTCALHRURGH-UHFFFAOYSA-N 0 3 290.407 2.252 20 30 CEEDHN C[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CCS1 ZINC000134343083 366311041 /nfs/dbraw/zinc/31/10/41/366311041.db2.gz WBYRTSQLZLDCQZ-LBPRGKRZSA-N 0 3 289.404 2.324 20 30 CEEDHN N#Cc1cc(NC[C@H](c2ccccc2)N2CCCC2)ncn1 ZINC000575819828 366364797 /nfs/dbraw/zinc/36/47/97/366364797.db2.gz FRLWAOGXYUVVDX-MRXNPFEDSA-N 0 3 293.374 2.019 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccnn2C(F)F)CC1 ZINC000668369910 538894094 /nfs/dbraw/zinc/89/40/94/538894094.db2.gz IFZXFMZVFSICJE-UHFFFAOYSA-N 0 3 298.337 2.049 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2cc(C#N)n(C)c2)C12CCC2 ZINC000191198549 535409202 /nfs/dbraw/zinc/40/92/02/535409202.db2.gz YVXXQZWFZNPJHZ-HUUCEWRRSA-N 0 3 273.380 2.334 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000336207847 213029973 /nfs/dbraw/zinc/02/99/73/213029973.db2.gz BDLNCTDABDIWGX-INIZCTEOSA-N 0 3 283.375 2.033 20 30 CEEDHN N#Cc1ccc(CNC2CCN(c3ccccn3)CC2)o1 ZINC000135149002 366402779 /nfs/dbraw/zinc/40/27/79/366402779.db2.gz LVHHGOCPNWORLY-UHFFFAOYSA-N 0 3 282.347 2.305 20 30 CEEDHN C=CCCN1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000338542924 366402823 /nfs/dbraw/zinc/40/28/23/366402823.db2.gz UQGGLLAVCCVWGY-IRXDYDNUSA-N 0 3 272.392 2.148 20 30 CEEDHN Cc1c(Cl)cnc(N2CCNC[C@@](C)(F)C2)c1C#N ZINC000578427506 366492206 /nfs/dbraw/zinc/49/22/06/366492206.db2.gz WWBFAYBWKDVVCB-CYBMUJFWSA-N 0 3 282.750 2.053 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000136214354 366503808 /nfs/dbraw/zinc/50/38/08/366503808.db2.gz CHSIXIYXEILKAM-GXTWGEPZSA-N 0 3 253.390 2.019 20 30 CEEDHN C=CCOCCCC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000079776048 363628159 /nfs/dbraw/zinc/62/81/59/363628159.db2.gz MMNMXHKFZKEAOC-OAHLLOKOSA-N 0 3 282.428 2.206 20 30 CEEDHN C=C(C)CN1CCC(Nc2ncnc3onc(C)c32)CC1 ZINC000192451741 540516228 /nfs/dbraw/zinc/51/62/28/540516228.db2.gz DKBKXKPGHJVEGC-UHFFFAOYSA-N 0 3 287.367 2.379 20 30 CEEDHN C=C[C@@](C)(O)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000668181557 540580981 /nfs/dbraw/zinc/58/09/81/540580981.db2.gz MLKVGHFDPNOKJP-CXAGYDPISA-N 0 3 290.407 2.169 20 30 CEEDHN C=CCCCCCN(C)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000150902311 366604018 /nfs/dbraw/zinc/60/40/18/366604018.db2.gz RSGCQCGZBQCECO-CYBMUJFWSA-N 0 3 283.416 2.287 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](O)Cc2ccc(F)cc2)s1 ZINC000579228737 366612712 /nfs/dbraw/zinc/61/27/12/366612712.db2.gz ZQZLXGKSZCMZFT-ZDUSSCGKSA-N 0 3 290.363 2.452 20 30 CEEDHN N#CCC[C@H](C#N)CNC1CCN(c2nccs2)CC1 ZINC000579630249 366676657 /nfs/dbraw/zinc/67/66/57/366676657.db2.gz UQQXHHNOEGKIDR-GFCCVEGCSA-N 0 3 289.408 2.145 20 30 CEEDHN C=CCOCCN1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000339153899 366679304 /nfs/dbraw/zinc/67/93/04/366679304.db2.gz IDJNUYDGJZIIHE-HZPDHXFCSA-N 0 3 289.375 2.078 20 30 CEEDHN CC#CCN1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000081559642 363729998 /nfs/dbraw/zinc/72/99/98/363729998.db2.gz RSFAXQIHRJACHB-GFCCVEGCSA-N 0 3 262.319 2.216 20 30 CEEDHN C[C@H]1OCC[C@H]1NCC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000330276879 291232472 /nfs/dbraw/zinc/23/24/72/291232472.db2.gz NNUPPPPXPYSROV-FDYHWXHSSA-N 0 3 297.399 2.203 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@@H](C)c2ccncc2)CC1 ZINC000676110632 540898882 /nfs/dbraw/zinc/89/88/82/540898882.db2.gz HOWTUSBNZWJBBE-CQSZACIVSA-N 0 3 287.407 2.342 20 30 CEEDHN CCC#C[C@H](C)N1CCC2(CC1)[C@H](O)C[C@@H]2OCC ZINC000677048451 540976038 /nfs/dbraw/zinc/97/60/38/540976038.db2.gz XVQRIGFOJOYWBS-ZNMIVQPWSA-N 0 3 265.397 2.040 20 30 CEEDHN CN(Cc1ccc(C#N)s1)C[C@@H]1CCC[C@@H]1O ZINC000180532247 189260773 /nfs/dbraw/zinc/26/07/73/189260773.db2.gz DFWIYGFAIPPLJG-GWCFXTLKSA-N 0 3 250.367 2.213 20 30 CEEDHN COCC#CCN(CCCO)[C@H]1CCc2ccccc21 ZINC000677478964 541017961 /nfs/dbraw/zinc/01/79/61/541017961.db2.gz GQZJRJXUXSQDIM-KRWDZBQOSA-N 0 3 273.376 2.008 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000677479940 541018714 /nfs/dbraw/zinc/01/87/14/541018714.db2.gz RUPYCZOOUCZBDA-MRXNPFEDSA-N 0 3 294.439 2.084 20 30 CEEDHN COc1ccc(CN2[C@@H](CO)CCC[C@@H]2C)cc1C#N ZINC000181379808 189294999 /nfs/dbraw/zinc/29/49/99/189294999.db2.gz GHKQCRCDDTZBBX-SWLSCSKDSA-N 0 3 274.364 2.302 20 30 CEEDHN COCC#CCNC1(c2ccc(F)cc2)CCOCC1 ZINC000677818758 541046515 /nfs/dbraw/zinc/04/65/15/541046515.db2.gz HSOUTCGUMHEWFU-UHFFFAOYSA-N 0 3 277.339 2.071 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N(CC)CC(CC)CC ZINC000153884634 366742579 /nfs/dbraw/zinc/74/25/79/366742579.db2.gz BGEDRHRTHTUNIA-LBPRGKRZSA-N 0 3 283.416 2.145 20 30 CEEDHN C#CCN1CCC(C(=O)NCC2(CC)CCCC2)CC1 ZINC000154666924 366784265 /nfs/dbraw/zinc/78/42/65/366784265.db2.gz DHCMOFTWGHURTJ-UHFFFAOYSA-N 0 3 276.424 2.418 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNc1cccnc1C#N ZINC000581758933 366819933 /nfs/dbraw/zinc/81/99/33/366819933.db2.gz LAIKJCMADWIWQE-CQSZACIVSA-N 0 3 258.369 2.486 20 30 CEEDHN C=C(C)[C@H](CO)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000678779322 541171770 /nfs/dbraw/zinc/17/17/70/541171770.db2.gz BJOUHRPWJHGUMB-BBRMVZONSA-N 0 3 271.364 2.460 20 30 CEEDHN COCC#CCN[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000678775325 541171832 /nfs/dbraw/zinc/17/18/32/541171832.db2.gz XDBPHNJZKVEELR-HOTGVXAUSA-N 0 3 259.349 2.004 20 30 CEEDHN C=CCOCCNCc1cc(-c2ccccc2)n[nH]1 ZINC000679486448 541279901 /nfs/dbraw/zinc/27/99/01/541279901.db2.gz MSOJTNJFGJFHKF-UHFFFAOYSA-N 0 3 257.337 2.369 20 30 CEEDHN COC[C@@H](NCc1cc(C#N)ccc1F)C(C)C ZINC000086699621 363837243 /nfs/dbraw/zinc/83/72/43/363837243.db2.gz SLWLKQAKVQRULS-CQSZACIVSA-N 0 3 250.317 2.458 20 30 CEEDHN COC[C@H](NCc1cc(C#N)ccc1F)C(C)C ZINC000086699624 363837487 /nfs/dbraw/zinc/83/74/87/363837487.db2.gz SLWLKQAKVQRULS-AWEZNQCLSA-N 0 3 250.317 2.458 20 30 CEEDHN C=C(C)CN(C)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000679381983 541268200 /nfs/dbraw/zinc/26/82/00/541268200.db2.gz RAFKEHNBBBQBCZ-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCOCCN[C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000679576676 541292967 /nfs/dbraw/zinc/29/29/67/541292967.db2.gz RAWQWJWDTUQTOV-HNNXBMFYSA-N 0 3 290.407 2.376 20 30 CEEDHN C=CCCCCCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550264 364062904 /nfs/dbraw/zinc/06/29/04/364062904.db2.gz ZFKMPODCAMXIDU-UHFFFAOYSA-N 0 3 293.367 2.435 20 30 CEEDHN CCc1nn(C)c(OC)c1CNCC(C)(C)CCC#N ZINC000093115124 364142765 /nfs/dbraw/zinc/14/27/65/364142765.db2.gz QZZJWLGWXKOKCB-UHFFFAOYSA-N 0 3 278.400 2.411 20 30 CEEDHN CN(Cc1ccc(C#N)o1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000093609182 364203227 /nfs/dbraw/zinc/20/32/27/364203227.db2.gz PURKAYRZMIFJMQ-MCIONIFRSA-N 0 3 260.337 2.397 20 30 CEEDHN CN(C)CCSc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000095020305 364324466 /nfs/dbraw/zinc/32/44/66/364324466.db2.gz OCPDMTHNELGOMR-UHFFFAOYSA-N 0 3 251.311 2.120 20 30 CEEDHN C=C(C)COCCNCc1cnc2ccc(C)cn12 ZINC000157620565 366847533 /nfs/dbraw/zinc/84/75/33/366847533.db2.gz GJQSZIAIXZOZDN-UHFFFAOYSA-N 0 3 259.353 2.325 20 30 CEEDHN C[C@](C#N)(NC(=O)CN(C1CC1)C1CCCC1)C1CC1 ZINC000103466439 364656012 /nfs/dbraw/zinc/65/60/12/364656012.db2.gz PHZWRUUQLXAIKM-MRXNPFEDSA-N 0 3 275.396 2.202 20 30 CEEDHN CC(C#N)C(=O)N1CCC(c2c[nH]c3ncccc32)CC1 ZINC000335323510 364685287 /nfs/dbraw/zinc/68/52/87/364685287.db2.gz CMHYHUHZPPGXSW-NSHDSACASA-N 0 3 282.347 2.429 20 30 CEEDHN CC(C)N1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000103139839 364630727 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CEEDHN C[C@H](C[S@@](C)=O)N(C)CCCOc1cccc(C#N)c1 ZINC000185122801 368751672 /nfs/dbraw/zinc/75/16/72/368751672.db2.gz RQBCFJIHNMXSOK-ZUOKHONESA-N 0 3 294.420 2.026 20 30 CEEDHN C=CCOCCCN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000348183209 368939537 /nfs/dbraw/zinc/93/95/37/368939537.db2.gz SWAKFUVXYLLBTP-NWDGAFQWSA-N 0 3 281.318 2.214 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000186688320 369019214 /nfs/dbraw/zinc/01/92/14/369019214.db2.gz ZFTLDNGZZQWOKA-YNKQFZHNSA-N 0 3 267.394 2.012 20 30 CEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000186690086 369020752 /nfs/dbraw/zinc/02/07/52/369020752.db2.gz GGXXCXXGXZBBDW-OCCSQVGLSA-N 0 3 277.364 2.436 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc2c(c1)COC(C)(C)O2 ZINC000187518875 369171509 /nfs/dbraw/zinc/17/15/09/369171509.db2.gz MVUWLHHBLYUYRV-CQSZACIVSA-N 0 3 277.364 2.358 20 30 CEEDHN C=CCC1(C(=O)Nc2cnn(CCN(C)C)c2)CCC1 ZINC000682889117 541730966 /nfs/dbraw/zinc/73/09/66/541730966.db2.gz UIBOZTWWDBFADE-UHFFFAOYSA-N 0 3 276.384 2.130 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CEEDHN C=CCc1cc(CN[C@H]2C[C@H](O)C2(C)C)cc(OC)c1O ZINC000189335307 369499513 /nfs/dbraw/zinc/49/95/13/369499513.db2.gz QUURRTGWYHMFHX-GJZGRUSLSA-N 0 3 291.391 2.378 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](COC)C1 ZINC000246599009 370983322 /nfs/dbraw/zinc/98/33/22/370983322.db2.gz AINQELSICLMHFX-LSDHHAIUSA-N 0 3 282.428 2.158 20 30 CEEDHN CC[C@@]1(CO)CCCN1Cc1ccc(F)c(C#N)c1 ZINC000189621437 369547469 /nfs/dbraw/zinc/54/74/69/369547469.db2.gz YCIXETKIWFUDNL-HNNXBMFYSA-N 0 3 262.328 2.434 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)c2cccc(F)c2C#N)CN1C1CC1 ZINC000190185181 369603048 /nfs/dbraw/zinc/60/30/48/369603048.db2.gz NVYFLTJGAISUSA-QWRGUYRKSA-N 0 3 287.338 2.052 20 30 CEEDHN CC(C#N)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351615604 369643451 /nfs/dbraw/zinc/64/34/51/369643451.db2.gz OPGRCADLPAVIMU-QMMMGPOBSA-N 0 3 281.699 2.067 20 30 CEEDHN C=CC[C@@H](CO)NCc1cnc(-c2ccncc2)s1 ZINC000351608019 369643759 /nfs/dbraw/zinc/64/37/59/369643759.db2.gz YBBRFSAYXPOODW-LBPRGKRZSA-N 0 3 275.377 2.232 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1cc(C)no1 ZINC000351650529 369647114 /nfs/dbraw/zinc/64/71/14/369647114.db2.gz WZAUYHWSTSZDIV-CHWSQXEVSA-N 0 3 250.342 2.447 20 30 CEEDHN Cc1nccn1C[C@H]1CCCN1Cc1cc(C#N)n(C)c1 ZINC000191425947 369711650 /nfs/dbraw/zinc/71/16/50/369711650.db2.gz UVMUGEDTAGHKOE-OAHLLOKOSA-N 0 3 283.379 2.066 20 30 CEEDHN C=CCN(CCOC)C[C@H](O)COc1cc(C)cc(C)c1 ZINC000191074557 369676070 /nfs/dbraw/zinc/67/60/70/369676070.db2.gz PLNQZRSIAOQEIV-INIZCTEOSA-N 0 3 293.407 2.178 20 30 CEEDHN C=CCCCN1CCSC[C@@H]1c1cnn(C)c1 ZINC000191191234 369689265 /nfs/dbraw/zinc/68/92/65/369689265.db2.gz BVARALMOVJPWJI-CYBMUJFWSA-N 0 3 251.399 2.476 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000352360038 369689302 /nfs/dbraw/zinc/68/93/02/369689302.db2.gz LBRGYOJBVTYWGJ-INIZCTEOSA-N 0 3 282.428 2.158 20 30 CEEDHN N#Cc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3O)cc1F ZINC000192029019 369765624 /nfs/dbraw/zinc/76/56/24/369765624.db2.gz ALOXBEKJSCRSIZ-MZBDJJRSSA-N 0 3 274.339 2.290 20 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C#Cc1cccc(NC(=O)C2CCN(C3CC3)CC2)c1 ZINC000195323944 370125963 /nfs/dbraw/zinc/12/59/63/370125963.db2.gz YGPDXXOXCZSPKU-UHFFFAOYSA-N 0 3 268.360 2.481 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC[C@H](C)C(C)(C)C1 ZINC000354024514 370183441 /nfs/dbraw/zinc/18/34/41/370183441.db2.gz PZVKZRVKMURFKX-ZDUSSCGKSA-N 0 3 265.401 2.117 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ocnc1C)C(C)C ZINC000354313304 370311206 /nfs/dbraw/zinc/31/12/06/370311206.db2.gz SLMYTAZHEKMKPH-AWEZNQCLSA-N 0 3 291.395 2.411 20 30 CEEDHN CC[C@H](C)CN1CCN(c2cccc(C#N)n2)CC1 ZINC000355083717 370501598 /nfs/dbraw/zinc/50/15/98/370501598.db2.gz SYTVWBYJQADVQC-ZDUSSCGKSA-N 0 3 258.369 2.121 20 30 CEEDHN CC1CCN(CCNc2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000232833656 370512445 /nfs/dbraw/zinc/51/24/45/370512445.db2.gz KBINXDNCZPJXKM-UHFFFAOYSA-N 0 3 289.339 2.005 20 30 CEEDHN COc1cc(CNC[C@@H](O)c2ccsc2)ccc1C#N ZINC000231983854 370498814 /nfs/dbraw/zinc/49/88/14/370498814.db2.gz DETNQMMKJQKQMB-CQSZACIVSA-N 0 3 288.372 2.452 20 30 CEEDHN C=CC(C)(C)CCNC(=O)[C@@H]1NCCCC1(C)C ZINC000638455564 370542822 /nfs/dbraw/zinc/54/28/22/370542822.db2.gz XZFLWSYUZYPHRO-LBPRGKRZSA-N 0 3 252.402 2.483 20 30 CEEDHN C=CC(C)(C)CCNC(=O)[C@@H](CN)c1ccccc1 ZINC000638454613 370543545 /nfs/dbraw/zinc/54/35/45/370543545.db2.gz JZCUPLHQKHVSLB-AWEZNQCLSA-N 0 3 260.381 2.447 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000638474376 370557082 /nfs/dbraw/zinc/55/70/82/370557082.db2.gz LJCJSZWMYYYYGI-CYBMUJFWSA-N 0 3 270.376 2.371 20 30 CEEDHN CN1CCC(Nc2nc(Cl)c(C#N)s2)CC1 ZINC000234317504 370533429 /nfs/dbraw/zinc/53/34/29/370533429.db2.gz TXHZVYIJBQWPIM-UHFFFAOYSA-N 0 3 256.762 2.174 20 30 CEEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000355780915 370615344 /nfs/dbraw/zinc/61/53/44/370615344.db2.gz JFTLCETYYDEAQL-IATRGZMQSA-N 0 3 277.412 2.161 20 30 CEEDHN C=C[C@H](C)N[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000358294254 370998782 /nfs/dbraw/zinc/99/87/82/370998782.db2.gz JGZPNAXRDQZOEB-STQMWFEESA-N 0 3 294.420 2.452 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(OC)ns1 ZINC000639145422 371021194 /nfs/dbraw/zinc/02/11/94/371021194.db2.gz KYSVOZXNIPIWIF-ZWNOBZJWSA-N 0 3 268.382 2.223 20 30 CEEDHN COCC[C@@](C)(O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358588483 371128204 /nfs/dbraw/zinc/12/82/04/371128204.db2.gz LVDAPAXHPFHDMT-IAQYHMDHSA-N 0 3 280.343 2.135 20 30 CEEDHN CC[S@](=O)[C@H]1CCC[C@@H](NCc2cc(C#N)n(C)c2)C1 ZINC000249338228 371314467 /nfs/dbraw/zinc/31/44/67/371314467.db2.gz DAJJXFVTUHVLAB-AFBRZQFHSA-N 0 3 293.436 2.066 20 30 CEEDHN C[C@H](CNC(=O)c1sccc1C#N)N1CCC[C@H](C)C1 ZINC000250347121 371382569 /nfs/dbraw/zinc/38/25/69/371382569.db2.gz ZUJHGEGYXARHRV-NWDGAFQWSA-N 0 3 291.420 2.470 20 30 CEEDHN CO[C@@H]1CN(CCOc2ccccc2C#N)CC[C@H]1C ZINC000251895816 371423018 /nfs/dbraw/zinc/42/30/18/371423018.db2.gz QPTNPDDJGMWTIC-CZUORRHYSA-N 0 3 274.364 2.294 20 30 CEEDHN CC[C@H](C)[C@@H](C)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360100348 371503966 /nfs/dbraw/zinc/50/39/66/371503966.db2.gz XPCQYXFAGWNUTE-MISXGVKJSA-N 0 3 259.353 2.109 20 30 CEEDHN CO[C@@](C)(CNCc1cnc2ccc(C#N)cn12)C1CC1 ZINC000361143624 371678764 /nfs/dbraw/zinc/67/87/64/371678764.db2.gz LBLUXGCAHVKQPN-INIZCTEOSA-N 0 3 284.363 2.111 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](C(C)(C)C)C1 ZINC000361526891 371898475 /nfs/dbraw/zinc/89/84/75/371898475.db2.gz QHYNETHRXPIMGK-CHWSQXEVSA-N 0 3 295.427 2.145 20 30 CEEDHN C=CCC1(C(=O)N[C@@H](CO)CN2CCCC2)CCCCC1 ZINC000640320529 371906224 /nfs/dbraw/zinc/90/62/24/371906224.db2.gz SQYAMSFGVYLRTN-OAHLLOKOSA-N 0 3 294.439 2.086 20 30 CEEDHN CN(CCOCc1ccc(C#N)cc1)C[C@H](O)C(C)(C)C ZINC000344122147 217061229 /nfs/dbraw/zinc/06/12/29/217061229.db2.gz PUTDNCOUDGKTGF-INIZCTEOSA-N 0 3 290.407 2.414 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCCN(c2ccncc2)CC1 ZINC000640443970 371983153 /nfs/dbraw/zinc/98/31/53/371983153.db2.gz SOJXNTLZJNXDHW-UHFFFAOYSA-N 0 3 273.380 2.333 20 30 CEEDHN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)CCCN1C ZINC000361631448 371989340 /nfs/dbraw/zinc/98/93/40/371989340.db2.gz 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/nfs/dbraw/zinc/24/82/55/372248255.db2.gz UYIZRPLUXNCPLI-ZDUSSCGKSA-N 0 3 258.365 2.039 20 30 CEEDHN C[C@H](NC(=O)[C@@H](C)c1cccc(C#N)c1)C1=CCN(C)CC1 ZINC000362226552 372275736 /nfs/dbraw/zinc/27/57/36/372275736.db2.gz HVZALBNTEGNDNQ-KBPBESRZSA-N 0 3 297.402 2.428 20 30 CEEDHN CN(C)CCN(C)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269083390 372336540 /nfs/dbraw/zinc/33/65/40/372336540.db2.gz ALTXIXFDXOLGTC-UHFFFAOYSA-N 0 3 280.759 2.237 20 30 CEEDHN CN1CCC(NC(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000269173819 372365117 /nfs/dbraw/zinc/36/51/17/372365117.db2.gz YCWGKAXXDBMFBL-UHFFFAOYSA-N 0 3 292.770 2.427 20 30 CEEDHN CC(C)NC(=O)[C@@H]1CCC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000344373459 217174604 /nfs/dbraw/zinc/17/46/04/217174604.db2.gz SNOQCDIFVCNIHC-CHWSQXEVSA-N 0 3 289.379 2.324 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CCCN(C(C)C)CC1 ZINC000269655796 372520824 /nfs/dbraw/zinc/52/08/24/372520824.db2.gz FGSWYNYZJRBBIG-UHFFFAOYSA-N 0 3 285.391 2.423 20 30 CEEDHN CC(C)OCCN1CCC(Nc2cnccc2C#N)CC1 ZINC000269974249 372620202 /nfs/dbraw/zinc/62/02/02/372620202.db2.gz PAVWMMNVEBCDAI-UHFFFAOYSA-N 0 3 288.395 2.255 20 30 CEEDHN C=C(C)CN1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000363666980 372644572 /nfs/dbraw/zinc/64/45/72/372644572.db2.gz ZITZDGSGAAWDPH-ZDUSSCGKSA-N 0 3 259.353 2.308 20 30 CEEDHN C=CCC[C@@H](CO)NCc1c(C)nn(CCC)c1C ZINC000641759926 372697515 /nfs/dbraw/zinc/69/75/15/372697515.db2.gz KEZAUKRVECJROE-AWEZNQCLSA-N 0 3 265.401 2.327 20 30 CEEDHN C=CCC[C@@H](CO)NCc1c(C2CCC2)cnn1C ZINC000641760616 372698303 /nfs/dbraw/zinc/69/83/03/372698303.db2.gz VLILWUVRYKPYRD-ZDUSSCGKSA-N 0 3 263.385 2.104 20 30 CEEDHN CC#CC[C@@H](CO)NCc1ccc(F)c2cccnc12 ZINC000641768045 372708067 /nfs/dbraw/zinc/70/80/67/372708067.db2.gz VGHASEVKDGDPIQ-ZDUSSCGKSA-N 0 3 272.323 2.238 20 30 CEEDHN C#C[C@@H](NC(=O)C1CCN(Cc2cccnc2)CC1)C(C)C ZINC000366845668 373127274 /nfs/dbraw/zinc/12/72/74/373127274.db2.gz AEBXFFRAOVRMJN-QGZVFWFLSA-N 0 3 299.418 2.068 20 30 CEEDHN COCC[C@](C)(O)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271916664 373213172 /nfs/dbraw/zinc/21/31/72/373213172.db2.gz CNMAVVVJKSNXFZ-NHYWBVRUSA-N 0 3 280.343 2.135 20 30 CEEDHN C#CCCN1CCN(CCCOc2ccc(F)cc2)CC1 ZINC000272061502 373287635 /nfs/dbraw/zinc/28/76/35/373287635.db2.gz WWMOCIVABLRGGO-UHFFFAOYSA-N 0 3 290.382 2.236 20 30 CEEDHN C=CCCC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369162009 373348060 /nfs/dbraw/zinc/34/80/60/373348060.db2.gz HPQOAKGHIOYLEX-INIZCTEOSA-N 0 3 287.407 2.376 20 30 CEEDHN CC[C@H](O)CNCC#Cc1cccc(C(F)(F)F)c1 ZINC000644515294 373505508 /nfs/dbraw/zinc/50/55/08/373505508.db2.gz AINDJJIHCOFIEQ-ZDUSSCGKSA-N 0 3 271.282 2.417 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000644630099 373571361 /nfs/dbraw/zinc/57/13/61/373571361.db2.gz LTTKBHFLWDNFOX-ZDUSSCGKSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCOc1cccc(CNC[C@@H](COC)OC)c1 ZINC000272698679 373621372 /nfs/dbraw/zinc/62/13/72/373621372.db2.gz RIIULVKGTVNJLY-HNNXBMFYSA-N 0 3 265.353 2.002 20 30 CEEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000272956610 373731341 /nfs/dbraw/zinc/73/13/41/373731341.db2.gz NBEMACPPUNOHDL-SPKLELGKSA-N 0 3 281.421 2.402 20 30 CEEDHN C=CCNC(=O)CN1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000371754629 373971822 /nfs/dbraw/zinc/97/18/22/373971822.db2.gz HGSAFSNFDOYMPQ-HOCLYGCPSA-N 0 3 272.392 2.414 20 30 CEEDHN C=C(C)CCN(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000274801285 374054922 /nfs/dbraw/zinc/05/49/22/374054922.db2.gz RFCKMXWZRPCDHS-LBPRGKRZSA-N 0 3 282.409 2.293 20 30 CEEDHN C=CC[C@H](C(=O)N(C)CCN(C)C)c1ccccc1 ZINC000275201719 374184689 /nfs/dbraw/zinc/18/46/89/374184689.db2.gz YPEGGNHONGUQGU-HNNXBMFYSA-N 0 3 260.381 2.366 20 30 CEEDHN C=CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000275189137 374180531 /nfs/dbraw/zinc/18/05/31/374180531.db2.gz CMDYUTICMLIQBG-OAHLLOKOSA-N 0 3 273.380 2.088 20 30 CEEDHN CCSCCNCc1ccc(OCC#N)cc1 ZINC000275832058 374220415 /nfs/dbraw/zinc/22/04/15/374220415.db2.gz SQFNVHYZYHOWSH-UHFFFAOYSA-N 0 3 250.367 2.432 20 30 CEEDHN Cc1nc(C)n(C[C@H]2CCCN2Cc2cccc(C#N)c2)n1 ZINC000372955314 374229177 /nfs/dbraw/zinc/22/91/77/374229177.db2.gz NPVSCXDANKSDHX-QGZVFWFLSA-N 0 3 295.390 2.431 20 30 CEEDHN CN1CCC(n2ccc(NCc3cccc(C#N)c3)n2)CC1 ZINC000373313923 374326579 /nfs/dbraw/zinc/32/65/79/374326579.db2.gz RBIMQJBSTHJNLG-UHFFFAOYSA-N 0 3 295.390 2.055 20 30 CEEDHN N#Cc1ccc(NC[C@H]2CCCCN2C2CC2)nc1 ZINC000277467418 374531969 /nfs/dbraw/zinc/53/19/69/374531969.db2.gz POQAHXNZGIVFOK-CQSZACIVSA-N 0 3 256.353 2.382 20 30 CEEDHN CC#CC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000277494131 374542525 /nfs/dbraw/zinc/54/25/25/374542525.db2.gz RMCIEOKQIWRREM-OAHLLOKOSA-N 0 3 258.365 2.209 20 30 CEEDHN C=C(C)CN(C)CCN1c2ccccc2O[C@H](C)C1=O ZINC000374854398 374633966 /nfs/dbraw/zinc/63/39/66/374633966.db2.gz FOYWGSVHNTZONK-CYBMUJFWSA-N 0 3 274.364 2.308 20 30 CEEDHN C#CCOc1ccccc1CN1CCC12CCOCC2 ZINC000375728429 374673714 /nfs/dbraw/zinc/67/37/14/374673714.db2.gz BMYVSKLKPQAAGA-UHFFFAOYSA-N 0 3 271.360 2.454 20 30 CEEDHN Cc1ccnc(NCCCN2CCCO[C@H](C)C2)c1C#N ZINC000278187566 374745298 /nfs/dbraw/zinc/74/52/98/374745298.db2.gz PZFOXAAVZSJAHS-CQSZACIVSA-N 0 3 288.395 2.175 20 30 CEEDHN N#Cc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000278101931 374723056 /nfs/dbraw/zinc/72/30/56/374723056.db2.gz ZLQCKIVAYXZBLR-MRXNPFEDSA-N 0 3 283.375 2.305 20 30 CEEDHN C#CC(C)(C)N(C)C[C@@H](O)COc1cccc(C)c1 ZINC000279398154 374861723 /nfs/dbraw/zinc/86/17/23/374861723.db2.gz ZJYSWNSKPGPANQ-CQSZACIVSA-N 0 3 261.365 2.078 20 30 CEEDHN C=CCCCN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000280083547 375084348 /nfs/dbraw/zinc/08/43/48/375084348.db2.gz NAVBWPFEDCOMGM-ZDUSSCGKSA-N 0 3 267.394 2.405 20 30 CEEDHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(C#N)oc1C ZINC000280706381 375291558 /nfs/dbraw/zinc/29/15/58/375291558.db2.gz SXZMFTITIFVTSZ-LBPRGKRZSA-N 0 3 275.352 2.016 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1cc(C#N)ncn1 ZINC000389937823 375309799 /nfs/dbraw/zinc/30/97/99/375309799.db2.gz NQWLFNBOIRUIKY-CZUORRHYSA-N 0 3 293.374 2.281 20 30 CEEDHN C#C[C@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000281089899 375353917 /nfs/dbraw/zinc/35/39/17/375353917.db2.gz OXQBNMNXJINJSM-HOTGVXAUSA-N 0 3 287.407 2.246 20 30 CEEDHN CC(C)[C@H](C(=O)N[C@H]1CCC[C@@H]1C#N)N1CCCCC1 ZINC000408339190 375458036 /nfs/dbraw/zinc/45/80/36/375458036.db2.gz OKPRVLGTPQAAQE-QLFBSQMISA-N 0 3 277.412 2.305 20 30 CEEDHN COc1cc(CN2CCC[C@@H]2C[C@H](C)O)ccc1C#N ZINC000282411525 375478045 /nfs/dbraw/zinc/47/80/45/375478045.db2.gz SDYQBTAIXWHFKF-SWLSCSKDSA-N 0 3 274.364 2.302 20 30 CEEDHN Cn1cc(CN2CCC[C@H]2[C@H]2CCCO2)cc1C#N ZINC000285039128 375832737 /nfs/dbraw/zinc/83/27/37/375832737.db2.gz KTFULPMQAHQTOE-LSDHHAIUSA-N 0 3 259.353 2.040 20 30 CEEDHN COC1([C@H](C)NCc2cnc3ccc(C#N)cn23)CCC1 ZINC000414530858 375837046 /nfs/dbraw/zinc/83/70/46/375837046.db2.gz YALGOMDCQZNYCT-LBPRGKRZSA-N 0 3 284.363 2.253 20 30 CEEDHN C=C(C)CCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415893416 376029031 /nfs/dbraw/zinc/02/90/31/376029031.db2.gz KPYAKKUUHBWBDN-UHFFFAOYSA-N 0 3 259.353 2.420 20 30 CEEDHN CN(C)CCN(Cc1ccco1)Cc1ccc(C#N)o1 ZINC000289560490 376403435 /nfs/dbraw/zinc/40/34/35/376403435.db2.gz YPLAZABPTCJTJB-UHFFFAOYSA-N 0 3 273.336 2.308 20 30 CEEDHN CN(C)C(=O)[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000419263149 376416093 /nfs/dbraw/zinc/41/60/93/376416093.db2.gz VBFOGIFNDPJZLK-BPUTZDHNSA-N 0 3 285.391 2.488 20 30 CEEDHN C=CCN(Cc1ccccc1F)C[C@H](O)CN(C)C1CC1 ZINC000289547330 376399605 /nfs/dbraw/zinc/39/96/05/376399605.db2.gz DABKNTBEVOADQG-MRXNPFEDSA-N 0 3 292.398 2.269 20 30 CEEDHN C=CCN(Cc1ccccc1F)C[C@@H](O)CN(C)C1CC1 ZINC000289547325 376399820 /nfs/dbraw/zinc/39/98/20/376399820.db2.gz DABKNTBEVOADQG-INIZCTEOSA-N 0 3 292.398 2.269 20 30 CEEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)NCC1(C#N)CCC1 ZINC000419454992 376453296 /nfs/dbraw/zinc/45/32/96/376453296.db2.gz NNWAFGCTAOHJQI-ZIAGYGMSSA-N 0 3 292.427 2.242 20 30 CEEDHN CN(C)CCN(Cc1cocn1)Cc1ccc(C#N)cc1 ZINC000289727712 376468017 /nfs/dbraw/zinc/46/80/17/376468017.db2.gz HPKBJPRQUATQRD-UHFFFAOYSA-N 0 3 284.363 2.110 20 30 CEEDHN C=CCC[C@@H](NC[C@](C)(O)COC)c1ccco1 ZINC000556881198 376511175 /nfs/dbraw/zinc/51/11/75/376511175.db2.gz HRLLYBRHAUXMDB-OCCSQVGLSA-N 0 3 253.342 2.274 20 30 CEEDHN Cc1cc(F)cc2c1ncc(C#N)c2N1CCN[C@H](C)C1 ZINC000420236132 376644090 /nfs/dbraw/zinc/64/40/90/376644090.db2.gz IDGWYHXTAKSESX-LLVKDONJSA-N 0 3 284.338 2.352 20 30 CEEDHN N#Cc1ccncc1N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000559308859 376674656 /nfs/dbraw/zinc/67/46/56/376674656.db2.gz QFQBQXOLGFSCGH-OAHLLOKOSA-N 0 3 282.391 2.432 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)[C@H]1n1cccn1 ZINC000559360698 376677120 /nfs/dbraw/zinc/67/71/20/376677120.db2.gz OUIYZBXIQJBXFN-BRWVUGGUSA-N 0 3 296.374 2.263 20 30 CEEDHN C#Cc1ccc(CN2CCCC[C@@H]2COC(=O)NC)cc1 ZINC000290229557 376696399 /nfs/dbraw/zinc/69/63/99/376696399.db2.gz SRCASEJXQSGDGD-MRXNPFEDSA-N 0 3 286.375 2.378 20 30 CEEDHN C#Cc1ccc(CNCC[S@@](=O)C(C)(C)C)cc1 ZINC000290230820 376699084 /nfs/dbraw/zinc/69/90/84/376699084.db2.gz FWJZVMBQDBDVHV-GOSISDBHSA-N 0 3 263.406 2.305 20 30 CEEDHN N#Cc1csc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)c1 ZINC000560630143 376773152 /nfs/dbraw/zinc/77/31/52/376773152.db2.gz SESUWGFOQXKION-LSDHHAIUSA-N 0 3 292.404 2.029 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](CCO)CC1 ZINC000421014585 376790825 /nfs/dbraw/zinc/79/08/25/376790825.db2.gz KNWBFEOFZBTENA-JKSUJKDBSA-N 0 3 294.439 2.060 20 30 CEEDHN Cc1n[nH]c([C@@H]2CCN(Cc3cc(C#N)ccc3F)C2)n1 ZINC000560718136 376778050 /nfs/dbraw/zinc/77/80/50/376778050.db2.gz NGWGKSNABUYOMS-GFCCVEGCSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1nc([C@@H]2CCN(Cc3cc(C#N)ccc3F)C2)n[nH]1 ZINC000560718136 376778059 /nfs/dbraw/zinc/77/80/59/376778059.db2.gz NGWGKSNABUYOMS-GFCCVEGCSA-N 0 3 285.326 2.113 20 30 CEEDHN Cc1nnc([C@@H]2CCN(Cc3cc(C#N)ccc3F)C2)[nH]1 ZINC000560718136 376778072 /nfs/dbraw/zinc/77/80/72/376778072.db2.gz NGWGKSNABUYOMS-GFCCVEGCSA-N 0 3 285.326 2.113 20 30 CEEDHN C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(CCOCCC#N)C1 ZINC000421026011 376790069 /nfs/dbraw/zinc/79/00/69/376790069.db2.gz RNJHJUTZJQBRSI-KBPBESRZSA-N 0 3 296.411 2.216 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccc(OC)c(OC)c1 ZINC000320215979 376821876 /nfs/dbraw/zinc/82/18/76/376821876.db2.gz GCNJKKDLUDQBTR-ZDUSSCGKSA-N 0 3 265.353 2.121 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H](C)CC(=O)N2)CN1C1CC1 ZINC000328902941 376920921 /nfs/dbraw/zinc/92/09/21/376920921.db2.gz HFFOCOPTWRFROX-WGBDABJCSA-N 0 3 279.384 2.323 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329114545 376931806 /nfs/dbraw/zinc/93/18/06/376931806.db2.gz MAAFVWUMCIAOQM-CTASWTNQSA-N 0 3 296.411 2.154 20 30 CEEDHN CCN1CCC(NC(=O)c2cn(C)nc2C2CC2)CC1 ZINC000329339119 376949750 /nfs/dbraw/zinc/94/97/50/376949750.db2.gz YXSBXGLHZRFZLI-UHFFFAOYSA-N 0 3 276.384 2.086 20 30 CEEDHN C[C@H](NC(=O)CCOC1CCOCC1)C1=CCN(C)CC1 ZINC000329345610 376951898 /nfs/dbraw/zinc/95/18/98/376951898.db2.gz QYOQTMQYHMGWIM-ZDUSSCGKSA-N 0 3 296.411 2.179 20 30 CEEDHN C[C@@H](CNc1ncc2c(c1C#N)CCC2)N1CCC[C@H](C)C1 ZINC000563018967 377061724 /nfs/dbraw/zinc/06/17/24/377061724.db2.gz NZCDJPXXYZOXPO-KBPBESRZSA-N 0 3 298.434 2.396 20 30 CEEDHN CN(CC1(O)CCCCCC1)C(=O)NC[C@H]1CCCN1C ZINC000330247912 377076137 /nfs/dbraw/zinc/07/61/37/377076137.db2.gz LYGUKKHEXOAJSI-CQSZACIVSA-N 0 3 297.443 2.012 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCC[C@H]2CCO)c1F ZINC000330581156 377195286 /nfs/dbraw/zinc/19/52/86/377195286.db2.gz RLKSGXPYIQSMRX-SMDDNHRTSA-N 0 3 262.328 2.338 20 30 CEEDHN C=CC[C@H](C)NCc1cnnn1Cc1ccccc1 ZINC000291886762 377214739 /nfs/dbraw/zinc/21/47/39/377214739.db2.gz HKWCUKAKOQTADR-ZDUSSCGKSA-N 0 3 256.353 2.381 20 30 CEEDHN C#CCCN1CCC([C@H](O)c2ccc(OC)cc2)CC1 ZINC000291932473 377218524 /nfs/dbraw/zinc/21/85/24/377218524.db2.gz SYLGMPQUSLTNRZ-QGZVFWFLSA-N 0 3 273.376 2.464 20 30 CEEDHN C#CCSCCN[C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000292021842 377220044 /nfs/dbraw/zinc/22/00/44/377220044.db2.gz CKCIPJBDUHZBPP-ZDUSSCGKSA-N 0 3 290.432 2.405 20 30 CEEDHN C#CCSCCN[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000292065824 377223523 /nfs/dbraw/zinc/22/35/23/377223523.db2.gz HAZDABAPHKYNLP-ZDUSSCGKSA-N 0 3 278.425 2.382 20 30 CEEDHN C#CCSCCN[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000292065824 377223526 /nfs/dbraw/zinc/22/35/26/377223526.db2.gz HAZDABAPHKYNLP-ZDUSSCGKSA-N 0 3 278.425 2.382 20 30 CEEDHN C=CCOc1ccc(CNC[C@@H](O)CC)cc1OC ZINC000291644830 377202572 /nfs/dbraw/zinc/20/25/72/377202572.db2.gz BZEIVSZCNRXRFC-ZDUSSCGKSA-N 0 3 265.353 2.121 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC000424656097 377280345 /nfs/dbraw/zinc/28/03/45/377280345.db2.gz XMVMGCJLEBSBCQ-STQMWFEESA-N 0 3 268.376 2.281 20 30 CEEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000424722709 377287497 /nfs/dbraw/zinc/28/74/97/377287497.db2.gz OHLMBUPLRPYAOR-WCQYABFASA-N 0 3 250.386 2.188 20 30 CEEDHN CC[C@@H]1[C@@H](C)CCN1CC(=O)NCc1cccc(C#N)c1 ZINC000331137261 377297652 /nfs/dbraw/zinc/29/76/52/377297652.db2.gz SFDQKCUMMNHGKF-XJKSGUPXSA-N 0 3 285.391 2.295 20 30 CEEDHN N#Cc1nccc(NCCN2CCC3(CCCCC3)CC2)n1 ZINC000563820212 377299177 /nfs/dbraw/zinc/29/91/77/377299177.db2.gz CWMIPIRDLGSLFN-UHFFFAOYSA-N 0 3 299.422 2.228 20 30 CEEDHN C[C@@]1(CO)CCC[C@@H]1NCc1ccc(F)c(C#N)c1 ZINC000331149241 377303436 /nfs/dbraw/zinc/30/34/36/377303436.db2.gz HXZIDIMCQGZXAQ-GJZGRUSLSA-N 0 3 262.328 2.338 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000425538664 377369134 /nfs/dbraw/zinc/36/91/34/377369134.db2.gz SMBBWAKJPKYOOA-GFCCVEGCSA-N 0 3 299.334 2.356 20 30 CEEDHN C[C@@H](CNc1ccc(C#N)c(Cl)c1)N1CCN(C)CC1 ZINC000264928753 190145705 /nfs/dbraw/zinc/14/57/05/190145705.db2.gz OJXCONYUCJJAOE-LBPRGKRZSA-N 0 3 292.814 2.259 20 30 CEEDHN C[C@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)N1CCC[C@H](C)C1 ZINC000425449897 377350737 /nfs/dbraw/zinc/35/07/37/377350737.db2.gz XHZJVTWINUHWLH-LJISPDSOSA-N 0 3 292.427 2.098 20 30 CEEDHN C#CCCNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000265005409 190151568 /nfs/dbraw/zinc/15/15/68/190151568.db2.gz BTQCJQGVXOCPGL-UHFFFAOYSA-N 0 3 299.418 2.016 20 30 CEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1cccc(C)c1 ZINC000429724666 377519848 /nfs/dbraw/zinc/51/98/48/377519848.db2.gz WXJPUBLKGBTZFU-UHFFFAOYSA-N 0 3 289.423 2.373 20 30 CEEDHN C=CCCC[C@H](C)N1CC[C@H](CS(C)(=O)=O)C1 ZINC000429385903 377514549 /nfs/dbraw/zinc/51/45/49/377514549.db2.gz ITVYGTRPFGFXDO-STQMWFEESA-N 0 3 259.415 2.098 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000429574748 377516311 /nfs/dbraw/zinc/51/63/11/377516311.db2.gz BFLRYMPFVUSYJY-MGPQQGTHSA-N 0 3 265.401 2.115 20 30 CEEDHN C[C@H]1CC[C@@H](N(C)CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000429562924 377516647 /nfs/dbraw/zinc/51/66/47/377516647.db2.gz AARARHZSAVQOIZ-XJKSGUPXSA-N 0 3 285.391 2.295 20 30 CEEDHN C=C(CC)CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000565347584 377646424 /nfs/dbraw/zinc/64/64/24/377646424.db2.gz KEEWLHUFYFJASL-INIZCTEOSA-N 0 3 287.407 2.376 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N1CCN2CCC1CC2 ZINC000432567508 377776020 /nfs/dbraw/zinc/77/60/20/377776020.db2.gz HJBIGFBKMVIQSS-UHFFFAOYSA-N 0 3 265.401 2.078 20 30 CEEDHN COCCCCNC(=O)C(C#N)CCc1ccccc1 ZINC000433218750 377782271 /nfs/dbraw/zinc/78/22/71/377782271.db2.gz JPNXSEYCDHMYLU-HNNXBMFYSA-N 0 3 274.364 2.302 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000432364263 377753738 /nfs/dbraw/zinc/75/37/38/377753738.db2.gz GRRCJHQZBQAYHD-STQMWFEESA-N 0 3 267.417 2.371 20 30 CEEDHN C[C@H](CNC(=O)c1cscc1C#N)N1CCC[C@@H](C)C1 ZINC000432715555 377775933 /nfs/dbraw/zinc/77/59/33/377775933.db2.gz ZPPAXHBQTFBFPX-VXGBXAGGSA-N 0 3 291.420 2.470 20 30 CEEDHN C=CCCCN(C)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000433874074 377794184 /nfs/dbraw/zinc/79/41/84/377794184.db2.gz IGGIJGXXVYELAN-UHFFFAOYSA-N 0 3 296.436 2.335 20 30 CEEDHN C=CCOCCN(C[C@@H](O)COc1ccccc1)C(C)C ZINC000294031898 377877377 /nfs/dbraw/zinc/87/73/77/377877377.db2.gz IDHMXNFYSLHEQH-MRXNPFEDSA-N 0 3 293.407 2.339 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000438461104 377901707 /nfs/dbraw/zinc/90/17/07/377901707.db2.gz PEMMDCFPDRKFBT-GDBMZVCRSA-N 0 3 282.428 2.204 20 30 CEEDHN N#C[C@H]1CC[C@H](NCc2ccccc2CN2CCOCC2)C1 ZINC000442655523 377976559 /nfs/dbraw/zinc/97/65/59/377976559.db2.gz SUVOZKMCUNCXRV-YJBOKZPZSA-N 0 3 299.418 2.301 20 30 CEEDHN CCNC(=O)c1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442786828 377994257 /nfs/dbraw/zinc/99/42/57/377994257.db2.gz UQYPIVYDABRGFP-WFASDCNBSA-N 0 3 271.364 2.218 20 30 CEEDHN COc1ccc([C@H](CCO)N[C@H]2CC[C@H](C#N)C2)cc1 ZINC000442772153 377994606 /nfs/dbraw/zinc/99/46/06/377994606.db2.gz ALFUFXMECHYRJR-NOLJZWGESA-N 0 3 274.364 2.401 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1CC(=O)c1cccs1 ZINC000443675994 378070236 /nfs/dbraw/zinc/07/02/36/378070236.db2.gz TZOOWXIXOPJGHC-MNOVXSKESA-N 0 3 276.361 2.472 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1CC(=O)c1cccs1 ZINC000443675996 378070387 /nfs/dbraw/zinc/07/03/87/378070387.db2.gz TZOOWXIXOPJGHC-QWRGUYRKSA-N 0 3 276.361 2.472 20 30 CEEDHN CN(CCC(=O)N(C)CCC#N)Cc1cc(F)cc(F)c1 ZINC000444712473 378077674 /nfs/dbraw/zinc/07/76/74/378077674.db2.gz YWPKJFSKQSZEBS-UHFFFAOYSA-N 0 3 295.333 2.159 20 30 CEEDHN CC(C)[C@@H]1CCCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000444753152 378080375 /nfs/dbraw/zinc/08/03/75/378080375.db2.gz MCMXZZPEIUSBHI-UONOGXRCSA-N 0 3 265.401 2.115 20 30 CEEDHN C[C@@H](N[C@@H](C)CCS(C)(=O)=O)c1ccc(C#N)c(F)c1 ZINC000346209272 217839788 /nfs/dbraw/zinc/83/97/88/217839788.db2.gz WZGUMIRJTGLPPG-WDEREUQCSA-N 0 3 298.383 2.171 20 30 CEEDHN C#CCCN(C)C[C@@H](O)c1ccccc1Br ZINC000295337435 378110981 /nfs/dbraw/zinc/11/09/81/378110981.db2.gz NFOXFGAQAKIEQI-CYBMUJFWSA-N 0 3 282.181 2.438 20 30 CEEDHN COC[C@]1(C)CCN(Cc2cc(C#N)cs2)C1 ZINC000449391038 378211952 /nfs/dbraw/zinc/21/19/52/378211952.db2.gz HLZDGVOSZKFYDS-CYBMUJFWSA-N 0 3 250.367 2.478 20 30 CEEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)C(=O)NCCc1ccccc1 ZINC000449581375 378216833 /nfs/dbraw/zinc/21/68/33/378216833.db2.gz ZNEPZBQQHWNDKN-UAGQMJEPSA-N 0 3 299.418 2.406 20 30 CEEDHN C=CCCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000448012351 378167767 /nfs/dbraw/zinc/16/77/67/378167767.db2.gz SWCVYLXDZVSQLW-CQSZACIVSA-N 0 3 265.401 2.269 20 30 CEEDHN C=CCC[C@H](CO)NCc1cnc2cccc(C)n12 ZINC000449695754 378222089 /nfs/dbraw/zinc/22/20/89/378222089.db2.gz GGGWBLOHUOLVEZ-CYBMUJFWSA-N 0 3 259.353 2.059 20 30 CEEDHN CCN(C)CCNc1ncc(Br)cc1C#N ZINC000295654516 378252394 /nfs/dbraw/zinc/25/23/94/378252394.db2.gz ZNHQNDLBPHKFPY-UHFFFAOYSA-N 0 3 283.173 2.079 20 30 CEEDHN C[C@@H](CO)[C@@H](C)NCc1cc(C#N)ccc1Br ZINC000295670235 378259212 /nfs/dbraw/zinc/25/92/12/378259212.db2.gz FZMCPLBQRNUAJX-VHSXEESVSA-N 0 3 297.196 2.427 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000450109964 378297048 /nfs/dbraw/zinc/29/70/48/378297048.db2.gz CFLADNLZHXYMFB-HNNXBMFYSA-N 0 3 294.439 2.302 20 30 CEEDHN CO[C@H]1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1(C)C ZINC000296202183 378450858 /nfs/dbraw/zinc/45/08/58/378450858.db2.gz WCHOMJDXLJXUNI-CVEARBPZSA-N 0 3 288.391 2.339 20 30 CEEDHN C[C@H](NC(=O)[C@]1(C#N)C[C@@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000450701111 378537158 /nfs/dbraw/zinc/53/71/58/378537158.db2.gz VUMNYJVETDMEFH-HPZZRFSDSA-N 0 3 285.391 2.344 20 30 CEEDHN CC(C)COC[C@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000298341996 378699218 /nfs/dbraw/zinc/69/92/18/378699218.db2.gz SRRVTTOCMCBYSB-MRXNPFEDSA-N 0 3 276.380 2.024 20 30 CEEDHN N#Cc1cccc(C2(NCCc3cn[nH]c3)CC2)c1 ZINC000298356498 378704039 /nfs/dbraw/zinc/70/40/39/378704039.db2.gz JZNUJTUIOSDRBZ-UHFFFAOYSA-N 0 3 252.321 2.103 20 30 CEEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)cc2OC)C[C@@H]1C ZINC000347298126 218181674 /nfs/dbraw/zinc/18/16/74/218181674.db2.gz ZLMGTWDBPGOCNP-KBPBESRZSA-N 0 3 287.407 2.481 20 30 CEEDHN C=CCN(Cc1ccccc1)C[C@H](O)CO[C@H](C)COC ZINC000278792964 194158646 /nfs/dbraw/zinc/15/86/46/194158646.db2.gz XXNIMGUUATUCNC-WBVHZDCISA-N 0 3 293.407 2.087 20 30 CEEDHN C=CCN1CCC(Nc2ccnc3c2cnn3C)CC1 ZINC000278809480 194163090 /nfs/dbraw/zinc/16/30/90/194163090.db2.gz ZIKQAFTUWCLVKS-UHFFFAOYSA-N 0 3 271.368 2.031 20 30 CEEDHN C=CCN1CCC(Nc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000301184293 379212799 /nfs/dbraw/zinc/21/27/99/379212799.db2.gz QWWRAKNPWIXYGA-UHFFFAOYSA-N 0 3 284.363 2.398 20 30 CEEDHN CC[C@H](NCC(=O)N(C)CC)c1ccc(C#N)cc1 ZINC000278896786 194201257 /nfs/dbraw/zinc/20/12/57/194201257.db2.gz YZQCFSBHIVQDPU-AWEZNQCLSA-N 0 3 259.353 2.077 20 30 CEEDHN C#CCN(C[C@@H](O)COc1ccc(C#N)cc1)C1CCCC1 ZINC000304973939 379604207 /nfs/dbraw/zinc/60/42/07/379604207.db2.gz AKBHGSXOGGSTBB-QGZVFWFLSA-N 0 3 298.386 2.176 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](C)[C@@H]1CO ZINC000305700293 379733086 /nfs/dbraw/zinc/73/30/86/379733086.db2.gz BIVXGCPGOYFEMM-DOMZBBRYSA-N 0 3 274.364 2.160 20 30 CEEDHN C#CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000267512199 190335270 /nfs/dbraw/zinc/33/52/70/190335270.db2.gz MFYCMOXZTHGNPF-WBVHZDCISA-N 0 3 299.418 2.362 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1C#N ZINC000267686787 190347560 /nfs/dbraw/zinc/34/75/60/190347560.db2.gz QKIGWCZDNCTVQC-FZMZJTMJSA-N 0 3 288.351 2.243 20 30 CEEDHN C[C@@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1C ZINC000528398742 379957178 /nfs/dbraw/zinc/95/71/78/379957178.db2.gz VGWMDGHQTFWWFY-ZIAGYGMSSA-N 0 3 296.370 2.016 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C)[C@H](C(C)C)C1 ZINC000488042715 380090427 /nfs/dbraw/zinc/09/04/27/380090427.db2.gz OYEIOSRJWPLOFJ-HOTGVXAUSA-N 0 3 295.471 2.072 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000489053071 380158262 /nfs/dbraw/zinc/15/82/62/380158262.db2.gz VGIHCHRSQBFXBA-ZIAGYGMSSA-N 0 3 275.396 2.133 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2ccc3cc(C#N)ccc3n2)CCN1C ZINC000536767745 380234078 /nfs/dbraw/zinc/23/40/78/380234078.db2.gz VQPNIQHODXQUFG-DOMZBBRYSA-N 0 3 280.375 2.423 20 30 CEEDHN C#C[C@H](C)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000491289301 380297752 /nfs/dbraw/zinc/29/77/52/380297752.db2.gz YFGJGNDNMPPATG-LBPRGKRZSA-N 0 3 289.335 2.185 20 30 CEEDHN C[C@H]1CCN(C)CCN1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000491866422 380365546 /nfs/dbraw/zinc/36/55/46/380365546.db2.gz INEHOANMSZXQQP-DANTVBBOSA-N 0 3 283.375 2.124 20 30 CEEDHN C[C@@H](NC(=O)N1CCN2CCC1CC2)c1ccc(C#N)cc1 ZINC000334421071 380387275 /nfs/dbraw/zinc/38/72/75/380387275.db2.gz AVGUQKVQBORSJK-CYBMUJFWSA-N 0 3 298.390 2.109 20 30 CEEDHN C[C@H](C(=O)N1CCC[C@@H](N(C)C)C1)c1cccc(C#N)c1 ZINC000334389073 380342877 /nfs/dbraw/zinc/34/28/77/380342877.db2.gz RHKGRPKPSIDRRJ-XJKSGUPXSA-N 0 3 285.391 2.214 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C)s1 ZINC000491694311 380344146 /nfs/dbraw/zinc/34/41/46/380344146.db2.gz VSRRUEVIYKYEEE-UHFFFAOYSA-N 0 3 265.382 2.133 20 30 CEEDHN COCC1(O)CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000270375269 284829890 /nfs/dbraw/zinc/82/98/90/284829890.db2.gz NYVLUKZVVCKSHO-CYBMUJFWSA-N 0 3 274.364 2.093 20 30 CEEDHN C[C@H](NC(=O)CN1CC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000548829997 380568871 /nfs/dbraw/zinc/56/88/71/380568871.db2.gz OIZNIRYCVPOOHR-STQMWFEESA-N 0 3 271.364 2.077 20 30 CEEDHN N#Cc1cnn2cc(CNCCC3CCCC3)cnc12 ZINC000550153824 380617689 /nfs/dbraw/zinc/61/76/89/380617689.db2.gz ZSWXJDBJJXUWMD-UHFFFAOYSA-N 0 3 269.352 2.271 20 30 CEEDHN CC(C#N)C(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000492819761 380700409 /nfs/dbraw/zinc/70/04/09/380700409.db2.gz 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/nfs/dbraw/zinc/17/93/11/381179311.db2.gz GUIHHSQXDWTDMT-GXTWGEPZSA-N 0 3 279.384 2.231 20 30 CEEDHN CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)C(C)C#N ZINC000495758083 381183946 /nfs/dbraw/zinc/18/39/46/381183946.db2.gz CAVZTYJEKRLVDZ-OLZOCXBDSA-N 0 3 295.383 2.006 20 30 CEEDHN CC(C#N)C(=O)NC(C)(C)CCCNC(=O)OC(C)(C)C ZINC000495773130 381184995 /nfs/dbraw/zinc/18/49/95/381184995.db2.gz CPHVTRUQOOTBSN-LLVKDONJSA-N 0 3 297.399 2.346 20 30 CEEDHN CC#CCCN1CCCC[C@H]1COC(=O)NCCC ZINC000496657343 381223761 /nfs/dbraw/zinc/22/37/61/381223761.db2.gz CSJKEHNVIQAGEM-AWEZNQCLSA-N 0 3 266.385 2.391 20 30 CEEDHN CC#CCCN1CCCC[C@@H]1COC(=O)NCC ZINC000496753281 381226126 /nfs/dbraw/zinc/22/61/26/381226126.db2.gz BDIZHNAVXSZDBJ-CYBMUJFWSA-N 0 3 252.358 2.000 20 30 CEEDHN CC(C)(C)OC(=O)NCC1(CNCC2(C#N)CC2)CC1 ZINC000496862085 381230652 /nfs/dbraw/zinc/23/06/52/381230652.db2.gz GTKLAFDAGFAIGX-UHFFFAOYSA-N 0 3 279.384 2.185 20 30 CEEDHN C[C@@H]1C[C@@H](NCc2cnc3ccc(C#N)cn23)CS1 ZINC000334852972 207190088 /nfs/dbraw/zinc/19/00/88/207190088.db2.gz HKILGXQKLJJFGF-ZYHUDNBSSA-N 0 3 272.377 2.190 20 30 CEEDHN C[C@@H]1C[C@H](NCc2cnc3ccc(C#N)cn23)CS1 ZINC000334852116 207187547 /nfs/dbraw/zinc/18/75/47/207187547.db2.gz HKILGXQKLJJFGF-PWSUYJOCSA-N 0 3 272.377 2.190 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC000575071275 335062045 /nfs/dbraw/zinc/06/20/45/335062045.db2.gz UKTHMBRUJAPDDE-CYBMUJFWSA-N 0 3 250.386 2.285 20 30 CEEDHN CC[C@H](C)[C@H](O)CNCc1ccc(C#N)c(OC)c1 ZINC000281558504 195287666 /nfs/dbraw/zinc/28/76/66/195287666.db2.gz BRQVWKAEWPHSLY-SMDDNHRTSA-N 0 3 262.353 2.063 20 30 CEEDHN COc1cc(CNCCNc2ccccn2)ccc1C#N ZINC000281566962 195291982 /nfs/dbraw/zinc/29/19/82/195291982.db2.gz CHAGXSNCAVRGRI-UHFFFAOYSA-N 0 3 282.347 2.164 20 30 CEEDHN COc1cc(CN[C@H]2C[C@@H](C)N(C3CC3)C2)ccc1C#N ZINC000281826635 195398448 /nfs/dbraw/zinc/39/84/48/195398448.db2.gz XIHJKJBTXAPPKY-DOMZBBRYSA-N 0 3 285.391 2.282 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H](C)c1cccs1 ZINC000575086278 335063552 /nfs/dbraw/zinc/06/35/52/335063552.db2.gz OEWXGBZBRVWFQI-UPJWGTAASA-N 0 3 294.420 2.249 20 30 CEEDHN C=CCC[C@H](O)CN1CCC(Oc2ccc(F)nc2)CC1 ZINC000190560987 130120716 /nfs/dbraw/zinc/12/07/16/130120716.db2.gz NXVSVPKQMJDNBU-ZDUSSCGKSA-N 0 3 294.370 2.391 20 30 CEEDHN C[C@H](NCC1(C)OCCCO1)c1cccc(C#N)c1 ZINC000190654045 130130702 /nfs/dbraw/zinc/13/07/02/130130702.db2.gz DAESQJWZGMDEOS-LBPRGKRZSA-N 0 3 260.337 2.362 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(O)cc2CC)CC1 ZINC000191041976 130176438 /nfs/dbraw/zinc/17/64/38/130176438.db2.gz SIDKURIKJKAJOE-UHFFFAOYSA-N 0 3 286.375 2.238 20 30 CEEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1nccnc1C#N ZINC000263802137 131334388 /nfs/dbraw/zinc/33/43/88/131334388.db2.gz LPHKZEPKDWBZAX-UPJWGTAASA-N 0 3 273.384 2.127 20 30 CEEDHN CC(C)N1CCCC[C@@H]1CSc1nnc(CC#N)n1C ZINC000413001262 394456975 /nfs/dbraw/zinc/45/69/75/394456975.db2.gz CPROICVDAHXSBP-GFCCVEGCSA-N 0 3 293.440 2.236 20 30 CEEDHN CC(C)(CO)NCc1cccc(OCCCC#N)c1 ZINC000304225895 394481949 /nfs/dbraw/zinc/48/19/49/394481949.db2.gz KZCQIGRAQWSMFY-UHFFFAOYSA-N 0 3 262.353 2.230 20 30 CEEDHN COCCCN1CCC(Nc2ncc(C#N)cc2F)CC1 ZINC000413109106 394483848 /nfs/dbraw/zinc/48/38/48/394483848.db2.gz FONXSKJQGNKYHF-UHFFFAOYSA-N 0 3 292.358 2.005 20 30 CEEDHN Cc1cc(C)c(C#N)c(N2CCN(CC(C)C)CC2)n1 ZINC000048322113 394515715 /nfs/dbraw/zinc/51/57/15/394515715.db2.gz JSNFTFQGLOQYLP-UHFFFAOYSA-N 0 3 272.396 2.348 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](O)COc2ccccc2)cc1 ZINC000037749131 394497218 /nfs/dbraw/zinc/49/72/18/394497218.db2.gz ZFHCKJHCAGJFLZ-MRXNPFEDSA-N 0 3 282.343 2.088 20 30 CEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1ncc(C#N)cc1F ZINC000413172920 394497558 /nfs/dbraw/zinc/49/75/58/394497558.db2.gz GGEYKQWFMUGKEQ-OLZOCXBDSA-N 0 3 274.343 2.155 20 30 CEEDHN Cc1nccn1CC[NH+]=C([O-])N1CC2(C1)CCCCC2 ZINC000329566745 394573880 /nfs/dbraw/zinc/57/38/80/394573880.db2.gz KXUMNQZVNXCXQP-UHFFFAOYSA-N 0 3 276.384 2.372 20 30 CEEDHN C[C@H](CNC(=O)N[C@]1(C)CCO[C@@H]1C)N1CCC[C@@H](C)C1 ZINC000329727288 394581776 /nfs/dbraw/zinc/58/17/76/394581776.db2.gz FDUBEDMPFOXOLV-IXYNUQLISA-N 0 3 297.443 2.178 20 30 CEEDHN CC[C@H](CC#N)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000248395896 394539697 /nfs/dbraw/zinc/53/96/97/394539697.db2.gz JRUZPRDYTDLRTG-ZDEQEGDKSA-N 0 3 251.374 2.056 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000049507314 394548494 /nfs/dbraw/zinc/54/84/94/394548494.db2.gz ZVEPLUQRSVCUQV-QWRGUYRKSA-N 0 3 264.394 2.153 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC(CF)C1 ZINC000413928795 394660267 /nfs/dbraw/zinc/66/02/67/394660267.db2.gz DTOGPXBQSHANFQ-CQSZACIVSA-N 0 3 260.312 2.187 20 30 CEEDHN C[C@@H]1c2ccccc2CCN1CCC(=O)N(C)CCC#N ZINC000092796376 394663462 /nfs/dbraw/zinc/66/34/62/394663462.db2.gz APLSUAORESHKIO-CQSZACIVSA-N 0 3 285.391 2.368 20 30 CEEDHN C[C@H]1CN(CCC(=O)N(C)CCC#N)[C@@H]1c1ccccc1 ZINC000092799412 394663516 /nfs/dbraw/zinc/66/35/16/394663516.db2.gz IGMUVZVKNPPRTJ-YOEHRIQHSA-N 0 3 285.391 2.442 20 30 CEEDHN O=C(NC[C@H]1CCCCN1C1CC1)[C@@H]1CCC(=O)N1 ZINC000329954311 394598055 /nfs/dbraw/zinc/59/80/55/394598055.db2.gz NUGDOPUNLQZTJE-NEPJUHHUSA-N 0 3 265.357 2.079 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCSCC1)N1[C@H](C)CC[C@H]1C ZINC000413637154 394607698 /nfs/dbraw/zinc/60/76/98/394607698.db2.gz YGIBQUVEFZYHEA-JHJVBQTASA-N 0 3 295.452 2.153 20 30 CEEDHN C=CCN(CCCN1CCOCC1)Cc1cccc(C#N)c1 ZINC000075674261 394613049 /nfs/dbraw/zinc/61/30/49/394613049.db2.gz LDUYFJQKEQPKCC-UHFFFAOYSA-N 0 3 299.418 2.269 20 30 CEEDHN CCCN1CCC[C@H]1CNC(=O)c1cn(C)nc1CC ZINC000330671554 394625732 /nfs/dbraw/zinc/62/57/32/394625732.db2.gz NEJKWKNYPCYGJH-LBPRGKRZSA-N 0 3 278.400 2.162 20 30 CEEDHN C[C@H]1CCCCN1CCNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000333206409 394642785 /nfs/dbraw/zinc/64/27/85/394642785.db2.gz OQJKYTBPHAZFFB-YOEHRIQHSA-N 0 3 289.423 2.451 20 30 CEEDHN CC(C)C[C@@H](CNC(=O)c1ccc(CC#N)cc1)N(C)C ZINC000270424760 394732848 /nfs/dbraw/zinc/73/28/48/394732848.db2.gz MLMWUENQDDZZGE-INIZCTEOSA-N 0 3 287.407 2.459 20 30 CEEDHN C=CC[C@H](CC)NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000358971680 394735233 /nfs/dbraw/zinc/73/52/33/394735233.db2.gz FKBWQZQSOXHHIK-NEPJUHHUSA-N 0 3 253.390 2.123 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000334303820 394673299 /nfs/dbraw/zinc/67/32/99/394673299.db2.gz BVOPHSVKKKGLHD-STQMWFEESA-N 0 3 285.347 2.023 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000334343982 394676302 /nfs/dbraw/zinc/67/63/02/394676302.db2.gz RWFFSBOIQVTACF-CHWSQXEVSA-N 0 3 286.379 2.085 20 30 CEEDHN N#CCc1ccc(C(=O)N2CCC[C@H](N3CCCC3)C2)cc1 ZINC000334437467 394685907 /nfs/dbraw/zinc/68/59/07/394685907.db2.gz IHEVJXLJFSEPMJ-KRWDZBQOSA-N 0 3 297.402 2.453 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@](C)(F)C2)CC1 ZINC000334465347 394687434 /nfs/dbraw/zinc/68/74/34/394687434.db2.gz CKACVQXYVSSTOT-OAHLLOKOSA-N 0 3 283.391 2.170 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)[C@@H](C)C2)CC1 ZINC000335245296 394752769 /nfs/dbraw/zinc/75/27/69/394752769.db2.gz JLIDWDNTWNLLRG-KBPBESRZSA-N 0 3 279.428 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20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H](C)CC(F)(F)F)CC1 ZINC000361942369 394838335 /nfs/dbraw/zinc/83/83/35/394838335.db2.gz ZEFOEXYBTYNPGZ-SNVBAGLBSA-N 0 3 293.333 2.277 20 30 CEEDHN CN(CCn1cccn1)Cc1ccc(N(C)CCC#N)cc1 ZINC000125302531 394842788 /nfs/dbraw/zinc/84/27/88/394842788.db2.gz WERRCZZGCPODPK-UHFFFAOYSA-N 0 3 297.406 2.365 20 30 CEEDHN COc1ccc(CNC(=O)C(C)C#N)cc1Cl ZINC000362163157 394846585 /nfs/dbraw/zinc/84/65/85/394846585.db2.gz OEVITHYWCVFFQU-QMMMGPOBSA-N 0 3 252.701 2.124 20 30 CEEDHN CC(C#N)C(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000336388894 394850738 /nfs/dbraw/zinc/85/07/38/394850738.db2.gz DYUSXEBTULCDLS-LLVKDONJSA-N 0 3 275.327 2.388 20 30 CEEDHN C=CCN1CC[C@H](N2CC[C@H](Cc3ccccc3)C2)C1=O ZINC000282037340 394900547 /nfs/dbraw/zinc/90/05/47/394900547.db2.gz QOKJPAQSZRYXNJ-SJORKVTESA-N 0 3 284.403 2.338 20 30 CEEDHN Cn1cc(CN[C@@H]2CCCN(c3ccccn3)C2)cc1C#N ZINC000364470513 394908081 /nfs/dbraw/zinc/90/80/81/394908081.db2.gz CMTTWWPCGAQCLW-OAHLLOKOSA-N 0 3 295.390 2.050 20 30 CEEDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc(CC#N)cc1 ZINC000338297947 394912430 /nfs/dbraw/zinc/91/24/30/394912430.db2.gz UVHWXWMPFVVAMO-STQMWFEESA-N 0 3 274.364 2.430 20 30 CEEDHN C=CCn1c(C2CC2)nnc1N1CCN(CC(C)C)CC1 ZINC000282229047 394914140 /nfs/dbraw/zinc/91/41/40/394914140.db2.gz JHDPYEQSCWOONG-UHFFFAOYSA-N 0 3 289.427 2.120 20 30 CEEDHN COC(=O)C(C)(C)CCN1CCC(C)(C#N)CC1 ZINC000338572036 394923069 /nfs/dbraw/zinc/92/30/69/394923069.db2.gz RBFKXSZFIKHQQG-UHFFFAOYSA-N 0 3 252.358 2.201 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000282764148 394923771 /nfs/dbraw/zinc/92/37/71/394923771.db2.gz XBZLZHVQYVDRPC-TZMCWYRMSA-N 0 3 265.401 2.291 20 30 CEEDHN CC#CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000282791172 394923868 /nfs/dbraw/zinc/92/38/68/394923868.db2.gz MCFGNZMRRKXCEB-UHFFFAOYSA-N 0 3 285.391 2.099 20 30 CEEDHN N#C[C@@H](NC(=O)C12CCCN1CCC2)c1ccccc1F ZINC000415384183 394926531 /nfs/dbraw/zinc/92/65/31/394926531.db2.gz UVEQZCMJHDQPME-CQSZACIVSA-N 0 3 287.338 2.135 20 30 CEEDHN N#CCCOCCN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000338961282 394934511 /nfs/dbraw/zinc/93/45/11/394934511.db2.gz LESWLJIMSARKRI-CQSZACIVSA-N 0 3 288.347 2.482 20 30 CEEDHN CN(CCC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C#N)C1 ZINC000339017664 394937779 /nfs/dbraw/zinc/93/77/79/394937779.db2.gz MZKQICLHUDPADF-VXGBXAGGSA-N 0 3 252.358 2.342 20 30 CEEDHN C#CCOc1ccc(CNC2(COC)CCC2)cc1 ZINC000283813795 394938141 /nfs/dbraw/zinc/93/81/41/394938141.db2.gz BWRMQVKQXDMAEN-UHFFFAOYSA-N 0 3 259.349 2.357 20 30 CEEDHN CCC[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)CCN1CCOC ZINC000339059744 394939796 /nfs/dbraw/zinc/93/97/96/394939796.db2.gz IULGHIKJZMCTIF-OWCLPIDISA-N 0 3 279.428 2.111 20 30 CEEDHN C#CCCN1CCN(C[C@@H](OC)c2ccccc2)CC1 ZINC000284512187 394945925 /nfs/dbraw/zinc/94/59/25/394945925.db2.gz VTQBAWZHQWTEFA-QGZVFWFLSA-N 0 3 272.392 2.015 20 30 CEEDHN CC#CCN(C)C[C@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000339201050 394950227 /nfs/dbraw/zinc/95/02/27/394950227.db2.gz IDNRFNBJAJZDEK-NVXWUHKLSA-N 0 3 288.439 2.148 20 30 CEEDHN C=CC[C@H](CO)N[C@H](C)c1cc(C(=O)OC)cs1 ZINC000286309512 395019959 /nfs/dbraw/zinc/01/99/59/395019959.db2.gz XKNIUKWBWUBITQ-MWLCHTKSSA-N 0 3 269.366 2.122 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CC(C)C)OC)CC1 ZINC000416150911 395023220 /nfs/dbraw/zinc/02/32/20/395023220.db2.gz MXSVGMYLPHNZPA-OAHLLOKOSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CCCOCCCCC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000342866978 395025153 /nfs/dbraw/zinc/02/51/53/395025153.db2.gz NIDRUNIBUCJSHH-LSDHHAIUSA-N 0 3 282.428 2.348 20 30 CEEDHN C=CCCOCCCCC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000342866887 395025382 /nfs/dbraw/zinc/02/53/82/395025382.db2.gz LYOIETOFWJLKBP-HNNXBMFYSA-N 0 3 282.428 2.302 20 30 CEEDHN CC#CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000135020119 394961509 /nfs/dbraw/zinc/96/15/09/394961509.db2.gz UNAOJNLGMSUAIY-MRXNPFEDSA-N 0 3 285.391 2.146 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(CCN(C)C)C(C)C)OCC ZINC000339486131 394961955 /nfs/dbraw/zinc/96/19/55/394961955.db2.gz GSOBGIBHDWFQOS-AWEZNQCLSA-N 0 3 270.417 2.156 20 30 CEEDHN C=C(Br)CN1C[C@@H](N2CCCC2)C[C@H]1C ZINC000367573114 394965422 /nfs/dbraw/zinc/96/54/22/394965422.db2.gz QWMHAWPNCKCJQB-NEPJUHHUSA-N 0 3 273.218 2.454 20 30 CEEDHN C=CCN(CCOC)C(=O)Nc1ccccc1CNC ZINC000415920963 394978631 /nfs/dbraw/zinc/97/86/31/394978631.db2.gz KZWHRQDYNRUNLJ-UHFFFAOYSA-N 0 3 277.368 2.072 20 30 CEEDHN C#Cc1ccc(CN[C@@H](CC)[C@H](O)C(F)(F)F)cc1 ZINC000290322164 395099733 /nfs/dbraw/zinc/09/97/33/395099733.db2.gz JRFNVUGGQTZFFF-STQMWFEESA-N 0 3 271.282 2.459 20 30 CEEDHN CC(C)(C)[C@@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000344207029 395051778 /nfs/dbraw/zinc/05/17/78/395051778.db2.gz IJUUMRMXSHOALR-CJNGLKHVSA-N 0 3 277.412 2.163 20 30 CEEDHN C=C(CNC(=O)N1CCCN(C)CC1)c1ccccc1 ZINC000288039231 395052013 /nfs/dbraw/zinc/05/20/13/395052013.db2.gz OHZIWLKQUAKDKG-UHFFFAOYSA-N 0 3 273.380 2.047 20 30 CEEDHN C(#Cc1ccccc1)CN[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000373073258 395053554 /nfs/dbraw/zinc/05/35/54/395053554.db2.gz CHTSXRNGYHXAKF-RBUKOAKNSA-N 0 3 298.430 2.271 20 30 CEEDHN CC[C@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)N(C)C ZINC000416340524 395055190 /nfs/dbraw/zinc/05/51/90/395055190.db2.gz KFYYCHAXUVLXKN-HZPDHXFCSA-N 0 3 285.391 2.392 20 30 CEEDHN Cc1nc(C)n([C@H]2CCCN(CCC(C)(C)C#N)C2)n1 ZINC000375831585 395100624 /nfs/dbraw/zinc/10/06/24/395100624.db2.gz NZFOIECXIDGQAN-AWEZNQCLSA-N 0 3 275.400 2.472 20 30 CEEDHN C#Cc1ccc(CN[C@H](C)[C@@H](C)C(=O)OCC)cc1 ZINC000290356052 395100964 /nfs/dbraw/zinc/10/09/64/395100964.db2.gz MJLCUAXDDAEGFF-CHWSQXEVSA-N 0 3 259.349 2.345 20 30 CEEDHN C#CCCN1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000288918887 395067470 /nfs/dbraw/zinc/06/74/70/395067470.db2.gz UWJVVWDSZXXITQ-INIZCTEOSA-N 0 3 261.340 2.076 20 30 CEEDHN CC(C)(C#N)CCN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000345731929 395074508 /nfs/dbraw/zinc/07/45/08/395074508.db2.gz IUAQZFAROQWJRG-UWVGGRQHSA-N 0 3 264.291 2.314 20 30 CEEDHN C#Cc1ccc(CN2CCC(C3OCCO3)CC2)cc1 ZINC000289362702 395075683 /nfs/dbraw/zinc/07/56/83/395075683.db2.gz OJOVYSMFPNERSK-UHFFFAOYSA-N 0 3 271.360 2.253 20 30 CEEDHN CC[C@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000345790290 395077439 /nfs/dbraw/zinc/07/74/39/395077439.db2.gz OYTWHTFMTMKWKM-STQMWFEESA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H]1CCC[C@@H]1C(=O)NC ZINC000345826850 395079143 /nfs/dbraw/zinc/07/91/43/395079143.db2.gz QNQAWIZAPFKFNE-LSDHHAIUSA-N 0 3 288.391 2.256 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@@H]2C(F)F)cc1 ZINC000345858689 395080379 /nfs/dbraw/zinc/08/03/79/395080379.db2.gz GGXVUHACMGNBPJ-FRRDWIJNSA-N 0 3 289.285 2.010 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000426815108 395080465 /nfs/dbraw/zinc/08/04/65/395080465.db2.gz JQFNEKUSGZKSCM-IRXDYDNUSA-N 0 3 297.402 2.296 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000289614730 395082039 /nfs/dbraw/zinc/08/20/39/395082039.db2.gz DGJUWYWITZDMEA-JSGCOSHPSA-N 0 3 257.337 2.070 20 30 CEEDHN CC#CCCCC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346247736 395092739 /nfs/dbraw/zinc/09/27/39/395092739.db2.gz WEHCTRCRALRSRR-HRCADAONSA-N 0 3 276.424 2.369 20 30 CEEDHN C=CCN1CCC(NC(=O)CCc2ccc(C#N)cc2)CC1 ZINC000171721707 395097523 /nfs/dbraw/zinc/09/75/23/395097523.db2.gz DIUXTMJMNAROHK-UHFFFAOYSA-N 0 3 297.402 2.257 20 30 CEEDHN C=CCCCCNC(=O)N1CCCN(CCC)CC1 ZINC000372140564 395035200 /nfs/dbraw/zinc/03/52/00/395035200.db2.gz PKHRABFMTGDZJV-UHFFFAOYSA-N 0 3 267.417 2.470 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(C#N)s1 ZINC000343719193 395043491 /nfs/dbraw/zinc/04/34/91/395043491.db2.gz YBGCFNSWLLZUBL-NSHDSACASA-N 0 3 279.409 2.326 20 30 CEEDHN C[C@H](N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000376587925 395125799 /nfs/dbraw/zinc/12/57/99/395125799.db2.gz AHTFCLDBJDVBTN-MAZHCROVSA-N 0 3 283.375 2.362 20 30 CEEDHN CC(C)(C)C[C@H]1CCCN1CC(=O)NC1(C#N)CCC1 ZINC000346893858 395111962 /nfs/dbraw/zinc/11/19/62/395111962.db2.gz DAHHMDNNBOBOGO-CYBMUJFWSA-N 0 3 277.412 2.449 20 30 CEEDHN CC(C)(C)C[C@@H]1CCCN1CC(=O)NC1(C#N)CCC1 ZINC000346893859 395112483 /nfs/dbraw/zinc/11/24/83/395112483.db2.gz DAHHMDNNBOBOGO-ZDUSSCGKSA-N 0 3 277.412 2.449 20 30 CEEDHN COC(=O)N1CCC[C@H]([C@H](C)NCc2ccc(C#N)o2)C1 ZINC000495536729 395150320 /nfs/dbraw/zinc/15/03/20/395150320.db2.gz BWTWSSYNKIUTSS-RYUDHWBXSA-N 0 3 291.351 2.108 20 30 CEEDHN COCCOc1cccc(CNCC2(CC#N)CC2)c1 ZINC000430019425 395159790 /nfs/dbraw/zinc/15/97/90/395159790.db2.gz NBHJBNOHPOZHOG-UHFFFAOYSA-N 0 3 274.364 2.495 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000293851151 395253874 /nfs/dbraw/zinc/25/38/74/395253874.db2.gz ANWHDAZSDCUJHO-MRXNPFEDSA-N 0 3 286.419 2.245 20 30 CEEDHN Cc1ccccc1[C@@H]([C@H](C)Nc1ccnc(C#N)n1)N(C)C ZINC000516785829 395184145 /nfs/dbraw/zinc/18/41/45/395184145.db2.gz XLYAESLXHGWILR-SUMWQHHRSA-N 0 3 295.390 2.182 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000293864135 395254592 /nfs/dbraw/zinc/25/45/92/395254592.db2.gz BJBOTPUMQVAYCZ-UONOGXRCSA-N 0 3 290.432 2.231 20 30 CEEDHN CN(CCC(=O)N(C)CCC#N)Cc1ccc(F)c(F)c1 ZINC000181541660 395218874 /nfs/dbraw/zinc/21/88/74/395218874.db2.gz COSRCYZMRGYKKZ-UHFFFAOYSA-N 0 3 295.333 2.159 20 30 CEEDHN Cc1nc(NC[C@H]2CCN2C2CCCC2)ccc1C#N ZINC000528207258 395287719 /nfs/dbraw/zinc/28/77/19/395287719.db2.gz BCXRTLOZKGTCGS-OAHLLOKOSA-N 0 3 270.380 2.112 20 30 CEEDHN N#Cc1cccnc1NC[C@H]1CCN1C1CCCC1 ZINC000528211737 395287853 /nfs/dbraw/zinc/28/78/53/395287853.db2.gz VLYSTWAZXJYICM-CQSZACIVSA-N 0 3 256.353 2.382 20 30 CEEDHN CCOCCO[C@H]1CCN(Cc2ccc(C#N)cc2C)C1 ZINC000186310690 395288590 /nfs/dbraw/zinc/28/85/90/395288590.db2.gz ONJQNQCHBBUZCB-KRWDZBQOSA-N 0 3 288.391 2.494 20 30 CEEDHN Cc1cc(C#N)ccc1CN(C)CCN(C)C1CC1 ZINC000186335565 395290586 /nfs/dbraw/zinc/29/05/86/395290586.db2.gz FTWUOHUCWMRAPM-UHFFFAOYSA-N 0 3 257.381 2.393 20 30 CEEDHN C[C@@H]1C[C@]1(C#N)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000410573775 395305262 /nfs/dbraw/zinc/30/52/62/395305262.db2.gz LLBOAYKAPYBGDE-UWWQBHOKSA-N 0 3 297.402 2.269 20 30 CEEDHN C[C@H](CCC#N)N1CCC(CN2CCCCC2=O)CC1 ZINC000411378783 395326716 /nfs/dbraw/zinc/32/67/16/395326716.db2.gz ZTEWGGUTKXJOBO-CQSZACIVSA-N 0 3 277.412 2.403 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000293864132 395255276 /nfs/dbraw/zinc/25/52/76/395255276.db2.gz BJBOTPUMQVAYCZ-KGLIPLIRSA-N 0 3 290.432 2.231 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000293892126 395256493 /nfs/dbraw/zinc/25/64/93/395256493.db2.gz DOOCJQIOAKRIBK-UHFFFAOYSA-N 0 3 295.386 2.367 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000183490134 395258017 /nfs/dbraw/zinc/25/80/17/395258017.db2.gz BUULXAPSCIEVLI-MRXNPFEDSA-N 0 3 297.402 2.456 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000352539812 395261534 /nfs/dbraw/zinc/26/15/34/395261534.db2.gz CXSVNRHOGBYSBV-ZIAGYGMSSA-N 0 3 267.417 2.467 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(-c2ccccc2)no1 ZINC000294011324 395263225 /nfs/dbraw/zinc/26/32/25/395263225.db2.gz PRPVETZONNKESO-UHFFFAOYSA-N 0 3 297.358 2.027 20 30 CEEDHN C=CC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000184281822 395271174 /nfs/dbraw/zinc/27/11/74/395271174.db2.gz RUNRMRADTNHVAL-LBPRGKRZSA-N 0 3 255.745 2.381 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@]1(C)CCCO ZINC000352869181 395272960 /nfs/dbraw/zinc/27/29/60/395272960.db2.gz OCDBHOWKLBBGKI-MRXNPFEDSA-N 0 3 282.428 2.038 20 30 CEEDHN C[C@H](CNC(=O)NCC(C)(C)CCC#N)N(C)C1CC1 ZINC000352900160 395273995 /nfs/dbraw/zinc/27/39/95/395273995.db2.gz IIQYBKRZFOIGST-GFCCVEGCSA-N 0 3 280.416 2.098 20 30 CEEDHN CC[C@H](C)N[C@@H](CNC(=O)NCCCC#N)c1ccco1 ZINC000355076326 395358169 /nfs/dbraw/zinc/35/81/69/395358169.db2.gz FXTZXQVUJZSLOC-STQMWFEESA-N 0 3 292.383 2.312 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)CS1 ZINC000412593032 395361280 /nfs/dbraw/zinc/36/12/80/395361280.db2.gz LFBUQTHFRPDMED-KCPJHIHWSA-N 0 3 299.399 2.251 20 30 CEEDHN CN(C)C1(CNC(=O)NCC2CCC(C#N)CC2)CCC1 ZINC000440984271 395371459 /nfs/dbraw/zinc/37/14/59/395371459.db2.gz KOYYGEIHRNGFJA-UHFFFAOYSA-N 0 3 292.427 2.100 20 30 CEEDHN C[C@@H](CNc1cncc(C#N)n1)N1CCc2ccccc2C1 ZINC000420578976 395379498 /nfs/dbraw/zinc/37/94/98/395379498.db2.gz ADDAJTCFVKIUSV-ZDUSSCGKSA-N 0 3 293.374 2.207 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000411427575 395328767 /nfs/dbraw/zinc/32/87/67/395328767.db2.gz OCZAGJLZHOPSTF-KGLIPLIRSA-N 0 3 260.385 2.367 20 30 CEEDHN C=CCN(C)CCN(CC)C[C@@H]1CCC(C)(C)O1 ZINC000411644584 395334479 /nfs/dbraw/zinc/33/44/79/395334479.db2.gz JSQSBNKNXHKWGU-AWEZNQCLSA-N 0 3 254.418 2.384 20 30 CEEDHN C=CCN(C)CCN(CC)[C@@H](C(=O)OC)c1ccccc1 ZINC000411635990 395334596 /nfs/dbraw/zinc/33/45/96/395334596.db2.gz CRSXSJNMRCFFKW-MRXNPFEDSA-N 0 3 290.407 2.340 20 30 CEEDHN C=CCN(C)CCN(CC)CCc1cncs1 ZINC000411653583 395335652 /nfs/dbraw/zinc/33/56/52/395335652.db2.gz ZCSVPPSCLDWOHT-UHFFFAOYSA-N 0 3 253.415 2.125 20 30 CEEDHN C[C@@H](CCC#N)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000411654698 395335745 /nfs/dbraw/zinc/33/57/45/395335745.db2.gz HQBAETAPMMDWCW-NSHDSACASA-N 0 3 277.328 2.120 20 30 CEEDHN C=CCN(C)CCN(CC)[C@H](C)c1cnc(C)cn1 ZINC000411651109 395335873 /nfs/dbraw/zinc/33/58/73/395335873.db2.gz UVJBYJSYITYPGJ-CQSZACIVSA-N 0 3 262.401 2.286 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCSC2(CCC2)CC1 ZINC000411869850 395340154 /nfs/dbraw/zinc/34/01/54/395340154.db2.gz NTCUWSCSDQOAQS-ZDUSSCGKSA-N 0 3 295.452 2.109 20 30 CEEDHN CN(C)C(=O)[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000411936249 395342356 /nfs/dbraw/zinc/34/23/56/395342356.db2.gz FKLXSHQOUKPZSA-CQSZACIVSA-N 0 3 290.794 2.102 20 30 CEEDHN OC[C@H](NCC#Cc1ccc(Cl)cc1)[C@@H]1CCCOC1 ZINC000411996080 395345556 /nfs/dbraw/zinc/34/55/56/395345556.db2.gz RHMDQUAYLZEVLY-ZBFHGGJFSA-N 0 3 293.794 2.069 20 30 CEEDHN C=CCN(CCOC)CCOc1cccc(C#N)c1 ZINC000191135578 395349490 /nfs/dbraw/zinc/34/94/90/395349490.db2.gz AXKSVQFTHWBSHB-UHFFFAOYSA-N 0 3 260.337 2.071 20 30 CEEDHN Cc1cc(CNCCC(=O)NC(C)(C)C)ccc1C#N ZINC000443995466 395409185 /nfs/dbraw/zinc/40/91/85/395409185.db2.gz VTJXIZAFMIVZTD-UHFFFAOYSA-N 0 3 273.380 2.261 20 30 CEEDHN N#Cc1cccc(C(=O)NC[C@@H]2CCN2C2CCCCC2)n1 ZINC000529716558 395437468 /nfs/dbraw/zinc/43/74/68/395437468.db2.gz NNGCRPWSWAFOOR-HNNXBMFYSA-N 0 3 298.390 2.090 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)OC(C)C)CC1 ZINC000448923819 395543686 /nfs/dbraw/zinc/54/36/86/395543686.db2.gz WAQRATUUFGBHBE-UHFFFAOYSA-N 0 3 282.428 2.347 20 30 CEEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000573167247 395601676 /nfs/dbraw/zinc/60/16/76/395601676.db2.gz QKMJIAJCJNZLKO-OWCLPIDISA-N 0 3 283.375 2.069 20 30 CEEDHN CCC[C@@H](C)[C@H](CO)NCc1ccc(C#N)cc1OC ZINC000568752201 395569795 /nfs/dbraw/zinc/56/97/95/395569795.db2.gz CKBJYBKNWQAYPJ-DOMZBBRYSA-N 0 3 276.380 2.454 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000570688208 395583091 /nfs/dbraw/zinc/58/30/91/395583091.db2.gz XDRLOGHYVIMRAR-VWYCJHECSA-N 0 3 264.291 2.171 20 30 CEEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)C(C)(C)C ZINC000572758162 395587625 /nfs/dbraw/zinc/58/76/25/395587625.db2.gz ALPSOCKSOAHTSD-UHFFFAOYSA-N 0 3 265.401 2.402 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@@H]1CCN(Cc2ccccc2)C1 ZINC000574104535 395626629 /nfs/dbraw/zinc/62/66/29/395626629.db2.gz KNMZMDSFUHPWAM-IAGOWNOFSA-N 0 3 282.391 2.294 20 30 CEEDHN CC(C)N(C)CC(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000574188174 395627010 /nfs/dbraw/zinc/62/70/10/395627010.db2.gz JRXDDMURMSTCSB-HNNXBMFYSA-N 0 3 265.401 2.305 20 30 CEEDHN CC(C)OC[C@@H](O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595637308 395666403 /nfs/dbraw/zinc/66/64/03/395666403.db2.gz WTZMMXFREZKYEU-HNNXBMFYSA-N 0 3 276.380 2.169 20 30 CEEDHN C[C@@H]1C[C@H]1N1CCN(c2cccnc2C#N)C[C@@H](C)C1 ZINC000488733875 395668402 /nfs/dbraw/zinc/66/84/02/395668402.db2.gz PTPVTAMQFAXXNY-XJKCOSOUSA-N 0 3 270.380 2.120 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1Cc2ccccc2[C@@H]1C ZINC000491404154 395669370 /nfs/dbraw/zinc/66/93/70/395669370.db2.gz AIXKLFWIYWTYTD-AWEZNQCLSA-N 0 3 285.391 2.228 20 30 CEEDHN C#C[C@@H](CC)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000491439682 395669588 /nfs/dbraw/zinc/66/95/88/395669588.db2.gz KXQOVZFORWTJJS-ZFWWWQNUSA-N 0 3 262.397 2.312 20 30 CEEDHN C=CCCCC[C@H](C)NCc1nnc2n1CCOC2 ZINC000648556044 395929303 /nfs/dbraw/zinc/92/93/03/395929303.db2.gz DPQNHLQKYDXKID-LBPRGKRZSA-N 0 3 264.373 2.033 20 30 CEEDHN C=CCn1cc(C(=O)Nc2ccc(CN(C)C)c(C)c2)nn1 ZINC000648928312 396021189 /nfs/dbraw/zinc/02/11/89/396021189.db2.gz HKYKSMLJMUCHTC-UHFFFAOYSA-N 0 3 299.378 2.086 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCCc2cc(OC)ccc2C1 ZINC000649285267 396112535 /nfs/dbraw/zinc/11/25/35/396112535.db2.gz PRLJYWQROUIDKU-MRXNPFEDSA-N 0 3 261.365 2.380 20 30 CEEDHN C=CCOCCN1CCC(c2ccc(OC)cn2)CC1 ZINC000649651023 396221059 /nfs/dbraw/zinc/22/10/59/396221059.db2.gz VRNULSGDBWAOIT-UHFFFAOYSA-N 0 3 276.380 2.472 20 30 CEEDHN C=CCNC(=O)CNC1(c2ccc(C)cc2)CCC1 ZINC000646131301 396299048 /nfs/dbraw/zinc/29/90/48/396299048.db2.gz JQXXYSYIYOSPCE-UHFFFAOYSA-N 0 3 258.365 2.266 20 30 CEEDHN COC[C@@H]1CCCCN1CCOc1ccccc1C#N ZINC000307764936 400339828 /nfs/dbraw/zinc/33/98/28/400339828.db2.gz OKPQGBULAFIYFM-HNNXBMFYSA-N 0 3 274.364 2.438 20 30 CEEDHN CSCC[C@@H](CO)N[C@H](C)c1ccc(C#N)cc1 ZINC000344299595 400367213 /nfs/dbraw/zinc/36/72/13/400367213.db2.gz OWDBLDZPIHFDKQ-RISCZKNCSA-N 0 3 264.394 2.323 20 30 CEEDHN C[C@@H](CNC(=O)c1cscc1C#N)N1CCC[C@H](C)C1 ZINC000432715554 400576767 /nfs/dbraw/zinc/57/67/67/400576767.db2.gz ZPPAXHBQTFBFPX-RYUDHWBXSA-N 0 3 291.420 2.470 20 30 CEEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000488978076 400586902 /nfs/dbraw/zinc/58/69/02/400586902.db2.gz KACCMKMXZBWJRE-XJKSGUPXSA-N 0 3 286.375 2.498 20 30 CEEDHN Cn1cc(CNCCCOc2ccccc2)cc1C#N ZINC000189591863 153102099 /nfs/dbraw/zinc/10/20/99/153102099.db2.gz WHXSUODCHVBYRO-UHFFFAOYSA-N 0 3 269.348 2.455 20 30 CEEDHN COCc1cc(CNCc2cc(C#N)n(C)c2)ccc1F ZINC000190984716 153150166 /nfs/dbraw/zinc/15/01/66/153150166.db2.gz CRHZEVPHZUBDEI-UHFFFAOYSA-N 0 3 287.338 2.472 20 30 CEEDHN CCN(C)C(=O)CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360884980 155395308 /nfs/dbraw/zinc/39/53/08/155395308.db2.gz QZLHNAIKSLVNFU-MRXNPFEDSA-N 0 3 285.391 2.394 20 30 CEEDHN N#Cc1ccccc1OCCN[C@H](CO)c1ccsc1 ZINC000352022037 154321275 /nfs/dbraw/zinc/32/12/75/154321275.db2.gz NSXSLVYAUJOQBR-CQSZACIVSA-N 0 3 288.372 2.322 20 30 CEEDHN CC[C@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367209936 156149856 /nfs/dbraw/zinc/14/98/56/156149856.db2.gz XPPKTMAFYWGIJU-INIZCTEOSA-N 0 3 256.349 2.418 20 30 CEEDHN CC(C)[C@]1(CO)CCN(Cc2ccc(C#N)cc2)C1 ZINC000368095509 156286206 /nfs/dbraw/zinc/28/62/06/156286206.db2.gz QNTZVUOQDOAQJX-MRXNPFEDSA-N 0 3 258.365 2.399 20 30 CEEDHN COC(=O)[C@]12CCC[C@H]1CN(Cc1ccc(C#N)s1)C2 ZINC000374683762 157005545 /nfs/dbraw/zinc/00/55/45/157005545.db2.gz SLWMUJBDVKQFGI-NHYWBVRUSA-N 0 3 290.388 2.395 20 30 CEEDHN COC[C@@H]1CCCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000375451443 157097673 /nfs/dbraw/zinc/09/76/73/157097673.db2.gz TWLQSZXDBUOCRN-CYBMUJFWSA-N 0 3 261.369 2.145 20 30 CEEDHN N#Cc1cccc(OCCN2CCOCC3(CCC3)C2)c1 ZINC000375799344 157144136 /nfs/dbraw/zinc/14/41/36/157144136.db2.gz ZDIYVAUTBHTBSH-UHFFFAOYSA-N 0 3 286.375 2.440 20 30 CEEDHN C[C@@H]1CN(CCCOc2cccc(C#N)c2)CC[C@@H]1O ZINC000166270814 162347069 /nfs/dbraw/zinc/34/70/69/162347069.db2.gz LYGQGBZKNGQAEO-CJNGLKHVSA-N 0 3 274.364 2.030 20 30 CEEDHN N#Cc1ccsc1C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000170684642 165040007 /nfs/dbraw/zinc/04/00/07/165040007.db2.gz RFADZFABZUYTJI-ZDUSSCGKSA-N 0 3 289.404 2.320 20 30 CEEDHN Cn1cc(N2CCC[C@@H](NCc3ccc(C#N)cc3)C2)cn1 ZINC000174519032 165107348 /nfs/dbraw/zinc/10/73/48/165107348.db2.gz NKHCBYLRDAFTAA-MRXNPFEDSA-N 0 3 295.390 2.050 20 30 CEEDHN CN1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1ccccc1 ZINC000181367475 165341231 /nfs/dbraw/zinc/34/12/31/165341231.db2.gz HAUVRCQTYZGAQW-CVEARBPZSA-N 0 3 294.358 2.062 20 30 CEEDHN C[C@@H](C1CC1)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000035207505 172052054 /nfs/dbraw/zinc/05/20/54/172052054.db2.gz DPVLURVKZLFEOJ-NSHDSACASA-N 0 3 257.337 2.227 20 30 CEEDHN CC(C)C(=O)NCCN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000037219895 173037879 /nfs/dbraw/zinc/03/78/79/173037879.db2.gz RVGNVCDBJLLSCD-ZDUSSCGKSA-N 0 3 289.379 2.012 20 30 CEEDHN C[C@H](NC(=O)c1ccc(F)c(C#N)c1)C1=CCN(C)CC1 ZINC000285773017 196394471 /nfs/dbraw/zinc/39/44/71/196394471.db2.gz JMCYEEGGBPYNGR-NSHDSACASA-N 0 3 287.338 2.078 20 30 CEEDHN C=C(C)[C@@H](CO)N(C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000653849462 414756953 /nfs/dbraw/zinc/75/69/53/414756953.db2.gz BMUDLCUSTVYTFS-LLVKDONJSA-N 0 3 285.290 2.377 20 30 CEEDHN C=CCN1CCC(NC(=O)NC2CC(C)(C)C2)CC1 ZINC000660704440 414940152 /nfs/dbraw/zinc/94/01/52/414940152.db2.gz NYCZTPLTKFLAEQ-UHFFFAOYSA-N 0 3 265.401 2.125 20 30 CEEDHN C=CCCn1cc(CNCCN2CCCC[C@H]2CC)nn1 ZINC000657359342 414884897 /nfs/dbraw/zinc/88/48/97/414884897.db2.gz UCCWGRBNPGDOMU-MRXNPFEDSA-N 0 3 291.443 2.208 20 30 CEEDHN C=CCCn1cc(CN[C@@H](C)CCc2cccn2C)nn1 ZINC000657377699 414896619 /nfs/dbraw/zinc/89/66/19/414896619.db2.gz UPUDDBMDFBIRCY-AWEZNQCLSA-N 0 3 287.411 2.304 20 30 CEEDHN C=C(C)CCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654580170 414977810 /nfs/dbraw/zinc/97/78/10/414977810.db2.gz OEWXIYWLWNJNLG-ZIAGYGMSSA-N 0 3 265.401 2.269 20 30 CEEDHN C=CCOc1cccc(CNC[C@H](OC)[C@@H]2CCOC2)c1 ZINC000657543867 414995255 /nfs/dbraw/zinc/99/52/55/414995255.db2.gz NFKKCWZFMUJJBO-WBVHZDCISA-N 0 3 291.391 2.393 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000660857271 415010138 /nfs/dbraw/zinc/01/01/38/415010138.db2.gz JLKCEPHLIANMQU-ZQDZILKHSA-N 0 3 277.412 2.362 20 30 CEEDHN C=CCCn1cc(CN[C@H]2CCc3cc(O)ccc3C2)nn1 ZINC000657450154 414944125 /nfs/dbraw/zinc/94/41/25/414944125.db2.gz KGOCZBCVHBBYMQ-HNNXBMFYSA-N 0 3 298.390 2.207 20 30 CEEDHN C=CCCn1cc(CNC[C@@H]2CCCSC2)nn1 ZINC000657466835 414954153 /nfs/dbraw/zinc/95/41/53/414954153.db2.gz BOOZGQMXCCDERF-LBPRGKRZSA-N 0 3 266.414 2.087 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1C[C@@H]2CCCC[C@@H]21 ZINC000660927578 415040230 /nfs/dbraw/zinc/04/02/30/415040230.db2.gz BADQODICCDPYGD-ILXRZTDVSA-N 0 3 262.397 2.450 20 30 CEEDHN C=CCN(C[C@@H](O)COc1ccc(F)cc1)[C@H](C)COC ZINC000661245301 415155746 /nfs/dbraw/zinc/15/57/46/415155746.db2.gz AUJYEFGOTPOOOW-UKRRQHHQSA-N 0 3 297.370 2.088 20 30 CEEDHN C=C(CC)CNC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000661289271 415183359 /nfs/dbraw/zinc/18/33/59/415183359.db2.gz DZSSHMYHJDNQDT-CQSZACIVSA-N 0 3 267.417 2.372 20 30 CEEDHN CC(C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000044572651 175210378 /nfs/dbraw/zinc/21/03/78/175210378.db2.gz WYZTWYQPACQQRQ-GFCCVEGCSA-N 0 3 274.324 2.361 20 30 CEEDHN C=CC[C@H]1CCCN(CCc2nnn(C(C)(C)C)n2)C1 ZINC000661384924 415235005 /nfs/dbraw/zinc/23/50/05/415235005.db2.gz LWMLGVUCROLNIN-ZDUSSCGKSA-N 0 3 277.416 2.259 20 30 CEEDHN C=CCOCCN[C@@H](COC)c1cccc(OC)c1 ZINC000661471297 415277712 /nfs/dbraw/zinc/27/77/12/415277712.db2.gz VYVRLGDIVXPRKL-HNNXBMFYSA-N 0 3 265.353 2.175 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCN2CC)C1 ZINC000664212865 415228592 /nfs/dbraw/zinc/22/85/92/415228592.db2.gz LEBYLRCSCIFYBW-CABCVRRESA-N 0 3 279.428 2.468 20 30 CEEDHN C=CC[C@H](C)NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659034957 415397946 /nfs/dbraw/zinc/39/79/46/415397946.db2.gz RZPJUYJEIVJJDY-WFASDCNBSA-N 0 3 289.379 2.434 20 30 CEEDHN C=C(C)CN1CCC(NCc2cc3n(n2)CCCC3)CC1 ZINC000655730668 415419071 /nfs/dbraw/zinc/41/90/71/415419071.db2.gz KUHIANWESNFWGE-UHFFFAOYSA-N 0 3 288.439 2.350 20 30 CEEDHN C=CC[C@@H](CO)CN[C@H](C)c1cn2ccccc2n1 ZINC000655737125 415422511 /nfs/dbraw/zinc/42/25/11/415422511.db2.gz VTZZRKKIPVKUJS-CHWSQXEVSA-N 0 3 259.353 2.170 20 30 CEEDHN C=C(CC)CNC(=O)N[C@H](CC)CN1CCCC1 ZINC000655680172 415382645 /nfs/dbraw/zinc/38/26/45/415382645.db2.gz JAVHUTUBGGYXFT-CYBMUJFWSA-N 0 3 253.390 2.126 20 30 CEEDHN C=CCN(C(=O)C[C@H]1NCc2ccccc21)[C@@H](C)COC ZINC000659339705 415528251 /nfs/dbraw/zinc/52/82/51/415528251.db2.gz KNPSJNUILVIMDE-XJKSGUPXSA-N 0 3 288.391 2.271 20 30 CEEDHN C=CC(C)(C)CNC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000665023782 415555220 /nfs/dbraw/zinc/55/52/20/415555220.db2.gz JPEVQQKQTWVQFZ-CYBMUJFWSA-N 0 3 267.417 2.324 20 30 CEEDHN C=CCCCCCN1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662011530 415571718 /nfs/dbraw/zinc/57/17/18/415571718.db2.gz LSXOUTMEZSIFKZ-CQSZACIVSA-N 0 3 267.417 2.421 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000662083555 415615134 /nfs/dbraw/zinc/61/51/34/415615134.db2.gz FXMXOMVODLEUAE-GRYCIOLGSA-N 0 3 288.313 2.333 20 30 CEEDHN Fc1ccc(C#CCN2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000662035011 415584185 /nfs/dbraw/zinc/58/41/85/415584185.db2.gz QIIUBNYXLMOKNG-CABCVRRESA-N 0 3 259.324 2.146 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](C2CCC2)C1 ZINC000665284611 415675734 /nfs/dbraw/zinc/67/57/34/415675734.db2.gz OTAAMLKPICBZRK-HNNXBMFYSA-N 0 3 262.397 2.309 20 30 CEEDHN C=CCN(Cc1cccs1)C[C@@H]1CCC2(CNC2)O1 ZINC000662249286 415712481 /nfs/dbraw/zinc/71/24/81/415712481.db2.gz SEILOUWWZRURKU-ZDUSSCGKSA-N 0 3 278.421 2.257 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000662631680 415913108 /nfs/dbraw/zinc/91/31/08/415913108.db2.gz XKVSZNNQUXICSJ-JKSUJKDBSA-N 0 3 272.392 2.371 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000662631678 415913625 /nfs/dbraw/zinc/91/36/25/415913625.db2.gz XKVSZNNQUXICSJ-HOTGVXAUSA-N 0 3 272.392 2.371 20 30 CEEDHN C[C@@H](CNc1nc(C(F)(F)F)ccc1C#N)N(C)C ZINC000078833597 177395586 /nfs/dbraw/zinc/39/55/86/177395586.db2.gz JYWBHVUXNZGZCD-QMMMGPOBSA-N 0 3 272.274 2.334 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC(C)C)C(C)C ZINC000079011190 177414993 /nfs/dbraw/zinc/41/49/93/177414993.db2.gz SPVXLYAOXPLSMN-CQSZACIVSA-N 0 3 267.417 2.393 20 30 CEEDHN C=CCOCCCC(=O)NCc1ccccc1CN(C)C ZINC000079323691 177468561 /nfs/dbraw/zinc/46/85/61/177468561.db2.gz FYTNHVABDXVKOE-UHFFFAOYSA-N 0 3 290.407 2.347 20 30 CEEDHN CC(C#N)C(=O)N1CCC(OC2CCCCC2)CC1 ZINC000334675292 225244287 /nfs/dbraw/zinc/24/42/87/225244287.db2.gz WPMGJJWSOXYZIH-LBPRGKRZSA-N 0 3 264.369 2.486 20 30 CEEDHN CC(C#N)C(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000345772437 225598499 /nfs/dbraw/zinc/59/84/99/225598499.db2.gz GSPHMQSHXSOXDE-SECBINFHSA-N 0 3 286.253 2.360 20 30 CEEDHN Cc1cc(C)n(-c2ccc(CCNC(=O)C(C)C#N)cc2)n1 ZINC000347065490 226011927 /nfs/dbraw/zinc/01/19/27/226011927.db2.gz IWMIRUQZBZPWJY-GFCCVEGCSA-N 0 3 296.374 2.308 20 30 CEEDHN N#CC1(NC(=O)CN[C@@H](Cc2ccccc2)C2CC2)CCC1 ZINC000346973448 226001001 /nfs/dbraw/zinc/00/10/01/226001001.db2.gz SUGGRRWZHRBHEE-INIZCTEOSA-N 0 3 297.402 2.160 20 30 CEEDHN Cn1cnc2cc(CN[C@@H]3CC[C@H](C#N)C3)ccc21 ZINC000335286063 226229592 /nfs/dbraw/zinc/22/95/92/226229592.db2.gz NXQPYQPONKEUFC-WCQYABFASA-N 0 3 254.337 2.355 20 30 CEEDHN C=CCOc1ccc(C[N@@H+]2CC[C@H](c3nnc[n-]3)C2)cc1 ZINC000575176035 335075659 /nfs/dbraw/zinc/07/56/59/335075659.db2.gz DPKJDQABDQEAPM-AWEZNQCLSA-N 0 3 284.363 2.359 20 30 CEEDHN C=CCOc1ccc(C[N@H+]2CC[C@H](c3nnc[n-]3)C2)cc1 ZINC000575176035 335075661 /nfs/dbraw/zinc/07/56/61/335075661.db2.gz DPKJDQABDQEAPM-AWEZNQCLSA-N 0 3 284.363 2.359 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CCC(C=C)CC2)CC1 ZINC000171907765 335084274 /nfs/dbraw/zinc/08/42/74/335084274.db2.gz MTSAQIGGVBLONY-UHFFFAOYSA-N 0 3 277.412 2.244 20 30 CEEDHN CC(C#N)C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1 ZINC000354997555 227298252 /nfs/dbraw/zinc/29/82/52/227298252.db2.gz SCYWMAPMUTYRRS-VOMCLLRMSA-N 0 3 280.368 2.163 20 30 CEEDHN O=C(Cc1ccc2c[nH]nc2c1)N[C@H]1CCN(C2CC2)C1 ZINC000330045804 228025574 /nfs/dbraw/zinc/02/55/74/228025574.db2.gz GMUVPARYUQBVIS-ZDUSSCGKSA-N 0 3 284.363 2.299 20 30 CEEDHN N#Cc1csc(CN2CCC[C@@H]2CN2CCCCC2)n1 ZINC000356053913 228102829 /nfs/dbraw/zinc/10/28/29/228102829.db2.gz JLVICAXQQGUTOA-CQSZACIVSA-N 0 3 290.436 2.465 20 30 CEEDHN Cc1nnccc1NC(=O)C1CCN(C2CC2)CC1 ZINC000330114166 228042702 /nfs/dbraw/zinc/04/27/02/228042702.db2.gz DOOREKZKSUPSMY-UHFFFAOYSA-N 0 3 260.341 2.247 20 30 CEEDHN C[C@@H]1CCCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2ccnc2C1 ZINC000330174131 228055807 /nfs/dbraw/zinc/05/58/07/228055807.db2.gz HWZLVZUDFHEXNR-UPJWGTAASA-N 0 3 276.384 2.280 20 30 CEEDHN O=C(NC1(CO)CCCC1)C1CCN(C2CC2)CC1 ZINC000330209841 228067037 /nfs/dbraw/zinc/06/70/37/228067037.db2.gz BZNWMXIPQYZBGH-UHFFFAOYSA-N 0 3 266.385 2.122 20 30 CEEDHN Cc1nn(C)c(C)c1CCNC(=O)[C@H]1CCCN1C1CC1 ZINC000330233145 228074879 /nfs/dbraw/zinc/07/48/79/228074879.db2.gz RXWPNSNKYISAKX-OAHLLOKOSA-N 0 3 290.411 2.163 20 30 CEEDHN Cc1ccc(NC(=O)C(C#N)c2ccncn2)s1 ZINC000352322004 228219815 /nfs/dbraw/zinc/21/98/15/228219815.db2.gz GAWXJDVAIMJXDT-VIFPVBQESA-N 0 3 258.306 2.092 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccc(CN)c1 ZINC000667735330 419786043 /nfs/dbraw/zinc/78/60/43/419786043.db2.gz QNRJOKKWLULTNI-HIFRSBDPSA-N 0 3 289.379 2.248 20 30 CEEDHN C=CCNC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000186950656 260024690 /nfs/dbraw/zinc/02/46/90/260024690.db2.gz IORAXBAJKBIPMN-MRXNPFEDSA-N 0 3 287.407 2.382 20 30 CEEDHN CCn1cnnc1C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000407988826 260153002 /nfs/dbraw/zinc/15/30/02/260153002.db2.gz GJGVWRMUACOTTA-GXTWGEPZSA-N 0 3 273.384 2.170 20 30 CEEDHN C=CCSCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000222056497 260229104 /nfs/dbraw/zinc/22/91/04/260229104.db2.gz SPGYXUPSALXPLD-UHFFFAOYSA-N 0 3 267.350 2.130 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1[C@H](CC)CC[C@@H]1C ZINC000357556311 260230401 /nfs/dbraw/zinc/23/04/01/260230401.db2.gz VRDRUPLYOUZSDO-UONOGXRCSA-N 0 3 250.386 2.450 20 30 CEEDHN C#CCCN1CCCN(c2ccc(OC)cc2)CC1 ZINC000363451274 260261782 /nfs/dbraw/zinc/26/17/82/260261782.db2.gz SZHPEEPQOBTDRK-UHFFFAOYSA-N 0 3 258.365 2.231 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cnc(CC)s2)CC1 ZINC000517994531 260332277 /nfs/dbraw/zinc/33/22/77/260332277.db2.gz JGWGUGCAQWTAFI-UHFFFAOYSA-N 0 3 279.409 2.086 20 30 CEEDHN CC[C@@H]1CCCCCN1CC(=O)N(CCC#N)CCC#N ZINC000150740555 260582530 /nfs/dbraw/zinc/58/25/30/260582530.db2.gz CBQWCHFCMDSOCE-OAHLLOKOSA-N 0 3 290.411 2.297 20 30 CEEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000150883489 260588060 /nfs/dbraw/zinc/58/80/60/260588060.db2.gz FWSISLDDRAVMSM-LSDHHAIUSA-N 0 3 282.428 2.348 20 30 CEEDHN C=CCCCNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000448030897 260604271 /nfs/dbraw/zinc/60/42/71/260604271.db2.gz NYNCJWBQNHAISN-UHFFFAOYSA-N 0 3 253.390 2.078 20 30 CEEDHN C=CCCCCNC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000368412982 261110049 /nfs/dbraw/zinc/11/00/49/261110049.db2.gz QXEOXSPREVFFKZ-ZIAGYGMSSA-N 0 3 265.401 2.078 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1c(C)cccc1C ZINC000490973398 261273130 /nfs/dbraw/zinc/27/31/30/261273130.db2.gz KQUBRICVVPLREW-KBPBESRZSA-N 0 3 258.365 2.092 20 30 CEEDHN C[C@@H](C#N)Oc1ccccc1NC1CCN(C)CC1 ZINC000162265445 261274905 /nfs/dbraw/zinc/27/49/05/261274905.db2.gz PYMXCUWXRCRPAM-LBPRGKRZSA-N 0 3 259.353 2.484 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N1CCCN(C2CCOCC2)CC1 ZINC000364073042 262140380 /nfs/dbraw/zinc/14/03/80/262140380.db2.gz DUWLUHXYNSEYOQ-OAHLLOKOSA-N 0 3 294.439 2.302 20 30 CEEDHN C#CCCCN1CCCN(c2ncccc2F)CC1 ZINC000364144742 262157461 /nfs/dbraw/zinc/15/74/61/262157461.db2.gz WNTFZIRGBLYBEP-UHFFFAOYSA-N 0 3 261.344 2.146 20 30 CEEDHN C=CCOc1ccccc1CNC[C@](C)(O)CSC ZINC000120663708 262225489 /nfs/dbraw/zinc/22/54/89/262225489.db2.gz RJYONPGZHBQCLY-HNNXBMFYSA-N 0 3 281.421 2.455 20 30 CEEDHN C=CCCOCCNCc1ccccc1NC(C)=O ZINC000120872461 262238761 /nfs/dbraw/zinc/23/87/61/262238761.db2.gz YTGSNOIPULGOOP-UHFFFAOYSA-N 0 3 262.353 2.327 20 30 CEEDHN C#CCN1[C@@H]2CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000364597009 262254897 /nfs/dbraw/zinc/25/48/97/262254897.db2.gz CPKYCPVIGXYUTC-XYYAHUGASA-N 0 3 264.369 2.140 20 30 CEEDHN C=CC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000184745619 262298223 /nfs/dbraw/zinc/29/82/23/262298223.db2.gz YXKVVHSBSZVOEE-NSHDSACASA-N 0 3 271.744 2.081 20 30 CEEDHN C[C@H]1C[C@H]1CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000488303546 262306338 /nfs/dbraw/zinc/30/63/38/262306338.db2.gz ZAIKQNFWSYKVHW-STQMWFEESA-N 0 3 273.355 2.475 20 30 CEEDHN C=CCOc1ccc(CN2C[C@@H](O)[C@@H](CC)C2)cc1 ZINC000355181924 262352615 /nfs/dbraw/zinc/35/26/15/262352615.db2.gz CVLCREMHEJKBDS-GOEBONIOSA-N 0 3 261.365 2.454 20 30 CEEDHN Cc1nsc(N2CCCN(CCCCC#N)CC2)n1 ZINC000365642201 262392196 /nfs/dbraw/zinc/39/21/96/262392196.db2.gz KSUOXMWXHLRMNJ-UHFFFAOYSA-N 0 3 279.413 2.053 20 30 CEEDHN C[C@@H]1[C@H](C(F)(F)F)CCN1CCOCCC#N ZINC000339141338 262603476 /nfs/dbraw/zinc/60/34/76/262603476.db2.gz SHSSYSIKWPWQOO-NXEZZACHSA-N 0 3 250.264 2.189 20 30 CEEDHN Cc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc1[O-] ZINC000272514979 263005634 /nfs/dbraw/zinc/00/56/34/263005634.db2.gz UZZIQWBBEBVLNG-UHFFFAOYSA-N 0 3 289.379 2.008 20 30 CEEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)CCN(C)C ZINC000272672593 263008128 /nfs/dbraw/zinc/00/81/28/263008128.db2.gz LHBQHBOFJONKOE-LBPRGKRZSA-N 0 3 290.367 2.003 20 30 CEEDHN C[C@H](CCC#N)N(C)C[C@@H](O)COCc1ccccc1 ZINC000276265953 263035368 /nfs/dbraw/zinc/03/53/68/263035368.db2.gz BWMBIIMZBZSDNB-GDBMZVCRSA-N 0 3 276.380 2.188 20 30 CEEDHN C[C@H]1CSCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280248283 263060013 /nfs/dbraw/zinc/06/00/13/263060013.db2.gz BUTSQWMXQJJZMT-SWLSCSKDSA-N 0 3 299.399 2.204 20 30 CEEDHN CN(CCC#N)c1ccc(CN2C[C@@H](O)C(C)(C)C2)cc1 ZINC000280379328 263060748 /nfs/dbraw/zinc/06/07/48/263060748.db2.gz FEZRCSBGSHIEFU-MRXNPFEDSA-N 0 3 287.407 2.239 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@H](OCCOC)C1 ZINC000438547544 263071614 /nfs/dbraw/zinc/07/16/14/263071614.db2.gz RRVIATKPGUBXST-INIZCTEOSA-N 0 3 291.391 2.489 20 30 CEEDHN CN1CCN(CCCC#N)C[C@H]1Cc1ccccc1 ZINC000284674792 263087746 /nfs/dbraw/zinc/08/77/46/263087746.db2.gz GOIJOXSAOPMOTH-MRXNPFEDSA-N 0 3 257.381 2.149 20 30 CEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(CC#N)cc1 ZINC000285729954 263095397 /nfs/dbraw/zinc/09/53/97/263095397.db2.gz IVNYJRBEDBVBJY-YOEHRIQHSA-N 0 3 297.402 2.451 20 30 CEEDHN C=CCOc1ccc(CN(C)[C@@H](C)CO)cc1OC ZINC000289512267 263110721 /nfs/dbraw/zinc/11/07/21/263110721.db2.gz UVMMJMWLQOIXFL-LBPRGKRZSA-N 0 3 265.353 2.073 20 30 CEEDHN COc1ccc([C@@H]2CCN(CCOCCC#N)C2)cc1 ZINC000293018112 263137301 /nfs/dbraw/zinc/13/73/01/263137301.db2.gz IAHZKNNHQUKOIM-OAHLLOKOSA-N 0 3 274.364 2.415 20 30 CEEDHN CC1(C#N)CCN(C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000294660164 263165907 /nfs/dbraw/zinc/16/59/07/263165907.db2.gz REEVMUIYWANVSK-OAHLLOKOSA-N 0 3 276.355 2.355 20 30 CEEDHN C=CC[C@H](CO)CNCc1cn2cc(Cl)ccc2n1 ZINC000341374353 263334742 /nfs/dbraw/zinc/33/47/42/263334742.db2.gz OKAQWOBPHDHQJH-NSHDSACASA-N 0 3 279.771 2.262 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000341461199 263336892 /nfs/dbraw/zinc/33/68/92/263336892.db2.gz ITZRQTAWZDONIZ-KBPBESRZSA-N 0 3 267.417 2.324 20 30 CEEDHN C=C(C)[C@@H](CC(=O)N1CC[C@@H](N2CCCC2)C1)OCC ZINC000366737984 263342515 /nfs/dbraw/zinc/34/25/15/263342515.db2.gz GTLGFWFODIEDHD-HUUCEWRRSA-N 0 3 280.412 2.054 20 30 CEEDHN CN(C)[C@H](CC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000416142249 263673074 /nfs/dbraw/zinc/67/30/74/263673074.db2.gz GDYJUVJDCYYFLU-CQSZACIVSA-N 0 3 271.364 2.242 20 30 CEEDHN CN(C)[C@@H](CC(=O)N[C@@H](C#N)C1CC1)c1ccccc1 ZINC000416162240 263677708 /nfs/dbraw/zinc/67/77/08/263677708.db2.gz UKUSXEJSGBSKFR-GJZGRUSLSA-N 0 3 271.364 2.098 20 30 CEEDHN CCn1nccc1NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000330698949 264006126 /nfs/dbraw/zinc/00/61/26/264006126.db2.gz XBQDYVXFVDYRJO-ZDUSSCGKSA-N 0 3 293.415 2.349 20 30 CEEDHN CC(C)Cn1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cn1 ZINC000330777483 264035127 /nfs/dbraw/zinc/03/51/27/264035127.db2.gz AIZUZSMQWROHBQ-TZMCWYRMSA-N 0 3 278.400 2.326 20 30 CEEDHN CCC(C)(C)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000330797560 264040655 /nfs/dbraw/zinc/04/06/55/264040655.db2.gz XYLHDYSYTYRNHM-UHFFFAOYSA-N 0 3 265.401 2.449 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000330905878 264073896 /nfs/dbraw/zinc/07/38/96/264073896.db2.gz NADLXIIVELBMPQ-PWSUYJOCSA-N 0 3 277.324 2.382 20 30 CEEDHN CN1CCC(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000330951457 264086402 /nfs/dbraw/zinc/08/64/02/264086402.db2.gz DTJQWXGHHZVRBV-UHFFFAOYSA-N 0 3 296.302 2.154 20 30 CEEDHN CSc1c(C(=O)NCCN2CCCC[C@@H]2C)cnn1C ZINC000331072983 264114543 /nfs/dbraw/zinc/11/45/43/264114543.db2.gz JSDXIZFQQDBCLG-NSHDSACASA-N 0 3 296.440 2.321 20 30 CEEDHN CC1(C)[C@@H](O)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000331149335 264138874 /nfs/dbraw/zinc/13/88/74/264138874.db2.gz JAYQWHRTJIIAKS-GJZGRUSLSA-N 0 3 286.375 2.131 20 30 CEEDHN Cc1cc(C(C#N)C(=O)c2ccnn2C(C)C)nc(C)n1 ZINC000331190808 264157155 /nfs/dbraw/zinc/15/71/55/264157155.db2.gz WLCBALGXFNFHGW-LBPRGKRZSA-N 0 3 283.335 2.361 20 30 CEEDHN COc1cc(NC(=O)NCC2=CCN(C)CC2)ccc1F ZINC000331299227 264198685 /nfs/dbraw/zinc/19/86/85/264198685.db2.gz PSVXAXQNGIDVRA-UHFFFAOYSA-N 0 3 293.342 2.422 20 30 CEEDHN C=CCCCN(C)CC(=O)NCc1ccc(F)cc1 ZINC000076736275 264344168 /nfs/dbraw/zinc/34/41/68/264344168.db2.gz CQFVPHLVYOCUHC-UHFFFAOYSA-N 0 3 264.344 2.340 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)c1ccc(N(C)CC)cc1 ZINC000180036741 264389910 /nfs/dbraw/zinc/38/99/10/264389910.db2.gz IYIBKLSHOJJUQL-CYBMUJFWSA-N 0 3 275.396 2.096 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(C)nn(C)c1Cl ZINC000280703167 264459070 /nfs/dbraw/zinc/45/90/70/264459070.db2.gz SQRANLKRRRHTBR-DGCLKSJQSA-N 0 3 283.803 2.453 20 30 CEEDHN C=CCCOCCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284925982 264536224 /nfs/dbraw/zinc/53/62/24/264536224.db2.gz DGODSCFNSCFPLC-LLVKDONJSA-N 0 3 279.340 2.420 20 30 CEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C#Cc1ccccc1 ZINC000288331439 264660705 /nfs/dbraw/zinc/66/07/05/264660705.db2.gz JMKCEEIJTQOLGC-WBVHZDCISA-N 0 3 282.387 2.123 20 30 CEEDHN C#C[C@H](NCc1c[nH]nc1-c1cccnc1)C(C)C ZINC000289377947 264720926 /nfs/dbraw/zinc/72/09/26/264720926.db2.gz MFIATWGMKBABEQ-AWEZNQCLSA-N 0 3 254.337 2.219 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000297209234 265041494 /nfs/dbraw/zinc/04/14/94/265041494.db2.gz DXCAXJJSZHCXCJ-CQSZACIVSA-N 0 3 277.412 2.244 20 30 CEEDHN C[C@H](C#N)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000344940587 265069644 /nfs/dbraw/zinc/06/96/44/265069644.db2.gz IGMOKTHQUXEWMN-LLVKDONJSA-N 0 3 295.333 2.015 20 30 CEEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCCNC1=O ZINC000518908523 265209003 /nfs/dbraw/zinc/20/90/03/265209003.db2.gz FUOSDSCFCOGDDM-CVEARBPZSA-N 0 3 283.375 2.194 20 30 CEEDHN C=CCN(CCOC)CCOc1ccc(C#N)cc1 ZINC000191143959 265593294 /nfs/dbraw/zinc/59/32/94/265593294.db2.gz DINLJFIMWSNXAL-UHFFFAOYSA-N 0 3 260.337 2.071 20 30 CEEDHN CC(C#N)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000357784978 266361158 /nfs/dbraw/zinc/36/11/58/266361158.db2.gz BIPKYHIFVSJIIY-BMIGLBTASA-N 0 3 286.331 2.185 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000357836060 266374652 /nfs/dbraw/zinc/37/46/52/266374652.db2.gz ULWAVTBEHZJSQT-NSHDSACASA-N 0 3 297.314 2.308 20 30 CEEDHN COc1cc(CN[C@H]2COC(C)(C)C2)ccc1C#N ZINC000396529902 266831179 /nfs/dbraw/zinc/83/11/79/266831179.db2.gz JXVJIZQDKPMXCZ-CYBMUJFWSA-N 0 3 260.337 2.224 20 30 CEEDHN CCOc1cccc(CNC(=O)C(C)C#N)c1OC(F)F ZINC000362549158 267006438 /nfs/dbraw/zinc/00/64/38/267006438.db2.gz CEGLZFVYCFHZPE-VIFPVBQESA-N 0 3 298.289 2.463 20 30 CEEDHN C=CCN(C)[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000362564792 267008135 /nfs/dbraw/zinc/00/81/35/267008135.db2.gz OCYHWVPJSRGNOX-CYBMUJFWSA-N 0 3 294.420 2.405 20 30 CEEDHN C=C[C@H](C)NC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000362613156 267023249 /nfs/dbraw/zinc/02/32/49/267023249.db2.gz JORKOFCMXKWTJJ-AWEZNQCLSA-N 0 3 287.407 2.133 20 30 CEEDHN C=C[C@H](C)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000362626400 267025290 /nfs/dbraw/zinc/02/52/90/267025290.db2.gz CGRATFIKTDDYGO-LBPRGKRZSA-N 0 3 277.368 2.323 20 30 CEEDHN C=CCSCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000368053076 267143017 /nfs/dbraw/zinc/14/30/17/267143017.db2.gz BSHITGAMXPSUCK-AWEZNQCLSA-N 0 3 288.432 2.234 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368065318 267143471 /nfs/dbraw/zinc/14/34/71/267143471.db2.gz SQAMOFSEAMNFTO-GJZGRUSLSA-N 0 3 297.402 2.056 20 30 CEEDHN CC(C)(C#N)c1ccccc1CN1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368065320 267143659 /nfs/dbraw/zinc/14/36/59/267143659.db2.gz SQAMOFSEAMNFTO-LSDHHAIUSA-N 0 3 297.402 2.056 20 30 CEEDHN CCO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(C#N)cc1 ZINC000451941478 267149509 /nfs/dbraw/zinc/14/95/09/267149509.db2.gz YWHULJLABGFHSJ-NILFDRSVSA-N 0 3 260.337 2.013 20 30 CEEDHN CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCCC#N ZINC000368671298 267196698 /nfs/dbraw/zinc/19/66/98/267196698.db2.gz VEAIQYCHZCJUGT-ZIAGYGMSSA-N 0 3 263.385 2.156 20 30 CEEDHN CN(CCN1CCCC1)C(=O)Nc1ccc(CC#N)cc1 ZINC000118796942 267268890 /nfs/dbraw/zinc/26/88/90/267268890.db2.gz PWZZITZQKVJLAL-UHFFFAOYSA-N 0 3 286.379 2.312 20 30 CEEDHN CN(C(=O)/C=C\c1ccc(C#N)cc1)[C@H]1CCN(C2CC2)C1 ZINC000491684283 267270394 /nfs/dbraw/zinc/27/03/94/267270394.db2.gz DHHYNAZVXPXZGH-SKHCZCESSA-N 0 3 295.386 2.267 20 30 CEEDHN CN(C)CCc1ccccc1NC(=O)c1ccc(C#N)n1C ZINC000451007362 267281154 /nfs/dbraw/zinc/28/11/54/267281154.db2.gz XYIRNCCTPXFKCZ-UHFFFAOYSA-N 0 3 296.374 2.253 20 30 CEEDHN C=CCCCC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000370065915 267288342 /nfs/dbraw/zinc/28/83/42/267288342.db2.gz PSFFUBLIANVQQV-OWCLPIDISA-N 0 3 294.439 2.348 20 30 CEEDHN CN(C)[C@H](CNC(=O)c1ccc(C#N)o1)Cc1ccccc1 ZINC000429938326 267288402 /nfs/dbraw/zinc/28/84/02/267288402.db2.gz DEEZKXQZTOICRZ-AWEZNQCLSA-N 0 3 297.358 2.054 20 30 CEEDHN CN1CCCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000443403398 267334574 /nfs/dbraw/zinc/33/45/74/267334574.db2.gz AVZRHUYTYMJMSS-UHFFFAOYSA-N 0 3 284.285 2.114 20 30 CEEDHN COC(=O)C(C)(C)CNCc1ccc(C#N)c(C)c1 ZINC000440616053 267355142 /nfs/dbraw/zinc/35/51/42/267355142.db2.gz RLTZVDGDQRWPHI-UHFFFAOYSA-N 0 3 260.337 2.156 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NCc1ccc2c(c1)CNC2 ZINC000418135225 267359358 /nfs/dbraw/zinc/35/93/58/267359358.db2.gz ADELTJPDLNAOOX-OAHLLOKOSA-N 0 3 273.380 2.444 20 30 CEEDHN COC(=O)C[C@@H]1CC[C@@H](NCC2(C#N)CCC2)[C@H]1C ZINC000418145483 267366509 /nfs/dbraw/zinc/36/65/09/267366509.db2.gz YFPPJYDRRJMBQO-RWMBFGLXSA-N 0 3 264.369 2.248 20 30 CEEDHN C#CCCN1CCC(C(=O)Nc2cc(C)ccn2)CC1 ZINC000371197758 267368603 /nfs/dbraw/zinc/36/86/03/267368603.db2.gz YJUBZPKQJDMMCA-UHFFFAOYSA-N 0 3 271.364 2.064 20 30 CEEDHN C#C[C@H](C)NC(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000376909001 268028296 /nfs/dbraw/zinc/02/82/96/268028296.db2.gz AMPKMWUJEDEZDC-OUCADQQQSA-N 0 3 291.420 2.062 20 30 CEEDHN Cn1cc(C[C@@H]2CCN(Cc3ccc(C#N)cc3)C2)cn1 ZINC000531104508 268128214 /nfs/dbraw/zinc/12/82/14/268128214.db2.gz GALSQBVRFFZAEW-INIZCTEOSA-N 0 3 280.375 2.356 20 30 CEEDHN N#Cc1ccc(CNCCCNC(=O)C2CCC2)cc1F ZINC000421363228 268232439 /nfs/dbraw/zinc/23/24/39/268232439.db2.gz LCWCMBVVSCVMIT-UHFFFAOYSA-N 0 3 289.354 2.093 20 30 CEEDHN N#Cc1ncccc1NC[C@H]1CCN1C1CCCC1 ZINC000528206791 268323873 /nfs/dbraw/zinc/32/38/73/268323873.db2.gz FMJUSTCQFMKFCM-CYBMUJFWSA-N 0 3 256.353 2.382 20 30 CEEDHN COc1ccc(CN2C[C@@H](C)C[C@H](CO)C2)cc1C#N ZINC000398683129 270361336 /nfs/dbraw/zinc/36/13/36/270361336.db2.gz ZAIQOIQLIJBCDE-JSGCOSHPSA-N 0 3 274.364 2.017 20 30 CEEDHN COc1ccc2c(c1)C[C@@H](N[C@@H]1CC[C@H](C#N)C1)CO2 ZINC000333465866 274126043 /nfs/dbraw/zinc/12/60/43/274126043.db2.gz HJTHCBPRITVAGV-IACUBPJLSA-N 0 3 272.348 2.281 20 30 CEEDHN C[C@@H](Cn1cccn1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353266948 274233056 /nfs/dbraw/zinc/23/30/56/274233056.db2.gz JZBMYVWDCFFEGO-BLLLJJGKSA-N 0 3 266.348 2.420 20 30 CEEDHN N#Cc1cc(F)ccc1N1CC[C@H](N2CC=CC2)C1 ZINC000266191150 274919824 /nfs/dbraw/zinc/91/98/24/274919824.db2.gz BOBSAJPQLXTTOA-AWEZNQCLSA-N 0 3 257.312 2.148 20 30 CEEDHN N#Cc1ccc(CNC[C@@]2(O)CCc3ccccc32)o1 ZINC000305227475 274922868 /nfs/dbraw/zinc/92/28/68/274922868.db2.gz PHZATYOIIXWQAI-INIZCTEOSA-N 0 3 268.316 2.075 20 30 CEEDHN C#CCCCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000192043325 275379180 /nfs/dbraw/zinc/37/91/80/275379180.db2.gz SDLVRAYUGHTXNI-HNNXBMFYSA-N 0 3 258.365 2.209 20 30 CEEDHN CC[C@@H](NCc1ccc(C#N)cc1)[C@@H](O)C(F)F ZINC000295096115 276437564 /nfs/dbraw/zinc/43/75/64/276437564.db2.gz SBHBRUDSVFYTHT-VXGBXAGGSA-N 0 3 254.280 2.052 20 30 CEEDHN CN(C)c1ncccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000192666490 276905375 /nfs/dbraw/zinc/90/53/75/276905375.db2.gz JLDQXEBCVKHBTD-GXTWGEPZSA-N 0 3 258.369 2.320 20 30 CEEDHN COC(=O)[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000265537511 277092332 /nfs/dbraw/zinc/09/23/32/277092332.db2.gz QSWPDMADHWHBAO-BXUZGUMPSA-N 0 3 258.321 2.114 20 30 CEEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000346272116 277909475 /nfs/dbraw/zinc/90/94/75/277909475.db2.gz CBIFNVFSOQEQPE-DOTOQJQBSA-N 0 3 290.407 2.041 20 30 CEEDHN CC(C#N)C(=O)N1CCc2c(F)ccc(F)c2C1 ZINC000336544074 278132554 /nfs/dbraw/zinc/13/25/54/278132554.db2.gz VYTXMQNOAXOQQQ-MRVPVSSYSA-N 0 3 250.248 2.009 20 30 CEEDHN CS[C@H]1CN(c2ccc(C#N)cc2F)C[C@@H]1N(C)C ZINC000271608359 278167874 /nfs/dbraw/zinc/16/78/74/278167874.db2.gz JQYDZFAAEDVAMQ-KBPBESRZSA-N 0 3 279.384 2.179 20 30 CEEDHN C[C@@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc(C#N)cc1 ZINC000344301224 278352119 /nfs/dbraw/zinc/35/21/19/278352119.db2.gz RMVOCUGSVAUCOU-CXAGYDPISA-N 0 3 285.391 2.072 20 30 CEEDHN C[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)c1ncon1 ZINC000329238091 279180839 /nfs/dbraw/zinc/18/08/39/279180839.db2.gz KWRLQPNASXZRST-CMPLNLGQSA-N 0 3 278.356 2.494 20 30 CEEDHN C[C@H](CC[S@@](C)=O)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353261966 279270800 /nfs/dbraw/zinc/27/08/00/279270800.db2.gz DFPDSGICCOUONF-PRIMNGNOSA-N 0 3 276.405 2.292 20 30 CEEDHN N#Cc1ccc(CNCc2ccc(CO)c(F)c2)cc1 ZINC000140283429 280074232 /nfs/dbraw/zinc/07/42/32/280074232.db2.gz XWKFAFUMHVFOSF-UHFFFAOYSA-N 0 3 270.307 2.479 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CCN(C)CC[C@H]1C ZINC000336611410 280315425 /nfs/dbraw/zinc/31/54/25/280315425.db2.gz BDDYXWPVAIUUNF-CYBMUJFWSA-N 0 3 271.364 2.033 20 30 CEEDHN C[C@H](C1CC1)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000158051885 289227339 /nfs/dbraw/zinc/22/73/39/289227339.db2.gz BWILLXZFKRPYDM-LLVKDONJSA-N 0 3 254.337 2.436 20 30 CEEDHN CC(C#N)C(=O)N1CCc2sc(Cl)cc2C1 ZINC000335510157 289235527 /nfs/dbraw/zinc/23/55/27/289235527.db2.gz CWMTXCPNYVMUKG-SSDOTTSWSA-N 0 3 254.742 2.446 20 30 CEEDHN C[C@H](N[C@H](CO)C[C@H](O)C(C)(C)C)c1ccc(C#N)cc1 ZINC000284578725 290036685 /nfs/dbraw/zinc/03/66/85/290036685.db2.gz ZCQXELJEPDHWHT-RCBQFDQVSA-N 0 3 290.407 2.367 20 30 CEEDHN Cc1n[nH]c(C)c1CNCc1ccc(CC#N)cc1 ZINC000581429112 327785047 /nfs/dbraw/zinc/78/50/47/327785047.db2.gz WXENOAPXFGJBFL-UHFFFAOYSA-N 0 3 254.337 2.382 20 30 CEEDHN CCCC1(CNCc2cnc3c(C#N)cnn3c2)CC1 ZINC000567888678 313915881 /nfs/dbraw/zinc/91/58/81/313915881.db2.gz NMXVWMCTMWFFOC-UHFFFAOYSA-N 0 3 269.352 2.271 20 30 CEEDHN N#C[C@H]1CCC[C@@H](NCc2cccnc2-n2cccn2)C1 ZINC000185819518 327846456 /nfs/dbraw/zinc/84/64/56/327846456.db2.gz BNUSVSPIYUTDEL-DZGCQCFKSA-N 0 3 281.363 2.439 20 30 CEEDHN CC(C)[C@@H](CO)[C@H](NCc1ccc(C#N)cn1)C(C)C ZINC000579137459 314555128 /nfs/dbraw/zinc/55/51/28/314555128.db2.gz CQJJQFIQELRLSC-HZPDHXFCSA-N 0 3 275.396 2.332 20 30 CEEDHN N#CCCC1CCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000571287084 328098007 /nfs/dbraw/zinc/09/80/07/328098007.db2.gz VXLBPGUJAASRRF-INIZCTEOSA-N 0 3 289.423 2.403 20 30 CEEDHN O[C@@H]1CC[C@@H]2CN(CC#Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000412053091 328101487 /nfs/dbraw/zinc/10/14/87/328101487.db2.gz YYKVMOOITUBMII-HLLBOEOZSA-N 0 3 273.351 2.270 20 30 CEEDHN COC(=O)[C@@]1(C)CCCN(CCC(C)(C)C#N)C1 ZINC000412065927 328103722 /nfs/dbraw/zinc/10/37/22/328103722.db2.gz LGKAEDQAZUPWBE-AWEZNQCLSA-N 0 3 252.358 2.201 20 30 CEEDHN COc1ccc(CN(C)C(=O)C(C)C#N)cc1Cl ZINC000412798540 328126450 /nfs/dbraw/zinc/12/64/50/328126450.db2.gz QRBMKJPQGVSHHJ-VIFPVBQESA-N 0 3 266.728 2.467 20 30 CEEDHN CCCN(CC#N)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000413199268 328142433 /nfs/dbraw/zinc/14/24/33/328142433.db2.gz IQBCUZWNWRBOSU-FRRDWIJNSA-N 0 3 251.374 2.010 20 30 CEEDHN CCCNC(=[NH2+])NCc1c([O-])ccc2c1CCCC2 ZINC000267398194 328178134 /nfs/dbraw/zinc/17/81/34/328178134.db2.gz FLDIFKKGDBZNPN-UHFFFAOYSA-N 0 3 261.369 2.085 20 30 CEEDHN C[C@@H](NCCCC#N)c1ccc2c(c1)CC(=O)N2C ZINC000271862683 328198388 /nfs/dbraw/zinc/19/83/88/328198388.db2.gz UJJSIGPBXIVJAH-LLVKDONJSA-N 0 3 257.337 2.160 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)CCCC#N)CN1Cc1ccccc1 ZINC000291926713 328267286 /nfs/dbraw/zinc/26/72/86/328267286.db2.gz NXUSAZUKFSLDFC-ZBFHGGJFSA-N 0 3 285.391 2.459 20 30 CEEDHN C[C@H](CS(C)(=O)=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000340444228 328278326 /nfs/dbraw/zinc/27/83/26/328278326.db2.gz HCXOPLFDTVUJLH-HIFRSBDPSA-N 0 3 294.420 2.444 20 30 CEEDHN COc1cc(CN[C@@H](C)[C@@H](OC)C2CC2)ccc1C#N ZINC000388336064 321884634 /nfs/dbraw/zinc/88/46/34/321884634.db2.gz HKMBMRWAMMUHQL-MEDUHNTESA-N 0 3 274.364 2.470 20 30 CEEDHN C#CC[C@@H](NCCN1CCO[C@H](C)C1)c1ccccc1 ZINC000283456988 328513958 /nfs/dbraw/zinc/51/39/58/328513958.db2.gz YMUMFFQBRZCWJO-NVXWUHKLSA-N 0 3 272.392 2.061 20 30 CEEDHN C#Cc1ccccc1CC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000289990025 328528075 /nfs/dbraw/zinc/52/80/75/328528075.db2.gz YJCPDRQWCWFPSY-MRXNPFEDSA-N 0 3 298.430 2.447 20 30 CEEDHN C#CCOc1ccccc1CN[C@H](C)C(C)(C)n1cncn1 ZINC000290739214 328531386 /nfs/dbraw/zinc/53/13/86/328531386.db2.gz PYACOTQIDSYPBL-CQSZACIVSA-N 0 3 298.390 2.204 20 30 CEEDHN C[C@H](c1ccccc1)[C@H](O)CNCC1(CC#N)CC1 ZINC000566124060 327142275 /nfs/dbraw/zinc/14/22/75/327142275.db2.gz GXYKWPKXOPLPBA-UKRRQHHQSA-N 0 3 258.365 2.434 20 30 CEEDHN C[C@@H](c1ccccc1)[C@H](O)CNCC1(CC#N)CC1 ZINC000566124054 327142279 /nfs/dbraw/zinc/14/22/79/327142279.db2.gz GXYKWPKXOPLPBA-DZGCQCFKSA-N 0 3 258.365 2.434 20 30 CEEDHN C[C@@H](NCC(=O)NCC#N)c1cccc2ccccc21 ZINC000181665029 327212418 /nfs/dbraw/zinc/21/24/18/327212418.db2.gz AWLWITNALMFMSC-GFCCVEGCSA-N 0 3 267.332 2.130 20 30 CEEDHN C=CC[C@@H](CO)CNCc1cncc(Br)c1 ZINC000309599206 327213212 /nfs/dbraw/zinc/21/32/12/327213212.db2.gz VXDKLOSOVMWSKR-SNVBAGLBSA-N 0 3 285.185 2.118 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccc3n[nH]cc3c2)CC1 ZINC000531074359 327239665 /nfs/dbraw/zinc/23/96/65/327239665.db2.gz SJUYPOLUNWNFHD-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CCC2(C)C)CC1 ZINC000531108493 327249249 /nfs/dbraw/zinc/24/92/49/327249249.db2.gz KGXHITOIIJMICF-UHFFFAOYSA-N 0 3 265.401 2.221 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CSC[C@@H]1C ZINC000507246589 332800328 /nfs/dbraw/zinc/80/03/28/332800328.db2.gz JPCUOJPGPXCESG-RWMBFGLXSA-N 0 3 270.442 2.141 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccccc1-n1ccnn1 ZINC000583547347 328606725 /nfs/dbraw/zinc/60/67/25/328606725.db2.gz HAANFSPOQSCWSP-BJJXKVORSA-N 0 3 284.363 2.261 20 30 CEEDHN C=CCN(C(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC000357960530 328880492 /nfs/dbraw/zinc/88/04/92/328880492.db2.gz HEPBNFSERGSZEU-CYBMUJFWSA-N 0 3 250.386 2.428 20 30 CEEDHN C=CCSCCNC(=O)c1ccccc1CN(C)C ZINC000362700635 328929291 /nfs/dbraw/zinc/92/92/91/328929291.db2.gz UWYHRJLYITXDOA-UHFFFAOYSA-N 0 3 278.421 2.397 20 30 CEEDHN C=CCCCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375387719 329003124 /nfs/dbraw/zinc/00/31/24/329003124.db2.gz BJIQJXVYMUQXGM-LBPRGKRZSA-N 0 3 264.329 2.394 20 30 CEEDHN C=C(CNC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1)c1ccccc1 ZINC000377005630 329009128 /nfs/dbraw/zinc/00/91/28/329009128.db2.gz MUIKQGGXLVTBAW-IAGOWNOFSA-N 0 3 299.418 2.435 20 30 CEEDHN CCCN1CCCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000378270231 329044707 /nfs/dbraw/zinc/04/47/07/329044707.db2.gz FEINEFKYKJWZBF-UHFFFAOYSA-N 0 3 285.391 2.311 20 30 CEEDHN C=C(C)[C@H](CC(=O)N1CCCC12CCN(C)CC2)OCC ZINC000378332789 329046421 /nfs/dbraw/zinc/04/64/21/329046421.db2.gz CKWQNDRFMXCAKB-HNNXBMFYSA-N 0 3 294.439 2.445 20 30 CEEDHN CCCN(CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000171681611 329078228 /nfs/dbraw/zinc/07/82/28/329078228.db2.gz ODQWOEOUIQXLRF-UHFFFAOYSA-N 0 3 263.385 2.203 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccccc2COC)CC1 ZINC000171719083 329079189 /nfs/dbraw/zinc/07/91/89/329079189.db2.gz QEKRXLBRWPXAGH-UHFFFAOYSA-N 0 3 288.391 2.213 20 30 CEEDHN C[C@]1(O)CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000180189029 329218209 /nfs/dbraw/zinc/21/82/09/329218209.db2.gz WZMPOOSPSCGQJR-INIZCTEOSA-N 0 3 274.364 2.326 20 30 CEEDHN C=C(C)CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000181243472 329227188 /nfs/dbraw/zinc/22/71/88/329227188.db2.gz UAHPSIDJZPLIRB-UHFFFAOYSA-N 0 3 250.298 2.482 20 30 CEEDHN C=C(C)CN(C)C[C@@H](O)COCc1ccccc1F ZINC000181287623 329229549 /nfs/dbraw/zinc/22/95/49/329229549.db2.gz LHVDATWWUGJEFU-CQSZACIVSA-N 0 3 267.344 2.211 20 30 CEEDHN C=C(C)CN(C)CCOc1ccccc1C(=O)OC ZINC000182462434 329239837 /nfs/dbraw/zinc/23/98/37/329239837.db2.gz HTQYMPCQUVAWIY-UHFFFAOYSA-N 0 3 263.337 2.360 20 30 CEEDHN C=CCC[C@@H](CO)NCc1csc([N+](=O)[O-])c1 ZINC000321448588 329356851 /nfs/dbraw/zinc/35/68/51/329356851.db2.gz NPXWESHBWKOJES-JTQLQIEISA-N 0 3 256.327 2.073 20 30 CEEDHN C=CCCC1(C(=O)NC[C@@H](C)N2CCCC2)CC1 ZINC000530368740 329363217 /nfs/dbraw/zinc/36/32/17/329363217.db2.gz HULDITIARQLSRD-CYBMUJFWSA-N 0 3 250.386 2.333 20 30 CEEDHN C=CC(C)(C)CN[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000419227838 329712523 /nfs/dbraw/zinc/71/25/23/329712523.db2.gz LIUTYBMCUPHTDH-ZDUSSCGKSA-N 0 3 264.344 2.024 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)COC)C(C)C ZINC000264087496 330060994 /nfs/dbraw/zinc/06/09/94/330060994.db2.gz FFNYFGQUCDGEPZ-CABCVRRESA-N 0 3 282.428 2.084 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000421772384 330074871 /nfs/dbraw/zinc/07/48/71/330074871.db2.gz ZEEJDXNSRPCBSM-MGPQQGTHSA-N 0 3 262.397 2.189 20 30 CEEDHN C=CCN(CCc1ccco1)C(=O)NC[C@H]1CCCN1C ZINC000272487575 330086059 /nfs/dbraw/zinc/08/60/59/330086059.db2.gz SPUBADDRGUXDJL-CQSZACIVSA-N 0 3 291.395 2.114 20 30 CEEDHN C=C(CN[C@@H](C1CC1)[C@H]1CNCCO1)c1ccccc1 ZINC000423025122 330165951 /nfs/dbraw/zinc/16/59/51/330165951.db2.gz KQUPECHIFASLCG-SJORKVTESA-N 0 3 272.392 2.056 20 30 CEEDHN CN(Cc1cccc(Cl)c1)C(=O)[C@H](N)CCCC#N ZINC000424079706 330221922 /nfs/dbraw/zinc/22/19/22/330221922.db2.gz RQDPHSHWTSKDAS-CYBMUJFWSA-N 0 3 279.771 2.320 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000424091145 330225269 /nfs/dbraw/zinc/22/52/69/330225269.db2.gz NKLYNMKRAAYIDC-HOTGVXAUSA-N 0 3 285.391 2.099 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(Cl)s1 ZINC000424094566 330226616 /nfs/dbraw/zinc/22/66/16/330226616.db2.gz LWNNKKVRJDKGRB-VIFPVBQESA-N 0 3 271.773 2.039 20 30 CEEDHN CCOc1cc(C)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000424096563 330227430 /nfs/dbraw/zinc/22/74/30/330227430.db2.gz YHGDJQGHPOYZJQ-LBPRGKRZSA-N 0 3 275.352 2.353 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)[C@@H](N)CCCC#N ZINC000424097484 330227718 /nfs/dbraw/zinc/22/77/18/330227718.db2.gz FHEAJBHPUJNBBQ-HNNXBMFYSA-N 0 3 289.354 2.361 20 30 CEEDHN CCn1ncc2ccc(NC(=O)[C@H](N)CCCC#N)cc21 ZINC000424104219 330233816 /nfs/dbraw/zinc/23/38/16/330233816.db2.gz GPGGQNROSMHISD-CYBMUJFWSA-N 0 3 285.351 2.016 20 30 CEEDHN CCC[C@H]1CCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424125836 330258919 /nfs/dbraw/zinc/25/89/19/330258919.db2.gz OIJJNRNSTGWCOQ-STQMWFEESA-N 0 3 251.374 2.046 20 30 CEEDHN CN(CCC1CCCCC1)C(=O)[C@H](N)CCCC#N ZINC000424112387 330240261 /nfs/dbraw/zinc/24/02/61/330240261.db2.gz JLWSHQYNOCCSGD-CQSZACIVSA-N 0 3 265.401 2.436 20 30 CEEDHN CC1CCC(C)(NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424113852 330242336 /nfs/dbraw/zinc/24/23/36/330242336.db2.gz ORUZXWDJXFNPBM-LXVYMNJGSA-N 0 3 251.374 2.093 20 30 CEEDHN Cc1cccc(C(C)(C)CNC(=O)[C@@H](N)CCCC#N)c1 ZINC000424115904 330243335 /nfs/dbraw/zinc/24/33/35/330243335.db2.gz WQYZZYWJRHORKQ-HNNXBMFYSA-N 0 3 287.407 2.410 20 30 CEEDHN CCCC[C@H](NC(=O)[C@@H](N)CCCC#N)C1CCC1 ZINC000424115676 330243569 /nfs/dbraw/zinc/24/35/69/330243569.db2.gz AWBNEHRHBASHIB-KBPBESRZSA-N 0 3 265.401 2.483 20 30 CEEDHN CC(C)(CNC(=O)[C@@H](N)CCCC#N)c1cccc(F)c1 ZINC000424132288 330264225 /nfs/dbraw/zinc/26/42/25/330264225.db2.gz WDYRRXHDVJKCGQ-AWEZNQCLSA-N 0 3 291.370 2.241 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000424135906 330270728 /nfs/dbraw/zinc/27/07/28/330270728.db2.gz ZZLHJTAOLNWDSD-RQJABVFESA-N 0 3 263.385 2.093 20 30 CEEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H](N)CCCC#N ZINC000424148251 330295032 /nfs/dbraw/zinc/29/50/32/330295032.db2.gz ZRIKNWSHLPGZQK-RQJABVFESA-N 0 3 263.385 2.187 20 30 CEEDHN Cc1cccnc1[C@@H](NC(=O)[C@H](N)CCCC#N)C(C)C ZINC000424150934 330296985 /nfs/dbraw/zinc/29/69/85/330296985.db2.gz ZYOBKYCZDVUWOY-KGLIPLIRSA-N 0 3 288.395 2.225 20 30 CEEDHN C=CCn1cc(CN[C@@H](C)Cc2ccc(F)cc2)nn1 ZINC000424168471 330310163 /nfs/dbraw/zinc/31/01/63/330310163.db2.gz FXARVVBLTICQIN-LBPRGKRZSA-N 0 3 274.343 2.324 20 30 CEEDHN CN(Cc1ccc(Cl)c(F)c1)C(=O)[C@H](N)CCCC#N ZINC000424169935 330312043 /nfs/dbraw/zinc/31/20/43/330312043.db2.gz KJPPZDPPIMYCMI-CYBMUJFWSA-N 0 3 297.761 2.459 20 30 CEEDHN C=CCC1(C(=O)N[C@H](C)CN2CCCCC2)CCOCC1 ZINC000424580363 330386879 /nfs/dbraw/zinc/38/68/79/330386879.db2.gz CPRKFZQLWASYBT-OAHLLOKOSA-N 0 3 294.439 2.350 20 30 CEEDHN Cn1ncc2c1CCC[C@@H]2N[C@H]1CCC[C@H](C#N)C1 ZINC000447539648 330868998 /nfs/dbraw/zinc/86/89/98/330868998.db2.gz HMMXBXLIFUNOAZ-OBJOEFQTSA-N 0 3 258.369 2.469 20 30 CEEDHN C=C(C)CNC(=O)NCc1cccc(CN(C)C)c1 ZINC000162403326 330910768 /nfs/dbraw/zinc/91/07/68/330910768.db2.gz ZPIPTTYNCKWMFQ-UHFFFAOYSA-N 0 3 261.369 2.124 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1C[C@](C)(OC)C1(C)C ZINC000451484673 331031262 /nfs/dbraw/zinc/03/12/62/331031262.db2.gz HIRXVQIPXNTHJM-CJNGLKHVSA-N 0 3 282.428 2.204 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451678300 331038772 /nfs/dbraw/zinc/03/87/72/331038772.db2.gz DXDBVRYYDWNYTF-OCCSQVGLSA-N 0 3 292.335 2.427 20 30 CEEDHN COC(=O)[C@H]1CN(CCCC#N)C[C@@H]1c1ccccc1 ZINC000451995175 331049640 /nfs/dbraw/zinc/04/96/40/331049640.db2.gz NBIUZAGUXAGWAN-CABCVRRESA-N 0 3 272.348 2.179 20 30 CEEDHN CCN(CCC#N)C(=O)CN1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452045564 331052009 /nfs/dbraw/zinc/05/20/09/331052009.db2.gz LGHLBIQBXMXTHI-JYYAWHABSA-N 0 3 289.423 2.117 20 30 CEEDHN C=CCCCN1CCN(c2ccc(OC)cn2)CC1 ZINC000452059715 331052457 /nfs/dbraw/zinc/05/24/57/331052457.db2.gz PAXUITLRWRUQCX-UHFFFAOYSA-N 0 3 261.369 2.178 20 30 CEEDHN Cc1cccc([C@@H](C)NCC(=O)NC2(C#N)CCC2)c1 ZINC000452098658 331054031 /nfs/dbraw/zinc/05/40/31/331054031.db2.gz ZRXIPEZGBVPLNU-CYBMUJFWSA-N 0 3 271.364 2.208 20 30 CEEDHN N#CC[C@@H]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC000452557696 331068759 /nfs/dbraw/zinc/06/87/59/331068759.db2.gz QVLRLYLJXLYFMG-AEGPPILISA-N 0 3 275.396 2.059 20 30 CEEDHN C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)C(=O)NCCc1ccccc1 ZINC000453408811 331129535 /nfs/dbraw/zinc/12/95/35/331129535.db2.gz NTKHPQZOQKBLSN-FVQBIDKESA-N 0 3 285.391 2.016 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@H]2F)CC1 ZINC000454460382 331146737 /nfs/dbraw/zinc/14/67/37/331146737.db2.gz IKYIXHWHMWZJOA-KGLIPLIRSA-N 0 3 283.391 2.217 20 30 CEEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)NCCCCC#N ZINC000454466732 331146803 /nfs/dbraw/zinc/14/68/03/331146803.db2.gz YGZAWAONWYELNE-HNNXBMFYSA-N 0 3 294.443 2.490 20 30 CEEDHN C=C(C)CCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000454864951 331155181 /nfs/dbraw/zinc/15/51/81/331155181.db2.gz RJXSBQZTZPQBDB-CQSZACIVSA-N 0 3 265.401 2.269 20 30 CEEDHN CC1(C)CCCN1CCNC(=O)c1cccc(CC#N)c1 ZINC000457081477 331211712 /nfs/dbraw/zinc/21/17/12/331211712.db2.gz VTTZQFATAXBFRS-UHFFFAOYSA-N 0 3 285.391 2.357 20 30 CEEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](N)C(C)C ZINC000457382378 331220512 /nfs/dbraw/zinc/22/05/12/331220512.db2.gz RQTDATMFEREBDD-LBPRGKRZSA-N 0 3 252.383 2.246 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000457617191 331229163 /nfs/dbraw/zinc/22/91/63/331229163.db2.gz ZGWGJLMRQPTEKC-QKPAOTATSA-N 0 3 294.439 2.299 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)CC#CC)C(C)C ZINC000457749934 331233266 /nfs/dbraw/zinc/23/32/66/331233266.db2.gz OGGNSYNTMUOTHC-INIZCTEOSA-N 0 3 291.439 2.350 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000458335365 331249358 /nfs/dbraw/zinc/24/93/58/331249358.db2.gz OMIFTINFTARWAQ-SNPRPXQTSA-N 0 3 277.412 2.125 20 30 CEEDHN C=CCCCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458740964 331258764 /nfs/dbraw/zinc/25/87/64/331258764.db2.gz YZMJYMYVEJYEGK-HNNXBMFYSA-N 0 3 265.401 2.080 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000458807847 331260466 /nfs/dbraw/zinc/26/04/66/331260466.db2.gz GVFAHRBOIZHQAS-ZDUSSCGKSA-N 0 3 267.417 2.324 20 30 CEEDHN CC(C)(CC#N)CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000459254728 331273310 /nfs/dbraw/zinc/27/33/10/331273310.db2.gz FYRPVHGKVBPLIO-CQSZACIVSA-N 0 3 292.427 2.196 20 30 CEEDHN C=CCC[C@H](CCC)N[C@H](CO)c1ccnn1C ZINC000459702000 331295114 /nfs/dbraw/zinc/29/51/14/331295114.db2.gz FOLUPLFIQXFSCW-QWHCGFSZSA-N 0 3 251.374 2.178 20 30 CEEDHN C=CCCCCCN1CCN(Cc2nccn2C)CC1 ZINC000487884367 331982945 /nfs/dbraw/zinc/98/29/45/331982945.db2.gz FDBZWCSUKLTIPF-UHFFFAOYSA-N 0 3 276.428 2.284 20 30 CEEDHN C=CCCCS(=O)(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000489134495 332042123 /nfs/dbraw/zinc/04/21/23/332042123.db2.gz UYJUZAFOYYAFIE-UONOGXRCSA-N 0 3 288.457 2.135 20 30 CEEDHN C=CCCCS(=O)(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000489293805 332045736 /nfs/dbraw/zinc/04/57/36/332045736.db2.gz OPEPPRBMTZYTAT-ZIAGYGMSSA-N 0 3 288.457 2.135 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc(SC)nc2)CC1 ZINC000490606129 332094976 /nfs/dbraw/zinc/09/49/76/332094976.db2.gz VKNISINNVIYWEM-UHFFFAOYSA-N 0 3 289.404 2.087 20 30 CEEDHN C#CCN(C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)C1CCCC1 ZINC000490802783 332116563 /nfs/dbraw/zinc/11/65/63/332116563.db2.gz FNTXBGHKDIALQA-UONOGXRCSA-N 0 3 277.412 2.057 20 30 CEEDHN C#C[C@@H](C)N(C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000491045817 332142754 /nfs/dbraw/zinc/14/27/54/332142754.db2.gz NCGWPKVLANMUNP-HUUCEWRRSA-N 0 3 270.376 2.102 20 30 CEEDHN C#CCNC(=O)C1CCN(C/C=C/c2ccccc2)CC1 ZINC000491069613 332145726 /nfs/dbraw/zinc/14/57/26/332145726.db2.gz XHYKVTOBONHXDP-RMKNXTFCSA-N 0 3 282.387 2.161 20 30 CEEDHN C#CCNC(=O)C1CCN(Cc2ccsc2C)CC1 ZINC000491127009 332154277 /nfs/dbraw/zinc/15/42/77/332154277.db2.gz VEOCBWDTFIIDCU-UHFFFAOYSA-N 0 3 276.405 2.018 20 30 CEEDHN C#CCN1CCC(C(=O)NC(C2CCC2)C2CCC2)CC1 ZINC000491126855 332154410 /nfs/dbraw/zinc/15/44/10/332154410.db2.gz SWUAAMHDXBPMKO-UHFFFAOYSA-N 0 3 288.435 2.417 20 30 CEEDHN C#C[C@H](CC)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000491439680 332211554 /nfs/dbraw/zinc/21/15/54/332211554.db2.gz KXQOVZFORWTJJS-HIFRSBDPSA-N 0 3 262.397 2.312 20 30 CEEDHN C#C[C@@H](NC(=O)CCN1CCc2ccccc2C1)C(C)C ZINC000491440748 332212272 /nfs/dbraw/zinc/21/22/72/332212272.db2.gz RCWUSQOPAVCKMD-QGZVFWFLSA-N 0 3 284.403 2.209 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](CCC)C(C)C ZINC000491463515 332216537 /nfs/dbraw/zinc/21/65/37/332216537.db2.gz NOBSPUDDYSICCD-AWEZNQCLSA-N 0 3 252.402 2.130 20 30 CEEDHN C#CCN(Cc1cccc(-n2cccn2)c1)C1CC1 ZINC000491483599 332219473 /nfs/dbraw/zinc/21/94/73/332219473.db2.gz COZFLIBOZPZLSR-UHFFFAOYSA-N 0 3 251.333 2.470 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)[C@H](C)CCSCC ZINC000491494445 332221984 /nfs/dbraw/zinc/22/19/84/332221984.db2.gz CMAXJRSMTDALLN-CQSZACIVSA-N 0 3 299.484 2.115 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@]2(C)CCCC[C@@H]2C)CC1 ZINC000491535836 332231685 /nfs/dbraw/zinc/23/16/85/332231685.db2.gz GAWCXUZWTZUIOM-YOEHRIQHSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCN(C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000491634181 332255735 /nfs/dbraw/zinc/25/57/35/332255735.db2.gz JKPZEPZJMFAQTR-UHFFFAOYSA-N 0 3 270.376 2.378 20 30 CEEDHN C#C[C@H](NCc1cnc2n[nH]c(C)c2c1)C(C)(C)C ZINC000491668951 332276602 /nfs/dbraw/zinc/27/66/02/332276602.db2.gz KJHCQLAUZQIRFI-ZDUSSCGKSA-N 0 3 256.353 2.404 20 30 CEEDHN C#C[C@H](C)N(C)Cc1ccc(OCc2nccn2C)cc1 ZINC000491672679 332279348 /nfs/dbraw/zinc/27/93/48/332279348.db2.gz UNAJFXOTPXMKTI-AWEZNQCLSA-N 0 3 283.375 2.453 20 30 CEEDHN C#C[C@H](C)N(C)C[C@@H](O)COc1ccc(SC)cc1 ZINC000491696873 332292059 /nfs/dbraw/zinc/29/20/59/332292059.db2.gz KCDICVYWLGYCOU-QWHCGFSZSA-N 0 3 279.405 2.102 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H]1CCC[C@@H]1CCC ZINC000491707096 332299845 /nfs/dbraw/zinc/29/98/45/332299845.db2.gz RNJOVKCFMLJWHF-GJZGRUSLSA-N 0 3 264.413 2.274 20 30 CEEDHN C#CCN(C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000491710448 332302150 /nfs/dbraw/zinc/30/21/50/332302150.db2.gz SLVYJTLZXYWELL-OAHLLOKOSA-N 0 3 299.418 2.487 20 30 CEEDHN C#CCN(Cc1cccc(CN2CCOCC2)c1)C1CC1 ZINC000491770560 332337467 /nfs/dbraw/zinc/33/74/67/332337467.db2.gz QFYKULNIJZFFNT-UHFFFAOYSA-N 0 3 284.403 2.116 20 30 CEEDHN C#CCN1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000491772313 332338544 /nfs/dbraw/zinc/33/85/44/332338544.db2.gz QIHXDPRQKSEJAA-STQMWFEESA-N 0 3 266.385 2.102 20 30 CEEDHN C#C[C@@H](CC)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000491785845 332348557 /nfs/dbraw/zinc/34/85/57/332348557.db2.gz RXNZYIHHEPZXGM-LSDHHAIUSA-N 0 3 273.380 2.000 20 30 CEEDHN C#CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491794950 332354324 /nfs/dbraw/zinc/35/43/24/332354324.db2.gz UAZDGBKTQJCKRN-UHFFFAOYSA-N 0 3 287.319 2.021 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000491808091 332361241 /nfs/dbraw/zinc/36/12/41/332361241.db2.gz VFQAUCRZXCRFOD-ZMSDIMECSA-N 0 3 299.418 2.485 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC000491813844 332365541 /nfs/dbraw/zinc/36/55/41/332365541.db2.gz QXTRSOPUVMKKEF-LBPRGKRZSA-N 0 3 294.345 2.140 20 30 CEEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCN(C(=O)OC)C1 ZINC000496036044 332536801 /nfs/dbraw/zinc/53/68/01/332536801.db2.gz LUSXMAINKGJCAF-QWRGUYRKSA-N 0 3 260.765 2.195 20 30 CEEDHN C[C@H](C#N)CNCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000496133404 332539766 /nfs/dbraw/zinc/53/97/66/332539766.db2.gz LYTLUHUEODAGHC-LLVKDONJSA-N 0 3 267.373 2.041 20 30 CEEDHN C#CCN(C[C@@H](O)COc1ccccc1F)C1CCCC1 ZINC000176920491 333050570 /nfs/dbraw/zinc/05/05/70/333050570.db2.gz UCKRCQFLZBPQGP-OAHLLOKOSA-N 0 3 291.366 2.443 20 30 CEEDHN C[C@H](CCC#N)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000517154221 333093651 /nfs/dbraw/zinc/09/36/51/333093651.db2.gz LRYZIOLBXFKZJM-PWSUYJOCSA-N 0 3 260.341 2.429 20 30 CEEDHN C[C@H](C#N)CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000172804215 335122823 /nfs/dbraw/zinc/12/28/23/335122823.db2.gz MAJKOOUAYNHGMM-LLVKDONJSA-N 0 3 285.347 2.384 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCSC[C@H](C)C1 ZINC000190439596 333207044 /nfs/dbraw/zinc/20/70/44/333207044.db2.gz YBGXJFHJWBNMRY-KGLIPLIRSA-N 0 3 284.469 2.484 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(CC#N)CC1 ZINC000541951783 333803846 /nfs/dbraw/zinc/80/38/46/333803846.db2.gz KQQAGGHKKOVNNA-CQSZACIVSA-N 0 3 275.396 2.201 20 30 CEEDHN N#CC(C(=O)Nc1nc2c(s1)CCCC2)c1ccncn1 ZINC000546045836 334014603 /nfs/dbraw/zinc/01/46/03/334014603.db2.gz YKGFOQCGQQQGOL-VIFPVBQESA-N 0 3 299.359 2.058 20 30 CEEDHN C=C(C)COCCNCc1ccc(-n2cncn2)c(C)c1 ZINC000134507685 334092590 /nfs/dbraw/zinc/09/25/90/334092590.db2.gz ROUDXHXNYLDVBA-UHFFFAOYSA-N 0 3 286.379 2.258 20 30 CEEDHN CN(CC#Cc1ccccc1Cl)CC(C)(C)O ZINC000135082499 334114655 /nfs/dbraw/zinc/11/46/55/334114655.db2.gz XPVUKVLDUKDFJD-UHFFFAOYSA-N 0 3 251.757 2.394 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCC#CC)C(C)C ZINC000136030578 334144578 /nfs/dbraw/zinc/14/45/78/334144578.db2.gz UMAOFTGEUAELBF-HNNXBMFYSA-N 0 3 277.412 2.008 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(C)cc2OC)CC1 ZINC000548364107 334152264 /nfs/dbraw/zinc/15/22/64/334152264.db2.gz OKVBOXYSHALKIR-UHFFFAOYSA-N 0 3 288.391 2.384 20 30 CEEDHN N#CC1(NC(=O)CN2CC[C@H](CC3CC3)C2)CCCCC1 ZINC000550029529 334211806 /nfs/dbraw/zinc/21/18/06/334211806.db2.gz UMEBUFYIIDTMAC-OAHLLOKOSA-N 0 3 289.423 2.451 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCC(OC[C@H]3CCOC3)CC2)C1 ZINC000555417818 334476923 /nfs/dbraw/zinc/47/69/23/334476923.db2.gz OYTQKBSDPMFPNM-QLFBSQMISA-N 0 3 278.396 2.196 20 30 CEEDHN N#CCCOCCN1CCC(C2CCOCC2)CC1 ZINC000555417654 334477677 /nfs/dbraw/zinc/47/76/77/334477677.db2.gz GBCMCCUVNJASBS-UHFFFAOYSA-N 0 3 266.385 2.055 20 30 CEEDHN C=CC[C@H](CO)CNCc1cc(OC)c(OC)cc1F ZINC000568635935 334834046 /nfs/dbraw/zinc/83/40/46/334834046.db2.gz XFDTUZDTCOXWCY-NSHDSACASA-N 0 3 283.343 2.117 20 30 CEEDHN COC[C@H](C)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000573186746 334915566 /nfs/dbraw/zinc/91/55/66/334915566.db2.gz ATIOXYKRUIOAOD-CQSZACIVSA-N 0 3 273.380 2.221 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000179316345 335486960 /nfs/dbraw/zinc/48/69/60/335486960.db2.gz PUCQMTQEFNKNJV-ZIAGYGMSSA-N 0 3 279.428 2.324 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000367530442 335929593 /nfs/dbraw/zinc/92/95/93/335929593.db2.gz DVWWQJOQFMVCSL-GDBMZVCRSA-N 0 3 277.412 2.403 20 30 CEEDHN C=CCSCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000194630652 336034644 /nfs/dbraw/zinc/03/46/44/336034644.db2.gz ASCXMYPMIXLRIF-UHFFFAOYSA-N 0 3 297.468 2.175 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(CC)CCCC1 ZINC000385867524 336158124 /nfs/dbraw/zinc/15/81/24/336158124.db2.gz XZMRGPNWYQETDR-UHFFFAOYSA-N 0 3 250.386 2.028 20 30 CEEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(C#N)cs1 ZINC000084113385 533896664 /nfs/dbraw/zinc/89/66/64/533896664.db2.gz NWAMEDABRUDFNB-JQWIXIFHSA-N 0 3 277.393 2.032 20 30 CEEDHN 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CCNC(=O)C(C)(C)CN[C@@H](C)c1cccc(C#N)c1 ZINC000183205114 521732983 /nfs/dbraw/zinc/73/29/83/521732983.db2.gz AEMYHRRQWGHPEC-LBPRGKRZSA-N 0 3 273.380 2.371 20 30 CEEDHN CN(C[C@H](O)c1ccc(C#N)cc1)C[C@@H]1CCCCO1 ZINC000048947909 523100346 /nfs/dbraw/zinc/10/03/46/523100346.db2.gz PXCVXFNANKXTBQ-HOTGVXAUSA-N 0 3 274.364 2.093 20 30 CEEDHN CC[C@H](C)N1CCN(Cc2ccccc2C#N)CC1 ZINC000055066335 523957019 /nfs/dbraw/zinc/95/70/19/523957019.db2.gz YQQLFZNHAKXHQH-AWEZNQCLSA-N 0 3 257.381 2.474 20 30 CEEDHN C[C@@H](CNC(=O)Nc1cccc(C#N)c1)N(C)C1CC1 ZINC000069223885 524691710 /nfs/dbraw/zinc/69/17/10/524691710.db2.gz GJENYPIDZLMUCA-NSHDSACASA-N 0 3 272.352 2.162 20 30 CEEDHN C[C@H](F)CCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366358290 524806364 /nfs/dbraw/zinc/80/63/64/524806364.db2.gz JTWDIEUBNHSMPB-WCQYABFASA-N 0 3 263.316 2.154 20 30 CEEDHN CC#CC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000294589959 526288179 /nfs/dbraw/zinc/28/81/79/526288179.db2.gz XAGIUZGXMWKLCE-AWEZNQCLSA-N 0 3 276.405 2.151 20 30 CEEDHN 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N#Cc1ccccc1OCCN1CC[C@H]2OCC[C@H]2C1 ZINC000365845800 526746874 /nfs/dbraw/zinc/74/68/74/526746874.db2.gz JSBWXJUEKTVDAE-GOEBONIOSA-N 0 3 272.348 2.048 20 30 CEEDHN CC(=O)NCC[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000347668570 526764530 /nfs/dbraw/zinc/76/45/30/526764530.db2.gz RHAWPIOPFHWLGG-GOSISDBHSA-N 0 3 284.403 2.276 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000366995007 527150455 /nfs/dbraw/zinc/15/04/55/527150455.db2.gz DRVPSEKXYCXCDR-UONOGXRCSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000344324740 527157006 /nfs/dbraw/zinc/15/70/06/527157006.db2.gz HGIOHINLZDCUPO-SGMGOOAPSA-N 0 3 265.401 2.123 20 30 CEEDHN C=CCc1cc(CNC(=O)C(C)C#N)cc(OC)c1OC ZINC000347040903 527240345 /nfs/dbraw/zinc/24/03/45/527240345.db2.gz RYJMGHRPTIYGFW-NSHDSACASA-N 0 3 288.347 2.208 20 30 CEEDHN C=CCn1c(C(C)C)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000350622852 527288673 /nfs/dbraw/zinc/28/86/73/527288673.db2.gz HOBYYXUDQQUOKD-CQSZACIVSA-N 0 3 289.427 2.260 20 30 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/nfs/dbraw/zinc/27/59/44/630275944.db2.gz QATPDGJWQZFJPQ-AWEZNQCLSA-N 0 3 267.417 2.468 20 30 CEEDHN C[C@H](NC[C@@H](O)c1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000902735124 634801221 /nfs/dbraw/zinc/80/12/21/634801221.db2.gz ZXPIFHMAGJSDRU-MEDUHNTESA-N 0 3 285.322 2.477 20 30 CEEDHN C#CCC1(O)CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000895675060 630295456 /nfs/dbraw/zinc/29/54/56/630295456.db2.gz LIUKBPDTPKKJBI-UHFFFAOYSA-N 0 3 295.386 2.427 20 30 CEEDHN C[C@H]1[C@H](Nc2cc(F)c(C#N)cc2[N+](=O)[O-])CCN1C ZINC000895737217 630326345 /nfs/dbraw/zinc/32/63/45/630326345.db2.gz NIWXNEKFUTWSGY-GZMMTYOYSA-N 0 3 278.287 2.110 20 30 CEEDHN C=CCC1(O)CCN(Cc2cccc3nccn32)CC1 ZINC000895835982 630371946 /nfs/dbraw/zinc/37/19/46/630371946.db2.gz SUCUXXVCHZGSTA-UHFFFAOYSA-N 0 3 271.364 2.237 20 30 CEEDHN CC(C)(O)[C@H]1CCN(Cc2csc(C#N)c2)C1 ZINC000895954393 630417801 /nfs/dbraw/zinc/41/78/01/630417801.db2.gz YJSKWVRWBHGOGT-NSHDSACASA-N 0 3 250.367 2.213 20 30 CEEDHN CC(C)(O)[C@@H]1CCN(Cc2csc(C#N)c2)C1 ZINC000895954392 630417846 /nfs/dbraw/zinc/41/78/46/630417846.db2.gz YJSKWVRWBHGOGT-LLVKDONJSA-N 0 3 250.367 2.213 20 30 CEEDHN C=C1CCC(C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000896612034 630609749 /nfs/dbraw/zinc/60/97/49/630609749.db2.gz VVUFHIGNIZBKCF-MRXNPFEDSA-N 0 3 294.439 2.302 20 30 CEEDHN C#CCCCNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000896700614 630637033 /nfs/dbraw/zinc/63/70/33/630637033.db2.gz BWNVILMYIBPJLM-MRXNPFEDSA-N 0 3 288.391 2.264 20 30 CEEDHN CON(C)C(=O)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000799146684 630986565 /nfs/dbraw/zinc/98/65/65/630986565.db2.gz APWIWJJFFPJWHX-UHFFFAOYSA-N 0 3 299.374 2.057 20 30 CEEDHN C=C1CCC(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)CC1 ZINC000897237841 631008467 /nfs/dbraw/zinc/00/84/67/631008467.db2.gz QXKGYBFQWBRGLQ-KBPBESRZSA-N 0 3 282.453 2.237 20 30 CEEDHN C#CCNC(=O)CN[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000799339201 631014285 /nfs/dbraw/zinc/01/42/85/631014285.db2.gz JWZPBBSAVLLJFR-MRXNPFEDSA-N 0 3 284.403 2.429 20 30 CEEDHN Cc1ccc(C)c(NNC2=CC(=O)N3CCCC23)c1 ZINC000799471341 631029501 /nfs/dbraw/zinc/02/95/01/631029501.db2.gz GLGPFMPNRSFDPW-CQSZACIVSA-N 0 3 257.337 2.466 20 30 CEEDHN Cc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1C#N ZINC000799686808 631062526 /nfs/dbraw/zinc/06/25/26/631062526.db2.gz ZEAQYNLGALYXQT-MLGOLLRUSA-N 0 3 283.375 2.079 20 30 CEEDHN Cc1ccc(C(=O)N[C@H]2CCCN(C(C)C)C2)cc1C#N ZINC000799721844 631070351 /nfs/dbraw/zinc/07/03/51/631070351.db2.gz YAKWNQQJUIDZEN-INIZCTEOSA-N 0 3 285.391 2.469 20 30 CEEDHN C#Cc1ccc(C(=O)N2CCC(N(C)CCF)CC2)cc1 ZINC000985565530 631140925 /nfs/dbraw/zinc/14/09/25/631140925.db2.gz IKFJTUCCOYTHJN-UHFFFAOYSA-N 0 3 288.366 2.174 20 30 CEEDHN C=CC[C@@H](C)[C@H](C)NCc1noc2c1COCC2 ZINC000897365436 631205657 /nfs/dbraw/zinc/20/56/57/631205657.db2.gz HIXZYYBIYYDQHB-MNOVXSKESA-N 0 3 250.342 2.438 20 30 CEEDHN CCCCN(CC(=O)NCCC#N)Cc1ccccc1O ZINC000801599546 631296930 /nfs/dbraw/zinc/29/69/30/631296930.db2.gz SNLBUQXVPRYVMD-UHFFFAOYSA-N 0 3 289.379 2.024 20 30 CEEDHN C[C@@H](NCCNc1ccccn1)c1cc(C#N)ccn1 ZINC000902814300 634848373 /nfs/dbraw/zinc/84/83/73/634848373.db2.gz CDLOJPMSZOSHCA-GFCCVEGCSA-N 0 3 267.336 2.111 20 30 CEEDHN CCOc1ccc(CN(C)CCO[C@H](C)C#N)cc1 ZINC000801911111 631346814 /nfs/dbraw/zinc/34/68/14/631346814.db2.gz FSROICZVLHKANT-CYBMUJFWSA-N 0 3 262.353 2.446 20 30 CEEDHN C[C@H](C#N)OCCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000801939108 631364398 /nfs/dbraw/zinc/36/43/98/631364398.db2.gz MQTGDAMMUUQDFL-GHMZBOCLSA-N 0 3 263.297 2.174 20 30 CEEDHN Cc1cc(F)ccc1CN(C)CCO[C@@H](C)C#N ZINC000801948650 631367558 /nfs/dbraw/zinc/36/75/58/631367558.db2.gz CUMDCCPCHRLIJE-LBPRGKRZSA-N 0 3 250.317 2.495 20 30 CEEDHN C#CC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000804128975 631638874 /nfs/dbraw/zinc/63/88/74/631638874.db2.gz WZOZDKYBEXDXFB-AWEZNQCLSA-N 0 3 278.783 2.472 20 30 CEEDHN C[C@H]1C[C@@H](NCc2ccsc2)CN1C(=O)C#CC1CC1 ZINC000988812659 631699237 /nfs/dbraw/zinc/69/92/37/631699237.db2.gz NKHKLBGWNGXXGI-SWLSCSKDSA-N 0 3 288.416 2.241 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3occc3c2)C1 ZINC000988874610 631704012 /nfs/dbraw/zinc/70/40/12/631704012.db2.gz LJHOHJMZOHYHGK-DOMZBBRYSA-N 0 3 282.343 2.259 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc(C(C)C)n2)C1 ZINC000989120079 631729998 /nfs/dbraw/zinc/72/99/98/631729998.db2.gz NITJOILOHLUGKC-KBPBESRZSA-N 0 3 285.391 2.031 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCc2ccc(C)cc2)C1 ZINC000989152349 631736738 /nfs/dbraw/zinc/73/67/38/631736738.db2.gz CXZYYRNEHNSJLJ-WBVHZDCISA-N 0 3 284.403 2.140 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCc2ccc(C)cc2C)C1 ZINC000989250980 631757503 /nfs/dbraw/zinc/75/75/03/631757503.db2.gz CTVXDHORIFHHGZ-AEFFLSMTSA-N 0 3 298.430 2.448 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2nccc3ccccc32)C1 ZINC000989374379 631798801 /nfs/dbraw/zinc/79/88/01/631798801.db2.gz MTLKZORFZZKAAW-DZGCQCFKSA-N 0 3 293.370 2.061 20 30 CEEDHN C#Cc1ccc(CNCc2ccccc2CO)cc1 ZINC000809609350 632110138 /nfs/dbraw/zinc/11/01/38/632110138.db2.gz HOPIFYLZJTWDFF-UHFFFAOYSA-N 0 3 251.329 2.450 20 30 CEEDHN C#Cc1ccc(CN[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000809625383 632114579 /nfs/dbraw/zinc/11/45/79/632114579.db2.gz DIIKYCPFPRQKLQ-HNNXBMFYSA-N 0 3 270.376 2.157 20 30 CEEDHN C[S@@](=O)CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000810146520 632187182 /nfs/dbraw/zinc/18/71/82/632187182.db2.gz SKRQKHXMGJZISD-LJQANCHMSA-N 0 3 290.310 2.045 20 30 CEEDHN C#CCOc1cccc(Cl)c1CNCCc1cn[nH]c1 ZINC000810166471 632190499 /nfs/dbraw/zinc/19/04/99/632190499.db2.gz TVIJDLGKYHMBIT-UHFFFAOYSA-N 0 3 289.766 2.407 20 30 CEEDHN C=CCCN1CC[C@H](NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001014389090 632193652 /nfs/dbraw/zinc/19/36/52/632193652.db2.gz HMLTUYQIYAEHNV-LBPRGKRZSA-N 0 3 291.395 2.352 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccn2C2CCCC2)C1 ZINC000989616633 632212686 /nfs/dbraw/zinc/21/26/86/632212686.db2.gz YIZYFAAQSPWTSO-HUUCEWRRSA-N 0 3 299.418 2.429 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccccc2Cl)C1 ZINC000989706361 632227900 /nfs/dbraw/zinc/22/79/00/632227900.db2.gz DXHAHIITEXCJMU-NWDGAFQWSA-N 0 3 276.767 2.166 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccccc2Cl)C1 ZINC000989706360 632228313 /nfs/dbraw/zinc/22/83/13/632228313.db2.gz DXHAHIITEXCJMU-NEPJUHHUSA-N 0 3 276.767 2.166 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000989740547 632235634 /nfs/dbraw/zinc/23/56/34/632235634.db2.gz ZMPUJXXOSZCUMU-IUODEOHRSA-N 0 3 290.794 2.095 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C3CC3)cc2)C1 ZINC000989819740 632246299 /nfs/dbraw/zinc/24/62/99/632246299.db2.gz MZOBJYFGGWYQLE-SUMWQHHRSA-N 0 3 282.387 2.390 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)CC3CCCC3)CCC[C@H]12 ZINC000989922088 632279811 /nfs/dbraw/zinc/27/98/11/632279811.db2.gz NUKJCZVNWLYUSC-DOTOQJQBSA-N 0 3 274.408 2.313 20 30 CEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cscn3)CCC[C@H]12 ZINC000990024562 632303617 /nfs/dbraw/zinc/30/36/17/632303617.db2.gz DHPAWJQEAMQNDO-ZFWWWQNUSA-N 0 3 291.420 2.446 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(F)nc3)CCC[C@@H]12 ZINC000990044321 632307555 /nfs/dbraw/zinc/30/75/55/632307555.db2.gz WOVUSHXEQDRPRN-CJNGLKHVSA-N 0 3 289.354 2.134 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)C3CC=CC3)CCC[C@@H]12 ZINC000990096960 632310530 /nfs/dbraw/zinc/31/05/30/632310530.db2.gz QAHVMRUXDGZDBC-NVXWUHKLSA-N 0 3 272.392 2.089 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3cc[nH]c3C)CCC[C@H]12 ZINC000990158819 632322094 /nfs/dbraw/zinc/32/20/94/632322094.db2.gz ACNPQIOKLBWKDV-HOCLYGCPSA-N 0 3 273.380 2.236 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CC3(C)C)CCC[C@H]12 ZINC000990267029 632332539 /nfs/dbraw/zinc/33/25/39/632332539.db2.gz PAGABJFGZMQOFR-DVOMOZLQSA-N 0 3 262.397 2.332 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3coc(CC)n3)CCC[C@H]12 ZINC000990286025 632333152 /nfs/dbraw/zinc/33/31/52/632333152.db2.gz AHZXIPWMYBSUSB-BBRMVZONSA-N 0 3 289.379 2.150 20 30 CEEDHN C#CCN(C(=O)NCCCCC1CC1)C1CCN(C)CC1 ZINC000923912496 632339336 /nfs/dbraw/zinc/33/93/36/632339336.db2.gz FIFACBYGNYWMCE-UHFFFAOYSA-N 0 3 291.439 2.306 20 30 CEEDHN CO[C@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813218752 632650955 /nfs/dbraw/zinc/65/09/55/632650955.db2.gz ZCSROBPRULANMP-APPZFPTMSA-N 0 3 272.226 2.312 20 30 CEEDHN N#CC[C@]1(O)CCN(CC[C@H]2CCCC2(F)F)C1 ZINC000878761147 651180947 /nfs/dbraw/zinc/18/09/47/651180947.db2.gz HFWJXXHTGUBWGY-NEPJUHHUSA-N 0 3 258.312 2.162 20 30 CEEDHN CC1/C(=C/c2cccc3c2OCC3)C(=O)c2ncnn21 ZINC000899382341 632815849 /nfs/dbraw/zinc/81/58/49/632815849.db2.gz ZKRLTLPVANTRFE-PPLKPFPSSA-N 0 3 267.288 2.054 20 30 CEEDHN CC1/C(=C/c2ccc3c(c2)C[C@@H](C)O3)C(=O)c2ncnn21 ZINC000899379932 632821234 /nfs/dbraw/zinc/82/12/34/632821234.db2.gz DIKWQVQLDOREQP-OVQWGOHOSA-N 0 3 281.315 2.442 20 30 CEEDHN CCc1ccc(C#CC(=O)NCCN2CCC[C@@H](C)C2)cc1 ZINC000814507376 632851413 /nfs/dbraw/zinc/85/14/13/632851413.db2.gz SRRORERJWDIERB-MRXNPFEDSA-N 0 3 298.430 2.449 20 30 CEEDHN C=CCC(F)(F)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000814802941 632899651 /nfs/dbraw/zinc/89/96/51/632899651.db2.gz CMQYPTQAKBXONS-AWEZNQCLSA-N 0 3 296.361 2.487 20 30 CEEDHN CCCC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccnc1 ZINC000814885723 632914258 /nfs/dbraw/zinc/91/42/58/632914258.db2.gz IEVGXWLWNXDFLS-HUUCEWRRSA-N 0 3 285.395 2.446 20 30 CEEDHN CCCC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccccn1 ZINC000814886000 632914506 /nfs/dbraw/zinc/91/45/06/632914506.db2.gz ONGNMJXZKANZRB-KBPBESRZSA-N 0 3 285.395 2.446 20 30 CEEDHN CC(C)OCCNN=C1CCCc2ccc(N)cc21 ZINC000814896755 632917905 /nfs/dbraw/zinc/91/79/05/632917905.db2.gz HGHKNRKQRMIDMF-UHFFFAOYSA-N 0 3 261.369 2.324 20 30 CEEDHN C#CCNC(=O)CCN1CCc2ccc(C(C)(C)C)cc2C1 ZINC000815085904 632957241 /nfs/dbraw/zinc/95/72/41/632957241.db2.gz FHSNCGKQCKVOAY-UHFFFAOYSA-N 0 3 298.430 2.482 20 30 CEEDHN C[C@H](O)CC(C)(C)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902872551 634865604 /nfs/dbraw/zinc/86/56/04/634865604.db2.gz JIDKVMWFNSRDJJ-RYUDHWBXSA-N 0 3 261.369 2.401 20 30 CEEDHN C=CCC(F)(F)C(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000816663040 633459350 /nfs/dbraw/zinc/45/93/50/633459350.db2.gz HNYWNZHDNQDVTF-RYUDHWBXSA-N 0 3 272.339 2.283 20 30 CEEDHN C[C@@H](C#N)OCCN1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000817289185 633619871 /nfs/dbraw/zinc/61/98/71/633619871.db2.gz UINYAUMFBZMOGG-RDBSUJKOSA-N 0 3 296.411 2.215 20 30 CEEDHN CC(C)(NC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1 ZINC000818111282 633871043 /nfs/dbraw/zinc/87/10/43/633871043.db2.gz LNUQKNDZOQVFKE-ZDUSSCGKSA-N 0 3 277.343 2.198 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000818588951 633952818 /nfs/dbraw/zinc/95/28/18/633952818.db2.gz KKVFQIJCBKZVQJ-UHFFFAOYSA-N 0 3 297.402 2.090 20 30 CEEDHN C[C@H]1CN=C(NC(=O)C(C#N)CCc2ccccc2)S1 ZINC000819784344 634263890 /nfs/dbraw/zinc/26/38/90/634263890.db2.gz ZGTMURCBGANUPU-WCQYABFASA-N 0 3 287.388 2.366 20 30 CEEDHN C#Cc1cccc(CNC(=O)[C@H]2CCCN2C(C)C)c1 ZINC000822017996 634837172 /nfs/dbraw/zinc/83/71/72/634837172.db2.gz WUYRNCQEEFZSSX-MRXNPFEDSA-N 0 3 270.376 2.157 20 30 CEEDHN C=C[C@H](CC)CC(=O)NC(C)(C)CN1CCN(CC)CC1 ZINC000822047483 634841510 /nfs/dbraw/zinc/84/15/10/634841510.db2.gz WVQPALYWFPCRBP-OAHLLOKOSA-N 0 3 295.471 2.121 20 30 CEEDHN CCC(CC)(CO)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902886587 634879733 /nfs/dbraw/zinc/87/97/33/634879733.db2.gz QFXZRYVOUGRFEF-GFCCVEGCSA-N 0 3 261.369 2.403 20 30 CEEDHN CCCn1cc([C@H](C)NCCc2ccc(C#N)cc2)nn1 ZINC000903046825 634954332 /nfs/dbraw/zinc/95/43/32/634954332.db2.gz BIWJLCMOGCKQFD-ZDUSSCGKSA-N 0 3 283.379 2.453 20 30 CEEDHN COC[C@H](NCC1(C#N)CCCC1)[C@H]1CCCOC1 ZINC000903109369 634973347 /nfs/dbraw/zinc/97/33/47/634973347.db2.gz OGKUUBJNKMZNCT-KBPBESRZSA-N 0 3 266.385 2.102 20 30 CEEDHN COC[C@H](N[C@H](C)c1cc(C#N)ccn1)[C@@H]1CCCOC1 ZINC000903095385 634976890 /nfs/dbraw/zinc/97/68/90/634976890.db2.gz VXXXSBHOYQNOPG-XPKDYRNWSA-N 0 3 289.379 2.045 20 30 CEEDHN C#C[C@@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C ZINC000822959604 635035258 /nfs/dbraw/zinc/03/52/58/635035258.db2.gz OZAQMHMSGXYSNR-GFCCVEGCSA-N 0 3 252.402 2.128 20 30 CEEDHN CO[C@@]1(CN[C@@H](C)c2cc(C#N)ccn2)CCSC1 ZINC000903316120 635063542 /nfs/dbraw/zinc/06/35/42/635063542.db2.gz MWVFTVWODWXFAW-SMDDNHRTSA-N 0 3 277.393 2.126 20 30 CEEDHN CCCN(C(=O)c1cc(C#N)ccc1C)[C@@H]1CCN(C)C1 ZINC000823498863 635199446 /nfs/dbraw/zinc/19/94/46/635199446.db2.gz CAFDMTXMMCUDOC-OAHLLOKOSA-N 0 3 285.391 2.423 20 30 CEEDHN CC(C)N1CCC[C@@H]1C(=O)N1Cc2cccc(C#N)c2C1 ZINC000824132592 635360076 /nfs/dbraw/zinc/36/00/76/635360076.db2.gz QKADRPKEPCGBKY-MRXNPFEDSA-N 0 3 283.375 2.273 20 30 CEEDHN CC(C)N1CCC[C@@H]1C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000824328677 635406290 /nfs/dbraw/zinc/40/62/90/635406290.db2.gz VUATYQMTPSTNRY-MRXNPFEDSA-N 0 3 283.375 2.273 20 30 CEEDHN COc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1C ZINC000905079598 635796503 /nfs/dbraw/zinc/79/65/03/635796503.db2.gz CIZJYWQESAVPSF-QVIVLVACSA-N 0 3 269.304 2.436 20 30 CEEDHN CCCCCCC[C@H](C)CNC(=O)C[C@H]1CNCCO1 ZINC000827498569 636336522 /nfs/dbraw/zinc/33/65/22/636336522.db2.gz PUFKBRLZEWGXLC-GJZGRUSLSA-N 0 3 284.444 2.478 20 30 CEEDHN C#C[C@H](NCc1ccc(O)c(OCC)c1)C1CCOCC1 ZINC000827560350 636352567 /nfs/dbraw/zinc/35/25/67/636352567.db2.gz PFEUFEZVVKPYIJ-HNNXBMFYSA-N 0 3 289.375 2.309 20 30 CEEDHN C#C[C@@H](NCc1ccc(OC)c(C#N)c1)C1CCOCC1 ZINC000827565483 636354902 /nfs/dbraw/zinc/35/49/02/636354902.db2.gz MJJFRNYTWMAYIJ-MRXNPFEDSA-N 0 3 284.359 2.085 20 30 CEEDHN C#C[C@@H](NCc1c[nH]nc1C(C)(C)C)C1CCOCC1 ZINC000827569399 636355893 /nfs/dbraw/zinc/35/58/93/636355893.db2.gz APRMSQWVWKXFBW-CQSZACIVSA-N 0 3 275.396 2.225 20 30 CEEDHN C#C[C@@H](NCc1ccccc1NC(C)=O)C1CCOCC1 ZINC000827566192 636356278 /nfs/dbraw/zinc/35/62/78/636356278.db2.gz TVRZSZVTHYLKMK-MRXNPFEDSA-N 0 3 286.375 2.163 20 30 CEEDHN CC(C)(C(=O)NCC#Cc1ccccc1)N1CCCCC1 ZINC000905676610 636389722 /nfs/dbraw/zinc/38/97/22/636389722.db2.gz PZTIZFJICDUUMR-UHFFFAOYSA-N 0 3 284.403 2.419 20 30 CEEDHN C#CCCN1CCN(C[C@H]2CCCCC2(F)F)CC1 ZINC000828519188 636617311 /nfs/dbraw/zinc/61/73/11/636617311.db2.gz IKOPKXCRFUMMFU-CQSZACIVSA-N 0 3 270.367 2.453 20 30 CEEDHN CC(C)N1CCC[C@@H]1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000828600450 636639065 /nfs/dbraw/zinc/63/90/65/636639065.db2.gz FZAYROGVVNHLHD-DLBZAZTESA-N 0 3 297.402 2.014 20 30 CEEDHN C#CC[C@H]1CCCN(Cc2cc(C(=O)OC)co2)C1 ZINC000829779427 636927749 /nfs/dbraw/zinc/92/77/49/636927749.db2.gz UNNJAHFACMEZSK-LBPRGKRZSA-N 0 3 261.321 2.302 20 30 CEEDHN C=CC(C)(C)CC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000907281453 636983255 /nfs/dbraw/zinc/98/32/55/636983255.db2.gz IWCCXOHQWFZUJN-LBPRGKRZSA-N 0 3 250.386 2.355 20 30 CEEDHN C#CC1CCN([C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000830311600 637032266 /nfs/dbraw/zinc/03/22/66/637032266.db2.gz QSZLPXWBGAVJPP-INIZCTEOSA-N 0 3 270.376 2.161 20 30 CEEDHN C#CC1CCN([C@@H](C)C(=O)N[C@@H](C)CCC)CC1 ZINC000830316078 637033766 /nfs/dbraw/zinc/03/37/66/637033766.db2.gz DAOQDHGXEPZDGY-STQMWFEESA-N 0 3 250.386 2.025 20 30 CEEDHN C#CC1CCN([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000830345793 637043459 /nfs/dbraw/zinc/04/34/59/637043459.db2.gz SUPFTGJLJINASU-HNNXBMFYSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCCCCCCN(CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000876538725 650311858 /nfs/dbraw/zinc/31/18/58/650311858.db2.gz VTNXMXQDQKLSJV-OAHLLOKOSA-N 0 3 285.453 2.469 20 30 CEEDHN N#Cc1ccc(OCCCN2CC[C@](O)(C(F)F)C2)cc1 ZINC000831169619 637244719 /nfs/dbraw/zinc/24/47/19/637244719.db2.gz CRPSXKPVHLCHOM-OAHLLOKOSA-N 0 3 296.317 2.029 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1cc(C)ccc1OC ZINC000876566273 650333433 /nfs/dbraw/zinc/33/34/33/650333433.db2.gz FGOWXWXPYNGNIO-ZDUSSCGKSA-N 0 3 296.798 2.132 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(F)c(F)c1 ZINC000876575773 650340221 /nfs/dbraw/zinc/34/02/21/650340221.db2.gz SESROGRYTRRFBI-LLVKDONJSA-N 0 3 274.698 2.051 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cccc(OC)c1 ZINC000876576408 650341424 /nfs/dbraw/zinc/34/14/24/650341424.db2.gz JUMOEUIEJRJGBL-ZWNOBZJWSA-N 0 3 282.771 2.342 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000876660612 650383996 /nfs/dbraw/zinc/38/39/96/650383996.db2.gz WAECQQPZLGZZPA-JQWIXIFHSA-N 0 3 284.791 2.111 20 30 CEEDHN CN(C)c1ccc(/C=C\C=NN[C@H]2CCOC2)cc1 ZINC000834976761 638007282 /nfs/dbraw/zinc/00/72/82/638007282.db2.gz HKDIFIBIJDDNNE-WUICOFRCSA-N 0 3 259.353 2.130 20 30 CEEDHN CN1CCc2cc(C=NN[C@@H]3CCOC3(C)C)ccc21 ZINC000835017934 638024860 /nfs/dbraw/zinc/02/48/60/638024860.db2.gz RXWPADVKHCTDMC-OAHLLOKOSA-N 0 3 273.380 2.170 20 30 CEEDHN CCC[C@H](OC)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000835059370 638043797 /nfs/dbraw/zinc/04/37/97/638043797.db2.gz IDCFJBWWZVEHOE-AAEUAGOBSA-N 0 3 261.325 2.085 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(OC)cc1C ZINC000876666759 650388663 /nfs/dbraw/zinc/38/86/63/650388663.db2.gz WEOJAHOHWGDGGH-CYBMUJFWSA-N 0 3 282.771 2.090 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1c(C)cccc1F ZINC000876679209 650395684 /nfs/dbraw/zinc/39/56/84/650395684.db2.gz WZPPQOPPFIPNDF-LBPRGKRZSA-N 0 3 270.735 2.220 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C1CC1)C1CC1 ZINC000876685783 650398993 /nfs/dbraw/zinc/39/89/93/650398993.db2.gz KRPBIQQHQMVXMT-GFCCVEGCSA-N 0 3 256.777 2.009 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(CC(C)C)CC1 ZINC000876704486 650407329 /nfs/dbraw/zinc/40/73/29/650407329.db2.gz ZXJJFAUESSKPQL-NSHDSACASA-N 0 3 258.793 2.399 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1ccccn1 ZINC000876726436 650411329 /nfs/dbraw/zinc/41/13/29/650411329.db2.gz GJSXWBONIRRYBH-DGCLKSJQSA-N 0 3 279.771 2.215 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000911884132 638454253 /nfs/dbraw/zinc/45/42/53/638454253.db2.gz ZQUWZTUVZCCQMO-LBPRGKRZSA-N 0 3 276.336 2.080 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000911910606 638476500 /nfs/dbraw/zinc/47/65/00/638476500.db2.gz HWNLRUNCGBLZAF-ZDUSSCGKSA-N 0 3 276.336 2.095 20 30 CEEDHN CC(C)C[C@H]1CN(C)CCN1c1ccnc(C#N)c1 ZINC000912353851 638657631 /nfs/dbraw/zinc/65/76/31/638657631.db2.gz WCUNLKXJYBOGJG-HNNXBMFYSA-N 0 3 258.369 2.120 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(F)cc1OC ZINC000912359034 638657676 /nfs/dbraw/zinc/65/76/76/638657676.db2.gz HBOZJJNSXDDQOJ-LLVKDONJSA-N 0 3 266.316 2.456 20 30 CEEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc(=O)n(C)c1 ZINC000912422656 638688730 /nfs/dbraw/zinc/68/87/30/638688730.db2.gz FSKHCXRESHJAFM-AWEZNQCLSA-N 0 3 293.411 2.402 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)C[C@@H](C)c1nccs1 ZINC000876884816 650472719 /nfs/dbraw/zinc/47/27/19/650472719.db2.gz KQUGTVCCYQJFMB-PSASIEDQSA-N 0 3 287.816 2.175 20 30 CEEDHN CN(CCNC(=O)C#CC(C)(C)C)Cc1ccccc1 ZINC000837361176 639202493 /nfs/dbraw/zinc/20/24/93/639202493.db2.gz YGTXKLJHQCDPDF-UHFFFAOYSA-N 0 3 272.392 2.284 20 30 CEEDHN CC(C)N1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC000837536603 639271743 /nfs/dbraw/zinc/27/17/43/639271743.db2.gz ZQRCJBBOWHNUNQ-CYBMUJFWSA-N 0 3 250.386 2.025 20 30 CEEDHN N#Cc1cnc(Cl)c(CNCC[C@H]2CCCO2)c1 ZINC000876923057 650487119 /nfs/dbraw/zinc/48/71/19/650487119.db2.gz CBNDYSVWGJGLCB-GFCCVEGCSA-N 0 3 265.744 2.265 20 30 CEEDHN C#CCC(CC#C)C(=O)OCCN(C)Cc1ccccc1 ZINC000837716138 639355071 /nfs/dbraw/zinc/35/50/71/639355071.db2.gz JOJLPHMYKDWMIW-UHFFFAOYSA-N 0 3 283.371 2.324 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C1CCC(F)CC1 ZINC000876973243 650513670 /nfs/dbraw/zinc/51/36/70/650513670.db2.gz BZVLPQGCEDPYJK-XKGSQUFQSA-N 0 3 276.783 2.489 20 30 CEEDHN N#Cc1cccc(CNCCN2CCc3ccccc32)n1 ZINC000876983627 650518776 /nfs/dbraw/zinc/51/87/76/650518776.db2.gz RQAWAFGOQKCTTA-UHFFFAOYSA-N 0 3 278.359 2.106 20 30 CEEDHN C#CCN(CCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000171611685 639724020 /nfs/dbraw/zinc/72/40/20/639724020.db2.gz GOFQLKYIPWZQIB-CYBMUJFWSA-N 0 3 266.385 2.341 20 30 CEEDHN C#CCOc1ccc(CNCc2ccc(C(N)=O)cc2)cc1 ZINC000172111902 639747559 /nfs/dbraw/zinc/74/75/59/639747559.db2.gz QEFLRZOVAZANAN-UHFFFAOYSA-N 0 3 294.354 2.087 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000876992703 650522505 /nfs/dbraw/zinc/52/25/05/650522505.db2.gz HYPDOFHNEGJJFK-XKSSXDPKSA-N 0 3 280.746 2.206 20 30 CEEDHN C#CC[C@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccccc1 ZINC000841865069 639889626 /nfs/dbraw/zinc/88/96/26/639889626.db2.gz JRWQJYCSNQUVFF-FMKPAKJESA-N 0 3 285.391 2.143 20 30 CEEDHN CC[C@H](C)[C@@](C)(O)CNCc1cc(C#N)cnc1Cl ZINC000877029525 650537951 /nfs/dbraw/zinc/53/79/51/650537951.db2.gz GDUAPJZDLYULAP-HZMBPMFUSA-N 0 3 281.787 2.493 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccnc(C)c3)CCC[C@@H]12 ZINC000992356845 640032594 /nfs/dbraw/zinc/03/25/94/640032594.db2.gz CMTILFQWULPVQW-SJLPKXTDSA-N 0 3 297.402 2.140 20 30 CEEDHN N#Cc1cnc(Cl)c(CNC[C@H]2CCCC[C@@H]2O)c1 ZINC000877054849 650550908 /nfs/dbraw/zinc/55/09/08/650550908.db2.gz IKTRQVBWBCXUQQ-YPMHNXCESA-N 0 3 279.771 2.247 20 30 CEEDHN C[C@H](CO)N(C)N=C1CCCC[C@@H]1N1CCCCC1 ZINC000842540360 640095359 /nfs/dbraw/zinc/09/53/59/640095359.db2.gz JZEPYIMTBBZKHJ-HIFRSBDPSA-N 0 3 267.417 2.084 20 30 CEEDHN N#CC(C(=O)[C@H]1CCC(=O)C1)c1nc2ccccc2[nH]1 ZINC000842676678 640147339 /nfs/dbraw/zinc/14/73/39/640147339.db2.gz GXROIQOBPDONPQ-GXSJLCMTSA-N 0 3 267.288 2.108 20 30 CEEDHN C[C@@H](NCc1cc(C#N)cnc1Cl)[C@@H]1CCOC1 ZINC000877065046 650556323 /nfs/dbraw/zinc/55/63/23/650556323.db2.gz WFYTZWQDASJVGP-MWLCHTKSSA-N 0 3 265.744 2.121 20 30 CEEDHN CC[C@@H](C[C@@H](C)CO)NCc1cc(C#N)cnc1Cl ZINC000877065738 650557288 /nfs/dbraw/zinc/55/72/88/650557288.db2.gz UJBRNJVROPEWDB-MFKMUULPSA-N 0 3 281.787 2.493 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccncc2)[C@H]1C ZINC000992952262 640380722 /nfs/dbraw/zinc/38/07/22/640380722.db2.gz OSDGEYPJEDCHGW-UKRRQHHQSA-N 0 3 273.380 2.240 20 30 CEEDHN C#CC1CCN(Cc2cnc3ccc(C)cn23)CC1 ZINC000843426730 640426824 /nfs/dbraw/zinc/42/68/24/640426824.db2.gz IHSSHNBALNWJFB-UHFFFAOYSA-N 0 3 253.349 2.488 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2n[nH]c(C)c2C)[C@H]1C ZINC000993129929 640468404 /nfs/dbraw/zinc/46/84/04/640468404.db2.gz YCELYUSECJOEHP-KGLIPLIRSA-N 0 3 290.411 2.185 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cncc(F)c2)[C@H]1C ZINC000993186870 640524615 /nfs/dbraw/zinc/52/46/15/640524615.db2.gz ODJCKVCHGSACII-DOMZBBRYSA-N 0 3 291.370 2.380 20 30 CEEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccn(C)c2)[C@H]1C ZINC000993195360 640539335 /nfs/dbraw/zinc/53/93/35/640539335.db2.gz FVNKHOMKCAQHAQ-HIFRSBDPSA-N 0 3 275.396 2.184 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2cc[nH]c2CC)[C@H]1C ZINC000993316257 640592273 /nfs/dbraw/zinc/59/22/73/640592273.db2.gz RYQZGMNYLDEJKL-CJNGLKHVSA-N 0 3 287.407 2.183 20 30 CEEDHN C=CCN1CCC[C@H](NC(=O)Cc2cnccc2C)[C@H]1C ZINC000993469181 640646873 /nfs/dbraw/zinc/64/68/73/640646873.db2.gz XPUXASOBAOLLSD-ZBFHGGJFSA-N 0 3 287.407 2.088 20 30 CEEDHN C=C[C@@H](C)ONC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000844284914 640658592 /nfs/dbraw/zinc/65/85/92/640658592.db2.gz YVZHKXBHAODXMJ-OCCSQVGLSA-N 0 3 277.368 2.095 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)Cc2occc2C)[C@H]1C ZINC000993767315 640675687 /nfs/dbraw/zinc/67/56/87/640675687.db2.gz XPMZQPWTDISBRD-CABCVRRESA-N 0 3 288.391 2.123 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC[C@H]1CNc2ccccc21 ZINC000877151728 650597905 /nfs/dbraw/zinc/59/79/05/650597905.db2.gz QGGKNJRRWONBRC-WCQYABFASA-N 0 3 293.798 2.172 20 30 CEEDHN C=CCN1CCC[C@@H](NC(=O)c2c[nH]c3cccnc32)[C@@H]1C ZINC000994214428 640700485 /nfs/dbraw/zinc/70/04/85/640700485.db2.gz TULDZYCKORNZIB-GXTWGEPZSA-N 0 3 298.390 2.332 20 30 CEEDHN C#Cc1ccccc1CC(=O)N[C@H]1CCCN(CC=C)[C@H]1C ZINC000994300709 640807195 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/nfs/dbraw/zinc/53/07/00/646530700.db2.gz SAKAJQIYELIXFN-MRXNPFEDSA-N 0 3 297.402 2.200 20 30 CEEDHN COCCOCc1ccc(C=NNc2ccnc(C)c2)cc1 ZINC000863159619 646658725 /nfs/dbraw/zinc/65/87/25/646658725.db2.gz XZIDDVDLYBQURN-UHFFFAOYSA-N 0 3 299.374 2.421 20 30 CEEDHN CC(C)[C@H](C(=O)N(C)CCc1cccc(C#N)c1)N(C)C ZINC000863435727 646724443 /nfs/dbraw/zinc/72/44/43/646724443.db2.gz UIVCZWKALWXBJB-MRXNPFEDSA-N 0 3 287.407 2.145 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)C1CCC(=O)CC1 ZINC000773975558 646791662 /nfs/dbraw/zinc/79/16/62/646791662.db2.gz VZDOKJUKKOOMCX-CQSZACIVSA-N 0 3 292.379 2.151 20 30 CEEDHN C#C[C@H](C)N(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775183054 646928846 /nfs/dbraw/zinc/92/88/46/646928846.db2.gz HCZYBECNUAZNDH-ZDUSSCGKSA-N 0 3 276.355 2.116 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000775268880 646935705 /nfs/dbraw/zinc/93/57/05/646935705.db2.gz LSDGMFIQLFCEGY-SWLSCSKDSA-N 0 3 290.363 2.231 20 30 CEEDHN C#C[C@@H](NCCc1cccc(F)c1F)[C@@H]1CCCO1 ZINC000775792854 646993075 /nfs/dbraw/zinc/99/30/75/646993075.db2.gz APGYITVXVONVCA-KGLIPLIRSA-N 0 3 265.303 2.278 20 30 CEEDHN C#C[C@H](NCc1cc(Cl)cc(OC)c1O)[C@@H]1CCCO1 ZINC000776002395 647015125 /nfs/dbraw/zinc/01/51/25/647015125.db2.gz SGKALNDYJLJXJK-STQMWFEESA-N 0 3 295.766 2.325 20 30 CEEDHN C[C@H](CNC(=O)c1coc(C#N)c1)N1CCC(C)CC1 ZINC000865028516 647159131 /nfs/dbraw/zinc/15/91/31/647159131.db2.gz IUQVHXNIPGMYEQ-GFCCVEGCSA-N 0 3 275.352 2.001 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H](F)Cc2ccccc2)CC1 ZINC000778266401 647213640 /nfs/dbraw/zinc/21/36/40/647213640.db2.gz ZFQNWJCCZBQHNV-INIZCTEOSA-N 0 3 290.382 2.334 20 30 CEEDHN C#CCCCCCC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000779959151 647375284 /nfs/dbraw/zinc/37/52/84/647375284.db2.gz JTKZCWPRSPQSHR-AWEZNQCLSA-N 0 3 250.386 2.123 20 30 CEEDHN C#CCCCCCC(=O)NCCN1CCCCC1 ZINC000780373297 647422201 /nfs/dbraw/zinc/42/22/01/647422201.db2.gz WWLKCIPAGGOJTJ-UHFFFAOYSA-N 0 3 250.386 2.172 20 30 CEEDHN Cc1c[nH]c(CNC2CCN(c3ccccc3C#N)CC2)n1 ZINC000865696283 647428620 /nfs/dbraw/zinc/42/86/20/647428620.db2.gz YHQGLFADPVVGIP-UHFFFAOYSA-N 0 3 295.390 2.348 20 30 CEEDHN C=CCS(=O)(=O)CCN[C@@H](C)CSC(C)(C)C ZINC000783533086 647726494 /nfs/dbraw/zinc/72/64/94/647726494.db2.gz XGJCUGVCRLGMLL-NSHDSACASA-N 0 3 279.471 2.097 20 30 CEEDHN COCC[C@@H](C)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000866586630 647833382 /nfs/dbraw/zinc/83/33/82/647833382.db2.gz BUNXMOICLXFVRY-CQSZACIVSA-N 0 3 273.380 2.105 20 30 CEEDHN CC#CCCN1CCCC[C@H]1COC(=O)N(C)CC ZINC000805761600 647853900 /nfs/dbraw/zinc/85/39/00/647853900.db2.gz BWBMJYVYPCGEFN-AWEZNQCLSA-N 0 3 266.385 2.343 20 30 CEEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CO[C@H](C)C3)nc21 ZINC000784518924 647858398 /nfs/dbraw/zinc/85/83/98/647858398.db2.gz WEBYPZRBUNTTIY-IJLUTSLNSA-N 0 3 283.331 2.473 20 30 CEEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3CO[C@H](C)C3)[nH]c21 ZINC000784518924 647858401 /nfs/dbraw/zinc/85/84/01/647858401.db2.gz WEBYPZRBUNTTIY-IJLUTSLNSA-N 0 3 283.331 2.473 20 30 CEEDHN C#CCCOC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC000867650114 647938898 /nfs/dbraw/zinc/93/88/98/647938898.db2.gz AAPSQIAVOXKZOX-INIZCTEOSA-N 0 3 286.375 2.319 20 30 CEEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CC1(C)C ZINC000787066539 648069902 /nfs/dbraw/zinc/06/99/02/648069902.db2.gz NMJJTIBIZCCUQP-KGLIPLIRSA-N 0 3 284.359 2.400 20 30 CEEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1CC1 ZINC000787076331 648070030 /nfs/dbraw/zinc/07/00/30/648070030.db2.gz CGPXQXAOWLXIKC-CQSZACIVSA-N 0 3 270.332 2.154 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)C1CC(OCC)C1 ZINC000805851191 648134948 /nfs/dbraw/zinc/13/49/48/648134948.db2.gz FZXAQNPZZVPDGN-JXQTWKCFSA-N 0 3 294.395 2.207 20 30 CEEDHN C#C[C@@H](CCC)NC(=O)NCCN(C)Cc1ccccc1 ZINC000791017409 648472271 /nfs/dbraw/zinc/47/22/71/648472271.db2.gz NJBPHWSMWFHLNY-INIZCTEOSA-N 0 3 287.407 2.220 20 30 CEEDHN C#CCC(C)(C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000791058663 648477427 /nfs/dbraw/zinc/47/74/27/648477427.db2.gz CWVDFPFJGUQZAX-ZDUSSCGKSA-N 0 3 264.413 2.273 20 30 CEEDHN N#CC(C(=O)CCc1nnc[nH]1)c1nccc2ccccc21 ZINC000792106268 648608870 /nfs/dbraw/zinc/60/88/70/648608870.db2.gz QECLYNCPCDXVEE-CYBMUJFWSA-N 0 3 291.314 2.162 20 30 CEEDHN N#CC(C(=O)C[C@@H]1COC(=O)C1)c1nccc2ccccc21 ZINC000792105483 648609094 /nfs/dbraw/zinc/60/90/94/648609094.db2.gz MJNPDRWAUNODEN-FZMZJTMJSA-N 0 3 294.310 2.364 20 30 CEEDHN CN1CCN(C(=O)C2(C#N)CC3(CC3)C2)CCC1(C)C ZINC000871159335 649019641 /nfs/dbraw/zinc/01/96/41/649019641.db2.gz SVSCUUJBWJOMTJ-UHFFFAOYSA-N 0 3 275.396 2.013 20 30 CEEDHN C=CC[C@H](CO)C[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872053368 649256109 /nfs/dbraw/zinc/25/61/09/649256109.db2.gz JFHXEAFXVIOQNM-MNOVXSKESA-N 0 3 253.317 2.367 20 30 CEEDHN CN1CCC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])cc1C#N ZINC000872778766 649485978 /nfs/dbraw/zinc/48/59/78/649485978.db2.gz JRENYIKDSQAWLL-GJZGRUSLSA-N 0 3 286.335 2.139 20 30 CEEDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(F)c1C#N ZINC000874832410 649845586 /nfs/dbraw/zinc/84/55/86/649845586.db2.gz FINQZIOYZRKNMF-LSDHHAIUSA-N 0 3 287.338 2.006 20 30 CEEDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cccc(F)c1C#N ZINC000874832407 649845760 /nfs/dbraw/zinc/84/57/60/649845760.db2.gz FINQZIOYZRKNMF-CABCVRRESA-N 0 3 287.338 2.006 20 30 CEEDHN C#C[C@@H](C)N(C)Cc1cc(C#N)cc(CN(C)[C@H](C)C#C)c1 ZINC000878517117 651119131 /nfs/dbraw/zinc/11/91/31/651119131.db2.gz NKWZHCZDHGKNDD-HZPDHXFCSA-N 0 3 293.414 2.465 20 30 CEEDHN C#CCCCCCN1CCN2CC(F)(F)C[C@H]2C1 ZINC000878746669 651178177 /nfs/dbraw/zinc/17/81/77/651178177.db2.gz BRRMBBJUIWCHIK-ZDUSSCGKSA-N 0 3 256.340 2.205 20 30 CEEDHN C#CCCN[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000879114518 651245547 /nfs/dbraw/zinc/24/55/47/651245547.db2.gz KVGODVZURIKRCD-LBPRGKRZSA-N 0 3 257.255 2.352 20 30 CEEDHN C=CCCCCCN1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879938566 651363108 /nfs/dbraw/zinc/36/31/08/651363108.db2.gz DJYBEYATXOAHHI-KBPBESRZSA-N 0 3 271.426 2.099 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](C(C)(C)O)C1 ZINC000879960385 651367175 /nfs/dbraw/zinc/36/71/75/651367175.db2.gz DIVIGYVILYNADR-HUUCEWRRSA-N 0 3 296.455 2.282 20 30 CEEDHN COc1cccc2c1CC[C@@]2(CO)NCC1(CC#N)CC1 ZINC000880381450 651433693 /nfs/dbraw/zinc/43/36/93/651433693.db2.gz AYKITMGCJYNHJP-KRWDZBQOSA-N 0 3 286.375 2.112 20 30 CEEDHN C=C(Cl)Cn1cc(CNC2CCCCC2)nn1 ZINC000881428173 651719095 /nfs/dbraw/zinc/71/90/95/651719095.db2.gz ULSRRZDMPBOTPQ-UHFFFAOYSA-N 0 3 254.765 2.453 20 30 CEEDHN Cc1nc(C#N)cc(NCCN(C)Cc2ccc(F)cc2)n1 ZINC000882055083 651947702 /nfs/dbraw/zinc/94/77/02/651947702.db2.gz FDLWGRMKLRFFGM-UHFFFAOYSA-N 0 3 299.353 2.340 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)C2CC2)CCN1Cc1ccc(C#N)cc1 ZINC000946956056 652304333 /nfs/dbraw/zinc/30/43/33/652304333.db2.gz CSPDZMQVGXLZGG-SUMWQHHRSA-N 0 3 297.402 2.437 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccc(OC(F)F)c(OCC)c1 ZINC000883123286 652369240 /nfs/dbraw/zinc/36/92/40/652369240.db2.gz STYXGTVGRGOULC-LBPRGKRZSA-N 0 3 299.317 2.161 20 30 CEEDHN C=CCCn1cc(CNCC2(C)CC(F)(F)C2)nn1 ZINC000883250836 652415006 /nfs/dbraw/zinc/41/50/06/652415006.db2.gz QDJAXUXCNBOYOV-UHFFFAOYSA-N 0 3 270.327 2.379 20 30 CEEDHN C=C/C=C/CCNC(=O)NC1CCN(CC(=C)C)CC1 ZINC000883342356 652436797 /nfs/dbraw/zinc/43/67/97/652436797.db2.gz UFZXRPFLAIVTNP-AATRIKPKSA-N 0 3 277.412 2.458 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](CF)C2)CC1 ZINC000883342000 652436942 /nfs/dbraw/zinc/43/69/42/652436942.db2.gz HBICFWMVFDZHMW-CQSZACIVSA-N 0 3 297.418 2.418 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cn2cc(Cl)ccc2n1 ZINC000883400105 652456542 /nfs/dbraw/zinc/45/65/42/652456542.db2.gz DOSCTZIXFWPZPA-GFCCVEGCSA-N 0 3 279.771 2.404 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cn2cc(C)ccc2n1 ZINC000883400908 652456668 /nfs/dbraw/zinc/45/66/68/652456668.db2.gz XYVYBTJIGREUHH-CYBMUJFWSA-N 0 3 259.353 2.059 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1ccc(OC)cc1OC ZINC000883401394 652457253 /nfs/dbraw/zinc/45/72/53/652457253.db2.gz LRUDCCONINUBFN-ZDUSSCGKSA-N 0 3 265.353 2.121 20 30 CEEDHN C=C(C)C[C@H](CO)NCc1cccc(OC)c1OC ZINC000883401513 652457370 /nfs/dbraw/zinc/45/73/70/652457370.db2.gz OPNSNWQNPDPCBP-CYBMUJFWSA-N 0 3 265.353 2.121 20 30 CEEDHN CCCC[C@H](CC)CNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884043668 652654120 /nfs/dbraw/zinc/65/41/20/652654120.db2.gz FUDPJYFMPIOGBQ-UJEKJILKSA-N 0 3 291.439 2.458 20 30 CEEDHN Cc1ccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1 ZINC000884044361 652654671 /nfs/dbraw/zinc/65/46/71/652654671.db2.gz FNWSMAPJBHXZNZ-MFOWVQHXSA-N 0 3 269.348 2.073 20 30 CEEDHN CC(C)(C)CC(C)(C)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884047307 652658352 /nfs/dbraw/zinc/65/83/52/652658352.db2.gz NXMGHRQXYFPWTB-JZLYGMAVSA-N 0 3 291.439 2.457 20 30 CEEDHN CC[C@H](C)C[C@H](C)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884142108 652725693 /nfs/dbraw/zinc/72/56/93/652725693.db2.gz RHMRUTSXGQSJNF-NHVURDEDSA-N 0 3 277.412 2.067 20 30 CEEDHN Cc1cccc(F)c1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884311187 652790803 /nfs/dbraw/zinc/79/08/03/652790803.db2.gz TYIIUJNPDWTNAK-BGMSHATGSA-N 0 3 287.338 2.212 20 30 CEEDHN CCCN(CC(C)C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884436049 652850296 /nfs/dbraw/zinc/85/02/96/652850296.db2.gz STQDNHRNWWQZNK-NPCAHTBFSA-N 0 3 277.412 2.020 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cscn2)[C@H]1CC ZINC001087519096 805661766 /nfs/dbraw/zinc/66/17/66/805661766.db2.gz ZBDKEPGGKJTFSV-WCQYABFASA-N 0 3 279.409 2.302 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ncoc2CC)[C@H]1CC ZINC001087524352 805667843 /nfs/dbraw/zinc/66/78/43/805667843.db2.gz OWTXSNMEMWZUCN-QWHCGFSZSA-N 0 3 291.395 2.396 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)C2CC(C)C2)[C@H]1CC ZINC001087536658 805704439 /nfs/dbraw/zinc/70/44/39/805704439.db2.gz XMKIXDOTWSXCBQ-CLRIEMFWSA-N 0 3 250.386 2.188 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2nccn2CC)[C@H]1CC ZINC001087557448 805744229 /nfs/dbraw/zinc/74/42/29/805744229.db2.gz LMTHWCCCQLBEQS-UONOGXRCSA-N 0 3 290.411 2.062 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)c2ccn(C(C)C)n2)[C@H]1CC ZINC001087747333 805786787 /nfs/dbraw/zinc/78/67/87/805786787.db2.gz UGYYFRKGZHFFAL-DZGCQCFKSA-N 0 3 290.411 2.233 20 30 CEEDHN C#CCN1CCC[C@@]2(CCN(C(=O)/C=C\c3ccco3)C2)C1 ZINC001040043688 805807164 /nfs/dbraw/zinc/80/71/64/805807164.db2.gz NAKNJPKFGJNFNV-HPFMTEOYSA-N 0 3 298.386 2.241 20 30 CEEDHN CC#CCN1CC[C@@H]2CN(C(=O)/C=C\c3ccco3)C[C@@H]2C1 ZINC001087869433 805827553 /nfs/dbraw/zinc/82/75/53/805827553.db2.gz RRRSEMHMYWNUIO-UWUBPMADSA-N 0 3 298.386 2.096 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)CC3=CCCCC3)C[C@@H]2C1 ZINC001087910273 805848187 /nfs/dbraw/zinc/84/81/87/805848187.db2.gz XUDJFLVNAIOYER-SJORKVTESA-N 0 3 286.419 2.290 20 30 CEEDHN C#CCCCCC(=O)N1C[C@H]2CN(C/C=C/Cl)C[C@H]2C1 ZINC001271846251 806116261 /nfs/dbraw/zinc/11/62/61/806116261.db2.gz SLOPPXSLDUZHEX-WVOQPWCKSA-N 0 3 294.826 2.323 20 30 CEEDHN C=CCN1CC[C@H](NC(=O)CC2CCCC2)[C@H]1C ZINC001088452692 806252239 /nfs/dbraw/zinc/25/22/39/806252239.db2.gz ZMJOPPUUEWLATI-OCCSQVGLSA-N 0 3 250.386 2.332 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC001088454746 806254502 /nfs/dbraw/zinc/25/45/02/806254502.db2.gz GBZOAIOQOFTBBP-ZBFHGGJFSA-N 0 3 270.376 2.211 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C2CC(C)C2)[C@H]1C ZINC001088516461 806340054 /nfs/dbraw/zinc/34/00/54/806340054.db2.gz VPXNBGQSOCYUHT-HHTDUIENSA-N 0 3 250.386 2.188 20 30 CEEDHN C#CCCN(C)CCN(C)C(=O)c1cccn1C(C)C ZINC001272172174 806568227 /nfs/dbraw/zinc/56/82/27/806568227.db2.gz LILLFHBJAPBUHW-UHFFFAOYSA-N 0 3 275.396 2.096 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnc3cc[nH]c3c2)[C@H]1C ZINC001088651370 806580626 /nfs/dbraw/zinc/58/06/26/806580626.db2.gz HZSGEFKWBFOJMK-OCCSQVGLSA-N 0 3 298.390 2.332 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cncc(Cl)c1 ZINC001168350832 806671832 /nfs/dbraw/zinc/67/18/32/806671832.db2.gz YRAGBRHDDPLIBN-UHFFFAOYSA-N 0 3 288.178 2.197 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3cccc(F)c3)[C@@H]2C1 ZINC001076530042 806857256 /nfs/dbraw/zinc/85/72/56/806857256.db2.gz CJCKRKGKOBSDMZ-GOEBONIOSA-N 0 3 288.366 2.087 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)C(F)=C1CCCC1 ZINC001266267745 802337713 /nfs/dbraw/zinc/33/77/13/802337713.db2.gz NFBVMOOXGNMNOI-UHFFFAOYSA-N 0 3 254.349 2.408 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1cccc(F)c1C ZINC001266277010 802350014 /nfs/dbraw/zinc/35/00/14/802350014.db2.gz KOEXQWVRHQKJBA-UHFFFAOYSA-N 0 3 264.344 2.372 20 30 CEEDHN C=CCN(C)CCNC(=O)c1cnc2c(F)cccc2c1 ZINC001266299117 802408258 /nfs/dbraw/zinc/40/82/58/802408258.db2.gz UXMQCQFLQXCILE-UHFFFAOYSA-N 0 3 287.338 2.222 20 30 CEEDHN CC#CCCCC(=O)NCCN(C)C[C@H]1CC(C)(C)CO1 ZINC001266311607 802427382 /nfs/dbraw/zinc/42/73/82/802427382.db2.gz CPYQBFIIBLKUMD-OAHLLOKOSA-N 0 3 294.439 2.043 20 30 CEEDHN CCCCCCCN1CC[C@H](NC(=O)c2csnn2)C1 ZINC001266333994 802451566 /nfs/dbraw/zinc/45/15/66/802451566.db2.gz YGKNEKABYSZBCA-LBPRGKRZSA-N 0 3 296.440 2.313 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001038177264 802520214 /nfs/dbraw/zinc/52/02/14/802520214.db2.gz KMVTUEYIMNCKLY-OLZOCXBDSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)COCC=C ZINC001266481278 802625599 /nfs/dbraw/zinc/62/55/99/802625599.db2.gz NHGHORAIVXXPAT-OAGGEKHMSA-N 0 3 292.423 2.219 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H](C)OC ZINC001266483766 802626625 /nfs/dbraw/zinc/62/66/25/802626625.db2.gz DHLCBRYZGHBDOZ-SOUVJXGZSA-N 0 3 280.412 2.053 20 30 CEEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)COC ZINC001266491207 802628126 /nfs/dbraw/zinc/62/81/26/802628126.db2.gz HBOHRPTWRVDVKZ-GASCZTMLSA-N 0 3 294.439 2.300 20 30 CEEDHN O=C(C#CC1CC1)NC[C@H]1CCN(Cc2ccsc2)C1 ZINC001266514268 802663735 /nfs/dbraw/zinc/66/37/35/802663735.db2.gz ORYSIABYDFRSQA-CQSZACIVSA-N 0 3 288.416 2.100 20 30 CEEDHN C#CCN1CC[C@H](CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001266545700 802700439 /nfs/dbraw/zinc/70/04/39/802700439.db2.gz PJHHMNSLHQOBAU-CABCVRRESA-N 0 3 264.413 2.130 20 30 CEEDHN COCC#CCN[C@H]1CCN(C(=O)CCCCC(C)C)C1 ZINC001266555434 802712819 /nfs/dbraw/zinc/71/28/19/802712819.db2.gz XUOGLUMVVSXVRG-INIZCTEOSA-N 0 3 294.439 2.043 20 30 CEEDHN C#CCCN1CC[C@@]2(C1)C[C@H](NC(C)=O)c1ccccc1O2 ZINC001098542265 802721083 /nfs/dbraw/zinc/72/10/83/802721083.db2.gz XPMSGYDTJMMHSS-WMZOPIPTSA-N 0 3 298.386 2.114 20 30 CEEDHN C#CCN(CCC)CCNC(=O)C1(CCC)CCC1 ZINC001266568045 802724712 /nfs/dbraw/zinc/72/47/12/802724712.db2.gz CHXZQBFTJZJHPP-UHFFFAOYSA-N 0 3 264.413 2.418 20 30 CEEDHN C=CCCC(=O)N[C@H]1C[C@H](NCc2c(C)onc2CC)C1 ZINC001266580678 802738682 /nfs/dbraw/zinc/73/86/82/802738682.db2.gz DWGSIPWESYKNRZ-JOCQHMNTSA-N 0 3 291.395 2.248 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCOCC(C)C)C1 ZINC001266670565 802828624 /nfs/dbraw/zinc/82/86/24/802828624.db2.gz XTAXARSZNWETEY-BETUJISGSA-N 0 3 288.819 2.038 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)C(C)(C)CC)C1 ZINC001266761154 802885537 /nfs/dbraw/zinc/88/55/37/802885537.db2.gz VESQMHXBEABLOB-CQSZACIVSA-N 0 3 264.413 2.274 20 30 CEEDHN CC[C@@H](NCc1nc(C#N)cs1)[C@H]1CCCOC1 ZINC000723952192 802973285 /nfs/dbraw/zinc/97/32/85/802973285.db2.gz BIRSKIYFSPFGJJ-CMPLNLGQSA-N 0 3 265.382 2.310 20 30 CEEDHN CC(C)C#CC(=O)NC[C@H](C)NCc1cc(F)cc(F)c1 ZINC001266935367 803010652 /nfs/dbraw/zinc/01/06/52/803010652.db2.gz JWSXWDVHRQPRIM-LBPRGKRZSA-N 0 3 294.345 2.219 20 30 CEEDHN CC#CCN[C@H](C)CNC(=O)CCCc1ccc(F)cc1 ZINC001266973309 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ZINC001042008136 803194890 /nfs/dbraw/zinc/19/48/90/803194890.db2.gz ZJECZFMIIBNYND-DLBZAZTESA-N 0 3 286.419 2.433 20 30 CEEDHN CCc1ccc(CN(C)CCNC(=O)C#CC(C)C)cc1 ZINC001267195254 803219966 /nfs/dbraw/zinc/21/99/66/803219966.db2.gz SVJRCICDIRDPQC-UHFFFAOYSA-N 0 3 286.419 2.456 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)C[C@@H]1Cc2ccccc2O1 ZINC001267198443 803223861 /nfs/dbraw/zinc/22/38/61/803223861.db2.gz PTGVTQQOVCMEHZ-HNNXBMFYSA-N 0 3 288.391 2.004 20 30 CEEDHN C#CCCN(C)CCNC(=O)CCc1ccc(Cl)cc1 ZINC001267209155 803234200 /nfs/dbraw/zinc/23/42/00/803234200.db2.gz LQEWKMVZIJAGOT-UHFFFAOYSA-N 0 3 292.810 2.344 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)C[C@H]1CC=CCC1 ZINC001267213066 803237459 /nfs/dbraw/zinc/23/74/59/803237459.db2.gz YXYKFALQQFVORQ-AWEZNQCLSA-N 0 3 250.386 2.357 20 30 CEEDHN C#CCCN(C)CCNC(=O)c1cccc(Cl)c1F ZINC001267213915 803239316 /nfs/dbraw/zinc/23/93/16/803239316.db2.gz FDVIHWTWFDKGBR-UHFFFAOYSA-N 0 3 282.746 2.164 20 30 CEEDHN C=C(C)CN(C)CCNC(=O)c1ccc2ccn(C)c2c1 ZINC001267224581 803250394 /nfs/dbraw/zinc/25/03/94/803250394.db2.gz FKRHDJFPNRNITL-UHFFFAOYSA-N 0 3 285.391 2.416 20 30 CEEDHN CCN(CCNC(=O)C#CC(C)C)Cc1ccccc1 ZINC001267241248 803279100 /nfs/dbraw/zinc/27/91/00/803279100.db2.gz PXDCFVVSPILOBD-UHFFFAOYSA-N 0 3 272.392 2.284 20 30 CEEDHN CC#CCN(CCC)CCNC(=O)c1cccc(C)c1 ZINC001267310049 803354057 /nfs/dbraw/zinc/35/40/57/803354057.db2.gz YXLVIYLLGZUTKH-UHFFFAOYSA-N 0 3 272.392 2.460 20 30 CEEDHN C#CCN(CCC)CCNC(=O)C[C@@H]1CCC[C@H]1C ZINC001267314506 803358238 /nfs/dbraw/zinc/35/82/38/803358238.db2.gz QJKLQEXDDPQDEK-CABCVRRESA-N 0 3 264.413 2.274 20 30 CEEDHN C#CCN(CCC)CCNC(=O)C[C@H]1CCC[C@H]1C ZINC001267314509 803358633 /nfs/dbraw/zinc/35/86/33/803358633.db2.gz QJKLQEXDDPQDEK-HUUCEWRRSA-N 0 3 264.413 2.274 20 30 CEEDHN C=CCOc1ccccc1CN[C@H]1CC12CC(O)C2 ZINC000724952867 803360635 /nfs/dbraw/zinc/36/06/35/803360635.db2.gz KIYHTPLLDVGMSX-SIWZUTFBSA-N 0 3 259.349 2.254 20 30 CEEDHN C=CCN(CCNC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001267332245 803376136 /nfs/dbraw/zinc/37/61/36/803376136.db2.gz IEDYNSTZIWKYTF-UHFFFAOYSA-N 0 3 267.760 2.048 20 30 CEEDHN CCCCC(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001267348972 803397495 /nfs/dbraw/zinc/39/74/95/803397495.db2.gz MRDURMVGYOENKG-UHFFFAOYSA-N 0 3 291.370 2.436 20 30 CEEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)CC3CC3)C(C)(C)[C@H]21 ZINC001087268931 803490070 /nfs/dbraw/zinc/49/00/70/803490070.db2.gz ZHAGLLVZEYRPNT-BMFZPTHFSA-N 0 3 274.408 2.025 20 30 CEEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)CCC(F)F)C1 ZINC001267473162 803498613 /nfs/dbraw/zinc/49/86/13/803498613.db2.gz AXUCIUPJCFMAQQ-CYBMUJFWSA-N 0 3 286.366 2.368 20 30 CEEDHN C=C(C)CN[C@H](CNC(=O)C(F)F)c1ccccc1 ZINC001267516624 803520858 /nfs/dbraw/zinc/52/08/58/803520858.db2.gz FSDXRPMAROZMIF-GFCCVEGCSA-N 0 3 268.307 2.275 20 30 CEEDHN C=CCN[C@@H](CNC(=O)c1ccnnc1C)c1ccccc1 ZINC001267519354 803522811 /nfs/dbraw/zinc/52/28/11/803522811.db2.gz DOWDUXJYAGQHEK-INIZCTEOSA-N 0 3 296.374 2.032 20 30 CEEDHN Cc1ccc(-n2nc(CN)c3ccccc32)c(C#N)n1 ZINC001167697498 803571715 /nfs/dbraw/zinc/57/17/15/803571715.db2.gz CDRDJOJCBUQHBB-UHFFFAOYSA-N 0 3 263.304 2.059 20 30 CEEDHN C#CCCN1CC(CNC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001267685541 803657916 /nfs/dbraw/zinc/65/79/16/803657916.db2.gz DIEVVNRZVPZGQU-UHFFFAOYSA-N 0 3 296.414 2.178 20 30 CEEDHN C=CCOCCN1CC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC001267738150 803688292 /nfs/dbraw/zinc/68/82/92/803688292.db2.gz APNCQSIMBIOPGI-MRXNPFEDSA-N 0 3 292.423 2.270 20 30 CEEDHN C#CCCN1CC[C@H](N(CC)C(=O)CC2CCC2)C1 ZINC001267785780 803732778 /nfs/dbraw/zinc/73/27/78/803732778.db2.gz RNGUQKSCRCDNPZ-HNNXBMFYSA-N 0 3 262.397 2.123 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H](C)CCC)C1 ZINC001267919688 803818993 /nfs/dbraw/zinc/81/89/93/803818993.db2.gz OZFAMCYTWPCBRV-ZIAGYGMSSA-N 0 3 250.386 2.027 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C)C[C@@H]21 ZINC001042324611 803830392 /nfs/dbraw/zinc/83/03/92/803830392.db2.gz XJXQHDOLJQQHKC-OLZOCXBDSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCCC(=O)N1C[C@H](NC/C=C\Cl)C[C@H]1C ZINC001283965572 803839638 /nfs/dbraw/zinc/83/96/38/803839638.db2.gz PSMYEZMERCNMNY-LWSHCTJVSA-N 0 3 256.777 2.284 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)C=C2CCCCC2)C1 ZINC001027323246 804038259 /nfs/dbraw/zinc/03/82/59/804038259.db2.gz LZGSKJGYCRXHBK-INIZCTEOSA-N 0 3 274.408 2.433 20 30 CEEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)Cc2ccsc2)C1 ZINC001027330549 804041549 /nfs/dbraw/zinc/04/15/49/804041549.db2.gz SGJWTEVRDBNQPJ-GXTWGEPZSA-N 0 3 291.420 2.331 20 30 CEEDHN C=C[C@H](COC)NC[C@H](O)Cc1cccc(Cl)c1 ZINC001118155953 814989201 /nfs/dbraw/zinc/98/92/01/814989201.db2.gz OUKFZVSLDJXHEM-ZIAGYGMSSA-N 0 3 269.772 2.034 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(CC)o2)C1 ZINC001027467710 804081741 /nfs/dbraw/zinc/08/17/41/804081741.db2.gz RTYNCHRGBKNLDQ-CYBMUJFWSA-N 0 3 274.364 2.012 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001027567435 804127938 /nfs/dbraw/zinc/12/79/38/804127938.db2.gz QZICJEUNKUBFDE-UXLLHSPISA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001027570680 804128942 /nfs/dbraw/zinc/12/89/42/804128942.db2.gz AMCYLTYHMYTTLP-KBPBESRZSA-N 0 3 298.377 2.368 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001038752655 804133273 /nfs/dbraw/zinc/13/32/73/804133273.db2.gz QDBXENWBMHJFKK-UONOGXRCSA-N 0 3 262.397 2.333 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C(C)(C)C(C)(F)F)C1 ZINC001027667600 804186121 /nfs/dbraw/zinc/18/61/21/804186121.db2.gz XFHWEQQQTYAWIS-GFCCVEGCSA-N 0 3 286.366 2.224 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCc2ccc(C)o2)C1 ZINC001027692435 804196412 /nfs/dbraw/zinc/19/64/12/804196412.db2.gz JBFXBDBCHWRPCU-OAHLLOKOSA-N 0 3 288.391 2.077 20 30 CEEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2sccc2CC)C1 ZINC001027692668 804196473 /nfs/dbraw/zinc/19/64/73/804196473.db2.gz NXAIZNHYIHYMOZ-AWEZNQCLSA-N 0 3 290.432 2.480 20 30 CEEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c(C)cccc2F)C1 ZINC001027705602 804202647 /nfs/dbraw/zinc/20/26/47/804202647.db2.gz SLGAOXFLJFXNQP-CQSZACIVSA-N 0 3 288.366 2.304 20 30 CEEDHN C=C(C)CCN1CCC[C@H]1CNC(=O)c1snnc1C ZINC001027747578 804233508 /nfs/dbraw/zinc/23/35/08/804233508.db2.gz PMIOGUVLYVZRMX-LBPRGKRZSA-N 0 3 294.424 2.007 20 30 CEEDHN C=CCCN1CCC[C@H]1CNC(=O)c1scnc1C ZINC001027769840 804248252 /nfs/dbraw/zinc/24/82/52/804248252.db2.gz ZTSBNNLUVDAEMG-LBPRGKRZSA-N 0 3 279.409 2.222 20 30 CEEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001027809495 804269059 /nfs/dbraw/zinc/26/90/59/804269059.db2.gz WDWFWKZRTRQKFK-BYNSBNAKSA-N 0 3 262.397 2.189 20 30 CEEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccsc1C ZINC001027874245 804312477 /nfs/dbraw/zinc/31/24/77/804312477.db2.gz KYDXLMWIUNJEKH-CYBMUJFWSA-N 0 3 276.405 2.274 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001027948331 804359343 /nfs/dbraw/zinc/35/93/43/804359343.db2.gz GDZMCAPLUSTERO-KRWDZBQOSA-N 0 3 299.418 2.252 20 30 CEEDHN C[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccns1 ZINC000715965853 815011979 /nfs/dbraw/zinc/01/19/79/815011979.db2.gz LLNPEQFRZPEXLQ-MFKMUULPSA-N 0 3 273.361 2.399 20 30 CEEDHN C#CCCN1CCC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001027971218 804370129 /nfs/dbraw/zinc/37/01/29/804370129.db2.gz CBUWEDUGPJKTRC-CKDBGZEDSA-N 0 3 274.408 2.171 20 30 CEEDHN CC[C@@H](C)CC(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001126306278 804420550 /nfs/dbraw/zinc/42/05/50/804420550.db2.gz DLELNWCXUSVBHD-GFCCVEGCSA-N 0 3 291.370 2.339 20 30 CEEDHN CC[C@H](C)CC(=O)NCCNCc1cccc(C#N)c1 ZINC001126306189 804421065 /nfs/dbraw/zinc/42/10/65/804421065.db2.gz AUIRRXKBPILUFJ-ZDUSSCGKSA-N 0 3 273.380 2.200 20 30 CEEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc2n[nH]cc21 ZINC001028065885 804423450 /nfs/dbraw/zinc/42/34/50/804423450.db2.gz NBUCKWJXSRJLKF-CYBMUJFWSA-N 0 3 298.390 2.333 20 30 CEEDHN N#CCCOc1ccc(NCCN2CCSCC2)cc1 ZINC001167837808 804433441 /nfs/dbraw/zinc/43/34/41/804433441.db2.gz XAIVJXSPYAGMQM-UHFFFAOYSA-N 0 3 291.420 2.440 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](CC)CCC)C1 ZINC001268112898 804449860 /nfs/dbraw/zinc/44/98/60/804449860.db2.gz WNNYDLYDZFBIFJ-LSDHHAIUSA-N 0 3 264.413 2.417 20 30 CEEDHN 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C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccn1CC ZINC001268422400 804663884 /nfs/dbraw/zinc/66/38/84/804663884.db2.gz BEWCFXAHZZOQED-GFCCVEGCSA-N 0 3 283.803 2.359 20 30 CEEDHN C#CCN(Cc1ccnn1-c1ccncc1)CC1CC1 ZINC001118635001 815032400 /nfs/dbraw/zinc/03/24/00/815032400.db2.gz UEPQOPNEECLIMN-UHFFFAOYSA-N 0 3 266.348 2.113 20 30 CEEDHN C[C@@H](C#N)C(=O)NC/C=C/CNCc1ccc(Cl)s1 ZINC001268518203 804799922 /nfs/dbraw/zinc/79/99/22/804799922.db2.gz GHKNDJVEORIIII-PBKGFPTLSA-N 0 3 297.811 2.323 20 30 CEEDHN C#CCNC/C=C/CNC(=O)c1cc2ccccc2nc1C ZINC001268544332 804813133 /nfs/dbraw/zinc/81/31/33/804813133.db2.gz CSMDWGCNNJMHKX-VOTSOKGWSA-N 0 3 293.370 2.052 20 30 CEEDHN CC#CCNC/C=C/CNC(=O)c1cc2occc2s1 ZINC001268591451 804861221 /nfs/dbraw/zinc/86/12/21/804861221.db2.gz QQOYRTAHFPTHOH-SNAWJCMRSA-N 0 3 288.372 2.393 20 30 CEEDHN CC#CCNC/C=C\CNC(=O)c1ccc(C2CC2)nc1C ZINC001268593259 804864786 /nfs/dbraw/zinc/86/47/86/804864786.db2.gz SSUWBYKPMUTKOL-WAYWQWQTSA-N 0 3 297.402 2.166 20 30 CEEDHN 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275.396 2.198 20 30 CEEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](C)C(CC)CC)[C@H](OC)C1 ZINC001212491879 809034122 /nfs/dbraw/zinc/03/41/22/809034122.db2.gz PTQPXKNMPNGZOE-NUEKZKHPSA-N 0 3 296.455 2.450 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@@H]2C=CCC2)C1 ZINC001032897970 809110683 /nfs/dbraw/zinc/11/06/83/809110683.db2.gz CPODXEHEYDXBIQ-HUUCEWRRSA-N 0 3 262.397 2.452 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc(C)n2)C1 ZINC001032922808 809119087 /nfs/dbraw/zinc/11/90/87/809119087.db2.gz MZUYBCZZKUKDFC-AWEZNQCLSA-N 0 3 273.380 2.112 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(C)c(F)c2)C1 ZINC001033242839 809246207 /nfs/dbraw/zinc/24/62/07/809246207.db2.gz NVMZXVBACPHCCO-OAHLLOKOSA-N 0 3 288.366 2.304 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(Cl)cn2C)C1 ZINC001033242776 809246442 /nfs/dbraw/zinc/24/64/42/809246442.db2.gz JWOHWDLIPOTWGK-CYBMUJFWSA-N 0 3 295.814 2.401 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCc3cccnc32)C1 ZINC001033366254 809281821 /nfs/dbraw/zinc/28/18/21/809281821.db2.gz OJUAOZQQPPMSMP-HZPDHXFCSA-N 0 3 299.418 2.220 20 30 CEEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2Cc3ccccc32)C1 ZINC001033372213 809286286 /nfs/dbraw/zinc/28/62/86/809286286.db2.gz FNGFLMGRIIXJGM-WBVHZDCISA-N 0 3 284.403 2.435 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001033434850 809297801 /nfs/dbraw/zinc/29/78/01/809297801.db2.gz FSIGKGNEQTWONH-HZSPNIEDSA-N 0 3 250.386 2.141 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001033565451 809338303 /nfs/dbraw/zinc/33/83/03/809338303.db2.gz FKNKSMXVCZVIEM-HNNXBMFYSA-N 0 3 299.418 2.063 20 30 CEEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC001033576029 809343861 /nfs/dbraw/zinc/34/38/61/809343861.db2.gz TWUXINQSTSZZQV-GDBMZVCRSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccoc2CCC)C1 ZINC001033581684 809345078 /nfs/dbraw/zinc/34/50/78/809345078.db2.gz LMBNFOPJEASPOJ-AWEZNQCLSA-N 0 3 288.391 2.402 20 30 CEEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)c2cccnc2)C1 ZINC001033590278 809349794 /nfs/dbraw/zinc/34/97/94/809349794.db2.gz QXWGACVGKBKPCW-ZBFHGGJFSA-N 0 3 287.407 2.294 20 30 CEEDHN C#CCCN1CC[C@H](N(C)C(=O)c2c(C)cccc2F)C1 ZINC001033714314 809389453 /nfs/dbraw/zinc/38/94/53/809389453.db2.gz YLLXPJCQOLRPTL-AWEZNQCLSA-N 0 3 288.366 2.304 20 30 CEEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(Cl)c[nH]2)C1 ZINC001033742478 809400756 /nfs/dbraw/zinc/40/07/56/809400756.db2.gz MERHQMAYBPLUNI-CYBMUJFWSA-N 0 3 293.798 2.228 20 30 CEEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccn(C)c2)C1 ZINC001033790118 809416933 /nfs/dbraw/zinc/41/69/33/809416933.db2.gz YHVWIGAIDKEKGT-HNNXBMFYSA-N 0 3 275.396 2.138 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)C2CC(C)C2)C1 ZINC001034157152 809529566 /nfs/dbraw/zinc/52/95/66/809529566.db2.gz YFKWVLWFRVCOIT-JXQTWKCFSA-N 0 3 250.386 2.189 20 30 CEEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC001034228573 809557223 /nfs/dbraw/zinc/55/72/23/809557223.db2.gz XQYBABKTEQPAQC-MRXNPFEDSA-N 0 3 287.407 2.469 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC001034277643 809568918 /nfs/dbraw/zinc/56/89/18/809568918.db2.gz RLZKTDZHMQJIPT-AWEZNQCLSA-N 0 3 275.396 2.402 20 30 CEEDHN C#Cc1cncc(C(=O)N[C@H]2CCCCN(CC(=C)C)C2)c1 ZINC001034392792 809595581 /nfs/dbraw/zinc/59/55/81/809595581.db2.gz OWFYQAWEDSFGIZ-KRWDZBQOSA-N 0 3 297.402 2.223 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc(OC)c2)C1 ZINC001034507925 809621441 /nfs/dbraw/zinc/62/14/41/809621441.db2.gz VJEDERBAHTYTML-HNNXBMFYSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCN1CCCC[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC001034528967 809624614 /nfs/dbraw/zinc/62/46/14/809624614.db2.gz VQVNTKQGSIJNPF-ZDUSSCGKSA-N 0 3 261.369 2.093 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C2=CCCCCC2)[C@@H](O)C1 ZINC001090220738 809628351 /nfs/dbraw/zinc/62/83/51/809628351.db2.gz CSHKPTGYSKWJDI-HOTGVXAUSA-N 0 3 292.423 2.004 20 30 CEEDHN CC#CCNC1(CNC(=O)C2(C(F)F)CCCC2)CCC1 ZINC001273140887 809702044 /nfs/dbraw/zinc/70/20/44/809702044.db2.gz FLCCAOZHEWSVGT-UHFFFAOYSA-N 0 3 298.377 2.464 20 30 CEEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cocc1C)CC2 ZINC001035768754 809812801 /nfs/dbraw/zinc/81/28/01/809812801.db2.gz PLAHJNXPCWVHKQ-UHFFFAOYSA-N 0 3 286.375 2.149 20 30 CEEDHN CCCCN(CCC#N)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172179043 815331825 /nfs/dbraw/zinc/33/18/25/815331825.db2.gz QJVGFLVYEUCFCL-UONOGXRCSA-N 0 3 263.385 2.156 20 30 CEEDHN C#CC1(O)CCN(CCOc2cc(C)cc(C)c2)CC1 ZINC000708106107 809921333 /nfs/dbraw/zinc/92/13/33/809921333.db2.gz FJPJUMWGDYBBJM-UHFFFAOYSA-N 0 3 273.376 2.142 20 30 CEEDHN C=C(C)CCN1C[C@@H](C)[C@H](NC(=O)c2ccns2)C1 ZINC001079790832 810233371 /nfs/dbraw/zinc/23/33/71/810233371.db2.gz BRSRJZITQNKPCK-VXGBXAGGSA-N 0 3 279.409 2.159 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001080270204 810261415 /nfs/dbraw/zinc/26/14/15/810261415.db2.gz PTKUTLSHYRKEAJ-RBSFLKMASA-N 0 3 262.397 2.355 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001015173877 810264601 /nfs/dbraw/zinc/26/46/01/810264601.db2.gz JCEFRCCMBSDNPT-KRWDZBQOSA-N 0 3 296.414 2.322 20 30 CEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001080335481 810271736 /nfs/dbraw/zinc/27/17/36/810271736.db2.gz LSHPFKFGGOTBQL-XFBWCDHKSA-N 0 3 288.366 2.088 20 30 CEEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CCC(OC)CC2)C1 ZINC001080353042 810273284 /nfs/dbraw/zinc/27/32/84/810273284.db2.gz AXNBVRFQMAYIBR-PRLABOORSA-N 0 3 294.439 2.204 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001080428407 810278238 /nfs/dbraw/zinc/27/82/38/810278238.db2.gz ZRWRINULSSRQRZ-UMVBOHGHSA-N 0 3 290.432 2.311 20 30 CEEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001080843708 810314018 /nfs/dbraw/zinc/31/40/18/810314018.db2.gz UATHKPZAKCGLGI-NVXWUHKLSA-N 0 3 284.403 2.377 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001015646636 810322292 /nfs/dbraw/zinc/32/22/92/810322292.db2.gz RULJZUHENSSZDA-KRWDZBQOSA-N 0 3 284.403 2.060 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC001015643946 810322360 /nfs/dbraw/zinc/32/23/60/810322360.db2.gz WSPKQVBSNNVHHJ-AWEZNQCLSA-N 0 3 288.391 2.384 20 30 CEEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@H]1c1ccccc1 ZINC001081107817 810332952 /nfs/dbraw/zinc/33/29/52/810332952.db2.gz HLTMQDXSYIKQEM-GVDBMIGSSA-N 0 3 296.414 2.250 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001015689247 810333726 /nfs/dbraw/zinc/33/37/26/810333726.db2.gz KGTOJXFFQQCVMO-TZMCWYRMSA-N 0 3 276.405 2.065 20 30 CEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001015711370 810339316 /nfs/dbraw/zinc/33/93/16/810339316.db2.gz GCPJYXNZAWPOPV-SNVBAGLBSA-N 0 3 299.321 2.383 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001015736340 810343035 /nfs/dbraw/zinc/34/30/35/810343035.db2.gz FPGFUGFHZMXROW-BFHYXJOUSA-N 0 3 274.364 2.150 20 30 CEEDHN C#CCCN1CC[C@@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001015812455 810359188 /nfs/dbraw/zinc/35/91/88/810359188.db2.gz XRBVWDUOIRDIOT-SWKXRBFHSA-N 0 3 288.435 2.417 20 30 CEEDHN C=C(C)CCN1C[C@@H](NC(=O)C2(C)CCCC2)[C@H](OC)C1 ZINC001081997420 810359970 /nfs/dbraw/zinc/35/99/70/810359970.db2.gz ANGIKXKNGZCAAD-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001015951744 810377060 /nfs/dbraw/zinc/37/70/60/810377060.db2.gz SASDKHMJXNNDAI-KGLIPLIRSA-N 0 3 262.397 2.333 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001015965871 810379390 /nfs/dbraw/zinc/37/93/90/810379390.db2.gz XYLSLDQDMKXDCJ-AWEZNQCLSA-N 0 3 262.397 2.189 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC001084162753 810440921 /nfs/dbraw/zinc/44/09/21/810440921.db2.gz YYXALJLCALCLSJ-HZPDHXFCSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)C2C(C)(C)C2(C)C)CC1 ZINC001016554851 810451532 /nfs/dbraw/zinc/45/15/32/810451532.db2.gz QGOWGUFWCZZMHG-CYBMUJFWSA-N 0 3 288.435 2.273 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@]2(C)CC=CCC2)CC1 ZINC001016647196 810459403 /nfs/dbraw/zinc/45/94/03/810459403.db2.gz WOYMEUAPYWBROK-DOTOQJQBSA-N 0 3 286.419 2.337 20 30 CEEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H]2CCCC23CC3)CC1 ZINC001016685942 810461513 /nfs/dbraw/zinc/46/15/13/810461513.db2.gz SUTMVHRARZOUDW-HUUCEWRRSA-N 0 3 286.419 2.171 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C2(C)CCCC2)CC1 ZINC001016755649 810466276 /nfs/dbraw/zinc/46/62/76/810466276.db2.gz GOOWPXCZZCMVCN-AWEZNQCLSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C2CC3(CCC3)C2)CC1 ZINC001016766898 810466368 /nfs/dbraw/zinc/46/63/68/810466368.db2.gz QCJUTALVUQWPHZ-HNNXBMFYSA-N 0 3 286.419 2.171 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)[C@@]2(C)C=CCC2)CC1 ZINC001016770095 810466945 /nfs/dbraw/zinc/46/69/45/810466945.db2.gz DYSZNGFVEJRKPN-WBVHZDCISA-N 0 3 286.419 2.337 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](C)C2CCCC2)CC1 ZINC001016922500 810476755 /nfs/dbraw/zinc/47/67/55/810476755.db2.gz DSCGRQSMGGBEQT-HOCLYGCPSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)C3(C)CCCC3)[C@@H]2C1 ZINC001084555897 810479388 /nfs/dbraw/zinc/47/93/88/810479388.db2.gz VSEMZHFIBJCOAB-HUUCEWRRSA-N 0 3 274.408 2.123 20 30 CEEDHN C#CCN1CCC[C@H](NCc2ncccc2C(F)(F)F)C1 ZINC001119440312 810479430 /nfs/dbraw/zinc/47/94/30/810479430.db2.gz HAQCVYWRHRNODU-LBPRGKRZSA-N 0 3 297.324 2.288 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCN(C[C@@H](CC)OC)C[C@H]21 ZINC001084578311 810481244 /nfs/dbraw/zinc/48/12/44/810481244.db2.gz UXEQRUZCCUGXBX-RBSFLKMASA-N 0 3 294.439 2.156 20 30 CEEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCN(CCCF)C[C@H]32)C1 ZINC001084645841 810493552 /nfs/dbraw/zinc/49/35/52/810493552.db2.gz GTUWROBFJJTHDY-ZIAGYGMSSA-N 0 3 280.387 2.235 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N(CC)Cc1ccccn1 ZINC001122004173 815376529 /nfs/dbraw/zinc/37/65/29/815376529.db2.gz ISOVAFGHQAFJNQ-AWEZNQCLSA-N 0 3 261.369 2.114 20 30 CEEDHN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(C)c(C)c3)[C@@H]2C1 ZINC001084809477 810523788 /nfs/dbraw/zinc/52/37/88/810523788.db2.gz PTDLQPQMSFQLLA-QZTJIDSGSA-N 0 3 296.414 2.473 20 30 CEEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CCOC ZINC001230573091 810547375 /nfs/dbraw/zinc/54/73/75/810547375.db2.gz QGGFKKUIZGGJPG-HNNXBMFYSA-N 0 3 282.428 2.302 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)C3CCC3)C[C@@H]21 ZINC001084969800 810554584 /nfs/dbraw/zinc/55/45/84/810554584.db2.gz YKSVOAYQZOFUNV-UAGQMJEPSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](F)C(C)C)C[C@@H]21 ZINC001085011765 810564934 /nfs/dbraw/zinc/56/49/34/810564934.db2.gz YOWDAACTRZLSDZ-RDBSUJKOSA-N 0 3 268.376 2.089 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)c1cccnc1 ZINC001122029102 815379818 /nfs/dbraw/zinc/37/98/18/815379818.db2.gz ZOKICBSFDFQQPB-TZMCWYRMSA-N 0 3 261.369 2.285 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](CC)OCC ZINC001231025112 810576646 /nfs/dbraw/zinc/57/66/46/810576646.db2.gz HWTLJIGATWBOQW-CABCVRRESA-N 0 3 282.428 2.300 20 30 CEEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)C ZINC001085137436 810611009 /nfs/dbraw/zinc/61/10/09/810611009.db2.gz OESVCXMHNRPUAS-VXGBXAGGSA-N 0 3 258.793 2.412 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cnccn1 ZINC001172294162 815385567 /nfs/dbraw/zinc/38/55/67/815385567.db2.gz GIKVPDJEJBZBGB-GFCCVEGCSA-N 0 3 252.321 2.069 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2scc(C)c2Cl)C1 ZINC001018902758 810663010 /nfs/dbraw/zinc/66/30/10/810663010.db2.gz MWDKQGZOYMWOOR-JTQLQIEISA-N 0 3 282.796 2.147 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)c2cc3ccccc3cc2F)C1 ZINC001019131302 810678534 /nfs/dbraw/zinc/67/85/34/810678534.db2.gz RHVQWKDUYQXIAR-HNNXBMFYSA-N 0 3 296.345 2.416 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(CC)c1O ZINC001122226729 815394123 /nfs/dbraw/zinc/39/41/23/815394123.db2.gz KGOJBEDCYLVLBJ-SNVBAGLBSA-N 0 3 268.744 2.363 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C23CCC(CC2)C3(C)C)C1 ZINC001019483338 810714946 /nfs/dbraw/zinc/71/49/46/810714946.db2.gz OPPHPJBRDJGPPK-UUCFBXCCSA-N 0 3 274.408 2.027 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@](C)(C(F)(F)F)C1 ZINC001122203326 815392667 /nfs/dbraw/zinc/39/26/67/815392667.db2.gz MUUXDCIIXNRXSV-CMPLNLGQSA-N 0 3 278.318 2.471 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)CCc2ccccc2Cl)C1 ZINC001019747065 810736838 /nfs/dbraw/zinc/73/68/38/810736838.db2.gz SWVXTAGPBKVHSF-AWEZNQCLSA-N 0 3 290.794 2.096 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001020054212 810764562 /nfs/dbraw/zinc/76/45/62/810764562.db2.gz HWRQAFBVOBFEKW-HAQNSBGRSA-N 0 3 282.771 2.499 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)sn2)C1 ZINC001020106366 810769119 /nfs/dbraw/zinc/76/91/19/810769119.db2.gz FCEXKKZPUQUCLA-MGCOHNPYSA-N 0 3 285.800 2.054 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(Cl)c[nH]1 ZINC001085474627 810777733 /nfs/dbraw/zinc/77/77/33/810777733.db2.gz HVVJGZSHPVIYOK-GFCCVEGCSA-N 0 3 281.787 2.391 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC001020197702 810778008 /nfs/dbraw/zinc/77/80/08/810778008.db2.gz PSKQWWNOWGQFAJ-HDJSIYSDSA-N 0 3 293.798 2.301 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1c(C)noc1C ZINC001085481777 810782228 /nfs/dbraw/zinc/78/22/28/810782228.db2.gz PHDLCHNBRWAUTF-AWEZNQCLSA-N 0 3 291.395 2.404 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001020302002 810788548 /nfs/dbraw/zinc/78/85/48/810788548.db2.gz BZADYMZRUSJKIC-XYPYZODXSA-N 0 3 282.771 2.445 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001020308746 810789339 /nfs/dbraw/zinc/78/93/39/810789339.db2.gz OOEBQHQLQZWCTD-XYPYZODXSA-N 0 3 292.757 2.411 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCCO1 ZINC001085545280 810819030 /nfs/dbraw/zinc/81/90/30/810819030.db2.gz GYXDFEXXDUEEML-CABCVRRESA-N 0 3 280.412 2.054 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1cnn2ccc(C)cc12 ZINC001038371398 810830729 /nfs/dbraw/zinc/83/07/29/810830729.db2.gz LJXDEUMMJBEBMS-AWEZNQCLSA-N 0 3 298.390 2.023 20 30 CEEDHN CC1(C)CN(C(=O)[C@@H](N)CCCC#N)[C@@H]2CCC[C@@H]21 ZINC001122327575 815402661 /nfs/dbraw/zinc/40/26/61/815402661.db2.gz MTOBLQAGKCGDJJ-RWMBFGLXSA-N 0 3 263.385 2.045 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cccc2c[nH]nc21 ZINC001038578625 810868616 /nfs/dbraw/zinc/86/86/16/810868616.db2.gz NGMSBAONYJEPJC-AWEZNQCLSA-N 0 3 298.390 2.333 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001038645691 810876679 /nfs/dbraw/zinc/87/66/79/810876679.db2.gz NCYWSPFUSULADT-HOCLYGCPSA-N 0 3 288.366 2.232 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccn(C)c1C ZINC001038673567 810886577 /nfs/dbraw/zinc/88/65/77/810886577.db2.gz JIXNTNYMTSRIKF-CQSZACIVSA-N 0 3 275.396 2.104 20 30 CEEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1cncs1 ZINC001122378198 815407146 /nfs/dbraw/zinc/40/71/46/815407146.db2.gz XXIYEDPBEMTCSM-UWVGGRQHSA-N 0 3 253.371 2.004 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1conc1CC ZINC001085804886 810921841 /nfs/dbraw/zinc/92/18/41/810921841.db2.gz SOQKQRLVXXRTIN-CYBMUJFWSA-N 0 3 291.395 2.350 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1CC2(CC2)C1 ZINC001085811748 810927239 /nfs/dbraw/zinc/92/72/39/810927239.db2.gz LVBTWMAZXOLJHU-AWEZNQCLSA-N 0 3 262.397 2.285 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC001038902286 810940559 /nfs/dbraw/zinc/94/05/59/810940559.db2.gz FEBBAALAPXFTBU-CYBMUJFWSA-N 0 3 290.411 2.222 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001038902286 810940567 /nfs/dbraw/zinc/94/05/67/810940567.db2.gz FEBBAALAPXFTBU-CYBMUJFWSA-N 0 3 290.411 2.222 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCN2CCC(C)(C)C)cn1 ZINC001038930278 810948400 /nfs/dbraw/zinc/94/84/00/810948400.db2.gz BWNBHDYONZCJFG-MRXNPFEDSA-N 0 3 299.418 2.303 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001038947548 810952976 /nfs/dbraw/zinc/95/29/76/810952976.db2.gz CUHZPKRLYJBYTK-OAHLLOKOSA-N 0 3 258.365 2.375 20 30 CEEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc2c(c1)N(C)CC2 ZINC001038978323 810962884 /nfs/dbraw/zinc/96/28/84/810962884.db2.gz VSNKQFYRZDPBSC-INIZCTEOSA-N 0 3 299.418 2.059 20 30 CEEDHN CN(CCOC(C)(C)C)C[C@H](O)c1cccc(C#N)c1 ZINC000689926235 810991185 /nfs/dbraw/zinc/99/11/85/810991185.db2.gz AJKXXBDNWSRWIA-HNNXBMFYSA-N 0 3 276.380 2.339 20 30 CEEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)C2CCC2)C1 ZINC001039178299 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C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001086209765 811061415 /nfs/dbraw/zinc/06/14/15/811061415.db2.gz NDQLOXAFUAITPU-GRYCIOLGSA-N 0 3 268.788 2.023 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(C)C ZINC001039922646 811068559 /nfs/dbraw/zinc/06/85/59/811068559.db2.gz GJQOYTVCDYVKIM-QXSJWSMHSA-N 0 3 292.423 2.051 20 30 CEEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3cccnc3)C2)C1 ZINC001040039564 811076770 /nfs/dbraw/zinc/07/67/70/811076770.db2.gz IIJHXQTUSCTHEC-KRWDZBQOSA-N 0 3 285.391 2.196 20 30 CEEDHN C#CCN1CCC[C@]2(CCN(C(=O)C3CC(C)(C)C3)C2)C1 ZINC001040188078 811095466 /nfs/dbraw/zinc/09/54/66/811095466.db2.gz OFBWPCFWHWRNNM-SFHVURJKSA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2[nH]ccc2C)C1 ZINC001086354604 811114816 /nfs/dbraw/zinc/11/48/16/811114816.db2.gz PGCWTBWQUUVIND-HAQNSBGRSA-N 0 3 281.787 2.174 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)[C@H](CC)SC)C2)CC1 ZINC001040672060 811122145 /nfs/dbraw/zinc/12/21/45/811122145.db2.gz RJVUPVZUUBSVHP-AWEZNQCLSA-N 0 3 294.464 2.076 20 30 CEEDHN CCC1(CC(=O)C(C#N)C(=O)Nc2ccccc2)COC1 ZINC001122541146 815422944 /nfs/dbraw/zinc/42/29/44/815422944.db2.gz LGMQLNYTOAMSQV-CYBMUJFWSA-N 0 3 286.331 2.151 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)C3CC4(CC4)C3)C2)CC1 ZINC001040846868 811125980 /nfs/dbraw/zinc/12/59/80/811125980.db2.gz XMBFPRPNZWYTAI-UHFFFAOYSA-N 0 3 286.419 2.124 20 30 CEEDHN CC#CCN1CC[C@]2(CCN(C(=O)/C=C/c3ccco3)C2)C1 ZINC001041022903 811136562 /nfs/dbraw/zinc/13/65/62/811136562.db2.gz OSCOCOXXEJXFSM-DKFQHHCZSA-N 0 3 298.386 2.241 20 30 CEEDHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC001122541359 815423835 /nfs/dbraw/zinc/42/38/35/815423835.db2.gz QCCYFUYSVQNDIB-BPGGGUHBSA-N 0 3 286.331 2.005 20 30 CEEDHN Cc1cc(CC(=O)C(C#N)C(=O)Nc2cccc(C)c2)no1 ZINC001122541448 815424235 /nfs/dbraw/zinc/42/42/35/815424235.db2.gz SBHKDZNFKURBAV-CQSZACIVSA-N 0 3 297.314 2.182 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)Cc3ccccc3)C2)C1 ZINC001041414200 811165811 /nfs/dbraw/zinc/16/58/11/811165811.db2.gz FGJLDKJYQOGUSA-LJQANCHMSA-N 0 3 296.414 2.177 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)[C@@]3(C)C=CCC3)C2)C1 ZINC001041556791 811175489 /nfs/dbraw/zinc/17/54/89/811175489.db2.gz CFPJMXSWIWNOKZ-ZWKOTPCHSA-N 0 3 286.419 2.290 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3cc(C)on3)C[C@@H]21 ZINC001041914464 811213739 /nfs/dbraw/zinc/21/37/39/811213739.db2.gz BVSVSVGIZKIHHH-HIFRSBDPSA-N 0 3 289.379 2.096 20 30 CEEDHN Cn1ccnc1C(C#N)C(=O)[C@H]1CC2CCC1CC2 ZINC001122608896 815430325 /nfs/dbraw/zinc/43/03/25/815430325.db2.gz FNDKGEXWHSBOIQ-TYUFSLCMSA-N 0 3 257.337 2.423 20 30 CEEDHN Cn1ccnc1C(C#N)C(=O)CC1CC(F)(F)C1 ZINC001122609184 815430418 /nfs/dbraw/zinc/43/04/18/815430418.db2.gz ICIDWYAWCJVTOR-VIFPVBQESA-N 0 3 253.252 2.032 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)CCC3CC3)C[C@H]21 ZINC001041982882 811227936 /nfs/dbraw/zinc/22/79/36/811227936.db2.gz SLPAXHOKURKHKD-JKSUJKDBSA-N 0 3 274.408 2.123 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)Cc3ccc(C)o3)C[C@H]21 ZINC001042016905 811233164 /nfs/dbraw/zinc/23/31/64/811233164.db2.gz WVDDERQGEGHMEM-GOEBONIOSA-N 0 3 288.391 2.239 20 30 CEEDHN COC(=O)C1(C)CCC(N2CC[C@](C)(C#N)C2)CC1 ZINC001168793907 811238329 /nfs/dbraw/zinc/23/83/29/811238329.db2.gz GRGJAJMEDYVIAV-HNFVBEJKSA-N 0 3 264.369 2.344 20 30 CEEDHN CC#CCN1CC[C@H]2CCN(C(=O)C(C)=C3CCC3)C[C@H]21 ZINC001042058720 811238621 /nfs/dbraw/zinc/23/86/21/811238621.db2.gz VBWUUHPAFRGSNY-DLBZAZTESA-N 0 3 286.419 2.433 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(C4CC4)CC3)C[C@@H]21 ZINC001042106448 811243647 /nfs/dbraw/zinc/24/36/47/811243647.db2.gz CWMWMCOXQYJFDR-ZFWWWQNUSA-N 0 3 274.408 2.285 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(C)c(C)n3)C[C@@H]21 ZINC001042155626 811249317 /nfs/dbraw/zinc/24/93/17/811249317.db2.gz CYTSRGULEZTFMJ-RDJZCZTQSA-N 0 3 299.418 2.421 20 30 CEEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3nocc3C)C[C@@H]21 ZINC001042304425 811268786 /nfs/dbraw/zinc/26/87/86/811268786.db2.gz NNVYVLCWCDVQHG-KGLIPLIRSA-N 0 3 289.379 2.096 20 30 CEEDHN C#CCN1CC[C@@H]2CCN(C(=O)Cc3ccccc3C)C[C@H]21 ZINC001042346409 811270892 /nfs/dbraw/zinc/27/08/92/811270892.db2.gz UBOYXFHGCTZASC-SJLPKXTDSA-N 0 3 296.414 2.094 20 30 CEEDHN C[C@@H](CCCC#N)NCc1ccccc1S(C)(=O)=O ZINC001172485327 815434782 /nfs/dbraw/zinc/43/47/82/815434782.db2.gz NUOFVOGJMNUNBQ-LBPRGKRZSA-N 0 3 280.393 2.262 20 30 CEEDHN C[C@H](N)c1ccn(-c2cnc(C#N)c(C(F)(F)F)c2)n1 ZINC001169234226 811449156 /nfs/dbraw/zinc/44/91/56/811449156.db2.gz VPCJPNBAIWQTPG-ZETCQYMHSA-N 0 3 281.241 2.177 20 30 CEEDHN Cc1ccc(C(=NO)Nc2ccc(CN(C)C)cn2)nc1 ZINC001169405445 811499652 /nfs/dbraw/zinc/49/96/52/811499652.db2.gz MFJOYIBQUKNCAD-UHFFFAOYSA-N 0 3 285.351 2.095 20 30 CEEDHN CCCCCCCC[C@H](CC)NS(=O)(=O)CCN ZINC001172500881 815455815 /nfs/dbraw/zinc/45/58/15/815455815.db2.gz BXXQZWCFYRYBOB-ZDUSSCGKSA-N 0 3 278.462 2.394 20 30 CEEDHN C/C=C(\C)C(=O)NCCCNCc1cc(C#N)ccc1F ZINC001156344468 811582415 /nfs/dbraw/zinc/58/24/15/811582415.db2.gz ZGRYUIVMFKNFLQ-KGVSQERTSA-N 0 3 289.354 2.259 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cocc2C)CC1 ZINC001045522097 811620893 /nfs/dbraw/zinc/62/08/93/811620893.db2.gz BAXZVTBMIUYNBY-UHFFFAOYSA-N 0 3 262.353 2.358 20 30 CEEDHN CC#CCN1CCC(C)(NC(=O)c2cc3c([nH]2)CCC3)CC1 ZINC001045615564 811633881 /nfs/dbraw/zinc/63/38/81/811633881.db2.gz VHEWUPHSCBXOEM-UHFFFAOYSA-N 0 3 299.418 2.111 20 30 CEEDHN C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)N3CC#CC)C1 ZINC001045843543 811655005 /nfs/dbraw/zinc/65/50/05/811655005.db2.gz IEJPEJHFQHWWCR-CVEARBPZSA-N 0 3 286.419 2.431 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1cccnc1)C2 ZINC001045907940 811662249 /nfs/dbraw/zinc/66/22/49/811662249.db2.gz DCXNDLYTMQGINI-SFHVURJKSA-N 0 3 297.402 2.033 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C=C(C)C)C2 ZINC001045910459 811662814 /nfs/dbraw/zinc/66/28/14/811662814.db2.gz XDNNWLDCTPGKFK-KRWDZBQOSA-N 0 3 274.408 2.290 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)c1[nH]ccc1C)C2 ZINC001045934700 811668565 /nfs/dbraw/zinc/66/85/65/811668565.db2.gz BBJAHNWRDJCXNF-SFHVURJKSA-N 0 3 299.418 2.275 20 30 CEEDHN CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1C)C2 ZINC001045957574 811668661 /nfs/dbraw/zinc/66/86/61/811668661.db2.gz YWALDTQLGLCXCQ-JFIYKMOQSA-N 0 3 288.435 2.370 20 30 CEEDHN C[C@H](CCCCNCc1cscn1)NC(=O)[C@@H](C)C#N ZINC001169831662 811675908 /nfs/dbraw/zinc/67/59/08/811675908.db2.gz JPHCGGUUNPKLPR-NWDGAFQWSA-N 0 3 294.424 2.067 20 30 CEEDHN C=C(C)CCN1CC[C@](C)(NC(=O)c2snnc2C)C1 ZINC001046133559 811691155 /nfs/dbraw/zinc/69/11/55/811691155.db2.gz WTMJYSZXLOYKQB-AWEZNQCLSA-N 0 3 294.424 2.007 20 30 CEEDHN C=CCN1CC[C@@](C)(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001046226174 811714222 /nfs/dbraw/zinc/71/42/22/811714222.db2.gz LYSFEFIRHAPFJK-MRXNPFEDSA-N 0 3 264.413 2.435 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001046225851 811714718 /nfs/dbraw/zinc/71/47/18/811714718.db2.gz GUCBQUKLKUKIFG-QGZVFWFLSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@@H](C)c1ccco1 ZINC001156421510 811739481 /nfs/dbraw/zinc/73/94/81/811739481.db2.gz 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/nfs/dbraw/zinc/00/41/63/813004163.db2.gz LOYNWQOTOXWBGV-HNNXBMFYSA-N 0 3 288.366 2.352 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC001052587366 813008035 /nfs/dbraw/zinc/00/80/35/813008035.db2.gz OTQUDIKMAOWMBI-KYHPRHEASA-N 0 3 288.435 2.417 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)c2ncc(C)cc2C)CC1 ZINC001052581319 813009187 /nfs/dbraw/zinc/00/91/87/813009187.db2.gz OPDNOROYTDBDOX-INIZCTEOSA-N 0 3 299.418 2.306 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC001052587364 813009279 /nfs/dbraw/zinc/00/92/79/813009279.db2.gz OTQUDIKMAOWMBI-DFGXFYAUSA-N 0 3 288.435 2.417 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC001052574952 813009782 /nfs/dbraw/zinc/00/97/82/813009782.db2.gz QEBPQNXXDLBYDU-ULQDDVLXSA-N 0 3 288.435 2.417 20 30 CEEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ncncc1C#N ZINC001170679242 813030018 /nfs/dbraw/zinc/03/00/18/813030018.db2.gz DIIMLHKSNHGNQE-NSHDSACASA-N 0 3 290.330 2.221 20 30 CEEDHN C=CCC1(C(=O)NCCNC[C@H](F)CC)CCC1 ZINC001133392131 813046634 /nfs/dbraw/zinc/04/66/34/813046634.db2.gz IXCICCIRVYIZQQ-GFCCVEGCSA-N 0 3 256.365 2.187 20 30 CEEDHN CC(C)C1(C(=O)NCCNCc2ccc(C#N)s2)CC1 ZINC001133556948 813106934 /nfs/dbraw/zinc/10/69/34/813106934.db2.gz ONIMZRNWIZPKTL-UHFFFAOYSA-N 0 3 291.420 2.262 20 30 CEEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N1CCCCCC1 ZINC000384233690 813117838 /nfs/dbraw/zinc/11/78/38/813117838.db2.gz YHCYRZKPKNGPJE-DZGCQCFKSA-N 0 3 250.386 2.169 20 30 CEEDHN C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1[O-] ZINC001133722927 813142713 /nfs/dbraw/zinc/14/27/13/813142713.db2.gz OIKPYOMJWNFVMS-STQMWFEESA-N 0 3 276.380 2.455 20 30 CEEDHN C=C(Cl)CN[C@H](C)C[C@H](C)NC(=O)C(=O)C(C)(C)C ZINC001133933363 813181249 /nfs/dbraw/zinc/18/12/49/813181249.db2.gz XZBMDDLAFDDTPF-MNOVXSKESA-N 0 3 288.819 2.227 20 30 CEEDHN C#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ocnc1C ZINC001134205159 813227327 /nfs/dbraw/zinc/22/73/27/813227327.db2.gz HBXHPXVQZSAOJF-CHWSQXEVSA-N 0 3 291.395 2.159 20 30 CEEDHN C#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1ocnc1C ZINC001134205161 813227457 /nfs/dbraw/zinc/22/74/57/813227457.db2.gz HBXHPXVQZSAOJF-QWHCGFSZSA-N 0 3 291.395 2.159 20 30 CEEDHN C#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(C)no1 ZINC001134201687 813232852 /nfs/dbraw/zinc/23/28/52/813232852.db2.gz SEPBCAIDWKMRRN-STQMWFEESA-N 0 3 291.395 2.159 20 30 CEEDHN CC(C)[C@H](C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001134655829 813306221 /nfs/dbraw/zinc/30/62/21/813306221.db2.gz OJFOOWIQGFZKLK-NSHDSACASA-N 0 3 279.409 2.118 20 30 CEEDHN CC#CCNCCNC(=O)CC[C@H](C)c1ccccc1 ZINC001134809848 813330732 /nfs/dbraw/zinc/33/07/32/813330732.db2.gz ZYMQJNNKWRSWCC-HNNXBMFYSA-N 0 3 272.392 2.299 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(F)c2)CC[C@@H]1C ZINC001071318695 813362848 /nfs/dbraw/zinc/36/28/48/813362848.db2.gz CHRJERLEIOBKRZ-BBRMVZONSA-N 0 3 288.366 2.432 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2cccnc2)CC[C@@H]1C ZINC001071319814 813363298 /nfs/dbraw/zinc/36/32/98/813363298.db2.gz VHWHBIYCGDMTAA-ZFWWWQNUSA-N 0 3 273.380 2.240 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)C2=COCCC2)CC[C@H]1C ZINC001071385876 813385671 /nfs/dbraw/zinc/38/56/71/813385671.db2.gz GZIQMHTWFMCIGN-HIFRSBDPSA-N 0 3 278.396 2.226 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[C@@H]1C ZINC001071438924 813405940 /nfs/dbraw/zinc/40/59/40/813405940.db2.gz UHWKTNLGYUWESW-JSGCOSHPSA-N 0 3 286.379 2.045 20 30 CEEDHN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1nccn1C ZINC001135354114 813414216 /nfs/dbraw/zinc/41/42/16/813414216.db2.gz RPNNBUQWSYDAAL-KBPBESRZSA-N 0 3 292.427 2.149 20 30 CEEDHN C=CCCCC(=O)N[C@H](C)C[C@H](C)NCc1cnns1 ZINC001135358667 813415092 /nfs/dbraw/zinc/41/50/92/813415092.db2.gz WIIXJAGKRGKBFZ-NWDGAFQWSA-N 0 3 296.440 2.267 20 30 CEEDHN C#CCNCCNC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001135405064 813425306 /nfs/dbraw/zinc/42/53/06/813425306.db2.gz FAJRRPALSHBKEL-ZIAGYGMSSA-N 0 3 264.413 2.178 20 30 CEEDHN C=CCN1C[C@H](NC(=O)C2C=CC=CC=C2)CC[C@@H]1C ZINC001071544512 813435528 /nfs/dbraw/zinc/43/55/28/813435528.db2.gz ZPHMWAUWNIVJMU-GOEBONIOSA-N 0 3 272.392 2.440 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)Cc2ccccc2)CC[C@H]1C ZINC001071615790 813450267 /nfs/dbraw/zinc/45/02/67/813450267.db2.gz GTTWKTZQPAKKCC-ZBFHGGJFSA-N 0 3 272.392 2.384 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2ncccc2CC)CC[C@H]1C ZINC001071631555 813455903 /nfs/dbraw/zinc/45/59/03/813455903.db2.gz OGTFWLKDUHECNQ-GDBMZVCRSA-N 0 3 299.418 2.250 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)c2cc(F)c[nH]2)CC[C@@H]1C ZINC001071693753 813463984 /nfs/dbraw/zinc/46/39/84/813463984.db2.gz WKGMNTALBXRRLO-WCQYABFASA-N 0 3 279.359 2.313 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cscn2)CC[C@@H]1C ZINC001071875554 813503433 /nfs/dbraw/zinc/50/34/33/813503433.db2.gz DEXUZAABZGPSMP-STQMWFEESA-N 0 3 293.436 2.231 20 30 CEEDHN CC#CCNCCNC(=O)c1ccc(C(F)F)cc1F ZINC001135760890 813519576 /nfs/dbraw/zinc/51/95/76/813519576.db2.gz VAWAXMMDHCNEIO-UHFFFAOYSA-N 0 3 284.281 2.106 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cc3c([nH]2)CCC3)CC[C@H]1C ZINC001071984375 813524332 /nfs/dbraw/zinc/52/43/32/813524332.db2.gz CTXNMZFKKQOTOY-UKRRQHHQSA-N 0 3 299.418 2.109 20 30 CEEDHN N#Cc1ccc(CN2CCC3(CN(C(=O)C4CC4)C3)C2)cc1 ZINC001072375732 813577998 /nfs/dbraw/zinc/57/79/98/813577998.db2.gz IOUHCSLQHFUXSH-UHFFFAOYSA-N 0 3 295.386 2.003 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)c3ccccc3)C2)C1 ZINC001072408260 813585099 /nfs/dbraw/zinc/58/50/99/813585099.db2.gz CPJUJJZINVFBOP-UHFFFAOYSA-N 0 3 256.349 2.021 20 30 CEEDHN C=C(Cl)C(C)(C)C(=O)N1CC2(C1)CCN(CC#CC)C2 ZINC001072780111 813655293 /nfs/dbraw/zinc/65/52/93/813655293.db2.gz UUAKERDPDOWWOG-UHFFFAOYSA-N 0 3 294.826 2.323 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC001072854654 813674223 /nfs/dbraw/zinc/67/42/23/813674223.db2.gz VOOKZGJQKXHRBL-AWEZNQCLSA-N 0 3 276.424 2.226 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC001072854655 813674727 /nfs/dbraw/zinc/67/47/27/813674727.db2.gz VOOKZGJQKXHRBL-CQSZACIVSA-N 0 3 276.424 2.226 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H]3Cc4ccccc43)C2)C1 ZINC001072932803 813693307 /nfs/dbraw/zinc/69/33/07/813693307.db2.gz XWJKRTKVTBSPOK-MRXNPFEDSA-N 0 3 282.387 2.047 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@H](C)c3cccnc3)C2)C1 ZINC001073032061 813715692 /nfs/dbraw/zinc/71/56/92/813715692.db2.gz YSUXHRSSISZSHB-HNNXBMFYSA-N 0 3 299.418 2.296 20 30 CEEDHN N#Cc1c(Cl)ccnc1Nc1ccc(CN)nc1 ZINC001160402211 813865043 /nfs/dbraw/zinc/86/50/43/813865043.db2.gz NXJWGBPRTMTTER-UHFFFAOYSA-N 0 3 259.700 2.204 20 30 CEEDHN C#CCN1CCN([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171134924 813947078 /nfs/dbraw/zinc/94/70/78/813947078.db2.gz IEJSGIXHBZYLIU-KRWDZBQOSA-N 0 3 288.822 2.448 20 30 CEEDHN COC(C)(C)[C@H]1CCCN1Cc1cncc(C#N)c1 ZINC001144079112 813950447 /nfs/dbraw/zinc/95/04/47/813950447.db2.gz BEFBRCYXNGQZDO-CQSZACIVSA-N 0 3 259.353 2.343 20 30 CEEDHN CN(Cc1ccc(C#N)cn1)CC1CC(F)(F)C1 ZINC001144162938 813971588 /nfs/dbraw/zinc/97/15/88/813971588.db2.gz FASRIDLJUTVGFS-UHFFFAOYSA-N 0 3 251.280 2.430 20 30 CEEDHN C#CCCCC(=O)NC[C@H]1CCC(C)(C)CN1CCOC ZINC001099043319 813980057 /nfs/dbraw/zinc/98/00/57/813980057.db2.gz NAAMGANLRLDGBS-OAHLLOKOSA-N 0 3 294.439 2.043 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)[nH]c2C)C1 ZINC001099053700 813982552 /nfs/dbraw/zinc/98/25/52/813982552.db2.gz GINMFWSPLOQKBD-YJBOKZPZSA-N 0 3 299.418 2.239 20 30 CEEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CC1 ZINC001099085079 813986510 /nfs/dbraw/zinc/98/65/10/813986510.db2.gz JFJXONMHPDKXJY-AWEZNQCLSA-N 0 3 276.424 2.417 20 30 CEEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1cnoc1 ZINC001099194203 813994204 /nfs/dbraw/zinc/99/42/04/813994204.db2.gz LWVPSJOVARRIQI-CQSZACIVSA-N 0 3 291.395 2.010 20 30 CEEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)C(C)C)C[C@H]1C(F)(F)F ZINC001099315485 813998743 /nfs/dbraw/zinc/99/87/43/813998743.db2.gz MEEBQPATMHFTGE-IJLUTSLNSA-N 0 3 292.345 2.443 20 30 CEEDHN Cn1cncc1NC(=N)c1ccc2cc(O)ccc2c1 ZINC001171185016 814068820 /nfs/dbraw/zinc/06/88/20/814068820.db2.gz RHGIMRDELZQTAH-UHFFFAOYSA-N 0 3 266.304 2.316 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](CC)SC)C1 ZINC001100248083 814084372 /nfs/dbraw/zinc/08/43/72/814084372.db2.gz ZCYWENCOIDLLSR-MCIGGMRASA-N 0 3 290.860 2.365 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1ccn(CCF)n1 ZINC001171194178 814095300 /nfs/dbraw/zinc/09/53/00/814095300.db2.gz GVZGPCLQLVAGTE-ZDUSSCGKSA-N 0 3 286.354 2.445 20 30 CEEDHN C#Cc1ccc(CN2CC[C@@H](Oc3nccnc3C)C2)cc1 ZINC001144581027 814114827 /nfs/dbraw/zinc/11/48/27/814114827.db2.gz LEICGLWJBZKWER-QGZVFWFLSA-N 0 3 293.370 2.420 20 30 CEEDHN C#Cc1ccc(CN2C[C@@H]3CC[C@H](C2)C3C(=O)OC)cc1 ZINC001144576388 814120141 /nfs/dbraw/zinc/12/01/41/814120141.db2.gz JMKJDNSYQQUKCX-SJPCQFCGSA-N 0 3 283.371 2.299 20 30 CEEDHN C=CC(C)(C)C(=O)NCC1CC(NCc2ccns2)C1 ZINC001100569049 814148252 /nfs/dbraw/zinc/14/82/52/814148252.db2.gz JYTRGJOKMIQNCW-UHFFFAOYSA-N 0 3 293.436 2.340 20 30 CEEDHN C[C@@H](Cc1cccc(C#N)c1)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001171210280 814160885 /nfs/dbraw/zinc/16/08/85/814160885.db2.gz RIDLJKBHEGLCAC-GLQYFDAESA-N 0 3 292.329 2.455 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)[C@H](C)CC(=C)C)C[C@]2(C)C1 ZINC001101331945 814248173 /nfs/dbraw/zinc/24/81/73/814248173.db2.gz QOQCROPZILWBJD-INMHGKMJSA-N 0 3 274.408 2.002 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@@H](CC)C(C)C)C[C@]2(C)C1 ZINC001101434328 814258477 /nfs/dbraw/zinc/25/84/77/814258477.db2.gz NBGXMZICFPICKM-NUJGCVRESA-N 0 3 290.451 2.472 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C(C)=C3CCCC3)C[C@]2(C)C1 ZINC001091587956 814307200 /nfs/dbraw/zinc/30/72/00/814307200.db2.gz RNMVYYUKIZMPTO-AEFFLSMTSA-N 0 3 286.419 2.290 20 30 CEEDHN C=CCCC(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001101806412 814318375 /nfs/dbraw/zinc/31/83/75/814318375.db2.gz PJASDFGSROMSIT-WFMXKNRHSA-N 0 3 270.804 2.389 20 30 CEEDHN CC(=O)NCC[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1C ZINC001102627571 814401224 /nfs/dbraw/zinc/40/12/24/814401224.db2.gz HNYIUXHTBOXFKP-CZUORRHYSA-N 0 3 285.391 2.152 20 30 CEEDHN C=CC(C)(C)CC(=O)N1CC2(C1)CCN(CC#CC)C2 ZINC001147652167 814474799 /nfs/dbraw/zinc/47/47/99/814474799.db2.gz CERGLKWDMGUWQS-UHFFFAOYSA-N 0 3 274.408 2.146 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)CC3(C)CCCC3)C[C@]2(C)C1 ZINC001091647718 814484626 /nfs/dbraw/zinc/48/46/26/814484626.db2.gz HELXGAGUZYCTDR-QAPCUYQASA-N 0 3 288.435 2.370 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@@H](CC)CC(F)F)C2)C1 ZINC001147723840 814488176 /nfs/dbraw/zinc/48/81/76/814488176.db2.gz DTVIRCMMTIDECR-LBPRGKRZSA-N 0 3 286.366 2.388 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)[C@@H](C)CC)C2)C1 ZINC001148499719 814576244 /nfs/dbraw/zinc/57/62/44/814576244.db2.gz BXEXZPSCCGXRIR-UONOGXRCSA-N 0 3 264.413 2.389 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C(C)(F)F)C1 ZINC001111875939 814625073 /nfs/dbraw/zinc/62/50/73/814625073.db2.gz LQXAXRLSKYUXMP-XUJVJEKNSA-N 0 3 286.366 2.434 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCc2ccccc2)C1 ZINC001111954019 814634568 /nfs/dbraw/zinc/63/45/68/814634568.db2.gz FFHNWUCFMZZZRY-HKUYNNGSSA-N 0 3 296.414 2.223 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](C)CC)C2)CC1 ZINC001086905130 814647197 /nfs/dbraw/zinc/64/71/97/814647197.db2.gz UAFKPPONFBVJSO-CABCVRRESA-N 0 3 276.424 2.369 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCC3(C)C)C[C@]2(C)C1 ZINC001091939002 814681039 /nfs/dbraw/zinc/68/10/39/814681039.db2.gz VVVVZUYQDQSMBQ-VKJFTORMSA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cccc1)C2 ZINC001110139559 814840486 /nfs/dbraw/zinc/84/04/86/814840486.db2.gz YEWRFJWKJOMTDV-IKGGRYGDSA-N 0 3 299.418 2.013 20 30 CEEDHN C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)CC)CC1 ZINC001093349871 814911047 /nfs/dbraw/zinc/91/10/47/814911047.db2.gz YGLYTZORRSZKKL-MRXNPFEDSA-N 0 3 274.408 2.123 20 30 CEEDHN N#CCC1CCC(N2CCc3ncncc3C2)CC1 ZINC001173338427 815682602 /nfs/dbraw/zinc/68/26/02/815682602.db2.gz FFKWVCJTJUAANE-UHFFFAOYSA-N 0 3 256.353 2.307 20 30 CEEDHN N#Cc1c(F)ccnc1N[C@H]1CCN(C2CCC2)C1 ZINC001161178104 815687798 /nfs/dbraw/zinc/68/77/98/815687798.db2.gz WRNZVNODJDYXRI-JTQLQIEISA-N 0 3 260.316 2.131 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCCC1)C2 ZINC001095120745 815699776 /nfs/dbraw/zinc/69/97/76/815699776.db2.gz AIQKDRSLPSAYGF-PMPSAXMXSA-N 0 3 274.408 2.312 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C)C2 ZINC001095126673 815704598 /nfs/dbraw/zinc/70/45/98/815704598.db2.gz JUKKMGOHRDKOMA-PVAVHDDUSA-N 0 3 282.387 2.353 20 30 CEEDHN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C)C2 ZINC001095180645 815742570 /nfs/dbraw/zinc/74/25/70/815742570.db2.gz YWPWPSUDNKHRNR-RDBSUJKOSA-N 0 3 274.364 2.499 20 30 CEEDHN COC(=O)[C@@]1(C)CCCN1C1CCC(C)(C#N)CC1 ZINC001173593524 815755001 /nfs/dbraw/zinc/75/50/01/815755001.db2.gz KBVQMYTYCBNFTK-PESDSKBTSA-N 0 3 264.369 2.486 20 30 CEEDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1C1CCC(C)(C#N)CC1 ZINC001173597424 815757176 /nfs/dbraw/zinc/75/71/76/815757176.db2.gz SSRZSVXASMFHHE-BCWAKEQVSA-N 0 3 276.380 2.485 20 30 CEEDHN CC(C)(C)c1n[nH]cc1CN1CCC2SC(=O)C=C2C1 ZINC001138576874 815832227 /nfs/dbraw/zinc/83/22/27/815832227.db2.gz GBJOHEVFGOVURU-GFCCVEGCSA-N 0 3 291.420 2.481 20 30 CEEDHN C=CCc1cccc(C[N@@H+](C)[C@@H]2CCN(C)C2)c1[O-] ZINC001138627586 815848567 /nfs/dbraw/zinc/84/85/67/815848567.db2.gz AYVUGTGTYIXSQQ-OAHLLOKOSA-N 0 3 260.381 2.257 20 30 CEEDHN C=CCc1cccc(C[N@H+](C)[C@@H]2CCN(C)C2)c1[O-] ZINC001138627586 815848572 /nfs/dbraw/zinc/84/85/72/815848572.db2.gz AYVUGTGTYIXSQQ-OAHLLOKOSA-N 0 3 260.381 2.257 20 30 CEEDHN CN(C)Cc1ccccc1Nc1c(C#N)cnc2ccnn21 ZINC001173929080 815863561 /nfs/dbraw/zinc/86/35/61/815863561.db2.gz KSPYKNQJZQIVRZ-UHFFFAOYSA-N 0 3 292.346 2.406 20 30 CEEDHN Cc1ccc(CN2CC[C@](C)(O)[C@H](C)C2)cc1C#N ZINC001139722654 816094710 /nfs/dbraw/zinc/09/47/10/816094710.db2.gz DUHYDAXXORBWNL-CJNGLKHVSA-N 0 3 258.365 2.460 20 30 CEEDHN Cc1ccc(CN2CC[C@@H]3[C@H](CCC(=O)N3C)C2)cc1C#N ZINC001139727268 816096497 /nfs/dbraw/zinc/09/64/97/816096497.db2.gz LKMCDFYXTFORHD-NVXWUHKLSA-N 0 3 297.402 2.309 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)c1cc(O)ccc1C ZINC001139869650 816130522 /nfs/dbraw/zinc/13/05/22/816130522.db2.gz OQHTYLRQCBPTHZ-UHFFFAOYSA-N 0 3 276.380 2.281 20 30 CEEDHN CN1CCC=C(Nc2cccc(C#CC(C)(C)O)c2)C1 ZINC001175578243 816244215 /nfs/dbraw/zinc/24/42/15/816244215.db2.gz JCAGCLGOKMFWFY-UHFFFAOYSA-N 0 3 270.376 2.440 20 30 CEEDHN N#Cc1ccc(Cl)c(CN2CCN3CC[C@@H]3C2)c1 ZINC001140603201 816298772 /nfs/dbraw/zinc/29/87/72/816298772.db2.gz FKALZZZFAZGCOX-CYBMUJFWSA-N 0 3 261.756 2.102 20 30 CEEDHN Nc1cccc(F)c1CN1CCC2SC(=O)C=C2C1 ZINC001140873802 816392061 /nfs/dbraw/zinc/39/20/61/816392061.db2.gz SFEUYNMOLAWYTA-CYBMUJFWSA-N 0 3 278.352 2.182 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)OCCC(C)C ZINC001177277075 816543453 /nfs/dbraw/zinc/54/34/53/816543453.db2.gz LGLLESYGUVDGPH-ZDUSSCGKSA-N 0 3 290.835 2.286 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cc2n(c1)CCCC2 ZINC001177623831 816593782 /nfs/dbraw/zinc/59/37/82/816593782.db2.gz NNAXVENQPXUNAJ-UHFFFAOYSA-N 0 3 295.814 2.286 20 30 CEEDHN N#CC(Cc1cccs1)C(=O)Nc1noc2nccnc12 ZINC001177903398 816639487 /nfs/dbraw/zinc/63/94/87/816639487.db2.gz HELSJMIFMVISKC-MRVPVSSYSA-N 0 3 299.315 2.000 20 30 CEEDHN C=CC[C@H](CO)[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000297343124 260119389 /nfs/dbraw/zinc/11/93/89/260119389.db2.gz DQVQVYQWCVJIFQ-LLVKDONJSA-N 0 3 285.771 2.471 20 30 CEEDHN COC[C@H](NCc1ccc(OC)c(C#N)c1)C1CC1 ZINC000121326064 365553403 /nfs/dbraw/zinc/55/34/03/365553403.db2.gz WIISDTBVYJBPFX-AWEZNQCLSA-N 0 3 260.337 2.081 20 30 CEEDHN N#Cc1ccccc1OCCN1CCCC[C@H]1CCO ZINC000034674207 361793190 /nfs/dbraw/zinc/79/31/90/361793190.db2.gz JBYZBAVJCZSDAT-HNNXBMFYSA-N 0 3 274.364 2.174 20 30 CEEDHN C=C[C@@H](C)NCc1cc(OC)c(OC)cc1OC ZINC000123192549 365635716 /nfs/dbraw/zinc/63/57/16/365635716.db2.gz PVMRYUDUWQNGQW-SNVBAGLBSA-N 0 3 251.326 2.377 20 30 CEEDHN CCN1CCCN(C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000336586415 365682062 /nfs/dbraw/zinc/68/20/62/365682062.db2.gz GFIPPUWCCGKLOY-UHFFFAOYSA-N 0 3 286.379 2.426 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601543840 346848543 /nfs/dbraw/zinc/84/85/43/346848543.db2.gz ZUIRZSMGWVQNLB-CYBMUJFWSA-N 0 3 289.423 2.307 20 30 CEEDHN COC[C@@H](O)CNCc1ccc(-c2ccccc2C#N)cc1 ZINC000567685603 299075088 /nfs/dbraw/zinc/07/50/88/299075088.db2.gz FOGYGPIXQKSLIT-KRWDZBQOSA-N 0 3 296.370 2.322 20 30 CEEDHN C[C@@H](Cn1ccnc1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037157777 361900175 /nfs/dbraw/zinc/90/01/75/361900175.db2.gz UGNWNMXXYHOGEP-STQMWFEESA-N 0 3 254.337 2.494 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000337951496 214329086 /nfs/dbraw/zinc/32/90/86/214329086.db2.gz QMEFDUZNDDJNMD-BLLLJJGKSA-N 0 3 285.391 2.279 20 30 CEEDHN CCCN1CCC(N(C)C(=O)C#Cc2ccccc2)CC1 ZINC000080587211 344015328 /nfs/dbraw/zinc/01/53/28/344015328.db2.gz CCNWHOPXLSUCEK-UHFFFAOYSA-N 0 3 284.403 2.371 20 30 CEEDHN CCN1CCC[C@@H]1CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000125842053 187202588 /nfs/dbraw/zinc/20/25/88/187202588.db2.gz YLCRZZNNPZSNQP-GFCCVEGCSA-N 0 3 274.324 2.363 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N(CC)CC(=C)C ZINC000125946661 365692354 /nfs/dbraw/zinc/69/23/54/365692354.db2.gz RNKGDCLXWOSZTE-AWEZNQCLSA-N 0 3 250.386 2.474 20 30 CEEDHN Cc1nc([C@H](C)NC(=O)N[C@H]2CCN(C3CC3)C2)cs1 ZINC000329362579 539238026 /nfs/dbraw/zinc/23/80/26/539238026.db2.gz CXJQJOLVQFHXDR-ONGXEEELSA-N 0 3 294.424 2.253 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)CCc2c[nH]cn2)C1 ZINC000329535330 539241569 /nfs/dbraw/zinc/24/15/69/539241569.db2.gz ZGGDXNSCPDIKGZ-UHFFFAOYSA-N 0 3 278.400 2.421 20 30 CEEDHN Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](C)CC#N)C2)cc1 ZINC000601884558 346921569 /nfs/dbraw/zinc/92/15/69/346921569.db2.gz ZNCRPFCQGOXFOU-HOCLYGCPSA-N 0 3 285.391 2.235 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000126382428 187236119 /nfs/dbraw/zinc/23/61/19/187236119.db2.gz IBRVOCOHULAPMC-GJZGRUSLSA-N 0 3 299.418 2.075 20 30 CEEDHN N#Cc1ccc(OC[C@@H](O)CNCc2ccccc2)cc1 ZINC000037849921 343432065 /nfs/dbraw/zinc/43/20/65/343432065.db2.gz LULQSIQLMUIOBX-INIZCTEOSA-N 0 3 282.343 2.088 20 30 CEEDHN COc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000041495557 343441775 /nfs/dbraw/zinc/44/17/75/343441775.db2.gz AWZMWNOWCPEADJ-LLVKDONJSA-N 0 3 292.298 2.457 20 30 CEEDHN Cc1cc(C)c(C#N)c(NC[C@@H]2CCCN(C)C2)n1 ZINC000044537941 343474338 /nfs/dbraw/zinc/47/43/38/343474338.db2.gz ALZRAMGSQCFUCQ-ZDUSSCGKSA-N 0 3 258.369 2.324 20 30 CEEDHN C[C@H]1CCCN(CCNC(=O)c2cccc(C#N)c2)C1 ZINC000046862810 343505455 /nfs/dbraw/zinc/50/54/55/343505455.db2.gz IFDGMWKZTXCBCE-ZDUSSCGKSA-N 0 3 271.364 2.020 20 30 CEEDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1ncccc1C#N ZINC000065586811 343699107 /nfs/dbraw/zinc/69/91/07/343699107.db2.gz APYRQYAWEDCGGO-STQMWFEESA-N 0 3 258.369 2.486 20 30 CEEDHN CC(C)CN(C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000065962671 343705341 /nfs/dbraw/zinc/70/53/41/343705341.db2.gz UUSOQOUJXASNFG-TZMCWYRMSA-N 0 3 253.390 2.017 20 30 CEEDHN C=CCCC(=O)Nc1ccnn1C1CCN(CC)CC1 ZINC000066662903 343719364 /nfs/dbraw/zinc/71/93/64/343719364.db2.gz OFBYRKQDLSCVPO-UHFFFAOYSA-N 0 3 276.384 2.445 20 30 CEEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(C)(C)C#N)C1 ZINC000081125363 344040130 /nfs/dbraw/zinc/04/01/30/344040130.db2.gz CFZZLSQVKDPAGJ-HNNXBMFYSA-N 0 3 285.391 2.269 20 30 CEEDHN CN(C)C/C=C/C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000075297933 343845535 /nfs/dbraw/zinc/84/55/35/343845535.db2.gz BSRJHCBLITYBDC-CZPJPAAGSA-N 0 3 297.402 2.403 20 30 CEEDHN C[C@H](C#N)CN(C)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000602347565 347016520 /nfs/dbraw/zinc/01/65/20/347016520.db2.gz HZUMKTUQKGFWPC-HIFRSBDPSA-N 0 3 292.427 2.194 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000602372957 347019780 /nfs/dbraw/zinc/01/97/80/347019780.db2.gz BDSWUFBROMDMOH-AWEZNQCLSA-N 0 3 292.427 2.194 20 30 CEEDHN C=CC[C@H](C)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000081410839 344049865 /nfs/dbraw/zinc/04/98/65/344049865.db2.gz CGAJUICUDJSFJX-AWEZNQCLSA-N 0 3 280.412 2.102 20 30 CEEDHN C=CCCC[C@@H](C)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000091599456 344168034 /nfs/dbraw/zinc/16/80/34/344168034.db2.gz WTXXKKHAIQOXTK-CYBMUJFWSA-N 0 3 288.457 2.087 20 30 CEEDHN CN(Cc1cc(C#N)cs1)C[C@@H]1CCC[C@@H]1O ZINC000091899929 344173760 /nfs/dbraw/zinc/17/37/60/344173760.db2.gz QVEXDYPGTRBQPS-AAEUAGOBSA-N 0 3 250.367 2.213 20 30 CEEDHN CCOC(=O)C1CCN(C[C@@H](C)CCC#N)CC1 ZINC000602429696 347029677 /nfs/dbraw/zinc/02/96/77/347029677.db2.gz SHFBXKYZJVZBBI-LBPRGKRZSA-N 0 3 252.358 2.201 20 30 CEEDHN C[C@H](CCC#N)CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000602442225 347034938 /nfs/dbraw/zinc/03/49/38/347034938.db2.gz VOMIWHKBONFPIT-CQSZACIVSA-N 0 3 283.379 2.015 20 30 CEEDHN CN(Cc1cnc2ccc(C#N)cn12)[C@H](CO)C(C)(C)C ZINC000093821938 344230549 /nfs/dbraw/zinc/23/05/49/344230549.db2.gz GMEVMCVNIDLWAM-CQSZACIVSA-N 0 3 286.379 2.045 20 30 CEEDHN COc1ccccc1CN(CCO)C[C@@H](C)CCC#N ZINC000602448756 347037721 /nfs/dbraw/zinc/03/77/21/347037721.db2.gz OWEWZZFQNBFOBF-AWEZNQCLSA-N 0 3 276.380 2.429 20 30 CEEDHN CCN(CCC(=O)N(C)CCC#N)Cc1cccc(F)c1 ZINC000092793566 344203758 /nfs/dbraw/zinc/20/37/58/344203758.db2.gz QJWVXVLFGKAQRS-UHFFFAOYSA-N 0 3 291.370 2.410 20 30 CEEDHN C[C@@H](CCC#N)CN1CCN(Cc2cccc(O)c2)CC1 ZINC000602459564 347041247 /nfs/dbraw/zinc/04/12/47/347041247.db2.gz SRQFWXBUKJFDLV-HNNXBMFYSA-N 0 3 287.407 2.450 20 30 CEEDHN CCN(CC)C(=O)[C@H]1CCCN1C[C@H](C)CCC#N ZINC000602451739 347038556 /nfs/dbraw/zinc/03/85/56/347038556.db2.gz BQOVOIJLFHOGML-ZIAGYGMSSA-N 0 3 265.401 2.259 20 30 CEEDHN CCc1nnc(N[C@@H]2CCCN(CC)C2)c(C#N)c1CC ZINC000129814975 344347121 /nfs/dbraw/zinc/34/71/21/344347121.db2.gz KWDJYEPZZXEJEB-GFCCVEGCSA-N 0 3 287.411 2.369 20 30 CEEDHN N#Cc1cccc(CN2CC[C@H](C3CCOCC3)C2)n1 ZINC000602479633 347052928 /nfs/dbraw/zinc/05/29/28/347052928.db2.gz OOESOQIUKPPDFM-AWEZNQCLSA-N 0 3 271.364 2.202 20 30 CEEDHN CCC[C@@H]1CN(C[C@@H](C)CCC#N)CCN1CCOC ZINC000602487742 347057243 /nfs/dbraw/zinc/05/72/43/347057243.db2.gz YLUWISQOSKZQJS-JKSUJKDBSA-N 0 3 281.444 2.359 20 30 CEEDHN CO[C@@]1(CN2CC=C(c3ccc(C#N)cc3)CC2)CCOC1 ZINC000602493057 347057872 /nfs/dbraw/zinc/05/78/72/347057872.db2.gz JGSMXYICWZNBOQ-GOSISDBHSA-N 0 3 298.386 2.453 20 30 CEEDHN C=CCNC(=O)NC(=O)CN(C1CC1)C1CCC(C)CC1 ZINC000052103858 362467023 /nfs/dbraw/zinc/46/70/23/362467023.db2.gz VBLJRUACYORADZ-UHFFFAOYSA-N 0 3 293.411 2.041 20 30 CEEDHN N#Cc1cc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)ccn1 ZINC000253094454 344642892 /nfs/dbraw/zinc/64/28/92/344642892.db2.gz NPJWBGUVQQAKHC-BRWVUGGUSA-N 0 3 285.391 2.469 20 30 CEEDHN CC1(C)CCC(C)(C)N(C(=O)[C@@H](N)CCCC#N)C1 ZINC000602530088 347068096 /nfs/dbraw/zinc/06/80/96/347068096.db2.gz VDHHIYGZVGUFNK-LBPRGKRZSA-N 0 3 265.401 2.435 20 30 CEEDHN CCc1nc(C#N)cc(NCCN2CCC(C)CC2)n1 ZINC000308277367 344727009 /nfs/dbraw/zinc/72/70/09/344727009.db2.gz QNLFKPYXWUDDNB-UHFFFAOYSA-N 0 3 273.384 2.054 20 30 CEEDHN N#Cc1cc(N[C@@H]2CCCN(Cc3ccccc3)C2)ncn1 ZINC000309800795 344729643 /nfs/dbraw/zinc/72/96/43/344729643.db2.gz JUPSANJLZKLOMT-OAHLLOKOSA-N 0 3 293.374 2.425 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](O)C(C)(C)C1 ZINC000311332978 344733789 /nfs/dbraw/zinc/73/37/89/344733789.db2.gz DRKKQWYSRUHGSY-OAHLLOKOSA-N 0 3 258.365 2.460 20 30 CEEDHN COc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1C ZINC000602537288 347069285 /nfs/dbraw/zinc/06/92/85/347069285.db2.gz CQRCRWZUIKVTID-LBPRGKRZSA-N 0 3 275.352 2.353 20 30 CEEDHN Cc1ccccc1OC[C@@H](O)CNCc1ccc(C#N)cc1 ZINC000314531890 344745867 /nfs/dbraw/zinc/74/58/67/344745867.db2.gz BPHLPWNVXGBKDE-KRWDZBQOSA-N 0 3 296.370 2.396 20 30 CEEDHN C[C@@H](CCC#N)CN[C@@H]1CCN(c2ccccc2)C1=O ZINC000602534203 347069420 /nfs/dbraw/zinc/06/94/20/347069420.db2.gz HGBMGNUUTPWFMQ-DZGCQCFKSA-N 0 3 271.364 2.321 20 30 CEEDHN CCCN(CC(C)C)C(=O)[C@H](N)CCCCC#N ZINC000602546913 347071763 /nfs/dbraw/zinc/07/17/63/347071763.db2.gz VBELDMSKFMTIED-CYBMUJFWSA-N 0 3 253.390 2.292 20 30 CEEDHN C=CCSCCNCc1cccn(C(F)F)c1=O ZINC000602544555 347071851 /nfs/dbraw/zinc/07/18/51/347071851.db2.gz LOIBGMQRIHZOJM-UHFFFAOYSA-N 0 3 274.336 2.252 20 30 CEEDHN C[C@@H](Cc1ccc(O)cc1)NCc1cccc(C#N)n1 ZINC000602547378 347072366 /nfs/dbraw/zinc/07/23/66/347072366.db2.gz CFWQSFDSZOHAPE-LBPRGKRZSA-N 0 3 267.332 2.380 20 30 CEEDHN CC(C)CC[C@H]1CCCN1CC(=O)NC1(C#N)CCC1 ZINC000347064447 344775363 /nfs/dbraw/zinc/77/53/63/344775363.db2.gz XCVYVVAGLIJZFX-CQSZACIVSA-N 0 3 277.412 2.449 20 30 CEEDHN C[C@H](Cc1cccc(O)c1)NCc1cccc(C#N)n1 ZINC000602554837 347074692 /nfs/dbraw/zinc/07/46/92/347074692.db2.gz YVTIRHXJAKPNCO-GFCCVEGCSA-N 0 3 267.332 2.380 20 30 CEEDHN CC(C)[C@H]1OCCC[C@@H]1CNCc1cccc(C#N)n1 ZINC000602563793 347079201 /nfs/dbraw/zinc/07/92/01/347079201.db2.gz NWTLMDAUEGLAID-CZUORRHYSA-N 0 3 273.380 2.494 20 30 CEEDHN CC(C#N)C(=O)NCc1ccnc(OCc2ccccc2)c1 ZINC000357824689 344807103 /nfs/dbraw/zinc/80/71/03/344807103.db2.gz LGZHMQNCVWCBBS-CYBMUJFWSA-N 0 3 295.342 2.436 20 30 CEEDHN CC[S@](=O)[C@@H]1CCC[C@H](NCc2cccc(C#N)n2)C1 ZINC000602564362 347080168 /nfs/dbraw/zinc/08/01/68/347080168.db2.gz MGZBCODZQGBXQF-VHPWJVAPSA-N 0 3 291.420 2.123 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCC[C@H]3OCC[C@@H]32)n1 ZINC000602565271 347080261 /nfs/dbraw/zinc/08/02/61/347080261.db2.gz DVPJGHPZYOGNSF-RBSFLKMASA-N 0 3 257.337 2.000 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCO[C@@]3(CCSC3)C2)n1 ZINC000602566628 347081048 /nfs/dbraw/zinc/08/10/48/347081048.db2.gz AELCEZVPLRCFBY-DOMZBBRYSA-N 0 3 289.404 2.098 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@H](c2ccsc2)C[C@@H]1C ZINC000364763495 344812191 /nfs/dbraw/zinc/81/21/91/344812191.db2.gz ZRBOFUZDYSUJIB-SGMGOOAPSA-N 0 3 276.405 2.064 20 30 CEEDHN C[C@@H](CC#N)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390870742 344839033 /nfs/dbraw/zinc/83/90/33/344839033.db2.gz QNCLLUYJDZFGME-RDJZCZTQSA-N 0 3 287.407 2.169 20 30 CEEDHN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1CC#N ZINC000404420670 344880008 /nfs/dbraw/zinc/88/00/08/344880008.db2.gz IMGNKHUSGHTTAY-ZNMIVQPWSA-N 0 3 257.381 2.493 20 30 CEEDHN CC[C@@H](C#N)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000405967668 344885624 /nfs/dbraw/zinc/88/56/24/344885624.db2.gz SHUGFQBZLZUPCB-RDJZCZTQSA-N 0 3 285.391 2.317 20 30 CEEDHN FCC1CCN(CC#CCN2CCC(CF)CC2)CC1 ZINC000451392649 344903589 /nfs/dbraw/zinc/90/35/89/344903589.db2.gz JRZJQISVGDHVNY-UHFFFAOYSA-N 0 3 284.394 2.353 20 30 CEEDHN C#CCN(C)CCCNC(=O)NC(C)(C)C(C)(C)C ZINC000491663272 344913204 /nfs/dbraw/zinc/91/32/04/344913204.db2.gz PGZDVGIOXHXHBR-UHFFFAOYSA-N 0 3 267.417 2.065 20 30 CEEDHN N#CCCCCCC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000588354063 345047279 /nfs/dbraw/zinc/04/72/79/345047279.db2.gz PJPRLGWHELDYOV-CQSZACIVSA-N 0 3 263.385 2.061 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)CCCCCC#N ZINC000588683572 345051746 /nfs/dbraw/zinc/05/17/46/345051746.db2.gz XKPZHRXYAJHBOI-UHFFFAOYSA-N 0 3 251.374 2.013 20 30 CEEDHN COC(=O)C[C@](C)(NCCCCC#N)c1ccncc1 ZINC000589163147 345067858 /nfs/dbraw/zinc/06/78/58/345067858.db2.gz BATMRZCOUHXRFW-HNNXBMFYSA-N 0 3 275.352 2.143 20 30 CEEDHN CC(C)N1CCC[C@@H](NC(=O)CCCCCC#N)C1 ZINC000589847878 345102257 /nfs/dbraw/zinc/10/22/57/345102257.db2.gz VMSJXYUROFNXNB-CQSZACIVSA-N 0 3 265.401 2.449 20 30 CEEDHN CN(CCN1CC[C@](F)(C#N)C1)Cc1ccccc1 ZINC000590724055 345169313 /nfs/dbraw/zinc/16/93/13/345169313.db2.gz VROBZXOLJOTLMV-HNNXBMFYSA-N 0 3 261.344 2.056 20 30 CEEDHN C[C@H](NC(=O)CC1(C#N)CC1)[C@@H](c1ccccc1)N(C)C ZINC000590329908 345129501 /nfs/dbraw/zinc/12/95/01/345129501.db2.gz ZXFHHLKALUQRLG-BBRMVZONSA-N 0 3 285.391 2.488 20 30 CEEDHN C[C@@H]1CN(C(=O)CC2(C#N)CC2)CCN(C2CCC2)C1 ZINC000590452457 345136316 /nfs/dbraw/zinc/13/63/16/345136316.db2.gz MCTZOJFKARUGEK-ZDUSSCGKSA-N 0 3 275.396 2.013 20 30 CEEDHN N#C[C@]1(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC12CCCC2 ZINC000590632622 345154129 /nfs/dbraw/zinc/15/41/29/345154129.db2.gz VCHAMORQTMLCGA-PBHICJAKSA-N 0 3 287.407 2.061 20 30 CEEDHN CO[C@H]1c2ccccc2C[C@H]1NCc1ccnc(C#N)c1 ZINC000591044250 345214102 /nfs/dbraw/zinc/21/41/02/345214102.db2.gz NIOMTBLAKYDZQX-SJORKVTESA-N 0 3 279.343 2.355 20 30 CEEDHN CN(Cc1ccccc1)[C@H]1CCN(c2cncc(C#N)n2)C1 ZINC000591459789 345258411 /nfs/dbraw/zinc/25/84/11/345258411.db2.gz KBBXMGIEEYPOED-INIZCTEOSA-N 0 3 293.374 2.059 20 30 CEEDHN C[C@H]1c2ccccc2CN1C(=O)[C@@H](N)CCCC#N ZINC000591615174 345269379 /nfs/dbraw/zinc/26/93/79/345269379.db2.gz XADLLRNQYSTZPO-FZMZJTMJSA-N 0 3 257.337 2.111 20 30 CEEDHN CC[C@H](NC(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000591610392 345269391 /nfs/dbraw/zinc/26/93/91/345269391.db2.gz DGHLOUXEHVFQCG-KGLIPLIRSA-N 0 3 265.401 2.483 20 30 CEEDHN N#CCCNC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000591728313 345276150 /nfs/dbraw/zinc/27/61/50/345276150.db2.gz KNOMYLXEEKPCPQ-LLVKDONJSA-N 0 3 265.307 2.294 20 30 CEEDHN COc1cccc(N2CC[C@H](CNCCC#N)C2)c1 ZINC000591734993 345276648 /nfs/dbraw/zinc/27/66/48/345276648.db2.gz GUHDOPLBLCZYMN-CYBMUJFWSA-N 0 3 259.353 2.025 20 30 CEEDHN C[C@@H](Cc1cccc(O)c1)NC[C@@H](C#N)CCC#N ZINC000591756657 345277018 /nfs/dbraw/zinc/27/70/18/345277018.db2.gz NHKUNAPTACQSKH-GXTWGEPZSA-N 0 3 257.337 2.356 20 30 CEEDHN C=CCN1CCC(NC(=O)N(CC)CCSC)CC1 ZINC000591938371 345303756 /nfs/dbraw/zinc/30/37/56/345303756.db2.gz FIKLWTIECPPPTD-UHFFFAOYSA-N 0 3 285.457 2.031 20 30 CEEDHN CN(CCC#N)C(=O)CCN1CCS[C@@H]2CCCC[C@@H]21 ZINC000092800377 282395895 /nfs/dbraw/zinc/39/58/95/282395895.db2.gz WUADVAQEEJQJSR-UONOGXRCSA-N 0 3 295.452 2.109 20 30 CEEDHN C=C(C)[C@H](CO)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000592135408 345327218 /nfs/dbraw/zinc/32/72/18/345327218.db2.gz KHSZUCDCEFJYBG-MJBXVCDLSA-N 0 3 283.412 2.223 20 30 CEEDHN C[C@H](CCO)N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000593107027 345440363 /nfs/dbraw/zinc/44/03/63/345440363.db2.gz DRHODZVEZSLTDT-SNVBAGLBSA-N 0 3 284.306 2.362 20 30 CEEDHN COC(=O)[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C1CC1 ZINC000593130170 345445917 /nfs/dbraw/zinc/44/59/17/345445917.db2.gz HPJCMZXCLVUUFV-DLBZAZTESA-N 0 3 283.371 2.169 20 30 CEEDHN CCC(C#N)C(=O)N[C@](CC)(C(=O)OC)c1ccccc1 ZINC000593455213 345490158 /nfs/dbraw/zinc/49/01/58/345490158.db2.gz APRJIXFDLJBYCD-LRDDRELGSA-N 0 3 288.347 2.131 20 30 CEEDHN CCC(C#N)C(=O)N=c1cc(C)n([C@@H](C)C2CC2)[nH]1 ZINC000593596787 345510742 /nfs/dbraw/zinc/51/07/42/345510742.db2.gz TYLJIQCRMPJZDP-QWRGUYRKSA-N 0 3 260.341 2.073 20 30 CEEDHN CN(CCN1CCCCC1)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000593517938 345501955 /nfs/dbraw/zinc/50/19/55/345501955.db2.gz VLEDDRHVBMLALZ-UHFFFAOYSA-N 0 3 288.351 2.389 20 30 CEEDHN CC[C@@H](C#N)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000593410541 345479101 /nfs/dbraw/zinc/47/91/01/345479101.db2.gz UBYZBQMBTWENDO-INIZCTEOSA-N 0 3 299.418 2.359 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](CC(=O)OC)c1ccc(F)cc1 ZINC000593420202 345481798 /nfs/dbraw/zinc/48/17/98/345481798.db2.gz YGADHTSFEPRTQE-MFKMUULPSA-N 0 3 292.310 2.096 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)NCC1(C#N)CCCC1 ZINC000593782419 345537624 /nfs/dbraw/zinc/53/76/24/345537624.db2.gz MAJRIKZKDMBTPX-CYBMUJFWSA-N 0 3 263.385 2.061 20 30 CEEDHN N#CCCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000593949238 345555030 /nfs/dbraw/zinc/55/50/30/345555030.db2.gz ZOMPXOSFPOGVAQ-MRXNPFEDSA-N 0 3 285.391 2.461 20 30 CEEDHN N#Cc1ccc(C2(NCc3cnc[nH]3)CCC2)cc1 ZINC000594033363 345570014 /nfs/dbraw/zinc/57/00/14/345570014.db2.gz NVTOLQYWJIOKAL-UHFFFAOYSA-N 0 3 252.321 2.450 20 30 CEEDHN CCC(C#N)C(=O)N[C@@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000593612049 345513156 /nfs/dbraw/zinc/51/31/56/345513156.db2.gz GVOWERHOZQLUTI-TZMCWYRMSA-N 0 3 288.347 2.184 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)Nc1ncccc1OC(F)F ZINC000594467815 345636600 /nfs/dbraw/zinc/63/66/00/345636600.db2.gz HFVPFZPJWXSOCY-SECBINFHSA-N 0 3 298.293 2.033 20 30 CEEDHN N#Cc1cccc(CC(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594194924 345596340 /nfs/dbraw/zinc/59/63/40/345596340.db2.gz AOIHCWGFBFBDQE-IRXDYDNUSA-N 0 3 297.402 2.234 20 30 CEEDHN CC(C)N1CCC[C@H](NC(=O)CCCCC#N)C1 ZINC000594341550 345614324 /nfs/dbraw/zinc/61/43/24/345614324.db2.gz OXWIFDSJRHDMSB-ZDUSSCGKSA-N 0 3 251.374 2.059 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)NCCc1ccc(Cl)cc1 ZINC000594424579 345625638 /nfs/dbraw/zinc/62/56/38/345625638.db2.gz GFQLSULRTJVNJT-CQSZACIVSA-N 0 3 293.798 2.410 20 30 CEEDHN CC(C)CC[C@@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000594424608 345625866 /nfs/dbraw/zinc/62/58/66/345625866.db2.gz HCESQWQCVDGLSG-OLZOCXBDSA-N 0 3 253.390 2.339 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000594426904 345626374 /nfs/dbraw/zinc/62/63/74/345626374.db2.gz HPOOTZMSNLQRFR-SJORKVTESA-N 0 3 299.418 2.489 20 30 CEEDHN Cc1cc(NC(=O)[C@@H](N)CCCCC#N)ccc1F ZINC000594427727 345627105 /nfs/dbraw/zinc/62/71/05/345627105.db2.gz IVADBGHBYRJLGQ-ZDUSSCGKSA-N 0 3 263.316 2.484 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCCc1ccccc1Cl ZINC000594428831 345627358 /nfs/dbraw/zinc/62/73/58/345627358.db2.gz NSTNYLSPTWKVAV-AWEZNQCLSA-N 0 3 293.798 2.410 20 30 CEEDHN CC(C)CCN(C(=O)[C@@H](N)CCCCC#N)C1CC1 ZINC000594428710 345627445 /nfs/dbraw/zinc/62/74/45/345627445.db2.gz OTYIZZPRXBNSIJ-AWEZNQCLSA-N 0 3 265.401 2.435 20 30 CEEDHN CCOc1ccc(CNC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594429382 345628059 /nfs/dbraw/zinc/62/80/59/345628059.db2.gz SSQIHMOGVUMRMI-OAHLLOKOSA-N 0 3 289.379 2.113 20 30 CEEDHN C[C@H](CNC(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1 ZINC000594431215 345628545 /nfs/dbraw/zinc/62/85/45/345628545.db2.gz JSHUOPOSGHICDX-IUODEOHRSA-N 0 3 291.370 2.457 20 30 CEEDHN C[C@H](CNC(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1 ZINC000594431214 345628797 /nfs/dbraw/zinc/62/87/97/345628797.db2.gz JSHUOPOSGHICDX-DOMZBBRYSA-N 0 3 291.370 2.457 20 30 CEEDHN C[C@@H]1CCCC[C@H]1CNC(=O)[C@H](N)CCCCC#N ZINC000594430677 345628807 /nfs/dbraw/zinc/62/88/07/345628807.db2.gz ARKJFVAQCGRBBW-HZSPNIEDSA-N 0 3 265.401 2.340 20 30 CEEDHN C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)Cc1cccs1 ZINC000594433910 345629324 /nfs/dbraw/zinc/62/93/24/345629324.db2.gz URBMWAYEOGYTLR-OCCSQVGLSA-N 0 3 293.436 2.454 20 30 CEEDHN C[C@@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)[C@H]1C ZINC000594436160 345629921 /nfs/dbraw/zinc/62/99/21/345629921.db2.gz IVWRWQGVMSZFLE-AGIUHOORSA-N 0 3 251.374 2.045 20 30 CEEDHN C[C@@H]1CC[C@H](NC(=O)[C@@H](N)CCCCC#N)[C@H](C)C1 ZINC000594434932 345630108 /nfs/dbraw/zinc/63/01/08/345630108.db2.gz WXTAYPWGSXQLSJ-MQYQWHSLSA-N 0 3 265.401 2.339 20 30 CEEDHN Cc1csc([C@H](C)NC(=O)[C@H](N)CCCCC#N)n1 ZINC000594437512 345630728 /nfs/dbraw/zinc/63/07/28/345630728.db2.gz JVBBNCJBRRHBRI-WDEREUQCSA-N 0 3 280.397 2.040 20 30 CEEDHN CC[C@@H](c1ccncc1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594437222 345630749 /nfs/dbraw/zinc/63/07/49/345630749.db2.gz MDIPXKYIRXHDGK-GJZGRUSLSA-N 0 3 288.395 2.402 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000594436988 345630780 /nfs/dbraw/zinc/63/07/80/345630780.db2.gz LDYPGRGWXLMDIC-ZDUSSCGKSA-N 0 3 297.362 2.426 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCc2cccc(F)c2C1 ZINC000594437550 345630810 /nfs/dbraw/zinc/63/08/10/345630810.db2.gz OMJHALLVOJRKKX-OAHLLOKOSA-N 0 3 289.354 2.122 20 30 CEEDHN CC[C@@]1(C)CCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594441933 345631083 /nfs/dbraw/zinc/63/10/83/345631083.db2.gz AIDQYBHOWLYIGF-ZFWWWQNUSA-N 0 3 265.401 2.436 20 30 CEEDHN C[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)C[C@@H](C)C1 ZINC000594443723 345631939 /nfs/dbraw/zinc/63/19/39/345631939.db2.gz SMPDHIPGKFKZSF-HZSPNIEDSA-N 0 3 265.401 2.292 20 30 CEEDHN Cc1nc(N[C@@H]2CCCN3CCCC[C@@H]23)ccc1C#N ZINC000594604400 345658532 /nfs/dbraw/zinc/65/85/32/345658532.db2.gz YYCJFZBTKRJDDR-CABCVRRESA-N 0 3 270.380 2.112 20 30 CEEDHN CC(C)(C#N)c1ccc(CNC2(CC(N)=O)CCC2)cc1 ZINC000594612645 345661787 /nfs/dbraw/zinc/66/17/87/345661787.db2.gz PINSTODMYUAUOH-UHFFFAOYSA-N 0 3 285.391 2.375 20 30 CEEDHN N#CCC1(Cn2cc(CNC3CCCC3)nn2)CC1 ZINC000594652164 345667051 /nfs/dbraw/zinc/66/70/51/345667051.db2.gz PEFBKBMAXISJHQ-UHFFFAOYSA-N 0 3 259.357 2.004 20 30 CEEDHN CC(C)(C#N)c1ccc(CN[C@]2(CCO)CCOC2)cc1 ZINC000594503997 345639565 /nfs/dbraw/zinc/63/95/65/345639565.db2.gz LTGBGUZVVKRCSF-QGZVFWFLSA-N 0 3 288.391 2.119 20 30 CEEDHN Cc1cc(C#N)nc(N[C@@H]2CCCN3CCCC[C@H]23)n1 ZINC000594597073 345655590 /nfs/dbraw/zinc/65/55/90/345655590.db2.gz CFVKEPZIELILBV-ZIAGYGMSSA-N 0 3 271.368 2.086 20 30 CEEDHN Cc1nnc(N[C@@H]2CCCN3CCCC[C@@H]23)c(C#N)c1C ZINC000594598595 345656369 /nfs/dbraw/zinc/65/63/69/345656369.db2.gz HBAWELFKYQOCKZ-CABCVRRESA-N 0 3 285.395 2.394 20 30 CEEDHN CCOC(=O)C1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595293112 345755837 /nfs/dbraw/zinc/75/58/37/345755837.db2.gz YQBZCKKHHUXJFE-UHFFFAOYSA-N 0 3 286.375 2.376 20 30 CEEDHN N#Cc1ccc(N2CCN(C[C@@H]3C[C@H]4C[C@H]4C3)CC2)nc1 ZINC000595295006 345756261 /nfs/dbraw/zinc/75/62/61/345756261.db2.gz FNKYTAVKEJNNRF-MUJYYYPQSA-N 0 3 282.391 2.121 20 30 CEEDHN CCc1nocc1CNCCc1ccc(C#N)cc1 ZINC000594954090 345715071 /nfs/dbraw/zinc/71/50/71/345715071.db2.gz AEANKWUSXAMVIR-UHFFFAOYSA-N 0 3 255.321 2.441 20 30 CEEDHN C=CCCSCCNCc1cc(C(=O)OC)n(C)c1 ZINC000594960865 345717411 /nfs/dbraw/zinc/71/74/11/345717411.db2.gz YHRGAJYDJXGEOX-UHFFFAOYSA-N 0 3 282.409 2.211 20 30 CEEDHN C[S@](=O)[C@H]1CCC[C@H](NCc2cccc(C#N)c2)C1 ZINC000594962713 345717769 /nfs/dbraw/zinc/71/77/69/345717769.db2.gz GCYUCVSTEWLYRT-DOXZYTNZSA-N 0 3 276.405 2.338 20 30 CEEDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2cc(C#N)cs2)C1 ZINC000594963817 345718517 /nfs/dbraw/zinc/71/85/17/345718517.db2.gz JRZKQBALYUNIMT-UMVBOHGHSA-N 0 3 294.420 2.275 20 30 CEEDHN C=CCCn1cc(CNCCC2(CSC)CC2)nn1 ZINC000594972954 345720267 /nfs/dbraw/zinc/72/02/67/345720267.db2.gz ALBKRBLYEKILAU-UHFFFAOYSA-N 0 3 280.441 2.477 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](CO)CC2CC2)c(F)c1 ZINC000594983538 345721462 /nfs/dbraw/zinc/72/14/62/345721462.db2.gz PCJYIKKNYLEZME-ZDUSSCGKSA-N 0 3 262.328 2.196 20 30 CEEDHN Cc1n[nH]cc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000594985061 345721949 /nfs/dbraw/zinc/72/19/49/345721949.db2.gz URMMYAVKEGBDNU-UHFFFAOYSA-N 0 3 296.374 2.385 20 30 CEEDHN Cc1cncc(CCNCc2cc(C#N)cs2)n1 ZINC000594993819 345723315 /nfs/dbraw/zinc/72/33/15/345723315.db2.gz HEPVGWPCTDHIQD-UHFFFAOYSA-N 0 3 258.350 2.051 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595034266 345731478 /nfs/dbraw/zinc/73/14/78/345731478.db2.gz UASTZDHFAXDQQR-QWRGUYRKSA-N 0 3 280.324 2.191 20 30 CEEDHN CC(C)C(=O)N1CCCN(CCc2ccc(C#N)cc2)CC1 ZINC000595306543 345758902 /nfs/dbraw/zinc/75/89/02/345758902.db2.gz OJOXNVBQZNTJQI-UHFFFAOYSA-N 0 3 299.418 2.291 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@](C)(C#N)C1 ZINC000595547376 345808915 /nfs/dbraw/zinc/80/89/15/345808915.db2.gz SWCSJGLDCBQWLC-IJEWVQPXSA-N 0 3 292.427 2.052 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2ccc(Cn3cncn3)cc2)C1 ZINC000573727857 334961421 /nfs/dbraw/zinc/96/14/21/334961421.db2.gz WKNKJBHDLSSAGX-JKSUJKDBSA-N 0 3 281.363 2.108 20 30 CEEDHN CN(CCCOc1cccc(C#N)c1)Cc1cnc[nH]1 ZINC000595594980 345821281 /nfs/dbraw/zinc/82/12/81/345821281.db2.gz RXOZMBSRIHWASO-UHFFFAOYSA-N 0 3 270.336 2.182 20 30 CEEDHN N#CCC1CCN([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000595424614 345779309 /nfs/dbraw/zinc/77/93/09/345779309.db2.gz HIFBKAQBIDDQJZ-RBSFLKMASA-N 0 3 275.396 2.059 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000595662297 345841374 /nfs/dbraw/zinc/84/13/74/345841374.db2.gz HNAGTTHHTSQTKO-XJKSGUPXSA-N 0 3 292.427 2.194 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](Cn2ccnn2)C1 ZINC000595609366 345825487 /nfs/dbraw/zinc/82/54/87/345825487.db2.gz YOJXCVRIXSSHJA-DZGCQCFKSA-N 0 3 281.363 2.233 20 30 CEEDHN N#CC[C@H]1CCCN(C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000595610312 345827116 /nfs/dbraw/zinc/82/71/16/345827116.db2.gz WDXOOIQXLBRUMP-UKRRQHHQSA-N 0 3 292.354 2.191 20 30 CEEDHN N#CC[C@@H]1CCCN(C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000595623256 345831216 /nfs/dbraw/zinc/83/12/16/345831216.db2.gz LJJFIGZJYWXQCA-GOEBONIOSA-N 0 3 276.355 2.355 20 30 CEEDHN C=CCN(CCC(=O)OC(C)(C)C)[C@@H](C)COC ZINC000595648383 345837705 /nfs/dbraw/zinc/83/77/05/345837705.db2.gz UZPKCWZZQLPOBK-LBPRGKRZSA-N 0 3 257.374 2.241 20 30 CEEDHN N#Cc1cc(F)c(NCCCN2CCC(O)CC2)c(F)c1 ZINC000596086641 345936562 /nfs/dbraw/zinc/93/65/62/345936562.db2.gz VERJZQPVMLXKTE-UHFFFAOYSA-N 0 3 295.333 2.095 20 30 CEEDHN Cc1c(C#N)c(N[C@H]2CCN(C3CC3)C2)nc2ccccc12 ZINC000596091918 345937652 /nfs/dbraw/zinc/93/76/52/345937652.db2.gz PPMUCRJEDTWPHC-ZDUSSCGKSA-N 0 3 292.386 2.485 20 30 CEEDHN CN1CC[C@H]2CCN(c3nc4ncccc4cc3C#N)[C@H]2C1 ZINC000596189761 345964753 /nfs/dbraw/zinc/96/47/53/345964753.db2.gz QUHMDUCAJDPPBL-WFASDCNBSA-N 0 3 293.374 2.032 20 30 CEEDHN CN1CC[C@]2(CCN(c3nc(C#N)c(Cl)s3)C2)C1 ZINC000596242448 345978575 /nfs/dbraw/zinc/97/85/75/345978575.db2.gz RAXUCKQNBWXXMR-LBPRGKRZSA-N 0 3 282.800 2.200 20 30 CEEDHN Cc1nnc(NC[C@@H]2CCN2C(C)(C)C)c(C#N)c1C ZINC000596309303 345995939 /nfs/dbraw/zinc/99/59/39/345995939.db2.gz YCCILVIRTRYSNI-LBPRGKRZSA-N 0 3 273.384 2.250 20 30 CEEDHN N#Cc1ccc(NC[C@@H]2CCN2Cc2ccccc2)nc1 ZINC000596552066 346053124 /nfs/dbraw/zinc/05/31/24/346053124.db2.gz KQSLCFHIKOFPBD-INIZCTEOSA-N 0 3 278.359 2.062 20 30 CEEDHN CCN(C(=O)NCC(C)(C)CC#N)[C@@H]1CCN(CC)C1 ZINC000596623873 346067213 /nfs/dbraw/zinc/06/72/13/346067213.db2.gz JRMDJANWKLKCRL-CYBMUJFWSA-N 0 3 280.416 2.052 20 30 CEEDHN CCN(C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1CCN(C)C1 ZINC000596910419 346105075 /nfs/dbraw/zinc/10/50/75/346105075.db2.gz FCFAYJDTZVBTKX-CYBMUJFWSA-N 0 3 290.342 2.255 20 30 CEEDHN C=CCCSCCNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000596716957 346079611 /nfs/dbraw/zinc/07/96/11/346079611.db2.gz KJGCQEMCLPDFKL-KGLIPLIRSA-N 0 3 299.484 2.277 20 30 CEEDHN C=CCCSCCNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000596719545 346080308 /nfs/dbraw/zinc/08/03/08/346080308.db2.gz VVFXCYRNHOXZBE-CQSZACIVSA-N 0 3 299.484 2.421 20 30 CEEDHN N#CC1(CC(=O)NCCN2CCCCC2)CCCCC1 ZINC000596805205 346092160 /nfs/dbraw/zinc/09/21/60/346092160.db2.gz RALKIODMIKEDQM-UHFFFAOYSA-N 0 3 277.412 2.453 20 30 CEEDHN CCN1CCCN(C(=O)NCC2(C#N)CCCCC2)CC1 ZINC000596861886 346097707 /nfs/dbraw/zinc/09/77/07/346097707.db2.gz RQBUQSNCNPORNP-UHFFFAOYSA-N 0 3 292.427 2.198 20 30 CEEDHN N#CC[C@@H]1CCCN(Cc2ccc(-n3cncn3)cc2)C1 ZINC000597175114 346141383 /nfs/dbraw/zinc/14/13/83/346141383.db2.gz WSEXMUFOYWQSHS-AWEZNQCLSA-N 0 3 281.363 2.393 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)CCN1C ZINC000597294135 346168331 /nfs/dbraw/zinc/16/83/31/346168331.db2.gz LEKYTXMAQYRZKD-GXSJLCMTSA-N 0 3 293.317 2.049 20 30 CEEDHN CN(C)C1(CNC(=O)c2cc(F)c(C#N)c(F)c2)CCC1 ZINC000597544495 346200179 /nfs/dbraw/zinc/20/01/79/346200179.db2.gz GGLZVCZWDSSPEU-UHFFFAOYSA-N 0 3 293.317 2.051 20 30 CEEDHN CC1(C)COCN1C(=O)C(C#N)CCc1ccccc1 ZINC000597619615 346209252 /nfs/dbraw/zinc/20/92/52/346209252.db2.gz IRFDKWHBDGJCIV-CQSZACIVSA-N 0 3 272.348 2.354 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)CCCCCC#N ZINC000597860502 346240208 /nfs/dbraw/zinc/24/02/08/346240208.db2.gz NJNMFKHZXNDRNK-ZDUSSCGKSA-N 0 3 265.401 2.449 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N[C@H](CO)C1CCC1 ZINC000597920303 346253234 /nfs/dbraw/zinc/25/32/34/346253234.db2.gz SDVYPLJZEMWUSU-HZPDHXFCSA-N 0 3 286.375 2.036 20 30 CEEDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cc(C#N)cs2)C1 ZINC000597925908 346254141 /nfs/dbraw/zinc/25/41/41/346254141.db2.gz YCARWNUWJRPSKF-LLVKDONJSA-N 0 3 277.393 2.222 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccc(C#N)cc2)C1 ZINC000597925828 346254158 /nfs/dbraw/zinc/25/41/58/346254158.db2.gz SARXZMZVKLEBLO-AWEZNQCLSA-N 0 3 271.364 2.161 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)C2(C#N)CCCCC2)C1 ZINC000597925436 346254321 /nfs/dbraw/zinc/25/43/21/346254321.db2.gz PMKHCTPXTUWJAE-ZDUSSCGKSA-N 0 3 277.412 2.449 20 30 CEEDHN N#Cc1ccc(OCCN2CCCN(C3CC3)CC2)cc1 ZINC000061041117 362674363 /nfs/dbraw/zinc/67/43/63/362674363.db2.gz FEVAMCOGBQGSMD-UHFFFAOYSA-N 0 3 285.391 2.107 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)[C@@H](N)CCCC#N ZINC000602586838 347089926 /nfs/dbraw/zinc/08/99/26/347089926.db2.gz WRRQIVHVOIJZCL-LBPRGKRZSA-N 0 3 251.374 2.116 20 30 CEEDHN N#Cc1c(CN2CCCN(C3CC3)CC2)cn2ccccc12 ZINC000061040970 362673758 /nfs/dbraw/zinc/67/37/58/362673758.db2.gz UITWLFQWPWCFKF-UHFFFAOYSA-N 0 3 294.402 2.481 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H]3C[C@H]3C2)cc1 ZINC000598330746 346328487 /nfs/dbraw/zinc/32/84/87/346328487.db2.gz NCJDUCUPCQTOIT-XHSDSOJGSA-N 0 3 279.343 2.109 20 30 CEEDHN CO[C@@]1(C)C[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000598459120 346360527 /nfs/dbraw/zinc/36/05/27/346360527.db2.gz PLDVITQJCHDVQE-LZWOXQAQSA-N 0 3 272.348 2.053 20 30 CEEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)c1nccn1C ZINC000598464381 346361065 /nfs/dbraw/zinc/36/10/65/346361065.db2.gz JLVSABIGOAORQB-DZGCQCFKSA-N 0 3 296.374 2.370 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1CCc2ccccc2-n2ccnc21 ZINC000598576495 346377058 /nfs/dbraw/zinc/37/70/58/346377058.db2.gz UPXINFQOPMYTTR-DGCLKSJQSA-N 0 3 280.331 2.135 20 30 CEEDHN CC(C)COC1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598585480 346377961 /nfs/dbraw/zinc/37/79/61/346377961.db2.gz DUTAJGUAHRMNAC-CQSZACIVSA-N 0 3 282.428 2.424 20 30 CEEDHN CC[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)CCS1 ZINC000598596053 346381359 /nfs/dbraw/zinc/38/13/59/346381359.db2.gz QEIGEKQLBXANMA-NWDGAFQWSA-N 0 3 256.415 2.115 20 30 CEEDHN Cc1n[nH]c(C)c1[C@H]1CCCN1C[C@H](O)CC(C)(C)C#N ZINC000598601104 346382253 /nfs/dbraw/zinc/38/22/53/346382253.db2.gz ZDWFIEFOEQITDK-ZIAGYGMSSA-N 0 3 290.411 2.464 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CCC=C(c2ccccn2)C1 ZINC000598619833 346385103 /nfs/dbraw/zinc/38/51/03/346385103.db2.gz XXLCOQRVVAHJDC-HNNXBMFYSA-N 0 3 285.391 2.471 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCc1cnn(-c2ccccc2)c1 ZINC000598714243 346406069 /nfs/dbraw/zinc/40/60/69/346406069.db2.gz GZHZISMJEAPADS-MRXNPFEDSA-N 0 3 298.390 2.263 20 30 CEEDHN COc1cc(CN[C@H](CO)CCC(C)C)ccc1C#N ZINC000598991295 346443557 /nfs/dbraw/zinc/44/35/57/346443557.db2.gz NKNXVFXRCDTOCY-HNNXBMFYSA-N 0 3 276.380 2.454 20 30 CEEDHN CN(C(=O)c1cccc2c1CNC2)[C@@H]1CCC[C@H]1C#N ZINC000602597334 347094241 /nfs/dbraw/zinc/09/42/41/347094241.db2.gz BBXDLZJSQVGMDO-XHDPSFHLSA-N 0 3 269.348 2.054 20 30 CEEDHN Cc1ccncc1[C@@H](C)NC[C@@H](O)CC1(C#N)CC1 ZINC000599362479 346507859 /nfs/dbraw/zinc/50/78/59/346507859.db2.gz OBLNCFOWMRXTLJ-OLZOCXBDSA-N 0 3 259.353 2.095 20 30 CEEDHN CN(C(=O)c1cc2c(s1)CCNC2)[C@H]1CCC[C@H]1C#N ZINC000602601004 347095395 /nfs/dbraw/zinc/09/53/95/347095395.db2.gz ILGJORFCNBGPEC-JQWIXIFHSA-N 0 3 289.404 2.158 20 30 CEEDHN C[C@@H](CC1CCC1)NC(=O)[C@H](N)CCCCC#N ZINC000602603027 347096330 /nfs/dbraw/zinc/09/63/30/347096330.db2.gz PQZZZDCCZBHUQS-WCQYABFASA-N 0 3 251.374 2.093 20 30 CEEDHN C=CCN(CCC(=O)NCC)Cc1cccc(C#N)c1 ZINC000063300137 362764473 /nfs/dbraw/zinc/76/44/73/362764473.db2.gz WNTNHZKWTLZWAB-UHFFFAOYSA-N 0 3 271.364 2.072 20 30 CEEDHN C=CC[C@H]1CCN(Cc2cccc(C(=O)OC)n2)C1 ZINC000599528072 346532734 /nfs/dbraw/zinc/53/27/34/346532734.db2.gz AXLMVLDGOZQELP-LBPRGKRZSA-N 0 3 260.337 2.266 20 30 CEEDHN N#Cc1cc(CN2CC[C@H]3CC[C@@H](C2)S3)ccn1 ZINC000599552797 346535993 /nfs/dbraw/zinc/53/59/93/346535993.db2.gz ITRKNDNYKWLYRV-KGLIPLIRSA-N 0 3 259.378 2.423 20 30 CEEDHN C[C@H](CNCc1cccc(C#N)n1)c1nccs1 ZINC000602611468 347101925 /nfs/dbraw/zinc/10/19/25/347101925.db2.gz CYAOUKHAHMJSGI-SNVBAGLBSA-N 0 3 258.350 2.303 20 30 CEEDHN C[C@H]1C[C@@H](CCNCc2cccc(C#N)n2)CCO1 ZINC000602611059 347102200 /nfs/dbraw/zinc/10/22/00/347102200.db2.gz USGUWXLLOKSYKC-STQMWFEESA-N 0 3 259.353 2.248 20 30 CEEDHN N#Cc1ccc([C@H](NC[C@@H]2CCCC23CC3)C(N)=O)cc1 ZINC000600614610 346662656 /nfs/dbraw/zinc/66/26/56/346662656.db2.gz KZTDAKMBXYNQDR-GJZGRUSLSA-N 0 3 283.375 2.255 20 30 CEEDHN N#CCCCC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000600230280 346627940 /nfs/dbraw/zinc/62/79/40/346627940.db2.gz PYIWNRSHMLMVPH-AWEZNQCLSA-N 0 3 263.385 2.203 20 30 CEEDHN C[C@H](CNC(=O)C1(C#N)CC2(CC2)C1)N1CCCC[C@@H]1C ZINC000600996554 346729086 /nfs/dbraw/zinc/72/90/86/346729086.db2.gz CDLZVQLFBUDMJD-UONOGXRCSA-N 0 3 289.423 2.449 20 30 CEEDHN C[C@H](C1CC1)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000600983268 346726135 /nfs/dbraw/zinc/72/61/35/346726135.db2.gz JHBPOMDWBZETEI-WBMJQRKESA-N 0 3 281.359 2.497 20 30 CEEDHN Cc1ccc(-c2ccc(NCCN(C)C)nc2)c(C#N)c1 ZINC000600777590 346688669 /nfs/dbraw/zinc/68/86/69/346688669.db2.gz RBTIIEBRRJTJCX-UHFFFAOYSA-N 0 3 280.375 2.324 20 30 CEEDHN CN(Cc1cccc(C#N)c1)C(=O)CN(C)C1CCC1 ZINC000600816793 346696064 /nfs/dbraw/zinc/69/60/64/346696064.db2.gz SGGJSTNZZVULLF-UHFFFAOYSA-N 0 3 271.364 2.001 20 30 CEEDHN CC(C)n1ncnc1CNCC1CCC(C#N)CC1 ZINC000601118548 346757526 /nfs/dbraw/zinc/75/75/26/346757526.db2.gz DPMCVCHIFXHYII-UHFFFAOYSA-N 0 3 261.373 2.279 20 30 CEEDHN Cc1cc(C#N)cc(N[C@@H]2CN(C3CC3)C[C@H]2C)n1 ZINC000601128916 346762383 /nfs/dbraw/zinc/76/23/83/346762383.db2.gz GZUUYONEVWACBQ-QMTHXVAHSA-N 0 3 256.353 2.156 20 30 CEEDHN C[C@@H](CNc1cc(C#N)nc(C2CC2)n1)N1CCCC[C@H]1C ZINC000601103850 346753394 /nfs/dbraw/zinc/75/33/94/346753394.db2.gz JQZQOUSWESIVSS-OLZOCXBDSA-N 0 3 299.422 2.322 20 30 CEEDHN CN(C)CCN(Cc1cccc(C#N)n1)C1CCCC1 ZINC000602626396 347109652 /nfs/dbraw/zinc/10/96/52/347109652.db2.gz YOABQNZPIRBUFT-UHFFFAOYSA-N 0 3 272.396 2.259 20 30 CEEDHN Cc1ccc(CN2CC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 ZINC000601250546 346801994 /nfs/dbraw/zinc/80/19/94/346801994.db2.gz OKKOUHSBVGHPNJ-QGZVFWFLSA-N 0 3 292.386 2.370 20 30 CEEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1Cc1nc(C#N)cs1 ZINC000356312944 370654100 /nfs/dbraw/zinc/65/41/00/370654100.db2.gz CTVCURTWNZFCNJ-YPMHNXCESA-N 0 3 276.409 2.073 20 30 CEEDHN CC(C)C[C@]1(CO)CCCN1Cc1cccc(C#N)n1 ZINC000602640761 347119270 /nfs/dbraw/zinc/11/92/70/347119270.db2.gz CRAXIKBNGIBPCX-INIZCTEOSA-N 0 3 273.380 2.326 20 30 CEEDHN CC[C@@H]1CN(C[C@H](C)CCC#N)C[C@@]2(CCOC2)O1 ZINC000602644914 347120826 /nfs/dbraw/zinc/12/08/26/347120826.db2.gz PFNBPEPQBXQZHH-RBSFLKMASA-N 0 3 266.385 2.196 20 30 CEEDHN C=C(C)CCNCc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602674170 347136264 /nfs/dbraw/zinc/13/62/64/347136264.db2.gz FVXWDUCLZDUAFS-UHFFFAOYSA-N 0 3 279.384 2.431 20 30 CEEDHN CO[C@](C)([C@H](C)NCc1cccc(C#N)n1)C1CC1 ZINC000602691356 347150101 /nfs/dbraw/zinc/15/01/01/347150101.db2.gz SBXHFYYSUXLXLZ-XHDPSFHLSA-N 0 3 259.353 2.246 20 30 CEEDHN Cc1nnsc1CNCCc1ccc(C#N)cc1 ZINC000602704061 347159403 /nfs/dbraw/zinc/15/94/03/347159403.db2.gz BOKSSDSYAHDHJI-UHFFFAOYSA-N 0 3 258.350 2.051 20 30 CEEDHN CC[C@H](NCc1cccc(C#N)n1)[C@@H]1CCCCO1 ZINC000602706117 347161148 /nfs/dbraw/zinc/16/11/48/347161148.db2.gz AUXJKPNAGUIWQZ-GJZGRUSLSA-N 0 3 259.353 2.391 20 30 CEEDHN Cn1cc(C[C@@H]2CCC[C@H]2NCc2cccc(C#N)n2)cn1 ZINC000602715382 347166340 /nfs/dbraw/zinc/16/63/40/347166340.db2.gz GRUZNFLHBSAFSH-WMLDXEAASA-N 0 3 295.390 2.188 20 30 CEEDHN C=CCC1(NCc2cc(C(=O)OC)no2)CCCC1 ZINC000602715788 347166440 /nfs/dbraw/zinc/16/64/40/347166440.db2.gz HMJIDQBUIBMIQG-UHFFFAOYSA-N 0 3 264.325 2.440 20 30 CEEDHN CCC[C@@H](CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)OC ZINC000602670427 347134024 /nfs/dbraw/zinc/13/40/24/347134024.db2.gz CSFRATAFUYUOIB-LSDHHAIUSA-N 0 3 289.379 2.221 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)CC1CCCC1 ZINC000064021720 362780022 /nfs/dbraw/zinc/78/00/22/362780022.db2.gz OWXPXHQXZMAXBW-CYBMUJFWSA-N 0 3 265.401 2.117 20 30 CEEDHN C[C@@H](CCC#N)CNCc1c(C(F)(F)F)cnn1C ZINC000602721558 347170511 /nfs/dbraw/zinc/17/05/11/347170511.db2.gz UNRQCWSJUFRSGW-VIFPVBQESA-N 0 3 274.290 2.468 20 30 CEEDHN N#Cc1cccc(CNC[C@H]2CCN2C2CCCC2)n1 ZINC000602723504 347171703 /nfs/dbraw/zinc/17/17/03/347171703.db2.gz CGZSNSAIXKSMQO-MRXNPFEDSA-N 0 3 270.380 2.060 20 30 CEEDHN CC[C@]1(O)CCCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000602740971 347180804 /nfs/dbraw/zinc/18/08/04/347180804.db2.gz SSWQDTAKGBCJRU-INIZCTEOSA-N 0 3 274.364 2.304 20 30 CEEDHN N#CCC1(CN2CCC[C@H](N3CCCC3=O)CC2)CC1 ZINC000602844477 347221333 /nfs/dbraw/zinc/22/13/33/347221333.db2.gz TUTFESVFYKCNJZ-AWEZNQCLSA-N 0 3 275.396 2.157 20 30 CEEDHN CN1CCN(C[C@@H](C#N)CCC#N)C[C@H]1C(C)(C)C ZINC000602873560 347233612 /nfs/dbraw/zinc/23/36/12/347233612.db2.gz KZCLECZZRJCNRN-KGLIPLIRSA-N 0 3 262.401 2.092 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)NCC1(N(C)C)CC1 ZINC000602895254 347240640 /nfs/dbraw/zinc/24/06/40/347240640.db2.gz AJGBXOFFDFELRR-UHFFFAOYSA-N 0 3 272.352 2.082 20 30 CEEDHN C=C(CC)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962721 347258372 /nfs/dbraw/zinc/25/83/72/347258372.db2.gz NZTOSPKJUBMPPW-AWEZNQCLSA-N 0 3 264.325 2.358 20 30 CEEDHN CC[C@@]1(O)CCCN(CCOc2ccccc2C#N)C1 ZINC000602982878 347265878 /nfs/dbraw/zinc/26/58/78/347265878.db2.gz ZLCZAADIXPVFGQ-MRXNPFEDSA-N 0 3 274.364 2.174 20 30 CEEDHN CC[C@]1(O)CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000602983898 347267016 /nfs/dbraw/zinc/26/70/16/347267016.db2.gz WVMALFUADRCRTN-INIZCTEOSA-N 0 3 274.364 2.304 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)nc1 ZINC000602997796 347270120 /nfs/dbraw/zinc/27/01/20/347270120.db2.gz QTCLHHMBTGMVRJ-PMPSAXMXSA-N 0 3 271.364 2.079 20 30 CEEDHN N#Cc1cccc(OCCN[C@H]2CCCn3nccc32)c1 ZINC000603027530 347274341 /nfs/dbraw/zinc/27/43/41/347274341.db2.gz MBSGLTLYXXGQLB-HNNXBMFYSA-N 0 3 282.347 2.258 20 30 CEEDHN CN(C[C@@H]1CCCN1C)c1c(C#N)cnn1-c1ccccc1 ZINC000603395707 347358333 /nfs/dbraw/zinc/35/83/33/347358333.db2.gz IRYRKYQEBLLUJY-INIZCTEOSA-N 0 3 295.390 2.274 20 30 CEEDHN CCC[C@@H](N)c1cn(Cc2ccc(CC#N)cc2)nn1 ZINC000603222828 347314235 /nfs/dbraw/zinc/31/42/35/347314235.db2.gz OKIXTDYMVSYSPK-CQSZACIVSA-N 0 3 269.352 2.192 20 30 CEEDHN CC[C@](C)(N)c1cn([C@H](C)c2ccc(C#N)cc2)nn1 ZINC000603229469 347316700 /nfs/dbraw/zinc/31/67/00/347316700.db2.gz YGNDWRIUMFOBRW-ABAIWWIYSA-N 0 3 269.352 2.343 20 30 CEEDHN CC(C)[C@H](N)c1cn(CCc2ccc(C#N)cc2)nn1 ZINC000603247550 347321399 /nfs/dbraw/zinc/32/13/99/347321399.db2.gz MJMPEJHXMNWRTL-HNNXBMFYSA-N 0 3 269.352 2.048 20 30 CEEDHN N#Cc1cnn2cc(CNC[C@H]3Cc4ccccc43)cnc12 ZINC000609222486 347630897 /nfs/dbraw/zinc/63/08/97/347630897.db2.gz NUGMGCPUVJKWTE-CQSZACIVSA-N 0 3 289.342 2.030 20 30 CEEDHN C[C@](CO)(NCCOc1ccccc1C#N)c1ccccc1 ZINC000609483927 347640194 /nfs/dbraw/zinc/64/01/94/347640194.db2.gz SHOOQDWUOYBRGK-GOSISDBHSA-N 0 3 296.370 2.434 20 30 CEEDHN CCCC(=O)NC1CCN(CCCSCC#N)CC1 ZINC000610409609 347679575 /nfs/dbraw/zinc/67/95/75/347679575.db2.gz MIUABXMAZFLBCS-UHFFFAOYSA-N 0 3 283.441 2.014 20 30 CEEDHN N#Cc1csc(CN[C@H]2CCN(CC3CC3)C2)c1 ZINC000610488791 347684390 /nfs/dbraw/zinc/68/43/90/347684390.db2.gz UUOQOLYJWUDECB-ZDUSSCGKSA-N 0 3 261.394 2.194 20 30 CEEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cnc(C#N)cn1 ZINC000129965191 365912044 /nfs/dbraw/zinc/91/20/44/365912044.db2.gz PUDKSFVGOZJJHU-BBRMVZONSA-N 0 3 293.374 2.281 20 30 CEEDHN CC(C)(C#N)CCN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000611462472 347781458 /nfs/dbraw/zinc/78/14/58/347781458.db2.gz FRRSIKITGGPOJC-HNNXBMFYSA-N 0 3 279.428 2.113 20 30 CEEDHN C[C@@H](Cn1cncn1)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392428 347772444 /nfs/dbraw/zinc/77/24/44/347772444.db2.gz RBCLJHHOGVCHDT-BLLLJJGKSA-N 0 3 281.363 2.205 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000611404466 347774854 /nfs/dbraw/zinc/77/48/54/347774854.db2.gz OOWAYLYGEMVPCC-DGCLKSJQSA-N 0 3 264.325 2.491 20 30 CEEDHN C[C@H](O)CN(Cc1ccnc(C#N)c1)C1CCCCC1 ZINC000610992457 347728860 /nfs/dbraw/zinc/72/88/60/347728860.db2.gz HCVHTWNLPXMXFQ-ZDUSSCGKSA-N 0 3 273.380 2.469 20 30 CEEDHN CC(C)(C)CN(CCCO)Cc1ccnc(C#N)c1 ZINC000610992697 347729054 /nfs/dbraw/zinc/72/90/54/347729054.db2.gz CJNDDFFRJWMLQH-UHFFFAOYSA-N 0 3 261.369 2.184 20 30 CEEDHN COC(=O)CC1(NCc2ccnc(C#N)c2)CCCCC1 ZINC000610995125 347729919 /nfs/dbraw/zinc/72/99/19/347729919.db2.gz MDHCHXZZYDJUSL-UHFFFAOYSA-N 0 3 287.363 2.309 20 30 CEEDHN CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1ccccc1C#N ZINC000611120922 347741575 /nfs/dbraw/zinc/74/15/75/347741575.db2.gz JBQCEFPJUJDXFI-PBHICJAKSA-N 0 3 285.391 2.295 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC2(CCOC2)CC1 ZINC000611178361 347747964 /nfs/dbraw/zinc/74/79/64/347747964.db2.gz VGQHPBLPYSJQCR-UHFFFAOYSA-N 0 3 286.375 2.440 20 30 CEEDHN COCC1(N(C)CCOc2ccccc2C#N)CC1 ZINC000611178799 347748396 /nfs/dbraw/zinc/74/83/96/347748396.db2.gz OMZRAJKTWYNCAM-UHFFFAOYSA-N 0 3 260.337 2.048 20 30 CEEDHN N#Cc1ccc(NC(=O)CCN2CC[C@H](C(F)F)C2)cc1 ZINC000611180125 347748771 /nfs/dbraw/zinc/74/87/71/347748771.db2.gz SDPBWDCOIZGCTO-LBPRGKRZSA-N 0 3 293.317 2.474 20 30 CEEDHN C[C@H](N[C@H](Cc1ccccc1)C(N)=O)c1cccc(C#N)c1 ZINC000612462076 347890240 /nfs/dbraw/zinc/89/02/40/347890240.db2.gz IYLDOLDINQMQJU-SUMWQHHRSA-N 0 3 293.370 2.305 20 30 CEEDHN CN1CCCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613409010 348041250 /nfs/dbraw/zinc/04/12/50/348041250.db2.gz DURXMLLWPLNQEC-UHFFFAOYSA-N 0 3 272.396 2.393 20 30 CEEDHN CN(C)CCN(C)c1nc(C(C)(C)C)ccc1C#N ZINC000613425673 348043987 /nfs/dbraw/zinc/04/39/87/348043987.db2.gz CCEXPFPLFCIOAM-UHFFFAOYSA-N 0 3 260.385 2.249 20 30 CEEDHN CCn1nc(CNC2CCN(CC#N)CC2)c2ccccc21 ZINC000613656889 348084688 /nfs/dbraw/zinc/08/46/88/348084688.db2.gz JPOHESFUHNCKLM-UHFFFAOYSA-N 0 3 297.406 2.134 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCN(C)[C@@H](C)[C@@H]1C ZINC000614403252 348194965 /nfs/dbraw/zinc/19/49/65/348194965.db2.gz MZHUYJSYFGZFCU-KBPBESRZSA-N 0 3 257.381 2.391 20 30 CEEDHN COc1ccc(CN2C[C@H](C)N(C)C[C@@H]2C)cc1C#N ZINC000351951894 219261458 /nfs/dbraw/zinc/26/14/58/219261458.db2.gz OZBCIAOFHBUELY-STQMWFEESA-N 0 3 273.380 2.091 20 30 CEEDHN Cc1c([C@H](C)NC2CCN(CC#N)CC2)cnn1C(C)C ZINC000615756434 348386749 /nfs/dbraw/zinc/38/67/49/348386749.db2.gz JXMVHGIIDGIANW-ZDUSSCGKSA-N 0 3 289.427 2.411 20 30 CEEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(C)nc2)n1 ZINC000616177109 348452011 /nfs/dbraw/zinc/45/20/11/348452011.db2.gz STYWCVCBRAAAFT-NSHDSACASA-N 0 3 272.333 2.401 20 30 CEEDHN C=CCC[C@H](C)[NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F ZINC000273442478 192150570 /nfs/dbraw/zinc/15/05/70/192150570.db2.gz NAMHKXCYXRHLQW-CMPLNLGQSA-N 0 3 291.317 2.114 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000617782763 348790789 /nfs/dbraw/zinc/79/07/89/348790789.db2.gz MDNVRWJPZOQGMD-UONOGXRCSA-N 0 3 252.402 2.387 20 30 CEEDHN COCCN(Cc1ccc(C#N)cc1C)[C@@H]1CCOC1 ZINC000618779156 349040838 /nfs/dbraw/zinc/04/08/38/349040838.db2.gz NQQAHHGTYUUOHV-MRXNPFEDSA-N 0 3 274.364 2.104 20 30 CEEDHN C[C@@H](CC(=O)N(C)C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618801935 349043381 /nfs/dbraw/zinc/04/33/81/349043381.db2.gz CEFCZFVKQXCLAB-XHDPSFHLSA-N 0 3 271.364 2.002 20 30 CEEDHN N#Cc1cncc(N[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000401373053 233181793 /nfs/dbraw/zinc/18/17/93/233181793.db2.gz ISJQGACSKXPUML-OAHLLOKOSA-N 0 3 293.374 2.425 20 30 CEEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H]1F ZINC000619388054 349167795 /nfs/dbraw/zinc/16/77/95/349167795.db2.gz DWKJWIVBSPJJHG-KCXAZCMYSA-N 0 3 299.349 2.447 20 30 CEEDHN C#CCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000068562067 362943195 /nfs/dbraw/zinc/94/31/95/362943195.db2.gz QZCVAWZGVCKFPE-UHFFFAOYSA-N 0 3 293.798 2.046 20 30 CEEDHN CN1CC=C(CNc2nc3c(cc2C#N)CCC3)CC1 ZINC000274034622 192412097 /nfs/dbraw/zinc/41/20/97/192412097.db2.gz XIAHPTFORXDTGD-UHFFFAOYSA-N 0 3 268.364 2.116 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NCC(F)(F)CC)CC1 ZINC000623579378 350057174 /nfs/dbraw/zinc/05/71/74/350057174.db2.gz ZHFUBGLLFCZNDJ-UHFFFAOYSA-N 0 3 289.370 2.371 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@H](CCC)OCC)CC1 ZINC000623635143 350071373 /nfs/dbraw/zinc/07/13/73/350071373.db2.gz WNYFPNQVJARSSH-HNNXBMFYSA-N 0 3 297.443 2.141 20 30 CEEDHN C=CC[C@@H]1CCN(C(=O)NC2CCN(CC=C)CC2)C1 ZINC000623634972 350071847 /nfs/dbraw/zinc/07/18/47/350071847.db2.gz LGSYLJXNWWDFCN-CQSZACIVSA-N 0 3 277.412 2.244 20 30 CEEDHN C#CCOc1ccccc1CN(C)C[C@H]1CCC[C@H]1O ZINC000271288033 191051621 /nfs/dbraw/zinc/05/16/21/191051621.db2.gz QXKMIACVYVXJEI-GDBMZVCRSA-N 0 3 273.376 2.291 20 30 CEEDHN C[C@@H]1[C@@H](CO)CCCN1CCOc1cccc(C#N)c1 ZINC000412101776 233340137 /nfs/dbraw/zinc/34/01/37/233340137.db2.gz ZCGUHTQSZWGQNZ-UKRRQHHQSA-N 0 3 274.364 2.030 20 30 CEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)o1 ZINC000091892723 180280600 /nfs/dbraw/zinc/28/06/00/180280600.db2.gz QFOVUGZSVGQWOU-OLZOCXBDSA-N 0 3 259.353 2.210 20 30 CEEDHN C=C(C)CN1CCC(NCc2c(C)noc2C)CC1 ZINC000106245876 186105200 /nfs/dbraw/zinc/10/52/00/186105200.db2.gz QIIZGUMICQAACG-UHFFFAOYSA-N 0 3 263.385 2.422 20 30 CEEDHN CN(C)CCSCc1nnc(-c2cccc(C#N)c2)o1 ZINC000339745747 215323242 /nfs/dbraw/zinc/32/32/42/215323242.db2.gz ZGUCQLMUYHJWPK-UHFFFAOYSA-N 0 3 288.376 2.403 20 30 CEEDHN CCCO[C@H]1CCCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000108397256 186215827 /nfs/dbraw/zinc/21/58/27/186215827.db2.gz CYKNXOYYWLIASW-GJZGRUSLSA-N 0 3 295.427 2.028 20 30 CEEDHN C#CCCOc1ccc(CN2C[C@@H](O)[C@@H](CC)C2)cc1 ZINC000271389437 191111644 /nfs/dbraw/zinc/11/16/44/191111644.db2.gz SUNWUWHMHHBBMD-DOTOQJQBSA-N 0 3 273.376 2.291 20 30 CEEDHN C=CC1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000111260376 186380874 /nfs/dbraw/zinc/38/08/74/186380874.db2.gz HFCBFLAUTQLPCO-LBPRGKRZSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCNC(=O)CN(CC=C)CC1CCCCC1 ZINC000069859703 363009295 /nfs/dbraw/zinc/00/92/95/363009295.db2.gz XEKRYKNAPFNGEG-UHFFFAOYSA-N 0 3 250.386 2.357 20 30 CEEDHN C=CC[C@@H]1CCN(Cc2cnc(N3CCOCC3)s2)C1 ZINC000628405791 351093469 /nfs/dbraw/zinc/09/34/69/351093469.db2.gz UQISTGVZEHVDKC-CYBMUJFWSA-N 0 3 293.436 2.378 20 30 CEEDHN C=CCOCCCC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000628976082 351230300 /nfs/dbraw/zinc/23/03/00/351230300.db2.gz SKLHNMVYMFHPCN-HNNXBMFYSA-N 0 3 280.412 2.102 20 30 CEEDHN CC[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C#N)cc1 ZINC000271434721 191134730 /nfs/dbraw/zinc/13/47/30/191134730.db2.gz BFWVDMBCAZDREO-XJKSGUPXSA-N 0 3 285.391 2.437 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)C(=O)CC1CCN(C)CC1 ZINC000291493770 198037146 /nfs/dbraw/zinc/03/71/46/198037146.db2.gz OGHZYBIDUUVWSW-UHFFFAOYSA-N 0 3 285.391 2.249 20 30 CEEDHN N#CC1(CCCN2CCN(C3CCC3)CC2)CCOCC1 ZINC000337172700 366050680 /nfs/dbraw/zinc/05/06/80/366050680.db2.gz GSTOURXRUFCSFQ-UHFFFAOYSA-N 0 3 291.439 2.257 20 30 CEEDHN CCCNC(=O)C1CCN(CCC(C)(C)C#N)CC1 ZINC000131544859 366064736 /nfs/dbraw/zinc/06/47/36/366064736.db2.gz CGMCHAZTNQCAHN-UHFFFAOYSA-N 0 3 265.401 2.164 20 30 CEEDHN N#Cc1ccc(CNC[C@H]2CSCCS2)cc1 ZINC000122374275 187029214 /nfs/dbraw/zinc/02/92/14/187029214.db2.gz ABJQRAQJJHQJCZ-ZDUSSCGKSA-N 0 3 264.419 2.496 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(Br)s1 ZINC000070559694 363095366 /nfs/dbraw/zinc/09/53/66/363095366.db2.gz JCBIAULIOZUBDJ-LURJTMIESA-N 0 3 273.155 2.286 20 30 CEEDHN CC(=O)CCN1CCCN(c2ccccc2C#N)CC1 ZINC000123918845 187114719 /nfs/dbraw/zinc/11/47/19/187114719.db2.gz CKXHJRHXUBQINI-UHFFFAOYSA-N 0 3 271.364 2.049 20 30 CEEDHN C=CCOc1cccc(NC(=O)C2(N)CCCC2)c1 ZINC000237807078 539869760 /nfs/dbraw/zinc/86/97/60/539869760.db2.gz BPEVPNASYHVKTK-UHFFFAOYSA-N 0 3 260.337 2.461 20 30 CEEDHN C=C(CNC(=O)N[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000672753986 539935090 /nfs/dbraw/zinc/93/50/90/539935090.db2.gz GADZVLSRMMFXNS-OAHLLOKOSA-N 0 3 273.380 2.093 20 30 CEEDHN C#CCSCCNCc1ccc(NC(C)=O)cc1 ZINC000152951999 188054991 /nfs/dbraw/zinc/05/49/91/188054991.db2.gz MBHDRPTWZRUYOC-UHFFFAOYSA-N 0 3 262.378 2.101 20 30 CEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1sccc1C#N ZINC000336435097 213296648 /nfs/dbraw/zinc/29/66/48/213296648.db2.gz XFTNNZPOPCJQER-LLVKDONJSA-N 0 3 291.420 2.422 20 30 CEEDHN CC(C)[C@@H](C#N)NC(=O)c1cccc(CN(C)C)c1 ZINC000073495016 363223444 /nfs/dbraw/zinc/22/34/44/363223444.db2.gz ALBTUBUDIMSKLU-CQSZACIVSA-N 0 3 259.353 2.026 20 30 CEEDHN C#CCCCCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000159008155 188403666 /nfs/dbraw/zinc/40/36/66/188403666.db2.gz VUULQZGHZBZLLP-INIZCTEOSA-N 0 3 287.407 2.392 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC(C)(CC)CC1 ZINC000337698113 366169271 /nfs/dbraw/zinc/16/92/71/366169271.db2.gz VATHCJMZUMSFAJ-UHFFFAOYSA-N 0 3 265.401 2.261 20 30 CEEDHN CCC[C@H](C(=O)NCC#Cc1cccc(F)c1)N(C)C ZINC000338154004 366214054 /nfs/dbraw/zinc/21/40/54/366214054.db2.gz GXWMUAHXLSBEGF-OAHLLOKOSA-N 0 3 276.355 2.024 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)NCCN1CCC[C@H](C)C1 ZINC000338152915 366214393 /nfs/dbraw/zinc/21/43/93/366214393.db2.gz NSEWYAOUASQKEK-ZDUSSCGKSA-N 0 3 285.391 2.328 20 30 CEEDHN N#CC1(C(=O)NC[C@@H]2CCCCN2C2CC2)CCOCC1 ZINC000329963438 283041857 /nfs/dbraw/zinc/04/18/57/283041857.db2.gz SPWKYMXREQRHJK-AWEZNQCLSA-N 0 3 291.395 2.280 20 30 CEEDHN N#Cc1c(F)cccc1N1CC[C@H](N2CC=CC2)C1 ZINC000266247380 283075589 /nfs/dbraw/zinc/07/55/89/283075589.db2.gz MMJABXHFAVKBGH-LBPRGKRZSA-N 0 3 257.312 2.148 20 30 CEEDHN C=CC[C@@H](CO)NCc1cnc([C@H]2CCCO2)s1 ZINC000273542094 192193640 /nfs/dbraw/zinc/19/36/40/192193640.db2.gz XGQJHLNXAFFQPO-CMPLNLGQSA-N 0 3 268.382 2.021 20 30 CEEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)s2)[C@]12CCCO2 ZINC000273591265 192218966 /nfs/dbraw/zinc/21/89/66/192218966.db2.gz JUKZNXKKDFZLIK-RBSFLKMASA-N 0 3 292.404 2.436 20 30 CEEDHN C[C@@H](CNC(=O)C1(C#N)CCCCC1)N(C)C1CC1 ZINC000075572500 363475968 /nfs/dbraw/zinc/47/59/68/363475968.db2.gz ZCQAOOVBUKLGHF-LBPRGKRZSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@H]1CN(C(=O)c2ccc(C#N)o2)CCN(C2CCC2)C1 ZINC000336345307 213193826 /nfs/dbraw/zinc/19/38/26/213193826.db2.gz FLHBFCVFJZZIHI-GFCCVEGCSA-N 0 3 287.363 2.098 20 30 CEEDHN CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(C2CC2)C1 ZINC000336324152 213169303 /nfs/dbraw/zinc/16/93/03/213169303.db2.gz LPKAIZMWRBSRQC-OAHLLOKOSA-N 0 3 284.363 2.259 20 30 CEEDHN C=CCN1C[C@@H](C(=O)OC)C[C@@H](c2ccccc2)C1 ZINC000135449971 366440792 /nfs/dbraw/zinc/44/07/92/366440792.db2.gz OKBLKCLTZCSWEF-CABCVRRESA-N 0 3 259.349 2.451 20 30 CEEDHN N#Cc1cccc(CCNC(=O)C2CCN(C3CC3)CC2)c1 ZINC000338911862 366568751 /nfs/dbraw/zinc/56/87/51/366568751.db2.gz BNHPHIRNSUFUEQ-UHFFFAOYSA-N 0 3 297.402 2.091 20 30 CEEDHN C=CCCOCC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000673310082 540664450 /nfs/dbraw/zinc/66/44/50/540664450.db2.gz MACAQFMOWLHUJW-OAHLLOKOSA-N 0 3 294.370 2.137 20 30 CEEDHN C[C@H](CNc1ccnc(C#N)c1)N1CCc2ccccc2C1 ZINC000341740269 216085821 /nfs/dbraw/zinc/08/58/21/216085821.db2.gz GAPODKXLQHVIAD-CQSZACIVSA-N 0 3 292.386 2.234 20 30 CEEDHN Cc1cnc(CCN[C@H]2CCc3ccc(C#N)cc32)nc1 ZINC000571250016 299301445 /nfs/dbraw/zinc/30/14/45/299301445.db2.gz SWDHMFGWHBYBCN-INIZCTEOSA-N 0 3 278.359 2.476 20 30 CEEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NC(=O)NCC=C ZINC000150874374 366602054 /nfs/dbraw/zinc/60/20/54/366602054.db2.gz NKDZJVCIVOTBMQ-ZDUSSCGKSA-N 0 3 281.400 2.065 20 30 CEEDHN CCN(CC(=O)NCc1cccc(C#N)c1)C1CCCC1 ZINC000339084074 366646152 /nfs/dbraw/zinc/64/61/52/366646152.db2.gz IAONKCZUMBXBGJ-UHFFFAOYSA-N 0 3 285.391 2.439 20 30 CEEDHN COc1cccc([C@H](O)CNCc2ccc(C#N)s2)c1 ZINC000176967785 189017185 /nfs/dbraw/zinc/01/71/85/189017185.db2.gz YUANJIGMOGOEJR-OAHLLOKOSA-N 0 3 288.372 2.452 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(C#N)cs2)CCN1C ZINC000177094879 189027901 /nfs/dbraw/zinc/02/79/01/189027901.db2.gz ANAUUTYAGBYONZ-PWSUYJOCSA-N 0 3 277.393 2.174 20 30 CEEDHN N#Cc1ccc(CN(CC[C@H]2CCOC2=O)C2CC2)cc1 ZINC000177660054 189061439 /nfs/dbraw/zinc/06/14/39/189061439.db2.gz IPKNAUTXHDNSGW-HNNXBMFYSA-N 0 3 284.359 2.476 20 30 CEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(C#N)cs2)C1 ZINC000178525172 189124026 /nfs/dbraw/zinc/12/40/26/189124026.db2.gz CEDDOOLANSLMCH-CHWSQXEVSA-N 0 3 289.404 2.176 20 30 CEEDHN C=CCN[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179652280 189210268 /nfs/dbraw/zinc/21/02/68/189210268.db2.gz QCYGKJXQWSCBBJ-GFCCVEGCSA-N 0 3 274.364 2.181 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@H](C)c2ccncc2)CC1 ZINC000676110630 540898650 /nfs/dbraw/zinc/89/86/50/540898650.db2.gz HOWTUSBNZWJBBE-AWEZNQCLSA-N 0 3 287.407 2.342 20 30 CEEDHN COCC#CCN(C[C@H]1CCCO1)C1CCCC1 ZINC000677133006 540983543 /nfs/dbraw/zinc/98/35/43/540983543.db2.gz CARUFFBICXWFKV-OAHLLOKOSA-N 0 3 251.370 2.060 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000677047898 540975906 /nfs/dbraw/zinc/97/59/06/540975906.db2.gz JOJHWUHVVCDPGW-MRXNPFEDSA-N 0 3 294.439 2.084 20 30 CEEDHN N#Cc1ccc(OCCN2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000152892391 366719335 /nfs/dbraw/zinc/71/93/35/366719335.db2.gz CAHQRWKVHRRYLS-NVXWUHKLSA-N 0 3 286.375 2.438 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)Nc2cccc(C#N)c2)CCCN1C ZINC000342348514 216318550 /nfs/dbraw/zinc/31/85/50/216318550.db2.gz VKPUWDHLFITENN-RISCZKNCSA-N 0 3 272.352 2.162 20 30 CEEDHN COCC#CCN1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000678045237 541071789 /nfs/dbraw/zinc/07/17/89/541071789.db2.gz CXKGRZSKCAWAEP-SJORKVTESA-N 0 3 286.419 2.231 20 30 CEEDHN CCCN1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000019484661 361538948 /nfs/dbraw/zinc/53/89/48/361538948.db2.gz MUCSSWSHKYFMQQ-UHFFFAOYSA-N 0 3 261.344 2.225 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000342449238 216356421 /nfs/dbraw/zinc/35/64/21/216356421.db2.gz NCHHBNKJAVEVHP-GUYCJALGSA-N 0 3 297.402 2.090 20 30 CEEDHN C=CCCC[C@@H](C)N1CCN(CC(=O)NCCCC)CC1 ZINC000678714720 541164880 /nfs/dbraw/zinc/16/48/80/541164880.db2.gz LLQWRBFZHKLYLR-MRXNPFEDSA-N 0 3 295.471 2.265 20 30 CEEDHN C=CCCC[C@H](C)Nc1nccc(N2CCOCC2)n1 ZINC000678833043 541181313 /nfs/dbraw/zinc/18/13/13/541181313.db2.gz UZFARONYAZNMNV-ZDUSSCGKSA-N 0 3 276.384 2.470 20 30 CEEDHN COCC#CCN1CC[C@H](COc2ccccc2)C1 ZINC000679541893 541286970 /nfs/dbraw/zinc/28/69/70/541286970.db2.gz QRHOXUDMNILAQE-HNNXBMFYSA-N 0 3 259.349 2.037 20 30 CEEDHN COCCCN(CCOC)Cc1ccc(OC)c(C#N)c1 ZINC000087833281 363871975 /nfs/dbraw/zinc/87/19/75/363871975.db2.gz LUEGLDSDHGIICJ-UHFFFAOYSA-N 0 3 292.379 2.052 20 30 CEEDHN CCCN1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000087833114 363872023 /nfs/dbraw/zinc/87/20/23/363872023.db2.gz JRLKGJNUZDUVQY-UHFFFAOYSA-N 0 3 273.380 2.094 20 30 CEEDHN C=CCOc1ccccc1CN(C)C[C@H](C)C(=O)OC ZINC000091986000 364072872 /nfs/dbraw/zinc/07/28/72/364072872.db2.gz RPWQYDWBLVHMAS-ZDUSSCGKSA-N 0 3 277.364 2.492 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCCSCC1 ZINC000089983244 364027770 /nfs/dbraw/zinc/02/77/70/364027770.db2.gz BFUIBXOEISEDRZ-ZDUSSCGKSA-N 0 3 268.426 2.014 20 30 CEEDHN Cc1cn2c(n1)CC[C@H](NCc1ccc(C#N)cc1)C2 ZINC000237880237 370756039 /nfs/dbraw/zinc/75/60/39/370756039.db2.gz INFACCZHOPBFDM-HNNXBMFYSA-N 0 3 266.348 2.168 20 30 CEEDHN C[C@@H](C#N)CNCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000094010445 364246629 /nfs/dbraw/zinc/24/66/29/364246629.db2.gz YFVIBPZROFZGMJ-LBPRGKRZSA-N 0 3 281.400 2.383 20 30 CEEDHN CC#CCN1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 ZINC000157861001 366848818 /nfs/dbraw/zinc/84/88/18/366848818.db2.gz LZLSJOJCCGTYGO-KBPBESRZSA-N 0 3 250.386 2.027 20 30 CEEDHN N#Cc1cc(F)ccc1CN1CCN(CC2CC2)CC1 ZINC000103141025 364632367 /nfs/dbraw/zinc/63/23/67/364632367.db2.gz PMCKMKPFIROVRX-UHFFFAOYSA-N 0 3 273.355 2.225 20 30 CEEDHN N#CCCC1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000335419999 364711686 /nfs/dbraw/zinc/71/16/86/364711686.db2.gz VDCADPZLPFVPJY-QGZVFWFLSA-N 0 3 297.402 2.416 20 30 CEEDHN Cn1cc(CN[C@H]2CCCN(c3ccccc3C#N)C2)cn1 ZINC000109078256 364717608 /nfs/dbraw/zinc/71/76/08/364717608.db2.gz UTKPEIUKNCCBCB-INIZCTEOSA-N 0 3 295.390 2.050 20 30 CEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C1(C#N)CCCC1 ZINC000335489573 364791880 /nfs/dbraw/zinc/79/18/80/364791880.db2.gz MLTDPRMOLKYHOQ-CYBMUJFWSA-N 0 3 277.412 2.259 20 30 CEEDHN CC(C)(O)[C@H]1CCCN1Cc1cccc(C#N)c1F ZINC000335746838 364922032 /nfs/dbraw/zinc/92/20/32/364922032.db2.gz ZNPUIMUSSVYDHN-CYBMUJFWSA-N 0 3 262.328 2.433 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)C1CC1)C(C)C ZINC000114931475 364973657 /nfs/dbraw/zinc/97/36/57/364973657.db2.gz BTFHGWINOQOXRT-HNNXBMFYSA-N 0 3 279.428 2.489 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000335824746 365034284 /nfs/dbraw/zinc/03/42/84/365034284.db2.gz XFIJJKABHVSDSK-IAQYHMDHSA-N 0 3 260.312 2.475 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000335858768 365080381 /nfs/dbraw/zinc/08/03/81/365080381.db2.gz HWKYYTUSXHFFOM-KRWDZBQOSA-N 0 3 297.402 2.393 20 30 CEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(C#N)c2)C1 ZINC000119099753 365216335 /nfs/dbraw/zinc/21/63/35/365216335.db2.gz GGUCIFDVQJTNIO-HZPDHXFCSA-N 0 3 283.375 2.115 20 30 CEEDHN C[C@@H](N[C@H]1CNCCC1(F)F)c1ccc(C#N)cc1F ZINC000335567917 212277700 /nfs/dbraw/zinc/27/77/00/212277700.db2.gz IIFIJIKBQSZZHH-RNCFNFMXSA-N 0 3 283.297 2.345 20 30 CEEDHN Cn1ccnc1[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000335997517 365270844 /nfs/dbraw/zinc/27/08/44/365270844.db2.gz CDVOQFNMUUZTEU-NSHDSACASA-N 0 3 272.377 2.343 20 30 CEEDHN CN(Cc1ccc(C#N)c(F)c1)[C@@H]1CCCC[C@H]1O ZINC000336086205 365388543 /nfs/dbraw/zinc/38/85/43/365388543.db2.gz CBSIKDJEAHTKKS-HUUCEWRRSA-N 0 3 262.328 2.433 20 30 CEEDHN N#CCCCCN1CCC(N2CCCCC2=O)CC1 ZINC000120319731 365406417 /nfs/dbraw/zinc/40/64/17/365406417.db2.gz OXKMHQOSLQZAJJ-UHFFFAOYSA-N 0 3 263.385 2.157 20 30 CEEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cscc1C#N ZINC000336114298 365428095 /nfs/dbraw/zinc/42/80/95/365428095.db2.gz DRIRXKALEYDHRA-DGCLKSJQSA-N 0 3 289.404 2.319 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC[C@@H]1c1ccc(COC)o1 ZINC000681039568 541490890 /nfs/dbraw/zinc/49/08/90/541490890.db2.gz MHQDQJAKWXLJGL-KGLIPLIRSA-N 0 3 265.353 2.500 20 30 CEEDHN N#CCC1(CNC(=O)[C@@H]2CCCN2C2CCCC2)CC1 ZINC000583850289 367104660 /nfs/dbraw/zinc/10/46/60/367104660.db2.gz CAVLIGDKPOEMNR-AWEZNQCLSA-N 0 3 275.396 2.203 20 30 CEEDHN CCN(CCNC(=O)C(C)C#N)c1ccccc1C ZINC000357818327 370828890 /nfs/dbraw/zinc/82/88/90/370828890.db2.gz HLQNEYIFVJNJIL-ZDUSSCGKSA-N 0 3 259.353 2.097 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1[C@@H](C)[C@@H](OC)C1(CC)CC ZINC000245609887 370848848 /nfs/dbraw/zinc/84/88/48/370848848.db2.gz NPMOHNNJYPMOPP-XJFOESAGSA-N 0 3 282.428 2.106 20 30 CEEDHN C=CC[C@H](CO)CNCc1cc(F)c(F)c(F)c1 ZINC000341253312 367247911 /nfs/dbraw/zinc/24/79/11/367247911.db2.gz BQRSMIQQMGNZDA-VIFPVBQESA-N 0 3 259.271 2.378 20 30 CEEDHN C=CC[C@H](CO)CNCc1cnc(-c2ccncc2)s1 ZINC000341270406 367258370 /nfs/dbraw/zinc/25/83/70/367258370.db2.gz LTDINPDTJSPGCO-LBPRGKRZSA-N 0 3 289.404 2.479 20 30 CEEDHN C=CCC[C@@H](O)CN[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000342316385 367399767 /nfs/dbraw/zinc/39/97/67/367399767.db2.gz BYTZLGRQYARENZ-KGLIPLIRSA-N 0 3 265.401 2.424 20 30 CEEDHN CO[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000170820947 367425283 /nfs/dbraw/zinc/42/52/83/367425283.db2.gz BZENKROIBZMSQN-HNNXBMFYSA-N 0 3 260.337 2.048 20 30 CEEDHN CN(CCOc1ccccc1C#N)CC[C@H]1CCCO1 ZINC000342580552 367433033 /nfs/dbraw/zinc/43/30/33/367433033.db2.gz FJFGVRCJJWGWGS-OAHLLOKOSA-N 0 3 274.364 2.438 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CC[C@H]1CCCO1 ZINC000342603374 367446653 /nfs/dbraw/zinc/44/66/53/367446653.db2.gz MJWSODAXIDXQDO-HUUCEWRRSA-N 0 3 280.412 2.076 20 30 CEEDHN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000342605107 367448372 /nfs/dbraw/zinc/44/83/72/367448372.db2.gz ZZAUTEKJTXRGII-RYUDHWBXSA-N 0 3 250.386 2.330 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCCN1C1CCCC1 ZINC000343233135 367715656 /nfs/dbraw/zinc/71/56/56/367715656.db2.gz IGEVEXYPUJCQOD-DZGCQCFKSA-N 0 3 277.412 2.402 20 30 CEEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000632768692 367908707 /nfs/dbraw/zinc/90/87/07/367908707.db2.gz WJDYKJKZCPFMSK-AWEZNQCLSA-N 0 3 262.397 2.476 20 30 CEEDHN C=CCC(CC=C)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000343608209 367912605 /nfs/dbraw/zinc/91/26/05/367912605.db2.gz GDASYNTTWYSIKL-UHFFFAOYSA-N 0 3 294.439 2.324 20 30 CEEDHN C[C@@H]1[C@@H](NC(=O)CCc2ccc(C#N)cc2)CCCN1C ZINC000343574300 367892895 /nfs/dbraw/zinc/89/28/95/367892895.db2.gz WEPKXTIAISQPSL-CJNGLKHVSA-N 0 3 285.391 2.090 20 30 CEEDHN C=CCN(CC=C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343584605 367900538 /nfs/dbraw/zinc/90/05/38/367900538.db2.gz CCDPQTDZQSQVRU-CYBMUJFWSA-N 0 3 269.352 2.397 20 30 CEEDHN C=CCC[C@H](NC[C@@](C)(O)C(=O)OC)c1ccccc1 ZINC000343744988 367983207 /nfs/dbraw/zinc/98/32/07/367983207.db2.gz VXUOIELPQRRWHR-GOEBONIOSA-N 0 3 277.364 2.208 20 30 CEEDHN CC(=O)C[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000343876234 368053379 /nfs/dbraw/zinc/05/33/79/368053379.db2.gz VJXQHSUSMDKPDL-DOMZBBRYSA-N 0 3 272.348 2.243 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CCCN(C)CC1 ZINC000343811421 368017324 /nfs/dbraw/zinc/01/73/24/368017324.db2.gz IJMVEYUNKUGIIO-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000343816247 368020203 /nfs/dbraw/zinc/02/02/03/368020203.db2.gz LFYLZBLEHARSTG-GXTWGEPZSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](C2CC2)C1 ZINC000344057592 368104604 /nfs/dbraw/zinc/10/46/04/368104604.db2.gz WEGCRHNJGNCDMU-ZFWWWQNUSA-N 0 3 262.397 2.307 20 30 CEEDHN CCN(CCC#N)C(=O)CN(C)C[C@@H]1CC=CCC1 ZINC000344074748 368106137 /nfs/dbraw/zinc/10/61/37/368106137.db2.gz UPYZISANQHYWRK-CQSZACIVSA-N 0 3 263.385 2.037 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H](C(C)(C)C)C1 ZINC000344208224 368114424 /nfs/dbraw/zinc/11/44/24/368114424.db2.gz JZCGTFBMCXCGGD-BBRMVZONSA-N 0 3 279.428 2.409 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@H](C(C)(C)C)C1 ZINC000344208227 368115046 /nfs/dbraw/zinc/11/50/46/368115046.db2.gz JZCGTFBMCXCGGD-XJKSGUPXSA-N 0 3 279.428 2.409 20 30 CEEDHN COCc1ccc([C@@H]2CCCN2C(=O)C(C)C#N)o1 ZINC000345180669 368183223 /nfs/dbraw/zinc/18/32/23/368183223.db2.gz SCNTUHMFUWJBDD-JQWIXIFHSA-N 0 3 262.309 2.249 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)c2ccccc2)s1 ZINC000176957238 368256438 /nfs/dbraw/zinc/25/64/38/368256438.db2.gz CNGVYCXUHRYEPG-UHFFFAOYSA-N 0 3 285.372 2.139 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000633594866 368316375 /nfs/dbraw/zinc/31/63/75/368316375.db2.gz XHGRNNGQHFUIAC-KBPBESRZSA-N 0 3 262.397 2.476 20 30 CEEDHN Cc1c(CN[C@H](C)c2ccc(OCC#N)cc2)cnn1C ZINC000179085207 368322126 /nfs/dbraw/zinc/32/21/26/368322126.db2.gz VXRCTJGLKHODTB-GFCCVEGCSA-N 0 3 284.363 2.482 20 30 CEEDHN N#Cc1csc(CNCCC(=O)NCc2ccccc2)c1 ZINC000177693257 368279978 /nfs/dbraw/zinc/27/99/78/368279978.db2.gz WYCMIXVEDCVCMH-UHFFFAOYSA-N 0 3 299.399 2.416 20 30 CEEDHN C=CCCN1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000178040047 368286514 /nfs/dbraw/zinc/28/65/14/368286514.db2.gz CLKFHINQGKCBRX-UHFFFAOYSA-N 0 3 290.382 2.479 20 30 CEEDHN C#CCSCCN[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000181099979 368421601 /nfs/dbraw/zinc/42/16/01/368421601.db2.gz YQCJAJVIJBBXAL-KPZWWZAWSA-N 0 3 281.446 2.441 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000180902353 368400778 /nfs/dbraw/zinc/40/07/78/368400778.db2.gz GSLULNMULXAQDZ-KBPBESRZSA-N 0 3 267.417 2.372 20 30 CEEDHN Cc1ccc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000180873380 368401769 /nfs/dbraw/zinc/40/17/69/368401769.db2.gz ANNHQMAQGBMMHC-VLUKHXRESA-N 0 3 299.374 2.172 20 30 CEEDHN C=CCNC(=O)CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181205382 368431073 /nfs/dbraw/zinc/43/10/73/368431073.db2.gz KPQNBHZIJAKLJD-GDBMZVCRSA-N 0 3 288.391 2.046 20 30 CEEDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cccc(C#N)c1)CC2 ZINC000181664634 368480145 /nfs/dbraw/zinc/48/01/45/368480145.db2.gz FVIJVNSIMPFSEP-XHDPSFHLSA-N 0 3 281.363 2.124 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)C(C)(C)c1ccccc1 ZINC000181777328 368494410 /nfs/dbraw/zinc/49/44/10/368494410.db2.gz MQHIGXNFBMABCX-ZIAGYGMSSA-N 0 3 272.392 2.080 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2csnc2C)CC1 ZINC000181957525 368509725 /nfs/dbraw/zinc/50/97/25/368509725.db2.gz SUIYNUXWHXGPPH-UHFFFAOYSA-N 0 3 279.409 2.222 20 30 CEEDHN C[C@H](NC[C@@]1(CCO)CCOC1)c1ccc(C#N)c(F)c1 ZINC000346180089 368580486 /nfs/dbraw/zinc/58/04/86/368580486.db2.gz LSSHEWWEYRAXTK-BLLLJJGKSA-N 0 3 292.354 2.137 20 30 CEEDHN C[C@@H](CCS(C)(=O)=O)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346209270 368593361 /nfs/dbraw/zinc/59/33/61/368593361.db2.gz WZGUMIRJTGLPPG-QWRGUYRKSA-N 0 3 298.383 2.171 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](CC)C1 ZINC000246242053 370934454 /nfs/dbraw/zinc/93/44/54/370934454.db2.gz ODQGIYNKSJTBKD-KGLIPLIRSA-N 0 3 250.386 2.307 20 30 CEEDHN C[C@H](CO)N1CCCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000346675784 368764581 /nfs/dbraw/zinc/76/45/81/368764581.db2.gz JJQQAYWKGDXVGI-HUUCEWRRSA-N 0 3 287.407 2.008 20 30 CEEDHN C=CCN(CC=C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000634637675 368790722 /nfs/dbraw/zinc/79/07/22/368790722.db2.gz ZALHZUBZPAPIKO-GOSISDBHSA-N 0 3 286.419 2.297 20 30 CEEDHN C#C[C@H](C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000185363554 368796802 /nfs/dbraw/zinc/79/68/02/368796802.db2.gz HGPCMQLRDAHXKK-NSHDSACASA-N 0 3 270.332 2.246 20 30 CEEDHN C=CCOCCCN[C@H](CC(=O)N(C)C)c1ccccc1 ZINC000348044614 368870763 /nfs/dbraw/zinc/87/07/63/368870763.db2.gz HKEUFCQIIWZLEC-MRXNPFEDSA-N 0 3 290.407 2.388 20 30 CEEDHN C=CCC[C@H](O)CN[C@@H](CC)c1c(C)nn(C)c1C ZINC000348054174 368876285 /nfs/dbraw/zinc/87/62/85/368876285.db2.gz VLJNWKLYOCGWQN-KBPBESRZSA-N 0 3 265.401 2.405 20 30 CEEDHN C=CCOCCCN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000348060178 368879997 /nfs/dbraw/zinc/87/99/97/368879997.db2.gz RGHMOIRSSBJDQC-CQSZACIVSA-N 0 3 290.411 2.385 20 30 CEEDHN CN(Cc1ccoc1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348124719 368908685 /nfs/dbraw/zinc/90/86/85/368908685.db2.gz SZZBEANLOUUSBA-MRXNPFEDSA-N 0 3 293.326 2.492 20 30 CEEDHN C[C@H](NC[C@H](CO)c1cccnc1)c1ccc(C#N)cc1 ZINC000348210451 368952254 /nfs/dbraw/zinc/95/22/54/368952254.db2.gz CFDZJDYGZDLMHK-SUMWQHHRSA-N 0 3 281.359 2.380 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2C=CCCC2)cc1 ZINC000348327156 369004288 /nfs/dbraw/zinc/00/42/88/369004288.db2.gz WKZVDFCSNPLKKE-CVEARBPZSA-N 0 3 279.343 2.465 20 30 CEEDHN C=CC[C@@H](CO)N[C@@H](C)c1sc(CCOC)nc1C ZINC000186687192 369019984 /nfs/dbraw/zinc/01/99/84/369019984.db2.gz GXVMGYPQBNBDJY-JQWIXIFHSA-N 0 3 284.425 2.228 20 30 CEEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(OC)cc1OC ZINC000186714527 369026806 /nfs/dbraw/zinc/02/68/06/369026806.db2.gz AYXCECZRYCGYGL-NWDGAFQWSA-N 0 3 265.353 2.291 20 30 CEEDHN C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)CCCN1C ZINC000343589461 216836188 /nfs/dbraw/zinc/83/61/88/216836188.db2.gz GWFKPALCOALHGG-ZWNOBZJWSA-N 0 3 274.324 2.361 20 30 CEEDHN CSC[C@@H](O)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000187773982 369219920 /nfs/dbraw/zinc/21/99/20/369219920.db2.gz JZFYIKOXMAOAOZ-HNNXBMFYSA-N 0 3 278.421 2.493 20 30 CEEDHN C=CCCN(C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000276068731 193203908 /nfs/dbraw/zinc/20/39/08/193203908.db2.gz JQZGSRQKXDPEHB-UHFFFAOYSA-N 0 3 275.396 2.466 20 30 CEEDHN CC(C)OCC[C@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000349239248 369275177 /nfs/dbraw/zinc/27/51/77/369275177.db2.gz FUMKUCRSHYHHDN-INIZCTEOSA-N 0 3 276.380 2.166 20 30 CEEDHN C[C@@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCC1 ZINC000360106015 296142653 /nfs/dbraw/zinc/14/26/53/296142653.db2.gz ZKSPMLBRZLFXPP-IAQYHMDHSA-N 0 3 271.364 2.253 20 30 CEEDHN COCCOc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000349806761 369405882 /nfs/dbraw/zinc/40/58/82/369405882.db2.gz ZJQHIQGHMMEXOP-HUUCEWRRSA-N 0 3 274.364 2.494 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000349878272 369434745 /nfs/dbraw/zinc/43/47/45/369434745.db2.gz VQISWKRIMITNRW-KCQAQPDRSA-N 0 3 265.401 2.305 20 30 CEEDHN C#CCOc1ccc(CN(C)CCOCCOCC)cc1 ZINC000276129755 193221318 /nfs/dbraw/zinc/22/13/18/193221318.db2.gz CPOBIOKUVMRWTR-UHFFFAOYSA-N 0 3 291.391 2.184 20 30 CEEDHN CN(C)CCOc1ccc(NCc2cc(C#N)n(C)c2)cc1 ZINC000189588207 369543558 /nfs/dbraw/zinc/54/35/58/369543558.db2.gz GSXPOCURVHYHSF-UHFFFAOYSA-N 0 3 298.390 2.449 20 30 CEEDHN C=CCOc1ccc(C(=O)NC2(CN(C)C)CCC2)cc1 ZINC000351625007 369644990 /nfs/dbraw/zinc/64/49/90/369644990.db2.gz RPMHBMYPNOMZBG-UHFFFAOYSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H](C(=O)OC)C2)cc1 ZINC000351618928 369645986 /nfs/dbraw/zinc/64/59/86/369645986.db2.gz CTZOTKGJFOUONV-CQSZACIVSA-N 0 3 275.348 2.246 20 30 CEEDHN C[C@H](CCN1CCN(CC#N)CC1)c1ccccc1 ZINC000191073451 369674294 /nfs/dbraw/zinc/67/42/94/369674294.db2.gz QFCJOPYSNJYGLX-OAHLLOKOSA-N 0 3 257.381 2.321 20 30 CEEDHN CCc1nccn1[C@@H]1CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191343676 369702955 /nfs/dbraw/zinc/70/29/55/369702955.db2.gz LNVXQJVYVFPWLC-OAHLLOKOSA-N 0 3 297.406 2.493 20 30 CEEDHN CCCC[C@@H](C)N(C)CC(=O)NC1(C#N)CCC1 ZINC000352391399 369704667 /nfs/dbraw/zinc/70/46/67/369704667.db2.gz KRIKBUNIXAQNDA-GFCCVEGCSA-N 0 3 251.374 2.059 20 30 CEEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000191889812 369750571 /nfs/dbraw/zinc/75/05/71/369750571.db2.gz HCCGCLCPGRNWTP-OAHLLOKOSA-N 0 3 284.359 2.476 20 30 CEEDHN C#CCCCC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000192042316 369766925 /nfs/dbraw/zinc/76/69/25/369766925.db2.gz OFUGGUISUMSJCT-HNNXBMFYSA-N 0 3 262.397 2.267 20 30 CEEDHN C=CCN(C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000637718705 370046687 /nfs/dbraw/zinc/04/66/87/370046687.db2.gz JGEQDBPXMLMSDP-MRXNPFEDSA-N 0 3 287.407 2.397 20 30 CEEDHN C[C@@H]1CCCC[C@H]1N(C)CC(=O)N(CCC#N)CCC#N ZINC000193959596 369995416 /nfs/dbraw/zinc/99/54/16/369995416.db2.gz KFCIAKDSGOMQKF-HUUCEWRRSA-N 0 3 290.411 2.153 20 30 CEEDHN CCCN1CCC(Nc2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000233030211 370517086 /nfs/dbraw/zinc/51/70/86/370517086.db2.gz QKLIAJYDUHQDMO-UHFFFAOYSA-N 0 3 289.339 2.148 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H]1C[C@@H](OC)C1(C)C ZINC000234839195 370545158 /nfs/dbraw/zinc/54/51/58/370545158.db2.gz QIBOTFLFMYADNT-HUUCEWRRSA-N 0 3 274.364 2.470 20 30 CEEDHN C=CCCC1(C(=O)N2CCO[C@H]3CCN(CC)C[C@H]32)CC1 ZINC000355335490 370554317 /nfs/dbraw/zinc/55/43/17/370554317.db2.gz CXMHBSJMYDRPBI-CABCVRRESA-N 0 3 292.423 2.054 20 30 CEEDHN CC#CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000355159753 370527821 /nfs/dbraw/zinc/52/78/21/370527821.db2.gz BSAFQXLDZNDXNP-NVXWUHKLSA-N 0 3 299.418 2.362 20 30 CEEDHN N#Cc1cccc(CN[C@@H]2CCO[C@H]2C2CC2)c1F ZINC000236277872 370586960 /nfs/dbraw/zinc/58/69/60/370586960.db2.gz HSTQMHOCWFJYQM-HIFRSBDPSA-N 0 3 260.312 2.354 20 30 CEEDHN C=CCCC1(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)CC1 ZINC000356144102 370623828 /nfs/dbraw/zinc/62/38/28/370623828.db2.gz DEMZYWYTESGQFH-KBPBESRZSA-N 0 3 262.397 2.428 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H](OC)[C@@H](C)CC)CC1 ZINC000355660627 370610652 /nfs/dbraw/zinc/61/06/52/370610652.db2.gz NWRJNNWRRLNFFL-ZFWWWQNUSA-N 0 3 282.428 2.204 20 30 CEEDHN CC(C#N)C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000358304935 371003607 /nfs/dbraw/zinc/00/36/07/371003607.db2.gz DNGNQJYPHBQNOC-NSHDSACASA-N 0 3 268.320 2.195 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@@H]1CCCN1CCC ZINC000358315605 371010795 /nfs/dbraw/zinc/01/07/95/371010795.db2.gz QIRXQQBVSAXHMY-AWEZNQCLSA-N 0 3 265.401 2.244 20 30 CEEDHN C=CCCCN(C)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246829283 371016713 /nfs/dbraw/zinc/01/67/13/371016713.db2.gz TXDXYAADHQQBPO-HUUCEWRRSA-N 0 3 280.412 2.054 20 30 CEEDHN C[C@@H]1CCCCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000358377733 371039684 /nfs/dbraw/zinc/03/96/84/371039684.db2.gz BHRIEKACFHVJTJ-CQSZACIVSA-N 0 3 285.391 2.439 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCCCC[C@@H]1C ZINC000358381719 371040207 /nfs/dbraw/zinc/04/02/07/371040207.db2.gz HMYRBJNXMOPKBS-ZDUSSCGKSA-N 0 3 251.374 2.013 20 30 CEEDHN C=C(CC)CN1CCCN(c2nccc(OCC)n2)CC1 ZINC000358504415 371094463 /nfs/dbraw/zinc/09/44/63/371094463.db2.gz GHCLRLXBUBIRTA-UHFFFAOYSA-N 0 3 290.411 2.354 20 30 CEEDHN COCCOC[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358581561 371126072 /nfs/dbraw/zinc/12/60/72/371126072.db2.gz YSLSPHNVVHFOQA-NEPJUHHUSA-N 0 3 280.343 2.399 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccoc2)CC1 ZINC000358824278 371236919 /nfs/dbraw/zinc/23/69/19/371236919.db2.gz DFWXXYJNCNMDCN-UHFFFAOYSA-N 0 3 277.368 2.071 20 30 CEEDHN C[C@H](CC#N)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000359708979 371480430 /nfs/dbraw/zinc/48/04/30/371480430.db2.gz ANJFNWYZIKZAHE-GFCCVEGCSA-N 0 3 290.367 2.051 20 30 CEEDHN C=CCOCCCC(=O)N1CCCN(CC(C)C)CC1 ZINC000360403415 371514338 /nfs/dbraw/zinc/51/43/38/371514338.db2.gz XKJOJEVQMPTQRR-UHFFFAOYSA-N 0 3 282.428 2.160 20 30 CEEDHN CC#CCCNCc1ccccc1N1CCOCC1 ZINC000360968495 371571136 /nfs/dbraw/zinc/57/11/36/371571136.db2.gz KNFFGSIFAAPABU-UHFFFAOYSA-N 0 3 258.365 2.026 20 30 CEEDHN CC#CCN1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639793575 371573572 /nfs/dbraw/zinc/57/35/72/371573572.db2.gz VLCIWXCZUSNIOG-AWEZNQCLSA-N 0 3 251.333 2.442 20 30 CEEDHN C[C@@H](O)CN(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000361010319 371597171 /nfs/dbraw/zinc/59/71/71/371597171.db2.gz PAHLURAHGGUMAE-SECBINFHSA-N 0 3 272.270 2.390 20 30 CEEDHN CCN(Cc1ccc(OC)c(C#N)c1)C[C@@H](C)OC ZINC000361015291 371599911 /nfs/dbraw/zinc/59/99/11/371599911.db2.gz ATBVWLLXCOPKJT-GFCCVEGCSA-N 0 3 262.353 2.424 20 30 CEEDHN C=CCCCCN1CCc2nc(COC)ncc2C1 ZINC000639914440 371664988 /nfs/dbraw/zinc/66/49/88/371664988.db2.gz LRRUELHQRVMYLF-UHFFFAOYSA-N 0 3 261.369 2.337 20 30 CEEDHN CN(C)Cc1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1 ZINC000337379815 214039762 /nfs/dbraw/zinc/03/97/62/214039762.db2.gz INYSVAVOMPNKDK-UHFFFAOYSA-N 0 3 268.320 2.200 20 30 CEEDHN C[C@](C#N)(NC(=O)CN(CC1CC1)C1CCC1)C1CC1 ZINC000361579203 371944708 /nfs/dbraw/zinc/94/47/08/371944708.db2.gz BSLRTPWWHXJLFD-MRXNPFEDSA-N 0 3 275.396 2.059 20 30 CEEDHN C=CCC[C@H](O)CN(C)Cc1ccc2c(c1)OCO2 ZINC000268527720 372127472 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217304349 /nfs/dbraw/zinc/30/43/49/217304349.db2.gz HSUIVBGMLUITBA-JTQLQIEISA-N 0 3 272.327 2.450 20 30 CEEDHN CN(C)CCOC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000353528105 220139437 /nfs/dbraw/zinc/13/94/37/220139437.db2.gz NASDVSDCEHCWLG-UHFFFAOYSA-N 0 3 293.436 2.162 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC3(C2)CCCCC3)C1=O ZINC000366893807 373128586 /nfs/dbraw/zinc/12/85/86/373128586.db2.gz HOLQDAJGEMDTKE-CQSZACIVSA-N 0 3 262.397 2.430 20 30 CEEDHN CS[C@@H]1CN(c2ccc(C#N)cc2)C[C@@H]1N(C)C ZINC000271135483 373137001 /nfs/dbraw/zinc/13/70/01/373137001.db2.gz WNEIYLWOGBKNDI-UONOGXRCSA-N 0 3 261.394 2.040 20 30 CEEDHN CC(C)C(=O)NCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271927208 373218967 /nfs/dbraw/zinc/21/89/67/373218967.db2.gz JMWDVELSBZZIMP-NSHDSACASA-N 0 3 277.343 2.120 20 30 CEEDHN C=CCCCCCN(C)C(=O)[C@H]1CNCCC1(F)F ZINC000644008034 373336768 /nfs/dbraw/zinc/33/67/68/373336768.db2.gz HWFFJZWOFGZFQO-GFCCVEGCSA-N 0 3 274.355 2.436 20 30 CEEDHN N#Cc1ccc(CNC2(CO)Cc3ccccc3C2)c(F)c1 ZINC000369330194 373389323 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375021353 /nfs/dbraw/zinc/02/13/53/375021353.db2.gz KXYVSKLHHXZCBH-GFCCVEGCSA-N 0 3 285.326 2.195 20 30 CEEDHN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc(C#N)cc1F ZINC000386282345 375256234 /nfs/dbraw/zinc/25/62/34/375256234.db2.gz OGOIVCGERHLTCG-UKRRQHHQSA-N 0 3 262.328 2.290 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(COC)o1 ZINC000280765461 375313380 /nfs/dbraw/zinc/31/33/80/375313380.db2.gz ZAEPPKBYRXRQMZ-SWLSCSKDSA-N 0 3 265.353 2.497 20 30 CEEDHN N#Cc1csc(CN2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000334259924 206271787 /nfs/dbraw/zinc/27/17/87/206271787.db2.gz VEYDLLCDCUJUJZ-STQMWFEESA-N 0 3 262.378 2.478 20 30 CEEDHN CN(C)C1(CNc2cc(C#N)c3ccccc3n2)CC1 ZINC000397981726 375344195 /nfs/dbraw/zinc/34/41/95/375344195.db2.gz LBAASFBXUXDZAP-UHFFFAOYSA-N 0 3 266.348 2.034 20 30 CEEDHN CC(C)C(=O)NC[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000408381305 375466021 /nfs/dbraw/zinc/46/60/21/375466021.db2.gz JIZFGFYWAXCMDZ-QLFBSQMISA-N 0 3 277.412 2.163 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000684622381 542047433 /nfs/dbraw/zinc/04/74/33/542047433.db2.gz RLLIZPOZAJJPAE-KRWDZBQOSA-N 0 3 289.419 2.301 20 30 CEEDHN C=CCN(C(=O)NC[C@H](N)c1ccccc1)C1CC1 ZINC000418431135 376314868 /nfs/dbraw/zinc/31/48/68/376314868.db2.gz QDENQYJKPLOMST-AWEZNQCLSA-N 0 3 259.353 2.046 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H](N)c1ccccc1 ZINC000418437525 376314911 /nfs/dbraw/zinc/31/49/11/376314911.db2.gz YDUJHCVBJDZMCS-CABCVRRESA-N 0 3 273.380 2.437 20 30 CEEDHN CN(C)CCN(Cc1cccn1C)Cc1ccc(C#N)cc1 ZINC000289747598 376477962 /nfs/dbraw/zinc/47/79/62/376477962.db2.gz IYWHJNWETQYHBF-UHFFFAOYSA-N 0 3 296.418 2.461 20 30 CEEDHN C=CCCCCCN1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000419339699 376445439 /nfs/dbraw/zinc/44/54/39/376445439.db2.gz MLYFCSWHFQVRQY-LSDHHAIUSA-N 0 3 254.418 2.120 20 30 CEEDHN C=CCCCCCN1C[C@H](C)N(CCO)C[C@H]1C ZINC000419339694 376446460 /nfs/dbraw/zinc/44/64/60/376446460.db2.gz MLYFCSWHFQVRQY-CABCVRRESA-N 0 3 254.418 2.120 20 30 CEEDHN N#Cc1nccnc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000263732562 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/nfs/dbraw/zinc/65/12/74/376651274.db2.gz SAPIDMZKDRABKB-AWEZNQCLSA-N 0 3 250.317 2.194 20 30 CEEDHN CCC1CC(N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000560237850 376725533 /nfs/dbraw/zinc/72/55/33/376725533.db2.gz XMCIYDIFLFLJLX-IMRCBTMISA-N 0 3 297.402 2.437 20 30 CEEDHN COCC[C@H](COC)N[C@H](C)c1ccc(C#N)cc1 ZINC000311663767 376682356 /nfs/dbraw/zinc/68/23/56/376682356.db2.gz OHMXKNQLSXNYLQ-IUODEOHRSA-N 0 3 262.353 2.260 20 30 CEEDHN CC[C@@H]1CN(C)CCN1CCCOc1cccc(C#N)c1 ZINC000559637255 376685569 /nfs/dbraw/zinc/68/55/69/376685569.db2.gz TWCZOEBSZXBHTP-MRXNPFEDSA-N 0 3 287.407 2.353 20 30 CEEDHN N#Cc1ccc(OCCN2CCC[C@@]23CCOC3)cc1 ZINC000313011239 376734480 /nfs/dbraw/zinc/73/44/80/376734480.db2.gz OGEICGPUMNNINR-INIZCTEOSA-N 0 3 272.348 2.192 20 30 CEEDHN C[C@H](CNc1cccnc1C#N)N1CCC[C@H](C)C1 ZINC000290446200 376781727 /nfs/dbraw/zinc/78/17/27/376781727.db2.gz COOITDOEDBXBIW-QWHCGFSZSA-N 0 3 258.369 2.486 20 30 CEEDHN C=CCOc1ccccc1CN(C)C[C@@H](O)C1CC1 ZINC000685461812 542143099 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377236050 /nfs/dbraw/zinc/23/60/50/377236050.db2.gz MCHKIHCBIBTMCO-GJZGRUSLSA-N 0 3 262.328 2.338 20 30 CEEDHN C#CCN(C)CCCNc1nc(Cl)c(C#N)s1 ZINC000292702366 377264813 /nfs/dbraw/zinc/26/48/13/377264813.db2.gz GEPDRQKANBIMPG-UHFFFAOYSA-N 0 3 268.773 2.035 20 30 CEEDHN C#CCCOc1ccc(CNCCn2ccnc2C)cc1 ZINC000264930235 190145523 /nfs/dbraw/zinc/14/55/23/190145523.db2.gz AKZCAQAITCYWTN-UHFFFAOYSA-N 0 3 283.375 2.383 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000426211033 377395519 /nfs/dbraw/zinc/39/55/19/377395519.db2.gz QXRDNHBAQBJMPP-MGPQQGTHSA-N 0 3 265.401 2.219 20 30 CEEDHN C[C@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)N1CCC[C@@H](C)C1 ZINC000425449895 377351008 /nfs/dbraw/zinc/35/10/08/377351008.db2.gz XHZJVTWINUHWLH-APIJFGDWSA-N 0 3 292.427 2.098 20 30 CEEDHN C=CCOc1cccc(CN(CCOC)[C@@H]2CCOC2)c1 ZINC000426529461 377414216 /nfs/dbraw/zinc/41/42/16/377414216.db2.gz KOGWMZNDGUXTPE-MRXNPFEDSA-N 0 3 291.391 2.489 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCC(Oc2ccncc2C)CC1 ZINC000685579654 542162718 /nfs/dbraw/zinc/16/27/18/542162718.db2.gz BJGMWXUDEHBYOS-OAHLLOKOSA-N 0 3 276.380 2.170 20 30 CEEDHN C=CCC1(C(=O)NCCN2CC[C@@H](C)C2)CCC1 ZINC000564788156 377455760 /nfs/dbraw/zinc/45/57/60/377455760.db2.gz IZFAQZQKKXVDHT-CYBMUJFWSA-N 0 3 250.386 2.191 20 30 CEEDHN CC[C@@H](CNC(=O)C(C#N)CCc1ccccc1)OC ZINC000427920213 377468138 /nfs/dbraw/zinc/46/81/38/377468138.db2.gz ASRJWYNTGGDKKK-CABCVRRESA-N 0 3 274.364 2.300 20 30 CEEDHN CCc1cccc2c1N(C(=O)[C@H](N)CCCC#N)CC2 ZINC000564831437 377469180 /nfs/dbraw/zinc/46/91/80/377469180.db2.gz PYDLJBUMIMOQBM-CQSZACIVSA-N 0 3 271.364 2.159 20 30 CEEDHN CN(C)[C@@H](CNC(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000427980730 377477305 /nfs/dbraw/zinc/47/73/05/377477305.db2.gz CGOPKPHIMCOTFK-AWEZNQCLSA-N 0 3 283.331 2.184 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1cccc(OC)n1 ZINC000429719957 377519180 /nfs/dbraw/zinc/51/91/80/377519180.db2.gz LLZLQWSINWNXOI-UHFFFAOYSA-N 0 3 263.385 2.030 20 30 CEEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCC1(CC#N)CC1 ZINC000430422611 377530891 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/nfs/dbraw/zinc/21/77/15/190217715.db2.gz OMIXVEDLKQVJPV-UHFFFAOYSA-N 0 3 272.392 2.168 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000438181298 377891964 /nfs/dbraw/zinc/89/19/64/377891964.db2.gz UXUVXUNHRQYPIQ-JSGCOSHPSA-N 0 3 274.364 2.065 20 30 CEEDHN CN1CCC[C@]2(CCN(C(=O)c3cc(C#N)cs3)C2)C1 ZINC000294141694 377918114 /nfs/dbraw/zinc/91/81/14/377918114.db2.gz MUVMRXASYZEQDD-HNNXBMFYSA-N 0 3 289.404 2.178 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000439623349 377928106 /nfs/dbraw/zinc/92/81/06/377928106.db2.gz GTOOQJZDRFSWJB-BFHYXJOUSA-N 0 3 282.428 2.203 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCc2ccccc2CN2CCOCC2)C1 ZINC000442655515 377976811 /nfs/dbraw/zinc/97/68/11/377976811.db2.gz SUVOZKMCUNCXRV-CRAIPNDOSA-N 0 3 299.418 2.301 20 30 CEEDHN Cc1cc(C)c(C#N)c(N(C)C[C@@H]2CCCN(C)C2)n1 ZINC000265971532 190219387 /nfs/dbraw/zinc/21/93/87/190219387.db2.gz KXLWYDXQINFOOM-CQSZACIVSA-N 0 3 272.396 2.348 20 30 CEEDHN C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)c(C#N)n2)CCN1C 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378311730 /nfs/dbraw/zinc/31/17/30/378311730.db2.gz WLHRHXQMKKSNEO-CQSZACIVSA-N 0 3 251.757 2.394 20 30 CEEDHN CCC1(CC)CN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000295894495 378345107 /nfs/dbraw/zinc/34/51/07/378345107.db2.gz GJGRCBMETAEZHM-HNNXBMFYSA-N 0 3 288.391 2.420 20 30 CEEDHN CO[C@@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1(C)C ZINC000296202196 378451477 /nfs/dbraw/zinc/45/14/77/378451477.db2.gz WCHOMJDXLJXUNI-JKSUJKDBSA-N 0 3 288.391 2.339 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1ccc(C)cc1 ZINC000296155543 378435261 /nfs/dbraw/zinc/43/52/61/378435261.db2.gz DUNLDXAJNKJBRR-OAHLLOKOSA-N 0 3 287.407 2.310 20 30 CEEDHN C=CCN(Cc1ccccc1F)C(=O)[C@@H](N)C(C)C ZINC000297336373 378682341 /nfs/dbraw/zinc/68/23/41/378682341.db2.gz IGVHKXSAWNZCSJ-AWEZNQCLSA-N 0 3 264.344 2.324 20 30 CEEDHN CC[C@H](CNc1nnc(C)c(C)c1C#N)N1CCCC1 ZINC000298486029 378741829 /nfs/dbraw/zinc/74/18/29/378741829.db2.gz WGFDQFABDSYWQX-CYBMUJFWSA-N 0 3 273.384 2.251 20 30 CEEDHN C[C@H](N[C@H]1CSC[C@@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000507209670 379099655 /nfs/dbraw/zinc/09/96/55/379099655.db2.gz IXHVQCAOHDBNKX-MJVIPROJSA-N 0 3 289.404 2.226 20 30 CEEDHN N#Cc1ccc(N2CCN(CCc3ccccc3)CC2)cn1 ZINC000301515431 379284634 /nfs/dbraw/zinc/28/46/34/379284634.db2.gz GGJZIZJFWVDNHI-UHFFFAOYSA-N 0 3 292.386 2.318 20 30 CEEDHN C#CCOc1ccc(CNCc2cccn2C)cc1 ZINC000266559508 190267064 /nfs/dbraw/zinc/26/70/64/190267064.db2.gz JKNSRSKKNNORGB-UHFFFAOYSA-N 0 3 254.333 2.327 20 30 CEEDHN C#CCN(CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000266884149 190287447 /nfs/dbraw/zinc/28/74/47/190287447.db2.gz AZTCJSVKVNZVBV-UHFFFAOYSA-N 0 3 289.335 2.187 20 30 CEEDHN CCN1C[C@@H](C)N(CCOc2ccccc2C#N)[C@H](C)C1 ZINC000347709190 218329767 /nfs/dbraw/zinc/32/97/67/218329767.db2.gz SZAJHGMQXIXDTO-HUUCEWRRSA-N 0 3 287.407 2.352 20 30 CEEDHN N#CC1(C[C@@H](O)CN2CC[C@@H](Nc3ccccc3)C2)CC1 ZINC000528413459 379964090 /nfs/dbraw/zinc/96/40/90/379964090.db2.gz CFDXYIPLSCQVFH-HZPDHXFCSA-N 0 3 285.391 2.228 20 30 CEEDHN CC(C)(C#N)CCN1CCC(C)(N2CCOCC2)CC1 ZINC000528726670 380067220 /nfs/dbraw/zinc/06/72/20/380067220.db2.gz KEOSAZYHJNCLLU-UHFFFAOYSA-N 0 3 279.428 2.113 20 30 CEEDHN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1CCCSCC#N ZINC000472326794 380074204 /nfs/dbraw/zinc/07/42/04/380074204.db2.gz KWLISBVSNDXZBW-CABCVRRESA-N 0 3 297.468 2.355 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1cccc(C#N)c1 ZINC000268129892 190379660 /nfs/dbraw/zinc/37/96/60/190379660.db2.gz PFPKWJSHOKOGDR-ABAIWWIYSA-N 0 3 284.363 2.162 20 30 CEEDHN N#Cc1ccc(F)cc1CN1CCN(C2CCC2)CC1 ZINC000268270750 190391721 /nfs/dbraw/zinc/39/17/21/190391721.db2.gz CGCGQKBJCQHHSD-UHFFFAOYSA-N 0 3 273.355 2.367 20 30 CEEDHN CC(C#N)C(=O)N1CCC(N2CCc3ccccc32)CC1 ZINC000334174265 380248591 /nfs/dbraw/zinc/24/85/91/380248591.db2.gz BZLOJRJVTNXJNE-CYBMUJFWSA-N 0 3 283.375 2.200 20 30 CEEDHN CC[C@H](C(=O)Nc1cc(CC#N)ccn1)N(CC)CC ZINC000532179739 380211599 /nfs/dbraw/zinc/21/15/99/380211599.db2.gz FUYIIWGDBYPKRK-CYBMUJFWSA-N 0 3 274.368 2.207 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)N1CCC(CC#N)CC1 ZINC000542853036 380319523 /nfs/dbraw/zinc/31/95/23/380319523.db2.gz FEBBNWFGPRYTRF-CQSZACIVSA-N 0 3 292.427 2.196 20 30 CEEDHN CN(C(=O)CNC1(C2CC2)CC1)C1(C#N)CCCCC1 ZINC000541596388 380275659 /nfs/dbraw/zinc/27/56/59/380275659.db2.gz WGEMSBWTKDBDRE-UHFFFAOYSA-N 0 3 275.396 2.203 20 30 CEEDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1cccc(C#N)c1 ZINC000334351510 380285728 /nfs/dbraw/zinc/28/57/28/380285728.db2.gz GOZKLYJZRCJQMI-GFCCVEGCSA-N 0 3 272.352 2.116 20 30 CEEDHN N#Cc1ccc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000334458297 380440403 /nfs/dbraw/zinc/44/04/03/380440403.db2.gz JTSYIFQGDISFQX-QGZVFWFLSA-N 0 3 297.402 2.393 20 30 CEEDHN C[C@H]1CCN(CCNC(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000491961887 380400203 /nfs/dbraw/zinc/40/02/03/380400203.db2.gz ZOCPZAYORMYVPE-UZYOAWRESA-N 0 3 283.375 2.029 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNc1ccncc1C#N ZINC000548480539 380524272 /nfs/dbraw/zinc/52/42/72/380524272.db2.gz WJTBDIAHEDWQDQ-BETUJISGSA-N 0 3 258.369 2.050 20 30 CEEDHN CCN1CCCN(Cc2cccc(F)c2C#N)CC1 ZINC000334539625 380558307 /nfs/dbraw/zinc/55/83/07/380558307.db2.gz XZZSFVYWRZHAOC-UHFFFAOYSA-N 0 3 261.344 2.225 20 30 CEEDHN C[C@H](NC(=O)CN1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000548829995 380568205 /nfs/dbraw/zinc/56/82/05/380568205.db2.gz OIZNIRYCVPOOHR-OLZOCXBDSA-N 0 3 271.364 2.077 20 30 CEEDHN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(C)C#N ZINC000493628376 381097887 /nfs/dbraw/zinc/09/78/87/381097887.db2.gz HGLGYMGZLONTJQ-NEPJUHHUSA-N 0 3 297.399 2.346 20 30 CEEDHN N#Cc1ccccc1CN1CCCC[C@@H]1C1(O)CC1 ZINC000334793086 207085747 /nfs/dbraw/zinc/08/57/47/207085747.db2.gz UIKPRAOFOORVSF-OAHLLOKOSA-N 0 3 256.349 2.438 20 30 CEEDHN C[C@]1(CO)CCC[C@@H]1NCC#Cc1ccc(F)cc1 ZINC000493710018 381141987 /nfs/dbraw/zinc/14/19/87/381141987.db2.gz RRCASGPGLSHPFE-JKSUJKDBSA-N 0 3 261.340 2.318 20 30 CEEDHN C=CCN1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000493879780 381151073 /nfs/dbraw/zinc/15/10/73/381151073.db2.gz BWJPWMVIFUASFK-UHFFFAOYSA-N 0 3 254.374 2.409 20 30 CEEDHN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1cn[nH]c1 ZINC000494661324 381162407 /nfs/dbraw/zinc/16/24/07/381162407.db2.gz LSXIANYORMUIBA-SECBINFHSA-N 0 3 289.364 2.022 20 30 CEEDHN C=CCC[C@H](O)CN1CCCC[C@H]1COC(=O)N(C)CC ZINC000495643416 381178580 /nfs/dbraw/zinc/17/85/80/381178580.db2.gz ZSUGVBBXUQWONW-GJZGRUSLSA-N 0 3 298.427 2.256 20 30 CEEDHN C=CCC[C@@H](O)CN1CCCC[C@@H]1COC(=O)N(C)CC ZINC000495643418 381179344 /nfs/dbraw/zinc/17/93/44/381179344.db2.gz ZSUGVBBXUQWONW-HUUCEWRRSA-N 0 3 298.427 2.256 20 30 CEEDHN C[C@H](CCC#N)N(C)CCN(C)C(=O)OC(C)(C)C ZINC000496280433 381206619 /nfs/dbraw/zinc/20/66/19/381206619.db2.gz CGKNOYBFAZYLAG-GFCCVEGCSA-N 0 3 269.389 2.477 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496641819 381221171 /nfs/dbraw/zinc/22/11/71/381221171.db2.gz GCVPPMPHESPXMX-ZDUSSCGKSA-N 0 3 266.385 2.246 20 30 CEEDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NCCC#N)C1 ZINC000497007593 381236951 /nfs/dbraw/zinc/23/69/51/381236951.db2.gz JMHNLIIJCKSQNM-NEPJUHHUSA-N 0 3 267.373 2.183 20 30 CEEDHN C#CCCCC(=O)NCc1ccccc1OCCN(C)C ZINC000191995185 533017944 /nfs/dbraw/zinc/01/79/44/533017944.db2.gz FAZPQGUEQMYBAZ-UHFFFAOYSA-N 0 3 288.391 2.047 20 30 CEEDHN COC1([C@H](C)NCC(=O)Nc2ccc(C#N)cc2)CCC1 ZINC000412030244 533026494 /nfs/dbraw/zinc/02/64/94/533026494.db2.gz ZJUUCIBHKOTIDB-LBPRGKRZSA-N 0 3 287.363 2.044 20 30 CEEDHN N#Cc1cscc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000335316175 208173211 /nfs/dbraw/zinc/17/32/11/208173211.db2.gz FYCWZXKBFDPFSX-ZDUSSCGKSA-N 0 3 289.404 2.320 20 30 CEEDHN COc1cc(C#N)ccc1CN1CC[C@H](CO)C[C@@H]1C ZINC000289110876 197237061 /nfs/dbraw/zinc/23/70/61/197237061.db2.gz WFFICUAMQIJMFW-JSGCOSHPSA-N 0 3 274.364 2.160 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000347232840 533115660 /nfs/dbraw/zinc/11/56/60/533115660.db2.gz ORPJIBCTZPXDEG-RYUDHWBXSA-N 0 3 268.320 2.209 20 30 CEEDHN COc1cc(CNC[C@@H](O)c2ccc(C)o2)ccc1C#N ZINC000281462978 195249313 /nfs/dbraw/zinc/24/93/13/195249313.db2.gz BBJPBSSGRAIHTR-CQSZACIVSA-N 0 3 286.331 2.292 20 30 CEEDHN COc1ccc(C(=O)N[C@H]2CCN(C3CCCC3)C2)cn1 ZINC000329137336 533223539 /nfs/dbraw/zinc/22/35/39/533223539.db2.gz DFGKXBLCYIRRSC-ZDUSSCGKSA-N 0 3 289.379 2.412 20 30 CEEDHN C=CCSCCNC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000171174116 335058066 /nfs/dbraw/zinc/05/80/66/335058066.db2.gz NWPGVADDGLWGBP-UONOGXRCSA-N 0 3 299.484 2.325 20 30 CEEDHN CC[C@@H](N[C@H]1CCN(C(C)=O)C1)c1ccc(C#N)cc1 ZINC000447583461 260065262 /nfs/dbraw/zinc/06/52/62/260065262.db2.gz BMVSPCBMEMYJTD-JKSUJKDBSA-N 0 3 271.364 2.220 20 30 CEEDHN CC[C@H]1CN(CCOc2cccc(C#N)c2)CCCO1 ZINC000281538363 195279827 /nfs/dbraw/zinc/27/98/27/195279827.db2.gz WPFIJTCBBUTAMV-HNNXBMFYSA-N 0 3 274.364 2.438 20 30 CEEDHN C[C@@H](N[C@@H](C)c1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000345037230 533506630 /nfs/dbraw/zinc/50/66/30/533506630.db2.gz QGZLKTOALGNCSH-QWHCGFSZSA-N 0 3 271.364 2.288 20 30 CEEDHN C[C@@H](NCc1cc(C#N)n(C)c1)[C@H](O)c1ccc(F)cc1 ZINC000191088676 130182914 /nfs/dbraw/zinc/18/29/14/130182914.db2.gz TWQKMESMNZCJDV-BZNIZROVSA-N 0 3 287.338 2.248 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cccc3[nH]ccc32)CC1 ZINC000263786827 131331010 /nfs/dbraw/zinc/33/10/10/131331010.db2.gz WSWYMFNBCMBADN-UHFFFAOYSA-N 0 3 281.359 2.452 20 30 CEEDHN CN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CCCCC1 ZINC000007016172 394460480 /nfs/dbraw/zinc/46/04/80/394460480.db2.gz LBYYRIQTXJMPDH-HNNXBMFYSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@H](N)[C@@H](C)CC ZINC000237083044 394490752 /nfs/dbraw/zinc/49/07/52/394490752.db2.gz RIAQRVDSGSIZHF-SWLSCSKDSA-N 0 3 276.380 2.241 20 30 CEEDHN CCN1CC[C@H](N(C)c2ncc(C#N)cc2F)C[C@@H]1C ZINC000413152917 394493312 /nfs/dbraw/zinc/49/33/12/394493312.db2.gz JHYJTJXYERABNG-AAEUAGOBSA-N 0 3 276.359 2.401 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccccn3)C2)cc1F ZINC000421344214 394504077 /nfs/dbraw/zinc/50/40/77/394504077.db2.gz SGAOZUOHTQXWRA-OAHLLOKOSA-N 0 3 296.349 2.461 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)C1(C#N)CCCCC1 ZINC000044385480 394506001 /nfs/dbraw/zinc/50/60/01/394506001.db2.gz MWDYTXKUZNDJNC-CYBMUJFWSA-N 0 3 263.385 2.061 20 30 CEEDHN COCc1ncsc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000328919544 394557403 /nfs/dbraw/zinc/55/74/03/394557403.db2.gz SOASHJCBZGFDRR-JTQLQIEISA-N 0 3 295.408 2.245 20 30 CEEDHN [O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+][C@@H]1C=CCCC1 ZINC000329923757 394595059 /nfs/dbraw/zinc/59/50/59/394595059.db2.gz UPHZYVQWMWPPDN-QWHCGFSZSA-N 0 3 274.368 2.058 20 30 CEEDHN O=C(NCCN1CCCCCC1)c1cnc2nccnc2c1 ZINC000329510064 394568942 /nfs/dbraw/zinc/56/89/42/394568942.db2.gz JXTNAZLSNYOHCF-UHFFFAOYSA-N 0 3 299.378 2.205 20 30 CEEDHN C[C@H](NC(=O)N[C@H]1CCc2[nH]cnc2C1)C1CCCC1 ZINC000329547610 394571653 /nfs/dbraw/zinc/57/16/53/394571653.db2.gz HMWHILZTJHQCHF-JQWIXIFHSA-N 0 3 276.384 2.349 20 30 CEEDHN O=C(CSc1ncc[nH]1)NC1CCN(C2CC2)CC1 ZINC000329595350 394575644 /nfs/dbraw/zinc/57/56/44/394575644.db2.gz BTLHLPONHKKHNQ-UHFFFAOYSA-N 0 3 280.397 2.085 20 30 CEEDHN CCc1nc(CCNC(=O)CN2[C@H](C)CC[C@H]2C)no1 ZINC000329910878 394593958 /nfs/dbraw/zinc/59/39/58/394593958.db2.gz WCZOEINORAYLFG-GHMZBOCLSA-N 0 3 280.372 2.004 20 30 CEEDHN Cc1csc(NC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)n1 ZINC000329815623 394587059 /nfs/dbraw/zinc/58/70/59/394587059.db2.gz VJEDHGWIGCYVGP-GZMMTYOYSA-N 0 3 280.397 2.260 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000329837727 394589622 /nfs/dbraw/zinc/58/96/22/394589622.db2.gz ILTBOVKQFILNKW-GXTWGEPZSA-N 0 3 276.384 2.098 20 30 CEEDHN CCN(CCC(=O)N(C)CCC#N)Cc1cccs1 ZINC000048970450 394539680 /nfs/dbraw/zinc/53/96/80/394539680.db2.gz QUWLOCDBTZFRNX-UHFFFAOYSA-N 0 3 279.409 2.332 20 30 CEEDHN CCCN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000049480458 394548871 /nfs/dbraw/zinc/54/88/71/394548871.db2.gz BGXMUJBEHBRQCX-GFCCVEGCSA-N 0 3 251.374 2.059 20 30 CEEDHN Cc1ccc([C@@H](O)CNCc2ccc(C#N)cc2)o1 ZINC000265917791 394655765 /nfs/dbraw/zinc/65/57/65/394655765.db2.gz BQEMIAHCRYNJEO-AWEZNQCLSA-N 0 3 256.305 2.283 20 30 CEEDHN N#Cc1nc(N2CC[C@H](N3CC=CC3)C2)ccc1Cl ZINC000266245746 394662455 /nfs/dbraw/zinc/66/24/55/394662455.db2.gz MBXAGSMSPNHFES-NSHDSACASA-N 0 3 274.755 2.057 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)c1csc(=O)[nH]1 ZINC000329959327 394598383 /nfs/dbraw/zinc/59/83/83/394598383.db2.gz RCNYIZIELUFENO-SECBINFHSA-N 0 3 269.370 2.028 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)NCC1CCC(C#N)CC1 ZINC000330407129 394605489 /nfs/dbraw/zinc/60/54/89/394605489.db2.gz ITZSNCSMJGHJCF-NRXISQOPSA-N 0 3 277.412 2.307 20 30 CEEDHN CC[C@@H](C(=O)N[C@@H](CCC#N)c1ccccc1)N(C)C ZINC000413651267 394609985 /nfs/dbraw/zinc/60/99/85/394609985.db2.gz HOTZFSVJBFFWAC-GJZGRUSLSA-N 0 3 273.380 2.488 20 30 CEEDHN CCCCNC(=O)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000330449162 394611782 /nfs/dbraw/zinc/61/17/82/394611782.db2.gz ZHMROUHKUHOQDT-DZGCQCFKSA-N 0 3 277.412 2.307 20 30 CEEDHN CN1CCC[C@]2(CCN(C(=O)C3(C#N)CCCCC3)C2)C1 ZINC000334260277 394669921 /nfs/dbraw/zinc/66/99/21/394669921.db2.gz WAFIETSADITMTK-INIZCTEOSA-N 0 3 289.423 2.405 20 30 CEEDHN CCN(CCc1cccs1)[C@@H](C)C(=O)N(C)CCC#N ZINC000270780042 394740448 /nfs/dbraw/zinc/74/04/48/394740448.db2.gz OKNXOAAGAOANGY-ZDUSSCGKSA-N 0 3 293.436 2.373 20 30 CEEDHN CC#CCCNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000359138717 394741893 /nfs/dbraw/zinc/74/18/93/394741893.db2.gz BMDXUNANRURMJF-HNNXBMFYSA-N 0 3 287.407 2.220 20 30 CEEDHN CC(C#N)C(=O)N(Cc1cccc(O)c1)CC1CC1 ZINC000359125114 394742419 /nfs/dbraw/zinc/74/24/19/394742419.db2.gz MCEMCIYULWCHDI-NSHDSACASA-N 0 3 258.321 2.290 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000335143556 394743123 /nfs/dbraw/zinc/74/31/23/394743123.db2.gz XOWRSDMLNMDGES-AAEUAGOBSA-N 0 3 260.312 2.376 20 30 CEEDHN CC(C#N)C(=O)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000334323212 394675189 /nfs/dbraw/zinc/67/51/89/394675189.db2.gz JKXGSCXDEXWZRO-NSHDSACASA-N 0 3 298.321 2.056 20 30 CEEDHN C=CC[C@H](C)NC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000117038494 394758679 /nfs/dbraw/zinc/75/86/79/394758679.db2.gz LYFINUHZLGKHQN-MELADBBJSA-N 0 3 267.417 2.371 20 30 CEEDHN C[C@H](NC(=O)Nc1cccc(C#N)c1)C1=CCN(C)CC1 ZINC000272998549 394780176 /nfs/dbraw/zinc/78/01/76/394780176.db2.gz RRKNOQNVQXYJMQ-LBPRGKRZSA-N 0 3 284.363 2.330 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360872737 394809111 /nfs/dbraw/zinc/80/91/11/394809111.db2.gz NZNAQTZKINLUAV-MRXNPFEDSA-N 0 3 283.375 2.218 20 30 CEEDHN C=CCN(CCOC)CCc1nc2ccccc2n1C ZINC000361996195 394840824 /nfs/dbraw/zinc/84/08/24/394840824.db2.gz KOURGDZYTVSYFT-UHFFFAOYSA-N 0 3 273.380 2.250 20 30 CEEDHN C=CCC[C@@H](O)CN1CCC(c2nccc(C)n2)CC1 ZINC000363803772 394887249 /nfs/dbraw/zinc/88/72/49/394887249.db2.gz VFBGRSDMDYTECJ-OAHLLOKOSA-N 0 3 275.396 2.292 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccc(C#N)c2C)CC1 ZINC000338117071 394906212 /nfs/dbraw/zinc/90/62/12/394906212.db2.gz HIVISVJRSQVMFU-UHFFFAOYSA-N 0 3 283.375 2.247 20 30 CEEDHN C[C@H](CO)N1CCCN(c2ccc(Cl)cc2C#N)CC1 ZINC000364951254 394916416 /nfs/dbraw/zinc/91/64/16/394916416.db2.gz FPXSQJBPPGXZSP-GFCCVEGCSA-N 0 3 293.798 2.105 20 30 CEEDHN CCN(CC)C(=O)C1(NCCOCCC#N)CCCCC1 ZINC000339036363 394937270 /nfs/dbraw/zinc/93/72/70/394937270.db2.gz IQDIXUKKRUYCQM-UHFFFAOYSA-N 0 3 295.427 2.078 20 30 CEEDHN C=CCN(C)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000284253130 394941967 /nfs/dbraw/zinc/94/19/67/394941967.db2.gz WJXCKOWKGLGNIX-QGZVFWFLSA-N 0 3 274.408 2.395 20 30 CEEDHN C=CCOCCN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000339096780 394943246 /nfs/dbraw/zinc/94/32/46/394943246.db2.gz KFHZGBOKTRKJTE-UHFFFAOYSA-N 0 3 293.382 2.398 20 30 CEEDHN C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000339148364 394946679 /nfs/dbraw/zinc/94/66/79/394946679.db2.gz KAXAZEWLKJIVDG-IBEHDNSVSA-N 0 3 278.396 2.337 20 30 CEEDHN C=CCOCCN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000339200026 394950918 /nfs/dbraw/zinc/95/09/18/394950918.db2.gz GBEIJYDTGWSRDH-KBPBESRZSA-N 0 3 251.370 2.223 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000152930832 394998855 /nfs/dbraw/zinc/99/88/55/394998855.db2.gz NDXBLWXXWCHJNZ-ARFHVFGLSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCC[C@@H](NCC[C@@H](O)COC)c1ccco1 ZINC000286018000 395000803 /nfs/dbraw/zinc/00/08/03/395000803.db2.gz INOYSWRNZNLHQZ-CHWSQXEVSA-N 0 3 253.342 2.274 20 30 CEEDHN CC#CCNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000155658043 395029051 /nfs/dbraw/zinc/02/90/51/395029051.db2.gz IWIYVMXWBXKHIB-SFHVURJKSA-N 0 3 299.418 2.364 20 30 CEEDHN C[C@H]1CN(c2nccnc2C#N)CCN1CC1CCCC1 ZINC000155640059 395029059 /nfs/dbraw/zinc/02/90/59/395029059.db2.gz IYAWIABVFKFBIF-ZDUSSCGKSA-N 0 3 285.395 2.049 20 30 CEEDHN Cc1ccc(C#N)c(N2C[C@H](N3CCCC3)C[C@@H]2C)n1 ZINC000286276394 395018348 /nfs/dbraw/zinc/01/83/48/395018348.db2.gz HSIDKYIMTWQMFE-DZGCQCFKSA-N 0 3 270.380 2.325 20 30 CEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ncccc1C#N ZINC000286250297 395018737 /nfs/dbraw/zinc/01/87/37/395018737.db2.gz FYUJLTGEUMDADF-OCCSQVGLSA-N 0 3 256.353 2.016 20 30 CEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1cnccc1C#N ZINC000286288507 395018785 /nfs/dbraw/zinc/01/87/85/395018785.db2.gz IPLFEGYTIZDXNV-OCCSQVGLSA-N 0 3 256.353 2.016 20 30 CEEDHN CCN1CCN(CCCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000286569038 395025112 /nfs/dbraw/zinc/02/51/12/395025112.db2.gz PNQLPCPEMAFNRX-OAHLLOKOSA-N 0 3 287.407 2.353 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CCCC[C@H](SC)C1 ZINC000134602497 394958113 /nfs/dbraw/zinc/95/81/13/394958113.db2.gz JFKAETNGKRXMKQ-AWEZNQCLSA-N 0 3 282.453 2.405 20 30 CEEDHN CC#CCNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000135042282 394962477 /nfs/dbraw/zinc/96/24/77/394962477.db2.gz CFAXQZVRGQAYPI-AWEZNQCLSA-N 0 3 293.436 2.454 20 30 CEEDHN CC#CCCN1CCC(C(=O)NCc2ccccc2)CC1 ZINC000155054839 395025933 /nfs/dbraw/zinc/02/59/33/395025933.db2.gz FDARBGIJYQIBMH-UHFFFAOYSA-N 0 3 284.403 2.428 20 30 CEEDHN CC#CCN(C)CCCN(CC)CC(F)(F)F ZINC000339755048 394969809 /nfs/dbraw/zinc/96/98/09/394969809.db2.gz URFOMFZSWFOLDU-UHFFFAOYSA-N 0 3 250.308 2.216 20 30 CEEDHN CC#CCN(C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000339765713 394970645 /nfs/dbraw/zinc/97/06/45/394970645.db2.gz ISPPXUBHPJMCJJ-HNNXBMFYSA-N 0 3 270.376 2.104 20 30 CEEDHN C=CCOc1ccc(C(=O)NCC2(N(C)C)CC2)cc1 ZINC000416297849 395049329 /nfs/dbraw/zinc/04/93/29/395049329.db2.gz AZAYAYNECAFENR-UHFFFAOYSA-N 0 3 274.364 2.075 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2c(C#N)cccc2[N+](=O)[O-])CCN1C ZINC000425236588 395053052 /nfs/dbraw/zinc/05/30/52/395053052.db2.gz QKTJZJVKSMPMAE-PWSUYJOCSA-N 0 3 274.324 2.361 20 30 CEEDHN C=CCc1cc(CN[C@H]2CCCOC2)cc(OC)c1O ZINC000288344524 395058066 /nfs/dbraw/zinc/05/80/66/395058066.db2.gz BPRUHPWHOZGDAK-AWEZNQCLSA-N 0 3 277.364 2.398 20 30 CEEDHN C=CCCCCCN1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000373290595 395058591 /nfs/dbraw/zinc/05/85/91/395058591.db2.gz BCHXNXHSZCXTDA-INIZCTEOSA-N 0 3 294.439 2.446 20 30 CEEDHN Cn1nccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000159681550 395059404 /nfs/dbraw/zinc/05/94/04/395059404.db2.gz HAJMWNBIOFXZLD-SECBINFHSA-N 0 3 294.236 2.324 20 30 CEEDHN C=C(C)CN1CCC(Nc2nccn(C(F)F)c2=O)CC1 ZINC000288781191 395066154 /nfs/dbraw/zinc/06/61/54/395066154.db2.gz FFOILRKWCNMVAA-UHFFFAOYSA-N 0 3 298.337 2.091 20 30 CEEDHN Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)C(C)C#N)o1 ZINC000345517876 395069203 /nfs/dbraw/zinc/06/92/03/395069203.db2.gz AERQLJLONXWEHW-IINYFYTJSA-N 0 3 296.330 2.164 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)COc1ccc(F)cc1F ZINC000345765014 395076606 /nfs/dbraw/zinc/07/66/06/395076606.db2.gz ORNUUMCMCMBJMH-DTWKUNHWSA-N 0 3 268.263 2.008 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CCC2(Cc3ccccc3C2)C1 ZINC000374380847 395081900 /nfs/dbraw/zinc/08/19/00/395081900.db2.gz OTSFWFNOOMRZKR-CQSZACIVSA-N 0 3 284.403 2.168 20 30 CEEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000289716978 395084803 /nfs/dbraw/zinc/08/48/03/395084803.db2.gz JKAAVNVTJDIWIT-GXSJLCMTSA-N 0 3 257.280 2.486 20 30 CEEDHN C=C[C@H](CO)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000289936035 395091593 /nfs/dbraw/zinc/09/15/93/395091593.db2.gz VTZLDYBJMZUWDW-NWDGAFQWSA-N 0 3 265.353 2.210 20 30 CEEDHN C[C@H](CN(C)C)NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000346225318 395091767 /nfs/dbraw/zinc/09/17/67/395091767.db2.gz OECDTPOWUMLJRP-UKRRQHHQSA-N 0 3 273.380 2.140 20 30 CEEDHN C#C[C@H](NCc1cnc(N2CCOCC2)s1)C(C)(C)C ZINC000290207774 395096063 /nfs/dbraw/zinc/09/60/63/395096063.db2.gz QFQVPAQOKIMFHY-ZDUSSCGKSA-N 0 3 293.436 2.117 20 30 CEEDHN CN(CC(=O)NCC#N)C1CCC(C(C)(C)C)CC1 ZINC000343040379 395030617 /nfs/dbraw/zinc/03/06/17/395030617.db2.gz QEJQFHUSRODARD-UHFFFAOYSA-N 0 3 265.401 2.163 20 30 CEEDHN CC[C@@H](CC#N)NC(=O)CCN1CCc2ccccc2C1 ZINC000416201094 395031464 /nfs/dbraw/zinc/03/14/64/395031464.db2.gz DXMDRCGKSCGKFR-INIZCTEOSA-N 0 3 285.391 2.243 20 30 CEEDHN Cc1cc(N2CCN(C)[C@@H](C(C)C)C2)cc(C#N)n1 ZINC000343210622 395034205 /nfs/dbraw/zinc/03/42/05/395034205.db2.gz ZPHSNHFOMLNVNG-OAHLLOKOSA-N 0 3 258.369 2.038 20 30 CEEDHN Cc1c(Cl)cnc(N2CCN(C)CC[C@@H]2C)c1C#N ZINC000343507260 395040438 /nfs/dbraw/zinc/04/04/38/395040438.db2.gz HUSIDUJJOOLQJJ-JTQLQIEISA-N 0 3 278.787 2.446 20 30 CEEDHN C[C@H](C#N)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000346928290 395113848 /nfs/dbraw/zinc/11/38/48/395113848.db2.gz VLSFGFKZPOXOKS-SNVBAGLBSA-N 0 3 295.770 2.379 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(C2CCOCC2)CC1 ZINC000175479885 395132128 /nfs/dbraw/zinc/13/21/28/395132128.db2.gz DWLWJSMHSWMYOB-OAHLLOKOSA-N 0 3 299.418 2.416 20 30 CEEDHN C#CCC(C)(C)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000376407111 395119325 /nfs/dbraw/zinc/11/93/25/395119325.db2.gz KSPGCFWZZVZXKD-ZIAGYGMSSA-N 0 3 262.397 2.121 20 30 CEEDHN C#Cc1ccc(CNC[C@H](O)c2ccc(C)o2)cc1 ZINC000290494077 395105283 /nfs/dbraw/zinc/10/52/83/395105283.db2.gz WDBGTZJNTASZGE-HNNXBMFYSA-N 0 3 255.317 2.393 20 30 CEEDHN CC(C)N1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428472467 395149916 /nfs/dbraw/zinc/14/99/16/395149916.db2.gz AJMKJZWAHMZGEB-UHFFFAOYSA-N 0 3 261.344 2.223 20 30 CEEDHN CCn1cncc1CNCCc1cccc(C#N)c1 ZINC000418041632 395180745 /nfs/dbraw/zinc/18/07/45/395180745.db2.gz JZBWJRUIOPBCIR-UHFFFAOYSA-N 0 3 254.337 2.107 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@@H](C)[C@H](O)C1 ZINC000349365393 395167477 /nfs/dbraw/zinc/16/74/77/395167477.db2.gz HONZMVBLMKSHGR-UKRRQHHQSA-N 0 3 261.365 2.454 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000178504257 395168261 /nfs/dbraw/zinc/16/82/61/395168261.db2.gz ZOUPWVHMTJPRLC-RDJZCZTQSA-N 0 3 299.418 2.273 20 30 CEEDHN N#Cc1cc(NC2CCN(Cc3ccccc3)CC2)ncn1 ZINC000380961204 395171357 /nfs/dbraw/zinc/17/13/57/395171357.db2.gz ATRISNPYGZRQLN-UHFFFAOYSA-N 0 3 293.374 2.425 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@H]3CCCSC3)n2c1 ZINC000515418294 395175673 /nfs/dbraw/zinc/17/56/73/395175673.db2.gz PCAOALWNQRDKQK-LBPRGKRZSA-N 0 3 272.377 2.191 20 30 CEEDHN CO[C@H](C)CN1CCCN(c2ccccc2C#N)CC1 ZINC000182057264 395231067 /nfs/dbraw/zinc/23/10/67/395231067.db2.gz RIEDWAXJIOLGFU-CQSZACIVSA-N 0 3 273.380 2.105 20 30 CEEDHN C=C(C)CCN(C)CCN1C(=O)c2ccccc2C1=O ZINC000351752112 395232547 /nfs/dbraw/zinc/23/25/47/395232547.db2.gz MZWKIFQMZCSLNP-UHFFFAOYSA-N 0 3 272.348 2.181 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@@H]1O ZINC000351807079 395233608 /nfs/dbraw/zinc/23/36/08/395233608.db2.gz GSOQBSLMVATYJV-DOMZBBRYSA-N 0 3 258.365 2.300 20 30 CEEDHN C=C[C@@H](CO)NCc1cccc(-c2ccccn2)c1 ZINC000352447560 395254037 /nfs/dbraw/zinc/25/40/37/395254037.db2.gz MVPVUKRTEKJLKD-HNNXBMFYSA-N 0 3 254.333 2.385 20 30 CEEDHN CN1CC[C@H](NCC2(C#N)CC2)[C@@H]1c1ccccc1 ZINC000352114843 395244471 /nfs/dbraw/zinc/24/44/71/395244471.db2.gz DLGDAUDWCKWORP-GJZGRUSLSA-N 0 3 255.365 2.325 20 30 CEEDHN CC(C)[C@H](NCc1ccc(C#N)cn1)C1(CO)CCC1 ZINC000517038613 395187039 /nfs/dbraw/zinc/18/70/39/395187039.db2.gz IGXLRLNFHSIJFD-HNNXBMFYSA-N 0 3 273.380 2.230 20 30 CEEDHN Cc1cc(C)c(C#N)c(N2CC[C@]3(C2)CCCN(C)C3)n1 ZINC000292907689 395209421 /nfs/dbraw/zinc/20/94/21/395209421.db2.gz XDFBKQKENSARJG-QGZVFWFLSA-N 0 3 284.407 2.492 20 30 CEEDHN N#CC1(CCN2CCC[C@@H](OCCO)C2)CCCCC1 ZINC000411283708 395324737 /nfs/dbraw/zinc/32/47/37/395324737.db2.gz QQJYCHWBTVNAGR-OAHLLOKOSA-N 0 3 280.412 2.324 20 30 CEEDHN COc1cc(CN[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)ccc1C#N ZINC000527803672 395281872 /nfs/dbraw/zinc/28/18/72/395281872.db2.gz IAYGDWJXLWCCQU-YWDSYVAPSA-N 0 3 274.364 2.468 20 30 CEEDHN C=C[C@](C)(CC)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000352992876 395282256 /nfs/dbraw/zinc/28/22/56/395282256.db2.gz RZKHFFZWXVZTPI-KGLIPLIRSA-N 0 3 270.442 2.142 20 30 CEEDHN CC(C)[C@H]1CCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000353019028 395284180 /nfs/dbraw/zinc/28/41/80/395284180.db2.gz BCVWRPZCORDRCS-DOTOQJQBSA-N 0 3 288.391 2.223 20 30 CEEDHN C=CCOc1ccccc1CNC[C@H](CO)C1CC1 ZINC000353079515 395286511 /nfs/dbraw/zinc/28/65/11/395286511.db2.gz JMNKNFKBAOVKAV-OAHLLOKOSA-N 0 3 261.365 2.360 20 30 CEEDHN CC1=C[C@H](C)CN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528489136 395290761 /nfs/dbraw/zinc/29/07/61/395290761.db2.gz PLRZVGRIZBRZRS-XJKSGUPXSA-N 0 3 286.375 2.196 20 30 CEEDHN COCCOC[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353251158 395291630 /nfs/dbraw/zinc/29/16/30/395291630.db2.gz HNBPYBZXPPICCN-BLLLJJGKSA-N 0 3 274.364 2.187 20 30 CEEDHN C=CCC[C@H](NCCNc1cnccn1)c1ccco1 ZINC000353392623 395297042 /nfs/dbraw/zinc/29/70/42/395297042.db2.gz GRWXDKLUNPHIMN-ZDUSSCGKSA-N 0 3 272.352 2.201 20 30 CEEDHN COC(=O)Cc1cccc(C(=O)C(C#N)c2ccccn2)c1 ZINC000188676713 395318824 /nfs/dbraw/zinc/31/88/24/395318824.db2.gz HILOAPLHVKPOMD-CQSZACIVSA-N 0 3 294.310 2.287 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000352452565 395255000 /nfs/dbraw/zinc/25/50/00/395255000.db2.gz ALRFAHKWMWAMRJ-GDBMZVCRSA-N 0 3 282.428 2.015 20 30 CEEDHN C=C[C@@H](CO)NCc1cccc(OCCCC#N)c1 ZINC000352465087 395257518 /nfs/dbraw/zinc/25/75/18/395257518.db2.gz CSRDHTSMGFIVNU-AWEZNQCLSA-N 0 3 260.337 2.006 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCc1ccc(C)s1 ZINC000293998306 395261782 /nfs/dbraw/zinc/26/17/82/395261782.db2.gz OQTDZVPEYQPQDH-UHFFFAOYSA-N 0 3 278.421 2.060 20 30 CEEDHN C=C(C)CCN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352671547 395264128 /nfs/dbraw/zinc/26/41/28/395264128.db2.gz JHYPSEXFHOSKHK-MNOVXSKESA-N 0 3 251.292 2.445 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000355234730 395377766 /nfs/dbraw/zinc/37/77/66/395377766.db2.gz HYNRDVTZDQSJOS-HIFRSBDPSA-N 0 3 263.385 2.059 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN(CCOC)CC(C)C ZINC000355270339 395389996 /nfs/dbraw/zinc/38/99/96/395389996.db2.gz WOSXIWWXJXPQMM-UHFFFAOYSA-N 0 3 270.417 2.015 20 30 CEEDHN Cc1noc(C2(C)CCN([C@H](C)CCC#N)CC2)n1 ZINC000411509756 395330599 /nfs/dbraw/zinc/33/05/99/395330599.db2.gz VKUBGRWSNRSPGH-LLVKDONJSA-N 0 3 262.357 2.424 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1csc(C)n1 ZINC000411643120 395333772 /nfs/dbraw/zinc/33/37/72/395333772.db2.gz OOITVJLMSVTIBM-UHFFFAOYSA-N 0 3 253.415 2.391 20 30 CEEDHN C[C@@H](CCC#N)N1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000411696589 395336017 /nfs/dbraw/zinc/33/60/17/395336017.db2.gz QTRMWXDJRAENPU-KBPBESRZSA-N 0 3 289.379 2.414 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000411724109 395337195 /nfs/dbraw/zinc/33/71/95/395337195.db2.gz YGHLQURTRCKYBJ-MNOVXSKESA-N 0 3 264.291 2.458 20 30 CEEDHN OC[C@H](NCC#Cc1ccc(Cl)cc1)[C@H]1CCCOC1 ZINC000411996079 395345416 /nfs/dbraw/zinc/34/54/16/395345416.db2.gz RHMDQUAYLZEVLY-HOCLYGCPSA-N 0 3 293.794 2.069 20 30 CEEDHN Cc1cc(CNC[C@](C)(O)C(F)(F)F)ccc1C#N ZINC000444000054 395410684 /nfs/dbraw/zinc/41/06/84/395410684.db2.gz CGUKWEVIQOUSDN-LBPRGKRZSA-N 0 3 272.270 2.270 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N(CCC#N)CC1CC1 ZINC000355408276 395439675 /nfs/dbraw/zinc/43/96/75/395439675.db2.gz JVKRIZHCXIJZGC-CHWSQXEVSA-N 0 3 263.385 2.011 20 30 CEEDHN Cn1ccc2c1cccc2NC(=O)[C@@H](N)CCCC#N ZINC000567660699 395534848 /nfs/dbraw/zinc/53/48/48/395534848.db2.gz TYBKGWXOROCDFC-LBPRGKRZSA-N 0 3 270.336 2.138 20 30 CEEDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNCCC#N ZINC000567693498 395534902 /nfs/dbraw/zinc/53/49/02/395534902.db2.gz UUXBZFKFDPBEMM-IAGOWNOFSA-N 0 3 287.407 2.027 20 30 CEEDHN C[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)CC(C)(C)C1 ZINC000567888697 395539573 /nfs/dbraw/zinc/53/95/73/395539573.db2.gz OKKCZUJKXPTVRI-LBPRGKRZSA-N 0 3 283.379 2.469 20 30 CEEDHN N#C[C@@H]1CC[C@H](NCc2ccc(Cn3cncn3)cc2)C1 ZINC000573727854 395616450 /nfs/dbraw/zinc/61/64/50/395616450.db2.gz WKNKJBHDLSSAGX-CVEARBPZSA-N 0 3 281.363 2.108 20 30 CEEDHN Cc1cccc(CN(CCN(C)C)c2ccnc(C#N)n2)c1 ZINC000568107289 395548949 /nfs/dbraw/zinc/54/89/49/395548949.db2.gz IOFSRRGZVRDXSJ-UHFFFAOYSA-N 0 3 295.390 2.225 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(F)ccc1OC ZINC000449521546 395553124 /nfs/dbraw/zinc/55/31/24/395553124.db2.gz SDUULEQREBAVNG-OLZOCXBDSA-N 0 3 251.301 2.267 20 30 CEEDHN COC[C@H]1CCCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000449773892 395560681 /nfs/dbraw/zinc/56/06/81/395560681.db2.gz JGTKNUKRWICVKI-ZDUSSCGKSA-N 0 3 261.369 2.145 20 30 CEEDHN C[C@@H]1[C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])CCCN1C ZINC000450433220 395571712 /nfs/dbraw/zinc/57/17/12/395571712.db2.gz DLPSMODADGXQOZ-PWSUYJOCSA-N 0 3 274.324 2.361 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H]1CCCC[C@@H]1C ZINC000569308721 395576568 /nfs/dbraw/zinc/57/65/68/395576568.db2.gz ZZWVWAZROBOLPB-XQLPTFJDSA-N 0 3 280.412 2.005 20 30 CEEDHN CN1CCN(C[C@H](C#N)CCC#N)CC12CCCCC2 ZINC000571057255 395584236 /nfs/dbraw/zinc/58/42/36/395584236.db2.gz MMQWBOANGZZINI-HNNXBMFYSA-N 0 3 274.412 2.380 20 30 CEEDHN COc1ccc([C@H](CO)CNCc2ccc(C#N)o2)cc1 ZINC000459750062 395666731 /nfs/dbraw/zinc/66/67/31/395666731.db2.gz MWDOBOYLRXYZGS-ZDUSSCGKSA-N 0 3 286.331 2.026 20 30 CEEDHN CC[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000459784091 395666787 /nfs/dbraw/zinc/66/67/87/395666787.db2.gz WMQBVEGHKCZGIV-DFBGVHRSSA-N 0 3 287.363 2.042 20 30 CEEDHN Cc1nn(C)c(N2CCN(C[C@@H]3CC=CCC3)CC2)c1C#N ZINC000471805180 395666939 /nfs/dbraw/zinc/66/69/39/395666939.db2.gz PVACTJQPUOOMJZ-OAHLLOKOSA-N 0 3 299.422 2.079 20 30 CEEDHN CC(C)[C@@H]1CN(CCOc2cccc(C#N)c2)CCN1C ZINC000488004653 395667855 /nfs/dbraw/zinc/66/78/55/395667855.db2.gz ASRFWJQSWLHBFR-KRWDZBQOSA-N 0 3 287.407 2.209 20 30 CEEDHN C[C@@H]1C[C@@H]1CN[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000488550579 395668351 /nfs/dbraw/zinc/66/83/51/395668351.db2.gz YPCFLJMKMFLQFI-XPKDYRNWSA-N 0 3 283.375 2.299 20 30 CEEDHN C#CCN(C)CCCNC(=O)C/C=C/c1cccc(F)c1 ZINC000491464517 395669813 /nfs/dbraw/zinc/66/98/13/395669813.db2.gz RLVXKVMUOXMIBV-VMPITWQZSA-N 0 3 288.366 2.300 20 30 CEEDHN C#CCN(C)CCCNC(=O)C/C=C\c1cccc(F)c1 ZINC000491464518 395669864 /nfs/dbraw/zinc/66/98/64/395669864.db2.gz RLVXKVMUOXMIBV-YVMONPNESA-N 0 3 288.366 2.300 20 30 CEEDHN C=CCC[C@H](O)CN[C@H](CCO)c1ccccc1F ZINC000646068431 396282792 /nfs/dbraw/zinc/28/27/92/396282792.db2.gz SBHDTLSQOBBLGQ-SWLSCSKDSA-N 0 3 267.344 2.166 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000360228481 155249593 /nfs/dbraw/zinc/24/95/93/155249593.db2.gz SVQIYKZIGBGRLS-NWDGAFQWSA-N 0 3 289.379 2.452 20 30 CEEDHN C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1cccc(C#N)c1 ZINC000360331772 155276097 /nfs/dbraw/zinc/27/60/97/155276097.db2.gz GCVKZYFQCPAZLI-XKQJLSEDSA-N 0 3 297.402 2.357 20 30 CEEDHN CN(C)C(=O)CCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360659074 155347308 /nfs/dbraw/zinc/34/73/08/155347308.db2.gz WPXTXVKNSJURPU-MRXNPFEDSA-N 0 3 285.391 2.394 20 30 CEEDHN COc1ccc(OCCNCc2cc(C#N)n(C)c2)cc1 ZINC000190706019 153143841 /nfs/dbraw/zinc/14/38/41/153143841.db2.gz SIILTPGHOVWEJP-UHFFFAOYSA-N 0 3 285.347 2.074 20 30 CEEDHN N#Cc1ccc(CNC[C@@H]2CCC[C@@H](O)C2)c(F)c1 ZINC000227597993 153346466 /nfs/dbraw/zinc/34/64/66/153346466.db2.gz PRTNAGNOBNEHEZ-TZMCWYRMSA-N 0 3 262.328 2.338 20 30 CEEDHN COC[C@H](C)N(C)CCOCc1ccc(C#N)cc1 ZINC000344079207 154268481 /nfs/dbraw/zinc/26/84/81/154268481.db2.gz ZKEAODBUYGKIOX-ZDUSSCGKSA-N 0 3 262.353 2.042 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN2CCC(c3cn[nH]c3)CC2)cc1 ZINC000363813102 156043119 /nfs/dbraw/zinc/04/31/19/156043119.db2.gz FESWNJKRCULBEJ-KRWDZBQOSA-N 0 3 296.374 2.194 20 30 CEEDHN Cc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1C#N ZINC000367037354 156118099 /nfs/dbraw/zinc/11/80/99/156118099.db2.gz SITQQHNXTKVQAP-CJNGLKHVSA-N 0 3 283.375 2.033 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CCC[C@H](C3CC3)C2)c1 ZINC000367307002 156163634 /nfs/dbraw/zinc/16/36/34/156163634.db2.gz CJMOSHFYXPPXOO-KRWDZBQOSA-N 0 3 297.402 2.296 20 30 CEEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H]3OCC[C@H]32)cc1 ZINC000370201734 156552494 /nfs/dbraw/zinc/55/24/94/156552494.db2.gz NUSIXGSDBWQGTE-HZPDHXFCSA-N 0 3 299.374 2.140 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000376167445 157192408 /nfs/dbraw/zinc/19/24/08/157192408.db2.gz QFPOXQZWUNYUKQ-HOCLYGCPSA-N 0 3 298.390 2.425 20 30 CEEDHN N#Cc1ccc(OCCN2CCC3(CCO3)CC2)cc1 ZINC000376399416 157218153 /nfs/dbraw/zinc/21/81/53/157218153.db2.gz PFUWJKPFTONLAJ-UHFFFAOYSA-N 0 3 272.348 2.192 20 30 CEEDHN C[C@@H](CN1CCCC1=O)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353258712 286829893 /nfs/dbraw/zinc/82/98/93/286829893.db2.gz RLJXDIDRJAFDLS-BLLLJJGKSA-N 0 3 283.375 2.146 20 30 CEEDHN CC[C@@H]1CCC[C@@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000348156530 287078527 /nfs/dbraw/zinc/07/85/27/287078527.db2.gz DFMQHIZXRINCCU-VHDGCEQUSA-N 0 3 271.364 2.253 20 30 CEEDHN Cn1cc(N2CCC[C@@H](NCc3cccc(C#N)c3)C2)cn1 ZINC000174519560 165108132 /nfs/dbraw/zinc/10/81/32/165108132.db2.gz QVNJTRNOHGEXGG-MRXNPFEDSA-N 0 3 295.390 2.050 20 30 CEEDHN N#Cc1ccc(CN[C@H]2Cc3ccccc3[C@H]2O)s1 ZINC000176970843 165182957 /nfs/dbraw/zinc/18/29/57/165182957.db2.gz XIOQIJGMWDLQIZ-LSDHHAIUSA-N 0 3 270.357 2.368 20 30 CEEDHN N#Cc1ccc(OCCN[C@@H](CO)c2ccccc2)cc1 ZINC000182919898 165379912 /nfs/dbraw/zinc/37/99/12/165379912.db2.gz TYVOQCZEAVGRGO-KRWDZBQOSA-N 0 3 282.343 2.260 20 30 CEEDHN Cc1nnc2n1C[C@H](N[C@H](C)c1ccc(C#N)s1)CC2 ZINC000361123151 165561010 /nfs/dbraw/zinc/56/10/10/165561010.db2.gz FFEZFUMYOUOPNA-MWLCHTKSSA-N 0 3 287.392 2.185 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](C)c1ccccc1 ZINC000007016098 170262523 /nfs/dbraw/zinc/26/25/23/170262523.db2.gz BFKBBKXLVXEGOB-CZUORRHYSA-N 0 3 273.380 2.392 20 30 CEEDHN CN(C)[C@H]1CCCN(C(=O)c2cc(C#N)ccc2Cl)C1 ZINC000285189517 196217125 /nfs/dbraw/zinc/21/71/25/196217125.db2.gz DRJUTDCOXPHVSK-LBPRGKRZSA-N 0 3 291.782 2.378 20 30 CEEDHN CN(CCOc1cccc(C#N)c1)[C@H]1CCSC1 ZINC000037174826 173009515 /nfs/dbraw/zinc/00/95/15/173009515.db2.gz XJIJZEWUIGGBDS-ZDUSSCGKSA-N 0 3 262.378 2.374 20 30 CEEDHN C=CC[C@]1(C(=O)Nc2cc(F)ccc2[O-])CCC[NH2+]1 ZINC000662823780 414760418 /nfs/dbraw/zinc/76/04/18/414760418.db2.gz WRIMMIUXZCKJNQ-CQSZACIVSA-N 0 3 264.300 2.168 20 30 CEEDHN C=CCOCCCNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000660340903 414779526 /nfs/dbraw/zinc/77/95/26/414779526.db2.gz RJEGBNVQNIEOAF-LSDHHAIUSA-N 0 3 297.443 2.141 20 30 CEEDHN C=CCC1(NC(=O)[C@H]2CNCCC2(F)F)CCCC1 ZINC000662888831 414790492 /nfs/dbraw/zinc/79/04/92/414790492.db2.gz NHBJLUROJNZKOQ-LLVKDONJSA-N 0 3 272.339 2.236 20 30 CEEDHN CC#CCCCC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654319703 414906645 /nfs/dbraw/zinc/90/66/45/414906645.db2.gz PESJTPVQRXXTMD-HUUCEWRRSA-N 0 3 262.397 2.313 20 30 CEEDHN C=CCCn1cc(CNC[C@@H](C)c2ccncc2)nn1 ZINC000657389992 414908105 /nfs/dbraw/zinc/90/81/05/414908105.db2.gz QXWQKMRWKDOWGN-CYBMUJFWSA-N 0 3 271.368 2.143 20 30 CEEDHN C=C(C)CCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654580168 414978212 /nfs/dbraw/zinc/97/82/12/414978212.db2.gz OEWXIYWLWNJNLG-KGLIPLIRSA-N 0 3 265.401 2.269 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cn(C2CCC2)nn1 ZINC000657454794 414945934 /nfs/dbraw/zinc/94/59/34/414945934.db2.gz MLIWVNPLVJQXMB-DOMZBBRYSA-N 0 3 276.384 2.074 20 30 CEEDHN CCC#C[C@@H](C)N1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000653707604 415080883 /nfs/dbraw/zinc/08/08/83/415080883.db2.gz IDOLRJWCZDNQEB-OCCSQVGLSA-N 0 3 262.397 2.025 20 30 CEEDHN C=C(CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC000655079374 415094014 /nfs/dbraw/zinc/09/40/14/415094014.db2.gz QGAHQDHIIVCOGF-CYBMUJFWSA-N 0 3 258.365 2.158 20 30 CEEDHN C=CCOCCCNCc1c(C2CCC2)cnn1C ZINC000657658893 415039731 /nfs/dbraw/zinc/03/97/31/415039731.db2.gz JFYBXQXQYLTIOX-UHFFFAOYSA-N 0 3 263.385 2.370 20 30 CEEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ncnn1CCF ZINC000661114974 415102219 /nfs/dbraw/zinc/10/22/19/415102219.db2.gz NMNHOOPWPJQXJO-STQMWFEESA-N 0 3 266.364 2.472 20 30 CEEDHN C=CCOCCCC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000655272218 415169336 /nfs/dbraw/zinc/16/93/36/415169336.db2.gz NTCQVFSAOLTUFN-UHFFFAOYSA-N 0 3 282.428 2.302 20 30 CEEDHN C=CCOCCCN[C@@H](c1cccs1)c1nnc[nH]1 ZINC000658205540 415256684 /nfs/dbraw/zinc/25/66/84/415256684.db2.gz ILLSLDCZOSKHGQ-LBPRGKRZSA-N 0 3 278.381 2.138 20 30 CEEDHN C=CCOCCN[C@H](COC)c1cccc(OC)c1 ZINC000661471298 415279670 /nfs/dbraw/zinc/27/96/70/415279670.db2.gz VYVRLGDIVXPRKL-OAHLLOKOSA-N 0 3 265.353 2.175 20 30 CEEDHN C=C(CC)CNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659044514 415396482 /nfs/dbraw/zinc/39/64/82/415396482.db2.gz RBWJGBZCHGKXNE-OAHLLOKOSA-N 0 3 289.379 2.435 20 30 CEEDHN CC(=O)c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000655610047 415361662 /nfs/dbraw/zinc/36/16/62/415361662.db2.gz FOUVWNQGAVOXLM-CQSZACIVSA-N 0 3 273.336 2.239 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCCCOCC ZINC000662079783 415612779 /nfs/dbraw/zinc/61/27/79/415612779.db2.gz MFSUCIQCWIVOIM-KFWWJZLASA-N 0 3 280.412 2.101 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCCCC ZINC000662079291 415613429 /nfs/dbraw/zinc/61/34/29/415613429.db2.gz MBJQTCPWLJCZST-OKILXGFUSA-N 0 3 250.386 2.476 20 30 CEEDHN C=CCCCCCNC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000665255189 415654633 /nfs/dbraw/zinc/65/46/33/415654633.db2.gz LAVXEUHTBDDKAT-CQSZACIVSA-N 0 3 267.417 2.468 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](COC)OC ZINC000659848398 415728867 /nfs/dbraw/zinc/72/88/67/415728867.db2.gz DHWPHFYWHUZQOM-MRXNPFEDSA-N 0 3 279.380 2.345 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCCCSC)CC1 ZINC000076978431 177136750 /nfs/dbraw/zinc/13/67/50/177136750.db2.gz ZOLDABOCIIUOLS-UHFFFAOYSA-N 0 3 285.457 2.079 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCc2cccs2)CC1 ZINC000078544792 177352285 /nfs/dbraw/zinc/35/22/85/177352285.db2.gz NIEMZGRBELACGL-UHFFFAOYSA-N 0 3 293.436 2.240 20 30 CEEDHN C=CCN1CCC(NC(=O)NCc2cccs2)CC1 ZINC000078544801 177352448 /nfs/dbraw/zinc/35/24/48/177352448.db2.gz MRPXZRXBBLHHIV-UHFFFAOYSA-N 0 3 279.409 2.198 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000348631085 287382466 /nfs/dbraw/zinc/38/24/66/287382466.db2.gz YJJBIFCGQGYEKX-WBVHZDCISA-N 0 3 287.407 2.215 20 30 CEEDHN O=C(CN1CCC[C@@H]1C1CCOCC1)NC[C@@H]1CCCO1 ZINC000329255511 227386941 /nfs/dbraw/zinc/38/69/41/227386941.db2.gz AOQYASJUJLDIGI-LSDHHAIUSA-N 0 3 296.411 2.013 20 30 CEEDHN CCn1c2ccccc2nc1[C@H](C)NC(=O)C(C)C#N ZINC000347128579 226037411 /nfs/dbraw/zinc/03/74/11/226037411.db2.gz GMYAYXJHXLEQRS-MNOVXSKESA-N 0 3 270.336 2.393 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)CC(=O)c1ccc(F)cc1 ZINC000347508620 226170806 /nfs/dbraw/zinc/17/08/06/226170806.db2.gz HYAPARIRHCYTCX-NXEZZACHSA-N 0 3 262.284 2.063 20 30 CEEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)ccc1F ZINC000354467332 227003678 /nfs/dbraw/zinc/00/36/78/227003678.db2.gz LAYOOFBCCWIZTM-LLVKDONJSA-N 0 3 255.252 2.414 20 30 CEEDHN CC(C#N)C(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000336499188 227064103 /nfs/dbraw/zinc/06/41/03/227064103.db2.gz GCMYYNGOMWBEKN-MRVPVSSYSA-N 0 3 264.712 2.051 20 30 CEEDHN CC(C#N)C(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000336499198 227064263 /nfs/dbraw/zinc/06/42/63/227064263.db2.gz GCMYYNGOMWBEKN-QMMMGPOBSA-N 0 3 264.712 2.051 20 30 CEEDHN CC(C#N)C(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000336500352 227074822 /nfs/dbraw/zinc/07/48/22/227074822.db2.gz UKQGJSAVPMNLFN-LLVKDONJSA-N 0 3 276.311 2.355 20 30 CEEDHN C=CCSCCNC(=O)NC[C@H]1CCCCN1CC ZINC000171845880 335082435 /nfs/dbraw/zinc/08/24/35/335082435.db2.gz PYQOVEQEDCSGAU-CYBMUJFWSA-N 0 3 285.457 2.079 20 30 CEEDHN O=C(NCC1CC1)[C@@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC000330134579 228047319 /nfs/dbraw/zinc/04/73/19/228047319.db2.gz RZCVEOPRURODJV-OLZOCXBDSA-N 0 3 279.384 2.184 20 30 CEEDHN N#CCc1ccc(CN2CCC[C@H](n3cncn3)C2)cc1 ZINC000332392397 228157565 /nfs/dbraw/zinc/15/75/65/228157565.db2.gz ZWYNKPOKYXPFDF-INIZCTEOSA-N 0 3 281.363 2.181 20 30 CEEDHN CC(C#N)C(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000336047915 228182311 /nfs/dbraw/zinc/18/23/11/228182311.db2.gz YLTQMQUMVMAVJA-ZWNOBZJWSA-N 0 3 278.739 2.400 20 30 CEEDHN C[C@]1(c2ccccc2)CCCN(CC(=O)NCC#N)CC1 ZINC000352196091 228195180 /nfs/dbraw/zinc/19/51/80/228195180.db2.gz WLWDXQUSPCCFOK-KRWDZBQOSA-N 0 3 285.391 2.070 20 30 CEEDHN C=C[C@H]1CCCCN1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000667804683 419813198 /nfs/dbraw/zinc/81/31/98/419813198.db2.gz MSSRLYPWSGMIMS-AWEZNQCLSA-N 0 3 286.379 2.300 20 30 CEEDHN C#Cc1ccc(CNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000297653497 260131377 /nfs/dbraw/zinc/13/13/77/260131377.db2.gz NXZYZNBIRQGFJN-YOEHRIQHSA-N 0 3 299.418 2.150 20 30 CEEDHN CC#CCN(C)CCC(=O)NCc1ccccc1Cl ZINC000298040693 260141448 /nfs/dbraw/zinc/14/14/48/260141448.db2.gz DFWWTAVLUUSXGZ-UHFFFAOYSA-N 0 3 278.783 2.301 20 30 CEEDHN C[C@H](C(=O)NCC#Cc1ccccc1)N1[C@H](C)CC[C@@H]1C ZINC000299598867 260189407 /nfs/dbraw/zinc/18/94/07/260189407.db2.gz DXZJJHAWMMQJRB-OWCLPIDISA-N 0 3 284.403 2.416 20 30 CEEDHN CN(CCCNC(=O)C1(C#N)CCC1)Cc1ccccc1 ZINC000083795067 260190588 /nfs/dbraw/zinc/19/05/88/260190588.db2.gz QGPMOCCFEFDCIZ-UHFFFAOYSA-N 0 3 285.391 2.319 20 30 CEEDHN C=C(C)COCCNCc1c(C)nc2ccccn21 ZINC000125797591 260344133 /nfs/dbraw/zinc/34/41/33/260344133.db2.gz FIKUFVYLLAAAKM-UHFFFAOYSA-N 0 3 259.353 2.325 20 30 CEEDHN C=CCOc1ccccc1CN1CC[C@@H](O)[C@H](C)C1 ZINC000428462907 260745636 /nfs/dbraw/zinc/74/56/36/260745636.db2.gz MHBXGRYPNDLQKP-UKRRQHHQSA-N 0 3 261.365 2.454 20 30 CEEDHN C#CCNC(=O)C1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000491153663 261352309 /nfs/dbraw/zinc/35/23/09/261352309.db2.gz BUWCXBIIYOMTHC-ZDUSSCGKSA-N 0 3 288.366 2.348 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000177552535 261360728 /nfs/dbraw/zinc/36/07/28/261360728.db2.gz CNIBRLIYEPZPPV-LZWOXQAQSA-N 0 3 277.412 2.163 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC(C2CCCCC2)C1 ZINC000491265921 261393942 /nfs/dbraw/zinc/39/39/42/261393942.db2.gz NFYHJAAYRPDZSY-UHFFFAOYSA-N 0 3 291.439 2.163 20 30 CEEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C)C2(CCC2)C1 ZINC000526058217 262027926 /nfs/dbraw/zinc/02/79/26/262027926.db2.gz TWUBXHNCHLJSSZ-KGLIPLIRSA-N 0 3 289.423 2.449 20 30 CEEDHN C=CCC(CC=C)C(=O)N(C)CCN(C)C1CC1 ZINC000186805015 262110569 /nfs/dbraw/zinc/11/05/69/262110569.db2.gz AMEQZCIGSYTTIC-UHFFFAOYSA-N 0 3 250.386 2.307 20 30 CEEDHN C=CCNC(=O)[C@H](C)N1CC[C@@](C)(c2ccccc2)C1 ZINC000364396703 262227822 /nfs/dbraw/zinc/22/78/22/262227822.db2.gz CVYPGCJIZRTLBJ-WMLDXEAASA-N 0 3 272.392 2.341 20 30 CEEDHN O=C(/C=N/OCCN1CCCCC1)Nc1ccccc1 ZINC000194369544 262236716 /nfs/dbraw/zinc/23/67/16/262236716.db2.gz HOQZJUNHNHUNNF-DTQAZKPQSA-N 0 3 275.352 2.113 20 30 CEEDHN C=CCC1(C(=O)N2CCCN(CCCOC)CC2)CCC1 ZINC000364583578 262254198 /nfs/dbraw/zinc/25/41/98/262254198.db2.gz UBDOPFLFCAJMTR-UHFFFAOYSA-N 0 3 294.439 2.304 20 30 CEEDHN C#CCOc1ccc(CN2CCOCC[C@@H]2C)cc1 ZINC000367703321 262263240 /nfs/dbraw/zinc/26/32/40/262263240.db2.gz ITSHJIODXRBUFE-AWEZNQCLSA-N 0 3 259.349 2.309 20 30 CEEDHN C(#Cc1ccccc1)CN1CCN([C@H]2CCSC2)CC1 ZINC000365262981 262356450 /nfs/dbraw/zinc/35/64/50/262356450.db2.gz BVCFVFLRALBUCC-KRWDZBQOSA-N 0 3 286.444 2.161 20 30 CEEDHN N#CCCOCCN1CCCN(c2ccccc2F)CC1 ZINC000339196994 262616058 /nfs/dbraw/zinc/61/60/58/262616058.db2.gz WALXZSICTAUGFW-UHFFFAOYSA-N 0 3 291.370 2.268 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H](CC2CC2)C1 ZINC000339680435 262661509 /nfs/dbraw/zinc/66/15/09/262661509.db2.gz VDWJOPQNDKKRJQ-HOCLYGCPSA-N 0 3 277.412 2.163 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(CC#N)cc2)CC1 ZINC000270293508 262985852 /nfs/dbraw/zinc/98/58/52/262985852.db2.gz MBQYBFPUJRPTJI-UHFFFAOYSA-N 0 3 283.375 2.133 20 30 CEEDHN N#CCCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000273104302 263012635 /nfs/dbraw/zinc/01/26/35/263012635.db2.gz MAMBAKTUWHYBIC-UHFFFAOYSA-N 0 3 271.364 2.316 20 30 CEEDHN COc1cc([C@@H](C)NCCCC#N)ccc1S(C)(=O)=O ZINC000273301749 263015001 /nfs/dbraw/zinc/01/50/01/263015001.db2.gz UWYBGMWQJPHMOE-LLVKDONJSA-N 0 3 296.392 2.053 20 30 CEEDHN N#CCOc1ccc(CN2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000277011103 263039181 /nfs/dbraw/zinc/03/91/81/263039181.db2.gz YEWINKQXGZPNJI-UHFFFAOYSA-N 0 3 295.342 2.248 20 30 CEEDHN C[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279639453 263056346 /nfs/dbraw/zinc/05/63/46/263056346.db2.gz WNVNFDNVAYJXLH-WFASDCNBSA-N 0 3 267.332 2.109 20 30 CEEDHN CC(C)OCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280625496 263063316 /nfs/dbraw/zinc/06/33/16/263063316.db2.gz YMTGWBCGZWFFPR-INIZCTEOSA-N 0 3 299.374 2.172 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCCN(c3nccs3)CC2)C1 ZINC000280724775 263063813 /nfs/dbraw/zinc/06/38/13/263063813.db2.gz CLJSIAINBPVSEL-CHWSQXEVSA-N 0 3 276.409 2.347 20 30 CEEDHN CC1(C#N)CN(C(=O)c2ccc(CN3CCCC3)cc2)C1 ZINC000281471215 263069416 /nfs/dbraw/zinc/06/94/16/263069416.db2.gz COPSNCYTFZBCKI-UHFFFAOYSA-N 0 3 283.375 2.268 20 30 CEEDHN Cn1ncc(Cl)c1CNCC1CCC(C#N)CC1 ZINC000282054487 263073805 /nfs/dbraw/zinc/07/38/05/263073805.db2.gz BEBDKIUSKPLKFP-UHFFFAOYSA-N 0 3 266.776 2.493 20 30 CEEDHN C=C[C@](C)(O)CC(=O)Nc1ccc(CN(C)C)cc1 ZINC000283821668 263084395 /nfs/dbraw/zinc/08/43/95/263084395.db2.gz YNUTWLWBNSERMV-HNNXBMFYSA-N 0 3 262.353 2.014 20 30 CEEDHN N=C(NCCOCC1CC1)Nc1cc(F)ccc1F ZINC000288683630 263105379 /nfs/dbraw/zinc/10/53/79/263105379.db2.gz JCVLFLOZTHSCAA-UHFFFAOYSA-N 0 3 269.295 2.118 20 30 CEEDHN N#CCSCCCN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289814929 263112265 /nfs/dbraw/zinc/11/22/65/263112265.db2.gz IYWXESYAKBAIMM-LBPRGKRZSA-N 0 3 284.816 2.430 20 30 CEEDHN COCC(C)(C)N(C)Cc1ccc(OCC#N)cc1 ZINC000292220684 263129616 /nfs/dbraw/zinc/12/96/16/263129616.db2.gz UWNQUQROGJVZIY-UHFFFAOYSA-N 0 3 262.353 2.446 20 30 CEEDHN Cn1cccc1[C@@H]1CCCCN1CCOCCC#N ZINC000292709724 263134101 /nfs/dbraw/zinc/13/41/01/263134101.db2.gz FAFHURMXVNJPEX-HNNXBMFYSA-N 0 3 261.369 2.482 20 30 CEEDHN C[C@H](NC(=O)CCCC#N)[C@H](c1ccccc1)N(C)C ZINC000293252934 263138955 /nfs/dbraw/zinc/13/89/55/263138955.db2.gz KYOAQVWRYRAVIE-XJKSGUPXSA-N 0 3 273.380 2.488 20 30 CEEDHN Cc1cnccc1OC1CCN(CCOCCC#N)CC1 ZINC000294165661 263156793 /nfs/dbraw/zinc/15/67/93/263156793.db2.gz PSCLENGISZHBLR-UHFFFAOYSA-N 0 3 289.379 2.164 20 30 CEEDHN CCn1nccc1C1CCN(CCOCCC#N)CC1 ZINC000294176912 263156958 /nfs/dbraw/zinc/15/69/58/263156958.db2.gz QFPMLDIEUNGPTE-UHFFFAOYSA-N 0 3 276.384 2.013 20 30 CEEDHN CSc1ccc([C@H](CNC(=O)CC#N)N(C)C)cc1 ZINC000295057958 263171399 /nfs/dbraw/zinc/17/13/99/263171399.db2.gz YERXSULMISRKNE-ZDUSSCGKSA-N 0 3 277.393 2.041 20 30 CEEDHN C[C@H](C#N)CN(C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000298672165 263223414 /nfs/dbraw/zinc/22/34/14/263223414.db2.gz JONGUWPWCKQZIS-CYBMUJFWSA-N 0 3 288.395 2.049 20 30 CEEDHN C=CCCC[C@@H](C)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000340902014 263308929 /nfs/dbraw/zinc/30/89/29/263308929.db2.gz SOOIWJYELXXNBU-OLZOCXBDSA-N 0 3 259.415 2.098 20 30 CEEDHN C=CCSCCNC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000341090514 263321522 /nfs/dbraw/zinc/32/15/22/263321522.db2.gz CAXDDDKWEPYUGL-ZIAGYGMSSA-N 0 3 299.484 2.468 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000341166172 263324940 /nfs/dbraw/zinc/32/49/40/263324940.db2.gz KBFVEXCKYLRXBU-GJZGRUSLSA-N 0 3 280.412 2.054 20 30 CEEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000341890228 263363930 /nfs/dbraw/zinc/36/39/30/263363930.db2.gz TURKYVZGXAKGTO-VXGBXAGGSA-N 0 3 264.325 2.430 20 30 CEEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000342010808 263377570 /nfs/dbraw/zinc/37/75/70/263377570.db2.gz LXCTYMBXAZNSHF-OUCADQQQSA-N 0 3 250.386 2.188 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)CC1 ZINC000416685852 263745524 /nfs/dbraw/zinc/74/55/24/263745524.db2.gz MNINVZFLSVTSQT-BFHYXJOUSA-N 0 3 279.428 2.323 20 30 CEEDHN N#Cc1c(F)cccc1C(=O)NCCN1CCCCCC1 ZINC000188198669 270256033 /nfs/dbraw/zinc/25/60/33/270256033.db2.gz MNMWZGYAHDDRBM-UHFFFAOYSA-N 0 3 289.354 2.303 20 30 CEEDHN CCNC(=O)N1CC[C@H](N[C@H](CC)c2ccc(F)cn2)C1 ZINC000330697315 264005831 /nfs/dbraw/zinc/00/58/31/264005831.db2.gz FKNKSAHOZRBOFR-QWHCGFSZSA-N 0 3 294.374 2.270 20 30 CEEDHN C#C[C@H]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC000874864647 649858496 /nfs/dbraw/zinc/85/84/96/649858496.db2.gz NZHSUJKHNKTERB-RBSFLKMASA-N 0 3 262.397 2.169 20 30 CEEDHN Cc1ncc(C(=O)NC[C@@H]2CCN(C)C2)c(C(C)C)n1 ZINC000330783638 264052411 /nfs/dbraw/zinc/05/24/11/264052411.db2.gz INGLJVVFVFILPY-LBPRGKRZSA-N 0 3 276.384 2.165 20 30 CEEDHN N#CCCCC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000330890715 264076096 /nfs/dbraw/zinc/07/60/96/264076096.db2.gz JNZPEXIWPQVSNY-UHFFFAOYSA-N 0 3 295.452 2.158 20 30 CEEDHN CC(C)CCn1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)nn1 ZINC000330899047 264078775 /nfs/dbraw/zinc/07/87/75/264078775.db2.gz IRPJYWQUYCOQFA-CHWSQXEVSA-N 0 3 293.415 2.112 20 30 CEEDHN CC(C)CCn1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)nn1 ZINC000330899048 264079089 /nfs/dbraw/zinc/07/90/89/264079089.db2.gz IRPJYWQUYCOQFA-QWHCGFSZSA-N 0 3 293.415 2.112 20 30 CEEDHN CSc1c(C(=O)NCCN2CCC(C)CC2)cnn1C ZINC000331072541 264113640 /nfs/dbraw/zinc/11/36/40/264113640.db2.gz JOFMQUPJGGMIBJ-UHFFFAOYSA-N 0 3 296.440 2.179 20 30 CEEDHN COC(=O)COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000425359622 264141220 /nfs/dbraw/zinc/14/12/20/264141220.db2.gz WHMNTZCYONBGJY-UONOGXRCSA-N 0 3 288.347 2.020 20 30 CEEDHN CC[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCO1 ZINC000331193298 264157874 /nfs/dbraw/zinc/15/78/74/264157874.db2.gz MFSFUWHNCYJXQD-HOTGVXAUSA-N 0 3 286.375 2.396 20 30 CEEDHN CCc1occc1C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000331221305 264166431 /nfs/dbraw/zinc/16/64/31/264166431.db2.gz JXNNPXRPVXAQGW-CYBMUJFWSA-N 0 3 294.395 2.239 20 30 CEEDHN C#CC(C)(C)N(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000286364603 264578586 /nfs/dbraw/zinc/57/85/86/264578586.db2.gz YKMUPGKZBIMZIT-CQSZACIVSA-N 0 3 272.348 2.355 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C/c1ccc(Cl)s1 ZINC000294044379 265004869 /nfs/dbraw/zinc/00/48/69/265004869.db2.gz SWHWEBPUOHNTFR-SOFGYWHQSA-N 0 3 296.823 2.486 20 30 CEEDHN C#CCN(C)CCCNC(=O)C(C)(C)Cc1ccccc1 ZINC000294068531 265005964 /nfs/dbraw/zinc/00/59/64/265005964.db2.gz VQQUTUTUPNXENS-UHFFFAOYSA-N 0 3 286.419 2.327 20 30 CEEDHN N#CC1(NC(=O)CN[C@@H]2CCC[C@@H]2c2ccccc2)CCC1 ZINC000525886366 265034467 /nfs/dbraw/zinc/03/44/67/265034467.db2.gz HWFBRXBVIRAYMU-HZPDHXFCSA-N 0 3 297.402 2.475 20 30 CEEDHN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)C(C)C#N)c1 ZINC000345754057 265096810 /nfs/dbraw/zinc/09/68/10/265096810.db2.gz RHCSNBJITHRAFY-RYUDHWBXSA-N 0 3 287.363 2.447 20 30 CEEDHN CC(C)(C#N)CCN1CCC(C(=O)N2CCCC2)CC1 ZINC000345706703 265097727 /nfs/dbraw/zinc/09/77/27/265097727.db2.gz GQXJCSBEQTWDBL-UHFFFAOYSA-N 0 3 277.412 2.261 20 30 CEEDHN CCC[C@@H]1[C@H](C)CCCN1CC(=O)NC1(C#N)CCC1 ZINC000346979985 265122113 /nfs/dbraw/zinc/12/21/13/265122113.db2.gz LAFMBIMPVPITGH-ZIAGYGMSSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CCOCCCN(C)Cc1ccc(C(=O)NC)cc1 ZINC000347966532 265139006 /nfs/dbraw/zinc/13/90/06/265139006.db2.gz NQRKZNWTXZPAAR-UHFFFAOYSA-N 0 3 276.380 2.071 20 30 CEEDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCC(=O)N(C)CCC#N ZINC000348242411 265146859 /nfs/dbraw/zinc/14/68/59/265146859.db2.gz JZAKEZFEGNDRIL-MNOVXSKESA-N 0 3 291.317 2.021 20 30 CEEDHN CC(C#N)C(=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000349581405 265198875 /nfs/dbraw/zinc/19/88/75/265198875.db2.gz NKFGPYYGIWLJKB-HIFRSBDPSA-N 0 3 272.348 2.006 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)NC1CCN(CC)CC1 ZINC000335852490 265222864 /nfs/dbraw/zinc/22/28/64/265222864.db2.gz XWMDYWINGQYDEG-CQSZACIVSA-N 0 3 265.401 2.221 20 30 CEEDHN N#CC1(NC(=O)CN[C@H](c2cccs2)C2CC2)CCC1 ZINC000525893781 266003202 /nfs/dbraw/zinc/00/32/02/266003202.db2.gz 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ZINC000420237324 270490797 /nfs/dbraw/zinc/49/07/97/270490797.db2.gz LYOZDTVMRRSORR-NSHDSACASA-N 0 3 266.348 2.213 20 30 CEEDHN COCC(C)(C)N1CCN(Cc2ccccc2C#N)CC1 ZINC000425348235 271159313 /nfs/dbraw/zinc/15/93/13/271159313.db2.gz IYKYEDVQNCWOJB-UHFFFAOYSA-N 0 3 287.407 2.101 20 30 CEEDHN CNC(=O)[C@@H]1CCC[C@H]1NCC#Cc1ccccc1Cl ZINC000348157992 273952401 /nfs/dbraw/zinc/95/24/01/273952401.db2.gz GRKNHZQUEZFXCP-UKRRQHHQSA-N 0 3 290.794 2.196 20 30 CEEDHN CN1C[C@@H]2CCCN(c3ccc(C#N)cc3F)[C@@H]2C1 ZINC000334668614 277196148 /nfs/dbraw/zinc/19/61/48/277196148.db2.gz BSMGVKRXJSQHIO-SWLSCSKDSA-N 0 3 259.328 2.228 20 30 CEEDHN CC(C)(O)CN(Cc1ccc(C#N)s1)C1CC1 ZINC000189946669 277314345 /nfs/dbraw/zinc/31/43/45/277314345.db2.gz KMOJDODGGBBOTA-UHFFFAOYSA-N 0 3 250.367 2.355 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000346128078 277833219 /nfs/dbraw/zinc/83/32/19/277833219.db2.gz ITRSCEQJYYKCNQ-ZNMIVQPWSA-N 0 3 280.412 2.053 20 30 CEEDHN CC(C)(C#N)CCN1CCOCC2(CCOCC2)C1 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C[C@H](C(=O)N(C)CCC#N)N1C[C@H](C)CC(C)(C)C1 ZINC000344085589 289251384 /nfs/dbraw/zinc/25/13/84/289251384.db2.gz SJYIBWXSMWFSIE-CHWSQXEVSA-N 0 3 265.401 2.115 20 30 CEEDHN C[C@H](N[C@H]1CC(=O)N2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000376587930 290039260 /nfs/dbraw/zinc/03/92/60/290039260.db2.gz AHTFCLDBJDVBTN-VBNZEHGJSA-N 0 3 283.375 2.362 20 30 CEEDHN CN1CC[C@]2(CCN(C(=O)[C@@]3(C#N)CC34CCCC4)C2)C1 ZINC000334633393 290250147 /nfs/dbraw/zinc/25/01/47/290250147.db2.gz FPSKNXCBPFFLGG-RDJZCZTQSA-N 0 3 287.407 2.015 20 30 CEEDHN CC1=CCN(CCNC(=O)CCc2ccc(C#N)cc2)CC1 ZINC000547282149 298360068 /nfs/dbraw/zinc/36/00/68/298360068.db2.gz SCYRKNNGQLCUSX-UHFFFAOYSA-N 0 3 297.402 2.259 20 30 CEEDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc(F)c1C#N ZINC000189537739 300314748 /nfs/dbraw/zinc/31/47/48/300314748.db2.gz FHTFQTRGIAKAAC-NWDGAFQWSA-N 0 3 287.338 2.006 20 30 CEEDHN N#Cc1ccc(OCCNCc2cccc(O)c2)cc1 ZINC000174560656 312690707 /nfs/dbraw/zinc/69/07/07/312690707.db2.gz CGZWKAAYIUFWFT-UHFFFAOYSA-N 0 3 268.316 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276.380 2.208 20 30 CEEDHN CC(C)(C)c1nnc(CNC(=N)Nc2ccccn2)s1 ZINC000262350652 328149837 /nfs/dbraw/zinc/14/98/37/328149837.db2.gz FDRQBFUVTNTZFU-UHFFFAOYSA-N 0 3 290.396 2.157 20 30 CEEDHN C=CCCCNCc1ccc(S(C)(=O)=O)s1 ZINC000414429627 328168351 /nfs/dbraw/zinc/16/83/51/328168351.db2.gz CJDSPJYJEXNIMI-UHFFFAOYSA-N 0 3 259.396 2.207 20 30 CEEDHN N#CCc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000270309758 328192976 /nfs/dbraw/zinc/19/29/76/328192976.db2.gz SEDCXKBGGQTTHM-UHFFFAOYSA-N 0 3 283.375 2.109 20 30 CEEDHN Cc1ccc([C@@H](CNC(=O)NCCCC#N)N(C)C)cc1 ZINC000273022150 328203056 /nfs/dbraw/zinc/20/30/56/328203056.db2.gz CCAQVKGOBLHLTF-OAHLLOKOSA-N 0 3 288.395 2.201 20 30 CEEDHN COc1ccccc1-n1nccc1CNCCCC#N ZINC000281634791 328240990 /nfs/dbraw/zinc/24/09/90/328240990.db2.gz LZJCWKIVGVKFLZ-UHFFFAOYSA-N 0 3 270.336 2.274 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CSC(F)F)CC1 ZINC000294519792 328281524 /nfs/dbraw/zinc/28/15/24/328281524.db2.gz GRZUZOPGLCEAFN-UHFFFAOYSA-N 0 3 278.368 2.099 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cc(C)c(C)o2)CC1 ZINC000532010844 328388675 /nfs/dbraw/zinc/38/86/75/328388675.db2.gz XJSKZAKBDFMASN-UHFFFAOYSA-N 0 3 262.353 2.277 20 30 CEEDHN COc1c(C(=O)NC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000331032875 328474417 /nfs/dbraw/zinc/47/44/17/328474417.db2.gz WASQXKHMKPPQND-UHFFFAOYSA-N 0 3 293.323 2.002 20 30 CEEDHN C#Cc1ccccc1CC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000289990022 328528296 /nfs/dbraw/zinc/52/82/96/328528296.db2.gz YJCPDRQWCWFPSY-INIZCTEOSA-N 0 3 298.430 2.447 20 30 CEEDHN C=CCC[C@@H](O)CN[C@@H](c1nnc2ccccn21)C(C)C ZINC000347682416 328575280 /nfs/dbraw/zinc/57/52/80/328575280.db2.gz XRNUAJKAFUWITF-UKRRQHHQSA-N 0 3 288.395 2.343 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1C[C@@H](OCCCC)C1(C)C ZINC000347707546 328576751 /nfs/dbraw/zinc/57/67/51/328576751.db2.gz QHNVIAKMBKSNAY-BFHYXJOUSA-N 0 3 282.428 2.251 20 30 CEEDHN CC[C@@H]1CCC[C@H](NC(=O)[C@H](N)CCCC#N)C1 ZINC000424124695 330257350 /nfs/dbraw/zinc/25/73/50/330257350.db2.gz MPWFLROLYXUDRH-FRRDWIJNSA-N 0 3 251.374 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30 CEEDHN N#CC1(NC(=O)CN2CCC[C@H]2C2CC2)CCCCC1 ZINC000377534925 329017790 /nfs/dbraw/zinc/01/77/90/329017790.db2.gz ZIPTZTIMHMYWII-AWEZNQCLSA-N 0 3 275.396 2.203 20 30 CEEDHN C#CCCN1CCCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000378326652 329046111 /nfs/dbraw/zinc/04/61/11/329046111.db2.gz OJYGDJURPALTOO-UHFFFAOYSA-N 0 3 295.386 2.339 20 30 CEEDHN CC(C)CN(CCN(C)C)C(=O)c1cccc(CC#N)c1 ZINC000171565360 329077472 /nfs/dbraw/zinc/07/74/72/329077472.db2.gz AAXXVYOPKGLARH-UHFFFAOYSA-N 0 3 287.407 2.412 20 30 CEEDHN C=CCN1CCC(NC(=O)N(CC)CCCC)CC1 ZINC000171741380 329078667 /nfs/dbraw/zinc/07/86/67/329078667.db2.gz KLFRPYVFJKIMCL-UHFFFAOYSA-N 0 3 267.417 2.468 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000171730953 329079432 /nfs/dbraw/zinc/07/94/32/329079432.db2.gz GRIHZCPLUUVEDC-ZNMIVQPWSA-N 0 3 291.439 2.372 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1Cc2ccccc2[C@H]1O ZINC000172068775 329080686 /nfs/dbraw/zinc/08/06/86/329080686.db2.gz WALGMNMFDLMSPO-IEBWSBKVSA-N 0 3 293.366 2.447 20 30 CEEDHN CCN(CC)CC(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000172023572 329083413 /nfs/dbraw/zinc/08/34/13/329083413.db2.gz YLKVDZWKVZKQBV-ZDUSSCGKSA-N 0 3 279.771 2.363 20 30 CEEDHN CCc1nc(CNC(=N)Nc2ccccn2)cs1 ZINC000178571191 329200510 /nfs/dbraw/zinc/20/05/10/329200510.db2.gz JCJUZVHUHIYJJT-UHFFFAOYSA-N 0 3 261.354 2.027 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1[C@@H](C)[C@H](OC)C1(CC)CC ZINC000179792630 329212264 /nfs/dbraw/zinc/21/22/64/329212264.db2.gz NPMOHNNJYPMOPP-RQJABVFESA-N 0 3 282.428 2.106 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1[C@H](C)[C@H](OC)C1(CC)CC ZINC000179792603 329212290 /nfs/dbraw/zinc/21/22/90/329212290.db2.gz NPMOHNNJYPMOPP-FQUUOJAGSA-N 0 3 282.428 2.106 20 30 CEEDHN C=CCCC[C@@H](C)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000181099274 329226220 /nfs/dbraw/zinc/22/62/20/329226220.db2.gz DYJOPOBQLYIHRV-CABCVRRESA-N 0 3 277.412 2.387 20 30 CEEDHN C=C(C)CN(C)C[C@H](O)COCc1ccccc1OC ZINC000181289680 329229821 /nfs/dbraw/zinc/22/98/21/329229821.db2.gz LZVQMESPABBWPD-HNNXBMFYSA-N 0 3 279.380 2.081 20 30 CEEDHN CC[C@@H](CC#N)NC1CCN(Cc2ccncc2)CC1 ZINC000184090582 329256120 /nfs/dbraw/zinc/25/61/20/329256120.db2.gz NPDWRTOIYVTADG-HNNXBMFYSA-N 0 3 272.396 2.328 20 30 CEEDHN CC#CCCCC(=O)N[C@H](C)CN1CCCCC1 ZINC000185057719 329265140 /nfs/dbraw/zinc/26/51/40/329265140.db2.gz CUCOKAAENYAQKO-CQSZACIVSA-N 0 3 250.386 2.171 20 30 CEEDHN CC(C)[C@@H]1C[C@H](CNC[C@H](C#N)CCC#N)CCO1 ZINC000582954298 329293416 /nfs/dbraw/zinc/29/34/16/329293416.db2.gz LZIGZTVOGYGNJC-ILXRZTDVSA-N 0 3 263.385 2.471 20 30 CEEDHN C[C@H](NC[C@H](O)CN(C)CCC#N)c1ccccc1Cl ZINC000584464810 329495778 /nfs/dbraw/zinc/49/57/78/329495778.db2.gz JHQJSULJYQGJHK-STQMWFEESA-N 0 3 295.814 2.197 20 30 CEEDHN C=C(C)CN(CC)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418647811 329538258 /nfs/dbraw/zinc/53/82/58/329538258.db2.gz YRGGFACGSWYVIL-MRXNPFEDSA-N 0 3 287.407 2.481 20 30 CEEDHN C=CCNC(=O)NC[C@@H](C(C)C)N(CC=C)CC=C ZINC000124160516 329567190 /nfs/dbraw/zinc/56/71/90/329567190.db2.gz QZBSHGUKADAUBR-AWEZNQCLSA-N 0 3 265.401 2.170 20 30 CEEDHN C[C@H](C[C@H]1COCCN1)N[C@@H](CCC#N)c1ccccc1 ZINC000422994475 330163238 /nfs/dbraw/zinc/16/32/38/330163238.db2.gz HUGTWPZWBDYCJJ-PVAVHDDUSA-N 0 3 287.407 2.388 20 30 CEEDHN C=C(CN[C@@H](C1CC1)[C@@H]1CNCCO1)c1ccccc1 ZINC000423025121 330165892 /nfs/dbraw/zinc/16/58/92/330165892.db2.gz KQUPECHIFASLCG-IRXDYDNUSA-N 0 3 272.392 2.056 20 30 CEEDHN C=CCCC(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000424043678 330218043 /nfs/dbraw/zinc/21/80/43/330218043.db2.gz ZGUKJLVIJSDEJU-GXTWGEPZSA-N 0 3 262.328 2.045 20 30 CEEDHN C[C@H](CCc1ccccc1)NC(=O)[C@@H](N)CCCC#N ZINC000424073706 330220435 /nfs/dbraw/zinc/22/04/35/330220435.db2.gz FYZPAGMPWWYJFE-HIFRSBDPSA-N 0 3 273.380 2.145 20 30 CEEDHN CSc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424075587 330220759 /nfs/dbraw/zinc/22/07/59/330220759.db2.gz JTQLEQBCZMIBHQ-LBPRGKRZSA-N 0 3 263.366 2.368 20 30 CEEDHN COc1ccc([C@@H](C)N(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000424077268 330221127 /nfs/dbraw/zinc/22/11/27/330221127.db2.gz BCPWRFFXSJXLFO-IUODEOHRSA-N 0 3 289.379 2.236 20 30 CEEDHN CN(Cc1ccccc1Cl)C(=O)[C@H](N)CCCC#N ZINC000424080704 330221728 /nfs/dbraw/zinc/22/17/28/330221728.db2.gz TZYGQFVYDKIOLG-CYBMUJFWSA-N 0 3 279.771 2.320 20 30 CEEDHN CC(C)C[C@@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424081972 330223516 /nfs/dbraw/zinc/22/35/16/330223516.db2.gz AWANTHIJWUROFL-QWHCGFSZSA-N 0 3 251.374 2.045 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000424086105 330223579 /nfs/dbraw/zinc/22/35/79/330223579.db2.gz PZPKLFDFEIIAPJ-SNVBAGLBSA-N 0 3 271.242 2.064 20 30 CEEDHN CCc1nc2cc(NC(=O)[C@@H](N)CCCC#N)ccc2o1 ZINC000424090656 330225295 /nfs/dbraw/zinc/22/52/95/330225295.db2.gz MNWIQKCOPOWYIG-NSHDSACASA-N 0 3 286.335 2.350 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCCCc2ccccc21 ZINC000424098850 330230445 /nfs/dbraw/zinc/23/04/45/330230445.db2.gz UJJRZJLUGGQSLW-CQSZACIVSA-N 0 3 271.364 2.377 20 30 CEEDHN CN(C(=O)[C@@H](N)CCCC#N)[C@H]1CCc2ccccc2C1 ZINC000424124529 330257140 /nfs/dbraw/zinc/25/71/40/330257140.db2.gz MKJVDJVEZPDKPY-HOTGVXAUSA-N 0 3 285.391 2.023 20 30 CEEDHN Cc1cccc([C@@H](C)CNC(=O)[C@@H](N)CCCC#N)c1 ZINC000424125587 330258736 /nfs/dbraw/zinc/25/87/36/330258736.db2.gz OCZUNFXSAUMMNA-ZFWWWQNUSA-N 0 3 273.380 2.236 20 30 CEEDHN CCCC1(CNC(=O)[C@@H](N)CCCC#N)CCC1 ZINC000424127612 330259566 /nfs/dbraw/zinc/25/95/66/330259566.db2.gz BERFYFUFVOVSEI-LBPRGKRZSA-N 0 3 251.374 2.094 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000424134356 330266563 /nfs/dbraw/zinc/26/65/63/330266563.db2.gz HWYWMHZHFVGMCH-IAGOWNOFSA-N 0 3 299.418 2.489 20 30 CEEDHN CN1C(=O)c2ccccc2[C@@H]1CN[C@H]1CCC[C@H](C#N)C1 ZINC000528006657 330303459 /nfs/dbraw/zinc/30/34/59/330303459.db2.gz YASKQVSFUYKZML-XEZPLFJOSA-N 0 3 283.375 2.485 20 30 CEEDHN CC[C@H](NC(=O)[C@@H](N)CCCC#N)c1nc2ccccc2[nH]1 ZINC000424159018 330305752 /nfs/dbraw/zinc/30/57/52/330305752.db2.gz SAEIWSHJARUJRG-RYUDHWBXSA-N 0 3 299.378 2.151 20 30 CEEDHN CC1(C)CCC(CNC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424172017 330311890 /nfs/dbraw/zinc/31/18/90/330311890.db2.gz MTMGTUSQNSUTFL-ZDUSSCGKSA-N 0 3 265.401 2.340 20 30 CEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1cccc(F)c1F ZINC000424172992 330313323 /nfs/dbraw/zinc/31/33/23/330313323.db2.gz MLJJRPLKSZKBSA-JOYOIKCWSA-N 0 3 281.306 2.163 20 30 CEEDHN CN(CC1(c2ccccc2)CC1)C(=O)[C@H](N)CCCC#N ZINC000424177932 330317685 /nfs/dbraw/zinc/31/76/85/330317685.db2.gz VMEKXFDSAVZGPZ-OAHLLOKOSA-N 0 3 285.391 2.198 20 30 CEEDHN Cc1c(NC(=O)[C@@H](N)CCCC#N)cnn1CCC(C)C ZINC000424178104 330317787 /nfs/dbraw/zinc/31/77/87/330317787.db2.gz VWLMBWNOIQBGLC-ZDUSSCGKSA-N 0 3 291.399 2.197 20 30 CEEDHN CC[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)CCCC#N ZINC000424180686 330318930 /nfs/dbraw/zinc/31/89/30/330318930.db2.gz OYOOVZBFIAXHQF-HOTGVXAUSA-N 0 3 285.391 2.371 20 30 CEEDHN CC[C@@H]1Cc2ccccc2CN1C(=O)[C@H](N)CCCC#N ZINC000424180687 330319052 /nfs/dbraw/zinc/31/90/52/330319052.db2.gz OYOOVZBFIAXHQF-HZPDHXFCSA-N 0 3 285.391 2.371 20 30 CEEDHN CC(C)[C@@H](C)N(C(=O)[C@H](N)CCCC#N)C1CC1 ZINC000424192503 330323824 /nfs/dbraw/zinc/32/38/24/330323824.db2.gz PBJXGYAHBAPZOI-DGCLKSJQSA-N 0 3 251.374 2.043 20 30 CEEDHN C=CCNC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000120557113 330389444 /nfs/dbraw/zinc/38/94/44/330389444.db2.gz YZCLCKRJZWUYTM-UHFFFAOYSA-N 0 3 289.423 2.378 20 30 CEEDHN COC(=O)C[C@@](C)(NCCCCC#N)c1ccccn1 ZINC000429672486 330551800 /nfs/dbraw/zinc/55/18/00/330551800.db2.gz NUUFKXUPFYHJPW-OAHLLOKOSA-N 0 3 275.352 2.143 20 30 CEEDHN N#CCC1(CNCc2ccc(-n3cncn3)cc2)CC1 ZINC000430025808 330557509 /nfs/dbraw/zinc/55/75/09/330557509.db2.gz YBMMFISLXOXCHU-UHFFFAOYSA-N 0 3 267.336 2.051 20 30 CEEDHN C=CCN1CC[C@@H](N(C)CC23CCC(CC2)C3)C1=O ZINC000450904075 331006148 /nfs/dbraw/zinc/00/61/48/331006148.db2.gz MKHNUIXLZLRRCN-NPCAHTBFSA-N 0 3 262.397 2.285 20 30 CEEDHN N#CCc1ccc(C[NH+]2CCC(c3n[n-]c(=O)o3)CC2)cc1 ZINC000450919627 331007232 /nfs/dbraw/zinc/00/72/32/331007232.db2.gz PSBVMZPGQBRZCC-UHFFFAOYSA-N 0 3 298.346 2.221 20 30 CEEDHN CC1(C)[C@H](NCC#Cc2ccccc2)[C@@H]2CCO[C@H]21 ZINC000451468088 331030652 /nfs/dbraw/zinc/03/06/52/331030652.db2.gz JSZKBFIIDVQXOO-ARFHVFGLSA-N 0 3 255.361 2.441 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000451608719 331036594 /nfs/dbraw/zinc/03/65/94/331036594.db2.gz TYYYCUMQFSWPIB-GDLCADMTSA-N 0 3 278.327 2.086 20 30 CEEDHN C=CCC[C@H](O)CN1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451868345 331045495 /nfs/dbraw/zinc/04/54/95/331045495.db2.gz DNBSVNKYERHKBG-OLZOCXBDSA-N 0 3 294.361 2.130 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452048920 331052151 /nfs/dbraw/zinc/05/21/51/331052151.db2.gz RMTFCVXQAOYISY-CEEVZKBLSA-N 0 3 289.423 2.115 20 30 CEEDHN C=CC(C)(C)CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000452778751 331077156 /nfs/dbraw/zinc/07/71/56/331077156.db2.gz YUQQFBQIFPDXST-ZDUSSCGKSA-N 0 3 250.386 2.189 20 30 CEEDHN C=C(CC)CN[C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000453368188 331123560 /nfs/dbraw/zinc/12/35/60/331123560.db2.gz QCNPAEPXBCWKSU-GFCCVEGCSA-N 0 3 257.341 2.279 20 30 CEEDHN C=CCn1c(C2CC2)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453444487 331132074 /nfs/dbraw/zinc/13/20/74/331132074.db2.gz NDJSZAJTNZGXEJ-CQSZACIVSA-N 0 3 289.427 2.260 20 30 CEEDHN C=CCNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000454147322 331139777 /nfs/dbraw/zinc/13/97/77/331139777.db2.gz OFGLAFLHQCSCAY-OAHLLOKOSA-N 0 3 287.407 2.336 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](CCC)OC)CC1 ZINC000454457119 331146610 /nfs/dbraw/zinc/14/66/10/331146610.db2.gz DKFKMIKGSPMITI-HNNXBMFYSA-N 0 3 297.443 2.141 20 30 CEEDHN CC1(C)COC[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000456536730 331195225 /nfs/dbraw/zinc/19/52/25/331195225.db2.gz JATKMYJEPOCTLT-CABCVRRESA-N 0 3 286.375 2.300 20 30 CEEDHN C=C(CC)CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000457478066 331224221 /nfs/dbraw/zinc/22/42/21/331224221.db2.gz JBTNBHGWUPTCCQ-MRXNPFEDSA-N 0 3 289.423 2.425 20 30 CEEDHN CN(C)Cc1ccc(C(=O)NCC(C)(C)CC#N)cc1 ZINC000457990979 331239391 /nfs/dbraw/zinc/23/93/91/331239391.db2.gz QSIGXNUTZPPONR-UHFFFAOYSA-N 0 3 273.380 2.418 20 30 CEEDHN C=C[C@](C)(O)CC(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458264516 331246701 /nfs/dbraw/zinc/24/67/01/331246701.db2.gz MJVZJNQOGLEWBG-INIZCTEOSA-N 0 3 276.380 2.322 20 30 CEEDHN C=C[C@@](C)(O)CC(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458264517 331246733 /nfs/dbraw/zinc/24/67/33/331246733.db2.gz MJVZJNQOGLEWBG-MRXNPFEDSA-N 0 3 276.380 2.322 20 30 CEEDHN C=C(CC)CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000459084532 331269682 /nfs/dbraw/zinc/26/96/82/331269682.db2.gz ULFYGBPTKJNFSO-OLZOCXBDSA-N 0 3 253.390 2.077 20 30 CEEDHN COC(=O)CC1(NCC#Cc2ccccc2)CCC1 ZINC000459385180 331279373 /nfs/dbraw/zinc/27/93/73/331279373.db2.gz GATTWDSQZNGUNL-UHFFFAOYSA-N 0 3 257.333 2.114 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000469376271 331450427 /nfs/dbraw/zinc/45/04/27/331450427.db2.gz BBHKPFLFJKCWFY-CAOSSQGBSA-N 0 3 294.439 2.347 20 30 CEEDHN C=C(CNC(=O)Cc1nc[nH]c1C)c1ccccc1 ZINC000488895377 332032408 /nfs/dbraw/zinc/03/24/08/332032408.db2.gz HTVFHXRVDUAWKC-UHFFFAOYSA-N 0 3 255.321 2.090 20 30 CEEDHN C=C(CC)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489009069 332037534 /nfs/dbraw/zinc/03/75/34/332037534.db2.gz KKYAFAJLRAOMPW-UHFFFAOYSA-N 0 3 264.329 2.394 20 30 CEEDHN C=CCCCS(=O)(=O)NCCN1CCCC[C@@H]1CC ZINC000489406215 332050539 /nfs/dbraw/zinc/05/05/39/332050539.db2.gz OMGBWBAVRKXZLP-AWEZNQCLSA-N 0 3 288.457 2.137 20 30 CEEDHN C=CCCCS(=O)(=O)N(C)[C@H]1CCN(CC)[C@H](C)C1 ZINC000489507149 332057392 /nfs/dbraw/zinc/05/73/92/332057392.db2.gz IBILPBRQZIUBCG-KGLIPLIRSA-N 0 3 288.457 2.087 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](C)CCC(C)C)CC1 ZINC000490575154 332092900 /nfs/dbraw/zinc/09/29/00/332092900.db2.gz MODRCWZTGQJKTP-AWEZNQCLSA-N 0 3 264.413 2.273 20 30 CEEDHN C#CCN1CCC(C(=O)NCC2(C)CCCC2)CC1 ZINC000490638506 332099209 /nfs/dbraw/zinc/09/92/09/332099209.db2.gz XFPNDOFVKGXBPD-UHFFFAOYSA-N 0 3 262.397 2.028 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC(F)(F)C2)CC1 ZINC000490803461 332116860 /nfs/dbraw/zinc/11/68/60/332116860.db2.gz NLLNRNVPKKJRMN-CYBMUJFWSA-N 0 3 284.350 2.026 20 30 CEEDHN C#CCN(Cc1ccc(-n2cccn2)cc1)C1CC1 ZINC000491147750 332156663 /nfs/dbraw/zinc/15/66/63/332156663.db2.gz STIOINQIFJARNV-UHFFFAOYSA-N 0 3 251.333 2.470 20 30 CEEDHN C#CCNC(=O)C1CCN(Cc2cccc(CC)c2)CC1 ZINC000491156389 332158575 /nfs/dbraw/zinc/15/85/75/332158575.db2.gz ZUXYSZWVWCELDP-UHFFFAOYSA-N 0 3 284.403 2.210 20 30 CEEDHN C#CCNC(=O)CCN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000491209152 332166020 /nfs/dbraw/zinc/16/60/20/332166020.db2.gz CHPHRSPSHFNJGM-CQSZACIVSA-N 0 3 290.794 2.269 20 30 CEEDHN C#C[C@H](CC)NCc1cn(CCC#N)nc1-c1ccncc1 ZINC000491338774 332192739 /nfs/dbraw/zinc/19/27/39/332192739.db2.gz LEYPSGIBGLLIBU-MRXNPFEDSA-N 0 3 293.374 2.360 20 30 CEEDHN C#CCNC(=O)[C@H](C)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000491427695 332209805 /nfs/dbraw/zinc/20/98/05/332209805.db2.gz LQJUXLIBENQPNO-RDJZCZTQSA-N 0 3 296.414 2.394 20 30 CEEDHN C#CCN(CC[C@H]1CCNC1=O)[C@H]1CCc2ccccc21 ZINC000491450949 332213427 /nfs/dbraw/zinc/21/34/27/332213427.db2.gz CRGBDUVBXLEVSZ-WBVHZDCISA-N 0 3 282.387 2.135 20 30 CEEDHN C#CCN(C)CCCNc1ncnc2scc(C)c21 ZINC000491495800 332222904 /nfs/dbraw/zinc/22/29/04/332222904.db2.gz LWYCPAJDTURSQH-UHFFFAOYSA-N 0 3 274.393 2.367 20 30 CEEDHN C#CCN(C)CCCNC(=O)C1(CC=C)CCCC1 ZINC000491507759 332225816 /nfs/dbraw/zinc/22/58/16/332225816.db2.gz WWDPZUHBASMSAR-UHFFFAOYSA-N 0 3 262.397 2.194 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC000491554222 332236521 /nfs/dbraw/zinc/23/65/21/332236521.db2.gz HGCYBMGHIAAVED-RDJZCZTQSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H](CC)[C@H]2CC2(C)C)CC1 ZINC000491638072 332258736 /nfs/dbraw/zinc/25/87/36/332258736.db2.gz XWBJZTXNOQVWGS-CABCVRRESA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCc1cc2ccccc2o1 ZINC000491680397 332284156 /nfs/dbraw/zinc/28/41/56/332284156.db2.gz ZRUSJBLGTLLYCU-UHFFFAOYSA-N 0 3 299.374 2.187 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000491682881 332285696 /nfs/dbraw/zinc/28/56/96/332285696.db2.gz VJRSTLBEGGAXEG-YOEHRIQHSA-N 0 3 299.418 2.174 20 30 CEEDHN C#CCN(C)CCCNC(=O)/C=C/C1CCCCC1 ZINC000491699191 332294088 /nfs/dbraw/zinc/29/40/88/332294088.db2.gz UHIXHGVROISWAB-ZHACJKMWSA-N 0 3 262.397 2.194 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000491710985 332302737 /nfs/dbraw/zinc/30/27/37/332302737.db2.gz SNPNXZRKSBIJDH-ZOBUZTSGSA-N 0 3 299.418 2.170 20 30 CEEDHN C#CCN(C(=O)NC[C@H](N)c1ccccc1)C1CCCC1 ZINC000491735649 332316102 /nfs/dbraw/zinc/31/61/02/332316102.db2.gz FYRHTYZNFKHHMR-INIZCTEOSA-N 0 3 285.391 2.274 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000491757842 332330276 /nfs/dbraw/zinc/33/02/76/332330276.db2.gz GABHTPPZLFRZDN-GDBMZVCRSA-N 0 3 287.407 2.261 20 30 CEEDHN C#CCN(CC)C[C@H](O)COc1ccc(SC)cc1 ZINC000491801172 332355489 /nfs/dbraw/zinc/35/54/89/332355489.db2.gz BSAJUQIIHONQQL-ZDUSSCGKSA-N 0 3 279.405 2.103 20 30 CEEDHN C=CCOCCCN1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000492201137 332386908 /nfs/dbraw/zinc/38/69/08/332386908.db2.gz OBNSUTFKBSOFJI-KGLIPLIRSA-N 0 3 298.427 2.424 20 30 CEEDHN CN(C)C/C=C\C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000492239842 332388749 /nfs/dbraw/zinc/38/87/49/332388749.db2.gz QZGVJEZZOUSPSE-OCOPJHETSA-N 0 3 271.364 2.265 20 30 CEEDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NCCC#N)C1 ZINC000497007594 332567131 /nfs/dbraw/zinc/56/71/31/332567131.db2.gz JMHNLIIJCKSQNM-NWDGAFQWSA-N 0 3 267.373 2.183 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC000177348538 333057683 /nfs/dbraw/zinc/05/76/83/333057683.db2.gz KMLCWMBENXKFOZ-DZGCQCFKSA-N 0 3 250.386 2.189 20 30 CEEDHN C#CCN1CCC(C(=O)NCC(C)(C)C(C)C)CC1 ZINC000189435126 333192743 /nfs/dbraw/zinc/19/27/43/333192743.db2.gz KULAJYKCQZRRLG-UHFFFAOYSA-N 0 3 264.413 2.130 20 30 CEEDHN C#CCNC(=O)[C@H](C)N[C@@H](CC)c1ccc(C)cc1 ZINC000192586427 333236535 /nfs/dbraw/zinc/23/65/35/333236535.db2.gz OCQPTXWGNIPHJL-ZFWWWQNUSA-N 0 3 258.365 2.174 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@H]2CCCC[C@H]2C)CC1 ZINC000194409734 333270852 /nfs/dbraw/zinc/27/08/52/333270852.db2.gz USMSWZLVRCFAMF-GDBMZVCRSA-N 0 3 276.424 2.274 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@@H](O)[C@@H](C)C2)c1 ZINC000250130209 333302766 /nfs/dbraw/zinc/30/27/66/333302766.db2.gz WYAKEISYWUVWDC-XJKSGUPXSA-N 0 3 261.365 2.454 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000133874201 334066897 /nfs/dbraw/zinc/06/68/97/334066897.db2.gz LBKGZBYLFHVODC-QWHCGFSZSA-N 0 3 266.385 2.245 20 30 CEEDHN N#CC1(C(=O)N2CCC[C@H](N3CCCCC3)C2)CCC1 ZINC000134878154 334106821 /nfs/dbraw/zinc/10/68/21/334106821.db2.gz IHKIXCODBVVWRQ-AWEZNQCLSA-N 0 3 275.396 2.157 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N(CC)C[C@H]1CCCN1CC ZINC000547797789 334119586 /nfs/dbraw/zinc/11/95/86/334119586.db2.gz FJOHAXJYWSXKNV-LSDHHAIUSA-N 0 3 282.428 2.300 20 30 CEEDHN C=C(C)CN(CC)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000079270177 334151200 /nfs/dbraw/zinc/15/12/00/334151200.db2.gz ARMVRNFXLLJWHJ-CQSZACIVSA-N 0 3 267.417 2.326 20 30 CEEDHN CC(C)C[C@@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000080643513 334172756 /nfs/dbraw/zinc/17/27/56/334172756.db2.gz WQWRRAWSNMAFSF-BBRMVZONSA-N 0 3 277.412 2.163 20 30 CEEDHN C[C@@H]1C[C@@H]1[C@@H](NCC(=O)NCC#N)c1ccc(Cl)cc1 ZINC000245834851 334221027 /nfs/dbraw/zinc/22/10/27/334221027.db2.gz CHZLYJNQGASIQN-DGFSRKRXSA-N 0 3 291.782 2.266 20 30 CEEDHN C=CCN(CC=C)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000249518580 334335428 /nfs/dbraw/zinc/33/54/28/334335428.db2.gz IVQYNEILOWVNHM-LSDHHAIUSA-N 0 3 279.428 2.490 20 30 CEEDHN COc1ccccc1N1CCC(NCCC#N)CC1 ZINC000566110079 334623782 /nfs/dbraw/zinc/62/37/82/334623782.db2.gz WTVNRPUDGWWBTQ-UHFFFAOYSA-N 0 3 259.353 2.167 20 30 CEEDHN Cc1cccc(C)c1[C@@H](C)NC[C@@H](O)CN(C)CCC#N ZINC000567710655 334754269 /nfs/dbraw/zinc/75/42/69/334754269.db2.gz PBQKJHIAODIJBZ-HZPDHXFCSA-N 0 3 289.423 2.160 20 30 CEEDHN C#CCOc1ccccc1CNC[C@H]1CCC=CO1 ZINC000275771131 334794593 /nfs/dbraw/zinc/79/45/93/334794593.db2.gz HDUFOYFSLHKZKN-OAHLLOKOSA-N 0 3 257.333 2.481 20 30 CEEDHN CN(C)[C@H](CNC[C@H](C#N)CCC#N)Cc1ccccc1 ZINC000577484147 335357302 /nfs/dbraw/zinc/35/73/02/335357302.db2.gz GLOAQSZGJFWWPE-IRXDYDNUSA-N 0 3 284.407 2.192 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1c(F)cccc1Cl ZINC000381381596 336061125 /nfs/dbraw/zinc/06/11/25/336061125.db2.gz KUIZFUBXTQBAOP-UHFFFAOYSA-N 0 3 282.746 2.164 20 30 CEEDHN C#CCCOc1ccc(CN[C@H](CO)CC=C)cc1 ZINC000184264707 518250880 /nfs/dbraw/zinc/25/08/80/518250880.db2.gz RACUICUWNRWRCB-HNNXBMFYSA-N 0 3 259.349 2.115 20 30 CEEDHN C=CCN1CCC(N[C@H](c2nccn2C)C2CC2)CC1 ZINC000183272286 518858896 /nfs/dbraw/zinc/85/88/96/518858896.db2.gz KEGNOCBJRXWACN-HNNXBMFYSA-N 0 3 274.412 2.111 20 30 CEEDHN C=CC[C@H](CO)NCc1cc(OC)c(OCC)c(OC)c1 ZINC000184273185 519117056 /nfs/dbraw/zinc/11/70/56/519117056.db2.gz NWULFXIVCYGKQO-CYBMUJFWSA-N 0 3 295.379 2.129 20 30 CEEDHN C=CC[C@H](CO)NCc1cccc2c1OC(C)(C)C2 ZINC000184274826 519119599 /nfs/dbraw/zinc/11/95/99/519119599.db2.gz ZUYNHOJMVCDWFM-CQSZACIVSA-N 0 3 261.365 2.427 20 30 CEEDHN CCCN(C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000069091709 521513708 /nfs/dbraw/zinc/51/37/08/521513708.db2.gz UCPKSALZNDBHMT-AWEZNQCLSA-N 0 3 257.337 2.005 20 30 CEEDHN N#CCCCNCc1cnn(-c2ccc(F)cc2)c1 ZINC000344328291 534614027 /nfs/dbraw/zinc/61/40/27/534614027.db2.gz LFPQZDULXPALMS-UHFFFAOYSA-N 0 3 258.300 2.405 20 30 CEEDHN CC[C@H](C)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000055066316 523957177 /nfs/dbraw/zinc/95/71/77/523957177.db2.gz OTCUPYSTSAIGNZ-AWEZNQCLSA-N 0 3 257.381 2.474 20 30 CEEDHN C[C@H](NCCN1CCOCC1(C)C)c1cccc(C#N)c1 ZINC000181679334 525352082 /nfs/dbraw/zinc/35/20/82/525352082.db2.gz HHPZKFFSAXFKGF-AWEZNQCLSA-N 0 3 287.407 2.320 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000061627114 526235156 /nfs/dbraw/zinc/23/51/56/526235156.db2.gz XLSSBLOOWHNWBX-QMMMGPOBSA-N 0 3 256.227 2.481 20 30 CEEDHN C=CCN1CCC(NC(=O)NCCSC(C)C)CC1 ZINC000345033084 526434264 /nfs/dbraw/zinc/43/42/64/526434264.db2.gz YJYLXDMYRZRKBM-UHFFFAOYSA-N 0 3 285.457 2.078 20 30 CEEDHN C=C(C)CN(C)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000352134321 526487087 /nfs/dbraw/zinc/48/70/87/526487087.db2.gz OEEALCMTHCRJLT-UHFFFAOYSA-N 0 3 297.443 2.093 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@](CO)(CCC)C1 ZINC000344236400 526543415 /nfs/dbraw/zinc/54/34/15/526543415.db2.gz MLKBJCALDVUUHE-RDJZCZTQSA-N 0 3 296.455 2.284 20 30 CEEDHN Cc1noc(CCN[C@H](C)c2ccc(C#N)cc2)n1 ZINC000181927301 526611286 /nfs/dbraw/zinc/61/12/86/526611286.db2.gz CLBBJYLSHCSFAM-SNVBAGLBSA-N 0 3 256.309 2.143 20 30 CEEDHN N#Cc1cccc(CN[C@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000067504244 526709217 /nfs/dbraw/zinc/70/92/17/526709217.db2.gz KYHPUNXFQHMDRL-HNNXBMFYSA-N 0 3 279.343 2.414 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000347311199 526763130 /nfs/dbraw/zinc/76/31/30/526763130.db2.gz LRBBYEDHPVSNHX-PMPSAXMXSA-N 0 3 292.423 2.101 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(F)ncc1F ZINC000296965793 526781708 /nfs/dbraw/zinc/78/17/08/526781708.db2.gz UOJFBHAJGIUHAC-YGRLFVJLSA-N 0 3 268.307 2.431 20 30 CEEDHN CCCN(C)CC(=O)N(CCC#N)CC(C)(C)C ZINC000344521305 527814830 /nfs/dbraw/zinc/81/48/30/527814830.db2.gz PAFBONUUWXVAED-UHFFFAOYSA-N 0 3 253.390 2.117 20 30 CEEDHN CCC[N@@H+]1CCC[C@H]1CNC(=O)c1csc(=O)[n-]1 ZINC000329218595 528233734 /nfs/dbraw/zinc/23/37/34/528233734.db2.gz RWHMNDZWZXUQCZ-VIFPVBQESA-N 0 3 269.370 2.028 20 30 CEEDHN CCC[N@H+]1CCC[C@H]1CNC(=O)c1csc(=O)[n-]1 ZINC000329218595 528233736 /nfs/dbraw/zinc/23/37/36/528233736.db2.gz RWHMNDZWZXUQCZ-VIFPVBQESA-N 0 3 269.370 2.028 20 30 CEEDHN CC(C)[C@@H]1CCCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000347074864 528667094 /nfs/dbraw/zinc/66/70/94/528667094.db2.gz LCHVPFSABXEZTO-CQSZACIVSA-N 0 3 277.412 2.307 20 30 CEEDHN CC1(C)CCCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000332051372 528929436 /nfs/dbraw/zinc/92/94/36/528929436.db2.gz WCSRFJTVDLVXTP-LBPRGKRZSA-N 0 3 251.374 2.046 20 30 CEEDHN CCN1CCCN(C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000334988471 529032413 /nfs/dbraw/zinc/03/24/13/529032413.db2.gz YSIBELKWYKHZDU-UHFFFAOYSA-N 0 3 286.379 2.312 20 30 CEEDHN CC[C@](C)(C#N)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000354851135 529350944 /nfs/dbraw/zinc/35/09/44/529350944.db2.gz OZHZKPKPQMCGJM-DZGCQCFKSA-N 0 3 265.401 2.307 20 30 CEEDHN Cn1cc(CC(=O)C(C#N)c2nc3ccccc3s2)cn1 ZINC000726318762 574425505 /nfs/dbraw/zinc/42/55/05/574425505.db2.gz QEHQNWAIBHNGEY-LLVKDONJSA-N 0 3 296.355 2.449 20 30 CEEDHN C=C(C)COc1cc(CN[C@H]2CCN(C)C2)ccc1OC ZINC000729681651 574490794 /nfs/dbraw/zinc/49/07/94/574490794.db2.gz GZXHAEIVHBJXLG-HNNXBMFYSA-N 0 3 290.407 2.444 20 30 CEEDHN C#Cc1cccc(NC(=S)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000730956375 574585237 /nfs/dbraw/zinc/58/52/37/574585237.db2.gz ARVIFFQQRDXMQU-INIZCTEOSA-N 0 3 299.443 2.439 20 30 CEEDHN C#CCOc1ccc(CNCc2cccc(CO)c2)cc1 ZINC000733328320 574664528 /nfs/dbraw/zinc/66/45/28/574664528.db2.gz OKWYOJYLTVQPQT-UHFFFAOYSA-N 0 3 281.355 2.481 20 30 CEEDHN C#Cc1cccc(NC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000741751288 574673080 /nfs/dbraw/zinc/67/30/80/574673080.db2.gz CBDXOKCDTSTHRU-SWLSCSKDSA-N 0 3 271.364 2.272 20 30 CEEDHN C[C@H]1CC(=NN2CCOCC2)CCN1Cc1ccccc1 ZINC000734296085 574706990 /nfs/dbraw/zinc/70/69/90/574706990.db2.gz NHDAMZMCSKUBSQ-HNNXBMFYSA-N 0 3 287.407 2.359 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)n1cccc1 ZINC000735208207 574747778 /nfs/dbraw/zinc/74/77/78/574747778.db2.gz KRMWZBRBNJYWOF-KBPBESRZSA-N 0 3 289.379 2.454 20 30 CEEDHN C=CC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735409123 574757310 /nfs/dbraw/zinc/75/73/10/574757310.db2.gz BTXCCMRQMCIFBN-UHFFFAOYSA-N 0 3 269.352 2.265 20 30 CEEDHN C=CC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735409123 574757312 /nfs/dbraw/zinc/75/73/12/574757312.db2.gz BTXCCMRQMCIFBN-UHFFFAOYSA-N 0 3 269.352 2.265 20 30 CEEDHN CCCCCCN(C)CC(=O)N[C@@H](C#N)CCC ZINC000735653641 574763904 /nfs/dbraw/zinc/76/39/04/574763904.db2.gz QWNOMABXXUKCQJ-CYBMUJFWSA-N 0 3 253.390 2.307 20 30 CEEDHN Cc1ccc(N2CCCN(C(=O)C(C)C#N)CC2)cc1 ZINC000736673106 574794349 /nfs/dbraw/zinc/79/43/49/574794349.db2.gz OQANIXSTCVXYSB-CQSZACIVSA-N 0 3 271.364 2.193 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCOC2)c1 ZINC000740529469 574957975 /nfs/dbraw/zinc/95/79/75/574957975.db2.gz PUMQLFSJJFYRBW-JSGCOSHPSA-N 0 3 286.331 2.069 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000740942878 574971763 /nfs/dbraw/zinc/97/17/63/574971763.db2.gz BTJXVEKIACHLAI-OIBJUYFYSA-N 0 3 287.146 2.303 20 30 CEEDHN C[C@H](C#N)OC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000741327662 574982172 /nfs/dbraw/zinc/98/21/72/574982172.db2.gz OUQFGNDRPLVHNF-UKRRQHHQSA-N 0 3 272.348 2.354 20 30 CEEDHN C[C@@H]1CC(N=Nc2ccc(Cl)nn2)CCN1C ZINC000741453828 574987642 /nfs/dbraw/zinc/98/76/42/574987642.db2.gz WMBTYZBPXZWLMZ-MRVPVSSYSA-N 0 3 253.737 2.012 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccccc2C#N)CCN1C ZINC000741722224 574995368 /nfs/dbraw/zinc/99/53/68/574995368.db2.gz DUHNTAVMCMQRSX-XURSXEJRSA-N 0 3 283.375 2.170 20 30 CEEDHN C[C@@H]1CCCN1CCNC(=O)Nc1cccc(C#N)c1 ZINC000743813511 575110036 /nfs/dbraw/zinc/11/00/36/575110036.db2.gz RQFDFFWCTKPYAG-GFCCVEGCSA-N 0 3 272.352 2.164 20 30 CEEDHN CNC(=O)C(C#N)C(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000744036277 575112320 /nfs/dbraw/zinc/11/23/20/575112320.db2.gz XSISOKLQSMZXBT-WPRPVWTQSA-N 0 3 298.264 2.264 20 30 CEEDHN N#CC(C(=O)C=CC1CC1)C(=O)Nc1ccccc1 ZINC000744027876 575112365 /nfs/dbraw/zinc/11/23/65/575112365.db2.gz BZXNVIKLBNYALF-YXVBKTCISA-N 0 3 254.289 2.300 20 30 CEEDHN C#Cc1cccc(NC(=S)NCCN2CC[C@@H](C)C2)c1 ZINC000745180438 575134775 /nfs/dbraw/zinc/13/47/75/575134775.db2.gz BNJMVVDQRQRDFU-CYBMUJFWSA-N 0 3 287.432 2.296 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000747837280 575175732 /nfs/dbraw/zinc/17/57/32/575175732.db2.gz FURLQCRBLAHDMV-SJLPKXTDSA-N 0 3 298.430 2.387 20 30 CEEDHN C#CCN(CC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000749155387 575207697 /nfs/dbraw/zinc/20/76/97/575207697.db2.gz QQSFTBFQBAFZCY-GFCCVEGCSA-N 0 3 297.383 2.428 20 30 CEEDHN CN1CCN(N=C2CCCC[C@@H]2N2CCCCCC2)CC1 ZINC000749808027 575234682 /nfs/dbraw/zinc/23/46/82/575234682.db2.gz SIXUPQVBPLVBIP-KRWDZBQOSA-N 0 3 292.471 2.408 20 30 CEEDHN C#CCCN1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000751148533 575283434 /nfs/dbraw/zinc/28/34/34/575283434.db2.gz WEFPTKCSQSJNCZ-UHFFFAOYSA-N 0 3 296.374 2.167 20 30 CEEDHN C[C@@H]([NH2+]CCCCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820418490 599372555 /nfs/dbraw/zinc/37/25/55/599372555.db2.gz BDJCPFXXXWVPLH-LLVKDONJSA-N 0 3 270.340 2.211 20 30 CEEDHN C[C@@H]([NH2+]CCCCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820418490 599372556 /nfs/dbraw/zinc/37/25/56/599372556.db2.gz BDJCPFXXXWVPLH-LLVKDONJSA-N 0 3 270.340 2.211 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H](C)C(C)(C)C)CC1 ZINC000981451730 613004690 /nfs/dbraw/zinc/00/46/90/613004690.db2.gz VWPOMOHBRSYSPY-AWEZNQCLSA-N 0 3 264.413 2.226 20 30 CEEDHN C#CCC[N@@H+](CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819692414 606956503 /nfs/dbraw/zinc/95/65/03/606956503.db2.gz FMCMDAYEPMAPOL-LBPRGKRZSA-N 0 3 269.352 2.273 20 30 CEEDHN C#CCC[N@H+](CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819692414 606956504 /nfs/dbraw/zinc/95/65/04/606956504.db2.gz FMCMDAYEPMAPOL-LBPRGKRZSA-N 0 3 269.352 2.273 20 30 CEEDHN C#CCC[N@@H+](CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819692414 606956506 /nfs/dbraw/zinc/95/65/06/606956506.db2.gz FMCMDAYEPMAPOL-LBPRGKRZSA-N 0 3 269.352 2.273 20 30 CEEDHN C#CCC[N@H+](CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819692414 606956507 /nfs/dbraw/zinc/95/65/07/606956507.db2.gz FMCMDAYEPMAPOL-LBPRGKRZSA-N 0 3 269.352 2.273 20 30 CEEDHN C#CC[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC000819702276 606979739 /nfs/dbraw/zinc/97/97/39/606979739.db2.gz WLKBYNNMDADLOS-UHFFFAOYSA-N 0 3 299.353 2.384 20 30 CEEDHN C#CC[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC000819702276 606979740 /nfs/dbraw/zinc/97/97/40/606979740.db2.gz WLKBYNNMDADLOS-UHFFFAOYSA-N 0 3 299.353 2.384 20 30 CEEDHN C=CC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000823888073 608393138 /nfs/dbraw/zinc/39/31/38/608393138.db2.gz FCYSZBSMSLIBID-UHFFFAOYSA-N 0 3 287.342 2.404 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC000970150281 612962213 /nfs/dbraw/zinc/96/22/13/612962213.db2.gz ZESCWVYJXMYHIW-DLBZAZTESA-N 0 3 284.403 2.079 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC000970105736 612964471 /nfs/dbraw/zinc/96/44/71/612964471.db2.gz SHXYHPPDQPWACB-CYBMUJFWSA-N 0 3 288.391 2.323 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc3nc(C)sc3c2)C1 ZINC000970405888 612966227 /nfs/dbraw/zinc/96/62/27/612966227.db2.gz KBRLYJJNMGDCMM-CYBMUJFWSA-N 0 3 299.399 2.042 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2c[nH]c3ccccc23)C1 ZINC000970080838 612994779 /nfs/dbraw/zinc/99/47/79/612994779.db2.gz YZPCHWCCDJSRRJ-CYBMUJFWSA-N 0 3 295.386 2.241 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(C)cc2C)C1 ZINC000970823583 612997630 /nfs/dbraw/zinc/99/76/30/612997630.db2.gz BAWCXIMNYZWCNR-HNNXBMFYSA-N 0 3 284.403 2.377 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccoc2C2CC2)C1 ZINC000970331975 612998311 /nfs/dbraw/zinc/99/83/11/612998311.db2.gz PQHSEJXBLHKJSU-LBPRGKRZSA-N 0 3 286.375 2.230 20 30 CEEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1nccs1 ZINC000969088059 613001981 /nfs/dbraw/zinc/00/19/81/613001981.db2.gz KPFXCIGBYBCHJH-ZDUSSCGKSA-N 0 3 291.420 2.141 20 30 CEEDHN C#CCCN1CCCN(C(=O)CCc2cccc(C)c2)CC1 ZINC000981704279 613002598 /nfs/dbraw/zinc/00/25/98/613002598.db2.gz CAONMRXYHYCCMZ-UHFFFAOYSA-N 0 3 298.430 2.485 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC000965101627 613014159 /nfs/dbraw/zinc/01/41/59/613014159.db2.gz MFLGXGZSJKYCCC-RISCZKNCSA-N 0 3 293.798 2.132 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC000968233401 613014766 /nfs/dbraw/zinc/01/47/66/613014766.db2.gz NFPYHSBFFWIGFR-HUUCEWRRSA-N 0 3 274.408 2.193 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccncc2CC)C1 ZINC000967032557 613025114 /nfs/dbraw/zinc/02/51/14/613025114.db2.gz MZXUUJVAIZSNSV-WMLDXEAASA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C)c(C)n2)C(C)(C)C1 ZINC000974829890 613032422 /nfs/dbraw/zinc/03/24/22/613032422.db2.gz SMHOQKRZSPUGEU-MRXNPFEDSA-N 0 3 299.418 2.162 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2cccc(CC)n2)C(C)(C)C1 ZINC000974677973 613038746 /nfs/dbraw/zinc/03/87/46/613038746.db2.gz YTBAAXFMLFAWFB-INIZCTEOSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cccs2)CC1 ZINC000948160056 613179756 /nfs/dbraw/zinc/17/97/56/613179756.db2.gz UMMMAXCTKYQYGY-ZDUSSCGKSA-N 0 3 276.405 2.308 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C[C@H]1C ZINC000947946549 613229061 /nfs/dbraw/zinc/22/90/61/613229061.db2.gz BHQGRYNHNKGFBL-KLHDSHLOSA-N 0 3 276.424 2.415 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(CF)cc2)[C@@H](C)C1 ZINC000945332769 613235698 /nfs/dbraw/zinc/23/56/98/613235698.db2.gz GHZZSNPGYVPFDX-XJKSGUPXSA-N 0 3 288.366 2.230 20 30 CEEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(F)cc2C)[C@@H](C)C1 ZINC000944242081 613235717 /nfs/dbraw/zinc/23/57/17/613235717.db2.gz RNIOTYUBDPWCGJ-XJKSGUPXSA-N 0 3 288.366 2.208 20 30 CEEDHN C=C(C)CCN1CCCN(C(=O)[C@@H](C)SC)CC1 ZINC000980742314 613253147 /nfs/dbraw/zinc/25/31/47/613253147.db2.gz XSAJGJNKOVKBGU-CYBMUJFWSA-N 0 3 270.442 2.238 20 30 CEEDHN C=C(C)CCN1CCCN(C(=O)[C@H](C)SC)CC1 ZINC000980742315 613254327 /nfs/dbraw/zinc/25/43/27/613254327.db2.gz XSAJGJNKOVKBGU-ZDUSSCGKSA-N 0 3 270.442 2.238 20 30 CEEDHN C=C(C)CCN1CCCN(C(=O)c2ccn(CC)n2)CC1 ZINC000982084314 613254947 /nfs/dbraw/zinc/25/49/47/613254947.db2.gz OGULYBORHURZAO-UHFFFAOYSA-N 0 3 290.411 2.017 20 30 CEEDHN C=C(C)CCN1CCCN(C(=O)c2coc(C)n2)CC1 ZINC000981032884 613255944 /nfs/dbraw/zinc/25/59/44/613255944.db2.gz FSLZNUCRELRIEA-UHFFFAOYSA-N 0 3 277.368 2.097 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000944656403 613259311 /nfs/dbraw/zinc/25/93/11/613259311.db2.gz UIIICMVHDLLTKW-WMZOPIPTSA-N 0 3 298.430 2.306 20 30 CEEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C)c2)C[C@H]1C ZINC000947020823 613270053 /nfs/dbraw/zinc/27/00/53/613270053.db2.gz GJGGFMDNHQONIA-ZBFHGGJFSA-N 0 3 270.376 2.211 20 30 CEEDHN C#CCN1C[C@]2(C)CN(C(=O)C3(CC)CCC3)C[C@]2(C)C1 ZINC000982452610 613292819 /nfs/dbraw/zinc/29/28/19/613292819.db2.gz SEBQUYHAWFIMNT-CALCHBBNSA-N 0 3 288.435 2.370 20 30 CEEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccoc2C)C1 ZINC000969264987 613300756 /nfs/dbraw/zinc/30/07/56/613300756.db2.gz BKDBIPMJLOJIRX-LLVKDONJSA-N 0 3 262.353 2.214 20 30 CEEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2Cc3ccccc32)C1 ZINC000970351405 613302626 /nfs/dbraw/zinc/30/26/26/613302626.db2.gz ILHURGGLNWZUQC-GUYCJALGSA-N 0 3 284.403 2.339 20 30 CEEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccn(CC)c2C)C1 ZINC000970317018 613303696 /nfs/dbraw/zinc/30/36/96/613303696.db2.gz HHJUQEKTJNFQPQ-ZDUSSCGKSA-N 0 3 289.423 2.443 20 30 CEEDHN C=C(C)CN1CCCC2(CN(C(=O)c3nccs3)C2)C1 ZINC000982080955 613306219 /nfs/dbraw/zinc/30/62/19/613306219.db2.gz XJTUBYDSIGBPMF-UHFFFAOYSA-N 0 3 291.420 2.257 20 30 CEEDHN C=C(C)CN1CCCN(C(=O)CCc2cncs2)CC1 ZINC000981958427 613308416 /nfs/dbraw/zinc/30/84/16/613308416.db2.gz DHNMPYNGWNQFJU-UHFFFAOYSA-N 0 3 293.436 2.186 20 30 CEEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cc[nH]c2C)C1 ZINC000965861792 613324195 /nfs/dbraw/zinc/32/41/95/613324195.db2.gz NSKDEBQCBCPHOQ-DOMZBBRYSA-N 0 3 275.396 2.339 20 30 CEEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C2(C)CC2)C1 ZINC000966259962 613332111 /nfs/dbraw/zinc/33/21/11/613332111.db2.gz DHMGJPGMDBQRRR-STQMWFEESA-N 0 3 250.386 2.189 20 30 CEEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2c(C)ccn2C)C1 ZINC000965959740 613334012 /nfs/dbraw/zinc/33/40/12/613334012.db2.gz WXOYZWXCOYAWSU-DZGCQCFKSA-N 0 3 289.423 2.350 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C)C(C)(C)C1 ZINC000974918184 613338218 /nfs/dbraw/zinc/33/82/18/613338218.db2.gz ROEOBGRMMZQEHV-JHJVBQTASA-N 0 3 250.386 2.045 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2cccnc2C)C1 ZINC000969585816 613436070 /nfs/dbraw/zinc/43/60/70/613436070.db2.gz AUSWLKWZMCCOSM-OAHLLOKOSA-N 0 3 287.407 2.293 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@H](N(C)C[C@@H]2CCCCO2)C1 ZINC000972081185 613438341 /nfs/dbraw/zinc/43/83/41/613438341.db2.gz ZYBILDWTLNAAJG-GJZGRUSLSA-N 0 3 294.439 2.300 20 30 CEEDHN C=CCCN1CCOC2(CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC000949305151 613513571 /nfs/dbraw/zinc/51/35/71/613513571.db2.gz LTKNETXCBUMMIS-OAHLLOKOSA-N 0 3 294.439 2.302 20 30 CEEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2oc(C)nc2C)C1 ZINC000965720329 613516646 /nfs/dbraw/zinc/51/66/46/613516646.db2.gz JNBHUZDFPSKVNI-RISCZKNCSA-N 0 3 291.395 2.308 20 30 CEEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2nccs2)C1 ZINC000968465380 613518487 /nfs/dbraw/zinc/51/84/87/613518487.db2.gz WIKDWORMMFEHIZ-VXGBXAGGSA-N 0 3 279.409 2.159 20 30 CEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)C(C)(C)F)CC1 ZINC000948131732 613556870 /nfs/dbraw/zinc/55/68/70/613556870.db2.gz JQCCOOMXULMGGX-CYBMUJFWSA-N 0 3 268.376 2.071 20 30 CEEDHN CC#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CCC2(F)F)CC1 ZINC000948471415 613558188 /nfs/dbraw/zinc/55/81/88/613558188.db2.gz RLMFNPSXMFBAQF-ZIAGYGMSSA-N 0 3 298.377 2.368 20 30 CEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cc(F)c[nH]2)CC1 ZINC000948625707 613560303 /nfs/dbraw/zinc/56/03/03/613560303.db2.gz SQELCWNNYKOATG-AWEZNQCLSA-N 0 3 291.370 2.104 20 30 CEEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2cccnc2)CC1 ZINC000948149390 613560757 /nfs/dbraw/zinc/56/07/57/613560757.db2.gz VUUNQZSTAIRLMP-INIZCTEOSA-N 0 3 285.391 2.031 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2ccccc2)C(C)(C)C1 ZINC000940844303 613579158 /nfs/dbraw/zinc/57/91/58/613579158.db2.gz HKZWXVRKTWWBCP-QGZVFWFLSA-N 0 3 298.430 2.469 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)Cc2occc2C)C[C@H]1C ZINC000947715774 613580059 /nfs/dbraw/zinc/58/00/59/613580059.db2.gz KNDGBVWGCFTLKE-HUUCEWRRSA-N 0 3 288.391 2.123 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)[C@@H]2CC23CCC3)C(C)(C)C1 ZINC000941065080 613580610 /nfs/dbraw/zinc/58/06/10/613580610.db2.gz VYVBRLCABVBXEH-LSDHHAIUSA-N 0 3 288.435 2.417 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)c2c(C)coc2C)[C@H](C)C1 ZINC000942019435 613581723 /nfs/dbraw/zinc/58/17/23/613581723.db2.gz COOKCTYISYOEMF-IUODEOHRSA-N 0 3 288.391 2.360 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)c2ccccc2F)C[C@@H]1C ZINC000947005935 613584455 /nfs/dbraw/zinc/58/44/55/613584455.db2.gz WUZIZZDRULLPEL-UONOGXRCSA-N 0 3 288.366 2.432 20 30 CEEDHN CC#CCN1CC[C@@H](NC(=O)c2cncc(CC)c2)[C@H](C)C1 ZINC000942495947 613587017 /nfs/dbraw/zinc/58/70/17/613587017.db2.gz IWBNFGILQXIZRL-RHSMWYFYSA-N 0 3 299.418 2.108 20 30 CEEDHN 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C=CC[C@@H]1CCN(C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000892787849 627773480 /nfs/dbraw/zinc/77/34/80/627773480.db2.gz BAFAQZLHYCKYSR-PBHICJAKSA-N 0 3 299.418 2.309 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCC[C@@H]1C ZINC001026019393 628003902 /nfs/dbraw/zinc/00/39/02/628003902.db2.gz MTFYNNQTUAEEBB-JAAXMTQOSA-N 0 3 262.397 2.045 20 30 CEEDHN CCCCCCCC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184306274 628203910 /nfs/dbraw/zinc/20/39/10/628203910.db2.gz CBAOYTRJXYHJEO-INIZCTEOSA-N 0 3 297.487 2.489 20 30 CEEDHN CCCCCCCCN1CCN(C[C@H](C)O)CC1 ZINC000189300572 628310132 /nfs/dbraw/zinc/31/01/32/628310132.db2.gz WELFLZQHHWXHBH-HNNXBMFYSA-N 0 3 256.434 2.345 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cccs2)C1 ZINC001009934050 628726770 /nfs/dbraw/zinc/72/67/70/628726770.db2.gz MOTNZDDKSIPTAS-LBPRGKRZSA-N 0 3 264.394 2.057 20 30 CEEDHN CC(C)N1CCC[C@@H]1C(=O)NCc1ccc(C#N)cc1F ZINC000932067292 628958731 /nfs/dbraw/zinc/95/87/31/628958731.db2.gz ARUKQYOTXBETDJ-OAHLLOKOSA-N 0 3 289.354 2.186 20 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CCCCCCCN1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000796127656 629780727 /nfs/dbraw/zinc/78/07/27/629780727.db2.gz GLQSMXSOWOJEDI-CQSZACIVSA-N 0 3 290.473 2.313 20 30 CEEDHN C=CCN(CCOC)Cc1cc(OC)ccc1O ZINC000191761222 629876271 /nfs/dbraw/zinc/87/62/71/629876271.db2.gz CSHNEBGCRILGBI-UHFFFAOYSA-N 0 3 251.326 2.035 20 30 CEEDHN C[C@@H]1C(=O)CC[C@@H]1CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000796633856 629952441 /nfs/dbraw/zinc/95/24/41/629952441.db2.gz PUTAYNKFXGUBNP-SCRDCRAPSA-N 0 3 298.342 2.339 20 30 CEEDHN O=C1[C@H]([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CCCN1[O-] ZINC000895157604 629973242 /nfs/dbraw/zinc/97/32/42/629973242.db2.gz CTNZYZYOIVWPPM-BPLDGKMQSA-N 0 3 289.379 2.078 20 30 CEEDHN CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895159281 629976741 /nfs/dbraw/zinc/97/67/41/629976741.db2.gz CYKJMGVEGXQNEJ-RWMBFGLXSA-N 0 3 256.390 2.417 20 30 CEEDHN C[C@@H]([NH2+][C@H]1CCCN([O-])C1=O)[C@H]1CCCC[C@H]1C ZINC000895160039 629977330 /nfs/dbraw/zinc/97/73/30/629977330.db2.gz 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/nfs/dbraw/zinc/35/88/47/630358847.db2.gz QOCPMKOEINRCTL-UHFFFAOYSA-N 0 3 280.375 2.327 20 30 CEEDHN C=CCC1(O)CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000895836177 630371539 /nfs/dbraw/zinc/37/15/39/630371539.db2.gz YAUWELIBNFDZNS-UHFFFAOYSA-N 0 3 265.328 2.434 20 30 CEEDHN COc1ccc([C@H](NC(C)C)C(=O)N[C@@H](C)CC#N)cc1 ZINC000895982367 630428095 /nfs/dbraw/zinc/42/80/95/630428095.db2.gz JTGGDDYDKCOQFX-WFASDCNBSA-N 0 3 289.379 2.153 20 30 CEEDHN C#CCC1(O)CCN(Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000896026026 630440764 /nfs/dbraw/zinc/44/07/64/630440764.db2.gz WYLCSELZRAKXCJ-CQSZACIVSA-N 0 3 285.387 2.360 20 30 CEEDHN CC[C@H](NCC(=O)N(CC)CC)c1cccc(C#N)c1 ZINC000902766760 634818333 /nfs/dbraw/zinc/81/83/33/634818333.db2.gz QXDAVHXFWNKPID-HNNXBMFYSA-N 0 3 273.380 2.467 20 30 CEEDHN Cc1cc(C#N)cc(C)c1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000896440372 630566708 /nfs/dbraw/zinc/56/67/08/630566708.db2.gz BYMDKMSVIAXPAX-CZUORRHYSA-N 0 3 297.402 2.388 20 30 CEEDHN C[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1cc(C#N)ccn1 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C=C(Cl)CN[C@H]1CCN(C(=O)c2ccccc2O)[C@@H]1C ZINC000985989647 631199325 /nfs/dbraw/zinc/19/93/25/631199325.db2.gz XCURZZUSGGALHH-YPMHNXCESA-N 0 3 294.782 2.337 20 30 CEEDHN COc1cc(C)c(CN(C)CCO[C@H](C)C#N)cc1OC ZINC000801910801 631350128 /nfs/dbraw/zinc/35/01/28/631350128.db2.gz XKXRJRXZUGNWDD-CYBMUJFWSA-N 0 3 292.379 2.373 20 30 CEEDHN CC[C@H](N[C@H]1CCCN(C)C1=O)c1cccc(C#N)c1 ZINC000902832314 634850571 /nfs/dbraw/zinc/85/05/71/634850571.db2.gz SOCONQCBHXGRTN-GJZGRUSLSA-N 0 3 271.364 2.220 20 30 CEEDHN Cc1ccc([C@H](C)NCCO[C@H](C)C#N)cc1[N+](=O)[O-] ZINC000801938681 631363295 /nfs/dbraw/zinc/36/32/95/631363295.db2.gz HOLCCODXDBSRMX-NEPJUHHUSA-N 0 3 277.324 2.483 20 30 CEEDHN Cc1cc(C)nc(C(=O)C(C#N)C(=O)Nc2ccccn2)c1 ZINC000802047660 631377863 /nfs/dbraw/zinc/37/78/63/631377863.db2.gz GJOCXRWIDADCFN-LBPRGKRZSA-N 0 3 294.314 2.055 20 30 CEEDHN C#CCSCC(=O)Nc1cc(CN(C)C)ccc1OC ZINC000888139490 631383699 /nfs/dbraw/zinc/38/36/99/631383699.db2.gz SZRCBQBLMUIIJZ-UHFFFAOYSA-N 0 3 292.404 2.062 20 30 CEEDHN CCCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC000987778601 631454693 /nfs/dbraw/zinc/45/46/93/631454693.db2.gz JRWFQXJWNQLYQI-NEPJUHHUSA-N 0 3 291.420 2.499 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)C=C2CCCCC2)C1 ZINC000988284957 631492803 /nfs/dbraw/zinc/49/28/03/631492803.db2.gz XFIVMYVGDDIAFH-ZFWWWQNUSA-N 0 3 260.381 2.089 20 30 CEEDHN CC(C)N1CCC[C@@H]1C(=O)NCC1(C#N)CCCCC1 ZINC000825458132 635642546 /nfs/dbraw/zinc/64/25/46/635642546.db2.gz GSGNLMNDHPCVMW-CQSZACIVSA-N 0 3 277.412 2.449 20 30 CEEDHN C=CCN1CCN(CN2CCC[C@H](CC)CC2)C1=O ZINC000840011360 631592081 /nfs/dbraw/zinc/59/20/81/631592081.db2.gz ZRZJUAAZYRWSLH-AWEZNQCLSA-N 0 3 265.401 2.380 20 30 CEEDHN CCCN(CCN1CCCC1)C(=O)C#Cc1ccccc1 ZINC000804441778 631683243 /nfs/dbraw/zinc/68/32/43/631683243.db2.gz TUHSULCDFPTDRT-UHFFFAOYSA-N 0 3 284.403 2.373 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2oc(C(F)F)cc2C)C1 ZINC000988991481 631715265 /nfs/dbraw/zinc/71/52/65/631715265.db2.gz WELBHNFBNCSUFF-WDEREUQCSA-N 0 3 296.317 2.351 20 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/nfs/dbraw/zinc/22/20/48/632222048.db2.gz ZJYWJFRTCJBGGA-YPMHNXCESA-N 0 3 288.416 2.451 20 30 CEEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCSC1 ZINC000810528861 632223071 /nfs/dbraw/zinc/22/30/71/632223071.db2.gz XJBGIDRPQWYDCY-VXGBXAGGSA-N 0 3 282.409 2.145 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@@H](C)Cc2ccccc2)CC1 ZINC000989713855 632230001 /nfs/dbraw/zinc/23/00/01/632230001.db2.gz FJIDEEDYBUDVSR-KRWDZBQOSA-N 0 3 298.430 2.423 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(C)c(F)c(C)c2)C1 ZINC000989813491 632245149 /nfs/dbraw/zinc/24/51/49/632245149.db2.gz TXSWDCOMOPIFCY-HIFRSBDPSA-N 0 3 288.366 2.268 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(C)c(F)c(C)c2)C1 ZINC000989813490 632245722 /nfs/dbraw/zinc/24/57/22/632245722.db2.gz TXSWDCOMOPIFCY-DZGCQCFKSA-N 0 3 288.366 2.268 20 30 CEEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc3c2CCC3)C1 ZINC000989847389 632253704 /nfs/dbraw/zinc/25/37/04/632253704.db2.gz LCTKOTCMHLELKC-ZFWWWQNUSA-N 0 3 282.387 2.001 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC000989859944 632257009 /nfs/dbraw/zinc/25/70/09/632257009.db2.gz ALXWFIKANYXVRA-WCQYABFASA-N 0 3 299.349 2.133 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cnc(C(C)C)s2)C1 ZINC000989873966 632264044 /nfs/dbraw/zinc/26/40/44/632264044.db2.gz PVLZDMZZCFSKST-NEPJUHHUSA-N 0 3 291.420 2.092 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)C(C)(C)F)CCC[C@@H]12 ZINC000989901393 632276707 /nfs/dbraw/zinc/27/67/07/632276707.db2.gz YPYNQIVBTLAFTB-RISCZKNCSA-N 0 3 254.349 2.034 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3c(C)noc3C)CCC[C@@H]12 ZINC000989945456 632286651 /nfs/dbraw/zinc/28/66/51/632286651.db2.gz MAGVOMOEIFAEKE-CJNGLKHVSA-N 0 3 289.379 2.204 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)[C@H]3CC=CCC3)CCC[C@H]12 ZINC000989944344 632286669 /nfs/dbraw/zinc/28/66/69/632286669.db2.gz BHOJMOABQKAYBI-YQQAZPJKSA-N 0 3 272.392 2.089 20 30 CEEDHN N#CCC1(OC(=O)C2CCN(C3CC3)CC2)CCC1 ZINC000810855278 632290711 /nfs/dbraw/zinc/29/07/11/632290711.db2.gz GEFDIWVVYBVNQA-UHFFFAOYSA-N 0 3 262.353 2.240 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)c3ccccc3O)CCC[C@@H]12 ZINC000989960996 632290976 /nfs/dbraw/zinc/29/09/76/632290976.db2.gz PTQBRDHURGSWNZ-SJLPKXTDSA-N 0 3 298.386 2.142 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(F)cn3)CCC[C@@H]12 ZINC000990325781 632335749 /nfs/dbraw/zinc/33/57/49/632335749.db2.gz HHYXBSSTVZFCRU-ZBFHGGJFSA-N 0 3 289.354 2.134 20 30 CEEDHN CC[C@](C)(C#N)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000813432570 632690792 /nfs/dbraw/zinc/69/07/92/632690792.db2.gz ZARJNWZFJHJIQR-XJKCOSOUSA-N 0 3 286.331 2.099 20 30 CEEDHN CC1/C(=C/c2ccnn2C2CCC2)C(=O)c2ncnn21 ZINC000899380810 632821861 /nfs/dbraw/zinc/82/18/61/632821861.db2.gz LDQOIWZHICNEDU-PPLKPFPSSA-N 0 3 269.308 2.041 20 30 CEEDHN C=C1CCC(CNC(=S)NC2CCN(C)CC2)CC1 ZINC000899559259 632902074 /nfs/dbraw/zinc/90/20/74/632902074.db2.gz DVAVWAOHELYWIC-UHFFFAOYSA-N 0 3 281.469 2.291 20 30 CEEDHN CC(C)(CO)CNN=C1CC[C@@H]2CNc3cccc1c32 ZINC000814922636 632929020 /nfs/dbraw/zinc/92/90/20/632929020.db2.gz QQBKZDPOBAAJLR-LLVKDONJSA-N 0 3 273.380 2.302 20 30 CEEDHN Cc1ccc(C(=O)/C=C\C(=O)NCC(C)(C)N(C)C)cc1 ZINC000899963089 633144199 /nfs/dbraw/zinc/14/41/99/633144199.db2.gz BTCYNTMDYFBSML-KHPPLWFESA-N 0 3 288.391 2.190 20 30 CEEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCC#N)Cc2ccccc21 ZINC000818048977 633848543 /nfs/dbraw/zinc/84/85/43/633848543.db2.gz YQAVUBPWBICKNS-IUODEOHRSA-N 0 3 271.364 2.153 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(Cl)cs1 ZINC000818615773 633960359 /nfs/dbraw/zinc/96/03/59/633960359.db2.gz VOYULDFZKLAEOM-UHFFFAOYSA-N 0 3 270.785 2.086 20 30 CEEDHN CCCCCC[C@H](O)CNCc1ccc(C#N)cn1 ZINC000819312836 634136017 /nfs/dbraw/zinc/13/60/17/634136017.db2.gz WRCJEGMBYJTAPA-HNNXBMFYSA-N 0 3 261.369 2.374 20 30 CEEDHN C[C@@H](N[C@H](CO)CC(C)(C)C)c1cc(C#N)ccn1 ZINC000902880732 634876379 /nfs/dbraw/zinc/87/63/79/634876379.db2.gz BFCULKUQOALXML-YPMHNXCESA-N 0 3 261.369 2.401 20 30 CEEDHN C[C@H](N[C@@H](CO)C1CCCC1)c1cc(C#N)ccn1 ZINC000902997184 634929978 /nfs/dbraw/zinc/92/99/78/634929978.db2.gz RLUGEMMZAUGYSY-NHYWBVRUSA-N 0 3 259.353 2.155 20 30 CEEDHN C[C@@H](NC[C@@H]1CCCN1CC(F)F)c1cc(C#N)ccn1 ZINC000903063763 634951847 /nfs/dbraw/zinc/95/18/47/634951847.db2.gz HYHJUKFCARGPOX-YPMHNXCESA-N 0 3 294.349 2.333 20 30 CEEDHN C[C@H](NC[C@@H]1CC(C)(C)CO1)c1cc(C#N)ccn1 ZINC000903084685 634962180 /nfs/dbraw/zinc/96/21/80/634962180.db2.gz HEQAUOBBJMPOQW-AAEUAGOBSA-N 0 3 259.353 2.419 20 30 CEEDHN C[C@@H](NC[C@H](CO)Cc1ccoc1)c1cc(C#N)ccn1 ZINC000903086087 634962853 /nfs/dbraw/zinc/96/28/53/634962853.db2.gz CMUPKVPXPVHIPH-IUODEOHRSA-N 0 3 285.347 2.048 20 30 CEEDHN COC[C@H](NCC1(C#N)CCCC1)[C@@H]1CCCOC1 ZINC000903109371 634973654 /nfs/dbraw/zinc/97/36/54/634973654.db2.gz OGKUUBJNKMZNCT-KGLIPLIRSA-N 0 3 266.385 2.102 20 30 CEEDHN CC(C)O[C@]1(CN[C@@H](C)c2cc(C#N)ccn2)CCOC1 ZINC000903358742 635084580 /nfs/dbraw/zinc/08/45/80/635084580.db2.gz YVUIWFWKLOEXKY-BBRMVZONSA-N 0 3 289.379 2.188 20 30 CEEDHN CCN1CCC[C@H](N[C@@H]2CCc3ccc(C#N)cc32)C1=O ZINC000903388235 635099186 /nfs/dbraw/zinc/09/91/86/635099186.db2.gz MCPARQSBHHAESO-CVEARBPZSA-N 0 3 283.375 2.146 20 30 CEEDHN C#C[C@@H](C)NCc1cn(C)nc1-c1ccc(F)cc1 ZINC000824363377 635413332 /nfs/dbraw/zinc/41/33/32/635413332.db2.gz CKCBAOIDRDHBBY-LLVKDONJSA-N 0 3 257.312 2.338 20 30 CEEDHN C#CCOc1ccc(CNC2(CF)CCOCC2)cc1 ZINC000824690418 635477899 /nfs/dbraw/zinc/47/78/99/635477899.db2.gz FJWHRVGNKOQXPL-UHFFFAOYSA-N 0 3 277.339 2.307 20 30 CEEDHN CC(C)N1CCC[C@H]1C(=O)N(C1CC1)C1(C#N)CCC1 ZINC000904820512 635736507 /nfs/dbraw/zinc/73/65/07/635736507.db2.gz WUVPBWKBQIWBEQ-AWEZNQCLSA-N 0 3 275.396 2.296 20 30 CEEDHN C#CCSCCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000826009400 635745062 /nfs/dbraw/zinc/74/50/62/635745062.db2.gz SDIGLOMQMZZACB-OAHLLOKOSA-N 0 3 294.464 2.266 20 30 CEEDHN Cc1cc(/C=C2/C(=O)c3ncnn3C2C)cc(C)c1O ZINC000905081816 635797238 /nfs/dbraw/zinc/79/72/38/635797238.db2.gz TVYFHYFNBKPGDF-HAAVITCDSA-N 0 3 269.304 2.441 20 30 CEEDHN COCCOc1cccc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905080948 635797759 /nfs/dbraw/zinc/79/77/59/635797759.db2.gz OQLOGZOOZZAIHV-ZECSTPGPSA-N 0 3 299.330 2.144 20 30 CEEDHN C#Cc1cnc(NC[C@@H](c2cccc(OC)c2)N(C)C)nc1 ZINC000827300132 636285877 /nfs/dbraw/zinc/28/58/77/636285877.db2.gz XVCSYOYXFQTOPI-INIZCTEOSA-N 0 3 296.374 2.181 20 30 CEEDHN C=CC[C@H](NC[C@H]1CCN1C1CCCCC1)C(=O)OC ZINC000905775420 636432778 /nfs/dbraw/zinc/43/27/78/636432778.db2.gz XBTMUMDDPQVZMX-CABCVRRESA-N 0 3 280.412 2.101 20 30 CEEDHN CCC[C@H](N)c1cn(CC2CCC(C#N)CC2)nn1 ZINC000905815569 636484583 /nfs/dbraw/zinc/48/45/83/636484583.db2.gz KSHKVWGICTZLSE-BPCQOVAHSA-N 0 3 261.373 2.408 20 30 CEEDHN N#Cc1ccc([C@H](NCC[C@@H]2CC[C@H]3C[C@H]32)C(N)=O)cc1 ZINC000905846345 636504964 /nfs/dbraw/zinc/50/49/64/636504964.db2.gz NEYPWUSLOZSVPE-TUUVXOQKSA-N 0 3 283.375 2.110 20 30 CEEDHN Cc1cc(C(=O)N[C@H]2CCN(C3CC3)C2)cc(C)c1C#N ZINC000906413378 636736329 /nfs/dbraw/zinc/73/63/29/636736329.db2.gz ZCDIEVWAUOLRBJ-AWEZNQCLSA-N 0 3 283.375 2.142 20 30 CEEDHN CN(Cc1ccnc(C#N)c1)C[C@@]1(O)CCc2ccccc21 ZINC000829368435 636836059 /nfs/dbraw/zinc/83/60/59/636836059.db2.gz WFNICPAINUVZHY-SFHVURJKSA-N 0 3 293.370 2.219 20 30 CEEDHN C#CC[C@H]1CCCN(CC(=O)N2CCc3ccccc3C2)C1 ZINC000829769682 636925354 /nfs/dbraw/zinc/92/53/54/636925354.db2.gz ZNJNSCOBVWPZNZ-INIZCTEOSA-N 0 3 296.414 2.307 20 30 CEEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)NCCCC)C1 ZINC000829773178 636926887 /nfs/dbraw/zinc/92/68/87/636926887.db2.gz BJNXNEFXMGLQTL-KGLIPLIRSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)NCc2ccccc2)C1 ZINC000829775161 636927722 /nfs/dbraw/zinc/92/77/22/636927722.db2.gz YSBBSLGOBVOQHL-NVXWUHKLSA-N 0 3 284.403 2.427 20 30 CEEDHN C#CC[C@@H]1CCCN(Cc2cc(C(=O)OC)co2)C1 ZINC000829779426 636927946 /nfs/dbraw/zinc/92/79/46/636927946.db2.gz UNNJAHFACMEZSK-GFCCVEGCSA-N 0 3 261.321 2.302 20 30 CEEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)NC2CCCC2)C1 ZINC000829775194 636928147 /nfs/dbraw/zinc/92/81/47/636928147.db2.gz YYWUNJSUKWODLT-ZIAGYGMSSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CC[C@@H]1CCCN([C@H](CC(C)C)C(=O)OC)C1 ZINC000829815871 636937931 /nfs/dbraw/zinc/93/79/31/636937931.db2.gz VBUPQJJEZRBTNB-ZIAGYGMSSA-N 0 3 251.370 2.309 20 30 CEEDHN C#CC1CCN([C@@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000830311772 637032662 /nfs/dbraw/zinc/03/26/62/637032662.db2.gz UYDDBRLXCXAYFX-HNNXBMFYSA-N 0 3 284.403 2.345 20 30 CEEDHN C#CC1CCN([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000830311501 637032690 /nfs/dbraw/zinc/03/26/90/637032690.db2.gz NYRCMBIMNUVCFH-AWEZNQCLSA-N 0 3 262.397 2.123 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000876547328 650317934 /nfs/dbraw/zinc/31/79/34/650317934.db2.gz OTCJAXURIHYLHB-SNVBAGLBSA-N 0 3 284.743 2.112 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCOC1CCCCC1 ZINC000876565721 650333256 /nfs/dbraw/zinc/33/32/56/650333256.db2.gz LYVXCCJGHQNERI-ZDUSSCGKSA-N 0 3 288.819 2.312 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccsc1 ZINC000876565437 650333410 /nfs/dbraw/zinc/33/34/10/650333410.db2.gz UTIIBUVDLOYOGE-SNVBAGLBSA-N 0 3 258.774 2.176 20 30 CEEDHN Cc1ccc(CNC(=O)[C@H]2CCCN2C(C)C)cc1C#N ZINC000831781874 637431709 /nfs/dbraw/zinc/43/17/09/637431709.db2.gz VPNSEMWNDQJXBM-MRXNPFEDSA-N 0 3 285.391 2.356 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000876576475 650341433 /nfs/dbraw/zinc/34/14/33/650341433.db2.gz LWCCHJQJOPVXFO-LLVKDONJSA-N 0 3 296.754 2.190 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000876622926 650364640 /nfs/dbraw/zinc/36/46/40/650364640.db2.gz RAQYYHUCKSAOAL-SNVBAGLBSA-N 0 3 282.775 2.183 20 30 CEEDHN C#CCN1CCC(C(=O)NCCC[C@H]2C=CCC2)CC1 ZINC000834333750 637783320 /nfs/dbraw/zinc/78/33/20/637783320.db2.gz CIYGUPNCEBUJTR-HNNXBMFYSA-N 0 3 274.408 2.194 20 30 CEEDHN C#CCCCCN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000834680605 637917389 /nfs/dbraw/zinc/91/73/89/637917389.db2.gz BXPSMLWXTBEYGM-OAHLLOKOSA-N 0 3 272.327 2.426 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC2(CCCC2)C1 ZINC000876655963 650381196 /nfs/dbraw/zinc/38/11/96/650381196.db2.gz ABKYSIHDQICMBH-NSHDSACASA-N 0 3 256.777 2.249 20 30 CEEDHN CCN1CCCN(C(=O)c2cccc(F)c2C#N)[C@H](C)C1 ZINC000910278734 637972455 /nfs/dbraw/zinc/97/24/55/637972455.db2.gz GWEIPPOQVWHGCS-GFCCVEGCSA-N 0 3 289.354 2.254 20 30 CEEDHN CCC[C@H](OC)C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000835059373 638043478 /nfs/dbraw/zinc/04/34/78/638043478.db2.gz IDCFJBWWZVEHOE-YPMHNXCESA-N 0 3 261.325 2.085 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@H](SC)C1 ZINC000876672939 650392515 /nfs/dbraw/zinc/39/25/15/650392515.db2.gz SKDXKQJZRZBRCA-VWYCJHECSA-N 0 3 276.833 2.247 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](CC)CC1 ZINC000876671424 650393017 /nfs/dbraw/zinc/39/30/17/650393017.db2.gz CIFUSRPJDALGJV-NEPJUHHUSA-N 0 3 258.793 2.495 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C ZINC000876680501 650396624 /nfs/dbraw/zinc/39/66/24/650396624.db2.gz DSLJVIJEZVIICQ-SMDDNHRTSA-N 0 3 278.783 2.430 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC(C)(C)CC1 ZINC000876683642 650398230 /nfs/dbraw/zinc/39/82/30/650398230.db2.gz XMAOICREKOBWDU-LLVKDONJSA-N 0 3 258.793 2.495 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(CC)(CC)SC ZINC000876690870 650401613 /nfs/dbraw/zinc/40/16/13/650401613.db2.gz TZTFSECZTJGZQN-SNVBAGLBSA-N 0 3 278.849 2.494 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000876724991 650410468 /nfs/dbraw/zinc/41/04/68/650410468.db2.gz LOZNGYFTFVEZMS-GFCCVEGCSA-N 0 3 294.786 2.090 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCNc1ccccc1 ZINC000876739442 650414444 /nfs/dbraw/zinc/41/44/44/650414444.db2.gz HRFTWIZQWLTGMU-CYBMUJFWSA-N 0 3 281.787 2.075 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2nc(C)cs2)CCC1 ZINC000876749938 650418848 /nfs/dbraw/zinc/41/88/48/650418848.db2.gz OVRXFFUGFSNUFB-SNVBAGLBSA-N 0 3 299.827 2.417 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1nc(C)cs1 ZINC000876752657 650420186 /nfs/dbraw/zinc/42/01/86/650420186.db2.gz VYFPCZARSGYKFY-BDAKNGLRSA-N 0 3 273.789 2.099 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000911924058 638467768 /nfs/dbraw/zinc/46/77/68/638467768.db2.gz TYNCOUSGXVGIGD-AWEZNQCLSA-N 0 3 290.363 2.485 20 30 CEEDHN N#Cc1sccc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000912065983 638530893 /nfs/dbraw/zinc/53/08/93/638530893.db2.gz PNQPGYWSSFRYNK-OLZOCXBDSA-N 0 3 289.404 2.366 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N(C)CCOc1ccc(F)cc1 ZINC000912141425 638580901 /nfs/dbraw/zinc/58/09/01/638580901.db2.gz YFAFHWNDAKXBDH-OAHLLOKOSA-N 0 3 294.370 2.347 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000836300461 638593967 /nfs/dbraw/zinc/59/39/67/638593967.db2.gz QOZODSXLFIKIOH-RRFJBIMHSA-N 0 3 279.428 2.065 20 30 CEEDHN C#CCN(C)CCCNC(=O)NCc1ccccc1CC ZINC000836320968 638599402 /nfs/dbraw/zinc/59/94/02/638599402.db2.gz VPVLSIZPSALXMV-UHFFFAOYSA-N 0 3 287.407 2.003 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OCCOC)cc1 ZINC000912417285 638688004 /nfs/dbraw/zinc/68/80/04/638688004.db2.gz AOIYYQBUDJJZHB-OAHLLOKOSA-N 0 3 292.379 2.334 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2ccc(F)cc2C1 ZINC000876880705 650470541 /nfs/dbraw/zinc/47/05/41/650470541.db2.gz MRWYTTCVHRKYNN-ZDUSSCGKSA-N 0 3 282.746 2.180 20 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OLVVLZMYCQNIBY-JTQLQIEISA-N 0 3 295.770 2.074 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)Cc3ccc(C)cc3)CCC[C@H]12 ZINC000991686727 639560546 /nfs/dbraw/zinc/56/05/46/639560546.db2.gz YGDULUBBJAKXBT-PKOBYXMFSA-N 0 3 296.414 2.284 20 30 CEEDHN C#C[C@H](NCc1ccc(N(C)C)cc1C)[C@@H]1CCCO1 ZINC000840938675 639592346 /nfs/dbraw/zinc/59/23/46/639592346.db2.gz QBUWPTONQUEAFY-IRXDYDNUSA-N 0 3 272.392 2.331 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1C[C@H]1c1ccccc1OC ZINC000876971190 650512789 /nfs/dbraw/zinc/51/27/89/650512789.db2.gz NIENIUXWDVIILX-YNEHKIRRSA-N 0 3 294.782 2.137 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000876974490 650513718 /nfs/dbraw/zinc/51/37/18/650513718.db2.gz JAMBHHIMESANBQ-QWHCGFSZSA-N 0 3 270.804 2.495 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC2(CCC2)CC1 ZINC000876984154 650518993 /nfs/dbraw/zinc/51/89/93/650518993.db2.gz BPWFXGWHRGHQPZ-NSHDSACASA-N 0 3 256.777 2.249 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000876984037 650519041 /nfs/dbraw/zinc/51/90/41/650519041.db2.gz CXCNIKKSHARRAO-SFYZADRCSA-N 0 3 285.602 2.156 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC(C)(C)[C@H]1c1cccnc1 ZINC000876983805 650519084 /nfs/dbraw/zinc/51/90/84/650519084.db2.gz XGQJUSBNQGPFGT-CHWSQXEVSA-N 0 3 293.798 2.461 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)CCSC ZINC000171480802 639721761 /nfs/dbraw/zinc/72/17/61/639721761.db2.gz KPCBUZSTSNIFIM-NSHDSACASA-N 0 3 270.398 2.145 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000841300467 639733159 /nfs/dbraw/zinc/73/31/59/639733159.db2.gz PQRRHLGHFPBALD-UHFFFAOYSA-N 0 3 288.395 2.431 20 30 CEEDHN C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000841900658 639902384 /nfs/dbraw/zinc/90/23/84/639902384.db2.gz BVENMSHNZXXNRF-BFYDXBDKSA-N 0 3 299.418 2.013 20 30 CEEDHN CO[C@@H](CN[C@H](C)CC1(C#N)CCOCC1)C(F)(F)F ZINC000877027523 650537612 /nfs/dbraw/zinc/53/76/12/650537612.db2.gz NZFBYXSIZFLRHN-MNOVXSKESA-N 0 3 294.317 2.252 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC[C@@H]1CC=CCC1 ZINC000877032249 650539149 /nfs/dbraw/zinc/53/91/49/650539149.db2.gz IFWOJFWTIZWYCL-VXGBXAGGSA-N 0 3 256.777 2.319 20 30 CEEDHN Cc1ncccc1OC[C@@H]1CCCN1CCO[C@H](C)C#N ZINC000842173150 639973106 /nfs/dbraw/zinc/97/31/06/639973106.db2.gz LAJWGXACXFPTNQ-HIFRSBDPSA-N 0 3 289.379 2.162 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)C3CC4(CC4)C3)CCC[C@@H]12 ZINC000992179692 639981908 /nfs/dbraw/zinc/98/19/08/639981908.db2.gz QHXHARNDQOZMLA-RHSMWYFYSA-N 0 3 274.408 2.476 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1cccc(C2CC2)c1 ZINC000842288470 639998747 /nfs/dbraw/zinc/99/87/47/639998747.db2.gz ILJDNYOCHZSXBI-HNNXBMFYSA-N 0 3 284.359 2.340 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3nc(C)oc3C)CCC[C@H]12 ZINC000992348089 640030191 /nfs/dbraw/zinc/03/01/91/640030191.db2.gz DMNYXGJNOURIHW-XJKSGUPXSA-N 0 3 289.379 2.204 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3ccnc(C)c3)CCC[C@H]12 ZINC000992360571 640032958 /nfs/dbraw/zinc/03/29/58/640032958.db2.gz HGJKZXILLHNXMU-RDJZCZTQSA-N 0 3 285.391 2.303 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1C(F)F ZINC000877069817 650558328 /nfs/dbraw/zinc/55/83/28/650558328.db2.gz GKHKPNLLYROQJF-DTWKUNHWSA-N 0 3 266.719 2.103 20 30 CEEDHN CC(C)[C@@H](CCO)NCc1cc(C#N)cnc1Cl ZINC000877064495 650556265 /nfs/dbraw/zinc/55/62/65/650556265.db2.gz UDTDDISGXFTDEX-GFCCVEGCSA-N 0 3 267.760 2.103 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C2CCCC2)[C@@H]1C ZINC000992939675 640376456 /nfs/dbraw/zinc/37/64/56/640376456.db2.gz DYJMADXJGWHLBA-DZGCQCFKSA-N 0 3 262.397 2.169 20 30 CEEDHN C=CCN1CCC[C@H](NC(=O)Cc2cccs2)[C@H]1C ZINC000992986300 640392429 /nfs/dbraw/zinc/39/24/29/640392429.db2.gz XSLRISRSWSOIBZ-OCCSQVGLSA-N 0 3 278.421 2.446 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C)o2)[C@H]1C ZINC000993003160 640398552 /nfs/dbraw/zinc/39/85/52/640398552.db2.gz KAHHSRULBGICDX-ZIAGYGMSSA-N 0 3 274.364 2.194 20 30 CEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccsc2)[C@@H]1C ZINC000993008460 640400038 /nfs/dbraw/zinc/40/00/38/640400038.db2.gz BIGJGWIYWLWHQC-GXTWGEPZSA-N 0 3 278.421 2.446 20 30 CEEDHN Cc1ncc(CCNCc2cccc(C#N)n2)s1 ZINC000877115286 650580147 /nfs/dbraw/zinc/58/01/47/650580147.db2.gz KSSKRCNWOBKEES-UHFFFAOYSA-N 0 3 258.350 2.051 20 30 CEEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccnc(F)c2)[C@@H]1C ZINC000993126736 640466125 /nfs/dbraw/zinc/46/61/25/640466125.db2.gz KXNPZLWHTPKIHD-GXTWGEPZSA-N 0 3 291.370 2.380 20 30 CEEDHN C#CCN(C(=O)N[C@@H](CC)CCC)C1CCN(C)CC1 ZINC000915199987 640526173 /nfs/dbraw/zinc/52/61/73/640526173.db2.gz VMAKMHBTAJONMN-AWEZNQCLSA-N 0 3 279.428 2.304 20 30 CEEDHN C[C@H](C[C@@H](O)c1ccco1)NCc1cccc(C#N)n1 ZINC000877131186 650587255 /nfs/dbraw/zinc/58/72/55/650587255.db2.gz XGRYDPMTSQPERC-BXUZGUMPSA-N 0 3 271.320 2.148 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C2=CCCC2)[C@@H]1C ZINC000993235610 640568941 /nfs/dbraw/zinc/56/89/41/640568941.db2.gz RDHXQPZNIZQCEK-DZGCQCFKSA-N 0 3 260.381 2.089 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)c2ccoc2CC)[C@H]1C ZINC000993271212 640571779 /nfs/dbraw/zinc/57/17/79/640571779.db2.gz WKZFIQJRYWCZEQ-HIFRSBDPSA-N 0 3 288.391 2.448 20 30 CEEDHN CC(C)N1CCCC[C@H]1COC(=O)CSCC#N ZINC000837417486 640604863 /nfs/dbraw/zinc/60/48/63/640604863.db2.gz GIOZCUKNIVTRQB-LBPRGKRZSA-N 0 3 270.398 2.049 20 30 CEEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccccc2)[C@@H]1C ZINC000993497848 640650956 /nfs/dbraw/zinc/65/09/56/640650956.db2.gz LESCSDFINGALBD-GOEBONIOSA-N 0 3 272.392 2.384 20 30 CEEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H](CO)CCF)c([O-])c1 ZINC000844272749 640651531 /nfs/dbraw/zinc/65/15/31/640651531.db2.gz YLDZUJFLYWALNX-OMJMQIJPSA-N 0 3 282.359 2.378 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)c2ncccc2CC)[C@H]1C ZINC000993526371 640654387 /nfs/dbraw/zinc/65/43/87/640654387.db2.gz XFUBXDIILYYEIS-GDBMZVCRSA-N 0 3 299.418 2.250 20 30 CEEDHN C#CCCN1CCC[C@H](NC(=O)C2(C)CCC2)[C@H]1C ZINC000993666442 640665971 /nfs/dbraw/zinc/66/59/71/640665971.db2.gz AWYWJZXQTSCUHF-KGLIPLIRSA-N 0 3 262.397 2.169 20 30 CEEDHN C#CCCN1CCC[C@@H](NC(=O)C2(C)CCC2)[C@H]1C ZINC000993666445 640666009 /nfs/dbraw/zinc/66/60/09/640666009.db2.gz AWYWJZXQTSCUHF-ZIAGYGMSSA-N 0 3 262.397 2.169 20 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20 30 CEEDHN C=CC[C@H](NC(=O)N[C@H]1CCN(C)[C@H]1C)c1ccncc1 ZINC000919013344 641006460 /nfs/dbraw/zinc/00/64/60/641006460.db2.gz CYYOYZHWRRCZOV-QEJZJMRPSA-N 0 3 288.395 2.091 20 30 CEEDHN C=C[C@H](C)ONC(=O)N(CCC)CCN1CCCCC1 ZINC000845616784 641020267 /nfs/dbraw/zinc/02/02/67/641020267.db2.gz MYEMZSLVKOTELF-AWEZNQCLSA-N 0 3 283.416 2.400 20 30 CEEDHN C=C[C@@H](C)ONC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000845616268 641020338 /nfs/dbraw/zinc/02/03/38/641020338.db2.gz INEJGUDKPLVOHJ-RISCZKNCSA-N 0 3 295.358 2.234 20 30 CEEDHN CCC(CC)(CNC(=O)[C@H](N)CCCC#N)C(F)(F)F ZINC000877226010 650632026 /nfs/dbraw/zinc/63/20/26/650632026.db2.gz KYSLSSWPRSDMJR-SNVBAGLBSA-N 0 3 293.333 2.492 20 30 CEEDHN N#Cc1ccccc1CNC[C@@H]1CC[C@H](NC(=O)C2CC2)C1 ZINC000994614020 641064529 /nfs/dbraw/zinc/06/45/29/641064529.db2.gz NDILQQOLQREICD-DYVFJYSZSA-N 0 3 297.402 2.343 20 30 CEEDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCC2(C#N)CCCC2)C1 ZINC000846348687 641276978 /nfs/dbraw/zinc/27/69/78/641276978.db2.gz SGQLCLFDFNQGFR-INIZCTEOSA-N 0 3 295.402 2.399 20 30 CEEDHN CC1(C)[C@H](O)C[C@H]1NCc1cc(Cl)ccc1OCC#N ZINC000846959391 641499380 /nfs/dbraw/zinc/49/93/80/641499380.db2.gz LDAMRFREJILMSV-ZIAGYGMSSA-N 0 3 294.782 2.491 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCC[C@H]1C=CCC1 ZINC000877307862 650666219 /nfs/dbraw/zinc/66/62/19/650666219.db2.gz MJSTUGUVJWGRJK-RYUDHWBXSA-N 0 3 256.777 2.319 20 30 CEEDHN C#C[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000847024830 641532105 /nfs/dbraw/zinc/53/21/05/641532105.db2.gz TWEMNGSGPQGCGO-CYBMUJFWSA-N 0 3 274.320 2.319 20 30 CEEDHN C#C[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000847025269 641532267 /nfs/dbraw/zinc/53/22/67/641532267.db2.gz VOXSNXQIHMOXEQ-ZDUSSCGKSA-N 0 3 274.320 2.319 20 30 CEEDHN C=C[C@H](C)ONC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000847392040 641653518 /nfs/dbraw/zinc/65/35/18/641653518.db2.gz KBMFAOVSLBJVOJ-LBPRGKRZSA-N 0 3 269.389 2.008 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@]2(CCc3ccccc32)C1 ZINC000877349157 650684414 /nfs/dbraw/zinc/68/44/14/650684414.db2.gz FCTXCTKILISXKM-SJLPKXTDSA-N 0 3 297.402 2.124 20 30 CEEDHN O=c1[nH]ncc(N=NC2CCCN3CCCC[C@H]23)c1Cl ZINC000848404369 641979894 /nfs/dbraw/zinc/97/98/94/641979894.db2.gz JMYJAFCKEZLPIR-LLVKDONJSA-N 0 3 295.774 2.252 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(n1)CCCC2 ZINC000877432608 650718223 /nfs/dbraw/zinc/71/82/23/650718223.db2.gz WYWKLUAMJZEUNT-NSHDSACASA-N 0 3 279.771 2.369 20 30 CEEDHN C=CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C(C)C ZINC000768440844 642099336 /nfs/dbraw/zinc/09/93/36/642099336.db2.gz AASJTEMDXRIRGU-CQSZACIVSA-N 0 3 263.337 2.214 20 30 CEEDHN C=CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C(C)C ZINC000768440844 642099339 /nfs/dbraw/zinc/09/93/39/642099339.db2.gz AASJTEMDXRIRGU-CQSZACIVSA-N 0 3 263.337 2.214 20 30 CEEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ncccc2C)CC1 ZINC000997005849 642170922 /nfs/dbraw/zinc/17/09/22/642170922.db2.gz OZFFKUKWQYRNQX-OAHLLOKOSA-N 0 3 299.418 2.244 20 30 CEEDHN C=CCC1(NC(=O)N[C@H]2CCN(C)[C@H]2C)CCCC1 ZINC000925341711 642205156 /nfs/dbraw/zinc/20/51/56/642205156.db2.gz IGXOFMXDDLRVDD-STQMWFEESA-N 0 3 265.401 2.267 20 30 CEEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CC23CCC3)CC1 ZINC000997328051 642238299 /nfs/dbraw/zinc/23/82/99/642238299.db2.gz RVFPUJMXPQOARW-ZBFHGGJFSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CC23CCC3)CC1 ZINC000997325943 642238508 /nfs/dbraw/zinc/23/85/08/642238508.db2.gz ANMJXYVYFJEDHY-HIFRSBDPSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc(C)o2)CC1 ZINC000997474286 642275041 /nfs/dbraw/zinc/27/50/41/642275041.db2.gz IJDJHDWEKXUOMO-ZDUSSCGKSA-N 0 3 274.364 2.052 20 30 CEEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000997790865 642323157 /nfs/dbraw/zinc/32/31/57/642323157.db2.gz JKFCBQLOJRGPCF-RRQGHBQHSA-N 0 3 288.435 2.273 20 30 CEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccco2)CC1 ZINC000997894291 642330656 /nfs/dbraw/zinc/33/06/56/642330656.db2.gz MBBVLXKKHCMKDV-CQSZACIVSA-N 0 3 274.364 2.229 20 30 CEEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccsn2)CC1 ZINC000998047636 642360410 /nfs/dbraw/zinc/36/04/10/642360410.db2.gz RFWRXBRXLXDDNL-CYBMUJFWSA-N 0 3 291.420 2.093 20 30 CEEDHN CC#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000998083038 642363585 /nfs/dbraw/zinc/36/35/85/642363585.db2.gz JWYKVSLJOROIND-OWCLPIDISA-N 0 3 276.424 2.369 20 30 CEEDHN CCC(=O)N(C)C1CC(NCc2ccc(C#N)cc2F)C1 ZINC000998321474 642385863 /nfs/dbraw/zinc/38/58/63/642385863.db2.gz NWGVAFDBAUVFCN-UHFFFAOYSA-N 0 3 289.354 2.186 20 30 CEEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cncs2)C1 ZINC000998504082 642414091 /nfs/dbraw/zinc/41/40/91/642414091.db2.gz XOMYTZKIUMDXMI-UHFFFAOYSA-N 0 3 285.800 2.088 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)[C@H]3CC3(C)C)CC2)CC1 ZINC001000119255 642535583 /nfs/dbraw/zinc/53/55/83/642535583.db2.gz MDSHJCFAUMIASC-CQSZACIVSA-N 0 3 274.408 2.027 20 30 CEEDHN CC(C)[C@H](O)CNCc1cc(C#N)ccc1Br ZINC000921749779 642578488 /nfs/dbraw/zinc/57/84/88/642578488.db2.gz MDWRGVUVEKDVQP-CYBMUJFWSA-N 0 3 297.196 2.427 20 30 CEEDHN C=CCN1CC=C(CNC(=O)c2ccc(F)cc2)CC1 ZINC001000376274 642596217 /nfs/dbraw/zinc/59/62/17/642596217.db2.gz UMEGPDUSPLFVJB-UHFFFAOYSA-N 0 3 274.339 2.374 20 30 CEEDHN C=CCN1CC=C(CNC(=O)[C@H]2CC=CCC2)CC1 ZINC001000432296 642605283 /nfs/dbraw/zinc/60/52/83/642605283.db2.gz HNLZWIPNJQZNNF-HNNXBMFYSA-N 0 3 260.381 2.277 20 30 CEEDHN C#C[C@H](NCc1ccc(C(=O)OCC)[nH]1)C(C)(C)C ZINC000877534174 650773093 /nfs/dbraw/zinc/77/30/93/650773093.db2.gz AGWYGHQYYHLKTC-ZDUSSCGKSA-N 0 3 262.353 2.329 20 30 CEEDHN CC#CCN1CCC(CNC(=O)c2ccc(C)o2)CC1 ZINC001001167598 642692727 /nfs/dbraw/zinc/69/27/27/642692727.db2.gz LPBUCWXQUHXSSH-UHFFFAOYSA-N 0 3 274.364 2.053 20 30 CEEDHN C#CCN1CCC(CNC(=O)[C@H]2CCC[C@@H]2C(F)F)CC1 ZINC001001476539 642725644 /nfs/dbraw/zinc/72/56/44/642725644.db2.gz MZDQGUWFMUVKEX-KBPBESRZSA-N 0 3 298.377 2.129 20 30 CEEDHN C#CCN1CCC(CNC(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC001001813686 642739617 /nfs/dbraw/zinc/73/96/17/642739617.db2.gz OVPAERUQOQWIMF-NVXWUHKLSA-N 0 3 274.408 2.028 20 30 CEEDHN C#CCN1CCC(CNC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001001856624 642740550 /nfs/dbraw/zinc/74/05/50/642740550.db2.gz QOEXVHSMBLHVAT-HZPDHXFCSA-N 0 3 276.424 2.130 20 30 CEEDHN C#CCN1CCC(CNC(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC001001989166 642749086 /nfs/dbraw/zinc/74/90/86/642749086.db2.gz OYFPAYGBVYVFQO-IRXDYDNUSA-N 0 3 288.435 2.274 20 30 CEEDHN C#CCN1CCC(CNC(=O)[C@H]2CC3CCC2CC3)CC1 ZINC001002154701 642755775 /nfs/dbraw/zinc/75/57/75/642755775.db2.gz ILGHHORHFDMKOS-PREGVCBESA-N 0 3 288.435 2.274 20 30 CEEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCF)c1 ZINC000850757635 642776080 /nfs/dbraw/zinc/77/60/80/642776080.db2.gz NLVLVNDVSUJYKN-LBPRGKRZSA-N 0 3 262.284 2.392 20 30 CEEDHN C=CCN1CCC(NC(=O)Nc2ccc(N)c(C)c2)CC1 ZINC000850780467 642785094 /nfs/dbraw/zinc/78/50/94/642785094.db2.gz XYEDWINFTNLKRZ-UHFFFAOYSA-N 0 3 288.395 2.349 20 30 CEEDHN C#CCN(C(=O)N1CCc2ccccc21)C1CCN(C)CC1 ZINC000922021682 642846163 /nfs/dbraw/zinc/84/61/63/642846163.db2.gz CDEYYHRZHKTQNP-UHFFFAOYSA-N 0 3 297.402 2.199 20 30 CEEDHN COC[C@@H](OC)C(=O)C(C#N)c1nccc2ccccc21 ZINC000850986875 642866543 /nfs/dbraw/zinc/86/65/43/642866543.db2.gz SUXIBISZQZUVNM-ZIAGYGMSSA-N 0 3 284.315 2.072 20 30 CEEDHN C=CCC[C@H](CO)NCc1nccc2c1CCCC2 ZINC000922167225 642930404 /nfs/dbraw/zinc/93/04/04/642930404.db2.gz OBFJTSHCGHWDCB-CQSZACIVSA-N 0 3 260.381 2.377 20 30 CEEDHN C#CCC1(NC(=O)NC[C@@H]2CCCCN2C2CC2)CCC1 ZINC000922204796 642955407 /nfs/dbraw/zinc/95/54/07/642955407.db2.gz HKJABOFXOXBHJX-HNNXBMFYSA-N 0 3 289.423 2.249 20 30 CEEDHN Cc1cc(C)cc(CCN2CC[C@@](O)(CC#N)C2)c1 ZINC000877605826 650811131 /nfs/dbraw/zinc/81/11/31/650811131.db2.gz KBCRZOQERRPOCP-INIZCTEOSA-N 0 3 258.365 2.196 20 30 CEEDHN C#CCOCCN(CCC)C[C@@H]1COc2ccccc2O1 ZINC000851726487 643128714 /nfs/dbraw/zinc/12/87/14/643128714.db2.gz QQHDTQIPZRLKKH-OAHLLOKOSA-N 0 3 289.375 2.188 20 30 CEEDHN C#CCOCCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000851748443 643143568 /nfs/dbraw/zinc/14/35/68/643143568.db2.gz NPGIKMZWGFZOKB-HNNXBMFYSA-N 0 3 287.359 2.245 20 30 CEEDHN C#CCOCCN1CCSC[C@@H]1c1ccccc1 ZINC000851775683 643155176 /nfs/dbraw/zinc/15/51/76/643155176.db2.gz XPCGDAWHXOKXJE-OAHLLOKOSA-N 0 3 261.390 2.426 20 30 CEEDHN CC(C)CNC(=O)CCCN(CCC#N)CC(C)C ZINC000851777752 643156947 /nfs/dbraw/zinc/15/69/47/643156947.db2.gz BGVQSIVTZFYYDP-UHFFFAOYSA-N 0 3 267.417 2.410 20 30 CEEDHN C#CCOCCN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000851806326 643173141 /nfs/dbraw/zinc/17/31/41/643173141.db2.gz NEHLQVCBKOKDHE-KRWDZBQOSA-N 0 3 299.370 2.465 20 30 CEEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(C)=O)CC1 ZINC001004295061 643193205 /nfs/dbraw/zinc/19/32/05/643193205.db2.gz VCPYUHTVOMBVRL-CQSZACIVSA-N 0 3 270.804 2.462 20 30 CEEDHN Cc1cc(CNCC(C)(C)CS(C)(=O)=O)ccc1C#N ZINC000922739420 643233523 /nfs/dbraw/zinc/23/35/23/643233523.db2.gz MKLGDOMOXGVTJR-UHFFFAOYSA-N 0 3 294.420 2.027 20 30 CEEDHN C#C[C@@H]([NH2+]Cc1ccc(C)cc1[O-])C1CCOCC1 ZINC000877638319 650828437 /nfs/dbraw/zinc/82/84/37/650828437.db2.gz WKSWMIXMBSFDDS-OAHLLOKOSA-N 0 3 259.349 2.219 20 30 CEEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000852098099 643300894 /nfs/dbraw/zinc/30/08/94/643300894.db2.gz FNCYEGZTVITOMK-DYVFJYSZSA-N 0 3 290.382 2.264 20 30 CEEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000852099067 643301551 /nfs/dbraw/zinc/30/15/51/643301551.db2.gz CSRPFFXFRXUBLO-MLGOLLRUSA-N 0 3 290.432 2.413 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)NCCCc1ccccc1 ZINC000852098903 643301874 /nfs/dbraw/zinc/30/18/74/643301874.db2.gz YVSQXLIRIVISBB-QGZVFWFLSA-N 0 3 272.392 2.127 20 30 CEEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1OC ZINC000852098820 643302211 /nfs/dbraw/zinc/30/22/11/643302211.db2.gz WXKANOUYNNXWTL-CXAGYDPISA-N 0 3 288.391 2.091 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)NCCC1CCCCC1 ZINC000852101438 643305918 /nfs/dbraw/zinc/30/59/18/643305918.db2.gz FJAQBEKATMOVKH-MRXNPFEDSA-N 0 3 264.413 2.465 20 30 CEEDHN C#C[C@@](C)(CC)NCC(=O)NCc1ccc(Cl)cc1 ZINC000852102483 643306992 /nfs/dbraw/zinc/30/69/92/643306992.db2.gz YFWQCELQRHKUGI-HNNXBMFYSA-N 0 3 278.783 2.348 20 30 CEEDHN C#C[C@](C)(CC)NCC(=O)NCc1sccc1C ZINC000852103021 643307600 /nfs/dbraw/zinc/30/76/00/643307600.db2.gz VZSCVYOOPRVMMD-CQSZACIVSA-N 0 3 264.394 2.064 20 30 CEEDHN C[C@H]1CCN(Cc2cc(C#N)ccc2N(C)C)C[C@H]1CO ZINC000877645975 650832232 /nfs/dbraw/zinc/83/22/32/650832232.db2.gz CLASTELMHUMPRI-BBRMVZONSA-N 0 3 287.407 2.075 20 30 CEEDHN C#CCOCCN1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000852217241 643357167 /nfs/dbraw/zinc/35/71/67/643357167.db2.gz XLXMBHGOAVSTMZ-KBPBESRZSA-N 0 3 296.411 2.014 20 30 CEEDHN C#CCN(CCO[C@H]1CCOC1)[C@@H]1CCc2ccccc21 ZINC000929334486 643378374 /nfs/dbraw/zinc/37/83/74/643378374.db2.gz ORWSCSQEYYTNLZ-FUHWJXTLSA-N 0 3 285.387 2.415 20 30 CEEDHN N#CC[C@H]1CCCN(C[C@@H](O)c2ccc(F)cc2)C1 ZINC000852319954 643393129 /nfs/dbraw/zinc/39/31/29/643393129.db2.gz UCUADVACNJCWRF-IUODEOHRSA-N 0 3 262.328 2.485 20 30 CEEDHN C#CCCCN[C@@H](CC)c1nnc2n1CCCCC2 ZINC000852627947 643491903 /nfs/dbraw/zinc/49/19/03/643491903.db2.gz NCMQAXHGSMLGAG-ZDUSSCGKSA-N 0 3 260.385 2.459 20 30 CEEDHN C#CCCCN[C@H](CC)c1nnc2n1CCCCC2 ZINC000852627946 643492508 /nfs/dbraw/zinc/49/25/08/643492508.db2.gz NCMQAXHGSMLGAG-CYBMUJFWSA-N 0 3 260.385 2.459 20 30 CEEDHN C#Cc1ccc(CN2CCCC[C@@H]2CNC(C)=O)cc1 ZINC000877675525 650845400 /nfs/dbraw/zinc/84/54/00/650845400.db2.gz SJTHHJRGXNOLCG-QGZVFWFLSA-N 0 3 270.376 2.159 20 30 CEEDHN C#CCCN(CCOC)CCOc1cccc(C)c1 ZINC000852752705 643537987 /nfs/dbraw/zinc/53/79/87/643537987.db2.gz IGRQAFQMJJRUCQ-UHFFFAOYSA-N 0 3 261.365 2.346 20 30 CEEDHN CCOC(=O)[C@@H]1CN(C[C@H](C)CCC#N)CCC1(F)F ZINC000877696062 650854648 /nfs/dbraw/zinc/85/46/48/650854648.db2.gz JCXIORZGVGZBSW-NEPJUHHUSA-N 0 3 288.338 2.447 20 30 CEEDHN C#C[C@@H](NC[C@@H](O)c1c(F)cccc1F)C1CCOCC1 ZINC000853115836 643664107 /nfs/dbraw/zinc/66/41/07/643664107.db2.gz MTCROUNXVYGZFL-HUUCEWRRSA-N 0 3 295.329 2.016 20 30 CEEDHN C=CCN1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC000923541508 643757283 /nfs/dbraw/zinc/75/72/83/643757283.db2.gz GVIIDPDRWFXRFI-KBPBESRZSA-N 0 3 258.365 2.155 20 30 CEEDHN N#CC[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000853526661 643801312 /nfs/dbraw/zinc/80/13/12/643801312.db2.gz VUAYQIGCALWMEF-NSHDSACASA-N 0 3 274.320 2.247 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H](CCC)C1CCC1 ZINC000838622222 643980532 /nfs/dbraw/zinc/98/05/32/643980532.db2.gz QHYWETWNUWRMBZ-HNNXBMFYSA-N 0 3 279.428 2.210 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)C1CC1 ZINC000838803097 644016951 /nfs/dbraw/zinc/01/69/51/644016951.db2.gz WYCMHHCRESKDMC-INIZCTEOSA-N 0 3 256.349 2.317 20 30 CEEDHN CC(C)C#CC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000854470041 644064230 /nfs/dbraw/zinc/06/42/30/644064230.db2.gz DITCEDVSBVOCBO-OAHLLOKOSA-N 0 3 276.355 2.204 20 30 CEEDHN N#Cc1ccc(N2CCN(CCC[C@H]3CCO3)CC2)cc1 ZINC000877745351 650891971 /nfs/dbraw/zinc/89/19/71/650891971.db2.gz QYSOPFBPPPYYSX-KRWDZBQOSA-N 0 3 285.391 2.249 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC000854664147 644122076 /nfs/dbraw/zinc/12/20/76/644122076.db2.gz NYWSKSYDTMRYRY-ZWKOTPCHSA-N 0 3 298.430 2.478 20 30 CEEDHN C[C@H](CCC#N)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000839491396 644239447 /nfs/dbraw/zinc/23/94/47/644239447.db2.gz WDRYHJWYLDTZFN-KGLIPLIRSA-N 0 3 263.385 2.156 20 30 CEEDHN N#Cc1ccc2c(c1)C[C@H](NCc1cc(F)ncc1F)C2 ZINC000877767278 650903408 /nfs/dbraw/zinc/90/34/08/650903408.db2.gz XXPXFVJGPQIZNN-CQSZACIVSA-N 0 3 285.297 2.488 20 30 CEEDHN C[C@]1(CCCO)CCCN1Cc1cncc(C#N)c1 ZINC000930160441 644269209 /nfs/dbraw/zinc/26/92/09/644269209.db2.gz PHFZXSLFAVOIQD-OAHLLOKOSA-N 0 3 259.353 2.080 20 30 CEEDHN C[C@@H]1COCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000754381402 644365467 /nfs/dbraw/zinc/36/54/67/644365467.db2.gz BNCZRJUJAUSNRO-ZDUSSCGKSA-N 0 3 260.337 2.057 20 30 CEEDHN C[C@H]1CN(C2CC2)CC1N=Nc1cccc([N+](=O)[O-])c1 ZINC000755872793 644574643 /nfs/dbraw/zinc/57/46/43/644574643.db2.gz VHIWCFCMENDWQD-JTQLQIEISA-N 0 3 274.324 2.477 20 30 CEEDHN Cn1cc(CNCC(C)(C)CCC#N)c(Cl)n1 ZINC000856787398 644724926 /nfs/dbraw/zinc/72/49/26/644724926.db2.gz BBZUODYVACZPCS-UHFFFAOYSA-N 0 3 254.765 2.493 20 30 CEEDHN C#CCN(C(=O)CN1[C@@H](C)CC[C@@H]1C)C1CCCC1 ZINC000757180003 644740168 /nfs/dbraw/zinc/74/01/68/644740168.db2.gz QTSOQTNGSPNJEA-KBPBESRZSA-N 0 3 262.397 2.264 20 30 CEEDHN C#CCCCNCc1ncc(Br)cc1F ZINC000858147028 645073962 /nfs/dbraw/zinc/07/39/62/645073962.db2.gz FXFVWCMJFBILCN-UHFFFAOYSA-N 0 3 271.133 2.486 20 30 CEEDHN C#CC[C@@H](CCOC)NCc1cc(OC)ccc1OC ZINC000858331851 645120793 /nfs/dbraw/zinc/12/07/93/645120793.db2.gz IPRMNTQWTUKNJR-AWEZNQCLSA-N 0 3 277.364 2.222 20 30 CEEDHN N#CC(C(=O)c1cccc(C2OCCO2)c1)c1ccncn1 ZINC000760337580 645141021 /nfs/dbraw/zinc/14/10/21/645141021.db2.gz AOGVIOSOYCTKHY-CYBMUJFWSA-N 0 3 295.298 2.012 20 30 CEEDHN CC(C)CCO[C@H](C)C(=O)C(C#N)c1ccncn1 ZINC000760342932 645142457 /nfs/dbraw/zinc/14/24/57/645142457.db2.gz ZILFBULHPMSCIX-VXGBXAGGSA-N 0 3 261.325 2.104 20 30 CEEDHN C=C(C)CN1CCC(Nc2nccnc2F)CC1 ZINC000858398652 645144082 /nfs/dbraw/zinc/14/40/82/645144082.db2.gz CUULDXDTKXUOBC-UHFFFAOYSA-N 0 3 250.321 2.068 20 30 CEEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H]2C[C@@H]21 ZINC000761093824 645238156 /nfs/dbraw/zinc/23/81/56/645238156.db2.gz ZXYQCSORLRFLCC-OLZOCXBDSA-N 0 3 258.321 2.040 20 30 CEEDHN COCC#CCN1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000762925945 645481092 /nfs/dbraw/zinc/48/10/92/645481092.db2.gz KFBWYJXCZMERNJ-SJORKVTESA-N 0 3 273.376 2.224 20 30 CEEDHN COCC#CCN1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000762927800 645482297 /nfs/dbraw/zinc/48/22/97/645482297.db2.gz WILWFIUQMXCFCO-DLBZAZTESA-N 0 3 291.366 2.363 20 30 CEEDHN COc1ccc([C@H](C)NCCO[C@@H](C)C#N)c(OC)c1 ZINC000859631794 645546405 /nfs/dbraw/zinc/54/64/05/645546405.db2.gz SQGRVIHGXHTQJI-RYUDHWBXSA-N 0 3 278.352 2.283 20 30 CEEDHN N#Cc1cccc(C2(NC[C@H]3CC4(CC4)C(=O)O3)CC2)c1 ZINC000763729489 645571090 /nfs/dbraw/zinc/57/10/90/645571090.db2.gz GOGNAZAXKJYHMI-CQSZACIVSA-N 0 3 282.343 2.233 20 30 CEEDHN C[C@@H](CN(C)CC(=O)NCCC#N)C1CCCCC1 ZINC000859862756 645636927 /nfs/dbraw/zinc/63/69/27/645636927.db2.gz QXJTWJUCXVOARF-ZDUSSCGKSA-N 0 3 265.401 2.164 20 30 CEEDHN C#CCN(C(=O)CN(C)CCCCCC)C1CC1 ZINC000764446106 645641423 /nfs/dbraw/zinc/64/14/23/645641423.db2.gz GSSMNYDGMCJGCN-UHFFFAOYSA-N 0 3 250.386 2.123 20 30 CEEDHN C=CCNC(=O)CN1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859931820 645658119 /nfs/dbraw/zinc/65/81/19/645658119.db2.gz WJSSNYWOLFEQGQ-HRCADAONSA-N 0 3 270.376 2.024 20 30 CEEDHN COC1CC(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)C1 ZINC000860469797 645800233 /nfs/dbraw/zinc/80/02/33/645800233.db2.gz URTDZVMRCFJEMF-UXUKBGGZSA-N 0 3 286.331 2.067 20 30 CEEDHN C=CC[C@H](C(=O)OC)N1CCCC[C@@H](SC)C1 ZINC000878287225 651053438 /nfs/dbraw/zinc/05/34/38/651053438.db2.gz RQLQLECSTRYZTC-VXGBXAGGSA-N 0 3 257.399 2.322 20 30 CEEDHN C=C(C)C(C)(C)C(=O)OC[C@@H]1CCCN1CCOC ZINC000861038109 645987383 /nfs/dbraw/zinc/98/73/83/645987383.db2.gz XMBXLTMYHRVGRJ-ZDUSSCGKSA-N 0 3 269.385 2.243 20 30 CEEDHN C#C[C@@H](C)N(C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000769978045 646341466 /nfs/dbraw/zinc/34/14/66/646341466.db2.gz ODNRMFNZXHJGQA-CYBMUJFWSA-N 0 3 285.343 2.434 20 30 CEEDHN C#CC[C@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC000862566538 646505256 /nfs/dbraw/zinc/50/52/56/646505256.db2.gz PEDGAONKHRIARR-HNNXBMFYSA-N 0 3 264.413 2.370 20 30 CEEDHN C#CCN1CCC(C(=O)NC(CC)(C2CC2)C2CC2)CC1 ZINC000862686810 646542900 /nfs/dbraw/zinc/54/29/00/646542900.db2.gz WGVZPXAZYBGWJM-UHFFFAOYSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCC(C)(C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000863032193 646619079 /nfs/dbraw/zinc/61/90/79/646619079.db2.gz MXTXCCKHSWJHDR-CQSZACIVSA-N 0 3 262.397 2.169 20 30 CEEDHN O=C(C#Cc1ccccc1)NC[C@H]1CCN1C1CCCC1 ZINC000863034887 646620433 /nfs/dbraw/zinc/62/04/33/646620433.db2.gz OWKXOEDXKCCJOK-QGZVFWFLSA-N 0 3 282.387 2.171 20 30 CEEDHN CCOC(=O)c1cc(C=NNc2ccnc(C)c2)[nH]c1C ZINC000863159120 646658753 /nfs/dbraw/zinc/65/87/53/646658753.db2.gz DSXFPXSGAXVDNS-UHFFFAOYSA-N 0 3 286.335 2.071 20 30 CEEDHN CCN(CC)c1ccc(C=NNC(COC)COC)cc1 ZINC000863198736 646670398 /nfs/dbraw/zinc/67/03/98/646670398.db2.gz SJPUYCNHAMBIJO-UHFFFAOYSA-N 0 3 293.411 2.118 20 30 CEEDHN C=CCCCC(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000863492378 646743278 /nfs/dbraw/zinc/74/32/78/646743278.db2.gz UPDJFKNSOKNJEH-UHFFFAOYSA-N 0 3 294.439 2.446 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774484097 646852946 /nfs/dbraw/zinc/85/29/46/646852946.db2.gz RWBPMTWILGVHEK-QWHCGFSZSA-N 0 3 275.396 2.094 20 30 CEEDHN C#C[C@H](N[C@H](COC)Cc1ccccc1)[C@H]1CCCO1 ZINC000775571886 646967672 /nfs/dbraw/zinc/96/76/72/646967672.db2.gz MAGRPLVIXMLHGU-YESZJQIVSA-N 0 3 273.376 2.015 20 30 CEEDHN C=CCCC[C@@H](C)NCc1cn(C[C@@H]2CCCO2)nn1 ZINC000865522270 647337731 /nfs/dbraw/zinc/33/77/31/647337731.db2.gz NAIQHZRHRWQMET-HIFRSBDPSA-N 0 3 278.400 2.292 20 30 CEEDHN C=CCN1CCC(Nc2nc3cnccc3n2C)CC1 ZINC000865522617 647338715 /nfs/dbraw/zinc/33/87/15/647338715.db2.gz UYDNDKCUVHLJPP-UHFFFAOYSA-N 0 3 271.368 2.031 20 30 CEEDHN C=CC[C@H](CO)NCc1ccc(OC(F)F)cc1F ZINC000865527328 647341703 /nfs/dbraw/zinc/34/17/03/647341703.db2.gz JPCIECFCKVFKPU-SNVBAGLBSA-N 0 3 275.270 2.454 20 30 CEEDHN N#CCC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000782088361 647588141 /nfs/dbraw/zinc/58/81/41/647588141.db2.gz IYJIOXAUTVPTJP-OAHLLOKOSA-N 0 3 289.335 2.254 20 30 CEEDHN C[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccccc1[O-] ZINC000783508197 647722061 /nfs/dbraw/zinc/72/20/61/647722061.db2.gz IIHYHUXKLNIFGV-LBPRGKRZSA-N 0 3 259.353 2.031 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1c2cc(F)ccc2CC[C@@H]1C ZINC000866327211 647738303 /nfs/dbraw/zinc/73/83/03/647738303.db2.gz XGDXRLFYSYANGJ-ZBEGNZNMSA-N 0 3 276.355 2.341 20 30 CEEDHN Cc1cc([C@H](C)N[C@H]2Cc3ccc(C#N)cc3C2)nn1C ZINC000866617695 647844353 /nfs/dbraw/zinc/84/43/53/647844353.db2.gz NRSOTSNPVZVOMC-LRDDRELGSA-N 0 3 280.375 2.418 20 30 CEEDHN Cc1cc([C@@H](C)N[C@@H]2Cc3ccc(C#N)cc3C2)nn1C ZINC000866617696 647844590 /nfs/dbraw/zinc/84/45/90/647844590.db2.gz NRSOTSNPVZVOMC-MLGOLLRUSA-N 0 3 280.375 2.418 20 30 CEEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CC1(C)C ZINC000787066537 648070211 /nfs/dbraw/zinc/07/02/11/648070211.db2.gz NMJJTIBIZCCUQP-KBPBESRZSA-N 0 3 284.359 2.400 20 30 CEEDHN CN1CCc2cc(C=NN[C@H](CO)c3ccccc3)ccc21 ZINC000788456385 648188933 /nfs/dbraw/zinc/18/89/33/648188933.db2.gz AACPHPILFJPEAA-QGZVFWFLSA-N 0 3 295.386 2.336 20 30 CEEDHN CC(C)[C@@H]1CN(C(=O)c2ccc3c(C#N)c[nH]c3c2)CCN1 ZINC000869331783 648417762 /nfs/dbraw/zinc/41/77/62/648417762.db2.gz YEJSJAIASWXXTN-INIZCTEOSA-N 0 3 296.374 2.110 20 30 CEEDHN COCCCNN=C1CCCC[C@H]1N1CCCCC1 ZINC000794541483 648881211 /nfs/dbraw/zinc/88/12/11/648881211.db2.gz OEJFHKRFSWAZKZ-OAHLLOKOSA-N 0 3 267.417 2.397 20 30 CEEDHN CCN(C)c1ccc(C(C)=NNCCCOC)cc1 ZINC000794543325 648881976 /nfs/dbraw/zinc/88/19/76/648881976.db2.gz DJVZOIKAMFBTNT-UHFFFAOYSA-N 0 3 263.385 2.493 20 30 CEEDHN CN1CCN(C(=O)c2cscc2C#N)CCC1(C)C ZINC000871158281 649018836 /nfs/dbraw/zinc/01/88/36/649018836.db2.gz WDQUUIAQNZLDBJ-UHFFFAOYSA-N 0 3 277.393 2.176 20 30 CEEDHN CC(C)(O)C[C@H](O)CN[C@H](CCC#N)c1ccccc1 ZINC000872204969 649315002 /nfs/dbraw/zinc/31/50/02/649315002.db2.gz LZWOVSOHQIVBRL-LSDHHAIUSA-N 0 3 276.380 2.143 20 30 CEEDHN C=CC(C)(C)CCCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000872927470 649512687 /nfs/dbraw/zinc/51/26/87/649512687.db2.gz SZBRARUJNKAKTB-CYBMUJFWSA-N 0 3 267.417 2.372 20 30 CEEDHN C#CCCCCNCc1cn(Cc2ccc(OC)cc2)nn1 ZINC000873076666 649553407 /nfs/dbraw/zinc/55/34/07/649553407.db2.gz VRKAOERXNUIPRT-UHFFFAOYSA-N 0 3 298.390 2.228 20 30 CEEDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(F)c(C#N)c1 ZINC000874829947 649844013 /nfs/dbraw/zinc/84/40/13/649844013.db2.gz OSLUSBYPXLPTOT-GJZGRUSLSA-N 0 3 287.338 2.006 20 30 CEEDHN C=CCOCCN1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879222800 651263518 /nfs/dbraw/zinc/26/35/18/651263518.db2.gz LZJIHNKVQIDVCZ-CHWSQXEVSA-N 0 3 284.400 2.177 20 30 CEEDHN COc1ccc([C@H]2CN(Cc3ccc(C#N)o3)CCN2)cc1 ZINC000879521656 651315530 /nfs/dbraw/zinc/31/55/30/651315530.db2.gz AEZZUDDBYVQWGS-QGZVFWFLSA-N 0 3 297.358 2.306 20 30 CEEDHN CC1(C)C[C@@H](O)CN(CCOc2cccc(C#N)c2)C1 ZINC000879617501 651330256 /nfs/dbraw/zinc/33/02/56/651330256.db2.gz KFOPINDEOPICLX-CQSZACIVSA-N 0 3 274.364 2.030 20 30 CEEDHN CC(C)(O)[C@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000880147802 651392895 /nfs/dbraw/zinc/39/28/95/651392895.db2.gz JGXWPAKMIQJCCT-AWEZNQCLSA-N 0 3 261.340 2.270 20 30 CEEDHN C#CCC1(O)CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000880478956 651447975 /nfs/dbraw/zinc/44/79/75/651447975.db2.gz IKTOJDLOSHNTBR-AWEZNQCLSA-N 0 3 268.360 2.469 20 30 CEEDHN C#CC[C@H](CO)NCc1ccc(OCCCC)c(OC)c1 ZINC000883123362 652369355 /nfs/dbraw/zinc/36/93/55/652369355.db2.gz VJVJHVYKFNLKER-OAHLLOKOSA-N 0 3 291.391 2.348 20 30 CEEDHN C=CCC[C@H](COc1ccccc1)NCCS(C)(=O)=O ZINC000883180730 652391368 /nfs/dbraw/zinc/39/13/68/652391368.db2.gz JADUBKJQQDFVFH-CQSZACIVSA-N 0 3 297.420 2.034 20 30 CEEDHN C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000883401539 652457258 /nfs/dbraw/zinc/45/72/58/652457258.db2.gz PHLMXEDKTPUWTO-ZDUSSCGKSA-N 0 3 265.353 2.208 20 30 CEEDHN CCN(C(=O)C1CC2(C1)CNC[C@@H]2C#N)C1CCCCC1 ZINC000884047478 652658613 /nfs/dbraw/zinc/65/86/13/652658613.db2.gz WKRPBQWJTASVAG-UUCFBXCCSA-N 0 3 289.423 2.307 20 30 CEEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc3[nH]ccc3c1)C2 ZINC000884066192 652691563 /nfs/dbraw/zinc/69/15/63/652691563.db2.gz OENCIMUEXTVNOV-UIORMTCPSA-N 0 3 294.358 2.246 20 30 CEEDHN CC(C)C[C@@H]1CCCN1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884080200 652698391 /nfs/dbraw/zinc/69/83/91/652698391.db2.gz NZSROPNIANWUJA-GWUWNPHMSA-N 0 3 289.423 2.163 20 30 CEEDHN C=CCCOC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885478545 653013295 /nfs/dbraw/zinc/01/32/95/653013295.db2.gz RDBNXXNLBXWUKK-LLVKDONJSA-N 0 3 253.342 2.143 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2c(C)noc2CC)CC1 ZINC001006391045 653053296 /nfs/dbraw/zinc/05/32/96/653053296.db2.gz PYVGGGOOBVCOLN-UHFFFAOYSA-N 0 3 291.395 2.268 20 30 CEEDHN C[C@@H]1CN(c2ncnc3ccc(C#N)cc32)[C@H](C)CN1C ZINC001164638744 719170027 /nfs/dbraw/zinc/17/00/27/719170027.db2.gz RKRPEQMNHUTQFM-VXGBXAGGSA-N 0 3 281.363 2.030 20 30 CEEDHN CCc1occc1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001126507825 805627833 /nfs/dbraw/zinc/62/78/33/805627833.db2.gz DJAHXABQQUBGHI-UHFFFAOYSA-N 0 3 297.358 2.233 20 30 CEEDHN C#CCN1CCC(C)(CNC(=O)C(C)(C)C=C)CC1 ZINC001270899551 805667409 /nfs/dbraw/zinc/66/74/09/805667409.db2.gz QMZAQWLARFFKCS-UHFFFAOYSA-N 0 3 262.397 2.050 20 30 CEEDHN C#CCN[C@H](C)c1ccc(CNC(=O)c2cccnc2)cc1 ZINC001280339829 805701007 /nfs/dbraw/zinc/70/10/07/805701007.db2.gz ALAIDXLGMHLSJQ-CQSZACIVSA-N 0 3 293.370 2.295 20 30 CEEDHN C=C[C@H](CC)CC(=O)N1C[C@H]2CN(CC#CC)C[C@@]2(C)C1 ZINC001101338012 805746818 /nfs/dbraw/zinc/74/68/18/805746818.db2.gz USUSHVGHWUPYPW-NUJGCVRESA-N 0 3 288.435 2.392 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(C)C ZINC001029422222 805800788 /nfs/dbraw/zinc/80/07/88/805800788.db2.gz YFEMRLPKOOMCMO-BETUJISGSA-N 0 3 250.386 2.282 20 30 CEEDHN C#CCN1CC[C@@H]2CN(C(=O)c3cscc3C)C[C@@H]2C1 ZINC001087924701 805855651 /nfs/dbraw/zinc/85/56/51/805855651.db2.gz FTNYCXJELSRMDC-KGLIPLIRSA-N 0 3 288.416 2.084 20 30 CEEDHN CC#CCNCCN(Cc1ccccc1)C(=O)CCC ZINC001271789463 806091308 /nfs/dbraw/zinc/09/13/08/806091308.db2.gz 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/nfs/dbraw/zinc/77/86/43/806778643.db2.gz KVTULLBFGZRWPW-ABAIWWIYSA-N 0 3 294.345 2.272 20 30 CEEDHN C=CCN1C[C@@H]2CCN(C(=O)c3nccc4occc43)[C@@H]2C1 ZINC001076075910 806805137 /nfs/dbraw/zinc/80/51/37/806805137.db2.gz UGEKMOAWQJZAHG-GXTWGEPZSA-N 0 3 297.358 2.160 20 30 CEEDHN CC(C)(O)[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000721885164 806900476 /nfs/dbraw/zinc/90/04/76/806900476.db2.gz DYOLPIIDPUEDKP-CYBMUJFWSA-N 0 3 262.328 2.290 20 30 CEEDHN C#CCN1CCC(C2(NC(=O)[C@H](C)CCC)CC2)CC1 ZINC001279352839 802403806 /nfs/dbraw/zinc/40/38/06/802403806.db2.gz MTDLKGCJUMQUJI-CQSZACIVSA-N 0 3 276.424 2.417 20 30 CEEDHN CN(CCCc1cccc(C#N)c1)Cc1cncnc1 ZINC001208854769 802420733 /nfs/dbraw/zinc/42/07/33/802420733.db2.gz UFONPKNRLODXKB-UHFFFAOYSA-N 0 3 266.348 2.413 20 30 CEEDHN N#Cc1cccc(CCCN2CC[C@](O)(C(F)(F)F)C2)c1 ZINC001208845814 802420832 /nfs/dbraw/zinc/42/08/32/802420832.db2.gz SZPRYCGDYKOBTJ-CQSZACIVSA-N 0 3 298.308 2.490 20 30 CEEDHN C=CCOCCN(C)CCNC(=O)[C@H]1CCCC[C@@H]1C ZINC001266313287 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C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1[nH]c(C)nc1C ZINC001085823695 810933925 /nfs/dbraw/zinc/93/39/25/810933925.db2.gz PBAGRUZRRJTBCD-CQSZACIVSA-N 0 3 290.411 2.139 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)n(C)c1C ZINC001085964634 810985968 /nfs/dbraw/zinc/98/59/68/810985968.db2.gz MVSJQHVZFHOUHT-HNNXBMFYSA-N 0 3 289.423 2.364 20 30 CEEDHN CC#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CSC)C1 ZINC001039205956 810999499 /nfs/dbraw/zinc/99/94/99/810999499.db2.gz CESRVLFIJCUQBQ-GJZGRUSLSA-N 0 3 294.464 2.076 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C\C ZINC001039353962 811015850 /nfs/dbraw/zinc/01/58/50/811015850.db2.gz FUPKCAAHKDYRDL-IOHZZBRQSA-N 0 3 260.381 2.041 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(F)CCCC1 ZINC001039397635 811023326 /nfs/dbraw/zinc/02/33/26/811023326.db2.gz SEGJZDMDXNLSIN-CABCVRRESA-N 0 3 292.398 2.357 20 30 CEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncc(C)c1 ZINC001039410304 811024773 /nfs/dbraw/zinc/02/47/73/811024773.db2.gz DDKVJDYADBQFOG-SJORKVTESA-N 0 3 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ZINC001046214335 811710724 /nfs/dbraw/zinc/71/07/24/811710724.db2.gz PQFZQDMCHIVZFK-HNNXBMFYSA-N 0 3 276.405 2.274 20 30 CEEDHN CC(C)=CCN1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046247456 811721389 /nfs/dbraw/zinc/72/13/89/811721389.db2.gz FUZMNOYZFVPMDY-MRXNPFEDSA-N 0 3 286.379 2.047 20 30 CEEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc[nH]c2CC)C1 ZINC001046284693 811730225 /nfs/dbraw/zinc/73/02/25/811730225.db2.gz WGFGMJQCVRAIBL-MRXNPFEDSA-N 0 3 275.396 2.347 20 30 CEEDHN C#CCCN1CC[C@](C)(NC(=O)c2cccc(C(C)C)n2)C1 ZINC001046452582 811757575 /nfs/dbraw/zinc/75/75/75/811757575.db2.gz XLPBDENWMADMSZ-SFHVURJKSA-N 0 3 299.418 2.423 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001046510915 811765864 /nfs/dbraw/zinc/76/58/64/811765864.db2.gz ZAMRPXDOXOFCFI-LISAXSMJSA-N 0 3 288.435 2.417 20 30 CEEDHN C=CCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(F)F)C2 ZINC001108859211 811779193 /nfs/dbraw/zinc/77/91/93/811779193.db2.gz MZKFNDSDYXROAZ-WOPDTQHZSA-N 0 3 272.339 2.329 20 30 CEEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001046592073 811780476 /nfs/dbraw/zinc/78/04/76/811780476.db2.gz IFVWHCXJUHUUKT-AEFFLSMTSA-N 0 3 284.403 2.483 20 30 CEEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001046638652 811789434 /nfs/dbraw/zinc/78/94/34/811789434.db2.gz ZFPLIENAGRMTLL-BFYDXBDKSA-N 0 3 276.424 2.273 20 30 CEEDHN C=CCCN1CC[C@](C)(NC(=O)c2cc(Cl)no2)C1 ZINC001046790221 811818621 /nfs/dbraw/zinc/81/86/21/811818621.db2.gz ASADLVIWOKCBBS-ZDUSSCGKSA-N 0 3 283.759 2.098 20 30 CEEDHN C=CCN1CC[C@](C)(NC(=O)C2CCC=CCC2)C1 ZINC001046832481 811823990 /nfs/dbraw/zinc/82/39/90/811823990.db2.gz XAJGCTMCIWDREL-INIZCTEOSA-N 0 3 262.397 2.499 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109260762 811852960 /nfs/dbraw/zinc/85/29/60/811852960.db2.gz NAIULDTVXASZKA-ILXRZTDVSA-N 0 3 274.408 2.334 20 30 CEEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)CC)C2)CC1 ZINC001047217641 811869272 /nfs/dbraw/zinc/86/92/72/811869272.db2.gz WRWNIDVREMBSFO-MRXNPFEDSA-N 0 3 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CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C(C)(F)F ZINC001049729372 812201158 /nfs/dbraw/zinc/20/11/58/812201158.db2.gz VKSGFFUPHAHKCU-HZSPNIEDSA-N 0 3 298.377 2.366 20 30 CEEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC12CCC2 ZINC001049756743 812205833 /nfs/dbraw/zinc/20/58/33/812205833.db2.gz XBTUOZZPMCKZKK-RBSFLKMASA-N 0 3 274.408 2.428 20 30 CEEDHN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)C1CC1 ZINC001049923586 812229787 /nfs/dbraw/zinc/22/97/87/812229787.db2.gz VLPOGIDZPPAAPI-FVQBIDKESA-N 0 3 274.408 2.121 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccncc1C)C2 ZINC001097081226 812323740 /nfs/dbraw/zinc/32/37/40/812323740.db2.gz SBHGEYGZSRGSJT-ZACQAIPSSA-N 0 3 299.418 2.230 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC1(F)F)C2 ZINC001097304385 812354658 /nfs/dbraw/zinc/35/46/58/812354658.db2.gz MSZCRKULZULRJL-XQHKEYJVSA-N 0 3 284.350 2.329 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCO[C@H]1CC)C2 ZINC001097568407 812376676 /nfs/dbraw/zinc/37/66/76/812376676.db2.gz GTQGSZKERFGEQX-SUJAAXHWSA-N 0 3 292.423 2.099 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC(F)CC1)C2 ZINC001097791453 812432124 /nfs/dbraw/zinc/43/21/24/812432124.db2.gz RLSXYKGIDRDZGH-PEHJNBARSA-N 0 3 292.398 2.260 20 30 CEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1occc1C)C2 ZINC001097801765 812433574 /nfs/dbraw/zinc/43/35/74/812433574.db2.gz IEMUAVJQVXIORK-KFWWJZLASA-N 0 3 288.391 2.428 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1CCC)C2 ZINC001097807266 812435179 /nfs/dbraw/zinc/43/51/79/812435179.db2.gz KVEACDPJLSLLCC-QCODTGAPSA-N 0 3 274.408 2.167 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)COC)C1 ZINC001097809580 812438120 /nfs/dbraw/zinc/43/81/20/812438120.db2.gz LNLFLMXSKFLLTJ-YJNKXOJESA-N 0 3 292.423 2.099 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)c2cc[nH]c2C2CC2)CC1 ZINC001052664086 812442333 /nfs/dbraw/zinc/44/23/33/812442333.db2.gz GBVBYRHVZCYUPI-OAHLLOKOSA-N 0 3 299.418 2.500 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)[C@H]2CC23CCC3)CC1 ZINC001052754258 812455893 /nfs/dbraw/zinc/45/58/93/812455893.db2.gz LPSZEIDAFCPMDV-LSDHHAIUSA-N 0 3 274.408 2.171 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)CC1 ZINC001052751780 812455921 /nfs/dbraw/zinc/45/59/21/812455921.db2.gz YBEMPWIEQLIKEJ-MRXNPFEDSA-N 0 3 295.386 2.385 20 30 CEEDHN C#CCN1CCC[C@@H](NC(=O)c2ccc(C)cc2)CC1 ZINC001052891524 812472494 /nfs/dbraw/zinc/47/24/94/812472494.db2.gz VRHPMBRALZTTJS-MRXNPFEDSA-N 0 3 270.376 2.213 20 30 CEEDHN Cc1ccc2c(c1)C[C@@H](N1CCN(CCC#N)CC1)CC2 ZINC001172830078 815528784 /nfs/dbraw/zinc/52/87/84/815528784.db2.gz FNVUMSXUVTYMTE-SFHVURJKSA-N 0 3 283.419 2.384 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCO[C@H](C)CC(C)C ZINC001114262362 812488697 /nfs/dbraw/zinc/48/86/97/812488697.db2.gz CFOYGJVUWWIJDX-AIANPOQGSA-N 0 3 294.439 2.060 20 30 CEEDHN CC#CCNCCNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001129840495 812515427 /nfs/dbraw/zinc/51/54/27/812515427.db2.gz GUGBMDVETPVZPE-WKILWMFISA-N 0 3 276.424 2.322 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2ccc(OC(F)F)nc2)C1 ZINC001254644292 812522491 /nfs/dbraw/zinc/52/24/91/812522491.db2.gz RHCPPGCHDYRIAS-GXSJLCMTSA-N 0 3 267.279 2.465 20 30 CEEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccccn1)C2 ZINC001054073810 812530159 /nfs/dbraw/zinc/53/01/59/812530159.db2.gz XYSYLYKLHKVTCN-SFHVURJKSA-N 0 3 297.402 2.033 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1)C2 ZINC001054075785 812530238 /nfs/dbraw/zinc/53/02/38/812530238.db2.gz PZIHXZBVHZMDDO-GOSISDBHSA-N 0 3 282.387 2.248 20 30 CEEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)c1cccnc1)C2 ZINC001054073692 812530930 /nfs/dbraw/zinc/53/09/30/812530930.db2.gz AAJHWVRKNPFYMH-GOSISDBHSA-N 0 3 297.402 2.033 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)SC)C2 ZINC001054117801 812540395 /nfs/dbraw/zinc/54/03/95/812540395.db2.gz WFGQGISUUDWGTP-GOEBONIOSA-N 0 3 294.464 2.076 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCN(C(=O)c1[nH]c(C)cc1C)C2 ZINC001054152554 812544521 /nfs/dbraw/zinc/54/45/21/812544521.db2.gz 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/nfs/dbraw/zinc/67/60/32/812676032.db2.gz QVPZYXCQIDLBRJ-DZGCQCFKSA-N 0 3 287.407 2.230 20 30 CEEDHN C[C@@H](Nc1cccc2[nH]cc(CC#N)c21)[C@@H]1CNCCO1 ZINC001170573387 812692082 /nfs/dbraw/zinc/69/20/82/812692082.db2.gz RPEXIOIMSZQMPS-ABAIWWIYSA-N 0 3 284.363 2.023 20 30 CEEDHN C[C@@H](C#N)OCCN1CCN(Cc2ccccc2)C[C@H]1C ZINC000383069768 812697771 /nfs/dbraw/zinc/69/77/71/812697771.db2.gz KUABRCVXQHEBHB-CVEARBPZSA-N 0 3 287.407 2.121 20 30 CEEDHN C=CCOCCN1C[C@H](NC(=O)C2CCCC2)CC[C@H]1C ZINC001131731117 812712615 /nfs/dbraw/zinc/71/26/15/812712615.db2.gz UWAYKXIXIAKDQT-GDBMZVCRSA-N 0 3 294.439 2.348 20 30 CEEDHN N#CC[C@@H]1CCCN(Cc2ccc(-n3ccnn3)cc2)C1 ZINC001137367039 812717179 /nfs/dbraw/zinc/71/71/79/812717179.db2.gz YZLNBBKUGBABDZ-AWEZNQCLSA-N 0 3 281.363 2.393 20 30 CEEDHN CC#CCNCCNC(=O)c1coc2cc(C)c(C)cc12 ZINC001131828418 812737626 /nfs/dbraw/zinc/73/76/26/812737626.db2.gz PNHCGJQBBKZJKS-UHFFFAOYSA-N 0 3 284.359 2.392 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)CCCCOC)CC[C@@H]1C ZINC001131887678 812747080 /nfs/dbraw/zinc/74/70/80/812747080.db2.gz WMRUDHUTIRXOEB-GJZGRUSLSA-N 0 3 282.428 2.348 20 30 CEEDHN C=CCCC(=O)N[C@H]1CC[C@@H](C)N(CCOC2CCC2)C1 ZINC001131895303 812753925 /nfs/dbraw/zinc/75/39/25/812753925.db2.gz IKJHDCRHRUQOIF-CABCVRRESA-N 0 3 294.439 2.491 20 30 CEEDHN C=CCN1C[C@H](NC(=O)/C(C)=C\CC)CC[C@@H]1C ZINC001131919569 812757859 /nfs/dbraw/zinc/75/78/59/812757859.db2.gz ZTTGQLMXKGFOAI-LPEQCFEDSA-N 0 3 250.386 2.498 20 30 CEEDHN C=CCOCCN1C[C@H](NC(=O)C=C2CCC2)CC[C@@H]1C ZINC001131956018 812763821 /nfs/dbraw/zinc/76/38/21/812763821.db2.gz UBMADHUJXCUUKF-GOEBONIOSA-N 0 3 292.423 2.268 20 30 CEEDHN C=CC(C)(C)C(=O)N1CC[C@H](NC/C=C/Cl)C1 ZINC001265441800 812766953 /nfs/dbraw/zinc/76/69/53/812766953.db2.gz VANFQNVNRBUACG-ZRQQLDRUSA-N 0 3 256.777 2.142 20 30 CEEDHN C#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(CCOC(C)C)C1 ZINC001131996180 812770467 /nfs/dbraw/zinc/77/04/67/812770467.db2.gz RGDBIHXBPLQOLY-HZPDHXFCSA-N 0 3 294.439 2.184 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132017234 812776477 /nfs/dbraw/zinc/77/64/77/812776477.db2.gz NDAMBXKDMVZHCY-LSDHHAIUSA-N 0 3 262.397 2.191 20 30 CEEDHN CCN1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132037613 812777326 /nfs/dbraw/zinc/77/73/26/812777326.db2.gz FOQNRTXTTWVZIK-QWHCGFSZSA-N 0 3 250.386 2.025 20 30 CEEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H](C)c3ccco3)[C@@H]2C1 ZINC001050137901 812788596 /nfs/dbraw/zinc/78/85/96/812788596.db2.gz IQBPPCKAFRKWNM-QLFBSQMISA-N 0 3 288.391 2.492 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)CCc2ccncc2)CC[C@@H]1C ZINC001132150428 812791393 /nfs/dbraw/zinc/79/13/93/812791393.db2.gz RJHYGAMYXSDSJS-HOCLYGCPSA-N 0 3 287.407 2.169 20 30 CEEDHN C=CCOCCN1C[C@H](NC(=O)C2(C)CCC2)CC[C@@H]1C ZINC001132225381 812805394 /nfs/dbraw/zinc/80/53/94/812805394.db2.gz VXHKHSIWEMFYHO-LSDHHAIUSA-N 0 3 294.439 2.348 20 30 CEEDHN CC#CCNCCNC(=O)c1cc(C)c(Cl)cc1C ZINC001132268647 812815063 /nfs/dbraw/zinc/81/50/63/812815063.db2.gz QBTKVFOERRZHHE-UHFFFAOYSA-N 0 3 278.783 2.300 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)c3ccc(C)s3)C2)CC1 ZINC001050412958 812820102 /nfs/dbraw/zinc/82/01/02/812820102.db2.gz LCNUELISKJQGOP-UHFFFAOYSA-N 0 3 288.416 2.228 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)N(CCOCC)C2)C1 ZINC001132287377 812822443 /nfs/dbraw/zinc/82/24/43/812822443.db2.gz GDQCEWDOBRCFDP-HUUCEWRRSA-N 0 3 294.439 2.348 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)c3occc3C)C2)CC1 ZINC001050431960 812823441 /nfs/dbraw/zinc/82/34/41/812823441.db2.gz IYBRLTFGRUTXPL-UHFFFAOYSA-N 0 3 286.375 2.149 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)C(CC)CC)C2)CC1 ZINC001050439572 812824315 /nfs/dbraw/zinc/82/43/15/812824315.db2.gz SGMDFEBNFKREHX-UHFFFAOYSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)c3oc(C)cc3C)C2)CC1 ZINC001050478356 812830605 /nfs/dbraw/zinc/83/06/05/812830605.db2.gz KMOPCDLRPFOJRT-UHFFFAOYSA-N 0 3 286.375 2.068 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)C[C@@H]3CC[C@@H](C)C3)C2)CC1 ZINC001050623857 812843573 /nfs/dbraw/zinc/84/35/73/812843573.db2.gz WODAZGRZJZFFEE-HZPDHXFCSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)c3cccc(C)c3C)C2)CC1 ZINC001050744781 812857090 /nfs/dbraw/zinc/85/70/90/812857090.db2.gz SWSANQMLEZVJBL-UHFFFAOYSA-N 0 3 296.414 2.475 20 30 CEEDHN C#CCN1CCC2(CN(C(=O)c3ccc(C)cc3C)C2)CC1 ZINC001050744358 812857303 /nfs/dbraw/zinc/85/73/03/812857303.db2.gz JYPKVHVUPIZNFG-UHFFFAOYSA-N 0 3 296.414 2.475 20 30 CEEDHN N#Cc1cccc(CNCCNC(=O)CCCC2CC2)c1 ZINC001132600686 812900624 /nfs/dbraw/zinc/90/06/24/812900624.db2.gz SHGQMUIWJOVGEN-UHFFFAOYSA-N 0 3 285.391 2.344 20 30 CEEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H]2CC2(C)C)CC1 ZINC001052317400 812967282 /nfs/dbraw/zinc/96/72/82/812967282.db2.gz IMYCBSPEJGXZFF-KGLIPLIRSA-N 0 3 262.397 2.027 20 30 CEEDHN CC#CCN1CCC[C@H](NC(=O)C2(C)CCC2)CC1 ZINC001052624183 813013224 /nfs/dbraw/zinc/01/32/24/813013224.db2.gz YSPBQMPSNBKTRH-AWEZNQCLSA-N 0 3 262.397 2.171 20 30 CEEDHN CC1(C(=O)NCCNCc2ccc(C#N)cc2)CC=CC1 ZINC001133328179 813028330 /nfs/dbraw/zinc/02/83/30/813028330.db2.gz KMCRWINIOCJSJN-UHFFFAOYSA-N 0 3 283.375 2.120 20 30 CEEDHN C#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1conc1C ZINC001134202134 813233101 /nfs/dbraw/zinc/23/31/01/813233101.db2.gz WEFXXEQIGPXZMN-QWHCGFSZSA-N 0 3 291.395 2.159 20 30 CEEDHN CC#CCNCCNC(=O)C[C@H](C)CCCCC ZINC001134823914 813332784 /nfs/dbraw/zinc/33/27/84/813332784.db2.gz ITXAAIQJGUEFDM-CQSZACIVSA-N 0 3 252.402 2.322 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)c2ccc(F)cc2)CC[C@@H]1C ZINC001071293910 813351202 /nfs/dbraw/zinc/35/12/02/813351202.db2.gz LJSJUBODUTWNIC-XJKSGUPXSA-N 0 3 288.366 2.432 20 30 CEEDHN C=C(C)CN1C[C@H](NC(=O)C2CCC2)CC[C@@H]1C ZINC001071303398 813355580 /nfs/dbraw/zinc/35/55/80/813355580.db2.gz XOLMXHAZRRMKCO-GXTWGEPZSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCN1C[C@@H](NC(=O)Cc2cccs2)CC[C@H]1C ZINC001071318968 813364596 /nfs/dbraw/zinc/36/45/96/813364596.db2.gz HNPYQVGOUBVGER-OLZOCXBDSA-N 0 3 278.421 2.446 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccc[nH]2)CC[C@H]1C ZINC001071343411 813371540 /nfs/dbraw/zinc/37/15/40/813371540.db2.gz XXYNCPDXZQSIPL-OLZOCXBDSA-N 0 3 261.369 2.174 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)CC2CCOCC2)CC[C@@H]1C ZINC001071396482 813390771 /nfs/dbraw/zinc/39/07/71/813390771.db2.gz LZEXUVXFULVFOZ-HOCLYGCPSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccn(C)c2)CC[C@H]1C ZINC001071426752 813402369 /nfs/dbraw/zinc/40/23/69/813402369.db2.gz AJKBYMQXVMKZEH-HIFRSBDPSA-N 0 3 275.396 2.184 20 30 CEEDHN C#CCCN1C[C@H](NC(=O)Cc2ccc(C)o2)CC[C@H]1C ZINC001071439133 813406515 /nfs/dbraw/zinc/40/65/15/813406515.db2.gz XKEHMOBLEAZZQK-UKRRQHHQSA-N 0 3 288.391 2.123 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)C2(C)CC2)CC[C@H]1C ZINC001071522224 813429061 /nfs/dbraw/zinc/42/90/61/813429061.db2.gz QHOBEBBSYHLDMT-OLZOCXBDSA-N 0 3 250.386 2.332 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)Cc2cncs2)CC[C@@H]1C ZINC001071588734 813443284 /nfs/dbraw/zinc/44/32/84/813443284.db2.gz JZZXYWYPDTYFBT-STQMWFEESA-N 0 3 293.436 2.231 20 30 CEEDHN C#Cc1cncc(C(=O)N[C@H]2CC[C@H](C)N(CC(=C)C)C2)c1 ZINC001071813466 813490897 /nfs/dbraw/zinc/49/08/97/813490897.db2.gz 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C#CCN1C[C@@H]2CN(C(=O)[C@@H](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101384808 814254290 /nfs/dbraw/zinc/25/42/90/814254290.db2.gz SWZSCKUWDPCTTF-DAYGRLMNSA-N 0 3 290.451 2.472 20 30 CEEDHN CC#CCN1C[C@@H]2CN(C(=O)CCC3CCC3)C[C@]2(C)C1 ZINC001091575610 814297257 /nfs/dbraw/zinc/29/72/57/814297257.db2.gz ANWSQWQTZRPEKW-AEFFLSMTSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCNCCNC(=O)c1ccc(O[C@@H](C)CC)cc1 ZINC001146852859 814338733 /nfs/dbraw/zinc/33/87/33/814338733.db2.gz BDDRQCQVZHVBPB-AWEZNQCLSA-N 0 3 288.391 2.207 20 30 CEEDHN C=CC[C@@H](NC(=O)Cc1nc[nH]c1C)c1ccncc1 ZINC001147006829 814367366 /nfs/dbraw/zinc/36/73/66/814367366.db2.gz FYDRXZLLXYQWCX-CYBMUJFWSA-N 0 3 270.336 2.089 20 30 CEEDHN CC#CCNCCNC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001147161365 814393880 /nfs/dbraw/zinc/39/38/80/814393880.db2.gz MPMYVJRNBUCJGD-JTQLQIEISA-N 0 3 284.812 2.234 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)[C@H](C)CCC)C2)C1 ZINC001147250633 814405386 /nfs/dbraw/zinc/40/53/86/814405386.db2.gz LOCLPRCNXBWQDJ-CYBMUJFWSA-N 0 3 250.386 2.143 20 30 CEEDHN N#Cc1ccc(CNCCNC(=O)C(C2CC2)C2CC2)cc1 ZINC001147222210 814409837 /nfs/dbraw/zinc/40/98/37/814409837.db2.gz JTTHCNAKBXCWPJ-UHFFFAOYSA-N 0 3 297.402 2.200 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)CCCC)C2)C1 ZINC001147467841 814445601 /nfs/dbraw/zinc/44/56/01/814445601.db2.gz OEXANNYHPHUFIT-OAHLLOKOSA-N 0 3 276.424 2.370 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C(C)(C)C(=C)Cl)C[C@]2(C)C1 ZINC001091701601 814543705 /nfs/dbraw/zinc/54/37/05/814543705.db2.gz DHRFTHFEVYPSJI-CJNGLKHVSA-N 0 3 294.826 2.179 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)CCCC(F)(F)F)C2)C1 ZINC001148327788 814553628 /nfs/dbraw/zinc/55/36/28/814553628.db2.gz TYJWEOCBXYICIK-UHFFFAOYSA-N 0 3 290.329 2.439 20 30 CEEDHN C=C(C)[C@H](CO)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000781978722 814611416 /nfs/dbraw/zinc/61/14/16/814611416.db2.gz SBYVKNIISZKWTM-ZDUSSCGKSA-N 0 3 298.427 2.303 20 30 CEEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CC(F)F)C1 ZINC001111813025 814613407 /nfs/dbraw/zinc/61/34/07/814613407.db2.gz PJCRBFKLXFFDLA-WWGRRREGSA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)/C=C\C3CC3)C2)CC1 ZINC001086910965 814649025 /nfs/dbraw/zinc/64/90/25/814649025.db2.gz GACOCFGDKIWVIN-XHPSBEMXSA-N 0 3 286.419 2.289 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(CC)CC ZINC001115031241 814674929 /nfs/dbraw/zinc/67/49/29/814674929.db2.gz UALONIGALWBCHG-NHAGDIPZSA-N 0 3 250.386 2.045 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC=CCC1)C2 ZINC001095165864 815720251 /nfs/dbraw/zinc/72/02/51/815720251.db2.gz WRNWSASBJWUJJA-FZKCQIBNSA-N 0 3 272.392 2.088 20 30 CEEDHN CCOC(=O)[C@H]1CC12CCC(NCCC#N)CC2 ZINC001173597295 815757185 /nfs/dbraw/zinc/75/71/85/815757185.db2.gz OLMQDCCLTSHXHV-MBHSVXNSSA-N 0 3 250.342 2.002 20 30 CEEDHN C#CCOc1ccc(CN(C)[C@@H]2CCCOC2)cc1OC ZINC001138348646 815772845 /nfs/dbraw/zinc/77/28/45/815772845.db2.gz XGIGKKTULCJTFG-OAHLLOKOSA-N 0 3 289.375 2.318 20 30 CEEDHN C=CCN1CCN(Cc2ccc(-n3ccnc3C)cc2)CC1 ZINC001138547349 815825150 /nfs/dbraw/zinc/82/51/50/815825150.db2.gz LLXBKXNWNJMYOT-UHFFFAOYSA-N 0 3 296.418 2.484 20 30 CEEDHN C=CCc1cccc(C[N@H+]2C[C@@H](O)CC[C@H]2C)c1[O-] ZINC001138624331 815846079 /nfs/dbraw/zinc/84/60/79/815846079.db2.gz DNICKWFGGLICCD-DOMZBBRYSA-N 0 3 261.365 2.466 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c1[O-] ZINC001138624331 815846086 /nfs/dbraw/zinc/84/60/86/815846086.db2.gz DNICKWFGGLICCD-DOMZBBRYSA-N 0 3 261.365 2.466 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CC[C@@]23CCOC3)c1[O-] ZINC001138630862 815849709 /nfs/dbraw/zinc/84/97/09/815849709.db2.gz FQZPBCQEXFXBQR-INIZCTEOSA-N 0 3 259.349 2.486 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CC[C@@]23CCOC3)c1[O-] ZINC001138630862 815849716 /nfs/dbraw/zinc/84/97/16/815849716.db2.gz FQZPBCQEXFXBQR-INIZCTEOSA-N 0 3 259.349 2.486 20 30 CEEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cscc1C)C2 ZINC001095283869 815928429 /nfs/dbraw/zinc/92/84/29/815928429.db2.gz XHGMIJSPLLCSFY-SNPRPXQTSA-N 0 3 288.416 2.415 20 30 CEEDHN COC(=O)c1ccc(Nc2ccncc2C)c(C#N)c1 ZINC001174538579 816024174 /nfs/dbraw/zinc/02/41/74/816024174.db2.gz LEOOLYKJKLUTTC-UHFFFAOYSA-N 0 3 267.288 2.214 20 30 CEEDHN CCN1C[C@@H]2C[C@H]1CN2Cc1cccc(Cl)c1C#N ZINC001139692779 816085942 /nfs/dbraw/zinc/08/59/42/816085942.db2.gz IZEUZCYPJNIFLP-STQMWFEESA-N 0 3 275.783 2.490 20 30 CEEDHN N#Cc1c(Cl)cccc1CN1CC(N2CCCC2)C1 ZINC001139690961 816086187 /nfs/dbraw/zinc/08/61/87/816086187.db2.gz MTMLPDZFDREKIS-UHFFFAOYSA-N 0 3 275.783 2.492 20 30 CEEDHN Cc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCC#N)s1 ZINC000691576774 816126542 /nfs/dbraw/zinc/12/65/42/816126542.db2.gz YVLICAMVJKAGBA-MNOVXSKESA-N 0 3 265.382 2.255 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1[nH]nc2ccccc21 ZINC001175091091 816137709 /nfs/dbraw/zinc/13/77/09/816137709.db2.gz BZFOWJWJQMHHTC-UHFFFAOYSA-N 0 3 292.770 2.025 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1cn(C)nc1C(C)C ZINC001176018973 816326685 /nfs/dbraw/zinc/32/66/85/816326685.db2.gz LOAAFLVCAQNRLJ-UHFFFAOYSA-N 0 3 298.818 2.006 20 30 CEEDHN C[C@@H]1CN(Cc2cc(F)c(C#N)c(F)c2)C[C@H](C)N1C ZINC001140755106 816346805 /nfs/dbraw/zinc/34/68/05/816346805.db2.gz UFZCMZFPPQSZBE-PHIMTYICSA-N 0 3 279.334 2.361 20 30 CEEDHN N#Cc1cccc(CN2CC(N3CCCC3)C2)c1Cl ZINC001140811416 816373425 /nfs/dbraw/zinc/37/34/25/816373425.db2.gz SFJQTCVTRFJFQH-UHFFFAOYSA-N 0 3 275.783 2.492 20 30 CEEDHN CC(=O)NCCCCCCNCc1ccccc1C#N ZINC001177696915 816608271 /nfs/dbraw/zinc/60/82/71/816608271.db2.gz RSQBOPPWEUOBKJ-UHFFFAOYSA-N 0 3 273.380 2.344 20 30 CEEDHN CN1CCC(N(C(=O)CCC#N)C2CCCC2)CC1 ZINC001143198818 816806746 /nfs/dbraw/zinc/80/67/46/816806746.db2.gz NDYBMMKKLAPXEJ-UHFFFAOYSA-N 0 3 263.385 2.156 20 30 CEEDHN C[C@H](CNc1cnc(C#N)cn1)N(C)Cc1ccccc1 ZINC000124350972 187134045 /nfs/dbraw/zinc/13/40/45/187134045.db2.gz TXXCWNIWRQKKFF-CYBMUJFWSA-N 0 3 281.363 2.281 20 30 CEEDHN C=CCOc1ccc(C(=O)N2CCN[C@H](C(C)C)C2)cc1 ZINC000621151004 349511402 /nfs/dbraw/zinc/51/14/02/349511402.db2.gz QZEHHHQWHZIRPL-INIZCTEOSA-N 0 3 288.391 2.321 20 30 CEEDHN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)C(C)C#N)C1 ZINC000336344645 365560386 /nfs/dbraw/zinc/56/03/86/365560386.db2.gz TZRICLKZLSGLTL-TZMCWYRMSA-N 0 3 289.354 2.379 20 30 CEEDHN CC(C)(C)OC(=O)[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000407990727 260153774 /nfs/dbraw/zinc/15/37/74/260153774.db2.gz OWJWKHWRKHOWRR-JHJVBQTASA-N 0 3 264.369 2.342 20 30 CEEDHN C=CC(C)(C)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000336297701 365549595 /nfs/dbraw/zinc/54/95/95/365549595.db2.gz CRYOFOFBSIIQSC-QWHCGFSZSA-N 0 3 250.386 2.284 20 30 CEEDHN C[C@@H]1CN(C(=O)C2(C#N)CCCCC2)CCN(C2CC2)C1 ZINC000336303628 365552688 /nfs/dbraw/zinc/55/26/88/365552688.db2.gz ZPAXUIDIAXSSHE-AWEZNQCLSA-N 0 3 289.423 2.403 20 30 CEEDHN N#Cc1ccccc1OCCN1CCC(CCCO)CC1 ZINC000273057787 192032265 /nfs/dbraw/zinc/03/22/65/192032265.db2.gz ZMUYEUFHNMWHBH-UHFFFAOYSA-N 0 3 288.391 2.422 20 30 CEEDHN C[C@H]1C[C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])CCN1C ZINC000124838817 187157549 /nfs/dbraw/zinc/15/75/49/187157549.db2.gz OQHRNDRMGCDIME-JQWIXIFHSA-N 0 3 274.324 2.361 20 30 CEEDHN CN1CCC2(CCN(Cc3cccc(C#N)c3)CC2)C1=O ZINC000096062916 185083165 /nfs/dbraw/zinc/08/31/65/185083165.db2.gz TWKUIGFZVFJERT-UHFFFAOYSA-N 0 3 283.375 2.003 20 30 CEEDHN C=CCN1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000122190661 365626765 /nfs/dbraw/zinc/62/67/65/365626765.db2.gz KBTDTDSQEOUHCH-CYBMUJFWSA-N 0 3 259.353 2.227 20 30 CEEDHN COC(=O)C[C@@H]1CSCCN1CCCC(C)(C)C#N ZINC000123639164 365640648 /nfs/dbraw/zinc/64/06/48/365640648.db2.gz CEWTZPOQVJEERP-GFCCVEGCSA-N 0 3 284.425 2.297 20 30 CEEDHN C[C@@H]1C[C@H](N(C)C(=O)C2(C#N)CCCCC2)CCN1C ZINC000124354870 365650019 /nfs/dbraw/zinc/65/00/19/365650019.db2.gz SAHNOGUGYXFICW-ZIAGYGMSSA-N 0 3 277.412 2.402 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)C2(C#N)CCCCC2)CCN1C ZINC000124355472 365650123 /nfs/dbraw/zinc/65/01/23/365650123.db2.gz SAHNOGUGYXFICW-KBPBESRZSA-N 0 3 277.412 2.402 20 30 CEEDHN C[C@@H]1CCC[C@H](C)CN1CC(=O)N(CCC#N)CCC#N ZINC000125125647 365666983 /nfs/dbraw/zinc/66/69/83/365666983.db2.gz DNWSENKWEHGPQF-LSDHHAIUSA-N 0 3 290.411 2.153 20 30 CEEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccccc1CC#N ZINC000601574543 346852604 /nfs/dbraw/zinc/85/26/04/346852604.db2.gz LFIVAWXXTRLYTC-ZBFHGGJFSA-N 0 3 297.402 2.451 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000337828358 214278496 /nfs/dbraw/zinc/27/84/96/214278496.db2.gz USOWKALMYULKPU-HNNXBMFYSA-N 0 3 283.375 2.175 20 30 CEEDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1CC#N)C2 ZINC000601610511 346860997 /nfs/dbraw/zinc/86/09/97/346860997.db2.gz CQCDPRNEICJEOU-GOSISDBHSA-N 0 3 297.402 2.311 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C)s1 ZINC000049183703 119041337 /nfs/dbraw/zinc/04/13/37/119041337.db2.gz DQKIOPCSUXTCAQ-GHMZBOCLSA-N 0 3 252.383 2.398 20 30 CEEDHN CC[C@@H]1[C@H](CO)CCN1Cc1ccc(C#N)c(F)c1 ZINC000404161557 529485847 /nfs/dbraw/zinc/48/58/47/529485847.db2.gz QRMZUIIMHYRPMS-DZGCQCFKSA-N 0 3 262.328 2.290 20 30 CEEDHN COCC#CCN1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000677820214 539270270 /nfs/dbraw/zinc/27/02/70/539270270.db2.gz JIRRZOXQTRCOKM-KRWDZBQOSA-N 0 3 286.419 2.233 20 30 CEEDHN CCCN(CCN(C)C)C(=O)C(C#N)(CC)CC ZINC000041680734 362046296 /nfs/dbraw/zinc/04/62/96/362046296.db2.gz GYOLQOYHQRFTTB-UHFFFAOYSA-N 0 3 253.390 2.117 20 30 CEEDHN CC(C)[C@H]1CCN1C[C@H](O)COc1ccccc1C#N ZINC000601955908 346942093 /nfs/dbraw/zinc/94/20/93/346942093.db2.gz FGXVINCLJBHUBT-LSDHHAIUSA-N 0 3 274.364 2.028 20 30 CEEDHN Cc1ncc([C@H](C)NC[C@H](O)CC2(C#N)CC2)s1 ZINC000601969382 346945836 /nfs/dbraw/zinc/94/58/36/346945836.db2.gz QPHUPJVCYSHTCF-GXSJLCMTSA-N 0 3 265.382 2.157 20 30 CEEDHN CCc1nc(CCNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)no1 ZINC000329148832 529733604 /nfs/dbraw/zinc/73/36/04/529733604.db2.gz QABKGKIWKCAQET-UTUOFQBUSA-N 0 3 294.399 2.392 20 30 CEEDHN CCN1CCC(NC(=O)Nc2cccc(C#N)c2)CC1 ZINC000053975117 343583013 /nfs/dbraw/zinc/58/30/13/343583013.db2.gz IFEGINUHZDYANV-UHFFFAOYSA-N 0 3 272.352 2.164 20 30 CEEDHN CN(CCc1ccc(C#N)cc1)[C@@H]1CCCCN(C)C1=O ZINC000601973017 346947050 /nfs/dbraw/zinc/94/70/50/346947050.db2.gz BMCNJWCDPOPDAW-MRXNPFEDSA-N 0 3 285.391 2.043 20 30 CEEDHN CC1CCN(CCNC(=O)c2cccc(CC#N)c2)CC1 ZINC000054780103 343594063 /nfs/dbraw/zinc/59/40/63/343594063.db2.gz CSJFIRUVUZBOGT-UHFFFAOYSA-N 0 3 285.391 2.214 20 30 CEEDHN C[C@@H](CNC(=O)/C=C/c1ccc(C#N)cc1)N(C)C1CC1 ZINC000057720586 343636335 /nfs/dbraw/zinc/63/63/35/343636335.db2.gz VJTIFUVOIREZME-RSPDNQDQSA-N 0 3 283.375 2.170 20 30 CEEDHN C[C@H](N[C@@H]1CCCS(=O)(=O)CC1)c1cccc(C#N)c1 ZINC000602012241 346958630 /nfs/dbraw/zinc/95/86/30/346958630.db2.gz KWTUKFMPYZJQGG-SWLSCSKDSA-N 0 3 292.404 2.176 20 30 CEEDHN C[C@H]1C[C@@H](NCc2cccc(F)c2C#N)CN1C1CC1 ZINC000602014237 346959026 /nfs/dbraw/zinc/95/90/26/346959026.db2.gz TWLXLPPMQXBEAK-WCQYABFASA-N 0 3 273.355 2.412 20 30 CEEDHN Cc1occc1C(=O)NC1CCN(CCCC#N)CC1 ZINC000066891041 343724790 /nfs/dbraw/zinc/72/47/90/343724790.db2.gz LNJURENWUINOQV-UHFFFAOYSA-N 0 3 275.352 2.086 20 30 CEEDHN CN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CCC(F)(F)CC1 ZINC000347601800 529836719 /nfs/dbraw/zinc/83/67/19/529836719.db2.gz PFJNDPYYNRGIOF-AWEZNQCLSA-N 0 3 299.365 2.305 20 30 CEEDHN C[C@H](C#N)CN(C(=O)CN(C)CC(C)(C)C)C1CC1 ZINC000602125399 346978480 /nfs/dbraw/zinc/97/84/80/346978480.db2.gz KAOKLRYGEPHBKW-GFCCVEGCSA-N 0 3 265.401 2.115 20 30 CEEDHN CC(C)N(C)CC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000075274638 343844501 /nfs/dbraw/zinc/84/45/01/343844501.db2.gz KZRYDPILYAKXED-GFCCVEGCSA-N 0 3 259.353 2.076 20 30 CEEDHN CSCCCN1CCCN(c2ncccc2C#N)CC1 ZINC000075647339 343860983 /nfs/dbraw/zinc/86/09/83/343860983.db2.gz HVFUYLJZFUGUPB-UHFFFAOYSA-N 0 3 290.436 2.218 20 30 CEEDHN COCCN(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000048611330 362292018 /nfs/dbraw/zinc/29/20/18/362292018.db2.gz JPQDXKNBHLZBFX-UHFFFAOYSA-N 0 3 295.770 2.118 20 30 CEEDHN CC(C)N(CCC#N)C(=O)[C@H](C)N1CCCCCC1 ZINC000081314018 344046061 /nfs/dbraw/zinc/04/60/61/344046061.db2.gz FMDNLHRZLSBZSQ-AWEZNQCLSA-N 0 3 265.401 2.402 20 30 CEEDHN CC(C)[C@H]1CCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000049077549 362333178 /nfs/dbraw/zinc/33/31/78/362333178.db2.gz COOPUKLNMASOLQ-HIFRSBDPSA-N 0 3 265.401 2.161 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000127190323 187287927 /nfs/dbraw/zinc/28/79/27/187287927.db2.gz KHVUOYMMGRBHGH-RDJZCZTQSA-N 0 3 296.374 2.194 20 30 CEEDHN C#CCOc1ccccc1CN(C)C[C@H]1CCC[C@@H]1O ZINC000091899620 344173685 /nfs/dbraw/zinc/17/36/85/344173685.db2.gz QXKMIACVYVXJEI-ZBFHGGJFSA-N 0 3 273.376 2.291 20 30 CEEDHN C[C@H](CC#N)N(C)Cc1ccc(OCCN(C)C)cc1 ZINC000093090476 344214216 /nfs/dbraw/zinc/21/42/16/344214216.db2.gz VSCQOMNEQWHMHY-CQSZACIVSA-N 0 3 275.396 2.361 20 30 CEEDHN C#CCCOc1ccc(CN(C)CC[C@H](C)O)cc1 ZINC000093481581 344224736 /nfs/dbraw/zinc/22/47/36/344224736.db2.gz SRZNKZANRWJZMA-AWEZNQCLSA-N 0 3 261.365 2.291 20 30 CEEDHN CN(C)CCn1cc(Nc2snc(Cl)c2C#N)cn1 ZINC000092627929 344196955 /nfs/dbraw/zinc/19/69/55/344196955.db2.gz OPAIFJJJTRYSGM-UHFFFAOYSA-N 0 3 296.787 2.170 20 30 CEEDHN CCC(C#N)(CC)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000097932594 344246488 /nfs/dbraw/zinc/24/64/88/344246488.db2.gz SLJAKOVUGLPOIC-UHFFFAOYSA-N 0 3 265.401 2.259 20 30 CEEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108510472 344265859 /nfs/dbraw/zinc/26/58/59/344265859.db2.gz MRORYDCPCAWONC-OAHLLOKOSA-N 0 3 298.390 2.473 20 30 CEEDHN C=CC1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000125944054 344320802 /nfs/dbraw/zinc/32/08/02/344320802.db2.gz IDBLTOCMCUFBEG-HNNXBMFYSA-N 0 3 277.412 2.078 20 30 CEEDHN N#Cc1cc(N[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000127805083 344332478 /nfs/dbraw/zinc/33/24/78/344332478.db2.gz ZJFTUMSMXLKFDN-GFCCVEGCSA-N 0 3 272.308 2.115 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)C3CCCC3)C2)cc1 ZINC000134556061 344375373 /nfs/dbraw/zinc/37/53/73/344375373.db2.gz MMCBAVPLWXZWIO-QGZVFWFLSA-N 0 3 297.402 2.439 20 30 CEEDHN Cc1nsc(N[C@H]2CCN(C)[C@H](C)C2)c1C#N ZINC000159149753 344453769 /nfs/dbraw/zinc/45/37/69/344453769.db2.gz IPLWSUHHRLYVOU-SCZZXKLOSA-N 0 3 250.371 2.218 20 30 CEEDHN CN(C)[C@@H](CNCc1cccc(C#N)n1)c1ccc(F)cc1 ZINC000602518820 347064304 /nfs/dbraw/zinc/06/43/04/347064304.db2.gz UCOKOTRQSMSCHH-KRWDZBQOSA-N 0 3 298.365 2.485 20 30 CEEDHN CC[C@H](C#N)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309799116 344729688 /nfs/dbraw/zinc/72/96/88/344729688.db2.gz RHIPDJUXRIEUCD-HZPDHXFCSA-N 0 3 285.391 2.269 20 30 CEEDHN C[C@@H](O)[C@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000305154268 344709619 /nfs/dbraw/zinc/70/96/19/344709619.db2.gz BNGFVRLJEXLHAT-HIFRSBDPSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@@H](CCC#N)C[NH2+]CCCNC(=O)c1cccc([O-])c1 ZINC000602526310 347067129 /nfs/dbraw/zinc/06/71/29/347067129.db2.gz IZKZSERLDKEWEA-ZDUSSCGKSA-N 0 3 289.379 2.042 20 30 CEEDHN CN1CCC(C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000335007052 530048112 /nfs/dbraw/zinc/04/81/12/530048112.db2.gz WXRIPYYANNAYFC-UHFFFAOYSA-N 0 3 257.337 2.033 20 30 CEEDHN CN1CCC[C@@H]1CNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000356096877 530057274 /nfs/dbraw/zinc/05/72/74/530057274.db2.gz OFMIPUNSUHAFRP-JKSUJKDBSA-N 0 3 285.391 2.284 20 30 CEEDHN C[C@@H](CCc1cccn1C)NCc1cccc(C#N)n1 ZINC000602558084 347076276 /nfs/dbraw/zinc/07/62/76/347076276.db2.gz QZOUHXCDMWBUOO-ZDUSSCGKSA-N 0 3 268.364 2.403 20 30 CEEDHN C=C(C)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017511 344817011 /nfs/dbraw/zinc/81/70/11/344817011.db2.gz IBTCVTKEPHXDJQ-LLVKDONJSA-N 0 3 250.302 2.004 20 30 CEEDHN CC1(C)[C@H](NCc2cccc(C#N)n2)[C@@H]2CCCO[C@H]21 ZINC000602562009 347078269 /nfs/dbraw/zinc/07/82/69/347078269.db2.gz UTXITOOJYMTDNS-RRFJBIMHSA-N 0 3 271.364 2.246 20 30 CEEDHN C#CCNC(=O)CCN[C@@H](C)c1ccccc1C(F)(F)F ZINC000491167443 344909653 /nfs/dbraw/zinc/90/96/53/344909653.db2.gz XYJKOUNDSXHQMJ-NSHDSACASA-N 0 3 298.308 2.496 20 30 CEEDHN C[C@H](CCC#N)N(C)CCNC(=O)OC(C)(C)C ZINC000496246054 344922819 /nfs/dbraw/zinc/92/28/19/344922819.db2.gz MEGHLDSGCFPSHK-LLVKDONJSA-N 0 3 255.362 2.135 20 30 CEEDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCC2(C#N)CC2)C1 ZINC000408111040 260236160 /nfs/dbraw/zinc/23/61/60/260236160.db2.gz YQZLDGBGJKSBOQ-DOMZBBRYSA-N 0 3 250.386 2.457 20 30 CEEDHN CN1CC[C@H](NCc2cccc(C#N)n2)[C@H]1c1ccccc1 ZINC000602576458 347085721 /nfs/dbraw/zinc/08/57/21/347085721.db2.gz CEPIAXSEZPUUSS-ZWKOTPCHSA-N 0 3 292.386 2.488 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@H]1CCN(Cc2ccccc2)C1 ZINC000574104538 344949075 /nfs/dbraw/zinc/94/90/75/344949075.db2.gz KNMZMDSFUHPWAM-SJORKVTESA-N 0 3 282.391 2.294 20 30 CEEDHN CN(CC1CCN(C)CC1)C(=O)CCCCCC#N ZINC000588348007 345046535 /nfs/dbraw/zinc/04/65/35/345046535.db2.gz MQWOOLVIIYSDPE-UHFFFAOYSA-N 0 3 265.401 2.261 20 30 CEEDHN N#CCCCCCC(=O)N1CCN(c2ccncc2)CC1 ZINC000588148409 345039690 /nfs/dbraw/zinc/03/96/90/345039690.db2.gz ZOZMOGXPLUWTRV-UHFFFAOYSA-N 0 3 286.379 2.204 20 30 CEEDHN CN1CC[C@@H](NCc2ccnc(C#N)c2)[C@H]1c1ccccc1 ZINC000589267237 345074502 /nfs/dbraw/zinc/07/45/02/345074502.db2.gz GTLGIJUURLONTD-QZTJIDSGSA-N 0 3 292.386 2.488 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N2CCC(C(N)=O)(c3ccccc3)CC2)C1 ZINC000590161801 345118462 /nfs/dbraw/zinc/11/84/62/345118462.db2.gz YVJYANSJUMPCLE-GDBMZVCRSA-N 0 3 297.402 2.198 20 30 CEEDHN C=CCCOCC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000589951384 345106601 /nfs/dbraw/zinc/10/66/01/345106601.db2.gz REBNBKKTMCVYFW-OAHLLOKOSA-N 0 3 280.412 2.056 20 30 CEEDHN CCN1CCN(Cc2cccc(F)c2C#N)C[C@H]1C ZINC000589987024 345107798 /nfs/dbraw/zinc/10/77/98/345107798.db2.gz MKKUCBISUUOVNL-GFCCVEGCSA-N 0 3 261.344 2.223 20 30 CEEDHN CN1C[C@H]2CCN(Cc3ccc(Cl)cc3C#N)[C@@H]2C1 ZINC000590011649 345109831 /nfs/dbraw/zinc/10/98/31/345109831.db2.gz LHMDONPVFFVIRF-IUODEOHRSA-N 0 3 275.783 2.348 20 30 CEEDHN CN1C[C@@H]2CCN(Cc3ccc(C#N)cc3Cl)[C@@H]2C1 ZINC000590010802 345110333 /nfs/dbraw/zinc/11/03/33/345110333.db2.gz WAYXTQZNPDKOFZ-DZGCQCFKSA-N 0 3 275.783 2.348 20 30 CEEDHN CN(Cc1ccnc(C#N)c1)[C@@H](CO)CC(C)(C)C ZINC000590761587 345175994 /nfs/dbraw/zinc/17/59/94/345175994.db2.gz LWPBOPYJABXURE-CQSZACIVSA-N 0 3 261.369 2.182 20 30 CEEDHN C[C@@]1(C#N)CCCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000591359657 345244498 /nfs/dbraw/zinc/24/44/98/345244498.db2.gz BEKNIXRXVGXMQF-HOCLYGCPSA-N 0 3 286.379 2.022 20 30 CEEDHN N#Cc1cnccc1CN1CCN(C2CCCC2)CC1 ZINC000592059312 345317209 /nfs/dbraw/zinc/31/72/09/345317209.db2.gz DWDFDIPTGFYWCF-UHFFFAOYSA-N 0 3 270.380 2.013 20 30 CEEDHN N#CCCNCC1(N2CCSCC2)CCCCC1 ZINC000591736721 345276611 /nfs/dbraw/zinc/27/66/11/345276611.db2.gz JOCPZSRSYHPVHC-UHFFFAOYSA-N 0 3 267.442 2.241 20 30 CEEDHN CC[C@@H]1CN(C)CCN1Cc1ccc(C#N)cc1C ZINC000591850176 345288218 /nfs/dbraw/zinc/28/82/18/345288218.db2.gz YFCHDIAGMGNYND-MRXNPFEDSA-N 0 3 257.381 2.393 20 30 CEEDHN N#Cc1cnccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000592112684 345323728 /nfs/dbraw/zinc/32/37/28/345323728.db2.gz NAPKJMSYSSUDPH-ARFHVFGLSA-N 0 3 283.375 2.391 20 30 CEEDHN CCCNc1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000592272938 345341641 /nfs/dbraw/zinc/34/16/41/345341641.db2.gz DHWFTZHREIKAAW-HNNXBMFYSA-N 0 3 288.395 2.146 20 30 CEEDHN C[C@@H](CN1CC[C@@](O)(CC#N)C1)c1ccc(F)cc1 ZINC000592522019 345365439 /nfs/dbraw/zinc/36/54/39/345365439.db2.gz GQPDWRPFCJJIJU-WFASDCNBSA-N 0 3 262.328 2.280 20 30 CEEDHN COc1ccc([C@@H](C)CN2CC[C@](O)(CC#N)C2)cc1 ZINC000592522483 345365560 /nfs/dbraw/zinc/36/55/60/345365560.db2.gz NPVUVRBLOAOWML-XJKSGUPXSA-N 0 3 274.364 2.149 20 30 CEEDHN CSC[C@H](CCO)N[C@@H](C)c1cccc(C#N)c1 ZINC000305795610 201810297 /nfs/dbraw/zinc/81/02/97/201810297.db2.gz VHTNNSIQDRMCHA-FZMZJTMJSA-N 0 3 264.394 2.323 20 30 CEEDHN N#Cc1cnccc1CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000592134949 345327360 /nfs/dbraw/zinc/32/73/60/345327360.db2.gz WBWDGYYEDAZKPY-GDBMZVCRSA-N 0 3 271.364 2.344 20 30 CEEDHN N#Cc1cnccc1CN1CCC[C@@H]1[C@H]1CCCOC1 ZINC000592134950 345327903 /nfs/dbraw/zinc/32/79/03/345327903.db2.gz WBWDGYYEDAZKPY-GOEBONIOSA-N 0 3 271.364 2.344 20 30 CEEDHN CCn1cc(CN(CCOCCC#N)C(C)C)cn1 ZINC000593079690 345434486 /nfs/dbraw/zinc/43/44/86/345434486.db2.gz JPYJSFRPHZWWMH-UHFFFAOYSA-N 0 3 264.373 2.044 20 30 CEEDHN CC(C#N)C(=O)N(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592827941 345400799 /nfs/dbraw/zinc/40/07/99/345400799.db2.gz IXGVVTRFRZBSJM-BBRMVZONSA-N 0 3 286.375 2.336 20 30 CEEDHN CN(CCN1CCCCC1)c1nc2ccccn2c1C#N ZINC000593515233 345501725 /nfs/dbraw/zinc/50/17/25/345501725.db2.gz DGWUNNNMRAISLK-UHFFFAOYSA-N 0 3 283.379 2.128 20 30 CEEDHN CCC(C#N)C(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000593558108 345507407 /nfs/dbraw/zinc/50/74/07/345507407.db2.gz IICIHIROLWPSQK-RYUDHWBXSA-N 0 3 280.368 2.259 20 30 CEEDHN CC[C@H](C#N)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000593390941 345475827 /nfs/dbraw/zinc/47/58/27/345475827.db2.gz HYPAQSUDXRACPG-ZBFHGGJFSA-N 0 3 285.391 2.489 20 30 CEEDHN CC[C@H](C#N)C(=O)NCCCN1CCc2ccccc2C1 ZINC000593403020 345477456 /nfs/dbraw/zinc/47/74/56/345477456.db2.gz RPEHTXGKMLZEOI-CQSZACIVSA-N 0 3 285.391 2.101 20 30 CEEDHN CC[C@H](N[C@@H](CO)CCF)c1ccc(C#N)cc1 ZINC000593718570 345526438 /nfs/dbraw/zinc/52/64/38/345526438.db2.gz KAUYGGSYPHCYLI-KGLIPLIRSA-N 0 3 250.317 2.319 20 30 CEEDHN C[C@H](N[C@H](CO)CCF)c1ccc(C#N)cc1F ZINC000593718374 345526587 /nfs/dbraw/zinc/52/65/87/345526587.db2.gz FUIBRSYBRDZYHO-ONGXEEELSA-N 0 3 254.280 2.068 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593890945 345548613 /nfs/dbraw/zinc/54/86/13/345548613.db2.gz KEVVZKFORQHSBE-CHWSQXEVSA-N 0 3 283.375 2.273 20 30 CEEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)CCCCC#N)C1 ZINC000593992987 345561891 /nfs/dbraw/zinc/56/18/91/345561891.db2.gz LHAZDTLRFYPYLO-UONOGXRCSA-N 0 3 263.385 2.013 20 30 CEEDHN N#Cc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000594203812 345598259 /nfs/dbraw/zinc/59/82/59/345598259.db2.gz UMEIIUGGYZPDQV-JKSUJKDBSA-N 0 3 283.375 2.305 20 30 CEEDHN CN(C)[C@@H](CNC(=O)CCCCC#N)Cc1ccccc1 ZINC000594227816 345601105 /nfs/dbraw/zinc/60/11/05/345601105.db2.gz YJYDTTOUKHILDE-MRXNPFEDSA-N 0 3 287.407 2.359 20 30 CEEDHN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCN1CCCC1 ZINC000594272456 345607086 /nfs/dbraw/zinc/60/70/86/345607086.db2.gz GWXQBINRICDUME-OAHLLOKOSA-N 0 3 299.418 2.291 20 30 CEEDHN N#CCCCCC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000594286090 345609148 /nfs/dbraw/zinc/60/91/48/345609148.db2.gz LGUSHJMLRWJVAY-CQSZACIVSA-N 0 3 263.385 2.157 20 30 CEEDHN CS[C@@H]1CN(C(=O)CCCCC#N)C[C@@H]1N1CCCC1 ZINC000594340160 345614316 /nfs/dbraw/zinc/61/43/16/345614316.db2.gz ZRZLWPBAZATOQY-UONOGXRCSA-N 0 3 295.452 2.109 20 30 CEEDHN CCC(C)(C)N1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000594389263 345620074 /nfs/dbraw/zinc/62/00/74/345620074.db2.gz HKQUNCFIZHHGPE-UHFFFAOYSA-N 0 3 299.418 2.434 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594415409 345623698 /nfs/dbraw/zinc/62/36/98/345623698.db2.gz ONCZAZVVIIYEMW-NWDGAFQWSA-N 0 3 250.342 2.096 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000594426965 345626344 /nfs/dbraw/zinc/62/63/44/345626344.db2.gz UABWEIMDYPSPJH-CVEARBPZSA-N 0 3 285.391 2.071 20 30 CEEDHN CCn1c2ccccc2nc1NC(=O)[C@H](N)CCCCC#N ZINC000594426457 345626755 /nfs/dbraw/zinc/62/67/55/345626755.db2.gz RLOWWAPFJAVNRJ-GFCCVEGCSA-N 0 3 299.378 2.406 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc(Cl)s1 ZINC000594428651 345627222 /nfs/dbraw/zinc/62/72/22/345627222.db2.gz NRRKOPCXERIODJ-JTQLQIEISA-N 0 3 285.800 2.429 20 30 CEEDHN C[C@H](CNC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594427707 345627426 /nfs/dbraw/zinc/62/74/26/345627426.db2.gz VZAQUXLGBAVEHE-UKRRQHHQSA-N 0 3 273.380 2.318 20 30 CEEDHN CC1(NC(=O)[C@H](N)CCCCC#N)CCCCC1 ZINC000594429623 345627935 /nfs/dbraw/zinc/62/79/35/345627935.db2.gz UXRPIUNWEXMROL-GFCCVEGCSA-N 0 3 251.374 2.237 20 30 CEEDHN C[C@@H](Cc1ccccc1F)NC(=O)[C@@H](N)CCCCC#N ZINC000594429427 345627967 /nfs/dbraw/zinc/62/79/67/345627967.db2.gz UBPHUYZIBSHTSD-WFASDCNBSA-N 0 3 291.370 2.284 20 30 CEEDHN CN(CCc1cccs1)C(=O)[C@H](N)CCCCC#N ZINC000594432457 345628202 /nfs/dbraw/zinc/62/82/02/345628202.db2.gz AOPODWAUFIKECO-CYBMUJFWSA-N 0 3 279.409 2.160 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000594430359 345628534 /nfs/dbraw/zinc/62/85/34/345628534.db2.gz ZYNYRGTWXVMTNB-QLFBSQMISA-N 0 3 271.364 2.070 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000594433261 345629192 /nfs/dbraw/zinc/62/91/92/345629192.db2.gz MVIASNHUXGBLTH-TUVASFSCSA-N 0 3 277.412 2.483 20 30 CEEDHN C[C@H](c1cccnc1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594435092 345629790 /nfs/dbraw/zinc/62/97/90/345629790.db2.gz AFMBPERIDRBATE-TZMCWYRMSA-N 0 3 274.368 2.012 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000594436015 345630003 /nfs/dbraw/zinc/63/00/03/345630003.db2.gz GQRCOTPVJWBDSI-ZDUSSCGKSA-N 0 3 299.334 2.086 20 30 CEEDHN COc1cc(NC(=O)[C@@H](N)CCCCC#N)ccc1F ZINC000594436165 345630142 /nfs/dbraw/zinc/63/01/42/345630142.db2.gz MKMXVBPMSRVKBR-LBPRGKRZSA-N 0 3 279.315 2.184 20 30 CEEDHN Cc1csc([C@@H](C)CNC(=O)[C@@H](N)CCCCC#N)n1 ZINC000594437564 345630315 /nfs/dbraw/zinc/63/03/15/345630315.db2.gz OOAWKQXJVQAVQY-JQWIXIFHSA-N 0 3 294.424 2.083 20 30 CEEDHN COc1cc(C)cc(CNC(=O)[C@H](N)CCCCC#N)c1 ZINC000594437906 345630639 /nfs/dbraw/zinc/63/06/39/345630639.db2.gz QGOZXGHYLWLFAU-OAHLLOKOSA-N 0 3 289.379 2.031 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1C1CCC1 ZINC000594439852 345631103 /nfs/dbraw/zinc/63/11/03/345631103.db2.gz RMVGEFWRLZVREP-KGLIPLIRSA-N 0 3 263.385 2.189 20 30 CEEDHN CC1(C)CCC[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594443001 345631746 /nfs/dbraw/zinc/63/17/46/345631746.db2.gz FODIZSCPFZHSGV-RYUDHWBXSA-N 0 3 251.374 2.093 20 30 CEEDHN CC(C)(C#N)c1ccc(CNCCCS(C)(=O)=O)cc1 ZINC000594499696 345638912 /nfs/dbraw/zinc/63/89/12/345638912.db2.gz QJVZMTCUWSRJKI-UHFFFAOYSA-N 0 3 294.420 2.012 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594450519 345634420 /nfs/dbraw/zinc/63/44/20/345634420.db2.gz QCFTZFSMPFUQHU-OAHLLOKOSA-N 0 3 296.374 2.075 20 30 CEEDHN CC[C@H](NCc1cnc2c(C#N)cnn2c1)[C@@H]1CCCCO1 ZINC000594611048 345660888 /nfs/dbraw/zinc/66/08/88/345660888.db2.gz LGGDAOQNNMZUDY-GJZGRUSLSA-N 0 3 299.378 2.038 20 30 CEEDHN CC(C)(C)[C@H](N)c1cn(Cc2ccc(C#N)cc2F)nn1 ZINC000594650437 345666203 /nfs/dbraw/zinc/66/62/03/345666203.db2.gz VGRJUQQQNHVKPL-CQSZACIVSA-N 0 3 287.342 2.383 20 30 CEEDHN N#Cc1ccc([C@H](NC[C@@H]2CCC[C@@H]3C[C@@H]32)C(N)=O)cc1 ZINC000594729935 345680827 /nfs/dbraw/zinc/68/08/27/345680827.db2.gz PYVOMYHKDZUJBS-UGUYLWEFSA-N 0 3 283.375 2.110 20 30 CEEDHN N#CC1(CNC2CCN([C@@H]3CCOC3)CC2)CCCCC1 ZINC000595089233 345740652 /nfs/dbraw/zinc/74/06/52/345740652.db2.gz FZIIPXUZQBPFOK-MRXNPFEDSA-N 0 3 291.439 2.303 20 30 CEEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000595250882 345747857 /nfs/dbraw/zinc/74/78/57/345747857.db2.gz RBRNIQUCFCJQOG-HZSPNIEDSA-N 0 3 263.385 2.259 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1cnc2c(F)cccc2c1 ZINC000595255146 345749096 /nfs/dbraw/zinc/74/90/96/345749096.db2.gz KXIMNNRWOIFJOY-CYBMUJFWSA-N 0 3 286.310 2.334 20 30 CEEDHN C[C@H](CNC(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000595258853 345749998 /nfs/dbraw/zinc/74/99/98/345749998.db2.gz FALMJNABSLVFPL-OCCSQVGLSA-N 0 3 265.401 2.340 20 30 CEEDHN N#Cc1ccnc(N2CCN(C[C@@H]3C[C@H]4C[C@H]4C3)CC2)c1 ZINC000595289593 345755187 /nfs/dbraw/zinc/75/51/87/345755187.db2.gz FPUFPYOBOIXOOO-MUJYYYPQSA-N 0 3 282.391 2.121 20 30 CEEDHN CC(C)C(=O)NCCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594918325 345701390 /nfs/dbraw/zinc/70/13/90/345701390.db2.gz NUPCAUCUEDXDCM-UHFFFAOYSA-N 0 3 285.391 2.104 20 30 CEEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)[C@H]1CN(C)CCO1 ZINC000594932213 345707494 /nfs/dbraw/zinc/70/74/94/345707494.db2.gz WHLJMMIBGGJSJJ-WMLDXEAASA-N 0 3 299.418 2.050 20 30 CEEDHN COC[C@@H](C)Oc1ccc(CNCCCC#N)cc1 ZINC000594941965 345711305 /nfs/dbraw/zinc/71/13/05/345711305.db2.gz DIONWFHIUYCKNK-CYBMUJFWSA-N 0 3 262.353 2.494 20 30 CEEDHN C=CCCSCCNC(=O)NCC1(N(C)C)CCC1 ZINC000595592393 345819931 /nfs/dbraw/zinc/81/99/31/345819931.db2.gz ZMGGJERFLBWQCF-UHFFFAOYSA-N 0 3 285.457 2.079 20 30 CEEDHN CC(C)(CNC(=O)N1CC[C@@](C)(C#N)C1)N1CCCCC1 ZINC000595427838 345780024 /nfs/dbraw/zinc/78/00/24/345780024.db2.gz SVPXAKIPNKPOCR-INIZCTEOSA-N 0 3 292.427 2.196 20 30 CEEDHN CC(C)[C@H](N[C@@H](C)CCC#N)[C@H](O)C(F)(F)F ZINC000595481897 345793073 /nfs/dbraw/zinc/79/30/73/345793073.db2.gz KOPJDUHVYOOCSS-GUBZILKMSA-N 0 3 252.280 2.216 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595507438 345798449 /nfs/dbraw/zinc/79/84/49/345798449.db2.gz NIIMRCGJGMCOQH-GDBMZVCRSA-N 0 3 292.427 2.196 20 30 CEEDHN C[C@H]1COC2(CCC2)CN1CCCSCC#N ZINC000595681866 345847393 /nfs/dbraw/zinc/84/73/93/345847393.db2.gz NTCAPIRCYZZVPZ-LBPRGKRZSA-N 0 3 254.399 2.277 20 30 CEEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1COCCO1 ZINC000595734734 345862666 /nfs/dbraw/zinc/86/26/66/345862666.db2.gz AKUDEYWVHFZQPU-MRXNPFEDSA-N 0 3 288.391 2.335 20 30 CEEDHN N#CC[C@H]1CCCN(CCO[C@@H]2CCCCO2)C1 ZINC000595620789 345829743 /nfs/dbraw/zinc/82/97/43/345829743.db2.gz QTNFLXQTNHWLPK-ZIAGYGMSSA-N 0 3 252.358 2.155 20 30 CEEDHN CN(CCC#N)C(=O)CCNC(C)(C)c1cccc(C#N)c1 ZINC000595640195 345834865 /nfs/dbraw/zinc/83/48/65/345834865.db2.gz PFVUTQTVWDBNTJ-UHFFFAOYSA-N 0 3 298.390 2.145 20 30 CEEDHN COC(=O)C1(CNC(C)(C)c2cccc(C#N)c2)CC1 ZINC000595641073 345834921 /nfs/dbraw/zinc/83/49/21/345834921.db2.gz ZJALOZSOCAGANV-UHFFFAOYSA-N 0 3 272.348 2.336 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000595662294 345841290 /nfs/dbraw/zinc/84/12/90/345841290.db2.gz HNAGTTHHTSQTKO-BBRMVZONSA-N 0 3 292.427 2.194 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000595845414 345897334 /nfs/dbraw/zinc/89/73/34/345897334.db2.gz NSWJBPVYVDNQBO-MELADBBJSA-N 0 3 273.380 2.120 20 30 CEEDHN COc1ccc(C#N)cc1CN1CC[C@@H]2COC[C@H]2C1 ZINC000595835036 345891425 /nfs/dbraw/zinc/89/14/25/345891425.db2.gz UISGTVYWOMAOMN-UKRRQHHQSA-N 0 3 272.348 2.035 20 30 CEEDHN N#Cc1cccc(OCCN2CCC[C@@](O)(C3CC3)C2)c1 ZINC000595750225 345865572 /nfs/dbraw/zinc/86/55/72/345865572.db2.gz JZXJRQDVYOSFBC-KRWDZBQOSA-N 0 3 286.375 2.174 20 30 CEEDHN CCOCCNC1(c2cccc(C#N)c2)CCOCC1 ZINC000595767461 345872042 /nfs/dbraw/zinc/87/20/42/345872042.db2.gz BOZJKBJHAIJEOT-UHFFFAOYSA-N 0 3 274.364 2.190 20 30 CEEDHN N#CCc1ccc(CN[C@H]2C[C@H](O)C23CCC3)cc1 ZINC000595779380 345874685 /nfs/dbraw/zinc/87/46/85/345874685.db2.gz DKOCOWJWYJDLNR-GJZGRUSLSA-N 0 3 256.349 2.146 20 30 CEEDHN CC[C@@H]1CC[C@@H](C)N(CC(=O)N(CC)CCC#N)C1 ZINC000595783030 345875140 /nfs/dbraw/zinc/87/51/40/345875140.db2.gz MDSNBJZFBJYWBT-ZIAGYGMSSA-N 0 3 265.401 2.259 20 30 CEEDHN Cc1ccc(C#N)nc1N1CCN(CC(C)C)CC1 ZINC000596052718 345928914 /nfs/dbraw/zinc/92/89/14/345928914.db2.gz IIBDPNLOUKUXDG-UHFFFAOYSA-N 0 3 258.369 2.040 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N(C)C[C@@H]1CCc2ccccc21 ZINC000595880860 345905209 /nfs/dbraw/zinc/90/52/09/345905209.db2.gz PGHJSCXHTBQLIP-ZBFHGGJFSA-N 0 3 299.418 2.409 20 30 CEEDHN Cc1ccc(C#N)nc1N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000596155355 345954594 /nfs/dbraw/zinc/95/45/94/345954594.db2.gz IPEVUERFSIQKDR-DGCLKSJQSA-N 0 3 256.353 2.299 20 30 CEEDHN Cn1ncc(C#N)c1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000596077627 345934670 /nfs/dbraw/zinc/93/46/70/345934670.db2.gz AHORETUPFZIATJ-MRXNPFEDSA-N 0 3 295.390 2.368 20 30 CEEDHN Cn1ncc(C#N)c1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000596077626 345934729 /nfs/dbraw/zinc/93/47/29/345934729.db2.gz AHORETUPFZIATJ-INIZCTEOSA-N 0 3 295.390 2.368 20 30 CEEDHN Cc1cccc2c1ncc(C#N)c2N[C@H]1CCN(C2CC2)C1 ZINC000596090126 345937259 /nfs/dbraw/zinc/93/72/59/345937259.db2.gz LVWVZEATCCCIBG-AWEZNQCLSA-N 0 3 292.386 2.485 20 30 CEEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2cc(C#N)cnn2)C1 ZINC000596088281 345937296 /nfs/dbraw/zinc/93/72/96/345937296.db2.gz JTHAPXHAKWSISZ-XJKSGUPXSA-N 0 3 293.374 2.018 20 30 CEEDHN CC(C)(C)N1CC[C@@H](Nc2ncc(C#N)cc2[N+](=O)[O-])C1 ZINC000596337112 346002966 /nfs/dbraw/zinc/00/29/66/346002966.db2.gz UJOOBZGEHARDNY-LLVKDONJSA-N 0 3 289.339 2.146 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCC2(CCC2)CC1 ZINC000596577388 346059222 /nfs/dbraw/zinc/05/92/22/346059222.db2.gz FSCOKETUKAAUSD-ZDUSSCGKSA-N 0 3 263.385 2.190 20 30 CEEDHN CN(CC1CN(C)C1)c1cccc(C(F)F)c1C#N ZINC000596453340 346027893 /nfs/dbraw/zinc/02/78/93/346027893.db2.gz JPWKGXQVAXDCEY-UHFFFAOYSA-N 0 3 265.307 2.494 20 30 CEEDHN C=CCCSCCNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000596716959 346079629 /nfs/dbraw/zinc/07/96/29/346079629.db2.gz KJGCQEMCLPDFKL-ZIAGYGMSSA-N 0 3 299.484 2.277 20 30 CEEDHN C=CCCSCCNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000596722526 346080707 /nfs/dbraw/zinc/08/07/07/346080707.db2.gz USADVJCOWXYBPM-CYBMUJFWSA-N 0 3 285.457 2.031 20 30 CEEDHN C[C@@H](CC#N)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000596789560 346090412 /nfs/dbraw/zinc/09/04/12/346090412.db2.gz UJCIGOYSXRWFJK-HOCLYGCPSA-N 0 3 285.391 2.317 20 30 CEEDHN N#CC1(CC(=O)N[C@@H]2CCN(CC3CC3)C2)CCCCC1 ZINC000597178701 346142220 /nfs/dbraw/zinc/14/22/20/346142220.db2.gz FDNPRRQCEMYXBV-OAHLLOKOSA-N 0 3 289.423 2.451 20 30 CEEDHN N#CC1(c2ccc(CN3CCC(CC(N)=O)CC3)cc2)CC1 ZINC000596981048 346111781 /nfs/dbraw/zinc/11/17/81/346111781.db2.gz GCUVAGSMMMDLKR-UHFFFAOYSA-N 0 3 297.402 2.329 20 30 CEEDHN CN(C)[C@H]1CCCN(C(=O)CC2(C#N)CCCCC2)C1 ZINC000597099282 346128247 /nfs/dbraw/zinc/12/82/47/346128247.db2.gz JRTGJBLCPRUPFH-AWEZNQCLSA-N 0 3 277.412 2.403 20 30 CEEDHN C[C@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CC[C@@H]1O ZINC000597091361 346128378 /nfs/dbraw/zinc/12/83/78/346128378.db2.gz DKAJZHVEGBEJLE-BBRMVZONSA-N 0 3 270.376 2.444 20 30 CEEDHN COc1cc(CN[C@H]2CO[C@@H](C3CC3)C2)ccc1C#N ZINC000597133493 346133349 /nfs/dbraw/zinc/13/33/49/346133349.db2.gz UIIULXZWBVJOAL-GDBMZVCRSA-N 0 3 272.348 2.224 20 30 CEEDHN C=CC[C@@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000597189213 346144632 /nfs/dbraw/zinc/14/46/32/346144632.db2.gz ZXKQRBLZVYIQQX-CYBMUJFWSA-N 0 3 281.363 2.389 20 30 CEEDHN COC(=O)[C@H]1C[C@@H](NCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597220688 346152510 /nfs/dbraw/zinc/15/25/10/346152510.db2.gz FXDRQJLSMBEMMA-OTVXOJSOSA-N 0 3 284.359 2.283 20 30 CEEDHN C[C@H](CC#N)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000597453300 346187852 /nfs/dbraw/zinc/18/78/52/346187852.db2.gz RDUOBNDISVCYMH-BPLDGKMQSA-N 0 3 271.364 2.098 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC2CSC2)cc1 ZINC000597789773 346231471 /nfs/dbraw/zinc/23/14/71/346231471.db2.gz QUAWXTJOZIQBLM-HNNXBMFYSA-N 0 3 299.399 2.110 20 30 CEEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccccn1 ZINC000602585417 347089348 /nfs/dbraw/zinc/08/93/48/347089348.db2.gz QICIGOHUGMYQGR-ZDUSSCGKSA-N 0 3 259.353 2.270 20 30 CEEDHN CC(C)(C)N1CC[C@H](NC(=O)c2cccc(C#N)c2)C1 ZINC000597924803 346254347 /nfs/dbraw/zinc/25/43/47/346254347.db2.gz LABFHWYNYPHGQL-AWEZNQCLSA-N 0 3 271.364 2.161 20 30 CEEDHN CC(C#N)C(=O)NC[C@H](OC1CCCC1)C(F)(F)F ZINC000597977540 346262219 /nfs/dbraw/zinc/26/22/19/346262219.db2.gz JQNCQOKDEVFUNK-SCZZXKLOSA-N 0 3 278.274 2.152 20 30 CEEDHN CC(C#N)C(=O)N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000598139294 346299833 /nfs/dbraw/zinc/29/98/33/346299833.db2.gz MIAYBGPYGDBVJH-YPMHNXCESA-N 0 3 274.320 2.119 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)CCCCCC#N)C1 ZINC000598342759 346331724 /nfs/dbraw/zinc/33/17/24/346331724.db2.gz PXDUNSTZAXPCGL-CYBMUJFWSA-N 0 3 251.374 2.061 20 30 CEEDHN CCCN1CC[C@@H](NC(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000598343421 346332116 /nfs/dbraw/zinc/33/21/16/346332116.db2.gz USEOJCLJGWQLID-CZUORRHYSA-N 0 3 275.396 2.061 20 30 CEEDHN CCN(C(=O)[C@H]1CCN(Cc2ccccc2)C1)[C@@H](C)C#N ZINC000598362568 346339822 /nfs/dbraw/zinc/33/98/22/346339822.db2.gz GQRSGHBWOUDOBI-HOCLYGCPSA-N 0 3 285.391 2.269 20 30 CEEDHN CC(C)[C@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)CCN1 ZINC000598569839 346375696 /nfs/dbraw/zinc/37/56/96/346375696.db2.gz FGPQZYTTXXEXFW-CQSZACIVSA-N 0 3 291.782 2.282 20 30 CEEDHN CC(C#N)C(=O)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000598573679 346376159 /nfs/dbraw/zinc/37/61/59/346376159.db2.gz OPGSNRGWUJYSHL-YPMHNXCESA-N 0 3 255.321 2.295 20 30 CEEDHN Cc1ccnc(N[C@H]2CN(C3CC3)C[C@H]2C)c1C#N ZINC000273292754 192101507 /nfs/dbraw/zinc/10/15/07/192101507.db2.gz FWGBVQYCZLATTJ-RISCZKNCSA-N 0 3 256.353 2.156 20 30 CEEDHN Cc1ccc(CN(C)C[C@H](O)CC(C)(C)C#N)o1 ZINC000598586508 346377317 /nfs/dbraw/zinc/37/73/17/346377317.db2.gz HKTXCYVQCJTFLV-GFCCVEGCSA-N 0 3 250.342 2.321 20 30 CEEDHN Cc1nn(C)cc1[C@@H]1CCCN1C[C@H](O)CC(C)(C)C#N ZINC000598592873 346379174 /nfs/dbraw/zinc/37/91/74/346379174.db2.gz MNTNWHDOCALGPV-HIFRSBDPSA-N 0 3 290.411 2.166 20 30 CEEDHN Cc1noc(C)c1[C@@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598603521 346382607 /nfs/dbraw/zinc/38/26/07/346382607.db2.gz VDMGGVKZOBVYHE-BXKDBHETSA-N 0 3 265.357 2.243 20 30 CEEDHN CC(C)(C#N)C[C@H](O)CN1CC(C)(C)OC(C)(C)C1 ZINC000598605513 346382846 /nfs/dbraw/zinc/38/28/46/346382846.db2.gz BDRCIXGNQCQRFV-LBPRGKRZSA-N 0 3 268.401 2.177 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000598618553 346385092 /nfs/dbraw/zinc/38/50/92/346385092.db2.gz YNJAJVVMFXAKAF-CHWSQXEVSA-N 0 3 296.802 2.084 20 30 CEEDHN CN(C)c1ccccc1CN(C)C[C@@H](O)CC(C)(C)C#N ZINC000598618604 346385345 /nfs/dbraw/zinc/38/53/45/346385345.db2.gz YVCOUTLPSMIVRS-HNNXBMFYSA-N 0 3 289.423 2.485 20 30 CEEDHN COc1ccccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598704414 346404509 /nfs/dbraw/zinc/40/45/09/346404509.db2.gz ORQFOKBVVACSNP-CYBMUJFWSA-N 0 3 262.353 2.086 20 30 CEEDHN CCCOc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cn1 ZINC000598721502 346408270 /nfs/dbraw/zinc/40/82/70/346408270.db2.gz UYLNBYWVQLGJDC-AWEZNQCLSA-N 0 3 291.395 2.261 20 30 CEEDHN Cc1cc(CN2CC[C@@H](C)[C@@H](CO)C2)ccc1C#N ZINC000598647531 346392372 /nfs/dbraw/zinc/39/23/72/346392372.db2.gz OIVLJLPIUMVZKC-MLGOLLRUSA-N 0 3 258.365 2.317 20 30 CEEDHN C[C@@H](CC#N)C(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000598843439 346426786 /nfs/dbraw/zinc/42/67/86/346426786.db2.gz LXWRASUZTYDKQB-DZGCQCFKSA-N 0 3 285.391 2.446 20 30 CEEDHN CN(CCNCc1ccc(C#N)cc1)CC(F)(F)F ZINC000264853438 282475701 /nfs/dbraw/zinc/47/57/01/282475701.db2.gz PQZLOPRWFLHAIX-UHFFFAOYSA-N 0 3 271.286 2.142 20 30 CEEDHN C=C(C)CNCc1c(C)[nH]c(C(=O)OCC)c1C ZINC000598980311 346441110 /nfs/dbraw/zinc/44/11/10/346441110.db2.gz SEESRAYYVCYWBC-UHFFFAOYSA-N 0 3 250.342 2.474 20 30 CEEDHN CC(C)(C#N)c1ccc(CNC[C@@H](O)[C@H]2CCCO2)cc1 ZINC000598989841 346442699 /nfs/dbraw/zinc/44/26/99/346442699.db2.gz CIULSGMJTAFTJJ-HZPDHXFCSA-N 0 3 288.391 2.117 20 30 CEEDHN N#CCC1CCN(Cc2cccn(C(F)F)c2=O)CC1 ZINC000602596113 347092922 /nfs/dbraw/zinc/09/29/22/347092922.db2.gz HBWJYIIWXBIPKP-UHFFFAOYSA-N 0 3 281.306 2.369 20 30 CEEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C12CC(C1)C2 ZINC000599089245 346458521 /nfs/dbraw/zinc/45/85/21/346458521.db2.gz YKTBNQMROHAVBG-UHFFFAOYSA-N 0 3 297.402 2.249 20 30 CEEDHN N#Cc1cccc(CNCCCc2nccs2)n1 ZINC000602595315 347093253 /nfs/dbraw/zinc/09/32/53/347093253.db2.gz YIPYNGJZKJUHHH-UHFFFAOYSA-N 0 3 258.350 2.132 20 30 CEEDHN COCC[C@H](Cc1ccco1)NCc1cccc(C#N)n1 ZINC000602607929 347099208 /nfs/dbraw/zinc/09/92/08/347099208.db2.gz KYLISJRNIRXLER-CYBMUJFWSA-N 0 3 285.347 2.284 20 30 CEEDHN Cc1ccc(CN2CCC(Cn3cncn3)CC2)cc1C#N ZINC000599380127 346510643 /nfs/dbraw/zinc/51/06/43/346510643.db2.gz BSINDCIIOLFQSX-UHFFFAOYSA-N 0 3 295.390 2.370 20 30 CEEDHN Cc1ccc(CN2CCC3(CCN(C)C3=O)CC2)cc1C#N ZINC000599386321 346511187 /nfs/dbraw/zinc/51/11/87/346511187.db2.gz AIFWUPLVSHMYMC-UHFFFAOYSA-N 0 3 297.402 2.311 20 30 CEEDHN C=CCC[C@H](O)CN1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599683060 346564223 /nfs/dbraw/zinc/56/42/23/346564223.db2.gz WTYHVANRZRRKNX-GOEBONIOSA-N 0 3 289.375 2.086 20 30 CEEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000599625305 346548022 /nfs/dbraw/zinc/54/80/22/346548022.db2.gz IQUFSZKNGZPQKH-JNIYBQFBSA-N 0 3 289.335 2.368 20 30 CEEDHN N#Cc1ccc(CCN2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000599636558 346550409 /nfs/dbraw/zinc/55/04/09/346550409.db2.gz MNLDCJPXPZBFJU-GUXCAODWSA-N 0 3 288.416 2.086 20 30 CEEDHN CCC(C#N)C(=O)N1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000600137518 346603038 /nfs/dbraw/zinc/60/30/38/346603038.db2.gz CFHNNRGKVHMWST-XHDPSFHLSA-N 0 3 280.368 2.259 20 30 CEEDHN C=CC(C)(C)CCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000600601995 346659335 /nfs/dbraw/zinc/65/93/35/346659335.db2.gz KEJHNCVKAPWTRI-AWEZNQCLSA-N 0 3 271.364 2.277 20 30 CEEDHN N#CC1(C[C@@H](O)CNCc2ccc3ccccc3n2)CC1 ZINC000600715234 346676625 /nfs/dbraw/zinc/67/66/25/346676625.db2.gz ALMKICIOGVVWOF-OAHLLOKOSA-N 0 3 281.359 2.379 20 30 CEEDHN CC(C)[C@@H](C(=O)N1CCc2c(CC#N)cccc2C1)N(C)C ZINC000600779564 346689167 /nfs/dbraw/zinc/68/91/67/346689167.db2.gz CHZJQUXKZVCTSA-KRWDZBQOSA-N 0 3 299.418 2.224 20 30 CEEDHN C=CCN1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601113107 346756312 /nfs/dbraw/zinc/75/63/12/346756312.db2.gz KGHWCYLKMNKRQI-UHFFFAOYSA-N 0 3 280.303 2.191 20 30 CEEDHN COCCc1ncc(CNCC(C)(C)CC#N)s1 ZINC000601127898 346762279 /nfs/dbraw/zinc/76/22/79/346762279.db2.gz URNFKPWNVAADBA-UHFFFAOYSA-N 0 3 267.398 2.361 20 30 CEEDHN CCN(C[C@H](C)CCC#N)C[C@H](O)C(F)(F)F ZINC000602624240 347108727 /nfs/dbraw/zinc/10/87/27/347108727.db2.gz TUYINNXHLKHOCE-ZJUUUORDSA-N 0 3 252.280 2.171 20 30 CEEDHN C[C@H](CCC#N)CN1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000602643889 347119786 /nfs/dbraw/zinc/11/97/86/347119786.db2.gz OCIBIIKLPNLPJK-LXTVHRRPSA-N 0 3 266.385 2.195 20 30 CEEDHN C[C@@H](CCC#N)CN1CC(CO)(c2ccccc2)C1 ZINC000602688444 347147321 /nfs/dbraw/zinc/14/73/21/347147321.db2.gz BHVPZUVKYVWZOA-AWEZNQCLSA-N 0 3 258.365 2.172 20 30 CEEDHN N#Cc1cccc(CN[C@@H](C2CC2)[C@@H]2CCCCO2)n1 ZINC000602707135 347161330 /nfs/dbraw/zinc/16/13/30/347161330.db2.gz SWWZTACBAONUTD-HOTGVXAUSA-N 0 3 271.364 2.391 20 30 CEEDHN N#CCCN1CCN(CCCc2ccc3c(c2)CCO3)CC1 ZINC000602748904 347184382 /nfs/dbraw/zinc/18/43/82/347184382.db2.gz WCRUKQBLJOZMBI-UHFFFAOYSA-N 0 3 299.418 2.085 20 30 CEEDHN N#CCCOCCN1CCC[C@@H](c2cccnc2)C1 ZINC000602857395 347227348 /nfs/dbraw/zinc/22/73/48/347227348.db2.gz VRJKETGHNRJDGF-OAHLLOKOSA-N 0 3 259.353 2.191 20 30 CEEDHN C[C@H](CC#N)NCC1CCN(C(=O)C(C)(C)C)CC1 ZINC000602870550 347232810 /nfs/dbraw/zinc/23/28/10/347232810.db2.gz NAJXKYIGSLNPKR-GFCCVEGCSA-N 0 3 265.401 2.163 20 30 CEEDHN CO[C@@H]1CN(CCC2(C#N)CCCCC2)[C@@](C)(CO)C1 ZINC000602961813 347257682 /nfs/dbraw/zinc/25/76/82/347257682.db2.gz DLLQUHJDUPVGQT-LSDHHAIUSA-N 0 3 280.412 2.322 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N(C)C[C@@H](C)C(C)(C)C ZINC000603053412 347277452 /nfs/dbraw/zinc/27/74/52/347277452.db2.gz BWEOQEDWSIPHMK-OLZOCXBDSA-N 0 3 267.417 2.361 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)Nc2cc(F)cc(C#N)c2)CCN1C ZINC000603079430 347282891 /nfs/dbraw/zinc/28/28/91/347282891.db2.gz TUQNBTWYNOKALY-ZWNOBZJWSA-N 0 3 290.342 2.302 20 30 CEEDHN CCN1CCC(NC(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000603083258 347284246 /nfs/dbraw/zinc/28/42/46/347284246.db2.gz XTFZNGYZQCJQFD-UHFFFAOYSA-N 0 3 290.342 2.303 20 30 CEEDHN N#C[C@@H](c1ccccc1)n1cc(CCN2CCCCC2)nn1 ZINC000603221986 347313045 /nfs/dbraw/zinc/31/30/45/347313045.db2.gz QKFWHWQWJPOSKW-KRWDZBQOSA-N 0 3 295.390 2.419 20 30 CEEDHN CC(C)[C@@H](N)c1cn(CCCOc2cccc(C#N)c2)nn1 ZINC000603241076 347319505 /nfs/dbraw/zinc/31/95/05/347319505.db2.gz DHHLMNNLMYKNND-MRXNPFEDSA-N 0 3 299.378 2.275 20 30 CEEDHN CC(C#N)C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000610445937 347682145 /nfs/dbraw/zinc/68/21/45/347682145.db2.gz KVZKAYNKSYBQHP-GJZGRUSLSA-N 0 3 285.391 2.269 20 30 CEEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(C(C)(C)CO)CC1 ZINC000610481123 347683752 /nfs/dbraw/zinc/68/37/52/347683752.db2.gz IJVQXCGZQKPZMF-CQSZACIVSA-N 0 3 287.407 2.008 20 30 CEEDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc(C#N)s1 ZINC000610522121 347689202 /nfs/dbraw/zinc/68/92/02/347689202.db2.gz NQTPIJWBUNVHMO-LLVKDONJSA-N 0 3 277.393 2.224 20 30 CEEDHN N#Cc1ccc2ncc(CNCC3(CO)CCCCC3)n2c1 ZINC000610583426 347693728 /nfs/dbraw/zinc/69/37/28/347693728.db2.gz DEZGGIZDOZAZPW-UHFFFAOYSA-N 0 3 298.390 2.238 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611383570 347771141 /nfs/dbraw/zinc/77/11/41/347771141.db2.gz YFZSMBASBBGSPB-ZWNOBZJWSA-N 0 3 250.298 2.182 20 30 CEEDHN COc1ccc(C#N)cc1CN(CCO)CC(C)(C)C ZINC000610953717 347724770 /nfs/dbraw/zinc/72/47/70/347724770.db2.gz QLCYBVOOGZCYIW-UHFFFAOYSA-N 0 3 276.380 2.407 20 30 CEEDHN COC[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)OC ZINC000611591488 347798047 /nfs/dbraw/zinc/79/80/47/347798047.db2.gz KKAANICCCUMJKP-GDBMZVCRSA-N 0 3 274.364 2.187 20 30 CEEDHN N#Cc1cccc(CNCc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000612190651 347855217 /nfs/dbraw/zinc/85/52/17/347855217.db2.gz SKZMVVRHQNECSX-UHFFFAOYSA-N 0 3 278.315 2.430 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@H]1CCCO1 ZINC000130243414 365935865 /nfs/dbraw/zinc/93/58/65/365935865.db2.gz IXYKEJGTCRKPQK-SMDDNHRTSA-N 0 3 260.337 2.224 20 30 CEEDHN C[C@@H]1CN(Cc2ccc(F)cc2C#N)[C@@H](C)CN1C ZINC000351925955 219250561 /nfs/dbraw/zinc/25/05/61/219250561.db2.gz HKLRBGLTJHUQTA-NEPJUHHUSA-N 0 3 261.344 2.222 20 30 CEEDHN C[C@H](CCO)CCNCc1ccc(C#N)cc1F ZINC000295149348 199372888 /nfs/dbraw/zinc/37/28/88/199372888.db2.gz QWOIFEHAUAXNOP-NSHDSACASA-N 0 3 250.317 2.196 20 30 CEEDHN CCC(O)(CC)CNCc1ccc(C#N)cc1F ZINC000087028414 179381989 /nfs/dbraw/zinc/38/19/89/179381989.db2.gz ZHGVZCVFJGYUIW-UHFFFAOYSA-N 0 3 250.317 2.338 20 30 CEEDHN Cc1ccnc(N[C@H]2CN(C(C)C)C[C@@H]2C)c1C#N ZINC000273340478 192119134 /nfs/dbraw/zinc/11/91/34/192119134.db2.gz NPCOFOVVZYFWJL-JSGCOSHPSA-N 0 3 258.369 2.402 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000519815062 328698034 /nfs/dbraw/zinc/69/80/34/328698034.db2.gz GMZJTPYKHZODAQ-MGPQQGTHSA-N 0 3 279.409 2.074 20 30 CEEDHN CC(C#N)C(=O)N1CCN(c2ccccc2F)C[C@H]1C ZINC000616172112 348451600 /nfs/dbraw/zinc/45/16/00/348451600.db2.gz UTHNVVMVNCWXQO-VXGBXAGGSA-N 0 3 275.327 2.022 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000617344497 348682911 /nfs/dbraw/zinc/68/29/11/348682911.db2.gz KCEYSRMRRKWXLQ-BBRMVZONSA-N 0 3 282.428 2.204 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000617779217 348789348 /nfs/dbraw/zinc/78/93/48/348789348.db2.gz XGCZNYAYIBDGOW-UONOGXRCSA-N 0 3 250.386 2.143 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)c2ccc(C#N)c([N+](=O)[O-])c2)CCN1C ZINC000357526613 233089563 /nfs/dbraw/zinc/08/95/63/233089563.db2.gz FDVCBDIIYOYKFR-RISCZKNCSA-N 0 3 288.351 2.385 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc3c(c2)C(=O)NCC3)C1 ZINC000618575585 348980160 /nfs/dbraw/zinc/98/01/60/348980160.db2.gz SKBXYCWDYGBVRF-IUODEOHRSA-N 0 3 283.375 2.144 20 30 CEEDHN CN1CCN(c2ccncc2N[C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000618574586 348980387 /nfs/dbraw/zinc/98/03/87/348980387.db2.gz DCAABDNPTDUSPT-LSDHHAIUSA-N 0 3 299.422 2.328 20 30 CEEDHN CN1CCN(c2ccncc2N[C@H]2CCC[C@H](C#N)C2)CC1 ZINC000618574582 348980504 /nfs/dbraw/zinc/98/05/04/348980504.db2.gz DCAABDNPTDUSPT-GJZGRUSLSA-N 0 3 299.422 2.328 20 30 CEEDHN CC(C)[C@@H](C(=O)N[C@@H]1CCc2cc(C#N)ccc21)N(C)C ZINC000618890077 349060519 /nfs/dbraw/zinc/06/05/19/349060519.db2.gz AQDHWXCDOPGTEU-CVEARBPZSA-N 0 3 285.391 2.248 20 30 CEEDHN C[C@H](CCC#N)CN1CCS[C@H]2COCC[C@@H]21 ZINC000618888432 349061007 /nfs/dbraw/zinc/06/10/07/349061007.db2.gz SZEOSCFOOAWCLD-AGIUHOORSA-N 0 3 254.399 2.133 20 30 CEEDHN C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000619281253 349150286 /nfs/dbraw/zinc/15/02/86/349150286.db2.gz MDXCZQMHSNLKGC-LRDDRELGSA-N 0 3 281.359 2.403 20 30 CEEDHN Cc1nnc(NC[C@@H]2N(C)CCCC2(C)C)c(C#N)c1C ZINC000619158247 349131070 /nfs/dbraw/zinc/13/10/70/349131070.db2.gz GHEKZUIOKNGVKO-AWEZNQCLSA-N 0 3 287.411 2.497 20 30 CEEDHN CN(C)CCOc1cccc(NC(=O)c2ccc(C#N)o2)c1 ZINC000339596307 215264759 /nfs/dbraw/zinc/26/47/59/215264759.db2.gz DYODRKRHFDYLMX-UHFFFAOYSA-N 0 3 299.330 2.344 20 30 CEEDHN C=C(C)[C@@H](CO)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000619785415 349237051 /nfs/dbraw/zinc/23/70/51/349237051.db2.gz MPGIMYMRKXNKBL-CQSZACIVSA-N 0 3 264.325 2.006 20 30 CEEDHN N#CCC1(CNCc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000619530074 349193884 /nfs/dbraw/zinc/19/38/84/349193884.db2.gz JBJADMYZHQPNSU-UHFFFAOYSA-N 0 3 283.375 2.362 20 30 CEEDHN C=CC[C@H]1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000623708288 350087241 /nfs/dbraw/zinc/08/72/41/350087241.db2.gz CFSDOGIYXBEPOI-ZFWWWQNUSA-N 0 3 297.468 2.031 20 30 CEEDHN COCCCOCCN(C)Cc1cccc(C#N)c1 ZINC000091102213 180097178 /nfs/dbraw/zinc/09/71/78/180097178.db2.gz VPHCJGDPYAONSZ-UHFFFAOYSA-N 0 3 262.353 2.043 20 30 CEEDHN C=CCCCNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000623964939 350156866 /nfs/dbraw/zinc/15/68/66/350156866.db2.gz VCLKCOHQENQKRR-CQSZACIVSA-N 0 3 265.401 2.269 20 30 CEEDHN CN(CCCOc1cccc(C#N)c1)CCc1cnccn1 ZINC000271334816 191080920 /nfs/dbraw/zinc/08/09/20/191080920.db2.gz MMAKEXJLFGLUCH-UHFFFAOYSA-N 0 3 296.374 2.292 20 30 CEEDHN CN(C)CCN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CC1 ZINC000412250873 233372672 /nfs/dbraw/zinc/37/26/72/233372672.db2.gz FHONYBYUOOSQPQ-DLBZAZTESA-N 0 3 297.402 2.214 20 30 CEEDHN COc1ccc(CN(C)[C@H]2CCCOC2)cc1C#N ZINC000352223273 219369127 /nfs/dbraw/zinc/36/91/27/219369127.db2.gz URUGNOGKJULFKX-AWEZNQCLSA-N 0 3 260.337 2.178 20 30 CEEDHN C=CC[C@@H]1CCN(CC(=O)N2CCCCCC2)C1 ZINC000625699443 350549681 /nfs/dbraw/zinc/54/96/81/350549681.db2.gz FIMSZMVGVHOBSB-CQSZACIVSA-N 0 3 250.386 2.287 20 30 CEEDHN C=CC[C@@H]1CCN(Cc2cc(=O)n3cc(C)ccc3n2)C1 ZINC000625704494 350551596 /nfs/dbraw/zinc/55/15/96/350551596.db2.gz OABALZCJQYCAKY-CQSZACIVSA-N 0 3 283.375 2.401 20 30 CEEDHN C=CC[C@H]1CCN(CC(=O)N(C)Cc2ccco2)C1 ZINC000625705036 350552016 /nfs/dbraw/zinc/55/20/16/350552016.db2.gz WRYIYEGCPSWXHF-ZDUSSCGKSA-N 0 3 262.353 2.136 20 30 CEEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@H]2C)CC1 ZINC000337003622 365979879 /nfs/dbraw/zinc/97/98/79/365979879.db2.gz XGFGMPVTIXSOOD-TZMCWYRMSA-N 0 3 265.401 2.125 20 30 CEEDHN C=CCCCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625941252 350610783 /nfs/dbraw/zinc/61/07/83/350610783.db2.gz MAKVPRKZIVILTN-UHFFFAOYSA-N 0 3 275.352 2.256 20 30 CEEDHN C=C(C)[C@H](CC(=O)NC[C@H]1CCN1C1CCCC1)OCC ZINC000628965046 351227664 /nfs/dbraw/zinc/22/76/64/351227664.db2.gz IKSCOOQWEWDYSV-CVEARBPZSA-N 0 3 294.439 2.491 20 30 CEEDHN C=CCN(CCc1ccco1)C(=O)CN(C)C1CCC1 ZINC000629979626 351567480 /nfs/dbraw/zinc/56/74/80/351567480.db2.gz SHMVYPDAWXZCGR-UHFFFAOYSA-N 0 3 276.380 2.321 20 30 CEEDHN C=CCN1CC[C@@H](N2CCCC[C@@H](SCC)C2)C1=O ZINC000337131366 366033023 /nfs/dbraw/zinc/03/30/23/366033023.db2.gz AAFSPBNHOOWCBX-ZIAGYGMSSA-N 0 3 282.453 2.381 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@@H]2C[C@H](OCC)C23CCC3)C1=O ZINC000337146978 366040458 /nfs/dbraw/zinc/04/04/58/366040458.db2.gz GADTZVYNNQCXMA-ZNMIVQPWSA-N 0 3 292.423 2.053 20 30 CEEDHN C=C1CC(C)(C(=O)N[C@@H](CC(C)C)CN(C)C)C1 ZINC000630831088 351864844 /nfs/dbraw/zinc/86/48/44/351864844.db2.gz BKLMTYAYFTUVJT-ZDUSSCGKSA-N 0 3 252.402 2.435 20 30 CEEDHN Cc1noc(C)c1CCNCc1cnc2ccc(C#N)cn12 ZINC000123686677 187104698 /nfs/dbraw/zinc/10/46/98/187104698.db2.gz XYZYGBMBRFPYAI-UHFFFAOYSA-N 0 3 295.346 2.143 20 30 CEEDHN COC[C@@H](C)N1CCCN(c2ccccc2C#N)CC1 ZINC000072577792 363147224 /nfs/dbraw/zinc/14/72/24/363147224.db2.gz UIKHCOARLJNNHR-CQSZACIVSA-N 0 3 273.380 2.105 20 30 CEEDHN C=C(C)CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000156344803 188256406 /nfs/dbraw/zinc/25/64/06/188256406.db2.gz MYMZVCQJXNWCTO-CQSZACIVSA-N 0 3 275.396 2.382 20 30 CEEDHN C=CCCC[C@H](C)N(C)[C@H]1CCN(CC=C)C1=O ZINC000337223484 366087676 /nfs/dbraw/zinc/08/76/76/366087676.db2.gz MTDGUURFWTUIME-KBPBESRZSA-N 0 3 250.386 2.450 20 30 CEEDHN Cc1nccnc1CCNCc1ccc(C#N)cc1F ZINC000292898772 198453075 /nfs/dbraw/zinc/45/30/75/198453075.db2.gz DMHNIKZUDZFZKQ-UHFFFAOYSA-N 0 3 270.311 2.128 20 30 CEEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(C#N)s1 ZINC000336417359 213275791 /nfs/dbraw/zinc/27/57/91/213275791.db2.gz QHXXREAIMAFPPR-ZYHUDNBSSA-N 0 3 277.393 2.032 20 30 CEEDHN C[C@H](NC(=O)NCCN(C)C1CC1)c1cccc(C#N)c1 ZINC000074200632 363307384 /nfs/dbraw/zinc/30/73/84/363307384.db2.gz QWHKLAJXEOJJTA-LBPRGKRZSA-N 0 3 286.379 2.013 20 30 CEEDHN C#CC[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000271722084 191292182 /nfs/dbraw/zinc/29/21/82/191292182.db2.gz QITQORYMCKVWFQ-HNNXBMFYSA-N 0 3 284.319 2.146 20 30 CEEDHN C=CCn1c(CCCC)nnc1N1CCN2CCC[C@H]2C1 ZINC000337903727 366182690 /nfs/dbraw/zinc/18/26/90/366182690.db2.gz LHDRNOOMURTYDY-AWEZNQCLSA-N 0 3 289.427 2.091 20 30 CEEDHN N#Cc1cc(F)ccc1NC(=O)NCCN1CCCCC1 ZINC000132953225 366183079 /nfs/dbraw/zinc/18/30/79/366183079.db2.gz QCKQHRCFWYSZES-UHFFFAOYSA-N 0 3 290.342 2.305 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N[C@H](C)CN1CCCCC1 ZINC000338140992 366208867 /nfs/dbraw/zinc/20/88/67/366208867.db2.gz AVUAHKXZWVRFBB-CYBMUJFWSA-N 0 3 285.391 2.471 20 30 CEEDHN CC(C)C[C@@H]1CCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000074995406 363432954 /nfs/dbraw/zinc/43/29/54/363432954.db2.gz ORPHNHDWFIOKQY-KBPBESRZSA-N 0 3 265.401 2.115 20 30 CEEDHN C[C@@H](NC[C@]1(O)CCSC1)c1cccc(C#N)c1 ZINC000271852848 191368215 /nfs/dbraw/zinc/36/82/15/191368215.db2.gz IXAKZOFEUDADCQ-BXUZGUMPSA-N 0 3 262.378 2.077 20 30 CEEDHN C=CCOCCNc1nc(NCC)nc(NC(C)(C)C)n1 ZINC000672249444 540157326 /nfs/dbraw/zinc/15/73/26/540157326.db2.gz AJSNGGRAZSCRIW-UHFFFAOYSA-N 0 3 294.403 2.128 20 30 CEEDHN N#Cc1c2c(cnc1NC1CCN(C3CC3)CC1)CCC2 ZINC000570203123 299244763 /nfs/dbraw/zinc/24/47/63/299244763.db2.gz OTBTZKSHGLQKRO-UHFFFAOYSA-N 0 3 282.391 2.481 20 30 CEEDHN N#Cc1ccc2c(c1)[C@@H](NCC1=CCCOC1)CC2 ZINC000334592572 283196643 /nfs/dbraw/zinc/19/66/43/283196643.db2.gz BBUYHVXSIPFYCJ-INIZCTEOSA-N 0 3 254.333 2.482 20 30 CEEDHN C=CCCCN(C)CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000076736794 363544445 /nfs/dbraw/zinc/54/44/45/363544445.db2.gz ZYFRVSVKNQVFCV-ZIAGYGMSSA-N 0 3 295.427 2.289 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](NCCN1CC=CCC1)CC2 ZINC000353643109 283198048 /nfs/dbraw/zinc/19/80/48/283198048.db2.gz VOWWBIXPWGHQJT-QGZVFWFLSA-N 0 3 267.376 2.397 20 30 CEEDHN N#Cc1nnc2ccccc2c1N[C@H]1CCN(C2CC2)C1 ZINC000076324388 363536524 /nfs/dbraw/zinc/53/65/24/363536524.db2.gz WFWUBBOPFLRKHL-NSHDSACASA-N 0 3 279.347 2.150 20 30 CEEDHN N#Cc1cnn2cc(CN3CCC[C@@H]3C3CCC3)cnc12 ZINC000577851333 366405881 /nfs/dbraw/zinc/40/58/81/366405881.db2.gz VFPFERVPEVVPPY-OAHLLOKOSA-N 0 3 281.363 2.365 20 30 CEEDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C#N)cc1 ZINC000345873906 283409890 /nfs/dbraw/zinc/40/98/90/283409890.db2.gz JFLFPOCZRXLTIJ-NILFDRSVSA-N 0 3 271.364 2.124 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCO[C@]3(CCSC3)C2)o1 ZINC000151334532 366639328 /nfs/dbraw/zinc/63/93/28/366639328.db2.gz GCWATWBKMPJJAL-SMDDNHRTSA-N 0 3 278.377 2.296 20 30 CEEDHN CC(C)[C@@H](CO)CNCc1ccc(C#N)cc1F ZINC000342217838 216265227 /nfs/dbraw/zinc/26/52/27/216265227.db2.gz YWHQGSINTAUKFG-CYBMUJFWSA-N 0 3 250.317 2.051 20 30 CEEDHN CC#CCN[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000180016123 189232626 /nfs/dbraw/zinc/23/26/26/189232626.db2.gz CTAWZCVQPPAOKN-RISCZKNCSA-N 0 3 272.348 2.470 20 30 CEEDHN C=C(C)[C@H](CO)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000677047071 540975871 /nfs/dbraw/zinc/97/58/71/540975871.db2.gz QXBUKNJPEBAQGG-KRWDZBQOSA-N 0 3 292.398 2.270 20 30 CEEDHN CC1(CCNCCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000579703424 366685929 /nfs/dbraw/zinc/68/59/29/366685929.db2.gz CXXJLEKUMLOYQA-UHFFFAOYSA-N 0 3 292.404 2.112 20 30 CEEDHN C=CCCOCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000677620071 541028841 /nfs/dbraw/zinc/02/88/41/541028841.db2.gz QEBSQYIGCZVYAZ-NVXWUHKLSA-N 0 3 288.391 2.141 20 30 CEEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)Cc1ccccc1 ZINC000181290461 189293580 /nfs/dbraw/zinc/29/35/80/189293580.db2.gz HGUKRVNXHVMIPV-CYBMUJFWSA-N 0 3 296.374 2.137 20 30 CEEDHN C=CCCO[C@H](C)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000638668064 370674162 /nfs/dbraw/zinc/67/41/62/370674162.db2.gz QOSVCLAGOFHSSW-GFCCVEGCSA-N 0 3 290.363 2.088 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000678737598 541168700 /nfs/dbraw/zinc/16/87/00/541168700.db2.gz SKZZSPIILFYNIN-XHDPSFHLSA-N 0 3 262.353 2.233 20 30 CEEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(C#N)cs1 ZINC000084182647 363800856 /nfs/dbraw/zinc/80/08/56/363800856.db2.gz ZAMXOQYEWRYEJS-VXGBXAGGSA-N 0 3 291.420 2.470 20 30 CEEDHN CC[C@@H](NCCOc1ccc(C#N)cc1)c1cnn(C)c1 ZINC000090107587 364040660 /nfs/dbraw/zinc/04/06/60/364040660.db2.gz GDIATUGOQBHQKD-MRXNPFEDSA-N 0 3 284.363 2.411 20 30 CEEDHN CCN1CCC[C@H]1CNc1snc(C)c1C#N ZINC000092912263 364114252 /nfs/dbraw/zinc/11/42/52/364114252.db2.gz VDVYXTPTUALUHP-JTQLQIEISA-N 0 3 250.371 2.219 20 30 CEEDHN C[C@@H]1CCN(CCCOc2cccc(C#N)c2)C[C@@H]1O ZINC000093344258 364168247 /nfs/dbraw/zinc/16/82/47/364168247.db2.gz KSTOCENJMBZYSS-CJNGLKHVSA-N 0 3 274.364 2.030 20 30 CEEDHN N#CC1CCC(CNC(=O)C23CCCN2CCC3)CC1 ZINC000335181633 364587928 /nfs/dbraw/zinc/58/79/28/364587928.db2.gz AOCPFXKTQBAKLU-UHFFFAOYSA-N 0 3 275.396 2.061 20 30 CEEDHN Cc1cc(CN2CC[C@@](O)(C3CC3)C2)ccc1C#N ZINC000335211796 364630085 /nfs/dbraw/zinc/63/00/85/364630085.db2.gz IGOBINNZSDBJQS-INIZCTEOSA-N 0 3 256.349 2.214 20 30 CEEDHN CC(C#N)C(=O)N1CCCN(c2ccccc2F)CC1 ZINC000335414942 364706786 /nfs/dbraw/zinc/70/67/86/364706786.db2.gz ZDUTYVMNFYVAKC-GFCCVEGCSA-N 0 3 275.327 2.024 20 30 CEEDHN N#CC1(C(=O)N2CC[C@H](N3CCCCC3)C2)CCCC1 ZINC000110250454 364720800 /nfs/dbraw/zinc/72/08/00/364720800.db2.gz FOKQUFLNYHPBIY-AWEZNQCLSA-N 0 3 275.396 2.157 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(COC)CC1 ZINC000112354708 364799064 /nfs/dbraw/zinc/79/90/64/364799064.db2.gz LCWZZLCZYIJUST-CQSZACIVSA-N 0 3 282.428 2.158 20 30 CEEDHN C=CC1CCN(C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000111818806 364761355 /nfs/dbraw/zinc/76/13/55/364761355.db2.gz WMAAWZFXUAJDCY-CQSZACIVSA-N 0 3 279.428 2.468 20 30 CEEDHN CC(C)N(C)CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000113175443 364874670 /nfs/dbraw/zinc/87/46/70/364874670.db2.gz ZKCLMFAKBJCGFY-CYBMUJFWSA-N 0 3 279.771 2.361 20 30 CEEDHN N#Cc1ccc(CN2CC[C@H](O)CC23CCC3)cc1 ZINC000335611197 212324193 /nfs/dbraw/zinc/32/41/93/212324193.db2.gz PTZPSKFVWSSVCO-HNNXBMFYSA-N 0 3 256.349 2.438 20 30 CEEDHN C=CC[C@@H](CO)N[C@H]1CCc2c1cc(F)cc2F ZINC000680470682 541416706 /nfs/dbraw/zinc/41/67/06/541416706.db2.gz MPAXYCRLSZIHJW-HZMBPMFUSA-N 0 3 253.292 2.479 20 30 CEEDHN C=CC[C@H](CO)N[C@@H]1CCc2c1cc(F)cc2F ZINC000680470684 541416847 /nfs/dbraw/zinc/41/68/47/541416847.db2.gz MPAXYCRLSZIHJW-QMTHXVAHSA-N 0 3 253.292 2.479 20 30 CEEDHN C#CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000116435214 365056530 /nfs/dbraw/zinc/05/65/30/365056530.db2.gz XVVYCTWJAZLXSX-AWEZNQCLSA-N 0 3 285.391 2.144 20 30 CEEDHN C[C@@H](O)C[C@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000159232302 366891345 /nfs/dbraw/zinc/89/13/45/366891345.db2.gz WZEWWROOIGJXOO-BXUZGUMPSA-N 0 3 262.328 2.433 20 30 CEEDHN CCCCN1CCCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000120836601 365483092 /nfs/dbraw/zinc/48/30/92/365483092.db2.gz WBUPOJITBGGTGX-AWEZNQCLSA-N 0 3 288.395 2.271 20 30 CEEDHN CC(C)[C@@H](O)C(C)(C)CNC[C@H](C#N)CCC#N ZINC000582421103 366909680 /nfs/dbraw/zinc/90/96/80/366909680.db2.gz WWRNKONJJCIJAR-QWHCGFSZSA-N 0 3 251.374 2.063 20 30 CEEDHN C=C(C)C[C@@H](C)C(=O)N1CCN(c2ccncc2)CC1 ZINC000680992848 541483955 /nfs/dbraw/zinc/48/39/55/541483955.db2.gz UBHXBWYNNMPICQ-CQSZACIVSA-N 0 3 273.380 2.333 20 30 CEEDHN COCCCN(CCOC)Cc1ccc(F)c(C#N)c1 ZINC000160956723 367044831 /nfs/dbraw/zinc/04/48/31/367044831.db2.gz VVHDVRQQFBWOGZ-UHFFFAOYSA-N 0 3 280.343 2.182 20 30 CEEDHN CN1CC[C@@H](NC(=O)NCC2(C#N)CC2)[C@@H]1c1ccccc1 ZINC000583299602 367028768 /nfs/dbraw/zinc/02/87/68/367028768.db2.gz FYSBBCJQAOYANC-CABCVRRESA-N 0 3 298.390 2.035 20 30 CEEDHN CCN(C[C@@H]1CCCN1CC)C(=O)Cc1cccc(C#N)c1 ZINC000583890970 367111783 /nfs/dbraw/zinc/11/17/83/367111783.db2.gz RVVSZXYIBFHHJC-KRWDZBQOSA-N 0 3 299.418 2.434 20 30 CEEDHN C[C@H]1C[C@H](CO)CN(Cc2ccc(C#N)c(F)c2)C1 ZINC000335555279 212261557 /nfs/dbraw/zinc/26/15/57/212261557.db2.gz LREQWPYOSBRCOS-AAEUAGOBSA-N 0 3 262.328 2.148 20 30 CEEDHN Cc1ccc([C@@H](CNC(=O)C(C)C#N)N2CCCC2)o1 ZINC000357887816 370833501 /nfs/dbraw/zinc/83/35/01/370833501.db2.gz CVIPPCAMLCUIAV-DGCLKSJQSA-N 0 3 275.352 2.001 20 30 CEEDHN CC(C#N)C(=O)N[C@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000357925386 370836835 /nfs/dbraw/zinc/83/68/35/370836835.db2.gz HWJBAXVAJYHMCA-UGFHNGPFSA-N 0 3 280.331 2.004 20 30 CEEDHN CC(C#N)C(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000357830268 370830484 /nfs/dbraw/zinc/83/04/84/370830484.db2.gz PQPBGHSWYARAGH-ZDUSSCGKSA-N 0 3 286.379 2.238 20 30 CEEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000357834228 370830617 /nfs/dbraw/zinc/83/06/17/370830617.db2.gz QPQMYZOJPZLBFW-GHMZBOCLSA-N 0 3 285.347 2.372 20 30 CEEDHN COc1ccc([C@H](NC(=O)C(C)C#N)C2CC2)cc1 ZINC000357826923 370831188 /nfs/dbraw/zinc/83/11/88/370831188.db2.gz MNAILKTYRDKONB-IINYFYTJSA-N 0 3 258.321 2.422 20 30 CEEDHN CC(C)[C@H](C(=O)NCC1(C#N)CCCCC1)N(C)C ZINC000598309248 367211193 /nfs/dbraw/zinc/21/11/93/367211193.db2.gz WMFCWOKOJYTLIQ-CYBMUJFWSA-N 0 3 265.401 2.163 20 30 CEEDHN Cc1cc(C#N)cc(NC2CCN(C3CC3)CC2)n1 ZINC000341415384 367330231 /nfs/dbraw/zinc/33/02/31/367330231.db2.gz DIOOYSGFTLEMEX-UHFFFAOYSA-N 0 3 256.353 2.300 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 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C=CCNC(=O)[C@H](C)N1CCCc2ccccc2C1 ZINC000171592582 367573065 /nfs/dbraw/zinc/57/30/65/367573065.db2.gz ZPBSJURBKUWGFQ-ZDUSSCGKSA-N 0 3 258.365 2.126 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2ccsc2)CC1 ZINC000171724847 367603128 /nfs/dbraw/zinc/60/31/28/367603128.db2.gz GJYSPFITDOQEPP-UHFFFAOYSA-N 0 3 264.394 2.057 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000171725349 367603891 /nfs/dbraw/zinc/60/38/91/367603891.db2.gz OGUFCIVIWOJTRQ-UHFFFAOYSA-N 0 3 258.365 2.375 20 30 CEEDHN C#CCOc1ccc(CNCCC(=O)N[C@@H](C)CC)cc1 ZINC000172114333 367675821 /nfs/dbraw/zinc/67/58/21/367675821.db2.gz RJDUCHYAPMBKLV-AWEZNQCLSA-N 0 3 288.391 2.093 20 30 CEEDHN CC[C@H](C)N[C@H](CNc1nccnc1C#N)c1ccco1 ZINC000343279978 367741068 /nfs/dbraw/zinc/74/10/68/367741068.db2.gz YQNSGSMJRNCKHZ-WCQYABFASA-N 0 3 285.351 2.483 20 30 CEEDHN C#CCOc1ccc(CNC[C@H]2CCC=CO2)cc1 ZINC000275896194 193157459 /nfs/dbraw/zinc/15/74/59/193157459.db2.gz YRHBRDDDXFBAFZ-MRXNPFEDSA-N 0 3 257.333 2.481 20 30 CEEDHN CC(C#N)C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000343362414 367773004 /nfs/dbraw/zinc/77/30/04/367773004.db2.gz JBWPJQRYHCHIKW-MRVWCRGKSA-N 0 3 258.321 2.040 20 30 CEEDHN CN(Cc1cc(C#N)ccc1F)[C@H]1CC[C@H](O)CC1 ZINC000275904556 193159030 /nfs/dbraw/zinc/15/90/30/193159030.db2.gz VQZWKESUYAYFIV-HDJSIYSDSA-N 0 3 262.328 2.433 20 30 CEEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCCCCC#N ZINC000245829211 370877195 /nfs/dbraw/zinc/87/71/95/370877195.db2.gz QIZKLEPXBNJXLJ-KBPBESRZSA-N 0 3 280.416 2.100 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000173206311 367884787 /nfs/dbraw/zinc/88/47/87/367884787.db2.gz ORDHFPMCNFPKJH-ZIAGYGMSSA-N 0 3 298.390 2.214 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000345166697 368177525 /nfs/dbraw/zinc/17/75/25/368177525.db2.gz SVEIPAXQJOVSHE-SWLSCSKDSA-N 0 3 286.379 2.471 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C)[C@H](C)C2)CC1 ZINC000179316351 368331948 /nfs/dbraw/zinc/33/19/48/368331948.db2.gz PUCQMTQEFNKNJV-UONOGXRCSA-N 0 3 279.428 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259.353 2.099 20 30 CEEDHN N#CCCCCN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000346019417 368518116 /nfs/dbraw/zinc/51/81/16/368518116.db2.gz SAKCWBANXBHKCQ-VHSXEESVSA-N 0 3 250.264 2.068 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H](C)C#N)C(C)C ZINC000182565978 368568462 /nfs/dbraw/zinc/56/84/62/368568462.db2.gz LGDKCWJWNGCWDF-LSDHHAIUSA-N 0 3 292.427 2.144 20 30 CEEDHN CCCN(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182714311 368582987 /nfs/dbraw/zinc/58/29/87/368582987.db2.gz WZKIVCJUVGWFQN-HNNXBMFYSA-N 0 3 271.364 2.395 20 30 CEEDHN CCN1C[C@@H](C)N(Cc2cc(C#N)ccc2OC)C[C@H]1C ZINC000346224644 368599160 /nfs/dbraw/zinc/59/91/60/368599160.db2.gz YXCFLVWUOFQDSF-ZIAGYGMSSA-N 0 3 287.407 2.481 20 30 CEEDHN COC(=O)[C@H](C)CN(Cc1cc(C#N)cs1)C1CC1 ZINC000184719452 368714464 /nfs/dbraw/zinc/71/44/64/368714464.db2.gz KDXKQXSJYRCSJZ-SNVBAGLBSA-N 0 3 278.377 2.393 20 30 CEEDHN C[C@@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(C#N)cc1 ZINC000338367281 296125721 /nfs/dbraw/zinc/12/57/21/296125721.db2.gz 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/nfs/dbraw/zinc/59/43/98/370594398.db2.gz JUHKCUDMBBDYEU-UHFFFAOYSA-N 0 3 294.439 2.350 20 30 CEEDHN N#Cc1cc(CN[C@@H]2CCO[C@@H]2C2CC2)ccc1F ZINC000236158661 370584517 /nfs/dbraw/zinc/58/45/17/370584517.db2.gz BFVWXWBARDNJKI-HUUCEWRRSA-N 0 3 260.312 2.354 20 30 CEEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](N)CCC ZINC000236794299 370628899 /nfs/dbraw/zinc/62/88/99/370628899.db2.gz KZVIHQCSQXBGII-HNNXBMFYSA-N 0 3 276.380 2.337 20 30 CEEDHN C=CCN1CCC(NC(=O)CC[C@H](C)SC)CC1 ZINC000358411349 371055243 /nfs/dbraw/zinc/05/52/43/371055243.db2.gz WVRWKKLAOSDBRF-LBPRGKRZSA-N 0 3 270.442 2.285 20 30 CEEDHN C=C(CC)CN1CCC2(CC1)[C@H](OCC)C[C@@H]2O ZINC000358514290 371099571 /nfs/dbraw/zinc/09/95/71/371099571.db2.gz VVFDNBFVPZOZEB-UONOGXRCSA-N 0 3 253.386 2.205 20 30 CEEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CCc1ccc(C#N)cc1 ZINC000247550760 371124556 /nfs/dbraw/zinc/12/45/56/371124556.db2.gz YTNFMCGPWLECJU-WMLDXEAASA-N 0 3 299.418 2.289 20 30 CEEDHN CSC[C@@H](CCO)N[C@H](C)c1ccc(C#N)cc1F ZINC000358592195 371130866 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371246106 /nfs/dbraw/zinc/24/61/06/371246106.db2.gz ZAKSOIRECFHWHU-UHFFFAOYSA-N 0 3 288.438 2.230 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000249288371 371311081 /nfs/dbraw/zinc/31/10/81/371311081.db2.gz QFAKLLNMJLTXKA-SOUVJXGZSA-N 0 3 287.407 2.006 20 30 CEEDHN N#Cc1cccc(CN2CC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000287325498 376205830 /nfs/dbraw/zinc/20/58/30/376205830.db2.gz KERFNCMJCLORAB-INIZCTEOSA-N 0 3 283.375 2.003 20 30 CEEDHN C[C@H](NC[C@@H]1CN2CCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000252546738 371455038 /nfs/dbraw/zinc/45/50/38/371455038.db2.gz KUYLOCNOJVIVAB-RRQGHBQHSA-N 0 3 285.391 2.072 20 30 CEEDHN C=CCOCCN[C@H](c1ccncc1)C1(CO)CCC1 ZINC000639880144 371637425 /nfs/dbraw/zinc/63/74/25/371637425.db2.gz SPHGNOOPABBDPY-OAHLLOKOSA-N 0 3 276.380 2.078 20 30 CEEDHN CCN(CC(=O)N(CC)C[C@H](C)C#N)CC(C)(C)C ZINC000361530385 371901030 /nfs/dbraw/zinc/90/10/30/371901030.db2.gz ZMJHJWKNDOUKHL-CYBMUJFWSA-N 0 3 267.417 2.363 20 30 CEEDHN CN(C)C/C=C/C(=O)Nc1cccc(OCCCC#N)c1 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ZINC000268922858 372289433 /nfs/dbraw/zinc/28/94/33/372289433.db2.gz XAAVITVMQBDRQL-NSHDSACASA-N 0 3 251.399 2.444 20 30 CEEDHN CCC[C@@](C)(CO)NCc1ccc(C#N)cc1F ZINC000344315296 217146569 /nfs/dbraw/zinc/14/65/69/217146569.db2.gz IDWQKNXHVKOPMV-AWEZNQCLSA-N 0 3 250.317 2.338 20 30 CEEDHN N#Cc1csc(CNC2(CO)Cc3ccccc3C2)c1 ZINC000344321935 217149244 /nfs/dbraw/zinc/14/92/44/217149244.db2.gz WMJDTXXFGZENFA-UHFFFAOYSA-N 0 3 284.384 2.239 20 30 CEEDHN COc1ccc(CN(C)[C@H](CO)C(C)(C)C)cc1C#N ZINC000269731592 372552323 /nfs/dbraw/zinc/55/23/23/372552323.db2.gz YBZGQISRDOMHKG-OAHLLOKOSA-N 0 3 276.380 2.406 20 30 CEEDHN CC#CC[C@H](CO)NCc1ccc2c(c1)OCCCCO2 ZINC000641767516 372706405 /nfs/dbraw/zinc/70/64/05/372706405.db2.gz LNAZOAHJXLXUOF-OAHLLOKOSA-N 0 3 289.375 2.102 20 30 CEEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000270534526 372831168 /nfs/dbraw/zinc/83/11/68/372831168.db2.gz GDYYNQPTWVZVKT-INIZCTEOSA-N 0 3 270.376 2.294 20 30 CEEDHN CN(CCC#N)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000365426584 372856726 /nfs/dbraw/zinc/85/67/26/372856726.db2.gz WFLXYVSFWZHYNX-CQSZACIVSA-N 0 3 263.385 2.156 20 30 CEEDHN CS[C@H]1CN(Cc2ccccc2C#N)C[C@H]1N(C)C ZINC000270667535 372890524 /nfs/dbraw/zinc/89/05/24/372890524.db2.gz QLUAYZWNWTYJIB-CABCVRRESA-N 0 3 275.421 2.036 20 30 CEEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cccc(C#N)c1 ZINC000271038966 373083733 /nfs/dbraw/zinc/08/37/33/373083733.db2.gz QPSMEOANWHPOEX-CYBMUJFWSA-N 0 3 285.391 2.361 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ncccc2CC)CC1 ZINC000271080458 373107854 /nfs/dbraw/zinc/10/78/54/373107854.db2.gz YFLHVCQPOJQSAH-UHFFFAOYSA-N 0 3 273.380 2.024 20 30 CEEDHN C#CCOc1ccc(CN(CCCOC)CCOC)cc1 ZINC000271112228 373125811 /nfs/dbraw/zinc/12/58/11/373125811.db2.gz FIWIJZXDNNGPFS-UHFFFAOYSA-N 0 3 291.391 2.184 20 30 CEEDHN CC(C)(C)N1CC[C@](F)(C(=O)NCC2(CC#N)CC2)C1 ZINC000367966719 373202644 /nfs/dbraw/zinc/20/26/44/373202644.db2.gz QHENHHWMQASYHW-OAHLLOKOSA-N 0 3 281.375 2.009 20 30 CEEDHN C=CCOc1ccc(C(=O)N2CCNCC2(C)C)cc1 ZINC000644074129 373381493 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ZINC000274651600 374000462 /nfs/dbraw/zinc/00/04/62/374000462.db2.gz GPTPLKTZTZVYEH-HOCLYGCPSA-N 0 3 279.347 2.206 20 30 CEEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1ccc(C#N)s1 ZINC000289521015 197387015 /nfs/dbraw/zinc/38/70/15/197387015.db2.gz HCQKZORSGMWWRX-WDZICOIVSA-N 0 3 274.389 2.475 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H]2CCO)c(F)c1 ZINC000275076308 374148484 /nfs/dbraw/zinc/14/84/84/374148484.db2.gz ZUPRINVTSRHFHW-DOMZBBRYSA-N 0 3 262.328 2.338 20 30 CEEDHN C=C(C)CCN[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000275199683 374184380 /nfs/dbraw/zinc/18/43/80/374184380.db2.gz QDRBORFREIPMBC-SNVBAGLBSA-N 0 3 276.344 2.108 20 30 CEEDHN C=C(C)CC[NH2+][C@@H](c1nc(-c2nc[n-]n2)no1)C(C)C ZINC000275199683 374184387 /nfs/dbraw/zinc/18/43/87/374184387.db2.gz QDRBORFREIPMBC-SNVBAGLBSA-N 0 3 276.344 2.108 20 30 CEEDHN Cc1ccc(F)cc1CN1CCC(n2cnc(C#N)n2)CC1 ZINC000373405571 374345305 /nfs/dbraw/zinc/34/53/05/374345305.db2.gz UHCSLHQUQZHAMB-UHFFFAOYSA-N 0 3 299.353 2.434 20 30 CEEDHN CN(Cc1cc(C#N)n(C)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000373822071 374426849 /nfs/dbraw/zinc/42/68/49/374426849.db2.gz WOGUHDURQGYIET-ZNMIVQPWSA-N 0 3 273.380 2.142 20 30 CEEDHN COc1cc(CN2CCCN(C3CC3)CC2)ccc1C#N ZINC000374204727 374510480 /nfs/dbraw/zinc/51/04/80/374510480.db2.gz KVRQGIUDQHSLOA-UHFFFAOYSA-N 0 3 285.391 2.237 20 30 CEEDHN C#CCCN(C)[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000374909076 374636148 /nfs/dbraw/zinc/63/61/48/374636148.db2.gz GCIFJYYYBLUALK-FUHWJXTLSA-N 0 3 286.419 2.231 20 30 CEEDHN C#CCOc1ccc(CN2CCC[C@H]3COC[C@H]32)cc1 ZINC000375702798 374671799 /nfs/dbraw/zinc/67/17/99/374671799.db2.gz DEJODJWFOYOQPG-DOTOQJQBSA-N 0 3 271.360 2.309 20 30 CEEDHN Cn1cc(CN[C@H]2c3ccccc3CC[C@H]2CO)cc1C#N ZINC000377025216 374775607 /nfs/dbraw/zinc/77/56/07/374775607.db2.gz QJXQGNKEASLZIN-MAUKXSAKSA-N 0 3 295.386 2.282 20 30 CEEDHN Cn1cc(CNC[C@H]2OCCc3ccccc32)cc1C#N ZINC000377025056 374775631 /nfs/dbraw/zinc/77/56/31/374775631.db2.gz OANNLWPSQVJVAH-QGZVFWFLSA-N 0 3 281.359 2.300 20 30 CEEDHN C#CCOc1ccccc1CNCCN1CC=CCC1 ZINC000279883063 375019888 /nfs/dbraw/zinc/01/98/88/375019888.db2.gz URBNFJZMROCKMX-UHFFFAOYSA-N 0 3 270.376 2.050 20 30 CEEDHN C[C@H](C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379720528 375155582 /nfs/dbraw/zinc/15/55/82/375155582.db2.gz ZATSMANWZBLEDG-IJEWVQPXSA-N 0 3 285.391 2.315 20 30 CEEDHN C#C[C@H](NC[C@H](O)COc1ccccc1Cl)C(C)C ZINC000387630209 375279590 /nfs/dbraw/zinc/27/95/90/375279590.db2.gz HUZBPTCPPFEFDL-JSGCOSHPSA-N 0 3 281.783 2.327 20 30 CEEDHN C=CC[C@@H](CC)N[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000281377188 375376357 /nfs/dbraw/zinc/37/63/57/375376357.db2.gz YPXKDDFSEMIOGJ-ZIAGYGMSSA-N 0 3 264.344 2.166 20 30 CEEDHN CC(C)[C@H](C(=O)N[C@H]1CCC[C@H]1C#N)N1CCCCC1 ZINC000408339199 375457512 /nfs/dbraw/zinc/45/75/12/375457512.db2.gz OKPRVLGTPQAAQE-SOUVJXGZSA-N 0 3 277.412 2.305 20 30 CEEDHN CC1CCC(N2CCN(c3nccc(C#N)n3)CC2)CC1 ZINC000408456498 375485170 /nfs/dbraw/zinc/48/51/70/375485170.db2.gz JAHWOOQUQGTCQG-UHFFFAOYSA-N 0 3 285.395 2.049 20 30 CEEDHN C=CCOCCN[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000684557555 542033288 /nfs/dbraw/zinc/03/32/88/542033288.db2.gz XBKFFWGYOQMWRL-AWEZNQCLSA-N 0 3 277.364 2.483 20 30 CEEDHN CC(C)(C)[C@H](O)CN1CCN(c2ccccc2C#N)CC1 ZINC000284236575 375826541 /nfs/dbraw/zinc/82/65/41/375826541.db2.gz KOCYUBZCSXFZKG-MRXNPFEDSA-N 0 3 287.407 2.087 20 30 CEEDHN C=CC(C)(C)CNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418242022 376244189 /nfs/dbraw/zinc/24/41/89/376244189.db2.gz AFHGQNMREQCMPG-HNNXBMFYSA-N 0 3 287.407 2.385 20 30 CEEDHN Cc1nsc(NCCCN2CCCO[C@H](C)C2)c1C#N ZINC000287817714 376321556 /nfs/dbraw/zinc/32/15/56/376321556.db2.gz QCJXASITBMMNCO-LLVKDONJSA-N 0 3 294.424 2.236 20 30 CEEDHN N#Cc1cc(NC[C@@H]2CCCCN2C2CC2)ccn1 ZINC000287952396 376348997 /nfs/dbraw/zinc/34/89/97/376348997.db2.gz YNKGTWXCNXHLHU-HNNXBMFYSA-N 0 3 256.353 2.382 20 30 CEEDHN CC[C@@H](CN1CCCN(c2ccccc2C#N)CC1)OC ZINC000419177554 376387511 /nfs/dbraw/zinc/38/75/11/376387511.db2.gz AGYSXOXSWLJDBW-INIZCTEOSA-N 0 3 287.407 2.495 20 30 CEEDHN N#CCCOCCN1CCSC[C@H]1C1CCC1 ZINC000419370393 376445354 /nfs/dbraw/zinc/44/53/54/376445354.db2.gz GYRYXARNLCRJCO-ZDUSSCGKSA-N 0 3 254.399 2.134 20 30 CEEDHN COc1cc(C#N)ccc1CN1CCCC[C@H]1[C@@H](C)O ZINC000305728635 376459233 /nfs/dbraw/zinc/45/92/33/376459233.db2.gz MNNOFLSATAOEAO-DOMZBBRYSA-N 0 3 274.364 2.302 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N(C)C[C@H](C)c1ccccc1 ZINC000263888622 190083398 /nfs/dbraw/zinc/08/33/98/190083398.db2.gz RAAYMAFBLHSYSW-UONOGXRCSA-N 0 3 260.381 2.413 20 30 CEEDHN Cc1nsc(NCCCNCc2cccnc2)c1C#N ZINC000420177867 376591443 /nfs/dbraw/zinc/59/14/43/376591443.db2.gz DEHIVNDEOLJCNT-UHFFFAOYSA-N 0 3 287.392 2.310 20 30 CEEDHN Cc1c(C#N)c(N2CCN[C@H](C)C2)nc2ccccc12 ZINC000420239070 376648869 /nfs/dbraw/zinc/64/88/69/376648869.db2.gz LYOZDTVMRRSORR-LLVKDONJSA-N 0 3 266.348 2.213 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](CCO)CC1 ZINC000421008639 376783956 /nfs/dbraw/zinc/78/39/56/376783956.db2.gz DNSVRGKMBQVFJQ-HZPDHXFCSA-N 0 3 296.455 2.284 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](CCO)CC1 ZINC000421008638 376785456 /nfs/dbraw/zinc/78/54/56/376785456.db2.gz DNSVRGKMBQVFJQ-HOTGVXAUSA-N 0 3 296.455 2.284 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C[C@H]2CCc3ccccc32)C1=O ZINC000685004081 542109525 /nfs/dbraw/zinc/10/95/25/542109525.db2.gz BCVMVTPQPZSYPB-NVXWUHKLSA-N 0 3 284.403 2.435 20 30 CEEDHN N#Cc1csc(CN[C@H]2CCN(C3CCCC3)C2)n1 ZINC000562078527 376842199 /nfs/dbraw/zinc/84/21/99/376842199.db2.gz KVGUHRRDSKFGBH-NSHDSACASA-N 0 3 276.409 2.121 20 30 CEEDHN C#CCN(C)CCCNC(=O)C(C1CCC1)C1CCC1 ZINC000328213997 376846164 /nfs/dbraw/zinc/84/61/64/376846164.db2.gz XHMXDSIKKDLEDP-UHFFFAOYSA-N 0 3 276.424 2.274 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000562701258 376975312 /nfs/dbraw/zinc/97/53/12/376975312.db2.gz FMNKLQJDYSEEJC-IXDOHACOSA-N 0 3 297.402 2.262 20 30 CEEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](c3nncn3C3CC3)C2)C1 ZINC000328855381 376909767 /nfs/dbraw/zinc/90/97/67/376909767.db2.gz TWXUZHWCKBNYJP-IPYPFGDCSA-N 0 3 285.395 2.485 20 30 CEEDHN C=CCCN(C)Cc1cc(C(=O)OC)c(C)n1C ZINC000291027608 377039192 /nfs/dbraw/zinc/03/91/92/377039192.db2.gz IGAHOBSMDUFPSE-UHFFFAOYSA-N 0 3 250.342 2.128 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)NCC1C[C@H](C)O[C@@H](C)C1 ZINC000329670709 376987636 /nfs/dbraw/zinc/98/76/36/376987636.db2.gz TUGAOXSHBZGEKC-KCQAQPDRSA-N 0 3 297.443 2.178 20 30 CEEDHN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CNCc2ccccc21 ZINC000563154665 377108417 /nfs/dbraw/zinc/10/84/17/377108417.db2.gz SGLZBBSIWAVDNS-CYBMUJFWSA-N 0 3 298.308 2.450 20 30 CEEDHN C[C@](O)(CNCCc1cccc(C#N)c1)C(F)(F)F ZINC000563003499 377055477 /nfs/dbraw/zinc/05/54/77/377055477.db2.gz UMGQJZQFTKFFJN-LBPRGKRZSA-N 0 3 272.270 2.004 20 30 CEEDHN C[C@@H](CCO)C1(CNC[C@@H](C#N)CCC#N)CCC1 ZINC000563138775 377104165 /nfs/dbraw/zinc/10/41/65/377104165.db2.gz RMDOKQVDZPADNK-UONOGXRCSA-N 0 3 263.385 2.208 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](C(N)=O)CC[C@H]1C ZINC000330591425 377194477 /nfs/dbraw/zinc/19/44/77/377194477.db2.gz QWNNPJOZEIMJGV-OLZOCXBDSA-N 0 3 281.400 2.047 20 30 CEEDHN C=CCN1CCC(NC(=O)N(C)Cc2occc2C)CC1 ZINC000292163926 377228024 /nfs/dbraw/zinc/22/80/24/377228024.db2.gz DFPBTPZZNBJDDS-UHFFFAOYSA-N 0 3 291.395 2.380 20 30 CEEDHN CC1(C)CC[C@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000563723682 377284487 /nfs/dbraw/zinc/28/44/87/377284487.db2.gz IGWWEQCSSOJPLA-CYBMUJFWSA-N 0 3 257.337 2.275 20 30 CEEDHN CSC[C@@H]1CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000292794717 377286964 /nfs/dbraw/zinc/28/69/64/377286964.db2.gz MUBYQDOHKYCENG-GFCCVEGCSA-N 0 3 263.410 2.472 20 30 CEEDHN N#Cc1cccc(CNC(=O)CN2CCC[C@H]3CCC[C@H]32)c1 ZINC000331387140 377409219 /nfs/dbraw/zinc/40/92/19/377409219.db2.gz IFCINUFFOCBANE-IAGOWNOFSA-N 0 3 297.402 2.439 20 30 CEEDHN C=CC[C@@H](C(=O)NCCNc1ccncc1)c1ccccc1 ZINC000429019468 377505360 /nfs/dbraw/zinc/50/53/60/377505360.db2.gz JRLJHOJDCUYMIN-QGZVFWFLSA-N 0 3 295.386 2.392 20 30 CEEDHN C[S@@](=O)C1(CNCc2cc(C#N)cs2)CCC1 ZINC000332062592 377506997 /nfs/dbraw/zinc/50/69/97/377506997.db2.gz YRUYHEZWOXHTGP-QGZVFWFLSA-N 0 3 268.407 2.011 20 30 CEEDHN CCN(CCN1CCCCCC1)C(=O)c1c[nH]c(C#N)c1 ZINC000331549646 377471444 /nfs/dbraw/zinc/47/14/44/377471444.db2.gz RNZTVYJVBCMEEX-UHFFFAOYSA-N 0 3 288.395 2.224 20 30 CEEDHN Cc1cccc(OCCCNC(=O)C(C)C#N)c1C ZINC000428194918 377486250 /nfs/dbraw/zinc/48/62/50/377486250.db2.gz MONJMOMZQDOSTA-GFCCVEGCSA-N 0 3 260.337 2.348 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1csc(NC(C)=O)n1 ZINC000429710280 377518519 /nfs/dbraw/zinc/51/85/19/377518519.db2.gz VGHRMKITARXWAG-UHFFFAOYSA-N 0 3 296.440 2.041 20 30 CEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1cccc(F)c1 ZINC000429722368 377518842 /nfs/dbraw/zinc/51/88/42/377518842.db2.gz SKQKWNYJKPGXQB-UHFFFAOYSA-N 0 3 293.386 2.204 20 30 CEEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000429720342 377519209 /nfs/dbraw/zinc/51/92/09/377519209.db2.gz PUPWCKXWEWQAID-MRXNPFEDSA-N 0 3 295.471 2.073 20 30 CEEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccc(F)cc1 ZINC000429707442 377520026 /nfs/dbraw/zinc/52/00/26/377520026.db2.gz GWXQGSHLELNARD-UHFFFAOYSA-N 0 3 293.386 2.204 20 30 CEEDHN C[S@@](=O)c1ccc(CNCC2(CC#N)CC2)cc1 ZINC000430028710 377523872 /nfs/dbraw/zinc/52/38/72/377523872.db2.gz WAJGBMQISXYYGR-GOSISDBHSA-N 0 3 262.378 2.207 20 30 CEEDHN COc1cc(CNCC2(CC#N)CC2)cc(OC)c1OC ZINC000430020132 377523899 /nfs/dbraw/zinc/52/38/99/377523899.db2.gz GUKRLJPGYNFHNO-UHFFFAOYSA-N 0 3 290.363 2.496 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H]1CC[C@H](C)C1 ZINC000429591536 377516857 /nfs/dbraw/zinc/51/68/57/377516857.db2.gz OGHOBQXQSCMGIN-UONOGXRCSA-N 0 3 250.386 2.307 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H]1CC[C@@H](C)C1 ZINC000429574746 377516875 /nfs/dbraw/zinc/51/68/75/377516875.db2.gz BFLRYMPFVUSYJY-MCIONIFRSA-N 0 3 265.401 2.115 20 30 CEEDHN C[C@H]1CN(CCC(=O)Nc2ccccc2C#N)[C@H]1C ZINC000293399776 377550789 /nfs/dbraw/zinc/55/07/89/377550789.db2.gz LNRXCQLFTJRPHO-RYUDHWBXSA-N 0 3 257.337 2.227 20 30 CEEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC(=O)N3CCCC[C@H]13)CC2 ZINC000566885569 377778238 /nfs/dbraw/zinc/77/82/38/377778238.db2.gz XJHWHWKLHSXDOW-BRWVUGGUSA-N 0 3 295.386 2.289 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000293837630 377781347 /nfs/dbraw/zinc/78/13/47/377781347.db2.gz CHJNVQYODIJIFD-INIZCTEOSA-N 0 3 287.363 2.018 20 30 CEEDHN CN(C)[C@H](CC(=O)N(CCC#N)CCC#N)c1ccccc1 ZINC000433301746 377783756 /nfs/dbraw/zinc/78/37/56/377783756.db2.gz VYNPXXHAJLJMCP-MRXNPFEDSA-N 0 3 298.390 2.335 20 30 CEEDHN N#C[C@@]1(C(=O)NCCN2CCCCCC2)CC12CCCC2 ZINC000333071725 377752549 /nfs/dbraw/zinc/75/25/49/377752549.db2.gz CRUHDIYCEIUOQY-QGZVFWFLSA-N 0 3 289.423 2.453 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000333171101 377754650 /nfs/dbraw/zinc/75/46/50/377754650.db2.gz KIDKXUHQTQXVSE-RHSMWYFYSA-N 0 3 289.423 2.309 20 30 CEEDHN C[C@@H]1CCN(CC(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000567178041 377810037 /nfs/dbraw/zinc/81/00/37/377810037.db2.gz UYSJKPQFYAQZKP-ZBFHGGJFSA-N 0 3 285.391 2.489 20 30 CEEDHN CC[C@H](NCC(=O)NC(C)C)c1ccc(C#N)cc1 ZINC000278240299 193878383 /nfs/dbraw/zinc/87/83/83/193878383.db2.gz LEXNKFOPGDNDCZ-AWEZNQCLSA-N 0 3 259.353 2.124 20 30 CEEDHN C=CC[C@@H]1N(C[C@@H]2CCS(=O)(=O)C2)CCCC1(C)C ZINC000434506360 377796974 /nfs/dbraw/zinc/79/69/74/377796974.db2.gz CEUYHHHGFFVOEO-KBPBESRZSA-N 0 3 285.453 2.488 20 30 CEEDHN C=CC[C@@H]1N(C[C@H]2CCS(=O)(=O)C2)CCCC1(C)C ZINC000434506361 377798541 /nfs/dbraw/zinc/79/85/41/377798541.db2.gz CEUYHHHGFFVOEO-KGLIPLIRSA-N 0 3 285.453 2.488 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000437513674 377848201 /nfs/dbraw/zinc/84/82/01/377848201.db2.gz HPSWZLIYXLYPCL-NPJQDHAYSA-N 0 3 294.439 2.345 20 30 CEEDHN COc1cc(CN2CCC[C@@H](CO)CC2)ccc1C#N ZINC000294090752 377900984 /nfs/dbraw/zinc/90/09/84/377900984.db2.gz RKNJCWVTSOIQTE-CYBMUJFWSA-N 0 3 274.364 2.161 20 30 CEEDHN COC(=O)COc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442852169 378007625 /nfs/dbraw/zinc/00/76/25/378007625.db2.gz FTHIUIRAVNJZIB-JSGCOSHPSA-N 0 3 288.347 2.020 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)NCC1CCC(C#N)CC1 ZINC000442178724 377963217 /nfs/dbraw/zinc/96/32/17/377963217.db2.gz WSUBNQSDBSTRML-NRXISQOPSA-N 0 3 292.427 2.100 20 30 CEEDHN CN(C[C@@H]1CCCN(C)C1)c1ccc(Cl)c(C#N)n1 ZINC000265970665 190219620 /nfs/dbraw/zinc/21/96/20/190219620.db2.gz KVJMZQUSYUMSHD-LLVKDONJSA-N 0 3 278.787 2.385 20 30 CEEDHN CS(=O)(=O)Cc1ccccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442793310 377995517 /nfs/dbraw/zinc/99/55/17/377995517.db2.gz OGCIPZJOOIXJRO-DOMZBBRYSA-N 0 3 292.404 2.013 20 30 CEEDHN CN(C(=O)CN[C@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000442796707 377997598 /nfs/dbraw/zinc/99/75/98/377997598.db2.gz VYOSCPSJHFJUAQ-STQMWFEESA-N 0 3 263.385 2.059 20 30 CEEDHN C#CCN(C)CCCN[C@H]1CCc2c1c(F)ccc2F ZINC000295121388 378043530 /nfs/dbraw/zinc/04/35/30/378043530.db2.gz YRRJQVZYIZNIJR-HNNXBMFYSA-N 0 3 278.346 2.497 20 30 CEEDHN CC1(C)C[C@H](O)CCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000295197448 378047037 /nfs/dbraw/zinc/04/70/37/378047037.db2.gz BJBFWGFQPMZIEV-CVEARBPZSA-N 0 3 288.391 2.075 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1CC(=O)c1ccccc1 ZINC000443838124 378074260 /nfs/dbraw/zinc/07/42/60/378074260.db2.gz FGPKOTHTNOFNRC-OCCSQVGLSA-N 0 3 270.332 2.410 20 30 CEEDHN CC(C)(C)N(CCCCC(C)(C)C#N)CC(N)=O ZINC000444655048 378077724 /nfs/dbraw/zinc/07/77/24/378077724.db2.gz ZINKRKRCZKBBEJ-UHFFFAOYSA-N 0 3 253.390 2.292 20 30 CEEDHN CC(C)[C@H]1CCCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000444753147 378079652 /nfs/dbraw/zinc/07/96/52/378079652.db2.gz MCMXZZPEIUSBHI-KBPBESRZSA-N 0 3 265.401 2.115 20 30 CEEDHN CN(CC#Cc1ccccc1Cl)CC1(O)CCOCC1 ZINC000444750396 378080592 /nfs/dbraw/zinc/08/05/92/378080592.db2.gz CNKLAOCHCGSNFR-UHFFFAOYSA-N 0 3 293.794 2.165 20 30 CEEDHN CC1(C)C[C@H](O)CCN(CCOc2ccc(C#N)cc2)C1 ZINC000295429820 378153858 /nfs/dbraw/zinc/15/38/58/378153858.db2.gz JFSLPPQQDXCVOG-OAHLLOKOSA-N 0 3 288.391 2.420 20 30 CEEDHN N#CCC[C@H](C#N)CN[C@@H](CCO)C1CCCCC1 ZINC000574691642 335040111 /nfs/dbraw/zinc/04/01/11/335040111.db2.gz KIAFIAAZHVZEDI-HIFRSBDPSA-N 0 3 263.385 2.351 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@]1(C#N)C[C@@H]1C)C(C)C ZINC000448977563 378195537 /nfs/dbraw/zinc/19/55/37/378195537.db2.gz YUIUIXRHCKDFIJ-ZMSDIMECSA-N 0 3 289.423 2.351 20 30 CEEDHN COCCN1CCC(Nc2cccc(CC#N)c2)CC1 ZINC000449704670 378221499 /nfs/dbraw/zinc/22/14/99/378221499.db2.gz WGOXJNGCUSKKKT-UHFFFAOYSA-N 0 3 273.380 2.275 20 30 CEEDHN C[C@H]1C[C@]1(C#N)C(=O)NCCCN1CCc2ccccc2C1 ZINC000448674255 378179301 /nfs/dbraw/zinc/17/93/01/378179301.db2.gz FJCAMUUJZVBFCD-KBXCAEBGSA-N 0 3 297.402 2.101 20 30 CEEDHN C[C@@H]1[C@@H](Nc2nccc(C#N)n2)CCN1Cc1ccccc1 ZINC000295747004 378286695 /nfs/dbraw/zinc/28/66/95/378286695.db2.gz ZDYBSKTZZVTRQR-CJNGLKHVSA-N 0 3 293.374 2.423 20 30 CEEDHN C=CCc1cc(CN2C[C@H](C)C[C@@H](O)C2)cc(OC)c1O ZINC000449764907 378227799 /nfs/dbraw/zinc/22/77/99/378227799.db2.gz FGYOTFJDSILLQJ-IUODEOHRSA-N 0 3 291.391 2.332 20 30 CEEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1ccccc1 ZINC000296121433 378424468 /nfs/dbraw/zinc/42/44/68/378424468.db2.gz HNNQHPXKLCQCAV-AWEZNQCLSA-N 0 3 273.380 2.002 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000296324796 378491241 /nfs/dbraw/zinc/49/12/41/378491241.db2.gz QKRSPMAMSRJMSC-FVQBIDKESA-N 0 3 286.375 2.470 20 30 CEEDHN N#Cc1ccnc(N[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000296521289 378561136 /nfs/dbraw/zinc/56/11/36/378561136.db2.gz MTEXBLUQWDTNDR-HNNXBMFYSA-N 0 3 279.347 2.035 20 30 CEEDHN C#CCOc1ccc(CN[C@@H](C)C(C)(C)n2cncn2)cc1 ZINC000296557008 378574410 /nfs/dbraw/zinc/57/44/10/378574410.db2.gz RXOYKCDNDGCYFC-AWEZNQCLSA-N 0 3 298.390 2.204 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000296918206 378657376 /nfs/dbraw/zinc/65/73/76/378657376.db2.gz ODHYPBHRAPWTOX-QGZVFWFLSA-N 0 3 299.418 2.141 20 30 CEEDHN COC1([C@@H](C)NCc2cc(C#N)ccc2F)CCOCC1 ZINC000453154224 378819904 /nfs/dbraw/zinc/81/99/04/378819904.db2.gz RHCBWYWTFDBNSP-GFCCVEGCSA-N 0 3 292.354 2.371 20 30 CEEDHN C#CCN(CC)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000299163132 378922713 /nfs/dbraw/zinc/92/27/13/378922713.db2.gz GLPQDEZPYMFDLI-KRWDZBQOSA-N 0 3 299.418 2.316 20 30 CEEDHN CN(CC(=O)NCc1ccc(C#N)cc1)CC1CCCC1 ZINC000299413066 378988144 /nfs/dbraw/zinc/98/81/44/378988144.db2.gz RXXHGUBINXJEJH-UHFFFAOYSA-N 0 3 285.391 2.296 20 30 CEEDHN N#CC1(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)CCCC1 ZINC000514611395 379131829 /nfs/dbraw/zinc/13/18/29/379131829.db2.gz LHZCMGZJHGSKIL-MRXNPFEDSA-N 0 3 297.402 2.461 20 30 CEEDHN C[C@@H]1C[C@H](N[C@@H]2CC[C@@H](C#N)C2)C(=O)N1c1ccccc1 ZINC000514677639 379136911 /nfs/dbraw/zinc/13/69/11/379136911.db2.gz XRMVHFHIQVJKGN-KQTLUZQSSA-N 0 3 283.375 2.462 20 30 CEEDHN CCC(CC)[C@H](O)CNCc1cnc2ccc(C#N)cn12 ZINC000304233796 379534206 /nfs/dbraw/zinc/53/42/06/379534206.db2.gz JKKVXKSORAJURW-OAHLLOKOSA-N 0 3 286.379 2.093 20 30 CEEDHN C[C@@H](CNc1cnc(C#N)cn1)N1CCCC[C@H]1C ZINC000355331438 220267148 /nfs/dbraw/zinc/26/71/48/220267148.db2.gz FOKWXNABHHESBP-NEPJUHHUSA-N 0 3 259.357 2.023 20 30 CEEDHN C#CCOc1ccc(CNCc2ccn(C)c2)cc1 ZINC000267114400 190304553 /nfs/dbraw/zinc/30/45/53/190304553.db2.gz RVUXNSJUNQXXBH-UHFFFAOYSA-N 0 3 254.333 2.327 20 30 CEEDHN N#Cc1ccc([C@@H](O)CN2CCC(n3cccn3)CC2)cc1 ZINC000305054789 379612533 /nfs/dbraw/zinc/61/25/33/379612533.db2.gz BVTDDNYLZCNIRB-KRWDZBQOSA-N 0 3 296.374 2.125 20 30 CEEDHN C=CCC[C@H](O)CN1CCCN(c2nc(C)cs2)CC1 ZINC000305066415 379618696 /nfs/dbraw/zinc/61/86/96/379618696.db2.gz IAGJLRGMPWQWPP-AWEZNQCLSA-N 0 3 295.452 2.291 20 30 CEEDHN N#CC1(NC(=O)CN2CCC3(C2)CCCCC3)CCC1 ZINC000525893536 379676579 /nfs/dbraw/zinc/67/65/79/379676579.db2.gz XLOUZASYGBIETC-UHFFFAOYSA-N 0 3 275.396 2.205 20 30 CEEDHN CC(C)(CNCc1ccc(C#N)s1)C(=O)N1CCCC1 ZINC000527810404 379821378 /nfs/dbraw/zinc/82/13/78/379821378.db2.gz GMFRJAKJIVPUKA-UHFFFAOYSA-N 0 3 291.420 2.358 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(CCOC)CC1 ZINC000528574717 380021922 /nfs/dbraw/zinc/02/19/22/380021922.db2.gz SQLVAWZBSPRRPL-HNNXBMFYSA-N 0 3 294.439 2.324 20 30 CEEDHN C=C(C)CN1CCC(Cc2nc(CCOC)no2)CC1 ZINC000528617310 380032295 /nfs/dbraw/zinc/03/22/95/380032295.db2.gz DKWWOUSDNGVDKF-UHFFFAOYSA-N 0 3 279.384 2.089 20 30 CEEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C)[C@@H](C(C)C)C1 ZINC000488042720 380091151 /nfs/dbraw/zinc/09/11/51/380091151.db2.gz OYEIOSRJWPLOFJ-HZPDHXFCSA-N 0 3 295.471 2.072 20 30 CEEDHN C[C@@H]1CN(CCCCNc2ccc(C#N)cn2)C[C@@H](C)O1 ZINC000267954319 190365104 /nfs/dbraw/zinc/36/51/04/190365104.db2.gz QZUIOCAPGCRQKO-ZIAGYGMSSA-N 0 3 288.395 2.255 20 30 CEEDHN CCO[C@@H]1C[C@@H](NC(=O)C(C)C#N)C1(CC)CC ZINC000488131096 380093002 /nfs/dbraw/zinc/09/30/02/380093002.db2.gz UBBCWKYFWJJVRR-IJLUTSLNSA-N 0 3 252.358 2.246 20 30 CEEDHN CC(C)(CCC#N)CN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000529672052 380183445 /nfs/dbraw/zinc/18/34/45/380183445.db2.gz AUAMVJQDUQYVOE-VBHSOAQHSA-N 0 3 268.426 2.302 20 30 CEEDHN C=CCC(CC=C)C(=O)NCCN1CC[C@H](C)C1 ZINC000532325893 380213539 /nfs/dbraw/zinc/21/35/39/380213539.db2.gz PLDADADHJSXWIW-ZDUSSCGKSA-N 0 3 250.386 2.213 20 30 CEEDHN CC(C#N)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000334343545 380276754 /nfs/dbraw/zinc/27/67/54/380276754.db2.gz RDIZYTHEPXKURH-GWCFXTLKSA-N 0 3 278.739 2.400 20 30 CEEDHN C#C[C@@H](C)N(C)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000491165368 380284202 /nfs/dbraw/zinc/28/42/02/380284202.db2.gz KOJQYEJFASCGCX-AEFFLSMTSA-N 0 3 286.419 2.231 20 30 CEEDHN CCCN(CCN(C)C)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000491913396 380383130 /nfs/dbraw/zinc/38/31/30/380383130.db2.gz IRZWSKQCEKLLSE-KTKRTIGZSA-N 0 3 285.391 2.372 20 30 CEEDHN C=CCN(CC=C)C(=O)CCN(C)c1ccncc1 ZINC000543715653 380338702 /nfs/dbraw/zinc/33/87/02/380338702.db2.gz XAJPWZMLQJCTID-UHFFFAOYSA-N 0 3 259.353 2.109 20 30 CEEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cscc2C#N)C1 ZINC000334557379 380587757 /nfs/dbraw/zinc/58/77/57/380587757.db2.gz DKDZSSWZDYROSJ-RISCZKNCSA-N 0 3 289.404 2.176 20 30 CEEDHN C=CC(C)(C)C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000334566612 380606834 /nfs/dbraw/zinc/60/68/34/380606834.db2.gz SLMDIEDTJALHGX-STQMWFEESA-N 0 3 250.386 2.141 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC2(C)C)CC1 ZINC000494914539 381163499 /nfs/dbraw/zinc/16/34/99/381163499.db2.gz IRSALYNUHFGWMV-CQSZACIVSA-N 0 3 279.428 2.467 20 30 CEEDHN CCCCNC(=O)OC[C@H]1CCCCN1C(=O)C(C)C#N ZINC000495764287 381183511 /nfs/dbraw/zinc/18/35/11/381183511.db2.gz PTMFWPKGNMDERY-QWHCGFSZSA-N 0 3 295.383 2.053 20 30 CEEDHN C[C@@H](NCC1(C#N)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495815702 381189060 /nfs/dbraw/zinc/18/90/60/381189060.db2.gz BYGHCIPVLXHTEP-LLVKDONJSA-N 0 3 279.384 2.135 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](C)C(C)(C)C1 ZINC000354001565 285039424 /nfs/dbraw/zinc/03/94/24/285039424.db2.gz IOLFCSYUHSXFEA-KGLIPLIRSA-N 0 3 279.428 2.363 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N(C)C[C@H]1CCCN1C ZINC000335241558 208008439 /nfs/dbraw/zinc/00/84/39/208008439.db2.gz PYKCSEAPQKOADK-CQSZACIVSA-N 0 3 286.379 2.425 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1CC(=O)c1ccco1 ZINC000344342083 533110688 /nfs/dbraw/zinc/11/06/88/533110688.db2.gz WHAUHNRIKILCSF-QWRGUYRKSA-N 0 3 260.293 2.003 20 30 CEEDHN CC(C#N)C(=O)N1CCN(c2cccc(F)c2)C[C@H]1C ZINC000336576819 533111696 /nfs/dbraw/zinc/11/16/96/533111696.db2.gz QMPKGESHQIMEHH-NWDGAFQWSA-N 0 3 275.327 2.022 20 30 CEEDHN COC(=O)[C@@]1(C)CCCN(Cc2cccc(C#N)c2)C1 ZINC000412108771 533118288 /nfs/dbraw/zinc/11/82/88/533118288.db2.gz SQAFDMXWDHZCFM-INIZCTEOSA-N 0 3 272.348 2.333 20 30 CEEDHN CCC[C@]1(CO)CCN(CCOc2ccccc2C#N)C1 ZINC000288923422 197192856 /nfs/dbraw/zinc/19/28/56/197192856.db2.gz VGENCTTURVHKJF-KRWDZBQOSA-N 0 3 288.391 2.422 20 30 CEEDHN COc1ccc([C@H](C)NC(=O)C(C)C#N)cc1F ZINC000347048533 533163393 /nfs/dbraw/zinc/16/33/93/533163393.db2.gz MGVQXOXAPJXCCQ-IUCAKERBSA-N 0 3 250.273 2.171 20 30 CEEDHN C[C@@H](CNc1nc2cc(Cl)ccn2c1C#N)N(C)C ZINC000288241403 197034007 /nfs/dbraw/zinc/03/40/07/197034007.db2.gz DRJNNSHSHAAATP-VIFPVBQESA-N 0 3 277.759 2.221 20 30 CEEDHN CO[C@@H]1CCN(CCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000281650547 195323003 /nfs/dbraw/zinc/32/30/03/195323003.db2.gz JUHFOFBDFOETLH-DZGCQCFKSA-N 0 3 274.364 2.436 20 30 CEEDHN COc1cc(CNCc2cccn2C)ccc1C#N ZINC000281692922 195339452 /nfs/dbraw/zinc/33/94/52/195339452.db2.gz NEXWKSJWFITWST-UHFFFAOYSA-N 0 3 255.321 2.195 20 30 CEEDHN CN1CCN(CCNc2cccc(F)c2C#N)CC1(C)C ZINC000281710748 195346699 /nfs/dbraw/zinc/34/66/99/195346699.db2.gz UOCRUESAGMUBJC-UHFFFAOYSA-N 0 3 290.386 2.135 20 30 CEEDHN COc1cc(CNCC2([C@@H](O)C(C)C)CC2)ccc1C#N ZINC000281641960 195318574 /nfs/dbraw/zinc/31/85/74/195318574.db2.gz IYDRCGCEHMAPFY-INIZCTEOSA-N 0 3 288.391 2.454 20 30 CEEDHN COC(=O)CCC(C)(C)NCc1ccc(C#N)cc1 ZINC000357755240 533344003 /nfs/dbraw/zinc/34/40/03/533344003.db2.gz OILKSZAHVMDEJB-UHFFFAOYSA-N 0 3 260.337 2.380 20 30 CEEDHN COc1ccc(CNC(=O)C(C)C#N)c(C(F)(F)F)c1 ZINC000347127005 533638388 /nfs/dbraw/zinc/63/83/88/533638388.db2.gz DPVBTZLUPHTWPT-QMMMGPOBSA-N 0 3 286.253 2.490 20 30 CEEDHN C[C@H](NCCOCC(F)F)c1ccc(C#N)cc1 ZINC000189832378 130028466 /nfs/dbraw/zinc/02/84/66/130028466.db2.gz XLPLBXJRUKKSOP-JTQLQIEISA-N 0 3 254.280 2.491 20 30 CEEDHN Cc1ccccc1OCCNCc1cc(C#N)n(C)c1 ZINC000190840874 130153529 /nfs/dbraw/zinc/15/35/29/130153529.db2.gz QQFAOKWHYVBBNW-UHFFFAOYSA-N 0 3 269.348 2.374 20 30 CEEDHN C=CCOc1ccc(CNC[C@H](C)OC)cc1OC ZINC000191152020 130190779 /nfs/dbraw/zinc/19/07/79/130190779.db2.gz OCCCZUGICWGAOO-LBPRGKRZSA-N 0 3 265.353 2.385 20 30 CEEDHN C[C@@H]1CC(O)C[C@@H](C)N1CCOc1ccccc1C#N ZINC000191288007 130215618 /nfs/dbraw/zinc/21/56/18/130215618.db2.gz ZNMMIMKWWXCROX-CHWSQXEVSA-N 0 3 274.364 2.171 20 30 CEEDHN Cn1cc(CN2CCC([C@H]3CCCO3)CC2)cc1C#N ZINC000191540516 130251719 /nfs/dbraw/zinc/25/17/19/130251719.db2.gz SPBIXRSJEBGEMA-MRXNPFEDSA-N 0 3 273.380 2.288 20 30 CEEDHN C=CCN1CCC(Nc2nc(N)c3ccccc3n2)CC1 ZINC000301801560 394465919 /nfs/dbraw/zinc/46/59/19/394465919.db2.gz CLEVINWWAAISSD-UHFFFAOYSA-N 0 3 283.379 2.274 20 30 CEEDHN C[C@@H](O)[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000305184932 394498604 /nfs/dbraw/zinc/49/86/04/394498604.db2.gz PBZGLAUBZNZFNE-HIFRSBDPSA-N 0 3 274.364 2.030 20 30 CEEDHN C=CCCC1(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000356199786 394559952 /nfs/dbraw/zinc/55/99/52/394559952.db2.gz ORHYLZQLMGFECO-OLZOCXBDSA-N 0 3 250.386 2.332 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CCCOC1 ZINC000329511522 394568843 /nfs/dbraw/zinc/56/88/43/394568843.db2.gz NDRRMBUEIVYKTC-RBSFLKMASA-N 0 3 297.443 2.180 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)C(C1CC1)C1CC1 ZINC000065243191 394574086 /nfs/dbraw/zinc/57/40/86/394574086.db2.gz AQCBQJWMXDSVLO-LBPRGKRZSA-N 0 3 277.412 2.115 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421715591 394575757 /nfs/dbraw/zinc/57/57/57/394575757.db2.gz YITACQQCSLGFHT-AWEZNQCLSA-N 0 3 271.364 2.033 20 30 CEEDHN [O-]C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)=[NH+]CCn1ccnc1 ZINC000329597200 394575741 /nfs/dbraw/zinc/57/57/41/394575741.db2.gz CLFFPJOXMIARQQ-BFHYXJOUSA-N 0 3 276.384 2.356 20 30 CEEDHN CCc1nc(C(=O)NC2CCN(C3CC3)CC2)co1 ZINC000329619583 394577643 /nfs/dbraw/zinc/57/76/43/394577643.db2.gz TZKFJBMGOJPHCD-UHFFFAOYSA-N 0 3 263.341 2.168 20 30 CEEDHN [O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+][C@H]1C=CCCC1 ZINC000329923758 394595129 /nfs/dbraw/zinc/59/51/29/394595129.db2.gz UPHZYVQWMWPPDN-STQMWFEESA-N 0 3 274.368 2.058 20 30 CEEDHN CCN1CCC[C@@H]1CNC(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000329764747 394583622 /nfs/dbraw/zinc/58/36/22/394583622.db2.gz WBZBJMNYWBGRQQ-RBSFLKMASA-N 0 3 297.443 2.180 20 30 CEEDHN CCN(CCC#N)C(=O)CN1C[C@H](C)C[C@H](C)[C@H]1C ZINC000355788327 394531764 /nfs/dbraw/zinc/53/17/64/394531764.db2.gz WHMBYGVDXDHZAS-HZSPNIEDSA-N 0 3 265.401 2.115 20 30 CEEDHN CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000328919550 394556811 /nfs/dbraw/zinc/55/68/11/394556811.db2.gz LMQGDRRJMZUSNI-MGPQQGTHSA-N 0 3 297.443 2.178 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)NCc2ccc(OC)cc2)C1 ZINC000330474299 394613703 /nfs/dbraw/zinc/61/37/03/394613703.db2.gz HISNKWUXRBIIGK-CQSZACIVSA-N 0 3 291.395 2.183 20 30 CEEDHN COc1cnc(NC(=O)NCCN2CCCC[C@H]2C)s1 ZINC000330487253 394614691 /nfs/dbraw/zinc/61/46/91/394614691.db2.gz GRORAFGFTLKUDF-SNVBAGLBSA-N 0 3 298.412 2.352 20 30 CEEDHN CN1CCC2(CCCN2C(=O)c2ccc(CC#N)cc2)CC1 ZINC000334244800 394668009 /nfs/dbraw/zinc/66/80/09/394668009.db2.gz CLKWVHOVVWDALH-UHFFFAOYSA-N 0 3 297.402 2.453 20 30 CEEDHN CC[C@H](C(=O)NCc1ccc(C#N)cc1)N(CC)CC ZINC000265581863 394650608 /nfs/dbraw/zinc/65/06/08/394650608.db2.gz JFLOAVPJRNPPNM-OAHLLOKOSA-N 0 3 273.380 2.295 20 30 CEEDHN C#CCN(CC)Cc1ccc(N(C)CCC#N)cc1 ZINC000271146861 394748907 /nfs/dbraw/zinc/74/89/07/394748907.db2.gz RXYVDZXTEOWULU-UHFFFAOYSA-N 0 3 255.365 2.492 20 30 CEEDHN Cc1ccc(C#N)c(NC[C@]2(N(C)C)CCSC2)n1 ZINC000270940748 394742573 /nfs/dbraw/zinc/74/25/73/394742573.db2.gz JUIDPHYCKJBXEF-CQSZACIVSA-N 0 3 276.409 2.111 20 30 CEEDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1cn2ccccc2c1C#N ZINC000357013115 394682264 /nfs/dbraw/zinc/68/22/64/394682264.db2.gz ZUMIDSQDDCPZGE-UONOGXRCSA-N 0 3 282.391 2.335 20 30 CEEDHN COCC[C@@H](C)N1CCN(c2ccccc2C#N)CC1 ZINC000268016133 394687498 /nfs/dbraw/zinc/68/74/98/394687498.db2.gz UAQSOGPGVMSALC-CQSZACIVSA-N 0 3 273.380 2.105 20 30 CEEDHN COc1cccc(CNC(=[NH2+])NC2CCCCC2)c1[O-] ZINC000104193442 394719553 /nfs/dbraw/zinc/71/95/53/394719553.db2.gz JRSGTOBUEKOJKY-UHFFFAOYSA-N 0 3 277.368 2.138 20 30 CEEDHN CN(C)Cc1ccc(C(N)=NOCC2CCC2)cc1 ZINC000269873915 394724212 /nfs/dbraw/zinc/72/42/12/394724212.db2.gz OGKJGEWNUKYCCP-UHFFFAOYSA-N 0 3 261.369 2.185 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(OC)cc2C)CC1 ZINC000359421183 394753009 /nfs/dbraw/zinc/75/30/09/394753009.db2.gz XXJJFTOJZXTVQK-UHFFFAOYSA-N 0 3 288.391 2.384 20 30 CEEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359569507 394762670 /nfs/dbraw/zinc/76/26/70/394762670.db2.gz YWGXAKHXZMOGFV-IIAWOOMASA-N 0 3 277.412 2.259 20 30 CEEDHN C=CCOc1cccc(CNC[C@@]2(OC)CCOC2)c1 ZINC000359656995 394769328 /nfs/dbraw/zinc/76/93/28/394769328.db2.gz YTVKPAFFDWCMEZ-INIZCTEOSA-N 0 3 277.364 2.147 20 30 CEEDHN CCN1CCCN(c2ncc(Cl)c(C)c2C#N)CC1 ZINC000273388362 394787292 /nfs/dbraw/zinc/78/72/92/394787292.db2.gz UORQCMZBUOFPHY-UHFFFAOYSA-N 0 3 278.787 2.447 20 30 CEEDHN Cc1c(Cl)cnc(N2CC[C@@H]3CCN(C)C[C@@H]32)c1C#N ZINC000273393023 394787496 /nfs/dbraw/zinc/78/74/96/394787496.db2.gz VEJYZSJFBZPOQD-FZMZJTMJSA-N 0 3 290.798 2.446 20 30 CEEDHN COc1cc(CCNC(=O)C(C)C#N)ccc1Cl ZINC000360841920 394808303 /nfs/dbraw/zinc/80/83/03/394808303.db2.gz KKIWDMQQHXSYRL-SECBINFHSA-N 0 3 266.728 2.167 20 30 CEEDHN N#CCSCCCN[C@H](CO)c1ccsc1 ZINC000336698436 394871074 /nfs/dbraw/zinc/87/10/74/394871074.db2.gz MUQOCNVGJPKGCI-LLVKDONJSA-N 0 3 256.396 2.018 20 30 CEEDHN C=CCN1CCC([C@H]2CCCCCN2C(=O)COC)CC1 ZINC000363630544 394882852 /nfs/dbraw/zinc/88/28/52/394882852.db2.gz VENIQLVNXXMBNG-MRXNPFEDSA-N 0 3 294.439 2.302 20 30 CEEDHN C=C(C)CN1CCC(Nc2cccc(-n3ccnc3)n2)CC1 ZINC000363722042 394884326 /nfs/dbraw/zinc/88/43/26/394884326.db2.gz MQIFOIOPABPPNK-UHFFFAOYSA-N 0 3 297.406 2.142 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000338077116 394904118 /nfs/dbraw/zinc/90/41/18/394904118.db2.gz BRKQYWQUYFEHDC-IPYPFGDCSA-N 0 3 272.348 2.430 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000338672472 394925770 /nfs/dbraw/zinc/92/57/70/394925770.db2.gz DBPJIMBCBKYOCL-CABCVRRESA-N 0 3 280.412 2.054 20 30 CEEDHN C=CCOCCN1CCN(Cc2cccc(C)c2)CC1 ZINC000338884700 394932486 /nfs/dbraw/zinc/93/24/86/394932486.db2.gz ZUFLTYPQAOBMEX-UHFFFAOYSA-N 0 3 274.408 2.315 20 30 CEEDHN N#CCCOCCN1CCS[C@@H]2CCCC[C@@H]21 ZINC000339014560 394936463 /nfs/dbraw/zinc/93/64/63/394936463.db2.gz CSIYRAATCJTBKT-QWHCGFSZSA-N 0 3 254.399 2.277 20 30 CEEDHN CN(CCC(=O)OC(C)(C)C)[C@H]1CC[C@H](C#N)C1 ZINC000339017663 394937647 /nfs/dbraw/zinc/93/76/47/394937647.db2.gz MZKQICLHUDPADF-RYUDHWBXSA-N 0 3 252.358 2.342 20 30 CEEDHN C=CCOCCN[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000339073933 394940447 /nfs/dbraw/zinc/94/04/47/394940447.db2.gz AYARMWQOUKALIK-CYBMUJFWSA-N 0 3 272.352 2.121 20 30 CEEDHN C[C@@H]1C[C@@H](c2cccnc2)N(CCOCCC#N)C1 ZINC000339088150 394941854 /nfs/dbraw/zinc/94/18/54/394941854.db2.gz BDXKHNNLNCSQEX-HIFRSBDPSA-N 0 3 259.353 2.395 20 30 CEEDHN C#CCN(CC)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000284308194 394943345 /nfs/dbraw/zinc/94/33/45/394943345.db2.gz ZRUQWCUDGXKBEO-GOSISDBHSA-N 0 3 286.419 2.233 20 30 CEEDHN C=CCN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000366438629 394945583 /nfs/dbraw/zinc/94/55/83/394945583.db2.gz LQSMVBOKIIZFDG-NWDGAFQWSA-N 0 3 252.358 2.114 20 30 CEEDHN CC#CCN1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366532891 394947852 /nfs/dbraw/zinc/94/78/52/394947852.db2.gz FVFIZJJAXIXKNY-UONOGXRCSA-N 0 3 278.396 2.341 20 30 CEEDHN CC[C@H]1CN(CCCCC#N)C[C@@]2(CCCOC2)O1 ZINC000366566472 394949273 /nfs/dbraw/zinc/94/92/73/394949273.db2.gz AELVHWZKCQQCPP-LSDHHAIUSA-N 0 3 266.385 2.340 20 30 CEEDHN CC#CCN(C)C[C@H]1CCCN(CC)[C@@H]1c1cnn(C)c1 ZINC000339201054 394950697 /nfs/dbraw/zinc/95/06/97/394950697.db2.gz IDNRFNBJAJZDEK-WBVHZDCISA-N 0 3 288.439 2.148 20 30 CEEDHN C=CCC[C@@H](NCC(C)(C)C(N)=O)c1ccco1 ZINC000286193679 395016444 /nfs/dbraw/zinc/01/64/44/395016444.db2.gz QYWPKXMEDCUIFR-LLVKDONJSA-N 0 3 250.342 2.388 20 30 CEEDHN C[C@@H](C#N)CN(C)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416127903 395018413 /nfs/dbraw/zinc/01/84/13/395018413.db2.gz DOYAVOYNSIIGDD-ZFWWWQNUSA-N 0 3 273.380 2.297 20 30 CEEDHN C[C@H]1C[C@H](N2CCCC2)CN1c1cnccc1C#N ZINC000286288502 395018706 /nfs/dbraw/zinc/01/87/06/395018706.db2.gz IPLFEGYTIZDXNV-JSGCOSHPSA-N 0 3 256.353 2.016 20 30 CEEDHN CN(C)[C@H](CC(=O)N(CC#N)C1CC1)c1ccccc1 ZINC000416127272 395018648 /nfs/dbraw/zinc/01/86/48/395018648.db2.gz CVZVFMNIEBXNSJ-OAHLLOKOSA-N 0 3 271.364 2.194 20 30 CEEDHN N#CCCCCNC(=O)CCN1CCc2ccccc2C1 ZINC000416147192 395022225 /nfs/dbraw/zinc/02/22/25/395022225.db2.gz AGZXCPXDCXWJMK-UHFFFAOYSA-N 0 3 285.391 2.245 20 30 CEEDHN COc1ccc(C[C@H](C)CNC(=O)C(C)C#N)cc1OC ZINC000343046840 395030182 /nfs/dbraw/zinc/03/01/82/395030182.db2.gz KLVFINKYFQPTFT-NWDGAFQWSA-N 0 3 290.363 2.158 20 30 CEEDHN CCCC[C@@H](C)N(CCCC)CC(=O)NCC#N ZINC000339647211 394966609 /nfs/dbraw/zinc/96/66/09/394966609.db2.gz LDEOBEZGSKPCFH-CYBMUJFWSA-N 0 3 253.390 2.307 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](CC2CC2)C1 ZINC000339683582 394967425 /nfs/dbraw/zinc/96/74/25/394967425.db2.gz NQYRZJZRYSXXOD-DZGCQCFKSA-N 0 3 277.412 2.117 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000346426180 395099695 /nfs/dbraw/zinc/09/96/95/395099695.db2.gz YGSIBYYJSCBUIG-GJZGRUSLSA-N 0 3 282.428 2.204 20 30 CEEDHN C=C(C)CN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000372804841 395047456 /nfs/dbraw/zinc/04/74/56/395047456.db2.gz GESGRUOOPVCDOP-UKRRQHHQSA-N 0 3 262.328 2.263 20 30 CEEDHN N#CCSCCCN1CCOCC2(CCC2)C1 ZINC000373379843 395060392 /nfs/dbraw/zinc/06/03/92/395060392.db2.gz WGGZUSLQMNZTJO-UHFFFAOYSA-N 0 3 254.399 2.136 20 30 CEEDHN C#CCCN1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000288918889 395067101 /nfs/dbraw/zinc/06/71/01/395067101.db2.gz UWJVVWDSZXXITQ-MRXNPFEDSA-N 0 3 261.340 2.076 20 30 CEEDHN N#Cc1cc2c(nc1N1CCCN(C3CC3)CC1)CCC2 ZINC000374003247 395070298 /nfs/dbraw/zinc/07/02/98/395070298.db2.gz ZJJRCGBZJLEMKK-UHFFFAOYSA-N 0 3 282.391 2.116 20 30 CEEDHN Cc1nc([C@H]2CCCN(CCCSCC#N)C2)no1 ZINC000374097661 395073325 /nfs/dbraw/zinc/07/33/25/395073325.db2.gz STBMFNREQGYPTG-LBPRGKRZSA-N 0 3 280.397 2.204 20 30 CEEDHN CC(C#N)C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000345755698 395075113 /nfs/dbraw/zinc/07/51/13/395075113.db2.gz GCZJOCXYEWEZDV-MRVPVSSYSA-N 0 3 251.355 2.216 20 30 CEEDHN CC[C@@H](NC(=O)C(C)C#N)c1ccc2c(c1)OCCO2 ZINC000345767178 395076592 /nfs/dbraw/zinc/07/65/92/395076592.db2.gz QHFKIQUHKSJWPT-CMPLNLGQSA-N 0 3 274.320 2.185 20 30 CEEDHN CC[C@@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000345788012 395077478 /nfs/dbraw/zinc/07/74/78/395077478.db2.gz OYTWHTFMTMKWKM-QWHCGFSZSA-N 0 3 263.385 2.059 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(Br)cc1 ZINC000289452615 395077712 /nfs/dbraw/zinc/07/77/12/395077712.db2.gz BTZRKWNCDKMJGF-LLVKDONJSA-N 0 3 256.143 2.086 20 30 CEEDHN C[Si](C)(C)CN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000374378281 395081905 /nfs/dbraw/zinc/08/19/05/395081905.db2.gz BCRIIYGQNMQGLJ-MLGOLLRUSA-N 0 3 299.450 2.209 20 30 CEEDHN C=C[C@H](CO)N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000289784857 395086361 /nfs/dbraw/zinc/08/63/61/395086361.db2.gz MWUKOTJXHMLXJR-TZMCWYRMSA-N 0 3 257.337 2.070 20 30 CEEDHN C#Cc1ccc(CN2CC[C@@H](C(=O)OC)[C@@H](C)C2)cc1 ZINC000289819273 395088019 /nfs/dbraw/zinc/08/80/19/395088019.db2.gz TZLABDSVLGTMGO-XJKSGUPXSA-N 0 3 271.360 2.299 20 30 CEEDHN CC(C#N)C(=O)N(Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000346123441 395088196 /nfs/dbraw/zinc/08/81/96/395088196.db2.gz SRWANOMWSMZRPN-JHJVBQTASA-N 0 3 290.388 2.173 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(CC)[C@H]1CCOC(C)(C)C1 ZINC000289839193 395089119 /nfs/dbraw/zinc/08/91/19/395089119.db2.gz PAEFQTFKDQDUGA-HNNXBMFYSA-N 0 3 294.439 2.467 20 30 CEEDHN C=C[C@@H](CO)NCc1ccc(OC(F)(F)F)cc1 ZINC000289919586 395090929 /nfs/dbraw/zinc/09/09/29/395090929.db2.gz SGPVLDRZKRDRHN-JTQLQIEISA-N 0 3 261.243 2.222 20 30 CEEDHN C#Cc1ccccc1CC(=O)NCCN1CCC[C@H](C)C1 ZINC000290075374 395093347 /nfs/dbraw/zinc/09/33/47/395093347.db2.gz YOGRLJCRWHECDX-HNNXBMFYSA-N 0 3 284.403 2.059 20 30 CEEDHN C=C(C)CN(C)C(=O)CCN1CCc2ccccc2C1 ZINC000416198316 395030851 /nfs/dbraw/zinc/03/08/51/395030851.db2.gz ZCHQOFZUDFHWPC-UHFFFAOYSA-N 0 3 272.392 2.469 20 30 CEEDHN CN(C)[C@@H](CC(=O)NCCCC#N)c1ccccc1 ZINC000416206587 395031249 /nfs/dbraw/zinc/03/12/49/395031249.db2.gz UUSFDWGWEBDOJA-AWEZNQCLSA-N 0 3 259.353 2.099 20 30 CEEDHN CN(C)[C@H](CC(=O)NCCCC#N)c1ccccc1 ZINC000416206590 395031570 /nfs/dbraw/zinc/03/15/70/395031570.db2.gz UUSFDWGWEBDOJA-CQSZACIVSA-N 0 3 259.353 2.099 20 30 CEEDHN C#CCN(Cc1ccccc1)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000287231672 395036491 /nfs/dbraw/zinc/03/64/91/395036491.db2.gz BIPAZJIIQYBNEA-OAHLLOKOSA-N 0 3 299.418 2.314 20 30 CEEDHN C#CCN(CC)C[C@H](O)Cc1cccc(Cl)c1 ZINC000287657777 395044959 /nfs/dbraw/zinc/04/49/59/395044959.db2.gz GYNYVZXOSIHFIA-CQSZACIVSA-N 0 3 251.757 2.199 20 30 CEEDHN C#C[C@H](NC(=O)C1C[C@@H](c2ccccc2)OC1=O)C(C)(C)C ZINC000290833474 395117945 /nfs/dbraw/zinc/11/79/45/395117945.db2.gz HTWYAGJSENCDOD-ILXRZTDVSA-N 0 3 299.370 2.455 20 30 CEEDHN CC(C)C[C@H]1CCCN1CC(=O)NC1(C#N)CCC1 ZINC000346884840 395112367 /nfs/dbraw/zinc/11/23/67/395112367.db2.gz SHEBHDURFIQDIK-CYBMUJFWSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)CCc2ccc(C#N)cc2)CN1C1CC1 ZINC000177134804 395146155 /nfs/dbraw/zinc/14/61/55/395146155.db2.gz AKKCBQDPFYPXJE-XJKSGUPXSA-N 0 3 297.402 2.232 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)NCC#Cc1ccccc1 ZINC000349120611 395158817 /nfs/dbraw/zinc/15/88/17/395158817.db2.gz UBYKUVYFUOTLJK-INIZCTEOSA-N 0 3 270.376 2.029 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cnn3ccccc23)CC1 ZINC000348821770 395152516 /nfs/dbraw/zinc/15/25/16/395152516.db2.gz WMPRHYSYIOQBIA-UHFFFAOYSA-N 0 3 298.390 2.105 20 30 CEEDHN C[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000182000491 395229785 /nfs/dbraw/zinc/22/97/85/395229785.db2.gz LPYBTLAKUNMURA-JSGCOSHPSA-N 0 3 299.374 2.003 20 30 CEEDHN CN1CC[C@@]2(CCN(c3ncc(C#N)cc3Cl)C2)C1 ZINC000292152970 395186338 /nfs/dbraw/zinc/18/63/38/395186338.db2.gz CJTLKWKNWVDQSY-CQSZACIVSA-N 0 3 276.771 2.139 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N(C)CC1CCN(C)CC1 ZINC000352407732 395250460 /nfs/dbraw/zinc/25/04/60/395250460.db2.gz GLCCKKBZOBAKGU-MRXNPFEDSA-N 0 3 282.428 2.015 20 30 CEEDHN CO[C@](C)([C@H](C)NCc1ccc(C#N)cn1)C1CC1 ZINC000519605513 395197731 /nfs/dbraw/zinc/19/77/31/395197731.db2.gz JOIAXKFKCQWUEU-XHDPSFHLSA-N 0 3 259.353 2.246 20 30 CEEDHN C#CCN(C)CCCNc1ccc([N+](=O)[O-])cc1COC ZINC000292922797 395210753 /nfs/dbraw/zinc/21/07/53/395210753.db2.gz YPUQVJSPZKIIFB-UHFFFAOYSA-N 0 3 291.351 2.108 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@]1(O)CCC[C@H]1C ZINC000293191532 395223989 /nfs/dbraw/zinc/22/39/89/395223989.db2.gz XEYCUISINCZHFC-PBHICJAKSA-N 0 3 273.376 2.339 20 30 CEEDHN CC#CCN(C)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000293184610 395224081 /nfs/dbraw/zinc/22/40/81/395224081.db2.gz PWLSORCUAZFEJM-WMZOPIPTSA-N 0 3 287.403 2.397 20 30 CEEDHN C#CCOc1ccc(CNC[C@@H](OC)C2CC2)cc1 ZINC000293185561 395224121 /nfs/dbraw/zinc/22/41/21/395224121.db2.gz WVWYJJKVTCUSAL-MRXNPFEDSA-N 0 3 259.349 2.213 20 30 CEEDHN CC(=O)NC[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000186183334 395286999 /nfs/dbraw/zinc/28/69/99/395286999.db2.gz KLLLWONMTDOMRK-MRXNPFEDSA-N 0 3 285.391 2.215 20 30 CEEDHN Cc1cc(C#N)ccc1CN1CCC(N2CCCC2=O)CC1 ZINC000186205827 395287023 /nfs/dbraw/zinc/28/70/23/395287023.db2.gz AGHWRYFVKMVVAZ-UHFFFAOYSA-N 0 3 297.402 2.454 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000528758221 395294272 /nfs/dbraw/zinc/29/42/72/395294272.db2.gz FJVZSZHFDKTXBA-YRORDHRNSA-N 0 3 274.364 2.468 20 30 CEEDHN C=C[C@H](CO)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000353574588 395301848 /nfs/dbraw/zinc/30/18/48/395301848.db2.gz XKDFTGNXOGQFDH-ZBFHGGJFSA-N 0 3 256.349 2.462 20 30 CEEDHN C=CCOCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000354326566 395326706 /nfs/dbraw/zinc/32/67/06/395326706.db2.gz COODOOYVXSNEQP-CYBMUJFWSA-N 0 3 294.420 2.204 20 30 CEEDHN CCN(C)C(=O)[C@@H](NCc1ccc(F)c(C#N)c1)C(C)C ZINC000296229966 395312539 /nfs/dbraw/zinc/31/25/39/395312539.db2.gz KOQBHVWQLRTGQE-HNNXBMFYSA-N 0 3 291.370 2.290 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)CCC#N)CN1C1CC1 ZINC000354235906 395321941 /nfs/dbraw/zinc/32/19/41/395321941.db2.gz MMYUKDLRZDHZIJ-CHWSQXEVSA-N 0 3 292.427 2.241 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)NCC(C)(C)CCC#N)CN1C1CC1 ZINC000354235911 395322629 /nfs/dbraw/zinc/32/26/29/395322629.db2.gz MMYUKDLRZDHZIJ-OLZOCXBDSA-N 0 3 292.427 2.241 20 30 CEEDHN COc1ccc(C#N)cc1CN(C)[C@H]1CC[C@H](O)CC1 ZINC000439281569 395257065 /nfs/dbraw/zinc/25/70/65/395257065.db2.gz FXUDYUFKNIMLQJ-SHTZXODSSA-N 0 3 274.364 2.302 20 30 CEEDHN C=C[C@@H](CO)NCc1cccc(OCc2ccccn2)c1 ZINC000352478931 395258421 /nfs/dbraw/zinc/25/84/21/395258421.db2.gz BUMMHJLDDJCASB-HNNXBMFYSA-N 0 3 284.359 2.297 20 30 CEEDHN C#CCN(C)CCCNC(=O)[C@H](c1ccccc1)C1CC1 ZINC000293969469 395260573 /nfs/dbraw/zinc/26/05/73/395260573.db2.gz LYDGVBOHGYCAOD-QGZVFWFLSA-N 0 3 284.403 2.252 20 30 CEEDHN COc1cc(CN(C[C@@H](C)O)C(C)C)ccc1C#N ZINC000442883166 395397569 /nfs/dbraw/zinc/39/75/69/395397569.db2.gz GNZJRDOKSNLXSK-GFCCVEGCSA-N 0 3 262.353 2.158 20 30 CEEDHN Cc1cccc(C(=O)NCCN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442708841 395390428 /nfs/dbraw/zinc/39/04/28/395390428.db2.gz LTPMJEZWFSCMEU-ZFWWWQNUSA-N 0 3 271.364 2.007 20 30 CEEDHN N#CC(C(=O)c1ccc2c(c1)CCC2)c1ccncn1 ZINC000354457495 395332989 /nfs/dbraw/zinc/33/29/89/395332989.db2.gz BDWXMOKLEZCKQY-CQSZACIVSA-N 0 3 263.300 2.455 20 30 CEEDHN C=CCN(C)CCN(CC)[C@@H](C(=O)OC)c1ccsc1 ZINC000411640194 395334433 /nfs/dbraw/zinc/33/44/33/395334433.db2.gz DWORYCSRKJASRV-CQSZACIVSA-N 0 3 296.436 2.402 20 30 CEEDHN C[C@@H]1CN(CCC2(C#N)CCCCC2)C[C@H](C)N1CCO ZINC000411789593 395338677 /nfs/dbraw/zinc/33/86/77/395338677.db2.gz NQMZNMZLPUIVIO-IYBDPMFKSA-N 0 3 293.455 2.237 20 30 CEEDHN COC[C@@H]1C[C@H](O)CN1Cc1ccccc1C(C)(C)C#N ZINC000411914946 395341095 /nfs/dbraw/zinc/34/10/95/395341095.db2.gz VGZIQLQTBIAGTQ-GJZGRUSLSA-N 0 3 288.391 2.069 20 30 CEEDHN Cc1cc(CNCCn2cnnc2C2CC2)ccc1C#N ZINC000444002882 395410256 /nfs/dbraw/zinc/41/02/56/395410256.db2.gz LAHAHYLFLDYEFV-UHFFFAOYSA-N 0 3 281.363 2.125 20 30 CEEDHN CC(C)[C@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000446714824 395496342 /nfs/dbraw/zinc/49/63/42/395496342.db2.gz NQENGEFPBYRQPD-INIZCTEOSA-N 0 3 285.391 2.152 20 30 CEEDHN N#Cc1ccccc1CN[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000449510211 395552114 /nfs/dbraw/zinc/55/21/14/395552114.db2.gz PTRQAIIWNJIHLR-IAGOWNOFSA-N 0 3 270.376 2.445 20 30 CEEDHN CC(C)[C@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])CCN1C ZINC000450480970 395572231 /nfs/dbraw/zinc/57/22/31/395572231.db2.gz VIMRLHKSQUPDQW-CQSZACIVSA-N 0 3 288.351 2.243 20 30 CEEDHN CC[C@@H]1CN(CC)CCN1CCOc1ccc(C#N)cc1 ZINC000451724988 395624357 /nfs/dbraw/zinc/62/43/57/395624357.db2.gz KIXHAKXJJQFPIY-MRXNPFEDSA-N 0 3 287.407 2.353 20 30 CEEDHN CC[C@H](C)N1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000451840059 395625588 /nfs/dbraw/zinc/62/55/88/395625588.db2.gz KCNRIHLQIWPGSJ-AWEZNQCLSA-N 0 3 287.407 2.483 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2C[C@H]3OCCC[C@@H]23)cc1F ZINC000453381301 395628042 /nfs/dbraw/zinc/62/80/42/395628042.db2.gz KTCXBOLJMPBQGN-NWANDNLSSA-N 0 3 260.312 2.354 20 30 CEEDHN Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCCN(C)[C@H]2C)c1 ZINC000455953081 395632127 /nfs/dbraw/zinc/63/21/27/395632127.db2.gz JRDMCLDKUBAQLY-SWLSCSKDSA-N 0 3 286.379 2.471 20 30 CEEDHN CC(C)NC(=O)CCNC(C)(C)c1cccc(C#N)c1 ZINC000595635839 395666322 /nfs/dbraw/zinc/66/63/22/395666322.db2.gz MFVGVXDCMVBMOJ-UHFFFAOYSA-N 0 3 273.380 2.298 20 30 CEEDHN CN(C)C[C@@H]1CCCN1c1nc2ncccc2cc1C#N ZINC000596156905 395666529 /nfs/dbraw/zinc/66/65/29/395666529.db2.gz NWHKFMPXYFZGNJ-AWEZNQCLSA-N 0 3 281.363 2.032 20 30 CEEDHN CC(C)[C@@H]1CN(Cc2cccc(C#N)c2)CCN1C ZINC000487973408 395667585 /nfs/dbraw/zinc/66/75/85/395667585.db2.gz SPKPBUFIAZZHKN-INIZCTEOSA-N 0 3 257.381 2.330 20 30 CEEDHN CN(CCN(C)C1CC1)C(=O)/C=C\c1cccc(C#N)c1 ZINC000492711232 395671180 /nfs/dbraw/zinc/67/11/80/395671180.db2.gz TWTXBELUDFMFLZ-TWGQIWQCSA-N 0 3 283.375 2.124 20 30 CEEDHN C=C(C)[C@@H](CO)N1CCN(C2CCC(C)CC2)CC1 ZINC000649314455 396119168 /nfs/dbraw/zinc/11/91/68/396119168.db2.gz PCBVKVOEYWEOMS-UYSNPLJNSA-N 0 3 266.429 2.120 20 30 CEEDHN C=CC[C@@H](CO)NCc1cn(C)nc1-c1ccc(C)o1 ZINC000647201723 396438750 /nfs/dbraw/zinc/43/87/50/396438750.db2.gz ZFEQKRYQPAVGOE-ZDUSSCGKSA-N 0 3 275.352 2.015 20 30 CEEDHN C=CCCCCCN(C)CCn1nc2ccccn2c1=O ZINC000150876716 400281593 /nfs/dbraw/zinc/28/15/93/400281593.db2.gz LYTVKGVNSXQAGO-UHFFFAOYSA-N 0 3 288.395 2.174 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000334240654 400346389 /nfs/dbraw/zinc/34/63/89/400346389.db2.gz VTKBFXZWBGTDDE-ZWNOBZJWSA-N 0 3 278.739 2.479 20 30 CEEDHN C=C(C)[C@@H](CC(=O)NCCN1CCCCCC1)OCC ZINC000339424084 400364560 /nfs/dbraw/zinc/36/45/60/400364560.db2.gz RPKGUABYTLXILE-OAHLLOKOSA-N 0 3 282.428 2.350 20 30 CEEDHN C=CC[C@@H]1CC[C@H](NCc2nnnn2-c2ccccc2)C1 ZINC000651690840 401372908 /nfs/dbraw/zinc/37/29/08/401372908.db2.gz YINJFNNFZYLNTQ-KGLIPLIRSA-N 0 3 283.379 2.497 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H](CO)CCF ZINC000652014682 401432015 /nfs/dbraw/zinc/43/20/15/401432015.db2.gz HDEAJTBOEQXNBF-CYBMUJFWSA-N 0 3 253.317 2.062 20 30 CEEDHN CCN(CCNC(=O)[C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000360139969 155224729 /nfs/dbraw/zinc/22/47/29/155224729.db2.gz FTKJEIKZYQQPDF-CYBMUJFWSA-N 0 3 285.391 2.262 20 30 CEEDHN N#Cc1cc(Cl)ccc1CN[C@@H](CO)C1CCOCC1 ZINC000360242633 155251232 /nfs/dbraw/zinc/25/12/32/155251232.db2.gz QEMLTPSARGWHIB-HNNXBMFYSA-N 0 3 294.782 2.089 20 30 CEEDHN C[C@H](C(=O)N(C)CCN(C)C1CC1)c1cccc(C#N)c1 ZINC000360652831 155344914 /nfs/dbraw/zinc/34/49/14/155344914.db2.gz MTTJEDYLNREERF-ZDUSSCGKSA-N 0 3 285.391 2.214 20 30 CEEDHN COC(=O)[C@]12CCC[C@@H]1CN(Cc1cccc(C#N)c1)C2 ZINC000360678243 155348968 /nfs/dbraw/zinc/34/89/68/155348968.db2.gz CMHNZDJMLXBYCD-WBVHZDCISA-N 0 3 284.359 2.333 20 30 CEEDHN Cn1cc(CNCCOc2ccc(F)cc2F)cc1C#N ZINC000190979388 153152363 /nfs/dbraw/zinc/15/23/63/153152363.db2.gz UPRUKODAVDIVAV-UHFFFAOYSA-N 0 3 291.301 2.344 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CCCO[C@H]3CCC[C@@H]32)cc1 ZINC000368451568 156345992 /nfs/dbraw/zinc/34/59/92/156345992.db2.gz TUGHFMSVSUWBSU-BBWFWOEESA-N 0 3 286.375 2.235 20 30 CEEDHN N#Cc1cccc(CN2CCC[C@H](c3ccnc(N)n3)C2)c1 ZINC000368454353 156346602 /nfs/dbraw/zinc/34/66/02/156346602.db2.gz KGKVUXODIQYHPA-HNNXBMFYSA-N 0 3 293.374 2.140 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 ZINC000368596249 156372841 /nfs/dbraw/zinc/37/28/41/156372841.db2.gz UQDAIZWYVGAQGT-SJORKVTESA-N 0 3 297.402 2.043 20 30 CEEDHN C[C@@H]1CC[C@H](N[C@H](C(N)=O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000119566104 296737223 /nfs/dbraw/zinc/73/72/23/296737223.db2.gz KFRMPYJHRCSTDR-MPTQWLOMSA-N 0 3 285.391 2.499 20 30 CEEDHN C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1)c1cccc(C#N)c1 ZINC000376177306 157195218 /nfs/dbraw/zinc/19/52/18/157195218.db2.gz GSNBOVQRNPPAEG-CJNGLKHVSA-N 0 3 295.390 2.221 20 30 CEEDHN CC[C@@H]1CCCCN1CCNC(=O)N(C)C[C@H](C)C#N ZINC000347476004 287007991 /nfs/dbraw/zinc/00/79/91/287007991.db2.gz AVDGQNIVOOVSGQ-ZIAGYGMSSA-N 0 3 280.416 2.052 20 30 CEEDHN C[C@@H](N[C@@H](C)Cn1cccn1)c1ccc(C#N)cc1 ZINC000037155382 287049339 /nfs/dbraw/zinc/04/93/39/287049339.db2.gz RXXBZHYXHWDKTP-QWHCGFSZSA-N 0 3 254.337 2.494 20 30 CEEDHN Cn1cc(N2CCC[C@H](NCc3ccc(C#N)cc3)C2)cn1 ZINC000174519017 165108333 /nfs/dbraw/zinc/10/83/33/165108333.db2.gz NKHCBYLRDAFTAA-INIZCTEOSA-N 0 3 295.390 2.050 20 30 CEEDHN CC(C)[C@H]1CN(C)CCN1Cc1cccc(C#N)c1 ZINC000174700051 165114997 /nfs/dbraw/zinc/11/49/97/165114997.db2.gz CCOMQHCRVDXANE-MRXNPFEDSA-N 0 3 257.381 2.330 20 30 CEEDHN N#Cc1ccc(CN[C@@H]2Cc3ccccc3[C@H]2O)s1 ZINC000176970857 165180623 /nfs/dbraw/zinc/18/06/23/165180623.db2.gz XIOQIJGMWDLQIZ-HUUCEWRRSA-N 0 3 270.357 2.368 20 30 CEEDHN N#Cc1ccc(CNC[C@@H]2COc3ccccc3O2)cc1 ZINC000020137980 171025375 /nfs/dbraw/zinc/02/53/75/171025375.db2.gz WNFZKOCFDIMMHY-OAHLLOKOSA-N 0 3 280.327 2.488 20 30 CEEDHN C=CCn1c(N)nnc1SC[C@H]1CCCCN1C(C)C ZINC000665686230 414756476 /nfs/dbraw/zinc/75/64/76/414756476.db2.gz UTEMBTZHZIGVEN-GFCCVEGCSA-N 0 3 295.456 2.401 20 30 CEEDHN CCC(CC)[C@H](O)CNCc1ccc(C#N)c(OC)c1 ZINC000230601369 414847075 /nfs/dbraw/zinc/84/70/75/414847075.db2.gz ZMRVUIZKIRSTTJ-OAHLLOKOSA-N 0 3 276.380 2.454 20 30 CEEDHN C=CCCn1cc(CNC[C@@H](C)N2CCCC[C@@H]2C)nn1 ZINC000657308080 414848303 /nfs/dbraw/zinc/84/83/03/414848303.db2.gz MSGZJPMDWOJIFS-LSDHHAIUSA-N 0 3 291.443 2.207 20 30 CEEDHN C[C@@H]1[C@@H](Nc2ccnc(C#N)n2)CCN1Cc1ccccc1 ZINC000309970587 414856330 /nfs/dbraw/zinc/85/63/30/414856330.db2.gz NIHXBESSMACMKR-HIFRSBDPSA-N 0 3 293.374 2.423 20 30 CEEDHN C=CC[C@H](C)NC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000660681958 414933841 /nfs/dbraw/zinc/93/38/41/414933841.db2.gz YXISRNAEVMFKDG-UONOGXRCSA-N 0 3 267.417 2.371 20 30 CEEDHN C=C(C)CN1CCC(Nc2cc(CO)cc(C)n2)CC1 ZINC000663568547 414990290 /nfs/dbraw/zinc/99/02/90/414990290.db2.gz XHUAYYWMLISWRI-UHFFFAOYSA-N 0 3 275.396 2.335 20 30 CEEDHN C=CC[C@H]1CCCN(C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000660844893 415006736 /nfs/dbraw/zinc/00/67/36/415006736.db2.gz WQTJCYHKUCIYKF-KBPBESRZSA-N 0 3 277.412 2.221 20 30 CEEDHN C=CCCn1cc(CNC[C@@H]2CCC(F)(F)C2)nn1 ZINC000657455729 414945989 /nfs/dbraw/zinc/94/59/89/414945989.db2.gz SKVYLEHSZHKIJT-LLVKDONJSA-N 0 3 270.327 2.379 20 30 CEEDHN C=CCCn1cc(CNC[C@H]2CCCSC2)nn1 ZINC000657466833 414953490 /nfs/dbraw/zinc/95/34/90/414953490.db2.gz BOOZGQMXCCDERF-GFCCVEGCSA-N 0 3 266.414 2.087 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC1(N(C)C)CCC1 ZINC000661052360 415076460 /nfs/dbraw/zinc/07/64/60/415076460.db2.gz VAYKVADTDXGTJO-OKILXGFUSA-N 0 3 277.412 2.363 20 30 CEEDHN C=CCOCCCNCc1c(CC)nn(C)c1CC ZINC000657657781 415037881 /nfs/dbraw/zinc/03/78/81/415037881.db2.gz CCJXMUUMLDOEEI-UHFFFAOYSA-N 0 3 265.401 2.227 20 30 CEEDHN C=CCOCCCNCc1nn(C)c2ccccc12 ZINC000657658243 415038965 /nfs/dbraw/zinc/03/89/65/415038965.db2.gz QAIRSWXFWBQABD-UHFFFAOYSA-N 0 3 259.353 2.256 20 30 CEEDHN C=CCOCCCNCc1cc(C(F)(F)F)nn1C ZINC000657659489 415040204 /nfs/dbraw/zinc/04/02/04/415040204.db2.gz ZICQGDHOPXZACV-UHFFFAOYSA-N 0 3 277.290 2.121 20 30 CEEDHN C=CCN(C[C@@H](O)COc1ccccc1C)[C@H](C)COC ZINC000661246285 415157425 /nfs/dbraw/zinc/15/74/25/415157425.db2.gz HYWDUKAGDBXLRX-HZPDHXFCSA-N 0 3 293.407 2.258 20 30 CEEDHN CCCCN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000043305010 175003276 /nfs/dbraw/zinc/00/32/76/175003276.db2.gz OPLNBVGAPOQTNB-ZDUSSCGKSA-N 0 3 265.401 2.449 20 30 CEEDHN CN1CCC[C@@H](CNc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000044537975 175199391 /nfs/dbraw/zinc/19/93/91/175199391.db2.gz ACZIKVIXZOFEMY-LBPRGKRZSA-N 0 3 274.324 2.220 20 30 CEEDHN C=CCN(C(=O)Nc1ccc2c(c1)CNC2)[C@H](C)COC ZINC000659023549 415391098 /nfs/dbraw/zinc/39/10/98/415391098.db2.gz ZKYLPWGKQGCCNE-GFCCVEGCSA-N 0 3 289.379 2.345 20 30 CEEDHN C=CCN(CC=C)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659271163 415485051 /nfs/dbraw/zinc/48/50/51/415485051.db2.gz NFNGFTHMWBNMMY-HNNXBMFYSA-N 0 3 256.349 2.422 20 30 CEEDHN C=CCC[C@@H](O)CN1CCc2cc(OC)ccc2C1 ZINC000661740190 415436220 /nfs/dbraw/zinc/43/62/20/415436220.db2.gz KYOJKEAJQJHJSZ-OAHLLOKOSA-N 0 3 261.365 2.380 20 30 CEEDHN C=CCCCCNC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000664697889 415454547 /nfs/dbraw/zinc/45/45/47/415454547.db2.gz JYPVGPDKMBZYFA-AWEZNQCLSA-N 0 3 267.417 2.468 20 30 CEEDHN C=CCC1(CNC(=O)N[C@@H](CN)C(F)(F)F)CCCC1 ZINC000655930665 415551960 /nfs/dbraw/zinc/55/19/60/415551960.db2.gz BNQYBZORJMUQAS-JTQLQIEISA-N 0 3 293.333 2.312 20 30 CEEDHN C=CCOCCN1CCOC(C2CC2)(C2CC2)C1 ZINC000661993474 415562319 /nfs/dbraw/zinc/56/23/19/415562319.db2.gz LGUBDMSZJCMIFZ-UHFFFAOYSA-N 0 3 251.370 2.080 20 30 CEEDHN C=CCCCCN1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662006987 415568162 /nfs/dbraw/zinc/56/81/62/415568162.db2.gz DWIDSOQJHCJYSN-CYBMUJFWSA-N 0 3 253.390 2.030 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N(CC)CC ZINC000662081744 415615859 /nfs/dbraw/zinc/61/58/59/415615859.db2.gz XOODIGYBWVWBHV-MELADBBJSA-N 0 3 250.386 2.426 20 30 CEEDHN C=C[C@H](CO)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000662165906 415668594 /nfs/dbraw/zinc/66/85/94/415668594.db2.gz WHAVDNFHKSCYIE-GFCCVEGCSA-N 0 3 293.754 2.069 20 30 CEEDHN C=C[C@H](CO)NCCc1cccc(OC(F)(F)F)c1 ZINC000662168822 415668652 /nfs/dbraw/zinc/66/86/52/415668652.db2.gz WMXGQMLMTMZTQE-LLVKDONJSA-N 0 3 275.270 2.264 20 30 CEEDHN C[C@@H](CNc1nc2ccccc2cc1C#N)N(C)C ZINC000071385813 176147352 /nfs/dbraw/zinc/14/73/52/176147352.db2.gz VKLNPMOLAZRGMR-NSHDSACASA-N 0 3 254.337 2.468 20 30 CEEDHN C=CCCN[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000656680789 415810847 /nfs/dbraw/zinc/81/08/47/415810847.db2.gz UYKCQPLKOLJPDK-GFCCVEGCSA-N 0 3 286.297 2.268 20 30 CEEDHN C=CCCCN(C)C(=O)c1cc2c(s1)CCNC2 ZINC000662469444 415855590 /nfs/dbraw/zinc/85/55/90/415855590.db2.gz WKISTRJIOLJHFI-UHFFFAOYSA-N 0 3 264.394 2.432 20 30 CEEDHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CCCCC#N ZINC000077377298 177260727 /nfs/dbraw/zinc/26/07/27/177260727.db2.gz IZZHOERTFBNBAX-GFCCVEGCSA-N 0 3 295.408 2.021 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)on2)CC1 ZINC000078533167 177351140 /nfs/dbraw/zinc/35/11/40/177351140.db2.gz XUFDEQKMKUWXEE-UHFFFAOYSA-N 0 3 278.356 2.145 20 30 CEEDHN N#CC(C(=O)c1cnn(CCF)c1)c1nc2ccccc2[nH]1 ZINC000344850739 225179880 /nfs/dbraw/zinc/17/98/80/225179880.db2.gz RWPHRJQLOODAKR-NSHDSACASA-N 0 3 297.293 2.219 20 30 CEEDHN CCn1c2ccccc2nc1[C@H](C)NC(=O)C(C)C#N ZINC000347128582 226037729 /nfs/dbraw/zinc/03/77/29/226037729.db2.gz GMYAYXJHXLEQRS-QWRGUYRKSA-N 0 3 270.336 2.393 20 30 CEEDHN C=CCN1CCC(NC(=O)/C=C/c2ccccc2)CC1 ZINC000171724922 335075930 /nfs/dbraw/zinc/07/59/30/335075930.db2.gz AODQAQTWYBCRLE-CMDGGOBGSA-N 0 3 270.376 2.466 20 30 CEEDHN N#Cc1csc(CN[C@H](CCO)C2CCCCC2)n1 ZINC000352796908 227231461 /nfs/dbraw/zinc/23/14/61/227231461.db2.gz LDINOHIHXCMDIQ-CYBMUJFWSA-N 0 3 279.409 2.436 20 30 CEEDHN CC(C#N)C(=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000334142083 227332126 /nfs/dbraw/zinc/33/21/26/227332126.db2.gz MUOFHTSDKOSROB-AWEZNQCLSA-N 0 3 297.402 2.447 20 30 CEEDHN Cc1cc(C)n([C@H](C)C(=O)NCC2=CCN(C)CC2)n1 ZINC000329183370 227343054 /nfs/dbraw/zinc/34/30/54/227343054.db2.gz FPLJDSBQQPXIQM-CYBMUJFWSA-N 0 3 276.384 2.279 20 30 CEEDHN N#Cc1csc(CN2CCC[C@@H](N3CCCC3)C2)n1 ZINC000356091695 228117676 /nfs/dbraw/zinc/11/76/76/228117676.db2.gz TUXOVZADLWSBNK-CYBMUJFWSA-N 0 3 276.409 2.075 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000335931153 228166818 /nfs/dbraw/zinc/16/68/18/228166818.db2.gz KODAYVVZRHMBML-OLZOCXBDSA-N 0 3 282.347 2.187 20 30 CEEDHN C=CCOCCCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000666517704 419703410 /nfs/dbraw/zinc/70/34/10/419703410.db2.gz PVNKQTLJWIIQRW-UHFFFAOYSA-N 0 3 297.443 2.000 20 30 CEEDHN C=CCCCCNC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000370374985 260026692 /nfs/dbraw/zinc/02/66/92/260026692.db2.gz RCPLJWUZSJCZBD-CQSZACIVSA-N 0 3 265.401 2.222 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@](CC)(CO)C1 ZINC000187568562 260040010 /nfs/dbraw/zinc/04/00/10/260040010.db2.gz UNOZYRSTEZERRL-RDJZCZTQSA-N 0 3 294.439 2.060 20 30 CEEDHN CCn1cnnc1C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000407988827 260152695 /nfs/dbraw/zinc/15/26/95/260152695.db2.gz GJGVWRMUACOTTA-JSGCOSHPSA-N 0 3 273.384 2.170 20 30 CEEDHN C[C@H]1OCC[C@@]1(O)CN(CCCC#N)Cc1ccccc1 ZINC000447916837 260165231 /nfs/dbraw/zinc/16/52/31/260165231.db2.gz PUMYOWAFXOXGRF-NVXWUHKLSA-N 0 3 288.391 2.332 20 30 CEEDHN C=CCOc1ccc(CNC(C)(C)C(=O)NCC)cc1 ZINC000312895890 260219648 /nfs/dbraw/zinc/21/96/48/260219648.db2.gz OWGQCDBQZYTBFN-UHFFFAOYSA-N 0 3 276.380 2.256 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1[C@H](C)CC[C@H]1CC ZINC000357556319 260230625 /nfs/dbraw/zinc/23/06/25/260230625.db2.gz VRDRUPLYOUZSDO-ZIAGYGMSSA-N 0 3 250.386 2.450 20 30 CEEDHN C[N@H+](CCCSCC#N)Cc1ccccc1[O-] ZINC000072517865 260276565 /nfs/dbraw/zinc/27/65/65/260276565.db2.gz QJXQSCMGGHJDGN-UHFFFAOYSA-N 0 3 250.367 2.471 20 30 CEEDHN C[N@@H+](CCCSCC#N)Cc1ccccc1[O-] ZINC000072517865 260276566 /nfs/dbraw/zinc/27/65/66/260276566.db2.gz QJXQSCMGGHJDGN-UHFFFAOYSA-N 0 3 250.367 2.471 20 30 CEEDHN C=CCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000517943786 260323500 /nfs/dbraw/zinc/32/35/00/260323500.db2.gz RIUAONLEIXVLPO-INIZCTEOSA-N 0 3 273.380 2.136 20 30 CEEDHN COc1cc(CNCCOC(C)(C)C)ccc1C#N ZINC000308509690 260387237 /nfs/dbraw/zinc/38/72/37/260387237.db2.gz BJBUXDIXKFQOIF-UHFFFAOYSA-N 0 3 262.353 2.472 20 30 CEEDHN COc1ccc(CC[C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000357823713 260485120 /nfs/dbraw/zinc/48/51/20/260485120.db2.gz UJASKYIWLXEUIP-NWDGAFQWSA-N 0 3 260.337 2.292 20 30 CEEDHN C#CCCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000248897469 261213357 /nfs/dbraw/zinc/21/33/57/261213357.db2.gz UASZSKUHYDHSLZ-DOTOQJQBSA-N 0 3 299.418 2.220 20 30 CEEDHN C#CCNC(=O)C1CCN(Cc2ccc(CC)cc2)CC1 ZINC000491106166 261331987 /nfs/dbraw/zinc/33/19/87/261331987.db2.gz XMGYGQBHROTTID-UHFFFAOYSA-N 0 3 284.403 2.210 20 30 CEEDHN C[C@](C#N)(NC(=O)CN1CCC[C@H]2CCCC[C@H]21)C1CC1 ZINC000302745053 261354454 /nfs/dbraw/zinc/35/44/54/261354454.db2.gz FIGBNFXAISPBBV-FRFSOERESA-N 0 3 289.423 2.449 20 30 CEEDHN C=CCN1CCC(Nc2ncnc3c2CCCC3)CC1 ZINC000363841511 261959860 /nfs/dbraw/zinc/95/98/60/261959860.db2.gz ITRUCDKIMOSGSU-UHFFFAOYSA-N 0 3 272.396 2.418 20 30 CEEDHN CC(C[C@@H](C)CCNC(=O)OC(C)(C)C)=Nn1cnnc1 ZINC000497200248 262103681 /nfs/dbraw/zinc/10/36/81/262103681.db2.gz GACXHXUHSXCPBB-NSHDSACASA-N 0 3 295.387 2.443 20 30 CEEDHN N#CCCCN[C@H](CO)c1cccc(Br)c1 ZINC000183907188 262179049 /nfs/dbraw/zinc/17/90/49/262179049.db2.gz VEPKHWSYMSLRJE-GFCCVEGCSA-N 0 3 283.169 2.376 20 30 CEEDHN CN(Cc1ccccc1)C(=O)CN[C@H]1CCC[C@@H](C#N)C1 ZINC000192702464 262208757 /nfs/dbraw/zinc/20/87/57/262208757.db2.gz FLNDVGVIEZLOOS-CVEARBPZSA-N 0 3 285.391 2.317 20 30 CEEDHN C=CCN(C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000186273810 262313538 /nfs/dbraw/zinc/31/35/38/262313538.db2.gz SHCFLPPONJWOJU-ZDUSSCGKSA-N 0 3 294.420 2.405 20 30 CEEDHN C=CCCN(C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000336786518 262394638 /nfs/dbraw/zinc/39/46/38/262394638.db2.gz IFFKJWUJDRGMND-JTQLQIEISA-N 0 3 264.291 2.048 20 30 CEEDHN C[C@H]1C[C@H](Nc2ncc3c(c2C#N)CCC3)CN1C1CC1 ZINC000515298673 269895495 /nfs/dbraw/zinc/89/54/95/269895495.db2.gz BMCBCXKEZVIUKA-AAEUAGOBSA-N 0 3 282.391 2.479 20 30 CEEDHN C=CCOc1ccc(C(=O)NCCN(CC)C2CC2)cc1 ZINC000338461658 262537601 /nfs/dbraw/zinc/53/76/01/262537601.db2.gz ORXDQJYMQBHPAO-UHFFFAOYSA-N 0 3 288.391 2.466 20 30 CEEDHN C=CCNC(=O)CN[C@H](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000338780575 262560636 /nfs/dbraw/zinc/56/06/36/262560636.db2.gz ZBCLWMMSERTBFQ-BPLDGKMQSA-N 0 3 258.365 2.070 20 30 CEEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000320351917 262628624 /nfs/dbraw/zinc/62/86/24/262628624.db2.gz FRZCDBZKPWCWIV-OCCSQVGLSA-N 0 3 297.420 2.068 20 30 CEEDHN CC(C#N)C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000339921434 262694123 /nfs/dbraw/zinc/69/41/23/262694123.db2.gz GTGAOEVWKQKJFP-SWLSCSKDSA-N 0 3 290.338 2.493 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(CC#N)cc2)CCN1C ZINC000270329063 262986686 /nfs/dbraw/zinc/98/66/86/262986686.db2.gz MWRYARPMJSQMIP-CJNGLKHVSA-N 0 3 285.391 2.307 20 30 CEEDHN N#CCSCCCN[C@@H](CO)c1ccc(F)cc1 ZINC000273157450 263013386 /nfs/dbraw/zinc/01/33/86/263013386.db2.gz YNEXTWILOIWIRW-ZDUSSCGKSA-N 0 3 268.357 2.096 20 30 CEEDHN CC(C)(C)C[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000452069979 263034194 /nfs/dbraw/zinc/03/41/94/263034194.db2.gz FNNKKLBDOWRPNO-ZDUSSCGKSA-N 0 3 277.412 2.307 20 30 CEEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](CC(C)(C)C)C1 ZINC000452075589 263034698 /nfs/dbraw/zinc/03/46/98/263034698.db2.gz IFQFHVUVCJIFAN-CHWSQXEVSA-N 0 3 252.402 2.435 20 30 CEEDHN CN1CCC[C@H]1CNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280127436 263059206 /nfs/dbraw/zinc/05/92/06/263059206.db2.gz MIGJGQPIDBFYGM-HNNXBMFYSA-N 0 3 285.391 2.312 20 30 CEEDHN CC[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280134201 263059247 /nfs/dbraw/zinc/05/92/47/263059247.db2.gz QQKDRAIIUPBBDO-XJKSGUPXSA-N 0 3 281.359 2.499 20 30 CEEDHN CO[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000280579743 263063164 /nfs/dbraw/zinc/06/31/64/263063164.db2.gz VZKJKNMEKMDNKV-HZPDHXFCSA-N 0 3 299.374 2.028 20 30 CEEDHN CC(=O)NCCN(CCCCC#N)Cc1ccsc1 ZINC000282411809 263076614 /nfs/dbraw/zinc/07/66/14/263076614.db2.gz FYVPOJAIXGUXIW-UHFFFAOYSA-N 0 3 279.409 2.380 20 30 CEEDHN CCN(CC)Cc1cccc(NC(=O)/C=N/OC)c1 ZINC000282832073 263079001 /nfs/dbraw/zinc/07/90/01/263079001.db2.gz AJHDLTMAYDVDOA-XNTDXEJSSA-N 0 3 263.341 2.099 20 30 CEEDHN CC[C@@](C)(C#N)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000285094344 263090120 /nfs/dbraw/zinc/09/01/20/263090120.db2.gz SVUICFCJCGULKM-HOCLYGCPSA-N 0 3 273.380 2.345 20 30 CEEDHN N#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000290957327 263119289 /nfs/dbraw/zinc/11/92/89/263119289.db2.gz MWDHTDVCFONOJV-HNNXBMFYSA-N 0 3 271.364 2.071 20 30 CEEDHN CCCN(CC#N)C(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291367905 263121622 /nfs/dbraw/zinc/12/16/22/263121622.db2.gz ADYXZDMAFMRVGW-KBPBESRZSA-N 0 3 286.331 2.053 20 30 CEEDHN C=CCC(C)(C)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000340390844 263131214 /nfs/dbraw/zinc/13/12/14/263131214.db2.gz YDGFIUYHBXJRKN-ZDUSSCGKSA-N 0 3 252.402 2.389 20 30 CEEDHN COc1ccc([C@H]2CCN(CCOCCC#N)C2)cc1 ZINC000293018109 263137252 /nfs/dbraw/zinc/13/72/52/263137252.db2.gz IAHZKNNHQUKOIM-HNNXBMFYSA-N 0 3 274.364 2.415 20 30 CEEDHN CCc1ccc([C@H](C#N)NC(=O)CN(CC)CC)cc1 ZINC000293291039 263139167 /nfs/dbraw/zinc/13/91/67/263139167.db2.gz IAERYACXLDSBTO-HNNXBMFYSA-N 0 3 273.380 2.272 20 30 CEEDHN CN(CCOCCC#N)CCc1ccc(F)cc1 ZINC000293430518 263140145 /nfs/dbraw/zinc/14/01/45/263140145.db2.gz JGTPIDLQMUKSSU-UHFFFAOYSA-N 0 3 250.317 2.230 20 30 CEEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H]1C ZINC000294093639 263155902 /nfs/dbraw/zinc/15/59/02/263155902.db2.gz MJXPEYLALMIYKQ-XUJVJEKNSA-N 0 3 267.332 2.107 20 30 CEEDHN CN1CCC[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 ZINC000294122385 263156322 /nfs/dbraw/zinc/15/63/22/263156322.db2.gz LXAWDXPFSNRUNZ-SFHVURJKSA-N 0 3 297.402 2.311 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H]2CF)cc1 ZINC000294141942 263156455 /nfs/dbraw/zinc/15/64/55/263156455.db2.gz QWHNQXHSLUYFQR-CABCVRRESA-N 0 3 285.322 2.201 20 30 CEEDHN C=CC[C@@H](CO)NCc1cnc(C(F)(F)F)s1 ZINC000341430171 263337123 /nfs/dbraw/zinc/33/71/23/263337123.db2.gz JDVJHEFEPRSJHF-ZETCQYMHSA-N 0 3 266.288 2.189 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000341502313 263339840 /nfs/dbraw/zinc/33/98/40/263339840.db2.gz FRDKEFXKZLODOV-MJBXVCDLSA-N 0 3 265.401 2.219 20 30 CEEDHN CCN1CCN(C(=O)C(C#N)CCc2ccccc2)[C@H](C)C1 ZINC000341796046 263349774 /nfs/dbraw/zinc/34/97/74/263349774.db2.gz HIZLKQHRYONAES-WBVHZDCISA-N 0 3 299.418 2.312 20 30 CEEDHN COCC1(C#N)CCN(CCCOCC(F)(F)F)CC1 ZINC000341976935 263368688 /nfs/dbraw/zinc/36/86/88/263368688.db2.gz LEQDWKNTKMFRLR-UHFFFAOYSA-N 0 3 294.317 2.208 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000342437523 263433973 /nfs/dbraw/zinc/43/39/73/263433973.db2.gz NJPMLUABKOGPAY-HLLBOEOZSA-N 0 3 294.439 2.300 20 30 CEEDHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)CCCC#N ZINC000171956519 335086468 /nfs/dbraw/zinc/08/64/68/335086468.db2.gz CMGRPKQNJTYCAC-NSHDSACASA-N 0 3 255.362 2.135 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)[C@H]1CCCC(=O)N1 ZINC000328692691 263844520 /nfs/dbraw/zinc/84/45/20/263844520.db2.gz FIXYQHYAFZCCSW-VXGBXAGGSA-N 0 3 267.373 2.326 20 30 CEEDHN COCC(C)(C)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000425347347 264020322 /nfs/dbraw/zinc/02/03/22/264020322.db2.gz HPZAIUFPLSMNMU-UHFFFAOYSA-N 0 3 281.444 2.359 20 30 CEEDHN C[C@H](C(=O)NC(=O)NC(C)(C)C)N(C)C[C@@H]1CC=CCC1 ZINC000330815516 264045433 /nfs/dbraw/zinc/04/54/33/264045433.db2.gz DDEUAIRHCWIKKM-CHWSQXEVSA-N 0 3 295.427 2.492 20 30 CEEDHN CC(C)[C@H](C)CNC([O-])=[NH+][C@H](C)Cn1ccnc1 ZINC000330836184 264051225 /nfs/dbraw/zinc/05/12/25/264051225.db2.gz WVYDAXGQDUKFHR-VXGBXAGGSA-N 0 3 252.362 2.067 20 30 CEEDHN C[C@H]1CN(CC(=O)NC(=O)Nc2ccccc2)C(C)(C)C1 ZINC000330987244 264103926 /nfs/dbraw/zinc/10/39/26/264103926.db2.gz JERTYWCPKQKLAC-GFCCVEGCSA-N 0 3 289.379 2.469 20 30 CEEDHN Cc1c(C(=O)NCCN2CCCC(C)(C)C2)cnn1C ZINC000330988620 264104269 /nfs/dbraw/zinc/10/42/69/264104269.db2.gz RUUJFFUAZQXTAR-UHFFFAOYSA-N 0 3 278.400 2.155 20 30 CEEDHN C=CCn1cc(CNC[C@H](C)c2ccccc2)nn1 ZINC000425354098 264126226 /nfs/dbraw/zinc/12/62/26/264126226.db2.gz MGHBDAHCPWMPOQ-ZDUSSCGKSA-N 0 3 256.353 2.357 20 30 CEEDHN CCc1nc(NC(=O)NC[C@@H](C)N(C)C)sc1C ZINC000331144097 264137373 /nfs/dbraw/zinc/13/73/73/264137373.db2.gz FZYZQPDCGYHRAX-MRVPVSSYSA-N 0 3 270.402 2.290 20 30 CEEDHN C=CCNC(=O)NC(=O)CN(C)[C@@H](C)C1CCCCC1 ZINC000331338336 264194606 /nfs/dbraw/zinc/19/46/06/264194606.db2.gz LQLHFKKCHOKTSH-LBPRGKRZSA-N 0 3 281.400 2.103 20 30 CEEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)NCc1nccs1 ZINC000331341233 264195219 /nfs/dbraw/zinc/19/52/19/264195219.db2.gz XTIHYMYZCSTEHZ-LLVKDONJSA-N 0 3 296.440 2.267 20 30 CEEDHN C=CC[C@@H]1N(CC(=O)NC(=O)NCC)CCCC1(C)C ZINC000331295489 264197887 /nfs/dbraw/zinc/19/78/87/264197887.db2.gz NKDPVHVDONYAOE-LBPRGKRZSA-N 0 3 281.400 2.103 20 30 CEEDHN Cc1cc(C)c(C#N)c(N2CCN(C)[C@H](C(C)C)C2)n1 ZINC000487040845 269986848 /nfs/dbraw/zinc/98/68/48/269986848.db2.gz DELDZCSHLRPKHD-HNNXBMFYSA-N 0 3 272.396 2.347 20 30 CEEDHN CC#CC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000292621394 264883404 /nfs/dbraw/zinc/88/34/04/264883404.db2.gz ONWIGHIZBGCAOM-MRXNPFEDSA-N 0 3 288.391 2.216 20 30 CEEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)C(=O)N1CCCC[C@H]1C ZINC000442786424 264981043 /nfs/dbraw/zinc/98/10/43/264981043.db2.gz ZIXAWMMJMQFNEC-XJFOESAGSA-N 0 3 263.385 2.058 20 30 CEEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cnc2cc(C)nn2c1C ZINC000320668366 265000131 /nfs/dbraw/zinc/00/01/31/265000131.db2.gz RTIIYOCDZWYGPV-JSGCOSHPSA-N 0 3 288.395 2.324 20 30 CEEDHN C=CCOc1ccc(CC(=O)NC2CCN(C)CC2)cc1 ZINC000294274058 265008308 /nfs/dbraw/zinc/00/83/08/265008308.db2.gz DYZSJUJDFJUTHM-UHFFFAOYSA-N 0 3 288.391 2.004 20 30 CEEDHN C=CCOCCCN1CCC[C@H](c2nc(C)no2)C1 ZINC000347967355 265139034 /nfs/dbraw/zinc/13/90/34/265139034.db2.gz HDUIPQVLFYZOTE-ZDUSSCGKSA-N 0 3 265.357 2.150 20 30 CEEDHN C=CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279999950 265581023 /nfs/dbraw/zinc/58/10/23/265581023.db2.gz LBVMOXDFOWHKCL-HNNXBMFYSA-N 0 3 267.332 2.323 20 30 CEEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000356494697 266125412 /nfs/dbraw/zinc/12/54/12/266125412.db2.gz APPKJXXVEVXGJC-ZENOOKHLSA-N 0 3 294.395 2.152 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000356578304 266141118 /nfs/dbraw/zinc/14/11/18/266141118.db2.gz CYYREQSHAAHHMG-XBFCOCLRSA-N 0 3 258.321 2.183 20 30 CEEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)C(F)(F)F)CC1 ZINC000357074220 266241783 /nfs/dbraw/zinc/24/17/83/266241783.db2.gz JAPPRUUXYAAEJH-SNVBAGLBSA-N 0 3 293.333 2.134 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2ccc(COC)o2)CC1 ZINC000357585793 266330631 /nfs/dbraw/zinc/33/06/31/266330631.db2.gz YDGCWXANXLMBHR-UHFFFAOYSA-N 0 3 292.379 2.196 20 30 CEEDHN Cc1ccc([C@@H](CN2CCOCC2)NCCCC#N)cc1 ZINC000357612771 266337056 /nfs/dbraw/zinc/33/70/56/266337056.db2.gz BSAJLWJLFJTEGH-QGZVFWFLSA-N 0 3 287.407 2.262 20 30 CEEDHN CC(C#N)C(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000357810296 266369077 /nfs/dbraw/zinc/36/90/77/266369077.db2.gz XEWWFHWJZJANJH-OLZOCXBDSA-N 0 3 260.337 2.430 20 30 CEEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000357917666 266385012 /nfs/dbraw/zinc/38/50/12/266385012.db2.gz QVUDNORVZJKEFX-BNOWGMLFSA-N 0 3 258.321 2.040 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN1CCC(C)(COC)CC1 ZINC000358743488 266491431 /nfs/dbraw/zinc/49/14/31/266491431.db2.gz HSHQTMOJWFWXLY-UHFFFAOYSA-N 0 3 282.428 2.160 20 30 CEEDHN C=CCN1CCC(NC(=O)C[C@H]2CCO[C@@H](CC)C2)CC1 ZINC000358984794 266517178 /nfs/dbraw/zinc/51/71/78/266517178.db2.gz OVKLTSLGHYBTEC-HOCLYGCPSA-N 0 3 294.439 2.348 20 30 CEEDHN N#CCSCCCN1CCC[C@H](c2ccncn2)C1 ZINC000360503995 266720836 /nfs/dbraw/zinc/72/08/36/266720836.db2.gz PELZQDWCZBKALE-ZDUSSCGKSA-N 0 3 276.409 2.303 20 30 CEEDHN CCC[C@H](O)CN(C)CCOCc1ccc(C#N)cc1 ZINC000451039866 267035948 /nfs/dbraw/zinc/03/59/48/267035948.db2.gz INFWBXBJKUQIEV-INIZCTEOSA-N 0 3 276.380 2.168 20 30 CEEDHN CCN(C)C(=O)CCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425541305 267050368 /nfs/dbraw/zinc/05/03/68/267050368.db2.gz WNGQXMJJNXGRJH-ZDUSSCGKSA-N 0 3 273.380 2.419 20 30 CEEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)CC(C)(C)C#N ZINC000362825423 267051324 /nfs/dbraw/zinc/05/13/24/267051324.db2.gz HDYZYNQCTSNPJV-LBPRGKRZSA-N 0 3 265.401 2.115 20 30 CEEDHN C#Cc1cccc(NC(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)c1 ZINC000367699787 267111416 /nfs/dbraw/zinc/11/14/16/267111416.db2.gz RTDGUAMEHRXFQH-GDBMZVCRSA-N 0 3 283.375 2.226 20 30 CEEDHN CCO[C@@H]1CCCC[C@H]1NCc1cc(C#N)n(C)c1 ZINC000449757514 267146316 /nfs/dbraw/zinc/14/63/16/267146316.db2.gz DHCUJFBLRHDHDD-HUUCEWRRSA-N 0 3 261.369 2.334 20 30 CEEDHN CCO[C@@H]1C[C@H](NCc2cccc(C#N)c2)[C@H]1n1cccn1 ZINC000521470317 267152686 /nfs/dbraw/zinc/15/26/86/267152686.db2.gz KOGPROMHEDJFSD-GVDBMIGSSA-N 0 3 296.374 2.263 20 30 CEEDHN CC[C@@H](C(=O)NCc1ccc(C#N)c(F)c1)N(CC)CC ZINC000456845350 267182934 /nfs/dbraw/zinc/18/29/34/267182934.db2.gz UGKQARHNDOLVGI-HNNXBMFYSA-N 0 3 291.370 2.434 20 30 CEEDHN C=C(C)CN1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000368870904 267210505 /nfs/dbraw/zinc/21/05/05/267210505.db2.gz UYMFHPDXBRSWIR-CYBMUJFWSA-N 0 3 250.342 2.458 20 30 CEEDHN C=CCN(C(=O)NC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368923597 267214366 /nfs/dbraw/zinc/21/43/66/267214366.db2.gz AENWABNUJGGKEJ-HNNXBMFYSA-N 0 3 273.380 2.088 20 30 CEEDHN C=CCC[C@@H](CCC)NCc1nnc2n1CCOC2 ZINC000368990894 267216124 /nfs/dbraw/zinc/21/61/24/267216124.db2.gz PPTITANHARVIFN-GFCCVEGCSA-N 0 3 264.373 2.033 20 30 CEEDHN CC[C@](C)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)OC ZINC000452742180 267237650 /nfs/dbraw/zinc/23/76/50/267237650.db2.gz QJDYUZHLGULFLH-DOTOQJQBSA-N 0 3 299.374 2.172 20 30 CEEDHN C#CC[C@H](C)NC(=O)N[C@H]1c2ccccc2CC[C@H]1N(C)C ZINC000369863250 267271864 /nfs/dbraw/zinc/27/18/64/267271864.db2.gz VSUSXUANEAQUDN-XKQJLSEDSA-N 0 3 299.418 2.315 20 30 CEEDHN CN(C)CC(C)(C)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000459545197 267278768 /nfs/dbraw/zinc/27/87/68/267278768.db2.gz GHBHVFCHIOWSCK-UHFFFAOYSA-N 0 3 299.378 2.038 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)/C=C/c1ccc(C#N)cc1 ZINC000492988079 267279299 /nfs/dbraw/zinc/27/92/99/267279299.db2.gz NUDGIFWCEKBYGV-MDZDMXLPSA-N 0 3 271.364 2.028 20 30 CEEDHN CN(C)CC(C)(C)NC(=O)CSc1ccc(C#N)cc1 ZINC000457210690 267279564 /nfs/dbraw/zinc/27/95/64/267279564.db2.gz PXMNOQXNXCOFCR-UHFFFAOYSA-N 0 3 291.420 2.107 20 30 CEEDHN CN(Cc1cccc(F)c1C#N)C[C@H]1CCCN1C ZINC000420995698 267319021 /nfs/dbraw/zinc/31/90/21/267319021.db2.gz IPWNLJXJNXRVMN-CYBMUJFWSA-N 0 3 261.344 2.223 20 30 CEEDHN C=C[C@@H](C)N[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000119336485 267323052 /nfs/dbraw/zinc/32/30/52/267323052.db2.gz AHWHPQOZRZJUNW-GHMZBOCLSA-N 0 3 268.382 2.283 20 30 CEEDHN CN1CC[C@@H]2CCN(C(=O)/C=C\c3cccc(C#N)c3)[C@H]2C1 ZINC000492399436 267339347 /nfs/dbraw/zinc/33/93/47/267339347.db2.gz OIYZTYVWVIRSFY-DJAVDHGHSA-N 0 3 295.386 2.124 20 30 CEEDHN COC(=O)[C@H]1CCN(Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000488978061 267384254 /nfs/dbraw/zinc/38/42/54/267384254.db2.gz KACCMKMXZBWJRE-CJNGLKHVSA-N 0 3 286.375 2.498 20 30 CEEDHN C[C@@H]1CC[C@@H](N(C)CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000429562923 267743270 /nfs/dbraw/zinc/74/32/70/267743270.db2.gz AARARHZSAVQOIZ-CZUORRHYSA-N 0 3 285.391 2.295 20 30 CEEDHN CN(C)c1noc([C@H]2CCCN(CCCCC#N)C2)n1 ZINC000374637380 267805483 /nfs/dbraw/zinc/80/54/83/267805483.db2.gz QUFHMNFSYWPNSG-LBPRGKRZSA-N 0 3 277.372 2.009 20 30 CEEDHN Cc1[nH]cnc1CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000516428808 268082028 /nfs/dbraw/zinc/08/20/28/268082028.db2.gz AURNTOXABJFDDF-OAHLLOKOSA-N 0 3 294.358 2.326 20 30 CEEDHN N#Cc1cnccc1NC[C@@H]1CCN1C1CCCCC1 ZINC000528118660 268169985 /nfs/dbraw/zinc/16/99/85/268169985.db2.gz RSPBKUCMWJVNCE-HNNXBMFYSA-N 0 3 270.380 2.194 20 30 CEEDHN N#Cc1cc(CN(CCO)[C@H]2CCCSC2)ccc1F ZINC000438993025 268180214 /nfs/dbraw/zinc/18/02/14/268180214.db2.gz ALICSLDDYZTBSM-AWEZNQCLSA-N 0 3 294.395 2.387 20 30 CEEDHN N#Cc1ccc(C2(NCCn3ccnc3)CCOCC2)cc1 ZINC000528779183 268211170 /nfs/dbraw/zinc/21/11/70/268211170.db2.gz RJOVHKQEAMOTQU-UHFFFAOYSA-N 0 3 296.374 2.050 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN[C@H]2CCC23CCCC3)cc1 ZINC000451451886 268226758 /nfs/dbraw/zinc/22/67/58/268226758.db2.gz BREQCZANDJUQDT-INIZCTEOSA-N 0 3 297.402 2.487 20 30 CEEDHN N#Cc1cccc(OCCN2CC3(CCC3)[C@H]3COC[C@@H]32)c1 ZINC000459713250 268284439 /nfs/dbraw/zinc/28/44/39/268284439.db2.gz KSOFCHWXLOXIEI-IRXDYDNUSA-N 0 3 298.386 2.438 20 30 CEEDHN C[C@H](NC[C@H]1CCN(C)C(=O)C1)c1ccc(C#N)cc1F ZINC000424325698 271045596 /nfs/dbraw/zinc/04/55/96/271045596.db2.gz MRRKXBMZMNOGQW-AAEUAGOBSA-N 0 3 289.354 2.216 20 30 CEEDHN CC(C)N(C)CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425130769 271125927 /nfs/dbraw/zinc/12/59/27/271125927.db2.gz OJPCOMAUFVMJCK-ZDUSSCGKSA-N 0 3 273.380 2.418 20 30 CEEDHN C[C@@H](CO)N1CCCN(c2cc(Cl)ccc2C#N)CC1 ZINC000364954653 274227214 /nfs/dbraw/zinc/22/72/14/274227214.db2.gz LOAMBXSDPQIIEB-LBPRGKRZSA-N 0 3 293.798 2.105 20 30 CEEDHN C[C@@H](Cn1ccnc1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353390914 274233175 /nfs/dbraw/zinc/23/31/75/274233175.db2.gz VRTVCAPKKRWDJN-BLLLJJGKSA-N 0 3 266.348 2.420 20 30 CEEDHN CCN1CCCC[C@@H]1CNC(=O)C#Cc1ccccc1 ZINC000081717642 276155337 /nfs/dbraw/zinc/15/53/37/276155337.db2.gz GUQRXPMKSGUVMG-MRXNPFEDSA-N 0 3 270.376 2.029 20 30 CEEDHN CCN1CCCC[C@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000333382719 276161055 /nfs/dbraw/zinc/16/10/55/276161055.db2.gz BJEQKBHVHOGBGN-YOEHRIQHSA-N 0 3 289.423 2.451 20 30 CEEDHN CCN1CCCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000265843298 276164980 /nfs/dbraw/zinc/16/49/80/276164980.db2.gz OCXFYJUUVUKVQG-UHFFFAOYSA-N 0 3 281.363 2.033 20 30 CEEDHN C#CCCN[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000276942958 276777371 /nfs/dbraw/zinc/77/73/71/276777371.db2.gz NQYHNXRDHAFZLR-ZFWWWQNUSA-N 0 3 276.767 2.225 20 30 CEEDHN C=CC1CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000335122108 276881850 /nfs/dbraw/zinc/88/18/50/276881850.db2.gz OLEBIPKDRRHAQB-CYBMUJFWSA-N 0 3 250.386 2.284 20 30 CEEDHN C=CCCO[C@H](C)C(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000346128076 276885583 /nfs/dbraw/zinc/88/55/83/276885583.db2.gz ITRSCEQJYYKCNQ-RBSFLKMASA-N 0 3 280.412 2.053 20 30 CEEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C#N)cc2)C1 ZINC000164619530 277157669 /nfs/dbraw/zinc/15/76/69/277157669.db2.gz WJJMAZPXACEMIN-HZPDHXFCSA-N 0 3 283.375 2.115 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)C(C)(C)C#N)C(C)C ZINC000112919922 277849940 /nfs/dbraw/zinc/84/99/40/277849940.db2.gz PRBXSPBGDVCTBW-CQSZACIVSA-N 0 3 277.412 2.351 20 30 CEEDHN CC(C)(C#N)CCN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000345731930 278257449 /nfs/dbraw/zinc/25/74/49/278257449.db2.gz IUAQZFAROQWJRG-VHSXEESVSA-N 0 3 264.291 2.314 20 30 CEEDHN C[C@@H](NCCN1CC=CCC1)c1ccc(C#N)cc1 ZINC000280859312 278346558 /nfs/dbraw/zinc/34/65/58/278346558.db2.gz CCCQWURPVOLMQS-CQSZACIVSA-N 0 3 255.365 2.471 20 30 CEEDHN COC[C@@H](NCc1ccc(C#N)cc1F)C(C)C ZINC000086700020 279696479 /nfs/dbraw/zinc/69/64/79/279696479.db2.gz VVDMXTZTFDCODH-CQSZACIVSA-N 0 3 250.317 2.458 20 30 CEEDHN C[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)[C@H]1C ZINC000246835974 280311507 /nfs/dbraw/zinc/31/15/07/280311507.db2.gz RUAFMBRUDSPVGR-RYUDHWBXSA-N 0 3 254.337 2.436 20 30 CEEDHN COC(=O)[C@H](C)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000249389702 280395158 /nfs/dbraw/zinc/39/51/58/280395158.db2.gz ZVEBKQZFXXCHFB-VXGBXAGGSA-N 0 3 260.337 2.360 20 30 CEEDHN Cc1cc(N[C@@H](C)CN(C)C)c(C#N)cc1[N+](=O)[O-] ZINC000413298774 280627712 /nfs/dbraw/zinc/62/77/12/280627712.db2.gz SVKQOYVZFXQPHJ-JTQLQIEISA-N 0 3 262.313 2.137 20 30 CEEDHN CN(C(=O)[C@@]1(C#N)CC12CCCC2)C1CCN(C)CC1 ZINC000336232506 281843839 /nfs/dbraw/zinc/84/38/39/281843839.db2.gz KHGXYJGOGIBJHK-INIZCTEOSA-N 0 3 275.396 2.013 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000348631081 288385486 /nfs/dbraw/zinc/38/54/86/288385486.db2.gz YJJBIFCGQGYEKX-NVXWUHKLSA-N 0 3 287.407 2.215 20 30 CEEDHN CC(C#N)C(=O)N1CCn2c(cc3ccccc32)C1 ZINC000336180577 289235825 /nfs/dbraw/zinc/23/58/25/289235825.db2.gz PSKKERBTBKQOFC-LLVKDONJSA-N 0 3 253.305 2.143 20 30 CEEDHN Cc1oc(NC(=O)CNC2(C3CC3)CC2)c(C#N)c1C ZINC000541595859 298281304 /nfs/dbraw/zinc/28/13/04/298281304.db2.gz TVNUIRLFFWNIEO-UHFFFAOYSA-N 0 3 273.336 2.239 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)CCN1C ZINC000542719122 298298994 /nfs/dbraw/zinc/29/89/94/298298994.db2.gz OXQZWXBZYBUZHN-ZWNOBZJWSA-N 0 3 291.782 2.424 20 30 CEEDHN CNC(=O)c1cccc(CCNCc2ccc(C#N)s2)c1 ZINC000176974216 312714539 /nfs/dbraw/zinc/71/45/39/312714539.db2.gz HWVVYFBZAIPOBJ-UHFFFAOYSA-N 0 3 299.399 2.312 20 30 CEEDHN Cn1cc(CN[C@@H]2COc3cc(F)ccc3C2)cc1C#N ZINC000569709316 314012579 /nfs/dbraw/zinc/01/25/79/314012579.db2.gz BAXZOTYFUQGVOA-AWEZNQCLSA-N 0 3 285.322 2.129 20 30 CEEDHN CC1(C)[C@@H](O)C[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000563363358 328059027 /nfs/dbraw/zinc/05/90/27/328059027.db2.gz JGEYSTLOSILKPG-KBPBESRZSA-N 0 3 263.768 2.441 20 30 CEEDHN COC(=O)[C@@]1(c2ccccc2)CCN([C@@H](C)CCC#N)C1 ZINC000411764474 328099174 /nfs/dbraw/zinc/09/91/74/328099174.db2.gz YGAZSSCBNKTUCM-YOEHRIQHSA-N 0 3 286.375 2.495 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000412089260 328103173 /nfs/dbraw/zinc/10/31/73/328103173.db2.gz YHHJZRBQEWGWGG-XQQFMLRXSA-N 0 3 282.428 2.249 20 30 CEEDHN C=CCC[C@@H](NCCNC(=O)C1CC1)c1ccco1 ZINC000353408092 328200570 /nfs/dbraw/zinc/20/05/70/328200570.db2.gz XZXUPEGMDXUDFQ-CYBMUJFWSA-N 0 3 262.353 2.403 20 30 CEEDHN C[C@H]1CC(C)(C)CN1Cc1cnc2c(C#N)cnn2c1 ZINC000580327250 322311161 /nfs/dbraw/zinc/31/11/61/322311161.db2.gz CTWAYLDWNNJJRV-NSHDSACASA-N 0 3 269.352 2.221 20 30 CEEDHN CN(C)[C@H]1CCOc2c(Nc3nccnc3C#N)cccc21 ZINC000580514648 322321982 /nfs/dbraw/zinc/32/19/82/322321982.db2.gz GRRWGWPRMXEHDO-AWEZNQCLSA-N 0 3 295.346 2.477 20 30 CEEDHN N#Cc1cccc(CC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000581106150 322369243 /nfs/dbraw/zinc/36/92/43/322369243.db2.gz PUTDZAJIEYPUKW-QGZVFWFLSA-N 0 3 297.402 2.234 20 30 CEEDHN C=CC[C@H](CO)CNCc1cc(F)c(F)cc1F ZINC000341259986 328405513 /nfs/dbraw/zinc/40/55/13/328405513.db2.gz MHGRLRSZMSXBGK-VIFPVBQESA-N 0 3 259.271 2.378 20 30 CEEDHN C=CCCOCCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415893830 328429819 /nfs/dbraw/zinc/42/98/19/328429819.db2.gz LBVHTQHTVJHQAO-UHFFFAOYSA-N 0 3 289.379 2.047 20 30 CEEDHN CC[C@H](CC(F)(F)F)N[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345115250 328563475 /nfs/dbraw/zinc/56/34/75/328563475.db2.gz SYESFWYVUPGZJL-NXEZZACHSA-N 0 3 291.317 2.258 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)CCCOC)C(C)C ZINC000299177241 326926412 /nfs/dbraw/zinc/92/64/12/326926412.db2.gz XPRATQKDBVIPOX-OAHLLOKOSA-N 0 3 282.428 2.228 20 30 CEEDHN N#CCC[C@H](C#N)CNC1CCN(c2ccccn2)CC1 ZINC000558750213 327118813 /nfs/dbraw/zinc/11/88/13/327118813.db2.gz CAJHLYUIKQVTFS-CQSZACIVSA-N 0 3 283.379 2.084 20 30 CEEDHN CCc1nnc([C@@H](C)[NH2+]C2CCC(C)(C#N)CC2)[n-]1 ZINC000449200823 327130670 /nfs/dbraw/zinc/13/06/70/327130670.db2.gz FPPSCSDLKUDCHX-CDWSIMAYSA-N 0 3 261.373 2.490 20 30 CEEDHN CCc1nnc([C@@H](C)NC2CCC(C)(C#N)CC2)[nH]1 ZINC000449200823 327130672 /nfs/dbraw/zinc/13/06/72/327130672.db2.gz FPPSCSDLKUDCHX-CDWSIMAYSA-N 0 3 261.373 2.490 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]1Cc1ccccc1 ZINC000076872465 327131285 /nfs/dbraw/zinc/13/12/85/327131285.db2.gz CATCHMICLBTUPU-QGZVFWFLSA-N 0 3 299.418 2.456 20 30 CEEDHN Cc1ccccc1OC[C@H](O)CNCC1(CC#N)CC1 ZINC000569449724 327179037 /nfs/dbraw/zinc/17/90/37/327179037.db2.gz PXTWCFBAGWJNEI-CQSZACIVSA-N 0 3 274.364 2.018 20 30 CEEDHN C=CCCCNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458733252 331258320 /nfs/dbraw/zinc/25/83/20/331258320.db2.gz SRRSFBLDBUQEIY-ZDUSSCGKSA-N 0 3 253.390 2.077 20 30 CEEDHN C=C(C)CN(C)C(=O)NC[C@@H]1CCCN1CCC ZINC000358279610 327243082 /nfs/dbraw/zinc/24/30/82/327243082.db2.gz SPTUGKVHQKXIKV-ZDUSSCGKSA-N 0 3 253.390 2.078 20 30 CEEDHN CCS[C@@H]1CCC[C@H]1N[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000560410592 327305284 /nfs/dbraw/zinc/30/52/84/327305284.db2.gz ZHQPCOUDYSXNSQ-JHJVBQTASA-N 0 3 295.452 2.201 20 30 CEEDHN CC[C@@H](C(=O)Nc1cc(CC#N)ccn1)N(CC)CC ZINC000532179744 328702398 /nfs/dbraw/zinc/70/23/98/328702398.db2.gz FUYIIWGDBYPKRK-ZDUSSCGKSA-N 0 3 274.368 2.207 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C2(CC)CCOCC2)CC1 ZINC000351956405 328741003 /nfs/dbraw/zinc/74/10/03/328741003.db2.gz NZJXOXFUSAYENC-UHFFFAOYSA-N 0 3 294.439 2.350 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1CCc2n[nH]cc2C1 ZINC000172342531 329083915 /nfs/dbraw/zinc/08/39/15/329083915.db2.gz CNQOCPVKPWUHGQ-OAHLLOKOSA-N 0 3 281.359 2.069 20 30 CEEDHN CN(C)Cc1ccc(CNC[C@H](C#N)CCC#N)cc1 ZINC000582681583 329127772 /nfs/dbraw/zinc/12/77/72/329127772.db2.gz FFYJQMSLFMWNDE-INIZCTEOSA-N 0 3 270.380 2.281 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC2(CCCC2)C1 ZINC000174266796 329156116 /nfs/dbraw/zinc/15/61/16/329156116.db2.gz MZZKAPBLKPITBW-ZDUSSCGKSA-N 0 3 263.385 2.013 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H]1C[C@@H](OCC)C1(CC)CC ZINC000178665741 329201843 /nfs/dbraw/zinc/20/18/43/329201843.db2.gz URYQXNOLLIOCCA-MELADBBJSA-N 0 3 282.428 2.251 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC000185331139 329270659 /nfs/dbraw/zinc/27/06/59/329270659.db2.gz KPAPTIUPAKJBAH-HUUCEWRRSA-N 0 3 264.413 2.435 20 30 CEEDHN Cc1ccc(NC(=O)CCNCC2(CC#N)CC2)nc1 ZINC000583140107 329320843 /nfs/dbraw/zinc/32/08/43/329320843.db2.gz NMDQMQWKQYGSCD-UHFFFAOYSA-N 0 3 272.352 2.002 20 30 CEEDHN C=CCC[C@@H](O)CN(Cc1cnn(C)c1)CC(C)C ZINC000459592486 329341439 /nfs/dbraw/zinc/34/14/39/329341439.db2.gz MSWKPEMJTVSZQY-OAHLLOKOSA-N 0 3 265.401 2.205 20 30 CEEDHN C#CCCCC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000192042311 329425406 /nfs/dbraw/zinc/42/54/06/329425406.db2.gz OFUGGUISUMSJCT-OAHLLOKOSA-N 0 3 262.397 2.267 20 30 CEEDHN Cc1nn(C)c(C)c1CNCc1ccc(CC#N)cc1 ZINC000399132564 329448858 /nfs/dbraw/zinc/44/88/58/329448858.db2.gz OPGGKYREHIOQCT-UHFFFAOYSA-N 0 3 268.364 2.393 20 30 CEEDHN C=C(C)CN1CCC(C(=O)Nc2cnn(CC)c2)CC1 ZINC000103470988 329534828 /nfs/dbraw/zinc/53/48/28/329534828.db2.gz BRRKUUGNBFXENT-UHFFFAOYSA-N 0 3 276.384 2.130 20 30 CEEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CC(C)(C)OC1(C)C ZINC000132500953 329647033 /nfs/dbraw/zinc/64/70/33/329647033.db2.gz FTLIPBGUENVMFT-CYBMUJFWSA-N 0 3 282.428 2.347 20 30 CEEDHN C=C(C)CCN[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000419219949 329712293 /nfs/dbraw/zinc/71/22/93/329712293.db2.gz IBXYHSYKAIWRNM-CYBMUJFWSA-N 0 3 266.772 2.292 20 30 CEEDHN C=C(C)CN1CCC(Nc2nnc(CC)c(CC)n2)CC1 ZINC000277226019 330115537 /nfs/dbraw/zinc/11/55/37/330115537.db2.gz MKWRKTDGFKKDJD-UHFFFAOYSA-N 0 3 289.427 2.449 20 30 CEEDHN C=CCCO[C@H](C)C(=O)NC[C@@H](N)c1ccccc1CC ZINC000423990356 330217500 /nfs/dbraw/zinc/21/75/00/330217500.db2.gz ZEGYIENCWXNRAZ-CZUORRHYSA-N 0 3 290.407 2.346 20 30 CEEDHN C=CCCCC(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000424038013 330217939 /nfs/dbraw/zinc/21/79/39/330217939.db2.gz KYPXNJGIZLWWDT-DZGCQCFKSA-N 0 3 276.355 2.435 20 30 CEEDHN C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424066465 330219250 /nfs/dbraw/zinc/21/92/50/330219250.db2.gz SXRBSLJHFXCTBK-FZMZJTMJSA-N 0 3 277.343 2.366 20 30 CEEDHN COc1ccc(Cl)cc1NC(=O)[C@H](N)CCCC#N ZINC000424074290 330220590 /nfs/dbraw/zinc/22/05/90/330220590.db2.gz GWRUNNGOMFZWFH-SNVBAGLBSA-N 0 3 281.743 2.308 20 30 CEEDHN CCc1ccc(CN(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424075551 330220870 /nfs/dbraw/zinc/22/08/70/330220870.db2.gz JPKJMXMTNZKJNR-HNNXBMFYSA-N 0 3 273.380 2.229 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc2[nH]ccc21 ZINC000424081371 330221990 /nfs/dbraw/zinc/22/19/90/330221990.db2.gz JVPRXOUGQNBCJV-LLVKDONJSA-N 0 3 256.309 2.128 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000424084098 330222684 /nfs/dbraw/zinc/22/26/84/330222684.db2.gz DLCGBENWDYXJPR-CABCVRRESA-N 0 3 271.364 2.024 20 30 CEEDHN CC(C)Oc1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424088579 330224423 /nfs/dbraw/zinc/22/44/23/330224423.db2.gz ULJPGBBDBGMHBG-HNNXBMFYSA-N 0 3 289.379 2.111 20 30 CEEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000424091020 330225250 /nfs/dbraw/zinc/22/52/50/330225250.db2.gz NAHNIKVPGAZUKG-ZDUSSCGKSA-N 0 3 284.319 2.301 20 30 CEEDHN CCOc1ccc(NC(=O)[C@@H](N)CCCC#N)c(C)c1 ZINC000424093006 330226200 /nfs/dbraw/zinc/22/62/00/330226200.db2.gz QGCUJMKQBUZANN-ZDUSSCGKSA-N 0 3 275.352 2.353 20 30 CEEDHN CO[C@H](C)c1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424116656 330243736 /nfs/dbraw/zinc/24/37/36/330243736.db2.gz XSGFNTPTLNKDNE-BXUZGUMPSA-N 0 3 275.352 2.354 20 30 CEEDHN C[C@@H]1CCC[C@@H](CCNC(=O)[C@H](N)CCCC#N)C1 ZINC000424121304 330251565 /nfs/dbraw/zinc/25/15/65/330251565.db2.gz FUKZRXIPKZNBIC-HZSPNIEDSA-N 0 3 265.401 2.340 20 30 CEEDHN CC(C)C[C@H]1CCCCN1C(=O)[C@H](N)CCCC#N ZINC000424130637 330261680 /nfs/dbraw/zinc/26/16/80/330261680.db2.gz UBWCAKNXAMUWSW-ZIAGYGMSSA-N 0 3 265.401 2.435 20 30 CEEDHN C[C@@H]1CCCC[C@H]1CCNC(=O)[C@H](N)CCCC#N ZINC000424134015 330266705 /nfs/dbraw/zinc/26/67/05/330266705.db2.gz HLBCNTHVUXRINU-HZSPNIEDSA-N 0 3 265.401 2.340 20 30 CEEDHN Cc1cnc([C@H](NC(=O)[C@@H](N)CCCC#N)C2CC2)s1 ZINC000424136761 330272672 /nfs/dbraw/zinc/27/26/72/330272672.db2.gz BFATYRULYAWLTQ-NWDGAFQWSA-N 0 3 292.408 2.040 20 30 CEEDHN N#CCCC[C@H](N)C(=O)NCCCn1ccc2ccccc21 ZINC000424138351 330276533 /nfs/dbraw/zinc/27/65/33/330276533.db2.gz QBOADEKQZZHWAR-HNNXBMFYSA-N 0 3 298.390 2.169 20 30 CEEDHN CC[C@H](C)[C@@H](C)N(C(=O)[C@H](N)CCCC#N)C1CC1 ZINC000424146741 330293387 /nfs/dbraw/zinc/29/33/87/330293387.db2.gz XDEOIZQNTYMILR-OUCADQQQSA-N 0 3 265.401 2.433 20 30 CEEDHN C[S@](=O)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424197308 330325760 /nfs/dbraw/zinc/32/57/60/330325760.db2.gz OAZJKZWYKAAONX-JCGVRSQUSA-N 0 3 262.378 2.206 20 30 CEEDHN C=CCOc1ccc(CNCCC(=O)NCCC)cc1 ZINC000044351555 330329368 /nfs/dbraw/zinc/32/93/68/330329368.db2.gz GBAVBRPLLQMMQY-UHFFFAOYSA-N 0 3 276.380 2.257 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](c1nccn1C)C1CC1 ZINC000424292319 330335105 /nfs/dbraw/zinc/33/51/05/330335105.db2.gz GLNZGYCHNADSLN-IHRRRGAJSA-N 0 3 261.369 2.052 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(CC1CC1)C(C)C ZINC000533351764 330359337 /nfs/dbraw/zinc/35/93/37/330359337.db2.gz GBXUTDXOQYAPIK-ZDUSSCGKSA-N 0 3 265.401 2.115 20 30 CEEDHN C=CCCn1cc(C(=O)Nc2cccc(CN(C)C)c2)nn1 ZINC000424581142 330387396 /nfs/dbraw/zinc/38/73/96/330387396.db2.gz GJMKXLYXRUXWFC-UHFFFAOYSA-N 0 3 299.378 2.168 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2CC)CC1 ZINC000437740508 330707430 /nfs/dbraw/zinc/70/74/30/330707430.db2.gz YPLZIIMGEWPUSE-TZMCWYRMSA-N 0 3 265.401 2.125 20 30 CEEDHN C=CCN(CCOC)C[C@H](O)[C@H](C)c1ccccc1 ZINC000450835819 331001857 /nfs/dbraw/zinc/00/18/57/331001857.db2.gz HZPQXLCCWYEYFE-ZBFHGGJFSA-N 0 3 263.381 2.285 20 30 CEEDHN C=CCN(CCOC)C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000451140227 331017211 /nfs/dbraw/zinc/01/72/11/331017211.db2.gz BVNXTLHMMITBOD-INIZCTEOSA-N 0 3 294.439 2.445 20 30 CEEDHN COC(=O)[C@@H]1CCCC[C@@H]1NCC#Cc1ccccc1 ZINC000451596830 331035571 /nfs/dbraw/zinc/03/55/71/331035571.db2.gz ZBRXCZQJYCOKKI-CVEARBPZSA-N 0 3 271.360 2.360 20 30 CEEDHN C=C(C)CN(CCC(N)=O)[C@H]1CCOc2ccccc21 ZINC000451717054 331040039 /nfs/dbraw/zinc/04/00/39/331040039.db2.gz SIWNAKUSZTXBQN-AWEZNQCLSA-N 0 3 274.364 2.264 20 30 CEEDHN C=CC(C)(C)CNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000451807447 331043079 /nfs/dbraw/zinc/04/30/79/331043079.db2.gz BGYUKBPWMYIJIZ-UHFFFAOYSA-N 0 3 296.436 2.239 20 30 CEEDHN CC[C@@H]1CC[C@H](C)N(CC(=O)NC2(C#N)CCC2)C1 ZINC000451956964 331048314 /nfs/dbraw/zinc/04/83/14/331048314.db2.gz SRACEVLUKXBYGY-QWHCGFSZSA-N 0 3 263.385 2.059 20 30 CEEDHN CC(C)[C@](C)(C#N)NC(=O)CN1[C@H](C)CCC1(C)C ZINC000452000075 331049810 /nfs/dbraw/zinc/04/98/10/331049810.db2.gz BNNMUKGJPQWMOK-DOMZBBRYSA-N 0 3 265.401 2.304 20 30 CEEDHN C[C@@H](N[C@@H]1CCC[C@@H](C#N)C1)C(=O)NCCc1ccccc1 ZINC000453421914 331130828 /nfs/dbraw/zinc/13/08/28/331130828.db2.gz ZNEPZBQQHWNDKN-DJIMGWMZSA-N 0 3 299.418 2.406 20 30 CEEDHN C=C(C)CCNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000454492264 331147350 /nfs/dbraw/zinc/14/73/50/331147350.db2.gz YAMAJTHFEZLDQQ-UHFFFAOYSA-N 0 3 297.443 2.141 20 30 CEEDHN CO[C@H](C)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000456130564 331185205 /nfs/dbraw/zinc/18/52/05/331185205.db2.gz COWWSGSERIDBKY-UKRRQHHQSA-N 0 3 274.364 2.300 20 30 CEEDHN CC[C@H](O)[C@H](CC)NC(=O)C(C#N)CCc1ccccc1 ZINC000456660461 331198561 /nfs/dbraw/zinc/19/85/61/331198561.db2.gz JHJMSDJYVWODMS-JYJNAYRXSA-N 0 3 288.391 2.425 20 30 CEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCN(C2CC2)CC1 ZINC000457392706 331221019 /nfs/dbraw/zinc/22/10/19/331221019.db2.gz BTTVGZUGEUWRJQ-HOTGVXAUSA-N 0 3 292.423 2.101 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000457435928 331222932 /nfs/dbraw/zinc/22/29/32/331222932.db2.gz GPQPFLZETCWBGM-ARFHVFGLSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)[C@H]1OCCC[C@H]1C(=O)NCCN1CCCC[C@H]1C ZINC000457459164 331223603 /nfs/dbraw/zinc/22/36/03/331223603.db2.gz PUZDCPMRVGFIJX-BZUAXINKSA-N 0 3 294.439 2.348 20 30 CEEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCN1CCCC1(C)C ZINC000457849941 331236528 /nfs/dbraw/zinc/23/65/28/331236528.db2.gz SSDHBKRWKMKZQA-GJZGRUSLSA-N 0 3 294.439 2.348 20 30 CEEDHN CC[C@@H]1OCC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000458282691 331247297 /nfs/dbraw/zinc/24/72/97/331247297.db2.gz FLJSLUNPNVAGOZ-OAGGEKHMSA-N 0 3 286.375 2.443 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@@H]2C[C@H]1CS2 ZINC000458334458 331249228 /nfs/dbraw/zinc/24/92/28/331249228.db2.gz OIKQQCYNEMWLHJ-ILXRZTDVSA-N 0 3 286.400 2.475 20 30 CEEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)NCC(C)(C)CC#N ZINC000458344621 331249572 /nfs/dbraw/zinc/24/95/72/331249572.db2.gz QFGLOKQNEVKJJH-OKILXGFUSA-N 0 3 294.443 2.488 20 30 CEEDHN CC#CCN(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000458572592 331253216 /nfs/dbraw/zinc/25/32/16/331253216.db2.gz HDVHFZUGBVPOFQ-JKSUJKDBSA-N 0 3 285.391 2.097 20 30 CEEDHN C=C(CC)CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000459104673 331270526 /nfs/dbraw/zinc/27/05/26/331270526.db2.gz VOLOMAHAOAFFCG-RRFJBIMHSA-N 0 3 279.428 2.324 20 30 CEEDHN CCN1CCC[C@H]1CN(C)C(=O)NCC(C)(C)CC#N ZINC000459264651 331274094 /nfs/dbraw/zinc/27/40/94/331274094.db2.gz ZOLYPLATKVWUBG-ZDUSSCGKSA-N 0 3 280.416 2.052 20 30 CEEDHN C[C@@H]1[C@@H](CO)CCN1CC#Cc1cccc(Cl)c1 ZINC000488761095 332024569 /nfs/dbraw/zinc/02/45/69/332024569.db2.gz NIEOXYXBKSJKQM-TZMCWYRMSA-N 0 3 263.768 2.394 20 30 CEEDHN C=CCn1cccc1C(=O)N(CCN(C)C)CC(C)C ZINC000489043669 332039175 /nfs/dbraw/zinc/03/91/75/332039175.db2.gz RFYNFVOKAVXTPV-UHFFFAOYSA-N 0 3 277.412 2.334 20 30 CEEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1cccnc1 ZINC000489435809 332052441 /nfs/dbraw/zinc/05/24/41/332052441.db2.gz MSIZEHOJKLJZAT-CQSZACIVSA-N 0 3 259.353 2.451 20 30 CEEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1ccccc1 ZINC000489519775 332058175 /nfs/dbraw/zinc/05/81/75/332058175.db2.gz YHLZVDKOJLIAHL-GJZGRUSLSA-N 0 3 261.365 2.467 20 30 CEEDHN C#CCN1CCC(C(=O)NCc2cc3ccccc3o2)CC1 ZINC000490574424 332092690 /nfs/dbraw/zinc/09/26/90/332092690.db2.gz VUOQMGUFCACDPM-UHFFFAOYSA-N 0 3 296.370 2.394 20 30 CEEDHN C#CCNC(=O)CCNC(C)(C)c1cccc(Cl)c1 ZINC000491203538 332165612 /nfs/dbraw/zinc/16/56/12/332165612.db2.gz XHXLINFSDVHVJA-UHFFFAOYSA-N 0 3 278.783 2.304 20 30 CEEDHN C#CCN(CCC(C)(C)CC(=O)OCC)C1CC1 ZINC000491219736 332168182 /nfs/dbraw/zinc/16/81/82/332168182.db2.gz HCESTYKKMIOCHZ-UHFFFAOYSA-N 0 3 251.370 2.454 20 30 CEEDHN C#CCN(C)CCCNC(=O)CCCc1ccc(C)cc1 ZINC000491351913 332195600 /nfs/dbraw/zinc/19/56/00/332195600.db2.gz WNEKHDPLXFZVCS-UHFFFAOYSA-N 0 3 286.419 2.389 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000491427694 332209902 /nfs/dbraw/zinc/20/99/02/332209902.db2.gz LQJUXLIBENQPNO-NVXWUHKLSA-N 0 3 296.414 2.394 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000491440556 332212047 /nfs/dbraw/zinc/21/20/47/332212047.db2.gz PLUGCYDSJMTMGC-DOTOQJQBSA-N 0 3 299.418 2.172 20 30 CEEDHN C#C[C@@H](N[C@@H]1CCN(CCOC)C1)c1ccc(Cl)cc1 ZINC000491484410 332219670 /nfs/dbraw/zinc/21/96/70/332219670.db2.gz ITWRJAWLPSCKDF-HZPDHXFCSA-N 0 3 292.810 2.325 20 30 CEEDHN C#CCN1CCC(C(=O)NC(C)(C)C2CCC2)CC1 ZINC000491514545 332226867 /nfs/dbraw/zinc/22/68/67/332226867.db2.gz IQLJBMSGZIHNII-UHFFFAOYSA-N 0 3 262.397 2.027 20 30 CEEDHN C#C[C@@H](C)N(C)C(=O)NCCCN(C)Cc1ccccc1 ZINC000491616975 332243971 /nfs/dbraw/zinc/24/39/71/332243971.db2.gz ATTIRQVUWPRVPJ-OAHLLOKOSA-N 0 3 287.407 2.172 20 30 CEEDHN C#C[C@@H](NC(=O)C1CCN(C2CC2)CC1)C(C)(C)C ZINC000491627949 332251149 /nfs/dbraw/zinc/25/11/49/332251149.db2.gz KFHLGMJKBYTJDP-CQSZACIVSA-N 0 3 262.397 2.025 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000491639365 332259578 /nfs/dbraw/zinc/25/95/78/332259578.db2.gz WTSKVLIDQKAADM-IHRRRGAJSA-N 0 3 291.395 2.372 20 30 CEEDHN C#C[C@H](C)N(C)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000491650713 332264475 /nfs/dbraw/zinc/26/44/75/332264475.db2.gz BIDGYQIEPVZWSF-WOSRLPQWSA-N 0 3 278.396 2.197 20 30 CEEDHN C#CCNC(=O)CCN[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000491658593 332269530 /nfs/dbraw/zinc/26/95/30/332269530.db2.gz LZKOADAMTNLTOB-SJKOYZFVSA-N 0 3 288.366 2.178 20 30 CEEDHN C#C[C@H](C)N(C)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000491660091 332270608 /nfs/dbraw/zinc/27/06/08/332270608.db2.gz NFKFTLACJZNAFA-QILLFSRXSA-N 0 3 287.403 2.395 20 30 CEEDHN C#CCN(CC)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000491664177 332273135 /nfs/dbraw/zinc/27/31/35/332273135.db2.gz QLXKRQYLJMBQSA-OAHLLOKOSA-N 0 3 262.397 2.265 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H](C(C)C)C1 ZINC000491692966 332289470 /nfs/dbraw/zinc/28/94/70/332289470.db2.gz CCOVIKUUISCUAX-HNNXBMFYSA-N 0 3 279.428 2.019 20 30 CEEDHN C#C[C@H](CC)NC(=O)NCCCN1CCc2ccccc2C1 ZINC000491693704 332289878 /nfs/dbraw/zinc/28/98/78/332289878.db2.gz DFZPOURNKDOWNY-QGZVFWFLSA-N 0 3 299.418 2.146 20 30 CEEDHN C#C[C@H](CC)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000491733357 332314655 /nfs/dbraw/zinc/31/46/55/332314655.db2.gz NYFVPVRBBUYQAV-QGZVFWFLSA-N 0 3 299.418 2.316 20 30 CEEDHN C#C[C@H](CCC)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000491772460 332338774 /nfs/dbraw/zinc/33/87/74/332338774.db2.gz AHXOHUCADIEYII-KFWWJZLASA-N 0 3 285.343 2.209 20 30 CEEDHN C=C(C)CN1CCC(Nc2nccc3c2nc[nH]c3=O)CC1 ZINC000516583469 332636608 /nfs/dbraw/zinc/63/66/08/332636608.db2.gz BUGIHRVSLPEXOQ-UHFFFAOYSA-N 0 3 299.378 2.183 20 30 CEEDHN C#CCN[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000193195735 333245020 /nfs/dbraw/zinc/24/50/20/333245020.db2.gz NCOJSRAYRZXNNG-ZDUSSCGKSA-N 0 3 266.385 2.293 20 30 CEEDHN C=CC1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000237796990 333381391 /nfs/dbraw/zinc/38/13/91/333381391.db2.gz XJFIWQLEGGTJBR-HNNXBMFYSA-N 0 3 258.365 2.154 20 30 CEEDHN C=CCOc1ccccc1CNCC[C@H](C)[S@@](C)=O ZINC000129381998 333759501 /nfs/dbraw/zinc/75/95/01/333759501.db2.gz ZELMYKOOLQZANB-DJJJIMSYSA-N 0 3 281.421 2.498 20 30 CEEDHN C[C@@H](C#N)CNC1CCN(C(=O)CC(C)(C)C)CC1 ZINC000541763648 333790628 /nfs/dbraw/zinc/79/06/28/333790628.db2.gz RDCVKTSGWHTSSD-LBPRGKRZSA-N 0 3 265.401 2.163 20 30 CEEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1cc(CC#N)ccn1 ZINC000548131255 334141456 /nfs/dbraw/zinc/14/14/56/334141456.db2.gz YBYZLXCMYXRXBQ-LLVKDONJSA-N 0 3 274.368 2.253 20 30 CEEDHN C=CCCCCCNC(=O)N(C)CCN1CCCC1 ZINC000564342873 334144442 /nfs/dbraw/zinc/14/44/42/334144442.db2.gz IFRRNLHUVZXUAQ-UHFFFAOYSA-N 0 3 267.417 2.470 20 30 CEEDHN CC[C@@H](C)CN(CC)CC(=O)N(CC)C[C@H](C)C#N ZINC000248359051 334299036 /nfs/dbraw/zinc/29/90/36/334299036.db2.gz RMXAKVLSOHVMQF-ZIAGYGMSSA-N 0 3 267.417 2.363 20 30 CEEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)[C@H]1C ZINC000248372229 334299449 /nfs/dbraw/zinc/29/94/49/334299449.db2.gz ZREZFEZFQBEYIZ-MGPQQGTHSA-N 0 3 277.412 2.448 20 30 CEEDHN C[C@H](C#N)CN[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248609066 334308721 /nfs/dbraw/zinc/30/87/21/334308721.db2.gz KLPQSJYASAHCCM-FMKPAKJESA-N 0 3 257.381 2.256 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@](CC)(CO)C1 ZINC000249588053 334337481 /nfs/dbraw/zinc/33/74/81/334337481.db2.gz UNOZYRSTEZERRL-WBVHZDCISA-N 0 3 294.439 2.060 20 30 CEEDHN C=CCc1cc(CN2CC[C@@H](O)[C@H](C)C2)cc(OC)c1O ZINC000249768212 334340269 /nfs/dbraw/zinc/34/02/69/334340269.db2.gz BFLYIRCSVSZXDP-IUODEOHRSA-N 0 3 291.391 2.332 20 30 CEEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000555332954 334474885 /nfs/dbraw/zinc/47/48/85/334474885.db2.gz SJEHNKKSGJLZDU-IIAWOOMASA-N 0 3 283.375 2.464 20 30 CEEDHN CC(=O)c1ccc(NC(=O)[C@H](N)CCCC#N)cc1C ZINC000567383761 334711272 /nfs/dbraw/zinc/71/12/72/334711272.db2.gz YNXBWOYOYGTAKX-CQSZACIVSA-N 0 3 273.336 2.157 20 30 CEEDHN Cc1ccc(-c2ncc[nH]2)cc1NC(=O)[C@@H](N)CCCC#N ZINC000577175584 335316001 /nfs/dbraw/zinc/31/60/01/335316001.db2.gz CMPNFXXQQFGXJG-ZDUSSCGKSA-N 0 3 297.362 2.345 20 30 CEEDHN N#CCCNCC1CCN(C(=O)c2ccccc2)CC1 ZINC000577722834 335392371 /nfs/dbraw/zinc/39/23/71/335392371.db2.gz ZOCROIKIRZNVNV-UHFFFAOYSA-N 0 3 271.364 2.042 20 30 CEEDHN N#C[C@@]1(C(=O)N2CC[C@H](N3CCCC3)C2)CC12CCCC2 ZINC000577971842 335444333 /nfs/dbraw/zinc/44/43/33/335444333.db2.gz HTDGUZDVQCLEGV-WMLDXEAASA-N 0 3 287.407 2.157 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](F)C2)CC1 ZINC000580837655 335973716 /nfs/dbraw/zinc/97/37/16/335973716.db2.gz VUOIBCHMRGFZPR-CYBMUJFWSA-N 0 3 283.391 2.170 20 30 CEEDHN C#CCN(C)CCCNC(=O)C(CCC)CCC ZINC000385510040 336150560 /nfs/dbraw/zinc/15/05/60/336150560.db2.gz ARHAAONSQWCBAH-UHFFFAOYSA-N 0 3 252.402 2.274 20 30 CEEDHN C=CCC[C@@H](NCc1nnc2n1CCCC2)C1CC1 ZINC000183863355 518713258 /nfs/dbraw/zinc/71/32/58/518713258.db2.gz KPTLVHQPEUBFKV-CYBMUJFWSA-N 0 3 260.385 2.449 20 30 CEEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccon1)C(C)C ZINC000183527860 518772889 /nfs/dbraw/zinc/77/28/89/518772889.db2.gz AYJMRKNUTLLFJY-ZDUSSCGKSA-N 0 3 292.383 2.495 20 30 CEEDHN C=CC[C@@H](CO)NCc1ccc(OC)c(OC)c1Cl ZINC000184264586 519104294 /nfs/dbraw/zinc/10/42/94/519104294.db2.gz TXKALZNNOFXJOX-NSHDSACASA-N 0 3 285.771 2.384 20 30 CEEDHN C=CC[C@H](CO)NCc1cc2cc(OC)ccc2o1 ZINC000184279175 519117704 /nfs/dbraw/zinc/11/77/04/519117704.db2.gz JAQAGIULXHGJDR-GFCCVEGCSA-N 0 3 261.321 2.468 20 30 CEEDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357534855 534453993 /nfs/dbraw/zinc/45/39/93/534453993.db2.gz RFKKZVDNZQZRAO-QMTHXVAHSA-N 0 3 286.335 2.361 20 30 CEEDHN Cc1noc([C@H]2CCN(Cc3ccc(CC#N)cc3)C2)n1 ZINC000332132045 534482956 /nfs/dbraw/zinc/48/29/56/534482956.db2.gz FBYBJUURRPIPKZ-HNNXBMFYSA-N 0 3 282.347 2.434 20 30 CEEDHN CCN1CCC(N(C)C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000070159203 521553979 /nfs/dbraw/zinc/55/39/79/521553979.db2.gz FRAYVPFCAYZWOA-UHFFFAOYSA-N 0 3 285.391 2.043 20 30 CEEDHN CN(Cc1ccc(C#N)o1)C1CCN(c2cnccn2)CC1 ZINC000366023066 523212271 /nfs/dbraw/zinc/21/22/71/523212271.db2.gz HYSAYMJMHJJBEC-UHFFFAOYSA-N 0 3 297.362 2.042 20 30 CEEDHN O=C(N[C@@H]1CCn2ccnc2C1)N[C@@H]1CCCC(F)(F)C1 ZINC000330282486 534763806 /nfs/dbraw/zinc/76/38/06/534763806.db2.gz VIQPKWNRRWVRLG-GHMZBOCLSA-N 0 3 298.337 2.279 20 30 CEEDHN Cc1c([C@H](C)NCCOc2cccc(C#N)c2)cnn1C ZINC000183304657 525918734 /nfs/dbraw/zinc/91/87/34/525918734.db2.gz KYYZNINJPLAWIC-LBPRGKRZSA-N 0 3 284.363 2.330 20 30 CEEDHN CC(C)(C)OC(=O)CCNCc1ccc(C#N)cc1 ZINC000174433363 526360110 /nfs/dbraw/zinc/36/01/10/526360110.db2.gz FPZUFJBVKWDRSQ-UHFFFAOYSA-N 0 3 260.337 2.380 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC(C3CCC3)C2)CC1 ZINC000352849507 526426093 /nfs/dbraw/zinc/42/60/93/526426093.db2.gz AZLNBWBKMWFILU-UHFFFAOYSA-N 0 3 277.412 2.078 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C)C2)CC1 ZINC000336618887 526586640 /nfs/dbraw/zinc/58/66/40/526586640.db2.gz RZMBDAVPSPOBCR-CYBMUJFWSA-N 0 3 265.401 2.078 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CSC[C@@H]2C)CC1 ZINC000344829246 526595912 /nfs/dbraw/zinc/59/59/12/526595912.db2.gz NNDJHHZHHBXOPG-JSGCOSHPSA-N 0 3 297.468 2.078 20 30 CEEDHN N#Cc1ccc(CNCC2(CO)CCCC2)s1 ZINC000161133764 526621803 /nfs/dbraw/zinc/62/18/03/526621803.db2.gz IHCAYISIVDAQDL-UHFFFAOYSA-N 0 3 250.367 2.262 20 30 CEEDHN N#Cc1ccc(OCCN2CC[C@@H](n3cccn3)C2)cc1 ZINC000365829480 526673846 /nfs/dbraw/zinc/67/38/46/526673846.db2.gz AFXWRSMHDVZLQL-OAHLLOKOSA-N 0 3 282.347 2.081 20 30 CEEDHN N#Cc1cccc(OCCN2CCc3cc[nH]c(=O)c3C2)c1 ZINC000365193837 526728369 /nfs/dbraw/zinc/72/83/69/526728369.db2.gz WLXIFQJHIUTAKN-UHFFFAOYSA-N 0 3 295.342 2.096 20 30 CEEDHN C#CCCN1C[C@H](C(=O)OC)C[C@@H](c2ccccc2)C1 ZINC000366881265 526730260 /nfs/dbraw/zinc/73/02/60/526730260.db2.gz PLPMPOOYMHQHGR-HZPDHXFCSA-N 0 3 271.360 2.288 20 30 CEEDHN C=C(CNC(=O)N[C@H]1CCCN(C)[C@@H]1C)c1ccccc1 ZINC000355074340 526875100 /nfs/dbraw/zinc/87/51/00/526875100.db2.gz CELXAHQURFLPQD-ZBFHGGJFSA-N 0 3 287.407 2.482 20 30 CEEDHN CC(C)(CCC#N)CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352262320 527000802 /nfs/dbraw/zinc/00/08/02/527000802.db2.gz FZNMIVBQSDLJEY-CQSZACIVSA-N 0 3 284.363 2.004 20 30 CEEDHN C#CCOc1ccc(CN[C@H](C)[C@@H]2CCCO2)cc1 ZINC000113321110 527106839 /nfs/dbraw/zinc/10/68/39/527106839.db2.gz GEFNLMFVPUQOKE-CJNGLKHVSA-N 0 3 259.349 2.356 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000344335841 527156658 /nfs/dbraw/zinc/15/66/58/527156658.db2.gz SDRRGVOMHFEUKT-FRRDWIJNSA-N 0 3 265.401 2.266 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000344324734 527157885 /nfs/dbraw/zinc/15/78/85/527157885.db2.gz HGIOHINLZDCUPO-DYEKYZERSA-N 0 3 265.401 2.123 20 30 CEEDHN C=CCn1c(C2CC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000350805337 527306590 /nfs/dbraw/zinc/30/65/90/527306590.db2.gz ZTSJTOFOLBMIEO-OLZOCXBDSA-N 0 3 289.427 2.260 20 30 CEEDHN C=CCC[C@H](NCc1ccnc(N(C)C)n1)C1CC1 ZINC000344290011 527485939 /nfs/dbraw/zinc/48/59/39/527485939.db2.gz LUFNZWOACZZYAJ-AWEZNQCLSA-N 0 3 260.385 2.377 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)NOC(C)C)C(C)C ZINC000297009156 527649822 /nfs/dbraw/zinc/64/98/22/527649822.db2.gz HHOBJWFIRAJAFF-CQSZACIVSA-N 0 3 283.416 2.324 20 30 CEEDHN CC(C)COc1cccc(CNC(=O)C(C)C#N)c1 ZINC000347084938 528172147 /nfs/dbraw/zinc/17/21/47/528172147.db2.gz ZQDZOKKWAVTERN-GFCCVEGCSA-N 0 3 260.337 2.497 20 30 CEEDHN CC(C)[C@@H](CO)CNCc1ccc(C#N)c(F)c1 ZINC000404223131 528472821 /nfs/dbraw/zinc/47/28/21/528472821.db2.gz MCWWWOVBDLJZNK-CYBMUJFWSA-N 0 3 250.317 2.051 20 30 CEEDHN CCN(CCOc1ccccc1C#N)C[C@@H]1CCCO1 ZINC000048954068 528573339 /nfs/dbraw/zinc/57/33/39/528573339.db2.gz XAYOTBRJSCTJFY-HNNXBMFYSA-N 0 3 274.364 2.438 20 30 CEEDHN CC(C)[C@H](C)N(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000332430091 528958296 /nfs/dbraw/zinc/95/82/96/528958296.db2.gz AMTODXGWBGIZGB-GXTWGEPZSA-N 0 3 253.390 2.017 20 30 CEEDHN CCN1CCC[C@@H](NC(=O)Cn2cc3ccccc3n2)C1 ZINC000330158349 529046426 /nfs/dbraw/zinc/04/64/26/529046426.db2.gz PYOMSVXDQCGIEB-CQSZACIVSA-N 0 3 286.379 2.477 20 30 CEEDHN CC(C)N1CC[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000357178456 529070611 /nfs/dbraw/zinc/07/06/11/529070611.db2.gz XKKLOMQWCFZZNK-CYBMUJFWSA-N 0 3 274.324 2.361 20 30 CEEDHN CC[C@H](CC#N)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000332365681 529299367 /nfs/dbraw/zinc/29/93/67/529299367.db2.gz KNATWNPOOCUCAM-TZMCWYRMSA-N 0 3 263.385 2.202 20 30 CEEDHN CC[C@H]1CN(c2ccccc2)CCN1C(=O)C(C)C#N ZINC000336574155 529301645 /nfs/dbraw/zinc/30/16/45/529301645.db2.gz PEVVOGYOJIEKJR-KBPBESRZSA-N 0 3 271.364 2.273 20 30 CEEDHN CC[C@](C)(C#N)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000352247348 529349242 /nfs/dbraw/zinc/34/92/42/529349242.db2.gz XUFCOBNHKDSNRV-KCQAQPDRSA-N 0 3 265.401 2.305 20 30 CEEDHN CN(C)[C@@H](CNc1nccnc1C#N)c1ccc(F)cc1 ZINC000263734876 536131564 /nfs/dbraw/zinc/13/15/64/536131564.db2.gz CRXGDGAJOWWLNE-AWEZNQCLSA-N 0 3 285.326 2.202 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cn1 ZINC000728814279 574470934 /nfs/dbraw/zinc/47/09/34/574470934.db2.gz YTRMATBOYFNLQO-UONOGXRCSA-N 0 3 285.391 2.056 20 30 CEEDHN C#Cc1ccc(C(=O)N(CCN(C)C)C2CCCC2)cn1 ZINC000728982608 574474313 /nfs/dbraw/zinc/47/43/13/574474313.db2.gz JCDUUOPSIDNQPO-UHFFFAOYSA-N 0 3 285.391 2.009 20 30 CEEDHN COC(=O)C[C@@H](NCc1ccc(C#N)cc1F)C1CC1 ZINC000754516269 574585573 /nfs/dbraw/zinc/58/55/73/574585573.db2.gz JUIRSYXHDXCOIZ-CQSZACIVSA-N 0 3 276.311 2.129 20 30 CEEDHN C=CCNC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847424 574603678 /nfs/dbraw/zinc/60/36/78/574603678.db2.gz KMYDCBXLWOKWNX-UHFFFAOYSA-N 0 3 288.391 2.439 20 30 CEEDHN C=CCNC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000731847424 574603679 /nfs/dbraw/zinc/60/36/79/574603679.db2.gz KMYDCBXLWOKWNX-UHFFFAOYSA-N 0 3 288.391 2.439 20 30 CEEDHN CN(C(=O)/C=C/c1ccccc1C#N)[C@H]1CN2CCC1CC2 ZINC000732160398 574614122 /nfs/dbraw/zinc/61/41/22/574614122.db2.gz PGTFRJCGJKMVHL-LXXRFIIISA-N 0 3 295.386 2.124 20 30 CEEDHN C#C[C@H](CC)NC(=O)NC[C@@H](C(C)C)N(CC=C)CC=C ZINC000753272220 575323355 /nfs/dbraw/zinc/32/33/55/575323355.db2.gz IEFYESUPCNKFBS-CVEARBPZSA-N 0 3 291.439 2.396 20 30 CEEDHN C#CCOCCN[C@@H](C)c1cc(OC)ccc1OC ZINC000753765186 575340405 /nfs/dbraw/zinc/34/04/05/575340405.db2.gz ADSVJNARIVWYCJ-LBPRGKRZSA-N 0 3 263.337 2.004 20 30 CEEDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)C#N ZINC000733892609 574691617 /nfs/dbraw/zinc/69/16/17/574691617.db2.gz PZYDFWZIZZYVSU-GFCCVEGCSA-N 0 3 259.353 2.261 20 30 CEEDHN C=CC[C@H](NC(=O)N[C@H]1CCCN(C)C1)c1ccncc1 ZINC000734661271 574724537 /nfs/dbraw/zinc/72/45/37/574724537.db2.gz LAHZXGVFLPZPGS-GJZGRUSLSA-N 0 3 288.395 2.092 20 30 CEEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)n1cccc1 ZINC000735208175 574747827 /nfs/dbraw/zinc/74/78/27/574747827.db2.gz XCTJAGYOVGKHMD-OLZOCXBDSA-N 0 3 296.330 2.182 20 30 CEEDHN C=C(Cl)CNC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000736399086 574786283 /nfs/dbraw/zinc/78/62/83/574786283.db2.gz QGFZZDJMOFKCPM-VXGBXAGGSA-N 0 3 273.808 2.301 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000736674777 574794219 /nfs/dbraw/zinc/79/42/19/574794219.db2.gz TVDAPTVKYZNDKD-LDYMZIIASA-N 0 3 286.253 2.015 20 30 CEEDHN CCCCCCCNCc1ccc(S(N)(=O)=O)s1 ZINC000740873862 574970806 /nfs/dbraw/zinc/97/08/06/574970806.db2.gz JXYNPXVBPMUPBH-UHFFFAOYSA-N 0 3 290.454 2.456 20 30 CEEDHN C[C@H]1CC(=NNC(=S)NC2CCCCC2)CCN1C ZINC000741459064 574987889 /nfs/dbraw/zinc/98/78/89/574987889.db2.gz YHFSINDGOCMOSY-NSHDSACASA-N 0 3 282.457 2.253 20 30 CEEDHN C#CCOc1ccc(C(=O)N(CCC)CCN(C)C)cc1 ZINC000741686804 574994361 /nfs/dbraw/zinc/99/43/61/574994361.db2.gz NJBMKTSATLIAOV-UHFFFAOYSA-N 0 3 288.391 2.112 20 30 CEEDHN COCCOC[C@H](C)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000742377284 575018677 /nfs/dbraw/zinc/01/86/77/575018677.db2.gz REVFXVVVKQIIAI-UONOGXRCSA-N 0 3 292.379 2.119 20 30 CEEDHN C[C@@H]1CCCN1CCNc1c(C#N)nnc2ccccc21 ZINC000742424963 575021272 /nfs/dbraw/zinc/02/12/72/575021272.db2.gz IAECKKOPAQEAOP-GFCCVEGCSA-N 0 3 281.363 2.398 20 30 CEEDHN C=C(CNCc1ccc(OCC(N)=O)cc1)c1ccccc1 ZINC000742718161 575030981 /nfs/dbraw/zinc/03/09/81/575030981.db2.gz LHEHFNAOXFVFCP-UHFFFAOYSA-N 0 3 296.370 2.354 20 30 CEEDHN C#CCNC(=O)CN(C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000743869701 575111830 /nfs/dbraw/zinc/11/18/30/575111830.db2.gz WMHLEZWEOBSGOX-INIZCTEOSA-N 0 3 290.382 2.074 20 30 CEEDHN C[C@@H](C(=O)C(C#N)C(=O)NCc1ccccc1)c1ccco1 ZINC000744027529 575112442 /nfs/dbraw/zinc/11/24/42/575112442.db2.gz XWIZUXHVPVFDNS-OCCSQVGLSA-N 0 3 296.326 2.408 20 30 CEEDHN C#CCOc1ccccc1CNCCN1CC[C@H](C)C1 ZINC000744450476 575121684 /nfs/dbraw/zinc/12/16/84/575121684.db2.gz WJXPBNGSNZGEFI-HNNXBMFYSA-N 0 3 272.392 2.130 20 30 CEEDHN N=C(N)NN=C(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000745193281 575134846 /nfs/dbraw/zinc/13/48/46/575134846.db2.gz LWZLIOKYSPDUAA-UHFFFAOYSA-N 0 3 287.754 2.165 20 30 CEEDHN C=CC[C@@H](NC(=O)C1CCN(C)CC1)c1ccncc1 ZINC000746270399 575153136 /nfs/dbraw/zinc/15/31/36/575153136.db2.gz WOGBYIMXNRDJKW-OAHLLOKOSA-N 0 3 273.380 2.157 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H](C)c1nc2ccccc2o1 ZINC000746641929 575161532 /nfs/dbraw/zinc/16/15/32/575161532.db2.gz DGQXCRHLVCSPTG-NXEZZACHSA-N 0 3 257.293 2.207 20 30 CEEDHN CCC(=O)N[C@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000747198702 575168446 /nfs/dbraw/zinc/16/84/46/575168446.db2.gz KINGYLXDSJENHT-NXEZZACHSA-N 0 3 293.392 2.357 20 30 CEEDHN C=CCCCC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000748313926 575182929 /nfs/dbraw/zinc/18/29/29/575182929.db2.gz SFPWDIRCVDGJHI-OAHLLOKOSA-N 0 3 280.412 2.102 20 30 CEEDHN OCCCNN=C1CCCC[C@H]1N1CCCCCC1 ZINC000749814349 575235200 /nfs/dbraw/zinc/23/52/00/575235200.db2.gz ALPXRJIQMDUQTR-OAHLLOKOSA-N 0 3 267.417 2.133 20 30 CEEDHN C#C[C@@H](CC)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000753141198 575320454 /nfs/dbraw/zinc/32/04/54/575320454.db2.gz VJNNLGODODNYJX-IRXDYDNUSA-N 0 3 299.418 2.362 20 30 CEEDHN C#CCCN1CCCN(C(=O)CC(C)(C)C2CC2)CC1 ZINC000981109933 613002477 /nfs/dbraw/zinc/00/24/77/613002477.db2.gz SUBMOEXAWBRIOZ-UHFFFAOYSA-N 0 3 276.424 2.370 20 30 CEEDHN CCCCCCCNC(=O)NCCN1CCC(OC)CC1 ZINC000875764710 649953718 /nfs/dbraw/zinc/95/37/18/649953718.db2.gz ONDACAGPEZLPIZ-UHFFFAOYSA-N 0 3 299.459 2.367 20 30 CEEDHN C=CC[N@@H+](CCCF)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819743470 607067505 /nfs/dbraw/zinc/06/75/05/607067505.db2.gz KEHDFVVEPQGGBC-UHFFFAOYSA-N 0 3 275.331 2.214 20 30 CEEDHN C=CC[N@H+](CCCF)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819743470 607067507 /nfs/dbraw/zinc/06/75/07/607067507.db2.gz KEHDFVVEPQGGBC-UHFFFAOYSA-N 0 3 275.331 2.214 20 30 CEEDHN C=C[C@H](C)[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823882744 608517458 /nfs/dbraw/zinc/51/74/58/608517458.db2.gz CVHYMPKJCZIYKT-IINYFYTJSA-N 0 3 269.352 2.408 20 30 CEEDHN C=C[C@H](C)[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823882744 608517460 /nfs/dbraw/zinc/51/74/60/608517460.db2.gz CVHYMPKJCZIYKT-IINYFYTJSA-N 0 3 269.352 2.408 20 30 CEEDHN C[C@H]([NH2+]CCCCC#N)c1ccc(-c2nnn[n-]2)cc1F ZINC000824584333 609333108 /nfs/dbraw/zinc/33/31/08/609333108.db2.gz ACIPJPSCYZFUFO-JTQLQIEISA-N 0 3 288.330 2.350 20 30 CEEDHN C[C@H]([NH2+]CCCCC#N)c1ccc(-c2nn[n-]n2)cc1F ZINC000824584333 609333110 /nfs/dbraw/zinc/33/31/10/609333110.db2.gz ACIPJPSCYZFUFO-JTQLQIEISA-N 0 3 288.330 2.350 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)C2(c3ccccc3C)CCC2)C1 ZINC000970591062 612960070 /nfs/dbraw/zinc/96/00/70/612960070.db2.gz MFSWYVHCIPSPGO-MRXNPFEDSA-N 0 3 296.414 2.240 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)CCc2cc(C)cc(C)c2)C1 ZINC000970419010 612960441 /nfs/dbraw/zinc/96/04/41/612960441.db2.gz CIECLTSVWOEBKQ-QGZVFWFLSA-N 0 3 284.403 2.060 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc3cscc3s2)C1 ZINC000969383311 612965231 /nfs/dbraw/zinc/96/52/31/612965231.db2.gz CXKKFSWWSBBFDV-LLVKDONJSA-N 0 3 290.413 2.400 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000970774228 612965485 /nfs/dbraw/zinc/96/54/85/612965485.db2.gz HYDGFEZPUGUPIP-GFCCVEGCSA-N 0 3 290.432 2.483 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2)C1 ZINC000970557669 612965538 /nfs/dbraw/zinc/96/55/38/612965538.db2.gz HCPKQAYSRQAHPH-MRXNPFEDSA-N 0 3 270.376 2.247 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cccc(C(F)F)c2)C1 ZINC000970538405 612966260 /nfs/dbraw/zinc/96/62/60/612966260.db2.gz ZITRFDAGGMDKJV-CYBMUJFWSA-N 0 3 278.302 2.062 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc(C)c(C)s2)C1 ZINC000970854177 612994771 /nfs/dbraw/zinc/99/47/71/612994771.db2.gz KQTVXCJDDHBIBN-GFCCVEGCSA-N 0 3 290.432 2.438 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)C23CCC(CC2)CC3)C1 ZINC000970913428 612996225 /nfs/dbraw/zinc/99/62/25/612996225.db2.gz NYFYSKQRARUEHK-SYJJWHGVSA-N 0 3 288.435 2.417 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC000970214173 612996655 /nfs/dbraw/zinc/99/66/55/612996655.db2.gz QRFIEAIVHKXTFZ-JSGCOSHPSA-N 0 3 298.377 2.272 20 30 CEEDHN C#CCCN1CCCN(C(=O)C2C(C)(C)C2(C)C)CC1 ZINC000980908512 613002145 /nfs/dbraw/zinc/00/21/45/613002145.db2.gz CUJVESZFHNIIQN-UHFFFAOYSA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCCN1CCCN(C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000981666970 613003993 /nfs/dbraw/zinc/00/39/93/613003993.db2.gz IKNPZHVUYDPVDW-BJWYYQGGSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCCN1CCCN(C(=O)c2cc3ccccn3c2)CC1 ZINC000982075066 613006073 /nfs/dbraw/zinc/00/60/73/613006073.db2.gz PLNGJMKSTVCWTF-UHFFFAOYSA-N 0 3 295.386 2.111 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC000968233399 613013162 /nfs/dbraw/zinc/01/31/62/613013162.db2.gz NFPYHSBFFWIGFR-CABCVRRESA-N 0 3 274.408 2.193 20 30 CEEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968579942 613014121 /nfs/dbraw/zinc/01/41/21/613014121.db2.gz QVGMDKLPAZTJMO-WBVHZDCISA-N 0 3 284.403 2.459 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)CC2CCCC2)C1 ZINC000964799731 613022721 /nfs/dbraw/zinc/02/27/21/613022721.db2.gz DWQIWVAKZAWKRU-HOCLYGCPSA-N 0 3 276.424 2.417 20 30 CEEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cncc(CC)c2)C1 ZINC000967381453 613023625 /nfs/dbraw/zinc/02/36/25/613023625.db2.gz PTCHPJDVMWJDMC-YOEHRIQHSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)CC2CCC2)C(C)(C)C1 ZINC000972995326 613031417 /nfs/dbraw/zinc/03/14/17/613031417.db2.gz KLYANSKSJYYYKM-CQSZACIVSA-N 0 3 262.397 2.027 20 30 CEEDHN C#CCCN1C[C@@H](NC(=O)c2cncc(CC)c2)C(C)(C)C1 ZINC000974826338 613032940 /nfs/dbraw/zinc/03/29/40/613032940.db2.gz IRWIUCUOAZAZJI-MRXNPFEDSA-N 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CC#CCN1CCC[C@@H](CNC(=O)c2ccoc2C)C1 ZINC001023221765 624966405 /nfs/dbraw/zinc/96/64/05/624966405.db2.gz QQTCMDUGJVQEKV-AWEZNQCLSA-N 0 3 274.364 2.053 20 30 CEEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(CC)o2)C1 ZINC001023447438 625015814 /nfs/dbraw/zinc/01/58/14/625015814.db2.gz NEZDRTIADXYDOD-CQSZACIVSA-N 0 3 288.391 2.307 20 30 CEEDHN CC#CCN1CCC[C@@H](CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001023447289 625016041 /nfs/dbraw/zinc/01/60/41/625016041.db2.gz KHELBTLNYSZBMA-HNNXBMFYSA-N 0 3 287.407 2.097 20 30 CEEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001023511031 625029059 /nfs/dbraw/zinc/02/90/59/625029059.db2.gz VLVRSNVSKRRBGB-UONOGXRCSA-N 0 3 298.377 2.273 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2ccccc2CC)C1 ZINC001023558658 625044489 /nfs/dbraw/zinc/04/44/89/625044489.db2.gz OSKLKHWKDMZACG-OAHLLOKOSA-N 0 3 284.403 2.324 20 30 CEEDHN C=CCN1CCC[C@@H](CNC(=O)c2cnoc2C(C)C)C1 ZINC001023683042 625118743 /nfs/dbraw/zinc/11/87/43/625118743.db2.gz LMQCSLPEZJQMJR-ZDUSSCGKSA-N 0 3 291.395 2.426 20 30 CEEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc(C)c2C)C1 ZINC001023731454 625153259 /nfs/dbraw/zinc/15/32/59/625153259.db2.gz RVYAPOAKNFIURH-MRXNPFEDSA-N 0 3 284.403 2.378 20 30 CEEDHN C=CCN1CCC(Nc2nccc3nc[nH]c32)CC1 ZINC000892397524 625210600 /nfs/dbraw/zinc/21/06/00/625210600.db2.gz USDWYGOVEFNHGP-UHFFFAOYSA-N 0 3 257.341 2.020 20 30 CEEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001024666833 625744340 /nfs/dbraw/zinc/74/43/40/625744340.db2.gz WXBDZNJRKWFNMM-RBSFLKMASA-N 0 3 262.397 2.027 20 30 CEEDHN C#C[C@H](CCC)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000820646776 634486768 /nfs/dbraw/zinc/48/67/68/634486768.db2.gz JREVYYMFPCQDFL-CQSZACIVSA-N 0 3 291.395 2.155 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2=CCCC2)C1 ZINC001025385375 627669329 /nfs/dbraw/zinc/66/93/29/627669329.db2.gz RXVJNGLHNOJFQY-GDBMZVCRSA-N 0 3 274.408 2.337 20 30 CEEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2coc(C)c2)C1 ZINC001025393701 627671329 /nfs/dbraw/zinc/67/13/29/627671329.db2.gz GOMYBWJCRPIUAN-CABCVRRESA-N 0 3 288.391 2.442 20 30 CEEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2sccc2F)C1 ZINC001025405798 627680775 /nfs/dbraw/zinc/68/07/75/627680775.db2.gz WQUVSKJIYSTUGC-NWDGAFQWSA-N 0 3 294.395 2.351 20 30 CEEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2[nH]ccc2C)C1 ZINC001025411213 627681748 /nfs/dbraw/zinc/68/17/48/627681748.db2.gz DHIJUBRAECCAKB-LSDHHAIUSA-N 0 3 287.407 2.177 20 30 CEEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc(CC)n2)C1 ZINC001025441400 627698327 /nfs/dbraw/zinc/69/83/27/627698327.db2.gz CXBIICPCDQFZAL-GJZGRUSLSA-N 0 3 299.418 2.108 20 30 CEEDHN C#CCOc1ccccc1-c1noc(C2(CN(C)C)CC2)n1 ZINC000923883177 627854383 /nfs/dbraw/zinc/85/43/83/627854383.db2.gz PBROZKTZSAFBKC-UHFFFAOYSA-N 0 3 297.358 2.342 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001007725210 627876550 /nfs/dbraw/zinc/87/65/50/627876550.db2.gz YQJJRWWNKKFVES-OAHLLOKOSA-N 0 3 287.407 2.469 20 30 CEEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)COC(C)=O)c1 ZINC000892973689 627910145 /nfs/dbraw/zinc/91/01/45/627910145.db2.gz VLALWMSFRREJHR-IUODEOHRSA-N 0 3 290.363 2.409 20 30 CEEDHN N#CC[C@]1(O)CCN(C2CC(OCc3ccccc3)C2)C1 ZINC000930819682 628276823 /nfs/dbraw/zinc/27/68/23/628276823.db2.gz YYMRHEXZEGOQAH-JCYILVPMSA-N 0 3 286.375 2.085 20 30 CEEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC001008963155 628580302 /nfs/dbraw/zinc/58/03/02/628580302.db2.gz BQWNFJPLHCVDCP-AWEZNQCLSA-N 0 3 291.395 2.452 20 30 CEEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2nocc2C)C1 ZINC001009107277 628587185 /nfs/dbraw/zinc/58/71/85/628587185.db2.gz ISPOXSSFUJQEBG-CYBMUJFWSA-N 0 3 277.368 2.143 20 30 CEEDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NCCC#N)C1 ZINC000093210696 628603666 /nfs/dbraw/zinc/60/36/66/628603666.db2.gz WREBJKPZNLKVOM-VXGBXAGGSA-N 0 3 267.373 2.326 20 30 CEEDHN C=CCCN1CCC[C@@H](NC(=O)c2occc2C)C1 ZINC001006747879 628715118 /nfs/dbraw/zinc/71/51/18/628715118.db2.gz AKDYFXWWSKWYGX-CYBMUJFWSA-N 0 3 262.353 2.358 20 30 CEEDHN O=C(C#CC1CC1)N1CCCN(CC2=CCCCC2)CC1 ZINC000981126260 628837425 /nfs/dbraw/zinc/83/74/25/628837425.db2.gz RHDBXYLEHQWXTK-UHFFFAOYSA-N 0 3 286.419 2.435 20 30 CEEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001010360161 628897675 /nfs/dbraw/zinc/89/76/75/628897675.db2.gz FHMXQQFJYOIGCE-GFCCVEGCSA-N 0 3 279.409 2.222 20 30 CEEDHN C=C(C)CCN1CC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001010360163 628897788 /nfs/dbraw/zinc/89/77/88/628897788.db2.gz FHMXQQFJYOIGCE-LBPRGKRZSA-N 0 3 279.409 2.222 20 30 CEEDHN CCC(=NNC(=N)N)c1ccc(OC(F)(F)F)cc1 ZINC000794888670 629348244 /nfs/dbraw/zinc/34/82/44/629348244.db2.gz QZNBOXYQAPUQTA-UHFFFAOYSA-N 0 3 274.246 2.182 20 30 CEEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)C(=O)NCc1ccco1 ZINC000925031248 629384021 /nfs/dbraw/zinc/38/40/21/629384021.db2.gz XGOPKABOSWJXOR-VXGBXAGGSA-N 0 3 277.368 2.202 20 30 CEEDHN N#CC(C(=O)CCc1ccsc1)C(=O)NC1CCCC1 ZINC000048555097 629402528 /nfs/dbraw/zinc/40/25/28/629402528.db2.gz ZVRWBJPCUOHMCQ-ZDUSSCGKSA-N 0 3 290.388 2.448 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)NCCC ZINC000795333343 629517694 /nfs/dbraw/zinc/51/76/94/629517694.db2.gz NPCRJCSAVKKUAB-ZBFHGGJFSA-N 0 3 272.392 2.125 20 30 CEEDHN CN(C)CC#CCNc1cc(C2CC2)nc(C2CC2)n1 ZINC000894875479 629710139 /nfs/dbraw/zinc/71/01/39/629710139.db2.gz DDQHHCOGDCVSTB-UHFFFAOYSA-N 0 3 270.380 2.208 20 30 CEEDHN CC[C@@H]1CCC[C@@H](CN2CCN(C(=O)CC#N)CC2)C1 ZINC000895066162 629841986 /nfs/dbraw/zinc/84/19/86/629841986.db2.gz ONHYWANMGKWOHS-HUUCEWRRSA-N 0 3 277.412 2.261 20 30 CEEDHN CC[C@H]1CCCC[C@H]1CN1CCN(C(=O)CC#N)CC1 ZINC000895067269 629843611 /nfs/dbraw/zinc/84/36/11/629843611.db2.gz SSOJEIWATOWOSN-GJZGRUSLSA-N 0 3 277.412 2.261 20 30 CEEDHN CCCCCCNC(=O)C(C#N)C(=O)CCC(F)F ZINC000796630330 629949865 /nfs/dbraw/zinc/94/98/65/629949865.db2.gz LKOAUENDLOVACA-JTQLQIEISA-N 0 3 274.311 2.437 20 30 CEEDHN C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895157307 629974481 /nfs/dbraw/zinc/97/44/81/629974481.db2.gz AFDZDGVHCVNIML-HZMBPMFUSA-N 0 3 298.333 2.256 20 30 CEEDHN O=C1[C@@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CCCN1[O-] ZINC000895159406 629976609 /nfs/dbraw/zinc/97/66/09/629976609.db2.gz VFEXWPRUTGAWGB-RISCZKNCSA-N 0 3 294.782 2.167 20 30 CEEDHN C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895161570 629980981 /nfs/dbraw/zinc/98/09/81/629980981.db2.gz HEQFTBQOFIDFQZ-OBJOEFQTSA-N 0 3 262.353 2.148 20 30 CEEDHN CC(C)C1CCC([NH2+][C@H]2CCCN([O-])C2=O)CC1 ZINC000895162843 629983030 /nfs/dbraw/zinc/98/30/30/629983030.db2.gz OFVQRMFBRMEKET-BPCQOVAHSA-N 0 3 254.374 2.171 20 30 CEEDHN O=C1[C@@H]([NH2+]C2CC(c3ccc(F)cc3F)C2)CCCN1[O-] ZINC000895196559 630025188 /nfs/dbraw/zinc/02/51/88/630025188.db2.gz LWJDGXZMGUHNIW-IUVQJJGASA-N 0 3 296.317 2.181 20 30 CEEDHN COCCN(C)N=C1CCCC[C@@H]1N1CCCCC1 ZINC000794963469 630052285 /nfs/dbraw/zinc/05/22/85/630052285.db2.gz WXNWZMYXBUVCHI-HNNXBMFYSA-N 0 3 267.417 2.349 20 30 CEEDHN C#C[C@H](N[C@@H]1CCc2cccnc21)C1CCOCC1 ZINC000895333063 630116296 /nfs/dbraw/zinc/11/62/96/630116296.db2.gz WKMLJWRWORSIHV-LSDHHAIUSA-N 0 3 256.349 2.087 20 30 CEEDHN C#CC1(NCc2cnc3ccc(C#N)cn23)CCCC1 ZINC000895674849 630295698 /nfs/dbraw/zinc/29/56/98/630295698.db2.gz GOSWVROCFWTXSJ-UHFFFAOYSA-N 0 3 264.332 2.242 20 30 CEEDHN C#CCC1(O)CCN(Cc2c(C)nn(CCC)c2C)CC1 ZINC000895669417 630299025 /nfs/dbraw/zinc/29/90/25/630299025.db2.gz CLGRZDKGPJGYQK-UHFFFAOYSA-N 0 3 289.423 2.260 20 30 CEEDHN CC(C)[C@H]1CN(Cc2csc(C#N)c2)CCN1C ZINC000895849084 630375489 /nfs/dbraw/zinc/37/54/89/630375489.db2.gz RPOZSWHTHYGXAY-CQSZACIVSA-N 0 3 263.410 2.392 20 30 CEEDHN CN(CCc1ccc2c(c1)OCO2)Cc1cccc(C#N)n1 ZINC000895888785 630389332 /nfs/dbraw/zinc/38/93/32/630389332.db2.gz XKIWMGNDHAJTDJ-UHFFFAOYSA-N 0 3 295.342 2.356 20 30 CEEDHN C#CCC1(NCc2cc(F)ncc2F)CCOCC1 ZINC000895894110 630391335 /nfs/dbraw/zinc/39/13/35/630391335.db2.gz JARNMHCAAKSSDO-UHFFFAOYSA-N 0 3 266.291 2.022 20 30 CEEDHN C#CCC1([NH2+]Cc2cc(F)ccc2[O-])CCOCC1 ZINC000895894726 630392055 /nfs/dbraw/zinc/39/20/55/630392055.db2.gz PYENTBSZMZUXPL-UHFFFAOYSA-N 0 3 263.312 2.193 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000895947588 630410889 /nfs/dbraw/zinc/41/08/89/630410889.db2.gz JZPNDQUVMGCGKL-UONOGXRCSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CC(C)(C)CCNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000895949148 630415655 /nfs/dbraw/zinc/41/56/55/630415655.db2.gz ZWVPIMBZMKTISV-CYBMUJFWSA-N 0 3 267.417 2.324 20 30 CEEDHN COC(=O)CC(C)(C)NCC#Cc1ccc(F)cc1 ZINC000179051342 630515162 /nfs/dbraw/zinc/51/51/62/630515162.db2.gz VLPFDLNAYKWSED-UHFFFAOYSA-N 0 3 263.312 2.109 20 30 CEEDHN C#CCC[C@H](O)CNc1ccnc2ccc(C)cc21 ZINC000798419302 630868953 /nfs/dbraw/zinc/86/89/53/630868953.db2.gz GYKKKPIFXYNBMN-ZDUSSCGKSA-N 0 3 254.333 2.151 20 30 CEEDHN Cc1ccc(C(=O)NC[C@@H](C)N2CCCCC2)cc1C#N ZINC000799568204 631046150 /nfs/dbraw/zinc/04/61/50/631046150.db2.gz IWDRJMQONQWTQH-CQSZACIVSA-N 0 3 285.391 2.471 20 30 CEEDHN CCCCCCCS(=O)(=O)NCCCN1CCCC1 ZINC000799749318 631075440 /nfs/dbraw/zinc/07/54/40/631075440.db2.gz OCMYPYZHXGLAGP-UHFFFAOYSA-N 0 3 290.473 2.362 20 30 CEEDHN CC(C)(C)n1cc(CNCCNc2ccc(C#N)cn2)cn1 ZINC000897398457 631286714 /nfs/dbraw/zinc/28/67/14/631286714.db2.gz FGYCCYAZYALHSZ-UHFFFAOYSA-N 0 3 298.394 2.106 20 30 CEEDHN CC[C@@H](N[C@@H]1CCCN(C)C1=O)c1cccc(C#N)c1 ZINC000902832315 634850750 /nfs/dbraw/zinc/85/07/50/634850750.db2.gz SOCONQCBHXGRTN-HUUCEWRRSA-N 0 3 271.364 2.220 20 30 CEEDHN C[C@H](C#N)OCCN1CCC[C@@H]1c1ccc(O)cc1 ZINC000801930506 631358794 /nfs/dbraw/zinc/35/87/94/631358794.db2.gz QTZBJNRYYGGCMZ-IUODEOHRSA-N 0 3 260.337 2.458 20 30 CEEDHN C[C@H](C#N)OCCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000801939110 631363517 /nfs/dbraw/zinc/36/35/17/631363517.db2.gz MQTGDAMMUUQDFL-MNOVXSKESA-N 0 3 263.297 2.174 20 30 CEEDHN C[C@H](C#N)OCCN(C)C[C@H](C)c1nccs1 ZINC000801940199 631365179 /nfs/dbraw/zinc/36/51/79/631365179.db2.gz YTURWMAYRWWBID-WDEREUQCSA-N 0 3 253.371 2.107 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc3occc3c2)C1 ZINC000988874614 631703645 /nfs/dbraw/zinc/70/36/45/631703645.db2.gz LJHOHJMZOHYHGK-IUODEOHRSA-N 0 3 282.343 2.259 20 30 CEEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCc2cccc(C)c2)C1 ZINC000989234478 631753512 /nfs/dbraw/zinc/75/35/12/631753512.db2.gz FLDDRNLNEKSKIV-WBVHZDCISA-N 0 3 284.403 2.140 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000989384296 631804258 /nfs/dbraw/zinc/80/42/58/631804258.db2.gz NKEADUKXOBWQQD-ZYHUDNBSSA-N 0 3 294.757 2.305 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3occc3s2)C1 ZINC000989443034 631931707 /nfs/dbraw/zinc/93/17/07/631931707.db2.gz MXMIAZTYZWTAOZ-WDEREUQCSA-N 0 3 288.372 2.320 20 30 CEEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc[nH]c2C2CCC2)C1 ZINC000989448779 631999036 /nfs/dbraw/zinc/99/90/36/631999036.db2.gz XLCYLJQTHQCVJR-TZMCWYRMSA-N 0 3 285.391 2.108 20 30 CEEDHN N#CC[C@@H](O)CN1CCSC2(CCCCC2)C1 ZINC000809576833 632104203 /nfs/dbraw/zinc/10/42/03/632104203.db2.gz GXEGBMQWIGXFRW-GFCCVEGCSA-N 0 3 254.399 2.013 20 30 CEEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(F)F)cc2)C1 ZINC000989556955 632204573 /nfs/dbraw/zinc/20/45/73/632204573.db2.gz CDTWLNLOQACTKH-SMDDNHRTSA-N 0 3 292.329 2.450 20 30 CEEDHN Cc1ccc(CCC(=O)C(C#N)C(=O)NC(C)C)s1 ZINC000810533554 632223124 /nfs/dbraw/zinc/22/31/24/632223124.db2.gz OQYGCSRFCQYHCE-GFCCVEGCSA-N 0 3 278.377 2.223 20 30 CEEDHN CC(=O)N[C@]12CCC[C@H]1N(Cc1cccc(C#N)c1)CC2 ZINC000989871350 632262121 /nfs/dbraw/zinc/26/21/21/632262121.db2.gz SRSPNHIASRKLDZ-SJORKVTESA-N 0 3 283.375 2.191 20 30 CEEDHN C[C@H]1C[C@@H]1C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000989891736 632270130 /nfs/dbraw/zinc/27/01/30/632270130.db2.gz ALJUCZJSVLUKEE-GUYCJALGSA-N 0 3 297.402 2.295 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)C3CCCC3)CCC[C@H]12 ZINC000989897342 632275314 /nfs/dbraw/zinc/27/53/14/632275314.db2.gz RNMGBVKYUMOCLY-GOEBONIOSA-N 0 3 262.397 2.476 20 30 CEEDHN C#CCN1CC[C@]2(NC(=O)Cc3cccs3)CCC[C@@H]12 ZINC000989915301 632279123 /nfs/dbraw/zinc/27/91/23/632279123.db2.gz FWLNWMWRZZVIJB-GDBMZVCRSA-N 0 3 288.416 2.037 20 30 CEEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cc(C)no3)CCC[C@@H]12 ZINC000989935620 632285026 /nfs/dbraw/zinc/28/50/26/632285026.db2.gz JOZNIJMBPCTZOF-ZBFHGGJFSA-N 0 3 289.379 2.286 20 30 CEEDHN C=CCN1CC[C@]2(NC(=O)c3ccnc(F)c3)CCC[C@H]12 ZINC000990016909 632302024 /nfs/dbraw/zinc/30/20/24/632302024.db2.gz PKJSUHDAFHBDRE-XJKSGUPXSA-N 0 3 289.354 2.134 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)CCC[C@@H]12 ZINC000990164099 632322740 /nfs/dbraw/zinc/32/27/40/632322740.db2.gz RSJBZUUFCYXVDA-RIUYPTKQSA-N 0 3 286.419 2.169 20 30 CEEDHN CC#CCN1CC[C@]2(NC(=O)C3=CCCC3)CCC[C@@H]12 ZINC000990222209 632327038 /nfs/dbraw/zinc/32/70/38/632327038.db2.gz JBYBQDDCFBOBLI-NVXWUHKLSA-N 0 3 272.392 2.233 20 30 CEEDHN C=CCN1CC[C@@]2(NC(=O)c3[nH]ccc3C)CCC[C@H]12 ZINC000990494839 632370095 /nfs/dbraw/zinc/37/00/95/632370095.db2.gz JNIVJKIIMKSRBW-BBRMVZONSA-N 0 3 273.380 2.236 20 30 CEEDHN C=C1CCC(C(=O)N(CC)[C@@H]2CCN(C)C2)CC1 ZINC000898587683 632547369 /nfs/dbraw/zinc/54/73/69/632547369.db2.gz PSVOHYMEAZIRAZ-CQSZACIVSA-N 0 3 250.386 2.285 20 30 CEEDHN C#C[C@@H](NC1CCN(C(=O)CC)CC1)c1ccc(F)cc1 ZINC000812792016 632581542 /nfs/dbraw/zinc/58/15/42/632581542.db2.gz HVMHXZYUEOTZHP-MRXNPFEDSA-N 0 3 288.366 2.491 20 30 CEEDHN CO[C@@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813218754 632650735 /nfs/dbraw/zinc/65/07/35/632650735.db2.gz ZCSROBPRULANMP-CBAPKCEASA-N 0 3 272.226 2.312 20 30 CEEDHN CC1/C(=C\c2ccnn2C2CCC2)C(=O)c2ncnn21 ZINC000899380812 632821419 /nfs/dbraw/zinc/82/14/19/632821419.db2.gz LDQOIWZHICNEDU-SZUMLMDFSA-N 0 3 269.308 2.041 20 30 CEEDHN CCC(=NNCCN1CCCCC1)c1cccc(N)c1 ZINC000814809093 632902354 /nfs/dbraw/zinc/90/23/54/632902354.db2.gz YCKGMRAKZBWKNG-UHFFFAOYSA-N 0 3 274.412 2.458 20 30 CEEDHN CCCC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccnc1 ZINC000814885721 632914188 /nfs/dbraw/zinc/91/41/88/632914188.db2.gz IEVGXWLWNXDFLS-GASCZTMLSA-N 0 3 285.395 2.446 20 30 CEEDHN COc1ccc(CN(C)CCOCCC#N)cc1F ZINC000815010773 632949386 /nfs/dbraw/zinc/94/93/86/632949386.db2.gz YZEHPPZQEWKMLG-UHFFFAOYSA-N 0 3 266.316 2.196 20 30 CEEDHN Nc1ccc2c(c1)C(=NN[C@@H]1CCCOC1)CCCC2 ZINC000817327328 633628590 /nfs/dbraw/zinc/62/85/90/633628590.db2.gz FVJFXUOGYDEIRA-CQSZACIVSA-N 0 3 273.380 2.468 20 30 CEEDHN C[C@H](CC#N)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900433657 633721637 /nfs/dbraw/zinc/72/16/37/633721637.db2.gz PKGXVFIAXPRSSR-LLVKDONJSA-N 0 3 270.336 2.323 20 30 CEEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CC12CC2 ZINC000817730433 633730861 /nfs/dbraw/zinc/73/08/61/633730861.db2.gz PDVFMOYUWLFNDL-KBPBESRZSA-N 0 3 282.343 2.154 20 30 CEEDHN CN1CCCc2cc(C=NN[C@@H]3CCCC[C@H]3O)ccc21 ZINC000901339412 634054608 /nfs/dbraw/zinc/05/46/08/634054608.db2.gz OBFPFMJFSWNKEI-NVXWUHKLSA-N 0 3 287.407 2.296 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@H](O)CC(F)(F)F ZINC000819071962 634059366 /nfs/dbraw/zinc/05/93/66/634059366.db2.gz GIZOGLOUWUZTPH-LBPRGKRZSA-N 0 3 287.281 2.102 20 30 CEEDHN CCc1noc(CC)c1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000819145163 634082500 /nfs/dbraw/zinc/08/25/00/634082500.db2.gz JDNCSFWLDNAVEC-MRXNPFEDSA-N 0 3 299.374 2.494 20 30 CEEDHN CCc1noc(C)c1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000819331237 634143548 /nfs/dbraw/zinc/14/35/48/634143548.db2.gz NWUSQIYCNKDOMZ-INIZCTEOSA-N 0 3 285.347 2.240 20 30 CEEDHN N#Cc1ccc([C@H](O)CN[C@@H]2COCc3ccccc32)cc1 ZINC000819376209 634161344 /nfs/dbraw/zinc/16/13/44/634161344.db2.gz VUDXXMOYLGKWCN-QZTJIDSGSA-N 0 3 294.354 2.453 20 30 CEEDHN CCCCCC[C@@H](C)NN=C1CCN(CCO)CC1 ZINC000819808980 634268461 /nfs/dbraw/zinc/26/84/61/634268461.db2.gz XZFCNFCAOXCYMZ-CQSZACIVSA-N 0 3 269.433 2.379 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1C[C@H](C)Cc2cc(OC)ccc21 ZINC000902926779 634900408 /nfs/dbraw/zinc/90/04/08/634900408.db2.gz NUJZQXNQXOBVFG-MLGOLLRUSA-N 0 3 288.391 2.210 20 30 CEEDHN C#CCN(C(=O)Nc1ccc(F)cc1)C1CCN(C)CC1 ZINC000902985705 634919514 /nfs/dbraw/zinc/91/95/14/634919514.db2.gz LEAKXPSAHQHFLO-UHFFFAOYSA-N 0 3 289.354 2.387 20 30 CEEDHN C=C[C@H](CO)N[C@H]1C[C@H](C)Cc2cc(OC)ccc21 ZINC000903055891 634948629 /nfs/dbraw/zinc/94/86/29/634948629.db2.gz DPOMIWJMVUHRGT-KFNAQCHYSA-N 0 3 261.365 2.455 20 30 CEEDHN COC[C@H](N[C@@H](C)c1cc(C#N)ccn1)C1CCOCC1 ZINC000903047688 634955209 /nfs/dbraw/zinc/95/52/09/634955209.db2.gz QDZHOJINMYTFEQ-LRDDRELGSA-N 0 3 289.379 2.045 20 30 CEEDHN C[C@H](N[C@H]1COC[C@@H]1C1CC1)c1cc(C#N)ccn1 ZINC000903439275 635118926 /nfs/dbraw/zinc/11/89/26/635118926.db2.gz CTSDDPACEYUFRD-ZBINZKHDSA-N 0 3 257.337 2.029 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)NOCC2CCC2)CC1 ZINC000824049275 635332292 /nfs/dbraw/zinc/33/22/92/635332292.db2.gz RTVJCQZIIZYTSA-UHFFFAOYSA-N 0 3 281.400 2.058 20 30 CEEDHN CC(C)N1CCC[C@H]1C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000824328676 635406863 /nfs/dbraw/zinc/40/68/63/635406863.db2.gz VUATYQMTPSTNRY-INIZCTEOSA-N 0 3 283.375 2.273 20 30 CEEDHN C=C[C@H](CC)CC(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000824895495 635520573 /nfs/dbraw/zinc/52/05/73/635520573.db2.gz YCLCLRJLHMGQMO-DOMZBBRYSA-N 0 3 250.386 2.189 20 30 CEEDHN COCCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905079270 635796392 /nfs/dbraw/zinc/79/63/92/635796392.db2.gz AEHDXMWHNYQXBG-HOXUKUGESA-N 0 3 299.330 2.144 20 30 CEEDHN Cc1cn2c(/C=C3/C(=O)c4ncnn4C3C)c(C)nc2s1 ZINC000905079337 635796530 /nfs/dbraw/zinc/79/65/30/635796530.db2.gz BHKWOTOZPULLKA-BZFUBLJMSA-N 0 3 299.359 2.445 20 30 CEEDHN COc1cc(/C=C2\C(=O)c3ncnn3C2C)cc(OC)c1 ZINC000905080568 635797805 /nfs/dbraw/zinc/79/78/05/635797805.db2.gz MPJCNERDMGUOLK-JHFYRWCBSA-N 0 3 285.303 2.136 20 30 CEEDHN CC1/C(=C/c2c[nH]c(C(F)(F)F)c2)C(=O)c2ncnn21 ZINC000905083169 635798821 /nfs/dbraw/zinc/79/88/21/635798821.db2.gz CBEKOUYRCLKAMD-UGMXDQQYSA-N 0 3 282.225 2.466 20 30 CEEDHN C=CC[C@H](NC[C@@](C)(O)C(F)F)c1ccncc1 ZINC000905121058 635826525 /nfs/dbraw/zinc/82/65/25/635826525.db2.gz JLUBSTVVBIXKTN-WCQYABFASA-N 0 3 256.296 2.305 20 30 CEEDHN C[C@H](CC#N)C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000826986266 636178668 /nfs/dbraw/zinc/17/86/68/636178668.db2.gz RRNFVYPESXWHKU-OCCSQVGLSA-N 0 3 271.364 2.056 20 30 CEEDHN CCN1CCC[C@H]1CNC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000905378868 636253979 /nfs/dbraw/zinc/25/39/79/636253979.db2.gz PXLDKQSEYANDKW-UMPYDWHISA-N 0 3 289.423 2.307 20 30 CEEDHN CC(C)(C#N)C[C@@H](O)CNCc1nccc2c1CCCC2 ZINC000905518511 636317486 /nfs/dbraw/zinc/31/74/86/636317486.db2.gz YJLKZWCNNRPWBA-CQSZACIVSA-N 0 3 287.407 2.351 20 30 CEEDHN C#C[C@@H](NCc1ccc(F)nc1C)C1CCOCC1 ZINC000827560401 636353279 /nfs/dbraw/zinc/35/32/79/636353279.db2.gz POWHRLHWOMAJIF-CQSZACIVSA-N 0 3 262.328 2.047 20 30 CEEDHN C#C[C@@H](NCc1sc(C)nc1C)C1CCOCC1 ZINC000827569733 636356186 /nfs/dbraw/zinc/35/61/86/636356186.db2.gz FAIWNKMYKSGSQA-CYBMUJFWSA-N 0 3 264.394 2.278 20 30 CEEDHN C#C[C@@H](NCc1n[nH]c2ccccc12)C1CCOCC1 ZINC000827570239 636356698 /nfs/dbraw/zinc/35/66/98/636356698.db2.gz JTEUNJJYZXWCCB-CQSZACIVSA-N 0 3 269.348 2.081 20 30 CEEDHN C#C[C@@H](NCc1[nH]nc2ccccc21)C1CCOCC1 ZINC000827570239 636356704 /nfs/dbraw/zinc/35/67/04/636356704.db2.gz JTEUNJJYZXWCCB-CQSZACIVSA-N 0 3 269.348 2.081 20 30 CEEDHN N#Cc1ccc([C@@H](O)CNCc2cccc3c2OCC3)cc1 ZINC000905616703 636359361 /nfs/dbraw/zinc/35/93/61/636359361.db2.gz KVIBNLZFAVCGRJ-KRWDZBQOSA-N 0 3 294.354 2.316 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)C(C)(C)N1CCCCC1 ZINC000906237916 636669737 /nfs/dbraw/zinc/66/97/37/636669737.db2.gz AGUMZZFRIPLMSL-ZDUSSCGKSA-N 0 3 265.401 2.259 20 30 CEEDHN CCCN1CCC[C@H]1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000829512054 636870986 /nfs/dbraw/zinc/87/09/86/636870986.db2.gz DQKGEGFQBRMIAO-SJORKVTESA-N 0 3 297.402 2.016 20 30 CEEDHN C#CC[C@H]1CCCN(CC(=O)N(CC)CC(=C)C)C1 ZINC000829769326 636925310 /nfs/dbraw/zinc/92/53/10/636925310.db2.gz SFKQCMROIQRCKV-HNNXBMFYSA-N 0 3 262.397 2.146 20 30 CEEDHN C#CC[C@@H]1CCCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)C1 ZINC000829768238 636925425 /nfs/dbraw/zinc/92/54/25/636925425.db2.gz AJQQXLYJGCMTBQ-HRCADAONSA-N 0 3 276.424 2.226 20 30 CEEDHN C#CC[C@@H]1CCCN(Cc2cc(=O)n3cccc(C)c3n2)C1 ZINC000829793268 636931196 /nfs/dbraw/zinc/93/11/96/636931196.db2.gz BTQXUMZIQSQJHK-OAHLLOKOSA-N 0 3 295.386 2.238 20 30 CEEDHN CC(C)(C(=O)N1CCC[C@@](C)(C#N)C1)N1CCCCC1 ZINC000907337798 636989780 /nfs/dbraw/zinc/98/97/80/636989780.db2.gz XHCCMWKASGBTJU-INIZCTEOSA-N 0 3 277.412 2.403 20 30 CEEDHN CC1(C)CCC[C@@H]1[C@@H]1CCN(CC(=O)NCCC#N)C1 ZINC000830169871 636998083 /nfs/dbraw/zinc/99/80/83/636998083.db2.gz DNWRJTRYBBYGPK-ZIAGYGMSSA-N 0 3 277.412 2.164 20 30 CEEDHN C#CC1CCN([C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000830316337 637033297 /nfs/dbraw/zinc/03/32/97/637033297.db2.gz ODBQMRJIMAHGKG-BBBYJDLNSA-N 0 3 276.424 2.415 20 30 CEEDHN Cn1ncc2c1CCC[C@@H]2NCc1ccc(OCC#N)cc1 ZINC000192948406 637163786 /nfs/dbraw/zinc/16/37/86/637163786.db2.gz IMKVOIQRITTXCU-INIZCTEOSA-N 0 3 296.374 2.490 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCOc1ccccc1 ZINC000876567541 650334748 /nfs/dbraw/zinc/33/47/48/650334748.db2.gz OPZVYYRYNCYJAS-CYBMUJFWSA-N 0 3 282.771 2.042 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1cccc(OC)c1 ZINC000876576405 650341402 /nfs/dbraw/zinc/34/14/02/650341402.db2.gz JUMOEUIEJRJGBL-GWCFXTLKSA-N 0 3 282.771 2.342 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccnn1CCCC ZINC000876586129 650346229 /nfs/dbraw/zinc/34/62/29/650346229.db2.gz ADGJGZLRAMSOSD-SNVBAGLBSA-N 0 3 270.764 2.092 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)CCO2 ZINC000876597537 650353219 /nfs/dbraw/zinc/35/32/19/650353219.db2.gz NZKXGSHKYOLIBT-LLVKDONJSA-N 0 3 266.728 2.030 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(CCC(C)C)C1CC1 ZINC000876599467 650353831 /nfs/dbraw/zinc/35/38/31/650353831.db2.gz BNZLBGSYVOFAKF-LBPRGKRZSA-N 0 3 258.793 2.493 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)Oc1ccccc1 ZINC000876605532 650356220 /nfs/dbraw/zinc/35/62/20/650356220.db2.gz XCWFHPMJXVYNNY-AAEUAGOBSA-N 0 3 282.771 2.040 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCOc1c(C)cccc1C ZINC000876605824 650356340 /nfs/dbraw/zinc/35/63/40/650356340.db2.gz ZPALTESVALVZNH-CYBMUJFWSA-N 0 3 296.798 2.268 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)CCSCC ZINC000876669282 650390797 /nfs/dbraw/zinc/39/07/97/650390797.db2.gz HJCJDWPSDMSGEP-VHSXEESVSA-N 0 3 264.822 2.104 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000876675425 650394449 /nfs/dbraw/zinc/39/44/49/650394449.db2.gz AOWUEACIZNDRAW-SDDRHHMPSA-N 0 3 288.819 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C#CC[C@H](COC)NC[C@@H](O)c1ccc(F)cc1Cl ZINC000863589282 646764084 /nfs/dbraw/zinc/76/40/84/646764084.db2.gz LQJINFGZLBGBKL-BXUZGUMPSA-N 0 3 285.746 2.140 20 30 CEEDHN CO[C@H](CN[C@H]1CCC[C@H](C#N)C1)C(F)(F)F ZINC000774292841 646829550 /nfs/dbraw/zinc/82/95/50/646829550.db2.gz MLUGKLBDYJDDCV-LPEHRKFASA-N 0 3 250.264 2.236 20 30 CEEDHN C#CCCCCNC(=O)NCCN(C)Cc1ccccc1 ZINC000119881622 646929273 /nfs/dbraw/zinc/92/92/73/646929273.db2.gz OTUCRILVUMGNNO-UHFFFAOYSA-N 0 3 287.407 2.221 20 30 CEEDHN C=C(C)[C@H](CO)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000775268874 646935610 /nfs/dbraw/zinc/93/56/10/646935610.db2.gz LSDGMFIQLFCEGY-DOMZBBRYSA-N 0 3 290.363 2.231 20 30 CEEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000775278765 646936700 /nfs/dbraw/zinc/93/67/00/646936700.db2.gz GOWHNYPVSJOTAV-XJKSGUPXSA-N 0 3 288.391 2.401 20 30 CEEDHN C#C[C@H](NCc1cc(-n2ccnc2)cs1)[C@@H]1CCCO1 ZINC000775340828 646942994 /nfs/dbraw/zinc/94/29/94/646942994.db2.gz IKSCXKVODIBARR-GJZGRUSLSA-N 0 3 287.388 2.204 20 30 CEEDHN C#C[C@H](N[C@@H](C)CC(=O)Nc1ccccc1)[C@H]1CCCO1 ZINC000775351146 646945074 /nfs/dbraw/zinc/94/50/74/646945074.db2.gz RWHFEVVNJQMXGE-CWRNSKLLSA-N 0 3 286.375 2.174 20 30 CEEDHN C#C[C@@H](NCCOc1ccc(C)cc1)[C@H]1CCCO1 ZINC000775790766 646993278 /nfs/dbraw/zinc/99/32/78/646993278.db2.gz ITYSYPXFIXIIBZ-HZPDHXFCSA-N 0 3 259.349 2.144 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@H](F)Cc2ccccc2)CC1 ZINC000778266402 647213487 /nfs/dbraw/zinc/21/34/87/647213487.db2.gz ZFQNWJCCZBQHNV-MRXNPFEDSA-N 0 3 290.382 2.334 20 30 CEEDHN C=CCNC(=S)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000865258533 647220944 /nfs/dbraw/zinc/22/09/44/647220944.db2.gz ZRYUDICVQMTNTN-HNNXBMFYSA-N 0 3 289.448 2.219 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CNCCOCC1CC1 ZINC000865455502 647301059 /nfs/dbraw/zinc/30/10/59/647301059.db2.gz ATPGYBKIYMDQRB-UHFFFAOYSA-N 0 3 273.380 2.140 20 30 CEEDHN C[C@@H]1CN=C(NN=C2CCCCc3ccccc32)N1 ZINC000779792393 647354606 /nfs/dbraw/zinc/35/46/06/647354606.db2.gz NFGLMFIODCBUSY-LLVKDONJSA-N 0 3 256.353 2.054 20 30 CEEDHN CN(C)c1ccc(C#N)cc1CN[C@H]1CO[C@@H](C2CC2)C1 ZINC000865643026 647402906 /nfs/dbraw/zinc/40/29/06/647402906.db2.gz QIWOYSORTYMGME-NVXWUHKLSA-N 0 3 285.391 2.281 20 30 CEEDHN CN1CCCc2cc(C=NN[C@H]3CCCOC3)ccc21 ZINC000780262819 647408616 /nfs/dbraw/zinc/40/86/16/647408616.db2.gz VJYBFWRZCKSJKH-HNNXBMFYSA-N 0 3 273.380 2.172 20 30 CEEDHN N#Cc1csc(CNC[C@@H]2C[C@H]2C2CCOCC2)n1 ZINC000865783024 647462893 /nfs/dbraw/zinc/46/28/93/647462893.db2.gz DULCYRAEJROENU-AAEUAGOBSA-N 0 3 277.393 2.167 20 30 CEEDHN C=CCN(C(=O)N[C@@H](C)C1=CCN(C)CC1)C(C)C ZINC000781395886 647524215 /nfs/dbraw/zinc/52/42/15/647524215.db2.gz YUJLUJMGHQJLAO-ZDUSSCGKSA-N 0 3 265.401 2.243 20 30 CEEDHN C#CCN1CCC(C(=O)NC(C)(C)CC(F)(F)F)CC1 ZINC000781808515 647562971 /nfs/dbraw/zinc/56/29/71/647562971.db2.gz VBKCFYUQWJQYTJ-UHFFFAOYSA-N 0 3 290.329 2.179 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)OCCN1CCCCC1 ZINC000782442609 647627211 /nfs/dbraw/zinc/62/72/11/647627211.db2.gz PTPACKCIIIZTHA-HNNXBMFYSA-N 0 3 269.385 2.244 20 30 CEEDHN C[C@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1ccn(C)n1 ZINC000866615907 647843556 /nfs/dbraw/zinc/84/35/56/647843556.db2.gz JNDMMZUOZCFTDY-NHYWBVRUSA-N 0 3 266.348 2.110 20 30 CEEDHN Cc1nccnc1[C@@H](C)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000866618152 647844857 /nfs/dbraw/zinc/84/48/57/647844857.db2.gz WEVHTFRSCDBCQK-WBMJQRKESA-N 0 3 278.359 2.475 20 30 CEEDHN N#CC(C(=O)NCc1cccc(Cl)c1)C(=O)C1CCC1 ZINC000786533735 648025299 /nfs/dbraw/zinc/02/52/99/648025299.db2.gz GHEHVSBAPMFKBC-CYBMUJFWSA-N 0 3 290.750 2.465 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1sc(C)cc1C ZINC000868582235 648181615 /nfs/dbraw/zinc/18/16/15/648181615.db2.gz WRSXBVJJKCEYOD-UHFFFAOYSA-N 0 3 264.394 2.050 20 30 CEEDHN Cn1ccnc1NN=Cc1cc(-n2ccnc2)cs1 ZINC000790302549 648404924 /nfs/dbraw/zinc/40/49/24/648404924.db2.gz UTOCRLPLXNZJSI-UHFFFAOYSA-N 0 3 272.337 2.113 20 30 CEEDHN C#CCOc1ccccc1CN[C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000792204287 648625614 /nfs/dbraw/zinc/62/56/14/648625614.db2.gz YJRICVSXEBRXTG-UKRRQHHQSA-N 0 3 287.359 2.130 20 30 CEEDHN COC(=O)c1cc(N=NC2C[C@@H](C)N(C)C2)ccc1C ZINC000793089583 648708231 /nfs/dbraw/zinc/70/82/31/648708231.db2.gz JMDFEXCYZLGOEJ-LLVKDONJSA-N 0 3 275.352 2.274 20 30 CEEDHN Cc1cc(CNC(C)(C)C(=O)N2CCCC2)ccc1C#N ZINC000793394076 648749922 /nfs/dbraw/zinc/74/99/22/648749922.db2.gz CRYTWUGLPCCFFP-UHFFFAOYSA-N 0 3 285.391 2.357 20 30 CEEDHN COCCCNN=Cc1ccc2c(c1)CCCN2C ZINC000794539914 648881239 /nfs/dbraw/zinc/88/12/39/648881239.db2.gz SEALXAGIJIFQCC-UHFFFAOYSA-N 0 3 261.369 2.029 20 30 CEEDHN C#CCNC(=O)CN(C(C)C)[C@H](C)c1ccccc1 ZINC000794682957 648903058 /nfs/dbraw/zinc/90/30/58/648903058.db2.gz DSYNAAKBOQSYSA-CQSZACIVSA-N 0 3 258.365 2.207 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871155277 649015390 /nfs/dbraw/zinc/01/53/90/649015390.db2.gz SUYGNXFIFXGKSL-UHFFFAOYSA-N 0 3 285.391 2.423 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@]12CCC[C@H]1OCC2 ZINC000872315574 649354732 /nfs/dbraw/zinc/35/47/32/649354732.db2.gz VTXHMRKQOQFIAZ-CVEARBPZSA-N 0 3 272.348 2.368 20 30 CEEDHN CC(=O)[C@](C#N)(CCN1C[C@@H]2COC[C@@H]2C1)c1ccccc1 ZINC000872319222 649356383 /nfs/dbraw/zinc/35/63/83/649356383.db2.gz BCKYQZMWPNPIFV-SOLBZPMBSA-N 0 3 298.386 2.005 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1Cc2ccccc2[C@@H](C)C1 ZINC000873023880 649534334 /nfs/dbraw/zinc/53/43/34/649534334.db2.gz AJNQJGHPPAPUJG-HNNXBMFYSA-N 0 3 299.418 2.270 20 30 CEEDHN C#C[C@H]1CC[C@H](NCc2c(Br)cnn2C)CC1 ZINC000873198393 649585711 /nfs/dbraw/zinc/58/57/11/649585711.db2.gz HUYFDUUVXLGCPN-XYPYZODXSA-N 0 3 296.212 2.464 20 30 CEEDHN CN(CCc1cccc(C#N)c1)Cc1cnc(N)s1 ZINC000873218886 649594570 /nfs/dbraw/zinc/59/45/70/649594570.db2.gz AUFSWMHBTPYXAV-UHFFFAOYSA-N 0 3 272.377 2.271 20 30 CEEDHN CCn1ccc(C(=O)C(C#N)c2ccncn2)c1C ZINC000873518463 649693029 /nfs/dbraw/zinc/69/30/29/649693029.db2.gz NQGVKKJYATUOKD-GFCCVEGCSA-N 0 3 254.293 2.097 20 30 CEEDHN Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)cc1C#N ZINC000874831028 649845229 /nfs/dbraw/zinc/84/52/29/649845229.db2.gz XBXDITOZPNZVKF-JKSUJKDBSA-N 0 3 283.375 2.175 20 30 CEEDHN C=CC[C@@H](C)N1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000879019766 651229428 /nfs/dbraw/zinc/22/94/28/651229428.db2.gz GTVVNHDTZBRDLV-GFCCVEGCSA-N 0 3 291.370 2.011 20 30 CEEDHN C=CCC[C@H](O)CN1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880057161 651380276 /nfs/dbraw/zinc/38/02/76/651380276.db2.gz OSLBYPRGDXIZFG-WOPDTQHZSA-N 0 3 281.318 2.355 20 30 CEEDHN C=CCCN1C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C1 ZINC000880155798 651393976 /nfs/dbraw/zinc/39/39/76/651393976.db2.gz YMQDRJBUBJYPKY-NXEZZACHSA-N 0 3 265.275 2.236 20 30 CEEDHN CC[C@](C)(CC(=O)OC)NCC#Cc1ccc(F)cc1 ZINC000130003196 652202183 /nfs/dbraw/zinc/20/21/83/652202183.db2.gz STKSXYIAJPRQSG-MRXNPFEDSA-N 0 3 277.339 2.499 20 30 CEEDHN C#CC[C@@H](CO)NCc1cc(Cl)c(OCC)c(OC)c1 ZINC000883122900 652368824 /nfs/dbraw/zinc/36/88/24/652368824.db2.gz DGWBEPMLCAXYGW-LBPRGKRZSA-N 0 3 297.782 2.221 20 30 CEEDHN C#CC[C@H](CO)NCc1ccccc1OC1CCCC1 ZINC000883124029 652369418 /nfs/dbraw/zinc/36/94/18/652369418.db2.gz SVPZGIBUORTFKL-OAHLLOKOSA-N 0 3 273.376 2.482 20 30 CEEDHN C#CC[C@H](CO)NCc1ccc(N(CC)CC)c(F)c1 ZINC000883123583 652369460 /nfs/dbraw/zinc/36/94/60/652369460.db2.gz CUENKCXSTWMPRI-CQSZACIVSA-N 0 3 278.371 2.146 20 30 CEEDHN C#CC[C@@H](CO)NCc1ccc(OCC=C)c(Cl)c1 ZINC000883123572 652369707 /nfs/dbraw/zinc/36/97/07/652369707.db2.gz CEPNRJXTNFSVDB-ZDUSSCGKSA-N 0 3 279.767 2.379 20 30 CEEDHN C#CC[C@H](CO)NCc1ccc(SC(F)F)cc1 ZINC000883124299 652370005 /nfs/dbraw/zinc/37/00/05/652370005.db2.gz CTDJWVJGYHRUHZ-LLVKDONJSA-N 0 3 271.332 2.475 20 30 CEEDHN C=CCC[C@@H](Cc1ccccc1)NCc1nncn1C ZINC000883172039 652388412 /nfs/dbraw/zinc/38/84/12/652388412.db2.gz RTRGZQFPSFWSPA-HNNXBMFYSA-N 0 3 270.380 2.482 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1nn(CC)c2ccccc12 ZINC000883400426 652456500 /nfs/dbraw/zinc/45/65/00/652456500.db2.gz MEJQHUHZFBLTDS-ZDUSSCGKSA-N 0 3 273.380 2.473 20 30 CEEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1cccc(Cl)c1)C2 ZINC000884044718 652655133 /nfs/dbraw/zinc/65/51/33/652655133.db2.gz SBHBTTFTQQLXCD-LOIXOFCESA-N 0 3 289.766 2.418 20 30 CEEDHN CC(C)C[C@H]1CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)C1 ZINC000884133842 652722559 /nfs/dbraw/zinc/72/25/59/652722559.db2.gz MSNMWACMBSSNDP-HCEZTOJASA-N 0 3 289.423 2.020 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)C2CC3(C2)CNC[C@@H]3C#N)C[C@@H](C)C1 ZINC000884142731 652726461 /nfs/dbraw/zinc/72/64/61/652726461.db2.gz JNHXFMTYMUHHGO-WUAGCZLOSA-N 0 3 289.423 2.067 20 30 CEEDHN C[C@H]1C[C@H](NC(=O)C2CC3(C2)CNC[C@H]3C#N)C[C@@H](C)C1 ZINC000884142729 652726714 /nfs/dbraw/zinc/72/67/14/652726714.db2.gz JNHXFMTYMUHHGO-CVZHDLGWSA-N 0 3 289.423 2.067 20 30 CEEDHN Cc1cc(F)cc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)c1 ZINC000884307020 652789206 /nfs/dbraw/zinc/78/92/06/652789206.db2.gz WAFUWBHMFKJBSL-BWBHSNQOSA-N 0 3 287.338 2.212 20 30 CEEDHN C[C@@H]1CCCC[C@H]1N(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884307181 652789714 /nfs/dbraw/zinc/78/97/14/652789714.db2.gz AXWHHRDCVMMMHL-LQCZDEPNSA-N 0 3 289.423 2.163 20 30 CEEDHN C[C@@H]1CCC[C@@H](NC(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC000884313638 652791520 /nfs/dbraw/zinc/79/15/20/652791520.db2.gz KRLHVOLKAGCAMK-RJZXRHAOSA-N 0 3 289.423 2.211 20 30 CEEDHN C[C@@H]1CCC[C@H](NC(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884313635 652791546 /nfs/dbraw/zinc/79/15/46/652791546.db2.gz KRLHVOLKAGCAMK-GQGDVANPSA-N 0 3 289.423 2.211 20 30 CEEDHN Cc1cccc2c1N(C(=O)C1CC3(C1)CNC[C@H]3C#N)CC2 ZINC000884316644 652792403 /nfs/dbraw/zinc/79/24/03/652792403.db2.gz ZABYYQVMPXGMHS-SWKXRBFHSA-N 0 3 295.386 2.024 20 30 CEEDHN C=CCN1CCC(N(C)C(=O)c2cc(C)n(C)c2C)CC1 ZINC001006387195 653033375 /nfs/dbraw/zinc/03/33/75/653033375.db2.gz JWSLWXYQBHUHLO-UHFFFAOYSA-N 0 3 289.423 2.364 20 30 CEEDHN CCN(CCC#N)c1ccc(CN2CCCC2)cn1 ZINC001165049305 721987278 /nfs/dbraw/zinc/98/72/78/721987278.db2.gz WHWVSZUJGAFWIX-UHFFFAOYSA-N 0 3 258.369 2.417 20 30 CEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC001040035010 805662707 /nfs/dbraw/zinc/66/27/07/805662707.db2.gz BBWTXTDYIZFAGD-QGZVFWFLSA-N 0 3 274.408 2.124 20 30 CEEDHN C#CCN1CCC(C)(CNC(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC001270919497 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274.408 2.452 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2ccccc2)CC1 ZINC001016481869 810443824 /nfs/dbraw/zinc/44/38/24/810443824.db2.gz HLYOKYMCUQRXQA-INIZCTEOSA-N 0 3 282.387 2.294 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccc3c2CCN3)CC1 ZINC001121998003 815375683 /nfs/dbraw/zinc/37/56/83/815375683.db2.gz MRRAOJZUVSEONP-UHFFFAOYSA-N 0 3 285.391 2.035 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C(F)=C2CCCC2)CC1 ZINC001016572512 810454141 /nfs/dbraw/zinc/45/41/41/810454141.db2.gz NNJMVKLJELQUAT-AWEZNQCLSA-N 0 3 290.382 2.388 20 30 CEEDHN C#CCN1CCC2(C[C@@H]2NC(=O)[C@H](C)C2CCC2)CC1 ZINC001016686573 810461167 /nfs/dbraw/zinc/46/11/67/810461167.db2.gz ATAWBCAOUZGARC-HIFRSBDPSA-N 0 3 274.408 2.027 20 30 CEEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C2(F)CCCC2)CC1 ZINC001016698251 810463093 /nfs/dbraw/zinc/46/30/93/810463093.db2.gz LZIAXXURZXGYTI-AWEZNQCLSA-N 0 3 292.398 2.263 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2[nH]c(C)cc2C)CC1 ZINC001016689486 810463266 /nfs/dbraw/zinc/46/32/66/810463266.db2.gz 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/nfs/dbraw/zinc/52/24/06/810522406.db2.gz IYVBUGXVBQGTFE-VUEDLFODSA-N 0 3 260.381 2.204 20 30 CEEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccoc1 ZINC001017462376 810524972 /nfs/dbraw/zinc/52/49/72/810524972.db2.gz PNIPUHXTTZANFX-IYBDPMFKSA-N 0 3 288.391 2.464 20 30 CEEDHN C=CCCC[C@H](N)C(=O)NCc1ccc2c(c1)CCCN2 ZINC001122022251 815378678 /nfs/dbraw/zinc/37/86/78/815378678.db2.gz GBLYFHPTRJELFX-HNNXBMFYSA-N 0 3 287.407 2.345 20 30 CEEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H](C)C3CCC3)C[C@@H]21 ZINC001084969799 810553358 /nfs/dbraw/zinc/55/33/58/810553358.db2.gz YKSVOAYQZOFUNV-OIISXLGYSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001085134328 810609470 /nfs/dbraw/zinc/60/94/70/810609470.db2.gz SALBVTWJXPEWBR-ZIAGYGMSSA-N 0 3 274.364 2.209 20 30 CEEDHN Cc1cc(CN[C@H](C)Cc2ccc(C#N)cc2)nn1C ZINC001172294234 815384394 /nfs/dbraw/zinc/38/43/94/815384394.db2.gz GVIWGLMVLULBMJ-GFCCVEGCSA-N 0 3 268.364 2.321 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(CC)c1O ZINC001122226728 815394265 /nfs/dbraw/zinc/39/42/65/815394265.db2.gz KGOJBEDCYLVLBJ-JTQLQIEISA-N 0 3 268.744 2.363 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(CC(C)C)[nH]n1 ZINC001122161037 815388696 /nfs/dbraw/zinc/38/86/96/815388696.db2.gz FYYJGCVVUXKBPY-LBPRGKRZSA-N 0 3 264.373 2.230 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001019426807 810709620 /nfs/dbraw/zinc/70/96/20/810709620.db2.gz QBZKIMZUDYOJBB-RRFJBIMHSA-N 0 3 274.408 2.027 20 30 CEEDHN C#CCN[C@H]1CCN(C(=O)[C@H](C)CC2CCCCC2)C1 ZINC001019461111 810712504 /nfs/dbraw/zinc/71/25/04/810712504.db2.gz GGNVOGFFKXKCBV-ZBFHGGJFSA-N 0 3 276.424 2.417 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccccn1 ZINC001085458515 810768892 /nfs/dbraw/zinc/76/88/92/810768892.db2.gz KINUYJAVTLTSQE-AWEZNQCLSA-N 0 3 273.380 2.194 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccoc1 ZINC001085487444 810783906 /nfs/dbraw/zinc/78/39/06/810783906.db2.gz ZJGYURMQOBLLMX-CQSZACIVSA-N 0 3 262.353 2.392 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC001020277770 810785987 /nfs/dbraw/zinc/78/59/87/810785987.db2.gz SNRRBGBDDCPLAJ-OPRDCNLKSA-N 0 3 278.730 2.021 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2nc(C)sc2C)C1 ZINC001020282497 810786501 /nfs/dbraw/zinc/78/65/01/810786501.db2.gz QPJOSHYJUCFEDW-XYPYZODXSA-N 0 3 299.827 2.363 20 30 CEEDHN CC[C@H](C)OCC[C@@H](C)[NH2+][C@H](C(=O)N[O-])[C@@H](C)CC ZINC001172349921 815398687 /nfs/dbraw/zinc/39/86/87/815398687.db2.gz NEULXUQOCDUMOU-RNJOBUHISA-N 0 3 274.405 2.090 20 30 CEEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1coc(C)c1 ZINC001038195416 810807081 /nfs/dbraw/zinc/80/70/81/810807081.db2.gz PPVMFGYLWCSINM-CQSZACIVSA-N 0 3 262.353 2.358 20 30 CEEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1C=CC=CC=C1 ZINC001038303829 810819578 /nfs/dbraw/zinc/81/95/78/810819578.db2.gz CNBGDBUHHJWJAA-INIZCTEOSA-N 0 3 272.392 2.442 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc2c[nH]ccc-2n1 ZINC001085672537 810872704 /nfs/dbraw/zinc/87/27/04/810872704.db2.gz AEANKRJAXWVVCA-CQSZACIVSA-N 0 3 298.390 2.285 20 30 CEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccn2ccnc2c1 ZINC001085719719 810887214 /nfs/dbraw/zinc/88/72/14/810887214.db2.gz BKIQSWIGFINBET-HNNXBMFYSA-N 0 3 298.390 2.057 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719911 810890741 /nfs/dbraw/zinc/89/07/41/810890741.db2.gz GRMSKHLSXYYONG-INMHGKMJSA-N 0 3 292.423 2.054 20 30 CEEDHN C=CCCN1CC[C@@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001038739407 810904122 /nfs/dbraw/zinc/90/41/22/810904122.db2.gz LGFKMQTYJFKIHO-QGZVFWFLSA-N 0 3 284.403 2.168 20 30 CEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1cncs1 ZINC001122378200 815406940 /nfs/dbraw/zinc/40/69/40/815406940.db2.gz XXIYEDPBEMTCSM-VHSXEESVSA-N 0 3 253.371 2.004 20 30 CEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC12CCC2 ZINC001085847797 810939787 /nfs/dbraw/zinc/93/97/87/810939787.db2.gz LFHNULMLHUMSOB-ZIAGYGMSSA-N 0 3 262.397 2.285 20 30 CEEDHN C#Cc1ccc(C(=O)NC[C@H]2CCN2CC2CCCC2)cn1 ZINC001038928420 810950285 /nfs/dbraw/zinc/95/02/85/810950285.db2.gz QHNSZELVTANEJE-QGZVFWFLSA-N 0 3 297.402 2.057 20 30 CEEDHN CC#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001039185206 810996064 /nfs/dbraw/zinc/99/60/64/810996064.db2.gz DFOLZWRTNSYTSP-CVEARBPZSA-N 0 3 276.424 2.369 20 30 CEEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CC(C)(F)F)C1 ZINC001039231565 811000944 /nfs/dbraw/zinc/00/09/44/811000944.db2.gz SCJQPBOWLOWHNF-KBPBESRZSA-N 0 3 298.377 2.368 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2CCCC2)C1 ZINC001086010297 811005671 /nfs/dbraw/zinc/00/56/71/811005671.db2.gz WCACBJCGQGFVBZ-BJHJDKERSA-N 0 3 270.804 2.414 20 30 CEEDHN C=CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)no1 ZINC001039331988 811011359 /nfs/dbraw/zinc/01/13/59/811011359.db2.gz JWFUCRHMSOQFFQ-KGLIPLIRSA-N 0 3 289.379 2.238 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2scnc2C)C1 ZINC001086033734 811013568 /nfs/dbraw/zinc/01/35/68/811013568.db2.gz CLOBDUCKMRUPSA-PHIMTYICSA-N 0 3 299.827 2.302 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1C ZINC001039371376 811018802 /nfs/dbraw/zinc/01/88/02/811018802.db2.gz GOBWYKLCWVIDIK-CVEARBPZSA-N 0 3 297.402 2.092 20 30 CEEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1C ZINC001039432135 811030755 /nfs/dbraw/zinc/03/07/55/811030755.db2.gz JPTWPBFBQRTAOM-CVEARBPZSA-N 0 3 299.418 2.036 20 30 CEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC001040038721 811076551 /nfs/dbraw/zinc/07/65/51/811076551.db2.gz ZXVKYNXQGCNIOL-QGZVFWFLSA-N 0 3 274.408 2.124 20 30 CEEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(CC)on2)C1 ZINC001086256292 811076909 /nfs/dbraw/zinc/07/69/09/811076909.db2.gz VEXZIHBVUAJHBY-PHIMTYICSA-N 0 3 297.786 2.088 20 30 CEEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)c3cc[nH]c3C)C2)C1 ZINC001040144716 811090207 /nfs/dbraw/zinc/09/02/07/811090207.db2.gz JAHNWQZWHAVWPD-GOSISDBHSA-N 0 3 299.418 2.275 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)c3ccc(C)o3)C2)CC1 ZINC001040595059 811117676 /nfs/dbraw/zinc/11/76/76/811117676.db2.gz ORRXNIXUVHBMLS-UHFFFAOYSA-N 0 3 286.375 2.149 20 30 CEEDHN N#CC(C(=O)CCCC(=O)C1CC1)c1ccccn1 ZINC001122538900 815423126 /nfs/dbraw/zinc/42/31/26/815423126.db2.gz IGZYBNWJELTNSI-GFCCVEGCSA-N 0 3 256.305 2.407 20 30 CEEDHN CC#CCN1CCC2(CCN(C(=O)[C@@H]3CC34CC4)C2)CC1 ZINC001040864662 811127398 /nfs/dbraw/zinc/12/73/98/811127398.db2.gz ICZZIWZZAGIKCH-HNNXBMFYSA-N 0 3 286.419 2.124 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)C[C@H](C)C3CC3)C2)CC1 ZINC001040954403 811127485 /nfs/dbraw/zinc/12/74/85/811127485.db2.gz ZATMMKIWXVHSSJ-HNNXBMFYSA-N 0 3 288.435 2.370 20 30 CEEDHN C#CCN1CCC2(CCN(C(=O)[C@H]3C[C@H]3C(C)C)C2)CC1 ZINC001040899552 811128217 /nfs/dbraw/zinc/12/82/17/811128217.db2.gz MRFRXWJJPRXFFW-HOTGVXAUSA-N 0 3 288.435 2.226 20 30 CEEDHN C#CCN1CC[C@@]2(CCN(C(=O)CC(C)(C)C3CC3)C2)C1 ZINC001041263527 811156884 /nfs/dbraw/zinc/15/68/84/811156884.db2.gz PPEZCGFOLGMIEO-GOSISDBHSA-N 0 3 288.435 2.370 20 30 CEEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C3(F)CCCC3)C2)C1 ZINC001041420640 811167328 /nfs/dbraw/zinc/16/73/28/811167328.db2.gz AVVNYRMVHWDFFO-MRXNPFEDSA-N 0 3 292.398 2.216 20 30 CEEDHN C#CCN1CC[C@]2(CCN(C(=O)c3cc[nH]c3C3CC3)C2)C1 ZINC001041606549 811179492 /nfs/dbraw/zinc/17/94/92/811179492.db2.gz RMBORGKVPSZYDF-SFHVURJKSA-N 0 3 297.402 2.063 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccco3)C[C@@H]21 ZINC001041905704 811212425 /nfs/dbraw/zinc/21/24/25/811212425.db2.gz VQSKYHSVMRLJSC-OLZOCXBDSA-N 0 3 260.337 2.002 20 30 CEEDHN Cn1ccnc1C(C#N)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001122605748 815430221 /nfs/dbraw/zinc/43/02/21/815430221.db2.gz AZKAHAYWJINJLN-YVECIDJPSA-N 0 3 257.337 2.423 20 30 CEEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(Cl)c[nH]3)C[C@@H]21 ZINC001041937497 811219122 /nfs/dbraw/zinc/21/91/22/811219122.db2.gz HNZVGBBNTHRKIR-RISCZKNCSA-N 0 3 293.798 2.391 20 30 CEEDHN C=CCN1CC[C@H]2CCN(C(=O)COC3CCCC3)C[C@H]21 ZINC001041951221 811224003 /nfs/dbraw/zinc/22/40/03/811224003.db2.gz AYYPEWDWROYJDT-GOEBONIOSA-N 0 3 292.423 2.054 20 30 CEEDHN C=C(C)CN1CC[C@H]2CCN(C(=O)c3cscn3)C[C@@H]21 ZINC001041967022 811225125 /nfs/dbraw/zinc/22/51/25/811225125.db2.gz 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/nfs/dbraw/zinc/45/32/84/815453284.db2.gz CETUROYBCCEWCE-ZFWWWQNUSA-N 0 3 263.385 2.156 20 30 CEEDHN N#CCc1cccc(N2CCCc3ccc(CN)nc32)n1 ZINC001169591889 811579004 /nfs/dbraw/zinc/57/90/04/811579004.db2.gz BROBULGAMHULCB-UHFFFAOYSA-N 0 3 279.347 2.086 20 30 CEEDHN CN(C)/C=N/c1ccc(N[C@H]2CCCOC2)cc1C#N ZINC001169667855 811615313 /nfs/dbraw/zinc/61/53/13/811615313.db2.gz PWHIZZCKCVZFIA-MPMPPSQCSA-N 0 3 272.352 2.371 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC001045568313 811626629 /nfs/dbraw/zinc/62/66/29/811626629.db2.gz MGWGGIDQRNRCKP-JKSUJKDBSA-N 0 3 299.418 2.342 20 30 CEEDHN C=CCN1CCC(C)(NC(=O)c2cnc(CC)s2)CC1 ZINC001045651032 811636004 /nfs/dbraw/zinc/63/60/04/811636004.db2.gz YAFKGHHRVLYDRU-UHFFFAOYSA-N 0 3 293.436 2.476 20 30 CEEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)F)C2 ZINC001045908689 811662303 /nfs/dbraw/zinc/66/23/03/811662303.db2.gz JIZNMPAMWDLHTG-INIZCTEOSA-N 0 3 280.387 2.072 20 30 CEEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C=C1CCC1)C2 ZINC001045927941 811666347 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C#CCCN1C[C@@H](NC(=O)c2occc2CC)CC[C@H]1C ZINC001071799904 813486144 /nfs/dbraw/zinc/48/61/44/813486144.db2.gz OQWBKFPKZQRMRU-HIFRSBDPSA-N 0 3 288.391 2.448 20 30 CEEDHN C=CCN1C[C@H](NC(=O)Cc2cccnc2C)CC[C@@H]1C ZINC001071824850 813492104 /nfs/dbraw/zinc/49/21/04/813492104.db2.gz NAZVIKXDNCFXIG-XJKSGUPXSA-N 0 3 287.407 2.088 20 30 CEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC001086761581 813515169 /nfs/dbraw/zinc/51/51/69/813515169.db2.gz MAHFSGWZOGRDFI-CMPLNLGQSA-N 0 3 299.777 2.394 20 30 CEEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001086778333 813525496 /nfs/dbraw/zinc/52/54/96/813525496.db2.gz HJVLAXTXHXRQSB-SYEHKZFSSA-N 0 3 270.804 2.269 20 30 CEEDHN C=C(C)CN1C[C@@H](NC(=O)c2[nH]cnc2CC)CC[C@H]1C ZINC001072029209 813533569 /nfs/dbraw/zinc/53/35/69/813533569.db2.gz GBQNNGRXYRHJTF-OLZOCXBDSA-N 0 3 290.411 2.131 20 30 CEEDHN CC#CCN1CCC[C@H](N(Cc2ccccn2)C(C)=O)CC1 ZINC001072129790 813548725 /nfs/dbraw/zinc/54/87/25/813548725.db2.gz 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/nfs/dbraw/zinc/72/36/88/813723688.db2.gz XIXWLHXQJHEDLZ-UHFFFAOYSA-N 0 3 297.402 2.063 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C[C@H](C)n3cccc3)C2)C1 ZINC001073136075 813730300 /nfs/dbraw/zinc/73/03/00/813730300.db2.gz YXMRMJASOYAFPS-HNNXBMFYSA-N 0 3 287.407 2.160 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)Cc3cccc(F)c3)C2)C1 ZINC001073408159 813749262 /nfs/dbraw/zinc/74/92/62/813749262.db2.gz DJAVHUUKPROUGY-UHFFFAOYSA-N 0 3 288.366 2.089 20 30 CEEDHN C=CC(=NCOC)N[C@@H]1CCc2ccc(O)cc2C1 ZINC001171029933 813758119 /nfs/dbraw/zinc/75/81/19/813758119.db2.gz WVFJZTAJEBBCSU-CYBMUJFWSA-N 0 3 260.337 2.028 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CCCC2)C1 ZINC001098683923 813936730 /nfs/dbraw/zinc/93/67/30/813936730.db2.gz AVHWLATYHOJZNP-HOCLYGCPSA-N 0 3 262.397 2.333 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC=CCC2)C1 ZINC001098725757 813939623 /nfs/dbraw/zinc/93/96/23/813939623.db2.gz NHXYBVVZIKSJBI-VYDXJSESSA-N 0 3 274.408 2.499 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)n2cccc2)C1 ZINC001098791420 813949423 /nfs/dbraw/zinc/94/94/23/813949423.db2.gz UMWRBMFEIASTDQ-VYDXJSESSA-N 0 3 287.407 2.206 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccncc2C)C1 ZINC001098825294 813953975 /nfs/dbraw/zinc/95/39/75/813953975.db2.gz OWISSLCEXGDZQH-YOEHRIQHSA-N 0 3 285.391 2.160 20 30 CEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccnc(C)c2)C1 ZINC001099086779 813985034 /nfs/dbraw/zinc/98/50/34/813985034.db2.gz SFSFRJGMYUXSSQ-RDJZCZTQSA-N 0 3 285.391 2.160 20 30 CEEDHN C#CCN1CCN([C@H](C)Cc2ccc(C)cc2)CC1 ZINC001255797864 813993186 /nfs/dbraw/zinc/99/31/86/813993186.db2.gz VFBFYIPSIASTHB-MRXNPFEDSA-N 0 3 256.393 2.177 20 30 CEEDHN C=C(C)CN1CC[C@@H](NC(=O)CC2(C)CCCC2)[C@H](O)C1 ZINC001099816292 814036962 /nfs/dbraw/zinc/03/69/62/814036962.db2.gz VYXFSKNFBWXZIW-HUUCEWRRSA-N 0 3 294.439 2.084 20 30 CEEDHN C=C(C)CN1CC[C@H](NC(=O)C(CCC)CCC)[C@H](O)C1 ZINC001099971466 814047901 /nfs/dbraw/zinc/04/79/01/814047901.db2.gz IMISDQURYSWFFA-JKSUJKDBSA-N 0 3 296.455 2.330 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCC2(F)F)C1 ZINC001091092930 814067091 /nfs/dbraw/zinc/06/70/91/814067091.db2.gz XXHVPEWSCIFITJ-ILDUYXDCSA-N 0 3 292.757 2.269 20 30 CEEDHN C#Cc1ccc(CN2CC[C@@H](Oc3nccc(C)n3)C2)cc1 ZINC001144580560 814115008 /nfs/dbraw/zinc/11/50/08/814115008.db2.gz FOMMSVWDBVQTDX-QGZVFWFLSA-N 0 3 293.370 2.420 20 30 CEEDHN C#Cc1ccc(CN2CCc3c(cc[nH]c3=O)C2)cc1 ZINC001144578346 814115481 /nfs/dbraw/zinc/11/54/81/814115481.db2.gz BFJCKNJWSHYPFE-UHFFFAOYSA-N 0 3 264.328 2.327 20 30 CEEDHN C=CCOC1CCC(N2CCC(F)(F)[C@@H](N)C2)CC1 ZINC001246598900 814198325 /nfs/dbraw/zinc/19/83/25/814198325.db2.gz PIPWKQBZELXUDA-BPCQOVAHSA-N 0 3 274.355 2.169 20 30 CEEDHN C=C(Cl)CNC1CC(CNC(=O)c2ncccc2F)C1 ZINC001091299361 814205631 /nfs/dbraw/zinc/20/56/31/814205631.db2.gz PNGYMTJAFBWVOS-UHFFFAOYSA-N 0 3 297.761 2.071 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)CCCC(C)C)C[C@]2(C)C1 ZINC001101373013 814253785 /nfs/dbraw/zinc/25/37/85/814253785.db2.gz MJBYDAWHEVKPHS-WBVHZDCISA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)CC[C@@H](C)CC)C[C@]2(C)C1 ZINC001101403491 814255745 /nfs/dbraw/zinc/25/57/45/814255745.db2.gz JRHPPNURDLTTFX-UXLLHSPISA-N 0 3 276.424 2.226 20 30 CEEDHN C#CCN1C[C@@H]2CN(C(=O)C[C@H](CC)C(C)C)C[C@]2(C)C1 ZINC001101434327 814258811 /nfs/dbraw/zinc/25/88/11/814258811.db2.gz NBGXMZICFPICKM-JZXOWHBKSA-N 0 3 290.451 2.472 20 30 CEEDHN C#CCCCC(=O)NC[C@@H]1CN(Cc2cccnc2)C[C@H]1C ZINC001101921981 814339459 /nfs/dbraw/zinc/33/94/59/814339459.db2.gz NDBANVGADGTPHG-NVXWUHKLSA-N 0 3 299.418 2.069 20 30 CEEDHN C#CCNCCNC(=O)[C@H](CCCCC)C(C)C ZINC001147051615 814375878 /nfs/dbraw/zinc/37/58/78/814375878.db2.gz VFFIBEGKKSMDIB-CQSZACIVSA-N 0 3 252.402 2.178 20 30 CEEDHN C#CC1(N[C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173192937 815616877 /nfs/dbraw/zinc/61/68/77/815616877.db2.gz RZYTZKFADQRMQH-JTQLQIEISA-N 0 3 292.310 2.429 20 30 CEEDHN C=C[C@@H](CC)CC(=O)N1CC2(C1)CCN(CC#CC)C2 ZINC001148125471 814529270 /nfs/dbraw/zinc/52/92/70/814529270.db2.gz NLMLLLYELSNFCG-HNNXBMFYSA-N 0 3 274.408 2.146 20 30 CEEDHN C=CCN1CCC2(CN(C(=O)C3(CCC)CC3)C2)C1 ZINC001148241543 814546610 /nfs/dbraw/zinc/54/66/10/814546610.db2.gz MWTNHQMGMPKKAA-UHFFFAOYSA-N 0 3 262.397 2.287 20 30 CEEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)/C=C\C(C)(C)C)C1 ZINC001111668452 814595293 /nfs/dbraw/zinc/59/52/93/814595293.db2.gz KYDOXILKQDIMHP-YKMGAGOLSA-N 0 3 274.408 2.193 20 30 CEEDHN CC#CCNCCNC(=O)c1cccc(C(F)(F)F)c1 ZINC001148777905 814610724 /nfs/dbraw/zinc/61/07/24/814610724.db2.gz BDHXBHNTLRRRKR-UHFFFAOYSA-N 0 3 284.281 2.048 20 30 CEEDHN CCCCCCCCCC(=O)NCCN[C@H](CC)C(N)=O ZINC001148820072 814618419 /nfs/dbraw/zinc/61/84/19/814618419.db2.gz CFQHYEUHULANOD-CQSZACIVSA-N 0 3 299.459 2.097 20 30 CEEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C[C@@H](C)C(F)(F)F ZINC001273445639 814633653 /nfs/dbraw/zinc/63/36/53/814633653.db2.gz KCGHRPSGFPUFAQ-IJLUTSLNSA-N 0 3 290.329 2.436 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)C3CC(C)C3)C2)CC1 ZINC001086914507 814645672 /nfs/dbraw/zinc/64/56/72/814645672.db2.gz NRMAHUYOULUQGO-HWOWSKLDSA-N 0 3 288.435 2.369 20 30 CEEDHN C#CCN1CCC2(C[C@H](C)N(C(=O)/C=C/C3CC3)C2)CC1 ZINC001086910963 814648839 /nfs/dbraw/zinc/64/88/39/814648839.db2.gz GACOCFGDKIWVIN-LFAOLKIESA-N 0 3 286.419 2.289 20 30 CEEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[C@H]3CC)C2)CC1 ZINC001086944258 814652990 /nfs/dbraw/zinc/65/29/90/814652990.db2.gz SXCBKVDWGIKYTQ-BZUAXINKSA-N 0 3 288.435 2.369 20 30 CEEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C=C)c1ccccc1 ZINC001115281066 814691044 /nfs/dbraw/zinc/69/10/44/814691044.db2.gz ZGPUJKWTJHQMBF-MWDXBVQZSA-N 0 3 282.387 2.189 20 30 CEEDHN CC/C=C(\C)C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001124344969 815611812 /nfs/dbraw/zinc/61/18/12/815611812.db2.gz QIWVCNWLVWBEJQ-UUILKARUSA-N 0 3 289.354 2.259 20 30 CEEDHN Cc1nn(C)c(Cl)c1CN1CCC2SC(=O)C=C2C1 ZINC001137746808 815675237 /nfs/dbraw/zinc/67/52/37/815675237.db2.gz WMAORJZHGSSXEA-LLVKDONJSA-N 0 3 297.811 2.156 20 30 CEEDHN COC1C[C@@H]2COC[C@H](C1)N2C1CCC(C)(C#N)CC1 ZINC001173596098 815755850 /nfs/dbraw/zinc/75/58/50/815755850.db2.gz JJSRUKYOFCZGLV-KDJGIRDZSA-N 0 3 278.396 2.337 20 30 CEEDHN C=CCN(Cc1ccccc1)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001138470129 815807236 /nfs/dbraw/zinc/80/72/36/815807236.db2.gz UQVMJMYCQWOSIM-UHFFFAOYSA-N 0 3 285.347 2.384 20 30 CEEDHN C=CCc1cccc(C[N@@H+]2CCN3CCC2CC3)c1[O-] ZINC001138628125 815849096 /nfs/dbraw/zinc/84/90/96/815849096.db2.gz OWNANCOZKGNSDQ-UHFFFAOYSA-N 0 3 272.392 2.401 20 30 CEEDHN C=CCc1cccc(C[N@H+]2CCN3CCC2CC3)c1[O-] ZINC001138628125 815849104 /nfs/dbraw/zinc/84/91/04/815849104.db2.gz OWNANCOZKGNSDQ-UHFFFAOYSA-N 0 3 272.392 2.401 20 30 CEEDHN Cc1cnccc1Nc1c(C#N)cnn1C(C)(C)C ZINC001174536548 816023328 /nfs/dbraw/zinc/02/33/28/816023328.db2.gz XQMNPWPGWPSREA-UHFFFAOYSA-N 0 3 255.325 2.379 20 30 CEEDHN CCOc1ccncc1CN1CCC2SC(=O)C=C2C1 ZINC001139625915 816064725 /nfs/dbraw/zinc/06/47/25/816064725.db2.gz HWRPDJFAKWCDIN-AWEZNQCLSA-N 0 3 290.388 2.254 20 30 CEEDHN C#CC1CCN(Cc2cnc3cccnc3c2)CC1 ZINC001139743653 816103558 /nfs/dbraw/zinc/10/35/58/816103558.db2.gz LJMUIWGLKYJNRL-UHFFFAOYSA-N 0 3 251.333 2.475 20 30 CEEDHN C=C(Cl)CNCCCNC(=O)c1ccc(C2CC2)cn1 ZINC001174964345 816117216 /nfs/dbraw/zinc/11/72/16/816117216.db2.gz JHWZQIWXGVQDKG-UHFFFAOYSA-N 0 3 293.798 2.421 20 30 CEEDHN C=CCN(C)CCN(CC)C(=O)[C@H](C)C(C)(F)F ZINC001139869371 816131163 /nfs/dbraw/zinc/13/11/63/816131163.db2.gz HMEQVWCRZRBHJA-NSHDSACASA-N 0 3 262.344 2.244 20 30 CEEDHN CC#CCN1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1 ZINC001176000685 816318080 /nfs/dbraw/zinc/31/80/80/816318080.db2.gz ZLNGDHOKFRDUDW-UONOGXRCSA-N 0 3 263.381 2.309 20 30 CEEDHN COc1ccc(CN2CCC[C@H](CC#N)C2)cc1N ZINC001140899630 816405145 /nfs/dbraw/zinc/40/51/45/816405145.db2.gz WHDANIPEZXHSIE-GFCCVEGCSA-N 0 3 259.353 2.403 20 30 CEEDHN C=CCC(CC=C)C(=O)N1C[C@@H](CC)N[C@@H](C)C1 ZINC000620902032 349456012 /nfs/dbraw/zinc/45/60/12/349456012.db2.gz ILFVYJWHEDUSRK-GXTWGEPZSA-N 0 3 250.386 2.354 20 30 CEEDHN C=C(CC)CN1C[C@H]2C[C@@H](C1)Cn1c2cccc1=O ZINC000336261026 365538958 /nfs/dbraw/zinc/53/89/58/365538958.db2.gz HTUXORFWHRHFJM-UONOGXRCSA-N 0 3 258.365 2.234 20 30 CEEDHN Cc1cc([C@H](C)NCCc2cccc(C#N)c2)nn1C ZINC000337480040 214109998 /nfs/dbraw/zinc/10/99/98/214109998.db2.gz QGILVGBCRTVUDP-ZDUSSCGKSA-N 0 3 268.364 2.494 20 30 CEEDHN Cn1cc(C[C@@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)cn1 ZINC000121635203 365597884 /nfs/dbraw/zinc/59/78/84/365597884.db2.gz BKNUMHCXYUPKSP-AWEZNQCLSA-N 0 3 298.365 2.495 20 30 CEEDHN CC(C#N)C(=O)N1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000336513759 365586472 /nfs/dbraw/zinc/58/64/72/365586472.db2.gz YESAZXKYHTVQPA-KWQFWETISA-N 0 3 278.274 2.104 20 30 CEEDHN C#CCCN1CCC(O)(Cc2ccc(C)cc2)CC1 ZINC000034436620 361790484 /nfs/dbraw/zinc/79/04/84/361790484.db2.gz NKNVHIVYWFZSLE-UHFFFAOYSA-N 0 3 257.377 2.388 20 30 CEEDHN C[C@H]1C[C@@H](N(C)C(=O)C2(C#N)CCCC2)CCN1C ZINC000123888909 365643022 /nfs/dbraw/zinc/64/30/22/365643022.db2.gz SVKNDTKKMREHFG-STQMWFEESA-N 0 3 263.385 2.011 20 30 CEEDHN C=C1CC(C)(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)C1 ZINC000601437052 346837806 /nfs/dbraw/zinc/83/78/06/346837806.db2.gz NELWEWASEYIQFZ-ZIAGYGMSSA-N 0 3 294.464 2.381 20 30 CEEDHN CC(C)N1CCC[C@H](NC(=O)c2ccccc2CC#N)C1 ZINC000601454332 346840022 /nfs/dbraw/zinc/84/00/22/346840022.db2.gz ZKSPTHYRVCGEIX-HNNXBMFYSA-N 0 3 285.391 2.355 20 30 CEEDHN Cc1nocc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000601612536 346861913 /nfs/dbraw/zinc/86/19/13/346861913.db2.gz LTRLSYZLLNCFBP-CQSZACIVSA-N 0 3 283.331 2.372 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000337951501 214329128 /nfs/dbraw/zinc/32/91/28/214329128.db2.gz QMEFDUZNDDJNMD-MLGOLLRUSA-N 0 3 285.391 2.279 20 30 CEEDHN COC1CCN(CCNc2ccc(F)cc2C#N)CC1 ZINC000080250676 344004943 /nfs/dbraw/zinc/00/49/43/344004943.db2.gz MMWZHSYBMVCKTG-UHFFFAOYSA-N 0 3 277.343 2.220 20 30 CEEDHN CN(CCN1CCCCC1)C(=O)c1ccccc1CC#N ZINC000601659180 346872010 /nfs/dbraw/zinc/87/20/10/346872010.db2.gz MHJXRYGYWTZVMC-UHFFFAOYSA-N 0 3 285.391 2.311 20 30 CEEDHN C=CCOc1cccc(CN2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000668450733 539177482 /nfs/dbraw/zinc/17/74/82/539177482.db2.gz FYDMVQLDKZKEBG-MRXNPFEDSA-N 0 3 298.390 2.365 20 30 CEEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(OCC)cc1 ZINC000078347449 539168315 /nfs/dbraw/zinc/16/83/15/539168315.db2.gz LRXKEWGFWDEVGU-OLZOCXBDSA-N 0 3 276.380 2.427 20 30 CEEDHN O=C(C#Cc1ccccc1)N1CCC[C@@H]1CN1CCCC1 ZINC000080610692 344016451 /nfs/dbraw/zinc/01/64/51/344016451.db2.gz SXWZLLQQPSMXBG-QGZVFWFLSA-N 0 3 282.387 2.125 20 30 CEEDHN C=CC[C@H](CO)N[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000621758683 349694294 /nfs/dbraw/zinc/69/42/94/349694294.db2.gz GVKUDEOGBUCEAV-UKRRQHHQSA-N 0 3 274.364 2.011 20 30 CEEDHN CN(CCC(=O)N(C)[C@@H]1CCC[C@H]1C#N)c1ccncc1 ZINC000601817128 346907785 /nfs/dbraw/zinc/90/77/85/346907785.db2.gz ILYCMBLLEHNJDA-DZGCQCFKSA-N 0 3 286.379 2.059 20 30 CEEDHN C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[C@@H]1CCCCO1 ZINC000329453814 539239469 /nfs/dbraw/zinc/23/94/69/539239469.db2.gz MDPGSBYETQPARM-XPCVCDNBSA-N 0 3 295.427 2.073 20 30 CEEDHN CC1(C)CCCN(CCNC(=O)Cc2cncnc2)C1 ZINC000329581764 539243488 /nfs/dbraw/zinc/24/34/88/539243488.db2.gz QDLNPWVZAASHTK-UHFFFAOYSA-N 0 3 276.384 2.098 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000601830014 346913369 /nfs/dbraw/zinc/91/33/69/346913369.db2.gz PNACUTDQDSVMRL-HRCADAONSA-N 0 3 284.359 2.149 20 30 CEEDHN C=CC1CCN(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000127442474 365746956 /nfs/dbraw/zinc/74/69/56/365746956.db2.gz IETVUIPPEDMESN-OCCSQVGLSA-N 0 3 277.412 2.219 20 30 CEEDHN C[C@@H]1CN(c2nccnc2C#N)CCN1CCC1CCCC1 ZINC000155590045 136395554 /nfs/dbraw/zinc/39/55/54/136395554.db2.gz PJNGUSIZRJWGCN-CQSZACIVSA-N 0 3 299.422 2.439 20 30 CEEDHN N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000333314787 539323249 /nfs/dbraw/zinc/32/32/49/539323249.db2.gz OOKHXPVANFATLE-NWANDNLSSA-N 0 3 275.396 2.202 20 30 CEEDHN CCc1nc([C@H](C)NC(=O)[C@H]2CCCN2C2CC2)n[nH]1 ZINC000330301001 529745863 /nfs/dbraw/zinc/74/58/63/529745863.db2.gz ITZMHFLEKDWWOD-GXSJLCMTSA-N 0 3 277.372 2.011 20 30 CEEDHN CCc1ncc(CNCCOc2ccc(C#N)cc2)cn1 ZINC000414361366 529755426 /nfs/dbraw/zinc/75/54/26/529755426.db2.gz SPTXIEXPEVYELS-UHFFFAOYSA-N 0 3 282.347 2.079 20 30 CEEDHN C#CCN(CC)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000056517429 343617842 /nfs/dbraw/zinc/61/78/42/343617842.db2.gz DOZONXGIGNQZGO-UHFFFAOYSA-N 0 3 299.418 2.316 20 30 CEEDHN C=C[C@H](C)NC(=O)NCCN1CCCC[C@@H]1CC ZINC000128278659 365781687 /nfs/dbraw/zinc/78/16/87/365781687.db2.gz GOOWSJYNWCWFEZ-STQMWFEESA-N 0 3 253.390 2.125 20 30 CEEDHN CCOCCN1CCCN(c2ccccc2C#N)CC1 ZINC000058580640 343645342 /nfs/dbraw/zinc/64/53/42/343645342.db2.gz ZIOTZHQOTDRFLQ-UHFFFAOYSA-N 0 3 273.380 2.107 20 30 CEEDHN N#Cc1ccccc1OC[C@H](O)CNCc1ccsc1 ZINC000063152696 343674970 /nfs/dbraw/zinc/67/49/70/343674970.db2.gz UKHTZEUOJQSSTO-CQSZACIVSA-N 0 3 288.372 2.149 20 30 CEEDHN C=CCN1CCC(Nc2ncc(Br)cn2)CC1 ZINC000067372342 343734840 /nfs/dbraw/zinc/73/48/40/343734840.db2.gz VXPFHPDHKDKFDJ-UHFFFAOYSA-N 0 3 297.200 2.301 20 30 CEEDHN C[C@H](Cc1cnn(C)c1)NCc1cccc(F)c1C#N ZINC000602026499 346963154 /nfs/dbraw/zinc/96/31/54/346963154.db2.gz XFSVKWSYVMRSKI-LLVKDONJSA-N 0 3 272.327 2.152 20 30 CEEDHN C=CCNC(=O)CN(CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000066885021 343724011 /nfs/dbraw/zinc/72/40/11/343724011.db2.gz SAQARRNURIPSDD-AWEZNQCLSA-N 0 3 290.407 2.250 20 30 CEEDHN C[C@H]1C[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000068310623 343761307 /nfs/dbraw/zinc/76/13/07/343761307.db2.gz ZVEBBMTYRMHTDA-XJKSGUPXSA-N 0 3 285.391 2.104 20 30 CEEDHN C[C@@H](NCCCOc1cccc(C#N)c1)c1cn[nH]c1 ZINC000273924243 192365251 /nfs/dbraw/zinc/36/52/51/192365251.db2.gz BPAPCFARBZUPHQ-GFCCVEGCSA-N 0 3 270.336 2.401 20 30 CEEDHN CN(CC(=O)N[C@H](C#N)C(C)(C)C)CC(C)(C)C ZINC000602120006 346978022 /nfs/dbraw/zinc/97/80/22/346978022.db2.gz WZSXCLRSBDDYCV-LLVKDONJSA-N 0 3 253.390 2.019 20 30 CEEDHN CN(CCCC(C)(C)C#N)C[C@@H](O)C(F)(F)F ZINC000305789864 529880603 /nfs/dbraw/zinc/88/06/03/529880603.db2.gz ZPPKHFVKGCRJBH-SECBINFHSA-N 0 3 252.280 2.171 20 30 CEEDHN CCN(CC)CC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000075504535 343854489 /nfs/dbraw/zinc/85/44/89/343854489.db2.gz JQWMIBDPHGZADE-LBPRGKRZSA-N 0 3 259.353 2.077 20 30 CEEDHN C=CCN1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078660380 343960460 /nfs/dbraw/zinc/96/04/60/343960460.db2.gz RHRORYZHAAGWHP-UHFFFAOYSA-N 0 3 276.340 2.361 20 30 CEEDHN C=CCOc1ccc(C(=O)NC[C@H]2CCCN2C)cc1 ZINC000049095960 362337915 /nfs/dbraw/zinc/33/79/15/362337915.db2.gz UDXFIOZWWQUEMH-CQSZACIVSA-N 0 3 274.364 2.075 20 30 CEEDHN N#Cc1ccc(F)c(CN2CCC(c3nc[nH]n3)CC2)c1 ZINC000083425081 344077503 /nfs/dbraw/zinc/07/75/03/344077503.db2.gz QMONADNDGRXKQE-UHFFFAOYSA-N 0 3 285.326 2.195 20 30 CEEDHN C=CCCC[C@H](C)N1CCC(O)(C(=O)OCC)CC1 ZINC000091589561 344167608 /nfs/dbraw/zinc/16/76/08/344167608.db2.gz OBFHXNKBJUJFLP-ZDUSSCGKSA-N 0 3 269.385 2.121 20 30 CEEDHN Cc1nnc(N2C[C@H](N3CCCC3)C[C@@H]2C)c(C#N)c1C ZINC000286400413 282329343 /nfs/dbraw/zinc/32/93/43/282329343.db2.gz PNVOUONUZQFORM-SMDDNHRTSA-N 0 3 285.395 2.028 20 30 CEEDHN CCN1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000091174257 344156308 /nfs/dbraw/zinc/15/63/08/344156308.db2.gz GWBBBMHXNMNQBM-UHFFFAOYSA-N 0 3 290.342 2.257 20 30 CEEDHN CC(C)CN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000049442360 362363309 /nfs/dbraw/zinc/36/33/09/362363309.db2.gz JHQZJJLYCXCMCZ-CYBMUJFWSA-N 0 3 265.401 2.305 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@@H](C)CCSC ZINC000126628861 344325491 /nfs/dbraw/zinc/32/54/91/344325491.db2.gz XLFPIKOSKSFYMT-STQMWFEESA-N 0 3 285.457 2.068 20 30 CEEDHN CC(C)[C@H](C)CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000163098045 344469223 /nfs/dbraw/zinc/46/92/23/344469223.db2.gz ARRDVPRAOOQNBP-CYBMUJFWSA-N 0 3 294.420 2.214 20 30 CEEDHN C=C(C)COCCNC[C@@H](O)COc1c(C)cccc1C ZINC000163845524 344471325 /nfs/dbraw/zinc/47/13/25/344471325.db2.gz RITIEIKKEONFBK-MRXNPFEDSA-N 0 3 293.407 2.225 20 30 CEEDHN CCC(C#N)(CC)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000602491055 347057270 /nfs/dbraw/zinc/05/72/70/347057270.db2.gz NLRSQEFSPOCBNM-UHFFFAOYSA-N 0 3 287.363 2.437 20 30 CEEDHN CC[C@H]1CN(C)CCCN1c1cc(C#N)cc(C)n1 ZINC000234135683 344583700 /nfs/dbraw/zinc/58/37/00/344583700.db2.gz ORESEKILMJIIMF-AWEZNQCLSA-N 0 3 258.369 2.182 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC000246810033 344618091 /nfs/dbraw/zinc/61/80/91/344618091.db2.gz RMTOHSMRXVKZFQ-IJEWVQPXSA-N 0 3 276.424 2.273 20 30 CEEDHN CC[C@H](N[C@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000264873722 344657763 /nfs/dbraw/zinc/65/77/63/344657763.db2.gz PBODSTOVODHAAE-HIFRSBDPSA-N 0 3 273.380 2.488 20 30 CEEDHN CC(C)CC[C@@H](N)C(=O)NCC1(C#N)CCCCC1 ZINC000602521253 347065341 /nfs/dbraw/zinc/06/53/41/347065341.db2.gz LNXIIVYXONHMND-CYBMUJFWSA-N 0 3 265.401 2.340 20 30 CEEDHN C[C@@H](CNCc1cccc(C#N)n1)N1CCC[C@@H](C)C1 ZINC000602514754 347063822 /nfs/dbraw/zinc/06/38/22/347063822.db2.gz LVCWTVAFNJGVHE-KGLIPLIRSA-N 0 3 272.396 2.163 20 30 CEEDHN CN(C)C[C@@H](Cc1ccccc1)NCc1cccc(C#N)n1 ZINC000602517966 347064721 /nfs/dbraw/zinc/06/47/21/347064721.db2.gz IKGCVYQFIUUAKT-GOSISDBHSA-N 0 3 294.402 2.216 20 30 CEEDHN C[C@H](CCC#N)CN[C@@H]1CCN(c2ccccc2)C1=O ZINC000602534206 347069654 /nfs/dbraw/zinc/06/96/54/347069654.db2.gz HGBMGNUUTPWFMQ-UKRRQHHQSA-N 0 3 271.364 2.321 20 30 CEEDHN C[C@@H](C[C@H]1CCCC(=O)N1)NCc1ccc(C#N)cc1F ZINC000602537347 347069982 /nfs/dbraw/zinc/06/99/82/347069982.db2.gz DKYWQABVHCFIBH-SMDDNHRTSA-N 0 3 289.354 2.234 20 30 CEEDHN C[C@@H](O)[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000305154269 344709555 /nfs/dbraw/zinc/70/95/55/344709555.db2.gz BNGFVRLJEXLHAT-UKRRQHHQSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCc1cccc(C#N)n1 ZINC000602546921 347071863 /nfs/dbraw/zinc/07/18/63/347071863.db2.gz MSQYTRJEITYLBG-SUMWQHHRSA-N 0 3 281.359 2.207 20 30 CEEDHN COc1ccccc1[C@H](CO)NC1CCC(C#N)CC1 ZINC000602551481 347073356 /nfs/dbraw/zinc/07/33/56/347073356.db2.gz OKNDHWAYNVYJGV-PIMMBPRGSA-N 0 3 274.364 2.401 20 30 CEEDHN C=CCC[C@@H](CO)NCc1ccc(OC)cc1OC ZINC000320694276 344752704 /nfs/dbraw/zinc/75/27/04/344752704.db2.gz FBYPKYUEMXVNNB-ZDUSSCGKSA-N 0 3 265.353 2.121 20 30 CEEDHN C/C=C/C[C@@H]1CCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000602574535 347084195 /nfs/dbraw/zinc/08/41/95/347084195.db2.gz AWWLJEVIHVMXOH-DHMVDLOISA-N 0 3 263.385 2.212 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000424062344 344896834 /nfs/dbraw/zinc/89/68/34/344896834.db2.gz GXHYFHFEEXXIFX-HUUCEWRRSA-N 0 3 271.364 2.275 20 30 CEEDHN CC[C@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CCS1 ZINC000127308312 187295957 /nfs/dbraw/zinc/29/59/57/187295957.db2.gz MTDNUKUNTFTBHW-GJZGRUSLSA-N 0 3 276.405 2.419 20 30 CEEDHN COc1cc(CNCCOCC2CCC2)ccc1C#N ZINC000584877985 344995582 /nfs/dbraw/zinc/99/55/82/344995582.db2.gz SAXZNRVXCHGJQH-UHFFFAOYSA-N 0 3 274.364 2.473 20 30 CEEDHN N#Cc1ccc([C@H](O)CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000127360335 187299352 /nfs/dbraw/zinc/29/93/52/187299352.db2.gz WGVTWFFYXYYEMA-QGZVFWFLSA-N 0 3 296.374 2.194 20 30 CEEDHN C[C@@H](CO)N(Cc1ccnc(C#N)c1)C1CCCC1 ZINC000588204872 345043166 /nfs/dbraw/zinc/04/31/66/345043166.db2.gz FRTGEWXSZNEMQA-LBPRGKRZSA-N 0 3 259.353 2.079 20 30 CEEDHN CNC(=O)[C@H](CC(C)C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000589343470 345078240 /nfs/dbraw/zinc/07/82/40/345078240.db2.gz BKKYEALWPYXFKJ-CVEARBPZSA-N 0 3 285.391 2.296 20 30 CEEDHN C[C@@H](CCC#N)CN[C@@]1(CO)CCOc2ccccc21 ZINC000589820936 345099828 /nfs/dbraw/zinc/09/98/28/345099828.db2.gz HRQJZEWUCXARSK-XJKSGUPXSA-N 0 3 274.364 2.186 20 30 CEEDHN C[C@@H](CCC#N)CN[C@]1(CO)CCOc2ccccc21 ZINC000589820930 345100009 /nfs/dbraw/zinc/10/00/09/345100009.db2.gz HRQJZEWUCXARSK-BBRMVZONSA-N 0 3 274.364 2.186 20 30 CEEDHN C[C@H](NC(=O)CC1CCN(C)CC1)c1cccc(C#N)c1 ZINC000589839157 345101597 /nfs/dbraw/zinc/10/15/97/345101597.db2.gz PFYAMMPXKHXLNO-ZDUSSCGKSA-N 0 3 285.391 2.467 20 30 CEEDHN CN1C[C@@H]2CCN(C(=O)C[C@H](CC#N)c3ccccc3)[C@@H]2C1 ZINC000590046658 345111634 /nfs/dbraw/zinc/11/16/34/345111634.db2.gz MBCBLXGSXRYNOR-YESZJQIVSA-N 0 3 297.402 2.236 20 30 CEEDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1cccc(C#N)c1F ZINC000590751793 345173548 /nfs/dbraw/zinc/17/35/48/345173548.db2.gz HKQXDKKGFOJTJA-OLZOCXBDSA-N 0 3 276.311 2.129 20 30 CEEDHN CO[C@@H]1[C@@H](C)[C@@H](NCc2ccnc(C#N)c2)C1(C)C ZINC000590756765 345174878 /nfs/dbraw/zinc/17/48/78/345174878.db2.gz MHMRAAJZOTVHTH-ZLKJLUDKSA-N 0 3 259.353 2.102 20 30 CEEDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1ccncc1C#N ZINC000592071043 345318406 /nfs/dbraw/zinc/31/84/06/345318406.db2.gz CXAZVQQLYZJMMS-CVEARBPZSA-N 0 3 270.380 2.012 20 30 CEEDHN C=CCN1CCC(NC(=O)C2(C(F)(F)F)CC2)CC1 ZINC000592069049 345318624 /nfs/dbraw/zinc/31/86/24/345318624.db2.gz IAIPZFWRATWZQB-UHFFFAOYSA-N 0 3 276.302 2.096 20 30 CEEDHN C[C@H](NC(=O)[C@@]1(C#N)CCNC1)c1cc2ccccc2o1 ZINC000591590566 345267563 /nfs/dbraw/zinc/26/75/63/345267563.db2.gz KMJPJEUVUBQPJQ-MEDUHNTESA-N 0 3 283.331 2.113 20 30 CEEDHN C[C@@](O)(CN[C@H]1CCc2cc(C#N)ccc21)C(F)(F)F ZINC000591764288 345278238 /nfs/dbraw/zinc/27/82/38/345278238.db2.gz DJOHIOXGCPJJNO-QWHCGFSZSA-N 0 3 284.281 2.448 20 30 CEEDHN N#Cc1c2c(cnc1N[C@@H]1CCN(CC3CC3)C1)CCC2 ZINC000591819915 345284646 /nfs/dbraw/zinc/28/46/46/345284646.db2.gz VULAWONRAATEJX-CQSZACIVSA-N 0 3 282.391 2.338 20 30 CEEDHN CCN1C[C@H](Nc2ncc3c(c2C#N)CCC3)[C@@H](C)C1 ZINC000591821681 345285004 /nfs/dbraw/zinc/28/50/04/345285004.db2.gz SOHBEZAVPDJKFK-NHYWBVRUSA-N 0 3 270.380 2.194 20 30 CEEDHN C[C@H]1CC[C@H](C)N(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592499675 345360815 /nfs/dbraw/zinc/36/08/15/345360815.db2.gz ABXPQXVXSVCASD-RYUDHWBXSA-N 0 3 269.352 2.221 20 30 CEEDHN CC[C@@H](CSC)N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000592512913 345363086 /nfs/dbraw/zinc/36/30/86/345363086.db2.gz SJUCEKVUKMJDLL-ZDUSSCGKSA-N 0 3 289.408 2.174 20 30 CEEDHN N#CC[C@]1(O)CCN(Cc2cccc3cc[nH]c32)C1 ZINC000592521925 345365516 /nfs/dbraw/zinc/36/55/16/345365516.db2.gz DWOYHIABCKGSGK-HNNXBMFYSA-N 0 3 255.321 2.018 20 30 CEEDHN N#CC[C@]1(O)CCN(Cc2ccnc3ccccc23)C1 ZINC000592523260 345366125 /nfs/dbraw/zinc/36/61/25/345366125.db2.gz XMKOIALWCXZCGH-INIZCTEOSA-N 0 3 267.332 2.085 20 30 CEEDHN CCN(CCC#N)C(=O)CN(C)CCC(C)(C)C ZINC000592144853 345328133 /nfs/dbraw/zinc/32/81/33/345328133.db2.gz PHVJRYOIZCTJHV-UHFFFAOYSA-N 0 3 253.390 2.117 20 30 CEEDHN CCc1ccc(CN(CC(=O)NCC#N)CC(C)C)cc1 ZINC000592139023 345328638 /nfs/dbraw/zinc/32/86/38/345328638.db2.gz YNABLJYCMOQQTF-UHFFFAOYSA-N 0 3 287.407 2.347 20 30 CEEDHN N#CC[C@]1(O)CCN(CCCc2cccc(F)c2)C1 ZINC000592150402 345330400 /nfs/dbraw/zinc/33/04/00/345330400.db2.gz BRQMGYIHWFHHDC-HNNXBMFYSA-N 0 3 262.328 2.109 20 30 CEEDHN CCC(CC)(CCO)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593031121 345426270 /nfs/dbraw/zinc/42/62/70/345426270.db2.gz SRSYPOILSCQMEQ-UHFFFAOYSA-N 0 3 291.351 2.497 20 30 CEEDHN CCCN(C(=O)Cc1cccc(C#N)c1)[C@H]1CCN(C)C1 ZINC000592828046 345401185 /nfs/dbraw/zinc/40/11/85/345401185.db2.gz AJXKFLWGLZSLEU-INIZCTEOSA-N 0 3 285.391 2.043 20 30 CEEDHN CCCCN1CCCC[C@@H]1CNC(=O)[C@@H](C#N)CC ZINC000593444649 345488119 /nfs/dbraw/zinc/48/81/19/345488119.db2.gz SLHBFEORVICFGF-ZIAGYGMSSA-N 0 3 265.401 2.307 20 30 CEEDHN CC[C@H](C#N)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000593708901 345525889 /nfs/dbraw/zinc/52/58/89/345525889.db2.gz SBZSDOHNVHOBRF-BXUZGUMPSA-N 0 3 277.343 2.094 20 30 CEEDHN CCN1CCCC[C@@H]1C(=O)N1Cc2cccc(C#N)c2C1 ZINC000593890918 345549017 /nfs/dbraw/zinc/54/90/17/345549017.db2.gz JIQHZSZPNUVMSB-MRXNPFEDSA-N 0 3 283.375 2.275 20 30 CEEDHN CCC(C)(C)N1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000594020575 345567881 /nfs/dbraw/zinc/56/78/81/345567881.db2.gz IZDXMLIORJTPNO-CQSZACIVSA-N 0 3 262.401 2.236 20 30 CEEDHN CCC(C#N)C(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000593608582 345512763 /nfs/dbraw/zinc/51/27/63/345512763.db2.gz MSNCEZZEMVTFGA-NWDGAFQWSA-N 0 3 280.368 2.116 20 30 CEEDHN CCOC(=O)C[C@@](C)(NC(=O)C(C#N)CC)C(C)C ZINC000593615415 345513761 /nfs/dbraw/zinc/51/37/61/345513761.db2.gz BMMDHTZWSWROCP-SMDDNHRTSA-N 0 3 268.357 2.020 20 30 CEEDHN CCC(=O)N1CCC(NCC2(C#N)CCCC2)CC1 ZINC000593653101 345517339 /nfs/dbraw/zinc/51/73/39/345517339.db2.gz BWJMZCLQGAFGLA-UHFFFAOYSA-N 0 3 263.385 2.061 20 30 CEEDHN N#Cc1cnn2cc(CNC3(C4CCC4)CC3)cnc12 ZINC000593677200 345519461 /nfs/dbraw/zinc/51/94/61/345519461.db2.gz UHBWFFLZAQJLTA-UHFFFAOYSA-N 0 3 267.336 2.023 20 30 CEEDHN Cc1cc(C#N)cnc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594195298 345596784 /nfs/dbraw/zinc/59/67/84/345596784.db2.gz DZWQAXNVDUXLBU-LSDHHAIUSA-N 0 3 298.390 2.008 20 30 CEEDHN CCC(C#N)C(=O)N[C@H](CC(=O)OC(C)C)C(C)C ZINC000594401514 345621325 /nfs/dbraw/zinc/62/13/25/345621325.db2.gz DTWGFXSKUJXHNN-NWDGAFQWSA-N 0 3 268.357 2.019 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594415411 345623903 /nfs/dbraw/zinc/62/39/03/345623903.db2.gz ONCZAZVVIIYEMW-VXGBXAGGSA-N 0 3 250.342 2.096 20 30 CEEDHN COc1ccc(OC)c(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594424328 345625195 /nfs/dbraw/zinc/62/51/95/345625195.db2.gz AROJBRVMWVHKDD-GFCCVEGCSA-N 0 3 291.351 2.054 20 30 CEEDHN C[C@@H]1CCC[C@H](NC(=O)[C@H](N)CCCCC#N)C1 ZINC000594425924 345625842 /nfs/dbraw/zinc/62/58/42/345625842.db2.gz BPEFCIKUCZOXAE-FRRDWIJNSA-N 0 3 251.374 2.093 20 30 CEEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594427048 345626568 /nfs/dbraw/zinc/62/65/68/345626568.db2.gz SJTVHBIYTHKJKW-JSGCOSHPSA-N 0 3 259.353 2.275 20 30 CEEDHN CCCCN(C(=O)[C@@H](N)CCCCC#N)C1CC1 ZINC000594428059 345627328 /nfs/dbraw/zinc/62/73/28/345627328.db2.gz JJKHKROCIOHRMP-ZDUSSCGKSA-N 0 3 251.374 2.189 20 30 CEEDHN CN(CC1CCCCC1)C(=O)[C@H](N)CCCCC#N ZINC000594429899 345627635 /nfs/dbraw/zinc/62/76/35/345627635.db2.gz SJKJXNAKJBUYLU-CQSZACIVSA-N 0 3 265.401 2.436 20 30 CEEDHN CCOc1ccc(CNC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594429381 345628018 /nfs/dbraw/zinc/62/80/18/345628018.db2.gz SSQIHMOGVUMRMI-HNNXBMFYSA-N 0 3 289.379 2.113 20 30 CEEDHN Cc1c(NC(=O)[C@@H](N)CCCCC#N)cccc1N(C)C ZINC000594435285 345629728 /nfs/dbraw/zinc/62/97/28/345629728.db2.gz ALHMXDQGDYLOIV-ZDUSSCGKSA-N 0 3 288.395 2.411 20 30 CEEDHN CCN(CCC(F)(F)F)C(=O)[C@H](N)CCCCC#N ZINC000594435564 345630071 /nfs/dbraw/zinc/63/00/71/345630071.db2.gz CQHIKWOYQDIPPE-SNVBAGLBSA-N 0 3 279.306 2.199 20 30 CEEDHN Cc1cccc2c1N(C(=O)[C@H](N)CCCCC#N)CC2 ZINC000594437475 345630858 /nfs/dbraw/zinc/63/08/58/345630858.db2.gz NPFDKOOFWKXBFD-CQSZACIVSA-N 0 3 271.364 2.295 20 30 CEEDHN CSc1ccc(NC(=O)[C@@H](N)CCCCC#N)nc1 ZINC000594442041 345631429 /nfs/dbraw/zinc/63/14/29/345631429.db2.gz ZXVJGKGSAVIUTO-NSHDSACASA-N 0 3 278.381 2.153 20 30 CEEDHN CCc1ccccc1CNC(=O)[C@@H](N)CCCCC#N ZINC000594442234 345631502 /nfs/dbraw/zinc/63/15/02/345631502.db2.gz CCVJNQKLLKZDMY-HNNXBMFYSA-N 0 3 273.380 2.276 20 30 CEEDHN C[C@H](N(C)C(=O)[C@H](N)CCCCC#N)C1(C)CC1 ZINC000594445629 345632842 /nfs/dbraw/zinc/63/28/42/345632842.db2.gz JIPWESSBTGFGRI-NWDGAFQWSA-N 0 3 251.374 2.045 20 30 CEEDHN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594452800 345635174 /nfs/dbraw/zinc/63/51/74/345635174.db2.gz JJGQFVCDSNVDNO-RWMBFGLXSA-N 0 3 265.401 2.339 20 30 CEEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)C1CCC(F)(F)CC1 ZINC000594456013 345635402 /nfs/dbraw/zinc/63/54/02/345635402.db2.gz JVICRVXOOXVVDN-CMPLNLGQSA-N 0 3 287.354 2.338 20 30 CEEDHN N#Cc1ccnc(N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000594604435 345658116 /nfs/dbraw/zinc/65/81/16/345658116.db2.gz ZEPHEXCFPDOJMT-ZIAGYGMSSA-N 0 3 256.353 2.382 20 30 CEEDHN N#Cc1ccc(OC[C@H](O)CN2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000594714334 345676749 /nfs/dbraw/zinc/67/67/49/345676749.db2.gz NBSXMSJRAMPUKU-UXLLHSPISA-N 0 3 286.375 2.172 20 30 CEEDHN CC[C@H](C)CCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000594717797 345677626 /nfs/dbraw/zinc/67/76/26/345677626.db2.gz GZKFECDLCFVJSC-ZDUSSCGKSA-N 0 3 294.420 2.358 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC(c2ccco2)CC1 ZINC000595257776 345750442 /nfs/dbraw/zinc/75/04/42/345750442.db2.gz WQRXCBVUNJCTRF-CQSZACIVSA-N 0 3 289.379 2.397 20 30 CEEDHN N#CC1(CNC(=O)[C@H](CN)c2ccccc2)CCCCC1 ZINC000595257915 345750446 /nfs/dbraw/zinc/75/04/46/345750446.db2.gz CNAJSSRCVFQHPA-OAHLLOKOSA-N 0 3 285.391 2.319 20 30 CEEDHN N#CC1(c2ccc(CNCCn3cccn3)cc2)CC1 ZINC000594927679 345705120 /nfs/dbraw/zinc/70/51/20/345705120.db2.gz QGZMQSKAGFGDFA-UHFFFAOYSA-N 0 3 266.348 2.228 20 30 CEEDHN N#CC1(c2ccc(CNC3(CO)CCC3)cc2)CC1 ZINC000594932346 345707600 /nfs/dbraw/zinc/70/76/00/345707600.db2.gz ZRTNJAVMIVXKBL-UHFFFAOYSA-N 0 3 256.349 2.246 20 30 CEEDHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000594940154 345710590 /nfs/dbraw/zinc/71/05/90/345710590.db2.gz IPDMVBVGWZDLPM-OASPWFOLSA-N 0 3 292.766 2.499 20 30 CEEDHN N#Cc1ccc(CNC[C@H](CO)CC2CC2)s1 ZINC000594984501 345721486 /nfs/dbraw/zinc/72/14/86/345721486.db2.gz VTADCEPGZFTFKL-LLVKDONJSA-N 0 3 250.367 2.118 20 30 CEEDHN COC1(CNCC2(C#N)CCCCC2)CCOCC1 ZINC000594981225 345721568 /nfs/dbraw/zinc/72/15/68/345721568.db2.gz LGCUBRLXSWZOPH-UHFFFAOYSA-N 0 3 266.385 2.246 20 30 CEEDHN C=CCCSCCNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000595551058 345809853 /nfs/dbraw/zinc/80/98/53/345809853.db2.gz KNZMAIQSONCWMA-AWEZNQCLSA-N 0 3 299.484 2.469 20 30 CEEDHN N#CC[C@@]1(O)CCN(CC[C@@H]2CCc3ccccc32)C1 ZINC000595556298 345812086 /nfs/dbraw/zinc/81/20/86/345812086.db2.gz BSKPDLVUBZFENV-DOTOQJQBSA-N 0 3 270.376 2.457 20 30 CEEDHN CS[C@@H]1CN([C@@H](C#N)c2ccccc2)C[C@@H]1N(C)C ZINC000595403249 345774657 /nfs/dbraw/zinc/77/46/57/345774657.db2.gz JGAYHNAMKLPHIA-SOUVJXGZSA-N 0 3 275.421 2.229 20 30 CEEDHN C=CCN1CCC(NC(=O)NCC2(SCC)CC2)CC1 ZINC000595518097 345802074 /nfs/dbraw/zinc/80/20/74/345802074.db2.gz ZHGFOEJUWRPZPQ-UHFFFAOYSA-N 0 3 297.468 2.222 20 30 CEEDHN C=CCN(CCOc1cccc([N+](=O)[O-])c1)[C@H](C)COC ZINC000595647902 345837576 /nfs/dbraw/zinc/83/75/76/345837576.db2.gz RZSRZDMTIHVMSF-CYBMUJFWSA-N 0 3 294.351 2.497 20 30 CEEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000595661305 345840998 /nfs/dbraw/zinc/84/09/98/345840998.db2.gz YFTZCQSZXQRGDQ-UONOGXRCSA-N 0 3 263.385 2.035 20 30 CEEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@H](C2CCC2)C1 ZINC000595838225 345893701 /nfs/dbraw/zinc/89/37/01/345893701.db2.gz UBLNCURFGPMNBP-DZGCQCFKSA-N 0 3 277.412 2.259 20 30 CEEDHN C=CCN(CC(=O)NCc1cccc(C#N)c1)C(C)(C)C ZINC000595762562 345870246 /nfs/dbraw/zinc/87/02/46/345870246.db2.gz AMCQBHUNUCHCQL-UHFFFAOYSA-N 0 3 285.391 2.461 20 30 CEEDHN COC(=O)[C@H]1C[C@@H](N(C)Cc2ccc(C#N)c(C)c2)C1 ZINC000595856196 345898503 /nfs/dbraw/zinc/89/85/03/345898503.db2.gz KGBBXFJMFMMFMA-GASCZTMLSA-N 0 3 272.348 2.250 20 30 CEEDHN C[C@](C#N)(NC(=O)CN(CCC1CC1)CC1CC1)C1CC1 ZINC000595872300 345903193 /nfs/dbraw/zinc/90/31/93/345903193.db2.gz UXEPZRWIXSDZMQ-QGZVFWFLSA-N 0 3 289.423 2.307 20 30 CEEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000595945554 345916870 /nfs/dbraw/zinc/91/68/70/345916870.db2.gz GKRXDCLYVOEFRP-GJZGRUSLSA-N 0 3 277.412 2.436 20 30 CEEDHN C[C@@H]1[C@H](C)NCCN1C(=O)CC1(C#N)CCCCC1 ZINC000595948756 345917473 /nfs/dbraw/zinc/91/74/73/345917473.db2.gz AYISYKREMTXWKM-QWHCGFSZSA-N 0 3 263.385 2.059 20 30 CEEDHN C[C@H](C(=O)N1CC[C@@](C)(C#N)C1)[C@@H](N)c1ccccc1 ZINC000595982006 345920709 /nfs/dbraw/zinc/92/07/09/345920709.db2.gz RDVVNQKYNQVAJK-BJJXKVORSA-N 0 3 271.364 2.085 20 30 CEEDHN C[C@]1(F)CNCCN(c2cccc(Cl)c2C#N)C1 ZINC000596014061 345923141 /nfs/dbraw/zinc/92/31/41/345923141.db2.gz LQQJWKWHNJTGMR-ZDUSSCGKSA-N 0 3 267.735 2.349 20 30 CEEDHN CCN1C[C@H](C)N(c2nc3ncccc3cc2C#N)C[C@@H]1C ZINC000596176231 345960759 /nfs/dbraw/zinc/96/07/59/345960759.db2.gz BMAHWJRAGUXMNS-STQMWFEESA-N 0 3 295.390 2.420 20 30 CEEDHN Cc1ccc(C#N)nc1NC1CCN(C2CC2)CC1 ZINC000596065894 345931755 /nfs/dbraw/zinc/93/17/55/345931755.db2.gz KENKMBQYVIVDHT-UHFFFAOYSA-N 0 3 256.353 2.300 20 30 CEEDHN CN1CCC[C@@H]1CNc1nc2ncccc2cc1C#N ZINC000596090261 345937102 /nfs/dbraw/zinc/93/71/02/345937102.db2.gz AKEJMQMKHNCFAT-CYBMUJFWSA-N 0 3 267.336 2.008 20 30 CEEDHN CCN(CC)[C@@H](CNc1c(C#N)cnn1C)c1ccco1 ZINC000596091676 345937943 /nfs/dbraw/zinc/93/79/43/345937943.db2.gz CBGDZQCHWMEBMS-ZDUSSCGKSA-N 0 3 287.367 2.380 20 30 CEEDHN N#CCCCC[C@@H](N)C(=O)N1CCC2(CCC2)CC1 ZINC000596577387 346059027 /nfs/dbraw/zinc/05/90/27/346059027.db2.gz FSCOKETUKAAUSD-CYBMUJFWSA-N 0 3 263.385 2.190 20 30 CEEDHN CCN1CCC(NC(=O)CC2(C#N)CCCCC2)CC1 ZINC000596673572 346075859 /nfs/dbraw/zinc/07/58/59/346075859.db2.gz KBMDCYQZTJQREB-UHFFFAOYSA-N 0 3 277.412 2.451 20 30 CEEDHN C=CCCSCCNC(=O)N(C)CCN(C)C1CC1 ZINC000596717650 346079746 /nfs/dbraw/zinc/07/97/46/346079746.db2.gz NXOPGQPZCSMJFQ-UHFFFAOYSA-N 0 3 285.457 2.031 20 30 CEEDHN C=CCCSCCNC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000596719544 346080133 /nfs/dbraw/zinc/08/01/33/346080133.db2.gz VVFXCYRNHOXZBE-AWEZNQCLSA-N 0 3 299.484 2.421 20 30 CEEDHN C=CCCSCCNC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000596721282 346080230 /nfs/dbraw/zinc/08/02/30/346080230.db2.gz GIFRBWRPUHGSOW-AWEZNQCLSA-N 0 3 299.484 2.279 20 30 CEEDHN CCN(C(=O)Nc1cccc(C#N)c1C)[C@H]1CCN(C)C1 ZINC000596802577 346091755 /nfs/dbraw/zinc/09/17/55/346091755.db2.gz CCSCUPZCMGVXGB-AWEZNQCLSA-N 0 3 286.379 2.425 20 30 CEEDHN CC1(C)Cc2n[nH]cc2CN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000596597680 346062692 /nfs/dbraw/zinc/06/26/92/346062692.db2.gz XCQIAIFITWZOPW-DGCLKSJQSA-N 0 3 258.369 2.486 20 30 CEEDHN N#CC1(c2ccc(CN3CCC[C@H](CO)C3)cc2)CC1 ZINC000596975027 346111296 /nfs/dbraw/zinc/11/12/96/346111296.db2.gz OJBFTSNSMVFNRW-HNNXBMFYSA-N 0 3 270.376 2.446 20 30 CEEDHN N#CC1(c2ccc(CN3CCC[C@@H](O)C3)cc2)CC1 ZINC000596977349 346111771 /nfs/dbraw/zinc/11/17/71/346111771.db2.gz KBFMLIUCNLBMQA-OAHLLOKOSA-N 0 3 256.349 2.198 20 30 CEEDHN COc1cc(CN2CCC[C@@](O)(C3CC3)C2)ccc1C#N ZINC000597204060 346148048 /nfs/dbraw/zinc/14/80/48/346148048.db2.gz BYZZJOZTPGNYER-KRWDZBQOSA-N 0 3 286.375 2.304 20 30 CEEDHN C=CCOc1ccc(CN[C@H]2C[C@H](C(=O)OC)C2)cc1 ZINC000597242689 346159908 /nfs/dbraw/zinc/15/99/08/346159908.db2.gz FBJNRIYIQVHRFR-HDJSIYSDSA-N 0 3 275.348 2.293 20 30 CEEDHN CCCN(CCN1CCCCC1)C(=O)[C@@H](C)CC#N ZINC000597648911 346211318 /nfs/dbraw/zinc/21/13/18/346211318.db2.gz SHBVSWMEZGUEGN-AWEZNQCLSA-N 0 3 265.401 2.261 20 30 CEEDHN CC[C@@H](NCc1ccc(OC)c(C#N)c1)[C@H](O)C(F)F ZINC000295130617 199362310 /nfs/dbraw/zinc/36/23/10/199362310.db2.gz XXNPYIRCBMSBNI-YPMHNXCESA-N 0 3 284.306 2.061 20 30 CEEDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(C#N)cc1 ZINC000597856819 346238929 /nfs/dbraw/zinc/23/89/29/346238929.db2.gz ARONLWMLVLJHJA-AWEZNQCLSA-N 0 3 271.364 2.161 20 30 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186099481 /nfs/dbraw/zinc/09/94/81/186099481.db2.gz GGLUFCXCZNPTBK-UHFFFAOYSA-N 0 3 298.390 2.333 20 30 CEEDHN CC(C)[C@@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)N(C)C ZINC000106904817 186149120 /nfs/dbraw/zinc/14/91/20/186149120.db2.gz YXIPTOCCJLFPAJ-DOMZBBRYSA-N 0 3 273.380 2.322 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000107072055 186159198 /nfs/dbraw/zinc/15/91/98/186159198.db2.gz LUNRVKNHBFSEPH-UONOGXRCSA-N 0 3 258.365 2.092 20 30 CEEDHN COCC#CCN(Cc1ccccc1)C1(CO)CCCC1 ZINC000625454639 350504558 /nfs/dbraw/zinc/50/45/58/350504558.db2.gz BTGFJFBITPLFEZ-UHFFFAOYSA-N 0 3 287.403 2.444 20 30 CEEDHN C=CC[C@H]1CCCN(CC(=O)NCC(C)(C)C)C1 ZINC000625535120 350521711 /nfs/dbraw/zinc/52/17/11/350521711.db2.gz KDGVNLQATKDNGV-ZDUSSCGKSA-N 0 3 252.402 2.437 20 30 CEEDHN C=CC[C@@H]1CCCN(CC(=O)NCC(C)(C)C)C1 ZINC000625535118 350522010 /nfs/dbraw/zinc/52/20/10/350522010.db2.gz KDGVNLQATKDNGV-CYBMUJFWSA-N 0 3 252.402 2.437 20 30 CEEDHN N#Cc1ccsc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000107600626 186181490 /nfs/dbraw/zinc/18/14/90/186181490.db2.gz HHRGLFVIGUHGDT-CYBMUJFWSA-N 0 3 289.404 2.320 20 30 CEEDHN C=CC[C@@H]1CCN(Cc2cc(=O)n3ccccc3n2)C1 ZINC000625705679 350551700 /nfs/dbraw/zinc/55/17/00/350551700.db2.gz XDISBQRVYYPSOL-CYBMUJFWSA-N 0 3 269.348 2.093 20 30 CEEDHN CN1CCC[C@@H](CNC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000108499259 186219820 /nfs/dbraw/zinc/21/98/20/186219820.db2.gz CXCZYDRRVKEKDC-AWEZNQCLSA-N 0 3 286.379 2.216 20 30 CEEDHN C=CC[C@@H](C)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625943344 350611203 /nfs/dbraw/zinc/61/12/03/350611203.db2.gz WUDIRQYRIHDJNC-LLVKDONJSA-N 0 3 275.352 2.255 20 30 CEEDHN C=CCOCCN[C@@H](c1ccc(OC)nc1)C1CC1 ZINC000626181219 350679675 /nfs/dbraw/zinc/67/96/75/350679675.db2.gz YTPQZDOEQUAUBJ-OAHLLOKOSA-N 0 3 262.353 2.334 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C=C)CC1 ZINC000111260128 186380257 /nfs/dbraw/zinc/38/02/57/186380257.db2.gz SHWWMWBMMTXFSI-AWEZNQCLSA-N 0 3 262.397 2.474 20 30 CEEDHN C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000628965142 351227952 /nfs/dbraw/zinc/22/79/52/351227952.db2.gz ZNRKXDWKLDOXGE-RDJZCZTQSA-N 0 3 294.439 2.348 20 30 CEEDHN C[C@H]1CSCCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000070219835 363058317 /nfs/dbraw/zinc/05/83/17/363058317.db2.gz IDDFBBOLLOZDJH-LBPRGKRZSA-N 0 3 289.404 2.324 20 30 CEEDHN C=CCN1CC[C@H](N(C)[C@@H]2CCC[C@H](C)C2)C1=O ZINC000337121321 366027201 /nfs/dbraw/zinc/02/72/01/366027201.db2.gz AELSBEIQHOUTTE-MJBXVCDLSA-N 0 3 250.386 2.284 20 30 CEEDHN C[C@H](c1ccco1)N(C)CCC(=O)N(C)CCC#N ZINC000131333462 366043067 /nfs/dbraw/zinc/04/30/67/366043067.db2.gz ISRVKKARHNFGGW-GFCCVEGCSA-N 0 3 263.341 2.035 20 30 CEEDHN C=CCN1CC[C@@H](N2CCC[C@@H](C(C)C)C2)C1=O ZINC000337182928 366058385 /nfs/dbraw/zinc/05/83/85/366058385.db2.gz BMPKBQFXFAEQRJ-ZIAGYGMSSA-N 0 3 250.386 2.141 20 30 CEEDHN C=CCN1CC[C@H](N(C[C@H]2CCCO2)C2CCCC2)C1=O ZINC000337180512 366058610 /nfs/dbraw/zinc/05/86/10/366058610.db2.gz MCGMXCWJVNAFGI-CVEARBPZSA-N 0 3 292.423 2.197 20 30 CEEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@@H](C)CN1C ZINC000337197110 366068142 /nfs/dbraw/zinc/06/81/42/366068142.db2.gz YDGVCZTULGNTQG-CABCVRRESA-N 0 3 279.428 2.111 20 30 CEEDHN CN1CCN(CCCC2(C#N)CCOCC2)C(C)(C)C1 ZINC000337197859 366070238 /nfs/dbraw/zinc/07/02/38/366070238.db2.gz YZKFUUJTBJJKEL-UHFFFAOYSA-N 0 3 279.428 2.113 20 30 CEEDHN N#Cc1ccc2ncc(CN[C@@H]3CC[C@H](F)C3)n2c1 ZINC000336493232 213365816 /nfs/dbraw/zinc/36/58/16/213365816.db2.gz OFLPRCORATYYDQ-NWDGAFQWSA-N 0 3 258.300 2.186 20 30 CEEDHN C=CCN1CC[C@H](N2CC[C@@]3(CC[C@H](C)C3)C2)C1=O ZINC000337207879 366077389 /nfs/dbraw/zinc/07/73/89/366077389.db2.gz PLTHGGVCLFKAKB-OFQRWUPVSA-N 0 3 262.397 2.285 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000123321839 187084927 /nfs/dbraw/zinc/08/49/27/187084927.db2.gz QVADJKDDUBJXCX-OAHLLOKOSA-N 0 3 285.391 2.281 20 30 CEEDHN Cc1nc(N2CCCN(C(C)C)CC2)ccc1C#N ZINC000291968571 198120134 /nfs/dbraw/zinc/12/01/34/198120134.db2.gz OSIAQSLESROXEW-UHFFFAOYSA-N 0 3 258.369 2.182 20 30 CEEDHN C=CCCC[C@H](C)NCc1cn(C[C@@H]2CCOC2)nn1 ZINC000631108990 351967332 /nfs/dbraw/zinc/96/73/32/351967332.db2.gz WQOFTZDCYGCKGG-KBPBESRZSA-N 0 3 278.400 2.149 20 30 CEEDHN C=C1CC(C)(C(=O)N(C)C[C@H]2CCCN(C)C2)C1 ZINC000631322351 352069594 /nfs/dbraw/zinc/06/95/94/352069594.db2.gz VKWRZPQZQYZLTJ-ZDUSSCGKSA-N 0 3 250.386 2.143 20 30 CEEDHN C=CCN(C[C@@H](O)COc1cccc(C)c1)C1CC1 ZINC000271532262 191196478 /nfs/dbraw/zinc/19/64/78/191196478.db2.gz XLUNTUPRARWUEU-OAHLLOKOSA-N 0 3 261.365 2.385 20 30 CEEDHN Cc1cc(C#N)ccc1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292384969 198268452 /nfs/dbraw/zinc/26/84/52/198268452.db2.gz XRTFRBKOQLWHSM-QGZVFWFLSA-N 0 3 283.375 2.035 20 30 CEEDHN CC#CCC[NH+]1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000156511147 188266085 /nfs/dbraw/zinc/26/60/85/188266085.db2.gz GKBWHDDCAIIELO-UHFFFAOYSA-N 0 3 286.375 2.456 20 30 CEEDHN C=CCOc1ccccc1CNC(=O)[C@H]1CCCCN1 ZINC000157590176 188326599 /nfs/dbraw/zinc/32/65/99/188326599.db2.gz SNZOVELWBOBSMH-CQSZACIVSA-N 0 3 274.364 2.010 20 30 CEEDHN C[C@H](N[C@H]1CCOC1(C)C)C(=O)Nc1ccccc1C#N ZINC000295234021 199414995 /nfs/dbraw/zinc/41/49/95/199414995.db2.gz OPRAFXNYVFKGMA-FZMZJTMJSA-N 0 3 287.363 2.042 20 30 CEEDHN N#Cc1ccc(CN[C@H]2CCC[C@H]2OC(F)F)o1 ZINC000337307086 366137794 /nfs/dbraw/zinc/13/77/94/366137794.db2.gz SDGKJRJGMJKUHI-WDEREUQCSA-N 0 3 256.252 2.401 20 30 CEEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)C[C@@H]2CC)CC1 ZINC000074132439 363298377 /nfs/dbraw/zinc/29/83/77/363298377.db2.gz CZQGKZGWSRRPOT-ZFWWWQNUSA-N 0 3 279.428 2.467 20 30 CEEDHN C=CCCN1CCN(Cc2csc(CC)n2)CC1 ZINC000132611195 366158259 /nfs/dbraw/zinc/15/82/59/366158259.db2.gz RDZXRFSYVHAUEI-UHFFFAOYSA-N 0 3 265.426 2.399 20 30 CEEDHN C=CCNC(=O)CN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000133303486 366211386 /nfs/dbraw/zinc/21/13/86/366211386.db2.gz RXBMBPCKINUZQG-LSDHHAIUSA-N 0 3 258.365 2.215 20 30 CEEDHN N#CC1(c2ccccc2)CC(NC[C@@H]2CCC[C@H]2O)C1 ZINC000089164819 283049591 /nfs/dbraw/zinc/04/95/91/283049591.db2.gz GHNWJVZFWZDJPP-MHABSNSOSA-N 0 3 270.376 2.361 20 30 CEEDHN CC(C)C[C@@H]1COCCN1CCCSCC#N ZINC000074990954 363431362 /nfs/dbraw/zinc/43/13/62/363431362.db2.gz YACIYLZYTNXWBA-CYBMUJFWSA-N 0 3 256.415 2.380 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)CCc2ccco2)CC1 ZINC000171729717 188756349 /nfs/dbraw/zinc/75/63/49/188756349.db2.gz NQKSGQVZWKTGGH-UHFFFAOYSA-N 0 3 276.380 2.369 20 30 CEEDHN N#Cc1c(F)cccc1N1CCCN(C2CC2)CC1 ZINC000170640074 283075866 /nfs/dbraw/zinc/07/58/66/283075866.db2.gz WLWIHUKLDYWSJB-UHFFFAOYSA-N 0 3 259.328 2.372 20 30 CEEDHN N#Cc1cccc(C2(NCC[C@@H]3CCOC3=O)CC2)c1 ZINC000271821970 191349607 /nfs/dbraw/zinc/34/96/07/191349607.db2.gz SIMHHHMNHQVTCK-CYBMUJFWSA-N 0 3 270.332 2.090 20 30 CEEDHN CC(C#N)C(=O)NCCOCc1ccc(Cl)cc1 ZINC000338266842 366261917 /nfs/dbraw/zinc/26/19/17/366261917.db2.gz MXBVEKSNIGKHMZ-SNVBAGLBSA-N 0 3 266.728 2.132 20 30 CEEDHN C=CCCCN(C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000076735615 363544854 /nfs/dbraw/zinc/54/48/54/363544854.db2.gz YPIBCNFTYMNCPL-UKRRQHHQSA-N 0 3 265.401 2.327 20 30 CEEDHN N#Cc1cccnc1N1CCC[C@H]1CN1CCCCC1 ZINC000160452408 283218092 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CC[C@@H]1CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000340691434 366991453 /nfs/dbraw/zinc/99/14/53/366991453.db2.gz NZIROSJESULOKR-OAHLLOKOSA-N 0 3 271.364 2.049 20 30 CEEDHN CC(C)CN1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000160583239 367020051 /nfs/dbraw/zinc/02/00/51/367020051.db2.gz AOHUPICQNREJDQ-UHFFFAOYSA-N 0 3 275.371 2.471 20 30 CEEDHN C#CCCCCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000160640558 367024460 /nfs/dbraw/zinc/02/44/60/367024460.db2.gz IVSUNYOUUZZZLP-UHFFFAOYSA-N 0 3 287.407 2.351 20 30 CEEDHN CC(C)[C@@H](NC(=O)C(C)C#N)c1nc(-c2cccnc2)no1 ZINC000357896179 370833824 /nfs/dbraw/zinc/83/38/24/370833824.db2.gz UIMYWVZEYUVBBT-ZYHUDNBSSA-N 0 3 299.334 2.105 20 30 CEEDHN C[C@H](C#N)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000357803911 370828982 /nfs/dbraw/zinc/82/89/82/370828982.db2.gz WZDPGISIQIGNEF-GDBMZVCRSA-N 0 3 285.391 2.317 20 30 CEEDHN C[C@@H]1C[C@@H](N(C)C(=O)CCCCCC#N)CCN1C ZINC000588382447 367193856 /nfs/dbraw/zinc/19/38/56/367193856.db2.gz SWTBBFAACGFBNX-KGLIPLIRSA-N 0 3 265.401 2.402 20 30 CEEDHN 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C=CCN1CCC(NC(=O)NCCc2ccsc2)CC1 ZINC000171712618 367601144 /nfs/dbraw/zinc/60/11/44/367601144.db2.gz ZQZSPEATSBENNY-UHFFFAOYSA-N 0 3 293.436 2.240 20 30 CEEDHN C=CCN1CCC(NC(=O)Cc2ccc(C)cc2)CC1 ZINC000171723836 367602343 /nfs/dbraw/zinc/60/23/43/367602343.db2.gz BYRFUSAIWMCACA-UHFFFAOYSA-N 0 3 272.392 2.304 20 30 CEEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC000572497537 299374511 /nfs/dbraw/zinc/37/45/11/299374511.db2.gz SWDGGEYPGKKYIF-UKRRQHHQSA-N 0 3 293.374 2.018 20 30 CEEDHN Cc1cc(NCCCN2CCCO[C@H](C)C2)cc(C#N)n1 ZINC000343229980 367714600 /nfs/dbraw/zinc/71/46/00/367714600.db2.gz MCLVJQBBFBNJEP-CQSZACIVSA-N 0 3 288.395 2.175 20 30 CEEDHN C=CCOc1ccccc1C(=O)N(C)CCN1CCCC1 ZINC000343496854 367846961 /nfs/dbraw/zinc/84/69/61/367846961.db2.gz WYXKRWJQXLBEPP-UHFFFAOYSA-N 0 3 288.391 2.419 20 30 CEEDHN C=CCN1CC[C@@H](N(C)C[C@H](C)CC2CCOCC2)C1=O ZINC000343626281 367924932 /nfs/dbraw/zinc/92/49/32/367924932.db2.gz SRSKMGBFSLEPFV-GDBMZVCRSA-N 0 3 294.439 2.158 20 30 CEEDHN C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCCN1CCC ZINC000343563033 367886971 /nfs/dbraw/zinc/88/69/71/367886971.db2.gz GADLWXPTKIZZAL-GDBMZVCRSA-N 0 3 282.428 2.206 20 30 CEEDHN Cc1cccc(C(=O)NCCNCc2cc(C#N)cs2)c1 ZINC000343649376 367937783 /nfs/dbraw/zinc/93/77/83/367937783.db2.gz YKSBYYGFQNAFHM-UHFFFAOYSA-N 0 3 299.399 2.448 20 30 CEEDHN C=C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000633106458 368059191 /nfs/dbraw/zinc/05/91/91/368059191.db2.gz JZSFTXZDTAZBLG-HOCLYGCPSA-N 0 3 287.407 2.443 20 30 CEEDHN C=CCCC(C)(C)CNC(=O)N[C@H](CN)C(F)(F)F ZINC000632955964 368004192 /nfs/dbraw/zinc/00/41/92/368004192.db2.gz SCYRYELXYPBPCB-SECBINFHSA-N 0 3 281.322 2.168 20 30 CEEDHN CN(CCCNC(=O)c1cc(C#N)c[nH]1)Cc1ccccc1 ZINC000175131750 368103752 /nfs/dbraw/zinc/10/37/52/368103752.db2.gz NTWSMDYEFHWOFU-UHFFFAOYSA-N 0 3 296.374 2.138 20 30 CEEDHN CCN(CCC#N)C(=O)CN1C[C@H](C)CC(C)(C)C1 ZINC000344050552 368104506 /nfs/dbraw/zinc/10/45/06/368104506.db2.gz HOUZNBBLHSYFSW-CYBMUJFWSA-N 0 3 265.401 2.117 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@](C)(CC)C1 ZINC000344225769 368115118 /nfs/dbraw/zinc/11/51/18/368115118.db2.gz FEHJBXSIKACPLR-ZFWWWQNUSA-N 0 3 265.401 2.117 20 30 CEEDHN C=CCCNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000633346621 368203229 /nfs/dbraw/zinc/20/32/29/368203229.db2.gz MUGHUYGVHXRHPY-MRXNPFEDSA-N 0 3 287.407 2.445 20 30 CEEDHN C=C1CC(C)(C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000633689057 368368823 /nfs/dbraw/zinc/36/88/23/368368823.db2.gz ZOINXNOJEVOILW-CQSZACIVSA-N 0 3 262.397 2.476 20 30 CEEDHN C=CCCC[C@H](C)NC(=O)N1CCC[C@H](N(C)C)C1 ZINC000181094319 368420907 /nfs/dbraw/zinc/42/09/07/368420907.db2.gz XWKAQUCCLOWFOZ-KBPBESRZSA-N 0 3 267.417 2.467 20 30 CEEDHN N#CC(C(=O)c1cnn(CC2CC2)c1)c1ccccn1 ZINC000633900536 368455406 /nfs/dbraw/zinc/45/54/06/368455406.db2.gz QTPFPGBCTLBRDW-ZDUSSCGKSA-N 0 3 266.304 2.178 20 30 CEEDHN C=CCNC(=O)CN[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181869816 368502985 /nfs/dbraw/zinc/50/29/85/368502985.db2.gz ALKDOUDZTRQKBX-AWEZNQCLSA-N 0 3 287.407 2.240 20 30 CEEDHN CC(C)COC[C@@H](O)CN[C@H](C)c1cccc(C#N)c1 ZINC000181976601 368512054 /nfs/dbraw/zinc/51/20/54/368512054.db2.gz WPBWZDQAHROJTD-CJNGLKHVSA-N 0 3 276.380 2.242 20 30 CEEDHN C[C@H](CN(C)C)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000346146729 368561408 /nfs/dbraw/zinc/56/14/08/368561408.db2.gz VYYHUHZQRBRHED-LLVKDONJSA-N 0 3 291.370 2.041 20 30 CEEDHN CC(C#N)C(=O)NCc1coc(-c2ccccc2)n1 ZINC000346236504 368601310 /nfs/dbraw/zinc/60/13/10/368601310.db2.gz HWHRHYGFKVJOAI-JTQLQIEISA-N 0 3 255.277 2.117 20 30 CEEDHN COc1ccc(C#N)cc1CN1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000330588236 203005895 /nfs/dbraw/zinc/00/58/95/203005895.db2.gz XOJYQOCXIRMWPC-ZWNOBZJWSA-N 0 3 273.336 2.170 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1C1CCC1 ZINC000246012791 370899605 /nfs/dbraw/zinc/89/96/05/370899605.db2.gz KXPDHRFNVXFASF-HIFRSBDPSA-N 0 3 277.412 2.259 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](C)[C@H](C)C1 ZINC000246064757 370904510 /nfs/dbraw/zinc/90/45/10/370904510.db2.gz YSPRQRVVTIUDLM-ZIAGYGMSSA-N 0 3 250.386 2.165 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256.349 2.317 20 30 CEEDHN C=C(CC)CN(C)C[C@@H]1C[C@@H](F)CN1Cc1ccnn1C ZINC000348112456 368902600 /nfs/dbraw/zinc/90/26/00/368902600.db2.gz FWNRNDFVXVCGTD-ZBFHGGJFSA-N 0 3 294.418 2.231 20 30 CEEDHN C=CCN(CC=C)CCC(=O)N1CCOc2ccccc21 ZINC000348268520 368977808 /nfs/dbraw/zinc/97/78/08/368977808.db2.gz CTSSBKRGKWHYTE-UHFFFAOYSA-N 0 3 286.375 2.476 20 30 CEEDHN COc1ccc(C#N)cc1CN[C@H]1CCC[C@H]1CCO ZINC000348159324 368925766 /nfs/dbraw/zinc/92/57/66/368925766.db2.gz MSJDPPFGEFKLOL-ZFWWWQNUSA-N 0 3 274.364 2.208 20 30 CEEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000186281794 368950052 /nfs/dbraw/zinc/95/00/52/368950052.db2.gz FTFWUBAKUYKRTA-RDJZCZTQSA-N 0 3 299.418 2.273 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1CCN(CC(C)(C)O)CC1 ZINC000186282754 368950614 /nfs/dbraw/zinc/95/06/14/368950614.db2.gz JALMQPYJJXINAB-CQSZACIVSA-N 0 3 287.407 2.008 20 30 CEEDHN C=CCN(CC=C)C(=O)CN[C@H]1CCCO[C@@H]1CC(C)C ZINC000186345967 368959914 /nfs/dbraw/zinc/95/99/14/368959914.db2.gz 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C#CCCCN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000271046391 373088267 /nfs/dbraw/zinc/08/82/67/373088267.db2.gz OJYKKJNZANOTKV-UHFFFAOYSA-N 0 3 277.799 2.266 20 30 CEEDHN C#CCCCN1CCN(Cc2cccc(F)c2)CC1 ZINC000271050538 373092775 /nfs/dbraw/zinc/09/27/75/373092775.db2.gz PSCJAYWGLSRMJJ-UHFFFAOYSA-N 0 3 260.356 2.357 20 30 CEEDHN C#CCCCN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000271063516 373101351 /nfs/dbraw/zinc/10/13/51/373101351.db2.gz TWNKFODDFAPRPQ-UHFFFAOYSA-N 0 3 288.366 2.387 20 30 CEEDHN C[C@@H](CN1CCCC1=O)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271927280 373218212 /nfs/dbraw/zinc/21/82/12/373218212.db2.gz JPBLCASGZQCTQI-RYUDHWBXSA-N 0 3 289.354 2.359 20 30 CEEDHN CS[C@H](CO)[C@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000271815561 373203769 /nfs/dbraw/zinc/20/37/69/373203769.db2.gz BLISKZMBEVKQSP-TYNCELHUSA-N 0 3 294.420 2.352 20 30 CEEDHN C/C=C\C[C@H](CO)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353582528 220171226 /nfs/dbraw/zinc/17/12/26/220171226.db2.gz SDDMVZIKOBBHCS-AKBQLVTESA-N 0 3 256.349 2.462 20 30 CEEDHN 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CC[C@H]1[C@@H](CO)CCN1Cc1ccc(C#N)c(OC)c1 ZINC000385651016 375238856 /nfs/dbraw/zinc/23/88/56/375238856.db2.gz LASXPXYMPGXAAD-CABCVRRESA-N 0 3 274.364 2.160 20 30 CEEDHN CC[C@H]1[C@@H](CO)CCN1CCOc1ccccc1C#N ZINC000385710152 375240411 /nfs/dbraw/zinc/24/04/11/375240411.db2.gz QUTDKPIYDOARDY-CABCVRRESA-N 0 3 274.364 2.030 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cn(C(C)(C)C)nn1 ZINC000280554747 375243784 /nfs/dbraw/zinc/24/37/84/375243784.db2.gz FGOXWZNGONFLMN-JSGCOSHPSA-N 0 3 278.400 2.104 20 30 CEEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000280645393 375271296 /nfs/dbraw/zinc/27/12/96/375271296.db2.gz JAUFFFYNVRXNQW-MLGOLLRUSA-N 0 3 277.364 2.472 20 30 CEEDHN O[C@@H]1CC[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]2C1 ZINC000398746582 375352867 /nfs/dbraw/zinc/35/28/67/375352867.db2.gz SMSCRGMXZMXYHX-IXDOHACOSA-N 0 3 255.361 2.131 20 30 CEEDHN C=CCN1CC[C@@H](N(C)CCCc2ccccc2)C1=O ZINC000281136649 375359261 /nfs/dbraw/zinc/35/92/61/375359261.db2.gz AGPXETYQVUZYSZ-MRXNPFEDSA-N 0 3 272.392 2.338 20 30 CEEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000414310013 375829090 /nfs/dbraw/zinc/82/90/90/375829090.db2.gz VOVIBBDGDPSWOI-JKSUJKDBSA-N 0 3 293.432 2.341 20 30 CEEDHN N#CCC1(CNC(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000415893853 376029131 /nfs/dbraw/zinc/02/91/31/376029131.db2.gz LEURUZSEWJDRPQ-UHFFFAOYSA-N 0 3 284.363 2.148 20 30 CEEDHN C=C[C@H](CO)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000289664161 376436025 /nfs/dbraw/zinc/43/60/25/376436025.db2.gz GVFDDAVJRIQHLX-DGCLKSJQSA-N 0 3 289.379 2.168 20 30 CEEDHN C=CCCCCCN1C[C@@H](C)N(CCO)C[C@H]1C ZINC000419339697 376445692 /nfs/dbraw/zinc/44/56/92/376445692.db2.gz MLYFCSWHFQVRQY-HUUCEWRRSA-N 0 3 254.418 2.120 20 30 CEEDHN C=CCNC(=O)CN1CC[C@H](c2ccccc2C)C1 ZINC000263776890 190078228 /nfs/dbraw/zinc/07/82/28/190078228.db2.gz XQHGOBQIXGSLBB-AWEZNQCLSA-N 0 3 258.365 2.087 20 30 CEEDHN COc1ccc(CNCCc2nnc(C)s2)cc1C#N ZINC000289706010 376456201 /nfs/dbraw/zinc/45/62/01/376456201.db2.gz DVNGIAKYMLFBJP-UHFFFAOYSA-N 0 3 288.376 2.059 20 30 CEEDHN C[C@H](NC[C@@H](O)COCC1CC1)c1ccc(C#N)c(F)c1 ZINC000305843645 376516394 /nfs/dbraw/zinc/51/63/94/376516394.db2.gz RWXQEZJQWDQYGF-XHDPSFHLSA-N 0 3 292.354 2.135 20 30 CEEDHN CS[C@H](CO)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000305799892 376494682 /nfs/dbraw/zinc/49/46/82/376494682.db2.gz CMUUHAMRCJFDSE-GPCCPHFNSA-N 0 3 282.384 2.460 20 30 CEEDHN N#Cc1ccc2ncc(CN3CC[C@H](C4CC4)C3)n2c1 ZINC000334282747 206306515 /nfs/dbraw/zinc/30/65/15/206306515.db2.gz UPVFWFGCDFKSOY-AWEZNQCLSA-N 0 3 266.348 2.438 20 30 CEEDHN CO[C@@H]1[C@@H](C)[C@@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000558236450 376598356 /nfs/dbraw/zinc/59/83/56/376598356.db2.gz XEMZXHVUUGCGOM-ZLKJLUDKSA-N 0 3 259.353 2.102 20 30 CEEDHN C=CCN1CCC(NC(=O)c2c(C)noc2C(C)C)CC1 ZINC000264460999 190111270 /nfs/dbraw/zinc/11/12/70/190111270.db2.gz GEDLKLSMNIONQI-UHFFFAOYSA-N 0 3 291.395 2.487 20 30 CEEDHN C=C(C)CN1CCC(Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000264501581 190114606 /nfs/dbraw/zinc/11/46/06/190114606.db2.gz QKMWHILXFNMREE-UHFFFAOYSA-N 0 3 293.371 2.089 20 30 CEEDHN CC#CCN1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421027627 376789858 /nfs/dbraw/zinc/78/98/58/376789858.db2.gz TWBQYLZHBZZERY-OLZOCXBDSA-N 0 3 251.370 2.309 20 30 CEEDHN C=CCOCCN[C@H](c1cncc(F)c1)C1CC1 ZINC000684962114 542099589 /nfs/dbraw/zinc/09/95/89/542099589.db2.gz RQHYLXUYKVGYTQ-AWEZNQCLSA-N 0 3 250.317 2.464 20 30 CEEDHN C#CCN(C)CCCNc1nc(C(C)C)ns1 ZINC000328318325 376848496 /nfs/dbraw/zinc/84/84/96/376848496.db2.gz YLGRVHGAQVQSMQ-UHFFFAOYSA-N 0 3 252.387 2.029 20 30 CEEDHN CCN1CCC(NC(=O)c2cn3c(n2)CCCC3)CC1 ZINC000328735738 376889440 /nfs/dbraw/zinc/88/94/40/376889440.db2.gz ZGDZYJFCZOWYRL-UHFFFAOYSA-N 0 3 276.384 2.008 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)CN1C1CC1 ZINC000328781616 376896812 /nfs/dbraw/zinc/89/68/12/376896812.db2.gz HKOAWQCGBWKPKX-CKYFFXLPSA-N 0 3 265.357 2.077 20 30 CEEDHN COc1ccc(CC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)nc1 ZINC000328878543 376914169 /nfs/dbraw/zinc/91/41/69/376914169.db2.gz UPYWMEJMZPDEGQ-IAQYHMDHSA-N 0 3 289.379 2.072 20 30 CEEDHN C#C[C@H](NC(=O)C1C[C@H](c2ccccc2)OC1=O)C(C)(C)C ZINC000290834838 376947757 /nfs/dbraw/zinc/94/77/57/376947757.db2.gz HTWYAGJSENCDOD-ZNMIVQPWSA-N 0 3 299.370 2.455 20 30 CEEDHN CC[C@H](NC(=O)N[C@H](C)C1=CCN(C)CC1)[C@@H]1CCCO1 ZINC000329351102 376951522 /nfs/dbraw/zinc/95/15/22/376951522.db2.gz UAFVRRGKTMRTGG-SNPRPXQTSA-N 0 3 295.427 2.098 20 30 CEEDHN C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)[C@H]1CCCOC1 ZINC000329381851 376955572 /nfs/dbraw/zinc/95/55/72/376955572.db2.gz ODRQULNTDZMQMJ-KFWWJZLASA-N 0 3 297.443 2.180 20 30 CEEDHN O=C(CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CCCC1 ZINC000329421130 376962870 /nfs/dbraw/zinc/96/28/70/376962870.db2.gz HBLANZQHNFTSGY-CFVMTHIKSA-N 0 3 278.396 2.433 20 30 CEEDHN Cc1c(C#N)cccc1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000563030704 377066467 /nfs/dbraw/zinc/06/64/67/377066467.db2.gz YOTFNWZYSWOVTJ-GOEBONIOSA-N 0 3 298.390 2.425 20 30 CEEDHN C#Cc1cccc(NC(=O)N2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292661425 377259433 /nfs/dbraw/zinc/25/94/33/377259433.db2.gz OIZFRAKCTADTGI-KRWDZBQOSA-N 0 3 283.375 2.227 20 30 CEEDHN CSC1(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292872580 377325175 /nfs/dbraw/zinc/32/51/75/377325175.db2.gz WNVIRYXVYSLVFE-ZDUSSCGKSA-N 0 3 289.404 2.302 20 30 CEEDHN C[C@H]1CCC[C@@]1(O)CNCc1ccc(C#N)cc1F ZINC000292887984 377334642 /nfs/dbraw/zinc/33/46/42/377334642.db2.gz CRXAGDJMFKMENY-XHDPSFHLSA-N 0 3 262.328 2.338 20 30 CEEDHN C#CCOc1ccccc1CNC[C@H](O)[C@H](C)CC ZINC000264901685 190143125 /nfs/dbraw/zinc/14/31/25/190143125.db2.gz ZIPYCBQMUTVDDO-HIFRSBDPSA-N 0 3 261.365 2.195 20 30 CEEDHN C=CCC1(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CCOCC1 ZINC000424705583 377285553 /nfs/dbraw/zinc/28/55/53/377285553.db2.gz AHJQGRVPNNNDSK-KBPBESRZSA-N 0 3 292.423 2.101 20 30 CEEDHN C#CCOc1ccccc1CNCCc1nccnc1C ZINC000292919622 377352818 /nfs/dbraw/zinc/35/28/18/377352818.db2.gz GDUIBJZTIKDSFY-UHFFFAOYSA-N 0 3 281.359 2.129 20 30 CEEDHN N#Cc1ncn(CCNCc2ccc(C3CCC3)cc2)n1 ZINC000293121722 377435451 /nfs/dbraw/zinc/43/54/51/377435451.db2.gz ZEXFUQYNYMEZES-UHFFFAOYSA-N 0 3 281.363 2.207 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@H](OC)C1CC1 ZINC000293058878 377411894 /nfs/dbraw/zinc/41/18/94/377411894.db2.gz SBTMMMZVTOLOIG-MRXNPFEDSA-N 0 3 259.349 2.213 20 30 CEEDHN C=C(CC)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428771188 377501989 /nfs/dbraw/zinc/50/19/89/377501989.db2.gz HLIOUKNSTKUKKB-AWEZNQCLSA-N 0 3 257.337 2.373 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000564828573 377468740 /nfs/dbraw/zinc/46/87/40/377468740.db2.gz SJUKFVWKTMQQRY-NEPJUHHUSA-N 0 3 299.296 2.427 20 30 CEEDHN C=CCN(C)CCN(CC)Cc1cnc(C)s1 ZINC000429724967 377520670 /nfs/dbraw/zinc/52/06/70/377520670.db2.gz YCJRSIXWLZOINZ-UHFFFAOYSA-N 0 3 253.415 2.391 20 30 CEEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCC1(CC#N)CC1 ZINC000430422609 377530483 /nfs/dbraw/zinc/53/04/83/377530483.db2.gz DGGYQBLJEUPDMY-KGLIPLIRSA-N 0 3 292.427 2.100 20 30 CEEDHN N#Cc1ccc(CNC[C@H](O)CC(F)(F)F)s1 ZINC000574393802 299491360 /nfs/dbraw/zinc/49/13/60/299491360.db2.gz XHCXAPDXEZUTDO-SSDOTTSWSA-N 0 3 264.272 2.023 20 30 CEEDHN CC(C#N)C(=O)N1CC(OCCCc2ccccc2)C1 ZINC000431713925 377671018 /nfs/dbraw/zinc/67/10/18/377671018.db2.gz DXGMPZSUVKUUHP-CYBMUJFWSA-N 0 3 272.348 2.006 20 30 CEEDHN C=CCC(C)(C)CNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000432098949 377713813 /nfs/dbraw/zinc/71/38/13/377713813.db2.gz OMZYUYPUQZWWIB-TZMCWYRMSA-N 0 3 279.428 2.371 20 30 CEEDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C1(C#N)CCCCC1 ZINC000332916365 377723892 /nfs/dbraw/zinc/72/38/92/377723892.db2.gz VKLUUBZNNUGRJL-GXTWGEPZSA-N 0 3 275.396 2.059 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000566134256 377734648 /nfs/dbraw/zinc/73/46/48/377734648.db2.gz GKKPXWICRQZENJ-FZKCQIBNSA-N 0 3 279.343 2.155 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccncc1 ZINC000433119081 377780158 /nfs/dbraw/zinc/78/01/58/377780158.db2.gz SZTBPPCUFXGQFN-MRXNPFEDSA-N 0 3 279.343 2.470 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCCCn1cccn1 ZINC000433235865 377782659 /nfs/dbraw/zinc/78/26/59/377782659.db2.gz WZPUWNPITNQNEZ-MRXNPFEDSA-N 0 3 296.374 2.162 20 30 CEEDHN CC(C)C1(CNCc2cnc3c(C#N)cnn3c2)CC1 ZINC000566243137 377748192 /nfs/dbraw/zinc/74/81/92/377748192.db2.gz PDIRKUXQKOJXKL-UHFFFAOYSA-N 0 3 269.352 2.127 20 30 CEEDHN CCN1CCCC[C@@H]1C(=O)NCc1ccc(CC#N)cc1 ZINC000566279429 377751379 /nfs/dbraw/zinc/75/13/79/377751379.db2.gz QQZGGJXIRZJGQS-MRXNPFEDSA-N 0 3 285.391 2.243 20 30 CEEDHN C[C@H]1CCN(CC(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000567178040 377809371 /nfs/dbraw/zinc/80/93/71/377809371.db2.gz UYSJKPQFYAQZKP-HOCLYGCPSA-N 0 3 285.391 2.489 20 30 CEEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)c1nccn1C ZINC000436296328 377822617 /nfs/dbraw/zinc/82/26/17/377822617.db2.gz RHAODVDLJUGBCA-RDBSUJKOSA-N 0 3 263.385 2.442 20 30 CEEDHN Cc1nccc(CNC(=O)C(C#N)CCc2ccccc2)n1 ZINC000433313382 377787749 /nfs/dbraw/zinc/78/77/49/377787749.db2.gz PUOHWBUFCXOVHO-OAHLLOKOSA-N 0 3 294.358 2.174 20 30 CEEDHN CCN(CCC#N)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000433321576 377788614 /nfs/dbraw/zinc/78/86/14/377788614.db2.gz YFLDNGMZXNNKRF-OAHLLOKOSA-N 0 3 273.380 2.442 20 30 CEEDHN C=CCN(C(=O)NC[C@@H]1CCCCN1C1CC1)C1CC1 ZINC000434352147 377797326 /nfs/dbraw/zinc/79/73/26/377797326.db2.gz MXQZIDHOPPJAHW-HNNXBMFYSA-N 0 3 277.412 2.363 20 30 CEEDHN C=C(C)CN(CC)Cc1c(C)nn(CC(=O)OCC)c1C ZINC000437592779 377854799 /nfs/dbraw/zinc/85/47/99/377854799.db2.gz RNHSQCKHVWVTSD-UHFFFAOYSA-N 0 3 293.411 2.461 20 30 CEEDHN C[C@@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)[C@H]1C ZINC000265983641 190220656 /nfs/dbraw/zinc/22/06/56/190220656.db2.gz GHZIWMBNOKMGMK-KGLIPLIRSA-N 0 3 285.391 2.295 20 30 CEEDHN N#C[C@@H]1CC[C@@H](NCCOc2ncccc2Cl)C1 ZINC000442826652 378004416 /nfs/dbraw/zinc/00/44/16/378004416.db2.gz KCGDFZHSRJGPNO-GHMZBOCLSA-N 0 3 265.744 2.396 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)/C=C(\C)CC)CC1 ZINC000294765909 378018796 /nfs/dbraw/zinc/01/87/96/378018796.db2.gz YOMVQQAZHQZCHL-JLHYYAGUSA-N 0 3 250.386 2.499 20 30 CEEDHN C#CCOc1ccccc1CN[C@H](C)CC(C)(C)O ZINC000294951594 378030901 /nfs/dbraw/zinc/03/09/01/378030901.db2.gz DABOHXNYWDUKFE-CYBMUJFWSA-N 0 3 261.365 2.338 20 30 CEEDHN C=CCCCC[C@H](C)N[C@@H](CO)c1cnn(C)c1 ZINC000449207523 378198431 /nfs/dbraw/zinc/19/84/31/378198431.db2.gz OKFSGNCARLMKFC-JSGCOSHPSA-N 0 3 251.374 2.178 20 30 CEEDHN C=CCOc1cccc(CN(CCO)[C@H]2CCO[C@@H]2C)c1 ZINC000449675604 378218855 /nfs/dbraw/zinc/21/88/55/378218855.db2.gz AULLFQXNQVHDLU-PBHICJAKSA-N 0 3 291.391 2.223 20 30 CEEDHN C=CCCCNC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000447953778 378164997 /nfs/dbraw/zinc/16/49/97/378164997.db2.gz JSWHKIHMHUBYDZ-KGLIPLIRSA-N 0 3 267.417 2.372 20 30 CEEDHN C[C@@H]1C[C@]1(C#N)C(=O)NCCCN1CCc2ccccc2C1 ZINC000448674258 378178962 /nfs/dbraw/zinc/17/89/62/378178962.db2.gz FJCAMUUJZVBFCD-RDTXWAMCSA-N 0 3 297.402 2.101 20 30 CEEDHN CC(C)CCN(CCC#N)C[C@@H]1CCNC(=O)CC1 ZINC000450461613 378431080 /nfs/dbraw/zinc/43/10/80/378431080.db2.gz BSMDXRYUHBRPLX-AWEZNQCLSA-N 0 3 265.401 2.164 20 30 CEEDHN C#CCN(C)CCCNC(=O)Nc1ccc(Cl)cc1 ZINC000296614553 378591635 /nfs/dbraw/zinc/59/16/35/378591635.db2.gz PQEKPBLPWNOTJE-UHFFFAOYSA-N 0 3 279.771 2.417 20 30 CEEDHN COc1ccc(CNC[C@@H](O)c2ccc(C)o2)cc1C#N ZINC000266150686 190234789 /nfs/dbraw/zinc/23/47/89/190234789.db2.gz KGJSUSWWGFIZKR-CQSZACIVSA-N 0 3 286.331 2.292 20 30 CEEDHN C#CCN(C)CCCNC(=O)N(C)Cc1ccc(C)s1 ZINC000296894424 378657106 /nfs/dbraw/zinc/65/71/06/378657106.db2.gz MPMPPLRYXOYYKW-UHFFFAOYSA-N 0 3 293.436 2.153 20 30 CEEDHN CC#CCN(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000297331094 378681980 /nfs/dbraw/zinc/68/19/80/378681980.db2.gz HRLOUHDXEPGXFU-KRWDZBQOSA-N 0 3 299.418 2.488 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C#N)cc1OC ZINC000451682224 378723779 /nfs/dbraw/zinc/72/37/79/378723779.db2.gz OFFLPBDIIRJEJX-CABCVRRESA-N 0 3 272.348 2.390 20 30 CEEDHN C[C@@H](NCCCn1ccnn1)c1ccc(C#N)cc1F ZINC000346892448 218049945 /nfs/dbraw/zinc/04/99/45/218049945.db2.gz XCPAUSNDJWQYKD-LLVKDONJSA-N 0 3 273.315 2.030 20 30 CEEDHN C[C@H](NC[C@]1(C)CCC(=O)N1)c1ccc(C#N)c(F)c1 ZINC000453407035 378890745 /nfs/dbraw/zinc/89/07/45/378890745.db2.gz GGXRDFMLXXOCPP-BONVTDFDSA-N 0 3 275.327 2.017 20 30 CEEDHN C#CCN(CC)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000299169149 378924352 /nfs/dbraw/zinc/92/43/52/378924352.db2.gz QTSABWRTYJKQBE-WMZOPIPTSA-N 0 3 287.403 2.397 20 30 CEEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](CC)OC)C(C)C ZINC000299352416 378973382 /nfs/dbraw/zinc/97/33/82/378973382.db2.gz WADCWZPKYNYOBS-CABCVRRESA-N 0 3 282.428 2.226 20 30 CEEDHN CC[C@H](NCCCS(C)(=O)=O)c1ccc(C#N)cc1 ZINC000278733009 194128217 /nfs/dbraw/zinc/12/82/17/194128217.db2.gz MULYGLQIPLARIS-AWEZNQCLSA-N 0 3 280.393 2.034 20 30 CEEDHN C[C@H]1CCCN(C(C)(C)CNc2nccnc2C#N)C1 ZINC000301199995 379217640 /nfs/dbraw/zinc/21/76/40/379217640.db2.gz WCZKUNBKXUUOAA-LBPRGKRZSA-N 0 3 273.384 2.271 20 30 CEEDHN CN(C)CCN(CCCSCC#N)Cc1ccccn1 ZINC000516580921 379295550 /nfs/dbraw/zinc/29/55/50/379295550.db2.gz WEMRARIVDRFVAQ-UHFFFAOYSA-N 0 3 292.452 2.092 20 30 CEEDHN N#Cc1cccc(NC(=O)N2CCC[C@@H]2CN2CCCC2)n1 ZINC000518767383 379403346 /nfs/dbraw/zinc/40/33/46/379403346.db2.gz KFPOQVJIAHVBHL-CQSZACIVSA-N 0 3 299.378 2.045 20 30 CEEDHN N#Cc1cccc(COc2cccc(CNCCO)c2)c1 ZINC000304243320 379534354 /nfs/dbraw/zinc/53/43/54/379534354.db2.gz TXWSUUSZEPCLFN-UHFFFAOYSA-N 0 3 282.343 2.219 20 30 CEEDHN CC(C)OCCN1CCC(Nc2cccc(C#N)n2)CC1 ZINC000267036796 190299084 /nfs/dbraw/zinc/29/90/84/190299084.db2.gz LRSMGMGSBSPCKN-UHFFFAOYSA-N 0 3 288.395 2.255 20 30 CEEDHN Cc1ccccc1[C@@H]1CN(C(=O)C(C)C#N)CCO1 ZINC000525253121 379655386 /nfs/dbraw/zinc/65/53/86/379655386.db2.gz NCCUCYFHMWWLIL-JSGCOSHPSA-N 0 3 258.321 2.055 20 30 CEEDHN C[C@@H]1CCCN(CCOc2ccccc2C#N)[C@@H]1CO ZINC000305202747 379683000 /nfs/dbraw/zinc/68/30/00/379683000.db2.gz WQQLAADNMIAYOF-UKRRQHHQSA-N 0 3 274.364 2.030 20 30 CEEDHN C[C@@H]1CCC(C)(C)N1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000331689878 296301562 /nfs/dbraw/zinc/30/15/62/296301562.db2.gz SKTHYDDYKDLLOT-ABAIWWIYSA-N 0 3 263.385 2.058 20 30 CEEDHN N#CC1(C[C@H](O)CN2CC[C@@H](Nc3ccccc3)C2)CC1 ZINC000528413456 379964774 /nfs/dbraw/zinc/96/47/74/379964774.db2.gz CFDXYIPLSCQVFH-CVEARBPZSA-N 0 3 285.391 2.228 20 30 CEEDHN C[C@H](CN(C)Cc1cc(C#N)n(C)c1)C(=O)OC(C)(C)C ZINC000459771417 380067120 /nfs/dbraw/zinc/06/71/20/380067120.db2.gz NMEPQKKKIUKCDZ-GFCCVEGCSA-N 0 3 291.395 2.306 20 30 CEEDHN C=CCN(CC=C)C(=O)CN(CCOC)[C@H]1CCC[C@@H]1C ZINC000487995519 380090391 /nfs/dbraw/zinc/09/03/91/380090391.db2.gz AUCISIWMELBODP-HOTGVXAUSA-N 0 3 294.439 2.324 20 30 CEEDHN CC(C#N)C(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000486292841 380081164 /nfs/dbraw/zinc/08/11/64/380081164.db2.gz PCAOJKOLGXKRGP-JKOKRWQUSA-N 0 3 276.311 2.179 20 30 CEEDHN C=CCCO[C@@H](C)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000267984384 190367467 /nfs/dbraw/zinc/36/74/67/190367467.db2.gz GZQWJBKISQURHX-AWEZNQCLSA-N 0 3 294.395 2.151 20 30 CEEDHN N#CC(C(=O)[C@@H]1C[C@H]1c1ccsc1)C(=O)N1CCCC1 ZINC000528917393 380135650 /nfs/dbraw/zinc/13/56/50/380135650.db2.gz UEFYPQFUAQZHGZ-XQQFMLRXSA-N 0 3 288.372 2.183 20 30 CEEDHN CCC(C#N)(CC)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000529172952 380169746 /nfs/dbraw/zinc/16/97/46/380169746.db2.gz UJMUZEPNJPZARH-AWEZNQCLSA-N 0 3 277.412 2.449 20 30 CEEDHN CCC(C#N)(CC)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000529431691 380175406 /nfs/dbraw/zinc/17/54/06/380175406.db2.gz HAZKQDQMDSHCCQ-CYBMUJFWSA-N 0 3 277.412 2.259 20 30 CEEDHN N#Cc1ccc(CNC(=O)CN2CCC3(CCC3)C2)cc1 ZINC000268236014 190388676 /nfs/dbraw/zinc/38/86/76/190388676.db2.gz PYBYTRLTIYSLCP-UHFFFAOYSA-N 0 3 283.375 2.050 20 30 CEEDHN C=CCn1cccc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000489033921 380155088 /nfs/dbraw/zinc/15/50/88/380155088.db2.gz DCPFGFDNNHCRPM-CQSZACIVSA-N 0 3 277.412 2.380 20 30 CEEDHN CCC(C#N)(CC)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000528995148 380156942 /nfs/dbraw/zinc/15/69/42/380156942.db2.gz GZPSUQSNJMILQO-GFCCVEGCSA-N 0 3 263.385 2.083 20 30 CEEDHN C[C@H](C(=O)N1CCC(CC#N)CC1)N1[C@H](C)CC[C@@H]1C ZINC000541048454 380267657 /nfs/dbraw/zinc/26/76/57/380267657.db2.gz XYCMGXYYWMDDGK-HZSPNIEDSA-N 0 3 277.412 2.400 20 30 CEEDHN N#CCC1CCN(Cc2ccc(-n3cncn3)cc2)CC1 ZINC000541923063 380290031 /nfs/dbraw/zinc/29/00/31/380290031.db2.gz YJOJPJANMVIZHF-UHFFFAOYSA-N 0 3 281.363 2.393 20 30 CEEDHN N#CCC1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000541951664 380291513 /nfs/dbraw/zinc/29/15/13/380291513.db2.gz HAZFNSLEIPKUGH-OAHLLOKOSA-N 0 3 274.364 2.052 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000491347927 380307171 /nfs/dbraw/zinc/30/71/71/380307171.db2.gz AVHRFTYBPSZCHW-SQWLQELKSA-N 0 3 287.407 2.341 20 30 CEEDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc(C#N)cs2)C1 ZINC000334743907 207003896 /nfs/dbraw/zinc/00/38/96/207003896.db2.gz GHRBFBYOGGGYAJ-GFCCVEGCSA-N 0 3 277.393 2.174 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000493140574 380815907 /nfs/dbraw/zinc/81/59/07/380815907.db2.gz YUEVVELCQJORNR-NWDGAFQWSA-N 0 3 295.383 2.004 20 30 CEEDHN C#CCN(C)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000279227515 194342798 /nfs/dbraw/zinc/34/27/98/194342798.db2.gz DMNYPCFCDLCNKU-KRWDZBQOSA-N 0 3 253.345 2.308 20 30 CEEDHN C#CCCN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000494009967 381153853 /nfs/dbraw/zinc/15/38/53/381153853.db2.gz SKAIZASQNNECNH-OLZOCXBDSA-N 0 3 266.385 2.245 20 30 CEEDHN C=CCN1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494954126 381163464 /nfs/dbraw/zinc/16/34/64/381163464.db2.gz PMLQFGIVNKZNHY-RYUDHWBXSA-N 0 3 254.374 2.408 20 30 CEEDHN CC(C#N)C(=O)NC(C)(C)CCCNC(=O)OC(C)(C)C ZINC000495773131 381186435 /nfs/dbraw/zinc/18/64/35/381186435.db2.gz CPHVTRUQOOTBSN-NSHDSACASA-N 0 3 297.399 2.346 20 30 CEEDHN CC#CCN1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496485653 381216224 /nfs/dbraw/zinc/21/62/24/381216224.db2.gz IEXIXNNOAWTBPJ-UHFFFAOYSA-N 0 3 278.396 2.343 20 30 CEEDHN C=CCOCCNCc1cc2ccccc2[nH]c1=O ZINC000388347465 542370826 /nfs/dbraw/zinc/37/08/26/542370826.db2.gz CYDLKZAJDMDWNX-UHFFFAOYSA-N 0 3 258.321 2.233 20 30 CEEDHN CC(C#N)C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000347029262 533114446 /nfs/dbraw/zinc/11/44/46/533114446.db2.gz AKVGUBCNJLYUMG-VIFPVBQESA-N 0 3 259.284 2.125 20 30 CEEDHN C=CCOc1cccc(NC[C@@H](O)CN(C)C2CC2)c1 ZINC000574870770 335053695 /nfs/dbraw/zinc/05/36/95/335053695.db2.gz QVALMOCZJGPNCZ-OAHLLOKOSA-N 0 3 276.380 2.118 20 30 CEEDHN COC(=O)[C@H]1CCN(Cc2ccc(CC#N)cc2)[C@H]1C ZINC000347208589 533434227 /nfs/dbraw/zinc/43/42/27/533434227.db2.gz NQLXVHPZAPJSDQ-WFASDCNBSA-N 0 3 272.348 2.136 20 30 CEEDHN COc1cc(C#N)ccc1CN1[C@@H](C)CC(O)C[C@@H]1C ZINC000191139829 130189516 /nfs/dbraw/zinc/18/95/16/130189516.db2.gz SIIPBAWHWHPNBX-RYUDHWBXSA-N 0 3 274.364 2.301 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2cc3n[nH]cc3cc2C)CC1 ZINC000264116956 131396651 /nfs/dbraw/zinc/39/66/51/131396651.db2.gz BSGYVHBHPCBTQQ-UHFFFAOYSA-N 0 3 296.374 2.155 20 30 CEEDHN CCN(Cc1ccc(CN(C)C)cc1)c1ccc(C#N)nn1 ZINC000301893618 394467244 /nfs/dbraw/zinc/46/72/44/394467244.db2.gz ASUYTQUGNTZNRF-UHFFFAOYSA-N 0 3 295.390 2.436 20 30 CEEDHN CN(CCNc1cc(C(F)(F)F)cnc1C#N)C1CC1 ZINC000413064073 394476950 /nfs/dbraw/zinc/47/69/50/394476950.db2.gz AGAWOUQJSXPFLX-UHFFFAOYSA-N 0 3 284.285 2.478 20 30 CEEDHN C[C@H]1C[C@H](N(C)c2ncc(C#N)cc2F)CCN1C ZINC000413158560 394494923 /nfs/dbraw/zinc/49/49/23/394494923.db2.gz JSHRRADCJRAKOL-CMPLNLGQSA-N 0 3 262.332 2.011 20 30 CEEDHN C=CCOc1ccccc1CN1CCC(CO)CC1 ZINC000305732253 394510777 /nfs/dbraw/zinc/51/07/77/394510777.db2.gz NKGXBMWZOLBVKA-UHFFFAOYSA-N 0 3 261.365 2.456 20 30 CEEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000305775919 394512121 /nfs/dbraw/zinc/51/21/21/394512121.db2.gz OBBOSPVURRSGIZ-WCQYABFASA-N 0 3 263.337 2.393 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000356227725 394566279 /nfs/dbraw/zinc/56/62/79/394566279.db2.gz JQOSKNMAKMPROT-SFHVURJKSA-N 0 3 297.402 2.425 20 30 CEEDHN C[C@@H]1SCCN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)[C@H]1C ZINC000329625537 394577200 /nfs/dbraw/zinc/57/72/00/394577200.db2.gz SVFLPUUWLVIMAQ-GARJFASQSA-N 0 3 294.424 2.007 20 30 CEEDHN C[C@@H]1SCCN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)[C@H]1C ZINC000329625537 394577201 /nfs/dbraw/zinc/57/72/01/394577201.db2.gz SVFLPUUWLVIMAQ-GARJFASQSA-N 0 3 294.424 2.007 20 30 CEEDHN C[C@@H](CNC(=O)c1csc(=O)[n-]1)C[NH+]1CCCCC1 ZINC000329913275 394594167 /nfs/dbraw/zinc/59/41/67/394594167.db2.gz OPOSHCMJQZOOKA-JTQLQIEISA-N 0 3 283.397 2.275 20 30 CEEDHN CC1(C)CCCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000070259037 394587027 /nfs/dbraw/zinc/58/70/27/394587027.db2.gz QLMBJXUMGBFEAO-OAHLLOKOSA-N 0 3 288.391 2.420 20 30 CEEDHN COc1cc(CNCCCC2(O)CCC2)ccc1C#N ZINC000421383102 394520238 /nfs/dbraw/zinc/52/02/38/394520238.db2.gz LKKMNVFEJQAKRO-UHFFFAOYSA-N 0 3 274.364 2.352 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NC1CCN(CCCOC)CC1 ZINC000355781374 394530332 /nfs/dbraw/zinc/53/03/32/394530332.db2.gz WWHZUGZDDHAIKP-CQSZACIVSA-N 0 3 297.443 2.141 20 30 CEEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000248703690 394545545 /nfs/dbraw/zinc/54/55/45/394545545.db2.gz ANPAPXVZQDNWGC-FMKPAKJESA-N 0 3 298.390 2.249 20 30 CEEDHN C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2C#N)CCN1C ZINC000266200764 394660617 /nfs/dbraw/zinc/66/06/17/394660617.db2.gz DKSACMBGPOTQOP-WCQYABFASA-N 0 3 288.351 2.385 20 30 CEEDHN CC#CCN1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000334229876 394665791 /nfs/dbraw/zinc/66/57/91/394665791.db2.gz IXWQLTSBPGQCIP-HNNXBMFYSA-N 0 3 274.408 2.124 20 30 CEEDHN CCc1nn(C)cc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000329937707 394596125 /nfs/dbraw/zinc/59/61/25/394596125.db2.gz DRZITJQXCMDCMY-ZDUSSCGKSA-N 0 3 290.411 2.304 20 30 CEEDHN C=CC1CCN(C([O-])=[NH+]CCCn2ccnc2C)CC1 ZINC000330389676 394603437 /nfs/dbraw/zinc/60/34/37/394603437.db2.gz FLLLONYTTXIMSQ-UHFFFAOYSA-N 0 3 276.384 2.394 20 30 CEEDHN Cc1nc2ccc(C(=O)N[C@@H](C)CN(C)C)cc2n1C ZINC000330668140 394625724 /nfs/dbraw/zinc/62/57/24/394625724.db2.gz CATGXJGGDATDNL-JTQLQIEISA-N 0 3 274.368 2.136 20 30 CEEDHN CC(C#N)C(=O)N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000332080474 394635610 /nfs/dbraw/zinc/63/56/10/394635610.db2.gz ZVUPMJNAMLKMFF-MXWKQRLJSA-N 0 3 252.358 2.244 20 30 CEEDHN C[C@@H]1C[C@@H](NC(=O)C2(C#N)CCCCC2)CCN1C ZINC000088055760 394645630 /nfs/dbraw/zinc/64/56/30/394645630.db2.gz PIGKVAJKRZYPSB-OLZOCXBDSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C ZINC000413824139 394645702 /nfs/dbraw/zinc/64/57/02/394645702.db2.gz BTVQPAQZDYZXMJ-INIZCTEOSA-N 0 3 289.423 2.377 20 30 CEEDHN C[C@H]1C[C@]1(C#N)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000335155646 394743927 /nfs/dbraw/zinc/74/39/27/394743927.db2.gz MTKQMGXCESLKFJ-XJKSGUPXSA-N 0 3 275.396 2.013 20 30 CEEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1C#N ZINC000267686789 394682851 /nfs/dbraw/zinc/68/28/51/394682851.db2.gz QKIGWCZDNCTVQC-RISCZKNCSA-N 0 3 288.351 2.243 20 30 CEEDHN CC(C#N)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000334418337 394683647 /nfs/dbraw/zinc/68/36/47/394683647.db2.gz PJUWTBRDMMOSDI-NSHDSACASA-N 0 3 282.347 2.429 20 30 CEEDHN CC(C#N)C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000334438591 394685952 /nfs/dbraw/zinc/68/59/52/394685952.db2.gz TVCYEEWPNQRCHO-MFKMUULPSA-N 0 3 278.739 2.479 20 30 CEEDHN CC(C)N1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000357259228 394697644 /nfs/dbraw/zinc/69/76/44/394697644.db2.gz GKJFEKIIAQAMFT-UHFFFAOYSA-N 0 3 288.351 2.387 20 30 CEEDHN CNC(=O)C[C@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000271495667 394757905 /nfs/dbraw/zinc/75/79/05/394757905.db2.gz LFOWDAIFUVRDBA-JSGCOSHPSA-N 0 3 259.353 2.146 20 30 CEEDHN Cc1cc(C(C#N)C(=O)NCc2ccccc2)nc(C)n1 ZINC000271660217 394759139 /nfs/dbraw/zinc/75/91/39/394759139.db2.gz XUDSERCKZUIONP-CQSZACIVSA-N 0 3 280.331 2.017 20 30 CEEDHN C=C[C@@H](C)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000119365872 394767453 /nfs/dbraw/zinc/76/74/53/394767453.db2.gz AGOYHFOZKOMPLG-GHMZBOCLSA-N 0 3 253.367 2.315 20 30 CEEDHN C=CCC1(C(=O)N[C@H](C)C2=CCN(C)CC2)CCC1 ZINC000359886731 394778934 /nfs/dbraw/zinc/77/89/34/394778934.db2.gz MYICANFYKPBTSI-CYBMUJFWSA-N 0 3 262.397 2.499 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000335649361 394785633 /nfs/dbraw/zinc/78/56/33/394785633.db2.gz GAURVKQVGWRIPN-UHFFFAOYSA-N 0 3 286.379 2.346 20 30 CEEDHN Cc1csc(C(C#N)C(=O)Nc2ccccn2)n1 ZINC000121703316 394802724 /nfs/dbraw/zinc/80/27/24/394802724.db2.gz JKRKIKDUEGSBID-VIFPVBQESA-N 0 3 258.306 2.092 20 30 CEEDHN CC(C)(C)C1=CCN(CCNC(=O)CCCC#N)CC1 ZINC000360667379 394804646 /nfs/dbraw/zinc/80/46/46/394804646.db2.gz WYINBAPIZNBQGB-UHFFFAOYSA-N 0 3 277.412 2.475 20 30 CEEDHN CC(C#N)C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000335909364 394811123 /nfs/dbraw/zinc/81/11/23/394811123.db2.gz CZXGGCDABCNGPK-ZANVPECISA-N 0 3 280.274 2.024 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)NC1CCN(CC=C)CC1 ZINC000281876080 394867506 /nfs/dbraw/zinc/86/75/06/394867506.db2.gz NSUSCRQHXLGUTM-CYBMUJFWSA-N 0 3 265.401 2.291 20 30 CEEDHN CCO[C@@H]1COCC[C@H]1NCc1ccc(CC#N)cc1 ZINC000362030242 394842268 /nfs/dbraw/zinc/84/22/68/394842268.db2.gz WSJMHJQXVKBKAE-HZPDHXFCSA-N 0 3 274.364 2.036 20 30 CEEDHN Cc1oc(C#N)cc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000281831466 394858272 /nfs/dbraw/zinc/85/82/72/394858272.db2.gz OXKUQPYGVWHMTD-INIZCTEOSA-N 0 3 297.358 2.492 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1C[C@H](C)[C@H](C)C1 ZINC000362448918 394861336 /nfs/dbraw/zinc/86/13/36/394861336.db2.gz NPYCWLJFFRMILF-HZSPNIEDSA-N 0 3 250.386 2.163 20 30 CEEDHN C=CCN1CC[C@@H](N2CC[C@@H](Cc3ccccc3)C2)C1=O ZINC000282037329 394900497 /nfs/dbraw/zinc/90/04/97/394900497.db2.gz QOKJPAQSZRYXNJ-DLBZAZTESA-N 0 3 284.403 2.338 20 30 CEEDHN C=CCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000285213042 394954352 /nfs/dbraw/zinc/95/43/52/394954352.db2.gz WULHSEUMWAOWAT-OCCSQVGLSA-N 0 3 261.369 2.163 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)c2cc(C3CC3)no2)CC1 ZINC000282243350 394915276 /nfs/dbraw/zinc/91/52/76/394915276.db2.gz FXJBANOQLQCLEG-UHFFFAOYSA-N 0 3 289.379 2.322 20 30 CEEDHN N#Cc1cccnc1N1CCCN(C[C@H]2CCC=CO2)CC1 ZINC000364960353 394917214 /nfs/dbraw/zinc/91/72/14/394917214.db2.gz YVHOOZQLKUXFJC-MRXNPFEDSA-N 0 3 298.390 2.158 20 30 CEEDHN C=C(C)CN1CCC(N[C@H](C)c2cc(C)n(C)n2)CC1 ZINC000282397026 394918813 /nfs/dbraw/zinc/91/88/13/394918813.db2.gz XSPBSXFUJSIAGE-CQSZACIVSA-N 0 3 276.428 2.420 20 30 CEEDHN C[C@H](C#N)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338758066 394927996 /nfs/dbraw/zinc/92/79/96/394927996.db2.gz SGYLDPPRTGKGDZ-MFKMUULPSA-N 0 3 279.771 2.219 20 30 CEEDHN C[C@@H](Cn1cncn1)NCc1cccc(OCCCC#N)c1 ZINC000338956906 394934285 /nfs/dbraw/zinc/93/42/85/394934285.db2.gz LSEXDPBUOHRXHV-AWEZNQCLSA-N 0 3 299.378 2.139 20 30 CEEDHN C=CCN1CCC(NC(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000285392669 394956292 /nfs/dbraw/zinc/95/62/92/394956292.db2.gz ODJCMHKPUXTSSF-UHFFFAOYSA-N 0 3 287.338 2.078 20 30 CEEDHN C=CCOCCN[C@H](COC)c1ccc(F)cc1 ZINC000339077932 394940436 /nfs/dbraw/zinc/94/04/36/394940436.db2.gz ZRHKNBCOYWHQSH-CQSZACIVSA-N 0 3 253.317 2.305 20 30 CEEDHN C=C(C)[C@H](CC(=O)N(C)[C@@H]1CCN(C2CC2)C1)OCC ZINC000339372205 394957456 /nfs/dbraw/zinc/95/74/56/394957456.db2.gz XCNAYRNKHULGGT-CABCVRRESA-N 0 3 280.412 2.053 20 30 CEEDHN N#CCCOCCN1CCC(F)(c2cccnc2)CC1 ZINC000339164163 394947632 /nfs/dbraw/zinc/94/76/32/394947632.db2.gz HKVRKAZXKHEELM-UHFFFAOYSA-N 0 3 277.343 2.272 20 30 CEEDHN CNCc1cccc(NC(=O)NCC(C)(C)CC#N)c1 ZINC000415931019 394982419 /nfs/dbraw/zinc/98/24/19/394982419.db2.gz LBWVSJPPFDJQJZ-UHFFFAOYSA-N 0 3 274.368 2.467 20 30 CEEDHN CNc1ccc(C#N)cc1NC(=O)C12CCCN1CCC2 ZINC000285910999 394983701 /nfs/dbraw/zinc/98/37/01/394983701.db2.gz KFRZZFJNFIVUGQ-UHFFFAOYSA-N 0 3 284.363 2.167 20 30 CEEDHN COc1cc(C#N)ccc1CN[C@@H]1CCC[C@@H]1CCO ZINC000285959020 394991628 /nfs/dbraw/zinc/99/16/28/394991628.db2.gz DFTXZHLTRWUAIZ-UKRRQHHQSA-N 0 3 274.364 2.208 20 30 CEEDHN Cc1nsc(N(C)C2C[C@H]3CC[C@@H](C2)N3C)c1C#N ZINC000286319271 395019353 /nfs/dbraw/zinc/01/93/53/395019353.db2.gz JNUYRVUWEFLTEJ-FOSCPWQOSA-N 0 3 276.409 2.385 20 30 CEEDHN CC#CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000154552253 395022902 /nfs/dbraw/zinc/02/29/02/395022902.db2.gz VGPJHPOOSACGOO-OAHLLOKOSA-N 0 3 288.366 2.177 20 30 CEEDHN COCC1(C#N)CCN(Cc2cccc3c[nH]nc32)CC1 ZINC000342845869 395024397 /nfs/dbraw/zinc/02/43/97/395024397.db2.gz YSOUJJASOIVBGG-UHFFFAOYSA-N 0 3 284.363 2.315 20 30 CEEDHN C=C[C@@H](CC(=O)NCCN(C)CC)c1ccccc1 ZINC000134642024 394958090 /nfs/dbraw/zinc/95/80/90/394958090.db2.gz IHAPIZNOHFCNSA-AWEZNQCLSA-N 0 3 260.381 2.414 20 30 CEEDHN C[C@@H]1C[C@H](NC(=O)C2(C#N)CCC2)CN1Cc1ccccc1 ZINC000134894303 394959756 /nfs/dbraw/zinc/95/97/56/394959756.db2.gz DHEXRFWNGSNERK-ZBFHGGJFSA-N 0 3 297.402 2.459 20 30 CEEDHN C#CCCCCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000155032663 395025581 /nfs/dbraw/zinc/02/55/81/395025581.db2.gz ZQROEWULOSOPGR-MRXNPFEDSA-N 0 3 291.439 2.450 20 30 CEEDHN CN(C)C1(CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000416310443 395053076 /nfs/dbraw/zinc/05/30/76/395053076.db2.gz DZURMIGNLZDCAD-UHFFFAOYSA-N 0 3 299.418 2.337 20 30 CEEDHN CCC[C@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346440071 395100133 /nfs/dbraw/zinc/10/01/33/395100133.db2.gz WLNBZHWWEQDYCM-KGLIPLIRSA-N 0 3 277.412 2.449 20 30 CEEDHN CN(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)C(C)(C)C#N ZINC000373098711 395054195 /nfs/dbraw/zinc/05/41/95/395054195.db2.gz IETSFAVWBKJWKY-GJZGRUSLSA-N 0 3 285.391 2.270 20 30 CEEDHN CC(C)CNC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000416401636 395060086 /nfs/dbraw/zinc/06/00/86/395060086.db2.gz UXFIVPFHCPSYML-JTQLQIEISA-N 0 3 285.269 2.480 20 30 CEEDHN C=CCNC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000416398220 395060228 /nfs/dbraw/zinc/06/02/28/395060228.db2.gz MESXQSSTTATWOO-VIFPVBQESA-N 0 3 269.226 2.010 20 30 CEEDHN CSC[C@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425529859 395061404 /nfs/dbraw/zinc/06/14/04/395061404.db2.gz CTLMQFLCLCOEOA-BXUZGUMPSA-N 0 3 264.394 2.275 20 30 CEEDHN CC#CCCN1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000288939261 395068442 /nfs/dbraw/zinc/06/84/42/395068442.db2.gz WQQHOCPEUQFQLZ-KRWDZBQOSA-N 0 3 275.367 2.466 20 30 CEEDHN C#CCCN1CCC(O)(Cc2ccccc2OC)CC1 ZINC000373966988 395069092 /nfs/dbraw/zinc/06/90/92/395069092.db2.gz DEMOGANDHWINAU-UHFFFAOYSA-N 0 3 273.376 2.088 20 30 CEEDHN C[C@H](C#N)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000345808108 395078165 /nfs/dbraw/zinc/07/81/65/395078165.db2.gz RTPFGRATSBWPSZ-CYBMUJFWSA-N 0 3 265.401 2.117 20 30 CEEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000346613888 395101908 /nfs/dbraw/zinc/10/19/08/395101908.db2.gz HCEWHSMUATTYKL-IPOQPSJVSA-N 0 3 283.375 2.205 20 30 CEEDHN CC#CCN1CCC(Cc2occc2C(=O)OC)CC1 ZINC000374286856 395079670 /nfs/dbraw/zinc/07/96/70/395079670.db2.gz HUNAUYXGHPSPFD-UHFFFAOYSA-N 0 3 275.348 2.344 20 30 CEEDHN N#CCCCCN1CCCN(c2cncc(F)c2)CC1 ZINC000374409056 395081368 /nfs/dbraw/zinc/08/13/68/395081368.db2.gz BFDIETKFNLXHHI-UHFFFAOYSA-N 0 3 276.359 2.427 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000289939064 395091440 /nfs/dbraw/zinc/09/14/40/395091440.db2.gz VXCRFZFEYWZEMS-WFASDCNBSA-N 0 3 271.364 2.378 20 30 CEEDHN C#CCCN1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375695392 395096365 /nfs/dbraw/zinc/09/63/65/395096365.db2.gz AAIOHCDZFOOMJS-UHFFFAOYSA-N 0 3 278.396 2.485 20 30 CEEDHN C#CCCCN1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000375765806 395097438 /nfs/dbraw/zinc/09/74/38/395097438.db2.gz XZKATFYHUMBISN-HNNXBMFYSA-N 0 3 278.396 2.487 20 30 CEEDHN CC[C@@H](C#N)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416212119 395032746 /nfs/dbraw/zinc/03/27/46/395032746.db2.gz YBYUTBFIQMLNNW-KBPBESRZSA-N 0 3 259.353 2.098 20 30 CEEDHN CC#CCCN1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000156614861 395033223 /nfs/dbraw/zinc/03/32/23/395033223.db2.gz OQSRBFFQGQRZFI-CYBMUJFWSA-N 0 3 251.370 2.454 20 30 CEEDHN CC#CCN(C)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416238030 395036195 /nfs/dbraw/zinc/03/61/95/395036195.db2.gz GPSJFZOQVHPPMU-HNNXBMFYSA-N 0 3 258.365 2.161 20 30 CEEDHN C#CCSCCN[C@@H](C)c1cc(OC)ncc1F ZINC000287308136 395038223 /nfs/dbraw/zinc/03/82/23/395038223.db2.gz CUSHGWHCYZXNHC-JTQLQIEISA-N 0 3 268.357 2.246 20 30 CEEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)CN(CC)CC ZINC000287631157 395044914 /nfs/dbraw/zinc/04/49/14/395044914.db2.gz ZOJIGXLKSKEAST-INIZCTEOSA-N 0 3 272.392 2.079 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N1CCCN(CCCOC)CC1 ZINC000376381737 395118637 /nfs/dbraw/zinc/11/86/37/395118637.db2.gz BUHCPXGNXOEYRI-OAHLLOKOSA-N 0 3 297.443 2.095 20 30 CEEDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000348187745 395138818 /nfs/dbraw/zinc/13/88/18/395138818.db2.gz SSSVXBBGAXRMOX-CABCVRRESA-N 0 3 290.794 2.196 20 30 CEEDHN C=CCN(CCN1CCCOCC1)Cc1cccc(C#N)c1 ZINC000429701644 395158775 /nfs/dbraw/zinc/15/87/75/395158775.db2.gz WFNCTABZJCEPSH-UHFFFAOYSA-N 0 3 299.418 2.269 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](CN2CCOC2=O)C1 ZINC000496199997 395153878 /nfs/dbraw/zinc/15/38/78/395153878.db2.gz XHWVKIOKPSGRNE-ZFWWWQNUSA-N 0 3 299.374 2.393 20 30 CEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178504279 395168182 /nfs/dbraw/zinc/16/81/82/395168182.db2.gz ZOUPWVHMTJPRLC-DOTOQJQBSA-N 0 3 299.418 2.273 20 30 CEEDHN CCN(C(=O)C(C)C#N)[C@@H](COC)Cc1ccccc1 ZINC000349563274 395170636 /nfs/dbraw/zinc/17/06/36/395170636.db2.gz FZUPHKPFTPIHBY-DZGCQCFKSA-N 0 3 274.364 2.252 20 30 CEEDHN C=CCCCCNC(=O)NC[C@@H](N)c1ccccc1 ZINC000418023824 395171992 /nfs/dbraw/zinc/17/19/92/395171992.db2.gz CFTPKMRBMARMDB-CQSZACIVSA-N 0 3 261.369 2.342 20 30 CEEDHN CO[C@H]1C[C@H](NCc2cnc3ccc(C#N)cn23)C12CCC2 ZINC000516006234 395177953 /nfs/dbraw/zinc/17/79/53/395177953.db2.gz UCFZYKOHSJOOKR-GJZGRUSLSA-N 0 3 296.374 2.253 20 30 CEEDHN C=CCOCCN(C)Cc1ccccc1N1CCOCC1 ZINC000293318179 395228106 /nfs/dbraw/zinc/22/81/06/395228106.db2.gz CEJHRJPPOYECMA-UHFFFAOYSA-N 0 3 290.407 2.158 20 30 CEEDHN C=CCSCCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000351804506 395233506 /nfs/dbraw/zinc/23/35/06/395233506.db2.gz RVANBWQHGCVUDZ-ZDUSSCGKSA-N 0 3 299.484 2.277 20 30 CEEDHN C=CCN(CC=C)C(=O)CN1C[C@H](C)CC1(C)C ZINC000350181324 395183449 /nfs/dbraw/zinc/18/34/49/395183449.db2.gz NQUNCQZHHPDGPN-CYBMUJFWSA-N 0 3 250.386 2.307 20 30 CEEDHN C=CCOc1ccc(CN[C@H]2C[C@@](C)(O)C2)cc1OC ZINC000418111239 395192658 /nfs/dbraw/zinc/19/26/58/395192658.db2.gz KIPVYBHFECRAEE-AKAXFMLLSA-N 0 3 277.364 2.263 20 30 CEEDHN C#CCOc1ccccc1CNC[C@@]1(O)CCC[C@@H]1C ZINC000293191559 395223649 /nfs/dbraw/zinc/22/36/49/395223649.db2.gz XEYCUISINCZHFC-YOEHRIQHSA-N 0 3 273.376 2.339 20 30 CEEDHN C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)[C@H](C)CN1 ZINC000420243989 395284542 /nfs/dbraw/zinc/28/45/42/395284542.db2.gz YAVQUGBDABNYHT-RKDXNWHRSA-N 0 3 284.285 2.159 20 30 CEEDHN CN(Cc1ccc(F)c(C#N)c1)CC(C)(C)CO ZINC000295330991 395292536 /nfs/dbraw/zinc/29/25/36/395292536.db2.gz XCVYUNRONHQQMN-UHFFFAOYSA-N 0 3 250.317 2.148 20 30 CEEDHN CC#CCCNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000354113254 395316206 /nfs/dbraw/zinc/31/62/06/395316206.db2.gz SJMYDJBPCQETEM-CQSZACIVSA-N 0 3 250.386 2.027 20 30 CEEDHN C#CCN(C)CCCNC(=O)Cc1cccc(Cl)c1F ZINC000293934251 395259382 /nfs/dbraw/zinc/25/93/82/395259382.db2.gz IHPVGUXCSGVBLR-UHFFFAOYSA-N 0 3 296.773 2.093 20 30 CEEDHN CNC(=O)C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442867295 395397856 /nfs/dbraw/zinc/39/78/56/395397856.db2.gz NUFNTQUVMQLAAR-SNPRPXQTSA-N 0 3 271.364 2.146 20 30 CEEDHN C(#Cc1ccccc1)CN1CCC[C@H](CN2CCOCC2)C1 ZINC000192021044 395369826 /nfs/dbraw/zinc/36/98/26/395369826.db2.gz YBJMXOOQZDYKPK-IBGZPJMESA-N 0 3 298.430 2.082 20 30 CEEDHN CC1(CN2CCCN(c3ccccc3C#N)CC2)COC1 ZINC000441174580 395378660 /nfs/dbraw/zinc/37/86/60/395378660.db2.gz JTSDXKFTVPFPLN-UHFFFAOYSA-N 0 3 285.391 2.107 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2ccc(CN3CCOCC3)cc2)C1 ZINC000442641241 395388632 /nfs/dbraw/zinc/38/86/32/395388632.db2.gz CWHLABSKPRLWRY-ZWKOTPCHSA-N 0 3 299.418 2.301 20 30 CEEDHN C[C@H](CCC#N)N1CCSC2(CCOCC2)C1 ZINC000411539445 395330453 /nfs/dbraw/zinc/33/04/53/395330453.db2.gz CTBQSURGJFIPHC-GFCCVEGCSA-N 0 3 254.399 2.277 20 30 CEEDHN CCCN(CCN1CCCC1)C[C@H](C#N)CCC#N ZINC000411720410 395337136 /nfs/dbraw/zinc/33/71/36/395337136.db2.gz PSSSYJALRINMMR-HNNXBMFYSA-N 0 3 262.401 2.238 20 30 CEEDHN CC#CCN(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000297331096 395337823 /nfs/dbraw/zinc/33/78/23/395337823.db2.gz HRLOUHDXEPGXFU-QGZVFWFLSA-N 0 3 299.418 2.488 20 30 CEEDHN CC#CCN(C)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000411771156 395338663 /nfs/dbraw/zinc/33/86/63/395338663.db2.gz NJTGAFMULWTTQQ-UHFFFAOYSA-N 0 3 266.291 2.249 20 30 CEEDHN CCNC(=O)C(C)(C)NCCC1(C#N)CCCCC1 ZINC000411826085 395338794 /nfs/dbraw/zinc/33/87/94/395338794.db2.gz YPSNRFPWPMOCQN-UHFFFAOYSA-N 0 3 265.401 2.355 20 30 CEEDHN OC[C@@H](NCC#Cc1cccc(Cl)c1)[C@@H]1CCCOC1 ZINC000411983735 395345493 /nfs/dbraw/zinc/34/54/93/395345493.db2.gz CBAZWKQFIWRKJU-GDBMZVCRSA-N 0 3 293.794 2.069 20 30 CEEDHN C=CCN(CCOC)CCC(=O)Nc1cccc(C#N)c1 ZINC000191122059 395349912 /nfs/dbraw/zinc/34/99/12/395349912.db2.gz WFYBERFHCBOAIM-UHFFFAOYSA-N 0 3 287.363 2.021 20 30 CEEDHN N#Cc1ccc(NC[C@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000192956828 395397288 /nfs/dbraw/zinc/39/72/88/395397288.db2.gz WKVIINKFUQWYFT-OAHLLOKOSA-N 0 3 293.374 2.282 20 30 CEEDHN N#Cc1ccc(CN2CCCC[C@H]2C2(O)CC2)s1 ZINC000565372354 395468951 /nfs/dbraw/zinc/46/89/51/395468951.db2.gz VZOVCHUPYVFNDR-ZDUSSCGKSA-N 0 3 262.378 2.499 20 30 CEEDHN CC1(C)CCCN(CCNc2cccc(C#N)n2)C1 ZINC000443967976 395408424 /nfs/dbraw/zinc/40/84/24/395408424.db2.gz VJMNZEYJSIZLFN-UHFFFAOYSA-N 0 3 258.369 2.487 20 30 CEEDHN CCN(CC(=O)N(C)C1(C#N)CCCCC1)C(C)C ZINC000194093141 395424503 /nfs/dbraw/zinc/42/45/03/395424503.db2.gz XFRZEIIFUKBFGS-UHFFFAOYSA-N 0 3 265.401 2.402 20 30 CEEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(CCC#N)CC1CC1 ZINC000355408274 395438976 /nfs/dbraw/zinc/43/89/76/395438976.db2.gz JVKRIZHCXIJZGC-BETUJISGSA-N 0 3 263.385 2.011 20 30 CEEDHN CCNC(=O)[C@H](C)N[C@H](CC)c1ccc(C#N)cc1 ZINC000447513148 395505480 /nfs/dbraw/zinc/50/54/80/395505480.db2.gz SWSFXOHUKMEACM-SMDDNHRTSA-N 0 3 259.353 2.124 20 30 CEEDHN C=CCN1CCC(NC(=O)[C@@]2(C)CC=CCC2)CC1 ZINC000448919584 395543203 /nfs/dbraw/zinc/54/32/03/395543203.db2.gz BOSMLEZBCFUSKW-INIZCTEOSA-N 0 3 262.397 2.499 20 30 CEEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)[C@H]1CC2CCC1CC2 ZINC000568102490 395548371 /nfs/dbraw/zinc/54/83/71/395548371.db2.gz XZPUXLMKBUYXMR-RYKAKRHSSA-N 0 3 277.412 2.339 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(OC)c1OC ZINC000449523296 395553119 /nfs/dbraw/zinc/55/31/19/395553119.db2.gz XJYZXKRPPYPAGP-OLZOCXBDSA-N 0 3 263.337 2.137 20 30 CEEDHN CCC[C@@H](C)[C@@H](CO)NCc1ccc(C#N)cc1OC ZINC000568752202 395570045 /nfs/dbraw/zinc/57/00/45/395570045.db2.gz CKBJYBKNWQAYPJ-IUODEOHRSA-N 0 3 276.380 2.454 20 30 CEEDHN N#Cc1cccc(Cl)c1NC[C@H]1CCCN1CCCO ZINC000450600297 395573105 /nfs/dbraw/zinc/57/31/05/395573105.db2.gz VKZIVZHUJXLWFM-CYBMUJFWSA-N 0 3 293.798 2.470 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1NCc1cn(-c2ccncc2)nc1C ZINC000569307016 395576082 /nfs/dbraw/zinc/57/60/82/395576082.db2.gz SBGUNLJJXCIAMS-CVEARBPZSA-N 0 3 284.363 2.009 20 30 CEEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)CN1CC[C@@H](C)C1 ZINC000570939326 395584031 /nfs/dbraw/zinc/58/40/31/395584031.db2.gz DNELDPCANHJLHQ-OAHLLOKOSA-N 0 3 297.402 2.415 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](OC(C)C)C1 ZINC000572517178 395586792 /nfs/dbraw/zinc/58/67/92/395586792.db2.gz DZJKKDDDGIDNSU-HUUCEWRRSA-N 0 3 280.412 2.075 20 30 CEEDHN Cc1c(C#N)cccc1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452169252 395626132 /nfs/dbraw/zinc/62/61/32/395626132.db2.gz FRYZHZLJWFQTHQ-ZDUSSCGKSA-N 0 3 297.402 2.423 20 30 CEEDHN CC1(C)CCCN1CCNC(=O)c1cccc(F)c1C#N ZINC000457050575 395634630 /nfs/dbraw/zinc/63/46/30/395634630.db2.gz GPXRZWWYFSSNGZ-UHFFFAOYSA-N 0 3 289.354 2.302 20 30 CEEDHN CC(C)(CN1CCCC1)NC(=O)c1ccc(F)c(C#N)c1 ZINC000457048537 395634660 /nfs/dbraw/zinc/63/46/60/395634660.db2.gz JJACNCYTMVJILO-UHFFFAOYSA-N 0 3 289.354 2.302 20 30 CEEDHN CON1CCC(N(C)Cc2ccc(C#N)c(F)c2)CC1 ZINC000459584388 395666308 /nfs/dbraw/zinc/66/63/08/395666308.db2.gz VAECESXQIGDHEC-UHFFFAOYSA-N 0 3 277.343 2.155 20 30 CEEDHN CC(C)COC[C@H](O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595635909 395666392 /nfs/dbraw/zinc/66/63/92/395666392.db2.gz PBRYUMGRNDWOGB-MRXNPFEDSA-N 0 3 290.407 2.416 20 30 CEEDHN Cc1nc(NCCN2CCCC(C)(C)C2)ccc1C#N ZINC000487725689 395667394 /nfs/dbraw/zinc/66/73/94/395667394.db2.gz CEAQVUPIZFGYMO-UHFFFAOYSA-N 0 3 272.396 2.218 20 30 CEEDHN CC(C)[C@H]1CN(Cc2cc(F)ccc2C#N)CCN1C ZINC000488039007 395667839 /nfs/dbraw/zinc/66/78/39/395667839.db2.gz BVCGCZRCFKRXLN-MRXNPFEDSA-N 0 3 275.371 2.469 20 30 CEEDHN C=CCN1CCC(NC(=O)c2cccc(SC)n2)CC1 ZINC000648773533 395980252 /nfs/dbraw/zinc/98/02/52/395980252.db2.gz OGMILNZDQXEOJF-UHFFFAOYSA-N 0 3 291.420 2.184 20 30 CEEDHN C=C(C)[C@H](CO)N1CCc2ccc(C(C)=O)cc2CC1 ZINC000649397071 396141368 /nfs/dbraw/zinc/14/13/68/396141368.db2.gz PSCDRPHCESVYOI-KRWDZBQOSA-N 0 3 273.376 2.227 20 30 CEEDHN C=C(C)[C@H](CO)N(C)C[C@@H]1CN(CC)c2ccccc2O1 ZINC000649233055 396097890 /nfs/dbraw/zinc/09/78/90/396097890.db2.gz JJJKTXJLFBWEBS-ZBFHGGJFSA-N 0 3 290.407 2.143 20 30 CEEDHN C=C(C)COCCNCc1ccnn1CC(C)C ZINC000647192638 396435937 /nfs/dbraw/zinc/43/59/37/396435937.db2.gz QGANQXBUCZEISS-UHFFFAOYSA-N 0 3 251.374 2.221 20 30 CEEDHN CC[C@H]1[C@@H](CO)CCN1Cc1ccc(OC)c(C#N)c1 ZINC000395081226 400554635 /nfs/dbraw/zinc/55/46/35/400554635.db2.gz ADEDPSPOQPEXQU-HIFRSBDPSA-N 0 3 274.364 2.160 20 30 CEEDHN COCC[C@@]1(NCc2ccc(C#N)c(C)c2)CCOC1 ZINC000488978406 400586656 /nfs/dbraw/zinc/58/66/56/400586656.db2.gz KCGDTLKBNBKWRT-MRXNPFEDSA-N 0 3 274.364 2.152 20 30 CEEDHN C#CC(C)(C)N(C)Cc1cccc(CN2CCOCC2)c1 ZINC000491619507 400592743 /nfs/dbraw/zinc/59/27/43/400592743.db2.gz BHINZGPRNFWVSA-UHFFFAOYSA-N 0 3 286.419 2.362 20 30 CEEDHN C=CC[C@@H]1CC[C@@H](NCc2nnnn2-c2ccccc2)C1 ZINC000651690842 401372882 /nfs/dbraw/zinc/37/28/82/401372882.db2.gz YINJFNNFZYLNTQ-ZIAGYGMSSA-N 0 3 283.379 2.497 20 30 CEEDHN C=CCC[C@@H](NCC[C@]1(O)CCOC1)c1ccco1 ZINC000652261257 401475698 /nfs/dbraw/zinc/47/56/98/401475698.db2.gz AMIAQIPMJFRULO-HIFRSBDPSA-N 0 3 265.353 2.418 20 30 CEEDHN N#Cc1cccc(OCCCN2CCOCC3(CC3)C2)c1 ZINC000360087849 155211663 /nfs/dbraw/zinc/21/16/63/155211663.db2.gz JMLIAJARPCITOO-UHFFFAOYSA-N 0 3 286.375 2.440 20 30 CEEDHN C[C@H](C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)c1cccc(C#N)c1 ZINC000360338995 155275841 /nfs/dbraw/zinc/27/58/41/155275841.db2.gz ZELBUFHJEIYREB-IIYDPXPESA-N 0 3 297.402 2.261 20 30 CEEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC(C)(C#N)CC1 ZINC000335971753 296644059 /nfs/dbraw/zinc/64/40/59/296644059.db2.gz ISCSYQDZDWQRTD-CHWSQXEVSA-N 0 3 263.385 2.011 20 30 CEEDHN Cc1ccc([C@H](CNc2cnc(C#N)cn2)N2CCCC2)o1 ZINC000123366369 292256912 /nfs/dbraw/zinc/25/69/12/292256912.db2.gz STPHTXBXJQXDMQ-AWEZNQCLSA-N 0 3 297.362 2.499 20 30 CEEDHN N#Cc1ccc(CN2CCN(CC3CC3)CC2)cc1F ZINC000191951616 153198201 /nfs/dbraw/zinc/19/82/01/153198201.db2.gz ZQDBIUWYKGDSIM-UHFFFAOYSA-N 0 3 273.355 2.225 20 30 CEEDHN N#Cc1ccc(CN2CCCN(C3CC3)CC2)cc1F ZINC000191973605 153199566 /nfs/dbraw/zinc/19/95/66/153199566.db2.gz AJAWXRDNMSSFJG-UHFFFAOYSA-N 0 3 273.355 2.367 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccncc1C#N ZINC000364349111 156065726 /nfs/dbraw/zinc/06/57/26/156065726.db2.gz WKZWMYSGWQXLMS-KDOFPFPSSA-N 0 3 292.386 2.308 20 30 CEEDHN N#Cc1ccc(CNCC[C@@H]2C(=O)Nc3ccccc32)o1 ZINC000174245775 165100610 /nfs/dbraw/zinc/10/06/10/165100610.db2.gz VNKDYFLSDTWUBX-AWEZNQCLSA-N 0 3 281.315 2.367 20 30 CEEDHN CC(C)(C)c1ccc(CNCCn2cnc(C#N)n2)s1 ZINC000285479551 196298400 /nfs/dbraw/zinc/29/84/00/196298400.db2.gz LEBIVMBJXSMLMJ-UHFFFAOYSA-N 0 3 289.408 2.299 20 30 CEEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](C)CCN2)C1 ZINC000662857144 414776803 /nfs/dbraw/zinc/77/68/03/414776803.db2.gz FVQVTZBSFMKSLJ-MCIONIFRSA-N 0 3 250.386 2.189 20 30 CEEDHN C[C@@H]1[C@H](Nc2ccnc(C#N)n2)CCN1Cc1ccccc1 ZINC000309970589 414856292 /nfs/dbraw/zinc/85/62/92/414856292.db2.gz NIHXBESSMACMKR-UKRRQHHQSA-N 0 3 293.374 2.423 20 30 CEEDHN C=CCCCCCNC(=O)N[C@H]1CCCN(C)C1 ZINC000654395125 414923818 /nfs/dbraw/zinc/92/38/18/414923818.db2.gz BOASIETVBURWGD-ZDUSSCGKSA-N 0 3 253.390 2.126 20 30 CEEDHN C=CCCn1cc(CNC[C@H](C)N2CCC(C)CC2)nn1 ZINC000657335952 414868946 /nfs/dbraw/zinc/86/89/46/414868946.db2.gz VIDJOFMXNNCDFQ-HNNXBMFYSA-N 0 3 291.443 2.064 20 30 CEEDHN C=CCCNC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000660611267 414895909 /nfs/dbraw/zinc/89/59/09/414895909.db2.gz ITPDEYPLLWRSNP-STQMWFEESA-N 0 3 253.390 2.125 20 30 CEEDHN C=C(C)CN(C)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654732421 415021417 /nfs/dbraw/zinc/02/14/17/415021417.db2.gz ZCFLUCDEYZMQSJ-KBPBESRZSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCCCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661092156 415090305 /nfs/dbraw/zinc/09/03/05/415090305.db2.gz TUJDKEJDMXEBIO-LBPRGKRZSA-N 0 3 253.390 2.125 20 30 CEEDHN C=C(C)CN(C)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654732423 415021669 /nfs/dbraw/zinc/02/16/69/415021669.db2.gz ZCFLUCDEYZMQSJ-UONOGXRCSA-N 0 3 265.401 2.221 20 30 CEEDHN C=CCN(C(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CC1 ZINC000654731094 415022781 /nfs/dbraw/zinc/02/27/81/415022781.db2.gz BWIQFRJEJYAPPM-LSDHHAIUSA-N 0 3 277.412 2.363 20 30 CEEDHN C=CCN(C[C@@H](O)COc1ccccc1F)[C@H](C)COC ZINC000661249058 415158515 /nfs/dbraw/zinc/15/85/15/415158515.db2.gz YNMMLYHWYANPIL-ZIAGYGMSSA-N 0 3 297.370 2.088 20 30 CEEDHN C=CCCn1cc(CN2CCC[C@@H]2[C@H]2CCCOC2)nn1 ZINC000653775279 415100917 /nfs/dbraw/zinc/10/09/17/415100917.db2.gz USFCQEUWXJZIDU-GOEBONIOSA-N 0 3 290.411 2.245 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N[C@@H]1CCN(CCC)C1 ZINC000661121001 415104119 /nfs/dbraw/zinc/10/41/19/415104119.db2.gz AGEKUHQWUCGJCA-CHWSQXEVSA-N 0 3 253.390 2.125 20 30 CEEDHN C=CCCN(C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661403293 415242930 /nfs/dbraw/zinc/24/29/30/415242930.db2.gz KXVHSKFIHNHIIM-LBPRGKRZSA-N 0 3 253.390 2.077 20 30 CEEDHN C=CCOCCCN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000658206018 415256577 /nfs/dbraw/zinc/25/65/77/415256577.db2.gz KWKJQJYDCMRTRW-HNNXBMFYSA-N 0 3 290.342 2.216 20 30 CEEDHN C=CCC[C@@H](NC[C@]1(OCCO)CCOC1)c1ccco1 ZINC000658145219 415232097 /nfs/dbraw/zinc/23/20/97/415232097.db2.gz QHQNFRSFXHCERX-GDBMZVCRSA-N 0 3 295.379 2.045 20 30 CEEDHN C=CCNC(=O)CN1CC[C@H](C2CCCCC2)C1 ZINC000661586910 415341265 /nfs/dbraw/zinc/34/12/65/415341265.db2.gz WPEKAXMZJLBUDT-AWEZNQCLSA-N 0 3 250.386 2.191 20 30 CEEDHN C=CC[C@@H](CC)NC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000664812545 415485478 /nfs/dbraw/zinc/48/54/78/415485478.db2.gz YSQJQNMQJVMATA-KGLIPLIRSA-N 0 3 267.417 2.467 20 30 CEEDHN C=CCC[C@H](O)CN1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664869760 415506108 /nfs/dbraw/zinc/50/61/08/415506108.db2.gz YGLXHOPZMPNNQD-ZDUSSCGKSA-N 0 3 263.385 2.121 20 30 CEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N(C)C(C)C ZINC000662083630 415617603 /nfs/dbraw/zinc/61/76/03/415617603.db2.gz ICSPDKAVLFAHKV-MCIONIFRSA-N 0 3 250.386 2.425 20 30 CEEDHN C=CCNC(=O)[C@H](C)N(C)C[C@@H]1CCc2ccccc21 ZINC000662199847 415681173 /nfs/dbraw/zinc/68/11/73/415681173.db2.gz ATGOIMBBUKHLKM-ZFWWWQNUSA-N 0 3 272.392 2.339 20 30 CEEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc2n1CCOC2 ZINC000656401367 415691933 /nfs/dbraw/zinc/69/19/33/415691933.db2.gz DBVHGOPBQGEJGW-OLZOCXBDSA-N 0 3 276.384 2.033 20 30 CEEDHN C=CCN(CCc1ccco1)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000660224050 415929851 /nfs/dbraw/zinc/92/98/51/415929851.db2.gz HPCQIEZFXKAHNH-IYBDPMFKSA-N 0 3 292.423 2.419 20 30 CEEDHN C=CCOCCCNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000662663895 415923530 /nfs/dbraw/zinc/92/35/30/415923530.db2.gz MDTQCZJWPUNNOA-HNNXBMFYSA-N 0 3 290.407 2.422 20 30 CEEDHN C=CCOCCCNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000662664902 415924730 /nfs/dbraw/zinc/92/47/30/415924730.db2.gz WLWSNYKBHORGPO-ZFWWWQNUSA-N 0 3 276.380 2.031 20 30 CEEDHN C=CC[C@@]1(C(=O)Nc2ccc(C)cc2[O-])CCC[NH2+]1 ZINC000662785463 415960815 /nfs/dbraw/zinc/96/08/15/415960815.db2.gz JBIBYEWTUMWYOQ-HNNXBMFYSA-N 0 3 260.337 2.337 20 30 CEEDHN C=CCN(CCc1ccco1)C[C@@H](OC)[C@H]1CCOC1 ZINC000660223599 415930767 /nfs/dbraw/zinc/93/07/67/415930767.db2.gz DXAPWXXFGSBHDH-GOEBONIOSA-N 0 3 279.380 2.362 20 30 CEEDHN C[C@@H]1CN(Cc2ccccc2)CCN1CCCC#N ZINC000076802423 177100459 /nfs/dbraw/zinc/10/04/59/177100459.db2.gz VJJVLTYDHLKZMP-OAHLLOKOSA-N 0 3 257.381 2.496 20 30 CEEDHN N#CCOc1ccc(CN2CCCC[C@H]2CCO)cc1 ZINC000077012510 177147737 /nfs/dbraw/zinc/14/77/37/177147737.db2.gz KPCHNYKVQDEENM-HNNXBMFYSA-N 0 3 274.364 2.326 20 30 CEEDHN C=CCNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000078331400 177333091 /nfs/dbraw/zinc/33/30/91/177333091.db2.gz ARSAUQLMYJNXOE-OAHLLOKOSA-N 0 3 275.396 2.337 20 30 CEEDHN C[C@@H](CN1CCN(C)CC1)Nc1ccc(C#N)c(Cl)c1 ZINC000078619302 177360848 /nfs/dbraw/zinc/36/08/48/177360848.db2.gz JKSSGNQYRPVDER-LBPRGKRZSA-N 0 3 292.814 2.259 20 30 CEEDHN C=CCNC(=O)CN1CCC[C@H]1Cc1ccc(C)cc1 ZINC000078696584 177372891 /nfs/dbraw/zinc/37/28/91/177372891.db2.gz BWMSQNLFQVFSAU-INIZCTEOSA-N 0 3 272.392 2.304 20 30 CEEDHN C=CCN1C(=O)c2ccccc2N[C@@H]1c1nc[nH]c1C ZINC000078752578 177381822 /nfs/dbraw/zinc/38/18/22/177381822.db2.gz AJEINNZEVUIQRL-AWEZNQCLSA-N 0 3 268.320 2.471 20 30 CEEDHN C[C@H]1[C@@H](NC(=O)Nc2ccc(CC#N)cc2)CCCN1C ZINC000344878032 225190728 /nfs/dbraw/zinc/19/07/28/225190728.db2.gz HJOXQTSVDFUROA-WFASDCNBSA-N 0 3 286.379 2.357 20 30 CEEDHN C[C@H]1CN(C2CCOCC2)CCN1CCC(C)(C)C#N ZINC000347125289 226036162 /nfs/dbraw/zinc/03/61/62/226036162.db2.gz JNKYOCVUJQDKJM-AWEZNQCLSA-N 0 3 279.428 2.111 20 30 CEEDHN CC(C#N)C(=O)NCCOc1ccccc1C(F)(F)F ZINC000347093690 226046831 /nfs/dbraw/zinc/04/68/31/226046831.db2.gz BJFLUUNGMIPGQD-SECBINFHSA-N 0 3 286.253 2.360 20 30 CEEDHN COCCN(C(=O)C(C)C#N)[C@@H](C)c1ccccc1 ZINC000347035012 226022032 /nfs/dbraw/zinc/02/20/32/226022032.db2.gz JVXVFVBPPVVUOU-OLZOCXBDSA-N 0 3 260.337 2.382 20 30 CEEDHN CN(C)CCN(CC#Cc1ccccc1)Cc1ccccn1 ZINC000575192612 335078257 /nfs/dbraw/zinc/07/82/57/335078257.db2.gz HWKZRMFTCKWBCR-UHFFFAOYSA-N 0 3 293.414 2.497 20 30 CEEDHN C[C@H]1C[C@@H](NC(=O)NCC(C)(C)CCC#N)CCN1C ZINC000353639329 228137102 /nfs/dbraw/zinc/13/71/02/228137102.db2.gz QULMFLSFDBIIMY-STQMWFEESA-N 0 3 280.416 2.098 20 30 CEEDHN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000333309845 228196899 /nfs/dbraw/zinc/19/68/99/228196899.db2.gz LMDNQCJWLLWKRJ-DOMZBBRYSA-N 0 3 284.363 2.146 20 30 CEEDHN C=C[C@](C)(O)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000666219374 419588767 /nfs/dbraw/zinc/58/87/67/419588767.db2.gz MQSBLRBKXUGIKA-INIZCTEOSA-N 0 3 276.380 2.404 20 30 CEEDHN C=C[C@@H]1CCCCN1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000667804684 419812950 /nfs/dbraw/zinc/81/29/50/419812950.db2.gz MSSRLYPWSGMIMS-CQSZACIVSA-N 0 3 286.379 2.300 20 30 CEEDHN CN(CC(=O)N[C@](C)(C#N)C1CC1)C1CCCCC1 ZINC000007016171 260025185 /nfs/dbraw/zinc/02/51/85/260025185.db2.gz LBYYRIQTXJMPDH-OAHLLOKOSA-N 0 3 263.385 2.059 20 30 CEEDHN C=CCOc1ccc(CN[C@H](C)CN2CCCC2=O)cc1 ZINC000037783026 260117541 /nfs/dbraw/zinc/11/75/41/260117541.db2.gz XTNPTJMBCPCVSA-CQSZACIVSA-N 0 3 288.391 2.352 20 30 CEEDHN C=CCOc1ccccc1CN[C@@H](C)CN1CCCC1=O ZINC000037782495 260117545 /nfs/dbraw/zinc/11/75/45/260117545.db2.gz LVTRSOUJPCPOML-AWEZNQCLSA-N 0 3 288.391 2.352 20 30 CEEDHN C=CCNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000297466663 260127261 /nfs/dbraw/zinc/12/72/61/260127261.db2.gz YBEDXMOHOZFIRC-AWEZNQCLSA-N 0 3 293.436 2.496 20 30 CEEDHN C#Cc1ccc(CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000297757833 260133672 /nfs/dbraw/zinc/13/36/72/260133672.db2.gz VNNWWWKXWFVTFV-PBHICJAKSA-N 0 3 299.418 2.292 20 30 CEEDHN C#C[C@@H](CC)N[C@@H](C)Cn1cc(Br)cn1 ZINC000309246120 260149588 /nfs/dbraw/zinc/14/95/88/260149588.db2.gz ZEIRFKJMZLBOEG-ONGXEEELSA-N 0 3 270.174 2.036 20 30 CEEDHN Cc1nc(C)n(C[C@H]2CCCN2CCC(C)(C)C#N)n1 ZINC000363472627 260323261 /nfs/dbraw/zinc/32/32/61/260323261.db2.gz SCOLDNFDWPOLAG-CQSZACIVSA-N 0 3 275.400 2.299 20 30 CEEDHN C=CCNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000517943788 260323342 /nfs/dbraw/zinc/32/33/42/260323342.db2.gz RIUAONLEIXVLPO-MRXNPFEDSA-N 0 3 273.380 2.136 20 30 CEEDHN C=CCCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000448381844 261137271 /nfs/dbraw/zinc/13/72/71/261137271.db2.gz FEXMFSCXZCZMOQ-UHFFFAOYSA-N 0 3 265.401 2.222 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000490555230 261161666 /nfs/dbraw/zinc/16/16/66/261161666.db2.gz ACECXYFBXHZIOW-ZFWWWQNUSA-N 0 3 262.397 2.027 20 30 CEEDHN N#CCCCCN(CCC1CCCCC1)CC(N)=O ZINC000102401710 261235067 /nfs/dbraw/zinc/23/50/67/261235067.db2.gz NQMOQMGYOGDIEV-UHFFFAOYSA-N 0 3 265.401 2.438 20 30 CEEDHN C=CCN1CCC(NC(=O)N2CC[C@H](CC)C2)CC1 ZINC000176453579 261287350 /nfs/dbraw/zinc/28/73/50/261287350.db2.gz BUEOHKYDCMURIC-ZDUSSCGKSA-N 0 3 265.401 2.078 20 30 CEEDHN C#CCN(CC)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000491338166 261413288 /nfs/dbraw/zinc/41/32/88/261413288.db2.gz GOCJYDZRSRPHSN-UHFFFAOYSA-N 0 3 266.385 2.246 20 30 CEEDHN C[C@@]1(NCc2ccc(C#N)cn2)CCO[C@H]1C1CC1 ZINC000517387546 269868182 /nfs/dbraw/zinc/86/81/82/269868182.db2.gz JQLSHOSCSVWCLK-LSDHHAIUSA-N 0 3 257.337 2.000 20 30 CEEDHN N#CCCCCN1CCSC2(CCOCC2)C1 ZINC000186844608 262111902 /nfs/dbraw/zinc/11/19/02/262111902.db2.gz WMNRQYGTYWGYCP-UHFFFAOYSA-N 0 3 254.399 2.278 20 30 CEEDHN C[C@H](NC(=O)C(C)(C)C#N)[C@@H](c1ccccc1)N(C)C ZINC000186919231 262116604 /nfs/dbraw/zinc/11/66/04/262116604.db2.gz DLDPDBPYMDRSQI-JSGCOSHPSA-N 0 3 273.380 2.344 20 30 CEEDHN C[C@H](Nc1cncc(C#N)n1)[C@@H](c1ccccc1)N(C)C ZINC000420630341 269882296 /nfs/dbraw/zinc/88/22/96/269882296.db2.gz RRGFDVSNGYTTOP-LRDDRELGSA-N 0 3 281.363 2.452 20 30 CEEDHN C=CCC1(C(=O)N2CCCN(CC(C)(C)O)CC2)CCC1 ZINC000365082077 262277269 /nfs/dbraw/zinc/27/72/69/262277269.db2.gz CPWPPGRDVPNTAA-UHFFFAOYSA-N 0 3 294.439 2.038 20 30 CEEDHN CC(C#N)C(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000495575687 262279602 /nfs/dbraw/zinc/27/96/02/262279602.db2.gz SYCKPPCEJGWLRD-NSHDSACASA-N 0 3 295.383 2.052 20 30 CEEDHN C[C@@H]1CCCN(CCNC(=O)c2cccc(F)c2C#N)C1 ZINC000188266272 262287023 /nfs/dbraw/zinc/28/70/23/262287023.db2.gz MHNGHOXNCKDNMZ-GFCCVEGCSA-N 0 3 289.354 2.159 20 30 CEEDHN C=CCC[C@H](O)CN1CC[C@@H](Oc2cccnc2C)C1 ZINC000365278590 262357728 /nfs/dbraw/zinc/35/77/28/262357728.db2.gz WTMJHRYDJVQHPF-LSDHHAIUSA-N 0 3 276.380 2.170 20 30 CEEDHN CC(C)(C#N)CCCN1CCSC[C@@H]1CCO ZINC000336707384 262382226 /nfs/dbraw/zinc/38/22/26/262382226.db2.gz ORULRHGSHHPABP-LBPRGKRZSA-N 0 3 256.415 2.116 20 30 CEEDHN C=CCN1CC[C@@H](N(C)[C@H](C)Cc2ccc(O)cc2)C1=O ZINC000337164034 262429718 /nfs/dbraw/zinc/42/97/18/262429718.db2.gz XHCWNWWSUMJGMC-CZUORRHYSA-N 0 3 288.391 2.042 20 30 CEEDHN N#CCCOCCN1CCN(CC2CCCCC2)CC1 ZINC000338932437 262572254 /nfs/dbraw/zinc/57/22/54/262572254.db2.gz AEZGNZYVUXUXGJ-UHFFFAOYSA-N 0 3 279.428 2.115 20 30 CEEDHN CN(C)C[C@H]1CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000271931174 263000360 /nfs/dbraw/zinc/00/03/60/263000360.db2.gz JODUJVJTPOOGMM-MRXNPFEDSA-N 0 3 297.402 2.408 20 30 CEEDHN COc1ccc(-c2n[nH]cc2CNCCCC#N)cc1 ZINC000273078382 263012220 /nfs/dbraw/zinc/01/22/20/263012220.db2.gz QAVFKKFECVOWNB-UHFFFAOYSA-N 0 3 270.336 2.479 20 30 CEEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CCSC2)cc1 ZINC000280200377 263059680 /nfs/dbraw/zinc/05/96/80/263059680.db2.gz ZLPXNMHLFSINKE-LSDHHAIUSA-N 0 3 299.399 2.110 20 30 CEEDHN N#CC1(CCCN[C@@H](CCO)c2ccco2)CCOCC1 ZINC000281430853 263068860 /nfs/dbraw/zinc/06/88/60/263068860.db2.gz SKLURKJQIKVCCK-AWEZNQCLSA-N 0 3 292.379 2.393 20 30 CEEDHN CCC(O)(CC)CNC(=N)Nc1cc(F)ccc1F ZINC000288735314 263105782 /nfs/dbraw/zinc/10/57/82/263105782.db2.gz OFXNZPZTJRFGIZ-UHFFFAOYSA-N 0 3 271.311 2.243 20 30 CEEDHN C[C@@H](CNC(=O)CCCC#N)N(C)Cc1ccccc1 ZINC000291713687 263125089 /nfs/dbraw/zinc/12/50/89/263125089.db2.gz OZMJJUDYNRNNPJ-AWEZNQCLSA-N 0 3 273.380 2.317 20 30 CEEDHN C=CCN(CCC#N)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000293746866 263148729 /nfs/dbraw/zinc/14/87/29/263148729.db2.gz LWMJMQLNHBFOIY-IHRRRGAJSA-N 0 3 263.385 2.176 20 30 CEEDHN C=CCN(CCC#N)C(=O)c1ccc(CN(C)C)cc1 ZINC000293988032 263153992 /nfs/dbraw/zinc/15/39/92/263153992.db2.gz XYFQCIOJHVADDZ-UHFFFAOYSA-N 0 3 271.364 2.290 20 30 CEEDHN N#CCCCCN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000340472761 263163830 /nfs/dbraw/zinc/16/38/30/263163830.db2.gz BBHPUGWFRIBITA-CQSZACIVSA-N 0 3 273.315 2.317 20 30 CEEDHN N#CC1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000297555901 263206528 /nfs/dbraw/zinc/20/65/28/263206528.db2.gz BZNXCCLMJLLCDY-KRWDZBQOSA-N 0 3 269.392 2.496 20 30 CEEDHN COCC1(C#N)CCN(CC[C@@H]2CCCCO2)CC1 ZINC000342001257 263375345 /nfs/dbraw/zinc/37/53/45/263375345.db2.gz WFQYUJWDHQBMNV-AWEZNQCLSA-N 0 3 266.385 2.198 20 30 CEEDHN COCC1(C#N)CCN(CCCCCn2cccn2)CC1 ZINC000342004518 263376421 /nfs/dbraw/zinc/37/64/21/263376421.db2.gz YVJZRWPCMCOTCU-UHFFFAOYSA-N 0 3 290.411 2.306 20 30 CEEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc(CNC)c1 ZINC000415932036 263655150 /nfs/dbraw/zinc/65/51/50/263655150.db2.gz NJLCYJSAAKUBQT-CABCVRRESA-N 0 3 289.379 2.261 20 30 CEEDHN CC(C)[C@@H](C)CNC([O-])=[NH+][C@H](C)Cn1ccnc1 ZINC000330836183 264051000 /nfs/dbraw/zinc/05/10/00/264051000.db2.gz WVYDAXGQDUKFHR-NWDGAFQWSA-N 0 3 252.362 2.067 20 30 CEEDHN COc1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000330916988 264092991 /nfs/dbraw/zinc/09/29/91/264092991.db2.gz VVNLCIICMRKQHZ-DGCLKSJQSA-N 0 3 292.379 2.491 20 30 CEEDHN CSc1c(C(=O)NCCN2CCC[C@@H](C)C2)cnn1C ZINC000331082973 264117407 /nfs/dbraw/zinc/11/74/07/264117407.db2.gz OXQZPSGEYCBXLC-LLVKDONJSA-N 0 3 296.440 2.179 20 30 CEEDHN C=CCn1cc(CNC[C@H]2C[C@@H]2c2ccccc2)nn1 ZINC000425351539 264122770 /nfs/dbraw/zinc/12/27/70/264122770.db2.gz JAOSPEXTWBUBMB-GDBMZVCRSA-N 0 3 268.364 2.357 20 30 CEEDHN C=CCOc1ccc(CN2CC[C@@H](CO)[C@H]2C)cc1OC ZINC000426001840 264300371 /nfs/dbraw/zinc/30/03/71/264300371.db2.gz ZJZCRLJKHGDYHQ-HIFRSBDPSA-N 0 3 291.391 2.463 20 30 CEEDHN CC#CCN(C)CC[C@H](C(=O)OC)c1ccccc1 ZINC000425476162 264347414 /nfs/dbraw/zinc/34/74/14/264347414.db2.gz KQESOOLDPKEIOI-HNNXBMFYSA-N 0 3 259.349 2.288 20 30 CEEDHN C=C[C@H](CO)NCc1ccc(OCC)c(OCC)c1 ZINC000289831405 264742467 /nfs/dbraw/zinc/74/24/67/264742467.db2.gz MPTVQLVRRMIXQS-CYBMUJFWSA-N 0 3 265.353 2.121 20 30 CEEDHN Clc1cccc(C#CCN2CC[C@@H](c3nc[nH]n3)C2)c1 ZINC000425552053 264858748 /nfs/dbraw/zinc/85/87/48/264858748.db2.gz RAHGBMCTKYFMEP-CYBMUJFWSA-N 0 3 286.766 2.299 20 30 CEEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000294093159 265007456 /nfs/dbraw/zinc/00/74/56/265007456.db2.gz IZJNBTFHZZXRBW-JSGCOSHPSA-N 0 3 290.363 2.231 20 30 CEEDHN CC#CCCCC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000356294100 266090002 /nfs/dbraw/zinc/09/00/02/266090002.db2.gz JJFFSTZNXIWRCX-MRXNPFEDSA-N 0 3 262.397 2.124 20 30 CEEDHN CC(C#N)C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000356468503 266119024 /nfs/dbraw/zinc/11/90/24/266119024.db2.gz YYJTYJORQDVDDF-LLVKDONJSA-N 0 3 260.312 2.424 20 30 CEEDHN C=CCOc1ccccc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000357412159 266291713 /nfs/dbraw/zinc/29/17/13/266291713.db2.gz KOJGTXDBUGYKKN-UONOGXRCSA-N 0 3 288.391 2.464 20 30 CEEDHN C=CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000357414212 266292878 /nfs/dbraw/zinc/29/28/78/266292878.db2.gz MCMULMNQXNTYEI-DZGCQCFKSA-N 0 3 288.391 2.464 20 30 CEEDHN CC(C#N)C(=O)NCCSCc1ccccc1F ZINC000357841334 266375661 /nfs/dbraw/zinc/37/56/61/266375661.db2.gz VWAGNFQHFQLTJN-SNVBAGLBSA-N 0 3 266.341 2.335 20 30 CEEDHN N#CC(C(=O)c1ccnn1-c1ccccc1)c1ccncn1 ZINC000361793331 266884697 /nfs/dbraw/zinc/88/46/97/266884697.db2.gz WYHFVCISGPHCEY-ZDUSSCGKSA-N 0 3 289.298 2.152 20 30 CEEDHN CCO[C@@H]1COCC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000362030790 266919865 /nfs/dbraw/zinc/91/98/65/266919865.db2.gz YFCLCPLSVZKKAL-JKSUJKDBSA-N 0 3 293.794 2.475 20 30 CEEDHN C=C[C@@H](C)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000362626399 267025633 /nfs/dbraw/zinc/02/56/33/267025633.db2.gz CGRATFIKTDDYGO-GFCCVEGCSA-N 0 3 277.368 2.323 20 30 CEEDHN CCN(CC)C(=O)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000449738211 267055374 /nfs/dbraw/zinc/05/53/74/267055374.db2.gz ZZSKHORGHQUPNH-LBPRGKRZSA-N 0 3 291.370 2.434 20 30 CEEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC2(CCC2)CC1 ZINC000367597544 267103362 /nfs/dbraw/zinc/10/33/62/267103362.db2.gz NPQYKPKUQIRZOO-AWEZNQCLSA-N 0 3 277.412 2.261 20 30 CEEDHN Cc1noc(C2(C)CCN(CCCSCC#N)CC2)n1 ZINC000367981237 267131858 /nfs/dbraw/zinc/13/18/58/267131858.db2.gz JKFZEPQYTHSOLF-UHFFFAOYSA-N 0 3 294.424 2.378 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1C[C@H]2CCCC[C@H]21 ZINC000368053003 267142940 /nfs/dbraw/zinc/14/29/40/267142940.db2.gz BADQODICCDPYGD-RBSFLKMASA-N 0 3 262.397 2.450 20 30 CEEDHN CCO[C@@H]1COC[C@H]1N[C@H](C)c1cccc(C#N)c1 ZINC000451942419 267149548 /nfs/dbraw/zinc/14/95/48/267149548.db2.gz BMFDGWKUFYIABZ-KCPJHIHWSA-N 0 3 260.337 2.013 20 30 CEEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)c(OC)c2)C1 ZINC000459640079 267152899 /nfs/dbraw/zinc/15/28/99/267152899.db2.gz WFOPKOSKIRCWBH-OKILXGFUSA-N 0 3 260.337 2.224 20 30 CEEDHN C=CCC[C@@H](O)CN1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000369052501 267217605 /nfs/dbraw/zinc/21/76/05/267217605.db2.gz BOPDPLNCHDPEND-MGPQQGTHSA-N 0 3 253.386 2.345 20 30 CEEDHN CC[C@H](NC[C@H](O)[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000527958931 267221507 /nfs/dbraw/zinc/22/15/07/267221507.db2.gz XPSKXGFUPCZTER-HRCADAONSA-N 0 3 274.364 2.139 20 30 CEEDHN CC[C@H](NC[C@@H](O)[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000527958925 267221761 /nfs/dbraw/zinc/22/17/61/267221761.db2.gz XPSKXGFUPCZTER-ARFHVFGLSA-N 0 3 274.364 2.139 20 30 CEEDHN C=CCCCN(CCO)Cc1cc(OC)ccc1OC ZINC000117882376 267224319 /nfs/dbraw/zinc/22/43/19/267224319.db2.gz IMZJIQVUYSJJRY-UHFFFAOYSA-N 0 3 279.380 2.464 20 30 CEEDHN CC[C@H]1CCCCN1CCNc1cncc(C#N)n1 ZINC000420593820 267225684 /nfs/dbraw/zinc/22/56/84/267225684.db2.gz CFMKCMMVQMCKBY-ZDUSSCGKSA-N 0 3 259.357 2.025 20 30 CEEDHN CC#CCN1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000369626191 267255242 /nfs/dbraw/zinc/25/52/42/267255242.db2.gz SWGMCZNPGBKWSR-CQSZACIVSA-N 0 3 262.397 2.171 20 30 CEEDHN CN(C(=O)/C=C/c1ccc(C#N)cc1)[C@H]1CCN(C2CC2)C1 ZINC000491684281 267268426 /nfs/dbraw/zinc/26/84/26/267268426.db2.gz DHHYNAZVXPXZGH-NADMHLTPSA-N 0 3 295.386 2.267 20 30 CEEDHN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(CCCCC#N)C1 ZINC000369826843 267269584 /nfs/dbraw/zinc/26/95/84/267269584.db2.gz AYYUWBGQZSOQMW-ZDUSSCGKSA-N 0 3 289.383 2.241 20 30 CEEDHN CN(C)[C@@]1(CNc2c(C#N)cccc2C#N)CCSC1 ZINC000436382172 267287308 /nfs/dbraw/zinc/28/73/08/267287308.db2.gz BPZMNMPZOHBPOF-OAHLLOKOSA-N 0 3 286.404 2.279 20 30 CEEDHN CN(C)[C@H](CNc1nccc(C#N)n1)c1ccccc1 ZINC000450215992 267289437 /nfs/dbraw/zinc/28/94/37/267289437.db2.gz MERMOJRYADRHQD-CQSZACIVSA-N 0 3 267.336 2.063 20 30 CEEDHN C#CCN1CC[C@]2(CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000370100137 267290977 /nfs/dbraw/zinc/29/09/77/267290977.db2.gz FHJZHPCXQOYVSN-CZUORRHYSA-N 0 3 278.396 2.389 20 30 CEEDHN CC(C)(CCC#N)CN1CCCN(C(=O)C2CC2)CC1 ZINC000119083720 267296102 /nfs/dbraw/zinc/29/61/02/267296102.db2.gz DVMGNPSUBBWPMY-UHFFFAOYSA-N 0 3 277.412 2.261 20 30 CEEDHN C=CCCCCNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000370374984 267313231 /nfs/dbraw/zinc/31/32/31/267313231.db2.gz RCPLJWUZSJCZBD-AWEZNQCLSA-N 0 3 265.401 2.222 20 30 CEEDHN CN1CCC[C@@]2(CCN(c3ncc4c(c3C#N)CCC4)C2)C1 ZINC000425257418 267335693 /nfs/dbraw/zinc/33/56/93/267335693.db2.gz CNGMWRKRTWAKRJ-GOSISDBHSA-N 0 3 296.418 2.364 20 30 CEEDHN CN1CC[C@@H]2CN(c3cc(C#N)c4ccccc4n3)C[C@@H]21 ZINC000450780148 267339496 /nfs/dbraw/zinc/33/94/96/267339496.db2.gz PIUHGVCHMIXBSE-WBMJQRKESA-N 0 3 278.359 2.247 20 30 CEEDHN CN1CC[C@@H](Nc2cc(C#N)ncn2)[C@@H]1c1ccccc1 ZINC000516897627 267339644 /nfs/dbraw/zinc/33/96/44/267339644.db2.gz BMCUHWILBKXEIF-ZBFHGGJFSA-N 0 3 279.347 2.206 20 30 CEEDHN COc1ccccc1CC1(O)CCN(CCCC#N)CC1 ZINC000370722736 267341800 /nfs/dbraw/zinc/34/18/00/267341800.db2.gz DMCPXNZWILTZPP-UHFFFAOYSA-N 0 3 288.391 2.368 20 30 CEEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)CN1CCCCCC1 ZINC000450742659 267927885 /nfs/dbraw/zinc/92/78/85/267927885.db2.gz CKAXBWZNQIIGMD-GFCCVEGCSA-N 0 3 288.395 2.189 20 30 CEEDHN C#CCOc1ccccc1CN1CCC[C@@H](c2nnc[nH]2)C1 ZINC000377245753 268060143 /nfs/dbraw/zinc/06/01/43/268060143.db2.gz OMUZTEANWPRIQF-OAHLLOKOSA-N 0 3 296.374 2.196 20 30 CEEDHN N#Cc1ccc(N2CCN(C[C@@H]3CC=CCC3)CC2)nc1 ZINC000193853401 268116531 /nfs/dbraw/zinc/11/65/31/268116531.db2.gz OLSXWUQHIMOSHJ-OAHLLOKOSA-N 0 3 282.391 2.432 20 30 CEEDHN Cn1cc(CN2CCC(CCC#N)CC2)cc1C#N ZINC000517569838 268126571 /nfs/dbraw/zinc/12/65/71/268126571.db2.gz QAVHZWBDRZGUEB-UHFFFAOYSA-N 0 3 256.353 2.413 20 30 CEEDHN N#Cc1ccc(NC[C@H]2CCN2C2CCCC2)cn1 ZINC000528212874 268249615 /nfs/dbraw/zinc/24/96/15/268249615.db2.gz YGOHRZSUENZPSY-OAHLLOKOSA-N 0 3 256.353 2.382 20 30 CEEDHN N#Cc1ccc([C@H](NC2CCC3(CC3)CC2)C(N)=O)cc1 ZINC000517550518 268263252 /nfs/dbraw/zinc/26/32/52/268263252.db2.gz ZBNYFCLZRMVQSA-HNNXBMFYSA-N 0 3 283.375 2.397 20 30 CEEDHN N#Cc1cnn2cc(CN(CC3CC3)C3CCC3)cnc12 ZINC000517567612 268317450 /nfs/dbraw/zinc/31/74/50/268317450.db2.gz UBWDTKUUCYSBIW-UHFFFAOYSA-N 0 3 281.363 2.365 20 30 CEEDHN N#Cc1ncccc1NC[C@@H]1CCN1C1CCCC1 ZINC000528206793 268323810 /nfs/dbraw/zinc/32/38/10/268323810.db2.gz FMJUSTCQFMKFCM-ZDUSSCGKSA-N 0 3 256.353 2.382 20 30 CEEDHN COc1ccc(CNCCOc2ccc(C#N)cc2)cn1 ZINC000436235935 271656062 /nfs/dbraw/zinc/65/60/62/271656062.db2.gz CUDHEJYAJKQZKR-UHFFFAOYSA-N 0 3 283.331 2.130 20 30 CEEDHN C[C@@H](Cn1cccn1)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353266949 274233198 /nfs/dbraw/zinc/23/31/98/274233198.db2.gz JZBMYVWDCFFEGO-LRDDRELGSA-N 0 3 266.348 2.420 20 30 CEEDHN C[C@@H]1C[C@@H](Nc2nc3c(cc2C#N)CCC3)CN1C1CC1 ZINC000267845012 274394798 /nfs/dbraw/zinc/39/47/98/274394798.db2.gz CILXSHGEWBPDRQ-BXUZGUMPSA-N 0 3 282.391 2.479 20 30 CEEDHN Cc1cc(C#N)nc(N2CCC[C@@H]2CN2CCCCC2)n1 ZINC000281194742 274677342 /nfs/dbraw/zinc/67/73/42/274677342.db2.gz OUMCAJLOEXOIPT-OAHLLOKOSA-N 0 3 285.395 2.111 20 30 CEEDHN Cc1nc(N2CCNC(C)(C)C2)c(Cl)cc1C#N ZINC000261576264 274841736 /nfs/dbraw/zinc/84/17/36/274841736.db2.gz NOLVXGCSGSCDQH-UHFFFAOYSA-N 0 3 264.760 2.103 20 30 CEEDHN Cc1nsc(N2C[C@H](N3CCCC3)C[C@H]2C)c1C#N ZINC000286237691 274876275 /nfs/dbraw/zinc/87/62/75/274876275.db2.gz FBQAAYXPTZTDEV-ZYHUDNBSSA-N 0 3 276.409 2.386 20 30 CEEDHN N#CC1(c2ccccc2)CC(NC[C@@H]2CCC[C@@H]2O)C1 ZINC000089164817 274916449 /nfs/dbraw/zinc/91/64/49/274916449.db2.gz GHNWJVZFWZDJPP-PXZKZTPFSA-N 0 3 270.376 2.361 20 30 CEEDHN CCO[C@@H]1COCC[C@H]1N[C@H](C)c1ccc(C#N)cc1 ZINC000354974722 276471277 /nfs/dbraw/zinc/47/12/77/276471277.db2.gz YDILGAURMRMEBH-DAXOMENPSA-N 0 3 274.364 2.403 20 30 CEEDHN CN1CCC(Nc2ccc(Cl)c(C#N)n2)CC1 ZINC000267185821 277031976 /nfs/dbraw/zinc/03/19/76/277031976.db2.gz GGOMQSQOQNHZKE-UHFFFAOYSA-N 0 3 250.733 2.113 20 30 CEEDHN C#CCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000264987639 277673898 /nfs/dbraw/zinc/67/38/98/277673898.db2.gz JYPQZPZMDATNBF-ZDUSSCGKSA-N 0 3 291.420 2.208 20 30 CEEDHN C[C@@H]1CCCC[C@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000355087406 277687857 /nfs/dbraw/zinc/68/78/57/277687857.db2.gz MIUROZTWJAICHM-KCPJHIHWSA-N 0 3 271.364 2.253 20 30 CEEDHN CC(C)(C)[C@@H](NCC(=O)NCC#N)c1ccccc1 ZINC000066495576 278492836 /nfs/dbraw/zinc/49/28/36/278492836.db2.gz ZCFOESYQXVNPPW-AWEZNQCLSA-N 0 3 259.353 2.003 20 30 CEEDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ncc(C#N)cc1F ZINC000413286430 279997571 /nfs/dbraw/zinc/99/75/71/279997571.db2.gz YXOUNEKRYOQVFN-AAEUAGOBSA-N 0 3 274.343 2.155 20 30 CEEDHN CN(CCOC[C@H]1CCCO1)Cc1cccc(C#N)c1 ZINC000152148936 289078703 /nfs/dbraw/zinc/07/87/03/289078703.db2.gz CFSXRFRVPRSYCF-MRXNPFEDSA-N 0 3 274.364 2.186 20 30 CEEDHN CC(C#N)C(=O)N1Cc2ccccc2N(C)C[C@@H]1C ZINC000336214558 289235456 /nfs/dbraw/zinc/23/54/56/289235456.db2.gz LBLZNGRQVWEVLE-NEPJUHHUSA-N 0 3 257.337 2.013 20 30 CEEDHN N#Cc1cncnc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000306746364 289275656 /nfs/dbraw/zinc/27/56/56/289275656.db2.gz IVTBQWABMYPUFA-OAHLLOKOSA-N 0 3 279.347 2.035 20 30 CEEDHN CN1CC[C@@H]2CCN(c3ccc(F)cc3C#N)[C@H]2C1 ZINC000272149765 290160217 /nfs/dbraw/zinc/16/02/17/290160217.db2.gz CZUZFCHOBBVPMT-ABAIWWIYSA-N 0 3 259.328 2.228 20 30 CEEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CC2(C1)CCCCC2 ZINC000329740829 295384158 /nfs/dbraw/zinc/38/41/58/295384158.db2.gz OGESIIWQMMMRSQ-GFCCVEGCSA-N 0 3 288.395 2.447 20 30 CEEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CC2(C1)CCCCC2 ZINC000329740829 295384160 /nfs/dbraw/zinc/38/41/60/295384160.db2.gz OGESIIWQMMMRSQ-GFCCVEGCSA-N 0 3 288.395 2.447 20 30 CEEDHN [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCC[C@H](C2CC2)C1 ZINC000329622699 295384172 /nfs/dbraw/zinc/38/41/72/295384172.db2.gz RXBFPKUDYDEHAG-QWHCGFSZSA-N 0 3 288.395 2.303 20 30 CEEDHN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC[C@H](C2CC2)C1 ZINC000329622699 295384173 /nfs/dbraw/zinc/38/41/73/295384173.db2.gz RXBFPKUDYDEHAG-QWHCGFSZSA-N 0 3 288.395 2.303 20 30 CEEDHN Cn1ccnc1[C@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000536066614 298193145 /nfs/dbraw/zinc/19/31/45/298193145.db2.gz GKOXDEREDRVPGU-HNNXBMFYSA-N 0 3 296.374 2.160 20 30 CEEDHN C=C[C@H](C)N[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000358318098 328882003 /nfs/dbraw/zinc/88/20/03/328882003.db2.gz LUMVTCAQKXGWES-QWRGUYRKSA-N 0 3 283.393 2.324 20 30 CEEDHN CC[C@H](NCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000182334137 312815970 /nfs/dbraw/zinc/81/59/70/312815970.db2.gz OQJAJHGRTSOHEO-GJZGRUSLSA-N 0 3 287.363 2.044 20 30 CEEDHN CCC[C@H](C)N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000573207313 314145113 /nfs/dbraw/zinc/14/51/13/314145113.db2.gz JZNWQZAHKOQARL-NSHDSACASA-N 0 3 257.341 2.221 20 30 CEEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1cccc(C#N)n1 ZINC000576277691 314259197 /nfs/dbraw/zinc/25/91/97/314259197.db2.gz NENZIKNCZVDNAB-JSGCOSHPSA-N 0 3 299.378 2.044 20 30 CEEDHN N#Cc1ccc(N2CC[C@@H](NC3(C4CC4)CC3)C2=O)cc1 ZINC000577201184 314352290 /nfs/dbraw/zinc/35/22/90/314352290.db2.gz NREFNBRFVNRIPJ-OAHLLOKOSA-N 0 3 281.359 2.196 20 30 CEEDHN C=CC1CCN(C(=O)NC2CCN(CC)CC2)CC1 ZINC000111801647 327941209 /nfs/dbraw/zinc/94/12/09/327941209.db2.gz VAHWSYROJOPTLM-UHFFFAOYSA-N 0 3 265.401 2.078 20 30 CEEDHN C=CCNC(=O)CN1CCCC[C@H]1Cc1ccccc1 ZINC000339732200 328018963 /nfs/dbraw/zinc/01/89/63/328018963.db2.gz UYDWYZZIVAGHDY-INIZCTEOSA-N 0 3 272.392 2.386 20 30 CEEDHN N#CC1(C(=O)NC[C@@H]2NCCc3ccccc32)CCCC1 ZINC000563337853 328054819 /nfs/dbraw/zinc/05/48/19/328054819.db2.gz FVERVLOCSDQUSM-HNNXBMFYSA-N 0 3 283.375 2.074 20 30 CEEDHN C=CCn1c(CC)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000563548901 328073046 /nfs/dbraw/zinc/07/30/46/328073046.db2.gz CDKNHXSTWKSXIS-CQSZACIVSA-N 0 3 289.427 2.091 20 30 CEEDHN C[C@@H]1OCC[C@@H]1N(CCO)CCC1(C#N)CCCCC1 ZINC000411664258 328098044 /nfs/dbraw/zinc/09/80/44/328098044.db2.gz QPVXKLNTSHCDOP-GJZGRUSLSA-N 0 3 280.412 2.322 20 30 CEEDHN C[C@@H](C(=O)N(CCC#N)CC1CC1)N1[C@H](C)CC[C@@H]1C ZINC000412186556 328105493 /nfs/dbraw/zinc/10/54/93/328105493.db2.gz ZXQBGQCQPIJPMP-MJBXVCDLSA-N 0 3 277.412 2.400 20 30 CEEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)CS(C)(=O)=O ZINC000414306155 328154128 /nfs/dbraw/zinc/15/41/28/328154128.db2.gz QSKGJIYFKGPEMR-ZFWWWQNUSA-N 0 3 281.421 2.197 20 30 CEEDHN N#CCOc1ccc(CN2CCN3CCCC[C@H]3C2)cc1 ZINC000267399443 328178172 /nfs/dbraw/zinc/17/81/72/328178172.db2.gz ZCVVAAIYAGEVIY-INIZCTEOSA-N 0 3 285.391 2.259 20 30 CEEDHN N#C[C@H]1CCC[C@H](NCc2cccc(-n3cncn3)c2)C1 ZINC000274240753 328210140 /nfs/dbraw/zinc/21/01/40/328210140.db2.gz VWXJOMMXAPVPMZ-ZFWWWQNUSA-N 0 3 281.363 2.439 20 30 CEEDHN C=C(C)CN(C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000180328476 329219697 /nfs/dbraw/zinc/21/96/97/329219697.db2.gz IFDIQNDFUWMOKY-UHFFFAOYSA-N 0 3 267.417 2.468 20 30 CEEDHN N#CC[C@@H]1CC[C@H](NCc2cnnn2Cc2ccccc2)C1 ZINC000295064355 328284884 /nfs/dbraw/zinc/28/48/84/328284884.db2.gz ORHDXNDWWXIKAQ-HOCLYGCPSA-N 0 3 295.390 2.498 20 30 CEEDHN CN(C)[C@@H]1CCOc2c(Nc3cc(C#N)ncn3)cccc21 ZINC000579909023 321900179 /nfs/dbraw/zinc/90/01/79/321900179.db2.gz GERSBOFWYPQREY-CQSZACIVSA-N 0 3 295.346 2.477 20 30 CEEDHN C=CCc1cc(CNC2(COC)CC2)cc(OC)c1O ZINC000531956980 328338593 /nfs/dbraw/zinc/33/85/93/328338593.db2.gz ILKFCCQJVISVSQ-UHFFFAOYSA-N 0 3 277.364 2.398 20 30 CEEDHN CC1CCC(N2CCN(Cc3ncc(C#N)cn3)CC2)CC1 ZINC000580413591 322315802 /nfs/dbraw/zinc/31/58/02/322315802.db2.gz DTFZPLFXGWPXHV-UHFFFAOYSA-N 0 3 299.422 2.045 20 30 CEEDHN CC1CC(C#N)(C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000532010826 328388651 /nfs/dbraw/zinc/38/86/51/328388651.db2.gz QIADYCWVGKXYKO-MFOWVQHXSA-N 0 3 275.396 2.059 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)NCC1=CCOCC1 ZINC000563681705 328394056 /nfs/dbraw/zinc/39/40/56/328394056.db2.gz YDECINGYMUCFMU-MRXNPFEDSA-N 0 3 284.359 2.222 20 30 CEEDHN CC(C)(CC#N)CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415889057 328431344 /nfs/dbraw/zinc/43/13/44/328431344.db2.gz AXWPIYQFEZZVOT-UHFFFAOYSA-N 0 3 286.379 2.394 20 30 CEEDHN CCN(CC1CC1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000343693419 327034432 /nfs/dbraw/zinc/03/44/32/327034432.db2.gz VMFHDTLSBHEDTO-IUODEOHRSA-N 0 3 265.401 2.161 20 30 CEEDHN Cn1ncc2ccc(CN[C@H]3CC[C@H](C#N)C3)cc21 ZINC000565864669 327037710 /nfs/dbraw/zinc/03/77/10/327037710.db2.gz TUOXLUVDZODOAQ-FZMZJTMJSA-N 0 3 254.337 2.355 20 30 CEEDHN N#C[C@H]1CC[C@@H](NCc2ccnc(N3CCCC3)c2)C1 ZINC000558426435 327093786 /nfs/dbraw/zinc/09/37/86/327093786.db2.gz JVMNUURZNGEKLR-DZGCQCFKSA-N 0 3 270.380 2.464 20 30 CEEDHN CCCN1CCC[C@@H]1C(=O)N1CCC(CCC#N)CC1 ZINC000573611914 327209396 /nfs/dbraw/zinc/20/93/96/327209396.db2.gz VDRNOFUQCFVEMA-OAHLLOKOSA-N 0 3 277.412 2.403 20 30 CEEDHN CN(C)C[C@@H](Cc1ccccc1)NC[C@H](C#N)CCC#N ZINC000559603244 327255070 /nfs/dbraw/zinc/25/50/70/327255070.db2.gz HHWAIZZKXHAVOT-DLBZAZTESA-N 0 3 284.407 2.192 20 30 CEEDHN C[C@]1(NCC(=O)NC2(C#N)CCC2)CCCc2ccccc21 ZINC000527377019 328687733 /nfs/dbraw/zinc/68/77/33/328687733.db2.gz MXWAOVIGGAGADC-KRWDZBQOSA-N 0 3 297.402 2.390 20 30 CEEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000377511052 329017253 /nfs/dbraw/zinc/01/72/53/329017253.db2.gz IIDHWOXNZFPMNN-KGLIPLIRSA-N 0 3 278.396 2.484 20 30 CEEDHN C#Cc1ccc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1 ZINC000377693705 329025185 /nfs/dbraw/zinc/02/51/85/329025185.db2.gz HNAQAVFUZNFPSO-QGZVFWFLSA-N 0 3 295.386 2.337 20 30 CEEDHN C=CCC[C@@H](CO)NCc1cnc(N(CC)CC)s1 ZINC000321011025 329200446 /nfs/dbraw/zinc/20/04/46/329200446.db2.gz MMBCLNYUOUPTBD-LBPRGKRZSA-N 0 3 283.441 2.406 20 30 CEEDHN CC[C@@H](C(=O)NCc1ccc(CC#N)cc1)N(CC)CC ZINC000582787183 329201382 /nfs/dbraw/zinc/20/13/82/329201382.db2.gz AFXCPSLGKNIJCW-INIZCTEOSA-N 0 3 287.407 2.489 20 30 CEEDHN CC(C)N(CC(=O)N[C@](C)(C#N)C(C)C)C(C)C ZINC000180447577 329217188 /nfs/dbraw/zinc/21/71/88/329217188.db2.gz RIILEMLITLXYAJ-CQSZACIVSA-N 0 3 253.390 2.160 20 30 CEEDHN C=C(C)CN(C)C[C@@H](O)COCc1ccc(OC)cc1 ZINC000181314156 329231059 /nfs/dbraw/zinc/23/10/59/329231059.db2.gz KSAACCARVITFJS-OAHLLOKOSA-N 0 3 279.380 2.081 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000183677857 329249533 /nfs/dbraw/zinc/24/95/33/329249533.db2.gz NGXORCAVMDYCJU-ZBFHGGJFSA-N 0 3 294.439 2.348 20 30 CEEDHN CC#CCCCC(=O)NCCN1CCC[C@@H](C)C1 ZINC000185128312 329268548 /nfs/dbraw/zinc/26/85/48/329268548.db2.gz MGPHNBSCHQBKCK-CQSZACIVSA-N 0 3 250.386 2.028 20 30 CEEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@H](C)C1 ZINC000187990012 329364692 /nfs/dbraw/zinc/36/46/92/329364692.db2.gz ZTWFHFMOUPGOEC-UONOGXRCSA-N 0 3 265.401 2.117 20 30 CEEDHN C#CCCCC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000192175584 329430213 /nfs/dbraw/zinc/43/02/13/329430213.db2.gz JARZCDDULPBPBG-UHFFFAOYSA-N 0 3 294.464 2.268 20 30 CEEDHN CCc1cccc(OC[C@@H](O)CNCC2(CC#N)CC2)c1 ZINC000571791329 329921219 /nfs/dbraw/zinc/92/12/19/329921219.db2.gz YKYGRRMMOLPTNF-HNNXBMFYSA-N 0 3 288.391 2.272 20 30 CEEDHN C=CCC(CC=C)C(=O)N(C)C[C@H]1CCCN1C ZINC000421710149 330069411 /nfs/dbraw/zinc/06/94/11/330069411.db2.gz JCCVKCJURJQOBW-CQSZACIVSA-N 0 3 250.386 2.307 20 30 CEEDHN C=CCOc1cccc(CN2CCC(O)(COC)CC2)c1 ZINC000271179970 330078005 /nfs/dbraw/zinc/07/80/05/330078005.db2.gz KWEPYRWQQGAJEW-UHFFFAOYSA-N 0 3 291.391 2.225 20 30 CEEDHN C#CCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000274083938 330103209 /nfs/dbraw/zinc/10/32/09/330103209.db2.gz HKIOIPPIVHGOHF-INIZCTEOSA-N 0 3 285.391 2.097 20 30 CEEDHN CCN(CCOc1ccccc1C)C(=O)C(C)C#N ZINC000421970494 330111197 /nfs/dbraw/zinc/11/11/97/330111197.db2.gz QJRXZVMACSYVOJ-CYBMUJFWSA-N 0 3 260.337 2.382 20 30 CEEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@]12CCOC2 ZINC000422080549 330120203 /nfs/dbraw/zinc/12/02/03/330120203.db2.gz ZQIHHIAWEPOPRU-NVXWUHKLSA-N 0 3 284.359 2.150 20 30 CEEDHN C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424066467 330219314 /nfs/dbraw/zinc/21/93/14/330219314.db2.gz SXRBSLJHFXCTBK-RISCZKNCSA-N 0 3 277.343 2.366 20 30 CEEDHN CC(C)c1csc(NC(=O)[C@@H](N)CCCC#N)n1 ZINC000424067398 330219491 /nfs/dbraw/zinc/21/94/91/330219491.db2.gz VUZBSGWSHZEJHV-VIFPVBQESA-N 0 3 266.370 2.226 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)CCC2 ZINC000424071736 330220328 /nfs/dbraw/zinc/22/03/28/330220328.db2.gz BZVCYOZXIJVLII-CQSZACIVSA-N 0 3 257.337 2.135 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(Br)c1 ZINC000424074564 330220414 /nfs/dbraw/zinc/22/04/14/330220414.db2.gz HNWJPCLVSYXHLR-LLVKDONJSA-N 0 3 296.168 2.409 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCCCSc1ccccc1 ZINC000424074811 330220472 /nfs/dbraw/zinc/22/04/72/330220472.db2.gz IHBNVRVWHGZTAA-CQSZACIVSA-N 0 3 291.420 2.306 20 30 CEEDHN CN(Cc1ccc(Cl)cc1)C(=O)[C@H](N)CCCC#N ZINC000424076168 330220741 /nfs/dbraw/zinc/22/07/41/330220741.db2.gz LJXMIRJSWILIIJ-CYBMUJFWSA-N 0 3 279.771 2.320 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2ncsc2c1 ZINC000424090201 330224751 /nfs/dbraw/zinc/22/47/51/330224751.db2.gz BJDURFDWTACRLY-SNVBAGLBSA-N 0 3 274.349 2.256 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000424098872 330230434 /nfs/dbraw/zinc/23/04/34/330230434.db2.gz HUVRUOUYUNJJMB-ZIAGYGMSSA-N 0 3 291.782 2.465 20 30 CEEDHN CCCC1CCC(NC(=O)[C@H](N)CCCC#N)CC1 ZINC000424101435 330233337 /nfs/dbraw/zinc/23/33/37/330233337.db2.gz JTMKKPKWLPPPIN-JXQTWKCFSA-N 0 3 265.401 2.483 20 30 CEEDHN C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@H](N)CCCC#N)C1 ZINC000424102487 330233743 /nfs/dbraw/zinc/23/37/43/330233743.db2.gz QTFPPSNZCKYJAP-UPJWGTAASA-N 0 3 251.374 2.045 20 30 CEEDHN CC(C)(C)C[C@@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424110553 330237419 /nfs/dbraw/zinc/23/74/19/330237419.db2.gz DHKJDUOCBMPFBM-STQMWFEESA-N 0 3 265.401 2.435 20 30 CEEDHN CCN(Cc1c(F)cccc1F)C(=O)[C@H](N)CCCC#N ZINC000424113261 330241868 /nfs/dbraw/zinc/24/18/68/330241868.db2.gz MTVYMAPOFFLWQN-CQSZACIVSA-N 0 3 295.333 2.334 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N(CC1CC1)c1ccccc1 ZINC000424118232 330243999 /nfs/dbraw/zinc/24/39/99/330243999.db2.gz CCWLVQIASIELIC-HNNXBMFYSA-N 0 3 271.364 2.451 20 30 CEEDHN CC(C)(C)CCCCNC(=O)[C@@H](N)CCCC#N ZINC000424120411 330248570 /nfs/dbraw/zinc/24/85/70/330248570.db2.gz DUZNPXSOMKQHMV-LBPRGKRZSA-N 0 3 253.390 2.340 20 30 CEEDHN CC(C)[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000424120395 330248951 /nfs/dbraw/zinc/24/89/51/330248951.db2.gz DTNQTMFFLKYPBT-BFHYXJOUSA-N 0 3 265.401 2.339 20 30 CEEDHN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@H](N)CCCC#N ZINC000424121018 330250974 /nfs/dbraw/zinc/25/09/74/330250974.db2.gz HTJWHAPYYCFQLN-VNQPRFMTSA-N 0 3 285.391 2.412 20 30 CEEDHN C=CCCCCCN(C)C(=O)[C@@H](N)CCCC#N ZINC000424123800 330256396 /nfs/dbraw/zinc/25/63/96/330256396.db2.gz LKCHTALIOUDEJU-ZDUSSCGKSA-N 0 3 251.374 2.212 20 30 CEEDHN C[C@@H](CNC(=O)[C@@H](N)CCCC#N)Sc1ccccc1 ZINC000424124205 330256805 /nfs/dbraw/zinc/25/68/05/330256805.db2.gz MBJFAYWVDVSQRE-JSGCOSHPSA-N 0 3 291.420 2.305 20 30 CEEDHN C[C@H](CNC(=O)[C@H](N)CCCC#N)Sc1ccccc1 ZINC000424124362 330256873 /nfs/dbraw/zinc/25/68/73/330256873.db2.gz MBJFAYWVDVSQRE-TZMCWYRMSA-N 0 3 291.420 2.305 20 30 CEEDHN Cn1ccnc1-c1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424125885 330259030 /nfs/dbraw/zinc/25/90/30/330259030.db2.gz AUEGGNQLHPVTMO-CQSZACIVSA-N 0 3 297.362 2.047 20 30 CEEDHN CC(C)[C@@H]1CCCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424127027 330259248 /nfs/dbraw/zinc/25/92/48/330259248.db2.gz POPSTLORDHPEAP-KGLIPLIRSA-N 0 3 265.401 2.292 20 30 CEEDHN C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424134248 330266720 /nfs/dbraw/zinc/26/67/20/330266720.db2.gz YDWVCHGYEBAOAF-YDHLFZDLSA-N 0 3 273.380 2.316 20 30 CEEDHN C[C@@H](CNC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1F ZINC000424142576 330285017 /nfs/dbraw/zinc/28/50/17/330285017.db2.gz PWLMYLLAEIOLFB-HZMBPMFUSA-N 0 3 295.333 2.206 20 30 CEEDHN Cc1nc(C)c([C@@H](C)N(C)C(=O)[C@@H](N)CCCC#N)s1 ZINC000424143979 330288026 /nfs/dbraw/zinc/28/80/26/330288026.db2.gz KLZDOHUEIJHPJE-PWSUYJOCSA-N 0 3 294.424 2.301 20 30 CEEDHN CC[C@H](NC(=O)[C@H](N)CCCC#N)c1nc(C)cs1 ZINC000424157065 330304596 /nfs/dbraw/zinc/30/45/96/330304596.db2.gz PAWLMGIHGMDXLB-MNOVXSKESA-N 0 3 280.397 2.040 20 30 CEEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(C2CC2)cc1 ZINC000424170986 330311092 /nfs/dbraw/zinc/31/10/92/330311092.db2.gz LTYSYVQYJDWOAF-OAHLLOKOSA-N 0 3 271.364 2.201 20 30 CEEDHN C[C@H](CC1CCCCC1)NC(=O)[C@H](N)CCCC#N ZINC000424172779 330312811 /nfs/dbraw/zinc/31/28/11/330312811.db2.gz KRKLCSNELRZCQL-TZMCWYRMSA-N 0 3 265.401 2.483 20 30 CEEDHN C[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424180872 330319061 /nfs/dbraw/zinc/31/90/61/330319061.db2.gz PTBUANLRLJNBEO-UPJWGTAASA-N 0 3 251.374 2.093 20 30 CEEDHN N#CCCC[C@H](N)C(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000424181031 330319229 /nfs/dbraw/zinc/31/92/29/330319229.db2.gz QMUHOABWFRVWHT-HNNXBMFYSA-N 0 3 283.375 2.082 20 30 CEEDHN Cc1c[nH]c(-c2ccccc2NC(=O)[C@H](N)CCCC#N)n1 ZINC000424182623 330319912 /nfs/dbraw/zinc/31/99/12/330319912.db2.gz UKLCFUAQLMAWDY-CYBMUJFWSA-N 0 3 297.362 2.345 20 30 CEEDHN COc1cc(CN[C@@H]2CC[C@H](C#N)C2)cc2c1OCO2 ZINC000424189022 330322049 /nfs/dbraw/zinc/32/20/49/330322049.db2.gz CXFXFHAVINXDIP-CMPLNLGQSA-N 0 3 274.320 2.206 20 30 CEEDHN C[S@@](=O)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424197309 330325743 /nfs/dbraw/zinc/32/57/43/330325743.db2.gz OAZJKZWYKAAONX-VEVIJQCQSA-N 0 3 262.378 2.206 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc2n(n1)CCC2 ZINC000424293308 330335294 /nfs/dbraw/zinc/33/52/94/330335294.db2.gz IHNSOLXNBWCNAY-HUBLWGQQSA-N 0 3 261.369 2.071 20 30 CEEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000424326898 330341519 /nfs/dbraw/zinc/34/15/19/330341519.db2.gz MEYSDSXGLDHCKX-NTZNESFSSA-N 0 3 285.347 2.360 20 30 CEEDHN Cc1cc(CN)cc(NC(=O)N(C)C[C@H](C)C#N)c1 ZINC000424436351 330351926 /nfs/dbraw/zinc/35/19/26/330351926.db2.gz MJRHWKVBDMWWOP-LLVKDONJSA-N 0 3 260.341 2.077 20 30 CEEDHN C=CCC1(C(=O)NC2CCN(C3CC3)CC2)CCOCC1 ZINC000424576115 330386400 /nfs/dbraw/zinc/38/64/00/330386400.db2.gz XTUZHBLZBYEAOT-UHFFFAOYSA-N 0 3 292.423 2.102 20 30 CEEDHN C=C(C)C(C)(C)C(=O)NCCN1CCC(C)CC1 ZINC000424583779 330388802 /nfs/dbraw/zinc/38/88/02/330388802.db2.gz MLKPUJLOZLWDNZ-UHFFFAOYSA-N 0 3 252.402 2.437 20 30 CEEDHN CS(=O)(=O)Cc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442781686 330782725 /nfs/dbraw/zinc/78/27/25/330782725.db2.gz NFMAXPAEDGRZPB-IUODEOHRSA-N 0 3 292.404 2.013 20 30 CEEDHN COc1cc(OC)cc(OCCN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442853056 330787166 /nfs/dbraw/zinc/78/71/66/330787166.db2.gz TVSZCABWUCZOBW-STQMWFEESA-N 0 3 290.363 2.364 20 30 CEEDHN C=CCNC(=O)CN[C@@H](COCc1ccccc1)C(C)C ZINC000446890198 330857233 /nfs/dbraw/zinc/85/72/33/330857233.db2.gz HRPKFUSICJCSPZ-INIZCTEOSA-N 0 3 290.407 2.120 20 30 CEEDHN C=CCSCCNCc1cccc(S(C)(=O)=O)c1 ZINC000449128757 330900757 /nfs/dbraw/zinc/90/07/57/330900757.db2.gz ALSMAUKCHHSQRG-UHFFFAOYSA-N 0 3 285.434 2.099 20 30 CEEDHN CS[C@H]1CN(CC2(C#N)CCC2)C[C@@H]1N1CCCC1 ZINC000450737291 330997046 /nfs/dbraw/zinc/99/70/46/330997046.db2.gz KXOHTTPSBVTOII-KBPBESRZSA-N 0 3 279.453 2.192 20 30 CEEDHN C[C@@H]1C[C@@]1(C#N)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000450894112 331005396 /nfs/dbraw/zinc/00/53/96/331005396.db2.gz DYSAZEYTOUKUIP-DEICHXMPSA-N 0 3 297.402 2.173 20 30 CEEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000451202720 331020529 /nfs/dbraw/zinc/02/05/29/331020529.db2.gz NWUDNJWRVNPTAB-CYBMUJFWSA-N 0 3 250.386 2.332 20 30 CEEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](OCC)[C@@H](C)C1 ZINC000451521197 331032252 /nfs/dbraw/zinc/03/22/52/331032252.db2.gz DBYLFQNDWRRPIH-HRCADAONSA-N 0 3 294.439 2.322 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1C ZINC000451597174 331035519 /nfs/dbraw/zinc/03/55/19/331035519.db2.gz HQEIEWYIZDJWQO-CFVMTHIKSA-N 0 3 274.364 2.255 20 30 CEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000451601222 331035814 /nfs/dbraw/zinc/03/58/14/331035814.db2.gz USTFWCLZPKJHSN-XNISGKROSA-N 0 3 288.391 2.185 20 30 CEEDHN C=CCC[C@H](O)CN1CCOCC12CCCCC2 ZINC000451818807 331043742 /nfs/dbraw/zinc/04/37/42/331043742.db2.gz ZRKHHLQBPQVIHU-AWEZNQCLSA-N 0 3 253.386 2.349 20 30 CEEDHN C=C(C)CCN1CCN(c2ccc(OC)cn2)CC1 ZINC000452060772 331052440 /nfs/dbraw/zinc/05/24/40/331052440.db2.gz SGUHCUYUUWMOHR-UHFFFAOYSA-N 0 3 261.369 2.178 20 30 CEEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc(C)c1 ZINC000452097594 331054129 /nfs/dbraw/zinc/05/41/29/331054129.db2.gz YOKFHWBXAHXKSQ-STQMWFEESA-N 0 3 289.379 2.046 20 30 CEEDHN C[C@H](CCCO)CNC(=O)C(C#N)CCc1ccccc1 ZINC000452860164 331079586 /nfs/dbraw/zinc/07/95/86/331079586.db2.gz LELWOOXLRHGAFX-GDBMZVCRSA-N 0 3 288.391 2.284 20 30 CEEDHN CC(C#N)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452864451 331079689 /nfs/dbraw/zinc/07/96/89/331079689.db2.gz WKCFCVQUJNXGPU-AAEUAGOBSA-N 0 3 287.319 2.460 20 30 CEEDHN C[C@@H]1CCCCN1CCNC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000454283909 331143476 /nfs/dbraw/zinc/14/34/76/331143476.db2.gz CAACCWXDSWMNTR-ILXRZTDVSA-N 0 3 292.427 2.242 20 30 CEEDHN C=C(CC)CNC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000454641565 331150372 /nfs/dbraw/zinc/15/03/72/331150372.db2.gz LKMNCVKNQVZNPY-UONOGXRCSA-N 0 3 267.417 2.372 20 30 CEEDHN CC#CCNC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000454743470 331152789 /nfs/dbraw/zinc/15/27/89/331152789.db2.gz UYHYSNXZZWXWER-UHFFFAOYSA-N 0 3 299.418 2.364 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)COCC2CCCC2)CC1 ZINC000455492070 331170938 /nfs/dbraw/zinc/17/09/38/331170938.db2.gz VQJYLRZYCUAUOS-UHFFFAOYSA-N 0 3 294.439 2.350 20 30 CEEDHN C=C(CC)CNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000457478065 331224285 /nfs/dbraw/zinc/22/42/85/331224285.db2.gz JBTNBHGWUPTCCQ-INIZCTEOSA-N 0 3 289.423 2.425 20 30 CEEDHN C=C(CC)CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000457896864 331237169 /nfs/dbraw/zinc/23/71/69/331237169.db2.gz DHJRLDQSOVUTAY-INIZCTEOSA-N 0 3 289.423 2.425 20 30 CEEDHN C=CCN1CCC(NC(=O)NC2(C3(C)CC3)CC2)CC1 ZINC000458346839 331249680 /nfs/dbraw/zinc/24/96/80/331249680.db2.gz WWOSGCDGOQXEKR-UHFFFAOYSA-N 0 3 277.412 2.269 20 30 CEEDHN C=CCC(C)(C)CNC(=O)NC[C@H]1CCCN1CC ZINC000458447948 331251475 /nfs/dbraw/zinc/25/14/75/331251475.db2.gz RYGKZGNYDPEUGC-CYBMUJFWSA-N 0 3 267.417 2.372 20 30 CEEDHN CN(CC(C)(C)C#N)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000458726651 331257973 /nfs/dbraw/zinc/25/79/73/331257973.db2.gz CPFZPXYWGQQRNU-ZDUSSCGKSA-N 0 3 294.443 2.298 20 30 CEEDHN C=CC[C@H](CC)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458744760 331258829 /nfs/dbraw/zinc/25/88/29/331258829.db2.gz WREZVABZLUCSBW-KBPBESRZSA-N 0 3 279.428 2.467 20 30 CEEDHN COC(=O)CC1(NCc2ccc(CC#N)cc2)CCC1 ZINC000459383326 331279510 /nfs/dbraw/zinc/27/95/10/331279510.db2.gz BBQSIGOATYEGAC-UHFFFAOYSA-N 0 3 272.348 2.328 20 30 CEEDHN CC(C)(CC#N)CNCc1ccc2c(c1)NC(=O)CO2 ZINC000459659974 331292726 /nfs/dbraw/zinc/29/27/26/331292726.db2.gz ALEQXMQCMNKJDN-UHFFFAOYSA-N 0 3 273.336 2.047 20 30 CEEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000468769494 331439562 /nfs/dbraw/zinc/43/95/62/331439562.db2.gz AYAXOJYXEBKLIA-ARFHVFGLSA-N 0 3 294.439 2.204 20 30 CEEDHN CC#CCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000483427625 331874477 /nfs/dbraw/zinc/87/44/77/331874477.db2.gz SKXMDDQDAVLOSO-UHFFFAOYSA-N 0 3 291.439 2.307 20 30 CEEDHN C=CCn1cccc1C(=O)NC[C@@H]1CCCCN1CC ZINC000488968614 332035837 /nfs/dbraw/zinc/03/58/37/332035837.db2.gz ILGFBZMZQWKFCI-AWEZNQCLSA-N 0 3 275.396 2.278 20 30 CEEDHN C=CCn1cccc1C(=O)NC[C@H]1CCCCN1CC ZINC000488968615 332035955 /nfs/dbraw/zinc/03/59/55/332035955.db2.gz ILGFBZMZQWKFCI-CQSZACIVSA-N 0 3 275.396 2.278 20 30 CEEDHN C#CCN1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000490574102 332092279 /nfs/dbraw/zinc/09/22/79/332092279.db2.gz CWXIIVNSPPKIAI-UHFFFAOYSA-N 0 3 262.397 2.171 20 30 CEEDHN C#CCN1CCC(C(=O)NC2[C@H](C)CCC[C@H]2C)CC1 ZINC000490594873 332094357 /nfs/dbraw/zinc/09/43/57/332094357.db2.gz WIPKIQPKQRYKKU-ZIAGYGMSSA-N 0 3 276.424 2.273 20 30 CEEDHN C#CCNC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000490603790 332094506 /nfs/dbraw/zinc/09/45/06/332094506.db2.gz GHXPRRWTCYSXDA-UHFFFAOYSA-N 0 3 256.349 2.034 20 30 CEEDHN C#CCN1CCC(C(=O)N[C@@H]2CCc3c2cccc3C)CC1 ZINC000490614541 332095317 /nfs/dbraw/zinc/09/53/17/332095317.db2.gz AGQCRNBHLYMVAS-GOSISDBHSA-N 0 3 296.414 2.444 20 30 CEEDHN C#CCN1CCC(C(=O)NC2(C(F)F)CCCCC2)CC1 ZINC000491179949 332161280 /nfs/dbraw/zinc/16/12/80/332161280.db2.gz IMORFYPKTRWRFA-UHFFFAOYSA-N 0 3 298.377 2.416 20 30 CEEDHN C#C[C@@H](NC(=O)[C@H](CC)N(CC)CC)C(C)(C)C ZINC000491241728 332172749 /nfs/dbraw/zinc/17/27/49/332172749.db2.gz LJFQZNRPNJATKT-QWHCGFSZSA-N 0 3 252.402 2.271 20 30 CEEDHN C#C[C@H](NC(=O)[C@H](CC)N(C)C)c1ccc(Cl)cc1 ZINC000491275001 332178703 /nfs/dbraw/zinc/17/87/03/332178703.db2.gz BWQPWKWTBPPRPW-KBPBESRZSA-N 0 3 278.783 2.471 20 30 CEEDHN C#CCN1CCC(C(=O)NC[C@H]2CCC[C@H]2CC)CC1 ZINC000491296924 332184185 /nfs/dbraw/zinc/18/41/85/332184185.db2.gz NZYXSVPIXJCPPL-GDBMZVCRSA-N 0 3 276.424 2.274 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000491326325 332190277 /nfs/dbraw/zinc/19/02/77/332190277.db2.gz MBXKENFTALSLSE-GJZGRUSLSA-N 0 3 291.439 2.162 20 30 CEEDHN C#C[C@@H](NCc1ccc(OCCOC)c(OC)c1)C(C)C ZINC000491348539 332194343 /nfs/dbraw/zinc/19/43/43/332194343.db2.gz DAFGEGJMAVGLGS-OAHLLOKOSA-N 0 3 291.391 2.468 20 30 CEEDHN CC(C#N)C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000491464418 332216697 /nfs/dbraw/zinc/21/66/97/332216697.db2.gz OKRRCNBDTNLEPR-IJLUTSLNSA-N 0 3 295.383 2.002 20 30 CEEDHN CC(C)N(CCCNC(=O)C(C)C#N)C(=O)OC(C)(C)C ZINC000491466030 332217287 /nfs/dbraw/zinc/21/72/87/332217287.db2.gz TXBPRJLVLIFKGK-LBPRGKRZSA-N 0 3 297.399 2.298 20 30 CEEDHN C#CCN(C(=O)NC[C@H](N)c1ccccc1CC)C1CC1 ZINC000491565827 332238709 /nfs/dbraw/zinc/23/87/09/332238709.db2.gz COKVLQOIWLOOOL-INIZCTEOSA-N 0 3 285.391 2.056 20 30 CEEDHN C#C[C@H](CCC)NC(=O)NC[C@H](N)c1ccccc1CC ZINC000491637298 332257959 /nfs/dbraw/zinc/25/79/59/332257959.db2.gz YKIFKVFHRQYRCD-ZBFHGGJFSA-N 0 3 287.407 2.350 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000491637425 332258117 /nfs/dbraw/zinc/25/81/17/332258117.db2.gz WDUDKOAVZSIMHC-HNNXBMFYSA-N 0 3 299.418 2.314 20 30 CEEDHN C#CCN(C)CCCC(=O)Nc1ccccc1C(C)=O ZINC000491670565 332277760 /nfs/dbraw/zinc/27/77/60/332277760.db2.gz VTXMGKBNPBZHNO-UHFFFAOYSA-N 0 3 272.348 2.173 20 30 CEEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@@H](c2ccccc2)C1 ZINC000491677620 332282564 /nfs/dbraw/zinc/28/25/64/332282564.db2.gz QYODIRWUCRXWKW-GDBMZVCRSA-N 0 3 270.376 2.004 20 30 CEEDHN C#C[C@H](CC)NC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000491698157 332293070 /nfs/dbraw/zinc/29/30/70/332293070.db2.gz AWHQJBUSONMGTO-BFHYXJOUSA-N 0 3 291.395 2.420 20 30 CEEDHN C#CCN(C)CCCNC(=S)Nc1cccc(C)c1 ZINC000491703334 332297309 /nfs/dbraw/zinc/29/73/09/332297309.db2.gz JIKWFOPUKRVGAN-UHFFFAOYSA-N 0 3 275.421 2.237 20 30 CEEDHN C#C[C@@H](C)N(C)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000491709561 332301750 /nfs/dbraw/zinc/30/17/50/332301750.db2.gz RQHPQPXUBZNJJQ-GFCCVEGCSA-N 0 3 285.347 2.411 20 30 CEEDHN C#CCN(C)CCCNC(=S)N[C@H](C)c1ccccc1 ZINC000491709511 332301785 /nfs/dbraw/zinc/30/17/85/332301785.db2.gz PCJPFBKBXYUXHN-CQSZACIVSA-N 0 3 289.448 2.167 20 30 CEEDHN C#CCN(C)CCCNC(=O)c1cc(C(CC)CC)no1 ZINC000491723994 332308594 /nfs/dbraw/zinc/30/85/94/332308594.db2.gz ALWKDBBCMKHQFJ-UHFFFAOYSA-N 0 3 291.395 2.263 20 30 CEEDHN C#C[C@H](C)N(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000491743637 332321868 /nfs/dbraw/zinc/32/18/68/332321868.db2.gz MPLUTBXNXWNTTM-RDJZCZTQSA-N 0 3 299.418 2.487 20 30 CEEDHN C#CCN(C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000491744451 332322493 /nfs/dbraw/zinc/32/24/93/332322493.db2.gz ZIFDPXGQLDWAGI-GDBMZVCRSA-N 0 3 285.391 2.097 20 30 CEEDHN C#CCN(C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000491805643 332359172 /nfs/dbraw/zinc/35/91/72/332359172.db2.gz OYBBTCAIAWTPSY-GFCCVEGCSA-N 0 3 258.321 2.269 20 30 CEEDHN C=C(C)CN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494237289 332467980 /nfs/dbraw/zinc/46/79/80/332467980.db2.gz JZKNPAICGLBASZ-DZGCQCFKSA-N 0 3 280.318 2.402 20 30 CEEDHN C=CCC[C@@H](C)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000575802107 335116684 /nfs/dbraw/zinc/11/66/84/335116684.db2.gz DDPYZYQEEWRPFO-OLZOCXBDSA-N 0 3 295.404 2.166 20 30 CEEDHN C[C@@H](CCC#N)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000517153983 333093675 /nfs/dbraw/zinc/09/36/75/333093675.db2.gz LRYZIOLBXFKZJM-CMPLNLGQSA-N 0 3 260.341 2.429 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)NCCN1CCC[C@H](C)C1 ZINC000190571580 333208622 /nfs/dbraw/zinc/20/86/22/333208622.db2.gz SDZSFHBBIKLTMP-ZFWWWQNUSA-N 0 3 252.402 2.437 20 30 CEEDHN C#CCN[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000193195751 333245010 /nfs/dbraw/zinc/24/50/10/333245010.db2.gz NCOJSRAYRZXNNG-CYBMUJFWSA-N 0 3 266.385 2.293 20 30 CEEDHN C=CCSCCNC(=O)NCCN1CCCC[C@H]1C ZINC000194553237 333272657 /nfs/dbraw/zinc/27/26/57/333272657.db2.gz ZAQSVMMAWGWGFW-CYBMUJFWSA-N 0 3 285.457 2.079 20 30 CEEDHN CCCC(=O)Nc1cccc(CNC(=O)C(C)C#N)c1 ZINC000522848319 333296898 /nfs/dbraw/zinc/29/68/98/333296898.db2.gz CMZIRRBJTIISDB-LLVKDONJSA-N 0 3 273.336 2.201 20 30 CEEDHN C=CCCOCCCCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000538301143 333583723 /nfs/dbraw/zinc/58/37/23/333583723.db2.gz JKSHNYGAJRRZCR-MRXNPFEDSA-N 0 3 294.439 2.446 20 30 CEEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](CC(C)C)C1 ZINC000074994407 334022096 /nfs/dbraw/zinc/02/20/96/334022096.db2.gz XEUWLIQXZKOQGU-AWEZNQCLSA-N 0 3 265.401 2.117 20 30 CEEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000135010962 334112143 /nfs/dbraw/zinc/11/21/43/334112143.db2.gz GCAOLTOUMPPBCS-HIFRSBDPSA-N 0 3 250.386 2.285 20 30 CEEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CCC1CC1 ZINC000135249031 334121617 /nfs/dbraw/zinc/12/16/17/334121617.db2.gz RFUIBZFWOVXCPR-IUODEOHRSA-N 0 3 265.401 2.161 20 30 CEEDHN CC(C)C[C@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000080643517 334172776 /nfs/dbraw/zinc/17/27/76/334172776.db2.gz WQWRRAWSNMAFSF-CJNGLKHVSA-N 0 3 277.412 2.163 20 30 CEEDHN CC#CCN[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000156303169 334739258 /nfs/dbraw/zinc/73/92/58/334739258.db2.gz YQCLPKCEAXIQNV-OAHLLOKOSA-N 0 3 266.385 2.293 20 30 CEEDHN C=CCC[C@H](CO)N[C@H](C)c1cn2ccccc2n1 ZINC000578083271 335484022 /nfs/dbraw/zinc/48/40/22/335484022.db2.gz RZGOMKPUSLPHOX-CHWSQXEVSA-N 0 3 259.353 2.312 20 30 CEEDHN CN(C)Cc1ccc(C(=O)N2CCC(C#N)CC2)cc1 ZINC000194673451 336036776 /nfs/dbraw/zinc/03/67/76/336036776.db2.gz DWDHPXKEWZRFLG-UHFFFAOYSA-N 0 3 271.364 2.124 20 30 CEEDHN C[C@@H]1CCC[C@H](NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)C1 ZINC000330193405 533815246 /nfs/dbraw/zinc/81/52/46/533815246.db2.gz YNDSNSIUYWPHLU-FRRDWIJNSA-N 0 3 276.384 2.280 20 30 CEEDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(CC#N)cc1 ZINC000334957357 534249907 /nfs/dbraw/zinc/24/99/07/534249907.db2.gz UXNYWQBEURAOKL-UONOGXRCSA-N 0 3 257.381 2.277 20 30 CEEDHN C#CCOc1ccc([C@H](C)N[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000183577564 518329704 /nfs/dbraw/zinc/32/97/04/518329704.db2.gz IAASJAQKPGCVGV-OFQRWUPVSA-N 0 3 271.360 2.286 20 30 CEEDHN C=CCC[C@H](NCc1nnc2n1CCCC2)C1CC1 ZINC000183863333 518721910 /nfs/dbraw/zinc/72/19/10/518721910.db2.gz KPTLVHQPEUBFKV-ZDUSSCGKSA-N 0 3 260.385 2.449 20 30 CEEDHN C=CCc1cc(CNC[C@H](C)OC)cc(OC)c1O ZINC000191151469 534419375 /nfs/dbraw/zinc/41/93/75/534419375.db2.gz LFKBJKMSZWYHFS-NSHDSACASA-N 0 3 265.353 2.254 20 30 CEEDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(F)c(C#N)c1 ZINC000278737125 519775537 /nfs/dbraw/zinc/77/55/37/519775537.db2.gz DMJRCUMDZZCSQL-AWEZNQCLSA-N 0 3 291.370 2.403 20 30 CEEDHN CCCN1CCCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000363443803 519848885 /nfs/dbraw/zinc/84/88/85/519848885.db2.gz YYWIUZSXTGDMFO-UHFFFAOYSA-N 0 3 299.418 2.435 20 30 CEEDHN CC1=CCN(CCNCc2ccc(C#N)s2)CC1 ZINC000358143716 520873725 /nfs/dbraw/zinc/87/37/25/520873725.db2.gz TXXAHUGRSSFKQE-UHFFFAOYSA-N 0 3 261.394 2.361 20 30 CEEDHN CCN1CCC(N(C(=O)c2ccc(C#N)nc2)C2CC2)CC1 ZINC000364796228 521554254 /nfs/dbraw/zinc/55/42/54/521554254.db2.gz HPYPMUVNFBJBPC-UHFFFAOYSA-N 0 3 298.390 2.042 20 30 CEEDHN C[C@H](Cn1ccnc1)NCc1ccc(C#N)cc1F ZINC000049235582 524792871 /nfs/dbraw/zinc/79/28/71/524792871.db2.gz DIYFYBGKYKIDQZ-LLVKDONJSA-N 0 3 258.300 2.072 20 30 CEEDHN CC#CCCCC(=O)NCCN1CCCC(C)(C)C1 ZINC000347458478 526297885 /nfs/dbraw/zinc/29/78/85/526297885.db2.gz CWHIIFTXGQWPAU-UHFFFAOYSA-N 0 3 264.413 2.418 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)C[C@@H]2C)CC1 ZINC000336013504 526589114 /nfs/dbraw/zinc/58/91/14/526589114.db2.gz ITDZEEZIGIUQAJ-KGLIPLIRSA-N 0 3 279.428 2.467 20 30 CEEDHN C=C(C)COCCN[C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000353619849 526657313 /nfs/dbraw/zinc/65/73/13/526657313.db2.gz JEKDHSXZKZFIHV-GFCCVEGCSA-N 0 3 290.363 2.261 20 30 CEEDHN C=CCOCC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000344602018 526702510 /nfs/dbraw/zinc/70/25/10/526702510.db2.gz IYJNCBCFMDNIPX-CQSZACIVSA-N 0 3 290.407 2.435 20 30 CEEDHN N#Cc1cccc(NC(=O)C23CCCN2CCC3)c1 ZINC000278531027 526716608 /nfs/dbraw/zinc/71/66/08/526716608.db2.gz IJDGQQAWKMUZJX-UHFFFAOYSA-N 0 3 255.321 2.125 20 30 CEEDHN C=CCOCCCN(C)Cc1ccc2c(c1)OCO2 ZINC000347960252 526748467 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C#CCN[C@@H]1CCN(C(=O)c2c(Cl)cccc2Cl)C1 ZINC000970564268 612963977 /nfs/dbraw/zinc/96/39/77/612963977.db2.gz LHZXLDYZZWEGQK-SNVBAGLBSA-N 0 3 297.185 2.431 20 30 CEEDHN C#CCN[C@@H]1CCN(C(=O)c2cc(CCC)c(C)s2)C1 ZINC000970664262 612964653 /nfs/dbraw/zinc/96/46/53/612964653.db2.gz BSUGSVDECIAUPS-CQSZACIVSA-N 0 3 290.432 2.446 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)C2CCC(=C)CC2)C1 ZINC000970376360 612993858 /nfs/dbraw/zinc/99/38/58/612993858.db2.gz KIFVTMDULMJQEV-CQSZACIVSA-N 0 3 274.408 2.193 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000970501478 612995016 /nfs/dbraw/zinc/99/50/16/612995016.db2.gz SYFRCWZCPWGJGT-CYBMUJFWSA-N 0 3 295.386 2.241 20 30 CEEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccccc2CC)C1 ZINC000970346453 612995587 /nfs/dbraw/zinc/99/55/87/612995587.db2.gz PPQILGZOOWFNGQ-CQSZACIVSA-N 0 3 284.403 2.322 20 30 CEEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC000970214171 612996815 /nfs/dbraw/zinc/99/68/15/612996815.db2.gz QRFIEAIVHKXTFZ-GXTWGEPZSA-N 0 3 298.377 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C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)COc1ccc(C)cc1 ZINC000876610376 650357925 /nfs/dbraw/zinc/35/79/25/650357925.db2.gz BWLPVCGAUYZBNF-GXTWGEPZSA-N 0 3 296.798 2.348 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)COc1cccc(C)c1 ZINC000876611298 650359068 /nfs/dbraw/zinc/35/90/68/650359068.db2.gz WZPMVECYUCRJPZ-GXTWGEPZSA-N 0 3 296.798 2.348 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1cccc(C)c1 ZINC000876613857 650359922 /nfs/dbraw/zinc/35/99/22/650359922.db2.gz WNFUABJHUKMLQW-ZDUSSCGKSA-N 0 3 266.772 2.124 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1cc(F)cc(F)c1 ZINC000876629232 650367013 /nfs/dbraw/zinc/36/70/13/650367013.db2.gz FFCDPXFJRCBIEJ-GFCCVEGCSA-N 0 3 288.725 2.093 20 30 CEEDHN CCN1CCCN(C(=O)c2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000910270137 637965743 /nfs/dbraw/zinc/96/57/43/637965743.db2.gz KOUZHFKXHWFLOY-LBPRGKRZSA-N 0 3 289.354 2.254 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CSc2ccccc21 ZINC000876659250 650384279 /nfs/dbraw/zinc/38/42/79/650384279.db2.gz RRZJIHSLBDQUQX-WDEREUQCSA-N 0 3 282.796 2.420 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000876663552 650385746 /nfs/dbraw/zinc/38/57/46/650385746.db2.gz XYFVIQNDECCAGH-FSZOTQKASA-N 0 3 258.793 2.397 20 30 CEEDHN CCC[C@H](OC)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000835064353 638046646 /nfs/dbraw/zinc/04/66/46/638046646.db2.gz VTXLBPYAQOJIAE-KGLIPLIRSA-N 0 3 288.347 2.458 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(OC)cc1C ZINC000876666760 650388499 /nfs/dbraw/zinc/38/84/99/650388499.db2.gz WEOJAHOHWGDGGH-ZDUSSCGKSA-N 0 3 282.771 2.090 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C ZINC000876680499 650396372 /nfs/dbraw/zinc/39/63/72/650396372.db2.gz DSLJVIJEZVIICQ-RISCZKNCSA-N 0 3 278.783 2.430 20 30 CEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000876683896 650398251 /nfs/dbraw/zinc/39/82/51/650398251.db2.gz YRCUULUEFLVEFT-IHRRRGAJSA-N 0 3 278.783 2.204 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(CC(C)C)CC1 ZINC000876704485 650407265 /nfs/dbraw/zinc/40/72/65/650407265.db2.gz 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/nfs/dbraw/zinc/59/57/92/638595792.db2.gz YHNUBTBXFWUBGD-UONOGXRCSA-N 0 3 270.417 2.312 20 30 CEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000912196669 638603602 /nfs/dbraw/zinc/60/36/02/638603602.db2.gz XEIGTPQVMVHNSJ-AWEZNQCLSA-N 0 3 289.379 2.011 20 30 CEEDHN CN(CCCN(C)c1ccnc(C#N)c1)Cc1ccncc1 ZINC000912235612 638610530 /nfs/dbraw/zinc/61/05/30/638610530.db2.gz ZVQOIPRLTDWXSP-UHFFFAOYSA-N 0 3 295.390 2.307 20 30 CEEDHN C[Si](C)(C)C#CCCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000912328321 638639943 /nfs/dbraw/zinc/63/99/43/638639943.db2.gz FWSKRDMEFHNEJK-AWEZNQCLSA-N 0 3 278.472 2.000 20 30 CEEDHN C#CCN(C)CCCNC(=O)N1C[C@@H](C)CC(C)(C)C1 ZINC000836490254 638649150 /nfs/dbraw/zinc/64/91/50/638649150.db2.gz PSTRDSKSTUZAFD-AWEZNQCLSA-N 0 3 279.428 2.019 20 30 CEEDHN C#Cc1cccc(CNC(=O)[C@@H]2CCCCN2CC)c1 ZINC000837106689 639055307 /nfs/dbraw/zinc/05/53/07/639055307.db2.gz RWXFSANLLUXPAD-INIZCTEOSA-N 0 3 270.376 2.159 20 30 CEEDHN C=CCC(F)(F)C(=O)NC(C)(C)CN1CCCC1 ZINC000837177287 639095396 /nfs/dbraw/zinc/09/53/96/639095396.db2.gz KOMPFHITKCJKFU-UHFFFAOYSA-N 0 3 260.328 2.188 20 30 CEEDHN CC#CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC000913100268 639201034 /nfs/dbraw/zinc/20/10/34/639201034.db2.gz QJKFFTSDHREVRT-GOEBONIOSA-N 0 3 270.376 2.037 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)C#CC(C)(C)C)CC1 ZINC000837399415 639214109 /nfs/dbraw/zinc/21/41/09/639214109.db2.gz FPIYMQULHXTHQI-UHFFFAOYSA-N 0 3 262.397 2.193 20 30 CEEDHN CN(C)CCN(Cc1ccco1)C(=O)C#CC(C)(C)C ZINC000837462858 639239811 /nfs/dbraw/zinc/23/98/11/639239811.db2.gz GCFWVYYXSQNEHS-UHFFFAOYSA-N 0 3 276.380 2.219 20 30 CEEDHN C[C@@]1(CNCc2cc(C#N)cnc2Cl)CCOC1 ZINC000877038890 639469630 /nfs/dbraw/zinc/46/96/30/639469630.db2.gz AMBBCPVNTZGEFP-ZDUSSCGKSA-N 0 3 265.744 2.123 20 30 CEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](COC)CC(C)(C)C ZINC000876953665 650504431 /nfs/dbraw/zinc/50/44/31/650504431.db2.gz XBOUAUYTENPURH-WDEREUQCSA-N 0 3 276.808 2.024 20 30 CEEDHN C#Cc1ccc(CN2CCSC[C@@H](C(=O)OC)C2)cc1 ZINC000840978931 639608405 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C=CC[C@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)c1ccncc1 ZINC000841825107 639873114 /nfs/dbraw/zinc/87/31/14/639873114.db2.gz KYAMKXVYZCNKLV-IPYPFGDCSA-N 0 3 288.395 2.091 20 30 CEEDHN C=CCOCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000173967709 639886679 /nfs/dbraw/zinc/88/66/79/639886679.db2.gz QUSUSGCEJGUEGC-CQSZACIVSA-N 0 3 286.331 2.317 20 30 CEEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)c1cccc(F)c1 ZINC000173983220 639889403 /nfs/dbraw/zinc/88/94/03/639889403.db2.gz ZSQYAYKCXJYAOE-ZWNOBZJWSA-N 0 3 276.311 2.163 20 30 CEEDHN C#CC[C@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccccc1 ZINC000841865071 639890255 /nfs/dbraw/zinc/89/02/55/639890255.db2.gz JRWQJYCSNQUVFF-YCPHGPKFSA-N 0 3 285.391 2.143 20 30 CEEDHN C#CCCCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000174125454 639901096 /nfs/dbraw/zinc/90/10/96/639901096.db2.gz GSUKRSMPYSRNNK-OAHLLOKOSA-N 0 3 287.407 2.220 20 30 CEEDHN CC1(C)CCC(C)(NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000877034412 650540546 /nfs/dbraw/zinc/54/05/46/650540546.db2.gz HGFHKKRAXJLPOT-LBPRGKRZSA-N 0 3 265.401 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CEEDHN C=CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768447060 646123686 /nfs/dbraw/zinc/12/36/86/646123686.db2.gz LSIMOPGWPNBHAG-HNNXBMFYSA-N 0 3 275.348 2.216 20 30 CEEDHN C#CC[C@H]1CCN(Cc2cnnn2-c2ccccc2)C1 ZINC000862446559 646463347 /nfs/dbraw/zinc/46/33/47/646463347.db2.gz AJHWGMKXMVZFKZ-AWEZNQCLSA-N 0 3 266.348 2.113 20 30 CEEDHN C=C(Br)CNC(=O)C[C@@H](N)c1ccccc1 ZINC000118985235 646517432 /nfs/dbraw/zinc/51/74/32/646517432.db2.gz FTCKHDZZJFRRIJ-LLVKDONJSA-N 0 3 283.169 2.101 20 30 CEEDHN CN(CCc1cccc(C#N)c1)C(=O)[C@H]1CCCN1C1CC1 ZINC000863440218 646726363 /nfs/dbraw/zinc/72/63/63/646726363.db2.gz OKBXPROOMFUGGO-QGZVFWFLSA-N 0 3 297.402 2.186 20 30 CEEDHN CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[O-] ZINC000863856535 646836877 /nfs/dbraw/zinc/83/68/77/646836877.db2.gz BGOAMPJTVPCBKR-HUUCEWRRSA-N 0 3 276.380 2.286 20 30 CEEDHN CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[O-] ZINC000863856535 646836879 /nfs/dbraw/zinc/83/68/79/646836879.db2.gz BGOAMPJTVPCBKR-HUUCEWRRSA-N 0 3 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IOXUBLJSDQFGFO-CQSZACIVSA-N 0 3 261.369 2.245 20 30 CEEDHN CC1(C)CC(N=N[C@H]2CCOC2)CN1Cc1ccccc1 ZINC000788446787 648186538 /nfs/dbraw/zinc/18/65/38/648186538.db2.gz KZVXMBFYWZXVMZ-HNNXBMFYSA-N 0 3 287.407 2.405 20 30 CEEDHN C=CCCN(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789525053 648312795 /nfs/dbraw/zinc/31/27/95/648312795.db2.gz FNWZVTFJWXYXJH-OAHLLOKOSA-N 0 3 258.365 2.295 20 30 CEEDHN C#CCC(C)(C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000791058662 648477123 /nfs/dbraw/zinc/47/71/23/648477123.db2.gz CWVDFPFJGUQZAX-CYBMUJFWSA-N 0 3 264.413 2.273 20 30 CEEDHN CC(C)(C)C#CCOC(=O)C1CCN(C2CC2)CC1 ZINC000805962304 648555837 /nfs/dbraw/zinc/55/58/37/648555837.db2.gz PHGAMDVQFUAJEJ-UHFFFAOYSA-N 0 3 263.381 2.454 20 30 CEEDHN C=CCN(CCOC)Cc1cccc2nsnc21 ZINC000792406101 648644353 /nfs/dbraw/zinc/64/43/53/648644353.db2.gz GHLYXMPQAONHPZ-UHFFFAOYSA-N 0 3 263.366 2.326 20 30 CEEDHN C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ncccc2[O-])cc1 ZINC000793256223 648732067 /nfs/dbraw/zinc/73/20/67/648732067.db2.gz KZKDYFSYAGQPEG-GFCCVEGCSA-N 0 3 283.331 2.368 20 30 CEEDHN CCN(CC)c1ccc(C=NNCCCOC)cc1 ZINC000794539707 648880836 /nfs/dbraw/zinc/88/08/36/648880836.db2.gz MCDLYPZLSOWMBT-UHFFFAOYSA-N 0 3 263.385 2.493 20 30 CEEDHN Cc1cc(C)c(CC=CN=NC2=NCCN2)cc1C ZINC000872385656 649376353 /nfs/dbraw/zinc/37/63/53/649376353.db2.gz LDPYMVWTTZFHMX-NKHQWSBKSA-N 0 3 256.353 2.160 20 30 CEEDHN C=CC[C@@H](C)NCc1cn(Cc2ccc(OC)cc2)nn1 ZINC000873053172 649544907 /nfs/dbraw/zinc/54/49/07/649544907.db2.gz GFIXZUBZYFGXCM-CYBMUJFWSA-N 0 3 286.379 2.389 20 30 CEEDHN C[C@@H]1CN(C[C@@H]2CCCC(C)(C)O2)C[C@H](C)N1CC#N ZINC000878771403 651182503 /nfs/dbraw/zinc/18/25/03/651182503.db2.gz KFHZOBJRFCALCP-ZNMIVQPWSA-N 0 3 279.428 2.252 20 30 CEEDHN N#Cc1ccccc1NC1CCN(C[C@@H]2CCC(=O)O2)CC1 ZINC000878961947 651218883 /nfs/dbraw/zinc/21/88/83/651218883.db2.gz CBPGVWPAFLLFLP-HNNXBMFYSA-N 0 3 299.374 2.140 20 30 CEEDHN C#CCCCCCN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000879016207 651228918 /nfs/dbraw/zinc/22/89/18/651228918.db2.gz HVJZHGFSDKZOHL-DLBZAZTESA-N 0 3 299.418 2.030 20 30 CEEDHN COC(=O)C[C@](C)(NCC#Cc1ccc(F)cc1)C1CC1 ZINC000879442182 651304383 /nfs/dbraw/zinc/30/43/83/651304383.db2.gz NRQOTCGVGHMBNT-KRWDZBQOSA-N 0 3 289.350 2.499 20 30 CEEDHN C=CCN1CC[C@H](N[C@@H]2CC=CC[C@H]2C(F)(F)F)C1=O ZINC000879671245 651337794 /nfs/dbraw/zinc/33/77/94/651337794.db2.gz ATTWRYVDSQEUAU-UTUOFQBUSA-N 0 3 288.313 2.260 20 30 CEEDHN CC(C)(C#N)CCCCN1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880523252 651455037 /nfs/dbraw/zinc/45/50/37/651455037.db2.gz GICMRFPPUMAILD-ZIAGYGMSSA-N 0 3 277.412 2.307 20 30 CEEDHN C[C@H](N)c1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000881359739 651696991 /nfs/dbraw/zinc/69/69/91/651696991.db2.gz SZNLNRYALKPOLE-NSHDSACASA-N 0 3 269.352 2.147 20 30 CEEDHN CCN1CC[C@@H]1CNc1cccc(-n2cccn2)c1C#N ZINC000882959584 652290476 /nfs/dbraw/zinc/29/04/76/652290476.db2.gz KHJIQSOXROZXEN-CYBMUJFWSA-N 0 3 281.363 2.250 20 30 CEEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](CF)C2)CC1 ZINC000883342352 652436874 /nfs/dbraw/zinc/43/68/74/652436874.db2.gz UDAGRXAFCUFGJF-CYBMUJFWSA-N 0 3 283.391 2.028 20 30 CEEDHN N#Cc1ccc(CNC[C@@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000883366696 652446000 /nfs/dbraw/zinc/44/60/00/652446000.db2.gz YMVWOSYJRZBCQP-SNVBAGLBSA-N 0 3 294.223 2.206 20 30 CEEDHN C=C(C)C[C@@H](CO)NCc1cc(OC)c(OC)cc1OC ZINC000883401817 652457094 /nfs/dbraw/zinc/45/70/94/652457094.db2.gz ZFYPBBBXOFEKPA-ZDUSSCGKSA-N 0 3 295.379 2.129 20 30 CEEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc(F)c(F)c1)C2 ZINC000884046660 652657000 /nfs/dbraw/zinc/65/70/00/652657000.db2.gz MKWUFCXPXCGKCR-VOZQYIJBSA-N 0 3 291.301 2.043 20 30 CEEDHN Cc1ccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1F ZINC000884047481 652658270 /nfs/dbraw/zinc/65/82/70/652658270.db2.gz WLLWBBUKCYKFIY-BWBHSNQOSA-N 0 3 287.338 2.212 20 30 CEEDHN CCc1cccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)c1 ZINC000884047883 652659268 /nfs/dbraw/zinc/65/92/68/652659268.db2.gz OYUIYIBPSUYTTK-XOYHFGRZSA-N 0 3 283.375 2.327 20 30 CEEDHN CN(C(=O)C1CC2(C1)CNC[C@H]2C#N)C1CCCCCC1 ZINC000884062912 652685082 /nfs/dbraw/zinc/68/50/82/652685082.db2.gz GBUJSDKHJYJKKK-XOYHFGRZSA-N 0 3 289.423 2.307 20 30 CEEDHN Cc1ccc([C@@H](C)NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1 ZINC000884068660 652693513 /nfs/dbraw/zinc/69/35/13/652693513.db2.gz ZZTRQHKSNGZWDT-ZFRYHDOHSA-N 0 3 297.402 2.312 20 30 CEEDHN N#C[C@H]1CNCC12CC(C(=O)N(C1CC1)C1CCCC1)C2 ZINC000884075269 652696716 /nfs/dbraw/zinc/69/67/16/652696716.db2.gz SEUQYLJFZJGZJQ-JZLYGMAVSA-N 0 3 287.407 2.059 20 30 CEEDHN CC[C@@H]1CCC[C@H](NC(=O)C2CC3(C2)CNC[C@H]3C#N)C1 ZINC000884145017 652727397 /nfs/dbraw/zinc/72/73/97/652727397.db2.gz ZXMYZGLLMRSWTB-QVCPJDEESA-N 0 3 289.423 2.211 20 30 CEEDHN Cc1cccc2c1N(C(=O)C1CC3(C1)CNC[C@@H]3C#N)CC2 ZINC000884316643 652792463 /nfs/dbraw/zinc/79/24/63/652792463.db2.gz ZABYYQVMPXGMHS-CSLYMUCUSA-N 0 3 295.386 2.024 20 30 CEEDHN C#CCN1CCC(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000885604111 653029609 /nfs/dbraw/zinc/02/96/09/653029609.db2.gz RHGRXNFZZRBZHS-ZDUSSCGKSA-N 0 3 298.386 2.294 20 30 CEEDHN